smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ncc([N+](=O)[O-])c(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC001164626781 719073741 /nfs/dbraw/zinc/07/37/41/719073741.db2.gz PIORDQWIKYETBD-AEFFLSMTSA-N 1 0 353.426 2.794 20 5 FFBDRO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CC[NH+](CC(C)C)CC1 ZINC001164651776 719329728 /nfs/dbraw/zinc/32/97/28/719329728.db2.gz HNTUOKCPUXHSMW-UHFFFAOYSA-N 1 0 370.837 2.598 20 5 FFBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164723562 720350039 /nfs/dbraw/zinc/35/00/39/720350039.db2.gz HYBPQQIBCATRMQ-UONOGXRCSA-N 1 0 374.832 2.595 20 5 FFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCc3ncc(Br)n3C2)cc1 ZINC000898721269 735399141 /nfs/dbraw/zinc/39/91/41/735399141.db2.gz RWSMBUBYIRERGO-GFCCVEGCSA-N 1 0 365.231 2.701 20 5 FFBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCc3ncc(Br)n3C2)cs1 ZINC000898723520 735399628 /nfs/dbraw/zinc/39/96/28/735399628.db2.gz FZRPMRHWVZXFEO-VIFPVBQESA-N 1 0 357.233 2.720 20 5 FFBDRO C[C@H]1C[NH+](CCCNC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000043331373 727969202 /nfs/dbraw/zinc/96/92/02/727969202.db2.gz WNDKRKMYZGXEEE-RYUDHWBXSA-N 1 0 370.837 2.869 20 5 FFBDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000746570868 735494756 /nfs/dbraw/zinc/49/47/56/735494756.db2.gz SJZXGXQYPJDDQW-CQSZACIVSA-N 1 0 369.849 2.821 20 5 FFBDRO CC[N@H+](CCNc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])C(C)C ZINC000110483201 728531950 /nfs/dbraw/zinc/53/19/50/728531950.db2.gz VZVYXTRJDFCERP-UHFFFAOYSA-N 1 0 365.402 2.733 20 5 FFBDRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000112681453 728547448 /nfs/dbraw/zinc/54/74/48/728547448.db2.gz OYBNEORFIQHGOQ-CYBMUJFWSA-N 1 0 370.837 2.607 20 5 FFBDRO C[NH+](C)CC[C@@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(C)(C)C ZINC000116129298 728569653 /nfs/dbraw/zinc/56/96/53/728569653.db2.gz YGFREOIXCABYJO-CQSZACIVSA-N 1 0 352.391 2.599 20 5 FFBDRO C[C@@H](NS(=O)(=O)c1csc([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000120308253 728609647 /nfs/dbraw/zinc/60/96/47/728609647.db2.gz IFHZWWMZUHARGS-VXGBXAGGSA-N 1 0 373.500 2.588 20 5 FFBDRO Cc1sc(S(=O)(=O)Oc2cccc(-n3ccnc3)c2)cc1[N+](=O)[O-] ZINC000124191294 728667535 /nfs/dbraw/zinc/66/75/35/728667535.db2.gz HMDQFBHZLJNBIN-UHFFFAOYSA-N 1 0 365.392 2.918 20 5 FFBDRO Cc1c(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000137105063 728740109 /nfs/dbraw/zinc/74/01/09/728740109.db2.gz JTMVKBSLDURSDR-LBPRGKRZSA-N 1 0 352.391 2.518 20 5 FFBDRO COc1cc(C[N@H+](C)CC2(O)CCCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000152153785 728748778 /nfs/dbraw/zinc/74/87/78/728748778.db2.gz LWMRHHNMMASIHH-UHFFFAOYSA-N 1 0 360.357 2.942 20 5 FFBDRO O=[N+]([O-])c1ccc(Cl)cc1CN1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000174858470 729081496 /nfs/dbraw/zinc/08/14/96/729081496.db2.gz HOSGBHKBGAJQRZ-AWEZNQCLSA-N 1 0 353.850 2.792 20 5 FFBDRO O=[N+]([O-])c1cncc(Br)c1N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000232477854 729552305 /nfs/dbraw/zinc/55/23/05/729552305.db2.gz LDFVUMMTKUTNHV-GFCCVEGCSA-N 1 0 355.236 2.721 20 5 FFBDRO COCC[NH+]1CCC(Nc2cccc(Br)c2[N+](=O)[O-])CC1 ZINC000856725212 730350344 /nfs/dbraw/zinc/35/03/44/730350344.db2.gz FSKPYPGNYQVOBK-UHFFFAOYSA-N 1 0 358.236 2.880 20 5 FFBDRO COC1CC[NH+](CCNc2cccc(Br)c2[N+](=O)[O-])CC1 ZINC000856735037 730352039 /nfs/dbraw/zinc/35/20/39/730352039.db2.gz XAGRFHFSULBUGW-UHFFFAOYSA-N 1 0 358.236 2.880 20 5 FFBDRO C[C@H]1CN(c2cccc(Br)c2[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC000856744104 730353337 /nfs/dbraw/zinc/35/33/37/730353337.db2.gz GUVJLAHDAZJVHY-NSHDSACASA-N 1 0 372.263 2.639 20 5 FFBDRO CC[NH+](CC)CC[C@@H](CO)Nc1cccc(Br)c1[N+](=O)[O-] ZINC000856749629 730354310 /nfs/dbraw/zinc/35/43/10/730354310.db2.gz WHKLQXCPAXNHIB-NSHDSACASA-N 1 0 360.252 2.862 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000860313468 730501077 /nfs/dbraw/zinc/50/10/77/730501077.db2.gz YZNQFVKHCFDRLZ-ZLDLUXBVSA-N 1 0 367.833 2.572 20 5 FFBDRO CCN(C(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000861894736 730651319 /nfs/dbraw/zinc/65/13/19/730651319.db2.gz JEADTXZXVFXNRR-GFCCVEGCSA-N 1 0 369.849 2.958 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])c(N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)cc1Cl ZINC000866205019 731040585 /nfs/dbraw/zinc/04/05/85/731040585.db2.gz IUDIKVAHRIGUDD-GXFFZTMASA-N 1 0 353.806 2.565 20 5 FFBDRO O=[N+]([O-])c1cc(CN2CCC[C@H]3C[NH2+]CC[C@H]32)ccc1Br ZINC000866717767 731090757 /nfs/dbraw/zinc/09/07/57/731090757.db2.gz OTWLKAQDJPHOOP-GXTWGEPZSA-N 1 0 354.248 2.931 20 5 FFBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1CC[C@H](C(=O)N(C)C)O1 ZINC000872052688 731724390 /nfs/dbraw/zinc/72/43/90/731724390.db2.gz GDXYWVYTFJFZKV-CORIIIEPSA-N 1 0 367.471 2.603 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@@H](CO)c2ccc(Cl)cc2)cc1 ZINC000872246955 731745582 /nfs/dbraw/zinc/74/55/82/731745582.db2.gz HZLULWPYYIAWAM-YOEHRIQHSA-N 1 0 350.802 2.647 20 5 FFBDRO O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000873315046 731900705 /nfs/dbraw/zinc/90/07/05/731900705.db2.gz ZXLYVIUNVNATQB-GXTWGEPZSA-N 1 0 369.219 2.763 20 5 FFBDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000874825155 732104003 /nfs/dbraw/zinc/10/40/03/732104003.db2.gz WZQRPJNHULKEAN-NWDGAFQWSA-N 1 0 368.231 2.666 20 5 FFBDRO COCCN(CC1CC[NH+](C)CC1)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000876161286 732219838 /nfs/dbraw/zinc/21/98/38/732219838.db2.gz BIKNLHRLQNAVED-UHFFFAOYSA-N 1 0 369.849 2.679 20 5 FFBDRO CC(C)[NH+]1CCN(Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CC1 ZINC000877929521 732453888 /nfs/dbraw/zinc/45/38/88/732453888.db2.gz GMAJYBSPCKLMBW-UHFFFAOYSA-N 1 0 365.821 2.824 20 5 FFBDRO C[NH+](C)C[C@@H]1CCN(Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC000878104955 732482876 /nfs/dbraw/zinc/48/28/76/732482876.db2.gz SQOVXISPYHFRKZ-NSHDSACASA-N 1 0 365.821 2.682 20 5 FFBDRO CC[N@@H+]1CCN(Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C[C@@H]1C ZINC000878297884 732511324 /nfs/dbraw/zinc/51/13/24/732511324.db2.gz BLPRISWPYGLCTN-NSHDSACASA-N 1 0 365.821 2.824 20 5 FFBDRO CC(C)[C@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])[C@@H](O)c1ccc(Cl)cc1 ZINC000878996900 732628934 /nfs/dbraw/zinc/62/89/34/732628934.db2.gz QCLKHAOSOBJGFF-GJZGRUSLSA-N 1 0 352.822 2.830 20 5 FFBDRO C[C@@](CO)([NH2+]C[C@H](O)c1cccc(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000879272944 732676656 /nfs/dbraw/zinc/67/66/56/732676656.db2.gz FOUCORCMPRWESP-IRXDYDNUSA-N 1 0 350.802 2.779 20 5 FFBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000879563080 732724418 /nfs/dbraw/zinc/72/44/18/732724418.db2.gz QGCXSGGKWFGBFE-OLZOCXBDSA-N 1 0 363.439 2.578 20 5 FFBDRO COCC[N@H+](Cc1ccc(Br)cc1[N+](=O)[O-])C1CCOCC1 ZINC000879710551 732756747 /nfs/dbraw/zinc/75/67/47/732756747.db2.gz BRUWWBJQERLLHP-UHFFFAOYSA-N 1 0 373.247 2.985 20 5 FFBDRO CC[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000880469242 732912006 /nfs/dbraw/zinc/91/20/06/732912006.db2.gz UOWIZCUNXONZEV-AAEUAGOBSA-N 1 0 355.822 2.982 20 5 FFBDRO CN(C)[C@H](CC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)C(F)(F)F ZINC000926964510 738675095 /nfs/dbraw/zinc/67/50/95/738675095.db2.gz RTEBACBLKFFBBR-YNEHKIRRSA-N 1 0 363.384 2.747 20 5 FFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]Cc2nc3c(s2)COCC3)n1 ZINC000927117191 738692726 /nfs/dbraw/zinc/69/27/26/738692726.db2.gz KJJFSOQFWGVZCP-AAEUAGOBSA-N 1 0 363.443 2.594 20 5 FFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H](O)C(F)(F)C(F)(F)F ZINC000883362672 733373811 /nfs/dbraw/zinc/37/38/11/733373811.db2.gz KWHSWHLNUHCFPV-RDDDGLTNSA-N 1 0 360.254 2.813 20 5 FFBDRO COc1cc(CN(CC[NH3+])CC(F)(F)F)c([N+](=O)[O-])cc1OC(F)F ZINC000883445079 733385975 /nfs/dbraw/zinc/38/59/75/733385975.db2.gz GNLUEZLZEQCMMK-UHFFFAOYSA-N 1 0 373.278 2.528 20 5 FFBDRO O=C(CC[N@@H+]1CCC[C@H]2COCC[C@@H]21)Nc1cc([N+](=O)[O-])ccc1F ZINC000782510387 738728801 /nfs/dbraw/zinc/72/88/01/738728801.db2.gz HTLDPQVDFXYEGH-LRDDRELGSA-N 1 0 351.378 2.563 20 5 FFBDRO O=C(CC[NH+]1CCC2(CCOC2)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000782525006 738730753 /nfs/dbraw/zinc/73/07/53/738730753.db2.gz RQRGLWKTTCTGEC-UHFFFAOYSA-N 1 0 351.378 2.565 20 5 FFBDRO COC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC(C)C)[C@@H]1CCCOC1 ZINC000886907524 733855609 /nfs/dbraw/zinc/85/56/09/733855609.db2.gz DRZNXKYUGAELMF-RHSMWYFYSA-N 1 0 352.431 2.913 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2nc(-c3cn(C4CC[NH2+]CC4)nn3)cs2)c1 ZINC000887407734 733924779 /nfs/dbraw/zinc/92/47/79/733924779.db2.gz PXIAAQCDQRPKHE-UHFFFAOYSA-N 1 0 356.411 2.901 20 5 FFBDRO CCOc1cc(NC(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000888834532 734103760 /nfs/dbraw/zinc/10/37/60/734103760.db2.gz KVGOKEPDGQTUND-CYBMUJFWSA-N 1 0 350.419 2.845 20 5 FFBDRO CCOc1cc(NC(=O)NC[C@@]2([NH+](C)C)CCSC2)ccc1[N+](=O)[O-] ZINC000888832892 734103802 /nfs/dbraw/zinc/10/38/02/734103802.db2.gz RNYCOUHABBKZLZ-INIZCTEOSA-N 1 0 368.459 2.552 20 5 FFBDRO CCOc1cc(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000888834674 734103867 /nfs/dbraw/zinc/10/38/67/734103867.db2.gz NIEWIYQRLGJVBB-JSGCOSHPSA-N 1 0 350.419 2.940 20 5 FFBDRO CSC1(CNC(=O)c2c(C)c(C)ccc2[N+](=O)[O-])CC[NH+](C)CC1 ZINC000891017964 734368620 /nfs/dbraw/zinc/36/86/20/734368620.db2.gz FPVXTSBIBQTTEA-UHFFFAOYSA-N 1 0 351.472 2.769 20 5 FFBDRO C[C@]1(NC(=O)c2cc([N+](=O)[O-])ccc2Br)C[NH+]2CCC1CC2 ZINC000892783813 734603162 /nfs/dbraw/zinc/60/31/62/734603162.db2.gz DAWHWVZDVZGAOY-HNNXBMFYSA-N 1 0 368.231 2.571 20 5 FFBDRO C[C@@H](NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000928244930 738844315 /nfs/dbraw/zinc/84/43/15/738844315.db2.gz GTLUGNIOYIWIQO-CXAGYDPISA-N 1 0 363.483 2.990 20 5 FFBDRO C[C@H]1CCC[N@@H+]1CCNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000783920752 738849216 /nfs/dbraw/zinc/84/92/16/738849216.db2.gz OJSVAZVDCJKTSZ-JTQLQIEISA-N 1 0 356.220 2.571 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C[C@H]1CS(=O)(=O)c2ccccc21 ZINC000894661707 734897671 /nfs/dbraw/zinc/89/76/71/734897671.db2.gz QHIBBSBOYCUMLL-LBPRGKRZSA-N 1 0 366.826 2.909 20 5 FFBDRO COc1cc(C[NH2+]C[C@H]2C[C@H](OC)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000895540370 735021463 /nfs/dbraw/zinc/02/14/63/735021463.db2.gz VQYUURHYXSPKTO-UMSPYCQHSA-N 1 0 360.357 2.762 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)NCC[N@@H+]2CCC[C@H]2C)cc1SC ZINC000742241193 735213978 /nfs/dbraw/zinc/21/39/78/735213978.db2.gz XTGOBQIQTWRCCI-LLVKDONJSA-N 1 0 353.444 2.539 20 5 FFBDRO O=[N+]([O-])c1cc(C[NH2+]CC2(OCCO)CCC(C(F)F)CC2)cs1 ZINC000897539901 735244885 /nfs/dbraw/zinc/24/48/85/735244885.db2.gz ZHGOWAOQYRWEET-UHFFFAOYSA-N 1 0 364.414 2.949 20 5 FFBDRO O=C(c1cc(Cl)c(F)c([N+](=O)[O-])c1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000900007867 735587764 /nfs/dbraw/zinc/58/77/64/735587764.db2.gz TZSXBAHSCXVOMF-UHFFFAOYSA-N 1 0 364.764 2.745 20 5 FFBDRO Cc1c(Br)c(N2CCC[C@@H](C[NH+](C)C)C2)ncc1[N+](=O)[O-] ZINC000754033674 736117679 /nfs/dbraw/zinc/11/76/79/736117679.db2.gz ZGNWJQXSDHVIET-NSHDSACASA-N 1 0 357.252 2.839 20 5 FFBDRO CC[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000755036488 736228214 /nfs/dbraw/zinc/22/82/14/736228214.db2.gz XMGCQWZOWKJFLO-SNVBAGLBSA-N 1 0 371.235 2.821 20 5 FFBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H](O)CCC2(O)CCC2)cc(C(F)(F)F)c1 ZINC000905238382 736316119 /nfs/dbraw/zinc/31/61/19/736316119.db2.gz PZUBQIUNZORRNO-AWEZNQCLSA-N 1 0 362.348 2.759 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CC[C@H]2CCCC2(F)F)cc1 ZINC000905423197 736339260 /nfs/dbraw/zinc/33/92/60/736339260.db2.gz MOEDDDDOMUSFNU-GFCCVEGCSA-N 1 0 362.398 2.784 20 5 FFBDRO C[C@H](CNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)[NH+]1CCCCC1 ZINC000756951853 736376323 /nfs/dbraw/zinc/37/63/23/736376323.db2.gz XBUCISWWSHLQBC-GFCCVEGCSA-N 1 0 354.838 2.922 20 5 FFBDRO CN(C(=O)NCc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000757262649 736399384 /nfs/dbraw/zinc/39/93/84/736399384.db2.gz PHPMWWGUEZUGEF-AWEZNQCLSA-N 1 0 352.822 2.626 20 5 FFBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@H](C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000761051164 736690627 /nfs/dbraw/zinc/69/06/27/736690627.db2.gz UWJSSXRCHOGGDO-JTQLQIEISA-N 1 0 361.320 2.816 20 5 FFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](O)COc2cccc(F)c2)cc1Cl ZINC000761523037 736742699 /nfs/dbraw/zinc/74/26/99/736742699.db2.gz PUCIKENGGOJQMO-ZDUSSCGKSA-N 1 0 354.765 2.917 20 5 FFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)OCCC[NH+]1CCCC1 ZINC000800180940 740497788 /nfs/dbraw/zinc/49/77/88/740497788.db2.gz CMXBDQHSVMAWDU-UHFFFAOYSA-N 1 0 371.231 2.929 20 5 FFBDRO CC[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)[C@@H](C)C1 ZINC000910285296 737053331 /nfs/dbraw/zinc/05/33/31/737053331.db2.gz XDKHXKAAVPVQTK-NSHDSACASA-N 1 0 357.357 2.753 20 5 FFBDRO Cc1c(C[NH+]2CCC(C(=O)Nc3nncs3)CC2)cccc1[N+](=O)[O-] ZINC000917158644 737744136 /nfs/dbraw/zinc/74/41/36/737744136.db2.gz MXTYHCREMXKOCJ-UHFFFAOYSA-N 1 0 361.427 2.605 20 5 FFBDRO CC[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000771756897 737752872 /nfs/dbraw/zinc/75/28/72/737752872.db2.gz SSPSDQGZUZGQHQ-ZDUSSCGKSA-N 1 0 373.450 2.585 20 5 FFBDRO C[C@H](CCCC(F)(F)F)[NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000775507232 738098289 /nfs/dbraw/zinc/09/82/89/738098289.db2.gz JCZBPEKWGIPBRB-LERXQTSPSA-N 1 0 350.337 2.700 20 5 FFBDRO C[C@H](C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)N1CCc2sccc2C1 ZINC000776273765 738176744 /nfs/dbraw/zinc/17/67/44/738176744.db2.gz ADWOXEVOSKFOLK-DYVFJYSZSA-N 1 0 361.467 2.726 20 5 FFBDRO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000922868685 738211822 /nfs/dbraw/zinc/21/18/22/738211822.db2.gz GIZSDAILVIDVFG-UHFFFAOYSA-N 1 0 367.833 2.621 20 5 FFBDRO O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CCC([NH2+]C2CCOCC2)CC1 ZINC000922870257 738212285 /nfs/dbraw/zinc/21/22/85/738212285.db2.gz HJVBZJUJDUODQE-UHFFFAOYSA-N 1 0 367.833 2.621 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000923298434 738267319 /nfs/dbraw/zinc/26/73/19/738267319.db2.gz CKLLBHJYVLUOEE-YUTCNCBUSA-N 1 0 367.833 2.711 20 5 FFBDRO CC1CC[NH+](CCCNC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000778220716 738364876 /nfs/dbraw/zinc/36/48/76/738364876.db2.gz AAWFDHITLHQFIR-UHFFFAOYSA-N 1 0 355.385 2.925 20 5 FFBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000929093065 738942612 /nfs/dbraw/zinc/94/26/12/738942612.db2.gz YHKQOPWHVYXDCR-ZDUSSCGKSA-N 1 0 350.419 2.799 20 5 FFBDRO Nc1cc[nH+]c2c1CN(Cc1cc([N+](=O)[O-])ccc1Br)CC2 ZINC000931516902 739278713 /nfs/dbraw/zinc/27/87/13/739278713.db2.gz QZWIUVQEBOWKTR-UHFFFAOYSA-N 1 0 363.215 2.893 20 5 FFBDRO COC(=O)N1CCC([C@@H](C)[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000788762450 739281139 /nfs/dbraw/zinc/28/11/39/739281139.db2.gz GZEDOSJOELBKCE-VXGBXAGGSA-N 1 0 350.419 2.695 20 5 FFBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000931724389 739318134 /nfs/dbraw/zinc/31/81/34/739318134.db2.gz AOWLJYGAVQQNRH-BZPMIXESSA-N 1 0 366.849 2.744 20 5 FFBDRO COC[C@H]([NH2+]Cc1c(Br)cccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000931754721 739324167 /nfs/dbraw/zinc/32/41/67/739324167.db2.gz KZYMXCQQUNODFY-RISCZKNCSA-N 1 0 373.247 2.889 20 5 FFBDRO C[NH+](C)Cc1ccc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000790006778 739405228 /nfs/dbraw/zinc/40/52/28/739405228.db2.gz KQPQZMBECAJTPW-UHFFFAOYSA-N 1 0 354.359 2.563 20 5 FFBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@H]2CCOc3ccc(Br)cc32)c1 ZINC000932206460 739405262 /nfs/dbraw/zinc/40/52/62/739405262.db2.gz LHQJFHGMIIXSEM-ZDUSSCGKSA-N 1 0 367.203 2.667 20 5 FFBDRO CC(C)C[N@@H+]1CCO[C@@H](COC(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000791119952 739531459 /nfs/dbraw/zinc/53/14/59/739531459.db2.gz UMNSKZAYYSLEEG-OAHLLOKOSA-N 1 0 368.455 2.587 20 5 FFBDRO CC[NH+](CC)[C@H]1CCN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)C1 ZINC000933794839 739690877 /nfs/dbraw/zinc/69/08/77/739690877.db2.gz SENOROLNGJXVOE-VIFPVBQESA-N 1 0 358.801 2.526 20 5 FFBDRO O=C(CC[N@@H+]1CC[C@H](Cc2nccs2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000934331198 739766126 /nfs/dbraw/zinc/76/61/26/739766126.db2.gz ZANSBOJMPHEPKT-CYBMUJFWSA-N 1 0 360.439 2.945 20 5 FFBDRO CCNC(=O)OC[C@H]1CCCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000796163891 740110157 /nfs/dbraw/zinc/11/01/57/740110157.db2.gz REIUTKXXDBMXDU-OAHLLOKOSA-N 1 0 351.403 2.574 20 5 FFBDRO C[N@H+](CCCNC(=O)c1cc([N+](=O)[O-])c(F)cc1N)C1CCCCC1 ZINC000801808278 740653494 /nfs/dbraw/zinc/65/34/94/740653494.db2.gz QYSQWPDKZVQNJV-UHFFFAOYSA-N 1 0 352.410 2.701 20 5 FFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@H]2O)cc1Cl ZINC000802659523 740716129 /nfs/dbraw/zinc/71/61/29/740716129.db2.gz IMWZXMVHTZIKTD-BBRMVZONSA-N 1 0 354.834 2.906 20 5 FFBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000807748234 741153538 /nfs/dbraw/zinc/15/35/38/741153538.db2.gz QLWAWSRPDYQBHA-NSHDSACASA-N 1 0 370.247 2.962 20 5 FFBDRO CC[NH+](CC)CCS(=O)(=O)Oc1cc(C)c([N+](=O)[O-])cc1Cl ZINC000810079992 741382786 /nfs/dbraw/zinc/38/27/86/741382786.db2.gz UCEBCPKYBGLLQZ-UHFFFAOYSA-N 1 0 350.824 2.607 20 5 FFBDRO CCC[N@H+](CC)C[C@H](C)NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000810121247 741389704 /nfs/dbraw/zinc/38/97/04/741389704.db2.gz TWQNTHRGHZWFGL-NSHDSACASA-N 1 0 363.867 2.647 20 5 FFBDRO COc1cc(NCC2(SC)CC[NH+](C)CC2)c([N+](=O)[O-])cc1OC ZINC000811854443 741567671 /nfs/dbraw/zinc/56/76/71/741567671.db2.gz KPHSQQPPQRMFBK-UHFFFAOYSA-N 1 0 355.460 2.851 20 5 FFBDRO C[C@@H](C[N+](=O)[O-])OC(=O)c1ccccc1OCC[N@@H+]1CCCC[C@H]1C ZINC000814045107 741787797 /nfs/dbraw/zinc/78/77/97/741787797.db2.gz MTIWIMDSXLCWFA-CABCVRRESA-N 1 0 350.415 2.762 20 5 FFBDRO CC(C)[C@H](O)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000814622600 741851050 /nfs/dbraw/zinc/85/10/50/741851050.db2.gz XZQVKDOLMRRGIU-OAHLLOKOSA-N 1 0 361.364 2.753 20 5 FFBDRO C[N@@H+]1CCC[C@]2(CCN(CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)C2)C1 ZINC000815145233 741906933 /nfs/dbraw/zinc/90/69/33/741906933.db2.gz PUTUSNXMFFOGIK-KRWDZBQOSA-N 1 0 366.849 2.604 20 5 FFBDRO CCOC(=O)N[C@@H](C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)CC(C)C ZINC000815557099 741945227 /nfs/dbraw/zinc/94/52/27/741945227.db2.gz MEVIHFMSBCBZBY-GXTWGEPZSA-N 1 0 352.435 2.988 20 5 FFBDRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000818010978 742229771 /nfs/dbraw/zinc/22/97/71/742229771.db2.gz SEGBKWUTVOHOIW-GOEBONIOSA-N 1 0 367.833 2.607 20 5 FFBDRO COCC(C)(C)[NH+]1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1 ZINC000819943847 742447712 /nfs/dbraw/zinc/44/77/12/742447712.db2.gz UIJDISSRQBXXMM-UHFFFAOYSA-N 1 0 350.444 2.752 20 5 FFBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000824515163 743097027 /nfs/dbraw/zinc/09/70/27/743097027.db2.gz FHWDTQBYTMQZSG-GFCCVEGCSA-N 1 0 366.826 2.909 20 5 FFBDRO Cn1ccnc1[C@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CCO1 ZINC000825325592 743248618 /nfs/dbraw/zinc/24/86/18/743248618.db2.gz FWXAPLLSMXBGAV-UKRRQHHQSA-N 1 0 350.806 2.992 20 5 FFBDRO CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[NH+](CCC2CCCCCC2)CC1 ZINC001045437696 743274920 /nfs/dbraw/zinc/27/49/20/743274920.db2.gz YZFJSEXMMWINOB-IAGOWNOFSA-N 1 0 351.491 2.983 20 5 FFBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000827286691 743548543 /nfs/dbraw/zinc/54/85/43/743548543.db2.gz HXMGZOPXZXTHMY-YPMHNXCESA-N 1 0 369.874 2.893 20 5 FFBDRO O=[N+]([O-])c1ccc(Br)cc1NC[C@H]1CCC[N@H+]1CCCO ZINC000828420518 745064835 /nfs/dbraw/zinc/06/48/35/745064835.db2.gz CPYGIYNKLKKWRE-GFCCVEGCSA-N 1 0 358.236 2.616 20 5 FFBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2c(F)c(C)cc([N+](=O)[O-])c2F)C1 ZINC000829160665 745174320 /nfs/dbraw/zinc/17/43/20/745174320.db2.gz FGHCQKDFTUSREP-GFCCVEGCSA-N 1 0 355.385 2.985 20 5 FFBDRO Cc1cc([C@@H]([NH3+])CC(=O)NCCc2ccccc2[N+](=O)[O-])cc(Cl)n1 ZINC000830591975 745389730 /nfs/dbraw/zinc/38/97/30/745389730.db2.gz PQQMHJOMWZASIA-AWEZNQCLSA-N 1 0 362.817 2.700 20 5 FFBDRO C[NH+](C)CCCC(C)(C)NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000832297966 745674273 /nfs/dbraw/zinc/67/42/73/745674273.db2.gz HPNQOQQJNPCJLF-UHFFFAOYSA-N 1 0 363.867 2.647 20 5 FFBDRO CCO[C@@H]1CCCC[C@H]1[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000832628923 745729110 /nfs/dbraw/zinc/72/91/10/745729110.db2.gz KUTJDPFIOFVNEZ-GDBMZVCRSA-N 1 0 353.394 3.000 20 5 FFBDRO CC(C)[N@@H+]1CCCC[C@@H]1COC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000837478192 746455428 /nfs/dbraw/zinc/45/54/28/746455428.db2.gz XFOZIULXLLIZGQ-CYBMUJFWSA-N 1 0 354.378 2.919 20 5 FFBDRO CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)OCCC[NH+]1CCCC1 ZINC000838058377 746567827 /nfs/dbraw/zinc/56/78/27/746567827.db2.gz ONFMEQKCOCWLSB-UHFFFAOYSA-N 1 0 369.805 2.849 20 5 FFBDRO Cc1c([N+](=O)[O-])cc(C(=O)NC(C)(C)CCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000839412402 746824003 /nfs/dbraw/zinc/82/40/03/746824003.db2.gz NMSLHKWTRRNCNT-UHFFFAOYSA-N 1 0 352.391 2.662 20 5 FFBDRO CC(C)[C@@](C)(C[NH3+])NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841160281 747283775 /nfs/dbraw/zinc/28/37/75/747283775.db2.gz BOUIPNPXVFGJND-CYBMUJFWSA-N 1 0 359.224 2.852 20 5 FFBDRO CC(C)C[C@@H](C[NH3+])NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841160637 747283836 /nfs/dbraw/zinc/28/38/36/747283836.db2.gz CXHWDSCHFVEZGK-JTQLQIEISA-N 1 0 359.224 2.852 20 5 FFBDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841162329 747285046 /nfs/dbraw/zinc/28/50/46/747285046.db2.gz UHFITHTWQKREMB-RKDXNWHRSA-N 1 0 357.208 2.558 20 5 FFBDRO CN(CC(C)(C)C[NH3+])C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841162298 747285126 /nfs/dbraw/zinc/28/51/26/747285126.db2.gz SUZDWRGWVLIJIZ-UHFFFAOYSA-N 1 0 359.224 2.806 20 5 FFBDRO CCCC[C@H](C[NH3+])NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841162631 747285281 /nfs/dbraw/zinc/28/52/81/747285281.db2.gz YGWDZMPNFVPLLJ-SNVBAGLBSA-N 1 0 359.224 2.996 20 5 FFBDRO C[NH2+]C(C)(C)CNC(=O)N[C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC000841754869 747450502 /nfs/dbraw/zinc/45/05/02/747450502.db2.gz NBCFTMFDSGQQOK-LLVKDONJSA-N 1 0 366.315 2.635 20 5 FFBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000843379701 747821152 /nfs/dbraw/zinc/82/11/52/747821152.db2.gz JMBGHEDNVZFAAF-SJCJKPOMSA-N 1 0 366.849 2.651 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+]CC[C@]2(C)C[C@]2(F)Cl)cc1[N+](=O)[O-] ZINC000846030868 748389200 /nfs/dbraw/zinc/38/92/00/748389200.db2.gz DVTDRHQBDAVIMK-HZPDHXFCSA-N 1 0 374.796 2.941 20 5 FFBDRO C[C@@H]1COCC[N@@H+]1C1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000846914171 748573446 /nfs/dbraw/zinc/57/34/46/748573446.db2.gz YEMRTFNXXMCTQH-CYBMUJFWSA-N 1 0 353.850 2.933 20 5 FFBDRO O=[N+]([O-])c1cc(CN2CCC[C@@H]([NH+]3CCOCC3)CC2)ccc1Cl ZINC000848930043 749037659 /nfs/dbraw/zinc/03/76/59/749037659.db2.gz MUVZDUJIIMPMEE-OAHLLOKOSA-N 1 0 353.850 2.935 20 5 FFBDRO CCOC(=O)NC1CCC([NH2+]CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000850443598 749365682 /nfs/dbraw/zinc/36/56/82/749365682.db2.gz RPSRPIPLYRGPTO-UHFFFAOYSA-N 1 0 351.403 2.621 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000850592429 749392828 /nfs/dbraw/zinc/39/28/28/749392828.db2.gz QNSBQYJVJVRRGS-LLVKDONJSA-N 1 0 373.862 2.510 20 5 FFBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1CN1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000852707357 749930318 /nfs/dbraw/zinc/93/03/18/749930318.db2.gz GSDTVRMQQOCIRE-CQSZACIVSA-N 1 0 374.268 2.933 20 5 FFBDRO CCC(CC)[C@H](CNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2)[NH+](C)C ZINC000853136235 750015389 /nfs/dbraw/zinc/01/53/89/750015389.db2.gz YPOLSPGHNDQMHU-HNNXBMFYSA-N 1 0 350.419 2.704 20 5 FFBDRO Cc1c(CO)cc([N+](=O)[O-])c(NC[C@H]2CC[N@@H+]2C(C)(C)C)c1[N+](=O)[O-] ZINC000853747431 750151755 /nfs/dbraw/zinc/15/17/55/750151755.db2.gz RANMOSXGJPQIBS-GFCCVEGCSA-N 1 0 352.391 2.588 20 5 FFBDRO C[C@H]1COCC[N@@H+]1C1CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000854569205 750330875 /nfs/dbraw/zinc/33/08/75/750330875.db2.gz IPCKVGOVNAYYPH-LBPRGKRZSA-N 1 0 367.833 2.574 20 5 FFBDRO C[C@@H](C[N@H+](C)Cc1ccccc1)Nc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000824414165 946699932 /nfs/dbraw/zinc/69/99/32/946699932.db2.gz VXWZSRUILTUQOR-ZDUSSCGKSA-N 1 0 367.413 2.707 20 5 FFBDRO Cn1ncc([N+](=O)[O-])c1N1CCC(c2ccccc2)([NH+]2CCCC2)CC1 ZINC000896838876 971829928 /nfs/dbraw/zinc/82/99/28/971829928.db2.gz SFCNFDOGBUIQKN-UHFFFAOYSA-N 1 0 355.442 2.920 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H](CO)c2cccc(C(F)(F)F)c2)c1 ZINC000872217094 1013182783 /nfs/dbraw/zinc/18/27/83/1013182783.db2.gz MZJYCYXBIJDIMO-HZPDHXFCSA-N 1 0 370.327 2.970 20 5 FFBDRO O=[N+]([O-])c1cc(C(F)(F)n2ccnc2[C@H]2CCC[NH2+]C2)cnc1Cl ZINC001167056035 959136203 /nfs/dbraw/zinc/13/62/03/959136203.db2.gz NRONQMHZOZUGHX-VIFPVBQESA-N 1 0 357.748 2.904 20 5 FFBDRO CCCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC[NH+](Cc2csc(C)c2)CC1 ZINC001266386622 960195828 /nfs/dbraw/zinc/19/58/28/960195828.db2.gz LVDIYJVBZQMNAD-IAGOWNOFSA-N 1 0 365.499 2.925 20 5 FFBDRO CC[C@@H]1CO[C@](C)(CCC(C)C)N1c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001167133101 960223157 /nfs/dbraw/zinc/22/31/57/960223157.db2.gz SVZJEQFGSZCHNX-RDTXWAMCSA-N 1 0 363.462 2.839 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](OC3CCC3)CC2)c1 ZINC000872274724 1013195700 /nfs/dbraw/zinc/19/57/00/1013195700.db2.gz APKZNZULFQRJTK-SJLPKXTDSA-N 1 0 364.442 2.758 20 5 FFBDRO O=C(CCN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000134942893 960542790 /nfs/dbraw/zinc/54/27/90/960542790.db2.gz GEZRZMHTPNXOPD-CRAIPNDOSA-N 1 0 372.469 2.872 20 5 FFBDRO O=C(C[N@@H+]1CCC[C@H](OC2CCC2)CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000872280603 1013198365 /nfs/dbraw/zinc/19/83/65/1013198365.db2.gz RYLIQYQUHPMEGT-SFHVURJKSA-N 1 0 373.453 2.908 20 5 FFBDRO CCOC(=O)c1c[nH]nc1[C@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC001174964779 1013355086 /nfs/dbraw/zinc/35/50/86/1013355086.db2.gz HOYHTNMAXQORLR-AWEZNQCLSA-N 1 0 358.398 2.527 20 5 FFBDRO CN(C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H]1CCC[N@H+](C)C1 ZINC000894477400 965404762 /nfs/dbraw/zinc/40/47/62/965404762.db2.gz PYFSUVKYHMQBHT-CYBMUJFWSA-N 1 0 374.363 2.849 20 5 FFBDRO COc1c(O)ccc(C[NH2+][C@@H]2CCN(c3ccccc3F)C2)c1[N+](=O)[O-] ZINC000894591697 965500989 /nfs/dbraw/zinc/50/09/89/965500989.db2.gz UHIWIRCAVIRKRG-CYBMUJFWSA-N 1 0 361.373 2.817 20 5 FFBDRO COc1c(O)ccc(C[NH+]2CCC(CO)(c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000894605456 965505633 /nfs/dbraw/zinc/50/56/33/965505633.db2.gz MHLIULHPOGBMEN-UHFFFAOYSA-N 1 0 372.421 2.835 20 5 FFBDRO Cn1nc2c(c1C[N@@H+]1CCC[C@H](c3ccc([N+](=O)[O-])cc3)C1)COCC2 ZINC000894719220 965630235 /nfs/dbraw/zinc/63/02/35/965630235.db2.gz NCDRBURTNROCSV-HNNXBMFYSA-N 1 0 356.426 2.781 20 5 FFBDRO C[C@H]([NH2+]C(C)(C)CNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000825688470 1013601451 /nfs/dbraw/zinc/60/14/51/1013601451.db2.gz LNCSSAIEINLCCK-KBXCAEBGSA-N 1 0 371.437 2.874 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)CN2CCN(C/C=C\c3ccccc3)CC2)cc1 ZINC000033409504 966262345 /nfs/dbraw/zinc/26/23/45/966262345.db2.gz OPZYKJXPYQSPLO-PAKAJVGYSA-N 1 0 367.449 2.959 20 5 FFBDRO COc1c(O)ccc(CNc2ccccc2N2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000892301569 966961507 /nfs/dbraw/zinc/96/15/07/966961507.db2.gz YRFUYZVXTQMTBB-UHFFFAOYSA-N 1 0 372.425 2.673 20 5 FFBDRO Cc1cc(NC2(C(=O)OC(C)(C)C)CCC([NH3+])CC2)ncc1[N+](=O)[O-] ZINC001167642175 967121135 /nfs/dbraw/zinc/12/11/35/967121135.db2.gz DZLOBFNTQZUWAZ-UHFFFAOYSA-N 1 0 350.419 2.692 20 5 FFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc2ccccc2c1 ZINC001029304633 967648670 /nfs/dbraw/zinc/64/86/70/967648670.db2.gz CVTKFDLLBOLAAA-IYWMVGAKSA-N 1 0 365.433 2.680 20 5 FFBDRO Cn1c2ccccc2c(N2CCCC[C@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])c1=O ZINC000892409336 968331829 /nfs/dbraw/zinc/33/18/29/968331829.db2.gz CAOWQFCWBWAAFW-HNNXBMFYSA-N 1 0 370.453 2.901 20 5 FFBDRO O=[N+]([O-])c1cc(O[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1I ZINC001218186489 969499800 /nfs/dbraw/zinc/49/98/00/969499800.db2.gz SPQUFRIDCMZFGB-JZYVYDRUSA-N 1 0 374.178 2.861 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2cnn(CN3CCN(c4cc[nH+]cc4)CC3)c2)cc1 ZINC000103457615 970399038 /nfs/dbraw/zinc/39/90/38/970399038.db2.gz SDHYVVJOSSLIGX-UHFFFAOYSA-N 1 0 364.409 2.633 20 5 FFBDRO C[C@@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000893011139 970495831 /nfs/dbraw/zinc/49/58/31/970495831.db2.gz CCLNHBAURYZXJZ-OLZOCXBDSA-N 1 0 359.430 2.806 20 5 FFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1 ZINC000875745073 1014070657 /nfs/dbraw/zinc/07/06/57/1014070657.db2.gz HRXTUZHZPANRSR-SJORKVTESA-N 1 0 371.441 2.565 20 5 FFBDRO C[C@H](CNC(=O)N1CCCC12CC[NH+](C)CC2)c1ccccc1[N+](=O)[O-] ZINC000897062311 973213453 /nfs/dbraw/zinc/21/34/53/973213453.db2.gz RVEWUKSDUYACLQ-OAHLLOKOSA-N 1 0 360.458 2.968 20 5 FFBDRO C[NH+](C)CCCOc1cccc(NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000825838469 1014102789 /nfs/dbraw/zinc/10/27/89/1014102789.db2.gz AUSXHXYYNRTXKX-GOSISDBHSA-N 1 0 373.409 2.597 20 5 FFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]C[C@@H]1CCN1C1CCOCC1 ZINC000897228919 973479571 /nfs/dbraw/zinc/47/95/71/973479571.db2.gz OSKZHUHRXHZBHJ-HNNXBMFYSA-N 1 0 373.375 2.957 20 5 FFBDRO [NH3+]CCc1ccc(CNC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)cc1 ZINC000876518336 1014289374 /nfs/dbraw/zinc/28/93/74/1014289374.db2.gz PHOHKVPXOFFSBV-UHFFFAOYSA-N 1 0 353.422 2.834 20 5 FFBDRO COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000898481943 976490697 /nfs/dbraw/zinc/49/06/97/976490697.db2.gz XGMGTBVNYDZXGA-QIIPPGSGSA-N 1 0 372.425 2.739 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC2CC[NH+](C3CCOCC3)CC2)c1C ZINC000898640122 976585373 /nfs/dbraw/zinc/58/53/73/976585373.db2.gz IAAQEHDSKCRRCI-UHFFFAOYSA-N 1 0 361.442 2.585 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCCN(c3ccccc3F)CC2)cc1 ZINC000796577973 1014376704 /nfs/dbraw/zinc/37/67/04/1014376704.db2.gz JCGDSVLJNZGJHH-IBGZPJMESA-N 1 0 359.401 2.980 20 5 FFBDRO C[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(-n2cncn2)cc1 ZINC000178565240 977350279 /nfs/dbraw/zinc/35/02/79/977350279.db2.gz MAARUHSQZPJPQT-SCLBCKFNSA-N 1 0 353.382 2.560 20 5 FFBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)Cc1cccc3c1CC[NH2+]C3)CC2 ZINC000876904841 1014415994 /nfs/dbraw/zinc/41/59/94/1014415994.db2.gz LTULCQDHRHKBJQ-UHFFFAOYSA-N 1 0 351.406 2.681 20 5 FFBDRO CC[C@@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)[C@@H](O)c1c(F)cccc1F ZINC000877064116 1014465957 /nfs/dbraw/zinc/46/59/57/1014465957.db2.gz NEQDOGRBLMHQSI-MXHHOCBPSA-N 1 0 366.368 2.875 20 5 FFBDRO CNc1nccc(C(=O)NC[C@H]2CC[N@@H+]2C2CCCCCC2)c1[N+](=O)[O-] ZINC001152053959 1032092378 /nfs/dbraw/zinc/09/23/78/1032092378.db2.gz ZFCSBAMVMSOLKL-CQSZACIVSA-N 1 0 361.446 2.558 20 5 FFBDRO C[C@@](O)(C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccc(F)cc1 ZINC000877127891 1014481790 /nfs/dbraw/zinc/48/17/90/1014481790.db2.gz OPKZWFASYGEEIE-LJQANCHMSA-N 1 0 374.416 2.595 20 5 FFBDRO C[NH2+][C@H](C)Cc1noc(-c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)n1 ZINC000261851092 978504845 /nfs/dbraw/zinc/50/48/45/978504845.db2.gz STYKCJRGPQXCCB-LLVKDONJSA-N 1 0 370.413 2.657 20 5 FFBDRO C[C@@](N)(C(=O)N1CCC(C)([NH+]2CCCCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000877301648 1014541905 /nfs/dbraw/zinc/54/19/05/1014541905.db2.gz YREVVQCNIXHNCG-FQEVSTJZSA-N 1 0 374.485 2.636 20 5 FFBDRO C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877374952 1014566294 /nfs/dbraw/zinc/56/62/94/1014566294.db2.gz MBGIAZLCAAYASS-FOSZKXBFSA-N 1 0 355.442 2.605 20 5 FFBDRO [NH3+]C[C@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)c2ccccc21 ZINC000877425895 1014579901 /nfs/dbraw/zinc/57/99/01/1014579901.db2.gz HHBYVOOBMUZFJJ-GFCCVEGCSA-N 1 0 359.357 2.592 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[NH2+]CCC12CCOCC2 ZINC000904420908 980275206 /nfs/dbraw/zinc/27/52/06/980275206.db2.gz YDVKPPZPUNGLOA-UHFFFAOYSA-N 1 0 362.430 2.588 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)[NH2+]C2CC(c3ccccc3F)C2)cc1 ZINC000877831730 1014746857 /nfs/dbraw/zinc/74/68/57/1014746857.db2.gz XVXHTGOSNMFUGR-IXZBZBRVSA-N 1 0 360.385 2.664 20 5 FFBDRO COCCN(CC1CC[NH+](C)CC1)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000877902773 1014758505 /nfs/dbraw/zinc/75/85/05/1014758505.db2.gz VCTXIFFPVRMXNO-UHFFFAOYSA-N 1 0 364.446 2.725 20 5 FFBDRO CCOc1cc(C(=O)N2CCC[N@H+](CC)C[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000910293307 981901348 /nfs/dbraw/zinc/90/13/48/981901348.db2.gz NXCNJWAIBISPGW-ZDUSSCGKSA-N 1 0 365.430 2.558 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC([N@@H+]3CCCOCC3)CC2)c1C ZINC000910366853 981917823 /nfs/dbraw/zinc/91/78/23/981917823.db2.gz VWPLRAJAKRCJHP-UHFFFAOYSA-N 1 0 361.442 2.539 20 5 FFBDRO NC(=O)c1ccc(CC[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000878148664 1014883686 /nfs/dbraw/zinc/88/36/86/1014883686.db2.gz INLJNDXTAXHESK-UHFFFAOYSA-N 1 0 369.421 2.780 20 5 FFBDRO O=C(c1ccnc(-c2ccccc2)c1[N+](=O)[O-])N1CC([NH+]2CCCC2)C1 ZINC000912323084 984011896 /nfs/dbraw/zinc/01/18/96/984011896.db2.gz VODXDMWOEKAFBX-UHFFFAOYSA-N 1 0 352.394 2.577 20 5 FFBDRO C[NH+]1C[C@@]2(C)CN(C(=O)c3cc([N+](=O)[O-])ccc3N3CCCC3)C[C@]2(C)C1 ZINC000913293807 984234362 /nfs/dbraw/zinc/23/43/62/984234362.db2.gz URGFOEYDECCHAJ-PMACEKPBSA-N 1 0 372.469 2.609 20 5 FFBDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@@H+]2Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878603803 1015126097 /nfs/dbraw/zinc/12/60/97/1015126097.db2.gz IENPAEPCSHASIF-GPMVNZHBSA-N 1 0 356.382 2.500 20 5 FFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(C[NH2+]Cc2ccc(C3CCC3)cc2)CC1 ZINC000997770991 985733855 /nfs/dbraw/zinc/73/38/55/985733855.db2.gz DYKDLFVQPXJOTL-WOJBJXKFSA-N 1 0 371.481 2.948 20 5 FFBDRO C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)C(C)(C)C[NH+](C)C ZINC000173055286 985745653 /nfs/dbraw/zinc/74/56/53/985745653.db2.gz MVAAHDAWDZGDQP-AWEZNQCLSA-N 1 0 362.474 2.901 20 5 FFBDRO C[C@@H]1C[C@@H]1c1ccc(C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C2CC2)o1 ZINC000252480799 988116386 /nfs/dbraw/zinc/11/63/86/988116386.db2.gz FSMPWCOSJHILKC-VMGRFDJRSA-N 1 0 360.414 2.533 20 5 FFBDRO Cc1c(C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000915297407 988395151 /nfs/dbraw/zinc/39/51/51/988395151.db2.gz JCNRPYAPUTYWPG-VXGBXAGGSA-N 1 0 364.402 2.804 20 5 FFBDRO C[C@@H]1CN(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)CCN1c1cc[nH+]cc1 ZINC000888278571 988653146 /nfs/dbraw/zinc/65/31/46/988653146.db2.gz YOHZOBNIFLRXGY-GFCCVEGCSA-N 1 0 359.361 2.872 20 5 FFBDRO CC[N@H+](CN1C(=O)N[C@](C)(c2ccc([N+](=O)[O-])cc2)C1=O)C1CCCCC1 ZINC000915793257 988917218 /nfs/dbraw/zinc/91/72/18/988917218.db2.gz LTXCEKVISIHCJQ-LJQANCHMSA-N 1 0 374.441 2.974 20 5 FFBDRO CN(c1ccc(NC(=O)c2ccc([N+](=O)[O-])n2C)cc1)C1CC[NH+](C)CC1 ZINC000917794021 990276485 /nfs/dbraw/zinc/27/64/85/990276485.db2.gz DUNPNQQEVVLBFN-UHFFFAOYSA-N 1 0 371.441 2.716 20 5 FFBDRO O=C(Nc1cccc(CN2CCOCC2)c1)c1cc(F)ccc1[N+](=O)[O-] ZINC000154796263 990477177 /nfs/dbraw/zinc/47/71/77/990477177.db2.gz YVZGRLSSAATNFH-UHFFFAOYSA-N 1 0 359.357 2.818 20 5 FFBDRO COc1ccc([C@@H]2CN(Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)CC[NH2+]2)cc1 ZINC000879520755 1015571281 /nfs/dbraw/zinc/57/12/81/1015571281.db2.gz DLWZWCNIRLWONY-SFHVURJKSA-N 1 0 367.409 2.626 20 5 FFBDRO COc1cccc([C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2F)[NH+](C)C)c1 ZINC000919680836 990708741 /nfs/dbraw/zinc/70/87/41/990708741.db2.gz RTYBRWOMHLUQPR-KRWDZBQOSA-N 1 0 361.373 2.775 20 5 FFBDRO CCCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000068964535 991554316 /nfs/dbraw/zinc/55/43/16/991554316.db2.gz WTGMSBILBVZYGG-HOCLYGCPSA-N 1 0 373.457 2.919 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CC[C@@](CO)(Cc3ccc(F)cc3)C2)cc1 ZINC000808795331 994269765 /nfs/dbraw/zinc/26/97/65/994269765.db2.gz TYRQLRJHOUPSBY-VQTJNVASSA-N 1 0 374.412 2.694 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1CN(CC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000809736376 994582710 /nfs/dbraw/zinc/58/27/10/994582710.db2.gz RGIDKPDRQMGVLK-UHFFFAOYSA-N 1 0 360.370 2.867 20 5 FFBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000812386813 995424285 /nfs/dbraw/zinc/42/42/85/995424285.db2.gz FNFUETPELJGIRH-LLVKDONJSA-N 1 0 366.418 2.970 20 5 FFBDRO C[C@H](CN1CCOCC1)NC(=O)Nc1cc([N+](=O)[O-])ccc1C(C)(C)C ZINC000880706446 1015949935 /nfs/dbraw/zinc/94/99/35/1015949935.db2.gz LJLQIJKNAFRPRQ-CYBMUJFWSA-N 1 0 364.446 2.735 20 5 FFBDRO COC[C@@]1(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)OCCc2ccccc21 ZINC001206078242 1032134786 /nfs/dbraw/zinc/13/47/86/1032134786.db2.gz RYHPDOABYMCTMZ-HXUWFJFHSA-N 1 0 356.422 2.842 20 5 FFBDRO CCc1ccc([C@H](CNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)[NH+](C)C)cc1 ZINC000823984564 996772003 /nfs/dbraw/zinc/77/20/03/996772003.db2.gz LKDFGDOSQNRXAB-OALUTQOASA-N 1 0 371.437 2.610 20 5 FFBDRO [NH3+]Cc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)cc1 ZINC000843512654 997418324 /nfs/dbraw/zinc/41/83/24/997418324.db2.gz LXCIRNXSLXFPPU-UHFFFAOYSA-N 1 0 354.410 2.584 20 5 FFBDRO O=C(CC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1)NCC1CCCCC1 ZINC000731352084 997849604 /nfs/dbraw/zinc/84/96/04/997849604.db2.gz NKNCFZPDFJHJPM-UHFFFAOYSA-N 1 0 374.485 2.803 20 5 FFBDRO COC(=O)[C@@H]1C[N@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C[C@H]1C1CC1 ZINC000844764553 998127510 /nfs/dbraw/zinc/12/75/10/998127510.db2.gz JZARIWRYISMPHA-ZWKOTPCHSA-N 1 0 370.409 2.547 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(COC(=O)[C@@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)c1 ZINC000845125117 998368169 /nfs/dbraw/zinc/36/81/69/998368169.db2.gz XZIJYZHSMTZMDQ-FRRDWIJNSA-N 1 0 364.398 2.686 20 5 FFBDRO C[N@@H+]1CCCC[C@@H]1CCC(=O)OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000803858285 1016247404 /nfs/dbraw/zinc/24/74/04/1016247404.db2.gz NZTULOGXOHTYRE-CQSZACIVSA-N 1 0 374.397 2.953 20 5 FFBDRO C[C@H]1CN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)CC[N@@H+](C2CC2)C1 ZINC000822443963 998874714 /nfs/dbraw/zinc/87/47/14/998874714.db2.gz UBLSSAWWZPCRCB-SNVBAGLBSA-N 1 0 355.797 2.944 20 5 FFBDRO Cc1c(NC(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)cccc1[N+](=O)[O-] ZINC000734263045 999257648 /nfs/dbraw/zinc/25/76/48/999257648.db2.gz WWGMBLTWHMBJJO-HNNXBMFYSA-N 1 0 362.430 2.668 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2cnn(C[N@@H+]3CCC[C@@H](C4OCCO4)C3)c2)cc1 ZINC000738147635 999621036 /nfs/dbraw/zinc/62/10/36/999621036.db2.gz FEIQXOWAGKWIOO-OAHLLOKOSA-N 1 0 358.398 2.501 20 5 FFBDRO Cc1c([N+](=O)[O-])cc(C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000743717534 999829877 /nfs/dbraw/zinc/82/98/77/999829877.db2.gz HEFJDWOMXPYZKB-AWEZNQCLSA-N 1 0 364.402 2.758 20 5 FFBDRO CC(C)C[C@@H]1CC[N@H+](CN2C(=O)N[C@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000744437105 999856348 /nfs/dbraw/zinc/85/63/48/999856348.db2.gz GUBSHIPGRUNEQI-IFXJQAMLSA-N 1 0 374.441 2.687 20 5 FFBDRO CC[C@H](C(=O)O[C@@H](C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1)[NH+](CC)CC ZINC000745091681 999891987 /nfs/dbraw/zinc/89/19/87/999891987.db2.gz CZADWPUFPLIXLB-SMDDNHRTSA-N 1 0 369.393 2.725 20 5 FFBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000745943428 999938151 /nfs/dbraw/zinc/93/81/51/999938151.db2.gz DGTCXPAAKZAVDY-HNNXBMFYSA-N 1 0 365.430 2.915 20 5 FFBDRO CCN(CC)C(=O)[C@]1(c2ccccc2)C[C@@H]1C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168985867 1000012608 /nfs/dbraw/zinc/01/26/08/1000012608.db2.gz VIOGQQCVQLEIFB-VELGLUOQSA-N 1 0 373.497 2.848 20 5 FFBDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C(F)(F)C1 ZINC001168969041 1000013579 /nfs/dbraw/zinc/01/35/79/1000013579.db2.gz BQLZMMSAHJIAGZ-UPJWGTAASA-N 1 0 363.405 2.666 20 5 FFBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]C2CCN(Cc3cccc(F)c3F)CC2)C1 ZINC001168997345 1000014257 /nfs/dbraw/zinc/01/42/57/1000014257.db2.gz YVFZMTGYJBFOIC-XJKSGUPXSA-N 1 0 353.413 2.964 20 5 FFBDRO COCCN(C)[C@H](C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccc(Cl)cc1 ZINC001169008711 1000015092 /nfs/dbraw/zinc/01/50/92/1000015092.db2.gz UGBZKLHGKUJBRN-ZTFGCOKTSA-N 1 0 369.893 2.994 20 5 FFBDRO CC(C)(C)OC(=O)N1CC([C@H]([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C2CC2)C1 ZINC001169006654 1000015107 /nfs/dbraw/zinc/01/51/07/1000015107.db2.gz IVCNOWONGHYGDI-DAXOMENPSA-N 1 0 353.463 2.667 20 5 FFBDRO CC(C)(C)OC(=O)N1CC2(C1)CC[NH+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169011050 1000015414 /nfs/dbraw/zinc/01/54/14/1000015414.db2.gz HTWVRPOVNAIIRC-LSDHHAIUSA-N 1 0 353.463 2.765 20 5 FFBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCN(c3ccc(C(F)(F)F)cn3)CC2)C1 ZINC001169027828 1000016089 /nfs/dbraw/zinc/01/60/89/1000016089.db2.gz QXSKPKIKCMHBKF-JSGCOSHPSA-N 1 0 358.364 2.668 20 5 FFBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2ccc3nnc(-c4ccccc4)n3c2)C1 ZINC001168990012 1000016185 /nfs/dbraw/zinc/01/61/85/1000016185.db2.gz ANGZFBBDVHUJEX-YOEHRIQHSA-N 1 0 351.410 2.931 20 5 FFBDRO CN1C(=O)[C@H](c2ccccc2)CC12CC[NH+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169018422 1000017322 /nfs/dbraw/zinc/01/73/22/1000017322.db2.gz BEPXMIHACRKONK-NEWSRXKRSA-N 1 0 371.481 2.912 20 5 FFBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2CCCn3cnc(COCc4ccco4)c3C2)C1 ZINC001169026241 1000018122 /nfs/dbraw/zinc/01/81/22/1000018122.db2.gz WJYYQCINDARRHS-JKSUJKDBSA-N 1 0 374.441 2.844 20 5 FFBDRO CN1C[C@H](c2ccccc2)C2(CC[NH+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)C1=O ZINC001169026919 1000018311 /nfs/dbraw/zinc/01/83/11/1000018311.db2.gz YZPBMEXMAXMTAG-NZSAHSFTSA-N 1 0 371.481 2.770 20 5 FFBDRO CC(C)(C)OC(=O)NC(=S)C1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169048296 1000018687 /nfs/dbraw/zinc/01/86/87/1000018687.db2.gz UHPMWUFDRKMSTJ-OCCSQVGLSA-N 1 0 371.503 2.996 20 5 FFBDRO Cc1c(CO)cc([N+](=O)[O-])c(NCC[N@@H+]2CCCC(C)(C)C2)c1[N+](=O)[O-] ZINC000767442419 1000113518 /nfs/dbraw/zinc/11/35/18/1000113518.db2.gz SINDTIRLEFNYIF-UHFFFAOYSA-N 1 0 366.418 2.838 20 5 FFBDRO CC(C)c1ccc(C[N@H+]2CC=C(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1 ZINC001000673572 1016421235 /nfs/dbraw/zinc/42/12/35/1016421235.db2.gz GOCOCXZCZYASCK-RTBURBONSA-N 1 0 357.454 2.724 20 5 FFBDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2[nH]nc([N+](=O)[O-])c2Cl)C1 ZINC001146934745 1000793022 /nfs/dbraw/zinc/79/30/22/1000793022.db2.gz PCTHUVBRMCBZAE-VXGBXAGGSA-N 1 0 369.853 2.698 20 5 FFBDRO [NH3+]Cc1ccc2nnn(-c3c(Br)cc(F)cc3[N+](=O)[O-])c2c1 ZINC001170024026 1001041961 /nfs/dbraw/zinc/04/19/61/1001041961.db2.gz SHOZLVZIFKJRFB-UHFFFAOYSA-N 1 0 366.150 2.689 20 5 FFBDRO O=[N+]([O-])c1cnc2cc(Br)ccc2c1NC[C@H]1CCCC[NH2+]1 ZINC001171334198 1001176684 /nfs/dbraw/zinc/17/66/84/1001176684.db2.gz JUDRCGQLQUUOQM-LLVKDONJSA-N 1 0 365.231 2.881 20 5 FFBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000786821099 1001632887 /nfs/dbraw/zinc/63/28/87/1001632887.db2.gz YIIUXHYSDUTOCI-DZGCQCFKSA-N 1 0 354.410 2.742 20 5 FFBDRO CN(CC(=O)OC[C@@H]1CCC[N@@H+]1Cc1ccco1)c1ccccc1[N+](=O)[O-] ZINC000772691000 1001635567 /nfs/dbraw/zinc/63/55/67/1001635567.db2.gz NGPFMGZVZSJGKJ-HNNXBMFYSA-N 1 0 373.409 2.832 20 5 FFBDRO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2C(=O)[C@H](CC)CO ZINC001183169618 1002182677 /nfs/dbraw/zinc/18/26/77/1002182677.db2.gz DRPCDGSAYIVNPQ-GFCCVEGCSA-N 1 0 353.422 2.914 20 5 FFBDRO Cc1ccc(C[NH2+][C@@H]2COCCN(C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC001183345443 1002249476 /nfs/dbraw/zinc/24/94/76/1002249476.db2.gz JESNLWOJMAVYHU-HNNXBMFYSA-N 1 0 365.430 2.629 20 5 FFBDRO CN(C)c1cc(F)c(C(=O)NCc2ccccc2C[NH+](C)C)cc1[N+](=O)[O-] ZINC000791205892 1002618560 /nfs/dbraw/zinc/61/85/60/1002618560.db2.gz SPPGAXOAQCYZSC-UHFFFAOYSA-N 1 0 374.416 2.792 20 5 FFBDRO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)c1ccc([N+](=O)[O-])n1C ZINC000791974568 1002858364 /nfs/dbraw/zinc/85/83/64/1002858364.db2.gz VVTIKWDJNGQLHQ-HOCLYGCPSA-N 1 0 354.410 2.690 20 5 FFBDRO Cc1cc(F)cc(C(=O)OCCCN2CC[NH+](C(C)C)CC2)c1[N+](=O)[O-] ZINC000791992471 1002873131 /nfs/dbraw/zinc/87/31/31/1002873131.db2.gz IGOJOXAPGIENTI-UHFFFAOYSA-N 1 0 367.421 2.615 20 5 FFBDRO C[C@@H](OC(=O)c1ccc2c[nH+]cn2c1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000792546273 1003026649 /nfs/dbraw/zinc/02/66/49/1003026649.db2.gz LVZKUEFWVGPMNL-SNVBAGLBSA-N 1 0 372.312 2.566 20 5 FFBDRO COc1ccc(C[C@@H](C)[NH2+]C[C@@H](O)COc2ccccc2)c([N+](=O)[O-])c1 ZINC001170296739 1003089974 /nfs/dbraw/zinc/08/99/74/1003089974.db2.gz IADRYIAPMLOXNS-GDBMZVCRSA-N 1 0 360.410 2.564 20 5 FFBDRO COc1ccc(C[C@H](C)[NH2+]C[C@@H](O)COCc2ccccc2)c([N+](=O)[O-])c1 ZINC001170297207 1003091051 /nfs/dbraw/zinc/09/10/51/1003091051.db2.gz MBTPIDQIELYSMU-MAUKXSAKSA-N 1 0 374.437 2.702 20 5 FFBDRO COc1ccc(C[C@H](C)[NH2+][C@H](C(=O)NC(C)C)C(C)C)c([N+](=O)[O-])c1 ZINC001170315806 1003105947 /nfs/dbraw/zinc/10/59/47/1003105947.db2.gz YGTBPZLLMSAESG-GUYCJALGSA-N 1 0 351.447 2.673 20 5 FFBDRO COc1ccc(C[C@@H](C)[NH2+]CCN2CCCC(F)(F)C2)c([N+](=O)[O-])c1 ZINC001170319630 1003108923 /nfs/dbraw/zinc/10/89/23/1003108923.db2.gz XPDWVPKALTZUNH-CYBMUJFWSA-N 1 0 357.401 2.855 20 5 FFBDRO COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+]([C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])C2 ZINC001170353111 1003121202 /nfs/dbraw/zinc/12/12/02/1003121202.db2.gz VXFZRYKWLWLLJO-UGQVUOCMSA-N 1 0 362.426 2.808 20 5 FFBDRO CC1(C)[C@H]([NH2+]Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)[C@@H]2CCCO[C@H]21 ZINC001170386035 1003138782 /nfs/dbraw/zinc/13/87/82/1003138782.db2.gz LXRPJFOWRMPEHJ-APHBMKBZSA-N 1 0 358.398 2.938 20 5 FFBDRO COc1cc(C[NH2+]C[C@@H](C)NC(=O)OC(C)(C)C)c([N+](=O)[O-])cc1OC ZINC000793216080 1003310626 /nfs/dbraw/zinc/31/06/26/1003310626.db2.gz WIDVATXBWUVFHO-LLVKDONJSA-N 1 0 369.418 2.615 20 5 FFBDRO Cc1nn(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000772829092 1003311885 /nfs/dbraw/zinc/31/18/85/1003311885.db2.gz RESIOOOLWSYLKI-RDTXWAMCSA-N 1 0 370.457 2.554 20 5 FFBDRO O=C(NCC1CC[NH+](Cc2ccc(C3CC3)cc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001001398229 1016780327 /nfs/dbraw/zinc/78/03/27/1016780327.db2.gz AYFKUASYFIEDAG-RTBURBONSA-N 1 0 357.454 2.557 20 5 FFBDRO C[C@@H]1CC[C@H]([NH2+]CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)[C@@H](C)C1 ZINC000775683857 1003636008 /nfs/dbraw/zinc/63/60/08/1003636008.db2.gz SUEVVDWMTIDCEB-GJYPPUQNSA-N 1 0 374.485 2.658 20 5 FFBDRO CCO[C@@H]1C[C@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H]1Oc1ccccc1 ZINC000775502597 1004071148 /nfs/dbraw/zinc/07/11/48/1004071148.db2.gz UBUUDKSZDBFMRQ-HAGHYFMRSA-N 1 0 372.421 2.843 20 5 FFBDRO C[N@H+](CCc1ccc2c(c1)OCO2)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001197836785 1004375483 /nfs/dbraw/zinc/37/54/83/1004375483.db2.gz FFMCBHMCYPCAOS-UHFFFAOYSA-N 1 0 359.338 2.906 20 5 FFBDRO CC(C)CN(CC1CC[NH+](C)CC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC001193980692 1004624062 /nfs/dbraw/zinc/62/40/62/1004624062.db2.gz WLIWKQJHKMBOIR-UHFFFAOYSA-N 1 0 369.487 2.583 20 5 FFBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]C2CCC3(CC2)OCCO3)c1 ZINC001199353076 1004908260 /nfs/dbraw/zinc/90/82/60/1004908260.db2.gz FUQZSOFONCXPQS-UHFFFAOYSA-N 1 0 358.341 2.972 20 5 FFBDRO COc1cc(C[C@@H](CO)C[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc(OC)c1 ZINC001200890682 1005141024 /nfs/dbraw/zinc/14/10/24/1005141024.db2.gz CQPOGUSGXRNCTL-MRXNPFEDSA-N 1 0 374.437 2.861 20 5 FFBDRO CCN1C[C@H](C[N@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)Oc2ccccc21 ZINC000776277784 1005336533 /nfs/dbraw/zinc/33/65/33/1005336533.db2.gz SGYFBKCSWIFCGJ-HKUYNNGSSA-N 1 0 371.437 2.848 20 5 FFBDRO C[C@H](C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)N1CCc2ccccc2C1 ZINC000776277386 1005337197 /nfs/dbraw/zinc/33/71/97/1005337197.db2.gz NXSLRHGXCQYBLB-FOIQADDNSA-N 1 0 355.438 2.665 20 5 FFBDRO C[N@@H+](Cc1ccccc1N1CCOCC1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776276616 1005342693 /nfs/dbraw/zinc/34/26/93/1005342693.db2.gz OCXIIQLPLMMQDK-HXUWFJFHSA-N 1 0 371.437 2.597 20 5 FFBDRO O=C(Nc1ccccc1)C1CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776278317 1005344903 /nfs/dbraw/zinc/34/49/03/1005344903.db2.gz TUHJJWXOIBMCNW-IBGZPJMESA-N 1 0 369.421 2.979 20 5 FFBDRO C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)CC(C)(C)NC(=O)OC(C)(C)C ZINC000852306942 1005970000 /nfs/dbraw/zinc/97/00/00/1005970000.db2.gz NIGIFLISDSVKOQ-HNNXBMFYSA-N 1 0 367.446 2.863 20 5 FFBDRO C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000776589663 1006003702 /nfs/dbraw/zinc/00/37/02/1006003702.db2.gz VAISAPCUWAGAFV-HOTGVXAUSA-N 1 0 365.430 2.569 20 5 FFBDRO COC(=O)c1cc(C)nc(N[C@@H](CC[NH+](C)C)c2cccnc2)c1[N+](=O)[O-] ZINC001187678164 1006194458 /nfs/dbraw/zinc/19/44/58/1006194458.db2.gz XWWAREASCYMPRU-HNNXBMFYSA-N 1 0 373.413 2.585 20 5 FFBDRO COc1ccc(CN2CC[C@H]([NH2+]Cc3cccc([N+](=O)[O-])c3C)C2=O)cc1 ZINC000853076074 1006287002 /nfs/dbraw/zinc/28/70/02/1006287002.db2.gz FSNLXFFLCSQDOD-SFHVURJKSA-N 1 0 369.421 2.803 20 5 FFBDRO COc1ccccc1[C@H](O)C[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000853240690 1006345737 /nfs/dbraw/zinc/34/57/37/1006345737.db2.gz RDVCZQIEJNWQAM-CXAGYDPISA-N 1 0 373.409 2.644 20 5 FFBDRO COc1cc(N2CC[C@@H](OCC[NH+]3CCCCC3)C2)c([N+](=O)[O-])cc1C ZINC000853451730 1006393750 /nfs/dbraw/zinc/39/37/50/1006393750.db2.gz BTPOAXHFIJTGPN-MRXNPFEDSA-N 1 0 363.458 2.993 20 5 FFBDRO O=[N+]([O-])c1c(F)nccc1NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000882462625 1006405454 /nfs/dbraw/zinc/40/54/54/1006405454.db2.gz DWESHBOXGKVFHG-UHFFFAOYSA-N 1 0 360.389 2.568 20 5 FFBDRO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000814853042 1006449793 /nfs/dbraw/zinc/44/97/93/1006449793.db2.gz ZIDHPRUTKGQNHM-ZDUSSCGKSA-N 1 0 365.405 2.833 20 5 FFBDRO O=C1CN(C[N@@H+]2CCC[C@@H](C3CCC3)C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000853590795 1006463601 /nfs/dbraw/zinc/46/36/01/1006463601.db2.gz UYSKQWJOEOFCFO-OAHLLOKOSA-N 1 0 372.425 2.833 20 5 FFBDRO Cc1noc(CON=C(N)c2cccc(C[NH+]3CCCCC3)c2)c1[N+](=O)[O-] ZINC000853659549 1006497539 /nfs/dbraw/zinc/49/75/39/1006497539.db2.gz XVNPFVQHPDQXMW-UHFFFAOYSA-N 1 0 373.413 2.924 20 5 FFBDRO C[C@@H]([NH2+]CCN1CCN(c2ccccc2)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815556973 1006682485 /nfs/dbraw/zinc/68/24/85/1006682485.db2.gz JQDWRSJZHXRFQC-MRXNPFEDSA-N 1 0 369.469 2.650 20 5 FFBDRO CCCN(CC[NH+](CC)CC)S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC001189041100 1006864204 /nfs/dbraw/zinc/86/42/04/1006864204.db2.gz NDQPMCOSVRAXSX-UHFFFAOYSA-N 1 0 371.503 2.954 20 5 FFBDRO COc1ccc([C@@H]2CN(C(=O)c3c(C)c(C)ccc3[N+](=O)[O-])C[C@H]2[NH3+])cc1 ZINC000884468205 1007449850 /nfs/dbraw/zinc/44/98/50/1007449850.db2.gz UOAODMDYNXIJSC-DLBZAZTESA-N 1 0 369.421 2.787 20 5 FFBDRO CCC1([NH+]2CCC2)CCN(Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)CC1 ZINC000884473934 1007456714 /nfs/dbraw/zinc/45/67/14/1007456714.db2.gz LMEZHGXZDLGYBJ-UHFFFAOYSA-N 1 0 370.457 2.761 20 5 FFBDRO CCC1([NH+]2CCC2)CCN(Cn2nc(C)c3cc([N+](=O)[O-])cnc32)CC1 ZINC000884474527 1007456831 /nfs/dbraw/zinc/45/68/31/1007456831.db2.gz CZSGGTKINBXVSY-UHFFFAOYSA-N 1 0 358.446 2.556 20 5 FFBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000855811395 1007577305 /nfs/dbraw/zinc/57/73/05/1007577305.db2.gz MWCSPHOMIWEOFI-CQSZACIVSA-N 1 0 360.458 2.798 20 5 FFBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000817490502 1007617588 /nfs/dbraw/zinc/61/75/88/1007617588.db2.gz FXGXRGZLUWGDBW-MRXNPFEDSA-N 1 0 360.458 2.751 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N3CC[C@]4(CCC[NH2+]4)C3)cc2[N+](=O)[O-])CC1 ZINC000818014923 1007854481 /nfs/dbraw/zinc/85/44/81/1007854481.db2.gz CSWAJOAKSHRDBN-HXUWFJFHSA-N 1 0 372.469 2.799 20 5 FFBDRO CC(C)[N@H+](C)Cc1cc(O[C@H]2CCN(c3ccc([N+](=O)[O-])cn3)C2)ccn1 ZINC000856535887 1007874350 /nfs/dbraw/zinc/87/43/50/1007874350.db2.gz IUDJICZNFXRQFJ-SFHVURJKSA-N 1 0 371.441 2.883 20 5 FFBDRO Cc1c(C(=O)N2CCCc3cc(C[NH3+])ccc32)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000818551504 1007939807 /nfs/dbraw/zinc/93/98/07/1007939807.db2.gz CCTRYSAYVQQOGX-UHFFFAOYSA-N 1 0 370.365 2.863 20 5 FFBDRO COc1cccc(N2CC[C@H](C[NH2+]C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000819003147 1008005157 /nfs/dbraw/zinc/00/51/57/1008005157.db2.gz SYAIFTWVUWCSBW-FOIQADDNSA-N 1 0 371.437 2.753 20 5 FFBDRO CCN(C)c1ccccc1C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000819033669 1008027695 /nfs/dbraw/zinc/02/76/95/1008027695.db2.gz QVQDMHNKJWSQHT-KRWDZBQOSA-N 1 0 359.426 2.580 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@H]2CCCN2Cc2ccccc2)c1 ZINC000819073672 1008037617 /nfs/dbraw/zinc/03/76/17/1008037617.db2.gz WXJOBGJFJNOLAA-VQTJNVASSA-N 1 0 355.438 2.882 20 5 FFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H]2CCN(c3c(F)cccc3F)C2)c1 ZINC000819146276 1008042916 /nfs/dbraw/zinc/04/29/16/1008042916.db2.gz GCLJKXDPCXIJQS-GUYCJALGSA-N 1 0 363.364 2.775 20 5 FFBDRO COc1ccccc1N1CC[C@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000819152023 1008044683 /nfs/dbraw/zinc/04/46/83/1008044683.db2.gz KETNDMIKJMKRSB-YJBOKZPZSA-N 1 0 357.410 2.505 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCCc2ccc3c(c2)OCCO3)cc1 ZINC000819157057 1008046492 /nfs/dbraw/zinc/04/64/92/1008046492.db2.gz LWPUDEWOBHRIIV-KRWDZBQOSA-N 1 0 358.394 2.622 20 5 FFBDRO Cc1ccc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c(O[C@H]2CCOC2)c1 ZINC000819157851 1008046497 /nfs/dbraw/zinc/04/64/97/1008046497.db2.gz YDEKXEVMCYDPEW-RBUKOAKNSA-N 1 0 372.421 2.894 20 5 FFBDRO C[C@@H]1[C@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000819316075 1008110246 /nfs/dbraw/zinc/11/02/46/1008110246.db2.gz MVMWXMQWNYQTIA-CDHQVMDDSA-N 1 0 355.438 2.881 20 5 FFBDRO COc1ccc(CC[N@H+](CC(C)C)Cn2nccc2[N+](=O)[O-])cc1OC ZINC000115513110 1008198318 /nfs/dbraw/zinc/19/83/18/1008198318.db2.gz GLDRPEAOGVNVAQ-UHFFFAOYSA-N 1 0 362.430 2.967 20 5 FFBDRO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)c1cccc([N+](=O)[O-])c1N ZINC000820009525 1008265417 /nfs/dbraw/zinc/26/54/17/1008265417.db2.gz KSYWSKGLCOVZRB-NVXWUHKLSA-N 1 0 366.421 2.934 20 5 FFBDRO C[C@@H]1C[C@H](NC(=O)c2ccc(N)c([N+](=O)[O-])c2)C[N@@H+]1Cc1ccccc1 ZINC000137441178 1008609725 /nfs/dbraw/zinc/60/97/25/1008609725.db2.gz ACLZBQHOAQMMQK-CJNGLKHVSA-N 1 0 354.410 2.570 20 5 FFBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC001177574477 1008664801 /nfs/dbraw/zinc/66/48/01/1008664801.db2.gz ZHXIVFJCMCBFID-GNQBBTMLSA-N 1 0 373.453 2.615 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2ccc(CNC[C@H]3C[N@@H+]4CCC[C@H]4CO3)o2)c1 ZINC001177749465 1008732655 /nfs/dbraw/zinc/73/26/55/1008732655.db2.gz VWRCNUQKZFQYOQ-WMZOPIPTSA-N 1 0 357.410 2.808 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000822684648 1008732954 /nfs/dbraw/zinc/73/29/54/1008732954.db2.gz NURIVZOLHDICRM-MRXNPFEDSA-N 1 0 361.442 2.539 20 5 FFBDRO C[NH+](C)CC[C@@H](NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)c1cccnc1 ZINC001178401459 1008965192 /nfs/dbraw/zinc/96/51/92/1008965192.db2.gz VEOLPLIXHRXLAJ-OAHLLOKOSA-N 1 0 367.409 2.894 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]Cc2cccc3ccoc32)cc1 ZINC001178448995 1008979607 /nfs/dbraw/zinc/97/96/07/1008979607.db2.gz HNJBLULPSDPKAG-UHFFFAOYSA-N 1 0 360.391 2.905 20 5 FFBDRO C[N@H+](C[C@@](C)(O)c1ccccc1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000823597796 1009135323 /nfs/dbraw/zinc/13/53/23/1009135323.db2.gz BLPUHQYQSWCAFB-UYAOXDASSA-N 1 0 369.421 2.540 20 5 FFBDRO C[C@H](NC(=O)Nc1ccc(N)c([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000823967621 1009283991 /nfs/dbraw/zinc/28/39/91/1009283991.db2.gz FZWBNGGCQGGMGU-QWHCGFSZSA-N 1 0 361.446 2.952 20 5 FFBDRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000823944804 1009287865 /nfs/dbraw/zinc/28/78/65/1009287865.db2.gz CYVMGLJFSKWANI-MRXNPFEDSA-N 1 0 373.413 2.610 20 5 FFBDRO Nc1ccc(NC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000824008673 1009291376 /nfs/dbraw/zinc/29/13/76/1009291376.db2.gz SVHJBGUCHQJYHL-UHFFFAOYSA-N 1 0 369.425 2.917 20 5 FFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccnc(-n2cncn2)c1 ZINC001179347924 1009312899 /nfs/dbraw/zinc/31/28/99/1009312899.db2.gz JHJOBDBJCAEUGU-VGOFMYFVSA-N 1 0 350.382 2.764 20 5 FFBDRO CO[C@@H]1C[N@H+](C)[C@](C)(COC(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)C1 ZINC000861353163 1009372647 /nfs/dbraw/zinc/37/26/47/1009372647.db2.gz MIMAULZURQFLHR-KSSFIOAISA-N 1 0 366.414 2.648 20 5 FFBDRO C[N@@H+]1C[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3N3CCCCC3)C[C@]2(C)C1 ZINC000887938102 1009688635 /nfs/dbraw/zinc/68/86/35/1009688635.db2.gz ZWQFAPDTYXQNKA-QRWLVFNGSA-N 1 0 372.469 2.609 20 5 FFBDRO O=C(/C=C/c1ccccc1)NCCC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC001181205844 1010016177 /nfs/dbraw/zinc/01/61/77/1010016177.db2.gz OESYIHACGSMUTK-FMIVXFBMSA-N 1 0 353.422 2.947 20 5 FFBDRO C/C=C/C[C@@H]1CCC[N@H+](CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000863340372 1010186880 /nfs/dbraw/zinc/18/68/80/1010186880.db2.gz KFZQAXRZBWIYJQ-XYBNCVKDSA-N 1 0 372.425 2.999 20 5 FFBDRO CC(C)(CN1C(=O)N[C@@](C)(c2cccc([N+](=O)[O-])c2)C1=O)[NH+]1CCCCC1 ZINC000863499803 1010226864 /nfs/dbraw/zinc/22/68/64/1010226864.db2.gz IIVONNLSAULXDA-IBGZPJMESA-N 1 0 374.441 2.626 20 5 FFBDRO CC(C)c1ccc(C[NH2+]Cc2ccnc(-n3cncn3)c2)cc1[N+](=O)[O-] ZINC000865681635 1010840909 /nfs/dbraw/zinc/84/09/09/1010840909.db2.gz TVXAUTUQXNOHFM-UHFFFAOYSA-N 1 0 352.398 2.984 20 5 FFBDRO Cc1cc(N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000866204231 1010950989 /nfs/dbraw/zinc/95/09/89/1010950989.db2.gz BGBWGBYTMIMUDX-NVXWUHKLSA-N 1 0 353.426 2.891 20 5 FFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1CCCN(c2ncccn2)C1 ZINC000866238670 1010958857 /nfs/dbraw/zinc/95/88/57/1010958857.db2.gz QSIOVQISKKNQPC-CJNGLKHVSA-N 1 0 359.405 2.714 20 5 FFBDRO COCCN(CC1CC[NH+](C)CC1)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000869769015 1011927137 /nfs/dbraw/zinc/92/71/37/1011927137.db2.gz UTUCVXYUJSEDCI-UHFFFAOYSA-N 1 0 374.441 2.507 20 5 FFBDRO O=C(CC[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1)NCc1ccco1 ZINC001172898133 1012071625 /nfs/dbraw/zinc/07/16/25/1012071625.db2.gz GSHIBWFPUFDPTO-MRXNPFEDSA-N 1 0 357.410 2.731 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@H]1CCC[C@H]1N1CCOCC1)CC2 ZINC001172902874 1012077819 /nfs/dbraw/zinc/07/78/19/1012077819.db2.gz MPFUFZSTOQIASJ-YZGWKJHDSA-N 1 0 359.470 2.685 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H](N(c1ncccn1)[C@H]1CCC[NH2+]C1)CC2 ZINC001172914278 1012097215 /nfs/dbraw/zinc/09/72/15/1012097215.db2.gz GFRGEHMZFVNQTJ-MJGOQNOKSA-N 1 0 367.453 2.891 20 5 FFBDRO O=C1CCC[C@]2(CCC[N@@H+]([C@@H]3CCc4ccc([N+](=O)[O-])cc4CC3)C2)N1 ZINC001172910551 1012123053 /nfs/dbraw/zinc/12/30/53/1012123053.db2.gz YWRLWKLMWMCXQE-YLJYHZDGSA-N 1 0 357.454 2.977 20 5 FFBDRO CCOC(=O)C1=C(O)CC[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172911664 1012125578 /nfs/dbraw/zinc/12/55/78/1012125578.db2.gz UUKMKJCXNPSPBS-AEFFLSMTSA-N 1 0 374.437 2.686 20 5 FFBDRO COC(CCC[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1)OC ZINC001173010118 1012180033 /nfs/dbraw/zinc/18/00/33/1012180033.db2.gz SCYRKUXFDXWVPZ-UHFFFAOYSA-N 1 0 373.400 2.831 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH2+]CC3(CO)CCC3)CC2)c(F)c1 ZINC001173012363 1012183908 /nfs/dbraw/zinc/18/39/08/1012183908.db2.gz RIDCLPNLOFHTKQ-UHFFFAOYSA-N 1 0 355.385 2.594 20 5 FFBDRO C[C@H]1C[C@H](O)CC[N@@H+]1C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173018631 1012188524 /nfs/dbraw/zinc/18/85/24/1012188524.db2.gz XRZREGGGRIXDPZ-SMDDNHRTSA-N 1 0 355.385 2.687 20 5 FFBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000870252283 1012285408 /nfs/dbraw/zinc/28/54/08/1012285408.db2.gz BTOVUEGYJAMQJA-UHFFFAOYSA-N 1 0 360.458 2.751 20 5 FFBDRO CCC1([NH+]2CCCC2)CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 ZINC000870271209 1012291135 /nfs/dbraw/zinc/29/11/35/1012291135.db2.gz HANACBFNQSWKTH-UHFFFAOYSA-N 1 0 364.421 2.797 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N(C)c2nc(C[NH3+])ccc2C)c1F ZINC001173174800 1012319893 /nfs/dbraw/zinc/31/98/93/1012319893.db2.gz CEDHMGWEFBFFJO-LBPRGKRZSA-N 1 0 362.405 2.972 20 5 FFBDRO CCOc1cc(C[NH2+][C@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])ncn1 ZINC001173179166 1012321422 /nfs/dbraw/zinc/32/14/22/1012321422.db2.gz KBCWZSUCWUFZHN-LLVKDONJSA-N 1 0 364.377 2.652 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]Cc2ccc3c(c2)CC(=O)N3)c1F ZINC001173182044 1012326099 /nfs/dbraw/zinc/32/60/99/1012326099.db2.gz YUJRPTKNFPSFAV-LLVKDONJSA-N 1 0 373.384 2.958 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CCN2CCC(F)CC2)c1F ZINC001173182661 1012326159 /nfs/dbraw/zinc/32/61/59/1012326159.db2.gz JIAIVJBDWZIVEP-LBPRGKRZSA-N 1 0 357.401 2.697 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CC[C@@H]([NH+]3CCCC3)C2)c1F ZINC001173189648 1012332529 /nfs/dbraw/zinc/33/25/29/1012332529.db2.gz LLDFNGAHVSUEPY-ZIAGYGMSSA-N 1 0 351.422 2.844 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2C[C@H]3[C@H](C2)CCC[N@@H+]3C)c1F ZINC001173192828 1012334312 /nfs/dbraw/zinc/33/43/12/1012334312.db2.gz NAZMMBDPILMNID-XEZPLFJOSA-N 1 0 351.422 2.700 20 5 FFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@]2(CCN2c2ncccn2)C1 ZINC001173222939 1012353951 /nfs/dbraw/zinc/35/39/51/1012353951.db2.gz DQNYTBZKAOSCHU-BEFAXECRSA-N 1 0 353.426 2.671 20 5 FFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccnc(N2CCCNC2=O)c1 ZINC001173224630 1012357897 /nfs/dbraw/zinc/35/78/97/1012357897.db2.gz OCHWOGHAVSFGSO-AWEZNQCLSA-N 1 0 369.425 2.630 20 5 FFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](CN1C(=O)CCC1=O)C(C)(C)C ZINC001173228831 1012365527 /nfs/dbraw/zinc/36/55/27/1012365527.db2.gz KRMDQOYWWQIEEX-CJNGLKHVSA-N 1 0 361.442 2.679 20 5 FFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCCCCCN1C(=O)C=CC1=O ZINC001173214448 1012369607 /nfs/dbraw/zinc/36/96/07/1012369607.db2.gz CCTKPOMCESTGBP-HNNXBMFYSA-N 1 0 359.426 2.601 20 5 FFBDRO COCC[NH+]1CCC(OC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CC1 ZINC000870461164 1012395921 /nfs/dbraw/zinc/39/59/21/1012395921.db2.gz FEDGYBIUVJTFQY-UHFFFAOYSA-N 1 0 362.426 2.671 20 5 FFBDRO C[N@@H+]1CCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)C2(CCCCC2)C1 ZINC000748379058 1017166683 /nfs/dbraw/zinc/16/66/83/1017166683.db2.gz KLFIOEKRGTYGGR-UHFFFAOYSA-N 1 0 365.405 2.590 20 5 FFBDRO Cc1c(C(=O)NC[C@@H](C)[NH+]2CCCCC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000748715311 1017563139 /nfs/dbraw/zinc/56/31/39/1017563139.db2.gz XJWYRPLNAKYPMY-LLVKDONJSA-N 1 0 364.402 2.724 20 5 FFBDRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000681800103 1018599585 /nfs/dbraw/zinc/59/95/85/1018599585.db2.gz ISMFUQCXTFIUJK-YLJYHZDGSA-N 1 0 363.461 2.754 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](OCC[NH+]3CCCC3)C2)c1C ZINC000901076753 1018720291 /nfs/dbraw/zinc/72/02/91/1018720291.db2.gz KOOUZDVQHQABQM-INIZCTEOSA-N 1 0 361.442 2.539 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCC[C@](CO)(c3ccccc3)C2)cc1 ZINC000801580567 1019138527 /nfs/dbraw/zinc/13/85/27/1019138527.db2.gz MZRAKPHZTQPLOD-PMACEKPBSA-N 1 0 356.422 2.654 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000929093087 1019270667 /nfs/dbraw/zinc/27/06/67/1019270667.db2.gz YPQMYWPPXTXSDK-CQSZACIVSA-N 1 0 362.430 2.799 20 5 FFBDRO C[C@H](NC(=O)c1cc([N+](=O)[O-])c(F)cc1N)[C@@H](c1ccccc1)[NH+](C)C ZINC000801952415 1019538073 /nfs/dbraw/zinc/53/80/73/1019538073.db2.gz WEXVLBVKNZBLQF-GTNSWQLSSA-N 1 0 360.389 2.737 20 5 FFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[NH2+]C3(CCC3)C2)c(F)c1N1CCOCC1 ZINC000900021707 1020142579 /nfs/dbraw/zinc/14/25/79/1020142579.db2.gz MRGKREVELXYGQB-CYBMUJFWSA-N 1 0 364.421 2.657 20 5 FFBDRO Cc1cccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C3)c1 ZINC001048525499 1020275056 /nfs/dbraw/zinc/27/50/56/1020275056.db2.gz XMBOVWGDDCTLSL-RHQZKXFESA-N 1 0 357.454 2.519 20 5 FFBDRO CCOc1cc(CN2CCc3nc[nH]c3C23CCOCC3)ccc1[N+](=O)[O-] ZINC000931108481 1020325190 /nfs/dbraw/zinc/32/51/90/1020325190.db2.gz ZSALRSGCNFQAMR-UHFFFAOYSA-N 1 0 372.425 2.781 20 5 FFBDRO Cc1nn(C[N@H+]2CCC[C@H](c3ccnn3C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000800860938 1020607357 /nfs/dbraw/zinc/60/73/57/1020607357.db2.gz ZUEGOZUYIMDRSE-AWEZNQCLSA-N 1 0 354.414 2.824 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1Cc2ccccc2OC2(CCOCC2)C1 ZINC000932036801 1020681312 /nfs/dbraw/zinc/68/13/12/1020681312.db2.gz IZADYKVWMIUUEU-UHFFFAOYSA-N 1 0 372.425 2.544 20 5 FFBDRO COc1cc([C@H](C)[NH2+][C@H]2CCO[C@H](c3ccnn3C)C2)cc([N+](=O)[O-])c1 ZINC000903186129 1020729276 /nfs/dbraw/zinc/72/92/76/1020729276.db2.gz ILSAOVGHYYSQMF-YEWDVWPNSA-N 1 0 360.414 2.908 20 5 FFBDRO COc1ccccc1CN(C)C(=O)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000932181392 1020734677 /nfs/dbraw/zinc/73/46/77/1020734677.db2.gz QNKNRZOSHVRDFB-CQSZACIVSA-N 1 0 357.410 2.913 20 5 FFBDRO Cn1cnc2cc(C[NH2+][C@H]3CCCC[C@H]3n3ccc([N+](=O)[O-])n3)ccc21 ZINC000903203572 1020737413 /nfs/dbraw/zinc/73/74/13/1020737413.db2.gz BYHVVTVNQUISAY-WMLDXEAASA-N 1 0 354.414 2.952 20 5 FFBDRO COC(=O)c1cc(C[NH2+][C@H](C)c2cc(OC)cc([N+](=O)[O-])c2)n(C)c1C ZINC000903219743 1020749665 /nfs/dbraw/zinc/74/96/65/1020749665.db2.gz JPOWUEUUZSUDOR-LLVKDONJSA-N 1 0 361.398 2.888 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(Br)c(O[C@@H]2C[NH2+]CCC[C@@H]2F)c1 ZINC001217989291 1032937073 /nfs/dbraw/zinc/93/70/73/1032937073.db2.gz ZWFCKFSRWGILIW-GZMMTYOYSA-N 1 0 351.147 2.965 20 5 FFBDRO CCC(CC)C(=O)N1CCC([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000749679026 1021019706 /nfs/dbraw/zinc/01/97/06/1021019706.db2.gz SZIWTIMSFCIVSZ-GOSISDBHSA-N 1 0 363.458 2.645 20 5 FFBDRO CNC(=O)c1ccc(C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000750031790 1021247412 /nfs/dbraw/zinc/24/74/12/1021247412.db2.gz CANWMLSVTCFUEY-LJQANCHMSA-N 1 0 369.421 2.652 20 5 FFBDRO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC001116526988 1021264480 /nfs/dbraw/zinc/26/44/80/1021264480.db2.gz KSEGLNKMPYUYOQ-VXGBXAGGSA-N 1 0 357.357 2.799 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](CO)CC1CCOCC1 ZINC001116801217 1021423056 /nfs/dbraw/zinc/42/30/56/1021423056.db2.gz TUBAEXDHKSCUCT-OAHLLOKOSA-N 1 0 352.431 2.508 20 5 FFBDRO Cc1c(Br)c(O[C@@H]2CCC[C@@]23CC[NH2+]C3)ncc1[N+](=O)[O-] ZINC001218097958 1032991907 /nfs/dbraw/zinc/99/19/07/1032991907.db2.gz WJQFXUHNXIMRGF-RISCZKNCSA-N 1 0 356.220 2.972 20 5 FFBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000014887664 1021710290 /nfs/dbraw/zinc/71/02/90/1021710290.db2.gz RBRMNOMORNPVTJ-GOSISDBHSA-N 1 0 356.426 2.694 20 5 FFBDRO O=[N+]([O-])c1ccc(I)cc1O[C@H]1CC[C@@]12CC[NH2+]C2 ZINC001218120730 1033007567 /nfs/dbraw/zinc/00/75/67/1033007567.db2.gz WNKOGKZETAKTBM-STQMWFEESA-N 1 0 374.178 2.720 20 5 FFBDRO O=[N+]([O-])c1cnn(CCSCc2cccc(CN3CCOCC3)c2)c1 ZINC001117992202 1022004579 /nfs/dbraw/zinc/00/45/79/1022004579.db2.gz MSSILSQIGIYSMJ-UHFFFAOYSA-N 1 0 362.455 2.557 20 5 FFBDRO [NH3+][C@@H]1CCCC[C@H]1C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001118263201 1022147722 /nfs/dbraw/zinc/14/77/22/1022147722.db2.gz DEZIDZCCUHNICI-VXGBXAGGSA-N 1 0 374.363 2.659 20 5 FFBDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C1 ZINC000750569257 1022185322 /nfs/dbraw/zinc/18/53/22/1022185322.db2.gz ZNCZTBKQDPGUKB-AWEZNQCLSA-N 1 0 362.474 2.901 20 5 FFBDRO O=[N+]([O-])c1ccc(O[C@H]2C[C@H]3[NH2+]CC[C@H]3C2)cc1I ZINC001218253462 1033069713 /nfs/dbraw/zinc/06/97/13/1033069713.db2.gz XLAITNNGDQLHGK-MKPLZMMCSA-N 1 0 374.178 2.719 20 5 FFBDRO O=[N+]([O-])c1ccc(O[C@@H]2C[C@H]3CC[NH2+][C@H]3C2)cc1I ZINC001218253464 1033071082 /nfs/dbraw/zinc/07/10/82/1033071082.db2.gz XLAITNNGDQLHGK-UISBYWKRSA-N 1 0 374.178 2.719 20 5 FFBDRO CC1(C)[C@@H]2[NH2+]CCC[C@@H]2[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC001119306812 1022669098 /nfs/dbraw/zinc/66/90/98/1022669098.db2.gz HZZXWNCYVMIALE-XKQJLSEDSA-N 1 0 354.410 2.649 20 5 FFBDRO O=[N+]([O-])c1cc(O[C@H]2C[C@H]3[NH2+]CC[C@H]3C2)ccc1I ZINC001218253077 1033071311 /nfs/dbraw/zinc/07/13/11/1033071311.db2.gz WMLRZPZVCBKIQQ-MKPLZMMCSA-N 1 0 374.178 2.719 20 5 FFBDRO O=C(COc1ccc([N+](=O)[O-])cc1)NC1CCC([NH+]2CCCCC2)CC1 ZINC000750866066 1022672116 /nfs/dbraw/zinc/67/21/16/1022672116.db2.gz LSZOBWIELHDYMA-UHFFFAOYSA-N 1 0 361.442 2.887 20 5 FFBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000751398104 1022822869 /nfs/dbraw/zinc/82/28/69/1022822869.db2.gz YZRXAEQKAXGGRT-UTCJRWHESA-N 1 0 373.453 2.569 20 5 FFBDRO CN(CC1([NH+](C)C)CCC1)c1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000188517139 1023092620 /nfs/dbraw/zinc/09/26/20/1023092620.db2.gz HVPSZDSSMYTIIO-UHFFFAOYSA-N 1 0 360.458 2.751 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC001122314296 1023183512 /nfs/dbraw/zinc/18/35/12/1023183512.db2.gz YNPAVBOVGIMMTQ-XLIONFOSSA-N 1 0 367.405 2.889 20 5 FFBDRO O=C1NC2(CO1)CC[NH+](Cc1ccc(-c3ccccc3[N+](=O)[O-])o1)CC2 ZINC000753587090 1023356071 /nfs/dbraw/zinc/35/60/71/1023356071.db2.gz LCQIKMAJMSEGHN-UHFFFAOYSA-N 1 0 357.366 2.929 20 5 FFBDRO CC(C)[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1nnc2ccccn21 ZINC000754187510 1023436643 /nfs/dbraw/zinc/43/66/43/1023436643.db2.gz UFUNGZXQEFHOPT-RDJZCZTQSA-N 1 0 355.398 2.658 20 5 FFBDRO C[C@H]1C[NH2+]CC[C@H]1Oc1ccc([N+](=O)[O-])c(I)c1 ZINC001218415716 1033146286 /nfs/dbraw/zinc/14/62/86/1033146286.db2.gz PQASHADGNPFTBH-QPUJVOFHSA-N 1 0 362.167 2.576 20 5 FFBDRO O=[N+]([O-])c1cc(I)ccc1O[C@H]1C[NH2+]CCC12CC2 ZINC001218407122 1033141692 /nfs/dbraw/zinc/14/16/92/1033141692.db2.gz UIOHHLLMRVPKMR-LBPRGKRZSA-N 1 0 374.178 2.720 20 5 FFBDRO C[C@@H]1CC[C@@H](Oc2cccc(I)c2[N+](=O)[O-])C[NH2+]1 ZINC001218409208 1033142354 /nfs/dbraw/zinc/14/23/54/1033142354.db2.gz XZPXBDTVXQPBDV-RKDXNWHRSA-N 1 0 362.167 2.719 20 5 FFBDRO C[C@@H](OC(=O)CCn1cc([N+](=O)[O-])cn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000755891982 1023647515 /nfs/dbraw/zinc/64/75/15/1023647515.db2.gz YYSQSKLHASXCTN-WBVHZDCISA-N 1 0 372.425 2.635 20 5 FFBDRO C[C@@H](OC(=O)CCn1cc([N+](=O)[O-])cn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000755891980 1023647536 /nfs/dbraw/zinc/64/75/36/1023647536.db2.gz YYSQSKLHASXCTN-NVXWUHKLSA-N 1 0 372.425 2.635 20 5 FFBDRO CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1C[NH+](Cc2c(C)ccc3ccccc32)C1 ZINC000950055930 1023694726 /nfs/dbraw/zinc/69/47/26/1023694726.db2.gz RCTMKXOFJANXAU-UYAOXDASSA-N 1 0 367.449 2.846 20 5 FFBDRO O=[N+]([O-])c1ccc(I)c(O[C@@H]2CC[C@H]3C[NH2+]C[C@H]32)c1 ZINC001218460824 1033166886 /nfs/dbraw/zinc/16/68/86/1033166886.db2.gz NZVALLLYMCDNCZ-MKPLZMMCSA-N 1 0 374.178 2.576 20 5 FFBDRO COc1c(=O)n2c3ccccc3c3ccnc(c32)c1O[C@H]1C[NH2+]CC[C@H]1C ZINC001218483569 1033175040 /nfs/dbraw/zinc/17/50/40/1033175040.db2.gz SPCGTRBRQFUDHP-WBMJQRKESA-N 1 0 363.417 2.824 20 5 FFBDRO O=C(NCc1ccc(Br)cc1[N+](=O)[O-])[C@@H]1[NH2+]CC12CCCC2 ZINC001122131772 1024369924 /nfs/dbraw/zinc/36/99/24/1024369924.db2.gz ONGNMLTVFNSYJW-ZDUSSCGKSA-N 1 0 368.231 2.506 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CO[C@H]1CC[C@@H]([NH+]2CCOCC2)CC1 ZINC001223107330 1033291750 /nfs/dbraw/zinc/29/17/50/1033291750.db2.gz KHDLWUCGTVWITF-WOVMCDHWSA-N 1 0 350.415 2.763 20 5 FFBDRO CC[NH+]1CCN(CC(C)(C)NC(=O)/C(C)=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000837136069 1025605732 /nfs/dbraw/zinc/60/57/32/1025605732.db2.gz XCRNKTWAOMBTBF-PEZBUJJGSA-N 1 0 374.485 2.530 20 5 FFBDRO O=C(O[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000837439073 1025808476 /nfs/dbraw/zinc/80/84/76/1025808476.db2.gz YZZFRZKAVDPQBT-KRWDZBQOSA-N 1 0 371.349 2.934 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H](O)CN2CCC[N@H+](Cc3ccccc3)CC2)c1 ZINC000246341843 1026031493 /nfs/dbraw/zinc/03/14/93/1026031493.db2.gz UTQRBYXHNWWZMI-HXUWFJFHSA-N 1 0 355.438 2.836 20 5 FFBDRO Cc1cc(NC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)ccc1OCC[NH+](C)C ZINC000838175098 1026242198 /nfs/dbraw/zinc/24/21/98/1026242198.db2.gz LOFUIHHNLQKWLQ-SFHVURJKSA-N 1 0 373.409 2.516 20 5 FFBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000840370565 1027063493 /nfs/dbraw/zinc/06/34/93/1027063493.db2.gz YLKJTUHQBJRDLF-OAHLLOKOSA-N 1 0 368.437 2.665 20 5 FFBDRO C[N@H+](C1CN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)C1)[C@H]1CCOC1 ZINC001158734319 1027116093 /nfs/dbraw/zinc/11/60/93/1027116093.db2.gz COFYYUSKPWKMPA-HNNXBMFYSA-N 1 0 372.400 2.705 20 5 FFBDRO CSc1nc(Cl)c([N+](=O)[O-])c(-n2cc(CC[NH3+])c3ncccc32)n1 ZINC001158746322 1027120239 /nfs/dbraw/zinc/12/02/39/1027120239.db2.gz UFFLDSZIKWLYEG-UHFFFAOYSA-N 1 0 364.818 2.600 20 5 FFBDRO [NH3+]CCOCCOCCNc1ccc2ccc3ccc(Cl)nc3c2n1 ZINC001159445829 1027390745 /nfs/dbraw/zinc/39/07/45/1027390745.db2.gz UZLJYGKDWVGUJI-UHFFFAOYSA-N 1 0 360.845 2.840 20 5 FFBDRO [NH3+]C[C@]1(Nc2ccc3c(ccc(Cl)c3[N+](=O)[O-])n2)CN2CCC1CC2 ZINC001160512717 1027730705 /nfs/dbraw/zinc/73/07/05/1027730705.db2.gz DWUNMQFPDUSRDX-KRWDZBQOSA-N 1 0 361.833 2.631 20 5 FFBDRO Nc1cc(-n2cc(C[NH3+])c3ccc(Br)cc32)ncc1[N+](=O)[O-] ZINC001160756664 1027861611 /nfs/dbraw/zinc/86/16/11/1027861611.db2.gz BKFRYKLIHSBRMK-UHFFFAOYSA-N 1 0 362.187 2.737 20 5 FFBDRO [NH3+]C/C=C/CNC(F)(F)c1cc(-c2ccc([N+](=O)[O-])cc2)nnc1Cl ZINC001160983731 1027958859 /nfs/dbraw/zinc/95/88/59/1027958859.db2.gz VIWYPGYGZXWLGR-OWOJBTEDSA-N 1 0 369.759 2.859 20 5 FFBDRO O=[N+]([O-])c1c[nH]c2ccc(NC3CC[NH+](Cc4ccncc4)CC3)nc21 ZINC001161103863 1028013015 /nfs/dbraw/zinc/01/30/15/1028013015.db2.gz KBKGXKMATHNZKR-UHFFFAOYSA-N 1 0 352.398 2.943 20 5 FFBDRO C[C@@H](CCNC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC001154077689 1028137221 /nfs/dbraw/zinc/13/72/21/1028137221.db2.gz CCKVBMWIXDANPH-NSHDSACASA-N 1 0 354.838 2.825 20 5 FFBDRO COC(=O)c1ccc(C[NH3+])n1-c1nc2ccccc2c(Cl)c1[N+](=O)[O-] ZINC001161934144 1028367563 /nfs/dbraw/zinc/36/75/63/1028367563.db2.gz IQQUUYSWPIJLCF-UHFFFAOYSA-N 1 0 360.757 2.832 20 5 FFBDRO COc1cccc(C2(Nc3ncc(OC)cc3[N+](=O)[O-])CC[NH2+]CC2)c1 ZINC001161995232 1028388121 /nfs/dbraw/zinc/38/81/21/1028388121.db2.gz JGGKLTYGHZPFNH-UHFFFAOYSA-N 1 0 358.398 2.698 20 5 FFBDRO O=[N+]([O-])c1ccc2ncc(NCC3(c4cccnc4)CC[NH2+]CC3)nc2c1 ZINC001162035678 1028407512 /nfs/dbraw/zinc/40/75/12/1028407512.db2.gz BXLXTQKCQHWFAR-UHFFFAOYSA-N 1 0 364.409 2.666 20 5 FFBDRO CC(C)Oc1nc(NCC2(c3cccnc3)CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC001162039130 1028409630 /nfs/dbraw/zinc/40/96/30/1028409630.db2.gz ANAARGPLMCHWTQ-UHFFFAOYSA-N 1 0 371.441 2.905 20 5 FFBDRO O=[N+]([O-])c1cccc2ncnc(NCC3(c4cccnc4)CC[NH2+]CC3)c21 ZINC001162040667 1028409744 /nfs/dbraw/zinc/40/97/44/1028409744.db2.gz XUKURNNRQUNTBO-UHFFFAOYSA-N 1 0 364.409 2.666 20 5 FFBDRO CCc1cc(N[C@@]2(C)CCC[N@H+](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001162338529 1028507273 /nfs/dbraw/zinc/50/72/73/1028507273.db2.gz BHYGDHIXMSWTJD-IBGZPJMESA-N 1 0 355.442 2.932 20 5 FFBDRO Nc1cc([N+](=O)[O-])cnc1NCCCP(CCC[NH3+])c1ccccc1 ZINC001162469225 1028548875 /nfs/dbraw/zinc/54/88/75/1028548875.db2.gz OOQSEQAYYYOWGK-UHFFFAOYSA-N 1 0 361.386 2.530 20 5 FFBDRO [NH3+]CCc1cn(-c2c(Cl)[n+]([O-])ccc2[N+](=O)[O-])c2cccc(Cl)c12 ZINC001162658631 1028611084 /nfs/dbraw/zinc/61/10/84/1028611084.db2.gz FNUHLBWTTOFPSU-UHFFFAOYSA-N 1 0 367.192 2.980 20 5 FFBDRO [NH3+]CC1CN([C@H]2CCCN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)C2)C1 ZINC001155382362 1028709800 /nfs/dbraw/zinc/70/98/00/1028709800.db2.gz LZBNQOQFVCBQSF-KRWDZBQOSA-N 1 0 367.453 2.516 20 5 FFBDRO NC1=CC=C(C2CCN(c3ccc4ccc([N+](=O)[O-])cc4n3)CC2)[NH2+]C1 ZINC001163131008 1028816037 /nfs/dbraw/zinc/81/60/37/1028816037.db2.gz JESCXWCWAUDTDA-UHFFFAOYSA-N 1 0 351.410 2.689 20 5 FFBDRO O=[N+]([O-])c1ccc2nc(Cl)nc(N[C@@H]3CCO[C@@]4(CC[NH2+]C4)C3)c2c1 ZINC001155620059 1028819574 /nfs/dbraw/zinc/81/95/74/1028819574.db2.gz STAVDLCHOBLYKK-HWPZZCPQSA-N 1 0 363.805 2.514 20 5 FFBDRO CCc1cc(N[C@H]2C[NH+]3CCC2CC3)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001155666965 1028841907 /nfs/dbraw/zinc/84/19/07/1028841907.db2.gz CYBFCTPJJAZXTG-KRWDZBQOSA-N 1 0 353.426 2.542 20 5 FFBDRO Cc1nc(Cl)c([N+](=O)[O-])c(-n2ccc3cc(N4CC[NH2+]CC4)ccc32)n1 ZINC001156207038 1029090236 /nfs/dbraw/zinc/09/02/36/1029090236.db2.gz QIALNGKTPFWXLL-UHFFFAOYSA-N 1 0 372.816 2.700 20 5 FFBDRO C[C@H]1CC[C@H](C[NH3+])CN1c1nc(C(F)(F)F)nc(Cl)c1[N+](=O)[O-] ZINC001164473923 1029288793 /nfs/dbraw/zinc/28/87/93/1029288793.db2.gz LBASHTNLDIMOOJ-NKWVEPMBSA-N 1 0 353.732 2.621 20 5 FFBDRO COc1ncc([N+](=O)[O-])c(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC001164486404 1029294061 /nfs/dbraw/zinc/29/40/61/1029294061.db2.gz NXIBBNPFEFKSLE-ARFHVFGLSA-N 1 0 369.425 2.716 20 5 FFBDRO O=[N+]([O-])c1cnc(N2C[C@H]3[C@@H](CC[N@@H+]3Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001165083550 1029370911 /nfs/dbraw/zinc/37/09/11/1029370911.db2.gz GXWKUOUYSBUNLE-YOEHRIQHSA-N 1 0 369.381 2.609 20 5 FFBDRO COc1nc(N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001165090374 1029379969 /nfs/dbraw/zinc/37/99/69/1029379969.db2.gz YTJKYOBRZMZPII-DOTOQJQBSA-N 1 0 354.410 2.709 20 5 FFBDRO CC[N@H+]([C@@H]1CCOC1)C1CCN(c2cc(Cl)ncc2[N+](=O)[O-])CC1 ZINC001165107011 1029393298 /nfs/dbraw/zinc/39/32/98/1029393298.db2.gz CXWQEYGZRICOHQ-CYBMUJFWSA-N 1 0 354.838 2.723 20 5 FFBDRO CC[N@H+]([C@@H]1CCOC1)C1CCN(c2cnc3ccc([N+](=O)[O-])cc3n2)CC1 ZINC001165109300 1029396945 /nfs/dbraw/zinc/39/69/45/1029396945.db2.gz SQTBEYVHGORTPD-MRXNPFEDSA-N 1 0 371.441 2.618 20 5 FFBDRO CC1([NH+]2CCOCC2)CCN(c2ccc3cccc([N+](=O)[O-])c3n2)CC1 ZINC001165135223 1029414422 /nfs/dbraw/zinc/41/44/22/1029414422.db2.gz UFXYIFFPBPBGRA-UHFFFAOYSA-N 1 0 356.426 2.834 20 5 FFBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2CCC(C)([NH+]3CCOCC3)CC2)n1 ZINC001165135635 1029416493 /nfs/dbraw/zinc/41/64/93/1029416493.db2.gz ZXTFNOPFOIKXSB-UHFFFAOYSA-N 1 0 354.838 2.643 20 5 FFBDRO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1N(C)c1cc(N)c([N+](=O)[O-])cn1 ZINC001165183085 1029438785 /nfs/dbraw/zinc/43/87/85/1029438785.db2.gz PXKGATLLTAGDDP-RDTXWAMCSA-N 1 0 355.442 2.919 20 5 FFBDRO COc1nc(-n2cc(C3CC[NH2+]CC3)c3cccc(F)c32)ncc1[N+](=O)[O-] ZINC001157355586 1029563817 /nfs/dbraw/zinc/56/38/17/1029563817.db2.gz RRPBOIKVQVWJQF-UHFFFAOYSA-N 1 0 371.372 2.943 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H](CO)c2ccc(C(F)(F)F)cc2)cc1 ZINC000782091608 1029566076 /nfs/dbraw/zinc/56/60/76/1029566076.db2.gz PGDJGRHVCUIXAR-JKSUJKDBSA-N 1 0 370.327 2.970 20 5 FFBDRO O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1-n1nc(C2CC[NH2+]CC2)c2ccccc21 ZINC001157381901 1029570063 /nfs/dbraw/zinc/57/00/63/1029570063.db2.gz YUSVFYDQVMJQKH-UHFFFAOYSA-N 1 0 373.800 2.688 20 5 FFBDRO COc1ccc(CN(c2cc([N+](=O)[O-])ccn2)C2CC[NH2+]CC2)cc1F ZINC001158004240 1029707407 /nfs/dbraw/zinc/70/74/07/1029707407.db2.gz BXVZVBUXXYUSBH-UHFFFAOYSA-N 1 0 360.389 2.896 20 5 FFBDRO COc1ccc(CN(c2nc(C)ncc2[N+](=O)[O-])[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001158154790 1029746381 /nfs/dbraw/zinc/74/63/81/1029746381.db2.gz OLJACPMKBSENNX-WKILWMFISA-N 1 0 371.441 2.978 20 5 FFBDRO Cc1cc(NCc2ncn3c2C[NH2+]CCC3)nc2ccc([N+](=O)[O-])cc12 ZINC001158356704 1029807018 /nfs/dbraw/zinc/80/70/18/1029807018.db2.gz ZXBQQAYAECFYHJ-UHFFFAOYSA-N 1 0 352.398 2.753 20 5 FFBDRO C[C@H]([NH2+][C@H](COC(N)=O)Cc1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000840863481 1029896554 /nfs/dbraw/zinc/89/65/54/1029896554.db2.gz JJYASAIMZDCOIL-WFASDCNBSA-N 1 0 358.398 2.948 20 5 FFBDRO CC1([C@@H]2CCC[N@H+](Cn3cc(-c4ccc([N+](=O)[O-])cc4)cn3)C2)OCCO1 ZINC000784039758 1030435736 /nfs/dbraw/zinc/43/57/36/1030435736.db2.gz VBTMDHMULBWNTI-QGZVFWFLSA-N 1 0 372.425 2.891 20 5 FFBDRO COc1nc(N(CC[NH3+])Cc2ccc(Cl)cc2Cl)ncc1[N+](=O)[O-] ZINC001166908767 1030570559 /nfs/dbraw/zinc/57/05/59/1030570559.db2.gz ZJLSYSZFLOUZDV-UHFFFAOYSA-N 1 0 372.212 2.666 20 5 FFBDRO O=C(CCN1CC[NH2+]C[C@@H]1c1ccccc1)Nc1cc([N+](=O)[O-])ccc1F ZINC000842478667 1030754892 /nfs/dbraw/zinc/75/48/92/1030754892.db2.gz LQQUYDRLCKLAIV-GOSISDBHSA-N 1 0 372.400 2.709 20 5 FFBDRO CC(C)NC(=O)OC[C@@H]1CCCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000796706217 1030888293 /nfs/dbraw/zinc/88/82/93/1030888293.db2.gz IZUDGJOBPMQLCJ-DLBZAZTESA-N 1 0 365.430 2.617 20 5 FFBDRO Cn1nccc1[C@H](O)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC001203810920 1030901480 /nfs/dbraw/zinc/90/14/80/1030901480.db2.gz YDMDJZXJNIBKKW-MRXNPFEDSA-N 1 0 358.423 2.880 20 5 FFBDRO CC(C)[N@@H+]1CCC[C@H](COC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000842833292 1030979889 /nfs/dbraw/zinc/97/98/89/1030979889.db2.gz KKOMLJVIWQMVFI-ZDUSSCGKSA-N 1 0 364.398 2.643 20 5 FFBDRO C[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H](O)c1cccc(F)c1 ZINC000843101020 1031182622 /nfs/dbraw/zinc/18/26/22/1031182622.db2.gz FRLVRABLPHPSQY-KPZWWZAWSA-N 1 0 361.373 2.774 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCNc1ccc(OCC[NH3+])cc1 ZINC000843367782 1031361061 /nfs/dbraw/zinc/36/10/61/1031361061.db2.gz TURIIAXOZNSIGV-UHFFFAOYSA-N 1 0 358.398 2.681 20 5 FFBDRO [NH3+]Cc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1 ZINC000843512355 1031438149 /nfs/dbraw/zinc/43/81/49/1031438149.db2.gz IBINVVWWCRMPCB-UHFFFAOYSA-N 1 0 368.437 2.974 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C1CC(CNC(=O)OC(C)(C)C)C1 ZINC001204952538 1031475479 /nfs/dbraw/zinc/47/54/79/1031475479.db2.gz FAFIACPLCAGKFW-UHFFFAOYSA-N 1 0 365.430 2.996 20 5 FFBDRO O=[N+]([O-])c1cc(CO[C@H]2CC[C@H]([NH+]3CCOCC3)CC2)cc([N+](=O)[O-])c1 ZINC001223488216 1033465563 /nfs/dbraw/zinc/46/55/63/1033465563.db2.gz MNQUBTSBDLCQES-CZIWCDLHSA-N 1 0 365.386 2.663 20 5 FFBDRO O=[N+]([O-])c1cc(CO[C@H]2CC[C@@H]([NH+]3CCOCC3)CC2)cc([N+](=O)[O-])c1 ZINC001223490000 1033469175 /nfs/dbraw/zinc/46/91/75/1033469175.db2.gz MNQUBTSBDLCQES-KDYLLFBJSA-N 1 0 365.386 2.663 20 5 FFBDRO O=C(NCc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000830213654 1033514969 /nfs/dbraw/zinc/51/49/69/1033514969.db2.gz METVVYAREMXNNU-MRXNPFEDSA-N 1 0 357.385 2.872 20 5 FFBDRO [NH3+][C@@H](Cc1c2ccccc2cc2ccccc21)C(=O)NCCn1ccnc1 ZINC001219563586 1033692554 /nfs/dbraw/zinc/69/25/54/1033692554.db2.gz BOGWEPVVVOWTFK-NRFANRHFSA-N 1 0 358.445 2.876 20 5 FFBDRO CC1([NH+]2CCCCC2)CCN(C(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000832253930 1034676448 /nfs/dbraw/zinc/67/64/48/1034676448.db2.gz SGLQWQIZNHPWJX-UHFFFAOYSA-N 1 0 361.442 2.841 20 5 FFBDRO O=C1C[C@H]2C[C@@H](Oc3ccc([N+](=O)[O-])nc3)[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001226712894 1034800658 /nfs/dbraw/zinc/80/06/58/1034800658.db2.gz RIRYEXRLZBWYMR-BMGDILEWSA-N 1 0 353.378 2.743 20 5 FFBDRO O=[N+]([O-])c1ccc(OC[C@H](O)C[N@@H+]2CCc3ccccc3C2)c(F)c1F ZINC000834388860 1035374614 /nfs/dbraw/zinc/37/46/14/1035374614.db2.gz XBXZFCRGRSCNML-CQSZACIVSA-N 1 0 364.348 2.671 20 5 FFBDRO O=[N+]([O-])c1ccc(OC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c(F)c1F ZINC000834388859 1035374726 /nfs/dbraw/zinc/37/47/26/1035374726.db2.gz XBXZFCRGRSCNML-AWEZNQCLSA-N 1 0 364.348 2.671 20 5 FFBDRO C[C@H](C[NH+](C)C)Oc1ccccc1C(=O)Nc1ncc([N+](=O)[O-])s1 ZINC001227514945 1035593453 /nfs/dbraw/zinc/59/34/53/1035593453.db2.gz FRSUPDIQJIGQSG-SNVBAGLBSA-N 1 0 350.400 2.633 20 5 FFBDRO O=[N+]([O-])c1ccc2[nH]c(O[C@H]3COCC[N@H+](Cc4ccccc4)C3)nc2c1 ZINC001227742529 1035709258 /nfs/dbraw/zinc/70/92/58/1035709258.db2.gz AQJCLIXCHJJHPY-MRXNPFEDSA-N 1 0 368.393 2.751 20 5 FFBDRO C[C@@H](C[NH+](C)C)Oc1ccc([N+](=O)[O-])c(I)c1 ZINC001227992645 1035855938 /nfs/dbraw/zinc/85/59/38/1035855938.db2.gz VLUWRNPFABNODX-QMMMGPOBSA-N 1 0 350.156 2.528 20 5 FFBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc(Sc2ccc(O)cc2)cc1 ZINC001228104061 1035934851 /nfs/dbraw/zinc/93/48/51/1035934851.db2.gz KGBZFTYVFJJKLP-OAHLLOKOSA-O 1 0 362.471 2.906 20 5 FFBDRO C[NH+]1CCC(Oc2cc(I)ccc2[N+](=O)[O-])CC1 ZINC001229151306 1036524273 /nfs/dbraw/zinc/52/42/73/1036524273.db2.gz DSOMYWRNFGLLDI-UHFFFAOYSA-N 1 0 362.167 2.672 20 5 FFBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1c(F)c(Cl)ccc1Br ZINC001234203731 1036962808 /nfs/dbraw/zinc/96/28/08/1036962808.db2.gz MXRKSNSQVIKNEE-MRVPVSSYSA-N 1 0 369.638 2.604 20 5 FFBDRO Cc1nccc([N+](=O)[O-])c1OC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001234901818 1037231761 /nfs/dbraw/zinc/23/17/61/1037231761.db2.gz SBXGPKNWMPNFPL-KRWDZBQOSA-N 1 0 357.410 2.968 20 5 FFBDRO CC(=O)Cc1c(F)c(O[C@H]2[C@@H]3CCC[C@H]2C[N@@H+](C)C3)ccc1[N+](=O)[O-] ZINC001230796014 1037361494 /nfs/dbraw/zinc/36/14/94/1037361494.db2.gz GGQSATHDZJVCOP-MCBXIFIFSA-N 1 0 350.390 2.975 20 5 FFBDRO Cc1ccc(S(=O)(=O)NCCC[N@H+]2CCCC[C@H]2C)c(C)c1[N+](=O)[O-] ZINC001208040243 1037964379 /nfs/dbraw/zinc/96/43/79/1037964379.db2.gz FBUIIUOISPUNQA-CQSZACIVSA-N 1 0 369.487 2.754 20 5 FFBDRO COc1cccc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])c(OC)c3)CC2)n1 ZINC001256088059 1038372660 /nfs/dbraw/zinc/37/26/60/1038372660.db2.gz ABHGYWIWHOQMMF-UHFFFAOYSA-N 1 0 372.425 2.766 20 5 FFBDRO COc1cc(N2CCC([NH2+]C3CN(C(C)(C)C)C3)CC2)ccc1[N+](=O)[O-] ZINC001256092376 1038378051 /nfs/dbraw/zinc/37/80/51/1038378051.db2.gz LIHRXFGSFLCPMF-UHFFFAOYSA-N 1 0 362.474 2.645 20 5 FFBDRO COc1cc(N2CCC([N@H+]3CCC(=O)[C@@H](C)CC3)CC2)ccc1[N+](=O)[O-] ZINC001256093257 1038380712 /nfs/dbraw/zinc/38/07/12/1038380712.db2.gz IWVGGPLQZFXDJQ-AWEZNQCLSA-N 1 0 361.442 2.873 20 5 FFBDRO C[C@H]1C[NH+](CCc2nnc(-c3cc4cccc([N+](=O)[O-])c4[nH]3)o2)C[C@H](C)O1 ZINC001258027120 1039124890 /nfs/dbraw/zinc/12/48/90/1039124890.db2.gz JFQYRZBSCGKJFP-RYUDHWBXSA-N 1 0 371.397 2.778 20 5 FFBDRO C[C@@H]1C[NH+](CCc2nnc(-c3ccc([N+](=O)[O-])c(Cl)c3)o2)C[C@@H](C)O1 ZINC001258136888 1039214382 /nfs/dbraw/zinc/21/43/82/1039214382.db2.gz DENWUWJCLPHJCQ-GHMZBOCLSA-N 1 0 366.805 2.950 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])cc1-c1nnc(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC001258145551 1039226714 /nfs/dbraw/zinc/22/67/14/1039226714.db2.gz IKBRNJBWCJYADW-OKILXGFUSA-N 1 0 360.414 2.913 20 5 FFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC001246201227 1039276714 /nfs/dbraw/zinc/27/67/14/1039276714.db2.gz HWHISCDSLWJCBJ-YOEHRIQHSA-N 1 0 365.474 2.955 20 5 FFBDRO COc1ccc(F)c(-c2noc(C[C@H]([NH3+])Cc3ccc([N+](=O)[O-])cc3)n2)c1 ZINC001248215364 1040177856 /nfs/dbraw/zinc/17/78/56/1040177856.db2.gz BSBHCLUUAYEOMB-GFCCVEGCSA-N 1 0 372.356 2.905 20 5 FFBDRO CN(C)c1ccccc1-c1noc(C[C@@H]([NH3+])c2cccc([N+](=O)[O-])c2)n1 ZINC001249277490 1040664990 /nfs/dbraw/zinc/66/49/90/1040664990.db2.gz OLQQZDHPOUQQEV-OAHLLOKOSA-N 1 0 353.382 2.953 20 5 FFBDRO NC(=O)C1([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCCCCC1 ZINC001254465859 1040734310 /nfs/dbraw/zinc/73/43/10/1040734310.db2.gz NNVBLASQJNWQAQ-UHFFFAOYSA-N 1 0 360.458 2.732 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CC2(CN(c3ccccc3)C2=O)C1 ZINC001254559655 1040796812 /nfs/dbraw/zinc/79/68/12/1040796812.db2.gz LPDIGXAJPIKHLM-OAHLLOKOSA-N 1 0 351.406 2.875 20 5 FFBDRO CC[NH+](CC)CCCN1CCN([C@@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254560275 1040796885 /nfs/dbraw/zinc/79/68/85/1040796885.db2.gz REZRVAGGUORMLE-SFHVURJKSA-N 1 0 362.518 2.875 20 5 FFBDRO CCOC[C@@H]1C[N@@H+]([C@@H](C)Cc2ccccc2[N+](=O)[O-])Cc2cn(C)nc21 ZINC001254563214 1040802807 /nfs/dbraw/zinc/80/28/07/1040802807.db2.gz XXFQMYIQXKAHJO-YOEHRIQHSA-N 1 0 358.442 2.895 20 5 FFBDRO COc1cnc(OC2CC[NH+]([C@H](C)Cc3ccccc3[N+](=O)[O-])CC2)nc1 ZINC001254568015 1040805103 /nfs/dbraw/zinc/80/51/03/1040805103.db2.gz FEDRQJKHRXSOFZ-CQSZACIVSA-N 1 0 372.425 2.868 20 5 FFBDRO O=C(c1ccc(F)cc1)N1CC[C@H]([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254586303 1040818947 /nfs/dbraw/zinc/81/89/47/1040818947.db2.gz PMDDTVRXRKCNSG-ZWKOTPCHSA-N 1 0 369.396 2.705 20 5 FFBDRO CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@H]([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254589852 1040820642 /nfs/dbraw/zinc/82/06/42/1040820642.db2.gz SGAQFCINOCOYFN-UOVPBQLFSA-N 1 0 373.453 2.907 20 5 FFBDRO CC(C)[N@@H+]1CCOC[C@@]2(CCCN([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)C1 ZINC001254592717 1040822449 /nfs/dbraw/zinc/82/24/49/1040822449.db2.gz GAANOPWFXBAFGJ-RTWAWAEBSA-N 1 0 373.497 2.885 20 5 FFBDRO Cc1noc([C@H]2CC[C@@H]3[C@@H](CC[N@@H+]3[C@H]3Cc4ccc([N+](=O)[O-])cc4C3)O2)n1 ZINC001254595245 1040825102 /nfs/dbraw/zinc/82/51/02/1040825102.db2.gz HRULBHDSMMAXQC-BSDSXHPESA-N 1 0 370.409 2.748 20 5 FFBDRO COc1ccc(O[C@@H]2CC[N@@H+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)nc1 ZINC001254612162 1040841300 /nfs/dbraw/zinc/84/13/00/1040841300.db2.gz VOQVWGVIPOALTC-SJLPKXTDSA-N 1 0 355.394 2.619 20 5 FFBDRO COC(=O)c1ccc(C2C[NH+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)cc1 ZINC001254612384 1040841722 /nfs/dbraw/zinc/84/17/22/1040841722.db2.gz VVDDQRZMUGJTJF-IBGZPJMESA-N 1 0 352.390 2.948 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H](N(c1ccncc1F)C1CC[NH2+]CC1)C2 ZINC001254612167 1040841740 /nfs/dbraw/zinc/84/17/40/1040841740.db2.gz VOXYWVCSSTYBPF-QGZVFWFLSA-N 1 0 356.401 2.855 20 5 FFBDRO Cc1ccc(C[C@@H](C)[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC001254736748 1040920843 /nfs/dbraw/zinc/92/08/43/1040920843.db2.gz JFPUIWPIYDGEBL-OAHLLOKOSA-N 1 0 362.451 2.898 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCN(c3cc[nH+]cc3)C[C@H]2C)c1C ZINC001537990459 1070313064 /nfs/dbraw/zinc/31/30/64/1070313064.db2.gz OKSBMLCGTKYYIN-CQSZACIVSA-N 1 0 354.410 2.958 20 5 FFBDRO O=[N+]([O-])c1ccccc1-n1ccc(-c2nc([C@@H]3C[NH+]4CCC3CC4)no2)n1 ZINC001254849923 1041006600 /nfs/dbraw/zinc/00/66/00/1041006600.db2.gz GJIZRDHKHYDZMS-CYBMUJFWSA-N 1 0 366.381 2.640 20 5 FFBDRO O=c1[nH]cc(-c2nnc([C@H]3CC[N@H+](Cc4ccccc4)C3)o2)cc1[N+](=O)[O-] ZINC001255450451 1041343884 /nfs/dbraw/zinc/34/38/84/1041343884.db2.gz AWNCRCZFWAUFOR-ZDUSSCGKSA-N 1 0 367.365 2.735 20 5 FFBDRO O=c1[nH]cc([N+](=O)[O-])cc1-c1nnc([C@@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC001255457330 1041347348 /nfs/dbraw/zinc/34/73/48/1041347348.db2.gz ULPUJBFHXSXDMJ-CYBMUJFWSA-N 1 0 367.365 2.735 20 5 FFBDRO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC001262050078 1041531688 /nfs/dbraw/zinc/53/16/88/1041531688.db2.gz QPOUGEYINUAFIZ-FQEVSTJZSA-N 1 0 372.469 2.801 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC001262261542 1041621349 /nfs/dbraw/zinc/62/13/49/1041621349.db2.gz QDNQZHGLHCBCOU-UHFFFAOYSA-N 1 0 371.441 2.970 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(c3ncc([N+](=O)[O-])cc3Br)C[C@@H]2C1 ZINC001262377332 1041665928 /nfs/dbraw/zinc/66/59/28/1041665928.db2.gz STYZDNBDFZYYOG-GRYCIOLGSA-N 1 0 369.263 2.919 20 5 FFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC1CCN(c2cc[nH+]cc2)CC1 ZINC001262831432 1041884429 /nfs/dbraw/zinc/88/44/29/1041884429.db2.gz IJXUCDRGGYTLDM-UHFFFAOYSA-N 1 0 374.828 2.971 20 5 FFBDRO C[NH+]1CCN(c2ccc(Nc3cc(F)cc([N+](=O)[O-])c3)cc2CO)CC1 ZINC001216483774 1042038950 /nfs/dbraw/zinc/03/89/50/1042038950.db2.gz LZCKYCFPUMKUMU-UHFFFAOYSA-N 1 0 360.389 2.722 20 5 FFBDRO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC001263129616 1042122161 /nfs/dbraw/zinc/12/21/61/1042122161.db2.gz RRYKJXPFKLMDNO-GOSISDBHSA-N 1 0 363.433 2.903 20 5 FFBDRO C[C@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CC[C@H]1C[NH3+] ZINC001263213628 1042175844 /nfs/dbraw/zinc/17/58/44/1042175844.db2.gz APZQSVXUKBWVIB-IUCAKERBSA-N 1 0 374.210 2.553 20 5 FFBDRO Cc1ccc2ccccc2c1C[N@H+](C)CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001265845036 1042881965 /nfs/dbraw/zinc/88/19/65/1042881965.db2.gz BMDYGIAFRGWUDI-IEBWSBKVSA-N 1 0 355.438 2.752 20 5 FFBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001310517765 1043700586 /nfs/dbraw/zinc/70/05/86/1043700586.db2.gz CHWNXWZCMCECTC-KBPBESRZSA-N 1 0 363.462 2.600 20 5 FFBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)NCCCC3CC3)c2)CC1 ZINC001311246405 1043854338 /nfs/dbraw/zinc/85/43/38/1043854338.db2.gz YZNOOAOTEJUXDR-UHFFFAOYSA-N 1 0 361.446 2.658 20 5 FFBDRO CC1CC[NH+](CCCNC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)CC1 ZINC001539076781 1070553408 /nfs/dbraw/zinc/55/34/08/1070553408.db2.gz XYEQWRPHALQQFU-UHFFFAOYSA-N 1 0 354.838 2.682 20 5 FFBDRO C[C@@H](CNC(=O)N1CC[NH+](C2CCCC2)CC1)c1ccccc1[N+](=O)[O-] ZINC001313350855 1044324792 /nfs/dbraw/zinc/32/47/92/1044324792.db2.gz HKMVTTRKKYQEQQ-HNNXBMFYSA-N 1 0 360.458 2.968 20 5 FFBDRO C[C@H]1CCC[N@@H+]1CCNC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001313368335 1044332212 /nfs/dbraw/zinc/33/22/12/1044332212.db2.gz DUWSDVNIYIFZJB-RDJZCZTQSA-N 1 0 360.458 2.968 20 5 FFBDRO C[C@@H]1CCC[N@@H+]1CCNC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001313368336 1044332395 /nfs/dbraw/zinc/33/23/95/1044332395.db2.gz DUWSDVNIYIFZJB-WBVHZDCISA-N 1 0 360.458 2.968 20 5 FFBDRO CCC[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cc2ccccc2s1 ZINC001317540909 1045107008 /nfs/dbraw/zinc/10/70/08/1045107008.db2.gz RAWGDGXQZUFMNW-HZPDHXFCSA-N 1 0 361.467 2.895 20 5 FFBDRO C[N@@H+](Cc1cc2ccccc2[nH]1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC001319493865 1045172529 /nfs/dbraw/zinc/17/25/29/1045172529.db2.gz ZIUHGAHNEQIEGY-QGZVFWFLSA-N 1 0 355.394 2.948 20 5 FFBDRO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001318425546 1045297567 /nfs/dbraw/zinc/29/75/67/1045297567.db2.gz GWQJKFCHUDLEPA-IRXDYDNUSA-N 1 0 374.485 2.800 20 5 FFBDRO CC[NH+](CC)C1CCN(C(=O)NCc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC001320087340 1045346597 /nfs/dbraw/zinc/34/65/97/1045346597.db2.gz WCLMTEXQPGRPIM-UHFFFAOYSA-N 1 0 364.446 2.619 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC001320629174 1045439607 /nfs/dbraw/zinc/43/96/07/1045439607.db2.gz TUMXHLMHQSXGKC-UHFFFAOYSA-N 1 0 361.423 2.991 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CC[NH+](C(C)(C)C)CC2)cc1SC ZINC001322451613 1046089359 /nfs/dbraw/zinc/08/93/59/1046089359.db2.gz GDBDNCGAKNGEHJ-UHFFFAOYSA-N 1 0 367.471 2.882 20 5 FFBDRO O=C(Nc1cccc(C[NH+]2CCCC2)c1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001324677092 1046161726 /nfs/dbraw/zinc/16/17/26/1046161726.db2.gz RHBKOEVJSIMXEQ-GOSISDBHSA-N 1 0 355.394 2.863 20 5 FFBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CCCC2(CC[NH2+]CC2)C1 ZINC001326305748 1046862692 /nfs/dbraw/zinc/86/26/92/1046862692.db2.gz LUWHTXRNSSIYPB-UHFFFAOYSA-N 1 0 369.824 2.922 20 5 FFBDRO CC(C)[NH+](CCNC(=O)c1cc([N+](=O)[O-])ccc1SCCO)C(C)C ZINC001540526315 1070918623 /nfs/dbraw/zinc/91/86/23/1070918623.db2.gz YPCWAMLGJLMHFN-UHFFFAOYSA-N 1 0 369.487 2.528 20 5 FFBDRO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC001331382374 1047904476 /nfs/dbraw/zinc/90/44/76/1047904476.db2.gz QFDRSMJIMVFEDV-KGLIPLIRSA-N 1 0 372.347 2.650 20 5 FFBDRO CC(C)n1ncc2c1[C@@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)CCC2 ZINC001327990805 1048124260 /nfs/dbraw/zinc/12/42/60/1048124260.db2.gz AQVPZVQOVSJZPW-WMZOPIPTSA-N 1 0 374.441 2.779 20 5 FFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC001328398765 1048286809 /nfs/dbraw/zinc/28/68/09/1048286809.db2.gz MYJFJKPWYKOHAL-ZDUSSCGKSA-N 1 0 372.391 2.735 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[NH2+]CCC12CCC2 ZINC001333235086 1048773414 /nfs/dbraw/zinc/77/34/14/1048773414.db2.gz GVOLJHCPBBWIRH-GFCCVEGCSA-N 1 0 367.833 2.760 20 5 FFBDRO CCc1ccc(C[NH2+]CC2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCCCC2)cc1 ZINC001329819496 1048925737 /nfs/dbraw/zinc/92/57/37/1048925737.db2.gz YOJSRRYCDKYXES-QZTJIDSGSA-N 1 0 359.470 2.823 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(c3ccc(C(=O)NC4CC4)cc3[N+](=O)[O-])C[C@H]2C1 ZINC001333824316 1049132579 /nfs/dbraw/zinc/13/25/79/1049132579.db2.gz BXDLGVPDNCOHQQ-BFYDXBDKSA-N 1 0 372.469 2.654 20 5 FFBDRO O=C(c1csc(C2CC[NH2+]CC2)n1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001330588664 1049217961 /nfs/dbraw/zinc/21/79/61/1049217961.db2.gz NCKHEMBXOSXOPI-UHFFFAOYSA-N 1 0 358.423 2.674 20 5 FFBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC001330591496 1049220565 /nfs/dbraw/zinc/22/05/65/1049220565.db2.gz IWQKRSXWXSJLFG-QGZVFWFLSA-N 1 0 356.382 2.550 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)C(F)(F)c3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC001334446102 1049426405 /nfs/dbraw/zinc/42/64/05/1049426405.db2.gz WPMRWDJRVOGJNT-HEHGZKQESA-N 1 0 367.396 2.875 20 5 FFBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001294072200 1049680192 /nfs/dbraw/zinc/68/01/92/1049680192.db2.gz NPDFBERVQVFYGO-CQSZACIVSA-N 1 0 353.850 2.981 20 5 FFBDRO O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC001341985443 1050581269 /nfs/dbraw/zinc/58/12/69/1050581269.db2.gz YCYCQEQTHWODGV-FQEVSTJZSA-N 1 0 372.469 2.943 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)NCC[C@@H]2CCC[NH2+]CC2)cc1SC ZINC001342138983 1050732826 /nfs/dbraw/zinc/73/28/26/1050732826.db2.gz IRSAWEHPRJVODI-GFCCVEGCSA-N 1 0 367.471 2.835 20 5 FFBDRO CC[N@@H+]1CC[C@@H](CNC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])C1 ZINC001542185922 1071184361 /nfs/dbraw/zinc/18/43/61/1071184361.db2.gz GYZPPVRCXBLOHJ-AWEZNQCLSA-N 1 0 354.410 2.728 20 5 FFBDRO O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCC2(C[NH2+]C2)CC1 ZINC001340693168 1051060653 /nfs/dbraw/zinc/06/06/53/1051060653.db2.gz WOFAFTVRGWUSPO-UHFFFAOYSA-N 1 0 358.423 2.544 20 5 FFBDRO CCn1c(-c2ccc([N+](=O)[O-])o2)nnc1N1CCC(C)([NH+]2CCCC2)CC1 ZINC001342660474 1051269566 /nfs/dbraw/zinc/26/95/66/1051269566.db2.gz PKHFWNZKZLOFOX-UHFFFAOYSA-N 1 0 374.445 2.921 20 5 FFBDRO C[C@H](CNC(=O)c1ccc2c(c1)OCC[NH2+]C2)c1ccccc1[N+](=O)[O-] ZINC001342945527 1051559877 /nfs/dbraw/zinc/55/98/77/1051559877.db2.gz VHRQGUKYRNUOAD-CYBMUJFWSA-N 1 0 355.394 2.610 20 5 FFBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CC[C@H](CC[NH3+])C2)CC1 ZINC001344998960 1052189166 /nfs/dbraw/zinc/18/91/66/1052189166.db2.gz KWHLHDBRCLFSOK-HNNXBMFYSA-N 1 0 360.458 2.642 20 5 FFBDRO O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)c[nH]1)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC001306865127 1052205808 /nfs/dbraw/zinc/20/58/08/1052205808.db2.gz FODAXBUTTWUJRW-INIZCTEOSA-N 1 0 355.398 2.940 20 5 FFBDRO CC[C@@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)c1cccc(S(N)(=O)=O)c1 ZINC001307633115 1052328338 /nfs/dbraw/zinc/32/83/38/1052328338.db2.gz PJIWWQAJZFOMNB-MRXNPFEDSA-N 1 0 363.439 2.792 20 5 FFBDRO CS[C@H]1CN(Cc2c(Br)cccc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC001307653846 1052330703 /nfs/dbraw/zinc/33/07/03/1052330703.db2.gz AZNZSTRQGIMQCZ-KGLIPLIRSA-N 1 0 374.304 2.835 20 5 FFBDRO C[C@H]1CCCC[C@@]1(C)[NH2+]CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001307825499 1052354799 /nfs/dbraw/zinc/35/47/99/1052354799.db2.gz KZKCIHNWERIFFU-OXJNMPFZSA-N 1 0 374.485 2.802 20 5 FFBDRO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC001307986408 1052376346 /nfs/dbraw/zinc/37/63/46/1052376346.db2.gz GGPADQXMNNINOX-ZIAGYGMSSA-N 1 0 365.430 2.961 20 5 FFBDRO O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCCC[C@@]12CCC[NH2+]C2 ZINC001343775864 1052413426 /nfs/dbraw/zinc/41/34/26/1052413426.db2.gz JRFSQDZBWIPXHI-IBGZPJMESA-N 1 0 369.425 2.529 20 5 FFBDRO C[C@@H](CCc1ccccc1)C[NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001308512115 1052463112 /nfs/dbraw/zinc/46/31/12/1052463112.db2.gz GMKDFCKJIFZULN-CWFSZBLJSA-N 1 0 358.438 2.848 20 5 FFBDRO [NH3+]CCN(Cc1cccc2c1OC(F)(F)O2)c1ccccc1[N+](=O)[O-] ZINC001308747817 1052494952 /nfs/dbraw/zinc/49/49/52/1052494952.db2.gz VGPIIKLSZARACH-UHFFFAOYSA-N 1 0 351.309 2.882 20 5 FFBDRO COc1ccccc1C[C@](C)(CO)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC001308886782 1052512296 /nfs/dbraw/zinc/51/22/96/1052512296.db2.gz QZXDICYIVSUPNR-LJQANCHMSA-N 1 0 371.393 2.828 20 5 FFBDRO Cc1cc(C)c(S(=O)(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC001309103474 1052556090 /nfs/dbraw/zinc/55/60/90/1052556090.db2.gz VCBXDYGWUFRENQ-OAHLLOKOSA-N 1 0 369.487 2.610 20 5 FFBDRO Nc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001542868406 1071324943 /nfs/dbraw/zinc/32/49/43/1071324943.db2.gz WOCLXVJQWAOTSO-HNNXBMFYSA-N 1 0 360.458 2.905 20 5 FFBDRO CCCN(CC[NH+](CC)CC)S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC001309386407 1052610031 /nfs/dbraw/zinc/61/00/31/1052610031.db2.gz KKTGBVPVODWDIJ-UHFFFAOYSA-N 1 0 371.503 2.954 20 5 FFBDRO Cc1ccc(NCCCNC(=O)c2ccc3c(c2)C[NH2+]CC3)c([N+](=O)[O-])c1 ZINC001345780660 1052610465 /nfs/dbraw/zinc/61/04/65/1052610465.db2.gz GOGJRMDJSRHPFI-UHFFFAOYSA-N 1 0 368.437 2.781 20 5 FFBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)OC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC001344369180 1052737903 /nfs/dbraw/zinc/73/79/03/1052737903.db2.gz UHBASTMHXQFWIU-CQSZACIVSA-N 1 0 366.439 2.727 20 5 FFBDRO O=[N+]([O-])c1ccc(C(F)(F)F)cc1N1CC[NH+](C2CCOCC2)CC1 ZINC001335266318 1053274616 /nfs/dbraw/zinc/27/46/16/1053274616.db2.gz XESZFNSNIQWISO-UHFFFAOYSA-N 1 0 359.348 2.915 20 5 FFBDRO C[NH+](C)CC[C@H](NC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)c1cccnc1 ZINC001335266879 1053274986 /nfs/dbraw/zinc/27/49/86/1053274986.db2.gz HMFWJIZRNJYQIH-SFHVURJKSA-N 1 0 369.425 2.708 20 5 FFBDRO C[C@@H](CNC(=O)N1CCCC[C@]2(CC[NH2+]C2)C1)c1ccccc1[N+](=O)[O-] ZINC001336255106 1053872237 /nfs/dbraw/zinc/87/22/37/1053872237.db2.gz JATGBRHYTZUZDX-HNAYVOBHSA-N 1 0 360.458 2.874 20 5 FFBDRO COc1ccc(C(=O)N2C[C@]34C[N@H+](C)C[C@@]3(C2)CCCC4)cc1[N+](=O)[O-] ZINC001336823425 1054259383 /nfs/dbraw/zinc/25/93/83/1054259383.db2.gz OFUNRICIHXUISX-KDURUIRLSA-N 1 0 359.426 2.551 20 5 FFBDRO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)N(Cc3ccccc3[N+](=O)[O-])C3CC3)[C@@H]2C1 ZINC001348312206 1054624615 /nfs/dbraw/zinc/62/46/15/1054624615.db2.gz VBRUWTNTGMZREC-IAOVAPTHSA-N 1 0 358.442 2.609 20 5 FFBDRO O=C(O[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 ZINC001348361234 1054653175 /nfs/dbraw/zinc/65/31/75/1054653175.db2.gz CDDMLAZHDRTAMF-SJLPKXTDSA-N 1 0 370.409 2.623 20 5 FFBDRO Cn1ccnc1C[C@@H]1CCCN(c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)C1 ZINC001351779765 1054996129 /nfs/dbraw/zinc/99/61/29/1054996129.db2.gz CFDFWHQRZXFSNA-JTQLQIEISA-N 1 0 372.351 2.540 20 5 FFBDRO O=C(Nc1ccc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1)C1CC1 ZINC001348950493 1055014586 /nfs/dbraw/zinc/01/45/86/1055014586.db2.gz DKZXBYBYYMVODJ-GOSISDBHSA-N 1 0 355.394 2.767 20 5 FFBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)Cc3ccccc3)c2)CC1 ZINC001338336410 1055427682 /nfs/dbraw/zinc/42/76/82/1055427682.db2.gz WBHQONMIRAJMJX-UHFFFAOYSA-N 1 0 354.410 2.528 20 5 FFBDRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@H]12)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001349833944 1055492479 /nfs/dbraw/zinc/49/24/79/1055492479.db2.gz NYGNNSDUIWXAQT-ZWKOTPCHSA-N 1 0 358.442 2.679 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCCN(c3cc[nH+]cc3)CC2)c1C ZINC001350472441 1055791476 /nfs/dbraw/zinc/79/14/76/1055791476.db2.gz URNGUQOMTHXRPL-UHFFFAOYSA-N 1 0 354.410 2.959 20 5 FFBDRO [NH3+][C@@H]1CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC[C@H]1C(F)(F)F ZINC001358130850 1056155550 /nfs/dbraw/zinc/15/55/50/1056155550.db2.gz SERVQTFQEIRFAX-NXEZZACHSA-N 1 0 351.712 2.600 20 5 FFBDRO C[NH+](C)CCN(Cc1ccco1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001353394245 1056361770 /nfs/dbraw/zinc/36/17/70/1056361770.db2.gz DFWDDLSUSWYQJP-UHFFFAOYSA-N 1 0 350.350 2.923 20 5 FFBDRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](c2cnn(C)c2)C1 ZINC000849483056 1056870061 /nfs/dbraw/zinc/87/00/61/1056870061.db2.gz VJAQJTAPKCBPTD-QZTJIDSGSA-N 1 0 371.441 2.781 20 5 FFBDRO CC[N@@H+]1C[C@@H](NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C(C)(C)C1 ZINC001472057529 1058325079 /nfs/dbraw/zinc/32/50/79/1058325079.db2.gz RCIDWQDWOHUUAX-OAHLLOKOSA-N 1 0 369.849 2.864 20 5 FFBDRO O=C(Nc1cccc2c1C[N@@H+](C1CC1)C2)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001447229769 1058610853 /nfs/dbraw/zinc/61/08/53/1058610853.db2.gz MYQXPCRQZZHVCF-SFHVURJKSA-N 1 0 353.378 2.745 20 5 FFBDRO Cc1cc(C)c(C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c(C)c1 ZINC001505811635 1059404051 /nfs/dbraw/zinc/40/40/51/1059404051.db2.gz OEOUCGBAMJDKQL-SJLPKXTDSA-N 1 0 361.486 2.851 20 5 FFBDRO C[NH+](C)[C@H]1C[C@H](NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC001454173652 1059454154 /nfs/dbraw/zinc/45/41/54/1059454154.db2.gz NBJGKZDMQPZEAE-KBPBESRZSA-N 1 0 353.369 2.676 20 5 FFBDRO CC(C)[NH+]1CCC(CCNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 ZINC001454309273 1059494909 /nfs/dbraw/zinc/49/49/09/1059494909.db2.gz XCHBCLQVRIGXQO-UHFFFAOYSA-N 1 0 352.410 2.556 20 5 FFBDRO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001454577840 1059572526 /nfs/dbraw/zinc/57/25/26/1059572526.db2.gz NEATUMJGVYZONM-OAHLLOKOSA-N 1 0 359.813 2.905 20 5 FFBDRO CC1CC[NH+](CC[C@H]2CCCN2C(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC001454755082 1059623200 /nfs/dbraw/zinc/62/32/00/1059623200.db2.gz YMSYSAHCPLYUTL-OAHLLOKOSA-N 1 0 360.458 2.904 20 5 FFBDRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000848350288 1059834414 /nfs/dbraw/zinc/83/44/14/1059834414.db2.gz PKPHJIKXXXAMEX-MJGOQNOKSA-N 1 0 372.469 2.942 20 5 FFBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)CCc1nccc(C(F)(F)F)n1 ZINC001355085471 1059873116 /nfs/dbraw/zinc/87/31/16/1059873116.db2.gz REQUFPJTHZCMPU-UHFFFAOYSA-N 1 0 370.331 2.957 20 5 FFBDRO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001355198372 1059982043 /nfs/dbraw/zinc/98/20/43/1059982043.db2.gz FQIBZAZHVBLZME-OAHLLOKOSA-N 1 0 368.231 2.716 20 5 FFBDRO CCn1c(-c2csc([N+](=O)[O-])c2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001520762555 1060048171 /nfs/dbraw/zinc/04/81/71/1060048171.db2.gz LTBWWBJXZLTTOT-UHFFFAOYSA-N 1 0 364.475 2.855 20 5 FFBDRO COC(=O)C[C@H]1CCCCN1Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000848475181 1060091048 /nfs/dbraw/zinc/09/10/48/1060091048.db2.gz KQCOTSHZKDMANR-OAHLLOKOSA-N 1 0 358.398 2.833 20 5 FFBDRO CCn1c(-c2ccc([N+](=O)[O-])o2)nnc1N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@H]2C1 ZINC001520821200 1060115538 /nfs/dbraw/zinc/11/55/38/1060115538.db2.gz YLSMRPWXBGVSHJ-IHRRRGAJSA-N 1 0 374.445 2.633 20 5 FFBDRO CCC(C)(C)[NH+]1CCN(CN2CC[C@@H](c3ccc([N+](=O)[O-])cc3)C2=O)CC1 ZINC000848498474 1060175214 /nfs/dbraw/zinc/17/52/14/1060175214.db2.gz UADUFADWZBSRPO-SFHVURJKSA-N 1 0 374.485 2.674 20 5 FFBDRO COC(=O)C1(C2(O)CC[NH+](Cc3ccc(C)c([N+](=O)[O-])c3)CC2)CCC1 ZINC001355374977 1060183525 /nfs/dbraw/zinc/18/35/25/1060183525.db2.gz WLSQWMSTYPSWSL-UHFFFAOYSA-N 1 0 362.426 2.573 20 5 FFBDRO CCC[N@@H+]1CC[C@H](CNc2c3cc([N+](=O)[O-])ccc3ncc2[N+](=O)[O-])C1 ZINC001458135728 1060521585 /nfs/dbraw/zinc/52/15/85/1060521585.db2.gz XUCVCJLSLSYXSU-GFCCVEGCSA-N 1 0 359.386 2.617 20 5 FFBDRO CC[N@@H+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2[C@@H]2C[C@H]2C)C[C@@H]1C ZINC001547710941 1071990570 /nfs/dbraw/zinc/99/05/70/1071990570.db2.gz QINNQVQIPAHICD-JKIFEVAISA-N 1 0 370.457 2.965 20 5 FFBDRO COC(=O)/C=C\c1ccc(NCc2nc3c([nH]2)CCCC3)c([N+](=O)[O-])c1 ZINC001458634786 1060639005 /nfs/dbraw/zinc/63/90/05/1060639005.db2.gz AUJCTHAOZDFNQG-CLFYSBASSA-N 1 0 356.382 2.995 20 5 FFBDRO O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000848783796 1060687625 /nfs/dbraw/zinc/68/76/25/1060687625.db2.gz CYSGIBPJPMTPNY-ZWKOTPCHSA-N 1 0 358.442 2.916 20 5 FFBDRO CC[C@@H](C)[C@@H]([NH2+]CC[N+](=O)[O-])C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001459852843 1060832232 /nfs/dbraw/zinc/83/22/32/1060832232.db2.gz ZQYGEZQLVXWSCX-VQIMIIECSA-N 1 0 361.486 2.749 20 5 FFBDRO CCOc1cc(C(=O)NCc2ccc3c[nH+]cn3c2)c([N+](=O)[O-])cc1OC ZINC001460744125 1061084659 /nfs/dbraw/zinc/08/46/59/1061084659.db2.gz GYZCXSXHYVXDHB-UHFFFAOYSA-N 1 0 370.365 2.580 20 5 FFBDRO C[C@@H]([NH2+]CC(=O)NCCO[C@@H]1CCCC[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC001460769143 1061094112 /nfs/dbraw/zinc/09/41/12/1061094112.db2.gz VFXCIYOWZPSZMO-IIDMSEBBSA-N 1 0 363.458 2.957 20 5 FFBDRO O=C1[C@H]([N@@H+]2CCCC[C@H]([C@H]3CCOC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC001460925364 1061152348 /nfs/dbraw/zinc/15/23/48/1061152348.db2.gz SUKCCOSTYJWICJ-TXPKVOOTSA-N 1 0 373.453 2.839 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+]C[C@H]2OCc3ccccc32)cc1[N+](=O)[O-] ZINC001461818894 1061414496 /nfs/dbraw/zinc/41/44/96/1061414496.db2.gz FIEDLCWKHWVOBT-GOSISDBHSA-N 1 0 372.377 2.508 20 5 FFBDRO COC(=O)[C@@H](C[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)CC(C)C ZINC001462298872 1061573746 /nfs/dbraw/zinc/57/37/46/1061573746.db2.gz TYJANVXZSHMOOV-UONOGXRCSA-N 1 0 365.430 2.737 20 5 FFBDRO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CCc3ccc([N+](=O)[O-])cc3Cl)[C@H]2C1 ZINC001522551314 1062208730 /nfs/dbraw/zinc/20/87/30/1062208730.db2.gz PHWQDWQERHOZRK-NOLJZWGESA-N 1 0 351.834 2.637 20 5 FFBDRO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001435044000 1062381370 /nfs/dbraw/zinc/38/13/70/1062381370.db2.gz JPDGVUPMLGYANQ-HOTGVXAUSA-N 1 0 356.426 2.933 20 5 FFBDRO C[NH2+]CCOc1ccccc1C(=O)NC[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001523388808 1062452069 /nfs/dbraw/zinc/45/20/69/1062452069.db2.gz LHHOTLJPMQCTEE-AWEZNQCLSA-N 1 0 357.410 2.727 20 5 FFBDRO C[NH2+]CCOc1ccccc1C(=O)NC[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001523388810 1062452291 /nfs/dbraw/zinc/45/22/91/1062452291.db2.gz LHHOTLJPMQCTEE-CQSZACIVSA-N 1 0 357.410 2.727 20 5 FFBDRO C[NH+]1CCC(N(Cc2ccco2)C(=O)c2ccc([N+](=O)[O-])cc2N)CC1 ZINC001464868373 1062883344 /nfs/dbraw/zinc/88/33/44/1062883344.db2.gz LSZRRCFYWBWSSB-UHFFFAOYSA-N 1 0 358.398 2.507 20 5 FFBDRO CCCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC001479993919 1063023391 /nfs/dbraw/zinc/02/33/91/1063023391.db2.gz WEZFOWIIRBMOIN-RTBURBONSA-N 1 0 359.470 2.863 20 5 FFBDRO C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2N)CC[N@@H+]1Cc1ccccc1 ZINC001465619772 1063156499 /nfs/dbraw/zinc/15/64/99/1063156499.db2.gz AAQULNOJVCOACW-GOEBONIOSA-N 1 0 368.437 2.960 20 5 FFBDRO C[N@@H+]1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC001439893213 1063229961 /nfs/dbraw/zinc/22/99/61/1063229961.db2.gz XFVRJEQDXLFUNF-INIZCTEOSA-N 1 0 360.458 2.799 20 5 FFBDRO CCc1ccc(C(=O)N2CCN(c3cc[nH+]cc3)[C@H](C)C2)cc1[N+](=O)[O-] ZINC001533737997 1063387179 /nfs/dbraw/zinc/38/71/79/1063387179.db2.gz DOVYPCWGYGGNBH-CQSZACIVSA-N 1 0 354.410 2.903 20 5 FFBDRO O=C(NCCC1CC[NH+](Cc2ccccc2C2CC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001495518113 1063502655 /nfs/dbraw/zinc/50/26/55/1063502655.db2.gz WTGXQMCARRJVEK-WOJBJXKFSA-N 1 0 371.481 2.948 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCc2ccc3c[nH+]cn3c2)c1 ZINC001468835520 1064047106 /nfs/dbraw/zinc/04/71/06/1064047106.db2.gz PQTSQVGSVJAXTG-UHFFFAOYSA-N 1 0 354.366 2.636 20 5 FFBDRO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001470781685 1064449524 /nfs/dbraw/zinc/44/95/24/1064449524.db2.gz XYPKRKSYSRHBEO-LIRRHRJNSA-N 1 0 368.437 2.817 20 5 FFBDRO CNc1ccc(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C(C)C)cc1[N+](=O)[O-] ZINC001472329128 1065018710 /nfs/dbraw/zinc/01/87/10/1065018710.db2.gz UGSRWNZUQPOXTF-NVXWUHKLSA-N 1 0 360.458 2.971 20 5 FFBDRO CC[C@H](CNc1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-])[NH+]1CCCC1 ZINC001472655604 1065121854 /nfs/dbraw/zinc/12/18/54/1065121854.db2.gz TZDSFVWXYTYYIA-GFCCVEGCSA-N 1 0 359.386 2.759 20 5 FFBDRO CC(C)Oc1cc(C(=O)N2C[C@H]([NH3+])Cc3ccccc32)ccc1[N+](=O)[O-] ZINC001575799737 1078169040 /nfs/dbraw/zinc/16/90/40/1078169040.db2.gz YEKAFPVIYGYDIT-OAHLLOKOSA-N 1 0 355.394 2.912 20 5 FFBDRO C[C@H](CNC(=O)c1ncoc1C1CC[NH2+]CC1)c1ccccc1[N+](=O)[O-] ZINC001576033302 1078188643 /nfs/dbraw/zinc/18/86/43/1078188643.db2.gz QOGRJCHMHJSCGD-GFCCVEGCSA-N 1 0 358.398 2.583 20 5 FFBDRO C[C@@H]1CC2(CN1C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1)CC[NH2+]CC2 ZINC001576639274 1078254395 /nfs/dbraw/zinc/25/43/95/1078254395.db2.gz ZNVCDTVKXJBUCG-SNVBAGLBSA-N 1 0 355.797 2.992 20 5 FFBDRO CCC1(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC[C@@H]([NH3+])C2)CCC1 ZINC001577221109 1078318512 /nfs/dbraw/zinc/31/85/12/1078318512.db2.gz VVMZZGZNUKLYCC-OAHLLOKOSA-N 1 0 370.457 2.971 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](CC[NH3+])Cc3ccccc32)c1 ZINC001579242691 1078598872 /nfs/dbraw/zinc/59/88/72/1078598872.db2.gz XTNGMTGJGQZKDK-ZDUSSCGKSA-N 1 0 355.394 2.771 20 5 FFBDRO Cc1c(Br)cc(C(=O)N2CC[C@@H]([NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC001579516136 1078638331 /nfs/dbraw/zinc/63/83/31/1078638331.db2.gz GLLGAFLUYBDATF-LDYMZIIASA-N 1 0 356.220 2.618 20 5 FFBDRO Cn1cc(C(=O)Nc2cccc(C[NH3+])c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001579954727 1078724106 /nfs/dbraw/zinc/72/41/06/1078724106.db2.gz IALONZSFGQCEQQ-UHFFFAOYSA-N 1 0 351.366 2.706 20 5 FFBDRO [NH3+][C@@H]1C[C@H](NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])C12CCC2 ZINC001580163197 1078758620 /nfs/dbraw/zinc/75/86/20/1078758620.db2.gz KQPLTNZPDPRKMD-CABCVRRESA-N 1 0 352.394 2.657 20 5 FFBDRO [NH3+][C@@H]1CCc2ccccc2N(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC001580204085 1078764989 /nfs/dbraw/zinc/76/49/89/1078764989.db2.gz NGMFDIDLWPXGGH-CQSZACIVSA-N 1 0 350.378 2.996 20 5 FFBDRO [NH3+][C@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC[C@@H]1C(F)(F)F ZINC001580206497 1078765114 /nfs/dbraw/zinc/76/51/14/1078765114.db2.gz CHYHORZYTIKWSJ-QWRGUYRKSA-N 1 0 357.288 2.693 20 5 FFBDRO [NH3+]C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)C1 ZINC001580265110 1078778488 /nfs/dbraw/zinc/77/84/88/1078778488.db2.gz DCSNIKZXTMJXIX-HNNXBMFYSA-N 1 0 354.410 2.628 20 5 FFBDRO [NH3+][C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001580366036 1078792338 /nfs/dbraw/zinc/79/23/38/1078792338.db2.gz BBVFKMJJUXAVFC-MJGOQNOKSA-N 1 0 353.422 2.871 20 5 FFBDRO O=[N+]([O-])c1cccc(CN2CCC[C@@H]3C[NH2+]CC[C@H]32)c1Br ZINC001580875570 1078882097 /nfs/dbraw/zinc/88/20/97/1078882097.db2.gz NIDITGFIDFMTMF-DGCLKSJQSA-N 1 0 354.248 2.931 20 5 FFBDRO C[C@H]1CN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CCN1c1cc[nH+]cc1 ZINC001583521092 1079227249 /nfs/dbraw/zinc/22/72/49/1079227249.db2.gz PGJQFDHIYREQNM-SZTZYQKNSA-N 1 0 352.394 2.740 20 5 FFBDRO Nc1c(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc2ccccc2c1[N+](=O)[O-] ZINC001585629528 1079482169 /nfs/dbraw/zinc/48/21/69/1079482169.db2.gz XCSLMYUZUBDOIK-KBPBESRZSA-N 1 0 354.410 2.687 20 5 FFBDRO CC[N@@H+]1C[C@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])C(C)(C)C1 ZINC001558528256 1076025347 /nfs/dbraw/zinc/02/53/47/1076025347.db2.gz UVPSSIYXAFJTLA-ZDUSSCGKSA-N 1 0 370.247 2.817 20 5 FFBDRO CC[NH+](CC)CCN(CCC(F)(F)F)Cc1onc(C)c1[N+](=O)[O-] ZINC001559578445 1076174044 /nfs/dbraw/zinc/17/40/44/1076174044.db2.gz LWTKMMCIIZYLDO-UHFFFAOYSA-N 1 0 352.357 2.987 20 5 FFBDRO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC001560053935 1076218604 /nfs/dbraw/zinc/21/86/04/1076218604.db2.gz NKHFRLCPHCXSGK-UONOGXRCSA-N 1 0 365.430 2.961 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[NH+](CCCOC(C)(C)C)CC1 ZINC001560104255 1076228171 /nfs/dbraw/zinc/22/81/71/1076228171.db2.gz OUYGUCHPQKIPML-UHFFFAOYSA-N 1 0 365.474 2.926 20 5 FFBDRO CCCC[N@@H+](Cc1c(C)oc(C)c1C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001560164175 1076239482 /nfs/dbraw/zinc/23/94/82/1076239482.db2.gz NYJQEPXKMJXDKD-KRWDZBQOSA-N 1 0 364.446 2.973 20 5 FFBDRO NC(=O)C[C@@H]([NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C1CCOCC1 ZINC001560425027 1076272380 /nfs/dbraw/zinc/27/23/80/1076272380.db2.gz PDVVKALGCZBXEN-QGZVFWFLSA-N 1 0 373.409 2.615 20 5 FFBDRO COC(=O)[C@]1(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCOC1 ZINC001560624722 1076285692 /nfs/dbraw/zinc/28/56/92/1076285692.db2.gz XSZVPLXRUCWPSI-SFHVURJKSA-N 1 0 360.366 2.524 20 5 FFBDRO CCC(CC)[C@H](CNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C)[NH+](C)C ZINC001561474775 1076382009 /nfs/dbraw/zinc/38/20/09/1076382009.db2.gz PUOJBGUMEHUAKN-HNNXBMFYSA-N 1 0 371.503 2.856 20 5 FFBDRO CCCC[N@H+](C)C[C@@H](C)NS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC001561617614 1076399026 /nfs/dbraw/zinc/39/90/26/1076399026.db2.gz PUHFHMNDVWNMBO-CQSZACIVSA-N 1 0 357.476 2.610 20 5 FFBDRO CC[NH+](CC)CC[C@H](C)NS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC001562033973 1076471385 /nfs/dbraw/zinc/47/13/85/1076471385.db2.gz GJZNXKDKAVUUGV-AWEZNQCLSA-N 1 0 357.476 2.610 20 5 FFBDRO CCC1([NH2+]Cc2ccc(CF)cc2)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001570255334 1077193335 /nfs/dbraw/zinc/19/33/35/1077193335.db2.gz ZVBMBVAFRZDLJM-IAGOWNOFSA-N 1 0 363.433 2.682 20 5 FFBDRO CC[N@H+](CC=C(Cl)Cl)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001570501307 1077210949 /nfs/dbraw/zinc/21/09/49/1077210949.db2.gz IZVJWQIJEKXRKG-CHWSQXEVSA-N 1 0 364.273 2.531 20 5 FFBDRO CCC[N@@H+]1CCC[C@@H](C(=O)NCCCNc2ccc(C)cc2[N+](=O)[O-])C1 ZINC001586524875 1079645366 /nfs/dbraw/zinc/64/53/66/1079645366.db2.gz LXFKZLXEWVPULY-MRXNPFEDSA-N 1 0 362.474 2.943 20 5 FFBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1ccc([N+](=O)[O-])c(-c2nn[nH]n2)c1 ZINC001590187258 1081077739 /nfs/dbraw/zinc/07/77/39/1081077739.db2.gz IHVISSFLQRRTMA-FRRDWIJNSA-N 1 0 359.434 2.553 20 5 FFBDRO COc1c(O)ccc(C[NH2+][C@H](CO)Cc2ccc(C)c(C)c2)c1[N+](=O)[O-] ZINC001621376666 1126246180 /nfs/dbraw/zinc/24/61/80/1126246180.db2.gz KJMPSMFJFSSYOV-INIZCTEOSA-N 1 0 360.410 2.619 20 5 FFBDRO CCC[C@H]([NH2+][C@H]1CCN(c2cnn(C)c2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000090016975 249888917 /nfs/dbraw/zinc/88/89/17/249888917.db2.gz LERCZCKFPLJQKP-IRXDYDNUSA-N 1 0 357.414 2.565 20 5 FFBDRO Cn1ccnc1[C@H](O)[C@@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000132008393 251037255 /nfs/dbraw/zinc/03/72/55/251037255.db2.gz MYQHJKAQTKZQEM-MLGOLLRUSA-N 1 0 364.833 2.927 20 5 FFBDRO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CC[NH+](C2CCOCC2)CC1 ZINC000175570972 251230830 /nfs/dbraw/zinc/23/08/30/251230830.db2.gz JCZATBWPARVTPJ-UHFFFAOYSA-N 1 0 368.821 2.577 20 5 FFBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccc(Br)cc1 ZINC000181109475 251242189 /nfs/dbraw/zinc/24/21/89/251242189.db2.gz ZOGDSNHYGXESKG-LLVKDONJSA-N 1 0 366.215 2.870 20 5 FFBDRO O=C(NC1CC[NH+](Cc2cccnc2)CC1)c1cc(F)ccc1[N+](=O)[O-] ZINC000192578527 251291293 /nfs/dbraw/zinc/29/12/93/251291293.db2.gz YZGAIGXGOCEPAL-UHFFFAOYSA-N 1 0 358.373 2.523 20 5 FFBDRO COCCN(C)[C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000267386427 251341844 /nfs/dbraw/zinc/34/18/44/251341844.db2.gz BQBZLZIKTWVZTH-NSHDSACASA-N 1 0 364.427 2.624 20 5 FFBDRO COc1ccc(C[NH2+][C@@H](C)Cn2cc(Br)cn2)cc1[N+](=O)[O-] ZINC000268803399 251388661 /nfs/dbraw/zinc/38/86/61/251388661.db2.gz GRXAGIBCVTVFGS-JTQLQIEISA-N 1 0 369.219 2.741 20 5 FFBDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC000272310242 252006932 /nfs/dbraw/zinc/00/69/32/252006932.db2.gz RUVKVDBPHMMJSD-DLTWYDFYSA-N 1 0 374.485 2.886 20 5 FFBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)[C@H]2C1 ZINC000272383862 252024236 /nfs/dbraw/zinc/02/42/36/252024236.db2.gz CCDKXXOIKPULTE-LRDDRELGSA-N 1 0 372.450 2.885 20 5 FFBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)[C@H]2C1 ZINC000272415062 252032380 /nfs/dbraw/zinc/03/23/80/252032380.db2.gz GAXDPHAGXPFEKE-YGRLFVJLSA-N 1 0 357.332 2.780 20 5 FFBDRO C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C[C@@H]1OCCc2ccccc21 ZINC000273055986 252202932 /nfs/dbraw/zinc/20/29/32/252202932.db2.gz RUNRSVFKWCJLLH-JXFKEZNVSA-N 1 0 372.421 2.580 20 5 FFBDRO C[C@@H]([NH2+][C@@H]1CCCN(Cc2ccccn2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000273178067 252240820 /nfs/dbraw/zinc/24/08/20/252240820.db2.gz DLWNUCZZWYQAFG-RDTXWAMCSA-N 1 0 354.410 2.832 20 5 FFBDRO COCC[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(C)o1 ZINC000273283438 252273046 /nfs/dbraw/zinc/27/30/46/252273046.db2.gz LIKLSDBOCMJIIJ-WBVHZDCISA-N 1 0 364.398 2.603 20 5 FFBDRO Cc1c(NC(=O)CCN2C[C@H]([NH+]3CCCC3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000285706837 257000763 /nfs/dbraw/zinc/00/07/63/257000763.db2.gz WENXHQLBWCYLER-GDBMZVCRSA-N 1 0 360.458 2.790 20 5 FFBDRO CC1(C)[C@@H](C(F)(F)F)CC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000276321324 256090003 /nfs/dbraw/zinc/09/00/03/256090003.db2.gz YWDCUSAQWDWDJM-RISCZKNCSA-N 1 0 362.348 2.997 20 5 FFBDRO CCOC(CC[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)OCC ZINC000276533157 256108235 /nfs/dbraw/zinc/10/82/35/256108235.db2.gz NVYLQBZXTSTFPY-ZDUSSCGKSA-N 1 0 353.419 2.691 20 5 FFBDRO C[NH+](C)[C@H]1CCCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000277304095 256182678 /nfs/dbraw/zinc/18/26/78/256182678.db2.gz PIJJJVIJHAOFIZ-KRWDZBQOSA-N 1 0 374.485 2.754 20 5 FFBDRO C[C@@H]1C[N@H+](CCCNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CCCO1 ZINC000277741393 256233920 /nfs/dbraw/zinc/23/39/20/256233920.db2.gz YCYWFUPCNGAWDP-CYBMUJFWSA-N 1 0 361.398 2.572 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1N1CCC(OCC[NH+]3CCCC3)CC1)CCN2 ZINC000278175794 256284604 /nfs/dbraw/zinc/28/46/04/256284604.db2.gz CUKQDVXBUDBRHQ-UHFFFAOYSA-N 1 0 360.458 2.644 20 5 FFBDRO COc1cc(C[NH2+]CC2(CO)CC3(CCC3)C2)c([N+](=O)[O-])cc1OC ZINC000278578044 256327175 /nfs/dbraw/zinc/32/71/75/256327175.db2.gz FKSGQXWYKNNNLZ-UHFFFAOYSA-N 1 0 350.415 2.644 20 5 FFBDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000278690698 256338652 /nfs/dbraw/zinc/33/86/52/256338652.db2.gz HOXFEFRFSQVENI-LBPRGKRZSA-N 1 0 371.384 2.886 20 5 FFBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]C3CCN(Cc4ccccn4)CC3)nc2c1 ZINC000278698631 256339033 /nfs/dbraw/zinc/33/90/33/256339033.db2.gz NLOWFZQJGOCHRH-UHFFFAOYSA-N 1 0 366.425 2.620 20 5 FFBDRO CCS[C@@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000286009285 257015738 /nfs/dbraw/zinc/01/57/38/257015738.db2.gz GVCSRIQPRUCGOW-DZGCQCFKSA-N 1 0 353.444 2.806 20 5 FFBDRO [NH3+]CC[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000286065265 257018451 /nfs/dbraw/zinc/01/84/51/257018451.db2.gz LZTXKPASNJYRLM-JTQLQIEISA-N 1 0 356.220 2.701 20 5 FFBDRO CCOC[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C(C)C ZINC000286185614 257024639 /nfs/dbraw/zinc/02/46/39/257024639.db2.gz PLKMDKNSBGOVIF-HNNXBMFYSA-N 1 0 353.419 2.583 20 5 FFBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccnc(-c4ccccc4)c3[N+](=O)[O-])[C@@H]2C1 ZINC000286492270 257039880 /nfs/dbraw/zinc/03/98/80/257039880.db2.gz TXFMIZAAQNCUHW-RHSMWYFYSA-N 1 0 366.421 2.823 20 5 FFBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000286592606 257044686 /nfs/dbraw/zinc/04/46/86/257044686.db2.gz SBWZQHRSXTYLJZ-UHFFFAOYSA-N 1 0 360.458 2.653 20 5 FFBDRO COCC[N@H+](C)CCCC1CCN(c2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000286624825 257046330 /nfs/dbraw/zinc/04/63/30/257046330.db2.gz WCQSGDPQUYVWSI-UHFFFAOYSA-N 1 0 350.463 2.752 20 5 FFBDRO COc1cc(CN2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)c([N+](=O)[O-])cc1F ZINC000286664784 257048488 /nfs/dbraw/zinc/04/84/88/257048488.db2.gz UVMFRMCEPBWWEF-GHMZBOCLSA-N 1 0 366.311 2.735 20 5 FFBDRO Cc1nn(CCC(=O)OCc2cnccc2OC(C)C)c(C)c1[N+](=O)[O-] ZINC000286833130 257057350 /nfs/dbraw/zinc/05/73/50/257057350.db2.gz DKLHKNOPZRZRML-UHFFFAOYSA-N 1 0 362.386 2.724 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000286980776 257065390 /nfs/dbraw/zinc/06/53/90/257065390.db2.gz PWIIVFYLYAYNQZ-YJBOKZPZSA-N 1 0 360.458 2.790 20 5 FFBDRO COC(=O)c1cc(C)nc(N2CCC[C@@H]([NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC000287145226 257074327 /nfs/dbraw/zinc/07/43/27/257074327.db2.gz DYNNACJOKRLVCT-CQSZACIVSA-N 1 0 362.430 2.540 20 5 FFBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1c1ncc([N+](=O)[O-])cc1Br ZINC000286419291 257036089 /nfs/dbraw/zinc/03/60/89/257036089.db2.gz MVESQZROUUMZBE-ZWNOBZJWSA-N 1 0 355.236 2.815 20 5 FFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCC1(O)CCOCC1 ZINC000287507405 257092921 /nfs/dbraw/zinc/09/29/21/257092921.db2.gz NZSOIJIPTBNWEY-AWEZNQCLSA-N 1 0 354.472 2.987 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccncc1OCCC[NH+](C)C ZINC000288639954 257213903 /nfs/dbraw/zinc/21/39/03/257213903.db2.gz CJGXPUDEJPRLMX-UHFFFAOYSA-N 1 0 372.425 2.559 20 5 FFBDRO [NH3+]C[C@H]1CC[C@H](CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000289227906 257267695 /nfs/dbraw/zinc/26/76/95/257267695.db2.gz LVFFWTHEYGJUCR-XYPYZODXSA-N 1 0 370.247 2.852 20 5 FFBDRO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000289279765 257271557 /nfs/dbraw/zinc/27/15/57/257271557.db2.gz PZALSXAKEXOXDE-HNNXBMFYSA-N 1 0 368.231 2.573 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2C)[C@@H](C)C1 ZINC000289875178 257303939 /nfs/dbraw/zinc/30/39/39/257303939.db2.gz NYSWEUUKDGENEO-XJKSGUPXSA-N 1 0 358.446 2.557 20 5 FFBDRO COCCOCCN(C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000290102689 257315309 /nfs/dbraw/zinc/31/53/09/257315309.db2.gz HSOQFXRUZCISHM-UHFFFAOYSA-N 1 0 351.428 2.813 20 5 FFBDRO C[NH+](C)CCOc1ccccc1-c1nc(Cc2ccc([N+](=O)[O-])cn2)no1 ZINC000290114358 257316047 /nfs/dbraw/zinc/31/60/47/257316047.db2.gz OKXCUONOTBXQAL-UHFFFAOYSA-N 1 0 369.381 2.571 20 5 FFBDRO CCOc1ccc([C@H](O)C2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000291969357 257444646 /nfs/dbraw/zinc/44/46/46/257444646.db2.gz VLVGDBLLSJENSS-IBGZPJMESA-N 1 0 374.441 2.636 20 5 FFBDRO COC(=O)Cc1ccc(N2CCC([NH+]3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000295540969 257636787 /nfs/dbraw/zinc/63/67/87/257636787.db2.gz OHBXAXDYVXSFOO-UHFFFAOYSA-N 1 0 361.442 2.765 20 5 FFBDRO Cc1nc2sccn2c(=O)c1CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296761052 257745921 /nfs/dbraw/zinc/74/59/21/257745921.db2.gz QNUWWTMUQPTLJW-NSHDSACASA-N 1 0 358.423 2.866 20 5 FFBDRO COc1cc[nH+]c(N2CCN(c3ccc([N+](=O)[O-])c4cccnc43)CC2)c1 ZINC000301165652 258030627 /nfs/dbraw/zinc/03/06/27/258030627.db2.gz CPHOCWMMTHLSKD-UHFFFAOYSA-N 1 0 365.393 2.873 20 5 FFBDRO C[N@@H+]1CCCC[C@@H]1CN1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000301186430 258032556 /nfs/dbraw/zinc/03/25/56/258032556.db2.gz KGFSBBWGEWGJNR-GOSISDBHSA-N 1 0 369.469 2.749 20 5 FFBDRO CC[NH+]1CCN([C@H](C)CNc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000301202314 258033368 /nfs/dbraw/zinc/03/33/68/258033368.db2.gz XEGGNRTZWWQWGC-GFCCVEGCSA-N 1 0 371.279 2.795 20 5 FFBDRO Cc1ccnc(N[C@H](C)C[NH+]2CCN(c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000301406094 258047953 /nfs/dbraw/zinc/04/79/53/258047953.db2.gz USCKUAFXDAHBSX-MRXNPFEDSA-N 1 0 355.442 2.921 20 5 FFBDRO COC[C@H](C)C[NH2+]Cc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000299659383 258014874 /nfs/dbraw/zinc/01/48/74/258014874.db2.gz VHIAEUZLMBUFJV-SNVBAGLBSA-N 1 0 366.336 2.917 20 5 FFBDRO C[C@H]([NH2+]C1(CNc2ncc([N+](=O)[O-])cn2)CCOCC1)c1ccccc1 ZINC000302138594 258090370 /nfs/dbraw/zinc/09/03/70/258090370.db2.gz CMXIGQKYARGWKV-AWEZNQCLSA-N 1 0 357.414 2.697 20 5 FFBDRO COC(=O)c1cnc(N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000302754113 258109752 /nfs/dbraw/zinc/10/97/52/258109752.db2.gz IANAVANBXGVGQX-CJNGLKHVSA-N 1 0 370.409 2.709 20 5 FFBDRO COC(=O)c1cnc(NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000302784771 258110792 /nfs/dbraw/zinc/11/07/92/258110792.db2.gz UZJICVUEICXLSL-GFCCVEGCSA-N 1 0 350.419 2.699 20 5 FFBDRO CCCC[N@@H+]1CCCC[C@H]1CNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000301630895 258059850 /nfs/dbraw/zinc/05/98/50/258059850.db2.gz BLMONRGBNUKFBH-ZDUSSCGKSA-N 1 0 362.430 2.992 20 5 FFBDRO Cc1ccc([C@H](CNc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)[NH+](C)C)cc1 ZINC000301701754 258063449 /nfs/dbraw/zinc/06/34/49/258063449.db2.gz TUPMDKVYKCLRAM-KRWDZBQOSA-N 1 0 370.409 2.949 20 5 FFBDRO CS[C@H]1CN(C(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)C[C@@H]1[NH+](C)C ZINC000330646132 258167404 /nfs/dbraw/zinc/16/74/04/258167404.db2.gz GTUFZISLINYBRT-KBPBESRZSA-N 1 0 351.472 2.638 20 5 FFBDRO CC(C)c1n[nH]c(C(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000331212510 258179855 /nfs/dbraw/zinc/17/98/55/258179855.db2.gz KFKYEFNLAOQMJN-XQQFMLRXSA-N 1 0 351.451 2.538 20 5 FFBDRO Cc1c(CNC(=O)N2CCC(C[NH+]3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000331869031 258203580 /nfs/dbraw/zinc/20/35/80/258203580.db2.gz MCXWAKNSTSQUJX-UHFFFAOYSA-N 1 0 360.458 2.921 20 5 FFBDRO Cc1c(NC(=O)CCN2C[C@H]3CCCC[N@H+]3C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000332008720 258210017 /nfs/dbraw/zinc/21/00/17/258210017.db2.gz JSUQEZANNSMVID-GOEBONIOSA-N 1 0 360.458 2.790 20 5 FFBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CC1 ZINC000332249556 258221399 /nfs/dbraw/zinc/22/13/99/258221399.db2.gz XTVXLGYFSXORQN-LBPRGKRZSA-N 1 0 357.357 2.753 20 5 FFBDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000332264133 258222176 /nfs/dbraw/zinc/22/21/76/258222176.db2.gz ODOMQPFAVLOSNW-ZIAGYGMSSA-N 1 0 357.332 2.970 20 5 FFBDRO CC(C)[NH+]1CCC(N2CCN(Cc3ccc([N+](=O)[O-])cc3F)CC2)CC1 ZINC000332400819 258228965 /nfs/dbraw/zinc/22/89/65/258228965.db2.gz VLPNDYAMRZMFNL-UHFFFAOYSA-N 1 0 364.465 2.724 20 5 FFBDRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000332412209 258229482 /nfs/dbraw/zinc/22/94/82/258229482.db2.gz IODDUKDHQSXWRK-FQLMCAECSA-N 1 0 360.458 2.639 20 5 FFBDRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000332412211 258229524 /nfs/dbraw/zinc/22/95/24/258229524.db2.gz IODDUKDHQSXWRK-YXWQFLTLSA-N 1 0 360.458 2.639 20 5 FFBDRO COc1ccc(OCC[N@@H+]2CCC[C@@H](c3nccn3C)C2)c([N+](=O)[O-])c1 ZINC000377261356 512190941 /nfs/dbraw/zinc/19/09/41/512190941.db2.gz INWAVLJILUPPLD-CQSZACIVSA-N 1 0 360.414 2.595 20 5 FFBDRO CC1CC[NH+](Cc2ccc(NC(=O)Cn3cc([N+](=O)[O-])cn3)cc2)CC1 ZINC000053618665 506416914 /nfs/dbraw/zinc/41/69/14/506416914.db2.gz JNVAPZPDNHVKKJ-UHFFFAOYSA-N 1 0 357.414 2.662 20 5 FFBDRO C[NH+](C)[C@H](CNC(=O)NCCc1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000054540173 506574990 /nfs/dbraw/zinc/57/49/90/506574990.db2.gz LIDRIOKTABUIEA-OAHLLOKOSA-N 1 0 362.455 2.801 20 5 FFBDRO O=C(CCOc1ccccc1[N+](=O)[O-])NCC[N@@H+]1CCc2ccccc2C1 ZINC000055181329 506694372 /nfs/dbraw/zinc/69/43/72/506694372.db2.gz CUSOSQDLHMJTEV-UHFFFAOYSA-N 1 0 369.421 2.538 20 5 FFBDRO O=C(NCc1cccc([N+](=O)[O-])c1)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000067004188 506722740 /nfs/dbraw/zinc/72/27/40/506722740.db2.gz PURGECNHESCLOK-INIZCTEOSA-N 1 0 358.398 2.824 20 5 FFBDRO Cc1n[nH]c(C(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000067175171 506781820 /nfs/dbraw/zinc/78/18/20/506781820.db2.gz WAVGXSKQDONKIM-UHFFFAOYSA-N 1 0 371.441 2.611 20 5 FFBDRO C[NH+](C)CCOc1ccc(CNC(=O)NCc2cccc([N+](=O)[O-])c2)cc1 ZINC000067536254 506914556 /nfs/dbraw/zinc/91/45/56/506914556.db2.gz KSIFPEKRYLJFIE-UHFFFAOYSA-N 1 0 372.425 2.535 20 5 FFBDRO Cc1ccc(S(=O)(=O)NCCCC[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000056066283 506922751 /nfs/dbraw/zinc/92/27/51/506922751.db2.gz XDAWURDGZIQNPA-UHFFFAOYSA-N 1 0 369.487 2.694 20 5 FFBDRO CC(C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]1)[N@@H+]1CCc2ccccc2C1 ZINC000045313595 506949167 /nfs/dbraw/zinc/94/91/67/506949167.db2.gz FJCVWORFKYHYDT-GOSISDBHSA-N 1 0 356.426 2.736 20 5 FFBDRO COc1cccc(CNC(=O)[C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000056196408 506960062 /nfs/dbraw/zinc/96/00/62/506960062.db2.gz BVKBUSTUIJJHCH-KGLIPLIRSA-N 1 0 357.410 2.959 20 5 FFBDRO O=C(CNc1ccccc1[N+](=O)[O-])NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000067705598 506981417 /nfs/dbraw/zinc/98/14/17/506981417.db2.gz CJEGJYVJRKFFMK-QGZVFWFLSA-N 1 0 372.425 2.943 20 5 FFBDRO COc1ccc(CC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000067793059 507011403 /nfs/dbraw/zinc/01/14/03/507011403.db2.gz HDSPZYBRXJEEFI-KRWDZBQOSA-N 1 0 369.421 2.537 20 5 FFBDRO COc1cc(C[N@@H+]2CC[C@H](c3nc(C4CC4)no3)C2)c([N+](=O)[O-])cc1OC ZINC000375414793 512313863 /nfs/dbraw/zinc/31/38/63/512313863.db2.gz NGOYYIWWHSSORA-LBPRGKRZSA-N 1 0 374.397 2.862 20 5 FFBDRO COc1ccc(CC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000067907334 507047694 /nfs/dbraw/zinc/04/76/94/507047694.db2.gz JRIXWOFNCBBARI-HNNXBMFYSA-N 1 0 363.458 2.917 20 5 FFBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000057005756 507144376 /nfs/dbraw/zinc/14/43/76/507144376.db2.gz NAZTUTRPUGGVJE-QGZVFWFLSA-N 1 0 354.410 2.669 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000068353803 507198608 /nfs/dbraw/zinc/19/86/08/507198608.db2.gz ASUBDIVQASDFHE-QWHCGFSZSA-N 1 0 369.849 2.864 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC[C@H]1C[NH+]1CCCCC1 ZINC000069077585 507399428 /nfs/dbraw/zinc/39/94/28/507399428.db2.gz FJQXDTGHLTWPKY-KRWDZBQOSA-N 1 0 360.458 2.792 20 5 FFBDRO C[NH+](C)C1(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCCCCC1 ZINC000026956722 507624160 /nfs/dbraw/zinc/62/41/60/507624160.db2.gz AYCZNFYGNISNBS-UHFFFAOYSA-N 1 0 355.460 2.528 20 5 FFBDRO CCc1ccc([C@@H](CNC(=O)COc2ccc([N+](=O)[O-])cc2)[NH+](C)C)cc1 ZINC000027596128 507669451 /nfs/dbraw/zinc/66/94/51/507669451.db2.gz HSEPKIYASRZJIK-LJQANCHMSA-N 1 0 371.437 2.955 20 5 FFBDRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNc1ncc([N+](=O)[O-])c(N)n1 ZINC000071954947 507728521 /nfs/dbraw/zinc/72/85/21/507728521.db2.gz OKSPTSIMRLAMCQ-ZDUSSCGKSA-N 1 0 356.430 2.954 20 5 FFBDRO CC1(C)CC(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC(C)(C)[NH2+]1 ZINC000063465578 507733881 /nfs/dbraw/zinc/73/38/81/507733881.db2.gz OHZSCJUXDPAFJZ-UHFFFAOYSA-N 1 0 371.441 2.820 20 5 FFBDRO Cc1n[nH]c(C(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000072061766 507743028 /nfs/dbraw/zinc/74/30/28/507743028.db2.gz CPJSDEJLKXCBSE-OAHLLOKOSA-N 1 0 357.414 2.502 20 5 FFBDRO C[NH+](C)[C@@H](CNC(=O)COc1ccc([N+](=O)[O-])c(F)c1)c1ccsc1 ZINC000063644519 507754666 /nfs/dbraw/zinc/75/46/66/507754666.db2.gz BSWXLEYPHCYXOZ-HNNXBMFYSA-N 1 0 367.402 2.593 20 5 FFBDRO C[C@H](CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)[NH+]1CCCC1 ZINC000051342878 507764211 /nfs/dbraw/zinc/76/42/11/507764211.db2.gz ZDHDHBLLUAXWGH-GFCCVEGCSA-N 1 0 360.439 2.932 20 5 FFBDRO O=[N+]([O-])c1ccccc1OCCN1CC[NH+](CCc2ccccc2)CC1 ZINC000051375649 507765028 /nfs/dbraw/zinc/76/50/28/507765028.db2.gz JATCGAPOMRSBCA-UHFFFAOYSA-N 1 0 355.438 2.834 20 5 FFBDRO CC[N@@H+](Cc1ccc(OC)cc1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000051406163 507768718 /nfs/dbraw/zinc/76/87/18/507768718.db2.gz VBDWORKFHITATA-QGZVFWFLSA-N 1 0 360.410 2.865 20 5 FFBDRO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000089580801 507847239 /nfs/dbraw/zinc/84/72/39/507847239.db2.gz HWRNOWAEFQFYFW-UZLBHIALSA-N 1 0 370.453 2.869 20 5 FFBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000072725332 507847787 /nfs/dbraw/zinc/84/77/87/507847787.db2.gz OFANTYOTYCZJFT-ZDUSSCGKSA-N 1 0 368.865 2.993 20 5 FFBDRO C[C@@H]1CCC[C@](CNc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])([NH+](C)C)C1 ZINC000089619893 507850892 /nfs/dbraw/zinc/85/08/92/507850892.db2.gz CSLFUNYBPZPGJW-DYVFJYSZSA-N 1 0 369.487 2.921 20 5 FFBDRO CC(C)(C)S(=O)(=O)CC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000089628534 507851938 /nfs/dbraw/zinc/85/19/38/507851938.db2.gz JTIIRJHJVABZTD-OAHLLOKOSA-N 1 0 354.472 2.719 20 5 FFBDRO COCc1cc([N+](=O)[O-])ccc1NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000089644388 507853453 /nfs/dbraw/zinc/85/34/53/507853453.db2.gz IQSAFIQKFWUUFE-RBUKOAKNSA-N 1 0 371.437 2.789 20 5 FFBDRO Cc1c(C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000107600103 507859106 /nfs/dbraw/zinc/85/91/06/507859106.db2.gz ONYFWPYNFRKDIP-ZDUSSCGKSA-N 1 0 362.386 2.512 20 5 FFBDRO CCOC[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000072976709 507879704 /nfs/dbraw/zinc/87/97/04/507879704.db2.gz AUMLHAJMZWKLSE-CQSZACIVSA-N 1 0 365.430 2.681 20 5 FFBDRO COc1ccc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000078641660 507892180 /nfs/dbraw/zinc/89/21/80/507892180.db2.gz JLWAWXSFOYOZQZ-QGZVFWFLSA-N 1 0 369.421 2.998 20 5 FFBDRO CC[C@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000090068432 507906199 /nfs/dbraw/zinc/90/61/99/507906199.db2.gz YYBOYNXYYDRCFZ-DLBZAZTESA-N 1 0 357.414 2.565 20 5 FFBDRO CCc1nc2c(s1)[C@H]([N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O)CCC2 ZINC000090559552 507927485 /nfs/dbraw/zinc/92/74/85/507927485.db2.gz IYCDEAWVUOVRDJ-CQSZACIVSA-N 1 0 362.455 2.785 20 5 FFBDRO CCCc1n[nH]c(C(=O)NCCC[N@H+](C)C2CCCCC2)c1[N+](=O)[O-] ZINC000109428645 507962166 /nfs/dbraw/zinc/96/21/66/507962166.db2.gz HDCYOCDKSKWROS-UHFFFAOYSA-N 1 0 351.451 2.655 20 5 FFBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000079803995 508002444 /nfs/dbraw/zinc/00/24/44/508002444.db2.gz NUJWITWBHVVACI-NSHDSACASA-N 1 0 356.220 2.524 20 5 FFBDRO CC[NH+](CC)C[C@@H](C)NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000079895794 508012279 /nfs/dbraw/zinc/01/22/79/508012279.db2.gz VVVHCMUWVJGIKX-SNVBAGLBSA-N 1 0 358.236 2.817 20 5 FFBDRO CC[N@@H+]1CCCN(C(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)CC1 ZINC000110815713 508049630 /nfs/dbraw/zinc/04/96/30/508049630.db2.gz FRUDSLLSCNFXLQ-UHFFFAOYSA-N 1 0 374.485 2.999 20 5 FFBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000080491312 508078289 /nfs/dbraw/zinc/07/82/89/508078289.db2.gz UXSBUFSZKKKPIE-KRWDZBQOSA-N 1 0 360.458 2.797 20 5 FFBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000075109131 508083370 /nfs/dbraw/zinc/08/33/70/508083370.db2.gz BHFOLNSCBNSCAF-GOSISDBHSA-N 1 0 368.437 2.711 20 5 FFBDRO COc1ccc(C[N@@H+]2CC[C@H](CO)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000092764913 508100497 /nfs/dbraw/zinc/10/04/97/508100497.db2.gz HHUYBVRPIQOPNP-KRWDZBQOSA-N 1 0 372.421 2.997 20 5 FFBDRO CCOc1cc(N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)ccc1[N+](=O)[O-] ZINC000080788477 508103307 /nfs/dbraw/zinc/10/33/07/508103307.db2.gz JAOCFEXNMOGLOU-KRWDZBQOSA-N 1 0 362.474 2.600 20 5 FFBDRO CCc1nn(C)c(N2CCC([NH2+]CCOc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000094162972 508171604 /nfs/dbraw/zinc/17/16/04/508171604.db2.gz WHIPGYBXBRMMNE-UHFFFAOYSA-N 1 0 373.457 2.528 20 5 FFBDRO C[NH+](C)CCN(CC1CCCCC1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000097598511 508226420 /nfs/dbraw/zinc/22/64/20/508226420.db2.gz REPBAQZEZMOMKS-UHFFFAOYSA-N 1 0 369.487 2.727 20 5 FFBDRO C[C@H]1C[NH+](CCCCNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000085457681 508309633 /nfs/dbraw/zinc/30/96/33/508309633.db2.gz GBBUOUVPRBXRJW-STQMWFEESA-N 1 0 369.849 2.867 20 5 FFBDRO CC[C@@H](O)[C@H]1CCCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000114459515 508316167 /nfs/dbraw/zinc/31/61/67/508316167.db2.gz RCNQARJNFKIDOW-HZPDHXFCSA-N 1 0 365.430 2.557 20 5 FFBDRO COC(=O)C[C@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000127201570 508414115 /nfs/dbraw/zinc/41/41/15/508414115.db2.gz GVVCIRFGJYGTQM-INIZCTEOSA-N 1 0 360.366 2.619 20 5 FFBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)c1 ZINC000152289670 508416137 /nfs/dbraw/zinc/41/61/37/508416137.db2.gz MAWCOWWGLXPZCS-CQSZACIVSA-N 1 0 357.414 2.849 20 5 FFBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000115640206 508420047 /nfs/dbraw/zinc/42/00/47/508420047.db2.gz OQWYIBLHSJJRCO-RHSMWYFYSA-N 1 0 364.446 2.853 20 5 FFBDRO CC(C)(C)OC(=O)[C@@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000156549880 508437606 /nfs/dbraw/zinc/43/76/06/508437606.db2.gz NWVSPQGBOSIXDL-ZBFHGGJFSA-N 1 0 350.415 2.682 20 5 FFBDRO CC(C)(C)OC(=O)[C@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000156550014 508437859 /nfs/dbraw/zinc/43/78/59/508437859.db2.gz NWVSPQGBOSIXDL-HOCLYGCPSA-N 1 0 350.415 2.682 20 5 FFBDRO Cc1nn(C)c(C(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000116063624 508468092 /nfs/dbraw/zinc/46/80/92/508468092.db2.gz KPNFAQZYJUGRTN-CQSZACIVSA-N 1 0 371.441 2.592 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000116280311 508494967 /nfs/dbraw/zinc/49/49/67/508494967.db2.gz HAFSVFRVXGOBBF-CQSZACIVSA-N 1 0 353.850 2.792 20 5 FFBDRO O=C(C[NH+]1CCc2ccccc2CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000116299963 508495889 /nfs/dbraw/zinc/49/58/89/508495889.db2.gz JXHKSJUHQWRYFT-UHFFFAOYSA-N 1 0 351.406 2.585 20 5 FFBDRO O=C(C[C@@H]1COCCN1CCOc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000134191316 508505636 /nfs/dbraw/zinc/50/56/36/508505636.db2.gz WFOCHYAIVWRWKX-GOSISDBHSA-N 1 0 370.405 2.947 20 5 FFBDRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000122245662 508506135 /nfs/dbraw/zinc/50/61/35/508506135.db2.gz AJQMBPVHKUXYCM-GOSISDBHSA-N 1 0 370.453 2.609 20 5 FFBDRO C[C@@H](CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)[NH+]1CCC(C)CC1 ZINC000122370716 508524577 /nfs/dbraw/zinc/52/45/77/508524577.db2.gz NURRDTNUKRCGAW-HNNXBMFYSA-N 1 0 371.441 2.631 20 5 FFBDRO CCOCCC[N@@H+]1CC[C@@H](NCc2cc([N+](=O)[O-])ccc2OC)[C@H](C)C1 ZINC000122414808 508531469 /nfs/dbraw/zinc/53/14/69/508531469.db2.gz QSLYPOMPHPUGCX-CRAIPNDOSA-N 1 0 365.474 2.830 20 5 FFBDRO C[C@H]1CCC[N@H+](CCNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000116727797 508552075 /nfs/dbraw/zinc/55/20/75/508552075.db2.gz YZIZYSNIDCUPIP-ZDUSSCGKSA-N 1 0 369.849 2.865 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000122869709 508599900 /nfs/dbraw/zinc/59/99/00/508599900.db2.gz JOMUZRXDUWQKCF-HNNXBMFYSA-N 1 0 372.425 2.898 20 5 FFBDRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000153750013 508641401 /nfs/dbraw/zinc/64/14/01/508641401.db2.gz GHDNRFVBNOVTJL-LJQANCHMSA-N 1 0 374.485 2.610 20 5 FFBDRO CC(C)(C)[NH2+]CCNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000153832597 508658820 /nfs/dbraw/zinc/65/88/20/508658820.db2.gz FXQUCVKFPJJDLD-UHFFFAOYSA-N 1 0 363.336 2.654 20 5 FFBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000136048448 508666883 /nfs/dbraw/zinc/66/68/83/508666883.db2.gz MHNQXLMRTPORGW-OAHLLOKOSA-N 1 0 370.453 2.953 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000153893628 508672202 /nfs/dbraw/zinc/67/22/02/508672202.db2.gz MNGYZXQYSGAADZ-CXAGYDPISA-N 1 0 359.426 2.692 20 5 FFBDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)c3[nH]ncc3[N+](=O)[O-])cc2)C1 ZINC000136245293 508681553 /nfs/dbraw/zinc/68/15/53/508681553.db2.gz NEPSVVIANQUMRX-ZIAGYGMSSA-N 1 0 371.441 2.726 20 5 FFBDRO C[C@@H](Nc1ccc(C(=O)N2CC([NH+](C)C)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000158276068 508681750 /nfs/dbraw/zinc/68/17/50/508681750.db2.gz KEMNFHVAJHFSGW-CYBMUJFWSA-N 1 0 369.425 2.549 20 5 FFBDRO C[C@H]1C[C@H](NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C[N@@H+]1C1CC1 ZINC000123435919 508686651 /nfs/dbraw/zinc/68/66/51/508686651.db2.gz DCBZCEJZKQHZFA-ZFWWWQNUSA-N 1 0 358.442 2.894 20 5 FFBDRO O=C(CC[N@@H+]1CCc2ccccc2[C@H]1CO)Nc1cc([N+](=O)[O-])ccc1F ZINC000129125017 508687477 /nfs/dbraw/zinc/68/74/77/508687477.db2.gz FSKMHCMNNNVTMB-GOSISDBHSA-N 1 0 373.384 2.654 20 5 FFBDRO COc1cc(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000153986761 508692798 /nfs/dbraw/zinc/69/27/98/508692798.db2.gz SOYVFAPHNQNDCS-UHFFFAOYSA-N 1 0 369.421 2.782 20 5 FFBDRO C[N@@H+]1CCC[C@@H]2CN(c3ncc(Br)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000129183249 508695419 /nfs/dbraw/zinc/69/54/19/508695419.db2.gz JRMUEUOWXNDUTD-PWSUYJOCSA-N 1 0 355.236 2.673 20 5 FFBDRO C[NH+](C)CCCC1CCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 ZINC000123511248 508698068 /nfs/dbraw/zinc/69/80/68/508698068.db2.gz QECTWLDZNGSBNB-UHFFFAOYSA-N 1 0 374.485 2.538 20 5 FFBDRO CCCC[NH+]1CCC(NC(=O)NCCNc2ccccc2[N+](=O)[O-])CC1 ZINC000158596099 508726572 /nfs/dbraw/zinc/72/65/72/508726572.db2.gz CPXUULPIYZRYGV-UHFFFAOYSA-N 1 0 363.462 2.570 20 5 FFBDRO C[C@@H](CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)C[NH+]1CCCCC1 ZINC000137173902 508741603 /nfs/dbraw/zinc/74/16/03/508741603.db2.gz YELFILYKMPIRJO-HNNXBMFYSA-N 1 0 371.441 2.632 20 5 FFBDRO C[C@H]1C[NH+](CCCCNC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000129644492 508749872 /nfs/dbraw/zinc/74/98/72/508749872.db2.gz KFVXFDXRVZACLI-KBPBESRZSA-N 1 0 350.419 2.606 20 5 FFBDRO C[C@H]1C[C@@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)C[N@@H+]1Cc1ccccc1 ZINC000137455876 508756178 /nfs/dbraw/zinc/75/61/78/508756178.db2.gz WDRKRUHYXLLZEF-DOTOQJQBSA-N 1 0 369.421 2.753 20 5 FFBDRO Cc1ccc([C@H](C)[NH2+]C[C@]2(N3CCOCC3)CCSC2)cc1[N+](=O)[O-] ZINC000154427110 508782836 /nfs/dbraw/zinc/78/28/36/508782836.db2.gz UHLAXAPFDZRKSC-MAUKXSAKSA-N 1 0 365.499 2.762 20 5 FFBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000124204553 508796253 /nfs/dbraw/zinc/79/62/53/508796253.db2.gz MYSXDQZPZHVDGJ-MRXNPFEDSA-N 1 0 360.458 2.927 20 5 FFBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000159131865 508797004 /nfs/dbraw/zinc/79/70/04/508797004.db2.gz SEENJAHVIIGCKP-ZIAGYGMSSA-N 1 0 358.442 2.855 20 5 FFBDRO COc1ccc(C(=O)NCc2ccc(C[NH+](C)C)c(F)c2)cc1[N+](=O)[O-] ZINC000154569340 508811504 /nfs/dbraw/zinc/81/15/04/508811504.db2.gz XUBOZYVSIDNGBC-UHFFFAOYSA-N 1 0 361.373 2.734 20 5 FFBDRO COc1cccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])c(OC)c2)[NH+](C)C)c1 ZINC000159236289 508812189 /nfs/dbraw/zinc/81/21/89/508812189.db2.gz ALTIJWPKNSOJJU-KRWDZBQOSA-N 1 0 373.409 2.645 20 5 FFBDRO CC[C@H]([NH2+]CCc1ccc(S(N)(=O)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000119708369 508848458 /nfs/dbraw/zinc/84/84/58/508848458.db2.gz FCXRZKGLBZUCOD-KRWDZBQOSA-N 1 0 363.439 2.526 20 5 FFBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000120183853 508945555 /nfs/dbraw/zinc/94/55/55/508945555.db2.gz ZLDTYAQPNUYWQE-HNNXBMFYSA-N 1 0 360.458 2.783 20 5 FFBDRO COC(=O)CC[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)CC(C)C ZINC000120268177 508961434 /nfs/dbraw/zinc/96/14/34/508961434.db2.gz QMSHVUXLXKSSGG-UHFFFAOYSA-N 1 0 362.386 2.666 20 5 FFBDRO C[C@H]1CCC[N@H+](CCCCNC(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000160270972 508963327 /nfs/dbraw/zinc/96/33/27/508963327.db2.gz NOHNTHXBNOOJPK-INIZCTEOSA-N 1 0 362.474 2.949 20 5 FFBDRO COc1ccc(F)cc1CN1CCN(c2nc(C)ccc2[N+](=O)[O-])CC1 ZINC000120292272 508965969 /nfs/dbraw/zinc/96/59/69/508965969.db2.gz OQLMGKANKOYATA-UHFFFAOYSA-N 1 0 360.389 2.768 20 5 FFBDRO CN(C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)c1ccco1 ZINC000120416844 508991746 /nfs/dbraw/zinc/99/17/46/508991746.db2.gz ODHDEHNUZUBDCL-HNNXBMFYSA-N 1 0 354.366 2.769 20 5 FFBDRO O=C(NC1CC[NH+](C2CC2)CC1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000125538648 508996957 /nfs/dbraw/zinc/99/69/57/508996957.db2.gz SVDKWUDMXLIRLE-UHFFFAOYSA-N 1 0 357.332 2.970 20 5 FFBDRO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000155554565 509025078 /nfs/dbraw/zinc/02/50/78/509025078.db2.gz YPBMZGXFZJVRFX-VXGBXAGGSA-N 1 0 355.822 2.568 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+](C)CCC1CCOCC1 ZINC000120705712 509049428 /nfs/dbraw/zinc/04/94/28/509049428.db2.gz DCCMGANZWWDCDP-CYBMUJFWSA-N 1 0 365.430 2.679 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)c1C ZINC000121014056 509110359 /nfs/dbraw/zinc/11/03/59/509110359.db2.gz UQZRBGISGDPFKV-OAHLLOKOSA-N 1 0 369.487 2.707 20 5 FFBDRO C[C@H]1C[N@H+](Cc2ccccc2)CCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000121200865 509149119 /nfs/dbraw/zinc/14/91/19/509149119.db2.gz HLURCGZLGJDZSG-INIZCTEOSA-N 1 0 368.437 2.740 20 5 FFBDRO C[NH+](C)C[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000121216148 509151276 /nfs/dbraw/zinc/15/12/76/509151276.db2.gz NWKCMQDJSASHQE-LBPRGKRZSA-N 1 0 370.247 2.914 20 5 FFBDRO COc1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)cc([N+](=O)[O-])c1C ZINC000188634473 509184293 /nfs/dbraw/zinc/18/42/93/509184293.db2.gz HBJFISSETCPDQW-CVEARBPZSA-N 1 0 361.442 2.999 20 5 FFBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000182378956 509202202 /nfs/dbraw/zinc/20/22/02/509202202.db2.gz UDQOIRWJLIDZDC-LBPRGKRZSA-N 1 0 371.384 2.904 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000172752129 509213047 /nfs/dbraw/zinc/21/30/47/509213047.db2.gz UEPLVYLCSIRPOJ-UHFFFAOYSA-N 1 0 374.485 2.583 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)[C@@H]1COc2ccccc21 ZINC000185565837 509238296 /nfs/dbraw/zinc/23/82/96/509238296.db2.gz YGRMIJPZBGROIO-CJNGLKHVSA-N 1 0 355.394 2.996 20 5 FFBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000248124616 509238717 /nfs/dbraw/zinc/23/87/17/509238717.db2.gz VEOXTEQXXPKOMN-SCLBCKFNSA-N 1 0 356.426 2.561 20 5 FFBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)CC[C@H]21 ZINC000248144183 509246363 /nfs/dbraw/zinc/24/63/63/509246363.db2.gz ZEDGMNHWNUPXDM-SCLBCKFNSA-N 1 0 356.426 2.561 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)[C@@H]1COc2ccccc21 ZINC000185579484 509247456 /nfs/dbraw/zinc/24/74/56/509247456.db2.gz ULTLXFZQAGNKGO-DOMZBBRYSA-N 1 0 371.393 2.696 20 5 FFBDRO C[N@@H+]1CCC[C@@H]2CN(Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)CC[C@H]21 ZINC000248163834 509251530 /nfs/dbraw/zinc/25/15/30/509251530.db2.gz SPPLINHUNNJSBU-GDBMZVCRSA-N 1 0 357.414 2.561 20 5 FFBDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000172843327 509268060 /nfs/dbraw/zinc/26/80/60/509268060.db2.gz XLHIKKINBIUTAT-MRXNPFEDSA-N 1 0 371.441 2.727 20 5 FFBDRO C[N@@H+]1CC[C@H](NC(=O)NCc2ccccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000179111075 509269714 /nfs/dbraw/zinc/26/97/14/509269714.db2.gz GEVKTJXBAXACDR-WMZOPIPTSA-N 1 0 354.410 2.839 20 5 FFBDRO C[C@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@H]1COc2ccccc21 ZINC000185645671 509282848 /nfs/dbraw/zinc/28/28/48/509282848.db2.gz OHTRSWFZYHAMER-SUMWQHHRSA-N 1 0 355.394 2.712 20 5 FFBDRO Cn1cccc1[C@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248478861 509338948 /nfs/dbraw/zinc/33/89/48/509338948.db2.gz ZMNKOMKOODNARP-NVXWUHKLSA-N 1 0 359.426 2.900 20 5 FFBDRO CCOc1cc(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)c([N+](=O)[O-])cc1OC ZINC000173052181 509369838 /nfs/dbraw/zinc/36/98/38/509369838.db2.gz OFAKCUHHBCGEIM-GFCCVEGCSA-N 1 0 367.446 2.708 20 5 FFBDRO O=[N+]([O-])c1ccn(CCN2CC[NH+](Cc3cccc4ccccc43)CC2)n1 ZINC000176197024 509373137 /nfs/dbraw/zinc/37/31/37/509373137.db2.gz OOJIYINGEUPKMH-UHFFFAOYSA-N 1 0 365.437 2.762 20 5 FFBDRO COc1ccc(OCC[NH+]2CCC([C@H]3CCCO3)CC2)c([N+](=O)[O-])c1 ZINC000189121740 509421389 /nfs/dbraw/zinc/42/13/89/509421389.db2.gz UDYBMDDRZKBKLK-QGZVFWFLSA-N 1 0 350.415 2.873 20 5 FFBDRO C[C@H](NC(=O)CNc1ccccc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182821084 509442340 /nfs/dbraw/zinc/44/23/40/509442340.db2.gz OIFKCTLTOJQDGH-GJZGRUSLSA-N 1 0 360.458 2.776 20 5 FFBDRO CC(C)[NH2+]C1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000189179728 509451822 /nfs/dbraw/zinc/45/18/22/509451822.db2.gz OROWIEZKZUFQNF-UHFFFAOYSA-N 1 0 352.410 2.525 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000192361262 509481456 /nfs/dbraw/zinc/48/14/56/509481456.db2.gz RUWKXPBORXSLRR-XJKSGUPXSA-N 1 0 358.394 2.707 20 5 FFBDRO CC(C)C[C@](C)(C[NH3+])NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000236705768 509485822 /nfs/dbraw/zinc/48/58/22/509485822.db2.gz UGYRLONXZZMGBG-CQSZACIVSA-N 1 0 358.236 2.851 20 5 FFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000267479428 509506780 /nfs/dbraw/zinc/50/67/80/509506780.db2.gz XJRXZPOBYWGBJF-MRXNPFEDSA-N 1 0 363.458 2.536 20 5 FFBDRO CCC([NH3+])(CC)CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000236809414 509508448 /nfs/dbraw/zinc/50/84/48/509508448.db2.gz RIKKKNQLVLHDQO-UHFFFAOYSA-N 1 0 363.336 2.783 20 5 FFBDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000236834207 509514584 /nfs/dbraw/zinc/51/45/84/509514584.db2.gz DVCMTOXKZFBLHI-GOSISDBHSA-N 1 0 365.477 2.987 20 5 FFBDRO CCOc1cc(C(=O)Nc2cccc(C[NH2+]C)c2)c([N+](=O)[O-])cc1OC ZINC000236898778 509530066 /nfs/dbraw/zinc/53/00/66/509530066.db2.gz GWWHQFWEACGBBY-UHFFFAOYSA-N 1 0 359.382 2.974 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)[C@H](C)C1 ZINC000183022736 509551930 /nfs/dbraw/zinc/55/19/30/509551930.db2.gz HZJOUWBORSDOGD-BXUZGUMPSA-N 1 0 371.384 2.999 20 5 FFBDRO C[NH2+]C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C1 ZINC000237059280 509562021 /nfs/dbraw/zinc/56/20/21/509562021.db2.gz FQLCLHYQVXWEPK-OAHLLOKOSA-N 1 0 360.458 2.657 20 5 FFBDRO C[C@H]([NH2+]C[C@H](O)COc1ccc(F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000173394627 509571392 /nfs/dbraw/zinc/57/13/92/509571392.db2.gz RJLKAFTYHSLZNY-FZMZJTMJSA-N 1 0 352.337 2.964 20 5 FFBDRO COc1cc(C[NH2+]CCn2ccnc2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000237208675 509594294 /nfs/dbraw/zinc/59/42/94/509594294.db2.gz GKXDQSOCKOEUFI-UHFFFAOYSA-N 1 0 374.319 2.531 20 5 FFBDRO CCn1nc(C)c([N+](=O)[O-])c1NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000192757956 509630184 /nfs/dbraw/zinc/63/01/84/509630184.db2.gz HHEGDZJKFPFUFO-KRWDZBQOSA-N 1 0 373.457 2.688 20 5 FFBDRO C[C@@H](Nc1ccc(C(=O)N2CC[NH2+]C[C@H]2C)cc1[N+](=O)[O-])c1ccccn1 ZINC000237455728 509651658 /nfs/dbraw/zinc/65/16/58/509651658.db2.gz JSTVOIQKDLYTAY-ZIAGYGMSSA-N 1 0 369.425 2.597 20 5 FFBDRO C[NH+](C)CCCNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000192823141 509659336 /nfs/dbraw/zinc/65/93/36/509659336.db2.gz IVNDODFPTYOSQX-UHFFFAOYSA-N 1 0 357.410 2.855 20 5 FFBDRO CN(CC(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC000173660291 509705896 /nfs/dbraw/zinc/70/58/96/509705896.db2.gz NVQVSYYQRSRGMH-GOSISDBHSA-N 1 0 374.416 2.589 20 5 FFBDRO O=C1[C@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCN1CC(F)(F)F ZINC000192990614 509727829 /nfs/dbraw/zinc/72/78/29/509727829.db2.gz SSFZYSHVYCAKOV-ZIAGYGMSSA-N 1 0 357.332 2.725 20 5 FFBDRO [NH3+]C1(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCCCCC1 ZINC000237848165 509751757 /nfs/dbraw/zinc/75/17/57/509751757.db2.gz LXJWLNYINWPODC-UHFFFAOYSA-N 1 0 361.851 2.578 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000176940175 509777001 /nfs/dbraw/zinc/77/70/01/509777001.db2.gz NXPSRDGPKTVLDO-UHFFFAOYSA-N 1 0 367.471 2.589 20 5 FFBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000268158614 509787422 /nfs/dbraw/zinc/78/74/22/509787422.db2.gz QADSTROHWSGYLS-ZDUSSCGKSA-N 1 0 366.849 2.876 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1SC ZINC000268171635 509793845 /nfs/dbraw/zinc/79/38/45/509793845.db2.gz FBNBPGSMWDDZRT-MFKMUULPSA-N 1 0 365.455 2.538 20 5 FFBDRO [NH3+]CC1CCN(C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000238026593 509803594 /nfs/dbraw/zinc/80/35/94/509803594.db2.gz WHXQMKLOSKKDJL-UHFFFAOYSA-N 1 0 374.363 2.613 20 5 FFBDRO COc1cc(CN2CCOC[C@H]2C2CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000180196657 509805461 /nfs/dbraw/zinc/80/54/61/509805461.db2.gz KONCYKXYYRSHPU-AWEZNQCLSA-N 1 0 372.368 2.858 20 5 FFBDRO C[N@@H+]1CCCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3N)cc2)CC1 ZINC000189902532 509818809 /nfs/dbraw/zinc/81/88/09/509818809.db2.gz YYZYODMFJSSHGL-UHFFFAOYSA-N 1 0 369.425 2.571 20 5 FFBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000268231958 509827071 /nfs/dbraw/zinc/82/70/71/509827071.db2.gz SIUUPBGPXHSAJX-NOZJJQNGSA-N 1 0 368.231 2.570 20 5 FFBDRO CC[C@@H]1C[N@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CCS1 ZINC000173928940 509860413 /nfs/dbraw/zinc/86/04/13/509860413.db2.gz FURMZUAJEFQFMG-CYBMUJFWSA-N 1 0 353.444 2.759 20 5 FFBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000268325488 509871019 /nfs/dbraw/zinc/87/10/19/509871019.db2.gz CYJRBWPMICGMLE-OAHLLOKOSA-N 1 0 358.442 2.644 20 5 FFBDRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)Nc1ccncc1[N+](=O)[O-] ZINC000183587697 509872769 /nfs/dbraw/zinc/87/27/69/509872769.db2.gz CXIYVHOPIZOXAJ-UHFFFAOYSA-N 1 0 355.398 2.907 20 5 FFBDRO C[C@@H](CNC(=O)Nc1ccncc1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000183591422 509876212 /nfs/dbraw/zinc/87/62/12/509876212.db2.gz ZYTVXMIZWPSFHW-ZDUSSCGKSA-N 1 0 355.398 2.558 20 5 FFBDRO COC(=O)c1cccc(NC(=O)C[C@@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC000183594465 509877941 /nfs/dbraw/zinc/87/79/41/509877941.db2.gz SZRQDAQOCIKLBT-CYBMUJFWSA-N 1 0 371.393 2.888 20 5 FFBDRO Cc1ccc(C)c(S(=O)(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000190018636 509888504 /nfs/dbraw/zinc/88/85/04/509888504.db2.gz IVPPTDOXWHWLJU-OAHLLOKOSA-N 1 0 369.487 2.707 20 5 FFBDRO C[C@@H]1CO[C@H](c2ccccc2)CN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000245400310 509902395 /nfs/dbraw/zinc/90/23/95/509902395.db2.gz BQYUJHXSQXPPPQ-ZTNFWEORSA-N 1 0 372.421 2.797 20 5 FFBDRO C[C@H]([NH2+]CC(=O)NCCO[C@H]1CCCC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000180407278 509909600 /nfs/dbraw/zinc/90/96/00/509909600.db2.gz MJHNSHOKSQXNLK-VKJFTORMSA-N 1 0 363.458 2.957 20 5 FFBDRO C[C@H]([NH2+]Cc1cccc(S(=O)(=O)N(C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000180428859 509923171 /nfs/dbraw/zinc/92/31/71/509923171.db2.gz HDJYYLKYXHQVRN-ZDUSSCGKSA-N 1 0 363.439 2.696 20 5 FFBDRO CC(=O)Nc1ccc(OC[C@H](O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000180453403 509933476 /nfs/dbraw/zinc/93/34/76/509933476.db2.gz MDOBJXKMVAXXPA-FZKQIMNGSA-N 1 0 373.409 2.644 20 5 FFBDRO CC[N@H+](C)C[C@H]1CCN([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000245445772 509939118 /nfs/dbraw/zinc/93/91/18/509939118.db2.gz KQDCVRBBWVQABV-ZIAGYGMSSA-N 1 0 359.430 2.979 20 5 FFBDRO CC[NH+]1CCC(CCNC(=O)CSc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174114353 509955434 /nfs/dbraw/zinc/95/54/34/509955434.db2.gz IMQOCVCLIIAUGG-UHFFFAOYSA-N 1 0 351.472 2.925 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000174122787 509957990 /nfs/dbraw/zinc/95/79/90/509957990.db2.gz RSZJRYMSBPBTPS-CYBMUJFWSA-N 1 0 350.419 2.942 20 5 FFBDRO COCCC[NH+]1CCC(NC(=O)c2ccc(SC)c([N+](=O)[O-])c2)CC1 ZINC000171126533 509957929 /nfs/dbraw/zinc/95/79/29/509957929.db2.gz WGQIKBFZOHLPDD-UHFFFAOYSA-N 1 0 367.471 2.547 20 5 FFBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)NCCN1CCc2sccc2C1 ZINC000171167834 509983318 /nfs/dbraw/zinc/98/33/18/509983318.db2.gz ZDKPIDXWCXHMFO-UHFFFAOYSA-N 1 0 374.466 2.556 20 5 FFBDRO CC1([C@H]2CCC[N@H+](Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)C2)OCCO1 ZINC000183881090 510020829 /nfs/dbraw/zinc/02/08/29/510020829.db2.gz XCHGQKALCSWLNP-AWEZNQCLSA-N 1 0 374.397 2.620 20 5 FFBDRO C[C@@H](C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000171235664 510026509 /nfs/dbraw/zinc/02/65/09/510026509.db2.gz QMVYGVSLYOPTKB-XHSDSOJGSA-N 1 0 360.458 2.505 20 5 FFBDRO COC(=O)[C@H](C)[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000177413754 510044951 /nfs/dbraw/zinc/04/49/51/510044951.db2.gz KGNBAQLHDMYGFY-FZKQIMNGSA-N 1 0 371.393 2.673 20 5 FFBDRO Nc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000180724013 510074550 /nfs/dbraw/zinc/07/45/50/510074550.db2.gz SVZOXDQQAGPPQU-UHFFFAOYSA-N 1 0 372.450 2.978 20 5 FFBDRO Cc1ccc([C@H](CNC(=O)c2c(N)cccc2[N+](=O)[O-])[NH+]2CCCC2)o1 ZINC000180735029 510082400 /nfs/dbraw/zinc/08/24/00/510082400.db2.gz ANEJMTJRRSGCBY-HNNXBMFYSA-N 1 0 358.398 2.645 20 5 FFBDRO O=C(COc1ccccc1[N+](=O)[O-])NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000193816653 510084875 /nfs/dbraw/zinc/08/48/75/510084875.db2.gz CTUHDZJUCFALGC-KRWDZBQOSA-N 1 0 369.421 2.612 20 5 FFBDRO C[NH+](C)[C@H](CNC(=O)NCCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000193825086 510087679 /nfs/dbraw/zinc/08/76/79/510087679.db2.gz VDMDGWRFSVWATR-GOSISDBHSA-N 1 0 356.426 2.739 20 5 FFBDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000261873983 510097165 /nfs/dbraw/zinc/09/71/65/510097165.db2.gz SRMVJHRKNHJYPY-RBSFLKMASA-N 1 0 360.458 2.640 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CC3CCOCC3)CC2)c2ccncc21 ZINC000265552730 510111959 /nfs/dbraw/zinc/11/19/59/510111959.db2.gz ZCXPOAWNDUDRIY-UHFFFAOYSA-N 1 0 356.426 2.692 20 5 FFBDRO COc1cc(Br)ccc1[C@H](C)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000190435659 510129458 /nfs/dbraw/zinc/12/94/58/510129458.db2.gz NHRJHOGXDMIGGX-JTQLQIEISA-N 1 0 369.219 2.913 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ncc(C2CC[NH2+]CC2)s1 ZINC000261969211 510132261 /nfs/dbraw/zinc/13/22/61/510132261.db2.gz BETAMPWVJCRWEX-UHFFFAOYSA-N 1 0 362.411 2.779 20 5 FFBDRO O=C(NCCC[NH+]1CCCCC1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000184147957 510160718 /nfs/dbraw/zinc/16/07/18/510160718.db2.gz MOZALSAVSAQEQY-UHFFFAOYSA-N 1 0 354.838 2.923 20 5 FFBDRO Cn1ccnc1[C@H]1C[NH2+]CCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000262139549 510190175 /nfs/dbraw/zinc/19/01/75/510190175.db2.gz YYUQUZVFUSYUGE-QGZVFWFLSA-N 1 0 367.409 2.735 20 5 FFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCC(Oc3ccc(F)nc3)CC2)c1 ZINC000190538518 510191493 /nfs/dbraw/zinc/19/14/93/510191493.db2.gz JQNJXRVSRRURHH-KRWDZBQOSA-N 1 0 361.373 2.706 20 5 FFBDRO C[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)N1CC(=O)Nc2ccccc21 ZINC000194058816 510196733 /nfs/dbraw/zinc/19/67/33/510196733.db2.gz LPQZJRQZYQAHPG-CHWSQXEVSA-N 1 0 368.393 2.619 20 5 FFBDRO C[NH2+]C[C@@H]1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 ZINC000269106718 510238847 /nfs/dbraw/zinc/23/88/47/510238847.db2.gz KKXXEDYBOWTNDG-VIFPVBQESA-N 1 0 374.210 2.568 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000194161234 510243759 /nfs/dbraw/zinc/24/37/59/510243759.db2.gz XQBMNZUTULSGOL-CQSZACIVSA-N 1 0 364.446 2.525 20 5 FFBDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000181024493 510244675 /nfs/dbraw/zinc/24/46/75/510244675.db2.gz CVBWRBAIHGAXNR-UHFFFAOYSA-N 1 0 356.426 2.901 20 5 FFBDRO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000184361187 510285151 /nfs/dbraw/zinc/28/51/51/510285151.db2.gz WTIXWSOKBXSSFG-QGZVFWFLSA-N 1 0 371.441 2.657 20 5 FFBDRO CCOc1cc(OC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000190691653 510288129 /nfs/dbraw/zinc/28/81/29/510288129.db2.gz GBUYECYXWOBFMH-KRWDZBQOSA-N 1 0 372.421 2.792 20 5 FFBDRO CC(C)[C@H]([NH3+])CNC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000269251152 510310574 /nfs/dbraw/zinc/31/05/74/510310574.db2.gz GFVDHLPZDOVUCB-UKRRQHHQSA-N 1 0 371.441 2.876 20 5 FFBDRO COc1ccc(CSCC(=O)N(C)CC[C@@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000262593163 510329133 /nfs/dbraw/zinc/32/91/33/510329133.db2.gz VPLNEVODEYMAEM-CQSZACIVSA-N 1 0 369.487 2.668 20 5 FFBDRO CC(C)[NH+]1CCC(N2CCN(c3ncc(Cl)cc3[N+](=O)[O-])CC2)CC1 ZINC000269377612 510371818 /nfs/dbraw/zinc/37/18/18/510371818.db2.gz ODYSREZLLZMMTM-UHFFFAOYSA-N 1 0 367.881 2.638 20 5 FFBDRO CC[C@H](NC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1)c1cccc([N+](=O)[O-])c1 ZINC000262768380 510404019 /nfs/dbraw/zinc/40/40/19/510404019.db2.gz MDVDMROKLJWELU-HOTGVXAUSA-N 1 0 357.414 2.597 20 5 FFBDRO Cc1ccc([C@H](O)C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)o1 ZINC000266096315 510406705 /nfs/dbraw/zinc/40/67/05/510406705.db2.gz ZPTSXKNQOGDVST-MRXNPFEDSA-N 1 0 356.382 2.720 20 5 FFBDRO CC(C)c1n[nH]c(C(=O)N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000269453544 510415190 /nfs/dbraw/zinc/41/51/90/510415190.db2.gz GPTPDBXYTJCBLT-DZGCQCFKSA-N 1 0 371.441 2.834 20 5 FFBDRO CC(C)OCC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000174981480 510417962 /nfs/dbraw/zinc/41/79/62/510417962.db2.gz OUCVYTWGCAEGRQ-UHFFFAOYSA-N 1 0 369.849 2.867 20 5 FFBDRO CC(C)c1n[nH]c(C(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000269488637 510431984 /nfs/dbraw/zinc/43/19/84/510431984.db2.gz XGATWPGETUQAFG-CYBMUJFWSA-N 1 0 359.430 2.692 20 5 FFBDRO CCN(CCC[NH+](CC)CC)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000190966176 510440835 /nfs/dbraw/zinc/44/08/35/510440835.db2.gz BBQVYLQWCIQHTD-UHFFFAOYSA-N 1 0 357.476 2.557 20 5 FFBDRO Cn1cc(C[NH2+]C[C@H](CO)c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000175050371 510460327 /nfs/dbraw/zinc/46/03/27/510460327.db2.gz BNFKWXIFLBIBRQ-GOSISDBHSA-N 1 0 366.421 2.861 20 5 FFBDRO C[C@@H](C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000194670653 510472290 /nfs/dbraw/zinc/47/22/90/510472290.db2.gz CTFCMQPENOWTST-XHSDSOJGSA-N 1 0 360.458 2.505 20 5 FFBDRO CCC[N@H+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2N2CCOC2=O)C1 ZINC000266241888 510478600 /nfs/dbraw/zinc/47/86/00/510478600.db2.gz XNXLYPFCGZMXQL-CQSZACIVSA-N 1 0 362.430 2.720 20 5 FFBDRO COc1cc(C[N@@H+]2CCC[C@H](Cc3nccn3C)C2)c([N+](=O)[O-])cc1OC ZINC000184731738 510488975 /nfs/dbraw/zinc/48/89/75/510488975.db2.gz CMSASHSHISKQKJ-CQSZACIVSA-N 1 0 374.441 2.800 20 5 FFBDRO C[C@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181664736 510529491 /nfs/dbraw/zinc/52/94/91/510529491.db2.gz WZQCCOGTNQAXCM-GJZGRUSLSA-N 1 0 361.442 2.743 20 5 FFBDRO C[C@H]1CC[C@](CO)([N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000188009270 510547466 /nfs/dbraw/zinc/54/74/66/510547466.db2.gz QUNZQBPLYFRETG-ZBEGNZNMSA-N 1 0 355.822 2.670 20 5 FFBDRO CCN(CCC[NH+]1CCCC1)C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000188110795 510598561 /nfs/dbraw/zinc/59/85/61/510598561.db2.gz UJEIHUARKCBNCT-UHFFFAOYSA-N 1 0 371.441 2.729 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000195032552 510639888 /nfs/dbraw/zinc/63/98/88/510639888.db2.gz FDWNVVXIXGZMDA-UHFFFAOYSA-N 1 0 354.410 2.693 20 5 FFBDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1cc2ccccc2c2cccnc12 ZINC000178515414 510640053 /nfs/dbraw/zinc/64/00/53/510640053.db2.gz UICNNYBUVDNQHU-KRWDZBQOSA-N 1 0 363.461 2.965 20 5 FFBDRO C[C@@H](Nc1ccc(C(=O)N2CC[C@H](C[NH3+])C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000178519525 510643446 /nfs/dbraw/zinc/64/34/46/510643446.db2.gz XBQMIBIKNSPDLN-ZIAGYGMSSA-N 1 0 369.425 2.584 20 5 FFBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000246743300 510648363 /nfs/dbraw/zinc/64/83/63/510648363.db2.gz HAJOZZWQRQTNLP-YOEHRIQHSA-N 1 0 358.442 2.725 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@@H]2c2nc3ccccc3s2)c1 ZINC000246815889 510690391 /nfs/dbraw/zinc/69/03/91/510690391.db2.gz WVWBFBZHIOAAMK-UKRRQHHQSA-N 1 0 373.438 2.599 20 5 FFBDRO Cc1cccc(N2CC[NH+](CCCOCC(F)(F)F)CC2)c1[N+](=O)[O-] ZINC000188367140 510731721 /nfs/dbraw/zinc/73/17/21/510731721.db2.gz YEGBFOLRERQOKU-UHFFFAOYSA-N 1 0 361.364 2.994 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N3C[C@@H]4CC[C@H]([NH3+])[C@@H]4C3)cc2[N+](=O)[O-])CC1 ZINC000185187229 510736789 /nfs/dbraw/zinc/73/67/89/510736789.db2.gz SCYHIVGFURWIOW-BBWFWOEESA-N 1 0 372.469 2.640 20 5 FFBDRO C[C@H](Nc1ccc(C(=O)NC[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-])c1ccccn1 ZINC000178721076 510737966 /nfs/dbraw/zinc/73/79/66/510737966.db2.gz OJLRRZVAESOPFQ-DZGCQCFKSA-N 1 0 369.425 2.645 20 5 FFBDRO CC(=O)c1ccc(N2CCC(OCC[NH+]3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000266722595 510748941 /nfs/dbraw/zinc/74/89/41/510748941.db2.gz MCFTWMSFPRPIOS-UHFFFAOYSA-N 1 0 361.442 2.879 20 5 FFBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)n1 ZINC000191618832 510755209 /nfs/dbraw/zinc/75/52/09/510755209.db2.gz NZCZUWSKDUWWEH-CQSZACIVSA-N 1 0 371.441 2.767 20 5 FFBDRO CCC[N@H+](C)C[C@@H]1CCN(c2c(Br)cncc2[N+](=O)[O-])C1 ZINC000270357902 510775329 /nfs/dbraw/zinc/77/53/29/510775329.db2.gz JLMMAEPZLFMTHA-NSHDSACASA-N 1 0 357.252 2.920 20 5 FFBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000191658023 510776261 /nfs/dbraw/zinc/77/62/61/510776261.db2.gz XPNPTLODYMICHQ-GDBMZVCRSA-N 1 0 371.441 2.594 20 5 FFBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000191658037 510776430 /nfs/dbraw/zinc/77/64/30/510776430.db2.gz XPNPTLODYMICHQ-ZBFHGGJFSA-N 1 0 371.441 2.594 20 5 FFBDRO CCN(C(=O)c1nn(CC)cc1[N+](=O)[O-])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000191709122 510795569 /nfs/dbraw/zinc/79/55/69/510795569.db2.gz XHQXGVVZCDFBLE-MRXNPFEDSA-N 1 0 371.441 2.548 20 5 FFBDRO COC(=O)[C@H]1CCCC[C@]1(C)[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000270433163 510807340 /nfs/dbraw/zinc/80/73/40/510807340.db2.gz JNSFWKBMNHFDSB-QAPCUYQASA-N 1 0 364.398 2.673 20 5 FFBDRO C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000178865189 510811064 /nfs/dbraw/zinc/81/10/64/510811064.db2.gz TZGBHDXNICAWOI-HOTGVXAUSA-N 1 0 365.430 2.569 20 5 FFBDRO Cc1ccc([C@H](CNc2ccc(C(N)=O)cc2[N+](=O)[O-])[NH+]2CCCC2)o1 ZINC000263759651 510829691 /nfs/dbraw/zinc/82/96/91/510829691.db2.gz UOEFJWVQUWWKIO-INIZCTEOSA-N 1 0 358.398 2.844 20 5 FFBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000247111237 510836479 /nfs/dbraw/zinc/83/64/79/510836479.db2.gz LOAVKESDIAXOQD-XJKSGUPXSA-N 1 0 351.834 2.733 20 5 FFBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)NC[C@H]3CCC[NH2+]3)cc2[N+](=O)[O-])C1 ZINC000247299782 510856081 /nfs/dbraw/zinc/85/60/81/510856081.db2.gz OUBQFBAYEPSUDA-IJEWVQPXSA-N 1 0 360.458 2.559 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H](C)C1 ZINC000247556772 510865505 /nfs/dbraw/zinc/86/55/05/510865505.db2.gz ZGTMBFDYOXXZMA-KSSFIOAISA-N 1 0 371.441 2.583 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H](c2ccnn2C)C1 ZINC000360305648 510894147 /nfs/dbraw/zinc/89/41/47/510894147.db2.gz LBSMDANBLVZWNG-HNNXBMFYSA-N 1 0 371.441 2.845 20 5 FFBDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3ccc([N+](=O)[O-])c4cccnc34)C2)C1 ZINC000293918377 510898902 /nfs/dbraw/zinc/89/89/02/510898902.db2.gz IHERPCIZHLPBGO-LJQANCHMSA-N 1 0 354.410 2.701 20 5 FFBDRO C[C@@H]1C[C@@H](c2cccnc2)[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000364527092 510916098 /nfs/dbraw/zinc/91/60/98/510916098.db2.gz JTKUQFOLHOCPEZ-BJZITVGISA-N 1 0 357.410 2.813 20 5 FFBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCC1=CC[N@H+](C)CC1 ZINC000285488666 510927768 /nfs/dbraw/zinc/92/77/68/510927768.db2.gz DMASJCRZXNBVJM-UHFFFAOYSA-N 1 0 368.231 2.657 20 5 FFBDRO COCCN1CC[C@H](NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 ZINC000277684186 510968500 /nfs/dbraw/zinc/96/85/00/510968500.db2.gz IXBLRBUQGGRYQJ-AWEZNQCLSA-N 1 0 365.433 2.544 20 5 FFBDRO CCOC1CC2(C1)CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C2 ZINC000285590815 510969038 /nfs/dbraw/zinc/96/90/38/510969038.db2.gz VYOZLTRMJIZMIR-UHFFFAOYSA-N 1 0 365.405 2.954 20 5 FFBDRO COCc1ccc(CNC(=O)CN(C)CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000282437493 510977566 /nfs/dbraw/zinc/97/75/66/510977566.db2.gz KRIOLCLJVCVKHW-UHFFFAOYSA-N 1 0 371.437 2.532 20 5 FFBDRO COCCC[N@H+](C)CCNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000278077428 510980728 /nfs/dbraw/zinc/98/07/28/510980728.db2.gz GXKKIHATEUMYAY-UHFFFAOYSA-N 1 0 367.449 2.792 20 5 FFBDRO CCOCCC[N@@H+]1CC[C@H](NCc2ccc([N+](=O)[O-])c(F)c2)[C@@H](C)C1 ZINC000282478879 510993271 /nfs/dbraw/zinc/99/32/71/510993271.db2.gz LMFNXSRCCSLQGD-YOEHRIQHSA-N 1 0 353.438 2.961 20 5 FFBDRO C[N@@H+]1CC[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(F)cc1 ZINC000361204180 511012644 /nfs/dbraw/zinc/01/26/44/511012644.db2.gz NCJBCYLTIILBQF-HKUYNNGSSA-N 1 0 357.385 2.838 20 5 FFBDRO Cc1ccc([C@H](C)NC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)cc1[N+](=O)[O-] ZINC000364725449 511044581 /nfs/dbraw/zinc/04/45/81/511044581.db2.gz SWGFTLUDSGYZLV-PQIIZBDJSA-N 1 0 361.442 2.613 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000282643557 511057827 /nfs/dbraw/zinc/05/78/27/511057827.db2.gz LLTQQUAQVCJOAT-MRXNPFEDSA-N 1 0 369.421 2.998 20 5 FFBDRO O=C(CCC(=O)N1CC[C@H]([NH+]2CCCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000294560715 511104635 /nfs/dbraw/zinc/10/46/35/511104635.db2.gz JJTZKCHATHHCLG-KRWDZBQOSA-N 1 0 359.426 2.645 20 5 FFBDRO COc1cc(C(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000294596795 511114767 /nfs/dbraw/zinc/11/47/67/511114767.db2.gz USMIWNPTJFFRPA-RYUDHWBXSA-N 1 0 353.394 2.593 20 5 FFBDRO CCC[C@@H]([NH2+][C@H]1CCN(C2CCOCC2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000362303854 511164899 /nfs/dbraw/zinc/16/48/99/511164899.db2.gz NUXVETDQKVFORK-MSOLQXFVSA-N 1 0 361.442 2.806 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1CN1C[C@H](C)OC2(CCOCC2)C1 ZINC000279731651 511193098 /nfs/dbraw/zinc/19/30/98/511193098.db2.gz JPOKWZRVMOZFBA-AWEZNQCLSA-N 1 0 350.415 2.763 20 5 FFBDRO CCOC1(C)CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000298230275 511216907 /nfs/dbraw/zinc/21/69/07/511216907.db2.gz HFQNEONAVUFQCS-UHFFFAOYSA-N 1 0 365.430 2.823 20 5 FFBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000362792370 511239149 /nfs/dbraw/zinc/23/91/49/511239149.db2.gz QNBOJHFHBDTJGW-WBVHZDCISA-N 1 0 358.442 2.896 20 5 FFBDRO O=C(NCCC[C@H]1CCC[NH2+]1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000294976430 511240828 /nfs/dbraw/zinc/24/08/28/511240828.db2.gz XTLMTBJMSLZEQI-LLVKDONJSA-N 1 0 356.220 2.619 20 5 FFBDRO COc1cccc([C@H](C)[NH2+]CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)c1 ZINC000271731765 511304047 /nfs/dbraw/zinc/30/40/47/511304047.db2.gz YQJPLECZGWWLHG-ZDUSSCGKSA-N 1 0 355.394 2.843 20 5 FFBDRO C[C@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)CC(=O)N2C ZINC000271762072 511314642 /nfs/dbraw/zinc/31/46/42/511314642.db2.gz BCKLSZPBLSZGPC-ZDUSSCGKSA-N 1 0 355.394 2.843 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC(c2ccncn2)CC1 ZINC000298532125 511318358 /nfs/dbraw/zinc/31/83/58/511318358.db2.gz WNLWTDDHJGBHGN-UHFFFAOYSA-N 1 0 355.398 2.511 20 5 FFBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000295279731 511347288 /nfs/dbraw/zinc/34/72/88/511347288.db2.gz MMZASSDKJTWKGT-WMLDXEAASA-N 1 0 359.426 2.643 20 5 FFBDRO COCCCN(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000291892423 511379337 /nfs/dbraw/zinc/37/93/37/511379337.db2.gz OXEIMAOEKUGEFD-UHFFFAOYSA-N 1 0 369.849 2.821 20 5 FFBDRO C[C@H](CO)[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)CC1CCC1 ZINC000280293277 511410147 /nfs/dbraw/zinc/41/01/47/511410147.db2.gz FGSMWDBQUIJGLK-LLVKDONJSA-N 1 0 355.822 2.670 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@](C)(OC)CC1 ZINC000280349715 511431505 /nfs/dbraw/zinc/43/15/05/511431505.db2.gz IWKZVPXITLVMID-SFHVURJKSA-N 1 0 365.430 2.823 20 5 FFBDRO C[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC2(CCOCC2)O1 ZINC000280377377 511442651 /nfs/dbraw/zinc/44/26/51/511442651.db2.gz DZIHWTCRPIBFRJ-LBPRGKRZSA-N 1 0 372.368 2.966 20 5 FFBDRO C[NH+]1CCC2(CC1)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)c1ccccc1O2 ZINC000298953376 511462855 /nfs/dbraw/zinc/46/28/55/511462855.db2.gz UXYKJVXRLSNIPO-OAHLLOKOSA-N 1 0 370.409 2.641 20 5 FFBDRO C[NH+](C)CCOc1ccc(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)cc1 ZINC000272212370 511467121 /nfs/dbraw/zinc/46/71/21/511467121.db2.gz QIHQUDUKZSRINP-UHFFFAOYSA-N 1 0 373.365 2.516 20 5 FFBDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000272258742 511482167 /nfs/dbraw/zinc/48/21/67/511482167.db2.gz MMANXTPZYACIRC-GJZGRUSLSA-N 1 0 360.458 2.785 20 5 FFBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000280558374 511511168 /nfs/dbraw/zinc/51/11/68/511511168.db2.gz UTOULCANDSLATP-IAQYHMDHSA-N 1 0 369.824 2.873 20 5 FFBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000292404049 511585787 /nfs/dbraw/zinc/58/57/87/511585787.db2.gz TZXFJGRHCBTETJ-CABCVRRESA-N 1 0 360.458 2.728 20 5 FFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](CO)[C@H]1CCOC1 ZINC000280895472 511645190 /nfs/dbraw/zinc/64/51/90/511645190.db2.gz PIFYPTIXRSWRCJ-RRFJBIMHSA-N 1 0 354.472 2.700 20 5 FFBDRO C[C@@H](C(=O)Nc1cccc(F)c1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365845327 511683092 /nfs/dbraw/zinc/68/30/92/511683092.db2.gz IPULAKQVOAPSGW-LBPRGKRZSA-N 1 0 361.377 2.595 20 5 FFBDRO CC(=O)c1ccccc1OCC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365870767 511701941 /nfs/dbraw/zinc/70/19/41/511701941.db2.gz HVXLIOWFVLVIPZ-UHFFFAOYSA-N 1 0 358.398 2.710 20 5 FFBDRO C[N@@H+]1CCC[C@@]2(CCN(Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)C1 ZINC000292883168 511757456 /nfs/dbraw/zinc/75/74/56/511757456.db2.gz FEGAFLSFWOHIEW-GOSISDBHSA-N 1 0 357.414 2.563 20 5 FFBDRO CC(C)NC(=O)c1ccc(N2CC[C@@H](C[NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000292931969 511776126 /nfs/dbraw/zinc/77/61/26/511776126.db2.gz AMKCYRPSDGZBOE-HNNXBMFYSA-N 1 0 360.458 2.655 20 5 FFBDRO C[N@@H+]1CCC[C@]2(CCN(CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])C2)C1 ZINC000292965101 511789070 /nfs/dbraw/zinc/78/90/70/511789070.db2.gz LUCLEQFNZNAGCJ-KRWDZBQOSA-N 1 0 366.849 2.604 20 5 FFBDRO CC(C)(CCC(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1)[N+](=O)[O-] ZINC000296590635 511809652 /nfs/dbraw/zinc/80/96/52/511809652.db2.gz FLPRUHGULRHLLT-MRXNPFEDSA-N 1 0 365.499 2.556 20 5 FFBDRO COc1ccc(NC(=O)CC[N@@H+]2CCCO[C@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000293042146 511818176 /nfs/dbraw/zinc/81/81/76/511818176.db2.gz HCXVEFMWNQGFMO-KRWDZBQOSA-N 1 0 365.430 2.679 20 5 FFBDRO C[N@H+](CCCOCc1ccccc1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000281398255 511832184 /nfs/dbraw/zinc/83/21/84/511832184.db2.gz NIMGITOTCSRLEB-UHFFFAOYSA-N 1 0 357.410 2.732 20 5 FFBDRO Cc1c(NC(=O)CC[N@H+]2CCC[C@@](CO)(C(C)C)C2)cccc1[N+](=O)[O-] ZINC000293094483 511837130 /nfs/dbraw/zinc/83/71/30/511837130.db2.gz PSPCZOZMTFWXMN-LJQANCHMSA-N 1 0 363.458 2.962 20 5 FFBDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1CCO)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000284823326 511885590 /nfs/dbraw/zinc/88/55/90/511885590.db2.gz AGOBNISPPSGBRR-MISXGVKJSA-N 1 0 355.822 2.716 20 5 FFBDRO Cc1cc([N+](=O)[O-])cnc1N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000284822632 511885734 /nfs/dbraw/zinc/88/57/34/511885734.db2.gz JRXOWTMFFXDCEO-WMLDXEAASA-N 1 0 358.446 2.551 20 5 FFBDRO CCCc1n[nH]c(C(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000274615567 511888797 /nfs/dbraw/zinc/88/87/97/511888797.db2.gz YHCDFFIQYUFSTD-BLLLJJGKSA-N 1 0 359.430 2.692 20 5 FFBDRO CS[C@H]1CN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C[C@@H]1[NH+]1CCCC1 ZINC000274851678 511964087 /nfs/dbraw/zinc/96/40/87/511964087.db2.gz AZNGKFVXCFGANH-IRXDYDNUSA-N 1 0 374.466 2.728 20 5 FFBDRO C[C@@]1([NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCO[C@@H]1C1CC1 ZINC000364235809 512036119 /nfs/dbraw/zinc/03/61/19/512036119.db2.gz RURYPZAXKDKMCP-IAGOWNOFSA-N 1 0 351.378 2.610 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000369562730 512480460 /nfs/dbraw/zinc/48/04/60/512480460.db2.gz VCCRKOYWMAXNFV-UHFFFAOYSA-N 1 0 372.429 2.741 20 5 FFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCC2(CCN(C)C2=O)CC1 ZINC000373911849 512567442 /nfs/dbraw/zinc/56/74/42/512567442.db2.gz SJEIGUIUVJRSMU-UHFFFAOYSA-N 1 0 361.442 2.826 20 5 FFBDRO COC(=O)[C@H]1CCCC[C@]1(C)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411404169 512619338 /nfs/dbraw/zinc/61/93/38/512619338.db2.gz DOVGYRBZBLULRK-QAPCUYQASA-N 1 0 363.414 2.635 20 5 FFBDRO C[C@@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000374028778 512630356 /nfs/dbraw/zinc/63/03/56/512630356.db2.gz STDQRVLSKWVZOQ-RKVPGOIHSA-N 1 0 350.415 2.632 20 5 FFBDRO O=C(CC[NH2+]C1(c2ccc3c(c2)OCO3)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411485066 512657827 /nfs/dbraw/zinc/65/78/27/512657827.db2.gz QBHSGLXSKHDBQP-UHFFFAOYSA-N 1 0 369.377 2.931 20 5 FFBDRO C[C@H]1CN(c2c(Cl)cccc2[N+](=O)[O-])CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000367927334 512727086 /nfs/dbraw/zinc/72/70/86/512727086.db2.gz PRDDMGXSZZHIPW-ZFWWWQNUSA-N 1 0 352.866 2.710 20 5 FFBDRO CCC[NH+]1CCC(CNC(=O)Cc2c(F)c(OC)ccc2[N+](=O)[O-])CC1 ZINC000411791496 512814245 /nfs/dbraw/zinc/81/42/45/512814245.db2.gz PWUMVSDWFFYHCO-UHFFFAOYSA-N 1 0 367.421 2.523 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000374413941 512821499 /nfs/dbraw/zinc/82/14/99/512821499.db2.gz YMQQJDMQQFEOQI-KBMXLJTQSA-N 1 0 367.833 2.572 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](C)[C@@](C)(OC)C1CC1 ZINC000411969379 512894850 /nfs/dbraw/zinc/89/48/50/512894850.db2.gz LJJHYKNCMMKECM-KZULUSFZSA-N 1 0 365.430 2.725 20 5 FFBDRO COc1ccc(NC(=O)CC[NH2+][C@@H](C)[C@@](C)(OC)C2CC2)c([N+](=O)[O-])c1 ZINC000411970974 512895918 /nfs/dbraw/zinc/89/59/18/512895918.db2.gz OBRNYODRIDHTCW-KPZWWZAWSA-N 1 0 365.430 2.725 20 5 FFBDRO CCOc1cc(C[N@@H+]2CC[C@](C(N)=O)(c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000411975218 512898644 /nfs/dbraw/zinc/89/86/44/512898644.db2.gz ZVWYFRBRQJORBP-HXUWFJFHSA-N 1 0 369.421 2.623 20 5 FFBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H](O)COCc2ccc(Cl)cc2)c1 ZINC000391963460 512920414 /nfs/dbraw/zinc/92/04/14/512920414.db2.gz CSDUMLYAFFRIOE-KRWDZBQOSA-N 1 0 350.802 2.916 20 5 FFBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC000372544510 512931448 /nfs/dbraw/zinc/93/14/48/512931448.db2.gz FGCNTRLHAVJLCL-UHFFFAOYSA-N 1 0 353.422 2.875 20 5 FFBDRO CCOc1cc(C[N@@H+]2CCC[C@H](N3CCCC3=O)CC2)ccc1[N+](=O)[O-] ZINC000412057587 512935463 /nfs/dbraw/zinc/93/54/63/512935463.db2.gz RPEFPYOGZCNHCA-INIZCTEOSA-N 1 0 361.442 2.970 20 5 FFBDRO O=C(CC[N@@H+]1CCC[C@H](c2ccncn2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000372599286 512963375 /nfs/dbraw/zinc/96/33/75/512963375.db2.gz KFEUOGOFHWMIMT-ZDUSSCGKSA-N 1 0 373.388 2.732 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)c1F ZINC000412143288 512976519 /nfs/dbraw/zinc/97/65/19/512976519.db2.gz IQYINYLEOBGSEW-ZDUSSCGKSA-N 1 0 367.421 2.618 20 5 FFBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1C[C@H](C)N(C)C[C@H]1C ZINC000408003328 512982768 /nfs/dbraw/zinc/98/27/68/512982768.db2.gz DZSIQOLWKVYIFY-VHSXEESVSA-N 1 0 370.247 2.830 20 5 FFBDRO Cc1c(CNC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)cccc1[N+](=O)[O-] ZINC000412294418 513027574 /nfs/dbraw/zinc/02/75/74/513027574.db2.gz VLFPUUQYOBMRNG-MRXNPFEDSA-N 1 0 363.483 2.737 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@H]2CCO[C@]3(CCSC3)C2)n1 ZINC000408289727 513039188 /nfs/dbraw/zinc/03/91/88/513039188.db2.gz IVOXKICUOWMVBS-LJIGWXMPSA-N 1 0 366.487 2.919 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)n1 ZINC000408289725 513039191 /nfs/dbraw/zinc/03/91/91/513039191.db2.gz IVOXKICUOWMVBS-DLTWYDFYSA-N 1 0 366.487 2.919 20 5 FFBDRO Cc1ncc2c(n1)CC[C@H]([NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)C2 ZINC000370671359 513044558 /nfs/dbraw/zinc/04/45/58/513044558.db2.gz QKKNBCJNNVUHAD-WBMJQRKESA-N 1 0 369.425 2.557 20 5 FFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000370750008 513083216 /nfs/dbraw/zinc/08/32/16/513083216.db2.gz OBCKNDHTXDWLJM-CYBMUJFWSA-N 1 0 368.821 2.623 20 5 FFBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N(C1CC1)C1CC[NH2+]CC1 ZINC000370785594 513098475 /nfs/dbraw/zinc/09/84/75/513098475.db2.gz FLFJAWNXIIYACP-UHFFFAOYSA-N 1 0 367.833 2.760 20 5 FFBDRO O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000370827328 513114656 /nfs/dbraw/zinc/11/46/56/513114656.db2.gz RXEMTLIWGAXAMB-ZDUSSCGKSA-N 1 0 357.332 2.924 20 5 FFBDRO C[NH+]1CCC2(CCCN2C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000450351591 513155154 /nfs/dbraw/zinc/15/51/54/513155154.db2.gz VNKLUMVSWPEQDM-UHFFFAOYSA-N 1 0 359.426 2.645 20 5 FFBDRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000424471354 513161567 /nfs/dbraw/zinc/16/15/67/513161567.db2.gz CMBIOLHRGJLFLV-CHWSQXEVSA-N 1 0 360.336 2.683 20 5 FFBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1C[C@H](SC)[C@@H]([NH+](C)C)C1 ZINC000450409087 513181505 /nfs/dbraw/zinc/18/15/05/513181505.db2.gz XCAOGPHIRWMONA-HOTGVXAUSA-N 1 0 362.455 2.633 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC000439888179 513203364 /nfs/dbraw/zinc/20/33/64/513203364.db2.gz NBDQLZCZLAPOSL-OLZOCXBDSA-N 1 0 350.419 2.940 20 5 FFBDRO CC(C)c1n[nH]c(C(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000433987853 513209180 /nfs/dbraw/zinc/20/91/80/513209180.db2.gz KDZWXVRQLAEYBH-YVEFUNNKSA-N 1 0 351.451 2.682 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000439914364 513210223 /nfs/dbraw/zinc/21/02/23/513210223.db2.gz XSQYPTSVAXAXHC-MRXNPFEDSA-N 1 0 368.459 2.552 20 5 FFBDRO Cc1ccc([C@H](C)NC(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000417854508 513240538 /nfs/dbraw/zinc/24/05/38/513240538.db2.gz QDCQLBYELKBLCP-WMLDXEAASA-N 1 0 360.458 2.995 20 5 FFBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+]C1CC2(C1)CCCCC2 ZINC000421369481 513240866 /nfs/dbraw/zinc/24/08/66/513240866.db2.gz VUIQVXIYZLZNFO-UHFFFAOYSA-N 1 0 367.471 2.576 20 5 FFBDRO C[C@H]1CCCN(c2ccc(C(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)cc2[N+](=O)[O-])C1 ZINC000446376947 513249293 /nfs/dbraw/zinc/24/92/93/513249293.db2.gz NUVCNIHJRYDCIF-BHYGNILZSA-N 1 0 372.469 2.798 20 5 FFBDRO CC(C)[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C[C@H](O)CO ZINC000421410933 513253589 /nfs/dbraw/zinc/25/35/89/513253589.db2.gz PVXUERLSTPGZDF-HNNXBMFYSA-N 1 0 350.440 2.887 20 5 FFBDRO Cc1c(NC(=O)CCN2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000429044417 513266244 /nfs/dbraw/zinc/26/62/44/513266244.db2.gz UHWNZPVDCTYUHB-ZRGWGRIASA-N 1 0 374.485 2.894 20 5 FFBDRO C[NH+](C)CC1(CNC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CCCC1 ZINC000450607383 513272129 /nfs/dbraw/zinc/27/21/29/513272129.db2.gz XKOSUBYQOIKIDY-UHFFFAOYSA-N 1 0 361.442 2.796 20 5 FFBDRO CC[NH+](CC)CCN(CCOC)C(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000421479794 513279136 /nfs/dbraw/zinc/27/91/36/513279136.db2.gz YYGLICLDNOQQPI-UHFFFAOYSA-N 1 0 351.447 2.642 20 5 FFBDRO C[C@H]1C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])Cc2ccccc2O1 ZINC000429140476 513289128 /nfs/dbraw/zinc/28/91/28/513289128.db2.gz ZLRRLQCJKISWIF-GOEBONIOSA-N 1 0 358.394 2.618 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N[C@H]3CCC[C@@H]3C[NH3+])cc2[N+](=O)[O-])C1 ZINC000429186828 513301478 /nfs/dbraw/zinc/30/14/78/513301478.db2.gz VHCBTAGBUWUDDE-BMFZPTHFSA-N 1 0 360.458 2.688 20 5 FFBDRO C[C@H]1CCCN(c2ccc(C(=O)NCC[C@@H]3CCC[NH2+]C3)cc2[N+](=O)[O-])C1 ZINC000429208629 513306313 /nfs/dbraw/zinc/30/63/13/513306313.db2.gz ADHRONOQAVUALZ-HOTGVXAUSA-N 1 0 374.485 2.951 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCc2ccc([C@H](C)[NH3+])cc2)c1C ZINC000440422216 513318640 /nfs/dbraw/zinc/31/86/40/513318640.db2.gz RLAWPIIDZNTGPE-ZDUSSCGKSA-N 1 0 363.439 2.710 20 5 FFBDRO C[C@@H]1CCN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000418002627 513329049 /nfs/dbraw/zinc/32/90/49/513329049.db2.gz YYXZFUOOPXMMTC-RISCZKNCSA-N 1 0 354.838 2.560 20 5 FFBDRO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000418089271 513367979 /nfs/dbraw/zinc/36/79/79/513367979.db2.gz LYTDLDSKSOSMFK-RISCZKNCSA-N 1 0 372.347 2.507 20 5 FFBDRO C[N@@H+]1CCN(CCNc2ccc([N+](=O)[O-])cc2OC(F)F)CC1(C)C ZINC000440645183 513369812 /nfs/dbraw/zinc/36/98/12/513369812.db2.gz CTLGDKFOMLFJHI-UHFFFAOYSA-N 1 0 358.389 2.634 20 5 FFBDRO COc1ccc(OCC[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)c([N+](=O)[O-])c1 ZINC000450859054 513371642 /nfs/dbraw/zinc/37/16/42/513371642.db2.gz LRSNZDUUEBFRKV-ZTFGCOKTSA-N 1 0 362.426 2.920 20 5 FFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CCCCN1C1CC1 ZINC000446976932 513372787 /nfs/dbraw/zinc/37/27/87/513372787.db2.gz ZEDUSGDRFVWYLG-KDOFPFPSSA-N 1 0 360.458 2.918 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N3CC[NH2+][C@@H](C)[C@H]3C)cc2[N+](=O)[O-])C1 ZINC000434715300 513405304 /nfs/dbraw/zinc/40/53/04/513405304.db2.gz XNNKBBVUBUFETK-QLFBSQMISA-N 1 0 360.458 2.654 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CC3(N4CCOCC4)CC3)o2)cc1 ZINC000434790128 513431044 /nfs/dbraw/zinc/43/10/44/513431044.db2.gz QWTFAQLKZHDAAG-UHFFFAOYSA-N 1 0 357.410 2.809 20 5 FFBDRO COC1CC[NH+](C2(CNc3ncc([N+](=O)[O-])cc3F)CCCC2)CC1 ZINC000413127167 513465481 /nfs/dbraw/zinc/46/54/81/513465481.db2.gz AQBJQWBCMOETLW-UHFFFAOYSA-N 1 0 352.410 2.964 20 5 FFBDRO Cc1cccc(OC[C@H](O)C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000447543210 513504062 /nfs/dbraw/zinc/50/40/62/513504062.db2.gz LDQVZRXBAMLMPK-BPQIPLTHSA-N 1 0 374.441 2.613 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]Cc2cccnc2-n2cccn2)n1 ZINC000447550485 513505191 /nfs/dbraw/zinc/50/51/91/513505191.db2.gz NIICQJXXHWNNRD-JKSUJKDBSA-N 1 0 367.413 2.646 20 5 FFBDRO CCCC[C@@H](C[NH3+])NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000418449924 513515263 /nfs/dbraw/zinc/51/52/63/513515263.db2.gz SMSBSEAFMNKJMZ-AWEZNQCLSA-N 1 0 364.446 2.665 20 5 FFBDRO O=C(NCC[NH2+]C1CCCCCC1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000418471793 513523490 /nfs/dbraw/zinc/52/34/90/513523490.db2.gz WCLQKQAMIHQXQQ-UHFFFAOYSA-N 1 0 360.458 2.975 20 5 FFBDRO C[C@H]1CN(c2nccc3ccc([N+](=O)[O-])cc32)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000413214015 513525112 /nfs/dbraw/zinc/52/51/12/513525112.db2.gz KSVBLHLCOYSMIT-KXBFYZLASA-N 1 0 369.469 2.605 20 5 FFBDRO C[C@@H](O)C[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000441271716 513525970 /nfs/dbraw/zinc/52/59/70/513525970.db2.gz ROZLKTNBWCTNNI-UONOGXRCSA-N 1 0 366.849 2.759 20 5 FFBDRO C[C@@H]([NH3+])c1ccc(CNC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000418496005 513533039 /nfs/dbraw/zinc/53/30/39/513533039.db2.gz UWHRGWJAZLFPFE-CYBMUJFWSA-N 1 0 370.409 2.587 20 5 FFBDRO C[C@H](CN=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1)[N@@H+]1CCc2sccc2C1 ZINC000447670913 513537013 /nfs/dbraw/zinc/53/70/13/513537013.db2.gz OPXGEOVELSJEFZ-LLVKDONJSA-N 1 0 357.439 2.813 20 5 FFBDRO C[NH+](C)[C@@H]1CCOc2c(NC(=O)COc3ccc([N+](=O)[O-])cc3)cccc21 ZINC000447725353 513553266 /nfs/dbraw/zinc/55/32/66/513553266.db2.gz BVSCJVWPSPAQRA-QGZVFWFLSA-N 1 0 371.393 2.998 20 5 FFBDRO CN(C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C(C)(C)C[NH+]1CCCC1 ZINC000416096594 513570569 /nfs/dbraw/zinc/57/05/69/513570569.db2.gz PJCCZPOVYJFCDP-UHFFFAOYSA-N 1 0 371.441 2.727 20 5 FFBDRO CN(C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C(C)(C)C[NH+]1CCCC1 ZINC000416105049 513574240 /nfs/dbraw/zinc/57/42/40/513574240.db2.gz KUHAABUSCKFSFQ-UHFFFAOYSA-N 1 0 358.442 2.951 20 5 FFBDRO O=[N+]([O-])c1ccc(CN2CCOCC2)cc1NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000447813616 513578444 /nfs/dbraw/zinc/57/84/44/513578444.db2.gz SRJBCVFRMJYBIU-SFHVURJKSA-N 1 0 374.485 2.856 20 5 FFBDRO C[NH+](C)[C@@H]1CCC[C@@H](Nc2cc(CN3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000447817335 513581994 /nfs/dbraw/zinc/58/19/94/513581994.db2.gz NNCPNWMIHCKYEQ-IAGOWNOFSA-N 1 0 362.474 2.712 20 5 FFBDRO CC(C)(C)OC(=O)CC[C@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000425477457 513588701 /nfs/dbraw/zinc/58/87/01/513588701.db2.gz OCTMZXSUWYWSFP-CQSZACIVSA-N 1 0 352.435 2.768 20 5 FFBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@H](C2CCOCC2)C2(CO)CCC2)cc1 ZINC000425536334 513625544 /nfs/dbraw/zinc/62/55/44/513625544.db2.gz HGAOMCNEYGFWBE-GOSISDBHSA-N 1 0 364.442 2.521 20 5 FFBDRO Cc1ncsc1CN(C[C@H]1CC[NH2+]C1)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000435601800 513631749 /nfs/dbraw/zinc/63/17/49/513631749.db2.gz QSXAUZSFXSJDLS-HNNXBMFYSA-N 1 0 374.466 2.541 20 5 FFBDRO O=C(N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000418779768 513655384 /nfs/dbraw/zinc/65/53/84/513655384.db2.gz BINGRNIIZSATSI-ARFHVFGLSA-N 1 0 358.442 2.657 20 5 FFBDRO Cn1ccnc1CN(Cc1c(F)cccc1[N+](=O)[O-])[C@H]1CC12CC[NH2+]CC2 ZINC000435697222 513660430 /nfs/dbraw/zinc/66/04/30/513660430.db2.gz XNRFJXONEHOLTP-KRWDZBQOSA-N 1 0 373.432 2.612 20 5 FFBDRO C[NH+](C)C1(CNC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)CC1 ZINC000416309810 513704024 /nfs/dbraw/zinc/70/40/24/513704024.db2.gz XNVUHXRITVQUOB-UHFFFAOYSA-N 1 0 371.387 2.784 20 5 FFBDRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000418993582 513709841 /nfs/dbraw/zinc/70/98/41/513709841.db2.gz HCHVNPXWVHKTED-ZIAGYGMSSA-N 1 0 374.416 2.687 20 5 FFBDRO Cc1cc(NCC2(CS(C)(=O)=O)CCC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000413584588 513725322 /nfs/dbraw/zinc/72/53/22/513725322.db2.gz QSGBCQKPLACVKK-UHFFFAOYSA-N 1 0 363.439 2.500 20 5 FFBDRO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)cccc1[N+](=O)[O-] ZINC000451428944 513746250 /nfs/dbraw/zinc/74/62/50/513746250.db2.gz WVRSOEDPENAZCP-LBTBCDHLSA-N 1 0 361.442 2.856 20 5 FFBDRO CCO[C@H]1C[C@H]([NH2+]CCOc2ccc(OC)cc2[N+](=O)[O-])C12CCC2 ZINC000451472289 513770689 /nfs/dbraw/zinc/77/06/89/513770689.db2.gz KFAKCNLSLITKTO-IRXDYDNUSA-N 1 0 350.415 2.920 20 5 FFBDRO CCO[C@@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C[C@@H]1C ZINC000451540412 513819091 /nfs/dbraw/zinc/81/90/91/513819091.db2.gz KWARWSLLMSQAOD-XJKSGUPXSA-N 1 0 365.430 2.679 20 5 FFBDRO C[NH+](C)CCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])s2)c(F)c1 ZINC000413904518 513873292 /nfs/dbraw/zinc/87/32/92/513873292.db2.gz UDKGPZVDWITJQH-UHFFFAOYSA-N 1 0 353.375 2.988 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CC[C@@H]4C[C@@H](O)CC[C@@H]4C3)n2)cc1 ZINC000451693427 513916003 /nfs/dbraw/zinc/91/60/03/513916003.db2.gz IDGSTGGVZILEOE-FMKPAKJESA-N 1 0 358.398 2.628 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H]2C[C@@H](O)CC[C@H]2C1 ZINC000451697803 513918042 /nfs/dbraw/zinc/91/80/42/513918042.db2.gz ROXAARLVRRTFOP-VYDXJSESSA-N 1 0 361.442 2.715 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H]2C[C@@H](O)CC[C@H]2C1 ZINC000451700293 513921586 /nfs/dbraw/zinc/92/15/86/513921586.db2.gz XFOMSUUMSISDSV-VYDXJSESSA-N 1 0 361.442 2.715 20 5 FFBDRO O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)N1CCC([NH+]2CCCC2)CC1 ZINC000448886347 513953044 /nfs/dbraw/zinc/95/30/44/513953044.db2.gz OUCDCMOHLDMQPW-UHFFFAOYSA-N 1 0 369.425 2.685 20 5 FFBDRO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000451775301 513974116 /nfs/dbraw/zinc/97/41/16/513974116.db2.gz QJICRSRAKALZID-ZBFHGGJFSA-N 1 0 363.414 2.553 20 5 FFBDRO CCOc1ccc([C@H](C)[NH2+]CC2(CS(C)(=O)=O)CCC2)cc1[N+](=O)[O-] ZINC000414329625 514050133 /nfs/dbraw/zinc/05/01/33/514050133.db2.gz OUWGOFXSFPJGKY-ZDUSSCGKSA-N 1 0 370.471 2.859 20 5 FFBDRO O=C(c1ccccc1)c1ccc(N2CC[C@H]3C[NH2+]C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000420259925 514063233 /nfs/dbraw/zinc/06/32/33/514063233.db2.gz NCSPFDNWPJTBGY-DLBZAZTESA-N 1 0 351.406 2.872 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCCN(c2cc(C)nn2C)C1 ZINC000444005877 514097498 /nfs/dbraw/zinc/09/74/98/514097498.db2.gz UGDVELKDLLKIQI-MRXNPFEDSA-N 1 0 373.457 2.794 20 5 FFBDRO CC(C)[C@@H]([NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])c1nc(-c2nc[nH]n2)no1 ZINC000449197261 514109188 /nfs/dbraw/zinc/10/91/88/514109188.db2.gz YNWOLZQHJBXJNN-BXUZGUMPSA-N 1 0 371.401 2.681 20 5 FFBDRO COc1cc(CN[C@@H]2[C@@H](C)CC[NH2+][C@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000420371953 514114016 /nfs/dbraw/zinc/11/40/16/514114016.db2.gz PXAZAWQHFDXZJY-AMJWSMQMSA-N 1 0 359.373 2.681 20 5 FFBDRO COC(=O)[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)C[C@@H]1c1ccccc1 ZINC000451995122 514120707 /nfs/dbraw/zinc/12/07/07/514120707.db2.gz MYZKLHVLLYCHNQ-MSOLQXFVSA-N 1 0 370.405 2.992 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccc(N2CCOCC2)n1 ZINC000449259005 514132939 /nfs/dbraw/zinc/13/29/39/514132939.db2.gz RYKKJPAAZBXRGE-HNNXBMFYSA-N 1 0 356.426 2.547 20 5 FFBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000423466161 514147714 /nfs/dbraw/zinc/14/77/14/514147714.db2.gz YGGIGHQJBSWIIU-LBPRGKRZSA-N 1 0 355.847 2.693 20 5 FFBDRO C[N@@H+]1CCCC[C@@H]1CN1CCN(c2ccnc3c2cccc3[N+](=O)[O-])CC1 ZINC000432319860 514158178 /nfs/dbraw/zinc/15/81/78/514158178.db2.gz JLNFEFOZHVXNJB-MRXNPFEDSA-N 1 0 369.469 2.749 20 5 FFBDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000423561884 514170424 /nfs/dbraw/zinc/17/04/24/514170424.db2.gz WEMMWRVAPWACQJ-BZNIZROVSA-N 1 0 353.397 2.548 20 5 FFBDRO C[C@@H](NC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000417143736 514191621 /nfs/dbraw/zinc/19/16/21/514191621.db2.gz UWJYZTXQKNGOBG-JEBQAFNWSA-N 1 0 354.410 2.711 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2[NH2+]CCc3ccccc32)c1 ZINC000423682408 514199360 /nfs/dbraw/zinc/19/93/60/514199360.db2.gz VWPASGJHVPYZEI-KRWDZBQOSA-N 1 0 355.394 2.610 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N[C@H]3CC[NH2+]C[C@H]3C)cc2[N+](=O)[O-])C1 ZINC000432515634 514214583 /nfs/dbraw/zinc/21/45/83/514214583.db2.gz UAOVDOKHNZJNSW-FMKPAKJESA-N 1 0 360.458 2.559 20 5 FFBDRO Cn1cc([C@H]2C[N@H+](Cc3csc([N+](=O)[O-])c3)CC23CCOCC3)cn1 ZINC000449464184 514220195 /nfs/dbraw/zinc/22/01/95/514220195.db2.gz XXFGMCVRJLFQBH-OAHLLOKOSA-N 1 0 362.455 2.786 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000414657753 514225491 /nfs/dbraw/zinc/22/54/91/514225491.db2.gz PDIYRFLPUYHHAC-CJNGLKHVSA-N 1 0 362.430 2.989 20 5 FFBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000417221317 514242035 /nfs/dbraw/zinc/24/20/35/514242035.db2.gz CWFIFUIWNOTYFL-SJLPKXTDSA-N 1 0 360.458 2.701 20 5 FFBDRO CC[C@@H]([NH2+]Cc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-])[C@H](C)O ZINC000449537618 514247165 /nfs/dbraw/zinc/24/71/65/514247165.db2.gz GFNHBMDQTIBPAX-GXSJLCMTSA-N 1 0 366.336 2.794 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000449640400 514276804 /nfs/dbraw/zinc/27/68/04/514276804.db2.gz AYYGAZLVJIPSTN-LOWVWBTDSA-N 1 0 355.822 2.649 20 5 FFBDRO CCOc1cc(NC(=O)NC2(C[NH3+])CCCC2)c([N+](=O)[O-])cc1OCC ZINC000414761562 514278564 /nfs/dbraw/zinc/27/85/64/514278564.db2.gz UDCSMIWEBSSWMY-UHFFFAOYSA-N 1 0 366.418 2.785 20 5 FFBDRO [NH3+][C@@H]1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000449647886 514280176 /nfs/dbraw/zinc/28/01/76/514280176.db2.gz PZJHRGYSLOIBIX-VHSXEESVSA-N 1 0 356.220 2.605 20 5 FFBDRO COc1cc(CN2C[C@H]3CCC[C@@H](C2)[NH2+]3)c([N+](=O)[O-])cc1OCC(F)F ZINC000438027792 514291806 /nfs/dbraw/zinc/29/18/06/514291806.db2.gz LYNKZNJTCHNERJ-BETUJISGSA-N 1 0 371.384 2.574 20 5 FFBDRO Cc1nn(Cc2ccc(C(=O)N[C@@H](C[NH3+])C(C)(C)C)cc2)c(C)c1[N+](=O)[O-] ZINC000423950743 514303645 /nfs/dbraw/zinc/30/36/45/514303645.db2.gz IWGDHWLDSUDTCS-INIZCTEOSA-N 1 0 373.457 2.560 20 5 FFBDRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000449699456 514311839 /nfs/dbraw/zinc/31/18/39/514311839.db2.gz QWPCGHOUYVUFKC-AWEZNQCLSA-N 1 0 360.439 2.836 20 5 FFBDRO COC(=O)c1cc(C(=O)N[C@@H](CCC[NH3+])c2ccccc2)cc([N+](=O)[O-])c1 ZINC000423972516 514316129 /nfs/dbraw/zinc/31/61/29/514316129.db2.gz PJEDBGVUJGXGKR-KRWDZBQOSA-N 1 0 371.393 2.591 20 5 FFBDRO [NH3+][C@H]1CCO[C@@H](C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)CC2)C1 ZINC000424003936 514334273 /nfs/dbraw/zinc/33/42/73/514334273.db2.gz ALSFKFBFAZOHHM-BLLLJJGKSA-N 1 0 367.833 2.607 20 5 FFBDRO COc1ccc([C@H]2CC[NH2+]C[C@H]2NCc2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000414884968 514340797 /nfs/dbraw/zinc/34/07/97/514340797.db2.gz OTHCGPRAXODBEB-QZTJIDSGSA-N 1 0 371.437 2.847 20 5 FFBDRO COc1cc(CN[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000414893822 514345706 /nfs/dbraw/zinc/34/57/06/514345706.db2.gz ZOHAQWDGVQXVSV-MRXNPFEDSA-N 1 0 357.410 2.634 20 5 FFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000424034766 514350184 /nfs/dbraw/zinc/35/01/84/514350184.db2.gz BQWJEUYPOZGAMG-QGZVFWFLSA-N 1 0 361.442 2.844 20 5 FFBDRO CCc1ccc([C@H]([NH2+]C[C@]2(O)CCO[C@H]2C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000433014116 514351188 /nfs/dbraw/zinc/35/11/88/514351188.db2.gz QWMGUBCKMYQJMI-MJXNMMHHSA-N 1 0 360.410 2.969 20 5 FFBDRO Cc1cc(NC(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000433069157 514370692 /nfs/dbraw/zinc/37/06/92/514370692.db2.gz BZGKXUTZYOSOBJ-CQSZACIVSA-N 1 0 350.419 2.526 20 5 FFBDRO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000414957550 514376573 /nfs/dbraw/zinc/37/65/73/514376573.db2.gz WAGJMCHFVFWIHB-NWDGAFQWSA-N 1 0 370.356 2.706 20 5 FFBDRO [NH3+][C@@H](CCC(=O)N1CCc2ncc([N+](=O)[O-])cc2C1)CC1CCCCC1 ZINC000424169283 514405313 /nfs/dbraw/zinc/40/53/13/514405313.db2.gz JMOWKVCJOKGMDX-INIZCTEOSA-N 1 0 360.458 2.952 20 5 FFBDRO COCC[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H]1CCCSC1 ZINC000433201650 514420258 /nfs/dbraw/zinc/42/02/58/514420258.db2.gz MVPWFIYKPHDPDR-OAHLLOKOSA-N 1 0 368.455 2.805 20 5 FFBDRO [NH3+][C@H]1CCCO[C@H]1C1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000415110043 514446481 /nfs/dbraw/zinc/44/64/81/514446481.db2.gz OSTYUHPAVWCGAV-IRXDYDNUSA-N 1 0 353.850 2.967 20 5 FFBDRO [NH3+][C@H]1CCO[C@H](C2CCN(Cc3ccc([N+](=O)[O-])cc3Cl)CC2)C1 ZINC000415119912 514451291 /nfs/dbraw/zinc/45/12/91/514451291.db2.gz FUJZHZVBNZPSIS-YOEHRIQHSA-N 1 0 353.850 2.967 20 5 FFBDRO CC(C)c1ccc(CN2CCC[C@@H](n3cc(C[NH3+])nn3)C2)cc1[N+](=O)[O-] ZINC000415132313 514459271 /nfs/dbraw/zinc/45/92/71/514459271.db2.gz TYXAOZQBZQNQDA-MRXNPFEDSA-N 1 0 358.446 2.606 20 5 FFBDRO CCOC(=O)c1cc(-c2nc(C3([NH3+])CCCCC3)no2)cc([N+](=O)[O-])c1 ZINC000424339975 514459495 /nfs/dbraw/zinc/45/94/95/514459495.db2.gz FRYVINDEGGEZIM-UHFFFAOYSA-N 1 0 360.370 2.940 20 5 FFBDRO O=C1C[C@H]([N@@H+]2CCCC3(CCCC3)C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000445480710 514486145 /nfs/dbraw/zinc/48/61/45/514486145.db2.gz ISWVCRREBFMLAR-INIZCTEOSA-N 1 0 357.410 2.883 20 5 FFBDRO Cc1cc(C(=O)Nc2cccc(C[N@@H+]3CC[C@H](O)C3)c2)cc([N+](=O)[O-])c1 ZINC000428535103 514492110 /nfs/dbraw/zinc/49/21/10/514492110.db2.gz JGBDVPJEGFZKDD-SFHVURJKSA-N 1 0 355.394 2.722 20 5 FFBDRO COc1ccc([C@@H](CNc2ncc([N+](=O)[O-])c(C)n2)[NH+]2CCCC2)cc1 ZINC000450212563 514543848 /nfs/dbraw/zinc/54/38/48/514543848.db2.gz DFITVEDAMGCZQB-QGZVFWFLSA-N 1 0 357.414 2.951 20 5 FFBDRO Cc1ccc(S(=O)(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000470615180 514550116 /nfs/dbraw/zinc/55/01/16/514550116.db2.gz USRMEGASIZINGR-ZNMIVQPWSA-N 1 0 369.487 2.548 20 5 FFBDRO CCOC(=O)[C@@]1(COC)CCC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000439474915 514560285 /nfs/dbraw/zinc/56/02/85/514560285.db2.gz XVLOCNLZUAEBPU-KSSFIOAISA-N 1 0 350.415 2.948 20 5 FFBDRO CN(C(=O)Cc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475315400 514616382 /nfs/dbraw/zinc/61/63/82/514616382.db2.gz XBYYLFOAOAOFBX-IBGZPJMESA-N 1 0 353.422 2.870 20 5 FFBDRO Cn1ccnc1[C@H](NCCCC[N@H+](C)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000453387063 514618294 /nfs/dbraw/zinc/61/82/94/514618294.db2.gz ATUDIZWPNXCLGL-GOSISDBHSA-N 1 0 357.458 2.882 20 5 FFBDRO C[NH+](C)C[C@H](NC(=O)CNc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000488910366 514631060 /nfs/dbraw/zinc/63/10/60/514631060.db2.gz KWHDERQDALPAMA-INIZCTEOSA-N 1 0 360.389 2.565 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000458218790 514638330 /nfs/dbraw/zinc/63/83/30/514638330.db2.gz HMNPSWXURAUOEY-UHFFFAOYSA-N 1 0 363.439 2.869 20 5 FFBDRO CCN(CCC[NH+](C)C)C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000470850814 514639836 /nfs/dbraw/zinc/63/98/36/514639836.db2.gz HQCSRMKRMHOBAO-UHFFFAOYSA-N 1 0 357.838 2.817 20 5 FFBDRO CC[NH+](CC)Cc1cccc(CNc2ccc3ncc([N+](=O)[O-])n3n2)c1 ZINC000502409302 514640384 /nfs/dbraw/zinc/64/03/84/514640384.db2.gz ZVDGCOIANVNCOQ-UHFFFAOYSA-N 1 0 354.414 2.513 20 5 FFBDRO COc1ccc([C@H](C)C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)cc1 ZINC000453575665 514695543 /nfs/dbraw/zinc/69/55/43/514695543.db2.gz LCCJMJCHXJGVMC-OAHLLOKOSA-N 1 0 356.426 2.924 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H]1CCCC[C@H]1OC(F)F ZINC000502580821 514705857 /nfs/dbraw/zinc/70/58/57/514705857.db2.gz VETGBFYTFCZADE-TZMCWYRMSA-N 1 0 357.357 2.982 20 5 FFBDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1c1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000484642770 514726002 /nfs/dbraw/zinc/72/60/02/514726002.db2.gz VRBSXXNQACPRGS-HNNXBMFYSA-N 1 0 368.437 2.795 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H]1CCCC[C@H]1n1cccn1 ZINC000484653710 514733282 /nfs/dbraw/zinc/73/32/82/514733282.db2.gz QUPWCFCCCXLBAX-LSDHHAIUSA-N 1 0 357.414 2.812 20 5 FFBDRO CCC1(CC)[C@H]([NH2+][C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H]1OC ZINC000479892747 514762139 /nfs/dbraw/zinc/76/21/39/514762139.db2.gz VFBYXVOEUGXDLD-BRWVUGGUSA-N 1 0 361.442 2.883 20 5 FFBDRO COC(=O)COc1ccc(C[N@@H+]2CCCC[C@@H](SC)C2)cc1[N+](=O)[O-] ZINC000475707023 514770651 /nfs/dbraw/zinc/77/06/51/514770651.db2.gz XOMYWZSVFOGZOD-CQSZACIVSA-N 1 0 368.455 2.864 20 5 FFBDRO C[NH+]1CCC(C)(CNC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000508433813 514778143 /nfs/dbraw/zinc/77/81/43/514778143.db2.gz WLMZRLVVMKZLOU-UHFFFAOYSA-N 1 0 362.474 2.949 20 5 FFBDRO Cn1cnc([N+](=O)[O-])c1CN1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000475755475 514795698 /nfs/dbraw/zinc/79/56/98/514795698.db2.gz YDWCSIBTRKGEFK-UHFFFAOYSA-N 1 0 365.437 2.799 20 5 FFBDRO COc1ccccc1[C@@H](CNC(=O)c1ccc([N+](=O)[O-])[nH]1)[NH+]1CCCCC1 ZINC000489486297 514865772 /nfs/dbraw/zinc/86/57/72/514865772.db2.gz RLSHDWDUKCTHIJ-MRXNPFEDSA-N 1 0 372.425 2.889 20 5 FFBDRO CC[N@@H+]1C[C@H](C)N(C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000467222030 514944593 /nfs/dbraw/zinc/94/45/93/514944593.db2.gz GMIDNMPSLNUMNG-RYUDHWBXSA-N 1 0 354.838 2.872 20 5 FFBDRO COC[C@H]1CCCC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000467321792 514978167 /nfs/dbraw/zinc/97/81/67/514978167.db2.gz PMYNXCCUMJALGZ-AWEZNQCLSA-N 1 0 363.414 2.641 20 5 FFBDRO O=[N+]([O-])c1cccc2ncnc(NC[C@H]3CC[N@H+](Cc4ccccc4)C3)c21 ZINC000480506439 514981177 /nfs/dbraw/zinc/98/11/77/514981177.db2.gz OJQUMCSISVCBOB-MRXNPFEDSA-N 1 0 363.421 2.894 20 5 FFBDRO COc1cc(C[NH2+][C@H]2CC[C@H](OC)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000471796198 515013381 /nfs/dbraw/zinc/01/33/81/515013381.db2.gz CQGWVTAACZNJER-RYUDHWBXSA-N 1 0 360.357 2.904 20 5 FFBDRO CCOC(=O)[C@]1(COC)CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000467550444 515046183 /nfs/dbraw/zinc/04/61/83/515046183.db2.gz KKANYAXBAPSRSZ-MBNRZODZSA-N 1 0 362.426 2.900 20 5 FFBDRO COc1c(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000476474785 515063284 /nfs/dbraw/zinc/06/32/84/515063284.db2.gz ZWGNJUUNZLUDNM-NVXWUHKLSA-N 1 0 355.394 2.779 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCC(C)(C)C[NH+]2CCCC2)cc1C ZINC000480754291 515071839 /nfs/dbraw/zinc/07/18/39/515071839.db2.gz DCEBQOANDIRKGX-UHFFFAOYSA-N 1 0 369.487 2.612 20 5 FFBDRO C[NH+](C)CCOCCNc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000498907441 515111669 /nfs/dbraw/zinc/11/16/69/515111669.db2.gz NBFKTIGNPFWBMR-UHFFFAOYSA-N 1 0 357.410 2.816 20 5 FFBDRO CCOC(=O)c1cc(NC[C@]2([NH+](C)C)CCSC2)ccc1[N+](=O)[O-] ZINC000467795823 515122625 /nfs/dbraw/zinc/12/26/25/515122625.db2.gz DBRGCKZWMWBQNS-MRXNPFEDSA-N 1 0 353.444 2.621 20 5 FFBDRO COc1cc(CN2CC[NH+](CCc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000485766997 515176103 /nfs/dbraw/zinc/17/61/03/515176103.db2.gz QGVQEPNUQQIIEZ-UHFFFAOYSA-N 1 0 355.438 2.964 20 5 FFBDRO CCCC[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])C(=O)Nc1cc(C)on1 ZINC000467979261 515185588 /nfs/dbraw/zinc/18/55/88/515185588.db2.gz LBDUAKVWXQISCH-HNNXBMFYSA-N 1 0 360.414 2.643 20 5 FFBDRO CC[C@H](C)[NH+]1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000456519376 515232013 /nfs/dbraw/zinc/23/20/13/515232013.db2.gz AGPISQOWFKRZQW-NSHDSACASA-N 1 0 370.247 2.914 20 5 FFBDRO Cn1c(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)ccc1[N+](=O)[O-] ZINC000499515435 515354444 /nfs/dbraw/zinc/35/44/44/515354444.db2.gz WSJYNIQUMRMKDB-UHFFFAOYSA-N 1 0 362.455 2.637 20 5 FFBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000468468298 515371863 /nfs/dbraw/zinc/37/18/63/515371863.db2.gz QAINQNCICTYZPL-QGZVFWFLSA-N 1 0 371.441 2.631 20 5 FFBDRO O=[N+]([O-])c1ccccc1-c1ccc(CN2CCN([C@H]3CC[NH2+]C3)CC2)s1 ZINC000491207582 515397775 /nfs/dbraw/zinc/39/77/75/515397775.db2.gz YTXJAROTIGQDHH-HNNXBMFYSA-N 1 0 372.494 2.803 20 5 FFBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000499724389 515428405 /nfs/dbraw/zinc/42/84/05/515428405.db2.gz RLDXMNBQZNKADM-MRXNPFEDSA-N 1 0 371.441 2.775 20 5 FFBDRO CCOC(=O)C[C@](C)([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000481707883 515433237 /nfs/dbraw/zinc/43/32/37/515433237.db2.gz QTRPNAONAHOWOA-SFHVURJKSA-N 1 0 365.430 2.515 20 5 FFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC(=O)NCCc1ccccc1 ZINC000468654167 515453884 /nfs/dbraw/zinc/45/38/84/515453884.db2.gz UJRWRWABOJCQMG-FOWTUZBSSA-N 1 0 353.422 2.947 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000491890194 515480728 /nfs/dbraw/zinc/48/07/28/515480728.db2.gz KGMNWBWRNGPQBP-DQYPLSBCSA-N 1 0 353.850 2.932 20 5 FFBDRO COc1cccc([C@@H]2[C@@H](NC(=O)c3cc([N+](=O)[O-])c[nH]3)CC[N@@H+]2C2CC2)c1 ZINC000481941350 515521052 /nfs/dbraw/zinc/52/10/52/515521052.db2.gz HPVRDGKCELLSKB-FUHWJXTLSA-N 1 0 370.409 2.639 20 5 FFBDRO Cc1c(Br)cc(C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000510443604 515542784 /nfs/dbraw/zinc/54/27/84/515542784.db2.gz OQVWYEKAOYPNME-CABZTGNLSA-N 1 0 370.247 2.878 20 5 FFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCO[C@@H]1c1cccnc1 ZINC000492876407 515573058 /nfs/dbraw/zinc/57/30/58/515573058.db2.gz QHTAQFUKPHQPCI-SOVGHPHASA-N 1 0 370.409 2.827 20 5 FFBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC000510541904 515577692 /nfs/dbraw/zinc/57/76/92/515577692.db2.gz VOLBAZBSTUYZLL-KUHUBIRLSA-N 1 0 373.457 2.606 20 5 FFBDRO Cc1ccccc1[C@H]([C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1N)[NH+](C)C ZINC000510551404 515583318 /nfs/dbraw/zinc/58/33/18/515583318.db2.gz UFQSAZAHUYMYGQ-UGSOOPFHSA-N 1 0 356.426 2.907 20 5 FFBDRO Cc1cc(N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000486670461 515588176 /nfs/dbraw/zinc/58/81/76/515588176.db2.gz KLWVJWZQFLADNW-PBHICJAKSA-N 1 0 353.426 2.891 20 5 FFBDRO CC[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000500103103 515590538 /nfs/dbraw/zinc/59/05/38/515590538.db2.gz QMGUTZWQAWCWCI-HNNXBMFYSA-N 1 0 369.487 2.754 20 5 FFBDRO CN(CC(=O)N1CCC(CCC[NH+](C)C)CC1)c1ccccc1[N+](=O)[O-] ZINC000500164197 515612182 /nfs/dbraw/zinc/61/21/82/515612182.db2.gz VUXWRJPKDALQLL-UHFFFAOYSA-N 1 0 362.474 2.611 20 5 FFBDRO COc1cc(CN2C[C@H](C)[N@H+](C)C[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000505627286 515614708 /nfs/dbraw/zinc/61/47/08/515614708.db2.gz BXKANRXTAPVJIS-RYUDHWBXSA-N 1 0 373.400 2.772 20 5 FFBDRO COc1cc(C[NH2+]C[C@H]2CCC[C@H](O)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000493600448 515645836 /nfs/dbraw/zinc/64/58/36/515645836.db2.gz CPUPONBGYZVQRX-AAEUAGOBSA-N 1 0 374.384 2.888 20 5 FFBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000457116059 515662065 /nfs/dbraw/zinc/66/20/65/515662065.db2.gz LERVPYZZXYSYLH-OCCSQVGLSA-N 1 0 369.849 2.957 20 5 FFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCCc2nn(C)cc21 ZINC000511004251 515742885 /nfs/dbraw/zinc/74/28/85/515742885.db2.gz YXJYLRBUFDCBPD-MLGOLLRUSA-N 1 0 357.414 2.713 20 5 FFBDRO COC(=O)c1cnc(NC[C@H](C(C)C)[NH+]2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000478252315 515754150 /nfs/dbraw/zinc/75/41/50/515754150.db2.gz FOJMWWMJGUVETA-MRXNPFEDSA-N 1 0 364.446 2.945 20 5 FFBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@H](C)C(=O)OC(C)(C)C ZINC000459812634 515823943 /nfs/dbraw/zinc/82/39/43/515823943.db2.gz RZHREPVHYGZXIU-QWHCGFSZSA-N 1 0 365.430 2.831 20 5 FFBDRO COc1ccc(C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000457358368 515827062 /nfs/dbraw/zinc/82/70/62/515827062.db2.gz BARGERCQMBARMJ-HOTGVXAUSA-N 1 0 373.384 2.700 20 5 FFBDRO CCc1ccc(C(=O)N[C@@H]2C[N@H+](C)C[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000478457096 515830481 /nfs/dbraw/zinc/83/04/81/515830481.db2.gz IQWXTQIZCYNAHW-QZTJIDSGSA-N 1 0 353.422 2.985 20 5 FFBDRO Cc1c(CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000478456914 515830579 /nfs/dbraw/zinc/83/05/79/515830579.db2.gz IZPZFAAFQDTHJS-SFHVURJKSA-N 1 0 368.437 2.977 20 5 FFBDRO CC[C@H]([NH2+]C1CCN(CCC(=O)N(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000482874600 515831882 /nfs/dbraw/zinc/83/18/82/515831882.db2.gz ORSFXRXNEOEISX-SFHVURJKSA-N 1 0 362.474 2.578 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+][C@@H](c2cccnc2)C2CC2)cc1[N+](=O)[O-] ZINC000474018454 515843872 /nfs/dbraw/zinc/84/38/72/515843872.db2.gz FHBFZCQRUJOOLW-LJQANCHMSA-N 1 0 371.393 2.783 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+][C@@H](C)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000474025137 515848463 /nfs/dbraw/zinc/84/84/63/515848463.db2.gz WXOXSHYZMORYNY-VIFPVBQESA-N 1 0 350.293 2.577 20 5 FFBDRO Cc1ccsc1[C@@H](CO)[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000494644840 515907240 /nfs/dbraw/zinc/90/72/40/515907240.db2.gz FAKJRKAXUSRPII-OAHLLOKOSA-N 1 0 363.439 2.925 20 5 FFBDRO COc1cc(C[NH2+][C@@H]2CCN(C3CC3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000494696288 515930191 /nfs/dbraw/zinc/93/01/91/515930191.db2.gz GPMBCBWWIJXOCD-GFCCVEGCSA-N 1 0 371.384 2.574 20 5 FFBDRO Cc1c(CNC(=O)NCC[N@@H+](C)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000478808563 515971331 /nfs/dbraw/zinc/97/13/31/515971331.db2.gz AJTZCXXJAMCKEG-UHFFFAOYSA-N 1 0 356.426 2.834 20 5 FFBDRO CNc1nc(C(=O)N2CCC[C@H]([NH+]3[C@@H](C)CC[C@@H]3C)C2)ccc1[N+](=O)[O-] ZINC000455215789 516046643 /nfs/dbraw/zinc/04/66/43/516046643.db2.gz WGIWGPBHEUJMQR-IHRRRGAJSA-N 1 0 361.446 2.509 20 5 FFBDRO CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC000460215059 516070073 /nfs/dbraw/zinc/07/00/73/516070073.db2.gz PXTNQDGXPKFQNH-ZIAGYGMSSA-N 1 0 358.446 2.792 20 5 FFBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000511901076 516073922 /nfs/dbraw/zinc/07/39/22/516073922.db2.gz FZDSUKWQMMFINP-SFHVURJKSA-N 1 0 360.458 2.796 20 5 FFBDRO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000470152531 516147528 /nfs/dbraw/zinc/14/75/28/516147528.db2.gz NJMZDIUJHQDUSU-WRSAYESZSA-N 1 0 355.394 2.941 20 5 FFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](CCC(F)(F)F)C[C@H](O)CO ZINC000470182135 516165922 /nfs/dbraw/zinc/16/59/22/516165922.db2.gz IWNXXVSXZIYLHR-BLMSOEDDSA-N 1 0 362.348 2.606 20 5 FFBDRO C[C@@H]1CN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C[N@@H+]1C ZINC000512147835 516173470 /nfs/dbraw/zinc/17/34/70/516173470.db2.gz VJSLXMYJUPBDTD-NEPJUHHUSA-N 1 0 355.822 2.568 20 5 FFBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000488475659 516234554 /nfs/dbraw/zinc/23/45/54/516234554.db2.gz JRGBBCHHLSPYIU-GOEBONIOSA-N 1 0 356.426 2.574 20 5 FFBDRO C[NH+](C)CCN(Cc1ccccc1F)C(=O)c1csc([N+](=O)[O-])c1 ZINC000496346247 516254626 /nfs/dbraw/zinc/25/46/26/516254626.db2.gz XXKHIOVNENQBMI-UHFFFAOYSA-N 1 0 351.403 2.999 20 5 FFBDRO CCCN(CC[NH+]1CCCC1)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000512456055 516285213 /nfs/dbraw/zinc/28/52/13/516285213.db2.gz KFCSQWCCJOWLHH-UHFFFAOYSA-N 1 0 359.430 2.953 20 5 FFBDRO CC(C)NC(=O)c1ccc(N2CC[N@@H+]([C@H]3C[C@H]3C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000488716165 516293249 /nfs/dbraw/zinc/29/32/49/516293249.db2.gz QYQXYXXDHYYAHS-RKVPGOIHSA-N 1 0 374.485 2.900 20 5 FFBDRO CSC1(CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC[NH+](C)CC1 ZINC000460978759 516295844 /nfs/dbraw/zinc/29/58/44/516295844.db2.gz KDQCKTGRUUOIPT-UHFFFAOYSA-N 1 0 362.455 2.633 20 5 FFBDRO C[C@H](NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000484135243 516302479 /nfs/dbraw/zinc/30/24/79/516302479.db2.gz QXUMMAZSEFIAAK-JXFKEZNVSA-N 1 0 355.438 2.882 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H]2CCCOc3ccccc32)c1 ZINC000517556133 516362227 /nfs/dbraw/zinc/36/22/27/516362227.db2.gz GIICCSCZBRPECL-QAPCUYQASA-N 1 0 358.394 2.838 20 5 FFBDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000539986708 516390157 /nfs/dbraw/zinc/39/01/57/516390157.db2.gz VOVLYCNUXUBBCE-UHFFFAOYSA-N 1 0 357.414 2.697 20 5 FFBDRO C[C@H]([NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C1(S(C)(=O)=O)CC1 ZINC000512893357 516402749 /nfs/dbraw/zinc/40/27/49/516402749.db2.gz CAMIURZTMKNENH-LBPRGKRZSA-N 1 0 364.423 2.910 20 5 FFBDRO C[N@@H+]1CCN(c2nc3sccn3c2[N+](=O)[O-])C[C@H]1Cc1ccccc1 ZINC000557741860 516413669 /nfs/dbraw/zinc/41/36/69/516413669.db2.gz VXDYDXIJIDHLPU-CQSZACIVSA-N 1 0 357.439 2.667 20 5 FFBDRO CCc1nnc(NC(=O)[C@@H](C)[C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2)s1 ZINC000513074481 516462719 /nfs/dbraw/zinc/46/27/19/516462719.db2.gz HHIDDVNAGSHFIV-QWRGUYRKSA-N 1 0 363.443 2.762 20 5 FFBDRO CCc1nnc(NC(=O)[C@@H](C)[C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)s1 ZINC000513106082 516475344 /nfs/dbraw/zinc/47/53/44/516475344.db2.gz GOMYFCLDJKUZOK-WDEREUQCSA-N 1 0 363.443 2.762 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000543903478 516491500 /nfs/dbraw/zinc/49/15/00/516491500.db2.gz ICUXCKCXMLMMFN-ZIAGYGMSSA-N 1 0 365.430 2.683 20 5 FFBDRO O=[N+]([O-])c1ccc2c(ccnc2N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)c1 ZINC000518310325 516608537 /nfs/dbraw/zinc/60/85/37/516608537.db2.gz GFLONWNHGDUULN-MSOLQXFVSA-N 1 0 356.426 2.620 20 5 FFBDRO O=C1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CN1[C@@H]1C[C@H]1c1ccccc1 ZINC000540617965 516643894 /nfs/dbraw/zinc/64/38/94/516643894.db2.gz FCUBNQUQKQYCLA-JENIJYKNSA-N 1 0 351.406 2.841 20 5 FFBDRO COC(C)(C)C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000554971467 516726016 /nfs/dbraw/zinc/72/60/16/516726016.db2.gz NGAMKXWAZKUJJN-UHFFFAOYSA-N 1 0 364.183 2.714 20 5 FFBDRO C[C@@H](CNc1ncnc2cccc([N+](=O)[O-])c21)[N@H+](C)Cc1ccccc1 ZINC000544395651 516740947 /nfs/dbraw/zinc/74/09/47/516740947.db2.gz GXILYSQMTYGYGR-AWEZNQCLSA-N 1 0 351.410 2.892 20 5 FFBDRO CS(=O)(=O)[C@H]1CCCC[C@H]1[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000561782534 516771770 /nfs/dbraw/zinc/77/17/70/516771770.db2.gz NTOSQIOTRGVFSR-SJORKVTESA-N 1 0 365.455 2.564 20 5 FFBDRO C[C@@H]1CCC[C@@](CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)([NH+](C)C)C1 ZINC000518810957 516784572 /nfs/dbraw/zinc/78/45/72/516784572.db2.gz IRZJEPYJEUGTHS-KZULUSFZSA-N 1 0 359.430 2.711 20 5 FFBDRO CC[NH+]1CCC(N(C)C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CC1 ZINC000541028545 516838109 /nfs/dbraw/zinc/83/81/09/516838109.db2.gz BIFWFSCAIKUARZ-UHFFFAOYSA-N 1 0 357.357 2.753 20 5 FFBDRO C[C@H](CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)[N@@H+]1CCCC[C@@H]1C ZINC000519098925 516884170 /nfs/dbraw/zinc/88/41/70/516884170.db2.gz AMUZZHSQNJOKRY-LSDHHAIUSA-N 1 0 371.441 2.773 20 5 FFBDRO CN(C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000514225987 516912411 /nfs/dbraw/zinc/91/24/11/516912411.db2.gz FYDRUIHQMZTTBT-GFCCVEGCSA-N 1 0 355.341 2.505 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CCOc2ccc(Cl)cc2)c1 ZINC000551888159 516931736 /nfs/dbraw/zinc/93/17/36/516931736.db2.gz OFDDVKBDCCFNEZ-OAHLLOKOSA-N 1 0 366.801 2.657 20 5 FFBDRO O=C(Nc1cccc(C[NH+]2CCSCC2)c1)c1ccc([N+](=O)[O-])cn1 ZINC000532391503 516949109 /nfs/dbraw/zinc/94/91/09/516949109.db2.gz UGMQIEFNHQBSGF-UHFFFAOYSA-N 1 0 358.423 2.791 20 5 FFBDRO CC[N@H+]1C[C@@H](C)N(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)[C@@H](C)C1 ZINC000514755592 517040614 /nfs/dbraw/zinc/04/06/14/517040614.db2.gz WJARRPYTVWNYDP-IYBDPMFKSA-N 1 0 374.485 2.752 20 5 FFBDRO CC(C)c1nc(CC[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])cs1 ZINC000514788339 517056813 /nfs/dbraw/zinc/05/68/13/517056813.db2.gz IRPMABWEWQBMJS-AWEZNQCLSA-N 1 0 365.455 2.747 20 5 FFBDRO COC[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C(C)C ZINC000541592895 517127788 /nfs/dbraw/zinc/12/77/88/517127788.db2.gz HQDBIVUWVDKFMS-CYBMUJFWSA-N 1 0 374.235 2.556 20 5 FFBDRO CCC[NH+]1CCC(N[C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000552238128 517155534 /nfs/dbraw/zinc/15/55/34/517155534.db2.gz UXKSDZVHBTUAGJ-GOSISDBHSA-N 1 0 357.458 2.882 20 5 FFBDRO C[C@@H](C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])N1CCc2ccccc21 ZINC000548761189 517196847 /nfs/dbraw/zinc/19/68/47/517196847.db2.gz QBZMMAQYPGXPAV-HNNXBMFYSA-N 1 0 368.437 2.964 20 5 FFBDRO COc1ccccc1OCC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000548825492 517238766 /nfs/dbraw/zinc/23/87/66/517238766.db2.gz XZVCJQHGFBGYNL-UHFFFAOYSA-N 1 0 359.382 2.601 20 5 FFBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCC(C)(C)[NH+](C)C ZINC000559543920 517309750 /nfs/dbraw/zinc/30/97/50/517309750.db2.gz AKTUHJSXWBKDIJ-UHFFFAOYSA-N 1 0 358.236 2.736 20 5 FFBDRO CCN(CCC[NH+](C)C)C(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000526067398 517322959 /nfs/dbraw/zinc/32/29/59/517322959.db2.gz IBXYIXPDZYRSSX-LBPRGKRZSA-N 1 0 357.838 2.816 20 5 FFBDRO COc1ccc(C[NH+](C)C)cc1NC(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000515582126 517411239 /nfs/dbraw/zinc/41/12/39/517411239.db2.gz GZBYMKDHDKRLTI-UHFFFAOYSA-N 1 0 373.409 2.991 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)n1 ZINC000552961450 517455097 /nfs/dbraw/zinc/45/50/97/517455097.db2.gz CWTDJHOTTDVMHW-STQMWFEESA-N 1 0 350.419 2.556 20 5 FFBDRO C[C@@H](CNc1cccc(C(N)=O)c1[N+](=O)[O-])[N@@H+]1CCc2sccc2C1 ZINC000552973325 517460331 /nfs/dbraw/zinc/46/03/31/517460331.db2.gz RNWGMLUQKCKGEJ-NSHDSACASA-N 1 0 360.439 2.614 20 5 FFBDRO CCN(C(=O)c1c[nH]nc1[N+](=O)[O-])[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000549217822 517462465 /nfs/dbraw/zinc/46/24/65/517462465.db2.gz AAYSCILHEKFKBO-DZGCQCFKSA-N 1 0 357.414 2.616 20 5 FFBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000556521443 517476670 /nfs/dbraw/zinc/47/66/70/517476670.db2.gz WVKAUKSAYNDZNK-HOCLYGCPSA-N 1 0 361.398 2.536 20 5 FFBDRO COc1ccc(CNC(=O)NCCC[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000515828435 517487466 /nfs/dbraw/zinc/48/74/66/517487466.db2.gz PDNUBFVRRFMFIU-UHFFFAOYSA-N 1 0 364.446 2.525 20 5 FFBDRO Cn1cc([C@@H]([NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C(C)(C)C)cn1 ZINC000538278379 517536121 /nfs/dbraw/zinc/53/61/21/517536121.db2.gz VLYZMUDYZPDVRC-GOSISDBHSA-N 1 0 371.441 2.594 20 5 FFBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000542404963 517543385 /nfs/dbraw/zinc/54/33/85/517543385.db2.gz CQCAWXXSPBUPSW-MFKMUULPSA-N 1 0 369.874 2.939 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC(C)(C)N1CCC(OC)CC1 ZINC000520974005 517565809 /nfs/dbraw/zinc/56/58/09/517565809.db2.gz MSYGBEABVWUQSS-UHFFFAOYSA-N 1 0 365.474 2.973 20 5 FFBDRO CC(C)C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000563013503 517582925 /nfs/dbraw/zinc/58/29/25/517582925.db2.gz JKJWOEGHBUASDT-ARFHVFGLSA-N 1 0 352.431 2.518 20 5 FFBDRO O=[N+]([O-])c1ccccc1/C=C/CNC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000538414956 517610431 /nfs/dbraw/zinc/61/04/31/517610431.db2.gz SSXMFQFWWQCDGO-ISPXXFMDSA-N 1 0 367.449 2.835 20 5 FFBDRO Cc1nn(C)c(NCc2ccc(OCC[NH+]3CCCC3)cc2)c1[N+](=O)[O-] ZINC000521118839 517618748 /nfs/dbraw/zinc/61/87/48/517618748.db2.gz OUMAKADHUAQSGX-UHFFFAOYSA-N 1 0 359.430 2.723 20 5 FFBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000549574187 517623560 /nfs/dbraw/zinc/62/35/60/517623560.db2.gz PVYLYHPLSLOTDZ-UHFFFAOYSA-N 1 0 362.474 2.901 20 5 FFBDRO CC(C)[N@H+](C)CC1CCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC1 ZINC000553287556 517626197 /nfs/dbraw/zinc/62/61/97/517626197.db2.gz VXJNZBNFIFRETF-UHFFFAOYSA-N 1 0 359.430 2.800 20 5 FFBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(OCC)c(OC)cc1[N+](=O)[O-] ZINC000553351868 517661937 /nfs/dbraw/zinc/66/19/37/517661937.db2.gz GNENTJTZXIMANG-ZDUSSCGKSA-N 1 0 365.430 2.606 20 5 FFBDRO CNC(=O)[C@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)Cc1ccc(F)cc1C ZINC000563121585 517672700 /nfs/dbraw/zinc/67/27/00/517672700.db2.gz QFOABPAOXWRJJY-INIZCTEOSA-N 1 0 359.401 2.737 20 5 FFBDRO Cc1cc(C[NH+](C)C)cc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)c1 ZINC000533973425 517690530 /nfs/dbraw/zinc/69/05/30/517690530.db2.gz HLIAHWDQYWSVKB-UHFFFAOYSA-N 1 0 357.366 2.946 20 5 FFBDRO CCS[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000521426451 517724123 /nfs/dbraw/zinc/72/41/23/517724123.db2.gz BORVBGQPPFLEIQ-RBSFLKMASA-N 1 0 354.472 2.988 20 5 FFBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000516623379 517774065 /nfs/dbraw/zinc/77/40/65/517774065.db2.gz LMBOFUVLFJHPMG-SWLSCSKDSA-N 1 0 372.400 2.881 20 5 FFBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000542852608 517782189 /nfs/dbraw/zinc/78/21/89/517782189.db2.gz MCQDGQWDBBCHGQ-LBPRGKRZSA-N 1 0 371.384 2.904 20 5 FFBDRO CCOc1ccc(NC(=O)C[NH2+][C@H](CO)c2ccccc2C)c([N+](=O)[O-])c1 ZINC000542909621 517807433 /nfs/dbraw/zinc/80/74/33/517807433.db2.gz ASCBCBYJEYZQCZ-QGZVFWFLSA-N 1 0 373.409 2.564 20 5 FFBDRO C[C@H]1C[NH+](CCCCNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C[C@H](C)O1 ZINC000534256498 517807320 /nfs/dbraw/zinc/80/73/20/517807320.db2.gz QMAXMXOQPOXZSI-KBPBESRZSA-N 1 0 374.441 2.695 20 5 FFBDRO COC1CC[NH+](C(C)(C)CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000521682964 517826742 /nfs/dbraw/zinc/82/67/42/517826742.db2.gz LNKRLIYXRRNFGI-UHFFFAOYSA-N 1 0 369.849 2.867 20 5 FFBDRO COc1ccc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000542962142 517839224 /nfs/dbraw/zinc/83/92/24/517839224.db2.gz OFYQIUGISBLUBJ-MRXNPFEDSA-N 1 0 370.409 2.999 20 5 FFBDRO CC(C)Oc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])n2C)[NH+](C)C)cc1 ZINC000553670473 517841949 /nfs/dbraw/zinc/84/19/49/517841949.db2.gz JBSILCMMPXZXAH-KRWDZBQOSA-N 1 0 374.441 2.753 20 5 FFBDRO CC(C)Oc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])n2C)[NH+](C)C)cc1 ZINC000553670474 517842127 /nfs/dbraw/zinc/84/21/27/517842127.db2.gz JBSILCMMPXZXAH-QGZVFWFLSA-N 1 0 374.441 2.753 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH+]2CCC(Cc3cccnc3)CC2)c1 ZINC000538942855 517857796 /nfs/dbraw/zinc/85/77/96/517857796.db2.gz HONJKCSNKSHZAR-IBGZPJMESA-N 1 0 371.437 2.684 20 5 FFBDRO Cn1c(C(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000530590792 517867753 /nfs/dbraw/zinc/86/77/53/517867753.db2.gz UOKXCLOLGGXQBZ-AWEZNQCLSA-N 1 0 350.806 2.619 20 5 FFBDRO Cn1ccnc1[C@@H](NC[C@@H](O)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000560528901 517873747 /nfs/dbraw/zinc/87/37/47/517873747.db2.gz RUUHXWRGGFUDKH-MSOLQXFVSA-N 1 0 358.442 2.949 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC[C@@H]([NH+]3CCOCC3)CC2)c2ncccc12 ZINC000563423066 517896247 /nfs/dbraw/zinc/89/62/47/517896247.db2.gz JRDJVVZDFODUPC-OAHLLOKOSA-N 1 0 356.426 2.834 20 5 FFBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@@H](C)C1 ZINC000553783338 517901287 /nfs/dbraw/zinc/90/12/87/517901287.db2.gz OZMWPIGUTHHVIB-KSMMKXTCSA-N 1 0 370.453 2.807 20 5 FFBDRO C[C@H]1COc2ccccc2C[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000543188372 517955759 /nfs/dbraw/zinc/95/57/59/517955759.db2.gz YWZRDLKIFJWYCW-GOEBONIOSA-N 1 0 358.394 2.618 20 5 FFBDRO CC(C)C[C@@H](CN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000557393529 517988133 /nfs/dbraw/zinc/98/81/33/517988133.db2.gz SQFNXLGTFHMHHP-ZWKOTPCHSA-N 1 0 359.474 2.984 20 5 FFBDRO COC(=O)c1cc(C)nc(NCC2([NH+](C)C)CCCCCC2)c1[N+](=O)[O-] ZINC000550338450 518005803 /nfs/dbraw/zinc/00/58/03/518005803.db2.gz XGNQNVXRQCIZIX-UHFFFAOYSA-N 1 0 364.446 2.573 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1-c1nc(-c2ccnc(OCC[NH+](C)C)c2)no1 ZINC000547198560 518019055 /nfs/dbraw/zinc/01/90/55/518019055.db2.gz XPNKULPBTNVGKX-UHFFFAOYSA-N 1 0 369.381 2.956 20 5 FFBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@H](C)C[NH+](C)C ZINC000557466324 518019817 /nfs/dbraw/zinc/01/98/17/518019817.db2.gz QWCWXUBITZAMCM-VIFPVBQESA-N 1 0 358.236 2.593 20 5 FFBDRO CCC(CC)(C[NH3+])NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000563617100 518027266 /nfs/dbraw/zinc/02/72/66/518027266.db2.gz IMMCYKUJINCINF-UHFFFAOYSA-N 1 0 363.336 2.783 20 5 FFBDRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC000560841476 518058595 /nfs/dbraw/zinc/05/85/95/518058595.db2.gz IZCZECCSOXGZPQ-QGZVFWFLSA-N 1 0 357.410 2.945 20 5 FFBDRO C[NH+](C)CC[C@@H](NC(=O)NCCNc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000522618089 518135691 /nfs/dbraw/zinc/13/56/91/518135691.db2.gz JWQGTBJDQZYMAO-MRXNPFEDSA-N 1 0 365.478 2.672 20 5 FFBDRO C[NH+](C)CCOc1ccc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 ZINC000517410190 518141687 /nfs/dbraw/zinc/14/16/87/518141687.db2.gz HELAMSNDOHXQNH-UHFFFAOYSA-N 1 0 373.365 2.516 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCO[C@H](C3CCCCC3)C2)c1 ZINC000543585129 518146171 /nfs/dbraw/zinc/14/61/71/518146171.db2.gz IEMWIDHXNWXJLH-HKUYNNGSSA-N 1 0 364.442 2.616 20 5 FFBDRO CCC[C@@H]1CN(C(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1CCOC ZINC000563849027 518147173 /nfs/dbraw/zinc/14/71/73/518147173.db2.gz HPARUKZBKHDBRX-CRAIPNDOSA-N 1 0 363.458 2.658 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[N@@H+](C)C2(CCCCC2)C1 ZINC000581437317 518285992 /nfs/dbraw/zinc/28/59/92/518285992.db2.gz IPUWMJOIJKONAL-UHFFFAOYSA-N 1 0 360.458 2.792 20 5 FFBDRO CCn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)cn1 ZINC000581643197 518384062 /nfs/dbraw/zinc/38/40/62/518384062.db2.gz OLIVRWYXDIXEAE-IRWQIABSSA-N 1 0 371.441 2.790 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CCc1cc2ccccc2o1 ZINC000584834709 518500217 /nfs/dbraw/zinc/50/02/17/518500217.db2.gz WFKLQSCAJWVZBN-OAHLLOKOSA-N 1 0 356.378 2.913 20 5 FFBDRO CNc1ccc(C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)cc1[N+](=O)[O-] ZINC000564570136 518508551 /nfs/dbraw/zinc/50/85/51/518508551.db2.gz SORSKQIBTHXBAE-UHFFFAOYSA-N 1 0 358.442 2.520 20 5 FFBDRO COC(=O)c1cc(NC(=O)N[C@@H](C)C[N@H+](C)C(C)C)c(C)c([N+](=O)[O-])c1 ZINC000570247439 518513698 /nfs/dbraw/zinc/51/36/98/518513698.db2.gz GXWAKUCCXJIYRC-NSHDSACASA-N 1 0 366.418 2.540 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000582012172 518546429 /nfs/dbraw/zinc/54/64/29/518546429.db2.gz YVHSDYPSHLGCJI-HNNXBMFYSA-N 1 0 362.430 2.622 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CCc2c[nH]c3ccccc23)c1 ZINC000576363777 518556435 /nfs/dbraw/zinc/55/64/35/518556435.db2.gz IPMOLVRMWSJNEC-INIZCTEOSA-N 1 0 355.394 2.648 20 5 FFBDRO Cc1cc(NC(=O)c2ccc3c[nH+]cn3c2)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000585698493 518565060 /nfs/dbraw/zinc/56/50/60/518565060.db2.gz GRJZIPIENGUBSQ-UHFFFAOYSA-N 1 0 362.349 2.989 20 5 FFBDRO CCOc1cc(C)ccc1C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000564850063 518652580 /nfs/dbraw/zinc/65/25/80/518652580.db2.gz PJMNUTZLHNTLEU-KRWDZBQOSA-N 1 0 360.410 2.831 20 5 FFBDRO CC[C@H](C)[NH+]1CCN(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000570680981 518729159 /nfs/dbraw/zinc/72/91/59/518729159.db2.gz QHXQFFWIIJMJLE-AWEZNQCLSA-N 1 0 373.457 2.744 20 5 FFBDRO CS(=O)(=O)CC1CCC([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000579614161 518767302 /nfs/dbraw/zinc/76/73/02/518767302.db2.gz TXMPDFZSOXCEPF-ZUEPYMLJSA-N 1 0 352.456 2.775 20 5 FFBDRO C[C@H](Cc1ccc(F)cc1Br)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000573720465 518803235 /nfs/dbraw/zinc/80/32/35/518803235.db2.gz XMTGAWRXQUHXKR-SNVBAGLBSA-N 1 0 371.210 2.914 20 5 FFBDRO C[C@H]1[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000588771273 518826308 /nfs/dbraw/zinc/82/63/08/518826308.db2.gz QSRVJIABOBWDMP-HNAYVOBHSA-N 1 0 353.422 2.917 20 5 FFBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000588818116 518838790 /nfs/dbraw/zinc/83/87/90/518838790.db2.gz BTLKUQXSMDDBRL-OAHLLOKOSA-N 1 0 372.473 2.742 20 5 FFBDRO CN(CC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000573817590 518851266 /nfs/dbraw/zinc/85/12/66/518851266.db2.gz PVSVATVRVHJXPO-UHFFFAOYSA-N 1 0 356.426 2.645 20 5 FFBDRO COc1ccc(-c2ccc(C[N@@H+]3CC[C@H](CC(N)=O)C3)o2)c([N+](=O)[O-])c1 ZINC000589209244 518951161 /nfs/dbraw/zinc/95/11/61/518951161.db2.gz BARCJYZNZNUGRR-GFCCVEGCSA-N 1 0 359.382 2.561 20 5 FFBDRO CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000582859446 518957674 /nfs/dbraw/zinc/95/76/74/518957674.db2.gz LPHKWEDSXWVGKW-LBPRGKRZSA-N 1 0 359.348 2.914 20 5 FFBDRO C[NH+](C)CC[C@H](NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)C(C)(C)C ZINC000577243717 518983357 /nfs/dbraw/zinc/98/33/57/518983357.db2.gz RRGCHKGLPPYSDJ-HNNXBMFYSA-N 1 0 357.401 2.898 20 5 FFBDRO C[C@@H](CNc1ccc([N+](=O)[O-])c(N2CCOCC2)c1F)C[NH+]1CCCC1 ZINC000565550278 519013440 /nfs/dbraw/zinc/01/34/40/519013440.db2.gz WBDGMDXRIPWQSU-AWEZNQCLSA-N 1 0 366.437 2.714 20 5 FFBDRO CC[C@@H](CO)[NH+]1CCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000582978238 519017908 /nfs/dbraw/zinc/01/79/08/519017908.db2.gz OJJYTWBHYRDYGE-ZDUSSCGKSA-N 1 0 361.364 2.502 20 5 FFBDRO CCc1ccc(S(=O)(=O)N(C)[C@H]2CC[N@@H+](CC)C[C@H]2C)cc1[N+](=O)[O-] ZINC000577389888 519057236 /nfs/dbraw/zinc/05/72/36/519057236.db2.gz BXWSELGHVYGDNJ-CJNGLKHVSA-N 1 0 369.487 2.508 20 5 FFBDRO COc1cc(C[NH2+][C@@H]2CC[C@@](O)(C(F)(F)F)C2)c([N+](=O)[O-])cc1OC ZINC000589939000 519109117 /nfs/dbraw/zinc/10/91/17/519109117.db2.gz LSHZEVYOQMWUPW-YGRLFVJLSA-N 1 0 364.320 2.548 20 5 FFBDRO CC(C)n1ncc2c1C[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])CC2 ZINC000580305444 519109613 /nfs/dbraw/zinc/10/96/13/519109613.db2.gz DBUZOPYVKJLSQT-OAHLLOKOSA-N 1 0 371.441 2.848 20 5 FFBDRO Cc1cc(OCC(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000574350763 519113280 /nfs/dbraw/zinc/11/32/80/519113280.db2.gz VLHZPWYONDLHPB-UHFFFAOYSA-N 1 0 363.458 2.861 20 5 FFBDRO COc1c(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])oc2ccccc21 ZINC000580315500 519114299 /nfs/dbraw/zinc/11/42/99/519114299.db2.gz BVZKFEKLBACSPQ-CYBMUJFWSA-N 1 0 372.377 2.879 20 5 FFBDRO COc1ccc(C[C@@](C)([NH3+])CNc2ccc([N+](=O)[O-])c(OC(C)C)n2)cc1 ZINC000577511144 519118554 /nfs/dbraw/zinc/11/85/54/519118554.db2.gz WNBCAAXQHNYZTE-LJQANCHMSA-N 1 0 374.441 2.580 20 5 FFBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000577612252 519168223 /nfs/dbraw/zinc/16/82/23/519168223.db2.gz MKYMQWBFGWDLLO-TXEJJXNPSA-N 1 0 369.874 2.798 20 5 FFBDRO C[C@H]1COCC[N@@H+]1C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000590390354 519212154 /nfs/dbraw/zinc/21/21/54/519212154.db2.gz YJELZTQGNQOZQT-LBPRGKRZSA-N 1 0 367.833 2.574 20 5 FFBDRO Cc1cc(S(=O)(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]2)c(C)cc1[N+](=O)[O-] ZINC000583393133 519224868 /nfs/dbraw/zinc/22/48/68/519224868.db2.gz ZXOYYTYNTCMYKR-HUUCEWRRSA-N 1 0 367.471 2.507 20 5 FFBDRO C[C@@H]1C[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H](c2ccccc2)C1 ZINC000580544671 519231686 /nfs/dbraw/zinc/23/16/86/519231686.db2.gz WNJRURYRIDSGNK-XPYUAMARSA-N 1 0 358.442 2.714 20 5 FFBDRO CCOc1ccc([C@@H]2C[C@H]2[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000583436507 519246697 /nfs/dbraw/zinc/24/66/97/519246697.db2.gz KSJFOLZQVXLFCD-FFZOFVMBSA-N 1 0 372.421 2.879 20 5 FFBDRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000571761407 519262837 /nfs/dbraw/zinc/26/28/37/519262837.db2.gz KLTBHJHATZEISE-HZNSRWLBSA-N 1 0 368.231 2.603 20 5 FFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCC[NH2+]C[C@H](O)C(F)(F)F ZINC000566107770 519303786 /nfs/dbraw/zinc/30/37/86/519303786.db2.gz PCSYNRXTVGKKFQ-JTQLQIEISA-N 1 0 361.242 2.538 20 5 FFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCC[NH2+]C[C@@H](O)C(F)(F)F ZINC000566107774 519304517 /nfs/dbraw/zinc/30/45/17/519304517.db2.gz PCSYNRXTVGKKFQ-SNVBAGLBSA-N 1 0 361.242 2.538 20 5 FFBDRO O=C(CC[NH2+][C@@H]1CCO[C@@H](c2ccncc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000566119759 519314845 /nfs/dbraw/zinc/31/48/45/519314845.db2.gz CGWPLJCVZXGFNV-CRAIPNDOSA-N 1 0 370.409 2.828 20 5 FFBDRO Cn1ncc2ccc(C[NH2+][C@@H]3CCCC[C@@H]3n3ccc([N+](=O)[O-])n3)cc21 ZINC000569167388 519410526 /nfs/dbraw/zinc/41/05/26/519410526.db2.gz MOCNCBYLSQLSFR-CVEARBPZSA-N 1 0 354.414 2.952 20 5 FFBDRO C[C@@]1(NC(=O)COc2cccc([N+](=O)[O-])c2)CC[N@H+](Cc2ccccc2)C1 ZINC000566320212 519430130 /nfs/dbraw/zinc/43/01/30/519430130.db2.gz ZTCXVRKPOIKDDP-HXUWFJFHSA-N 1 0 369.421 2.754 20 5 FFBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000590926384 519437200 /nfs/dbraw/zinc/43/72/00/519437200.db2.gz OGIPBPXYRCMRHV-WMZOPIPTSA-N 1 0 360.458 2.968 20 5 FFBDRO CCCC[N@H+](C)C[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000580979939 519457612 /nfs/dbraw/zinc/45/76/12/519457612.db2.gz QGRXAGPSNKACJA-LLVKDONJSA-N 1 0 363.867 2.647 20 5 FFBDRO [NH3+]CCN(Cc1cnn(Cc2ccc(F)cc2)c1)c1ccccc1[N+](=O)[O-] ZINC000578175817 519458786 /nfs/dbraw/zinc/45/87/86/519458786.db2.gz YXLMJHUHIKMWCR-UHFFFAOYSA-N 1 0 369.400 2.944 20 5 FFBDRO CC(C)[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C2CC2)CC[N@@H+]1C ZINC000566383198 519464979 /nfs/dbraw/zinc/46/49/79/519464979.db2.gz ALRKKBITRPQKHY-QGZVFWFLSA-N 1 0 370.457 2.965 20 5 FFBDRO CC(C)([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1 ZINC000591018754 519480055 /nfs/dbraw/zinc/48/00/55/519480055.db2.gz KPWARIJGWFUAKW-UHFFFAOYSA-N 1 0 370.409 2.930 20 5 FFBDRO C[C@@H](C(=O)Nc1ccnc(OCC[NH+](C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000572223941 519502958 /nfs/dbraw/zinc/50/29/58/519502958.db2.gz GCLVWQLDWXXETM-CYBMUJFWSA-N 1 0 358.398 2.672 20 5 FFBDRO C[NH+](C)CCc1ccc(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000569353669 519507274 /nfs/dbraw/zinc/50/72/74/519507274.db2.gz VLYXAYNMYHYJFP-UHFFFAOYSA-N 1 0 353.422 2.897 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]Cc1cccc(OC(F)F)c1 ZINC000566615320 519578850 /nfs/dbraw/zinc/57/88/50/519578850.db2.gz IUZAQCYQOAXWNC-CYBMUJFWSA-N 1 0 368.336 2.726 20 5 FFBDRO C[C@H](C(=O)NCC1([NH+](C)C)Cc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000584087882 519583358 /nfs/dbraw/zinc/58/33/58/519583358.db2.gz NRMAXLNYFKBBBZ-HNNXBMFYSA-N 1 0 367.449 2.914 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NCCCCC[NH+]2CCCC2)c1 ZINC000575334444 519594486 /nfs/dbraw/zinc/59/44/86/519594486.db2.gz PDVATWAFYBQKHK-UHFFFAOYSA-N 1 0 369.487 2.756 20 5 FFBDRO O=[N+]([O-])c1cncc(Br)c1N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000591444709 519626702 /nfs/dbraw/zinc/62/67/02/519626702.db2.gz IPVYXVDEUVLGON-GHMZBOCLSA-N 1 0 355.236 2.578 20 5 FFBDRO COC(=O)c1cnc(N2CCC[C@@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)c([N+](=O)[O-])c1 ZINC000616176880 519933500 /nfs/dbraw/zinc/93/35/00/519933500.db2.gz MVIRGVRMXSMVPF-VNHYZAJKSA-N 1 0 362.430 2.618 20 5 FFBDRO CCC(C)(C)[NH+]1CCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000594389863 519935329 /nfs/dbraw/zinc/93/53/29/519935329.db2.gz OZXPMMNVEVGXRD-UHFFFAOYSA-N 1 0 371.441 2.727 20 5 FFBDRO CCOc1cc(C[NH2+][C@@H]([C@H]2CCCO2)C2(CO)CCC2)ccc1[N+](=O)[O-] ZINC000602891743 519953655 /nfs/dbraw/zinc/95/36/55/519953655.db2.gz OLPBUSFINJZTGX-AEFFLSMTSA-N 1 0 364.442 2.793 20 5 FFBDRO Cn1ccnc1[C@H](N[C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000591582259 519959011 /nfs/dbraw/zinc/95/90/11/519959011.db2.gz BXHWZJMIMWXRDK-NVXWUHKLSA-N 1 0 355.442 2.682 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594484872 519994770 /nfs/dbraw/zinc/99/47/70/519994770.db2.gz WLDZUALZSZYCNI-CHWSQXEVSA-N 1 0 373.862 2.543 20 5 FFBDRO O=C(c1ccc(Br)cc1[N+](=O)[O-])N(C1CC1)C1CC[NH2+]CC1 ZINC000591681179 519996827 /nfs/dbraw/zinc/99/68/27/519996827.db2.gz VIPUSSUUIIBYCE-UHFFFAOYSA-N 1 0 368.231 2.714 20 5 FFBDRO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000600007478 519998094 /nfs/dbraw/zinc/99/80/94/519998094.db2.gz UJVRKTVODFCAGQ-UHFFFAOYSA-N 1 0 367.833 2.575 20 5 FFBDRO O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000591686208 519998406 /nfs/dbraw/zinc/99/84/06/519998406.db2.gz SMNAZTPEWWMCOG-HOTGVXAUSA-N 1 0 372.400 2.637 20 5 FFBDRO NC(=O)c1ccccc1N1CC[C@@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000594494945 520001880 /nfs/dbraw/zinc/00/18/80/520001880.db2.gz INVIWTITIQWELS-CXAGYDPISA-N 1 0 366.421 2.550 20 5 FFBDRO CCOc1ccc([C@H](C)NCc2nc([C@@H]3CCCO3)n[nH]2)cc1[N+](=O)[O-] ZINC000594507549 520006983 /nfs/dbraw/zinc/00/69/83/520006983.db2.gz GYGOFISOPBSUBR-NHYWBVRUSA-N 1 0 361.402 2.814 20 5 FFBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]Cc1nc([C@@H]2CCCO2)n[nH]1)C1CC1 ZINC000594513913 520010446 /nfs/dbraw/zinc/01/04/46/520010446.db2.gz UUKNJLORFHAFNU-ZBFHGGJFSA-N 1 0 357.414 2.675 20 5 FFBDRO CC(C)[N@@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)C1 ZINC000594547610 520021327 /nfs/dbraw/zinc/02/13/27/520021327.db2.gz UQAFBXPXLCPQEK-CQSZACIVSA-N 1 0 366.437 2.713 20 5 FFBDRO Cc1ccc(CC[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1C ZINC000594716737 520107876 /nfs/dbraw/zinc/10/78/76/520107876.db2.gz UZGCNRILOGPSIC-UHFFFAOYSA-N 1 0 362.451 2.818 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CCc1ccnc2ccccc12 ZINC000594716956 520108289 /nfs/dbraw/zinc/10/82/89/520108289.db2.gz ZESOXNDHFJVGAL-MRXNPFEDSA-N 1 0 367.405 2.715 20 5 FFBDRO Cn1cc(CC[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC000594732805 520121512 /nfs/dbraw/zinc/12/15/12/520121512.db2.gz OBHRHUMFJFFKQK-KRWDZBQOSA-N 1 0 369.421 2.659 20 5 FFBDRO CC(C)[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])n2C)CC[N@@H+]1Cc1ccccc1 ZINC000600252610 520159801 /nfs/dbraw/zinc/15/98/01/520159801.db2.gz KKVTXLKOMDCGBS-GOSISDBHSA-N 1 0 370.453 2.916 20 5 FFBDRO Cn1c(C(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000609018353 520179083 /nfs/dbraw/zinc/17/90/83/520179083.db2.gz VHJWZDDDEUJUNA-INIZCTEOSA-N 1 0 356.426 2.890 20 5 FFBDRO CC[NH+](CC)CC1CCN(C(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000609016803 520179295 /nfs/dbraw/zinc/17/92/95/520179295.db2.gz ZJDQLAWMDVYFGA-UHFFFAOYSA-N 1 0 363.458 2.726 20 5 FFBDRO C[N@@H+]1CCCC[C@@H](CNC(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000600313176 520198727 /nfs/dbraw/zinc/19/87/27/520198727.db2.gz IIQCBUPARITMRQ-NSHDSACASA-N 1 0 370.247 2.819 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000609138485 520203203 /nfs/dbraw/zinc/20/32/03/520203203.db2.gz PGHGTWDDWTVGJG-UHFFFAOYSA-N 1 0 369.487 2.644 20 5 FFBDRO O=c1ccccn1CC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592131217 520207917 /nfs/dbraw/zinc/20/79/17/520207917.db2.gz UDNTWDWZESKCRQ-IYARVYRRSA-N 1 0 371.437 2.562 20 5 FFBDRO COc1ccccc1C1([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000592144747 520222053 /nfs/dbraw/zinc/22/20/53/520222053.db2.gz MEIXUNKQQAHBFV-AWEZNQCLSA-N 1 0 358.394 2.622 20 5 FFBDRO O=C(CC[NH2+][C@H](CCO)c1ccccc1F)Nc1ccccc1[N+](=O)[O-] ZINC000592162374 520237361 /nfs/dbraw/zinc/23/73/61/520237361.db2.gz YTYMTAVJRSQPNJ-OAHLLOKOSA-N 1 0 361.373 2.776 20 5 FFBDRO Cn1cc(C[C@H]2CCC[C@H]2[NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)cn1 ZINC000594980810 520242657 /nfs/dbraw/zinc/24/26/57/520242657.db2.gz SPMHYOQFFDBBOR-RDTXWAMCSA-N 1 0 372.425 2.696 20 5 FFBDRO COc1cc(C[NH2+]C[C@@H](O)[C@H](C)c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000595000863 520251151 /nfs/dbraw/zinc/25/11/51/520251151.db2.gz ODXMOMVTVMLSHC-CXAGYDPISA-N 1 0 360.410 2.866 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H](O)COc1ccc(F)cc1 ZINC000595017239 520259377 /nfs/dbraw/zinc/25/93/77/520259377.db2.gz KVWGZBOESGVMTA-SWLSCSKDSA-N 1 0 364.373 2.833 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CCCN(c2cc(C)nn2C)C1 ZINC000595048922 520269706 /nfs/dbraw/zinc/26/97/06/520269706.db2.gz SOAVRWJSEQQQME-GJZGRUSLSA-N 1 0 373.457 2.965 20 5 FFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]Cc2cnc(C(F)(F)F)nc2)n1 ZINC000595058535 520272797 /nfs/dbraw/zinc/27/27/97/520272797.db2.gz CODOYIOPPXSZND-RYUDHWBXSA-N 1 0 370.335 2.874 20 5 FFBDRO C[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000595058824 520274696 /nfs/dbraw/zinc/27/46/96/520274696.db2.gz GOEXOSMGEFVTAR-LRPIPIIISA-N 1 0 354.476 2.554 20 5 FFBDRO O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000600469591 520278131 /nfs/dbraw/zinc/27/81/31/520278131.db2.gz CKVQCKBUGLSIKI-CYBMUJFWSA-N 1 0 369.368 2.943 20 5 FFBDRO CS(=O)(=O)C1(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CCCCC1 ZINC000595079764 520284114 /nfs/dbraw/zinc/28/41/14/520284114.db2.gz YMTGGQGLHFEBKF-HNNXBMFYSA-N 1 0 352.456 2.919 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)cc1SC ZINC000597857674 520285869 /nfs/dbraw/zinc/28/58/69/520285869.db2.gz ITDKEPVDIJKNTR-LLVKDONJSA-N 1 0 367.471 2.928 20 5 FFBDRO CC(C)[C@H]1CN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[NH2+]1 ZINC000592241495 520286581 /nfs/dbraw/zinc/28/65/81/520286581.db2.gz DMLBOSPFPDSNKD-CQSZACIVSA-N 1 0 360.439 2.788 20 5 FFBDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000609346921 520289304 /nfs/dbraw/zinc/28/93/04/520289304.db2.gz WBHBNMZSCYGXGT-GASCZTMLSA-N 1 0 371.441 2.773 20 5 FFBDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000609346501 520289684 /nfs/dbraw/zinc/28/96/84/520289684.db2.gz INJPEQSSEOKAPK-GASCZTMLSA-N 1 0 371.441 2.773 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC(C)(C)[C@@]1(O)CCCOC1 ZINC000595093495 520291289 /nfs/dbraw/zinc/29/12/89/520291289.db2.gz BMRBVPIDMAXERI-SCLBCKFNSA-N 1 0 352.431 2.822 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCN1C[C@H]2CCCCN2C1=O ZINC000595098641 520293361 /nfs/dbraw/zinc/29/33/61/520293361.db2.gz DFGLWAUGCMLNQM-DZGCQCFKSA-N 1 0 362.430 2.544 20 5 FFBDRO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNc3ccc([N+](=O)[O-])s3)c2)C1 ZINC000609384202 520300254 /nfs/dbraw/zinc/30/02/54/520300254.db2.gz UYQJFMUPPOPZJA-OAHLLOKOSA-N 1 0 374.466 2.966 20 5 FFBDRO CNc1c(C(=O)NCc2cccnc2N2CCCC2)cccc1[N+](=O)[O-] ZINC000597942369 520341105 /nfs/dbraw/zinc/34/11/05/520341105.db2.gz WJIUDRHTOYPMQO-UHFFFAOYSA-N 1 0 355.398 2.562 20 5 FFBDRO C[N@@H+]1CCCC[C@@H]1C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000609546637 520353557 /nfs/dbraw/zinc/35/35/57/520353557.db2.gz GPLPPBLIXZTAFC-CYBMUJFWSA-N 1 0 374.363 2.626 20 5 FFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000609583465 520366760 /nfs/dbraw/zinc/36/67/60/520366760.db2.gz KCIWJPMQFYGMCW-CHWSQXEVSA-N 1 0 351.472 2.922 20 5 FFBDRO COc1ccc(C(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)cc1[N+](=O)[O-] ZINC000595258299 520376420 /nfs/dbraw/zinc/37/64/20/520376420.db2.gz TXRPHQHJVBYQCV-QGZVFWFLSA-N 1 0 357.366 2.517 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000595269717 520379555 /nfs/dbraw/zinc/37/95/55/520379555.db2.gz RAXJCASXGCSGSN-SJLPKXTDSA-N 1 0 357.385 2.918 20 5 FFBDRO Cc1c(CNC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000595273771 520381928 /nfs/dbraw/zinc/38/19/28/520381928.db2.gz HZXVSQNQJCRPKR-QZTJIDSGSA-N 1 0 368.437 2.848 20 5 FFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@]2(CO)CCCN(Cc3ccccc3)C2)cc1 ZINC000609620417 520382506 /nfs/dbraw/zinc/38/25/06/520382506.db2.gz DZRUDBYKQNLRTH-HXUWFJFHSA-N 1 0 355.438 2.712 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000603982292 520422950 /nfs/dbraw/zinc/42/29/50/520422950.db2.gz DPDOQVNAFRKDST-KBPBESRZSA-N 1 0 369.487 2.550 20 5 FFBDRO CC[C@@H](NC(=O)c1cnn2c1[C@H](C[NH3+])CCC2)c1cccc([N+](=O)[O-])c1 ZINC000592538543 520448801 /nfs/dbraw/zinc/44/88/01/520448801.db2.gz SYSAHNVNKYAOQU-XJKSGUPXSA-N 1 0 357.414 2.509 20 5 FFBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N(C)CC3C[NH+](C)C3)cc2[N+](=O)[O-])C1 ZINC000598165494 520462556 /nfs/dbraw/zinc/46/25/56/520462556.db2.gz YCVGUVXYWVDGFC-HUUCEWRRSA-N 1 0 374.485 2.711 20 5 FFBDRO Cc1c(NC(=O)CC[NH2+][C@H](CO)[C@@H](C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000613388481 520476031 /nfs/dbraw/zinc/47/60/31/520476031.db2.gz AJCAAOPWQGMTND-KBXCAEBGSA-N 1 0 371.437 2.986 20 5 FFBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[N@H+](Cc3ccccc3)CC[C@H]2C)n1 ZINC000617408086 520479822 /nfs/dbraw/zinc/47/98/22/520479822.db2.gz ZAKFFWFAPVCHIR-OAHLLOKOSA-N 1 0 371.441 2.548 20 5 FFBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Br)[NH+]1CCCC1 ZINC000610063770 520520877 /nfs/dbraw/zinc/52/08/77/520520877.db2.gz GSLZWEJCBAGZRE-SNVBAGLBSA-N 1 0 356.220 2.571 20 5 FFBDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000598262997 520527868 /nfs/dbraw/zinc/52/78/68/520527868.db2.gz OMQXPPMVGOWSIK-OAHLLOKOSA-N 1 0 371.441 2.631 20 5 FFBDRO O=C(NCCc1ccccc1[N+](=O)[O-])NCC1CC[NH+](CC2CC2)CC1 ZINC000595522797 520528061 /nfs/dbraw/zinc/52/80/61/520528061.db2.gz NWTBQDORJZPJRG-UHFFFAOYSA-N 1 0 360.458 2.559 20 5 FFBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC(Cc3nc4ccccc4[nH]3)CC2)n1 ZINC000595550553 520547886 /nfs/dbraw/zinc/54/78/86/520547886.db2.gz BYRRVOPZZRPCGM-UHFFFAOYSA-N 1 0 354.414 2.622 20 5 FFBDRO Cc1ccc(C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)cc1[N+](=O)[O-] ZINC000610180393 520569801 /nfs/dbraw/zinc/56/98/01/520569801.db2.gz GMFHCYJICXCTFZ-UHFFFAOYSA-N 1 0 353.422 2.732 20 5 FFBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CC[C@H](Cn3ccnn3)C2)c1 ZINC000595608734 520590637 /nfs/dbraw/zinc/59/06/37/520590637.db2.gz UWVVUKUDSXVREF-NSHDSACASA-N 1 0 355.320 2.727 20 5 FFBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]C[C@H](c1ccco1)N1CCCC1)OCCO2 ZINC000604532192 520592119 /nfs/dbraw/zinc/59/21/19/520592119.db2.gz IAVUJFDJTPBZAP-MRXNPFEDSA-N 1 0 373.409 2.886 20 5 FFBDRO O=C(Nc1ccc(C[NH+]2CCC(O)CC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000604539197 520592609 /nfs/dbraw/zinc/59/26/09/520592609.db2.gz XVPUOIQJSKMPHV-UHFFFAOYSA-N 1 0 355.394 2.804 20 5 FFBDRO C[C@@H]1C[C@H]1N1C[C@@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1=O ZINC000610272795 520615642 /nfs/dbraw/zinc/61/56/42/520615642.db2.gz OJDHQHBTELIVAW-IIYDPXPESA-N 1 0 355.394 2.954 20 5 FFBDRO O=[N+]([O-])c1cc(F)cnc1NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000601113552 520641943 /nfs/dbraw/zinc/64/19/43/520641943.db2.gz IBBKLZUTVSFFLT-UHFFFAOYSA-N 1 0 360.389 2.698 20 5 FFBDRO COC[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1cccc(OC)c1 ZINC000595683320 520646502 /nfs/dbraw/zinc/64/65/02/520646502.db2.gz GOLPVSRPAWFPQM-KRWDZBQOSA-N 1 0 373.409 2.909 20 5 FFBDRO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NCC1CC[NH+](CC2CC2)CC1 ZINC000601199090 520682378 /nfs/dbraw/zinc/68/23/78/520682378.db2.gz OQEQKZWDAFHAFI-UHFFFAOYSA-N 1 0 361.368 2.881 20 5 FFBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)NCC1CC[NH+](CC2CC2)CC1 ZINC000598537955 520689002 /nfs/dbraw/zinc/68/90/02/520689002.db2.gz USCGPLFSSASLID-UHFFFAOYSA-N 1 0 363.483 2.925 20 5 FFBDRO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)c1ccc([N+](=O)[O-])n1C ZINC000610446089 520691305 /nfs/dbraw/zinc/69/13/05/520691305.db2.gz PHMWBNBEKBTTFT-HNNXBMFYSA-N 1 0 356.426 2.670 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H](CO)[C@@H](C)c2ccccc2)c1 ZINC000593024423 520691320 /nfs/dbraw/zinc/69/13/20/520691320.db2.gz DOHYXWWECRHGPD-GUYCJALGSA-N 1 0 358.394 2.636 20 5 FFBDRO C[C@@H]1C[NH+](C[C@@H]2CCCN2Cc2ccc([N+](=O)[O-])cc2F)C[C@@H](C)O1 ZINC000610476287 520704652 /nfs/dbraw/zinc/70/46/52/520704652.db2.gz VASYXCZOHKUADB-CPUCHLNUSA-N 1 0 351.422 2.808 20 5 FFBDRO O=C(NCCc1ccccc1[N+](=O)[O-])Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000610478220 520707219 /nfs/dbraw/zinc/70/72/19/520707219.db2.gz RBEYYWNAAMMPLH-UHFFFAOYSA-N 1 0 352.354 2.540 20 5 FFBDRO Cn1cc(C[C@H]2CCC[C@H]2[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])cn1 ZINC000595767779 520708881 /nfs/dbraw/zinc/70/88/81/520708881.db2.gz COICXUBCQHESBP-HZPDHXFCSA-N 1 0 371.441 2.658 20 5 FFBDRO NC(=O)c1ccc(N2CCC[C@H](C[NH+]3CCCCCC3)C2)c([N+](=O)[O-])c1 ZINC000610550223 520736684 /nfs/dbraw/zinc/73/66/84/520736684.db2.gz XXDPHXHFCQAAIT-OAHLLOKOSA-N 1 0 360.458 2.786 20 5 FFBDRO Cc1ccc(S(=O)(=O)N(CC[NH+](C)C)C2CCCC2)c(C)c1[N+](=O)[O-] ZINC000598610351 520741048 /nfs/dbraw/zinc/74/10/48/520741048.db2.gz ZWWMIPXZRXMPRF-UHFFFAOYSA-N 1 0 369.487 2.707 20 5 FFBDRO Cc1ccc(S(=O)(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)c(C)c1[N+](=O)[O-] ZINC000598614151 520743826 /nfs/dbraw/zinc/74/38/26/520743826.db2.gz JJHPMTKDTRHMQR-LSDHHAIUSA-N 1 0 367.471 2.507 20 5 FFBDRO COC(=O)c1ccnc(Nc2cccc3c2OCC[C@@H]3[NH+](C)C)c1[N+](=O)[O-] ZINC000598623115 520747805 /nfs/dbraw/zinc/74/78/05/520747805.db2.gz VKJZVNAUZRJYLN-AWEZNQCLSA-N 1 0 372.381 2.905 20 5 FFBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000593118341 520757486 /nfs/dbraw/zinc/75/74/86/520757486.db2.gz QLCQWFUDLZQEON-HNNXBMFYSA-N 1 0 353.325 2.624 20 5 FFBDRO Cc1ccc([C@H](C)NC(=O)N2CCN(c3cc[nH+]cc3)CC2)cc1[N+](=O)[O-] ZINC000610597031 520759095 /nfs/dbraw/zinc/75/90/95/520759095.db2.gz NOVHUBOSXXGPGR-HNNXBMFYSA-N 1 0 369.425 2.891 20 5 FFBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000595900232 520805457 /nfs/dbraw/zinc/80/54/57/520805457.db2.gz BSEHLUNWTJGORF-HOCLYGCPSA-N 1 0 360.458 2.633 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000595901600 520807795 /nfs/dbraw/zinc/80/77/95/520807795.db2.gz YRBPKIKSLVSDRR-INIZCTEOSA-N 1 0 360.458 2.553 20 5 FFBDRO [NH3+]C[C@H]1CCc2ccccc2N1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000595903258 520809169 /nfs/dbraw/zinc/80/91/69/520809169.db2.gz PJEHXVIKTCRDLX-QGZVFWFLSA-N 1 0 354.410 2.704 20 5 FFBDRO [NH3+]C[C@H]1CCc2ccccc2N1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000595903512 520809838 /nfs/dbraw/zinc/80/98/38/520809838.db2.gz XEHABGIMFRSLQY-MRXNPFEDSA-N 1 0 365.393 2.925 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595935424 520832645 /nfs/dbraw/zinc/83/26/45/520832645.db2.gz DBOPZXJZJXWSRH-OAHLLOKOSA-N 1 0 368.437 2.995 20 5 FFBDRO [NH3+]C1(CNC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCCC1 ZINC000595940392 520833500 /nfs/dbraw/zinc/83/35/00/520833500.db2.gz DVTQFOUSRPCQTC-UHFFFAOYSA-N 1 0 374.363 2.803 20 5 FFBDRO [NH3+]C[C@H]1Cc2ccccc2N(C(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000601552610 520837346 /nfs/dbraw/zinc/83/73/46/520837346.db2.gz VHPLXXGKUAOLJR-CQSZACIVSA-N 1 0 355.394 2.528 20 5 FFBDRO C[NH2+]C[C@H](C)NC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000595983597 520844755 /nfs/dbraw/zinc/84/47/55/520844755.db2.gz PSQJKZSHFVUSCQ-STQMWFEESA-N 1 0 357.414 2.501 20 5 FFBDRO CC[C@H]1CN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)[C@@H](CC)CO1 ZINC000593258618 520863971 /nfs/dbraw/zinc/86/39/71/520863971.db2.gz QNODDNCUGJOJGD-GJZGRUSLSA-N 1 0 358.398 2.810 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C[NH+](C)C)cc1OC ZINC000601621950 520869040 /nfs/dbraw/zinc/86/90/40/520869040.db2.gz QBGHBTTXAIGJDS-UHFFFAOYSA-N 1 0 359.382 2.926 20 5 FFBDRO CCc1ccc(C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)cc1[N+](=O)[O-] ZINC000601772140 520944034 /nfs/dbraw/zinc/94/40/34/520944034.db2.gz IWJUFHCIXCYITB-UHFFFAOYSA-N 1 0 357.414 2.873 20 5 FFBDRO COC(=O)c1c(Cl)c(N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000596168168 520948176 /nfs/dbraw/zinc/94/81/76/520948176.db2.gz LVELVCSLTTZFKY-VXGBXAGGSA-N 1 0 367.833 2.955 20 5 FFBDRO CN1CCOC[C@H]1C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000599004210 520973988 /nfs/dbraw/zinc/97/39/88/520973988.db2.gz QFZBKRQHBJQKNJ-CYBMUJFWSA-N 1 0 365.817 2.928 20 5 FFBDRO NC(=O)c1cc(N(CC[NH+]2CCCCCC2)C2CCC2)ccc1[N+](=O)[O-] ZINC000596241329 520990265 /nfs/dbraw/zinc/99/02/65/520990265.db2.gz DHJXYCJBXMNKMX-UHFFFAOYSA-N 1 0 360.458 2.929 20 5 FFBDRO COC(=O)C1CC[NH+](CCCNc2ccnc3cc([N+](=O)[O-])ccc32)CC1 ZINC000593455617 521004499 /nfs/dbraw/zinc/00/44/99/521004499.db2.gz UFCCCPXKSOTFOE-UHFFFAOYSA-N 1 0 372.425 2.830 20 5 FFBDRO Cn1ncc(C(F)(F)F)c1C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000599061840 521007308 /nfs/dbraw/zinc/00/73/08/521007308.db2.gz SJTORSDGOPTBLM-RYUDHWBXSA-N 1 0 372.351 2.817 20 5 FFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1CCCN1CC(F)F ZINC000599066612 521011040 /nfs/dbraw/zinc/01/10/40/521011040.db2.gz SZQFGHJPAGNCGI-SWLSCSKDSA-N 1 0 370.400 2.631 20 5 FFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1CCN1C1CCCC1 ZINC000599072933 521016818 /nfs/dbraw/zinc/01/68/18/521016818.db2.gz COPJPJUHKBHUCF-KBXCAEBGSA-N 1 0 360.458 2.918 20 5 FFBDRO C[C@@H]([NH2+]C[C@@H]1CN(Cc2ccncc2)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000599087242 521024191 /nfs/dbraw/zinc/02/41/91/521024191.db2.gz GUXDHXJVCMTBBU-DNVCBOLYSA-N 1 0 356.426 2.541 20 5 FFBDRO C[N@@H+]1C[C@H](C(=O)NCCc2ccc([N+](=O)[O-])cc2)[C@@H](c2ccccc2)C1 ZINC000599139830 521051675 /nfs/dbraw/zinc/05/16/75/521051675.db2.gz QQKDTCBJQNFBSK-MOPGFXCFSA-N 1 0 353.422 2.599 20 5 FFBDRO CCn1nc(C)c([N+](=O)[O-])c1NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000596435589 521068346 /nfs/dbraw/zinc/06/83/46/521068346.db2.gz BUIQUEBWYOXYMS-UHFFFAOYSA-N 1 0 358.446 2.839 20 5 FFBDRO C[NH+](C)C[C@@H](Nc1ncc([N+](=O)[O-])c(N)n1)c1ccc(Cl)c(Cl)c1 ZINC000599172055 521069602 /nfs/dbraw/zinc/06/96/02/521069602.db2.gz JMTXJTACHZDLCL-LLVKDONJSA-N 1 0 371.228 2.819 20 5 FFBDRO CCn1c(C)nc([N+](=O)[O-])c1NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000596436712 521070582 /nfs/dbraw/zinc/07/05/82/521070582.db2.gz PFSYOETUFRSNRZ-UHFFFAOYSA-N 1 0 358.446 2.839 20 5 FFBDRO O=C(NCC1CC[NH+](C2CCOCC2)CC1)Nc1cccc([N+](=O)[O-])c1 ZINC000596444176 521071874 /nfs/dbraw/zinc/07/18/74/521071874.db2.gz MHKWLXRTDMUMBJ-UHFFFAOYSA-N 1 0 362.430 2.607 20 5 FFBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611274781 521075236 /nfs/dbraw/zinc/07/52/36/521075236.db2.gz HXWFVFIULSOGOG-HNNXBMFYSA-N 1 0 361.442 2.530 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)nc1-c1ccccc1 ZINC000596537365 521122307 /nfs/dbraw/zinc/12/23/07/521122307.db2.gz DJEOCDRWBUJRNY-QGZVFWFLSA-N 1 0 368.437 2.692 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@]1(CO)CCc2ccccc21 ZINC000593653172 521132846 /nfs/dbraw/zinc/13/28/46/521132846.db2.gz VJMRHHBVEREWHM-FQEVSTJZSA-N 1 0 356.422 2.960 20 5 FFBDRO COc1ccc(OCC[N@@H+]2Cc3c[nH]nc3CC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000596599411 521156501 /nfs/dbraw/zinc/15/65/01/521156501.db2.gz SQOBDEKZROBLAW-UHFFFAOYSA-N 1 0 360.414 2.790 20 5 FFBDRO CCN1C[C@H](C[NH2+]Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)CC1=O ZINC000593690896 521159723 /nfs/dbraw/zinc/15/97/23/521159723.db2.gz XOHINPZIFGXPAC-ZDUSSCGKSA-N 1 0 373.409 2.821 20 5 FFBDRO C[NH+]1CCN(c2ccc(-c3noc(-c4ccc([N+](=O)[O-])s4)n3)nc2)CC1 ZINC000596605010 521163409 /nfs/dbraw/zinc/16/34/09/521163409.db2.gz GHPFAMYOAZFDGC-UHFFFAOYSA-N 1 0 372.410 2.520 20 5 FFBDRO C[N@H+](CCNC(=O)c1c(Br)cccc1[N+](=O)[O-])C1CCCC1 ZINC000599346137 521166468 /nfs/dbraw/zinc/16/64/68/521166468.db2.gz ZEBIFMHZUGOCFT-UHFFFAOYSA-N 1 0 370.247 2.962 20 5 FFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CC(=O)N(CC)C1 ZINC000593722745 521176302 /nfs/dbraw/zinc/17/63/02/521176302.db2.gz LLDQLMDQUIIIKM-ZIAGYGMSSA-N 1 0 351.472 2.924 20 5 FFBDRO O=[N+]([O-])c1ccc(CO)c(-c2cccc(OCC[NH+]3CCC(O)CC3)c2)c1 ZINC000596634257 521179739 /nfs/dbraw/zinc/17/97/39/521179739.db2.gz HLTJBXSCNIKPBO-UHFFFAOYSA-N 1 0 372.421 2.590 20 5 FFBDRO CC(=O)Nc1ccc(-c2ccccc2CN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000596638719 521182824 /nfs/dbraw/zinc/18/28/24/521182824.db2.gz BMBFALSQNIYVNJ-UHFFFAOYSA-N 1 0 368.437 2.968 20 5 FFBDRO O=[N+]([O-])c1ccc(OCC[N@H+](Cc2ccccc2)[C@]2(CO)CCOC2)cc1 ZINC000599395762 521197902 /nfs/dbraw/zinc/19/79/02/521197902.db2.gz JVEKQQHBQCYZQA-FQEVSTJZSA-N 1 0 372.421 2.627 20 5 FFBDRO CC(C)[NH2+][C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000611521794 521200121 /nfs/dbraw/zinc/20/01/21/521200121.db2.gz NTPLNPYTQQSDAP-LLVKDONJSA-N 1 0 357.357 2.799 20 5 FFBDRO CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2C[C@H]3C[NH2+]C[C@H]3C2)cc1OC ZINC000611661341 521270383 /nfs/dbraw/zinc/27/03/83/521270383.db2.gz WCKKWBMOTQXFGW-BMFZPTHFSA-N 1 0 363.458 2.680 20 5 FFBDRO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000593912383 521287537 /nfs/dbraw/zinc/28/75/37/521287537.db2.gz MTVRDAIHNMYIOO-ZBEGNZNMSA-N 1 0 369.874 2.928 20 5 FFBDRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000593919272 521292190 /nfs/dbraw/zinc/29/21/90/521292190.db2.gz PRIHYWHCOZCYPY-BMFZPTHFSA-N 1 0 367.833 2.749 20 5 FFBDRO CCOc1cc(NC(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)c([N+](=O)[O-])cc1OCC ZINC000599598557 521321796 /nfs/dbraw/zinc/32/17/96/521321796.db2.gz GCOQWTQFKWGRBN-NWDGAFQWSA-N 1 0 366.418 2.654 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000596837660 521323004 /nfs/dbraw/zinc/32/30/04/521323004.db2.gz WBBXYPYZLSQVJA-HNNXBMFYSA-N 1 0 364.446 2.786 20 5 FFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000602474185 521364655 /nfs/dbraw/zinc/36/46/55/521364655.db2.gz ITBGCFHEKCPFKH-ZDUSSCGKSA-N 1 0 373.375 2.768 20 5 FFBDRO C[C@@H]1CN(c2ccc(C[NH2+]CCc3ccc([N+](=O)[O-])cc3)cn2)C[C@H](C)O1 ZINC000602516225 521390712 /nfs/dbraw/zinc/39/07/12/521390712.db2.gz WJORXQLUSMRJML-IYBDPMFKSA-N 1 0 370.453 2.936 20 5 FFBDRO O=[N+]([O-])c1cnn(CCN2CCc3cc(F)cc(Br)c3C2)c1 ZINC000599682833 521395931 /nfs/dbraw/zinc/39/59/31/521395931.db2.gz LTTWZSRHYXXFTB-UHFFFAOYSA-N 1 0 369.194 2.751 20 5 FFBDRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2cnccc2C)c([N+](=O)[O-])c1 ZINC000611939527 521401567 /nfs/dbraw/zinc/40/15/67/521401567.db2.gz QNZUTKLTMXITTC-CHWSQXEVSA-N 1 0 358.398 2.985 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]Cc3ccc4c(c3)COC4)CC2)cn1 ZINC000602578269 521419065 /nfs/dbraw/zinc/41/90/65/521419065.db2.gz WSWMSEDIQPUGTO-UHFFFAOYSA-N 1 0 354.410 2.779 20 5 FFBDRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000602599500 521432809 /nfs/dbraw/zinc/43/28/09/521432809.db2.gz QOVXGYAJYGCEDC-CTASWTNQSA-N 1 0 360.458 2.639 20 5 FFBDRO COC[C@H](CC[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)OC ZINC000602706518 521486794 /nfs/dbraw/zinc/48/67/94/521486794.db2.gz PCRLMYZCZSRQKZ-QMMMGPOBSA-N 1 0 353.238 2.560 20 5 FFBDRO C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12)C1CC[NH+](C)CC1 ZINC000599830042 521498609 /nfs/dbraw/zinc/49/86/09/521498609.db2.gz PQYOAXYDERTBBI-GFCCVEGCSA-N 1 0 357.414 2.995 20 5 FFBDRO O=C(Nc1ccc([N+](=O)[O-])c2ccncc12)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000599831171 521499665 /nfs/dbraw/zinc/49/96/65/521499665.db2.gz OXRQKZZJQGANMF-WBVHZDCISA-N 1 0 355.398 2.891 20 5 FFBDRO O=C(Nc1ccc([N+](=O)[O-])c2ccncc12)N1CC[NH+](CC2CC2)CC1 ZINC000599831342 521499869 /nfs/dbraw/zinc/49/98/69/521499869.db2.gz REPBECXFBGYESE-UHFFFAOYSA-N 1 0 355.398 2.703 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]CCC2CS(=O)(=O)C2)c2ccccc2)c1 ZINC000615761610 521523287 /nfs/dbraw/zinc/52/32/87/521523287.db2.gz VIFUXMIDBONXKR-GOSISDBHSA-N 1 0 360.435 2.709 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CCN1CC[N@@H+](Cc2ccccc2)CC[C@H]1C ZINC000602784135 521531411 /nfs/dbraw/zinc/53/14/11/521531411.db2.gz QCBMQMHUSBAUSY-MRXNPFEDSA-N 1 0 357.458 2.696 20 5 FFBDRO COc1cc(C[NH2+][C@@H]2COC(C)(C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000597173383 521554373 /nfs/dbraw/zinc/55/43/73/521554373.db2.gz MTCBMDGUBUOAKI-NSHDSACASA-N 1 0 360.357 2.904 20 5 FFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCCN(c2cc[nH+]cc2)CC1 ZINC000602844314 521566211 /nfs/dbraw/zinc/56/62/11/521566211.db2.gz AECPETVFUXHDHK-OAHLLOKOSA-N 1 0 369.425 2.529 20 5 FFBDRO CCO[C@H]1C[C@H]([NH2+]Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C1 ZINC000597190317 521566660 /nfs/dbraw/zinc/56/66/60/521566660.db2.gz CJYIIFPZHPCPFQ-HAQNSBGRSA-N 1 0 360.357 2.904 20 5 FFBDRO O=C1CC[C@H]2C[N@H+](Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)CC[C@@H]2N1 ZINC000597207819 521575122 /nfs/dbraw/zinc/57/51/22/521575122.db2.gz VTRRKYDXDPBJHP-YOEHRIQHSA-N 1 0 355.394 2.955 20 5 FFBDRO CCOC(=O)[C@]1(C)CCC[C@@H]1[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000597236198 521590358 /nfs/dbraw/zinc/59/03/58/521590358.db2.gz PBVUKDUFVIIZCY-FUHWJXTLSA-N 1 0 364.398 2.578 20 5 FFBDRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000619566921 521773177 /nfs/dbraw/zinc/77/31/77/521773177.db2.gz AFNYMYGTIBNPIP-QGZVFWFLSA-N 1 0 374.485 2.754 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000619638837 521805423 /nfs/dbraw/zinc/80/54/23/521805423.db2.gz CZPQJMONIXQSMU-UHFFFAOYSA-N 1 0 371.397 2.743 20 5 FFBDRO C[NH+]1CCC(N(C[C@@H](O)CC(C)(C)C)C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000619872315 521913383 /nfs/dbraw/zinc/91/33/83/521913383.db2.gz RZINVKNZJKNZKG-AWEZNQCLSA-N 1 0 367.446 2.521 20 5 FFBDRO O=[N+]([O-])c1ccc(NC[C@H](c2ccco2)[NH+]2CCCC2)cc1-c1nn[nH]n1 ZINC000826498960 607449509 /nfs/dbraw/zinc/44/95/09/607449509.db2.gz PVMACAOTVORASN-OAHLLOKOSA-N 1 0 369.385 2.617 20 5 FFBDRO Cc1c(C)c(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)ncc1[N+](=O)[O-] ZINC001164729002 720396138 /nfs/dbraw/zinc/39/61/38/720396138.db2.gz UQTKTTMJIOJYQB-IRXDYDNUSA-N 1 0 353.426 2.855 20 5 FFBDRO Cc1nc(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@@H]2C)ccc1[N+](=O)[O-] ZINC001164858490 720924946 /nfs/dbraw/zinc/92/49/46/720924946.db2.gz NNQMQDZRRWUMPW-AWEZNQCLSA-N 1 0 358.446 2.916 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Oc1cccc(-n2ccnc2)c1 ZINC000159003914 728898896 /nfs/dbraw/zinc/89/88/96/728898896.db2.gz WDWFBXHRNYYZQR-UHFFFAOYSA-N 1 0 359.363 2.857 20 5 FFBDRO C[C@@H]1CCC[N@@H+]1CCNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000744345423 735350911 /nfs/dbraw/zinc/35/09/11/735350911.db2.gz OIKCLZVCMDAGBE-GFCCVEGCSA-N 1 0 360.439 2.932 20 5 FFBDRO C[C@@H]1C[N@@H+](CCCNC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000043331372 727969025 /nfs/dbraw/zinc/96/90/25/727969025.db2.gz WNDKRKMYZGXEEE-TXEJJXNPSA-N 1 0 370.837 2.869 20 5 FFBDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000746565010 735494252 /nfs/dbraw/zinc/49/42/52/735494252.db2.gz BFRUBFDCNIFNQT-AWEZNQCLSA-N 1 0 369.849 2.821 20 5 FFBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000066139806 728166908 /nfs/dbraw/zinc/16/69/08/728166908.db2.gz GFAYXVLANPXFLG-SNVBAGLBSA-N 1 0 352.391 2.580 20 5 FFBDRO CCN(CC)[C@H](CNS(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccco1 ZINC000119661692 728598243 /nfs/dbraw/zinc/59/82/43/728598243.db2.gz HBNBPHBSYWRHBC-GFCCVEGCSA-N 1 0 373.456 2.611 20 5 FFBDRO CC[NH+](CC)CCC[C@@H](C)Nc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000123299564 728657185 /nfs/dbraw/zinc/65/71/85/728657185.db2.gz DPVCBWJEXZKHIT-GFCCVEGCSA-N 1 0 350.419 2.848 20 5 FFBDRO COc1cc(C[NH2+][C@@H](C)C[C@H](O)c2ccco2)c([N+](=O)[O-])cc1OC ZINC000130551651 728719423 /nfs/dbraw/zinc/71/94/23/728719423.db2.gz VRMMITFOOFJLAL-FZMZJTMJSA-N 1 0 350.371 2.807 20 5 FFBDRO CC[C@@](C)(CC(=O)OC)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000134111146 728728721 /nfs/dbraw/zinc/72/87/21/728728721.db2.gz DVRIVTOZHBLURV-HNNXBMFYSA-N 1 0 357.794 2.508 20 5 FFBDRO CC(C)C[N@H+](CCn1cc([N+](=O)[O-])cn1)C[C@H](O)c1ccc(F)cc1 ZINC000174867062 729081678 /nfs/dbraw/zinc/08/16/78/729081678.db2.gz UYWMNGYDZDPGGT-KRWDZBQOSA-N 1 0 350.394 2.622 20 5 FFBDRO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000906201145 736469420 /nfs/dbraw/zinc/46/94/20/736469420.db2.gz WDHAYHSLORBKRU-HOTGVXAUSA-N 1 0 351.834 2.924 20 5 FFBDRO CCC[N@H+](C)CC(C)(C)NC(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000856281721 730321091 /nfs/dbraw/zinc/32/10/91/730321091.db2.gz IKWXQZJPNLEVAT-UHFFFAOYSA-N 1 0 373.251 2.603 20 5 FFBDRO CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)C[C@@H]1[NH+](C)C ZINC000860447559 730512679 /nfs/dbraw/zinc/51/26/79/730512679.db2.gz QRVCDPQNTSUOBG-DLBZAZTESA-N 1 0 359.451 2.866 20 5 FFBDRO CS[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2Cl)C[C@H]1[NH+]1CCCC1 ZINC000860788839 730547536 /nfs/dbraw/zinc/54/75/36/730547536.db2.gz VJZPPTBYDXMMHN-KGLIPLIRSA-N 1 0 369.874 2.900 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000925139035 738481197 /nfs/dbraw/zinc/48/11/97/738481197.db2.gz JDIPKXYXUQBFHD-HIFRSBDPSA-N 1 0 350.444 2.605 20 5 FFBDRO C[N@H+](CC(=O)N[C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F)C1CCC1 ZINC000863926171 730816114 /nfs/dbraw/zinc/81/61/14/730816114.db2.gz SMLDIOJXTYOTOA-CQSZACIVSA-N 1 0 363.311 2.938 20 5 FFBDRO CC(C)[C@@H](C[NH+](C)C)NC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000865800550 730998961 /nfs/dbraw/zinc/99/89/61/730998961.db2.gz OHFJWYOBIBETBE-CYBMUJFWSA-N 1 0 372.263 2.602 20 5 FFBDRO CC(C)[C@H]([NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-])C(=O)N1CCCC1 ZINC000866297180 731047388 /nfs/dbraw/zinc/04/73/88/731047388.db2.gz TUVHFTHNUVWZKM-DYVFJYSZSA-N 1 0 351.422 2.902 20 5 FFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1ccc(S(C)(=O)=O)s1 ZINC000866345637 731050879 /nfs/dbraw/zinc/05/08/79/731050879.db2.gz ALIAFWHNXRSSMC-SNVBAGLBSA-N 1 0 372.443 2.920 20 5 FFBDRO C[C@H](C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)CC1(C)OCCO1 ZINC000866425144 731058771 /nfs/dbraw/zinc/05/87/71/731058771.db2.gz JPGMTAHTHXUSII-RRFJBIMHSA-N 1 0 352.435 2.654 20 5 FFBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H]1CCCCS1(=O)=O ZINC000872059659 731725148 /nfs/dbraw/zinc/72/51/48/731725148.db2.gz HCOAQSQBJOHHED-DGCLKSJQSA-N 1 0 358.485 2.935 20 5 FFBDRO C[NH2+]C[C@@H]1CCCCN1C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000925963035 738550263 /nfs/dbraw/zinc/55/02/63/738550263.db2.gz JMZCUQLKRXYXEK-NSHDSACASA-N 1 0 358.345 2.802 20 5 FFBDRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)C2 ZINC000873317264 731901070 /nfs/dbraw/zinc/90/10/70/731901070.db2.gz JEKYXEIQWTUHDM-LKFCYVNXSA-N 1 0 358.320 2.687 20 5 FFBDRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000874825157 732104140 /nfs/dbraw/zinc/10/41/40/732104140.db2.gz WZQRPJNHULKEAN-VXGBXAGGSA-N 1 0 368.231 2.666 20 5 FFBDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000874834509 732105607 /nfs/dbraw/zinc/10/56/07/732105607.db2.gz SFXIXUGLQUEWHR-UONOGXRCSA-N 1 0 357.332 2.922 20 5 FFBDRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000874838223 732106328 /nfs/dbraw/zinc/10/63/28/732106328.db2.gz OJLIFQPRFAEFHP-KBPBESRZSA-N 1 0 368.231 2.666 20 5 FFBDRO O=C(c1c(Br)cccc1[N+](=O)[O-])N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000876844021 732287137 /nfs/dbraw/zinc/28/71/37/732287137.db2.gz VXHNNHDSTWVUBP-HNNXBMFYSA-N 1 0 368.231 2.573 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000877355750 732348708 /nfs/dbraw/zinc/34/87/08/732348708.db2.gz BODAARBPIYLINO-NEPJUHHUSA-N 1 0 359.348 2.729 20 5 FFBDRO O=C(N[C@@]12CCC[C@H]1[NH2+]CC2)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000877390995 732356423 /nfs/dbraw/zinc/35/64/23/732356423.db2.gz HNNLMPLLXRFXQN-RHSMWYFYSA-N 1 0 358.423 2.733 20 5 FFBDRO O=C(N[C@]12CCC[C@@H]1[NH2+]CC2)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000877393092 732356762 /nfs/dbraw/zinc/35/67/62/732356762.db2.gz PCRNBCQZUJPUCZ-YOEHRIQHSA-N 1 0 358.423 2.733 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC000877436625 732361981 /nfs/dbraw/zinc/36/19/81/732361981.db2.gz VCGDEFSSAAIYQS-GFCCVEGCSA-N 1 0 359.348 2.712 20 5 FFBDRO NC(=O)Cc1cccc2c1CCN(Cc1ccc([N+](=O)[O-])c(Cl)c1)C2 ZINC000877679211 732411690 /nfs/dbraw/zinc/41/16/90/732411690.db2.gz AYCXZXFTNHCRBZ-UHFFFAOYSA-N 1 0 359.813 2.834 20 5 FFBDRO C[N@@H+]1CC[C@@H]2CN(Cc3cc(Br)c([N+](=O)[O-])s3)CC[C@H]21 ZINC000877741004 732421709 /nfs/dbraw/zinc/42/17/09/732421709.db2.gz MAAWBRCYEAPWDU-BXKDBHETSA-N 1 0 360.277 2.945 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CCC(CO)(CO)CC3)s2)cc1 ZINC000877798149 732434616 /nfs/dbraw/zinc/43/46/16/732434616.db2.gz ZCEUDHJNXBFCDQ-UHFFFAOYSA-N 1 0 362.451 2.890 20 5 FFBDRO C[NH+](C)C1CCN(Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CC1 ZINC000877958233 732457484 /nfs/dbraw/zinc/45/74/84/732457484.db2.gz ADUWZSQBZCGPTE-UHFFFAOYSA-N 1 0 365.821 2.824 20 5 FFBDRO C[NH+](C)C[C@H]1CCN(Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC000878104954 732482889 /nfs/dbraw/zinc/48/28/89/732482889.db2.gz SQOVXISPYHFRKZ-LLVKDONJSA-N 1 0 365.821 2.682 20 5 FFBDRO C[N@@H+]1CC[C@H]2CN(Cc3cccc([N+](=O)[O-])c3Br)CC[C@H]21 ZINC000879579078 732728608 /nfs/dbraw/zinc/72/86/08/732728608.db2.gz JOGUXXVIHKTPHR-WCQYABFASA-N 1 0 354.248 2.883 20 5 FFBDRO CO[C@H]1COCC[C@H]1[N@H+](C)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000880437536 732908217 /nfs/dbraw/zinc/90/82/17/732908217.db2.gz MMQLHCIJCCPMNS-OCCSQVGLSA-N 1 0 359.220 2.593 20 5 FFBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2C[C@H](O)C23CCOCC3)cc1[N+](=O)[O-] ZINC000927156069 738698048 /nfs/dbraw/zinc/69/80/48/738698048.db2.gz MRTLEZHDCMPFSM-ZLIFDBKOSA-N 1 0 350.415 2.574 20 5 FFBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]C[C@@H](CO)Cc2ccoc2)c1 ZINC000883269788 733357349 /nfs/dbraw/zinc/35/73/49/733357349.db2.gz WVWMIMVOVMDWFN-LBPRGKRZSA-N 1 0 356.325 2.730 20 5 FFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H](O)C(F)(F)C(F)(F)F ZINC000883362673 733373577 /nfs/dbraw/zinc/37/35/77/733373577.db2.gz KWHSWHLNUHCFPV-WRWORJQWSA-N 1 0 360.254 2.813 20 5 FFBDRO C[NH2+]C[C@H]1CCCCN1C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000883549852 733402337 /nfs/dbraw/zinc/40/23/37/733402337.db2.gz YLMNEEGUTZTTOD-LLVKDONJSA-N 1 0 371.235 2.963 20 5 FFBDRO COC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC(C)C)[C@H]1CCCOC1 ZINC000886907525 733855927 /nfs/dbraw/zinc/85/59/27/733855927.db2.gz DRZNXKYUGAELMF-WMLDXEAASA-N 1 0 352.431 2.913 20 5 FFBDRO Cc1sc(-c2ccccc2[N+](=O)[O-])nc1-c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000887486417 733935637 /nfs/dbraw/zinc/93/56/37/733935637.db2.gz OOEAESSAOZVNKP-LLVKDONJSA-N 1 0 356.411 2.820 20 5 FFBDRO C[NH+]1CCC2(CCN2C(=O)CCc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000889218649 734153713 /nfs/dbraw/zinc/15/37/13/734153713.db2.gz VEJYTMRPPDFICS-UHFFFAOYSA-N 1 0 351.834 2.878 20 5 FFBDRO CC[NH+]1CCC(NC(=O)Cc2ccc([N+](=O)[O-])cc2)(C(F)(F)F)CC1 ZINC000891205874 734395684 /nfs/dbraw/zinc/39/56/84/734395684.db2.gz COKJDTIFVQRVJR-UHFFFAOYSA-N 1 0 359.348 2.670 20 5 FFBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000891667357 734459495 /nfs/dbraw/zinc/45/94/95/734459495.db2.gz CIUOMPGTVKYFSZ-QGZVFWFLSA-N 1 0 366.849 2.923 20 5 FFBDRO C[C@]1(NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C[NH+]2CCC1CC2 ZINC000892765517 734601160 /nfs/dbraw/zinc/60/11/60/734601160.db2.gz FKGTWWOYYLILRS-HNNXBMFYSA-N 1 0 357.332 2.828 20 5 FFBDRO CN(c1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000733894196 734856802 /nfs/dbraw/zinc/85/68/02/734856802.db2.gz ZDJSKSQSCYCQRZ-HNNXBMFYSA-N 1 0 352.866 2.853 20 5 FFBDRO NC(=O)[C@@]1(c2ccccc2)CC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000894999359 734950108 /nfs/dbraw/zinc/95/01/08/734950108.db2.gz BOTZPBLYVLGAHA-SFHVURJKSA-N 1 0 359.813 2.877 20 5 FFBDRO COC(=O)c1cc(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)n(C)c1C ZINC000895646427 735036434 /nfs/dbraw/zinc/03/64/34/735036434.db2.gz KNHWEHLUYUQNBC-UHFFFAOYSA-N 1 0 351.790 2.972 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CCC12CC[NH+](C)CC2 ZINC000897134112 735196567 /nfs/dbraw/zinc/19/65/67/735196567.db2.gz WZLWSNJATOPGFJ-UHFFFAOYSA-N 1 0 353.806 2.709 20 5 FFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000897220407 735207999 /nfs/dbraw/zinc/20/79/99/735207999.db2.gz ASLDRYCVEADEEZ-QWHCGFSZSA-N 1 0 359.348 2.649 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+][C@H]2CCSC(C)(C)C2)cc1[N+](=O)[O-] ZINC000897794931 735277458 /nfs/dbraw/zinc/27/74/58/735277458.db2.gz KVJISPQVJYGMIU-ZDUSSCGKSA-N 1 0 368.455 2.910 20 5 FFBDRO CC(C)[C@@H]([NH3+])c1cn(Cc2cc([N+](=O)[O-])ccc2Br)nn1 ZINC000900595289 735665697 /nfs/dbraw/zinc/66/56/97/735665697.db2.gz DPSPMPQVCCMUBR-CYBMUJFWSA-N 1 0 354.208 2.653 20 5 FFBDRO CN(CC(=O)Nc1ccccc1Cl)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750037032 735767839 /nfs/dbraw/zinc/76/78/39/735767839.db2.gz OFDUCPBEBFZTBD-MRXNPFEDSA-N 1 0 363.801 2.852 20 5 FFBDRO O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000752103473 735957816 /nfs/dbraw/zinc/95/78/16/735957816.db2.gz QXJVZRPPGOKAEK-ZDUSSCGKSA-N 1 0 367.833 2.575 20 5 FFBDRO O=C(C[NH2+][C@H](CCO)c1cccs1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000754384940 736154271 /nfs/dbraw/zinc/15/42/71/736154271.db2.gz RZJDXRGPRDHJSK-CYBMUJFWSA-N 1 0 369.830 2.962 20 5 FFBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903719105 736159640 /nfs/dbraw/zinc/15/96/40/736159640.db2.gz VYFKJEWGPNMGBC-HNNXBMFYSA-N 1 0 353.850 2.839 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCSC2(CCC2)C1 ZINC000905600486 736367107 /nfs/dbraw/zinc/36/71/07/736367107.db2.gz LHSJLLLXOVTFJT-ZIAGYGMSSA-N 1 0 352.456 2.742 20 5 FFBDRO CC1(C)C[C@H](C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C(C)(C)O1 ZINC000905619120 736369810 /nfs/dbraw/zinc/36/98/10/736369810.db2.gz KOOULZYDMWFBOL-KGLIPLIRSA-N 1 0 352.431 2.518 20 5 FFBDRO O=C(C[N@@H+]1CCC[C@@H]2COCC[C@@H]21)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000756902168 736371706 /nfs/dbraw/zinc/37/17/06/736371706.db2.gz QMQHQNMSBBBVJB-RISCZKNCSA-N 1 0 353.806 2.688 20 5 FFBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000756944183 736375622 /nfs/dbraw/zinc/37/56/22/736375622.db2.gz YXFIBRGWGFPXDJ-ZDUSSCGKSA-N 1 0 352.822 2.532 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000757702267 736420921 /nfs/dbraw/zinc/42/09/21/736420921.db2.gz KPTYSHAVBGEFFN-LLVKDONJSA-N 1 0 353.806 2.709 20 5 FFBDRO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000906524157 736514086 /nfs/dbraw/zinc/51/40/86/736514086.db2.gz ULMDGVASQYUTOS-OAHLLOKOSA-N 1 0 351.834 2.878 20 5 FFBDRO Nc1c(Cl)cc(C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000906759705 736540990 /nfs/dbraw/zinc/54/09/90/736540990.db2.gz HVAOKLDPANSLHI-CYBMUJFWSA-N 1 0 366.849 2.921 20 5 FFBDRO O=C(C[NH2+][C@@H]1Cc2cccc(O)c2C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000759723110 736588631 /nfs/dbraw/zinc/58/86/31/736588631.db2.gz WEWWBUJBDMPWEI-GFCCVEGCSA-N 1 0 361.785 2.649 20 5 FFBDRO C[N@@H+]1CCCC12CCN(C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1)CC2 ZINC000907206831 736597008 /nfs/dbraw/zinc/59/70/08/736597008.db2.gz PCGAYAAZHPSIAY-UHFFFAOYSA-N 1 0 352.822 2.531 20 5 FFBDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)CCc3ccc([N+](=O)[O-])cc3Cl)C2)C1 ZINC000908362013 736764196 /nfs/dbraw/zinc/76/41/96/736764196.db2.gz GTDJVWPMQZOIGY-QGZVFWFLSA-N 1 0 351.834 2.735 20 5 FFBDRO [NH3+]CCc1ccc(CNC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000911735182 737228051 /nfs/dbraw/zinc/22/80/51/737228051.db2.gz STHBYUDEEVQJRA-UHFFFAOYSA-N 1 0 361.829 2.998 20 5 FFBDRO COc1cc(NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000766926630 737276270 /nfs/dbraw/zinc/27/62/70/737276270.db2.gz LVUXIBBCRXMCQN-BETUJISGSA-N 1 0 353.419 2.523 20 5 FFBDRO C[C@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000912651622 737328078 /nfs/dbraw/zinc/32/80/78/737328078.db2.gz XHWQBLVKBLWEER-RYUDHWBXSA-N 1 0 352.410 2.651 20 5 FFBDRO C[NH+](C)CCC[C@H]1CN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)CCO1 ZINC000912733210 737335498 /nfs/dbraw/zinc/33/54/98/737335498.db2.gz NPHDJIVEXXLVBG-LBPRGKRZSA-N 1 0 373.812 2.570 20 5 FFBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912911287 737356741 /nfs/dbraw/zinc/35/67/41/737356741.db2.gz FOHQQCWTZXWOJD-GFCCVEGCSA-N 1 0 355.847 2.647 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N2C[C@]3(C)C[N@@H+](C)C[C@]3(C)C2)c1F ZINC000913276684 737390234 /nfs/dbraw/zinc/39/02/34/737390234.db2.gz KTPIHWGXXKYUJM-CALCHBBNSA-N 1 0 353.369 2.595 20 5 FFBDRO COc1cc(NC2CC[NH+](C[C@@H]3CCCO3)CC2)c(F)cc1[N+](=O)[O-] ZINC000768482344 737425876 /nfs/dbraw/zinc/42/58/76/737425876.db2.gz ANCGSCQTXQUUMM-ZDUSSCGKSA-N 1 0 353.394 2.798 20 5 FFBDRO O=[N+]([O-])c1ccc(NCC2([NH+]3CCSCC3)CCCC2)c2nonc21 ZINC000915212484 737614882 /nfs/dbraw/zinc/61/48/82/737614882.db2.gz FWPKZNNEWCDINE-UHFFFAOYSA-N 1 0 363.443 2.905 20 5 FFBDRO CN(Cc1cc(Cl)ccc1[N+](=O)[O-])[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000774739900 738020487 /nfs/dbraw/zinc/02/04/87/738020487.db2.gz QHKPJAUJXFQWBB-KRWDZBQOSA-N 1 0 366.893 2.849 20 5 FFBDRO COC[C@@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)c(F)c1 ZINC000775385212 738089753 /nfs/dbraw/zinc/08/97/53/738089753.db2.gz JWKKXXOWYTWXMW-SJORKVTESA-N 1 0 352.337 2.884 20 5 FFBDRO C[N@H+](CCNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1)C1CCCCC1 ZINC000778243356 738366409 /nfs/dbraw/zinc/36/64/09/738366409.db2.gz KKHHRMPOBRLFPL-UHFFFAOYSA-N 1 0 363.443 2.594 20 5 FFBDRO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000930368683 739095234 /nfs/dbraw/zinc/09/52/34/739095234.db2.gz NMZLXUULBWWSMI-GFCCVEGCSA-N 1 0 351.834 2.781 20 5 FFBDRO COc1cc(CN2CC[C@H]([NH+](C)C)[C@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000931048069 739203782 /nfs/dbraw/zinc/20/37/82/739203782.db2.gz UYSJORSGQLKGOE-PWSUYJOCSA-N 1 0 359.373 2.729 20 5 FFBDRO C[C@]1([C@H]2CCC[N@H+](Cc3cc(Cl)ccc3[N+](=O)[O-])C2)COC(=O)N1 ZINC000932024288 739375298 /nfs/dbraw/zinc/37/52/98/739375298.db2.gz IEMTYIBALDGTQC-BLLLJJGKSA-N 1 0 353.806 2.959 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N(C)CC1CC[NH+](C)CC1 ZINC000790265925 739431013 /nfs/dbraw/zinc/43/10/13/739431013.db2.gz KSVZUXJDMAUNEA-UHFFFAOYSA-N 1 0 355.822 2.813 20 5 FFBDRO O=C(C[NH2+]C1([C@H]2CCCCO2)CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000933378221 739612644 /nfs/dbraw/zinc/61/26/44/739612644.db2.gz LGJGBTNYENGBGW-CQSZACIVSA-N 1 0 353.806 2.878 20 5 FFBDRO Cn1cc([C@@H]2CSCCC[N@@H+]2C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000933977133 739713432 /nfs/dbraw/zinc/71/34/32/739713432.db2.gz ZBLHOOCWULDPGF-DLBZAZTESA-N 1 0 362.455 2.542 20 5 FFBDRO COc1c[nH+]ccc1N1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000793371723 739775286 /nfs/dbraw/zinc/77/52/86/739775286.db2.gz WRCPXDOIEMAVTJ-UHFFFAOYSA-N 1 0 362.817 2.974 20 5 FFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(CN=[S@@](C)(=O)N(C)C)CC1 ZINC000934752718 739832186 /nfs/dbraw/zinc/83/21/86/739832186.db2.gz AHQDHAZWIPNOII-HWRSSNJWSA-N 1 0 368.503 2.942 20 5 FFBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000796434439 740143061 /nfs/dbraw/zinc/14/30/61/740143061.db2.gz LOVIJPTZGCIBNP-JSGCOSHPSA-N 1 0 366.849 2.745 20 5 FFBDRO Cc1ccc(C[NH2+]CCS(=O)(=O)CCc2ccccc2)cc1[N+](=O)[O-] ZINC000800311935 740511253 /nfs/dbraw/zinc/51/12/53/740511253.db2.gz ORLQWMSYFFLRHV-UHFFFAOYSA-N 1 0 362.451 2.650 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000800399567 740519227 /nfs/dbraw/zinc/51/92/27/740519227.db2.gz QFCHWWINZMEYGM-CVEARBPZSA-N 1 0 362.813 2.745 20 5 FFBDRO CCOC(=O)[C@]1(COC)CCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000801554916 740630009 /nfs/dbraw/zinc/63/00/09/740630009.db2.gz AKASMGLHXUOPQK-QGZVFWFLSA-N 1 0 354.378 2.526 20 5 FFBDRO CCCC[N@H+](C)C[C@H](C)NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000808353828 741218617 /nfs/dbraw/zinc/21/86/17/741218617.db2.gz GBHKAEWJUGJLQF-NSHDSACASA-N 1 0 363.867 2.647 20 5 FFBDRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000809916866 741360548 /nfs/dbraw/zinc/36/05/48/741360548.db2.gz WHQLSCLREGAYKI-GFCCVEGCSA-N 1 0 370.837 2.823 20 5 FFBDRO CC(C)C(N)=[NH+]OCc1cc(I)cc([N+](=O)[O-])c1 ZINC000809997584 741371262 /nfs/dbraw/zinc/37/12/62/741371262.db2.gz DCYVVXXLJVAZSX-UHFFFAOYSA-N 1 0 363.155 2.854 20 5 FFBDRO C[C@@H](C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])CN1CCOCC1 ZINC000811481432 741527887 /nfs/dbraw/zinc/52/78/87/741527887.db2.gz BBAFIILPFHCCCV-NSHDSACASA-N 1 0 362.257 2.960 20 5 FFBDRO C[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C[C@@]1(C)C[NH3+] ZINC000818006416 742228887 /nfs/dbraw/zinc/22/88/87/742228887.db2.gz HQIIIGIADMNQDJ-XLKFXECMSA-N 1 0 374.210 2.553 20 5 FFBDRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000818011319 742229807 /nfs/dbraw/zinc/22/98/07/742229807.db2.gz XTHNRXGWBBRFPA-ZBFHGGJFSA-N 1 0 367.833 2.607 20 5 FFBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N(C1CC1)C1CC[NH2+]CC1 ZINC000818559879 742279124 /nfs/dbraw/zinc/27/91/24/742279124.db2.gz SDKYEYIWZOVOFB-UHFFFAOYSA-N 1 0 355.797 2.673 20 5 FFBDRO C[C@H](COc1ccc(F)cc1F)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000818975260 742319024 /nfs/dbraw/zinc/31/90/24/742319024.db2.gz VIOBZMFBAYXSEB-BZNIZROVSA-N 1 0 352.337 2.964 20 5 FFBDRO CC1CCC2(CC1)OC[C@@H](C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)O2 ZINC000819215299 742355145 /nfs/dbraw/zinc/35/51/45/742355145.db2.gz HASAIPZVWJBFPD-NBIFXARBSA-N 1 0 350.415 2.540 20 5 FFBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H](O)c2ccc(F)cn2)cc(C(F)(F)F)c1 ZINC000819269242 742365551 /nfs/dbraw/zinc/36/55/51/742365551.db2.gz FXAQMRMYUQWCQV-CQSZACIVSA-N 1 0 359.279 2.971 20 5 FFBDRO CCC[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000822138806 742701884 /nfs/dbraw/zinc/70/18/84/742701884.db2.gz LKPCOTZBDRNDFP-LLVKDONJSA-N 1 0 371.235 2.963 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000822654791 742764537 /nfs/dbraw/zinc/76/45/37/742764537.db2.gz SHVBUPKHCPBIAG-LBPRGKRZSA-N 1 0 350.419 2.845 20 5 FFBDRO C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000822840623 742791207 /nfs/dbraw/zinc/79/12/07/742791207.db2.gz LUHQLQQYMGFFPT-UHFFFAOYSA-N 1 0 357.401 2.691 20 5 FFBDRO Cc1cc([C@@H]([NH3+])Cc2nc(CCC(C)(C)[N+](=O)[O-])no2)cc(Cl)n1 ZINC000823235602 742861263 /nfs/dbraw/zinc/86/12/63/742861263.db2.gz RKJYEOYYONBOAH-NSHDSACASA-N 1 0 353.810 2.657 20 5 FFBDRO CC(C)(C)OC(=O)N1CC2(C1)C[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)CO2 ZINC000827064321 743497432 /nfs/dbraw/zinc/49/74/32/743497432.db2.gz AYYBQSMEWWWDOH-GFCCVEGCSA-N 1 0 369.443 2.524 20 5 FFBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3)CC[C@H]21 ZINC000827300398 743551437 /nfs/dbraw/zinc/55/14/37/743551437.db2.gz MQXLNXZWLBHPBT-QMTHXVAHSA-N 1 0 368.231 2.524 20 5 FFBDRO O=[N+]([O-])c1ccc(C[N@H+](CCN2CCOCC2)CC2CC2)cc1Cl ZINC000827518687 743593040 /nfs/dbraw/zinc/59/30/40/743593040.db2.gz CAIYUQWRKGHVAR-UHFFFAOYSA-N 1 0 353.850 2.792 20 5 FFBDRO CO[C@@H]1[C@@H](C)[C@H]([NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1(C)C ZINC000831393301 745523892 /nfs/dbraw/zinc/52/38/92/745523892.db2.gz MSAQUCJXZLNRPQ-CIISACIHSA-N 1 0 353.394 2.712 20 5 FFBDRO CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)N[C@H](C)C[N@@H+](C)C(C)C ZINC000832907966 745766109 /nfs/dbraw/zinc/76/61/09/745766109.db2.gz CWRGWLMWCYZMGB-SNVBAGLBSA-N 1 0 370.837 2.665 20 5 FFBDRO CSc1ccc([C@@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])[NH+](C)C)cc1 ZINC000832932932 745766631 /nfs/dbraw/zinc/76/66/31/745766631.db2.gz DWXMYYVTFAIDHW-OAHLLOKOSA-N 1 0 353.488 2.963 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(F)c(C(=O)NCC2CC[NH+](C3CC3)CC2)c1F ZINC000834581438 745862356 /nfs/dbraw/zinc/86/23/56/745862356.db2.gz ZHHSMDNXXBQIIJ-UHFFFAOYSA-N 1 0 353.369 2.786 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(C(=O)NCC2(O)CC[NH+](C(C)C)CC2)cc1Cl ZINC000836764112 746300640 /nfs/dbraw/zinc/30/06/40/746300640.db2.gz GNVTUDAGIRCGJE-UHFFFAOYSA-N 1 0 369.849 2.522 20 5 FFBDRO CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)OCC[NH+]1CCCCC1 ZINC000838058353 746567673 /nfs/dbraw/zinc/56/76/73/746567673.db2.gz OBNCHQQKWRBRJJ-UHFFFAOYSA-N 1 0 369.805 2.849 20 5 FFBDRO C[N@H+](CCCCNC(=O)c1cccc([N+](=O)[O-])c1Br)C1CC1 ZINC000839440038 746828505 /nfs/dbraw/zinc/82/85/05/746828505.db2.gz ZSRTWJCXNHSZIU-UHFFFAOYSA-N 1 0 370.247 2.962 20 5 FFBDRO C[C@H]([NH3+])C1CCN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000841161083 747284384 /nfs/dbraw/zinc/28/43/84/747284384.db2.gz JEQITRWKKCZFMV-VIFPVBQESA-N 1 0 371.235 2.948 20 5 FFBDRO [NH3+][C@H]1CCC[C@H](NC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000841162245 747284907 /nfs/dbraw/zinc/28/49/07/747284907.db2.gz RKRBPUGGNVWKHQ-IUCAKERBSA-N 1 0 357.208 2.749 20 5 FFBDRO C[C@@H]1CN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C[C@@]1(C)C[NH3+] ZINC000841162288 747284935 /nfs/dbraw/zinc/28/49/35/747284935.db2.gz SGUZENDSWQPIJF-YMTOWFKASA-N 1 0 371.235 2.806 20 5 FFBDRO O=C([C@@H]1CC1[N+](=O)[O-])N(CCC[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000841256455 747309426 /nfs/dbraw/zinc/30/94/26/747309426.db2.gz XBGNFHSASRXHRR-HZPDHXFCSA-N 1 0 351.834 2.824 20 5 FFBDRO CN(CC[NH+](C)C)C(=O)N[C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC000841760114 747451633 /nfs/dbraw/zinc/45/16/33/747451633.db2.gz RANFIAIMJACFLB-GFCCVEGCSA-N 1 0 366.315 2.540 20 5 FFBDRO O=C(CN1CCCC[C@H]1[C@H]1CC[NH2+]C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000842474206 747612481 /nfs/dbraw/zinc/61/24/81/747612481.db2.gz JPLNHULHDUJAKV-WFASDCNBSA-N 1 0 366.849 2.651 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CCC[C@@H]1CC1(Cl)Cl ZINC000844276290 747995818 /nfs/dbraw/zinc/99/58/18/747995818.db2.gz DXQZZLSVBHQAIY-VXGBXAGGSA-N 1 0 363.241 2.898 20 5 FFBDRO Cc1c(CO)cc([N+](=O)[O-])c(NCCC[N@@H+](C)CC(C)C)c1[N+](=O)[O-] ZINC000845582562 748286243 /nfs/dbraw/zinc/28/62/43/748286243.db2.gz IDDISYQSOAKDCJ-UHFFFAOYSA-N 1 0 354.407 2.694 20 5 FFBDRO CCC(C)(C)[NH+]1CCN(C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CC1 ZINC000848303496 748896602 /nfs/dbraw/zinc/89/66/02/748896602.db2.gz XFYPAIOFUAMOJY-UHFFFAOYSA-N 1 0 363.443 2.546 20 5 FFBDRO CCN(C(=O)NCc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CC[N@H+](CC)C1 ZINC000853848382 750181375 /nfs/dbraw/zinc/18/13/75/750181375.db2.gz XTTJUFCKDGOTRT-AWEZNQCLSA-N 1 0 354.838 2.874 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)c1F ZINC000854427599 750306198 /nfs/dbraw/zinc/30/61/98/750306198.db2.gz ROBHRBXRJVFIBA-NWDGAFQWSA-N 1 0 353.369 2.880 20 5 FFBDRO C[C@]1(CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)CC[N@H+](Cc2ccccc2)C1 ZINC000312505810 971503007 /nfs/dbraw/zinc/50/30/07/971503007.db2.gz RIXGULDFJREROR-HXUWFJFHSA-N 1 0 368.437 2.819 20 5 FFBDRO Cn1cnc([N+](=O)[O-])c1N1CCC(c2ccccc2)([NH+]2CCCC2)CC1 ZINC000896839187 971831136 /nfs/dbraw/zinc/83/11/36/971831136.db2.gz XYVKXHXXPHENDW-UHFFFAOYSA-N 1 0 355.442 2.920 20 5 FFBDRO C[C@@H]1C[NH+](C(C)(C)CNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000254980112 959726001 /nfs/dbraw/zinc/72/60/01/959726001.db2.gz JZLRHLTVKVXBFE-IKQZUGGXSA-N 1 0 361.442 2.612 20 5 FFBDRO CCOCC[NH+]1CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1 ZINC000134805120 960012723 /nfs/dbraw/zinc/01/27/23/960012723.db2.gz WVRMGUPLTJRGIT-UHFFFAOYSA-N 1 0 356.426 2.815 20 5 FFBDRO C[C@H]1C[C@@H](NC(=O)Cc2ccccc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000134940094 960559652 /nfs/dbraw/zinc/55/96/52/960559652.db2.gz FTDYDGGAQKIUSB-MAUKXSAKSA-N 1 0 353.422 2.917 20 5 FFBDRO COC(=O)c1cnc(N2CCC(C)([NH+]3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000872664000 1013244862 /nfs/dbraw/zinc/24/48/62/1013244862.db2.gz PVZRFWCHPWEHHT-UHFFFAOYSA-N 1 0 362.430 2.621 20 5 FFBDRO Cc1c(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000175828930 961795008 /nfs/dbraw/zinc/79/50/08/961795008.db2.gz KEMKIDDXVAPDHN-LBPRGKRZSA-N 1 0 366.418 2.826 20 5 FFBDRO [NH3+]CC1(N(Cc2ccccc2)c2nccc3c2cccc3[N+](=O)[O-])COC1 ZINC001167365412 962373538 /nfs/dbraw/zinc/37/35/38/962373538.db2.gz UZIQGBYKFSTRHV-UHFFFAOYSA-N 1 0 364.405 2.877 20 5 FFBDRO COc1ccc(OC)c([C@@H](O)[C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2F)c1 ZINC000873196047 1013420382 /nfs/dbraw/zinc/42/03/82/1013420382.db2.gz QNPAJTRTOPZLTG-ZMZPIMSZSA-N 1 0 364.373 2.963 20 5 FFBDRO CN(C(=O)C[NH2+][C@]1(C)CCOc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000933371546 964238639 /nfs/dbraw/zinc/23/86/39/964238639.db2.gz RQWGRNFJPUGDSS-LJQANCHMSA-N 1 0 355.394 2.845 20 5 FFBDRO O=C(NCCC1CC[NH+](Cc2ccccc2Cl)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001270111726 964698841 /nfs/dbraw/zinc/69/88/41/964698841.db2.gz UOSJWVRCUDIKPJ-NVXWUHKLSA-N 1 0 365.861 2.724 20 5 FFBDRO O=[N+]([O-])c1cnc2ccc(F)cc2c1N1CCN(Cc2cccnc2)CC1 ZINC000891652557 964733494 /nfs/dbraw/zinc/73/34/94/964733494.db2.gz ARJAZNAPNADYBX-UHFFFAOYSA-N 1 0 367.384 2.999 20 5 FFBDRO C[C@@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1cc2cnccc2o1 ZINC001175639104 1013519278 /nfs/dbraw/zinc/51/92/78/1013519278.db2.gz VTUHJYAQZKTMDH-GFCCVEGCSA-N 1 0 366.377 2.976 20 5 FFBDRO Cn1c2ccccc2c(N2CCC[C@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])c1=O ZINC000891889197 965337452 /nfs/dbraw/zinc/33/74/52/965337452.db2.gz JNEDNTCTYIUYGB-AWEZNQCLSA-N 1 0 356.426 2.511 20 5 FFBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)N3CC[C@H](C4CC4)C3)c2)CC1 ZINC000934046096 965542871 /nfs/dbraw/zinc/54/28/71/965542871.db2.gz YAKZJZAJRPMFTL-HNNXBMFYSA-N 1 0 373.457 2.610 20 5 FFBDRO CC(C)OC(=O)C1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC001176264171 1013672915 /nfs/dbraw/zinc/67/29/15/1013672915.db2.gz UWHRNNFXSHKJLI-UHFFFAOYSA-N 1 0 363.414 2.587 20 5 FFBDRO Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C[NH+](C)C)c(C(F)(F)F)c2)n1 ZINC000894985608 967146020 /nfs/dbraw/zinc/14/60/20/967146020.db2.gz KZBGHGVGGNFQBG-UHFFFAOYSA-N 1 0 371.319 2.661 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H]1c1ccnn1C ZINC001176517364 1013721016 /nfs/dbraw/zinc/72/10/16/1013721016.db2.gz VSXPZVIDYOWYIA-INIZCTEOSA-N 1 0 373.413 2.503 20 5 FFBDRO COc1c(O)ccc(C[N@H+](C)C[C@@]2(O)CCc3ccccc32)c1[N+](=O)[O-] ZINC000895091330 967532222 /nfs/dbraw/zinc/53/22/22/967532222.db2.gz UTVJGXWZEJWALJ-IBGZPJMESA-N 1 0 358.394 2.575 20 5 FFBDRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000895276561 968925865 /nfs/dbraw/zinc/92/58/65/968925865.db2.gz WWCSKNKDMTVLBU-LLVKDONJSA-N 1 0 362.336 2.619 20 5 FFBDRO C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C[N@@H+]1C1CC1 ZINC000177132628 969061062 /nfs/dbraw/zinc/06/10/62/969061062.db2.gz DIXHNCBAMZVSOI-CABCVRRESA-N 1 0 372.469 2.940 20 5 FFBDRO Cc1ccc(CNC(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000892537121 969403949 /nfs/dbraw/zinc/40/39/49/969403949.db2.gz OJBIZNGHRZNZDK-SJORKVTESA-N 1 0 360.458 2.967 20 5 FFBDRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000874827008 1013910614 /nfs/dbraw/zinc/91/06/14/1013910614.db2.gz AGCGJLCENFUWCS-UXHICEINSA-N 1 0 361.445 2.990 20 5 FFBDRO CC[C@H](C(=O)[O-])[N@H+](C)CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001603498505 973456766 /nfs/dbraw/zinc/45/67/66/973456766.db2.gz JEGSCXDIOUUGIZ-GOSISDBHSA-N 1 0 363.458 2.644 20 5 FFBDRO CN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C(C)(C)C[NH+]1CCCC1 ZINC000842170500 976693030 /nfs/dbraw/zinc/69/30/30/976693030.db2.gz HJGUXNDHIGWOKY-UHFFFAOYSA-N 1 0 366.437 2.869 20 5 FFBDRO O=C([C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)N1CCCN(c2cc[nH+]cc2)CC1 ZINC000899174992 976993176 /nfs/dbraw/zinc/99/31/76/976993176.db2.gz OMAGNGHQIUUCSC-RTBURBONSA-N 1 0 366.421 2.832 20 5 FFBDRO Cc1ccc(C[N@@H+]2C[C@@]3(C)CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C[C@@]3(C)C2)cc1C ZINC000982278392 977375949 /nfs/dbraw/zinc/37/59/49/977375949.db2.gz ANUHMFDITDZVMM-UKAVVXHISA-N 1 0 371.481 2.639 20 5 FFBDRO O=C(c1ccc(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)cc1)N1CCCC1 ZINC000876879905 1014408677 /nfs/dbraw/zinc/40/86/77/1014408677.db2.gz DVYWLSDASQIMMU-UHFFFAOYSA-N 1 0 369.425 2.521 20 5 FFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CC3(c4ccc(F)cc4)CCOCC3)C2)c1 ZINC000876963913 1014435430 /nfs/dbraw/zinc/43/54/30/1014435430.db2.gz KRVIQZHIIUTJAU-UHFFFAOYSA-N 1 0 374.416 2.972 20 5 FFBDRO Cc1n[nH]cc1CCC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000261721434 977936002 /nfs/dbraw/zinc/93/60/02/977936002.db2.gz WXBPATZTOIEKPB-UHFFFAOYSA-N 1 0 354.414 2.749 20 5 FFBDRO COc1cccc(N2CC[C@H](C[NH2+]C3CC(n4cc([N+](=O)[O-])cn4)C3)C2)c1 ZINC000876998534 1014445208 /nfs/dbraw/zinc/44/52/08/1014445208.db2.gz JCSZFSIHGGACOO-HPUBIQBYSA-N 1 0 371.441 2.620 20 5 FFBDRO COc1ccc(COCCC[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000877006308 1014446747 /nfs/dbraw/zinc/44/67/47/1014446747.db2.gz ZUETVBJVTAPYPC-UHFFFAOYSA-N 1 0 360.414 2.700 20 5 FFBDRO CC[C@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)[C@@H](O)c1c(F)cccc1F ZINC000877064117 1014465823 /nfs/dbraw/zinc/46/58/23/1014465823.db2.gz NEQDOGRBLMHQSI-ONKURQJQSA-N 1 0 366.368 2.875 20 5 FFBDRO Cc1cc(NC(=O)C2CC[NH+](C(C)C)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC001268854581 978417387 /nfs/dbraw/zinc/41/73/87/978417387.db2.gz YYTFPWCYBNWXRH-UHFFFAOYSA-N 1 0 356.426 2.932 20 5 FFBDRO [NH3+]C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)C[C@@H]1C(F)(F)F ZINC000877356531 1014560902 /nfs/dbraw/zinc/56/09/02/1014560902.db2.gz SFSMYYKKRKPVMR-NHYWBVRUSA-N 1 0 367.327 2.957 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CC[C@H]2CCC3(CCOCC3)CO2)cc1 ZINC000905474878 980442426 /nfs/dbraw/zinc/44/24/26/980442426.db2.gz WPGMENAVMHPDQV-MSOLQXFVSA-N 1 0 364.442 2.584 20 5 FFBDRO C[C@]1(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCOC2(CCC2)C1 ZINC000905493069 980457120 /nfs/dbraw/zinc/45/71/20/980457120.db2.gz QRLXMXMPMIOTMF-AEFFLSMTSA-N 1 0 364.442 2.664 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CCc1cnc2ccccc2c1 ZINC000905567034 980467100 /nfs/dbraw/zinc/46/71/00/980467100.db2.gz XEWISQDOJBPBST-KRWDZBQOSA-N 1 0 367.405 2.715 20 5 FFBDRO CC1(c2ccc(C[NH2+]C3CC(n4cc([N+](=O)[O-])cn4)C3)cc2)OCCO1 ZINC000877668711 1014668655 /nfs/dbraw/zinc/66/86/55/1014668655.db2.gz TUWYOWYKIPEVGK-UHFFFAOYSA-N 1 0 358.398 2.504 20 5 FFBDRO Cc1nccn1-c1cc[nH+]cc1NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC001116065595 1032101939 /nfs/dbraw/zinc/10/19/39/1032101939.db2.gz AMJCRTVRUBOPQU-UHFFFAOYSA-N 1 0 366.381 2.925 20 5 FFBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC000908251008 981399812 /nfs/dbraw/zinc/39/98/12/981399812.db2.gz UALMZBBQAJDFGQ-ZDUSSCGKSA-N 1 0 365.430 2.606 20 5 FFBDRO CC(C)[NH2+]C1(CO)CCN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)CC1 ZINC000908610120 981476537 /nfs/dbraw/zinc/47/65/37/981476537.db2.gz LVJISLIPVFGYOD-UHFFFAOYSA-N 1 0 371.437 2.713 20 5 FFBDRO Cc1ccc(NC(=O)N2CCC[C@@H]([NH2+]C3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000877902454 1014757880 /nfs/dbraw/zinc/75/78/80/1014757880.db2.gz ALGJPAGDRDOAGM-MRXNPFEDSA-N 1 0 362.430 2.668 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)[C@@H](C)C1 ZINC000878259043 1014952851 /nfs/dbraw/zinc/95/28/51/1014952851.db2.gz XYNQIUFVOSGHPH-DZGCQCFKSA-N 1 0 359.430 2.807 20 5 FFBDRO O=C(NCCNc1ccccc1[N+](=O)[O-])[C@@H]1CCCCC12CC[NH2+]CC2 ZINC000912113612 983959601 /nfs/dbraw/zinc/95/96/01/983959601.db2.gz OPMBLRPRXTUTJJ-HNNXBMFYSA-N 1 0 360.458 2.683 20 5 FFBDRO CNc1ccc(C(=O)Nc2c[nH+]ccc2-n2ccnc2C)cc1[N+](=O)[O-] ZINC001116071136 1032108169 /nfs/dbraw/zinc/10/81/69/1032108169.db2.gz RDUFXDOUXFQVRN-UHFFFAOYSA-N 1 0 352.354 2.778 20 5 FFBDRO C[C@@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000138831323 984440288 /nfs/dbraw/zinc/44/02/88/984440288.db2.gz NYJMIMRMVKAMEF-KBPBESRZSA-N 1 0 367.450 2.559 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]Cc3nnc4n3CCCCC4)CC2)cc1 ZINC000764608245 984590892 /nfs/dbraw/zinc/59/08/92/984590892.db2.gz OCWVZARGRPCQMU-UHFFFAOYSA-N 1 0 370.457 2.671 20 5 FFBDRO CCC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CC1 ZINC000061031402 985115538 /nfs/dbraw/zinc/11/55/38/985115538.db2.gz PPSKBSNDZIALAA-UHFFFAOYSA-N 1 0 360.458 2.799 20 5 FFBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878605193 1015127765 /nfs/dbraw/zinc/12/77/65/1015127765.db2.gz FNJPHEFFFWGDOR-ZIAGYGMSSA-N 1 0 357.414 2.703 20 5 FFBDRO Cc1cc(F)cc(C(=O)NCCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000151753652 986843933 /nfs/dbraw/zinc/84/39/33/986843933.db2.gz QQENBAVBCRWJEO-OKILXGFUSA-N 1 0 367.421 2.662 20 5 FFBDRO O=C1[C@@H]([N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CCN1C1CCOCC1 ZINC000451552140 987441142 /nfs/dbraw/zinc/44/11/42/987441142.db2.gz VSWOYOLTRWQJAF-LPHOPBHVSA-N 1 0 373.453 2.554 20 5 FFBDRO Cn1cc(C[NH2+]C[C@@H]2C=C[C@H]3C[C@@H]2CO3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000922722159 988848003 /nfs/dbraw/zinc/84/80/03/988848003.db2.gz CUCBNKOADCOKTM-DAYGRLMNSA-N 1 0 354.410 2.676 20 5 FFBDRO COc1cccc(C(=O)N2CC[NH+](CC3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000194166630 989173256 /nfs/dbraw/zinc/17/32/56/989173256.db2.gz RBFDGJNFIFUUKK-UHFFFAOYSA-N 1 0 361.442 2.942 20 5 FFBDRO CC(C)[C@@H](C)NC(=O)C1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000153833655 989735146 /nfs/dbraw/zinc/73/51/46/989735146.db2.gz YZRXDZBDYNQQOR-RDTXWAMCSA-N 1 0 363.458 2.501 20 5 FFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154229743 990068347 /nfs/dbraw/zinc/06/83/47/990068347.db2.gz QYNKGWKWXNQMIG-UZLBHIALSA-N 1 0 355.438 2.835 20 5 FFBDRO CCC[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000174847718 990247487 /nfs/dbraw/zinc/24/74/87/990247487.db2.gz ZJDQTTRAEGYMOV-CQSZACIVSA-N 1 0 367.450 2.513 20 5 FFBDRO O=C(NC[C@H]1CC[C@H](C[NH2+]C/C=C/c2ccccc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001484394820 991561245 /nfs/dbraw/zinc/56/12/45/991561245.db2.gz RMBSNHXPIBIREW-ILAPHIRHSA-N 1 0 371.481 2.877 20 5 FFBDRO Cc1cc(C(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)c(N)c([N+](=O)[O-])c1 ZINC000072097679 992753469 /nfs/dbraw/zinc/75/34/69/992753469.db2.gz LTLQYPRUNIRCQG-KRWDZBQOSA-N 1 0 362.474 2.972 20 5 FFBDRO Nc1ccc(OC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1[N+](=O)[O-] ZINC000809994747 994660638 /nfs/dbraw/zinc/66/06/38/994660638.db2.gz FVWRZHVFOKOFKG-KRWDZBQOSA-N 1 0 357.410 2.847 20 5 FFBDRO CCOc1ccc(C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)cc1[N+](=O)[O-] ZINC001132171780 994741001 /nfs/dbraw/zinc/74/10/01/994741001.db2.gz RCGOMQMMCWSVIB-UHFFFAOYSA-N 1 0 373.413 2.709 20 5 FFBDRO COc1cc([N+](=O)[O-])cnc1NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001132747132 995102156 /nfs/dbraw/zinc/10/21/56/995102156.db2.gz AOYHJUPRKLVLSX-OAHLLOKOSA-N 1 0 370.409 2.849 20 5 FFBDRO C[C@H]([NH3+])c1ncc(-c2ccccc2)n1-c1c[n+]([O-])c(Cl)cc1[N+](=O)[O-] ZINC001170679766 995469254 /nfs/dbraw/zinc/46/92/54/995469254.db2.gz VULKBFCJXQJDTI-JTQLQIEISA-N 1 0 359.773 2.754 20 5 FFBDRO Nc1ccc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1[N+](=O)[O-] ZINC000823972906 996770146 /nfs/dbraw/zinc/77/01/46/996770146.db2.gz BEFQSXRBSWAFPD-LRDDRELGSA-N 1 0 359.430 2.658 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]([C@@H](CO)C3CC3)C3CC3)CC2)cc1 ZINC000824846189 997125006 /nfs/dbraw/zinc/12/50/06/997125006.db2.gz QDVXRPJYFBCPHD-VQTJNVASSA-N 1 0 359.470 2.950 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000824981949 997168025 /nfs/dbraw/zinc/16/80/25/997168025.db2.gz GILRDKJNJMVPSC-UHFFFAOYSA-N 1 0 361.442 2.539 20 5 FFBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000825124335 997223848 /nfs/dbraw/zinc/22/38/48/997223848.db2.gz NQWZFYFMVFLMPV-RKVPGOIHSA-N 1 0 363.458 2.503 20 5 FFBDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000825393747 997360339 /nfs/dbraw/zinc/36/03/39/997360339.db2.gz KOMGUPJLSRQRQR-CKEIUWERSA-N 1 0 363.458 2.501 20 5 FFBDRO CCCCCC[N@H+](C)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000731864012 998310365 /nfs/dbraw/zinc/31/03/65/998310365.db2.gz LJDUMDRBASTIAN-UHFFFAOYSA-N 1 0 362.474 2.756 20 5 FFBDRO COc1cc(CN2CCC[C@H]3CC[C@]32C[NH3+])c([N+](=O)[O-])cc1OC(F)F ZINC000903796581 1016204701 /nfs/dbraw/zinc/20/47/01/1016204701.db2.gz ALNUWHPJTLXLSV-SJCJKPOMSA-N 1 0 371.384 2.908 20 5 FFBDRO C[C@@H](C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[NH+]1CCCCCC1 ZINC000733873783 999092257 /nfs/dbraw/zinc/09/22/57/999092257.db2.gz XVVZWYYHRSSGRC-INIZCTEOSA-N 1 0 360.458 2.508 20 5 FFBDRO O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1CN1CCC[C@@]2(CC=CCC2)C1 ZINC000733992276 999168381 /nfs/dbraw/zinc/16/83/81/999168381.db2.gz NWQUSQSKEODPDF-IBGZPJMESA-N 1 0 355.394 2.971 20 5 FFBDRO C[C@H]1CCCCC[N@@H+]1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000734001237 999170525 /nfs/dbraw/zinc/17/05/25/999170525.db2.gz NYBCGDBOIHHITA-INIZCTEOSA-N 1 0 360.458 2.508 20 5 FFBDRO O=C(C[C@@H]1CN(Cc2ccccc2)CCO1)OCc1ccc([N+](=O)[O-])cc1 ZINC000741346846 999723016 /nfs/dbraw/zinc/72/30/16/999723016.db2.gz MPJBGINVSGYXMF-LJQANCHMSA-N 1 0 370.405 2.929 20 5 FFBDRO Nc1ccc(C(=O)NC2CC[NH+](CC3CCCCC3)CC2)cc1[N+](=O)[O-] ZINC000744030035 999840718 /nfs/dbraw/zinc/84/07/18/999840718.db2.gz UUCDXCXSRKTPSW-UHFFFAOYSA-N 1 0 360.458 2.952 20 5 FFBDRO [NH3+]Cc1cccc(-c2nnn(-c3cc(Cl)ccc3/C=C/[N+](=O)[O-])n2)c1 ZINC001168887950 1000006873 /nfs/dbraw/zinc/00/68/73/1000006873.db2.gz PJNNUTLQSIYLNM-VOTSOKGWSA-N 1 0 356.773 2.689 20 5 FFBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C2(c3ccc(Br)cc3)COC2)C1 ZINC001168976022 1000012092 /nfs/dbraw/zinc/01/20/92/1000012092.db2.gz YHSRHPGYTHNGOJ-BXUZGUMPSA-N 1 0 355.232 2.710 20 5 FFBDRO O=C(c1ccccc1F)N1CCC(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168991412 1000013712 /nfs/dbraw/zinc/01/37/12/1000013712.db2.gz GSUJJOUKRPUYRB-CVEARBPZSA-N 1 0 363.433 2.713 20 5 FFBDRO COc1cnc(-n2c(CCC[NH3+])nc3ccc(Cl)cc32)cc1[N+](=O)[O-] ZINC001168992658 1000014032 /nfs/dbraw/zinc/01/40/32/1000014032.db2.gz BCVKUWDGTAOLFP-UHFFFAOYSA-N 1 0 361.789 2.882 20 5 FFBDRO CC(C)(C)OC(=O)N1CCC[C@@H]2C[N@@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@@H]21 ZINC001169010287 1000015440 /nfs/dbraw/zinc/01/54/40/1000015440.db2.gz CFLZMLIHLKPAHY-FZKCQIBNSA-N 1 0 353.463 2.763 20 5 FFBDRO COC(=O)c1ccc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)c(Br)c1 ZINC001168987024 1000015825 /nfs/dbraw/zinc/01/58/25/1000015825.db2.gz HEKNEBUIKHWXNF-GWCFXTLKSA-N 1 0 371.231 2.771 20 5 FFBDRO COc1ccc(N2C[C@]3(CC[N@@H+]([C@@H]4CC[C@@H](C[N+](=O)[O-])C4)C3)CC2=O)cc1 ZINC001169019016 1000017425 /nfs/dbraw/zinc/01/74/25/1000017425.db2.gz GBCSMECDRHFJBD-WRWLIDTKSA-N 1 0 373.453 2.569 20 5 FFBDRO Cc1cccc(N2C[C@]3(CC[N@@H+]([C@@H]4CC[C@H](C[N+](=O)[O-])C4)C3)CC2=O)c1 ZINC001169020011 1000017620 /nfs/dbraw/zinc/01/76/20/1000017620.db2.gz HMWCLFIDEQDHFD-SQGPQFPESA-N 1 0 357.454 2.869 20 5 FFBDRO CN(CC[NH+]1CCCCC1)C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000846612695 1000393722 /nfs/dbraw/zinc/39/37/22/1000393722.db2.gz OBVCJLXWVODBAG-UHFFFAOYSA-N 1 0 360.458 2.753 20 5 FFBDRO [NH3+]CC12CCC(CC1)CN2C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000846680723 1000407510 /nfs/dbraw/zinc/40/75/10/1000407510.db2.gz KTWBOWGDWBZDGT-UHFFFAOYSA-N 1 0 358.442 2.539 20 5 FFBDRO CCC(C)(C)[NH+]1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000847039766 1000529520 /nfs/dbraw/zinc/52/95/20/1000529520.db2.gz ILNKPAMMVFEENR-UHFFFAOYSA-N 1 0 366.437 2.869 20 5 FFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]Cc1cccc2c1OCCO2 ZINC000772982535 1000913824 /nfs/dbraw/zinc/91/38/24/1000913824.db2.gz JIDYXBADGIYBMV-ZDUSSCGKSA-N 1 0 371.393 2.873 20 5 FFBDRO Cc1cc(C(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)c(N)c([N+](=O)[O-])c1 ZINC000771598402 1001154519 /nfs/dbraw/zinc/15/45/19/1001154519.db2.gz XSDLIICZCRORQV-FZKQIMNGSA-N 1 0 356.426 2.907 20 5 FFBDRO Cc1c(COC(=O)CC2([NH+]3CCOCC3)CCCC2)cccc1[N+](=O)[O-] ZINC000786095379 1001527523 /nfs/dbraw/zinc/52/75/23/1001527523.db2.gz BTXXCUWKQBNEBZ-UHFFFAOYSA-N 1 0 362.426 2.982 20 5 FFBDRO C[N@@H+]1CCCC[C@@H]1CCOC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000786787014 1001626885 /nfs/dbraw/zinc/62/68/85/1001626885.db2.gz JMYQMUCYPCWWCM-CQSZACIVSA-N 1 0 373.409 2.939 20 5 FFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC000774398798 1001896920 /nfs/dbraw/zinc/89/69/20/1001896920.db2.gz ICKQGNSZUAQQIQ-SJCJKPOMSA-N 1 0 361.373 2.774 20 5 FFBDRO CC(C)(O)CN1CC[C@H]([NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC001183268575 1002220207 /nfs/dbraw/zinc/22/02/07/1002220207.db2.gz HMNFEZKWSGUWPN-NJAFHUGGSA-N 1 0 361.486 2.741 20 5 FFBDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc(C)c2F)C1 ZINC000790813010 1002483087 /nfs/dbraw/zinc/48/30/87/1002483087.db2.gz JHKALLNYXIAPHA-HNNXBMFYSA-N 1 0 367.421 2.615 20 5 FFBDRO CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNc2nc(-c3ccccc3)ccc2[N+](=O)[O-])O1 ZINC001170273549 1003085108 /nfs/dbraw/zinc/08/51/08/1003085108.db2.gz RMGIIEUHZARBDR-ZHALLVOQSA-N 1 0 372.425 2.794 20 5 FFBDRO O=[N+]([O-])c1cc[n+]([O-])cc1N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001170333726 1003117789 /nfs/dbraw/zinc/11/77/89/1003117789.db2.gz UZHWREMFUDDAGT-OSYLJGHBSA-N 1 0 354.410 2.836 20 5 FFBDRO COC(=O)[C@@H]1C[C@H]([NH2+][C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1(C)C ZINC001170307854 1003119718 /nfs/dbraw/zinc/11/97/18/1003119718.db2.gz JBLPCHCMECCFQP-WPGHFRTFSA-N 1 0 350.415 2.712 20 5 FFBDRO COC(=O)C[C@@H]1CCC[N@@H+]([C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170352680 1003120954 /nfs/dbraw/zinc/12/09/54/1003120954.db2.gz QCYBNLMULHDCTR-KGLIPLIRSA-N 1 0 350.415 2.810 20 5 FFBDRO COC(=O)[C@H]1C[C@H]2C[C@@H](C1)[N@@H+]([C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])C2 ZINC001170353110 1003121335 /nfs/dbraw/zinc/12/13/35/1003121335.db2.gz VXFZRYKWLWLLJO-SDADXPQNSA-N 1 0 362.426 2.808 20 5 FFBDRO COc1ccc(C[C@@H](C)[N@H+](C(C)C)[C@@H]2CCN(C(C)=O)C2)c([N+](=O)[O-])c1 ZINC001170354650 1003121725 /nfs/dbraw/zinc/12/17/25/1003121725.db2.gz NMDSRKDFAOHRGN-RHSMWYFYSA-N 1 0 363.458 2.866 20 5 FFBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NCC[N@H+]2CC=CCC2)CC1 ZINC000794120239 1003569665 /nfs/dbraw/zinc/56/96/65/1003569665.db2.gz XXRBOXJQGGYEMY-UHFFFAOYSA-N 1 0 372.469 2.823 20 5 FFBDRO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)Nc1ccc(N)cc1[N+](=O)[O-] ZINC000804499483 1003704842 /nfs/dbraw/zinc/70/48/42/1003704842.db2.gz FCXRWZAAIANYHY-HNNXBMFYSA-N 1 0 355.442 2.800 20 5 FFBDRO COc1c[nH+]ccc1N1CCN(c2ccc([N+](=O)[O-])cc2C(C)=O)CC1 ZINC000804682452 1003780655 /nfs/dbraw/zinc/78/06/55/1003780655.db2.gz OGEWHJRSIXSYQC-UHFFFAOYSA-N 1 0 356.382 2.528 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCC(O)(Cc3ccc(F)cc3)CC2)c1 ZINC000775750276 1004019977 /nfs/dbraw/zinc/01/99/77/1004019977.db2.gz LDNIPDOKHTZEMI-LJQANCHMSA-N 1 0 374.412 2.837 20 5 FFBDRO Cn1cc([C@@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)c2ccc(F)cc2)cn1 ZINC000775753980 1004027542 /nfs/dbraw/zinc/02/75/42/1004027542.db2.gz ZOGPIZWTEULGEE-OALUTQOASA-N 1 0 370.384 2.880 20 5 FFBDRO CC[C@H](C)[NH2+][C@@H](CNC(=O)c1cc(C)cc([N+](=O)[O-])c1N)c1ccco1 ZINC000807680355 1004661040 /nfs/dbraw/zinc/66/10/40/1004661040.db2.gz PGRDYJGHLZSGFH-JSGCOSHPSA-N 1 0 360.414 2.938 20 5 FFBDRO COc1ccc(NC(=O)CN2CCCC[C@]23CCCOC3)c([N+](=O)[O-])c1 ZINC001198820299 1004749252 /nfs/dbraw/zinc/74/92/52/1004749252.db2.gz IXELBLDFGUFTTK-GOSISDBHSA-N 1 0 363.414 2.577 20 5 FFBDRO C[N@@H+](Cc1ccccc1CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC1CCCCC1 ZINC001050244090 1016929135 /nfs/dbraw/zinc/92/91/35/1016929135.db2.gz KFLZQCHHERIBDO-RTBURBONSA-N 1 0 359.470 2.980 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)CN2CCC[N@H+](Cc3ccccc3)CC2)cc1 ZINC000776274117 1005341095 /nfs/dbraw/zinc/34/10/95/1005341095.db2.gz GEWYUKWEYJWUKB-HXUWFJFHSA-N 1 0 355.438 2.836 20 5 FFBDRO Cc1cc(F)ccc1C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001050325587 1016968592 /nfs/dbraw/zinc/96/85/92/1016968592.db2.gz IVPZVSUOOVCHDQ-BNEJOLLZSA-N 1 0 363.433 2.564 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H](O)COc1cccc(F)c1 ZINC000850427577 1005814891 /nfs/dbraw/zinc/81/48/91/1005814891.db2.gz WMFBGVHVOKFJIB-DOMZBBRYSA-N 1 0 364.373 2.833 20 5 FFBDRO Cc1nn(CCC(=O)OC[C@H]2CC[N@@H+]2Cc2ccccc2)c(C)c1[N+](=O)[O-] ZINC000851467546 1005889931 /nfs/dbraw/zinc/88/99/31/1005889931.db2.gz YLTVVWJLOAJQMX-QGZVFWFLSA-N 1 0 372.425 2.616 20 5 FFBDRO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@H+](Cc4cccc(F)n4)CC3)nc2c1 ZINC000851936255 1005924403 /nfs/dbraw/zinc/92/44/03/1005924403.db2.gz YOKNRKJDCYTMHD-UHFFFAOYSA-N 1 0 370.388 2.718 20 5 FFBDRO C[C@@H]1CN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCN1C(=O)OC(C)(C)C ZINC000776591382 1005985214 /nfs/dbraw/zinc/98/52/14/1005985214.db2.gz LTYLUEWPJKEXFO-CZUORRHYSA-N 1 0 365.430 2.569 20 5 FFBDRO O=[N+]([O-])c1ccc(F)cc1CN1C[C@@H]2[C@H](C1)OCCN2Cc1ccccc1 ZINC000852340281 1005985609 /nfs/dbraw/zinc/98/56/09/1005985609.db2.gz YUNWAJCEYBMZTF-UXHICEINSA-N 1 0 371.412 2.819 20 5 FFBDRO CCN(CC)C(=O)C1([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000776593136 1006005939 /nfs/dbraw/zinc/00/59/39/1006005939.db2.gz PKQSCSLNCYNUKS-KRWDZBQOSA-N 1 0 363.458 2.789 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)CN2CCO[C@]3(CCc4ccccc43)C2)cc1 ZINC000776594199 1006009072 /nfs/dbraw/zinc/00/90/72/1006009072.db2.gz YIVGBAOCERKHGZ-WOJBJXKFSA-N 1 0 354.406 2.802 20 5 FFBDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776592684 1006010114 /nfs/dbraw/zinc/01/01/14/1006010114.db2.gz SFBRWOHOVBEPHH-WOJBJXKFSA-N 1 0 355.438 2.835 20 5 FFBDRO CC(C)[C@H]1CN(c2c3cc([N+](=O)[O-])ccc3ncc2[N+](=O)[O-])CC[N@@H+]1C ZINC001187361076 1006034548 /nfs/dbraw/zinc/03/45/48/1006034548.db2.gz DZXCJGLBZSNNCE-MRXNPFEDSA-N 1 0 359.386 2.828 20 5 FFBDRO COC(=O)[C@@H]1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@@H]2CCCC[C@@H]12 ZINC000852496929 1006055757 /nfs/dbraw/zinc/05/57/57/1006055757.db2.gz SKSKMGHBXRSDAI-MLHJIOFPSA-N 1 0 362.426 2.682 20 5 FFBDRO CC(C)Oc1nc(N2CC[NH2+][C@H](c3ccc(O)cc3)C2)ccc1[N+](=O)[O-] ZINC001187496573 1006117358 /nfs/dbraw/zinc/11/73/58/1006117358.db2.gz HQYHYFNALPXQLB-HNNXBMFYSA-N 1 0 358.398 2.634 20 5 FFBDRO Cc1c(CC(=O)N2CCN(c3cc[nH+]cc3)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000881632786 1006164075 /nfs/dbraw/zinc/16/40/75/1006164075.db2.gz BOKJPDAVUHTHEC-AWEZNQCLSA-N 1 0 354.410 2.578 20 5 FFBDRO COC(=O)c1cnc(NC2CCC(C)([NH+]3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC001187646739 1006167958 /nfs/dbraw/zinc/16/79/58/1006167958.db2.gz ANLDEJNEGBWKCC-UHFFFAOYSA-N 1 0 362.430 2.985 20 5 FFBDRO [NH3+]C[C@H]1CCc2ccccc2N1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000852756107 1006169339 /nfs/dbraw/zinc/16/93/39/1006169339.db2.gz UGEWSKRDZCFPDM-CQSZACIVSA-N 1 0 374.828 2.967 20 5 FFBDRO [NH3+]C[C@H]1CCc2ccccc2N1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000852756187 1006169346 /nfs/dbraw/zinc/16/93/46/1006169346.db2.gz YEQHIEWUBHRHPQ-CQSZACIVSA-N 1 0 374.828 2.967 20 5 FFBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NCC2([NH3+])CCCC2)CC1 ZINC000852852562 1006208110 /nfs/dbraw/zinc/20/81/10/1006208110.db2.gz AUFUCVFHYMEHMI-UHFFFAOYSA-N 1 0 360.458 2.832 20 5 FFBDRO CC(C)[C@]1(C)C[C@@H]1C(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001134416273 1006319056 /nfs/dbraw/zinc/31/90/56/1006319056.db2.gz TWZWBVPACVKADM-BEFAXECRSA-N 1 0 360.458 2.967 20 5 FFBDRO COc1cc(N2CCC(OCC[NH+]3CCCC3)CC2)c([N+](=O)[O-])cc1C ZINC000853395999 1006382566 /nfs/dbraw/zinc/38/25/66/1006382566.db2.gz RRSQOQQKGGNQFJ-UHFFFAOYSA-N 1 0 363.458 2.993 20 5 FFBDRO CC(C)(CCC(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1)[N+](=O)[O-] ZINC000882398114 1006385971 /nfs/dbraw/zinc/38/59/71/1006385971.db2.gz YUZHNMXECKNHQD-KRWDZBQOSA-N 1 0 360.458 2.745 20 5 FFBDRO O=[N+]([O-])c1cnc(N2CCC[C@@H]([NH2+]C3CCOCC3)C2)c(C(F)(F)F)c1 ZINC000882726698 1006489935 /nfs/dbraw/zinc/48/99/35/1006489935.db2.gz ACQLUUJJJNGYRO-GFCCVEGCSA-N 1 0 374.363 2.746 20 5 FFBDRO O=[N+]([O-])c1ccc2ccnc(N3CCC[C@@H]([NH2+]C4CCOCC4)C3)c2c1 ZINC000882727527 1006491416 /nfs/dbraw/zinc/49/14/16/1006491416.db2.gz YRPYUSZHKFTGTN-MRXNPFEDSA-N 1 0 356.426 2.880 20 5 FFBDRO O=[N+]([O-])c1ccccc1Cc1noc(-c2cc(C3CC[NH2+]CC3)no2)n1 ZINC000854134787 1006700623 /nfs/dbraw/zinc/70/06/23/1006700623.db2.gz PHJLLJNGRLFQQI-UHFFFAOYSA-N 1 0 355.354 2.691 20 5 FFBDRO C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2F)C1=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815592444 1006701370 /nfs/dbraw/zinc/70/13/70/1006701370.db2.gz IZANBVZSIHPXHM-IAQYHMDHSA-N 1 0 358.373 2.772 20 5 FFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1ccc(N2CCNC2=O)cc1 ZINC000883288127 1006734856 /nfs/dbraw/zinc/73/48/56/1006734856.db2.gz SIHOPZBNJIDMMQ-CYBMUJFWSA-N 1 0 372.400 2.984 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ncn(C[N@@H+]3CCC[C@H]3C3CCOCC3)n2)cc1 ZINC000776770291 1007062002 /nfs/dbraw/zinc/06/20/02/1007062002.db2.gz SBPVIEYFZACPMM-KRWDZBQOSA-N 1 0 357.414 2.702 20 5 FFBDRO CC[NH+]1CCC(N2CCCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)CC1 ZINC000817125869 1007435451 /nfs/dbraw/zinc/43/54/51/1007435451.db2.gz XKUDGGDKGZBSKY-UHFFFAOYSA-N 1 0 368.428 2.869 20 5 FFBDRO CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+]CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000776822800 1007460398 /nfs/dbraw/zinc/46/03/98/1007460398.db2.gz KTZWYQNQLRAVIZ-CABCVRRESA-N 1 0 365.430 2.820 20 5 FFBDRO COc1ccc2ncc([N+](=O)[O-])c(N3CCO[C@H](CCC[NH+](C)C)C3)c2c1 ZINC000884561338 1007479204 /nfs/dbraw/zinc/47/92/04/1007479204.db2.gz XIEDPDOQTNTCGC-OAHLLOKOSA-N 1 0 374.441 2.699 20 5 FFBDRO CC[C@]([NH3+])(CO)Nc1cnc(Cl)nc1Sc1ccc([N+](=O)[O-])cc1 ZINC001170860119 1007546963 /nfs/dbraw/zinc/54/69/63/1007546963.db2.gz VHGQDXFHOXSCES-CQSZACIVSA-N 1 0 369.834 2.659 20 5 FFBDRO C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C[C@H]1C[NH3+] ZINC000818008817 1007852054 /nfs/dbraw/zinc/85/20/54/1007852054.db2.gz JDPHDSKVWXKPBS-LSDHHAIUSA-N 1 0 360.458 2.642 20 5 FFBDRO O=C1CCCCN1c1ccc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000818971790 1008011328 /nfs/dbraw/zinc/01/13/28/1008011328.db2.gz AVZAZUADRGOHQA-LJQANCHMSA-N 1 0 369.421 2.935 20 5 FFBDRO O=C1CCCN1Cc1ccc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000818968386 1008012062 /nfs/dbraw/zinc/01/20/62/1008012062.db2.gz SFTHCROYTZGPQP-LJQANCHMSA-N 1 0 369.421 2.540 20 5 FFBDRO Cc1ccc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)c(O[C@@H]2CCOC2)c1 ZINC000819153528 1008045293 /nfs/dbraw/zinc/04/52/93/1008045293.db2.gz HCRUHTNUSTXBAB-RTBURBONSA-N 1 0 372.421 2.894 20 5 FFBDRO CSc1ccc([C@H](CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)[NH+](C)C)cc1 ZINC000819336878 1008101092 /nfs/dbraw/zinc/10/10/92/1008101092.db2.gz XGAGHPJFGXBBKS-KRWDZBQOSA-N 1 0 374.466 2.932 20 5 FFBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000115417637 1008188256 /nfs/dbraw/zinc/18/82/56/1008188256.db2.gz YXCWSWQKIHDHNL-UHFFFAOYSA-N 1 0 374.416 2.792 20 5 FFBDRO O=C(N1CCCC[C@H]1[C@@H]1CC[NH2+]C1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857768103 1008203998 /nfs/dbraw/zinc/20/39/98/1008203998.db2.gz MSPPRUXEHTUKJF-DOMZBBRYSA-N 1 0 369.368 2.557 20 5 FFBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H](Oc3ccc(C4CC4)cn3)C2)c1 ZINC000858018416 1008278908 /nfs/dbraw/zinc/27/89/08/1008278908.db2.gz ATQCHFHRHPOZJQ-KRWDZBQOSA-N 1 0 357.414 2.607 20 5 FFBDRO CCOC(=O)C1=CC[C@H]([NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000858504604 1008371018 /nfs/dbraw/zinc/37/10/18/1008371018.db2.gz UWWLLPKHRFGNQS-WFASDCNBSA-N 1 0 361.398 2.553 20 5 FFBDRO O=C1COc2cc([N+](=O)[O-])c(NC[C@@H]3CC[N@@H+]3C3CCCCC3)cc2N1 ZINC000858683670 1008403892 /nfs/dbraw/zinc/40/38/92/1008403892.db2.gz VWZUXSZYULCOOQ-ZDUSSCGKSA-N 1 0 360.414 2.745 20 5 FFBDRO CC(C)(C)[N@@H+]1CCCN(C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)CC1 ZINC001136447634 1008464126 /nfs/dbraw/zinc/46/41/26/1008464126.db2.gz CFZNOSNMOUVGDG-UHFFFAOYSA-N 1 0 354.838 2.777 20 5 FFBDRO CCC1([NH+]2CCC2)CCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000886712759 1008839497 /nfs/dbraw/zinc/83/94/97/1008839497.db2.gz LFVMLDRSBAZRBY-OAHLLOKOSA-N 1 0 360.458 2.872 20 5 FFBDRO COC[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[C@@H]1CCCOC1 ZINC000886787625 1008880215 /nfs/dbraw/zinc/88/02/15/1008880215.db2.gz YXGBDCMPARRVNL-DNVCBOLYSA-N 1 0 363.458 2.595 20 5 FFBDRO O=C(NCCCCCC[NH2+]Cc1ccc2c(c1)CCC2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001178458611 1008995606 /nfs/dbraw/zinc/99/56/06/1008995606.db2.gz OFYTTZXFJYPIQV-RTBURBONSA-N 1 0 359.470 2.607 20 5 FFBDRO O=C(NCCCCCC[NH2+]CCCCC1CCOCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001178463695 1008996500 /nfs/dbraw/zinc/99/65/00/1008996500.db2.gz ILLQOIGMBQTXGO-QZTJIDSGSA-N 1 0 369.506 2.515 20 5 FFBDRO Cc1ccc(C[NH2+]CCCCCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1F ZINC001178463281 1008997610 /nfs/dbraw/zinc/99/76/10/1008997610.db2.gz CTXOZARDTSARGA-NVXWUHKLSA-N 1 0 351.422 2.566 20 5 FFBDRO C[N@H+](CCNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N)C1CCCC1 ZINC001136716350 1009052959 /nfs/dbraw/zinc/05/29/59/1009052959.db2.gz WEVXIXFPQRZOJU-UHFFFAOYSA-N 1 0 358.801 2.574 20 5 FFBDRO CCc1nc(CNC(=O)c2c(Br)cccc2[N+](=O)[O-])c[nH]1 ZINC001178669606 1009074617 /nfs/dbraw/zinc/07/46/17/1009074617.db2.gz KQJSNBGTUFWVMJ-UHFFFAOYSA-N 1 0 353.176 2.573 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H](O)CN2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)c1 ZINC000823481617 1009084911 /nfs/dbraw/zinc/08/49/11/1009084911.db2.gz KMJIAHZTLLHAGP-CEWLAPEOSA-N 1 0 367.449 2.835 20 5 FFBDRO Cc1cc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(N)c([N+](=O)[O-])c1 ZINC000126434629 1009229140 /nfs/dbraw/zinc/22/91/40/1009229140.db2.gz XQYUQPDFDBSYET-CZUORRHYSA-N 1 0 358.442 2.574 20 5 FFBDRO CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000823966373 1009283322 /nfs/dbraw/zinc/28/33/22/1009283322.db2.gz MKEKHTHNLVLTDM-IBGZPJMESA-N 1 0 371.437 2.786 20 5 FFBDRO Nc1ccc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000824008623 1009291446 /nfs/dbraw/zinc/29/14/46/1009291446.db2.gz RVEQCEHWIDXWPG-HNNXBMFYSA-N 1 0 355.398 2.573 20 5 FFBDRO Cc1cc(CC[NH2+]Cc2c(Br)cccc2[N+](=O)[O-])nn1C ZINC001179530907 1009353829 /nfs/dbraw/zinc/35/38/29/1009353829.db2.gz FUINEIJLPDAXCG-UHFFFAOYSA-N 1 0 353.220 2.732 20 5 FFBDRO [NH3+]C[C@H]1COc2ccccc2N1c1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC001171394666 1009739451 /nfs/dbraw/zinc/73/94/51/1009739451.db2.gz SJODYLBJARYUOH-JTQLQIEISA-N 1 0 354.288 2.866 20 5 FFBDRO C[NH+]1CCC2(CCN2C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CC1 ZINC000889226041 1009873396 /nfs/dbraw/zinc/87/33/96/1009873396.db2.gz QBOFZUDMXHIDMZ-UHFFFAOYSA-N 1 0 372.469 2.895 20 5 FFBDRO CC(C)[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H](O)c1ccccc1 ZINC000794609409 1010440283 /nfs/dbraw/zinc/44/02/83/1010440283.db2.gz ZKARYWCXEJPZLV-HOJAQTOUSA-N 1 0 374.437 2.682 20 5 FFBDRO O=C1NCCN1Cc1ccc(C[NH2+]CC=Cc2ccccc2[N+](=O)[O-])cc1 ZINC000865816392 1010868448 /nfs/dbraw/zinc/86/84/48/1010868448.db2.gz IEGNNKQIGQECSZ-HYXAFXHYSA-N 1 0 366.421 2.923 20 5 FFBDRO CCC1([NH+](C)C)CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)CC1 ZINC000866058599 1010918763 /nfs/dbraw/zinc/91/87/63/1010918763.db2.gz BWRRPMPLSXJHCF-UHFFFAOYSA-N 1 0 360.458 2.798 20 5 FFBDRO COCCOc1ccc(C[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])cn1 ZINC000866236581 1010958327 /nfs/dbraw/zinc/95/83/27/1010958327.db2.gz ZEZUMRNTXOLRLX-CYBMUJFWSA-N 1 0 363.389 2.875 20 5 FFBDRO CN(CC[NH+]1CC2(C1)CCOCC2)c1c2ccccc2ncc1[N+](=O)[O-] ZINC000866258292 1010963744 /nfs/dbraw/zinc/96/37/44/1010963744.db2.gz QNXWYFDYWVBXRC-UHFFFAOYSA-N 1 0 356.426 2.692 20 5 FFBDRO C[C@](N)(C(=O)N1CCC(OC2CCCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000867953209 1011129890 /nfs/dbraw/zinc/12/98/90/1011129890.db2.gz PVLRYANWZUYHNG-LJQANCHMSA-N 1 0 361.442 2.719 20 5 FFBDRO COCCC1(NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000868039675 1011151449 /nfs/dbraw/zinc/15/14/49/1011151449.db2.gz HAJBZCLXGLQQGD-UHFFFAOYSA-N 1 0 363.458 2.781 20 5 FFBDRO O=C(CC[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1)Nc1nccs1 ZINC001172899631 1012075449 /nfs/dbraw/zinc/07/54/49/1012075449.db2.gz BCKKDCWNKUQBRO-CQSZACIVSA-N 1 0 360.439 2.917 20 5 FFBDRO CCOC(=O)c1cn([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)nc1C[NH3+] ZINC001172907633 1012080162 /nfs/dbraw/zinc/08/01/62/1012080162.db2.gz HEOUPBYEZOIAMU-CQSZACIVSA-N 1 0 358.398 2.547 20 5 FFBDRO O=C1COc2ccc(C[NH2+][C@@H]3CCc4ccc([N+](=O)[O-])cc4CC3)cc2N1 ZINC001172910054 1012123442 /nfs/dbraw/zinc/12/34/42/1012123442.db2.gz WQZFGANGIFXERG-MRXNPFEDSA-N 1 0 367.405 2.963 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH+]1CCN(C[C@H]3CCCO3)CC1)CC2 ZINC001172912174 1012125693 /nfs/dbraw/zinc/12/56/93/1012125693.db2.gz YMFPRZKCWHJYRH-UYAOXDASSA-N 1 0 359.470 2.639 20 5 FFBDRO Cn1cc(C[N@H+](C)C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)cn1 ZINC001173014073 1012183930 /nfs/dbraw/zinc/18/39/30/1012183930.db2.gz JSCCDBULAGMAOC-UHFFFAOYSA-N 1 0 365.384 2.707 20 5 FFBDRO CCN1CC[N@@H+](C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)C[C@H]1C ZINC001173015663 1012186928 /nfs/dbraw/zinc/18/69/28/1012186928.db2.gz GESWTCATDQLBOD-CYBMUJFWSA-N 1 0 368.428 2.868 20 5 FFBDRO C[NH+]1CCC2(CC1)CN(C(=O)c1ccc([N+](=O)[O-])o1)Cc1ccccc12 ZINC000870182165 1012241454 /nfs/dbraw/zinc/24/14/54/1012241454.db2.gz RNHTYDZFCVGDRG-UHFFFAOYSA-N 1 0 355.394 2.807 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@H]2CCN(CC3CC3)C2)c1F ZINC001173177805 1012319264 /nfs/dbraw/zinc/31/92/64/1012319264.db2.gz DQPGCPGBGLDPJG-OCCSQVGLSA-N 1 0 351.422 2.747 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@H]2Cc3ccccc3NC2=O)c1F ZINC001173180003 1012321690 /nfs/dbraw/zinc/32/16/90/1012321690.db2.gz RYSYMEOIDBASPW-ABAIWWIYSA-N 1 0 373.384 2.827 20 5 FFBDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C1 ZINC000646997074 1012326431 /nfs/dbraw/zinc/32/64/31/1012326431.db2.gz ODJZYSZXFUQSRC-QWHCGFSZSA-N 1 0 371.387 2.959 20 5 FFBDRO COC(=O)[C@H]1C[N@@H+]([C@@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])CC12CC2 ZINC001173191623 1012331213 /nfs/dbraw/zinc/33/12/13/1012331213.db2.gz DVVJDUONKJPEBD-WCQYABFASA-N 1 0 366.389 2.559 20 5 FFBDRO COC(=O)[C@@H]1C[N@@H+]([C@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])CC12CC2 ZINC001173191624 1012332240 /nfs/dbraw/zinc/33/22/40/1012332240.db2.gz DVVJDUONKJPEBD-YPMHNXCESA-N 1 0 366.389 2.559 20 5 FFBDRO COc1ccc(CC[NH2+][C@@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])nc1 ZINC001173192444 1012335170 /nfs/dbraw/zinc/33/51/70/1012335170.db2.gz PZQZVRBWPIMZHG-LBPRGKRZSA-N 1 0 363.389 2.909 20 5 FFBDRO COC(=O)[C@H]1CC[C@@H]([NH2+][C@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])CC1 ZINC001173192951 1012335206 /nfs/dbraw/zinc/33/52/06/1012335206.db2.gz SAYNZWXSRDCQQC-UPJWGTAASA-N 1 0 368.405 2.995 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+](C)[C@@H]2CCC3(C2)OCCO3)c1F ZINC001173193633 1012335296 /nfs/dbraw/zinc/33/52/96/1012335296.db2.gz UUKXOQOHLAZBSF-QWHCGFSZSA-N 1 0 368.405 2.901 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH+]2CCC(n3cnnc3)CC2)c1F ZINC001173196011 1012337284 /nfs/dbraw/zinc/33/72/84/1012337284.db2.gz KYBHYCJUPYZHPQ-GFCCVEGCSA-N 1 0 363.393 2.602 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CCCC3(C2)OCCO3)c1F ZINC001173195826 1012338408 /nfs/dbraw/zinc/33/84/08/1012338408.db2.gz IWIMPDRLXUMUEB-LBPRGKRZSA-N 1 0 354.378 2.512 20 5 FFBDRO CCN(C)c1ncnc2c1CC[N@@H+]([C@H](C)Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC001173222383 1012355565 /nfs/dbraw/zinc/35/55/65/1012355565.db2.gz BDQOLHZKZKROFP-OAHLLOKOSA-N 1 0 369.469 2.873 20 5 FFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC1CCN(c2ncccn2)CC1 ZINC001173222125 1012356145 /nfs/dbraw/zinc/35/61/45/1012356145.db2.gz USWFMSDKBWJAAR-OAHLLOKOSA-N 1 0 355.442 2.822 20 5 FFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccnc(OC2CCOCC2)n1 ZINC001173224097 1012358715 /nfs/dbraw/zinc/35/87/15/1012358715.db2.gz LUBFEKTVRPKKMN-AWEZNQCLSA-N 1 0 372.425 2.663 20 5 FFBDRO COc1cccnc1N1CC[NH+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173231076 1012363828 /nfs/dbraw/zinc/36/38/28/1012363828.db2.gz JKEOMJQFYWOKES-OAHLLOKOSA-N 1 0 356.426 2.752 20 5 FFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCN(CCc2ccccn2)CC1 ZINC001173228350 1012364097 /nfs/dbraw/zinc/36/40/97/1012364097.db2.gz VBZUNBVJCRLYIR-QGZVFWFLSA-N 1 0 354.454 2.781 20 5 FFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](CN1C(=O)CCC1=O)C(C)(C)C ZINC001173228829 1012364146 /nfs/dbraw/zinc/36/41/46/1012364146.db2.gz KRMDQOYWWQIEEX-BBRMVZONSA-N 1 0 361.442 2.679 20 5 FFBDRO COC[C@@H](C[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1)NC(=O)OC(C)(C)C ZINC001173233931 1012367372 /nfs/dbraw/zinc/36/73/72/1012367372.db2.gz LQOQQIZKWSXBCS-UKRRQHHQSA-N 1 0 367.446 2.655 20 5 FFBDRO CCCNC(=O)COC1CC[NH+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173238146 1012385752 /nfs/dbraw/zinc/38/57/52/1012385752.db2.gz OAKDZMPMQGCXOG-HNNXBMFYSA-N 1 0 363.458 2.533 20 5 FFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](C3OCCO3)C2)c(Br)c1 ZINC000718981031 1012536065 /nfs/dbraw/zinc/53/60/65/1012536065.db2.gz SAAQWHPHGHPQRN-LLVKDONJSA-N 1 0 357.204 2.552 20 5 FFBDRO c1cnc2c(c1)ccc1ccc(-c3noc(-c4n[nH]c5c4CC[NH2+]C5)n3)nc12 ZINC001217331068 1032694346 /nfs/dbraw/zinc/69/43/46/1032694346.db2.gz GFWSQFJJLWDNGR-UHFFFAOYSA-N 1 0 369.388 2.869 20 5 FFBDRO Cc1c(C(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000748844526 1017703326 /nfs/dbraw/zinc/70/33/26/1017703326.db2.gz RNIXDWOWKWHWMM-ZDUSSCGKSA-N 1 0 364.402 2.580 20 5 FFBDRO C[C@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(CCCCC[NH+]2CCCC2)C1=O ZINC000925329437 1017710311 /nfs/dbraw/zinc/71/03/11/1017710311.db2.gz AZIBPFACDYNRCK-LJQANCHMSA-N 1 0 374.441 2.628 20 5 FFBDRO Cn1ccnc1[C@@H]([NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2)c1ccc([N+](=O)[O-])cc1 ZINC000926934350 1018299252 /nfs/dbraw/zinc/29/92/52/1018299252.db2.gz FTLWJCQMRYAJQE-MVJTYMMSSA-N 1 0 354.410 2.598 20 5 FFBDRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000681992615 1018662317 /nfs/dbraw/zinc/66/23/17/1018662317.db2.gz OUCFQFNHDBBBPI-INIZCTEOSA-N 1 0 361.445 2.895 20 5 FFBDRO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@@](CO)(c3ccccc3)C2)cc1 ZINC000801581071 1019140191 /nfs/dbraw/zinc/14/01/91/1019140191.db2.gz ZKDRURBHKUPHMW-HXUWFJFHSA-N 1 0 356.422 3.000 20 5 FFBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000801903453 1019499595 /nfs/dbraw/zinc/49/95/95/1019499595.db2.gz DMPUIJSMTNWVKM-CQSZACIVSA-N 1 0 372.400 2.711 20 5 FFBDRO C[C@H](NC(=O)c1cc([N+](=O)[O-])c(F)cc1N)[C@H](c1ccccc1)[NH+](C)C ZINC000801952413 1019536276 /nfs/dbraw/zinc/53/62/76/1019536276.db2.gz WEXVLBVKNZBLQF-APPDUMDISA-N 1 0 360.389 2.737 20 5 FFBDRO Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C3)c(C)c1 ZINC001048525286 1020275686 /nfs/dbraw/zinc/27/56/86/1020275686.db2.gz SBBLZGXOGYNGHO-HKUYMTLNSA-N 1 0 371.481 2.828 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2cnn(CN3CC[C@H]([NH+]4CCCCC4)C3)c2)c1 ZINC000777955582 1020315717 /nfs/dbraw/zinc/31/57/17/1020315717.db2.gz PRYGNKTXAKQBKT-IBGZPJMESA-N 1 0 355.442 2.976 20 5 FFBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931433700 1020463631 /nfs/dbraw/zinc/46/36/31/1020463631.db2.gz FKXZWEJUYCRKSA-VHDGCEQUSA-N 1 0 357.414 2.589 20 5 FFBDRO CC(C)C[C@H]1CCC[N@@H+]1CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000726588441 1020489971 /nfs/dbraw/zinc/48/99/71/1020489971.db2.gz KDCZIDGHBMVRLS-CQSZACIVSA-N 1 0 360.414 2.831 20 5 FFBDRO CC(C)(C)C1=CC[N@H+](CCNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 ZINC000803119718 1020627802 /nfs/dbraw/zinc/62/78/02/1020627802.db2.gz DVNRRGJXZDKXLD-UHFFFAOYSA-N 1 0 364.421 2.724 20 5 FFBDRO C[C@]1([C@@H]2CCC[N@H+](CCCOc3ccc([N+](=O)[O-])cc3)C2)COC(=O)N1 ZINC000932016180 1020667171 /nfs/dbraw/zinc/66/71/71/1020667171.db2.gz JJYNESCJPRKCDK-RDTXWAMCSA-N 1 0 363.414 2.574 20 5 FFBDRO COc1c(=O)n2c3ccccc3c3ccnc(c32)c1O[C@@H]1CCCC[NH2+]C1 ZINC001217976859 1032929065 /nfs/dbraw/zinc/92/90/65/1032929065.db2.gz SQCRSXLPGFXOQN-CYBMUJFWSA-N 1 0 363.417 2.968 20 5 FFBDRO O=C1[C@@H]([NH2+][C@@H](c2ccccn2)C2CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000932382372 1020787837 /nfs/dbraw/zinc/78/78/37/1020787837.db2.gz SKLXTRRKZGLDHZ-ZWKOTPCHSA-N 1 0 352.394 2.836 20 5 FFBDRO Cn1nc(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1C(F)(F)F ZINC000903341581 1020795470 /nfs/dbraw/zinc/79/54/70/1020795470.db2.gz PCJBQOVIQVBOTQ-NWDGAFQWSA-N 1 0 372.351 2.817 20 5 FFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H](CO)c2ccccc2C(F)(F)F)c1 ZINC000933241518 1020983344 /nfs/dbraw/zinc/98/33/44/1020983344.db2.gz MRRFPAYRPKGRQV-CVEARBPZSA-N 1 0 370.327 2.970 20 5 FFBDRO CCCCNC(=O)c1ccc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000749677687 1021019651 /nfs/dbraw/zinc/01/96/51/1021019651.db2.gz QGNCQKMKASUANZ-LJQANCHMSA-N 1 0 371.437 2.948 20 5 FFBDRO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000933777476 1021089166 /nfs/dbraw/zinc/08/91/66/1021089166.db2.gz SLWPNXRJGAMXTR-SFHVURJKSA-N 1 0 361.442 2.837 20 5 FFBDRO C[C@](O)(CC[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccccc1 ZINC000778213093 1021130474 /nfs/dbraw/zinc/13/04/74/1021130474.db2.gz BRTWTJLZRQOCCJ-IBGZPJMESA-N 1 0 358.394 2.753 20 5 FFBDRO CCOC(=O)N1CCC([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000778224950 1021149567 /nfs/dbraw/zinc/14/95/67/1021149567.db2.gz XGXBPGQLRPXWMC-ZDUSSCGKSA-N 1 0 365.430 2.950 20 5 FFBDRO COc1ccc(NC(=O)c2ccccc2N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC001116531710 1021268100 /nfs/dbraw/zinc/26/81/00/1021268100.db2.gz FFNLKVYPIGBDFZ-UHFFFAOYSA-N 1 0 370.409 2.608 20 5 FFBDRO C[C@@H]1C[C@@H](Oc2ccc([N+](=O)[O-])cc2I)CC[NH2+]1 ZINC001218051355 1032970698 /nfs/dbraw/zinc/97/06/98/1032970698.db2.gz YHDYJUQDAPQISU-SCZZXKLOSA-N 1 0 362.167 2.719 20 5 FFBDRO C[C@@H]1C[C@H](Oc2cc([N+](=O)[O-])ccc2I)CC[NH2+]1 ZINC001218062417 1032974743 /nfs/dbraw/zinc/97/47/43/1032974743.db2.gz UADXBNCUCRUQCS-PSASIEDQSA-N 1 0 362.167 2.719 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCCC[C@@H]([C@@H]2CCOC2)C1 ZINC000934836652 1021421341 /nfs/dbraw/zinc/42/13/41/1021421341.db2.gz DVHAJHVNDJPWSD-HZPDHXFCSA-N 1 0 361.442 2.980 20 5 FFBDRO O=[N+]([O-])c1c(I)cccc1O[C@@H]1CC[C@]12CC[NH2+]C2 ZINC001218117793 1033005552 /nfs/dbraw/zinc/00/55/52/1033005552.db2.gz MPXUKAYLUXAMCF-DGCLKSJQSA-N 1 0 374.178 2.720 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H](CO)CC1CCOCC1 ZINC001118488877 1022260032 /nfs/dbraw/zinc/26/00/32/1022260032.db2.gz APKJZDNVGURFMH-UKRRQHHQSA-N 1 0 352.431 2.679 20 5 FFBDRO CC[C@@H](C(=O)O[C@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1)[NH+](CC)CC ZINC000778813665 1022400250 /nfs/dbraw/zinc/40/02/50/1022400250.db2.gz JQHGXYKXWHTWEM-HOCLYGCPSA-N 1 0 367.421 2.976 20 5 FFBDRO O=C(NCc1cccc2c1CC[NH2+]C2)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001119419112 1022752122 /nfs/dbraw/zinc/75/21/22/1022752122.db2.gz MFLOWBYIVZMIPR-UHFFFAOYSA-N 1 0 366.421 2.508 20 5 FFBDRO COc1c(O)cc(O[C@@H]2CCC[NH2+]C2)c2c(=O)c3ccccc3n(C)c12 ZINC001218287418 1033087448 /nfs/dbraw/zinc/08/74/48/1033087448.db2.gz YZZYLDZJXCXTHY-GFCCVEGCSA-N 1 0 354.406 2.537 20 5 FFBDRO C/C(=C/C(=O)N1CCC[N@H+](C[C@@H]2CCCO2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000751690051 1022911608 /nfs/dbraw/zinc/91/16/08/1022911608.db2.gz YEDWAWLCUWRYNG-VDUFWMCCSA-N 1 0 373.453 2.711 20 5 FFBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000075005596 1022988303 /nfs/dbraw/zinc/98/83/03/1022988303.db2.gz UCVSVSLHMPNIGH-CQSZACIVSA-N 1 0 365.430 2.915 20 5 FFBDRO C[NH2+]C[C@@H]1CCCCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC001122240397 1023137052 /nfs/dbraw/zinc/13/70/52/1023137052.db2.gz REALEQOGACIGNZ-JTQLQIEISA-N 1 0 374.210 2.711 20 5 FFBDRO C/C(=C/C(=O)N1CC[C@H](OCC[NH+]2CCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000752574365 1023165732 /nfs/dbraw/zinc/16/57/32/1023165732.db2.gz BXXABYPOXVDQAJ-VDUFWMCCSA-N 1 0 373.453 2.711 20 5 FFBDRO [NH3+]CC[C@H]1Cc2ccccc2N(C(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC001122330104 1023194225 /nfs/dbraw/zinc/19/42/25/1023194225.db2.gz GQYWTRRGFJCFLJ-AWEZNQCLSA-N 1 0 355.394 2.528 20 5 FFBDRO [NH3+][C@H]1C[C@@H](NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)C12CCC2 ZINC001122426906 1023260388 /nfs/dbraw/zinc/26/03/88/1023260388.db2.gz RNJHKMQJOQZXAZ-RBUKOAKNSA-N 1 0 361.445 2.541 20 5 FFBDRO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C[C@@]1(O)CCc2ccccc21 ZINC000829359099 1033118346 /nfs/dbraw/zinc/11/83/46/1033118346.db2.gz WPTZGXFVVCNVCU-FQEVSTJZSA-N 1 0 369.421 2.689 20 5 FFBDRO O=C(NCC[C@@H]1CCC[NH2+]CC1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC001122592751 1023357536 /nfs/dbraw/zinc/35/75/36/1023357536.db2.gz BWIRUEIPALHTHC-OAHLLOKOSA-N 1 0 360.458 2.705 20 5 FFBDRO COc1cc(F)c([N+](=O)[O-])c(N2CC[C@@H](OCC[NH+]3CCCCC3)C2)c1 ZINC000754784109 1023516798 /nfs/dbraw/zinc/51/67/98/1023516798.db2.gz GOUOLKVCHWRQFB-CQSZACIVSA-N 1 0 367.421 2.824 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)O[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001122957993 1023573889 /nfs/dbraw/zinc/57/38/89/1023573889.db2.gz LBOKDAYSAUWKOT-RHSMWYFYSA-N 1 0 372.425 2.554 20 5 FFBDRO O=C(NC1CC2(C1)CC([NH2+]CC/C=C/c1ccccc1)C2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001121087630 1023599091 /nfs/dbraw/zinc/59/90/91/1023599091.db2.gz QRMICJWJSRSQKB-WIIDURDBSA-N 1 0 369.465 2.772 20 5 FFBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)CCc3ccoc3)c2)CC1 ZINC001121160398 1023631039 /nfs/dbraw/zinc/63/10/39/1023631039.db2.gz OMPWUOFXHFQBOT-UHFFFAOYSA-N 1 0 358.398 2.511 20 5 FFBDRO CCC1(CC)CC[N@H+](CN2C(=O)N[C@@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000755930059 1023652367 /nfs/dbraw/zinc/65/23/67/1023652367.db2.gz GLPGKLCEDKKEPQ-SFHVURJKSA-N 1 0 374.441 2.831 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)CCc3cc(F)ccc3[N+](=O)[O-])C[C@@H]2C1 ZINC001121237585 1023662775 /nfs/dbraw/zinc/66/27/75/1023662775.db2.gz CPJZZTGJXVGXFC-HLLBOEOZSA-N 1 0 363.433 2.855 20 5 FFBDRO C[C@H](c1nnc(N2CCC(C[N@H+](C)Cc3ccccc3)CC2)n1C)[N+](=O)[O-] ZINC001121389506 1023744516 /nfs/dbraw/zinc/74/45/16/1023744516.db2.gz UBBJCOHAJMZBON-OAHLLOKOSA-N 1 0 372.473 2.501 20 5 FFBDRO O=[N+]([O-])c1cc(I)ccc1O[C@@H]1CC[C@H]2C[NH2+]C[C@@H]21 ZINC001218458383 1033165129 /nfs/dbraw/zinc/16/51/29/1033165129.db2.gz AQDBZOJLBLLRDB-PTOFAABTSA-N 1 0 374.178 2.576 20 5 FFBDRO O=[N+]([O-])c1c2c(cc(Br)c1O[C@@H]1C[C@H]3C[NH2+][C@@H]1C3)CCC2 ZINC001218492676 1033180245 /nfs/dbraw/zinc/18/02/45/1033180245.db2.gz WDMMVOZCYHFGFR-ZEGGKSINSA-N 1 0 353.216 2.975 20 5 FFBDRO CC[NH+](CC)Cc1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2N)c1 ZINC000195151744 1024948942 /nfs/dbraw/zinc/94/89/42/1024948942.db2.gz VJGYMYVUCAIWPG-UHFFFAOYSA-N 1 0 356.426 2.949 20 5 FFBDRO Cc1cc(NC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])ccc1C[NH+](C)C ZINC000838282453 1026299101 /nfs/dbraw/zinc/29/91/01/1026299101.db2.gz PLOKXVWARNCOAL-UHFFFAOYSA-N 1 0 371.393 2.795 20 5 FFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@]1(O)CCc2ccccc21 ZINC000090795692 1026439377 /nfs/dbraw/zinc/43/93/77/1026439377.db2.gz IEPVORXCKGZULJ-VLIAUNLRSA-N 1 0 369.421 2.736 20 5 FFBDRO O=[N+]([O-])c1c(Cl)ccnc1NC1CC[NH+](CC2CCOCC2)CC1 ZINC001161212658 1026544473 /nfs/dbraw/zinc/54/44/73/1026544473.db2.gz OJDJBRVYGHTJDX-UHFFFAOYSA-N 1 0 354.838 2.946 20 5 FFBDRO O=[N+]([O-])c1ccc(OCCC[NH+]2CCC([C@H](O)c3ncc[nH]3)CC2)cc1 ZINC000839577503 1026742303 /nfs/dbraw/zinc/74/23/03/1026742303.db2.gz WBDKAMWGWJALMK-KRWDZBQOSA-N 1 0 360.414 2.532 20 5 FFBDRO CCOC(=O)C1(Nc2ccc3cccc([N+](=O)[O-])c3n2)CC[NH+](C)CC1 ZINC001158572586 1027063754 /nfs/dbraw/zinc/06/37/54/1027063754.db2.gz PSKMPYOZVIWYOK-UHFFFAOYSA-N 1 0 358.398 2.582 20 5 FFBDRO [NH3+]Cc1ccc2cn(-c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)nn3)nc2c1 ZINC001160143769 1027609047 /nfs/dbraw/zinc/60/90/47/1027609047.db2.gz TWFUYXCUQCZXRO-UHFFFAOYSA-N 1 0 364.340 2.989 20 5 FFBDRO [NH3+]C[C@@H]1COc2ccccc2N1C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1 ZINC001160196891 1027633098 /nfs/dbraw/zinc/63/30/98/1027633098.db2.gz YRICGYUJCMOCGT-SNVBAGLBSA-N 1 0 370.743 2.919 20 5 FFBDRO C[C@@H]1C[C@@H]([N@@H+]2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)CCO1 ZINC000957131227 1027693634 /nfs/dbraw/zinc/69/36/34/1027693634.db2.gz CLBRRVMJZLLGMK-KGLIPLIRSA-N 1 0 359.430 2.551 20 5 FFBDRO CSc1nc(Cl)nc(N[C@@H]2CC[NH2+]C[C@@H]2C(F)(F)F)c1[N+](=O)[O-] ZINC001160739467 1027846771 /nfs/dbraw/zinc/84/67/71/1027846771.db2.gz MQCKCFCFDYCKJC-NTSWFWBYSA-N 1 0 371.772 2.712 20 5 FFBDRO CN(Cc1c2ccccc2cc2ccccc21)C(=O)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001160740203 1027847345 /nfs/dbraw/zinc/84/73/45/1027847345.db2.gz YWODZRBRPBCFET-FDDCHVKYSA-N 1 0 359.473 2.903 20 5 FFBDRO CCC(CC)[NH+]1CCC(Nc2nc(C(=O)OC)ccc2[N+](=O)[O-])CC1 ZINC001161100476 1028009889 /nfs/dbraw/zinc/00/98/89/1028009889.db2.gz CIJILXIHLXXANB-UHFFFAOYSA-N 1 0 350.419 2.841 20 5 FFBDRO CCC(CC)[NH+]1CCC(Nc2nccc(C(=O)OC)c2[N+](=O)[O-])CC1 ZINC001161098338 1028010238 /nfs/dbraw/zinc/01/02/38/1028010238.db2.gz KTEWZAGHBBNMNB-UHFFFAOYSA-N 1 0 350.419 2.841 20 5 FFBDRO C[NH+](C)CCCCNc1ncccc1NC(=O)c1ccccc1[N+](=O)[O-] ZINC001161724859 1028294330 /nfs/dbraw/zinc/29/43/30/1028294330.db2.gz FYJXNFGLGYYPAZ-UHFFFAOYSA-N 1 0 357.414 2.996 20 5 FFBDRO [NH3+][C@H]1CCC[C@H](Nc2ncccc2NC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC001162393666 1028527516 /nfs/dbraw/zinc/52/75/16/1028527516.db2.gz WIUSLGAMPPKOMT-STQMWFEESA-N 1 0 355.398 2.924 20 5 FFBDRO CC(C)Oc1nc(NC[C@H]2CCC3(CC[NH2+]CC3)CO2)ccc1[N+](=O)[O-] ZINC001155386069 1028713826 /nfs/dbraw/zinc/71/38/26/1028713826.db2.gz YWFVUNZBMPTAGA-CQSZACIVSA-N 1 0 364.446 2.738 20 5 FFBDRO Cc1cc(NC2CC3(C2)CCC[NH2+]C3)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001162986688 1028746437 /nfs/dbraw/zinc/74/64/37/1028746437.db2.gz SLFAGRDESHVAMP-UHFFFAOYSA-N 1 0 353.426 2.726 20 5 FFBDRO CCOC(=O)c1cc(NCC[C@H]2C[NH2+]Cc3cccn3C2)ccc1[N+](=O)[O-] ZINC001163063648 1028782142 /nfs/dbraw/zinc/78/21/42/1028782142.db2.gz KGRWBQKQUBALSE-AWEZNQCLSA-N 1 0 372.425 2.795 20 5 FFBDRO Cc1cc(NCC[C@@H]2CCOC23C[NH2+]C3)c([N+](=O)[O-])cc1Br ZINC001163096577 1028796338 /nfs/dbraw/zinc/79/63/38/1028796338.db2.gz XAIYBXGQESRULS-LLVKDONJSA-N 1 0 370.247 2.846 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(-n2c3ccccc3nc2N2CC[NH2+]CC2)nc1Cl ZINC001155578282 1028799736 /nfs/dbraw/zinc/79/97/36/1028799736.db2.gz HJMYTLPNDOXNBH-UHFFFAOYSA-N 1 0 372.816 2.700 20 5 FFBDRO NC1=CC=C(C2CCN(c3nccc4cc([N+](=O)[O-])ccc43)CC2)[NH2+]C1 ZINC001163135827 1028819805 /nfs/dbraw/zinc/81/98/05/1028819805.db2.gz MVWIRPFANGWWFM-UHFFFAOYSA-N 1 0 351.410 2.689 20 5 FFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CCO[C@@]3(CC[NH2+]C3)C2)nc1-c1ccccc1 ZINC001155635733 1028828577 /nfs/dbraw/zinc/82/85/77/1028828577.db2.gz LBCRYUNOZZZPHG-BEFAXECRSA-N 1 0 354.410 2.980 20 5 FFBDRO COc1cccc([C@H](C[NH3+])NC(F)(F)c2cc([N+](=O)[O-])cnc2Cl)c1 ZINC001163307429 1028883337 /nfs/dbraw/zinc/88/33/37/1028883337.db2.gz YSZWEXRDNDQABA-ZDUSSCGKSA-N 1 0 372.759 2.991 20 5 FFBDRO COc1cccc([C@H](C[NH3+])Nc2nc(Cl)nc(SC)c2[N+](=O)[O-])c1 ZINC001163310188 1028887884 /nfs/dbraw/zinc/88/78/84/1028887884.db2.gz UPYKXZMKQIOFED-JTQLQIEISA-N 1 0 369.834 2.881 20 5 FFBDRO Cc1cc(N[C@@H]2CCO[C@]3(CC[NH2+]C3)C2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001163317259 1028888434 /nfs/dbraw/zinc/88/84/34/1028888434.db2.gz UPCMBZIEUILPRS-DNVCBOLYSA-N 1 0 369.425 2.683 20 5 FFBDRO O=C(CNc1ccc([N+](=O)[O-])cc1C(F)F)NCC[NH+]1CCCCCC1 ZINC001163412812 1028920437 /nfs/dbraw/zinc/92/04/37/1028920437.db2.gz OEMKIFVEFOAHCL-UHFFFAOYSA-N 1 0 370.400 2.937 20 5 FFBDRO C[NH+](C)CCOc1cc(NCCC(=O)OC(C)(C)C)ccc1[N+](=O)[O-] ZINC001163413799 1028921287 /nfs/dbraw/zinc/92/12/87/1028921287.db2.gz BMVDDYZUBLDOSH-UHFFFAOYSA-N 1 0 353.419 2.679 20 5 FFBDRO O=[N+]([O-])c1c2[nH]cnc2ccc1NCc1cccnc1C1CC[NH2+]CC1 ZINC001163914536 1029113289 /nfs/dbraw/zinc/11/32/89/1029113289.db2.gz BATHPNYQYCVTAA-UHFFFAOYSA-N 1 0 352.398 2.945 20 5 FFBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N(C)[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1C ZINC001156342150 1029157600 /nfs/dbraw/zinc/15/76/00/1029157600.db2.gz YXBPZAUIUWRLPA-KXBFYZLASA-N 1 0 370.453 2.883 20 5 FFBDRO [NH3+]CC1(c2ccccc2)CCN(c2ccc3[nH]cc([N+](=O)[O-])c3n2)CC1 ZINC001164439141 1029280987 /nfs/dbraw/zinc/28/09/87/1029280987.db2.gz KWMRKNDQSPLFPW-UHFFFAOYSA-N 1 0 351.410 2.968 20 5 FFBDRO O=[N+]([O-])c1cc[n+]([O-])c(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1F ZINC001164486910 1029295383 /nfs/dbraw/zinc/29/53/83/1029295383.db2.gz SLRVCGFQLLCNQW-HRCADAONSA-N 1 0 372.400 2.690 20 5 FFBDRO O=C(NCCC1(C[NH2+]Cc2cc(F)ccc2Cl)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001164490184 1029295563 /nfs/dbraw/zinc/29/55/63/1029295563.db2.gz BIOZSIIQDIFEAR-UKRRQHHQSA-N 1 0 369.824 2.520 20 5 FFBDRO O=C(NCCC1(C[NH2+]CC/C=C\c2ccccc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001164494880 1029297084 /nfs/dbraw/zinc/29/70/84/1029297084.db2.gz XDSAOYOCYDHSLZ-JKPUVNEQSA-N 1 0 357.454 2.631 20 5 FFBDRO O=[N+]([O-])c1ccc2c(ccnc2N2CC[NH+](CCc3ccncc3)CC2)c1 ZINC001165059231 1029355931 /nfs/dbraw/zinc/35/59/31/1029355931.db2.gz DDGMPQORBPQTAR-UHFFFAOYSA-N 1 0 363.421 2.903 20 5 FFBDRO CC[N@H+]([C@@H]1CCOC1)C1CCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC001165109355 1029397443 /nfs/dbraw/zinc/39/74/43/1029397443.db2.gz UOVUQINSPUKOBH-CYBMUJFWSA-N 1 0 354.838 2.723 20 5 FFBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N(C)[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1C ZINC001165184846 1029439784 /nfs/dbraw/zinc/43/97/84/1029439784.db2.gz YXBPZAUIUWRLPA-DNVCBOLYSA-N 1 0 370.453 2.883 20 5 FFBDRO COc1cc(C)nc(N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C)c1[N+](=O)[O-] ZINC001157166435 1029489416 /nfs/dbraw/zinc/48/94/16/1029489416.db2.gz HOPLBIZVPXJZJG-LBPRGKRZSA-N 1 0 368.434 2.558 20 5 FFBDRO Cc1ccc(-c2ccc(N3C[C@H]4CCC[N@@H+](C)[C@H]4C3)nn2)cc1[N+](=O)[O-] ZINC001157269207 1029529984 /nfs/dbraw/zinc/52/99/84/1029529984.db2.gz ASLXSVVQUDUPGZ-QAPCUYQASA-N 1 0 353.426 2.891 20 5 FFBDRO CCC[NH+]1C[C@@H]2CN(c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)nn3)C[C@H]2C1 ZINC001157698040 1029647663 /nfs/dbraw/zinc/64/76/63/1029647663.db2.gz AUYBKOAPYQXDJR-HUUCEWRRSA-N 1 0 371.416 2.969 20 5 FFBDRO CC(C)(C)[C@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@H]1O ZINC000782531058 1029733881 /nfs/dbraw/zinc/73/38/81/1029733881.db2.gz LGLXVEGCKHWEER-XJKSGUPXSA-N 1 0 367.421 2.791 20 5 FFBDRO Cc1cc(N(c2cc([N+](=O)[O-])c3cc[nH]c3n2)C2CC[NH2+]CC2)nc(C)n1 ZINC001158390870 1029818131 /nfs/dbraw/zinc/81/81/31/1029818131.db2.gz DQMGCEGWFBCWEH-UHFFFAOYSA-N 1 0 367.413 2.768 20 5 FFBDRO N=c1sc2c(n1-c1ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n1)CC[NH2+]C2 ZINC001166861980 1030553826 /nfs/dbraw/zinc/55/38/26/1030553826.db2.gz LOVWOVRATYOMBX-UHFFFAOYSA-N 1 0 371.397 2.773 20 5 FFBDRO C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)C1=O ZINC000842616759 1030828152 /nfs/dbraw/zinc/82/81/52/1030828152.db2.gz NIKPGBKIXBGMTO-AXHNFQJDSA-N 1 0 372.425 2.584 20 5 FFBDRO CC(C)[N@@H+]1CCC[C@@H](COC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000842835094 1030985326 /nfs/dbraw/zinc/98/53/26/1030985326.db2.gz DEFWBKVDNMDNCP-CQSZACIVSA-N 1 0 360.414 2.608 20 5 FFBDRO CC(C)Oc1cccc([C@@H](O)C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000843081848 1031173492 /nfs/dbraw/zinc/17/34/92/1031173492.db2.gz QSBNMBVVQBNCKG-MOPGFXCFSA-N 1 0 360.410 2.739 20 5 FFBDRO CC(C)Oc1ccc([C@@H](O)C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000843080909 1031174252 /nfs/dbraw/zinc/17/42/52/1031174252.db2.gz KNYBKKGGHJKVGP-RBUKOAKNSA-N 1 0 360.410 2.739 20 5 FFBDRO O=C(CC[NH2+][C@@H](CCO)Cc1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000843116263 1031192372 /nfs/dbraw/zinc/19/23/72/1031192372.db2.gz WLHADBIWEYSNDE-INIZCTEOSA-N 1 0 357.410 2.507 20 5 FFBDRO Cc1c(NC(=O)[C@H](C)Nc2ccc(OCC[NH3+])cc2)cccc1[N+](=O)[O-] ZINC000843367472 1031360626 /nfs/dbraw/zinc/36/06/26/1031360626.db2.gz RCUSOMJNHLSZGL-ZDUSSCGKSA-N 1 0 358.398 2.680 20 5 FFBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc(CCc2ccc3c(c2)CC[NH2+]C3)n1 ZINC001204929485 1031471737 /nfs/dbraw/zinc/47/17/37/1031471737.db2.gz ZUJUUAFEBSHUDM-UHFFFAOYSA-N 1 0 369.356 2.610 20 5 FFBDRO O=C(NCC1([NH2+]Cc2ccccc2Cl)CCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001115530638 1031787578 /nfs/dbraw/zinc/78/75/78/1031787578.db2.gz IRCMLEIKDBCCIM-GDBMZVCRSA-N 1 0 365.861 2.914 20 5 FFBDRO C[C@@H]1C[C@H]2CC[C@H](C(=O)NCc3cc([N+](=O)[O-])ccc3Cl)C[N@@H+]2C1 ZINC001150828044 1031790294 /nfs/dbraw/zinc/79/02/94/1031790294.db2.gz WEGAMYCAMSUKQV-MBNYWOFBSA-N 1 0 351.834 2.985 20 5 FFBDRO Cn1cc([N+](=O)[O-])c(C(=O)OC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)n1 ZINC000799632782 1031846513 /nfs/dbraw/zinc/84/65/13/1031846513.db2.gz PNIKHNCHYNPJRB-HNNXBMFYSA-N 1 0 358.398 2.540 20 5 FFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](CCO)Cc1ccccc1 ZINC000799731877 1031867894 /nfs/dbraw/zinc/86/78/94/1031867894.db2.gz ROJOXARDRPTYFQ-CRAIPNDOSA-N 1 0 371.437 2.895 20 5 FFBDRO CCN(C(=O)OC(C)(C)C)[C@H](C)C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC001205633214 1031888934 /nfs/dbraw/zinc/88/89/34/1031888934.db2.gz ITSKSIILHREDEY-IYXRBSQSSA-N 1 0 367.450 2.730 20 5 FFBDRO COc1cc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])c(Cl)cc1O ZINC001205708952 1031946073 /nfs/dbraw/zinc/94/60/73/1031946073.db2.gz MNLWTGKMUGEBLS-UHFFFAOYSA-N 1 0 351.790 2.928 20 5 FFBDRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000829791435 1033336334 /nfs/dbraw/zinc/33/63/34/1033336334.db2.gz DHZJYZRNKDJQFU-ZMYBRWDISA-N 1 0 366.421 2.831 20 5 FFBDRO O=[N+]([O-])c1ccc(CO[C@H]2CC[C@@H]([NH+]3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC001224102547 1033716879 /nfs/dbraw/zinc/71/68/79/1033716879.db2.gz ZIYWJWCAGMQBAO-FZNQNYSPSA-N 1 0 365.386 2.663 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)c1F ZINC000831204708 1033991299 /nfs/dbraw/zinc/99/12/99/1033991299.db2.gz IGCUZQMVTFAAAR-ZDUSSCGKSA-N 1 0 367.396 2.985 20 5 FFBDRO C[C@@H](C[N+](C)(C)C)OC[C@H]1CC2(CO1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001225120029 1034136225 /nfs/dbraw/zinc/13/62/25/1034136225.db2.gz KOEWIVAAIYVYJR-DLBZAZTESA-N 1 0 371.542 2.904 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])cc1O[C@@H]1CC[N@@H+]([C@H](C)c2ccccn2)C1 ZINC001225450447 1034258409 /nfs/dbraw/zinc/25/84/09/1034258409.db2.gz ICLIMGWLYDCTEU-UKRRQHHQSA-N 1 0 371.393 2.991 20 5 FFBDRO O=C1C[C@H]2C[C@@H](Oc3cccnc3[N+](=O)[O-])[C@@H](C1)N2Cc1ccccc1 ZINC001225633446 1034344436 /nfs/dbraw/zinc/34/44/36/1034344436.db2.gz RVQKYKVAAXMVJG-YXJHDRRASA-N 1 0 353.378 2.743 20 5 FFBDRO CC(=O)O[C@H]1C[C@@H]2C[C@H](Oc3cccc([N+](=O)[O-])c3Cl)C[C@H]1[N@@H+]2C ZINC001225788192 1034406640 /nfs/dbraw/zinc/40/66/40/1034406640.db2.gz KJFALQNLMSIGJX-MEDZGJRSSA-N 1 0 354.790 2.794 20 5 FFBDRO NC(=O)c1cc([N+](=O)[O-])ccc1OC1CC[NH+](Cc2ccccc2)CC1 ZINC001226163184 1034554042 /nfs/dbraw/zinc/55/40/42/1034554042.db2.gz AQOLXZJPBGPMMG-UHFFFAOYSA-N 1 0 355.394 2.737 20 5 FFBDRO CCOc1cccc(C[N@H+](CCO)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000832659928 1034898698 /nfs/dbraw/zinc/89/86/98/1034898698.db2.gz NHLJGKJMYYVUJI-LJQANCHMSA-N 1 0 360.410 2.521 20 5 FFBDRO Cc1ccc(OC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c([N+](=O)[O-])n1 ZINC001227221518 1034973774 /nfs/dbraw/zinc/97/37/74/1034973774.db2.gz AYYFUHBBGUIHEK-QGZVFWFLSA-N 1 0 357.410 2.968 20 5 FFBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N[C@@H](CC[NH3+])C(F)F)CC1 ZINC000834825553 1035458395 /nfs/dbraw/zinc/45/83/95/1035458395.db2.gz DGNPIGZDWPNRDW-AWEZNQCLSA-N 1 0 370.400 2.543 20 5 FFBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1nc2c(cc(Cl)cc2Cl)s1 ZINC001227580495 1035616617 /nfs/dbraw/zinc/61/66/17/1035616617.db2.gz BLAHGABJGXOQAR-SECBINFHSA-N 1 0 364.274 2.966 20 5 FFBDRO O=C(O[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000835396340 1035744716 /nfs/dbraw/zinc/74/47/16/1035744716.db2.gz MFGJSKNLEAEVKH-CABCVRRESA-N 1 0 356.382 2.564 20 5 FFBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1c(Cl)cc(F)cc1Br ZINC001227884443 1035784651 /nfs/dbraw/zinc/78/46/51/1035784651.db2.gz OWUHREGPRPJBSS-SECBINFHSA-N 1 0 369.638 2.604 20 5 FFBDRO O=c1[n-]c(C2CC2)nc(O[C@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC001228606284 1036200084 /nfs/dbraw/zinc/20/00/84/1036200084.db2.gz OHELFRXAJZBXRH-AWEZNQCLSA-N 1 0 356.382 2.621 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1C[C@@H](C)Oc1ccc(C(=O)CC[NH+](C)C)cc1 ZINC001229302656 1036602121 /nfs/dbraw/zinc/60/21/21/1036602121.db2.gz LXVBTAQFIOPLBR-CYBMUJFWSA-N 1 0 360.414 2.702 20 5 FFBDRO CC(=O)O[C@@H]1C[C@@H]2C[C@H](Oc3ccc(Cl)cc3[N+](=O)[O-])C[C@H]1[N@@H+]2C ZINC001229380733 1036644108 /nfs/dbraw/zinc/64/41/08/1036644108.db2.gz NWJIJAHQSHHGKS-BCUIYNNISA-N 1 0 354.790 2.794 20 5 FFBDRO COc1c(O)cc(O[C@H](C)C[NH+](C)C)c2c(=O)c3ccccc3n(C)c12 ZINC001234170438 1036954439 /nfs/dbraw/zinc/95/44/39/1036954439.db2.gz HYGPPGHCDOMSQS-GFCCVEGCSA-N 1 0 356.422 2.735 20 5 FFBDRO CCOC(=O)Cc1ccc([N+](=O)[O-])c(O[C@H]2CC[C@H]([NH+](C)C)CC2)c1 ZINC001234411827 1037026086 /nfs/dbraw/zinc/02/60/86/1037026086.db2.gz WGVCOGZIMSDHBT-SHTZXODSSA-N 1 0 350.415 2.952 20 5 FFBDRO C[NH+]1CCC(n2cc(NCc3nc4cc([N+](=O)[O-])ccc4o3)cn2)CC1 ZINC001207118051 1037160853 /nfs/dbraw/zinc/16/08/53/1037160853.db2.gz ACILFPUMVTWUCF-UHFFFAOYSA-N 1 0 356.386 2.811 20 5 FFBDRO Cc1ccc(OC[C@H]2CCC3(CC[NH+](C)CC3)O2)c([N+](=O)[O-])c1[N+](=O)[O-] ZINC001230485693 1037290983 /nfs/dbraw/zinc/29/09/83/1037290983.db2.gz UAOZUWVEVPWCAR-CYBMUJFWSA-N 1 0 365.386 2.834 20 5 FFBDRO C[C@@H](C[N+](C)(C)C)Oc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001231236084 1037507973 /nfs/dbraw/zinc/50/79/73/1037507973.db2.gz IBDNCEDPKVVFMV-QMMMGPOBSA-N 1 0 352.289 2.995 20 5 FFBDRO COC(=O)COc1ccc(C[N@H+](C)[C@@H]2CC[C@@H](SC)C2)cc1[N+](=O)[O-] ZINC001255648839 1038100211 /nfs/dbraw/zinc/10/02/11/1038100211.db2.gz KNKDZHRVQCSYPC-ZIAGYGMSSA-N 1 0 368.455 2.863 20 5 FFBDRO COc1cc(N2CCC([NH2+][C@@]3(C)CCCN(C)C3)CC2)ccc1[N+](=O)[O-] ZINC001256092401 1038377815 /nfs/dbraw/zinc/37/78/15/1038377815.db2.gz MAGODPXINAPQHM-IBGZPJMESA-N 1 0 362.474 2.646 20 5 FFBDRO COc1cc(N2CCC([N@H+]3CCC(=O)[C@@H](F)CC3)CC2)ccc1[N+](=O)[O-] ZINC001256093398 1038380202 /nfs/dbraw/zinc/38/02/02/1038380202.db2.gz KYNFJXNIECNRCI-HNNXBMFYSA-N 1 0 365.405 2.575 20 5 FFBDRO COc1cc(N2CCC(N3CC[NH+](CC4CC4)CC3)CC2)ccc1[N+](=O)[O-] ZINC001256099833 1038384291 /nfs/dbraw/zinc/38/42/91/1038384291.db2.gz YDEJTHHPVLDRBY-UHFFFAOYSA-N 1 0 374.485 2.600 20 5 FFBDRO COc1cc(N2CCC([NH+]3CCC(N4CCC4)CC3)CC2)ccc1[N+](=O)[O-] ZINC001256103817 1038388099 /nfs/dbraw/zinc/38/80/99/1038388099.db2.gz PGRROHVKOZMNAE-UHFFFAOYSA-N 1 0 374.485 2.742 20 5 FFBDRO Cc1sc(-c2nnc(CC[NH+]3C[C@@H](C)O[C@H](C)C3)o2)cc1[N+](=O)[O-] ZINC001258132379 1039209105 /nfs/dbraw/zinc/20/91/05/1039209105.db2.gz TVZKMPOVPIPNIC-NXEZZACHSA-N 1 0 352.416 2.666 20 5 FFBDRO COc1cc(N2CCC([N@@H+]3C[C@@H](C)CC[C@H]3CN)CC2)ccc1[N+](=O)[O-] ZINC001246555916 1039396629 /nfs/dbraw/zinc/39/66/29/1039396629.db2.gz INGQHGQDNATJBQ-YOEHRIQHSA-N 1 0 362.474 2.631 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CC[C@@]3(C2)CCC[NH2+]C3)c1F ZINC001246600011 1039411022 /nfs/dbraw/zinc/41/10/22/1039411022.db2.gz CNTAXULRMWHZGN-UGSOOPFHSA-N 1 0 351.422 2.749 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CCC[C@@]3(CCC[NH2+]3)C2)c1F ZINC001246615625 1039416890 /nfs/dbraw/zinc/41/68/90/1039416890.db2.gz CXXREVWHYWHQGT-UGSOOPFHSA-N 1 0 351.422 2.892 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CC[C@H]3[NH2+]CCC[C@H]3C2)c1F ZINC001247006829 1039575729 /nfs/dbraw/zinc/57/57/29/1039575729.db2.gz AZBBGNLDDHBLJE-KCQAQPDRSA-N 1 0 351.422 2.747 20 5 FFBDRO C[C@@H]1C[NH2+]CCN1Cc1nc(-c2ccc3ccc4cccnc4c3n2)no1 ZINC001248313843 1040224785 /nfs/dbraw/zinc/22/47/85/1040224785.db2.gz ZALQPNSVXDVYJT-CYBMUJFWSA-N 1 0 360.421 2.627 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)ccc1Cc1nc(-c2ccc3c(n2)CC[NH2+]C3)no1 ZINC001249116902 1040586917 /nfs/dbraw/zinc/58/69/17/1040586917.db2.gz PUUCRLCHEPITTK-UHFFFAOYSA-N 1 0 371.784 2.930 20 5 FFBDRO [NH3+]C[C@@H]1Cc2ccccc2CN1C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254472509 1040739611 /nfs/dbraw/zinc/73/96/11/1040739611.db2.gz ARYLZTSZDXIZNS-NRFANRHFSA-N 1 0 366.465 2.949 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH+]3CCN(c4cccnc4)CC3)CC2)cc1 ZINC001254473845 1040740641 /nfs/dbraw/zinc/74/06/41/1040740641.db2.gz ILKOJKVMHRVBBI-UHFFFAOYSA-N 1 0 367.453 2.781 20 5 FFBDRO CCOC(=O)[C@H]1CC[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254476111 1040743305 /nfs/dbraw/zinc/74/33/05/1040743305.db2.gz MHUZNPHJOGQINW-GOEBONIOSA-N 1 0 361.442 2.885 20 5 FFBDRO COC(=O)C[C@@H]1CCC[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254480399 1040748332 /nfs/dbraw/zinc/74/83/32/1040748332.db2.gz FOMNERXSVRBTRY-HNNXBMFYSA-N 1 0 361.442 2.839 20 5 FFBDRO CN1C(=O)CCC12CC[NH+](C1CCN(c3ccc([N+](=O)[O-])cc3)CC1)CC2 ZINC001254482656 1040749598 /nfs/dbraw/zinc/74/95/98/1040749598.db2.gz LEKDIGLRIJYZLH-UHFFFAOYSA-N 1 0 372.469 2.650 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CC[C@H](Oc4cnccn4)C3)CC2)cc1 ZINC001254482069 1040749887 /nfs/dbraw/zinc/74/98/87/1040749887.db2.gz HQOUESHRHCIKGQ-SFHVURJKSA-N 1 0 369.425 2.507 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccc(N2CCOCC2=O)c1 ZINC001254544340 1040791219 /nfs/dbraw/zinc/79/12/19/1040791219.db2.gz JARWVZHONMDZCY-HNNXBMFYSA-N 1 0 369.421 2.679 20 5 FFBDRO CCOC[C@@H]1C[N@@H+]([C@@H](C)Cc2ccccc2[N+](=O)[O-])Cc2cnn(C)c21 ZINC001254560675 1040797520 /nfs/dbraw/zinc/79/75/20/1040797520.db2.gz HAQHAFPOKAPWLS-YOEHRIQHSA-N 1 0 358.442 2.895 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1C[C@H]2CN(Cc3ccccn3)C[C@@H]2C1 ZINC001254560955 1040797567 /nfs/dbraw/zinc/79/75/67/1040797567.db2.gz IOPSDROTWBMVTC-BHIYHBOVSA-N 1 0 366.465 2.985 20 5 FFBDRO CCn1ncc2c1[C@@H](COC)C[N@@H+]([C@@H](C)Cc1ccccc1[N+](=O)[O-])C2 ZINC001254562213 1040798729 /nfs/dbraw/zinc/79/87/29/1040798729.db2.gz PKEIBMREPOFLGQ-WMLDXEAASA-N 1 0 358.442 2.988 20 5 FFBDRO CC(C)N(c1ncnc2c1CC[NH2+]CC2)[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254563007 1040799016 /nfs/dbraw/zinc/79/90/16/1040799016.db2.gz WAVAGNBSLOIPAD-HNNXBMFYSA-N 1 0 369.469 2.919 20 5 FFBDRO CC(C)(C)OC(=O)N1C[C@@H]2[C@H]([NH2+][C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@@H]2C1 ZINC001254575427 1040811048 /nfs/dbraw/zinc/81/10/48/1040811048.db2.gz QRIPQMVWIJAQKX-MXSMSXNCSA-N 1 0 373.453 2.907 20 5 FFBDRO COc1ccc2c(c1)NC(=O)C[C@@H]2C[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254579600 1040812690 /nfs/dbraw/zinc/81/26/90/1040812690.db2.gz UGUKTNYAJOXLCY-CABCVRRESA-N 1 0 367.405 2.786 20 5 FFBDRO COC(=O)c1ccc2c(c1)[C@H]([NH2+][C@H]1Cc3ccc([N+](=O)[O-])cc3C1)CCO2 ZINC001254589790 1040819596 /nfs/dbraw/zinc/81/95/96/1040819596.db2.gz RBRLUXIBMLNEKK-MAUKXSAKSA-N 1 0 368.389 2.962 20 5 FFBDRO CC(C)CC1([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCS(=O)(=O)CC1 ZINC001254589137 1040820860 /nfs/dbraw/zinc/82/08/60/1040820860.db2.gz MTSHVJTXKFDIOT-INIZCTEOSA-N 1 0 366.483 2.645 20 5 FFBDRO CCOC[C@H]1C[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)Cc2cnn(CC)c21 ZINC001254594262 1040821926 /nfs/dbraw/zinc/82/19/26/1040821926.db2.gz CQTRVZGFUAQVAC-MJGOQNOKSA-N 1 0 370.453 2.914 20 5 FFBDRO CCO[C@H]1CC[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)[C@H]1Cc1cnn(C)c1 ZINC001254596952 1040827689 /nfs/dbraw/zinc/82/76/89/1040827689.db2.gz SWCQFRRVLKMEHO-UFYCRDLUSA-N 1 0 370.453 2.518 20 5 FFBDRO COC(=O)[C@@H]1C[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@H]1c1ccccc1 ZINC001254605361 1040835162 /nfs/dbraw/zinc/83/51/62/1040835162.db2.gz BMOMYFNJIKNFGO-HSALFYBXSA-N 1 0 366.417 2.951 20 5 FFBDRO COc1cc(N([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C2CC[NH2+]CC2)ccn1 ZINC001254610658 1040838833 /nfs/dbraw/zinc/83/88/33/1040838833.db2.gz MJEOQRIEAPEVSD-LJQANCHMSA-N 1 0 368.437 2.724 20 5 FFBDRO O=C(NC1CC[NH+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1)N1CCCCC1 ZINC001254611287 1040839271 /nfs/dbraw/zinc/83/92/71/1040839271.db2.gz PBRVPNZIVHOELZ-LJQANCHMSA-N 1 0 372.469 2.722 20 5 FFBDRO O=C(Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001261630305 1041340575 /nfs/dbraw/zinc/34/05/75/1041340575.db2.gz IUEICYPLIJTIOL-SFHVURJKSA-N 1 0 368.393 2.803 20 5 FFBDRO CC(C)(C)[NH+]1CCN(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)CC1 ZINC001261676696 1041366311 /nfs/dbraw/zinc/36/63/11/1041366311.db2.gz RLISPCRCMILLPR-UHFFFAOYSA-N 1 0 355.826 2.778 20 5 FFBDRO CCn1c(-c2c[nH]c([N+](=O)[O-])c2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001263029227 1042047160 /nfs/dbraw/zinc/04/71/60/1042047160.db2.gz CNTGHPKBNNHFOI-UHFFFAOYSA-N 1 0 373.461 2.656 20 5 FFBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC001263193510 1042162320 /nfs/dbraw/zinc/16/23/20/1042162320.db2.gz KJTLNCGQRSURDX-MNOVXSKESA-N 1 0 363.361 2.668 20 5 FFBDRO CC(C)Cn1c([C@@H](C)[N+](=O)[O-])nnc1N1CC[NH+](Cc2ccccc2)CC1 ZINC001263416181 1042294579 /nfs/dbraw/zinc/29/45/79/1042294579.db2.gz YYDJICPGBHTYDD-MRXNPFEDSA-N 1 0 372.473 2.594 20 5 FFBDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)Nc1ccc([N+](=O)[O-])c2ccccc12 ZINC001263653931 1042421321 /nfs/dbraw/zinc/42/13/21/1042421321.db2.gz MAXBBBAUXOQHRK-CQSZACIVSA-N 1 0 371.441 2.505 20 5 FFBDRO CCOc1cc(NC(=O)N[C@@H]2CC[N@H+](C)[C@H]2C)c([N+](=O)[O-])cc1OCC ZINC001309999360 1043621721 /nfs/dbraw/zinc/62/17/21/1043621721.db2.gz BIEXEXYXHKCTRY-NWDGAFQWSA-N 1 0 366.418 2.606 20 5 FFBDRO O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC001310265026 1043659821 /nfs/dbraw/zinc/65/98/21/1043659821.db2.gz ZXARSYAFBUZUIB-OCCSQVGLSA-N 1 0 370.862 2.950 20 5 FFBDRO C[NH+](C)CC[C@@H](NC(=O)NCCc1cccc([N+](=O)[O-])c1)c1cccnc1 ZINC001312426926 1044113780 /nfs/dbraw/zinc/11/37/80/1044113780.db2.gz MHMFAFTZNWOWKE-GOSISDBHSA-N 1 0 371.441 2.525 20 5 FFBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCCC[C@@H]2[NH+](C)C)cc1OC ZINC001318672387 1044801749 /nfs/dbraw/zinc/80/17/49/1044801749.db2.gz SKQYNJHPLROUHI-KBPBESRZSA-N 1 0 365.430 2.605 20 5 FFBDRO C[NH+]1CCN(c2ccccc2C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001318869110 1044915142 /nfs/dbraw/zinc/91/51/42/1044915142.db2.gz PBRLYTYDYCCCIT-UHFFFAOYSA-N 1 0 366.421 2.503 20 5 FFBDRO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001318960255 1044959706 /nfs/dbraw/zinc/95/97/06/1044959706.db2.gz VHHDLWHWGZZLJN-GFCCVEGCSA-N 1 0 368.231 2.668 20 5 FFBDRO CN(CC(C)(C)C[NH2+]Cc1ccc(C2CC2)cc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001282295092 1045483603 /nfs/dbraw/zinc/48/36/03/1045483603.db2.gz NUGHNEQYWUXVKZ-QZTJIDSGSA-N 1 0 359.470 2.803 20 5 FFBDRO COCC[N@@H+]1CCC[C@H](Nc2ncnc3c(Cl)cc([N+](=O)[O-])cc23)C1 ZINC001328689378 1048421128 /nfs/dbraw/zinc/42/11/28/1048421128.db2.gz PYIDAZVQZKSJFK-NSHDSACASA-N 1 0 365.821 2.714 20 5 FFBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCN(c2cnn(C)c2)C1 ZINC001329642209 1048826860 /nfs/dbraw/zinc/82/68/60/1048826860.db2.gz GEEGCALOIMFIKS-QWHCGFSZSA-N 1 0 361.471 2.980 20 5 FFBDRO O=C(NC1(C[NH2+]Cc2ccc3c(c2)CCC3)CCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001329818654 1048925188 /nfs/dbraw/zinc/92/51/88/1048925188.db2.gz NMGHGMORBWZKGA-RTBURBONSA-N 1 0 371.481 2.749 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)C(F)(F)c3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC001334446101 1049426565 /nfs/dbraw/zinc/42/65/65/1049426565.db2.gz WPMRWDJRVOGJNT-DVOMOZLQSA-N 1 0 367.396 2.875 20 5 FFBDRO CN(C)Cc1ccc(NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)cc1Cl ZINC001297271771 1050136711 /nfs/dbraw/zinc/13/67/11/1050136711.db2.gz KVSGVPYQCDVQMS-UHFFFAOYSA-N 1 0 358.185 2.939 20 5 FFBDRO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC001341541858 1050171131 /nfs/dbraw/zinc/17/11/31/1050171131.db2.gz YESRGDIDQFENIR-WFASDCNBSA-N 1 0 351.834 2.781 20 5 FFBDRO O=C([C@@H]1CC[NH2+][C@H]([C@@H]2CCCO2)C1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001341702603 1050323401 /nfs/dbraw/zinc/32/34/01/1050323401.db2.gz DUUIXGVJOJWPBV-MNEFBYGVSA-N 1 0 373.453 2.633 20 5 FFBDRO O=C([C@@H]1CC[NH2+][C@@H]([C@H]2CCCO2)C1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001341702595 1050323788 /nfs/dbraw/zinc/32/37/88/1050323788.db2.gz DUUIXGVJOJWPBV-ATZDWAIDSA-N 1 0 373.453 2.633 20 5 FFBDRO C[C@@H](c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1Cc1ccccc1)[N+](=O)[O-] ZINC001342144429 1050737649 /nfs/dbraw/zinc/73/76/49/1050737649.db2.gz HTXJUICYORCOKZ-HNNXBMFYSA-N 1 0 372.473 2.585 20 5 FFBDRO C[C@H](c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1Cc1ccccc1)[N+](=O)[O-] ZINC001342144431 1050738414 /nfs/dbraw/zinc/73/84/14/1050738414.db2.gz HTXJUICYORCOKZ-OAHLLOKOSA-N 1 0 372.473 2.585 20 5 FFBDRO CCN(C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC001342186909 1050777488 /nfs/dbraw/zinc/77/74/88/1050777488.db2.gz DJUYITFWCADHQL-UHFFFAOYSA-N 1 0 357.863 2.941 20 5 FFBDRO O=C(N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC001342982534 1051598492 /nfs/dbraw/zinc/59/84/92/1051598492.db2.gz MMDPYKAGVKEVTJ-KXBFYZLASA-N 1 0 353.378 2.581 20 5 FFBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC001343101882 1051719854 /nfs/dbraw/zinc/71/98/54/1051719854.db2.gz CWSVBOKAMYEYIO-YLJYHZDGSA-N 1 0 367.405 2.509 20 5 FFBDRO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)C2 ZINC001343119801 1051739016 /nfs/dbraw/zinc/73/90/16/1051739016.db2.gz NQFUODARCNZULY-DZKIICNBSA-N 1 0 358.442 2.537 20 5 FFBDRO Cc1cc(NC(=O)NC2CC[NH+](CCOC(C)C)CC2)cc([N+](=O)[O-])c1 ZINC001344874220 1052089987 /nfs/dbraw/zinc/08/99/87/1052089987.db2.gz BWBKUMOZOVCXEO-UHFFFAOYSA-N 1 0 364.446 2.914 20 5 FFBDRO CC(C)C[N@@H+]1CCO[C@H](CNc2ccc([N+](=O)[O-])c(OC(C)C)n2)C1 ZINC001306919208 1052221003 /nfs/dbraw/zinc/22/10/03/1052221003.db2.gz ZONFNBSYEDQTAF-CQSZACIVSA-N 1 0 352.435 2.546 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CCN1CC[N@H+](Cc2ccccc2)[C@H](C(C)C)C1 ZINC001307930981 1052368446 /nfs/dbraw/zinc/36/84/46/1052368446.db2.gz NBGFQPRUQSJEMP-IBGZPJMESA-N 1 0 371.485 2.942 20 5 FFBDRO [NH3+]C[C@]12CC[C@@H]1CCCN2C(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC001345344218 1052395189 /nfs/dbraw/zinc/39/51/89/1052395189.db2.gz AZZNREXXEOZDCF-YVEFUNNKSA-N 1 0 351.834 2.911 20 5 FFBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC001308067295 1052398403 /nfs/dbraw/zinc/39/84/03/1052398403.db2.gz AOWLJYGAVQQNRH-MBNYWOFBSA-N 1 0 366.849 2.744 20 5 FFBDRO [NH3+]CC1([C@@H]2CCCCN2C(=O)CCOc2ccccc2[N+](=O)[O-])CCC1 ZINC001345370653 1052409110 /nfs/dbraw/zinc/40/91/10/1052409110.db2.gz MFXRVEZZMVNIKH-KRWDZBQOSA-N 1 0 361.442 2.874 20 5 FFBDRO CC(C)[C@H]1CCC[C@H]([NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001308249194 1052436766 /nfs/dbraw/zinc/43/67/66/1052436766.db2.gz BDIZKHBWHIGACG-GJZGRUSLSA-N 1 0 369.487 2.678 20 5 FFBDRO CC[C@H]1CCC[C@H]([NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001308259256 1052438264 /nfs/dbraw/zinc/43/82/64/1052438264.db2.gz PEBUEKBPVPUCHX-GJZGRUSLSA-N 1 0 369.487 2.822 20 5 FFBDRO NC(=O)C[C@@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C1CCOCC1 ZINC001308357939 1052449950 /nfs/dbraw/zinc/44/99/50/1052449950.db2.gz NTYBNKSKYGVPQN-QGZVFWFLSA-N 1 0 373.409 2.615 20 5 FFBDRO O=C(N1CCCC1)N1CCC[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC001308760058 1052495637 /nfs/dbraw/zinc/49/56/37/1052495637.db2.gz PZGGVHYDRKJDLY-ZDUSSCGKSA-N 1 0 373.413 2.506 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]Cc2cccnc2N2CCCCC2)cc1 ZINC001346123935 1052758923 /nfs/dbraw/zinc/75/89/23/1052758923.db2.gz XNRVXCXOXAZQHB-GOSISDBHSA-N 1 0 356.426 2.803 20 5 FFBDRO CN1CC[NH+](CC2CCN(c3ccnc4ccc([N+](=O)[O-])cc43)CC2)CC1 ZINC001336477008 1054015613 /nfs/dbraw/zinc/01/56/13/1054015613.db2.gz PLOPFUNVZXOCMZ-UHFFFAOYSA-N 1 0 369.469 2.607 20 5 FFBDRO CC(C)Cn1c([C@H](C)[N+](=O)[O-])nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001347610070 1054153141 /nfs/dbraw/zinc/15/31/41/1054153141.db2.gz BHIVUDHBCUJJDH-AWEZNQCLSA-N 1 0 352.483 2.582 20 5 FFBDRO Cc1c(CNC(=O)N2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)cccc1[N+](=O)[O-] ZINC001336809350 1054247036 /nfs/dbraw/zinc/24/70/36/1054247036.db2.gz ZNUIZWQQXLXTTO-YESZJQIVSA-N 1 0 360.458 2.775 20 5 FFBDRO CC[C@](O)(CCC(F)(F)F)C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001336855475 1054289992 /nfs/dbraw/zinc/28/99/92/1054289992.db2.gz VQMFEBACQNGTQH-KBPBESRZSA-N 1 0 350.337 2.701 20 5 FFBDRO C[C@@H]1CN(c2ncc([N+](=O)[O-])c3ccccc32)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC001337387052 1054709111 /nfs/dbraw/zinc/70/91/11/1054709111.db2.gz HPRGDVOPSADTJH-QAPCUYQASA-N 1 0 369.469 2.605 20 5 FFBDRO C[C@@H](NC(=O)c1ccccc1N1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC001337872302 1055075724 /nfs/dbraw/zinc/07/57/24/1055075724.db2.gz PCSLGEFLBSHUER-OAHLLOKOSA-N 1 0 368.437 2.838 20 5 FFBDRO O=[N+]([O-])CC[NH2+][C@@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC001356031945 1055231361 /nfs/dbraw/zinc/23/13/61/1055231361.db2.gz GCOONFZQGIBEBT-HNNXBMFYSA-N 1 0 350.216 2.994 20 5 FFBDRO C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001338334989 1055427620 /nfs/dbraw/zinc/42/76/20/1055427620.db2.gz IBSBOSJDODELGJ-SLBVQIDZSA-N 1 0 358.442 2.577 20 5 FFBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NCC12CCC[NH+](CCC1)C2 ZINC001352463884 1055498919 /nfs/dbraw/zinc/49/89/19/1055498919.db2.gz AONPALCBNBXKEN-UHFFFAOYSA-N 1 0 356.426 2.542 20 5 FFBDRO Cn1ccnc1[C@H](Cc1ccccc1)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001356620125 1055619012 /nfs/dbraw/zinc/61/90/12/1055619012.db2.gz CDMICLXZJZQYPU-OALUTQOASA-N 1 0 366.421 2.935 20 5 FFBDRO O=C(NCC12CCC[NH+](CCC1)C2)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001350110445 1055627479 /nfs/dbraw/zinc/62/74/79/1055627479.db2.gz BCHNREDXTPFDOU-UHFFFAOYSA-N 1 0 353.369 2.679 20 5 FFBDRO COc1ccc([C@H]2C[NH2+]CCN2C(=O)CCc2cccc([N+](=O)[O-])c2)cc1 ZINC001353114016 1056081095 /nfs/dbraw/zinc/08/10/95/1056081095.db2.gz SDRDGLCTFMVWSW-LJQANCHMSA-N 1 0 369.421 2.709 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ccc(CNC[C@H]3C[N@@H+]4CCC[C@H]4CO3)o2)cc1 ZINC001200267440 1056189391 /nfs/dbraw/zinc/18/93/91/1056189391.db2.gz FYBIJGJDIHRLNH-WMZOPIPTSA-N 1 0 357.410 2.808 20 5 FFBDRO C[C@@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)CCC(=O)N2 ZINC001353232656 1056212905 /nfs/dbraw/zinc/21/29/05/1056212905.db2.gz WZRQJZPPTANXFN-KZULUSFZSA-N 1 0 355.394 2.864 20 5 FFBDRO Nc1ncc(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)cc1[N+](=O)[O-] ZINC001544953423 1071715921 /nfs/dbraw/zinc/71/59/21/1071715921.db2.gz RTKOUSPVTOZXFE-UHFFFAOYSA-N 1 0 369.425 2.853 20 5 FFBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC001444945418 1058348228 /nfs/dbraw/zinc/34/82/28/1058348228.db2.gz CTRORHYJMXABCE-ZIAGYGMSSA-N 1 0 372.425 2.511 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[N@@H+](C)C[C@@H]2CC(C)C)c1 ZINC001456222377 1060055233 /nfs/dbraw/zinc/05/52/33/1060055233.db2.gz REPLSXUBWRSALB-INIZCTEOSA-N 1 0 363.458 2.861 20 5 FFBDRO CCC[N@H+](C)C[C@H]1CCN(CN2CC[C@H](c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000848481052 1060111744 /nfs/dbraw/zinc/11/17/44/1060111744.db2.gz VQNAJGRWCPLDFI-VQIMIIECSA-N 1 0 374.485 2.532 20 5 FFBDRO Cc1cnc(CCN(C)CN2CC[C@H](c3ccc([N+](=O)[O-])cc3)C2=O)s1 ZINC000848482302 1060116516 /nfs/dbraw/zinc/11/65/16/1060116516.db2.gz LDSBCLPCPIFVTQ-MRXNPFEDSA-N 1 0 374.466 2.808 20 5 FFBDRO COc1ccc(OC)c([C@@H](O)C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000848522838 1060213749 /nfs/dbraw/zinc/21/37/49/1060213749.db2.gz YJAALBOFZSDHOU-AEFFLSMTSA-N 1 0 358.394 2.923 20 5 FFBDRO O=C1O[C@H](C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CN1C1CC1 ZINC000848570919 1060292734 /nfs/dbraw/zinc/29/27/34/1060292734.db2.gz NTSRRFRAJQSJTK-IAOVAPTHSA-N 1 0 359.426 2.879 20 5 FFBDRO Cc1nnc(N(C)CCc2ccccc2[N+](=O)[O-])n1CC[N@H+]1CCC[C@H]1C ZINC001511792688 1060413767 /nfs/dbraw/zinc/41/37/67/1060413767.db2.gz DOXGNTPHNCAQFC-OAHLLOKOSA-N 1 0 372.473 2.658 20 5 FFBDRO COCC[N@H+](C)CCCNc1c2cccc(Cl)c2ncc1[N+](=O)[O-] ZINC001458100718 1060514264 /nfs/dbraw/zinc/51/42/64/1060514264.db2.gz KYRRWQAGEQFSRM-UHFFFAOYSA-N 1 0 352.822 2.599 20 5 FFBDRO CC[C@H]1C[N@H+](CC)CCN1C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC001460039686 1060880454 /nfs/dbraw/zinc/88/04/54/1060880454.db2.gz NZIOKPAHDJBDQH-AWEZNQCLSA-N 1 0 369.849 2.960 20 5 FFBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC001460712798 1061072446 /nfs/dbraw/zinc/07/24/46/1061072446.db2.gz XRPWOABCCWVTPD-HUUCEWRRSA-N 1 0 369.425 2.528 20 5 FFBDRO O=C([C@@H]1CC[NH2+][C@H]([C@@H]2CCCO2)C1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001521864813 1061178149 /nfs/dbraw/zinc/17/81/49/1061178149.db2.gz PLRCVCZMVSWXIP-MNEFBYGVSA-N 1 0 373.453 2.633 20 5 FFBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CCCOC2CCOCC2)c1 ZINC001461235254 1061262375 /nfs/dbraw/zinc/26/23/75/1061262375.db2.gz WGCIPLABHQNKIM-UHFFFAOYSA-N 1 0 360.357 2.872 20 5 FFBDRO CC(C)(C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)S(C)(=O)=O ZINC001461254319 1061266995 /nfs/dbraw/zinc/26/69/95/1061266995.db2.gz IHPVHSCIECKJPC-UHFFFAOYSA-N 1 0 352.412 2.768 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC001462123345 1061509227 /nfs/dbraw/zinc/50/92/27/1061509227.db2.gz OFZXLWWROVHHNW-WMLDXEAASA-N 1 0 368.437 2.796 20 5 FFBDRO O=[N+]([O-])c1ccc2oc(CNc3cccc(C[N@H+]4CC[C@H](O)C4)c3)nc2c1 ZINC001462277370 1061566264 /nfs/dbraw/zinc/56/62/64/1061566264.db2.gz VIWNOMWYHGQMJX-INIZCTEOSA-N 1 0 368.393 2.915 20 5 FFBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)Nc3ccc(O)cc3)c2)CC1 ZINC001477130829 1061594342 /nfs/dbraw/zinc/59/43/42/1061594342.db2.gz WKRNBAGOZUVVFJ-UHFFFAOYSA-N 1 0 371.397 2.696 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001463269459 1062024361 /nfs/dbraw/zinc/02/43/61/1062024361.db2.gz DZZCVMSASMLNFP-KCQAQPDRSA-N 1 0 369.487 2.548 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC[C@@H]1[C@H](C)C[NH+](C)C ZINC001464170397 1062462093 /nfs/dbraw/zinc/46/20/93/1062462093.db2.gz ZCTZTNROWBSCCZ-GDBMZVCRSA-N 1 0 369.487 2.644 20 5 FFBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NC1(C2CC[NH2+]CC2)CC1 ZINC001523494043 1062492484 /nfs/dbraw/zinc/49/24/84/1062492484.db2.gz QNOGSWFWFPYLES-UHFFFAOYSA-N 1 0 355.797 2.578 20 5 FFBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001438843565 1063052890 /nfs/dbraw/zinc/05/28/90/1063052890.db2.gz RULPCWZTZGOARV-GFCCVEGCSA-N 1 0 374.363 2.626 20 5 FFBDRO Nc1c(Cl)cc(C(=O)NCC2CC[NH+](CC3CC3)CC2)cc1[N+](=O)[O-] ZINC001470491056 1064350178 /nfs/dbraw/zinc/35/01/78/1064350178.db2.gz BVPBWOFLKSFBSM-UHFFFAOYSA-N 1 0 366.849 2.682 20 5 FFBDRO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001470781683 1064448325 /nfs/dbraw/zinc/44/83/25/1064448325.db2.gz XYPKRKSYSRHBEO-IFXJQAMLSA-N 1 0 368.437 2.817 20 5 FFBDRO CC1CC[NH+](CC[C@H]2CCCN2C(=O)c2[nH]nc([N+](=O)[O-])c2Cl)CC1 ZINC001471160764 1064584009 /nfs/dbraw/zinc/58/40/09/1064584009.db2.gz VESBLZNQUWTUAZ-GFCCVEGCSA-N 1 0 369.853 2.698 20 5 FFBDRO CC[NH+](CC)CC[C@@H](C)NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001472430348 1065058437 /nfs/dbraw/zinc/05/84/37/1065058437.db2.gz NTZIKMDJQKNLPL-CYBMUJFWSA-N 1 0 359.430 2.835 20 5 FFBDRO O=[N+]([O-])c1ccc2ncnc(N3CC[NH2+][C@H](Cc4ccc(F)cc4)C3)c2c1 ZINC001472907047 1065172692 /nfs/dbraw/zinc/17/26/92/1065172692.db2.gz YKLZSRFBFIIGLN-OAHLLOKOSA-N 1 0 367.384 2.698 20 5 FFBDRO CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H]([NH2+]CC[N+](=O)[O-])C1 ZINC001473632348 1065302398 /nfs/dbraw/zinc/30/23/98/1065302398.db2.gz XGMCJRRWFINNBZ-HZPDHXFCSA-N 1 0 367.421 2.785 20 5 FFBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC001473767929 1065353408 /nfs/dbraw/zinc/35/34/08/1065353408.db2.gz PWJYBKWMINKABT-MRXNPFEDSA-N 1 0 371.393 2.931 20 5 FFBDRO CC(C)(C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1)c1ccc([N+](=O)[O-])cc1F ZINC001576475889 1078233210 /nfs/dbraw/zinc/23/32/10/1078233210.db2.gz BSPDZIIJYCVQIG-GFCCVEGCSA-N 1 0 351.422 2.906 20 5 FFBDRO C[C@@]1(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])CC[NH2+]C1 ZINC001576541768 1078240653 /nfs/dbraw/zinc/24/06/53/1078240653.db2.gz PNAMVBABVZXYSP-LJQANCHMSA-N 1 0 355.394 2.656 20 5 FFBDRO CC1=CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCC[NH2+]2)C1 ZINC001576555738 1078243048 /nfs/dbraw/zinc/24/30/48/1078243048.db2.gz JGZUGQKWVXKZPT-MRXNPFEDSA-N 1 0 368.441 2.762 20 5 FFBDRO CC[C@@H]1[C@@H](C)CCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[NH2+]C ZINC001577237402 1078322070 /nfs/dbraw/zinc/32/20/70/1078322070.db2.gz SVXDQQUZVAMPGT-XJKSGUPXSA-N 1 0 358.446 2.698 20 5 FFBDRO CCN(CC[NH3+])C(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC001577721144 1078391745 /nfs/dbraw/zinc/39/17/45/1078391745.db2.gz YCOWQFZCRYTHKX-ZDUSSCGKSA-N 1 0 357.414 2.584 20 5 FFBDRO C[N@H+](CCCNc1cc(-c2nn[nH]n2)sc1[N+](=O)[O-])Cc1ccccc1 ZINC001579128121 1078572227 /nfs/dbraw/zinc/57/22/27/1078572227.db2.gz MBGPLVJHIMSPQC-UHFFFAOYSA-N 1 0 373.442 2.770 20 5 FFBDRO C[C@@H](NC(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC001579410727 1078627509 /nfs/dbraw/zinc/62/75/09/1078627509.db2.gz FPRWMLNOWSFCPK-PZPSRYQVSA-N 1 0 372.400 2.931 20 5 FFBDRO [NH3+][C@@H]1C[C@@H](NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])C12CCC2 ZINC001580163199 1078758691 /nfs/dbraw/zinc/75/86/91/1078758691.db2.gz KQPLTNZPDPRKMD-HUUCEWRRSA-N 1 0 352.394 2.657 20 5 FFBDRO [NH3+]C[C@@H](C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCCCCC1 ZINC001580215683 1078766981 /nfs/dbraw/zinc/76/69/81/1078766981.db2.gz OFDLBAJTZNOBSY-CQSZACIVSA-N 1 0 359.430 2.633 20 5 FFBDRO O=C(NCCC1CC[NH2+]CC1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001580676166 1078846898 /nfs/dbraw/zinc/84/68/98/1078846898.db2.gz JIWHUHRHHMIGCA-UHFFFAOYSA-N 1 0 354.410 2.776 20 5 FFBDRO O=C(NCCC[C@H]1CCC[NH2+]1)c1cc([N+](=O)[O-])ccc1Br ZINC001580680090 1078847083 /nfs/dbraw/zinc/84/70/83/1078847083.db2.gz HVQAXYWKDMTCGN-SNVBAGLBSA-N 1 0 356.220 2.619 20 5 FFBDRO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC001580751256 1078853361 /nfs/dbraw/zinc/85/33/61/1078853361.db2.gz LTWSHFDSSUMHLK-MDASCCDHSA-N 1 0 366.421 2.830 20 5 FFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@]2(C)C[N@H+](C)C[C@]2(C)C1 ZINC001557740130 1075882928 /nfs/dbraw/zinc/88/29/28/1075882928.db2.gz DIGIGJPETBVUMM-XWIAVFTESA-N 1 0 363.483 2.876 20 5 FFBDRO CN(CC(C)(C)C[NH+](C)C)C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC001558707002 1076060768 /nfs/dbraw/zinc/06/07/68/1076060768.db2.gz ZOIPFVIIYXJZGN-UHFFFAOYSA-N 1 0 350.463 2.833 20 5 FFBDRO C[C@@H]1CCCC[C@H]1[N@H+](C)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001559751938 1076187965 /nfs/dbraw/zinc/18/79/65/1076187965.db2.gz OVYXPFHFHOPEAB-VQIMIIECSA-N 1 0 374.485 2.754 20 5 FFBDRO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC001560053936 1076218557 /nfs/dbraw/zinc/21/85/57/1076218557.db2.gz NKHFRLCPHCXSGK-ZIAGYGMSSA-N 1 0 365.430 2.961 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+]CC1(C2(O)CCC2)CCC1 ZINC001560135032 1076232604 /nfs/dbraw/zinc/23/26/04/1076232604.db2.gz YRGWVVCNQNKRGM-UHFFFAOYSA-N 1 0 361.442 2.907 20 5 FFBDRO O=[N+]([O-])c1ccc(CN2CCC(O)(C[NH+]3CCCCC3)CC2)cc1F ZINC001560217131 1076248332 /nfs/dbraw/zinc/24/83/32/1076248332.db2.gz GFLNKWISQWDRKR-UHFFFAOYSA-N 1 0 351.422 2.547 20 5 FFBDRO CCc1noc([C@H]2CC[C@@H]([NH2+]Cc3cc(OC)c(O)cc3[N+](=O)[O-])C2)n1 ZINC001560608767 1076283400 /nfs/dbraw/zinc/28/34/00/1076283400.db2.gz DNQXMPIUTZNVIM-CMPLNLGQSA-N 1 0 362.386 2.680 20 5 FFBDRO C[C@@]1(Br)C[C@H]1C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001560695800 1076292401 /nfs/dbraw/zinc/29/24/01/1076292401.db2.gz VEKDDOZUVLGXGT-SWLSCSKDSA-N 1 0 354.248 2.890 20 5 FFBDRO COc1cc(C[NH2+]C[C@@H]2CCCCN2C)c([N+](=O)[O-])cc1OCC(F)F ZINC001561035643 1076323317 /nfs/dbraw/zinc/32/33/17/1076323317.db2.gz DVHRPQVRBPJOHG-ZDUSSCGKSA-N 1 0 373.400 2.821 20 5 FFBDRO COc1cc(CC[NH2+]Cc2ccc(O)c(OC)c2[N+](=O)[O-])cc(OC)c1 ZINC001561052958 1076325248 /nfs/dbraw/zinc/32/52/48/1076325248.db2.gz PXDPRYPYVWADKJ-UHFFFAOYSA-N 1 0 362.382 2.659 20 5 FFBDRO CC1([NH+]2CCCC2)CCC(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001561935537 1076449015 /nfs/dbraw/zinc/44/90/15/1076449015.db2.gz SCQMJEZMZBYGPS-UHFFFAOYSA-N 1 0 367.471 2.670 20 5 FFBDRO C[NH+](C)[C@H]1C[C@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC001585891948 1079510129 /nfs/dbraw/zinc/51/01/29/1079510129.db2.gz REQXRKATNKFNOB-IRXDYDNUSA-N 1 0 360.458 2.776 20 5 FFBDRO C[C@@H](Nc1cc(-c2nn[nH]n2)ccc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001589978296 1080917746 /nfs/dbraw/zinc/91/77/46/1080917746.db2.gz MCVLCTFSSBJPEB-TZMCWYRMSA-N 1 0 371.445 2.840 20 5 FFBDRO C[NH+](C)CCc1ccc(NC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])cc1 ZINC000068354962 249714284 /nfs/dbraw/zinc/71/42/84/249714284.db2.gz LLKIQCGKRQQQQQ-UHFFFAOYSA-N 1 0 371.393 2.529 20 5 FFBDRO Cc1c(NC(=O)CC[N@H+](CCO)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000103140590 250136311 /nfs/dbraw/zinc/13/63/11/250136311.db2.gz KVERNGQLGSVZED-UHFFFAOYSA-N 1 0 357.410 2.726 20 5 FFBDRO Cn1cc(C[NH2+]CC[S@@](=O)C(C)(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000116921665 250324065 /nfs/dbraw/zinc/32/40/65/250324065.db2.gz KNFTWGZQXQAIOG-VWLOTQADSA-N 1 0 364.471 2.632 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000153172413 251109786 /nfs/dbraw/zinc/10/97/86/251109786.db2.gz SGQHYGLFZTZCIC-AWEZNQCLSA-N 1 0 354.410 2.843 20 5 FFBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000153334909 251125751 /nfs/dbraw/zinc/12/57/51/251125751.db2.gz MUWAPVRAXUHACS-DOTOQJQBSA-N 1 0 373.453 2.839 20 5 FFBDRO C[C@H]1CN(C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000269230183 251398921 /nfs/dbraw/zinc/39/89/21/251398921.db2.gz VJWBXDBFGZOMPI-CMPLNLGQSA-N 1 0 374.363 2.611 20 5 FFBDRO O=C(C[N@@H+]1CC[C@@H]([C@H]2CCOC2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000366649104 512122356 /nfs/dbraw/zinc/12/23/56/512122356.db2.gz CGNREDMQFOLABG-NEPJUHHUSA-N 1 0 353.806 2.545 20 5 FFBDRO CCCC[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(OC)cc1 ZINC000271787144 251876844 /nfs/dbraw/zinc/87/68/44/251876844.db2.gz HGUWOQJNBOALRI-WMZOPIPTSA-N 1 0 362.430 2.682 20 5 FFBDRO CS[C@@H]1CN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H]1[NH+](C)C ZINC000271985073 251925946 /nfs/dbraw/zinc/92/59/46/251925946.db2.gz FEPBSBRPNVPUPV-JKSUJKDBSA-N 1 0 362.455 2.727 20 5 FFBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1 ZINC000272401421 252029521 /nfs/dbraw/zinc/02/95/21/252029521.db2.gz VHRQUNXBDCUDPU-ZDUSSCGKSA-N 1 0 355.385 2.877 20 5 FFBDRO COc1cc(C[NH2+]C[C@@H]2CCCCO2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272462639 252043587 /nfs/dbraw/zinc/04/35/87/252043587.db2.gz QUYAMHBAXXFTHX-LBPRGKRZSA-N 1 0 360.357 2.906 20 5 FFBDRO CC[N@@H+]1CCCC[C@@H]1CN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272584331 252074556 /nfs/dbraw/zinc/07/45/56/252074556.db2.gz YRAWSUXZBQFIFI-MSOLQXFVSA-N 1 0 357.458 2.882 20 5 FFBDRO COc1ccc(OCC[NH+]2CCC(c3cc(C)n[nH]3)CC2)c([N+](=O)[O-])c1 ZINC000272935276 252169228 /nfs/dbraw/zinc/16/92/28/252169228.db2.gz KNAQHXVUQADOMT-UHFFFAOYSA-N 1 0 360.414 2.893 20 5 FFBDRO COc1cccc([C@H](C)[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000273015938 252191921 /nfs/dbraw/zinc/19/19/21/252191921.db2.gz BKOFSKKMJSGIIZ-ZDUSSCGKSA-N 1 0 364.423 2.728 20 5 FFBDRO C[C@]1([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCO[C@@H]1C1CC1 ZINC000273090940 252213383 /nfs/dbraw/zinc/21/33/83/252213383.db2.gz SPBSTJDUYVGYTK-CVEARBPZSA-N 1 0 353.806 2.734 20 5 FFBDRO COc1ccc([C@@H](C)[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000273145672 252231220 /nfs/dbraw/zinc/23/12/20/252231220.db2.gz KXWAZTIPTJZPLK-CYBMUJFWSA-N 1 0 364.423 2.728 20 5 FFBDRO C[C@@H]1C[NH+](CCCCNC(=O)Nc2ccc([N+](=O)[O-])cc2F)C[C@@H](C)O1 ZINC000273340152 252285004 /nfs/dbraw/zinc/28/50/04/252285004.db2.gz ACJSFMDWHQVELX-CHWSQXEVSA-N 1 0 368.409 2.745 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)cc1C ZINC000273520803 252323987 /nfs/dbraw/zinc/32/39/87/252323987.db2.gz NZNBNWNSXBDWHF-CQSZACIVSA-N 1 0 369.487 2.562 20 5 FFBDRO CCOC(CC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)OCC ZINC000276202649 256080397 /nfs/dbraw/zinc/08/03/97/256080397.db2.gz JNWXISIVSDPQDJ-UHFFFAOYSA-N 1 0 362.430 2.874 20 5 FFBDRO COCc1nc2n(n1)C[C@@H]([NH2+][C@@H]1CC(C)(C)c3ccc([N+](=O)[O-])cc31)CC2 ZINC000279171543 256389452 /nfs/dbraw/zinc/38/94/52/256389452.db2.gz UUQWUQQZTGTZEZ-BLLLJJGKSA-N 1 0 371.441 2.660 20 5 FFBDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1c1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000278806724 256350395 /nfs/dbraw/zinc/35/03/95/256350395.db2.gz RRQBOCRVFLZJJA-CQSZACIVSA-N 1 0 356.426 2.833 20 5 FFBDRO COC(=O)[C@]1(C(F)(F)F)CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000286609042 257045364 /nfs/dbraw/zinc/04/53/64/257045364.db2.gz RMBGUHJVCARJLK-AWEZNQCLSA-N 1 0 373.287 2.663 20 5 FFBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000287039386 257068565 /nfs/dbraw/zinc/06/85/65/257068565.db2.gz SVKNHUXOTKDYPS-WFASDCNBSA-N 1 0 366.849 2.745 20 5 FFBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000287044076 257068925 /nfs/dbraw/zinc/06/89/25/257068925.db2.gz SYZKQAQIGPFBLG-CZUORRHYSA-N 1 0 357.414 2.703 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1C[C@H](N2CCOCC2)C[C@@H]1C ZINC000287066047 257069978 /nfs/dbraw/zinc/06/99/78/257069978.db2.gz HPQZDHHMFFULCA-LSDHHAIUSA-N 1 0 362.430 2.539 20 5 FFBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000287074588 257070558 /nfs/dbraw/zinc/07/05/58/257070558.db2.gz KGGATAMFLOQUPL-PXAZEXFGSA-N 1 0 370.409 2.547 20 5 FFBDRO COc1ccc(CNCc2ccncc2OC[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000288499176 257196981 /nfs/dbraw/zinc/19/69/81/257196981.db2.gz RTTCMHFDWLZOGP-HNNXBMFYSA-N 1 0 373.409 2.704 20 5 FFBDRO CC(C)OCC[NH+]1CCC(Nc2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000288556748 257204390 /nfs/dbraw/zinc/20/43/90/257204390.db2.gz VYJLPWLPZVTWSM-UHFFFAOYSA-N 1 0 365.459 2.901 20 5 FFBDRO CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000289478015 257283163 /nfs/dbraw/zinc/28/31/63/257283163.db2.gz BNLFGXWTLBGZNX-ROUUACIJSA-N 1 0 361.442 2.599 20 5 FFBDRO CC[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCOC(C)(C)C1 ZINC000289944436 257307787 /nfs/dbraw/zinc/30/77/87/257307787.db2.gz VQNGXYQNMCMPRL-CABCVRRESA-N 1 0 352.431 2.614 20 5 FFBDRO COC(=O)CCCCC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000289949314 257308224 /nfs/dbraw/zinc/30/82/24/257308224.db2.gz XUXVSAOLUQGTRF-UHFFFAOYSA-N 1 0 360.414 2.818 20 5 FFBDRO Cc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000291002281 257372196 /nfs/dbraw/zinc/37/21/96/257372196.db2.gz AXTSXOWPYCYTLZ-CYBMUJFWSA-N 1 0 359.348 2.794 20 5 FFBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000293517178 257549920 /nfs/dbraw/zinc/54/99/20/257549920.db2.gz UBMFSWSWXVYBHT-YJBOKZPZSA-N 1 0 372.469 2.655 20 5 FFBDRO COC(=O)C1CC[NH+](CCCNc2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000298746548 257937556 /nfs/dbraw/zinc/93/75/56/257937556.db2.gz ZEUAJLWUWXUBKH-UHFFFAOYSA-N 1 0 372.425 2.830 20 5 FFBDRO CC1CC[NH+]([C@H](CNc2ncc([N+](=O)[O-])c(N)n2)c2ccccc2)CC1 ZINC000301088568 258023760 /nfs/dbraw/zinc/02/37/60/258023760.db2.gz MRCZZSNFNGPLGG-OAHLLOKOSA-N 1 0 356.430 2.852 20 5 FFBDRO COc1cccc([C@H](CNc2c([N+](=O)[O-])c(C)nn2C)[NH+]2CCCC2)c1 ZINC000301243684 258036081 /nfs/dbraw/zinc/03/60/81/258036081.db2.gz AMWIPTNFSFVPAF-INIZCTEOSA-N 1 0 359.430 2.894 20 5 FFBDRO Cc1ccnc(N[C@@H](C)C[NH+]2CCN(c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000301406093 258047776 /nfs/dbraw/zinc/04/77/76/258047776.db2.gz USCKUAFXDAHBSX-INIZCTEOSA-N 1 0 355.442 2.921 20 5 FFBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000301884067 258072800 /nfs/dbraw/zinc/07/28/00/258072800.db2.gz LJRFXFMTTPJLRQ-MCIONIFRSA-N 1 0 369.487 2.777 20 5 FFBDRO CC[C@H]1CN(c2cc(C)nc3c2cccc3[N+](=O)[O-])CC[N@@H+]1C[C@@H](C)O ZINC000302022636 258082743 /nfs/dbraw/zinc/08/27/43/258082743.db2.gz ORBSVYMQNHZYLG-CABCVRRESA-N 1 0 358.442 2.733 20 5 FFBDRO CC[NH+](CC)CC1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000331270059 258180962 /nfs/dbraw/zinc/18/09/62/258180962.db2.gz UGUXSLRFXONZPZ-UHFFFAOYSA-N 1 0 369.487 2.646 20 5 FFBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])C1 ZINC000332117498 258214638 /nfs/dbraw/zinc/21/46/38/258214638.db2.gz HVEGDVCXORUCLB-ZACQAIPSSA-N 1 0 374.485 2.895 20 5 FFBDRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000332264131 258222289 /nfs/dbraw/zinc/22/22/89/258222289.db2.gz ODOMQPFAVLOSNW-UONOGXRCSA-N 1 0 357.332 2.970 20 5 FFBDRO O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000373055293 512150713 /nfs/dbraw/zinc/15/07/13/512150713.db2.gz XPLMBVYCEJEQHD-FZMZJTMJSA-N 1 0 358.423 2.542 20 5 FFBDRO C[NH+](C)[C@@H](CNC(=O)NCCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000065511140 506312935 /nfs/dbraw/zinc/31/29/35/506312935.db2.gz VDMDGWRFSVWATR-SFHVURJKSA-N 1 0 356.426 2.739 20 5 FFBDRO C[C@H](CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)[N@@H+]1CCCC[C@@H]1C ZINC000065733064 506353487 /nfs/dbraw/zinc/35/34/87/506353487.db2.gz LCVDQMPWFRYJEE-LSDHHAIUSA-N 1 0 358.442 2.929 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)c1 ZINC000366802079 512193117 /nfs/dbraw/zinc/19/31/17/512193117.db2.gz GNLHWHALBRBYRA-INIZCTEOSA-N 1 0 361.442 2.759 20 5 FFBDRO Cn1nccc1[C@@H]1CCC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000377434649 512267388 /nfs/dbraw/zinc/26/73/88/512267388.db2.gz YETDDZSTTMEAGS-CQSZACIVSA-N 1 0 368.397 2.758 20 5 FFBDRO CC[N@H+](C)Cc1cccc(CNC(=O)CNc2ccccc2[N+](=O)[O-])c1 ZINC000065881109 506385242 /nfs/dbraw/zinc/38/52/42/506385242.db2.gz WCXKPOUHKQPLJD-UHFFFAOYSA-N 1 0 356.426 2.775 20 5 FFBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000371226892 512277226 /nfs/dbraw/zinc/27/72/26/512277226.db2.gz CYONMJNTCGVXEY-CRAIPNDOSA-N 1 0 360.458 2.778 20 5 FFBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000371244018 512287009 /nfs/dbraw/zinc/28/70/09/512287009.db2.gz LZJNHWAZOVKLFQ-SFHVURJKSA-N 1 0 360.458 2.778 20 5 FFBDRO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000371241513 512285461 /nfs/dbraw/zinc/28/54/61/512285461.db2.gz COUZDUGBXBAIMW-ZBFHGGJFSA-N 1 0 358.442 2.773 20 5 FFBDRO CC[NH+](CC)[C@H](CNC(=O)COc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000043276112 506726116 /nfs/dbraw/zinc/72/61/16/506726116.db2.gz HNHCHWXGGUIQML-OAHLLOKOSA-N 1 0 361.398 2.766 20 5 FFBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000055407754 506745115 /nfs/dbraw/zinc/74/51/15/506745115.db2.gz QWLLNOZHKWMIGO-LSDHHAIUSA-N 1 0 371.441 2.631 20 5 FFBDRO CCN(C(=O)c1n[nH]cc1[N+](=O)[O-])[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000367019999 512300060 /nfs/dbraw/zinc/30/00/60/512300060.db2.gz KURRFUNJGPHZHA-HIFRSBDPSA-N 1 0 357.414 2.616 20 5 FFBDRO Cc1ccc([C@@H](CNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000067383185 506854890 /nfs/dbraw/zinc/85/48/90/506854890.db2.gz PQXGCMDSEZMQHR-GOSISDBHSA-N 1 0 367.409 2.855 20 5 FFBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000056459756 507018208 /nfs/dbraw/zinc/01/82/08/507018208.db2.gz DFBHOBZMYVYMDH-MRXNPFEDSA-N 1 0 358.398 2.824 20 5 FFBDRO CCc1ccc([C@@H](CNc2ccc(C(N)=O)cc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000015129048 507022017 /nfs/dbraw/zinc/02/20/17/507022017.db2.gz OUPHSDDEKKDLNG-GOSISDBHSA-N 1 0 356.426 2.971 20 5 FFBDRO O=C(NC1CC1)[C@@H]([NH2+]CCNc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000015501242 507043565 /nfs/dbraw/zinc/04/35/65/507043565.db2.gz ZWGKARJSGFRZKQ-SFHVURJKSA-N 1 0 354.410 2.616 20 5 FFBDRO O=C(NC1CC1)[C@H]([NH2+]CCNc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000015505903 507044343 /nfs/dbraw/zinc/04/43/43/507044343.db2.gz ZWZGCBSYEQTICA-GOSISDBHSA-N 1 0 354.410 2.616 20 5 FFBDRO C[C@H](CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)[NH+]1CCC(C)CC1 ZINC000068256503 507163441 /nfs/dbraw/zinc/16/34/41/507163441.db2.gz VYJNQWUUSZZWPB-OAHLLOKOSA-N 1 0 358.442 2.786 20 5 FFBDRO Cn1cnc([N+](=O)[O-])c1Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000057150892 507186621 /nfs/dbraw/zinc/18/66/21/507186621.db2.gz BCLASLVPFAGHPV-UHFFFAOYSA-N 1 0 356.430 2.604 20 5 FFBDRO C[NH+](C)[C@@H](CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])c1ccsc1 ZINC000026720550 507603936 /nfs/dbraw/zinc/60/39/36/507603936.db2.gz JTZMUFYLRUJYML-HNNXBMFYSA-N 1 0 359.411 2.608 20 5 FFBDRO COc1ccc(C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000027583114 507669135 /nfs/dbraw/zinc/66/91/35/507669135.db2.gz WYPRNKCGNJBVFJ-MRXNPFEDSA-N 1 0 357.410 2.506 20 5 FFBDRO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000051051071 507728376 /nfs/dbraw/zinc/72/83/76/507728376.db2.gz YRLXKXFDNLTPGN-CVEARBPZSA-N 1 0 363.458 2.990 20 5 FFBDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNc2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000071954876 507728648 /nfs/dbraw/zinc/72/86/48/507728648.db2.gz OAFIFUJXPITLBL-CYBMUJFWSA-N 1 0 356.430 2.811 20 5 FFBDRO Cc1cccc(N2CC[NH+](CCCCNc3c([N+](=O)[O-])ncn3C)CC2)c1 ZINC000029587470 507782940 /nfs/dbraw/zinc/78/29/40/507782940.db2.gz UKPDHZQNFBCSET-UHFFFAOYSA-N 1 0 372.473 2.651 20 5 FFBDRO CC(C)(C)CC[NH+]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000064308887 507789781 /nfs/dbraw/zinc/78/97/81/507789781.db2.gz JRMAUACVLSTHJK-UHFFFAOYSA-N 1 0 352.410 2.510 20 5 FFBDRO CNc1ccc(C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000029931116 507796758 /nfs/dbraw/zinc/79/67/58/507796758.db2.gz VZPLYRKCHIKCFH-KRWDZBQOSA-N 1 0 360.389 2.808 20 5 FFBDRO Cc1c(NC(=O)N(CC[NH+](C)C)Cc2ccccn2)cccc1[N+](=O)[O-] ZINC000107373539 507847536 /nfs/dbraw/zinc/84/75/36/507847536.db2.gz QVKYMWWVRPFNDR-UHFFFAOYSA-N 1 0 357.414 2.894 20 5 FFBDRO CCCNC(=O)C[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000072726388 507848545 /nfs/dbraw/zinc/84/85/45/507848545.db2.gz IDWMYRXEIZXPIE-UHFFFAOYSA-N 1 0 356.426 2.979 20 5 FFBDRO C[C@@H](CNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000089619850 507851134 /nfs/dbraw/zinc/85/11/34/507851134.db2.gz VURWYEBTLSNWEX-ZDUSSCGKSA-N 1 0 355.460 2.532 20 5 FFBDRO O=[N+]([O-])c1cnc(NC[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)c(Cl)c1 ZINC000089644371 507853606 /nfs/dbraw/zinc/85/36/06/507853606.db2.gz MOLBNUYVIDEWEC-HIFRSBDPSA-N 1 0 362.817 2.691 20 5 FFBDRO CC[NH+](CC)[C@H]1CCN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C1 ZINC000078576685 507885408 /nfs/dbraw/zinc/88/54/08/507885408.db2.gz CPXRDNYHUDBTKP-INIZCTEOSA-N 1 0 360.458 2.751 20 5 FFBDRO CC(C)=CCC[C@@H](C)[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000090015412 507902314 /nfs/dbraw/zinc/90/23/14/507902314.db2.gz ZEBLLNKVDQIKGA-CQSZACIVSA-N 1 0 355.460 2.598 20 5 FFBDRO Cc1c([C@@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)cnn1-c1ccc(F)cc1 ZINC000090538397 507925823 /nfs/dbraw/zinc/92/58/23/507925823.db2.gz YTWSGJGZXVMXMZ-GFCCVEGCSA-N 1 0 358.377 2.775 20 5 FFBDRO C[C@H]([NH2+]C1(CNC(=O)Cn2ccc([N+](=O)[O-])n2)CCCC1)c1ccccc1 ZINC000109696347 507981551 /nfs/dbraw/zinc/98/15/51/507981551.db2.gz GRYOJYMOSOPGDD-HNNXBMFYSA-N 1 0 371.441 2.571 20 5 FFBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000091458749 507987759 /nfs/dbraw/zinc/98/77/59/507987759.db2.gz OQVKRXRFVXMQGB-JHJVBQTASA-N 1 0 362.430 2.704 20 5 FFBDRO O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000079942596 508017456 /nfs/dbraw/zinc/01/74/56/508017456.db2.gz PJLKQGHNIGKECC-GFCCVEGCSA-N 1 0 357.332 2.924 20 5 FFBDRO CCN1CC[NH+](C[C@H](C)CNc2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000092612725 508086703 /nfs/dbraw/zinc/08/67/03/508086703.db2.gz HUPKSBOMOGDOMQ-CYBMUJFWSA-N 1 0 372.416 2.882 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](CCO)C1CCCCC1 ZINC000111303759 508088498 /nfs/dbraw/zinc/08/84/98/508088498.db2.gz SOPIFUYVARKUJT-UHFFFAOYSA-N 1 0 365.430 2.559 20 5 FFBDRO Cc1ccc(CN2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)cc1[N+](=O)[O-] ZINC000092665002 508091899 /nfs/dbraw/zinc/09/18/99/508091899.db2.gz UHXZMDPRMYOJGV-ROUUACIJSA-N 1 0 360.502 2.894 20 5 FFBDRO CCCC[N@@H+](Cc1ccccc1F)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075674752 508126837 /nfs/dbraw/zinc/12/68/37/508126837.db2.gz XJVXNWDWHVTEAQ-MRXNPFEDSA-N 1 0 350.394 2.594 20 5 FFBDRO CNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C1 ZINC000093360914 508142353 /nfs/dbraw/zinc/14/23/53/508142353.db2.gz KIVSVJYDWSRQQQ-CYBMUJFWSA-N 1 0 373.409 2.821 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NCCC[NH+]1CCC(C)CC1 ZINC000075942995 508145349 /nfs/dbraw/zinc/14/53/49/508145349.db2.gz DYASBRNWHYCJLE-UHFFFAOYSA-N 1 0 350.419 2.847 20 5 FFBDRO Cc1ccc(C[N@H+](C)CCN2C(=O)c3ccccc3C2=O)cc1[N+](=O)[O-] ZINC000093837796 508156972 /nfs/dbraw/zinc/15/69/72/508156972.db2.gz LRFWRSZKJOEMJC-UHFFFAOYSA-N 1 0 353.378 2.631 20 5 FFBDRO CC[C@@H]([NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000112536977 508193686 /nfs/dbraw/zinc/19/36/86/508193686.db2.gz HSNVPEJWSFPTGS-QGZVFWFLSA-N 1 0 363.439 2.614 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[N@@H+](C)CC12CCCCC2 ZINC000081598577 508194987 /nfs/dbraw/zinc/19/49/87/508194987.db2.gz FAYCPMRPPDCTFY-UHFFFAOYSA-N 1 0 360.458 2.792 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000081635794 508200068 /nfs/dbraw/zinc/20/00/68/508200068.db2.gz LBYGMCYYAKFNHB-MRXNPFEDSA-N 1 0 360.458 2.505 20 5 FFBDRO CC[NH+](CC)CCCCNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000112919628 508233288 /nfs/dbraw/zinc/23/32/88/508233288.db2.gz KDOLUJDCJITYEX-UHFFFAOYSA-N 1 0 359.430 2.632 20 5 FFBDRO CC(C)COC[C@@H](O)C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000113327030 508260729 /nfs/dbraw/zinc/26/07/29/508260729.db2.gz HXYBGAHTPGPDDF-INIZCTEOSA-N 1 0 365.455 2.841 20 5 FFBDRO O=C(COc1cccc([N+](=O)[O-])c1)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000114645148 508333456 /nfs/dbraw/zinc/33/34/56/508333456.db2.gz IRVUOZIOKBUIOW-SFHVURJKSA-N 1 0 369.421 2.754 20 5 FFBDRO O=C(Cc1ccccc1[N+](=O)[O-])NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000114643276 508333532 /nfs/dbraw/zinc/33/35/32/508333532.db2.gz BHPXKJJIEZMVNR-SFHVURJKSA-N 1 0 353.422 2.918 20 5 FFBDRO COc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000114645317 508333730 /nfs/dbraw/zinc/33/37/30/508333730.db2.gz VHZUZFXXGXXVBO-KRWDZBQOSA-N 1 0 369.421 2.998 20 5 FFBDRO CC(C)CN(CC[NH+](C)C)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000104528540 508337388 /nfs/dbraw/zinc/33/73/88/508337388.db2.gz CZMSFMYEPLYJQO-UHFFFAOYSA-N 1 0 362.474 2.855 20 5 FFBDRO CCC(=O)N[C@@H]1CCC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000104680561 508340970 /nfs/dbraw/zinc/34/09/70/508340970.db2.gz SPSVRTGYOYKSLR-OAHLLOKOSA-N 1 0 372.425 2.783 20 5 FFBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(C)c2)[C@H](C)C1 ZINC000115274197 508380581 /nfs/dbraw/zinc/38/05/81/508380581.db2.gz RZXXLUITEWCKIC-WBVHZDCISA-N 1 0 363.458 2.770 20 5 FFBDRO O=C(C[C@@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O)c1ccc(F)cc1 ZINC000133782817 508448961 /nfs/dbraw/zinc/44/89/61/508448961.db2.gz HWNBVACYQXXQMS-INIZCTEOSA-N 1 0 373.384 2.633 20 5 FFBDRO Cc1ccc([C@@H](C)NC(=O)N[C@H]2CCN(c3ccccn3)C2)cc1[N+](=O)[O-] ZINC000122081835 508478766 /nfs/dbraw/zinc/47/87/66/508478766.db2.gz OFVKLXSAFOQDPU-ZBFHGGJFSA-N 1 0 369.425 2.937 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)[C@H]1CCC[N@H+](C)C1 ZINC000153410718 508580731 /nfs/dbraw/zinc/58/07/31/508580731.db2.gz PGAASCZHSOQAEH-AAEUAGOBSA-N 1 0 355.822 2.568 20 5 FFBDRO Cc1ccc(C(=O)NCc2ccccc2OCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000122867361 508598485 /nfs/dbraw/zinc/59/84/85/508598485.db2.gz QCVXUDPLJMWZMQ-UHFFFAOYSA-N 1 0 357.410 2.774 20 5 FFBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000153625637 508611404 /nfs/dbraw/zinc/61/14/04/508611404.db2.gz CUGOWEFIORTBBT-AWEZNQCLSA-N 1 0 352.435 2.690 20 5 FFBDRO Cc1cc(C(=O)NCc2ccccc2OCC[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000122964676 508615138 /nfs/dbraw/zinc/61/51/38/508615138.db2.gz CUDCRHJVZDRFBM-UHFFFAOYSA-N 1 0 357.410 2.774 20 5 FFBDRO CCOC[C@@H]1CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000128645306 508623334 /nfs/dbraw/zinc/62/33/34/508623334.db2.gz WOBIERHCDFMCNP-CYBMUJFWSA-N 1 0 353.394 2.811 20 5 FFBDRO C[NH+](C)[C@H]1Cc2ccccc2N(C(=O)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000153712912 508632829 /nfs/dbraw/zinc/63/28/29/508632829.db2.gz BOUOMQQWGWHEKM-INIZCTEOSA-N 1 0 357.385 2.796 20 5 FFBDRO COc1cc(C[NH2+][C@@H](C)[C@H](C)CO)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000123217096 508653609 /nfs/dbraw/zinc/65/36/09/508653609.db2.gz MMDZLICPBRLMTO-ZJUUUORDSA-N 1 0 366.336 2.651 20 5 FFBDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)c2[nH]ncc2[N+](=O)[O-])C1 ZINC000136314490 508686071 /nfs/dbraw/zinc/68/60/71/508686071.db2.gz SIKVQYHYUYJXCJ-KBPBESRZSA-N 1 0 371.441 2.726 20 5 FFBDRO C[C@@H]1C[N@@H+](CCCCNC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000129644282 508749933 /nfs/dbraw/zinc/74/99/33/508749933.db2.gz KFVXFDXRVZACLI-OKILXGFUSA-N 1 0 350.419 2.606 20 5 FFBDRO COc1cc(C[NH2+]CCc2nc3cc(F)ccc3n2C)c([N+](=O)[O-])cc1O ZINC000123892965 508754172 /nfs/dbraw/zinc/75/41/72/508754172.db2.gz KPTFLGXBAXDSKP-UHFFFAOYSA-N 1 0 374.372 2.667 20 5 FFBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000159131990 508796832 /nfs/dbraw/zinc/79/68/32/508796832.db2.gz SEENJAHVIIGCKP-UONOGXRCSA-N 1 0 358.442 2.855 20 5 FFBDRO Cc1c(NC(=O)[C@H](C)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cccc1[N+](=O)[O-] ZINC000139914363 508797169 /nfs/dbraw/zinc/79/71/69/508797169.db2.gz FFFILKRZSWGHFJ-HDMKZQKVSA-N 1 0 360.458 2.646 20 5 FFBDRO CCOC(=O)CC1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000130386729 508816221 /nfs/dbraw/zinc/81/62/21/508816221.db2.gz CNEUWTQFRMHTMN-UHFFFAOYSA-N 1 0 363.414 2.589 20 5 FFBDRO Cc1c(CC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000159503265 508850645 /nfs/dbraw/zinc/85/06/45/508850645.db2.gz DKRPWMBIIMAQCX-KRWDZBQOSA-N 1 0 357.410 2.992 20 5 FFBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000119882420 508882277 /nfs/dbraw/zinc/88/22/77/508882277.db2.gz MXXFWPVYFQNUAM-CQSZACIVSA-N 1 0 352.435 2.690 20 5 FFBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000159753075 508884829 /nfs/dbraw/zinc/88/48/29/508884829.db2.gz BHBMEAKMHQNWBE-NSHDSACASA-N 1 0 370.247 2.962 20 5 FFBDRO Cc1ccc(OC2CC[NH+](CCn3cc([N+](=O)[O-])ccc3=O)CC2)cc1C ZINC000159778219 508889547 /nfs/dbraw/zinc/88/95/47/508889547.db2.gz MITWLWCDOVRSPF-UHFFFAOYSA-N 1 0 371.437 2.917 20 5 FFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@](C)(O)c1ccsc1 ZINC000159974143 508919247 /nfs/dbraw/zinc/91/92/47/508919247.db2.gz NLVJFBAYZYXBDS-SJKOYZFVSA-N 1 0 363.439 2.871 20 5 FFBDRO C[NH2+][C@H]1CCCN(C(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)C1 ZINC000150997155 508937585 /nfs/dbraw/zinc/93/75/85/508937585.db2.gz CGKWNTSPNXQFDD-INIZCTEOSA-N 1 0 360.458 2.655 20 5 FFBDRO C[C@@H]1C[C@@H]([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CN1C1CC1 ZINC000151102524 508956723 /nfs/dbraw/zinc/95/67/23/508956723.db2.gz XPMHSOLAZYVRFZ-CZUORRHYSA-N 1 0 355.442 2.710 20 5 FFBDRO CC[NH+](CC)CCN(Cc1ccccc1)c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000160445046 508988551 /nfs/dbraw/zinc/98/85/51/508988551.db2.gz VMYIGOAFLVDXBW-UHFFFAOYSA-N 1 0 368.441 2.986 20 5 FFBDRO COc1cccc([C@H](CNC(=O)c2ccc(F)cc2[N+](=O)[O-])[NH+](C)C)c1 ZINC000132346362 509018217 /nfs/dbraw/zinc/01/82/17/509018217.db2.gz NITYUIWFHQFXRB-KRWDZBQOSA-N 1 0 361.373 2.775 20 5 FFBDRO [NH3+][C@H]1CCC[C@H](NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000160895647 509044785 /nfs/dbraw/zinc/04/47/85/509044785.db2.gz SOCYMTIFSJHWRT-RYUDHWBXSA-N 1 0 374.363 2.802 20 5 FFBDRO CC(C)[NH+](CCNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)C(C)C ZINC000160928870 509049629 /nfs/dbraw/zinc/04/96/29/509049629.db2.gz ZMKDPCYZVUJEOY-UHFFFAOYSA-N 1 0 359.430 2.629 20 5 FFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)CC1CCOCC1 ZINC000155729854 509060017 /nfs/dbraw/zinc/06/00/17/509060017.db2.gz OQVWQTWUOAVYNA-LLVKDONJSA-N 1 0 355.822 2.934 20 5 FFBDRO CC[C@@H]1CN(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)CC[N@@H+]1C[C@@H](C)O ZINC000120835717 509073897 /nfs/dbraw/zinc/07/38/97/509073897.db2.gz GTESIBBZRWAMNC-UKRRQHHQSA-N 1 0 364.446 2.521 20 5 FFBDRO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000126554072 509094720 /nfs/dbraw/zinc/09/47/20/509094720.db2.gz VGGAHBQSHMIICP-SJKOYZFVSA-N 1 0 369.425 2.560 20 5 FFBDRO Cc1nc(C(C)C)sc1[C@H](C)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000120992323 509104917 /nfs/dbraw/zinc/10/49/17/509104917.db2.gz ZWGOUKXEPLBBLX-JSGCOSHPSA-N 1 0 367.475 2.734 20 5 FFBDRO CCOC(=O)c1ccnc(NC[C@@H](C)C[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000133410456 509156900 /nfs/dbraw/zinc/15/69/00/509156900.db2.gz VIZDXALLHHFDNL-CYBMUJFWSA-N 1 0 350.419 2.700 20 5 FFBDRO C[C@@H]1C[NH+](CC2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)C[C@@H](C)O1 ZINC000263846288 509183892 /nfs/dbraw/zinc/18/38/92/509183892.db2.gz XGBCLXDOXJSWSZ-CHWSQXEVSA-N 1 0 367.471 2.618 20 5 FFBDRO C[C@@H]1C[N@@H+](CC2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000263848893 509184697 /nfs/dbraw/zinc/18/46/97/509184697.db2.gz YDGCJQRNUDRFET-GASCZTMLSA-N 1 0 361.442 2.556 20 5 FFBDRO CN(C)c1cccc(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)n1 ZINC000179032491 509232416 /nfs/dbraw/zinc/23/24/16/509232416.db2.gz KTIHYTAIDGFHMG-UHFFFAOYSA-N 1 0 366.425 2.746 20 5 FFBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)CC[C@@H]21 ZINC000182476658 509258307 /nfs/dbraw/zinc/25/83/07/509258307.db2.gz WDZDIJRSIPTQOP-RISCZKNCSA-N 1 0 369.368 2.753 20 5 FFBDRO CCO[C@@H]1C[C@@H]([N@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000248279767 509267387 /nfs/dbraw/zinc/26/73/87/509267387.db2.gz URQFUOCXNHXYGA-KBAYOESNSA-N 1 0 364.442 2.614 20 5 FFBDRO Cc1cc(S(=O)(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000217214720 509268849 /nfs/dbraw/zinc/26/88/49/509268849.db2.gz BPKRHJBPGNVKRD-CYBMUJFWSA-N 1 0 369.487 2.692 20 5 FFBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N(C)[C@@H]3CC[NH2+]C3)cc2[N+](=O)[O-])C1 ZINC000179117457 509270491 /nfs/dbraw/zinc/27/04/91/509270491.db2.gz ZVUWWVRFRUVHMN-IJEWVQPXSA-N 1 0 360.458 2.511 20 5 FFBDRO CC[NH+](CC)C[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2Br)C1 ZINC000267245588 509409489 /nfs/dbraw/zinc/40/94/89/509409489.db2.gz NIOPOQFXTINXPB-NSHDSACASA-N 1 0 357.252 2.920 20 5 FFBDRO Cc1cc(C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c(N)c([N+](=O)[O-])c1 ZINC000182824548 509443584 /nfs/dbraw/zinc/44/35/84/509443584.db2.gz MUCGNTFPBISQLZ-ZIAGYGMSSA-N 1 0 360.458 2.868 20 5 FFBDRO CCc1n[nH]c(C(=O)N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000173208573 509456396 /nfs/dbraw/zinc/45/63/96/509456396.db2.gz OTOWWDXUAJTQMA-CQSZACIVSA-N 1 0 371.441 2.617 20 5 FFBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CCC(C[NH3+])CC2)CC1 ZINC000236665097 509475109 /nfs/dbraw/zinc/47/51/09/509475109.db2.gz IHQNQKCKZRRSRQ-UHFFFAOYSA-N 1 0 360.458 2.642 20 5 FFBDRO CCC1(CC)[C@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1OC ZINC000248825702 509498555 /nfs/dbraw/zinc/49/85/55/509498555.db2.gz KEWAEKITWLLLOK-KBRIMQKVSA-N 1 0 352.431 2.518 20 5 FFBDRO CC(C)[NH+]1CCC(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000267511194 509523551 /nfs/dbraw/zinc/52/35/51/509523551.db2.gz ZYRXKQQWGSQFBZ-UHFFFAOYSA-N 1 0 370.247 2.960 20 5 FFBDRO COC(=O)[C@@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000248880550 509525003 /nfs/dbraw/zinc/52/50/03/509525003.db2.gz FDXQCXFTKCLNTQ-CXAGYDPISA-N 1 0 372.425 2.626 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000248880609 509525434 /nfs/dbraw/zinc/52/54/34/509525434.db2.gz RPWNZFGHIWXNIO-KBXCAEBGSA-N 1 0 369.421 2.854 20 5 FFBDRO COC(=O)C[C@H]1CCCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000165697373 509580730 /nfs/dbraw/zinc/58/07/30/509580730.db2.gz BNWQWHDMJDSECA-CQSZACIVSA-N 1 0 363.414 2.649 20 5 FFBDRO COc1ccc(CSCC(=O)N[C@](C)(C[NH3+])CC(C)C)cc1[N+](=O)[O-] ZINC000237248652 509602335 /nfs/dbraw/zinc/60/23/35/509602335.db2.gz NPOSLYLVJQDXIO-KRWDZBQOSA-N 1 0 369.487 2.716 20 5 FFBDRO COc1ccc(NC(=O)C[NH2+][C@@H](CCCO)c2ccccc2)c([N+](=O)[O-])c1 ZINC000179761350 509610700 /nfs/dbraw/zinc/61/07/00/509610700.db2.gz WGDXKXZFWJDASS-INIZCTEOSA-N 1 0 373.409 2.645 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000176623622 509615060 /nfs/dbraw/zinc/61/50/60/509615060.db2.gz OPVJKFRRZBPYPU-UHFFFAOYSA-N 1 0 354.410 2.693 20 5 FFBDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000237458454 509651892 /nfs/dbraw/zinc/65/18/92/509651892.db2.gz KGEHGJGEYKRDNX-AAEUAGOBSA-N 1 0 360.439 2.918 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](C)c1nnc2ccccn21 ZINC000192813097 509655209 /nfs/dbraw/zinc/65/52/09/509655209.db2.gz MGTYZBCPGSEOIA-CYBMUJFWSA-N 1 0 368.397 2.625 20 5 FFBDRO C[C@@H]1CCCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1C[NH3+] ZINC000237492265 509663119 /nfs/dbraw/zinc/66/31/19/509663119.db2.gz JKLNSCLVTNNYLR-BXUZGUMPSA-N 1 0 355.822 2.603 20 5 FFBDRO C[C@@H]1CC[C@](CO)([N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000189657737 509686546 /nfs/dbraw/zinc/68/65/46/509686546.db2.gz ABYNXKHOKKJAJM-PXAZEXFGSA-N 1 0 353.394 2.545 20 5 FFBDRO CC(C)(C)OC(=O)NC[C@@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000170647279 509696104 /nfs/dbraw/zinc/69/61/04/509696104.db2.gz YEKQDMSPDQAGDY-AWEZNQCLSA-N 1 0 365.430 2.820 20 5 FFBDRO O=[N+]([O-])c1cnc2ccc(NC3CC[NH+](CCc4ccccc4)CC3)nn21 ZINC000180001481 509707115 /nfs/dbraw/zinc/70/71/15/509707115.db2.gz KVRHGIIEKMXJLA-UHFFFAOYSA-N 1 0 366.425 2.757 20 5 FFBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N[C@H]3CCC[NH2+]C3)cc2[N+](=O)[O-])C1 ZINC000237692363 509712227 /nfs/dbraw/zinc/71/22/27/509712227.db2.gz DXYJCTMYEUZGQO-LZWOXQAQSA-N 1 0 360.458 2.559 20 5 FFBDRO [NH3+]C[C@@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000237793222 509735299 /nfs/dbraw/zinc/73/52/99/509735299.db2.gz NDXZSFGXNLMSLR-MRXNPFEDSA-N 1 0 360.458 2.832 20 5 FFBDRO CS(=O)(=O)C1CCC([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000193006724 509735501 /nfs/dbraw/zinc/73/55/01/509735501.db2.gz GRCRHCJRAASAOJ-PGEKIEPBSA-N 1 0 352.456 2.918 20 5 FFBDRO C[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000180095500 509749202 /nfs/dbraw/zinc/74/92/02/509749202.db2.gz TUSHOFXSYZWVLP-IRXDYDNUSA-N 1 0 370.365 2.678 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)c1 ZINC000180098611 509750562 /nfs/dbraw/zinc/75/05/62/509750562.db2.gz QALPSCAZVBXVPE-AEFFLSMTSA-N 1 0 355.394 2.779 20 5 FFBDRO C[N@@H+]1CC[C@@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000180147601 509779247 /nfs/dbraw/zinc/77/92/47/509779247.db2.gz DATCJQJKDKYAPW-UZLBHIALSA-N 1 0 369.421 2.925 20 5 FFBDRO CC(C)CCOC1CC[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000193108903 509784166 /nfs/dbraw/zinc/78/41/66/509784166.db2.gz FHQCFJNCFLRGEI-QGZVFWFLSA-N 1 0 366.458 2.862 20 5 FFBDRO O=C(c1csc([N+](=O)[O-])c1)N(Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000186614297 509803302 /nfs/dbraw/zinc/80/33/02/509803302.db2.gz BRBCISGKTVFQJN-HNNXBMFYSA-N 1 0 360.439 2.836 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ccc(CNC[C@H](O)C[NH+]3CCCC3)s2)cc1 ZINC000238064765 509813056 /nfs/dbraw/zinc/81/30/56/509813056.db2.gz BZMRZXZQLNMLKH-INIZCTEOSA-N 1 0 361.467 2.870 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2nnc(CN3CC[C@@H](C[NH+]4CCCCC4)C3)o2)cc1 ZINC000173877468 509830982 /nfs/dbraw/zinc/83/09/82/509830982.db2.gz RLLIUGQYFCBLFQ-HNNXBMFYSA-N 1 0 371.441 2.953 20 5 FFBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000252735596 509859380 /nfs/dbraw/zinc/85/93/80/509859380.db2.gz NGTIWDHIHAYULL-KBPBESRZSA-N 1 0 356.426 2.993 20 5 FFBDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000190043630 509904527 /nfs/dbraw/zinc/90/45/27/509904527.db2.gz IQWVIMZWOJRYLA-LLVKDONJSA-N 1 0 370.837 2.557 20 5 FFBDRO C[C@@H]1C[C@@H](NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C[N@@H+]1C1CC1 ZINC000177154095 509905134 /nfs/dbraw/zinc/90/51/34/509905134.db2.gz OPHPKQDLLZYTGE-GDBMZVCRSA-N 1 0 372.469 2.553 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N[C@H]3C[NH2+]CC[C@@H]3C)cc2[N+](=O)[O-])CC1 ZINC000186868150 509920125 /nfs/dbraw/zinc/92/01/25/509920125.db2.gz KGAFGAHVTUYUOU-HOCLYGCPSA-N 1 0 360.458 2.559 20 5 FFBDRO COc1ccc(NC(=O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000180447157 509928975 /nfs/dbraw/zinc/92/89/75/509928975.db2.gz GLIJNFOOKNQKNP-LBPRGKRZSA-N 1 0 359.382 2.901 20 5 FFBDRO CCNC(=O)c1cccc(NC(=O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000180447681 509929135 /nfs/dbraw/zinc/92/91/35/509929135.db2.gz PKDSBVJXRPJPAX-ZDUSSCGKSA-N 1 0 370.409 2.634 20 5 FFBDRO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN([C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)CC2 ZINC000245492563 509961271 /nfs/dbraw/zinc/96/12/71/509961271.db2.gz JSHNOFUARYZLDS-KYJSFNMBSA-N 1 0 360.458 2.869 20 5 FFBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+](C)C[C@@H]1CCCOC1 ZINC000174150287 509970434 /nfs/dbraw/zinc/97/04/34/509970434.db2.gz APCCRGCVCAKUSD-NEPJUHHUSA-N 1 0 355.822 2.934 20 5 FFBDRO COC(=O)c1cnc(NCCCC[N@@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000190168059 509982248 /nfs/dbraw/zinc/98/22/48/509982248.db2.gz MVARUVADTVZCBT-CYBMUJFWSA-N 1 0 350.419 2.700 20 5 FFBDRO Cc1cc(NC(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000193624072 509994141 /nfs/dbraw/zinc/99/41/41/509994141.db2.gz SZDOUNGGFQLQCC-KBPBESRZSA-N 1 0 350.419 2.524 20 5 FFBDRO [NH3+]CCN(CCc1ccccc1)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000261628266 510006530 /nfs/dbraw/zinc/00/65/30/510006530.db2.gz ASKCKWCNHDLVAV-UHFFFAOYSA-N 1 0 361.829 2.821 20 5 FFBDRO NC(=O)c1cccc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000174244556 510022141 /nfs/dbraw/zinc/02/21/41/510022141.db2.gz OFUXVCFYGLKXGY-UHFFFAOYSA-N 1 0 355.394 2.737 20 5 FFBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000180647531 510033001 /nfs/dbraw/zinc/03/30/01/510033001.db2.gz AOIDQTSOUFAEQG-HNNXBMFYSA-N 1 0 354.410 2.571 20 5 FFBDRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000193734601 510042914 /nfs/dbraw/zinc/04/29/14/510042914.db2.gz FKFOYHRFRTWCOB-UHFFFAOYSA-N 1 0 356.382 2.852 20 5 FFBDRO COC(=O)[C@H](O)C1CC[NH+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000180672155 510046611 /nfs/dbraw/zinc/04/66/11/510046611.db2.gz SATTUSPWVNCTDS-GOSISDBHSA-N 1 0 374.393 2.601 20 5 FFBDRO O=C(CCNc1ccccc1[N+](=O)[O-])NC1CC[NH+](C2CCCC2)CC1 ZINC000177436028 510057526 /nfs/dbraw/zinc/05/75/26/510057526.db2.gz LNDJXHWOYSAIFJ-UHFFFAOYSA-N 1 0 360.458 2.920 20 5 FFBDRO [NH3+]CCN(CCc1ccccc1)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000261820934 510077238 /nfs/dbraw/zinc/07/72/38/510077238.db2.gz ULBKRSSMYIJENP-UHFFFAOYSA-N 1 0 367.409 2.648 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(c2ncc[nH]2)CC1 ZINC000265481394 510079385 /nfs/dbraw/zinc/07/93/85/510079385.db2.gz KXGXLWQTEMOSAR-UHFFFAOYSA-N 1 0 373.413 2.535 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1ccc2c(c1)CC(=O)N2C ZINC000268859817 510104908 /nfs/dbraw/zinc/10/49/08/510104908.db2.gz JFPXWHBTHATEHZ-LBPRGKRZSA-N 1 0 355.394 2.973 20 5 FFBDRO O=C(Nc1ncc(C2CC[NH2+]CC2)s1)c1ccc(F)cc1[N+](=O)[O-] ZINC000261966838 510132333 /nfs/dbraw/zinc/13/23/33/510132333.db2.gz AYRWZBJLWDCBRB-UHFFFAOYSA-N 1 0 350.375 2.910 20 5 FFBDRO C[C@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000187223770 510135636 /nfs/dbraw/zinc/13/56/36/510135636.db2.gz RGUGCNBEFRNXMQ-LIRRHRJNSA-N 1 0 357.410 2.781 20 5 FFBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000177566151 510136732 /nfs/dbraw/zinc/13/67/32/510136732.db2.gz OBABGUCZOVWJEZ-WDEREUQCSA-N 1 0 370.247 2.960 20 5 FFBDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000261993301 510141116 /nfs/dbraw/zinc/14/11/16/510141116.db2.gz PDDOOORLVJNXGE-QWRGUYRKSA-N 1 0 374.363 2.611 20 5 FFBDRO C[C@@H]1C[C@@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000180848489 510142828 /nfs/dbraw/zinc/14/28/28/510142828.db2.gz LSQILKSERRLOMD-ZBFHGGJFSA-N 1 0 368.437 2.960 20 5 FFBDRO COc1ccc(C[NH2+]CCCN2C(=O)COc3ccccc32)cc1[N+](=O)[O-] ZINC000174520675 510157012 /nfs/dbraw/zinc/15/70/12/510157012.db2.gz DSLHFXHCUDHBBZ-UHFFFAOYSA-N 1 0 371.393 2.509 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)NCCC[NH+]2CCCC2)cc1SC ZINC000171486891 510188819 /nfs/dbraw/zinc/18/88/19/510188819.db2.gz CYAWBHXYNJRALL-UHFFFAOYSA-N 1 0 353.444 2.541 20 5 FFBDRO C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccccn1)c1cccc([N+](=O)[O-])c1 ZINC000171547005 510219861 /nfs/dbraw/zinc/21/98/61/510219861.db2.gz YCAJFFDSJOAFLV-HNNXBMFYSA-N 1 0 371.441 2.824 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3CC[C@H](C2)[N@@H+]3C)cc1SC ZINC000174665869 510239818 /nfs/dbraw/zinc/23/98/18/510239818.db2.gz DNVWKTLOJCAROT-NWDGAFQWSA-N 1 0 365.455 2.634 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H](c2cccc(F)c2)C2CCCC2)c1 ZINC000181022042 510242790 /nfs/dbraw/zinc/24/27/90/510242790.db2.gz VZIICZWSDCRUPD-ZWKOTPCHSA-N 1 0 362.405 2.812 20 5 FFBDRO C[N@H+](Cc1ccccc1)[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)C1CC1 ZINC000187463331 510280301 /nfs/dbraw/zinc/28/03/01/510280301.db2.gz SVBKINLVPCTFNJ-GOSISDBHSA-N 1 0 368.437 2.817 20 5 FFBDRO CCCN(C(=O)c1cc(F)cc([N+](=O)[O-])c1Br)[C@H]1CC[NH2+]C1 ZINC000269192073 510283039 /nfs/dbraw/zinc/28/30/39/510283039.db2.gz YHQGUGJMVLSXBG-JTQLQIEISA-N 1 0 374.210 2.711 20 5 FFBDRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000269196433 510286346 /nfs/dbraw/zinc/28/63/46/510286346.db2.gz VGKYMIOJNIUDLL-KWQFWETISA-N 1 0 374.210 2.838 20 5 FFBDRO O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCC[C@@H]1CC[NH2+]C1 ZINC000262593297 510329344 /nfs/dbraw/zinc/32/93/44/510329344.db2.gz SQQFEMRQBCRAHC-NSHDSACASA-N 1 0 374.363 2.531 20 5 FFBDRO C[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(N2CCOC2=O)cc1 ZINC000181280608 510335727 /nfs/dbraw/zinc/33/57/27/510335727.db2.gz SDWFVTJGQQDSPW-FZKQIMNGSA-N 1 0 371.393 2.936 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[NH+]([C@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000177960473 510347921 /nfs/dbraw/zinc/34/79/21/510347921.db2.gz DMDUDFRNYORHJY-FCEWJHQRSA-N 1 0 372.469 2.648 20 5 FFBDRO CCc1n[nH]c(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000171805896 510380720 /nfs/dbraw/zinc/38/07/20/510380720.db2.gz DYMHCVIVQDQURA-OAHLLOKOSA-N 1 0 371.441 2.665 20 5 FFBDRO C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)c3cc(F)ccc3[N+](=O)[O-])nc2)C1 ZINC000269408204 510389388 /nfs/dbraw/zinc/38/93/88/510389388.db2.gz GOQCBRADDJZKBC-CQSZACIVSA-N 1 0 373.388 2.522 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000266068894 510391039 /nfs/dbraw/zinc/39/10/39/510391039.db2.gz LLKXBPQUGVXOGS-UHFFFAOYSA-N 1 0 354.410 2.693 20 5 FFBDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000178167908 510468470 /nfs/dbraw/zinc/46/84/70/510468470.db2.gz ZNBPVHZAMJDRFT-UHFFFAOYSA-N 1 0 356.426 2.947 20 5 FFBDRO Cc1ccc([C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2N)[NH+]2CCCC2)o1 ZINC000178186310 510478266 /nfs/dbraw/zinc/47/82/66/510478266.db2.gz UXHSMJVJNFBMNZ-OAHLLOKOSA-N 1 0 358.398 2.645 20 5 FFBDRO CCC[N@@H+]1CC[C@@H](CNC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000184739981 510492749 /nfs/dbraw/zinc/49/27/49/510492749.db2.gz OCDRJGBDNUCJJZ-LBPRGKRZSA-N 1 0 354.838 2.779 20 5 FFBDRO O=C1OCCN1c1cc([N+](=O)[O-])ccc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000266311572 510510781 /nfs/dbraw/zinc/51/07/81/510510781.db2.gz DNVNNZCFEQSOGB-OAHLLOKOSA-N 1 0 360.414 2.616 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000181637567 510514748 /nfs/dbraw/zinc/51/47/48/510514748.db2.gz KMYNKVWDHHODII-KBPBESRZSA-N 1 0 361.442 2.986 20 5 FFBDRO C[C@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)[NH+](C)C ZINC000269709343 510520633 /nfs/dbraw/zinc/52/06/33/510520633.db2.gz UGIDAXMTQICNIP-SSDOTTSWSA-N 1 0 364.627 2.691 20 5 FFBDRO Cc1ccccc1[C@H](C)[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000178338566 510554028 /nfs/dbraw/zinc/55/40/28/510554028.db2.gz FCULOKTVYKZFKA-AWEZNQCLSA-N 1 0 363.439 2.532 20 5 FFBDRO CCN(CCC[NH+](CC)CC)C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000188060873 510572167 /nfs/dbraw/zinc/57/21/67/510572167.db2.gz FUXCAGUNJMZDFB-UHFFFAOYSA-N 1 0 374.441 2.630 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000191359882 510622737 /nfs/dbraw/zinc/62/27/37/510622737.db2.gz FYDUXNAVZOSVGT-OAHLLOKOSA-N 1 0 364.446 2.786 20 5 FFBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CC[NH2+]C(C)(C)C3)cc2[N+](=O)[O-])C1 ZINC000175432272 510645051 /nfs/dbraw/zinc/64/50/51/510645051.db2.gz QZLQRNYDEHJQCB-GASCZTMLSA-N 1 0 374.485 2.901 20 5 FFBDRO C[NH+](C)Cc1ccc(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000195134685 510683549 /nfs/dbraw/zinc/68/35/49/510683549.db2.gz QNHPNPUBOKHJDA-UHFFFAOYSA-N 1 0 368.437 2.619 20 5 FFBDRO C[C@@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1cccc(F)c1F ZINC000181976586 510688044 /nfs/dbraw/zinc/68/80/44/510688044.db2.gz VXCOLQSKLAWEMV-DGCLKSJQSA-N 1 0 352.337 2.964 20 5 FFBDRO CN(CCC[NH+](C)C)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000181982198 510691868 /nfs/dbraw/zinc/69/18/68/510691868.db2.gz GPBUNRBEGQJROP-UHFFFAOYSA-N 1 0 351.450 2.565 20 5 FFBDRO Cc1c(CN(C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000188294266 510694471 /nfs/dbraw/zinc/69/44/71/510694471.db2.gz FBRXSKNKJVNYTK-NRFANRHFSA-N 1 0 369.465 2.972 20 5 FFBDRO CCOCCC[N@@H+]1CC[C@@H](Nc2nc3sccn3c2[N+](=O)[O-])[C@@H](C)C1 ZINC000246829975 510699020 /nfs/dbraw/zinc/69/90/20/510699020.db2.gz PGQQUFPRUIGPID-QWHCGFSZSA-N 1 0 367.475 2.853 20 5 FFBDRO Cc1cccc([C@@H]2CCC[N@@H+]2C[C@H](O)COc2ccccc2[N+](=O)[O-])n1 ZINC000182028863 510718522 /nfs/dbraw/zinc/71/85/22/510718522.db2.gz WAMOLBFHFJLFSY-RDJZCZTQSA-N 1 0 357.410 2.875 20 5 FFBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000246870358 510719284 /nfs/dbraw/zinc/71/92/84/510719284.db2.gz SIQAKKVFOIKCFY-YOEHRIQHSA-N 1 0 363.458 2.770 20 5 FFBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000172420996 510719465 /nfs/dbraw/zinc/71/94/65/510719465.db2.gz WDRTWDLTAPBNNW-UHFFFAOYSA-N 1 0 360.458 2.751 20 5 FFBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)NC1CC[NH+](C2CCCC2)CC1 ZINC000175671436 510725474 /nfs/dbraw/zinc/72/54/74/510725474.db2.gz RPUSGXUWYFUURO-UHFFFAOYSA-N 1 0 360.458 2.844 20 5 FFBDRO COC(=O)[C@@](C)(C[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)c1ccccc1 ZINC000191577600 510732374 /nfs/dbraw/zinc/73/23/74/510732374.db2.gz UTTPLOHGGJXQBL-IBGZPJMESA-N 1 0 358.394 2.824 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H](C)C[NH+]1CCCCCC1 ZINC000188468047 510781370 /nfs/dbraw/zinc/78/13/70/510781370.db2.gz OAHMMLJQRHXRMK-CQSZACIVSA-N 1 0 364.446 2.667 20 5 FFBDRO Nc1c(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cccc1[N+](=O)[O-] ZINC000175780042 510787851 /nfs/dbraw/zinc/78/78/51/510787851.db2.gz QBIKSIBIBTWWJM-UHFFFAOYSA-N 1 0 354.410 2.703 20 5 FFBDRO C[C@H](CCNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)[NH+]1CCCCC1 ZINC000182222729 510821321 /nfs/dbraw/zinc/82/13/21/510821321.db2.gz VWYYLMKZZZRACS-OAHLLOKOSA-N 1 0 371.441 2.775 20 5 FFBDRO C[NH2+]C[C@@H]1CCN(C(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC000247331470 510857384 /nfs/dbraw/zinc/85/73/84/510857384.db2.gz VBKKAVANVGSPGJ-JYJNAYRXSA-N 1 0 374.485 2.759 20 5 FFBDRO CC[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000247645663 510867587 /nfs/dbraw/zinc/86/75/87/510867587.db2.gz UIGBNJQJUQRWTH-QRVBRYPASA-N 1 0 358.442 2.810 20 5 FFBDRO CC(=O)c1ccc(N2CCC(N3CC[NH+](C(C)C)CC3)CC2)c([N+](=O)[O-])c1 ZINC000270517482 510893587 /nfs/dbraw/zinc/89/35/87/510893587.db2.gz ZFQSWFWRTUIBJR-UHFFFAOYSA-N 1 0 374.485 2.792 20 5 FFBDRO COC(=O)Cc1ccc(N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c([N+](=O)[O-])c1 ZINC000297354298 510914623 /nfs/dbraw/zinc/91/46/23/510914623.db2.gz BRYJFFCKROFKSX-WBVHZDCISA-N 1 0 373.453 2.763 20 5 FFBDRO CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285531520 510944780 /nfs/dbraw/zinc/94/47/80/510944780.db2.gz PBZDVXVVLXWBRL-ONXXMXGDSA-N 1 0 366.849 2.744 20 5 FFBDRO C[C@@H]1OCC[C@]12CN(Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)CCO2 ZINC000294089317 510951104 /nfs/dbraw/zinc/95/11/04/510951104.db2.gz LRFSVFCOLLKVIN-NHYWBVRUSA-N 1 0 360.332 2.993 20 5 FFBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000285659502 510998235 /nfs/dbraw/zinc/99/82/35/510998235.db2.gz FHTWSDWEKNXVEB-PBHICJAKSA-N 1 0 356.426 2.635 20 5 FFBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000270857517 511006430 /nfs/dbraw/zinc/00/64/30/511006430.db2.gz YVMYPUZVFGGTOT-UGSOOPFHSA-N 1 0 358.442 2.752 20 5 FFBDRO CC(C)N1CC[NH+](C2CCN(Cc3ccc([N+](=O)[O-])cc3F)CC2)CC1 ZINC000270965431 511039855 /nfs/dbraw/zinc/03/98/55/511039855.db2.gz VMMLJEFNFCVYMQ-UHFFFAOYSA-N 1 0 364.465 2.724 20 5 FFBDRO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000364725634 511044886 /nfs/dbraw/zinc/04/48/86/511044886.db2.gz ZXXYXNBCELMKJM-RDTXWAMCSA-N 1 0 366.893 2.706 20 5 FFBDRO COc1cc(C(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000294648390 511131747 /nfs/dbraw/zinc/13/17/47/511131747.db2.gz VLSSCFLMBRFZRJ-NWDGAFQWSA-N 1 0 353.394 2.593 20 5 FFBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000282869934 511141306 /nfs/dbraw/zinc/14/13/06/511141306.db2.gz WBECQPCVJIQEIU-ALOPSCKCSA-N 1 0 360.458 2.794 20 5 FFBDRO COc1cc(C[NH2+][C@@H](C)CCCCO)c([N+](=O)[O-])cc1OCC(F)F ZINC000295027096 511256513 /nfs/dbraw/zinc/25/65/13/511256513.db2.gz LGGZVKYBMUKIND-NSHDSACASA-N 1 0 362.373 2.888 20 5 FFBDRO Cn1cc([C@@H]2C[N@H+](CCc3ccc([N+](=O)[O-])cc3)CC23CCOCC3)cn1 ZINC000295176317 511310638 /nfs/dbraw/zinc/31/06/38/511310638.db2.gz QWHXPYOTQBAQTA-IBGZPJMESA-N 1 0 370.453 2.767 20 5 FFBDRO COc1cc(C[NH2+]CC2([C@H](C)CCO)CCC2)c([N+](=O)[O-])cc1OC ZINC000271796851 511327520 /nfs/dbraw/zinc/32/75/20/511327520.db2.gz IALLEZNGOBYVHG-CYBMUJFWSA-N 1 0 352.431 2.890 20 5 FFBDRO Cn1nccc1[C@H]1CCC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000363095640 511350511 /nfs/dbraw/zinc/35/05/11/511350511.db2.gz MHBNXFXIJFTHIW-AWEZNQCLSA-N 1 0 368.397 2.758 20 5 FFBDRO COCCCN(C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)C1CC[NH+](C)CC1 ZINC000291946319 511401632 /nfs/dbraw/zinc/40/16/32/511401632.db2.gz ZCYFOWYSOUYUIJ-UHFFFAOYSA-N 1 0 374.441 2.649 20 5 FFBDRO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000365490733 511483629 /nfs/dbraw/zinc/48/36/29/511483629.db2.gz XWTSSCWBIKPRSU-GFCCVEGCSA-N 1 0 370.356 2.898 20 5 FFBDRO C[C@H]1CN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C)CC[N@@H+](C2CCC2)C1 ZINC000295839685 511532216 /nfs/dbraw/zinc/53/22/16/511532216.db2.gz DHKZHGAUOXUPLQ-CQSZACIVSA-N 1 0 370.457 2.701 20 5 FFBDRO C[NH+](C)CC1CCN(c2ccc(Nc3ncc([N+](=O)[O-])cn3)cc2)CC1 ZINC000273569925 511538407 /nfs/dbraw/zinc/53/84/07/511538407.db2.gz CZOMIYZTOSNVHA-UHFFFAOYSA-N 1 0 356.430 2.906 20 5 FFBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000292300133 511542778 /nfs/dbraw/zinc/54/27/78/511542778.db2.gz MRZLQBOALJXTLI-CABCVRRESA-N 1 0 360.458 2.728 20 5 FFBDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000280646781 511547977 /nfs/dbraw/zinc/54/79/77/511547977.db2.gz JFMSLNDEZFAOOF-ZBFHGGJFSA-N 1 0 372.425 2.817 20 5 FFBDRO COc1cccc([C@@H](CNC(=O)c2cc(F)ccc2[N+](=O)[O-])[NH+](C)C)c1 ZINC000299324418 511592401 /nfs/dbraw/zinc/59/24/01/511592401.db2.gz DCICMSTXSSWBPE-QGZVFWFLSA-N 1 0 361.373 2.775 20 5 FFBDRO C[NH+]1CCC(C)(CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000273835812 511626123 /nfs/dbraw/zinc/62/61/23/511626123.db2.gz IJRBZACZBDIZFG-UHFFFAOYSA-N 1 0 351.422 2.860 20 5 FFBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000296215945 511659185 /nfs/dbraw/zinc/65/91/85/511659185.db2.gz CXJXRUGELZTOEC-NVXWUHKLSA-N 1 0 359.426 2.500 20 5 FFBDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)C2)C1 ZINC000292699113 511690835 /nfs/dbraw/zinc/69/08/35/511690835.db2.gz QQINZVSRLSAMFZ-MRXNPFEDSA-N 1 0 370.356 2.756 20 5 FFBDRO O=C(CC[N@@H+]1CC[C@H](OCc2ccncc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000281043389 511699688 /nfs/dbraw/zinc/69/96/88/511699688.db2.gz QEYIEJWWPNPIKL-INIZCTEOSA-N 1 0 370.409 2.610 20 5 FFBDRO C[C@@H]1CCC[N@H+](CCCCNc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 ZINC000301709663 511701214 /nfs/dbraw/zinc/70/12/14/511701214.db2.gz XAJPUIQJXMCKSN-CYBMUJFWSA-N 1 0 362.430 2.850 20 5 FFBDRO C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365888372 511711268 /nfs/dbraw/zinc/71/12/68/511711268.db2.gz WYPQNXQJYVNCLC-QLFBSQMISA-N 1 0 363.462 2.606 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(CNC(=O)C(F)(F)F)CC1 ZINC000281135030 511733552 /nfs/dbraw/zinc/73/35/52/511733552.db2.gz DHCZARGODJDGGY-UHFFFAOYSA-N 1 0 359.348 2.794 20 5 FFBDRO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000296454786 511749010 /nfs/dbraw/zinc/74/90/10/511749010.db2.gz XEHXFRIQFINIDC-FOOGCRFISA-N 1 0 367.833 2.978 20 5 FFBDRO O=C(NCC1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1)C(F)(F)F ZINC000281234958 511769232 /nfs/dbraw/zinc/76/92/32/511769232.db2.gz LGQCHLXNWBQJEE-HWKANZROSA-N 1 0 371.359 2.999 20 5 FFBDRO CC(C)(COCc1ccccc1)[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000281240998 511772354 /nfs/dbraw/zinc/77/23/54/511772354.db2.gz CZUJHVCCTJILIW-UHFFFAOYSA-N 1 0 357.410 2.779 20 5 FFBDRO C[C@@H](CNc1ccc(I)cc1[N+](=O)[O-])C[NH+](C)C ZINC000310785461 511774433 /nfs/dbraw/zinc/77/44/33/511774433.db2.gz SRGZAVWEDMOFEY-VIFPVBQESA-N 1 0 363.199 2.809 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000312178385 511782291 /nfs/dbraw/zinc/78/22/91/511782291.db2.gz PWQIHRGIWJOSGY-OAHLLOKOSA-N 1 0 370.409 2.853 20 5 FFBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@@H]1CCCc2c1cnn2CCO)C1CC1 ZINC000363832445 511794329 /nfs/dbraw/zinc/79/43/29/511794329.db2.gz SDASAEZJXMNTAY-MSOLQXFVSA-N 1 0 370.453 2.772 20 5 FFBDRO CC(C)[C@@]1(CO)CCC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000292980141 511794385 /nfs/dbraw/zinc/79/43/85/511794385.db2.gz HGUAIDSQIRRRBH-SFHVURJKSA-N 1 0 350.415 2.692 20 5 FFBDRO COc1cc(C[NH2+][C@H](C)CNC(=O)OC(C)(C)C)c([N+](=O)[O-])cc1OC ZINC000274400465 511821582 /nfs/dbraw/zinc/82/15/82/511821582.db2.gz MMKBXHPJYBKQRG-LLVKDONJSA-N 1 0 369.418 2.615 20 5 FFBDRO Cc1c(NC(=O)CCN2CC[N@@H+](C3CC3)C[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000296696807 511859020 /nfs/dbraw/zinc/85/90/20/511859020.db2.gz KNPFAUCKJDUSMX-AWEZNQCLSA-N 1 0 360.458 2.648 20 5 FFBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@H](O)COCc2ccccc2Cl)cc1 ZINC000326687260 511861714 /nfs/dbraw/zinc/86/17/14/511861714.db2.gz QAQQOXQVXPCKEL-KRWDZBQOSA-N 1 0 364.829 2.958 20 5 FFBDRO CN1CCO[C@@H]2CC[N@H+](Cc3cc(=O)oc4ccc5ccccc5c34)C[C@@H]21 ZINC000284797605 511873817 /nfs/dbraw/zinc/87/38/17/511873817.db2.gz OITJSTREGISUNN-RBUKOAKNSA-N 1 0 364.445 2.851 20 5 FFBDRO Cc1n[nH]c(C(=O)N[C@@H](C[N@H+](C)Cc2ccccc2)C(C)C)c1[N+](=O)[O-] ZINC000274579490 511879811 /nfs/dbraw/zinc/87/98/11/511879811.db2.gz SGIOJASEKYRLAE-HNNXBMFYSA-N 1 0 359.430 2.513 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCCC[C@H]1c1cc[nH]n1 ZINC000285292153 512066837 /nfs/dbraw/zinc/06/68/37/512066837.db2.gz GNIYZHQOQUKCRM-INIZCTEOSA-N 1 0 373.413 2.882 20 5 FFBDRO C[C@H]([NH2+]Cc1ccc(CS(C)(=O)=O)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293751992 512074158 /nfs/dbraw/zinc/07/41/58/512074158.db2.gz OGCONENWTKNHTR-LBPRGKRZSA-N 1 0 363.439 2.572 20 5 FFBDRO C[C@@H]1C[N@@H+](CC2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)C[C@H](C)O1 ZINC000364410173 512107339 /nfs/dbraw/zinc/10/73/39/512107339.db2.gz AUQMELSEKPGYKE-GASCZTMLSA-N 1 0 361.442 2.556 20 5 FFBDRO COc1cccc(C(=O)N(CC[NH+](C)C)Cc2ccsc2)c1[N+](=O)[O-] ZINC000411107423 512472406 /nfs/dbraw/zinc/47/24/06/512472406.db2.gz ALANEOQSSHNCAS-UHFFFAOYSA-N 1 0 363.439 2.869 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(CC(=O)NCC2([NH+](C)C)CCCCC2)c1F ZINC000411133470 512483667 /nfs/dbraw/zinc/48/36/67/512483667.db2.gz MRLFGCUBCQTCAC-UHFFFAOYSA-N 1 0 367.421 2.666 20 5 FFBDRO O=C1NCCN1[C@H]1CCC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000367478708 512522147 /nfs/dbraw/zinc/52/21/47/512522147.db2.gz MTXDWRGNSYHHAO-INIZCTEOSA-N 1 0 370.409 2.844 20 5 FFBDRO CN(C(=O)C[N@@H+]1CCC[C@H](C[C@@H]2CCOC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000375830523 512528811 /nfs/dbraw/zinc/52/88/11/512528811.db2.gz KLRVPZBMJABWGJ-CVEARBPZSA-N 1 0 361.442 2.696 20 5 FFBDRO O=C(CC[N@@H+](CCO)[C@H]1CCc2ccccc21)Nc1ccc([N+](=O)[O-])cc1 ZINC000411339357 512587791 /nfs/dbraw/zinc/58/77/91/512587791.db2.gz YUDJNXRRGHBEKT-IBGZPJMESA-N 1 0 369.421 2.905 20 5 FFBDRO C[N@@H+]1CCCC12CCN(c1ncc(Br)cc1[N+](=O)[O-])CC2 ZINC000367646570 512598347 /nfs/dbraw/zinc/59/83/47/512598347.db2.gz SGFCZVOJHUNRQD-UHFFFAOYSA-N 1 0 355.236 2.817 20 5 FFBDRO COc1cc(CC2C[NH+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)cc(OC)c1 ZINC000371958676 512654267 /nfs/dbraw/zinc/65/42/67/512654267.db2.gz GDZSDKDCYJTNJP-HXUWFJFHSA-N 1 0 372.421 2.820 20 5 FFBDRO Cc1c(CC(=O)N[C@H]2C[N@@H+](C)C[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000374315535 512762701 /nfs/dbraw/zinc/76/27/01/512762701.db2.gz GAWLSSAIPDSNHO-ROUUACIJSA-N 1 0 353.422 2.660 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000374413940 512821503 /nfs/dbraw/zinc/82/15/03/512821503.db2.gz YMQQJDMQQFEOQI-FVQBIDKESA-N 1 0 367.833 2.572 20 5 FFBDRO C[N@@H+]1CCCC12CCN(C(=O)c1ccc([N+](=O)[O-])c3cccnc13)CC2 ZINC000368187192 512837699 /nfs/dbraw/zinc/83/76/99/512837699.db2.gz DJZZPWUPIFYOBQ-UHFFFAOYSA-N 1 0 354.410 2.843 20 5 FFBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000376523510 512855961 /nfs/dbraw/zinc/85/59/61/512855961.db2.gz VOTBQKSIRCMCIO-CXAGYDPISA-N 1 0 358.442 2.868 20 5 FFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCC[C@](CO)(c3ccccc3)C2)c1 ZINC000374531873 512876395 /nfs/dbraw/zinc/87/63/95/512876395.db2.gz SXXDQKHSZOELGS-PMACEKPBSA-N 1 0 356.422 2.654 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@@](CO)(c3ccccc3)C2)c1 ZINC000374531876 512876586 /nfs/dbraw/zinc/87/65/86/512876586.db2.gz SXXDQKHSZOELGS-WOJBJXKFSA-N 1 0 356.422 2.654 20 5 FFBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H](C)[C@](C)(OC)C2CC2)c([N+](=O)[O-])c1 ZINC000411973079 512897006 /nfs/dbraw/zinc/89/70/06/512897006.db2.gz RBDDDPYTEZGPGE-SGTLLEGYSA-N 1 0 365.430 2.725 20 5 FFBDRO CNc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000389952303 512903598 /nfs/dbraw/zinc/90/35/98/512903598.db2.gz SNMINEUWGIKXND-KBXCAEBGSA-N 1 0 368.437 2.887 20 5 FFBDRO C[C@H](C(=O)Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)[NH+]1[C@H](C)CC[C@H]1C ZINC000411996279 512906798 /nfs/dbraw/zinc/90/67/98/512906798.db2.gz GEQJXDHFJOITQK-IJLUTSLNSA-N 1 0 358.402 2.580 20 5 FFBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]C3(CO)C4CC5CC(C4)CC3C5)nc2c1 ZINC000412002605 512907925 /nfs/dbraw/zinc/90/79/25/512907925.db2.gz MAXMTOIXKUSHOQ-UHFFFAOYSA-N 1 0 356.426 2.748 20 5 FFBDRO O=C1[C@H]([N@@H+]2CC[C@H](Cc3ccncc3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000368486964 512970534 /nfs/dbraw/zinc/97/05/34/512970534.db2.gz QQBVPLKRRPHBGG-VQIMIIECSA-N 1 0 366.421 2.660 20 5 FFBDRO Cc1ncc2c(n1)CC[C@H]([NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)C2 ZINC000370671357 513044165 /nfs/dbraw/zinc/04/41/65/513044165.db2.gz QKKNBCJNNVUHAD-LRDDRELGSA-N 1 0 369.425 2.557 20 5 FFBDRO COCC[C@H]1CCCC[N@H+](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000368678320 513058018 /nfs/dbraw/zinc/05/80/18/513058018.db2.gz UUBOBUJEWRPRPG-CQSZACIVSA-N 1 0 365.430 2.681 20 5 FFBDRO C[C@@H](NC(=O)NCc1ccnc(-n2ccnc2)c1)c1cccc([N+](=O)[O-])c1 ZINC000368823728 513114806 /nfs/dbraw/zinc/11/48/06/513114806.db2.gz MOMYJTVWCMSODW-CYBMUJFWSA-N 1 0 366.381 2.736 20 5 FFBDRO NC(=O)c1ccccc1N1CC[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000370830567 513116158 /nfs/dbraw/zinc/11/61/58/513116158.db2.gz OBGLOQZFVAASDM-ZDUSSCGKSA-N 1 0 374.828 2.716 20 5 FFBDRO CC(C)[C@H](CC(F)(F)F)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000445882238 513137580 /nfs/dbraw/zinc/13/75/80/513137580.db2.gz YXYDGPIWIZIASG-RYUDHWBXSA-N 1 0 350.337 2.901 20 5 FFBDRO C[C@H]1CCCN(c2ccc(C(=O)NC3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2[N+](=O)[O-])C1 ZINC000428605868 513140305 /nfs/dbraw/zinc/14/03/05/513140305.db2.gz ZYDXXEJFJFFQPU-JTUUTPGSSA-N 1 0 372.469 2.844 20 5 FFBDRO Cc1nc(NCC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000450401269 513178743 /nfs/dbraw/zinc/17/87/43/513178743.db2.gz HXUZEFSPXKPWHD-PBHICJAKSA-N 1 0 355.442 2.828 20 5 FFBDRO C[C@@H]1CN(c2nccc3c2cccc3[N+](=O)[O-])CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000450411861 513182128 /nfs/dbraw/zinc/18/21/28/513182128.db2.gz OGXLDJGAZZZFAD-QAPCUYQASA-N 1 0 369.469 2.605 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[NH+](CC(C)C)CC1 ZINC000439854577 513197203 /nfs/dbraw/zinc/19/72/03/513197203.db2.gz AFVFUXNTRQPMSU-UHFFFAOYSA-N 1 0 350.419 2.799 20 5 FFBDRO C[C@H](CCNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)[NH+]1CCCCC1 ZINC000450558238 513250300 /nfs/dbraw/zinc/25/03/00/513250300.db2.gz FHTCZDJKLSABLX-OAHLLOKOSA-N 1 0 371.441 2.775 20 5 FFBDRO O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000415453185 513268054 /nfs/dbraw/zinc/26/80/54/513268054.db2.gz YYBRQYQVUDHLTD-ZJUUUORDSA-N 1 0 358.320 2.687 20 5 FFBDRO O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000415453171 513268341 /nfs/dbraw/zinc/26/83/41/513268341.db2.gz YYBRQYQVUDHLTD-NXEZZACHSA-N 1 0 358.320 2.687 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@@]3(CCCc4ccccc43)C2)c1 ZINC000440326301 513293569 /nfs/dbraw/zinc/29/35/69/513293569.db2.gz MGKIUGDNHLQJON-QUCCMNQESA-N 1 0 370.453 2.522 20 5 FFBDRO O=C(NCCC[C@@H]1CCC[NH2+]1)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000417986343 513318969 /nfs/dbraw/zinc/31/89/69/513318969.db2.gz IFMVZUOEDVDQEL-AWEZNQCLSA-N 1 0 354.838 2.622 20 5 FFBDRO CC(C)([NH2+][C@H]1CCCN(CC(F)(F)F)C1=O)c1ccccc1[N+](=O)[O-] ZINC000429257965 513319091 /nfs/dbraw/zinc/31/90/91/513319091.db2.gz SZYSNHPITHCCQN-LBPRGKRZSA-N 1 0 359.348 2.973 20 5 FFBDRO CCc1nn(C)c(N2CC[N@H+](Cc3ccccc3)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000450810650 513351273 /nfs/dbraw/zinc/35/12/73/513351273.db2.gz MTAMIPYWULCHSA-HNNXBMFYSA-N 1 0 357.458 2.849 20 5 FFBDRO Cc1c(CNC(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000418077663 513363636 /nfs/dbraw/zinc/36/36/36/513363636.db2.gz IBTGAWLDSANVNM-FUHWJXTLSA-N 1 0 360.458 2.967 20 5 FFBDRO Cc1c(NC(=O)N[C@](C)(C[NH3+])C2CC2)cc(Br)cc1[N+](=O)[O-] ZINC000415653215 513363790 /nfs/dbraw/zinc/36/37/90/513363790.db2.gz IAKAHXNFNMVYNG-CQSZACIVSA-N 1 0 371.235 2.915 20 5 FFBDRO Cc1c(NC(=O)N[C@H]2CC[C@H](C[NH3+])C2)cc(Br)cc1[N+](=O)[O-] ZINC000415660652 513367138 /nfs/dbraw/zinc/36/71/38/513367138.db2.gz POALEXOYURYYBS-ONGXEEELSA-N 1 0 371.235 2.915 20 5 FFBDRO C[C@H]1C[C@@H](NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC[NH2+]1 ZINC000418094548 513369584 /nfs/dbraw/zinc/36/95/84/513369584.db2.gz VAFHEORRDLRYIU-CABZTGNLSA-N 1 0 360.336 2.553 20 5 FFBDRO CC(C)[C@H](c1ccc(F)cc1)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000434622513 513370488 /nfs/dbraw/zinc/37/04/88/513370488.db2.gz FLGCVAHFCWFMNS-IAGOWNOFSA-N 1 0 350.394 2.620 20 5 FFBDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000415692568 513383205 /nfs/dbraw/zinc/38/32/05/513383205.db2.gz HFXMFFRQFWQTHX-VHSXEESVSA-N 1 0 371.235 2.948 20 5 FFBDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)[C@@H]2C1 ZINC000425055283 513392737 /nfs/dbraw/zinc/39/27/37/513392737.db2.gz HFFLNZZPVMKDCK-XJKSGUPXSA-N 1 0 372.450 2.885 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@]1(CO)CCCc2ccccc21 ZINC000440824129 513416188 /nfs/dbraw/zinc/41/61/88/513416188.db2.gz SZKDZPSJECHRRC-FQEVSTJZSA-N 1 0 369.421 2.655 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CC3CCOCC3)CC2)c2cccnc21 ZINC000413157990 513489823 /nfs/dbraw/zinc/48/98/23/513489823.db2.gz RHJFZQIMYUMWMU-UHFFFAOYSA-N 1 0 356.426 2.692 20 5 FFBDRO O=[N+]([O-])c1ccc2ccnc(N3CC[NH+](CC4CCOCC4)CC3)c2c1 ZINC000413163200 513491733 /nfs/dbraw/zinc/49/17/33/513491733.db2.gz XHGAPGVMAWFAHP-UHFFFAOYSA-N 1 0 356.426 2.692 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@@H]2COc3ccccc3O2)n1 ZINC000447511745 513492976 /nfs/dbraw/zinc/49/29/76/513492976.db2.gz NGUZWRWAOBHPRV-QLFBSQMISA-N 1 0 358.398 2.705 20 5 FFBDRO C[NH+](C)[C@]1(CNc2ncc([N+](=O)[O-])cc2C(F)(F)F)CCSC1 ZINC000413166139 513493951 /nfs/dbraw/zinc/49/39/51/513493951.db2.gz GCSQEHJZBYAZCN-LBPRGKRZSA-N 1 0 350.366 2.858 20 5 FFBDRO COc1ccc(OCC[N@@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000441186291 513508320 /nfs/dbraw/zinc/50/83/20/513508320.db2.gz WNDSXDZADQZSLF-HUUCEWRRSA-N 1 0 350.415 2.731 20 5 FFBDRO C[C@H]([NH3+])c1ccc(CNC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000418497436 513532525 /nfs/dbraw/zinc/53/25/25/513532525.db2.gz WIDDTKGVTJWIKH-AWEZNQCLSA-N 1 0 356.426 2.999 20 5 FFBDRO O=[N+]([O-])c1ccc2[nH]c(=NC[C@@H]3CC[N@H+](CCc4ccccc4)C3)[nH]c2c1 ZINC000447695227 513544501 /nfs/dbraw/zinc/54/45/01/513544501.db2.gz VYFFXTLTBVSKIO-INIZCTEOSA-N 1 0 365.437 2.870 20 5 FFBDRO O=[N+]([O-])c1ccc2[nH]c(=NCC3([NH+]4CCSCC4)CCCC3)[nH]c2c1 ZINC000447692847 513545040 /nfs/dbraw/zinc/54/50/40/513545040.db2.gz JBDYUFHUKZDIEP-UHFFFAOYSA-N 1 0 361.471 2.667 20 5 FFBDRO C[NH+](C)[C@@H]1CCOc2c(NC(=O)c3c(N)cccc3[N+](=O)[O-])cccc21 ZINC000447724020 513553665 /nfs/dbraw/zinc/55/36/65/513553665.db2.gz SQXJHOUPNSWYKQ-CQSZACIVSA-N 1 0 356.382 2.815 20 5 FFBDRO C[NH+](C)[C@H]1CCOc2c(NC(=O)c3cc(F)cc([N+](=O)[O-])c3N)cccc21 ZINC000447728843 513554916 /nfs/dbraw/zinc/55/49/16/513554916.db2.gz MOBXDYXEWFERTC-AWEZNQCLSA-N 1 0 374.372 2.954 20 5 FFBDRO COc1c[nH+]ccc1N1CCN(c2ccc([N+](=O)[O-])c3ncccc23)CC1 ZINC000413275358 513562084 /nfs/dbraw/zinc/56/20/84/513562084.db2.gz XFNRALLVBDYXEE-UHFFFAOYSA-N 1 0 365.393 2.873 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])c(N2C[C@@H]3[C@H](C2)OCCN3Cc2ccccc2)n1 ZINC000435584235 513626452 /nfs/dbraw/zinc/62/64/52/513626452.db2.gz NKBLDGWGKJIQDM-MSOLQXFVSA-N 1 0 368.437 2.696 20 5 FFBDRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000418725155 513626796 /nfs/dbraw/zinc/62/67/96/513626796.db2.gz BTMQTJXIWBVYIF-FLOBVVSRSA-N 1 0 358.442 2.785 20 5 FFBDRO O=[N+]([O-])c1ccccc1NCCc1nc(-c2ccn3c[nH+]cc3c2)no1 ZINC000447952332 513634597 /nfs/dbraw/zinc/63/45/97/513634597.db2.gz PSVZMVJRKRJRML-UHFFFAOYSA-N 1 0 350.338 2.947 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000442093140 513666108 /nfs/dbraw/zinc/66/61/08/513666108.db2.gz GZTSQHUJQJBKFJ-GUTXKFCHSA-N 1 0 369.487 2.548 20 5 FFBDRO O=C1[C@H]([N@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)CCN1c1cccc([N+](=O)[O-])c1 ZINC000451343680 513689628 /nfs/dbraw/zinc/68/96/28/513689628.db2.gz OSIQADPCXAQWBR-MANSERQUSA-N 1 0 373.453 2.716 20 5 FFBDRO CC(C)Oc1cc(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)ccc1[N+](=O)[O-] ZINC000413620309 513740042 /nfs/dbraw/zinc/74/00/42/513740042.db2.gz AASQFCLTQGYJIX-HZPDHXFCSA-N 1 0 361.442 2.938 20 5 FFBDRO CCO[C@H]1C[C@@H]([NH2+]CCOc2ccc(OC)cc2[N+](=O)[O-])C12CCC2 ZINC000451472290 513770482 /nfs/dbraw/zinc/77/04/82/513770482.db2.gz KFAKCNLSLITKTO-SJORKVTESA-N 1 0 350.415 2.920 20 5 FFBDRO CCO[C@@H]1C[C@H]([NH2+][C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C12CCC2 ZINC000451484536 513779468 /nfs/dbraw/zinc/77/94/68/513779468.db2.gz XGEWXSBTHRUPAP-YESZJQIVSA-N 1 0 359.426 2.637 20 5 FFBDRO CC(C)O[C@@H]1C[C@@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1(C)C ZINC000451490145 513784560 /nfs/dbraw/zinc/78/45/60/513784560.db2.gz CXYVJQWFESDPMR-IAOVAPTHSA-N 1 0 352.431 2.516 20 5 FFBDRO CO[C@H]1CC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1(C)C ZINC000451558516 513833335 /nfs/dbraw/zinc/83/33/35/513833335.db2.gz DCBBYPIQJBVNGJ-INIZCTEOSA-N 1 0 363.414 2.640 20 5 FFBDRO C[C@@H](CNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)[N@@H+]1CCCC[C@@H]1C ZINC000448697169 513851033 /nfs/dbraw/zinc/85/10/33/513851033.db2.gz LFKBBLCFFQQHBF-GJZGRUSLSA-N 1 0 361.442 2.937 20 5 FFBDRO [NH3+]C[C@H]1Cc2ccccc2N1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000422617831 513874971 /nfs/dbraw/zinc/87/49/71/513874971.db2.gz PLRPLYMDEFWLDJ-MRXNPFEDSA-N 1 0 366.421 2.725 20 5 FFBDRO [NH3+]C[C@H]1Cc2ccccc2N1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000422625572 513879293 /nfs/dbraw/zinc/87/92/93/513879293.db2.gz HEVFCZNFMRYHAF-QGZVFWFLSA-N 1 0 354.410 2.704 20 5 FFBDRO CCCC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CCCC[C@H]1OC ZINC000451653217 513890173 /nfs/dbraw/zinc/89/01/73/513890173.db2.gz RMKHDYOHGNTBJP-IAGOWNOFSA-N 1 0 351.447 2.816 20 5 FFBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000448780726 513896076 /nfs/dbraw/zinc/89/60/76/513896076.db2.gz KWJHYYACJWRNQQ-CABCVRRESA-N 1 0 361.442 2.794 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(C)C(C)(C)C[NH+]2CCCC2)c1C ZINC000416664078 513896773 /nfs/dbraw/zinc/89/67/73/513896773.db2.gz RQFKOMGQXVWFAY-UHFFFAOYSA-N 1 0 369.487 2.707 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1 ZINC000451697802 513916846 /nfs/dbraw/zinc/91/68/46/513916846.db2.gz ROXAARLVRRTFOP-INMHGKMJSA-N 1 0 361.442 2.715 20 5 FFBDRO CCC[C@@H](O)[C@H](CO)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000419809126 513936628 /nfs/dbraw/zinc/93/66/28/513936628.db2.gz GIUCLCWENBYEOX-GOEBONIOSA-N 1 0 350.440 2.935 20 5 FFBDRO CC[C@@H]1C[N@H+](CC)CCN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000451730339 513944818 /nfs/dbraw/zinc/94/48/18/513944818.db2.gz OMXYQJBAPSJQKH-CYBMUJFWSA-N 1 0 354.838 2.603 20 5 FFBDRO Cc1cc(OCC(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000431713668 513977043 /nfs/dbraw/zinc/97/70/43/513977043.db2.gz DLIFMEDKYCXDLN-GASCZTMLSA-N 1 0 363.458 2.766 20 5 FFBDRO COc1cc(CCNC(=O)c2ccc([C@@H](C)[NH3+])cc2)c([N+](=O)[O-])cc1OC ZINC000422949722 513987456 /nfs/dbraw/zinc/98/74/56/513987456.db2.gz WCPMNQDVTYNRPU-GFCCVEGCSA-N 1 0 373.409 2.604 20 5 FFBDRO CC[C@@H]([NH2+]CC1(N2CCOCC2)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000414178428 513998035 /nfs/dbraw/zinc/99/80/35/513998035.db2.gz JOJJNQOXJAQSFU-GOSISDBHSA-N 1 0 363.458 2.517 20 5 FFBDRO Cc1cc(OCC(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000431835953 514014762 /nfs/dbraw/zinc/01/47/62/514014762.db2.gz XIODRUFGUVKTQO-AWEZNQCLSA-N 1 0 363.458 2.909 20 5 FFBDRO COc1ccc(CNC(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)cc1[N+](=O)[O-] ZINC000423064676 514025137 /nfs/dbraw/zinc/02/51/37/514025137.db2.gz ZKXSEEZOOWBAMB-KRWDZBQOSA-N 1 0 357.410 2.946 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])Nc1cc(C(N)=O)ccc1C[NH+](C)C ZINC000449054639 514052837 /nfs/dbraw/zinc/05/28/37/514052837.db2.gz HOMHFMFBJHOIQK-ZDUSSCGKSA-N 1 0 356.426 2.798 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccnc1N1CCOCC1 ZINC000449078045 514063856 /nfs/dbraw/zinc/06/38/56/514063856.db2.gz TZYFARFBWJJVHV-HNNXBMFYSA-N 1 0 356.426 2.547 20 5 FFBDRO COc1cccc(C(=O)NCC[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000449098165 514070362 /nfs/dbraw/zinc/07/03/62/514070362.db2.gz HQDHZWZFYUWAHV-AWEZNQCLSA-N 1 0 357.410 2.554 20 5 FFBDRO [NH3+]C[C@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CCCCC1 ZINC000420354717 514106944 /nfs/dbraw/zinc/10/69/44/514106944.db2.gz BJKYCWITQCTICR-HNNXBMFYSA-N 1 0 354.838 2.684 20 5 FFBDRO Cc1cc(OCC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000432197217 514123384 /nfs/dbraw/zinc/12/33/84/514123384.db2.gz WUGCKPYXLHYLQJ-XLIONFOSSA-N 1 0 369.421 2.844 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000423522753 514161086 /nfs/dbraw/zinc/16/10/86/514161086.db2.gz YDAIYWOWDUNGHB-CQSZACIVSA-N 1 0 354.410 2.983 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCN(C)[C@H]1c1ccnn1C ZINC000449319473 514164242 /nfs/dbraw/zinc/16/42/42/514164242.db2.gz YWOFFMFZOIKXRL-OXFYSEKESA-N 1 0 371.485 2.932 20 5 FFBDRO CS(=O)(=O)CC1CCC([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000449371145 514182744 /nfs/dbraw/zinc/18/27/44/514182744.db2.gz QSVJHFBRJGAIIO-XQRVVYSFSA-N 1 0 352.456 2.801 20 5 FFBDRO [NH3+][C@H]1CCC[C@@H](CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000423698954 514205085 /nfs/dbraw/zinc/20/50/85/514205085.db2.gz OMLIAZUKFWLHFM-SKDRFNHKSA-N 1 0 356.220 2.605 20 5 FFBDRO CC[NH+]1CCC(N2CCCN(c3ccc(F)cc3[N+](=O)[O-])CC2)CC1 ZINC000420632041 514208199 /nfs/dbraw/zinc/20/81/99/514208199.db2.gz WELGOAHPLQMDFA-UHFFFAOYSA-N 1 0 350.438 2.730 20 5 FFBDRO C[NH+](C)C1CCC(Nc2cc(CN3CCOCC3)ccc2[N+](=O)[O-])CC1 ZINC000420631569 514208450 /nfs/dbraw/zinc/20/84/50/514208450.db2.gz VJVCGDXXFBQHDX-UHFFFAOYSA-N 1 0 362.474 2.712 20 5 FFBDRO C[C@H]1CN(c2c(C(N)=O)cccc2[N+](=O)[O-])CC[N@H+](Cc2ccccc2)C1 ZINC000420639511 514211221 /nfs/dbraw/zinc/21/12/21/514211221.db2.gz QNGIJNANFGFNFG-OAHLLOKOSA-N 1 0 368.437 2.652 20 5 FFBDRO [NH3+]CC[C@@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])C(F)(F)F ZINC000423746889 514218336 /nfs/dbraw/zinc/21/83/36/514218336.db2.gz PWYRWXRAIUBAQW-SNVBAGLBSA-N 1 0 371.768 2.736 20 5 FFBDRO CCOc1cc(NC(=O)N2CCC(C[NH3+])CC2)c([N+](=O)[O-])cc1OCC ZINC000414754886 514275196 /nfs/dbraw/zinc/27/51/96/514275196.db2.gz GOIFCCFWGURYBD-UHFFFAOYSA-N 1 0 366.418 2.595 20 5 FFBDRO [NH3+][C@H]1CCC[C@@H](CNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000449641015 514276672 /nfs/dbraw/zinc/27/66/72/514276672.db2.gz CGVQCTUVCPLQHQ-YPMHNXCESA-N 1 0 360.439 2.966 20 5 FFBDRO [NH3+][C@H]1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000449647887 514280109 /nfs/dbraw/zinc/28/01/09/514280109.db2.gz PZJHRGYSLOIBIX-ZJUUUORDSA-N 1 0 356.220 2.605 20 5 FFBDRO COC(=O)c1cc([C@H](C)[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)oc1C ZINC000432778557 514282374 /nfs/dbraw/zinc/28/23/74/514282374.db2.gz DXXKEQGTZTXPPL-WCQYABFASA-N 1 0 374.397 2.925 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCCS(=O)(=O)C1)CCCC2 ZINC000417331614 514297758 /nfs/dbraw/zinc/29/77/58/514297758.db2.gz MOWWACYZSMBJAO-SUMWQHHRSA-N 1 0 352.456 2.777 20 5 FFBDRO Cc1nn(Cc2ccc(C(=O)N[C@H](C[NH3+])C(C)(C)C)cc2)c(C)c1[N+](=O)[O-] ZINC000423950744 514303686 /nfs/dbraw/zinc/30/36/86/514303686.db2.gz IWGDHWLDSUDTCS-MRXNPFEDSA-N 1 0 373.457 2.560 20 5 FFBDRO CCOC(=O)c1cc(NCCC[N@@H+]2CCCO[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000432861961 514304604 /nfs/dbraw/zinc/30/46/04/514304604.db2.gz CQQCAABJCBIMFE-AWEZNQCLSA-N 1 0 365.430 2.684 20 5 FFBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000424005370 514334718 /nfs/dbraw/zinc/33/47/18/514334718.db2.gz SUSBWVBPWSISIB-QGZVFWFLSA-N 1 0 357.435 2.860 20 5 FFBDRO Cc1cc(N[C@H]2CCCN(c3ccnn3C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000444878496 514358479 /nfs/dbraw/zinc/35/84/79/514358479.db2.gz SNCPZELNQCZOAZ-AWEZNQCLSA-N 1 0 366.425 2.688 20 5 FFBDRO O=[N+]([O-])c1cccc(OCC[NH+]2CCC(CO)(c3ccccc3)CC2)c1 ZINC000433051400 514362326 /nfs/dbraw/zinc/36/23/26/514362326.db2.gz GVVWQFQEBOHNOP-UHFFFAOYSA-N 1 0 356.422 3.000 20 5 FFBDRO Cc1ccc(Sc2ccc(CN(C)C[C@@H](O)C[NH3+])cc2[N+](=O)[O-])cc1 ZINC000415063596 514423858 /nfs/dbraw/zinc/42/38/58/514423858.db2.gz ANTCSCWKLPYNOT-HNNXBMFYSA-N 1 0 361.467 2.806 20 5 FFBDRO CN(C)C(=O)[C@@H]1CC[C@@H](C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)O1 ZINC000433226822 514428010 /nfs/dbraw/zinc/42/80/10/514428010.db2.gz IFBIZNXZDCDRJG-XKQJLSEDSA-N 1 0 361.442 2.543 20 5 FFBDRO COc1cc(CN2CC[C@@H](C)[C@H](C[NH3+])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000415103290 514445439 /nfs/dbraw/zinc/44/54/39/514445439.db2.gz DAZFSFZHEJADGZ-ZYHUDNBSSA-N 1 0 359.373 2.622 20 5 FFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCN(C)C(=O)C1 ZINC000424336631 514459390 /nfs/dbraw/zinc/45/93/90/514459390.db2.gz ZBJMDYOXJPAQHT-ZIAGYGMSSA-N 1 0 351.472 2.924 20 5 FFBDRO CCOc1ccc2c(c1)CC[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C2 ZINC000433449685 514495422 /nfs/dbraw/zinc/49/54/22/514495422.db2.gz IALNQCJJBAJRGO-SFHVURJKSA-N 1 0 372.421 2.792 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H](c2cccnc2)C2CC2)cc1 ZINC000445772548 514520353 /nfs/dbraw/zinc/52/03/53/514520353.db2.gz ILCUOUFAFJLUSG-QGZVFWFLSA-N 1 0 361.423 2.504 20 5 FFBDRO COc1c(C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000475023884 514527720 /nfs/dbraw/zinc/52/77/20/514527720.db2.gz LHMJZWJRAHRGJX-INIZCTEOSA-N 1 0 361.373 2.775 20 5 FFBDRO CCCN(CC[NH+](CC)CC)C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000461182876 514531911 /nfs/dbraw/zinc/53/19/11/514531911.db2.gz XSVKXNZDEIDSFZ-UHFFFAOYSA-N 1 0 373.457 2.975 20 5 FFBDRO C[NH+](C)CC1(NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CCC1 ZINC000439351194 514536213 /nfs/dbraw/zinc/53/62/13/514536213.db2.gz NTEWMCVMWSTDHW-UHFFFAOYSA-N 1 0 358.345 2.802 20 5 FFBDRO Cc1cc([C@@H](C)[NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])cs1 ZINC000453151828 514560030 /nfs/dbraw/zinc/56/00/30/514560030.db2.gz WKAZLUZDNQXFNC-GFCCVEGCSA-N 1 0 369.468 2.594 20 5 FFBDRO Cc1nc(NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000450257609 514568271 /nfs/dbraw/zinc/56/82/71/514568271.db2.gz WQJHHSOREOKOPS-AWEZNQCLSA-N 1 0 355.442 2.959 20 5 FFBDRO CCC[C@@H]1CN(Cc2cc(OC)c(F)cc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000466199519 514573811 /nfs/dbraw/zinc/57/38/11/514573811.db2.gz DTXJJFMJHWJQHV-OAHLLOKOSA-N 1 0 369.437 2.675 20 5 FFBDRO CN1CC[NH+](CC2CCN(c3nccc4c3cccc4[N+](=O)[O-])CC2)CC1 ZINC000450273736 514574953 /nfs/dbraw/zinc/57/49/53/514574953.db2.gz IDFVFPVJIDZHLB-UHFFFAOYSA-N 1 0 369.469 2.607 20 5 FFBDRO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000466222076 514581640 /nfs/dbraw/zinc/58/16/40/514581640.db2.gz GBOPXCMKXKDAAD-HUUCEWRRSA-N 1 0 352.822 2.674 20 5 FFBDRO CC[NH+]1CCC(n2nccc2NC(=O)c2cccc([N+](=O)[O-])c2OC)CC1 ZINC000475529159 514704534 /nfs/dbraw/zinc/70/45/34/514704534.db2.gz LIDTVQWTFVMOCD-UHFFFAOYSA-N 1 0 373.413 2.709 20 5 FFBDRO CS[C@@H]1CN(CCCOc2ccc([N+](=O)[O-])cc2)C[C@H]1[NH+]1CCCC1 ZINC000484633171 514719944 /nfs/dbraw/zinc/71/99/44/514719944.db2.gz CRPBGFCFONKGCN-QZTJIDSGSA-N 1 0 365.499 2.875 20 5 FFBDRO CCO[C@H]1COCC[C@H]1[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000484657542 514734177 /nfs/dbraw/zinc/73/41/77/514734177.db2.gz VFZCFUFWIPGDDU-WBVHZDCISA-N 1 0 361.398 2.576 20 5 FFBDRO Cc1nc(N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000471058817 514735231 /nfs/dbraw/zinc/73/52/31/514735231.db2.gz GPHDLCKQNQTDLW-IAGOWNOFSA-N 1 0 356.426 2.593 20 5 FFBDRO COCC[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@@H]1CC[C@H](C)C1 ZINC000484890431 514833071 /nfs/dbraw/zinc/83/30/71/514833071.db2.gz FJMQPTAUFUPJGB-GOEBONIOSA-N 1 0 361.442 2.621 20 5 FFBDRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)c1ccsc1 ZINC000498369889 514886169 /nfs/dbraw/zinc/88/61/69/514886169.db2.gz XGCGYUIWSLGHIQ-AWEZNQCLSA-N 1 0 350.444 2.808 20 5 FFBDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000471576294 514936502 /nfs/dbraw/zinc/93/65/02/514936502.db2.gz BAXBGMGKNYPVKL-ZIAGYGMSSA-N 1 0 356.426 2.809 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CN(C)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000489739244 514957166 /nfs/dbraw/zinc/95/71/66/514957166.db2.gz KPUQUTWOSAGFGH-QGZVFWFLSA-N 1 0 373.384 2.980 20 5 FFBDRO CC[NH+](CC)C[C@@H](C)Nc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000480489938 514974382 /nfs/dbraw/zinc/97/43/82/514974382.db2.gz LZKXVNWYJGAZHD-CYBMUJFWSA-N 1 0 359.430 2.702 20 5 FFBDRO CC(C)[NH2+]C1CCN(c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])CC1 ZINC000480486486 514974648 /nfs/dbraw/zinc/97/46/48/514974648.db2.gz CKQMHRMSUXHGBG-UHFFFAOYSA-N 1 0 371.441 2.526 20 5 FFBDRO COc1cc(C(=O)NCc2ccc(CC[NH+](C)C)cc2)cc([N+](=O)[O-])c1C ZINC000480507292 514982009 /nfs/dbraw/zinc/98/20/09/514982009.db2.gz XOGGSHQCUPXIBV-UHFFFAOYSA-N 1 0 371.437 2.946 20 5 FFBDRO Cc1ccc(C)c(S(=O)(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000480699839 515049632 /nfs/dbraw/zinc/04/96/32/515049632.db2.gz PJLIRYHJBRACAJ-WFASDCNBSA-N 1 0 369.487 2.610 20 5 FFBDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000509354590 515138559 /nfs/dbraw/zinc/13/85/59/515138559.db2.gz KTCNFVBSCLQRKL-KRWDZBQOSA-N 1 0 356.426 2.953 20 5 FFBDRO Cc1ccc(C)c(S(=O)(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000481009007 515171884 /nfs/dbraw/zinc/17/18/84/515171884.db2.gz FRIGKNOAGPTEJA-SWLSCSKDSA-N 1 0 369.487 2.610 20 5 FFBDRO C[NH+](C)CCCCNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000499222376 515243896 /nfs/dbraw/zinc/24/38/96/515243896.db2.gz HYDRLVNSUDCHOG-UHFFFAOYSA-N 1 0 363.336 2.608 20 5 FFBDRO CC[NH+](CC)CCO[C@H]1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000509671732 515284298 /nfs/dbraw/zinc/28/42/98/515284298.db2.gz GOMQMXMATQVBCP-AWEZNQCLSA-N 1 0 357.401 2.806 20 5 FFBDRO C[NH+](C)C1(CNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CCCCC1 ZINC000468307678 515305924 /nfs/dbraw/zinc/30/59/24/515305924.db2.gz IGIJCRHHLUEKDO-UHFFFAOYSA-N 1 0 355.460 2.675 20 5 FFBDRO CCC[C@H]([NH2+][C@H]1CCOC[C@@H]1OCCOC)c1cccc([N+](=O)[O-])c1 ZINC000486060550 515318263 /nfs/dbraw/zinc/31/82/63/515318263.db2.gz HOTKGQMMUBHNAP-BZSNNMDCSA-N 1 0 352.431 2.846 20 5 FFBDRO CC[N@@H+]1CCC[C@H]1CNCc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000491061871 515368289 /nfs/dbraw/zinc/36/82/89/515368289.db2.gz TYDXZYGYAPIKAH-ZDUSSCGKSA-N 1 0 373.400 2.821 20 5 FFBDRO C[C@H]1COCCN1CC[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000491069540 515369051 /nfs/dbraw/zinc/36/90/51/515369051.db2.gz YEADQQSUPUSEQR-JXFKEZNVSA-N 1 0 355.438 2.995 20 5 FFBDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000486235949 515393280 /nfs/dbraw/zinc/39/32/80/515393280.db2.gz SEFJQGQUCHJCNW-VXGBXAGGSA-N 1 0 355.385 2.795 20 5 FFBDRO C[NH+](C)CCC1CCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000486257205 515403794 /nfs/dbraw/zinc/40/37/94/515403794.db2.gz MZOWYMXEVSYKEW-UHFFFAOYSA-N 1 0 355.385 2.606 20 5 FFBDRO CCOC(=O)C[C@@](C)([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000481707882 515432953 /nfs/dbraw/zinc/43/29/53/515432953.db2.gz QTRPNAONAHOWOA-GOSISDBHSA-N 1 0 365.430 2.515 20 5 FFBDRO CCOc1cc(N2CC[NH+](CCOC(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000481765662 515458318 /nfs/dbraw/zinc/45/83/18/515458318.db2.gz TTZOBBVRWCKBCI-UHFFFAOYSA-N 1 0 351.447 2.931 20 5 FFBDRO CN(CC(=O)NCCC[N@H+](C)Cc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000463446232 515502394 /nfs/dbraw/zinc/50/23/94/515502394.db2.gz GVERYGGWXAMZRI-UHFFFAOYSA-N 1 0 370.453 2.669 20 5 FFBDRO Cc1n[nH]c(C(=O)NCc2ccccc2C[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000492307432 515525824 /nfs/dbraw/zinc/52/58/24/515525824.db2.gz HKSRCLRILRLORL-UHFFFAOYSA-N 1 0 357.414 2.542 20 5 FFBDRO COc1cc(C[N@@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)ccc1[N+](=O)[O-] ZINC000492784581 515563236 /nfs/dbraw/zinc/56/32/36/515563236.db2.gz PWSPYDIGIGEIHR-CQSZACIVSA-N 1 0 357.414 2.979 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000493507337 515639484 /nfs/dbraw/zinc/63/94/84/515639484.db2.gz UQEMXWJKXGWXAU-ZOWXZIJZSA-N 1 0 367.833 2.568 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000459550122 515640967 /nfs/dbraw/zinc/64/09/67/515640967.db2.gz SUBJFKSZYSEUOP-CYBMUJFWSA-N 1 0 350.419 2.847 20 5 FFBDRO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2Cc2c(F)cccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000505798192 515674767 /nfs/dbraw/zinc/67/47/67/515674767.db2.gz ZDLGUHFMKKJSDC-ZNMIVQPWSA-N 1 0 351.422 2.808 20 5 FFBDRO CC(C)[NH+](CCN(C)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)C(C)C ZINC000505883518 515708955 /nfs/dbraw/zinc/70/89/55/515708955.db2.gz BOQWNMPUOIVBAQ-GOSISDBHSA-N 1 0 362.474 2.751 20 5 FFBDRO C[C@H](CCCc1cccnc1)[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000459637036 515712101 /nfs/dbraw/zinc/71/21/01/515712101.db2.gz HVTQUNKWHYAGRX-OAHLLOKOSA-N 1 0 368.437 2.880 20 5 FFBDRO CCC[C@H](NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000482569754 515723002 /nfs/dbraw/zinc/72/30/02/515723002.db2.gz QFLZIPXNGUPZHW-AEFFLSMTSA-N 1 0 362.474 2.613 20 5 FFBDRO CC(C)c1ccc(C[NH2+][C@H]2CCC[C@H]2CNS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000500472099 515728785 /nfs/dbraw/zinc/72/87/85/515728785.db2.gz SGDGTQWIPACOCB-HOCLYGCPSA-N 1 0 369.487 2.526 20 5 FFBDRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000482649308 515752459 /nfs/dbraw/zinc/75/24/59/515752459.db2.gz GZTVKWGESHNAKN-HNNXBMFYSA-N 1 0 363.462 2.570 20 5 FFBDRO CN1C(=O)C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(F)c(F)c1 ZINC000494221739 515774404 /nfs/dbraw/zinc/77/44/04/515774404.db2.gz ZWLWKMUGWBWXDK-YJBOKZPZSA-N 1 0 361.348 2.935 20 5 FFBDRO O=C(CN1CCC=C(c2ccco2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000511122598 515791805 /nfs/dbraw/zinc/79/18/05/515791805.db2.gz HIDKTECEKRWNEO-UHFFFAOYSA-N 1 0 353.378 2.866 20 5 FFBDRO Cc1cc(N2CCN(Cc3cc([O-])ccc3[N+](=O)[O-])CC2)nc(C(C)C)n1 ZINC000506135071 515792493 /nfs/dbraw/zinc/79/24/93/515792493.db2.gz ARRYAJMDKLPKKB-UHFFFAOYSA-N 1 0 371.441 2.844 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+]C[C@@H]2CCCCS2)cc1[N+](=O)[O-] ZINC000473988939 515833596 /nfs/dbraw/zinc/83/35/96/515833596.db2.gz XIFLUZOFCDAGNE-ZDUSSCGKSA-N 1 0 354.428 2.522 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+][C@H](C)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000474025136 515848482 /nfs/dbraw/zinc/84/84/82/515848482.db2.gz WXOXSHYZMORYNY-SECBINFHSA-N 1 0 350.293 2.577 20 5 FFBDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)c3cc([N+](=O)[O-])n[nH]3)cc2)C1 ZINC000506357384 515857655 /nfs/dbraw/zinc/85/76/55/515857655.db2.gz QSWOEKORGQLCCT-KBPBESRZSA-N 1 0 371.441 2.726 20 5 FFBDRO CCN(CCC[NH+](CC)CC)C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000487425006 515857797 /nfs/dbraw/zinc/85/77/97/515857797.db2.gz AYQORJGTAIMRMK-UHFFFAOYSA-N 1 0 357.401 2.996 20 5 FFBDRO CCC1(CC)C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCS1 ZINC000464589557 515885534 /nfs/dbraw/zinc/88/55/34/515885534.db2.gz YSGPKSIITGIMNK-OAHLLOKOSA-N 1 0 354.472 2.942 20 5 FFBDRO COc1cc(C[NH2+]C[C@@]2(C)CCOC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000494696385 515930878 /nfs/dbraw/zinc/93/08/78/515930878.db2.gz HPYPQJGNYKIVDF-MRXNPFEDSA-N 1 0 360.357 2.764 20 5 FFBDRO CCC1(Cc2ccccc2)CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000483116199 515935185 /nfs/dbraw/zinc/93/51/85/515935185.db2.gz GUBLFNXUOXUAQJ-LJQANCHMSA-N 1 0 372.469 2.887 20 5 FFBDRO O=C(NCCCCC[NH+]1CCCC1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000455121374 515975039 /nfs/dbraw/zinc/97/50/39/515975039.db2.gz UKMMKKYOUKIFOT-UHFFFAOYSA-N 1 0 360.458 2.929 20 5 FFBDRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNc1ccc([N+](=O)[O-])cc1Cl ZINC000506755498 515975328 /nfs/dbraw/zinc/97/53/28/515975328.db2.gz VOFCBUNPYJPVMV-HNNXBMFYSA-N 1 0 354.838 2.603 20 5 FFBDRO C[C@H]1C[C@@H](NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000487819718 515992005 /nfs/dbraw/zinc/99/20/05/515992005.db2.gz QCAGYOWAQVDGCG-SMDDNHRTSA-N 1 0 366.849 2.715 20 5 FFBDRO COCC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@@H]1CCC[C@H]1C ZINC000487998523 516072434 /nfs/dbraw/zinc/07/24/34/516072434.db2.gz IGARPZFQQOKSCD-CZUORRHYSA-N 1 0 365.430 2.679 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000474568726 516096499 /nfs/dbraw/zinc/09/64/99/516096499.db2.gz RWKQYDSCIWUHLV-LLVKDONJSA-N 1 0 355.822 2.568 20 5 FFBDRO CCn1ccnc1CNC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000455296617 516102139 /nfs/dbraw/zinc/10/21/39/516102139.db2.gz RFVBXCXBMUGPND-OAHLLOKOSA-N 1 0 357.414 2.900 20 5 FFBDRO C[C@@H]1CN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C[C@H](C)[N@H+]1C ZINC000455408291 516183636 /nfs/dbraw/zinc/18/36/36/516183636.db2.gz YGNAPWRXRKLGAS-AOOOYVTPSA-N 1 0 371.235 2.914 20 5 FFBDRO COC(=O)c1cc(NC[C@]2([NH+](C)C)CCSC2)cc(C)c1[N+](=O)[O-] ZINC000474772289 516187891 /nfs/dbraw/zinc/18/78/91/516187891.db2.gz FFGIBCUAZKXXPT-MRXNPFEDSA-N 1 0 353.444 2.539 20 5 FFBDRO CC1=CCC[C@H](C)[C@H]1C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000479435584 516194263 /nfs/dbraw/zinc/19/42/63/516194263.db2.gz GKLKQSRSABZSGJ-YOEHRIQHSA-N 1 0 352.456 2.951 20 5 FFBDRO CC[N@@H+]1C[C@H](C)N(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C[C@H]1C ZINC000497558321 516326355 /nfs/dbraw/zinc/32/63/55/516326355.db2.gz NZNYULTUHCWNQF-CABCVRRESA-N 1 0 360.458 2.750 20 5 FFBDRO COC[C@](C)(CC(=O)OC)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000543619694 516331274 /nfs/dbraw/zinc/33/12/74/516331274.db2.gz XBGFCJUJVXPAKP-SFHVURJKSA-N 1 0 362.382 2.913 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@@H]1C ZINC000535383503 516335219 /nfs/dbraw/zinc/33/52/19/516335219.db2.gz CJWIJJGCCGTMPC-ZFWWWQNUSA-N 1 0 358.442 2.950 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]Cc1ccc(C(=O)N2CCOCC2)cc1 ZINC000543631074 516337823 /nfs/dbraw/zinc/33/78/23/516337823.db2.gz DRDCOSRPTWTJJZ-UHFFFAOYSA-N 1 0 369.421 2.665 20 5 FFBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000535695188 516452101 /nfs/dbraw/zinc/45/21/01/516452101.db2.gz ZYHOSYGISKLYON-AWEZNQCLSA-N 1 0 356.426 2.880 20 5 FFBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000531427057 516458832 /nfs/dbraw/zinc/45/88/32/516458832.db2.gz IZSBLQISTHMBRC-LLVKDONJSA-N 1 0 370.247 2.817 20 5 FFBDRO CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+]Cc2csc([N+](=O)[O-])c2)s1 ZINC000513068956 516461485 /nfs/dbraw/zinc/46/14/85/516461485.db2.gz LVOKVRQINKLPEJ-BDAKNGLRSA-N 1 0 369.472 2.823 20 5 FFBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000523595142 516516027 /nfs/dbraw/zinc/51/60/27/516516027.db2.gz SUXLISMTCMHKBB-BZUAXINKSA-N 1 0 362.474 2.803 20 5 FFBDRO C[C@@H]1CN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C[C@H](C)[N@H+]1C ZINC000513204143 516520926 /nfs/dbraw/zinc/52/09/26/516520926.db2.gz OOSCLQBVIOVAJD-TXEJJXNPSA-N 1 0 355.822 2.568 20 5 FFBDRO CC1CCC([NH+]2CCN(C(=O)COc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000523713274 516556604 /nfs/dbraw/zinc/55/66/04/516556604.db2.gz YLWIOCMFDZNKON-UHFFFAOYSA-N 1 0 361.442 2.697 20 5 FFBDRO CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000547799410 516570491 /nfs/dbraw/zinc/57/04/91/516570491.db2.gz ZDQRYPLGPMFSEF-INIZCTEOSA-N 1 0 371.441 2.727 20 5 FFBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@@H](c2nccn2C)C1 ZINC000536068647 516617025 /nfs/dbraw/zinc/61/70/25/516617025.db2.gz JUBXDXLFSWZBIR-GXTWGEPZSA-N 1 0 368.397 2.929 20 5 FFBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000554834177 516656075 /nfs/dbraw/zinc/65/60/75/516656075.db2.gz DGCZSKSVAXYRIR-UHFFFAOYSA-N 1 0 372.812 2.931 20 5 FFBDRO CC(C)C[C@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])[NH2+][C@H](C)c1ccccc1 ZINC000554857297 516666904 /nfs/dbraw/zinc/66/69/04/516666904.db2.gz MCKWPKFXNYWKGP-UKRRQHHQSA-N 1 0 359.430 2.813 20 5 FFBDRO COc1ccc(C[NH+](C)C)cc1NC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000524313718 516692675 /nfs/dbraw/zinc/69/26/75/516692675.db2.gz HGQOEVCPMFRFBQ-UHFFFAOYSA-N 1 0 373.409 2.855 20 5 FFBDRO C[C@@H](O)C[N@@H+]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[C@@H](C)C1 ZINC000551583043 516772604 /nfs/dbraw/zinc/77/26/04/516772604.db2.gz JEKBYPQWYZFOPG-LSDHHAIUSA-N 1 0 359.426 2.742 20 5 FFBDRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000548116694 516773463 /nfs/dbraw/zinc/77/34/63/516773463.db2.gz TZKIGTSUBSMVJP-LBPRGKRZSA-N 1 0 361.229 2.653 20 5 FFBDRO COC[C@](C)(CC(=O)OC)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000544599081 516831229 /nfs/dbraw/zinc/83/12/29/516831229.db2.gz SHXPKVFLRWANAQ-SFHVURJKSA-N 1 0 362.382 2.913 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000544655998 516858161 /nfs/dbraw/zinc/85/81/61/516858161.db2.gz VGEJWRDABHVNSO-ZFWWWQNUSA-N 1 0 369.487 2.705 20 5 FFBDRO COC(=O)c1ccccc1OCC[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000558742083 516924517 /nfs/dbraw/zinc/92/45/17/516924517.db2.gz WGVXQMJQQUIBQN-UHFFFAOYSA-N 1 0 358.394 2.935 20 5 FFBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCC1CCS(=O)(=O)CC1)C1CC1 ZINC000536838896 516952456 /nfs/dbraw/zinc/95/24/56/516952456.db2.gz LKKRZHBODZRLPI-QGZVFWFLSA-N 1 0 366.483 2.720 20 5 FFBDRO O=C1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CN1[C@H]1C[C@@H]1c1ccccc1 ZINC000525195351 516956688 /nfs/dbraw/zinc/95/66/88/516956688.db2.gz IQNOHZRLWLRMRW-UHOSZYNNSA-N 1 0 351.406 2.841 20 5 FFBDRO CS[C@@H]1CN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C[C@@H]1[NH+]1CCCC1 ZINC000548517013 517029894 /nfs/dbraw/zinc/02/98/94/517029894.db2.gz YRQXZMIMYFTEDV-JKSUJKDBSA-N 1 0 374.466 2.728 20 5 FFBDRO Cn1nccc1-c1ccccc1CN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000552042445 517047990 /nfs/dbraw/zinc/04/79/90/517047990.db2.gz GCPIGVRFDMDRDN-UHFFFAOYSA-N 1 0 351.410 2.961 20 5 FFBDRO CNC(=O)COc1cccc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000552086562 517071847 /nfs/dbraw/zinc/07/18/47/517071847.db2.gz KBACJVYBESKARJ-CQSZACIVSA-N 1 0 357.410 2.879 20 5 FFBDRO COC(=O)CC1([NH2+]CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CCCCC1 ZINC000532723901 517115361 /nfs/dbraw/zinc/11/53/61/517115361.db2.gz GXNSOANNNYKJOA-UHFFFAOYSA-N 1 0 363.414 2.697 20 5 FFBDRO CC[C@@H]([NH2+]C[C@H](N1CCOCC1)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000514956322 517143010 /nfs/dbraw/zinc/14/30/10/517143010.db2.gz CNGLEFLHOZKMST-CABCVRRESA-N 1 0 361.364 2.899 20 5 FFBDRO Cn1ccnc1[C@@H](NCC1CC[NH+](C2CC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000552262316 517167794 /nfs/dbraw/zinc/16/77/94/517167794.db2.gz QCBCYCSKNZYTOM-IBGZPJMESA-N 1 0 369.469 2.882 20 5 FFBDRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)Cc1ccccc1 ZINC000515035439 517181516 /nfs/dbraw/zinc/18/15/16/517181516.db2.gz NRIKLUOWSROQFO-MRXNPFEDSA-N 1 0 358.442 2.616 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](c1cccnc1)C1CC1 ZINC000525834940 517191533 /nfs/dbraw/zinc/19/15/33/517191533.db2.gz JCHGRVPRXBUOQB-SFHVURJKSA-N 1 0 356.382 2.678 20 5 FFBDRO C[C@@H](Cc1ccsc1)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000541740810 517194328 /nfs/dbraw/zinc/19/43/28/517194328.db2.gz RDFHUTINIDMSDM-LBPRGKRZSA-N 1 0 354.453 2.651 20 5 FFBDRO COc1cc(C[C@H](CO)C[NH2+]Cc2ccc([N+](=O)[O-])cc2C)cc(OC)c1 ZINC000541776021 517211564 /nfs/dbraw/zinc/21/15/64/517211564.db2.gz HGQHTVDDNOMANP-INIZCTEOSA-N 1 0 374.437 2.861 20 5 FFBDRO COc1cccc(CC[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])c1OC ZINC000548826069 517238728 /nfs/dbraw/zinc/23/87/28/517238728.db2.gz IYYZFICOJLWXGQ-UHFFFAOYSA-N 1 0 373.409 2.773 20 5 FFBDRO CC(C)(C)[N@@H+]1CCCN(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000556133957 517282689 /nfs/dbraw/zinc/28/26/89/517282689.db2.gz HHBJHTVOZLXFKC-UHFFFAOYSA-N 1 0 361.442 2.891 20 5 FFBDRO C[C@H]1CC[N@H+](C)CCN1C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000556187825 517308769 /nfs/dbraw/zinc/30/87/69/517308769.db2.gz RKEJYJQMXNSDGE-JTQLQIEISA-N 1 0 358.345 2.754 20 5 FFBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000559570116 517319066 /nfs/dbraw/zinc/31/90/66/517319066.db2.gz QCJVXMLENBYCHJ-NSHDSACASA-N 1 0 370.247 2.737 20 5 FFBDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000520254721 517320948 /nfs/dbraw/zinc/32/09/48/517320948.db2.gz LKQODJOSSFNDBG-HUUCEWRRSA-N 1 0 364.446 2.536 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCC[N@@H+](C)C2CCCCC2)cc1C ZINC000520268196 517324570 /nfs/dbraw/zinc/32/45/70/517324570.db2.gz APCVRZIWMHUGTE-UHFFFAOYSA-N 1 0 369.487 2.754 20 5 FFBDRO CCCc1n[nH]c(C(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000520303996 517337340 /nfs/dbraw/zinc/33/73/40/517337340.db2.gz RTWYVGSWVBHTPV-OAHLLOKOSA-N 1 0 359.430 2.612 20 5 FFBDRO COc1ccc(NC(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000542030231 517346658 /nfs/dbraw/zinc/34/66/58/517346658.db2.gz RGKFLFWBTVVKQR-STQMWFEESA-N 1 0 350.419 2.988 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CCOc2cccc(Cl)c2)c1 ZINC000515466959 517362780 /nfs/dbraw/zinc/36/27/80/517362780.db2.gz HOFJXOQSPYYQRJ-OAHLLOKOSA-N 1 0 366.801 2.657 20 5 FFBDRO CSC1(CNC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC[NH+](C)CC1 ZINC000520664845 517473194 /nfs/dbraw/zinc/47/31/94/517473194.db2.gz BDQRWOHPPHKJDL-UHFFFAOYSA-N 1 0 352.460 2.852 20 5 FFBDRO C[C@@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1c(F)cccc1F ZINC000538127568 517474317 /nfs/dbraw/zinc/47/43/17/517474317.db2.gz NWFUBVJVUANKPX-DGCLKSJQSA-N 1 0 352.337 2.964 20 5 FFBDRO CC(=O)[C@@H](Cc1ccccc1)NC(=O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000538174687 517493763 /nfs/dbraw/zinc/49/37/63/517493763.db2.gz KVDBZTVETYXGLE-AUUYWEPGSA-N 1 0 369.421 2.562 20 5 FFBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)COc2ccc3c(c2)OCO3)cc1[N+](=O)[O-] ZINC000538277660 517536231 /nfs/dbraw/zinc/53/62/31/517536231.db2.gz WSRRWRFYNKVHRX-UKRRQHHQSA-N 1 0 374.393 2.722 20 5 FFBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000520898536 517545525 /nfs/dbraw/zinc/54/55/25/517545525.db2.gz CAHKXFJFQOFKJT-KGLIPLIRSA-N 1 0 369.487 2.698 20 5 FFBDRO CCCc1n[nH]c(C(=O)N(CCC)CC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000553152356 517545595 /nfs/dbraw/zinc/54/55/95/517545595.db2.gz MOXDZSDOVCUWBD-UHFFFAOYSA-N 1 0 351.451 2.609 20 5 FFBDRO CC[NH2+]Cc1ccccc1NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000562973558 517546434 /nfs/dbraw/zinc/54/64/34/517546434.db2.gz KOUDAVLEVRDAGK-UHFFFAOYSA-N 1 0 357.366 2.728 20 5 FFBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3cc(-n4ccnc4)cs3)C2)nc1 ZINC000542466686 517581982 /nfs/dbraw/zinc/58/19/82/517581982.db2.gz QIBUAGYWNZXSDF-ZDUSSCGKSA-N 1 0 370.438 2.923 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N3CC[C@@H]4C[NH2+]C[C@H]4C3)cc2[N+](=O)[O-])C1 ZINC000556705688 517587251 /nfs/dbraw/zinc/58/72/51/517587251.db2.gz JWYJIKLEAYTFBU-OIISXLGYSA-N 1 0 372.469 2.513 20 5 FFBDRO CC[N@H+](CCOC)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000521119815 517620550 /nfs/dbraw/zinc/62/05/50/517620550.db2.gz YYEWEDWUWNXPTD-UHFFFAOYSA-N 1 0 364.183 2.668 20 5 FFBDRO [NH3+]C[C@@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)C1CCCCC1 ZINC000516292976 517651457 /nfs/dbraw/zinc/65/14/57/517651457.db2.gz QKCDZPSCUXAZTA-QGZVFWFLSA-N 1 0 374.485 2.835 20 5 FFBDRO CC1CC[NH+](CCCCNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000516327979 517662473 /nfs/dbraw/zinc/66/24/73/517662473.db2.gz OVBYLABDGJTYDM-UHFFFAOYSA-N 1 0 352.410 2.558 20 5 FFBDRO Cn1cc([N+](=O)[O-])cc1-c1nc(-c2cccc(OCC[NH+](C)C)c2)no1 ZINC000546402338 517666219 /nfs/dbraw/zinc/66/62/19/517666219.db2.gz MJMKOGPGKXUHNH-UHFFFAOYSA-N 1 0 357.370 2.591 20 5 FFBDRO CCC(CC)[C@H](CNS(=O)(=O)c1c(C)cccc1[N+](=O)[O-])[NH+](C)C ZINC000527385326 517671700 /nfs/dbraw/zinc/67/17/00/517671700.db2.gz GXSQWPLTPDBONG-HNNXBMFYSA-N 1 0 357.476 2.548 20 5 FFBDRO COc1ccc(-c2ccc(C[NH2+][C@@H]3CC(=O)N(C4CC4)C3)o2)c([N+](=O)[O-])c1 ZINC000538604032 517684965 /nfs/dbraw/zinc/68/49/65/517684965.db2.gz HTTODXHOZCDKQY-GFCCVEGCSA-N 1 0 371.393 2.716 20 5 FFBDRO CCc1[nH]nc(C(=O)Nc2cccc(CC[N@H+](C)C3CC3)c2)c1[N+](=O)[O-] ZINC000553424257 517707092 /nfs/dbraw/zinc/70/70/92/517707092.db2.gz TXAQORIUMDVSTN-UHFFFAOYSA-N 1 0 357.414 2.769 20 5 FFBDRO CNc1ccc(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000534020778 517709528 /nfs/dbraw/zinc/70/95/28/517709528.db2.gz SSKZULORQKJTJW-FUHWJXTLSA-N 1 0 354.410 2.812 20 5 FFBDRO C[C@@H]1CCCC[N@@H+]1CCN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000556874433 517721023 /nfs/dbraw/zinc/72/10/23/517721023.db2.gz JUNQNMJRQSMPFS-QAPCUYQASA-N 1 0 357.458 2.882 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000549813502 517723199 /nfs/dbraw/zinc/72/31/99/517723199.db2.gz OZIGVOJUDQLXLP-HUUCEWRRSA-N 1 0 360.385 2.963 20 5 FFBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000538709845 517739608 /nfs/dbraw/zinc/73/96/08/517739608.db2.gz XCCNTKKZBXZYOZ-CYBMUJFWSA-N 1 0 368.865 2.820 20 5 FFBDRO CCCN(CC[NH+](CC)CC)C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000546599133 517747857 /nfs/dbraw/zinc/74/78/57/517747857.db2.gz CEHUIALSJOGZHN-UHFFFAOYSA-N 1 0 365.430 2.560 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@@H](N1CCOCC1)C(F)(F)F)CCC2 ZINC000556920125 517749010 /nfs/dbraw/zinc/74/90/10/517749010.db2.gz DWULLCMTIVWNQI-JKSUJKDBSA-N 1 0 373.375 2.825 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@H](N1CCOCC1)C(F)(F)F)CCC2 ZINC000556920121 517749265 /nfs/dbraw/zinc/74/92/65/517749265.db2.gz DWULLCMTIVWNQI-HOTGVXAUSA-N 1 0 373.375 2.825 20 5 FFBDRO C[N@H+](Cc1ccccc1)C1CN(C(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000553510882 517755132 /nfs/dbraw/zinc/75/51/32/517755132.db2.gz LVWINVKHUDYBKW-UHFFFAOYSA-N 1 0 369.421 2.707 20 5 FFBDRO CCCN(CC[NH+]1CCCC1)c1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000553601881 517803529 /nfs/dbraw/zinc/80/35/29/517803529.db2.gz QXAPSKKNYLXGNI-UHFFFAOYSA-N 1 0 360.458 2.799 20 5 FFBDRO C[C@@H](CNC(=O)N(C)CCc1ccccc1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000553602759 517805304 /nfs/dbraw/zinc/80/53/04/517805304.db2.gz OKQBWKSTALCTCE-INIZCTEOSA-N 1 0 362.474 2.901 20 5 FFBDRO C[C@H]1CCC[N@H+](CCNC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000542921256 517816414 /nfs/dbraw/zinc/81/64/14/517816414.db2.gz ZNHLQSOUVSMXCS-NSHDSACASA-N 1 0 357.357 2.658 20 5 FFBDRO O=C(NCC(F)(F)F)C1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000534342243 517860834 /nfs/dbraw/zinc/86/08/34/517860834.db2.gz YCZLGONQFATWBW-HWKANZROSA-N 1 0 371.359 2.999 20 5 FFBDRO Cc1cc(N2CCN(CC(F)(F)F)C(=O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000553722431 517868426 /nfs/dbraw/zinc/86/84/26/517868426.db2.gz FCVHKSFQZGJSRL-UHFFFAOYSA-N 1 0 368.315 2.662 20 5 FFBDRO CCOc1ccc([C@H](C)[NH2+]CCC2CCS(=O)(=O)CC2)cc1[N+](=O)[O-] ZINC000539053024 517898264 /nfs/dbraw/zinc/89/82/64/517898264.db2.gz OIAYZOMRHNGLQX-ZDUSSCGKSA-N 1 0 370.471 2.859 20 5 FFBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000522045113 517963487 /nfs/dbraw/zinc/96/34/87/517963487.db2.gz PMAPAIDMNAEXOE-UHFFFAOYSA-N 1 0 362.455 2.637 20 5 FFBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000534690262 518002166 /nfs/dbraw/zinc/00/21/66/518002166.db2.gz FUWRNLVIYNKVEC-GOSISDBHSA-N 1 0 368.437 2.711 20 5 FFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H](O)CCc1ccccc1 ZINC000543393560 518066097 /nfs/dbraw/zinc/06/60/97/518066097.db2.gz JMYADRYMZOVRQT-DNVCBOLYSA-N 1 0 371.437 2.895 20 5 FFBDRO O=[N+]([O-])c1cccc2ncnc(N3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)c21 ZINC000543435060 518089050 /nfs/dbraw/zinc/08/90/50/518089050.db2.gz CTVYKKKYZQINBC-CJNGLKHVSA-N 1 0 353.426 2.991 20 5 FFBDRO COc1ccc(NC(=O)C[NH2+][C@H](c2cccnc2)C2CC2)c([N+](=O)[O-])c1 ZINC000543449923 518098536 /nfs/dbraw/zinc/09/85/36/518098536.db2.gz WDWIFFPYKADBNR-SFHVURJKSA-N 1 0 356.382 2.678 20 5 FFBDRO Cc1nn(CCC(=O)NCCCC[N@H+]2CCCC[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000522474509 518115337 /nfs/dbraw/zinc/11/53/37/518115337.db2.gz YQBYWRDWFBFJRP-CQSZACIVSA-N 1 0 365.478 2.569 20 5 FFBDRO CC(C)n1cc([C@H](C)[NH2+]CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cn1 ZINC000543502303 518119508 /nfs/dbraw/zinc/11/95/08/518119508.db2.gz QMONLGJXQHVYQM-ZDUSSCGKSA-N 1 0 357.414 2.612 20 5 FFBDRO Cc1n[nH]c(C(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000522528569 518121313 /nfs/dbraw/zinc/12/13/13/518121313.db2.gz FBEYMFZHUKORJF-ZDUSSCGKSA-N 1 0 357.414 2.582 20 5 FFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H](O)Cc1ccccc1 ZINC000569605448 518205927 /nfs/dbraw/zinc/20/59/27/518205927.db2.gz ZZKWEGJRJMOHQW-KBXCAEBGSA-N 1 0 357.410 2.505 20 5 FFBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000566863615 518238466 /nfs/dbraw/zinc/23/84/66/518238466.db2.gz DLMVDXJSMCCYEA-QGZVFWFLSA-N 1 0 369.421 2.612 20 5 FFBDRO C[C@@]1(NC(=O)Cc2cccc([N+](=O)[O-])c2)CC[N@H+](Cc2ccccc2)C1 ZINC000569725658 518260458 /nfs/dbraw/zinc/26/04/58/518260458.db2.gz CYYQUGNPKKSNIS-HXUWFJFHSA-N 1 0 353.422 2.918 20 5 FFBDRO CCOC(=O)c1ccnc(N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000581455831 518292776 /nfs/dbraw/zinc/29/27/76/518292776.db2.gz BJNYQAMCCALFRC-MGPQQGTHSA-N 1 0 364.446 2.945 20 5 FFBDRO O=C(CCN1CC[NH2+]C[C@H]1c1cccc(F)c1)Nc1ccccc1[N+](=O)[O-] ZINC000566974528 518292729 /nfs/dbraw/zinc/29/27/29/518292729.db2.gz YRUYUYBLFZTONH-SFHVURJKSA-N 1 0 372.400 2.709 20 5 FFBDRO CC[N@H+]1C[C@@H](C)N(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000584416157 518331546 /nfs/dbraw/zinc/33/15/46/518331546.db2.gz OZTYHYORNJXNDO-BETUJISGSA-N 1 0 369.849 2.958 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CCC1Cc2ccccc2C1 ZINC000581662285 518395978 /nfs/dbraw/zinc/39/59/78/518395978.db2.gz CXRYKZBHBCAIOP-GOSISDBHSA-N 1 0 356.422 2.729 20 5 FFBDRO Cn1c(C(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000576079158 518417642 /nfs/dbraw/zinc/41/76/42/518417642.db2.gz CIMFXBVEXDLLAI-QGZVFWFLSA-N 1 0 370.453 2.965 20 5 FFBDRO Cc1ccc(C)c(OC[C@H](O)C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1 ZINC000564444969 518455174 /nfs/dbraw/zinc/45/51/74/518455174.db2.gz YHDAMLFLUSPEEM-OAHLLOKOSA-N 1 0 370.409 2.617 20 5 FFBDRO COc1cc2c(cc1CN(CC[NH3+])c1ccccc1[N+](=O)[O-])O[C@@H](C)C2 ZINC000578975286 518462436 /nfs/dbraw/zinc/46/24/36/518462436.db2.gz MSVKZEPODMJEEF-ZDUSSCGKSA-N 1 0 357.410 2.892 20 5 FFBDRO CC(C)[C@H](O)C[NH+]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000578996838 518471987 /nfs/dbraw/zinc/47/19/87/518471987.db2.gz RBRQPMBZDORQIK-OAHLLOKOSA-N 1 0 361.364 2.753 20 5 FFBDRO C[NH+]1CCC2(CCCN2C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000584803301 518484245 /nfs/dbraw/zinc/48/42/45/518484245.db2.gz DDXKNNILQCEQGD-UHFFFAOYSA-N 1 0 353.369 2.502 20 5 FFBDRO Cc1cc(OCC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)ccc1[N+](=O)[O-] ZINC000579070720 518503488 /nfs/dbraw/zinc/50/34/88/518503488.db2.gz JNCGATMVDYGCTL-CVEARBPZSA-N 1 0 361.442 2.756 20 5 FFBDRO Cn1c2cc(NC[C@@H](c3ccccc3)[NH+](C)C)c([N+](=O)[O-])cc2n(C)c1=O ZINC000585702174 518566192 /nfs/dbraw/zinc/56/61/92/518566192.db2.gz VRPBYKSHEFSBFS-SFHVURJKSA-N 1 0 369.425 2.500 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]Cc2ccccc2OC(F)F)c1 ZINC000579209606 518574563 /nfs/dbraw/zinc/57/45/63/518574563.db2.gz SKFSIHCPLYEPLN-AWEZNQCLSA-N 1 0 368.336 2.726 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)cc1[N+](=O)[O-] ZINC000573289126 518593891 /nfs/dbraw/zinc/59/38/91/518593891.db2.gz QAZJGTXRMOIUBV-UIAACRFSSA-N 1 0 368.389 2.575 20 5 FFBDRO C[N@@H+]1CCO[C@@H]2CCN(c3ccc([N+](=O)[O-])c(-c4ccc(F)cc4)n3)C[C@@H]21 ZINC000585781917 518595652 /nfs/dbraw/zinc/59/56/52/518595652.db2.gz CXXAPYLQXGSABT-DLBZAZTESA-N 1 0 372.400 2.705 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CCCc2cccs2)cc1 ZINC000576457706 518601798 /nfs/dbraw/zinc/60/17/98/518601798.db2.gz QLAOOWYOHCDUOS-UHFFFAOYSA-N 1 0 354.453 2.652 20 5 FFBDRO Cn1cc(C(=O)N2CCC[C@@H]([NH+](C)C)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000579307550 518615992 /nfs/dbraw/zinc/61/59/92/518615992.db2.gz ULSQLBGFWVZRTM-OAHLLOKOSA-N 1 0 371.441 2.552 20 5 FFBDRO O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000579343066 518635804 /nfs/dbraw/zinc/63/58/04/518635804.db2.gz LGDVKENPDDGFDJ-HNNXBMFYSA-N 1 0 357.332 2.829 20 5 FFBDRO C[C@H]1CCCN(c2ccc(C(=O)NC[C@@]3(C)CCC[NH2+]C3)cc2[N+](=O)[O-])C1 ZINC000564836746 518642060 /nfs/dbraw/zinc/64/20/60/518642060.db2.gz IUIKVQVDDWGWDZ-YWZLYKJASA-N 1 0 374.485 2.951 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CCCC[C@H]2CC[NH3+])cc1SC ZINC000564839225 518644140 /nfs/dbraw/zinc/64/41/40/518644140.db2.gz FYTKQGDBIRPYPK-NSHDSACASA-N 1 0 353.444 2.669 20 5 FFBDRO CC1(C)CC[C@H](C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c2ccccc21 ZINC000564848680 518650449 /nfs/dbraw/zinc/65/04/49/518650449.db2.gz FJBHXENBFAXRPK-ZBFHGGJFSA-N 1 0 358.442 2.597 20 5 FFBDRO C[C@@H](C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)Oc1cccc(F)c1 ZINC000564854397 518656338 /nfs/dbraw/zinc/65/63/38/518656338.db2.gz LYZRRUYUSOORAK-XJKSGUPXSA-N 1 0 364.373 2.531 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000573442445 518667876 /nfs/dbraw/zinc/66/78/76/518667876.db2.gz IRTXDYIPUXFDPC-ZDUSSCGKSA-N 1 0 363.414 2.575 20 5 FFBDRO COC(=O)c1cc(C)nc(NCCC[N@H+](C)C2CCCCC2)c1[N+](=O)[O-] ZINC000587121308 518676215 /nfs/dbraw/zinc/67/62/15/518676215.db2.gz LIGKBCXKTVGIFQ-UHFFFAOYSA-N 1 0 364.446 2.573 20 5 FFBDRO O=C(CC[NH2+]CCCN1CCc2ccccc21)Nc1ccccc1[N+](=O)[O-] ZINC000579463568 518693636 /nfs/dbraw/zinc/69/36/36/518693636.db2.gz ZUMPVQRQXNHOAJ-UHFFFAOYSA-N 1 0 368.437 2.966 20 5 FFBDRO COc1cccc([N+](=O)[O-])c1NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000570653539 518713092 /nfs/dbraw/zinc/71/30/92/518713092.db2.gz ZALFDOCXMKLFSU-CVEARBPZSA-N 1 0 357.410 2.651 20 5 FFBDRO O=C1C[C@H](C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CN1C1CC1 ZINC000565098594 518784691 /nfs/dbraw/zinc/78/46/91/518784691.db2.gz MCBIQXPFRWGYDT-VKJFTORMSA-N 1 0 357.454 2.907 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](O)COc1ccc(C)cc1C ZINC000582542053 518803938 /nfs/dbraw/zinc/80/39/38/518803938.db2.gz XAQNUORMXWPHMP-KRWDZBQOSA-N 1 0 360.410 2.750 20 5 FFBDRO COc1ccc(CNC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000565183720 518830137 /nfs/dbraw/zinc/83/01/37/518830137.db2.gz XIGKNLNQYLFXIW-QGZVFWFLSA-N 1 0 369.421 2.742 20 5 FFBDRO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1cccc(-n2ccnn2)c1 ZINC000582743725 518899721 /nfs/dbraw/zinc/89/97/21/518899721.db2.gz PDXPSUJIUADIBT-CQSZACIVSA-N 1 0 353.382 2.905 20 5 FFBDRO CCC[C@H]1C[NH2+]CCN1C(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000571047525 518902867 /nfs/dbraw/zinc/90/28/67/518902867.db2.gz BREZUCBQEJYMAC-AAEUAGOBSA-N 1 0 355.822 2.616 20 5 FFBDRO CSC1(CNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC[NH+](C)CC1 ZINC000579897904 518904007 /nfs/dbraw/zinc/90/40/07/518904007.db2.gz OWPDUNDQASQCAA-UHFFFAOYSA-N 1 0 356.423 2.683 20 5 FFBDRO CCCN(C(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000565358096 518916165 /nfs/dbraw/zinc/91/61/65/518916165.db2.gz YRVAECPGEDEOHL-LLVKDONJSA-N 1 0 356.220 2.571 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)n1 ZINC000582853306 518953984 /nfs/dbraw/zinc/95/39/84/518953984.db2.gz XPYWFNXZHXMRGP-RWMBFGLXSA-N 1 0 350.419 2.555 20 5 FFBDRO COc1cccc(C(C)(C)C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000574033253 518956207 /nfs/dbraw/zinc/95/62/07/518956207.db2.gz KJKBYROINZBNMJ-INIZCTEOSA-N 1 0 374.437 2.911 20 5 FFBDRO CC(C)(C)NS(=O)(=O)CC[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000580052268 518981800 /nfs/dbraw/zinc/98/18/00/518981800.db2.gz YSASEHCOOQJFHW-INIZCTEOSA-N 1 0 369.487 2.670 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]C[C@@H](O)COc1ccccc1F ZINC000568383335 519013566 /nfs/dbraw/zinc/01/35/66/519013566.db2.gz BVLBSUMBHGGCQZ-CQSZACIVSA-N 1 0 368.792 2.959 20 5 FFBDRO O=[N+]([O-])c1ccccc1CC[NH2+]C[C@@H](O)COc1cccc2[nH]ccc21 ZINC000577387060 519055256 /nfs/dbraw/zinc/05/52/56/519055256.db2.gz ZYBZQPNZXZYKHR-OAHLLOKOSA-N 1 0 355.394 2.648 20 5 FFBDRO CC(C)[NH2+][C@@H]1CCCN(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000589679449 519061610 /nfs/dbraw/zinc/06/16/10/519061610.db2.gz BFNVBVBCKDRAEA-OAHLLOKOSA-N 1 0 373.457 2.791 20 5 FFBDRO CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000577578152 519146883 /nfs/dbraw/zinc/14/68/83/519146883.db2.gz XIPZSBRWXGJKGQ-MRXNPFEDSA-N 1 0 371.441 2.727 20 5 FFBDRO CCSc1cc(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])ccn1 ZINC000583377331 519216615 /nfs/dbraw/zinc/21/66/15/519216615.db2.gz PJZXBJHPZQJLTC-AWEZNQCLSA-N 1 0 363.439 2.631 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N3CC[C@@H]4C[N@H+](C)C[C@H]43)cc2[N+](=O)[O-])CC1 ZINC000590446587 519235858 /nfs/dbraw/zinc/23/58/58/519235858.db2.gz UWQQAOQUKZOFNY-VQIMIIECSA-N 1 0 372.469 2.607 20 5 FFBDRO Cc1ccnc([C@@H]2CC[N@H+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)C2)c1 ZINC000580656755 519288716 /nfs/dbraw/zinc/28/87/16/519288716.db2.gz FFVOGGAYXMPJKW-WBVHZDCISA-N 1 0 357.410 2.527 20 5 FFBDRO COc1cc(C(=O)N2CCC(C[N@H+](C)C(C)C)CC2)c([N+](=O)[O-])cc1F ZINC000590625439 519293499 /nfs/dbraw/zinc/29/34/99/519293499.db2.gz BEZPOTGJGUFLGF-UHFFFAOYSA-N 1 0 367.421 2.935 20 5 FFBDRO CO[C@@H](C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2)Cc1ccccc1 ZINC000590655536 519304165 /nfs/dbraw/zinc/30/41/65/519304165.db2.gz VHRYCNPYZDNYTL-MRXNPFEDSA-N 1 0 358.394 2.713 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2C[C@H]2c2ccc(F)cc2)cc1 ZINC000568992146 519320605 /nfs/dbraw/zinc/32/06/05/519320605.db2.gz XGIWGRNVRQAIBG-DLBZAZTESA-N 1 0 364.398 2.653 20 5 FFBDRO CC1(C)CN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CC[N@@H+]1CCO ZINC000590698678 519322511 /nfs/dbraw/zinc/32/25/11/519322511.db2.gz LMXGSFXXAMXSNQ-UHFFFAOYSA-N 1 0 362.455 2.611 20 5 FFBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000578030768 519381607 /nfs/dbraw/zinc/38/16/07/519381607.db2.gz PTXDBFLVOWLZIB-JTQLQIEISA-N 1 0 370.247 2.737 20 5 FFBDRO CC[C@H]1C[N@H+](C)CCN1C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000574967514 519428020 /nfs/dbraw/zinc/42/80/20/519428020.db2.gz MXGLFMKUKRYLNJ-AWEZNQCLSA-N 1 0 354.838 2.526 20 5 FFBDRO CC[NH+]1C[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2Br)[C@@H](C)C1 ZINC000569287120 519470511 /nfs/dbraw/zinc/47/05/11/519470511.db2.gz QFWDIYRGUUELCT-QWRGUYRKSA-N 1 0 370.247 2.912 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH2+]C[C@H]2c2ccccc2)c1 ZINC000578349930 519548947 /nfs/dbraw/zinc/54/89/47/519548947.db2.gz WDVFFWDYFVKBKU-SFHVURJKSA-N 1 0 355.394 2.780 20 5 FFBDRO O=[N+]([O-])c1cncc(Br)c1N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000591444710 519626563 /nfs/dbraw/zinc/62/65/63/519626563.db2.gz IPVYXVDEUVLGON-MNOVXSKESA-N 1 0 355.236 2.578 20 5 FFBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594418462 519954482 /nfs/dbraw/zinc/95/44/82/519954482.db2.gz JFHOKYFIEFUCNC-ROUUACIJSA-N 1 0 360.458 2.920 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1CCC2(CCSCC2)CC1 ZINC000602948596 519988685 /nfs/dbraw/zinc/98/86/85/519988685.db2.gz BCERHZISKNTKOB-OAHLLOKOSA-N 1 0 366.483 2.944 20 5 FFBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CC[NH2+]CC3(C)C)cc2[N+](=O)[O-])C1 ZINC000591677845 519994317 /nfs/dbraw/zinc/99/43/17/519994317.db2.gz HAKBLQVGFWMOQI-GASCZTMLSA-N 1 0 374.485 2.901 20 5 FFBDRO [NH3+][C@H]1CCC[C@@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000591685124 519998236 /nfs/dbraw/zinc/99/82/36/519998236.db2.gz XJDSQRDSELNENZ-PWSUYJOCSA-N 1 0 370.247 2.534 20 5 FFBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000612528997 520005327 /nfs/dbraw/zinc/00/53/27/520005327.db2.gz YKFHWQRAIJKLBZ-GHMZBOCLSA-N 1 0 357.332 2.970 20 5 FFBDRO CC[N@@H+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2CC2)C[C@@H]1C ZINC000597407061 520006258 /nfs/dbraw/zinc/00/62/58/520006258.db2.gz QVTXGDQGAAYCRF-AWEZNQCLSA-N 1 0 370.457 2.794 20 5 FFBDRO CC(C)[NH+]1CCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2CC2CC2)CC1 ZINC000597409831 520010225 /nfs/dbraw/zinc/01/02/25/520010225.db2.gz TXMSSBHMJAPVGQ-UHFFFAOYSA-N 1 0 370.457 2.794 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](O)[C@H]2CCCC[C@@H]21 ZINC000602997444 520012868 /nfs/dbraw/zinc/01/28/68/520012868.db2.gz JXRUGUZBSPVZQT-SZMVWBNQSA-N 1 0 361.442 2.857 20 5 FFBDRO O=C(N[C@@H]1CC12CC[NH2+]CC2)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000597441199 520031499 /nfs/dbraw/zinc/03/14/99/520031499.db2.gz QGTVJWYRQHJPGZ-DOTOQJQBSA-N 1 0 358.442 2.626 20 5 FFBDRO COc1cccc([N+](=O)[O-])c1N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000594575567 520036369 /nfs/dbraw/zinc/03/63/69/520036369.db2.gz KMEQARLHSVAUNL-HXUWFJFHSA-N 1 0 371.437 2.677 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CC[NH2+]C2(CCCCC2)C1 ZINC000594628981 520061653 /nfs/dbraw/zinc/06/16/53/520061653.db2.gz SOBRVYDLBJUOLP-UHFFFAOYSA-N 1 0 354.410 2.891 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCC(CC[NH+](C)C)CC2)c1 ZINC000612634138 520062344 /nfs/dbraw/zinc/06/23/44/520062344.db2.gz HGTOLKVUBCCBDE-UHFFFAOYSA-N 1 0 369.487 2.564 20 5 FFBDRO COc1cc(C[NH2+]CCN2CCCc3ccccc32)c([N+](=O)[O-])cc1O ZINC000608782112 520126626 /nfs/dbraw/zinc/12/66/26/520126626.db2.gz OBEIKSCZRUPCTM-UHFFFAOYSA-N 1 0 357.410 2.851 20 5 FFBDRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000597604755 520130836 /nfs/dbraw/zinc/13/08/36/520130836.db2.gz KFIKXRAZOPWMJQ-CYBMUJFWSA-N 1 0 370.247 2.914 20 5 FFBDRO CN(CC(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000600229083 520139872 /nfs/dbraw/zinc/13/98/72/520139872.db2.gz OPKRSBYJJYMMPS-MRXNPFEDSA-N 1 0 360.458 2.554 20 5 FFBDRO C[NH+]1CCC2(CCN(C(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)C2)CC1 ZINC000597665950 520166308 /nfs/dbraw/zinc/16/63/08/520166308.db2.gz IBCRLRGGDDPOAW-UHFFFAOYSA-N 1 0 363.433 2.956 20 5 FFBDRO O=C([C@H]1CCc2nc[nH]c2C1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000597723652 520197424 /nfs/dbraw/zinc/19/74/24/520197424.db2.gz MDJIZNAOWZUZBK-LSDHHAIUSA-N 1 0 354.410 2.829 20 5 FFBDRO COc1cc(C[NH2+][C@H]2COc3cc(F)ccc3C2)c([N+](=O)[O-])cc1OC ZINC000594976990 520238262 /nfs/dbraw/zinc/23/82/62/520238262.db2.gz IMPFANWMJIOLDL-CQSZACIVSA-N 1 0 362.357 2.844 20 5 FFBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+][C@@H]1COc3cc(F)ccc3C1)OCCO2 ZINC000594978822 520240979 /nfs/dbraw/zinc/24/09/79/520240979.db2.gz WVDYYQOFMZYMFQ-AWEZNQCLSA-N 1 0 360.341 2.598 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)NCC1([NH+]2CCCC2)CCOCC1 ZINC000595012861 520256365 /nfs/dbraw/zinc/25/63/65/520256365.db2.gz PJDILMGHFUKASL-HNNXBMFYSA-N 1 0 363.458 2.899 20 5 FFBDRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(C)(C)C(F)F ZINC000595030780 520262502 /nfs/dbraw/zinc/26/25/02/520262502.db2.gz ASXRGCSWAWWBQV-SNVBAGLBSA-N 1 0 350.387 2.638 20 5 FFBDRO Cn1ccnc1[C@@H](N[C@H]1CC[N@@H+](C(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000595056502 520272273 /nfs/dbraw/zinc/27/22/73/520272273.db2.gz KAFKUOFDGUBJCL-RDJZCZTQSA-N 1 0 357.458 2.880 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000597853496 520282351 /nfs/dbraw/zinc/28/23/51/520282351.db2.gz BDVOGGDRINHQKZ-AWEZNQCLSA-N 1 0 371.441 2.631 20 5 FFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCN1C[C@@H]2CCCCN2C1=O ZINC000595099275 520293330 /nfs/dbraw/zinc/29/33/30/520293330.db2.gz GLSOFESTGROJRW-RDJZCZTQSA-N 1 0 360.458 2.796 20 5 FFBDRO COc1ccccc1[C@@H]([NH3+])CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000592286713 520318267 /nfs/dbraw/zinc/31/82/67/520318267.db2.gz KABCAWGXLXRXKM-KRWDZBQOSA-N 1 0 372.425 2.612 20 5 FFBDRO Cc1ccccc1C[N@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000603612274 520328171 /nfs/dbraw/zinc/32/81/71/520328171.db2.gz ZDMKBJLIYVQGJN-UHFFFAOYSA-N 1 0 356.426 2.590 20 5 FFBDRO COc1ccc(CC(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000609506094 520337181 /nfs/dbraw/zinc/33/71/81/520337181.db2.gz CHDQDYDJJSWXSD-OAHLLOKOSA-N 1 0 371.437 2.783 20 5 FFBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000595222502 520358106 /nfs/dbraw/zinc/35/81/06/520358106.db2.gz KDCSNZTVKHLZQJ-QGZVFWFLSA-N 1 0 370.453 2.788 20 5 FFBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000595225271 520359147 /nfs/dbraw/zinc/35/91/47/520359147.db2.gz LYJKKSMPMSOUQZ-QFBILLFUSA-N 1 0 370.453 2.930 20 5 FFBDRO O=C(NCCc1ccccc1[N+](=O)[O-])Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000595234509 520364841 /nfs/dbraw/zinc/36/48/41/520364841.db2.gz JSAXVCDQGXHREI-SFHVURJKSA-N 1 0 370.409 2.620 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c1 ZINC000595256343 520374511 /nfs/dbraw/zinc/37/45/11/520374511.db2.gz NHROTGGUOZUCFW-NVXWUHKLSA-N 1 0 357.385 2.918 20 5 FFBDRO Cc1cc(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)cc([N+](=O)[O-])c1 ZINC000595255789 520375383 /nfs/dbraw/zinc/37/53/83/520375383.db2.gz FLVYJDCNTOENBT-QZTJIDSGSA-N 1 0 357.385 2.918 20 5 FFBDRO Cc1c(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)cccc1[N+](=O)[O-] ZINC000595269316 520379753 /nfs/dbraw/zinc/37/97/53/520379753.db2.gz NKYDCFRXGVQZJG-IAGOWNOFSA-N 1 0 357.385 2.918 20 5 FFBDRO Cc1cc(S(=O)(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000609673408 520403456 /nfs/dbraw/zinc/40/34/56/520403456.db2.gz GVPOVVXVGKLYMF-ZIAGYGMSSA-N 1 0 369.487 2.550 20 5 FFBDRO C[NH+](C)CC[C@H](NC(=O)NCCNc1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000609710158 520413181 /nfs/dbraw/zinc/41/31/81/520413181.db2.gz VFBVCONMIPZHDB-INIZCTEOSA-N 1 0 365.478 2.672 20 5 FFBDRO COCC[N@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)C1CCCC1 ZINC000609766399 520425750 /nfs/dbraw/zinc/42/57/50/520425750.db2.gz HOFDZMPVUOJVGF-UHFFFAOYSA-N 1 0 363.414 2.784 20 5 FFBDRO CCOc1ccc(C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000592554596 520454461 /nfs/dbraw/zinc/45/44/61/520454461.db2.gz IQOUYINBTKOARY-CVEARBPZSA-N 1 0 361.442 2.845 20 5 FFBDRO O=[N+]([O-])c1ccc2ncnc(N3CC[NH+](CCc4ccccc4)CC3)c2c1 ZINC000609849933 520457632 /nfs/dbraw/zinc/45/76/32/520457632.db2.gz ZJANSUMVCGWIAB-UHFFFAOYSA-N 1 0 363.421 2.903 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000592571394 520459331 /nfs/dbraw/zinc/45/93/31/520459331.db2.gz ZDZHOZZKTWPUHX-IAQYHMDHSA-N 1 0 367.833 2.806 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H]3COCCN3)o2)c(Cl)c1 ZINC000600777629 520462404 /nfs/dbraw/zinc/46/24/04/520462404.db2.gz VNGQIABLTOZGIC-NSHDSACASA-N 1 0 351.790 2.586 20 5 FFBDRO Cc1cc(NC(=O)c2ccc([N+](=O)[O-])[nH]2)ccc1OCC[NH+]1CCCC1 ZINC000609887126 520469303 /nfs/dbraw/zinc/46/93/03/520469303.db2.gz SIKPYOWBZOBXHH-UHFFFAOYSA-N 1 0 358.398 2.958 20 5 FFBDRO CCOCCC[N@@H+]1CC[C@@H](NCc2ccc(F)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000595439689 520471610 /nfs/dbraw/zinc/47/16/10/520471610.db2.gz KCMCNHWRIFMGTP-RHSMWYFYSA-N 1 0 353.438 2.961 20 5 FFBDRO CCOCCC[N@@H+]1CC[C@H](NCc2ccc(F)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000595439688 520472027 /nfs/dbraw/zinc/47/20/27/520472027.db2.gz KCMCNHWRIFMGTP-PBHICJAKSA-N 1 0 353.438 2.961 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H](CO)[C@H](C)c1ccccc1 ZINC000613389280 520479479 /nfs/dbraw/zinc/47/94/79/520479479.db2.gz HTXWLXUNUSOCSJ-ZBFHGGJFSA-N 1 0 357.410 2.596 20 5 FFBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[N@H+](Cc3ccccc3)CC[C@@H]2C)n1 ZINC000617408085 520480199 /nfs/dbraw/zinc/48/01/99/520480199.db2.gz ZAKFFWFAPVCHIR-HNNXBMFYSA-N 1 0 371.441 2.548 20 5 FFBDRO C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000598195847 520486776 /nfs/dbraw/zinc/48/67/76/520486776.db2.gz UPDPVYQBEMYTOM-QGZVFWFLSA-N 1 0 353.422 2.984 20 5 FFBDRO C[NH2+]C1(CNC(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)CCC1 ZINC000600824803 520489347 /nfs/dbraw/zinc/48/93/47/520489347.db2.gz QBTGXSXYDAQDRD-AWEZNQCLSA-N 1 0 360.458 2.703 20 5 FFBDRO C[NH2+]C1(CNC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)CCC1 ZINC000600825321 520491122 /nfs/dbraw/zinc/49/11/22/520491122.db2.gz RVFFYRPUGQJXLR-UHFFFAOYSA-N 1 0 356.220 2.538 20 5 FFBDRO O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000598220478 520501334 /nfs/dbraw/zinc/50/13/34/520501334.db2.gz PSRPJZQBFHDQMI-GFCCVEGCSA-N 1 0 357.414 2.608 20 5 FFBDRO C[C@H](CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)[NH+]1CCC(C)CC1 ZINC000604472090 520569566 /nfs/dbraw/zinc/56/95/66/520569566.db2.gz AGQHAOIZLWVDBQ-OAHLLOKOSA-N 1 0 371.441 2.631 20 5 FFBDRO O=C(Nc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000604539176 520593634 /nfs/dbraw/zinc/59/36/34/520593634.db2.gz RQXOVNBAMHVLIR-UHFFFAOYSA-N 1 0 355.394 2.804 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000592880352 520631003 /nfs/dbraw/zinc/63/10/03/520631003.db2.gz HCGGRBROGJUCLL-QAPCUYQASA-N 1 0 369.421 2.679 20 5 FFBDRO CCOc1cc(C[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)ccc1OC ZINC000601148638 520659002 /nfs/dbraw/zinc/65/90/02/520659002.db2.gz GBENJDMEYANQJJ-IBGZPJMESA-N 1 0 360.410 2.999 20 5 FFBDRO C[C@H](NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000610422074 520675591 /nfs/dbraw/zinc/67/55/91/520675591.db2.gz UQBGJHKCKVKUQR-OXJNMPFZSA-N 1 0 355.438 2.882 20 5 FFBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2c(F)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC000601183151 520675679 /nfs/dbraw/zinc/67/56/79/520675679.db2.gz AGGBSJPQMMNTLM-UKRRQHHQSA-N 1 0 367.421 2.601 20 5 FFBDRO Cc1ccc(C(=O)N2CC3(CCCC3)OC[C@H]2C[NH+](C)C)cc1[N+](=O)[O-] ZINC000598536236 520687153 /nfs/dbraw/zinc/68/71/53/520687153.db2.gz PMDHHKFUPIMGAB-MRXNPFEDSA-N 1 0 361.442 2.619 20 5 FFBDRO CC[C@@H]1CN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H](C)[NH2+]1 ZINC000598536571 520687551 /nfs/dbraw/zinc/68/75/51/520687551.db2.gz SLJKOBHWZHDYRQ-WCQYABFASA-N 1 0 360.439 2.931 20 5 FFBDRO CC[C@@H]1CN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@H](C)[NH2+]1 ZINC000598535319 520687648 /nfs/dbraw/zinc/68/76/48/520687648.db2.gz AYZYVIHDWMNIRV-WCQYABFASA-N 1 0 360.439 2.931 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H](CCO)C2CCCCC2)c1 ZINC000593019327 520688251 /nfs/dbraw/zinc/68/82/51/520688251.db2.gz AKUAEQRNPNBZME-INIZCTEOSA-N 1 0 350.415 2.802 20 5 FFBDRO O=C(CCOc1ccccc1[N+](=O)[O-])NCC1CC[NH+](CC2CC2)CC1 ZINC000598537444 520689424 /nfs/dbraw/zinc/68/94/24/520689424.db2.gz DZJPMRZGZGDULY-UHFFFAOYSA-N 1 0 361.442 2.602 20 5 FFBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NCC1CC[NH+](CC2CC2)CC1 ZINC000598541898 520691072 /nfs/dbraw/zinc/69/10/72/520691072.db2.gz OLDQPXCNQPMADC-UHFFFAOYSA-N 1 0 370.453 2.788 20 5 FFBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000598561396 520706980 /nfs/dbraw/zinc/70/69/80/520706980.db2.gz QLPNDVMVEIXGPN-INIZCTEOSA-N 1 0 370.453 2.788 20 5 FFBDRO COc1ccc(OCC[NH2+][C@H]2CCC[C@H]2Cc2cnn(C)c2)c([N+](=O)[O-])c1 ZINC000595768217 520710742 /nfs/dbraw/zinc/71/07/42/520710742.db2.gz FSSKXLTVUGNVBS-RDJZCZTQSA-N 1 0 374.441 2.717 20 5 FFBDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1Cc1cnn(C)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000595772462 520712979 /nfs/dbraw/zinc/71/29/79/520712979.db2.gz TWFVUIWVYGAMBF-JCKWVBRZSA-N 1 0 371.441 2.656 20 5 FFBDRO COc1cc(C[NH2+][C@@H]2CCC[C@@H]2Cc2cnn(C)c2)c([N+](=O)[O-])cc1F ZINC000595774018 520714899 /nfs/dbraw/zinc/71/48/99/520714899.db2.gz ZDLLPEUQIHXBON-CZUORRHYSA-N 1 0 362.405 2.977 20 5 FFBDRO O=C(C[N@@H+]1CCC[C@H]([C@H]2CCCCO2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000595789781 520727971 /nfs/dbraw/zinc/72/79/71/520727971.db2.gz OHLNPJXXKVBKFV-QFBILLFUSA-N 1 0 373.453 2.765 20 5 FFBDRO COC(=O)c1ccnc(NC[C@H](C)[N@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000598595252 520731774 /nfs/dbraw/zinc/73/17/74/520731774.db2.gz HGYSOLPWSYFZIK-ZDUSSCGKSA-N 1 0 358.398 2.709 20 5 FFBDRO CCC[N@@H+]1CC[C@@H](NC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000595801029 520735065 /nfs/dbraw/zinc/73/50/65/520735065.db2.gz VPZARTFIKBNQEY-IAGOWNOFSA-N 1 0 360.458 2.968 20 5 FFBDRO Cc1ccc(S(=O)(=O)NCCCCC[NH+]2CCCC2)c(C)c1[N+](=O)[O-] ZINC000598610474 520742594 /nfs/dbraw/zinc/74/25/94/520742594.db2.gz GHVGBPXHTSWECG-UHFFFAOYSA-N 1 0 369.487 2.756 20 5 FFBDRO Cc1ccc(S(=O)(=O)N(C)C(C)(C)C[NH+]2CCCC2)c(C)c1[N+](=O)[O-] ZINC000598617294 520745099 /nfs/dbraw/zinc/74/50/99/520745099.db2.gz GMQWNSMWHJCCFA-UHFFFAOYSA-N 1 0 369.487 2.707 20 5 FFBDRO COC(=O)c1ccnc(N[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)c1[N+](=O)[O-] ZINC000598627701 520751305 /nfs/dbraw/zinc/75/13/05/520751305.db2.gz XQUMAXHIDPYDHV-BBRMVZONSA-N 1 0 370.409 2.851 20 5 FFBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000595864299 520776985 /nfs/dbraw/zinc/77/69/85/520776985.db2.gz SEQNYZGNVSXFJL-OAHLLOKOSA-N 1 0 373.375 2.645 20 5 FFBDRO COc1cc(C[N@@H+]2C[C@@H](C)[C@](C)(CO)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000595875153 520782494 /nfs/dbraw/zinc/78/24/94/520782494.db2.gz PUUKXAOPVDVDSO-HWPZZCPQSA-N 1 0 360.357 2.655 20 5 FFBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601446711 520790704 /nfs/dbraw/zinc/79/07/04/520790704.db2.gz AQPFDIILWLMOTE-XJKSGUPXSA-N 1 0 357.385 2.984 20 5 FFBDRO COc1cc(C[N@@H+]2CC[C@@H](Nc3cccnc3[N+](=O)[O-])C2)cc(OC)c1 ZINC000610677926 520793652 /nfs/dbraw/zinc/79/36/52/520793652.db2.gz HYEALHORXLTWLO-CQSZACIVSA-N 1 0 358.398 2.693 20 5 FFBDRO COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000595897197 520802076 /nfs/dbraw/zinc/80/20/76/520802076.db2.gz BAPCPRLNCHAFIX-OSRSDYAFSA-N 1 0 371.393 2.927 20 5 FFBDRO [NH3+][C@H]1CCc2ccccc2N(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000595903691 520809737 /nfs/dbraw/zinc/80/97/37/520809737.db2.gz ANJFZBOSURULHC-ZDUSSCGKSA-N 1 0 374.828 2.967 20 5 FFBDRO CCOc1cc(CN2CCO[C@@H](CCC[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000595905262 520810762 /nfs/dbraw/zinc/81/07/62/520810762.db2.gz AVDSCNLDNUUNMI-INIZCTEOSA-N 1 0 351.447 2.536 20 5 FFBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000595907679 520813608 /nfs/dbraw/zinc/81/36/08/520813608.db2.gz CUNIGEZLBXIQDI-ZOCIIQOWSA-N 1 0 359.426 2.814 20 5 FFBDRO [NH3+]C[C@@H]1OCC[C@H]1C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000595943211 520834492 /nfs/dbraw/zinc/83/44/92/520834492.db2.gz HMMHIWPCLXDMKB-SJORKVTESA-N 1 0 357.366 2.689 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000601549753 520837050 /nfs/dbraw/zinc/83/70/50/520837050.db2.gz AVCFNRRVDWKDCW-OUCADQQQSA-N 1 0 367.833 2.616 20 5 FFBDRO C[NH2+]C[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(OC)cc1 ZINC000595983496 520844835 /nfs/dbraw/zinc/84/48/35/520844835.db2.gz PKAGDOYVCGCANM-LBPRGKRZSA-N 1 0 359.382 2.733 20 5 FFBDRO O=C(CC[NH2+]C[C@H]1CCN1Cc1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000596067865 520892401 /nfs/dbraw/zinc/89/24/01/520892401.db2.gz RCSIHKAXPZTZFO-QGZVFWFLSA-N 1 0 368.437 2.788 20 5 FFBDRO Cc1cc(NCCC[NH+]2CCC(O)CC2)c(Br)cc1[N+](=O)[O-] ZINC000596086582 520904170 /nfs/dbraw/zinc/90/41/70/520904170.db2.gz SESYEGZSZMDGKO-UHFFFAOYSA-N 1 0 372.263 2.924 20 5 FFBDRO C[C@H](c1ccc(F)cc1F)N1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596108246 520916671 /nfs/dbraw/zinc/91/66/71/520916671.db2.gz RKWRUJLITMDPNQ-LLVKDONJSA-N 1 0 364.352 2.857 20 5 FFBDRO O=c1[nH]ccc(N2CCC[N@H+](CCCc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000596108447 520917835 /nfs/dbraw/zinc/91/78/35/520917835.db2.gz CETREHZMPVHVMW-UHFFFAOYSA-N 1 0 356.426 2.840 20 5 FFBDRO C[C@@H](NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)C1CC[NH+](C)CC1 ZINC000610964207 520921509 /nfs/dbraw/zinc/92/15/09/520921509.db2.gz XUZMWGPHRRFSAY-CQSZACIVSA-N 1 0 360.458 2.999 20 5 FFBDRO C[C@@H]1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC[N@@H+]1Cc1ccccc1 ZINC000596144620 520936260 /nfs/dbraw/zinc/93/62/60/520936260.db2.gz MEJPZYZSYBAUTH-OAHLLOKOSA-N 1 0 368.437 2.795 20 5 FFBDRO CC(C)[NH+]1CCN(c2cccc(Nc3cc[nH]c(=O)c3[N+](=O)[O-])c2)CC1 ZINC000596178075 520954129 /nfs/dbraw/zinc/95/41/29/520954129.db2.gz FHDYJGOUYGTAMO-UHFFFAOYSA-N 1 0 357.414 2.969 20 5 FFBDRO CCC[N@H+](C)CC(C)(C)NC(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000596178582 520954550 /nfs/dbraw/zinc/95/45/50/520954550.db2.gz HUUJSIVOFSTACI-UHFFFAOYSA-N 1 0 352.435 2.523 20 5 FFBDRO CCC1([NH+](C)C)CCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC1 ZINC000601791945 520954857 /nfs/dbraw/zinc/95/48/57/520954857.db2.gz RPPGOYPQLDPAEU-UHFFFAOYSA-N 1 0 371.441 2.727 20 5 FFBDRO CN1CCOC[C@@H]1C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000599004211 520974052 /nfs/dbraw/zinc/97/40/52/520974052.db2.gz QFZBKRQHBJQKNJ-ZDUSSCGKSA-N 1 0 365.817 2.928 20 5 FFBDRO O=c1[nH]ccc(NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)c1[N+](=O)[O-] ZINC000596221284 520976864 /nfs/dbraw/zinc/97/68/64/520976864.db2.gz DSEAIMFLGRZQPO-UHFFFAOYSA-N 1 0 360.336 2.913 20 5 FFBDRO CC[N@@H+]1CCN(Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C[C@H]1C ZINC000611092341 520981132 /nfs/dbraw/zinc/98/11/32/520981132.db2.gz QNELBSOAYFUYCL-LLVKDONJSA-N 1 0 359.373 2.731 20 5 FFBDRO C[C@@H](Nc1ccc([N+](=O)[O-])c(N2CCOCC2)c1F)C1CC[NH+](C)CC1 ZINC000599045687 520998512 /nfs/dbraw/zinc/99/85/12/520998512.db2.gz YYAMFSCEYMDWNU-CYBMUJFWSA-N 1 0 366.437 2.713 20 5 FFBDRO O=[N+]([O-])c1cc2c(nc1N1CCC([N@@H+]3CCCOCC3)CC1)CCCC2 ZINC000596268586 521001768 /nfs/dbraw/zinc/00/17/68/521001768.db2.gz MSSQODBLMGMISR-UHFFFAOYSA-N 1 0 360.458 2.560 20 5 FFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](CO)c1ccnn1C ZINC000599054307 521004078 /nfs/dbraw/zinc/00/40/78/521004078.db2.gz JCAOYLVGMFPVJW-CHWSQXEVSA-N 1 0 350.444 2.522 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@@H]2CCCN2CC(F)F)n1 ZINC000599065334 521011627 /nfs/dbraw/zinc/01/16/27/521011627.db2.gz KIZITTDUJSPJRE-BFHYXJOUSA-N 1 0 357.405 2.594 20 5 FFBDRO Cc1c([C@@H](C)[NH2+]C[C@H]2CN(Cc3ccncc3)CCO2)cccc1[N+](=O)[O-] ZINC000599088304 521024284 /nfs/dbraw/zinc/02/42/84/521024284.db2.gz QCEHDAOHFJXAMJ-AEFFLSMTSA-N 1 0 370.453 2.850 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CC1([C@@H]2CCCCO2)CCC1 ZINC000601970347 521048170 /nfs/dbraw/zinc/04/81/70/521048170.db2.gz WGYSAKUIWZWDLD-QAPCUYQASA-N 1 0 364.442 2.664 20 5 FFBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000618398317 521051590 /nfs/dbraw/zinc/05/15/90/521051590.db2.gz ZVGCTYGCAMQZLS-UHFFFAOYSA-N 1 0 360.801 2.914 20 5 FFBDRO CCC1([NH+]2CCOCC2)CCN(c2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000599183086 521075157 /nfs/dbraw/zinc/07/51/57/521075157.db2.gz GFCSJXDTCNTMFO-UHFFFAOYSA-N 1 0 371.441 2.619 20 5 FFBDRO CCc1nn(C)c(N2CC[C@H]([N@H+](C)CCc3ccccc3)C2)c1[N+](=O)[O-] ZINC000596462833 521085531 /nfs/dbraw/zinc/08/55/31/521085531.db2.gz UVICJZPARVXYHO-INIZCTEOSA-N 1 0 357.458 2.644 20 5 FFBDRO CCOC(=O)c1ccnc(N[C@H](C)C[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000596488636 521095923 /nfs/dbraw/zinc/09/59/23/521095923.db2.gz RVYAONDFZMYRJM-CYBMUJFWSA-N 1 0 350.419 2.699 20 5 FFBDRO C[NH+](C)C[C@@H](NC(=O)Cc1ccc(F)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000593708357 521167959 /nfs/dbraw/zinc/16/79/59/521167959.db2.gz NPQWRNWXQRQLQG-MRXNPFEDSA-N 1 0 363.364 2.835 20 5 FFBDRO Cc1c(NC(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cccc1[N+](=O)[O-] ZINC000593758976 521197083 /nfs/dbraw/zinc/19/70/83/521197083.db2.gz QRDGXKRMHNOBNF-JJRVBVJISA-N 1 0 362.430 2.653 20 5 FFBDRO CC1CCN(c2ccc(C(=O)NCC(C)(C)[NH+](C)C)cc2[N+](=O)[O-])CC1 ZINC000602220214 521217437 /nfs/dbraw/zinc/21/74/37/521217437.db2.gz KKRSTZYKMVLTLG-UHFFFAOYSA-N 1 0 362.474 2.901 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)NCC(C)(C)[NH+](C)C)cc2[N+](=O)[O-])C1 ZINC000602220251 521217594 /nfs/dbraw/zinc/21/75/94/521217594.db2.gz MOZFEVHVOVTCPP-CQSZACIVSA-N 1 0 362.474 2.901 20 5 FFBDRO CC(C)[NH+]1CCC(C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)CC1 ZINC000602234222 521225536 /nfs/dbraw/zinc/22/55/36/521225536.db2.gz OTGSJTCPHPPXDI-UHFFFAOYSA-N 1 0 363.414 2.815 20 5 FFBDRO O=C(Nc1ccc(SCC[NH+]2CCCC2)cc1)c1cc([N+](=O)[O-])n[nH]1 ZINC000593839931 521241131 /nfs/dbraw/zinc/24/11/31/521241131.db2.gz XRMWCWOGOCOPNW-UHFFFAOYSA-N 1 0 361.427 2.758 20 5 FFBDRO C[N@H+](CCCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)Cc1ccccc1 ZINC000618898224 521283154 /nfs/dbraw/zinc/28/31/54/521283154.db2.gz KMFPHHBQQVOIQX-UHFFFAOYSA-N 1 0 371.393 2.575 20 5 FFBDRO CCOc1cc(C(=O)NCc2ccccc2C[NH2+]C)c([N+](=O)[O-])cc1OC ZINC000593915033 521288577 /nfs/dbraw/zinc/28/85/77/521288577.db2.gz ULDTVBXHWTWZHZ-UHFFFAOYSA-N 1 0 373.409 2.652 20 5 FFBDRO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C2 ZINC000593914563 521288818 /nfs/dbraw/zinc/28/88/18/521288818.db2.gz JVPDRMCRLXOLHU-NHYWBVRUSA-N 1 0 357.332 2.815 20 5 FFBDRO Cc1c(NC(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)cccc1[N+](=O)[O-] ZINC000599594277 521318099 /nfs/dbraw/zinc/31/80/99/521318099.db2.gz JKWYEIYMINOVAT-HNNXBMFYSA-N 1 0 362.430 2.526 20 5 FFBDRO COc1ccc(NC(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000596833063 521318854 /nfs/dbraw/zinc/31/88/54/521318854.db2.gz VJPPDEJIJVBHEC-GFCCVEGCSA-N 1 0 350.419 2.845 20 5 FFBDRO CCOc1cc(NC(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)c([N+](=O)[O-])cc1OCC ZINC000599598559 521320559 /nfs/dbraw/zinc/32/05/59/521320559.db2.gz GCOQWTQFKWGRBN-VXGBXAGGSA-N 1 0 366.418 2.654 20 5 FFBDRO Cc1ccc(C[N@@H+]2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)cn1 ZINC000593970321 521320821 /nfs/dbraw/zinc/32/08/21/521320821.db2.gz QSVDTDIMRLMIMP-UHFFFAOYSA-N 1 0 366.425 2.887 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000596837662 521322553 /nfs/dbraw/zinc/32/25/53/521322553.db2.gz WBBXYPYZLSQVJA-OAHLLOKOSA-N 1 0 364.446 2.786 20 5 FFBDRO CCOCC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CCc2ccccc21 ZINC000599624389 521340266 /nfs/dbraw/zinc/34/02/66/521340266.db2.gz DJLZDMJXDPWWMT-LJQANCHMSA-N 1 0 371.437 2.783 20 5 FFBDRO CC[NH2+]CC1CCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000602436557 521343931 /nfs/dbraw/zinc/34/39/31/521343931.db2.gz VYJNFFREPUKCGJ-UHFFFAOYSA-N 1 0 370.247 2.819 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@@H]3CCN(c4ccccc4)C3)CC2)cn1 ZINC000602437566 521347296 /nfs/dbraw/zinc/34/72/96/521347296.db2.gz CFFBVBZFIQVXLV-KRWDZBQOSA-N 1 0 367.453 2.638 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCc2c(O)cccc2C1 ZINC000599646935 521356569 /nfs/dbraw/zinc/35/65/69/521356569.db2.gz NAQBVHZAJAXBEG-UHFFFAOYSA-N 1 0 355.394 2.996 20 5 FFBDRO CCC(C)(C)[NH+]1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000594021894 521356689 /nfs/dbraw/zinc/35/66/89/521356689.db2.gz ZDXNLVYZFQMMBM-UHFFFAOYSA-N 1 0 359.430 2.951 20 5 FFBDRO CCC1(N2CCOCC2)CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000599668511 521381807 /nfs/dbraw/zinc/38/18/07/521381807.db2.gz GPMIEKQWFLUZBP-UHFFFAOYSA-N 1 0 363.458 2.550 20 5 FFBDRO C[C@@H]1CN(c2ccc(C[NH2+]CCc3ccc([N+](=O)[O-])cc3)cn2)CCO1 ZINC000602514309 521388957 /nfs/dbraw/zinc/38/89/57/521388957.db2.gz JGQBEXUMNWTKRH-OAHLLOKOSA-N 1 0 356.426 2.547 20 5 FFBDRO COC(=O)C1C[C@@H](C)[NH+](CCOc2ccc(OC)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000599688713 521403673 /nfs/dbraw/zinc/40/36/73/521403673.db2.gz LSFYRHSTRQEFJR-CHWSQXEVSA-N 1 0 366.414 2.644 20 5 FFBDRO C[C@H]1CCCN(c2ccc(C(=O)NC[C@H]3C[C@@H]([NH+](C)C)C3)cc2[N+](=O)[O-])C1 ZINC000594105989 521406065 /nfs/dbraw/zinc/40/60/65/521406065.db2.gz LYYWMYAQHSZBEH-YQQAZPJKSA-N 1 0 374.485 2.901 20 5 FFBDRO CS[C@H](CO)[C@@H](C)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602555647 521410363 /nfs/dbraw/zinc/41/03/63/521410363.db2.gz GWJMXVNRCPFMKT-HZGVNTEJSA-N 1 0 355.279 2.621 20 5 FFBDRO CCNC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602570637 521414987 /nfs/dbraw/zinc/41/49/87/521414987.db2.gz USPMARRVTXODFX-GFCCVEGCSA-N 1 0 360.336 2.507 20 5 FFBDRO CS(=O)(=O)CC1(C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602572768 521416722 /nfs/dbraw/zinc/41/67/22/521416722.db2.gz MWXASPRYOPXJDZ-UHFFFAOYSA-N 1 0 366.361 2.528 20 5 FFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594198138 521465251 /nfs/dbraw/zinc/46/52/51/521465251.db2.gz SJRNZFFUGYKQCH-HOTGVXAUSA-N 1 0 351.834 2.924 20 5 FFBDRO C[N@@H+]1CC[C@@]2(CCN(Cc3cc(Br)c([N+](=O)[O-])s3)C2)C1 ZINC000602670638 521472016 /nfs/dbraw/zinc/47/20/16/521472016.db2.gz AXUBEWUDUXNMMI-CYBMUJFWSA-N 1 0 360.277 2.946 20 5 FFBDRO Cn1ncc(C2CCC2)c1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602718985 521493499 /nfs/dbraw/zinc/49/34/99/521493499.db2.gz MQHMYBXPWZFLSZ-UHFFFAOYSA-N 1 0 370.457 2.749 20 5 FFBDRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597089476 521493815 /nfs/dbraw/zinc/49/38/15/521493815.db2.gz BJEJODVUNXJKAX-LLVKDONJSA-N 1 0 355.826 2.778 20 5 FFBDRO O=C(Nc1ccc([N+](=O)[O-])c2ccncc12)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000599831193 521500105 /nfs/dbraw/zinc/50/01/05/521500105.db2.gz PQNDBQBVFYTTCI-OLZOCXBDSA-N 1 0 355.398 2.891 20 5 FFBDRO CC(C)CN(CC[NH+](C)C)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597096570 521503622 /nfs/dbraw/zinc/50/36/22/521503622.db2.gz ANCDETVFVGXNGM-UHFFFAOYSA-N 1 0 357.842 2.882 20 5 FFBDRO Cn1cc(C[NH2+]C2(c3ccc4c(c3)OCCO4)CCCC2)c([N+](=O)[O-])n1 ZINC000602790087 521533271 /nfs/dbraw/zinc/53/32/71/521533271.db2.gz ADSRZIZKNPXZEW-UHFFFAOYSA-N 1 0 358.398 2.659 20 5 FFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000615835650 521552560 /nfs/dbraw/zinc/55/25/60/521552560.db2.gz XVAUGACNKLJICN-MBGNVJMVSA-N 1 0 358.486 2.710 20 5 FFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000615835653 521552604 /nfs/dbraw/zinc/55/26/04/521552604.db2.gz XVAUGACNKLJICN-XMJIKXADSA-N 1 0 358.486 2.710 20 5 FFBDRO COc1c(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cccc1[N+](=O)[O-] ZINC000619440574 521568426 /nfs/dbraw/zinc/56/84/26/521568426.db2.gz HPWOAFFYUJKXSC-CJNGLKHVSA-N 1 0 359.426 2.692 20 5 FFBDRO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CS1(=O)=O ZINC000597209274 521576244 /nfs/dbraw/zinc/57/62/44/521576244.db2.gz QARDEIRIBKLOSA-TXCZRRACSA-N 1 0 366.483 2.861 20 5 FFBDRO CC(C)[C@@H](CNc1nc2ccccc2cc1[N+](=O)[O-])[NH+]1CCN(C)CC1 ZINC000473512898 561051591 /nfs/dbraw/zinc/05/15/91/561051591.db2.gz JLGTUKYYRPFGHN-GOSISDBHSA-N 1 0 357.458 2.827 20 5 FFBDRO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1NC1CC[NH+](C2CCCC2)CC1 ZINC000823630071 606403558 /nfs/dbraw/zinc/40/35/58/606403558.db2.gz QOGXRVLAGLKGPE-UHFFFAOYSA-N 1 0 357.418 2.594 20 5 FFBDRO Cc1ccc([C@@H](C)[NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)cc1[N+](=O)[O-] ZINC000826282798 608280243 /nfs/dbraw/zinc/28/02/43/608280243.db2.gz CPTJJHGQLDZZGL-CYBMUJFWSA-N 1 0 368.397 2.813 20 5 FFBDRO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824599883 609341428 /nfs/dbraw/zinc/34/14/28/609341428.db2.gz UEJLCMIXWXHVJW-LLVKDONJSA-N 1 0 372.360 2.644 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164722050 720394766 /nfs/dbraw/zinc/39/47/66/720394766.db2.gz BTWYRVZYWUBDOB-IRXDYDNUSA-N 1 0 353.426 2.855 20 5 FFBDRO Cc1cc(N2CC[C@H]3[C@H]2CC[N@H+]3CCN(C)C)nc2ccc([N+](=O)[O-])cc12 ZINC001164932512 721855079 /nfs/dbraw/zinc/85/50/79/721855079.db2.gz YNOSJQLJNVGIQI-RBUKOAKNSA-N 1 0 369.469 2.666 20 5 FFBDRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1nc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001164928953 721861479 /nfs/dbraw/zinc/86/14/79/721861479.db2.gz PEYLBJJEWOCVGD-VXGBXAGGSA-N 1 0 374.272 2.511 20 5 FFBDRO Nc1cc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)ncc1[N+](=O)[O-] ZINC001164997329 722202936 /nfs/dbraw/zinc/20/29/36/722202936.db2.gz ZOISBROKBCEKJJ-IBGZPJMESA-N 1 0 371.416 2.956 20 5 FFBDRO COCC[N@H+]1[C@H](C)CN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000154627932 728808431 /nfs/dbraw/zinc/80/84/31/728808431.db2.gz ZDGSTENDSCESBS-TXEJJXNPSA-N 1 0 370.837 2.821 20 5 FFBDRO CC[NH+](CC)CCNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000155178664 728821966 /nfs/dbraw/zinc/82/19/66/728821966.db2.gz KOCOFTBUVJENPJ-UHFFFAOYSA-N 1 0 359.224 2.821 20 5 FFBDRO CC(C)[NH+]1CCN([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000045777088 728008388 /nfs/dbraw/zinc/00/83/88/728008388.db2.gz CDFWJYAWXZGYEW-LBPRGKRZSA-N 1 0 354.838 2.601 20 5 FFBDRO CC[NH+](CC)[C@@H]1CCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000072834696 728213934 /nfs/dbraw/zinc/21/39/34/728213934.db2.gz OEIXDDZFKXIVQW-CYBMUJFWSA-N 1 0 354.838 2.603 20 5 FFBDRO CC(C)C[N@@H+]1CCO[C@H](COC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000073194660 728218550 /nfs/dbraw/zinc/21/85/50/728218550.db2.gz MJJLWXFZQZPSAM-ZDUSSCGKSA-N 1 0 356.806 2.762 20 5 FFBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000132340871 728724277 /nfs/dbraw/zinc/72/42/77/728724277.db2.gz VDAYCCIARFXQEL-UHFFFAOYSA-N 1 0 373.450 2.537 20 5 FFBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](C[C@H](O)c3ccccc3Cl)C2)nc1 ZINC000173470860 729048089 /nfs/dbraw/zinc/04/80/89/729048089.db2.gz ZKVQGLNERAVNEA-LRDDRELGSA-N 1 0 362.817 2.863 20 5 FFBDRO [NH3+][C@@H]1CCC[C@@H]2CN(Cc3ccc(Br)c([N+](=O)[O-])c3)C[C@@H]21 ZINC000230132219 729550462 /nfs/dbraw/zinc/55/04/62/729550462.db2.gz AGLMCCXMLDUSEV-MBNYWOFBSA-N 1 0 354.248 2.917 20 5 FFBDRO C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)c2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000861786955 730641588 /nfs/dbraw/zinc/64/15/88/730641588.db2.gz WBAZALGNFUXAHC-GFCCVEGCSA-N 1 0 367.833 2.574 20 5 FFBDRO CC(C)CN(C(=O)Cc1cccc(F)c1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000865810136 730999897 /nfs/dbraw/zinc/99/98/97/730999897.db2.gz LTHAWVZNOCMETA-UHFFFAOYSA-N 1 0 351.422 2.855 20 5 FFBDRO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000868108516 731259754 /nfs/dbraw/zinc/25/97/54/731259754.db2.gz MCDCOZOLQGAGES-PWSUYJOCSA-N 1 0 356.329 2.554 20 5 FFBDRO O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000868138130 731262579 /nfs/dbraw/zinc/26/25/79/731262579.db2.gz FTPDLCWWCFHSFG-VXGBXAGGSA-N 1 0 369.219 2.716 20 5 FFBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC000872047545 731724081 /nfs/dbraw/zinc/72/40/81/731724081.db2.gz DYOISGWXMPFMKB-NSHDSACASA-N 1 0 358.485 2.792 20 5 FFBDRO CCS(=O)(=O)C1(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2SC)CC1 ZINC000872087573 731728059 /nfs/dbraw/zinc/72/80/59/731728059.db2.gz FHHNQMYPQFLYFA-NSHDSACASA-N 1 0 358.485 2.935 20 5 FFBDRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000874830731 732104776 /nfs/dbraw/zinc/10/47/76/732104776.db2.gz SSOOZDBWODIGQO-KGLIPLIRSA-N 1 0 355.797 2.625 20 5 FFBDRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000874831656 732105215 /nfs/dbraw/zinc/10/52/15/732105215.db2.gz ADNZDQMANBLELV-VXGBXAGGSA-N 1 0 355.341 2.505 20 5 FFBDRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000874839248 732106367 /nfs/dbraw/zinc/10/63/67/732106367.db2.gz UPBQAJVRTYQZAX-KGLIPLIRSA-N 1 0 367.833 2.712 20 5 FFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]CCCNc1ncccn1 ZINC000876874252 732290631 /nfs/dbraw/zinc/29/06/31/732290631.db2.gz BNNRLLOUXLCSII-UHFFFAOYSA-N 1 0 355.320 2.995 20 5 FFBDRO CC(C)c1ccc(C(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000877356580 732348871 /nfs/dbraw/zinc/34/88/71/732348871.db2.gz HBFRKPBOBNBSTN-DGCLKSJQSA-N 1 0 359.348 2.927 20 5 FFBDRO CC[C@H](Cc1cccs1)[NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000877830891 732443905 /nfs/dbraw/zinc/44/39/05/732443905.db2.gz MXDHSZDSFHWVOB-KBRIMQKVSA-N 1 0 350.440 2.662 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000878174958 732493561 /nfs/dbraw/zinc/49/35/61/732493561.db2.gz VPFNSNXRVBUXTM-UONOGXRCSA-N 1 0 350.444 2.749 20 5 FFBDRO C[C@@H](CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000781605710 738640495 /nfs/dbraw/zinc/64/04/95/738640495.db2.gz CPFXMRUYRXVPBW-NSHDSACASA-N 1 0 357.357 2.800 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000879560717 732723246 /nfs/dbraw/zinc/72/32/46/732723246.db2.gz IFHZXQDTTFTUMD-STQMWFEESA-N 1 0 365.455 2.617 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H]1CCC2(CCOCC2)O1 ZINC000927022248 738682325 /nfs/dbraw/zinc/68/23/25/738682325.db2.gz YTMKGOPIYMCCHX-DZGCQCFKSA-N 1 0 350.415 2.982 20 5 FFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C[C@H](O)C12CCOCC2 ZINC000927155317 738697580 /nfs/dbraw/zinc/69/75/80/738697580.db2.gz JWNNUFKTRLGQOD-XYPHTWIQSA-N 1 0 366.483 2.985 20 5 FFBDRO CC1(C)C[C@@H]([NH2+]CC[C@@H]2CCCS2(=O)=O)c2cc([N+](=O)[O-])ccc21 ZINC000883308119 733366057 /nfs/dbraw/zinc/36/60/57/733366057.db2.gz IIVZVLYBBJKWBL-XJKSGUPXSA-N 1 0 352.456 2.874 20 5 FFBDRO COCC1(C)CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000782530451 738731140 /nfs/dbraw/zinc/73/11/40/738731140.db2.gz GINHIAYUMGFNMJ-UHFFFAOYSA-N 1 0 353.394 2.811 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)cc1Cl ZINC000885889162 733726540 /nfs/dbraw/zinc/72/65/40/733726540.db2.gz YFJVOXCYXOIXPX-CYBMUJFWSA-N 1 0 367.833 2.540 20 5 FFBDRO CCCN(C(=O)Nc1ccc([N+](=O)[O-])c(OCC)c1)[C@@H]1CC[N@H+](C)C1 ZINC000888831333 734103487 /nfs/dbraw/zinc/10/34/87/734103487.db2.gz JCGFAXFGKMWVCM-CQSZACIVSA-N 1 0 350.419 2.942 20 5 FFBDRO CCC[NH+]1CCC(NC(=O)Nc2ccc([N+](=O)[O-])c(OCC)c2)CC1 ZINC000888834868 734103831 /nfs/dbraw/zinc/10/38/31/734103831.db2.gz UYWQJIIUEBZUSN-UHFFFAOYSA-N 1 0 350.419 2.989 20 5 FFBDRO CN(C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCC[N@H+](C)C1 ZINC000894047149 734792597 /nfs/dbraw/zinc/79/25/97/734792597.db2.gz HOZDJJAQPZSHNS-AWEZNQCLSA-N 1 0 354.838 2.526 20 5 FFBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000895888346 735070524 /nfs/dbraw/zinc/07/05/24/735070524.db2.gz SUTYLFQGBNMEHO-SSDOTTSWSA-N 1 0 350.177 2.865 20 5 FFBDRO CS(=O)(=O)c1ccccc1CC[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000896811938 735184402 /nfs/dbraw/zinc/18/44/02/735184402.db2.gz PZWFDECDHQRNMT-UHFFFAOYSA-N 1 0 368.842 2.984 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000747375628 735560161 /nfs/dbraw/zinc/56/01/61/735560161.db2.gz PJXHEVDFBBQMMD-XFBWCDHKSA-N 1 0 367.833 2.572 20 5 FFBDRO C[NH+]1CCC2(CCN2C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000747591148 735572110 /nfs/dbraw/zinc/57/21/10/735572110.db2.gz UGWJZMSAYCBMDG-UHFFFAOYSA-N 1 0 357.332 2.924 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC12CC[NH+](C)CC2 ZINC000748326207 735635508 /nfs/dbraw/zinc/63/55/08/735635508.db2.gz NIKVJVVRNAXPFI-GFCCVEGCSA-N 1 0 367.833 2.712 20 5 FFBDRO C[NH+](C)CCOC1CCN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)CC1 ZINC000900681346 735679405 /nfs/dbraw/zinc/67/94/05/735679405.db2.gz MGLVZBFWXALGKF-UHFFFAOYSA-N 1 0 373.812 2.570 20 5 FFBDRO O=C(C[N@@H+]1CCC[C@H]([C@H]2CCOC2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000749561902 735731470 /nfs/dbraw/zinc/73/14/70/735731470.db2.gz QOYJDUBXPUOMQY-STQMWFEESA-N 1 0 367.833 2.935 20 5 FFBDRO COc1cc([C@H](C)[NH2+]CC[S@](=O)CC(F)(F)F)cc([N+](=O)[O-])c1 ZINC000903201652 736054067 /nfs/dbraw/zinc/05/40/67/736054067.db2.gz ZAXTVOSKMQFOEU-KLVQOETNSA-N 1 0 354.350 2.565 20 5 FFBDRO COc1cc([C@H](C)[NH2+]CC(C)(C)[C@@]2(O)CCCOC2)cc([N+](=O)[O-])c1 ZINC000903203679 736054672 /nfs/dbraw/zinc/05/46/72/736054672.db2.gz MZGFYCDGGNPCHE-SCLBCKFNSA-N 1 0 352.431 2.822 20 5 FFBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CCCOC1 ZINC000754569292 736174256 /nfs/dbraw/zinc/17/42/56/736174256.db2.gz QSIPLNCYRRDGNH-GRYCIOLGSA-N 1 0 355.822 2.980 20 5 FFBDRO O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)N1CC[NH2+]CCC12CCOCC2 ZINC000904328186 736243952 /nfs/dbraw/zinc/24/39/52/736243952.db2.gz AUUNIVFPVYKRQJ-UHFFFAOYSA-N 1 0 368.821 2.625 20 5 FFBDRO CC(C)CN(CC[NH+](C)C)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000757254944 736398977 /nfs/dbraw/zinc/39/89/77/736398977.db2.gz GKSZFALNXMRBCQ-UHFFFAOYSA-N 1 0 356.854 2.977 20 5 FFBDRO CC[NH+](CC)CCOCCNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000758688075 736513846 /nfs/dbraw/zinc/51/38/46/736513846.db2.gz LVCJQELFKBECKO-UHFFFAOYSA-N 1 0 358.826 2.728 20 5 FFBDRO CC[C@H](C)[NH2+][C@H](CNS(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccco1 ZINC000796047825 740095999 /nfs/dbraw/zinc/09/59/99/740095999.db2.gz LCNKTBHORRBSCO-CMPLNLGQSA-N 1 0 373.456 2.657 20 5 FFBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC000907170230 736592786 /nfs/dbraw/zinc/59/27/86/736592786.db2.gz BZUUPTNVTZGFLF-SNVBAGLBSA-N 1 0 354.838 2.633 20 5 FFBDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000801864686 740659430 /nfs/dbraw/zinc/65/94/30/740659430.db2.gz PXWXJTUOAKZUHH-GFCCVEGCSA-N 1 0 352.410 2.701 20 5 FFBDRO CC[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)[C@H](C)C1 ZINC000910285295 737052815 /nfs/dbraw/zinc/05/28/15/737052815.db2.gz XDKHXKAAVPVQTK-LLVKDONJSA-N 1 0 357.357 2.753 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])c(NCC[NH+]2CCC(OC)CC2)cc1Cl ZINC000765518049 737128008 /nfs/dbraw/zinc/12/80/08/737128008.db2.gz FXVBLZBPUDSGEW-UHFFFAOYSA-N 1 0 371.821 2.558 20 5 FFBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2cc([N+](=O)[O-])ccc2Br)C[C@H]1C ZINC000766557949 737242113 /nfs/dbraw/zinc/24/21/13/737242113.db2.gz WYPLRSMUTRQNOJ-MNOVXSKESA-N 1 0 370.247 2.912 20 5 FFBDRO CC(C)c1n[nH]c(C(=O)N2[C@@H](C)CCC[C@H]2CC[NH+](C)C)c1[N+](=O)[O-] ZINC000912650115 737327571 /nfs/dbraw/zinc/32/75/71/737327571.db2.gz IENIDKPWAODAPC-STQMWFEESA-N 1 0 351.451 2.776 20 5 FFBDRO CC(C)(C)OC(=O)NCCN(CCO)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000767929669 737383733 /nfs/dbraw/zinc/38/37/33/737383733.db2.gz COOXCIJLPDPGCR-UHFFFAOYSA-N 1 0 373.837 2.567 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000770103065 737596820 /nfs/dbraw/zinc/59/68/20/737596820.db2.gz NIMJNCWYFVNSSY-AWEZNQCLSA-N 1 0 352.866 2.773 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000771762312 737753394 /nfs/dbraw/zinc/75/33/94/737753394.db2.gz OCSOSCYBOWEZPE-QWHCGFSZSA-N 1 0 373.450 2.536 20 5 FFBDRO CC[C@@H]([NH2+][C@@H](CCSC)C(=O)N(C)OC)c1cccc([N+](=O)[O-])c1 ZINC000773052681 737866370 /nfs/dbraw/zinc/86/63/70/737866370.db2.gz PQFZYDJECVRUCV-CABCVRRESA-N 1 0 355.460 2.777 20 5 FFBDRO COc1cc(C[NH2+]C[C@@H]2CCC[C@H](C(F)(F)F)O2)c([N+](=O)[O-])cc1O ZINC000922694177 738186810 /nfs/dbraw/zinc/18/68/10/738186810.db2.gz KCPLPIMIMONTAI-IINYFYTJSA-N 1 0 364.320 2.899 20 5 FFBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923536424 738299231 /nfs/dbraw/zinc/29/92/31/738299231.db2.gz LJQWZWQHLPLHCW-SJCJKPOMSA-N 1 0 366.849 2.793 20 5 FFBDRO C[NH+](C)CC1CCC(NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000778050011 738348431 /nfs/dbraw/zinc/34/84/31/738348431.db2.gz LJNFWOCLIVFCRI-UHFFFAOYSA-N 1 0 355.385 2.923 20 5 FFBDRO C[C@@H](CNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1)[N@@H+]1CCCC[C@H]1C ZINC000778237135 738365611 /nfs/dbraw/zinc/36/56/11/738365611.db2.gz SWUMTKQWJZSJRH-MNOVXSKESA-N 1 0 363.443 2.592 20 5 FFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](C[C@H]3CC[C@H](C(F)(F)F)O3)C2)nc1 ZINC000929986649 739045625 /nfs/dbraw/zinc/04/56/25/739045625.db2.gz IDLZNCHOFBODIA-RAIGVLPGSA-N 1 0 360.336 2.586 20 5 FFBDRO COc1cc(CN2CC[C@H]([NH+](C)C)[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000931048067 739203694 /nfs/dbraw/zinc/20/36/94/739203694.db2.gz UYSJORSGQLKGOE-JQWIXIFHSA-N 1 0 359.373 2.729 20 5 FFBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)CCc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000931118485 739214669 /nfs/dbraw/zinc/21/46/69/739214669.db2.gz UJTCMQQDTUJFLB-AWEZNQCLSA-N 1 0 351.422 2.903 20 5 FFBDRO O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)Nc1cccc([N+](=O)[O-])c1Cl ZINC000931296889 739239913 /nfs/dbraw/zinc/23/99/13/739239913.db2.gz CNUAPDRCVYHAMQ-LBPRGKRZSA-N 1 0 368.821 2.623 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CCC[C@H](C[NH+](C)C)C1 ZINC000790264999 739430688 /nfs/dbraw/zinc/43/06/88/739430688.db2.gz HRGUAGMVASVHNW-LLVKDONJSA-N 1 0 355.822 2.813 20 5 FFBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NCCC[NH+]1CCCCC1 ZINC000790482782 739460597 /nfs/dbraw/zinc/46/05/97/739460597.db2.gz OKKFWCXZYIMRPY-UHFFFAOYSA-N 1 0 357.813 2.922 20 5 FFBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC000790912662 739512440 /nfs/dbraw/zinc/51/24/40/739512440.db2.gz XXEXAOOPHYJDFG-WDEREUQCSA-N 1 0 357.813 2.871 20 5 FFBDRO CC(C)C[C@H]1C[N@H+](C)CCN1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000933247629 739588719 /nfs/dbraw/zinc/58/87/19/739588719.db2.gz HKPIZSBISULGHU-AWEZNQCLSA-N 1 0 368.865 2.849 20 5 FFBDRO C[C@H](C(=O)OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[N@H+]1[C@H](C)CC[C@@H]1C ZINC000791930077 739617433 /nfs/dbraw/zinc/61/74/33/739617433.db2.gz KEAGSTRFHGXCRN-GRYCIOLGSA-N 1 0 351.359 2.808 20 5 FFBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC000933436614 739624758 /nfs/dbraw/zinc/62/47/58/739624758.db2.gz USEFGVWPLFOPOW-DOMZBBRYSA-N 1 0 353.850 2.979 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCCSC[C@@H]1C1CC1 ZINC000933913389 739704022 /nfs/dbraw/zinc/70/40/22/739704022.db2.gz BUXXPFXRIBICBI-GDBMZVCRSA-N 1 0 352.456 2.552 20 5 FFBDRO O=C1CC[N@H+](Cc2cccc([N+](=O)[O-])c2Br)CCCCCN1 ZINC000934156062 739737327 /nfs/dbraw/zinc/73/73/27/739737327.db2.gz IVEQRJBPPCARDL-UHFFFAOYSA-N 1 0 370.247 2.850 20 5 FFBDRO COc1c[nH+]ccc1N1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000793370218 739774773 /nfs/dbraw/zinc/77/47/73/739774773.db2.gz PJJYJFXZDDQQKP-UHFFFAOYSA-N 1 0 362.817 2.974 20 5 FFBDRO O=[N+]([O-])c1cccc(Br)c1C[NH2+][C@H]1CCOC12CCOCC2 ZINC000934399857 739781342 /nfs/dbraw/zinc/78/13/42/739781342.db2.gz PUMZPRFFHFNRFB-AWEZNQCLSA-N 1 0 371.231 2.785 20 5 FFBDRO Cc1c(C[NH+]2CCC(CN=[S@@](C)(=O)N(C)C)CC2)cccc1[N+](=O)[O-] ZINC000934749040 739831299 /nfs/dbraw/zinc/83/12/99/739831299.db2.gz BUZMMWIVXZAPTR-RUZDIDTESA-N 1 0 368.503 2.690 20 5 FFBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)C1 ZINC000934951152 739870908 /nfs/dbraw/zinc/87/09/08/739870908.db2.gz NNUXRNIYRCPGHQ-CABZTGNLSA-N 1 0 370.812 2.526 20 5 FFBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC000935941422 740035177 /nfs/dbraw/zinc/03/51/77/740035177.db2.gz SHKYWJDQSPFSIE-NXEZZACHSA-N 1 0 370.812 2.668 20 5 FFBDRO CN(C)C(=O)OC[C@H]1CCCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000796548520 740152055 /nfs/dbraw/zinc/15/20/55/740152055.db2.gz NIDAUGKSAYPPHU-OAHLLOKOSA-N 1 0 351.403 2.526 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=S)NCC(C)(C)C[NH+](C)C ZINC000798374310 740326349 /nfs/dbraw/zinc/32/63/49/740326349.db2.gz LIBXLMQYNSCGQO-UHFFFAOYSA-N 1 0 354.476 2.868 20 5 FFBDRO C[C@H](O)C[N@@H+]1CCN(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])[C@H](C)C1 ZINC000809982021 741369218 /nfs/dbraw/zinc/36/92/18/741369218.db2.gz FOBHJCXRQWGUNY-MNOVXSKESA-N 1 0 362.257 2.789 20 5 FFBDRO Cc1cc(S(=O)(=O)NCCCCC[NH+]2CCCC2)cc([N+](=O)[O-])c1F ZINC000815069213 741894705 /nfs/dbraw/zinc/89/47/05/741894705.db2.gz BUWTXWMOCFYVNI-UHFFFAOYSA-N 1 0 373.450 2.587 20 5 FFBDRO CC1(C)CCC(C[NH+]2CCC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1 ZINC001001400015 742118662 /nfs/dbraw/zinc/11/86/62/742118662.db2.gz PIGPVRNAMBVUNO-IAGOWNOFSA-N 1 0 351.491 2.696 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCOc2ncc(Cl)cc2Cl)cc1 ZINC000819162159 742346473 /nfs/dbraw/zinc/34/64/73/742346473.db2.gz QNZOEOCVFRASJA-AWEZNQCLSA-N 1 0 372.208 2.999 20 5 FFBDRO C[C@H](CCNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)[NH+](C)C ZINC000822139487 742702314 /nfs/dbraw/zinc/70/23/14/742702314.db2.gz PUOJINKXAMOQDW-SECBINFHSA-N 1 0 359.224 2.819 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CC3(CF)CCOCC3)CC2)cc1 ZINC000824795056 743149814 /nfs/dbraw/zinc/14/98/14/743149814.db2.gz MUFJRSRYFXQTOO-UHFFFAOYSA-N 1 0 351.422 2.920 20 5 FFBDRO Cc1cc(Cl)c(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000826928593 743472298 /nfs/dbraw/zinc/47/22/98/743472298.db2.gz GZYLAXYODPNJTD-ZDUSSCGKSA-N 1 0 367.833 2.540 20 5 FFBDRO Cc1cc([C@@H]([NH3+])CC(=O)NCCc2ccc([N+](=O)[O-])cc2)cc(Cl)n1 ZINC000827544109 743598274 /nfs/dbraw/zinc/59/82/74/743598274.db2.gz WBBKYBAYLJJPDU-HNNXBMFYSA-N 1 0 362.817 2.700 20 5 FFBDRO C[C@@H]1C[NH+](CCCCNC(=O)c2cc([N+](=O)[O-])ccc2Cl)C[C@@H](C)O1 ZINC000829801479 745261922 /nfs/dbraw/zinc/26/19/22/745261922.db2.gz QGOMKRHTMJNHLW-CHWSQXEVSA-N 1 0 369.849 2.867 20 5 FFBDRO CCO[C@@H]1C[C@@H]([NH2+]CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1SC ZINC000830435158 745357565 /nfs/dbraw/zinc/35/75/65/745357565.db2.gz MCTJESFHSYTBSM-KYOSRNDESA-N 1 0 373.862 2.685 20 5 FFBDRO O=C(C[N@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000831159553 745492535 /nfs/dbraw/zinc/49/25/35/745492535.db2.gz WTGLYMFSMYURSH-XPKDYRNWSA-N 1 0 367.833 2.812 20 5 FFBDRO COC[C@H]1CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000832745344 745748902 /nfs/dbraw/zinc/74/89/02/745748902.db2.gz JAAQSOJQVGINOZ-ZDUSSCGKSA-N 1 0 353.394 2.811 20 5 FFBDRO C[N@@H+](Cc1ccccc1)C[C@@H](O)COc1ccc([N+](=O)[O-])c(F)c1F ZINC000834388038 745829335 /nfs/dbraw/zinc/82/93/35/745829335.db2.gz ODUCPGSHIWVAQD-CYBMUJFWSA-N 1 0 352.337 2.745 20 5 FFBDRO C[N@@H+]1CCC[C@H](CCNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000838148714 746584404 /nfs/dbraw/zinc/58/44/04/746584404.db2.gz KGRFDDSWTYJSGN-LLVKDONJSA-N 1 0 357.813 2.778 20 5 FFBDRO CC(C)(C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@H]1COCC12OCCO2 ZINC000839171560 746792883 /nfs/dbraw/zinc/79/28/83/746792883.db2.gz BQTLRMBGMHOLDU-OAHLLOKOSA-N 1 0 370.833 2.754 20 5 FFBDRO CC[C@H](C(=O)N[C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F)[NH+](C)C ZINC000840526935 747116334 /nfs/dbraw/zinc/11/63/34/747116334.db2.gz KTLZDUGXPSGYSM-BXKDBHETSA-N 1 0 351.300 2.794 20 5 FFBDRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841161141 747284362 /nfs/dbraw/zinc/28/43/62/747284362.db2.gz KGBAXOOILFDEHW-BXKDBHETSA-N 1 0 371.235 2.996 20 5 FFBDRO CC[C@@H]1CN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000841161481 747284462 /nfs/dbraw/zinc/28/44/62/747284462.db2.gz LMUCYHBVOCXNSW-SKDRFNHKSA-N 1 0 371.235 2.948 20 5 FFBDRO [NH3+]C[C@H]1CC[C@H](CNC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000841857504 747477861 /nfs/dbraw/zinc/47/78/61/747477861.db2.gz HUIFCVSEYMUJDS-HAQNSBGRSA-N 1 0 354.838 2.813 20 5 FFBDRO CN(C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])C1CCC([NH3+])CC1 ZINC000841876317 747481150 /nfs/dbraw/zinc/48/11/50/747481150.db2.gz ZMMLYVIZLHIGON-UHFFFAOYSA-N 1 0 354.838 2.702 20 5 FFBDRO [NH3+]C[C@@H](NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000842476968 747612745 /nfs/dbraw/zinc/61/27/45/747612745.db2.gz YKJRLDRVCSHHOP-CQSZACIVSA-N 1 0 354.838 2.684 20 5 FFBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000842483344 747615897 /nfs/dbraw/zinc/61/58/97/747615897.db2.gz JNOVZOANRDYCNS-CHWSQXEVSA-N 1 0 373.862 2.543 20 5 FFBDRO CC[NH2+]CC1CCN([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000843352088 747815249 /nfs/dbraw/zinc/81/52/49/747815249.db2.gz DHJKWMGZFKQBNG-LBPRGKRZSA-N 1 0 368.865 2.897 20 5 FFBDRO CC(C)[C@H]([NH3+])CCN(C)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000843354750 747816039 /nfs/dbraw/zinc/81/60/39/747816039.db2.gz LRHARLGTCZZHLT-SMDDNHRTSA-N 1 0 356.854 2.880 20 5 FFBDRO O=C(CN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000843363373 747817866 /nfs/dbraw/zinc/81/78/66/747817866.db2.gz YQIHKAZMZAYKOF-WFASDCNBSA-N 1 0 366.849 2.651 20 5 FFBDRO CC[C@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CC[C@@H]1[NH3+] ZINC000843470823 747841571 /nfs/dbraw/zinc/84/15/71/747841571.db2.gz DTISAPUEDAFLKO-KWQFWETISA-N 1 0 374.210 2.696 20 5 FFBDRO CC[C@H]1COC(C)(C)C[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000844383904 748017921 /nfs/dbraw/zinc/01/79/21/748017921.db2.gz AOVGXKMLCBVAOQ-LBPRGKRZSA-N 1 0 353.394 2.952 20 5 FFBDRO COc1cc(C(=O)OC[C@@H]2CC[N@@H+]2C(C)(C)C)c([N+](=O)[O-])cc1OC ZINC000845739278 748318128 /nfs/dbraw/zinc/31/81/28/748318128.db2.gz QQMXMZPCYCBOIG-NSHDSACASA-N 1 0 352.387 2.642 20 5 FFBDRO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)NCc1cc([N+](=O)[O-])ccc1Cl)C2 ZINC000846156919 748417132 /nfs/dbraw/zinc/41/71/32/748417132.db2.gz ZKIPJHDBTUAMKY-LRDDRELGSA-N 1 0 352.822 2.519 20 5 FFBDRO CCOc1cc(C(=O)OCC[C@H]2CC[N@H+](C)C2)c([N+](=O)[O-])cc1OC ZINC000847828100 748791795 /nfs/dbraw/zinc/79/17/95/748791795.db2.gz LQONYAFTGMKACM-GFCCVEGCSA-N 1 0 352.387 2.501 20 5 FFBDRO CSC[C@@H]1CCC[N@H+](CN2CC[C@H](c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000848490619 748940141 /nfs/dbraw/zinc/94/01/41/748940141.db2.gz QAHFZGYLBWFKRG-RHSMWYFYSA-N 1 0 363.483 2.943 20 5 FFBDRO C[NH+](C)[C@@H]1CCCN(C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000848592772 748969260 /nfs/dbraw/zinc/96/92/60/748969260.db2.gz MUBGKIMEAIWNSB-GFCCVEGCSA-N 1 0 357.357 2.509 20 5 FFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC[S@](=O)CC(F)(F)F ZINC000850350107 749348972 /nfs/dbraw/zinc/34/89/72/749348972.db2.gz OARJUIAHQNNPGF-TZCKBEDOSA-N 1 0 350.362 2.899 20 5 FFBDRO C[S@](=O)[C@H]1CCC[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000850500456 749376112 /nfs/dbraw/zinc/37/61/12/749376112.db2.gz DMNOBMFVHJKSOL-LCAJTWGOSA-N 1 0 365.499 2.843 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000852198873 749800029 /nfs/dbraw/zinc/80/00/29/749800029.db2.gz BXKSXUFOOYQEOG-LBPRGKRZSA-N 1 0 354.838 2.920 20 5 FFBDRO COc1cc(N2C[C@@H]([NH+]3CCCC3)[C@@H](SC)C2)c([N+](=O)[O-])cc1C ZINC000853483870 750070944 /nfs/dbraw/zinc/07/09/44/750070944.db2.gz QGLLCMFRAAVRCH-WBVHZDCISA-N 1 0 351.472 2.928 20 5 FFBDRO CC(C)[NH2+]C1(CO)CCN(c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000853656803 750128650 /nfs/dbraw/zinc/12/86/50/750128650.db2.gz BZLYANCXNAQGLB-UHFFFAOYSA-N 1 0 372.263 2.687 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCOCCCO)o2)c(Cl)c1 ZINC000512879894 845930938 /nfs/dbraw/zinc/93/09/38/845930938.db2.gz LJTKQFGKYPVLIZ-UHFFFAOYSA-N 1 0 354.790 2.997 20 5 FFBDRO COc1cc(C[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2)ccc1[N+](=O)[O-] ZINC000826179327 947555071 /nfs/dbraw/zinc/55/50/71/947555071.db2.gz JTYUZUUGPPEJCB-NSHDSACASA-N 1 0 354.370 2.634 20 5 FFBDRO C[C@H]([NH2+]CC(C)(C)[C@@H]1COCC12OCCO2)c1c(F)cccc1[N+](=O)[O-] ZINC000872079692 1013140785 /nfs/dbraw/zinc/14/07/85/1013140785.db2.gz OEGHCHWVCDENBP-WFASDCNBSA-N 1 0 368.405 2.800 20 5 FFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H](CO)c2cccc(C(F)(F)F)c2)c1 ZINC000872217093 1013182466 /nfs/dbraw/zinc/18/24/66/1013182466.db2.gz MZJYCYXBIJDIMO-HOTGVXAUSA-N 1 0 370.327 2.970 20 5 FFBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000254943158 959568629 /nfs/dbraw/zinc/56/86/29/959568629.db2.gz ZZINOZUMBYTUCL-UTCJRWHESA-N 1 0 366.421 2.784 20 5 FFBDRO CC[C@H]1CO[C@](C)(CCC(C)C)N1c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001167133098 960223364 /nfs/dbraw/zinc/22/33/64/960223364.db2.gz SVZJEQFGSZCHNX-KBXCAEBGSA-N 1 0 363.462 2.839 20 5 FFBDRO CC1([NH+]2CCCC2)CCN(Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)CC1 ZINC000872646106 1013243069 /nfs/dbraw/zinc/24/30/69/1013243069.db2.gz ZIAQWZLQGPAKIK-UHFFFAOYSA-N 1 0 370.457 2.761 20 5 FFBDRO CC1([NH+]2CCCC2)CCN(Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000872645253 1013243432 /nfs/dbraw/zinc/24/34/32/1013243432.db2.gz OBGBZDQUYRIQCJ-UHFFFAOYSA-N 1 0 370.457 2.761 20 5 FFBDRO COc1ccc(Cn2cc(C[NH2+]CCc3ccccc3[N+](=O)[O-])nn2)cc1 ZINC000873063093 1013369823 /nfs/dbraw/zinc/36/98/23/1013369823.db2.gz JMZHYWHDEKAGIS-UHFFFAOYSA-N 1 0 367.409 2.576 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC(C)(C)[C@@H]1COCC12OCCO2 ZINC000873130470 1013395115 /nfs/dbraw/zinc/39/51/15/1013395115.db2.gz DQINYVDHLFGBNM-KRWDZBQOSA-N 1 0 364.442 2.717 20 5 FFBDRO COc1ccc(OC)c([C@H](O)[C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2F)c1 ZINC000873196043 1013419867 /nfs/dbraw/zinc/41/98/67/1013419867.db2.gz QNPAJTRTOPZLTG-BBATYDOGSA-N 1 0 364.373 2.963 20 5 FFBDRO CCCN(C(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-])C1CC1 ZINC000934044963 965543950 /nfs/dbraw/zinc/54/39/50/965543950.db2.gz DUDWSZIVBVYMNP-UHFFFAOYSA-N 1 0 361.446 2.753 20 5 FFBDRO O=[N+]([O-])/C=C/c1ccc(Nc2ccc(N3CC[NH+](CCO)CC3)cc2)cc1 ZINC001175902595 1013586501 /nfs/dbraw/zinc/58/65/01/1013586501.db2.gz QLKLYYSPKLKYGS-MDZDMXLPSA-N 1 0 368.437 2.792 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134902465 965943390 /nfs/dbraw/zinc/94/33/90/965943390.db2.gz VMHXCINQZRTMNV-WBVHZDCISA-N 1 0 372.469 2.790 20 5 FFBDRO O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3cnn(CC4CCC4)c3)C2)nc1 ZINC000892077891 965944894 /nfs/dbraw/zinc/94/48/94/965944894.db2.gz BQLIKTSMFKLMGU-INIZCTEOSA-N 1 0 356.430 2.673 20 5 FFBDRO Cc1c(NC(=O)[C@H](C)[NH2+]CC2(C3(O)CCC3)CCC2)cccc1[N+](=O)[O-] ZINC001176051460 1013622994 /nfs/dbraw/zinc/62/29/94/1013622994.db2.gz DZOVXIUQKRTRCT-AWEZNQCLSA-N 1 0 361.442 2.905 20 5 FFBDRO CCN(CCC[NH+](C)C)S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1C ZINC001211538538 966124759 /nfs/dbraw/zinc/12/47/59/966124759.db2.gz JUOCUDMQRUCVAE-UHFFFAOYSA-N 1 0 363.867 2.519 20 5 FFBDRO CC(C)(C)OC(=O)NC1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000065534878 966231746 /nfs/dbraw/zinc/23/17/46/966231746.db2.gz WTKSJLRDLHVDJU-UHFFFAOYSA-N 1 0 365.430 2.963 20 5 FFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000708701185 968879283 /nfs/dbraw/zinc/87/92/83/968879283.db2.gz HHHJWDYSWRLAOF-GDBMZVCRSA-N 1 0 368.437 2.675 20 5 FFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000708701193 968879473 /nfs/dbraw/zinc/87/94/73/968879473.db2.gz HHHJWDYSWRLAOF-ZBFHGGJFSA-N 1 0 368.437 2.675 20 5 FFBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CCC[C@H]2C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000729539337 969074112 /nfs/dbraw/zinc/07/41/12/969074112.db2.gz HRUMENHFXPITNE-AWEZNQCLSA-N 1 0 362.386 2.512 20 5 FFBDRO CCOc1cc(C(=O)NCc2ccc3c(c2)C[NH2+]C3)c([N+](=O)[O-])cc1OC ZINC000188762306 969702304 /nfs/dbraw/zinc/70/23/04/969702304.db2.gz KJZKQJAKHHRGNG-UHFFFAOYSA-N 1 0 371.393 2.535 20 5 FFBDRO C[C@H]1[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N)CC[N@@H+]1Cc1ccccc1 ZINC000311652738 970098310 /nfs/dbraw/zinc/09/83/10/970098310.db2.gz UNZVYTPBQZCPSV-SCLBCKFNSA-N 1 0 354.410 2.570 20 5 FFBDRO CC(C)[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1cnn(C)c1 ZINC000897080755 973222523 /nfs/dbraw/zinc/22/25/23/973222523.db2.gz BMNDJCUKQFDJAT-SFHVURJKSA-N 1 0 358.446 2.679 20 5 FFBDRO CC(C)c1ccc([C@@H]([NH3+])CNC(=O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000236717688 974051237 /nfs/dbraw/zinc/05/12/37/974051237.db2.gz ZQORGYKJKHZKEX-INIZCTEOSA-N 1 0 357.410 2.913 20 5 FFBDRO Cc1cc(C[NH+](C)C)ccc1NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000909615096 974321903 /nfs/dbraw/zinc/32/19/03/974321903.db2.gz VEMIRDCKWGPQIU-UHFFFAOYSA-N 1 0 367.409 2.953 20 5 FFBDRO Nc1ccc2c(c1)C[N@H+]([C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)CCO2 ZINC000925755796 975336495 /nfs/dbraw/zinc/33/64/95/975336495.db2.gz YMVREPUAXFRCSZ-CVEARBPZSA-N 1 0 357.414 2.752 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CCN(CC(F)(F)F)C3)CC2)cc1 ZINC000125922208 976175520 /nfs/dbraw/zinc/17/55/20/976175520.db2.gz MTTZQOIKTKNUKT-CQSZACIVSA-N 1 0 372.391 2.790 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCCN(c3ccccc3F)CC2)c1 ZINC000796579782 1014403302 /nfs/dbraw/zinc/40/33/02/1014403302.db2.gz VTVCKJJHRIKUCU-LJQANCHMSA-N 1 0 359.401 2.980 20 5 FFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CCOc3ncccc3C(F)(F)F)C2)c1 ZINC000877117130 1014478644 /nfs/dbraw/zinc/47/86/44/1014478644.db2.gz KEQUAJGAMWKIKB-UHFFFAOYSA-N 1 0 371.319 2.577 20 5 FFBDRO COc1ccc([C@@H](OC)[C@H](C)[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000877133533 1014483599 /nfs/dbraw/zinc/48/35/99/1014483599.db2.gz JXYRSTRFGYOLOH-UQPDNBCRSA-N 1 0 360.414 2.869 20 5 FFBDRO COc1ccc([C@@H]2CN(C(=O)/C=C\c3ccc([N+](=O)[O-])cc3)C[C@H]2[NH3+])cc1 ZINC000877236040 1014521121 /nfs/dbraw/zinc/52/11/21/1014521121.db2.gz UOEQPYCXAPQSEX-CLVIAMCISA-N 1 0 367.405 2.570 20 5 FFBDRO CC1(C)C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC2(CCCC2)O1 ZINC000190952025 980344648 /nfs/dbraw/zinc/34/46/48/980344648.db2.gz XKWYFVTYXCTOJY-MRXNPFEDSA-N 1 0 364.442 2.758 20 5 FFBDRO CC1(C)C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC2(CCCC2)O1 ZINC000190980171 980358741 /nfs/dbraw/zinc/35/87/41/980358741.db2.gz DGIWMBCPQFGDQY-OAHLLOKOSA-N 1 0 364.442 2.758 20 5 FFBDRO CC(C)[NH+](CCNC(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2)C(C)C ZINC000905391073 980428727 /nfs/dbraw/zinc/42/87/27/980428727.db2.gz MIJALTGCKAYYMC-UHFFFAOYSA-N 1 0 365.430 2.605 20 5 FFBDRO Cn1cc(CN2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000877742594 1014703287 /nfs/dbraw/zinc/70/32/87/1014703287.db2.gz FMBCPXUUWJFOHF-CRAIPNDOSA-N 1 0 355.442 2.521 20 5 FFBDRO COc1cc(C[NH2+][C@H]2CCN(C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000729681677 981284692 /nfs/dbraw/zinc/28/46/92/981284692.db2.gz HZVOAOXCBJQAIZ-KRWDZBQOSA-N 1 0 371.437 2.976 20 5 FFBDRO CONC(=O)C1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000877786770 1014727336 /nfs/dbraw/zinc/72/73/36/1014727336.db2.gz YCTPJJODLHHGGZ-UHFFFAOYSA-N 1 0 359.382 2.744 20 5 FFBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)CC1 ZINC000897570488 982278386 /nfs/dbraw/zinc/27/83/86/982278386.db2.gz UBCCEIYEIICIIX-CQSZACIVSA-N 1 0 356.426 2.887 20 5 FFBDRO C[N@@H+]1C[C@@]2(C)CN(C(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)C[C@@]2(C)C1 ZINC000913294071 984234478 /nfs/dbraw/zinc/23/44/78/984234478.db2.gz HZCOIQKLRNYCIT-BGYRXZFFSA-N 1 0 372.469 2.609 20 5 FFBDRO O=[N+]([O-])c1cn(CN2CCC(C[NH+]3CCCC3)CC2)nc1-c1ccncc1 ZINC000172908974 985711619 /nfs/dbraw/zinc/71/16/19/985711619.db2.gz LUEXAQRGCUBFOX-UHFFFAOYSA-N 1 0 370.457 2.619 20 5 FFBDRO CCN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C[C@@H](O)c1ccc(C)cc1 ZINC000173832178 985999254 /nfs/dbraw/zinc/99/92/54/985999254.db2.gz KZIKQXNLPOGQIC-LJQANCHMSA-N 1 0 371.437 2.922 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)Nc2c[nH+]ccc2N2CCN(C)CC2)c1C ZINC000888378924 986345920 /nfs/dbraw/zinc/34/59/20/986345920.db2.gz FFJHFQMWNJUZGC-UHFFFAOYSA-N 1 0 369.425 2.611 20 5 FFBDRO [NH3+]C1CCN(c2ccc(-c3noc(-c4cccc([N+](=O)[O-])c4)n3)cn2)CC1 ZINC000843145921 987169245 /nfs/dbraw/zinc/16/92/45/987169245.db2.gz VPSBOACCORQKKI-UHFFFAOYSA-N 1 0 366.381 2.634 20 5 FFBDRO COc1cccc([C@H](O)C2CC[NH+](CCn3c(C)ncc3[N+](=O)[O-])CC2)c1 ZINC000879065446 1015348914 /nfs/dbraw/zinc/34/89/14/1015348914.db2.gz WGLXOKMHIJXMIG-LJQANCHMSA-N 1 0 374.441 2.554 20 5 FFBDRO Cc1cc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(N)c([N+](=O)[O-])c1 ZINC000843828885 988437173 /nfs/dbraw/zinc/43/71/73/988437173.db2.gz WNMOYXQIFUNMSB-MRXNPFEDSA-N 1 0 368.437 2.832 20 5 FFBDRO Cc1c(C[NH2+][C@H]2CN(Cc3ccccc3)CC[C@H]2CO)cccc1[N+](=O)[O-] ZINC000763098056 989035391 /nfs/dbraw/zinc/03/53/91/989035391.db2.gz MFVQLDQTSRTEDE-PMACEKPBSA-N 1 0 369.465 2.876 20 5 FFBDRO CC(C)(C)[NH+]1CCC(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000194340444 989216858 /nfs/dbraw/zinc/21/68/58/989216858.db2.gz NJKVESHJMACOAL-UHFFFAOYSA-N 1 0 371.441 2.773 20 5 FFBDRO O=C(N[C@H]1CC[C@H]([NH2+]Cc2ccccc2C2CC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001034644338 990149043 /nfs/dbraw/zinc/14/90/43/990149043.db2.gz DVHKPXIHCYMLEE-PSBWJHGTSA-N 1 0 357.454 2.746 20 5 FFBDRO Cc1cc(C)c(C[NH+]2CC3(C2)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC3)c(C)c1 ZINC001035704104 990528448 /nfs/dbraw/zinc/52/84/48/990528448.db2.gz DMWSAFWKMVPRIR-IEBWSBKVSA-N 1 0 371.481 2.701 20 5 FFBDRO CC(C)[C@@H](C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[NH+]1CCCCC1 ZINC000920275776 990824804 /nfs/dbraw/zinc/82/48/04/990824804.db2.gz LDJCXPYDBSCUKK-IBGZPJMESA-N 1 0 374.485 2.754 20 5 FFBDRO COCc1cc([N+](=O)[O-])ccc1N1CC[NH+](CCOc2ccccc2)CC1 ZINC000174958810 991125549 /nfs/dbraw/zinc/12/55/49/991125549.db2.gz RNMQHVVIVKYAKI-UHFFFAOYSA-N 1 0 371.437 2.942 20 5 FFBDRO C[NH+](C)CCOc1cccc(CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c1 ZINC000068130571 991342839 /nfs/dbraw/zinc/34/28/39/991342839.db2.gz BHCGPLOBWWRHDW-DHZHZOJOSA-N 1 0 369.421 2.865 20 5 FFBDRO COc1ccc(NC(=O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c([N+](=O)[O-])c1 ZINC000180456681 991497238 /nfs/dbraw/zinc/49/72/38/991497238.db2.gz FTQAZSXUGFIQSZ-NSHDSACASA-N 1 0 374.353 2.801 20 5 FFBDRO CC(C)C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])CC1CC[NH+](C)CC1 ZINC000879704142 1015646434 /nfs/dbraw/zinc/64/64/34/1015646434.db2.gz MASNBQCNPTYBMI-UHFFFAOYSA-N 1 0 362.474 2.833 20 5 FFBDRO CC[N@H+](C/C=C/c1ccccc1)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001485031276 991821292 /nfs/dbraw/zinc/82/12/92/991821292.db2.gz KMTJLRLIEMSIAS-WOPDUGCTSA-N 1 0 371.481 2.926 20 5 FFBDRO CC1([NH+]2CCCCC2)CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000879948831 1015714620 /nfs/dbraw/zinc/71/46/20/1015714620.db2.gz MDLXUFPIMBPYNH-UHFFFAOYSA-N 1 0 360.458 2.874 20 5 FFBDRO CC[C@@H]([NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)[C@H]1CCCOC1 ZINC000880468097 1015843223 /nfs/dbraw/zinc/84/32/23/1015843223.db2.gz BSCJHVXKAVNSEZ-DZGCQCFKSA-N 1 0 363.414 2.688 20 5 FFBDRO Cn1cc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)c(-c2ccccc2)n1 ZINC000809733547 994583286 /nfs/dbraw/zinc/58/32/86/994583286.db2.gz YHYXANUXHMDUCW-SFHVURJKSA-N 1 0 352.394 2.819 20 5 FFBDRO Cc1nc(C)c(C[N@@H+]2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)o1 ZINC000809977044 994655635 /nfs/dbraw/zinc/65/56/35/994655635.db2.gz OKZHZBRRPXLBCI-UHFFFAOYSA-N 1 0 370.413 2.788 20 5 FFBDRO O=C(NC1CC1)OC[C@@H]1CCCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000810039272 994687478 /nfs/dbraw/zinc/68/74/78/994687478.db2.gz USBFIOUZBNRKIR-INIZCTEOSA-N 1 0 363.414 2.717 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)OCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000811445848 995148229 /nfs/dbraw/zinc/14/82/29/995148229.db2.gz WRMUGSNPRODSPS-INIZCTEOSA-N 1 0 369.349 2.759 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2ncn(C[N@@H+]3CCC[C@@H]([C@@H]4CCOC4)C3)n2)c1 ZINC000747823584 995554168 /nfs/dbraw/zinc/55/41/68/995554168.db2.gz HEYTZARVOLHIPZ-HZPDHXFCSA-N 1 0 357.414 2.559 20 5 FFBDRO CC[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H](C)[C@H](O)c1ccccc1 ZINC000812853530 995555712 /nfs/dbraw/zinc/55/57/12/995555712.db2.gz RMXSKMQXOFANBL-QSFXBCCZSA-N 1 0 374.437 2.779 20 5 FFBDRO COc1ccc(CC(=O)Nc2ccc(CC[NH+](C)C)cc2)cc1[N+](=O)[O-] ZINC000727999378 996109936 /nfs/dbraw/zinc/10/99/36/996109936.db2.gz NYDWMAUHMDXNKP-UHFFFAOYSA-N 1 0 357.410 2.889 20 5 FFBDRO CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(C[NH2+]CCc2cccc([N+](=O)[O-])c2)C1 ZINC000824050875 996780972 /nfs/dbraw/zinc/78/09/72/996780972.db2.gz NGUMWWVDRZQTJI-DNVCBOLYSA-N 1 0 361.442 2.984 20 5 FFBDRO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)c1ccc([N+](=O)[O-])n1C ZINC000824417403 996949830 /nfs/dbraw/zinc/94/98/30/996949830.db2.gz VVTIKWDJNGQLHQ-ZBFHGGJFSA-N 1 0 354.410 2.690 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H]2CCc3ccccc3OC2)c1 ZINC000844322410 997806676 /nfs/dbraw/zinc/80/66/76/997806676.db2.gz CGVJSMUZEVDXQO-MRXNPFEDSA-N 1 0 356.378 2.865 20 5 FFBDRO COc1cc(CN2CCC[C@@H]3CC[C@@]32C[NH3+])c([N+](=O)[O-])cc1OC(F)F ZINC000903796582 1016204744 /nfs/dbraw/zinc/20/47/44/1016204744.db2.gz ALNUWHPJTLXLSV-SJKOYZFVSA-N 1 0 371.384 2.908 20 5 FFBDRO CC(C)CC[NH+]1CCC(CNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000826933355 1016216296 /nfs/dbraw/zinc/21/62/96/1016216296.db2.gz UVNMCOZXWCIDTD-SFHVURJKSA-N 1 0 363.458 2.503 20 5 FFBDRO COc1ccc([C@@H]2[C@@H](COC(=O)c3cc([N+](=O)[O-])cn3C)CC[N@@H+]2C)cc1 ZINC000741120635 999709747 /nfs/dbraw/zinc/70/97/47/999709747.db2.gz JFJQTYCFIOZLFU-RDTXWAMCSA-N 1 0 373.409 2.792 20 5 FFBDRO CC(C)[N@H+](C)CC1CCN(Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)CC1 ZINC000742149326 999761568 /nfs/dbraw/zinc/76/15/68/999761568.db2.gz IBPBQDUHYLTHEB-UHFFFAOYSA-N 1 0 372.473 2.863 20 5 FFBDRO CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CC[NH2+][C@H]3CC[C@@H](C[N+](=O)[O-])C3)[C@@H]2C1 ZINC001168956495 1000012841 /nfs/dbraw/zinc/01/28/41/1000012841.db2.gz BFJGQNBLIVECTM-JKJDWNRSSA-N 1 0 353.463 2.524 20 5 FFBDRO CC(C)(C)OC(=O)N1CCC[C@]12CC[N@@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169011812 1000015662 /nfs/dbraw/zinc/01/56/62/1000015662.db2.gz MLGMBZGUDFVQEU-IIDMSEBBSA-N 1 0 353.463 2.907 20 5 FFBDRO Cc1cnc(C[NH3+])n1-c1nc(-c2ccc([N+](=O)[O-])cc2)nc(Cl)c1C ZINC001169029393 1000016240 /nfs/dbraw/zinc/01/62/40/1000016240.db2.gz YTZALZBWMIXSFW-UHFFFAOYSA-N 1 0 358.789 2.966 20 5 FFBDRO CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CC[C@H]1C[N@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169036019 1000016792 /nfs/dbraw/zinc/01/67/92/1000016792.db2.gz FCQMIMYBBKZDQW-RBGFHDKUSA-N 1 0 353.463 2.667 20 5 FFBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCCn3cnc(COc4cccnc4)c3C2)C1 ZINC001169018388 1000017207 /nfs/dbraw/zinc/01/72/07/1000017207.db2.gz AYLRYSOYPLOASX-CVEARBPZSA-N 1 0 371.441 2.508 20 5 FFBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCC3(CCOC[C@@H]3COCC3CC3)CC2)C1 ZINC001169018693 1000017280 /nfs/dbraw/zinc/01/72/80/1000017280.db2.gz BXGRXPNXYHWQIA-GUDVDZBRSA-N 1 0 366.502 2.977 20 5 FFBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCO[C@@]3(CCCN(c4ccccc4)C3)C2)C1 ZINC001169023982 1000017842 /nfs/dbraw/zinc/01/78/42/1000017842.db2.gz WHIDRJRIFODCBI-YZGWKJHDSA-N 1 0 359.470 2.803 20 5 FFBDRO CCn1cc(C[N@H+](Cc2c(C)nn(C)c2C)[C@H]2CC[C@H](C[N+](=O)[O-])C2)cn1 ZINC001169026338 1000018265 /nfs/dbraw/zinc/01/82/65/1000018265.db2.gz KYJPNWYJRCLXOU-WMZOPIPTSA-N 1 0 374.489 2.701 20 5 FFBDRO O=C(c1ccc(Cl)cc1)N1CCC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169049644 1000018641 /nfs/dbraw/zinc/01/86/41/1000018641.db2.gz XENIIFWDLLEVAN-WMLDXEAASA-N 1 0 365.861 2.933 20 5 FFBDRO COc1ccc2c(c1)c(CC[NH3+])c(C)n2-c1ncc([N+](=O)[O-])cc1OC ZINC001169174031 1000030743 /nfs/dbraw/zinc/03/07/43/1000030743.db2.gz AZMKRPFLSFXBMZ-UHFFFAOYSA-N 1 0 356.382 2.761 20 5 FFBDRO COc1ccc2c(c1)c(CC[NH3+])c(C)n2-c1cc([N+](=O)[O-])cnc1OC ZINC001169173477 1000030767 /nfs/dbraw/zinc/03/07/67/1000030767.db2.gz KKAYALGEYIIQMJ-UHFFFAOYSA-N 1 0 356.382 2.761 20 5 FFBDRO CC(=O)Nc1cc(-n2ccc(C[NH3+])c2)c([N+](=O)[O-])cc1Br ZINC001169726107 1000070271 /nfs/dbraw/zinc/07/02/71/1000070271.db2.gz RHVITWKRYJZOHZ-UHFFFAOYSA-N 1 0 353.176 2.565 20 5 FFBDRO COc1cccc(C(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)c1[N+](=O)[O-] ZINC000769921680 1000627579 /nfs/dbraw/zinc/62/75/79/1000627579.db2.gz RFMRZFDXNGYSDG-UHFFFAOYSA-N 1 0 357.410 2.937 20 5 FFBDRO Brc1ccc2ccc3ccc(NC[C@H]4COCC[NH2+]4)nc3c2n1 ZINC001170045848 1001430402 /nfs/dbraw/zinc/43/04/02/1001430402.db2.gz VUCIJZWAKVMIOU-ZDUSSCGKSA-N 1 0 373.254 2.946 20 5 FFBDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(N3CCNC3=O)cc2)cc1[N+](=O)[O-] ZINC000786805931 1001630711 /nfs/dbraw/zinc/63/07/11/1001630711.db2.gz AACHEAWMYQCJOV-ZDUSSCGKSA-N 1 0 370.409 2.984 20 5 FFBDRO C[C@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CCO1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788506605 1001813558 /nfs/dbraw/zinc/81/35/58/1001813558.db2.gz WSWKFJXZKPQYKG-YJBOKZPZSA-N 1 0 370.453 2.729 20 5 FFBDRO C[C@@H](C[NH+](C)C)Oc1cccc(I)c1[N+](=O)[O-] ZINC001229660254 1036810720 /nfs/dbraw/zinc/81/07/20/1036810720.db2.gz JGEJPYLRZRHYRS-QMMMGPOBSA-N 1 0 350.156 2.528 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CCOCC34CCCC4)CC2)cn1 ZINC001184364491 1002575992 /nfs/dbraw/zinc/57/59/92/1002575992.db2.gz ULEQNNVOPQFIKJ-QGZVFWFLSA-N 1 0 360.458 2.898 20 5 FFBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)[N@@H+]1CCC[C@H](C)C1 ZINC000791207743 1002618031 /nfs/dbraw/zinc/61/80/31/1002618031.db2.gz CQZJGEUIYDIDHM-STQMWFEESA-N 1 0 366.437 2.650 20 5 FFBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000791325889 1002654053 /nfs/dbraw/zinc/65/40/53/1002654053.db2.gz VHFVHHIOLSNFCN-AWEZNQCLSA-N 1 0 372.400 2.711 20 5 FFBDRO Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000774842790 1002866993 /nfs/dbraw/zinc/86/69/93/1002866993.db2.gz DKQYQVIECQFPBJ-UHFFFAOYSA-N 1 0 371.441 2.716 20 5 FFBDRO O=[N+]([O-])c1cnc2c(Cl)cccc2c1NCC[NH+]1CCSCC1 ZINC001185323691 1002919348 /nfs/dbraw/zinc/91/93/48/1002919348.db2.gz UXHXJPYUSRXSBZ-UHFFFAOYSA-N 1 0 352.847 2.679 20 5 FFBDRO O=C(OCc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1ccc2c[nH+]cn2c1 ZINC000792563846 1003057986 /nfs/dbraw/zinc/05/79/86/1003057986.db2.gz DQHSYBKILJUGQV-UHFFFAOYSA-N 1 0 365.305 2.650 20 5 FFBDRO COc1ccc(C[C@H](C)[NH2+]C[C@H]2COc3ccccc3O2)c([N+](=O)[O-])c1 ZINC001170297555 1003091830 /nfs/dbraw/zinc/09/18/30/1003091830.db2.gz PHNPLAZXHAJNED-BBRMVZONSA-N 1 0 358.394 2.964 20 5 FFBDRO COC(=O)c1cccc(C(=[NH2+])N[C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])c1 ZINC001170313002 1003104706 /nfs/dbraw/zinc/10/47/06/1003104706.db2.gz IBLKXTRYYRJIJF-LBPRGKRZSA-N 1 0 371.393 2.936 20 5 FFBDRO COc1ccc(C[C@H](C)[NH2+]Cc2cc(OC(C)C)ncn2)c([N+](=O)[O-])c1 ZINC001170324650 1003113589 /nfs/dbraw/zinc/11/35/89/1003113589.db2.gz RYNAQICXEHUWRA-ZDUSSCGKSA-N 1 0 360.414 2.901 20 5 FFBDRO COc1ccc(C[C@H](C)[N@H+]2CCc3ccc(=O)[nH]c3CC2)c([N+](=O)[O-])c1 ZINC001170353420 1003121500 /nfs/dbraw/zinc/12/15/00/1003121500.db2.gz XZJBKCFPHLDEKP-ZDUSSCGKSA-N 1 0 357.410 2.736 20 5 FFBDRO COC(=O)C[C@@H]1CCC[N@@H+]([C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170352679 1003121846 /nfs/dbraw/zinc/12/18/46/1003121846.db2.gz QCYBNLMULHDCTR-KBPBESRZSA-N 1 0 350.415 2.810 20 5 FFBDRO COc1ccc(C[C@@H](C)[N@@H+]2CCc3cnc(OC)cc3C2)c([N+](=O)[O-])c1 ZINC001170356074 1003123453 /nfs/dbraw/zinc/12/34/53/1003123453.db2.gz WFQQJNSFWKIRMM-CYBMUJFWSA-N 1 0 357.410 2.996 20 5 FFBDRO COC(=O)[C@@H]1C[C@H](C)C[N@@H+]([C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170345425 1003131555 /nfs/dbraw/zinc/13/15/55/1003131555.db2.gz KIIIUASYEWWOGH-GZBFAFLISA-N 1 0 350.415 2.665 20 5 FFBDRO COc1ccc(C[C@@H](C)[NH+]2CCC(Oc3ncccn3)CC2)c([N+](=O)[O-])c1 ZINC001170348594 1003134183 /nfs/dbraw/zinc/13/41/83/1003134183.db2.gz YWRSEHRLILKGBR-CQSZACIVSA-N 1 0 372.425 2.868 20 5 FFBDRO CO[C@@]1(C)C[C@@H]([NH2+]CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1(C)C ZINC001170385908 1003138165 /nfs/dbraw/zinc/13/81/65/1003138165.db2.gz KHWIETOWUGQMPI-CJNGLKHVSA-N 1 0 355.822 2.980 20 5 FFBDRO CCCc1ccc(C[NH+]2CCC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1 ZINC001001400975 1016783031 /nfs/dbraw/zinc/78/30/31/1016783031.db2.gz WRCMTALVFIUHRG-RTBURBONSA-N 1 0 359.470 2.633 20 5 FFBDRO O=[N+]([O-])c1cccc([N+](=O)[O-])c1NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000804497773 1003704301 /nfs/dbraw/zinc/70/43/01/1003704301.db2.gz IEELJUZJEGJGAQ-SFHVURJKSA-N 1 0 372.381 2.552 20 5 FFBDRO CC[N@H+](C)[C@H]1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC001198584209 1004683723 /nfs/dbraw/zinc/68/37/23/1004683723.db2.gz TUYHCJGRSDDDQN-NSHDSACASA-N 1 0 358.345 2.754 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](C)c1ncccc1C ZINC001198640316 1004688398 /nfs/dbraw/zinc/68/83/98/1004688398.db2.gz BECDSSXWHBFIKQ-ZDUSSCGKSA-N 1 0 358.398 2.986 20 5 FFBDRO COc1ccc(N2C[C@@H]([NH2+][C@H](C)c3ccc(N)c([N+](=O)[O-])c3)CC2=O)cc1 ZINC000850516816 1005819984 /nfs/dbraw/zinc/81/99/84/1005819984.db2.gz ZBZSZKBEZWDAFM-OCCSQVGLSA-N 1 0 370.409 2.642 20 5 FFBDRO O=C(COc1ccccc1[N+](=O)[O-])OC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000851464968 1005888738 /nfs/dbraw/zinc/88/87/38/1005888738.db2.gz AOYKIGVWGLWPTL-MRXNPFEDSA-N 1 0 356.378 2.791 20 5 FFBDRO CC[C@@H](C)C[N@H+](CC)CN1C(=O)N[C@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000748263745 1017006602 /nfs/dbraw/zinc/00/66/02/1017006602.db2.gz XPSWQEBPCFPYAY-FZKQIMNGSA-N 1 0 362.430 2.687 20 5 FFBDRO C[C@H]1CN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCN1C(=O)OC(C)(C)C ZINC000776591383 1005985125 /nfs/dbraw/zinc/98/51/25/1005985125.db2.gz LTYLUEWPJKEXFO-XJKSGUPXSA-N 1 0 365.430 2.569 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+](CCc2ccccc2)[C@H]2CCOC2)cc1 ZINC000776590370 1006002588 /nfs/dbraw/zinc/00/25/88/1006002588.db2.gz DBYIJSHMEOJQNN-PMACEKPBSA-N 1 0 356.422 2.962 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CC[C@H](c3ccccc3)[C@H](CO)C2)cc1 ZINC000852520673 1006063571 /nfs/dbraw/zinc/06/35/71/1006063571.db2.gz MKZYNTKKABROQY-DFQSSKMNSA-N 1 0 356.422 2.726 20 5 FFBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[C@H]([NH+]3CCN(CC4CC4)CC3)CC2)nc1 ZINC001170714417 1006070035 /nfs/dbraw/zinc/07/00/35/1006070035.db2.gz DGTWMPBVNCYMBC-QAQDUYKDSA-N 1 0 359.474 2.741 20 5 FFBDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000852600951 1006099663 /nfs/dbraw/zinc/09/96/63/1006099663.db2.gz GGDVCIJMHWNGDA-HNNXBMFYSA-N 1 0 360.458 2.783 20 5 FFBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000852897886 1006225766 /nfs/dbraw/zinc/22/57/66/1006225766.db2.gz GEDPLXZQIPCDMX-OAHLLOKOSA-N 1 0 360.458 2.513 20 5 FFBDRO Cc1cc(S(=O)(=O)NCCC[NH+](C(C)C)C(C)C)c(C)cc1[N+](=O)[O-] ZINC001187760382 1006235614 /nfs/dbraw/zinc/23/56/14/1006235614.db2.gz JYRXMYVJSNUKCE-UHFFFAOYSA-N 1 0 371.503 2.999 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H](c2ccncc2)C2(CO)CCC2)cc1 ZINC000853134550 1006309814 /nfs/dbraw/zinc/30/98/14/1006309814.db2.gz WIXHOVYSQVSQSQ-MSOLQXFVSA-N 1 0 357.410 2.517 20 5 FFBDRO O=[N+]([O-])c1cn(C[N@@H+]2CCC[C@H]2[C@@H]2CCCOC2)nc1-c1ccccn1 ZINC000853517711 1006424802 /nfs/dbraw/zinc/42/48/02/1006424802.db2.gz BUMWRRKLBAJKBQ-ZBFHGGJFSA-N 1 0 357.414 2.702 20 5 FFBDRO C[C@H]1CC2(C[N@@H+]1Cn1cc([N+](=O)[O-])c(-c3ccccn3)n1)CCOCC2 ZINC000853518564 1006425522 /nfs/dbraw/zinc/42/55/22/1006425522.db2.gz KBGWKHRSXUCRTH-AWEZNQCLSA-N 1 0 357.414 2.702 20 5 FFBDRO C[NH+]1CCC2(CCN2C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000747978768 1006435033 /nfs/dbraw/zinc/43/50/33/1006435033.db2.gz FTXGUINJXHAATM-UHFFFAOYSA-N 1 0 372.469 2.508 20 5 FFBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N[C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC000853912764 1006581837 /nfs/dbraw/zinc/58/18/37/1006581837.db2.gz QUPPQDIVHQJFJV-QZTJIDSGSA-N 1 0 359.426 2.853 20 5 FFBDRO CC1(c2nnc(-c3cccnc3)o2)C[NH+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000854082056 1006667257 /nfs/dbraw/zinc/66/72/57/1006667257.db2.gz RKWSSZFHTSUDHQ-UHFFFAOYSA-N 1 0 365.393 2.856 20 5 FFBDRO C[C@H]([NH2+]CCCNC(=O)c1cccc(F)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815592698 1006702772 /nfs/dbraw/zinc/70/27/72/1006702772.db2.gz PODSXADKRWFWOJ-LBPRGKRZSA-N 1 0 360.389 2.787 20 5 FFBDRO C[C@H](Cn1ncc2ccccc2c1=O)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815598997 1006704358 /nfs/dbraw/zinc/70/43/58/1006704358.db2.gz IRDNOOWGAHVTPJ-OLZOCXBDSA-N 1 0 367.409 2.626 20 5 FFBDRO C[C@H]([NH2+][C@H]1CCCN(C(=O)N2CCCC2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815625761 1006719014 /nfs/dbraw/zinc/71/90/14/1006719014.db2.gz LGDKCKSKIVGCQE-ZFWWWQNUSA-N 1 0 361.446 2.508 20 5 FFBDRO CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+]CCOc2ccccc2[N+](=O)[O-])C1 ZINC000776819181 1007425537 /nfs/dbraw/zinc/42/55/37/1007425537.db2.gz UEPLVEGOSHMUPC-CABCVRRESA-N 1 0 365.430 2.820 20 5 FFBDRO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000885891687 1007823871 /nfs/dbraw/zinc/82/38/71/1007823871.db2.gz WULWOSADQFOESA-MRXNPFEDSA-N 1 0 369.421 2.731 20 5 FFBDRO 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RPPPAQDXVSRPRD-HNNXBMFYSA-N 1 0 369.469 2.919 20 5 FFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC1(c2cnccn2)CCOCC1 ZINC001173226191 1012360224 /nfs/dbraw/zinc/36/02/24/1012360224.db2.gz VYNXCWFOIUBGTB-HNNXBMFYSA-N 1 0 356.426 2.654 20 5 FFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCc1ccc(CC(=O)N(C)C)cc1 ZINC001173229288 1012363098 /nfs/dbraw/zinc/36/30/98/1012363098.db2.gz SJNNQIVRUZJJGJ-MRXNPFEDSA-N 1 0 369.465 2.989 20 5 FFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC001173228529 1012365111 /nfs/dbraw/zinc/36/51/11/1012365111.db2.gz YVFYSBMWCUNEOL-QRQLOZEOSA-N 1 0 366.465 2.985 20 5 FFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@]12C[C@H]1CN(C(=O)c1ccco1)C2 ZINC001173213833 1012370236 /nfs/dbraw/zinc/37/02/36/1012370236.db2.gz LARXVLTVKISLRQ-RFUYNDQBSA-N 1 0 355.394 2.623 20 5 FFBDRO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N[C@H]1CC[N@@H+](C2CCC2)C1 ZINC001161175885 1032637180 /nfs/dbraw/zinc/63/71/80/1032637180.db2.gz NMQVXSKGRONAQM-JTQLQIEISA-N 1 0 368.821 2.859 20 5 FFBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)CC[C@H]21 ZINC000827330623 1017640786 /nfs/dbraw/zinc/64/07/86/1017640786.db2.gz QBULSIVHDZNGPY-CZUORRHYSA-N 1 0 372.450 2.885 20 5 FFBDRO CN(C)c1cc[nH+]c(CNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)c1 ZINC000927701447 1018629615 /nfs/dbraw/zinc/62/96/15/1018629615.db2.gz DADZYKKAVOVLRW-UHFFFAOYSA-N 1 0 366.324 2.587 20 5 FFBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000801860663 1019458494 /nfs/dbraw/zinc/45/84/94/1019458494.db2.gz NCSFWGYKWWLIRB-UPJWGTAASA-N 1 0 364.421 2.794 20 5 FFBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000801918109 1019511309 /nfs/dbraw/zinc/51/13/09/1019511309.db2.gz FNAIIAYSZFTPDV-UHFFFAOYSA-N 1 0 364.421 2.843 20 5 FFBDRO C[C@@]1(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)CC[N@H+](Cc2ccccc2)C1 ZINC000406048466 1032844019 /nfs/dbraw/zinc/84/40/19/1032844019.db2.gz XCACOWCCZUQMNO-LJQANCHMSA-N 1 0 354.410 2.571 20 5 FFBDRO CCCc1ccc(C[NH+]2CCC(C)(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1 ZINC001045437257 1019964775 /nfs/dbraw/zinc/96/47/75/1019964775.db2.gz JVIIRXPHSGFGQJ-QZTJIDSGSA-N 1 0 359.470 2.775 20 5 FFBDRO Cc1cccc(CCC[NH+]2CCC(C)(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 ZINC001045437456 1019966794 /nfs/dbraw/zinc/96/67/94/1019966794.db2.gz RXAMLGGRLPPIAP-QZTJIDSGSA-N 1 0 359.470 2.564 20 5 FFBDRO Cn1ccnc1[C@@H](N[C@@H]1Cc2ccccc2[C@H]1[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000902436127 1020201075 /nfs/dbraw/zinc/20/10/75/1020201075.db2.gz XJEQFUOPDJPMIA-QRVBRYPASA-N 1 0 363.421 2.632 20 5 FFBDRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C/C=C\c1ccccc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001048525092 1020275323 /nfs/dbraw/zinc/27/53/23/1020275323.db2.gz KRXNECZUUGADBP-DCZRNNARSA-N 1 0 369.465 2.724 20 5 FFBDRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC2(CCC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001048525290 1020275645 /nfs/dbraw/zinc/27/56/45/1020275645.db2.gz SJXSWRAJNCWRCC-REEYDVFISA-N 1 0 361.486 2.591 20 5 FFBDRO CCOC(=O)N1CCCN(Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)CC1 ZINC000777954596 1020296156 /nfs/dbraw/zinc/29/61/56/1020296156.db2.gz LVCMXWKSRRFQMG-UHFFFAOYSA-N 1 0 373.413 2.580 20 5 FFBDRO Cc1c(NC(=O)[C@H](C)N2C[C@]3(C)C[N@H+](C)C[C@]3(C)C2)cccc1[N+](=O)[O-] ZINC000931308087 1020414230 /nfs/dbraw/zinc/41/42/30/1020414230.db2.gz RCMAMRDEEGNNET-ZOCIIQOWSA-N 1 0 360.458 2.504 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)CN2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccccc2)cc1 ZINC000931492431 1020488700 /nfs/dbraw/zinc/48/87/00/1020488700.db2.gz XNFYSNQNHZPLDO-UFYCRDLUSA-N 1 0 353.422 2.587 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2C[C@@H]3COC[C@]3(c3ccccc3)C2)cc1 ZINC000931906276 1020628127 /nfs/dbraw/zinc/62/81/27/1020628127.db2.gz RTPVPQGQDUJYQJ-HOJAQTOUSA-N 1 0 354.406 2.528 20 5 FFBDRO COc1cc(Br)c(O[C@@H]2C[NH2+]CCC[C@@H]2F)c([N+](=O)[O-])c1 ZINC001217971411 1032924493 /nfs/dbraw/zinc/92/44/93/1032924493.db2.gz HSEFOMXVEIPVQD-CMPLNLGQSA-N 1 0 363.183 2.835 20 5 FFBDRO COc1cc([C@H](C)[NH2+]C2CCN(C[C@H]3CCCO3)CC2)cc([N+](=O)[O-])c1 ZINC000903096357 1020674590 /nfs/dbraw/zinc/67/45/90/1020674590.db2.gz BSSKFJZWTWLEJT-KBXCAEBGSA-N 1 0 363.458 2.897 20 5 FFBDRO O=[N+]([O-])c1cc(Br)c(F)cc1O[C@@H]1C[NH2+]CCC[C@@H]1F ZINC001217977247 1032930004 /nfs/dbraw/zinc/93/00/04/1032930004.db2.gz MZSWHHGEBUEBHL-QPUJVOFHSA-N 1 0 351.147 2.965 20 5 FFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@]1(c2cnn(C)c2)CCCO1 ZINC000903360434 1020805144 /nfs/dbraw/zinc/80/51/44/1020805144.db2.gz WMEIIPURLAHVSC-UGSOOPFHSA-N 1 0 362.405 2.694 20 5 FFBDRO O=c1ccc2ncc(O[C@H]3C[NH2+]CCC[C@H]3F)c3c4ccccc4n1c32 ZINC001217984481 1032933595 /nfs/dbraw/zinc/93/35/95/1032933595.db2.gz NANSPHJBPNPWPU-CJNGLKHVSA-N 1 0 351.381 2.908 20 5 FFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CC2(c3ccccc3)CCOCC2)c1 ZINC000749671371 1021018780 /nfs/dbraw/zinc/01/87/80/1021018780.db2.gz NTNXSEDTEDHZDV-IBGZPJMESA-N 1 0 356.422 2.966 20 5 FFBDRO CC[C@@H](C)NC(=O)c1cccc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000749676900 1021019805 /nfs/dbraw/zinc/01/98/05/1021019805.db2.gz MZQZMTVFQKIVJZ-KUHUBIRLSA-N 1 0 371.437 2.946 20 5 FFBDRO CCCCNC(=O)c1ccc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000749677686 1021019872 /nfs/dbraw/zinc/01/98/72/1021019872.db2.gz QGNCQKMKASUANZ-IBGZPJMESA-N 1 0 371.437 2.948 20 5 FFBDRO O=[N+]([O-])c1cnn(CCN2CCC(c3ccccc3)([NH+]3CCCC3)CC2)c1 ZINC000933548411 1021030105 /nfs/dbraw/zinc/03/01/05/1021030105.db2.gz UJBAPFNLGROGHB-UHFFFAOYSA-N 1 0 369.469 2.878 20 5 FFBDRO C[C@H](C1CC1)N(C)C(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000934042903 1021129137 /nfs/dbraw/zinc/12/91/37/1021129137.db2.gz DVOCZOACLHLCKI-CYBMUJFWSA-N 1 0 361.446 2.609 20 5 FFBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC001116331451 1021169245 /nfs/dbraw/zinc/16/92/45/1021169245.db2.gz QDWCLFVZAMLKFT-UGSOOPFHSA-N 1 0 358.442 2.725 20 5 FFBDRO CCC(C)(C)c1cc([N+](=O)[O-])c(O[C@H]2C[NH2+]CCOC2)c([N+](=O)[O-])c1 ZINC001218047002 1032970748 /nfs/dbraw/zinc/97/07/48/1032970748.db2.gz ZKGARUGHWLIMIU-LBPRGKRZSA-N 1 0 353.375 2.558 20 5 FFBDRO C[C@H]1C[C@@H](Oc2cc(I)ccc2[N+](=O)[O-])CC[NH2+]1 ZINC001218063312 1032974729 /nfs/dbraw/zinc/97/47/29/1032974729.db2.gz YJYJNWFOIPYPTI-WPRPVWTQSA-N 1 0 362.167 2.719 20 5 FFBDRO C[NH+]1CCC([C@@H]2CCN(C(=O)CCc3cc(F)ccc3[N+](=O)[O-])C2)CC1 ZINC000935086213 1021560035 /nfs/dbraw/zinc/56/00/35/1021560035.db2.gz YTJSKFNBTZCQNH-MRXNPFEDSA-N 1 0 363.433 2.857 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(C[N@@H+]2CC[C@@H](O)[C@H](CO)C2)o1 ZINC001118013600 1022019875 /nfs/dbraw/zinc/01/98/75/1022019875.db2.gz ZQPLRMJHPIGTQV-MEDUHNTESA-N 1 0 366.801 2.683 20 5 FFBDRO [NH3+][C@H]1CCCC[C@@H]1C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001118263200 1022147755 /nfs/dbraw/zinc/14/77/55/1022147755.db2.gz DEZIDZCCUHNICI-RYUDHWBXSA-N 1 0 374.363 2.659 20 5 FFBDRO C[C@@H](Oc1ccccc1N1CC[NH2+]CC1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001218212596 1033050676 /nfs/dbraw/zinc/05/06/76/1033050676.db2.gz DDTFRLCOQKCIKT-CYBMUJFWSA-N 1 0 371.393 2.873 20 5 FFBDRO O=[N+]([O-])c1cc(O[C@H]2CCC3(C[NH2+]C3)C2)ccc1I ZINC001218238515 1033063478 /nfs/dbraw/zinc/06/34/78/1033063478.db2.gz PVKFPAUHRMMOGI-JTQLQIEISA-N 1 0 374.178 2.720 20 5 FFBDRO C[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C[C@@]1(O)CCc2ccccc21 ZINC000829319738 1033100397 /nfs/dbraw/zinc/10/03/97/1033100397.db2.gz SSLVHUGNRVXHKC-FQEVSTJZSA-N 1 0 370.405 2.727 20 5 FFBDRO Cc1ccc(C(=O)N[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1[N+](=O)[O-] ZINC001122402680 1023247655 /nfs/dbraw/zinc/24/76/55/1023247655.db2.gz YGTPWSDNKKSVES-JXFKEZNVSA-N 1 0 367.405 2.889 20 5 FFBDRO C[C@H](COc1c(F)cccc1F)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001120609528 1023384268 /nfs/dbraw/zinc/38/42/68/1023384268.db2.gz DPQPLBNZHIHUOG-BDJLRTHQSA-N 1 0 352.337 2.964 20 5 FFBDRO COc1cc(C(=O)c2ccc(C)cc2)cc([N+](=O)[O-])c1O[C@H]1C[NH2+][C@H]1C ZINC001218382994 1033130836 /nfs/dbraw/zinc/13/08/36/1033130836.db2.gz FJUOQAYRILOBQG-SJCJKPOMSA-N 1 0 356.378 2.882 20 5 FFBDRO CCOc1cc(C[N@@H+]2CCCC[C@@H]2CN2CCCC2=O)ccc1[N+](=O)[O-] ZINC000755001878 1023552464 /nfs/dbraw/zinc/55/24/64/1023552464.db2.gz MTKXLJOBNHEUIZ-MRXNPFEDSA-N 1 0 361.442 2.970 20 5 FFBDRO C[C@H]1C[NH2+]CC[C@H]1Oc1ccc(I)c([N+](=O)[O-])c1 ZINC001218414656 1033146298 /nfs/dbraw/zinc/14/62/98/1033146298.db2.gz MCKYLWYWFYVHJO-QPUJVOFHSA-N 1 0 362.167 2.576 20 5 FFBDRO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000755316236 1023590155 /nfs/dbraw/zinc/59/01/55/1023590155.db2.gz LVZWWNIUNYILJQ-ZDRDQBANSA-N 1 0 373.453 2.758 20 5 FFBDRO O=[N+]([O-])c1c2c(cc(Br)c1O[C@H]1[C@@H]3CC[C@H]1[NH2+]C3)CCC2 ZINC001218443719 1033158667 /nfs/dbraw/zinc/15/86/67/1033158667.db2.gz BQVVNDOTSGAKKH-IUPBHXKESA-N 1 0 353.216 2.975 20 5 FFBDRO Cc1c(CO)cc([N+](=O)[O-])c(NC[C@H]2CC[N@@H+](CC(C)C)C2)c1[N+](=O)[O-] ZINC000756980332 1023776567 /nfs/dbraw/zinc/77/65/67/1023776567.db2.gz PCTFKRMKNMTIKN-CYBMUJFWSA-N 1 0 366.418 2.694 20 5 FFBDRO O=[N+]([O-])c1ccc(I)cc1O[C@@H]1CC[C@H]2C[NH2+]C[C@@H]21 ZINC001218463267 1033168616 /nfs/dbraw/zinc/16/86/16/1033168616.db2.gz ZSYQARUEPQBXDJ-PTOFAABTSA-N 1 0 374.178 2.576 20 5 FFBDRO COC1CC[NH+](C(C)(C)CNC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])CC1 ZINC000758483249 1024135667 /nfs/dbraw/zinc/13/56/67/1024135667.db2.gz AWIFNXMSJPIOJJ-UHFFFAOYSA-N 1 0 367.421 2.662 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1CCCCC12CC[NH2+]CC2 ZINC001121933604 1024182451 /nfs/dbraw/zinc/18/24/51/1024182451.db2.gz PPBQNCSRKAOFIG-MRXNPFEDSA-N 1 0 361.442 2.780 20 5 FFBDRO C[C@@H]1[NH2+]CCn2c(C(=O)N(Cc3ccccc3[N+](=O)[O-])C3CC3)ccc21 ZINC001122027576 1024270481 /nfs/dbraw/zinc/27/04/81/1024270481.db2.gz YAIISDBEJMNTKJ-ZDUSSCGKSA-N 1 0 354.410 2.865 20 5 FFBDRO CC[NH+](CC)CC[C@H](C)NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001124128085 1024301230 /nfs/dbraw/zinc/30/12/30/1024301230.db2.gz KHGQCQJWRPDQDU-AWEZNQCLSA-N 1 0 359.430 2.631 20 5 FFBDRO COc1c[nH+]ccc1N1CCN(c2ccc(C(C)=O)cc2[N+](=O)[O-])CC1 ZINC000795286970 1025446381 /nfs/dbraw/zinc/44/63/81/1025446381.db2.gz HBCMBJRAUXVZEC-UHFFFAOYSA-N 1 0 356.382 2.528 20 5 FFBDRO Cc1cc(NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)ccc1C[NH+](C)C ZINC000838285071 1026300557 /nfs/dbraw/zinc/30/05/57/1026300557.db2.gz RTTPOSRBKQFFLF-UHFFFAOYSA-N 1 0 367.409 2.953 20 5 FFBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC001141534344 1026525891 /nfs/dbraw/zinc/52/58/91/1026525891.db2.gz MJIMBMVGWNUVIM-SECBINFHSA-N 1 0 358.801 2.574 20 5 FFBDRO COc1ccc(C[NH2+]CC2(CNC(=O)OC(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000838916081 1026535947 /nfs/dbraw/zinc/53/59/47/1026535947.db2.gz RUOXTQPJMYYHNF-UHFFFAOYSA-N 1 0 365.430 2.998 20 5 FFBDRO COC(=O)c1ccnc(-n2c(-c3ccccc3)cnc2[C@H](C)[NH3+])c1[N+](=O)[O-] ZINC001159595476 1027440194 /nfs/dbraw/zinc/44/01/94/1027440194.db2.gz MDYWWHYTKBAWQP-NSHDSACASA-N 1 0 367.365 2.649 20 5 FFBDRO CC[C@@H](Nc1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-])c1ccccc1C ZINC001160033273 1027568088 /nfs/dbraw/zinc/56/80/88/1027568088.db2.gz NOYBJAKQAWOWOS-OAHLLOKOSA-N 1 0 356.430 2.666 20 5 FFBDRO [NH3+]Cc1ccc2cn(-c3cc4ncnc(Cl)c4cc3[N+](=O)[O-])nc2c1 ZINC001160140545 1027606871 /nfs/dbraw/zinc/60/68/71/1027606871.db2.gz GPCSLGBAEQNXAT-UHFFFAOYSA-N 1 0 354.757 2.989 20 5 FFBDRO [NH3+]C[C@@H]1COc2ccccc2N1C(F)(F)c1cc([N+](=O)[O-])cnc1Cl ZINC001160200355 1027635183 /nfs/dbraw/zinc/63/51/83/1027635183.db2.gz OUQKNFBKHHTVRS-SNVBAGLBSA-N 1 0 370.743 2.919 20 5 FFBDRO COC(=O)C1(Nc2cccc([N+](=O)[O-])n2)CC[NH+](Cc2ccccc2)CC1 ZINC001160301604 1027664735 /nfs/dbraw/zinc/66/47/35/1027664735.db2.gz VBPCHUUIRCBYQA-UHFFFAOYSA-N 1 0 370.409 2.610 20 5 FFBDRO COc1nc(C)c([N+](=O)[O-])c(-n2cc(C(C)(C)C[NH3+])c3ccccc32)n1 ZINC001160842207 1027898556 /nfs/dbraw/zinc/89/85/56/1027898556.db2.gz DGZJQQAMHMSSQA-UHFFFAOYSA-N 1 0 355.398 2.882 20 5 FFBDRO [NH3+]Cc1cc2ccncc2n1-c1cc2ncnc(Cl)c2cc1[N+](=O)[O-] ZINC001160958882 1027948674 /nfs/dbraw/zinc/94/86/74/1027948674.db2.gz CVOSCTXERGPJMZ-UHFFFAOYSA-N 1 0 354.757 2.989 20 5 FFBDRO COc1cnc(NCC2CC[NH+](Cc3ccccn3)CC2)c([N+](=O)[O-])c1 ZINC001161244065 1028090575 /nfs/dbraw/zinc/09/05/75/1028090575.db2.gz ZYLBDIITBVYYRY-UHFFFAOYSA-N 1 0 357.414 2.718 20 5 FFBDRO CC(C)(C)[NH+]1CCN(c2c3cc([N+](=O)[O-])ccc3ncc2[N+](=O)[O-])CC1 ZINC001162226438 1028474909 /nfs/dbraw/zinc/47/49/09/1028474909.db2.gz LWMJLGBVCTYKIY-UHFFFAOYSA-N 1 0 359.386 2.972 20 5 FFBDRO O=[N+]([O-])c1ccc2ncnc(N3CC[N@@H+]4CCc5ccccc5[C@H]4C3)c2c1 ZINC001155093162 1028576659 /nfs/dbraw/zinc/57/66/59/1028576659.db2.gz YYYNCEMQPQFAIU-LJQANCHMSA-N 1 0 361.405 2.957 20 5 FFBDRO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC001155402923 1028721174 /nfs/dbraw/zinc/72/11/74/1028721174.db2.gz YKCVBMBDGNIOIR-ZUZCIYMTSA-N 1 0 354.794 2.516 20 5 FFBDRO CSc1nc(Cl)nc(Nc2ccc([C@H](C[NH3+])CO)cc2)c1[N+](=O)[O-] ZINC001163053317 1028775203 /nfs/dbraw/zinc/77/52/03/1028775203.db2.gz POOKFKQUBXECLS-SECBINFHSA-N 1 0 369.834 2.538 20 5 FFBDRO O=[N+]([O-])c1cc(-c2ccc(N[C@H]3CCO[C@]4(CC[NH2+]C4)C3)nn2)ccc1F ZINC001155624822 1028823659 /nfs/dbraw/zinc/82/36/59/1028823659.db2.gz IXHFYJRZOIRLEM-SCLBCKFNSA-N 1 0 373.388 2.514 20 5 FFBDRO O=[N+]([O-])c1cc(F)cc2ccc(NC[C@@H]3CO[C@@]4(C3)CCC[NH2+]C4)nc21 ZINC001163279541 1028869812 /nfs/dbraw/zinc/86/98/12/1028869812.db2.gz NBMLATDFHNLTNX-KZULUSFZSA-N 1 0 360.389 2.853 20 5 FFBDRO O=[N+]([O-])c1ccc2nc(Cl)c(N[C@@H]3CCO[C@]4(CC[NH2+]C4)C3)nc2c1 ZINC001163313532 1028886512 /nfs/dbraw/zinc/88/65/12/1028886512.db2.gz XYJBEDRSMMRSKD-QLJPJBMISA-N 1 0 363.805 2.514 20 5 FFBDRO CCOC(=O)c1ccnc(N[C@@H]2CC[N@@H+](C(C)C)C[C@H]2C)c1[N+](=O)[O-] ZINC001163371324 1028907457 /nfs/dbraw/zinc/90/74/57/1028907457.db2.gz ONXQOCOZUPGKEB-TZMCWYRMSA-N 1 0 350.419 2.697 20 5 FFBDRO Cc1nc(N[C@H]2C[NH+]3CCC2CC3)c([N+](=O)[O-])c(C)c1Br ZINC001163394257 1028916172 /nfs/dbraw/zinc/91/61/72/1028916172.db2.gz GUFFWKGPLXXWID-NSHDSACASA-N 1 0 355.236 2.875 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])cnc1-n1c(C[NH3+])cc2cc(Cl)ccc21 ZINC001155989900 1029004598 /nfs/dbraw/zinc/00/45/98/1029004598.db2.gz RKBJBGWQWYORLB-UHFFFAOYSA-N 1 0 360.757 2.832 20 5 FFBDRO O=[N+]([O-])c1c(N2CC[NH+](CCCCCO)CC2)cccc1C(F)(F)F ZINC001163831755 1029083626 /nfs/dbraw/zinc/08/36/26/1029083626.db2.gz VJCQJSSVQXAALO-UHFFFAOYSA-N 1 0 361.364 2.898 20 5 FFBDRO Cc1c(C)c(N2CCC(COCC[NH+]3CCCC3)CC2)ncc1[N+](=O)[O-] ZINC001163881271 1029101235 /nfs/dbraw/zinc/10/12/35/1029101235.db2.gz AFAFYIODUSIZFS-UHFFFAOYSA-N 1 0 362.474 2.935 20 5 FFBDRO [NH3+]Cc1cc2cc(Cl)ccc2n1-c1c[n+]([O-])c(Cl)cc1[N+](=O)[O-] ZINC001163896425 1029106507 /nfs/dbraw/zinc/10/65/07/1029106507.db2.gz FDLWAIZQSYJXFU-UHFFFAOYSA-N 1 0 353.165 2.938 20 5 FFBDRO [NH3+]Cc1cnc2c(ccn2-c2nc(Cl)nc3ccc([N+](=O)[O-])cc32)c1 ZINC001156593645 1029261598 /nfs/dbraw/zinc/26/15/98/1029261598.db2.gz LCOKGYQEHKICPY-UHFFFAOYSA-N 1 0 354.757 2.989 20 5 FFBDRO O=[N+]([O-])c1cnc(Cl)nc1N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC001165086685 1029374698 /nfs/dbraw/zinc/37/46/98/1029374698.db2.gz OAJMABLYWAEDDP-DZGCQCFKSA-N 1 0 359.817 2.749 20 5 FFBDRO CSc1nc(Cl)c([N+](=O)[O-])c(-n2nc(C[NH3+])c3ccccc32)n1 ZINC001156855802 1029378869 /nfs/dbraw/zinc/37/88/69/1029378869.db2.gz HDFAMEZBAXGZKG-UHFFFAOYSA-N 1 0 350.791 2.558 20 5 FFBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1NCCC[N@@H+]1CCCC[C@H]1C ZINC001156928914 1029408333 /nfs/dbraw/zinc/40/83/33/1029408333.db2.gz QXBXIGOOSTVOPJ-CYBMUJFWSA-N 1 0 350.419 2.843 20 5 FFBDRO CC(C)(C)OC(=O)[C@H](CCCC[NH3+])Nc1cc(Cl)ncc1[N+](=O)[O-] ZINC001157166286 1029489361 /nfs/dbraw/zinc/48/93/61/1029489361.db2.gz ZKVUCYVVBZAGRN-JTQLQIEISA-N 1 0 358.826 2.894 20 5 FFBDRO Cc1nc(N(c2ncnc3ccccc32)C2CC[NH2+]CC2)ncc1[N+](=O)[O-] ZINC001157329012 1029554935 /nfs/dbraw/zinc/55/49/35/1029554935.db2.gz OKHUTCNHMDZBEL-UHFFFAOYSA-N 1 0 365.397 2.527 20 5 FFBDRO CCOC(=O)CN(CCC[NH3+])c1ccc2c(ccc(Cl)c2[N+](=O)[O-])n1 ZINC001157549830 1029614903 /nfs/dbraw/zinc/61/49/03/1029614903.db2.gz OSGGSCADYJTRNE-UHFFFAOYSA-N 1 0 366.805 2.515 20 5 FFBDRO CCOC(=O)CN(CCC[NH3+])c1nc2ccccc2c(Cl)c1[N+](=O)[O-] ZINC001157549434 1029615218 /nfs/dbraw/zinc/61/52/18/1029615218.db2.gz UHLSZXICGUMMSB-UHFFFAOYSA-N 1 0 366.805 2.515 20 5 FFBDRO CCOC(=O)c1ccnc(N(C)CC[N@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC001157556656 1029617561 /nfs/dbraw/zinc/61/75/61/1029617561.db2.gz MRADLAKCWQJDDZ-UHFFFAOYSA-N 1 0 372.425 2.735 20 5 FFBDRO CCC[NH+]1C[C@H]2CN(C(F)(F)c3cc([N+](=O)[O-])cnc3Cl)C[C@@H]2C1 ZINC001157692926 1029646688 /nfs/dbraw/zinc/64/66/88/1029646688.db2.gz ZLRYGFRHAWKIRD-QWRGUYRKSA-N 1 0 360.792 2.966 20 5 FFBDRO O=C(NCCC[NH2+]Cc1ccccc1Oc1ccccc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157775082 1029661044 /nfs/dbraw/zinc/66/10/44/1029661044.db2.gz LJIMYJKRJHRQEJ-QZTJIDSGSA-N 1 0 369.421 2.740 20 5 FFBDRO CCS(=O)(=O)N(c1ccc2ccc3cccnc3c2n1)C1CC[NH2+]CC1 ZINC001157894682 1029680999 /nfs/dbraw/zinc/68/09/99/1029680999.db2.gz HVZMBZUIEVWFJU-UHFFFAOYSA-N 1 0 370.478 2.691 20 5 FFBDRO CC(C)(C)[C@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@@H]1O ZINC000782531055 1029734882 /nfs/dbraw/zinc/73/48/82/1029734882.db2.gz LGLXVEGCKHWEER-BBRMVZONSA-N 1 0 367.421 2.791 20 5 FFBDRO COc1ccc2c(c1)c(CC[NH3+])c(C)n2-c1ccc([N+](=O)[O-])c(OC)n1 ZINC001158293322 1029788138 /nfs/dbraw/zinc/78/81/38/1029788138.db2.gz VSBTWUBTMSJEGI-UHFFFAOYSA-N 1 0 356.382 2.761 20 5 FFBDRO COc1ccc2c(c1)c(CC[NH3+])c(C)n2-c1nc(Cl)ncc1[N+](=O)[O-] ZINC001158293326 1029788385 /nfs/dbraw/zinc/78/83/85/1029788385.db2.gz VWARACNFNBBFPF-UHFFFAOYSA-N 1 0 361.789 2.800 20 5 FFBDRO COc1ccnc(N(c2cc([N+](=O)[O-])c3cc[nH]c3n2)C2CC[NH2+]CC2)c1 ZINC001158322897 1029797588 /nfs/dbraw/zinc/79/75/88/1029797588.db2.gz ODZLLNNJGSCKFO-UHFFFAOYSA-N 1 0 368.397 2.765 20 5 FFBDRO C[N@H+](C1CN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C1)[C@@H]1CCOC1 ZINC001165205977 1029893479 /nfs/dbraw/zinc/89/34/79/1029893479.db2.gz CGMRWQVHEMHUNI-OAHLLOKOSA-N 1 0 354.410 2.566 20 5 FFBDRO COc1cc(N2CCC3(CC[NH2+]CC3)[C@H]2C(F)(F)F)ncc1[N+](=O)[O-] ZINC001165266475 1029921216 /nfs/dbraw/zinc/92/12/16/1029921216.db2.gz OUHMOGKCDVRGRM-ZDUSSCGKSA-N 1 0 360.336 2.509 20 5 FFBDRO CCOc1nc(N2CCC3(CC[NH2+]CC3)[C@@H]2C(F)(F)F)ccc1[N+](=O)[O-] ZINC001165272218 1029925389 /nfs/dbraw/zinc/92/53/89/1029925389.db2.gz ZGMBYCPMHSVNDC-CQSZACIVSA-N 1 0 374.363 2.899 20 5 FFBDRO COc1cc2ncnc(N3CCCC[C@H]3C3CC[NH2+]CC3)c2cc1[N+](=O)[O-] ZINC001165323713 1029946431 /nfs/dbraw/zinc/94/64/31/1029946431.db2.gz MNKJDSINAJDRJF-INIZCTEOSA-N 1 0 371.441 2.905 20 5 FFBDRO C[C@@H]1CCC[C@@](CNC(=O)Cc2cccc(F)c2[N+](=O)[O-])([NH+](C)C)C1 ZINC001142066934 1029955525 /nfs/dbraw/zinc/95/55/25/1029955525.db2.gz ZYQFPTPEZDIGRV-FZKQIMNGSA-N 1 0 351.422 2.903 20 5 FFBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(OCC[NH3+])c1 ZINC000841285022 1030157269 /nfs/dbraw/zinc/15/72/69/1030157269.db2.gz FZLAJPIAZPVIRN-UHFFFAOYSA-N 1 0 358.398 2.639 20 5 FFBDRO C[C@H]1CC2(C[N@@H+]1CN1CCN(c3ccccc3[N+](=O)[O-])C1=O)CCOCC2 ZINC000842638382 1030865229 /nfs/dbraw/zinc/86/52/29/1030865229.db2.gz KLOYJDHCHBVKNP-HNNXBMFYSA-N 1 0 374.441 2.685 20 5 FFBDRO O=C(N[C@@H]1CC[NH2+]C2(CCC2)C1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000843508817 1031436018 /nfs/dbraw/zinc/43/60/18/1031436018.db2.gz YUKXEVRXKVQPIR-CQSZACIVSA-N 1 0 358.442 2.600 20 5 FFBDRO CCOC(=O)C1(C[NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CCC1 ZINC001204945708 1031473921 /nfs/dbraw/zinc/47/39/21/1031473921.db2.gz HMJPGUSEJSRJJZ-CYBMUJFWSA-N 1 0 363.414 2.635 20 5 FFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(C[NH2+]CCC2CCCCCC2)CC1 ZINC001205229552 1031613238 /nfs/dbraw/zinc/61/32/38/1031613238.db2.gz DXBFKIVLHZDIPP-QZTJIDSGSA-N 1 0 351.491 2.840 20 5 FFBDRO C[C@]12CN(C(=O)c3cc([N+](=O)[O-])c[nH]3)C[C@]1(C)C[NH+](Cc1ccccc1)C2 ZINC001150129261 1031663858 /nfs/dbraw/zinc/66/38/58/1031663858.db2.gz XIAIAYUQLPPADW-PMACEKPBSA-N 1 0 368.437 2.907 20 5 FFBDRO Cc1nn(C[N@H+]2CCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@H]2O)c2ncc([N+](=O)[O-])cc12 ZINC000799153842 1031669695 /nfs/dbraw/zinc/66/96/95/1031669695.db2.gz AXONWFPFLWTVEB-DUOKCRBOSA-N 1 0 373.457 2.867 20 5 FFBDRO C[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1ccc(N2CCNC2=O)cc1 ZINC000829729401 1033307482 /nfs/dbraw/zinc/30/74/82/1033307482.db2.gz AVKZAPCIQYQBBD-AWEZNQCLSA-N 1 0 370.409 2.854 20 5 FFBDRO C[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1ccc(N2CCNC2=O)cc1 ZINC000829730791 1033309503 /nfs/dbraw/zinc/30/95/03/1033309503.db2.gz KMUVUZMGULLQPR-CQSZACIVSA-N 1 0 370.409 2.854 20 5 FFBDRO CC(C)(CC[NH+]1CCCCCC1)NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000829823857 1033357156 /nfs/dbraw/zinc/35/71/56/1033357156.db2.gz FMVSOGXAYMJJPB-KRWDZBQOSA-N 1 0 363.458 2.789 20 5 FFBDRO C[C@H]([NH2+]CCCON1C(=O)c2ccccc2C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000830172895 1033491980 /nfs/dbraw/zinc/49/19/80/1033491980.db2.gz LPMRLQIDIWVIMH-ZDUSSCGKSA-N 1 0 369.377 2.863 20 5 FFBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)OCCCN1CC[NH+](C(C)C)CC1 ZINC000830369578 1033589499 /nfs/dbraw/zinc/58/94/99/1033589499.db2.gz MXHYVYBPHAYJGP-UHFFFAOYSA-N 1 0 367.421 2.615 20 5 FFBDRO C[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CC(NC(=O)OC(C)(C)C)C1 ZINC000831237286 1034005315 /nfs/dbraw/zinc/00/53/15/1034005315.db2.gz PEOBDHJTIVZPQI-AVVWSFFYSA-N 1 0 365.430 2.616 20 5 FFBDRO C[C@@H](Oc1ccc(CC(=[NH2+])NO)cc1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001225543872 1034298205 /nfs/dbraw/zinc/29/82/05/1034298205.db2.gz MJYLRGJQQQQGMO-SNVBAGLBSA-N 1 0 359.338 2.962 20 5 FFBDRO COCCC[NH+]1CCC(Oc2c([N+](=O)[O-])cc(C)cc2[N+](=O)[O-])CC1 ZINC001225594594 1034326058 /nfs/dbraw/zinc/32/60/58/1034326058.db2.gz RJWLEDHHCHFOQR-UHFFFAOYSA-N 1 0 353.375 2.691 20 5 FFBDRO COC(=O)c1cccc([N+](=O)[O-])c1O[C@@H]1CC[N@@H+]([C@@H](C)c2ccccn2)C1 ZINC001227123810 1034939887 /nfs/dbraw/zinc/93/98/87/1034939887.db2.gz HHCRRWAUPFAIKH-UONOGXRCSA-N 1 0 371.393 2.991 20 5 FFBDRO C[C@H]([NH2+][C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834822568 1035457026 /nfs/dbraw/zinc/45/70/26/1035457026.db2.gz DUGYIUJKBNCNGC-CNXAATOLSA-N 1 0 362.430 2.693 20 5 FFBDRO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC001536567954 1070008456 /nfs/dbraw/zinc/00/84/56/1070008456.db2.gz MUMULDYDLUBSKX-CYBMUJFWSA-N 1 0 370.247 2.846 20 5 FFBDRO C[NH+]1CCC2(CC[C@@H](COc3ncnc4cc([N+](=O)[O-])ccc43)O2)CC1 ZINC001229399125 1036650903 /nfs/dbraw/zinc/65/09/03/1036650903.db2.gz FCCSHQLOHWRLBW-AWEZNQCLSA-N 1 0 358.398 2.560 20 5 FFBDRO COC(=O)c1cnc(OC2CCN(c3cc(C)ccn3)CC2)c([N+](=O)[O-])c1 ZINC001233867597 1036796326 /nfs/dbraw/zinc/79/63/26/1036796326.db2.gz VOCURDYBNYTRCC-UHFFFAOYSA-N 1 0 372.381 2.528 20 5 FFBDRO C[NH+](C)CCCC(C)(C)NC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000836855834 1036893519 /nfs/dbraw/zinc/89/35/19/1036893519.db2.gz XSSQWIRODGBGKR-UHFFFAOYSA-N 1 0 366.418 2.672 20 5 FFBDRO Cc1nc2c(c(O[C@H](C[N+](=O)[O-])C3CC3)n1)CCN(Cc1ccccc1)C2 ZINC001229896477 1036965461 /nfs/dbraw/zinc/96/54/61/1036965461.db2.gz PQGSLJKRWSTGHH-LJQANCHMSA-N 1 0 368.437 2.777 20 5 FFBDRO O=[N+]([O-])c1cc(O[C@@H]2C[NH+]3CCC2CC3)ccc1I ZINC001229951737 1036995285 /nfs/dbraw/zinc/99/52/85/1036995285.db2.gz RVKJHTLTMLQWGS-CYBMUJFWSA-N 1 0 374.178 2.672 20 5 FFBDRO C[N@@H+]1[C@@H]2C[C@@H](Oc3cnc4ccc(=O)n5c6ccccc6c3c45)[C@H]1CC(=O)C2 ZINC001234710499 1037150878 /nfs/dbraw/zinc/15/08/78/1037150878.db2.gz JHXGDWKIBCQBHQ-JBBXEZCESA-N 1 0 373.412 2.622 20 5 FFBDRO CC[N@@H+]1CC[C@@H](Oc2c3nccc4c5ccccc5n(c43)c(=O)c2OC)C1 ZINC001234718997 1037155028 /nfs/dbraw/zinc/15/50/28/1037155028.db2.gz WOZCBZIVTRBZQH-CYBMUJFWSA-N 1 0 363.417 2.920 20 5 FFBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(OC2CC(C)(C)[NH+](C)C(C)(C)C2)n1 ZINC001234913410 1037239523 /nfs/dbraw/zinc/23/95/23/1037239523.db2.gz YOCQFLXLXVGPOS-UHFFFAOYSA-N 1 0 365.434 2.682 20 5 FFBDRO O=[N+]([O-])c1cc2c[nH]nc2cc1O[C@H]1COCC[N@H+](Cc2ccccc2)C1 ZINC001230600918 1037317310 /nfs/dbraw/zinc/31/73/10/1037317310.db2.gz KAUBCFCASJIDTE-MRXNPFEDSA-N 1 0 368.393 2.751 20 5 FFBDRO CCCCCC[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cccnc1 ZINC001230763168 1037348928 /nfs/dbraw/zinc/34/89/28/1037348928.db2.gz SOXAUSZBPBILDB-QZTJIDSGSA-N 1 0 362.474 2.635 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)[NH2+][C@@H]2CC[C@H](c3ccccc3)C2)cc1 ZINC001207473406 1037471305 /nfs/dbraw/zinc/47/13/05/1037471305.db2.gz ABBCMZXPAGNBCR-ONCXSQPRSA-N 1 0 356.422 2.915 20 5 FFBDRO NC(=O)[C@H]1C[N@H+](Cc2c3ccccc3c(Cl)c3ccccc32)CCN1 ZINC001235754831 1037724156 /nfs/dbraw/zinc/72/41/56/1037724156.db2.gz TUHUNYMUEQCBPZ-GOSISDBHSA-N 1 0 353.853 2.906 20 5 FFBDRO COc1cc(N2CCC([NH2+][C@H]3CC[C@H](CO)CC3)CC2)ccc1[N+](=O)[O-] ZINC001256087043 1038370682 /nfs/dbraw/zinc/37/06/82/1038370682.db2.gz NERJZLAGLFSOBB-SHTZXODSSA-N 1 0 363.458 2.713 20 5 FFBDRO COc1cc(N2CCC([NH2+]Cc3cncc(F)c3)CC2)ccc1[N+](=O)[O-] ZINC001256087079 1038372082 /nfs/dbraw/zinc/37/20/82/1038372082.db2.gz OOACSOAQCIYBHN-UHFFFAOYSA-N 1 0 360.389 2.896 20 5 FFBDRO COc1cc(N2CCC([N@@H+]3CC[C@@H](C)[C@@](C)(O)C3)CC2)ccc1[N+](=O)[O-] ZINC001256093091 1038379987 /nfs/dbraw/zinc/37/99/87/1038379987.db2.gz GGMMVOQKXNNIPI-KUHUBIRLSA-N 1 0 363.458 2.665 20 5 FFBDRO CCC[C@@H](CCO)[NH2+]C1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC001256101097 1038383575 /nfs/dbraw/zinc/38/35/75/1038383575.db2.gz MFABDOSSOGACLD-AWEZNQCLSA-N 1 0 351.447 2.713 20 5 FFBDRO Cc1[nH]c(-c2nc3cc(N4CC[NH+](C)CC4)ccc3[nH]2)c(C)c1[N+](=O)[O-] ZINC001251802508 1039303386 /nfs/dbraw/zinc/30/33/86/1039303386.db2.gz NWGUESGPNLORHM-UHFFFAOYSA-N 1 0 354.414 2.835 20 5 FFBDRO CC[C@@H]1C[NH2+]CCN1C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001246805163 1039486499 /nfs/dbraw/zinc/48/64/99/1039486499.db2.gz RGGJKODJIFCPBA-GFCCVEGCSA-N 1 0 354.401 2.526 20 5 FFBDRO CCCN([C@@H]1CC[NH2+]C1)C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001246931699 1039538625 /nfs/dbraw/zinc/53/86/25/1039538625.db2.gz XYHVUPYDDFDSDX-CQSZACIVSA-N 1 0 368.428 2.916 20 5 FFBDRO Cc1c(Nc2ncccc2N2CC[NH+](C)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001211292309 1040066793 /nfs/dbraw/zinc/06/67/93/1040066793.db2.gz VVYIEULEBXVWSV-UHFFFAOYSA-N 1 0 372.385 2.702 20 5 FFBDRO COCOc1ccccc1-c1noc(C[C@@H]([NH3+])c2cccc([N+](=O)[O-])c2)n1 ZINC001249277925 1040665007 /nfs/dbraw/zinc/66/50/07/1040665007.db2.gz UAHWWYAAWDGWHB-OAHLLOKOSA-N 1 0 370.365 2.870 20 5 FFBDRO COc1ccc(-c2noc(C[C@@H]([NH3+])c3ccc([N+](=O)[O-])cc3)n2)cc1OC ZINC001249342716 1040693035 /nfs/dbraw/zinc/69/30/35/1040693035.db2.gz RTKOEPKONQSARW-CQSZACIVSA-N 1 0 370.365 2.905 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@H](O)c3cccc(O)c3)CC2)cc1 ZINC001254469170 1040735240 /nfs/dbraw/zinc/73/52/40/1040735240.db2.gz XGSQVJHQJPEALH-IBGZPJMESA-N 1 0 357.410 2.592 20 5 FFBDRO [NH3+]C[C@@H]1COc2ccccc2N1C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254469221 1040736052 /nfs/dbraw/zinc/73/60/52/1040736052.db2.gz ICEXMDFVGMOKLZ-GOSISDBHSA-N 1 0 368.437 2.790 20 5 FFBDRO CC(C)(C)C(=O)N1CC[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254470036 1040737866 /nfs/dbraw/zinc/73/78/66/1040737866.db2.gz LXUIENVWLKMNKB-MRXNPFEDSA-N 1 0 374.485 2.800 20 5 FFBDRO [NH3+]C[C@H]1Cc2ccccc2CN1C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254472510 1040739013 /nfs/dbraw/zinc/73/90/13/1040739013.db2.gz ARYLZTSZDXIZNS-OAQYLSRUSA-N 1 0 366.465 2.949 20 5 FFBDRO O=C1Cc2cc(C[NH2+]C3CCN(c4ccc([N+](=O)[O-])cc4)CC3)ccc2N1 ZINC001254472816 1040740708 /nfs/dbraw/zinc/74/07/08/1040740708.db2.gz PLCQSCWMCHPWOP-UHFFFAOYSA-N 1 0 366.421 2.848 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH+]3CCN(Cc4ccco4)CC3)CC2)cc1 ZINC001254479270 1040746060 /nfs/dbraw/zinc/74/60/60/1040746060.db2.gz VWGUMGPRKBJDEX-UHFFFAOYSA-N 1 0 370.453 2.974 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc2c(c1)N(C)C(=O)CO2 ZINC001254549010 1040791847 /nfs/dbraw/zinc/79/18/47/1040791847.db2.gz PMVVCVCZTSVTLJ-CYBMUJFWSA-N 1 0 355.394 2.671 20 5 FFBDRO Cc1noc(C[C@H]2C[C@H]3C[N@@H+]([C@@H](C)Cc4ccccc4[N+](=O)[O-])C[C@H]3O2)n1 ZINC001254559478 1040796392 /nfs/dbraw/zinc/79/63/92/1040796392.db2.gz YCZIQSSZCPURCD-BWUSGFMJSA-N 1 0 372.425 2.549 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]CCc1nc(-c3ccccc3)no1)C2 ZINC001254572223 1040808850 /nfs/dbraw/zinc/80/88/50/1040808850.db2.gz KBFLLZVRLTXKPC-INIZCTEOSA-N 1 0 350.378 2.944 20 5 FFBDRO C[C@H]([NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC001254581271 1040814221 /nfs/dbraw/zinc/81/42/21/1040814221.db2.gz NMAOJAXZLRUUAJ-BLLLJJGKSA-N 1 0 361.442 2.907 20 5 FFBDRO CN(C)C(=O)Cc1ccc(CC[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC001254590132 1040819361 /nfs/dbraw/zinc/81/93/61/1040819361.db2.gz VBJGXQBGSCUOTF-IBGZPJMESA-N 1 0 367.449 2.525 20 5 FFBDRO CC(C)C(=O)N1CCC[C@@]12CC[N@@H+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254599053 1040829843 /nfs/dbraw/zinc/82/98/43/1040829843.db2.gz JWXGCJJTWCCQJH-ICSRJNTNSA-N 1 0 357.454 2.785 20 5 FFBDRO Cc1cc(OC2CC[NH+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC2)ncn1 ZINC001254605666 1040835141 /nfs/dbraw/zinc/83/51/41/1040835141.db2.gz BZQQCNATPOTBBG-QGZVFWFLSA-N 1 0 354.410 2.704 20 5 FFBDRO COc1cccnc1O[C@H]1CC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254611010 1040838641 /nfs/dbraw/zinc/83/86/41/1040838641.db2.gz NVCCHTVFNWVVKD-IRXDYDNUSA-N 1 0 355.394 2.619 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CCN3C[C@H]4CC[C@@H](C3)O4)cs2)c1 ZINC001261263106 1041111136 /nfs/dbraw/zinc/11/11/36/1041111136.db2.gz WLTXMRIKFCFODA-CALCHBBNSA-N 1 0 374.466 2.671 20 5 FFBDRO CC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[NH+](CCCc2ccsc2)CC1 ZINC001278607892 1041406131 /nfs/dbraw/zinc/40/61/31/1041406131.db2.gz RUOXMEBDUMGZJM-HZPDHXFCSA-N 1 0 365.499 2.564 20 5 FFBDRO C[N@@H+]1CCCC[C@H]1CNC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC001262652525 1041776405 /nfs/dbraw/zinc/77/64/05/1041776405.db2.gz ISXNBCQMDFCIPY-LBPRGKRZSA-N 1 0 370.247 2.500 20 5 FFBDRO CC[NH+](CC)[C@H](CNC(=O)Nc1c(C)cncc1[N+](=O)[O-])c1ccco1 ZINC001216473860 1042036092 /nfs/dbraw/zinc/03/60/92/1042036092.db2.gz CHXLAPXMNDZPMH-CYBMUJFWSA-N 1 0 361.402 2.518 20 5 FFBDRO C[C@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001280019777 1044096742 /nfs/dbraw/zinc/09/67/42/1044096742.db2.gz AHGQGEUVMZQTCZ-JSGCOSHPSA-N 1 0 364.402 2.838 20 5 FFBDRO Cc1cc(C(=O)NCc2ccccc2N2CC[NH+](C)CC2)cc([N+](=O)[O-])c1 ZINC001318494939 1045314786 /nfs/dbraw/zinc/31/47/86/1045314786.db2.gz WIPTZOVHRMCEPJ-UHFFFAOYSA-N 1 0 368.437 2.585 20 5 FFBDRO O=C(NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)c1c[nH]nc1[N+](=O)[O-] ZINC001324439523 1046030997 /nfs/dbraw/zinc/03/09/97/1046030997.db2.gz DXTVPSJLWMAELT-MQVJKMGUSA-N 1 0 369.425 2.633 20 5 FFBDRO Cc1cc(OCC(=O)N2C[C@]34C[N@@H+](C)C[C@@]3(C2)CCCC4)ccc1[N+](=O)[O-] ZINC001540111268 1070767973 /nfs/dbraw/zinc/76/79/73/1070767973.db2.gz BCWVDFYUAWNBMN-BGYRXZFFSA-N 1 0 373.453 2.616 20 5 FFBDRO C[N@H+](CCc1ccccc1)Cc1ccccc1CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001326449884 1046938163 /nfs/dbraw/zinc/93/81/63/1046938163.db2.gz RPBVOBLKMBQLSV-WOJBJXKFSA-N 1 0 367.449 2.643 20 5 FFBDRO O=C1COc2ccccc2N1CC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC001326560378 1046980336 /nfs/dbraw/zinc/98/03/36/1046980336.db2.gz FVTPJTVXNRELFJ-KRWDZBQOSA-N 1 0 367.405 2.987 20 5 FFBDRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC001288991747 1047554603 /nfs/dbraw/zinc/55/46/03/1047554603.db2.gz ZJRUDJZMDJOQBJ-OAHLLOKOSA-N 1 0 369.425 2.529 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC001331329576 1047868631 /nfs/dbraw/zinc/86/86/31/1047868631.db2.gz JMHKTJCOOVIVFX-SWLSCSKDSA-N 1 0 368.865 2.849 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCCC[C@H]2[NH+](C)C)cc1SC ZINC001327545287 1047941622 /nfs/dbraw/zinc/94/16/22/1047941622.db2.gz XOJAGQVAHHFOEL-CHWSQXEVSA-N 1 0 367.471 2.928 20 5 FFBDRO C[C@@H](CNc1ncnc2c(Cl)cc([N+](=O)[O-])cc12)C[NH+]1CCOCC1 ZINC001328009207 1048133860 /nfs/dbraw/zinc/13/38/60/1048133860.db2.gz HCAAIVNMAXFGGB-NSHDSACASA-N 1 0 365.821 2.572 20 5 FFBDRO Cc1ccc(C2=NO[C@@H](C[NH2+]C3CC(n4cc([N+](=O)[O-])cn4)C3)C2)cc1 ZINC001332022297 1048214978 /nfs/dbraw/zinc/21/49/78/1048214978.db2.gz WJCIYDFGAQABAX-VMBOVVBDSA-N 1 0 355.398 2.586 20 5 FFBDRO C[C@H]1CCc2ccccc2N1CC[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC001332976683 1048653576 /nfs/dbraw/zinc/65/35/76/1048653576.db2.gz RPQNSWFFGHGYFJ-OOHWJJMZSA-N 1 0 355.442 2.926 20 5 FFBDRO Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc([N+](=O)[O-])cn3)CC2)cc1 ZINC001333113689 1048719697 /nfs/dbraw/zinc/71/96/97/1048719697.db2.gz VEBLRETVQIYVOG-UHFFFAOYSA-N 1 0 354.410 2.646 20 5 FFBDRO COc1ccc([C@H]2C[NH2+]CCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2)cc1 ZINC001330929226 1049396331 /nfs/dbraw/zinc/39/63/31/1049396331.db2.gz IFELZUIMBPPLHM-QGZVFWFLSA-N 1 0 359.357 2.529 20 5 FFBDRO O=C(CC[C@@H]1CCC[NH2+]C1)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC001330961928 1049412765 /nfs/dbraw/zinc/41/27/65/1049412765.db2.gz VDCBLMDFDNZXMX-NSHDSACASA-N 1 0 370.247 2.753 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@]3(C2)CCCC[NH2+]3)cc1SC ZINC001341979805 1050577310 /nfs/dbraw/zinc/57/73/10/1050577310.db2.gz BIWBPTRPTIKYDB-QGZVFWFLSA-N 1 0 365.455 2.684 20 5 FFBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NCC[C@H]1CCC[NH2+]CC1 ZINC001342137802 1050731186 /nfs/dbraw/zinc/73/11/86/1050731186.db2.gz AJRSXCCIEZXENN-NSHDSACASA-N 1 0 357.813 2.826 20 5 FFBDRO CCn1c([C@H]2CCC[N@H+](C)C2)nnc1N(C)CCc1cccc([N+](=O)[O-])c1 ZINC001340458560 1050852323 /nfs/dbraw/zinc/85/23/23/1050852323.db2.gz MXEMXZQQVABNIC-INIZCTEOSA-N 1 0 372.473 2.694 20 5 FFBDRO C[C@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001301482972 1050903545 /nfs/dbraw/zinc/90/35/45/1050903545.db2.gz RAZPSERHTONAJC-MLGOLLRUSA-N 1 0 364.402 2.695 20 5 FFBDRO CCn1c([C@H](C)[N+](=O)[O-])nnc1N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001340876876 1051208846 /nfs/dbraw/zinc/20/88/46/1051208846.db2.gz AXMBHAZAMUBKAE-RDJZCZTQSA-N 1 0 372.473 2.737 20 5 FFBDRO [NH3+]C[C@H]1Cc2cc(F)ccc2N(C(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC001341108476 1051456332 /nfs/dbraw/zinc/45/63/32/1051456332.db2.gz GNBQFUMPRDKNDJ-CQSZACIVSA-N 1 0 357.385 2.831 20 5 FFBDRO CC(C)Cn1c(-c2ccc([N+](=O)[O-])o2)nnc1N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC001342989090 1051605123 /nfs/dbraw/zinc/60/51/23/1051605123.db2.gz VPVVEIQODFYXKR-UONOGXRCSA-N 1 0 374.445 2.633 20 5 FFBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC001343101869 1051719724 /nfs/dbraw/zinc/71/97/24/1051719724.db2.gz CWSVBOKAMYEYIO-XLIONFOSSA-N 1 0 367.405 2.509 20 5 FFBDRO CC[NH+](CC)CC[C@@H](C)NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC001305974143 1051982837 /nfs/dbraw/zinc/98/28/37/1051982837.db2.gz WTQZWPWGEKWZEQ-CQSZACIVSA-N 1 0 374.441 2.758 20 5 FFBDRO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC[C@H](Cc1ccccc1)[NH+](C)C ZINC001306909578 1052220506 /nfs/dbraw/zinc/22/05/06/1052220506.db2.gz ZTCTYYWCOZIGJK-LBPRGKRZSA-N 1 0 371.363 2.932 20 5 FFBDRO COC(=O)c1cc(C)nc(NC2CCC(C)([NH+]3CCC3)CC2)c1[N+](=O)[O-] ZINC001307224392 1052271811 /nfs/dbraw/zinc/27/18/11/1052271811.db2.gz IPYGTHJFMOHFHE-UHFFFAOYSA-N 1 0 362.430 2.904 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)C[C@@H]2C1 ZINC001343514676 1052277128 /nfs/dbraw/zinc/27/71/28/1052277128.db2.gz LTNUCONTZFDYIM-QLFBSQMISA-N 1 0 356.426 2.878 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+](Cc1ccccc1)CC1(O)CCCC1 ZINC001307577642 1052323331 /nfs/dbraw/zinc/32/33/31/1052323331.db2.gz PDGWRBQYPNDRAU-UHFFFAOYSA-N 1 0 358.442 2.907 20 5 FFBDRO C[C@@H]1CCC[C@H](C[N@H+](C)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001307851203 1052357011 /nfs/dbraw/zinc/35/70/11/1052357011.db2.gz MKCMRTSWOQVGEZ-CABCVRRESA-N 1 0 369.487 2.631 20 5 FFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC001308088607 1052403184 /nfs/dbraw/zinc/40/31/84/1052403184.db2.gz HQQOPGRXDJYSGE-HUUCEWRRSA-N 1 0 369.425 2.528 20 5 FFBDRO C[C@](CO)(Cc1ccccc1F)[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001308118657 1052411482 /nfs/dbraw/zinc/41/14/82/1052411482.db2.gz UPEBRNOZMGAIBD-QGZVFWFLSA-N 1 0 363.345 2.725 20 5 FFBDRO O=[N+]([O-])c1ccc(OCCC[NH2+][C@@H](CO)c2cc(F)ccc2F)cc1 ZINC001308158684 1052420662 /nfs/dbraw/zinc/42/06/62/1052420662.db2.gz RCTUAYARRJUPPN-KRWDZBQOSA-N 1 0 352.337 2.965 20 5 FFBDRO CC[C@H]1CCC[C@@H]([NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001308265054 1052439480 /nfs/dbraw/zinc/43/94/80/1052439480.db2.gz XEJSLYVNJRQELZ-LSDHHAIUSA-N 1 0 369.487 2.822 20 5 FFBDRO O=[N+]([O-])c1cccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)c1 ZINC001308283580 1052441624 /nfs/dbraw/zinc/44/16/24/1052441624.db2.gz ZIFKFDVGXSQFAR-ICSRJNTNSA-N 1 0 355.438 2.567 20 5 FFBDRO CC(C)(O)C[N@@H+]1CCc2c(cccc2NC(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC001344123816 1052610447 /nfs/dbraw/zinc/61/04/47/1052610447.db2.gz JQOZKAJVYJPMCJ-UHFFFAOYSA-N 1 0 363.458 2.590 20 5 FFBDRO CC(C)C[C@H](CNC(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1)[NH+](C)C ZINC001542929042 1071338834 /nfs/dbraw/zinc/33/88/34/1071338834.db2.gz WKHLAZBMLSHIAK-QGZVFWFLSA-N 1 0 373.457 2.546 20 5 FFBDRO Cn1c(CCC[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)nc2ccccc21 ZINC001335439197 1053365059 /nfs/dbraw/zinc/36/50/59/1053365059.db2.gz BSTVKSIZZDSCSJ-SFHVURJKSA-N 1 0 354.410 2.737 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)c(C(F)(F)F)c1 ZINC001335565338 1053439104 /nfs/dbraw/zinc/43/91/04/1053439104.db2.gz HYZISUMGJLTTMR-GJZGRUSLSA-N 1 0 359.348 2.649 20 5 FFBDRO C[C@H](CNC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1)c1ccccc1[N+](=O)[O-] ZINC001335680511 1053501947 /nfs/dbraw/zinc/50/19/47/1053501947.db2.gz DUEGRNJLZRBNBV-PBHICJAKSA-N 1 0 360.458 2.872 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)Nc3ccc([N+](=O)[O-])cc3F)C[C@@H]2C1 ZINC001336273798 1053890625 /nfs/dbraw/zinc/89/06/25/1053890625.db2.gz ZBVUBBSQKCNRCI-FRRDWIJNSA-N 1 0 350.394 2.928 20 5 FFBDRO CCCN(C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C)[C@@H]1CC[N@H+](C)C1 ZINC001347805823 1054338297 /nfs/dbraw/zinc/33/82/97/1054338297.db2.gz KYHNZAJKZFSVDY-CYBMUJFWSA-N 1 0 364.402 2.676 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)C[C@@H]2C1 ZINC001352172961 1055242817 /nfs/dbraw/zinc/24/28/17/1055242817.db2.gz YREYWUZUUFUEGV-HZSPNIEDSA-N 1 0 356.426 2.878 20 5 FFBDRO Cc1cc(-c2nnc(N3CCC[C@@H]([NH+]4CCCC4)C3)n2C)cc([N+](=O)[O-])c1 ZINC001338392131 1055471463 /nfs/dbraw/zinc/47/14/63/1055471463.db2.gz IMWAMHORROMPBE-MRXNPFEDSA-N 1 0 370.457 2.763 20 5 FFBDRO C[C@H](C(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-])c1ccco1 ZINC001349896399 1055526854 /nfs/dbraw/zinc/52/68/54/1055526854.db2.gz PZJCBPVWCHPNFG-ZDUSSCGKSA-N 1 0 358.398 2.682 20 5 FFBDRO Cn1c(Sc2ncc([N+](=O)[O-])c3ccccc32)nnc1[C@H]1CCC[NH2+]C1 ZINC001349980779 1055568030 /nfs/dbraw/zinc/56/80/30/1055568030.db2.gz RKYSPLBZCVBGHW-NSHDSACASA-N 1 0 370.438 2.890 20 5 FFBDRO CCC1([NH+](C)C)CCN(c2nnc(-c3ccc([N+](=O)[O-])s3)n2C)CC1 ZINC001338716811 1055756561 /nfs/dbraw/zinc/75/65/61/1055756561.db2.gz CMRMIHJLILRZNX-UHFFFAOYSA-N 1 0 364.475 2.762 20 5 FFBDRO C[C@@H](CNC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1)c1ccccc1[N+](=O)[O-] ZINC001338754163 1055786440 /nfs/dbraw/zinc/78/64/40/1055786440.db2.gz HPENVIYDEZLKSJ-HOCLYGCPSA-N 1 0 360.458 2.729 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001473295218 1055974582 /nfs/dbraw/zinc/97/45/82/1055974582.db2.gz YAPFNCVYZDGQNT-NEPJUHHUSA-N 1 0 355.341 2.519 20 5 FFBDRO CNc1nccc(C(=O)NC2CCC([NH+]3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000847552803 1056042868 /nfs/dbraw/zinc/04/28/68/1056042868.db2.gz ISVNGIXYJPTNNY-UHFFFAOYSA-N 1 0 361.446 2.558 20 5 FFBDRO C[C@@](N)(C(=O)N1CCC(Oc2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC001353085515 1056065246 /nfs/dbraw/zinc/06/52/46/1056065246.db2.gz JVAGQZQVGXCRHZ-FQEVSTJZSA-N 1 0 369.421 2.839 20 5 FFBDRO [NH3+]C1(C(=O)NCc2ccc(Br)cc2[N+](=O)[O-])CC2(CCC2)C1 ZINC001353146191 1056120882 /nfs/dbraw/zinc/12/08/82/1056120882.db2.gz KDAWRUKSXIPWPD-UHFFFAOYSA-N 1 0 368.231 2.635 20 5 FFBDRO O=C(NCc1ccc(Br)cc1[N+](=O)[O-])[C@]12CCC[C@H]1[NH2+]CC2 ZINC001353145941 1056121069 /nfs/dbraw/zinc/12/10/69/1056121069.db2.gz IABOMSSJBWBMNQ-HIFRSBDPSA-N 1 0 368.231 2.506 20 5 FFBDRO Cc1cccc(C(=O)N[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1[N+](=O)[O-] ZINC001358495054 1056338627 /nfs/dbraw/zinc/33/86/27/1056338627.db2.gz VNXTVHXHHNLGKQ-JXFKEZNVSA-N 1 0 367.405 2.889 20 5 FFBDRO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCC[C@@]12CC[NH2+]C2 ZINC001353389665 1056356441 /nfs/dbraw/zinc/35/64/41/1056356441.db2.gz MEVKVNXOTKMQTA-HNNXBMFYSA-N 1 0 372.347 2.651 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N(CCc2ccccc2)CC[NH+](C)C)n1 ZINC001353593843 1056563155 /nfs/dbraw/zinc/56/31/55/1056563155.db2.gz RSYSDCWCSHUZGW-UHFFFAOYSA-N 1 0 356.426 2.545 20 5 FFBDRO Cc1c(NC(=O)N2CC[N@@H+]3CC[C@H]2C3)cc([N+](=O)[O-])cc1C(F)(F)F ZINC001517810107 1058169080 /nfs/dbraw/zinc/16/90/80/1058169080.db2.gz DPBRWCZGQCMEAP-JTQLQIEISA-N 1 0 358.320 2.844 20 5 FFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([NH2+]C/C=C\c2ccc(Cl)cc2)CC1 ZINC001200471096 1058298181 /nfs/dbraw/zinc/29/81/81/1058298181.db2.gz DIIDKMQQPMKQRQ-YTHBIGJYSA-N 1 0 363.845 2.599 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)n1 ZINC001518643019 1058449374 /nfs/dbraw/zinc/44/93/74/1058449374.db2.gz PFGIARDXZYANQE-GOEBONIOSA-N 1 0 354.410 2.864 20 5 FFBDRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3cc(C)cc([N+](=O)[O-])c3)n2C)C1 ZINC001519957323 1059244851 /nfs/dbraw/zinc/24/48/51/1059244851.db2.gz PBRXCWGZRUGODT-HNNXBMFYSA-N 1 0 372.473 2.867 20 5 FFBDRO COc1ccc(C(=O)Nc2cc(N3CC[NH+](C)CC3)ccc2[N+](=O)[O-])cc1 ZINC001355080516 1059869510 /nfs/dbraw/zinc/86/95/10/1059869510.db2.gz JIXUNLNKIAUNPK-UHFFFAOYSA-N 1 0 370.409 2.608 20 5 FFBDRO CCC[N@@H+]1CC[C@@H](Cn2c(C)nnc2N(C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001547168158 1071928462 /nfs/dbraw/zinc/92/84/62/1071928462.db2.gz JHSIBPAXUKHJJZ-MRXNPFEDSA-N 1 0 372.473 2.863 20 5 FFBDRO [NH3+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC001355222041 1060005651 /nfs/dbraw/zinc/00/56/51/1060005651.db2.gz RDZFWJWZSIWARL-GLRZTSSQSA-N 1 0 371.462 2.862 20 5 FFBDRO CCCNC(=O)[C@H]1CCC[N@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C1 ZINC000848477208 1060097285 /nfs/dbraw/zinc/09/72/85/1060097285.db2.gz NFXOQSSBWJRKNU-HNNXBMFYSA-N 1 0 371.441 2.654 20 5 FFBDRO O=C1[C@@H](c2ccc([N+](=O)[O-])cc2)CCN1C[N@@H+]1CCC[C@H]1C1CCOCC1 ZINC000848484339 1060123716 /nfs/dbraw/zinc/12/37/16/1060123716.db2.gz ZAQKVUIIKRBZNG-MOPGFXCFSA-N 1 0 373.453 2.759 20 5 FFBDRO O=C1[C@H](c2ccc([N+](=O)[O-])cc2)CCN1C[N@@H+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000848490366 1060145419 /nfs/dbraw/zinc/14/54/19/1060145419.db2.gz ZZLOHHNZLUQQRG-YTQUADARSA-N 1 0 373.453 2.759 20 5 FFBDRO COC(=O)Cc1ccccc1C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000848573630 1060297947 /nfs/dbraw/zinc/29/79/47/1060297947.db2.gz WYXUTTHGCVNUDZ-DLBZAZTESA-N 1 0 372.425 2.780 20 5 FFBDRO O=C(OC[C@@H]1CC[N@@H+]1C1CCOCC1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001517121114 1060355563 /nfs/dbraw/zinc/35/55/63/1060355563.db2.gz CSAFCRRHCJXIDI-SFHVURJKSA-N 1 0 374.437 2.813 20 5 FFBDRO CC[N@H+](C)[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C1 ZINC001458044275 1060500106 /nfs/dbraw/zinc/50/01/06/1060500106.db2.gz HWOHIKHIITYPRW-INIZCTEOSA-N 1 0 360.458 2.751 20 5 FFBDRO Cn1c([C@H]2CCC[N@H+](C)C2)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001355719039 1060529590 /nfs/dbraw/zinc/52/95/90/1060529590.db2.gz URVVMTQQMNMTCO-HNNXBMFYSA-N 1 0 370.457 2.702 20 5 FFBDRO CC[C@H]1Oc2cc([C@H](C)[NH2+]CCn3c(C)ncc3[N+](=O)[O-])ccc2NC1=O ZINC001459847073 1060829340 /nfs/dbraw/zinc/82/93/40/1060829340.db2.gz AJQRPFHJZMXJAP-XHDPSFHLSA-N 1 0 373.413 2.560 20 5 FFBDRO COC(=O)COc1ccc(C[N@H+](C)CCOc2ccccc2[N+](=O)[O-])cc1 ZINC001459980528 1060864373 /nfs/dbraw/zinc/86/43/73/1060864373.db2.gz TYSYLIKYCXHSLT-UHFFFAOYSA-N 1 0 374.393 2.657 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1C[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC001526057866 1060988602 /nfs/dbraw/zinc/98/86/02/1060988602.db2.gz MXZIUHSMMOCNIB-MJGOQNOKSA-N 1 0 351.406 2.941 20 5 FFBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H]1c2ccccc2CC[C@H]1[NH+]1CCCC1 ZINC001526388668 1061108036 /nfs/dbraw/zinc/10/80/36/1061108036.db2.gz XTEHGMCSRBHJGL-MJGOQNOKSA-N 1 0 368.437 2.815 20 5 FFBDRO C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1N)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001546208132 1061310190 /nfs/dbraw/zinc/31/01/90/1061310190.db2.gz GMCQQGRNPUGWEX-GOEBONIOSA-N 1 0 368.437 2.817 20 5 FFBDRO Cc1ccc(C[NH2+][C@H]2C[C@H](S(=O)(=O)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC001461698141 1061382211 /nfs/dbraw/zinc/38/22/11/1061382211.db2.gz UFIOCFSJRUIRKE-JCNLHEQBSA-N 1 0 360.435 2.998 20 5 FFBDRO CNc1ccccc1CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001461857434 1061428796 /nfs/dbraw/zinc/42/87/96/1061428796.db2.gz BUPICQAMXQVJEF-UHFFFAOYSA-N 1 0 354.410 2.595 20 5 FFBDRO [NH3+]CCN(Cc1cccnc1Br)c1ccc([N+](=O)[O-])cc1 ZINC001462188386 1061531695 /nfs/dbraw/zinc/53/16/95/1061531695.db2.gz DADJEIZTMCZREQ-UHFFFAOYSA-N 1 0 351.204 2.718 20 5 FFBDRO CCc1ccc(S(=O)(=O)NCC2([NH+](C)C)CCCCC2)cc1[N+](=O)[O-] ZINC001462727254 1061746772 /nfs/dbraw/zinc/74/67/72/1061746772.db2.gz ALCMCWZPEPMABE-UHFFFAOYSA-N 1 0 369.487 2.700 20 5 FFBDRO [NH3+]Cc1ccc2c(c1)N(C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)CCO2 ZINC001522249106 1061802928 /nfs/dbraw/zinc/80/29/28/1061802928.db2.gz LEYUVKRXQXBLRA-HZPDHXFCSA-N 1 0 353.378 2.583 20 5 FFBDRO CN(C)c1cc(F)c(C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)cc1[N+](=O)[O-] ZINC001360654533 1062006979 /nfs/dbraw/zinc/00/69/79/1062006979.db2.gz QDUQWDJGVGXYSI-UHFFFAOYSA-N 1 0 370.344 2.633 20 5 FFBDRO CC[NH+](CC)CC[C@@H](C)NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC001529415643 1062304787 /nfs/dbraw/zinc/30/47/87/1062304787.db2.gz QXJWTRJLBUCULW-GFCCVEGCSA-N 1 0 360.414 2.699 20 5 FFBDRO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC001465735943 1063198806 /nfs/dbraw/zinc/19/88/06/1063198806.db2.gz YFQSMYZDYGYJOB-UHFFFAOYSA-N 1 0 367.421 2.662 20 5 FFBDRO CC(C)c1n[nH]c(C(=O)NC[C@H]2CC[N@@H+]2C2CCCCCC2)c1[N+](=O)[O-] ZINC001471234203 1064607579 /nfs/dbraw/zinc/60/75/79/1064607579.db2.gz CZBMXIDGRRTLMB-CQSZACIVSA-N 1 0 363.462 2.968 20 5 FFBDRO CC(C)CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[C@@H]1CC[NH2+]C1 ZINC001575590969 1078155575 /nfs/dbraw/zinc/15/55/75/1078155575.db2.gz BDEJUEUHZIGIEB-HNNXBMFYSA-N 1 0 372.473 2.945 20 5 FFBDRO COC(=O)c1ccnc(N[C@@H]2CC[N@H+](Cc3cccc(C)c3)C2)c1[N+](=O)[O-] ZINC001472844147 1065155585 /nfs/dbraw/zinc/15/55/85/1065155585.db2.gz GKMNKPWRYDBPIS-OAHLLOKOSA-N 1 0 370.409 2.771 20 5 FFBDRO CCC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@H](C)C(=O)OCC ZINC001473442218 1065263562 /nfs/dbraw/zinc/26/35/62/1065263562.db2.gz ZCZSSSPUKFXCLJ-CQSZACIVSA-N 1 0 365.430 2.895 20 5 FFBDRO COc1cccc([C@H]2CN(Cc3ccc([N+](=O)[O-])cc3OC)CC[NH2+]2)c1 ZINC001473740023 1065342455 /nfs/dbraw/zinc/34/24/55/1065342455.db2.gz ZPPCEHQBBHMRED-GOSISDBHSA-N 1 0 357.410 2.759 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H](Cn2ccnc2)c2ccccc2)cc1 ZINC001473748187 1065345064 /nfs/dbraw/zinc/34/50/64/1065345064.db2.gz WLJZDVREEMSSNX-RBUKOAKNSA-N 1 0 352.394 2.856 20 5 FFBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC001473785272 1065359195 /nfs/dbraw/zinc/35/91/95/1065359195.db2.gz NOFKERJGJMDMHC-WDEREUQCSA-N 1 0 369.381 2.855 20 5 FFBDRO O=C(CC[N@@H+]1CCC[C@@H](c2ncccn2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC001473804699 1065370408 /nfs/dbraw/zinc/37/04/08/1065370408.db2.gz IOAPOTKQUYJWTG-CYBMUJFWSA-N 1 0 373.388 2.732 20 5 FFBDRO COc1ccc2c(c1)C[C@@H]([NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1)CC2 ZINC001474235111 1065474126 /nfs/dbraw/zinc/47/41/26/1065474126.db2.gz LXSDFDLWFOTNHP-PXNSSMCTSA-N 1 0 356.422 2.958 20 5 FFBDRO O=[N+]([O-])c1cccc(Br)c1C[NH2+]CC1CC2(C1)OCCO2 ZINC001474259894 1065480130 /nfs/dbraw/zinc/48/01/30/1065480130.db2.gz KXDCDNYDTYHLQG-UHFFFAOYSA-N 1 0 357.204 2.600 20 5 FFBDRO COc1c(O)ccc(C[NH2+][C@](C)(CO)Cc2ccccc2F)c1[N+](=O)[O-] ZINC001474651922 1065569541 /nfs/dbraw/zinc/56/95/41/1065569541.db2.gz DRHQWTMMAJBUAB-SFHVURJKSA-N 1 0 364.373 2.531 20 5 FFBDRO CCCCn1c([C@H]2C[C@@H]([NH3+])C2)nnc1N(C)Cc1ccccc1[N+](=O)[O-] ZINC001577481598 1078366211 /nfs/dbraw/zinc/36/62/11/1078366211.db2.gz FIMVWSXSHVBNCK-GASCZTMLSA-N 1 0 358.446 2.828 20 5 FFBDRO C[NH2+]C[C@H](C)Cn1c(C(C)C)nnc1N(C)CCc1ccccc1[N+](=O)[O-] ZINC001578629499 1078505941 /nfs/dbraw/zinc/50/59/41/1078505941.db2.gz NFFULNRWIMZOOM-HNNXBMFYSA-N 1 0 374.489 2.844 20 5 FFBDRO C[C@@H]1CCCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)[C@@H]1CCC[NH3+] ZINC001579421012 1078627473 /nfs/dbraw/zinc/62/74/73/1078627473.db2.gz UBUXUACERGRTRJ-FZKQIMNGSA-N 1 0 371.441 2.965 20 5 FFBDRO Cc1c(Br)cc(C(=O)N2CC[C@H]([NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC001579516134 1078638258 /nfs/dbraw/zinc/63/82/58/1078638258.db2.gz GLLGAFLUYBDATF-KCJUWKMLSA-N 1 0 356.220 2.618 20 5 FFBDRO [NH3+][C@H]1CCc2ccccc2N(C(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC001580205291 1078765625 /nfs/dbraw/zinc/76/56/25/1078765625.db2.gz UFXIXDFOZPTNRL-HNNXBMFYSA-N 1 0 354.410 2.704 20 5 FFBDRO [NH3+]C[C@H](C(=O)Nc1ccc2cc([N+](=O)[O-])ccc2n1)c1ccc(F)cc1 ZINC001580216402 1078766859 /nfs/dbraw/zinc/76/68/59/1078766859.db2.gz YRGXFOYROGLYIL-HNNXBMFYSA-N 1 0 354.341 2.963 20 5 FFBDRO [NH3+]C[C@@]12CC[C@H]1CCCN2C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001580249498 1078773892 /nfs/dbraw/zinc/77/38/92/1078773892.db2.gz AHCDKQNNUQKBHB-BMIGLBTASA-N 1 0 357.332 2.957 20 5 FFBDRO [NH3+]C[C@]12CC[C@@H]1CCCN2C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001580249857 1078774349 /nfs/dbraw/zinc/77/43/49/1078774349.db2.gz DBFNSBCKSFFJAU-ZUZCIYMTSA-N 1 0 357.332 2.957 20 5 FFBDRO [NH3+][C@H]1CCCN(C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])C1 ZINC001580412006 1078799257 /nfs/dbraw/zinc/79/92/57/1078799257.db2.gz YZQCMILJJABCMH-HNNXBMFYSA-N 1 0 355.394 2.737 20 5 FFBDRO COc1cccc(C[C@@H]2CN(C(=O)c3cccc(C)c3[N+](=O)[O-])CC[NH2+]2)c1 ZINC001557764442 1075886219 /nfs/dbraw/zinc/88/62/19/1075886219.db2.gz AJCSTAYHYZGBAA-MRXNPFEDSA-N 1 0 369.421 2.569 20 5 FFBDRO Cc1ccc(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC001557984937 1075922439 /nfs/dbraw/zinc/92/24/39/1075922439.db2.gz HWBAHZZULUMVKI-MSOLQXFVSA-N 1 0 353.422 2.865 20 5 FFBDRO CS[C@H]1CN(c2c3cc(F)ccc3ncc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC001559157542 1076130619 /nfs/dbraw/zinc/13/06/19/1076130619.db2.gz OFZCERGIZDBRNX-CABCVRRESA-N 1 0 350.419 2.764 20 5 FFBDRO COc1ccc2ncc([N+](=O)[O-])c(N[C@H]3CCC[N@@H+]4CCSC[C@H]34)c2c1 ZINC001559277866 1076144793 /nfs/dbraw/zinc/14/47/93/1076144793.db2.gz FTONSZGELDINQS-DOTOQJQBSA-N 1 0 374.466 2.565 20 5 FFBDRO COC(=O)[C@@H]1CCCC[C@H]1C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001559482459 1076165808 /nfs/dbraw/zinc/16/58/08/1076165808.db2.gz DYFHHRAFDBRZTD-MAUKXSAKSA-N 1 0 361.442 2.696 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCc2cc(O)ccc2C1 ZINC001560240716 1076255067 /nfs/dbraw/zinc/25/50/67/1076255067.db2.gz UYBLMLHGLPDFNM-UHFFFAOYSA-N 1 0 371.393 2.696 20 5 FFBDRO Cc1ccc(S(=O)(=O)N[C@H](C)C[NH+]2CCC(C)CC2)c(C)c1[N+](=O)[O-] ZINC001561749626 1076416852 /nfs/dbraw/zinc/41/68/52/1076416852.db2.gz ZKUWQLCCZJPDTP-CQSZACIVSA-N 1 0 369.487 2.610 20 5 FFBDRO O=C(NC1(C[NH2+]Cc2ccccc2Cl)CCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001567998128 1077065242 /nfs/dbraw/zinc/06/52/42/1077065242.db2.gz BHVJXZIWSOUUST-UKRRQHHQSA-N 1 0 351.834 2.524 20 5 FFBDRO CC(=O)c1cccc(CNC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)c1 ZINC001569563912 1077152261 /nfs/dbraw/zinc/15/22/61/1077152261.db2.gz LUMNTHDLVAJBJS-UHFFFAOYSA-N 1 0 364.361 2.913 20 5 FFBDRO C[N@@H+]1CCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C[C@@H]1C(C)(C)C ZINC001570910763 1077242162 /nfs/dbraw/zinc/24/21/62/1077242162.db2.gz RIFCDKCJULAGCF-QGZVFWFLSA-N 1 0 371.441 2.583 20 5 FFBDRO CC(=Cc1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001588771252 1080188460 /nfs/dbraw/zinc/18/84/60/1080188460.db2.gz SYEYCPWNLLSRSJ-MDWZMJQESA-N 1 0 350.382 2.968 20 5 FFBDRO CC(C)(C)O[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1(C)C ZINC001589198206 1080411684 /nfs/dbraw/zinc/41/16/84/1080411684.db2.gz SVHSJBJLIFXASZ-LSDHHAIUSA-N 1 0 374.445 2.847 20 5 FFBDRO C[C@@H](CNc1cc(-c2nn[nH]n2)sc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC001589876087 1080823476 /nfs/dbraw/zinc/82/34/76/1080823476.db2.gz NSNMLOZCANJMOS-NSHDSACASA-N 1 0 373.442 2.769 20 5 FFBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000093120428 250014807 /nfs/dbraw/zinc/01/48/07/250014807.db2.gz VWHLDRQVHALEEK-UHFFFAOYSA-N 1 0 369.425 2.706 20 5 FFBDRO O=C(CCc1cccc([N+](=O)[O-])c1)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000093066354 250015857 /nfs/dbraw/zinc/01/58/57/250015857.db2.gz AYZQKOOKCKESGZ-UHFFFAOYSA-N 1 0 368.437 2.955 20 5 FFBDRO O=[N+]([O-])c1cnc(N2CCC([C@H]3CCC[NH2+]3)CC2)c(Br)c1 ZINC000093434325 250036137 /nfs/dbraw/zinc/03/61/37/250036137.db2.gz FRJKTKUWLSLIPY-CYBMUJFWSA-N 1 0 355.236 2.721 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](C)C[NH+]2CCCC2)cc1SC ZINC000103072569 250133690 /nfs/dbraw/zinc/13/36/90/250133690.db2.gz ZFNYZWHJRAISPJ-GFCCVEGCSA-N 1 0 367.471 2.787 20 5 FFBDRO Cn1ccnc1[C@H](O)[C@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000132008776 251036743 /nfs/dbraw/zinc/03/67/43/251036743.db2.gz MYQHJKAQTKZQEM-BLLLJJGKSA-N 1 0 364.833 2.927 20 5 FFBDRO C[NH+](C)[C@H]1CCCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000372990719 512122019 /nfs/dbraw/zinc/12/20/19/512122019.db2.gz PGXCEWIOJIPSPE-ZDUSSCGKSA-N 1 0 354.838 2.603 20 5 FFBDRO COc1cc(C[NH2+][C@@H](C)[C@@H]2CCOC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000163001938 251164127 /nfs/dbraw/zinc/16/41/27/251164127.db2.gz VBCCNMTXCYCHQZ-WDEREUQCSA-N 1 0 360.357 2.762 20 5 FFBDRO O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000173521241 251198950 /nfs/dbraw/zinc/19/89/50/251198950.db2.gz XQQALWDAKZBORE-LJQANCHMSA-N 1 0 367.449 2.818 20 5 FFBDRO O=[N+]([O-])c1ccc(Br)cc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000268780656 251381303 /nfs/dbraw/zinc/38/13/03/251381303.db2.gz CFMQNJSXGKYGGF-GFCCVEGCSA-N 1 0 370.247 2.516 20 5 FFBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000270433806 251544359 /nfs/dbraw/zinc/54/43/59/251544359.db2.gz PBBPERFIQQGDIB-MRXNPFEDSA-N 1 0 356.426 2.705 20 5 FFBDRO CC(C)[NH+]1CCC(NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000272333319 252012575 /nfs/dbraw/zinc/01/25/75/252012575.db2.gz VYHFBSTYNWEYMU-UHFFFAOYSA-N 1 0 368.865 2.963 20 5 FFBDRO O=C(N1CC[C@@H](C[NH+]2CCCC2)C1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272296017 252003940 /nfs/dbraw/zinc/00/39/40/252003940.db2.gz GGNRVYKKHMBFOO-ZDUSSCGKSA-N 1 0 353.369 2.631 20 5 FFBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1 ZINC000272299454 252004816 /nfs/dbraw/zinc/00/48/16/252004816.db2.gz GNHINVAVFAUJJI-ZDUSSCGKSA-N 1 0 355.385 2.877 20 5 FFBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000272484268 252049579 /nfs/dbraw/zinc/04/95/79/252049579.db2.gz VKYKVTTUPGSIOZ-LBPRGKRZSA-N 1 0 366.849 2.574 20 5 FFBDRO Cc1ccc(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1F ZINC000272974444 252179441 /nfs/dbraw/zinc/17/94/41/252179441.db2.gz WPRJXPHPFSNQDJ-UHFFFAOYSA-N 1 0 352.387 2.606 20 5 FFBDRO C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C[C@H]1OCCc2ccccc21 ZINC000273055987 252203295 /nfs/dbraw/zinc/20/32/95/252203295.db2.gz RUNRSVFKWCJLLH-OXJNMPFZSA-N 1 0 372.421 2.580 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](CO)c1ccc(F)cc1 ZINC000273079824 252209671 /nfs/dbraw/zinc/20/96/71/252209671.db2.gz HFAHNOXCFLVDJZ-KRWDZBQOSA-N 1 0 361.373 2.694 20 5 FFBDRO Cn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000275548491 256022797 /nfs/dbraw/zinc/02/27/97/256022797.db2.gz NDMZONPSFTWMPS-GJZGRUSLSA-N 1 0 350.806 2.992 20 5 FFBDRO CC(C)(CNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)C[NH+]1CCCC1 ZINC000276835044 256135029 /nfs/dbraw/zinc/13/50/29/256135029.db2.gz ISGDXRYTYOVGOU-UHFFFAOYSA-N 1 0 372.425 2.700 20 5 FFBDRO CCN(CCC[NH+]1CCCC1)C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000276523310 256107910 /nfs/dbraw/zinc/10/79/10/256107910.db2.gz XXTBTXNLFKDFCH-UHFFFAOYSA-N 1 0 363.443 2.548 20 5 FFBDRO Cc1noc(C[C@@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)c2ccccc2)n1 ZINC000277075221 256158562 /nfs/dbraw/zinc/15/85/62/256158562.db2.gz DXPQXGKEKKXLCW-QZTJIDSGSA-N 1 0 368.393 2.893 20 5 FFBDRO CC[NH+]1CCC(n2nccc2NC(=O)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000277167438 256167963 /nfs/dbraw/zinc/16/79/63/256167963.db2.gz RHJJXLAGZOUIPF-UHFFFAOYSA-N 1 0 373.413 2.709 20 5 FFBDRO CCOc1cc(C[NH+]2CCC([C@@H](O)c3nccn3C)CC2)ccc1[N+](=O)[O-] ZINC000276913188 256142462 /nfs/dbraw/zinc/14/24/62/256142462.db2.gz NTPDNRXHHLNSSF-GOSISDBHSA-N 1 0 374.441 2.673 20 5 FFBDRO CCOc1cc(C[NH+]2CCC3(CC2)[C@@H](O)C[C@@H]3OCC)ccc1[N+](=O)[O-] ZINC000276920506 256142707 /nfs/dbraw/zinc/14/27/07/256142707.db2.gz OYGMRWPQMICBMR-ROUUACIJSA-N 1 0 364.442 2.745 20 5 FFBDRO CCOc1cc(CN(CCS(C)(=O)=O)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000276936799 256144141 /nfs/dbraw/zinc/14/41/41/256144141.db2.gz RREMVYCLJMYBLH-UHFFFAOYSA-N 1 0 358.460 2.639 20 5 FFBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)CC1 ZINC000277335620 256186203 /nfs/dbraw/zinc/18/62/03/256186203.db2.gz ATAFIRUTCKWFRU-YOEHRIQHSA-N 1 0 360.458 2.559 20 5 FFBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]C3CCN(c4nccs4)CC3)nc2c1 ZINC000278698742 256338922 /nfs/dbraw/zinc/33/89/22/256338922.db2.gz NNZIZCGFLZPXKU-UHFFFAOYSA-N 1 0 358.427 2.686 20 5 FFBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000279039890 256374959 /nfs/dbraw/zinc/37/49/59/256374959.db2.gz ADMKHVLUIDGCMW-NSHDSACASA-N 1 0 357.813 2.730 20 5 FFBDRO Cc1c(C(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000286113097 257020890 /nfs/dbraw/zinc/02/08/90/257020890.db2.gz GDWOBZCUHVJGRY-FUNVUKJBSA-N 1 0 362.386 2.509 20 5 FFBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1ncc([N+](=O)[O-])cc1Br ZINC000286229002 257026815 /nfs/dbraw/zinc/02/68/15/257026815.db2.gz DNOWZTQWWLXXJV-PWSUYJOCSA-N 1 0 355.236 2.815 20 5 FFBDRO CCOC[C@@H]([NH2+]CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C(C)C ZINC000286229179 257026939 /nfs/dbraw/zinc/02/69/39/257026939.db2.gz RHBZBQQLZOGLCI-OAHLLOKOSA-N 1 0 353.419 2.583 20 5 FFBDRO O=c1[nH]c(N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)nc2ccc([N+](=O)[O-])cc21 ZINC000286290894 257029847 /nfs/dbraw/zinc/02/98/47/257029847.db2.gz RXPLBPGCTVARNC-SJCJKPOMSA-N 1 0 369.425 2.697 20 5 FFBDRO O=c1[nH]c(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)nc2ccc([N+](=O)[O-])cc21 ZINC000286290910 257029850 /nfs/dbraw/zinc/02/98/50/257029850.db2.gz RXPLBPGCTVARNC-YVEFUNNKSA-N 1 0 369.425 2.697 20 5 FFBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N(C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000287075847 257070680 /nfs/dbraw/zinc/07/06/80/257070680.db2.gz NYPDJCSPSWZMES-INIZCTEOSA-N 1 0 362.474 2.757 20 5 FFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC000287100484 257071855 /nfs/dbraw/zinc/07/18/55/257071855.db2.gz QBCPYFVYANGLRV-UONOGXRCSA-N 1 0 372.512 2.880 20 5 FFBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000287103070 257072108 /nfs/dbraw/zinc/07/21/08/257072108.db2.gz LKRMGWRKWUJALM-LRDDRELGSA-N 1 0 351.834 2.876 20 5 FFBDRO CCCN(CC[NH+]1CCCC1)C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000287398832 257087373 /nfs/dbraw/zinc/08/73/73/257087373.db2.gz PIQRTNTXINAVGM-UHFFFAOYSA-N 1 0 372.425 2.797 20 5 FFBDRO CCCN(CC[NH+]1CCCC1)C(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 ZINC000287464421 257090620 /nfs/dbraw/zinc/09/06/20/257090620.db2.gz SFFLRUGBQRIGJN-UHFFFAOYSA-N 1 0 365.430 2.560 20 5 FFBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000288306584 257172641 /nfs/dbraw/zinc/17/26/41/257172641.db2.gz IHLDWEMEEKOWPV-WFASDCNBSA-N 1 0 351.834 2.876 20 5 FFBDRO CCn1c(C)nc([N+](=O)[O-])c1Nc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000288127720 257150080 /nfs/dbraw/zinc/15/00/80/257150080.db2.gz MEHPOIJAQKIIQG-UHFFFAOYSA-N 1 0 372.429 2.565 20 5 FFBDRO C[C@H]([NH2+]C[C@](C)(O)CNC(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000289378069 257277497 /nfs/dbraw/zinc/27/74/97/257277497.db2.gz PCNPQZYPIJWSLF-SJCJKPOMSA-N 1 0 353.419 2.521 20 5 FFBDRO CC[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCOC(C)(C)C1 ZINC000289889421 257304813 /nfs/dbraw/zinc/30/48/13/257304813.db2.gz RVWXQYINTWCUKC-HZPDHXFCSA-N 1 0 352.431 2.614 20 5 FFBDRO Cc1cc(N2CC[C@H](C(=O)N3CCCC3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000291165573 257388911 /nfs/dbraw/zinc/38/89/11/257388911.db2.gz QMLRJFITFCUUSP-AWEZNQCLSA-N 1 0 354.410 2.900 20 5 FFBDRO COc1cc(C[N@@H+]2CC[C@](CO)(c3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000291265556 257394821 /nfs/dbraw/zinc/39/48/21/257394821.db2.gz NGTXNSIXVVULPS-FQEVSTJZSA-N 1 0 372.421 2.748 20 5 FFBDRO Cc1ccc([C@H](CNc2ncc([N+](=O)[O-])cc2C(N)=O)[NH+]2CCCC2)cc1 ZINC000301115850 258026867 /nfs/dbraw/zinc/02/68/67/258026867.db2.gz OJADWCGWUYIIFF-KRWDZBQOSA-N 1 0 369.425 2.646 20 5 FFBDRO COc1ccc([C@H](CCO)[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000299732964 258021272 /nfs/dbraw/zinc/02/12/72/258021272.db2.gz YCTDYDQXXFWKHJ-INIZCTEOSA-N 1 0 373.409 2.645 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC[C@H](C[NH+]3CCOCC3)C2)c(OC(F)F)c1 ZINC000302048822 258083865 /nfs/dbraw/zinc/08/38/65/258083865.db2.gz MKFKKBGTUSBLSG-CYBMUJFWSA-N 1 0 371.384 2.745 20 5 FFBDRO Nc1nc(N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)ncc1[N+](=O)[O-] ZINC000302200701 258094408 /nfs/dbraw/zinc/09/44/08/258094408.db2.gz ZDZNDCPBRWHGEL-OWCLPIDISA-N 1 0 368.441 2.680 20 5 FFBDRO Cc1cc(Nc2ncc([N+](=O)[O-])cn2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000302730813 258109310 /nfs/dbraw/zinc/10/93/10/258109310.db2.gz SJMMREJCLHQLKR-UHFFFAOYSA-N 1 0 356.430 2.967 20 5 FFBDRO COC1CC[NH+](CCNc2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000301534563 258054096 /nfs/dbraw/zinc/05/40/96/258054096.db2.gz LKGKGVPKFGJPCO-UHFFFAOYSA-N 1 0 371.441 2.883 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(N2CCN(CC(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)c1 ZINC000301593477 258057745 /nfs/dbraw/zinc/05/77/45/258057745.db2.gz ZXPPYSJKEMAEFR-IAGOWNOFSA-N 1 0 374.485 2.530 20 5 FFBDRO COC1CC[NH+](CCNc2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000301639007 258060328 /nfs/dbraw/zinc/06/03/28/258060328.db2.gz ATJBYSTZDXHHEO-UHFFFAOYSA-N 1 0 358.236 2.880 20 5 FFBDRO O=[N+]([O-])c1cnc(N2CC[C@H](OCC[NH+]3CCCCC3)C2)c(Cl)c1 ZINC000301734756 258065237 /nfs/dbraw/zinc/06/52/37/258065237.db2.gz GPOHOAYVWKHBTJ-AWEZNQCLSA-N 1 0 354.838 2.724 20 5 FFBDRO O=[N+]([O-])c1cnc(NC[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)c(Cl)c1 ZINC000301875636 258071961 /nfs/dbraw/zinc/07/19/61/258071961.db2.gz MOLBNUYVIDEWEC-ZFWWWQNUSA-N 1 0 362.817 2.691 20 5 FFBDRO C[C@@H](CCNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)[NH+]1CCCCC1 ZINC000331635518 258194352 /nfs/dbraw/zinc/19/43/52/258194352.db2.gz TZYYXYSCEJVOMD-HNNXBMFYSA-N 1 0 360.458 2.927 20 5 FFBDRO CCCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000064995696 506248499 /nfs/dbraw/zinc/24/84/99/506248499.db2.gz HQVBYLSIAWHTOD-CVEARBPZSA-N 1 0 363.458 2.990 20 5 FFBDRO C[NH+](C)[C@@H](CNC(=O)CNc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000065873783 506382904 /nfs/dbraw/zinc/38/29/04/506382904.db2.gz DDNGNNFEVNZFMG-KRWDZBQOSA-N 1 0 360.389 2.565 20 5 FFBDRO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000371019611 512181043 /nfs/dbraw/zinc/18/10/43/512181043.db2.gz SPXLVKHMAIDEOR-IRXDYDNUSA-N 1 0 372.469 2.799 20 5 FFBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NCCC[NH+]1CCCCCC1 ZINC000066041976 506413612 /nfs/dbraw/zinc/41/36/12/506413612.db2.gz MEQJPJWHWAGBAJ-UHFFFAOYSA-N 1 0 358.442 2.932 20 5 FFBDRO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000066160244 506433444 /nfs/dbraw/zinc/43/34/44/506433444.db2.gz DEDYEGVYYXLGCA-LBPRGKRZSA-N 1 0 370.356 2.898 20 5 FFBDRO C[N@H+](CCCNC(=O)NCCc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000054645397 506594094 /nfs/dbraw/zinc/59/40/94/506594094.db2.gz CRAITIWBGJXJTH-UHFFFAOYSA-N 1 0 370.453 2.959 20 5 FFBDRO C[NH+](C)[C@@H](CNC(=O)NCCc1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC000054647063 506594755 /nfs/dbraw/zinc/59/47/55/506594755.db2.gz OUSFKAGZGPSYSH-INIZCTEOSA-N 1 0 362.455 2.801 20 5 FFBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000055407752 506745201 /nfs/dbraw/zinc/74/52/01/506745201.db2.gz QWLLNOZHKWMIGO-HUUCEWRRSA-N 1 0 371.441 2.631 20 5 FFBDRO CC(C)C[NH+]1CCC(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000067264575 506807960 /nfs/dbraw/zinc/80/79/60/506807960.db2.gz DMRMMRRDQYNKDW-UHFFFAOYSA-N 1 0 371.441 2.631 20 5 FFBDRO Cc1ccc([C@@H](CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)[NH+](C)C)cc1 ZINC000067267892 506810384 /nfs/dbraw/zinc/81/03/84/506810384.db2.gz YEBSMIBSVDLASX-QGZVFWFLSA-N 1 0 367.409 2.812 20 5 FFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC[C@H]1[C@@H]1CNC(=O)C1 ZINC000367027751 512302435 /nfs/dbraw/zinc/30/24/35/512302435.db2.gz GURUJLDDOZSQFH-YOEHRIQHSA-N 1 0 361.442 2.873 20 5 FFBDRO Nc1ccc(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000045716384 507008291 /nfs/dbraw/zinc/00/82/91/507008291.db2.gz CNAMTFTXDSTLFA-HNNXBMFYSA-N 1 0 360.439 2.805 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)c1 ZINC000067786207 507008841 /nfs/dbraw/zinc/00/88/41/507008841.db2.gz DTOOGUMOTMVBDX-OAHLLOKOSA-N 1 0 357.410 2.506 20 5 FFBDRO NC(=O)c1ccc(NC2CC[NH+](Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000015207671 507025558 /nfs/dbraw/zinc/02/55/58/507025558.db2.gz AGJPQAYHOOTSCE-UHFFFAOYSA-N 1 0 354.410 2.770 20 5 FFBDRO C[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2Cl)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000371305411 512318083 /nfs/dbraw/zinc/31/80/83/512318083.db2.gz YRCVWEZLELBQDW-KSSFIOAISA-N 1 0 366.893 2.706 20 5 FFBDRO C[NH+](C)Cc1ccc(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000068252135 507161726 /nfs/dbraw/zinc/16/17/26/507161726.db2.gz AAEQYNRJUHOGJM-UHFFFAOYSA-N 1 0 368.437 2.619 20 5 FFBDRO C[NH+](C)CCOc1ccc(NC(=O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000046721837 507181221 /nfs/dbraw/zinc/18/12/21/507181221.db2.gz RKKDBECZJQCNGU-UHFFFAOYSA-N 1 0 359.382 2.553 20 5 FFBDRO CCCc1n[nH]c(C(=O)NC[C@H](c2ccc(CC)cc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000068311315 507181598 /nfs/dbraw/zinc/18/15/98/507181598.db2.gz UWWZAWZMEPIHAD-MRXNPFEDSA-N 1 0 373.457 2.866 20 5 FFBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000057202708 507204571 /nfs/dbraw/zinc/20/45/71/507204571.db2.gz IHSSBOCYVWEEFG-SFHVURJKSA-N 1 0 370.453 2.909 20 5 FFBDRO C[NH+]1CCN(Cc2cccc(NC(=O)Cc3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000057273839 507224930 /nfs/dbraw/zinc/22/49/30/507224930.db2.gz LSKKKRUGQUPEOR-UHFFFAOYSA-N 1 0 368.437 2.523 20 5 FFBDRO CCC[NH+]1CCC(N(C)S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])CC1 ZINC000057763035 507323426 /nfs/dbraw/zinc/32/34/26/507323426.db2.gz HVXPZRYVLUXRPM-UHFFFAOYSA-N 1 0 369.487 2.707 20 5 FFBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)C1 ZINC000068935825 507365684 /nfs/dbraw/zinc/36/56/84/507365684.db2.gz WASDLXFSMVWUSB-ZIAGYGMSSA-N 1 0 351.472 2.922 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000069124519 507415347 /nfs/dbraw/zinc/41/53/47/507415347.db2.gz NKIZTBGUABSCND-INIZCTEOSA-N 1 0 367.471 2.542 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)cc1C ZINC000060443101 507543743 /nfs/dbraw/zinc/54/37/43/507543743.db2.gz QKUJXNSXZFCGQP-HUUCEWRRSA-N 1 0 369.487 2.753 20 5 FFBDRO C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000069784443 507559633 /nfs/dbraw/zinc/55/96/33/507559633.db2.gz HFCOCFLAJBBSFH-ZDUSSCGKSA-N 1 0 363.439 2.696 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2noc(CN3CC[NH+](C4CCCC4)CC3)n2)c1 ZINC000026130422 507560325 /nfs/dbraw/zinc/56/03/25/507560325.db2.gz KCVXLEZKIRLOOI-UHFFFAOYSA-N 1 0 357.414 2.705 20 5 FFBDRO O=C(CC[NH+]1CCN(c2ccccc2)CC1)Nc1cccc([N+](=O)[O-])c1 ZINC000026158529 507562743 /nfs/dbraw/zinc/56/27/43/507562743.db2.gz OYSRICNOUIJASJ-UHFFFAOYSA-N 1 0 354.410 2.746 20 5 FFBDRO COc1ccc(C(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000071838624 507720178 /nfs/dbraw/zinc/72/01/78/507720178.db2.gz STXMNFVXYOJYLD-UHFFFAOYSA-N 1 0 373.409 2.933 20 5 FFBDRO COc1cc(C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)c([N+](=O)[O-])cc1OC ZINC000063723589 507763940 /nfs/dbraw/zinc/76/39/40/507763940.db2.gz IZEFVHNRJFAXBW-UHFFFAOYSA-N 1 0 365.430 2.558 20 5 FFBDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000063821890 507773595 /nfs/dbraw/zinc/77/35/95/507773595.db2.gz MGBQCYABPWEEAI-LBPRGKRZSA-N 1 0 352.410 2.701 20 5 FFBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@H](O)COc2cccc3[nH]ccc32)cc1 ZINC000029326481 507773671 /nfs/dbraw/zinc/77/36/71/507773671.db2.gz APXRDOFMWGTSJI-INIZCTEOSA-N 1 0 355.394 2.648 20 5 FFBDRO Cc1nn(C)c(NCc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1[N+](=O)[O-] ZINC000051956969 507790388 /nfs/dbraw/zinc/79/03/88/507790388.db2.gz KPKKTHLRSXMCIZ-OKILXGFUSA-N 1 0 373.457 2.858 20 5 FFBDRO Cc1nn(C)c(NCc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)c1[N+](=O)[O-] ZINC000051956975 507790402 /nfs/dbraw/zinc/79/04/02/507790402.db2.gz KPKKTHLRSXMCIZ-KBPBESRZSA-N 1 0 373.457 2.858 20 5 FFBDRO CNc1ccc(C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000029931114 507796850 /nfs/dbraw/zinc/79/68/50/507796850.db2.gz VZPLYRKCHIKCFH-QGZVFWFLSA-N 1 0 360.389 2.808 20 5 FFBDRO CCOC(=O)c1ccnc(N2CCC[N@@H+](C3CCCC3)CC2)c1[N+](=O)[O-] ZINC000077994909 507825304 /nfs/dbraw/zinc/82/53/04/507825304.db2.gz BFHSRVBFGDVSFP-UHFFFAOYSA-N 1 0 362.430 2.621 20 5 FFBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000089307126 507828603 /nfs/dbraw/zinc/82/86/03/507828603.db2.gz HWNQONKBUFVCRY-IBGZPJMESA-N 1 0 353.422 2.918 20 5 FFBDRO CN(c1ccccc1)c1ccc(C[NH2+]CCNC(=O)C2CC2)cc1[N+](=O)[O-] ZINC000072726511 507848706 /nfs/dbraw/zinc/84/87/06/507848706.db2.gz HWFNWFODJKIHCP-UHFFFAOYSA-N 1 0 368.437 2.979 20 5 FFBDRO NC(=O)c1ccc(C[N@@H+]2CC[C@@H](COCc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000072760392 507850513 /nfs/dbraw/zinc/85/05/13/507850513.db2.gz UIFXGQJETFQOFN-MRXNPFEDSA-N 1 0 369.421 2.732 20 5 FFBDRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000108300930 507885053 /nfs/dbraw/zinc/88/50/53/507885053.db2.gz AXRNLILVZLCVSU-AWEZNQCLSA-N 1 0 372.450 2.932 20 5 FFBDRO COc1cc(C[N@@H+]2CCC[C@@H]([C@H](C)O)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000089929003 507885563 /nfs/dbraw/zinc/88/55/63/507885563.db2.gz BTCMQATTYUVRMA-WDEREUQCSA-N 1 0 360.357 2.798 20 5 FFBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC(Cc2cccc(F)c2)CC1 ZINC000090517876 507924807 /nfs/dbraw/zinc/92/48/07/507924807.db2.gz QMGURLMQCMCVMT-UHFFFAOYSA-N 1 0 359.401 2.850 20 5 FFBDRO CCCN(CC[NH+](C)C)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000079527194 507971497 /nfs/dbraw/zinc/97/14/97/507971497.db2.gz QXZXLXZDASILRL-UHFFFAOYSA-N 1 0 358.236 2.771 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](CCCO)CC(C)(C)C ZINC000109747646 507984304 /nfs/dbraw/zinc/98/43/04/507984304.db2.gz HVVAFWRQWCYBQB-UHFFFAOYSA-N 1 0 367.446 2.663 20 5 FFBDRO O=[N+]([O-])c1cncc(Br)c1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000091453546 507986942 /nfs/dbraw/zinc/98/69/42/507986942.db2.gz JGYUYLGPGJIGON-LLVKDONJSA-N 1 0 355.236 2.817 20 5 FFBDRO CC[N@H+](C)Cc1cccc(CNc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)c1 ZINC000091457126 507987538 /nfs/dbraw/zinc/98/75/38/507987538.db2.gz XOJXFZRJHNVXKH-UHFFFAOYSA-N 1 0 370.409 2.990 20 5 FFBDRO CC(C)(C)NC(=O)C[NH+]1CCC(CNc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000080267315 508059244 /nfs/dbraw/zinc/05/92/44/508059244.db2.gz SZSQJJZFLGALSI-UHFFFAOYSA-N 1 0 366.437 2.773 20 5 FFBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000110996804 508064274 /nfs/dbraw/zinc/06/42/74/508064274.db2.gz JPGAVELYMIISRF-INIZCTEOSA-N 1 0 371.441 2.600 20 5 FFBDRO CCOC(=O)[C@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000092456421 508072323 /nfs/dbraw/zinc/07/23/23/508072323.db2.gz AXSDPRIGJFCDJE-HNNXBMFYSA-N 1 0 372.425 2.770 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000092602497 508085973 /nfs/dbraw/zinc/08/59/73/508085973.db2.gz OGPLIYGOPGWWCZ-MRXNPFEDSA-N 1 0 361.442 2.503 20 5 FFBDRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000111415234 508096818 /nfs/dbraw/zinc/09/68/18/508096818.db2.gz RVKACDKDOPWEHP-ZDUSSCGKSA-N 1 0 370.837 2.607 20 5 FFBDRO C[C@@H]1CC(C)(C)C[C@](CO)([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000080903710 508110244 /nfs/dbraw/zinc/11/02/44/508110244.db2.gz RORFEXCWLLDPLT-SIXWZSSISA-N 1 0 366.458 2.501 20 5 FFBDRO CC(C)[NH+]1CCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000075634881 508123489 /nfs/dbraw/zinc/12/34/89/508123489.db2.gz UNBRNJYTZACHEM-LBPRGKRZSA-N 1 0 354.838 2.601 20 5 FFBDRO COc1ccccc1C[C@@H](C)[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000075896385 508142036 /nfs/dbraw/zinc/14/20/36/508142036.db2.gz KQKPZJQNADDTID-QAPCUYQASA-N 1 0 374.437 2.906 20 5 FFBDRO C[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)CC(C)(CO)CO ZINC000093502687 508146387 /nfs/dbraw/zinc/14/63/87/508146387.db2.gz IUFNPYQEHAOICD-UHFFFAOYSA-N 1 0 350.440 2.746 20 5 FFBDRO C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)CC(C)(CO)CO ZINC000093502564 508146855 /nfs/dbraw/zinc/14/68/55/508146855.db2.gz DMUVXEDZRFKTBZ-UHFFFAOYSA-N 1 0 350.440 2.746 20 5 FFBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000081293431 508157525 /nfs/dbraw/zinc/15/75/25/508157525.db2.gz XQXDFOIRTYHXGF-MRXNPFEDSA-N 1 0 361.442 2.744 20 5 FFBDRO CCCC[N@H+](C)CCNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000112333579 508175713 /nfs/dbraw/zinc/17/57/13/508175713.db2.gz MEYAEHKXTHMMBD-UHFFFAOYSA-N 1 0 359.430 2.703 20 5 FFBDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000081534130 508187352 /nfs/dbraw/zinc/18/73/52/508187352.db2.gz YABSQSOXKZQYKL-QGZVFWFLSA-N 1 0 368.437 2.740 20 5 FFBDRO CC1CC[NH+](C[C@@H]2CCCN(CC(=O)Nc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000112658534 508206469 /nfs/dbraw/zinc/20/64/69/508206469.db2.gz WGPRXXMXNVWHSB-KRWDZBQOSA-N 1 0 374.485 2.977 20 5 FFBDRO C[NH+]1CCC(N(Cc2ccco2)C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000112915697 508232885 /nfs/dbraw/zinc/23/28/85/508232885.db2.gz YRMFVYGIGMAOOZ-UHFFFAOYSA-N 1 0 358.398 2.507 20 5 FFBDRO C[NH+](C)CCN(Cc1cccs1)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000084250741 508271549 /nfs/dbraw/zinc/27/15/49/508271549.db2.gz AGGCQVFGNUCLTA-UHFFFAOYSA-N 1 0 363.439 2.626 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C(c2ccccc2)c2ccccc2)c1 ZINC000077221245 508288954 /nfs/dbraw/zinc/28/89/54/508288954.db2.gz YLOJAPUKGNOUKS-GOSISDBHSA-N 1 0 352.394 2.531 20 5 FFBDRO CN(CC[NH+]1CCCC1)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000103116840 508297207 /nfs/dbraw/zinc/29/72/07/508297207.db2.gz BXTPMZVQWMFFBS-UHFFFAOYSA-N 1 0 360.439 2.886 20 5 FFBDRO C[NH+](C)CCCOc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000103126951 508297751 /nfs/dbraw/zinc/29/77/51/508297751.db2.gz NCPIUMDAOATDPH-UHFFFAOYSA-N 1 0 357.410 2.855 20 5 FFBDRO CN(CC[NH+]1CCCC1)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000103118453 508297753 /nfs/dbraw/zinc/29/77/53/508297753.db2.gz ITVOFQIVCVTTEX-UHFFFAOYSA-N 1 0 363.461 2.709 20 5 FFBDRO CCc1ccc(C(=O)NCCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000085457643 508309703 /nfs/dbraw/zinc/30/97/03/508309703.db2.gz LXUVWFSXHJEKAM-GJZGRUSLSA-N 1 0 363.458 2.776 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@@H](C(C)C)[NH+]1CCCC1 ZINC000105168833 508363865 /nfs/dbraw/zinc/36/38/65/508363865.db2.gz CKBKLNRFKODPRQ-INIZCTEOSA-N 1 0 364.446 2.523 20 5 FFBDRO CC[NH+]1CCC(N(C)C(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000105599415 508377700 /nfs/dbraw/zinc/37/77/00/508377700.db2.gz GXTGPECBDUTKIZ-LBPRGKRZSA-N 1 0 369.849 2.958 20 5 FFBDRO CCOC(=O)c1ccnc(NCCC[NH2+]C2CCCCC2)c1[N+](=O)[O-] ZINC000077911961 508390824 /nfs/dbraw/zinc/39/08/24/508390824.db2.gz YUQRRIUDDHQLBX-UHFFFAOYSA-N 1 0 350.419 2.891 20 5 FFBDRO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000133600346 508422727 /nfs/dbraw/zinc/42/27/27/508422727.db2.gz NUKJZUSNAXNDJH-WBMJQRKESA-N 1 0 365.405 2.831 20 5 FFBDRO O=C(CC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1ccc(F)cc1 ZINC000122202622 508497932 /nfs/dbraw/zinc/49/79/32/508497932.db2.gz YBTPALGNNHIFDW-HNNXBMFYSA-N 1 0 358.373 2.888 20 5 FFBDRO CCOC(=O)c1ccnc(NC2CCC(C[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000128169832 508557455 /nfs/dbraw/zinc/55/74/55/508557455.db2.gz LVJMIKNQSJTJPI-UHFFFAOYSA-N 1 0 350.419 2.699 20 5 FFBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000134710229 508561177 /nfs/dbraw/zinc/56/11/77/508561177.db2.gz FWJIVHNCHAKLTL-HNNXBMFYSA-N 1 0 358.442 2.999 20 5 FFBDRO O=C1[C@@H](N2CCC[C@H]([NH+]3CCCC3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000157436478 508565954 /nfs/dbraw/zinc/56/59/54/508565954.db2.gz VCFASGCALNDLNG-LPHOPBHVSA-N 1 0 372.469 2.650 20 5 FFBDRO CCOc1cc(NCc2ccnc(OCC[NH+](C)C)c2)ccc1[N+](=O)[O-] ZINC000135388984 508597409 /nfs/dbraw/zinc/59/74/09/508597409.db2.gz USDVPIDYNZRSFL-UHFFFAOYSA-N 1 0 360.414 2.941 20 5 FFBDRO C[C@H]1CN(C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000153656459 508618001 /nfs/dbraw/zinc/61/80/01/508618001.db2.gz LOFJVHBYJDLARZ-QWRGUYRKSA-N 1 0 374.363 2.624 20 5 FFBDRO CCOc1cc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000123350442 508673890 /nfs/dbraw/zinc/67/38/90/508673890.db2.gz ZCGNFKRNIRLLIY-OLZOCXBDSA-N 1 0 365.430 2.557 20 5 FFBDRO O=C(CN1CCC[C@H]([NH+]2CCCC2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000118829325 508680746 /nfs/dbraw/zinc/68/07/46/508680746.db2.gz QHJNJBWTMNKWPU-AWEZNQCLSA-N 1 0 366.849 2.747 20 5 FFBDRO O=C(C[N@@H+]1CC[C@H](c2ccccc2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000123408608 508682145 /nfs/dbraw/zinc/68/21/45/508682145.db2.gz GJBOIUFRPABKMG-KRWDZBQOSA-N 1 0 351.406 2.973 20 5 FFBDRO C[C@@H]1C[C@H](N(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1C ZINC000123492839 508695089 /nfs/dbraw/zinc/69/50/89/508695089.db2.gz UWPVULNMSRNPJZ-VXGBXAGGSA-N 1 0 354.838 2.601 20 5 FFBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](Cc2nccn2C)C1 ZINC000123651587 508720668 /nfs/dbraw/zinc/72/06/68/508720668.db2.gz VSMYRLNAXWWUJV-HUUCEWRRSA-N 1 0 371.441 2.610 20 5 FFBDRO C[N@@H+]1CCC[C@@H]2CN(Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)CC[C@@H]21 ZINC000158593604 508725958 /nfs/dbraw/zinc/72/59/58/508725958.db2.gz SPPLINHUNNJSBU-ZBFHGGJFSA-N 1 0 357.414 2.561 20 5 FFBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H](CCO)C2CCCCC2)c2c(c1)COCO2 ZINC000129454611 508728539 /nfs/dbraw/zinc/72/85/39/508728539.db2.gz JTYYWKLHNSNPSX-KRWDZBQOSA-N 1 0 350.415 2.882 20 5 FFBDRO CC(C)[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000158836692 508758105 /nfs/dbraw/zinc/75/81/05/508758105.db2.gz MVESQFFAXKORCF-UHFFFAOYSA-N 1 0 370.247 2.960 20 5 FFBDRO O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000158975050 508776118 /nfs/dbraw/zinc/77/61/18/508776118.db2.gz VZECBQIPDJMGAF-KRWDZBQOSA-N 1 0 358.423 2.544 20 5 FFBDRO CCCN(CC[NH+](CC)CC)S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000119398816 508788780 /nfs/dbraw/zinc/78/87/80/508788780.db2.gz BVEQRKNRJMWSPI-UHFFFAOYSA-N 1 0 357.476 2.646 20 5 FFBDRO CC[C@H]([NH2+]C[C@]1(N2CCOCC2)CCSC1)c1cccc([N+](=O)[O-])c1 ZINC000154463794 508789995 /nfs/dbraw/zinc/78/99/95/508789995.db2.gz WOLBPFXDGGIZSV-ZWKOTPCHSA-N 1 0 365.499 2.843 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCOC2(CCCC2)C1 ZINC000139782934 508795073 /nfs/dbraw/zinc/79/50/73/508795073.db2.gz CKNQOVCDOKTKMY-UHFFFAOYSA-N 1 0 363.414 2.577 20 5 FFBDRO O=C(NC1CC[NH+](C2CC2)CC1)c1ccc([N+](=O)[O-])cc1Br ZINC000159125416 508796179 /nfs/dbraw/zinc/79/61/79/508796179.db2.gz KFGXEGHEIJIRJD-UHFFFAOYSA-N 1 0 368.231 2.714 20 5 FFBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2Br)C1 ZINC000159132867 508797538 /nfs/dbraw/zinc/79/75/38/508797538.db2.gz JFQMJRUTSDTJGC-JTQLQIEISA-N 1 0 356.220 2.524 20 5 FFBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000369458944 512419771 /nfs/dbraw/zinc/41/97/71/512419771.db2.gz SNGWOXXRYFTORW-UONOGXRCSA-N 1 0 367.833 2.760 20 5 FFBDRO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000144838347 508841037 /nfs/dbraw/zinc/84/10/37/508841037.db2.gz HQVBYLSIAWHTOD-HZPDHXFCSA-N 1 0 363.458 2.990 20 5 FFBDRO C[NH+](C)[C@@H](CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)c1ccc(F)cc1 ZINC000130797865 508848226 /nfs/dbraw/zinc/84/82/26/508848226.db2.gz PKZNPJBKEJPRSP-INIZCTEOSA-N 1 0 371.372 2.643 20 5 FFBDRO C[NH+](C)[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1F)Cc1ccccc1 ZINC000124570156 508852844 /nfs/dbraw/zinc/85/28/44/508852844.db2.gz OCGOVSIBJHOYJQ-QGZVFWFLSA-N 1 0 359.401 2.566 20 5 FFBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000119749546 508855587 /nfs/dbraw/zinc/85/55/87/508855587.db2.gz MAABMHMPKPHZLZ-YJBOKZPZSA-N 1 0 353.422 2.774 20 5 FFBDRO CC(C)[N@H+](CCc1nccs1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000159763021 508887271 /nfs/dbraw/zinc/88/72/71/508887271.db2.gz LKPBFNSDQBWSIU-OAHLLOKOSA-N 1 0 365.455 2.744 20 5 FFBDRO Cc1ccc([C@@H]2CSCC[N@@H+]2CCn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000159830981 508897843 /nfs/dbraw/zinc/89/78/43/508897843.db2.gz JSBPYIVAPSJATJ-KRWDZBQOSA-N 1 0 359.451 2.855 20 5 FFBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000159855819 508901857 /nfs/dbraw/zinc/90/18/57/508901857.db2.gz BDDREKZQTNJVLV-HNNXBMFYSA-N 1 0 359.451 2.871 20 5 FFBDRO Cc1ccccc1CC(=O)N1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000155157291 508935860 /nfs/dbraw/zinc/93/58/60/508935860.db2.gz AZVQLYPLIZPCDD-UHFFFAOYSA-N 1 0 353.422 2.790 20 5 FFBDRO C[C@H](Nc1ccc(C(=O)N[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000120142710 508937272 /nfs/dbraw/zinc/93/72/72/508937272.db2.gz YGUPRFUGJHUEMU-DZGCQCFKSA-N 1 0 369.425 2.645 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)[C@H](C)C1 ZINC000120366970 508981798 /nfs/dbraw/zinc/98/17/98/508981798.db2.gz GLSJGDKHDNTIKG-IUODEOHRSA-N 1 0 350.419 2.797 20 5 FFBDRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000132214029 509005480 /nfs/dbraw/zinc/00/54/80/509005480.db2.gz ZSIDSZQTBWXOLQ-INIZCTEOSA-N 1 0 373.478 2.976 20 5 FFBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000120535783 509016368 /nfs/dbraw/zinc/01/63/68/509016368.db2.gz HREQYWKQKJOAMS-SNVBAGLBSA-N 1 0 358.236 2.817 20 5 FFBDRO CSC[C@](C)(O)C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000120670572 509042372 /nfs/dbraw/zinc/04/23/72/509042372.db2.gz XCHMYTAZKKTVOQ-OAHLLOKOSA-N 1 0 353.469 2.922 20 5 FFBDRO COc1ccc(NC(=O)[C@@H](C)[N@H+](C)CCC2CCOCC2)c([N+](=O)[O-])c1 ZINC000120709397 509049368 /nfs/dbraw/zinc/04/93/68/509049368.db2.gz AQSIIDHTBXIIOU-CYBMUJFWSA-N 1 0 365.430 2.679 20 5 FFBDRO O=C(NCC1([NH+]2CCSCC2)CCCC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000120962828 509098403 /nfs/dbraw/zinc/09/84/03/509098403.db2.gz ULZCRLQFYGKUAP-UHFFFAOYSA-N 1 0 367.446 2.825 20 5 FFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H](c1ccco1)N(C)C ZINC000121019099 509111013 /nfs/dbraw/zinc/11/10/13/509111013.db2.gz BDMNDEUPVUELMS-CJNGLKHVSA-N 1 0 360.414 2.797 20 5 FFBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000121077373 509122993 /nfs/dbraw/zinc/12/29/93/509122993.db2.gz KEDBWUQDOLQKTC-CQSZACIVSA-N 1 0 358.442 2.855 20 5 FFBDRO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])C1 ZINC000121083068 509123720 /nfs/dbraw/zinc/12/37/20/509123720.db2.gz DSYZUHQUTXZMBY-HNNXBMFYSA-N 1 0 369.487 2.564 20 5 FFBDRO O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000121396972 509171849 /nfs/dbraw/zinc/17/18/49/509171849.db2.gz AYFIWKKHHFHISS-GOSISDBHSA-N 1 0 372.469 2.927 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N[C@@H]3CCC[C@H]([NH3+])C3)cc2[N+](=O)[O-])CC1 ZINC000162237067 509181427 /nfs/dbraw/zinc/18/14/27/509181427.db2.gz QZROQTLWOSXNIP-JKSUJKDBSA-N 1 0 360.458 2.831 20 5 FFBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)n1 ZINC000191801512 509186898 /nfs/dbraw/zinc/18/68/98/509186898.db2.gz GTIOBVOSWKVTST-HNNXBMFYSA-N 1 0 363.462 2.539 20 5 FFBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)CC[C@H]21 ZINC000247920489 509191300 /nfs/dbraw/zinc/19/13/00/509191300.db2.gz BDTHXDIYRLQRGG-IAGOWNOFSA-N 1 0 372.469 2.751 20 5 FFBDRO COc1cc(C(=O)NCCC[NH+](C(C)C)C(C)C)cc([N+](=O)[O-])c1OC ZINC000266811200 509206388 /nfs/dbraw/zinc/20/63/88/509206388.db2.gz OCLACNNLVYTRRL-UHFFFAOYSA-N 1 0 367.446 2.851 20 5 FFBDRO C[C@H](CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)[N@@H+]1CCC[C@H](C)C1 ZINC000248003558 509214569 /nfs/dbraw/zinc/21/45/69/509214569.db2.gz OQDCHXWRUJVNLF-LSDHHAIUSA-N 1 0 371.441 2.631 20 5 FFBDRO COc1ccc(F)cc1[C@@H](C)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182403238 509220964 /nfs/dbraw/zinc/22/09/64/509220964.db2.gz JUJQRAOITCVZMZ-OCCSQVGLSA-N 1 0 364.373 2.833 20 5 FFBDRO O=C(Cc1cccc([N+](=O)[O-])c1)NCC1([NH+]2CCSCC2)CCCC1 ZINC000172791965 509237909 /nfs/dbraw/zinc/23/79/09/509237909.db2.gz ASPSOSFLHJGSFY-UHFFFAOYSA-N 1 0 363.483 2.615 20 5 FFBDRO COc1cccc(CN(CC[NH+](C)C)C(=O)Cc2cccc([N+](=O)[O-])c2)c1 ZINC000191948536 509258474 /nfs/dbraw/zinc/25/84/74/509258474.db2.gz FHMQGEUFLORFDE-UHFFFAOYSA-N 1 0 371.437 2.736 20 5 FFBDRO COc1cc(C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)c([N+](=O)[O-])cc1OC ZINC000172843003 509266772 /nfs/dbraw/zinc/26/67/72/509266772.db2.gz MQXRSTMSANVOCH-CYBMUJFWSA-N 1 0 365.430 2.558 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000248454444 509329665 /nfs/dbraw/zinc/32/96/65/509329665.db2.gz KKHSEBDEYDQSSC-ZWKOTPCHSA-N 1 0 371.437 2.911 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(C(=O)N2CCOCC2)CC1 ZINC000182636470 509344355 /nfs/dbraw/zinc/34/43/55/509344355.db2.gz YIAVXNTYVHNXKU-HNNXBMFYSA-N 1 0 361.442 2.535 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C3CCOCC3)CC2)c(C(F)(F)F)c1 ZINC000267117031 509352485 /nfs/dbraw/zinc/35/24/85/509352485.db2.gz ZVDQUAMYDYWLKJ-UHFFFAOYSA-N 1 0 359.348 2.915 20 5 FFBDRO O=C1CCc2cc([N+](=O)[O-])c(NCC3([NH+]4CCCC4)CCOCC3)cc2N1 ZINC000264178966 509365159 /nfs/dbraw/zinc/36/51/59/509365159.db2.gz AWQGKRBRQQGWSM-UHFFFAOYSA-N 1 0 374.441 2.536 20 5 FFBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000173076838 509381359 /nfs/dbraw/zinc/38/13/59/509381359.db2.gz YAHSBLFIPXHWHH-GOSISDBHSA-N 1 0 353.422 2.918 20 5 FFBDRO Cc1c(CC(=O)NCc2ccccc2OCC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000163863118 509433659 /nfs/dbraw/zinc/43/36/59/509433659.db2.gz OIBYUKAHFNCOEW-UHFFFAOYSA-N 1 0 371.437 2.703 20 5 FFBDRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000163885118 509437326 /nfs/dbraw/zinc/43/73/26/509437326.db2.gz MUHUECGMMKKNGI-OAHLLOKOSA-N 1 0 358.442 2.753 20 5 FFBDRO COc1cc(C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)cc([N+](=O)[O-])c1C ZINC000189182774 509452224 /nfs/dbraw/zinc/45/22/24/509452224.db2.gz BTWVPMUGEKJPPL-QGZVFWFLSA-N 1 0 371.437 2.815 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N[C@@](C)(C[NH3+])C3CC3)cc2[N+](=O)[O-])CC1 ZINC000236671252 509476878 /nfs/dbraw/zinc/47/68/78/509476878.db2.gz YPNBYIDENVYNBT-IBGZPJMESA-N 1 0 360.458 2.688 20 5 FFBDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000236751001 509496508 /nfs/dbraw/zinc/49/65/08/509496508.db2.gz DVCMTOXKZFBLHI-SFHVURJKSA-N 1 0 365.477 2.987 20 5 FFBDRO CC(C)(C)c1ccc(C(=O)N2CCC(OCCC[NH3+])CC2)cc1[N+](=O)[O-] ZINC000236784264 509503019 /nfs/dbraw/zinc/50/30/19/509503019.db2.gz YQGJTKPYDKBERS-UHFFFAOYSA-N 1 0 363.458 2.862 20 5 FFBDRO O=C1CCCN1C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000179548208 509505365 /nfs/dbraw/zinc/50/53/65/509505365.db2.gz KWWVWGOTHRSFIL-IBGZPJMESA-N 1 0 369.421 2.927 20 5 FFBDRO Cc1c(Br)c(NC[C@H]2CC[N@@H+](C3CC3)C2)ncc1[N+](=O)[O-] ZINC000165725625 509581037 /nfs/dbraw/zinc/58/10/37/509581037.db2.gz DSXQRHVWWVXTQY-SNVBAGLBSA-N 1 0 355.236 2.957 20 5 FFBDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000165915229 509588046 /nfs/dbraw/zinc/58/80/46/509588046.db2.gz YUYZDMIOEXTOAU-UWVGGRQHSA-N 1 0 356.220 2.557 20 5 FFBDRO O=C(CN1CC[C@@H]([NH+]2CCCCC2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000264538485 509586118 /nfs/dbraw/zinc/58/61/18/509586118.db2.gz AHTFVHVDPNELPU-CQSZACIVSA-N 1 0 366.849 2.747 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000264582389 509612785 /nfs/dbraw/zinc/61/27/85/509612785.db2.gz JUJMCXDODQNXSV-KRWDZBQOSA-N 1 0 360.458 2.792 20 5 FFBDRO CC[NH+](CC)CCC[C@H](C)Nc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000189561907 509638128 /nfs/dbraw/zinc/63/81/28/509638128.db2.gz HAUYYAAUTNPNIG-ZDUSSCGKSA-N 1 0 357.476 2.921 20 5 FFBDRO O=C(CC[N@@H+]1CC[C@H]2OCCC[C@H]2C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000249284622 509646995 /nfs/dbraw/zinc/64/69/95/509646995.db2.gz OWVLWDARAPYHQQ-BLLLJJGKSA-N 1 0 351.378 2.563 20 5 FFBDRO C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)[C@@H]1C[NH3+] ZINC000237525941 509668838 /nfs/dbraw/zinc/66/88/38/509668838.db2.gz IRYBKAGMKUANLT-NOZJJQNGSA-N 1 0 356.220 2.557 20 5 FFBDRO CCC(CC)(CC(=O)OC)[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000267924519 509673087 /nfs/dbraw/zinc/67/30/87/509673087.db2.gz LIRCPLWRTLBGJF-UHFFFAOYSA-N 1 0 362.386 2.856 20 5 FFBDRO C[NH+](C)CCn1ccc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3N)cc21 ZINC000176819487 509708254 /nfs/dbraw/zinc/70/82/54/509708254.db2.gz SZQYOYVNXFZMBV-UHFFFAOYSA-N 1 0 367.409 2.946 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C[C@H](C)O)C1CCCCC1 ZINC000170691607 509724858 /nfs/dbraw/zinc/72/48/58/509724858.db2.gz VRPMPGWKKMKMPP-ZDUSSCGKSA-N 1 0 365.430 2.557 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ccc(CNC[C@@H](O)C[NH+]3CCCC3)s2)cc1 ZINC000237964358 509788127 /nfs/dbraw/zinc/78/81/27/509788127.db2.gz BZMRZXZQLNMLKH-MRXNPFEDSA-N 1 0 361.467 2.870 20 5 FFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000193164832 509802530 /nfs/dbraw/zinc/80/25/30/509802530.db2.gz HTCIUUGXPLAFLV-INIZCTEOSA-N 1 0 354.410 2.693 20 5 FFBDRO C[C@@H]1CN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC[N@@H+]1CC(C)(C)O ZINC000189884856 509809372 /nfs/dbraw/zinc/80/93/72/509809372.db2.gz RSHDFRWAJUWUHD-CQSZACIVSA-N 1 0 374.441 2.527 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000173846926 509814114 /nfs/dbraw/zinc/81/41/14/509814114.db2.gz FLFIPAZUHCIZTH-ZBFHGGJFSA-N 1 0 367.471 2.539 20 5 FFBDRO C[C@H]1C[C@@H](NC(=O)Nc2ccncc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000183585858 509873326 /nfs/dbraw/zinc/87/33/26/509873326.db2.gz GBURDIOQKXCHKJ-DZGCQCFKSA-N 1 0 355.398 2.774 20 5 FFBDRO C[NH+](C)CCCOC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000177108551 509876761 /nfs/dbraw/zinc/87/67/61/509876761.db2.gz UUMAWKWBGBGTPE-UHFFFAOYSA-N 1 0 369.849 2.821 20 5 FFBDRO O=C(Nc1ccncc1[N+](=O)[O-])N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000183601830 509880737 /nfs/dbraw/zinc/88/07/37/509880737.db2.gz PHUSGXXKWHKKIQ-UHFFFAOYSA-N 1 0 355.398 2.730 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000193401301 509898513 /nfs/dbraw/zinc/89/85/13/509898513.db2.gz MOWKNNMWJMBFID-KRWDZBQOSA-N 1 0 372.425 2.706 20 5 FFBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000180389447 509899143 /nfs/dbraw/zinc/89/91/43/509899143.db2.gz USNZEWNCHKAVSF-LLVKDONJSA-N 1 0 357.357 2.800 20 5 FFBDRO C[C@H]1CN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC[N@@H+]1CC(C)(C)O ZINC000190043601 509904458 /nfs/dbraw/zinc/90/44/58/509904458.db2.gz LEGIXEOTHLARCP-NSHDSACASA-N 1 0 370.837 2.557 20 5 FFBDRO CCc1cc(NCC[N@H+](C)CCOC)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000171070386 509923563 /nfs/dbraw/zinc/92/35/63/509923563.db2.gz ABVXQQXPWVRVAH-UHFFFAOYSA-N 1 0 359.430 2.604 20 5 FFBDRO COc1ccccc1CN(C)C(=O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180444004 509928072 /nfs/dbraw/zinc/92/80/72/509928072.db2.gz HXRBHBWWHLAYAT-CQSZACIVSA-N 1 0 357.410 2.913 20 5 FFBDRO C[C@H](c1ccc(Cl)cc1)[C@H](C)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000245457951 509946569 /nfs/dbraw/zinc/94/65/69/509946569.db2.gz CJCZLGBGKHJRLS-GDZNZVCISA-N 1 0 366.849 2.930 20 5 FFBDRO CC[NH+]1CCC(CCNC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC1 ZINC000174107373 509951078 /nfs/dbraw/zinc/95/10/78/509951078.db2.gz MQORIRPIQPRIMF-UHFFFAOYSA-N 1 0 371.441 2.632 20 5 FFBDRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000180487426 509951551 /nfs/dbraw/zinc/95/15/51/509951551.db2.gz LRKIEYBQTOLETB-OAHLLOKOSA-N 1 0 356.426 2.915 20 5 FFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000265284415 509966652 /nfs/dbraw/zinc/96/66/52/509966652.db2.gz JFMLLZICXQPKNK-KGLIPLIRSA-N 1 0 351.472 2.876 20 5 FFBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000177279586 509976290 /nfs/dbraw/zinc/97/62/90/509976290.db2.gz IAEYUEQUJBXOGC-GFCCVEGCSA-N 1 0 370.247 2.962 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000261803938 510069645 /nfs/dbraw/zinc/06/96/45/510069645.db2.gz MVNKWPHUPZFFSJ-LBPRGKRZSA-N 1 0 367.833 2.618 20 5 FFBDRO CC[C@@H]1CN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000184006512 510084169 /nfs/dbraw/zinc/08/41/69/510084169.db2.gz ATSAMWYYNCNAHR-QGZVFWFLSA-N 1 0 368.437 2.795 20 5 FFBDRO O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261870938 510095415 /nfs/dbraw/zinc/09/54/15/510095415.db2.gz SJIBDNZECCQJDT-PHIMTYICSA-N 1 0 357.332 2.685 20 5 FFBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000171389357 510125864 /nfs/dbraw/zinc/12/58/64/510125864.db2.gz RYTRLSRTPOGRLI-HNNXBMFYSA-N 1 0 360.458 2.730 20 5 FFBDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000261993295 510142110 /nfs/dbraw/zinc/14/21/10/510142110.db2.gz PDDOOORLVJNXGE-GHMZBOCLSA-N 1 0 374.363 2.611 20 5 FFBDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000180901310 510172021 /nfs/dbraw/zinc/17/20/21/510172021.db2.gz WANDDPSJVCAKDR-LBPRGKRZSA-N 1 0 363.414 2.564 20 5 FFBDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000262094377 510175871 /nfs/dbraw/zinc/17/58/71/510175871.db2.gz YVBDOXHHFOMBAI-HUUCEWRRSA-N 1 0 360.458 2.640 20 5 FFBDRO O=C(COc1ccccc1[N+](=O)[O-])Nc1ncc(C2CC[NH2+]CC2)s1 ZINC000262231844 510216927 /nfs/dbraw/zinc/21/69/27/510216927.db2.gz GXHCGBHAMJMSMI-UHFFFAOYSA-N 1 0 362.411 2.536 20 5 FFBDRO CS(=O)(=O)C1CCC([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000181116199 510278633 /nfs/dbraw/zinc/27/86/33/510278633.db2.gz VGWZZZVYNDIFIJ-OFLPRAFFSA-N 1 0 366.483 2.861 20 5 FFBDRO CC1CC[NH+](C2CCC(NC(=O)c3c(N)cccc3[N+](=O)[O-])CC2)CC1 ZINC000181253356 510324179 /nfs/dbraw/zinc/32/41/79/510324179.db2.gz HWEYROBJCWABLG-UHFFFAOYSA-N 1 0 360.458 2.950 20 5 FFBDRO O=[N+]([O-])c1cnn(CC[NH2+]C2(c3ccc4c(c3)OCCO4)CCCC2)c1 ZINC000174834453 510334172 /nfs/dbraw/zinc/33/41/72/510334172.db2.gz BSLSQPRESMHHSN-UHFFFAOYSA-N 1 0 358.398 2.622 20 5 FFBDRO CC(C)c1n[nH]c(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000269315720 510337451 /nfs/dbraw/zinc/33/74/51/510337451.db2.gz HFZWPGFOCCWJKL-UHFFFAOYSA-N 1 0 371.441 2.836 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)[C@@H](C)C1 ZINC000266007669 510355798 /nfs/dbraw/zinc/35/57/98/510355798.db2.gz RPEBHYPAAMJZLQ-WMLDXEAASA-N 1 0 358.442 2.738 20 5 FFBDRO Cc1ccc([C@@H](C)[NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000178001260 510369680 /nfs/dbraw/zinc/36/96/80/510369680.db2.gz FGUVHWKSAMMNNG-CQSZACIVSA-N 1 0 363.439 2.532 20 5 FFBDRO C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)c3ccc(F)cc3[N+](=O)[O-])nc2)C1 ZINC000269406618 510389506 /nfs/dbraw/zinc/38/95/06/510389506.db2.gz FVKVBVGTUAYICL-AWEZNQCLSA-N 1 0 373.388 2.522 20 5 FFBDRO Cc1cccc(C(=O)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)cn2)c1[N+](=O)[O-] ZINC000269417168 510396301 /nfs/dbraw/zinc/39/63/01/510396301.db2.gz JLYWZJBEVKOOST-OAHLLOKOSA-N 1 0 369.425 2.691 20 5 FFBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000187789261 510439216 /nfs/dbraw/zinc/43/92/16/510439216.db2.gz YOUBVKGEFGHZIE-VMPITWQZSA-N 1 0 366.421 2.784 20 5 FFBDRO Cc1ccc(S(=O)(=O)NCC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000181510503 510445715 /nfs/dbraw/zinc/44/57/15/510445715.db2.gz YQDKHABGYWRNRH-GFCCVEGCSA-N 1 0 369.468 2.594 20 5 FFBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N[C@H]3CC[NH2+][C@@H](C)C3)cc2[N+](=O)[O-])C1 ZINC000262866907 510449732 /nfs/dbraw/zinc/44/97/32/510449732.db2.gz LXNJCLVOTPDVFE-IVSAIRAKSA-N 1 0 374.485 2.947 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000175084389 510475270 /nfs/dbraw/zinc/47/52/70/510475270.db2.gz HIQGDGNKQSFGHV-UHFFFAOYSA-N 1 0 369.487 2.753 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(NCc2ccc(C[NH+]3CCC(O)CC3)cc2)n1 ZINC000178212446 510490414 /nfs/dbraw/zinc/49/04/14/510490414.db2.gz FTZHGJKSWKXZKU-UHFFFAOYSA-N 1 0 356.426 2.867 20 5 FFBDRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000266298928 510504323 /nfs/dbraw/zinc/50/43/23/510504323.db2.gz KNZKPXSRJATNRI-ZYHUDNBSSA-N 1 0 357.332 2.922 20 5 FFBDRO Cc1csc([C@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C2CC2)n1 ZINC000181621648 510506924 /nfs/dbraw/zinc/50/69/24/510506924.db2.gz VKUDDOPLHNIZJK-GDBMZVCRSA-N 1 0 363.439 2.840 20 5 FFBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1C[C@H]2CCC[C@@H](C1)C2O ZINC000172043616 510514331 /nfs/dbraw/zinc/51/43/31/510514331.db2.gz DODJAQDOKQXHKZ-ILMGOGQSSA-N 1 0 358.398 2.799 20 5 FFBDRO CCC[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1F ZINC000181682762 510537135 /nfs/dbraw/zinc/53/71/35/510537135.db2.gz MTPYENGVQAPQQU-BBRMVZONSA-N 1 0 354.357 2.561 20 5 FFBDRO C[C@H]1C[C@H](NC(=O)c2cccc([N+](=O)[O-])c2Br)C[N@@H+]1C1CC1 ZINC000184856909 510550271 /nfs/dbraw/zinc/55/02/71/510550271.db2.gz HUZIPDDPOCZUAB-UWVGGRQHSA-N 1 0 368.231 2.712 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000191365888 510625111 /nfs/dbraw/zinc/62/51/11/510625111.db2.gz SOZNRSLNLGELPA-HUUCEWRRSA-N 1 0 364.446 2.832 20 5 FFBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c2c(c1)COCO2 ZINC000269994375 510633531 /nfs/dbraw/zinc/63/35/31/510633531.db2.gz PXOKYTYGFFDDKX-JQHSSLGASA-N 1 0 360.410 2.899 20 5 FFBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC000185088813 510677795 /nfs/dbraw/zinc/67/77/95/510677795.db2.gz MEWPUZMMJSBFHY-BMGDILEWSA-N 1 0 372.469 2.640 20 5 FFBDRO CC(C)[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccc2c(c1)OCCO2 ZINC000181975333 510687041 /nfs/dbraw/zinc/68/70/41/510687041.db2.gz FZCKHDZMQAEJCB-LJQANCHMSA-N 1 0 373.409 2.515 20 5 FFBDRO Cc1cccc(C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC000266639024 510703841 /nfs/dbraw/zinc/70/38/41/510703841.db2.gz KMFFWERXUHEDMN-UHFFFAOYSA-N 1 0 361.442 2.620 20 5 FFBDRO Cc1ccc(C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000266647023 510708773 /nfs/dbraw/zinc/70/87/73/510708773.db2.gz MTANSGGBGYTXOK-UHFFFAOYSA-N 1 0 361.442 2.620 20 5 FFBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)cc1[N+](=O)[O-] ZINC000178682556 510719435 /nfs/dbraw/zinc/71/94/35/510719435.db2.gz ZJIPRLWSEVJJOM-CHWSQXEVSA-N 1 0 370.409 2.680 20 5 FFBDRO O=C(CCN1CC[NH+](C2CCCC2)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000185177446 510730276 /nfs/dbraw/zinc/73/02/76/510730276.db2.gz CGEQXZIRBIOIPM-UHFFFAOYSA-N 1 0 364.421 2.623 20 5 FFBDRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000182071820 510741879 /nfs/dbraw/zinc/74/18/79/510741879.db2.gz HFKIGJYYMDJUPF-OAHLLOKOSA-N 1 0 357.410 2.610 20 5 FFBDRO Cc1cccc(C[C@@H](CO)[NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000191606029 510746377 /nfs/dbraw/zinc/74/63/77/510746377.db2.gz QNRBRGWHSUXGNO-QAPCUYQASA-N 1 0 371.437 2.814 20 5 FFBDRO O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000182093133 510754345 /nfs/dbraw/zinc/75/43/45/510754345.db2.gz YVGAJNLPLWJVLB-LBPRGKRZSA-N 1 0 369.368 2.754 20 5 FFBDRO COc1cc(C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)cc([N+](=O)[O-])c1C ZINC000188416073 510755023 /nfs/dbraw/zinc/75/50/23/510755023.db2.gz OOCUUPJPTUFRLH-MRXNPFEDSA-N 1 0 361.442 2.906 20 5 FFBDRO COc1cc(C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)cc([N+](=O)[O-])c1C ZINC000188416096 510755037 /nfs/dbraw/zinc/75/50/37/510755037.db2.gz OOCUUPJPTUFRLH-INIZCTEOSA-N 1 0 361.442 2.906 20 5 FFBDRO CCn1cc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000191649705 510773125 /nfs/dbraw/zinc/77/31/25/510773125.db2.gz LFEXALHLCURRTL-INIZCTEOSA-N 1 0 371.441 2.548 20 5 FFBDRO CO[C@H](C)[C@H](C)[NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000191704541 510793933 /nfs/dbraw/zinc/79/39/33/510793933.db2.gz SHSZARIFKBHESJ-LPEHRKFASA-N 1 0 363.336 2.954 20 5 FFBDRO C[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000182176816 510797400 /nfs/dbraw/zinc/79/74/00/510797400.db2.gz JGFWEMUSFBAABL-AAEUAGOBSA-N 1 0 352.337 2.964 20 5 FFBDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000188511844 510804901 /nfs/dbraw/zinc/80/49/01/510804901.db2.gz JQTPGMDJKKGYGV-CYBMUJFWSA-N 1 0 369.425 2.527 20 5 FFBDRO COc1cccc(NCc2cccc(C(=O)NCC[NH+](C)C)c2)c1[N+](=O)[O-] ZINC000185341936 510814715 /nfs/dbraw/zinc/81/47/15/510814715.db2.gz XHTNVLLPWGERES-UHFFFAOYSA-N 1 0 372.425 2.507 20 5 FFBDRO C[C@H](CCNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000182237749 510828278 /nfs/dbraw/zinc/82/82/78/510828278.db2.gz UVXUYVQZDPKFSO-OAHLLOKOSA-N 1 0 371.441 2.775 20 5 FFBDRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000247110280 510837161 /nfs/dbraw/zinc/83/71/61/510837161.db2.gz DWXKROFEJHXYPI-PWSUYJOCSA-N 1 0 370.356 2.897 20 5 FFBDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000182302779 510847021 /nfs/dbraw/zinc/84/70/21/510847021.db2.gz ZCZYFQOHMWAUEI-UHFFFAOYSA-N 1 0 357.366 2.946 20 5 FFBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000247241034 510853807 /nfs/dbraw/zinc/85/38/07/510853807.db2.gz OQWYIBLHSJJRCO-YOEHRIQHSA-N 1 0 364.446 2.853 20 5 FFBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1OC ZINC000247496848 510863312 /nfs/dbraw/zinc/86/33/12/510863312.db2.gz UQPCNJFDTCBWLH-QWHCGFSZSA-N 1 0 365.430 2.557 20 5 FFBDRO CC[NH+](CC)CCNC(=O)c1ccc(Oc2ncc([N+](=O)[O-])c(C)n2)cc1 ZINC000297257744 510876298 /nfs/dbraw/zinc/87/62/98/510876298.db2.gz VUHWFNUOIHWNAH-UHFFFAOYSA-N 1 0 373.413 2.557 20 5 FFBDRO O=C(NC1CC[NH+](C2CCC2)CC1)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000297260984 510877366 /nfs/dbraw/zinc/87/73/66/510877366.db2.gz UTXNCLGDBHXUOX-UHFFFAOYSA-N 1 0 369.425 2.732 20 5 FFBDRO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000360436526 510907896 /nfs/dbraw/zinc/90/78/96/510907896.db2.gz LUEWAWKRRNBAQU-OAHLLOKOSA-N 1 0 368.437 2.914 20 5 FFBDRO C[NH+](C)C1(CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)CCC1 ZINC000275976219 510923856 /nfs/dbraw/zinc/92/38/56/510923856.db2.gz MBEMBHRVQRWDOB-UHFFFAOYSA-N 1 0 363.461 2.755 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[N@H+](C)CC1(C)C ZINC000330553694 510999275 /nfs/dbraw/zinc/99/92/75/510999275.db2.gz GHDJTXUXBLAVBG-NSHDSACASA-N 1 0 355.822 2.568 20 5 FFBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000270978095 511044667 /nfs/dbraw/zinc/04/46/67/511044667.db2.gz UYURQLMMENNALZ-CQSZACIVSA-N 1 0 371.441 2.583 20 5 FFBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@H]2CCC3(CCOCC3)[C@H]2O)c1 ZINC000282647685 511059028 /nfs/dbraw/zinc/05/90/28/511059028.db2.gz HOGYQJHUUKEUAO-WBMJQRKESA-N 1 0 354.834 2.906 20 5 FFBDRO C[C@]1(CCCO)CCC[N@@H+]1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000271177412 511109514 /nfs/dbraw/zinc/10/95/14/511109514.db2.gz GDPXAPCMWLFODJ-MRXNPFEDSA-N 1 0 355.822 2.814 20 5 FFBDRO CCC[C@H]([NH2+][C@@H]1CCN(C2CCOCC2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000362303857 511165016 /nfs/dbraw/zinc/16/50/16/511165016.db2.gz NUXVETDQKVFORK-ZWKOTPCHSA-N 1 0 361.442 2.806 20 5 FFBDRO C[C@H](O)C[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000279716833 511188489 /nfs/dbraw/zinc/18/84/89/511188489.db2.gz INFUBNLXAWDBFO-STQMWFEESA-N 1 0 353.394 2.688 20 5 FFBDRO Cn1cc(C[NH2+]C[C@H]2COC3(CCCC3)O2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000271397096 511190196 /nfs/dbraw/zinc/19/01/96/511190196.db2.gz HKNWRAKPJVRPBI-KRWDZBQOSA-N 1 0 372.425 2.771 20 5 FFBDRO COCCCOCC[N@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000271472906 511216512 /nfs/dbraw/zinc/21/65/12/511216512.db2.gz DCSWCRAVVHOUKU-UHFFFAOYSA-N 1 0 363.414 2.777 20 5 FFBDRO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)CC(=O)N2C ZINC000271523698 511233315 /nfs/dbraw/zinc/23/33/15/511233315.db2.gz VIZMVBBBAIAQMQ-CYBMUJFWSA-N 1 0 355.394 2.843 20 5 FFBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000362792367 511239031 /nfs/dbraw/zinc/23/90/31/511239031.db2.gz QNBOJHFHBDTJGW-DOTOQJQBSA-N 1 0 358.442 2.896 20 5 FFBDRO C[C@@H](CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])CN1CCCCC1 ZINC000271569679 511248793 /nfs/dbraw/zinc/24/87/93/511248793.db2.gz BNRCLNZIYDDQGT-NSHDSACASA-N 1 0 361.489 2.594 20 5 FFBDRO C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CCN2CCO[C@H]1C2 ZINC000295081150 511275340 /nfs/dbraw/zinc/27/53/40/511275340.db2.gz IFTSOZQSFIEDBR-HKUYNNGSSA-N 1 0 357.410 2.760 20 5 FFBDRO C[N@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@H]1CCN2CCO[C@H]1C2 ZINC000295101738 511282596 /nfs/dbraw/zinc/28/25/96/511282596.db2.gz KLNMESFNNVAIFN-HKUYNNGSSA-N 1 0 357.410 2.760 20 5 FFBDRO COc1cccc([C@H](C)[NH2+]CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)c1 ZINC000271717246 511299433 /nfs/dbraw/zinc/29/94/33/511299433.db2.gz WDKOCFXYOZLMQA-NSHDSACASA-N 1 0 373.365 2.621 20 5 FFBDRO CC[C@@H](C)[NH+]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000295285324 511348779 /nfs/dbraw/zinc/34/87/79/511348779.db2.gz BQGUPBMPQRIMOJ-GFCCVEGCSA-N 1 0 354.838 2.603 20 5 FFBDRO O=C(CC[N@@H+]1CCc2ccccc2[C@H]1CO)Nc1ccccc1[N+](=O)[O-] ZINC000283457183 511373509 /nfs/dbraw/zinc/37/35/09/511373509.db2.gz YOMXRMLPRUVNOG-GOSISDBHSA-N 1 0 355.394 2.515 20 5 FFBDRO Cc1cc(CNC(=O)c2cccc([O-])c2[N+](=O)[O-])cc(N2CCCC2)n1 ZINC000291932736 511396127 /nfs/dbraw/zinc/39/61/27/511396127.db2.gz OPAXSRYDECTJNS-UHFFFAOYSA-N 1 0 356.382 2.534 20 5 FFBDRO O=C(CCOc1ccccc1[N+](=O)[O-])NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000298764070 511402985 /nfs/dbraw/zinc/40/29/85/511402985.db2.gz DWIYAQMYDDYPJM-MRXNPFEDSA-N 1 0 373.409 2.910 20 5 FFBDRO C[C@H]1CN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC[N@@H+](C2CCC2)C1 ZINC000292077876 511456587 /nfs/dbraw/zinc/45/65/87/511456587.db2.gz DBMJHAIKDLJJRG-AWEZNQCLSA-N 1 0 371.441 2.951 20 5 FFBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000272201503 511463489 /nfs/dbraw/zinc/46/34/89/511463489.db2.gz PONACFVSSMXRIZ-AWEZNQCLSA-N 1 0 371.441 2.583 20 5 FFBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000272245943 511478987 /nfs/dbraw/zinc/47/89/87/511478987.db2.gz YHWHTTZTYLQTTB-LBPRGKRZSA-N 1 0 353.850 2.979 20 5 FFBDRO O=C(CC[N@@H+]1CCOC[C@@H](C2CCC2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000292157526 511487300 /nfs/dbraw/zinc/48/73/00/511487300.db2.gz OFUIDWOUBKMORZ-AWEZNQCLSA-N 1 0 365.405 2.811 20 5 FFBDRO Cc1ccc(C(=O)N2CCC[C@H]2CN2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000299195016 511547348 /nfs/dbraw/zinc/54/73/48/511547348.db2.gz MLHMHMCTCVKFCJ-UXLLHSPISA-N 1 0 361.442 2.617 20 5 FFBDRO COC(=O)[C@@H]1C[N@H+](Cc2csc([N+](=O)[O-])c2)C[C@H]1c1ccc(O)cc1 ZINC000296040314 511599078 /nfs/dbraw/zinc/59/90/78/511599078.db2.gz NZFXXZYFJSBAGX-LSDHHAIUSA-N 1 0 362.407 2.751 20 5 FFBDRO C[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1OCCc2sccc21 ZINC000292457684 511604304 /nfs/dbraw/zinc/60/43/04/511604304.db2.gz QBGUIYYAKOFQGO-MGPLVRAMSA-N 1 0 361.423 2.547 20 5 FFBDRO COCCN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H](C)c1ccccc1 ZINC000299383601 511616880 /nfs/dbraw/zinc/61/68/80/511616880.db2.gz HVLOTKUTMBTRKZ-CQSZACIVSA-N 1 0 357.410 2.903 20 5 FFBDRO CNC(=O)[C@@]1(C)CC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000281072521 511710940 /nfs/dbraw/zinc/71/09/40/511710940.db2.gz INIQSPQSFCCCRA-KRWDZBQOSA-N 1 0 360.439 2.676 20 5 FFBDRO C[C@@H](c1ccc(N)c([N+](=O)[O-])c1)[N@H+]1C[C@H]2C[C@H](Cn3c2cccc3=O)C1 ZINC000296399725 511728295 /nfs/dbraw/zinc/72/82/95/511728295.db2.gz KKQHSWASCULCNG-KCQAQPDRSA-N 1 0 354.410 2.519 20 5 FFBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3)C[C@@H]21 ZINC000317044450 511804068 /nfs/dbraw/zinc/80/40/68/511804068.db2.gz OUSHDWFHBPFLDO-QCZZGDTMSA-N 1 0 368.231 2.557 20 5 FFBDRO CCNC(=O)C[C@@H]1CCCC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000284772675 511862967 /nfs/dbraw/zinc/86/29/67/511862967.db2.gz MVCYTIAMIUGJID-AWEZNQCLSA-N 1 0 373.413 2.526 20 5 FFBDRO O=[N+]([O-])c1ccc2c(ccnc2N2CCC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000296725356 511871601 /nfs/dbraw/zinc/87/16/01/511871601.db2.gz HWGATAWIGUVAIG-HNNXBMFYSA-N 1 0 356.426 2.692 20 5 FFBDRO O=C(NC1CC[NH+](C2CCC2)CC1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000296790064 511897091 /nfs/dbraw/zinc/89/70/91/511897091.db2.gz BMKMPWFADKANCI-UHFFFAOYSA-N 1 0 369.425 2.527 20 5 FFBDRO CN(CCC[NH+]1CCCC1)C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000281658308 511921773 /nfs/dbraw/zinc/92/17/73/511921773.db2.gz ISGJAWYCQKWIGX-UHFFFAOYSA-N 1 0 370.247 2.915 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCO[C@H](C(C)C)C1 ZINC000293336673 511928766 /nfs/dbraw/zinc/92/87/66/511928766.db2.gz YMCNZIDTIDEJKZ-KRWDZBQOSA-N 1 0 365.430 2.679 20 5 FFBDRO O=C(NC1CC[NH+](C2CCC2)CC1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000296875282 511932715 /nfs/dbraw/zinc/93/27/15/511932715.db2.gz HKYRUAJLWXNLMV-UHFFFAOYSA-N 1 0 372.469 2.942 20 5 FFBDRO CC[N@@H+]1CC[C@H]2OCCN(Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)[C@H]2C1 ZINC000293394086 511948219 /nfs/dbraw/zinc/94/82/19/511948219.db2.gz XJGJWNQOPYEODD-ZWKOTPCHSA-N 1 0 372.425 2.545 20 5 FFBDRO C[C@@H]([NH2+][C@@H](CO)Cc1c[nH]c2ccccc12)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293572194 512013793 /nfs/dbraw/zinc/01/37/93/512013793.db2.gz DNZYDBVAPGOGQC-IUODEOHRSA-N 1 0 354.410 2.913 20 5 FFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC1CC[NH+](C2CCC2)CC1 ZINC000297169517 512046136 /nfs/dbraw/zinc/04/61/36/512046136.db2.gz NFIWMFPGOBEOGQ-UHFFFAOYSA-N 1 0 351.834 2.924 20 5 FFBDRO CS[C@H]1CN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000275129600 512050292 /nfs/dbraw/zinc/05/02/92/512050292.db2.gz OJYMBBLIDJMHHV-KGLIPLIRSA-N 1 0 369.874 2.900 20 5 FFBDRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293743980 512070365 /nfs/dbraw/zinc/07/03/65/512070365.db2.gz HYETYVSFICVFRR-SNVBAGLBSA-N 1 0 357.332 2.828 20 5 FFBDRO C[C@H]([NH2+][C@H]1CCO[C@@H]1C1CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000373811852 512517868 /nfs/dbraw/zinc/51/78/68/512517868.db2.gz GGXKNUOBTARGRJ-ULKVUYOBSA-N 1 0 353.806 2.732 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCC3(CCC[N@H+]3C)CC2)c1 ZINC000374005031 512616460 /nfs/dbraw/zinc/61/64/60/512616460.db2.gz BUNRCJFHRQUCBA-UHFFFAOYSA-N 1 0 361.442 2.759 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCCC23CC[NH+](C)CC3)c1 ZINC000374004347 512616591 /nfs/dbraw/zinc/61/65/91/512616591.db2.gz WZOAFTMZXRYWNK-UHFFFAOYSA-N 1 0 361.442 2.759 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000372164080 512739890 /nfs/dbraw/zinc/73/98/90/512739890.db2.gz JVGIVFXIAFLDNX-LYRGGWFBSA-N 1 0 367.833 2.572 20 5 FFBDRO Cc1ccc(C2CC[NH+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)CC2)cn1 ZINC000370079356 512757029 /nfs/dbraw/zinc/75/70/29/512757029.db2.gz BVSJKUIMSHEVNA-IBGZPJMESA-N 1 0 371.437 2.918 20 5 FFBDRO CCOC(=O)C1(COC)CC[NH+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000370111260 512772482 /nfs/dbraw/zinc/77/24/82/512772482.db2.gz JZCJZBOXQHBQBL-AWEZNQCLSA-N 1 0 350.415 2.948 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000374429931 512829292 /nfs/dbraw/zinc/82/92/92/512829292.db2.gz QOUBTSVFGHACGJ-KVSKMBFKSA-N 1 0 363.458 2.677 20 5 FFBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000372356094 512831517 /nfs/dbraw/zinc/83/15/17/512831517.db2.gz IAGFFLQPZCTOAH-HNNXBMFYSA-N 1 0 364.398 2.785 20 5 FFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+]C(C)(C)CN1CCOCC1 ZINC000411999013 512908365 /nfs/dbraw/zinc/90/83/65/512908365.db2.gz ARNFQSAUVSLBFU-UHFFFAOYSA-N 1 0 351.447 2.582 20 5 FFBDRO COCC[C@@H]1CCCC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000368655871 513044469 /nfs/dbraw/zinc/04/44/69/513044469.db2.gz QEZGMIDBFFAJIW-HNNXBMFYSA-N 1 0 361.442 2.623 20 5 FFBDRO Cc1cc(-c2noc([C@@H](C)NCCn3cc([N+](=O)[O-])cn3)n2)ccc1F ZINC000370708089 513064560 /nfs/dbraw/zinc/06/45/60/513064560.db2.gz IIKGYONQPRLRPF-LLVKDONJSA-N 1 0 360.349 2.640 20 5 FFBDRO COC(=O)[C@@]1(c2ccccc2)CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000428773784 513187067 /nfs/dbraw/zinc/18/70/67/513187067.db2.gz RWPSTUDKABUTLM-FQEVSTJZSA-N 1 0 370.405 2.790 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H](SC)[C@H]([NH+](C)C)C1 ZINC000439885108 513203745 /nfs/dbraw/zinc/20/37/45/513203745.db2.gz BSPZMHPIFIVHFT-UKRRQHHQSA-N 1 0 368.459 2.503 20 5 FFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000428997143 513246094 /nfs/dbraw/zinc/24/60/94/513246094.db2.gz RYVYKWQUXBKSLB-ATNYBXOESA-N 1 0 360.458 2.584 20 5 FFBDRO O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000415443103 513263215 /nfs/dbraw/zinc/26/32/15/513263215.db2.gz QPTQZDMNUMOTTQ-SKDRFNHKSA-N 1 0 358.320 2.829 20 5 FFBDRO CC(C)[C@H]([NH3+])CNC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000429186052 513300974 /nfs/dbraw/zinc/30/09/74/513300974.db2.gz GDANCSSBKRWFKF-LLVKDONJSA-N 1 0 362.352 2.515 20 5 FFBDRO Cc1c(NC(=O)CC[NH2+][C@@H]2Cc3cccc(O)c3C2)cccc1[N+](=O)[O-] ZINC000429228805 513310814 /nfs/dbraw/zinc/31/08/14/513310814.db2.gz FYCHOSZKRLXCBT-CQSZACIVSA-N 1 0 355.394 2.694 20 5 FFBDRO C[C@H](NC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000417974297 513312227 /nfs/dbraw/zinc/31/22/27/513312227.db2.gz DAMPDLSWBIHBAE-RRQGHBQHSA-N 1 0 354.410 2.711 20 5 FFBDRO Cc1c(NC(=O)N[C@@](C)(C[NH3+])C2CC2)cc(Br)cc1[N+](=O)[O-] ZINC000415653205 513363911 /nfs/dbraw/zinc/36/39/11/513363911.db2.gz IAKAHXNFNMVYNG-AWEZNQCLSA-N 1 0 371.235 2.915 20 5 FFBDRO C[C@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC[N@@H+](C2CCC2)C1 ZINC000429409198 513369456 /nfs/dbraw/zinc/36/94/56/513369456.db2.gz OHFTYDAKPQCQPU-HNNXBMFYSA-N 1 0 360.458 2.730 20 5 FFBDRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000418096365 513370119 /nfs/dbraw/zinc/37/01/19/513370119.db2.gz WZQPAXSLCSVSOX-BXUZGUMPSA-N 1 0 374.363 2.930 20 5 FFBDRO C[C@@H]1[NH2+]CCN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[C@H]1C ZINC000418098474 513371585 /nfs/dbraw/zinc/37/15/85/513371585.db2.gz ZZGXHDCVNPQOLB-UWVGGRQHSA-N 1 0 360.336 2.505 20 5 FFBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000421703971 513377192 /nfs/dbraw/zinc/37/71/92/513377192.db2.gz NQNIORNVKZKPPQ-CQSZACIVSA-N 1 0 360.439 2.885 20 5 FFBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000421709104 513380826 /nfs/dbraw/zinc/38/08/26/513380826.db2.gz CNOXTDNWQKVOHO-LBPRGKRZSA-N 1 0 356.220 2.524 20 5 FFBDRO C[C@@H]1CCCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)[C@@H]1C[NH3+] ZINC000415700556 513388097 /nfs/dbraw/zinc/38/80/97/513388097.db2.gz MSSGMSJWASELQC-NOZJJQNGSA-N 1 0 371.235 2.948 20 5 FFBDRO CC(C)(C)[C@H](C[NH3+])NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415700920 513388253 /nfs/dbraw/zinc/38/82/53/513388253.db2.gz NKMWXRZBLFVBIP-NSHDSACASA-N 1 0 359.224 2.852 20 5 FFBDRO [NH3+]C[C@@H](NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)C1CCCC1 ZINC000415708151 513392579 /nfs/dbraw/zinc/39/25/79/513392579.db2.gz XBLQXIPFUHCQSZ-CYBMUJFWSA-N 1 0 371.235 2.996 20 5 FFBDRO CC(C)C[C@H](C[NH3+])NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415708597 513392280 /nfs/dbraw/zinc/39/22/80/513392280.db2.gz XJEKVRAYIPDDNS-LLVKDONJSA-N 1 0 359.224 2.852 20 5 FFBDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)[C@@H]2C1 ZINC000425067524 513399832 /nfs/dbraw/zinc/39/98/32/513399832.db2.gz RQDJRZFOFHEDEZ-IINYFYTJSA-N 1 0 357.332 2.780 20 5 FFBDRO CCn1c(C)nc([N+](=O)[O-])c1N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425272639 513486460 /nfs/dbraw/zinc/48/64/60/513486460.db2.gz HDQQUJFYRPGEMV-DLBZAZTESA-N 1 0 355.442 2.830 20 5 FFBDRO NC(=O)c1cc([N+](=O)[O-])cnc1S[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000425285112 513491310 /nfs/dbraw/zinc/49/13/10/513491310.db2.gz SAYUJTPBZIACGS-OAHLLOKOSA-N 1 0 372.450 2.845 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCc2ccc3c(c2)OCCO3)n1 ZINC000447510927 513493524 /nfs/dbraw/zinc/49/35/24/513493524.db2.gz RBJQYUIPSAWXLE-HZPDHXFCSA-N 1 0 372.425 2.879 20 5 FFBDRO C[C@@H](NC(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2)c1cccc([N+](=O)[O-])c1 ZINC000415959216 513499521 /nfs/dbraw/zinc/49/95/21/513499521.db2.gz MLKSDASJFPYZIB-BXUZGUMPSA-N 1 0 355.398 2.689 20 5 FFBDRO C[C@H](NC(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2)c1cccc([N+](=O)[O-])c1 ZINC000415959221 513500191 /nfs/dbraw/zinc/50/01/91/513500191.db2.gz MLKSDASJFPYZIB-FZMZJTMJSA-N 1 0 355.398 2.689 20 5 FFBDRO NC(=O)Nc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000447535691 513500683 /nfs/dbraw/zinc/50/06/83/513500683.db2.gz HTBVADQJVXVAMS-CABCVRRESA-N 1 0 358.402 2.555 20 5 FFBDRO CSC1(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCOCC1 ZINC000447588811 513516096 /nfs/dbraw/zinc/51/60/96/513516096.db2.gz VOFAWRTVLJXXQY-KGLIPLIRSA-N 1 0 354.476 2.777 20 5 FFBDRO CCC[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](C)c1ccccc1OC ZINC000441289774 513531262 /nfs/dbraw/zinc/53/12/62/513531262.db2.gz VHFJHCXESKTZDD-HOCLYGCPSA-N 1 0 362.430 2.634 20 5 FFBDRO [NH3+]CC[C@@H](NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)C(F)(F)F ZINC000416005177 513534014 /nfs/dbraw/zinc/53/40/14/513534014.db2.gz JHHMYRZCAKVXGN-CYBMUJFWSA-N 1 0 360.336 2.549 20 5 FFBDRO C[NH+](C)[C@H]1CCOc2c(NC(=O)c3c(N)cccc3[N+](=O)[O-])cccc21 ZINC000447724019 513553018 /nfs/dbraw/zinc/55/30/18/513553018.db2.gz SQXJHOUPNSWYKQ-AWEZNQCLSA-N 1 0 356.382 2.815 20 5 FFBDRO CC[NH+](CC)CC[C@H](CO)Nc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413277271 513564229 /nfs/dbraw/zinc/56/42/29/513564229.db2.gz XGJGQCUKFJPBBV-SNVBAGLBSA-N 1 0 350.341 2.513 20 5 FFBDRO COc1ccc(CN2CC[NH2+]CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000435375818 513568460 /nfs/dbraw/zinc/56/84/60/513568460.db2.gz WXLVKOJTAHCXIF-UHFFFAOYSA-N 1 0 357.410 2.588 20 5 FFBDRO Cc1csc(Sc2ccc(C(=O)NC[C@@H](C)C[NH3+])cc2[N+](=O)[O-])n1 ZINC000441604483 513599236 /nfs/dbraw/zinc/59/92/36/513599236.db2.gz NOGXXLALMBQSQH-VIFPVBQESA-N 1 0 366.468 2.836 20 5 FFBDRO O=C(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000418664212 513601273 /nfs/dbraw/zinc/60/12/73/513601273.db2.gz ZVDDSOWVDUHASP-YTQUADARSA-N 1 0 372.469 2.872 20 5 FFBDRO COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000451228186 513609480 /nfs/dbraw/zinc/60/94/80/513609480.db2.gz HRPYFGOWQDIWRZ-WQVCFCJDSA-N 1 0 363.414 2.633 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000435577432 513623275 /nfs/dbraw/zinc/62/32/75/513623275.db2.gz UOPPRXKRAXIUHB-HNNXBMFYSA-N 1 0 372.450 2.836 20 5 FFBDRO COc1ccc(OCC[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)c([N+](=O)[O-])c1 ZINC000451339694 513685761 /nfs/dbraw/zinc/68/57/61/513685761.db2.gz IWEKXYVQTYSJTD-JZXOWHBKSA-N 1 0 364.442 2.998 20 5 FFBDRO O=C(CC[N@H+]1CCCC[C@@H]1[C@H]1CCC[C@H]1O)Nc1ccccc1[N+](=O)[O-] ZINC000451340830 513686900 /nfs/dbraw/zinc/68/69/00/513686900.db2.gz KJIZTYLGQCPKFA-QGPMSJSTSA-N 1 0 361.442 2.939 20 5 FFBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NCC3([NH+](C)C)CC3)cc2[N+](=O)[O-])C1 ZINC000416292013 513693385 /nfs/dbraw/zinc/69/33/85/513693385.db2.gz PYPYUMKMIKPFGS-HUUCEWRRSA-N 1 0 374.485 2.901 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2[NH2+]CCCC2(C)C)cc1SC ZINC000430706255 513727671 /nfs/dbraw/zinc/72/76/71/513727671.db2.gz CUZLDZXCXPUSOB-OAHLLOKOSA-N 1 0 367.471 2.833 20 5 FFBDRO CCC[NH+]1CCC(N(C)S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)CC1 ZINC000416394172 513749095 /nfs/dbraw/zinc/74/90/95/513749095.db2.gz UIQULELTXXZWST-UHFFFAOYSA-N 1 0 369.487 2.707 20 5 FFBDRO C[N@@H+]1CC[C@H](CNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000436068810 513750374 /nfs/dbraw/zinc/75/03/74/513750374.db2.gz QHOAGHWLCJTKBO-GFCCVEGCSA-N 1 0 353.397 2.502 20 5 FFBDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])C1 ZINC000448419313 513753485 /nfs/dbraw/zinc/75/34/85/513753485.db2.gz VQIGTTRZBFWOBZ-CYBMUJFWSA-N 1 0 351.451 2.539 20 5 FFBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H]2C[C@@](C)(OC)C2(C)C)c([N+](=O)[O-])c1 ZINC000451484800 513780178 /nfs/dbraw/zinc/78/01/78/513780178.db2.gz HRPIUQAQLQYNEJ-CRAIPNDOSA-N 1 0 365.430 2.725 20 5 FFBDRO CC(C)O[C@H]1C[C@H]([NH2+]CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1(C)C ZINC000451492169 513786118 /nfs/dbraw/zinc/78/61/18/513786118.db2.gz FRYXTFSLLUCKLG-IRXDYDNUSA-N 1 0 361.442 2.666 20 5 FFBDRO CC(C)C[N@@H+]1CCO[C@@H](CNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000436272814 513813418 /nfs/dbraw/zinc/81/34/18/513813418.db2.gz IDMSGVPFYXLDIV-NSHDSACASA-N 1 0 362.352 2.777 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H]([C@H](CO)C1CC1)C1CC1 ZINC000451606531 513862476 /nfs/dbraw/zinc/86/24/76/513862476.db2.gz LUEPXQPMZFHOFS-APWZRJJASA-N 1 0 361.442 2.619 20 5 FFBDRO O=C(C[NH2+][C@H]([C@H](CO)C1CC1)C1CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000451612795 513866139 /nfs/dbraw/zinc/86/61/39/513866139.db2.gz QGNJNCDXVRDMRP-DYVFJYSZSA-N 1 0 367.833 2.573 20 5 FFBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000448825086 513916548 /nfs/dbraw/zinc/91/65/48/513916548.db2.gz UWGSMTDHKHMHDD-OAHLLOKOSA-N 1 0 371.441 2.631 20 5 FFBDRO C[NH+](C)C[C@H]1CCc2ccccc2N1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000436718674 513955294 /nfs/dbraw/zinc/95/52/94/513955294.db2.gz FRUGGDYHDVNSHA-QGZVFWFLSA-N 1 0 369.421 2.883 20 5 FFBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]Cc1nc2ncccn2n1 ZINC000414259165 514025754 /nfs/dbraw/zinc/02/57/54/514025754.db2.gz GQRRXJAHVCBHFQ-ZFWWWQNUSA-N 1 0 352.398 2.534 20 5 FFBDRO CC[NH+](CC)C[C@H](C)NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431928488 514044004 /nfs/dbraw/zinc/04/40/04/514044004.db2.gz VSNXGJUAOYFCCU-JTQLQIEISA-N 1 0 358.236 2.817 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](Cc1ccccc1)C(=O)N(C)C ZINC000449121172 514080216 /nfs/dbraw/zinc/08/02/16/514080216.db2.gz GHYYQLUAWMQHNZ-MAUKXSAKSA-N 1 0 355.438 2.815 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000427018796 514093079 /nfs/dbraw/zinc/09/30/79/514093079.db2.gz CWSZJGHFBXHKNP-AEFFLSMTSA-N 1 0 355.394 2.779 20 5 FFBDRO Cc1cc(S(=O)(=O)Nc2ccc(C[NH+](C)C)cc2F)ccc1[N+](=O)[O-] ZINC000414399668 514093839 /nfs/dbraw/zinc/09/38/39/514093839.db2.gz VNEMNHMEJYLHSE-UHFFFAOYSA-N 1 0 367.402 2.905 20 5 FFBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H](CO)Cc2cc(F)c(F)c(F)c2)c1 ZINC000443991485 514094489 /nfs/dbraw/zinc/09/44/89/514094489.db2.gz VBLYSXWPSQCXOZ-CYBMUJFWSA-N 1 0 354.328 2.953 20 5 FFBDRO COc1cc(C[NH2+]CC[C@H]2COc3ccccc3O2)c([N+](=O)[O-])cc1O ZINC000414430217 514112034 /nfs/dbraw/zinc/11/20/34/514112034.db2.gz MBQPYPPTWQABEU-ZDUSSCGKSA-N 1 0 360.366 2.629 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCN(c2cccnc2)C1=O ZINC000449238207 514126522 /nfs/dbraw/zinc/12/65/22/514126522.db2.gz FQJUXRREQOIODC-PBHICJAKSA-N 1 0 354.410 2.706 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2noc(CN3CCCC[C@H]3[C@H]3CC[NH2+]C3)n2)cc1 ZINC000420390999 514126993 /nfs/dbraw/zinc/12/69/93/514126993.db2.gz IFMFNOSGOWPUJT-HOCLYGCPSA-N 1 0 357.414 2.609 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2noc(CN3CC[NH2+]C[C@@H]3c3ccccc3)n2)cc1 ZINC000420399379 514131123 /nfs/dbraw/zinc/13/11/23/514131123.db2.gz HMXWSACKIOKEFE-QGZVFWFLSA-N 1 0 365.393 2.791 20 5 FFBDRO CCO[C@@H]1CCCC[C@H]1[NH2+][C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000452037139 514152976 /nfs/dbraw/zinc/15/29/76/514152976.db2.gz UHLGTNPWUQCIGP-SRCQZFHVSA-N 1 0 365.430 2.868 20 5 FFBDRO C[C@@H]1C[N@@H+](C2CCN(c3ccnc4c3cccc4[N+](=O)[O-])CC2)CCO1 ZINC000432315797 514156655 /nfs/dbraw/zinc/15/66/55/514156655.db2.gz SKGMZRBYOBXFMB-CQSZACIVSA-N 1 0 356.426 2.833 20 5 FFBDRO C[C@@H]1CN(c2ccnc3c2cccc3[N+](=O)[O-])CC[C@H]1[NH+]1CCN(C)CC1 ZINC000432329417 514161887 /nfs/dbraw/zinc/16/18/87/514161887.db2.gz PKWUHMNGNVGIBU-NVXWUHKLSA-N 1 0 369.469 2.605 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCN(C)[C@H]1c1ccnn1C ZINC000449319475 514164188 /nfs/dbraw/zinc/16/41/88/514164188.db2.gz YWOFFMFZOIKXRL-RIFZZMRRSA-N 1 0 371.485 2.932 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)NCC[C@H]3CCC[NH2+]3)cc2[N+](=O)[O-])C1 ZINC000444265527 514172927 /nfs/dbraw/zinc/17/29/27/514172927.db2.gz GNRALPIYNKNRAH-GDBMZVCRSA-N 1 0 360.458 2.703 20 5 FFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H](CO)c1ccc(F)cc1 ZINC000449380425 514187746 /nfs/dbraw/zinc/18/77/46/514187746.db2.gz MYKBKWUCEVSROG-YVEFUNNKSA-N 1 0 361.373 2.774 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2nc3c(s2)C[C@@H]([NH3+])CC3)c1 ZINC000423652475 514193953 /nfs/dbraw/zinc/19/39/53/514193953.db2.gz XJXOSJBYOWCOFX-VIFPVBQESA-N 1 0 362.411 2.518 20 5 FFBDRO CC1(C)CN(C(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)CC[NH2+]1 ZINC000423704601 514207144 /nfs/dbraw/zinc/20/71/44/514207144.db2.gz FKPCLHMVJZCVMX-UHFFFAOYSA-N 1 0 353.397 2.644 20 5 FFBDRO O=C(c1cnn([C@@H]2CCC[NH2+]C2)c1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000423721611 514211711 /nfs/dbraw/zinc/21/17/11/514211711.db2.gz IWDHVOJSOXBKOS-GOSISDBHSA-N 1 0 369.425 2.521 20 5 FFBDRO CCOc1cc(NC(=O)N(C)C2CC[NH2+]CC2)c([N+](=O)[O-])cc1OCC ZINC000414753065 514273341 /nfs/dbraw/zinc/27/33/41/514273341.db2.gz CZCXIKHZUQMZHP-UHFFFAOYSA-N 1 0 366.418 2.608 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)cc1SC ZINC000449642207 514277366 /nfs/dbraw/zinc/27/73/66/514277366.db2.gz FWGWHWLHUSWUGZ-WDEREUQCSA-N 1 0 353.444 2.573 20 5 FFBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437987921 514283213 /nfs/dbraw/zinc/28/32/13/514283213.db2.gz RMXSVURGFNEJAY-CXAGYDPISA-N 1 0 358.442 2.752 20 5 FFBDRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 ZINC000423938605 514296580 /nfs/dbraw/zinc/29/65/80/514296580.db2.gz JPGFGLLTGGMWBC-HNNXBMFYSA-N 1 0 373.409 2.604 20 5 FFBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N(C)[C@H](C[NH3+])C3CC3)cc2[N+](=O)[O-])C1 ZINC000423943259 514299808 /nfs/dbraw/zinc/29/98/08/514299808.db2.gz COSXDKCVHNKLDL-BIENJYKASA-N 1 0 374.485 2.886 20 5 FFBDRO CC1(C)C[NH2+]CC[C@H]1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000449700902 514311819 /nfs/dbraw/zinc/31/18/19/514311819.db2.gz UZDMPGCICZGOTN-LJQANCHMSA-N 1 0 363.461 2.659 20 5 FFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000423971011 514314578 /nfs/dbraw/zinc/31/45/78/514314578.db2.gz JWHZUBVOBRLSPO-CJNGLKHVSA-N 1 0 351.834 2.781 20 5 FFBDRO O=[N+]([O-])c1cc(C[NH2+]CCN2CC[NH2+]CC2)ccc1Oc1ccc(F)cc1 ZINC000414868894 514331811 /nfs/dbraw/zinc/33/18/11/514331811.db2.gz QDTKZXRKTBMFBI-UHFFFAOYSA-N 1 0 374.416 2.521 20 5 FFBDRO [NH3+][C@@H]1CCO[C@@H](C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)CC2)C1 ZINC000424003938 514334293 /nfs/dbraw/zinc/33/42/93/514334293.db2.gz ALSFKFBFAZOHHM-MLGOLLRUSA-N 1 0 367.833 2.607 20 5 FFBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccccc1CC[NH+](C)C ZINC000438241055 514335512 /nfs/dbraw/zinc/33/55/12/514335512.db2.gz QAXWIPYNJBTLAC-UHFFFAOYSA-N 1 0 363.439 2.808 20 5 FFBDRO Cc1c(CC(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000424027745 514348105 /nfs/dbraw/zinc/34/81/05/514348105.db2.gz MWIIGQIYXGSHES-DOTOQJQBSA-N 1 0 357.385 2.538 20 5 FFBDRO COc1cc(CN[C@H]2CCC[C@@H]([NH3+])C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000414907053 514350299 /nfs/dbraw/zinc/35/02/99/514350299.db2.gz AIGRMUCGXLKWDZ-NEPJUHHUSA-N 1 0 359.373 2.607 20 5 FFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000424034765 514350605 /nfs/dbraw/zinc/35/06/05/514350605.db2.gz BQWJEUYPOZGAMG-KRWDZBQOSA-N 1 0 361.442 2.844 20 5 FFBDRO C[C@H]1CN(CCO)CC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000449788679 514353132 /nfs/dbraw/zinc/35/31/32/514353132.db2.gz YLCVBJZNTUWHOG-AWEZNQCLSA-N 1 0 361.467 2.822 20 5 FFBDRO C[C@@H]1CN(CCO)CC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000449787950 514353240 /nfs/dbraw/zinc/35/32/40/514353240.db2.gz WWDGXOMLTKCTEV-CQSZACIVSA-N 1 0 361.467 2.822 20 5 FFBDRO CCOc1ccc(C(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)cc1[N+](=O)[O-] ZINC000424046366 514356730 /nfs/dbraw/zinc/35/67/30/514356730.db2.gz VMXAZAYQYQWTOG-KRWDZBQOSA-N 1 0 361.442 2.844 20 5 FFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H]([NH3+])Cc2ccccc21 ZINC000424068909 514367424 /nfs/dbraw/zinc/36/74/24/514367424.db2.gz BFNIBMDBIIXZCS-GXTWGEPZSA-N 1 0 357.435 2.992 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000424074361 514370133 /nfs/dbraw/zinc/37/01/33/514370133.db2.gz NYCGVFINEHGJCQ-NDBYEHHHSA-N 1 0 369.849 2.847 20 5 FFBDRO [NH3+]C1(CNC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CCCCC1 ZINC000414949460 514371289 /nfs/dbraw/zinc/37/12/89/514371289.db2.gz NLZOSTWEYCPGOT-UHFFFAOYSA-N 1 0 358.345 2.979 20 5 FFBDRO C[C@@H]1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)[C@@H](C[NH3+])C1 ZINC000414952063 514372712 /nfs/dbraw/zinc/37/27/12/514372712.db2.gz QLPJWUOFUJUJMO-MWLCHTKSSA-N 1 0 358.345 2.787 20 5 FFBDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000414954625 514374127 /nfs/dbraw/zinc/37/41/27/514374127.db2.gz SUHHQVJOKTUHMX-NXEZZACHSA-N 1 0 358.345 2.787 20 5 FFBDRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000428021765 514376880 /nfs/dbraw/zinc/37/68/80/514376880.db2.gz ONSSAWIYQGYYJS-AWEZNQCLSA-N 1 0 374.441 2.614 20 5 FFBDRO COc1ccc(-c2ccc(CN[C@@H](CC[NH3+])C(F)F)o2)c([N+](=O)[O-])c1 ZINC000414983511 514386510 /nfs/dbraw/zinc/38/65/10/514386510.db2.gz CCJIKXVUDAFLMT-ZDUSSCGKSA-N 1 0 355.341 2.936 20 5 FFBDRO CC[C@@H]1C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C[C@H](CC)O1 ZINC000420946429 514395527 /nfs/dbraw/zinc/39/55/27/514395527.db2.gz BSYWNVSLVMEVTQ-GASCZTMLSA-N 1 0 365.430 2.821 20 5 FFBDRO CC1(C)C[C@H]([NH2+]C[C@H]2CCCCS2(=O)=O)c2cc([N+](=O)[O-])ccc21 ZINC000433219030 514426480 /nfs/dbraw/zinc/42/64/80/514426480.db2.gz ILVOPXSGXFPDLU-CJNGLKHVSA-N 1 0 352.456 2.874 20 5 FFBDRO CN(Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)C[C@H](O)C[NH3+] ZINC000415070956 514429658 /nfs/dbraw/zinc/42/96/58/514429658.db2.gz RUYBDEHTFITUPM-CYBMUJFWSA-N 1 0 365.817 2.792 20 5 FFBDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000438865464 514454957 /nfs/dbraw/zinc/45/49/57/514454957.db2.gz GRJWTIQUYGFHFQ-GOSISDBHSA-N 1 0 362.474 2.947 20 5 FFBDRO C[C@@H](C(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)[N@H+](C)Cc1ccccc1 ZINC000461391855 514589748 /nfs/dbraw/zinc/58/97/48/514589748.db2.gz CMTACOUEORDWFT-HNNXBMFYSA-N 1 0 369.421 2.836 20 5 FFBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000458166556 514594931 /nfs/dbraw/zinc/59/49/31/514594931.db2.gz CHOFEZSYDNDZAW-HNNXBMFYSA-N 1 0 360.458 2.657 20 5 FFBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)CSc1ccccc1[N+](=O)[O-] ZINC000479474417 514598908 /nfs/dbraw/zinc/59/89/08/514598908.db2.gz MRHXDBOZYWXODI-CYBMUJFWSA-N 1 0 351.472 2.876 20 5 FFBDRO C[NH+](C)CCN(Cc1ccsc1)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000458209320 514630824 /nfs/dbraw/zinc/63/08/24/514630824.db2.gz YIOVCCJDJVGXLS-UHFFFAOYSA-N 1 0 362.455 2.659 20 5 FFBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000458222275 514639897 /nfs/dbraw/zinc/63/98/97/514639897.db2.gz QLNRQVCUHCXMCR-NSHDSACASA-N 1 0 357.357 2.658 20 5 FFBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC000484513133 514672309 /nfs/dbraw/zinc/67/23/09/514672309.db2.gz IPCYBDAODOASBW-IJEWVQPXSA-N 1 0 360.458 2.640 20 5 FFBDRO Cc1c(CNC(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000479687261 514689846 /nfs/dbraw/zinc/68/98/46/514689846.db2.gz HBZJNXVLKHRFHZ-UHFFFAOYSA-N 1 0 374.416 2.974 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(CCC[NH3+])Cc1ccccc1 ZINC000479759531 514714113 /nfs/dbraw/zinc/71/41/13/514714113.db2.gz ZFEUXLWXCQVDOL-UHFFFAOYSA-N 1 0 356.426 2.693 20 5 FFBDRO CC[NH+]1CCN(CCNc2cc(C)c([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000461775952 514732269 /nfs/dbraw/zinc/73/22/69/514732269.db2.gz AGRKYWDPBVXHAQ-UHFFFAOYSA-N 1 0 360.380 2.971 20 5 FFBDRO Cc1nc(N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000471058819 514736390 /nfs/dbraw/zinc/73/63/90/514736390.db2.gz GPHDLCKQNQTDLW-SJORKVTESA-N 1 0 356.426 2.593 20 5 FFBDRO CCCC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000502713892 514749834 /nfs/dbraw/zinc/74/98/34/514749834.db2.gz UBODHGIHWNEDSC-OAHLLOKOSA-N 1 0 369.487 2.836 20 5 FFBDRO COc1ccc(OCC[N@@H+]2CCC[C@]2(CO)CC(C)C)c([N+](=O)[O-])c1 ZINC000475714854 514774670 /nfs/dbraw/zinc/77/46/70/514774670.db2.gz LBPDDTLRJVFTKJ-GOSISDBHSA-N 1 0 352.431 2.855 20 5 FFBDRO Cc1cc(N[C@H](C)CN2CC[NH+](C)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461935082 514794745 /nfs/dbraw/zinc/79/47/45/514794745.db2.gz JERJGMQNQHCXHK-GFCCVEGCSA-N 1 0 360.380 2.970 20 5 FFBDRO COCC[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@@H]1CC[C@@H](C)C1 ZINC000484890428 514832777 /nfs/dbraw/zinc/83/27/77/514832777.db2.gz FJMQPTAUFUPJGB-GDBMZVCRSA-N 1 0 361.442 2.621 20 5 FFBDRO C[C@@H](O)C[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)[C@H](C)C1 ZINC000480202537 514877382 /nfs/dbraw/zinc/87/73/82/514877382.db2.gz YKWMZEATXDKHEY-ZIAGYGMSSA-N 1 0 351.447 2.663 20 5 FFBDRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000498362952 514882174 /nfs/dbraw/zinc/88/21/74/514882174.db2.gz HQTRDXIFFJZDIR-HOCLYGCPSA-N 1 0 373.409 2.868 20 5 FFBDRO C[C@@H]1C[NH+](CC2CCN(c3ccc([N+](=O)[O-])c(N)c3F)CC2)C[C@@H](C)O1 ZINC000476095115 514914294 /nfs/dbraw/zinc/91/42/94/514914294.db2.gz JWTHNKSJKXOCEH-CHWSQXEVSA-N 1 0 366.437 2.642 20 5 FFBDRO C[C@H](NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)C1=CC[N@H+](C)CC1 ZINC000467218880 514943779 /nfs/dbraw/zinc/94/37/79/514943779.db2.gz RFUHTSLNJAMYJP-NSHDSACASA-N 1 0 352.822 2.698 20 5 FFBDRO COc1c(C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000476249535 514966816 /nfs/dbraw/zinc/96/68/16/514966816.db2.gz FZYDUGYNBNUFKF-UHFFFAOYSA-N 1 0 361.373 2.604 20 5 FFBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000458658059 514994110 /nfs/dbraw/zinc/99/41/10/514994110.db2.gz UTXVIFYPXAGZIN-LBPRGKRZSA-N 1 0 354.838 2.779 20 5 FFBDRO COc1c(C(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000476310136 514994021 /nfs/dbraw/zinc/99/40/21/514994021.db2.gz UKMBMLZRWHSLAG-GDBMZVCRSA-N 1 0 369.421 2.996 20 5 FFBDRO COc1c(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000476334807 515006728 /nfs/dbraw/zinc/00/67/28/515006728.db2.gz GDILTRBPXWVRIN-INIZCTEOSA-N 1 0 369.421 2.950 20 5 FFBDRO Cc1nn(Cc2ccc(C(=O)N[C@H](C)CC[NH+](C)C)cc2)c(C)c1[N+](=O)[O-] ZINC000498647679 515008296 /nfs/dbraw/zinc/00/82/96/515008296.db2.gz VQNMYUXJVKWMHU-CYBMUJFWSA-N 1 0 373.457 2.526 20 5 FFBDRO Cn1c(C(=O)N2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000471781898 515010389 /nfs/dbraw/zinc/01/03/89/515010389.db2.gz QOXUVSBIGYEWNZ-SJORKVTESA-N 1 0 370.453 2.746 20 5 FFBDRO C[C@H]1CC[N@H+](C)CCN1C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000498723684 515040719 /nfs/dbraw/zinc/04/07/19/515040719.db2.gz YPFIOEYPQCKUPG-LBPRGKRZSA-N 1 0 360.439 2.885 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)c1C ZINC000498879573 515100497 /nfs/dbraw/zinc/10/04/97/515100497.db2.gz GLARBXILOHUKAT-CQSZACIVSA-N 1 0 369.487 2.562 20 5 FFBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCC[NH+](C(C)C)C(C)C ZINC000467797537 515125133 /nfs/dbraw/zinc/12/51/33/515125133.db2.gz UUXUWALPSOJBRK-UHFFFAOYSA-N 1 0 371.503 2.944 20 5 FFBDRO CCC[NH+]1CCC(CNC(=O)N(C)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000490224263 515144875 /nfs/dbraw/zinc/14/48/75/515144875.db2.gz XFNORJODTFTBSQ-UHFFFAOYSA-N 1 0 362.474 2.901 20 5 FFBDRO C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccccn1)c1ccc([N+](=O)[O-])cc1 ZINC000458894523 515179085 /nfs/dbraw/zinc/17/90/85/515179085.db2.gz ZDFXFLVKOYHYAR-HNNXBMFYSA-N 1 0 371.441 2.824 20 5 FFBDRO CC[NH+](CC)CCCNS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000499101081 515200174 /nfs/dbraw/zinc/20/01/74/515200174.db2.gz IZVYWPGSVWAKRQ-UHFFFAOYSA-N 1 0 363.867 2.567 20 5 FFBDRO CC[C@@H](C)[NH+]1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000456535427 515242296 /nfs/dbraw/zinc/24/22/96/515242296.db2.gz UGLGDTDTOURPRH-LLVKDONJSA-N 1 0 370.247 2.914 20 5 FFBDRO CCc1cc(N[C@@H]2CC[N@H+](C)[C@@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000462885091 515282544 /nfs/dbraw/zinc/28/25/44/515282544.db2.gz TWJLISKVLYLTLJ-XJKSGUPXSA-N 1 0 355.442 2.931 20 5 FFBDRO Cc1c[nH+]ccc1N1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000509916307 515367866 /nfs/dbraw/zinc/36/78/66/515367866.db2.gz AGRHFORVWJUJQH-UHFFFAOYSA-N 1 0 352.398 2.891 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+](Cc2ccccc2Cl)CC2CC2)c1 ZINC000510224781 515473887 /nfs/dbraw/zinc/47/38/87/515473887.db2.gz VKVCBJBVTVQNTG-INIZCTEOSA-N 1 0 364.833 2.718 20 5 FFBDRO COc1ccccc1[C@@H]1CC[C@H](C)C[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000510258616 515487034 /nfs/dbraw/zinc/48/70/34/515487034.db2.gz ZXOFNIBEKBOKLL-LESCRADOSA-N 1 0 374.441 2.634 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(N[C@H](C)C[NH+]2CCN(c3ccccc3)CC2)n1 ZINC000482000440 515543608 /nfs/dbraw/zinc/54/36/08/515543608.db2.gz PEBLKQHTFWZGHN-MRXNPFEDSA-N 1 0 355.442 2.921 20 5 FFBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C[C@H]1C ZINC000500109340 515592636 /nfs/dbraw/zinc/59/26/36/515592636.db2.gz BOAADLOSVQQJQH-GHMZBOCLSA-N 1 0 370.247 2.912 20 5 FFBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)[N@H+](CC)C[C@@H]2C)cc1OC ZINC000500124132 515601172 /nfs/dbraw/zinc/60/11/72/515601172.db2.gz UTFVEKWHFGEIJZ-OLZOCXBDSA-N 1 0 365.430 2.557 20 5 FFBDRO C[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1N)[C@H](c1ccccc1)[NH+](C)C ZINC000505604926 515606396 /nfs/dbraw/zinc/60/63/96/515606396.db2.gz GOJNJDBVDWWGMY-APPDUMDISA-N 1 0 360.389 2.737 20 5 FFBDRO Cc1cc(C)c(S(=O)(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)cc1[N+](=O)[O-] ZINC000493341247 515623395 /nfs/dbraw/zinc/62/33/95/515623395.db2.gz YMXHYWZVWQMXOL-CQSZACIVSA-N 1 0 367.471 2.507 20 5 FFBDRO CC(C)(C)C1=CC[N@H+](CCNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000505862652 515702438 /nfs/dbraw/zinc/70/24/38/515702438.db2.gz NCGKPQCJXMYJOF-UHFFFAOYSA-N 1 0 364.421 2.724 20 5 FFBDRO CC[NH+](CC)[C@@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)c1ccccc1Cl ZINC000505985899 515742212 /nfs/dbraw/zinc/74/22/12/515742212.db2.gz DHCCXHPABRCETA-AWEZNQCLSA-N 1 0 365.821 2.784 20 5 FFBDRO CC[C@@H](CO)[NH+]1CCN(c2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)CC1 ZINC000487112631 515763191 /nfs/dbraw/zinc/76/31/91/515763191.db2.gz VSSIHOSTYZIJRM-AWEZNQCLSA-N 1 0 351.447 2.665 20 5 FFBDRO CCN(CCC[NH+]1CCCC1)S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000473945954 515813849 /nfs/dbraw/zinc/81/38/49/515813849.db2.gz FYIKZJWUZUGXCU-UHFFFAOYSA-N 1 0 369.487 2.708 20 5 FFBDRO Cc1cc(C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000457359151 515826485 /nfs/dbraw/zinc/82/64/85/515826485.db2.gz CERKLYDFGGGGDG-DLBZAZTESA-N 1 0 357.385 2.999 20 5 FFBDRO COc1cccc(C(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000457360948 515827656 /nfs/dbraw/zinc/82/76/56/515827656.db2.gz FVDBBEZVTJNWKR-ZBFHGGJFSA-N 1 0 373.384 2.700 20 5 FFBDRO CCc1ccc(C(=O)N[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000478457100 515829855 /nfs/dbraw/zinc/82/98/55/515829855.db2.gz IQWXTQIZCYNAHW-ZWKOTPCHSA-N 1 0 353.422 2.985 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+]C/C=C\c2ccccc2)cc1[N+](=O)[O-] ZINC000473991260 515834604 /nfs/dbraw/zinc/83/46/04/515834604.db2.gz YKYOVIHTMYBUEG-YVMONPNESA-N 1 0 356.378 2.950 20 5 FFBDRO CCCN(CC[NH+]1CCCC1)S(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000511237983 515837364 /nfs/dbraw/zinc/83/73/64/515837364.db2.gz BUSNLDHJYBTGAB-UHFFFAOYSA-N 1 0 369.487 2.708 20 5 FFBDRO C[N@@H+]1C[C@@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000478533689 515861195 /nfs/dbraw/zinc/86/11/95/515861195.db2.gz GKIMNYZCISDFSD-SJLPKXTDSA-N 1 0 368.437 2.611 20 5 FFBDRO CCOc1ccc([C@@H](C)[NH2+]CCN2CCO[C@H](CC)C2)cc1[N+](=O)[O-] ZINC000494511710 515866475 /nfs/dbraw/zinc/86/64/75/515866475.db2.gz HMPFRBGQIJAAIA-GDBMZVCRSA-N 1 0 351.447 2.755 20 5 FFBDRO COCC[NH+]1CCC(NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000494528739 515872708 /nfs/dbraw/zinc/87/27/08/515872708.db2.gz SWGBQJHXPUDVBA-UHFFFAOYSA-N 1 0 361.364 2.814 20 5 FFBDRO O=[N+]([O-])c1cc(F)ccc1NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000511415077 515896551 /nfs/dbraw/zinc/89/65/51/515896551.db2.gz ZRWUDURUTSQQPP-UHFFFAOYSA-N 1 0 374.420 2.538 20 5 FFBDRO C[C@H]1CCC[C@](CNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)([NH+](C)C)C1 ZINC000487772484 515970867 /nfs/dbraw/zinc/97/08/67/515970867.db2.gz UQSRYBUUGOKOOP-SGTLLEGYSA-N 1 0 363.414 2.564 20 5 FFBDRO C[C@@H]1C[C@H](NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000501087495 515973475 /nfs/dbraw/zinc/97/34/75/515973475.db2.gz UQWQGTDFMDRWST-MWLCHTKSSA-N 1 0 371.235 2.962 20 5 FFBDRO C[C@H](CNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[N@H+](C)C1CC1 ZINC000494877566 515994220 /nfs/dbraw/zinc/99/42/20/515994220.db2.gz IFRCMLQRDKFDHS-SNVBAGLBSA-N 1 0 374.363 2.896 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N3CC[C@H]4[NH2+]CC[C@@H]4C3)cc2[N+](=O)[O-])C1 ZINC000494881046 515997062 /nfs/dbraw/zinc/99/70/62/515997062.db2.gz UTJODGAALXKHOQ-DJIMGWMZSA-N 1 0 372.469 2.655 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+][C@@H](C)Cc2cccs2)cc1[N+](=O)[O-] ZINC000474349456 516005017 /nfs/dbraw/zinc/00/50/17/516005017.db2.gz KHNAWMVLMVVVOP-LBPRGKRZSA-N 1 0 364.423 2.929 20 5 FFBDRO CC1(C)C[N@H+](CCOc2ccccc2[N+](=O)[O-])C[C@@]2(CCCOC2)O1 ZINC000483358993 516049298 /nfs/dbraw/zinc/04/92/98/516049298.db2.gz RUFVTDIWRLKTDX-GOSISDBHSA-N 1 0 350.415 2.634 20 5 FFBDRO C[C@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@]2(CCCOC2)O1 ZINC000483368867 516052687 /nfs/dbraw/zinc/05/26/87/516052687.db2.gz CLGLUPQRQLKDRO-YJBOKZPZSA-N 1 0 350.415 2.634 20 5 FFBDRO C[C@@H]([NH2+]C(C)(C)CNc1ncc([N+](=O)[O-])cc1C(N)=O)c1ccccc1 ZINC000488038351 516088285 /nfs/dbraw/zinc/08/82/85/516088285.db2.gz AZIQUONLGOAYDB-GFCCVEGCSA-N 1 0 357.414 2.630 20 5 FFBDRO C[NH+](C)CCN(Cc1cccs1)c1nc2sccn2c1[N+](=O)[O-] ZINC000470037145 516088610 /nfs/dbraw/zinc/08/86/10/516088610.db2.gz XPUMBERDVIFSPM-UHFFFAOYSA-N 1 0 351.457 2.934 20 5 FFBDRO C[C@H]([NH2+]C(C)(C)CNc1ncc([N+](=O)[O-])cc1C(N)=O)c1ccccc1 ZINC000488038352 516089683 /nfs/dbraw/zinc/08/96/83/516089683.db2.gz AZIQUONLGOAYDB-LBPRGKRZSA-N 1 0 357.414 2.630 20 5 FFBDRO CCC1CCC([N@H+](CCO)C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000488160832 516139731 /nfs/dbraw/zinc/13/97/31/516139731.db2.gz UDICUQOYULUFRT-JCYILVPMSA-N 1 0 366.458 2.598 20 5 FFBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000507382300 516196356 /nfs/dbraw/zinc/19/63/56/516196356.db2.gz QBRICBYJXQOJSY-KRWDZBQOSA-N 1 0 362.474 2.949 20 5 FFBDRO Cc1ccc(S(=O)(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000507453794 516215076 /nfs/dbraw/zinc/21/50/76/516215076.db2.gz ZYXPZEFOPWSVAZ-GJZGRUSLSA-N 1 0 369.487 2.550 20 5 FFBDRO C[N@@H+]1CCCC[C@@H]1CCC(=O)Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000496074213 516233899 /nfs/dbraw/zinc/23/38/99/516233899.db2.gz UOMMIJLHDPJLAG-CYBMUJFWSA-N 1 0 358.402 2.583 20 5 FFBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000465735799 516242733 /nfs/dbraw/zinc/24/27/33/516242733.db2.gz BLSFRBFHUHRNJU-OWCLPIDISA-N 1 0 362.474 2.803 20 5 FFBDRO COc1ccc(OCC[N@@H+]2CCCCC[C@H]2C[C@H](C)O)c([N+](=O)[O-])c1 ZINC000512420956 516271796 /nfs/dbraw/zinc/27/17/96/516271796.db2.gz ORAWUNPIHFCYSA-GJZGRUSLSA-N 1 0 352.431 2.998 20 5 FFBDRO CCCN(CC[NH+](CC)CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000460929972 516285409 /nfs/dbraw/zinc/28/54/09/516285409.db2.gz XBRHIDUKFOVQQC-UHFFFAOYSA-N 1 0 357.476 2.646 20 5 FFBDRO COC(=O)CCC1CC[NH+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000531240776 516366859 /nfs/dbraw/zinc/36/68/59/516366859.db2.gz NAQQVVNAKTZHBP-UHFFFAOYSA-N 1 0 374.397 2.810 20 5 FFBDRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000557772934 516430963 /nfs/dbraw/zinc/43/09/63/516430963.db2.gz UOURHDSECRYAMP-UHFFFAOYSA-N 1 0 360.414 2.580 20 5 FFBDRO COc1cc(C[NH2+]CCc2c[nH]c3ncccc23)c([N+](=O)[O-])cc1OC ZINC000557843737 516465168 /nfs/dbraw/zinc/46/51/68/516465168.db2.gz FKEJHJQRCACHLF-UHFFFAOYSA-N 1 0 356.382 2.821 20 5 FFBDRO C[C@@H](O)C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000554544976 516500241 /nfs/dbraw/zinc/50/02/41/516500241.db2.gz XXHUPJMVKXXFRI-OAHLLOKOSA-N 1 0 357.410 2.806 20 5 FFBDRO COc1cc(C[NH2+][C@H](C)C[C@H](C)O)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000543949788 516511628 /nfs/dbraw/zinc/51/16/28/516511628.db2.gz XMWNZJHRURTWKK-ZJUUUORDSA-N 1 0 366.336 2.794 20 5 FFBDRO CCCN(C(=O)c1c[nH]nc1[N+](=O)[O-])[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000547758231 516545549 /nfs/dbraw/zinc/54/55/49/516545549.db2.gz XBXZSNMJEVYIIT-MRXNPFEDSA-N 1 0 371.441 2.835 20 5 FFBDRO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000540625405 516645885 /nfs/dbraw/zinc/64/58/85/516645885.db2.gz FDZXUHYMWHJCHS-ACJLOTCBSA-N 1 0 355.442 2.568 20 5 FFBDRO CCN(CC[NH+]1CCCCCC1)S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000561563336 516655295 /nfs/dbraw/zinc/65/52/95/516655295.db2.gz DUZZMMKIVARPRF-UHFFFAOYSA-N 1 0 369.487 2.790 20 5 FFBDRO Cc1c(Br)c(N(C)C[C@H]2CCC[N@H+](C)C2)ncc1[N+](=O)[O-] ZINC000554847937 516661827 /nfs/dbraw/zinc/66/18/27/516661827.db2.gz CGUDGVQAYBAVLQ-NSHDSACASA-N 1 0 357.252 2.839 20 5 FFBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000540744600 516693387 /nfs/dbraw/zinc/69/33/87/516693387.db2.gz NQELAKKGDWDMDV-WBVHZDCISA-N 1 0 364.490 2.646 20 5 FFBDRO CC1CCN(Cc2csc(NC(=O)c3ccc([N+](=O)[O-])cn3)n2)CC1 ZINC000531890680 516695157 /nfs/dbraw/zinc/69/51/57/516695157.db2.gz YQCQEBRZDHLXDC-UHFFFAOYSA-N 1 0 361.427 2.931 20 5 FFBDRO CCc1ccc([C@H](NC[C@H](O)C[NH+]2CCCC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000544361025 516723282 /nfs/dbraw/zinc/72/32/82/516723282.db2.gz PBWQYBWJJPXFTI-FXAWDEMLSA-N 1 0 373.453 2.886 20 5 FFBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@H](O)COc1ccccc1)C1CC1 ZINC000531942458 516726216 /nfs/dbraw/zinc/72/62/16/516726216.db2.gz FDPIMXLVYZTGFF-HKUYNNGSSA-N 1 0 356.422 2.945 20 5 FFBDRO C[N@H+](CCC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)C1CCCCC1 ZINC000548064506 516735803 /nfs/dbraw/zinc/73/58/03/516735803.db2.gz QVQBTEADGQOPOL-UHFFFAOYSA-N 1 0 363.462 2.609 20 5 FFBDRO C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000548067187 516738363 /nfs/dbraw/zinc/73/83/63/516738363.db2.gz UGEIKORKZDFMCJ-CQSZACIVSA-N 1 0 367.405 2.802 20 5 FFBDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C[C@@H](C)C1 ZINC000561749736 516746808 /nfs/dbraw/zinc/74/68/08/516746808.db2.gz ZARHAHARDYIDOX-DEYYWGMASA-N 1 0 368.437 2.945 20 5 FFBDRO C[C@H]1CC[N@H+](CCNC(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC000524721344 516802267 /nfs/dbraw/zinc/80/22/67/516802267.db2.gz QPSOOTMGPGGGCO-CVEARBPZSA-N 1 0 374.485 2.903 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000541035869 516840446 /nfs/dbraw/zinc/84/04/46/516840446.db2.gz GOKPNXKBKJJDBF-DGCLKSJQSA-N 1 0 371.384 2.999 20 5 FFBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@H](c2cncc(Br)c2)C2CC2)n1 ZINC000551721023 516840432 /nfs/dbraw/zinc/84/04/32/516840432.db2.gz YSTFWNQSFRDMIX-AWEZNQCLSA-N 1 0 366.219 2.690 20 5 FFBDRO Cn1c(C(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)ccc1[N+](=O)[O-] ZINC000525040929 516900421 /nfs/dbraw/zinc/90/04/21/516900421.db2.gz VIQGSLLLMHTHOU-MLGOLLRUSA-N 1 0 362.455 2.808 20 5 FFBDRO CNC(=O)CCOC1CCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000541188447 516919182 /nfs/dbraw/zinc/91/91/82/516919182.db2.gz ARMRIHGHXISLLQ-UHFFFAOYSA-N 1 0 372.425 2.573 20 5 FFBDRO C[C@H](CCNS(=O)(=O)c1ccccc1)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000558791338 516945679 /nfs/dbraw/zinc/94/56/79/516945679.db2.gz RSBIHKWVSZNLLE-GFCCVEGCSA-N 1 0 369.468 2.503 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000541314435 516982571 /nfs/dbraw/zinc/98/25/71/516982571.db2.gz FNWUOFVLXCSKGH-KBPBESRZSA-N 1 0 364.446 2.666 20 5 FFBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000525385638 517024214 /nfs/dbraw/zinc/02/42/14/517024214.db2.gz FCQCQYPGIBKAQG-UKRRQHHQSA-N 1 0 369.487 2.651 20 5 FFBDRO O=[N+]([O-])c1cc2ccccc2nc1N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000514738515 517032579 /nfs/dbraw/zinc/03/25/79/517032579.db2.gz HAAZQLMOZNKFDL-MRXNPFEDSA-N 1 0 356.426 2.834 20 5 FFBDRO COc1cccc(C(=O)Nc2ccc3[nH]c(N(C)C)nc3c2)c1[N+](=O)[O-] ZINC000559050063 517057095 /nfs/dbraw/zinc/05/70/95/517057095.db2.gz JFNWVQNLHABVOO-UHFFFAOYSA-N 1 0 355.354 2.798 20 5 FFBDRO Cn1ccnc1[C@@H](NCC1(C)CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000552067648 517061132 /nfs/dbraw/zinc/06/11/32/517061132.db2.gz SLAUTNPTKPGFEJ-KRWDZBQOSA-N 1 0 357.458 2.739 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000525544409 517071706 /nfs/dbraw/zinc/07/17/06/517071706.db2.gz BZUZIZVFVOFGNC-SGMGOOAPSA-N 1 0 369.849 2.957 20 5 FFBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)C2(S(C)(=O)=O)CC2)cc1[N+](=O)[O-] ZINC000552097191 517076931 /nfs/dbraw/zinc/07/69/31/517076931.db2.gz VXKXZXFJVBJUSY-RYUDHWBXSA-N 1 0 356.444 2.610 20 5 FFBDRO COC[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C(C)C ZINC000541592896 517127069 /nfs/dbraw/zinc/12/70/69/517127069.db2.gz HQDBIVUWVDKFMS-ZDUSSCGKSA-N 1 0 374.235 2.556 20 5 FFBDRO Cn1ccnc1[C@H](NCC1CC[NH+](C2CC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000552262317 517168231 /nfs/dbraw/zinc/16/82/31/517168231.db2.gz QCBCYCSKNZYTOM-LJQANCHMSA-N 1 0 369.469 2.882 20 5 FFBDRO Cc1cccc2c1OC[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000519763568 517170835 /nfs/dbraw/zinc/17/08/35/517170835.db2.gz GJBBWCLZPUZPLV-OAHLLOKOSA-N 1 0 355.394 2.825 20 5 FFBDRO C[C@H](C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])N1CCc2ccccc21 ZINC000548761191 517196013 /nfs/dbraw/zinc/19/60/13/517196013.db2.gz QBZMMAQYPGXPAV-OAHLLOKOSA-N 1 0 368.437 2.964 20 5 FFBDRO CCC[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1CCOC ZINC000541785065 517214673 /nfs/dbraw/zinc/21/46/73/517214673.db2.gz FAKTVGCWEAIOKS-AWEZNQCLSA-N 1 0 368.409 2.699 20 5 FFBDRO CCC[NH+]1CCC(CNS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)CC1 ZINC000541823597 517234047 /nfs/dbraw/zinc/23/40/47/517234047.db2.gz ZVBRAMRTLDWETP-UHFFFAOYSA-N 1 0 369.487 2.612 20 5 FFBDRO C[NH+](C)CC1(CNC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)CCCC1 ZINC000545448493 517244020 /nfs/dbraw/zinc/24/40/20/517244020.db2.gz WTFMPXLYSGKUQY-UHFFFAOYSA-N 1 0 360.458 2.785 20 5 FFBDRO O=[N+]([O-])c1cnc(NCCCC[NH+]2CCC(Cc3ccccc3)CC2)nc1 ZINC000545474762 517258111 /nfs/dbraw/zinc/25/81/11/517258111.db2.gz JTFYTKRPOCFMKM-UHFFFAOYSA-N 1 0 369.469 2.954 20 5 FFBDRO CNc1ccc(C(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000520060984 517266241 /nfs/dbraw/zinc/26/62/41/517266241.db2.gz OFSMMJHZPCVPQI-GOSISDBHSA-N 1 0 356.426 2.978 20 5 FFBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000520058906 517267607 /nfs/dbraw/zinc/26/76/07/517267607.db2.gz NBHGCPFDAMNIAN-INIZCTEOSA-N 1 0 356.426 2.718 20 5 FFBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000548979762 517336861 /nfs/dbraw/zinc/33/68/61/517336861.db2.gz ZHCIBCYBDLGGHL-SFHVURJKSA-N 1 0 370.453 2.964 20 5 FFBDRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000556260661 517341761 /nfs/dbraw/zinc/34/17/61/517341761.db2.gz GEIDBUATLUSTEG-NSHDSACASA-N 1 0 366.215 2.697 20 5 FFBDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000537825508 517363259 /nfs/dbraw/zinc/36/32/59/517363259.db2.gz USPXUNHUTAEPOP-NWDGAFQWSA-N 1 0 355.822 2.568 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CCc1ccc2ccccc2n1 ZINC000515467068 517365253 /nfs/dbraw/zinc/36/52/53/517365253.db2.gz LSUOCPSDJVQMDK-QGZVFWFLSA-N 1 0 367.405 2.715 20 5 FFBDRO C[C@H]1C[NH+](Cc2ccccc2CNc2c([N+](=O)[O-])ncn2C)C[C@H](C)O1 ZINC000515551774 517404225 /nfs/dbraw/zinc/40/42/25/517404225.db2.gz RLKLMHDATXSVMD-KBPBESRZSA-N 1 0 359.430 2.550 20 5 FFBDRO CC(C)(C)OC(=O)CCCC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000542212172 517440223 /nfs/dbraw/zinc/44/02/23/517440223.db2.gz GKJLNGVCFHXNCF-UHFFFAOYSA-N 1 0 364.446 2.624 20 5 FFBDRO CCN(C(=O)c1c[nH]nc1[N+](=O)[O-])[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000549217823 517462082 /nfs/dbraw/zinc/46/20/82/517462082.db2.gz AAYSCILHEKFKBO-HIFRSBDPSA-N 1 0 357.414 2.616 20 5 FFBDRO COc1ccc([C@H](CCO)[NH2+]CC(=O)Nc2c(C)cccc2[N+](=O)[O-])cc1 ZINC000538128697 517474271 /nfs/dbraw/zinc/47/42/71/517474271.db2.gz GFIMAOQEKUHZAY-INIZCTEOSA-N 1 0 373.409 2.564 20 5 FFBDRO Cc1nc(NCCc2ccc(OCC[NH+]3CCCC3)cc2)ccc1[N+](=O)[O-] ZINC000538132492 517476225 /nfs/dbraw/zinc/47/62/25/517476225.db2.gz NSQQIHLJDVBMJX-UHFFFAOYSA-N 1 0 370.453 2.849 20 5 FFBDRO COc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc3c(c2)OCO3)c([N+](=O)[O-])c1 ZINC000538168747 517492447 /nfs/dbraw/zinc/49/24/47/517492447.db2.gz PEBBDXIUIUXWKP-NSHDSACASA-N 1 0 373.365 2.621 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000542323408 517504128 /nfs/dbraw/zinc/50/41/28/517504128.db2.gz VFEKVBTVDCHGCI-HNNXBMFYSA-N 1 0 369.487 2.754 20 5 FFBDRO CCCC[C@H](C)[C@H](C)[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000515909231 517508474 /nfs/dbraw/zinc/50/84/74/517508474.db2.gz LEFDGXAKFBDHTJ-KBPBESRZSA-N 1 0 357.476 2.678 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](c1cnn(C)c1)C(C)(C)C ZINC000538275363 517535714 /nfs/dbraw/zinc/53/57/14/517535714.db2.gz FJXGTNRROQJRRZ-KRWDZBQOSA-N 1 0 359.430 2.952 20 5 FFBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)COc2ccc3c(c2)OCO3)cc1[N+](=O)[O-] ZINC000538277653 517536679 /nfs/dbraw/zinc/53/66/79/517536679.db2.gz WSRRWRFYNKVHRX-DZGCQCFKSA-N 1 0 374.393 2.722 20 5 FFBDRO CCC[N@@H+]1CC[C@@H](CNc2ncc([N+](=O)[O-])c(C)c2Br)C1 ZINC000542520332 517607178 /nfs/dbraw/zinc/60/71/78/517607178.db2.gz BZWNONOKJMXMAO-NSHDSACASA-N 1 0 357.252 2.626 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H](C)[C@@H]1COc2ccccc21 ZINC000542626208 517658127 /nfs/dbraw/zinc/65/81/27/517658127.db2.gz LDCGCEGGHAMQJW-ZFWWWQNUSA-N 1 0 355.394 2.996 20 5 FFBDRO C[NH+](C)C1(CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CCCCC1 ZINC000533923222 517670924 /nfs/dbraw/zinc/67/09/24/517670924.db2.gz GAJFXOCPZMTSLV-UHFFFAOYSA-N 1 0 358.442 2.999 20 5 FFBDRO COC(=O)c1cc(C)nc(NCCCCC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000553389615 517684706 /nfs/dbraw/zinc/68/47/06/517684706.db2.gz FLXYQQBSTVYOMV-UHFFFAOYSA-N 1 0 364.446 2.575 20 5 FFBDRO CC(C)Oc1ccc(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000549800552 517714602 /nfs/dbraw/zinc/71/46/02/517714602.db2.gz RBLZDCLXCHNNGT-KRWDZBQOSA-N 1 0 360.410 2.912 20 5 FFBDRO C[C@H]1CCCC[N@@H+]1CCN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000556874434 517720141 /nfs/dbraw/zinc/72/01/41/517720141.db2.gz JUNQNMJRQSMPFS-YJBOKZPZSA-N 1 0 357.458 2.882 20 5 FFBDRO CCCN(CC[NH+]1CCCCC1)C(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000553486810 517740768 /nfs/dbraw/zinc/74/07/68/517740768.db2.gz YKZLWJHOWKPHNI-UHFFFAOYSA-N 1 0 365.478 2.523 20 5 FFBDRO CC[NH+]1CCN(c2ccc(CNc3nc(C)cc(C)c3[N+](=O)[O-])cn2)CC1 ZINC000542863756 517786817 /nfs/dbraw/zinc/78/68/17/517786817.db2.gz GGZHOUOPMINSRB-UHFFFAOYSA-N 1 0 370.457 2.756 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@](C)([NH3+])Cc2ccc(OC)cc2)c1 ZINC000542970636 517845987 /nfs/dbraw/zinc/84/59/87/517845987.db2.gz POEIDKYDOQJUPC-LJQANCHMSA-N 1 0 373.409 2.762 20 5 FFBDRO COc1cc(CN2CC[N@H+](C)[C@@H](C)[C@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000538953271 517861587 /nfs/dbraw/zinc/86/15/87/517861587.db2.gz LLPOWUZHYXZLGN-WDEREUQCSA-N 1 0 359.373 2.729 20 5 FFBDRO Cc1ccc(C(C)(C)[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000546808565 517867028 /nfs/dbraw/zinc/86/70/28/517867028.db2.gz CZGYPXGTFNLCFM-UHFFFAOYSA-N 1 0 363.439 2.597 20 5 FFBDRO O=C(C1CC[NH+]([C@@H]2CCSC2)CC1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000516875565 517886842 /nfs/dbraw/zinc/88/68/42/517886842.db2.gz CHYQMKOEXFCRBF-CQSZACIVSA-N 1 0 361.467 2.701 20 5 FFBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000553785599 517903324 /nfs/dbraw/zinc/90/33/24/517903324.db2.gz GXIBDXRTQQWTOC-SUNYJGFJSA-N 1 0 372.469 2.971 20 5 FFBDRO COc1cccc(NC(=O)CC[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000534511644 517920003 /nfs/dbraw/zinc/92/00/03/517920003.db2.gz HIGAWFODRLMLJW-UHFFFAOYSA-N 1 0 355.394 2.990 20 5 FFBDRO CCN(CC[NH+]1CCCCCC1)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000553924841 517973646 /nfs/dbraw/zinc/97/36/46/517973646.db2.gz WVMIZDHWSBAXIB-UHFFFAOYSA-N 1 0 374.485 2.682 20 5 FFBDRO CC[NH+](CC)CC1CCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC1 ZINC000557511478 518048055 /nfs/dbraw/zinc/04/80/55/518048055.db2.gz XKLIDLSPRDQQHW-UHFFFAOYSA-N 1 0 359.430 2.802 20 5 FFBDRO O=C(CC[NH+]1CCC(Nc2ccccn2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000534862888 518063319 /nfs/dbraw/zinc/06/33/19/518063319.db2.gz QKFYDFGEZLKQRK-UHFFFAOYSA-N 1 0 369.425 2.895 20 5 FFBDRO CCC[N@H+](C)[C@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)c1ccc(Cl)cc1 ZINC000560968029 518101467 /nfs/dbraw/zinc/10/14/67/518101467.db2.gz ADBTUKDNICDSRF-CQSZACIVSA-N 1 0 365.821 2.784 20 5 FFBDRO C[NH+](C)[C@H](CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)Cc1ccccc1 ZINC000534983389 518106551 /nfs/dbraw/zinc/10/65/51/518106551.db2.gz QRIHOFIIPUSWIT-HNNXBMFYSA-N 1 0 366.421 2.979 20 5 FFBDRO COc1ccc(C[NH2+][C@H]2CC(=O)N(Cc3ccccc3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000547372367 518109289 /nfs/dbraw/zinc/10/92/89/518109289.db2.gz CZLSJSRJLMUMTC-PBHICJAKSA-N 1 0 369.421 2.883 20 5 FFBDRO [NH3+]CCN(Cc1cnn(-c2ccc(F)cc2)c1)c1ccccc1[N+](=O)[O-] ZINC000517438986 518148786 /nfs/dbraw/zinc/14/87/86/518148786.db2.gz OMBNZKBJYWBMDP-UHFFFAOYSA-N 1 0 355.373 2.885 20 5 FFBDRO C[C@H]1CCC[C@H](C)N1CCNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000539860644 518172756 /nfs/dbraw/zinc/17/27/56/518172756.db2.gz OQHOEYUPUFTOHL-QWRGUYRKSA-N 1 0 361.489 2.735 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CCc1cccc2[nH]ccc21 ZINC000581305975 518221642 /nfs/dbraw/zinc/22/16/42/518221642.db2.gz HIKQBNXQXVGCQC-HNNXBMFYSA-N 1 0 355.394 2.648 20 5 FFBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000578464606 518221626 /nfs/dbraw/zinc/22/16/26/518221626.db2.gz ALMOFSSAGSFFAG-LSDHHAIUSA-N 1 0 373.457 2.791 20 5 FFBDRO Cc1cccc(O[C@H](C)C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000569687584 518241139 /nfs/dbraw/zinc/24/11/39/518241139.db2.gz XYDGLHTXEFVQTM-HZPDHXFCSA-N 1 0 360.410 2.700 20 5 FFBDRO CO[C@H](C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000569803792 518301175 /nfs/dbraw/zinc/30/11/75/518301175.db2.gz DEXXRDXFGOPMCP-INIZCTEOSA-N 1 0 357.410 2.771 20 5 FFBDRO Cc1cc(NC[C@H]2CCC3(CCOCC3)[C@@H]2O)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000575884595 518329526 /nfs/dbraw/zinc/32/95/26/518329526.db2.gz LUTFQMPMCDAJAE-AUUYWEPGSA-N 1 0 371.437 2.853 20 5 FFBDRO C[N@@H+]1CCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC12CCCCC2 ZINC000584538669 518389286 /nfs/dbraw/zinc/38/92/86/518389286.db2.gz XJCUOWROEDXMIN-SFHVURJKSA-N 1 0 372.469 2.650 20 5 FFBDRO CCCC[N@H+](C)C[C@@H](C)Nc1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000570014869 518399051 /nfs/dbraw/zinc/39/90/51/518399051.db2.gz MDCZMRYOZOWBSC-MRXNPFEDSA-N 1 0 364.490 2.959 20 5 FFBDRO Cn1ccnc1[C@@H]([NH2+]C[C@H]1CCC[C@@H](CO)C1)c1ccc([N+](=O)[O-])cc1 ZINC000572947385 518432893 /nfs/dbraw/zinc/43/28/93/518432893.db2.gz APPVURTUHZGGOQ-DAYGRLMNSA-N 1 0 358.442 2.806 20 5 FFBDRO CCOCCC[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000564417218 518440821 /nfs/dbraw/zinc/44/08/21/518440821.db2.gz QTYKLCSYIXYTOA-UHFFFAOYSA-N 1 0 364.183 2.716 20 5 FFBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000576148143 518451836 /nfs/dbraw/zinc/45/18/36/518451836.db2.gz IXCSBQGLXKRXRQ-INIZCTEOSA-N 1 0 369.874 2.942 20 5 FFBDRO CC(=O)c1ccc(OC[C@@H](O)C[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000576221134 518487930 /nfs/dbraw/zinc/48/79/30/518487930.db2.gz XPBLCZQLPDUCAK-KRWDZBQOSA-N 1 0 358.394 2.635 20 5 FFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000581894485 518490469 /nfs/dbraw/zinc/49/04/69/518490469.db2.gz VBEIHIKPVRPOFO-WBMJQRKESA-N 1 0 358.419 2.743 20 5 FFBDRO CN(C)c1cc(Cl)cc(Cl)c1C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000570204951 518494926 /nfs/dbraw/zinc/49/49/26/518494926.db2.gz MDPLXZRSCJVIIA-UHFFFAOYSA-N 1 0 358.229 2.954 20 5 FFBDRO Cc1ccccc1O[C@H](C)C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000576272463 518511994 /nfs/dbraw/zinc/51/19/94/518511994.db2.gz YWFVUDXSSRSZSJ-WBVHZDCISA-N 1 0 360.410 2.700 20 5 FFBDRO CN(C(=O)CN1CC[N@H+](C)C2(CCCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000582070408 518576192 /nfs/dbraw/zinc/57/61/92/518576192.db2.gz IUPOMLCMZRDCCV-UHFFFAOYSA-N 1 0 360.458 2.508 20 5 FFBDRO O=C(CCN1CC[NH2+]C[C@H]1c1cccc(F)c1)Nc1ccc([N+](=O)[O-])cc1 ZINC000564729673 518585910 /nfs/dbraw/zinc/58/59/10/518585910.db2.gz RQRNPWXDRWIDFR-SFHVURJKSA-N 1 0 372.400 2.709 20 5 FFBDRO C[C@@H](NC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1)[C@H](C)[NH3+] ZINC000564727785 518585974 /nfs/dbraw/zinc/58/59/74/518585974.db2.gz UVQLHBLCHOCJDK-XQQFMLRXSA-N 1 0 357.414 2.628 20 5 FFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCc2ccc3c[nH]nc3c2)n1 ZINC000585765421 518589689 /nfs/dbraw/zinc/58/96/89/518589689.db2.gz BRHHNNBAWBSKIS-WBVHZDCISA-N 1 0 354.414 2.984 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])c(NC[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)n1 ZINC000585789503 518599234 /nfs/dbraw/zinc/59/92/34/518599234.db2.gz BZTDPWBDRJQZJS-WMLDXEAASA-N 1 0 358.446 2.835 20 5 FFBDRO CC(C)C[C@@H](CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000582137957 518605784 /nfs/dbraw/zinc/60/57/84/518605784.db2.gz NDABLOJDKGMBLD-ZWKOTPCHSA-N 1 0 359.474 2.984 20 5 FFBDRO Cc1c(Cl)cc(S(=O)(=O)N[C@@H](C)C[N@@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000573367455 518632159 /nfs/dbraw/zinc/63/21/59/518632159.db2.gz AIDPMGGDDJGDAL-JTQLQIEISA-N 1 0 363.867 2.564 20 5 FFBDRO CCOc1cc(C)ccc1C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000567683495 518652839 /nfs/dbraw/zinc/65/28/39/518652839.db2.gz OXODDEJWBPYCQZ-INIZCTEOSA-N 1 0 360.410 2.831 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CCc2cc(F)c(F)c(F)c2)c1 ZINC000564870974 518666144 /nfs/dbraw/zinc/66/61/44/518666144.db2.gz BIAPFOSYAYHZPD-ZDUSSCGKSA-N 1 0 370.327 2.584 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C2CCC(c3ccc(F)cc3)CC2)c1 ZINC000573480152 518686080 /nfs/dbraw/zinc/68/60/80/518686080.db2.gz GUNDWGWIFLXXEC-JFUPDXTOSA-N 1 0 362.405 2.607 20 5 FFBDRO O=C(NCC[C@H]1CC[NH2+]C1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000576702468 518721734 /nfs/dbraw/zinc/72/17/34/518721734.db2.gz XQKXKPXQPSRKJB-LLVKDONJSA-N 1 0 371.387 2.689 20 5 FFBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NCC3([NH3+])CCC3)cc2[N+](=O)[O-])C1 ZINC000567815335 518727658 /nfs/dbraw/zinc/72/76/58/518727658.db2.gz RYSXPFGFUWXAJM-ZIAGYGMSSA-N 1 0 360.458 2.688 20 5 FFBDRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000570706293 518740605 /nfs/dbraw/zinc/74/06/05/518740605.db2.gz FUWQBTZIUCGWGE-HUUCEWRRSA-N 1 0 350.438 2.729 20 5 FFBDRO CC[NH+]1C[C@@H](C)N(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000573722009 518804379 /nfs/dbraw/zinc/80/43/79/518804379.db2.gz REIKPQCAJDCGRG-HUUCEWRRSA-N 1 0 360.458 2.750 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C[C@@H]1CCC2(CCCCC2)O1 ZINC000570837553 518804500 /nfs/dbraw/zinc/80/45/00/518804500.db2.gz YUDXUMUVQOEWJL-HOTGVXAUSA-N 1 0 364.442 2.806 20 5 FFBDRO C[C@@H]1[C@@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000588771270 518825596 /nfs/dbraw/zinc/82/55/96/518825596.db2.gz QSRVJIABOBWDMP-BEFAXECRSA-N 1 0 353.422 2.917 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000588771278 518825917 /nfs/dbraw/zinc/82/59/17/518825917.db2.gz QVYRHTPJOAYVRA-KDOFPFPSSA-N 1 0 369.421 2.996 20 5 FFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@H](O)COc1ccc(F)c(F)c1 ZINC000565219529 518849350 /nfs/dbraw/zinc/84/93/50/518849350.db2.gz YEEDBQMZKFESBH-GTNSWQLSSA-N 1 0 364.348 2.890 20 5 FFBDRO Cn1nc(C2CC2)nc1CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000582662896 518863239 /nfs/dbraw/zinc/86/32/39/518863239.db2.gz NDZOITVAIXOBDA-UHFFFAOYSA-N 1 0 357.414 2.644 20 5 FFBDRO C[C@H](O)C[C@H]1CCCC[N@@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000573889415 518883054 /nfs/dbraw/zinc/88/30/54/518883054.db2.gz NKFMSPYWPOVYMF-UONOGXRCSA-N 1 0 363.414 2.518 20 5 FFBDRO C[C@@H]([NH3+])c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)cc1 ZINC000577054619 518892665 /nfs/dbraw/zinc/89/26/65/518892665.db2.gz DPWGPNMJVYFRSB-CYBMUJFWSA-N 1 0 370.409 2.703 20 5 FFBDRO COc1cc2c(cc1C[NH+]1CCC(n3ccc([N+](=O)[O-])n3)CC1)O[C@@H](C)C2 ZINC000579907958 518910235 /nfs/dbraw/zinc/91/02/35/518910235.db2.gz FNWQYONLIBITFY-ZDUSSCGKSA-N 1 0 372.425 2.960 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000565389715 518928501 /nfs/dbraw/zinc/92/85/01/518928501.db2.gz ALIWVOPKTJMAON-PXNSSMCTSA-N 1 0 368.437 2.877 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1CN(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000589196061 518947583 /nfs/dbraw/zinc/94/75/83/518947583.db2.gz BOTPLZCQEFIYRV-KRWDZBQOSA-N 1 0 351.447 2.536 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H](c1ccccc1)[C@H]1CCCO1 ZINC000582840729 518947961 /nfs/dbraw/zinc/94/79/61/518947961.db2.gz IXXBSVNZDHXMMF-AHRSYUTCSA-N 1 0 372.421 2.844 20 5 FFBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]Cc2cccnc2)c1 ZINC000589309569 518978478 /nfs/dbraw/zinc/97/84/78/518978478.db2.gz VIUFHURAPNUBQJ-UHFFFAOYSA-N 1 0 369.162 2.884 20 5 FFBDRO Cc1ccc(NC(=O)NCc2ccncc2OCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000568322401 518979308 /nfs/dbraw/zinc/97/93/08/518979308.db2.gz VPCCRUKUYRJALQ-UHFFFAOYSA-N 1 0 373.413 2.560 20 5 FFBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]C[C@@]1(CO)C[C@H]1c1ccccc1)OCCO2 ZINC000589325087 518981211 /nfs/dbraw/zinc/98/12/11/518981211.db2.gz LDTMJKQUXJJEQW-OXJNMPFZSA-N 1 0 370.405 2.622 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCc3ccc(OC)cc3CC2)c1 ZINC000589513657 519022419 /nfs/dbraw/zinc/02/24/19/519022419.db2.gz NLWWKPRNBLCYSR-UHFFFAOYSA-N 1 0 370.405 2.991 20 5 FFBDRO CSc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])cn2)[NH+](C)C)cc1 ZINC000580239179 519074917 /nfs/dbraw/zinc/07/49/17/519074917.db2.gz ACBBJYVVDNSWHG-INIZCTEOSA-N 1 0 360.439 2.744 20 5 FFBDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000580388023 519146020 /nfs/dbraw/zinc/14/60/20/519146020.db2.gz HPYMLLLTTYMQHG-QAPCUYQASA-N 1 0 363.458 2.658 20 5 FFBDRO CCOc1cc(C[NH2+][C@@H]2CCCC[C@H]2N2CCOCC2)ccc1[N+](=O)[O-] ZINC000574512857 519189875 /nfs/dbraw/zinc/18/98/75/519189875.db2.gz NYAVZEGJECASQI-IAGOWNOFSA-N 1 0 363.458 2.727 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N3CC[C@@H]4C[N@H+](C)C[C@@H]43)cc2[N+](=O)[O-])C1 ZINC000590447604 519236031 /nfs/dbraw/zinc/23/60/31/519236031.db2.gz ZLQTZWLYMKXIPQ-OGWOLHLISA-N 1 0 372.469 2.607 20 5 FFBDRO C[C@H]1CN(c2cc(N)c([N+](=O)[O-])c(CO)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000590723432 519333625 /nfs/dbraw/zinc/33/36/25/519333625.db2.gz ZSXFHDXZUGPIGU-OAHLLOKOSA-N 1 0 370.453 2.628 20 5 FFBDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000590753126 519350799 /nfs/dbraw/zinc/35/07/99/519350799.db2.gz GUBUNDCRMIEGSP-MNOVXSKESA-N 1 0 374.340 2.636 20 5 FFBDRO Cc1c(CNC(=O)N2CCc3ccccc3[C@@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000566191637 519362307 /nfs/dbraw/zinc/36/23/07/519362307.db2.gz QZZLETVIEBSJJT-SFHVURJKSA-N 1 0 354.410 2.671 20 5 FFBDRO Cc1cccnc1C(C)(C)C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000569096940 519376255 /nfs/dbraw/zinc/37/62/55/519376255.db2.gz WEBBRJMEGRUWSW-INIZCTEOSA-N 1 0 359.426 2.605 20 5 FFBDRO O=C(CC[N@@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1)Nc1ccc([N+](=O)[O-])cc1 ZINC000583722168 519397474 /nfs/dbraw/zinc/39/74/74/519397474.db2.gz KUVKKBOEOORSRA-AEFFLSMTSA-N 1 0 359.426 2.957 20 5 FFBDRO CCc1ccc(S(=O)(=O)NC(C)(C)CCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000574913885 519401886 /nfs/dbraw/zinc/40/18/86/519401886.db2.gz OVRZJLVVXZXVDC-UHFFFAOYSA-N 1 0 357.476 2.556 20 5 FFBDRO Cc1ccc(NCCCNC(=O)N[C@@H](C)C[N@@H+](C)C(C)C)c([N+](=O)[O-])c1 ZINC000569165978 519409553 /nfs/dbraw/zinc/40/95/53/519409553.db2.gz ZCDIFCFKDBSPBY-HNNXBMFYSA-N 1 0 365.478 2.733 20 5 FFBDRO C[NH+](C)CCN(Cc1ccsc1)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000590920105 519433210 /nfs/dbraw/zinc/43/32/10/519433210.db2.gz BNKRZCBCSHHFDW-UHFFFAOYSA-N 1 0 362.455 2.930 20 5 FFBDRO Cn1cc(CN2CCO[C@@]3(CCSC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000578132955 519435696 /nfs/dbraw/zinc/43/56/96/519435696.db2.gz LHNNPIWMLZGQKK-SFHVURJKSA-N 1 0 374.466 2.703 20 5 FFBDRO O=C1c2ccccc2C(=O)N1CCC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000580962547 519452377 /nfs/dbraw/zinc/45/23/77/519452377.db2.gz GWVJUFRXLQCMJU-KRWDZBQOSA-N 1 0 365.389 2.858 20 5 FFBDRO CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C12CCCC2 ZINC000580979616 519458167 /nfs/dbraw/zinc/45/81/67/519458167.db2.gz GMMMWLDXGIUPFA-KBAYOESNSA-N 1 0 364.442 2.662 20 5 FFBDRO Cc1ccc(C)c(S(=O)(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)c1[N+](=O)[O-] ZINC000575029925 519459305 /nfs/dbraw/zinc/45/93/05/519459305.db2.gz WNNMGHKZRNKXKP-LSDHHAIUSA-N 1 0 367.471 2.507 20 5 FFBDRO CCc1cccc(OC[C@H](O)C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1 ZINC000572149409 519467897 /nfs/dbraw/zinc/46/78/97/519467897.db2.gz CTRGEBPGESNOSP-OAHLLOKOSA-N 1 0 370.409 2.563 20 5 FFBDRO CC(C)Oc1cc(C(=O)N2CCN(c3cc[nH+]cc3)CC2)ccc1[N+](=O)[O-] ZINC000591011800 519474408 /nfs/dbraw/zinc/47/44/08/519474408.db2.gz FHCBACRIBYKKJX-UHFFFAOYSA-N 1 0 370.409 2.739 20 5 FFBDRO CCc1n[nH]c(C(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000583969186 519522081 /nfs/dbraw/zinc/52/20/81/519522081.db2.gz ROVGGEXEZZIKDH-ZDUSSCGKSA-N 1 0 365.821 2.566 20 5 FFBDRO O=[N+]([O-])c1cnc(N2CCC[N@H+](C[C@H]3CCCO3)CC2)c(C(F)(F)F)c1 ZINC000591138782 519527307 /nfs/dbraw/zinc/52/73/07/519527307.db2.gz RPWZYPJMPUPHBZ-CYBMUJFWSA-N 1 0 374.363 2.700 20 5 FFBDRO CSc1ccc(C(=O)NC[C@@H]2[NH2+]CCc3ccccc32)cc1[N+](=O)[O-] ZINC000584047802 519565958 /nfs/dbraw/zinc/56/59/58/519565958.db2.gz CTZQLVOVPQNPTN-HNNXBMFYSA-N 1 0 357.435 2.934 20 5 FFBDRO CC(C)(CCC[NH3+])NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000569474462 519570128 /nfs/dbraw/zinc/57/01/28/519570128.db2.gz BDWPCPJBYHEMED-UHFFFAOYSA-N 1 0 358.236 2.534 20 5 FFBDRO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N[C@@H]1CCC[NH2+]CC1 ZINC000591357229 519607426 /nfs/dbraw/zinc/60/74/26/519607426.db2.gz QOCJFOWIVCYWFF-GFCCVEGCSA-N 1 0 360.336 2.555 20 5 FFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000591402568 519617936 /nfs/dbraw/zinc/61/79/36/519617936.db2.gz WOVJQOBTBZMUSX-ZFWWWQNUSA-N 1 0 359.348 2.649 20 5 FFBDRO CCC(C)(C)[NH+]1CCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000594389498 519934524 /nfs/dbraw/zinc/93/45/24/519934524.db2.gz KMHWTIJMGFANQJ-UHFFFAOYSA-N 1 0 372.425 2.795 20 5 FFBDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000599916461 519948942 /nfs/dbraw/zinc/94/89/42/519948942.db2.gz CKBVODYJAUAKOT-QWHCGFSZSA-N 1 0 360.336 2.553 20 5 FFBDRO COc1ccc(CC(=O)N[C@H](CCC[NH3+])c2ccccc2)cc1[N+](=O)[O-] ZINC000591585323 519961226 /nfs/dbraw/zinc/96/12/26/519961226.db2.gz RTZAYVOBCTYFAI-MRXNPFEDSA-N 1 0 357.410 2.742 20 5 FFBDRO Cc1cc(C)c(S(=O)(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000594485146 519994318 /nfs/dbraw/zinc/99/43/18/519994318.db2.gz XJZYGDVAOOVVMP-CABCVRRESA-N 1 0 367.471 2.507 20 5 FFBDRO C[C@@](CO)([NH2+]CCOCC(F)(F)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000602963680 519997159 /nfs/dbraw/zinc/99/71/59/519997159.db2.gz YKECHOCMNOXQIA-LBPRGKRZSA-N 1 0 372.290 2.606 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000594515082 520010578 /nfs/dbraw/zinc/01/05/78/520010578.db2.gz QARPSMMTPNMJAC-KFWWJZLASA-N 1 0 351.447 2.581 20 5 FFBDRO C[NH+](C)CCOc1cnccc1CN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594518384 520012554 /nfs/dbraw/zinc/01/25/54/520012554.db2.gz HDGRNVIBPJZPFA-KRWDZBQOSA-N 1 0 356.426 2.707 20 5 FFBDRO Cc1c(NC(=O)CC[N@@H+]2CC[C@H](O)[C@H]3CCCC[C@@H]32)cccc1[N+](=O)[O-] ZINC000602997805 520014688 /nfs/dbraw/zinc/01/46/88/520014688.db2.gz RCABYIWXZAOPDW-WBAXXEDZSA-N 1 0 361.442 2.857 20 5 FFBDRO C[C@H](C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])Oc1ccc(F)cc1 ZINC000591744980 520018986 /nfs/dbraw/zinc/01/89/86/520018986.db2.gz YHMMUJCVXGDVFH-UKRRQHHQSA-N 1 0 364.373 2.531 20 5 FFBDRO Cc1ccc([C@H](C)[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(C)n1 ZINC000612574219 520029782 /nfs/dbraw/zinc/02/97/82/520029782.db2.gz BEZNVNRLKSUUHD-ZDUSSCGKSA-N 1 0 363.439 2.731 20 5 FFBDRO O=C(N[C@H]1CC12CC[NH2+]CC2)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000597441204 520030910 /nfs/dbraw/zinc/03/09/10/520030910.db2.gz QGTVJWYRQHJPGZ-WBVHZDCISA-N 1 0 358.442 2.626 20 5 FFBDRO O=C(c1c[nH]c2cc([N+](=O)[O-])ccc21)N1CCCN(c2cc[nH+]cc2)CC1 ZINC000603084547 520070108 /nfs/dbraw/zinc/07/01/08/520070108.db2.gz SJYJJNXGGNDRJB-UHFFFAOYSA-N 1 0 365.393 2.824 20 5 FFBDRO COC(=O)[C@@]1(OC)CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000600193897 520114205 /nfs/dbraw/zinc/11/42/05/520114205.db2.gz YLABPQZLOFHXAB-GOSISDBHSA-N 1 0 360.366 2.619 20 5 FFBDRO COc1cc(CN(C)CC(C)(C)[NH3+])c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000594735673 520123877 /nfs/dbraw/zinc/12/38/77/520123877.db2.gz MTVXSNGNUKNHKY-UHFFFAOYSA-N 1 0 365.352 2.714 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC([N@H+]2CCOC[C@@H]2C)CC1 ZINC000597676266 520169997 /nfs/dbraw/zinc/16/99/97/520169997.db2.gz HCOPRHDNJIKEAW-HNNXBMFYSA-N 1 0 361.442 2.537 20 5 FFBDRO Cc1ccc(NC(=O)c2ccc(N3C[C@H]4C[NH2+]C[C@@H]4C3)c([N+](=O)[O-])c2)cc1 ZINC000608972828 520170703 /nfs/dbraw/zinc/17/07/03/520170703.db2.gz OWUOTAXOSZGIDG-HZPDHXFCSA-N 1 0 366.421 2.811 20 5 FFBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000597701618 520186505 /nfs/dbraw/zinc/18/65/05/520186505.db2.gz VGSLCVZNCYQVHB-WBVHZDCISA-N 1 0 374.485 2.996 20 5 FFBDRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cc(-c3ccc([N+](=O)[O-])cc3)n[nH]1)C2 ZINC000597710870 520190081 /nfs/dbraw/zinc/19/00/81/520190081.db2.gz PPFGAEXPYMVJFH-LJQANCHMSA-N 1 0 369.425 2.543 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000600314174 520201591 /nfs/dbraw/zinc/20/15/91/520201591.db2.gz MFOBVCBHZZHDFA-STQMWFEESA-N 1 0 369.849 2.864 20 5 FFBDRO O=C(NCc1ccccc1)[C@@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000592155873 520232968 /nfs/dbraw/zinc/23/29/68/520232968.db2.gz SMDBOKALXSKZBW-GOSISDBHSA-N 1 0 353.422 2.776 20 5 FFBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+][C@H]1COc3cc(F)ccc3C1)OCCO2 ZINC000594978823 520241052 /nfs/dbraw/zinc/24/10/52/520241052.db2.gz WVDYYQOFMZYMFQ-CQSZACIVSA-N 1 0 360.341 2.598 20 5 FFBDRO COc1ccc(OCC[N@@H+]2CC3(C[C@H]2C)CCOCC3)c([N+](=O)[O-])c1 ZINC000592181532 520248940 /nfs/dbraw/zinc/24/89/40/520248940.db2.gz HHSHWOMVIVNISV-CQSZACIVSA-N 1 0 350.415 2.873 20 5 FFBDRO CN(CCCC[NH+]1CCCCC1)C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000603407548 520251276 /nfs/dbraw/zinc/25/12/76/520251276.db2.gz VGDHKNJSPJPUHA-UHFFFAOYSA-N 1 0 363.414 2.662 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC3(CC=CC3)[C@H]2c2ccccc2)c1 ZINC000592188899 520253907 /nfs/dbraw/zinc/25/39/07/520253907.db2.gz UWPQXAWUOYXXKM-ZWKOTPCHSA-N 1 0 354.410 2.546 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000595007806 520254267 /nfs/dbraw/zinc/25/42/67/520254267.db2.gz KVZIWTZFRXWODD-LSDHHAIUSA-N 1 0 363.458 2.755 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000595019415 520258157 /nfs/dbraw/zinc/25/81/57/520258157.db2.gz MYYFZKRIMLMQRS-OUCADQQQSA-N 1 0 356.444 2.610 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CCO[C@H](c2nccn2C)C1 ZINC000595051253 520269535 /nfs/dbraw/zinc/26/95/35/520269535.db2.gz MNEUVBNEFGHJTQ-DCGLDWPTSA-N 1 0 360.414 2.908 20 5 FFBDRO CS(=O)(=O)CC1(CC[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000595061656 520274127 /nfs/dbraw/zinc/27/41/27/520274127.db2.gz UHIODFZJYAQKDD-INIZCTEOSA-N 1 0 366.483 2.720 20 5 FFBDRO O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000600472230 520278250 /nfs/dbraw/zinc/27/82/50/520278250.db2.gz NJTCQVRCHYNDJU-GOSISDBHSA-N 1 0 369.425 2.527 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000597855056 520283886 /nfs/dbraw/zinc/28/38/86/520283886.db2.gz QBWUGUIKJIRZIY-CYBMUJFWSA-N 1 0 351.472 2.924 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000597854306 520283995 /nfs/dbraw/zinc/28/39/95/520283995.db2.gz FXPFOVSXLHHFSK-AWEZNQCLSA-N 1 0 371.441 2.631 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000597856803 520284864 /nfs/dbraw/zinc/28/48/64/520284864.db2.gz AJQKETSZHIJBRW-ZDUSSCGKSA-N 1 0 372.425 2.511 20 5 FFBDRO COc1cc(C(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)c([N+](=O)[O-])cc1F ZINC000597860548 520288654 /nfs/dbraw/zinc/28/86/54/520288654.db2.gz OHXLKGUOHDBTAV-NSHDSACASA-N 1 0 353.394 2.593 20 5 FFBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000609346106 520289137 /nfs/dbraw/zinc/28/91/37/520289137.db2.gz MOVMKSNAMVUGSU-SFHVURJKSA-N 1 0 360.458 2.874 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N3CC[C@H]4CC[NH2+][C@H]4C3)cc2[N+](=O)[O-])C1 ZINC000592248796 520290385 /nfs/dbraw/zinc/29/03/85/520290385.db2.gz UXFBUYYMMLAXSA-INMHGKMJSA-N 1 0 372.469 2.655 20 5 FFBDRO COc1cc(C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc([N+](=O)[O-])c1C ZINC000592255992 520293914 /nfs/dbraw/zinc/29/39/14/520293914.db2.gz VRNYEQHILDRVBC-CABCVRRESA-N 1 0 361.442 2.764 20 5 FFBDRO CN(C)C(=O)CC[NH+]1CCC(Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000609449053 520316217 /nfs/dbraw/zinc/31/62/17/520316217.db2.gz OIJGCMWWKJGKCE-UHFFFAOYSA-N 1 0 354.838 2.603 20 5 FFBDRO C[C@@](CO)([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000609483939 520326614 /nfs/dbraw/zinc/32/66/14/520326614.db2.gz TWOZNEQIGVBGQM-KRWDZBQOSA-N 1 0 363.801 2.684 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N3CCC(C)([NH3+])CC3)cc2[N+](=O)[O-])C1 ZINC000592330772 520339596 /nfs/dbraw/zinc/33/95/96/520339596.db2.gz DKYOGVIYQLLZMP-CQSZACIVSA-N 1 0 360.458 2.785 20 5 FFBDRO COc1cc(C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)cc([N+](=O)[O-])c1C ZINC000595222543 520357854 /nfs/dbraw/zinc/35/78/54/520357854.db2.gz MFVJFUIXYAOCIS-OAHLLOKOSA-N 1 0 361.442 2.764 20 5 FFBDRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)c2cc(C)cc([N+](=O)[O-])c2)cc1 ZINC000595256375 520375318 /nfs/dbraw/zinc/37/53/18/520375318.db2.gz OGXOARIJKNEKIY-OALUTQOASA-N 1 0 369.421 2.787 20 5 FFBDRO CCOc1ccc(C(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)cc1[N+](=O)[O-] ZINC000595259215 520377528 /nfs/dbraw/zinc/37/75/28/520377528.db2.gz YYHXZXIRKBXFFU-SFHVURJKSA-N 1 0 371.393 2.907 20 5 FFBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000595264454 520378306 /nfs/dbraw/zinc/37/83/06/520378306.db2.gz YHTIZEKYTQZNHG-RTBURBONSA-N 1 0 368.437 2.582 20 5 FFBDRO CCOc1ccc(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000595269804 520380444 /nfs/dbraw/zinc/38/04/44/520380444.db2.gz SGQVGXKFGWUCBZ-IAGOWNOFSA-N 1 0 369.421 2.869 20 5 FFBDRO CCN(C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](CC)C1 ZINC000598040183 520389377 /nfs/dbraw/zinc/38/93/77/520389377.db2.gz DKBRTWDPAMMACX-MRXNPFEDSA-N 1 0 360.458 2.751 20 5 FFBDRO COc1ccc(CNC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)cc1[N+](=O)[O-] ZINC000609710083 520413171 /nfs/dbraw/zinc/41/31/71/520413171.db2.gz NVIUMVXYLBTXIW-MRXNPFEDSA-N 1 0 366.462 2.769 20 5 FFBDRO [NH3+]C[C@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[C@@H]1C(F)(F)F ZINC000600726519 520427013 /nfs/dbraw/zinc/42/70/13/520427013.db2.gz LTBHPPCIMBTJON-ONGXEEELSA-N 1 0 358.320 2.695 20 5 FFBDRO CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000592528493 520441367 /nfs/dbraw/zinc/44/13/67/520441367.db2.gz SAROHBWPPXYCGT-VOKGJARPSA-N 1 0 357.332 2.608 20 5 FFBDRO CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000592528495 520441791 /nfs/dbraw/zinc/44/17/91/520441791.db2.gz SAROHBWPPXYCGT-ZDTYVGOBSA-N 1 0 357.332 2.608 20 5 FFBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592554167 520452872 /nfs/dbraw/zinc/45/28/72/520452872.db2.gz FMPCDGWFPXNQAI-HOTGVXAUSA-N 1 0 361.442 2.602 20 5 FFBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000595465021 520489739 /nfs/dbraw/zinc/48/97/39/520489739.db2.gz LOJDFURNZRGLCW-KRWDZBQOSA-N 1 0 360.458 2.559 20 5 FFBDRO Cc1n[nH]c(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000609996197 520500224 /nfs/dbraw/zinc/50/02/24/520500224.db2.gz XPVFFKARRNVCCO-XJKSGUPXSA-N 1 0 371.441 2.751 20 5 FFBDRO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)CCN1CCN(c2ccccc2)CC1 ZINC000610004154 520502692 /nfs/dbraw/zinc/50/26/92/520502692.db2.gz AMJBXCIAPBUKPR-UHFFFAOYSA-N 1 0 368.481 2.891 20 5 FFBDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000598266546 520529381 /nfs/dbraw/zinc/52/93/81/520529381.db2.gz ZEORXMKZYQADIQ-OAHLLOKOSA-N 1 0 371.441 2.631 20 5 FFBDRO COC[C@H](CCO)[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000610089947 520535298 /nfs/dbraw/zinc/53/52/98/520535298.db2.gz GHUFNIUPIIUNRC-INIZCTEOSA-N 1 0 359.426 2.850 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C[C@@H]1C ZINC000610125933 520550256 /nfs/dbraw/zinc/55/02/56/520550256.db2.gz ZCPQSERXIKGIHJ-GOEBONIOSA-N 1 0 358.442 2.881 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000604446362 520565470 /nfs/dbraw/zinc/56/54/70/520565470.db2.gz ZAWOIBHAQGLHCH-IACUBPJLSA-N 1 0 367.833 2.759 20 5 FFBDRO CCC[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2SCCOC)C1 ZINC000598343879 520565894 /nfs/dbraw/zinc/56/58/94/520565894.db2.gz XMQVTSSIYHXORA-ZDUSSCGKSA-N 1 0 367.471 2.547 20 5 FFBDRO CCC[N@@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2SCCOC)C1 ZINC000598343878 520566490 /nfs/dbraw/zinc/56/64/90/520566490.db2.gz XMQVTSSIYHXORA-CYBMUJFWSA-N 1 0 367.471 2.547 20 5 FFBDRO C[NH+](C)CCOc1ccccc1CNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601022663 520601022 /nfs/dbraw/zinc/60/10/22/520601022.db2.gz OWEXXLBOUZTUTI-UHFFFAOYSA-N 1 0 361.373 2.604 20 5 FFBDRO CCCN(C(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CC[N@H+](C)C1 ZINC000592833218 520608713 /nfs/dbraw/zinc/60/87/13/520608713.db2.gz WRSXGMPYCOWGCC-OCCSQVGLSA-N 1 0 369.849 2.958 20 5 FFBDRO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1C[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000595635910 520613581 /nfs/dbraw/zinc/61/35/81/520613581.db2.gz OOBSNOVTJSRJRT-SCDSUCTJSA-N 1 0 355.232 2.950 20 5 FFBDRO CC1(C)C[C@H]([N@H+](CCn2cc([N+](=O)[O-])ccc2=O)Cc2ccccc2)CO1 ZINC000595639373 520615385 /nfs/dbraw/zinc/61/53/85/520615385.db2.gz WVMHJUFSGUUXHT-SFHVURJKSA-N 1 0 371.437 2.826 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)c1 ZINC000610298513 520627827 /nfs/dbraw/zinc/62/78/27/520627827.db2.gz WYDHZXGSHSQAEN-MRXNPFEDSA-N 1 0 369.421 2.950 20 5 FFBDRO COc1ccc(NC(=O)C[NH2+][C@@H]2Cc3ccccc3[C@@H]2C)c([N+](=O)[O-])c1 ZINC000595705238 520662211 /nfs/dbraw/zinc/66/22/11/520662211.db2.gz FFJMPVLBVCXZHG-YVEFUNNKSA-N 1 0 355.394 2.860 20 5 FFBDRO C[C@H]1c2ccccc2C[C@H]1[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000595708530 520666290 /nfs/dbraw/zinc/66/62/90/520666290.db2.gz SWRXWJBQNCJOBK-SCLBCKFNSA-N 1 0 351.406 2.802 20 5 FFBDRO O=[N+]([O-])c1ccc2nccc(N3CCC[C@H]([NH+]4CCOCC4)CC3)c2c1 ZINC000601188978 520678984 /nfs/dbraw/zinc/67/89/84/520678984.db2.gz DJGZZTOEQYNVQN-HNNXBMFYSA-N 1 0 356.426 2.834 20 5 FFBDRO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000601198909 520682766 /nfs/dbraw/zinc/68/27/66/520682766.db2.gz JMRXMHHMJNOBTN-NSHDSACASA-N 1 0 361.368 2.881 20 5 FFBDRO CC[C@@H]1CN(C(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000598536763 520687012 /nfs/dbraw/zinc/68/70/12/520687012.db2.gz WDVMCNCNRDNSBB-DMDPSCGWSA-N 1 0 355.822 2.614 20 5 FFBDRO O=C(NCC1CC[NH+](CC2CC2)CC1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000598538192 520689760 /nfs/dbraw/zinc/68/97/60/520689760.db2.gz ZVMHMVBVCBRCNJ-UHFFFAOYSA-N 1 0 356.426 2.928 20 5 FFBDRO COc1ccc(C[NH+](C)C)cc1NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593027654 520692278 /nfs/dbraw/zinc/69/22/78/520692278.db2.gz XSVJGFPDRRWPME-UHFFFAOYSA-N 1 0 361.373 2.985 20 5 FFBDRO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000601227808 520699167 /nfs/dbraw/zinc/69/91/67/520699167.db2.gz WKRUWJXUNGUOLW-UHFFFAOYSA-N 1 0 373.339 2.554 20 5 FFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000598557152 520702745 /nfs/dbraw/zinc/70/27/45/520702745.db2.gz BQRBWEPJVAPLNJ-OAHLLOKOSA-N 1 0 361.442 2.845 20 5 FFBDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1Cc1cnn(C)c1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000595768717 520711555 /nfs/dbraw/zinc/71/15/55/520711555.db2.gz GOZVLGWCLQZWLG-NUEKZKHPSA-N 1 0 371.441 2.656 20 5 FFBDRO CC[C@@H]1COC(C)(C)C[N@@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000593058751 520716208 /nfs/dbraw/zinc/71/62/08/520716208.db2.gz NRBPGDCDCXQXNU-CYBMUJFWSA-N 1 0 363.414 2.782 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@H]3CCCO3)CC2)cc1C(F)(F)F ZINC000610514218 520724292 /nfs/dbraw/zinc/72/42/92/520724292.db2.gz WRRBCTYWHSPYME-CYBMUJFWSA-N 1 0 359.348 2.915 20 5 FFBDRO COC(=O)c1ccnc(N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000598613959 520744436 /nfs/dbraw/zinc/74/44/36/520744436.db2.gz ZYUOWPVQFKBJDM-ZFWWWQNUSA-N 1 0 370.409 2.851 20 5 FFBDRO COC1CC[NH+](CCNC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 ZINC000610571714 520745149 /nfs/dbraw/zinc/74/51/49/520745149.db2.gz ZMHQTOLRYWOPRK-UHFFFAOYSA-N 1 0 363.458 2.733 20 5 FFBDRO CC(C)C[N@@H+](Cc1cccc(Cl)c1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000598647795 520759965 /nfs/dbraw/zinc/75/99/65/520759965.db2.gz JDBKJBOWPJIULK-QGZVFWFLSA-N 1 0 366.849 2.964 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1c2ccccc2CC[C@H]1C[NH3+] ZINC000595902593 520809449 /nfs/dbraw/zinc/80/94/49/520809449.db2.gz ADAKKUDJBUKBFW-INIZCTEOSA-N 1 0 354.410 2.622 20 5 FFBDRO CCC1([NH+]2CCCC2)CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000601496454 520813366 /nfs/dbraw/zinc/81/33/66/520813366.db2.gz FFZYHXMJHGYZAP-UHFFFAOYSA-N 1 0 367.471 2.624 20 5 FFBDRO COCC1([NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CCCCC1 ZINC000595910986 520815520 /nfs/dbraw/zinc/81/55/20/520815520.db2.gz VQXAJGYJDGEGRO-UHFFFAOYSA-N 1 0 365.430 2.871 20 5 FFBDRO C[NH+](C)C[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)c2ccccc2O1 ZINC000610761869 520833017 /nfs/dbraw/zinc/83/30/17/520833017.db2.gz IPEFOFDEFUDZBJ-OAHLLOKOSA-N 1 0 359.357 2.703 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000601556430 520839543 /nfs/dbraw/zinc/83/95/43/520839543.db2.gz LLRRUBCNYRBQMJ-HZMBPMFUSA-N 1 0 368.231 2.571 20 5 FFBDRO C[C@H](Nc1ccc(C(=O)N[C@]2(C)CC[NH2+]C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000595992792 520847091 /nfs/dbraw/zinc/84/70/91/520847091.db2.gz SGXRGHYLIXZSOR-ORAYPTAESA-N 1 0 369.425 2.645 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CCc1nsc2ccccc12 ZINC000596064971 520890057 /nfs/dbraw/zinc/89/00/57/520890057.db2.gz LQNBVUSJFRQBGR-CYBMUJFWSA-N 1 0 373.434 2.777 20 5 FFBDRO Cc1cccc(N2CC[NH+](CCCNc3cc[nH]c(=O)c3[N+](=O)[O-])CC2)c1 ZINC000596075042 520895308 /nfs/dbraw/zinc/89/53/08/520895308.db2.gz XMSNNKUQWYTKSA-UHFFFAOYSA-N 1 0 371.441 2.628 20 5 FFBDRO COc1cc(N2CCC[N@H+](C[C@H]3CCCO3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596078617 520898666 /nfs/dbraw/zinc/89/86/66/520898666.db2.gz XWPQVJZPSFSFSP-CYBMUJFWSA-N 1 0 369.849 2.948 20 5 FFBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596088646 520906096 /nfs/dbraw/zinc/90/60/96/520906096.db2.gz MUMLGSQUTRKNOV-CJNGLKHVSA-N 1 0 354.410 2.941 20 5 FFBDRO COc1cc(N2CCC(OCC[NH+](C)C)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596122691 520924882 /nfs/dbraw/zinc/92/48/82/520924882.db2.gz AWCLOBBOCMEUCF-UHFFFAOYSA-N 1 0 357.838 2.804 20 5 FFBDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596127022 520928305 /nfs/dbraw/zinc/92/83/05/520928305.db2.gz SOULVUBANZLBNL-HUUCEWRRSA-N 1 0 360.458 2.785 20 5 FFBDRO Cc1c(CC(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)cccc1[N+](=O)[O-] ZINC000601772119 520944278 /nfs/dbraw/zinc/94/42/78/520944278.db2.gz IRQKHEJGBIKHPW-UHFFFAOYSA-N 1 0 357.414 2.548 20 5 FFBDRO C[NH+]1CCC(n2cc(NC(=O)C(C)(C)c3ccccc3[N+](=O)[O-])cn2)CC1 ZINC000601779407 520947748 /nfs/dbraw/zinc/94/77/48/520947748.db2.gz RKGNTTLFLMIGPJ-UHFFFAOYSA-N 1 0 371.441 2.974 20 5 FFBDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000593418501 520981380 /nfs/dbraw/zinc/98/13/80/520981380.db2.gz ICGUZENGXWPFEC-ZDUSSCGKSA-N 1 0 351.422 2.903 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@H+](Cc3cccc(C)c3)C2)c1 ZINC000601849881 520985763 /nfs/dbraw/zinc/98/57/63/520985763.db2.gz LLBCPPOIHSDNEY-INIZCTEOSA-N 1 0 369.421 2.916 20 5 FFBDRO COC(=O)c1c(Cl)c(N2CC[C@]3(CC[N@H+](C)C3)C2)ccc1[N+](=O)[O-] ZINC000596242777 520989554 /nfs/dbraw/zinc/98/95/54/520989554.db2.gz YLDSKDXIOFCMCU-INIZCTEOSA-N 1 0 353.806 2.567 20 5 FFBDRO CCOC(=O)c1cc(N2CC[C@@H](C3CC[NH+](C)CC3)C2)ccc1[N+](=O)[O-] ZINC000611116274 520993490 /nfs/dbraw/zinc/99/34/90/520993490.db2.gz QQJBBBPQLONEKL-OAHLLOKOSA-N 1 0 361.442 2.940 20 5 FFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000596266683 521001352 /nfs/dbraw/zinc/00/13/52/521001352.db2.gz UKAVCRPDLPUVIB-UHFFFAOYSA-N 1 0 373.375 2.945 20 5 FFBDRO Cn1ncc(C(F)(F)F)c1C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000599061838 521006504 /nfs/dbraw/zinc/00/65/04/521006504.db2.gz SJTORSDGOPTBLM-NEPJUHHUSA-N 1 0 372.351 2.817 20 5 FFBDRO CC(=O)c1cc([N+](=O)[O-])ccc1OC[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000611150017 521010987 /nfs/dbraw/zinc/01/09/87/521010987.db2.gz QXMIWXTUKXUHAA-QGZVFWFLSA-N 1 0 358.394 2.669 20 5 FFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1CCN1C1CCCC1 ZINC000599072936 521016614 /nfs/dbraw/zinc/01/66/14/521016614.db2.gz COPJPJUHKBHUCF-RDTXWAMCSA-N 1 0 360.458 2.918 20 5 FFBDRO CCc1cc(N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000599084596 521023429 /nfs/dbraw/zinc/02/34/29/521023429.db2.gz VLMURUYSKVVMNU-VQFNDLOPSA-N 1 0 353.426 2.610 20 5 FFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000611197562 521034271 /nfs/dbraw/zinc/03/42/71/521034271.db2.gz NRKKYXQKVOOUCY-UHFFFAOYSA-N 1 0 370.409 2.507 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(Cc2noc([C@@H]3CCn4cc(C)nc4C3)n2)c1 ZINC000599154486 521057599 /nfs/dbraw/zinc/05/75/99/521057599.db2.gz ZYUKHGLGLANKDK-GFCCVEGCSA-N 1 0 369.381 2.812 20 5 FFBDRO Cn1cnc([N+](=O)[O-])c1-c1noc(-c2ccc(C[NH+]3CCCC3)cc2)n1 ZINC000618417383 521059617 /nfs/dbraw/zinc/05/96/17/521059617.db2.gz QMCLAHDEAOHUKK-UHFFFAOYSA-N 1 0 354.370 2.641 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ccc(CN3CCC([NH2+]CCO)CC3)s2)cc1 ZINC000602018444 521080788 /nfs/dbraw/zinc/08/07/88/521080788.db2.gz CATWDSKAKPJAPR-UHFFFAOYSA-N 1 0 361.467 2.870 20 5 FFBDRO O=[N+]([O-])c1cc2c(cc1CN1CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C1)OCCO2 ZINC000611287364 521081497 /nfs/dbraw/zinc/08/14/97/521081497.db2.gz ZUDJVJXEWWGKGD-PBHICJAKSA-N 1 0 373.453 2.815 20 5 FFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCN2Cc3ccccc3C2)n1 ZINC000618567157 521127544 /nfs/dbraw/zinc/12/75/44/521127544.db2.gz ZCAKHCZQITWCOS-MSOLQXFVSA-N 1 0 355.442 2.880 20 5 FFBDRO CN(C)c1nc(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cs1 ZINC000618571602 521129909 /nfs/dbraw/zinc/12/99/09/521129909.db2.gz XAFOTHLUBXBEDR-OLZOCXBDSA-N 1 0 350.448 2.587 20 5 FFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC[C@]1(O)CCCOC1 ZINC000593719821 521174293 /nfs/dbraw/zinc/17/42/93/521174293.db2.gz HQYIRKUUCSQOOP-WMLDXEAASA-N 1 0 354.472 2.987 20 5 FFBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000611512579 521194628 /nfs/dbraw/zinc/19/46/28/521194628.db2.gz HYBCRFQEDNDHCB-OAHLLOKOSA-N 1 0 366.849 2.574 20 5 FFBDRO CCOc1cc(NC(=O)NCC[C@@H](C)[NH+](C)C)c([N+](=O)[O-])cc1OCC ZINC000596660034 521197125 /nfs/dbraw/zinc/19/71/25/521197125.db2.gz VZMIWOJHDNILOJ-GFCCVEGCSA-N 1 0 368.434 2.854 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000593763300 521201114 /nfs/dbraw/zinc/20/11/14/521201114.db2.gz JBVIWBKGHGQRAU-VBQJREDUSA-N 1 0 362.430 2.653 20 5 FFBDRO C[NH+](C)C1CCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000599400854 521201409 /nfs/dbraw/zinc/20/14/09/521201409.db2.gz GAKKTPWIZOVBEI-UHFFFAOYSA-N 1 0 356.220 2.524 20 5 FFBDRO Cc1cc(S(=O)(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)c(C)cc1[N+](=O)[O-] ZINC000599464517 521239946 /nfs/dbraw/zinc/23/99/46/521239946.db2.gz NAHGDEJMKATVJF-OAHLLOKOSA-N 1 0 367.471 2.507 20 5 FFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC([NH+]2CCOCC2)CC1 ZINC000599474807 521245513 /nfs/dbraw/zinc/24/55/13/521245513.db2.gz VOHKQQKWKFMGRO-UHFFFAOYSA-N 1 0 363.458 2.679 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCC(N3CC[NH+](C(C)C)CC3)CC2)n1 ZINC000611617406 521250041 /nfs/dbraw/zinc/25/00/41/521250041.db2.gz NHQYSYSVBOCPCE-UHFFFAOYSA-N 1 0 361.490 2.601 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N(C)CC[NH+]2CCCCC2)cc1SC ZINC000593882435 521270925 /nfs/dbraw/zinc/27/09/25/521270925.db2.gz HALQOTZOLFWAQM-UHFFFAOYSA-N 1 0 367.471 2.883 20 5 FFBDRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000593918563 521289808 /nfs/dbraw/zinc/28/98/08/521289808.db2.gz GEVAASXTDOKEMY-KMFMINBZSA-N 1 0 373.409 2.842 20 5 FFBDRO C[C@@H]1CCCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)[C@H]1CC[NH3+] ZINC000593916828 521290023 /nfs/dbraw/zinc/29/00/23/521290023.db2.gz SCQMYPQFLQGMLZ-WBVHZDCISA-N 1 0 374.485 2.787 20 5 FFBDRO Cc1c(NC(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000599597183 521321310 /nfs/dbraw/zinc/32/13/10/521321310.db2.gz VFEDCAZYPKLPMW-QWRGUYRKSA-N 1 0 360.336 2.894 20 5 FFBDRO Cn1cc(C[N@H+](C)CCCc2cc(-c3cccc(F)c3)n[nH]2)c([N+](=O)[O-])n1 ZINC000602450134 521353209 /nfs/dbraw/zinc/35/32/09/521353209.db2.gz UJNUULFIFGOIOJ-UHFFFAOYSA-N 1 0 372.404 2.922 20 5 FFBDRO COc1ccc(NC(=O)CC[N@@H+]2CCc3c(O)cccc3C2)c([N+](=O)[O-])c1 ZINC000599645160 521356062 /nfs/dbraw/zinc/35/60/62/521356062.db2.gz DEUGTQZADWUJHF-UHFFFAOYSA-N 1 0 371.393 2.696 20 5 FFBDRO O=C(N1CCC([C@@H]2CC[NH2+]C2)CC1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000602490997 521376833 /nfs/dbraw/zinc/37/68/33/521376833.db2.gz MEBUZSHLTQKMIU-MRXNPFEDSA-N 1 0 357.454 2.865 20 5 FFBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@H](CCO)c2cc(Cl)cc(Cl)c2)c1 ZINC000599667079 521379530 /nfs/dbraw/zinc/37/95/30/521379530.db2.gz PTSHFHOEGRXHDP-CQSZACIVSA-N 1 0 359.213 2.811 20 5 FFBDRO C[C@@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)N1CCC[C@H](C)C1 ZINC000602514453 521387408 /nfs/dbraw/zinc/38/74/08/521387408.db2.gz JOFTZWNYYFOLOD-HOTGVXAUSA-N 1 0 361.490 2.669 20 5 FFBDRO C[C@@H](COCC(F)(F)F)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602531023 521396812 /nfs/dbraw/zinc/39/68/12/521396812.db2.gz BNHFQBQBVDBNOX-NSHDSACASA-N 1 0 362.352 2.516 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000594098838 521403220 /nfs/dbraw/zinc/40/32/20/521403220.db2.gz WYPPQVOMXJFRFT-KFWWJZLASA-N 1 0 364.446 2.831 20 5 FFBDRO CCO[C@H]1C[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C12CCC2 ZINC000602548717 521405696 /nfs/dbraw/zinc/40/56/96/521405696.db2.gz VTORSXGFIFKKQD-IRXDYDNUSA-N 1 0 360.458 2.896 20 5 FFBDRO NC(=O)[C@H]1CCC[C@H]([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602552027 521407600 /nfs/dbraw/zinc/40/76/00/521407600.db2.gz RLYIHNZSERODOG-YUMQZZPRSA-N 1 0 362.249 2.553 20 5 FFBDRO NC(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602552022 521407817 /nfs/dbraw/zinc/40/78/17/521407817.db2.gz RLYIHNZSERODOG-HTQZYQBOSA-N 1 0 362.249 2.553 20 5 FFBDRO COc1ccc(CN2CC[C@H]2CNC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000599697170 521408594 /nfs/dbraw/zinc/40/85/94/521408594.db2.gz WGADGKYMJHECGR-KRWDZBQOSA-N 1 0 370.409 2.999 20 5 FFBDRO COC(=O)C1C[C@@H](C)[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000599699197 521411314 /nfs/dbraw/zinc/41/13/14/521411314.db2.gz XMDZMAASSCNRJG-CHWSQXEVSA-N 1 0 363.414 2.585 20 5 FFBDRO CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602563701 521413582 /nfs/dbraw/zinc/41/35/82/521413582.db2.gz GVGOMXNJARWEJL-BRHMAQAHSA-N 1 0 351.428 2.905 20 5 FFBDRO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602568318 521415529 /nfs/dbraw/zinc/41/55/29/521415529.db2.gz JPKZCOGVYAIJRH-PELKAZGASA-N 1 0 360.277 2.991 20 5 FFBDRO Cn1nc(C(=O)OC(C)(C)C)cc1C[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000602581626 521423185 /nfs/dbraw/zinc/42/31/85/521423185.db2.gz XHIBOFNLXZXGGD-UHFFFAOYSA-N 1 0 360.414 2.616 20 5 FFBDRO CC(C)(C(=O)NCC[C@@H]([NH3+])Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000602586355 521425426 /nfs/dbraw/zinc/42/54/26/521425426.db2.gz AJINGPOVJFIFLQ-QGZVFWFLSA-N 1 0 355.438 2.949 20 5 FFBDRO Cn1ncc(C2CCC2)c1C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000597015784 521446870 /nfs/dbraw/zinc/44/68/70/521446870.db2.gz XVVLGIXTWJJGIO-AWEZNQCLSA-N 1 0 356.430 2.677 20 5 FFBDRO COCC[C@]1([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CCOC1 ZINC000602638528 521451988 /nfs/dbraw/zinc/45/19/88/521451988.db2.gz VBYPGEVEEYJPJO-LBPRGKRZSA-N 1 0 365.249 2.704 20 5 FFBDRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000594198652 521463931 /nfs/dbraw/zinc/46/39/31/521463931.db2.gz UIHDLABNHTWJSU-OLZOCXBDSA-N 1 0 369.368 2.943 20 5 FFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594198142 521464206 /nfs/dbraw/zinc/46/42/06/521464206.db2.gz SJRNZFFUGYKQCH-JKSUJKDBSA-N 1 0 351.834 2.924 20 5 FFBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)Nc3cc(Cl)cc([N+](=O)[O-])c3N)CC[C@@H]21 ZINC000597102537 521507262 /nfs/dbraw/zinc/50/72/62/521507262.db2.gz XUCAYUCKMYLIEO-GWCFXTLKSA-N 1 0 367.837 2.778 20 5 FFBDRO CCOC(=O)[C@]1(C)CCC[C@H]1[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000597236199 521589630 /nfs/dbraw/zinc/58/96/30/521589630.db2.gz PBVUKDUFVIIZCY-SJLPKXTDSA-N 1 0 364.398 2.578 20 5 FFBDRO CC(C)[N@@H+]1CCCC[C@@H]1CN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000619863435 521909902 /nfs/dbraw/zinc/90/99/02/521909902.db2.gz FUDKKTIACPVLER-APWZRJJASA-N 1 0 374.441 2.625 20 5 FFBDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000057156390 535520054 /nfs/dbraw/zinc/52/00/54/535520054.db2.gz DTPKRPXDKYOKLR-GFCCVEGCSA-N 1 0 352.391 2.743 20 5 FFBDRO COC(=O)c1cc(C)nc(NCCC[NH2+]C2CCCCC2)c1[N+](=O)[O-] ZINC000515418039 562010103 /nfs/dbraw/zinc/01/01/03/562010103.db2.gz GOZRWIPJXDFMDM-UHFFFAOYSA-N 1 0 350.419 2.809 20 5 FFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000470933577 560994486 /nfs/dbraw/zinc/99/44/86/560994486.db2.gz SBMSBSVPZWFUDP-UHFFFAOYSA-N 1 0 353.338 2.827 20 5 FFBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCSCc1ccccc1-c1nn[nH]n1 ZINC000738367984 598361362 /nfs/dbraw/zinc/36/13/62/598361362.db2.gz ANBBVBOQIREPLC-UHFFFAOYSA-N 1 0 370.438 2.798 20 5 FFBDRO O=[N+]([O-])c1cccc(C[NH2+]CCSCc2ccccc2-c2nn[nH]n2)c1 ZINC000738367305 598361469 /nfs/dbraw/zinc/36/14/69/598361469.db2.gz QERMZSIRJQNNKZ-UHFFFAOYSA-N 1 0 370.438 2.798 20 5 FFBDRO C[C@@H](CNc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1)[N@H+](C)Cc1ccccc1 ZINC000736026169 598676422 /nfs/dbraw/zinc/67/64/22/598676422.db2.gz LUMBTWZFWKPCGL-ZDUSSCGKSA-N 1 0 367.413 2.707 20 5 FFBDRO C[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1cccc(-c2nn[nH]n2)c1 ZINC000824598729 608484585 /nfs/dbraw/zinc/48/45/85/608484585.db2.gz HXZSDXIYDCWUDF-GFCCVEGCSA-N 1 0 354.370 2.505 20 5 FFBDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cccc([N+](=O)[O-])n3)CC[C@@H]21 ZINC001164832952 720519773 /nfs/dbraw/zinc/51/97/73/720519773.db2.gz CCNMASFKISGJEX-ULQDDVLXSA-N 1 0 370.457 2.564 20 5 FFBDRO Cc1cc(N2CC[C@@H]3[C@@H]2CC[N@H+]3CCN(C)C)nc2ccc([N+](=O)[O-])cc12 ZINC001164932510 721855350 /nfs/dbraw/zinc/85/53/50/721855350.db2.gz YNOSJQLJNVGIQI-MOPGFXCFSA-N 1 0 369.469 2.666 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N2CCCC[C@@H]2CC[NH+]2CCCC2)c1 ZINC001165047051 721972691 /nfs/dbraw/zinc/97/26/91/721972691.db2.gz DMHGPVITTYRYHH-CYBMUJFWSA-N 1 0 354.838 2.726 20 5 FFBDRO CN(CC[NH+]1CCCC1)C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000159107561 728900991 /nfs/dbraw/zinc/90/09/91/728900991.db2.gz VBNJIBHFXPBLKA-UHFFFAOYSA-N 1 0 356.220 2.525 20 5 FFBDRO CC[NH+](CC)C[C@@H]1CCN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000744420428 735353564 /nfs/dbraw/zinc/35/35/64/735353564.db2.gz QYMORAOLBCSZMP-ZDUSSCGKSA-N 1 0 368.865 2.850 20 5 FFBDRO CC(C)(C)C[N@H+](CCCO)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000109747574 728529105 /nfs/dbraw/zinc/52/91/05/728529105.db2.gz BBEDBYYEYKVLND-UHFFFAOYSA-N 1 0 357.838 2.917 20 5 FFBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000129583483 728712130 /nfs/dbraw/zinc/71/21/30/728712130.db2.gz QZVXESKBNXAKOP-LBPRGKRZSA-N 1 0 358.826 2.727 20 5 FFBDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000152106589 728747989 /nfs/dbraw/zinc/74/79/89/728747989.db2.gz SERIEVZGQQGRQP-CQSZACIVSA-N 1 0 369.487 2.525 20 5 FFBDRO O=C(CN1CCC[C@@H]1C[NH+]1CCCC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000171708274 729010986 /nfs/dbraw/zinc/01/09/86/729010986.db2.gz DMZFAWZCBAZVSN-CQSZACIVSA-N 1 0 366.849 2.747 20 5 FFBDRO CC(C)C[N@H+](CCn1ccc([N+](=O)[O-])n1)C[C@@H](O)c1ccc(F)cc1 ZINC000176248197 729113108 /nfs/dbraw/zinc/11/31/08/729113108.db2.gz GQRZCDXWLXJXSM-MRXNPFEDSA-N 1 0 350.394 2.622 20 5 FFBDRO C[C@@H]1C[NH+](C[C@H]2CCCN2Cc2cc(F)ccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000249830685 729621584 /nfs/dbraw/zinc/62/15/84/729621584.db2.gz TWZNDYJOLZGYOG-CKEIUWERSA-N 1 0 351.422 2.808 20 5 FFBDRO O=[N+]([O-])c1cc(CN2CCC3(C2)CC[NH2+]CC3)ccc1Br ZINC000262134591 729659658 /nfs/dbraw/zinc/65/96/58/729659658.db2.gz YOEJQWAIKLOZHY-UHFFFAOYSA-N 1 0 354.248 2.933 20 5 FFBDRO CO[C@@H]1C[N@H+](C)[C@](C)(COC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000861352741 730603351 /nfs/dbraw/zinc/60/33/51/730603351.db2.gz KBLBWDUJCDIMMU-UGSOOPFHSA-N 1 0 350.415 2.525 20 5 FFBDRO CSC1(CNC(=O)c2cccc([N+](=O)[O-])c2Cl)CC[NH+](C)CC1 ZINC000861768881 730640070 /nfs/dbraw/zinc/64/00/70/730640070.db2.gz BMKHDRRGWRMNOM-UHFFFAOYSA-N 1 0 357.863 2.805 20 5 FFBDRO C[N@H+](CC(=O)N[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F)C1CCC1 ZINC000863926169 730816018 /nfs/dbraw/zinc/81/60/18/730816018.db2.gz SMLDIOJXTYOTOA-AWEZNQCLSA-N 1 0 363.311 2.938 20 5 FFBDRO CN(CCCC[NH+](C)C)C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000865975999 731017815 /nfs/dbraw/zinc/01/78/15/731017815.db2.gz DQVJODLLHOUCSN-UHFFFAOYSA-N 1 0 372.263 2.700 20 5 FFBDRO CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000866386178 731054113 /nfs/dbraw/zinc/05/41/13/731054113.db2.gz BBIOUGQIQDUXOA-DLTLXFJOSA-N 1 0 354.422 2.821 20 5 FFBDRO C[C@@]([NH3+])(C(=O)NCCc1ccc(Cl)s1)c1cccc([N+](=O)[O-])c1 ZINC000867949322 731244716 /nfs/dbraw/zinc/24/47/16/731244716.db2.gz VMCCAAWMYKZCGX-HNNXBMFYSA-N 1 0 353.831 2.843 20 5 FFBDRO O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000868138129 731262653 /nfs/dbraw/zinc/26/26/53/731262653.db2.gz FTPDLCWWCFHSFG-RYUDHWBXSA-N 1 0 369.219 2.716 20 5 FFBDRO C[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)[C@H]1O)c1c(F)cccc1[N+](=O)[O-] ZINC000872068224 731725976 /nfs/dbraw/zinc/72/59/76/731725976.db2.gz FODDWGUCBXQRIU-DCGLDWPTSA-N 1 0 352.406 2.952 20 5 FFBDRO CNC(=O)[C@H](CCSC)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872073472 731726865 /nfs/dbraw/zinc/72/68/65/731726865.db2.gz QWSHBHPSOXTOCA-MFKMUULPSA-N 1 0 357.501 2.835 20 5 FFBDRO COCCOC1(C[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])CCOCC1 ZINC000872074437 731726908 /nfs/dbraw/zinc/72/69/08/731726908.db2.gz DUGIZRNQHJIDPH-ZDUSSCGKSA-N 1 0 356.394 2.597 20 5 FFBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CCN(CC(C)(C)O)C1 ZINC000872090316 731728637 /nfs/dbraw/zinc/72/86/37/731728637.db2.gz AORQSICNSQBRMN-OLZOCXBDSA-N 1 0 353.488 2.813 20 5 FFBDRO COc1cc(F)c([N+](=O)[O-])c(N2C[C@@H]([NH+]3CCCC3)[C@@H](SC)C2)c1 ZINC000780583688 738558681 /nfs/dbraw/zinc/55/86/81/738558681.db2.gz USZXTFYECXSRSO-CABCVRRESA-N 1 0 355.435 2.759 20 5 FFBDRO CC[N@H+](CCNS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl)C(C)C ZINC000780856250 738582006 /nfs/dbraw/zinc/58/20/06/738582006.db2.gz NUSMMKVTWKKMCS-UHFFFAOYSA-N 1 0 363.867 2.565 20 5 FFBDRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000876999770 732309598 /nfs/dbraw/zinc/30/95/98/732309598.db2.gz YGRFHWJAHKVIJX-LBPRGKRZSA-N 1 0 374.210 2.566 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000877018085 732313157 /nfs/dbraw/zinc/31/31/57/732313157.db2.gz KTUZSQWPEMNRSA-NEPJUHHUSA-N 1 0 359.348 2.811 20 5 FFBDRO COc1ccc([C@@H]2CN(C(=O)c3cc([N+](=O)[O-])c(C)s3)C[C@H]2[NH3+])cc1 ZINC000877236307 732335480 /nfs/dbraw/zinc/33/54/80/732335480.db2.gz HSDKYBFNRHRRAV-UONOGXRCSA-N 1 0 361.423 2.540 20 5 FFBDRO C[C@]12COC[C@H]1C[N@H+](Cc1nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o1)C2 ZINC000878949128 732620438 /nfs/dbraw/zinc/62/04/38/732620438.db2.gz IXLUSQSQGCQURP-HWPZZCPQSA-N 1 0 364.789 2.767 20 5 FFBDRO Cc1csc([C@@H]2CC[N@H+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])C2)n1 ZINC000880008765 732818879 /nfs/dbraw/zinc/81/88/79/732818879.db2.gz HDKAYOSQULOXOA-ZIAGYGMSSA-N 1 0 363.439 2.589 20 5 FFBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1CN1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC000880072976 732842203 /nfs/dbraw/zinc/84/22/03/732842203.db2.gz NXABWEINXPPLHD-QWHCGFSZSA-N 1 0 360.241 2.543 20 5 FFBDRO O=C1CC2(CCC2)N(Cc2ccc(Br)c([N+](=O)[O-])c2)CCN1 ZINC000880168613 732858750 /nfs/dbraw/zinc/85/87/50/732858750.db2.gz RRQZEBSOFPWHBE-UHFFFAOYSA-N 1 0 368.231 2.602 20 5 FFBDRO CC[C@@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@H]1CCCOC1 ZINC000880468283 732912031 /nfs/dbraw/zinc/91/20/31/732912031.db2.gz CPMGCLOQRBBIEY-SWLSCSKDSA-N 1 0 353.394 2.857 20 5 FFBDRO O=C(Cc1cccc(F)c1)NCC[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783585075 738817142 /nfs/dbraw/zinc/81/71/42/738817142.db2.gz OOVNFKAALJHDCL-UHFFFAOYSA-N 1 0 365.792 2.836 20 5 FFBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC(C[NH+](C)C)CC1 ZINC000729266276 734568525 /nfs/dbraw/zinc/56/85/25/734568525.db2.gz VBIUEUHLWJSEAP-GFCCVEGCSA-N 1 0 368.865 2.849 20 5 FFBDRO COc1c(O)ccc(C[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)c1[N+](=O)[O-] ZINC000893277498 734679166 /nfs/dbraw/zinc/67/91/66/734679166.db2.gz YZAHZECLQDDSIR-GMXABZIVSA-N 1 0 356.469 2.778 20 5 FFBDRO C[NH+](C)CCOc1cc(CNCc2ccc(Cl)cc2[N+](=O)[O-])ccn1 ZINC000893392783 734696558 /nfs/dbraw/zinc/69/65/58/734696558.db2.gz LKWSXMMQRMAHQZ-UHFFFAOYSA-N 1 0 364.833 2.873 20 5 FFBDRO CN1CC[N@H+](C)C[C@H]1CNc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000732050624 734714619 /nfs/dbraw/zinc/71/46/19/734714619.db2.gz XVLWOVVDPSKBSL-SECBINFHSA-N 1 0 366.771 2.925 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C[C@H]1CCC2(CCOCC2)[C@@H]1O ZINC000894277776 734829438 /nfs/dbraw/zinc/82/94/38/734829438.db2.gz MSPWVOJSUFPDHX-CZUORRHYSA-N 1 0 354.834 2.906 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@H](O)C3CC3)CC2)c(C(F)(F)F)c1 ZINC000734142083 734876474 /nfs/dbraw/zinc/87/64/74/734876474.db2.gz MDOVAFDMXJJULU-HNNXBMFYSA-N 1 0 359.348 2.507 20 5 FFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[NH+](C[C@H](O)C2CC2)CC1 ZINC000734142678 734876620 /nfs/dbraw/zinc/87/66/20/734876620.db2.gz XLZZVUREGPDHCO-HNNXBMFYSA-N 1 0 359.348 2.507 20 5 FFBDRO NC(=O)[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C[C@H]1c1ccccc1 ZINC000895005885 734950807 /nfs/dbraw/zinc/95/08/07/734950807.db2.gz BKVJAVGQUWABEQ-LSDHHAIUSA-N 1 0 359.813 2.949 20 5 FFBDRO Cc1c(Br)c(N2CC[C@@H](CC[NH+](C)C)C2)ncc1[N+](=O)[O-] ZINC000895324441 734990986 /nfs/dbraw/zinc/99/09/86/734990986.db2.gz HFVIENCLUCSQFZ-LLVKDONJSA-N 1 0 357.252 2.839 20 5 FFBDRO CC[C@H](C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[NH+](CC)CC ZINC000741032816 735111744 /nfs/dbraw/zinc/11/17/44/735111744.db2.gz NMTOXKJDPRKZBA-CQSZACIVSA-N 1 0 371.821 2.850 20 5 FFBDRO COc1c(O)ccc(C[NH2+]CC[C@@H]2CC[C@@H](C(F)(F)F)O2)c1[N+](=O)[O-] ZINC000896810516 735184359 /nfs/dbraw/zinc/18/43/59/735184359.db2.gz VWBPGUSJUGRXDG-JQWIXIFHSA-N 1 0 364.320 2.899 20 5 FFBDRO COc1c(O)ccc(C[NH2+]C[C@@H]2CCC[C@@H](C(F)(F)F)O2)c1[N+](=O)[O-] ZINC000896822163 735184912 /nfs/dbraw/zinc/18/49/12/735184912.db2.gz HSDCYCRGDBDMFC-JQWIXIFHSA-N 1 0 364.320 2.899 20 5 FFBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]C[C@@H]3CCCN3CC(F)(F)F)nc2c1 ZINC000896838084 735185373 /nfs/dbraw/zinc/18/53/73/735185373.db2.gz BFHMHDPBHFNZGK-NSHDSACASA-N 1 0 358.320 2.852 20 5 FFBDRO CC(C)(C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])CS(C)(=O)=O ZINC000896869133 735186291 /nfs/dbraw/zinc/18/62/91/735186291.db2.gz WIPSAVVUBRARRC-UHFFFAOYSA-N 1 0 368.377 2.774 20 5 FFBDRO COC(=O)COc1ccc(C[NH+]2CCC(CSC)CC2)cc1[N+](=O)[O-] ZINC000896940595 735188759 /nfs/dbraw/zinc/18/87/59/735188759.db2.gz HGKVJZORELKZRZ-UHFFFAOYSA-N 1 0 368.455 2.722 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)NCC[N@@H+]2CCC[C@@H]2C)cc1SC ZINC000742241196 735214199 /nfs/dbraw/zinc/21/41/99/735214199.db2.gz XTGOBQIQTWRCCI-NSHDSACASA-N 1 0 353.444 2.539 20 5 FFBDRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000899814641 735556433 /nfs/dbraw/zinc/55/64/33/735556433.db2.gz IRDYQKUXXPDJQQ-GFCCVEGCSA-N 1 0 360.801 2.994 20 5 FFBDRO O=[N+]([O-])c1cccc(Cl)c1CCc1nc(CC2CC[NH2+]CC2)no1 ZINC000900017870 735590034 /nfs/dbraw/zinc/59/00/34/735590034.db2.gz XRZJQEWCBBKKGR-UHFFFAOYSA-N 1 0 350.806 2.959 20 5 FFBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CCCNc2ncccn2)c1 ZINC000751506205 735888363 /nfs/dbraw/zinc/88/83/63/735888363.db2.gz JPPUMBDBTIODBG-UHFFFAOYSA-N 1 0 353.329 2.578 20 5 FFBDRO CS(=O)(=O)C1CCC(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000903149512 736041564 /nfs/dbraw/zinc/04/15/64/736041564.db2.gz DNOGXOVBRWENOK-SEEARECTSA-N 1 0 352.456 2.775 20 5 FFBDRO O=C(C[NH2+][C@H](CCO)c1cccs1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000754391535 736155681 /nfs/dbraw/zinc/15/56/81/736155681.db2.gz XUXKGFGTJYTRGR-GFCCVEGCSA-N 1 0 369.830 2.962 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CC[C@H]2CCC(F)(F)C2)cc1 ZINC000905674280 736380235 /nfs/dbraw/zinc/38/02/35/736380235.db2.gz HCBBVNREUJRRSD-GFCCVEGCSA-N 1 0 362.398 2.784 20 5 FFBDRO C[C@@H](Cc1cccc(F)c1)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000757676560 736418802 /nfs/dbraw/zinc/41/88/02/736418802.db2.gz URDZDYJBOOPZKH-ZDUSSCGKSA-N 1 0 366.414 2.728 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000906791354 736544100 /nfs/dbraw/zinc/54/41/00/736544100.db2.gz LCGAMOLJBKMBBK-GXFFZTMASA-N 1 0 354.838 2.633 20 5 FFBDRO C[C@@H]1C[N@H+](CCCNC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)CCCO1 ZINC000907756786 736664021 /nfs/dbraw/zinc/66/40/21/736664021.db2.gz SKXRCFURRLBTEV-LLVKDONJSA-N 1 0 373.812 2.618 20 5 FFBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC000908148683 736726775 /nfs/dbraw/zinc/72/67/75/736726775.db2.gz UJLPTVIEAZMEPQ-PWSUYJOCSA-N 1 0 352.822 2.529 20 5 FFBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000763275357 736921992 /nfs/dbraw/zinc/92/19/92/736921992.db2.gz GLRFIKIPYDRJCM-ZDUSSCGKSA-N 1 0 357.863 2.644 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])c(NC[C@H]2CC[N@@H+](C3CC3)C2)cc1Cl ZINC000765470278 737121527 /nfs/dbraw/zinc/12/15/27/737121527.db2.gz YBDDUFJYLRGVBD-SNVBAGLBSA-N 1 0 353.806 2.931 20 5 FFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@](C)(O)c1cccs1 ZINC000766114991 737196328 /nfs/dbraw/zinc/19/63/28/737196328.db2.gz IAFWHOUMBMIRED-PXAZEXFGSA-N 1 0 363.439 2.871 20 5 FFBDRO C[NH+](C)CC[C@H](NC(=O)c1cc2nsnc2c([N+](=O)[O-])c1)C(C)(C)C ZINC000771511305 737731686 /nfs/dbraw/zinc/73/16/86/737731686.db2.gz UZWAVBNCKFHMPF-ZDUSSCGKSA-N 1 0 365.459 2.696 20 5 FFBDRO Cc1cc(S(=O)(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)cc([N+](=O)[O-])c1F ZINC000771756095 737752301 /nfs/dbraw/zinc/75/23/01/737752301.db2.gz AVLXRJWPRCEYRQ-CHWSQXEVSA-N 1 0 373.450 2.584 20 5 FFBDRO C[C@](O)(C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)c1ccsc1 ZINC000774196285 737968158 /nfs/dbraw/zinc/96/81/58/737968158.db2.gz AEEWFRZAYOWAQT-LZWOXQAQSA-N 1 0 350.444 2.834 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC1CCC(S(C)(=O)=O)CC1 ZINC000922420103 738142554 /nfs/dbraw/zinc/14/25/54/738142554.db2.gz UFRYIGKAKBQVRP-UHFFFAOYSA-N 1 0 370.471 2.687 20 5 FFBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]CCc1nc3c(s1)CCC3)OCCO2 ZINC000922718373 738191244 /nfs/dbraw/zinc/19/12/44/738191244.db2.gz UDGXRJRGBXBFNB-UHFFFAOYSA-N 1 0 361.423 2.644 20 5 FFBDRO CC(C)[NH+]1CCC(N(C)C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)CC1 ZINC000929725779 739014943 /nfs/dbraw/zinc/01/49/43/739014943.db2.gz LGUQURJNKALOAW-UHFFFAOYSA-N 1 0 372.828 2.914 20 5 FFBDRO CCO[C@H](CNC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C)C[NH+](C)C ZINC000931626926 739299405 /nfs/dbraw/zinc/29/94/05/739299405.db2.gz VOHSQVQGJMWUJG-LLVKDONJSA-N 1 0 358.826 2.645 20 5 FFBDRO CC[NH+]1CCC(N(C)C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)CC1 ZINC000931634743 739300500 /nfs/dbraw/zinc/30/05/00/739300500.db2.gz FXKILINMOBLZPV-UHFFFAOYSA-N 1 0 358.801 2.526 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000790269595 739431046 /nfs/dbraw/zinc/43/10/46/739431046.db2.gz BTSTVIGNUDKCGJ-IAQYHMDHSA-N 1 0 367.833 2.955 20 5 FFBDRO COC(=O)c1cnc([C@@H]2CC[N@H+](CCc3ccc([N+](=O)[O-])cc3)C2)s1 ZINC000932662933 739486901 /nfs/dbraw/zinc/48/69/01/739486901.db2.gz KYLRIKWGLMENRU-CYBMUJFWSA-N 1 0 361.423 2.870 20 5 FFBDRO CCOC(=O)C1([C@@H](C)[NH2+]Cc2ccc(F)cc2[N+](=O)[O-])CCOCC1 ZINC000933879405 739700137 /nfs/dbraw/zinc/70/01/37/739700137.db2.gz DPLFMYVEVYHKCG-GFCCVEGCSA-N 1 0 354.378 2.572 20 5 FFBDRO CCOC(=O)C1([C@H](C)[NH2+]Cc2c(F)cccc2[N+](=O)[O-])CCOCC1 ZINC000933881938 739700649 /nfs/dbraw/zinc/70/06/49/739700649.db2.gz CWLDPRQURPLWJY-LBPRGKRZSA-N 1 0 354.378 2.572 20 5 FFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCOC12CCOCC2 ZINC000934407293 739783155 /nfs/dbraw/zinc/78/31/55/739783155.db2.gz ZRPXQRJOHVIWND-QGZVFWFLSA-N 1 0 350.415 2.810 20 5 FFBDRO CC(C)[C@@H](C(=O)OCc1ccc([N+](=O)[O-])cc1Br)[NH+](C)C ZINC000798832848 740366176 /nfs/dbraw/zinc/36/61/76/740366176.db2.gz YADTVRWGVVIYKF-ZDUSSCGKSA-N 1 0 359.220 2.987 20 5 FFBDRO C[C@@H]1CCC[C@](CNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)([NH+](C)C)C1 ZINC000801834773 740656128 /nfs/dbraw/zinc/65/61/28/740656128.db2.gz VWUXRWFUPGRYSO-DIFFPNOSSA-N 1 0 352.410 2.556 20 5 FFBDRO CC[NH+](CC)[C@@H](CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N)CC(C)C ZINC000801895338 740661796 /nfs/dbraw/zinc/66/17/96/740661796.db2.gz HXFDXNSNHUHUFH-GFCCVEGCSA-N 1 0 354.426 2.802 20 5 FFBDRO C[N@@H+]1CCCC[C@H]1CN1CCN(c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000804443000 740874494 /nfs/dbraw/zinc/87/44/94/740874494.db2.gz UDZBHZFUEUAGDU-HNNXBMFYSA-N 1 0 352.866 2.855 20 5 FFBDRO C[N@H+](Cc1ccc(Cl)cc1F)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985432160 741395241 /nfs/dbraw/zinc/39/52/41/741395241.db2.gz WTGIXFXEXPBWTH-GDBMZVCRSA-N 1 0 369.824 2.567 20 5 FFBDRO COCC[N@H+](C)CCCNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811474162 741527094 /nfs/dbraw/zinc/52/70/94/741527094.db2.gz VVSQQMYBVSIDIX-UHFFFAOYSA-N 1 0 350.246 2.960 20 5 FFBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])[C@H]1n1cccn1 ZINC000815166292 741908214 /nfs/dbraw/zinc/90/82/14/741908214.db2.gz AAHJPXRCJRSSRL-NUEKZKHPSA-N 1 0 350.806 2.953 20 5 FFBDRO O=[N+]([O-])c1cc(C[NH2+][C@H](C2CC2)C2(CO)CCOCC2)ccc1Cl ZINC000816657039 742051391 /nfs/dbraw/zinc/05/13/91/742051391.db2.gz IUGOLPITKRPJOL-MRXNPFEDSA-N 1 0 354.834 2.906 20 5 FFBDRO O=C(NC1CC[NH+](C/C=C/c2ccc(Cl)cc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001002786459 742173595 /nfs/dbraw/zinc/17/35/95/742173595.db2.gz AXJOPULMRTYXSK-KBXQFXQKSA-N 1 0 363.845 2.599 20 5 FFBDRO C[C@@H]1C[C@H](C)N(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000818023311 742231081 /nfs/dbraw/zinc/23/10/81/742231081.db2.gz IPCMQNVREKTBHH-JFGNBEQYSA-N 1 0 357.813 2.762 20 5 FFBDRO O=C(NCCCCC[NH+]1CCCC1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000818342535 742265153 /nfs/dbraw/zinc/26/51/53/742265153.db2.gz AVAGZVMAUXFQMA-UHFFFAOYSA-N 1 0 363.443 2.595 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCc2csc(N3CCCC3)n2)c1 ZINC000819067690 742333094 /nfs/dbraw/zinc/33/30/94/742333094.db2.gz KXPBGUXKZGZSOG-MRXNPFEDSA-N 1 0 362.455 2.517 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCc2cccc(C(F)(F)F)n2)cc1 ZINC000819330378 742375863 /nfs/dbraw/zinc/37/58/63/742375863.db2.gz PIEIIZLENLRONG-AWEZNQCLSA-N 1 0 355.316 2.874 20 5 FFBDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)c3cc(Cl)c(F)c([N+](=O)[O-])c3N)C2)C1 ZINC000820610083 742524058 /nfs/dbraw/zinc/52/40/58/742524058.db2.gz VCEMGWRCNRTGEN-INIZCTEOSA-N 1 0 370.812 2.527 20 5 FFBDRO C[N@@H+]1CC[C@H]2CN(C(=O)CCc3c(Cl)cccc3[N+](=O)[O-])CC[C@H]21 ZINC000828509655 745077830 /nfs/dbraw/zinc/07/78/30/745077830.db2.gz FMOATODEBMSSTM-SWLSCSKDSA-N 1 0 351.834 2.733 20 5 FFBDRO C[C@H]1CN(CCO)CCN1c1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000829578192 745227709 /nfs/dbraw/zinc/22/77/09/745227709.db2.gz WPQWOKULKPDGSW-VIFPVBQESA-N 1 0 367.755 2.770 20 5 FFBDRO O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCC2(C1)CC[NH2+]CC2 ZINC000834445115 745839499 /nfs/dbraw/zinc/83/94/99/745839499.db2.gz LFKREFJYYRXKSJ-UHFFFAOYSA-N 1 0 357.332 2.829 20 5 FFBDRO COc1ccc(CC(=O)OC[C@@H]2CCCC[N@@H+]2C(C)C)cc1[N+](=O)[O-] ZINC000837499605 746461328 /nfs/dbraw/zinc/46/13/28/746461328.db2.gz LZQPTOMCUZVTPU-HNNXBMFYSA-N 1 0 350.415 2.952 20 5 FFBDRO CS[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2Br)C[C@@H]1[NH+](C)C ZINC000839532003 746848452 /nfs/dbraw/zinc/84/84/52/746848452.db2.gz PRQIIFREQLBEJY-QWHCGFSZSA-N 1 0 374.304 2.835 20 5 FFBDRO [NH3+][C@H]1CCO[C@H](C2CCN(Cc3cc(Cl)ccc3[N+](=O)[O-])CC2)C1 ZINC000841104780 747270957 /nfs/dbraw/zinc/27/09/57/747270957.db2.gz SHDANMZUPQLKCE-RDJZCZTQSA-N 1 0 353.850 2.967 20 5 FFBDRO CCNS(=O)(=O)c1cccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000842159942 747536214 /nfs/dbraw/zinc/53/62/14/747536214.db2.gz CVWRCKDXSNCEDV-CYBMUJFWSA-N 1 0 363.439 2.744 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2nc(CC3CC[NH2+]CC3)no2)c(Br)c1 ZINC000843134148 747779367 /nfs/dbraw/zinc/77/93/67/747779367.db2.gz XNFOZPIIDGPSOY-UHFFFAOYSA-N 1 0 367.203 2.949 20 5 FFBDRO CCC[NH2+][C@H](C)c1nc(Cc2cc(OC)cc(OC)c2[N+](=O)[O-])no1 ZINC000843226221 747794618 /nfs/dbraw/zinc/79/46/18/747794618.db2.gz WLGDXIMJNVBDPF-SNVBAGLBSA-N 1 0 350.375 2.646 20 5 FFBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000843452727 747838991 /nfs/dbraw/zinc/83/89/91/747838991.db2.gz XHCSAEJXKJZORF-IAQYHMDHSA-N 1 0 369.824 2.920 20 5 FFBDRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000846699052 748526135 /nfs/dbraw/zinc/52/61/35/748526135.db2.gz KNKIYRIWPPAYQZ-DAXOMENPSA-N 1 0 367.833 2.749 20 5 FFBDRO CN(C)C(=O)CCC[N@@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000846895577 748569249 /nfs/dbraw/zinc/56/92/49/748569249.db2.gz PJNRWMXFTCALTN-UHFFFAOYSA-N 1 0 370.247 2.584 20 5 FFBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000848510497 748946494 /nfs/dbraw/zinc/94/64/94/748946494.db2.gz TXEPIJRAFUUAEN-STQMWFEESA-N 1 0 373.862 2.543 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CC[S@](=O)CC(F)(F)F)CCC2 ZINC000850497556 749376054 /nfs/dbraw/zinc/37/60/54/749376054.db2.gz VIBHSLIYJMMYMC-ZLOXQWCVSA-N 1 0 350.362 2.873 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@]23OCCC[C@H]2C3(F)F)n1 ZINC000850532596 749382765 /nfs/dbraw/zinc/38/27/65/749382765.db2.gz MXFJQAFVRZBYGY-BHPKHCPMSA-N 1 0 356.373 2.679 20 5 FFBDRO Cc1cc(Cl)c(S(=O)(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)cc1[N+](=O)[O-] ZINC000850592515 749392888 /nfs/dbraw/zinc/39/28/88/749392888.db2.gz TYMXAXNZEXTBDD-NSHDSACASA-N 1 0 373.862 2.510 20 5 FFBDRO CC(C)[C@H]([NH3+])CCNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000850728884 749417910 /nfs/dbraw/zinc/41/79/10/749417910.db2.gz AWVOJDHVYACOFD-LLVKDONJSA-N 1 0 359.224 2.852 20 5 FFBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000852504180 749878793 /nfs/dbraw/zinc/87/87/93/749878793.db2.gz ZWIACRCYDZAEDH-RSQPEXBXSA-N 1 0 355.822 2.524 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2noc(NC3CC[NH+](C[C@H]4CCOC4)CC3)n2)cc1 ZINC000486954601 855706501 /nfs/dbraw/zinc/70/65/01/855706501.db2.gz COZMASLIIVOZGJ-CYBMUJFWSA-N 1 0 373.413 2.558 20 5 FFBDRO C[C@@H]1[C@H](C)OC[C@]12CC[C@@H](C[NH2+]Cc1nc3cc([N+](=O)[O-])ccc3o1)O2 ZINC000895818464 970982984 /nfs/dbraw/zinc/98/29/84/970982984.db2.gz DAYRZRNOAIFJCJ-BKTMZONDSA-N 1 0 361.398 2.798 20 5 FFBDRO COc1cc(C[NH2+]C2(c3cccc(-c4nn[nH]n4)c3)CC2)ccc1[N+](=O)[O-] ZINC000826179252 947553610 /nfs/dbraw/zinc/55/36/10/947553610.db2.gz GSQJRFPWPXZWSF-UHFFFAOYSA-N 1 0 366.381 2.562 20 5 FFBDRO C[C@H]1C[C@@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)C[N@@H+]1Cc1ccccc1 ZINC000134883641 960091870 /nfs/dbraw/zinc/09/18/70/960091870.db2.gz LOJGNWBUKQNTKH-MAUKXSAKSA-N 1 0 353.422 2.917 20 5 FFBDRO O=C(OCCn1ccc([N+](=O)[O-])n1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000748110564 960482341 /nfs/dbraw/zinc/48/23/41/960482341.db2.gz XHGVEYVWEZGZBE-UHFFFAOYSA-N 1 0 358.398 2.634 20 5 FFBDRO COc1cc(N(Cc2ccccc2)C2(C[NH3+])COC2)cc([N+](=O)[O-])c1C ZINC001167374517 962486701 /nfs/dbraw/zinc/48/67/01/962486701.db2.gz IXSAZZCYGVUUFM-UHFFFAOYSA-N 1 0 357.410 2.646 20 5 FFBDRO Cc1c(C[NH2+]C2CCN(C(=O)c3ccncc3)CC2)cccc1[N+](=O)[O-] ZINC000873017347 1013349740 /nfs/dbraw/zinc/34/97/40/1013349740.db2.gz ZKPHSNXSWINCDQ-UHFFFAOYSA-N 1 0 354.410 2.693 20 5 FFBDRO CC(C)N1CCc2nc(NC(=O)C=Cc3ccc([N+](=O)[O-])cc3)sc2C1 ZINC000023802653 963257510 /nfs/dbraw/zinc/25/75/10/963257510.db2.gz OPCDEDAWQMRZDR-YVMONPNESA-N 1 0 372.450 2.892 20 5 FFBDRO O=C(NCC1([NH2+]Cc2ccc(-c3ccsc3)cc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001269411833 964134628 /nfs/dbraw/zinc/13/46/28/964134628.db2.gz VFADVUJBIXHUQX-IAGOWNOFSA-N 1 0 371.462 2.819 20 5 FFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(CC[NH2+]Cc2ccccc2C2CC2)CC1 ZINC001269858726 964373279 /nfs/dbraw/zinc/37/32/79/964373279.db2.gz BTIHMUKPYZDVRC-WOJBJXKFSA-N 1 0 371.481 2.948 20 5 FFBDRO C[C@@H]1C[C@H](c2ccccc2)C(C)(C)[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001175651732 1013522808 /nfs/dbraw/zinc/52/28/08/1013522808.db2.gz OFKFNYPBORHODP-FHLIZLRMSA-N 1 0 358.442 2.809 20 5 FFBDRO CC[C@@H]1CCCN1C(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000934043615 965542086 /nfs/dbraw/zinc/54/20/86/965542086.db2.gz MCULXMRXQUCUTI-CQSZACIVSA-N 1 0 361.446 2.753 20 5 FFBDRO C[NH+](C)CC1CCC(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000129423260 966086682 /nfs/dbraw/zinc/08/66/82/966086682.db2.gz JZYQETABVQQDFP-UHFFFAOYSA-N 1 0 371.441 2.631 20 5 FFBDRO COc1c(O)ccc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000892235109 966349140 /nfs/dbraw/zinc/34/91/40/966349140.db2.gz KURCJILEVCUBLG-CZUORRHYSA-N 1 0 361.442 2.758 20 5 FFBDRO COc1cc(F)c([N+](=O)[O-])c(NCc2ccnc(OCC[NH+](C)C)c2)c1 ZINC000135391025 967627764 /nfs/dbraw/zinc/62/77/64/967627764.db2.gz LBHQMKVQLFTDMD-UHFFFAOYSA-N 1 0 364.377 2.690 20 5 FFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc2ccccc21 ZINC001029305034 967649718 /nfs/dbraw/zinc/64/97/18/967649718.db2.gz ROIBRRRHOYVKNH-PIKOESSRSA-N 1 0 365.433 2.680 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC001267590856 969689638 /nfs/dbraw/zinc/68/96/38/969689638.db2.gz LGSSUGDVDBNSHU-SCLBCKFNSA-N 1 0 354.410 2.549 20 5 FFBDRO C[C@H]1CC[C@H](Oc2ccc([N+](=O)[O-])c(I)c2)C[NH2+]1 ZINC001218398271 969989562 /nfs/dbraw/zinc/98/95/62/969989562.db2.gz KVEPWELXGNUNBL-WPRPVWTQSA-N 1 0 362.167 2.719 20 5 FFBDRO Cc1cc(N2CCC[C@@H](OC(=O)c3ccccc3[N+](=O)[O-])C2)nc(C)n1 ZINC000066730872 970099429 /nfs/dbraw/zinc/09/94/29/970099429.db2.gz ANKIFNZLCAMAGV-CQSZACIVSA-N 1 0 356.382 2.827 20 5 FFBDRO CCOC(=O)[C@@H]1CCCN(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000103457488 970403411 /nfs/dbraw/zinc/40/34/11/970403411.db2.gz DYUMLKFEODDUTQ-OAHLLOKOSA-N 1 0 358.398 2.691 20 5 FFBDRO Cc1ccc(C2=NO[C@@H](C[NH2+]C3CC(n4cc([N+](=O)[O-])cn4)C3)C2)cc1C ZINC000895503422 970674611 /nfs/dbraw/zinc/67/46/11/970674611.db2.gz VCYSHWWFUVAHIN-LEOMRAHMSA-N 1 0 369.425 2.894 20 5 FFBDRO C[N@H+](CCCCC(F)(F)F)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001267730470 970742190 /nfs/dbraw/zinc/74/21/90/970742190.db2.gz XJIWKRYWKMMGMS-ZIAGYGMSSA-N 1 0 365.396 2.555 20 5 FFBDRO C[C@@H](CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000897071532 973220218 /nfs/dbraw/zinc/22/02/18/973220218.db2.gz FJQAKFAVRIOBCQ-JKSUJKDBSA-N 1 0 360.458 2.968 20 5 FFBDRO CCOC(=O)Cc1ccc(N2CC[C@H](C)[C@H](n3ccnc3)C2)c([N+](=O)[O-])c1 ZINC000825832339 1014095127 /nfs/dbraw/zinc/09/51/27/1014095127.db2.gz ORJCXAYKSYHRCZ-KBXCAEBGSA-N 1 0 372.425 2.984 20 5 FFBDRO CC(C)c1ccccc1C[N@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985433163 974070162 /nfs/dbraw/zinc/07/01/62/974070162.db2.gz IVUAAJRIVZETMR-RTBURBONSA-N 1 0 359.470 2.898 20 5 FFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@H](c3ccco3)N3CCCCC3)C2)c1 ZINC000876891136 1014410363 /nfs/dbraw/zinc/41/03/63/1014410363.db2.gz QSVNSBAUYAEJBY-VMBOVVBDSA-N 1 0 359.430 2.905 20 5 FFBDRO COc1ccc([C@@H]2CN(C(=O)c3c(C)ccc([N+](=O)[O-])c3C)C[C@H]2[NH3+])cc1 ZINC000877238797 1014524560 /nfs/dbraw/zinc/52/45/60/1014524560.db2.gz HFDDPSNCGLRTQB-DLBZAZTESA-N 1 0 369.421 2.787 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000877560264 1014627853 /nfs/dbraw/zinc/62/78/53/1014627853.db2.gz LVMNUFIXXFGHEV-JKSUJKDBSA-N 1 0 353.422 2.993 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C[C@]1(c2ccccc2)CCCO1 ZINC000905620347 980473496 /nfs/dbraw/zinc/47/34/96/980473496.db2.gz AEPQUXDDKBRGJA-PXNSSMCTSA-N 1 0 372.421 2.630 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CC[C@@H]2OCCc3ccccc32)c1 ZINC000905627332 980475338 /nfs/dbraw/zinc/47/53/38/980475338.db2.gz YYPCPVQSSJQSLU-PXNSSMCTSA-N 1 0 372.421 2.628 20 5 FFBDRO C[N@H+](C[C@@H]1CC=CCC1)CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000784014745 980497777 /nfs/dbraw/zinc/49/77/77/980497777.db2.gz NSZWZVNQDJVIBY-CQSZACIVSA-N 1 0 358.398 2.609 20 5 FFBDRO COc1cc(CC[NH2+]C[C@H](O)c2cccc(C)c2)c([N+](=O)[O-])cc1OC ZINC000905891703 980534462 /nfs/dbraw/zinc/53/44/62/980534462.db2.gz KMRRPIJCBGEGPT-KRWDZBQOSA-N 1 0 360.410 2.786 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@H]3CCC34CCOCC4)CC2)cn1 ZINC000877729086 1014700403 /nfs/dbraw/zinc/70/04/03/1014700403.db2.gz XAHHMIULSMQWHO-OAHLLOKOSA-N 1 0 360.458 2.755 20 5 FFBDRO COC(=O)CCCN1CCC([NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000897466127 981132753 /nfs/dbraw/zinc/13/27/53/981132753.db2.gz OQLAMSBFKJFAQM-HNNXBMFYSA-N 1 0 363.458 2.706 20 5 FFBDRO COc1ccc(CN(C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1F ZINC000029065154 984091442 /nfs/dbraw/zinc/09/14/42/984091442.db2.gz DYLCRFLYTMKWMC-UHFFFAOYSA-N 1 0 361.373 2.837 20 5 FFBDRO COC(=O)Cc1ccc(N2C[C@@H](CC[NH3+])c3ccccc32)cc1[N+](=O)[O-] ZINC001168549374 985238824 /nfs/dbraw/zinc/23/88/24/985238824.db2.gz TZVYNSLZBDBJQX-CQSZACIVSA-N 1 0 355.394 2.894 20 5 FFBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878615870 1015133191 /nfs/dbraw/zinc/13/31/91/1015133191.db2.gz QVHWSUDSWOYAMJ-HIFRSBDPSA-N 1 0 357.414 2.703 20 5 FFBDRO C[N@@H+]1CCN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C[C@@H]1C(C)(C)C ZINC000878839159 1015244474 /nfs/dbraw/zinc/24/44/74/1015244474.db2.gz MXSOICGDTGUSJX-OAHLLOKOSA-N 1 0 359.430 2.807 20 5 FFBDRO Cc1cc(F)cc(C(=O)NCCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000151753877 986843898 /nfs/dbraw/zinc/84/38/98/986843898.db2.gz QQENBAVBCRWJEO-KBPBESRZSA-N 1 0 367.421 2.662 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000879057628 1015343760 /nfs/dbraw/zinc/34/37/60/1015343760.db2.gz RCRCHXKVLDIGFP-MRXNPFEDSA-N 1 0 357.414 2.525 20 5 FFBDRO COc1ccc(-c2ccc(C[NH2+]CCc3ccnn3C)o2)c([N+](=O)[O-])c1 ZINC000762555661 988471143 /nfs/dbraw/zinc/47/11/43/988471143.db2.gz GKRKCUDKUJCENG-UHFFFAOYSA-N 1 0 356.382 2.929 20 5 FFBDRO Cc1noc(C)c1CO[C@@H]1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000762638099 988543699 /nfs/dbraw/zinc/54/36/99/988543699.db2.gz AIQXIRNYLWIISA-AEFFLSMTSA-N 1 0 361.398 2.524 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000879228961 1015419921 /nfs/dbraw/zinc/41/99/21/1015419921.db2.gz PCCPTHCCVLBUNO-OAHLLOKOSA-N 1 0 362.430 2.668 20 5 FFBDRO COc1ccc(-c2ccc(C[NH2+]C[C@H]3C[C@@H]4COC[C@@H]4O3)o2)c([N+](=O)[O-])c1 ZINC000922726193 988846491 /nfs/dbraw/zinc/84/64/91/988846491.db2.gz SJZJKCJIDWHXQT-PEELUZDISA-N 1 0 374.393 2.757 20 5 FFBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000922860849 988964241 /nfs/dbraw/zinc/96/42/41/988964241.db2.gz PWNDTYJIJDPILP-UHFFFAOYSA-N 1 0 373.409 2.714 20 5 FFBDRO CCOc1ccc(C(=O)N2CC[C@@H](C)[C@@H](n3ccnc3)C2)cc1[N+](=O)[O-] ZINC000126338542 989092228 /nfs/dbraw/zinc/09/22/28/989092228.db2.gz VAPFHNWTRRKOAS-CJNGLKHVSA-N 1 0 358.398 2.913 20 5 FFBDRO Cc1cncn1CC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC001128617293 989550707 /nfs/dbraw/zinc/55/07/07/989550707.db2.gz UMBVMFNQPFYKIR-UHFFFAOYSA-N 1 0 353.176 2.809 20 5 FFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(CC[N@H+](CC3CC4(CCC4)C3)C2)CC1 ZINC001035186932 990410228 /nfs/dbraw/zinc/41/02/28/990410228.db2.gz LYRGUJFYGCSMKT-IAGOWNOFSA-N 1 0 361.486 2.546 20 5 FFBDRO COc1cccc(C(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1[N+](=O)[O-] ZINC000194844390 990591255 /nfs/dbraw/zinc/59/12/55/990591255.db2.gz FODHMQFWOKRBOQ-KGLIPLIRSA-N 1 0 361.442 2.986 20 5 FFBDRO CCC(CC)[N@H+](CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC000920409483 990845018 /nfs/dbraw/zinc/84/50/18/990845018.db2.gz CALGVXPDBRYOQR-UHFFFAOYSA-N 1 0 374.485 2.896 20 5 FFBDRO O=C(NCC1C[NH+](Cc2ccc(C3CCCCC3)cc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001031660947 990850776 /nfs/dbraw/zinc/85/07/76/990850776.db2.gz XZARWGIHRFOCCW-WOJBJXKFSA-N 1 0 371.481 2.948 20 5 FFBDRO O=C(C[NH2+]C1([C@@H]2CCCCO2)CCC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000879735446 1015659029 /nfs/dbraw/zinc/65/90/29/1015659029.db2.gz WNNGUFCKCFXMGF-KRWDZBQOSA-N 1 0 359.426 2.565 20 5 FFBDRO CCCN(CC[NH+](CC)CC)C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000763768904 993187541 /nfs/dbraw/zinc/18/75/41/993187541.db2.gz WCACXXPKXNHEKG-UHFFFAOYSA-N 1 0 361.446 2.525 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)OCCCN2CC[NH+](C(C)C)CC2)c1F ZINC000803458187 1015877804 /nfs/dbraw/zinc/87/78/04/1015877804.db2.gz HQMFOZAQMBBISG-UHFFFAOYSA-N 1 0 367.421 2.615 20 5 FFBDRO Nc1ccc(NC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)cc1[N+](=O)[O-] ZINC000823967226 996769972 /nfs/dbraw/zinc/76/99/72/996769972.db2.gz AKOGOICGSHZUOG-UHFFFAOYSA-N 1 0 370.413 2.610 20 5 FFBDRO CC[N@H+](C)Cc1cccc(CNC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000823998061 996774544 /nfs/dbraw/zinc/77/45/44/996774544.db2.gz KIPHSSUWFCEJGY-UHFFFAOYSA-N 1 0 357.414 2.950 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)Nc1cc(N2CC[NH+](C)CC2)ccn1 ZINC000825265990 997287409 /nfs/dbraw/zinc/28/74/09/997287409.db2.gz AHEGGLSCPIXFQT-UHFFFAOYSA-N 1 0 369.425 2.611 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])ncc1-n1c2ccccc2c2c1C[C@H]([NH3+])CC2 ZINC001171101200 997644054 /nfs/dbraw/zinc/64/40/54/997644054.db2.gz XTQUSMFMEPNQKM-LLVKDONJSA-N 1 0 366.377 2.536 20 5 FFBDRO C[N@@H+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C(C)(C)C ZINC001144024570 997944254 /nfs/dbraw/zinc/94/42/54/997944254.db2.gz MBALMKPPVICTEP-HNNXBMFYSA-N 1 0 353.850 2.979 20 5 FFBDRO C[N@@H+]1CCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C[C@H]1C(C)(C)C ZINC001144023931 997945198 /nfs/dbraw/zinc/94/51/98/997945198.db2.gz CZCXGJAVMMGTCL-KRWDZBQOSA-N 1 0 371.441 2.583 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@@H]1COC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000845727351 998639711 /nfs/dbraw/zinc/63/97/11/998639711.db2.gz BJMWGHRZLSVBPG-CQSZACIVSA-N 1 0 358.398 2.810 20 5 FFBDRO O=C(NC1(C2CC[NH+](CC3CC4(CCC4)C3)CC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001000152260 1016247731 /nfs/dbraw/zinc/24/77/31/1016247731.db2.gz CFOTWPUWNYNUAG-IAGOWNOFSA-N 1 0 361.486 2.593 20 5 FFBDRO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000733158792 998900935 /nfs/dbraw/zinc/90/09/35/998900935.db2.gz QYZBONUGWKJYDT-INIZCTEOSA-N 1 0 373.409 2.714 20 5 FFBDRO Cc1c(C(=O)NC[C@@H](CC(C)C)[NH+](C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000733973906 999162401 /nfs/dbraw/zinc/16/24/01/999162401.db2.gz YRPOXFOYSIKYHQ-CYBMUJFWSA-N 1 0 366.418 2.826 20 5 FFBDRO C[C@@H]1CCCCC[N@@H+]1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000734001238 999170306 /nfs/dbraw/zinc/17/03/06/999170306.db2.gz NYBCGDBOIHHITA-MRXNPFEDSA-N 1 0 360.458 2.508 20 5 FFBDRO CC[C@@H]1CCC[N@H+](CN2C(=O)N[C@@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)CC1 ZINC000738252816 999623382 /nfs/dbraw/zinc/62/33/82/999623382.db2.gz CANVAJFKXRALLR-KUHUBIRLSA-N 1 0 374.441 2.831 20 5 FFBDRO CN(CCCC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000740710154 999679282 /nfs/dbraw/zinc/67/92/82/999679282.db2.gz DEYUVXDHFHFJLX-UHFFFAOYSA-N 1 0 362.474 2.999 20 5 FFBDRO C[NH+](C)C1(CNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)Cc2ccccc2C1 ZINC000741602654 999733738 /nfs/dbraw/zinc/73/37/38/999733738.db2.gz HNFUQKVLXGJQRL-XFXZXTDPSA-N 1 0 365.433 2.823 20 5 FFBDRO COc1ccc(OCCOC(=O)[C@@H](C(C)C)[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000745089769 999891571 /nfs/dbraw/zinc/89/15/71/999891571.db2.gz TUUMZLYCHLDQIR-QGZVFWFLSA-N 1 0 366.414 2.646 20 5 FFBDRO CC(C)(C)OC(=O)c1ccc(-n2cc3c(n2)CC[C@H]([NH3+])C3)cc1[N+](=O)[O-] ZINC001168822406 999999651 /nfs/dbraw/zinc/99/96/51/999999651.db2.gz VZECODBZFXJOLM-LBPRGKRZSA-N 1 0 358.398 2.552 20 5 FFBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2ccc(OC3CCOCC3)c(F)c2)C1 ZINC001168984459 1000012413 /nfs/dbraw/zinc/01/24/13/1000012413.db2.gz OGNKLDPONJQQIG-GJZGRUSLSA-N 1 0 352.406 2.919 20 5 FFBDRO COCCN(C)[C@H](C[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccc(Cl)cc1 ZINC001169008709 1000015037 /nfs/dbraw/zinc/01/50/37/1000015037.db2.gz UGBZKLHGKUJBRN-FHLIZLRMSA-N 1 0 369.893 2.994 20 5 FFBDRO CC(C)(C)OC(=O)Nc1ccc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)cn1 ZINC001168986976 1000015938 /nfs/dbraw/zinc/01/59/38/1000015938.db2.gz GSRSVZVUBMLKLE-OCCSQVGLSA-N 1 0 350.419 2.964 20 5 FFBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2CCC[C@@]3(C[C@@H](Oc4ccccn4)CO3)C2)C1 ZINC001169030391 1000016087 /nfs/dbraw/zinc/01/60/87/1000016087.db2.gz ZKMNCYJJLSMMCP-DODZYUBVSA-N 1 0 361.442 2.529 20 5 FFBDRO Cc1cnc(C[NH3+])n1-c1cc([N+](=O)[O-])cc2cc(Br)cnc21 ZINC001169029495 1000016167 /nfs/dbraw/zinc/01/61/67/1000016167.db2.gz SFWRECMDWRYUJG-UHFFFAOYSA-N 1 0 362.187 2.858 20 5 FFBDRO CC(C)(C)OC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169036852 1000016678 /nfs/dbraw/zinc/01/66/78/1000016678.db2.gz QIJDEHQFRWOMBH-GVRJEKJASA-N 1 0 353.463 2.952 20 5 FFBDRO O=C(c1ccccc1Cl)N1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169037778 1000016718 /nfs/dbraw/zinc/01/67/18/1000016718.db2.gz UGAAPDJZAMLZOJ-KBPBESRZSA-N 1 0 351.834 2.543 20 5 FFBDRO Cc1ccc(N2C[C@]3(CC[N@@H+]([C@H]4CC[C@H](C[N+](=O)[O-])C4)C3)CC2=O)s1 ZINC001169020114 1000017680 /nfs/dbraw/zinc/01/76/80/1000017680.db2.gz IHYJSKMSQPNCNN-RLFYNMQTSA-N 1 0 363.483 2.931 20 5 FFBDRO CN1C(=O)C2(CC[NH+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)[C@H]1c1ccccc1 ZINC001169024855 1000018221 /nfs/dbraw/zinc/01/82/21/1000018221.db2.gz RPOPRYRKWHGSKR-KBAYOESNSA-N 1 0 357.454 2.727 20 5 FFBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCC[C@H](Oc3cc(C(F)(F)F)ncn3)C2)C1 ZINC001169053585 1000018960 /nfs/dbraw/zinc/01/89/60/1000018960.db2.gz JCZJIHQAQVXYIL-AGIUHOORSA-N 1 0 374.363 2.784 20 5 FFBDRO CNc1cc([N+](=O)[O-])cnc1-n1c(C)c(CC[NH3+])c2cc(OC)ccc21 ZINC001169175429 1000030931 /nfs/dbraw/zinc/03/09/31/1000030931.db2.gz MDFZVEWRIDBUIO-UHFFFAOYSA-N 1 0 355.398 2.794 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)c(F)cnc2NCc1ncn2c1C[NH2+]CCC2 ZINC001169241419 1000034209 /nfs/dbraw/zinc/03/42/09/1000034209.db2.gz SYJCYLDOIFKJOG-UHFFFAOYSA-N 1 0 356.361 2.584 20 5 FFBDRO CCOC(=O)C1(Nc2ccc3cc([N+](=O)[O-])ccc3n2)CC[NH+](C)CC1 ZINC001169490026 1000055386 /nfs/dbraw/zinc/05/53/86/1000055386.db2.gz BFYSYPJWLBLRBG-UHFFFAOYSA-N 1 0 358.398 2.582 20 5 FFBDRO [NH3+]CCc1cn(-c2cnc([N+](=O)[O-])cn2)c2cc(OC(F)(F)F)ccc12 ZINC001169608693 1000062060 /nfs/dbraw/zinc/06/20/60/1000062060.db2.gz LBYUGIUBEXCHPW-UHFFFAOYSA-N 1 0 367.287 2.729 20 5 FFBDRO C[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000774356200 1001890348 /nfs/dbraw/zinc/89/03/48/1001890348.db2.gz OBGCHCKTJPWMIA-RDBSUJKOSA-N 1 0 367.450 2.778 20 5 FFBDRO [NH2+]=C(COc1cccc(F)c1)NOCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000789590025 1002127911 /nfs/dbraw/zinc/12/79/11/1002127911.db2.gz GDKYZWUWHPIDTM-UHFFFAOYSA-N 1 0 364.289 2.720 20 5 FFBDRO COc1c(O)ccc(C[NH2+][C@H]2C[C@@H](C(=O)OC(C)(C)C)C2)c1[N+](=O)[O-] ZINC001183371963 1002260661 /nfs/dbraw/zinc/26/06/61/1002260661.db2.gz WJWDFGCOXJXLFQ-TXEJJXNPSA-N 1 0 352.387 2.519 20 5 FFBDRO COc1ccc(C[C@H](C)[NH2+][C@@H]2CCc3[nH]c(=O)ccc3C2)c([N+](=O)[O-])c1 ZINC001170295173 1003088105 /nfs/dbraw/zinc/08/81/05/1003088105.db2.gz AGDYPQCTBGKIHR-SWLSCSKDSA-N 1 0 357.410 2.782 20 5 FFBDRO COc1cccc([C@@H](CO)[NH2+][C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])c1 ZINC001170305583 1003093912 /nfs/dbraw/zinc/09/39/12/1003093912.db2.gz NKMTVICEEKFQHI-SCLBCKFNSA-N 1 0 360.410 2.866 20 5 FFBDRO COc1ccc(C[C@@H](C)[NH2+]CCn2nnc3ccccc32)c([N+](=O)[O-])c1 ZINC001170305575 1003094255 /nfs/dbraw/zinc/09/42/55/1003094255.db2.gz NJKCEWACZROSOD-CYBMUJFWSA-N 1 0 355.398 2.569 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(OC(C)C)cc1NC[C@H]1O[C@@H](C(C)C)O[C@@H]1C[NH3+] ZINC001170279904 1003097764 /nfs/dbraw/zinc/09/77/64/1003097764.db2.gz OZRPAOOSVUVLEP-KURKYZTESA-N 1 0 367.446 2.827 20 5 FFBDRO COc1ccc(C[C@H](C)[NH2+]C[C@H](CO)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC001170313285 1003104186 /nfs/dbraw/zinc/10/41/86/1003104186.db2.gz KOOOKCPTABINRW-DOTOQJQBSA-N 1 0 358.438 2.975 20 5 FFBDRO COc1ccc(C[C@H](C)[NH2+][C@H]2CCN(Cc3ccncc3)C2)c([N+](=O)[O-])c1 ZINC001170317923 1003108583 /nfs/dbraw/zinc/10/85/83/1003108583.db2.gz MFNAAONBSQEKFS-YJBOKZPZSA-N 1 0 370.453 2.794 20 5 FFBDRO COC(=O)c1cncc(C[NH2+][C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])c1 ZINC001170318339 1003108744 /nfs/dbraw/zinc/10/87/44/1003108744.db2.gz PEDCUOUSBCHXBK-LBPRGKRZSA-N 1 0 359.382 2.506 20 5 FFBDRO COc1ccc(C[C@H](C)[NH2+]Cc2ccnc(OCC3CC3)n2)c([N+](=O)[O-])c1 ZINC001170324162 1003112268 /nfs/dbraw/zinc/11/22/68/1003112268.db2.gz PHPAPWGSNXETAK-ZDUSSCGKSA-N 1 0 372.425 2.903 20 5 FFBDRO COC(=O)[C@H]1CCCC[C@@H]1[NH2+][C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170329280 1003114469 /nfs/dbraw/zinc/11/44/69/1003114469.db2.gz YZBOPZMIKZHEHK-RCBQFDQVSA-N 1 0 350.415 2.856 20 5 FFBDRO COc1ccc(C[C@@H](C)[N@H+](C)CCNC(=O)OC(C)(C)C)c([N+](=O)[O-])c1 ZINC001170329754 1003115798 /nfs/dbraw/zinc/11/57/98/1003115798.db2.gz TWBJSLPLYGXOLT-CYBMUJFWSA-N 1 0 367.446 2.991 20 5 FFBDRO COc1ccc(C[C@@H](C)[NH+]2CCC(O)(C(F)(F)F)CC2)c([N+](=O)[O-])c1 ZINC001170330360 1003116215 /nfs/dbraw/zinc/11/62/15/1003116215.db2.gz ZYUJGBYSCMEZIJ-LLVKDONJSA-N 1 0 362.348 2.924 20 5 FFBDRO COC(=O)[C@H]1CC[C@H]([NH2+][C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC001170309337 1003119753 /nfs/dbraw/zinc/11/97/53/1003119753.db2.gz QDGNJYMZIDJUPU-YDHLFZDLSA-N 1 0 350.415 2.856 20 5 FFBDRO COc1ccc(C[C@@H](C)[N@@H+]2CCC[C@@]3(CCCC(=O)N3)C2)c([N+](=O)[O-])c1 ZINC001170341084 1003130265 /nfs/dbraw/zinc/13/02/65/1003130265.db2.gz NEEDQVBKEIKCFU-KUHUBIRLSA-N 1 0 361.442 2.669 20 5 FFBDRO COC(=O)[C@H](Cc1ccccc1)[C@@H](C)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000792931977 1003239358 /nfs/dbraw/zinc/23/93/58/1003239358.db2.gz BJKAXMWUHTZPAY-ZMYBRWDISA-N 1 0 372.421 2.638 20 5 FFBDRO O=C(O[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)c1ccc2c[nH+]cn2c1 ZINC000793171397 1003299946 /nfs/dbraw/zinc/29/99/46/1003299946.db2.gz FQUROFSEFWQYAK-GJZGRUSLSA-N 1 0 355.354 2.780 20 5 FFBDRO Cc1nn(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000772829087 1003311146 /nfs/dbraw/zinc/31/11/46/1003311146.db2.gz RESIOOOLWSYLKI-KBXCAEBGSA-N 1 0 370.457 2.554 20 5 FFBDRO C[C@H]([NH2+][C@H]1CCCn2nccc21)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC001197240053 1004136232 /nfs/dbraw/zinc/13/62/32/1004136232.db2.gz SCTVFHDVFXMVSP-HZMBPMFUSA-N 1 0 363.805 2.896 20 5 FFBDRO O=C(O[C@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1)C1CC[NH+](C2CC2)CC1 ZINC000805923520 1004189988 /nfs/dbraw/zinc/18/99/88/1004189988.db2.gz KTPUTYJEOBALEH-SFHVURJKSA-N 1 0 359.426 2.591 20 5 FFBDRO CC(C)C[C@@H]1C[N@H+](CCCc2ccccc2)CCN1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001273755525 1004415401 /nfs/dbraw/zinc/41/54/01/1004415401.db2.gz FRWJMNBUOYJFKA-VAMGGRTRSA-N 1 0 373.497 2.843 20 5 FFBDRO COCC[C@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1C)NC(=O)OC(C)(C)C ZINC001201989538 1005297660 /nfs/dbraw/zinc/29/76/60/1005297660.db2.gz PIRDYLDIUXZVDO-OAHLLOKOSA-N 1 0 367.446 2.923 20 5 FFBDRO CCc1ccccc1C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001050326286 1016971602 /nfs/dbraw/zinc/97/16/02/1016971602.db2.gz VZITWRRHYISCSY-UTRMSSBJSA-N 1 0 359.470 2.679 20 5 FFBDRO COc1ccc(C[NH2+]Cc2ccc(N3CCCNC3=O)cc2)cc1[N+](=O)[O-] ZINC000850413779 1005814133 /nfs/dbraw/zinc/81/41/33/1005814133.db2.gz PQAUTJAVUAHQFK-UHFFFAOYSA-N 1 0 370.409 2.813 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H](O)COc1cccc(F)c1 ZINC000850427578 1005814928 /nfs/dbraw/zinc/81/49/28/1005814928.db2.gz WMFBGVHVOKFJIB-IUODEOHRSA-N 1 0 364.373 2.833 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCNC(=O)c1ccc(F)cc1 ZINC000850426866 1005814940 /nfs/dbraw/zinc/81/49/40/1005814940.db2.gz GGNMTVWWBXJQKF-LBPRGKRZSA-N 1 0 361.373 2.823 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](CO)C[C@H](O)c1ccccc1 ZINC000850448832 1005816313 /nfs/dbraw/zinc/81/63/13/1005816313.db2.gz VMIMYVZGOUXXOD-YEWWUXTCSA-N 1 0 360.410 2.739 20 5 FFBDRO COc1cccc([C@H]2CN(C[C@H](O)c3ccc([N+](=O)[O-])cc3)CCO2)c1 ZINC000776586206 1005972049 /nfs/dbraw/zinc/97/20/49/1005972049.db2.gz KPXASTQDKDNMCR-RBUKOAKNSA-N 1 0 358.394 2.710 20 5 FFBDRO CN(C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000776592652 1006009962 /nfs/dbraw/zinc/00/99/62/1006009962.db2.gz WWXJIJYCXOXDBF-UXHICEINSA-N 1 0 355.438 2.835 20 5 FFBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000881479277 1006122981 /nfs/dbraw/zinc/12/29/81/1006122981.db2.gz UAPLDPXCZXEBET-DUVHGLKDSA-N 1 0 373.453 2.758 20 5 FFBDRO C[C@@H]1CN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CCN1c1cc[nH+]cc1 ZINC000881636133 1006166494 /nfs/dbraw/zinc/16/64/94/1006166494.db2.gz PLSFJHCYTLYNGT-CYBMUJFWSA-N 1 0 365.393 2.822 20 5 FFBDRO Cc1ccc(CCC[NH+]2CCC3(CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)CC2)cc1 ZINC001050517421 1017034704 /nfs/dbraw/zinc/03/47/04/1017034704.db2.gz SXCMCUBUQJDVJO-RTBURBONSA-N 1 0 371.481 2.517 20 5 FFBDRO O=c1[nH]ccc(N2CC[NH+](Cc3cccc4cccnc43)CC2)c1[N+](=O)[O-] ZINC000853126153 1006307243 /nfs/dbraw/zinc/30/72/43/1006307243.db2.gz CHDZSDYCUUAJGU-UHFFFAOYSA-N 1 0 365.393 2.566 20 5 FFBDRO Cn1c(C(=O)O[C@H](C[NH+](C)C)c2cc(F)c(F)c(F)c2)ccc1[N+](=O)[O-] ZINC000853210795 1006331725 /nfs/dbraw/zinc/33/17/25/1006331725.db2.gz GOXCQDKTEYBNEZ-CYBMUJFWSA-N 1 0 371.315 2.810 20 5 FFBDRO O=[N+]([O-])c1c[nH]c2ncnc(N[C@@H](Cc3ccccc3)C[NH+]3CCCC3)c12 ZINC001170753212 1006352053 /nfs/dbraw/zinc/35/20/53/1006352053.db2.gz AKBKVCRAAFSKPJ-HNNXBMFYSA-N 1 0 366.425 2.985 20 5 FFBDRO O=[N+]([O-])c1cc(CO)c(N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccccc2)cc1F ZINC000882685336 1006471946 /nfs/dbraw/zinc/47/19/46/1006471946.db2.gz LJNNBJQBTIWDDZ-HOTGVXAUSA-N 1 0 357.385 2.689 20 5 FFBDRO C[C@H]1CN(c2ncnc3cccc([N+](=O)[O-])c32)CCN1c1cc[nH+]cc1 ZINC000882821242 1006518977 /nfs/dbraw/zinc/51/89/77/1006518977.db2.gz PFTFCPIAVKNRSA-ZDUSSCGKSA-N 1 0 350.382 2.648 20 5 FFBDRO O=[N+]([O-])c1ccc(NCC2CC[NH+](Cc3ccncc3)CC2)c2nonc21 ZINC000853810909 1006542404 /nfs/dbraw/zinc/54/24/04/1006542404.db2.gz MUEMWQXUARLLAO-UHFFFAOYSA-N 1 0 368.397 2.850 20 5 FFBDRO C[C@H](NC(=O)N1CCN(c2cc[nH+]cc2)[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000883153930 1006674427 /nfs/dbraw/zinc/67/44/27/1006674427.db2.gz SJHSLTZRIUASIY-CABCVRRESA-N 1 0 369.425 2.971 20 5 FFBDRO COc1cc(Cc2noc(C[C@@H]3[NH2+]Cc4ccccc43)n2)ccc1[N+](=O)[O-] ZINC000854142625 1006704133 /nfs/dbraw/zinc/70/41/33/1006704133.db2.gz UPZUGVNGERRWIS-HNNXBMFYSA-N 1 0 366.377 2.964 20 5 FFBDRO Cc1cc(Cc2noc(-c3cc(C4CC[NH2+]CC4)no3)n2)ccc1[N+](=O)[O-] ZINC000854142644 1006704304 /nfs/dbraw/zinc/70/43/04/1006704304.db2.gz VKGKIAFDRPCDRO-UHFFFAOYSA-N 1 0 369.381 2.999 20 5 FFBDRO Cc1nc([N+](=O)[O-])c(-c2noc(-c3ccc4c(c3)[C@H](C[NH3+])CCC4)n2)n1C ZINC000854153000 1006709183 /nfs/dbraw/zinc/70/91/83/1006709183.db2.gz BFIPIKVZWZVQOD-ZDUSSCGKSA-N 1 0 368.397 2.732 20 5 FFBDRO O=C(Nc1cccc([N+](=O)[O-])c1)[C@]1(O)CCC[N@H+](Cc2ccccc2)C1 ZINC001135504711 1006982261 /nfs/dbraw/zinc/98/22/61/1006982261.db2.gz QQLKHHDBBSJTOW-IBGZPJMESA-N 1 0 355.394 2.560 20 5 FFBDRO O=C1N(C[N@@H+]2CCC[C@@H]2C2CCOCC2)CCN1c1ccccc1[N+](=O)[O-] ZINC000776768839 1007059461 /nfs/dbraw/zinc/05/94/61/1007059461.db2.gz NWOXVJUMCMEHMB-MRXNPFEDSA-N 1 0 374.441 2.685 20 5 FFBDRO O=[N+]([O-])c1cn(C[N@@H+]2CCC[C@@H]2C2CCOCC2)nc1-c1ccncc1 ZINC000776769745 1007059836 /nfs/dbraw/zinc/05/98/36/1007059836.db2.gz HREKCMHVWDZTGZ-MRXNPFEDSA-N 1 0 357.414 2.702 20 5 FFBDRO Cn1cc(C(=O)OCCC[NH+]2CCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000800145857 1007182565 /nfs/dbraw/zinc/18/25/65/1007182565.db2.gz IVQQBVFZIVQJIY-UHFFFAOYSA-N 1 0 358.398 2.638 20 5 FFBDRO COc1ccc(NC(=O)[C@H]([NH3+])Cc2c[nH]c3ccccc23)cc1[N+](=O)[O-] ZINC000884306542 1007365116 /nfs/dbraw/zinc/36/51/16/1007365116.db2.gz HHDTUPFJLYMDQF-CQSZACIVSA-N 1 0 354.366 2.593 20 5 FFBDRO CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)c1cc(F)cc2c1[nH]c1ccc(F)cc1c2=O ZINC000884360978 1007394071 /nfs/dbraw/zinc/39/40/71/1007394071.db2.gz JTNMPJQWXGFLIZ-CVEARBPZSA-N 1 0 371.387 2.815 20 5 FFBDRO CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000776821028 1007431651 /nfs/dbraw/zinc/43/16/51/1007431651.db2.gz CCPNLKYTCOIVGS-KGLIPLIRSA-N 1 0 365.430 2.950 20 5 FFBDRO CN(CC[NH+]1CC2(C1)CCOCC2)c1ncc([N+](=O)[O-])c2ccccc21 ZINC000884574623 1007481800 /nfs/dbraw/zinc/48/18/00/1007481800.db2.gz PLPJGZZGVXXRPP-UHFFFAOYSA-N 1 0 356.426 2.692 20 5 FFBDRO CCOC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000776830039 1007542973 /nfs/dbraw/zinc/54/29/73/1007542973.db2.gz YUOJRYSVDVBFOB-DZGCQCFKSA-N 1 0 365.430 2.950 20 5 FFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@@H](O)CN(C)C(=O)OC(C)(C)C ZINC000818165189 1007874921 /nfs/dbraw/zinc/87/49/21/1007874921.db2.gz QITKQRYFMXIDFF-CZUORRHYSA-N 1 0 367.446 2.815 20 5 FFBDRO Cc1c(C(=O)N2CC[NH2+]C[C@@H]2c2ccccc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000818612166 1007951734 /nfs/dbraw/zinc/95/17/34/1007951734.db2.gz OJBCEALNRDICTQ-QGZVFWFLSA-N 1 0 370.365 2.598 20 5 FFBDRO Cn1nccc1[C@@H](O)C1CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000856801315 1007980007 /nfs/dbraw/zinc/98/00/07/1007980007.db2.gz NWGYENJIEUPAJH-IBGZPJMESA-N 1 0 374.441 2.543 20 5 FFBDRO CCn1c(CC[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)nc2ccccc21 ZINC000818983706 1007999648 /nfs/dbraw/zinc/99/96/48/1007999648.db2.gz NODQECBGNXYCCA-SFHVURJKSA-N 1 0 354.410 2.830 20 5 FFBDRO COc1cccc(N2CC[C@H](C[NH2+]C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)c1 ZINC000819002077 1008005107 /nfs/dbraw/zinc/00/51/07/1008005107.db2.gz IIEDIIAGKZQWGM-QRWLVFNGSA-N 1 0 371.437 2.753 20 5 FFBDRO O=C(CCC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)N1Cc2ccccc2C1 ZINC000819052957 1008019238 /nfs/dbraw/zinc/01/92/38/1008019238.db2.gz GUXCWDCLVXAVEI-LJQANCHMSA-N 1 0 369.421 2.540 20 5 FFBDRO CC(C)(C)OC(=O)N[C@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000819198288 1008065325 /nfs/dbraw/zinc/06/53/25/1008065325.db2.gz QOMTXKPZJCRKIN-CVEARBPZSA-N 1 0 365.430 2.521 20 5 FFBDRO O=C1[C@@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCCN1C1CCCCC1 ZINC000819254863 1008071819 /nfs/dbraw/zinc/07/18/19/1008071819.db2.gz TZMRERJTJRIEJX-ZWKOTPCHSA-N 1 0 361.442 2.542 20 5 FFBDRO Cc1ccc(C2=NO[C@@H](C[NH2+]C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000819292640 1008085165 /nfs/dbraw/zinc/08/51/65/1008085165.db2.gz VDHZROGBVIKMKA-MJGOQNOKSA-N 1 0 355.394 2.719 20 5 FFBDRO CN(C)C(=O)Nc1ccc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000819278786 1008098409 /nfs/dbraw/zinc/09/84/09/1008098409.db2.gz IGWBTJYHGGYROS-KRWDZBQOSA-N 1 0 358.398 2.512 20 5 FFBDRO C[NH+](C)[C@H]1CCc2ccccc2N(C(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000857932601 1008250701 /nfs/dbraw/zinc/25/07/01/1008250701.db2.gz UVCOASQEWFTCSP-KRWDZBQOSA-N 1 0 369.421 2.883 20 5 FFBDRO CON(C)C(=O)[C@H](C)[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000858318329 1008345454 /nfs/dbraw/zinc/34/54/54/1008345454.db2.gz IECXPVHXKHCRCA-AWEZNQCLSA-N 1 0 372.425 2.861 20 5 FFBDRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000859222808 1008489575 /nfs/dbraw/zinc/48/95/75/1008489575.db2.gz MZHDIKIADOQORM-KRWDZBQOSA-N 1 0 371.437 2.931 20 5 FFBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@@H]3CCOC4(CCOCC4)C3)c2c1 ZINC000886118686 1008570419 /nfs/dbraw/zinc/57/04/19/1008570419.db2.gz NPDORZZIHAAFEV-OAHLLOKOSA-N 1 0 359.426 2.936 20 5 FFBDRO Nc1c(Cl)cc(C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC001136579635 1008602163 /nfs/dbraw/zinc/60/21/63/1008602163.db2.gz ZPRRUOQWAACMSS-ZDUSSCGKSA-N 1 0 366.849 2.921 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000822507476 1008657602 /nfs/dbraw/zinc/65/76/02/1008657602.db2.gz XEYNOMPRBQWANP-CQSZACIVSA-N 1 0 361.442 2.537 20 5 FFBDRO COc1cc(C[NH2+]CCCN(C)C(=O)OC(C)(C)C)c([N+](=O)[O-])cc1O ZINC001177718599 1008726503 /nfs/dbraw/zinc/72/65/03/1008726503.db2.gz DIHNQLMEIVBAMC-UHFFFAOYSA-N 1 0 369.418 2.656 20 5 FFBDRO Cc1noc(CN2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000886647778 1008792420 /nfs/dbraw/zinc/79/24/20/1008792420.db2.gz BTFGXQIUOWGIPA-DLBZAZTESA-N 1 0 356.426 2.845 20 5 FFBDRO CC[NH+](CC)[C@H](CNC(=O)c1cc(C)cc([N+](=O)[O-])c1N)CC(C)C ZINC001136649476 1008837864 /nfs/dbraw/zinc/83/78/64/1008837864.db2.gz UOUAAQBUMFIWBW-AWEZNQCLSA-N 1 0 350.463 2.972 20 5 FFBDRO O=C(NCCCCCC[NH2+]Cc1ccc(F)c(Cl)c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001178458470 1008995428 /nfs/dbraw/zinc/99/54/28/1008995428.db2.gz IMPLVRPUBXIRAT-CZUORRHYSA-N 1 0 371.840 2.911 20 5 FFBDRO O=C(NCCCCCC[NH2+]Cc1ccc(Cl)c(F)c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001178458424 1008995556 /nfs/dbraw/zinc/99/55/56/1008995556.db2.gz GURAEZZPAYEOHR-CZUORRHYSA-N 1 0 371.840 2.911 20 5 FFBDRO O=C(NCCCCCC[NH2+]Cc1cccc(F)c1Cl)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001178463706 1008996126 /nfs/dbraw/zinc/99/61/26/1008996126.db2.gz IYTLMMVULRVVIZ-UKRRQHHQSA-N 1 0 371.840 2.911 20 5 FFBDRO C[C@H]1CN(c2cc[nH+]cc2)CCN1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000887133177 1009044970 /nfs/dbraw/zinc/04/49/70/1009044970.db2.gz VSBZVKRCZHIHCI-ZDUSSCGKSA-N 1 0 353.382 2.842 20 5 FFBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887133314 1009045479 /nfs/dbraw/zinc/04/54/79/1009045479.db2.gz YNCVHUTUOFKZGX-CABCVRRESA-N 1 0 369.425 2.528 20 5 FFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cc(=O)n2ccccc2n1 ZINC001179060516 1009237444 /nfs/dbraw/zinc/23/74/44/1009237444.db2.gz QIJJFQCHODUYEK-NTEUORMPSA-N 1 0 350.378 2.796 20 5 FFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823962323 1009281081 /nfs/dbraw/zinc/28/10/81/1009281081.db2.gz RLVWQKSMMFTGQX-CXAGYDPISA-N 1 0 369.425 2.819 20 5 FFBDRO Nc1ccc(NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000824008196 1009292302 /nfs/dbraw/zinc/29/23/02/1009292302.db2.gz HSISOIMFJXZHAV-UHFFFAOYSA-N 1 0 369.425 2.963 20 5 FFBDRO Nc1ccc(NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000824008064 1009293309 /nfs/dbraw/zinc/29/33/09/1009293309.db2.gz CXLGBOGGTHPUFA-HNNXBMFYSA-N 1 0 359.386 2.729 20 5 FFBDRO COC1(OC)CCOC[C@@H]1CC[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC001179611150 1009378242 /nfs/dbraw/zinc/37/82/42/1009378242.db2.gz FINKYSLOGQRNBY-HNNXBMFYSA-N 1 0 352.431 2.717 20 5 FFBDRO C[NH+](C)CCC1CCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000134628399 1009482458 /nfs/dbraw/zinc/48/24/58/1009482458.db2.gz PDKYONOLPHFROG-UHFFFAOYSA-N 1 0 358.442 2.809 20 5 FFBDRO Cc1cc(NCC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)nc(C(C)C)n1 ZINC000863575824 1010260437 /nfs/dbraw/zinc/26/04/37/1010260437.db2.gz KBZUICZTMKBZEX-MRXNPFEDSA-N 1 0 359.430 2.552 20 5 FFBDRO CN(C)c1cccc(CN(C)Cn2c(=O)oc3cccc([N+](=O)[O-])c32)c1 ZINC000794632247 1010448194 /nfs/dbraw/zinc/44/81/94/1010448194.db2.gz GTMWUNZPTOEJIW-UHFFFAOYSA-N 1 0 356.382 2.658 20 5 FFBDRO C[N@H+](CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O)[C@H]1CCC(C)(C)C1 ZINC000794683251 1010469740 /nfs/dbraw/zinc/46/97/40/1010469740.db2.gz CQYDBBZIQYTKJW-HNNXBMFYSA-N 1 0 360.414 2.831 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1ccc(-n3cncn3)nc1)CCC2 ZINC000774125019 1010483397 /nfs/dbraw/zinc/48/33/97/1010483397.db2.gz YHRNLRWZPKQDEH-QGZVFWFLSA-N 1 0 350.382 2.738 20 5 FFBDRO C[NH+](C)[C@@H](CNC(=O)Cc1cccc(F)c1[N+](=O)[O-])c1ccc(F)cc1 ZINC000864942629 1010646236 /nfs/dbraw/zinc/64/62/36/1010646236.db2.gz VOLIMPQDVLKJSL-INIZCTEOSA-N 1 0 363.364 2.835 20 5 FFBDRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000864956649 1010653468 /nfs/dbraw/zinc/65/34/68/1010653468.db2.gz LEOHNYLTBIVPGL-MRXNPFEDSA-N 1 0 359.401 2.566 20 5 FFBDRO C[NH+](C)C1(C)CCC(N2C(=O)N[C@@](C)(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000865321922 1010762663 /nfs/dbraw/zinc/76/26/63/1010762663.db2.gz PGLVFQRGBWHNKH-FPCQFERPSA-N 1 0 374.441 2.625 20 5 FFBDRO Cc1cc(N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000866204230 1010950595 /nfs/dbraw/zinc/95/05/95/1010950595.db2.gz BGBWGBYTMIMUDX-DOTOQJQBSA-N 1 0 353.426 2.891 20 5 FFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CCCN(c2ncccn2)C1 ZINC000866238674 1010958920 /nfs/dbraw/zinc/95/89/20/1010958920.db2.gz QSIOVQISKKNQPC-XJKSGUPXSA-N 1 0 359.405 2.714 20 5 FFBDRO CN(CC[NH+]1CC2(C1)CCOCC2)c1nccc2c1cccc2[N+](=O)[O-] ZINC000866258060 1010963730 /nfs/dbraw/zinc/96/37/30/1010963730.db2.gz MLMQPZHXXONTFZ-UHFFFAOYSA-N 1 0 356.426 2.692 20 5 FFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1cccc(N2CCOCC2)n1 ZINC000866340934 1010980290 /nfs/dbraw/zinc/98/02/90/1010980290.db2.gz IRWODKDPBDNKDD-CQSZACIVSA-N 1 0 374.416 2.686 20 5 FFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccnc(-n2cncn2)c1 ZINC000866431747 1010992814 /nfs/dbraw/zinc/99/28/14/1010992814.db2.gz BJSOLOUARLFASC-AWEZNQCLSA-N 1 0 352.398 2.681 20 5 FFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1C[C@H]1C1CCOCC1 ZINC000866536780 1011013398 /nfs/dbraw/zinc/01/33/98/1011013398.db2.gz HWSAMGSSLRKZJH-XUWXXGDYSA-N 1 0 361.442 2.964 20 5 FFBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CC[C@](C)([NH3+])C3)cc2[N+](=O)[O-])C1 ZINC000868076446 1011160205 /nfs/dbraw/zinc/16/02/05/1011160205.db2.gz FVHVANNTFHJYIG-KSMMKXTCSA-N 1 0 360.458 2.640 20 5 FFBDRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000868318534 1011245960 /nfs/dbraw/zinc/24/59/60/1011245960.db2.gz FPFRNIZCZTYHLH-UHFFFAOYSA-N 1 0 363.389 2.850 20 5 FFBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc(-c2csc([C@H]3CCC[NH2+]3)n2)n1 ZINC001212639140 1011594756 /nfs/dbraw/zinc/59/47/56/1011594756.db2.gz WWTBLVBRUSJCJV-MRVPVSSYSA-N 1 0 362.346 2.727 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]C1CCN(c3ncccn3)CC1)CC2 ZINC001172899069 1012071800 /nfs/dbraw/zinc/07/18/00/1012071800.db2.gz LCGZMVFWISYISD-KRWDZBQOSA-N 1 0 367.453 2.891 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@@H]1CCN(CC3CCOCC3)C1)CC2 ZINC001172904438 1012076810 /nfs/dbraw/zinc/07/68/10/1012076810.db2.gz NOWUMZRAOULIQD-VQTJNVASSA-N 1 0 373.497 2.933 20 5 FFBDRO [NH3+]C[C@@H](CO)c1ccc(N[C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)cc1 ZINC001172907937 1012079297 /nfs/dbraw/zinc/07/92/97/1012079297.db2.gz JUBHRFLGIRZPIX-HKUYNNGSSA-N 1 0 355.438 2.989 20 5 FFBDRO N=c1nc([C@H]2CCC[NH2+]2)ccn1[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172916850 1012099269 /nfs/dbraw/zinc/09/92/69/1012099269.db2.gz UGGJYZMMXFBDTL-DOTOQJQBSA-N 1 0 353.426 2.815 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H](N1C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C1)O3)CC2 ZINC001172910823 1012123755 /nfs/dbraw/zinc/12/37/55/1012123755.db2.gz OJDHGOKGHNZUAR-SESVDKBCSA-N 1 0 371.481 2.637 20 5 FFBDRO C[C@@H]([NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1)c1cnccn1 ZINC001173006897 1012177064 /nfs/dbraw/zinc/17/70/64/1012177064.db2.gz CLKJWWVEMLOKFN-LLVKDONJSA-N 1 0 363.368 2.983 20 5 FFBDRO C[C@@H]1CC[N@@H+](C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)C[C@@]1(C)O ZINC001173009473 1012178629 /nfs/dbraw/zinc/17/86/29/1012178629.db2.gz CTHHQKCZNAUCJM-KZULUSFZSA-N 1 0 369.412 2.935 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH+]3CC4(C3)CCCOC4)CC2)c(F)c1 ZINC001173010325 1012178741 /nfs/dbraw/zinc/17/87/41/1012178741.db2.gz QLJZQWMPTZXMPX-UHFFFAOYSA-N 1 0 367.396 2.954 20 5 FFBDRO Cc1ncc(C[NH2+]C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)cn1 ZINC001173010373 1012179396 /nfs/dbraw/zinc/17/93/96/1012179396.db2.gz GHKNBVMIJKUKOH-UHFFFAOYSA-N 1 0 363.368 2.730 20 5 FFBDRO C[C@@H]1CC[N@@H+](C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)C[C@]1(C)O ZINC001173009474 1012179456 /nfs/dbraw/zinc/17/94/56/1012179456.db2.gz CTHHQKCZNAUCJM-XIKOKIGWSA-N 1 0 369.412 2.935 20 5 FFBDRO CC(C)N1CC[C@H]([NH2+]C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)C1 ZINC001173009539 1012179663 /nfs/dbraw/zinc/17/96/63/1012179663.db2.gz WTCNOSXNJUFINS-AWEZNQCLSA-N 1 0 368.428 2.914 20 5 FFBDRO C[NH+](C)[C@H]1CCCN(C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)C1 ZINC001173013813 1012183756 /nfs/dbraw/zinc/18/37/56/1012183756.db2.gz YEZXTQJCAUDHGY-AWEZNQCLSA-N 1 0 368.428 2.868 20 5 FFBDRO C[C@H]1C[NH+](C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)C[C@H](C)O1 ZINC001173014081 1012184547 /nfs/dbraw/zinc/18/45/47/1012184547.db2.gz JYIBXLPFHSVCBV-RYUDHWBXSA-N 1 0 355.385 2.951 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(N2CCC(N3CC[N@@H+]4CCC[C@@H]4C3)CC2)c(F)c1 ZINC001173013395 1012184779 /nfs/dbraw/zinc/18/47/79/1012184779.db2.gz RSZTTZUQVRJJBP-CQSZACIVSA-N 1 0 366.412 2.622 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@H]2CCCC3(C2)OCCO3)c1F ZINC001173178581 1012321333 /nfs/dbraw/zinc/32/13/33/1012321333.db2.gz CKXGNFOYBHWGFV-OLZOCXBDSA-N 1 0 368.405 2.949 20 5 FFBDRO COCC1(C[NH2+][C@@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])CCOCC1 ZINC001173178820 1012321826 /nfs/dbraw/zinc/32/18/26/1012321826.db2.gz IOYAGSJHJVGIIJ-ZDUSSCGKSA-N 1 0 370.421 2.706 20 5 FFBDRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C1 ZINC001173186371 1012328752 /nfs/dbraw/zinc/32/87/52/1012328752.db2.gz RNBCDSZEHHKUPL-YNEHKIRRSA-N 1 0 368.405 2.995 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CC3(C2)CC[NH+](C)CC3)c1F ZINC001173191196 1012332049 /nfs/dbraw/zinc/33/20/49/1012332049.db2.gz AZMNQZQJKJURNF-ZDUSSCGKSA-N 1 0 351.422 2.701 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CCC[N@@H+]3CCC[C@@H]3C2)c1F ZINC001173190522 1012332613 /nfs/dbraw/zinc/33/26/13/1012332613.db2.gz UUFJUGKNZLRXQW-UONOGXRCSA-N 1 0 351.422 2.844 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CC3(C2)CC[NH+](C)CC3)c1F ZINC001173191193 1012333302 /nfs/dbraw/zinc/33/33/02/1012333302.db2.gz AZMNQZQJKJURNF-CYBMUJFWSA-N 1 0 351.422 2.701 20 5 FFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC001173215724 1012348248 /nfs/dbraw/zinc/34/82/48/1012348248.db2.gz YVLJXPLMDMVJLG-QAPCUYQASA-N 1 0 353.422 2.917 20 5 FFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1CCN(C(=O)c2cccnc2)CC1 ZINC001173222122 1012350938 /nfs/dbraw/zinc/35/09/38/1012350938.db2.gz USJFVMHYOOLASZ-HNNXBMFYSA-N 1 0 368.437 2.815 20 5 FFBDRO CC(C)[NH+]1CCC(CCNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000870960138 1012654804 /nfs/dbraw/zinc/65/48/04/1012654804.db2.gz MJZYZMVKPJEGCN-UHFFFAOYSA-N 1 0 363.414 2.564 20 5 FFBDRO O=C(NCc1cccc2c1CC[N@H+](CCC1CCCC1)C2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001051291069 1017270284 /nfs/dbraw/zinc/27/02/84/1017270284.db2.gz JCBCUJLZSBIGRE-WOJBJXKFSA-N 1 0 371.481 2.906 20 5 FFBDRO Cc1c(C(=O)NC[C@H](C)[NH+]2CCCCC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000748715313 1017564559 /nfs/dbraw/zinc/56/45/59/1017564559.db2.gz XJWYRPLNAKYPMY-NSHDSACASA-N 1 0 364.402 2.724 20 5 FFBDRO C[N@@H+]1CC[C@H]2CN(C(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)CC[C@@H]21 ZINC000827331025 1017640478 /nfs/dbraw/zinc/64/04/78/1017640478.db2.gz VDEQQFDTMWLZEJ-BBRMVZONSA-N 1 0 372.450 2.885 20 5 FFBDRO CCc1ccc([C@H](NCCN2CCC([NH3+])CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000925811411 1017856079 /nfs/dbraw/zinc/85/60/79/1017856079.db2.gz IOXMAIGADNTBEQ-HXUWFJFHSA-N 1 0 372.469 2.852 20 5 FFBDRO CC1([NH+]2CCCC2)CCC(NC(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000928012257 1018741709 /nfs/dbraw/zinc/74/17/09/1018741709.db2.gz DBFGBVFRFSZWKX-UHFFFAOYSA-N 1 0 361.442 2.887 20 5 FFBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000801797508 1019388823 /nfs/dbraw/zinc/38/88/23/1019388823.db2.gz KSKHPTYJNUMJHA-UHFFFAOYSA-N 1 0 372.400 2.842 20 5 FFBDRO Cc1cccc(CN(CC[NH+](C)C)C(=O)c2cc([N+](=O)[O-])c(F)cc2N)c1 ZINC000801874125 1019472452 /nfs/dbraw/zinc/47/24/52/1019472452.db2.gz JZNCBHHLWLOSNA-UHFFFAOYSA-N 1 0 374.416 2.829 20 5 FFBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H](O)CC[C@H](O)c1ccccc1 ZINC000930353087 1019992362 /nfs/dbraw/zinc/99/23/62/1019992362.db2.gz GUUZMJKYGOZIGJ-UXHICEINSA-N 1 0 358.438 2.944 20 5 FFBDRO Cc1ccc(CC[N@H+]2[C@@H]3CC[C@H]2C[C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C3)cc1 ZINC001048525612 1020275955 /nfs/dbraw/zinc/27/59/55/1020275955.db2.gz ZXJMMJSFFVWANB-USYVTKNRSA-N 1 0 371.481 2.562 20 5 FFBDRO CCOCCO[C@H]1CCN(Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000777958244 1020331352 /nfs/dbraw/zinc/33/13/52/1020331352.db2.gz NLRIEGTWSQKSKQ-SFHVURJKSA-N 1 0 360.414 2.543 20 5 FFBDRO C/C(=C\C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C)CN1CCOCC1 ZINC000900347898 1020372991 /nfs/dbraw/zinc/37/29/91/1020372991.db2.gz GRFNSPMGQQIGHX-FOWTUZBSSA-N 1 0 361.442 2.610 20 5 FFBDRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000902796539 1020483123 /nfs/dbraw/zinc/48/31/23/1020483123.db2.gz OXNZJSQSPUUGOB-GFCCVEGCSA-N 1 0 359.361 2.872 20 5 FFBDRO CC1CCC([N@H+](C)CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000726585764 1020488633 /nfs/dbraw/zinc/48/86/33/1020488633.db2.gz NFMHJZFXCYPLFS-UHFFFAOYSA-N 1 0 360.414 2.831 20 5 FFBDRO C[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)N1CCCCC1 ZINC000726607454 1020492811 /nfs/dbraw/zinc/49/28/11/1020492811.db2.gz WJVQXLYYSKEBSF-HNNXBMFYSA-N 1 0 357.458 2.959 20 5 FFBDRO CCC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)CC1 ZINC000726932668 1020551370 /nfs/dbraw/zinc/55/13/70/1020551370.db2.gz QKOFWUGUHRBLAS-UHFFFAOYSA-N 1 0 364.402 2.724 20 5 FFBDRO COc1cc([C@@H](C)[NH2+]CCN2C[C@H]3CCCCN3C2=O)cc([N+](=O)[O-])c1 ZINC000903204870 1020737287 /nfs/dbraw/zinc/73/72/87/1020737287.db2.gz XJLJLVFYICHYSC-UKRRQHHQSA-N 1 0 362.430 2.544 20 5 FFBDRO C[C@](O)(C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)c1cccc(F)c1 ZINC000903312037 1020787879 /nfs/dbraw/zinc/78/78/79/1020787879.db2.gz XIXOFMASEGOUGV-RYRKJORJSA-N 1 0 362.405 2.911 20 5 FFBDRO COc1cc([C@@H](C)[NH2+]C[C@@]2(c3cnn(C)c3)CCCO2)cc([N+](=O)[O-])c1 ZINC000903359891 1020803977 /nfs/dbraw/zinc/80/39/77/1020803977.db2.gz UCJFHJABBLCRJE-FZKQIMNGSA-N 1 0 360.414 2.693 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N[C@@H](C)C[NH+]1CCCCC1 ZINC000749269503 1020910897 /nfs/dbraw/zinc/91/08/97/1020910897.db2.gz WFZNFELEVLMBBN-NSHDSACASA-N 1 0 366.374 2.576 20 5 FFBDRO CCOc1cc(CN2CCC(N3CCCOC3=O)CC2)ccc1[N+](=O)[O-] ZINC000933616193 1021046353 /nfs/dbraw/zinc/04/63/53/1021046353.db2.gz BPMLCXXKIMQLPZ-UHFFFAOYSA-N 1 0 363.414 2.800 20 5 FFBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@]2(C=Cc3ccccc3O2)C1 ZINC000933657092 1021062233 /nfs/dbraw/zinc/06/22/33/1021062233.db2.gz PTHLRPCDBZCHBJ-FQEVSTJZSA-N 1 0 367.405 2.697 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)CN2CCc3c(ncn3-c3ccccc3)C2)cc1 ZINC000778237362 1021187410 /nfs/dbraw/zinc/18/74/10/1021187410.db2.gz ORZJVIYWESCTMJ-FQEVSTJZSA-N 1 0 364.405 2.872 20 5 FFBDRO CNC(=O)c1ccc(C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000750031789 1021247050 /nfs/dbraw/zinc/24/70/50/1021247050.db2.gz CANWMLSVTCFUEY-IBGZPJMESA-N 1 0 369.421 2.652 20 5 FFBDRO Cn1cc([C@@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)cn1 ZINC001116556454 1021281851 /nfs/dbraw/zinc/28/18/51/1021281851.db2.gz OTKGUSXFFMQQEL-MOPGFXCFSA-N 1 0 352.394 2.741 20 5 FFBDRO Cc1c(Br)cnc(O[C@H]2CCC[C@]23CC[NH2+]C3)c1[N+](=O)[O-] ZINC001218098883 1032992740 /nfs/dbraw/zinc/99/27/40/1032992740.db2.gz XAXJAOULEBBBGS-SMDDNHRTSA-N 1 0 356.220 2.972 20 5 FFBDRO [NH3+]Cc1ccccc1CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC001118198038 1022112876 /nfs/dbraw/zinc/11/28/76/1022112876.db2.gz ZYNZCUHKIFHLCJ-UHFFFAOYSA-N 1 0 354.410 2.584 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCN(C[C@@H]3CCC[NH2+]C3)CC2)c(C(F)(F)F)c1 ZINC001118557037 1022288519 /nfs/dbraw/zinc/28/85/19/1022288519.db2.gz AUUWMUZSIDVWLK-CYBMUJFWSA-N 1 0 372.391 2.735 20 5 FFBDRO O=[N+]([O-])c1ccc(O[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1I ZINC001218185313 1033040088 /nfs/dbraw/zinc/04/00/88/1033040088.db2.gz ZGAIYFLCTYQDAV-JZYVYDRUSA-N 1 0 374.178 2.861 20 5 FFBDRO Cc1nc(N2Cc3ccccc3C3(CC[NH+](C)CC3)C2)ncc1[N+](=O)[O-] ZINC001118928041 1022478733 /nfs/dbraw/zinc/47/87/33/1022478733.db2.gz HVQYWNGJGHVFCA-UHFFFAOYSA-N 1 0 353.426 2.677 20 5 FFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC001119321628 1022683224 /nfs/dbraw/zinc/68/32/24/1022683224.db2.gz BRLABRXZIAUZLT-JTQLQIEISA-N 1 0 359.398 2.681 20 5 FFBDRO CCN1CC[NH+](CCCCNC(=O)/C=C(\C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000752355753 1023127134 /nfs/dbraw/zinc/12/71/34/1023127134.db2.gz RUMAUHZLJYFEHC-WUKNDPDISA-N 1 0 374.485 2.532 20 5 FFBDRO [NH3+][C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC[C@H]1C(F)(F)F ZINC001122242657 1023139185 /nfs/dbraw/zinc/13/91/85/1023139185.db2.gz LOLKJDQKSWUXDQ-PWSUYJOCSA-N 1 0 365.739 2.529 20 5 FFBDRO CCCN(C(=O)c1c[nH]nc1[N+](=O)[O-])C1CC[NH+](Cc2ccccc2)CC1 ZINC001119919223 1023160335 /nfs/dbraw/zinc/16/03/35/1023160335.db2.gz FUKAZXBLIRXPPN-UHFFFAOYSA-N 1 0 371.441 2.835 20 5 FFBDRO COC1CCC([N@H+](C)CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)CC1 ZINC000752790691 1023205394 /nfs/dbraw/zinc/20/53/94/1023205394.db2.gz AMUHJSDJQHKXAD-UHFFFAOYSA-N 1 0 362.430 2.684 20 5 FFBDRO Cc1ccc(C(=O)N[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1[N+](=O)[O-] ZINC001122402685 1023247822 /nfs/dbraw/zinc/24/78/22/1023247822.db2.gz YGTPWSDNKKSVES-OXQOHEQNSA-N 1 0 367.405 2.889 20 5 FFBDRO C[N@@H+]1C[C@@]23CN(C(=O)Cc4cccc(F)c4[N+](=O)[O-])C[C@]2(C1)CCCC3 ZINC001120756650 1023453293 /nfs/dbraw/zinc/45/32/93/1023453293.db2.gz UACLMSFNHYAFEM-KDURUIRLSA-N 1 0 361.417 2.611 20 5 FFBDRO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000754365947 1023460180 /nfs/dbraw/zinc/46/01/80/1023460180.db2.gz PLHLTOOQHIRUQU-HUYYVCJPSA-N 1 0 373.453 2.708 20 5 FFBDRO COc1cc(N2CCC([NH2+]C3CCOCC3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC001120959484 1023544219 /nfs/dbraw/zinc/54/42/19/1023544219.db2.gz JPYSHXDPABOYIR-UHFFFAOYSA-N 1 0 369.849 2.994 20 5 FFBDRO Cn1c(C2CC[NH+](C)CC2)nnc1N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001121316372 1023703105 /nfs/dbraw/zinc/70/31/05/1023703105.db2.gz SYCXFHSRINCWFQ-UHFFFAOYSA-N 1 0 370.457 2.702 20 5 FFBDRO O=c1c2cc(O[C@H]3C[NH2+]CCC3(F)F)c(O)cc2oc2cccc(O)c12 ZINC001218447932 1033161064 /nfs/dbraw/zinc/16/10/64/1033161064.db2.gz KHLBKXCWIDCBFI-HNNXBMFYSA-N 1 0 363.316 2.733 20 5 FFBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000757790929 1023859719 /nfs/dbraw/zinc/85/97/19/1023859719.db2.gz SVCVSRODCJIYGX-NOZJJQNGSA-N 1 0 370.356 2.800 20 5 FFBDRO O=[N+]([O-])c1ccc(O[C@@H]2CC[C@H]3C[NH2+]C[C@H]32)cc1I ZINC001218463363 1033168540 /nfs/dbraw/zinc/16/85/40/1033168540.db2.gz BMJGBJHYSXEHGA-IYYTYJHQSA-N 1 0 374.178 2.576 20 5 FFBDRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3ccc([N+](=O)[O-])o3)n2CC)C1 ZINC001121791962 1024027965 /nfs/dbraw/zinc/02/79/65/1024027965.db2.gz PAUXPWDGTHNYMC-CYBMUJFWSA-N 1 0 362.434 2.634 20 5 FFBDRO CC[C@@H](C)[NH+]1CCN(c2nnc([C@@H](C)[N+](=O)[O-])n2Cc2ccccc2)CC1 ZINC001122074067 1024319214 /nfs/dbraw/zinc/31/92/14/1024319214.db2.gz XWXOIICKMUSYAS-HZPDHXFCSA-N 1 0 372.473 2.585 20 5 FFBDRO C[NH2+]C[C@@H]1CCCCN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC001122159305 1024393791 /nfs/dbraw/zinc/39/37/91/1024393791.db2.gz OCGDRNHRYZBAEM-INIZCTEOSA-N 1 0 363.461 2.755 20 5 FFBDRO Cc1c([N+](=O)[O-])cc(C(=O)N(CC[NH+](C)C)C2CCCC2)cc1[N+](=O)[O-] ZINC000081551940 1024853468 /nfs/dbraw/zinc/85/34/68/1024853468.db2.gz DRFSHLMKMQPFBR-UHFFFAOYSA-N 1 0 364.402 2.758 20 5 FFBDRO O=C(O[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000837439076 1025807735 /nfs/dbraw/zinc/80/77/35/1025807735.db2.gz YZZFRZKAVDPQBT-QGZVFWFLSA-N 1 0 371.349 2.934 20 5 FFBDRO CC(C)c1[nH]nc(C(=O)O[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000837700107 1025971201 /nfs/dbraw/zinc/97/12/01/1025971201.db2.gz RTUCJJKDNLRVHW-CQSZACIVSA-N 1 0 358.398 2.873 20 5 FFBDRO C[C@H]1CN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1Cc1ccccc1 ZINC000839646345 1026773815 /nfs/dbraw/zinc/77/38/15/1026773815.db2.gz IGNVDPJUTZBBEK-JXFKEZNVSA-N 1 0 355.438 2.835 20 5 FFBDRO CC(C)(C[C@H]1CCC[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1)C(N)=O ZINC000840106860 1026957419 /nfs/dbraw/zinc/95/74/19/1026957419.db2.gz CKLYEGZFTJQJLI-CYBMUJFWSA-N 1 0 359.430 2.516 20 5 FFBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)OCc1cccc(C[NH+]2CCCCC2)c1 ZINC000840223153 1027011228 /nfs/dbraw/zinc/01/12/28/1027011228.db2.gz HKWQPFGTLOPJDQ-UHFFFAOYSA-N 1 0 372.425 2.829 20 5 FFBDRO CC[N@@H+]1CCCN(C(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)[C@@H](C)C1 ZINC001141860918 1027058616 /nfs/dbraw/zinc/05/86/16/1027058616.db2.gz LMBUIVQOXJQCES-ZDUSSCGKSA-N 1 0 356.426 2.887 20 5 FFBDRO C[N@H+](C1CN(c2cc(Cl)nc3ccc([N+](=O)[O-])cc32)C1)[C@H]1CCOC1 ZINC001158735769 1027118033 /nfs/dbraw/zinc/11/80/33/1027118033.db2.gz FZSPYPLHDHECGQ-LBPRGKRZSA-N 1 0 362.817 2.706 20 5 FFBDRO CC[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C[C@@H](O)c1ccc(C)cc1 ZINC000247702805 1027220046 /nfs/dbraw/zinc/22/00/46/1027220046.db2.gz YGYMKAHTQQLIGX-UYAOXDASSA-N 1 0 374.437 2.698 20 5 FFBDRO COC(=O)c1cnc(-n2c3ccccc3c3c2C[C@@H]([NH3+])CC3)c([N+](=O)[O-])c1 ZINC001159946462 1027541201 /nfs/dbraw/zinc/54/12/01/1027541201.db2.gz AKGCLLQZYMQUHV-LBPRGKRZSA-N 1 0 366.377 2.536 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(-n2cc(C(C)(C)C[NH3+])c3ccccc32)n1 ZINC001160848170 1027897666 /nfs/dbraw/zinc/89/76/66/1027897666.db2.gz TVFJFQQPSWYIBM-UHFFFAOYSA-N 1 0 368.393 2.957 20 5 FFBDRO COc1cccc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])c(OC)n3)C2)c1 ZINC001161188176 1028057785 /nfs/dbraw/zinc/05/77/85/1028057785.db2.gz RXOLHCNYLMZFPR-AWEZNQCLSA-N 1 0 358.398 2.693 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)nc(NCC2CC[NH+](C3CCOCC3)CC2)c1 ZINC001161233985 1028084610 /nfs/dbraw/zinc/08/46/10/1028084610.db2.gz BNIVDKYKCCJYLB-UHFFFAOYSA-N 1 0 354.838 2.946 20 5 FFBDRO CC(C)Oc1nc(N(c2ccncn2)[C@H]2CC[C@H]([NH3+])CC2)ccc1[N+](=O)[O-] ZINC001161366517 1028148391 /nfs/dbraw/zinc/14/83/91/1028148391.db2.gz HKSWFQABMNMINB-HDJSIYSDSA-N 1 0 372.429 2.975 20 5 FFBDRO C[NH+](C)[C@H]1C[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2Br)C1(C)C ZINC001161498235 1028203080 /nfs/dbraw/zinc/20/30/80/1028203080.db2.gz ININSBKVEBBONQ-NEPJUHHUSA-N 1 0 370.247 2.816 20 5 FFBDRO C[C@H](Nc1ccc([N+](=O)[O-])c(OCC[NH+](C)C)c1)c1nnc2ccccn21 ZINC001162186432 1028462672 /nfs/dbraw/zinc/46/26/72/1028462672.db2.gz OSPKJBGQUYOHCR-ZDUSSCGKSA-N 1 0 370.413 2.751 20 5 FFBDRO Cc1c(Cl)nc(-c2ccc([N+](=O)[O-])cc2)nc1NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001162476142 1028551776 /nfs/dbraw/zinc/55/17/76/1028551776.db2.gz PQSUZHPEYBLVFQ-RYUDHWBXSA-N 1 0 365.796 2.547 20 5 FFBDRO C[C@@H]([NH3+])c1nc2ccccc2n1-c1cc(/C=C/N(C)C)c([N+](=O)[O-])cn1 ZINC001155257847 1028647156 /nfs/dbraw/zinc/64/71/56/1028647156.db2.gz KKLANBACULYBMP-IDVQTMNDSA-N 1 0 352.398 2.881 20 5 FFBDRO O=[N+]([O-])c1c(Cl)c2ccccc2nc1NCC[C@H]1CCOC12C[NH2+]C2 ZINC001155476931 1028753292 /nfs/dbraw/zinc/75/32/92/1028753292.db2.gz JVNHTVMTZRWQBB-NSHDSACASA-N 1 0 362.817 2.977 20 5 FFBDRO O=[N+]([O-])c1ccccc1-c1ccc(NC[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001155597607 1028808228 /nfs/dbraw/zinc/80/82/28/1028808228.db2.gz LNVSHNBPCSJEMF-AUUYWEPGSA-N 1 0 369.425 2.622 20 5 FFBDRO O=[N+]([O-])c1ccccc1-c1ccc(NC[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001155597608 1028808880 /nfs/dbraw/zinc/80/88/80/1028808880.db2.gz LNVSHNBPCSJEMF-IFXJQAMLSA-N 1 0 369.425 2.622 20 5 FFBDRO NC1=CC=C(C2CCN(c3nc4ccccc4cc3[N+](=O)[O-])CC2)[NH2+]C1 ZINC001163134244 1028817324 /nfs/dbraw/zinc/81/73/24/1028817324.db2.gz SMGOYQXHLKNDQY-UHFFFAOYSA-N 1 0 351.410 2.689 20 5 FFBDRO O=C(Nc1cccnc1N[C@H]1C[NH+]2CCC1CC2)c1ccccc1[N+](=O)[O-] ZINC001163380916 1028911830 /nfs/dbraw/zinc/91/18/30/1028911830.db2.gz IKRNLAWGAXRXQD-INIZCTEOSA-N 1 0 367.409 2.748 20 5 FFBDRO Cc1c(Cl)nc(-c2ccc([N+](=O)[O-])cc2)nc1N[C@H]1C[NH+]2CCC1CC2 ZINC001163388255 1028912743 /nfs/dbraw/zinc/91/27/43/1028912743.db2.gz RHLDGBLQBWGFEM-HNNXBMFYSA-N 1 0 373.844 2.942 20 5 FFBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(-n2c(C[NH3+])cc3cc(Cl)ccc32)n1 ZINC001155995966 1029006287 /nfs/dbraw/zinc/00/62/87/1029006287.db2.gz NSZBPTFHZRJNRP-UHFFFAOYSA-N 1 0 374.788 2.708 20 5 FFBDRO CN1CCC(CNc2nc(Cl)c(Cl)cc2[N+](=O)[O-])([NH+](C)C)CC1 ZINC001156182153 1029078457 /nfs/dbraw/zinc/07/84/57/1029078457.db2.gz PITOANLAJYGRKI-UHFFFAOYSA-N 1 0 362.261 2.735 20 5 FFBDRO O=[N+]([O-])c1cccc2ncnc(N3CCC[N@H+](Cc4ccncc4)CC3)c21 ZINC001163829106 1029083841 /nfs/dbraw/zinc/08/38/41/1029083841.db2.gz XUAKHTFRQJQYTA-UHFFFAOYSA-N 1 0 364.409 2.645 20 5 FFBDRO COC(=O)c1cc(NCc2cccnc2C2CC[NH2+]CC2)cc([N+](=O)[O-])c1 ZINC001163914951 1029115106 /nfs/dbraw/zinc/11/51/06/1029115106.db2.gz MMSPBIWIIJPNPU-UHFFFAOYSA-N 1 0 370.409 2.856 20 5 FFBDRO COc1nc(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)ncc1[N+](=O)[O-] ZINC001156314329 1029139542 /nfs/dbraw/zinc/13/95/42/1029139542.db2.gz FWWKPOVBHCCGQM-HRCADAONSA-N 1 0 369.425 2.716 20 5 FFBDRO CNc1nccc(C(=O)Nc2ccccc2Nc2cc[nH+]cc2)c1[N+](=O)[O-] ZINC001156431870 1029193920 /nfs/dbraw/zinc/19/39/20/1029193920.db2.gz JNFCFHDYMDXHCW-UHFFFAOYSA-N 1 0 364.365 2.844 20 5 FFBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N(c2cccc(C[NH3+])c2)S(C)(=O)=O)n1 ZINC001156486344 1029213567 /nfs/dbraw/zinc/21/35/67/1029213567.db2.gz NBHUALAOJAVCJB-UHFFFAOYSA-N 1 0 370.818 2.508 20 5 FFBDRO O=[N+]([O-])c1cnc(N2CCC[C@H]2c2c(F)cccc2F)nc1C1C[NH2+]C1 ZINC001156946826 1029418778 /nfs/dbraw/zinc/41/87/78/1029418778.db2.gz FLEZDQLVOKAAFJ-ZDUSSCGKSA-N 1 0 361.352 2.691 20 5 FFBDRO CN(C)/C=C\c1cc(N2CCC3(CC2)CC[NH+](C)CC3)ncc1[N+](=O)[O-] ZINC001165185713 1029439660 /nfs/dbraw/zinc/43/96/60/1029439660.db2.gz QVMDBCXZOBDPFF-WTKPLQERSA-N 1 0 359.474 2.834 20 5 FFBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N2CCCC[C@@]23CCC[NH2+]C3)n1 ZINC001157467578 1029592311 /nfs/dbraw/zinc/59/23/11/1029592311.db2.gz GJRAXBAZAGTJPV-AWEZNQCLSA-N 1 0 357.867 2.873 20 5 FFBDRO C[C@@]1(CO)C[C@H](O)C[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000888092492 1029618396 /nfs/dbraw/zinc/61/83/96/1029618396.db2.gz XFOCXZYYRGKCKJ-SJCJKPOMSA-N 1 0 366.801 2.826 20 5 FFBDRO CCC[NH+]1C[C@@H]2CN(C(F)(F)c3cc([N+](=O)[O-])cnc3Cl)C[C@H]2C1 ZINC001157692924 1029646982 /nfs/dbraw/zinc/64/69/82/1029646982.db2.gz ZLRYGFRHAWKIRD-GHMZBOCLSA-N 1 0 360.792 2.966 20 5 FFBDRO CCC[N@H+]1C[C@H]2CN(c3cc([N+](=O)[O-])cc4c(Cl)ncnc43)C[C@H]2C1 ZINC001157698122 1029647571 /nfs/dbraw/zinc/64/75/71/1029647571.db2.gz CIILRQUKGZDCML-TXEJJXNPSA-N 1 0 361.833 2.969 20 5 FFBDRO COc1cc(C)nc(N(Cc2cccnc2)[C@H]2CC[C@H]([NH3+])CC2)c1[N+](=O)[O-] ZINC001158166910 1029748782 /nfs/dbraw/zinc/74/87/82/1029748782.db2.gz PXDKSQFUKAIMNR-WKILWMFISA-N 1 0 371.441 2.978 20 5 FFBDRO [NH3+]Cc1cccc2c1cnn2-c1nc(Cl)nc2ccc([N+](=O)[O-])cc21 ZINC001158307896 1029793409 /nfs/dbraw/zinc/79/34/09/1029793409.db2.gz NQUYCLVAZSDOID-UHFFFAOYSA-N 1 0 354.757 2.989 20 5 FFBDRO [NH3+]Cc1cccc2c1cnn2-c1cc2ncnc(Cl)c2cc1[N+](=O)[O-] ZINC001158308467 1029794078 /nfs/dbraw/zinc/79/40/78/1029794078.db2.gz WYVGEFQULXEQFY-UHFFFAOYSA-N 1 0 354.757 2.989 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC(C)(C)[C@@H]1COCC12OCCO2 ZINC000840802553 1029886090 /nfs/dbraw/zinc/88/60/90/1029886090.db2.gz MFONYWOGCWWWDM-PBHICJAKSA-N 1 0 364.442 2.970 20 5 FFBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1C[C@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001165202300 1029887823 /nfs/dbraw/zinc/88/78/23/1029887823.db2.gz MHVVUUQMGARVTF-GJZGRUSLSA-N 1 0 356.426 2.636 20 5 FFBDRO O=[N+]([O-])c1cc(-c2ccc(N3CC[C@@]4(C3)CCC[NH2+]C4)nn2)ccc1F ZINC001165241289 1029911169 /nfs/dbraw/zinc/91/11/69/1029911169.db2.gz CCPMTRFKFIPRKV-SFHVURJKSA-N 1 0 357.389 2.771 20 5 FFBDRO [NH3+]C1([C@@H]2CN(c3ccc(-c4ccc([N+](=O)[O-])cc4)nn3)C[C@H]2CF)CC1 ZINC001165434286 1029982178 /nfs/dbraw/zinc/98/21/78/1029982178.db2.gz RBXKJYUTAIRRMW-UKRRQHHQSA-N 1 0 357.389 2.565 20 5 FFBDRO C[NH2+]Cc1ccccc1NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000841306815 1030177846 /nfs/dbraw/zinc/17/78/46/1030177846.db2.gz CMCGRXGPPHWPRJ-UHFFFAOYSA-N 1 0 369.425 2.668 20 5 FFBDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001166653245 1030469522 /nfs/dbraw/zinc/46/95/22/1030469522.db2.gz KPQJOZSKUNLIHC-CQSZACIVSA-N 1 0 371.441 2.835 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(-n2cc3c(cccc3N3CC[NH2+]CC3)n2)nc1Cl ZINC001166991876 1030601780 /nfs/dbraw/zinc/60/17/80/1030601780.db2.gz OITASSXNAFYART-UHFFFAOYSA-N 1 0 372.816 2.700 20 5 FFBDRO O=C1N(C[N@@H+]2CCC[C@H]2[C@H]2CCCOC2)CCN1c1ccccc1[N+](=O)[O-] ZINC000842620100 1030832914 /nfs/dbraw/zinc/83/29/14/1030832914.db2.gz YRTATGJDMZCBII-HOTGVXAUSA-N 1 0 374.441 2.685 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2ncn(C[N@@H+]3CC[C@@H](c4cccnc4)C3)n2)c1 ZINC000842622479 1030839312 /nfs/dbraw/zinc/83/93/12/1030839312.db2.gz PKYNOOKBRCXUEE-MRXNPFEDSA-N 1 0 350.382 2.695 20 5 FFBDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1OC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000797338982 1031073695 /nfs/dbraw/zinc/07/36/95/1031073695.db2.gz GUAFQNPSOBSALF-INIZCTEOSA-N 1 0 372.425 2.635 20 5 FFBDRO CCOC(=O)N1CCC([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000797521027 1031144761 /nfs/dbraw/zinc/14/47/61/1031144761.db2.gz SPCHGPZOLVMFSN-ZDUSSCGKSA-N 1 0 365.430 2.950 20 5 FFBDRO Cc1cc(C)cc([C@@H](O)C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000843091384 1031180141 /nfs/dbraw/zinc/18/01/41/1031180141.db2.gz BRQGXUWMTRRNCQ-SFHVURJKSA-N 1 0 357.410 2.863 20 5 FFBDRO [NH3+]CCc1ccc(CNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)cc1 ZINC000843327657 1031321995 /nfs/dbraw/zinc/32/19/95/1031321995.db2.gz MPCMEVRFNXYQHY-UHFFFAOYSA-N 1 0 356.426 2.605 20 5 FFBDRO C[N@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C[C@@]1(O)CCc2ccccc21 ZINC000843423113 1031393768 /nfs/dbraw/zinc/39/37/68/1031393768.db2.gz ZVGOGRZSQXVMDI-FQEVSTJZSA-N 1 0 370.405 2.632 20 5 FFBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CCc3ccccc3[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000843508783 1031435932 /nfs/dbraw/zinc/43/59/32/1031435932.db2.gz XAZQULLREWQXKU-KRWDZBQOSA-N 1 0 370.365 2.510 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H](c1nc(-c3ccc4c(n3)CC[NH2+]C4)no1)N=N2 ZINC001204998959 1031484594 /nfs/dbraw/zinc/48/45/94/1031484594.db2.gz PIWPNNGQHUXCND-OAHLLOKOSA-N 1 0 363.337 2.872 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])cc1F)N1CC[NH2+][C@@H](Cc2ccc(F)cc2)C1 ZINC001149535156 1031533216 /nfs/dbraw/zinc/53/32/16/1031533216.db2.gz MWPDZVJPNYZLKD-AWEZNQCLSA-N 1 0 361.348 2.530 20 5 FFBDRO CNc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3cccc(C)c3)C2)cc1[N+](=O)[O-] ZINC001149840501 1031605224 /nfs/dbraw/zinc/60/52/24/1031605224.db2.gz YEHCRRSJKMZUCT-QGZVFWFLSA-N 1 0 368.437 2.949 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ncn(C[N@@H+]3CC[C@@H](c4ccccn4)C3)n2)cc1 ZINC000799155908 1031671023 /nfs/dbraw/zinc/67/10/23/1031671023.db2.gz PPXPUCCAVAWLCP-OAHLLOKOSA-N 1 0 350.382 2.695 20 5 FFBDRO Cc1ccc(C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCCCC2)c(C)c1 ZINC001115530589 1031787495 /nfs/dbraw/zinc/78/74/95/1031787495.db2.gz GCOAPVKNQFOKHD-QZTJIDSGSA-N 1 0 359.470 2.877 20 5 FFBDRO CC(C)(C)OC[C@H]([NH3+])CC(=O)Nc1cc2nc3ccccc3nc2cc1N ZINC001218856495 1033379313 /nfs/dbraw/zinc/37/93/13/1033379313.db2.gz CKDBEUZTCQIINK-GFCCVEGCSA-N 1 0 367.453 2.836 20 5 FFBDRO C[C@@H]1CC2(C[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)CCOCC2 ZINC000830603655 1033706597 /nfs/dbraw/zinc/70/65/97/1033706597.db2.gz YYIRKTRZHUTGAH-CYBMUJFWSA-N 1 0 365.405 2.954 20 5 FFBDRO O=[N+]([O-])c1ccc(CO[C@H]2CC[C@H]([NH+]3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC001224098051 1033714753 /nfs/dbraw/zinc/71/47/53/1033714753.db2.gz ZIYWJWCAGMQBAO-KOMQPUFPSA-N 1 0 365.386 2.663 20 5 FFBDRO CCOC(=O)CCCCCCCCCOC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001224806348 1034015149 /nfs/dbraw/zinc/01/51/49/1034015149.db2.gz YYORAJRPSUOVEH-QGZVFWFLSA-N 1 0 360.515 2.671 20 5 FFBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(I)nc1Cl ZINC001225461727 1034262422 /nfs/dbraw/zinc/26/24/22/1034262422.db2.gz KPPZRSUDNSIZOH-MRVPVSSYSA-N 1 0 355.627 2.813 20 5 FFBDRO Cc1cc(O)c(I)c(O[C@H](C)C[N+](C)(C)C)c1 ZINC001225510000 1034283160 /nfs/dbraw/zinc/28/31/60/1034283160.db2.gz BGNMQUQPGBBXQW-SNVBAGLBSA-O 1 0 350.220 2.779 20 5 FFBDRO C[C@H](c1ccccn1)[N@@H+]1CCC[C@H](Oc2ccc([N+](=O)[O-])cc2C(N)=O)C1 ZINC001226171620 1034559364 /nfs/dbraw/zinc/55/93/64/1034559364.db2.gz DPLJFUHAKADGJU-HIFRSBDPSA-N 1 0 370.409 2.693 20 5 FFBDRO CC[NH+](CC)Cc1cccc(CNC(=O)Nc2c(C)cncc2[N+](=O)[O-])c1 ZINC001203059606 1035950961 /nfs/dbraw/zinc/95/09/61/1035950961.db2.gz HFTAZHRGNLFSOC-UHFFFAOYSA-N 1 0 371.441 2.884 20 5 FFBDRO COCC[NH+]1CCC(Oc2nc(C)c([N+](=O)[O-])cc2Br)CC1 ZINC001228624098 1036212799 /nfs/dbraw/zinc/21/27/99/1036212799.db2.gz WJRAWGOECIHQJU-UHFFFAOYSA-N 1 0 374.235 2.550 20 5 FFBDRO O=c1[nH]nc(O[C@@H]2CC[N@H+](Cc3ccccc3)C2)c2c1cccc2[N+](=O)[O-] ZINC001229374607 1036637925 /nfs/dbraw/zinc/63/79/25/1036637925.db2.gz PPFOHBMLRWFUOQ-CQSZACIVSA-N 1 0 366.377 2.897 20 5 FFBDRO COc1cc(CC[N+](=O)[O-])ccc1O[C@H]1CC[C@@H]([NH+]2CCOCC2)CC1 ZINC001233984948 1036856831 /nfs/dbraw/zinc/85/68/31/1036856831.db2.gz RHWBUZARNDLGGJ-CALCHBBNSA-N 1 0 364.442 2.537 20 5 FFBDRO C[C@H](C[NH+](C)C)Oc1ccc(I)cc1[N+](=O)[O-] ZINC001229940933 1036992417 /nfs/dbraw/zinc/99/24/17/1036992417.db2.gz MPBLTXUXYFNUAW-MRVPVSSYSA-N 1 0 350.156 2.528 20 5 FFBDRO CC(=O)Nc1ccc([N+](=O)[O-])cc1OC[C@@H]1CCC2(CC[NH+](C)CC2)O1 ZINC001230247247 1037174373 /nfs/dbraw/zinc/17/43/73/1037174373.db2.gz IABJFCXMFHFVLV-HNNXBMFYSA-N 1 0 363.414 2.575 20 5 FFBDRO Cc1nccc([N+](=O)[O-])c1OC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001234901819 1037232194 /nfs/dbraw/zinc/23/21/94/1037232194.db2.gz SBXGPKNWMPNFPL-QGZVFWFLSA-N 1 0 357.410 2.968 20 5 FFBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(O[C@H](CC[NH+](C)C)c2ccccc2)n1 ZINC001234911082 1037237590 /nfs/dbraw/zinc/23/75/90/1037237590.db2.gz PJJMPUIVJRPFRH-OAHLLOKOSA-N 1 0 373.413 2.723 20 5 FFBDRO Cc1cc(Cc2ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c(C)c2)ccc1O ZINC001230429411 1037279335 /nfs/dbraw/zinc/27/93/35/1037279335.db2.gz JFYPCOXTDIYXKN-LJQANCHMSA-O 1 0 372.485 2.962 20 5 FFBDRO COCCC[NH+]1CCC(Oc2cc([N+](=O)[O-])c(C)cc2[N+](=O)[O-])CC1 ZINC001230491722 1037293907 /nfs/dbraw/zinc/29/39/07/1037293907.db2.gz ARAIWHRHMHHXCK-UHFFFAOYSA-N 1 0 353.375 2.691 20 5 FFBDRO COc1cc(O[C@@H](C)C[NH+](C)C)c2c(c1)oc1ccc(OC)c(O)c1c2=O ZINC001230525603 1037302452 /nfs/dbraw/zinc/30/24/52/1037302452.db2.gz HOUHHYFBSRJGNH-NSHDSACASA-N 1 0 373.405 2.998 20 5 FFBDRO CC(=O)O[C@H]1C[C@@H]2C[C@H](Oc3cnc4c(cccc4[N+](=O)[O-])c3)C[C@H]1[N@@H+]2C ZINC001231156962 1037485839 /nfs/dbraw/zinc/48/58/39/1037485839.db2.gz VWYCCRZYETVHIY-ZZCKCESHSA-N 1 0 371.393 2.689 20 5 FFBDRO C[C@@H](C(=O)N1CCN(c2cc[nH+]cc2)[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC001536994327 1070098962 /nfs/dbraw/zinc/09/89/62/1070098962.db2.gz IZIVUWFCPKSTBP-UONOGXRCSA-N 1 0 372.400 2.970 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC001208345693 1038236433 /nfs/dbraw/zinc/23/64/33/1038236433.db2.gz YGPXURCCNYRSCE-JSGCOSHPSA-N 1 0 369.487 2.610 20 5 FFBDRO COc1cc(N2CCC([NH2+]CCOc3ccccn3)CC2)ccc1[N+](=O)[O-] ZINC001256088695 1038372859 /nfs/dbraw/zinc/37/28/59/1038372859.db2.gz YITIDTIVVSCBLA-UHFFFAOYSA-N 1 0 372.425 2.636 20 5 FFBDRO COc1cc(N2CCC(NCc3nc(C4CC4)no3)CC2)ccc1[N+](=O)[O-] ZINC001256087514 1038373082 /nfs/dbraw/zinc/37/30/82/1038373082.db2.gz DKESMBJJQIVQMQ-UHFFFAOYSA-N 1 0 373.413 2.622 20 5 FFBDRO C[C@@H]1C[N@@H+](CCc2nnc(-c3cc4cccc([N+](=O)[O-])c4[nH]3)o2)C[C@H](C)O1 ZINC001258027124 1039124295 /nfs/dbraw/zinc/12/42/95/1039124295.db2.gz JFQYRZBSCGKJFP-TXEJJXNPSA-N 1 0 371.397 2.778 20 5 FFBDRO Cc1noc(C)c1NC(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001209684124 1039127953 /nfs/dbraw/zinc/12/79/53/1039127953.db2.gz ADPDSQKRKOAGTL-UHFFFAOYSA-N 1 0 374.401 2.595 20 5 FFBDRO Cc1cc(-c2nnc(CC[NH+]3C[C@H](C)O[C@@H](C)C3)o2)cc([N+](=O)[O-])c1C ZINC001258161746 1039241078 /nfs/dbraw/zinc/24/10/78/1039241078.db2.gz LYJUMGPQUMECHK-STQMWFEESA-N 1 0 360.414 2.913 20 5 FFBDRO Cc1ccc(-c2nnc(CC[NH+]3C[C@@H](C)O[C@H](C)C3)o2)c([N+](=O)[O-])c1C ZINC001258161602 1039241149 /nfs/dbraw/zinc/24/11/49/1039241149.db2.gz KDQDVNRGVRDQTG-CHWSQXEVSA-N 1 0 360.414 2.913 20 5 FFBDRO C[NH+]1CCN(c2cccc3[nH]c(-c4ncc(Cl)cc4[N+](=O)[O-])nc32)CC1 ZINC001251787539 1039299554 /nfs/dbraw/zinc/29/95/54/1039299554.db2.gz PJYCILCRYMJTNB-UHFFFAOYSA-N 1 0 372.816 2.938 20 5 FFBDRO CC[NH+]1CCN(c2ccc(Nc3cnc(OC)c([N+](=O)[O-])c3)cc2)CC1 ZINC001210138448 1039402025 /nfs/dbraw/zinc/40/20/25/1039402025.db2.gz SCMNLMZQRUNGJE-UHFFFAOYSA-N 1 0 357.414 2.884 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N(C2CC2)[C@H]2CCC[NH2+]C2)c1F ZINC001246904205 1039525942 /nfs/dbraw/zinc/52/59/42/1039525942.db2.gz FOUOLEHKTUGENC-OCCSQVGLSA-N 1 0 351.422 2.890 20 5 FFBDRO CCCN([C@H]1CC[NH2+]C1)C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001246931695 1039538676 /nfs/dbraw/zinc/53/86/76/1039538676.db2.gz XYHVUPYDDFDSDX-AWEZNQCLSA-N 1 0 368.428 2.916 20 5 FFBDRO C[C@@H](c1nc(-c2ccc3c(n2)CC[NH2+]C3)no1)c1ccc([N+](=O)[O-])cc1 ZINC001247604187 1039826735 /nfs/dbraw/zinc/82/67/35/1039826735.db2.gz OZMQKPKLKYBMTG-LLVKDONJSA-N 1 0 351.366 2.837 20 5 FFBDRO Cc1c(Nc2cccnc2N2CC[NH+](C)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001211292687 1040064966 /nfs/dbraw/zinc/06/49/66/1040064966.db2.gz PXMHNCJLBQNGDN-UHFFFAOYSA-N 1 0 372.385 2.702 20 5 FFBDRO Cc1c(Nc2c[nH+]ccc2N2CCOCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001211292348 1040065476 /nfs/dbraw/zinc/06/54/76/1040065476.db2.gz XRPUKTUQAHESHH-UHFFFAOYSA-N 1 0 359.342 2.787 20 5 FFBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@@H]2C[C@@H](c3ccccc3)C[NH2+]2)n1 ZINC001248207255 1040172362 /nfs/dbraw/zinc/17/23/62/1040172362.db2.gz YBJWFPRNYGPHTH-YPMHNXCESA-N 1 0 355.329 2.997 20 5 FFBDRO CCc1cccnc1-c1noc(C[C@H]([NH3+])Cc2ccc([N+](=O)[O-])cc2)n1 ZINC001248214901 1040176379 /nfs/dbraw/zinc/17/63/79/1040176379.db2.gz VTSOLFQPLSBPRV-CQSZACIVSA-N 1 0 353.382 2.715 20 5 FFBDRO O=[N+]([O-])c1ccc(F)c(F)c1Cc1nc(-c2ccc3c(n2)CC[NH2+]C3)no1 ZINC001249290624 1040668395 /nfs/dbraw/zinc/66/83/95/1040668395.db2.gz ZHMOBCIEMSZPET-UHFFFAOYSA-N 1 0 373.319 2.555 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCn3nnc4ccccc43)CC2)cc1 ZINC001254467373 1040735053 /nfs/dbraw/zinc/73/50/53/1040735053.db2.gz AEQDIPLWMLWXSU-UHFFFAOYSA-N 1 0 366.425 2.598 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@@H](O)c3cccc(O)c3)CC2)cc1 ZINC001254469171 1040736008 /nfs/dbraw/zinc/73/60/08/1040736008.db2.gz XGSQVJHQJPEALH-LJQANCHMSA-N 1 0 357.410 2.592 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CCC[C@@](O)(CF)CC3)CC2)cc1 ZINC001254473980 1040740798 /nfs/dbraw/zinc/74/07/98/1040740798.db2.gz KKHRWABCWPJHDS-SFHVURJKSA-N 1 0 351.422 2.750 20 5 FFBDRO COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[N@@H+]1C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254483022 1040749739 /nfs/dbraw/zinc/74/97/39/1040749739.db2.gz OYZHNCCWXMAVMW-JEBQAFNWSA-N 1 0 359.426 2.590 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@]12C[C@H]1CN(C(=O)c1ccco1)C2 ZINC001254535171 1040785811 /nfs/dbraw/zinc/78/58/11/1040785811.db2.gz HVDCIGSLERIWHX-RFUYNDQBSA-N 1 0 355.394 2.623 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1CCN(c2cnccn2)CC1 ZINC001254547170 1040790701 /nfs/dbraw/zinc/79/07/01/1040790701.db2.gz VYGWUXBPUNZVIW-OAHLLOKOSA-N 1 0 355.442 2.822 20 5 FFBDRO COc1cc(C)nc(O[C@@H]2CC[N@@H+]([C@@H](C)Cc3ccccc3[N+](=O)[O-])C2)n1 ZINC001254568509 1040804831 /nfs/dbraw/zinc/80/48/31/1040804831.db2.gz GKHPSJPTXJXPQF-GOEBONIOSA-N 1 0 372.425 2.786 20 5 FFBDRO COc1cc(N([C@@H](C)Cc2ccccc2[N+](=O)[O-])C2CC[NH2+]CC2)ncn1 ZINC001254569682 1040806433 /nfs/dbraw/zinc/80/64/33/1040806433.db2.gz JTWYXJMSSCOLHR-AWEZNQCLSA-N 1 0 371.441 2.583 20 5 FFBDRO COc1ccnc(OC2CC[NH+]([C@@H](C)Cc3ccccc3[N+](=O)[O-])CC2)n1 ZINC001254571635 1040809158 /nfs/dbraw/zinc/80/91/58/1040809158.db2.gz ZJNYXQVSSWLLFC-AWEZNQCLSA-N 1 0 372.425 2.868 20 5 FFBDRO CC(C)(C)C(=O)CN1CCC([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254587663 1040818645 /nfs/dbraw/zinc/81/86/45/1040818645.db2.gz YPTGMDXSFUPOMJ-QGZVFWFLSA-N 1 0 359.470 2.731 20 5 FFBDRO CN1c2ccccc2[C@@]2(CC[N@@H+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)C1=O ZINC001254594673 1040821697 /nfs/dbraw/zinc/82/16/97/1040821697.db2.gz HADLFLYZPCGMGA-UTKZUKDTSA-N 1 0 363.417 2.682 20 5 FFBDRO CC[C@@H]1[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCC[C@]12CCC(=O)N2C ZINC001254596875 1040826837 /nfs/dbraw/zinc/82/68/37/1040826837.db2.gz SIVPAEZXBGFSHX-BJLQDIEVSA-N 1 0 357.454 2.927 20 5 FFBDRO O=C([C@H]1CCC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1)N1CCCCC1 ZINC001254601383 1040831434 /nfs/dbraw/zinc/83/14/34/1040831434.db2.gz ZATBEAMGWYOION-LPHOPBHVSA-N 1 0 357.454 2.787 20 5 FFBDRO Cc1cnc(O[C@@H]2CCC[N@@H+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)nc1 ZINC001254605329 1040834402 /nfs/dbraw/zinc/83/44/02/1040834402.db2.gz BERONEIKSAGBBT-ZWKOTPCHSA-N 1 0 354.410 2.704 20 5 FFBDRO Cc1cc(N([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C2CC[NH2+]CC2)nc(C)n1 ZINC001254606332 1040834987 /nfs/dbraw/zinc/83/49/87/1040834987.db2.gz GKFDBRZYTICOIX-LJQANCHMSA-N 1 0 367.453 2.727 20 5 FFBDRO C[NH+](C)Cc1ccc2[nH]c(-c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])nc2c1 ZINC001250693539 1041306587 /nfs/dbraw/zinc/30/65/87/1041306587.db2.gz LVNPJFLCMLUSMF-UHFFFAOYSA-N 1 0 374.422 2.603 20 5 FFBDRO COc1cccc([C@H]2C[NH2+]CCN2C(=O)c2cc(F)ccc2[N+](=O)[O-])c1 ZINC001262042725 1041526536 /nfs/dbraw/zinc/52/65/36/1041526536.db2.gz VIJVIEPJQVHUOF-QGZVFWFLSA-N 1 0 359.357 2.529 20 5 FFBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)[C@@H]3CCCC34CC4)c2)CC1 ZINC001262812038 1041872260 /nfs/dbraw/zinc/87/22/60/1041872260.db2.gz IZFXLSRLZCTBCA-HNNXBMFYSA-N 1 0 358.442 2.865 20 5 FFBDRO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cc(C(F)(F)F)ccc3[N+](=O)[O-])[C@@H]2C1 ZINC001262826550 1041880887 /nfs/dbraw/zinc/88/08/87/1041880887.db2.gz MCTONCAHEVUKKL-ZWKOPEQDSA-N 1 0 357.332 2.684 20 5 FFBDRO CC(=O)N1CCN(c2cc[nH+]cc2Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC001216482235 1042038429 /nfs/dbraw/zinc/03/84/29/1042038429.db2.gz CMHXJGPSWYDSIO-UHFFFAOYSA-N 1 0 359.361 2.541 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N(C)CC3CC[NH2+]CC3)cc2[N+](=O)[O-])CC1 ZINC001263315181 1042236903 /nfs/dbraw/zinc/23/69/03/1042236903.db2.gz QEFCHWSIGUVKBV-UHFFFAOYSA-N 1 0 374.485 2.903 20 5 FFBDRO O=C(C1C[NH+](C2CCCCC2)C1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001538415754 1070428984 /nfs/dbraw/zinc/42/89/84/1070428984.db2.gz PDEPSLALHHZLJH-UHFFFAOYSA-N 1 0 372.469 2.508 20 5 FFBDRO CCc1ccc([C@H](CNC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)[NH+](C)C)cc1 ZINC001539263034 1070599883 /nfs/dbraw/zinc/59/98/83/1070599883.db2.gz WOCCKYHRQBJBBE-LBPRGKRZSA-N 1 0 365.821 2.566 20 5 FFBDRO Nc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC001539270505 1070602396 /nfs/dbraw/zinc/60/23/96/1070602396.db2.gz FLSAGHPBYHAFQL-GOSISDBHSA-N 1 0 354.410 2.744 20 5 FFBDRO C[C@@H](C(=O)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1)[NH+]1CCCCCC1 ZINC001318828817 1044899310 /nfs/dbraw/zinc/89/93/10/1044899310.db2.gz RKQHSJSHFUSNQV-KRWDZBQOSA-N 1 0 374.485 2.504 20 5 FFBDRO CCC[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ccc(C)cc1Cl ZINC001317540218 1045106857 /nfs/dbraw/zinc/10/68/57/1045106857.db2.gz GYJDHYUDOMQHKB-GDBMZVCRSA-N 1 0 353.850 2.642 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(C[NH2+]C[C@]2(O)CCOC2)o1 ZINC001319480588 1045164858 /nfs/dbraw/zinc/16/48/58/1045164858.db2.gz CLQBBTOYZWUFEV-MRXNPFEDSA-N 1 0 352.774 2.749 20 5 FFBDRO Cc1cc(N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001319503946 1045175660 /nfs/dbraw/zinc/17/56/60/1045175660.db2.gz BAMCOCMZSBXSQV-SJKOYZFVSA-N 1 0 353.426 2.677 20 5 FFBDRO CC[NH+](CC)C1CCN(S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])CC1 ZINC001317999978 1045188827 /nfs/dbraw/zinc/18/88/27/1045188827.db2.gz DYZHBPUGEZVXDG-UHFFFAOYSA-N 1 0 369.487 2.707 20 5 FFBDRO C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC001320991020 1045507966 /nfs/dbraw/zinc/50/79/66/1045507966.db2.gz SQMMQHNRWZCJKV-KGLIPLIRSA-N 1 0 357.813 2.919 20 5 FFBDRO CO[C@@H]1C[N@H+](Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C[C@H]1O ZINC001324439512 1046032071 /nfs/dbraw/zinc/03/20/71/1046032071.db2.gz WTFIWBNDRVPCNO-GDBMZVCRSA-N 1 0 352.774 2.700 20 5 FFBDRO O=C(Nc1cccc(C[NH+]2CCCC2)c1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001324677093 1046161273 /nfs/dbraw/zinc/16/12/73/1046161273.db2.gz RHBKOEVJSIMXEQ-SFHVURJKSA-N 1 0 355.394 2.863 20 5 FFBDRO O=C(Nc1cccc(CC[NH+]2CCCC2)c1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001324720763 1046186350 /nfs/dbraw/zinc/18/63/50/1046186350.db2.gz MOQZZFJHQRMSFK-IBGZPJMESA-N 1 0 369.421 2.905 20 5 FFBDRO CCN(CCO)CC[NH2+]Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001325614162 1046578920 /nfs/dbraw/zinc/57/89/20/1046578920.db2.gz DMAQSKVKTVROCJ-UHFFFAOYSA-N 1 0 367.833 2.912 20 5 FFBDRO O=C(Nc1ccc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1)C1CC1 ZINC001325872986 1046670943 /nfs/dbraw/zinc/67/09/43/1046670943.db2.gz XHCYMPDSZXGEJR-SFHVURJKSA-N 1 0 355.394 2.767 20 5 FFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H](CO)CC1CCOCC1 ZINC001329307012 1048662459 /nfs/dbraw/zinc/66/24/59/1048662459.db2.gz LYWKVGNIBZDALB-ZFWWWQNUSA-N 1 0 354.422 2.680 20 5 FFBDRO O=[N+]([O-])c1ccc(CN2CC[C@H]3CC[C@@H](C2)[S@]3=O)c(Br)c1 ZINC001329357299 1048682634 /nfs/dbraw/zinc/68/26/34/1048682634.db2.gz OGTPJQNQRLNKFC-BHVCSQLQSA-N 1 0 373.272 2.843 20 5 FFBDRO CC1(C)[C@@H]2[NH2+]CCC[C@@H]2[C@@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC001333221201 1048766286 /nfs/dbraw/zinc/76/62/86/1048766286.db2.gz RQLDIDMIDQZBJI-MAZHCROVSA-N 1 0 351.834 2.684 20 5 FFBDRO COc1ccc([C@@H]2C[NH2+]CCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2)cc1 ZINC001330929224 1049396904 /nfs/dbraw/zinc/39/69/04/1049396904.db2.gz IFELZUIMBPPLHM-KRWDZBQOSA-N 1 0 359.357 2.529 20 5 FFBDRO CCc1nnc(N(C)Cc2ccccc2[N+](=O)[O-])n1CCC[NH+]1CCCC1 ZINC001292841032 1049413134 /nfs/dbraw/zinc/41/31/34/1049413134.db2.gz LHCBMWOEUSMIPL-UHFFFAOYSA-N 1 0 372.473 2.871 20 5 FFBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)CCc3c(Cl)cccc3[N+](=O)[O-])C[C@@H]21 ZINC001341643901 1050271360 /nfs/dbraw/zinc/27/13/60/1050271360.db2.gz PYSXDZMGHODMTI-OSAQELSMSA-N 1 0 351.834 2.767 20 5 FFBDRO [NH3+][C@@H]1CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[C@@H]1C(F)(F)F ZINC001341709336 1050329847 /nfs/dbraw/zinc/32/98/47/1050329847.db2.gz MYEMYVSUKHCCFW-IONNQARKSA-N 1 0 351.712 2.600 20 5 FFBDRO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CC[C@H]1C[NH3+] ZINC001341874459 1050480621 /nfs/dbraw/zinc/48/06/21/1050480621.db2.gz COIRJVQPTUXZHX-GJZGRUSLSA-N 1 0 360.458 2.642 20 5 FFBDRO O=C([C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001340181541 1050587820 /nfs/dbraw/zinc/58/78/20/1050587820.db2.gz AWQYQLNIEKAZEQ-SNRMKQJTSA-N 1 0 372.469 2.554 20 5 FFBDRO C[NH+](C)[C@H]1C[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C12CCC2 ZINC001301550236 1050919164 /nfs/dbraw/zinc/91/91/64/1050919164.db2.gz ZMKRKKTYUFWEER-CABCVRRESA-N 1 0 351.834 2.780 20 5 FFBDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC001343003615 1051619777 /nfs/dbraw/zinc/61/97/77/1051619777.db2.gz XPZIXRHBRPDCEL-ZWKOTPCHSA-N 1 0 360.458 2.796 20 5 FFBDRO CCc1nnc(N(C)CCc2cccc([N+](=O)[O-])c2)n1CC[NH+]1CCCC1 ZINC001306086713 1052012275 /nfs/dbraw/zinc/01/22/75/1052012275.db2.gz KOGBVTAWGKGVMA-UHFFFAOYSA-N 1 0 372.473 2.523 20 5 FFBDRO CCC[N@@H+]1CC[C@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)OC)C1 ZINC001307035997 1052243359 /nfs/dbraw/zinc/24/33/59/1052243359.db2.gz WDMQNXSFRZJTAO-AWEZNQCLSA-N 1 0 374.445 2.583 20 5 FFBDRO Cc1cc(N2CCC[C@@](O)(C[NH+](C)C)C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC001307152903 1052259157 /nfs/dbraw/zinc/25/91/57/1052259157.db2.gz ISEQXHGJIPJJGD-OAHLLOKOSA-N 1 0 361.364 2.815 20 5 FFBDRO COC(=O)C[C@](C)([NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C)C1CC1 ZINC001308017470 1052384230 /nfs/dbraw/zinc/38/42/30/1052384230.db2.gz TVMFIKPVOPASEB-SFHVURJKSA-N 1 0 363.414 2.553 20 5 FFBDRO C[C@@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC001308069219 1052398158 /nfs/dbraw/zinc/39/81/58/1052398158.db2.gz CSASXVVYFNEZGZ-SJKOYZFVSA-N 1 0 370.365 2.959 20 5 FFBDRO CC1(C)CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1c1ccccc1 ZINC001308113294 1052410469 /nfs/dbraw/zinc/41/04/69/1052410469.db2.gz MIFOILXVHXNLHG-ZWKOTPCHSA-N 1 0 358.442 2.668 20 5 FFBDRO CCc1ccc2c(c1)C[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])CC2 ZINC001308173659 1052425973 /nfs/dbraw/zinc/42/59/73/1052425973.db2.gz DCNVKZBIEXOXRV-SFHVURJKSA-N 1 0 356.422 2.955 20 5 FFBDRO O=[N+]([O-])c1cccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)c1 ZINC001308283582 1052441757 /nfs/dbraw/zinc/44/17/57/1052441757.db2.gz ZIFKFDVGXSQFAR-UYAOXDASSA-N 1 0 355.438 2.567 20 5 FFBDRO C[C@@H](NCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCN1C ZINC001308949278 1052524637 /nfs/dbraw/zinc/52/46/37/1052524637.db2.gz XPOVVTKPVNKLNI-YGRLFVJLSA-N 1 0 361.273 2.626 20 5 FFBDRO Cc1nn(C)c(C)c1[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC001308979117 1052530822 /nfs/dbraw/zinc/53/08/22/1052530822.db2.gz RUOWDVZJBKWPNS-SZVBFZGTSA-N 1 0 372.469 2.980 20 5 FFBDRO COc1ccc(NC(=O)N2C[C@]34C[N@H+](C)C[C@@]3(C2)CCCC4)c([N+](=O)[O-])c1 ZINC001346521754 1053067663 /nfs/dbraw/zinc/06/76/63/1053067663.db2.gz IVQBKJWCNUKSKQ-KDURUIRLSA-N 1 0 374.441 2.943 20 5 FFBDRO Cn1c(CCC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)nc2ccccc21 ZINC001335397948 1053337468 /nfs/dbraw/zinc/33/74/68/1053337468.db2.gz MAALBFMENGONRJ-GOSISDBHSA-N 1 0 354.410 2.737 20 5 FFBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001543415177 1071470031 /nfs/dbraw/zinc/47/00/31/1071470031.db2.gz YCTIYLOUBFTZMJ-MSOLQXFVSA-N 1 0 353.422 2.899 20 5 FFBDRO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)[C@@H]2C1 ZINC001337835851 1055047768 /nfs/dbraw/zinc/04/77/68/1055047768.db2.gz XZJJFULYVSVQCC-MRCXROJRSA-N 1 0 357.332 2.684 20 5 FFBDRO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)[C@H]2C1 ZINC001337835852 1055047811 /nfs/dbraw/zinc/04/78/11/1055047811.db2.gz XZJJFULYVSVQCC-WFBYXXMGSA-N 1 0 357.332 2.684 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)CCOc3ccccc3[N+](=O)[O-])C[C@H]2C1 ZINC001337907108 1055095176 /nfs/dbraw/zinc/09/51/76/1055095176.db2.gz KJZFSGYARXTGCC-BZUAXINKSA-N 1 0 361.442 2.552 20 5 FFBDRO CN(C)c1cc(F)c(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000847254989 1055322817 /nfs/dbraw/zinc/32/28/17/1055322817.db2.gz IGNYBJMAUCTYED-CABCVRRESA-N 1 0 364.421 2.547 20 5 FFBDRO Cn1ccnc1C[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC001356532125 1055559073 /nfs/dbraw/zinc/55/90/73/1055559073.db2.gz IJTREQVZQIACIX-MOPGFXCFSA-N 1 0 366.421 2.935 20 5 FFBDRO COc1ccc(NC(=O)NCC[N@@H+]2CCc3ccccc3C2)c([N+](=O)[O-])c1 ZINC001350142185 1055646456 /nfs/dbraw/zinc/64/64/56/1055646456.db2.gz AWRPPAUFAGKGFE-UHFFFAOYSA-N 1 0 370.409 2.783 20 5 FFBDRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3C)n2C)C1 ZINC001338796855 1055824669 /nfs/dbraw/zinc/82/46/69/1055824669.db2.gz GRAOZTROUBEMOY-OAHLLOKOSA-N 1 0 372.473 2.867 20 5 FFBDRO CC[NH+](CC)CC[C@@H](NC(=O)c1c([N+](=O)[O-])c(C)nn1C)c1ccccc1 ZINC001350942767 1056010712 /nfs/dbraw/zinc/01/07/12/1056010712.db2.gz UZOWUCOKDIEVMF-MRXNPFEDSA-N 1 0 373.457 2.840 20 5 FFBDRO COc1ccc([C@@H]2C[NH2+]CCN2C(=O)CCc2cccc([N+](=O)[O-])c2)cc1 ZINC001353114014 1056081539 /nfs/dbraw/zinc/08/15/39/1056081539.db2.gz SDRDGLCTFMVWSW-IBGZPJMESA-N 1 0 369.421 2.709 20 5 FFBDRO [NH3+][C@H](CCNC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC001357969079 1056083514 /nfs/dbraw/zinc/08/35/14/1056083514.db2.gz FFXFDELKOFRMPG-NEWSRXKRSA-N 1 0 353.422 2.775 20 5 FFBDRO COc1cc(C(=O)N2C[C@@H](C[NH3+])Cc3cc(F)ccc32)cc([N+](=O)[O-])c1C ZINC001358148221 1056162875 /nfs/dbraw/zinc/16/28/75/1056162875.db2.gz KQAXGZKOEILLFH-GFCCVEGCSA-N 1 0 373.384 2.829 20 5 FFBDRO CCn1c(-c2ccc([N+](=O)[O-])s2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001339382878 1056398286 /nfs/dbraw/zinc/39/82/86/1056398286.db2.gz RSNHSZRHBRBWOC-UHFFFAOYSA-N 1 0 362.459 2.609 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)c2nnc(-c3csc([N+](=O)[O-])c3)n2C)[C@@H](C)C1 ZINC001339521490 1056545217 /nfs/dbraw/zinc/54/52/17/1056545217.db2.gz LTBFBADJWVICDT-AAEUAGOBSA-N 1 0 364.475 2.618 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H](O)CN1CCc2ccccc2C1 ZINC001474155094 1056576086 /nfs/dbraw/zinc/57/60/86/1056576086.db2.gz CZLSHUGIGNOKKF-LJQANCHMSA-N 1 0 369.465 2.720 20 5 FFBDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2C)C1 ZINC001445448850 1058404812 /nfs/dbraw/zinc/40/48/12/1058404812.db2.gz CVIUGEYSEYOPTG-AWEZNQCLSA-N 1 0 367.421 2.615 20 5 FFBDRO C[C@@H](COC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)[NH+]1CCCCC1 ZINC000847961152 1058524598 /nfs/dbraw/zinc/52/45/98/1058524598.db2.gz SWFQBQGMRSPILX-AWEZNQCLSA-N 1 0 358.398 2.812 20 5 FFBDRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl)[NH+](C)C ZINC001447827711 1058713383 /nfs/dbraw/zinc/71/33/83/1058713383.db2.gz ZCIYLERDIAFIGS-IINYFYTJSA-N 1 0 365.821 2.701 20 5 FFBDRO CC[C@H](C)[N@H+](C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)OC ZINC001545661656 1071829245 /nfs/dbraw/zinc/82/92/45/1071829245.db2.gz DOYKZDRDBQHZMX-ZDUSSCGKSA-N 1 0 362.434 2.581 20 5 FFBDRO Cc1cc(C)cc(C[NH2+]CC2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCCCC2)c1 ZINC001506501613 1059522738 /nfs/dbraw/zinc/52/27/38/1059522738.db2.gz CJGVWWJBCJMCHW-QZTJIDSGSA-N 1 0 359.470 2.877 20 5 FFBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]2CC[NH+]2CCC(C)CC2)n1 ZINC001454753307 1059624508 /nfs/dbraw/zinc/62/45/08/1059624508.db2.gz VUYBBBVMHZYSPI-OAHLLOKOSA-N 1 0 363.462 2.538 20 5 FFBDRO COc1cc(C(=O)N2CCC([C@H]3CCC[NH2+]CC3)CC2)ccc1[N+](=O)[O-] ZINC001355067692 1059853025 /nfs/dbraw/zinc/85/30/25/1059853025.db2.gz UHSSOGUTLDDNJD-AWEZNQCLSA-N 1 0 361.442 2.845 20 5 FFBDRO O=[N+]([O-])c1ccccc1-c1cnn(CN2CC[NH+](C3CCCC3)CC2)c1 ZINC000848474713 1060095723 /nfs/dbraw/zinc/09/57/23/1060095723.db2.gz DZFAXUWCHHFOLT-UHFFFAOYSA-N 1 0 355.442 2.976 20 5 FFBDRO CC(C)(C)[N@@H+]1CCCN(CN2CC[C@H](c3ccc([N+](=O)[O-])cc3)C2=O)CC1 ZINC000848476565 1060098246 /nfs/dbraw/zinc/09/82/46/1060098246.db2.gz AYDGYFSKRMFKIS-GOSISDBHSA-N 1 0 374.485 2.674 20 5 FFBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C1 ZINC000848483143 1060121284 /nfs/dbraw/zinc/12/12/84/1060121284.db2.gz YUPQNXYUUYPKQJ-MAUKXSAKSA-N 1 0 355.442 2.832 20 5 FFBDRO CCn1c(-c2c[nH]c([N+](=O)[O-])c2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001520880080 1060165811 /nfs/dbraw/zinc/16/58/11/1060165811.db2.gz VZLJVCMHFXJYID-UHFFFAOYSA-N 1 0 373.461 2.656 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@H]2CN(c3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)C[C@@H]2C1 ZINC001355361570 1060170378 /nfs/dbraw/zinc/17/03/78/1060170378.db2.gz FVUILEFLQZFOPC-SOUVJXGZSA-N 1 0 358.442 2.646 20 5 FFBDRO CCN(CCC[NH+]1CCCC1)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC001517294472 1060438419 /nfs/dbraw/zinc/43/84/19/1060438419.db2.gz LFMDZXXXQPWBRX-UHFFFAOYSA-N 1 0 350.419 2.943 20 5 FFBDRO CC[C@@H]1Oc2cc([C@H](C)[NH2+]CCn3c(C)ncc3[N+](=O)[O-])ccc2NC1=O ZINC001459847070 1060830952 /nfs/dbraw/zinc/83/09/52/1060830952.db2.gz AJQRPFHJZMXJAP-NHYWBVRUSA-N 1 0 373.413 2.560 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCC[C@@H](C)[NH+]2CCCCC2)cc1F ZINC001475187036 1060988879 /nfs/dbraw/zinc/98/88/79/1060988879.db2.gz XWXNPHWMNBSLOV-CYBMUJFWSA-N 1 0 373.450 2.585 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC001475502701 1061117173 /nfs/dbraw/zinc/11/71/73/1061117173.db2.gz IMXOAENFMMMAIO-MRXNPFEDSA-N 1 0 367.471 2.589 20 5 FFBDRO CCC1([NH+](C)C)CCN(S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)CC1 ZINC001475554476 1061138114 /nfs/dbraw/zinc/13/81/14/1061138114.db2.gz MKZQNPMKBXDIKX-UHFFFAOYSA-N 1 0 369.487 2.707 20 5 FFBDRO CCCCN(c1ccncc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC001475578756 1061147030 /nfs/dbraw/zinc/14/70/30/1061147030.db2.gz SNTGCELPSAOMBR-UHFFFAOYSA-N 1 0 365.411 2.994 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCO[C@H](c2ccccc2)CC1 ZINC001460950446 1061162067 /nfs/dbraw/zinc/16/20/67/1061162067.db2.gz QJOYLRZOCFTFAW-MJGOQNOKSA-N 1 0 372.421 2.798 20 5 FFBDRO O=C(NCCC[NH2+]Cc1c(Br)cccc1[N+](=O)[O-])C1CCC1 ZINC001461277652 1061275211 /nfs/dbraw/zinc/27/52/11/1061275211.db2.gz RGHZNXHKDNQZPJ-UHFFFAOYSA-N 1 0 370.247 2.753 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(C)(C)[NH2+]C(C)(C)C1 ZINC001475927070 1061312141 /nfs/dbraw/zinc/31/21/41/1061312141.db2.gz KBOKMMXUURMTPG-UHFFFAOYSA-N 1 0 350.419 2.988 20 5 FFBDRO CC1(C)CCC[N@@H+]1CCNC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC001476916524 1061509287 /nfs/dbraw/zinc/50/92/87/1061509287.db2.gz SPEIYJSYXTUQAA-UHFFFAOYSA-N 1 0 355.826 2.826 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC001462123339 1061510412 /nfs/dbraw/zinc/51/04/12/1061510412.db2.gz OFZXLWWROVHHNW-RHSMWYFYSA-N 1 0 368.437 2.796 20 5 FFBDRO [NH3+]Cc1ccc2c(c1)N(C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)CCO2 ZINC001522249108 1061804102 /nfs/dbraw/zinc/80/41/02/1061804102.db2.gz LEYUVKRXQXBLRA-JKSUJKDBSA-N 1 0 353.378 2.583 20 5 FFBDRO Cc1cc(C)c(S(=O)(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)cc1[N+](=O)[O-] ZINC001463658006 1062200455 /nfs/dbraw/zinc/20/04/55/1062200455.db2.gz VCOPAEGGULTUTF-INIZCTEOSA-N 1 0 369.487 2.610 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)n1 ZINC001529851139 1062415256 /nfs/dbraw/zinc/41/52/56/1062415256.db2.gz GUEXYNGKSKMZMY-INIZCTEOSA-N 1 0 354.410 2.693 20 5 FFBDRO C[NH+](C)CCc1cccc(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)c1 ZINC001464100654 1062426049 /nfs/dbraw/zinc/42/60/49/1062426049.db2.gz SJRHNZONAUROCN-UHFFFAOYSA-N 1 0 356.426 2.541 20 5 FFBDRO [NH3+]C[C@@]12CC[C@H]1CCCN2C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC001523428892 1062465604 /nfs/dbraw/zinc/46/56/04/1062465604.db2.gz XQQWMSWDGFBXEU-ABAIWWIYSA-N 1 0 368.231 2.701 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)NCc2ccc3c[nH+]cn3c2)cc1SC ZINC001436628472 1062754353 /nfs/dbraw/zinc/75/43/53/1062754353.db2.gz XOHLYUNULRQJEB-UHFFFAOYSA-N 1 0 372.406 2.903 20 5 FFBDRO C[C@H](C(=O)Nc1ccc2c(c1)OCC[NH2+]C2)c1ccc([N+](=O)[O-])cc1F ZINC001575082489 1078103816 /nfs/dbraw/zinc/10/38/16/1078103816.db2.gz PHGHSGVAFFTOFF-NSHDSACASA-N 1 0 359.357 2.958 20 5 FFBDRO CC(C)[C@@](C)(C[NH3+])NCc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001575418335 1078138777 /nfs/dbraw/zinc/13/87/77/1078138777.db2.gz PUIXPTUKXBXPMZ-OAHLLOKOSA-N 1 0 353.810 2.761 20 5 FFBDRO C[C@H](CNC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N)[NH+]1CCCCC1 ZINC001472493538 1065080818 /nfs/dbraw/zinc/08/08/18/1065080818.db2.gz BSEFLBHFCLYKLQ-CYBMUJFWSA-N 1 0 356.426 2.934 20 5 FFBDRO Cn1cc([N+](=O)[O-])c(N2CC[NH+](Cc3cccc4ccccc43)CC2)n1 ZINC001472647819 1065121010 /nfs/dbraw/zinc/12/10/10/1065121010.db2.gz GTBNNXIQTRKQBL-UHFFFAOYSA-N 1 0 351.410 2.804 20 5 FFBDRO CC(C)Oc1ccccc1CNC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC001575813442 1078169288 /nfs/dbraw/zinc/16/92/88/1078169288.db2.gz DSFSVAXBINZJBH-IBGZPJMESA-N 1 0 357.410 2.872 20 5 FFBDRO CCC[C@@H]1CCC[N@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001473260487 1065231497 /nfs/dbraw/zinc/23/14/97/1065231497.db2.gz XLVWUWCNCLAVFC-QGZVFWFLSA-N 1 0 374.485 2.756 20 5 FFBDRO COC(=O)[C@@]1(C)C[N@H+](Cc2ccc([N+](=O)[O-])cc2Br)C[C@@H]1C ZINC001473713753 1065327688 /nfs/dbraw/zinc/32/76/88/1065327688.db2.gz XKXFEJYBPVTRTJ-BONVTDFDSA-N 1 0 371.231 2.988 20 5 FFBDRO COC(=O)[C@]12CCC[C@H]1C[N@H+](Cc1cc(OC)c(F)cc1[N+](=O)[O-])C2 ZINC001473762701 1065349986 /nfs/dbraw/zinc/34/99/86/1065349986.db2.gz YEXZMBGKIKKVTA-SJCJKPOMSA-N 1 0 352.362 2.518 20 5 FFBDRO CS(=O)(=O)CC1(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC001474037336 1065443998 /nfs/dbraw/zinc/44/39/98/1065443998.db2.gz FGOPQGMOSJVBFB-UHFFFAOYSA-N 1 0 364.423 2.769 20 5 FFBDRO Cc1c(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cccc1[N+](=O)[O-] ZINC001474442071 1065524556 /nfs/dbraw/zinc/52/45/56/1065524556.db2.gz UUOCPDFOIGFQEO-UHFFFAOYSA-N 1 0 371.397 2.965 20 5 FFBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@H](CO)Cc2ccc(F)c(F)c2)cc1 ZINC001474487429 1065534040 /nfs/dbraw/zinc/53/40/40/1065534040.db2.gz ONNJKNLTZLQJCO-OAHLLOKOSA-N 1 0 350.365 2.856 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3Cc4ccccc4[C@H]3O)CC2)cc1 ZINC001474746311 1065596758 /nfs/dbraw/zinc/59/67/58/1065596758.db2.gz RGWFKXFEGZRUKM-WOJBJXKFSA-N 1 0 353.422 2.812 20 5 FFBDRO C[C@@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2Br)[C@H]1C[NH3+] ZINC001576705827 1078263167 /nfs/dbraw/zinc/26/31/67/1078263167.db2.gz WHIPGTYDLZLBBO-SKDRFNHKSA-N 1 0 356.220 2.557 20 5 FFBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC001577597317 1078380357 /nfs/dbraw/zinc/38/03/57/1078380357.db2.gz XCKYIEHRIFNGEG-NSHDSACASA-N 1 0 351.350 2.716 20 5 FFBDRO CC[NH2+]CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](C)[C@@H](C)C1 ZINC001577858520 1078409000 /nfs/dbraw/zinc/40/90/00/1078409000.db2.gz XSWVEWZPUHPVGJ-CABCVRRESA-N 1 0 372.473 2.945 20 5 FFBDRO CC[NH2+]CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](C)[C@@H]1C ZINC001577858390 1078409034 /nfs/dbraw/zinc/40/90/34/1078409034.db2.gz SVSBKQIWWRLKPZ-KBPBESRZSA-N 1 0 358.446 2.698 20 5 FFBDRO CC[NH2+]CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](C)[C@@H]1C ZINC001577858391 1078409095 /nfs/dbraw/zinc/40/90/95/1078409095.db2.gz SVSBKQIWWRLKPZ-KGLIPLIRSA-N 1 0 358.446 2.698 20 5 FFBDRO CN(CCC1CC1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCC[NH2+]1 ZINC001578461762 1078476594 /nfs/dbraw/zinc/47/65/94/1078476594.db2.gz ATONSZLWWADNLF-INIZCTEOSA-N 1 0 370.457 2.842 20 5 FFBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1cccn1C1CC[NH2+]CC1 ZINC001578480202 1078478953 /nfs/dbraw/zinc/47/89/53/1078478953.db2.gz ATQXXMBKQIKWFH-UHFFFAOYSA-N 1 0 356.426 2.636 20 5 FFBDRO C[NH2+][C@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC001578590022 1078495955 /nfs/dbraw/zinc/49/59/55/1078495955.db2.gz LZBQRZOJHYASHB-KRWDZBQOSA-N 1 0 355.438 2.819 20 5 FFBDRO COC(=O)c1cc(NC(=O)C[C@@H]2[NH2+]Cc3ccccc32)cc([N+](=O)[O-])c1 ZINC001578859464 1078535276 /nfs/dbraw/zinc/53/52/76/1078535276.db2.gz SCZAFOSYRLYLIV-INIZCTEOSA-N 1 0 355.350 2.555 20 5 FFBDRO COc1ccccc1[C@H]([NH3+])CNC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001579301304 1078613705 /nfs/dbraw/zinc/61/37/05/1078613705.db2.gz JMXBAJIWXXLAKV-YESZJQIVSA-N 1 0 355.394 2.523 20 5 FFBDRO C[C@@H]([NH3+])Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H]2CCC[C@H]21 ZINC001579401870 1078625551 /nfs/dbraw/zinc/62/55/51/1078625551.db2.gz BUDVLTPDPSSASJ-DVOMOZLQSA-N 1 0 356.430 2.579 20 5 FFBDRO [NH3+][C@@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)c1ccc(C(F)(F)F)cc1 ZINC001580113774 1078751623 /nfs/dbraw/zinc/75/16/23/1078751623.db2.gz OINOHEMOCFVZLC-CQSZACIVSA-N 1 0 353.300 2.930 20 5 FFBDRO Nc1c(C(=O)NCc2ccc(C[NH3+])cc2)cc2ccccc2c1[N+](=O)[O-] ZINC001580337658 1078787748 /nfs/dbraw/zinc/78/77/48/1078787748.db2.gz OOXLEDODWYOKHI-UHFFFAOYSA-N 1 0 350.378 2.719 20 5 FFBDRO Cc1cc(-c2nn[nH]n2)cc(C)c1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC001580615043 1078838386 /nfs/dbraw/zinc/83/83/86/1078838386.db2.gz YBWQUPSTJPKSTD-UHFFFAOYSA-N 1 0 352.398 2.724 20 5 FFBDRO O=[N+]([O-])c1cc(CN(Cc2ccccc2)[C@@H]2C[NH2+]C[C@H]2O)ccc1Cl ZINC001580874951 1078881908 /nfs/dbraw/zinc/88/19/08/1078881908.db2.gz QNJPISQMITYXLE-QZTJIDSGSA-N 1 0 361.829 2.583 20 5 FFBDRO CCOc1cc(NC(=O)N2C[C@@H](SC)[C@@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC001563011511 1075096241 /nfs/dbraw/zinc/09/62/41/1075096241.db2.gz FRIVKVUUNWZTAX-DZGCQCFKSA-N 1 0 368.459 2.503 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1C[C@@H]([NH+](C)C)C1(C)C ZINC001557155543 1075816057 /nfs/dbraw/zinc/81/60/57/1075816057.db2.gz NZRLEZJIHLSDHJ-NZVBXONLSA-N 1 0 369.849 2.860 20 5 FFBDRO Cc1cccc(C[N@@H+]2CC[C@@H](NC(=O)Cc3ccccc3[N+](=O)[O-])C2)c1 ZINC001557759607 1075885691 /nfs/dbraw/zinc/88/56/91/1075885691.db2.gz ASWCSHVGHXQJOF-GOSISDBHSA-N 1 0 353.422 2.836 20 5 FFBDRO O=C(Nc1ccc2c[nH+]cn2c1)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 ZINC001558590973 1076041081 /nfs/dbraw/zinc/04/10/81/1076041081.db2.gz LGXSUYPXYWJGHV-UHFFFAOYSA-N 1 0 362.349 2.740 20 5 FFBDRO C[C@@H](CNC(=O)[C@H]1CCN(c2cc[nH+]cc2)C1)c1ccccc1[N+](=O)[O-] ZINC001559039383 1076118913 /nfs/dbraw/zinc/11/89/13/1076118913.db2.gz VICUEIUAJZKGSY-GJZGRUSLSA-N 1 0 354.410 2.736 20 5 FFBDRO CCCC[N@@H+](Cc1c(C)oc(C)c1C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001560164176 1076239919 /nfs/dbraw/zinc/23/99/19/1076239919.db2.gz NYJQEPXKMJXDKD-QGZVFWFLSA-N 1 0 364.446 2.973 20 5 FFBDRO COc1cc(C[NH2+]C[C@H]2CCCCN2C)c([N+](=O)[O-])cc1OCC(F)F ZINC001561035642 1076323645 /nfs/dbraw/zinc/32/36/45/1076323645.db2.gz DVHRPQVRBPJOHG-CYBMUJFWSA-N 1 0 373.400 2.821 20 5 FFBDRO Cc1cc(C)c(S(=O)(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC001561125503 1076336200 /nfs/dbraw/zinc/33/62/00/1076336200.db2.gz OFODQQJLNSKUAQ-IUODEOHRSA-N 1 0 369.487 2.610 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NCC[N@@H+]2CCCC(C)(C)C2)c1 ZINC001561514542 1076387487 /nfs/dbraw/zinc/38/74/87/1076387487.db2.gz UKMBLGDCMDVKIV-UHFFFAOYSA-N 1 0 369.487 2.612 20 5 FFBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)NC(C)(C)CC[NH+]1CCCCCC1 ZINC001562587485 1076506005 /nfs/dbraw/zinc/50/60/05/1076506005.db2.gz GJRSFHSNUXTOTO-UHFFFAOYSA-N 1 0 363.462 2.886 20 5 FFBDRO Cc1c(C)c(C)c(C[N@@H+](C)CCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c(C)c1C ZINC001568480606 1077095651 /nfs/dbraw/zinc/09/56/51/1077095651.db2.gz MVUKMQJPSKKQSZ-IEBWSBKVSA-N 1 0 361.486 2.784 20 5 FFBDRO Cc1ccc2ccccc2c1C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001569400786 1077142096 /nfs/dbraw/zinc/14/20/96/1077142096.db2.gz YNCMZXQNWSLHDZ-SJLPKXTDSA-N 1 0 353.422 2.552 20 5 FFBDRO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1 ZINC001569514690 1077150040 /nfs/dbraw/zinc/15/00/40/1077150040.db2.gz QLIFLJOXEURDGL-OAHLLOKOSA-N 1 0 373.384 2.861 20 5 FFBDRO CC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[NH+](CC/C=C/c2ccccc2)CC1 ZINC001569699887 1077160320 /nfs/dbraw/zinc/16/03/20/1077160320.db2.gz HHWDVODYIBIAAP-OELZETHLSA-N 1 0 371.481 2.973 20 5 FFBDRO CN(CC(C)(C)C[NH2+]Cc1ccc(Cl)cc1F)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001570673373 1077220797 /nfs/dbraw/zinc/22/07/97/1077220797.db2.gz AFETZHLXHANRLI-UKRRQHHQSA-N 1 0 371.840 2.719 20 5 FFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1C ZINC001586485483 1079637993 /nfs/dbraw/zinc/63/79/93/1079637993.db2.gz VJSXACWYRJUOMP-LIRRHRJNSA-N 1 0 368.437 2.939 20 5 FFBDRO C[NH+](C)[C@@H](CNC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1)c1cccs1 ZINC001587074680 1079731490 /nfs/dbraw/zinc/73/14/90/1079731490.db2.gz LRKUKBXBHFKJKJ-LBPRGKRZSA-N 1 0 368.846 2.925 20 5 FFBDRO C[C@@H](Nc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001589978706 1080917644 /nfs/dbraw/zinc/91/76/44/1080917644.db2.gz YMVNGWYYCRFTNL-OLZOCXBDSA-N 1 0 371.445 2.840 20 5 FFBDRO C[C@@H]1CCC[C@@](CNc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])([NH+](C)C)C1 ZINC001590241028 1081115713 /nfs/dbraw/zinc/11/57/13/1081115713.db2.gz FZLDSDDZHQFOTF-SJKOYZFVSA-N 1 0 359.434 2.697 20 5 FFBDRO Nc1c(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc(F)cc1[N+](=O)[O-] ZINC000108625009 206246355 /nfs/dbraw/zinc/24/63/55/206246355.db2.gz ZLZWZHPAGJDRGJ-HNNXBMFYSA-N 1 0 372.400 2.711 20 5 FFBDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000103195072 250139026 /nfs/dbraw/zinc/13/90/26/250139026.db2.gz SWZQBUZBNQJJAQ-NSHDSACASA-N 1 0 355.460 2.785 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[NH+]3CCC4(CC3)OCCO4)o2)c1 ZINC000104666405 250182775 /nfs/dbraw/zinc/18/27/75/250182775.db2.gz QCRLAVSHWVMYRQ-UHFFFAOYSA-N 1 0 359.382 2.631 20 5 FFBDRO Cc1nn(C)c(OCC(F)(F)F)c1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000105448150 250214021 /nfs/dbraw/zinc/21/40/21/250214021.db2.gz KIRUZALKCCHCID-UHFFFAOYSA-N 1 0 372.347 2.910 20 5 FFBDRO C[NH+]1CCC(CCNC(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000120495461 250595695 /nfs/dbraw/zinc/59/56/95/250595695.db2.gz DPEAPDSELRWYCC-UHFFFAOYSA-N 1 0 370.247 2.819 20 5 FFBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000120927960 250643138 /nfs/dbraw/zinc/64/31/38/250643138.db2.gz BEMANMQPGXHJIF-HZMBPMFUSA-N 1 0 370.247 2.770 20 5 FFBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000131723676 251014539 /nfs/dbraw/zinc/01/45/39/251014539.db2.gz KVJAICNDUHAFFM-INIZCTEOSA-N 1 0 356.426 2.705 20 5 FFBDRO CNS(=O)(=O)c1cccc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000131989684 251035056 /nfs/dbraw/zinc/03/50/56/251035056.db2.gz LRLCLMUTRSLONY-CYBMUJFWSA-N 1 0 363.439 2.662 20 5 FFBDRO COc1cc(C[NH2+]C[C@@]2(O)CCc3ccccc32)c([N+](=O)[O-])cc1OC ZINC000132161684 251051734 /nfs/dbraw/zinc/05/17/34/251051734.db2.gz NOBBKSLBLQWQCH-IBGZPJMESA-N 1 0 358.394 2.536 20 5 FFBDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000272390001 252025985 /nfs/dbraw/zinc/02/59/85/252025985.db2.gz UEUGYHGFTCBHCK-GFCCVEGCSA-N 1 0 363.443 2.546 20 5 FFBDRO CCc1n[nH]c(C(=O)N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000272417440 252032948 /nfs/dbraw/zinc/03/29/48/252032948.db2.gz GSTKPRZBGBSCDU-ZFWWWQNUSA-N 1 0 371.441 2.521 20 5 FFBDRO COc1cc(CNC[C@@H](C)[N@H+](C)C2CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272525879 252060037 /nfs/dbraw/zinc/06/00/37/252060037.db2.gz YYCZLQYCIOPSSV-LLVKDONJSA-N 1 0 373.400 2.820 20 5 FFBDRO CC[N@@H+]1CCCC[C@H]1CN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272584333 252074245 /nfs/dbraw/zinc/07/42/45/252074245.db2.gz YRAWSUXZBQFIFI-ROUUACIJSA-N 1 0 357.458 2.882 20 5 FFBDRO COc1ccc(NC(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000272887269 252157567 /nfs/dbraw/zinc/15/75/67/252157567.db2.gz XUNQKSVYUCAIIH-CQSZACIVSA-N 1 0 362.430 2.799 20 5 FFBDRO Cc1nc(NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000273075143 252209111 /nfs/dbraw/zinc/20/91/11/252209111.db2.gz GIAQYSOPOSMGMN-QGZVFWFLSA-N 1 0 356.426 2.867 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)c1 ZINC000273090051 252213445 /nfs/dbraw/zinc/21/34/45/252213445.db2.gz ISLIMYSJCUUSHS-INIZCTEOSA-N 1 0 357.410 2.782 20 5 FFBDRO O=[N+]([O-])c1ccc(NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000273177563 252241717 /nfs/dbraw/zinc/24/17/17/252241717.db2.gz LIEFVDFVCNBUNE-MRXNPFEDSA-N 1 0 372.381 2.682 20 5 FFBDRO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-] ZINC000273160886 252237023 /nfs/dbraw/zinc/23/70/23/252237023.db2.gz NOWDTKULKAXVGI-QWHCGFSZSA-N 1 0 361.354 2.594 20 5 FFBDRO [NH3+]C[C@H]1CN(C(=O)/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])s2)CCO1 ZINC000274839418 255925622 /nfs/dbraw/zinc/92/56/22/255925622.db2.gz WEYBOWLDHHYVBZ-CFNZNRNTSA-N 1 0 373.434 2.523 20 5 FFBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000285731602 257001896 /nfs/dbraw/zinc/00/18/96/257001896.db2.gz XOSMOBABGLRCCN-GXTWGEPZSA-N 1 0 366.849 2.745 20 5 FFBDRO O=C(CC[N@@H+]1CCOCC12CCCC2)Nc1cc([N+](=O)[O-])ccc1F ZINC000275593974 256027411 /nfs/dbraw/zinc/02/74/11/256027411.db2.gz JWCFBFFJUNGZRK-UHFFFAOYSA-N 1 0 351.378 2.708 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C1CCN(c2cc(C)[nH]n2)CC1 ZINC000276077151 256070467 /nfs/dbraw/zinc/07/04/67/256070467.db2.gz TXBFTTDGAFADLG-UHFFFAOYSA-N 1 0 359.430 2.784 20 5 FFBDRO COC(=O)c1cnc(N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c([N+](=O)[O-])c1 ZINC000276690049 256122052 /nfs/dbraw/zinc/12/20/52/256122052.db2.gz HBGCPSHNAVSIPV-STQMWFEESA-N 1 0 362.430 2.841 20 5 FFBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H]([NH+](C)C)CC2)cc1OC ZINC000277153021 256166115 /nfs/dbraw/zinc/16/61/15/256166115.db2.gz IQXXVNFVJCHLGD-ZDUSSCGKSA-N 1 0 365.430 2.558 20 5 FFBDRO C[NH+](C)Cc1ccsc1C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278243468 256291096 /nfs/dbraw/zinc/29/10/96/256291096.db2.gz WMBYGARXPGSVQW-UHFFFAOYSA-N 1 0 359.411 2.524 20 5 FFBDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000278363602 256304049 /nfs/dbraw/zinc/30/40/49/256304049.db2.gz FPRVBLMGLINZAX-GFCCVEGCSA-N 1 0 367.833 2.574 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CCN2CC[C@H](CC(F)(F)F)C2)cc1 ZINC000278582878 256327820 /nfs/dbraw/zinc/32/78/20/256327820.db2.gz CTFOXMSOMHJHRB-LLVKDONJSA-N 1 0 366.361 2.643 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H](NC1CC[NH+]([C@@H]3CCC[C@@H]3O)CC1)CCC2 ZINC000278688331 256338590 /nfs/dbraw/zinc/33/85/90/256338590.db2.gz KFRIXKDTCKGTKL-AQNXPRMDSA-N 1 0 359.470 2.940 20 5 FFBDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000278333607 256301030 /nfs/dbraw/zinc/30/10/30/256301030.db2.gz BKCPGRKJVKNQLG-GFCCVEGCSA-N 1 0 367.833 2.574 20 5 FFBDRO COc1ccc([C@H](C[NH+](C)C)NC(=O)c2ccc([N+](=O)[O-])c(OC)c2)cc1 ZINC000285865964 257008538 /nfs/dbraw/zinc/00/85/38/257008538.db2.gz BFWJXYXMUMRTGW-INIZCTEOSA-N 1 0 373.409 2.645 20 5 FFBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1c(Br)cncc1[N+](=O)[O-] ZINC000286310952 257030506 /nfs/dbraw/zinc/03/05/06/257030506.db2.gz KCXZMHQNVFDNKH-GHMZBOCLSA-N 1 0 355.236 2.815 20 5 FFBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N(C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000287075853 257070690 /nfs/dbraw/zinc/07/06/90/257070690.db2.gz NYPDJCSPSWZMES-MRXNPFEDSA-N 1 0 362.474 2.757 20 5 FFBDRO O=[N+]([O-])c1cc2c(ncnc2NCC2([NH+]3CCCC3)CCOCC2)s1 ZINC000288070034 257145056 /nfs/dbraw/zinc/14/50/56/257145056.db2.gz VGYMMKLGCDBHEF-UHFFFAOYSA-N 1 0 363.443 2.656 20 5 FFBDRO CCC[C@]1(CO)CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000288852270 257232391 /nfs/dbraw/zinc/23/23/91/257232391.db2.gz PFZRWRCSSUUHEF-KRWDZBQOSA-N 1 0 353.394 2.547 20 5 FFBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000289900149 257305627 /nfs/dbraw/zinc/30/56/27/257305627.db2.gz UHHBJUVXFQEJGN-HOTGVXAUSA-N 1 0 372.469 2.513 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])c(-c2nc([C@@H]3C[N@@H+]4CCC[C@H]4CO3)no2)c1 ZINC000289969630 257309169 /nfs/dbraw/zinc/30/91/69/257309169.db2.gz ZZAMAFLBWWOUBQ-NHYWBVRUSA-N 1 0 360.370 2.579 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C)[C@@H](C)C1 ZINC000290044478 257312746 /nfs/dbraw/zinc/31/27/46/257312746.db2.gz ZYIJXYFLNIGFKA-XJKSGUPXSA-N 1 0 358.446 2.557 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]4C3)cc2[N+](=O)[O-])CC1 ZINC000290254776 257322299 /nfs/dbraw/zinc/32/22/99/257322299.db2.gz WVHSQSVTMQSNHG-IAGOWNOFSA-N 1 0 372.469 2.513 20 5 FFBDRO C[C@@H]([NH2+]C[C@@](C)(O)CNC(=O)OC(C)(C)C)c1ccccc1[N+](=O)[O-] ZINC000289584940 257288516 /nfs/dbraw/zinc/28/85/16/257288516.db2.gz RQXLLEPPAKNVHI-SJKOYZFVSA-N 1 0 353.419 2.521 20 5 FFBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000290546226 257340115 /nfs/dbraw/zinc/34/01/15/257340115.db2.gz ORIGTMHQYFMPFY-RISCZKNCSA-N 1 0 362.386 2.510 20 5 FFBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1cc(OC)c(OCC)cc1[N+](=O)[O-] ZINC000290842182 257360408 /nfs/dbraw/zinc/36/04/08/257360408.db2.gz CIMGIHHTSQKGSW-CYBMUJFWSA-N 1 0 367.446 2.852 20 5 FFBDRO O=[N+]([O-])c1cc(C[N@H+]2CC[C@](CO)(c3ccccc3)C2)c2c(c1)COCO2 ZINC000291020391 257374008 /nfs/dbraw/zinc/37/40/08/257374008.db2.gz AFPJQSSTCDTEPW-FQEVSTJZSA-N 1 0 370.405 2.597 20 5 FFBDRO O=C(CCC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000295768320 257646432 /nfs/dbraw/zinc/64/64/32/257646432.db2.gz IHTSKMOFRCRGNF-HNNXBMFYSA-N 1 0 359.426 2.502 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2noc(C[NH2+][C@@H]3[C@@H]4CCO[C@H]4C34CCC4)n2)cc1 ZINC000296099363 257670860 /nfs/dbraw/zinc/67/08/60/257670860.db2.gz QWUQFFCCUWQRIA-NUEKZKHPSA-N 1 0 356.382 2.692 20 5 FFBDRO O=C(NC1CC[NH+](C2CCC2)CC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000297319912 257816368 /nfs/dbraw/zinc/81/63/68/257816368.db2.gz ZCUQJLOEXNCVNX-UHFFFAOYSA-N 1 0 372.469 2.942 20 5 FFBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CC[NH+](CC2CCCCC2)CC1 ZINC000301085968 258024053 /nfs/dbraw/zinc/02/40/53/258024053.db2.gz JPTZAUNBTDDIME-UHFFFAOYSA-N 1 0 360.458 2.657 20 5 FFBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000301091791 258024906 /nfs/dbraw/zinc/02/49/06/258024906.db2.gz IALRIOFLUNJWJL-KRWDZBQOSA-N 1 0 360.389 2.808 20 5 FFBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000301126130 258027242 /nfs/dbraw/zinc/02/72/42/258027242.db2.gz VUPUYEAVIXEKEU-GFCCVEGCSA-N 1 0 374.466 2.875 20 5 FFBDRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000301131399 258027789 /nfs/dbraw/zinc/02/77/89/258027789.db2.gz RVPADTCFRFRUID-GJZGRUSLSA-N 1 0 350.438 2.729 20 5 FFBDRO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@@]2(C)CCCO)c([N+](=O)[O-])c1 ZINC000299727289 258020707 /nfs/dbraw/zinc/02/07/07/258020707.db2.gz VESNAXOUJOREPI-SFHVURJKSA-N 1 0 365.430 2.559 20 5 FFBDRO CCc1nn(C)c(N2CC[N@H+](Cc3ccccc3)[C@H](CC)C2)c1[N+](=O)[O-] ZINC000302144428 258091066 /nfs/dbraw/zinc/09/10/66/258091066.db2.gz GXEXDLJHIKUDKD-MRXNPFEDSA-N 1 0 357.458 2.992 20 5 FFBDRO CC1=CC[N@H+](CCNc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CC1 ZINC000302172746 258093051 /nfs/dbraw/zinc/09/30/51/258093051.db2.gz VCEWHQOWQFOYJE-UHFFFAOYSA-N 1 0 358.442 2.895 20 5 FFBDRO Cc1cc(NCCNC(=O)c2cccnc2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302194441 258093979 /nfs/dbraw/zinc/09/39/79/258093979.db2.gz SBZQOWWIDQGLEE-UHFFFAOYSA-N 1 0 351.366 2.688 20 5 FFBDRO C[N@H+](CCNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])C1CCCCC1 ZINC000302194934 258094112 /nfs/dbraw/zinc/09/41/12/258094112.db2.gz SFSFPXFCVQNBOC-UHFFFAOYSA-N 1 0 361.489 2.736 20 5 FFBDRO C[C@H](O)C[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)[C@H](C)C1 ZINC000302438389 258102126 /nfs/dbraw/zinc/10/21/26/258102126.db2.gz MRQSALZXLUXKPU-CABCVRRESA-N 1 0 356.426 2.548 20 5 FFBDRO Cc1cc(N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000302476625 258103433 /nfs/dbraw/zinc/10/34/33/258103433.db2.gz FJAJJLSUBWGNLF-CQSZACIVSA-N 1 0 358.442 2.733 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000301459966 258050841 /nfs/dbraw/zinc/05/08/41/258050841.db2.gz DFOKRBJHJZENDT-INIZCTEOSA-N 1 0 355.442 2.921 20 5 FFBDRO Cc1cc(NC[C@@H](C)[NH+]2CCN(c3ccccc3)CC2)ncc1[N+](=O)[O-] ZINC000301459894 258050905 /nfs/dbraw/zinc/05/09/05/258050905.db2.gz YGXXIXLJRYRVQZ-MRXNPFEDSA-N 1 0 355.442 2.921 20 5 FFBDRO C[C@@H]1C[N@@H+](CCCNc2c(Br)cncc2[N+](=O)[O-])C[C@H](C)O1 ZINC000301829517 258069572 /nfs/dbraw/zinc/06/95/72/258069572.db2.gz GVVTZSBSXJFXSI-PHIMTYICSA-N 1 0 373.251 2.664 20 5 FFBDRO C[C@H]1C[C@H](C)C[NH+](CCCNc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C1 ZINC000301883661 258072549 /nfs/dbraw/zinc/07/25/49/258072549.db2.gz LEINFLFTARUVAS-KBPBESRZSA-N 1 0 369.487 2.778 20 5 FFBDRO C[C@H]1C[C@@H](NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000330836933 258171619 /nfs/dbraw/zinc/17/16/19/258171619.db2.gz TWHIDYZCBKOKAP-JQWIXIFHSA-N 1 0 357.863 2.939 20 5 FFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000331987704 258208809 /nfs/dbraw/zinc/20/88/09/258208809.db2.gz AEHZZTBHUUYLRA-OAHLLOKOSA-N 1 0 360.458 2.872 20 5 FFBDRO COc1cc(CN2C[C@@H](SC)[C@@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])cc1F ZINC000332084503 258213412 /nfs/dbraw/zinc/21/34/12/258213412.db2.gz PUJGYSJWMUZYFR-DOTOQJQBSA-N 1 0 369.462 2.754 20 5 FFBDRO O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000332298148 258223956 /nfs/dbraw/zinc/22/39/56/258223956.db2.gz HIYPFMFISOHWGF-CYBMUJFWSA-N 1 0 369.368 2.897 20 5 FFBDRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000332343491 258226136 /nfs/dbraw/zinc/22/61/36/258226136.db2.gz SRCLUXCLRCDYFD-KBPBESRZSA-N 1 0 368.231 2.714 20 5 FFBDRO Cn1ccnc1[C@H]1CCCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC000373055936 512151160 /nfs/dbraw/zinc/15/11/60/512151160.db2.gz GLOPGMLBBDCUQL-ZDUSSCGKSA-N 1 0 355.398 2.597 20 5 FFBDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000064957582 506244137 /nfs/dbraw/zinc/24/41/37/506244137.db2.gz DBUQWXPMBCRISQ-ZIAGYGMSSA-N 1 0 369.487 2.630 20 5 FFBDRO CCc1ccc([C@@H](CNC(=O)COc2cccc([N+](=O)[O-])c2)[NH+](C)C)cc1 ZINC000032735066 506286905 /nfs/dbraw/zinc/28/69/05/506286905.db2.gz RCEWPCNGTOPOAE-LJQANCHMSA-N 1 0 371.437 2.955 20 5 FFBDRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000065747610 506356880 /nfs/dbraw/zinc/35/68/80/506356880.db2.gz ZOWFRRSLTQDPBC-UHFFFAOYSA-N 1 0 370.409 2.666 20 5 FFBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000371226897 512277269 /nfs/dbraw/zinc/27/72/69/512277269.db2.gz CYONMJNTCGVXEY-YJBOKZPZSA-N 1 0 360.458 2.778 20 5 FFBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000054764422 506618021 /nfs/dbraw/zinc/61/80/21/506618021.db2.gz HGKHNRKLZIYDMB-UHFFFAOYSA-N 1 0 356.426 2.868 20 5 FFBDRO Cc1c(NC(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000043347343 506736966 /nfs/dbraw/zinc/73/69/66/506736966.db2.gz VUYHBWLYUUJTGI-CHWSQXEVSA-N 1 0 350.419 2.524 20 5 FFBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000055416301 506747017 /nfs/dbraw/zinc/74/70/17/506747017.db2.gz PLFSVVVUOKELRB-INIZCTEOSA-N 1 0 363.461 2.755 20 5 FFBDRO COc1cc(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c([N+](=O)[O-])cc1OC ZINC000010812636 506755110 /nfs/dbraw/zinc/75/51/10/506755110.db2.gz XAJKIWQEMGHMIO-UHFFFAOYSA-N 1 0 365.430 2.651 20 5 FFBDRO C[N@@H+](Cc1ccc(F)c(F)c1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000044380880 506840490 /nfs/dbraw/zinc/84/04/90/506840490.db2.gz LAIAKCOEGLTNON-CQSZACIVSA-N 1 0 352.337 2.745 20 5 FFBDRO Cn1ccnc1C(=O)c1ccc(NCCC[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000067382992 506854120 /nfs/dbraw/zinc/85/41/20/506854120.db2.gz IQDQYWISDUNBIW-UHFFFAOYSA-N 1 0 371.441 2.847 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[NH+](CCC(C)(C)C)CC1 ZINC000055936306 506891437 /nfs/dbraw/zinc/89/14/37/506891437.db2.gz MTUFOPJGJBVCSH-UHFFFAOYSA-N 1 0 362.474 2.896 20 5 FFBDRO C[NH+](C)[C@@H](CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)Cc1ccccc1 ZINC000056203384 506961058 /nfs/dbraw/zinc/96/10/58/506961058.db2.gz HNXABIZJUMAAHA-MRXNPFEDSA-N 1 0 366.421 2.979 20 5 FFBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000056459760 507018303 /nfs/dbraw/zinc/01/83/03/507018303.db2.gz DFBHOBZMYVYMDH-INIZCTEOSA-N 1 0 358.398 2.824 20 5 FFBDRO CC[NH+](CC)CCOc1ccc(CNC(=O)c2ccc([N+](=O)[O-])o2)cc1 ZINC000045913623 507044593 /nfs/dbraw/zinc/04/45/93/507044593.db2.gz WKMMGYXBDLARLE-UHFFFAOYSA-N 1 0 361.398 2.838 20 5 FFBDRO C[NH+](C)C[C@@H](NC(=O)CCNc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000015583771 507049609 /nfs/dbraw/zinc/04/96/09/507049609.db2.gz ZGTCDVRVQHZVHT-QGZVFWFLSA-N 1 0 356.426 2.816 20 5 FFBDRO CCCCCNC(=O)C1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000046065169 507070213 /nfs/dbraw/zinc/07/02/13/507070213.db2.gz DPJNHDPBTHXPAC-UHFFFAOYSA-N 1 0 363.458 2.992 20 5 FFBDRO C[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2Cl)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000371305409 512318489 /nfs/dbraw/zinc/31/84/89/512318489.db2.gz YRCVWEZLELBQDW-KBXCAEBGSA-N 1 0 366.893 2.706 20 5 FFBDRO O=C(COc1ccccc1[N+](=O)[O-])NCc1cccc(C[NH+]2CCCC2)c1 ZINC000046374414 507126816 /nfs/dbraw/zinc/12/68/16/507126816.db2.gz LJTQQNFCPFVVOT-UHFFFAOYSA-N 1 0 369.421 2.886 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)NC3CC[NH+](C)CC3)cc2[N+](=O)[O-])C1 ZINC000023751373 507372222 /nfs/dbraw/zinc/37/22/22/507372222.db2.gz QZWLXOSTTATREB-CQSZACIVSA-N 1 0 360.458 2.655 20 5 FFBDRO C[NH+](C)Cc1ccc(CNC(=O)NCCOc2ccc([N+](=O)[O-])cc2)cc1 ZINC000069044901 507388911 /nfs/dbraw/zinc/38/89/11/507388911.db2.gz SQTYNDVACFNAAB-UHFFFAOYSA-N 1 0 372.425 2.535 20 5 FFBDRO Cc1ccc(S(=O)(=O)N2CCC[C@H]2C[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000069124247 507414570 /nfs/dbraw/zinc/41/45/70/507414570.db2.gz NDBSOTFAHVIXPB-HNNXBMFYSA-N 1 0 367.471 2.542 20 5 FFBDRO Cc1ccc([C@@H]([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)c2ccccn2)cc1 ZINC000369303584 512343524 /nfs/dbraw/zinc/34/35/24/512343524.db2.gz QHUIVSCFQKXENI-HXUWFJFHSA-N 1 0 364.405 2.839 20 5 FFBDRO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1ccc2c(c1)OCCO2 ZINC000026227870 507569952 /nfs/dbraw/zinc/56/99/52/507569952.db2.gz IBACSMNTBCFGFB-UHFFFAOYSA-N 1 0 371.393 2.827 20 5 FFBDRO COC[C@@](C)(O)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000069912671 507581948 /nfs/dbraw/zinc/58/19/48/507581948.db2.gz IKYBZMDPDJXHAJ-INIZCTEOSA-N 1 0 354.790 2.995 20 5 FFBDRO C[C@@H](CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)[N@@H+]1CCCC[C@H]1C ZINC000049749594 507636360 /nfs/dbraw/zinc/63/63/60/507636360.db2.gz RHYXEHMYWZMXIX-CABCVRRESA-N 1 0 371.441 2.773 20 5 FFBDRO Cc1ccccc1OCC[N@@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000027700909 507678737 /nfs/dbraw/zinc/67/87/37/507678737.db2.gz IHALLOJGAWKNBS-KRWDZBQOSA-N 1 0 360.410 2.654 20 5 FFBDRO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000051049485 507728042 /nfs/dbraw/zinc/72/80/42/507728042.db2.gz PZXFFLJUADVAOK-CVEARBPZSA-N 1 0 363.458 2.990 20 5 FFBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])Cc1ccccc1N1CCOCC1 ZINC000051500931 507773256 /nfs/dbraw/zinc/77/32/56/507773256.db2.gz UQRLBEJIVGCHSC-UHFFFAOYSA-N 1 0 371.437 2.942 20 5 FFBDRO CC[NH+]1CCC(NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000064419669 507796032 /nfs/dbraw/zinc/79/60/32/507796032.db2.gz XOJLNWVIBOOULY-NSHDSACASA-N 1 0 355.822 2.616 20 5 FFBDRO O=C(Nc1cccc(C[NH+]2CCCCC2)c1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000031620502 507820717 /nfs/dbraw/zinc/82/07/17/507820717.db2.gz VFVLNTIMWGNHOX-UHFFFAOYSA-N 1 0 356.382 2.521 20 5 FFBDRO Cc1cnn(CCCCC[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000072665107 507840086 /nfs/dbraw/zinc/84/00/86/507840086.db2.gz GWRQZEACZPGBLE-MRXNPFEDSA-N 1 0 358.446 2.851 20 5 FFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3cnn(-c4ccccc4)c3)C2)nc1 ZINC000072665023 507840299 /nfs/dbraw/zinc/84/02/99/507840299.db2.gz KGHAMPHJKWSART-MRXNPFEDSA-N 1 0 364.409 2.862 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000072719694 507847320 /nfs/dbraw/zinc/84/73/20/507847320.db2.gz INAQXYNBIBKBFW-INIZCTEOSA-N 1 0 360.458 2.650 20 5 FFBDRO CCOC[C@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000072975838 507879048 /nfs/dbraw/zinc/87/90/48/507879048.db2.gz ADGISWDLSLPMGN-AWEZNQCLSA-N 1 0 365.430 2.681 20 5 FFBDRO CS(=O)(=O)c1ccc(N[C@@H]2CC[N@H+](CC3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000078526828 507879963 /nfs/dbraw/zinc/87/99/63/507879963.db2.gz ZCIWJAHQFPULLA-CQSZACIVSA-N 1 0 367.471 2.675 20 5 FFBDRO CCC[N@H+](C)C[C@@H]1CCN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C1 ZINC000078562478 507883693 /nfs/dbraw/zinc/88/36/93/507883693.db2.gz MCIZSJMCNNQZHD-AWEZNQCLSA-N 1 0 360.458 2.655 20 5 FFBDRO C[N@@H+]1CCC[C@@H](CNC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000108505994 507899667 /nfs/dbraw/zinc/89/96/67/507899667.db2.gz LGGKOUGXMJQRDB-JTQLQIEISA-N 1 0 358.345 2.660 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000090148103 507911490 /nfs/dbraw/zinc/91/14/90/507911490.db2.gz DVMIPUYWMYIWEU-UHFFFAOYSA-N 1 0 354.410 2.945 20 5 FFBDRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000108783056 507918008 /nfs/dbraw/zinc/91/80/08/507918008.db2.gz YNWKCFFYWLSCOE-HNNXBMFYSA-N 1 0 372.469 2.799 20 5 FFBDRO Cc1ccc(OC2CC[NH+](CCn3cc([N+](=O)[O-])ccc3=O)CC2)cc1 ZINC000090549716 507926918 /nfs/dbraw/zinc/92/69/18/507926918.db2.gz KNDGPYYIWWZLBZ-UHFFFAOYSA-N 1 0 357.410 2.608 20 5 FFBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+](Cc1ccccc1)CC1(O)CCCC1 ZINC000090552449 507927611 /nfs/dbraw/zinc/92/76/11/507927611.db2.gz DCXMQARRDOTEPD-UHFFFAOYSA-N 1 0 371.437 2.564 20 5 FFBDRO C[C@H]1CCC[N@H+](CCCCNC(=O)CN(C)c2ccccc2[N+](=O)[O-])C1 ZINC000079577095 507977474 /nfs/dbraw/zinc/97/74/74/507977474.db2.gz UTSJBZNBAGUWKP-INIZCTEOSA-N 1 0 362.474 2.659 20 5 FFBDRO CC(=O)NCCC[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000074231198 508000756 /nfs/dbraw/zinc/00/07/56/508000756.db2.gz NYDCDHGQQNRYBP-UHFFFAOYSA-N 1 0 356.426 2.979 20 5 FFBDRO C[C@@H](c1ccncc1)[N@H+](C)CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000091990417 508031373 /nfs/dbraw/zinc/03/13/73/508031373.db2.gz QYAXJHLXWCWFBF-ZDUSSCGKSA-N 1 0 356.382 2.981 20 5 FFBDRO Cc1cc(Sc2nnc([C@@H]3CCC[NH2+]C3)n2C2CC2)ncc1[N+](=O)[O-] ZINC000074764259 508053063 /nfs/dbraw/zinc/05/30/63/508053063.db2.gz QECREYNDOVXIGL-LLVKDONJSA-N 1 0 360.443 2.843 20 5 FFBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)C1 ZINC000081333788 508163519 /nfs/dbraw/zinc/16/35/19/508163519.db2.gz XGXQRHPEJXOUEZ-CYBMUJFWSA-N 1 0 364.402 2.615 20 5 FFBDRO C[N@@H+]1CCCC12CCN(Cc1nc(-c3cccc([N+](=O)[O-])c3)no1)CC2 ZINC000369382770 512382791 /nfs/dbraw/zinc/38/27/91/512382791.db2.gz FGYDFROMYKBMLX-UHFFFAOYSA-N 1 0 357.414 2.705 20 5 FFBDRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000113270675 508256812 /nfs/dbraw/zinc/25/68/12/508256812.db2.gz FRRPTJMWCHDFIZ-RHSMWYFYSA-N 1 0 356.426 2.961 20 5 FFBDRO C[C@H]1CCCN(c2ccc(C(=O)NC[C@@H](C3CC3)[NH+](C)C)cc2[N+](=O)[O-])C1 ZINC000076925267 508263248 /nfs/dbraw/zinc/26/32/48/508263248.db2.gz IJLSHVQJKCNAKZ-LIRRHRJNSA-N 1 0 374.485 2.901 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000085634003 508314480 /nfs/dbraw/zinc/31/44/80/508314480.db2.gz OVDAVHXHOUGSJM-UHFFFAOYSA-N 1 0 355.398 2.961 20 5 FFBDRO COc1cccc([C@@H](CNC(=O)CCc2cccc([N+](=O)[O-])c2)[NH+](C)C)c1 ZINC000087007587 508331600 /nfs/dbraw/zinc/33/16/00/508331600.db2.gz OJMDVSMTKZNAID-LJQANCHMSA-N 1 0 371.437 2.955 20 5 FFBDRO C[NH+](C)[C@H](CNC(=O)CCOc1ccccc1[N+](=O)[O-])c1cccs1 ZINC000077559979 508334817 /nfs/dbraw/zinc/33/48/17/508334817.db2.gz ADWRFNQNLFCDCZ-CQSZACIVSA-N 1 0 363.439 2.844 20 5 FFBDRO O=C(NCC[NH+]1CCCCCC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000106006798 508387835 /nfs/dbraw/zinc/38/78/35/508387835.db2.gz MXKVHYYOSWFHSM-UHFFFAOYSA-N 1 0 360.458 2.801 20 5 FFBDRO Cc1cccc(NCC[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)n1 ZINC000133479353 508405444 /nfs/dbraw/zinc/40/54/44/508405444.db2.gz TWNXASYKPJFLNF-UHFFFAOYSA-N 1 0 366.425 2.900 20 5 FFBDRO C[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1n1ccnc1 ZINC000156477457 508426451 /nfs/dbraw/zinc/42/64/51/508426451.db2.gz OQFHSYQTYHQBBW-YOEHRIQHSA-N 1 0 357.414 2.703 20 5 FFBDRO COc1cccc([C@H](CNC(=O)c2cc(C)cc([N+](=O)[O-])c2)[NH+](C)C)c1 ZINC000121873507 508437443 /nfs/dbraw/zinc/43/74/43/508437443.db2.gz JRCDYEDLUUQEHY-SFHVURJKSA-N 1 0 357.410 2.945 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000116280315 508494779 /nfs/dbraw/zinc/49/47/79/508494779.db2.gz HAFSVFRVXGOBBF-AWEZNQCLSA-N 1 0 353.850 2.792 20 5 FFBDRO COc1cc(CN2CCC(C[NH+]3CCCC3)CC2)c([N+](=O)[O-])cc1OC ZINC000134209660 508508107 /nfs/dbraw/zinc/50/81/07/508508107.db2.gz JSMQXRCECDUEGN-UHFFFAOYSA-N 1 0 363.458 2.920 20 5 FFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN[C@H](c2cccnc2)C1 ZINC000367237493 512401234 /nfs/dbraw/zinc/40/12/34/512401234.db2.gz LAQXUBRTKFHXMA-DYVFJYSZSA-N 1 0 372.450 2.644 20 5 FFBDRO Cc1ccc(C(=O)N(CC[NH+](C)C)Cc2cccc(O)c2)cc1[N+](=O)[O-] ZINC000157260178 508543803 /nfs/dbraw/zinc/54/38/03/508543803.db2.gz TWNINCJSUGSJTP-UHFFFAOYSA-N 1 0 357.410 2.813 20 5 FFBDRO C[C@H]1C[C@@H](N(C)C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000122947116 508611686 /nfs/dbraw/zinc/61/16/86/508611686.db2.gz SAQNOUSMISBFCF-JSGCOSHPSA-N 1 0 369.849 2.958 20 5 FFBDRO CC[C@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCN1CC(F)F ZINC000153634991 508612839 /nfs/dbraw/zinc/61/28/39/508612839.db2.gz QCFHETIVNBSFEC-AWEZNQCLSA-N 1 0 370.400 2.585 20 5 FFBDRO C[C@H]1C[C@@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C[N@@H+]1C1CC1 ZINC000123098313 508635673 /nfs/dbraw/zinc/63/56/73/508635673.db2.gz CQSMOVYZORALHT-DZGCQCFKSA-N 1 0 358.442 2.894 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)[C@H](C)C1 ZINC000135650064 508637118 /nfs/dbraw/zinc/63/71/18/508637118.db2.gz CVIPXINHGGMJOJ-FZKQIMNGSA-N 1 0 358.442 2.807 20 5 FFBDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2[nH]ncc2[N+](=O)[O-])cc1 ZINC000136008004 508664967 /nfs/dbraw/zinc/66/49/67/508664967.db2.gz RKBPKETVTAQYGJ-ZDUSSCGKSA-N 1 0 357.414 2.622 20 5 FFBDRO CC[NH+]1CCC(n2nccc2NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000136151802 508674618 /nfs/dbraw/zinc/67/46/18/508674618.db2.gz CNBULGZQZXMGOH-UHFFFAOYSA-N 1 0 373.413 2.709 20 5 FFBDRO C[NH+](C)CCn1ccc(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)n1 ZINC000129073210 508679036 /nfs/dbraw/zinc/67/90/36/508679036.db2.gz VMBJJPWVUZVNPI-UHFFFAOYSA-N 1 0 371.319 2.624 20 5 FFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000118958709 508695725 /nfs/dbraw/zinc/69/57/25/508695725.db2.gz ZSWZCAYWMOWPDA-QAPCUYQASA-N 1 0 368.437 2.915 20 5 FFBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](Cc2nccn2C)C1 ZINC000123651316 508720790 /nfs/dbraw/zinc/72/07/90/508720790.db2.gz VSMYRLNAXWWUJV-LSDHHAIUSA-N 1 0 371.441 2.610 20 5 FFBDRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000136939590 508726217 /nfs/dbraw/zinc/72/62/17/508726217.db2.gz DXKWFRWNTVWYGX-GOEBONIOSA-N 1 0 356.426 2.704 20 5 FFBDRO Cc1nccn1-c1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2C)cn1 ZINC000123845492 508746444 /nfs/dbraw/zinc/74/64/44/508746444.db2.gz LLGQIPXSFJKYNY-UHFFFAOYSA-N 1 0 351.366 2.722 20 5 FFBDRO C[C@H]1C[C@@H](NC(=O)COc2cccc([N+](=O)[O-])c2)C[N@@H+]1Cc1ccccc1 ZINC000137460193 508757271 /nfs/dbraw/zinc/75/72/71/508757271.db2.gz MYFGUFBVIRJSJQ-DOTOQJQBSA-N 1 0 369.421 2.753 20 5 FFBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000158887746 508764042 /nfs/dbraw/zinc/76/40/42/508764042.db2.gz BCVHJWXYGYQDIN-LLVKDONJSA-N 1 0 356.220 2.571 20 5 FFBDRO C[N@H+](CCNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Cc1ccccc1 ZINC000158970351 508775396 /nfs/dbraw/zinc/77/53/96/508775396.db2.gz XOQPMQNADNLTET-UHFFFAOYSA-N 1 0 366.421 2.867 20 5 FFBDRO COc1ccc(NC(=O)C[N@H+](C)[C@@H](C)Cc2ccc(O)cc2)c([N+](=O)[O-])c1 ZINC000119387229 508785912 /nfs/dbraw/zinc/78/59/12/508785912.db2.gz MHXNIKNIZXSJBL-ZDUSSCGKSA-N 1 0 373.409 2.811 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000154452448 508787674 /nfs/dbraw/zinc/78/76/74/508787674.db2.gz BKNWMKISSLIMFM-UHFFFAOYSA-N 1 0 368.437 2.903 20 5 FFBDRO C[NH+](C)CCOc1ccccc1C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000119411539 508791146 /nfs/dbraw/zinc/79/11/46/508791146.db2.gz BEFFZWWSPUKIBE-UHFFFAOYSA-N 1 0 369.421 2.734 20 5 FFBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000124204734 508796447 /nfs/dbraw/zinc/79/64/47/508796447.db2.gz MYSXDQZPZHVDGJ-INIZCTEOSA-N 1 0 360.458 2.927 20 5 FFBDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000124282609 508809580 /nfs/dbraw/zinc/80/95/80/508809580.db2.gz JDYMSZYKMKJCPQ-INIZCTEOSA-N 1 0 362.474 2.881 20 5 FFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000140903135 508809889 /nfs/dbraw/zinc/80/98/89/508809889.db2.gz TYTODDKVZWDRJV-UHFFFAOYSA-N 1 0 368.437 2.940 20 5 FFBDRO COc1cc(C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000159235485 508812457 /nfs/dbraw/zinc/81/24/57/508812457.db2.gz NSKYGRFYKKPJGO-INIZCTEOSA-N 1 0 361.373 2.775 20 5 FFBDRO Cc1nccn1CCCN(C)C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000130655986 508827530 /nfs/dbraw/zinc/82/75/30/508827530.db2.gz SXJPLYROPKLIAE-UHFFFAOYSA-N 1 0 359.430 2.841 20 5 FFBDRO O=C(c1cc(F)c(F)cc1[N+](=O)[O-])N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000150756842 508886792 /nfs/dbraw/zinc/88/67/92/508886792.db2.gz JGSFKXRGQMNMEB-LBPRGKRZSA-N 1 0 353.369 2.964 20 5 FFBDRO CC(C)[N@H+](CCc1nccs1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000159762872 508886948 /nfs/dbraw/zinc/88/69/48/508886948.db2.gz LKPBFNSDQBWSIU-HNNXBMFYSA-N 1 0 365.455 2.744 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000119910894 508888355 /nfs/dbraw/zinc/88/83/55/508888355.db2.gz DSZCRYRRFNYSTP-OAHLLOKOSA-N 1 0 365.430 2.868 20 5 FFBDRO O=C(CC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)Nc1ccc2c(c1)OCO2 ZINC000131302749 508912694 /nfs/dbraw/zinc/91/26/94/508912694.db2.gz KVMBMDYGBCWWIA-UHFFFAOYSA-N 1 0 369.377 2.710 20 5 FFBDRO COc1cc(NCc2ccnc(OCC[NH+](C)C)c2)c(F)cc1[N+](=O)[O-] ZINC000120147440 508937716 /nfs/dbraw/zinc/93/77/16/508937716.db2.gz RVNJALUJIYOVLC-UHFFFAOYSA-N 1 0 364.377 2.690 20 5 FFBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000131749206 508965394 /nfs/dbraw/zinc/96/53/94/508965394.db2.gz MOZQZBJFCLQZNE-OKILXGFUSA-N 1 0 351.422 2.761 20 5 FFBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000131749644 508965428 /nfs/dbraw/zinc/96/54/28/508965428.db2.gz MOZQZBJFCLQZNE-ZIAGYGMSSA-N 1 0 351.422 2.761 20 5 FFBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)C[NH+]1CCCCC1 ZINC000125330282 508966814 /nfs/dbraw/zinc/96/68/14/508966814.db2.gz LEGLLUGSODKNME-CQSZACIVSA-N 1 0 356.426 2.995 20 5 FFBDRO C[N@H+](CCNC(=O)NCCc1cccc([N+](=O)[O-])c1)Cc1ccc(F)cc1 ZINC000120401451 508988652 /nfs/dbraw/zinc/98/86/52/508988652.db2.gz UMRUPNSOOZQKBI-UHFFFAOYSA-N 1 0 374.416 2.708 20 5 FFBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000160699887 509021762 /nfs/dbraw/zinc/02/17/62/509021762.db2.gz GIHHPMAPXBKZJJ-LBPRGKRZSA-N 1 0 356.220 2.571 20 5 FFBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000120728139 509053570 /nfs/dbraw/zinc/05/35/70/509053570.db2.gz QLJYHESONXMVPU-ZBFHGGJFSA-N 1 0 360.458 2.607 20 5 FFBDRO CN(C)C(=O)C[NH+]1CCC(Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000161044810 509064712 /nfs/dbraw/zinc/06/47/12/509064712.db2.gz ACQIMGFCXBJAHC-UHFFFAOYSA-N 1 0 374.363 2.578 20 5 FFBDRO C[C@@H]([NH2+]C[C@@H](O)CN1CCc2ccccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000151801351 509085962 /nfs/dbraw/zinc/08/59/62/509085962.db2.gz BQPQZHQVFITUOO-FOIQADDNSA-N 1 0 355.438 2.665 20 5 FFBDRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000121060001 509119898 /nfs/dbraw/zinc/11/98/98/509119898.db2.gz TVRFTIUBEAJWFY-CYBMUJFWSA-N 1 0 368.231 2.571 20 5 FFBDRO CSCC[C@@H](CO)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000133126580 509119991 /nfs/dbraw/zinc/11/99/91/509119991.db2.gz DNMVQIBJIWZFDA-LBPRGKRZSA-N 1 0 353.469 2.922 20 5 FFBDRO Cc1ccc(NCCCNC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)c([N+](=O)[O-])c1 ZINC000161542049 509127123 /nfs/dbraw/zinc/12/71/23/509127123.db2.gz HHMVHQSNVJCIHK-SFHVURJKSA-N 1 0 368.437 2.536 20 5 FFBDRO Cc1c(Br)cc(C(=O)N2CCC[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000121429541 509173507 /nfs/dbraw/zinc/17/35/07/509173507.db2.gz HIDCPQBNDOZTBX-LBPRGKRZSA-N 1 0 370.247 2.832 20 5 FFBDRO Cc1cccc(C(=O)NCC2([NH+]3CCCCC3)CCN(C)CC2)c1[N+](=O)[O-] ZINC000172750287 509211019 /nfs/dbraw/zinc/21/10/19/509211019.db2.gz VOACJUVRRFFUNF-UHFFFAOYSA-N 1 0 374.485 2.583 20 5 FFBDRO COc1ccc([C@@H](CCO)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000182395073 509213984 /nfs/dbraw/zinc/21/39/84/509213984.db2.gz VTYJBOYWUGEZET-GOSISDBHSA-N 1 0 373.409 2.564 20 5 FFBDRO Cc1cc(C)c(S(=O)(=O)NC2CC[NH+](C(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000191891036 509233463 /nfs/dbraw/zinc/23/34/63/509233463.db2.gz NLKHUOOPOLVXQZ-UHFFFAOYSA-N 1 0 369.487 2.753 20 5 FFBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)CC[C@H]21 ZINC000248144180 509246338 /nfs/dbraw/zinc/24/63/38/509246338.db2.gz ZEDGMNHWNUPXDM-FZKQIMNGSA-N 1 0 356.426 2.561 20 5 FFBDRO C[N@@H+]1CCC[C@H]2CN(Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CC[C@H]21 ZINC000248161116 509251575 /nfs/dbraw/zinc/25/15/75/509251575.db2.gz SDFZJKDHEZVBTR-GOEBONIOSA-N 1 0 357.414 2.561 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H](C)[C@@H]1COc2ccccc21 ZINC000185593760 509255380 /nfs/dbraw/zinc/25/53/80/509255380.db2.gz YCHYXPACWNUKPD-CJNGLKHVSA-N 1 0 355.394 2.996 20 5 FFBDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000172833089 509261615 /nfs/dbraw/zinc/26/16/15/509261615.db2.gz MLDYEBXHHOBWGB-MRXNPFEDSA-N 1 0 371.441 2.727 20 5 FFBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000172833094 509262635 /nfs/dbraw/zinc/26/26/35/509262635.db2.gz MLDYEBXHHOBWGB-INIZCTEOSA-N 1 0 371.441 2.727 20 5 FFBDRO CN(C(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@H]1CCC[N@H+](C)C1 ZINC000176009539 509270130 /nfs/dbraw/zinc/27/01/30/509270130.db2.gz MBTURBLSCHOODY-NSHDSACASA-N 1 0 356.220 2.524 20 5 FFBDRO Cc1csc(Sc2ccc(C(=O)N(C)[C@H](C)C[NH3+])cc2[N+](=O)[O-])n1 ZINC000179192560 509314034 /nfs/dbraw/zinc/31/40/34/509314034.db2.gz IRVSAFUSVFQWCM-SNVBAGLBSA-N 1 0 366.468 2.930 20 5 FFBDRO C[C@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185766455 509345155 /nfs/dbraw/zinc/34/51/55/509345155.db2.gz QYARXUCIYQMNAB-HOTGVXAUSA-N 1 0 374.485 2.800 20 5 FFBDRO C[C@H](NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)C(C)(C)C[NH+](C)C ZINC000173044046 509365868 /nfs/dbraw/zinc/36/58/68/509365868.db2.gz VZSNZKXAQWECMZ-AWEZNQCLSA-N 1 0 350.463 2.879 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2CCCC[C@@H]2Cc2ccccc2)c1 ZINC000248565305 509366976 /nfs/dbraw/zinc/36/69/76/509366976.db2.gz OQAYPSMUORSSOE-QRQLOZEOSA-N 1 0 358.442 2.543 20 5 FFBDRO C[S@@](=O)c1ccc(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)cc1 ZINC000173092506 509387475 /nfs/dbraw/zinc/38/74/75/509387475.db2.gz JZIYULNKIYFZDH-AREMUKBSSA-N 1 0 370.390 2.770 20 5 FFBDRO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000192219628 509410805 /nfs/dbraw/zinc/41/08/05/509410805.db2.gz MYRFWIYPXVGUMK-LJQANCHMSA-N 1 0 369.421 2.616 20 5 FFBDRO C[C@@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000227697640 509414004 /nfs/dbraw/zinc/41/40/04/509414004.db2.gz QTQZVJLAKDUDBI-ZACQAIPSSA-N 1 0 374.485 2.610 20 5 FFBDRO C[NH+](C)CCCOC1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000267265224 509417238 /nfs/dbraw/zinc/41/72/38/509417238.db2.gz PBIGGSHFYZUGKI-UHFFFAOYSA-N 1 0 374.441 2.649 20 5 FFBDRO C[C@@H](NC(=O)CNc1ccccc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182821102 509442584 /nfs/dbraw/zinc/44/25/84/509442584.db2.gz OIFKCTLTOJQDGH-CABCVRRESA-N 1 0 360.458 2.776 20 5 FFBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2c(C)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000248725142 509453184 /nfs/dbraw/zinc/45/31/84/509453184.db2.gz IDEWMDWXSPEMKQ-HOTGVXAUSA-N 1 0 363.458 2.770 20 5 FFBDRO Cc1c([C@@H](C)[NH2+]CCn2ccc([N+](=O)[O-])n2)cnn1-c1ccc(F)cc1 ZINC000182857189 509462123 /nfs/dbraw/zinc/46/21/23/509462123.db2.gz GEKYIDQYBABZBG-GFCCVEGCSA-N 1 0 358.377 2.775 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000192361274 509483227 /nfs/dbraw/zinc/48/32/27/509483227.db2.gz RUWKXPBORXSLRR-BBRMVZONSA-N 1 0 358.394 2.707 20 5 FFBDRO C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1c2ccccc2-c2ccccc21 ZINC000176434598 509507870 /nfs/dbraw/zinc/50/78/70/509507870.db2.gz SMVFLHOWCSLRMI-HNNXBMFYSA-N 1 0 364.405 2.854 20 5 FFBDRO C[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000186075021 509511946 /nfs/dbraw/zinc/51/19/46/509511946.db2.gz GDURXNYYXWUVHB-ZIAGYGMSSA-N 1 0 367.471 2.526 20 5 FFBDRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000173378180 509561308 /nfs/dbraw/zinc/56/13/08/509561308.db2.gz MRTZMXPHVGWLRX-STQMWFEESA-N 1 0 363.439 2.915 20 5 FFBDRO C[NH2+]C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)C1 ZINC000237059198 509562088 /nfs/dbraw/zinc/56/20/88/509562088.db2.gz FFFQUXJUCKCAKS-MRXNPFEDSA-N 1 0 374.485 2.903 20 5 FFBDRO CCCNC(=O)CN1CCC([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000192662584 509589104 /nfs/dbraw/zinc/58/91/04/509589104.db2.gz VDNZFYCSCMEPSH-IBGZPJMESA-N 1 0 374.485 2.552 20 5 FFBDRO COc1cc(C[NH2+]C[C@@H](O)c2ccc(F)cc2)c([N+](=O)[O-])cc1OC ZINC000237234293 509598733 /nfs/dbraw/zinc/59/87/33/509598733.db2.gz HIHUFBYPHMNCJJ-OAHLLOKOSA-N 1 0 350.346 2.574 20 5 FFBDRO O=C(C[NH2+][C@@H](CCCO)c1ccccc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000179742166 509599632 /nfs/dbraw/zinc/59/96/32/509599632.db2.gz PGNRWGBZTPTRTP-SFHVURJKSA-N 1 0 369.421 2.587 20 5 FFBDRO C[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@H](c1ccccc1)[NH+](C)C ZINC000189519059 509616602 /nfs/dbraw/zinc/61/66/02/509616602.db2.gz VRAITJTZGSILLW-CXAGYDPISA-N 1 0 363.439 2.565 20 5 FFBDRO Cc1nc2ccccc2nc1C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173471813 509620634 /nfs/dbraw/zinc/62/06/34/509620634.db2.gz ACSRVJZEBAVITA-AWEZNQCLSA-N 1 0 364.409 2.928 20 5 FFBDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000237376069 509635840 /nfs/dbraw/zinc/63/58/40/509635840.db2.gz KGEHGJGEYKRDNX-YPMHNXCESA-N 1 0 360.439 2.918 20 5 FFBDRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000237430838 509645087 /nfs/dbraw/zinc/64/50/87/509645087.db2.gz ZDRNOOKXKIOYPS-YJBOKZPZSA-N 1 0 363.461 2.883 20 5 FFBDRO C[C@@H]1CCCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])[C@H]1C[NH3+] ZINC000237492300 509662119 /nfs/dbraw/zinc/66/21/19/509662119.db2.gz JKLNSCLVTNNYLR-RISCZKNCSA-N 1 0 355.822 2.603 20 5 FFBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000173602472 509669626 /nfs/dbraw/zinc/66/96/26/509669626.db2.gz KSQOMPAYMMFFFO-HNNXBMFYSA-N 1 0 371.441 2.584 20 5 FFBDRO CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1Br)[C@H]1CCC[N@H+](C)C1 ZINC000267920513 509671378 /nfs/dbraw/zinc/67/13/78/509671378.db2.gz JMMOXVYRTMKJSL-JTQLQIEISA-N 1 0 374.210 2.663 20 5 FFBDRO CN1CCN(C)[C@@H](C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000264738023 509674752 /nfs/dbraw/zinc/67/47/52/509674752.db2.gz JMWPLJDMFLKONU-AWEZNQCLSA-N 1 0 360.483 2.659 20 5 FFBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCC(C[NH3+])CC3)cc2[N+](=O)[O-])C1 ZINC000237690896 509712018 /nfs/dbraw/zinc/71/20/18/509712018.db2.gz DRUADCSWASZBIK-GASCZTMLSA-N 1 0 374.485 2.888 20 5 FFBDRO CC[C@](C)(O)C[N@H+](Cc1ccccc1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000189736457 509725915 /nfs/dbraw/zinc/72/59/15/509725915.db2.gz UGKNPEQTAPDUPE-FQEVSTJZSA-N 1 0 371.437 2.857 20 5 FFBDRO COc1cc(C[N@@H+]2CCCC[C@@H]2[C@@H](C)O)c([N+](=O)[O-])cc1OCC(F)F ZINC000180058766 509730064 /nfs/dbraw/zinc/73/00/64/509730064.db2.gz JDTOHROUYBIIBZ-DGCLKSJQSA-N 1 0 374.384 2.983 20 5 FFBDRO Cn1cc(C[NH2+][C@@H]2c3ccccc3C[C@@H]2O)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237786580 509735187 /nfs/dbraw/zinc/73/51/87/509735187.db2.gz NSEKOJILMBTIPF-AZUAARDMSA-N 1 0 364.405 2.743 20 5 FFBDRO [NH3+]C[C@@H]1CCCCN1C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000237825684 509745381 /nfs/dbraw/zinc/74/53/81/509745381.db2.gz HEFPEAJWQSKKHS-LBPRGKRZSA-N 1 0 374.363 2.755 20 5 FFBDRO Cc1c([N+](=O)[O-])cc(C(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)cc1[N+](=O)[O-] ZINC000268099097 509755556 /nfs/dbraw/zinc/75/55/56/509755556.db2.gz ASOOFFUYXKDJJT-CYBMUJFWSA-N 1 0 364.402 2.519 20 5 FFBDRO O=C(c1ccncc1)N1CCC([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000237891454 509765033 /nfs/dbraw/zinc/76/50/33/509765033.db2.gz QTDHUEKQOCVLGG-HWKANZROSA-N 1 0 366.421 2.897 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](c3nccs3)C2)c1 ZINC000249803539 509767259 /nfs/dbraw/zinc/76/72/59/509767259.db2.gz ARWDPEUQOYFBJY-HIFRSBDPSA-N 1 0 363.439 2.671 20 5 FFBDRO Cc1c(C(=O)Nc2cc(C[NH+](C)C)ccn2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000176923023 509767466 /nfs/dbraw/zinc/76/74/66/509767466.db2.gz HKIZDTHBTQTTAN-UHFFFAOYSA-N 1 0 359.342 2.520 20 5 FFBDRO COc1ccc(CN2CCC[C@@H]2C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1[N+](=O)[O-] ZINC000249817380 509768863 /nfs/dbraw/zinc/76/88/63/509768863.db2.gz LNBTWUQUIWXTQT-BFYDXBDKSA-N 1 0 363.458 2.677 20 5 FFBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000173785017 509776316 /nfs/dbraw/zinc/77/63/16/509776316.db2.gz HBHIEXFGOYSJFH-HNNXBMFYSA-N 1 0 371.441 2.584 20 5 FFBDRO COc1cc(C[NH2+]CC[C@](C)(O)c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000189844561 509783013 /nfs/dbraw/zinc/78/30/13/509783013.db2.gz NNMULBXGFBSZDH-IBGZPJMESA-N 1 0 360.410 2.999 20 5 FFBDRO CCOC(=O)C[C@](C)([NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C)C(C)C ZINC000186667490 509838151 /nfs/dbraw/zinc/83/81/51/509838151.db2.gz DQHQCPQJRDTNIL-SFHVURJKSA-N 1 0 365.430 2.799 20 5 FFBDRO C[C@H]1CN(Cc2ccccc2)CCN1C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183556301 509859762 /nfs/dbraw/zinc/85/97/62/509859762.db2.gz WWVGTGUZDJZHOS-AWEZNQCLSA-N 1 0 355.398 2.728 20 5 FFBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)[N@@H+]1CCC[C@@H](C)C1 ZINC000252735505 509860064 /nfs/dbraw/zinc/86/00/64/509860064.db2.gz MYSUNKDAEPTKJL-ZIAGYGMSSA-N 1 0 356.426 2.993 20 5 FFBDRO O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)Nc1ccncc1[N+](=O)[O-] ZINC000183566325 509865650 /nfs/dbraw/zinc/86/56/50/509865650.db2.gz XHMVOKLPOYRELK-INIZCTEOSA-N 1 0 369.425 2.676 20 5 FFBDRO C[NH+](C)CCCOC1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000177099879 509871755 /nfs/dbraw/zinc/87/17/55/509871755.db2.gz CFCHEOKTLJJKSX-UHFFFAOYSA-N 1 0 374.441 2.649 20 5 FFBDRO C[C@@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000180426354 509920464 /nfs/dbraw/zinc/92/04/64/509920464.db2.gz ZFZSMKMEVWGIAI-MLGOLLRUSA-N 1 0 361.354 2.594 20 5 FFBDRO COc1ccc(OCC[NH2+][C@H](CCO)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000183714016 509941068 /nfs/dbraw/zinc/94/10/68/509941068.db2.gz LADKUMWGABLDIY-MRXNPFEDSA-N 1 0 352.431 2.903 20 5 FFBDRO C[C@@H]1CCC[N@H+](CCNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000180477153 509944669 /nfs/dbraw/zinc/94/46/69/509944669.db2.gz AZYULNZXWRYSJH-LLVKDONJSA-N 1 0 357.357 2.658 20 5 FFBDRO O=C(COc1cccc([N+](=O)[O-])c1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177229106 509949272 /nfs/dbraw/zinc/94/92/72/509949272.db2.gz MLRLWYSTDCEZTI-UHFFFAOYSA-N 1 0 361.442 2.887 20 5 FFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC[NH2+]C[C@H]1c1cccc(Cl)c1 ZINC000261689816 510028782 /nfs/dbraw/zinc/02/87/82/510028782.db2.gz HLNLXGOWRKDFAA-KRWDZBQOSA-N 1 0 359.813 2.964 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[NH2+]C[C@H]1c1cccc(F)c1 ZINC000261704134 510033742 /nfs/dbraw/zinc/03/37/42/510033742.db2.gz JZGZPEGRSLDAQU-KRWDZBQOSA-N 1 0 372.400 2.627 20 5 FFBDRO C[C@H]1[C@@H]([NH3+])CCN1c1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000261719670 510039377 /nfs/dbraw/zinc/03/93/77/510039377.db2.gz PYWPPGZIZZHRDP-KWQFWETISA-N 1 0 351.204 2.831 20 5 FFBDRO COCC1(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC[NH2+]CC1 ZINC000261718812 510040052 /nfs/dbraw/zinc/04/00/52/510040052.db2.gz LHODDLLQJQIXQH-UHFFFAOYSA-N 1 0 363.439 2.556 20 5 FFBDRO C[NH2+][C@H](C)CNC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000261723782 510041514 /nfs/dbraw/zinc/04/15/14/510041514.db2.gz KZCZVUPJHVLHIT-OLZOCXBDSA-N 1 0 357.414 2.501 20 5 FFBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CC[C@@](C)(C[NH3+])C3)cc2[N+](=O)[O-])C1 ZINC000261767379 510055877 /nfs/dbraw/zinc/05/58/77/510055877.db2.gz FOIWPMUAJSWQSJ-MDOVXXIYSA-N 1 0 374.485 2.888 20 5 FFBDRO O=C(COc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000193769717 510060010 /nfs/dbraw/zinc/06/00/10/510060010.db2.gz GTUIQSDLUBZDAR-KRWDZBQOSA-N 1 0 369.421 2.612 20 5 FFBDRO C[C@@H]1CCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H](C[NH3+])C1 ZINC000261782948 510061782 /nfs/dbraw/zinc/06/17/82/510061782.db2.gz LGTBDKKINAKVEC-RISCZKNCSA-N 1 0 360.439 2.918 20 5 FFBDRO C[N@@H+]1CC[C@H](NC(=O)NCc2cccc([N+](=O)[O-])c2)[C@H]1c1ccccc1 ZINC000245658889 510067314 /nfs/dbraw/zinc/06/73/14/510067314.db2.gz PBPFDDWLBMIDCI-ZWKOTPCHSA-N 1 0 354.410 2.839 20 5 FFBDRO CN(C(=O)c1ccc(N)c([N+](=O)[O-])c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000268682206 510068675 /nfs/dbraw/zinc/06/86/75/510068675.db2.gz GPLYSJFQHQXKNN-INIZCTEOSA-N 1 0 354.410 2.524 20 5 FFBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000245671288 510074167 /nfs/dbraw/zinc/07/41/67/510074167.db2.gz SEENJAHVIIGCKP-KBPBESRZSA-N 1 0 358.442 2.855 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000193835681 510093620 /nfs/dbraw/zinc/09/36/20/510093620.db2.gz TWWVDHLHWFSFHS-MRXNPFEDSA-N 1 0 369.421 2.855 20 5 FFBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)CN1CCOCC1 ZINC000180781285 510105542 /nfs/dbraw/zinc/10/55/42/510105542.db2.gz GGWNUESXFXWJCM-CYBMUJFWSA-N 1 0 367.471 2.546 20 5 FFBDRO C[C@H]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)[C@@H](C[NH3+])C1 ZINC000261930540 510120128 /nfs/dbraw/zinc/12/01/28/510120128.db2.gz ZXVMZFHHNGVOMU-WCBMZHEXSA-N 1 0 374.210 2.696 20 5 FFBDRO CCOc1cc(C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])cc1OC ZINC000177555684 510131955 /nfs/dbraw/zinc/13/19/55/510131955.db2.gz CSQJQDFRBUQTNO-QWHCGFSZSA-N 1 0 365.430 2.605 20 5 FFBDRO CCc1n[nH]c(C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000171400647 510134139 /nfs/dbraw/zinc/13/41/39/510134139.db2.gz TUVCRXKQMVGLEB-UHFFFAOYSA-N 1 0 363.462 2.609 20 5 FFBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)NC[C@H]([NH3+])C3CC3)cc2[N+](=O)[O-])C1 ZINC000261991879 510141745 /nfs/dbraw/zinc/14/17/45/510141745.db2.gz YHITUHOGLJNMDC-ZENOOKHLSA-N 1 0 360.458 2.544 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CC(C)(C)OC(C)(C)C1 ZINC000190552635 510201462 /nfs/dbraw/zinc/20/14/62/510201462.db2.gz MMVSBKOJESUQJM-UHFFFAOYSA-N 1 0 365.430 2.821 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N(CC[NH+](C)C)Cc1ccccn1 ZINC000171530905 510211458 /nfs/dbraw/zinc/21/14/58/510211458.db2.gz ICOWXWPIYOTPPN-UHFFFAOYSA-N 1 0 373.413 2.594 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+](Cc2ccco2)Cc2cccs2)c1 ZINC000174655424 510231852 /nfs/dbraw/zinc/23/18/52/510231852.db2.gz DIHPCTJLJGSODF-CQSZACIVSA-N 1 0 362.411 2.509 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+](Cc2ccccc2)Cc2ccccc2)c1 ZINC000174665654 510239363 /nfs/dbraw/zinc/23/93/63/510239363.db2.gz LUGFSWQKMLQTJF-HXUWFJFHSA-N 1 0 366.421 2.855 20 5 FFBDRO C[NH2+]CC1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CC1 ZINC000269147833 510259213 /nfs/dbraw/zinc/25/92/13/510259213.db2.gz IPRXOLCDVJQEOP-UHFFFAOYSA-N 1 0 374.210 2.568 20 5 FFBDRO O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000269192590 510284421 /nfs/dbraw/zinc/28/44/21/510284421.db2.gz MLZQTGUAFCPFCE-CABCVRRESA-N 1 0 358.442 2.552 20 5 FFBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)NC[C@H]3CCC[NH2+]C3)cc2[N+](=O)[O-])C1 ZINC000262520498 510307993 /nfs/dbraw/zinc/30/79/93/510307993.db2.gz YGVPQRASJVLPFX-XHSDSOJGSA-N 1 0 374.485 2.807 20 5 FFBDRO CC[C@@H]([NH2+]CC(=O)NCc1ccc(OC)cc1)c1cccc([N+](=O)[O-])c1 ZINC000177925867 510330144 /nfs/dbraw/zinc/33/01/44/510330144.db2.gz QBXDNZHHYZMBQN-GOSISDBHSA-N 1 0 357.410 2.961 20 5 FFBDRO O=[N+]([O-])c1ccccc1CS(=O)(=O)NCCCCC[NH+]1CCCCC1 ZINC000184468518 510339878 /nfs/dbraw/zinc/33/98/78/510339878.db2.gz AQIUSLLIHBKFIM-UHFFFAOYSA-N 1 0 369.487 2.670 20 5 FFBDRO COc1cc(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)cc([N+](=O)[O-])c1OC ZINC000265986784 510341841 /nfs/dbraw/zinc/34/18/41/510341841.db2.gz LAYVFFRBYLCADS-MRXNPFEDSA-N 1 0 373.409 2.645 20 5 FFBDRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000181308577 510350110 /nfs/dbraw/zinc/35/01/10/510350110.db2.gz IMYUBZWJGVBEOU-MRXNPFEDSA-N 1 0 370.453 2.957 20 5 FFBDRO O=[N+]([O-])c1cc(CN2CC[NH+](CC3CCOCC3)CC2)ccc1Cl ZINC000178020052 510380404 /nfs/dbraw/zinc/38/04/04/510380404.db2.gz AUTMGYRPHHIUJA-UHFFFAOYSA-N 1 0 353.850 2.792 20 5 FFBDRO CCOc1cc(N2CCC(OCCC[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000174918786 510386049 /nfs/dbraw/zinc/38/60/49/510386049.db2.gz SPMQZKZYXQKMOW-UHFFFAOYSA-N 1 0 351.447 2.931 20 5 FFBDRO Cc1ccc(C(=O)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)cn2)cc1[N+](=O)[O-] ZINC000269415725 510394814 /nfs/dbraw/zinc/39/48/14/510394814.db2.gz IYCLKUMPCIJATJ-INIZCTEOSA-N 1 0 369.425 2.691 20 5 FFBDRO CN(CC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1[N+](=O)[O-] ZINC000246338786 510436446 /nfs/dbraw/zinc/43/64/46/510436446.db2.gz LQQNTLQXGWRPDS-RDJZCZTQSA-N 1 0 372.469 2.506 20 5 FFBDRO Nc1c(C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)cccc1[N+](=O)[O-] ZINC000178182839 510475958 /nfs/dbraw/zinc/47/59/58/510475958.db2.gz LHCJRGXKSFHAGY-CYBMUJFWSA-N 1 0 374.466 2.881 20 5 FFBDRO C[NH+](C)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C1 ZINC000172029137 510507194 /nfs/dbraw/zinc/50/71/94/510507194.db2.gz OSEJBOAIMOCFCL-HNNXBMFYSA-N 1 0 360.458 2.609 20 5 FFBDRO C[C@@H]1CC[C@](CO)([N@H+](C)CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000187946557 510514496 /nfs/dbraw/zinc/51/44/96/510514496.db2.gz RYDXEYOZGMSSGM-BZNIZROVSA-N 1 0 355.822 2.670 20 5 FFBDRO C[C@@H](CN1CCCC1=O)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000172114489 510549590 /nfs/dbraw/zinc/54/95/90/510549590.db2.gz RKKCEZXOVVSGKD-LBPRGKRZSA-N 1 0 360.439 2.819 20 5 FFBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000181775828 510586393 /nfs/dbraw/zinc/58/63/93/510586393.db2.gz JSCIYEDBWYWFGM-GFCCVEGCSA-N 1 0 357.357 2.800 20 5 FFBDRO CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccc(C(C)C)c([N+](=O)[O-])c3)C2)CC1 ZINC000188124139 510606387 /nfs/dbraw/zinc/60/63/87/510606387.db2.gz JHTOISHYOYJFNH-QGZVFWFLSA-N 1 0 374.485 2.570 20 5 FFBDRO C[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1ccc(-n2cncn2)cc1 ZINC000181902064 510650019 /nfs/dbraw/zinc/65/00/19/510650019.db2.gz KUYNJNPAADZSIQ-AWEZNQCLSA-N 1 0 353.382 2.905 20 5 FFBDRO COc1cc(C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)cc([N+](=O)[O-])c1C ZINC000188221003 510656010 /nfs/dbraw/zinc/65/60/10/510656010.db2.gz DDKBMQDJWCFICH-OAHLLOKOSA-N 1 0 361.442 2.860 20 5 FFBDRO C[C@H]([NH3+])CCNC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000178646781 510702770 /nfs/dbraw/zinc/70/27/70/510702770.db2.gz MGNDRDNCEYOIQB-QMMMGPOBSA-N 1 0 372.212 2.554 20 5 FFBDRO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccc(-n2ccnn2)cc1 ZINC000182006628 510704780 /nfs/dbraw/zinc/70/47/80/510704780.db2.gz HDSKDMWELCELAH-AWEZNQCLSA-N 1 0 353.382 2.905 20 5 FFBDRO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(C(N)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000178671871 510713070 /nfs/dbraw/zinc/71/30/70/510713070.db2.gz AWKDDHGRSDARFN-YVEFUNNKSA-N 1 0 370.409 2.762 20 5 FFBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[N@@H+]2CC2CCCCC2)n1 ZINC000191608167 510748443 /nfs/dbraw/zinc/74/84/43/510748443.db2.gz WWLBCPGKGFNPLR-OAHLLOKOSA-N 1 0 363.462 2.586 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH+]2CCC(OC3CCCC3)CC2)c1 ZINC000195323807 510782361 /nfs/dbraw/zinc/78/23/61/510782361.db2.gz JBNRWJFPUYKLQO-INIZCTEOSA-N 1 0 364.442 2.758 20 5 FFBDRO C[N@@H+]1CCCC[C@H]1CN1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000182157225 510787372 /nfs/dbraw/zinc/78/73/72/510787372.db2.gz ZDWXUBKTMSNEAW-KRWDZBQOSA-N 1 0 366.893 2.850 20 5 FFBDRO CC(C)c1n[nH]c(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000270389082 510788718 /nfs/dbraw/zinc/78/87/18/510788718.db2.gz AHYSWJDDRBRUDA-CZUORRHYSA-N 1 0 357.414 2.617 20 5 FFBDRO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000182176854 510797023 /nfs/dbraw/zinc/79/70/23/510797023.db2.gz JGFWEMUSFBAABL-WCQYABFASA-N 1 0 352.337 2.964 20 5 FFBDRO CC(C)[NH+]1CCN(C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)CC1 ZINC000270430837 510806416 /nfs/dbraw/zinc/80/64/16/510806416.db2.gz BNQVPLWEEDPNOD-UHFFFAOYSA-N 1 0 368.428 2.868 20 5 FFBDRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000185412139 510838567 /nfs/dbraw/zinc/83/85/67/510838567.db2.gz MGAFGZNBYDIQDH-HNNXBMFYSA-N 1 0 371.441 2.775 20 5 FFBDRO C[C@@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCO2 ZINC000182290861 510845062 /nfs/dbraw/zinc/84/50/62/510845062.db2.gz QRFUHHPUYXKMJT-GFCCVEGCSA-N 1 0 357.366 2.637 20 5 FFBDRO O=C1[C@@H](N2CCC[C@@H]([NH+]3CCCC3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000247186775 510850062 /nfs/dbraw/zinc/85/00/62/510850062.db2.gz VCFASGCALNDLNG-APWZRJJASA-N 1 0 372.469 2.650 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000247544718 510865134 /nfs/dbraw/zinc/86/51/34/510865134.db2.gz YHKBHFBNURRJNA-SUMWQHHRSA-N 1 0 360.458 2.971 20 5 FFBDRO COc1ccc(OC)c([C@@H](O)C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000293887181 510887882 /nfs/dbraw/zinc/88/78/82/510887882.db2.gz VSAONHODHCBJJQ-DIFFPNOSSA-N 1 0 361.398 2.578 20 5 FFBDRO NC(=O)[C@H]([NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])c1ccccn1 ZINC000297314444 510899730 /nfs/dbraw/zinc/89/97/30/510899730.db2.gz NAFQNWZGRZVZSU-JCKWVBRZSA-N 1 0 354.410 2.517 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC=C(c2ccnn2C)CC1 ZINC000285483787 510924930 /nfs/dbraw/zinc/92/49/30/510924930.db2.gz CYQHNGFRZUHXTJ-UHFFFAOYSA-N 1 0 369.425 2.755 20 5 FFBDRO Cn1nccc1C1=CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000285604404 510974693 /nfs/dbraw/zinc/97/46/93/510974693.db2.gz MHFWIWRPIRVCAE-UHFFFAOYSA-N 1 0 373.388 2.585 20 5 FFBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000270857505 511006743 /nfs/dbraw/zinc/00/67/43/511006743.db2.gz YVMYPUZVFGGTOT-ACJLOTCBSA-N 1 0 358.442 2.752 20 5 FFBDRO Cc1ccc([C@H](C)NC(=O)[C@]2([NH3+])[C@H]3CCCO[C@H]3C2(C)C)cc1[N+](=O)[O-] ZINC000364725450 511044495 /nfs/dbraw/zinc/04/44/95/511044495.db2.gz SWGFTLUDSGYZLV-UETVFIHBSA-N 1 0 361.442 2.613 20 5 FFBDRO CC[NH+]1CCN(Cc2ccc(NC(=O)CCC(C)(C)[N+](=O)[O-])cc2)CC1 ZINC000294377468 511045298 /nfs/dbraw/zinc/04/52/98/511045298.db2.gz HDWYBPUUPOZGNV-UHFFFAOYSA-N 1 0 362.474 2.598 20 5 FFBDRO COC(=O)[C@]1(C)C[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000282649831 511060249 /nfs/dbraw/zinc/06/02/49/511060249.db2.gz FVXJMILMBSRTKF-BFUOFWGJSA-N 1 0 372.425 2.626 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H](c2ccncn2)C1 ZINC000361654161 511075955 /nfs/dbraw/zinc/07/59/55/511075955.db2.gz YRPNHRFSAUARRF-HNNXBMFYSA-N 1 0 369.425 2.901 20 5 FFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000279419874 511076524 /nfs/dbraw/zinc/07/65/24/511076524.db2.gz WUMJEVUDCAOCPG-UHFFFAOYSA-N 1 0 357.410 2.855 20 5 FFBDRO COc1ccc([C@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])[NH+]2CCCC2)cc1 ZINC000294525496 511092932 /nfs/dbraw/zinc/09/29/32/511092932.db2.gz ZAHCFACBAKUERR-KRWDZBQOSA-N 1 0 363.458 2.784 20 5 FFBDRO CS(=O)(=O)C1(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000279653607 511163891 /nfs/dbraw/zinc/16/38/91/511163891.db2.gz KWJCOCCPFFXGRW-UHFFFAOYSA-N 1 0 366.464 2.990 20 5 FFBDRO COCCn1cc(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])cn1 ZINC000282941888 511170987 /nfs/dbraw/zinc/17/09/87/511170987.db2.gz YXEXMIUXQBVEGI-AEFFLSMTSA-N 1 0 358.442 2.939 20 5 FFBDRO CC(=O)c1ccc(OC[C@H](O)C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000294946030 511230135 /nfs/dbraw/zinc/23/01/35/511230135.db2.gz AHAOLLOBCBJHDK-SCLBCKFNSA-N 1 0 358.394 2.888 20 5 FFBDRO COCCC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)CC1 ZINC000295036648 511259863 /nfs/dbraw/zinc/25/98/63/511259863.db2.gz IWVVQVJGADLHEV-UHFFFAOYSA-N 1 0 369.849 2.787 20 5 FFBDRO COc1ccc(NC(=O)CC[N@@H+]2CCSCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000298404317 511273306 /nfs/dbraw/zinc/27/33/06/511273306.db2.gz FHPADQFGEVTSIY-GFCCVEGCSA-N 1 0 353.444 2.759 20 5 FFBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)CCC(=O)c3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000295078323 511273449 /nfs/dbraw/zinc/27/34/49/511273449.db2.gz WOUBJMBMGKXXRT-NVXWUHKLSA-N 1 0 359.426 2.500 20 5 FFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1COC2(CCCC2)O1 ZINC000271643747 511273730 /nfs/dbraw/zinc/27/37/30/511273730.db2.gz FACPQBKZWXCBRK-XJKSGUPXSA-N 1 0 363.414 2.587 20 5 FFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](CN2CCOCC2)c2ccccc2)cc1F ZINC000283243190 511291941 /nfs/dbraw/zinc/29/19/41/511291941.db2.gz UXEYESGSGGRBAF-GOSISDBHSA-N 1 0 359.401 2.897 20 5 FFBDRO Cn1cc([C@H]2C[N@H+](CCc3ccc([N+](=O)[O-])cc3)CC23CCOCC3)cn1 ZINC000295176319 511310360 /nfs/dbraw/zinc/31/03/60/511310360.db2.gz QWHXPYOTQBAQTA-LJQANCHMSA-N 1 0 370.453 2.767 20 5 FFBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000295278205 511346100 /nfs/dbraw/zinc/34/61/00/511346100.db2.gz MMZASSDKJTWKGT-PBHICJAKSA-N 1 0 359.426 2.643 20 5 FFBDRO CCC[C@@]1(CO)CCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000298664901 511367343 /nfs/dbraw/zinc/36/73/43/511367343.db2.gz YFRMRTOVOMMHSS-SFHVURJKSA-N 1 0 365.430 2.559 20 5 FFBDRO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CC[N@@H+](C2CC2)C1 ZINC000295382124 511384933 /nfs/dbraw/zinc/38/49/33/511384933.db2.gz PPJZSYMHPSSCEL-LLVKDONJSA-N 1 0 369.368 2.753 20 5 FFBDRO COC(=O)C1CC[NH+](CCCNc2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000298715866 511385867 /nfs/dbraw/zinc/38/58/67/511385867.db2.gz MSGIRUFYQZMHRO-UHFFFAOYSA-N 1 0 372.425 2.830 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@](C)(OC)CC1 ZINC000280250671 511391903 /nfs/dbraw/zinc/39/19/03/511391903.db2.gz BMGCQFQEQHZNGD-FZKQIMNGSA-N 1 0 365.430 2.821 20 5 FFBDRO CCOc1ccc([C@@H](O)C2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000291969358 511411284 /nfs/dbraw/zinc/41/12/84/511411284.db2.gz VLVGDBLLSJENSS-LJQANCHMSA-N 1 0 374.441 2.636 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000298834307 511425369 /nfs/dbraw/zinc/42/53/69/511425369.db2.gz YFWUIHRFZKRQQC-UHFFFAOYSA-N 1 0 367.471 2.542 20 5 FFBDRO CC(C)[N@H+](CCOCCO)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000283619241 511437950 /nfs/dbraw/zinc/43/79/50/511437950.db2.gz AIXVFNOYBXIIIO-UHFFFAOYSA-N 1 0 363.414 2.512 20 5 FFBDRO CC(=O)c1cc(NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000283683032 511460281 /nfs/dbraw/zinc/46/02/81/511460281.db2.gz XWJKMVOSEKLNDL-GOSISDBHSA-N 1 0 369.421 2.629 20 5 FFBDRO Cc1nn(C)c(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)c1[N+](=O)[O-] ZINC000299149206 511532459 /nfs/dbraw/zinc/53/24/59/511532459.db2.gz KMLZKSMWSDKFND-UHFFFAOYSA-N 1 0 371.441 2.917 20 5 FFBDRO CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC000295877813 511542562 /nfs/dbraw/zinc/54/25/62/511542562.db2.gz GSBRSEGFEWICLK-UHFFFAOYSA-N 1 0 358.446 2.794 20 5 FFBDRO COc1cc(C(=O)N2CC(C)(C)[C@H]2c2nccn2C)cc([N+](=O)[O-])c1C ZINC000295941391 511562348 /nfs/dbraw/zinc/56/23/48/511562348.db2.gz QCTNOKGQYRXHBO-OAHLLOKOSA-N 1 0 358.398 2.869 20 5 FFBDRO CC[C@H](C)[NH+]1CCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000296025213 511592758 /nfs/dbraw/zinc/59/27/58/511592758.db2.gz MDAPKLXIVDYBJT-QWHCGFSZSA-N 1 0 368.865 2.991 20 5 FFBDRO C[C@@H]1CN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC[N@@H+](C2CCC2)C1 ZINC000292457374 511604647 /nfs/dbraw/zinc/60/46/47/511604647.db2.gz ZRBQQOZZWYTIMV-LBPRGKRZSA-N 1 0 357.414 2.554 20 5 FFBDRO CCn1cnc2c(c1=O)CCN(Cc1cc([N+](=O)[O-])ccc1OC(C)C)C2 ZINC000280949990 511663813 /nfs/dbraw/zinc/66/38/13/511663813.db2.gz IPVWVADYRIRKIA-UHFFFAOYSA-N 1 0 372.425 2.517 20 5 FFBDRO Cc1ccc(C2CC[NH+](C[C@H](O)COc3ccccc3[N+](=O)[O-])CC2)cn1 ZINC000363652530 511683700 /nfs/dbraw/zinc/68/37/00/511683700.db2.gz QEIPPXDAKOUSPS-SFHVURJKSA-N 1 0 371.437 2.918 20 5 FFBDRO CN(CC1CC[NH+](C)CC1)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000273993182 511683896 /nfs/dbraw/zinc/68/38/96/511683896.db2.gz XNOLIPDHQJNSHC-UHFFFAOYSA-N 1 0 351.422 2.812 20 5 FFBDRO O=C(C[N@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O)Nc1ccccc1[N+](=O)[O-] ZINC000281021874 511691141 /nfs/dbraw/zinc/69/11/41/511691141.db2.gz OLUZARIJFNLIGP-YXJHDRRASA-N 1 0 361.442 2.939 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)cc1C ZINC000303028225 511724196 /nfs/dbraw/zinc/72/41/96/511724196.db2.gz OYSIDQKOXHJNRL-OAHLLOKOSA-N 1 0 369.487 2.610 20 5 FFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000363778440 511762678 /nfs/dbraw/zinc/76/26/78/511762678.db2.gz MYXAMROOEGVPDG-GDBMZVCRSA-N 1 0 354.410 2.881 20 5 FFBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CC[C@H]([NH+]2CCCC2)C1 ZINC000364015049 511907753 /nfs/dbraw/zinc/90/77/53/511907753.db2.gz VWIQDYZIHSYACV-LBPRGKRZSA-N 1 0 355.797 2.627 20 5 FFBDRO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@H+](C[C@@H]4CCCCO4)CC3)nc2c1 ZINC000274824554 511955063 /nfs/dbraw/zinc/95/50/63/511955063.db2.gz KQJHGHPFOOBCLE-HNNXBMFYSA-N 1 0 359.430 2.552 20 5 FFBDRO C[C@H](NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285084385 511994753 /nfs/dbraw/zinc/99/47/53/511994753.db2.gz JSLALKCJHCMMPG-BOFPYLFWSA-N 1 0 362.474 2.596 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H]([NH3+])C1 ZINC000297183745 512051504 /nfs/dbraw/zinc/05/15/04/512051504.db2.gz LJVLFFQAUZIUTP-ZWKOTPCHSA-N 1 0 357.385 2.999 20 5 FFBDRO O=C(NCC(F)(F)F)[C@@H]1CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000275156924 512059118 /nfs/dbraw/zinc/05/91/18/512059118.db2.gz WJEVSIWTMMXQBD-MASHWEEQSA-N 1 0 357.332 2.608 20 5 FFBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H](O)COCc1cccs1 ZINC000285328498 512077963 /nfs/dbraw/zinc/07/79/63/512077963.db2.gz NQKJJXFEFJVARE-OAHLLOKOSA-N 1 0 350.440 2.708 20 5 FFBDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)CCCNc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000293827383 512093439 /nfs/dbraw/zinc/09/34/39/512093439.db2.gz BRCAFEDEHGPGDP-LJQANCHMSA-N 1 0 360.458 2.731 20 5 FFBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000364440829 512109304 /nfs/dbraw/zinc/10/93/04/512109304.db2.gz YZRXAEQKAXGGRT-ZZXKWVIFSA-N 1 0 373.453 2.569 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000375694824 512459722 /nfs/dbraw/zinc/45/97/22/512459722.db2.gz ZLLCTFVVUBEZRP-MRXNPFEDSA-N 1 0 369.421 2.855 20 5 FFBDRO COc1ccc(OCC[N@@H+]2CCC[C@@H](c3ccnn3C)C2)c([N+](=O)[O-])c1 ZINC000377823679 512467407 /nfs/dbraw/zinc/46/74/07/512467407.db2.gz LQDJCBSGDSJICJ-CQSZACIVSA-N 1 0 360.414 2.595 20 5 FFBDRO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000373735141 512478846 /nfs/dbraw/zinc/47/88/46/512478846.db2.gz XVMHHLAGSQMQEN-HNNXBMFYSA-N 1 0 368.437 2.914 20 5 FFBDRO COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000411410975 512623802 /nfs/dbraw/zinc/62/38/02/512623802.db2.gz XGTNHVDKSUYXNY-SCLBCKFNSA-N 1 0 363.414 2.635 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(CC(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)c1F ZINC000411414186 512624973 /nfs/dbraw/zinc/62/49/73/512624973.db2.gz HSHJKCAJGNISAY-STQMWFEESA-N 1 0 367.421 2.664 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(CC(=O)NC2CC[NH+](C(C)(C)C)CC2)c1F ZINC000411520571 512672462 /nfs/dbraw/zinc/67/24/62/512672462.db2.gz QNKHBVIVKUXAJK-UHFFFAOYSA-N 1 0 367.421 2.664 20 5 FFBDRO O=C(CC[NH2+][C@H]1CCCC[C@@H]1n1cccn1)Nc1ccccc1[N+](=O)[O-] ZINC000411559455 512688529 /nfs/dbraw/zinc/68/85/29/512688529.db2.gz NQNIUBXJOHJUDX-HOCLYGCPSA-N 1 0 357.414 2.893 20 5 FFBDRO COC(=O)[C@@H]1C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1c1ccccc1 ZINC000374169575 512690507 /nfs/dbraw/zinc/69/05/07/512690507.db2.gz DEMGKYZKKXCPBN-OTWHNJEPSA-N 1 0 370.405 2.517 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000378500222 512793161 /nfs/dbraw/zinc/79/31/61/512793161.db2.gz WQIZPYJOUKKORH-CZUORRHYSA-N 1 0 354.410 2.747 20 5 FFBDRO CCOC[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000411818103 512829221 /nfs/dbraw/zinc/82/92/21/512829221.db2.gz KHZXDLQYAPNIRX-CQSZACIVSA-N 1 0 365.430 2.823 20 5 FFBDRO C[C@@H](C(=O)Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)[NH+]1[C@H](C)CC[C@H]1C ZINC000411996281 512907392 /nfs/dbraw/zinc/90/73/92/512907392.db2.gz GEQJXDHFJOITQK-UTUOFQBUSA-N 1 0 358.402 2.580 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]2)c(Cl)c1 ZINC000392134110 512922732 /nfs/dbraw/zinc/92/27/32/512922732.db2.gz JCBMPNOBEUOVNN-KGLIPLIRSA-N 1 0 373.862 2.543 20 5 FFBDRO CCn1c(C)nc([N+](=O)[O-])c1NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397507096 512946074 /nfs/dbraw/zinc/94/60/74/512946074.db2.gz HBGUHZFMSBPMOC-UHFFFAOYSA-N 1 0 373.457 2.559 20 5 FFBDRO C[NH+]1CCC([C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000412210098 512998193 /nfs/dbraw/zinc/99/81/93/512998193.db2.gz DHDHIJNISPULBA-NZSAHSFTSA-N 1 0 357.454 2.889 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(CC(=O)NCC[C@H](C)[NH+]2CCCCC2)c1F ZINC000412249654 513011574 /nfs/dbraw/zinc/01/15/74/513011574.db2.gz JUZJDTLCEXWYHE-ZDUSSCGKSA-N 1 0 367.421 2.666 20 5 FFBDRO O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1cc(F)ccc1[N+](=O)[O-] ZINC000374894892 513059450 /nfs/dbraw/zinc/05/94/50/513059450.db2.gz LUIGDDSDMSAJHH-GDBMZVCRSA-N 1 0 361.348 2.749 20 5 FFBDRO Cc1c(NC(=O)CCN2CCC3(CCC[N@H+]3C)CC2)cccc1[N+](=O)[O-] ZINC000374975937 513094898 /nfs/dbraw/zinc/09/48/98/513094898.db2.gz DOARJXHHCADJPS-UHFFFAOYSA-N 1 0 360.458 2.792 20 5 FFBDRO CC(C)OCC[NH+]1CCC(Nc2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000450367984 513161913 /nfs/dbraw/zinc/16/19/13/513161913.db2.gz YTUBRGZFAHRSIH-UHFFFAOYSA-N 1 0 358.442 2.866 20 5 FFBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1C[C@@H](SC)[C@@H]([NH+](C)C)C1 ZINC000450409089 513180977 /nfs/dbraw/zinc/18/09/77/513180977.db2.gz XCAOGPHIRWMONA-JKSUJKDBSA-N 1 0 362.455 2.633 20 5 FFBDRO COc1cc(C[NH2+][C@@H]2C[C@H]3OCCC[C@H]23)c([N+](=O)[O-])cc1OCC(F)F ZINC000439785345 513183376 /nfs/dbraw/zinc/18/33/76/513183376.db2.gz YMOTYUNHTPAWGQ-YRGRVCCFSA-N 1 0 372.368 2.904 20 5 FFBDRO C[C@H]([NH3+])C1CCN(C(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000428899823 513218795 /nfs/dbraw/zinc/21/87/95/513218795.db2.gz GKVJERFWOWAPQG-QWRGUYRKSA-N 1 0 355.822 2.601 20 5 FFBDRO Cc1ccc([C@H](C)NC(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000417850224 513237663 /nfs/dbraw/zinc/23/76/63/513237663.db2.gz MHEVBYGXHOSTME-USXIJHARSA-N 1 0 360.458 2.995 20 5 FFBDRO COc1ccc(-c2ccc(C[N@@H+]3CC[C@@H](NC(C)=O)C3)o2)c([N+](=O)[O-])c1 ZINC000421390590 513246604 /nfs/dbraw/zinc/24/66/04/513246604.db2.gz OEDSFENKQBJKCI-CYBMUJFWSA-N 1 0 359.382 2.574 20 5 FFBDRO COc1cc(C(=O)NCC[C@H](C)[NH+]2CCCCC2)c([N+](=O)[O-])cc1F ZINC000450568807 513254715 /nfs/dbraw/zinc/25/47/15/513254715.db2.gz TXVKONAGNRUWQZ-LBPRGKRZSA-N 1 0 353.394 2.737 20 5 FFBDRO COc1ccc(NC(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)cc1[N+](=O)[O-] ZINC000415436484 513261071 /nfs/dbraw/zinc/26/10/71/513261071.db2.gz JWMNFMMMLJYARJ-INIZCTEOSA-N 1 0 362.430 2.845 20 5 FFBDRO CC(C)[C@H]([NH3+])CNC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000429152586 513291845 /nfs/dbraw/zinc/29/18/45/513291845.db2.gz XDBSQSAIGCVLOB-IIAWOOMASA-N 1 0 362.474 2.790 20 5 FFBDRO COc1ccc(OCC[N@@H+]2CCOC[C@H](C3CCC3)C2)c([N+](=O)[O-])c1 ZINC000429237047 513311835 /nfs/dbraw/zinc/31/18/35/513311835.db2.gz OBQNHYAMAWBIDV-OAHLLOKOSA-N 1 0 350.415 2.731 20 5 FFBDRO O=[N+]([O-])c1ccccc1N1CC[NH+](CCc2ccc3c(c2)CCO3)CC1 ZINC000434526117 513348010 /nfs/dbraw/zinc/34/80/10/513348010.db2.gz NHPWGFNIQGJJRW-UHFFFAOYSA-N 1 0 353.422 2.894 20 5 FFBDRO C[NH2+]C[C@H]1CCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)C1 ZINC000415653151 513364494 /nfs/dbraw/zinc/36/44/94/513364494.db2.gz HYNNYBSAQZBDIG-SNVBAGLBSA-N 1 0 371.235 2.739 20 5 FFBDRO Cc1c(NC(=O)N[C@H]2CC[NH2+]C2(C)C)cc(Br)cc1[N+](=O)[O-] ZINC000415666678 513369804 /nfs/dbraw/zinc/36/98/04/513369804.db2.gz XDHMVTYRUAFWRT-LBPRGKRZSA-N 1 0 371.235 2.928 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000450864447 513373129 /nfs/dbraw/zinc/37/31/29/513373129.db2.gz QZKSDYJZGKSZCO-FSPWUOQZSA-N 1 0 359.426 2.779 20 5 FFBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000421701473 513375107 /nfs/dbraw/zinc/37/51/07/513375107.db2.gz HSIFVKMXPGQNCA-CQSZACIVSA-N 1 0 360.439 2.885 20 5 FFBDRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000418121609 513381079 /nfs/dbraw/zinc/38/10/79/513381079.db2.gz XGPFNDQHPGTYPX-LSDHHAIUSA-N 1 0 359.426 2.742 20 5 FFBDRO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000415700584 513388136 /nfs/dbraw/zinc/38/81/36/513388136.db2.gz MWZPHXVMGURWGY-PHIMTYICSA-N 1 0 369.219 2.716 20 5 FFBDRO [NH3+]CC1CCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000415701363 513388731 /nfs/dbraw/zinc/38/87/31/513388731.db2.gz OCLZOZSEZYDLTL-UHFFFAOYSA-N 1 0 357.208 2.560 20 5 FFBDRO Cn1c(C(=O)Nc2nc3c(s2)C[N@@H+](C(C)(C)C)CC3)ccc1[N+](=O)[O-] ZINC000425083640 513405320 /nfs/dbraw/zinc/40/53/20/513405320.db2.gz PVEDHEFHXIVSRO-UHFFFAOYSA-N 1 0 363.443 2.799 20 5 FFBDRO CN1CC[NH+](CC2CCN(c3nccc4ccc([N+](=O)[O-])cc43)CC2)CC1 ZINC000413065887 513419696 /nfs/dbraw/zinc/41/96/96/513419696.db2.gz CFYNYSPHAOPFKN-UHFFFAOYSA-N 1 0 369.469 2.607 20 5 FFBDRO CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c(C)cc2C)C[C@@H]1[NH+]1CCCC1 ZINC000421806571 513438778 /nfs/dbraw/zinc/43/87/78/513438778.db2.gz ZULYNTNDKZGKRZ-IRXDYDNUSA-N 1 0 363.483 2.863 20 5 FFBDRO C[NH2+]Cc1ccccc1NC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000415907026 513471888 /nfs/dbraw/zinc/47/18/88/513471888.db2.gz ZHQVAKNZWXNFSX-UHFFFAOYSA-N 1 0 369.425 2.668 20 5 FFBDRO O=C1CCCCCN1CCC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447514423 513494711 /nfs/dbraw/zinc/49/47/11/513494711.db2.gz FAJBOEGTKHRGFP-HOTGVXAUSA-N 1 0 363.462 2.657 20 5 FFBDRO CN(Cc1ccccc1)C(=O)C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447538538 513501831 /nfs/dbraw/zinc/50/18/31/513501831.db2.gz BVYDGJFACLXCLS-IAGOWNOFSA-N 1 0 371.441 2.523 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]Cc2nncn2-c2ccccc2)n1 ZINC000447538787 513502039 /nfs/dbraw/zinc/50/20/39/513502039.db2.gz DGUCHLQRENMBRF-HZPDHXFCSA-N 1 0 367.413 2.646 20 5 FFBDRO O=C(Nc1ccc2c(c1)C[NH2+]CCO2)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000415965903 513505873 /nfs/dbraw/zinc/50/58/73/513505873.db2.gz AVSIWAALTZCNOQ-UHFFFAOYSA-N 1 0 368.393 2.667 20 5 FFBDRO C[C@H]([NH2+]CC(=O)NC(=O)N[C@H]1CCCC[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000451100600 513520322 /nfs/dbraw/zinc/52/03/22/513520322.db2.gz VSRYDXSKJDCZBR-WWGRRREGSA-N 1 0 362.430 2.650 20 5 FFBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)NC(=O)NC1CCCCC1 ZINC000451101947 513522269 /nfs/dbraw/zinc/52/22/69/513522269.db2.gz GKPBJAWCWYBFCY-QWHCGFSZSA-N 1 0 362.430 2.792 20 5 FFBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)NC(=O)NCc1ccccc1 ZINC000451106634 513527585 /nfs/dbraw/zinc/52/75/85/513527585.db2.gz WGGSDAOOUJEYOX-UONOGXRCSA-N 1 0 370.409 2.660 20 5 FFBDRO [NH3+]CC[C@H](NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)C(F)(F)F ZINC000416008966 513536191 /nfs/dbraw/zinc/53/61/91/513536191.db2.gz OHJNFYZZFKHXPC-ZDUSSCGKSA-N 1 0 360.336 2.549 20 5 FFBDRO C[NH+](C)[C@H]1CCOc2c(NC(=O)COc3cccc([N+](=O)[O-])c3)cccc21 ZINC000447723547 513553280 /nfs/dbraw/zinc/55/32/80/513553280.db2.gz PTNPROSBIIHCCI-KRWDZBQOSA-N 1 0 371.393 2.998 20 5 FFBDRO Cc1cnc(OC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c([N+](=O)[O-])c1 ZINC000430117262 513558394 /nfs/dbraw/zinc/55/83/94/513558394.db2.gz YTSLAKVDJOVERO-KRWDZBQOSA-N 1 0 357.410 2.968 20 5 FFBDRO CN(C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)C(C)(C)C[NH+]1CCCC1 ZINC000416105930 513573715 /nfs/dbraw/zinc/57/37/15/513573715.db2.gz LQGOWNDLZXOOHE-UHFFFAOYSA-N 1 0 358.442 2.882 20 5 FFBDRO O=[N+]([O-])c1ccc(CN2CCOCC2)cc1NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000447813615 513578184 /nfs/dbraw/zinc/57/81/84/513578184.db2.gz SRJBCVFRMJYBIU-GOSISDBHSA-N 1 0 374.485 2.856 20 5 FFBDRO COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000451231614 513610599 /nfs/dbraw/zinc/61/05/99/513610599.db2.gz QXSYIIXBVKJIEC-KGLIPLIRSA-N 1 0 363.414 2.553 20 5 FFBDRO CN(C(=O)[C@@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1)c1ccccc1 ZINC000430298356 513615852 /nfs/dbraw/zinc/61/58/52/513615852.db2.gz GSHXGFFGRMRXQA-MRXNPFEDSA-N 1 0 369.421 2.959 20 5 FFBDRO Cc1ncsc1CN(C[C@H]1CC[NH2+]C1)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000435596652 513630394 /nfs/dbraw/zinc/63/03/94/513630394.db2.gz GNEWKNRIIYTVBA-HNNXBMFYSA-N 1 0 374.466 2.541 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H](c2ccc(F)c(Cl)c2)C2CC2)c1 ZINC000451354557 513698051 /nfs/dbraw/zinc/69/80/51/513698051.db2.gz NMBQOSZZYUSVNT-CJNGLKHVSA-N 1 0 368.796 2.686 20 5 FFBDRO C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])n2C)CC[N@@H+]1Cc1ccccc1 ZINC000430662864 513715131 /nfs/dbraw/zinc/71/51/31/513715131.db2.gz KSFDTVUAOZOSFK-ZBFHGGJFSA-N 1 0 356.426 2.716 20 5 FFBDRO C[N@@H+]1CC[C@H](CNC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000436070263 513751808 /nfs/dbraw/zinc/75/18/08/513751808.db2.gz VLVQYPKVCIBUJH-LLVKDONJSA-N 1 0 371.387 2.641 20 5 FFBDRO CO[C@@H]1[C@H](C)[C@@H]([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1(C)C ZINC000451504422 513794115 /nfs/dbraw/zinc/79/41/15/513794115.db2.gz SELQYTWTOHZKBM-DFKRKDTASA-N 1 0 355.822 2.836 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](C[C@@H](O)COCC(F)(F)F)C2)cc1 ZINC000451554154 513829380 /nfs/dbraw/zinc/82/93/80/513829380.db2.gz ZKCUFNCSFVKVHZ-UKRRQHHQSA-N 1 0 362.348 2.714 20 5 FFBDRO COc1cc(CN2CCC3(CC[NH2+]3)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000422561999 513845054 /nfs/dbraw/zinc/84/50/54/513845054.db2.gz OUXHHQNOLOMDHF-UHFFFAOYSA-N 1 0 357.357 2.533 20 5 FFBDRO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000451586319 513848785 /nfs/dbraw/zinc/84/87/85/513848785.db2.gz HBQLGPQWUHZYCM-ZBFHGGJFSA-N 1 0 363.414 2.553 20 5 FFBDRO CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000451591281 513852705 /nfs/dbraw/zinc/85/27/05/513852705.db2.gz NKJMRBQAGDYGMY-CABCVRRESA-N 1 0 374.397 2.856 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]([C@H](CO)C1CC1)C1CC1 ZINC000451606534 513862722 /nfs/dbraw/zinc/86/27/22/513862722.db2.gz LUEPXQPMZFHOFS-VQIMIIECSA-N 1 0 361.442 2.619 20 5 FFBDRO COc1cc(C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000448776251 513892439 /nfs/dbraw/zinc/89/24/39/513892439.db2.gz FJYYAWPFWIKJLF-LBPRGKRZSA-N 1 0 367.421 2.983 20 5 FFBDRO C[C@@H]1C[C@@H](NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000431493324 513911668 /nfs/dbraw/zinc/91/16/68/513911668.db2.gz AYTZPEXLFDBALX-SKDRFNHKSA-N 1 0 356.220 2.570 20 5 FFBDRO NC(=O)CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCOc2ccccc21 ZINC000451709423 513928483 /nfs/dbraw/zinc/92/84/83/513928483.db2.gz BYANTPYMQMPNHQ-KRWDZBQOSA-N 1 0 355.394 2.796 20 5 FFBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NCC[C@@H]1CCC[NH2+]C1 ZINC000422801684 513936905 /nfs/dbraw/zinc/93/69/05/513936905.db2.gz ABNSLGPUWPNUCJ-NSHDSACASA-N 1 0 357.863 2.846 20 5 FFBDRO NC(=O)CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCOc2ccccc21 ZINC000451728912 513942392 /nfs/dbraw/zinc/94/23/92/513942392.db2.gz UJIXHTLVFLGRAX-QGZVFWFLSA-N 1 0 355.394 2.796 20 5 FFBDRO CC[C@H]1C[N@H+](CC)CCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000451732269 513945263 /nfs/dbraw/zinc/94/52/63/513945263.db2.gz SKEVCRYGAPJENY-LBPRGKRZSA-N 1 0 354.838 2.603 20 5 FFBDRO CC[NH+]1CCC(N(C)C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)CC1 ZINC000448877561 513946499 /nfs/dbraw/zinc/94/64/99/513946499.db2.gz HNXGAMLVQYDFMA-UHFFFAOYSA-N 1 0 357.414 2.541 20 5 FFBDRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000414091977 513972811 /nfs/dbraw/zinc/97/28/11/513972811.db2.gz LLEWZFOPTRIEFE-LLVKDONJSA-N 1 0 366.215 2.697 20 5 FFBDRO Cc1cc(OCC(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000431836428 514014428 /nfs/dbraw/zinc/01/44/28/514014428.db2.gz RFLZKGRCBSZKNE-QGZVFWFLSA-N 1 0 371.437 2.571 20 5 FFBDRO Cc1ccc(C)c(S(=O)(=O)NC(C)(C)CCC[NH+](C)C)c1[N+](=O)[O-] ZINC000451887782 514047629 /nfs/dbraw/zinc/04/76/29/514047629.db2.gz KFPXZQKYKBINKP-UHFFFAOYSA-N 1 0 357.476 2.610 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCNC(=O)Cc1cccc(F)c1 ZINC000449056505 514054928 /nfs/dbraw/zinc/05/49/28/514054928.db2.gz PXPUOSJIKVDQQS-CQSZACIVSA-N 1 0 359.401 2.613 20 5 FFBDRO O=C1CCc2cc([N+](=O)[O-])c(NC[C@@H]3[NH2+]CCc4ccccc43)cc2N1 ZINC000420243246 514059186 /nfs/dbraw/zinc/05/91/86/514059186.db2.gz CPNRMRWSPQMPAT-KRWDZBQOSA-N 1 0 352.394 2.778 20 5 FFBDRO COC(=O)c1cc(NC(=O)C2(C[NH+](C)C)CCCCC2)cc([N+](=O)[O-])c1 ZINC000426874738 514063681 /nfs/dbraw/zinc/06/36/81/514063681.db2.gz JTWQXJUABFBJFA-UHFFFAOYSA-N 1 0 363.414 2.832 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCNC(=O)c1cccc(O)c1 ZINC000449110166 514075173 /nfs/dbraw/zinc/07/51/73/514075173.db2.gz BELMELBOQHWEFT-AWEZNQCLSA-N 1 0 357.410 2.641 20 5 FFBDRO C[C@@H](C[NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000449130902 514084950 /nfs/dbraw/zinc/08/49/50/514084950.db2.gz ITTPANUTTSQZJF-AWEZNQCLSA-N 1 0 362.451 2.934 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCNC(=O)c1c(F)cccc1F ZINC000449142539 514091148 /nfs/dbraw/zinc/09/11/48/514091148.db2.gz OJEOBENQEBRLLN-LBPRGKRZSA-N 1 0 363.364 2.824 20 5 FFBDRO Cc1c(NC(=O)[C@H](C)N2CCC([C@@H]3CCC[NH2+]3)CC2)cccc1[N+](=O)[O-] ZINC000420332146 514098461 /nfs/dbraw/zinc/09/84/61/514098461.db2.gz CRFFEQWPAVGUCE-YOEHRIQHSA-N 1 0 360.458 2.694 20 5 FFBDRO Cc1cc(OCC(=O)NCCC[NH+](C(C)C)C(C)C)ccc1[N+](=O)[O-] ZINC000432119220 514099111 /nfs/dbraw/zinc/09/91/11/514099111.db2.gz CEWKWWQIJFCYFQ-UHFFFAOYSA-N 1 0 351.447 2.907 20 5 FFBDRO C[NH2+]CCN(C)[C@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000420340367 514100988 /nfs/dbraw/zinc/10/09/88/514100988.db2.gz RPBIUWWWQMGVRX-SFHVURJKSA-N 1 0 356.426 2.734 20 5 FFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000423359323 514116624 /nfs/dbraw/zinc/11/66/24/514116624.db2.gz OWSHIWFLXDGQGK-CYBMUJFWSA-N 1 0 354.410 2.705 20 5 FFBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])C1CCN(CC(F)(F)F)CC1 ZINC000452038256 514154419 /nfs/dbraw/zinc/15/44/19/514154419.db2.gz MJVIIISDCZWOJO-UHFFFAOYSA-N 1 0 361.364 2.932 20 5 FFBDRO Cc1cc(OCC(=O)NCc2ccc(CC[NH+](C)C)cc2)ccc1[N+](=O)[O-] ZINC000432378122 514178510 /nfs/dbraw/zinc/17/85/10/514178510.db2.gz OYEJRWBJCLHDIE-UHFFFAOYSA-N 1 0 371.437 2.703 20 5 FFBDRO C[C@@H](NC(=O)NC[C@@H]1[NH2+]CCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000417128375 514181727 /nfs/dbraw/zinc/18/17/27/514181727.db2.gz IHJDRMUGQQXUPT-ACJLOTCBSA-N 1 0 354.410 2.842 20 5 FFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](CO)c1ccc(F)cc1 ZINC000449380423 514187448 /nfs/dbraw/zinc/18/74/48/514187448.db2.gz MYKBKWUCEVSROG-SJCJKPOMSA-N 1 0 361.373 2.774 20 5 FFBDRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000423636940 514190605 /nfs/dbraw/zinc/19/06/05/514190605.db2.gz QQLXYLKEVUSLTE-FCHSOHFDSA-N 1 0 357.863 2.843 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000427357026 514192993 /nfs/dbraw/zinc/19/29/93/514192993.db2.gz KQKUPZXHXIIODL-QGZVFWFLSA-N 1 0 369.421 2.950 20 5 FFBDRO O=C(C[C@H]1CCC[NH2+]CC1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000427372182 514197155 /nfs/dbraw/zinc/19/71/55/514197155.db2.gz JYQHYWHLECWVQY-HNNXBMFYSA-N 1 0 361.442 2.744 20 5 FFBDRO C[C@@H]1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000423687638 514200773 /nfs/dbraw/zinc/20/07/73/514200773.db2.gz VVLLBMPCYRNMTH-ZYHUDNBSSA-N 1 0 357.863 2.926 20 5 FFBDRO Cc1ccc([C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c2ccccc2)cc1 ZINC000437647254 514203307 /nfs/dbraw/zinc/20/33/07/514203307.db2.gz RHBOJPVNKVFLQE-VQTJNVASSA-N 1 0 366.421 2.840 20 5 FFBDRO COc1cc(C(=O)N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000452121721 514205013 /nfs/dbraw/zinc/20/50/13/514205013.db2.gz KUQPZBSSNPROOY-YWPYICTPSA-N 1 0 365.405 2.545 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000417180054 514215588 /nfs/dbraw/zinc/21/55/88/514215588.db2.gz MYEIDULXFKAOKB-KRWDZBQOSA-N 1 0 372.425 2.883 20 5 FFBDRO CC(C)[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H](CO)C(C)C ZINC000449504572 514232286 /nfs/dbraw/zinc/23/22/86/514232286.db2.gz AASFCZJKLNWWAT-DLBZAZTESA-N 1 0 352.431 2.840 20 5 FFBDRO [NH3+]CCCN(Cc1ccccc1)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000417212813 514235022 /nfs/dbraw/zinc/23/50/22/514235022.db2.gz BMRUEQAJMNXVLR-UHFFFAOYSA-N 1 0 356.426 2.698 20 5 FFBDRO Cn1cc(C[NH2+][C@@H]([C@H](CO)C2CC2)C2CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000449514603 514235185 /nfs/dbraw/zinc/23/51/85/514235185.db2.gz YMCWNQJIOAFORC-UYAOXDASSA-N 1 0 370.453 2.882 20 5 FFBDRO CCN1C[C@H]([NH2+]Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)CC1=O ZINC000449517141 514237233 /nfs/dbraw/zinc/23/72/33/514237233.db2.gz IZTHTRUAUUZTPZ-GFCCVEGCSA-N 1 0 359.382 2.574 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N[C@@H]3C[NH2+]CC[C@@H]3C)cc2[N+](=O)[O-])C1 ZINC000427589998 514257553 /nfs/dbraw/zinc/25/75/53/514257553.db2.gz VZEJFXRWWJZTRL-IJEWVQPXSA-N 1 0 360.458 2.559 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCO[C@@H](c2ccnn2C)C1 ZINC000449582362 514263055 /nfs/dbraw/zinc/26/30/55/514263055.db2.gz FVXMNLUEXQHNTH-KBXCAEBGSA-N 1 0 360.414 2.737 20 5 FFBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@H](C)[C@H](C)[NH3+])cc1 ZINC000449584170 514263258 /nfs/dbraw/zinc/26/32/58/514263258.db2.gz CLTNWWJKOXXCBH-NWDGAFQWSA-N 1 0 359.382 2.861 20 5 FFBDRO CC[C@H]([NH3+])CNC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(OC)cc1 ZINC000449606473 514270396 /nfs/dbraw/zinc/27/03/96/514270396.db2.gz RBNOUJVYUIVTAH-LBPRGKRZSA-N 1 0 359.382 2.863 20 5 FFBDRO CCOc1cc(NC(=O)N2C[C@H](C)[NH2+]C[C@H]2C)c([N+](=O)[O-])cc1OCC ZINC000414762084 514279681 /nfs/dbraw/zinc/27/96/81/514279681.db2.gz VJOFBRKLSAIJDT-NWDGAFQWSA-N 1 0 366.418 2.606 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000449683587 514302097 /nfs/dbraw/zinc/30/20/97/514302097.db2.gz PNCTXEMWVSEBSG-AAEUAGOBSA-N 1 0 355.822 2.664 20 5 FFBDRO C[C@@H]1CN(C(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)C[C@@]1(C)C[NH3+] ZINC000423997513 514328632 /nfs/dbraw/zinc/32/86/32/514328632.db2.gz YKNUSXXLQSBTPP-FOIQADDNSA-N 1 0 374.485 2.888 20 5 FFBDRO CC[C@@H]([NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1)C(=O)NC ZINC000449774412 514349850 /nfs/dbraw/zinc/34/98/50/514349850.db2.gz LTPMESATIRMHEJ-MRXNPFEDSA-N 1 0 356.426 2.977 20 5 FFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC1(CO)CC2(CCC2)C1 ZINC000433057393 514364835 /nfs/dbraw/zinc/36/48/35/514364835.db2.gz LDYHZODMQWNDLK-AWEZNQCLSA-N 1 0 361.442 2.844 20 5 FFBDRO O=C(NCCC[C@H]1CCC[NH2+]1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414941969 514366280 /nfs/dbraw/zinc/36/62/80/514366280.db2.gz DCZNDZSMPUDVGT-SNVBAGLBSA-N 1 0 358.345 2.850 20 5 FFBDRO C[C@@H]1C[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2Br)C[C@@H]1C[NH3+] ZINC000424066772 514366382 /nfs/dbraw/zinc/36/63/82/514366382.db2.gz GDTLOPCNCYNXQT-VWYCJHECSA-N 1 0 370.247 2.803 20 5 FFBDRO [NH3+][C@H]1CCC[C@@H](CNC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000414960281 514376780 /nfs/dbraw/zinc/37/67/80/514376780.db2.gz YBXHYCQWWXWMRT-ZJUUUORDSA-N 1 0 358.345 2.835 20 5 FFBDRO CN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)[C@@H]1C[NH+]2CCC1CC2 ZINC000433133238 514393776 /nfs/dbraw/zinc/39/37/76/514393776.db2.gz DMQJERRQFQGVIE-CQSZACIVSA-N 1 0 368.231 2.524 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ccc(CNC[C@H]3C[NH2+]CCCO3)o2)c(Cl)c1 ZINC000415047720 514415352 /nfs/dbraw/zinc/41/53/52/514415352.db2.gz WFDWBUMHHCUXQG-CQSZACIVSA-N 1 0 365.817 2.976 20 5 FFBDRO CC1(C)C[C@@H]([NH2+]C[C@@H]2CCCCS2(=O)=O)c2cc([N+](=O)[O-])ccc21 ZINC000433219034 514426251 /nfs/dbraw/zinc/42/62/51/514426251.db2.gz ILVOPXSGXFPDLU-XJKSGUPXSA-N 1 0 352.456 2.874 20 5 FFBDRO COc1cc(CN2CC[C@@H](C)[C@@H](C[NH3+])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000415103288 514445821 /nfs/dbraw/zinc/44/58/21/514445821.db2.gz DAZFSFZHEJADGZ-PWSUYJOCSA-N 1 0 359.373 2.622 20 5 FFBDRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000415110046 514447119 /nfs/dbraw/zinc/44/71/19/514447119.db2.gz OSTYUHPAVWCGAV-SJORKVTESA-N 1 0 353.850 2.967 20 5 FFBDRO COC1([C@H](C)[NH2+]Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CCOCC1 ZINC000421033389 514449534 /nfs/dbraw/zinc/44/95/34/514449534.db2.gz MTMMHNCDQMUEOF-ZDUSSCGKSA-N 1 0 361.398 2.924 20 5 FFBDRO [NH3+][C@@H]1CCO[C@H](C2CCN(Cc3ccc([N+](=O)[O-])cc3Cl)CC2)C1 ZINC000415119907 514451344 /nfs/dbraw/zinc/45/13/44/514451344.db2.gz FUJZHZVBNZPSIS-PBHICJAKSA-N 1 0 353.850 2.967 20 5 FFBDRO CS(=O)(=O)CCCC[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000424305527 514452232 /nfs/dbraw/zinc/45/22/32/514452232.db2.gz DSSRAOYETZTNQW-ZBFHGGJFSA-N 1 0 354.472 2.720 20 5 FFBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000449990900 514456703 /nfs/dbraw/zinc/45/67/03/514456703.db2.gz KNBLULBSTJSHGI-HNNXBMFYSA-N 1 0 371.441 2.584 20 5 FFBDRO CC[C@H]([NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC000453099768 514545130 /nfs/dbraw/zinc/54/51/30/514545130.db2.gz YPUZKYATGHOAEJ-HNNXBMFYSA-N 1 0 369.468 2.676 20 5 FFBDRO CC[NH+](CC)CC1CCN(C(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000466138197 514565225 /nfs/dbraw/zinc/56/52/25/514565225.db2.gz IUXUMBHZKZPTME-UHFFFAOYSA-N 1 0 362.474 2.901 20 5 FFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCN(CCCO)C1 ZINC000453268551 514582615 /nfs/dbraw/zinc/58/26/15/514582615.db2.gz QEEUNAIVJKPLDU-JKSUJKDBSA-N 1 0 367.515 2.902 20 5 FFBDRO CCCC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)C(=O)Nc1cc(C)on1 ZINC000479471188 514596916 /nfs/dbraw/zinc/59/69/16/514596916.db2.gz OJHDINBFIDBTMT-OAHLLOKOSA-N 1 0 360.414 2.909 20 5 FFBDRO CN(C)C(=O)CC[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000507930725 514615660 /nfs/dbraw/zinc/61/56/60/514615660.db2.gz NEMMSYILOAJCKR-UHFFFAOYSA-N 1 0 356.426 2.931 20 5 FFBDRO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000502608719 514715914 /nfs/dbraw/zinc/71/59/14/514715914.db2.gz VKWKFUQBCIYRJT-KBPBESRZSA-N 1 0 353.850 2.933 20 5 FFBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000508342018 514749525 /nfs/dbraw/zinc/74/95/25/514749525.db2.gz JTCSABFOQZVDNW-KBPBESRZSA-N 1 0 351.472 2.924 20 5 FFBDRO Cc1cc(N2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000461937931 514796823 /nfs/dbraw/zinc/79/68/23/514796823.db2.gz WFKPXBHKUOHDFM-CQSZACIVSA-N 1 0 350.438 2.647 20 5 FFBDRO CCn1nc(C)c([N+](=O)[O-])c1NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000479993859 514802155 /nfs/dbraw/zinc/80/21/55/514802155.db2.gz WHRCXGOFSUSLAF-UHFFFAOYSA-N 1 0 361.446 2.715 20 5 FFBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2Br)C[C@@H]1C ZINC000498569552 514976213 /nfs/dbraw/zinc/97/62/13/514976213.db2.gz APAHKWGQNLHEOD-QWRGUYRKSA-N 1 0 370.247 2.912 20 5 FFBDRO Cc1cccc(C[C@@H](CO)[NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000467357274 514986880 /nfs/dbraw/zinc/98/68/80/514986880.db2.gz WQJQZAVWTGUJFO-YJBOKZPZSA-N 1 0 371.437 2.814 20 5 FFBDRO O=[N+]([O-])c1cccc2ncnc(NC[C@H](c3ccco3)[NH+]3CCCC3)c21 ZINC000509056486 515004519 /nfs/dbraw/zinc/00/45/19/515004519.db2.gz JRNKTXOZCMAXIH-OAHLLOKOSA-N 1 0 353.382 2.802 20 5 FFBDRO Cc1ccc(C)c(S(=O)(=O)NCC[C@H](C)[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000480695585 515047205 /nfs/dbraw/zinc/04/72/05/515047205.db2.gz SDMJBSHSZCARSO-HNNXBMFYSA-N 1 0 369.487 2.754 20 5 FFBDRO CCS[C@H]1CCCC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000480866808 515118436 /nfs/dbraw/zinc/11/84/36/515118436.db2.gz RKUVMKCTISTZMH-WBVHZDCISA-N 1 0 354.472 2.942 20 5 FFBDRO CC(=O)N1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CC12CCCCC2 ZINC000498921388 515121743 /nfs/dbraw/zinc/12/17/43/515121743.db2.gz CLEKCDKOKQCZCK-UHFFFAOYSA-N 1 0 361.442 2.841 20 5 FFBDRO C[C@H]([NH2+]Cc1ccc([C@@]2(C)NC(=O)NC2=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000467834310 515141642 /nfs/dbraw/zinc/14/16/42/515141642.db2.gz QLPVBRUPAPDUKI-HXPMCKFVSA-N 1 0 368.393 2.500 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])C[C@H]1C ZINC000480985833 515162020 /nfs/dbraw/zinc/16/20/20/515162020.db2.gz WEWGXMOYPHHDIX-HIFRSBDPSA-N 1 0 369.487 2.705 20 5 FFBDRO CCOc1ccc(C(=O)Nc2ccc3c(c2)C[NH2+]CCO3)cc1[N+](=O)[O-] ZINC000462890894 515286173 /nfs/dbraw/zinc/28/61/73/515286173.db2.gz ZLYZWLFACPTRBN-UHFFFAOYSA-N 1 0 357.366 2.728 20 5 FFBDRO Cc1c([C@@H](C)[NH2+]C[C@H](O)COc2ccc3c(c2)OCO3)cccc1[N+](=O)[O-] ZINC000481554756 515377231 /nfs/dbraw/zinc/37/72/31/515377231.db2.gz CBGZCFJZGCYGTN-KGLIPLIRSA-N 1 0 374.393 2.722 20 5 FFBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@H](C)CC[NH3+])cc1 ZINC000477340362 515418174 /nfs/dbraw/zinc/41/81/74/515418174.db2.gz SOZYDAFYHWOFJH-GFCCVEGCSA-N 1 0 359.382 2.863 20 5 FFBDRO COc1ccc(C[NH2+]Cc2cc3ccccc3n(C)c2=O)cc1[N+](=O)[O-] ZINC000491471862 515439050 /nfs/dbraw/zinc/43/90/50/515439050.db2.gz OXHJGUPHZPABPT-UHFFFAOYSA-N 1 0 353.378 2.745 20 5 FFBDRO CN1CC[N@H+](C)C[C@H]1CN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000492178022 515510845 /nfs/dbraw/zinc/51/08/45/515510845.db2.gz JFGXHTIJMDDQAM-WOJBJXKFSA-N 1 0 354.454 2.520 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(N[C@@H](C)C[NH+]2CCN(c3ccccc3)CC2)n1 ZINC000482000439 515543204 /nfs/dbraw/zinc/54/32/04/515543204.db2.gz PEBLKQHTFWZGHN-INIZCTEOSA-N 1 0 355.442 2.921 20 5 FFBDRO CCCN(CC[NH+]1CCCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000510535450 515572758 /nfs/dbraw/zinc/57/27/58/515572758.db2.gz BBTVYBKDHIRFLS-UHFFFAOYSA-N 1 0 369.487 2.790 20 5 FFBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NCC[N@@H+]2CCCC2(C)C)cc1OC ZINC000457076623 515630213 /nfs/dbraw/zinc/63/02/13/515630213.db2.gz OCCNAJFNCHHXEV-UHFFFAOYSA-N 1 0 365.430 2.606 20 5 FFBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000457110643 515658024 /nfs/dbraw/zinc/65/80/24/515658024.db2.gz HZDUORODRDHWOM-GFCCVEGCSA-N 1 0 370.247 2.912 20 5 FFBDRO CC[N@H+](CCNC(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1C)C(C)C ZINC000486879196 515669241 /nfs/dbraw/zinc/66/92/41/515669241.db2.gz KRLYSWVFMYQUSA-UHFFFAOYSA-N 1 0 366.418 2.542 20 5 FFBDRO CO[C@@H](CC[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000469161345 515698797 /nfs/dbraw/zinc/69/87/97/515698797.db2.gz VOUJJOOJQXEAEF-GWCFXTLKSA-N 1 0 363.336 2.869 20 5 FFBDRO C[C@@H](CCCc1cccnc1)[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000459643889 515716320 /nfs/dbraw/zinc/71/63/20/515716320.db2.gz OVVPBUKWFVCOFT-HNNXBMFYSA-N 1 0 368.437 2.880 20 5 FFBDRO C[C@@H]([NH2+]C1(CNC(=O)c2cc([N+](=O)[O-])c[nH]2)CCOCC1)c1ccccc1 ZINC000500466978 515725665 /nfs/dbraw/zinc/72/56/65/515725665.db2.gz SJLIWRIIIYYIIG-CQSZACIVSA-N 1 0 372.425 2.553 20 5 FFBDRO CCOc1cc(C[NH2+]C2(C(N)=O)C3CC4CC(C3)CC2C4)ccc1[N+](=O)[O-] ZINC000459785839 515804528 /nfs/dbraw/zinc/80/45/28/515804528.db2.gz ZQSGYFSNPLKJPA-UHFFFAOYSA-N 1 0 373.453 2.763 20 5 FFBDRO COc1ccc(C(=O)N2CC[C@H](c3ccc(F)cc3)[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000457358371 515827548 /nfs/dbraw/zinc/82/75/48/515827548.db2.gz BARGERCQMBARMJ-HZPDHXFCSA-N 1 0 373.384 2.700 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+][C@H]2CC(C)(C)OC2(C)C)cc1[N+](=O)[O-] ZINC000473990404 515833288 /nfs/dbraw/zinc/83/32/88/515833288.db2.gz VIWYPLHGUCHHEP-HNNXBMFYSA-N 1 0 366.414 2.582 20 5 FFBDRO CCc1cnccc1[C@@H](C)[NH2+]Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000474024390 515848288 /nfs/dbraw/zinc/84/82/88/515848288.db2.gz WIGOJUQKFJWMHO-CYBMUJFWSA-N 1 0 373.409 2.955 20 5 FFBDRO Cc1ccsc1[C@@H](CO)[NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000494685171 515922776 /nfs/dbraw/zinc/92/27/76/515922776.db2.gz IQPNSSBLFXQJDT-CQSZACIVSA-N 1 0 363.439 2.925 20 5 FFBDRO C[C@@H]1CCC[C@](CNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)([NH+](C)C)C1 ZINC000487772486 515970408 /nfs/dbraw/zinc/97/04/08/515970408.db2.gz UQSRYBUUGOKOOP-XIKOKIGWSA-N 1 0 363.414 2.564 20 5 FFBDRO CCSCC[C@@H](C)[N@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000464855145 515989617 /nfs/dbraw/zinc/98/96/17/515989617.db2.gz WWZDMXQGJKOUAQ-LLVKDONJSA-N 1 0 369.443 2.726 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+][C@@H](C)Cc2cccc(O)c2)cc1[N+](=O)[O-] ZINC000474368906 516015179 /nfs/dbraw/zinc/01/51/79/516015179.db2.gz IQVPLPJMOICQFU-ZDUSSCGKSA-N 1 0 374.393 2.573 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2CCCc3occc32)cc1[N+](=O)[O-] ZINC000474371040 516016861 /nfs/dbraw/zinc/01/68/61/516016861.db2.gz LATHOZKCGIGRRB-CQSZACIVSA-N 1 0 360.366 2.907 20 5 FFBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000487925648 516035526 /nfs/dbraw/zinc/03/55/26/516035526.db2.gz WVQYQZZDGFOOKU-XHDPSFHLSA-N 1 0 366.849 2.573 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)c1 ZINC000460222867 516075479 /nfs/dbraw/zinc/07/54/79/516075479.db2.gz AHNNPGAYPACLKZ-UHFFFAOYSA-N 1 0 353.422 2.732 20 5 FFBDRO COCC[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@@H]1CCC[C@H]1C ZINC000488075548 516106315 /nfs/dbraw/zinc/10/63/15/516106315.db2.gz ORWNDZLMNVGGEE-RHSMWYFYSA-N 1 0 361.442 2.621 20 5 FFBDRO CCC1CCC([N@H+](CCO)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000488198954 516154715 /nfs/dbraw/zinc/15/47/15/516154715.db2.gz JSZKJIAOCQKOBT-LEOMRAHMSA-N 1 0 366.458 2.598 20 5 FFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCN(c2ccnc(C)n2)CC1 ZINC000470208595 516172947 /nfs/dbraw/zinc/17/29/47/516172947.db2.gz ZSXHOYRJELQYAE-QINSGFPZSA-N 1 0 353.426 2.919 20 5 FFBDRO O=C(NCc1ccccc1C[NH+]1CCCCCC1)c1cc([N+](=O)[O-])n[nH]1 ZINC000512310356 516234586 /nfs/dbraw/zinc/23/45/86/516234586.db2.gz QVMYGZGCVNKBGE-UHFFFAOYSA-N 1 0 357.414 2.624 20 5 FFBDRO COc1ccc(NC(=O)NCC[N@H+](C)C2CCCCC2)cc1[N+](=O)[O-] ZINC000483933745 516250733 /nfs/dbraw/zinc/25/07/33/516250733.db2.gz OWERXRIIXFPOFG-UHFFFAOYSA-N 1 0 350.419 2.989 20 5 FFBDRO COc1ccccc1[C@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)[NH+]1CCCC1 ZINC000496502736 516265218 /nfs/dbraw/zinc/26/52/18/516265218.db2.gz CRPZMEFSJUPWIB-INIZCTEOSA-N 1 0 372.425 2.509 20 5 FFBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(c2ncc(Br)cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488727238 516295263 /nfs/dbraw/zinc/29/52/63/516295263.db2.gz WJRGMUKMWKPYDJ-GMXVVIOVSA-N 1 0 369.263 2.919 20 5 FFBDRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C)C1 ZINC000507845367 516313123 /nfs/dbraw/zinc/31/31/23/516313123.db2.gz RXPBDZKTMRGKRB-CQSZACIVSA-N 1 0 358.446 2.558 20 5 FFBDRO C[NH+](C)C1(CNc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])CCCCC1 ZINC000497516568 516324976 /nfs/dbraw/zinc/32/49/76/516324976.db2.gz QFLCMEHUUYJVFI-UHFFFAOYSA-N 1 0 355.460 2.675 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)cc1C ZINC000497558469 516326451 /nfs/dbraw/zinc/32/64/51/516326451.db2.gz QKUJXNSXZFCGQP-GJZGRUSLSA-N 1 0 369.487 2.753 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]Cc2ccnc3ccccc23)cc1 ZINC000543619191 516330985 /nfs/dbraw/zinc/33/09/85/516330985.db2.gz FRDBGTSQPJMLOI-UHFFFAOYSA-N 1 0 371.418 2.707 20 5 FFBDRO O=[N+]([O-])c1cc(C[NH2+][C@@]2(CO)CCOC2)ccc1Oc1ccc(F)cc1 ZINC000543620587 516332844 /nfs/dbraw/zinc/33/28/44/516332844.db2.gz CUYXRWCENCOAAA-GOSISDBHSA-N 1 0 362.357 2.767 20 5 FFBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CCC[N@H+](C)C1 ZINC000550653997 516369976 /nfs/dbraw/zinc/36/99/76/516369976.db2.gz YNKRFYFOJHPLQA-NSHDSACASA-N 1 0 370.247 2.832 20 5 FFBDRO COC(=O)c1cc(C)nc(Nc2ccc(CC[NH+](C)C)cc2)c1[N+](=O)[O-] ZINC000517601995 516380340 /nfs/dbraw/zinc/38/03/40/516380340.db2.gz AFXIIKCYDXHDPQ-UHFFFAOYSA-N 1 0 358.398 2.933 20 5 FFBDRO CCCN(CC[NH+]1CCCC1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000554354845 516401429 /nfs/dbraw/zinc/40/14/29/516401429.db2.gz OHLKVPYRDCYWBN-UHFFFAOYSA-N 1 0 350.419 2.943 20 5 FFBDRO Cc1cccc(NCC[NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)n1 ZINC000540220214 516482438 /nfs/dbraw/zinc/48/24/38/516482438.db2.gz LDZQCZUAGSXOBL-AWEZNQCLSA-N 1 0 357.414 2.717 20 5 FFBDRO CS[C@@H]1CN(c2ncnc3cccc([N+](=O)[O-])c32)C[C@@H]1[NH+]1CCCC1 ZINC000547708189 516511138 /nfs/dbraw/zinc/51/11/38/516511138.db2.gz UEEWSCWWWBWAJX-LSDHHAIUSA-N 1 0 359.455 2.554 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000540368273 516529232 /nfs/dbraw/zinc/52/92/32/516529232.db2.gz PAXPGDVDRWEWSB-LLVKDONJSA-N 1 0 373.365 2.621 20 5 FFBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N(CC[NH+]1CCCCCC1)C(C)C ZINC000557985883 516536856 /nfs/dbraw/zinc/53/68/56/516536856.db2.gz VDJWGFYSAAHUMV-UHFFFAOYSA-N 1 0 365.478 2.603 20 5 FFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000558024814 516555541 /nfs/dbraw/zinc/55/55/41/516555541.db2.gz HGBIIFBWBIBQFB-IJEWVQPXSA-N 1 0 361.442 2.796 20 5 FFBDRO CC[NH+](CC)CCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])cn2)cc1 ZINC000531624111 516560344 /nfs/dbraw/zinc/56/03/44/516560344.db2.gz BKUFOJQQTYAFBW-UHFFFAOYSA-N 1 0 358.398 2.963 20 5 FFBDRO Cn1cnc2cc(C[N@@H+]3CC[C@@H](Nc4ccc([N+](=O)[O-])cn4)C3)ccc21 ZINC000540481849 516575627 /nfs/dbraw/zinc/57/56/27/516575627.db2.gz NYJVTFHKTGSXOB-CQSZACIVSA-N 1 0 352.398 2.563 20 5 FFBDRO C[C@@H]1CCC[C@](CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)([NH+](C)C)C1 ZINC000524311898 516691918 /nfs/dbraw/zinc/69/19/18/516691918.db2.gz OAZFYYOVRSEPLX-XIKOKIGWSA-N 1 0 363.414 2.564 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H](C2CCCCC2)[NH+](C)C)n1 ZINC000518584815 516713382 /nfs/dbraw/zinc/71/33/82/516713382.db2.gz RRHCRHBGAXVKCV-OAHLLOKOSA-N 1 0 350.419 2.699 20 5 FFBDRO CCc1ccc([C@@H](NC[C@H](O)C[NH+]2CCCC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000544361026 516721869 /nfs/dbraw/zinc/72/18/69/516721869.db2.gz PBWQYBWJJPXFTI-PXNSSMCTSA-N 1 0 373.453 2.886 20 5 FFBDRO C[NH+](C)Cc1cc(CNc2ncnc3cccc([N+](=O)[O-])c32)ccc1F ZINC000544393638 516739921 /nfs/dbraw/zinc/73/99/21/516739921.db2.gz DORKQZYQKLORNC-UHFFFAOYSA-N 1 0 355.373 2.773 20 5 FFBDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C[C@@H](C)C1 ZINC000561760649 516753957 /nfs/dbraw/zinc/75/39/57/516753957.db2.gz IGDWIAYLRLJGFQ-DCGLDWPTSA-N 1 0 356.426 2.878 20 5 FFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1F)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000558459441 516754010 /nfs/dbraw/zinc/75/40/10/516754010.db2.gz HNIUPDCPNMQUPP-UHFFFAOYSA-N 1 0 373.388 2.915 20 5 FFBDRO CCOC(=O)CC(C)(C)CC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000561866911 516807037 /nfs/dbraw/zinc/80/70/37/516807037.db2.gz KMZODQGQGFKZKG-AWEZNQCLSA-N 1 0 364.446 2.846 20 5 FFBDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000540998260 516819886 /nfs/dbraw/zinc/81/98/86/516819886.db2.gz NOEIWEXTIFKZRN-RYUDHWBXSA-N 1 0 357.357 2.799 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000525024174 516898935 /nfs/dbraw/zinc/89/89/35/516898935.db2.gz PEYWHOFOWPWRPG-OBJOEFQTSA-N 1 0 369.849 2.814 20 5 FFBDRO CN(C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000514225988 516911450 /nfs/dbraw/zinc/91/14/50/516911450.db2.gz FYDRUIHQMZTTBT-LBPRGKRZSA-N 1 0 355.341 2.505 20 5 FFBDRO Cc1ccc(C(C)(C)[NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)cn1 ZINC000544759320 516913295 /nfs/dbraw/zinc/91/32/95/516913295.db2.gz WSEIHILNTXBMOD-UHFFFAOYSA-N 1 0 354.410 2.712 20 5 FFBDRO CCc1ccc([C@H](CNC(=O)c2[nH]ncc2[N+](=O)[O-])[NH+](CC)CC)cc1 ZINC000562187187 516949441 /nfs/dbraw/zinc/94/94/41/516949441.db2.gz WRFUSKFLHHSWOR-HNNXBMFYSA-N 1 0 359.430 2.693 20 5 FFBDRO CC[C@H](C[C@@H](C)CC)[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000536857112 516956991 /nfs/dbraw/zinc/95/69/91/516956991.db2.gz IQOGZZDQLQGLLP-UONOGXRCSA-N 1 0 357.476 2.678 20 5 FFBDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1c(F)cccc1F ZINC000541324197 516991345 /nfs/dbraw/zinc/99/13/45/516991345.db2.gz SZDDKJLEGQXGMO-VXGBXAGGSA-N 1 0 352.337 2.964 20 5 FFBDRO COc1ccc(-c2ccc(C[NH2+]CCCn3ccnn3)o2)c([N+](=O)[O-])c1 ZINC000541372268 517015422 /nfs/dbraw/zinc/01/54/22/517015422.db2.gz UDMBCWSBVAVHOP-UHFFFAOYSA-N 1 0 357.370 2.635 20 5 FFBDRO COc1ccc(CC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1[N+](=O)[O-] ZINC000532991010 517241722 /nfs/dbraw/zinc/24/17/22/517241722.db2.gz CVSQWZHDWXAWST-NVXWUHKLSA-N 1 0 373.453 2.621 20 5 FFBDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000533048145 517267603 /nfs/dbraw/zinc/26/76/03/517267603.db2.gz JSNRHVVWLGOUAT-CYBMUJFWSA-N 1 0 363.414 2.564 20 5 FFBDRO Cc1ccc([C@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)[NH+](C)C)cc1 ZINC000520064840 517269612 /nfs/dbraw/zinc/26/96/12/517269612.db2.gz JISBSIFWEKWLLD-INIZCTEOSA-N 1 0 360.389 2.657 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])c(NCc2ccc(CN3CC[NH+](C)CC3)cc2)n1 ZINC000541931973 517298107 /nfs/dbraw/zinc/29/81/07/517298107.db2.gz GOPBSRHHPQKOJS-UHFFFAOYSA-N 1 0 369.469 2.966 20 5 FFBDRO C[C@@H]1C[C@@H](CCNC(=O)c2cc([N+](=O)[O-])cn2C)C[N@@H+]1Cc1ccccc1 ZINC000533114545 517303353 /nfs/dbraw/zinc/30/33/53/517303353.db2.gz YBEQVECVFSDZRX-NVXWUHKLSA-N 1 0 370.453 2.964 20 5 FFBDRO CCCc1n[nH]c(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000520303995 517337878 /nfs/dbraw/zinc/33/78/78/517337878.db2.gz RTWYVGSWVBHTPV-HNNXBMFYSA-N 1 0 359.430 2.612 20 5 FFBDRO C[C@@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)[C@@H](c1ccccc1)[NH+](C)C ZINC000546024244 517496917 /nfs/dbraw/zinc/49/69/17/517496917.db2.gz MWFNMQPKDAVYRI-XIKOKIGWSA-N 1 0 371.393 2.745 20 5 FFBDRO COc1ccc(CSCC(=O)N2CCCC[C@@H]2CC[NH3+])cc1[N+](=O)[O-] ZINC000562979413 517551967 /nfs/dbraw/zinc/55/19/67/517551967.db2.gz UFBZXMYIRIENKB-CQSZACIVSA-N 1 0 367.471 2.567 20 5 FFBDRO CC[NH+]1CCN(CCNc2cc(C)c(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000549466944 517578797 /nfs/dbraw/zinc/57/87/97/517578797.db2.gz MIVGSKLYKFGJDH-UHFFFAOYSA-N 1 0 360.380 2.971 20 5 FFBDRO C[C@]1(Cc2cccc(F)c2)CCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000563069211 517631981 /nfs/dbraw/zinc/63/19/81/517631981.db2.gz SDAMWJBTHGWBAT-LJQANCHMSA-N 1 0 359.401 2.993 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CCCn2ccc3ccccc32)c1 ZINC000549696762 517663128 /nfs/dbraw/zinc/66/31/28/517663128.db2.gz RONFZAHTXDWOGT-SFHVURJKSA-N 1 0 369.421 2.969 20 5 FFBDRO CC[N@H+](C)Cc1cccc(CNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000516332426 517664887 /nfs/dbraw/zinc/66/48/87/517664887.db2.gz BPHBUWHYWZOYLU-UHFFFAOYSA-N 1 0 357.410 2.985 20 5 FFBDRO Cc1ccc(C[C@H](CO)[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])cc1C ZINC000563139237 517687032 /nfs/dbraw/zinc/68/70/32/517687032.db2.gz XAJCWJGPEITRAT-QGZVFWFLSA-N 1 0 371.437 2.733 20 5 FFBDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000542711830 517698609 /nfs/dbraw/zinc/69/86/09/517698609.db2.gz DFPVOJQTCAMCDB-AWEZNQCLSA-N 1 0 368.409 2.699 20 5 FFBDRO C[C@@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)C1=CC[N@H+](C)CC1 ZINC000542826125 517769370 /nfs/dbraw/zinc/76/93/70/517769370.db2.gz JFIBVLBNKYBZRJ-OAHLLOKOSA-N 1 0 372.469 2.578 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CC3CCC2(C[NH3+])CC3)cc1SC ZINC000563335838 517829888 /nfs/dbraw/zinc/82/98/88/517829888.db2.gz ATGRZGWHUAHWFQ-UHFFFAOYSA-N 1 0 365.455 2.669 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H](Cc2ccccc2)[NH+](C)C)c1 ZINC000542948518 517832561 /nfs/dbraw/zinc/83/25/61/517832561.db2.gz ZWHZMQNGVPFBQU-INIZCTEOSA-N 1 0 357.410 2.966 20 5 FFBDRO C[C@@H](NC(=O)N(C)CCc1ccccc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000553657450 517836951 /nfs/dbraw/zinc/83/69/51/517836951.db2.gz FQZXJZBKUNCZNF-CQSZACIVSA-N 1 0 350.463 2.755 20 5 FFBDRO Cn1ccnc1[C@H](NC[C@H](O)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000560528915 517875089 /nfs/dbraw/zinc/87/50/89/517875089.db2.gz RUUHXWRGGFUDKH-ZWKOTPCHSA-N 1 0 358.442 2.949 20 5 FFBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@@H](C)C1 ZINC000553783336 517901124 /nfs/dbraw/zinc/90/11/24/517901124.db2.gz OZMWPIGUTHHVIB-CKFHNAJUSA-N 1 0 370.453 2.807 20 5 FFBDRO CCC[C@@H](C)[C@@H](CC)[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000539073134 517902266 /nfs/dbraw/zinc/90/22/66/517902266.db2.gz NYFNKUXDBFHWFA-ZIAGYGMSSA-N 1 0 357.476 2.678 20 5 FFBDRO Cc1ccccc1C1(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000516965298 517948261 /nfs/dbraw/zinc/94/82/61/517948261.db2.gz OZDOPPUSUJJZTK-MRXNPFEDSA-N 1 0 356.422 2.964 20 5 FFBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000522180999 518021513 /nfs/dbraw/zinc/02/15/13/518021513.db2.gz BMYXTGMVZVJGMN-SFHVURJKSA-N 1 0 368.437 2.561 20 5 FFBDRO C[C@H]1CN(CC[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCO1 ZINC000522212739 518036755 /nfs/dbraw/zinc/03/67/55/518036755.db2.gz SHAWJWRSXAUOOD-ZDUSSCGKSA-N 1 0 362.455 2.529 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N(C)CCC[NH+](C)C)cc2[N+](=O)[O-])C1 ZINC000539417689 518037697 /nfs/dbraw/zinc/03/76/97/518037697.db2.gz SEECDOMCJQITAV-OAHLLOKOSA-N 1 0 362.474 2.855 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC000539502771 518080687 /nfs/dbraw/zinc/08/06/87/518080687.db2.gz VYMOUFKAFWQTIQ-JKSUJKDBSA-N 1 0 363.458 2.909 20 5 FFBDRO C[C@@H]1C[C@@H]1N1C[C@@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1=O ZINC000539515090 518085916 /nfs/dbraw/zinc/08/59/16/518085916.db2.gz GHHIVNKGBZVCBW-IFIJOSMWSA-N 1 0 355.394 2.954 20 5 FFBDRO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2cncc(Br)c2)cc1 ZINC000547341579 518089048 /nfs/dbraw/zinc/08/90/48/518089048.db2.gz VKAPURBLJKNCPQ-UHFFFAOYSA-N 1 0 352.188 2.921 20 5 FFBDRO O=[N+]([O-])c1ccc2ccnc(N3CCC[C@H]([NH+]4CCOCC4)CC3)c2c1 ZINC000517247740 518089815 /nfs/dbraw/zinc/08/98/15/518089815.db2.gz RUORCZZVKADDRI-INIZCTEOSA-N 1 0 356.426 2.834 20 5 FFBDRO COc1ccc(OCC[N@@H+]2CC[C@H](C(C)(C)C)[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000543476704 518111344 /nfs/dbraw/zinc/11/13/44/518111344.db2.gz TZXHBOVOQKCFPL-GOEBONIOSA-N 1 0 352.431 2.711 20 5 FFBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000531151899 518155807 /nfs/dbraw/zinc/15/58/07/518155807.db2.gz OUHORCQSORYGAX-HNNXBMFYSA-N 1 0 361.442 2.744 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CCc2cc3ccccc3o2)c1 ZINC000563881691 518213144 /nfs/dbraw/zinc/21/31/44/518213144.db2.gz NBQNFCQARJXRAM-MRXNPFEDSA-N 1 0 356.378 2.913 20 5 FFBDRO CN1CCO[C@H]2CC[N@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)C[C@H]21 ZINC000581479437 518305788 /nfs/dbraw/zinc/30/57/88/518305788.db2.gz ADLHUQMYTHZCRW-MJGOQNOKSA-N 1 0 357.410 2.760 20 5 FFBDRO [NH3+]C[C@H]1CC[C@H](CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000572840528 518386819 /nfs/dbraw/zinc/38/68/19/518386819.db2.gz CQLRKSZHWDHIEI-XYPYZODXSA-N 1 0 370.247 2.852 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2CC[C@H]3CCC[C@@H]3C2)cc1 ZINC000572870143 518399631 /nfs/dbraw/zinc/39/96/31/518399631.db2.gz DDBDRCMXQDIIGS-RBSFLKMASA-N 1 0 352.456 2.927 20 5 FFBDRO CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000581685636 518406971 /nfs/dbraw/zinc/40/69/71/518406971.db2.gz VTZBJBSJEPUYPR-ZDUSSCGKSA-N 1 0 365.430 2.558 20 5 FFBDRO COC(=O)c1cnc(NC[C@@H](c2ccsc2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000564461407 518462189 /nfs/dbraw/zinc/46/21/89/518462189.db2.gz KDRLYNKXSYEGFC-ZDUSSCGKSA-N 1 0 350.400 2.553 20 5 FFBDRO CN(CCc1cccc([N+](=O)[O-])c1)CC(=O)NCCc1ccc(F)cc1 ZINC000581872268 518479409 /nfs/dbraw/zinc/47/94/09/518479409.db2.gz KLLGAMCKHMJVKG-UHFFFAOYSA-N 1 0 359.401 2.567 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]Cc1ccnc(C(F)(F)F)c1 ZINC000570202525 518492538 /nfs/dbraw/zinc/49/25/38/518492538.db2.gz MRUBAQFTSSWGPL-GFCCVEGCSA-N 1 0 371.315 2.538 20 5 FFBDRO O=C(NC1CC[NH+](C2CCC2)CC1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000584822693 518493812 /nfs/dbraw/zinc/49/38/12/518493812.db2.gz MEGGOZFFZDBZLI-UHFFFAOYSA-N 1 0 358.442 2.679 20 5 FFBDRO Cc1ccc([C@H](C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])N(C)C)cc1 ZINC000579111162 518527558 /nfs/dbraw/zinc/52/75/58/518527558.db2.gz VGLGRIOTDIYSBP-HKUYNNGSSA-N 1 0 373.453 2.535 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000579112006 518528605 /nfs/dbraw/zinc/52/86/05/518528605.db2.gz YLCSIUJRKFBFSI-SJCJKPOMSA-N 1 0 367.833 2.618 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2nnc(N3CC[N@@H+]4CCCC[C@H]4C3)n2C2CC2)cc1 ZINC000576354132 518553401 /nfs/dbraw/zinc/55/34/01/518553401.db2.gz OLLQJLFQBCSPCD-KRWDZBQOSA-N 1 0 368.441 2.863 20 5 FFBDRO O=C(CC[N@@H+]1CCc2ccccc2C1)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000573222528 518564014 /nfs/dbraw/zinc/56/40/14/518564014.db2.gz NEDROTKWDVMQSU-UHFFFAOYSA-N 1 0 369.421 2.538 20 5 FFBDRO O=[N+]([O-])c1ccccc1OCC[N@H+](Cc1ccccc1)[C@]1(CO)CCOC1 ZINC000585718506 518573796 /nfs/dbraw/zinc/57/37/96/518573796.db2.gz JEEGKIGWMUKVNG-FQEVSTJZSA-N 1 0 372.421 2.627 20 5 FFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCc2ccc3c[nH]nc3c2)n1 ZINC000585765420 518589579 /nfs/dbraw/zinc/58/95/79/518589579.db2.gz BRHHNNBAWBSKIS-RDJZCZTQSA-N 1 0 354.414 2.984 20 5 FFBDRO CC[NH+]1CCC(CN[C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000579268673 518600316 /nfs/dbraw/zinc/60/03/16/518600316.db2.gz ORIRLLWUAWWSPI-GOSISDBHSA-N 1 0 357.458 2.739 20 5 FFBDRO COc1ccc(C[NH2+]C[C@@H](O)COc2cccc3[nH]ccc32)cc1[N+](=O)[O-] ZINC000567661755 518638577 /nfs/dbraw/zinc/63/85/77/518638577.db2.gz DBKYYPHBALNKMD-CQSZACIVSA-N 1 0 371.393 2.614 20 5 FFBDRO CC1(C)CC[C@@H](C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c2ccccc21 ZINC000564848679 518649910 /nfs/dbraw/zinc/64/99/10/518649910.db2.gz FJBHXENBFAXRPK-HOCLYGCPSA-N 1 0 358.442 2.597 20 5 FFBDRO COc1cccc([C@@H]2C[C@H]2C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000564857090 518656656 /nfs/dbraw/zinc/65/66/56/518656656.db2.gz IRWMPAUCOOGRQI-VPWXQRGCSA-N 1 0 372.421 2.736 20 5 FFBDRO Cc1[nH+]c2cc(NC[C@H](O)COc3cccc([N+](=O)[O-])c3)ccc2n1C ZINC000573558456 518725413 /nfs/dbraw/zinc/72/54/13/518725413.db2.gz UYQKXZKCKMQMGZ-HNNXBMFYSA-N 1 0 356.382 2.642 20 5 FFBDRO C[C@@H]1Oc2cc(F)ccc2[C@@H]1[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000577099463 518914330 /nfs/dbraw/zinc/91/43/30/518914330.db2.gz AFDRWEHWZNQOJR-KQYVJACZSA-N 1 0 362.357 2.585 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H](c1ccccc1)[C@@H]1CCCO1 ZINC000582840730 518947880 /nfs/dbraw/zinc/94/78/80/518947880.db2.gz IXXBSVNZDHXMMF-LSTHTHJFSA-N 1 0 372.421 2.844 20 5 FFBDRO CCOc1cccc([C@@H]2C[C@H]2[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000565475718 518974513 /nfs/dbraw/zinc/97/45/13/518974513.db2.gz CYLTYBZRVNKMIR-LSTHTHJFSA-N 1 0 372.421 2.879 20 5 FFBDRO COC[C@]1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)OCCc2ccccc21 ZINC000589319704 518979309 /nfs/dbraw/zinc/97/93/09/518979309.db2.gz OHPWOTGMXVWXEH-IBGZPJMESA-N 1 0 360.385 2.938 20 5 FFBDRO C[C@H](C(=O)NCCc1cccs1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000574139341 519006636 /nfs/dbraw/zinc/00/66/36/519006636.db2.gz DIUXRWQBQUSLPP-CQSZACIVSA-N 1 0 361.467 2.878 20 5 FFBDRO CCC[NH+]1CCC(CNc2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000589569034 519032329 /nfs/dbraw/zinc/03/23/29/519032329.db2.gz XFVNWXYBPPNAMW-UHFFFAOYSA-N 1 0 357.252 2.708 20 5 FFBDRO NC(=O)c1ccnc(N[C@H](C[NH+]2CCCCC2)c2ccccc2)c1[N+](=O)[O-] ZINC000589578275 519033480 /nfs/dbraw/zinc/03/34/80/519033480.db2.gz TVTGAERMIPMLMR-MRXNPFEDSA-N 1 0 369.425 2.728 20 5 FFBDRO COc1c(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])oc2ccccc21 ZINC000580315501 519114431 /nfs/dbraw/zinc/11/44/31/519114431.db2.gz BVZKFEKLBACSPQ-ZDUSSCGKSA-N 1 0 372.377 2.879 20 5 FFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000565778046 519127489 /nfs/dbraw/zinc/12/74/89/519127489.db2.gz NRWMANNDXLCVAH-RHSMWYFYSA-N 1 0 368.437 2.817 20 5 FFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000574414791 519146330 /nfs/dbraw/zinc/14/63/30/519146330.db2.gz OVLQTSHSJXCXSJ-DFQSSKMNSA-N 1 0 359.470 2.940 20 5 FFBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000577636211 519181245 /nfs/dbraw/zinc/18/12/45/519181245.db2.gz MDBUTJBTVVFQIF-XGUBFFRZSA-N 1 0 362.474 2.933 20 5 FFBDRO O=c1[nH]c(NCCCCC[NH+]2CCCCC2)nc2ccc([N+](=O)[O-])cc21 ZINC000580589472 519253856 /nfs/dbraw/zinc/25/38/56/519253856.db2.gz DYGCAWRNLQGUMI-UHFFFAOYSA-N 1 0 359.430 2.734 20 5 FFBDRO C[NH+]1CCC2(CCN(C(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)C2)CC1 ZINC000590548269 519260348 /nfs/dbraw/zinc/26/03/48/519260348.db2.gz WUUDOFIPZWVDNF-UHFFFAOYSA-N 1 0 356.426 2.563 20 5 FFBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000590566097 519266822 /nfs/dbraw/zinc/26/68/22/519266822.db2.gz CDJBPKBCBCQMHG-JQWIXIFHSA-N 1 0 357.863 2.891 20 5 FFBDRO CCCC[NH+]1CCC(NS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)CC1 ZINC000590591414 519277743 /nfs/dbraw/zinc/27/77/43/519277743.db2.gz MXECHYDNWNRSHO-UHFFFAOYSA-N 1 0 373.450 2.585 20 5 FFBDRO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000574689684 519282678 /nfs/dbraw/zinc/28/26/78/519282678.db2.gz VWALYUQKQUBUFC-IRXDYDNUSA-N 1 0 372.469 2.657 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2COc3ccc(Cl)cc32)c1 ZINC000577842255 519283665 /nfs/dbraw/zinc/28/36/65/519283665.db2.gz OXXFZVBJHQEZRV-CZUORRHYSA-N 1 0 364.785 2.711 20 5 FFBDRO O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000566103112 519302332 /nfs/dbraw/zinc/30/23/32/519302332.db2.gz UNWAHDHHPBEYQI-QFBILLFUSA-N 1 0 371.412 2.786 20 5 FFBDRO CC1=CC[N@H+](CCN[C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000568990079 519320875 /nfs/dbraw/zinc/32/08/75/519320875.db2.gz CSIQIFVBLAHYHR-SFHVURJKSA-N 1 0 355.442 2.659 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]C[C@H](O)COc1ccccc1 ZINC000566130407 519321031 /nfs/dbraw/zinc/32/10/31/519321031.db2.gz JRHBWJJCQFALEF-HNNXBMFYSA-N 1 0 350.802 2.820 20 5 FFBDRO O=[N+]([O-])c1cc2c(nc1NCC1([NH+]3CCCC3)CCOCC1)CCCC2 ZINC000566150597 519335448 /nfs/dbraw/zinc/33/54/48/519335448.db2.gz XKOWDVSDGBLKBC-UHFFFAOYSA-N 1 0 360.458 2.926 20 5 FFBDRO C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C[N@@H+]1C1CC1 ZINC000583666817 519367047 /nfs/dbraw/zinc/36/70/47/519367047.db2.gz SQXBXSHQHPQYIB-DZGCQCFKSA-N 1 0 358.442 2.868 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N[C@H](CC[NH3+])C(F)F)cc2[N+](=O)[O-])C1 ZINC000566215075 519374214 /nfs/dbraw/zinc/37/42/14/519374214.db2.gz UECXXYAZEAIVKZ-DGCLKSJQSA-N 1 0 370.400 2.543 20 5 FFBDRO CC[NH+]1CCC(CN[C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000580908551 519421487 /nfs/dbraw/zinc/42/14/87/519421487.db2.gz SXNNQGBYRNBHLQ-GOSISDBHSA-N 1 0 357.458 2.739 20 5 FFBDRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C1CC1 ZINC000569229159 519444791 /nfs/dbraw/zinc/44/47/91/519444791.db2.gz AKMXVIKVNSOWFT-SUMWQHHRSA-N 1 0 368.441 2.861 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)c1 ZINC000590971425 519465593 /nfs/dbraw/zinc/46/55/93/519465593.db2.gz QQFMEIHNPFJPGY-FUHWJXTLSA-N 1 0 362.426 2.754 20 5 FFBDRO O=C1CCCN1[C@@H]1CCC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000591054547 519493887 /nfs/dbraw/zinc/49/38/87/519493887.db2.gz CETXEECNLUISDN-MRXNPFEDSA-N 1 0 361.442 2.841 20 5 FFBDRO C[NH+](C)CC1(CNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CCCC1 ZINC000566585270 519563385 /nfs/dbraw/zinc/56/33/85/519563385.db2.gz OMSKZPMAJLCZTH-UHFFFAOYSA-N 1 0 355.385 2.654 20 5 FFBDRO O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000591297620 519579668 /nfs/dbraw/zinc/57/96/68/519579668.db2.gz KMSCETHDJRUEDZ-BXKDBHETSA-N 1 0 358.320 2.829 20 5 FFBDRO COc1c(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)cccc1[N+](=O)[O-] ZINC000581213265 519579694 /nfs/dbraw/zinc/57/96/94/519579694.db2.gz YBGNYAITGNVNLH-WMLDXEAASA-N 1 0 369.421 2.996 20 5 FFBDRO O=[N+]([O-])c1cc(Br)cnc1N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000591444774 519626755 /nfs/dbraw/zinc/62/67/55/519626755.db2.gz TZPJRGDGTOGACK-WDEREUQCSA-N 1 0 355.236 2.578 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H](CCC(=O)OC(C)(C)C)C1 ZINC000602847555 519924445 /nfs/dbraw/zinc/92/44/45/519924445.db2.gz WBKOAXBHGOCMNO-HNNXBMFYSA-N 1 0 366.462 2.934 20 5 FFBDRO CCC(C)(C)[NH+]1CCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000594388835 519934301 /nfs/dbraw/zinc/93/43/01/519934301.db2.gz BQLGYQJDBNMKRA-UHFFFAOYSA-N 1 0 371.441 2.727 20 5 FFBDRO CCC(C)(C)[NH+]1CCN(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000594390462 519935351 /nfs/dbraw/zinc/93/53/51/519935351.db2.gz WUZSTJWORGZMGZ-UHFFFAOYSA-N 1 0 361.442 2.891 20 5 FFBDRO Cc1cc(S(=O)(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c(C)cc1[N+](=O)[O-] ZINC000594483696 519991833 /nfs/dbraw/zinc/99/18/33/519991833.db2.gz NZNCHLLGFQMLII-GJZGRUSLSA-N 1 0 367.471 2.507 20 5 FFBDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)Nc1c(C)cncc1[N+](=O)[O-] ZINC000602956796 519992898 /nfs/dbraw/zinc/99/28/98/519992898.db2.gz KMAGKZTYMDORTG-UHFFFAOYSA-N 1 0 371.441 2.836 20 5 FFBDRO Cc1nn(-c2ccccc2Cl)cc1C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000594497092 520003955 /nfs/dbraw/zinc/00/39/55/520003955.db2.gz BCCLJLFKQOPQCJ-UHFFFAOYSA-N 1 0 360.805 2.729 20 5 FFBDRO O=[N+]([O-])c1cc(C[NH2+]C2CCN([C@@H]3CCOC3)CC2)cc(C(F)(F)F)c1 ZINC000594501404 520004068 /nfs/dbraw/zinc/00/40/68/520004068.db2.gz UTKLGQSAUARXII-OAHLLOKOSA-N 1 0 373.375 2.957 20 5 FFBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]Cc1nc([C@H]2CCCO2)n[nH]1)C1CC1 ZINC000594513911 520009977 /nfs/dbraw/zinc/00/99/77/520009977.db2.gz UUKNJLORFHAFNU-GOEBONIOSA-N 1 0 357.414 2.675 20 5 FFBDRO Cc1c(NC(=O)CC[N@@H+]2CC[C@H](O)[C@@H]3CCCC[C@H]32)cccc1[N+](=O)[O-] ZINC000602997803 520012572 /nfs/dbraw/zinc/01/25/72/520012572.db2.gz RCABYIWXZAOPDW-OLMNPRSZSA-N 1 0 361.442 2.857 20 5 FFBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]C3CCN(C[C@@H]4CCCO4)CC3)c2c1 ZINC000594525117 520015267 /nfs/dbraw/zinc/01/52/67/520015267.db2.gz RZFGFZUUNDWNHV-SFHVURJKSA-N 1 0 372.469 2.852 20 5 FFBDRO COc1nc(C)cc(C)c1C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000591736350 520015880 /nfs/dbraw/zinc/01/58/80/520015880.db2.gz IONJYRUZOAYYMG-UHFFFAOYSA-N 1 0 358.398 2.734 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@H]2CCc3ccccc3C2)c1 ZINC000591741459 520017782 /nfs/dbraw/zinc/01/77/82/520017782.db2.gz MCSBZCQAOSPELV-KXBFYZLASA-N 1 0 356.422 2.729 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CCOc1ccccc1Cl ZINC000591756967 520024125 /nfs/dbraw/zinc/02/41/25/520024125.db2.gz JXRCAQGDPLRVHL-ZDUSSCGKSA-N 1 0 366.801 2.657 20 5 FFBDRO C[NH+](C)[C@@H]1CCc2cc(NC[C@@H](O)COc3ccccc3[N+](=O)[O-])ccc21 ZINC000591777679 520035099 /nfs/dbraw/zinc/03/50/99/520035099.db2.gz AIZUELRBTABORO-SJLPKXTDSA-N 1 0 371.437 2.996 20 5 FFBDRO O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CC[NH2+]C2(CCCCC2)C1 ZINC000594629017 520061414 /nfs/dbraw/zinc/06/14/14/520061414.db2.gz VYNAYKZQEDKLKD-UHFFFAOYSA-N 1 0 369.425 2.529 20 5 FFBDRO O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CCCN(c2cc[nH+]cc2)CC1 ZINC000603084589 520069692 /nfs/dbraw/zinc/06/96/92/520069692.db2.gz UMFCOTFCTYODTP-RBUKOAKNSA-N 1 0 366.421 2.832 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)c1C ZINC000594792505 520160338 /nfs/dbraw/zinc/16/03/38/520160338.db2.gz RWJVWMOIJIJXCJ-AWEZNQCLSA-N 1 0 369.487 2.610 20 5 FFBDRO C[C@H](c1ccccc1[N+](=O)[O-])n1cc(C[C@@H]([NH3+])Cc2ccccc2)nn1 ZINC000603214337 520161749 /nfs/dbraw/zinc/16/17/49/520161749.db2.gz HXSPOTMRMSLPAR-ZBFHGGJFSA-N 1 0 351.410 2.908 20 5 FFBDRO CC[NH+](CC)CCN(CCOC)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000609188514 520225157 /nfs/dbraw/zinc/22/51/57/520225157.db2.gz DQNZGMZJPAAHMJ-UHFFFAOYSA-N 1 0 362.430 2.507 20 5 FFBDRO COc1ccccc1CC[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000609194743 520226370 /nfs/dbraw/zinc/22/63/70/520226370.db2.gz HQKTVUSXASZKOL-QGZVFWFLSA-N 1 0 360.410 2.518 20 5 FFBDRO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)[C@@H]1SC ZINC000592174374 520245438 /nfs/dbraw/zinc/24/54/38/520245438.db2.gz RLNYHNINWWILBL-CUBALJKWSA-N 1 0 367.471 2.729 20 5 FFBDRO C[C@@H]1COCC[N@@H+]1C1CCN(c2nc3c(cc2[N+](=O)[O-])CCCC3)CC1 ZINC000603402187 520249864 /nfs/dbraw/zinc/24/98/64/520249864.db2.gz OFPOSSXGKWNDQZ-CQSZACIVSA-N 1 0 360.458 2.558 20 5 FFBDRO O=[N+]([O-])c1cccc2ncnc(NC3CC[NH+](C4CCOCC4)CC3)c21 ZINC000603409400 520253330 /nfs/dbraw/zinc/25/33/30/520253330.db2.gz WKYLFMVYCZHPFG-UHFFFAOYSA-N 1 0 357.414 2.593 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC(C)(C)C1(O)CCOCC1 ZINC000595044403 520268440 /nfs/dbraw/zinc/26/84/40/520268440.db2.gz MFNPECZOCXNGFK-ZDUSSCGKSA-N 1 0 352.431 2.822 20 5 FFBDRO C[N@H+](CCCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)C1CCCCC1 ZINC000603477915 520277585 /nfs/dbraw/zinc/27/75/85/520277585.db2.gz OZYHJRAOOSTLAJ-UHFFFAOYSA-N 1 0 363.414 2.708 20 5 FFBDRO C[NH+](C)C[C@H](NC(=O)c1c[nH]nc1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000600473154 520281857 /nfs/dbraw/zinc/28/18/57/520281857.db2.gz SBLUNVYKJZNOKP-LBPRGKRZSA-N 1 0 372.212 2.657 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000597859772 520287437 /nfs/dbraw/zinc/28/74/37/520287437.db2.gz HMJLXHMXJNLUJW-ZDUSSCGKSA-N 1 0 358.442 2.855 20 5 FFBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000609348287 520289397 /nfs/dbraw/zinc/28/93/97/520289397.db2.gz SIHKMQPHXBUNGF-GOSISDBHSA-N 1 0 360.458 2.874 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592254567 520292848 /nfs/dbraw/zinc/29/28/48/520292848.db2.gz HDTXCJCBQZSRLU-CABCVRRESA-N 1 0 368.437 2.995 20 5 FFBDRO CCS(=O)(=O)C1(C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000595103490 520296138 /nfs/dbraw/zinc/29/61/38/520296138.db2.gz NXIBWKVJFCCBDK-INIZCTEOSA-N 1 0 352.456 2.919 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCC[C@@H](C)[C@H]2CCC[NH3+])c1 ZINC000595118507 520302797 /nfs/dbraw/zinc/30/27/97/520302797.db2.gz RFDYUKZORWMEDE-UKRRQHHQSA-N 1 0 369.487 2.740 20 5 FFBDRO COc1ccccc1[C@H]([NH3+])CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000592286714 520317769 /nfs/dbraw/zinc/31/77/69/520317769.db2.gz KABCAWGXLXRXKM-QGZVFWFLSA-N 1 0 372.425 2.612 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)cc1SC ZINC000597922668 520324761 /nfs/dbraw/zinc/32/47/61/520324761.db2.gz KKCHHRDRYKNFCQ-NSHDSACASA-N 1 0 367.471 2.928 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000597922615 520324831 /nfs/dbraw/zinc/32/48/31/520324831.db2.gz JJOROEVSNABDLX-GFCCVEGCSA-N 1 0 370.247 2.960 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@](C)(CO)c1ccccc1 ZINC000609483905 520326653 /nfs/dbraw/zinc/32/66/53/520326653.db2.gz PUJNASOXFMSUSK-IBGZPJMESA-N 1 0 357.410 2.729 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C1 ZINC000597926028 520326990 /nfs/dbraw/zinc/32/69/90/520326990.db2.gz ZRILEDGOMYCRJY-CYBMUJFWSA-N 1 0 357.414 2.588 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N3CCC(C)([NH3+])CC3)cc2[N+](=O)[O-])CC1 ZINC000592330783 520339192 /nfs/dbraw/zinc/33/91/92/520339192.db2.gz DVEMEBPQLVLKFD-UHFFFAOYSA-N 1 0 360.458 2.785 20 5 FFBDRO COc1cc(-c2nc([C@@H]3CCC[NH2+]3)no2)c([N+](=O)[O-])cc1OC(F)F ZINC000592357116 520347689 /nfs/dbraw/zinc/34/76/89/520347689.db2.gz PXEVRJMUAFCLMB-QMMMGPOBSA-N 1 0 356.285 2.679 20 5 FFBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCCC[C@@H]2CN2CCOCC2)cc1 ZINC000609541270 520351611 /nfs/dbraw/zinc/35/16/11/520351611.db2.gz YYIGCSGQYJXLCJ-GOSISDBHSA-N 1 0 363.458 2.550 20 5 FFBDRO CCOc1cc(NC(=O)N(C)CC(C)(C)[NH3+])c([N+](=O)[O-])cc1OCC ZINC000595230780 520363097 /nfs/dbraw/zinc/36/30/97/520363097.db2.gz CUUYQOXZLWLSFV-UHFFFAOYSA-N 1 0 354.407 2.593 20 5 FFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@]2(CO)CCCN(Cc3ccccc3)C2)cc1 ZINC000609620442 520383422 /nfs/dbraw/zinc/38/34/22/520383422.db2.gz YXESOCGEVBUHAD-OAQYLSRUSA-N 1 0 369.465 2.754 20 5 FFBDRO CCN(C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)[C@@H]1CC[N@H+](CC)C1 ZINC000598039081 520389145 /nfs/dbraw/zinc/38/91/45/520389145.db2.gz IHSCCKLZEXCTMQ-OAHLLOKOSA-N 1 0 357.414 2.541 20 5 FFBDRO NC(=O)C1(c2ccccc2)CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000609672289 520401802 /nfs/dbraw/zinc/40/18/02/520401802.db2.gz CFDPXYUGTSWYFB-UHFFFAOYSA-N 1 0 353.422 2.656 20 5 FFBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NCCC[N@H+](C)Cc1ccccc1 ZINC000603929558 520407885 /nfs/dbraw/zinc/40/78/85/520407885.db2.gz VRDPDCWSEKZFBI-UHFFFAOYSA-N 1 0 356.426 2.888 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000609710625 520413312 /nfs/dbraw/zinc/41/33/12/520413312.db2.gz CEHYAVKUXUESEZ-MRXNPFEDSA-N 1 0 353.850 2.935 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCCc2cccc(C[NH3+])c21 ZINC000600721713 520422157 /nfs/dbraw/zinc/42/21/57/520422157.db2.gz FHUDRONNHWZGIJ-UHFFFAOYSA-N 1 0 354.410 2.753 20 5 FFBDRO CCC[N@H+](C)CC(C)(C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000595382518 520441486 /nfs/dbraw/zinc/44/14/86/520441486.db2.gz UKUJSVNADCQCMN-UHFFFAOYSA-N 1 0 363.867 2.647 20 5 FFBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000609833821 520449452 /nfs/dbraw/zinc/44/94/52/520449452.db2.gz XIBXZJWNJWYTDU-INIZCTEOSA-N 1 0 360.458 2.799 20 5 FFBDRO O=C(N[C@H]1CC[NH2+]C2(CCC2)C1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000592567589 520458130 /nfs/dbraw/zinc/45/81/30/520458130.db2.gz DHFQVZOGDLSKDM-INIZCTEOSA-N 1 0 372.469 2.602 20 5 FFBDRO C[C@H](c1ccc(-c2cc([N+](=O)[O-])ccc2CCO)cc1)N1CC[NH2+]CC1 ZINC000600791273 520471746 /nfs/dbraw/zinc/47/17/46/520471746.db2.gz FCWAEHSLPDKZAW-OAHLLOKOSA-N 1 0 355.438 2.763 20 5 FFBDRO CNc1ccc(C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000604181815 520472546 /nfs/dbraw/zinc/47/25/46/520472546.db2.gz XCOFAPKAMHXROR-KRWDZBQOSA-N 1 0 360.389 2.808 20 5 FFBDRO C[C@H](c1ccccc1)[C@@H](CO)[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000613389095 520478356 /nfs/dbraw/zinc/47/83/56/520478356.db2.gz DMUCKWUMWLJELN-CXAGYDPISA-N 1 0 368.393 2.899 20 5 FFBDRO C[N@@H+]1CCC[C@H](NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000604197940 520481297 /nfs/dbraw/zinc/48/12/97/520481297.db2.gz CBNJSXDEUUNXQG-LBPRGKRZSA-N 1 0 374.363 2.626 20 5 FFBDRO CCOc1cc(N2CC[NH+](C[C@@H](OC)C3CCC3)CC2)ccc1[N+](=O)[O-] ZINC000595463639 520487784 /nfs/dbraw/zinc/48/77/84/520487784.db2.gz BICADOCOZFUCDD-LJQANCHMSA-N 1 0 363.458 2.931 20 5 FFBDRO CCOc1cc(C[N@@H+]2CCC[C@@H](N3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000595473004 520493136 /nfs/dbraw/zinc/49/31/36/520493136.db2.gz RZUDLFWBRNIKPW-QGZVFWFLSA-N 1 0 363.458 2.680 20 5 FFBDRO COc1ccc(OCC[NH2+][C@@H](C(C)C)[C@H](O)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000595484392 520500524 /nfs/dbraw/zinc/50/05/24/520500524.db2.gz ZYTNCYDLADXBTE-KBPBESRZSA-N 1 0 366.336 2.520 20 5 FFBDRO CC(C)[C@H]([NH2+]CCCOc1ccc([N+](=O)[O-])cc1)[C@H](O)C(F)(F)F ZINC000595485090 520501450 /nfs/dbraw/zinc/50/14/50/520501450.db2.gz RFGXVLOWKXTBPM-KBPBESRZSA-N 1 0 350.337 2.901 20 5 FFBDRO CNC(=O)c1ccc(N2CCC[C@H]([NH+]3[C@H](C)CC[C@H]3C)C2)c([N+](=O)[O-])c1 ZINC000604303627 520511666 /nfs/dbraw/zinc/51/16/66/520511666.db2.gz XCADOIVKZFPPCA-FMKPAKJESA-N 1 0 360.458 2.796 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H](C)C[NH+]2CCC(C)CC2)c1 ZINC000598261527 520525464 /nfs/dbraw/zinc/52/54/64/520525464.db2.gz GIJYRVCLGHNJIV-MRXNPFEDSA-N 1 0 363.458 2.909 20 5 FFBDRO C[C@H]1CCCN(c2ccc(C(=O)N[C@H]3CC[N@@H+](C4CC4)C3)cc2[N+](=O)[O-])C1 ZINC000604506134 520583003 /nfs/dbraw/zinc/58/30/03/520583003.db2.gz GVPSXJRMWYOTOL-HOCLYGCPSA-N 1 0 372.469 2.798 20 5 FFBDRO CCCN(C(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CC[N@H+](C)C1 ZINC000592833217 520607638 /nfs/dbraw/zinc/60/76/38/520607638.db2.gz WRSXGMPYCOWGCC-JSGCOSHPSA-N 1 0 369.849 2.958 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000592879805 520629563 /nfs/dbraw/zinc/62/95/63/520629563.db2.gz DFTIMJICGYZSFI-SJORKVTESA-N 1 0 353.422 2.978 20 5 FFBDRO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000601136290 520653396 /nfs/dbraw/zinc/65/33/96/520653396.db2.gz ZPUMCNUYHVOSLR-NSHDSACASA-N 1 0 361.368 2.515 20 5 FFBDRO COCCOc1cccc(C[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)c1 ZINC000601149632 520662439 /nfs/dbraw/zinc/66/24/39/520662439.db2.gz PCUOSDMWQGNJCG-LJQANCHMSA-N 1 0 360.410 2.617 20 5 FFBDRO O=[N+]([O-])c1ccc2nccc(NCC3CC[NH+](C4CCOCC4)CC3)c2c1 ZINC000601191668 520679528 /nfs/dbraw/zinc/67/95/28/520679528.db2.gz PEPHSOLTYQROFS-UHFFFAOYSA-N 1 0 370.453 2.868 20 5 FFBDRO Cc1c(C(=O)N2CC3(CCCC3)OC[C@@H]2C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000598536787 520687201 /nfs/dbraw/zinc/68/72/01/520687201.db2.gz WVYHJAGBLGSPBW-HNNXBMFYSA-N 1 0 361.442 2.619 20 5 FFBDRO O=C(N1CC[C@@H](C[NH+]2CCCC2)C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601213412 520688871 /nfs/dbraw/zinc/68/88/71/520688871.db2.gz CHPXGKAENLHSIW-INIZCTEOSA-N 1 0 357.454 2.961 20 5 FFBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@](O)(C2CC2)C1 ZINC000595752085 520699061 /nfs/dbraw/zinc/69/90/61/520699061.db2.gz SCEAAYIRRBNOKB-KPZWWZAWSA-N 1 0 358.398 2.943 20 5 FFBDRO COc1cccc([C@]2(C)CC[N@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)c1 ZINC000595766911 520709144 /nfs/dbraw/zinc/70/91/44/520709144.db2.gz MTZSCOZJJDTUFZ-HXUWFJFHSA-N 1 0 369.421 2.866 20 5 FFBDRO Cn1cc(C[C@H]2CCC[C@@H]2[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])cn1 ZINC000595767774 520709393 /nfs/dbraw/zinc/70/93/93/520709393.db2.gz COICXUBCQHESBP-CVEARBPZSA-N 1 0 371.441 2.658 20 5 FFBDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1Cc1cnn(C)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000595769562 520710805 /nfs/dbraw/zinc/71/08/05/520710805.db2.gz KBPLKMHLYVHERH-JCKWVBRZSA-N 1 0 371.441 2.656 20 5 FFBDRO C[C@H]([NH2+][C@@H]1CCC[C@H]1Cc1cnn(C)c1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000595768715 520711114 /nfs/dbraw/zinc/71/11/14/520711114.db2.gz GOZVLGWCLQZWLG-CWRNSKLLSA-N 1 0 371.441 2.656 20 5 FFBDRO C[C@H](CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000593057757 520712742 /nfs/dbraw/zinc/71/27/42/520712742.db2.gz HRNICKPIWVLSHJ-CQSZACIVSA-N 1 0 359.401 2.913 20 5 FFBDRO CC[C@H]1COC(C)(C)C[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000593056398 520713533 /nfs/dbraw/zinc/71/35/33/520713533.db2.gz HXJLVXPYIQZRIE-ZDUSSCGKSA-N 1 0 365.430 2.821 20 5 FFBDRO Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)cn1 ZINC000595773408 520714833 /nfs/dbraw/zinc/71/48/33/520714833.db2.gz WSUMKQBMMGSGTG-MAUKXSAKSA-N 1 0 371.441 2.658 20 5 FFBDRO O=C(Nc1cccc(C[NH+]2CCC(O)CC2)c1)c1c(F)cccc1[N+](=O)[O-] ZINC000601278246 520719371 /nfs/dbraw/zinc/71/93/71/520719371.db2.gz CMHZZNIBSVNPCY-UHFFFAOYSA-N 1 0 373.384 2.943 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000595790883 520727380 /nfs/dbraw/zinc/72/73/80/520727380.db2.gz ZJUCSCFRNMUJNU-JZXOWHBKSA-N 1 0 364.442 2.616 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2noc(CN3CCC([C@H]4CCC[NH2+]C4)CC3)n2)c1 ZINC000595900847 520807120 /nfs/dbraw/zinc/80/71/20/520807120.db2.gz NFRRBLWOTKJFBV-INIZCTEOSA-N 1 0 371.441 2.856 20 5 FFBDRO [NH3+]C[C@@H]1CCc2ccccc2N1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000595903488 520809309 /nfs/dbraw/zinc/80/93/09/520809309.db2.gz VIPGDHCAFUOVFL-HNNXBMFYSA-N 1 0 354.410 2.704 20 5 FFBDRO C[C@@H]1[C@H](C)N(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)[C@@H](C)C[N@@H+]1C ZINC000593188214 520811202 /nfs/dbraw/zinc/81/12/02/520811202.db2.gz YXEYODZNLONPBX-ZNMIVQPWSA-N 1 0 360.458 2.748 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000601497222 520813240 /nfs/dbraw/zinc/81/32/40/520813240.db2.gz QVUQHEJLHHXIBX-UHFFFAOYSA-N 1 0 367.471 2.542 20 5 FFBDRO Cc1cc(C(=O)N2CC[C@@H](OCC[NH+]3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000610733136 520819806 /nfs/dbraw/zinc/81/98/06/520819806.db2.gz HFTBNDFJIDEDLR-QGZVFWFLSA-N 1 0 361.442 2.620 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000610733142 520820021 /nfs/dbraw/zinc/82/00/21/520820021.db2.gz KJPGZQUHSCRVRR-QGZVFWFLSA-N 1 0 361.442 2.620 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000601549757 520836695 /nfs/dbraw/zinc/83/66/95/520836695.db2.gz AVCFNRRVDWKDCW-SCRDCRAPSA-N 1 0 367.833 2.616 20 5 FFBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000601549666 520836822 /nfs/dbraw/zinc/83/68/22/520836822.db2.gz AEYDQPWTRXEGGO-YPMHNXCESA-N 1 0 369.874 2.941 20 5 FFBDRO O=C(c1cc(C2CC[NH2+]CC2)no1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000595956187 520837604 /nfs/dbraw/zinc/83/76/04/520837604.db2.gz HELHWKBRLGYCAN-UHFFFAOYSA-N 1 0 370.409 2.855 20 5 FFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000595962334 520839219 /nfs/dbraw/zinc/83/92/19/520839219.db2.gz PIGVDAPCYKFGSF-HNNXBMFYSA-N 1 0 361.442 2.845 20 5 FFBDRO COc1cc(CNC[C@H]2CCC[N@H+](CC3CC3)C2)c([N+](=O)[O-])cc1OC ZINC000596058390 520885322 /nfs/dbraw/zinc/88/53/22/520885322.db2.gz GPVVDZBDDLLWGF-OAHLLOKOSA-N 1 0 363.458 2.824 20 5 FFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CNc2ccccc2C1 ZINC000593317176 520905152 /nfs/dbraw/zinc/90/51/52/520905152.db2.gz RIOINUZVSDSYSR-CJNGLKHVSA-N 1 0 354.410 2.938 20 5 FFBDRO C[NH+](C)CCCOc1ccc(CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)cc1 ZINC000596111769 520919049 /nfs/dbraw/zinc/91/90/49/520919049.db2.gz DBEMBGNQXFRFJD-UHFFFAOYSA-N 1 0 372.425 2.636 20 5 FFBDRO O=[N+]([O-])c1cc(N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)ccc1C(F)(F)F ZINC000596112273 520920440 /nfs/dbraw/zinc/92/04/40/520920440.db2.gz LUCNIVRMTIHCMX-ZFWWWQNUSA-N 1 0 359.348 2.649 20 5 FFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596140017 520934826 /nfs/dbraw/zinc/93/48/26/520934826.db2.gz AMLQPHFKMMACSR-OAHLLOKOSA-N 1 0 368.437 2.795 20 5 FFBDRO CCC1([NH+](C)C)CCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000601792236 520954913 /nfs/dbraw/zinc/95/49/13/520954913.db2.gz SSFKXBOLVXDZSP-UHFFFAOYSA-N 1 0 371.441 2.727 20 5 FFBDRO CCC1([NH+](C)C)CCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000601791667 520954934 /nfs/dbraw/zinc/95/49/34/520954934.db2.gz ONFJAAOJPBNMLK-UHFFFAOYSA-N 1 0 358.442 2.882 20 5 FFBDRO CC[C@H]1CN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC[N@@H+]1Cc1ccccc1 ZINC000596191952 520962481 /nfs/dbraw/zinc/96/24/81/520962481.db2.gz IRPYGGLLVOOJOJ-INIZCTEOSA-N 1 0 368.437 2.795 20 5 FFBDRO CC1CC[NH+](CCCCNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000593406835 520973039 /nfs/dbraw/zinc/97/30/39/520973039.db2.gz CNLLYFXPFYRAHK-UHFFFAOYSA-N 1 0 351.422 2.905 20 5 FFBDRO COc1ccc(-c2ccc(C[N@@H+]3CC[C@H](n4cncn4)C3)o2)c([N+](=O)[O-])c1 ZINC000614453116 520973523 /nfs/dbraw/zinc/97/35/23/520973523.db2.gz OEUFKMMEXRAVDL-ZDUSSCGKSA-N 1 0 369.381 2.902 20 5 FFBDRO CC[N@@H+]1CCN(Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C[C@@H]1C ZINC000611092342 520981198 /nfs/dbraw/zinc/98/11/98/520981198.db2.gz QNELBSOAYFUYCL-NSHDSACASA-N 1 0 359.373 2.731 20 5 FFBDRO O=[N+]([O-])c1c2ccncc2ccc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC000599026319 520987661 /nfs/dbraw/zinc/98/76/61/520987661.db2.gz UJLCUBLHHIHBPZ-UHFFFAOYSA-N 1 0 356.426 2.692 20 5 FFBDRO CC(C)C[NH2+]C1(CO)CCN(c2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000596254558 520995590 /nfs/dbraw/zinc/99/55/90/520995590.db2.gz PMRTWTMCOWPGPJ-UHFFFAOYSA-N 1 0 358.442 2.720 20 5 FFBDRO O=[N+]([O-])c1cccc(Br)c1NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000596258989 520998107 /nfs/dbraw/zinc/99/81/07/520998107.db2.gz QBXDCBUTVKQQEO-PHIMTYICSA-N 1 0 356.220 2.632 20 5 FFBDRO CC(C)[NH+]1CCN([C@@H]2CCN(c3ccc4cnccc4c3[N+](=O)[O-])C2)CC1 ZINC000599055331 521004142 /nfs/dbraw/zinc/00/41/42/521004142.db2.gz DYNFLVPNTCRDMM-QGZVFWFLSA-N 1 0 369.469 2.748 20 5 FFBDRO Cn1ccnc1[C@@H](NC[C@@H]1CCCC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000599068657 521012951 /nfs/dbraw/zinc/01/29/51/521012951.db2.gz BNBJUDSRHMLNCF-YJBOKZPZSA-N 1 0 357.458 2.739 20 5 FFBDRO O=[N+]([O-])c1c(NCC2CC[NH+](C3CCOCC3)CC2)nc2sccn21 ZINC000596314238 521023463 /nfs/dbraw/zinc/02/34/63/521023463.db2.gz AMMCTRNDGBETDY-UHFFFAOYSA-N 1 0 365.459 2.607 20 5 FFBDRO CC[C@H]([NH2+]C[C@@H]1CN(Cc2ccncc2)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000599088372 521025319 /nfs/dbraw/zinc/02/53/19/521025319.db2.gz QMJZTOHMDLAVSO-UXHICEINSA-N 1 0 370.453 2.932 20 5 FFBDRO CC(C)N1CC[NH+](C2CCN(Cc3csc([N+](=O)[O-])c3)CC2)CC1 ZINC000611181200 521027076 /nfs/dbraw/zinc/02/70/76/521027076.db2.gz TWEJKDQTNVLXQB-UHFFFAOYSA-N 1 0 352.504 2.647 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCc2cccc(C[NH3+])c21 ZINC000599104235 521033493 /nfs/dbraw/zinc/03/34/93/521033493.db2.gz UCRCNIODDVARET-UHFFFAOYSA-N 1 0 361.423 2.503 20 5 FFBDRO O=C(N[C@H](C[NH+]1CCCCC1)c1ccccc1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000618377315 521040945 /nfs/dbraw/zinc/04/09/45/521040945.db2.gz HXLWVJUZBQXAMQ-MRXNPFEDSA-N 1 0 370.409 2.652 20 5 FFBDRO CS(=O)(=O)c1ccc(NC[C@H]2CCN2C2CCCCC2)c([N+](=O)[O-])c1 ZINC000599125888 521042886 /nfs/dbraw/zinc/04/28/86/521042886.db2.gz FBTONDSCWBNFHQ-CQSZACIVSA-N 1 0 367.471 2.817 20 5 FFBDRO C[C@@](O)(C[C@@H](O)C[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C1CC1 ZINC000601966128 521044279 /nfs/dbraw/zinc/04/42/79/521044279.db2.gz PZOBNKWUYGXIKI-HUUCEWRRSA-N 1 0 362.348 2.615 20 5 FFBDRO CC(=O)N1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)CC12CCCCC2 ZINC000611225373 521045024 /nfs/dbraw/zinc/04/50/24/521045024.db2.gz NAXNBPGWFSOBPD-UHFFFAOYSA-N 1 0 361.442 2.841 20 5 FFBDRO CC1(C)C[NH2+]CC[C@@H](NC(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000601972145 521048478 /nfs/dbraw/zinc/04/84/78/521048478.db2.gz DNNAUCFOZNCGBR-SNVBAGLBSA-N 1 0 370.247 2.865 20 5 FFBDRO C[C@@H](CCNc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl)[NH+](C)C ZINC000596431069 521068717 /nfs/dbraw/zinc/06/87/17/521068717.db2.gz MMCCZAFUUSYMFT-NSHDSACASA-N 1 0 365.821 2.546 20 5 FFBDRO C[N@@H+]1CC[C@@H](NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000593559781 521076480 /nfs/dbraw/zinc/07/64/80/521076480.db2.gz NMFMADGXWJCLPV-APWZRJJASA-N 1 0 357.385 2.838 20 5 FFBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCCS(=O)(=O)CC2)cc(C(F)(F)F)c1 ZINC000602017551 521081555 /nfs/dbraw/zinc/08/15/55/521081555.db2.gz PBKPMWFCJYAKBP-GFCCVEGCSA-N 1 0 366.361 2.671 20 5 FFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2Nc2cnn(-c3cc[nH+]cc3)c2)n1 ZINC000618574540 521130747 /nfs/dbraw/zinc/13/07/47/521130747.db2.gz BRIHVAHWKCQJLA-HOTGVXAUSA-N 1 0 353.386 2.968 20 5 FFBDRO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)C2 ZINC000593706333 521167850 /nfs/dbraw/zinc/16/78/50/521167850.db2.gz LEPYDHWBTVFRSS-LPHOPBHVSA-N 1 0 360.458 2.688 20 5 FFBDRO O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000602151124 521173887 /nfs/dbraw/zinc/17/38/87/521173887.db2.gz HBTLGVBZJQZXLE-SFHVURJKSA-N 1 0 356.426 2.752 20 5 FFBDRO O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000602151122 521175135 /nfs/dbraw/zinc/17/51/35/521175135.db2.gz HBTLGVBZJQZXLE-GOSISDBHSA-N 1 0 356.426 2.752 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)c1C ZINC000599464244 521241022 /nfs/dbraw/zinc/24/10/22/521241022.db2.gz KRSUZHRUQGFWQH-HNNXBMFYSA-N 1 0 367.471 2.507 20 5 FFBDRO Cc1c(NC(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)cc(Br)cc1[N+](=O)[O-] ZINC000599605870 521327647 /nfs/dbraw/zinc/32/76/47/521327647.db2.gz GBUUGNSMOWYONF-LDYMZIIASA-N 1 0 371.235 2.928 20 5 FFBDRO CC1(C)[C@H](c2cccc(F)c2)CC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000599629783 521342072 /nfs/dbraw/zinc/34/20/72/521342072.db2.gz MHPFWEWUHGKZAV-IRXDYDNUSA-N 1 0 362.405 2.559 20 5 FFBDRO Cn1cc(CN2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c([N+](=O)[O-])n1 ZINC000602473065 521366004 /nfs/dbraw/zinc/36/60/04/521366004.db2.gz IMGUYQHWTYVNBS-FQEVSTJZSA-N 1 0 369.469 2.816 20 5 FFBDRO CC(C)OC(=O)C[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)C(C)C ZINC000594039805 521366723 /nfs/dbraw/zinc/36/67/23/521366723.db2.gz IVAHIHUKTWONAR-INIZCTEOSA-N 1 0 366.414 2.917 20 5 FFBDRO C[C@H]1C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC2(CCCCC2)O1 ZINC000594057194 521377661 /nfs/dbraw/zinc/37/76/61/521377661.db2.gz ASZAZVITQIHWDQ-HOTGVXAUSA-N 1 0 364.442 2.758 20 5 FFBDRO Cc1ccc([C@H](C[NH2+]CCc2ccc([N+](=O)[O-])cc2)N2CCOCC2)o1 ZINC000602501549 521382315 /nfs/dbraw/zinc/38/23/15/521382315.db2.gz IDEOLHAKAJCRDM-SFHVURJKSA-N 1 0 359.426 2.702 20 5 FFBDRO O=C(Nc1ncc(C2CC[NH2+]CC2)s1)c1c(F)cccc1[N+](=O)[O-] ZINC000602508833 521386081 /nfs/dbraw/zinc/38/60/81/521386081.db2.gz BNINXDHADNJERG-UHFFFAOYSA-N 1 0 350.375 2.910 20 5 FFBDRO CCC1([NH+]2CCOCC2)CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000599670461 521386134 /nfs/dbraw/zinc/38/61/34/521386134.db2.gz WHYXHLUKNLQCPL-UHFFFAOYSA-N 1 0 363.458 2.550 20 5 FFBDRO O=[N+]([O-])c1cc(Br)ccc1CN1CC[NH+](CCCF)CC1 ZINC000599672661 521387364 /nfs/dbraw/zinc/38/73/64/521387364.db2.gz TYLCYSLCUBSHIO-UHFFFAOYSA-N 1 0 360.227 2.835 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@H]3OCCc4ccccc43)CC2)cn1 ZINC000602544819 521403647 /nfs/dbraw/zinc/40/36/47/521403647.db2.gz DDHJJSJEPJOYCF-LJQANCHMSA-N 1 0 368.437 2.862 20 5 FFBDRO Cc1noc(C)c1C[C@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602552266 521407258 /nfs/dbraw/zinc/40/72/58/521407258.db2.gz MNMKTQAYKYKMFF-LBPRGKRZSA-N 1 0 359.430 2.784 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H](CCO)c3ccccc3)CC2)cn1 ZINC000602551350 521407469 /nfs/dbraw/zinc/40/74/69/521407469.db2.gz IPBXQDJMWDOJMO-GOSISDBHSA-N 1 0 356.426 2.672 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000599695239 521407989 /nfs/dbraw/zinc/40/79/89/521407989.db2.gz LSILMWZVIRXQSA-UHFFFAOYSA-N 1 0 362.430 2.622 20 5 FFBDRO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602562534 521411313 /nfs/dbraw/zinc/41/13/13/521411313.db2.gz TYODQSBEHVTJJW-CYBMUJFWSA-N 1 0 372.473 2.530 20 5 FFBDRO C[C@H](CC[S@](C)=O)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602567558 521415325 /nfs/dbraw/zinc/41/53/25/521415325.db2.gz GSLQMLWPUWVEQU-MDTSDYNXSA-N 1 0 355.279 2.666 20 5 FFBDRO C[C@H]1CN(C2CC2)C[C@H]1[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602568320 521415549 /nfs/dbraw/zinc/41/55/49/521415549.db2.gz JPKZCOGVYAIJRH-QPUJVOFHSA-N 1 0 360.277 2.991 20 5 FFBDRO CCc1noc(CC)c1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602573731 521417476 /nfs/dbraw/zinc/41/74/76/521417476.db2.gz MHKMRVHFQPLRRA-UHFFFAOYSA-N 1 0 359.430 2.861 20 5 FFBDRO [NH3+]CCCN(c1cccc(F)c1)C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602606455 521435744 /nfs/dbraw/zinc/43/57/44/521435744.db2.gz DXJWDXNTGSNVLQ-UHFFFAOYSA-N 1 0 373.432 2.953 20 5 FFBDRO C[C@]1(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCO[C@@H]1C1CC1 ZINC000602612047 521437138 /nfs/dbraw/zinc/43/71/38/521437138.db2.gz RADHMUTZPCZJRN-RTBURBONSA-N 1 0 360.458 2.753 20 5 FFBDRO COc1cnccc1[C@@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602626155 521444275 /nfs/dbraw/zinc/44/42/75/521444275.db2.gz JFBVQQIEOZOVMZ-CYBMUJFWSA-N 1 0 357.414 2.713 20 5 FFBDRO CC(C)[C@@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccnn1C ZINC000602630297 521444907 /nfs/dbraw/zinc/44/49/07/521444907.db2.gz MOQJKEXCYQXDMZ-QGZVFWFLSA-N 1 0 372.473 2.722 20 5 FFBDRO O=[N+]([O-])c1sc(C[NH2+]C2(CO)CCSCC2)cc1Br ZINC000602692724 521480278 /nfs/dbraw/zinc/48/02/78/521480278.db2.gz YLAFZCOJPVFALZ-UHFFFAOYSA-N 1 0 367.290 2.767 20 5 FFBDRO CC(C)(C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@]1(O)CCOC1 ZINC000602695102 521483803 /nfs/dbraw/zinc/48/38/03/521483803.db2.gz DOUKYOMIAFDIHT-HNNXBMFYSA-N 1 0 362.348 2.881 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H](C3CC3)C3CCOCC3)CC2)cn1 ZINC000602700457 521485638 /nfs/dbraw/zinc/48/56/38/521485638.db2.gz VCGIKSMIWKLPNU-IBGZPJMESA-N 1 0 360.458 2.753 20 5 FFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000602705868 521487741 /nfs/dbraw/zinc/48/77/41/521487741.db2.gz NLEMFUJEWMVWKA-LLVKDONJSA-N 1 0 355.320 2.727 20 5 FFBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597093488 521499823 /nfs/dbraw/zinc/49/98/23/521499823.db2.gz WNMLMKJSNWUYQB-PWSUYJOCSA-N 1 0 367.837 2.921 20 5 FFBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597095141 521500900 /nfs/dbraw/zinc/50/09/00/521500900.db2.gz YQHAKOICCOSQIW-SNVBAGLBSA-N 1 0 355.826 2.826 20 5 FFBDRO Nc1c(NC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc(Cl)cc1[N+](=O)[O-] ZINC000597095312 521501358 /nfs/dbraw/zinc/50/13/58/521501358.db2.gz RYYYPPMBGFIGFE-LLVKDONJSA-N 1 0 353.810 2.532 20 5 FFBDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597097206 521503069 /nfs/dbraw/zinc/50/30/69/521503069.db2.gz DTNWBHOUPCWYJI-JTQLQIEISA-N 1 0 355.826 2.636 20 5 FFBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]CCc1ccc(F)c(F)c1)OCCO2 ZINC000615727015 521514235 /nfs/dbraw/zinc/51/42/35/521514235.db2.gz IUQRNWRVWXCNKA-UHFFFAOYSA-N 1 0 350.321 2.977 20 5 FFBDRO CC[NH+](CC)Cc1ccc(C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)o1 ZINC000615875787 521566475 /nfs/dbraw/zinc/56/64/75/521566475.db2.gz NAXQNDWYHYQSMJ-UHFFFAOYSA-N 1 0 373.409 2.933 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCc2cn3c(n2)CCCC3)n1 ZINC000616008182 521601517 /nfs/dbraw/zinc/60/15/17/521601517.db2.gz WNOZOCCQKYAXEO-HZPDHXFCSA-N 1 0 358.446 2.640 20 5 FFBDRO CN(CCc1cccc([N+](=O)[O-])c1)C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000619785175 521872361 /nfs/dbraw/zinc/87/23/61/521872361.db2.gz KINPGUSMGVLRKO-FQEVSTJZSA-N 1 0 357.454 2.562 20 5 FFBDRO COc1cc(C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)cc([N+](=O)[O-])c1C ZINC000479075392 561181021 /nfs/dbraw/zinc/18/10/21/561181021.db2.gz DEFGQWUIGMLQPS-UHFFFAOYSA-N 1 0 353.338 2.745 20 5 FFBDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000736267995 598368051 /nfs/dbraw/zinc/36/80/51/598368051.db2.gz VUHPMPIIHYHJMU-GFCCVEGCSA-N 1 0 359.434 2.697 20 5 FFBDRO C[NH+](C)CCc1ccc(Nc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])cc1 ZINC000736771489 598501935 /nfs/dbraw/zinc/50/19/35/598501935.db2.gz NNIFLRJQFXEBHT-UHFFFAOYSA-N 1 0 353.386 2.623 20 5 FFBDRO COc1ccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1-c1nn[nH]n1 ZINC000826201945 607532717 /nfs/dbraw/zinc/53/27/17/607532717.db2.gz IVQOLOCNCDFNED-LLVKDONJSA-N 1 0 354.370 2.634 20 5 FFBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)c1 ZINC000826499564 608527336 /nfs/dbraw/zinc/52/73/36/608527336.db2.gz NNAHRHDZMFWBPD-GOSISDBHSA-N 1 0 364.409 2.985 20 5 FFBDRO CC[N@H+](CCC1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1)CC(C)C ZINC000540205908 673528307 /nfs/dbraw/zinc/52/83/07/673528307.db2.gz VIHITOKWYXZBAY-UHFFFAOYSA-N 1 0 350.467 2.551 20 5 FFBDRO Cc1ncc([N+](=O)[O-])c(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC001164626791 719073922 /nfs/dbraw/zinc/07/39/22/719073922.db2.gz PIORDQWIKYETBD-SJLPKXTDSA-N 1 0 353.426 2.794 20 5 FFBDRO Cc1c(C)c(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)ncc1[N+](=O)[O-] ZINC001164729000 720396079 /nfs/dbraw/zinc/39/60/79/720396079.db2.gz UQTKTTMJIOJYQB-IAGOWNOFSA-N 1 0 353.426 2.855 20 5 FFBDRO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N(C)CC1CC[NH+](C)CC1 ZINC001165040329 721931198 /nfs/dbraw/zinc/93/11/98/721931198.db2.gz ACZOPWOLUVTOGY-UHFFFAOYSA-N 1 0 370.837 2.598 20 5 FFBDRO C[NH+](C)C1CCN(C(=O)c2cccc([N+](=O)[O-])c2Br)CC1 ZINC000159053219 728900054 /nfs/dbraw/zinc/90/00/54/728900054.db2.gz YZQYUHAFZOYXFC-UHFFFAOYSA-N 1 0 356.220 2.524 20 5 FFBDRO O=C(NC1CC[NH+](C2CCOCC2)CC1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000898632084 735391168 /nfs/dbraw/zinc/39/11/68/735391168.db2.gz GQVANDHLNLEGLO-UHFFFAOYSA-N 1 0 367.833 2.621 20 5 FFBDRO CCN1CC[C@H]1CNC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000899223299 735461769 /nfs/dbraw/zinc/46/17/69/735461769.db2.gz DSPWWWGTZUKDEW-ZETCQYMHSA-N 1 0 350.177 2.865 20 5 FFBDRO C[C@@H]1C[NH+](CCCCNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C[C@@H](C)O1 ZINC000119107675 728588001 /nfs/dbraw/zinc/58/80/01/728588001.db2.gz PTEGVJQRUDWOHB-CHWSQXEVSA-N 1 0 369.849 2.867 20 5 FFBDRO CC[C@@](C)(CC(=O)OC)[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000134176462 728728927 /nfs/dbraw/zinc/72/89/27/728728927.db2.gz AYCHPNSIRVJJDO-KRWDZBQOSA-N 1 0 351.403 2.553 20 5 FFBDRO Cc1cc(Cl)c(C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000856429255 730336404 /nfs/dbraw/zinc/33/64/04/730336404.db2.gz FSSAXJJTMKCZBU-ZDUSSCGKSA-N 1 0 369.849 2.739 20 5 FFBDRO COCCC1CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000859401141 730453378 /nfs/dbraw/zinc/45/33/78/730453378.db2.gz RGBGUWACWHZVLB-UHFFFAOYSA-N 1 0 353.394 2.811 20 5 FFBDRO C[C@H]([NH2+][C@@H]1[C@H](C)O[C@H](C)[C@H]1C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000859825705 730466796 /nfs/dbraw/zinc/46/67/96/730466796.db2.gz NLKKVOJYGGJHJE-QSJCVTFJSA-N 1 0 355.822 2.977 20 5 FFBDRO C[C@H](CNC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000865175487 730921404 /nfs/dbraw/zinc/92/14/04/730921404.db2.gz GMKGBKHLDLONJX-LLVKDONJSA-N 1 0 370.247 2.500 20 5 FFBDRO C[NH+]1CCC(NC(=O)CSc2nc3ccc([N+](=O)[O-])cc3s2)CC1 ZINC000865343537 730943938 /nfs/dbraw/zinc/94/39/38/730943938.db2.gz MEUBOKKDOOOMCY-UHFFFAOYSA-N 1 0 366.468 2.507 20 5 FFBDRO C[NH+](C)C1(C)CCC(Nc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CC1 ZINC000866147116 731034767 /nfs/dbraw/zinc/03/47/67/731034767.db2.gz LFMJDKVRCRQJPL-UHFFFAOYSA-N 1 0 355.460 2.673 20 5 FFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1ccccc1S(C)(=O)=O ZINC000866377011 731053210 /nfs/dbraw/zinc/05/32/10/731053210.db2.gz ZPWBFYPQLUFXKH-GFCCVEGCSA-N 1 0 366.414 2.858 20 5 FFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC[S@](=O)CC(F)(F)F ZINC000866385611 731054197 /nfs/dbraw/zinc/05/41/97/731054197.db2.gz OIPWXJTVEVQHKQ-WBNWAKSLSA-N 1 0 356.341 2.566 20 5 FFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC(C)(C)C(=O)N1CCCC1 ZINC000866396978 731054896 /nfs/dbraw/zinc/05/48/96/731054896.db2.gz CDCNFLZWPBTSMM-ZDUSSCGKSA-N 1 0 351.422 2.903 20 5 FFBDRO COc1cc(CN2CCC[C@@H]3[NH2+]CC[C@H]32)c([N+](=O)[O-])cc1OC(F)F ZINC000866720055 731091320 /nfs/dbraw/zinc/09/13/20/731091320.db2.gz BSENOCVPOLAQMT-NWDGAFQWSA-N 1 0 357.357 2.531 20 5 FFBDRO C[C@@]([NH3+])(C(=O)NCCC[C@@H]1CC1(Cl)Cl)c1cccc([N+](=O)[O-])c1 ZINC000867983111 731248644 /nfs/dbraw/zinc/24/86/44/731248644.db2.gz KHZDBGNTBKZPAZ-RISCZKNCSA-N 1 0 360.241 2.859 20 5 FFBDRO CCNC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2SC)C1 ZINC000872047413 731723428 /nfs/dbraw/zinc/72/34/28/731723428.db2.gz BNDKTCBEVRLRPZ-NWDGAFQWSA-N 1 0 352.460 2.771 20 5 FFBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1CN(C2CC2)C(=O)O1 ZINC000872085271 731728251 /nfs/dbraw/zinc/72/82/51/731728251.db2.gz OSVICDHENNEHQJ-GWCFXTLKSA-N 1 0 351.428 2.951 20 5 FFBDRO CC1(C)CC[NH2+]CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000872296106 731749961 /nfs/dbraw/zinc/74/99/61/731749961.db2.gz OPWDURKXDCEPFV-UHFFFAOYSA-N 1 0 374.210 2.711 20 5 FFBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]CC1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000873171538 731884329 /nfs/dbraw/zinc/88/43/29/731884329.db2.gz NIYAQBMFIKLIQC-FTNCPSPGSA-N 1 0 358.847 2.694 20 5 FFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@H]3COC4(CCCCCC4)O3)C2)c1 ZINC000877141283 732328126 /nfs/dbraw/zinc/32/81/26/732328126.db2.gz GNWRLURVUSJORO-XUJLQICISA-N 1 0 350.419 2.550 20 5 FFBDRO C[C@@H](C[C@@H]1CCC(=O)N1)[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000926849047 738661324 /nfs/dbraw/zinc/66/13/24/738661324.db2.gz GKZAGNMDEWWYGI-CABZTGNLSA-N 1 0 356.220 2.504 20 5 FFBDRO CC(C)(C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)CS(C)(=O)=O ZINC000926953870 738672939 /nfs/dbraw/zinc/67/29/39/738672939.db2.gz PLOTXWVFWLDAGC-OAHLLOKOSA-N 1 0 354.472 2.576 20 5 FFBDRO CC1(C)O[C@@H]2C[C@@H]([NH2+][C@@H]3CCCC[C@H]3n3ccc([N+](=O)[O-])n3)C[C@@H]2O1 ZINC000927056601 738686737 /nfs/dbraw/zinc/68/67/37/738686737.db2.gz LCWXHLAHWPLFGW-RYPNDVFKSA-N 1 0 350.419 2.547 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1C ZINC000884433860 733524316 /nfs/dbraw/zinc/52/43/16/733524316.db2.gz ULFFVMVLAJAVAW-RYUDHWBXSA-N 1 0 359.348 2.811 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c1C ZINC000884433861 733524429 /nfs/dbraw/zinc/52/44/29/733524429.db2.gz ULFFVMVLAJAVAW-VXGBXAGGSA-N 1 0 359.348 2.811 20 5 FFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1CC[C@]2(CO[C@@H](C)C2)O1 ZINC000886768763 733829544 /nfs/dbraw/zinc/82/95/44/733829544.db2.gz HTWANDWZAYRHJK-IHHFWDAISA-N 1 0 352.406 2.981 20 5 FFBDRO O=C(CC[N@@H+]1CC[C@@H]([C@H]2CCCO2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000886822466 733843979 /nfs/dbraw/zinc/84/39/79/733843979.db2.gz QRUJSEVMMKLXPF-MLGOLLRUSA-N 1 0 351.378 2.563 20 5 FFBDRO C[N@@H+]1C[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)C[C@]2(C)C1 ZINC000887930824 733994510 /nfs/dbraw/zinc/99/45/10/733994510.db2.gz YFPVYFFXKJTXQU-DOMZBBRYSA-N 1 0 357.332 2.637 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)NCC[N@@H+]2CCC(C)(C)C2)cc1SC ZINC000890076333 734261452 /nfs/dbraw/zinc/26/14/52/734261452.db2.gz SZZFPCPAPMPJPH-UHFFFAOYSA-N 1 0 367.471 2.787 20 5 FFBDRO CN(CC(C)(C)C[NH+](C)C)C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC000890878821 734350088 /nfs/dbraw/zinc/35/00/88/734350088.db2.gz PVOKQDCTQYPVDF-UHFFFAOYSA-N 1 0 360.817 2.629 20 5 FFBDRO COC1CC[NH+](C(C)(C)CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000730788928 734649915 /nfs/dbraw/zinc/64/99/15/734649915.db2.gz DECNSBPRHGYGTD-UHFFFAOYSA-N 1 0 369.849 2.867 20 5 FFBDRO CC(C)[C@H](C[NH+](C)C)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000733167602 734794933 /nfs/dbraw/zinc/79/49/33/734794933.db2.gz WMDMHJLIOSUEFL-YPMHNXCESA-N 1 0 357.838 2.718 20 5 FFBDRO C[N@@H+]1C[C@@]2(C)CN(c3ncc(Br)cc3[N+](=O)[O-])C[C@@]2(C)C1 ZINC000894798480 734919162 /nfs/dbraw/zinc/91/91/62/734919162.db2.gz WWMAJOSFMZTLDT-OKILXGFUSA-N 1 0 355.236 2.530 20 5 FFBDRO CC[C@H](C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1C)[NH+](CC)CC ZINC000741032924 735111783 /nfs/dbraw/zinc/11/17/83/735111783.db2.gz LKHBWSZGPLCLTQ-OAHLLOKOSA-N 1 0 351.403 2.505 20 5 FFBDRO CC[C@@H](C(=O)OCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])[NH+](CC)CC ZINC000741032628 735111887 /nfs/dbraw/zinc/11/18/87/735111887.db2.gz LOULEERQRIEKFC-ZDUSSCGKSA-N 1 0 371.821 2.850 20 5 FFBDRO COc1c(O)ccc(C[NH2+]C[C@H]2CC[C@@H](C(F)(F)F)O2)c1[N+](=O)[O-] ZINC000896280669 735131334 /nfs/dbraw/zinc/13/13/34/735131334.db2.gz QFODOQBWZVIMGF-KOLCDFICSA-N 1 0 350.293 2.509 20 5 FFBDRO C[C@H](C[NH2+]Cc1c(Br)cnn1C)c1ccccc1[N+](=O)[O-] ZINC000897463707 735238058 /nfs/dbraw/zinc/23/80/58/735238058.db2.gz HLDCZPRNWLCKJS-SNVBAGLBSA-N 1 0 353.220 2.984 20 5 FFBDRO COc1cc([C@H](C)[NH2+]CC2(S(C)(=O)=O)CCCC2)cc([N+](=O)[O-])c1 ZINC000903169457 736047086 /nfs/dbraw/zinc/04/70/86/736047086.db2.gz ASXKREOPYDLMOB-LBPRGKRZSA-N 1 0 356.444 2.611 20 5 FFBDRO COc1cc([C@H](C)[NH2+]C[C@@H]2CC[C@]3(CO[C@@H](C)C3)O2)cc([N+](=O)[O-])c1 ZINC000903221761 736058271 /nfs/dbraw/zinc/05/82/71/736058271.db2.gz SRJJOMTTXOQILD-YFPWBOGZSA-N 1 0 350.415 2.981 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC1(O)CCC2(CC1)OCCO2 ZINC000903373847 736084938 /nfs/dbraw/zinc/08/49/38/736084938.db2.gz DVUMIAGULFNTQC-CQSZACIVSA-N 1 0 350.415 2.602 20 5 FFBDRO O=C(NCCC[NH+]1CCCC1)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000755036494 736228210 /nfs/dbraw/zinc/22/82/10/736228210.db2.gz XTUKHEXVZXXDCN-UHFFFAOYSA-N 1 0 371.235 2.965 20 5 FFBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H](O)CC2(O)CCCC2)cc(C(F)(F)F)c1 ZINC000905238346 736316213 /nfs/dbraw/zinc/31/62/13/736316213.db2.gz PLTPDJZMDQKPJR-AWEZNQCLSA-N 1 0 362.348 2.759 20 5 FFBDRO C[C@@H](CNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)C[NH+]1CCCC1 ZINC000756950128 736376215 /nfs/dbraw/zinc/37/62/15/736376215.db2.gz CJEJKPHCFXWWBK-LBPRGKRZSA-N 1 0 354.838 2.779 20 5 FFBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000756950819 736376218 /nfs/dbraw/zinc/37/62/18/736376218.db2.gz DOHOJLHVVNGDDU-NSHDSACASA-N 1 0 352.822 2.532 20 5 FFBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC000906790862 736543925 /nfs/dbraw/zinc/54/39/25/736543925.db2.gz JTAALZSLRNHMLW-WBMJQRKESA-N 1 0 353.850 2.979 20 5 FFBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)C1 ZINC000906845401 736550488 /nfs/dbraw/zinc/55/04/88/736550488.db2.gz MCTVPMNXMNAVEX-NSHDSACASA-N 1 0 354.838 2.634 20 5 FFBDRO CC[N@@H+]1CCC[C@H]1CNC(=S)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000763309455 736926512 /nfs/dbraw/zinc/92/65/12/736926512.db2.gz XOAYBXLNYMUCKQ-KRWDZBQOSA-N 1 0 362.499 2.918 20 5 FFBDRO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])N(C1CC1)C1CC[NH2+]CC1 ZINC000911679286 737223057 /nfs/dbraw/zinc/22/30/57/737223057.db2.gz YCNMORDHHKQZSZ-UHFFFAOYSA-N 1 0 351.834 2.924 20 5 FFBDRO C[C@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000912806109 737342528 /nfs/dbraw/zinc/34/25/28/737342528.db2.gz CWHJWZSGRRGTJP-IAQYHMDHSA-N 1 0 352.410 2.509 20 5 FFBDRO CC(C)c1n[nH]c(C(=O)N2CCCC[C@@H]2[C@@H](C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000912810577 737342805 /nfs/dbraw/zinc/34/28/05/737342805.db2.gz WIUBJKPXKKSNNK-QWHCGFSZSA-N 1 0 351.451 2.634 20 5 FFBDRO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC([NH+]2CCC2)CC1 ZINC000912878439 737352567 /nfs/dbraw/zinc/35/25/67/737352567.db2.gz VZIYVOCHBDVMPI-UHFFFAOYSA-N 1 0 368.231 2.668 20 5 FFBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 ZINC000774639564 738008119 /nfs/dbraw/zinc/00/81/19/738008119.db2.gz LVKWPAHTVXCFTA-MLGOLLRUSA-N 1 0 363.849 2.972 20 5 FFBDRO COc1cc(C[NH2+]CC[C@H]2CC[C@@H](C(F)(F)F)O2)c([N+](=O)[O-])cc1O ZINC000922679361 738183560 /nfs/dbraw/zinc/18/35/60/738183560.db2.gz QGEDTSSBXIVPFD-YGRLFVJLSA-N 1 0 364.320 2.899 20 5 FFBDRO CS[C@@H]1CN(C(=O)c2cc(F)cc(C)c2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000777310870 738277265 /nfs/dbraw/zinc/27/72/65/738277265.db2.gz SVUSMNKJWXMISL-LSDHHAIUSA-N 1 0 367.446 2.694 20 5 FFBDRO C[NH+](C)Cc1ccc(NC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)cc1 ZINC000778228220 738365330 /nfs/dbraw/zinc/36/53/30/738365330.db2.gz HOVFNAGKGAJGKV-UHFFFAOYSA-N 1 0 357.395 2.913 20 5 FFBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)[NH+]1CCCCC1 ZINC000778638032 738400421 /nfs/dbraw/zinc/40/04/21/738400421.db2.gz QAIKYWQBJISQTP-NSHDSACASA-N 1 0 357.357 2.800 20 5 FFBDRO C[C@]1([NH2+]CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCO[C@H]1C1CC1 ZINC000784586959 738905629 /nfs/dbraw/zinc/90/56/29/738905629.db2.gz BSQBXMCJWVXGLZ-HOTGVXAUSA-N 1 0 353.806 2.734 20 5 FFBDRO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000930160742 739067017 /nfs/dbraw/zinc/06/70/17/739067017.db2.gz XWUTVCFAISUQPK-CYBMUJFWSA-N 1 0 368.821 2.623 20 5 FFBDRO O=[N+]([O-])c1ccc(CN2CCC([N@@H+]3CCCOCC3)CC2)c(Cl)c1 ZINC000931287195 739238229 /nfs/dbraw/zinc/23/82/29/739238229.db2.gz VWHBUEOUDYCUKQ-UHFFFAOYSA-N 1 0 353.850 2.935 20 5 FFBDRO CCOC(=O)C1([C@@H](C)[NH2+]Cc2cc(F)ccc2[N+](=O)[O-])CCOCC1 ZINC000933886927 739701286 /nfs/dbraw/zinc/70/12/86/739701286.db2.gz RJRHUBFQKHZPMS-GFCCVEGCSA-N 1 0 354.378 2.572 20 5 FFBDRO O=[N+]([O-])c1ccc(Br)c(C[NH2+][C@H]2CCOC23CCOCC3)c1 ZINC000934399007 739781427 /nfs/dbraw/zinc/78/14/27/739781427.db2.gz FIVFTMFTAGQJGM-AWEZNQCLSA-N 1 0 371.231 2.785 20 5 FFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(CN=[S@@](C)(=O)N(C)C)CC1 ZINC000934749664 739831328 /nfs/dbraw/zinc/83/13/28/739831328.db2.gz HXDXVZVUGOYVGT-DLUDVSRJSA-N 1 0 368.503 2.942 20 5 FFBDRO CCCN(CC[NH+]1CCCCC1)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000796124780 740104543 /nfs/dbraw/zinc/10/45/43/740104543.db2.gz FDKBELMTUYLZDR-UHFFFAOYSA-N 1 0 373.450 2.621 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000800399569 740519315 /nfs/dbraw/zinc/51/93/15/740519315.db2.gz QFCHWWINZMEYGM-HZPDHXFCSA-N 1 0 362.813 2.745 20 5 FFBDRO CC[C@@H](CO)[NH+]1CCN(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000809950408 741365261 /nfs/dbraw/zinc/36/52/61/741365261.db2.gz QKXFATWFQLOBEI-ZDUSSCGKSA-N 1 0 362.257 2.790 20 5 FFBDRO CSC1(CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)CC[NH+](C)CC1 ZINC000810879394 741458103 /nfs/dbraw/zinc/45/81/03/741458103.db2.gz SXNRDHVJGKQCNU-UHFFFAOYSA-N 1 0 357.863 2.805 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])c(N2CC[C@@H](C[NH+]3CCCC3)C2)cc1Cl ZINC000814852577 741869979 /nfs/dbraw/zinc/86/99/79/741869979.db2.gz GETWTNFEVHXYQN-LBPRGKRZSA-N 1 0 367.833 2.957 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H]2CCOC3(CCSCC3)C2)cc1 ZINC000819179390 742348866 /nfs/dbraw/zinc/34/88/66/742348866.db2.gz NMEPBMVDDGKKBL-GOEBONIOSA-N 1 0 352.456 2.663 20 5 FFBDRO C[NH+](C)[C@@H](CNc1ccc(-c2nn[nH]n2)c([N+](=O)[O-])c1)c1cccs1 ZINC000821581009 742643548 /nfs/dbraw/zinc/64/35/48/742643548.db2.gz ATXYIUPHXGQAHU-ZDUSSCGKSA-N 1 0 359.415 2.551 20 5 FFBDRO CCN(C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C)C1 ZINC000822138858 742701794 /nfs/dbraw/zinc/70/17/94/742701794.db2.gz MJZOSJCKYLVOIF-LLVKDONJSA-N 1 0 371.235 2.915 20 5 FFBDRO CC(C)(CCC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)[N+](=O)[O-] ZINC000822883321 742796853 /nfs/dbraw/zinc/79/68/53/742796853.db2.gz AAHKYJDWMQRKKU-CQSZACIVSA-N 1 0 353.488 2.912 20 5 FFBDRO O=C(N[C@H]1CC[C@H]([NH2+]Cc2cccc(Cl)c2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001034643914 742927645 /nfs/dbraw/zinc/92/76/45/742927645.db2.gz UNZSNDOXFRXQPI-KLHDSHLOSA-N 1 0 351.834 2.522 20 5 FFBDRO C[N@@H+]1CC[C@H](CC(=O)N[C@H](c2cccc([N+](=O)[O-])c2F)C(F)(F)F)C1 ZINC000823593504 742942359 /nfs/dbraw/zinc/94/23/59/742942359.db2.gz AJJUJGDKKLMHSZ-YMTOWFKASA-N 1 0 363.311 2.795 20 5 FFBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000824352144 743060936 /nfs/dbraw/zinc/06/09/36/743060936.db2.gz XWGLIMONBUFYOK-SFHVURJKSA-N 1 0 359.813 2.796 20 5 FFBDRO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])N1CCC([NH+]2CCC2)CC1 ZINC000826936818 743473814 /nfs/dbraw/zinc/47/38/14/743473814.db2.gz UGOJYXRXQBBAOB-UHFFFAOYSA-N 1 0 351.834 2.878 20 5 FFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2C[C@@H](N3CCOCC3)C23CCC3)cc1Cl ZINC000827538039 743597176 /nfs/dbraw/zinc/59/71/76/743597176.db2.gz MELDPDGYMMKDPM-IAGOWNOFSA-N 1 0 365.861 2.981 20 5 FFBDRO COC[C@@H]1CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000832745341 745748945 /nfs/dbraw/zinc/74/89/45/745748945.db2.gz JAAQSOJQVGINOZ-CYBMUJFWSA-N 1 0 353.394 2.811 20 5 FFBDRO C[C@H]1CN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CC[N@@H+](C2CC2)C1 ZINC000832949903 745767064 /nfs/dbraw/zinc/76/70/64/745767064.db2.gz QVBZVBBLKUZDRR-GFCCVEGCSA-N 1 0 353.369 2.629 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(C(=O)N2CCN(c3cc[nH+]cc3)CC2)cc1Cl ZINC000836248564 746174133 /nfs/dbraw/zinc/17/41/33/746174133.db2.gz FUAHARFYGMYDKS-UHFFFAOYSA-N 1 0 360.801 2.914 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1Cl ZINC000836271703 746179011 /nfs/dbraw/zinc/17/90/11/746179011.db2.gz NMVHKAMYUIIZHU-CHWSQXEVSA-N 1 0 369.849 2.786 20 5 FFBDRO COc1ccc(CC(=O)OC[C@H]2CCCC[N@@H+]2C(C)C)cc1[N+](=O)[O-] ZINC000837499606 746461394 /nfs/dbraw/zinc/46/13/94/746461394.db2.gz LZQPTOMCUZVTPU-OAHLLOKOSA-N 1 0 350.415 2.952 20 5 FFBDRO CC(C)(C)OC(=O)[C@]1(C)CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000839105063 746775833 /nfs/dbraw/zinc/77/58/33/746775833.db2.gz OEICIYCKWSHDSF-MAUKXSAKSA-N 1 0 350.415 2.682 20 5 FFBDRO O=[N+]([O-])c1cccc(C[NH2+]C2(CO)CCSCC2)c1Br ZINC000839619729 746873965 /nfs/dbraw/zinc/87/39/65/746873965.db2.gz VWLHTQYQSMEAQA-UHFFFAOYSA-N 1 0 361.261 2.705 20 5 FFBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)c2cccc([N+](=O)[O-])c2Br)C1 ZINC000839797000 746923793 /nfs/dbraw/zinc/92/37/93/746923793.db2.gz GBKXCJGNEVWGAM-NSHDSACASA-N 1 0 370.247 2.819 20 5 FFBDRO [NH3+]CC[C@H]1CCCN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000841160753 747283956 /nfs/dbraw/zinc/28/39/56/747283956.db2.gz GBHGXEFURSBKSR-SNVBAGLBSA-N 1 0 371.235 2.950 20 5 FFBDRO C[C@@H]1CN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000841162638 747285301 /nfs/dbraw/zinc/28/53/01/747285301.db2.gz YQNVDRDWNYNGRL-LDYMZIIASA-N 1 0 357.208 2.558 20 5 FFBDRO C[C@H]1CN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000841162637 747285323 /nfs/dbraw/zinc/28/53/23/747285323.db2.gz YQNVDRDWNYNGRL-KWQFWETISA-N 1 0 357.208 2.558 20 5 FFBDRO CC1(NC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000841162593 747285589 /nfs/dbraw/zinc/28/55/89/747285589.db2.gz XCLMYQMBIZUVPT-UHFFFAOYSA-N 1 0 357.208 2.621 20 5 FFBDRO [NH3+]CCCOC1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000841233184 747302520 /nfs/dbraw/zinc/30/25/20/747302520.db2.gz NYKCTZYBFPUGHG-UHFFFAOYSA-N 1 0 356.810 2.610 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCS(=O)(=O)CC1CC1)CCCC2 ZINC000841747823 747448368 /nfs/dbraw/zinc/44/83/68/747448368.db2.gz DYTLYTCBYOXXQD-KRWDZBQOSA-N 1 0 352.456 2.777 20 5 FFBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000841857393 747477252 /nfs/dbraw/zinc/47/72/52/747477252.db2.gz XPIZSYASROBFME-INIZCTEOSA-N 1 0 366.849 2.922 20 5 FFBDRO O=C(CN1CCCC[C@H]1[C@@H]1CCC[NH2+]1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000842473646 747612474 /nfs/dbraw/zinc/61/24/74/747612474.db2.gz SQWBZSHURKDTPJ-GJZGRUSLSA-N 1 0 366.849 2.793 20 5 FFBDRO [NH3+][C@@H]1CCO[C@@H](C2CCN(C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)CC2)C1 ZINC000842510139 747623124 /nfs/dbraw/zinc/62/31/24/747623124.db2.gz PJFLFBGQAARXEB-CZUORRHYSA-N 1 0 367.833 2.607 20 5 FFBDRO [NH3+][C@@H]1CCC[C@@H]2CN(Cc3c(Br)cccc3[N+](=O)[O-])C[C@@H]21 ZINC000843059946 747758394 /nfs/dbraw/zinc/75/83/94/747758394.db2.gz VRLGGQCEAAFMFE-UHIISALHSA-N 1 0 354.248 2.917 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@H](O)c2c(F)cccc2Cl)cc1 ZINC000843084273 747764734 /nfs/dbraw/zinc/76/47/34/747764734.db2.gz OQSIMTXDVVPMKW-GJZGRUSLSA-N 1 0 354.765 2.744 20 5 FFBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000843354343 747816370 /nfs/dbraw/zinc/81/63/70/747816370.db2.gz ZOAWEAGSPWZPHF-TUAOUCFPSA-N 1 0 354.838 2.634 20 5 FFBDRO C[C@H]1CCCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])[C@@H]1CC[NH3+] ZINC000846693170 748524726 /nfs/dbraw/zinc/52/47/26/748524726.db2.gz DFDKERUFIIFZJD-IINYFYTJSA-N 1 0 357.813 2.906 20 5 FFBDRO C[C@H]([NH2+]C[C@H](O)c1cc(F)c(F)c(F)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850581375 749389328 /nfs/dbraw/zinc/38/93/28/749389328.db2.gz VPMJIGNEOTYPMA-AYVTZFPOSA-N 1 0 355.316 2.979 20 5 FFBDRO C[C@@H]1CN(Cc2ccc(C(=O)OCC(C)(C)[N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000851130496 749514624 /nfs/dbraw/zinc/51/46/24/749514624.db2.gz XRKTZBABBVAVAJ-OKILXGFUSA-N 1 0 350.415 2.508 20 5 FFBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000852807241 749958982 /nfs/dbraw/zinc/95/89/82/749958982.db2.gz QOGPHVZFYMUWPS-CYBMUJFWSA-N 1 0 365.739 2.749 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)c1F ZINC000854659555 750347298 /nfs/dbraw/zinc/34/72/98/750347298.db2.gz NVRKPIZGBYEQKZ-QGZVFWFLSA-N 1 0 353.369 2.739 20 5 FFBDRO CNc1nccc(C(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000521595740 821308415 /nfs/dbraw/zinc/30/84/15/821308415.db2.gz DKNQIZFLYDNADE-BETUJISGSA-N 1 0 363.462 2.518 20 5 FFBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000823639849 946459927 /nfs/dbraw/zinc/45/99/27/946459927.db2.gz IXTHXYGQJBMQEL-UHFFFAOYSA-N 1 0 374.788 2.597 20 5 FFBDRO C[C@H](C[N@H+](C)Cc1ccccc1)Nc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000824414164 946699682 /nfs/dbraw/zinc/69/96/82/946699682.db2.gz VXWZSRUILTUQOR-CYBMUJFWSA-N 1 0 367.413 2.707 20 5 FFBDRO COC(=O)c1ncc([N+](=O)[O-])c(C)c1NCCC[N@@H+]1CCCC[C@H]1C ZINC001167751070 971699514 /nfs/dbraw/zinc/69/95/14/971699514.db2.gz FFVYWWHYZOOUPY-GFCCVEGCSA-N 1 0 350.419 2.761 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCN(C)c2ncccc2C1 ZINC000872317890 1013210719 /nfs/dbraw/zinc/21/07/19/1013210719.db2.gz HNRBSVIFMQDWOF-UHFFFAOYSA-N 1 0 369.425 2.579 20 5 FFBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)C1 ZINC001137058890 1013212048 /nfs/dbraw/zinc/21/20/48/1013212048.db2.gz ZEUNELHCEMEVHL-DTWKUNHWSA-N 1 0 358.801 2.572 20 5 FFBDRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000873191637 1013416581 /nfs/dbraw/zinc/41/65/81/1013416581.db2.gz RAVDFINJYGITBI-IBGZPJMESA-N 1 0 360.410 2.695 20 5 FFBDRO C[NH+](C)CCOc1ccccc1CNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000255315962 963914680 /nfs/dbraw/zinc/91/46/80/963914680.db2.gz YMLAJPIMWNXSKE-XFXZXTDPSA-N 1 0 369.421 2.865 20 5 FFBDRO CC(C)(C)OC(=O)NCC1(c2ccccc2)CC[NH+](CC[N+](=O)[O-])CC1 ZINC000933494289 964457241 /nfs/dbraw/zinc/45/72/41/964457241.db2.gz YSPZYPKKKKJQJA-UHFFFAOYSA-N 1 0 363.458 2.822 20 5 FFBDRO COC(=O)C[C@@](C)([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC001175522233 1013497292 /nfs/dbraw/zinc/49/72/92/1013497292.db2.gz FBWQLOBRTOZJNN-MRXNPFEDSA-N 1 0 369.805 2.508 20 5 FFBDRO COC(=O)C[C@](C)([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC001175522231 1013497322 /nfs/dbraw/zinc/49/73/22/1013497322.db2.gz FBWQLOBRTOZJNN-INIZCTEOSA-N 1 0 369.805 2.508 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@@H]2CCCc2ccccc2)c1 ZINC000135361213 965011620 /nfs/dbraw/zinc/01/16/20/965011620.db2.gz XPQLDRBKMVNVKR-HKUYNNGSSA-N 1 0 358.442 2.640 20 5 FFBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)N3C[C@@H]4CCCC[C@@H]43)c2)CC1 ZINC000934037884 965546841 /nfs/dbraw/zinc/54/68/41/965546841.db2.gz IEBLJIQNOPJODM-YOEHRIQHSA-N 1 0 373.457 2.753 20 5 FFBDRO Cc1c(-n2cc(CC[NH3+])c3cc(O)ccc32)ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001167985626 965861495 /nfs/dbraw/zinc/86/14/95/965861495.db2.gz JIBDGEWMDPQZLB-UHFFFAOYSA-N 1 0 356.338 2.962 20 5 FFBDRO COc1ccc(NC(=O)NC(=O)C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC001176037740 1013616204 /nfs/dbraw/zinc/61/62/04/1013616204.db2.gz XIHADRDPVLQUDH-LBPRGKRZSA-N 1 0 372.381 2.602 20 5 FFBDRO COC(=O)C[C@H]([NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C)C(C)(C)C ZINC001176463720 1013709000 /nfs/dbraw/zinc/70/90/00/1013709000.db2.gz PIFSCMNCTRGFKB-HNNXBMFYSA-N 1 0 365.430 2.799 20 5 FFBDRO CC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[NH+](CCCCC(F)(F)F)CC1 ZINC001270879009 967458013 /nfs/dbraw/zinc/45/80/13/967458013.db2.gz HYJDVRXSFUTIIZ-CHWSQXEVSA-N 1 0 365.396 2.603 20 5 FFBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCOC[C@@H]2C[C@@H]2CCCO2)cc1 ZINC001176611807 1013736665 /nfs/dbraw/zinc/73/66/65/1013736665.db2.gz XIMLDYYTBOLCEU-WMZOPIPTSA-N 1 0 350.415 2.634 20 5 FFBDRO C[C@@H](NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)C1([NH+]2CCOCC2)CCCC1 ZINC000255695009 968659977 /nfs/dbraw/zinc/65/99/77/968659977.db2.gz GOVCIQXTQALBQK-CXOKCQFOSA-N 1 0 373.453 2.758 20 5 FFBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 ZINC000177572180 969273537 /nfs/dbraw/zinc/27/35/37/969273537.db2.gz PQSDZIJTAFXIMC-CABCVRRESA-N 1 0 360.458 2.798 20 5 FFBDRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000874847389 1013917683 /nfs/dbraw/zinc/91/76/83/1013917683.db2.gz PBMBBLHGKQLCHA-RTBURBONSA-N 1 0 372.469 2.894 20 5 FFBDRO O=[N+]([O-])c1c(I)cccc1O[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]12 ZINC001218460588 970221742 /nfs/dbraw/zinc/22/17/42/970221742.db2.gz MZNDGPCMBWMTET-FXPVBKGRSA-N 1 0 374.178 2.576 20 5 FFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1COC(=O)COC1CC[NH+](C)CC1 ZINC000923789865 970309133 /nfs/dbraw/zinc/30/91/33/970309133.db2.gz MIZQWGZZPTYAHU-UHFFFAOYSA-N 1 0 366.414 2.536 20 5 FFBDRO C[C@H](NC(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1)C(C)(C)C[NH+](C)C ZINC000895436385 970612130 /nfs/dbraw/zinc/61/21/30/970612130.db2.gz PYDRYGFQQSGHOC-AWEZNQCLSA-N 1 0 373.457 2.546 20 5 FFBDRO CC[NH2+][C@H](C)CNC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000262436524 973183621 /nfs/dbraw/zinc/18/36/21/973183621.db2.gz GMNMDKHBSJGZFH-RBSFLKMASA-N 1 0 362.474 2.805 20 5 FFBDRO C[C@H](CNC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000897057928 973202211 /nfs/dbraw/zinc/20/22/11/973202211.db2.gz KIWPBKOYURXYCG-BFYDXBDKSA-N 1 0 360.458 2.967 20 5 FFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@@H](CO)c3ccccc3C(F)(F)F)C2)c1 ZINC000897330268 974305253 /nfs/dbraw/zinc/30/52/53/974305253.db2.gz NXMOYWUGMYTWHA-NWHVRFAMSA-N 1 0 370.331 2.837 20 5 FFBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CCN(C)Cc3ccccc32)cc1[N+](=O)[O-] ZINC000728833565 974924351 /nfs/dbraw/zinc/92/43/51/974924351.db2.gz HDOOBKYFOKZLTJ-UHFFFAOYSA-N 1 0 370.365 2.904 20 5 FFBDRO C[C@H](OC(=O)[C@@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1)c1ccccc1[N+](=O)[O-] ZINC000876466364 1014278107 /nfs/dbraw/zinc/27/81/07/1014278107.db2.gz BCITYVLUSRUNCJ-IAOVAPTHSA-N 1 0 372.425 2.668 20 5 FFBDRO Cn1c2ccccc2c(N2CCCC3(CC[NH+](C)CC3)C2)c([N+](=O)[O-])c1=O ZINC000893669433 976979396 /nfs/dbraw/zinc/97/93/96/976979396.db2.gz YNIIORKWXWURRT-UHFFFAOYSA-N 1 0 370.453 2.759 20 5 FFBDRO C[C@]12CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@]1(C)C[N@H+](C/C=C/c1ccccc1)C2 ZINC000982278561 977375734 /nfs/dbraw/zinc/37/57/34/977375734.db2.gz IRQSYYKCDFDNKU-KJORPVEGSA-N 1 0 369.465 2.535 20 5 FFBDRO COC[C@H](C)Oc1ccc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)cc1 ZINC000825903247 1014399831 /nfs/dbraw/zinc/39/98/31/1014399831.db2.gz ARCGCFNRNHDRAA-HNNXBMFYSA-N 1 0 359.426 2.974 20 5 FFBDRO C[C@]([NH3+])(C(=O)N[C@@H]1[C@H]2Cc3cc(Cl)ccc3[C@@H]12)c1cccc([N+](=O)[O-])c1 ZINC000876993665 1014443427 /nfs/dbraw/zinc/44/34/27/1014443427.db2.gz MSHXQFOYIWXSMD-DODZYUBVSA-N 1 0 371.824 2.877 20 5 FFBDRO Cc1c(C(=O)NC[C@@H](C)C[NH+]2CCCC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000126418676 1014520094 /nfs/dbraw/zinc/52/00/94/1014520094.db2.gz PCUVEVBQKAIYJB-LLVKDONJSA-N 1 0 364.402 2.582 20 5 FFBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N[C@@H]1CCCCC12CC[NH2+]CC2 ZINC000877406087 1014577418 /nfs/dbraw/zinc/57/74/18/1014577418.db2.gz QTJLRICZWCHGLE-QGZVFWFLSA-N 1 0 360.458 2.825 20 5 FFBDRO CCc1nnc(C2CC[NH+](CCCOc3ccc([N+](=O)[O-])cc3)CC2)[nH]1 ZINC000190646888 979904515 /nfs/dbraw/zinc/90/45/15/979904515.db2.gz MGADMSDBUNITJI-UHFFFAOYSA-N 1 0 359.430 2.924 20 5 FFBDRO [NH3+]CCN(Cc1ccc(C(=O)N2CCCC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000877523035 1014610887 /nfs/dbraw/zinc/61/08/87/1014610887.db2.gz VKTYLZADTHZZQW-UHFFFAOYSA-N 1 0 368.437 2.796 20 5 FFBDRO Cn1ccnc1[C@@H](Cc1ccccc1)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877612629 1014645060 /nfs/dbraw/zinc/64/50/60/1014645060.db2.gz MGHVZFPKNMIUKA-LEOMRAHMSA-N 1 0 366.425 2.802 20 5 FFBDRO O=C(CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)N1CCCCCC1 ZINC000129166723 981376052 /nfs/dbraw/zinc/37/60/52/981376052.db2.gz FQWYOJANVFBLQG-UHFFFAOYSA-N 1 0 374.485 2.946 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)[NH2+]C2CC(c3ccc(F)cc3)C2)cc1 ZINC000877832142 1014748057 /nfs/dbraw/zinc/74/80/57/1014748057.db2.gz GPPUWJOAJYWYEK-IZVXFFJCSA-N 1 0 360.385 2.664 20 5 FFBDRO CCCc1ccc(C[NH2+]C2CC3(CC(NC(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)C2)cc1 ZINC000963791873 1014766575 /nfs/dbraw/zinc/76/65/75/1014766575.db2.gz SPMQRSZWYAUYNI-JGQKGBITSA-N 1 0 371.481 2.821 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)OCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000910205970 981857651 /nfs/dbraw/zinc/85/76/51/981857651.db2.gz RGMYDGRHTCOVKI-UHFFFAOYSA-N 1 0 372.425 2.829 20 5 FFBDRO Cc1c(NC(=O)N2CCC[C@@H]([NH2+]C3CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000877952360 1014782709 /nfs/dbraw/zinc/78/27/09/1014782709.db2.gz KAYVTGWJJKGJJO-OAHLLOKOSA-N 1 0 362.430 2.668 20 5 FFBDRO Cn1ccnc1[C@H](NCC[N@@H+]1CCC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000898035091 982599878 /nfs/dbraw/zinc/59/98/78/982599878.db2.gz KPPDMGAVSNNLQS-QGZVFWFLSA-N 1 0 357.458 2.739 20 5 FFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878178643 1014902133 /nfs/dbraw/zinc/90/21/33/1014902133.db2.gz IKNFAUXSNDYHIO-KGLIPLIRSA-N 1 0 357.414 2.703 20 5 FFBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)CC[C@H]21 ZINC000878351593 1014997661 /nfs/dbraw/zinc/99/76/61/1014997661.db2.gz SIZLKAVLBYDZKN-ZWNOBZJWSA-N 1 0 370.356 2.754 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000878357530 1015001510 /nfs/dbraw/zinc/00/15/10/1015001510.db2.gz CEJHLFMWYQRFDA-ZDUSSCGKSA-N 1 0 357.414 2.577 20 5 FFBDRO O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912923494 984145814 /nfs/dbraw/zinc/14/58/14/984145814.db2.gz FHDVZQAZGUQGNU-INIZCTEOSA-N 1 0 358.442 2.505 20 5 FFBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N(C)[C@H]2CCC[N@H+](C)C2)CC1 ZINC000151180416 984204284 /nfs/dbraw/zinc/20/42/84/984204284.db2.gz RSTUKNHIIALUGL-KRWDZBQOSA-N 1 0 374.485 2.997 20 5 FFBDRO C[N@H+](CCCOC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000129534527 984293446 /nfs/dbraw/zinc/29/34/46/984293446.db2.gz SWDOQXRWTUOIJA-UHFFFAOYSA-N 1 0 360.414 2.592 20 5 FFBDRO Cc1ccc2ccccc2c1C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000996429191 984353063 /nfs/dbraw/zinc/35/30/63/984353063.db2.gz LPFLQSVMIODMKA-UYAOXDASSA-N 1 0 367.449 2.894 20 5 FFBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000055748207 984379615 /nfs/dbraw/zinc/37/96/15/984379615.db2.gz MTJDFOGZYXHWPN-JHJVBQTASA-N 1 0 364.402 2.599 20 5 FFBDRO CCCCNC(=O)[C@@H]1CCC[N@H+](Cn2nc(C)c3cc([N+](=O)[O-])ccc32)C1 ZINC000764945512 984872998 /nfs/dbraw/zinc/87/29/98/984872998.db2.gz HYHNAUZFGNMXLI-OAHLLOKOSA-N 1 0 373.457 2.839 20 5 FFBDRO C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(C[N@@H+]2CCC3(CCCC3)C2)C1=O ZINC000173441966 985832478 /nfs/dbraw/zinc/83/24/78/985832478.db2.gz CVLLOHDZUNPNLB-GOSISDBHSA-N 1 0 372.425 2.585 20 5 FFBDRO Cc1ccccc1C[NH+]1CCN(c2nc3ccccn3c2[N+](=O)[O-])CC1 ZINC000029842583 986420809 /nfs/dbraw/zinc/42/08/09/986420809.db2.gz SBKDYIKJADXAAY-UHFFFAOYSA-N 1 0 351.410 2.873 20 5 FFBDRO C[C@H]1CN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC[N@H+](Cc2ccccc2)C1 ZINC000324062828 986609056 /nfs/dbraw/zinc/60/90/56/986609056.db2.gz WQPVFDSIHIBCIK-OAHLLOKOSA-N 1 0 368.437 2.771 20 5 FFBDRO COc1cc(I)ccc1O[C@@H](C)C[N+](C)(C)C ZINC001233688336 986641266 /nfs/dbraw/zinc/64/12/66/986641266.db2.gz JMPRVBRVFRZXJU-JTQLQIEISA-N 1 0 350.220 2.773 20 5 FFBDRO [NH3+]CCc1nc(-c2ccccc2)nn1-c1cc2cccnc2c([N+](=O)[O-])c1 ZINC001168715785 988229932 /nfs/dbraw/zinc/22/99/32/988229932.db2.gz ZADSXLCLWQVYGE-UHFFFAOYSA-N 1 0 360.377 2.892 20 5 FFBDRO C[C@](O)(C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2)c1cccc(F)c1 ZINC000922567856 988694675 /nfs/dbraw/zinc/69/46/75/988694675.db2.gz WQKHXQIMOKWEGR-SFHVURJKSA-N 1 0 362.357 2.502 20 5 FFBDRO CCCCCNC(=O)C1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000153737370 988919976 /nfs/dbraw/zinc/91/99/76/988919976.db2.gz LJAUTDWSGTVWAB-GOSISDBHSA-N 1 0 363.458 2.647 20 5 FFBDRO CN(C(=O)C[N@@H+]1CCC[C@@H]1[C@@H](O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000879244862 1015435457 /nfs/dbraw/zinc/43/54/57/1015435457.db2.gz UBUWDCXREMWAQX-QUCCMNQESA-N 1 0 369.421 2.756 20 5 FFBDRO O=C(NCc1ccc(C[NH2+]Cc2ccc(CF)cc2)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001034815693 990275125 /nfs/dbraw/zinc/27/51/25/990275125.db2.gz AWZZWVUMXVAULL-RTBURBONSA-N 1 0 371.412 2.727 20 5 FFBDRO Cn1ccnc1[C@H]1CCCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000444657045 990299845 /nfs/dbraw/zinc/29/98/45/990299845.db2.gz IYIZASYJYBHTTM-LBPRGKRZSA-N 1 0 353.382 2.829 20 5 FFBDRO CCc1ccc(C[N@@H+]2CCC3(C2)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC3)cc1 ZINC001035187259 990409920 /nfs/dbraw/zinc/40/99/20/990409920.db2.gz SHKYZSMRSGMXEI-RTBURBONSA-N 1 0 371.481 2.729 20 5 FFBDRO CC[NH+]1CCN(c2ccccc2NC(=O)c2cc([N+](=O)[O-])cnc2C)CC1 ZINC000194724084 990478376 /nfs/dbraw/zinc/47/83/76/990478376.db2.gz NVUFLLOCNRBGJB-UHFFFAOYSA-N 1 0 369.425 2.692 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000130496432 990543648 /nfs/dbraw/zinc/54/36/48/990543648.db2.gz RQHHCUBFEMVIRU-INIZCTEOSA-N 1 0 369.469 2.901 20 5 FFBDRO C[C@@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C1([NH+]2CCOCC2)CCCC1 ZINC000155166966 990783968 /nfs/dbraw/zinc/78/39/68/990783968.db2.gz GOVCIQXTQALBQK-YXMGTMDOSA-N 1 0 373.453 2.758 20 5 FFBDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000923308299 991045773 /nfs/dbraw/zinc/04/57/73/991045773.db2.gz BLRSNUXRAAZNND-GOEBONIOSA-N 1 0 358.442 2.504 20 5 FFBDRO O=[N+]([O-])c1cccc([C@@H](O)CN(Cc2ccccn2)[C@H]2CCC[NH2+]CC2)c1 ZINC000923337154 991075905 /nfs/dbraw/zinc/07/59/05/991075905.db2.gz XFRKRKIIGGDCJM-ICSRJNTNSA-N 1 0 370.453 2.668 20 5 FFBDRO CC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[NH+](C/C=C/c2ccccc2)CC1 ZINC001484135709 991406476 /nfs/dbraw/zinc/40/64/76/991406476.db2.gz GBAPFLMIQINRRV-HEAXLZMOSA-N 1 0 357.454 2.583 20 5 FFBDRO Cc1cncc([C@@H]2CCC[N@@H+]2C[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000879749198 1015664140 /nfs/dbraw/zinc/66/41/40/1015664140.db2.gz UIVJIZHADFMKGF-MJGOQNOKSA-N 1 0 357.410 2.875 20 5 FFBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH2+][C@@H]1CCC[C@]12CCCO2 ZINC000880504900 1015858217 /nfs/dbraw/zinc/85/82/17/1015858217.db2.gz FQYJZQYKPRGHOH-AEFFLSMTSA-N 1 0 361.398 2.584 20 5 FFBDRO CCOc1cc(C(=O)O[C@H]2CC[N@@H+]3CCC[C@H]3C2)c([N+](=O)[O-])cc1OC ZINC000810846312 994953825 /nfs/dbraw/zinc/95/38/25/994953825.db2.gz IROBERZTOZKVKJ-STQMWFEESA-N 1 0 364.398 2.786 20 5 FFBDRO O=C(O[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000810852795 994958046 /nfs/dbraw/zinc/95/80/46/994958046.db2.gz RBAKROBBZNQHAC-IRXDYDNUSA-N 1 0 356.382 2.564 20 5 FFBDRO CC[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H](C)[C@H](O)c1ccccc1 ZINC000812849845 995552112 /nfs/dbraw/zinc/55/21/12/995552112.db2.gz KGPVLYBURVXODE-ACJLOTCBSA-N 1 0 357.410 2.638 20 5 FFBDRO CC[C@@H](C(=O)O[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1)[NH+](CC)CC ZINC000813173990 995633416 /nfs/dbraw/zinc/63/34/16/995633416.db2.gz NMUGXMFXFOPYDU-ROUUACIJSA-N 1 0 363.458 2.833 20 5 FFBDRO CC[NH+](CC)CC(C)(C)COC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000813149974 995634981 /nfs/dbraw/zinc/63/49/81/995634981.db2.gz HJDPZVQQKICOCH-UHFFFAOYSA-N 1 0 366.414 2.891 20 5 FFBDRO C[NH+](C)CCN(Cc1ccccn1)C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000730547833 997278774 /nfs/dbraw/zinc/27/87/74/997278774.db2.gz JAJYUGYZPJYSIY-FLIBITNWSA-N 1 0 354.410 2.593 20 5 FFBDRO COC1CC[NH+](C(C)(C)CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000730789185 997483662 /nfs/dbraw/zinc/48/36/62/997483662.db2.gz GYMAWQGETXSOGB-RMKNXTFCSA-N 1 0 361.442 2.614 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(COC(=O)[C@H](C(C)C)[NH+]2CCCC2)c1 ZINC000845124873 998387953 /nfs/dbraw/zinc/38/79/53/998387953.db2.gz VGEPWNPJROKNHU-INIZCTEOSA-N 1 0 364.398 2.545 20 5 FFBDRO C[C@@H](C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2)[NH+]1[C@H](C)CC[C@H]1C ZINC000741015323 999702829 /nfs/dbraw/zinc/70/28/29/999702829.db2.gz ADSASBOKVPBLPS-UPJWGTAASA-N 1 0 364.398 2.766 20 5 FFBDRO C[NH+]1CCN(c2ccccc2NC(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000741889046 999746838 /nfs/dbraw/zinc/74/68/38/999746838.db2.gz PLLWLTUWTWKZOC-UHFFFAOYSA-N 1 0 354.410 2.528 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccccc2N2CC[NH+](C)CC2)c1 ZINC000741890960 999746854 /nfs/dbraw/zinc/74/68/54/999746854.db2.gz PMCUINFIZGDKIZ-UHFFFAOYSA-N 1 0 354.410 2.907 20 5 FFBDRO O=C1OCCN1c1cc([N+](=O)[O-])ccc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000742393973 999771991 /nfs/dbraw/zinc/77/19/91/999771991.db2.gz XPKTYCFRHWNGKV-UHFFFAOYSA-N 1 0 374.441 2.864 20 5 FFBDRO O=C(NC[C@H]1C[C@H]([NH2+]Cc2cc3ccccc3s2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001086363401 999870170 /nfs/dbraw/zinc/87/01/70/999870170.db2.gz RRZHEDIJWSJCKW-UIBBOPPKSA-N 1 0 359.451 2.551 20 5 FFBDRO COCOc1ccc(OC)cc1CNCc1cc([N+](=O)[O-])ccc1OC ZINC000766463972 999995557 /nfs/dbraw/zinc/99/55/57/999995557.db2.gz NONNDSVOJLNWGK-UHFFFAOYSA-N 1 0 362.382 2.885 20 5 FFBDRO CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001168985433 1000012432 /nfs/dbraw/zinc/01/24/32/1000012432.db2.gz FEYQTPOCZRBJQT-UVPYHEFZSA-N 1 0 353.463 2.952 20 5 FFBDRO CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]([NH2+][C@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@@H]2C1 ZINC001168965059 1000013196 /nfs/dbraw/zinc/01/31/96/1000013196.db2.gz XPMQAGBCWOINFC-RBGFHDKUSA-N 1 0 353.463 2.667 20 5 FFBDRO O=C(c1cccc(F)c1)N1CCC(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168992907 1000013996 /nfs/dbraw/zinc/01/39/96/1000013996.db2.gz LIVJJEWTMVAJAQ-CRAIPNDOSA-N 1 0 363.433 2.713 20 5 FFBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H]2CCCN(c3ncnc4ccccc43)C2)C1 ZINC001168998204 1000014180 /nfs/dbraw/zinc/01/41/80/1000014180.db2.gz JPHCSYXPOKKWMY-OAGGEKHMSA-N 1 0 355.442 2.634 20 5 FFBDRO O=C1c2ccccc2CN1[C@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168998130 1000014201 /nfs/dbraw/zinc/01/42/01/1000014201.db2.gz IOLISOZARYUEHP-VDHUWJSZSA-N 1 0 357.454 2.989 20 5 FFBDRO CC(C)(C)OC(=O)N1CC[C@]2(CC[N@@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C2)C1 ZINC001169010290 1000015320 /nfs/dbraw/zinc/01/53/20/1000015320.db2.gz CHLDJXDLQQBEJJ-DAYGRLMNSA-N 1 0 353.463 2.765 20 5 FFBDRO CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169010595 1000015344 /nfs/dbraw/zinc/01/53/44/1000015344.db2.gz DYFIVXHWNHDCMB-FZKCQIBNSA-N 1 0 353.463 2.906 20 5 FFBDRO CC(C)(C)OC(=O)N1CC[C@]2(CC[N@@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)C1 ZINC001169010292 1000015380 /nfs/dbraw/zinc/01/53/80/1000015380.db2.gz CHLDJXDLQQBEJJ-RKVPGOIHSA-N 1 0 353.463 2.765 20 5 FFBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2ccccc2I)C1 ZINC001168988151 1000015896 /nfs/dbraw/zinc/01/58/96/1000015896.db2.gz OMJFQCFGGWIAHG-JQWIXIFHSA-N 1 0 360.195 2.826 20 5 FFBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C[C@@H](c2ccccc2Cl)N2CCOCC2)C1 ZINC001168989996 1000016250 /nfs/dbraw/zinc/01/62/50/1000016250.db2.gz AHQVFBLQSUEXHP-VKJFTORMSA-N 1 0 367.877 2.748 20 5 FFBDRO CCOCc1nn(CC2CC2)c2c1C[N@@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169024573 1000017814 /nfs/dbraw/zinc/01/78/14/1000017814.db2.gz XFCKRTPOOVYIKZ-HZPDHXFCSA-N 1 0 362.474 2.633 20 5 FFBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCO[C@H]3[C@H](OCC4CCCC4)CC[C@@H]32)C1 ZINC001169025130 1000018082 /nfs/dbraw/zinc/01/80/82/1000018082.db2.gz XUGAKPVNMMPPLI-ICBNADEASA-N 1 0 352.475 2.870 20 5 FFBDRO CN1Cc2ccccc2CC2(CC[NH+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)C1=O ZINC001169026486 1000018248 /nfs/dbraw/zinc/01/82/48/1000018248.db2.gz XOZUYPDHBNTMQT-LPHOPBHVSA-N 1 0 371.481 2.729 20 5 FFBDRO COC(=O)c1ncc([N+](=O)[O-])cc1N[C@H]1CC(C)(C)C[C@](C)(C[NH3+])C1 ZINC001169145777 1000027279 /nfs/dbraw/zinc/02/72/79/1000027279.db2.gz HYMZYVJYDANRBF-APPDUMDISA-N 1 0 350.419 2.732 20 5 FFBDRO COC(=O)COc1c(C)cc(NC(C)(C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC001169717352 1000072284 /nfs/dbraw/zinc/07/22/84/1000072284.db2.gz BUOAJBVTQZKQLA-UHFFFAOYSA-N 1 0 353.419 2.597 20 5 FFBDRO CCC[C@H]1CN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1CCOC ZINC000767122663 1000100345 /nfs/dbraw/zinc/10/03/45/1000100345.db2.gz HVFPVNIGLGZRAR-HKMNZKMDSA-N 1 0 361.442 2.567 20 5 FFBDRO CC(C)c1n[nH]c(C(=O)N(CCc2ccccc2)CC[NH+](C)C)c1[N+](=O)[O-] ZINC000771286412 1001057431 /nfs/dbraw/zinc/05/74/31/1001057431.db2.gz FWSXJRZXJOTMIH-UHFFFAOYSA-N 1 0 373.457 2.688 20 5 FFBDRO C[N@@H+]1CCCC[C@H]1CCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000788260677 1001780154 /nfs/dbraw/zinc/78/01/54/1001780154.db2.gz FGNVTEMZBCSQAK-INIZCTEOSA-N 1 0 360.458 2.508 20 5 FFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1COC2(CCCC2)O1 ZINC000774480298 1001925952 /nfs/dbraw/zinc/92/59/52/1001925952.db2.gz VKEUYMZFCGLJHX-CJNGLKHVSA-N 1 0 363.414 2.587 20 5 FFBDRO CC(C)[C@@H](CNc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-])[NH+]1CCCC1 ZINC001184738846 1002710444 /nfs/dbraw/zinc/71/04/44/1002710444.db2.gz CHODRPDTXOMGLC-MRXNPFEDSA-N 1 0 358.442 2.979 20 5 FFBDRO O=C(COC(=O)c1ccc2c[nH+]cn2c1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000792553212 1003032731 /nfs/dbraw/zinc/03/27/31/1003032731.db2.gz ZXYCYYPBLMITOC-UHFFFAOYSA-N 1 0 374.740 2.691 20 5 FFBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2ccnc(OC(C)C)n2)c([N+](=O)[O-])c1 ZINC001170323692 1003111776 /nfs/dbraw/zinc/11/17/76/1003111776.db2.gz LKZYHXKNHSUNOE-CYBMUJFWSA-N 1 0 360.414 2.901 20 5 FFBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2ccnc(OCC3CC3)n2)c([N+](=O)[O-])c1 ZINC001170324161 1003111851 /nfs/dbraw/zinc/11/18/51/1003111851.db2.gz PHPAPWGSNXETAK-CYBMUJFWSA-N 1 0 372.425 2.903 20 5 FFBDRO COc1ccc(C[C@H](C)[NH2+]CCNC(=O)c2cccs2)c([N+](=O)[O-])c1 ZINC001170326543 1003113149 /nfs/dbraw/zinc/11/31/49/1003113149.db2.gz MDSIYQMXACDRCI-LBPRGKRZSA-N 1 0 363.439 2.616 20 5 FFBDRO COc1ccc(C[C@@H](C)[NH2+][C@H](CO)c2ccccc2OC)c([N+](=O)[O-])c1 ZINC001170326558 1003113819 /nfs/dbraw/zinc/11/38/19/1003113819.db2.gz MNUDBFCJIXRREV-CXAGYDPISA-N 1 0 360.410 2.866 20 5 FFBDRO COc1ccc(C[C@@H](C)Nc2ccc([C@@H](C[NH3+])CO)cc2)c([N+](=O)[O-])c1 ZINC001170327467 1003114916 /nfs/dbraw/zinc/11/49/16/1003114916.db2.gz RVXDGHCAIZJNFS-CJNGLKHVSA-N 1 0 359.426 2.681 20 5 FFBDRO COC(=O)[C@@H]1C[C@H]([NH2+][C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1(C)C ZINC001170307853 1003119955 /nfs/dbraw/zinc/11/99/55/1003119955.db2.gz JBLPCHCMECCFQP-PJODQICGSA-N 1 0 350.415 2.712 20 5 FFBDRO COc1ccc(C[C@@H](C)[N@H+](C(C)C)[C@H]2CCN(C(C)=O)C2)c([N+](=O)[O-])c1 ZINC001170354649 1003121166 /nfs/dbraw/zinc/12/11/66/1003121166.db2.gz NMDSRKDFAOHRGN-PBHICJAKSA-N 1 0 363.458 2.866 20 5 FFBDRO COc1ccc(C[C@@H](C)[NH+]2CCC3(CCC(=O)N3C)CC2)c([N+](=O)[O-])c1 ZINC001170354795 1003122935 /nfs/dbraw/zinc/12/29/35/1003122935.db2.gz PDWYPWLRFZFPMS-CQSZACIVSA-N 1 0 361.442 2.621 20 5 FFBDRO COc1ccc(C[C@@H](C)N(c2ccncn2)C2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC001170356235 1003123027 /nfs/dbraw/zinc/12/30/27/1003123027.db2.gz YOKZDDSVOOTKNJ-CQSZACIVSA-N 1 0 371.441 2.583 20 5 FFBDRO COc1ccc(C[C@H](C)[NH+]2CCC3(CCC(=O)N3C)CC2)c([N+](=O)[O-])c1 ZINC001170354794 1003123209 /nfs/dbraw/zinc/12/32/09/1003123209.db2.gz PDWYPWLRFZFPMS-AWEZNQCLSA-N 1 0 361.442 2.621 20 5 FFBDRO CCOCC[NH+](CCOCC)[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170348489 1003134219 /nfs/dbraw/zinc/13/42/19/1003134219.db2.gz XSSXFHPJPKENEN-HNNXBMFYSA-N 1 0 354.447 2.909 20 5 FFBDRO COc1c(C(=O)N(C)c2ccc(OCC[NH+](C)C)cc2)cccc1[N+](=O)[O-] ZINC000793483237 1003384065 /nfs/dbraw/zinc/38/40/65/1003384065.db2.gz PTGJSZBGFQSFSH-UHFFFAOYSA-N 1 0 373.409 2.820 20 5 FFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1OS(=O)(=O)C[C@@]12CC[N@H+](C1)CCC2 ZINC001186970162 1003505272 /nfs/dbraw/zinc/50/52/72/1003505272.db2.gz DTDYNCNHJUBYCM-HNNXBMFYSA-N 1 0 374.846 2.751 20 5 FFBDRO CC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000775678955 1003633520 /nfs/dbraw/zinc/63/35/20/1003633520.db2.gz WYOHTLQQBAVKHM-APWZRJJASA-N 1 0 374.485 2.802 20 5 FFBDRO C[N@H+](Cc1ccccc1)C1CN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000804532709 1003714158 /nfs/dbraw/zinc/71/41/58/1003714158.db2.gz HHNSGQRHAHBNFS-FMIVXFBMSA-N 1 0 351.406 2.951 20 5 FFBDRO CC(C)(C)OC(=O)NCC[C@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000805765710 1004138992 /nfs/dbraw/zinc/13/89/92/1004138992.db2.gz XYLOFYYHJHOZNZ-CQSZACIVSA-N 1 0 367.450 2.561 20 5 FFBDRO O=C(C[NH2+]CC1(C2(O)CCC2)CCC1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC001197681070 1004320280 /nfs/dbraw/zinc/32/02/80/1004320280.db2.gz FVCCXKYOWDKCIK-UHFFFAOYSA-N 1 0 367.833 2.862 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2C[C@H]3COC[C@@]3(c3ccccc3)C2)cc1 ZINC001197683043 1004320533 /nfs/dbraw/zinc/32/05/33/1004320533.db2.gz RTPVPQGQDUJYQJ-DFQSSKMNSA-N 1 0 354.406 2.528 20 5 FFBDRO Cc1cc(C)cc(C2CC[NH+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)c1 ZINC001198466958 1004628024 /nfs/dbraw/zinc/62/80/24/1004628024.db2.gz FJVHXNCNMYHMQT-IBGZPJMESA-N 1 0 358.442 2.649 20 5 FFBDRO CCC(CC)C(=O)N1CCC([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776277932 1005343214 /nfs/dbraw/zinc/34/32/14/1005343214.db2.gz QXKOQANGGJHLMH-GOSISDBHSA-N 1 0 363.458 2.645 20 5 FFBDRO O=C(N[C@H]1CC[C@H](C[NH2+]Cc2ccc(CF)cc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001050325584 1016968817 /nfs/dbraw/zinc/96/88/17/1016968817.db2.gz INGCHBCPZSGSLU-BRSBDYLESA-N 1 0 363.433 2.586 20 5 FFBDRO COc1ccc(N2C[C@@H]([NH2+][C@@H](C)c3ccc(N)c([N+](=O)[O-])c3)CC2=O)cc1 ZINC000850516815 1005819938 /nfs/dbraw/zinc/81/99/38/1005819938.db2.gz ZBZSZKBEZWDAFM-JSGCOSHPSA-N 1 0 370.409 2.642 20 5 FFBDRO CO[C@@H](C(=O)O[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1)C1CCCC1 ZINC000851035475 1005857950 /nfs/dbraw/zinc/85/79/50/1005857950.db2.gz NZAOMRMIFXWRAG-ZWKOTPCHSA-N 1 0 362.426 2.918 20 5 FFBDRO COc1cccc([C@@H]2CN(C[C@H](O)c3ccc([N+](=O)[O-])cc3)CCO2)c1 ZINC000776586205 1005972190 /nfs/dbraw/zinc/97/21/90/1005972190.db2.gz KPXASTQDKDNMCR-OALUTQOASA-N 1 0 358.394 2.710 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@H+](CCc2ccccc2)[C@@H]2CCOC2)cc1 ZINC000776590373 1006001969 /nfs/dbraw/zinc/00/19/69/1006001969.db2.gz DBYIJSHMEOJQNN-WOJBJXKFSA-N 1 0 356.422 2.962 20 5 FFBDRO COc1cc(N[C@H]2CCC[N@@H+]3CCSC[C@H]23)c([N+](=O)[O-])cc1OC ZINC001187593677 1006148049 /nfs/dbraw/zinc/14/80/49/1006148049.db2.gz NNNVXHCWWTWFTK-SMDDNHRTSA-N 1 0 353.444 2.604 20 5 FFBDRO C[C@@H]1CN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CCN1c1cc[nH+]cc1 ZINC000881636922 1006166606 /nfs/dbraw/zinc/16/66/06/1006166606.db2.gz RMHIDBQMZXORTG-CYBMUJFWSA-N 1 0 365.393 2.822 20 5 FFBDRO C[NH+](C)CC[C@@H](NC(=O)CCNc1ccccc1[N+](=O)[O-])c1cccnc1 ZINC001134125061 1006183117 /nfs/dbraw/zinc/18/31/17/1006183117.db2.gz PJJZZWJABFIBJW-MRXNPFEDSA-N 1 0 371.441 2.601 20 5 FFBDRO COc1ccc([C@@H](CNc2ccnc(F)c2[N+](=O)[O-])[NH+](C)C)cc1OC ZINC000881752411 1006206414 /nfs/dbraw/zinc/20/64/14/1006206414.db2.gz ZVKCEJQUOSPQCY-CYBMUJFWSA-N 1 0 364.377 2.861 20 5 FFBDRO COc1ccc([C@H](CNc2ccnc(F)c2[N+](=O)[O-])[NH+](C)C)cc1OC ZINC000881752412 1006207012 /nfs/dbraw/zinc/20/70/12/1006207012.db2.gz ZVKCEJQUOSPQCY-ZDUSSCGKSA-N 1 0 364.377 2.861 20 5 FFBDRO COc1cc[nH+]c(N2CCN(c3cccc([N+](=O)[O-])c3C(C)=O)CC2)c1 ZINC000881921702 1006258023 /nfs/dbraw/zinc/25/80/23/1006258023.db2.gz AZGJHBGTAONRTH-UHFFFAOYSA-N 1 0 356.382 2.528 20 5 FFBDRO O=[N+]([O-])c1cn(C[N@@H+]2CCC[C@H]2C2CCOCC2)nc1-c1ccccn1 ZINC000853505896 1006419474 /nfs/dbraw/zinc/41/94/74/1006419474.db2.gz SBXVOVSIKNXBSY-INIZCTEOSA-N 1 0 357.414 2.702 20 5 FFBDRO CN(CCC[N@H+](C)Cc1ccncc1)c1cc(F)c([N+](=O)[O-])cc1CO ZINC000882520848 1006420407 /nfs/dbraw/zinc/42/04/07/1006420407.db2.gz HWCWSZPJDUBNHK-UHFFFAOYSA-N 1 0 362.405 2.580 20 5 FFBDRO O=[N+]([O-])c1cn(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCOC2)nc1-c1ccccn1 ZINC000853517708 1006423463 /nfs/dbraw/zinc/42/34/63/1006423463.db2.gz BUMWRRKLBAJKBQ-GDBMZVCRSA-N 1 0 357.414 2.702 20 5 FFBDRO O=[N+]([O-])c1cn(CN2CC[C@@H](Oc3ccccc3)C2)nc1-c1ccncc1 ZINC000853594018 1006466119 /nfs/dbraw/zinc/46/61/19/1006466119.db2.gz NRFJHGOYDSBFJP-QGZVFWFLSA-N 1 0 365.393 2.964 20 5 FFBDRO CC1C[C@H]2CC[C@@H](C1)[N@H+]2CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000853604873 1006471748 /nfs/dbraw/zinc/47/17/48/1006471748.db2.gz DPCDYJCEXMGJFI-AGUYFDCRSA-N 1 0 358.398 2.584 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC[C@@H]([NH2+]C3CCOCC3)C2)c2ncccc12 ZINC000882725284 1006489610 /nfs/dbraw/zinc/48/96/10/1006489610.db2.gz OIVIDQHFWIWQNT-OAHLLOKOSA-N 1 0 356.426 2.880 20 5 FFBDRO CCC(=O)c1ccc(N2CCC[C@@H]([NH2+]C3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000882726422 1006489622 /nfs/dbraw/zinc/48/96/22/1006489622.db2.gz UBHQVGQEKOVRQM-MRXNPFEDSA-N 1 0 361.442 2.925 20 5 FFBDRO O=[N+]([O-])c1ccc2nccc(N3CCC[C@@H]([NH2+]C4CCOCC4)C3)c2c1 ZINC000882727678 1006491220 /nfs/dbraw/zinc/49/12/20/1006491220.db2.gz CARAROWQFDZHHN-OAHLLOKOSA-N 1 0 356.426 2.880 20 5 FFBDRO O=[N+]([O-])c1cc2c(nc1N1CCC[C@H]([NH2+]C3CCOCC3)C1)CCCC2 ZINC000882727373 1006491370 /nfs/dbraw/zinc/49/13/70/1006491370.db2.gz UQFQVJLBOGQPDL-INIZCTEOSA-N 1 0 360.458 2.606 20 5 FFBDRO CN(CC(=[NH2+])NOCc1c(F)cc([N+](=O)[O-])cc1F)C(=O)OC(C)(C)C ZINC000853719801 1006514576 /nfs/dbraw/zinc/51/45/76/1006514576.db2.gz RIUDKYYRWZJAJU-UHFFFAOYSA-N 1 0 374.344 2.738 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)C1 ZINC000853812007 1006543364 /nfs/dbraw/zinc/54/33/64/1006543364.db2.gz GUMZUQCZCYKBTB-LBPRGKRZSA-N 1 0 371.384 2.803 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(Cc2noc(-c3cc4c(s3)CC[NH2+]C4)n2)c1 ZINC000854153784 1006708364 /nfs/dbraw/zinc/70/83/64/1006708364.db2.gz SZJHQDUGNYNDIS-UHFFFAOYSA-N 1 0 372.406 2.951 20 5 FFBDRO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CC[NH2+]CCC12CCC2 ZINC000883530947 1006841397 /nfs/dbraw/zinc/84/13/97/1006841397.db2.gz AKFZORHMLUVKAY-UHFFFAOYSA-N 1 0 370.356 2.946 20 5 FFBDRO CC[N@H+](C)Cc1cc(O[C@H]2CCN(c3ncc(C)cc3[N+](=O)[O-])C2)ccn1 ZINC000856533781 1007872369 /nfs/dbraw/zinc/87/23/69/1007872369.db2.gz MRRRUDJQWYUKJE-KRWDZBQOSA-N 1 0 371.441 2.803 20 5 FFBDRO CC[N@H+](C)Cc1cc(O[C@@H]2CCN(c3nccc(C)c3[N+](=O)[O-])C2)ccn1 ZINC000856533769 1007872461 /nfs/dbraw/zinc/87/24/61/1007872461.db2.gz MISNCHJXHOPQTB-QGZVFWFLSA-N 1 0 371.441 2.803 20 5 FFBDRO [NH3+][C@H]1CCCCCC[C@@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000818476636 1007921164 /nfs/dbraw/zinc/92/11/64/1007921164.db2.gz VWWSHVOPWMOUQV-ROUUACIJSA-N 1 0 360.458 2.541 20 5 FFBDRO CC(C)c1ccc(C(=O)Nc2ccccc2C(=O)NCC[NH3+])cc1[N+](=O)[O-] ZINC000818583213 1007947466 /nfs/dbraw/zinc/94/74/66/1007947466.db2.gz MNCFOMIHMIIVCL-UHFFFAOYSA-N 1 0 370.409 2.659 20 5 FFBDRO COc1cccc(N2CC[C@H](C[NH2+]C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)c1 ZINC000819002075 1008005655 /nfs/dbraw/zinc/00/56/55/1008005655.db2.gz IIEDIIAGKZQWGM-FOIQADDNSA-N 1 0 371.437 2.753 20 5 FFBDRO CC(C)(C)OC(=O)N(CC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000819007579 1008006978 /nfs/dbraw/zinc/00/69/78/1008006978.db2.gz NKZFDLVYVPTIQW-INIZCTEOSA-N 1 0 365.430 2.617 20 5 FFBDRO CC(C)(C)OC(=O)N1CCC[C@H]1C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819040099 1008017010 /nfs/dbraw/zinc/01/70/10/1008017010.db2.gz VKRWPVXQKYKLOC-JKSUJKDBSA-N 1 0 365.430 2.617 20 5 FFBDRO CN(C)[C@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1c(F)cccc1F ZINC000819073015 1008037258 /nfs/dbraw/zinc/03/72/58/1008037258.db2.gz KVYGOKAEHGLVQA-IAGOWNOFSA-N 1 0 365.380 2.799 20 5 FFBDRO COCCOc1cc(C)ccc1C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819146794 1008042903 /nfs/dbraw/zinc/04/29/03/1008042903.db2.gz LDWSBZZXKTVPLW-SFHVURJKSA-N 1 0 360.410 2.752 20 5 FFBDRO O=C1[C@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CCCN1c1ccccc1F ZINC000819193525 1008063297 /nfs/dbraw/zinc/06/32/97/1008063297.db2.gz IFKDHSYOLZSLRA-AEFFLSMTSA-N 1 0 373.384 2.553 20 5 FFBDRO COc1ccccc1OC[C@H](C)C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819195379 1008063969 /nfs/dbraw/zinc/06/39/69/1008063969.db2.gz BOZLGAVNYVGKBH-PBHICJAKSA-N 1 0 360.410 2.942 20 5 FFBDRO COc1cccc2[nH]cc(CC[NH2+]C[C@@H](O)c3cccc([N+](=O)[O-])c3)c21 ZINC000819213277 1008074132 /nfs/dbraw/zinc/07/41/32/1008074132.db2.gz FWMYSECMFQVTPP-QGZVFWFLSA-N 1 0 355.394 2.950 20 5 FFBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000819642723 1008203109 /nfs/dbraw/zinc/20/31/09/1008203109.db2.gz QWVWTJYRMPSOFS-HNAYVOBHSA-N 1 0 366.421 2.524 20 5 FFBDRO C[C@@H]1CC2(CN1C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1)CC[NH2+]CC2 ZINC000857769151 1008204109 /nfs/dbraw/zinc/20/41/09/1008204109.db2.gz CFTFTUULAJZJSR-GFCCVEGCSA-N 1 0 369.368 2.557 20 5 FFBDRO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000820009239 1008265793 /nfs/dbraw/zinc/26/57/93/1008265793.db2.gz CFZYTFQBGLAFHT-VQIMIIECSA-N 1 0 366.421 2.934 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H]1COCCN1C(=O)OC(C)(C)C ZINC000858280337 1008339033 /nfs/dbraw/zinc/33/90/33/1008339033.db2.gz PGBGYZGVMRATCE-MRXNPFEDSA-N 1 0 365.430 2.629 20 5 FFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N(CCC[NH2+]CC1CCCC1)CC1CCCC1 ZINC001177313678 1008559148 /nfs/dbraw/zinc/55/91/48/1008559148.db2.gz IXUYACHDOCQRHK-QZTJIDSGSA-N 1 0 351.491 2.840 20 5 FFBDRO O=C(CC[N@H+]1CCC[C@@](O)(c2ccccc2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000859587748 1008581935 /nfs/dbraw/zinc/58/19/35/1008581935.db2.gz OXDRBFZHVCBQFE-FQEVSTJZSA-N 1 0 369.421 2.907 20 5 FFBDRO O=[N+]([O-])c1c(NCC2([NH+]3CCOCC3)CCCCC2)nc2ccccn21 ZINC000137647652 1008637385 /nfs/dbraw/zinc/63/73/85/1008637385.db2.gz FPXRZCBBCZFIFA-UHFFFAOYSA-N 1 0 359.430 2.690 20 5 FFBDRO CN1CC[NH+](CCCO[C@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)CC1 ZINC001206595344 1032359373 /nfs/dbraw/zinc/35/93/73/1032359373.db2.gz FBNAQFYNARQWEJ-OAHLLOKOSA-N 1 0 361.364 2.852 20 5 FFBDRO O=[N+]([O-])c1c(N2CCC[N@H+](Cc3ccccc3)CC2)nc2ccccn21 ZINC000139593369 1008982755 /nfs/dbraw/zinc/98/27/55/1008982755.db2.gz XEDKYLQMLAIDFN-UHFFFAOYSA-N 1 0 351.410 2.955 20 5 FFBDRO O=C(NCCCCCC[NH2+]Cc1ccc(Cl)cc1F)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001178458721 1008994564 /nfs/dbraw/zinc/99/45/64/1008994564.db2.gz UXUAMRZLPJVEDW-GDBMZVCRSA-N 1 0 371.840 2.911 20 5 FFBDRO C[N@@H+]1C[C@@H](NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)C(C)(C)C1 ZINC001178709398 1009099544 /nfs/dbraw/zinc/09/95/44/1009099544.db2.gz NNHVVJQDVMBOHB-LJQANCHMSA-N 1 0 363.461 2.611 20 5 FFBDRO Cc1ccc2ccccc2c1C[NH2+]C/C=C\CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001274016800 1009265274 /nfs/dbraw/zinc/26/52/74/1009265274.db2.gz OSVXFBYFUQYXHJ-PKVWGGKHSA-N 1 0 353.422 2.575 20 5 FFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134871171 1009495867 /nfs/dbraw/zinc/49/58/67/1009495867.db2.gz GYGPZIODBMOILR-SPYBWZPUSA-N 1 0 372.469 2.871 20 5 FFBDRO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1ccc(S(N)(=O)=O)cc1 ZINC001180178064 1009573877 /nfs/dbraw/zinc/57/38/77/1009573877.db2.gz NATBFHFMYPXFFY-UHFFFAOYSA-N 1 0 363.439 2.653 20 5 FFBDRO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2C(=O)[C@H](C)N(C)C ZINC001180862925 1009879509 /nfs/dbraw/zinc/87/95/09/1009879509.db2.gz WPRLYCAWIKXTDQ-LBPRGKRZSA-N 1 0 352.438 2.845 20 5 FFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCN2CCc3ccccc32)n1 ZINC000774141364 1010478080 /nfs/dbraw/zinc/47/80/80/1010478080.db2.gz CBKMNAIQDSZZQU-AEFFLSMTSA-N 1 0 355.442 2.927 20 5 FFBDRO C[C@H](C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)NC(=O)OC(C)(C)C ZINC000794823533 1010743267 /nfs/dbraw/zinc/74/32/67/1010743267.db2.gz FNDMFFPPYPUFAV-MGPQQGTHSA-N 1 0 367.450 2.778 20 5 FFBDRO CCC1([NH+](C)C)CCN(c2ccc([N+](=O)[O-])cc2N2CCOC2=O)CC1 ZINC000866060001 1010919221 /nfs/dbraw/zinc/91/92/21/1010919221.db2.gz YRIBOQRTGBVYEG-UHFFFAOYSA-N 1 0 362.430 2.862 20 5 FFBDRO COCCOc1ccc(C[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])cn1 ZINC000866236584 1010958393 /nfs/dbraw/zinc/95/83/93/1010958393.db2.gz ZEZUMRNTXOLRLX-ZDUSSCGKSA-N 1 0 363.389 2.875 20 5 FFBDRO C[NH2+]CCCNC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(OC)cc1 ZINC000121705935 1011075032 /nfs/dbraw/zinc/07/50/32/1011075032.db2.gz KQCWDADYLDUQDD-UHFFFAOYSA-N 1 0 359.382 2.735 20 5 FFBDRO C[N@@H+]1CC[C@H]2CN(C(=O)NCCCCc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000868309205 1011239726 /nfs/dbraw/zinc/23/97/26/1011239726.db2.gz GWNGTNSAJGSUQM-FUHWJXTLSA-N 1 0 360.458 2.653 20 5 FFBDRO O=C(C1CCC1)N1CC[C@H]([NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172904624 1012078594 /nfs/dbraw/zinc/07/85/94/1012078594.db2.gz OOMXKQBWPCOSGY-MSOLQXFVSA-N 1 0 357.454 2.833 20 5 FFBDRO Cc1ccn2c(c1)nnc2C[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172896413 1012097124 /nfs/dbraw/zinc/09/71/24/1012097124.db2.gz PGWPHUTWWXHTMJ-MRXNPFEDSA-N 1 0 351.410 2.983 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CC[C@@H](Oc3ncccn3)C1)CC2 ZINC001172914094 1012097711 /nfs/dbraw/zinc/09/77/11/1012097711.db2.gz ZBJPWDCENSRFSD-SJLPKXTDSA-N 1 0 354.410 2.786 20 5 FFBDRO [NH2+]=C(N[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1)n1nnc2ccccc21 ZINC001172910099 1012123153 /nfs/dbraw/zinc/12/31/53/1012123153.db2.gz XBAAOXMKYYBLNP-AWEZNQCLSA-N 1 0 350.382 2.660 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(N2CCC([N@@H+]3CC[C@H]4OCC[C@H]4C3)CC2)c(F)c1 ZINC001173015437 1012187034 /nfs/dbraw/zinc/18/70/34/1012187034.db2.gz QCNRIJFFDAAGMO-YVEFUNNKSA-N 1 0 367.396 2.953 20 5 FFBDRO C[N@H+](C1CCOCC1)C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173014972 1012187581 /nfs/dbraw/zinc/18/75/81/1012187581.db2.gz YDOFLXZKSNHSMT-UHFFFAOYSA-N 1 0 355.385 2.953 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C[C@H](O)c2ccc(O)cc2)c1F ZINC001173178954 1012321221 /nfs/dbraw/zinc/32/12/21/1012321221.db2.gz NRASWKKLDXPWBJ-BZNIZROVSA-N 1 0 364.373 2.702 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CCC[C@](O)(CF)CC2)c1F ZINC001173180162 1012323702 /nfs/dbraw/zinc/32/37/02/1012323702.db2.gz ITYXVFXDQMKBII-YVEFUNNKSA-N 1 0 358.385 2.860 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]Cc2ccc(C(N)=O)cc2)c1F ZINC001173180093 1012323863 /nfs/dbraw/zinc/32/38/63/1012323863.db2.gz TVCUJBWSSUHGCP-LLVKDONJSA-N 1 0 361.373 2.562 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@@H]2C(=O)NCc3ccccc32)c1F ZINC001173193184 1012333998 /nfs/dbraw/zinc/33/39/98/1012333998.db2.gz SWRZVPKVIRULDP-VOJFVSQTSA-N 1 0 373.384 2.634 20 5 FFBDRO COc1ccc(CC[NH2+][C@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])nc1 ZINC001173192442 1012334260 /nfs/dbraw/zinc/33/42/60/1012334260.db2.gz PZQZVRBWPIMZHG-GFCCVEGCSA-N 1 0 363.389 2.909 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2C[C@@H]3CCC[N@H+](C)[C@@H]3C2)c1F ZINC001173192821 1012334280 /nfs/dbraw/zinc/33/42/80/1012334280.db2.gz NAZMMBDPILMNID-HEHGZKQESA-N 1 0 351.422 2.700 20 5 FFBDRO COC(=O)[C@@H]1CCC[N@@H+]([C@@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])CC1 ZINC001173192001 1012334345 /nfs/dbraw/zinc/33/43/45/1012334345.db2.gz HELPPXYIOMMGFX-QWHCGFSZSA-N 1 0 368.405 2.949 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@@H]2C(=O)NCc3ccccc32)c1F ZINC001173193185 1012335657 /nfs/dbraw/zinc/33/56/57/1012335657.db2.gz SWRZVPKVIRULDP-ZMZPIMSZSA-N 1 0 373.384 2.634 20 5 FFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCc1ccc(S(C)(=O)=O)cc1 ZINC001173215362 1012349314 /nfs/dbraw/zinc/34/93/14/1012349314.db2.gz VKVWPQAUYJFRKF-CQSZACIVSA-N 1 0 362.451 2.762 20 5 FFBDRO CCOC(=O)[C@@]12CCO[C@@H]1CC[N@@H+]([C@@H](C)Cc1ccc([N+](=O)[O-])cc1)C2 ZINC001173221867 1012352516 /nfs/dbraw/zinc/35/25/16/1012352516.db2.gz MYGPBFXLOAQLQF-POZUXBRTSA-N 1 0 362.426 2.570 20 5 FFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccnc(N2CCCNC2=O)c1 ZINC001173224632 1012358961 /nfs/dbraw/zinc/35/89/61/1012358961.db2.gz OCHWOGHAVSFGSO-CQSZACIVSA-N 1 0 369.425 2.630 20 5 FFBDRO COc1cnc(OC2CC[NH+]([C@H](C)Cc3ccc([N+](=O)[O-])cc3)CC2)nc1 ZINC001173236892 1012383154 /nfs/dbraw/zinc/38/31/54/1012383154.db2.gz FWDIKRDGDYRELV-CQSZACIVSA-N 1 0 372.425 2.868 20 5 FFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(Oc2ncc(F)cn2)CC1 ZINC001173238343 1012386141 /nfs/dbraw/zinc/38/61/41/1012386141.db2.gz QDGBCIAXCZUZIL-ZDUSSCGKSA-N 1 0 360.389 2.998 20 5 FFBDRO C[C@@](N)(C(=O)N1CCO[C@](C)(c2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000870905686 1012627708 /nfs/dbraw/zinc/62/77/08/1012627708.db2.gz BWARNVHEVVKUDY-PMACEKPBSA-N 1 0 369.421 2.543 20 5 FFBDRO O=[N+]([O-])c1ccc2cnn(CN3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)c2c1 ZINC000252692208 1012628653 /nfs/dbraw/zinc/62/86/53/1012628653.db2.gz RHQVSPLPRGBJER-MAUKXSAKSA-N 1 0 355.442 2.851 20 5 FFBDRO Cc1cc(N2CC[C@H](CN3CCOC3=O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000828273441 1032645458 /nfs/dbraw/zinc/64/54/58/1032645458.db2.gz KUOCGSLPWJVHQT-ZDUSSCGKSA-N 1 0 356.382 2.730 20 5 FFBDRO COc1cc(CN2CC[C@]3(CCC[NH2+]3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000415132219 1012635384 /nfs/dbraw/zinc/63/53/84/1012635384.db2.gz AMQFOAWUFQQIRW-QGZVFWFLSA-N 1 0 371.384 2.575 20 5 FFBDRO C[NH+](C)CCOc1ccc(/C=C\C(=O)OCc2cccnc2[N+](=O)[O-])cc1 ZINC000924185887 1017177840 /nfs/dbraw/zinc/17/78/40/1017177840.db2.gz LVBOZMJIHVCLBM-YFHOEESVSA-N 1 0 371.393 2.687 20 5 FFBDRO CC(C)C[C@@H]1CCC[N@@H+]1CN1C(=O)N[C@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000748791890 1017654146 /nfs/dbraw/zinc/65/41/46/1017654146.db2.gz JNHUEIIWJJQIRR-QFBILLFUSA-N 1 0 374.441 2.830 20 5 FFBDRO O=[N+]([O-])c1ccccc1C[C@@H](N[C@@H]1C[NH2+]CC2(CCOCC2)C1)C1CC1 ZINC000925798143 1017852318 /nfs/dbraw/zinc/85/23/18/1017852318.db2.gz QRILWMIIILJEPR-ZWKOTPCHSA-N 1 0 359.470 2.664 20 5 FFBDRO NC(=O)C1(c2ccccc2)CC[NH+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000801517974 1019065637 /nfs/dbraw/zinc/06/56/37/1019065637.db2.gz ZTXDYUOUYMKWLX-UHFFFAOYSA-N 1 0 357.385 2.753 20 5 FFBDRO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@](CO)(c3ccccc3)C2)c1 ZINC000801578507 1019133239 /nfs/dbraw/zinc/13/32/39/1019133239.db2.gz HHCDOGBQYHRRNV-FQEVSTJZSA-N 1 0 356.422 3.000 20 5 FFBDRO Cc1c(CC(=O)N[C@@H](CC[NH+](C)C)c2cccnc2)cccc1[N+](=O)[O-] ZINC000928837187 1019153008 /nfs/dbraw/zinc/15/30/08/1019153008.db2.gz PMVQRWKBNDZRNW-KRWDZBQOSA-N 1 0 356.426 2.650 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000929093085 1019270167 /nfs/dbraw/zinc/27/01/67/1019270167.db2.gz YPQMYWPPXTXSDK-AWEZNQCLSA-N 1 0 362.430 2.799 20 5 FFBDRO O=[N+]([O-])c1ccc(OCCC[NH+]2CCC(O)(Cc3ccccn3)CC2)cc1 ZINC000930982859 1020266741 /nfs/dbraw/zinc/26/67/41/1020266741.db2.gz SHUHSMLMFSEEJN-UHFFFAOYSA-N 1 0 371.437 2.828 20 5 FFBDRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001048525051 1020275445 /nfs/dbraw/zinc/27/54/45/1020275445.db2.gz IOBCSDZYZWCUDL-RHQZKXFESA-N 1 0 363.502 2.981 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2cnn(CN3CCC[C@H]3C[NH+]3CCCC3)c2)c1 ZINC000777955747 1020314844 /nfs/dbraw/zinc/31/48/44/1020314844.db2.gz RWPQJJADTJTVGS-IBGZPJMESA-N 1 0 355.442 2.976 20 5 FFBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000777963458 1020332847 /nfs/dbraw/zinc/33/28/47/1020332847.db2.gz LRKRULMXVJTOFP-QFBILLFUSA-N 1 0 355.442 2.832 20 5 FFBDRO C[N@H+](CC1CCCCC1)CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000726585243 1020488304 /nfs/dbraw/zinc/48/83/04/1020488304.db2.gz XOGBJIXIUUTIAD-UHFFFAOYSA-N 1 0 360.414 2.833 20 5 FFBDRO O=C(Nc1ccn(-c2cc[nH+]cc2)n1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778000389 1020489121 /nfs/dbraw/zinc/48/91/21/1020489121.db2.gz OAHGTKMXNXIHLF-UHFFFAOYSA-N 1 0 359.292 2.906 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](OC[C@H]2C[C@H]3CC[NH2+]C[C@@H]3O2)C(F)(F)F)cc1 ZINC001217916651 1032905323 /nfs/dbraw/zinc/90/53/23/1032905323.db2.gz JSZYJDUHVYINQO-RZFFKMDDSA-N 1 0 360.332 2.982 20 5 FFBDRO O=[N+]([O-])c1cc(F)cc(Br)c1O[C@@H]1CCC[NH2+]C[C@@H]1F ZINC001217944826 1032912060 /nfs/dbraw/zinc/91/20/60/1032912060.db2.gz ATHMVBPDCMZRHY-GXSJLCMTSA-N 1 0 351.147 2.965 20 5 FFBDRO O=[N+]([O-])c1cc(F)cc(Br)c1O[C@H]1CCC[NH2+]C[C@@H]1F ZINC001217944830 1032912091 /nfs/dbraw/zinc/91/20/91/1032912091.db2.gz ATHMVBPDCMZRHY-ONGXEEELSA-N 1 0 351.147 2.965 20 5 FFBDRO O=[N+]([O-])c1cc(Br)c(F)cc1O[C@@H]1CCC[NH2+]C[C@@H]1F ZINC001217947414 1032914206 /nfs/dbraw/zinc/91/42/06/1032914206.db2.gz RIUAOTCROBYNFI-GXSJLCMTSA-N 1 0 351.147 2.965 20 5 FFBDRO COc1cc([C@H](C)[NH2+]C2CCN(C[C@@H]3CCCO3)CC2)cc([N+](=O)[O-])c1 ZINC000903096360 1020674307 /nfs/dbraw/zinc/67/43/07/1020674307.db2.gz BSSKFJZWTWLEJT-KSSFIOAISA-N 1 0 363.458 2.897 20 5 FFBDRO O=[N+]([O-])c1cc(O[C@H]2CCCC[NH2+]C2)ccc1I ZINC001217976565 1032928983 /nfs/dbraw/zinc/92/89/83/1032928983.db2.gz XDEYTQDDBLESGF-JTQLQIEISA-N 1 0 362.167 2.720 20 5 FFBDRO COc1cc([C@H](C)[NH2+][C@H]2Cc3ccccc3N(C)C2=O)cc([N+](=O)[O-])c1 ZINC000903200720 1020736207 /nfs/dbraw/zinc/73/62/07/1020736207.db2.gz SNDBIKRPKVNXET-SJCJKPOMSA-N 1 0 355.394 2.842 20 5 FFBDRO CN(C(=O)CN1CCC[C@@H](Cc2nccs2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000932195677 1020739416 /nfs/dbraw/zinc/73/94/16/1020739416.db2.gz HLQXLQAAUWOOSP-AWEZNQCLSA-N 1 0 374.466 2.969 20 5 FFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]C[C@@]2(c3ccccc3)C[C@@H](O)C2)n1 ZINC000903271845 1020772186 /nfs/dbraw/zinc/77/21/86/1020772186.db2.gz PCERYSMJUJWLCC-JPLJXNOCSA-N 1 0 370.453 2.957 20 5 FFBDRO O=[N+]([O-])c1ccc(F)c(Br)c1O[C@@H]1C[NH2+]CCC[C@H]1F ZINC001217984412 1032933189 /nfs/dbraw/zinc/93/31/89/1032933189.db2.gz ZPOLHEFXHHCDDE-GMSGAONNSA-N 1 0 351.147 2.965 20 5 FFBDRO C[C@H]1C[NH2+]CCC[C@H]1Oc1cc(O)cc2oc3c(O)ccc(O)c3c(=O)c12 ZINC001217995924 1032940818 /nfs/dbraw/zinc/94/08/18/1032940818.db2.gz ZPLNITLTBOVDJL-IINYFYTJSA-N 1 0 371.389 2.830 20 5 FFBDRO C[C@@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)N1CCc2ccccc2C1 ZINC000749675384 1021018854 /nfs/dbraw/zinc/01/88/54/1021018854.db2.gz YWDRWNSCRDPUIS-YWZLYKJASA-N 1 0 355.438 2.665 20 5 FFBDRO C[C@@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccc2c(c1)CCO2 ZINC000933488512 1021021916 /nfs/dbraw/zinc/02/19/16/1021021916.db2.gz MEMBKXDHYITTRN-CJNGLKHVSA-N 1 0 358.394 2.620 20 5 FFBDRO COCC[N@H+](CCc1ccccc1)Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC000749942863 1021152687 /nfs/dbraw/zinc/15/26/87/1021152687.db2.gz CGDAXLVHTUNQSW-UHFFFAOYSA-N 1 0 369.425 2.797 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CCc1c(F)cccc1Cl ZINC001118149718 1022092690 /nfs/dbraw/zinc/09/26/90/1022092690.db2.gz NETCZGWTWCPANT-GFCCVEGCSA-N 1 0 368.792 2.959 20 5 FFBDRO CCC1([NH3+])CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC001119315015 1022676072 /nfs/dbraw/zinc/67/60/72/1022676072.db2.gz BPWMYZVBQMVCIP-UHFFFAOYSA-N 1 0 356.220 2.701 20 5 FFBDRO CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000829280529 1033077531 /nfs/dbraw/zinc/07/75/31/1033077531.db2.gz LUOQGOJBGNSTME-UHFFFAOYSA-N 1 0 373.409 2.525 20 5 FFBDRO CCc1ccccc1C[NH+]1CCC2(CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 ZINC001040699298 1022954897 /nfs/dbraw/zinc/95/48/97/1022954897.db2.gz BLSGNEAULLXIID-RTBURBONSA-N 1 0 371.481 2.729 20 5 FFBDRO [NH3+][C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC[C@@H]1C(F)(F)F ZINC001122242655 1023138962 /nfs/dbraw/zinc/13/89/62/1023138962.db2.gz LOLKJDQKSWUXDQ-CMPLNLGQSA-N 1 0 365.739 2.529 20 5 FFBDRO CCC(=O)[C@H]1C[C@@H](Oc2c([N+](=O)[O-])cc(C(C)(C)C)cc2[N+](=O)[O-])C[NH2+]1 ZINC001218328510 1033108468 /nfs/dbraw/zinc/10/84/68/1033108468.db2.gz SQXHKSXZSCIJHI-VXGBXAGGSA-N 1 0 365.386 2.889 20 5 FFBDRO CN(CC1CC[NH2+]CC1)C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC001122563773 1023340889 /nfs/dbraw/zinc/34/08/89/1023340889.db2.gz FPMUJUCXVRKHLG-UHFFFAOYSA-N 1 0 374.210 2.568 20 5 FFBDRO CC(=O)c1ccc(N2CCC(C[N@@H+](CCO)C(C)C)CC2)c([N+](=O)[O-])c1 ZINC001120960746 1023545446 /nfs/dbraw/zinc/54/54/46/1023545446.db2.gz XEQBAZMLWKFENN-UHFFFAOYSA-N 1 0 363.458 2.717 20 5 FFBDRO CCOc1cc(C[NH+]2CCC(C(=O)NCC(C)C)CC2)ccc1[N+](=O)[O-] ZINC000754981873 1023549782 /nfs/dbraw/zinc/54/97/82/1023549782.db2.gz ZGRAWAGKNVWIMQ-UHFFFAOYSA-N 1 0 363.458 2.978 20 5 FFBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)c3ccccc3F)c2)CC1 ZINC001121252484 1023671464 /nfs/dbraw/zinc/67/14/64/1023671464.db2.gz KPVSUOZKJPSODP-UHFFFAOYSA-N 1 0 358.373 2.738 20 5 FFBDRO CCc1cncc(C(=O)Nc2cc(N3CC[NH+](C)CC3)ccc2[N+](=O)[O-])c1 ZINC001121253377 1023671499 /nfs/dbraw/zinc/67/14/99/1023671499.db2.gz WNILONMOWMKGLZ-UHFFFAOYSA-N 1 0 369.425 2.556 20 5 FFBDRO O=[N+]([O-])c1cc(F)cc(Br)c1O[C@@H]1C[NH2+]CCC1(F)F ZINC001218452685 1033162830 /nfs/dbraw/zinc/16/28/30/1033162830.db2.gz DGFVUJZTVDITMY-SECBINFHSA-N 1 0 355.110 2.872 20 5 FFBDRO O=[N+]([O-])c1cc(I)ccc1O[C@@H]1CC[C@H]2C[NH2+]C[C@H]21 ZINC001218458382 1033165555 /nfs/dbraw/zinc/16/55/55/1033165555.db2.gz AQDBZOJLBLLRDB-MKPLZMMCSA-N 1 0 374.178 2.576 20 5 FFBDRO O=C(C[NH2+][C@@H]1CCO[C@H]1c1ccccc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000191974034 1023943129 /nfs/dbraw/zinc/94/31/29/1023943129.db2.gz ORHYYISJJRHLSH-XLIONFOSSA-N 1 0 367.405 2.604 20 5 FFBDRO [NH3+]C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC[C@@H]1C(F)(F)F ZINC001122089447 1024332692 /nfs/dbraw/zinc/33/26/92/1024332692.db2.gz VRFUODSDYCRMPJ-NGFQHRJXSA-N 1 0 371.359 2.684 20 5 FFBDRO O=C(COc1cccc([N+](=O)[O-])c1)N1C[C@@H]2CCC[N@@H+]2Cc2ccccc21 ZINC001125161740 1024421053 /nfs/dbraw/zinc/42/10/53/1024421053.db2.gz GCHLMNHGSFYHAY-KRWDZBQOSA-N 1 0 367.405 2.985 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)Cc1c(C)noc1C ZINC000080722268 1024709856 /nfs/dbraw/zinc/70/98/56/1024709856.db2.gz BGUYXWAGLRJDHP-UHFFFAOYSA-N 1 0 362.386 2.669 20 5 FFBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000194740304 1024885930 /nfs/dbraw/zinc/88/59/30/1024885930.db2.gz OYSHSVKINLJFPM-INIZCTEOSA-N 1 0 360.458 2.655 20 5 FFBDRO O=[N+]([O-])c1cnc(NC2CC[NH+](CC3CCOCC3)CC2)c(Cl)c1 ZINC001161213160 1026563690 /nfs/dbraw/zinc/56/36/90/1026563690.db2.gz RHJAKQSMUSLEDG-UHFFFAOYSA-N 1 0 354.838 2.946 20 5 FFBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)OCc1cccc(C[NH+]2CCCCC2)c1 ZINC000840404680 1027071962 /nfs/dbraw/zinc/07/19/62/1027071962.db2.gz CGIKXCUMHPEFKA-UHFFFAOYSA-N 1 0 370.409 2.915 20 5 FFBDRO CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNc2ccc3ccc4cccnc4c3n2)O1 ZINC001159239159 1027320299 /nfs/dbraw/zinc/32/02/99/1027320299.db2.gz XUJYZAFXBJLTEK-JXXFODFXSA-N 1 0 352.438 2.920 20 5 FFBDRO O=C(NCCC1=CC[N@H+](Cc2ccc(C3CC3)cc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001160106734 1027593440 /nfs/dbraw/zinc/59/34/40/1027593440.db2.gz AAZXUVFZKZCEAO-WOJBJXKFSA-N 1 0 369.465 2.868 20 5 FFBDRO COC(=O)c1cnc(NCC2CC[NH+](CC3CCC3)CC2)c([N+](=O)[O-])c1 ZINC001161233262 1028084119 /nfs/dbraw/zinc/08/41/19/1028084119.db2.gz LXLDJLBOLLUDEU-UHFFFAOYSA-N 1 0 362.430 2.700 20 5 FFBDRO Cc1c(C(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000249752076 1028295398 /nfs/dbraw/zinc/29/53/98/1028295398.db2.gz RMCCUNUMVXLOET-VXGBXAGGSA-N 1 0 364.402 2.662 20 5 FFBDRO COc1cccc(C2(Nc3nc(Cl)ncc3[N+](=O)[O-])CC[NH2+]CC2)c1 ZINC001161992460 1028386673 /nfs/dbraw/zinc/38/66/73/1028386673.db2.gz UFPLNMDBTHXLMW-UHFFFAOYSA-N 1 0 363.805 2.738 20 5 FFBDRO COc1cccc(CC2([NH3+])CCN(c3nccc(C)c3[N+](=O)[O-])CC2)c1 ZINC001162045259 1028413401 /nfs/dbraw/zinc/41/34/01/1028413401.db2.gz FSJUIQIWCIIWOO-UHFFFAOYSA-N 1 0 356.426 2.847 20 5 FFBDRO O=[N+]([O-])c1ccc2nc(N3CC[N@@H+]4CCc5ccccc5[C@H]4C3)cnc2c1 ZINC001155091026 1028575123 /nfs/dbraw/zinc/57/51/23/1028575123.db2.gz ICCDEQCWROTWFE-LJQANCHMSA-N 1 0 361.405 2.957 20 5 FFBDRO CCOc1cc([N+](=O)[O-])ccc1N[C@@H]1C[NH2+]CCC1(OCC)OCC ZINC001162733547 1028638045 /nfs/dbraw/zinc/63/80/45/1028638045.db2.gz OHNRKJAFCSOFKO-MRXNPFEDSA-N 1 0 353.419 2.537 20 5 FFBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(-n2ccc3cc([C@@H](C)[NH3+])ccc32)n1 ZINC001155346079 1028686092 /nfs/dbraw/zinc/68/60/92/1028686092.db2.gz GOIBCPWOEKVGPN-SECBINFHSA-N 1 0 354.370 2.615 20 5 FFBDRO CCCC(C[NH3+])(CCC)Nc1nc(Cl)nc(C(=O)OCC)c1[N+](=O)[O-] ZINC001163035555 1028768563 /nfs/dbraw/zinc/76/85/63/1028768563.db2.gz NGJGZJPAZWWYIB-UHFFFAOYSA-N 1 0 373.841 2.925 20 5 FFBDRO [NH3+]C[C@@H](CO)c1ccc(Nc2cc3ncnc(Cl)c3cc2[N+](=O)[O-])cc1 ZINC001163053633 1028776117 /nfs/dbraw/zinc/77/61/17/1028776117.db2.gz SUXBRPINPSAMAX-NSHDSACASA-N 1 0 373.800 2.970 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)c(F)cnc2NC[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001163278875 1028871376 /nfs/dbraw/zinc/87/13/76/1028871376.db2.gz KZBGCWMRNOKWSN-SGTLLEGYSA-N 1 0 360.389 2.853 20 5 FFBDRO COc1cccc([C@H](C[NH3+])NC(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)c1 ZINC001163303107 1028882559 /nfs/dbraw/zinc/88/25/59/1028882559.db2.gz GYGVJEWTAQSAAF-LBPRGKRZSA-N 1 0 372.759 2.991 20 5 FFBDRO [NH3+]Cc1cc2cc(Cl)ccc2n1-c1c(Cl)[n+]([O-])ccc1[N+](=O)[O-] ZINC001155993213 1029003900 /nfs/dbraw/zinc/00/39/00/1029003900.db2.gz AHLNSTZCYPJURK-UHFFFAOYSA-N 1 0 353.165 2.938 20 5 FFBDRO CCN(c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1)[C@@H](C)Cc1ccc(OC)cc1 ZINC001163833545 1029082545 /nfs/dbraw/zinc/08/25/45/1029082545.db2.gz CAYNXKCPPVYSOF-ZDUSSCGKSA-N 1 0 371.441 2.538 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])ncc1-n1c(C[NH3+])cc2cc(Cl)ccc21 ZINC001163903415 1029109943 /nfs/dbraw/zinc/10/99/43/1029109943.db2.gz UVYGOQVGRAOEAK-UHFFFAOYSA-N 1 0 360.757 2.832 20 5 FFBDRO CC(C)Oc1nc(N2CCCN(c3cc[nH+]cc3)CC2)ccc1[N+](=O)[O-] ZINC001163952539 1029125184 /nfs/dbraw/zinc/12/51/84/1029125184.db2.gz JEAVDDXWWAYURI-UHFFFAOYSA-N 1 0 357.414 2.889 20 5 FFBDRO O=[N+]([O-])c1cc[n+]([O-])c(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC001156315423 1029140730 /nfs/dbraw/zinc/14/07/30/1029140730.db2.gz NXTNGQSYPIWZKE-CGTJXYLNSA-N 1 0 354.410 2.551 20 5 FFBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC001156318186 1029143783 /nfs/dbraw/zinc/14/37/83/1029143783.db2.gz QBMZISQPEFCCKX-KZNAEPCWSA-N 1 0 368.437 2.859 20 5 FFBDRO Cc1cc(N2CCN(c3ccc([N+](=O)[O-])c(N)n3)CC2)c2ccccc2[nH+]1 ZINC001164199477 1029198996 /nfs/dbraw/zinc/19/89/96/1029198996.db2.gz UESWZQWOBGMPEI-UHFFFAOYSA-N 1 0 364.409 2.755 20 5 FFBDRO COc1nc(C)c([N+](=O)[O-])c(NC[C@H](c2ccccc2)[NH+]2CCCC2)n1 ZINC001156529873 1029233657 /nfs/dbraw/zinc/23/36/57/1029233657.db2.gz HIWXKOURVBATMP-OAHLLOKOSA-N 1 0 357.414 2.951 20 5 FFBDRO COc1nc(N2C[C@H]3[C@@H](CC[N@@H+]3Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC001165090376 1029379996 /nfs/dbraw/zinc/37/99/96/1029379996.db2.gz YTJKYOBRZMZPII-RDJZCZTQSA-N 1 0 354.410 2.709 20 5 FFBDRO CC[N@H+]([C@H]1CCOC1)C1CCN(c2nccc(Cl)c2[N+](=O)[O-])CC1 ZINC001165109742 1029396765 /nfs/dbraw/zinc/39/67/65/1029396765.db2.gz VODMXHLWUARQNZ-ZDUSSCGKSA-N 1 0 354.838 2.723 20 5 FFBDRO CN(C)/C=C/c1cc(-n2cc(CC[NH3+])c3cc(O)ccc32)ncc1[N+](=O)[O-] ZINC001157220933 1029509509 /nfs/dbraw/zinc/50/95/09/1029509509.db2.gz SEPOUUWPQVJWMO-SOFGYWHQSA-N 1 0 367.409 2.673 20 5 FFBDRO Cc1cc(N2C[C@H]3CCC[N@@H+](C)[C@@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001157270516 1029530837 /nfs/dbraw/zinc/53/08/37/1029530837.db2.gz FQNLTHLAWWVORS-NVXWUHKLSA-N 1 0 353.426 2.891 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@H](CO)c2ccc(C(F)(F)F)cc2)cc1 ZINC000782091605 1029566133 /nfs/dbraw/zinc/56/61/33/1029566133.db2.gz PGDJGRHVCUIXAR-CVEARBPZSA-N 1 0 370.327 2.970 20 5 FFBDRO Cc1ccc(-c2ccc(N(CC[NH3+])c3cccnc3)nn2)cc1[N+](=O)[O-] ZINC001158000813 1029705787 /nfs/dbraw/zinc/70/57/87/1029705787.db2.gz HDOVBOTWKVVDQN-UHFFFAOYSA-N 1 0 350.382 2.852 20 5 FFBDRO COc1cccc(N(c2cc([N+](=O)[O-])cc(Cl)n2)C2CC[NH2+]CC2)n1 ZINC001158053644 1029720077 /nfs/dbraw/zinc/72/00/77/1029720077.db2.gz DKYUQSFMWDJWEA-UHFFFAOYSA-N 1 0 363.805 2.937 20 5 FFBDRO COc1ccnc(N(c2cc(Cl)cc([N+](=O)[O-])n2)C2CC[NH2+]CC2)c1 ZINC001158320175 1029796723 /nfs/dbraw/zinc/79/67/23/1029796723.db2.gz IGALIBMJSLHKEM-UHFFFAOYSA-N 1 0 363.805 2.937 20 5 FFBDRO Cc1ccc([C@H](C)[NH2+]CC(C)(C)[C@H]2COCC23OCCO3)cc1[N+](=O)[O-] ZINC000840800580 1029886053 /nfs/dbraw/zinc/88/60/53/1029886053.db2.gz FKVZNYBXGIVJLX-WMLDXEAASA-N 1 0 364.442 2.970 20 5 FFBDRO Cc1ccc(-c2ccc(N3CCC(C4C[NH2+]C4)CC3)nn2)cc1[N+](=O)[O-] ZINC001165409380 1029970537 /nfs/dbraw/zinc/97/05/37/1029970537.db2.gz GQZWDNZDINFZKN-UHFFFAOYSA-N 1 0 353.426 2.796 20 5 FFBDRO Cc1cccc(N(c2ccc([N+](=O)[O-])c(N)n2)[C@@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC001165771793 1030118834 /nfs/dbraw/zinc/11/88/34/1030118834.db2.gz FJGKFCXCQQKZQG-HNAYVOBHSA-N 1 0 369.425 2.540 20 5 FFBDRO Cc1nc(N2CCCn3cnc(C[NH2+]C4CCC4)c3C2)ccc1[N+](=O)[O-] ZINC001165909107 1030166132 /nfs/dbraw/zinc/16/61/32/1030166132.db2.gz ZUKOPPSTWQHAPO-UHFFFAOYSA-N 1 0 356.430 2.547 20 5 FFBDRO Cc1c(C)c(N2CCCn3cnc(C[NH2+]C4CCC4)c3C2)ncc1[N+](=O)[O-] ZINC001165911459 1030168649 /nfs/dbraw/zinc/16/86/49/1030168649.db2.gz VHQGCNBAPZHGQE-UHFFFAOYSA-N 1 0 370.457 2.856 20 5 FFBDRO CC(C)(C)OC(=O)NC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000697042787 1030189943 /nfs/dbraw/zinc/18/99/43/1030189943.db2.gz QFLJQZJFUYQWOX-UHFFFAOYSA-N 1 0 365.430 2.758 20 5 FFBDRO C/C(=C/C(=O)N1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000784082314 1030457882 /nfs/dbraw/zinc/45/78/82/1030457882.db2.gz HOMHOLSKAZKLEO-PLDZHTBSSA-N 1 0 373.453 2.708 20 5 FFBDRO O=[N+]([O-])c1ccc2c(ccnc2-n2ncc3cc(N4CC[NH2+]CC4)ccc32)c1 ZINC001167019560 1030613824 /nfs/dbraw/zinc/61/38/24/1030613824.db2.gz CBFRGUBEHDYQEU-UHFFFAOYSA-N 1 0 374.404 2.892 20 5 FFBDRO CC(C)(C)[C@H]1CC[N@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000784513614 1030658119 /nfs/dbraw/zinc/65/81/19/1030658119.db2.gz DDZYBDXMQZMUAH-INIZCTEOSA-N 1 0 374.485 2.611 20 5 FFBDRO O=C1CN(C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000842617359 1030828944 /nfs/dbraw/zinc/82/89/44/1030828944.db2.gz QTAMDODYNQECMD-BBRMVZONSA-N 1 0 358.398 2.585 20 5 FFBDRO COc1cc(C[NH2+]C[C@@H]2CCN2C)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC001203770956 1030878584 /nfs/dbraw/zinc/87/85/84/1030878584.db2.gz LNLFZKATNGWDGP-KRWDZBQOSA-N 1 0 371.437 2.976 20 5 FFBDRO NC(=O)CCC(=O)Nc1cc2oc3cc(=[NH2+])ccc-3nc2c2ccccc12 ZINC001142953283 1031094118 /nfs/dbraw/zinc/09/41/18/1031094118.db2.gz NKCNOOOIKVWSRA-UHFFFAOYSA-N 1 0 360.373 2.769 20 5 FFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@H](O)c2cccc(C(F)(F)F)c2)c1 ZINC000843073049 1031172222 /nfs/dbraw/zinc/17/22/22/1031172222.db2.gz MOOCIRHVROVIQT-HOTGVXAUSA-N 1 0 370.327 2.970 20 5 FFBDRO CC(C)Oc1ccc([C@@H](O)C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000843081220 1031176073 /nfs/dbraw/zinc/17/60/73/1031176073.db2.gz NSSQPDAQIFHUBU-MOPGFXCFSA-N 1 0 360.410 2.739 20 5 FFBDRO Cc1cc(C)cc([C@H](O)C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000843091383 1031180157 /nfs/dbraw/zinc/18/01/57/1031180157.db2.gz BRQGXUWMTRRNCQ-GOSISDBHSA-N 1 0 357.410 2.863 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@]2(CO)C[C@H]2c2ccc(F)cc2)c1 ZINC000843110879 1031187852 /nfs/dbraw/zinc/18/78/52/1031187852.db2.gz OWDDMMQIYDIROG-IPMKNSEASA-N 1 0 360.385 2.523 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(Cc2noc([C@H]3C[NH2+]Cc4ccccc43)n2)c1 ZINC000843222777 1031254486 /nfs/dbraw/zinc/25/44/86/1031254486.db2.gz JTUYRCLAQAZDHK-INIZCTEOSA-N 1 0 366.377 2.812 20 5 FFBDRO c1cnc2c(c1)ccc1ccc(-c3noc(C4CN([C@@H]5CC[NH2+]C5)C4)n3)nc12 ZINC001205258882 1031636023 /nfs/dbraw/zinc/63/60/23/1031636023.db2.gz COYOKZPGUYGZMV-MRXNPFEDSA-N 1 0 372.432 2.594 20 5 FFBDRO Cc1cc(C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCCCC2)cs1 ZINC001115530705 1031786539 /nfs/dbraw/zinc/78/65/39/1031786539.db2.gz MOPQLXMRKWLRNB-HUUCEWRRSA-N 1 0 351.472 2.630 20 5 FFBDRO C[C@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1ccc(N2CCNC2=O)cc1 ZINC000829730790 1033310383 /nfs/dbraw/zinc/31/03/83/1033310383.db2.gz KMUVUZMGULLQPR-AWEZNQCLSA-N 1 0 370.409 2.854 20 5 FFBDRO C[NH+]1CCC2(CC[C@@H](COCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])O2)CC1 ZINC001224094809 1033715048 /nfs/dbraw/zinc/71/50/48/1033715048.db2.gz FRCNDCFGIMIJST-HNNXBMFYSA-N 1 0 365.386 2.663 20 5 FFBDRO O=C(N[C@@]1(C(F)(F)F)CC[NH2+]C1)c1cccc2nc3ccccc3nc21 ZINC001219615597 1033716622 /nfs/dbraw/zinc/71/66/22/1033716622.db2.gz BRVSEBWGVHJKAF-KRWDZBQOSA-N 1 0 360.339 2.807 20 5 FFBDRO Cc1nonc1CNC(=O)[C@@H]([NH3+])Cc1c2ccccc2cc2ccccc21 ZINC001219948013 1033903248 /nfs/dbraw/zinc/90/32/48/1033903248.db2.gz IKWGLEFPBLAPJQ-IBGZPJMESA-N 1 0 360.417 2.871 20 5 FFBDRO O=[N+]([O-])c1ccc(OCCO[C@H]2CC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC001224777856 1034001610 /nfs/dbraw/zinc/00/16/10/1034001610.db2.gz HEUYOLAJWXYIII-WOVMCDHWSA-N 1 0 350.415 2.634 20 5 FFBDRO C[NH+]1CCC2(CC[C@@H](COCCOc3ccc([N+](=O)[O-])cc3)O2)CC1 ZINC001224777190 1034002494 /nfs/dbraw/zinc/00/24/94/1034002494.db2.gz NTQGHHNPWRPVFI-KRWDZBQOSA-N 1 0 350.415 2.634 20 5 FFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 ZINC000831563144 1034125716 /nfs/dbraw/zinc/12/57/16/1034125716.db2.gz KTBWLYMTUQILBV-XBFCOCLRSA-N 1 0 371.359 2.998 20 5 FFBDRO CC(C)[C@@H](CO)[C@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C(C)C ZINC000831663845 1034190863 /nfs/dbraw/zinc/19/08/63/1034190863.db2.gz KKQBXMKIVWQMMV-RDTXWAMCSA-N 1 0 369.437 2.941 20 5 FFBDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2Oc1ncc(Br)cc1[N+](=O)[O-] ZINC001225750604 1034395100 /nfs/dbraw/zinc/39/51/00/1034395100.db2.gz ONBIBQHOMOPXBJ-IWIIMEHWSA-N 1 0 356.220 2.861 20 5 FFBDRO COc1ccc(O[C@H]2COCC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001225773462 1034404754 /nfs/dbraw/zinc/40/47/54/1034404754.db2.gz WQXCNZARSJJISW-QGZVFWFLSA-N 1 0 358.394 2.883 20 5 FFBDRO COC(=O)[C@@H]1C[N@H+](Cc2ccc3ccc4cccnc4c3n2)CCCO1 ZINC001232229015 1035507353 /nfs/dbraw/zinc/50/73/53/1035507353.db2.gz XJLDTPBJLSRDAM-KRWDZBQOSA-N 1 0 351.406 2.547 20 5 FFBDRO C[C@H](C[N+](C)(C)C)Oc1ncc(I)c2ccncc21 ZINC001227781579 1035732368 /nfs/dbraw/zinc/73/23/68/1035732368.db2.gz LBVIQHGMEUTGIA-SNVBAGLBSA-N 1 0 372.230 2.708 20 5 FFBDRO COCCC[NH+]1CCC(Oc2c(C(C)=O)cc(C)cc2[N+](=O)[O-])CC1 ZINC001228451104 1036122248 /nfs/dbraw/zinc/12/22/48/1036122248.db2.gz RRFYWAAYOCNREN-UHFFFAOYSA-N 1 0 350.415 2.986 20 5 FFBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)NC[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC001203067778 1036177467 /nfs/dbraw/zinc/17/74/67/1036177467.db2.gz NKQWQZWPUKKNRV-OAHLLOKOSA-N 1 0 361.446 2.639 20 5 FFBDRO C[C@H](NC(=O)N1CCN(c2cc[nH+]cc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000836499970 1036596496 /nfs/dbraw/zinc/59/64/96/1036596496.db2.gz GKWJYVMXZMROET-AWEZNQCLSA-N 1 0 355.398 2.583 20 5 FFBDRO O=[N+]([O-])c1c[n+]([O-])ccc1O[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001229451112 1036682555 /nfs/dbraw/zinc/68/25/55/1036682555.db2.gz CLNDFBVGOXSLEW-BJWYYQGGSA-N 1 0 355.394 2.803 20 5 FFBDRO O=[N+]([O-])c1ccc(O[C@H]2COCC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC001233708645 1036725750 /nfs/dbraw/zinc/72/57/50/1036725750.db2.gz XPLUVRRMPBQNAI-MRXNPFEDSA-N 1 0 373.365 2.783 20 5 FFBDRO CC[N@@H+]1CC[C@@H](Oc2ccc(I)cc2[N+](=O)[O-])C1 ZINC001229939372 1036990595 /nfs/dbraw/zinc/99/05/95/1036990595.db2.gz BNPSHUBHWOSKDI-SNVBAGLBSA-N 1 0 362.167 2.672 20 5 FFBDRO CCOC(=O)Cc1ccc([N+](=O)[O-])c(OC2CCC([NH+](C)C)CC2)c1 ZINC001234411829 1037026064 /nfs/dbraw/zinc/02/60/64/1037026064.db2.gz WGVCOGZIMSDHBT-UHFFFAOYSA-N 1 0 350.415 2.952 20 5 FFBDRO COCC[NH+]1CCC(Oc2ncc(Br)c(C)c2[N+](=O)[O-])CC1 ZINC001230038704 1037049438 /nfs/dbraw/zinc/04/94/38/1037049438.db2.gz YESOXCZCNNVMBG-UHFFFAOYSA-N 1 0 374.235 2.550 20 5 FFBDRO C[C@@H](C[N+](C)(C)C)Oc1cnc(Cl)cc1I ZINC001234700204 1037147543 /nfs/dbraw/zinc/14/75/43/1037147543.db2.gz OOVOZNJNQNVQQC-QMMMGPOBSA-N 1 0 355.627 2.813 20 5 FFBDRO C[C@H](C[N+](C)(C)C)Oc1cc2c(cc1[C@@H]1c3ccccc3NC1=O)OCO2 ZINC001230430175 1037279984 /nfs/dbraw/zinc/27/99/84/1037279984.db2.gz DUZQTVKVJOJCOA-XCLFUZPHSA-O 1 0 369.441 2.973 20 5 FFBDRO Cc1cc(S(=O)(=O)NCC2([NH+](C)C)CCCCC2)c(F)cc1[N+](=O)[O-] ZINC001208023469 1037949475 /nfs/dbraw/zinc/94/94/75/1037949475.db2.gz ZFTXBURJBBDAOY-UHFFFAOYSA-N 1 0 373.450 2.585 20 5 FFBDRO Cc1cc(S(=O)(=O)NCC[NH+](C(C)C)C(C)C)c(C)cc1[N+](=O)[O-] ZINC001208040260 1037965870 /nfs/dbraw/zinc/96/58/70/1037965870.db2.gz FHNKLSJCQVEVJT-UHFFFAOYSA-N 1 0 357.476 2.609 20 5 FFBDRO CCCOCCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC001256087962 1038373172 /nfs/dbraw/zinc/37/31/72/1038373172.db2.gz SDXNSRQVMDWKLC-UHFFFAOYSA-N 1 0 351.447 2.979 20 5 FFBDRO C[C@H]1C[C@@H](NCCCNC(=O)c2c3ccccc3nc3ccccc32)C[NH2+]1 ZINC001246485969 1039368803 /nfs/dbraw/zinc/36/88/03/1039368803.db2.gz XDMIQLRENUWDEE-JKSUJKDBSA-N 1 0 362.477 2.848 20 5 FFBDRO C[C@@H]1CN(C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)C[C@@H](C)[NH2+]1 ZINC001246969526 1039554387 /nfs/dbraw/zinc/55/43/87/1039554387.db2.gz QHLXTTVQUBCCGQ-VXGBXAGGSA-N 1 0 354.401 2.524 20 5 FFBDRO c1cnc2c(c1)ccc1ccc(-c3noc([C@H]4C[C@@H]5C[NH2+]C[C@@H]5O4)n3)nc12 ZINC001247911422 1040041860 /nfs/dbraw/zinc/04/18/60/1040041860.db2.gz PADCQCBADIVOTP-BMFZPTHFSA-N 1 0 359.389 2.882 20 5 FFBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@@H]2C[C@H](Oc3ccccc3)C[NH2+]2)n1 ZINC001248099242 1040127279 /nfs/dbraw/zinc/12/72/79/1040127279.db2.gz ONSYWKLNXUXQJQ-STQMWFEESA-N 1 0 371.328 2.661 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C3CC(O)(C(F)(F)F)C3)CC2)cc1 ZINC001254466821 1040733219 /nfs/dbraw/zinc/73/32/19/1040733219.db2.gz OTRIRWPKEBBYAF-UHFFFAOYSA-N 1 0 359.348 2.609 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]Cc3cn(CC4CC4)cn3)CC2)cc1 ZINC001254470713 1040737663 /nfs/dbraw/zinc/73/76/63/1040737663.db2.gz QWMLMSSUXKBXLH-UHFFFAOYSA-N 1 0 355.442 2.960 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])n1cc(C[C@@H]([NH3+])C(N)=O)c2ccccc21 ZINC001254537392 1040786931 /nfs/dbraw/zinc/78/69/31/1040786931.db2.gz DFEPEAAVIPFHPU-SUMWQHHRSA-N 1 0 366.421 2.708 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCCCCN1C(=O)C=CC1=O ZINC001254537372 1040787748 /nfs/dbraw/zinc/78/77/48/1040787748.db2.gz DBCFQLCBDYTUHR-HNNXBMFYSA-N 1 0 359.426 2.601 20 5 FFBDRO CCOC(=O)C1(N[C@@H](C)Cc2ccccc2[N+](=O)[O-])CC[NH+](CC)CC1 ZINC001254549679 1040792500 /nfs/dbraw/zinc/79/25/00/1040792500.db2.gz XACONDCGOSPONJ-HNNXBMFYSA-N 1 0 363.458 2.533 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1C[C@H]2CN(C(=O)c3ccco3)C[C@H]2C1 ZINC001254555571 1040793982 /nfs/dbraw/zinc/79/39/82/1040793982.db2.gz HQWUWMNBOACOIZ-BHYGNILZSA-N 1 0 369.421 2.823 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H]2CCN(c3ncccn3)C[C@H]2C1 ZINC001254561448 1040799619 /nfs/dbraw/zinc/79/96/19/1040799619.db2.gz KXRQLXJMGYKZHG-NXHRZFHOSA-N 1 0 367.453 2.774 20 5 FFBDRO COc1ccnc(O[C@@H]2CCC[N@@H+]([C@@H](C)Cc3ccccc3[N+](=O)[O-])C2)n1 ZINC001254567330 1040804363 /nfs/dbraw/zinc/80/43/63/1040804363.db2.gz BPDGQZPBHQOSIN-GOEBONIOSA-N 1 0 372.425 2.868 20 5 FFBDRO CC(C)(C)C(=O)CN1CCC([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254587662 1040818580 /nfs/dbraw/zinc/81/85/80/1040818580.db2.gz YPTGMDXSFUPOMJ-KRWDZBQOSA-N 1 0 359.470 2.731 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH+]1C[C@H]3CN(Cc4ccccn4)C[C@@H]3C1)C2 ZINC001254596679 1040824942 /nfs/dbraw/zinc/82/49/42/1040824942.db2.gz QETVJCVPVMIFKN-DBXWQHBBSA-N 1 0 364.449 2.521 20 5 FFBDRO CCOCc1cnc2n1CCN([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)[C@@H]2C ZINC001254595654 1040825350 /nfs/dbraw/zinc/82/53/50/1040825350.db2.gz KLFKMXXMUXATJB-DYVFJYSZSA-N 1 0 356.426 2.872 20 5 FFBDRO COC(=O)c1ccc2c(c1)C[N@H+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)CC2 ZINC001254603011 1040832681 /nfs/dbraw/zinc/83/26/81/1040832681.db2.gz KEWJFWCNLPTEEC-IBGZPJMESA-N 1 0 352.390 2.907 20 5 FFBDRO Cc1cc(O[C@H]2CCC[N@@H+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)ncn1 ZINC001254610332 1040839239 /nfs/dbraw/zinc/83/92/39/1040839239.db2.gz JQOQRMZIKMLXIF-MSOLQXFVSA-N 1 0 354.410 2.704 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H](N(c1ncccc1F)C1CC[NH2+]CC1)C2 ZINC001254610540 1040840162 /nfs/dbraw/zinc/84/01/62/1040840162.db2.gz KOXZCBJTOSJADA-QGZVFWFLSA-N 1 0 356.401 2.855 20 5 FFBDRO Cc1cnc(OC2CC[NH+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC2)nc1 ZINC001254611994 1040841363 /nfs/dbraw/zinc/84/13/63/1040841363.db2.gz UHVSIZVGDNSJER-QGZVFWFLSA-N 1 0 354.410 2.704 20 5 FFBDRO CC[NH+](CC)CC[C@H](C)NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001214093598 1041234363 /nfs/dbraw/zinc/23/43/63/1041234363.db2.gz WOEBLZODHQOWRG-NSHDSACASA-N 1 0 363.867 2.647 20 5 FFBDRO O=C(c1ccccc1)N1CCC[C@@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001261436302 1041235078 /nfs/dbraw/zinc/23/50/78/1041235078.db2.gz XPTWITOZLATARZ-MJGOQNOKSA-N 1 0 369.421 2.523 20 5 FFBDRO O=[N+]([O-])c1c(N2CC[NH+](C3CCOCC3)CC2)cccc1C(F)(F)F ZINC001262061895 1041536898 /nfs/dbraw/zinc/53/68/98/1041536898.db2.gz LWBXPOSNMOQURO-UHFFFAOYSA-N 1 0 359.348 2.915 20 5 FFBDRO CSC1(CNC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)CC[NH+](C)CC1 ZINC001262081909 1041544387 /nfs/dbraw/zinc/54/43/87/1041544387.db2.gz KSQVLIRDOMSQSD-UHFFFAOYSA-N 1 0 356.423 2.683 20 5 FFBDRO C[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CC[C@H]1C[NH3+] ZINC001263213626 1042175933 /nfs/dbraw/zinc/17/59/33/1042175933.db2.gz APZQSVXUKBWVIB-BDAKNGLRSA-N 1 0 374.210 2.553 20 5 FFBDRO C[C@@H](CNC(=O)c1cccc2c1OCC[NH2+]C2)c1ccccc1[N+](=O)[O-] ZINC001263235963 1042190383 /nfs/dbraw/zinc/19/03/83/1042190383.db2.gz CHEZDJNWJRKGHH-ZDUSSCGKSA-N 1 0 355.394 2.610 20 5 FFBDRO CC[NH+]1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])cc(C)n3)cc2)CC1 ZINC001264226850 1042658260 /nfs/dbraw/zinc/65/82/60/1042658260.db2.gz VVTQISXBIABOON-UHFFFAOYSA-N 1 0 369.425 2.692 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC001265557690 1042866200 /nfs/dbraw/zinc/86/62/00/1042866200.db2.gz XVXVSJPCYYFBNB-KSSFIOAISA-N 1 0 368.437 2.939 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)n1 ZINC001539277588 1070603580 /nfs/dbraw/zinc/60/35/80/1070603580.db2.gz DWQJPXUGKGGRGH-OAHLLOKOSA-N 1 0 360.439 2.927 20 5 FFBDRO CC(C)(C)[NH+]1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC001319484221 1045167501 /nfs/dbraw/zinc/16/75/01/1045167501.db2.gz JVPHKSRNSIVDSV-UHFFFAOYSA-N 1 0 370.247 2.914 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@@H]1CC[C@@H](SC)C1 ZINC001319541072 1045188239 /nfs/dbraw/zinc/18/82/39/1045188239.db2.gz LTGIBLHBTVUFFE-DGCLKSJQSA-N 1 0 353.444 2.758 20 5 FFBDRO C[C@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC001539736330 1070690093 /nfs/dbraw/zinc/69/00/93/1070690093.db2.gz FAJOGNMFDFKJSX-UONOGXRCSA-N 1 0 367.421 2.834 20 5 FFBDRO C[N@@H+]1CC[C@@]2(CCN(Cc3ccc([N+](=O)[O-])cc3Br)C2)C1 ZINC001324370988 1045993500 /nfs/dbraw/zinc/99/35/00/1045993500.db2.gz PTEIRRGHEXUIKZ-OAHLLOKOSA-N 1 0 354.248 2.885 20 5 FFBDRO C[NH2+][C@H](C)CCNC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC001326367751 1046901214 /nfs/dbraw/zinc/90/12/14/1046901214.db2.gz GSIPGLKKYCYODA-ZIAGYGMSSA-N 1 0 371.441 2.891 20 5 FFBDRO CC[N@@H+]1CCC[C@@H](CN[C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC001327891850 1048084538 /nfs/dbraw/zinc/08/45/38/1048084538.db2.gz PFMQLQZQQWDLQM-MAUKXSAKSA-N 1 0 357.458 2.739 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(C[NH+]2CCC(O)(CO)CC2)o1 ZINC001328276778 1048246462 /nfs/dbraw/zinc/24/64/62/1048246462.db2.gz FVKIQIVBJUAFRN-UHFFFAOYSA-N 1 0 366.801 2.827 20 5 FFBDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001328430339 1048299353 /nfs/dbraw/zinc/29/93/53/1048299353.db2.gz YONKPGSABNULOI-OAHLLOKOSA-N 1 0 360.458 2.783 20 5 FFBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(Cn2cc(C[NH2+]CC3CC3)nn2)c1 ZINC001333537918 1048965085 /nfs/dbraw/zinc/96/50/85/1048965085.db2.gz PQEMHHHNSUADIV-UHFFFAOYSA-N 1 0 355.320 2.753 20 5 FFBDRO CC1(C)[C@@H]2[NH2+]CCC[C@@H]2[C@@H]1NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001333669717 1049042870 /nfs/dbraw/zinc/04/28/70/1049042870.db2.gz GIQVBXIUZVCNIL-BBWFWOEESA-N 1 0 357.454 2.909 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)c2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])[C@H](C)C1 ZINC001333706604 1049067941 /nfs/dbraw/zinc/06/79/41/1049067941.db2.gz KAQGKDNDLBUIAW-UKRRQHHQSA-N 1 0 358.442 2.613 20 5 FFBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@]2(CCN(c3ccncc3[N+](=O)[O-])C2)O1 ZINC001330829254 1049350862 /nfs/dbraw/zinc/35/08/62/1049350862.db2.gz JRXKTHHIRXNDMR-OXJNMPFZSA-N 1 0 368.437 2.860 20 5 FFBDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)c1[nH]nc([N+](=O)[O-])c1Cl)c1ccccc1 ZINC001292835595 1049410406 /nfs/dbraw/zinc/41/04/06/1049410406.db2.gz KLPSPFOIIBSHOW-SNVBAGLBSA-N 1 0 365.821 2.831 20 5 FFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@@]3(O)CCC[C@@H](C(F)(F)F)C3)C2)c1 ZINC001331075883 1049462932 /nfs/dbraw/zinc/46/29/32/1049462932.db2.gz YIRVAMILBCZIQX-MLCFOIATSA-N 1 0 362.352 2.568 20 5 FFBDRO CC(C)[N@@H+]1CCC[C@@H](NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC001296127554 1050027057 /nfs/dbraw/zinc/02/70/57/1050027057.db2.gz PXDUFTHJAOBMBH-QGZVFWFLSA-N 1 0 374.485 2.800 20 5 FFBDRO CSc1ccc(C(=O)N2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC001341713133 1050334603 /nfs/dbraw/zinc/33/46/03/1050334603.db2.gz XUGUDSYEKCGWJA-NXEZZACHSA-N 1 0 363.361 2.668 20 5 FFBDRO Cn1c(C(=O)N2CCc3c2cccc3[N+](=O)[O-])ccc1[C@@H]1CCCC[NH2+]1 ZINC001339939049 1050354390 /nfs/dbraw/zinc/35/43/90/1050354390.db2.gz LJBZHIZQIYALPS-AWEZNQCLSA-N 1 0 354.410 2.951 20 5 FFBDRO Cc1cc(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc([N+](=O)[O-])c1 ZINC001298366314 1050424616 /nfs/dbraw/zinc/42/46/16/1050424616.db2.gz HYEMNIFVENNPRN-BWTSREIZSA-N 1 0 351.406 2.763 20 5 FFBDRO O=C([C@@H]1CC[NH2+][C@@H]([C@H]2CCCO2)C1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001340321381 1050720573 /nfs/dbraw/zinc/72/05/73/1050720573.db2.gz XGNJSBIFESTHSK-LSBZLQRGSA-N 1 0 373.453 2.633 20 5 FFBDRO CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1Br)[C@@H]1CCC[NH2+]C1 ZINC001342279598 1050872658 /nfs/dbraw/zinc/87/26/58/1050872658.db2.gz VJTXIWPMOJEAAT-CYBMUJFWSA-N 1 0 370.247 2.500 20 5 FFBDRO O=C1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Br)CCCCCN1 ZINC001342351004 1050944546 /nfs/dbraw/zinc/94/45/46/1050944546.db2.gz YXIWEYSFNXPESD-UHFFFAOYSA-N 1 0 370.247 2.850 20 5 FFBDRO CCOc1ccccc1[C@H]([NH3+])CC(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC001340696301 1051062048 /nfs/dbraw/zinc/06/20/48/1051062048.db2.gz SMRUPTIYZKFMJK-OAHLLOKOSA-N 1 0 355.394 2.973 20 5 FFBDRO O=C(N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)[C@]12CC[NH2+][C@H]1CCCC2 ZINC001340728590 1051088092 /nfs/dbraw/zinc/08/80/92/1051088092.db2.gz UQMWHGAGWLDSJY-AZUAARDMSA-N 1 0 373.453 2.887 20 5 FFBDRO O=C(Nc1ccc2c(c1)OCC[NH2+]C2)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001340843143 1051181179 /nfs/dbraw/zinc/18/11/79/1051181179.db2.gz JZXXIHOMWQPNJS-IRXDYDNUSA-N 1 0 353.378 2.819 20 5 FFBDRO CC[C@@H]1CN(c2nnc([C@H](C)[N+](=O)[O-])n2CC)CC[N@@H+]1Cc1ccccc1 ZINC001341000716 1051335636 /nfs/dbraw/zinc/33/56/36/1051335636.db2.gz DEKJDMXFUGJNMI-DOTOQJQBSA-N 1 0 372.473 2.737 20 5 FFBDRO CC[C@H]1CN(c2nnc([C@@H](C)[N+](=O)[O-])n2CC)CC[N@@H+]1Cc1ccccc1 ZINC001341001128 1051337514 /nfs/dbraw/zinc/33/75/14/1051337514.db2.gz DEKJDMXFUGJNMI-WBVHZDCISA-N 1 0 372.473 2.737 20 5 FFBDRO O=C(c1csc([N+](=O)[O-])c1)N1C[C@H](C[C@H]2COCC[NH2+]2)c2ccccc21 ZINC001342758915 1051374995 /nfs/dbraw/zinc/37/49/95/1051374995.db2.gz SUPZEBQRSFFYGJ-JSGCOSHPSA-N 1 0 373.434 2.779 20 5 FFBDRO Cc1nnc(N2CCc3ccc([N+](=O)[O-])cc3C2)n1CCC[N@@H+](C)C(C)C ZINC001304832999 1051729099 /nfs/dbraw/zinc/72/90/99/1051729099.db2.gz OEVDSDBLOFVVRZ-UHFFFAOYSA-N 1 0 372.473 2.788 20 5 FFBDRO O=[N+]([O-])c1ccc2ncnc(N3CCCN(c4cc[nH+]cc4)CC3)c2c1 ZINC001343189494 1052042587 /nfs/dbraw/zinc/04/25/87/1052042587.db2.gz RLCMCZLQKZVUAE-UHFFFAOYSA-N 1 0 350.382 2.650 20 5 FFBDRO COc1ccc(NC(=O)N2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001345094956 1052254109 /nfs/dbraw/zinc/25/41/09/1052254109.db2.gz CSXJPHMHLIBUEC-MJBXVCDLSA-N 1 0 362.430 2.797 20 5 FFBDRO C[C@H]1CCC[C@H](C[N@H+](C)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001307851204 1052356976 /nfs/dbraw/zinc/35/69/76/1052356976.db2.gz MKCMRTSWOQVGEZ-GJZGRUSLSA-N 1 0 369.487 2.631 20 5 FFBDRO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC001307986405 1052376879 /nfs/dbraw/zinc/37/68/79/1052376879.db2.gz GGPADQXMNNINOX-KBPBESRZSA-N 1 0 365.430 2.961 20 5 FFBDRO COC(=O)CC[C@H]1CCC[N@H+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC001308052647 1052394768 /nfs/dbraw/zinc/39/47/68/1052394768.db2.gz URLYGRNCCUOXBR-CYBMUJFWSA-N 1 0 374.397 2.810 20 5 FFBDRO [NH3+]CC1(c2ccccc2)CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC001345347652 1052397440 /nfs/dbraw/zinc/39/74/40/1052397440.db2.gz JZQLULUWBUUJHV-UHFFFAOYSA-N 1 0 357.385 2.867 20 5 FFBDRO COc1cccc(N2CC[C@H]([NH2+]Cc3ccc(OC)c([N+](=O)[O-])c3)C2)c1 ZINC001308240525 1052435985 /nfs/dbraw/zinc/43/59/85/1052435985.db2.gz IDVXZAMHHQXHIP-HNNXBMFYSA-N 1 0 357.410 2.981 20 5 FFBDRO CN(CCc1cccc([N+](=O)[O-])c1)Cc1c(C(=O)OC(C)(C)C)cnn1C ZINC001308711704 1052489753 /nfs/dbraw/zinc/48/97/53/1052489753.db2.gz GZGCBXXODNOPGO-UHFFFAOYSA-N 1 0 374.441 2.958 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC001345560106 1052510019 /nfs/dbraw/zinc/51/00/19/1052510019.db2.gz MJEHUHPOZHKTRE-UZLBHIALSA-N 1 0 367.405 2.889 20 5 FFBDRO Cn1ccnc1[C@H](Cc1ccccc1)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001335413967 1053346170 /nfs/dbraw/zinc/34/61/70/1053346170.db2.gz UFSBUZCURSOZIP-RBUKOAKNSA-N 1 0 366.421 2.935 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)C[C@H]2C1 ZINC001336168762 1053809829 /nfs/dbraw/zinc/80/98/29/1053809829.db2.gz CRRXQTWYASRMML-CSQLCUNESA-N 1 0 357.454 2.887 20 5 FFBDRO CN1CC[C@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(F)cc1 ZINC001348950089 1055014439 /nfs/dbraw/zinc/01/44/39/1055014439.db2.gz BETUMQMXYFPRRB-FHWLQOOXSA-N 1 0 359.401 2.802 20 5 FFBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000847253515 1055319832 /nfs/dbraw/zinc/31/98/32/1055319832.db2.gz GUJLENLJUISXIK-KGLIPLIRSA-N 1 0 362.386 2.558 20 5 FFBDRO CC[NH+](CC)[C@@H](CNC(=O)c1[nH]nc([N+](=O)[O-])c1Cl)c1ccsc1 ZINC001543828180 1071553706 /nfs/dbraw/zinc/55/37/06/1071553706.db2.gz APQSBDQLBHCBDE-JTQLQIEISA-N 1 0 371.850 2.846 20 5 FFBDRO O=[N+]([O-])c1ccc(NCC[NH2+]C[C@@H](O)COc2cccc3[nH]ccc32)cc1 ZINC001356533658 1055560661 /nfs/dbraw/zinc/56/06/61/1055560661.db2.gz SLFLROZMUSDTIJ-MRXNPFEDSA-N 1 0 370.409 2.518 20 5 FFBDRO CC1(C)[C@@H]2[NH2+]CCC[C@H]2[C@@H]1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC001353092854 1056068859 /nfs/dbraw/zinc/06/88/59/1056068859.db2.gz KSWIYSVTVJZAPW-OLMNPRSZSA-N 1 0 372.469 2.701 20 5 FFBDRO Nc1c(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cc2ccccc2c1[N+](=O)[O-] ZINC001544237542 1071617189 /nfs/dbraw/zinc/61/71/89/1071617189.db2.gz JLCYKGFSRZCSPM-JKSUJKDBSA-N 1 0 354.410 2.687 20 5 FFBDRO Cc1cccc(C(=O)N[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1[N+](=O)[O-] ZINC001358495057 1056338479 /nfs/dbraw/zinc/33/84/79/1056338479.db2.gz VNXTVHXHHNLGKQ-UZLBHIALSA-N 1 0 367.405 2.889 20 5 FFBDRO COc1ccc(C[C@](C)([NH3+])CNc2ncnc3ccc([N+](=O)[O-])cc32)cc1 ZINC000611712662 1056448077 /nfs/dbraw/zinc/44/80/77/1056448077.db2.gz NKHDHONMZJBNJZ-IBGZPJMESA-N 1 0 367.409 2.919 20 5 FFBDRO C[C@H](c1nnc(N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)n1C)[N+](=O)[O-] ZINC001339541941 1056565217 /nfs/dbraw/zinc/56/52/17/1056565217.db2.gz NGULZRXXTDXTFV-LSDHHAIUSA-N 1 0 364.494 2.634 20 5 FFBDRO C[NH+](C)Cc1cccc(CNC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001339603279 1056627968 /nfs/dbraw/zinc/62/79/68/1056627968.db2.gz DELJTOLANFCZRZ-UHFFFAOYSA-N 1 0 354.410 2.882 20 5 FFBDRO CCn1c(-c2cc(C)cc([N+](=O)[O-])c2)nnc1N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC001339653788 1056680788 /nfs/dbraw/zinc/68/07/88/1056680788.db2.gz OVKYOZOWNKJVRV-PBHICJAKSA-N 1 0 370.457 2.712 20 5 FFBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001443869688 1058250641 /nfs/dbraw/zinc/25/06/41/1058250641.db2.gz PHZQXTMTLLDICF-AWEZNQCLSA-N 1 0 356.426 2.934 20 5 FFBDRO Cc1ccc(C(=O)Nc2cc(N3CC[NH+](C)CC3)ccc2[N+](=O)[O-])nc1C ZINC001518546668 1058416985 /nfs/dbraw/zinc/41/69/85/1058416985.db2.gz CXJHBKNMDMMPCI-UHFFFAOYSA-N 1 0 369.425 2.611 20 5 FFBDRO Cc1c(C(=O)OC[C@@H](C)[NH+]2CCCCC2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000847960286 1058521236 /nfs/dbraw/zinc/52/12/36/1058521236.db2.gz LBJFSAHMABOKDI-CYBMUJFWSA-N 1 0 373.413 2.515 20 5 FFBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001446876529 1058567095 /nfs/dbraw/zinc/56/70/95/1058567095.db2.gz ASZMQHQSRFOHSX-LSDHHAIUSA-N 1 0 351.834 2.924 20 5 FFBDRO CS[C@@H]1CN(C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1[NH+](C)C ZINC001447106539 1058597184 /nfs/dbraw/zinc/59/71/84/1058597184.db2.gz QGGRMZQFFBYNOO-LSDHHAIUSA-N 1 0 371.890 2.685 20 5 FFBDRO O=C(c1cc2ccccc2c2cccnc12)N1CCC(OC2C[NH2+]C2)CC1 ZINC001514947032 1059159545 /nfs/dbraw/zinc/15/95/45/1059159545.db2.gz ROKNKLTVGGVCSQ-UHFFFAOYSA-N 1 0 361.445 2.981 20 5 FFBDRO CCN(C(=O)c1cc(F)cc([N+](=O)[O-])c1Br)C1CC[NH2+]CC1 ZINC001515691618 1059750822 /nfs/dbraw/zinc/75/08/22/1059750822.db2.gz VICGNTKAFQIYSB-UHFFFAOYSA-N 1 0 374.210 2.711 20 5 FFBDRO COc1cccc(C(=O)N2CCC([C@@H]3CCC[NH2+]CC3)CC2)c1[N+](=O)[O-] ZINC001355065350 1059850461 /nfs/dbraw/zinc/85/04/61/1059850461.db2.gz KHKKKZKBTKCLMD-CQSZACIVSA-N 1 0 361.442 2.845 20 5 FFBDRO Cc1cccc(C(=O)NC[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC001520653839 1059921810 /nfs/dbraw/zinc/92/18/10/1059921810.db2.gz YCQCSOIOIKCBMZ-RDJZCZTQSA-N 1 0 361.442 2.524 20 5 FFBDRO O=[N+]([O-])c1cc2c(nc1N1CCC([NH2+]C3CCOCC3)CC1)CCCC2 ZINC001515990574 1059922347 /nfs/dbraw/zinc/92/23/47/1059922347.db2.gz SLDVDNKBEMUQSX-UHFFFAOYSA-N 1 0 360.458 2.606 20 5 FFBDRO CCOC[C@H]1CCC[N@H+](CN2CC[C@@H](c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000848478910 1060110332 /nfs/dbraw/zinc/11/03/32/1060110332.db2.gz OLBKVWSTNFFWAH-YJBOKZPZSA-N 1 0 361.442 2.617 20 5 FFBDRO CC(C)(C)[NH+]1CCC(NC(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000848581321 1060310513 /nfs/dbraw/zinc/31/05/13/1060310513.db2.gz PFLCEWRSRXBBET-UHFFFAOYSA-N 1 0 371.384 2.946 20 5 FFBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(F)(F)Oc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000848584804 1060314165 /nfs/dbraw/zinc/31/41/65/1060314165.db2.gz ISXIXAZOMNXWMO-DOMZBBRYSA-N 1 0 369.368 2.509 20 5 FFBDRO O=C(NCC1CC[NH+](C2CC2)CC1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848593001 1060324278 /nfs/dbraw/zinc/32/42/78/1060324278.db2.gz VABAKMIPTGSJCD-UHFFFAOYSA-N 1 0 369.368 2.557 20 5 FFBDRO O=[N+]([O-])c1cnc2ccccc2c1NC[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC001458608927 1060632549 /nfs/dbraw/zinc/63/25/49/1060632549.db2.gz UMHWUFVKNNCOQB-YJBOKZPZSA-N 1 0 370.453 2.868 20 5 FFBDRO CC[N@@H+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2[C@@H]2C[C@@H]2C)C[C@H]1C ZINC001547710940 1071990494 /nfs/dbraw/zinc/99/04/94/1071990494.db2.gz QINNQVQIPAHICD-JJRVBVJISA-N 1 0 370.457 2.965 20 5 FFBDRO Cc1c(CO)cc([N+](=O)[O-])c(N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000848783915 1060690310 /nfs/dbraw/zinc/69/03/10/1060690310.db2.gz GKAJAKWLSTVLHX-ZIAGYGMSSA-N 1 0 364.402 2.733 20 5 FFBDRO C[C@H](C[NH2+]Cc1c(Br)cccc1[N+](=O)[O-])Cn1ccnc1 ZINC001461157718 1061228193 /nfs/dbraw/zinc/22/81/93/1061228193.db2.gz SDOVFJYEALGOSD-LLVKDONJSA-N 1 0 353.220 2.980 20 5 FFBDRO COc1ccc(NC(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC001526863869 1061301593 /nfs/dbraw/zinc/30/15/93/1061301593.db2.gz YDXILGKGVDOYAA-CYBMUJFWSA-N 1 0 350.419 2.845 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+]CCCc2cccc(C)n2)cc1[N+](=O)[O-] ZINC001461492458 1061333895 /nfs/dbraw/zinc/33/38/95/1061333895.db2.gz QODDFYGAGSOQBL-UHFFFAOYSA-N 1 0 373.409 2.572 20 5 FFBDRO Cc1cc(NC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)cc([N+](=O)[O-])c1 ZINC001526958097 1061339404 /nfs/dbraw/zinc/33/94/04/1061339404.db2.gz VSDSLAXDIYPGOS-AWEZNQCLSA-N 1 0 362.430 2.526 20 5 FFBDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2c(C)cncc2[N+](=O)[O-])C1 ZINC001476375828 1061402270 /nfs/dbraw/zinc/40/22/70/1061402270.db2.gz MKJMCXBUJJEHJC-AWEZNQCLSA-N 1 0 363.462 2.742 20 5 FFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCN2CCNC2=S)s1 ZINC001461840626 1061424574 /nfs/dbraw/zinc/42/45/74/1061424574.db2.gz YQXKOKQBTIMYMQ-UHFFFAOYSA-N 1 0 362.480 2.603 20 5 FFBDRO CCC[N@H+](CC)CCNS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC001463227668 1062005796 /nfs/dbraw/zinc/00/57/96/1062005796.db2.gz JMEYBTYRVLQXFF-UHFFFAOYSA-N 1 0 363.867 2.567 20 5 FFBDRO CC1=CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H](C)[NH+](C)C)C1 ZINC001492609437 1062143744 /nfs/dbraw/zinc/14/37/44/1062143744.db2.gz UPSGZSQNAHAJBC-HNNXBMFYSA-N 1 0 370.457 2.960 20 5 FFBDRO Cc1nnc(N(C)Cc2ccccc2[N+](=O)[O-])n1C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001492781986 1062205659 /nfs/dbraw/zinc/20/56/59/1062205659.db2.gz SUFLVHPTPFYAKR-OAHLLOKOSA-N 1 0 370.457 2.615 20 5 FFBDRO Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3N)CC2)cc1 ZINC001463909656 1062327547 /nfs/dbraw/zinc/32/75/47/1062327547.db2.gz WHUWTIQSYKENGA-UHFFFAOYSA-N 1 0 368.437 2.834 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC[C@H]1[C@H](C)C[NH+](C)C ZINC001464170408 1062462195 /nfs/dbraw/zinc/46/21/95/1062462195.db2.gz ZCTZTNROWBSCCZ-ZBFHGGJFSA-N 1 0 369.487 2.644 20 5 FFBDRO CC(C)(CNC(=O)CCc1cc(F)ccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC001436116456 1062643653 /nfs/dbraw/zinc/64/36/53/1062643653.db2.gz UKLOAVAEEPGNCX-UHFFFAOYSA-N 1 0 351.422 2.905 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC[C@@H]1CCC[NH2+]CC1 ZINC001524222116 1062764836 /nfs/dbraw/zinc/76/48/36/1062764836.db2.gz IIAXAZDKMRXGKK-QWHCGFSZSA-N 1 0 369.849 2.912 20 5 FFBDRO O=C(N[C@H]1c2ccccc2CC[C@H]1[NH+]1CCCC1)c1ccc([N+](=O)[O-])cn1 ZINC001437024616 1062807398 /nfs/dbraw/zinc/80/73/98/1062807398.db2.gz ZNRZIOHZEBXJOE-MOPGFXCFSA-N 1 0 366.421 2.872 20 5 FFBDRO O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC001464782262 1062818574 /nfs/dbraw/zinc/81/85/74/1062818574.db2.gz WPGGWCSJAIVEMB-UHFFFAOYSA-N 1 0 365.349 2.777 20 5 FFBDRO C[C@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC001437872617 1062922384 /nfs/dbraw/zinc/92/23/84/1062922384.db2.gz NXLIDCOWUQOUFO-JKSUJKDBSA-N 1 0 362.474 2.752 20 5 FFBDRO C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC001439893216 1063229108 /nfs/dbraw/zinc/22/91/08/1063229108.db2.gz XFVRJEQDXLFUNF-MRXNPFEDSA-N 1 0 360.458 2.799 20 5 FFBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001466147093 1063340987 /nfs/dbraw/zinc/34/09/87/1063340987.db2.gz YQUGGCRGIMIHTI-LBPRGKRZSA-N 1 0 353.850 2.979 20 5 FFBDRO CC(C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[NH2+][C@@H](C)C1 ZINC001575583451 1078155005 /nfs/dbraw/zinc/15/50/05/1078155005.db2.gz CICRZXJVLUBMKJ-AWEZNQCLSA-N 1 0 358.446 2.698 20 5 FFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@H]3COC[C@@]3(c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001473786994 1065360292 /nfs/dbraw/zinc/36/02/92/1065360292.db2.gz VZYISALSVTWYIS-QFBILLFUSA-N 1 0 369.377 2.903 20 5 FFBDRO C[C@H]([NH3+])[C@@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2[C@H]2C[C@@H]2C)C1 ZINC001576121019 1078198251 /nfs/dbraw/zinc/19/82/51/1078198251.db2.gz ZKNHFFCTPFSMMI-LBEHMCEESA-N 1 0 370.457 2.998 20 5 FFBDRO O=C(C[NH2+]C1([C@H]2CCCO2)CCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC001473890693 1065408011 /nfs/dbraw/zinc/40/80/11/1065408011.db2.gz ZYQPHVQUDMOERT-CQSZACIVSA-N 1 0 353.806 2.878 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H](c2cncn2C(C)(C)C)C1 ZINC001473896408 1065411605 /nfs/dbraw/zinc/41/16/05/1065411605.db2.gz CLRUBLVNMLXSDX-OAHLLOKOSA-N 1 0 360.462 2.931 20 5 FFBDRO Cc1cc(S(=O)(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)c(C)cc1[N+](=O)[O-] ZINC001474834553 1065620317 /nfs/dbraw/zinc/62/03/17/1065620317.db2.gz NENKCEXUSSJMJW-IUODEOHRSA-N 1 0 369.487 2.610 20 5 FFBDRO CC[C@@H]1[C@H](C)CCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[NH2+]C ZINC001577237401 1078321974 /nfs/dbraw/zinc/32/19/74/1078321974.db2.gz SVXDQQUZVAMPGT-CZUORRHYSA-N 1 0 358.446 2.698 20 5 FFBDRO CCN(CC[NH3+])C(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC001577721143 1078391767 /nfs/dbraw/zinc/39/17/67/1078391767.db2.gz YCOWQFZCRYTHKX-CYBMUJFWSA-N 1 0 357.414 2.584 20 5 FFBDRO CN(C(=O)CCc1c(Cl)cccc1[N+](=O)[O-])[C@H](C[NH3+])C(F)(F)F ZINC001578376001 1078467069 /nfs/dbraw/zinc/46/70/69/1078467069.db2.gz AXMUBOFPNDLDRF-LLVKDONJSA-N 1 0 353.728 2.529 20 5 FFBDRO C[NH2+]CCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](C)[C@H](C)C1 ZINC001578694190 1078518412 /nfs/dbraw/zinc/51/84/12/1078518412.db2.gz LANNQMROZDCOKN-HUUCEWRRSA-N 1 0 372.473 2.945 20 5 FFBDRO COc1ccc(NC(=O)NCC[C@H]([NH3+])Cc2ccccc2)cc1[N+](=O)[O-] ZINC001579228466 1078594300 /nfs/dbraw/zinc/59/43/00/1078594300.db2.gz KOIBBVATATXKHL-AWEZNQCLSA-N 1 0 358.398 2.685 20 5 FFBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC001579392863 1078624943 /nfs/dbraw/zinc/62/49/43/1078624943.db2.gz DQPYKWXCVAVLML-NSHDSACASA-N 1 0 358.423 2.780 20 5 FFBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)C[C@@H]21 ZINC001580177494 1078760189 /nfs/dbraw/zinc/76/01/89/1078760189.db2.gz PFPQYDSOAYVFRD-QCZZGDTMSA-N 1 0 357.332 2.813 20 5 FFBDRO [NH3+]C[C@@]12CC[C@@H]1CCCN2C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001580249499 1078773998 /nfs/dbraw/zinc/77/39/98/1078773998.db2.gz AHCDKQNNUQKBHB-BONVTDFDSA-N 1 0 357.332 2.957 20 5 FFBDRO O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001580745743 1078853440 /nfs/dbraw/zinc/85/34/40/1078853440.db2.gz WNXOOAPJWYGQET-UAFMIMERSA-N 1 0 365.433 2.960 20 5 FFBDRO O=[N+]([O-])c1ccc(Br)c(CN2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC001580875043 1078881937 /nfs/dbraw/zinc/88/19/37/1078881937.db2.gz VQSFITSBMRWITB-OAHLLOKOSA-N 1 0 354.248 2.933 20 5 FFBDRO C[NH+](C)CC[C@H](NC(=O)Nc1ccc(F)c([N+](=O)[O-])c1)c1cccnc1 ZINC001562866067 1074071443 /nfs/dbraw/zinc/07/14/43/1074071443.db2.gz HLLXIMGQAPWTPE-HNNXBMFYSA-N 1 0 361.377 2.943 20 5 FFBDRO C[NH+](C)[C@@H]1C[C@H](NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1(C)C ZINC001557156179 1075816155 /nfs/dbraw/zinc/81/61/55/1075816155.db2.gz QQAYKQHOEOKQRL-ZWKOTPCHSA-N 1 0 374.485 2.656 20 5 FFBDRO CC(C)[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC001558767087 1076072814 /nfs/dbraw/zinc/07/28/14/1076072814.db2.gz GGWRXIXBDCTLBT-WBVHZDCISA-N 1 0 361.442 2.695 20 5 FFBDRO CCOc1cc(N2CCC(C[N@H+](CCO)C(C)C)CC2)ccc1[N+](=O)[O-] ZINC001559285570 1076145973 /nfs/dbraw/zinc/14/59/73/1076145973.db2.gz SMOVVBNSYWYYBF-UHFFFAOYSA-N 1 0 365.474 2.913 20 5 FFBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC001560109011 1076228941 /nfs/dbraw/zinc/22/89/41/1076228941.db2.gz RCZVPKRBCFDNCO-GJZGRUSLSA-N 1 0 369.425 2.528 20 5 FFBDRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC001560183691 1076242867 /nfs/dbraw/zinc/24/28/67/1076242867.db2.gz VSZQKARATCFTNJ-LJQANCHMSA-N 1 0 360.410 2.695 20 5 FFBDRO Cc1cc(C)c(S(=O)(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC001561125502 1076335972 /nfs/dbraw/zinc/33/59/72/1076335972.db2.gz OFODQQJLNSKUAQ-DOMZBBRYSA-N 1 0 369.487 2.610 20 5 FFBDRO CCc1ccc(S(=O)(=O)NCC2(C[NH+](C)C)CCCC2)cc1[N+](=O)[O-] ZINC001561454688 1076378353 /nfs/dbraw/zinc/37/83/53/1076378353.db2.gz DBHDCZZDTLZUIC-UHFFFAOYSA-N 1 0 369.487 2.558 20 5 FFBDRO CC[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cccc2ccccc21 ZINC001566550705 1076967639 /nfs/dbraw/zinc/96/76/39/1076967639.db2.gz RWPIHIFOSKZNBZ-RTBURBONSA-N 1 0 355.438 2.833 20 5 FFBDRO O=C(NC/C=C/C[NH2+]Cc1ccc(C2CCCC2)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001568847929 1077114206 /nfs/dbraw/zinc/11/42/06/1077114206.db2.gz BRYOGUQCAFBCDH-DUFJLWIISA-N 1 0 357.454 2.771 20 5 FFBDRO COc1cc(C[NH+](C)C)ccc1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001570178149 1077187335 /nfs/dbraw/zinc/18/73/35/1077187335.db2.gz AFRVUHIABDLYMD-UHFFFAOYSA-N 1 0 373.365 2.646 20 5 FFBDRO CCC1([NH2+]CCCC2CCCC2)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001570254770 1077193223 /nfs/dbraw/zinc/19/32/23/1077193223.db2.gz CMQIXXHSBQTDDD-IAGOWNOFSA-N 1 0 351.491 2.983 20 5 FFBDRO C[NH+](C)[C@@H]1C[C@@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC001585891947 1079510105 /nfs/dbraw/zinc/51/01/05/1079510105.db2.gz REQXRKATNKFNOB-IAGOWNOFSA-N 1 0 360.458 2.776 20 5 FFBDRO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CC[NH2+][C@H](Cc2ccc(F)cc2)C1 ZINC001586132306 1079555875 /nfs/dbraw/zinc/55/58/75/1079555875.db2.gz LSICFFSIPJQYIH-OAHLLOKOSA-N 1 0 361.348 2.530 20 5 FFBDRO CC(C)([NH2+]Cc1cccc(F)c1-c1nn[nH]n1)c1ccccc1[N+](=O)[O-] ZINC001589321859 1080482072 /nfs/dbraw/zinc/48/20/72/1080482072.db2.gz UQZIVFXKONIXLG-UHFFFAOYSA-N 1 0 356.361 2.939 20 5 FFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)C[C@H](O)c1cccc(-c2nn[nH]n2)c1 ZINC001590050732 1080979785 /nfs/dbraw/zinc/97/97/85/1080979785.db2.gz OMVDNBFKSNMSAH-SJCJKPOMSA-N 1 0 368.397 2.501 20 5 FFBDRO CC(C)[C@H](CNc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC001590269644 1081133646 /nfs/dbraw/zinc/13/36/46/1081133646.db2.gz RMEHLAJNJCPHKJ-INIZCTEOSA-N 1 0 373.461 2.943 20 5 FFBDRO Cc1n[nH]c(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000072061767 205464608 /nfs/dbraw/zinc/46/46/08/205464608.db2.gz CPJSDEJLKXCBSE-HNNXBMFYSA-N 1 0 357.414 2.502 20 5 FFBDRO CC1CC[NH+](C[C@H]2CCCN(C(=O)c3ccc(N)c([N+](=O)[O-])c3)C2)CC1 ZINC000109655831 206060998 /nfs/dbraw/zinc/06/09/98/206060998.db2.gz MCYKJWCDXSPRRW-OAHLLOKOSA-N 1 0 360.458 2.761 20 5 FFBDRO Cn1cc(C[NH2+]CC[S@](=O)C(C)(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000116921662 250322300 /nfs/dbraw/zinc/32/23/00/250322300.db2.gz KNFTWGZQXQAIOG-RUZDIDTESA-N 1 0 364.471 2.632 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)CCc1ccccn1 ZINC000153103516 251103049 /nfs/dbraw/zinc/10/30/49/251103049.db2.gz MQMGZEPPOWSCPH-UHFFFAOYSA-N 1 0 358.398 2.502 20 5 FFBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000285704532 257000555 /nfs/dbraw/zinc/00/05/55/257000555.db2.gz WCMFPMPFWJWKCZ-BBRMVZONSA-N 1 0 357.414 2.703 20 5 FFBDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000186782196 251263350 /nfs/dbraw/zinc/26/33/50/251263350.db2.gz AXEBWTLYUVACEM-ZWNOBZJWSA-N 1 0 374.363 2.530 20 5 FFBDRO Cc1ccc2[nH]c([C@@H]3CCC[N@H+](CCn4cc([N+](=O)[O-])cn4)C3)nc2c1 ZINC000181141406 251246286 /nfs/dbraw/zinc/24/62/86/251246286.db2.gz BONVUXFTVZULTM-CQSZACIVSA-N 1 0 354.414 2.856 20 5 FFBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000181185787 251255209 /nfs/dbraw/zinc/25/52/09/251255209.db2.gz XSYODHLLGOLIPJ-MAUKXSAKSA-N 1 0 357.410 2.514 20 5 FFBDRO C[C@@H]1C[C@@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000181188318 251256526 /nfs/dbraw/zinc/25/65/26/251256526.db2.gz QOTVUNXNUTWXRY-UKRRQHHQSA-N 1 0 354.410 2.570 20 5 FFBDRO C[C@H]1C[NH+](CCC2CCN(c3ncc([N+](=O)[O-])s3)CC2)C[C@H](C)O1 ZINC000192479762 251277899 /nfs/dbraw/zinc/27/78/99/251277899.db2.gz QYTQWASVUHOEIH-STQMWFEESA-N 1 0 354.476 2.767 20 5 FFBDRO COc1ccc(CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000267370871 251335797 /nfs/dbraw/zinc/33/57/97/251335797.db2.gz RTWQFHZLWGWJNU-HNNXBMFYSA-N 1 0 361.442 2.874 20 5 FFBDRO CN(C(=O)c1cccc([N+](=O)[O-])c1N)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000268762098 251375955 /nfs/dbraw/zinc/37/59/55/251375955.db2.gz VXVQZUPDSLNRKU-OAHLLOKOSA-N 1 0 354.410 2.524 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](CCO)c1ccccc1 ZINC000271653787 251846508 /nfs/dbraw/zinc/84/65/08/251846508.db2.gz JUMYCSVAXNDQFN-QGZVFWFLSA-N 1 0 357.410 2.945 20 5 FFBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)[C@@H]2C1 ZINC000272415058 252033435 /nfs/dbraw/zinc/03/34/35/252033435.db2.gz GAXDPHAGXPFEKE-QMTHXVAHSA-N 1 0 357.332 2.780 20 5 FFBDRO COc1cc(C[NH2+]CCC[C@H](C)CO)c([N+](=O)[O-])cc1OCC(F)F ZINC000272484900 252050307 /nfs/dbraw/zinc/05/03/07/252050307.db2.gz TXEGSCSAJKBFQH-NSHDSACASA-N 1 0 362.373 2.746 20 5 FFBDRO C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)C1=CC[N@H+](C)CC1 ZINC000272919579 252166024 /nfs/dbraw/zinc/16/60/24/252166024.db2.gz KDJLTXBRAVCWPJ-CQSZACIVSA-N 1 0 358.442 2.575 20 5 FFBDRO Cc1c([N+](=O)[O-])cc(C(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000273327201 252282871 /nfs/dbraw/zinc/28/28/71/252282871.db2.gz YHTHBNAQSGNZKG-LBPRGKRZSA-N 1 0 364.402 2.614 20 5 FFBDRO C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@H](CO)c1ccccc1 ZINC000275450062 256008405 /nfs/dbraw/zinc/00/84/05/256008405.db2.gz ILJJFFKBCDRWJV-QGZVFWFLSA-N 1 0 361.373 2.728 20 5 FFBDRO CCN(CCC[NH+](CC)CC)C(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 ZINC000276377865 256094629 /nfs/dbraw/zinc/09/46/29/256094629.db2.gz CWALSAVKLFLFNE-UHFFFAOYSA-N 1 0 367.446 2.806 20 5 FFBDRO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC1CC[NH+](C2CCCC2)CC1 ZINC000276061011 256069551 /nfs/dbraw/zinc/06/95/51/256069551.db2.gz AHANDZCKLQMNOV-UHFFFAOYSA-N 1 0 367.471 2.817 20 5 FFBDRO COc1cc(C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)cc([N+](=O)[O-])c1C ZINC000276887132 256139789 /nfs/dbraw/zinc/13/97/89/256139789.db2.gz TWSCFALYZRXOKQ-OAHLLOKOSA-N 1 0 361.442 2.716 20 5 FFBDRO Cc1ccc(C[NH2+]C2CCN(S(=O)(=O)C(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000276994443 256150304 /nfs/dbraw/zinc/15/03/04/256150304.db2.gz VGXQJPHHYKUBRS-UHFFFAOYSA-N 1 0 369.487 2.586 20 5 FFBDRO COc1cc(C[NH2+][C@@H]2CCOC[C@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000277439643 256198603 /nfs/dbraw/zinc/19/86/03/256198603.db2.gz LFKFATZANBVBPV-ZYHUDNBSSA-N 1 0 360.357 2.762 20 5 FFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCC(CO)(Cc3ccccc3)CC2)c1 ZINC000277791344 256239722 /nfs/dbraw/zinc/23/97/22/256239722.db2.gz OQZUOWJABHLDIC-FQEVSTJZSA-N 1 0 370.449 2.945 20 5 FFBDRO CCOC(=O)c1n[nH]c(C2CC[NH+]([C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000277918142 256255457 /nfs/dbraw/zinc/25/54/57/256255457.db2.gz XWAUQXAMMZFFKK-LBPRGKRZSA-N 1 0 373.413 2.830 20 5 FFBDRO CC(C)(C)[NH+]1CCC(NC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000277996516 256265272 /nfs/dbraw/zinc/26/52/72/256265272.db2.gz XGLUMVMHCRPIRU-UHFFFAOYSA-N 1 0 374.445 2.533 20 5 FFBDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000278770809 256346501 /nfs/dbraw/zinc/34/65/01/256346501.db2.gz WMHIDPWXJUOWTC-CYBMUJFWSA-N 1 0 353.850 2.933 20 5 FFBDRO CC1(C)C[C@@H]([NH2+]C[C@@H]2COC3(CCOCC3)O2)c2cc([N+](=O)[O-])ccc21 ZINC000279169543 256389413 /nfs/dbraw/zinc/38/94/13/256389413.db2.gz UPVGJNRLOJPYGL-RHSMWYFYSA-N 1 0 362.426 2.829 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCCC[C@H]1C[C@H](C)O ZINC000286210660 257025877 /nfs/dbraw/zinc/02/58/77/257025877.db2.gz YHLMSFCRRCQTDN-KBPBESRZSA-N 1 0 365.430 2.557 20 5 FFBDRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)c2cc(F)ccc2[N+](=O)[O-])cc1 ZINC000286295912 257029805 /nfs/dbraw/zinc/02/98/05/257029805.db2.gz XFYQJKCIYCVZJQ-MRXNPFEDSA-N 1 0 361.373 2.775 20 5 FFBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000286998631 257066109 /nfs/dbraw/zinc/06/61/09/257066109.db2.gz QUMHQONLYIPTKT-IUODEOHRSA-N 1 0 366.849 2.745 20 5 FFBDRO CCn1c(C)nc([N+](=O)[O-])c1NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000289011030 257247075 /nfs/dbraw/zinc/24/70/75/257247075.db2.gz XIBHNFHDXJWERN-UHFFFAOYSA-N 1 0 373.457 2.688 20 5 FFBDRO O=C(CC[N@@H+]1CCC2(C1)Oc1ccccc1O2)Nc1ccccc1[N+](=O)[O-] ZINC000289153330 257261195 /nfs/dbraw/zinc/26/11/95/257261195.db2.gz ZVCWNLMNYZMFSI-UHFFFAOYSA-N 1 0 369.377 2.797 20 5 FFBDRO O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000289160224 257261383 /nfs/dbraw/zinc/26/13/83/257261383.db2.gz GYPJBLPTMIAAOT-OAHLLOKOSA-N 1 0 357.332 2.829 20 5 FFBDRO C[C@H]([NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)c1cn[nH]c1 ZINC000289635527 257291221 /nfs/dbraw/zinc/29/12/21/257291221.db2.gz WEWAROSWSDSBCL-QMMMGPOBSA-N 1 0 372.166 2.773 20 5 FFBDRO O=C(CCC(=O)N1CCC[C@H]1C[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000294742144 257600557 /nfs/dbraw/zinc/60/05/57/257600557.db2.gz OIGKTTIWDGYZAE-KRWDZBQOSA-N 1 0 359.426 2.645 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)c1 ZINC000296878807 257762385 /nfs/dbraw/zinc/76/23/85/257762385.db2.gz FJVLZMUENSCMOQ-WBVHZDCISA-N 1 0 357.385 2.999 20 5 FFBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000297126037 257791400 /nfs/dbraw/zinc/79/14/00/257791400.db2.gz RKCVXDDVPCCYHH-UHFFFAOYSA-N 1 0 360.458 2.796 20 5 FFBDRO COc1ccc([C@@H](CNc2ncc([N+](=O)[O-])c(N)n2)[NH+]2CCCCC2)cc1 ZINC000301095660 258024564 /nfs/dbraw/zinc/02/45/64/258024564.db2.gz NEHNZTRQMORHFK-OAHLLOKOSA-N 1 0 372.429 2.615 20 5 FFBDRO Cc1[nH]nc(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)c1[N+](=O)[O-] ZINC000299498279 258000159 /nfs/dbraw/zinc/00/01/59/258000159.db2.gz CAAXMGATNYOAML-UHFFFAOYSA-N 1 0 357.414 2.907 20 5 FFBDRO CC(C)[NH+]1CCC(N(C)CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000299547894 258004064 /nfs/dbraw/zinc/00/40/64/258004064.db2.gz KLBSVYWJANYVIW-UHFFFAOYSA-N 1 0 368.865 2.991 20 5 FFBDRO Cc1cc(N[C@H](C)CC[NH+]2CCN(C)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000302299919 258098829 /nfs/dbraw/zinc/09/88/29/258098829.db2.gz YGQWKKKCNDKVAA-CQSZACIVSA-N 1 0 357.458 2.889 20 5 FFBDRO C[C@H](O)C[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)[C@@H](C)C1 ZINC000302438391 258101860 /nfs/dbraw/zinc/10/18/60/258101860.db2.gz MRQSALZXLUXKPU-GJZGRUSLSA-N 1 0 356.426 2.548 20 5 FFBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC[N@@H+]1CC(C)(C)O ZINC000302474729 258103066 /nfs/dbraw/zinc/10/30/66/258103066.db2.gz DQPDCHALEXMLFJ-LLVKDONJSA-N 1 0 361.364 2.895 20 5 FFBDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000302499712 258104208 /nfs/dbraw/zinc/10/42/08/258104208.db2.gz CKESUNQWEXYVJK-LLVKDONJSA-N 1 0 361.364 2.895 20 5 FFBDRO COC(=O)c1cnc(N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000302772840 258110340 /nfs/dbraw/zinc/11/03/40/258110340.db2.gz NOBVUFNJDONXBR-BBRMVZONSA-N 1 0 370.409 2.851 20 5 FFBDRO CCC[N@H+](C)C[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2Br)C1 ZINC000301535392 258054220 /nfs/dbraw/zinc/05/42/20/258054220.db2.gz MIILFYOEYCHGDO-NSHDSACASA-N 1 0 357.252 2.920 20 5 FFBDRO C[NH+](C)[C@@H](CNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2)Cc1ccccc1 ZINC000301605426 258058370 /nfs/dbraw/zinc/05/83/70/258058370.db2.gz MKJGQBRKLABTAG-CQSZACIVSA-N 1 0 370.409 2.511 20 5 FFBDRO C[C@H](Nc1ccc([N+](=O)[O-])cc1N1CCOC1=O)C(C)(C)C[NH+](C)C ZINC000301619228 258058808 /nfs/dbraw/zinc/05/88/08/258058808.db2.gz BWVCWSKUCXEVKG-LBPRGKRZSA-N 1 0 350.419 2.940 20 5 FFBDRO COc1cc(F)c([N+](=O)[O-])c(NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c1 ZINC000301712947 258064370 /nfs/dbraw/zinc/06/43/70/258064370.db2.gz VUJKLFGDFBRZOW-IAGOWNOFSA-N 1 0 367.421 2.922 20 5 FFBDRO Cc1cc(N[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)ncc1[N+](=O)[O-] ZINC000301719978 258065095 /nfs/dbraw/zinc/06/50/95/258065095.db2.gz MDEMIHVKTZXYHK-SJORKVTESA-N 1 0 356.426 2.593 20 5 FFBDRO CCOc1cc(N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)ccc1[N+](=O)[O-] ZINC000301845289 258070134 /nfs/dbraw/zinc/07/01/34/258070134.db2.gz MAPIHZHTKPYQBX-BYICEURKSA-N 1 0 374.485 2.741 20 5 FFBDRO Cc1cc(NC[C@H](O)C[NH+]2CCC(C)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000301984283 258080150 /nfs/dbraw/zinc/08/01/50/258080150.db2.gz CCYOJXNMCFVWEE-HNNXBMFYSA-N 1 0 358.442 2.956 20 5 FFBDRO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000331490187 258188104 /nfs/dbraw/zinc/18/81/04/258188104.db2.gz ACJBDMBCJSZPPW-ZDUSSCGKSA-N 1 0 367.396 2.750 20 5 FFBDRO O=C(CC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)N1CCCCC1 ZINC000331958773 258207781 /nfs/dbraw/zinc/20/77/81/258207781.db2.gz JMSJYDPRKLXLSJ-UHFFFAOYSA-N 1 0 361.442 2.841 20 5 FFBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000332075794 258212677 /nfs/dbraw/zinc/21/26/77/258212677.db2.gz FWQNKAQGXRRGMH-DGCLKSJQSA-N 1 0 369.368 2.895 20 5 FFBDRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(Br)cc1[N+](=O)[O-] ZINC000332228246 258220023 /nfs/dbraw/zinc/22/00/23/258220023.db2.gz CQYPJFWXOBIUPW-STQMWFEESA-N 1 0 368.231 2.714 20 5 FFBDRO CC(C)c1n[nH]c(C(=O)N2CCC[C@H]([NH+]3[C@H](C)CC[C@H]3C)C2)c1[N+](=O)[O-] ZINC000331757815 258199410 /nfs/dbraw/zinc/19/94/10/258199410.db2.gz BDRCIYKNQRZUME-MCIONIFRSA-N 1 0 363.462 2.919 20 5 FFBDRO O=C(NC1CC([NH+]2CCCCC2)C1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000372996903 512124698 /nfs/dbraw/zinc/12/46/98/512124698.db2.gz IQPMNASRFLEMNL-UHFFFAOYSA-N 1 0 370.409 2.595 20 5 FFBDRO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000369067507 512212315 /nfs/dbraw/zinc/21/23/15/512212315.db2.gz USRJVVZUWMHKQS-CQSZACIVSA-N 1 0 369.425 2.527 20 5 FFBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)CC[N@H+](C)C1CCCCC1 ZINC000065971466 506402892 /nfs/dbraw/zinc/40/28/92/506402892.db2.gz BOGLUURDOVEIJP-UHFFFAOYSA-N 1 0 369.487 2.788 20 5 FFBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000054226575 506518133 /nfs/dbraw/zinc/51/81/33/506518133.db2.gz MRCQQNKSHFJBPX-WBVHZDCISA-N 1 0 369.421 2.925 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000043126955 506703807 /nfs/dbraw/zinc/70/38/07/506703807.db2.gz OUKJXGRKWKRSRP-MRXNPFEDSA-N 1 0 372.425 2.898 20 5 FFBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000055407449 506745906 /nfs/dbraw/zinc/74/59/06/506745906.db2.gz LRWSJRJSWLXWFO-LSDHHAIUSA-N 1 0 371.441 2.631 20 5 FFBDRO CC[NH+](CC)[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)c1ccco1 ZINC000067274433 506814211 /nfs/dbraw/zinc/81/42/11/506814211.db2.gz YUEYMMHRISTREX-CQSZACIVSA-N 1 0 364.377 2.722 20 5 FFBDRO CC(C)(CNC(=O)NCCNc1ccccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000045118878 506920755 /nfs/dbraw/zinc/92/07/55/506920755.db2.gz XIQYMCYJUXCWDG-UHFFFAOYSA-N 1 0 363.462 2.570 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000056066296 506923549 /nfs/dbraw/zinc/92/35/49/506923549.db2.gz XJFFWNSPFABODJ-UHFFFAOYSA-N 1 0 369.487 2.694 20 5 FFBDRO Nc1ccc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000017362913 507123823 /nfs/dbraw/zinc/12/38/23/507123823.db2.gz UQANKDQRIIZVMK-UHFFFAOYSA-N 1 0 354.410 2.571 20 5 FFBDRO O=[N+]([O-])c1c(N2CC[NH+](CCc3cccs3)CC2)nc2sccn21 ZINC000057141407 507183327 /nfs/dbraw/zinc/18/33/27/507183327.db2.gz SFLYYTWRULFNJN-UHFFFAOYSA-N 1 0 363.468 2.730 20 5 FFBDRO C[NH+]1CCN(Cc2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000057273823 507225340 /nfs/dbraw/zinc/22/53/40/507225340.db2.gz MUZBNMWAWZLRPC-UHFFFAOYSA-N 1 0 354.410 2.595 20 5 FFBDRO CCCC[NH+]1CCC(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)CC1 ZINC000068902536 507354885 /nfs/dbraw/zinc/35/48/85/507354885.db2.gz AYRYFHVBAMCDMN-UHFFFAOYSA-N 1 0 369.487 2.754 20 5 FFBDRO CCCC[NH+]1CCC(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2CC)CC1 ZINC000068903291 507357624 /nfs/dbraw/zinc/35/76/24/507357624.db2.gz LFSJHSHBAXVMLR-UHFFFAOYSA-N 1 0 369.487 2.700 20 5 FFBDRO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CC[NH+](CC2CC2)CC1 ZINC000047866318 507402785 /nfs/dbraw/zinc/40/27/85/507402785.db2.gz IVPKWKBDQPYKFU-UHFFFAOYSA-N 1 0 370.356 2.756 20 5 FFBDRO CC[N@@H+]1CC[C@@H](CNC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000047866226 507403629 /nfs/dbraw/zinc/40/36/29/507403629.db2.gz HOFNSEAIALWSOZ-JTQLQIEISA-N 1 0 358.345 2.660 20 5 FFBDRO C[C@@H](CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000047917179 507413572 /nfs/dbraw/zinc/41/35/72/507413572.db2.gz IMSDUXBYXQKZBF-HNNXBMFYSA-N 1 0 360.458 2.657 20 5 FFBDRO CC(C)[NH+](CCNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)C(C)C ZINC000058489546 507426051 /nfs/dbraw/zinc/42/60/51/507426051.db2.gz JVWLWRJMJDGFKI-UHFFFAOYSA-N 1 0 359.430 2.629 20 5 FFBDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000060453121 507545531 /nfs/dbraw/zinc/54/55/31/507545531.db2.gz MOJVTOLZANWDSK-CQSZACIVSA-N 1 0 367.446 2.609 20 5 FFBDRO O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000050029343 507653098 /nfs/dbraw/zinc/65/30/98/507653098.db2.gz XAMJLEZELYOHFP-IBGZPJMESA-N 1 0 368.437 2.788 20 5 FFBDRO Cc1ccccc1OCC[N@@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000027700904 507678916 /nfs/dbraw/zinc/67/89/16/507678916.db2.gz IHALLOJGAWKNBS-QGZVFWFLSA-N 1 0 360.410 2.654 20 5 FFBDRO CC[NH+]1CCC(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000051341920 507762307 /nfs/dbraw/zinc/76/23/07/507762307.db2.gz TYZVSJBBIBCNHW-UHFFFAOYSA-N 1 0 360.439 2.932 20 5 FFBDRO CCCCN(C)C(=O)C1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000052187024 507801329 /nfs/dbraw/zinc/80/13/29/507801329.db2.gz PVARUAJTHHQVOY-UHFFFAOYSA-N 1 0 363.458 2.944 20 5 FFBDRO Cc1nn(C)c(Nc2cccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)c2)c1[N+](=O)[O-] ZINC000077983158 507823683 /nfs/dbraw/zinc/82/36/83/507823683.db2.gz WMGVONHMGYFOMB-STQMWFEESA-N 1 0 359.430 2.990 20 5 FFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(CC(=O)N2CCN(C)CC2)CC1 ZINC000072630430 507834207 /nfs/dbraw/zinc/83/42/07/507834207.db2.gz DXKGPXUIMHFQFC-MRXNPFEDSA-N 1 0 374.485 2.532 20 5 FFBDRO COc1ccccc1C[C@H](C)[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000072772024 507851343 /nfs/dbraw/zinc/85/13/43/507851343.db2.gz MXCKZZLWLULZGD-ZDUSSCGKSA-N 1 0 357.410 2.765 20 5 FFBDRO CC(=O)c1ccc(NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000089643914 507853334 /nfs/dbraw/zinc/85/33/34/507853334.db2.gz LIZOKBMDPBKRFD-QZTJIDSGSA-N 1 0 369.421 2.845 20 5 FFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)CC[NH+]1CCCC1 ZINC000089900297 507880825 /nfs/dbraw/zinc/88/08/25/507880825.db2.gz CHBCQRZTDRJDOT-GFCCVEGCSA-N 1 0 354.838 2.603 20 5 FFBDRO C[N@@H+]1CCC[C@H](CNC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000108505991 507899564 /nfs/dbraw/zinc/89/95/64/507899564.db2.gz LGGKOUGXMJQRDB-SNVBAGLBSA-N 1 0 358.345 2.660 20 5 FFBDRO CN(CC(=O)NC[C@H](c1cccs1)[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC000079288193 507950811 /nfs/dbraw/zinc/95/08/11/507950811.db2.gz DLAVSIAWGYTNFP-OAHLLOKOSA-N 1 0 362.455 2.512 20 5 FFBDRO C[C@H](CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)[NH+]1CCC(C)CC1 ZINC000109290360 507952869 /nfs/dbraw/zinc/95/28/69/507952869.db2.gz WKMUCTXNERMDOZ-OAHLLOKOSA-N 1 0 371.441 2.631 20 5 FFBDRO CN(CC(=O)NC[C@@H](c1ccsc1)[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC000079492034 507967499 /nfs/dbraw/zinc/96/74/99/507967499.db2.gz NAWDXYVEMPDQMA-INIZCTEOSA-N 1 0 362.455 2.512 20 5 FFBDRO O=C1OCCN1c1cc([N+](=O)[O-])ccc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000091453425 507987052 /nfs/dbraw/zinc/98/70/52/507987052.db2.gz GBPFFHFBPPVWMP-HNNXBMFYSA-N 1 0 360.414 2.616 20 5 FFBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC[C@H]([NH+](C)C)C1 ZINC000109810938 507989425 /nfs/dbraw/zinc/98/94/25/507989425.db2.gz HUDIGWLJTUBFFQ-AAEUAGOBSA-N 1 0 354.838 2.601 20 5 FFBDRO CN(CC[NH+]1CCCC1)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000079805348 508002628 /nfs/dbraw/zinc/00/26/28/508002628.db2.gz LUWRQVGMVQVOFO-UHFFFAOYSA-N 1 0 356.220 2.525 20 5 FFBDRO CCc1nn(C)c(N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000091729305 508005758 /nfs/dbraw/zinc/00/57/58/508005758.db2.gz IUTKYSYQLOWQAP-HNNXBMFYSA-N 1 0 357.458 2.992 20 5 FFBDRO COc1cc(C[N@@H+]2CC[C@]3(C2)C(=O)Nc2ccccc23)c([N+](=O)[O-])cc1F ZINC000373514971 512372447 /nfs/dbraw/zinc/37/24/47/512372447.db2.gz WPGDTYWLKRSTEG-LJQANCHMSA-N 1 0 371.368 2.838 20 5 FFBDRO NC(=O)c1ccc(C[N@H+](CCO)[C@@H]2CCCc3ccccc32)c([N+](=O)[O-])c1 ZINC000074312417 508009907 /nfs/dbraw/zinc/00/99/07/508009907.db2.gz KMJSFCBGZYHKPM-GOSISDBHSA-N 1 0 369.421 2.566 20 5 FFBDRO CC[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075675203 508127882 /nfs/dbraw/zinc/12/78/82/508127882.db2.gz UIGBNJQJUQRWTH-OTWHNJEPSA-N 1 0 358.442 2.810 20 5 FFBDRO COC(=O)C(C)(C)[C@@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000093282269 508134109 /nfs/dbraw/zinc/13/41/09/508134109.db2.gz OMMPRFUOBKGCEE-CQSZACIVSA-N 1 0 350.415 2.885 20 5 FFBDRO Cc1cccn2c(C[N@@H+]3CC[C@@H](Nc4ccc([N+](=O)[O-])cn4)C3)cnc12 ZINC000093534524 508148417 /nfs/dbraw/zinc/14/84/17/508148417.db2.gz WLRYMAKURGFNPU-CQSZACIVSA-N 1 0 352.398 2.632 20 5 FFBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000081361905 508167191 /nfs/dbraw/zinc/16/71/91/508167191.db2.gz MCICGGSLEZTPSU-INIZCTEOSA-N 1 0 374.485 2.999 20 5 FFBDRO O=[N+]([O-])c1ccccc1OCC[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000112337583 508175921 /nfs/dbraw/zinc/17/59/21/508175921.db2.gz BNQHBYNIGHNVML-UHFFFAOYSA-N 1 0 367.409 2.896 20 5 FFBDRO C[NH+](C)CCc1ccc(NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)cc1 ZINC000112519108 508193143 /nfs/dbraw/zinc/19/31/43/508193143.db2.gz AIFPNPOYQWXHCW-UHFFFAOYSA-N 1 0 371.393 2.722 20 5 FFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000081633411 508198966 /nfs/dbraw/zinc/19/89/66/508198966.db2.gz MIZFRBOZLUOBJE-GDBMZVCRSA-N 1 0 360.458 2.586 20 5 FFBDRO Cc1sc(C(=O)NC2CC[NH+](CCOC(C)C)CC2)cc1[N+](=O)[O-] ZINC000081997720 508224388 /nfs/dbraw/zinc/22/43/88/508224388.db2.gz SRAWTEJEKAQPAA-UHFFFAOYSA-N 1 0 355.460 2.584 20 5 FFBDRO C[NH+](C)C1(CNC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CCOCC1 ZINC000114055184 508292156 /nfs/dbraw/zinc/29/21/56/508292156.db2.gz DNKVNWZTIYYBEM-UHFFFAOYSA-N 1 0 363.458 2.733 20 5 FFBDRO COc1cc(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000114644113 508333335 /nfs/dbraw/zinc/33/33/35/508333335.db2.gz POJZPQKPMRASQY-QGZVFWFLSA-N 1 0 369.421 2.998 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000114645221 508333517 /nfs/dbraw/zinc/33/35/17/508333517.db2.gz KWOFQEDWDDXJOW-QGZVFWFLSA-N 1 0 369.421 2.998 20 5 FFBDRO C[C@@H](CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)[N@@H+]1CCCC[C@@H]1C ZINC000087037217 508333560 /nfs/dbraw/zinc/33/35/60/508333560.db2.gz FAHIPHXKPPWZOB-GJZGRUSLSA-N 1 0 360.458 2.925 20 5 FFBDRO C[NH+](C)CCOc1cccc(CNC(=O)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000087274756 508345921 /nfs/dbraw/zinc/34/59/21/508345921.db2.gz AGEYTOFACNBSJQ-UHFFFAOYSA-N 1 0 371.437 2.784 20 5 FFBDRO CC(C)([NH3+])c1noc(COc2ccc(Br)cc2[N+](=O)[O-])n1 ZINC000088086545 508356132 /nfs/dbraw/zinc/35/61/32/508356132.db2.gz DTDFEBMWNZWOTP-UHFFFAOYSA-N 1 0 357.164 2.513 20 5 FFBDRO C[NH+]1CCC(CNC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000105277523 508367704 /nfs/dbraw/zinc/36/77/04/508367704.db2.gz BPGRXUQSMUKQES-UHFFFAOYSA-N 1 0 358.345 2.660 20 5 FFBDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000156352749 508406187 /nfs/dbraw/zinc/40/61/87/508406187.db2.gz AYWUGWAQCQDHHM-NEPJUHHUSA-N 1 0 355.822 2.603 20 5 FFBDRO CNC(=O)c1ccc(NC[C@H](Cc2ccccc2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000115713909 508429988 /nfs/dbraw/zinc/42/99/88/508429988.db2.gz IDEXVMHZLMHVBU-INIZCTEOSA-N 1 0 356.426 2.539 20 5 FFBDRO CC(C)NC(=O)c1ccc(N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c([N+](=O)[O-])c1 ZINC000133734442 508441287 /nfs/dbraw/zinc/44/12/87/508441287.db2.gz OYUQRJPWLZMUCQ-CVEARBPZSA-N 1 0 360.458 2.654 20 5 FFBDRO C[NH+]1CCC(CNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000127655357 508482771 /nfs/dbraw/zinc/48/27/71/508482771.db2.gz HZYMDCLHLBOVCV-UHFFFAOYSA-N 1 0 360.439 2.790 20 5 FFBDRO C[C@@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CC[N@@H+]1C ZINC000127657868 508483026 /nfs/dbraw/zinc/48/30/26/508483026.db2.gz MNHINQYJDLCRGJ-HUUCEWRRSA-N 1 0 360.458 2.750 20 5 FFBDRO C[C@H]([C@@H]1Cc2ccccc2O1)[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000134234756 508510925 /nfs/dbraw/zinc/51/09/25/508510925.db2.gz WKDOCOGDMNNWAB-LIVBEALHSA-N 1 0 372.421 2.659 20 5 FFBDRO COc1ccc(OCC[N@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000122318387 508517368 /nfs/dbraw/zinc/51/73/68/508517368.db2.gz AARRRBCRQOUDGQ-UHFFFAOYSA-N 1 0 373.409 2.943 20 5 FFBDRO Cc1nn(C)c(C(=O)NCc2ccccc2C[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000127916526 508520320 /nfs/dbraw/zinc/52/03/20/508520320.db2.gz XFHVTINQROQFTF-UHFFFAOYSA-N 1 0 371.441 2.553 20 5 FFBDRO CCOCCC[N@@H+]1CC[C@H](NCc2cc([N+](=O)[O-])ccc2OC)[C@H](C)C1 ZINC000122414590 508531124 /nfs/dbraw/zinc/53/11/24/508531124.db2.gz QSLYPOMPHPUGCX-QAPCUYQASA-N 1 0 365.474 2.830 20 5 FFBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000157317966 508552106 /nfs/dbraw/zinc/55/21/06/508552106.db2.gz LOAVKESDIAXOQD-CJNGLKHVSA-N 1 0 351.834 2.733 20 5 FFBDRO C[C@@H](C(=O)N1CCc2ccccc21)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153354780 508574148 /nfs/dbraw/zinc/57/41/48/508574148.db2.gz BRWXXCKEVZKXNQ-AWEZNQCLSA-N 1 0 351.406 2.931 20 5 FFBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH+]1CCc2ccccc2CC1 ZINC000117342182 508593510 /nfs/dbraw/zinc/59/35/10/508593510.db2.gz NPLTWPBCWRBSCC-UHFFFAOYSA-N 1 0 367.405 2.994 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000122890433 508603342 /nfs/dbraw/zinc/60/33/42/508603342.db2.gz DJSFABNBHNJPEY-UHFFFAOYSA-N 1 0 350.419 2.845 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N(C)[C@@H]3CCC[N@H+](C)C3)cc2[N+](=O)[O-])CC1 ZINC000153610662 508607519 /nfs/dbraw/zinc/60/75/19/508607519.db2.gz YFWHILWOPLMSDG-QGZVFWFLSA-N 1 0 374.485 2.997 20 5 FFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCN(c2cc[nH+]cc2)CC1 ZINC000117745995 508616536 /nfs/dbraw/zinc/61/65/36/508616536.db2.gz YOFZOYSMVGXBAH-UHFFFAOYSA-N 1 0 360.801 2.535 20 5 FFBDRO C[NH+](C)[C@H](CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000153650228 508617287 /nfs/dbraw/zinc/61/72/87/508617287.db2.gz GEXRCAHFKWOJMP-LJQANCHMSA-N 1 0 368.437 2.965 20 5 FFBDRO COc1cc(C[NH2+]C[C@](C)(O)c2ccc(F)cc2)c([N+](=O)[O-])cc1OC ZINC000157831109 508618885 /nfs/dbraw/zinc/61/88/85/508618885.db2.gz FNBQBWRUDPZLHY-SFHVURJKSA-N 1 0 364.373 2.748 20 5 FFBDRO CC[NH+](CC)[C@H](CNC(=O)c1c([N+](=O)[O-])c(C)nn1C)c1ccsc1 ZINC000128705041 508631594 /nfs/dbraw/zinc/63/15/94/508631594.db2.gz ICKLUOASFLWGJS-CYBMUJFWSA-N 1 0 365.459 2.511 20 5 FFBDRO CC[NH+]1CCC(CCNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000135925262 508659000 /nfs/dbraw/zinc/65/90/00/508659000.db2.gz RWTWKRFUFIIYCJ-UHFFFAOYSA-N 1 0 358.442 2.857 20 5 FFBDRO C[C@H]1C[C@H](N(C)C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000123418743 508684118 /nfs/dbraw/zinc/68/41/18/508684118.db2.gz ZECRQZLQAFJAKE-GOEBONIOSA-N 1 0 360.458 2.750 20 5 FFBDRO C[C@@H]1C[NH+](CCCCNC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000129644692 508749815 /nfs/dbraw/zinc/74/98/15/508749815.db2.gz KFVXFDXRVZACLI-ZIAGYGMSSA-N 1 0 350.419 2.606 20 5 FFBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000158857677 508760648 /nfs/dbraw/zinc/76/06/48/508760648.db2.gz YVMYUAHWJACZSN-QGZVFWFLSA-N 1 0 372.425 2.867 20 5 FFBDRO Cc1c(CN2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cccc1[N+](=O)[O-] ZINC000119526904 508813134 /nfs/dbraw/zinc/81/31/34/508813134.db2.gz QKVCKIKEKGPTNK-DFNIBXOVSA-N 1 0 358.486 2.646 20 5 FFBDRO C[NH+](C)CCn1cc(NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cn1 ZINC000130362524 508814422 /nfs/dbraw/zinc/81/44/22/508814422.db2.gz WAMLFSPCAREKCT-UHFFFAOYSA-N 1 0 359.430 2.903 20 5 FFBDRO C[C@H](NCc1c(Cl)cccc1[N+](=O)[O-])c1ccc(S(N)(=O)=O)cc1 ZINC000119622673 508831084 /nfs/dbraw/zinc/83/10/84/508831084.db2.gz PYXODKLJHFRBEZ-JTQLQIEISA-N 1 0 369.830 2.746 20 5 FFBDRO CC[N@@H+]1CCCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000119768845 508859309 /nfs/dbraw/zinc/85/93/09/508859309.db2.gz SKRNWAUCRYVKFP-UHFFFAOYSA-N 1 0 356.220 2.525 20 5 FFBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000119836215 508872538 /nfs/dbraw/zinc/87/25/38/508872538.db2.gz OXASXQNBVPQYCI-AWEZNQCLSA-N 1 0 351.472 2.781 20 5 FFBDRO COc1ccc([C@H]2CCC[N@@H+]2CCn2cc([N+](=O)[O-])ccc2=O)cc1OC ZINC000159704146 508878244 /nfs/dbraw/zinc/87/82/44/508878244.db2.gz JGDRBTYFXXMERK-MRXNPFEDSA-N 1 0 373.409 2.611 20 5 FFBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000125257561 508956643 /nfs/dbraw/zinc/95/66/43/508956643.db2.gz FKVCWPLYQLQRDL-LPHOPBHVSA-N 1 0 372.469 2.796 20 5 FFBDRO CC1CC[NH+](CCCCNC(=O)Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000131682190 508959650 /nfs/dbraw/zinc/95/96/50/508959650.db2.gz ALNIINGHONFKBF-UHFFFAOYSA-N 1 0 351.422 2.905 20 5 FFBDRO O=C(c1cc(F)c([N+](=O)[O-])cc1F)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000160271892 508963425 /nfs/dbraw/zinc/96/34/25/508963425.db2.gz XLBQNFWLFMJAIG-LBPRGKRZSA-N 1 0 353.369 2.964 20 5 FFBDRO COCCC[NH+]1CCC(NC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000120315747 508970840 /nfs/dbraw/zinc/97/08/40/508970840.db2.gz GCPNYAXWJKCPLV-UHFFFAOYSA-N 1 0 364.446 2.834 20 5 FFBDRO C[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)CCC1CCOCC1 ZINC000120322178 508972861 /nfs/dbraw/zinc/97/28/61/508972861.db2.gz RZMZISBSDKRJOR-UHFFFAOYSA-N 1 0 363.414 2.641 20 5 FFBDRO O=C1CCc2cc([N+](=O)[O-])c(N3CCC[C@@H]3C[NH+]3CCCCC3)cc2N1 ZINC000160444735 508988302 /nfs/dbraw/zinc/98/83/02/508988302.db2.gz XSKUVEKBQAXPRL-OAHLLOKOSA-N 1 0 358.442 2.934 20 5 FFBDRO CC[N@H+](CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC000151475512 509024842 /nfs/dbraw/zinc/02/48/42/509024842.db2.gz AITWJHFWKJFJIO-UHFFFAOYSA-N 1 0 370.247 2.500 20 5 FFBDRO COc1cc(C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000160743283 509027234 /nfs/dbraw/zinc/02/72/34/509027234.db2.gz LIFZWOUIBWTUEW-MRXNPFEDSA-N 1 0 357.410 2.506 20 5 FFBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@@H](O)c3ccc(F)cc3Cl)CC2)n1 ZINC000369494368 512436452 /nfs/dbraw/zinc/43/64/52/512436452.db2.gz PTKGPVKPAITCKP-OAHLLOKOSA-N 1 0 368.796 2.954 20 5 FFBDRO C[N@@H+]1CCC[C@@H]2CN(c3ncc([N+](=O)[O-])cc3Br)CC[C@@H]21 ZINC000133449960 509161653 /nfs/dbraw/zinc/16/16/53/509161653.db2.gz UERVSHGBOMNJBX-MFKMUULPSA-N 1 0 355.236 2.673 20 5 FFBDRO Nc1c(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)cccc1[N+](=O)[O-] ZINC000175946458 509231678 /nfs/dbraw/zinc/23/16/78/509231678.db2.gz BNXBVWROCZWOBL-UHFFFAOYSA-N 1 0 354.410 2.703 20 5 FFBDRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000172895355 509297332 /nfs/dbraw/zinc/29/73/32/509297332.db2.gz BNQPEMRWYZYPAN-UHFFFAOYSA-N 1 0 370.409 2.666 20 5 FFBDRO O=[N+]([O-])c1cc(Br)ccc1N1CC[NH+](C2CCOCC2)CC1 ZINC000267052101 509325718 /nfs/dbraw/zinc/32/57/18/509325718.db2.gz NUAHNJWQJBCJIC-UHFFFAOYSA-N 1 0 370.247 2.658 20 5 FFBDRO CCCO[C@H]1CCC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000248454782 509329845 /nfs/dbraw/zinc/32/98/45/509329845.db2.gz KMJBRXNBKHOJHO-CVEARBPZSA-N 1 0 352.431 2.616 20 5 FFBDRO CCC[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2C)CC[N@@H+]1CCOC ZINC000163242181 509355094 /nfs/dbraw/zinc/35/50/94/509355094.db2.gz BCPZUFWZEJUGEN-MRXNPFEDSA-N 1 0 364.446 2.868 20 5 FFBDRO O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000173039641 509363553 /nfs/dbraw/zinc/36/35/53/509363553.db2.gz OQJUMHSJCMDTKG-IBGZPJMESA-N 1 0 353.422 2.918 20 5 FFBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000176207791 509378597 /nfs/dbraw/zinc/37/85/97/509378597.db2.gz NXQKHHPYRQLGOP-ZFWWWQNUSA-N 1 0 371.224 2.688 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1SC ZINC000264221697 509392629 /nfs/dbraw/zinc/39/26/29/509392629.db2.gz WBQCHZBPDASGRZ-CHWSQXEVSA-N 1 0 365.455 2.682 20 5 FFBDRO C[NH+](C)CCN(Cc1cccs1)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000176257873 509405931 /nfs/dbraw/zinc/40/59/31/509405931.db2.gz QJAVHEWQOCWRGK-UHFFFAOYSA-N 1 0 373.438 2.737 20 5 FFBDRO O=C(NCC1([NH+]2CCCC2)CCOCC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000264265492 509423553 /nfs/dbraw/zinc/42/35/53/509423553.db2.gz MUNVNHRFSQCUMX-UHFFFAOYSA-N 1 0 367.833 2.623 20 5 FFBDRO CC(C)CC[NH+]1CCC(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000185918257 509425997 /nfs/dbraw/zinc/42/59/97/509425997.db2.gz JFUDUFPGOKTVEM-UHFFFAOYSA-N 1 0 369.487 2.631 20 5 FFBDRO CCCc1n[nH]c(C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1[N+](=O)[O-] ZINC000182853722 509460246 /nfs/dbraw/zinc/46/02/46/509460246.db2.gz QVWKZBNAOFQLKP-STQMWFEESA-N 1 0 363.462 2.653 20 5 FFBDRO C[NH+](C)CCC1CCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC1 ZINC000164079384 509460797 /nfs/dbraw/zinc/46/07/97/509460797.db2.gz HGBDEHAYYZQEEM-UHFFFAOYSA-N 1 0 371.441 2.584 20 5 FFBDRO CCN(C1CC[NH+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1)S(C)(=O)=O ZINC000182874213 509470012 /nfs/dbraw/zinc/47/00/12/509470012.db2.gz FHINTPPCRSLXKO-CQSZACIVSA-N 1 0 369.487 2.710 20 5 FFBDRO Cc1c(Br)cc(C(=O)NCC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000164216960 509477929 /nfs/dbraw/zinc/47/79/29/509477929.db2.gz YXZWUSKPCJQILK-UHFFFAOYSA-N 1 0 370.247 2.881 20 5 FFBDRO CCC[N@H+](CC)CCNC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000192360583 509481351 /nfs/dbraw/zinc/48/13/51/509481351.db2.gz YEIFECAYYYKKRO-UHFFFAOYSA-N 1 0 358.236 2.819 20 5 FFBDRO CC(C)c1ccc([C@H]([NH3+])CNC(=O)CNc2ccccc2[N+](=O)[O-])cc1 ZINC000236764862 509499859 /nfs/dbraw/zinc/49/98/59/509499859.db2.gz BEYNXMOJINKBJR-MRXNPFEDSA-N 1 0 356.426 2.946 20 5 FFBDRO CC[NH+](CC)[C@H]1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000267467885 509502122 /nfs/dbraw/zinc/50/21/22/509502122.db2.gz MUWKHIXCAZBNKE-LBPRGKRZSA-N 1 0 370.247 2.914 20 5 FFBDRO O=C(Nc1ccnn1-c1ccc([N+](=O)[O-])cc1)C1CC[NH+](C2CC2)CC1 ZINC000192449805 509522789 /nfs/dbraw/zinc/52/27/89/509522789.db2.gz GKXNZWRRIUWPFR-UHFFFAOYSA-N 1 0 355.398 2.593 20 5 FFBDRO CC(C)[NH+](CCCNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])C(C)C ZINC000179600929 509531407 /nfs/dbraw/zinc/53/14/07/509531407.db2.gz DDGHHOMKEXKUIS-UHFFFAOYSA-N 1 0 363.505 2.981 20 5 FFBDRO CC[NH2+]CCNC(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 ZINC000236996106 509548131 /nfs/dbraw/zinc/54/81/31/509548131.db2.gz LJPMNHCYAVUWPP-UHFFFAOYSA-N 1 0 366.468 2.850 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1Cc2ccccc2C2(CC2)C1 ZINC000186159868 509552201 /nfs/dbraw/zinc/55/22/01/509552201.db2.gz IAKZODLQKASUHY-MRXNPFEDSA-N 1 0 354.406 2.882 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H](c2ccccc2)c2ccc(F)cc2)c1 ZINC000173368571 509556692 /nfs/dbraw/zinc/55/66/92/509556692.db2.gz ZWCLRCRIDRVHLF-RBUKOAKNSA-N 1 0 370.384 2.671 20 5 FFBDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000189416127 509565903 /nfs/dbraw/zinc/56/59/03/509565903.db2.gz FCTIDOPFZZNQQM-CQSZACIVSA-N 1 0 374.441 2.527 20 5 FFBDRO C[NH+](C)CCCOC1CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000267631981 509574570 /nfs/dbraw/zinc/57/45/70/509574570.db2.gz ORFUWUDIVVZTCH-UHFFFAOYSA-N 1 0 369.849 2.821 20 5 FFBDRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000165875826 509586911 /nfs/dbraw/zinc/58/69/11/509586911.db2.gz DKAHWPVRELUNFG-TVQRCGJNSA-N 1 0 356.220 2.699 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccc(Cn2cncn2)cc1 ZINC000264547231 509593544 /nfs/dbraw/zinc/59/35/44/509593544.db2.gz WMLOWJVBNRPQCA-UHFFFAOYSA-N 1 0 367.409 2.923 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2nnc(CN3CC[C@H]([NH+]4CCCCC4)C3)o2)cc1 ZINC000264559564 509600397 /nfs/dbraw/zinc/60/03/97/509600397.db2.gz FIEWSSZALNTKHC-INIZCTEOSA-N 1 0 357.414 2.705 20 5 FFBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000179775683 509617133 /nfs/dbraw/zinc/61/71/33/509617133.db2.gz GZVHHCVBGDQFQK-HNNXBMFYSA-N 1 0 351.447 2.607 20 5 FFBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000173596848 509665970 /nfs/dbraw/zinc/66/59/70/509665970.db2.gz BINXGDGZWNIACC-OAHLLOKOSA-N 1 0 373.457 2.517 20 5 FFBDRO Cc1ccc([C@H](C)NC(=O)c2ccnc(OCC[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000183225173 509666791 /nfs/dbraw/zinc/66/67/91/509666791.db2.gz PSAGLHHCHNYHEO-AWEZNQCLSA-N 1 0 372.425 2.730 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000170648239 509696761 /nfs/dbraw/zinc/69/67/61/509696761.db2.gz AIXZDUCSABUFRB-ZDUSSCGKSA-N 1 0 365.430 2.950 20 5 FFBDRO CCS[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000249515747 509700512 /nfs/dbraw/zinc/70/05/12/509700512.db2.gz QQIIHCDXQPDKOA-HYVNUMGLSA-N 1 0 354.472 2.988 20 5 FFBDRO CC(C)CS(=O)(=O)N1CCC([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000180020845 509713909 /nfs/dbraw/zinc/71/39/09/509713909.db2.gz GYCHKGOLOJPZLQ-CQSZACIVSA-N 1 0 369.487 2.696 20 5 FFBDRO CNC(=O)c1ccc(NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000192958408 509714463 /nfs/dbraw/zinc/71/44/63/509714463.db2.gz ABOFEYSWFLETRX-INIZCTEOSA-N 1 0 368.437 2.888 20 5 FFBDRO Cc1ccc(NCCCNC(=O)[C@@H]2[NH2+]CCc3ccccc32)c([N+](=O)[O-])c1 ZINC000237731907 509720346 /nfs/dbraw/zinc/72/03/46/509720346.db2.gz FTTLFGODYDIKRW-LJQANCHMSA-N 1 0 368.437 2.708 20 5 FFBDRO Cc1csc(Sc2ccc(C(=O)NCCCC[NH3+])cc2[N+](=O)[O-])n1 ZINC000237817856 509741859 /nfs/dbraw/zinc/74/18/59/509741859.db2.gz DCHSKMSKVJUCIZ-UHFFFAOYSA-N 1 0 366.468 2.980 20 5 FFBDRO C[NH+](C)Cc1ccnc(NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)c1 ZINC000176898060 509752243 /nfs/dbraw/zinc/75/22/43/509752243.db2.gz JUIKLJJWPHEMEC-UHFFFAOYSA-N 1 0 357.414 2.882 20 5 FFBDRO O=C(NCC[C@H]1CCC[NH2+]C1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237885544 509762076 /nfs/dbraw/zinc/76/20/76/509762076.db2.gz OIFBYEQBACESIY-GFCCVEGCSA-N 1 0 360.439 2.838 20 5 FFBDRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000237910982 509770908 /nfs/dbraw/zinc/77/09/08/509770908.db2.gz HXWPNPWHFGJUPS-WCQYABFASA-N 1 0 355.822 2.651 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000183419427 509777203 /nfs/dbraw/zinc/77/72/03/509777203.db2.gz IQDJHURTVTUIHQ-QZTJIDSGSA-N 1 0 356.422 2.945 20 5 FFBDRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000237993929 509793800 /nfs/dbraw/zinc/79/38/00/509793800.db2.gz WOBVNIHRWSTKJN-OCCSQVGLSA-N 1 0 360.439 2.966 20 5 FFBDRO C[NH+](C)C[C@@H]1CCCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000268225187 509822684 /nfs/dbraw/zinc/82/26/84/509822684.db2.gz XHYZCRMWYOSJNG-JTQLQIEISA-N 1 0 374.210 2.663 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCCN1C(=O)COc2ccccc21 ZINC000183512682 509834683 /nfs/dbraw/zinc/83/46/83/509834683.db2.gz ULHPCWJJUKLATF-UHFFFAOYSA-N 1 0 355.394 2.809 20 5 FFBDRO CC1(NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000193354568 509878098 /nfs/dbraw/zinc/87/80/98/509878098.db2.gz BDZSXMAUEOSKLK-UHFFFAOYSA-N 1 0 374.363 2.674 20 5 FFBDRO Cc1cccc([C@H](C)[NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000174009556 509901321 /nfs/dbraw/zinc/90/13/21/509901321.db2.gz JLMWXRKIKGYCEU-AWEZNQCLSA-N 1 0 363.439 2.532 20 5 FFBDRO C[C@H]([NH2+]CC(=O)NC(=O)N[C@H]1CCCC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000180418912 509917287 /nfs/dbraw/zinc/91/72/87/509917287.db2.gz XAMDHCMZXVOLFF-XEZPLFJOSA-N 1 0 362.430 2.650 20 5 FFBDRO COC(=O)[C@@H](C)[N@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)C1CCC1 ZINC000190081176 509927961 /nfs/dbraw/zinc/92/79/61/509927961.db2.gz AFNBHUYPKIIASW-CYBMUJFWSA-N 1 0 363.414 2.648 20 5 FFBDRO C[C@@H]1C[C@H](NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000177195592 509929968 /nfs/dbraw/zinc/92/99/68/509929968.db2.gz FYYSZQRVIJMAAW-YPMHNXCESA-N 1 0 367.833 2.759 20 5 FFBDRO CC(C)N(C(=O)[C@@H](C)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)C(C)C ZINC000245440585 509936221 /nfs/dbraw/zinc/93/62/21/509936221.db2.gz GPDZTUYYFUHXDI-HUUCEWRRSA-N 1 0 363.462 2.510 20 5 FFBDRO COCCC[NH+]1CCC(NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000171097945 509941297 /nfs/dbraw/zinc/94/12/97/509941297.db2.gz MHFIYBXAWZHRNR-UHFFFAOYSA-N 1 0 370.837 2.871 20 5 FFBDRO O=C(NC1CC[NH+](C2CCCCC2)CC1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000177252821 509961004 /nfs/dbraw/zinc/96/10/04/509961004.db2.gz JHLPKOKYGVXDNH-UHFFFAOYSA-N 1 0 371.441 2.998 20 5 FFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)C[C@H]1CCCOC1 ZINC000245499865 509969128 /nfs/dbraw/zinc/96/91/28/509969128.db2.gz YZLQZYWBUYMXHB-VXGBXAGGSA-N 1 0 355.822 2.934 20 5 FFBDRO CC[NH+](CC)[C@H]1CCN(C(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])C1 ZINC000174155385 509974037 /nfs/dbraw/zinc/97/40/37/509974037.db2.gz COOLZAHQCPYNCB-LBPRGKRZSA-N 1 0 367.471 2.882 20 5 FFBDRO COCCC[NH+]1CCC(Nc2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000268506095 509975967 /nfs/dbraw/zinc/97/59/67/509975967.db2.gz USKIRUMLYRRVII-UHFFFAOYSA-N 1 0 373.251 2.665 20 5 FFBDRO Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)cccc1[N+](=O)[O-] ZINC000193585298 509978682 /nfs/dbraw/zinc/97/86/82/509978682.db2.gz HRJHVDMHXYCTFB-CQSZACIVSA-N 1 0 357.414 2.835 20 5 FFBDRO CC[N@H+](C)Cc1cccc(CNc2ncc(C(=O)OC)cc2[N+](=O)[O-])c1 ZINC000190169572 509983257 /nfs/dbraw/zinc/98/32/57/509983257.db2.gz ZOGUQZZOSJMWAE-UHFFFAOYSA-N 1 0 358.398 2.840 20 5 FFBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2Br)C1 ZINC000180578603 509996015 /nfs/dbraw/zinc/99/60/15/509996015.db2.gz LIBXRLXZMIIESO-NSHDSACASA-N 1 0 370.247 2.771 20 5 FFBDRO C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)[C@H](C[NH3+])C1 ZINC000261648895 510013757 /nfs/dbraw/zinc/01/37/57/510013757.db2.gz BERBLIANZKRPAS-KOLCDFICSA-N 1 0 356.220 2.557 20 5 FFBDRO CC(=O)c1ccc(Sc2nnc(C3CC[NH2+]CC3)n2C)c([N+](=O)[O-])c1 ZINC000265374549 510020514 /nfs/dbraw/zinc/02/05/14/510020514.db2.gz BBGQYJXXYXZVIT-UHFFFAOYSA-N 1 0 361.427 2.544 20 5 FFBDRO CC[NH+](CC)[C@@H](CNC(=O)c1c(N)cccc1[N+](=O)[O-])Cc1ccccc1 ZINC000180645390 510031251 /nfs/dbraw/zinc/03/12/51/510031251.db2.gz RJDQUFRHRYDPGT-MRXNPFEDSA-N 1 0 370.453 2.860 20 5 FFBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000180647551 510032289 /nfs/dbraw/zinc/03/22/89/510032289.db2.gz AOIDQTSOUFAEQG-OAHLLOKOSA-N 1 0 354.410 2.571 20 5 FFBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000265443704 510057367 /nfs/dbraw/zinc/05/73/67/510057367.db2.gz AGUFLYAOXWNGMB-OLZOCXBDSA-N 1 0 368.865 2.849 20 5 FFBDRO C[NH2+][C@@H](C)CNC(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 ZINC000261808353 510072522 /nfs/dbraw/zinc/07/25/22/510072522.db2.gz SJANFYYJDKJIFE-VIFPVBQESA-N 1 0 366.468 2.849 20 5 FFBDRO O=[N+]([O-])c1ccc(CN2CCCN(c3nccs3)CC2)c([N+](=O)[O-])c1 ZINC000193799307 510076456 /nfs/dbraw/zinc/07/64/56/510076456.db2.gz RGDDVOWYLYZOCF-UHFFFAOYSA-N 1 0 363.399 2.672 20 5 FFBDRO O=C(CC1([NH+]2CCOCC2)CCCC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000265502171 510087852 /nfs/dbraw/zinc/08/78/52/510087852.db2.gz ZMMHJLBUQPLGBM-UHFFFAOYSA-N 1 0 359.426 2.519 20 5 FFBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261884672 510100780 /nfs/dbraw/zinc/10/07/80/510100780.db2.gz YXNNTHLWLVRLCL-UAGQMJEPSA-N 1 0 368.437 2.596 20 5 FFBDRO C[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(-n2cccn2)cc1 ZINC000180816993 510124867 /nfs/dbraw/zinc/12/48/67/510124867.db2.gz BUNHOXDZMMHPPH-CYBMUJFWSA-N 1 0 365.393 2.730 20 5 FFBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)N2CCO[C@H]3CCCC[C@H]32)cc1[N+](=O)[O-] ZINC000245836862 510160071 /nfs/dbraw/zinc/16/00/71/510160071.db2.gz BKMRJZMWGMARPF-LESCRADOSA-N 1 0 361.442 2.724 20 5 FFBDRO CCN(C(=O)c1cccc([N+](=O)[O-])c1N)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000184176560 510175622 /nfs/dbraw/zinc/17/56/22/510175622.db2.gz HKJAVGPMJRXDNI-MRXNPFEDSA-N 1 0 368.437 2.914 20 5 FFBDRO COc1ccc(NC(=O)CC[NH+]2CC(C)(C)OC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000190539521 510192302 /nfs/dbraw/zinc/19/23/02/510192302.db2.gz SZLUQPWVXUMWRC-UHFFFAOYSA-N 1 0 365.430 2.821 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC[C@H](Nc3ccccc3)C2)c1 ZINC000246021973 510254507 /nfs/dbraw/zinc/25/45/07/510254507.db2.gz PEFMUNWZNDACBX-FUHWJXTLSA-N 1 0 357.410 2.521 20 5 FFBDRO COc1cc(C[N@H+](C)C[C@@H]2CCC[C@H]2O)c([N+](=O)[O-])cc1OCC(F)F ZINC000246037549 510258461 /nfs/dbraw/zinc/25/84/61/510258461.db2.gz WSBZJWCEBIFDBD-SMDDNHRTSA-N 1 0 374.384 2.840 20 5 FFBDRO COc1cc(C[NH2+][C@H]2CCO[C@@]3(CCSC3)C2)c([N+](=O)[O-])cc1OC ZINC000269152071 510259795 /nfs/dbraw/zinc/25/97/95/510259795.db2.gz QEPZMJCLINMSTL-GUYCJALGSA-N 1 0 368.455 2.756 20 5 FFBDRO CC(C)[C@H](CNc1ccc2ncccc2c1[N+](=O)[O-])[NH+]1CCN(C)CC1 ZINC000194262607 510284635 /nfs/dbraw/zinc/28/46/35/510284635.db2.gz HWROSQFWMIMGEG-SFHVURJKSA-N 1 0 357.458 2.827 20 5 FFBDRO CC(C)(C)OC(=O)N[C@@H]1CCCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000190731905 510314125 /nfs/dbraw/zinc/31/41/25/510314125.db2.gz MISDRGJQTNXAOT-GDBMZVCRSA-N 1 0 365.430 2.617 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2noc(CN3CCC[C@H]3C[NH+]3CCCC3)n2)cc1 ZINC000171708522 510322778 /nfs/dbraw/zinc/32/27/78/510322778.db2.gz RWWHAWRROUHBJA-INIZCTEOSA-N 1 0 357.414 2.705 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000181385708 510384916 /nfs/dbraw/zinc/38/49/16/510384916.db2.gz CJFCRHZXDXHAMN-UHFFFAOYSA-N 1 0 369.487 2.564 20 5 FFBDRO CC[N@H+](C)Cc1cccc(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000171952943 510469899 /nfs/dbraw/zinc/46/98/99/510469899.db2.gz LHNWZXYHJNHXTP-UHFFFAOYSA-N 1 0 363.439 2.525 20 5 FFBDRO COC(=O)C1CC[NH+](CCCNc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000269608045 510481911 /nfs/dbraw/zinc/48/19/11/510481911.db2.gz DCRSZRKIEXLMSD-UHFFFAOYSA-N 1 0 357.357 2.560 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000194693663 510482543 /nfs/dbraw/zinc/48/25/43/510482543.db2.gz NPHGDBOFDHZQJM-UHFFFAOYSA-N 1 0 361.442 2.668 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)[NH2+]Cc2ccc(OCC3CC3)cc2)cc1 ZINC000191081446 510494905 /nfs/dbraw/zinc/49/49/05/510494905.db2.gz ODXBJTZUMXTNSD-WOJBJXKFSA-N 1 0 372.421 2.568 20 5 FFBDRO CC1CCN(c2ccc(C(=O)NC[C@H]3CCC[N@@H+]3C)cc2[N+](=O)[O-])CC1 ZINC000194730664 510499208 /nfs/dbraw/zinc/49/92/08/510499208.db2.gz ZEQGYVRVXQTSMD-MRXNPFEDSA-N 1 0 360.458 2.655 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181679759 510536216 /nfs/dbraw/zinc/53/62/16/510536216.db2.gz REVOTNQRWSFJCU-KBPBESRZSA-N 1 0 361.442 2.986 20 5 FFBDRO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000175306932 510580638 /nfs/dbraw/zinc/58/06/38/510580638.db2.gz OZLPDOYMVQRPQU-GFCCVEGCSA-N 1 0 368.340 2.674 20 5 FFBDRO COc1ccc(C[NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)cc1O ZINC000178409223 510588553 /nfs/dbraw/zinc/58/85/53/510588553.db2.gz IGNJPYVHPIEAQH-LBPRGKRZSA-N 1 0 359.382 2.816 20 5 FFBDRO CCN(CCC[NH+]1CCCC1)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000188105959 510595935 /nfs/dbraw/zinc/59/59/35/510595935.db2.gz STTUZSVFWCVZPD-UHFFFAOYSA-N 1 0 371.441 2.729 20 5 FFBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)N2CCO[C@H]3CCCC[C@@H]32)cc1[N+](=O)[O-] ZINC000181808804 510604449 /nfs/dbraw/zinc/60/44/49/510604449.db2.gz BKMRJZMWGMARPF-ZVZYQTTQSA-N 1 0 361.442 2.724 20 5 FFBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)NC(=O)NC2CCCCC2)cc1[N+](=O)[O-] ZINC000181833462 510618064 /nfs/dbraw/zinc/61/80/64/510618064.db2.gz SYGOHYLIZWBDPO-CYBMUJFWSA-N 1 0 362.430 2.712 20 5 FFBDRO C[C@H](CCNC(=O)c1ccc([N+](=O)[O-])c([O-])c1)[N@H+](C)Cc1ccccc1 ZINC000175386072 510619580 /nfs/dbraw/zinc/61/95/80/510619580.db2.gz DGQCWWGDHDMWNB-CQSZACIVSA-N 1 0 357.410 2.941 20 5 FFBDRO O=C(NC1CC[NH+](CCc2ccccc2)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000181879907 510638657 /nfs/dbraw/zinc/63/86/57/510638657.db2.gz UCYOMRPVODOVAZ-UHFFFAOYSA-N 1 0 369.421 2.737 20 5 FFBDRO CC(C)([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(C(F)(F)F)c1 ZINC000266526896 510639816 /nfs/dbraw/zinc/63/98/16/510639816.db2.gz KNZCFEBOELWCOW-CQSZACIVSA-N 1 0 372.347 2.696 20 5 FFBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CC)CCC[NH+]1CCCC1 ZINC000188261874 510675834 /nfs/dbraw/zinc/67/58/34/510675834.db2.gz NWUNCNNKCXWVMY-UHFFFAOYSA-N 1 0 369.487 2.654 20 5 FFBDRO COc1ccc([C@H]2CCCCC[N@@H+]2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000246801911 510682889 /nfs/dbraw/zinc/68/28/89/510682889.db2.gz VNMKFJPFVAOCNP-IEBWSBKVSA-N 1 0 374.441 2.778 20 5 FFBDRO COc1ccc(OCC[N@H+](CCO)Cc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000181970227 510684869 /nfs/dbraw/zinc/68/48/69/510684869.db2.gz WMGSMCUFLVPGQT-UHFFFAOYSA-N 1 0 360.410 2.785 20 5 FFBDRO C[C@H]([NH2+][C@H]1CC(=O)N(CCOc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000178658653 510707633 /nfs/dbraw/zinc/70/76/33/510707633.db2.gz WESHMRAWRWGPEA-RDJZCZTQSA-N 1 0 369.421 2.925 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCOC2(C1)CCCCCC2 ZINC000182020866 510713357 /nfs/dbraw/zinc/71/33/57/510713357.db2.gz ZYLQALYBWWSVLI-INIZCTEOSA-N 1 0 364.442 2.760 20 5 FFBDRO C[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1ccc(-n2ccnn2)cc1 ZINC000182020864 510714433 /nfs/dbraw/zinc/71/44/33/510714433.db2.gz HYHIMOOOZCLKHU-CQSZACIVSA-N 1 0 353.382 2.905 20 5 FFBDRO O=C(Nc1ccccc1C[NH+]1CCC(O)CC1)c1csc([N+](=O)[O-])c1 ZINC000182061970 510735348 /nfs/dbraw/zinc/73/53/48/510735348.db2.gz GJNUGZONSBRAOY-UHFFFAOYSA-N 1 0 361.423 2.865 20 5 FFBDRO O=C(c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195259327 510742737 /nfs/dbraw/zinc/74/27/37/510742737.db2.gz NDWRKFRNZWPZSJ-GASCZTMLSA-N 1 0 352.394 2.630 20 5 FFBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CC[NH2+][C@H](C)C2)cc1 ZINC000188405259 510749818 /nfs/dbraw/zinc/74/98/18/510749818.db2.gz KDKNMEVHUBDXGY-CYBMUJFWSA-N 1 0 371.393 2.830 20 5 FFBDRO CC(C)(C)OC(=O)CCC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000182179522 510798081 /nfs/dbraw/zinc/79/80/81/510798081.db2.gz DQZMRHVJWLVXJL-ZDUSSCGKSA-N 1 0 350.419 2.598 20 5 FFBDRO C[C@@H]([NH3+])C1CCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000178869410 510812857 /nfs/dbraw/zinc/81/28/57/510812857.db2.gz XAGCEGFKLQEMHW-LLVKDONJSA-N 1 0 360.439 2.918 20 5 FFBDRO CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000182205278 510813046 /nfs/dbraw/zinc/81/30/46/510813046.db2.gz CMWVWFOPRVAKOI-GUYCJALGSA-N 1 0 373.409 2.644 20 5 FFBDRO CC[N@@H+]1CC[C@@H](CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000182310529 510847894 /nfs/dbraw/zinc/84/78/94/510847894.db2.gz ZFZUGZPRSDHBBG-NSHDSACASA-N 1 0 357.863 2.798 20 5 FFBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000247277509 510855032 /nfs/dbraw/zinc/85/50/32/510855032.db2.gz XBPQWHLJSFMMEP-GXFFZTMASA-N 1 0 370.247 2.770 20 5 FFBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000247310570 510856469 /nfs/dbraw/zinc/85/64/69/510856469.db2.gz HLKBCJFEBOYTGU-IINYFYTJSA-N 1 0 370.247 2.770 20 5 FFBDRO C[NH2+]C[C@@H]1CCN(C(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC000247331480 510857379 /nfs/dbraw/zinc/85/73/79/510857379.db2.gz VBKKAVANVGSPGJ-OAGGEKHMSA-N 1 0 374.485 2.759 20 5 FFBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1OC ZINC000247496853 510863400 /nfs/dbraw/zinc/86/34/00/510863400.db2.gz UQPCNJFDTCBWLH-STQMWFEESA-N 1 0 365.430 2.557 20 5 FFBDRO O=C(NC1CC[NH+](C2CCC2)CC1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000297331306 510904784 /nfs/dbraw/zinc/90/47/84/510904784.db2.gz ZWFKVDJMLULEIG-UHFFFAOYSA-N 1 0 354.410 2.890 20 5 FFBDRO COc1cc(C[N@@H+]2CCC[C@](CO)(C(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000294028918 510935056 /nfs/dbraw/zinc/93/50/56/510935056.db2.gz OBMYEXVPPRXFOY-SFHVURJKSA-N 1 0 352.431 2.843 20 5 FFBDRO O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CCCC2(CC[NH2+]CC2)C1 ZINC000364567559 510943918 /nfs/dbraw/zinc/94/39/18/510943918.db2.gz ZMYVQIKNCBJCEC-UHFFFAOYSA-N 1 0 372.469 2.801 20 5 FFBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000285568318 510960274 /nfs/dbraw/zinc/96/02/74/510960274.db2.gz NPORACAFCXIRJX-XJKSGUPXSA-N 1 0 357.414 2.703 20 5 FFBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000282428769 510973811 /nfs/dbraw/zinc/97/38/11/510973811.db2.gz JWWZOMVXTZNSCD-CYBMUJFWSA-N 1 0 359.348 2.811 20 5 FFBDRO Cn1ccnc1[C@@H](NCc1ncnn1C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000282438095 510977625 /nfs/dbraw/zinc/97/76/25/510977625.db2.gz FQZMKYREUQIRAU-INIZCTEOSA-N 1 0 369.429 2.554 20 5 FFBDRO COc1ccc(NC(=O)CC[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000297702926 511040396 /nfs/dbraw/zinc/04/03/96/511040396.db2.gz AVCIOPUDOSADIB-DOTOQJQBSA-N 1 0 363.414 2.575 20 5 FFBDRO COc1cc(C(=O)N(CC(C)C)C2CC[NH+](C)CC2)c([N+](=O)[O-])cc1F ZINC000297853773 511089457 /nfs/dbraw/zinc/08/94/57/511089457.db2.gz SELQKBCEFBWEFU-UHFFFAOYSA-N 1 0 367.421 2.935 20 5 FFBDRO COc1cc(C(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000294648385 511131393 /nfs/dbraw/zinc/13/13/93/511131393.db2.gz VLSSCFLMBRFZRJ-NEPJUHHUSA-N 1 0 353.394 2.593 20 5 FFBDRO CC(=O)Nc1c[nH]nc1[C@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000364883664 511132015 /nfs/dbraw/zinc/13/20/15/511132015.db2.gz UYMGBLPGOPQIGE-AWEZNQCLSA-N 1 0 373.413 2.535 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ccc(CN3CCOC[C@H](O)C3)o2)c(Cl)c1 ZINC000294679607 511141170 /nfs/dbraw/zinc/14/11/70/511141170.db2.gz BLCMWQFTBFAFGU-GFCCVEGCSA-N 1 0 352.774 2.701 20 5 FFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCN2CCC(O)CC2)s1 ZINC000294718617 511153639 /nfs/dbraw/zinc/15/36/39/511153639.db2.gz ASIXBDLLYFSOIP-UHFFFAOYSA-N 1 0 361.467 2.870 20 5 FFBDRO O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000294729427 511158815 /nfs/dbraw/zinc/15/88/15/511158815.db2.gz NGNVTKAZKDOQCR-MRXNPFEDSA-N 1 0 369.425 2.685 20 5 FFBDRO C[C@@H]1C[C@H](NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000295140371 511296464 /nfs/dbraw/zinc/29/64/64/511296464.db2.gz OLZADTSOGNCDQA-KOLCDFICSA-N 1 0 357.332 2.969 20 5 FFBDRO COc1ccccc1COC[C@@H](O)C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000271727465 511302142 /nfs/dbraw/zinc/30/21/42/511302142.db2.gz MIEPPAYUKWBYEN-HOCLYGCPSA-N 1 0 360.410 2.832 20 5 FFBDRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000291785003 511336596 /nfs/dbraw/zinc/33/65/96/511336596.db2.gz FYRXZCRTJMUUKX-OAHLLOKOSA-N 1 0 362.474 2.656 20 5 FFBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C1 ZINC000295372926 511381775 /nfs/dbraw/zinc/38/17/75/511381775.db2.gz RVXTVXPZFHUCSX-AWEZNQCLSA-N 1 0 371.441 2.789 20 5 FFBDRO O=C(NC1CC([NH+]2CCCCC2)C1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000365408006 511432134 /nfs/dbraw/zinc/43/21/34/511432134.db2.gz AKDPHWKBFIUMTB-UHFFFAOYSA-N 1 0 369.425 2.527 20 5 FFBDRO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CC[N@@H+](C2CC2)C1 ZINC000295757001 511506830 /nfs/dbraw/zinc/50/68/30/511506830.db2.gz VMGXATLJYHZHAR-OAHLLOKOSA-N 1 0 372.469 2.751 20 5 FFBDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000299086639 511509874 /nfs/dbraw/zinc/50/98/74/511509874.db2.gz SWHGESNOULEQPW-HZPDHXFCSA-N 1 0 358.442 2.552 20 5 FFBDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)c3cc([N+](=O)[O-])ccc3Br)C2)C1 ZINC000292236700 511516291 /nfs/dbraw/zinc/51/62/91/511516291.db2.gz NWVFHCXYZHMHAC-OAHLLOKOSA-N 1 0 368.231 2.525 20 5 FFBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000295845535 511532650 /nfs/dbraw/zinc/53/26/50/511532650.db2.gz WUEMOPJBRWJASL-RHSMWYFYSA-N 1 0 359.426 2.643 20 5 FFBDRO COC(=O)c1cc(C)nc(N2CCC[C@H]2C[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000283888108 511533780 /nfs/dbraw/zinc/53/37/80/511533780.db2.gz VMUNHTOSXNCKCK-AWEZNQCLSA-N 1 0 362.430 2.540 20 5 FFBDRO CCC(=O)c1ccc(NC[C@H](C)CN2CC[NH+](CC)CC2)c([N+](=O)[O-])c1 ZINC000280631912 511540804 /nfs/dbraw/zinc/54/08/04/511540804.db2.gz CKHYYJQEFACTQR-HNNXBMFYSA-N 1 0 362.474 2.873 20 5 FFBDRO CC(C)[N@@H+]1CCCN([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000292324513 511553733 /nfs/dbraw/zinc/55/37/33/511553733.db2.gz BPWNPPDWTTXLNY-ZDUSSCGKSA-N 1 0 368.865 2.991 20 5 FFBDRO CC[C@H](C)[NH+]1CCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000295935915 511560429 /nfs/dbraw/zinc/56/04/29/511560429.db2.gz GIEBRTRNCSSIMI-LBPRGKRZSA-N 1 0 354.838 2.603 20 5 FFBDRO CC[C@@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CC1 ZINC000295945856 511564228 /nfs/dbraw/zinc/56/42/28/511564228.db2.gz IFNISOMDLSQWSZ-OAHLLOKOSA-N 1 0 360.458 2.751 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1CCCc3c1cnn3CCO)CCC2 ZINC000365715401 511616379 /nfs/dbraw/zinc/61/63/79/511616379.db2.gz NGVBCLICMRVJJK-QZTJIDSGSA-N 1 0 356.426 2.828 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2noc(C[NH2+][C@@H]3[C@H]4CCO[C@@H]4C34CCC4)n2)cc1 ZINC000296099345 511619004 /nfs/dbraw/zinc/61/90/04/511619004.db2.gz QWUQFFCCUWQRIA-BMFZPTHFSA-N 1 0 356.382 2.692 20 5 FFBDRO O=C(CC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)Nc1cc([N+](=O)[O-])ccc1F ZINC000296168863 511642098 /nfs/dbraw/zinc/64/20/98/511642098.db2.gz UWVGATPUBSSICT-VUCTXSBTSA-N 1 0 363.389 2.610 20 5 FFBDRO CCOCCC[N@@H+]1CC[C@H](N[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000284217796 511646296 /nfs/dbraw/zinc/64/62/96/511646296.db2.gz TUDLWNLDNCTKQN-VKJFTORMSA-N 1 0 364.490 2.965 20 5 FFBDRO Cn1nccc1CCN1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000284327952 511685118 /nfs/dbraw/zinc/68/51/18/511685118.db2.gz BKDBUOJSCLPKHQ-UHFFFAOYSA-N 1 0 365.231 2.692 20 5 FFBDRO C[N@@H+]1CC[C@@H]2OCCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)[C@@H]2C1 ZINC000284521967 511757796 /nfs/dbraw/zinc/75/77/96/511757796.db2.gz FPXOQCPTWFDTIP-MJGOQNOKSA-N 1 0 357.410 2.760 20 5 FFBDRO CC1(C)[C@H]([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H]2CCO[C@@H]21 ZINC000296477805 511760219 /nfs/dbraw/zinc/76/02/19/511760219.db2.gz YEKASMLYMYNZJG-VQISRLSMSA-N 1 0 353.806 2.590 20 5 FFBDRO Cc1cc(OCC(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000281215268 511761855 /nfs/dbraw/zinc/76/18/55/511761855.db2.gz BXCPCCVMBKVHIM-INIZCTEOSA-N 1 0 361.442 2.616 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)n1 ZINC000312597586 511786647 /nfs/dbraw/zinc/78/66/47/511786647.db2.gz FIHSRZPESIZCOC-UKRRQHHQSA-N 1 0 370.409 2.851 20 5 FFBDRO C[C@@H]1CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+](C2CC2)C1 ZINC000296699623 511860621 /nfs/dbraw/zinc/86/06/21/511860621.db2.gz KTXZQYQRQITJRK-GFCCVEGCSA-N 1 0 366.849 2.603 20 5 FFBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H](O)COCc2ccccc2Cl)cc1 ZINC000326687261 511861188 /nfs/dbraw/zinc/86/11/88/511861188.db2.gz QAQQOXQVXPCKEL-QGZVFWFLSA-N 1 0 364.829 2.958 20 5 FFBDRO Cc1ccc([C@@H](C)NC(=O)Nc2ccnn2CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000296710910 511865894 /nfs/dbraw/zinc/86/58/94/511865894.db2.gz ATIRYSHAQFVIBC-CYBMUJFWSA-N 1 0 360.418 2.544 20 5 FFBDRO CCCc1n[nH]c(C(=O)NCc2ccc(-n3ccnc3)c(F)c2)c1[N+](=O)[O-] ZINC000364012711 511905306 /nfs/dbraw/zinc/90/53/06/511905306.db2.gz QWXWRJZKRNMFEC-UHFFFAOYSA-N 1 0 372.360 2.525 20 5 FFBDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1c1nccc2cc([N+](=O)[O-])ccc21 ZINC000296908409 511945995 /nfs/dbraw/zinc/94/59/95/511945995.db2.gz ZUPALLUBXZKRBQ-CQSZACIVSA-N 1 0 356.426 2.833 20 5 FFBDRO CCn1ccnc1[C@H]1CCCCN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000281930310 512015070 /nfs/dbraw/zinc/01/50/70/512015070.db2.gz VYTWZFUQMUHTIK-CYBMUJFWSA-N 1 0 372.381 2.907 20 5 FFBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@@H]2CCO[C@]3(CCOC3)C2)c1 ZINC000360063016 512070171 /nfs/dbraw/zinc/07/01/71/512070171.db2.gz XNPXYOOHSOKTSH-MLGOLLRUSA-N 1 0 358.341 2.624 20 5 FFBDRO C[C@@H]1C[NH+](CC2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)C[C@@H](C)O1 ZINC000364410175 512107322 /nfs/dbraw/zinc/10/73/22/512107322.db2.gz AUQMELSEKPGYKE-HUUCEWRRSA-N 1 0 361.442 2.556 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(CC(=O)NCCC[NH+]2CCC(C)CC2)c1F ZINC000411193689 512514140 /nfs/dbraw/zinc/51/41/40/512514140.db2.gz SSZDKNNGAIUSCS-UHFFFAOYSA-N 1 0 367.421 2.523 20 5 FFBDRO CN1CCC([N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])c4cccnc34)C2)CC1 ZINC000367517297 512539093 /nfs/dbraw/zinc/53/90/93/512539093.db2.gz KWCRFFPMYHYKAU-AWEZNQCLSA-N 1 0 355.442 2.723 20 5 FFBDRO COc1ccc(NC(=O)CC[N@@H+]2CCS[C@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000411283156 512561857 /nfs/dbraw/zinc/56/18/57/512561857.db2.gz YNWNCYDEWCXVSO-NWDGAFQWSA-N 1 0 353.444 2.758 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c1 ZINC000373942514 512584097 /nfs/dbraw/zinc/58/40/97/512584097.db2.gz HBGFQVZRSKPCQY-CVEARBPZSA-N 1 0 361.442 2.615 20 5 FFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCc2c1cnn2CCO ZINC000378162981 512619898 /nfs/dbraw/zinc/61/98/98/512619898.db2.gz BJPDEZKEUKFQOK-RHSMWYFYSA-N 1 0 358.442 2.772 20 5 FFBDRO C[C@@H]1C[C@]2(CCO1)C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C[C@H](C)O2 ZINC000374028779 512630370 /nfs/dbraw/zinc/63/03/70/512630370.db2.gz STDQRVLSKWVZOQ-RVKKMQEKSA-N 1 0 350.415 2.632 20 5 FFBDRO C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)CC[N@@H+]1Cc1ccccc1 ZINC000372014421 512678997 /nfs/dbraw/zinc/67/89/97/512678997.db2.gz YCBGZJWMYHDXRX-OAHLLOKOSA-N 1 0 354.410 2.726 20 5 FFBDRO COC(=O)[C@]1(C)C[N@@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1C ZINC000374373647 512798486 /nfs/dbraw/zinc/79/84/86/512798486.db2.gz IVEGPSZFKWUCFZ-FTLABTOESA-N 1 0 374.397 2.837 20 5 FFBDRO C[N@@H+]1CCCC12CCN(C(=O)CCCNc1ccc([N+](=O)[O-])cc1)CC2 ZINC000378518271 512802314 /nfs/dbraw/zinc/80/23/14/512802314.db2.gz KJRLCGBFBFOXIN-UHFFFAOYSA-N 1 0 360.458 2.874 20 5 FFBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1cccc2c1C[N@@H+](C1CC1)C2 ZINC000378526823 512807947 /nfs/dbraw/zinc/80/79/47/512807947.db2.gz ABHQDMNYGVPYFU-UHFFFAOYSA-N 1 0 355.398 2.607 20 5 FFBDRO O=C(c1cccc([N+](=O)[O-])c1Br)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000376543093 512865329 /nfs/dbraw/zinc/86/53/29/512865329.db2.gz WBDDCWGBBQTJGA-NSHDSACASA-N 1 0 368.231 2.668 20 5 FFBDRO C[C@H]1[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC[N@@H+]1Cc1ccccc1 ZINC000383835696 512881499 /nfs/dbraw/zinc/88/14/99/512881499.db2.gz SXBJJCHULPGTKW-BLLLJJGKSA-N 1 0 372.400 2.709 20 5 FFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC1CC([NH+]2CCCCC2)C1 ZINC000376600665 512893069 /nfs/dbraw/zinc/89/30/69/512893069.db2.gz VHKMTMWEBUZBGH-UHFFFAOYSA-N 1 0 351.834 2.924 20 5 FFBDRO O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000368386172 512923978 /nfs/dbraw/zinc/92/39/78/512923978.db2.gz VAEDVGSRDLNRHQ-JSGCOSHPSA-N 1 0 358.423 2.542 20 5 FFBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)C[C@@H]21 ZINC000374625362 512924359 /nfs/dbraw/zinc/92/43/59/512924359.db2.gz SSHGHRKQBQAXRO-VHDGCEQUSA-N 1 0 372.450 2.918 20 5 FFBDRO COc1cc(C[N@@H+]2CCC[C@H](CO)[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000412074662 512945898 /nfs/dbraw/zinc/94/58/98/512945898.db2.gz IOZDLDAEMQODJV-NWDGAFQWSA-N 1 0 374.384 2.840 20 5 FFBDRO C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000412214345 512999537 /nfs/dbraw/zinc/99/95/37/512999537.db2.gz GHQYQPGQECJZFR-ZGXWSNOMSA-N 1 0 365.433 2.912 20 5 FFBDRO C[N@@H+]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)[C@@H](c2ccccc2)C1 ZINC000412214343 513000157 /nfs/dbraw/zinc/00/01/57/513000157.db2.gz GHQYQPGQECJZFR-NMLBUPMWSA-N 1 0 365.433 2.912 20 5 FFBDRO C[C@@H](NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000412229581 513005061 /nfs/dbraw/zinc/00/50/61/513005061.db2.gz HSBCBGZSBVERME-UKRRQHHQSA-N 1 0 363.483 2.990 20 5 FFBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC000412351194 513050166 /nfs/dbraw/zinc/05/01/66/513050166.db2.gz ANIQCFRQEVXBOU-GFCCVEGCSA-N 1 0 355.410 2.522 20 5 FFBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)[C@@H]2C1 ZINC000374918557 513072431 /nfs/dbraw/zinc/07/24/31/513072431.db2.gz SJQHOKSZOQACML-MLGOLLRUSA-N 1 0 372.450 2.885 20 5 FFBDRO CC(C)[C@H](CC(F)(F)F)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000445888885 513138747 /nfs/dbraw/zinc/13/87/47/513138747.db2.gz XQILDDVKGPIPCF-OCCSQVGLSA-N 1 0 350.337 2.901 20 5 FFBDRO CC(C)c1n[nH]c(C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000433832097 513162620 /nfs/dbraw/zinc/16/26/20/513162620.db2.gz HGRMBDUQAIETPA-STQMWFEESA-N 1 0 351.451 2.539 20 5 FFBDRO C[C@H]1C[NH+](CCCCNc2nccc3c2cccc3[N+](=O)[O-])C[C@H](C)O1 ZINC000450373562 513164507 /nfs/dbraw/zinc/16/45/07/513164507.db2.gz CSHDRCBVOAJXMQ-GJZGRUSLSA-N 1 0 358.442 2.866 20 5 FFBDRO C[C@H]1CN(c2nccc3cc([N+](=O)[O-])ccc32)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000450404053 513179963 /nfs/dbraw/zinc/17/99/63/513179963.db2.gz BTJDDZVJDVYPRB-HNAYVOBHSA-N 1 0 369.469 2.605 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000439914363 513209784 /nfs/dbraw/zinc/20/97/84/513209784.db2.gz XSQYPTSVAXAXHC-INIZCTEOSA-N 1 0 368.459 2.552 20 5 FFBDRO C[C@@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000428959522 513232924 /nfs/dbraw/zinc/23/29/24/513232924.db2.gz YDTSWUVZSIQEKI-WOPDTQHZSA-N 1 0 355.822 2.520 20 5 FFBDRO CC[NH+](CC)CCOC1CCN(C(=O)c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000446312703 513234913 /nfs/dbraw/zinc/23/49/13/513234913.db2.gz OOJNFNOLELYRJM-UHFFFAOYSA-N 1 0 363.458 2.866 20 5 FFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000428997147 513247054 /nfs/dbraw/zinc/24/70/54/513247054.db2.gz RYVYKWQUXBKSLB-BASYENTBSA-N 1 0 360.458 2.584 20 5 FFBDRO O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000415443102 513263468 /nfs/dbraw/zinc/26/34/68/513263468.db2.gz QPTQZDMNUMOTTQ-JOYOIKCWSA-N 1 0 358.320 2.829 20 5 FFBDRO CC(C)C[C@@H](C[NH+]1CCCC1)Nc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000450590274 513264625 /nfs/dbraw/zinc/26/46/25/513264625.db2.gz DIGGCYBLDYUAOV-ZDUSSCGKSA-N 1 0 359.430 2.588 20 5 FFBDRO COc1ccc(OCCN2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000429046933 513267748 /nfs/dbraw/zinc/26/77/48/513267748.db2.gz XZRLEYMNYUZBCT-HLLBOEOZSA-N 1 0 363.458 2.644 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000429137210 513288148 /nfs/dbraw/zinc/28/81/48/513288148.db2.gz ROZHGLSVHYUDEP-UHIISALHSA-N 1 0 355.822 2.601 20 5 FFBDRO CC(C)[C@H]([NH3+])CNC(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000429152589 513291878 /nfs/dbraw/zinc/29/18/78/513291878.db2.gz XDBSQSAIGCVLOB-IJEWVQPXSA-N 1 0 362.474 2.790 20 5 FFBDRO CSC[C@@H]1CCC[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000429279139 513324742 /nfs/dbraw/zinc/32/47/42/513324742.db2.gz KJRCMQTUKAIPOS-CYBMUJFWSA-N 1 0 365.455 2.968 20 5 FFBDRO CCC1(CC)[C@H]([NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@H]1OC ZINC000429284605 513325916 /nfs/dbraw/zinc/32/59/16/513325916.db2.gz KXXPJUMMLFOTLL-IAGOWNOFSA-N 1 0 361.442 2.667 20 5 FFBDRO CCC1(CC)[C@H]([NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@@H](C)[C@@H]1OC ZINC000429292041 513332395 /nfs/dbraw/zinc/33/23/95/513332395.db2.gz HTSIRZOWCTYXOO-XWIAVFTESA-N 1 0 363.458 2.987 20 5 FFBDRO Cn1c(CC[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)nc2ccccc21 ZINC000440494250 513334500 /nfs/dbraw/zinc/33/45/00/513334500.db2.gz IGMNQVXQJNMFDF-CQSZACIVSA-N 1 0 366.425 2.605 20 5 FFBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)C[C@H](C)[N@H+]1CCO ZINC000450791302 513343498 /nfs/dbraw/zinc/34/34/98/513343498.db2.gz IILBJFBAFAFSMY-OKILXGFUSA-N 1 0 374.416 2.687 20 5 FFBDRO C[C@H]1CN(c2ccc3ncc([N+](=O)[O-])n3n2)CC[N@H+](Cc2ccccc2)C1 ZINC000450814451 513352127 /nfs/dbraw/zinc/35/21/27/513352127.db2.gz VHTQNOLYQCKUTP-OAHLLOKOSA-N 1 0 366.425 2.596 20 5 FFBDRO C[C@H]1CN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC[N@@H+](C2CCC2)C1 ZINC000429370740 513354888 /nfs/dbraw/zinc/35/48/88/513354888.db2.gz FJSMAATWZVLBAN-DNVCBOLYSA-N 1 0 372.469 2.506 20 5 FFBDRO C[C@H](C[NH+]1CCCCCC1)NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446898951 513359138 /nfs/dbraw/zinc/35/91/38/513359138.db2.gz OSNXMITZDDLZNV-CYBMUJFWSA-N 1 0 374.445 2.535 20 5 FFBDRO Cc1c(NC(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC000415647247 513361686 /nfs/dbraw/zinc/36/16/86/513361686.db2.gz AKDNFIPNOJTKQS-IUCAKERBSA-N 1 0 371.235 2.880 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000415649260 513362500 /nfs/dbraw/zinc/36/25/00/513362500.db2.gz CZWVURAOFUYFIS-UHFFFAOYSA-N 1 0 362.430 2.991 20 5 FFBDRO Cc1c(NC(=O)N2CC[C@@](C)(C[NH3+])C2)cc(Br)cc1[N+](=O)[O-] ZINC000415655750 513365274 /nfs/dbraw/zinc/36/52/74/513365274.db2.gz KMNWBHYRHONZAF-AWEZNQCLSA-N 1 0 371.235 2.868 20 5 FFBDRO Cc1c(NC(=O)N2CC[C@](C)(C[NH3+])C2)cc(Br)cc1[N+](=O)[O-] ZINC000415655766 513365385 /nfs/dbraw/zinc/36/53/85/513365385.db2.gz KMNWBHYRHONZAF-CQSZACIVSA-N 1 0 371.235 2.868 20 5 FFBDRO C[C@H](NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H]1CCC[NH2+]C1 ZINC000418087041 513367508 /nfs/dbraw/zinc/36/75/08/513367508.db2.gz FWAZTCDBSRIRJX-CMPLNLGQSA-N 1 0 374.363 2.801 20 5 FFBDRO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000418089270 513367632 /nfs/dbraw/zinc/36/76/32/513367632.db2.gz LYTDLDSKSOSMFK-FZMZJTMJSA-N 1 0 372.347 2.507 20 5 FFBDRO Cc1c(NC(=O)NCCC[NH2+]C2CC2)cc(Br)cc1[N+](=O)[O-] ZINC000415664914 513368953 /nfs/dbraw/zinc/36/89/53/513368953.db2.gz URLYZJJWQBFNJR-UHFFFAOYSA-N 1 0 371.235 2.929 20 5 FFBDRO [NH3+]CC[C@@H]1CCCN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000418096503 513369612 /nfs/dbraw/zinc/36/96/12/513369612.db2.gz XINJCYLSKLDZCA-NSHDSACASA-N 1 0 374.363 2.884 20 5 FFBDRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000418105910 513373354 /nfs/dbraw/zinc/37/33/54/513373354.db2.gz BQIBKYGTTIABNK-LSDHHAIUSA-N 1 0 359.426 2.742 20 5 FFBDRO C[NH2+]CC1CCN(C(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)CC1 ZINC000429437065 513376067 /nfs/dbraw/zinc/37/60/67/513376067.db2.gz MXXYNGGXOINKLV-OAHLLOKOSA-N 1 0 374.485 2.903 20 5 FFBDRO C[C@@H]1C[C@H](NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000415693325 513384934 /nfs/dbraw/zinc/38/49/34/513384934.db2.gz HUYKJNHFWFLKRF-PSASIEDQSA-N 1 0 357.208 2.619 20 5 FFBDRO C[C@@H]1CN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000415699765 513387044 /nfs/dbraw/zinc/38/70/44/513387044.db2.gz KFURENKLJLZFEO-PELKAZGASA-N 1 0 357.208 2.558 20 5 FFBDRO [NH3+]CC1(NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CCCC1 ZINC000415700323 513388741 /nfs/dbraw/zinc/38/87/41/513388741.db2.gz MDLMOVVNWQHICV-UHFFFAOYSA-N 1 0 357.208 2.750 20 5 FFBDRO COc1ccc(OCC[NH2+][C@@]2(CO)CCCc3ccccc32)c([N+](=O)[O-])c1 ZINC000440824223 513416976 /nfs/dbraw/zinc/41/69/76/513416976.db2.gz UFGBDRVOIMYVDN-HXUWFJFHSA-N 1 0 372.421 2.796 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000421779557 513423683 /nfs/dbraw/zinc/42/36/83/513423683.db2.gz NEXFNFXLWWCCSN-UHFFFAOYSA-N 1 0 363.458 2.831 20 5 FFBDRO CC1CC[NH+](C[C@@H](O)CNc2ncc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000413132565 513470642 /nfs/dbraw/zinc/47/06/42/513470642.db2.gz IYCYVYLNSQHVHP-LBPRGKRZSA-N 1 0 362.352 2.513 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N[C@@H]3CC[NH2+][C@@H](C)C3)cc2[N+](=O)[O-])C1 ZINC000447510819 513492598 /nfs/dbraw/zinc/49/25/98/513492598.db2.gz JMTBDWXCPVPQHS-IJEWVQPXSA-N 1 0 360.458 2.701 20 5 FFBDRO Cc1cccc(C(=O)NCC[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000447533496 513500986 /nfs/dbraw/zinc/50/09/86/513500986.db2.gz XTYHMXDRVFARPL-DLBZAZTESA-N 1 0 371.441 2.603 20 5 FFBDRO C[NH2+]Cc1cccc(NC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000415960119 513501393 /nfs/dbraw/zinc/50/13/93/513501393.db2.gz NPKISRZOGNGWHE-UHFFFAOYSA-N 1 0 356.382 2.609 20 5 FFBDRO CC(C)C[C@H](C[NH3+])NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000418417858 513501560 /nfs/dbraw/zinc/50/15/60/513501560.db2.gz VXIVKTNUKJOUSN-CQSZACIVSA-N 1 0 364.446 2.521 20 5 FFBDRO C[C@H]1C[NH+](CCCCNc2nccc3ccc([N+](=O)[O-])cc32)C[C@H](C)O1 ZINC000413179976 513502504 /nfs/dbraw/zinc/50/25/04/513502504.db2.gz DCFCCUFNSSXUCN-GJZGRUSLSA-N 1 0 358.442 2.866 20 5 FFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCOc2ncccc2Cl)n1 ZINC000447584603 513514487 /nfs/dbraw/zinc/51/44/87/513514487.db2.gz GPVYXEXVQZDLRS-KGLIPLIRSA-N 1 0 365.821 2.992 20 5 FFBDRO C[C@@H]([NH3+])c1ccc(CNC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000418464660 513523015 /nfs/dbraw/zinc/52/30/15/513523015.db2.gz PUHNKJCJNXHJSA-CYBMUJFWSA-N 1 0 370.409 2.719 20 5 FFBDRO CC(C)(NC(=O)NCc1ccc2c(c1)C[NH2+]C2)c1ccc([N+](=O)[O-])cc1 ZINC000418555726 513556018 /nfs/dbraw/zinc/55/60/18/513556018.db2.gz PUTUTLMWRLWVDW-UHFFFAOYSA-N 1 0 354.410 2.933 20 5 FFBDRO COc1cc(CN2CC[C@H]([NH3+])C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000435374375 513568635 /nfs/dbraw/zinc/56/86/35/513568635.db2.gz IKFZEAWNMOZQIZ-INIZCTEOSA-N 1 0 357.410 2.715 20 5 FFBDRO C[NH2+][C@H]1CCN(Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000435388333 513572178 /nfs/dbraw/zinc/57/21/78/513572178.db2.gz FGTSEMXZTHEYKH-KRWDZBQOSA-N 1 0 371.437 2.976 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N(C)C(C)(C)C[NH+]2CCCC2)c1F ZINC000416111956 513575302 /nfs/dbraw/zinc/57/53/02/513575302.db2.gz WJURKNZHTZDPCQ-UHFFFAOYSA-N 1 0 367.421 2.618 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1CN(Cc1nccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000435434290 513586041 /nfs/dbraw/zinc/58/60/41/513586041.db2.gz XFKAATDBMYWFOC-SFHVURJKSA-N 1 0 369.469 2.781 20 5 FFBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000418641090 513588465 /nfs/dbraw/zinc/58/84/65/513588465.db2.gz RTKCEDBLVRGHFH-QGZVFWFLSA-N 1 0 354.410 2.623 20 5 FFBDRO C[C@@H](O)C[C@@H]1CCCCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000447840321 513594025 /nfs/dbraw/zinc/59/40/25/513594025.db2.gz RCZAIAVGFDHZKP-NEPJUHHUSA-N 1 0 355.822 2.812 20 5 FFBDRO COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+]CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000451230252 513609013 /nfs/dbraw/zinc/60/90/13/513609013.db2.gz NVNPVFSBAYGCSK-CABCVRRESA-N 1 0 366.414 2.694 20 5 FFBDRO Cc1ncsc1CN(C[C@@H]1CC[NH2+]C1)C(=O)c1csc([N+](=O)[O-])c1 ZINC000435609140 513635282 /nfs/dbraw/zinc/63/52/82/513635282.db2.gz XYVJZOVNCYEMFZ-LLVKDONJSA-N 1 0 366.468 2.673 20 5 FFBDRO Cc1cc(OCC(=O)NCC[N@@H+](C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000430396598 513643233 /nfs/dbraw/zinc/64/32/33/513643233.db2.gz ULDYRTJDROMLFJ-UHFFFAOYSA-N 1 0 357.410 2.530 20 5 FFBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)c1 ZINC000435634961 513645500 /nfs/dbraw/zinc/64/55/00/513645500.db2.gz DNENSLWVKRKDIH-MRXNPFEDSA-N 1 0 367.471 2.670 20 5 FFBDRO [NH3+][C@@H](CC1CCCCC1)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000448550860 513780005 /nfs/dbraw/zinc/78/00/05/513780005.db2.gz ZSICYHWQJGODGX-INIZCTEOSA-N 1 0 360.458 2.541 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1C[C@@](C)(OC)C1(C)C ZINC000451496349 513788232 /nfs/dbraw/zinc/78/82/32/513788232.db2.gz UMHMIXNKTMLNJM-CRAIPNDOSA-N 1 0 365.430 2.725 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1[C@H](C)[C@@H](OC)C1(C)C ZINC000451503809 513794434 /nfs/dbraw/zinc/79/44/34/513794434.db2.gz RNNQUMCNDKWCIU-YMRXKLBXSA-N 1 0 365.430 2.581 20 5 FFBDRO CCCC[N@H+](C)CCNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000431040550 513813216 /nfs/dbraw/zinc/81/32/16/513813216.db2.gz XAKBNUXUSOPIHK-UHFFFAOYSA-N 1 0 358.236 2.819 20 5 FFBDRO COc1ccccc1CCNC(=O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000436285159 513816732 /nfs/dbraw/zinc/81/67/32/513816732.db2.gz OPHWOQMJDKNINZ-OAHLLOKOSA-N 1 0 371.437 2.921 20 5 FFBDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000436285095 513817142 /nfs/dbraw/zinc/81/71/42/513817142.db2.gz NMYADLQKXXWDIV-GUTXKFCHSA-N 1 0 363.414 2.633 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2noc(CN3CC[NH2+]CC34CCCCC4)n2)c1 ZINC000431068273 513818421 /nfs/dbraw/zinc/81/84/21/513818421.db2.gz BVEXHLNBHKYQQH-UHFFFAOYSA-N 1 0 357.414 2.753 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](C[C@H](O)COCC(F)(F)F)C2)cc1 ZINC000451554153 513830273 /nfs/dbraw/zinc/83/02/73/513830273.db2.gz ZKCUFNCSFVKVHZ-HIFRSBDPSA-N 1 0 362.348 2.714 20 5 FFBDRO COc1cc(CN2CCC3(CC[NH2+]3)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000422564961 513846001 /nfs/dbraw/zinc/84/60/01/513846001.db2.gz XCYZJAYUUDYALJ-UHFFFAOYSA-N 1 0 371.384 2.575 20 5 FFBDRO CC(C)[C@H](CO)[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000451596752 513856240 /nfs/dbraw/zinc/85/62/40/513856240.db2.gz LVDQKLGUXSQVEP-WMZOPIPTSA-N 1 0 351.447 2.802 20 5 FFBDRO CC(C)[C@@H](CO)[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C(C)C ZINC000451603885 513861214 /nfs/dbraw/zinc/86/12/14/513861214.db2.gz XTWLSZMSONBJTQ-RDTXWAMCSA-N 1 0 351.447 2.802 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCSC[C@@H]1C1CC1 ZINC000451656569 513893648 /nfs/dbraw/zinc/89/36/48/513893648.db2.gz UIHAPHHOYIBCBN-OAHLLOKOSA-N 1 0 365.455 2.759 20 5 FFBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCSC[C@@H]1C1CC1 ZINC000451658929 513895148 /nfs/dbraw/zinc/89/51/48/513895148.db2.gz YXTHLXFRIIYHBQ-OAHLLOKOSA-N 1 0 363.439 2.720 20 5 FFBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431495424 513911415 /nfs/dbraw/zinc/91/14/15/513911415.db2.gz JHIWEFPKLPDWEY-LKFCYVNXSA-N 1 0 368.231 2.570 20 5 FFBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)[NH+]1CCC(C)CC1 ZINC000448815073 513912643 /nfs/dbraw/zinc/91/26/43/513912643.db2.gz ZMYBGKPCHQFKFR-HNNXBMFYSA-N 1 0 371.441 2.631 20 5 FFBDRO C[NH2+][C@H]1CCCN(C(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000422774824 513929197 /nfs/dbraw/zinc/92/91/97/513929197.db2.gz YPEPNKOCQLDGAC-LBPRGKRZSA-N 1 0 353.397 2.644 20 5 FFBDRO C[C@@H]([NH3+])C1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000422797119 513934441 /nfs/dbraw/zinc/93/44/41/513934441.db2.gz ZVYLKCOBPLOTJU-SNVBAGLBSA-N 1 0 357.863 2.926 20 5 FFBDRO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000451777252 513974285 /nfs/dbraw/zinc/97/42/85/513974285.db2.gz VYVYCYNFVZOTJW-NFAWXSAZSA-N 1 0 363.414 2.552 20 5 FFBDRO CO[C@@H]([C@H](C)[NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000414181297 514000342 /nfs/dbraw/zinc/00/03/42/514000342.db2.gz LYDIPUINLURQIN-YHAQOWFVSA-N 1 0 355.822 2.978 20 5 FFBDRO CN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000431942250 514046515 /nfs/dbraw/zinc/04/65/15/514046515.db2.gz YWTPKNIYHBOLEB-CYBMUJFWSA-N 1 0 368.231 2.666 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccc(NS(C)(=O)=O)c1 ZINC000449068262 514058842 /nfs/dbraw/zinc/05/88/42/514058842.db2.gz RMXZJOVIHOGZRJ-CYBMUJFWSA-N 1 0 363.439 2.687 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(Cn2cncn2)cc1 ZINC000449071553 514059927 /nfs/dbraw/zinc/05/99/27/514059927.db2.gz HXGOXLRVDLNHNF-OAHLLOKOSA-N 1 0 351.410 2.955 20 5 FFBDRO COc1cccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2OC)[NH+](C)C)c1 ZINC000426871971 514062824 /nfs/dbraw/zinc/06/28/24/514062824.db2.gz RIKCTYYKBSANNP-KRWDZBQOSA-N 1 0 373.409 2.645 20 5 FFBDRO O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000420271084 514067568 /nfs/dbraw/zinc/06/75/68/514067568.db2.gz ZISHKZBWIZJZNP-IUCAKERBSA-N 1 0 366.290 2.690 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccccc1CS(C)(=O)=O ZINC000449169095 514098731 /nfs/dbraw/zinc/09/87/31/514098731.db2.gz GAWQFRYXGRRDRF-CQSZACIVSA-N 1 0 362.451 2.860 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000449200155 514108628 /nfs/dbraw/zinc/10/86/28/514108628.db2.gz BAVZJTDVGMSTPF-UONOGXRCSA-N 1 0 354.410 2.605 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)Cn1ncc2ccccc2c1=O ZINC000449216100 514116709 /nfs/dbraw/zinc/11/67/09/514116709.db2.gz PVWDHTBPJFPGFR-GJZGRUSLSA-N 1 0 366.421 2.914 20 5 FFBDRO CCCC[NH+]1CCC(NS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)CC1 ZINC000414456248 514128004 /nfs/dbraw/zinc/12/80/04/514128004.db2.gz ITDSRYOAULSIRD-UHFFFAOYSA-N 1 0 369.487 2.754 20 5 FFBDRO COC(=O)[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)C[C@@H]1c1ccccc1 ZINC000452010798 514134840 /nfs/dbraw/zinc/13/48/40/514134840.db2.gz WFOCZKRHYOJPJL-QZTJIDSGSA-N 1 0 370.405 2.992 20 5 FFBDRO CCO[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000452033050 514149098 /nfs/dbraw/zinc/14/90/98/514149098.db2.gz FHGVUEAQRUAEFS-DXCKQFNASA-N 1 0 365.430 2.868 20 5 FFBDRO Cc1cc(S(=O)(=O)N[C@H](CCC[NH3+])c2ccccc2)ccc1[N+](=O)[O-] ZINC000420449577 514150893 /nfs/dbraw/zinc/15/08/93/514150893.db2.gz ABRVRYMIMWONGP-MRXNPFEDSA-N 1 0 363.439 2.662 20 5 FFBDRO O=[N+]([O-])c1cccc2c(N3CC[NH+](CC4CCOCC4)CC3)ccnc21 ZINC000432323606 514158784 /nfs/dbraw/zinc/15/87/84/514158784.db2.gz DCVMBJKWZMTBQS-UHFFFAOYSA-N 1 0 356.426 2.692 20 5 FFBDRO CCS(=O)(=O)CCC[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000414545993 514172839 /nfs/dbraw/zinc/17/28/39/514172839.db2.gz SKIRLDRLVPTSLY-UHFFFAOYSA-N 1 0 352.412 2.769 20 5 FFBDRO O=[N+]([O-])c1cc(C[NH+]2CCC3(CCC(O)CC3)CC2)c2c(c1)COCO2 ZINC000449368778 514184036 /nfs/dbraw/zinc/18/40/36/514184036.db2.gz NSMISVWAYZDYNN-UHFFFAOYSA-N 1 0 362.426 2.978 20 5 FFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](CO)c1ccc(F)cc1 ZINC000449380238 514187306 /nfs/dbraw/zinc/18/73/06/514187306.db2.gz MIGMHSJNBFDAFL-SJKOYZFVSA-N 1 0 361.373 2.774 20 5 FFBDRO C[C@@H]1C[C@@H](NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)CC[NH2+]1 ZINC000423627608 514188792 /nfs/dbraw/zinc/18/87/92/514188792.db2.gz UXIYSPVQFWZOPA-NEPJUHHUSA-N 1 0 353.397 2.691 20 5 FFBDRO COC[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000452103056 514192533 /nfs/dbraw/zinc/19/25/33/514192533.db2.gz LNQZBUWIXQCGLJ-CQSZACIVSA-N 1 0 365.430 2.681 20 5 FFBDRO C[C@H]1[C@H]([NH3+])CCN1C(=O)c1cc(F)cc2c1[nH]c1c(F)cccc1c2=O ZINC000423655213 514193870 /nfs/dbraw/zinc/19/38/70/514193870.db2.gz UVSBAGUXMCZTMM-BJOHPYRUSA-N 1 0 357.360 2.521 20 5 FFBDRO [NH3+][C@@H]1CCC[C@H](CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000423698953 514204738 /nfs/dbraw/zinc/20/47/38/514204738.db2.gz OMLIAZUKFWLHFM-JOYOIKCWSA-N 1 0 356.220 2.605 20 5 FFBDRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000417177990 514212738 /nfs/dbraw/zinc/21/27/38/514212738.db2.gz DGMDMNQBVMFNMM-INIZCTEOSA-N 1 0 372.425 2.665 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N(CC[NH3+])CCc1ccccc1 ZINC000414660638 514228493 /nfs/dbraw/zinc/22/84/93/514228493.db2.gz VULUKZZSPOXURN-UHFFFAOYSA-N 1 0 358.398 2.639 20 5 FFBDRO COc1ccc([C@H]2CC[NH2+]C[C@@H]2NC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000414662828 514229031 /nfs/dbraw/zinc/22/90/31/514229031.db2.gz RKDLXRZPNXTZQN-MSOLQXFVSA-N 1 0 370.409 2.871 20 5 FFBDRO CSc1cccc(C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)c1[N+](=O)[O-] ZINC000432573648 514230245 /nfs/dbraw/zinc/23/02/45/514230245.db2.gz GKWOUSYNLCIKGG-CYBMUJFWSA-N 1 0 367.471 2.547 20 5 FFBDRO [NH3+]C1(CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)C2CC3CC(C2)CC1C3 ZINC000417224880 514244657 /nfs/dbraw/zinc/24/46/57/514244657.db2.gz IRSKHOWGGHIDFN-UHFFFAOYSA-N 1 0 372.469 2.590 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N[C@@H]3C[NH2+]CC[C@H]3C)cc2[N+](=O)[O-])C1 ZINC000427589997 514257985 /nfs/dbraw/zinc/25/79/85/514257985.db2.gz VZEJFXRWWJZTRL-IIAWOOMASA-N 1 0 360.458 2.559 20 5 FFBDRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000449640867 514275903 /nfs/dbraw/zinc/27/59/03/514275903.db2.gz SYQTVJGGMVKDSE-HZPDHXFCSA-N 1 0 363.461 2.788 20 5 FFBDRO CCOc1cc(NC(=O)N[C@@H](C[NH3+])C(C)(C)C)c([N+](=O)[O-])cc1OCC ZINC000414758297 514276411 /nfs/dbraw/zinc/27/64/11/514276411.db2.gz MQTHWIOVZGCAIF-HNNXBMFYSA-N 1 0 368.434 2.887 20 5 FFBDRO CCOc1cc(NC(=O)N2CCC[C@@H]2C[NH2+]C)c([N+](=O)[O-])cc1OCC ZINC000414760630 514277708 /nfs/dbraw/zinc/27/77/08/514277708.db2.gz RDTFLNNLBBQOJM-GFCCVEGCSA-N 1 0 366.418 2.608 20 5 FFBDRO CCOc1cc(NC(=O)N2CC[NH2+]C(C)(C)C2)c([N+](=O)[O-])cc1OCC ZINC000414759964 514278279 /nfs/dbraw/zinc/27/82/79/514278279.db2.gz PMCPERLLKCPUAG-UHFFFAOYSA-N 1 0 366.418 2.608 20 5 FFBDRO CCOc1cc(NC(=O)N[C@@](C)(C[NH3+])C2CC2)c([N+](=O)[O-])cc1OCC ZINC000414760762 514278372 /nfs/dbraw/zinc/27/83/72/514278372.db2.gz RHGNIIYWLZYHCM-KRWDZBQOSA-N 1 0 366.418 2.641 20 5 FFBDRO O=C(NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000449645652 514279826 /nfs/dbraw/zinc/27/98/26/514279826.db2.gz KVBCYZUTUPAQAU-MAUKXSAKSA-N 1 0 357.385 2.857 20 5 FFBDRO CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc3c(c2)C[NH2+]C3)cc1OC ZINC000449662930 514288710 /nfs/dbraw/zinc/28/87/10/514288710.db2.gz HTSLQVBCFDSAQR-UHFFFAOYSA-N 1 0 357.366 2.858 20 5 FFBDRO COc1cc(CNCC2([NH3+])CCC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000414871629 514332668 /nfs/dbraw/zinc/33/26/68/514332668.db2.gz DQQGCOHXWFSSKM-UHFFFAOYSA-N 1 0 363.336 2.516 20 5 FFBDRO [NH3+][C@H]1CCO[C@H](C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)CC2)C1 ZINC000424003937 514334764 /nfs/dbraw/zinc/33/47/64/514334764.db2.gz ALSFKFBFAZOHHM-LRDDRELGSA-N 1 0 367.833 2.607 20 5 FFBDRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000424008544 514337278 /nfs/dbraw/zinc/33/72/78/514337278.db2.gz XBTTYAPZPIEJJA-CRAIPNDOSA-N 1 0 373.409 2.700 20 5 FFBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NC(C)(C)CC[NH3+])cc2[N+](=O)[O-])C1 ZINC000424064090 514364329 /nfs/dbraw/zinc/36/43/29/514364329.db2.gz VFLZNLJTQTUTSK-ZIAGYGMSSA-N 1 0 362.474 2.934 20 5 FFBDRO NC(=O)c1cccc(N[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000439098498 514493046 /nfs/dbraw/zinc/49/30/46/514493046.db2.gz JMJYFWSITUNVBY-HNNXBMFYSA-N 1 0 354.410 2.770 20 5 FFBDRO CC[NH+](CC)CC[C@H](CO)Nc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000439120055 514497030 /nfs/dbraw/zinc/49/70/30/514497030.db2.gz PSOFKOYSMNTVIT-MRXNPFEDSA-N 1 0 358.442 2.583 20 5 FFBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000445717365 514510429 /nfs/dbraw/zinc/51/04/29/514510429.db2.gz CSZVITBXTUAUNU-SFHVURJKSA-N 1 0 353.422 2.918 20 5 FFBDRO O=C(Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1)Nc1ccc([N+](=O)[O-])cc1F ZINC000461112924 514519061 /nfs/dbraw/zinc/51/90/61/514519061.db2.gz NVROVDARCXEFCS-OAHLLOKOSA-N 1 0 374.372 2.945 20 5 FFBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000461261764 514553739 /nfs/dbraw/zinc/55/37/39/514553739.db2.gz GUGCKSHPBAHOQL-INIZCTEOSA-N 1 0 358.442 2.882 20 5 FFBDRO CCOC(=O)[C@]1(COC)CCC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000439474913 514560605 /nfs/dbraw/zinc/56/06/05/514560605.db2.gz XVLOCNLZUAEBPU-KBXCAEBGSA-N 1 0 350.415 2.948 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2csc(NCCCC[NH+]3CCOCC3)n2)cc1 ZINC000450257286 514567785 /nfs/dbraw/zinc/56/77/85/514567785.db2.gz UXBQRRWAOHVDMO-UHFFFAOYSA-N 1 0 362.455 2.665 20 5 FFBDRO C[C@H]([NH2+]CCn1cc(Br)ccc1=O)c1ccc([N+](=O)[O-])cc1 ZINC000453241627 514576559 /nfs/dbraw/zinc/57/65/59/514576559.db2.gz DPVPNRAVYBHJEU-NSHDSACASA-N 1 0 366.215 2.870 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000458155835 514588832 /nfs/dbraw/zinc/58/88/32/514588832.db2.gz AXNFWQYBHQWMEO-STQMWFEESA-N 1 0 369.849 2.864 20 5 FFBDRO Cn1nccc1[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCO1 ZINC000453355876 514607850 /nfs/dbraw/zinc/60/78/50/514607850.db2.gz RHCRPVPYHGJRJR-DLTWYDFYSA-N 1 0 374.445 2.518 20 5 FFBDRO CN(C(=O)COc1cccc([N+](=O)[O-])c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475319788 514618169 /nfs/dbraw/zinc/61/81/69/514618169.db2.gz UVXUCPRDAAVANC-SFHVURJKSA-N 1 0 369.421 2.707 20 5 FFBDRO COc1c(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000475321767 514618623 /nfs/dbraw/zinc/61/86/23/514618623.db2.gz XVRLXQXCKDAUGE-KRWDZBQOSA-N 1 0 357.410 2.945 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C[NH+](C)C)c1ccc(F)cc1 ZINC000488889072 514620640 /nfs/dbraw/zinc/62/06/40/514620640.db2.gz JKYGNZMJXOJSBJ-INIZCTEOSA-N 1 0 361.373 2.775 20 5 FFBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000458201324 514623739 /nfs/dbraw/zinc/62/37/39/514623739.db2.gz WOFKZVXTETUMOG-INIZCTEOSA-N 1 0 374.485 2.659 20 5 FFBDRO C[NH+](C)CCc1ccc(CNc2ncnc3cccc([N+](=O)[O-])c32)cc1 ZINC000466433282 514646877 /nfs/dbraw/zinc/64/68/77/514646877.db2.gz GIXQFPCBKCKVCL-UHFFFAOYSA-N 1 0 351.410 2.676 20 5 FFBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000461638584 514679742 /nfs/dbraw/zinc/67/97/42/514679742.db2.gz VYWRJUDQVFYUND-AWEZNQCLSA-N 1 0 359.430 2.631 20 5 FFBDRO COC1CC[NH+](C2(CNC(=O)c3ccccc3[N+](=O)[O-])CCCC2)CC1 ZINC000502529390 514683862 /nfs/dbraw/zinc/68/38/62/514683862.db2.gz MWTFFYTZXFURTJ-UHFFFAOYSA-N 1 0 361.442 2.748 20 5 FFBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000466557840 514690307 /nfs/dbraw/zinc/69/03/07/514690307.db2.gz YOPRYVOXVJZJPB-KBXCAEBGSA-N 1 0 360.458 2.699 20 5 FFBDRO C[NH+](C)CC1(NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CCC1 ZINC000466573269 514696119 /nfs/dbraw/zinc/69/61/19/514696119.db2.gz MTWZXRGECHEXEO-UHFFFAOYSA-N 1 0 355.822 2.618 20 5 FFBDRO Cc1cc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)ccc1C[NH+](C)C ZINC000458309422 514700844 /nfs/dbraw/zinc/70/08/44/514700844.db2.gz FNYIWIWYERUVLL-UHFFFAOYSA-N 1 0 371.393 2.988 20 5 FFBDRO COc1cc(C[N@@H+]2CC[C@@](O)(C3CC3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000489188790 514744608 /nfs/dbraw/zinc/74/46/08/514744608.db2.gz ZRCCWQGXQBJYGL-INIZCTEOSA-N 1 0 358.341 2.552 20 5 FFBDRO CCn1nc(C)c([N+](=O)[O-])c1NCC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000479969508 514792455 /nfs/dbraw/zinc/79/24/55/514792455.db2.gz NXKUTIAXKMPDSA-UHFFFAOYSA-N 1 0 365.478 2.955 20 5 FFBDRO COCC[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@H]1CC[C@H](C)C1 ZINC000484855048 514815825 /nfs/dbraw/zinc/81/58/25/514815825.db2.gz GLUZLZDUXSJTQR-HOCLYGCPSA-N 1 0 361.442 2.621 20 5 FFBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000498316824 514857690 /nfs/dbraw/zinc/85/76/90/514857690.db2.gz JQPNYZQNDKZWFO-HNNXBMFYSA-N 1 0 368.437 2.947 20 5 FFBDRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000498366600 514882865 /nfs/dbraw/zinc/88/28/65/514882865.db2.gz XZLHYDSQVCPGMJ-GJZGRUSLSA-N 1 0 360.439 2.723 20 5 FFBDRO CNc1nc(C(=O)N(C)C(C)(C)C[NH+]2CCCCCC2)ccc1[N+](=O)[O-] ZINC000456024155 514908652 /nfs/dbraw/zinc/90/86/52/514908652.db2.gz OSYIMYAGVPWQGX-UHFFFAOYSA-N 1 0 363.462 2.758 20 5 FFBDRO COCC[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C[C@@H]1CC=CCC1 ZINC000485112479 514917849 /nfs/dbraw/zinc/91/78/49/514917849.db2.gz HVKVLDGMQLDGEC-MRXNPFEDSA-N 1 0 373.453 2.789 20 5 FFBDRO CC(C)[NH+]1CCN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000498474049 514919384 /nfs/dbraw/zinc/91/93/84/514919384.db2.gz YTAIWPKOPBGCKJ-UHFFFAOYSA-N 1 0 354.838 2.526 20 5 FFBDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000471538167 514922279 /nfs/dbraw/zinc/92/22/79/514922279.db2.gz HQJDYPMVUWVMJF-CYBMUJFWSA-N 1 0 369.849 2.821 20 5 FFBDRO C[N@@H+]1CCC[C@H](CCNC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000458621937 514961319 /nfs/dbraw/zinc/96/13/19/514961319.db2.gz DPCDRWXHWNBHKR-CYBMUJFWSA-N 1 0 368.865 2.822 20 5 FFBDRO C[C@H]([NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1)C(=O)N(C)C ZINC000480446371 514961295 /nfs/dbraw/zinc/96/12/95/514961295.db2.gz QKZIGWQNXPMHCT-AWEZNQCLSA-N 1 0 356.426 2.929 20 5 FFBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCC[NH2+]C(C)(C)C ZINC000498555383 514963456 /nfs/dbraw/zinc/96/34/56/514963456.db2.gz PKMSTYSJVKOLMR-UHFFFAOYSA-N 1 0 358.236 2.784 20 5 FFBDRO COCC[C@@H]([NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)C(C)(C)C ZINC000508989143 514978224 /nfs/dbraw/zinc/97/82/24/514978224.db2.gz ZLTQKUZXMARFHX-BLLLJJGKSA-N 1 0 367.446 2.971 20 5 FFBDRO COCC[C@H]([NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)C(C)(C)C ZINC000508989145 514978530 /nfs/dbraw/zinc/97/85/30/514978530.db2.gz ZLTQKUZXMARFHX-LRDDRELGSA-N 1 0 367.446 2.971 20 5 FFBDRO CC(C)[NH+](CCN(C)c1cccc(S(C)(=O)=O)c1[N+](=O)[O-])C(C)C ZINC000503301720 514994537 /nfs/dbraw/zinc/99/45/37/514994537.db2.gz JTJMDFNCPKENIC-UHFFFAOYSA-N 1 0 357.476 2.553 20 5 FFBDRO CC[NH+]1CCN([C@H](C)CNc2ccc([N+](=O)[O-])cc2OC(F)F)CC1 ZINC000509028054 514995222 /nfs/dbraw/zinc/99/52/22/514995222.db2.gz AAWFUBYBDWOWLA-GFCCVEGCSA-N 1 0 358.389 2.634 20 5 FFBDRO CNC(=O)[C@H](CCSC)[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000489855213 515000635 /nfs/dbraw/zinc/00/06/35/515000635.db2.gz GVSGLTOBBOIVAN-IMJJTQAJSA-N 1 0 365.499 2.763 20 5 FFBDRO Cn1cnc([N+](=O)[O-])c1CN1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000471845726 515029545 /nfs/dbraw/zinc/02/95/45/515029545.db2.gz LLXGUJIOMYQOIB-SJORKVTESA-N 1 0 357.458 2.500 20 5 FFBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCC1CC[NH+](CC)CC1 ZINC000462407237 515038008 /nfs/dbraw/zinc/03/80/08/515038008.db2.gz CXRWWPOQZQCULJ-UHFFFAOYSA-N 1 0 369.487 2.558 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC[C@H](c3ccccc3F)C2)c1 ZINC000503702942 515124928 /nfs/dbraw/zinc/12/49/28/515124928.db2.gz RSFSGNRUTIFDBE-GOEBONIOSA-N 1 0 360.385 2.963 20 5 FFBDRO CC(C)[C@@H](CNC(=O)COc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(C)CC1 ZINC000509442428 515180586 /nfs/dbraw/zinc/18/05/86/515180586.db2.gz PNGLUSCRHDTVSU-GOSISDBHSA-N 1 0 363.458 2.846 20 5 FFBDRO Cc1ccc(C)c(S(=O)(=O)NCCC[NH+](C(C)C)C(C)C)c1[N+](=O)[O-] ZINC000481079263 515198451 /nfs/dbraw/zinc/19/84/51/515198451.db2.gz XJTSJLHQYCLHIU-UHFFFAOYSA-N 1 0 371.503 2.999 20 5 FFBDRO COc1cc(C[N@H+](Cc2ccc(C(N)=O)cc2)C2CC2)ccc1[N+](=O)[O-] ZINC000485816006 515201701 /nfs/dbraw/zinc/20/17/01/515201701.db2.gz NOYNMWGVFBXFRB-UHFFFAOYSA-N 1 0 355.394 2.867 20 5 FFBDRO CCCC1CCC([NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000504068346 515209468 /nfs/dbraw/zinc/20/94/68/515209468.db2.gz NJJRNTDZARBOBI-UHFFFAOYSA-N 1 0 369.487 2.822 20 5 FFBDRO C[C@@H]([NH2+][C@H]1CCN(C(=O)COc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000509531889 515220717 /nfs/dbraw/zinc/22/07/17/515220717.db2.gz GTOXLHXDKUGNIN-WBVHZDCISA-N 1 0 369.421 2.925 20 5 FFBDRO CNc1c(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cccc1[N+](=O)[O-] ZINC000462781602 515242963 /nfs/dbraw/zinc/24/29/63/515242963.db2.gz YWCUOZMBVPHEBY-BBRMVZONSA-N 1 0 358.442 2.725 20 5 FFBDRO CS[C@H]1CN(Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@H]1[NH+]1CCCC1 ZINC000509622060 515262098 /nfs/dbraw/zinc/26/20/98/515262098.db2.gz BFIIWQYJFAVELL-CVEARBPZSA-N 1 0 357.426 2.885 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(N(C)CC[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000462855921 515270920 /nfs/dbraw/zinc/27/09/20/515270920.db2.gz WYBIFNGIXLOCDK-UHFFFAOYSA-N 1 0 370.453 2.862 20 5 FFBDRO COc1ccc(CNc2cccc(C[N@@H+]3CC[C@H](O)C3)c2)cc1[N+](=O)[O-] ZINC000462856903 515271127 /nfs/dbraw/zinc/27/11/27/515271127.db2.gz UMCNEOWVCUAISV-KRWDZBQOSA-N 1 0 357.410 2.782 20 5 FFBDRO CNc1c(C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000462907850 515292920 /nfs/dbraw/zinc/29/29/20/515292920.db2.gz UQUUMHYUMWCFCL-HNNXBMFYSA-N 1 0 356.426 2.539 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCc2cn3ccccc3n2)n1 ZINC000472604621 515334164 /nfs/dbraw/zinc/33/41/64/515334164.db2.gz WEQGFHYQUJTJLB-JKSUJKDBSA-N 1 0 354.414 2.755 20 5 FFBDRO Cn1c(C(=O)N2CC[NH+](C(C)(C)CC(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000456698339 515362368 /nfs/dbraw/zinc/36/23/68/515362368.db2.gz RGQZINGFKZSLOT-UHFFFAOYSA-N 1 0 350.463 2.906 20 5 FFBDRO O=C(Cc1ccccc1)N1CCC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000509976704 515389355 /nfs/dbraw/zinc/38/93/55/515389355.db2.gz ILWSDYDDNGWBOB-SFHVURJKSA-N 1 0 353.422 2.918 20 5 FFBDRO Cc1ccc(C[NH2+][C@H]2CCN(C(=O)COc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000509988874 515393921 /nfs/dbraw/zinc/39/39/21/515393921.db2.gz JBIQOWUOIBJSKR-KRWDZBQOSA-N 1 0 369.421 2.673 20 5 FFBDRO CCC[C@H]1CN(c2ccc([N+](=O)[O-])c(OCC)c2)CC[N@@H+]1CCOC ZINC000499640864 515394943 /nfs/dbraw/zinc/39/49/43/515394943.db2.gz KKLHCUWMYPWHES-INIZCTEOSA-N 1 0 351.447 2.931 20 5 FFBDRO CN(CC(=O)NCCC[N@H+](C)C1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000463324536 515441996 /nfs/dbraw/zinc/44/19/96/515441996.db2.gz ILFKYWACYVBMAO-UHFFFAOYSA-N 1 0 362.474 2.802 20 5 FFBDRO CC[C@H](C)[N@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)CC(=O)OC ZINC000499786699 515453701 /nfs/dbraw/zinc/45/37/01/515453701.db2.gz PIEBRYYKOIKSMQ-LBPRGKRZSA-N 1 0 351.403 2.505 20 5 FFBDRO CNC(=O)N[C@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000468672725 515463094 /nfs/dbraw/zinc/46/30/94/515463094.db2.gz BTTUPUJJLKTHHM-ZDUSSCGKSA-N 1 0 360.439 2.827 20 5 FFBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000499879358 515490832 /nfs/dbraw/zinc/49/08/32/515490832.db2.gz RZFIRMGACYIUBD-ZFWWWQNUSA-N 1 0 354.410 2.742 20 5 FFBDRO CC1CCN(c2ccc(C(=O)NCC[N@H+]3CC=CCC3)cc2[N+](=O)[O-])CC1 ZINC000477638037 515537847 /nfs/dbraw/zinc/53/78/47/515537847.db2.gz IFBPVPUCVITVTR-UHFFFAOYSA-N 1 0 372.469 2.823 20 5 FFBDRO CC1(C)CCC[N@@H+]1CCNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000457048068 515607632 /nfs/dbraw/zinc/60/76/32/515607632.db2.gz DHRMEAVJBANWAZ-UHFFFAOYSA-N 1 0 357.357 2.800 20 5 FFBDRO O=[N+]([O-])c1cc2ccccc2nc1NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000473514562 515641451 /nfs/dbraw/zinc/64/14/51/515641451.db2.gz WOVMKKDWORGHQE-PKOBYXMFSA-N 1 0 370.453 2.745 20 5 FFBDRO COc1cc(C[NH2+][C@@H]2CCC[C@@]2(C)CO)c([N+](=O)[O-])cc1OCC(F)F ZINC000493738914 515660324 /nfs/dbraw/zinc/66/03/24/515660324.db2.gz WECMUJQAOSHEQN-WBVHZDCISA-N 1 0 374.384 2.888 20 5 FFBDRO C[C@@H]1C[N@@H+](C[C@H]2CCCN2Cc2c(F)cccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000505798190 515675444 /nfs/dbraw/zinc/67/54/44/515675444.db2.gz ZDLGUHFMKKJSDC-QLFBSQMISA-N 1 0 351.422 2.808 20 5 FFBDRO CC[N@H+](CCNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])C(C)C ZINC000487005903 515717975 /nfs/dbraw/zinc/71/79/75/515717975.db2.gz MFIHAVBMCKJDCQ-UHFFFAOYSA-N 1 0 356.854 2.820 20 5 FFBDRO Cc1[nH+]ccc(N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)c1Cl ZINC000478281430 515764596 /nfs/dbraw/zinc/76/45/96/515764596.db2.gz YDZHSYBOFRPXIZ-UHFFFAOYSA-N 1 0 366.830 2.976 20 5 FFBDRO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)c2c(c1)COCO2 ZINC000459747850 515785380 /nfs/dbraw/zinc/78/53/80/515785380.db2.gz HEIFKNZRQSQYBO-ZWKOTPCHSA-N 1 0 362.426 2.834 20 5 FFBDRO CN1C(=O)C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000482727102 515786005 /nfs/dbraw/zinc/78/60/05/515786005.db2.gz VUEVXGOWPWXCEE-WMZOPIPTSA-N 1 0 361.348 2.935 20 5 FFBDRO COC(=O)c1ccccc1OCC[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511120716 515792125 /nfs/dbraw/zinc/79/21/25/515792125.db2.gz DDFBXWUMXJREOR-UHFFFAOYSA-N 1 0 358.394 2.935 20 5 FFBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000494472428 515855083 /nfs/dbraw/zinc/85/50/83/515855083.db2.gz YEBSZAMNXPNFSS-TZMCWYRMSA-N 1 0 354.769 2.741 20 5 FFBDRO O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000482986346 515872697 /nfs/dbraw/zinc/87/26/97/515872697.db2.gz CHGHLKXKZOVCDQ-OAHLLOKOSA-N 1 0 360.458 2.778 20 5 FFBDRO Cn1ncc([N+](=O)[O-])c1C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000500893056 515896901 /nfs/dbraw/zinc/89/69/01/515896901.db2.gz LCLBWFVLVKHDAK-UHFFFAOYSA-N 1 0 357.414 2.609 20 5 FFBDRO COc1ccc(OCCN2CCC[C@@H]2C(=O)OC(C)(C)C)c([N+](=O)[O-])c1 ZINC000474225156 515943387 /nfs/dbraw/zinc/94/33/87/515943387.db2.gz DHIZBPLTIGMPEC-CQSZACIVSA-N 1 0 366.414 2.788 20 5 FFBDRO C[C@H](CN1CCN(c2ccccn2)CC1)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000483154191 515956795 /nfs/dbraw/zinc/95/67/95/515956795.db2.gz IEHJSNQYZLDJFN-SJORKVTESA-N 1 0 369.469 2.851 20 5 FFBDRO C[NH+](C)CCN(CC1CCCCC1)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000501227261 516021890 /nfs/dbraw/zinc/02/18/90/516021890.db2.gz MFADXUXYAIBIGS-UHFFFAOYSA-N 1 0 363.458 2.944 20 5 FFBDRO COc1cc(CN2CC[N@H+](C)[C@H](C(C)C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000487948452 516047252 /nfs/dbraw/zinc/04/72/52/516047252.db2.gz DLRNHBAWPQCVHH-AWEZNQCLSA-N 1 0 373.400 2.977 20 5 FFBDRO COCC[N@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@@H]1CCC[C@H]1C ZINC000487992116 516067599 /nfs/dbraw/zinc/06/75/99/516067599.db2.gz XBICEWLWNKIBTM-CZUORRHYSA-N 1 0 365.430 2.679 20 5 FFBDRO CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC000460208861 516068888 /nfs/dbraw/zinc/06/88/88/516068888.db2.gz HPXRHCGOIZWVCR-ZIAGYGMSSA-N 1 0 358.446 2.792 20 5 FFBDRO CC[NH+](CC)CCOC1CCN(C(=O)c2cccc(C)c2[N+](=O)[O-])CC1 ZINC000465259557 516108615 /nfs/dbraw/zinc/10/86/15/516108615.db2.gz PLOWTVINPJCQTM-UHFFFAOYSA-N 1 0 363.458 2.866 20 5 FFBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)C1 ZINC000512076994 516141793 /nfs/dbraw/zinc/14/17/93/516141793.db2.gz NSZHHTLZMQUUIP-KBPBESRZSA-N 1 0 351.472 2.924 20 5 FFBDRO NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000470152527 516147575 /nfs/dbraw/zinc/14/75/75/516147575.db2.gz NJMZDIUJHQDUSU-IAISJRAMSA-N 1 0 355.394 2.941 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000507271135 516149618 /nfs/dbraw/zinc/14/96/18/516149618.db2.gz FCMBZPIDEOGBBO-CYBMUJFWSA-N 1 0 369.487 2.692 20 5 FFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](CCC(F)(F)F)C[C@H](O)CO ZINC000470182136 516166490 /nfs/dbraw/zinc/16/64/90/516166490.db2.gz IWNXXVSXZIYLHR-XCHKQJEOSA-N 1 0 362.348 2.606 20 5 FFBDRO O=C(NCC[N@H+]1CC=CCC1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000474755940 516182862 /nfs/dbraw/zinc/18/28/62/516182862.db2.gz KSOAGFIMNSLEGU-UHFFFAOYSA-N 1 0 372.347 2.675 20 5 FFBDRO C[C@@H]1CSC[C@@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000512204768 516197159 /nfs/dbraw/zinc/19/71/59/516197159.db2.gz VPBSWEDTMZJGQL-PELKAZGASA-N 1 0 374.260 2.637 20 5 FFBDRO CC(C)C[C@@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])[NH2+][C@H](C)c1ccccc1 ZINC000488390882 516212170 /nfs/dbraw/zinc/21/21/70/516212170.db2.gz NCKFLHNXHSGLLO-HIFRSBDPSA-N 1 0 359.430 2.813 20 5 FFBDRO CC(C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)[N@@H+]1CCc2ccccc2C1 ZINC000501818000 516234478 /nfs/dbraw/zinc/23/44/78/516234478.db2.gz ULDOJFCCZOARNX-SFHVURJKSA-N 1 0 370.453 2.746 20 5 FFBDRO CCn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cn1 ZINC000488483951 516236582 /nfs/dbraw/zinc/23/65/82/516236582.db2.gz IFRFMBJONUAMRO-NRXGSXMXSA-N 1 0 371.441 2.790 20 5 FFBDRO COCC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1cncs1 ZINC000501887724 516256309 /nfs/dbraw/zinc/25/63/09/516256309.db2.gz NEVXXRSJJMTMJX-UHFFFAOYSA-N 1 0 364.427 2.529 20 5 FFBDRO COc1ccc(C(=O)N2CC([N@H+](C)Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000512399728 516264737 /nfs/dbraw/zinc/26/47/37/516264737.db2.gz MDWBGVWAMMQCHH-UHFFFAOYSA-N 1 0 355.394 2.560 20 5 FFBDRO Cc1c(Br)c(N2CC[C@]3(CC[N@@H+](C)C3)C2)ncc1[N+](=O)[O-] ZINC000488743163 516298501 /nfs/dbraw/zinc/29/85/01/516298501.db2.gz HBSUGVKZJBJVTJ-AWEZNQCLSA-N 1 0 355.236 2.593 20 5 FFBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C[C@H]1C ZINC000497603993 516327663 /nfs/dbraw/zinc/32/76/63/516327663.db2.gz JXXKKPXTMHERES-MNOVXSKESA-N 1 0 357.357 2.751 20 5 FFBDRO CN(c1ccccc1)c1ccc(C[NH2+][C@@]2(CO)CCOC2)cc1[N+](=O)[O-] ZINC000543619437 516331524 /nfs/dbraw/zinc/33/15/24/516331524.db2.gz GKDCZBVJEVZUFX-LJQANCHMSA-N 1 0 357.410 2.604 20 5 FFBDRO COc1ccc(CC(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000547437927 516337113 /nfs/dbraw/zinc/33/71/13/516337113.db2.gz DQVLNGVJVMXQQO-VBKZILBWSA-N 1 0 371.437 2.954 20 5 FFBDRO O=C(N1CCCC1)N1CCC[C@@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000517586818 516377260 /nfs/dbraw/zinc/37/72/60/516377260.db2.gz VVPPQXIBJLIFDH-RHSMWYFYSA-N 1 0 358.442 2.852 20 5 FFBDRO COc1ccc(NC(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)cc1[N+](=O)[O-] ZINC000543887970 516481012 /nfs/dbraw/zinc/48/10/12/516481012.db2.gz QGKMRVSPPHDOLG-CHWSQXEVSA-N 1 0 350.419 2.988 20 5 FFBDRO Cc1cc(C)cc(OC[C@H](O)C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000517925368 516495317 /nfs/dbraw/zinc/49/53/17/516495317.db2.gz HIJVMLIHPFCEOD-QGZVFWFLSA-N 1 0 360.410 2.620 20 5 FFBDRO C[C@H](O)C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000554544975 516500413 /nfs/dbraw/zinc/50/04/13/516500413.db2.gz XXHUPJMVKXXFRI-HNNXBMFYSA-N 1 0 357.410 2.806 20 5 FFBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH2+][C@@H](CCO)c1ccccc1 ZINC000540330452 516514380 /nfs/dbraw/zinc/51/43/80/516514380.db2.gz UWRXXKZUBFNPDP-INIZCTEOSA-N 1 0 371.393 2.606 20 5 FFBDRO Cc1cc([N+](=O)[O-])cnc1N(C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000561357114 516540868 /nfs/dbraw/zinc/54/08/68/516540868.db2.gz QFQNCOQZMDPYNL-UHFFFAOYSA-N 1 0 369.469 2.552 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C1(c2ccccc2)CCOCC1 ZINC000544070454 516568174 /nfs/dbraw/zinc/56/81/74/516568174.db2.gz ABUULCVURBZGNL-QGZVFWFLSA-N 1 0 372.421 2.630 20 5 FFBDRO COc1cc(C[C@@H](CO)C[NH2+]Cc2csc([N+](=O)[O-])c2)cc(OC)c1 ZINC000540612778 516640916 /nfs/dbraw/zinc/64/09/16/516640916.db2.gz QXURPSSBMWDURY-CYBMUJFWSA-N 1 0 366.439 2.614 20 5 FFBDRO O=C1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CN1[C@@H]1C[C@@H]1c1ccccc1 ZINC000540617968 516643724 /nfs/dbraw/zinc/64/37/24/516643724.db2.gz FCUBNQUQKQYCLA-YQVWRLOYSA-N 1 0 351.406 2.841 20 5 FFBDRO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1ccccc1[N+](=O)[O-])CC(C)C ZINC000531837246 516670246 /nfs/dbraw/zinc/67/02/46/516670246.db2.gz CXKJVTIQSLXOBL-CQSZACIVSA-N 1 0 357.476 2.630 20 5 FFBDRO COc1ccc(CC(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000524314288 516691992 /nfs/dbraw/zinc/69/19/92/516691992.db2.gz LITIUQKIWQQVPY-ZNMIVQPWSA-N 1 0 363.458 2.629 20 5 FFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H](O)CCc1ccccc1 ZINC000544374692 516730906 /nfs/dbraw/zinc/73/09/06/516730906.db2.gz AYHANIJYIRIRAG-DNVCBOLYSA-N 1 0 371.437 2.895 20 5 FFBDRO COCC[N@@H+]1CCC[C@H]1CNc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000536391299 516748084 /nfs/dbraw/zinc/74/80/84/516748084.db2.gz UHPNZZPYZMGKNQ-INIZCTEOSA-N 1 0 356.426 2.601 20 5 FFBDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C[C@@H](C)C1 ZINC000561762681 516758320 /nfs/dbraw/zinc/75/83/20/516758320.db2.gz PTYKIIXRYKWZSH-DCGLDWPTSA-N 1 0 356.426 2.878 20 5 FFBDRO C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cn2C)CC[N@@H+]1Cc1ccccc1 ZINC000524708486 516795901 /nfs/dbraw/zinc/79/59/01/516795901.db2.gz KQUWLAKUHANKEI-OAHLLOKOSA-N 1 0 356.426 2.670 20 5 FFBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000540998258 516821474 /nfs/dbraw/zinc/82/14/74/516821474.db2.gz NOEIWEXTIFKZRN-NWDGAFQWSA-N 1 0 357.357 2.799 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(C(=O)NCC(F)(F)F)CC1 ZINC000544607742 516834061 /nfs/dbraw/zinc/83/40/61/516834061.db2.gz CYVIELOGDGQJDI-UHFFFAOYSA-N 1 0 359.348 2.794 20 5 FFBDRO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000544613705 516838344 /nfs/dbraw/zinc/83/83/44/516838344.db2.gz LLDKJSASFXAWMR-HNNXBMFYSA-N 1 0 362.451 2.898 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]1C ZINC000524881120 516858327 /nfs/dbraw/zinc/85/83/27/516858327.db2.gz UTVCOVPJZIOBRY-PBHICJAKSA-N 1 0 371.441 2.725 20 5 FFBDRO O=C1C[C@@]2(CN1)CCC[N@@H+](Cc1ccc(-c3cccc([N+](=O)[O-])c3)o1)C2 ZINC000536659632 516880174 /nfs/dbraw/zinc/88/01/74/516880174.db2.gz DFHPIUKEVFIEIK-LJQANCHMSA-N 1 0 355.394 2.957 20 5 FFBDRO CCC1(CNc2ncc([N+](=O)[O-])c(N)n2)CC[NH+](Cc2ccccc2)CC1 ZINC000514181321 516890320 /nfs/dbraw/zinc/89/03/20/516890320.db2.gz BCATZSXSCKKCCD-UHFFFAOYSA-N 1 0 370.457 2.902 20 5 FFBDRO Cc1nn(-c2ccccn2)c(C)c1C[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000558781799 516941773 /nfs/dbraw/zinc/94/17/73/516941773.db2.gz AQVPZJNUDLSHDV-UHFFFAOYSA-N 1 0 367.409 2.961 20 5 FFBDRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000532388305 516948132 /nfs/dbraw/zinc/94/81/32/516948132.db2.gz ODZXAMMXCFRMGD-QGZVFWFLSA-N 1 0 356.426 2.673 20 5 FFBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000525353686 517014441 /nfs/dbraw/zinc/01/44/41/517014441.db2.gz BNZSVFXHVCDXDQ-QGZVFWFLSA-N 1 0 362.474 2.947 20 5 FFBDRO CC[N@@H+]1CCCC[C@@H]1CN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000552044174 517047423 /nfs/dbraw/zinc/04/74/23/517047423.db2.gz SYQQNTPYUKSWAT-QZTJIDSGSA-N 1 0 357.458 2.882 20 5 FFBDRO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000537178358 517070302 /nfs/dbraw/zinc/07/03/02/517070302.db2.gz DOCURFGUPGKKLW-AAEUAGOBSA-N 1 0 359.430 2.931 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H](N1CCOCC1)C(F)(F)F ZINC000552096760 517075560 /nfs/dbraw/zinc/07/55/60/517075560.db2.gz KAQPJCKCRJDMOU-SWLSCSKDSA-N 1 0 361.364 2.817 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H](N1CCOCC1)C(F)(F)F ZINC000552096758 517076810 /nfs/dbraw/zinc/07/68/10/517076810.db2.gz KAQPJCKCRJDMOU-DOMZBBRYSA-N 1 0 361.364 2.817 20 5 FFBDRO COc1ccc(CC(=O)NC[C@H]2CCCC[N@@H+]2CC(C)C)cc1[N+](=O)[O-] ZINC000532691300 517100365 /nfs/dbraw/zinc/10/03/65/517100365.db2.gz DXYAPARGEZWGPM-MRXNPFEDSA-N 1 0 363.458 2.773 20 5 FFBDRO Cc1cc(N2CCC[C@@H]([NH2+][C@H]3CCc4c3cccc4[N+](=O)[O-])C2)n(C)n1 ZINC000519643217 517101443 /nfs/dbraw/zinc/10/14/43/517101443.db2.gz GPVCIJDWTCAORW-PBHICJAKSA-N 1 0 355.442 2.883 20 5 FFBDRO CC[C@@H](C)[NH2+][C@H](CNC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-])c1ccco1 ZINC000519658818 517109334 /nfs/dbraw/zinc/10/93/34/517109334.db2.gz DIDWMDOCUKNRBA-VXGBXAGGSA-N 1 0 363.418 2.894 20 5 FFBDRO CC[NH+](CC)[C@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)Cc1ccccc1 ZINC000515035437 517180919 /nfs/dbraw/zinc/18/09/19/517180919.db2.gz NRIKLUOWSROQFO-INIZCTEOSA-N 1 0 358.442 2.616 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)c1C ZINC000515100457 517210990 /nfs/dbraw/zinc/21/09/90/517210990.db2.gz WIKCTBIRGHGPAG-UONOGXRCSA-N 1 0 369.487 2.753 20 5 FFBDRO CCCC[NH+]1CCC(NS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)CC1 ZINC000541827047 517235904 /nfs/dbraw/zinc/23/59/04/517235904.db2.gz MMEYJZUEQOAZCB-UHFFFAOYSA-N 1 0 369.487 2.754 20 5 FFBDRO CC1(C)C[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]2CCC[C@@H]21 ZINC000559424973 517249423 /nfs/dbraw/zinc/24/94/23/517249423.db2.gz FTPIHDLQBCLCLL-WCQYABFASA-N 1 0 361.398 2.773 20 5 FFBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000520058907 517267089 /nfs/dbraw/zinc/26/70/89/517267089.db2.gz NBHGCPFDAMNIAN-MRXNPFEDSA-N 1 0 356.426 2.718 20 5 FFBDRO O=C(C1CC1)N1CCC([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000533088465 517289010 /nfs/dbraw/zinc/28/90/10/517289010.db2.gz CTOPWEGZQOBOPE-UHFFFAOYSA-N 1 0 369.368 2.687 20 5 FFBDRO CCc1ccc(C(=O)Nc2cccc(C[N@@H+]3CC[C@@H](O)C3)c2)cc1[N+](=O)[O-] ZINC000552516031 517290557 /nfs/dbraw/zinc/29/05/57/517290557.db2.gz GQNIPZIVIVVHTC-GOSISDBHSA-N 1 0 369.421 2.976 20 5 FFBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000541941768 517303769 /nfs/dbraw/zinc/30/37/69/517303769.db2.gz GNRJHWBUQSVCHY-NSHDSACASA-N 1 0 357.357 2.800 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C[C@H](C)OC)C(C)C ZINC000533295909 517390376 /nfs/dbraw/zinc/39/03/76/517390376.db2.gz NIADGSIRFWKSDX-ZDUSSCGKSA-N 1 0 353.419 2.677 20 5 FFBDRO CCC[C@H](C)[C@H](CC)[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000537938501 517412476 /nfs/dbraw/zinc/41/24/76/517412476.db2.gz BZRDCJJYKXAVJI-BBRMVZONSA-N 1 0 357.476 2.678 20 5 FFBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC1(C[NH+](C)C)CCC1 ZINC000556434281 517427868 /nfs/dbraw/zinc/42/78/68/517427868.db2.gz IMJJOHODQDWIJT-UHFFFAOYSA-N 1 0 370.247 2.880 20 5 FFBDRO C[C@@H](C(=O)NCCc1ccc(F)cc1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000549171754 517435368 /nfs/dbraw/zinc/43/53/68/517435368.db2.gz PDRGFCOALZUIEC-HNNXBMFYSA-N 1 0 373.428 2.956 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC(CC[NH3+])CC1 ZINC000515861453 517497730 /nfs/dbraw/zinc/49/77/30/517497730.db2.gz AARZFJIJNRAPEZ-NSHDSACASA-N 1 0 355.822 2.603 20 5 FFBDRO CCCC[C@@H](C)[C@H](C)[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000515909232 517509443 /nfs/dbraw/zinc/50/94/43/517509443.db2.gz LEFDGXAKFBDHTJ-KGLIPLIRSA-N 1 0 357.476 2.678 20 5 FFBDRO C[C@@H](C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)Cc1cccs1 ZINC000562993484 517565839 /nfs/dbraw/zinc/56/58/39/517565839.db2.gz HFWNYTAWHMASSU-UKRRQHHQSA-N 1 0 350.440 2.864 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H](C)[C@H]1COc2ccccc21 ZINC000542626204 517657763 /nfs/dbraw/zinc/65/77/63/517657763.db2.gz LDCGCEGGHAMQJW-DZGCQCFKSA-N 1 0 355.394 2.996 20 5 FFBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(OC)c(OCC)cc1[N+](=O)[O-] ZINC000553353283 517662747 /nfs/dbraw/zinc/66/27/47/517662747.db2.gz SPDWTGXKVKTHAA-ZDUSSCGKSA-N 1 0 365.430 2.606 20 5 FFBDRO CC(C)(CO)[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1cccnc1 ZINC000563137404 517687951 /nfs/dbraw/zinc/68/79/51/517687951.db2.gz DZYBRXIHBOFZHM-GOSISDBHSA-N 1 0 372.425 2.668 20 5 FFBDRO O=C(CC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)Nc1ccccn1 ZINC000538615148 517690948 /nfs/dbraw/zinc/69/09/48/517690948.db2.gz ONSLYYVOEWQFCD-INIZCTEOSA-N 1 0 354.410 2.929 20 5 FFBDRO CC(=O)NCC[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C1CCSCC1 ZINC000549852311 517745849 /nfs/dbraw/zinc/74/58/49/517745849.db2.gz ILDRDNHRGISRTI-XQRVVYSFSA-N 1 0 363.483 2.942 20 5 FFBDRO CC(C)C[C@@H](CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)[NH+](C)C ZINC000542903315 517805459 /nfs/dbraw/zinc/80/54/59/517805459.db2.gz XFVBRGZAYHJKKI-LBPRGKRZSA-N 1 0 359.373 2.902 20 5 FFBDRO C[C@@H]1C[NH+](CCCCNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C[C@@H](C)O1 ZINC000534256504 517808211 /nfs/dbraw/zinc/80/82/11/517808211.db2.gz QMAXMXOQPOXZSI-ZIAGYGMSSA-N 1 0 374.441 2.695 20 5 FFBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000516826136 517859225 /nfs/dbraw/zinc/85/92/25/517859225.db2.gz OROYAWHIIAEYGA-UGSOOPFHSA-N 1 0 373.457 2.600 20 5 FFBDRO COc1cc(CN2CC[N@H+](C)[C@H](C)[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000538953269 517861760 /nfs/dbraw/zinc/86/17/60/517861760.db2.gz LLPOWUZHYXZLGN-MNOVXSKESA-N 1 0 359.373 2.729 20 5 FFBDRO COc1cc(CN2CCC[N@@H+](C(C)(C)C)CC2)c([N+](=O)[O-])cc1OC ZINC000534348633 517865308 /nfs/dbraw/zinc/86/53/08/517865308.db2.gz GPXYBVBBVMYRDE-UHFFFAOYSA-N 1 0 351.447 2.918 20 5 FFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000530602782 517875225 /nfs/dbraw/zinc/87/52/25/517875225.db2.gz YXRLQWZFJGGEIV-INIZCTEOSA-N 1 0 362.817 2.984 20 5 FFBDRO Cc1cc(N[C@@H]2CCC[C@@H](C(=O)N(C)C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000543048677 517881057 /nfs/dbraw/zinc/88/10/57/517881057.db2.gz BEEAJHNEAWGVGU-ZIAGYGMSSA-N 1 0 356.426 2.932 20 5 FFBDRO CC(C)CCC[C@H](C)[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000539043665 517894632 /nfs/dbraw/zinc/89/46/32/517894632.db2.gz DDSMXYWHJVUOQM-AWEZNQCLSA-N 1 0 357.476 2.678 20 5 FFBDRO CC(C)CC[C@H]([NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000563473848 517923914 /nfs/dbraw/zinc/92/39/14/517923914.db2.gz KGJUEWXVBAWSLQ-KRWDZBQOSA-N 1 0 369.487 2.678 20 5 FFBDRO COc1ccc(C2([NH2+]CC(=O)Nc3ccc(OC)cc3[N+](=O)[O-])CC2)cc1 ZINC000539260211 517970290 /nfs/dbraw/zinc/97/02/90/517970290.db2.gz QVDPWBBKLBQQNF-UHFFFAOYSA-N 1 0 371.393 2.829 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@@H]3CCCS(=O)(=O)C3)o2)c1 ZINC000530780223 517973991 /nfs/dbraw/zinc/97/39/91/517973991.db2.gz PKWVWORWNHURCT-CYBMUJFWSA-N 1 0 350.396 2.522 20 5 FFBDRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000563569871 517990573 /nfs/dbraw/zinc/99/05/73/517990573.db2.gz AZSNQWYBCGWWGK-SFHVURJKSA-N 1 0 372.425 2.535 20 5 FFBDRO CC(=O)NCC[C@@H]1CCC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000553958768 517993103 /nfs/dbraw/zinc/99/31/03/517993103.db2.gz QOXSOWPCVCZVBI-HNNXBMFYSA-N 1 0 372.425 2.988 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1C[C@@H](OCC)[C@@H]1n1cccn1 ZINC000550325286 517995324 /nfs/dbraw/zinc/99/53/24/517995324.db2.gz RYDJYKGWHAVLEG-KBAYOESNSA-N 1 0 360.414 2.698 20 5 FFBDRO C[C@H]1CC[N@H+](C)CCN1C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000543284470 518003001 /nfs/dbraw/zinc/00/30/01/518003001.db2.gz YQKIQBNFAUFSDE-NSHDSACASA-N 1 0 357.863 2.893 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)n1 ZINC000557495330 518037643 /nfs/dbraw/zinc/03/76/43/518037643.db2.gz ZFFFISSVTULVRR-INIZCTEOSA-N 1 0 364.446 2.945 20 5 FFBDRO C[C@H]1CCCN(c2ccc(C(=O)NCCC[NH2+]C3CC3)cc2[N+](=O)[O-])C1 ZINC000517236969 518083597 /nfs/dbraw/zinc/08/35/97/518083597.db2.gz NJWOWXYZYBPXJL-AWEZNQCLSA-N 1 0 360.458 2.703 20 5 FFBDRO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NCc1c([N+](=O)[O-])ncn1C ZINC000543459306 518102974 /nfs/dbraw/zinc/10/29/74/518102974.db2.gz YYRPNWDDWNOATJ-MRVPVSSYSA-N 1 0 360.340 2.555 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@H]1C ZINC000531141293 518152774 /nfs/dbraw/zinc/15/27/74/518152774.db2.gz QCCGODROAOLRSH-HIFRSBDPSA-N 1 0 359.430 2.949 20 5 FFBDRO COc1cc(CNCC[N@@H+]2CC[C@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000539813154 518166946 /nfs/dbraw/zinc/16/69/46/518166946.db2.gz DKXGSDDIPBSIHL-LBPRGKRZSA-N 1 0 373.400 2.679 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@@H]1CCCC[C@H]1N1CCOCC1 ZINC000569790596 518292509 /nfs/dbraw/zinc/29/25/09/518292509.db2.gz FCHYGLWDTHCJMB-HZPDHXFCSA-N 1 0 353.850 2.981 20 5 FFBDRO C[C@H](NC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)C1=CC[N@H+](C)CC1 ZINC000564076632 518296170 /nfs/dbraw/zinc/29/61/70/518296170.db2.gz MSQPKWURFSGOKA-ZDUSSCGKSA-N 1 0 371.441 2.568 20 5 FFBDRO COC(=O)COc1cccc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000567061514 518334565 /nfs/dbraw/zinc/33/45/65/518334565.db2.gz YRZUBYKJICJIPR-QGZVFWFLSA-N 1 0 356.378 2.924 20 5 FFBDRO Cc1ncc2c(n1)CC[C@H]([NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)C2 ZINC000578721021 518340979 /nfs/dbraw/zinc/34/09/79/518340979.db2.gz IMLXBGPXODMNHZ-USXIJHARSA-N 1 0 356.430 2.521 20 5 FFBDRO CCc1cc(NC[C@H](C)[N@H+](C)C2CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000567097663 518349334 /nfs/dbraw/zinc/34/93/34/518349334.db2.gz HSHULQGGDOWBCW-ZDUSSCGKSA-N 1 0 355.442 2.931 20 5 FFBDRO C[C@H](CN1C[C@H](C)C[C@@H](C)C1)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000564202507 518349539 /nfs/dbraw/zinc/34/95/39/518349539.db2.gz MLBMUEXAGLNOCP-BZUAXINKSA-N 1 0 362.474 2.879 20 5 FFBDRO CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000581685635 518407446 /nfs/dbraw/zinc/40/74/46/518407446.db2.gz VTZBJBSJEPUYPR-CYBMUJFWSA-N 1 0 365.430 2.558 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CC[C@@H](c3ccc(Cl)cc3)C2)c1 ZINC000576100807 518428866 /nfs/dbraw/zinc/42/88/66/518428866.db2.gz FCKBMRPMJQLSMG-FRFSOERESA-N 1 0 364.833 2.732 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CC1(Cc2ccccc2)CC1 ZINC000584775971 518472908 /nfs/dbraw/zinc/47/29/08/518472908.db2.gz ZZFUDAMFSFDXNI-QGZVFWFLSA-N 1 0 356.422 2.947 20 5 FFBDRO CCOc1cccc([C@@H]2C[C@H]2[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000567346643 518477310 /nfs/dbraw/zinc/47/73/10/518477310.db2.gz SKFZNFPNGFFPAD-BPQIPLTHSA-N 1 0 372.421 2.879 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CC2CCC(c3ccccc3)CC2)c1 ZINC000567345968 518477726 /nfs/dbraw/zinc/47/77/26/518477726.db2.gz ZRYZZJFCOQYXDB-KVWWFHCMSA-N 1 0 358.442 2.716 20 5 FFBDRO CC(C)OCC[NH+]1CCC(NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000567556046 518581954 /nfs/dbraw/zinc/58/19/54/518581954.db2.gz RNUAQUBNKMVJSB-OAHLLOKOSA-N 1 0 363.458 2.704 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCCC[C@@H]1CCO ZINC000585754722 518584615 /nfs/dbraw/zinc/58/46/15/518584615.db2.gz XGLKUCSXFXAVGU-CQSZACIVSA-N 1 0 365.430 2.559 20 5 FFBDRO C[C@H]([NH3+])[C@H](C)NC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000564727783 518586082 /nfs/dbraw/zinc/58/60/82/518586082.db2.gz UVQLHBLCHOCJDK-AVGNSLFASA-N 1 0 357.414 2.628 20 5 FFBDRO C[C@@H]([NH3+])[C@@H](C)NC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000564727784 518586166 /nfs/dbraw/zinc/58/61/66/518586166.db2.gz UVQLHBLCHOCJDK-UPJWGTAASA-N 1 0 357.414 2.628 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C2CCN(c3ccccn3)CC2)n1 ZINC000585794121 518601589 /nfs/dbraw/zinc/60/15/89/518601589.db2.gz FTMDPYXHQXSCMY-IAGOWNOFSA-N 1 0 370.457 2.929 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2nnc(N3CC[NH+](CC4CC4)CC3)n2C2CC2)c1 ZINC000564805593 518623676 /nfs/dbraw/zinc/62/36/76/518623676.db2.gz FLLWUZYQCNKSKV-UHFFFAOYSA-N 1 0 368.441 2.720 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000570479203 518626478 /nfs/dbraw/zinc/62/64/78/518626478.db2.gz CIAYKMNEJIKPOH-ZDUSSCGKSA-N 1 0 368.336 2.726 20 5 FFBDRO C[NH+](C)CC1CCN(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000576514927 518629962 /nfs/dbraw/zinc/62/99/62/518629962.db2.gz DAUQDBPZSUQSNM-UHFFFAOYSA-N 1 0 373.457 2.602 20 5 FFBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000564840979 518644889 /nfs/dbraw/zinc/64/48/89/518644889.db2.gz YCLPSJVCFWIDDN-QGZVFWFLSA-N 1 0 367.833 2.619 20 5 FFBDRO CC(C)(C)CC[NH+]1CCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC1 ZINC000587405692 518678623 /nfs/dbraw/zinc/67/86/23/518678623.db2.gz VGYPKHFWRBACQL-UHFFFAOYSA-N 1 0 359.430 2.802 20 5 FFBDRO C[C@H]1CCCC[C@H]1OCC[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000570599384 518686424 /nfs/dbraw/zinc/68/64/24/518686424.db2.gz RNRSQBXNTBDNRS-WMLDXEAASA-N 1 0 370.471 2.553 20 5 FFBDRO CNC(=O)[C@@H](C[NH2+]Cc1ccccc1[N+](=O)[O-])Cc1ccc(F)cc1C ZINC000564960834 518715471 /nfs/dbraw/zinc/71/54/71/518715471.db2.gz IZNDCRGJCCIGDV-MRXNPFEDSA-N 1 0 359.401 2.737 20 5 FFBDRO CO[C@@H](C)[C@H](C)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000579604828 518762566 /nfs/dbraw/zinc/76/25/66/518762566.db2.gz MOEIYLGYBQNYHS-IUCAKERBSA-N 1 0 364.183 2.712 20 5 FFBDRO CCc1ccc(S(=O)(=O)N2CCC(CC[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000570838653 518805040 /nfs/dbraw/zinc/80/50/40/518805040.db2.gz FQKCZVNOBNMKMT-UHFFFAOYSA-N 1 0 369.487 2.510 20 5 FFBDRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3ccc(Cl)cc3[N+](=O)[O-])[C@H]2C1 ZINC000588978432 518887015 /nfs/dbraw/zinc/88/70/15/518887015.db2.gz GNYLDTUHJDOUSI-CWRNSKLLSA-N 1 0 351.834 2.985 20 5 FFBDRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CCCOc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000588979276 518887679 /nfs/dbraw/zinc/88/76/79/518887679.db2.gz JHIXLBWARJNYAN-KFKAGJAMSA-N 1 0 361.442 2.600 20 5 FFBDRO CC(C)[C@H]1C[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CCCO1 ZINC000579858521 518890555 /nfs/dbraw/zinc/89/05/55/518890555.db2.gz FDFJXHKPAYMXHH-QGZVFWFLSA-N 1 0 363.414 2.640 20 5 FFBDRO Cc1noc(C)c1CN1CCN(c2c(Cl)cncc2[N+](=O)[O-])CC1 ZINC000589105759 518915889 /nfs/dbraw/zinc/91/58/89/518915889.db2.gz VNVXSUXSUSBACN-UHFFFAOYSA-N 1 0 351.794 2.570 20 5 FFBDRO CC(C)[NH2+]CCCNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000574024326 518949946 /nfs/dbraw/zinc/94/99/46/518949946.db2.gz RKDIRCXAQHXBBO-UHFFFAOYSA-N 1 0 364.446 2.536 20 5 FFBDRO CNC(=O)[C@H](CCSC)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000579996949 518954847 /nfs/dbraw/zinc/95/48/47/518954847.db2.gz UCYHIWZSXYOTSY-HNNXBMFYSA-N 1 0 363.439 2.812 20 5 FFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC([N@H+](C)Cc2ccccc2)C1 ZINC000574065095 518972203 /nfs/dbraw/zinc/97/22/03/518972203.db2.gz SGZDCDHRFYGKDD-UHFFFAOYSA-N 1 0 369.421 2.950 20 5 FFBDRO C[C@H](CN[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F)C[NH+]1CCOCC1 ZINC000565485676 518980825 /nfs/dbraw/zinc/98/08/25/518980825.db2.gz FPUTXEYTELGRNG-DOMZBBRYSA-N 1 0 361.364 2.756 20 5 FFBDRO O=C(NCCNc1ccccc1[N+](=O)[O-])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000582922266 518988671 /nfs/dbraw/zinc/98/86/71/518988671.db2.gz PTBRBFWJGVAUPP-KRWDZBQOSA-N 1 0 368.437 2.645 20 5 FFBDRO C[C@H](Cc1c(Cl)cccc1Cl)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000583020286 519037756 /nfs/dbraw/zinc/03/77/56/519037756.db2.gz SOMNBSDHJQKLOV-PWSUYJOCSA-N 1 0 373.240 2.680 20 5 FFBDRO C[C@H](Cc1c(Cl)cccc1Cl)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000583020287 519037973 /nfs/dbraw/zinc/03/79/73/519037973.db2.gz SOMNBSDHJQKLOV-ZYHUDNBSSA-N 1 0 373.240 2.680 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC[C@@]1([NH+](C)C)CCSC1 ZINC000580176336 519044576 /nfs/dbraw/zinc/04/45/76/519044576.db2.gz PAMOZVAUXSKJBB-INIZCTEOSA-N 1 0 353.444 2.539 20 5 FFBDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3c(F)cc([N+](=O)[O-])cc3F)[C@@H]2C1 ZINC000574236202 519053882 /nfs/dbraw/zinc/05/38/82/519053882.db2.gz SASQZYLRCNELRZ-KHIZAZIESA-N 1 0 353.369 2.610 20 5 FFBDRO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000589839030 519088278 /nfs/dbraw/zinc/08/82/78/519088278.db2.gz OVILHSYRTYXROO-UHFFFAOYSA-N 1 0 367.396 2.892 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2CCSc3ccc(Cl)cc32)c1 ZINC000580277022 519092490 /nfs/dbraw/zinc/09/24/90/519092490.db2.gz NIPNCDPJKPLNGE-OCCSQVGLSA-N 1 0 368.846 2.632 20 5 FFBDRO C[C@H](c1ccccc1)[C@H]([NH2+]CCCOc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000590000483 519125163 /nfs/dbraw/zinc/12/51/63/519125163.db2.gz GLRAVSGOJCOAEO-KDOFPFPSSA-N 1 0 357.410 2.611 20 5 FFBDRO Cc1cc(NCCC[N@@H+]2CCC[C@@H]2C(N)=O)c([N+](=O)[O-])cc1C(F)(F)F ZINC000590135217 519158493 /nfs/dbraw/zinc/15/84/93/519158493.db2.gz FCBKJDMZHCIYAG-CYBMUJFWSA-N 1 0 374.363 2.674 20 5 FFBDRO CN(C)c1cccc(CN2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000590205993 519173741 /nfs/dbraw/zinc/17/37/41/519173741.db2.gz AFGBINGIGAFAGK-UHFFFAOYSA-N 1 0 368.437 2.619 20 5 FFBDRO Cc1cc(S(=O)(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)c(C)cc1[N+](=O)[O-] ZINC000583393134 519225563 /nfs/dbraw/zinc/22/55/63/519225563.db2.gz ZXOYYTYNTCMYKR-LSDHHAIUSA-N 1 0 367.471 2.507 20 5 FFBDRO CC1CC[NH+](Cc2ccc(CNc3ccc(N)c([N+](=O)[O-])n3)cc2)CC1 ZINC000590570799 519269810 /nfs/dbraw/zinc/26/98/10/519269810.db2.gz BECNFIKVCAEEJQ-UHFFFAOYSA-N 1 0 355.442 2.838 20 5 FFBDRO COC(=O)C1CC[NH+](CCCNc2cc(OC)c(C)cc2[N+](=O)[O-])CC1 ZINC000590579985 519273149 /nfs/dbraw/zinc/27/31/49/519273149.db2.gz ALUWOQZYWNMBFQ-UHFFFAOYSA-N 1 0 365.430 2.599 20 5 FFBDRO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000574689678 519282343 /nfs/dbraw/zinc/28/23/43/519282343.db2.gz VWALYUQKQUBUFC-DLBZAZTESA-N 1 0 372.469 2.657 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](c3ccccn3)C2)c1 ZINC000590602695 519285037 /nfs/dbraw/zinc/28/50/37/519285037.db2.gz VTQMLTRXAQRLKZ-RDJZCZTQSA-N 1 0 357.410 2.609 20 5 FFBDRO C[C@@H]1CCC[C@@H](CN(CC[NH3+])c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000580678086 519296417 /nfs/dbraw/zinc/29/64/17/519296417.db2.gz VJCLUAFBYFKWCM-ZIAGYGMSSA-N 1 0 369.487 2.590 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)c1 ZINC000590656886 519303535 /nfs/dbraw/zinc/30/35/35/519303535.db2.gz FSEXDIZUDBNOHP-CGTJXYLNSA-N 1 0 362.426 2.897 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH+]2CCC3(CCC(O)CC3)CC2)c1 ZINC000590654701 519303719 /nfs/dbraw/zinc/30/37/19/519303719.db2.gz JCLRFJALDPVQJC-UHFFFAOYSA-N 1 0 362.426 2.899 20 5 FFBDRO CC(C)(C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C1(O)CCCC1 ZINC000590663621 519307092 /nfs/dbraw/zinc/30/70/92/519307092.db2.gz MAQMPCZAOWOOLF-UHFFFAOYSA-N 1 0 350.415 2.787 20 5 FFBDRO CC(C)[C@@H](C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1cccnc1 ZINC000583559545 519309831 /nfs/dbraw/zinc/30/98/31/519309831.db2.gz AOPLWYHMXOQMKF-DLBZAZTESA-N 1 0 359.426 2.759 20 5 FFBDRO C[C@@H]1C[C@H](C)N(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C[C@@H]1C[NH3+] ZINC000574758375 519317087 /nfs/dbraw/zinc/31/70/87/519317087.db2.gz XGNAANILUZFVPK-VYDXJSESSA-N 1 0 374.485 2.643 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2csc(N3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)n2)cc1 ZINC000590688582 519317806 /nfs/dbraw/zinc/31/78/06/519317806.db2.gz QRBUSXCUINUTLA-IAGOWNOFSA-N 1 0 374.466 2.754 20 5 FFBDRO C[C@H](C(=O)NC1(C(F)(F)F)CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000574866119 519373350 /nfs/dbraw/zinc/37/33/50/519373350.db2.gz ASJFHWVPGKCROX-NSHDSACASA-N 1 0 359.348 2.841 20 5 FFBDRO CCC[NH+]1CCC(N[C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000583684553 519381157 /nfs/dbraw/zinc/38/11/57/519381157.db2.gz XNWZIMBBJOHANK-SFHVURJKSA-N 1 0 357.458 2.882 20 5 FFBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000578030769 519381764 /nfs/dbraw/zinc/38/17/64/519381764.db2.gz PTXDBFLVOWLZIB-SNVBAGLBSA-N 1 0 370.247 2.737 20 5 FFBDRO C[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H](O)Cc1ccccc1 ZINC000566233091 519383727 /nfs/dbraw/zinc/38/37/27/519383727.db2.gz XREHEMHTKLQQMS-RDTXWAMCSA-N 1 0 357.410 2.505 20 5 FFBDRO CCOCCC[N@@H+]1CC[C@H](Nc2c([N+](=O)[O-])nc(C)n2CC)[C@H](C)C1 ZINC000578159842 519450370 /nfs/dbraw/zinc/45/03/70/519450370.db2.gz ZHYLNGBDGGEDOG-HIFRSBDPSA-N 1 0 353.467 2.669 20 5 FFBDRO CC(C)([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C(=O)Nc1ccccc1 ZINC000591018804 519479375 /nfs/dbraw/zinc/47/93/75/519479375.db2.gz YEXNLIOZMIMRHR-UHFFFAOYSA-N 1 0 370.409 2.930 20 5 FFBDRO CN(C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1(C[NH3+])CCC1 ZINC000578231803 519487550 /nfs/dbraw/zinc/48/75/50/519487550.db2.gz LBBUXFOBICTVDO-UHFFFAOYSA-N 1 0 374.363 2.755 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC[C@@H]([NH+]3CCOCC3)CC2)c2cccnc21 ZINC000566484846 519516565 /nfs/dbraw/zinc/51/65/65/519516565.db2.gz YGELQHCQJOHVDL-OAHLLOKOSA-N 1 0 356.426 2.834 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC[C@H]([NH+]3CCOCC3)CC2)c2cccnc21 ZINC000566484845 519516841 /nfs/dbraw/zinc/51/68/41/519516841.db2.gz YGELQHCQJOHVDL-HNNXBMFYSA-N 1 0 356.426 2.834 20 5 FFBDRO O=C(NC[C@@H]1CCCC[NH2+]1)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000591306403 519582514 /nfs/dbraw/zinc/58/25/14/519582514.db2.gz MFGZCXNELWPIHR-JTQLQIEISA-N 1 0 357.208 2.621 20 5 FFBDRO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N[C@H]1CCC[NH2+]CC1 ZINC000591357230 519607135 /nfs/dbraw/zinc/60/71/35/519607135.db2.gz QOCJFOWIVCYWFF-LBPRGKRZSA-N 1 0 360.336 2.555 20 5 FFBDRO CC[C@@H]1CN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000591356425 519607154 /nfs/dbraw/zinc/60/71/54/519607154.db2.gz XZPFCLBYQIXPJR-BXUZGUMPSA-N 1 0 354.838 2.560 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000591451121 519627632 /nfs/dbraw/zinc/62/76/32/519627632.db2.gz OXDGZPRQUATPAJ-JKSUJKDBSA-N 1 0 367.471 2.507 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H](O)[C@H]1CCc1ccccc1 ZINC000602851524 519924310 /nfs/dbraw/zinc/92/43/10/519924310.db2.gz LOIRZUISEHHLNW-QZTJIDSGSA-N 1 0 358.442 2.558 20 5 FFBDRO Nc1cc(N2CCC[C@H](C[NH+]3CCCCCC3)C2)cc(CO)c1[N+](=O)[O-] ZINC000612400282 519939822 /nfs/dbraw/zinc/93/98/22/519939822.db2.gz JBQQKEKPCWIDCP-OAHLLOKOSA-N 1 0 362.474 2.762 20 5 FFBDRO CC[N@H+]1[C@H](C)CN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC000602875149 519942234 /nfs/dbraw/zinc/94/22/34/519942234.db2.gz WNMGNDXWXUTZGS-TXEJJXNPSA-N 1 0 354.838 2.601 20 5 FFBDRO COc1ccc(OCC[N@@H+]2CCC=C(c3cnn(C)c3)C2)c([N+](=O)[O-])c1 ZINC000602886107 519948977 /nfs/dbraw/zinc/94/89/77/519948977.db2.gz GYWPMTZSCQSLNR-UHFFFAOYSA-N 1 0 358.398 2.505 20 5 FFBDRO Cn1ccnc1[C@@H](N[C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000591582261 519958951 /nfs/dbraw/zinc/95/89/51/519958951.db2.gz BXHWZJMIMWXRDK-WBVHZDCISA-N 1 0 355.442 2.682 20 5 FFBDRO CCC1([NH+]2CCCC2)CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000602948902 519989725 /nfs/dbraw/zinc/98/97/25/519989725.db2.gz FVCIUCKKAMHEHL-UHFFFAOYSA-N 1 0 374.485 2.898 20 5 FFBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CC[NH2+]CC3(C)C)cc2[N+](=O)[O-])C1 ZINC000591677847 519994291 /nfs/dbraw/zinc/99/42/91/519994291.db2.gz HAKBLQVGFWMOQI-HUUCEWRRSA-N 1 0 374.485 2.901 20 5 FFBDRO [NH3+][C@H]1CCC[C@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000591685123 519999262 /nfs/dbraw/zinc/99/92/62/519999262.db2.gz XJDSQRDSELNENZ-JQWIXIFHSA-N 1 0 370.247 2.534 20 5 FFBDRO CC[N@@H+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2CC2)C[C@H]1C ZINC000597407062 520005962 /nfs/dbraw/zinc/00/59/62/520005962.db2.gz QVTXGDQGAAYCRF-CQSZACIVSA-N 1 0 370.457 2.794 20 5 FFBDRO Cc1c(NC(=O)CC[N@@H+]2CC[C@H](O)[C@H]3CCCC[C@H]32)cccc1[N+](=O)[O-] ZINC000602997804 520012634 /nfs/dbraw/zinc/01/26/34/520012634.db2.gz RCABYIWXZAOPDW-QGTPRVQTSA-N 1 0 361.442 2.857 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CCc1ccc(F)cc1Cl ZINC000591740930 520018055 /nfs/dbraw/zinc/01/80/55/520018055.db2.gz JICXXKNSVHXZEK-CQSZACIVSA-N 1 0 368.792 2.959 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@H]2COc3c2cccc3Cl)c1 ZINC000591753810 520023020 /nfs/dbraw/zinc/02/30/20/520023020.db2.gz LLASVOUFTDWSPO-LRDDRELGSA-N 1 0 364.785 2.711 20 5 FFBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[NH2+]C2(CCCCC2)C1 ZINC000594628775 520060966 /nfs/dbraw/zinc/06/09/66/520060966.db2.gz JPWPMGZXHAXVFE-UHFFFAOYSA-N 1 0 356.426 2.753 20 5 FFBDRO O=C(c1c[nH]c2cccc([N+](=O)[O-])c21)N1CCCN(c2cc[nH+]cc2)CC1 ZINC000603083255 520069020 /nfs/dbraw/zinc/06/90/20/520069020.db2.gz JBSINCONAAPXSM-UHFFFAOYSA-N 1 0 365.393 2.824 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CCc2ccnc3ccccc23)c1 ZINC000594716241 520108047 /nfs/dbraw/zinc/10/80/47/520108047.db2.gz MZBHCRHYYODDJV-KRWDZBQOSA-N 1 0 367.405 2.715 20 5 FFBDRO O=[N+]([O-])c1cc2c(cc1CNc1ccc([C@H]3C[NH2+]CCO3)cc1)OCCO2 ZINC000594738275 520124967 /nfs/dbraw/zinc/12/49/67/520124967.db2.gz CMGATETUVILTLZ-LJQANCHMSA-N 1 0 371.393 2.639 20 5 FFBDRO COc1ccc(-c2ccc(C[NH2+]CCCn3cncn3)o2)c([N+](=O)[O-])c1 ZINC000608835800 520140403 /nfs/dbraw/zinc/14/04/03/520140403.db2.gz SMZYRVSFXDPUNO-UHFFFAOYSA-N 1 0 357.370 2.635 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000594791307 520160040 /nfs/dbraw/zinc/16/00/40/520160040.db2.gz NWDXKHWYGFOISE-AWEZNQCLSA-N 1 0 369.487 2.610 20 5 FFBDRO O=C1CCc2cc([N+](=O)[O-])c(Nc3cnn(-c4cc[nH+]cc4)c3)cc2N1 ZINC000608909377 520161143 /nfs/dbraw/zinc/16/11/43/520161143.db2.gz KVIVLBOVRFMKHG-UHFFFAOYSA-N 1 0 350.338 2.804 20 5 FFBDRO C[C@H]1COCC[N@@H+]1C1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000597680599 520172848 /nfs/dbraw/zinc/17/28/48/520172848.db2.gz XENDZLIEJFFUSP-ZDUSSCGKSA-N 1 0 373.409 2.666 20 5 FFBDRO COc1ccc(CC(=O)Nc2cccc(OCC[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000609011373 520176962 /nfs/dbraw/zinc/17/69/62/520176962.db2.gz SQVCUPMPTUBYSC-UHFFFAOYSA-N 1 0 373.409 2.725 20 5 FFBDRO COc1ccc(-c2ccc(C[NH2+]C3CCN(C(C)=O)CC3)o2)c([N+](=O)[O-])c1 ZINC000609006664 520177490 /nfs/dbraw/zinc/17/74/90/520177490.db2.gz OXQXFKNDTZABRI-UHFFFAOYSA-N 1 0 373.409 2.964 20 5 FFBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000597699203 520183218 /nfs/dbraw/zinc/18/32/18/520183218.db2.gz IPBRUOFOVCQKIK-YPMHNXCESA-N 1 0 355.822 2.568 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)C2CC[NH+](C)CC2)cc1SC ZINC000609136021 520203940 /nfs/dbraw/zinc/20/39/40/520203940.db2.gz IWKMYJJXHZPNEG-LLVKDONJSA-N 1 0 367.471 2.785 20 5 FFBDRO Cn1cc(CC[N@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)cn1 ZINC000592130999 520205813 /nfs/dbraw/zinc/20/58/13/520205813.db2.gz OSSMSKWHBKYHCC-IYARVYRRSA-N 1 0 358.442 2.677 20 5 FFBDRO Cc1cccc(C)c1C[N@H+](CC(C)C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000592138793 520215076 /nfs/dbraw/zinc/21/50/76/520215076.db2.gz CTDUHGIZVGJOKI-GOSISDBHSA-N 1 0 360.458 2.927 20 5 FFBDRO CO[C@@H](C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CCOC1 ZINC000594948856 520224304 /nfs/dbraw/zinc/22/43/04/520224304.db2.gz AVBKHQYMYAZTDH-CJNGLKHVSA-N 1 0 363.439 2.859 20 5 FFBDRO Cc1ncc2c(n1)CC[N@@H+](CCc1ncc(-c3cccc([N+](=O)[O-])c3)o1)C2 ZINC000609193267 520226655 /nfs/dbraw/zinc/22/66/55/520226655.db2.gz XGXJIWMRYGKKKC-UHFFFAOYSA-N 1 0 365.393 2.949 20 5 FFBDRO CC(C)(C)N1C[C@H](C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1=O ZINC000594992051 520245580 /nfs/dbraw/zinc/24/55/80/520245580.db2.gz ACPJFKOWFQWGAT-NSHDSACASA-N 1 0 371.384 2.933 20 5 FFBDRO C[C@@H]1CC2(C[N@@H+]1[C@H]1CCN(c3cccc([N+](=O)[O-])c3)C1=O)CCOCC2 ZINC000592183920 520249781 /nfs/dbraw/zinc/24/97/81/520249781.db2.gz LFJILTUSDNKZTN-PBHICJAKSA-N 1 0 359.426 2.591 20 5 FFBDRO CC(C)(C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)[C@]1(O)CCCOC1 ZINC000594997489 520249723 /nfs/dbraw/zinc/24/97/23/520249723.db2.gz XGMQYZLZQVEYLG-KRWDZBQOSA-N 1 0 374.384 2.854 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H]1CCCN(c2ncccn2)C1 ZINC000595010196 520254910 /nfs/dbraw/zinc/25/49/10/520254910.db2.gz IQCMFUSZIIRDHW-KGLIPLIRSA-N 1 0 357.414 2.713 20 5 FFBDRO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)[C@]12CCCO2 ZINC000595033738 520263775 /nfs/dbraw/zinc/26/37/75/520263775.db2.gz SWKRHAAHPXHFLW-QRVDHSFSSA-N 1 0 350.415 2.981 20 5 FFBDRO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)[C@H]1n1cccn1 ZINC000595039614 520265777 /nfs/dbraw/zinc/26/57/77/520265777.db2.gz UHAUJKVHXNZJRD-UOAMXJAYSA-N 1 0 360.414 2.869 20 5 FFBDRO Cn1ccnc1[C@@H](N[C@@H]1CC[N@@H+](C(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000595056503 520272439 /nfs/dbraw/zinc/27/24/39/520272439.db2.gz KAFKUOFDGUBJCL-WBVHZDCISA-N 1 0 357.458 2.880 20 5 FFBDRO CS(=O)(=O)CC1(CC[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000595059680 520273665 /nfs/dbraw/zinc/27/36/65/520273665.db2.gz HKKYKBDDSZFAFD-INIZCTEOSA-N 1 0 352.456 2.777 20 5 FFBDRO CCOc1ccc([C@H](C)[NH2+]CCC2(CS(C)(=O)=O)CC2)cc1[N+](=O)[O-] ZINC000595063054 520274488 /nfs/dbraw/zinc/27/44/88/520274488.db2.gz ZYJQTPSYISRLIR-ZDUSSCGKSA-N 1 0 370.471 2.859 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000597857339 520284190 /nfs/dbraw/zinc/28/41/90/520284190.db2.gz DUVNYXZRDXCNDY-HNNXBMFYSA-N 1 0 360.458 2.798 20 5 FFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC000595095189 520291639 /nfs/dbraw/zinc/29/16/39/520291639.db2.gz GLYWICATEKLMCD-BHIYHBOVSA-N 1 0 357.454 2.815 20 5 FFBDRO Cc1sc(C(=O)NCC2CC[NH+](C3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000597877266 520298841 /nfs/dbraw/zinc/29/88/41/520298841.db2.gz GTNMPIPYVJMTHU-UHFFFAOYSA-N 1 0 367.471 2.586 20 5 FFBDRO O=[N+]([O-])c1cccnc1NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000603591399 520319433 /nfs/dbraw/zinc/31/94/33/520319433.db2.gz XBEMHCHGIAPWEW-UHFFFAOYSA-N 1 0 355.442 2.610 20 5 FFBDRO Cc1cc(C(=O)N2CC[C@H](c3cccc(F)c3)[C@H]([NH3+])C2)cc([N+](=O)[O-])c1 ZINC000595223776 520357954 /nfs/dbraw/zinc/35/79/54/520357954.db2.gz AMFILACLRGGPAR-QZTJIDSGSA-N 1 0 357.385 2.999 20 5 FFBDRO COc1cc(C[NH2+]CCc2cn3c(cccc3C)n2)c([N+](=O)[O-])cc1OC ZINC000592379382 520359525 /nfs/dbraw/zinc/35/95/25/520359525.db2.gz NADCYEPFRQTLSJ-UHFFFAOYSA-N 1 0 370.409 2.900 20 5 FFBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000595225270 520359552 /nfs/dbraw/zinc/35/95/52/520359552.db2.gz LYJKKSMPMSOUQZ-LPHOPBHVSA-N 1 0 370.453 2.930 20 5 FFBDRO CCO[C@@H]1C[C@@H]([NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)[C@@H]1SC ZINC000592393495 520365449 /nfs/dbraw/zinc/36/54/49/520365449.db2.gz BPWNLRLTPFTVJM-YTBGYOSVSA-N 1 0 354.476 2.774 20 5 FFBDRO Cc1c(CNC(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)cccc1[N+](=O)[O-] ZINC000595246819 520369752 /nfs/dbraw/zinc/36/97/52/520369752.db2.gz QFHZMIMNEKMEDQ-SFHVURJKSA-N 1 0 370.409 2.886 20 5 FFBDRO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C1CCCCC1 ZINC000603956607 520415373 /nfs/dbraw/zinc/41/53/73/520415373.db2.gz WYVUXJHJIXMCJM-HNNXBMFYSA-N 1 0 373.450 2.523 20 5 FFBDRO C[C@@H](NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000609731656 520416197 /nfs/dbraw/zinc/41/61/97/520416197.db2.gz HMTYBTGWMJWDJY-GFCCVEGCSA-N 1 0 369.849 2.864 20 5 FFBDRO C[NH+](C)CCOc1ccc(NC(=O)c2cc([N+](=O)[O-])c[nH]2)cc1Cl ZINC000609738001 520417490 /nfs/dbraw/zinc/41/74/90/520417490.db2.gz ADFIYVLJHNZVOB-UHFFFAOYSA-N 1 0 352.778 2.769 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCCc2cccc(C[NH3+])c21 ZINC000600724303 520426452 /nfs/dbraw/zinc/42/64/52/520426452.db2.gz SELFJBPYXVEBNL-UHFFFAOYSA-N 1 0 354.410 2.753 20 5 FFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@@H]2CCCS(=O)(=O)C2)s1 ZINC000609851534 520456865 /nfs/dbraw/zinc/45/68/65/520456865.db2.gz WVVTVAKVCGSLPY-GFCCVEGCSA-N 1 0 366.464 2.990 20 5 FFBDRO O=C(N[C@@H]1CC[NH2+]C12CCCC2)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000592570024 520457858 /nfs/dbraw/zinc/45/78/58/520457858.db2.gz JMMKCHNDWDAKFK-QGZVFWFLSA-N 1 0 358.442 2.600 20 5 FFBDRO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@H+](Cc4cncs4)CC3)nc2c1 ZINC000595431175 520466063 /nfs/dbraw/zinc/46/60/63/520466063.db2.gz DUOXJHXAJKVUES-UHFFFAOYSA-N 1 0 358.427 2.640 20 5 FFBDRO C[C@@H]1C[C@H]([N@@H+]2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)CCO1 ZINC000595431112 520466892 /nfs/dbraw/zinc/46/68/92/520466892.db2.gz CLBRRVMJZLLGMK-ZIAGYGMSSA-N 1 0 359.430 2.551 20 5 FFBDRO C[C@H](c1ccccc1)[C@@H](CO)[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000613390164 520481201 /nfs/dbraw/zinc/48/12/01/520481201.db2.gz ZMCICEADUJPEBX-CXAGYDPISA-N 1 0 368.393 2.899 20 5 FFBDRO C[NH2+]C1(CNC(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)CCC1 ZINC000600826018 520491066 /nfs/dbraw/zinc/49/10/66/520491066.db2.gz WVAPUWFAENGCTB-GASCZTMLSA-N 1 0 374.485 2.949 20 5 FFBDRO CCOC(=O)c1ccnc(NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000609963933 520491308 /nfs/dbraw/zinc/49/13/08/520491308.db2.gz JQVKYJWUSCZYCS-QWHCGFSZSA-N 1 0 350.419 2.841 20 5 FFBDRO Cn1cc([C@H]2C[N@H+](Cc3ccc(F)cc3[N+](=O)[O-])CC23CCOCC3)cn1 ZINC000595513504 520521967 /nfs/dbraw/zinc/52/19/67/520521967.db2.gz FUQLUGUUBBNIRK-QGZVFWFLSA-N 1 0 374.416 2.864 20 5 FFBDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000598261312 520524819 /nfs/dbraw/zinc/52/48/19/520524819.db2.gz QHPHLDAEHZFHCK-LBPRGKRZSA-N 1 0 355.385 2.652 20 5 FFBDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000598261311 520525792 /nfs/dbraw/zinc/52/57/92/520525792.db2.gz QHPHLDAEHZFHCK-GFCCVEGCSA-N 1 0 355.385 2.652 20 5 FFBDRO COC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC(C)C)C1CCOCC1 ZINC000595613655 520594765 /nfs/dbraw/zinc/59/47/65/520594765.db2.gz CYHLWDJVGSMOBN-KRWDZBQOSA-N 1 0 352.431 2.913 20 5 FFBDRO CCCN(C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)[C@H]1CC[N@H+](C)C1 ZINC000592828863 520604495 /nfs/dbraw/zinc/60/44/95/520604495.db2.gz KFWMLAZFEMPZQU-LBPRGKRZSA-N 1 0 357.357 2.753 20 5 FFBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000604573292 520609359 /nfs/dbraw/zinc/60/93/59/520609359.db2.gz DAPZLRPWKAIPTM-INIZCTEOSA-N 1 0 373.409 2.668 20 5 FFBDRO C[C@@H]1C[C@@H]1N1C[C@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1=O ZINC000610272797 520615864 /nfs/dbraw/zinc/61/58/64/520615864.db2.gz OJDHQHBTELIVAW-XNJGSVPQSA-N 1 0 355.394 2.954 20 5 FFBDRO CC(=O)c1ccc(OC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000601070364 520623647 /nfs/dbraw/zinc/62/36/47/520623647.db2.gz QLSXLPIFZYQGIV-HXUWFJFHSA-N 1 0 370.405 2.813 20 5 FFBDRO C[N@@H+](Cc1ccc(Cl)cc1Cl)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000610335349 520640729 /nfs/dbraw/zinc/64/07/29/520640729.db2.gz LILQZIUTCXNADR-ZDUSSCGKSA-N 1 0 359.213 2.591 20 5 FFBDRO COc1ccc(-c2ccc(C[NH2+]CC[C@H](O)C(F)F)o2)c([N+](=O)[O-])c1 ZINC000601147545 520659060 /nfs/dbraw/zinc/65/90/60/520659060.db2.gz RCWDJGHXESZTLR-AWEZNQCLSA-N 1 0 356.325 2.969 20 5 FFBDRO COc1ccc(COCC[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000610391526 520663954 /nfs/dbraw/zinc/66/39/54/520663954.db2.gz OZUUDIKUVBKMQG-INIZCTEOSA-N 1 0 372.425 2.701 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC2(CCCC2)OC[C@@H]1C[NH+](C)C ZINC000598535316 520687374 /nfs/dbraw/zinc/68/73/74/520687374.db2.gz AXHMGWRHIQHTMX-INIZCTEOSA-N 1 0 361.442 2.619 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@]2(C)CCCC[C@@H]2C(=O)OC)c1 ZINC000593019873 520687839 /nfs/dbraw/zinc/68/78/39/520687839.db2.gz RRWIVFLRUNGJQT-RDTXWAMCSA-N 1 0 364.398 2.593 20 5 FFBDRO O=C(Cc1ccc(F)cc1[N+](=O)[O-])NCCC[N@@H+]1CCc2ccccc2C1 ZINC000593030214 520695324 /nfs/dbraw/zinc/69/53/24/520695324.db2.gz JEZMBXJIRBEFRZ-UHFFFAOYSA-N 1 0 371.412 2.841 20 5 FFBDRO C[C@H]([NH2+][C@H]1CCC[C@@H]1Cc1cnn(C)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000595769563 520711173 /nfs/dbraw/zinc/71/11/73/520711173.db2.gz KBPLKMHLYVHERH-JOQOYGCGSA-N 1 0 371.441 2.656 20 5 FFBDRO C[C@H]([NH2+][C@H]1CCC[C@H]1Cc1cnn(C)c1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000595768714 520711378 /nfs/dbraw/zinc/71/13/78/520711378.db2.gz GOZVLGWCLQZWLG-BPUTZDHNSA-N 1 0 371.441 2.656 20 5 FFBDRO O=C(C[N@@H+]1CCC[C@H]([C@@H]2CCCCO2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000595788975 520724733 /nfs/dbraw/zinc/72/47/33/520724733.db2.gz ORIQCFFAMLUADY-LPHOPBHVSA-N 1 0 373.453 2.765 20 5 FFBDRO COc1ccc(C[C@@H]2CCCC[N@@H+]2CCn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000593085567 520734922 /nfs/dbraw/zinc/73/49/22/520734922.db2.gz ZPEVWOQCZWUDNE-KRWDZBQOSA-N 1 0 371.437 2.862 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H](C)OCC12CCC2 ZINC000593094227 520741284 /nfs/dbraw/zinc/74/12/84/520741284.db2.gz YCADOUBFLXYZIB-CYBMUJFWSA-N 1 0 363.414 2.575 20 5 FFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](CN2CCCC2=O)C1 ZINC000595832388 520756029 /nfs/dbraw/zinc/75/60/29/520756029.db2.gz PENWOYVMBAXMJG-OAHLLOKOSA-N 1 0 361.442 2.826 20 5 FFBDRO CC[NH+](CC)[C@H](C)CNC(=O)c1cccc(Cn2nc([N+](=O)[O-])cc2C)c1 ZINC000593145207 520778761 /nfs/dbraw/zinc/77/87/61/520778761.db2.gz NHDZVHIJIDTQIX-OAHLLOKOSA-N 1 0 373.457 2.608 20 5 FFBDRO CCOC(=O)CC1([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CCOCC1 ZINC000595873540 520783580 /nfs/dbraw/zinc/78/35/80/520783580.db2.gz CUZBNKAWIZXNHC-UHFFFAOYSA-N 1 0 356.806 2.840 20 5 FFBDRO C[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C[C@H]1CCc2ccccc21 ZINC000595882213 520790312 /nfs/dbraw/zinc/79/03/12/520790312.db2.gz ZJNUHGMBYWTYNV-SJLPKXTDSA-N 1 0 356.422 2.996 20 5 FFBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2[C@H](C)C[N@H+](C)[C@H](C)[C@@H]2C)cc1OC ZINC000593188160 520810444 /nfs/dbraw/zinc/81/04/44/520810444.db2.gz WWZMRGRAPJDZFP-UPJWGTAASA-N 1 0 365.430 2.555 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@@H]([NH3+])CCc2ccccc21 ZINC000595904389 520811139 /nfs/dbraw/zinc/81/11/39/520811139.db2.gz XEJZZQWYIQEJGM-HNNXBMFYSA-N 1 0 354.410 2.622 20 5 FFBDRO CCOc1cc(C(=O)N2[C@H](C)C[N@H+](C)[C@H](C)[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000593187408 520811403 /nfs/dbraw/zinc/81/14/03/520811403.db2.gz KCGOVPXLLHNWAQ-UPJWGTAASA-N 1 0 365.430 2.555 20 5 FFBDRO C[C@@H]1[C@@H](C)[N@@H+](C)C[C@H](C)N1C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000593189610 520813832 /nfs/dbraw/zinc/81/38/32/520813832.db2.gz VOMSYWOUBLPUJM-HBNTYKKESA-N 1 0 357.357 2.749 20 5 FFBDRO O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000601559606 520841330 /nfs/dbraw/zinc/84/13/30/520841330.db2.gz UZAVXFUKHRLOCZ-GXFFZTMASA-N 1 0 357.332 2.828 20 5 FFBDRO O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000601560919 520842058 /nfs/dbraw/zinc/84/20/58/520842058.db2.gz ZCFJREVTYSFVBY-BBRMVZONSA-N 1 0 372.450 2.932 20 5 FFBDRO C[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)[C@@H]1CC[NH3+] ZINC000596015145 520860466 /nfs/dbraw/zinc/86/04/66/520860466.db2.gz YXAHNWQGQJXAIM-ZIAGYGMSSA-N 1 0 366.437 2.524 20 5 FFBDRO COc1cc(C[NH+](C)C)ccc1NC(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000601620034 520868936 /nfs/dbraw/zinc/86/89/36/520868936.db2.gz FKRFOLJCDDJLSV-UHFFFAOYSA-N 1 0 373.409 2.991 20 5 FFBDRO COc1ccccc1[C@@H](CNc1cc[nH]c(=O)c1[N+](=O)[O-])[NH+]1CCCC1 ZINC000596056018 520883193 /nfs/dbraw/zinc/88/31/93/520883193.db2.gz VBZGSDDPRWMMBH-OAHLLOKOSA-N 1 0 358.398 2.953 20 5 FFBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2ccc(Br)c(F)c2F)c1 ZINC000598967846 520949011 /nfs/dbraw/zinc/94/90/11/520949011.db2.gz OOURTKYBTGIGBF-UHFFFAOYSA-N 1 0 361.146 2.622 20 5 FFBDRO CCC1([NH+](C)C)CCN(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000601791946 520955545 /nfs/dbraw/zinc/95/55/45/520955545.db2.gz RQOSWYGOFBHYDZ-UHFFFAOYSA-N 1 0 361.442 2.891 20 5 FFBDRO Cn1cc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000598993521 520966541 /nfs/dbraw/zinc/96/65/41/520966541.db2.gz DDIRSUUJOSFIDL-OAHLLOKOSA-N 1 0 357.458 2.817 20 5 FFBDRO COc1ccc(CN2CC[C@@H]2C[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000598993019 520966717 /nfs/dbraw/zinc/96/67/17/520966717.db2.gz IEWDHOQIIJXIGZ-QGZVFWFLSA-N 1 0 371.437 2.976 20 5 FFBDRO C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCS1(=O)=O ZINC000599003514 520974756 /nfs/dbraw/zinc/97/47/56/520974756.db2.gz JJLQEGNGYUKDDO-BXUZGUMPSA-N 1 0 366.464 2.989 20 5 FFBDRO CN(c1ccccc1)c1ccc(C[NH2+][C@H]2C[C@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000599003735 520975083 /nfs/dbraw/zinc/97/50/83/520975083.db2.gz NDMYIGDVMBYLGB-SHTZXODSSA-N 1 0 354.410 2.716 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@@H](n2cccn2)C(F)(F)F)n1 ZINC000599055560 521002709 /nfs/dbraw/zinc/00/27/09/521002709.db2.gz HVLPGVYBPRXWGI-JHJVBQTASA-N 1 0 372.351 2.865 20 5 FFBDRO CC[N@@H+]1CCCN(c2ccc([N+](=O)[O-])c(C(=O)OC)c2Cl)[C@@H](C)C1 ZINC000596270237 521002977 /nfs/dbraw/zinc/00/29/77/521002977.db2.gz XEXRNDBWEPWCPW-NSHDSACASA-N 1 0 355.822 2.955 20 5 FFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CCCN1CC(F)F ZINC000599066147 521010456 /nfs/dbraw/zinc/01/04/56/521010456.db2.gz RJWXALVRZXEBOZ-DOMZBBRYSA-N 1 0 370.400 2.631 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@H](CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000596309324 521021685 /nfs/dbraw/zinc/02/16/85/521021685.db2.gz YNTAHTVWFMYDDY-SNVBAGLBSA-N 1 0 361.489 2.592 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000599088361 521024618 /nfs/dbraw/zinc/02/46/18/521024618.db2.gz QKDLMOPOOPZAML-ZDUSSCGKSA-N 1 0 371.393 2.964 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H]1CN(Cc2ccncc2)CCO1 ZINC000599089065 521026799 /nfs/dbraw/zinc/02/67/99/521026799.db2.gz WWQQWYJHILNOBC-VQIMIIECSA-N 1 0 370.453 2.850 20 5 FFBDRO COc1cccc(C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)CC(C)C)c1 ZINC000611185027 521028789 /nfs/dbraw/zinc/02/87/89/521028789.db2.gz LFRKQUQMTKXGPE-UHFFFAOYSA-N 1 0 359.426 2.923 20 5 FFBDRO C[NH+](C)Cc1cccc(N[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c1 ZINC000601930058 521031208 /nfs/dbraw/zinc/03/12/08/521031208.db2.gz DLVAYDDCBFOWPT-GOSISDBHSA-N 1 0 354.410 2.874 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000599121694 521040549 /nfs/dbraw/zinc/04/05/49/521040549.db2.gz VLFMQCLOGXSYMC-ZWKOTPCHSA-N 1 0 369.421 2.565 20 5 FFBDRO CC[NH+]1CCC(CNC(=O)c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000599152040 521058105 /nfs/dbraw/zinc/05/81/05/521058105.db2.gz DLGPBSKCKKBIDR-UHFFFAOYSA-N 1 0 370.247 2.819 20 5 FFBDRO CC1([NH+]2CCOCC2)CCN(c2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000599160152 521063373 /nfs/dbraw/zinc/06/33/73/521063373.db2.gz HZQTXJALHXGSIC-UHFFFAOYSA-N 1 0 356.426 2.834 20 5 FFBDRO O=[N+]([O-])c1cccc(Cl)c1NC[C@H]1CN(Cc2ccncc2)CCO1 ZINC000599183772 521076122 /nfs/dbraw/zinc/07/61/22/521076122.db2.gz UMVWGQZRSSISJY-AWEZNQCLSA-N 1 0 362.817 2.956 20 5 FFBDRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000596449987 521077571 /nfs/dbraw/zinc/07/75/71/521077571.db2.gz QLHHEIPRXNOSRU-LBPRGKRZSA-N 1 0 371.869 2.642 20 5 FFBDRO CCc1nn(C)c(N2CCC[N@H+](Cc3ccccc3C)CC2)c1[N+](=O)[O-] ZINC000611280747 521077687 /nfs/dbraw/zinc/07/76/87/521077687.db2.gz DZXXOCOPAGUUHN-UHFFFAOYSA-N 1 0 357.458 2.911 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1C(F)(F)F ZINC000596541605 521123410 /nfs/dbraw/zinc/12/34/10/521123410.db2.gz ZVNJWJYOZMJBRG-ZDUSSCGKSA-N 1 0 359.348 2.649 20 5 FFBDRO O=[N+]([O-])c1cnccc1NCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000611373333 521125293 /nfs/dbraw/zinc/12/52/93/521125293.db2.gz JEHMPCYMZZMTKU-UHFFFAOYSA-N 1 0 356.426 2.541 20 5 FFBDRO COc1cccc2c1OC[C@H]([NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)C2 ZINC000618568623 521128548 /nfs/dbraw/zinc/12/85/48/521128548.db2.gz LPUNSRQTNIPCIV-BZUAXINKSA-N 1 0 372.425 2.877 20 5 FFBDRO C[NH+](C)CCC[C@@H]1CN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CCO1 ZINC000596565288 521134112 /nfs/dbraw/zinc/13/41/12/521134112.db2.gz DGJVYWDVRXFOKU-CYBMUJFWSA-N 1 0 359.373 2.743 20 5 FFBDRO COc1ccc(CN2CC[C@@H]2C(=O)NCCc2ccccc2[N+](=O)[O-])cc1 ZINC000602110717 521148992 /nfs/dbraw/zinc/14/89/92/521148992.db2.gz PZQCKZBFLCARJL-LJQANCHMSA-N 1 0 369.421 2.537 20 5 FFBDRO CS[C@H]1CN(c2ncnc3ccc([N+](=O)[O-])cc32)C[C@H]1[NH+]1CCCC1 ZINC000614822101 521153760 /nfs/dbraw/zinc/15/37/60/521153760.db2.gz HZIQSUINELRJKL-CVEARBPZSA-N 1 0 359.455 2.554 20 5 FFBDRO CCN1C[C@H](C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1=O ZINC000593686336 521155665 /nfs/dbraw/zinc/15/56/65/521155665.db2.gz GYKYDJCSSWZFGN-LBPRGKRZSA-N 1 0 360.439 2.676 20 5 FFBDRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593729865 521180440 /nfs/dbraw/zinc/18/04/40/521180440.db2.gz CIYILVAUZATNQO-INIZCTEOSA-N 1 0 351.422 2.903 20 5 FFBDRO COc1cc(N2C[C@@H](SC)[C@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])cc1F ZINC000614977756 521218715 /nfs/dbraw/zinc/21/87/15/521218715.db2.gz IQMSWEUZMQEYFI-GDBMZVCRSA-N 1 0 355.435 2.759 20 5 FFBDRO CN(CC[NH+]1CCCCC1)C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000593884327 521273222 /nfs/dbraw/zinc/27/32/22/521273222.db2.gz WVYFANCVRIXHJF-UHFFFAOYSA-N 1 0 357.357 2.754 20 5 FFBDRO C[NH+](C)CC[C@@H](N)C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000593910388 521284875 /nfs/dbraw/zinc/28/48/75/521284875.db2.gz VLALDMFYCIZFHX-QGZVFWFLSA-N 1 0 358.398 2.605 20 5 FFBDRO C[C@H](CNc1ncnc2ccc([N+](=O)[O-])cc21)[N@@H+]1CCc2ccccc2C1 ZINC000611703513 521288016 /nfs/dbraw/zinc/28/80/16/521288016.db2.gz UAAHNTDKUCNECF-CQSZACIVSA-N 1 0 363.421 2.819 20 5 FFBDRO CC(C)OCC[NH+]1CCC(Nc2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000611704663 521289303 /nfs/dbraw/zinc/28/93/03/521289303.db2.gz ACWIEDJQUPOUBV-UHFFFAOYSA-N 1 0 359.430 2.839 20 5 FFBDRO CCc1ccc(C(=O)N2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cc1[N+](=O)[O-] ZINC000593919654 521292352 /nfs/dbraw/zinc/29/23/52/521292352.db2.gz WMAJWWNSSXKSRB-NUJGCVRESA-N 1 0 361.442 2.658 20 5 FFBDRO O=[N+]([O-])c1ccc2ncnc(N3CC[C@@H](OCC[NH+]4CCCCC4)C3)c2c1 ZINC000611712254 521293427 /nfs/dbraw/zinc/29/34/27/521293427.db2.gz ZCJVURVCUYEQHV-MRXNPFEDSA-N 1 0 371.441 2.619 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000596891935 521360572 /nfs/dbraw/zinc/36/05/72/521360572.db2.gz YFNDGUTVPUUATG-ZDUSSCGKSA-N 1 0 350.419 2.988 20 5 FFBDRO Cn1cc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c([N+](=O)[O-])n1 ZINC000602481690 521369875 /nfs/dbraw/zinc/36/98/75/521369875.db2.gz CTQRBOLFCYRHCI-HKUYNNGSSA-N 1 0 369.469 2.815 20 5 FFBDRO C[C@H]1C[C@H](NC(=O)c2c(Br)cccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000599659915 521373478 /nfs/dbraw/zinc/37/34/78/521373478.db2.gz LSMQKTVMFWJUDU-UWVGGRQHSA-N 1 0 368.231 2.712 20 5 FFBDRO C[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC2(CCCCC2)O1 ZINC000594057195 521378226 /nfs/dbraw/zinc/37/82/26/521378226.db2.gz ASZAZVITQIHWDQ-HZPDHXFCSA-N 1 0 364.442 2.758 20 5 FFBDRO CC(C)COC[C@H](O)C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602524539 521393733 /nfs/dbraw/zinc/39/37/33/521393733.db2.gz LJTFPEZAOIIJDW-CYBMUJFWSA-N 1 0 350.337 2.737 20 5 FFBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]CCN3CCc4sccc4C3)nc2c1 ZINC000602531248 521395811 /nfs/dbraw/zinc/39/58/11/521395811.db2.gz UXFAZFJPJYEDHQ-UHFFFAOYSA-N 1 0 358.423 2.945 20 5 FFBDRO Cc1ccncc1[C@@H](C)[NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000611938879 521401172 /nfs/dbraw/zinc/40/11/72/521401172.db2.gz AWIXYCKUPPEZDP-CYBMUJFWSA-N 1 0 356.382 2.947 20 5 FFBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@H](CN1CCCCC1)c1ccccc1 ZINC000611938549 521401841 /nfs/dbraw/zinc/40/18/41/521401841.db2.gz NYWNEHWIUYAYRN-LJQANCHMSA-N 1 0 370.453 2.573 20 5 FFBDRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000594102623 521404029 /nfs/dbraw/zinc/40/40/29/521404029.db2.gz NCYUDGKKCJMEIN-VDISTLRHSA-N 1 0 360.439 2.788 20 5 FFBDRO NC(=O)[C@H]1CCC[C@@H]([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602552023 521408508 /nfs/dbraw/zinc/40/85/08/521408508.db2.gz RLYIHNZSERODOG-JGVFFNPUSA-N 1 0 362.249 2.553 20 5 FFBDRO COC[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccc(C)o1 ZINC000602564694 521414040 /nfs/dbraw/zinc/41/40/40/521414040.db2.gz NTMCOXNATPRGRF-MRXNPFEDSA-N 1 0 360.414 2.837 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3[C@@H]4CCO[C@H]4C34CCCC4)CC2)cn1 ZINC000602582430 521422531 /nfs/dbraw/zinc/42/25/31/521422531.db2.gz OVTVOOIYWWNCNM-QXAKKESOSA-N 1 0 372.469 2.896 20 5 FFBDRO CCc1nn(C)c(CC)c1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602582528 521422916 /nfs/dbraw/zinc/42/29/16/521422916.db2.gz QKQRPVUXZCPJBE-UHFFFAOYSA-N 1 0 372.473 2.607 20 5 FFBDRO C[N@@H+]1CCC[C@H](CCNC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)C1 ZINC000597091222 521496359 /nfs/dbraw/zinc/49/63/59/521496359.db2.gz YRYFRYYHEZFXMZ-SNVBAGLBSA-N 1 0 355.826 2.684 20 5 FFBDRO C[C@@H]1C[C@@H](NC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)c2nccn21 ZINC000597090589 521496490 /nfs/dbraw/zinc/49/64/90/521496490.db2.gz OHMXJUWBEDCAMW-GMSGAONNSA-N 1 0 350.766 2.854 20 5 FFBDRO CC[NH+]1CCC(CNC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)CC1 ZINC000599830375 521499522 /nfs/dbraw/zinc/49/95/22/521499522.db2.gz RTACCPYKKWFYGK-UHFFFAOYSA-N 1 0 357.414 2.996 20 5 FFBDRO Nc1c(NC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc(Cl)cc1[N+](=O)[O-] ZINC000597095658 521501504 /nfs/dbraw/zinc/50/15/04/521501504.db2.gz ZMGKERNUXWGRMH-GHMZBOCLSA-N 1 0 353.810 2.579 20 5 FFBDRO CN(Cc1cc(Br)c([N+](=O)[O-])s1)[C@H]1C[NH+]2CCC1CC2 ZINC000602752921 521515624 /nfs/dbraw/zinc/51/56/24/521515624.db2.gz XESRTVAEEQFRLP-LBPRGKRZSA-N 1 0 360.277 2.945 20 5 FFBDRO CCOC(=O)C1CCC([NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000602752777 521516675 /nfs/dbraw/zinc/51/66/75/521516675.db2.gz UOQLSRZOXROSSB-UHFFFAOYSA-N 1 0 364.398 2.578 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000602781282 521528889 /nfs/dbraw/zinc/52/88/89/521528889.db2.gz SCMJTTQWZIMUEI-SFHVURJKSA-N 1 0 358.442 2.823 20 5 FFBDRO Cn1cc(C[NH2+][C@H]2CCC[C@H]2Oc2cc(F)cc(F)c2)c([N+](=O)[O-])n1 ZINC000602825517 521554594 /nfs/dbraw/zinc/55/45/94/521554594.db2.gz CKLYIJJEQZYBAW-LSDHHAIUSA-N 1 0 352.341 2.696 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC000602826619 521555037 /nfs/dbraw/zinc/55/50/37/521555037.db2.gz WMMJJXHFZRGGFM-KRWDZBQOSA-N 1 0 364.833 2.745 20 5 FFBDRO COC(=O)COc1ccc(C[N@@H+]2CC[C@@H](c3ccco3)C2)cc1[N+](=O)[O-] ZINC000616136123 521628609 /nfs/dbraw/zinc/62/86/09/521628609.db2.gz XJZBLUFZEHBVHY-CQSZACIVSA-N 1 0 360.366 2.729 20 5 FFBDRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000619566972 521773263 /nfs/dbraw/zinc/77/32/63/521773263.db2.gz DRCOALBQGRNWFD-MRXNPFEDSA-N 1 0 360.458 2.751 20 5 FFBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]C[C@H](CO)CC1CCCC1)OCCO2 ZINC000619599327 521790479 /nfs/dbraw/zinc/79/04/79/521790479.db2.gz MBOSYPWPDFAMKC-CQSZACIVSA-N 1 0 350.415 2.644 20 5 FFBDRO COc1ccc(C[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2)cc1[N+](=O)[O-] ZINC000821802965 599393666 /nfs/dbraw/zinc/39/36/66/599393666.db2.gz ADWUVFSPSPDOIM-LLVKDONJSA-N 1 0 354.370 2.634 20 5 FFBDRO C[NH+](C)[C@H](CNc1ccc(-c2nn[nH]n2)c([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000821581363 606644793 /nfs/dbraw/zinc/64/47/93/606644793.db2.gz JJALKPHSAORXTA-MRXNPFEDSA-N 1 0 371.376 2.629 20 5 FFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)cc1 ZINC000826498449 608509679 /nfs/dbraw/zinc/50/96/79/608509679.db2.gz VFFURRCBBWQWFM-SFHVURJKSA-N 1 0 364.409 2.985 20 5 FFBDRO Cc1c(C)c(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)ncc1[N+](=O)[O-] ZINC001164729004 720395244 /nfs/dbraw/zinc/39/52/44/720395244.db2.gz UQTKTTMJIOJYQB-SJORKVTESA-N 1 0 353.426 2.855 20 5 FFBDRO O=[N+]([O-])c1c[nH]c2ccc(N3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)nc21 ZINC001164724697 720403106 /nfs/dbraw/zinc/40/31/06/720403106.db2.gz KOCZLXGWUSWNIN-JKSUJKDBSA-N 1 0 364.409 2.719 20 5 FFBDRO Cc1nc(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]2C)ccc1[N+](=O)[O-] ZINC001164858492 720925451 /nfs/dbraw/zinc/92/54/51/720925451.db2.gz NNQMQDZRRWUMPW-CQSZACIVSA-N 1 0 358.446 2.916 20 5 FFBDRO Cc1nc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001164896265 721511526 /nfs/dbraw/zinc/51/15/26/721511526.db2.gz AESSGNGEUAHDJU-NVXWUHKLSA-N 1 0 372.400 2.779 20 5 FFBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164897251 721512006 /nfs/dbraw/zinc/51/20/06/721512006.db2.gz FNQHHVCHYADCEU-AEFFLSMTSA-N 1 0 372.400 2.779 20 5 FFBDRO C[NH+](C)[C@@H]1CCCN(c2nc(C(F)(F)F)nc(Cl)c2[N+](=O)[O-])C1 ZINC001165036517 721896330 /nfs/dbraw/zinc/89/63/30/721896330.db2.gz SFDDBPIKFDUHDI-SSDOTTSWSA-N 1 0 353.732 2.587 20 5 FFBDRO O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001165046097 721971200 /nfs/dbraw/zinc/97/12/00/721971200.db2.gz BBAKGDCUVRBETI-ZDUSSCGKSA-N 1 0 354.838 2.726 20 5 FFBDRO CC(C)[C@@H](C[NH+](C)C)NC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000159088686 728900721 /nfs/dbraw/zinc/90/07/21/728900721.db2.gz OGDBHEXUKSUNAL-LLVKDONJSA-N 1 0 358.236 2.673 20 5 FFBDRO C[C@@H]1CCC[N@@H+]1CCNC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000898039362 735306261 /nfs/dbraw/zinc/30/62/61/735306261.db2.gz ZTYMWUJGWFQHSW-LLVKDONJSA-N 1 0 370.247 2.500 20 5 FFBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCc2ncc(Br)n2C1 ZINC000898727032 735400966 /nfs/dbraw/zinc/40/09/66/735400966.db2.gz QDBUDAQCHWFZQK-NSHDSACASA-N 1 0 351.204 2.658 20 5 FFBDRO O=[N+]([O-])c1cc(Br)ccc1NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000112209252 728543125 /nfs/dbraw/zinc/54/31/25/728543125.db2.gz YCAFIDOFSBCMIU-VXGBXAGGSA-N 1 0 356.220 2.632 20 5 FFBDRO Cc1c(C(=O)NC[C@@H](CC(C)C)[NH+](C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000114377061 728559925 /nfs/dbraw/zinc/55/99/25/728559925.db2.gz NJRLEYULGQNPLL-CYBMUJFWSA-N 1 0 352.391 2.518 20 5 FFBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)C1 ZINC000906840625 736549946 /nfs/dbraw/zinc/54/99/46/736549946.db2.gz KCEALVJLDAADNF-LLVKDONJSA-N 1 0 354.838 2.634 20 5 FFBDRO CN1CC[NH+](CCCCNc2cccc(Br)c2[N+](=O)[O-])CC1 ZINC000856723306 730350075 /nfs/dbraw/zinc/35/00/75/730350075.db2.gz LNBRVCITCVYAGT-UHFFFAOYSA-N 1 0 371.279 2.797 20 5 FFBDRO CCn1c(CC[NH3+])nnc1Sc1cccc(Br)c1[N+](=O)[O-] ZINC000856734493 730351805 /nfs/dbraw/zinc/35/18/05/730351805.db2.gz TWQBXOYOVCKPBN-UHFFFAOYSA-N 1 0 372.248 2.621 20 5 FFBDRO O=[N+]([O-])c1c(Br)cccc1NC[C@@H]1CCC[N@H+]1CCCO ZINC000856761587 730355667 /nfs/dbraw/zinc/35/56/67/730355667.db2.gz RTRGGBZTVCDXHI-NSHDSACASA-N 1 0 358.236 2.616 20 5 FFBDRO C[C@H]1CC[C@H](NC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C[NH2+]1 ZINC000859667324 730462398 /nfs/dbraw/zinc/46/23/98/730462398.db2.gz GABYFAOQDCGRGQ-WPRPVWTQSA-N 1 0 357.208 2.619 20 5 FFBDRO C[C@H]1C[NH+](CCCCNC(=O)c2cccc([N+](=O)[O-])c2Cl)C[C@H](C)O1 ZINC000859942403 730469979 /nfs/dbraw/zinc/46/99/79/730469979.db2.gz UCRDVDALUSVBMH-STQMWFEESA-N 1 0 369.849 2.867 20 5 FFBDRO O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000861985102 730658710 /nfs/dbraw/zinc/65/87/10/730658710.db2.gz DGPAANCOOAEEDZ-UHFFFAOYSA-N 1 0 367.833 2.575 20 5 FFBDRO CCOC(=O)C1=CC[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000862487851 730704811 /nfs/dbraw/zinc/70/48/11/730704811.db2.gz WPANNPHOJVVVCW-LBPRGKRZSA-N 1 0 356.325 2.938 20 5 FFBDRO CN(C)C(=O)C1CCN(Cc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000768194423 737405713 /nfs/dbraw/zinc/40/57/13/737405713.db2.gz ZABQMIHHXRTZIX-UHFFFAOYSA-N 1 0 370.247 2.658 20 5 FFBDRO C[N@@H+]1CCC[C@H](N2CCN(c3ccc([N+](=O)[O-])cc3C(F)F)CC2)C1 ZINC000865541469 730968254 /nfs/dbraw/zinc/96/82/54/730968254.db2.gz HCGOLVZAWHQRHW-AWEZNQCLSA-N 1 0 354.401 2.749 20 5 FFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1ccccc1S(C)(=O)=O ZINC000866377012 731053326 /nfs/dbraw/zinc/05/33/26/731053326.db2.gz ZPWBFYPQLUFXKH-LBPRGKRZSA-N 1 0 366.414 2.858 20 5 FFBDRO Cc1cc(S(=O)(=O)NC2CCC(C)([NH+](C)C)CC2)c([N+](=O)[O-])s1 ZINC000867742036 731219774 /nfs/dbraw/zinc/21/97/74/731219774.db2.gz XPKKIEKVBLVGME-UHFFFAOYSA-N 1 0 361.489 2.506 20 5 FFBDRO CSc1ccc(CCNC(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)cc1 ZINC000867976191 731247477 /nfs/dbraw/zinc/24/74/77/731247477.db2.gz WYYPILOODKZOSE-SFHVURJKSA-N 1 0 359.451 2.850 20 5 FFBDRO C[NH+](C)CC1(NC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)CCC1 ZINC000868020454 731252173 /nfs/dbraw/zinc/25/21/73/731252173.db2.gz GSGYZTYOLRECBX-UHFFFAOYSA-N 1 0 370.247 2.500 20 5 FFBDRO COc1cc(C[NH2+]CC[C@H](N(C)C)C(F)(F)F)c([N+](=O)[O-])cc1OC ZINC000922753221 738195703 /nfs/dbraw/zinc/19/57/03/738195703.db2.gz MZDAJLMIGZIPAK-AWEZNQCLSA-N 1 0 365.352 2.584 20 5 FFBDRO C[N@@H+]1CCN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CCC1(C)C ZINC000871156045 731601226 /nfs/dbraw/zinc/60/12/26/731601226.db2.gz LWYIMFDGARRQPL-UHFFFAOYSA-N 1 0 357.357 2.753 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H]1CS(=O)(=O)c2ccccc21 ZINC000873130041 731878569 /nfs/dbraw/zinc/87/85/69/731878569.db2.gz YFNRYZGEYZBUAR-AWEZNQCLSA-N 1 0 360.435 2.872 20 5 FFBDRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000874832567 732105185 /nfs/dbraw/zinc/10/51/85/732105185.db2.gz FXRPAPWJXNNTGN-CHWSQXEVSA-N 1 0 355.341 2.505 20 5 FFBDRO O=C(c1c(Br)cccc1[N+](=O)[O-])N1CCC2(C1)CC[NH2+]CC2 ZINC000876793067 732281743 /nfs/dbraw/zinc/28/17/43/732281743.db2.gz FTUCMEQOGHBSOI-UHFFFAOYSA-N 1 0 368.231 2.573 20 5 FFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]Cc3cccc(OCC(F)F)c3)C2)c1 ZINC000877023254 732313347 /nfs/dbraw/zinc/31/33/47/732313347.db2.gz KKMRRRGYBUAWIG-UHFFFAOYSA-N 1 0 352.341 2.929 20 5 FFBDRO CC1(C)CC[C@@H](CNC(=O)c2c(Br)cccc2[N+](=O)[O-])[NH2+]C1 ZINC000877151579 732328887 /nfs/dbraw/zinc/32/88/87/732328887.db2.gz NNFFNMJZRQUIMW-JTQLQIEISA-N 1 0 370.247 2.865 20 5 FFBDRO C[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)C1CC[NH2+]CC1 ZINC000877255107 732337448 /nfs/dbraw/zinc/33/74/48/732337448.db2.gz OXCSFTQVQRXXCE-QMMMGPOBSA-N 1 0 374.210 2.614 20 5 FFBDRO O=[N+]([O-])c1ccc(Cl)c(CN2CCC[C@@H]([NH2+]C3CCOCC3)C2)c1 ZINC000880208564 732866120 /nfs/dbraw/zinc/86/61/20/732866120.db2.gz JGIRHWXFYZTHSV-OAHLLOKOSA-N 1 0 353.850 2.981 20 5 FFBDRO O=[N+]([O-])c1cc(Br)ccc1C[NH2+][C@@H]1CCOC12CCOCC2 ZINC000926850433 738661255 /nfs/dbraw/zinc/66/12/55/738661255.db2.gz RCPWTTNQCRSSMM-CQSZACIVSA-N 1 0 371.231 2.785 20 5 FFBDRO C[C@@H]1CN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CCN1c1cc[nH+]cc1 ZINC000881637035 733077423 /nfs/dbraw/zinc/07/74/23/733077423.db2.gz XCDUNZTYUFVIBG-GFCCVEGCSA-N 1 0 360.801 2.994 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H]1CCC2(CCOCC2)O1 ZINC000927022254 738682304 /nfs/dbraw/zinc/68/23/04/738682304.db2.gz YTMKGOPIYMCCHX-UKRRQHHQSA-N 1 0 350.415 2.982 20 5 FFBDRO CCOc1cc(NC(=O)NCCCC[N@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000888831570 734103494 /nfs/dbraw/zinc/10/34/94/734103494.db2.gz LWZCGMPZHCDJHI-UHFFFAOYSA-N 1 0 350.419 2.989 20 5 FFBDRO C[NH+](C)CC1CN(c2c3ccc(Br)cc3ncc2[N+](=O)[O-])C1 ZINC000894022666 734788258 /nfs/dbraw/zinc/78/82/58/734788258.db2.gz ZTZHFCLXJQDUBB-UHFFFAOYSA-N 1 0 365.231 2.903 20 5 FFBDRO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000894081741 734797962 /nfs/dbraw/zinc/79/79/62/734797962.db2.gz BGTYOZVNGPYKQT-MWLCHTKSSA-N 1 0 366.361 2.526 20 5 FFBDRO COc1c(O)ccc(C[N@@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC000894484069 734866766 /nfs/dbraw/zinc/86/67/66/734866766.db2.gz BJDGXHNMVWFLDO-KGLIPLIRSA-N 1 0 350.415 2.948 20 5 FFBDRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000895278162 734985818 /nfs/dbraw/zinc/98/58/18/734985818.db2.gz HYAUGPWRINPLHB-GFCCVEGCSA-N 1 0 360.801 2.994 20 5 FFBDRO Cn1cc([C@H](O)C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)cn1 ZINC000742376595 735234570 /nfs/dbraw/zinc/23/45/70/735234570.db2.gz YYDUOYYARNHXBH-MRXNPFEDSA-N 1 0 358.423 2.880 20 5 FFBDRO C[NH+](C)[C@]1(CNC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCSC1 ZINC000748646724 735661382 /nfs/dbraw/zinc/66/13/82/735661382.db2.gz LVMKMMMHNPNCGP-AWEZNQCLSA-N 1 0 358.851 2.807 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@H]2CC[C@@H](C(F)(F)F)O2)n1 ZINC000903180166 736050033 /nfs/dbraw/zinc/05/00/33/736050033.db2.gz YCGIYMODMYWLRV-XQHKEYJVSA-N 1 0 362.352 2.975 20 5 FFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1nc(CN(C)C)cs1 ZINC000903218992 736057270 /nfs/dbraw/zinc/05/72/70/736057270.db2.gz CSNOCUMTHOBMLO-LLVKDONJSA-N 1 0 352.435 2.973 20 5 FFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC1(C2(O)CCOCC2)CC1 ZINC000903346513 736078266 /nfs/dbraw/zinc/07/82/66/736078266.db2.gz KSRZQBKQIFYFBJ-ZDUSSCGKSA-N 1 0 352.406 2.576 20 5 FFBDRO C[C@@H]1CC[N@H+](CCNC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 ZINC000755022771 736227418 /nfs/dbraw/zinc/22/74/18/736227418.db2.gz YDYGWDMXXXPJDK-SECBINFHSA-N 1 0 374.210 2.568 20 5 FFBDRO C[N@@H+]1CCC[C@H](NC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000755031273 736228267 /nfs/dbraw/zinc/22/82/67/736228267.db2.gz UPWKIHZLAMNZBO-JTQLQIEISA-N 1 0 357.208 2.573 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CC[C@@H]2CCCC2(F)F)cc1 ZINC000905423198 736339088 /nfs/dbraw/zinc/33/90/88/736339088.db2.gz MOEDDDDOMUSFNU-LBPRGKRZSA-N 1 0 362.398 2.784 20 5 FFBDRO CC(C)[NH2+][C@H]1CCCN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000757257222 736399299 /nfs/dbraw/zinc/39/92/99/736399299.db2.gz YUBHQGGHPXULGE-ZDUSSCGKSA-N 1 0 354.838 2.920 20 5 FFBDRO CS[C@@H]1CN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C[C@H]1[NH+]1CCCC1 ZINC000758790910 736521376 /nfs/dbraw/zinc/52/13/76/736521376.db2.gz IVVJOPQPNUCKBN-QOCAVEGASA-N 1 0 361.467 2.646 20 5 FFBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC000908148681 736726912 /nfs/dbraw/zinc/72/69/12/736726912.db2.gz UJLPTVIEAZMEPQ-CMPLNLGQSA-N 1 0 352.822 2.529 20 5 FFBDRO O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000762986020 736890034 /nfs/dbraw/zinc/89/00/34/736890034.db2.gz YSKAHWIFPNCHLR-AWEZNQCLSA-N 1 0 367.833 2.575 20 5 FFBDRO C[N@@H+]1CCCC[C@@H]1CCOC(=O)c1cc([N+](=O)[O-])ccc1SCCO ZINC000763744489 736965381 /nfs/dbraw/zinc/96/53/81/736965381.db2.gz NBRDOXDCODZDRE-CYBMUJFWSA-N 1 0 368.455 2.710 20 5 FFBDRO C[C@H](NC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12)c1cccc([N+](=O)[O-])c1 ZINC000914240143 737536511 /nfs/dbraw/zinc/53/65/11/737536511.db2.gz ZMEQQCZUFHMMIA-VBNZEHGJSA-N 1 0 364.471 2.535 20 5 FFBDRO CS[C@H]1CN(c2ccc([N+](=O)[O-])cc2Br)C[C@H]1[NH+](C)C ZINC000774536942 737998905 /nfs/dbraw/zinc/99/89/05/737998905.db2.gz QEYNGOKEOORYJO-OLZOCXBDSA-N 1 0 360.277 2.839 20 5 FFBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]C[C@H]1CC[C@H](C(F)(F)F)O1)OCCO2 ZINC000922463483 738149534 /nfs/dbraw/zinc/14/95/34/738149534.db2.gz SAEKWJJXVWQKFP-QMTHXVAHSA-N 1 0 362.304 2.566 20 5 FFBDRO CC1(C)O[C@@H]2C[C@@H]([NH2+]Cc3cc([N+](=O)[O-])ccc3OC(F)F)C[C@@H]2O1 ZINC000922874700 738212965 /nfs/dbraw/zinc/21/29/65/738212965.db2.gz AGYYSSCTYUKWGJ-OJNYZHBWSA-N 1 0 358.341 2.968 20 5 FFBDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC000923317695 738270428 /nfs/dbraw/zinc/27/04/28/738270428.db2.gz VNISYZNQHNZLTG-DZGCQCFKSA-N 1 0 351.834 2.876 20 5 FFBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000778010109 738342124 /nfs/dbraw/zinc/34/21/24/738342124.db2.gz LAYTYZFVIDKBQJ-ZDUSSCGKSA-N 1 0 373.450 2.537 20 5 FFBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[C@@H]([NH+](C)C)[C@H]1C ZINC000931047504 739203776 /nfs/dbraw/zinc/20/37/76/739203776.db2.gz ZXCXGWKFDMUCPH-UEKVPHQBSA-N 1 0 354.838 2.600 20 5 FFBDRO O=C(Nc1cccc([N+](=O)[O-])c1Cl)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000931296831 739239846 /nfs/dbraw/zinc/23/98/46/739239846.db2.gz ALAMZDJIFJOQFB-GWCFXTLKSA-N 1 0 370.862 2.950 20 5 FFBDRO Cc1ccc(OS(=O)(=O)c2ccc(C[NH+](C)C)cc2)c([N+](=O)[O-])c1 ZINC000788422623 739243899 /nfs/dbraw/zinc/24/38/99/739243899.db2.gz ZUHSYHNCKMOWQG-UHFFFAOYSA-N 1 0 350.396 2.733 20 5 FFBDRO C[C@](O)(C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)c1cccs1 ZINC000788436218 739244877 /nfs/dbraw/zinc/24/48/77/739244877.db2.gz KLFRWJQSWFJQJE-ZENOOKHLSA-N 1 0 350.444 2.834 20 5 FFBDRO C[C@](CO)([NH2+]C[C@@H]1CCC[C@@H](C(F)(F)F)O1)c1cccc([N+](=O)[O-])c1 ZINC000931469735 739270378 /nfs/dbraw/zinc/27/03/78/739270378.db2.gz FOORVJNYBOMPLR-SOUVJXGZSA-N 1 0 362.348 2.892 20 5 FFBDRO Nc1cc[nH+]c2c1CN(Cc1ccc(Br)c([N+](=O)[O-])c1)CC2 ZINC000931519074 739279048 /nfs/dbraw/zinc/27/90/48/739279048.db2.gz RCXNKDSWWPEULP-UHFFFAOYSA-N 1 0 363.215 2.893 20 5 FFBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000790556414 739469304 /nfs/dbraw/zinc/46/93/04/739469304.db2.gz GDBKJTQHYZVAOG-VXGBXAGGSA-N 1 0 357.813 2.919 20 5 FFBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000790667754 739483636 /nfs/dbraw/zinc/48/36/36/739483636.db2.gz FNEYGTCMFVZDJJ-GFCCVEGCSA-N 1 0 355.797 2.530 20 5 FFBDRO CC[NH+](CC)C[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000790881068 739508212 /nfs/dbraw/zinc/50/82/12/739508212.db2.gz VDZMTXHKWUBVIF-NSHDSACASA-N 1 0 363.867 2.565 20 5 FFBDRO O=C1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Br)CCCCCN1 ZINC000934152771 739736419 /nfs/dbraw/zinc/73/64/19/739736419.db2.gz PFPPLXJSTXPJGB-UHFFFAOYSA-N 1 0 370.247 2.850 20 5 FFBDRO O=C(C[NH2+][C@@H]1CCOC12CCCC2)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000934392915 739780452 /nfs/dbraw/zinc/78/04/52/739780452.db2.gz RFRUADQCSGJHOJ-CQSZACIVSA-N 1 0 353.806 2.878 20 5 FFBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(Cl)cc(Cl)c3[N+](=O)[O-])C[C@@H]2C1 ZINC000793930737 739827681 /nfs/dbraw/zinc/82/76/81/739827681.db2.gz ZLMJFLBMHSFDTL-ZJUUUORDSA-N 1 0 358.225 2.925 20 5 FFBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cc(Cl)c(F)c([N+](=O)[O-])c3N)CC[C@H]21 ZINC000934892541 739862403 /nfs/dbraw/zinc/86/24/03/739862403.db2.gz XVMLUSMOGMKLCE-JOYOIKCWSA-N 1 0 370.812 2.526 20 5 FFBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)CC1 ZINC000935652790 739988323 /nfs/dbraw/zinc/98/83/23/739988323.db2.gz YGEKWEZZTLFSCH-VIFPVBQESA-N 1 0 358.801 2.526 20 5 FFBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000796434436 740142979 /nfs/dbraw/zinc/14/29/79/740142979.db2.gz LOVIJPTZGCIBNP-GXTWGEPZSA-N 1 0 366.849 2.745 20 5 FFBDRO C[N@@H+]1CCCC[C@H]1CCC(=O)OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000803859759 740836046 /nfs/dbraw/zinc/83/60/46/740836046.db2.gz VVZADDDMQXXGAQ-ZDUSSCGKSA-N 1 0 351.359 2.811 20 5 FFBDRO COCC[N@@H+]1CCCN(c2ccc(C)c(Br)c2[N+](=O)[O-])CC1 ZINC000804353337 740862780 /nfs/dbraw/zinc/86/27/80/740862780.db2.gz ICGGQUIUQUSMAC-UHFFFAOYSA-N 1 0 372.263 2.824 20 5 FFBDRO Cc1ccc(NC[C@H](C)N2CC[NH+](C)CC2)c([N+](=O)[O-])c1Br ZINC000804421181 740871151 /nfs/dbraw/zinc/87/11/51/740871151.db2.gz JUQLVMWNPFZVFS-LBPRGKRZSA-N 1 0 371.279 2.714 20 5 FFBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000818000132 742227904 /nfs/dbraw/zinc/22/79/04/742227904.db2.gz HEHWEIMFVNRPRS-NHYWBVRUSA-N 1 0 369.824 2.920 20 5 FFBDRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000818009837 742229335 /nfs/dbraw/zinc/22/93/35/742229335.db2.gz BVWOTMMHRDTRPZ-GDBMZVCRSA-N 1 0 367.833 2.607 20 5 FFBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000818591703 742281572 /nfs/dbraw/zinc/28/15/72/742281572.db2.gz JOOUKFXDBXWMDF-INIZCTEOSA-N 1 0 355.797 2.532 20 5 FFBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000820502960 742512102 /nfs/dbraw/zinc/51/21/02/742512102.db2.gz DCYLURQUBBDCEG-LDYMZIIASA-N 1 0 374.210 2.661 20 5 FFBDRO C[C@@H](CNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)C[NH+](C)C ZINC000821564917 742642916 /nfs/dbraw/zinc/64/29/16/742642916.db2.gz XHODDPYZJQFUFS-VIFPVBQESA-N 1 0 359.224 2.677 20 5 FFBDRO O=C(N[C@H]1CC[C@H]([NH2+]Cc2c(F)cccc2Cl)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001034643397 742927213 /nfs/dbraw/zinc/92/72/13/742927213.db2.gz NUWPOQUGYBROFD-DSZLRUIBSA-N 1 0 369.824 2.661 20 5 FFBDRO O=C(N[C@H]1CC[C@H]([NH2+]Cc2ccc(F)c(Cl)c2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001034643935 742928528 /nfs/dbraw/zinc/92/85/28/742928528.db2.gz VNSAGBPGIYAYSZ-BRXULGCHSA-N 1 0 369.824 2.661 20 5 FFBDRO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000824644949 743121501 /nfs/dbraw/zinc/12/15/01/743121501.db2.gz VEKTXCPZZDLVJQ-NWDGAFQWSA-N 1 0 353.419 2.995 20 5 FFBDRO Cc1cc(Cl)ccc1C[NH+]1CCC(C)(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001045436978 743273960 /nfs/dbraw/zinc/27/39/60/743273960.db2.gz ZSXDBIPKTFRHHK-HZPDHXFCSA-N 1 0 365.861 2.784 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2csc(NC[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)n2)cc1 ZINC000827497334 743589782 /nfs/dbraw/zinc/58/97/82/743589782.db2.gz UMPHOOYDKAPDKA-HUUCEWRRSA-N 1 0 360.439 2.993 20 5 FFBDRO C[C@H]1CN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000830083160 745303425 /nfs/dbraw/zinc/30/34/25/745303425.db2.gz ZEDCEMDSUNSHKQ-LBPRGKRZSA-N 1 0 366.849 2.603 20 5 FFBDRO O=C(C[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000831159704 745492563 /nfs/dbraw/zinc/49/25/63/745492563.db2.gz XZCFWIUIDYJQNJ-BJJXKVORSA-N 1 0 367.833 2.812 20 5 FFBDRO COc1cc(C(=O)OCC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c([N+](=O)[O-])cc1F ZINC000835601292 746048026 /nfs/dbraw/zinc/04/80/26/746048026.db2.gz JHQKJZLWBWBSBH-YOGCLGLASA-N 1 0 352.362 2.772 20 5 FFBDRO CC(C)[NH+]1CCC(N(C)CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000839479888 746835242 /nfs/dbraw/zinc/83/52/42/746835242.db2.gz MZACMEWPFJJNCP-UHFFFAOYSA-N 1 0 368.865 2.991 20 5 FFBDRO C[C@@]1([NH2+]CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CCO[C@H]1C1CC1 ZINC000839550078 746853144 /nfs/dbraw/zinc/85/31/44/746853144.db2.gz GVVOKNFWJFUIRE-JKSUJKDBSA-N 1 0 353.806 2.734 20 5 FFBDRO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000841010622 747254458 /nfs/dbraw/zinc/25/44/58/747254458.db2.gz HGDDECKJZUBCOV-HIFRSBDPSA-N 1 0 368.821 2.608 20 5 FFBDRO CC1(CNC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000841162311 747285069 /nfs/dbraw/zinc/28/50/69/747285069.db2.gz TWUXVSNFSJNQQI-UHFFFAOYSA-N 1 0 371.235 2.869 20 5 FFBDRO O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000841162360 747285306 /nfs/dbraw/zinc/28/53/06/747285306.db2.gz VLLBOVGHBCFBIR-SKDRFNHKSA-N 1 0 369.219 2.573 20 5 FFBDRO COc1ccc(CC(=O)OC[C@@H]2CCC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000842834083 747702480 /nfs/dbraw/zinc/70/24/80/747702480.db2.gz QZHJSKNCTGEYIO-OAHLLOKOSA-N 1 0 350.415 2.810 20 5 FFBDRO C[C@@H]1[C@H](C(=O)N[C@H](c2cccc([N+](=O)[O-])c2F)C(F)(F)F)CC[N@@H+]1C ZINC000843907414 747925750 /nfs/dbraw/zinc/92/57/50/747925750.db2.gz ZCRZFXSZMLBVDZ-JRKPZEMJSA-N 1 0 363.311 2.794 20 5 FFBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(C)CC[NH+]1CCCCC1 ZINC000844464445 748036221 /nfs/dbraw/zinc/03/62/21/748036221.db2.gz OKCBVBAJWLWTKE-CYBMUJFWSA-N 1 0 368.865 2.993 20 5 FFBDRO C[C@@H]1CCCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])[C@@H]1CC[NH3+] ZINC000846693171 748525510 /nfs/dbraw/zinc/52/55/10/748525510.db2.gz DFDKERUFIIFZJD-QMTHXVAHSA-N 1 0 357.813 2.906 20 5 FFBDRO O=[N+]([O-])c1ccc(Cl)cc1CN1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000848929394 749036899 /nfs/dbraw/zinc/03/68/99/749036899.db2.gz DLEDGIZASKHVEG-INIZCTEOSA-N 1 0 353.850 2.935 20 5 FFBDRO O=[N+]([O-])c1ccc(Cl)c(CN2CCC[C@@H]([NH+]3CCOCC3)CC2)c1 ZINC000848929867 749037733 /nfs/dbraw/zinc/03/77/33/749037733.db2.gz KPZICXJDWCNZAM-OAHLLOKOSA-N 1 0 353.850 2.935 20 5 FFBDRO COC[C@@H]([NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1)C1CCOCC1 ZINC000850350491 749349114 /nfs/dbraw/zinc/34/91/14/749349114.db2.gz CRUMZLPEQCTCNP-CQSZACIVSA-N 1 0 373.247 2.889 20 5 FFBDRO COC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000852041249 749759697 /nfs/dbraw/zinc/75/96/97/749759697.db2.gz NPRZZRLIQXKXNQ-CYBMUJFWSA-N 1 0 350.268 2.661 20 5 FFBDRO C[C@H](CO)[C@H]1CCCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000852424271 749856738 /nfs/dbraw/zinc/85/67/38/749856738.db2.gz ALMMOYBKNPETQS-MLGOLLRUSA-N 1 0 353.394 2.545 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)c1F ZINC000854427603 750306276 /nfs/dbraw/zinc/30/62/76/750306276.db2.gz ROBHRBXRJVFIBA-VXGBXAGGSA-N 1 0 353.369 2.880 20 5 FFBDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000060658907 845428696 /nfs/dbraw/zinc/42/86/96/845428696.db2.gz NUZUGZPOXGKGFW-CQSZACIVSA-N 1 0 350.463 2.901 20 5 FFBDRO C[C@@H]1CN(c2cccc(F)c2)CC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000795186692 1013047610 /nfs/dbraw/zinc/04/76/10/1013047610.db2.gz BLRLFXSKRJDIIL-AUUYWEPGSA-N 1 0 359.401 2.978 20 5 FFBDRO COc1cc(C[N@@H+]2C[C@H]3C[C@@]3(O)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000895645902 970815032 /nfs/dbraw/zinc/81/50/32/970815032.db2.gz FEFZTLCRHXZVGR-OXQOHEQNSA-N 1 0 370.405 2.749 20 5 FFBDRO COc1ccc([C@@H]([NH2+]C(C)C)C(=O)NCc2ccccc2[N+](=O)[O-])cc1 ZINC000895757675 970920768 /nfs/dbraw/zinc/92/07/68/970920768.db2.gz VPQHUYDGUUDBMF-GOSISDBHSA-N 1 0 357.410 2.959 20 5 FFBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)c1ccc(C[NH+]2CCCCC2)o1 ZINC001125876726 970992482 /nfs/dbraw/zinc/99/24/82/970992482.db2.gz SZBMPMAUFNVLFQ-UHFFFAOYSA-N 1 0 373.409 2.983 20 5 FFBDRO O=[N+]([O-])c1ccc2nc(N3C[C@H]4C[NH2+]C[C@@]4(c4ccccc4)C3)cnc2c1 ZINC001167205432 960398721 /nfs/dbraw/zinc/39/87/21/960398721.db2.gz HIEHWLHEDLCPOW-QRWLVFNGSA-N 1 0 361.405 2.515 20 5 FFBDRO CCCC[N@H+](CC)Cc1cccc(CNC(=O)c2c([N+](=O)[O-])cnn2C)c1 ZINC000126182987 963466160 /nfs/dbraw/zinc/46/61/60/963466160.db2.gz KMRNMPXVRSOWLV-UHFFFAOYSA-N 1 0 373.457 2.880 20 5 FFBDRO Cn1ccnc1[C@H](NC[C@@H]1CCC(C)(C)C[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000873234183 1013436262 /nfs/dbraw/zinc/43/62/62/1013436262.db2.gz CMLGZYTZAKOPSZ-DOTOQJQBSA-N 1 0 357.458 2.786 20 5 FFBDRO Cc1c(NC(=O)CC[N@H+]2CCN(C)C[C@@H]2CC(C)C)cccc1[N+](=O)[O-] ZINC000933248914 963750792 /nfs/dbraw/zinc/75/07/92/963750792.db2.gz OHORNNWZQDJNRU-INIZCTEOSA-N 1 0 362.474 2.894 20 5 FFBDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1cc2cnccc2o1 ZINC001175637685 1013519350 /nfs/dbraw/zinc/51/93/50/1013519350.db2.gz AYWXYNIWEMONJA-TZMCWYRMSA-N 1 0 357.366 2.827 20 5 FFBDRO C[C@@H]1C[C@H](c2ccccc2)C(C)(C)[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001175651735 1013522538 /nfs/dbraw/zinc/52/25/38/1013522538.db2.gz OFKFNYPBORHODP-ZTFGCOKTSA-N 1 0 358.442 2.809 20 5 FFBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)NC(C)(C)C(F)F)c2)CC1 ZINC000934041615 965542107 /nfs/dbraw/zinc/54/21/07/965542107.db2.gz JXNNVOOQMVIIKG-UHFFFAOYSA-N 1 0 371.388 2.512 20 5 FFBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)N3CC(CC4CC4)C3)c2)CC1 ZINC000934038066 965547347 /nfs/dbraw/zinc/54/73/47/965547347.db2.gz KCZDIQIXKIOPLN-UHFFFAOYSA-N 1 0 373.457 2.610 20 5 FFBDRO C[NH+](C)[C@H]1C[C@@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1(C)C ZINC001299819598 965852525 /nfs/dbraw/zinc/85/25/25/965852525.db2.gz BEOJPCIEJUEWAO-OLZOCXBDSA-N 1 0 370.247 2.816 20 5 FFBDRO Cc1cccc2c1CCN(CC(=O)N1CCc3ccc([N+](=O)[O-])cc31)C2 ZINC000729479566 966069960 /nfs/dbraw/zinc/06/99/60/966069960.db2.gz LFNLNIOOWIIQPL-UHFFFAOYSA-N 1 0 351.406 2.851 20 5 FFBDRO [NH3+]CC1(CCNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)CC1 ZINC000653221951 966085150 /nfs/dbraw/zinc/08/51/50/966085150.db2.gz LSCCYVHDRKQCDY-UHFFFAOYSA-N 1 0 371.387 2.818 20 5 FFBDRO COC(=O)c1ncc([N+](=O)[O-])c(C)c1N1C(C)(C)CC([NH3+])CC1(C)C ZINC001167625471 967026889 /nfs/dbraw/zinc/02/68/89/967026889.db2.gz YSXXYYKOIOEJAQ-UHFFFAOYSA-N 1 0 350.419 2.570 20 5 FFBDRO O=C(NCC[NH+]1CCCCC1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000044529499 967419857 /nfs/dbraw/zinc/41/98/57/967419857.db2.gz WQVOZBNVKQYVMY-UHFFFAOYSA-N 1 0 360.458 2.801 20 5 FFBDRO CC[C@@]1(C(=O)OC(C)(C)C)CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC001176676131 1013750450 /nfs/dbraw/zinc/75/04/50/1013750450.db2.gz UPUVUHKAKZKTEN-QGZVFWFLSA-N 1 0 352.435 2.625 20 5 FFBDRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000892598100 969555030 /nfs/dbraw/zinc/55/50/30/969555030.db2.gz HRJSLUFQYRMYMH-MUJYYYPQSA-N 1 0 358.442 2.799 20 5 FFBDRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000874846334 1013916626 /nfs/dbraw/zinc/91/66/26/1013916626.db2.gz IRBPBBSGYZUSKX-MSOLQXFVSA-N 1 0 358.442 2.504 20 5 FFBDRO C[C@@]1(NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])C[NH+]2CCC1CC2 ZINC000892769086 970279705 /nfs/dbraw/zinc/27/97/05/970279705.db2.gz NYPJHOLEMQFLSX-HXUWFJFHSA-N 1 0 366.421 2.871 20 5 FFBDRO C[C@H](CNC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000897058669 973203484 /nfs/dbraw/zinc/20/34/84/973203484.db2.gz PYOUZGFCXVWOOU-OAGGEKHMSA-N 1 0 360.458 2.967 20 5 FFBDRO C[C@H](CNC(=O)N1CCC[C@H]([NH+]2CCCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000897071429 973221121 /nfs/dbraw/zinc/22/11/21/973221121.db2.gz FJQAKFAVRIOBCQ-CVEARBPZSA-N 1 0 360.458 2.968 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CC3CCOCC3)CC2)c(OC(F)F)c1 ZINC000760541705 975465226 /nfs/dbraw/zinc/46/52/26/975465226.db2.gz JBVGFVXEYMMYKK-UHFFFAOYSA-N 1 0 371.384 2.745 20 5 FFBDRO Cc1nc(C2CC[NH2+]CC2)sc1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000876613143 1014323552 /nfs/dbraw/zinc/32/35/52/1014323552.db2.gz JLFRNEBOPMSAOP-UHFFFAOYSA-N 1 0 374.466 2.799 20 5 FFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CCC[N@H+](Cc1ccccc1C1CC1)C2 ZINC000981764276 976764600 /nfs/dbraw/zinc/76/46/00/976764600.db2.gz QPLLDAWVYWXPLT-RTBURBONSA-N 1 0 369.465 2.654 20 5 FFBDRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000899808708 977343742 /nfs/dbraw/zinc/34/37/42/977343742.db2.gz ICCWPKNMKIXGBT-CYBMUJFWSA-N 1 0 365.393 2.822 20 5 FFBDRO CCc1ccc(C[N@@H+]2C[C@@]3(C)CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C[C@@]3(C)C2)cc1 ZINC000982278998 977375604 /nfs/dbraw/zinc/37/56/04/977375604.db2.gz WYCLSOIQCFUHMJ-UKAVVXHISA-N 1 0 371.481 2.585 20 5 FFBDRO CC(C)c1ccccc1C[NH2+]CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCC1 ZINC001481897191 977741635 /nfs/dbraw/zinc/74/16/35/977741635.db2.gz RNTWHKOSLRJCLJ-QZTJIDSGSA-N 1 0 359.470 2.994 20 5 FFBDRO C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000876989188 1014441075 /nfs/dbraw/zinc/44/10/75/1014441075.db2.gz RBPSDOSYHQNXIZ-GRTSSRMGSA-N 1 0 358.398 2.834 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CC3Cc4ccccc4C3)CC2)cn1 ZINC000877036425 1014458501 /nfs/dbraw/zinc/45/85/01/1014458501.db2.gz QRONFLRJUSCMGY-UHFFFAOYSA-N 1 0 352.438 2.963 20 5 FFBDRO COc1cc(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)c2ccccc2n1 ZINC000877063056 1014466193 /nfs/dbraw/zinc/46/61/93/1014466193.db2.gz BBOUREMRVAGTFV-UHFFFAOYSA-N 1 0 353.382 2.841 20 5 FFBDRO Cc1c(C)c(C)c(C[NH2+]CCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c(C)c1C ZINC001268792306 978395679 /nfs/dbraw/zinc/39/56/79/978395679.db2.gz WFQJVDACZGPFRB-IEBWSBKVSA-N 1 0 361.486 2.832 20 5 FFBDRO CC(C)[NH+]1CCN(CCCC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000900267425 979126901 /nfs/dbraw/zinc/12/69/01/979126901.db2.gz GDNYBYRLACELNA-INIZCTEOSA-N 1 0 362.474 2.578 20 5 FFBDRO [NH3+]C[C@@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)c2ccccc21 ZINC000877425896 1014580468 /nfs/dbraw/zinc/58/04/68/1014580468.db2.gz HHBYVOOBMUZFJJ-LBPRGKRZSA-N 1 0 359.357 2.592 20 5 FFBDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2c(C)c(C)ccc2[N+](=O)[O-])C1 ZINC001126933381 979659759 /nfs/dbraw/zinc/65/97/59/979659759.db2.gz NRGHDFFOTJGFJI-INIZCTEOSA-N 1 0 363.458 2.785 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H](CCO)Cc3ccccc3)CC2)cn1 ZINC000877498733 1014602421 /nfs/dbraw/zinc/60/24/21/1014602421.db2.gz UTEDLVUSGGFGGO-GOSISDBHSA-N 1 0 370.453 2.542 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3CCc4ccccc4OC3)CC2)cn1 ZINC000877502259 1014601977 /nfs/dbraw/zinc/60/19/77/1014601977.db2.gz DDXPXIKEFOVXDF-KRWDZBQOSA-N 1 0 368.437 2.942 20 5 FFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@@H](CO)c3cccc(C(F)(F)F)c3)C2)c1 ZINC000877664510 1014666237 /nfs/dbraw/zinc/66/62/37/1014666237.db2.gz SKRVASKPHHAMGT-PIMMBPRGSA-N 1 0 370.331 2.837 20 5 FFBDRO Cc1ccc(CN2CC[C@@H]([NH2+]C3CC(n4cc([N+](=O)[O-])cn4)C3)C2)cc1 ZINC000877701885 1014689970 /nfs/dbraw/zinc/68/99/70/1014689970.db2.gz CDJFOCHPQODZDI-WWDZGPRUSA-N 1 0 355.442 2.667 20 5 FFBDRO COC(=O)CCn1nc(C)c(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)c1C ZINC000877729811 1014700292 /nfs/dbraw/zinc/70/02/92/1014700292.db2.gz ARHVRJJFQUJTRK-UHFFFAOYSA-N 1 0 360.414 2.569 20 5 FFBDRO COc1cc(CN2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000877743307 1014703714 /nfs/dbraw/zinc/70/37/14/1014703714.db2.gz JNIOJSKHEXBNCV-DGCLKSJQSA-N 1 0 371.384 2.731 20 5 FFBDRO O=C(OCc1ccccc1)[C@H]1C[C@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000877759824 1014715332 /nfs/dbraw/zinc/71/53/32/1014715332.db2.gz ZDSNGDKUMWUFLR-OJHJNGDYSA-N 1 0 370.409 2.606 20 5 FFBDRO CC[N@@H+]1CCCN(C(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000910289559 981888611 /nfs/dbraw/zinc/88/86/11/981888611.db2.gz TWYFILHYWXZBLS-CQSZACIVSA-N 1 0 371.441 2.552 20 5 FFBDRO CC(C)[NH+]1CCN(CCC(=O)N2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000912653239 984085973 /nfs/dbraw/zinc/08/59/73/984085973.db2.gz QOBNZFCZEBEMBP-UHFFFAOYSA-N 1 0 374.485 2.680 20 5 FFBDRO COc1ccc(C[N@@H+]2CC[C@H](CNC(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000170647424 985104365 /nfs/dbraw/zinc/10/43/65/985104365.db2.gz UEVIDMVBAWUPGA-CQSZACIVSA-N 1 0 365.430 2.950 20 5 FFBDRO Cn1cc(C[NH2+]C[C@@H](O)c2cccc(F)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000171051504 985209566 /nfs/dbraw/zinc/20/95/66/985209566.db2.gz FXSQPNHUQMZBHP-GOSISDBHSA-N 1 0 370.384 2.958 20 5 FFBDRO C[N@@H+]1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@@H]1C(C)(C)C ZINC000878840598 1015246499 /nfs/dbraw/zinc/24/64/99/1015246499.db2.gz ORHPJRSNVOOAHL-MRXNPFEDSA-N 1 0 366.437 2.725 20 5 FFBDRO CCc1ccc(S(=O)(=O)N[C@H](C)C[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC001212497451 987782215 /nfs/dbraw/zinc/78/22/15/987782215.db2.gz NQFDPWLVQNDOML-CQSZACIVSA-N 1 0 369.487 2.556 20 5 FFBDRO C[C@@H]1CCC[C@H]([N@H+](C)CN2C(=O)N[C@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000914784533 987906605 /nfs/dbraw/zinc/90/66/05/987906605.db2.gz DNXIKTDHBWYSJQ-ACWOFJMJSA-N 1 0 374.441 2.830 20 5 FFBDRO Cc1cc(CO)cc(C)c1C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000922562021 988690688 /nfs/dbraw/zinc/69/06/88/988690688.db2.gz VNCVERTVLUQBAQ-UHFFFAOYSA-N 1 0 358.394 2.765 20 5 FFBDRO O=C1CCc2cc([N+](=O)[O-])c(N3CCN(Cc4cccs4)CC3)cc2N1 ZINC000917011834 990092418 /nfs/dbraw/zinc/09/24/18/990092418.db2.gz ZOSXMOMVGPOVNC-UHFFFAOYSA-N 1 0 372.450 2.863 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)CN2CCN(C/C=C\c3ccccc3)CC2)cc1 ZINC000033409505 990283391 /nfs/dbraw/zinc/28/33/91/990283391.db2.gz OPZYKJXPYQSPLO-ANIGNSTFSA-N 1 0 367.449 2.959 20 5 FFBDRO Cn1cc(CN2CCN(C(=O)OC(C)(C)C)CCC2(C)C)c([N+](=O)[O-])n1 ZINC000879505904 1015566883 /nfs/dbraw/zinc/56/68/83/1015566883.db2.gz KUKYDZWTQKWCAI-UHFFFAOYSA-N 1 0 367.450 2.550 20 5 FFBDRO C[C@H]1CCC[N@H+](CCCCNC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000920450977 990851120 /nfs/dbraw/zinc/85/11/20/990851120.db2.gz ICPUKRDUZAAMEI-HNNXBMFYSA-N 1 0 373.457 2.573 20 5 FFBDRO CC(C)[N@H+](C)CC1CCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000920810254 990921737 /nfs/dbraw/zinc/92/17/37/990921737.db2.gz TVIIFSYRIQOFJI-UHFFFAOYSA-N 1 0 373.457 2.523 20 5 FFBDRO C[N@@H+]1CC[C@H]2CN(C(=O)Nc3ccc([N+](=O)[O-])c4ccncc34)CC[C@@H]21 ZINC000880164945 1015770438 /nfs/dbraw/zinc/77/04/38/1015770438.db2.gz HIQPWPPHTVNWFA-LRDDRELGSA-N 1 0 355.398 2.701 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC(C)([NH+]2CCC2)CC1 ZINC000880475150 1015845151 /nfs/dbraw/zinc/84/51/51/1015845151.db2.gz UEQVCSSRCNLQRE-UHFFFAOYSA-N 1 0 360.458 2.792 20 5 FFBDRO CC[NH+](CC)CC(=O)N1CCN(c2ccc(C(F)F)cc2[N+](=O)[O-])CC1 ZINC000809352936 994493317 /nfs/dbraw/zinc/49/33/17/994493317.db2.gz JVBKSOANBGXEFB-UHFFFAOYSA-N 1 0 370.400 2.523 20 5 FFBDRO [NH3+]CCN(Cc1cnn(Cc2ccc(F)cc2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000809734461 994585014 /nfs/dbraw/zinc/58/50/14/994585014.db2.gz FGIWSUIWSZXRGZ-UHFFFAOYSA-N 1 0 369.400 2.944 20 5 FFBDRO [NH3+]CCN(Cc1ccnn1-c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000809735076 994585276 /nfs/dbraw/zinc/58/52/76/994585276.db2.gz RTNPUQUVIVUCGX-UHFFFAOYSA-N 1 0 355.373 2.885 20 5 FFBDRO CCCC[C@@H](C)[N@H+](C)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000810125050 994708085 /nfs/dbraw/zinc/70/80/85/994708085.db2.gz MXSXRUNIDAKLAJ-MRXNPFEDSA-N 1 0 362.474 2.754 20 5 FFBDRO O=C(O[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000810844483 994951190 /nfs/dbraw/zinc/95/11/90/994951190.db2.gz NWXKAYNKIOHPBR-HOTGVXAUSA-N 1 0 356.382 2.564 20 5 FFBDRO COc1cc(COC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)c([N+](=O)[O-])cc1F ZINC000811444995 995148566 /nfs/dbraw/zinc/14/85/66/995148566.db2.gz NRKWSNUQAZRWOT-KRWDZBQOSA-N 1 0 372.368 2.998 20 5 FFBDRO CC[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H](C)[C@H](O)c1ccccc1 ZINC000812849848 995551605 /nfs/dbraw/zinc/55/16/05/995551605.db2.gz KGPVLYBURVXODE-UGSOOPFHSA-N 1 0 357.410 2.638 20 5 FFBDRO CC[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H](C)[C@@H](O)c1ccccc1 ZINC000812849847 995552572 /nfs/dbraw/zinc/55/25/72/995552572.db2.gz KGPVLYBURVXODE-SCLBCKFNSA-N 1 0 357.410 2.638 20 5 FFBDRO [NH3+]CC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)C(F)(F)F ZINC000825200544 997271690 /nfs/dbraw/zinc/27/16/90/997271690.db2.gz DWZFNDKTUKEQHQ-CQSZACIVSA-N 1 0 374.363 2.595 20 5 FFBDRO [NH3+]CC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)C(F)(F)F ZINC000825200540 997272881 /nfs/dbraw/zinc/27/28/81/997272881.db2.gz DWZFNDKTUKEQHQ-AWEZNQCLSA-N 1 0 374.363 2.595 20 5 FFBDRO CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC001137021128 997320853 /nfs/dbraw/zinc/32/08/53/997320853.db2.gz KIUALDWBMJIPFY-MRXNPFEDSA-N 1 0 370.409 2.605 20 5 FFBDRO Cc1c(C(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000730786764 997481748 /nfs/dbraw/zinc/48/17/48/997481748.db2.gz RPXFWZCCAYYMKO-VXGBXAGGSA-N 1 0 364.402 2.804 20 5 FFBDRO O=C1c2cccc([N+](=O)[O-])c2C(=O)N1CN1CCC[C@@]2(CC=CCC2)C1 ZINC000733992241 999168413 /nfs/dbraw/zinc/16/84/13/999168413.db2.gz MTURSQJSNAVQLA-IBGZPJMESA-N 1 0 355.394 2.971 20 5 FFBDRO C[C@H]1CCC[C@H](C)[N@H+](CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000742154155 999762356 /nfs/dbraw/zinc/76/23/56/999762356.db2.gz DPVQCVYVAPIDBY-KBPBESRZSA-N 1 0 360.414 2.831 20 5 FFBDRO O=C(NC[C@H]1C[C@H]([NH2+]Cc2ccc(C3CCC3)cc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001086363162 999870201 /nfs/dbraw/zinc/87/02/01/999870201.db2.gz FKCXPHOYIUDLLU-UTRMSSBJSA-N 1 0 357.454 2.604 20 5 FFBDRO Cc1ncn(-c2ccc3cc(F)cc([N+](=O)[O-])c3n2)c1CSCC[NH3+] ZINC001168787221 999991914 /nfs/dbraw/zinc/99/19/14/999991914.db2.gz CGRWDTVPHQRNKQ-UHFFFAOYSA-N 1 0 361.402 2.968 20 5 FFBDRO [NH3+]CCN(c1cccnc1)c1cnc(Oc2ccc([N+](=O)[O-])cc2)nc1 ZINC001168836359 1000000926 /nfs/dbraw/zinc/00/09/26/1000000926.db2.gz JYHBKFDQJQBIDO-UHFFFAOYSA-N 1 0 352.354 2.669 20 5 FFBDRO CC(C)(C)OC(=O)N1CC[C@]2([NH2+][C@H]3CC[C@H](C[N+](=O)[O-])C3)CCC[C@H]12 ZINC001168956166 1000012635 /nfs/dbraw/zinc/01/26/35/1000012635.db2.gz AEODVQLWLNCBTJ-YRBFXIGRSA-N 1 0 353.463 2.954 20 5 FFBDRO CC(C)(C)OC(=O)N1C[C@H]2[C@H](CC[C@@H]2[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168965089 1000013352 /nfs/dbraw/zinc/01/33/52/1000013352.db2.gz XZFGLOCNLZTEEX-OTJKEOIZSA-N 1 0 353.463 2.667 20 5 FFBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2cccc(I)c2)C1 ZINC001168969333 1000013564 /nfs/dbraw/zinc/01/35/64/1000013564.db2.gz DCRYTNFJFANQAP-AAEUAGOBSA-N 1 0 360.195 2.826 20 5 FFBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+][C@H]2CCCN(c3ncnc4ccccc43)C2)C1 ZINC001168998206 1000014245 /nfs/dbraw/zinc/01/42/45/1000014245.db2.gz JPHCSYXPOKKWMY-XHSDSOJGSA-N 1 0 355.442 2.634 20 5 FFBDRO CC1(COc2ccc(C[NH2+][C@H]3CC[C@H](C[N+](=O)[O-])C3)cc2F)COC1 ZINC001169004028 1000014718 /nfs/dbraw/zinc/01/47/18/1000014718.db2.gz PDJSNLKXDBYQFJ-GJZGRUSLSA-N 1 0 352.406 2.776 20 5 FFBDRO CC(C)[C@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC001169008241 1000015029 /nfs/dbraw/zinc/01/50/29/1000015029.db2.gz SHJREKUSQKJLEE-IMJJTQAJSA-N 1 0 355.479 2.913 20 5 FFBDRO CC(C)(C)OC(=O)N1CCCC2(C[NH+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C2)C1 ZINC001169011056 1000015190 /nfs/dbraw/zinc/01/51/90/1000015190.db2.gz HWCNGWDTIIHHSF-GJZGRUSLSA-N 1 0 353.463 2.765 20 5 FFBDRO CC(C)(C)OC(=O)N1CC[C@]2(CCC[N@@H+]2[C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169011643 1000015726 /nfs/dbraw/zinc/01/57/26/1000015726.db2.gz LWVMMTXMISOGCL-RLFYNMQTSA-N 1 0 353.463 2.907 20 5 FFBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCN(c3ccc(C(F)(F)F)cn3)CC2)C1 ZINC001169027827 1000016193 /nfs/dbraw/zinc/01/61/93/1000016193.db2.gz QXSKPKIKCMHBKF-GXTWGEPZSA-N 1 0 358.364 2.668 20 5 FFBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2ccc3nnc(-c4ccccc4)n3c2)C1 ZINC001168990011 1000016212 /nfs/dbraw/zinc/01/62/12/1000016212.db2.gz ANGZFBBDVHUJEX-WMLDXEAASA-N 1 0 351.410 2.931 20 5 FFBDRO CC(C)(C)OC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169036850 1000016640 /nfs/dbraw/zinc/01/66/40/1000016640.db2.gz QIJDEHQFRWOMBH-DGXTUMSLSA-N 1 0 353.463 2.952 20 5 FFBDRO CN1C(=O)[C@H](c2ccccc2)CC12CC[NH+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169018425 1000017274 /nfs/dbraw/zinc/01/72/74/1000017274.db2.gz BEPXMIHACRKONK-QRQLOZEOSA-N 1 0 371.481 2.912 20 5 FFBDRO Cc1cccc(CN2CC[C@]3(CC[N@@H+]([C@@H]4CC[C@@H](C[N+](=O)[O-])C4)C3)C2=O)c1 ZINC001169020618 1000017413 /nfs/dbraw/zinc/01/74/13/1000017413.db2.gz JOJPMQHSHLIOGU-SFHLNBCPSA-N 1 0 371.481 2.865 20 5 FFBDRO O=C1N(CC2CC2)c2ccccc2[C@]12CC[N@@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169026749 1000018182 /nfs/dbraw/zinc/01/81/82/1000018182.db2.gz NTDYIXVYNAKWSE-LLGFUMIMSA-N 1 0 369.465 2.832 20 5 FFBDRO O=[N+]([O-])C[C@H]1CC[C@@H](n2nc(-c3ccc(F)cc3)c3c2CC[NH2+]CC3)C1 ZINC001169025188 1000018296 /nfs/dbraw/zinc/01/82/96/1000018296.db2.gz SOMNPXCFQBLONR-XJKSGUPXSA-N 1 0 358.417 2.995 20 5 FFBDRO [NH3+]Cc1cnnn1-c1ncc(C(F)(F)F)cc1-c1cccc([N+](=O)[O-])c1 ZINC001169311436 1000040071 /nfs/dbraw/zinc/04/00/71/1000040071.db2.gz VUUKBWMHOVOSHD-UHFFFAOYSA-N 1 0 364.287 2.715 20 5 FFBDRO CCOC(=O)c1ccc(N2CCCc3ccc(C[NH3+])nc32)c([N+](=O)[O-])c1 ZINC001169590603 1000060289 /nfs/dbraw/zinc/06/02/89/1000060289.db2.gz KTDRUEAEXJGDPK-UHFFFAOYSA-N 1 0 356.382 2.710 20 5 FFBDRO CC(C)(C)[N@@H+]1CCCN(Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)CC1 ZINC000742148562 1000141202 /nfs/dbraw/zinc/14/12/02/1000141202.db2.gz VHLZQAVAARHESY-UHFFFAOYSA-N 1 0 358.446 2.617 20 5 FFBDRO CC(C)[N@H+](C[C@@H](O)COc1ccccc1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000770038687 1000661363 /nfs/dbraw/zinc/66/13/63/1000661363.db2.gz DHTXGNQTYIEXOM-UYAOXDASSA-N 1 0 374.437 2.779 20 5 FFBDRO C[C@@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(N2CCNC2=O)cc1 ZINC000786832425 1001629019 /nfs/dbraw/zinc/62/90/19/1001629019.db2.gz PFVMLKNLJNLIEC-FZKQIMNGSA-N 1 0 370.409 2.509 20 5 FFBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000787335731 1001683226 /nfs/dbraw/zinc/68/32/26/1001683226.db2.gz NUDJBLJEEXLYJG-UHFFFAOYSA-N 1 0 370.453 2.695 20 5 FFBDRO C[C@](O)(C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)c1ccc(F)cc1 ZINC000788435239 1001799869 /nfs/dbraw/zinc/79/98/69/1001799869.db2.gz GSDIZKHOLIDYRX-JZXOWHBKSA-N 1 0 362.405 2.911 20 5 FFBDRO C[C@@H]([NH2+]Cc1ccccc1N1CCOCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788570160 1001825463 /nfs/dbraw/zinc/82/54/63/1001825463.db2.gz IAWJSDMDQFNAKZ-CQSZACIVSA-N 1 0 356.426 2.864 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@]2(O)CCc3ccccc32)n1 ZINC000774268662 1001827849 /nfs/dbraw/zinc/82/78/49/1001827849.db2.gz FKLPQRHHQRKVCP-ZHALLVOQSA-N 1 0 356.426 2.699 20 5 FFBDRO C[NH+](C)[C@H]1CCOc2c(NC(=O)c3ccc(N)c([N+](=O)[O-])c3)cccc21 ZINC000790239146 1002311108 /nfs/dbraw/zinc/31/11/08/1002311108.db2.gz DZCHXGHZTKDUAH-HNNXBMFYSA-N 1 0 356.382 2.815 20 5 FFBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000791217975 1002609798 /nfs/dbraw/zinc/60/97/98/1002609798.db2.gz HATCDIYBYXBQSM-ZDUSSCGKSA-N 1 0 366.437 2.794 20 5 FFBDRO O=C(COC(=O)c1ccc2c[nH+]cn2c1)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000792552489 1003032006 /nfs/dbraw/zinc/03/20/06/1003032006.db2.gz KRWNNRFAOYDWME-UHFFFAOYSA-N 1 0 374.740 2.691 20 5 FFBDRO COc1ccc(C[C@@H](C)[NH2+]CCC(=O)NC2CCCCC2)c([N+](=O)[O-])c1 ZINC001170304911 1003093421 /nfs/dbraw/zinc/09/34/21/1003093421.db2.gz HUJJJSURWTXRDM-CQSZACIVSA-N 1 0 363.458 2.963 20 5 FFBDRO CCOC(=O)c1cccc(C[NH2+][C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])n1 ZINC001170305602 1003094534 /nfs/dbraw/zinc/09/45/34/1003094534.db2.gz NRYHOLGYQYWPFG-ZDUSSCGKSA-N 1 0 373.409 2.896 20 5 FFBDRO COC(=O)C[C@H]([NH2+][C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])c1ccccn1 ZINC001170319672 1003108889 /nfs/dbraw/zinc/10/88/89/1003108889.db2.gz YLTCGFBFMABKBA-GUYCJALGSA-N 1 0 373.409 2.823 20 5 FFBDRO COc1ccc(C[C@@H](C)N2CCC([NH3+])(c3cccnc3)CC2)c([N+](=O)[O-])c1 ZINC001170325935 1003113664 /nfs/dbraw/zinc/11/36/64/1003113664.db2.gz YNZNFSSSJYPEMK-OAHLLOKOSA-N 1 0 370.453 2.879 20 5 FFBDRO COC(=O)c1ccnc(C[NH2+][C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])c1 ZINC001170308646 1003119629 /nfs/dbraw/zinc/11/96/29/1003119629.db2.gz NKKFWLGPEWOIOY-LBPRGKRZSA-N 1 0 359.382 2.506 20 5 FFBDRO COc1ccc(C[C@@H](C)N2CC3(C2)CC[N@H+](CC2CC2)C3)c([N+](=O)[O-])c1 ZINC001170339803 1003128549 /nfs/dbraw/zinc/12/85/49/1003128549.db2.gz JOMYZBLQGYCANG-OAHLLOKOSA-N 1 0 359.470 2.952 20 5 FFBDRO COC[C@@H]1C[N@@H+]([C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])Cc2cn(C)nc21 ZINC001170341344 1003130244 /nfs/dbraw/zinc/13/02/44/1003130244.db2.gz PIXPYBFEHIAACG-BBRMVZONSA-N 1 0 374.441 2.514 20 5 FFBDRO COC(=O)[C@@H]1CCC[N@H+]([C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])[C@H]1C ZINC001170345205 1003131869 /nfs/dbraw/zinc/13/18/69/1003131869.db2.gz HYRTVJQDWWWGBM-DVOMOZLQSA-N 1 0 350.415 2.808 20 5 FFBDRO COc1ccc(C[C@H](C)[NH+]2CCC(C(C)(C)C(N)=O)CC2)c([N+](=O)[O-])c1 ZINC001170345808 1003131954 /nfs/dbraw/zinc/13/19/54/1003131954.db2.gz MBDPTGPUOIDKDD-ZDUSSCGKSA-N 1 0 363.458 2.758 20 5 FFBDRO Cc1cc(C)c(C[NH+]2CCC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c(C)c1 ZINC001001395455 1016778781 /nfs/dbraw/zinc/77/87/81/1016778781.db2.gz MTSSDRHWNWQXEM-IEBWSBKVSA-N 1 0 359.470 2.605 20 5 FFBDRO C[C@](CO)([NH2+]CCC(=O)OCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC001196908674 1004010452 /nfs/dbraw/zinc/01/04/52/1004010452.db2.gz TXZKOMWTZOQOTO-LJQANCHMSA-N 1 0 358.394 2.525 20 5 FFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H](Cn2ccnc2)c2ccccc2)c1 ZINC001197265471 1004147694 /nfs/dbraw/zinc/14/76/94/1004147694.db2.gz SJEKDHVXCOSTDL-MOPGFXCFSA-N 1 0 352.394 2.856 20 5 FFBDRO C[NH+](C)CCOc1cc(NCc2nccc(Cl)n2)ccc1[N+](=O)[O-] ZINC001170546804 1004782196 /nfs/dbraw/zinc/78/21/96/1004782196.db2.gz NUYFNLIXIMPQRM-UHFFFAOYSA-N 1 0 351.794 2.591 20 5 FFBDRO Cc1cc(C(=O)NC[C@@H](c2ccco2)N2CCCC2)c(N)c([N+](=O)[O-])c1 ZINC000104821981 1004815970 /nfs/dbraw/zinc/81/59/70/1004815970.db2.gz RRGMWIMJHXHMPA-HNNXBMFYSA-N 1 0 358.398 2.645 20 5 FFBDRO Cc1cc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c(N)c([N+](=O)[O-])c1 ZINC000104826311 1004817873 /nfs/dbraw/zinc/81/78/73/1004817873.db2.gz GTAPCXMLGABIAT-UHFFFAOYSA-N 1 0 368.437 2.880 20 5 FFBDRO C[NH+](C)CCOc1ccc(/C=C/C(=O)NCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000776429831 1005670442 /nfs/dbraw/zinc/67/04/42/1005670442.db2.gz HUMAYQASJMSCFZ-KPKJPENVSA-N 1 0 369.421 2.865 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@H+](Cc2ccccc2)[C@H](CO)C2CC2)cc1 ZINC000776594144 1006009442 /nfs/dbraw/zinc/00/94/42/1006009442.db2.gz XADAPRKJODGROZ-WOJBJXKFSA-N 1 0 356.422 2.901 20 5 FFBDRO C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC001133955050 1006059018 /nfs/dbraw/zinc/05/90/18/1006059018.db2.gz NNNQUMOUWANQRK-AWEZNQCLSA-N 1 0 372.450 2.819 20 5 FFBDRO Cc1c(CC(=O)N2CCN(c3cc[nH+]cc3)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000881632788 1006164164 /nfs/dbraw/zinc/16/41/64/1006164164.db2.gz BOKJPDAVUHTHEC-CQSZACIVSA-N 1 0 354.410 2.578 20 5 FFBDRO COCC[N@H+]1[C@H](C)CN(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000129579085 1006349051 /nfs/dbraw/zinc/34/90/51/1006349051.db2.gz RSNRPDYSPNXGAG-OKILXGFUSA-N 1 0 364.446 2.785 20 5 FFBDRO CC1([NH+]2CCC2)CCN(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000882509029 1006418339 /nfs/dbraw/zinc/41/83/39/1006418339.db2.gz YDDMLVYVUSDIDY-UHFFFAOYSA-N 1 0 359.426 2.645 20 5 FFBDRO CN(CCCC[NH+]1CCCCC1)C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000882623803 1006457975 /nfs/dbraw/zinc/45/79/75/1006457975.db2.gz BLQIJQSQOPXZCJ-UHFFFAOYSA-N 1 0 373.457 2.669 20 5 FFBDRO CC(C)NC(=O)[C@H]1CCC[N@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000853601206 1006470119 /nfs/dbraw/zinc/47/01/19/1006470119.db2.gz FZSPOMJZDVRPRJ-INIZCTEOSA-N 1 0 371.441 2.652 20 5 FFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@]2(CCN(c3ccc([N+](=O)[O-])cn3)C2)O1 ZINC000882979989 1006586178 /nfs/dbraw/zinc/58/61/78/1006586178.db2.gz VIHLOYJCFHAXDG-OXQOHEQNSA-N 1 0 368.437 2.860 20 5 FFBDRO Cc1cccc(C)c1OC[C@@H](O)C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815565625 1006686394 /nfs/dbraw/zinc/68/63/94/1006686394.db2.gz VIVFPYIFZJFEDW-HOCLYGCPSA-N 1 0 359.426 2.884 20 5 FFBDRO C[C@H]([NH2+]CCCNC(=O)c1ccc(F)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815592598 1006702375 /nfs/dbraw/zinc/70/23/75/1006702375.db2.gz MQZAGRKOEPLBFZ-LBPRGKRZSA-N 1 0 360.389 2.787 20 5 FFBDRO C/C(=C\C(=O)N1CCC([N@H+]2CCOC[C@@H]2C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000854571023 1006894223 /nfs/dbraw/zinc/89/42/23/1006894223.db2.gz SYAKQUHEVBLLGH-MDJJKAFGSA-N 1 0 373.453 2.710 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000855165250 1007148993 /nfs/dbraw/zinc/14/89/93/1007148993.db2.gz SLRGBDJENJIFSB-LLVKDONJSA-N 1 0 357.813 2.919 20 5 FFBDRO NC(=O)C[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 ZINC000816653355 1007151742 /nfs/dbraw/zinc/15/17/42/1007151742.db2.gz OXKRDZCHSDUQHC-IBGZPJMESA-N 1 0 368.437 2.770 20 5 FFBDRO O=[N+]([O-])c1cnc(N2CCC([N@@H+]3CCCOCC3)CC2)c2ccccc21 ZINC000884529608 1007471305 /nfs/dbraw/zinc/47/13/05/1007471305.db2.gz RTDKGWOEAGELGZ-UHFFFAOYSA-N 1 0 356.426 2.834 20 5 FFBDRO CC(C)C(C[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC001206328688 1032232921 /nfs/dbraw/zinc/23/29/21/1032232921.db2.gz MSOKFRTUIITGEU-UHFFFAOYSA-N 1 0 371.503 2.733 20 5 FFBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000856413383 1007813969 /nfs/dbraw/zinc/81/39/69/1007813969.db2.gz DWJFFFPJHOHZJS-UHFFFAOYSA-N 1 0 360.458 2.513 20 5 FFBDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)C1 ZINC000818565003 1007944287 /nfs/dbraw/zinc/94/42/87/1007944287.db2.gz KPQCRDKJEUSWHS-GJZGRUSLSA-N 1 0 360.458 2.640 20 5 FFBDRO Cc1nc2ccccc2n1CCC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818956951 1007994533 /nfs/dbraw/zinc/99/45/33/1007994533.db2.gz CQPGNUMSNBZYTN-IBGZPJMESA-N 1 0 354.410 2.966 20 5 FFBDRO CC(C)(C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 ZINC000818984871 1008000347 /nfs/dbraw/zinc/00/03/47/1008000347.db2.gz IOVIKUXCTSFJSU-QGZVFWFLSA-N 1 0 372.421 2.967 20 5 FFBDRO COc1ccc2[nH]cc(CC[NH2+]C[C@H](O)c3cccc([N+](=O)[O-])c3)c2c1 ZINC000819061969 1008021901 /nfs/dbraw/zinc/02/19/01/1008021901.db2.gz YRWYREUHPFWXRN-IBGZPJMESA-N 1 0 355.394 2.950 20 5 FFBDRO COC(=O)Nc1ccc(CC[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000819086098 1008030742 /nfs/dbraw/zinc/03/07/42/1008030742.db2.gz KRBFKULDJAMKFK-KRWDZBQOSA-N 1 0 359.382 2.639 20 5 FFBDRO COc1cc2c(cc1C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)O[C@@H](C)C2 ZINC000819183422 1008060208 /nfs/dbraw/zinc/06/02/08/1008060208.db2.gz WPIKAUPHZHLRAE-YVEFUNNKSA-N 1 0 358.394 2.750 20 5 FFBDRO C[C@@H]1C[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC[C@H]1C(=O)OC(C)(C)C ZINC000859613055 1008588977 /nfs/dbraw/zinc/58/89/77/1008588977.db2.gz VZKZAGFPRUOJHC-XYPHTWIQSA-N 1 0 364.442 2.928 20 5 FFBDRO O=[N+]([O-])c1ncccc1C[NH2+][C@@H](c1ccccc1)C1(CO)CCOCC1 ZINC000886247245 1008610435 /nfs/dbraw/zinc/61/04/35/1008610435.db2.gz LFGJPTWNFNRBKQ-KRWDZBQOSA-N 1 0 357.410 2.610 20 5 FFBDRO O=C(NC1CC[NH+](Cc2ccccn2)CC1)c1cc([N+](=O)[O-])ccc1F ZINC000822493437 1008623107 /nfs/dbraw/zinc/62/31/07/1008623107.db2.gz VOVMLVVLAJCSRD-UHFFFAOYSA-N 1 0 358.373 2.523 20 5 FFBDRO C[C@@H]1CN(C(=O)CCOc2ccccc2[N+](=O)[O-])CC[N@@H+]1C1CCCC1 ZINC001177708400 1008723156 /nfs/dbraw/zinc/72/31/56/1008723156.db2.gz PAZLSWXBKVZDHT-OAHLLOKOSA-N 1 0 361.442 2.839 20 5 FFBDRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000860253686 1008917622 /nfs/dbraw/zinc/91/76/22/1008917622.db2.gz GBKZZCWYTDYJLM-INIZCTEOSA-N 1 0 371.437 2.715 20 5 FFBDRO COc1ccc(NC(=O)C[NH2+][C@@H]2CCc3c2cccc3F)c([N+](=O)[O-])c1 ZINC000886926307 1008940805 /nfs/dbraw/zinc/94/08/05/1008940805.db2.gz ITSMWPBOXJBUGR-OAHLLOKOSA-N 1 0 359.357 2.958 20 5 FFBDRO CC(C)(CCC(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1)[N+](=O)[O-] ZINC000823253726 1008976801 /nfs/dbraw/zinc/97/68/01/1008976801.db2.gz WSIKLISAVGAECC-UHFFFAOYSA-N 1 0 363.458 2.613 20 5 FFBDRO O=C(NCCCCCC[NH2+]Cc1c(F)cccc1Cl)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001178458755 1008995522 /nfs/dbraw/zinc/99/55/22/1008995522.db2.gz WTCHHTOWSWBOLI-MLGOLLRUSA-N 1 0 371.840 2.911 20 5 FFBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C[C@](C)(O)c1ccccc1 ZINC000823597838 1009134639 /nfs/dbraw/zinc/13/46/39/1009134639.db2.gz CHQCAGZYBANELQ-IBGZPJMESA-N 1 0 357.410 2.763 20 5 FFBDRO C[C@H](CNC(=O)Nc1ccc(N)c([N+](=O)[O-])c1)[N@@H+]1CCc2ccccc2C1 ZINC000824003107 1009290131 /nfs/dbraw/zinc/29/01/31/1009290131.db2.gz PHLBJWZOMHAOIY-CYBMUJFWSA-N 1 0 369.425 2.745 20 5 FFBDRO O=C1[C@H]([NH2+][C@@H]2CCc3ccccc3OC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000509514131 1009528525 /nfs/dbraw/zinc/52/85/25/1009528525.db2.gz CETRXJABDHUPMA-CRAIPNDOSA-N 1 0 367.405 2.684 20 5 FFBDRO CCN(C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)C1CC[NH+](C)CC1 ZINC000861891311 1009607737 /nfs/dbraw/zinc/60/77/37/1009607737.db2.gz WZVUAKXDDSLQTC-UHFFFAOYSA-N 1 0 357.414 2.541 20 5 FFBDRO C[C@@H]1[C@@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCN1C(=O)OC(C)(C)C ZINC000863586182 1010264228 /nfs/dbraw/zinc/26/42/28/1010264228.db2.gz BYEJZAACLSZQJD-UHOFOFEASA-N 1 0 365.430 2.616 20 5 FFBDRO C[NH+](C)CCCC1CCN(Cn2c(=O)oc3cccc([N+](=O)[O-])c32)CC1 ZINC000794638740 1010437429 /nfs/dbraw/zinc/43/74/29/1010437429.db2.gz GKUSAEAUIRSQNF-UHFFFAOYSA-N 1 0 362.430 2.514 20 5 FFBDRO CC(C)(C)OC(=O)NCCC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000774169200 1010499137 /nfs/dbraw/zinc/49/91/37/1010499137.db2.gz LFVDHPIQZKZHPI-UONOGXRCSA-N 1 0 367.450 2.779 20 5 FFBDRO NC(=O)[C@@H]1C[C@H]1C(=O)Nc1cc2oc3cc(=[NH2+])ccc-3nc2c2ccccc12 ZINC001182379710 1010542219 /nfs/dbraw/zinc/54/22/19/1010542219.db2.gz HNLSIYJDYWMKNS-ZIAGYGMSSA-N 1 0 372.384 2.625 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]Cc2cn(-c3ccccc3)nn2)n1 ZINC000774259290 1010542285 /nfs/dbraw/zinc/54/22/85/1010542285.db2.gz HUTKKRMRADJXJS-DLBZAZTESA-N 1 0 367.413 2.646 20 5 FFBDRO Cn1cc(C[NH2+][C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000865694165 1010843342 /nfs/dbraw/zinc/84/33/42/1010843342.db2.gz SULBQTCKACVCDP-LMCVGUAFSA-N 1 0 354.410 2.508 20 5 FFBDRO Cc1cc(N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000866204232 1010950873 /nfs/dbraw/zinc/95/08/73/1010950873.db2.gz BGBWGBYTMIMUDX-RDJZCZTQSA-N 1 0 353.426 2.891 20 5 FFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C(c1ccnn1C)c1ccnn1C ZINC000866398599 1010987237 /nfs/dbraw/zinc/98/72/37/1010987237.db2.gz OZIQKAQIWLCKMG-GFCCVEGCSA-N 1 0 372.404 2.511 20 5 FFBDRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000646474301 1011969009 /nfs/dbraw/zinc/96/90/09/1011969009.db2.gz YCKIENPYJSZBRC-MAUKXSAKSA-N 1 0 363.461 2.706 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1C[C@H](CO)[C@@H](C(F)(F)F)C1)CC2 ZINC001172905633 1012077977 /nfs/dbraw/zinc/07/79/77/1012077977.db2.gz UBCIZLZZUGQZLQ-YCPHGPKFSA-N 1 0 358.360 2.945 20 5 FFBDRO COC(=O)c1ccc(C[NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)cn1 ZINC001172909543 1012123831 /nfs/dbraw/zinc/12/38/31/1012123831.db2.gz SJUWYOLNDPOVGZ-MRXNPFEDSA-N 1 0 355.394 2.814 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1CC[C@@H](Oc3ncc(F)cn3)C1)CC2 ZINC001172913082 1012124823 /nfs/dbraw/zinc/12/48/23/1012124823.db2.gz OTLFKBLWCWFPRJ-FUHWJXTLSA-N 1 0 372.400 2.925 20 5 FFBDRO C[C@@]1(CO)CC[N@@H+](C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)C1 ZINC001173010567 1012179876 /nfs/dbraw/zinc/17/98/76/1012179876.db2.gz VAPHEEQIPSDTAD-QGZVFWFLSA-N 1 0 355.385 2.546 20 5 FFBDRO Cc1ncn(C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)c1CC[NH3+] ZINC001173011365 1012181676 /nfs/dbraw/zinc/18/16/76/1012181676.db2.gz BWOOVKNASTUYNR-UHFFFAOYSA-N 1 0 365.384 2.721 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(N2CCC([N@@H+]3CCCC[C@@H](O)C3)CC2)c(F)c1 ZINC001173010778 1012182487 /nfs/dbraw/zinc/18/24/87/1012182487.db2.gz YTCXSAVODSUPIW-CQSZACIVSA-N 1 0 355.385 2.689 20 5 FFBDRO CN1CCCC[C@H]1C[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173012364 1012184798 /nfs/dbraw/zinc/18/47/98/1012184798.db2.gz RIIUMLMQCONNGR-AWEZNQCLSA-N 1 0 368.428 2.916 20 5 FFBDRO Cn1c(C(=O)N2Cc3ccccc3C3(CC[NH+](C)CC3)C2)ccc1[N+](=O)[O-] ZINC000870180631 1012239326 /nfs/dbraw/zinc/23/93/26/1012239326.db2.gz BSQMUNCSVRUTCK-UHFFFAOYSA-N 1 0 368.437 2.553 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@H]2CC[C@H](NC(C)=O)CC2)c1F ZINC001173177328 1012319569 /nfs/dbraw/zinc/31/95/69/1012319569.db2.gz ATBHDTOVHVJYMP-MRVWCRGKSA-N 1 0 367.421 2.710 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]Cc2ccn(CCF)n2)c1F ZINC001173179517 1012321119 /nfs/dbraw/zinc/32/11/19/1012321119.db2.gz MQYKLHUVYRRHHR-NSHDSACASA-N 1 0 354.357 2.629 20 5 FFBDRO COc1cncc(CC[NH2+][C@@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])c1 ZINC001173187681 1012328276 /nfs/dbraw/zinc/32/82/76/1012328276.db2.gz FHMWDESWWUNEDK-LBPRGKRZSA-N 1 0 363.389 2.909 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CC[N@@H+]3CCCC[C@@H]3C2)c1F ZINC001173189896 1012331539 /nfs/dbraw/zinc/33/15/39/1012331539.db2.gz OIEMHPVDASRDTC-ZIAGYGMSSA-N 1 0 351.422 2.844 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CCC[C@@H](n3ccnn3)C2)c1F ZINC001173191183 1012331626 /nfs/dbraw/zinc/33/16/26/1012331626.db2.gz AVCYMOQDUJCPSB-QWHCGFSZSA-N 1 0 363.393 2.602 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)n2nnc3ccc(C[NH3+])cc32)c1F ZINC001173191576 1012332570 /nfs/dbraw/zinc/33/25/70/1012332570.db2.gz MUNADUPWQGIORL-SNVBAGLBSA-N 1 0 359.361 2.750 20 5 FFBDRO CCC[N@H+]1C[C@H]2CN([C@H](C)Cc3c(F)c(OC)ccc3[N+](=O)[O-])C[C@H]2C1 ZINC001173191319 1012333069 /nfs/dbraw/zinc/33/30/69/1012333069.db2.gz BXZMNNKEJKGIPV-KFWWJZLASA-N 1 0 365.449 2.947 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CCc3c(=O)[nH]ccc3C2)c1F ZINC001173192181 1012335369 /nfs/dbraw/zinc/33/53/69/1012335369.db2.gz JIVUQNGTQPARCC-NSHDSACASA-N 1 0 361.373 2.832 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]Cc2cncc(Cl)n2)c1F ZINC001173191944 1012335687 /nfs/dbraw/zinc/33/56/87/1012335687.db2.gz NXABOWBMRAAVLR-SECBINFHSA-N 1 0 354.769 2.907 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CC([NH+]3CCC(F)CC3)C2)c1F ZINC001173198441 1012341518 /nfs/dbraw/zinc/34/15/18/1012341518.db2.gz ZOPRAQUJJBYBAD-GFCCVEGCSA-N 1 0 369.412 2.792 20 5 FFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cn(Cc2ccncc2)cn1 ZINC001173220632 1012351724 /nfs/dbraw/zinc/35/17/24/1012351724.db2.gz DMMYNOPNGVALDT-OAHLLOKOSA-N 1 0 351.410 2.955 20 5 FFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1CCN(C(=O)c2ccncc2)CC1 ZINC001173219610 1012351846 /nfs/dbraw/zinc/35/18/46/1012351846.db2.gz DVGBNBMJQOLLOA-HNNXBMFYSA-N 1 0 368.437 2.815 20 5 FFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H]2C[C@H](C(=O)NC3CC3)C[C@@H]2C1 ZINC001173223176 1012353564 /nfs/dbraw/zinc/35/35/64/1012353564.db2.gz AGDCNOFDHZXTPT-QSPRXWTASA-N 1 0 357.454 2.762 20 5 FFBDRO COc1cc(N2CC[NH+]([C@@H](C)Cc3ccc([N+](=O)[O-])cc3)CC2)ccn1 ZINC001173232428 1012364330 /nfs/dbraw/zinc/36/43/30/1012364330.db2.gz BIIXUDSZQIEIHI-HNNXBMFYSA-N 1 0 356.426 2.752 20 5 FFBDRO COc1cc(C)nc(O[C@H]2CC[N@@H+]([C@@H](C)Cc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC001173237131 1012382167 /nfs/dbraw/zinc/38/21/67/1012382167.db2.gz IAZCJIVNXHLWAZ-YOEHRIQHSA-N 1 0 372.425 2.786 20 5 FFBDRO COC(=O)c1cnc2c(c1)C[N@H+]([C@@H](C)Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC001173237135 1012382749 /nfs/dbraw/zinc/38/27/49/1012382749.db2.gz ICCPSVOEJUJFQH-ZDUSSCGKSA-N 1 0 355.394 2.766 20 5 FFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[NH+](Cc2cccc(N)c2)CC1 ZINC001173237742 1012386486 /nfs/dbraw/zinc/38/64/86/1012386486.db2.gz LTGILNZIDUHLGS-INIZCTEOSA-N 1 0 354.454 2.926 20 5 FFBDRO O=C(NCc1cccc2c1CC[N@H+](CC1=CCCCC1)C2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001051290991 1017272109 /nfs/dbraw/zinc/27/21/09/1017272109.db2.gz HQDPQUDFFDACDF-WOJBJXKFSA-N 1 0 369.465 2.827 20 5 FFBDRO CC(C)C[C@@H]1CCC[N@@H+]1CN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000748791885 1017653891 /nfs/dbraw/zinc/65/38/91/1017653891.db2.gz JNHUEIIWJJQIRR-LPHOPBHVSA-N 1 0 374.441 2.830 20 5 FFBDRO CC(C)(C)OC(=O)N1CCC([NH2+]CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000749132520 1018341311 /nfs/dbraw/zinc/34/13/11/1018341311.db2.gz QTFKBUULVFDZDV-UHFFFAOYSA-N 1 0 365.430 2.963 20 5 FFBDRO CC(C)[NH+]1CCN(CCCC(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000928245275 1018906679 /nfs/dbraw/zinc/90/66/79/1018906679.db2.gz MDXGQIYLLBOJJB-MRXNPFEDSA-N 1 0 362.474 2.578 20 5 FFBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000801981620 1019575051 /nfs/dbraw/zinc/57/50/51/1019575051.db2.gz RGSUJVVXHYIUBQ-ZDUSSCGKSA-N 1 0 364.421 2.843 20 5 FFBDRO O=[N+]([O-])c1ncccc1CNc1ccccc1C[NH+]1CCC(CO)CC1 ZINC000901980442 1019678629 /nfs/dbraw/zinc/67/86/29/1019678629.db2.gz UUPIQNBFCGRNMD-UHFFFAOYSA-N 1 0 356.426 2.806 20 5 FFBDRO COc1ccc(-c2nnc(C[C@H]([NH3+])Cc3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC001217716166 1032847845 /nfs/dbraw/zinc/84/78/45/1032847845.db2.gz DFEWZAUPFVAZSA-CQSZACIVSA-N 1 0 354.366 2.766 20 5 FFBDRO [NH3+][C@@H](Cc1nnc(Cc2ccc(F)cc2)o1)Cc1ccc([N+](=O)[O-])cc1 ZINC001217716989 1032848093 /nfs/dbraw/zinc/84/80/93/1032848093.db2.gz ROCJTDUBEQSJRF-OAHLLOKOSA-N 1 0 356.357 2.820 20 5 FFBDRO Cc1ccc([C@H](CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)[NH+]2CCCC2)o1 ZINC000725744048 1020251611 /nfs/dbraw/zinc/25/16/11/1020251611.db2.gz HLHNAULIWOUITC-INIZCTEOSA-N 1 0 358.398 2.645 20 5 FFBDRO CN(C)c1cc[nH+]c(CN[C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000903198675 1020733927 /nfs/dbraw/zinc/73/39/27/1020733927.db2.gz OPRBPGALKOFUNP-SFHVURJKSA-N 1 0 366.425 2.669 20 5 FFBDRO O=[N+]([O-])c1cc(Br)cc(F)c1O[C@H]1C[NH2+]CCC[C@H]1F ZINC001217980388 1032931917 /nfs/dbraw/zinc/93/19/17/1032931917.db2.gz KXULVCGDQSJZFX-KCJUWKMLSA-N 1 0 351.147 2.965 20 5 FFBDRO CCN(CC)C(=O)c1ccc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000749670832 1021018492 /nfs/dbraw/zinc/01/84/92/1021018492.db2.gz LTWHXZIERYGULT-IBGZPJMESA-N 1 0 371.437 2.900 20 5 FFBDRO CCN(CC)C(=O)c1ccc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000749670834 1021018555 /nfs/dbraw/zinc/01/85/55/1021018555.db2.gz LTWHXZIERYGULT-LJQANCHMSA-N 1 0 371.437 2.900 20 5 FFBDRO C[NH+](C)CCN(Cc1ccco1)C(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000934490977 1021258752 /nfs/dbraw/zinc/25/87/52/1021258752.db2.gz BZBYNJCDAGWOJW-ROUUACIJSA-N 1 0 357.410 2.882 20 5 FFBDRO COC(=O)c1cc(Br)cc([N+](=O)[O-])c1O[C@@H]1C[NH2+]CC[C@H]1C ZINC001218044337 1032969040 /nfs/dbraw/zinc/96/90/40/1032969040.db2.gz UILOYYHGUAAMKA-PRHODGIISA-N 1 0 373.203 2.521 20 5 FFBDRO C[C@@H]1C[C@H](Oc2ccc([N+](=O)[O-])cc2I)CC[NH2+]1 ZINC001218051350 1032970683 /nfs/dbraw/zinc/97/06/83/1032970683.db2.gz YHDYJUQDAPQISU-PSASIEDQSA-N 1 0 362.167 2.719 20 5 FFBDRO Cc1cccc(C2=CC[N@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)c1C ZINC000934845916 1021427979 /nfs/dbraw/zinc/42/79/79/1021427979.db2.gz ZQXLTXCXLZVMPM-GOSISDBHSA-N 1 0 356.426 2.558 20 5 FFBDRO C[NH+]1CCC(n2ccc(NC(=O)N3Cc4ccc([N+](=O)[O-])cc4C3)n2)CC1 ZINC001116838310 1021446418 /nfs/dbraw/zinc/44/64/18/1021446418.db2.gz DDILMFFEPAHLMF-UHFFFAOYSA-N 1 0 370.413 2.606 20 5 FFBDRO O=[N+]([O-])c1ccc(I)cc1O[C@@H]1CC[C@@]12CC[NH2+]C2 ZINC001218120724 1033007380 /nfs/dbraw/zinc/00/73/80/1033007380.db2.gz WNKOGKZETAKTBM-OLZOCXBDSA-N 1 0 374.178 2.720 20 5 FFBDRO CC[NH+]1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])cnc3C)cc2)CC1 ZINC000750647002 1022286678 /nfs/dbraw/zinc/28/66/78/1022286678.db2.gz NFMKMXKNQSPFRK-UHFFFAOYSA-N 1 0 369.425 2.692 20 5 FFBDRO C[NH+](C)[C@@H]1Cc2ccccc2N(Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000158560769 1022536885 /nfs/dbraw/zinc/53/68/85/1022536885.db2.gz BPCIXEBMJKUKMV-QGZVFWFLSA-N 1 0 351.410 2.895 20 5 FFBDRO Cc1csc(CCC[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)n1 ZINC001119297134 1022661807 /nfs/dbraw/zinc/66/18/07/1022661807.db2.gz FVVVJVZKCAAOFJ-UHFFFAOYSA-N 1 0 361.471 2.946 20 5 FFBDRO COc1ccc([C@@H]2C[NH2+]CCN2C(=O)c2cccc([N+](=O)[O-])c2C)cc1 ZINC001119308434 1022668661 /nfs/dbraw/zinc/66/86/61/1022668661.db2.gz MHRUPASNFQLYFO-SFHVURJKSA-N 1 0 355.394 2.699 20 5 FFBDRO CCN(C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CCC[NH2+]C1 ZINC001122524385 1023318428 /nfs/dbraw/zinc/31/84/28/1023318428.db2.gz YXHCHWXVDRMCAZ-CQSZACIVSA-N 1 0 360.439 2.932 20 5 FFBDRO C[C@H]1[NH2+]C[C@H]1Oc1nc2ccc(NC(=O)CN(C)C)cc2c2ccccc21 ZINC001218385184 1033130899 /nfs/dbraw/zinc/13/08/99/1033130899.db2.gz GTLZUGAQKBXSDC-BFUOFWGJSA-N 1 0 364.449 2.627 20 5 FFBDRO C[C@H]([NH2+]CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CCCCC1 ZINC000754122142 1023428655 /nfs/dbraw/zinc/42/86/55/1023428655.db2.gz DRPCZRDVVWOYSC-INIZCTEOSA-N 1 0 374.485 2.802 20 5 FFBDRO CC(C)(C)OC(=O)NC[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000754409157 1023466314 /nfs/dbraw/zinc/46/63/14/1023466314.db2.gz QUYKLORHVPRKSN-JKSUJKDBSA-N 1 0 365.430 2.521 20 5 FFBDRO C[C@@H]1CC[C@@H](Oc2ccc(I)c([N+](=O)[O-])c2)C[NH2+]1 ZINC001218397590 1033138284 /nfs/dbraw/zinc/13/82/84/1033138284.db2.gz FDCYHSBAEZUBIQ-PSASIEDQSA-N 1 0 362.167 2.719 20 5 FFBDRO C[C@H](Nc1ccc([N+](=O)[O-])c(OC(C)(C)C)c1)[C@H]1C[N@H+](C)CCN1C ZINC001120959333 1023544364 /nfs/dbraw/zinc/54/43/64/1023544364.db2.gz IHHWXLLDRPUTAB-XJKSGUPXSA-N 1 0 350.463 2.818 20 5 FFBDRO C[C@@H](Nc1ccc([N+](=O)[O-])c(OC(C)(C)C)c1)[C@@H]1C[N@H+](C)CCN1C ZINC001120959331 1023544409 /nfs/dbraw/zinc/54/44/09/1023544409.db2.gz IHHWXLLDRPUTAB-CJNGLKHVSA-N 1 0 350.463 2.818 20 5 FFBDRO C[C@@H]1C[NH2+]CC[C@@H]1Oc1cccc(I)c1[N+](=O)[O-] ZINC001218417804 1033146051 /nfs/dbraw/zinc/14/60/51/1033146051.db2.gz XPNODLJNUXWBDE-SCZZXKLOSA-N 1 0 362.167 2.576 20 5 FFBDRO CCOc1cc(C[NH2+][C@@H](C)[C@H]2CCCN(C(=O)OC)C2)ccc1[N+](=O)[O-] ZINC000755054980 1023559636 /nfs/dbraw/zinc/55/96/36/1023559636.db2.gz IKVNWOWQYQFSNG-ZFWWWQNUSA-N 1 0 365.430 2.950 20 5 FFBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000755192811 1023576849 /nfs/dbraw/zinc/57/68/49/1023576849.db2.gz PLYFOINKFGGMNP-JRJUITNWSA-N 1 0 373.453 2.711 20 5 FFBDRO O=c1ccc2ncc(O[C@H]3C[NH2+]CCC3(F)F)c3c4ccccc4n1c32 ZINC001218453147 1033163148 /nfs/dbraw/zinc/16/31/48/1033163148.db2.gz SECTWEVMVBBJRT-HNNXBMFYSA-N 1 0 355.344 2.815 20 5 FFBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000758333642 1024049459 /nfs/dbraw/zinc/04/94/59/1024049459.db2.gz IBKWGNVHDYLNJH-KBXCAEBGSA-N 1 0 372.469 2.798 20 5 FFBDRO O=C(CC[N@@H+]1CC[C@H](c2cccnc2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000829522711 1033198386 /nfs/dbraw/zinc/19/83/86/1033198386.db2.gz OEBAMYPAXGOTQU-AWEZNQCLSA-N 1 0 358.373 2.947 20 5 FFBDRO [NH3+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC[C@@H]1C(F)(F)F ZINC001122089445 1024332560 /nfs/dbraw/zinc/33/25/60/1024332560.db2.gz VRFUODSDYCRMPJ-BEAPCOKYSA-N 1 0 371.359 2.684 20 5 FFBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N(CCC[NH3+])CC(F)(F)F ZINC001122124410 1024360677 /nfs/dbraw/zinc/36/06/77/1024360677.db2.gz LKPXKFCPXBKQBC-UHFFFAOYSA-N 1 0 351.350 2.670 20 5 FFBDRO O=C(CCc1cc(F)ccc1[N+](=O)[O-])N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC001122136815 1024372911 /nfs/dbraw/zinc/37/29/11/1024372911.db2.gz QXANHWNOQGZNCD-INIZCTEOSA-N 1 0 363.433 2.905 20 5 FFBDRO Cc1c(C(=O)NCCC[NH+]2CCCCC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000195436921 1025011611 /nfs/dbraw/zinc/01/16/11/1025011611.db2.gz GYNDIPVAKSKWJT-UHFFFAOYSA-N 1 0 364.402 2.726 20 5 FFBDRO CC(C)[N@@H+]1CCCC[C@H]1COC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000837514898 1025865501 /nfs/dbraw/zinc/86/55/01/1025865501.db2.gz NONSHXQWRDYNFG-HNNXBMFYSA-N 1 0 364.398 2.592 20 5 FFBDRO C[N@@H+]1CCCC[C@@H]1CCOC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000838101766 1026208871 /nfs/dbraw/zinc/20/88/71/1026208871.db2.gz LPAVEIJJGHNDBM-OAHLLOKOSA-N 1 0 358.398 2.812 20 5 FFBDRO Cc1cc(NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)ccc1OCC[NH+](C)C ZINC000838175096 1026241585 /nfs/dbraw/zinc/24/15/85/1026241585.db2.gz LOFUIHHNLQKWLQ-GOSISDBHSA-N 1 0 373.409 2.516 20 5 FFBDRO C[C@H]1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000839646237 1026772803 /nfs/dbraw/zinc/77/28/03/1026772803.db2.gz KTFRQWYFISFAJL-JXFKEZNVSA-N 1 0 355.438 2.835 20 5 FFBDRO C[C@H]1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000839646238 1026773924 /nfs/dbraw/zinc/77/39/24/1026773924.db2.gz KTFRQWYFISFAJL-OXJNMPFZSA-N 1 0 355.438 2.835 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2ncn(C[N@H+]3CCCC[C@@H]3[C@@H]3CCC[C@@H]3O)n2)c1 ZINC000840114434 1026962254 /nfs/dbraw/zinc/96/22/54/1026962254.db2.gz IDYXXGVHKPOWCI-KSZLIROESA-N 1 0 371.441 2.826 20 5 FFBDRO Cc1nn(C[N@@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)c2ncc([N+](=O)[O-])cc12 ZINC000840130997 1026972743 /nfs/dbraw/zinc/97/27/43/1026972743.db2.gz XLTXFWDLJOMYRK-SJORKVTESA-N 1 0 371.441 2.887 20 5 FFBDRO CC[N@H+](CN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O)C1CC(C)(C)C1 ZINC000840183706 1027001830 /nfs/dbraw/zinc/00/18/30/1027001830.db2.gz IHUSYDRHOYRZLC-IBGZPJMESA-N 1 0 374.441 2.830 20 5 FFBDRO COC(=O)c1nn(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])c2ccccc12 ZINC000795645233 1027383046 /nfs/dbraw/zinc/38/30/46/1027383046.db2.gz RSSBBLHBXTWVGR-UHFFFAOYSA-N 1 0 368.393 2.863 20 5 FFBDRO CCc1cccc(C[N@H+]2CC=C(CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 ZINC001160097827 1027589906 /nfs/dbraw/zinc/58/99/06/1027589906.db2.gz KJUWJKQAPIVYSF-RTBURBONSA-N 1 0 357.454 2.553 20 5 FFBDRO O=[N+]([O-])c1c(Cl)nc(Cl)nc1N[C@@H]1CC[NH2+]C[C@@H]1C(F)(F)F ZINC001160736774 1027844945 /nfs/dbraw/zinc/84/49/45/1027844945.db2.gz NBLGZAIRZKXCPG-CRCLSJGQSA-N 1 0 360.123 2.644 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)ncnc2NCC1CC[NH+](C2CCOCC2)CC1 ZINC001161236233 1028086858 /nfs/dbraw/zinc/08/68/58/1028086858.db2.gz GRFZHAQLYIKAQT-UHFFFAOYSA-N 1 0 371.441 2.841 20 5 FFBDRO [NH3+][C@H]1CC[C@H](N(c2ccncn2)c2cnc3ccc([N+](=O)[O-])cc3n2)CC1 ZINC001161364557 1028146976 /nfs/dbraw/zinc/14/69/76/1028146976.db2.gz QZNSSRTWLZHPOZ-JOCQHMNTSA-N 1 0 365.397 2.736 20 5 FFBDRO O=[N+]([O-])c1cnc(NCC2(Cc3ccc(F)cc3)CC2)nc1C1C[NH2+]C1 ZINC001161623309 1028254375 /nfs/dbraw/zinc/25/43/75/1028254375.db2.gz XODPEXKLQHVKHQ-UHFFFAOYSA-N 1 0 357.389 2.646 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC001161886231 1028350402 /nfs/dbraw/zinc/35/04/02/1028350402.db2.gz ZHPDULQCVZDLAF-AWEZNQCLSA-N 1 0 362.817 2.958 20 5 FFBDRO Cc1c(Cl)nc(-c2ccc([N+](=O)[O-])cc2)nc1NC[C@H]1C[NH2+][C@H](C)C1 ZINC001162558183 1028579843 /nfs/dbraw/zinc/57/98/43/1028579843.db2.gz TUJOURIXCNVKNO-ZYHUDNBSSA-N 1 0 361.833 2.845 20 5 FFBDRO CCOC1(OCC)CC[NH2+]C[C@H]1Nc1nccc2c1cccc2[N+](=O)[O-] ZINC001162726258 1028633969 /nfs/dbraw/zinc/63/39/69/1028633969.db2.gz QHKYHZXOYZGKKJ-MRXNPFEDSA-N 1 0 360.414 2.686 20 5 FFBDRO CCOC1(OCC)CC[NH2+]C[C@H]1Nc1ccc2ncccc2c1[N+](=O)[O-] ZINC001162732082 1028636991 /nfs/dbraw/zinc/63/69/91/1028636991.db2.gz CNVIDZDHIFPTHS-MRXNPFEDSA-N 1 0 360.414 2.686 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])c(-n2c3ccccc3nc2[C@H](C)[NH3+])cc1OC ZINC001162777829 1028653898 /nfs/dbraw/zinc/65/38/98/1028653898.db2.gz VXJSEQOOGSVEMK-JTQLQIEISA-N 1 0 370.365 2.749 20 5 FFBDRO Cc1cc(Cl)nc(NC[C@@H]2CCC3(CC[NH2+]CC3)CO2)c1[N+](=O)[O-] ZINC001155385182 1028713628 /nfs/dbraw/zinc/71/36/28/1028713628.db2.gz XCXBDUHMXIVPFO-LBPRGKRZSA-N 1 0 354.838 2.912 20 5 FFBDRO O=[N+]([O-])c1ccc(NCC[C@@H]2CCOC23C[NH2+]C3)nc1-c1ccc(F)cc1 ZINC001155480371 1028756064 /nfs/dbraw/zinc/75/60/64/1028756064.db2.gz XEJLSVAVJXRCOS-CQSZACIVSA-N 1 0 372.400 2.976 20 5 FFBDRO O=[N+]([O-])c1ccc2nc(Cl)cc(NC[C@@H]3OC[C@H]4C[NH2+]CC[C@H]43)c2c1 ZINC001155525621 1028777675 /nfs/dbraw/zinc/77/76/75/1028777675.db2.gz NQYNDTUMJCFYPP-SIVJFFJCSA-N 1 0 362.817 2.833 20 5 FFBDRO O=[N+]([O-])c1cccc2cnc(NCC[C@@H]3C[NH2+]Cc4cccn4C3)nc21 ZINC001163058315 1028780461 /nfs/dbraw/zinc/78/04/61/1028780461.db2.gz XYYPSHDJCCCSSZ-CYBMUJFWSA-N 1 0 352.398 2.561 20 5 FFBDRO COc1nc(SC)nc(N[C@@H]2CC[NH2+][C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC001163209736 1028840640 /nfs/dbraw/zinc/84/06/40/1028840640.db2.gz WAYVSSYGSUWVKB-NEPJUHHUSA-N 1 0 361.427 2.630 20 5 FFBDRO O=C1C[C@@H]2[NH2+]CC[C@]2(Nc2cnc3c4ccccc4c4ccccc4c3n2)N1 ZINC001163235919 1028851213 /nfs/dbraw/zinc/85/12/13/1028851213.db2.gz GXMCPXGWMBSSQU-JTSKRJEESA-N 1 0 369.428 2.926 20 5 FFBDRO CO[C@@H](C[NH+]1CCN(c2ncc([N+](=O)[O-])cc2C)CC1)c1ccccc1 ZINC001155705484 1028860316 /nfs/dbraw/zinc/86/03/16/1028860316.db2.gz HKGLNFWGWAZPSK-SFHVURJKSA-N 1 0 356.426 2.808 20 5 FFBDRO N=c1nc([C@@H]2CCC[NH2+]2)ccn1C(=O)c1ccnc2c1ccc1cccnc12 ZINC001155809250 1028923136 /nfs/dbraw/zinc/92/31/36/1028923136.db2.gz BFMQGBKOCIEPCH-INIZCTEOSA-N 1 0 370.416 2.572 20 5 FFBDRO [NH3+]CCCC[C@H](Nc1nccc2ccc([N+](=O)[O-])cc21)C(=O)N1CCCC1 ZINC001163457708 1028933529 /nfs/dbraw/zinc/93/35/29/1028933529.db2.gz YJGSQWKTXBDCBS-KRWDZBQOSA-N 1 0 371.441 2.675 20 5 FFBDRO CC(C)C[C@H](Nc1ccc(F)cc1[N+](=O)[O-])C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC001163604297 1028985562 /nfs/dbraw/zinc/98/55/62/1028985562.db2.gz ACGVYWHVKJHEBK-ZBFHGGJFSA-N 1 0 366.437 2.723 20 5 FFBDRO COC(=O)c1ccnc(-n2c(C[NH3+])cc3cc(Cl)ccc32)c1[N+](=O)[O-] ZINC001155993221 1029004524 /nfs/dbraw/zinc/00/45/24/1029004524.db2.gz ATFSEPZWKUIFMJ-UHFFFAOYSA-N 1 0 360.757 2.832 20 5 FFBDRO C[NH2+]CCN(C)C(F)(F)c1cc(-c2ccccc2[N+](=O)[O-])nnc1Cl ZINC001163723948 1029040502 /nfs/dbraw/zinc/04/05/02/1029040502.db2.gz HVFONVVJNCTGTE-UHFFFAOYSA-N 1 0 371.775 2.906 20 5 FFBDRO CC(=O)Nc1cc(N[C@@H](C)C[NH+](C)C)c([N+](=O)[O-])cc1Br ZINC001163785103 1029061024 /nfs/dbraw/zinc/06/10/24/1029061024.db2.gz CPCLPJHXZUEBRA-QMMMGPOBSA-N 1 0 359.224 2.678 20 5 FFBDRO [NH3+]Cc1cnc2c(ccn2-c2ccc(-c3ccc(F)c([N+](=O)[O-])c3)nn2)c1 ZINC001156600714 1029265879 /nfs/dbraw/zinc/26/58/79/1029265879.db2.gz SCQKLNWXYVDDDI-UHFFFAOYSA-N 1 0 364.340 2.989 20 5 FFBDRO CC(C)C[C@H](CNC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[NH+](C)C ZINC000781595696 1029294883 /nfs/dbraw/zinc/29/48/83/1029294883.db2.gz WTLOJRXVRZTUCU-OAHLLOKOSA-N 1 0 366.418 2.528 20 5 FFBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC001165151656 1029423579 /nfs/dbraw/zinc/42/35/79/1029423579.db2.gz XVGPWZCIUKJBQA-UHFFFAOYSA-N 1 0 368.437 2.564 20 5 FFBDRO CC(C)(C)OC(=O)[C@H](CCCC[NH3+])Nc1ncc([N+](=O)[O-])cc1Cl ZINC001157164979 1029487853 /nfs/dbraw/zinc/48/78/53/1029487853.db2.gz JGNNXHJIQRILJQ-LBPRGKRZSA-N 1 0 358.826 2.894 20 5 FFBDRO C[N@@H+]1CCC[C@@H]2CN(c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)nn3)C[C@H]21 ZINC001157282989 1029536012 /nfs/dbraw/zinc/53/60/12/1029536012.db2.gz SCKLPJXAZVFGPE-CXAGYDPISA-N 1 0 357.389 2.721 20 5 FFBDRO O=[N+]([O-])c1cnc(N(c2ncnc3ccccc32)C2CC[NH2+]CC2)c(F)c1 ZINC001157319985 1029552457 /nfs/dbraw/zinc/55/24/57/1029552457.db2.gz LXYATIHGAUFATE-UHFFFAOYSA-N 1 0 368.372 2.962 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N(Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC001157425603 1029582855 /nfs/dbraw/zinc/58/28/55/1029582855.db2.gz BGFSYGHBTXRJNF-HNNXBMFYSA-N 1 0 370.409 2.535 20 5 FFBDRO CCOC(=O)CN(CCC[NH3+])c1cc2ccc(Cl)nc2cc1[N+](=O)[O-] ZINC001157551481 1029615282 /nfs/dbraw/zinc/61/52/82/1029615282.db2.gz GPIPFPUFEYGTML-UHFFFAOYSA-N 1 0 366.805 2.515 20 5 FFBDRO C[C@@H]1C[N@H+](CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)[C@H]2CCCC[C@H]12 ZINC000782277750 1029637876 /nfs/dbraw/zinc/63/78/76/1029637876.db2.gz RUVBNDZSKGNWKI-XYPHTWIQSA-N 1 0 372.425 2.831 20 5 FFBDRO CCC[NH+]1C[C@H]2CN(c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)nn3)C[C@@H]2C1 ZINC001157698039 1029647730 /nfs/dbraw/zinc/64/77/30/1029647730.db2.gz AUYBKOAPYQXDJR-GJZGRUSLSA-N 1 0 371.416 2.969 20 5 FFBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NC[C@H]1C[NH+]2CCC1CC2 ZINC001158269108 1029781725 /nfs/dbraw/zinc/78/17/25/1029781725.db2.gz OCUUSVGYASYEQU-LBPRGKRZSA-N 1 0 369.874 2.798 20 5 FFBDRO Cc1cc(N(c2cc(Cl)ncc2[N+](=O)[O-])C2CC[NH2+]CC2)nc(C)n1 ZINC001158387981 1029816903 /nfs/dbraw/zinc/81/69/03/1029816903.db2.gz KLXJSUGRCIXMMU-UHFFFAOYSA-N 1 0 362.821 2.940 20 5 FFBDRO C[NH+]1CCC(N(c2c(Cl)[n+]([O-])ccc2[N+](=O)[O-])C2CCCC2)CC1 ZINC001158488385 1029839902 /nfs/dbraw/zinc/83/99/02/1029839902.db2.gz WMNVZSPCAFAHOE-UHFFFAOYSA-N 1 0 354.838 2.725 20 5 FFBDRO COc1nc(N2CCC3(CC[NH2+]CC3)[C@H]2C(F)(F)F)ccc1[N+](=O)[O-] ZINC001165264542 1029920415 /nfs/dbraw/zinc/92/04/15/1029920415.db2.gz GBTNRXZBMWLYJV-ZDUSSCGKSA-N 1 0 360.336 2.509 20 5 FFBDRO COc1cc(C)nc(N2CCC3(CC[NH2+]CC3)[C@H]2C(F)(F)F)c1[N+](=O)[O-] ZINC001165266684 1029921662 /nfs/dbraw/zinc/92/16/62/1029921662.db2.gz SGIWZUGYIIITHF-AWEZNQCLSA-N 1 0 374.363 2.818 20 5 FFBDRO Cc1cc(N2C[C@H](CF)[C@H](C3([NH3+])CC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001165437146 1029984087 /nfs/dbraw/zinc/98/40/87/1029984087.db2.gz VMCBQIBZKTWRST-GOEBONIOSA-N 1 0 371.416 2.873 20 5 FFBDRO CC(C)(C)OC(=O)NC1(C[NH2+]Cc2csc([N+](=O)[O-])c2)CCOCC1 ZINC000697015954 1030184185 /nfs/dbraw/zinc/18/41/85/1030184185.db2.gz VYLIWWNRUCWNLG-UHFFFAOYSA-N 1 0 371.459 2.820 20 5 FFBDRO COc1ccc(C[N@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1F ZINC000783910625 1030334464 /nfs/dbraw/zinc/33/44/64/1030334464.db2.gz IKPJYKMKZMMLLC-CQSZACIVSA-N 1 0 364.373 2.614 20 5 FFBDRO CC(C)(C)[C@@H]1CC[N@H+](CN2C(=O)N[C@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000784031116 1030430302 /nfs/dbraw/zinc/43/03/02/1030430302.db2.gz JWIXJHQIAGMSJX-AUUYWEPGSA-N 1 0 374.441 2.687 20 5 FFBDRO C/C(=C\C(=O)Nc1ccnc(OCC[NH+](C)C)c1)c1ccc([N+](=O)[O-])cc1 ZINC000784096280 1030465696 /nfs/dbraw/zinc/46/56/96/1030465696.db2.gz XSMRQDHRYSUVHY-WYMLVPIESA-N 1 0 370.409 2.972 20 5 FFBDRO N=c1nc([C@@H]2CCC[NH2+]2)ccn1-c1nc2ccccc2c(Cl)c1[N+](=O)[O-] ZINC001166701150 1030486919 /nfs/dbraw/zinc/48/69/19/1030486919.db2.gz OLQMMJQQMHEMIF-LBPRGKRZSA-N 1 0 370.800 2.886 20 5 FFBDRO Cc1cc(-n2ccc([C@@H]3CCC[NH2+]3)nc2=N)nc2ccc([N+](=O)[O-])cc12 ZINC001166701244 1030486925 /nfs/dbraw/zinc/48/69/25/1030486925.db2.gz RYQVWIBCZOJUNX-HNNXBMFYSA-N 1 0 350.382 2.541 20 5 FFBDRO O=[N+]([O-])c1cnc(-n2cc3c(cccc3N3CC[NH2+]CC3)n2)c2ccccc21 ZINC001166992101 1030602367 /nfs/dbraw/zinc/60/23/67/1030602367.db2.gz WZRHMRNYFRSZPM-UHFFFAOYSA-N 1 0 374.404 2.892 20 5 FFBDRO O=[N+]([O-])c1ccc2ccnc(-n3ncc4cc(N5CC[NH2+]CC5)ccc43)c2c1 ZINC001167021459 1030616054 /nfs/dbraw/zinc/61/60/54/1030616054.db2.gz PGCZGPBQXNKREM-UHFFFAOYSA-N 1 0 374.404 2.892 20 5 FFBDRO C[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H](O)c1cccc(F)c1 ZINC000843101032 1031182857 /nfs/dbraw/zinc/18/28/57/1031182857.db2.gz FRLVRABLPHPSQY-XIKOKIGWSA-N 1 0 361.373 2.774 20 5 FFBDRO COc1cc(Cc2noc([C@H]3C[NH2+]Cc4ccccc43)n2)ccc1[N+](=O)[O-] ZINC000843192706 1031235298 /nfs/dbraw/zinc/23/52/98/1031235298.db2.gz XQDFVXMJDHUXIE-HNNXBMFYSA-N 1 0 366.377 2.812 20 5 FFBDRO C[C@@H]1CO[C@@H](C)C[N@@H+]1CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001204428995 1031283774 /nfs/dbraw/zinc/28/37/74/1031283774.db2.gz ACHVDOPFYSLIFO-SJORKVTESA-N 1 0 361.486 2.959 20 5 FFBDRO O=C(NCC12CCC[NH+]1CCC2)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000798252002 1031345007 /nfs/dbraw/zinc/34/50/07/1031345007.db2.gz JQIPVEIIIVSDFY-UHFFFAOYSA-N 1 0 372.469 2.943 20 5 FFBDRO COc1cc(C[N@H+](C)C[C@]2(O)CCc3ccccc32)c([N+](=O)[O-])cc1OC ZINC000843422466 1031396124 /nfs/dbraw/zinc/39/61/24/1031396124.db2.gz VPYKKIIYCDUVQD-HXUWFJFHSA-N 1 0 372.421 2.878 20 5 FFBDRO CO[C@@H](Cc1ccccc1)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001205115615 1031532521 /nfs/dbraw/zinc/53/25/21/1031532521.db2.gz OKYQUONWOAMJQW-FQEVSTJZSA-N 1 0 355.438 2.975 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CC[N@H+](Cc2cccc(C)c2)C1 ZINC001149847442 1031606137 /nfs/dbraw/zinc/60/61/37/1031606137.db2.gz MWWMELFBXQFTPY-INIZCTEOSA-N 1 0 369.421 2.916 20 5 FFBDRO COc1ccc(C[C@@H](CO)C[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1O ZINC001205693466 1031940798 /nfs/dbraw/zinc/94/07/98/1031940798.db2.gz WJCCATAUJGRDFT-OAHLLOKOSA-N 1 0 360.410 2.558 20 5 FFBDRO O=C(Nc1cccc(C[NH+]2CCC(O)CC2)c1)c1cc([N+](=O)[O-])ccc1F ZINC000829710829 1033297113 /nfs/dbraw/zinc/29/71/13/1033297113.db2.gz ITHXTZAEBJQSPL-UHFFFAOYSA-N 1 0 373.384 2.943 20 5 FFBDRO CCOc1ccc2c(c1)c(=N)c1ccc(N)cc1n2C(=O)[C@@H]([NH3+])CC(F)F ZINC001219005309 1033456188 /nfs/dbraw/zinc/45/61/88/1033456188.db2.gz KDEPSTITJKBNDI-AWEZNQCLSA-N 1 0 374.391 2.878 20 5 FFBDRO O=C(CC[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O)Nc1cc([N+](=O)[O-])ccc1F ZINC000831164319 1033975176 /nfs/dbraw/zinc/97/51/76/1033975176.db2.gz BTQJKKYMSBJTQX-IAOVAPTHSA-N 1 0 365.405 2.688 20 5 FFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 ZINC000831563141 1034125113 /nfs/dbraw/zinc/12/51/13/1034125113.db2.gz KTBWLYMTUQILBV-BNOWGMLFSA-N 1 0 371.359 2.998 20 5 FFBDRO C[C@H](C[N+](C)(C)C)Oc1n[nH]c2c1CCCN(C(=O)OC(C)(C)C)C2 ZINC001225553590 1034302775 /nfs/dbraw/zinc/30/27/75/1034302775.db2.gz KYEXHIQAXYCRSU-CYBMUJFWSA-N 1 0 353.487 2.567 20 5 FFBDRO O=C1C[C@H]2C[C@H](Oc3ncccc3[N+](=O)[O-])[C@@H](C1)N2Cc1ccccc1 ZINC001225598710 1034328123 /nfs/dbraw/zinc/32/81/23/1034328123.db2.gz YJCKPKDFDNJDJF-QGTPRVQTSA-N 1 0 353.378 2.743 20 5 FFBDRO Cc1cc(OC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)ncc1[N+](=O)[O-] ZINC001225660075 1034355971 /nfs/dbraw/zinc/35/59/71/1034355971.db2.gz BKGZSCPKZFGTGC-KRWDZBQOSA-N 1 0 357.410 2.968 20 5 FFBDRO O=c1cc[nH]c(O[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1[N+](=O)[O-] ZINC001225664528 1034358323 /nfs/dbraw/zinc/35/83/23/1034358323.db2.gz QCENFWHHGIUHTC-ZMSDIMECSA-N 1 0 355.394 2.985 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@@H]3CC4(CC[C@@H]32)OCCO4)c1 ZINC000832054883 1034523377 /nfs/dbraw/zinc/52/33/77/1034523377.db2.gz XBYXUTSNGXKQLK-BPQIPLTHSA-N 1 0 362.426 2.636 20 5 FFBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Oc1ccc([N+](=O)[O-])cc1C(N)=O ZINC001226167333 1034555414 /nfs/dbraw/zinc/55/54/14/1034555414.db2.gz HWGLDVXIGMUPIB-KSSFIOAISA-N 1 0 369.421 2.983 20 5 FFBDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2Oc1ncc([N+](=O)[O-])cc1Br ZINC001226344565 1034640002 /nfs/dbraw/zinc/64/00/02/1034640002.db2.gz QOAXPUOHHUSXFQ-IWIIMEHWSA-N 1 0 356.220 2.861 20 5 FFBDRO O=c1cc(O[C@H]2CC[C@H]([NH+]3CCOCC3)CC2)c2cc([N+](=O)[O-])ccc2[nH]1 ZINC001227221210 1034973811 /nfs/dbraw/zinc/97/38/11/1034973811.db2.gz PUKWHHIQQMZADX-CTYIDZIISA-N 1 0 373.409 2.871 20 5 FFBDRO C[C@H](C[N+](C)(C)C)Oc1ccccc1C(=O)Nc1ncc([N+](=O)[O-])s1 ZINC001227519587 1035594833 /nfs/dbraw/zinc/59/48/33/1035594833.db2.gz ZJKMWEPUARADIY-LLVKDONJSA-O 1 0 365.435 2.777 20 5 FFBDRO O=c1[nH]nc(OC2CCN(c3cc[nH+]cc3)CC2)c2cc([N+](=O)[O-])ccc12 ZINC001229364328 1036632608 /nfs/dbraw/zinc/63/26/08/1036632608.db2.gz JDNLAHAEYHBEQW-UHFFFAOYSA-N 1 0 367.365 2.686 20 5 FFBDRO O=[N+]([O-])c1ccc(O[C@H]2CC[C@@H]([NH+]3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC001233708177 1036724913 /nfs/dbraw/zinc/72/49/13/1036724913.db2.gz PMYNSIDBEIZENQ-BETUJISGSA-N 1 0 351.359 2.525 20 5 FFBDRO COCCC[NH+]1CCC(Oc2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC001233750104 1036744282 /nfs/dbraw/zinc/74/42/82/1036744282.db2.gz INYSLRAFSLNCJJ-UHFFFAOYSA-N 1 0 363.336 2.888 20 5 FFBDRO COC(=O)c1ccc(O[C@@H]2CC[N@@H+]([C@H](C)c3ccccn3)C2)cc1[N+](=O)[O-] ZINC001234056070 1036897614 /nfs/dbraw/zinc/89/76/14/1036897614.db2.gz CCMJTSUZQNKPCC-UKRRQHHQSA-N 1 0 371.393 2.991 20 5 FFBDRO C[NH+]1CCC(Oc2c(I)cccc2[N+](=O)[O-])CC1 ZINC001229881045 1036957722 /nfs/dbraw/zinc/95/77/22/1036957722.db2.gz XVPGLMKPTNIGGR-UHFFFAOYSA-N 1 0 362.167 2.672 20 5 FFBDRO Cc1c(O)cc(CCc2ccccc2)cc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001234329581 1036990133 /nfs/dbraw/zinc/99/01/33/1036990133.db2.gz ZGKMDKYSAZNZQB-LJQANCHMSA-O 1 0 372.485 2.848 20 5 FFBDRO CC(=O)Nc1ccc(C(C)=O)c(OC2CC[NH+](C3CC3)CC2)c1[N+](=O)[O-] ZINC001234680045 1037139069 /nfs/dbraw/zinc/13/90/69/1037139069.db2.gz ACDFZXIVBGQPMB-UHFFFAOYSA-N 1 0 361.398 2.761 20 5 FFBDRO C[C@@H](C[N+](C)(C)C)Oc1ncccc1C(=O)Nc1ccc(N(C)C)cc1 ZINC001231373138 1037551670 /nfs/dbraw/zinc/55/16/70/1037551670.db2.gz OVXZKEINIIXVJT-HNNXBMFYSA-O 1 0 357.478 2.873 20 5 FFBDRO CN(C)c1cc[nH+]c(CNC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)c1 ZINC001207784544 1037722962 /nfs/dbraw/zinc/72/29/62/1037722962.db2.gz FKLOFIJCMRMLHX-UHFFFAOYSA-N 1 0 366.381 2.926 20 5 FFBDRO CCN(CC)CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC001256081720 1038366669 /nfs/dbraw/zinc/36/66/69/1038366669.db2.gz CYNIBPOJHKJGMI-UHFFFAOYSA-N 1 0 350.463 2.504 20 5 FFBDRO COc1cc(N2CCC([NH2+]Cc3cc(F)ccn3)CC2)ccc1[N+](=O)[O-] ZINC001256090825 1038374564 /nfs/dbraw/zinc/37/45/64/1038374564.db2.gz ZYTLPJUDVKEVBU-UHFFFAOYSA-N 1 0 360.389 2.896 20 5 FFBDRO COc1cc(N2CCC([N@@H+]3CC[C@@](C)(O)[C@H](C)C3)CC2)ccc1[N+](=O)[O-] ZINC001256093507 1038379143 /nfs/dbraw/zinc/37/91/43/1038379143.db2.gz MWWYEWBFBSKCOM-AUUYWEPGSA-N 1 0 363.458 2.665 20 5 FFBDRO COc1cc(N2CCC([N@@H+]3CCC[C@@H](C)[C@@H]3CO)CC2)ccc1[N+](=O)[O-] ZINC001256092953 1038380414 /nfs/dbraw/zinc/38/04/14/1038380414.db2.gz CFALUFULMPRPMP-KDOFPFPSSA-N 1 0 363.458 2.665 20 5 FFBDRO COc1cc(N2CCC([N@H+](C)Cc3cnc(C)nc3)CC2)ccc1[N+](=O)[O-] ZINC001256101168 1038383948 /nfs/dbraw/zinc/38/39/48/1038383948.db2.gz AEYYDTMTTOCTKR-UHFFFAOYSA-N 1 0 371.441 2.803 20 5 FFBDRO COc1cc(N2CCC([N@@H+]3CCOC[C@@H]3C3CC3)CC2)ccc1[N+](=O)[O-] ZINC001256101493 1038387902 /nfs/dbraw/zinc/38/79/02/1038387902.db2.gz LAEBJOJWGQMDMB-GOSISDBHSA-N 1 0 361.442 2.683 20 5 FFBDRO C[C@H]1C[NH+](CCc2nnc(-c3cccc([N+](=O)[O-])c3Cl)o2)C[C@H](C)O1 ZINC001258139696 1039220591 /nfs/dbraw/zinc/22/05/91/1039220591.db2.gz VOPNXQVKSKMSDC-QWRGUYRKSA-N 1 0 366.805 2.950 20 5 FFBDRO CC(C)CCc1nnc(-c2cc([N+](=O)[O-])cc(N3CC[NH+](C)CC3)c2)o1 ZINC001258362510 1039333065 /nfs/dbraw/zinc/33/30/65/1039333065.db2.gz GHAMQASISJNEKS-UHFFFAOYSA-N 1 0 359.430 2.985 20 5 FFBDRO CCC[C@H]1CN(C2CCN(c3ccc([N+](=O)[O-])c(OC)c3)CC2)CC[NH2+]1 ZINC001246904698 1039527255 /nfs/dbraw/zinc/52/72/55/1039527255.db2.gz WUEBSTVCZQBXMO-HNNXBMFYSA-N 1 0 362.474 2.646 20 5 FFBDRO CN(C)c1ccccc1-c1noc(C[C@H]([NH3+])Cc2ccc([N+](=O)[O-])cc2)n1 ZINC001248215437 1040178000 /nfs/dbraw/zinc/17/80/00/1040178000.db2.gz DVGHAOLJDRHRKX-CQSZACIVSA-N 1 0 367.409 2.823 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]Cc3cccc(CCO)c3)CC2)cc1 ZINC001254470040 1040737228 /nfs/dbraw/zinc/73/72/28/1040737228.db2.gz MCWDYVIERIFLBM-UHFFFAOYSA-N 1 0 355.438 2.888 20 5 FFBDRO COC(=O)c1ccc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)nc1 ZINC001254470108 1040737521 /nfs/dbraw/zinc/73/75/21/1040737521.db2.gz PJQBGUCVRKDDQS-UHFFFAOYSA-N 1 0 370.409 2.535 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH+]3CCN(c4ccccn4)CC3)CC2)cc1 ZINC001254475129 1040741828 /nfs/dbraw/zinc/74/18/28/1040741828.db2.gz ASMXEUGSJYTJIJ-UHFFFAOYSA-N 1 0 367.453 2.781 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC(N3CC(N4CCC(F)(F)C4)C3)CC2)cc1 ZINC001254480188 1040747813 /nfs/dbraw/zinc/74/78/13/1040747813.db2.gz XHHGNVMAIQJDPJ-UHFFFAOYSA-N 1 0 366.412 2.589 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001254532058 1040781307 /nfs/dbraw/zinc/78/13/07/1040781307.db2.gz JIUIZPMVSKDSGE-MKVSYHDVSA-N 1 0 361.442 2.981 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]C1CCN(c3ccc(Cl)nn3)CC1)C2 ZINC001254566259 1040802542 /nfs/dbraw/zinc/80/25/42/1040802542.db2.gz JCMJXBUIDMBRCT-HNNXBMFYSA-N 1 0 373.844 2.764 20 5 FFBDRO Cc1nccc(N([C@H](C)Cc2ccccc2[N+](=O)[O-])C2CC[NH2+]CC2)n1 ZINC001254569061 1040804319 /nfs/dbraw/zinc/80/43/19/1040804319.db2.gz HKFVWBNEFZVCON-CQSZACIVSA-N 1 0 355.442 2.883 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](NC(=O)c2ccncc2)C1 ZINC001254568506 1040806083 /nfs/dbraw/zinc/80/60/83/1040806083.db2.gz GJYXQNCTIGCXPS-CRAIPNDOSA-N 1 0 368.437 2.815 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]Cc1ccccc1CN1CCOCC1)C2 ZINC001254572034 1040806978 /nfs/dbraw/zinc/80/69/78/1040806978.db2.gz GRAJDOJIILNKPS-FQEVSTJZSA-N 1 0 367.449 2.684 20 5 FFBDRO CCOC(=O)C[C@H]([NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1cccnc1 ZINC001254578082 1040812742 /nfs/dbraw/zinc/81/27/42/1040812742.db2.gz IZJRBBWVNVCZAH-WMZOPIPTSA-N 1 0 355.394 2.741 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]Cc1ccc(CN3CCOCC3)cc1)C2 ZINC001254583870 1040816844 /nfs/dbraw/zinc/81/68/44/1040816844.db2.gz OIRWOVDDFMIFES-HXUWFJFHSA-N 1 0 367.449 2.684 20 5 FFBDRO O=C1NCCCN1c1cccc(C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001254586524 1040818653 /nfs/dbraw/zinc/81/86/53/1040818653.db2.gz LEYAJKQKKDABSH-KRWDZBQOSA-N 1 0 366.421 2.772 20 5 FFBDRO CC(=O)N1CCCC[C@@]12CCC[N@@H+]([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254594722 1040822538 /nfs/dbraw/zinc/82/25/38/1040822538.db2.gz HFDYZDJQMMYBOK-UXHICEINSA-N 1 0 357.454 2.929 20 5 FFBDRO CC(=O)N1CCCC[C@@]12CCC[N@@H+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254594721 1040823019 /nfs/dbraw/zinc/82/30/19/1040823019.db2.gz HFDYZDJQMMYBOK-PMACEKPBSA-N 1 0 357.454 2.929 20 5 FFBDRO O=C(NC1CCC1)[C@@H]1CC12CC[NH+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)CC2 ZINC001254595804 1040824532 /nfs/dbraw/zinc/82/45/32/1040824532.db2.gz MWVRYKMCHGHOBU-OALUTQOASA-N 1 0 369.465 2.833 20 5 FFBDRO Cc1cccnc1N1CCC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254597410 1040827559 /nfs/dbraw/zinc/82/75/59/1040827559.db2.gz DGZZNVPALZPWRN-IBGZPJMESA-N 1 0 352.438 2.978 20 5 FFBDRO COc1cc(O[C@@H]2CC[N@@H+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)ccn1 ZINC001254605392 1040834166 /nfs/dbraw/zinc/83/41/66/1040834166.db2.gz BNQXGHOGWQDNMU-SJLPKXTDSA-N 1 0 355.394 2.619 20 5 FFBDRO O=C1OC2(CC[NH+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC2)c2cnccc21 ZINC001254606809 1040834741 /nfs/dbraw/zinc/83/47/41/1040834741.db2.gz HIEXKDSLVNUCTM-INIZCTEOSA-N 1 0 365.389 2.619 20 5 FFBDRO O=C1N(CC2CC2)CCC12CC[NH+]([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)CC2 ZINC001254610068 1040836462 /nfs/dbraw/zinc/83/64/62/1040836462.db2.gz HSTFKOZZKLTPMU-LJQANCHMSA-N 1 0 369.465 2.787 20 5 FFBDRO COC(=O)[C@H]1C[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)Cc2ccccc21 ZINC001254609388 1040836883 /nfs/dbraw/zinc/83/68/83/1040836883.db2.gz VYBSYHDQMRBWLI-MJGOQNOKSA-N 1 0 352.390 2.834 20 5 FFBDRO COc1cccc(N([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C2CC[NH2+]CC2)n1 ZINC001254610343 1040839601 /nfs/dbraw/zinc/83/96/01/1040839601.db2.gz JWJCOONVKRFFNC-SFHVURJKSA-N 1 0 368.437 2.724 20 5 FFBDRO COc1ccc(O[C@H]2CC[N@@H+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)nc1 ZINC001254612163 1040841763 /nfs/dbraw/zinc/84/17/63/1040841763.db2.gz VOQVWGVIPOALTC-WMZOPIPTSA-N 1 0 355.394 2.619 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)n1 ZINC001537964482 1070304410 /nfs/dbraw/zinc/30/44/10/1070304410.db2.gz FYNVECPMSRUMQC-IBGZPJMESA-N 1 0 368.437 2.939 20 5 FFBDRO C[C@H](COc1ccccc1F)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC001261435935 1041235791 /nfs/dbraw/zinc/23/57/91/1041235791.db2.gz KSNLVZVKDYODIJ-UKRRQHHQSA-N 1 0 364.373 2.531 20 5 FFBDRO C[NH+](C)[C@@H](CNC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1)c1ccccc1 ZINC001538902948 1070513234 /nfs/dbraw/zinc/51/32/34/1070513234.db2.gz KHLVJQLZDYCCEL-HNNXBMFYSA-N 1 0 362.817 2.863 20 5 FFBDRO C[C@H]([NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])C(=O)NCC(F)(F)F ZINC001319849755 1045285972 /nfs/dbraw/zinc/28/59/72/1045285972.db2.gz HUERXKPANAYQFY-SCRDCRAPSA-N 1 0 373.375 2.963 20 5 FFBDRO C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC001319897991 1045298050 /nfs/dbraw/zinc/29/80/50/1045298050.db2.gz HFODROAMNCOXQC-CABCVRRESA-N 1 0 368.865 2.963 20 5 FFBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@H](CO)CC1CCOCC1)C1CC1 ZINC001320863127 1045484034 /nfs/dbraw/zinc/48/40/34/1045484034.db2.gz NCPNGYDLMITYEV-VQIMIIECSA-N 1 0 362.470 2.931 20 5 FFBDRO Cc1c(Br)c(N2CCC[N@@H+]3CCC[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001323791886 1045727315 /nfs/dbraw/zinc/72/73/15/1045727315.db2.gz DBODYJVYUSNMGH-LLVKDONJSA-N 1 0 355.236 2.735 20 5 FFBDRO COC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC001322682736 1046179742 /nfs/dbraw/zinc/17/97/42/1046179742.db2.gz JXLRIZDDBQVUBE-ZYHUDNBSSA-N 1 0 357.204 2.789 20 5 FFBDRO COc1cccc2cc(C[NH2+]C[C@H](O)COc3cccc([N+](=O)[O-])c3)oc21 ZINC001325839790 1046657802 /nfs/dbraw/zinc/65/78/02/1046657802.db2.gz GGELWXYFIUAAIW-HNNXBMFYSA-N 1 0 372.377 2.879 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]Cc1cccc(Cl)c1F ZINC001326154974 1046788601 /nfs/dbraw/zinc/78/86/01/1046788601.db2.gz BAKPAVGUILVHMA-LBPRGKRZSA-N 1 0 354.765 2.917 20 5 FFBDRO Nc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC001540337889 1070851579 /nfs/dbraw/zinc/85/15/79/1070851579.db2.gz HJCMUDDWLLTJGO-SFHVURJKSA-N 1 0 354.410 2.744 20 5 FFBDRO CN(CC(=O)NC[C@@H]1CC[N@@H+]1C1CCCCCC1)c1ccccc1[N+](=O)[O-] ZINC001287947049 1047376680 /nfs/dbraw/zinc/37/66/80/1047376680.db2.gz MBEGCCNMOFOMOV-KRWDZBQOSA-N 1 0 374.485 2.944 20 5 FFBDRO CC[NH+](CC)Cc1ccc(CNC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)cc1 ZINC001540551952 1070928885 /nfs/dbraw/zinc/92/88/85/1070928885.db2.gz VGRFKWXUFLHURD-UHFFFAOYSA-N 1 0 365.821 2.743 20 5 FFBDRO COc1cccc([C@H]2C[NH2+]CCN2C(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC001331388865 1047909049 /nfs/dbraw/zinc/90/90/49/1047909049.db2.gz SAGTYFHWIQBSPI-GOSISDBHSA-N 1 0 355.394 2.699 20 5 FFBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]CC[C@@H]1CCCS1(=O)=O ZINC001331582727 1048020891 /nfs/dbraw/zinc/02/08/91/1048020891.db2.gz XEQRNHHYGQPYMV-NSHDSACASA-N 1 0 367.254 2.959 20 5 FFBDRO C[NH+]1CCN(C(C)(C)CNC(=O)c2cc([N+](=O)[O-])cc3ccccc32)CC1 ZINC001329275960 1048649594 /nfs/dbraw/zinc/64/95/94/1048649594.db2.gz IAAKZQOHBKMYHY-UHFFFAOYSA-N 1 0 370.453 2.504 20 5 FFBDRO CC1(C)[C@H](NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)[C@H]2CCC[NH2+][C@H]21 ZINC001333669719 1049042315 /nfs/dbraw/zinc/04/23/15/1049042315.db2.gz GIQVBXIUZVCNIL-GVDBMIGSSA-N 1 0 357.454 2.909 20 5 FFBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@@H]3CCC4(C[C@H]3F)OCCO4)c2c1 ZINC001333763501 1049107225 /nfs/dbraw/zinc/10/72/25/1049107225.db2.gz FHHSMSWWUMQWPY-NVXWUHKLSA-N 1 0 363.389 2.842 20 5 FFBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC001333771437 1049110940 /nfs/dbraw/zinc/11/09/40/1049110940.db2.gz NZYQWRCVHAXKJI-KRWDZBQOSA-N 1 0 369.824 2.922 20 5 FFBDRO CC[C@@]1(C(=O)NCc2ccc(Br)cc2[N+](=O)[O-])CCC[NH2+]1 ZINC001330961524 1049412967 /nfs/dbraw/zinc/41/29/67/1049412967.db2.gz SNBPPIFYAAHZNJ-AWEZNQCLSA-N 1 0 356.220 2.506 20 5 FFBDRO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC001292879846 1049425336 /nfs/dbraw/zinc/42/53/36/1049425336.db2.gz CIYKVGCKPCIIBA-GOEBONIOSA-N 1 0 372.425 2.511 20 5 FFBDRO O=C(N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1c(F)cccc1[N+](=O)[O-] ZINC001341572563 1050199461 /nfs/dbraw/zinc/19/94/61/1050199461.db2.gz BKKCLEHAMMNNHC-IFXJQAMLSA-N 1 0 371.368 2.720 20 5 FFBDRO [NH3+][C@@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[C@@H]1C(F)(F)F ZINC001341707501 1050327309 /nfs/dbraw/zinc/32/73/09/1050327309.db2.gz DNUNKHWICYFTNT-VHSXEESVSA-N 1 0 351.712 2.600 20 5 FFBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CC[C@H](CC[NH3+])C3)cc2[N+](=O)[O-])C1 ZINC001341872687 1050479365 /nfs/dbraw/zinc/47/93/65/1050479365.db2.gz NZMPGDDEHVMETE-OAGGEKHMSA-N 1 0 374.485 2.888 20 5 FFBDRO O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001341985633 1050581810 /nfs/dbraw/zinc/58/18/10/1050581810.db2.gz YCYCQEQTHWODGV-HXUWFJFHSA-N 1 0 372.469 2.943 20 5 FFBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NCC[C@@H]1CCC[NH2+]CC1 ZINC001342137801 1050731174 /nfs/dbraw/zinc/73/11/74/1050731174.db2.gz AJRSXCCIEZXENN-LLVKDONJSA-N 1 0 357.813 2.826 20 5 FFBDRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H](C)[N+](=O)[O-])n2Cc2ccccc2)C[C@H]1C ZINC001342144905 1050739457 /nfs/dbraw/zinc/73/94/57/1050739457.db2.gz OVQZCUWABBTDJB-OWCLPIDISA-N 1 0 372.473 2.583 20 5 FFBDRO COc1ccc(CC(=O)N2C[C@@H](CC[NH3+])c3ccccc32)cc1[N+](=O)[O-] ZINC001342304284 1050899760 /nfs/dbraw/zinc/89/97/60/1050899760.db2.gz ZOIWJVHMOKRPAM-CQSZACIVSA-N 1 0 355.394 2.625 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)OC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001342591583 1051197301 /nfs/dbraw/zinc/19/73/01/1051197301.db2.gz NHZJHFHYFOQRMC-KRWDZBQOSA-N 1 0 372.425 2.555 20 5 FFBDRO CCC[NH+]1CCC(N(C)c2nnc([C@H](C)[N+](=O)[O-])n2CC(C)C)CC1 ZINC001342991855 1051609122 /nfs/dbraw/zinc/60/91/22/1051609122.db2.gz FGKVTZJYFPUWDT-AWEZNQCLSA-N 1 0 352.483 2.582 20 5 FFBDRO CCC[NH+]1CCC(CNC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)CC1 ZINC001542754240 1071294352 /nfs/dbraw/zinc/29/43/52/1071294352.db2.gz FILQEPOYQBYMBL-UHFFFAOYSA-N 1 0 354.838 2.682 20 5 FFBDRO O=[N+]([O-])c1cccc2c1ccnc2N1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001307230075 1052273212 /nfs/dbraw/zinc/27/32/12/1052273212.db2.gz JXHCNHWJYUPROD-UHFFFAOYSA-N 1 0 370.453 2.960 20 5 FFBDRO CCC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccc(F)cc1F ZINC001307436375 1052307069 /nfs/dbraw/zinc/30/70/69/1052307069.db2.gz UWLFYSJGOSOAKP-UHFFFAOYSA-N 1 0 351.353 2.947 20 5 FFBDRO CC[C@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)c1cccc(S(N)(=O)=O)c1 ZINC001307633114 1052327760 /nfs/dbraw/zinc/32/77/60/1052327760.db2.gz PJIWWQAJZFOMNB-INIZCTEOSA-N 1 0 363.439 2.792 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(C[N@H+]2CCC[C@@H]2CCO)o1 ZINC001307824404 1052354365 /nfs/dbraw/zinc/35/43/65/1052354365.db2.gz YSFACWSPZCFXPB-LLVKDONJSA-N 1 0 352.778 2.645 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@]23C[N@@H+](C)C[C@@]2(C1)CCCC3 ZINC001308170768 1052425250 /nfs/dbraw/zinc/42/52/50/1052425250.db2.gz NDUDCQJRUQYIQY-BGYRXZFFSA-N 1 0 372.469 2.650 20 5 FFBDRO COC[C@H]([NH2+]Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)c1ccccc1 ZINC001308334005 1052447255 /nfs/dbraw/zinc/44/72/55/1052447255.db2.gz BQRFCBCVYREOST-INIZCTEOSA-N 1 0 374.393 2.624 20 5 FFBDRO [NH3+]CCN(Cc1cccc2c1OC(F)(F)O2)c1ccc([N+](=O)[O-])cc1 ZINC001308739921 1052493092 /nfs/dbraw/zinc/49/30/92/1052493092.db2.gz GVGCLXXYOSEHCP-UHFFFAOYSA-N 1 0 351.309 2.882 20 5 FFBDRO CCc1ccc(S(=O)(=O)NCCC[N@@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC001309015860 1052539804 /nfs/dbraw/zinc/53/98/04/1052539804.db2.gz KCQNBLVQZGLLKF-AWEZNQCLSA-N 1 0 369.487 2.700 20 5 FFBDRO C[C@H](CNC(=O)NCc1cccc2c1CC[NH2+]C2)c1ccccc1[N+](=O)[O-] ZINC001346649802 1053185972 /nfs/dbraw/zinc/18/59/72/1053185972.db2.gz UXKXLTKQRGNNEL-CQSZACIVSA-N 1 0 368.437 2.843 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])c4cccnc34)C[C@@H]2C1 ZINC001335653288 1053489896 /nfs/dbraw/zinc/48/98/96/1053489896.db2.gz RKJGNPJQKAREKX-SOUVJXGZSA-N 1 0 368.437 2.945 20 5 FFBDRO C[C@H](CNC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1)c1ccccc1[N+](=O)[O-] ZINC001335680513 1053501416 /nfs/dbraw/zinc/50/14/16/1053501416.db2.gz DUEGRNJLZRBNBV-RHSMWYFYSA-N 1 0 360.458 2.872 20 5 FFBDRO COCC[C@@]1([NH2+]Cc2cc([N+](=O)[O-])ccc2Br)CCOC1 ZINC001335957496 1053671249 /nfs/dbraw/zinc/67/12/49/1053671249.db2.gz CTEGMDOYDWKXJS-CQSZACIVSA-N 1 0 359.220 2.643 20 5 FFBDRO O=C(N[C@H]1C[NH+]2CCC1CC2)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC001347290575 1053800493 /nfs/dbraw/zinc/80/04/93/1053800493.db2.gz HCWQVNZJKIDENH-JTQLQIEISA-N 1 0 362.188 2.865 20 5 FFBDRO Nc1cc(NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)ncc1[N+](=O)[O-] ZINC001336622411 1054096499 /nfs/dbraw/zinc/09/64/99/1054096499.db2.gz JQYAJHDDGNNRIX-UHFFFAOYSA-N 1 0 359.352 2.789 20 5 FFBDRO CC[C@@](O)(CCC(F)(F)F)C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001336855480 1054289566 /nfs/dbraw/zinc/28/95/66/1054289566.db2.gz VQMFEBACQNGTQH-ZIAGYGMSSA-N 1 0 350.337 2.701 20 5 FFBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1C[NH+]2CCC1CC2 ZINC001337358828 1054685018 /nfs/dbraw/zinc/68/50/18/1054685018.db2.gz VLXXVLJABVIYRY-LBPRGKRZSA-N 1 0 355.847 2.551 20 5 FFBDRO Cc1cc(C(=O)Nc2cc(N3CC[NH+](C)CC3)ccc2[N+](=O)[O-])c(C)[nH]1 ZINC001337579007 1054862557 /nfs/dbraw/zinc/86/25/57/1054862557.db2.gz CKANKRSVTIHHTO-UHFFFAOYSA-N 1 0 357.414 2.544 20 5 FFBDRO O=C(c1cc(N[C@H]2CC[N@@H+]3CCCC[C@@H]23)ccc1[N+](=O)[O-])N1CCCC1 ZINC001337735679 1054978780 /nfs/dbraw/zinc/97/87/80/1054978780.db2.gz XLQNDDPGLYQQBM-WMZOPIPTSA-N 1 0 358.442 2.870 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)Cc3ccc([N+](=O)[O-])cc3Cl)C[C@@H]2C1 ZINC001337907139 1055094839 /nfs/dbraw/zinc/09/48/39/1055094839.db2.gz KMMUTGQSVRCTQP-QLFBSQMISA-N 1 0 365.861 2.979 20 5 FFBDRO CCC[N@@H+]1CCCC[C@@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001337997029 1055159970 /nfs/dbraw/zinc/15/99/70/1055159970.db2.gz MDSCOXHLWQHWCK-GOSISDBHSA-N 1 0 360.458 2.508 20 5 FFBDRO Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001356194670 1055372480 /nfs/dbraw/zinc/37/24/80/1055372480.db2.gz MWIHJAUBWRXMJI-BZUAXINKSA-N 1 0 370.457 2.557 20 5 FFBDRO CN(CC1CC[NH2+]CC1)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001356361794 1055470739 /nfs/dbraw/zinc/47/07/39/1055470739.db2.gz JFVAYIGKIRCXLO-UHFFFAOYSA-N 1 0 360.439 2.790 20 5 FFBDRO COc1ccc(CCNC(=[NH2+])NCCc2cccc([N+](=O)[O-])c2)cc1OC ZINC000849001488 1055498890 /nfs/dbraw/zinc/49/88/90/1055498890.db2.gz JNZUTZKHAHOMMN-UHFFFAOYSA-N 1 0 372.425 2.511 20 5 FFBDRO O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)NCC12CCC[NH+](CCC1)C2 ZINC001352464064 1055498969 /nfs/dbraw/zinc/49/89/69/1055498969.db2.gz BOVJZRKBWRPMBQ-UHFFFAOYSA-N 1 0 359.426 2.550 20 5 FFBDRO [NH2+]=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)NCCc1ccccc1 ZINC000849081081 1055632841 /nfs/dbraw/zinc/63/28/41/1055632841.db2.gz GOFFWCGAIKKKGV-UHFFFAOYSA-N 1 0 351.410 2.975 20 5 FFBDRO Cc1c(CNC(=[NH2+])N2CCN(c3ccc(F)cc3)CC2)cccc1[N+](=O)[O-] ZINC000849093044 1055635992 /nfs/dbraw/zinc/63/59/92/1055635992.db2.gz OUWIDBWLUMSJPN-UHFFFAOYSA-N 1 0 371.416 2.889 20 5 FFBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)C1(C2CC[NH2+]CC2)CC1 ZINC001357184351 1055812276 /nfs/dbraw/zinc/81/22/76/1055812276.db2.gz QUIGCRAMPWXNFF-UHFFFAOYSA-N 1 0 351.834 2.986 20 5 FFBDRO O=C(COc1ccccc1[N+](=O)[O-])N1C[C@@H]2CCC[N@@H+]2Cc2ccccc21 ZINC001350857289 1055969587 /nfs/dbraw/zinc/96/95/87/1055969587.db2.gz ZWCMYRCSAVIGMN-INIZCTEOSA-N 1 0 367.405 2.985 20 5 FFBDRO CCc1cccc(C(=O)Nc2cc(N3CC[NH+](C)CC3)ccc2[N+](=O)[O-])n1 ZINC001339184315 1056178357 /nfs/dbraw/zinc/17/83/57/1056178357.db2.gz IFKQGJTULCFESA-UHFFFAOYSA-N 1 0 369.425 2.556 20 5 FFBDRO CCn1c(-c2cccc([N+](=O)[O-])c2C)nnc1N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC001339235569 1056233777 /nfs/dbraw/zinc/23/37/77/1056233777.db2.gz WAKQCNJRQSGVKM-RHSMWYFYSA-N 1 0 370.457 2.712 20 5 FFBDRO CC(C)[NH+]1CCN(c2nnc(C(C)(C)c3ccc([N+](=O)[O-])cc3)n2C)CC1 ZINC001339377591 1056391643 /nfs/dbraw/zinc/39/16/43/1056391643.db2.gz XSPBMKOUKTUHIW-UHFFFAOYSA-N 1 0 372.473 2.580 20 5 FFBDRO C[C@@H]1C[N@H+](C(C)(C)CNc2ncnc3ccc([N+](=O)[O-])cc32)C[C@H](C)O1 ZINC000611701460 1056448295 /nfs/dbraw/zinc/44/82/95/1056448295.db2.gz JKGRFZTUWAXODS-BETUJISGSA-N 1 0 359.430 2.838 20 5 FFBDRO CCC[N@H+](CC)Cc1ccc(C(=O)OCc2cn(C)nc2[N+](=O)[O-])cc1 ZINC000847785840 1056620733 /nfs/dbraw/zinc/62/07/33/1056620733.db2.gz YENDPKNKFYWADG-UHFFFAOYSA-N 1 0 360.414 2.917 20 5 FFBDRO COc1ccc(OC)c(NC(=[NH2+])NCCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000849100274 1056760776 /nfs/dbraw/zinc/76/07/76/1056760776.db2.gz KJSNPCGPQVFILU-UHFFFAOYSA-N 1 0 360.370 2.627 20 5 FFBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000538096315 1056796072 /nfs/dbraw/zinc/79/60/72/1056796072.db2.gz BLEGVECDXVMQOJ-HIFRSBDPSA-N 1 0 352.398 2.885 20 5 FFBDRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H](c2cnn(C)c2)C1 ZINC000849483055 1056869429 /nfs/dbraw/zinc/86/94/29/1056869429.db2.gz VJAQJTAPKCBPTD-MSOLQXFVSA-N 1 0 371.441 2.781 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849483719 1056870034 /nfs/dbraw/zinc/87/00/34/1056870034.db2.gz IVHVJYKGVKESEK-CVEARBPZSA-N 1 0 371.441 2.619 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849597327 1056938311 /nfs/dbraw/zinc/93/83/11/1056938311.db2.gz SFOVPIGLQNCLQH-HOTGVXAUSA-N 1 0 371.441 2.619 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)CSc3ccccc3[N+](=O)[O-])C[C@H]2C1 ZINC001518467511 1058391771 /nfs/dbraw/zinc/39/17/71/1058391771.db2.gz KAKYSSGWFIDNKN-RBSFLKMASA-N 1 0 363.483 2.876 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCC[N@@H+]2C)cc1SC ZINC001518485529 1058397860 /nfs/dbraw/zinc/39/78/60/1058397860.db2.gz JGSGXWLCBPXDNK-NSHDSACASA-N 1 0 353.444 2.539 20 5 FFBDRO CCNc1ccc(C(=O)N2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)cc1[N+](=O)[O-] ZINC001518680404 1058458742 /nfs/dbraw/zinc/45/87/42/1058458742.db2.gz WTDZNHHWAUUNAV-HRCADAONSA-N 1 0 360.458 2.829 20 5 FFBDRO CCNc1ccc(C(=O)N2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)cc1[N+](=O)[O-] ZINC001518680409 1058458999 /nfs/dbraw/zinc/45/89/99/1058458999.db2.gz WTDZNHHWAUUNAV-JYJNAYRXSA-N 1 0 360.458 2.829 20 5 FFBDRO Cc1ccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)cc1[N+](=O)[O-] ZINC001200704261 1059154476 /nfs/dbraw/zinc/15/44/76/1059154476.db2.gz SCUNSGSORUPPDI-WOJBJXKFSA-N 1 0 369.465 2.876 20 5 FFBDRO O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001354571189 1059182390 /nfs/dbraw/zinc/18/23/90/1059182390.db2.gz UVBYSZVNDHVDPK-QXAKKESOSA-N 1 0 351.406 2.529 20 5 FFBDRO Nc1c(C(=O)NC[C@@]23CC[N@H+](C2)CCC3)cc2ccccc2c1[N+](=O)[O-] ZINC001452596448 1059258024 /nfs/dbraw/zinc/25/80/24/1059258024.db2.gz BVTSWVHEHHDMNZ-LJQANCHMSA-N 1 0 354.410 2.546 20 5 FFBDRO CC[NH+](CC)[C@H](C)Cn1c(C)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001515591654 1059711084 /nfs/dbraw/zinc/71/10/84/1059711084.db2.gz YUMAPIDSCUWZRH-CQSZACIVSA-N 1 0 372.473 2.788 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)c3cc(F)c([N+](=O)[O-])cc3F)C[C@@H]2C1 ZINC001355057716 1059838083 /nfs/dbraw/zinc/83/80/83/1059838083.db2.gz HTOSUJJYDPTCIV-SDDRHHMPSA-N 1 0 353.369 2.675 20 5 FFBDRO CCn1ccc(C(=O)Nc2cc(N3CC[NH+](C)CC3)ccc2[N+](=O)[O-])c1C ZINC001355081536 1059867896 /nfs/dbraw/zinc/86/78/96/1059867896.db2.gz QYRGTGYNVWDCFO-UHFFFAOYSA-N 1 0 371.441 2.729 20 5 FFBDRO C[C@H](Cn1c(CC2CC2)nnc1N(C)Cc1ccccc1[N+](=O)[O-])[NH+](C)C ZINC001510058527 1060164263 /nfs/dbraw/zinc/16/42/63/1060164263.db2.gz GOXKVPHFFPZELT-CQSZACIVSA-N 1 0 372.473 2.725 20 5 FFBDRO Cc1ccc(NC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(N)c1[N+](=O)[O-] ZINC001456751986 1060189271 /nfs/dbraw/zinc/18/92/71/1060189271.db2.gz SSRAGLZQKJZIRX-OAHLLOKOSA-N 1 0 354.410 2.946 20 5 FFBDRO Nc1c(C(=O)NCc2cnc3n2CCCC3)cc2ccccc2c1[N+](=O)[O-] ZINC001520988373 1060277562 /nfs/dbraw/zinc/27/75/62/1060277562.db2.gz GJYZLCPAAVYYHY-UHFFFAOYSA-N 1 0 365.393 2.793 20 5 FFBDRO CC[NH+](CC)CC[C@@H](C)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC001521007920 1060301564 /nfs/dbraw/zinc/30/15/64/1060301564.db2.gz RMWCLGJHHGPQNI-CYBMUJFWSA-N 1 0 365.430 2.606 20 5 FFBDRO Nc1cc(CCCCNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cc[nH+]1 ZINC001457429065 1060381627 /nfs/dbraw/zinc/38/16/27/1060381627.db2.gz HZWJNOJPADAQDR-UHFFFAOYSA-N 1 0 353.382 2.806 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCC2([NH+](C)C)Cc3ccccc3C2)c1 ZINC001458194612 1060535857 /nfs/dbraw/zinc/53/58/57/1060535857.db2.gz AANSOQCICJXXCD-UHFFFAOYSA-N 1 0 369.421 2.893 20 5 FFBDRO CCC(C)(C)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)CC1 ZINC000848762132 1060627759 /nfs/dbraw/zinc/62/77/59/1060627759.db2.gz IFFXQWSJFFSDJI-UHFFFAOYSA-N 1 0 360.458 2.798 20 5 FFBDRO CCC(=O)c1ccc(N2CCC[C@H](N3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000848795510 1060715869 /nfs/dbraw/zinc/71/58/69/1060715869.db2.gz IPJNYZWSPKYNPM-INIZCTEOSA-N 1 0 361.442 2.879 20 5 FFBDRO CCOC(=O)CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)C ZINC001460366668 1060977861 /nfs/dbraw/zinc/97/78/61/1060977861.db2.gz RDGCEDUEBQBFEA-UHFFFAOYSA-N 1 0 351.403 2.587 20 5 FFBDRO [NH3+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C[C@H]1c1cccc(F)c1 ZINC001521705984 1061086824 /nfs/dbraw/zinc/08/68/24/1061086824.db2.gz JADYASSVJFYNHS-ZSYWTGECSA-N 1 0 369.396 2.791 20 5 FFBDRO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CC[NH2+]C12CCCC2 ZINC001521865349 1061178250 /nfs/dbraw/zinc/17/82/50/1061178250.db2.gz YBDBNTBCMNSXGU-HNNXBMFYSA-N 1 0 351.834 2.972 20 5 FFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H](C)CC1(C)OCCO1 ZINC001462504925 1061652068 /nfs/dbraw/zinc/65/20/68/1061652068.db2.gz RKQHQAKUOMRXST-UONOGXRCSA-N 1 0 365.430 2.691 20 5 FFBDRO Cc1nnc(N(C)CCc2cccc([N+](=O)[O-])c2)n1CC[NH+]1CCCCC1 ZINC001492784966 1062212180 /nfs/dbraw/zinc/21/21/80/1062212180.db2.gz SJVNNBJFOPXGPR-UHFFFAOYSA-N 1 0 372.473 2.660 20 5 FFBDRO O=C(c1ccccc1[N+](=O)[O-])N1C[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC001529550420 1062338123 /nfs/dbraw/zinc/33/81/23/1062338123.db2.gz ISVYHONWRMNOTD-APWZRJJASA-N 1 0 351.406 2.941 20 5 FFBDRO [NH3+]C[C@]12CC[C@@H]1CCCN2C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC001523428903 1062465704 /nfs/dbraw/zinc/46/57/04/1062465704.db2.gz XQQWMSWDGFBXEU-XHDPSFHLSA-N 1 0 368.231 2.701 20 5 FFBDRO CC[NH+]1CCN(c2cc(N(C)C(=O)/C=C\SC)cc([N+](=O)[O-])c2)CC1 ZINC001531640319 1062835559 /nfs/dbraw/zinc/83/55/59/1062835559.db2.gz FESMTTAFUQTQRZ-YHYXMXQVSA-N 1 0 364.471 2.576 20 5 FFBDRO CC[NH+](CC)CC[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC001464867950 1062883117 /nfs/dbraw/zinc/88/31/17/1062883117.db2.gz UDGDNLZAZLMOQD-NSHDSACASA-N 1 0 363.867 2.647 20 5 FFBDRO CCOc1cc(NC(=O)c2ccnc(OCC[NH+](C)C)c2)ccc1[N+](=O)[O-] ZINC001532031174 1062955657 /nfs/dbraw/zinc/95/56/57/1062955657.db2.gz ZIKKYRVWRACNTQ-UHFFFAOYSA-N 1 0 374.397 2.581 20 5 FFBDRO CC[C@@H]1C[C@H]1C(=O)N(C)c1cc([N+](=O)[O-])cc(N2CC[NH+](CC)CC2)c1 ZINC001438314280 1062985110 /nfs/dbraw/zinc/98/51/10/1062985110.db2.gz FZBQFVMUYQLECO-RDTXWAMCSA-N 1 0 360.458 2.746 20 5 FFBDRO C[C@@H]1CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CCN1c1cc[nH+]cc1 ZINC001438906490 1063067360 /nfs/dbraw/zinc/06/73/60/1063067360.db2.gz DWLTURCYUOVVPG-CQSZACIVSA-N 1 0 372.450 2.819 20 5 FFBDRO C[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2N)CC[N@@H+]1Cc1ccccc1 ZINC001465619773 1063156969 /nfs/dbraw/zinc/15/69/69/1063156969.db2.gz AAQULNOJVCOACW-HOCLYGCPSA-N 1 0 368.437 2.960 20 5 FFBDRO CC1(C)CC[N@H+](CCNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001440030959 1063253390 /nfs/dbraw/zinc/25/33/90/1063253390.db2.gz CLJIIGQOHSRSNO-UHFFFAOYSA-N 1 0 369.849 2.865 20 5 FFBDRO O=C(Nc1ccc(F)c([N+](=O)[O-])c1)NC1CCN(c2cc[nH+]cc2)CC1 ZINC001466678649 1063518942 /nfs/dbraw/zinc/51/89/42/1063518942.db2.gz GGWZFWIHBIKTBN-UHFFFAOYSA-N 1 0 359.361 2.919 20 5 FFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC001466686085 1063520376 /nfs/dbraw/zinc/52/03/76/1063520376.db2.gz CUHHAHJEKWZHLV-GFCCVEGCSA-N 1 0 370.837 2.525 20 5 FFBDRO CCCc1n[nH]c(C(=O)NC2CCC3(CC2)CC[NH+](C)CC3)c1[N+](=O)[O-] ZINC001468424340 1063983952 /nfs/dbraw/zinc/98/39/52/1063983952.db2.gz VTXWHIPBJKGTNQ-UHFFFAOYSA-N 1 0 363.462 2.655 20 5 FFBDRO C[NH+]1CCC2(CC1)CN(C(=O)c1cc([N+](=O)[O-])c[nH]1)Cc1ccccc12 ZINC001470634980 1064389775 /nfs/dbraw/zinc/38/97/75/1064389775.db2.gz WMAWRYVPBZHTJC-UHFFFAOYSA-N 1 0 354.410 2.542 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)c1 ZINC001471798359 1064791955 /nfs/dbraw/zinc/79/19/55/1064791955.db2.gz MMPWNEVQARZSDK-RDJZCZTQSA-N 1 0 361.442 2.524 20 5 FFBDRO C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001472495929 1065082274 /nfs/dbraw/zinc/08/22/74/1065082274.db2.gz FMTSEJOVXMEGDO-GOSISDBHSA-N 1 0 374.485 2.504 20 5 FFBDRO CC(C)C[N@@H+]1CC[C@@H](CNc2c3cc([N+](=O)[O-])ccc3ncc2[N+](=O)[O-])C1 ZINC001472730615 1065136603 /nfs/dbraw/zinc/13/66/03/1065136603.db2.gz QTXADVJAYKCAKS-ZDUSSCGKSA-N 1 0 373.413 2.863 20 5 FFBDRO CN(CCC[N@H+](C)Cc1ccncc1)c1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC001472821531 1065152177 /nfs/dbraw/zinc/15/21/77/1065152177.db2.gz NLIQXTGFCLESDA-UHFFFAOYSA-N 1 0 359.386 2.856 20 5 FFBDRO CCOC(=O)c1ccnc(N[C@@H](CC[NH+](C)C)c2cccnc2)c1[N+](=O)[O-] ZINC001472881856 1065167027 /nfs/dbraw/zinc/16/70/27/1065167027.db2.gz BFNINZBDQSAGIY-HNNXBMFYSA-N 1 0 373.413 2.666 20 5 FFBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1cc(-c2nn[nH]n2)ccc1[N+](=O)[O-] ZINC001575969129 1078182822 /nfs/dbraw/zinc/18/28/22/1078182822.db2.gz IZGUHVWIDGVQFT-JHJVBQTASA-N 1 0 359.434 2.553 20 5 FFBDRO CCOc1ccccc1C[NH2+]Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC001473952382 1065425869 /nfs/dbraw/zinc/42/58/69/1065425869.db2.gz BQRZDPNTLIKIBL-UHFFFAOYSA-N 1 0 374.393 2.835 20 5 FFBDRO CCc1ccc(S(=O)(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)cc1[N+](=O)[O-] ZINC001474960452 1065655650 /nfs/dbraw/zinc/65/56/50/1065655650.db2.gz KHNNJZXWODYYTO-MRXNPFEDSA-N 1 0 371.503 2.802 20 5 FFBDRO C[NH2+]CCCN(C)c1c2ccc(Br)cc2ncc1[N+](=O)[O-] ZINC001578687128 1078516751 /nfs/dbraw/zinc/51/67/51/1078516751.db2.gz NAXCXMPWWMGLLM-UHFFFAOYSA-N 1 0 353.220 2.951 20 5 FFBDRO [NH3+][C@H]1C[C@H](NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])C12CCC2 ZINC001580163198 1078758724 /nfs/dbraw/zinc/75/87/24/1078758724.db2.gz KQPLTNZPDPRKMD-GJZGRUSLSA-N 1 0 352.394 2.657 20 5 FFBDRO [NH3+]C1CC2(C1)CC(NC(=O)N1CCC[C@H](c3ccc([N+](=O)[O-])cc3)C1)C2 ZINC001580164760 1078758833 /nfs/dbraw/zinc/75/88/33/1078758833.db2.gz JMBVBANKLZMYBJ-DKWICNMVSA-N 1 0 358.442 2.754 20 5 FFBDRO [NH3+][C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CC=CCC2)C1 ZINC001580189217 1078761921 /nfs/dbraw/zinc/76/19/21/1078761921.db2.gz JPDATDWGAVAKEX-GDBMZVCRSA-N 1 0 368.441 2.747 20 5 FFBDRO [NH3+]C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1Br)C1CCCC1 ZINC001580227941 1078769092 /nfs/dbraw/zinc/76/90/92/1078769092.db2.gz HWLDHIJHKBHIAF-LLVKDONJSA-N 1 0 356.220 2.605 20 5 FFBDRO [NH3+]C[C@@]12CN(C(=O)C3(c4ccc([N+](=O)[O-])cc4)CCC3)C[C@H]1CCCC2 ZINC001580253840 1078775605 /nfs/dbraw/zinc/77/56/05/1078775605.db2.gz TVVIJJFKTIZLFQ-APWZRJJASA-N 1 0 357.454 2.994 20 5 FFBDRO [NH3+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC001580333453 1078787919 /nfs/dbraw/zinc/78/79/19/1078787919.db2.gz JGGRBSTZZJUZEF-XFIJJGBISA-N 1 0 365.433 2.874 20 5 FFBDRO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])NC1(c2ccccc2)C[NH2+]C1 ZINC001580542368 1078820259 /nfs/dbraw/zinc/82/02/59/1078820259.db2.gz NZOCJHGRTVXDGF-UHFFFAOYSA-N 1 0 359.813 2.796 20 5 FFBDRO O=C(c1ccnc(-c2ccccc2)c1[N+](=O)[O-])N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001580826567 1078873864 /nfs/dbraw/zinc/87/38/64/1078873864.db2.gz RQOZIZLNLNOWJA-CABCVRRESA-N 1 0 352.394 2.623 20 5 FFBDRO CCOc1ccc(C(=O)N2CC[NH2+][C@@H](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC001557864133 1075902389 /nfs/dbraw/zinc/90/23/89/1075902389.db2.gz DKRNQKYULHXIRT-KRWDZBQOSA-N 1 0 369.421 2.650 20 5 FFBDRO C[C@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001585774455 1079499397 /nfs/dbraw/zinc/49/93/97/1079499397.db2.gz AGRLUSPIWAYBHY-CZUORRHYSA-N 1 0 351.422 2.855 20 5 FFBDRO COc1ccc(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C(C)C)cc1[N+](=O)[O-] ZINC001558767938 1076072768 /nfs/dbraw/zinc/07/27/68/1076072768.db2.gz RPIAHDRWJNZHBW-CVEARBPZSA-N 1 0 361.442 2.938 20 5 FFBDRO C[N@@H+]1CC[C@@H]2CN(c3c4cc([N+](=O)[O-])ccc4ncc3[N+](=O)[O-])CC[C@@H]21 ZINC001559259889 1076140847 /nfs/dbraw/zinc/14/08/47/1076140847.db2.gz PXGCUOFWFBYLTH-ABAIWWIYSA-N 1 0 357.370 2.582 20 5 FFBDRO CC(C)[C@H]1CCCC[N@@H+]1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001559541394 1076170634 /nfs/dbraw/zinc/17/06/34/1076170634.db2.gz PAZZKRAQDLOSPL-LJQANCHMSA-N 1 0 374.485 2.754 20 5 FFBDRO COc1ccc2c(c1)CC[C@@H]([NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-])C2 ZINC001560704955 1076293182 /nfs/dbraw/zinc/29/31/82/1076293182.db2.gz ATHDUTLCJDXRCV-OAHLLOKOSA-N 1 0 358.394 2.965 20 5 FFBDRO Cc1cc(S(=O)(=O)NC[C@@H](C)C[NH+]2CCCCC2)c(C)cc1[N+](=O)[O-] ZINC001561150325 1076339219 /nfs/dbraw/zinc/33/92/19/1076339219.db2.gz CQHBECIFFIQOIB-CYBMUJFWSA-N 1 0 369.487 2.612 20 5 FFBDRO CCCN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)C[C@@]12CC[N@H+](C1)CCC2 ZINC001561507771 1076385933 /nfs/dbraw/zinc/38/59/33/1076385933.db2.gz SBYDEPHWINRPFZ-KRWDZBQOSA-N 1 0 367.471 2.627 20 5 FFBDRO O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001565781350 1076764929 /nfs/dbraw/zinc/76/49/29/1076764929.db2.gz OZJVJGMKNWCXSN-AWEZNQCLSA-N 1 0 351.834 2.878 20 5 FFBDRO C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1N)C1CC1 ZINC001567881115 1077057670 /nfs/dbraw/zinc/05/76/70/1077057670.db2.gz DBGNZLBSWIHGRB-IBGZPJMESA-N 1 0 368.437 2.817 20 5 FFBDRO O=C(NCC1([NH2+]Cc2ccc(Cl)cc2F)CCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001568235112 1077079862 /nfs/dbraw/zinc/07/98/62/1077079862.db2.gz KKSSNJSQPINQNV-UKRRQHHQSA-N 1 0 369.824 2.663 20 5 FFBDRO CCNc1ccc(C(=O)N2C[C@]34C[N@H+](C)C[C@@]3(C2)CCCC4)cc1[N+](=O)[O-] ZINC001586605043 1079654935 /nfs/dbraw/zinc/65/49/35/1079654935.db2.gz XRABDOLHMMAROY-BGYRXZFFSA-N 1 0 372.469 2.975 20 5 FFBDRO CC(C)([NH2+]Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC001589321792 1080481759 /nfs/dbraw/zinc/48/17/59/1080481759.db2.gz QBSAVSFPASFUGJ-UHFFFAOYSA-N 1 0 356.361 2.939 20 5 FFBDRO C[C@@]1(c2ccccc2)CC[N@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C1 ZINC001590153615 1081056001 /nfs/dbraw/zinc/05/60/01/1081056001.db2.gz MNVYZQYJRIYJMW-LJQANCHMSA-N 1 0 364.409 2.939 20 5 FFBDRO C[C@H]1CCC[N@H+](CCCCNc2ccc([N+](=O)[O-])c(-c3nn[nH]n3)c2)C1 ZINC001590259430 1081129298 /nfs/dbraw/zinc/12/92/98/1081129298.db2.gz KOFWTMFQPFCMJV-ZDUSSCGKSA-N 1 0 359.434 2.699 20 5 FFBDRO CN(c1c2cc(Br)ccc2ncc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000071311634 249756795 /nfs/dbraw/zinc/75/67/95/249756795.db2.gz UXCGVSMIROWRAA-JTQLQIEISA-N 1 0 351.204 2.704 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000093191549 250020221 /nfs/dbraw/zinc/02/02/21/250020221.db2.gz KKMNXDPVWRKAQU-UHFFFAOYSA-N 1 0 370.409 2.645 20 5 FFBDRO Cn1cc(CN2CC[C@H](C[NH+]3CCCC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093596958 250039584 /nfs/dbraw/zinc/03/95/84/250039584.db2.gz KNYSWFLPHZPVQU-MRXNPFEDSA-N 1 0 369.469 2.913 20 5 FFBDRO Nc1ccc(C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1[N+](=O)[O-] ZINC000103096587 250134709 /nfs/dbraw/zinc/13/47/09/250134709.db2.gz ARKTZUMKKZVBGF-OAHLLOKOSA-N 1 0 360.458 2.905 20 5 FFBDRO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000105008164 250193751 /nfs/dbraw/zinc/19/37/51/250193751.db2.gz BTOMPIKAQYXNQR-GFCCVEGCSA-N 1 0 370.356 2.898 20 5 FFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000132069792 251043854 /nfs/dbraw/zinc/04/38/54/251043854.db2.gz BJIRFTRBOMWVHL-KDOFPFPSSA-N 1 0 357.410 2.505 20 5 FFBDRO CCCC[N@H+](CC)Cc1cccc(CNC(=O)c2[nH]ncc2[N+](=O)[O-])c1 ZINC000153389818 251132120 /nfs/dbraw/zinc/13/21/20/251132120.db2.gz NDMLBPKYVVJVGU-UHFFFAOYSA-N 1 0 359.430 2.870 20 5 FFBDRO C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cc(Cl)ccc1Cl ZINC000186753210 251258203 /nfs/dbraw/zinc/25/82/03/251258203.db2.gz ILBXYGXUVMKABB-CABZTGNLSA-N 1 0 359.213 2.810 20 5 FFBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000181083652 251238563 /nfs/dbraw/zinc/23/85/63/251238563.db2.gz UOBVZCVBKKPJBJ-CABCVRRESA-N 1 0 360.458 2.904 20 5 FFBDRO O=C(CC[N@@H+]1CCSC2(CCOCC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000186813237 251269477 /nfs/dbraw/zinc/26/94/77/251269477.db2.gz DCLIQMZHNMDBQR-UHFFFAOYSA-N 1 0 365.455 2.521 20 5 FFBDRO O=[N+]([O-])c1ccc(Br)cc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000268780657 251381966 /nfs/dbraw/zinc/38/19/66/251381966.db2.gz CFMQNJSXGKYGGF-LBPRGKRZSA-N 1 0 370.247 2.516 20 5 FFBDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000272335444 252012213 /nfs/dbraw/zinc/01/22/13/252012213.db2.gz WEAIQOCTZNUEQJ-QWRGUYRKSA-N 1 0 374.363 2.611 20 5 FFBDRO C[NH+]1CCC(C)(CNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000272574491 252071391 /nfs/dbraw/zinc/07/13/91/252071391.db2.gz PPYWQRYBOYPVGI-UHFFFAOYSA-N 1 0 357.357 2.658 20 5 FFBDRO CC[N@@H+]1CCCN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000272474660 252047719 /nfs/dbraw/zinc/04/77/19/252047719.db2.gz IUBAUWKRMASZBY-UHFFFAOYSA-N 1 0 354.838 2.528 20 5 FFBDRO CC[N@@H+]1CCCC[C@H]1CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272584335 252073818 /nfs/dbraw/zinc/07/38/18/252073818.db2.gz YRAWSUXZBQFIFI-ZWKOTPCHSA-N 1 0 357.458 2.882 20 5 FFBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3)[C@H]2C1 ZINC000272604396 252079219 /nfs/dbraw/zinc/07/92/19/252079219.db2.gz YYBYDVUWTAOWQY-HZMBPMFUSA-N 1 0 368.231 2.524 20 5 FFBDRO C[C@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C1=CC[N@H+](C)CC1 ZINC000273025624 252195423 /nfs/dbraw/zinc/19/54/23/252195423.db2.gz UJSJKOUAVUMRLI-AWEZNQCLSA-N 1 0 358.442 2.575 20 5 FFBDRO COCC[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(C)o1 ZINC000273227163 252258686 /nfs/dbraw/zinc/25/86/86/252258686.db2.gz BXUBYTXIVRVJBD-GJZGRUSLSA-N 1 0 364.398 2.603 20 5 FFBDRO COc1ccc(NC(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000273470419 252312212 /nfs/dbraw/zinc/31/22/12/252312212.db2.gz JCFJAJDONHEVGC-LBPRGKRZSA-N 1 0 350.419 2.797 20 5 FFBDRO C[NH+](C)C1(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CCC1 ZINC000275687262 256038292 /nfs/dbraw/zinc/03/82/92/256038292.db2.gz AHUSONUKMKDHJI-UHFFFAOYSA-N 1 0 374.210 2.711 20 5 FFBDRO C[NH+](C)CCc1ccc(CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000276222267 256081867 /nfs/dbraw/zinc/08/18/67/256081867.db2.gz JCDILGWLQKYLMN-UHFFFAOYSA-N 1 0 372.381 2.537 20 5 FFBDRO CCN(CCC[NH+]1CCCC1)C(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000276523074 256107927 /nfs/dbraw/zinc/10/79/27/256107927.db2.gz XUCUBMQOIDLTEC-UHFFFAOYSA-N 1 0 365.430 2.560 20 5 FFBDRO CC(C)NC(=O)c1ccc(N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c([N+](=O)[O-])c1 ZINC000277087702 256160056 /nfs/dbraw/zinc/16/00/56/256160056.db2.gz VFLMFYXWPBPFIS-CVEARBPZSA-N 1 0 360.458 2.654 20 5 FFBDRO CC[NH+]1CCN([C@H]2CCN(c3c(C)cc([N+](=O)[O-])cc3Cl)C2)CC1 ZINC000277734173 256232507 /nfs/dbraw/zinc/23/25/07/256232507.db2.gz HNHXRJARHWJNCF-AWEZNQCLSA-N 1 0 352.866 2.773 20 5 FFBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)NCC1CC[NH+](C2CC2)CC1 ZINC000278220100 256288988 /nfs/dbraw/zinc/28/89/88/256288988.db2.gz DTPXJEGRUCGFKL-UHFFFAOYSA-N 1 0 360.458 2.778 20 5 FFBDRO O=C(NCC1CC[NH+](C2CC2)CC1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000279111151 256383160 /nfs/dbraw/zinc/38/31/60/256383160.db2.gz UJQWFGCSMYTPHL-UHFFFAOYSA-N 1 0 369.368 2.800 20 5 FFBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000279264934 256399543 /nfs/dbraw/zinc/39/95/43/256399543.db2.gz JTJIWMDNQCXTGU-GFCCVEGCSA-N 1 0 369.824 2.874 20 5 FFBDRO C[C@H]([NH2+]CCS(=O)(=O)CCc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000282415400 256732414 /nfs/dbraw/zinc/73/24/14/256732414.db2.gz IGGMTNNHEIUURC-HNNXBMFYSA-N 1 0 362.451 2.903 20 5 FFBDRO COc1ccc(NC(=O)C[N@@H+]2CCCCC[C@H]2C[C@H](C)O)c([N+](=O)[O-])c1 ZINC000285942680 257012574 /nfs/dbraw/zinc/01/25/74/257012574.db2.gz MFEDGTZHQDNFEK-KBPBESRZSA-N 1 0 365.430 2.557 20 5 FFBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000286619241 257045873 /nfs/dbraw/zinc/04/58/73/257045873.db2.gz AHNRLQKIWOWTRO-WBVHZDCISA-N 1 0 372.469 2.894 20 5 FFBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000287044070 257068960 /nfs/dbraw/zinc/06/89/60/257068960.db2.gz SYZKQAQIGPFBLG-CJNGLKHVSA-N 1 0 357.414 2.703 20 5 FFBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1ccc([N+](=O)[O-])cc1N1CCOC1=O ZINC000286387697 257034515 /nfs/dbraw/zinc/03/45/15/257034515.db2.gz OSKUTYZGRPSBOK-UKRRQHHQSA-N 1 0 360.414 2.614 20 5 FFBDRO C[C@H](CO)[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C1CCCC1 ZINC000287598149 257097843 /nfs/dbraw/zinc/09/78/43/257097843.db2.gz DCFOYVUCMVWXAS-GFCCVEGCSA-N 1 0 353.394 2.688 20 5 FFBDRO CN(C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])nc1 ZINC000288737662 257222096 /nfs/dbraw/zinc/22/20/96/257222096.db2.gz HCHZJDRACNPWTM-MRXNPFEDSA-N 1 0 354.410 2.865 20 5 FFBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000288494324 257196052 /nfs/dbraw/zinc/19/60/52/257196052.db2.gz RSSMKLISTWWWCR-WFASDCNBSA-N 1 0 353.369 2.772 20 5 FFBDRO O=C(CC[N@@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1)Nc1ccccc1[N+](=O)[O-] ZINC000289419096 257280031 /nfs/dbraw/zinc/28/00/31/257280031.db2.gz BSYLRKKCMAFFKJ-WMZOPIPTSA-N 1 0 359.426 2.957 20 5 FFBDRO C[NH+](C)[C@@]1(CNC(=O)Nc2cccc([N+](=O)[O-])c2Cl)CCSC1 ZINC000289806892 257300276 /nfs/dbraw/zinc/30/02/76/257300276.db2.gz VJAFUJTWHRZUQH-CQSZACIVSA-N 1 0 358.851 2.807 20 5 FFBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000289900146 257305580 /nfs/dbraw/zinc/30/55/80/257305580.db2.gz UHHBJUVXFQEJGN-CVEARBPZSA-N 1 0 372.469 2.513 20 5 FFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@H](n2cc(Cl)cn2)C1 ZINC000289943589 257307836 /nfs/dbraw/zinc/30/78/36/257307836.db2.gz PSNLKGRIIAETDU-ABAIWWIYSA-N 1 0 363.805 2.719 20 5 FFBDRO Cc1cnn([C@H]2CCN(CC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C2)c1 ZINC000289988879 257310014 /nfs/dbraw/zinc/31/00/14/257310014.db2.gz SFVRAUSRVLCRRA-ZDUSSCGKSA-N 1 0 363.805 2.639 20 5 FFBDRO CCNC(=O)N1CC[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000290969010 257369003 /nfs/dbraw/zinc/36/90/03/257369003.db2.gz XCXNOAYVXXDDDV-LLVKDONJSA-N 1 0 361.229 2.795 20 5 FFBDRO COC(=O)Cc1ccc(N2CCC[C@@H]([NH+]3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000297189710 257798868 /nfs/dbraw/zinc/79/88/68/257798868.db2.gz QMXCXCJRQLKMQR-MRXNPFEDSA-N 1 0 361.442 2.765 20 5 FFBDRO Cc1cccc(C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000297314311 257815101 /nfs/dbraw/zinc/81/51/01/257815101.db2.gz WIVKVVWSWGFSNR-DOTOQJQBSA-N 1 0 357.385 2.999 20 5 FFBDRO C[C@@H](Nc1ccc(C(=O)NCCC[NH+](C)C)cc1[N+](=O)[O-])c1ccccn1 ZINC000299021916 257957261 /nfs/dbraw/zinc/95/72/61/257957261.db2.gz GSARDHPRSJAKHW-CQSZACIVSA-N 1 0 371.441 2.844 20 5 FFBDRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000301131397 258027978 /nfs/dbraw/zinc/02/79/78/258027978.db2.gz RVPADTCFRFRUID-GASCZTMLSA-N 1 0 350.438 2.729 20 5 FFBDRO C[N@@H+]1CCCC[C@@H]1CN1CCN(c2ccc([N+](=O)[O-])c3cccnc32)CC1 ZINC000301185887 258032457 /nfs/dbraw/zinc/03/24/57/258032457.db2.gz JYWIDCQDMZQXKQ-MRXNPFEDSA-N 1 0 369.469 2.749 20 5 FFBDRO Cc1nn(C)c(Nc2ccc(CC[NH+]3CCSCC3)cc2)c1[N+](=O)[O-] ZINC000301242926 258036401 /nfs/dbraw/zinc/03/64/01/258036401.db2.gz ABTZEHBGVLMCBA-UHFFFAOYSA-N 1 0 361.471 2.972 20 5 FFBDRO Cc1cc([N+](=O)[O-])cnc1N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000301335338 258043479 /nfs/dbraw/zinc/04/34/79/258043479.db2.gz BXCWISVVNMEBQE-UHFFFAOYSA-N 1 0 355.442 2.557 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000302195415 258093952 /nfs/dbraw/zinc/09/39/52/258093952.db2.gz SIKKGOJPXNILNB-GOEBONIOSA-N 1 0 359.426 2.835 20 5 FFBDRO C[C@H]1CN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC000302480143 258103479 /nfs/dbraw/zinc/10/34/79/258103479.db2.gz GJYYEGBJRVHUBO-NSHDSACASA-N 1 0 361.364 2.895 20 5 FFBDRO Cc1cnc(N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)c([N+](=O)[O-])c1 ZINC000301731033 258065552 /nfs/dbraw/zinc/06/55/52/258065552.db2.gz SLCAWAHEQKRRNU-DLBZAZTESA-N 1 0 356.426 2.593 20 5 FFBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000330476739 258164649 /nfs/dbraw/zinc/16/46/49/258164649.db2.gz VIONGYOTUMZPNA-LLVKDONJSA-N 1 0 370.247 2.832 20 5 FFBDRO CC[N@@H+]1C[C@@H](C)N(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000330587742 258166282 /nfs/dbraw/zinc/16/62/82/258166282.db2.gz UATMFTKVUHIFKJ-VXGBXAGGSA-N 1 0 354.838 2.601 20 5 FFBDRO CS[C@@H]1CN(C(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)C[C@@H]1[NH+](C)C ZINC000330646135 258167434 /nfs/dbraw/zinc/16/74/34/258167434.db2.gz GTUFZISLINYBRT-UONOGXRCSA-N 1 0 351.472 2.638 20 5 FFBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000331106904 258177261 /nfs/dbraw/zinc/17/72/61/258177261.db2.gz GSHOKAFOYRSGRS-UPJWGTAASA-N 1 0 369.412 2.898 20 5 FFBDRO CC(C)[C@H]1CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000331148485 258178279 /nfs/dbraw/zinc/17/82/79/258178279.db2.gz NYJPZXRPKVPKJU-CQSZACIVSA-N 1 0 370.247 2.770 20 5 FFBDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(Br)cc1[N+](=O)[O-] ZINC000332228244 258219936 /nfs/dbraw/zinc/21/99/36/258219936.db2.gz CQYPJFWXOBIUPW-OLZOCXBDSA-N 1 0 368.231 2.714 20 5 FFBDRO O=C(NC1CCCCC1)C1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000332516662 258232940 /nfs/dbraw/zinc/23/29/40/258232940.db2.gz HOHJZQXZFUMPSM-UHFFFAOYSA-N 1 0 361.442 2.961 20 5 FFBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000332631817 258238412 /nfs/dbraw/zinc/23/84/12/258238412.db2.gz RHBCLUWKTMOLPT-QGZVFWFLSA-N 1 0 362.474 2.899 20 5 FFBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000245708363 510098064 /nfs/dbraw/zinc/09/80/64/510098064.db2.gz YRFMJEAGCWRCAT-QMTHXVAHSA-N 1 0 370.247 2.770 20 5 FFBDRO Cc1noc([C@@H]2CCC[N@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3C)C2)n1 ZINC000052862434 506268487 /nfs/dbraw/zinc/26/84/87/506268487.db2.gz WOPIYHVSKLMQPU-CQSZACIVSA-N 1 0 373.413 2.803 20 5 FFBDRO CC[NH+](CC)[C@H](CNC(=O)COc1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000052991246 506292120 /nfs/dbraw/zinc/29/21/20/506292120.db2.gz RCYWIGLFJUROKU-MRXNPFEDSA-N 1 0 361.398 2.766 20 5 FFBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000065868011 506382367 /nfs/dbraw/zinc/38/23/67/506382367.db2.gz BNRLMPJQPWGSAK-IYBDPMFKSA-N 1 0 362.474 2.881 20 5 FFBDRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000371211110 512270914 /nfs/dbraw/zinc/27/09/14/512270914.db2.gz XCMWRBGCFKQDJW-UHFFFAOYSA-N 1 0 354.410 2.646 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CC(C)C)C1CC[NH+](C)CC1 ZINC000053672007 506426702 /nfs/dbraw/zinc/42/67/02/506426702.db2.gz LXMPLINAFYYAJZ-UHFFFAOYSA-N 1 0 369.487 2.644 20 5 FFBDRO CC[NH+]1CCC(CNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000066454306 506523146 /nfs/dbraw/zinc/52/31/46/506523146.db2.gz RNOKAXVUQRECSC-UHFFFAOYSA-N 1 0 374.485 2.659 20 5 FFBDRO O=C(COc1ccccc1[N+](=O)[O-])NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000010447024 506742369 /nfs/dbraw/zinc/74/23/69/506742369.db2.gz YQDHGBKYZJBDIF-INIZCTEOSA-N 1 0 373.409 2.910 20 5 FFBDRO COc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000010448455 506742651 /nfs/dbraw/zinc/74/26/51/506742651.db2.gz RWUXILJSOSKYIR-MRXNPFEDSA-N 1 0 355.394 2.608 20 5 FFBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000055416300 506747148 /nfs/dbraw/zinc/74/71/48/506747148.db2.gz PLFSVVVUOKELRB-MRXNPFEDSA-N 1 0 363.461 2.755 20 5 FFBDRO COc1cccc([C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2C)[NH+](C)C)c1 ZINC000067140081 506769365 /nfs/dbraw/zinc/76/93/65/506769365.db2.gz DBPWFNHYWMFIDZ-SFHVURJKSA-N 1 0 357.410 2.945 20 5 FFBDRO O=C1[C@H]([NH+]2CCC3(CCOCC3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000375398490 512304602 /nfs/dbraw/zinc/30/46/02/512304602.db2.gz XDMQNVFVJCRDDY-QGZVFWFLSA-N 1 0 359.426 2.593 20 5 FFBDRO COc1ccc(CC(=O)N(CC[NH+](C)C)C2CCCCC2)cc1[N+](=O)[O-] ZINC000067820432 507018182 /nfs/dbraw/zinc/01/81/82/507018182.db2.gz ZDOMSOGAEIUOSQ-UHFFFAOYSA-N 1 0 363.458 2.869 20 5 FFBDRO COc1ccc(CC(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000067911400 507049724 /nfs/dbraw/zinc/04/97/24/507049724.db2.gz LITIUQKIWQQVPY-QLFBSQMISA-N 1 0 363.458 2.629 20 5 FFBDRO C[C@H]1CN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000367059543 512319302 /nfs/dbraw/zinc/31/93/02/512319302.db2.gz HMNONCYQLPPMAW-KXBFYZLASA-N 1 0 369.469 2.605 20 5 FFBDRO C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000068312771 507183193 /nfs/dbraw/zinc/18/31/93/507183193.db2.gz WMWCVXLHAZDNDI-UHFFFAOYSA-N 1 0 353.325 2.670 20 5 FFBDRO O=C(CC[N@@H+]1CC[C@H](c2nc(C3CC3)no2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000375435102 512325600 /nfs/dbraw/zinc/32/56/00/512325600.db2.gz WXWIWAJAHLQZAE-ZDUSSCGKSA-N 1 0 371.397 2.673 20 5 FFBDRO C[NH+](C)[C@@H](CNC(=O)COc1cccc([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000047427204 507327986 /nfs/dbraw/zinc/32/79/86/507327986.db2.gz HYXHZVBANRQTIF-KRWDZBQOSA-N 1 0 361.373 2.532 20 5 FFBDRO C[C@@H](CNC(=O)NCCOc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC[C@H]1C ZINC000069066680 507395543 /nfs/dbraw/zinc/39/55/43/507395543.db2.gz BPVXPQAVXJYHPG-CABCVRRESA-N 1 0 364.446 2.536 20 5 FFBDRO NC(=O)c1ccc(NCc2cccc(C[NH+]3CCCC3)c2)c([N+](=O)[O-])c1 ZINC000025502800 507505709 /nfs/dbraw/zinc/50/57/09/507505709.db2.gz RNSPDFMRTKWCDZ-UHFFFAOYSA-N 1 0 354.410 2.902 20 5 FFBDRO CCCC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000060330694 507524510 /nfs/dbraw/zinc/52/45/10/507524510.db2.gz UVLPOCFGPHJDFM-KRWDZBQOSA-N 1 0 369.487 2.669 20 5 FFBDRO CCOC(=O)C1CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000026161611 507562868 /nfs/dbraw/zinc/56/28/68/507562868.db2.gz XMSFDDQKDBTKCB-UHFFFAOYSA-N 1 0 363.414 2.507 20 5 FFBDRO CC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CC1 ZINC000060793437 507578978 /nfs/dbraw/zinc/57/89/78/507578978.db2.gz DCXISKPJECBXCZ-UHFFFAOYSA-N 1 0 360.458 2.799 20 5 FFBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000049795029 507640863 /nfs/dbraw/zinc/64/08/63/507640863.db2.gz LALQNFMWGMKXCI-SFHVURJKSA-N 1 0 370.453 2.909 20 5 FFBDRO Cc1ccc(S(=O)(=O)NCCC[N@@H+](C)C2CCCCC2)cc1[N+](=O)[O-] ZINC000028049776 507706411 /nfs/dbraw/zinc/70/64/11/507706411.db2.gz HREXRKGPRJYEMP-UHFFFAOYSA-N 1 0 369.487 2.836 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCCC[N@H+]2CCCC[C@@H]2C)c1C ZINC000071808485 507717940 /nfs/dbraw/zinc/71/79/40/507717940.db2.gz VRXICQHTDYHPEG-AWEZNQCLSA-N 1 0 369.487 2.754 20 5 FFBDRO CC[NH+](CC)CCN(CC(C)C)S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000071894792 507723973 /nfs/dbraw/zinc/72/39/73/507723973.db2.gz VJBALZKTCYKPEI-UHFFFAOYSA-N 1 0 371.503 2.892 20 5 FFBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000063831357 507774445 /nfs/dbraw/zinc/77/44/45/507774445.db2.gz VQPLFRWZXGNCCV-BETUJISGSA-N 1 0 366.437 2.804 20 5 FFBDRO CC(C)[C@@H](CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000029622198 507784850 /nfs/dbraw/zinc/78/48/50/507784850.db2.gz NCRSKIGORALWQJ-GOSISDBHSA-N 1 0 373.457 3.000 20 5 FFBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000064345613 507791460 /nfs/dbraw/zinc/79/14/60/507791460.db2.gz GHUIVDKWOGZIQS-UHFFFAOYSA-N 1 0 362.430 2.561 20 5 FFBDRO CC(C)(C)S(=O)(=O)CC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000089628532 507852312 /nfs/dbraw/zinc/85/23/12/507852312.db2.gz JTIIRJHJVABZTD-HNNXBMFYSA-N 1 0 354.472 2.719 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@@H]3CCOC3)CC2)nc1-c1ccccc1 ZINC000090107305 507908994 /nfs/dbraw/zinc/90/89/94/507908994.db2.gz KZVCNPOCUXNKIF-INIZCTEOSA-N 1 0 368.437 2.815 20 5 FFBDRO CCO[C@@H]1C[C@H]([N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)C12CCCCC2 ZINC000090550704 507926899 /nfs/dbraw/zinc/92/68/99/507926899.db2.gz ZBNMUCQQFWEKKQ-DLBZAZTESA-N 1 0 363.458 2.816 20 5 FFBDRO CC(C)C[C@H](CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)[NH+](C)C ZINC000074136886 507991583 /nfs/dbraw/zinc/99/15/83/507991583.db2.gz VRNIIGWDZSVWRT-MRXNPFEDSA-N 1 0 362.474 2.901 20 5 FFBDRO CC(C)[N@H+](C)CC1CCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000079757878 507998861 /nfs/dbraw/zinc/99/88/61/507998861.db2.gz VKAQYCCOJZBQJB-UHFFFAOYSA-N 1 0 362.474 2.610 20 5 FFBDRO CC(C)(C(=O)Nc1cccc(CC[NH+]2CCCC2)c1)n1cc([N+](=O)[O-])cn1 ZINC000091788003 508012427 /nfs/dbraw/zinc/01/24/27/508012427.db2.gz QDNYMOQWBYHUGN-UHFFFAOYSA-N 1 0 371.441 2.803 20 5 FFBDRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000074325538 508012933 /nfs/dbraw/zinc/01/29/33/508012933.db2.gz ZPGNZLZOYAXUCQ-CQSZACIVSA-N 1 0 356.426 2.880 20 5 FFBDRO C[C@@H]1C[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2N)CC[N@@H+]1Cc1ccccc1 ZINC000079945114 508017659 /nfs/dbraw/zinc/01/76/59/508017659.db2.gz NHQZZPYMXFUOGZ-ZBFHGGJFSA-N 1 0 368.437 2.960 20 5 FFBDRO CC(C)CC[NH+]1CCC(CNC(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000079995848 508024516 /nfs/dbraw/zinc/02/45/16/508024516.db2.gz RXAYIOYEJLQALL-UHFFFAOYSA-N 1 0 362.474 2.881 20 5 FFBDRO CCCNC(=O)C[N@H+](CCC)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000092191970 508049465 /nfs/dbraw/zinc/04/94/65/508049465.db2.gz PZWZSVVTIDFFKU-UHFFFAOYSA-N 1 0 373.457 2.734 20 5 FFBDRO CN(c1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000074775071 508054170 /nfs/dbraw/zinc/05/41/70/508054170.db2.gz MMQQMEHXGKMFDR-KRWDZBQOSA-N 1 0 368.437 2.795 20 5 FFBDRO Cc1sc(C(=O)NCC2([NH+]3CCCCC3)CCOCC2)cc1[N+](=O)[O-] ZINC000111101910 508070880 /nfs/dbraw/zinc/07/08/80/508070880.db2.gz SXNDZRHZJRDLSP-UHFFFAOYSA-N 1 0 367.471 2.730 20 5 FFBDRO Cc1ccc(CN(CC[NH+](C)C)C(=O)NCCc2ccccc2[N+](=O)[O-])o1 ZINC000080491648 508078293 /nfs/dbraw/zinc/07/82/93/508078293.db2.gz XUVKRJOPROVYHN-UHFFFAOYSA-N 1 0 374.441 2.812 20 5 FFBDRO Cc1cc(NCc2ccccc2C[NH+]2CCC(O)CC2)ncc1[N+](=O)[O-] ZINC000080605946 508088279 /nfs/dbraw/zinc/08/82/79/508088279.db2.gz RVTFCOFXYSABMN-UHFFFAOYSA-N 1 0 356.426 2.867 20 5 FFBDRO C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000080718446 508097914 /nfs/dbraw/zinc/09/79/14/508097914.db2.gz VDOIUGSWLVUAPK-AGUYFDCRSA-N 1 0 351.834 2.922 20 5 FFBDRO COc1ccc(C[N@@H+]2CC[C@@H](CO)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000092764915 508100369 /nfs/dbraw/zinc/10/03/69/508100369.db2.gz HHUYBVRPIQOPNP-QGZVFWFLSA-N 1 0 372.421 2.997 20 5 FFBDRO CCOc1cc(N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)ccc1[N+](=O)[O-] ZINC000080788487 508103554 /nfs/dbraw/zinc/10/35/54/508103554.db2.gz JAOCFEXNMOGLOU-QGZVFWFLSA-N 1 0 362.474 2.600 20 5 FFBDRO O=C(NCCC[NH+]1CCCCCC1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000075510824 508112472 /nfs/dbraw/zinc/11/24/72/508112472.db2.gz INYQWYLFJXMYSD-UHFFFAOYSA-N 1 0 371.441 2.776 20 5 FFBDRO COCCOC[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000075953889 508146260 /nfs/dbraw/zinc/14/62/60/508146260.db2.gz AFUIPZWOOPQXQM-OAHLLOKOSA-N 1 0 352.431 2.867 20 5 FFBDRO CCOc1ccc(C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)cc1[N+](=O)[O-] ZINC000081289730 508155914 /nfs/dbraw/zinc/15/59/14/508155914.db2.gz HAWRPXOEFJOORS-INIZCTEOSA-N 1 0 361.442 2.988 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCSC(C)(C)C1 ZINC000083415231 508245333 /nfs/dbraw/zinc/24/53/33/508245333.db2.gz CTMZIOWRJPSHFI-UHFFFAOYSA-N 1 0 353.444 2.759 20 5 FFBDRO COc1ccc(C(=O)N(CC[NH+](C)C)Cc2cccs2)cc1[N+](=O)[O-] ZINC000084250250 508271422 /nfs/dbraw/zinc/27/14/22/508271422.db2.gz VYQAXQOWJMGZPS-UHFFFAOYSA-N 1 0 363.439 2.869 20 5 FFBDRO C[C@@H]1C[N@@H+](CCCCNC(=O)CCc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000087496381 508354053 /nfs/dbraw/zinc/35/40/53/508354053.db2.gz JBERROLAONFJBL-IYBDPMFKSA-N 1 0 363.458 2.533 20 5 FFBDRO C[NH+](C)CCN(Cc1ccco1)C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000088229285 508358732 /nfs/dbraw/zinc/35/87/32/508358732.db2.gz XZCFWUILVHZTCC-UHFFFAOYSA-N 1 0 370.409 2.733 20 5 FFBDRO C[C@H]1C[C@@H](Nc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000133527211 508412084 /nfs/dbraw/zinc/41/20/84/508412084.db2.gz LZIJCKFZHPBJIU-GXTWGEPZSA-N 1 0 369.425 2.596 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)CCCNc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000127319335 508431901 /nfs/dbraw/zinc/43/19/01/508431901.db2.gz ZINRTXZBPSFAJB-CRAIPNDOSA-N 1 0 362.474 2.976 20 5 FFBDRO C[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)CC1 ZINC000127402292 508444997 /nfs/dbraw/zinc/44/49/97/508444997.db2.gz OOASLWPSOFNHEH-UHFFFAOYSA-N 1 0 368.437 2.985 20 5 FFBDRO CC[NH+](CC)Cc1cccc(CNc2ncc([N+](=O)[O-])cc2C(N)=O)c1 ZINC000122025887 508468727 /nfs/dbraw/zinc/46/87/27/508468727.db2.gz XUOICNHBCAKPNZ-UHFFFAOYSA-N 1 0 357.414 2.543 20 5 FFBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157369170 508557623 /nfs/dbraw/zinc/55/76/23/508557623.db2.gz NCUHENHJUDJXQU-RDJZCZTQSA-N 1 0 360.458 2.872 20 5 FFBDRO Cc1sc(C(=O)NCc2ccccc2OCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000122717615 508577853 /nfs/dbraw/zinc/57/78/53/508577853.db2.gz HOIOAPNAMZQTMY-UHFFFAOYSA-N 1 0 363.439 2.835 20 5 FFBDRO CC[C@H](O)[C@H]1CCCC[N@@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000117341321 508593794 /nfs/dbraw/zinc/59/37/94/508593794.db2.gz LOERFPSHDCWJEX-ZBFHGGJFSA-N 1 0 363.414 2.518 20 5 FFBDRO COc1ccccc1[C@@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000157949342 508637370 /nfs/dbraw/zinc/63/73/70/508637370.db2.gz BTWZYBHJQSBTGR-CQSZACIVSA-N 1 0 355.394 2.692 20 5 FFBDRO CC[NH+](CC)CCN(CCOC)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000153755175 508641751 /nfs/dbraw/zinc/64/17/51/508641751.db2.gz UPNKJCMMYWIYIX-UHFFFAOYSA-N 1 0 352.435 2.725 20 5 FFBDRO CCOc1ccc([C@@H](C)[NH2+]CC2(N(C)C)CCOCC2)cc1[N+](=O)[O-] ZINC000153791606 508650268 /nfs/dbraw/zinc/65/02/68/508650268.db2.gz HAINLLYLQYPQJE-CQSZACIVSA-N 1 0 351.447 2.755 20 5 FFBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000123238603 508657428 /nfs/dbraw/zinc/65/74/28/508657428.db2.gz SUEZHBREQWWZIU-OAHLLOKOSA-N 1 0 371.441 2.584 20 5 FFBDRO C[C@@H](CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)[N@@H+]1CCC[C@@H](C)C1 ZINC000135996989 508664247 /nfs/dbraw/zinc/66/42/47/508664247.db2.gz WCTKIDTYRPHQQP-CABCVRRESA-N 1 0 371.441 2.631 20 5 FFBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H](C)CN2CCOCC2)cc1[N+](=O)[O-] ZINC000153902267 508673526 /nfs/dbraw/zinc/67/35/26/508673526.db2.gz FLSQBSSYHZZVNM-GJZGRUSLSA-N 1 0 351.447 2.612 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2noc(CN3CCC[C@@H]([NH+]4CCCC4)C3)n2)cc1 ZINC000118828176 508679861 /nfs/dbraw/zinc/67/98/61/508679861.db2.gz PIWAHHFQAREXRL-MRXNPFEDSA-N 1 0 357.414 2.705 20 5 FFBDRO C[NH+](C)CC1CCC(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC1 ZINC000129561025 508740445 /nfs/dbraw/zinc/74/04/45/508740445.db2.gz NYRWJVVDNGCUBO-UHFFFAOYSA-N 1 0 371.441 2.631 20 5 FFBDRO CCC[NH2+]CCNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000154229232 508741264 /nfs/dbraw/zinc/74/12/64/508741264.db2.gz NMIIYIQOGFTXQE-UHFFFAOYSA-N 1 0 356.426 2.936 20 5 FFBDRO CCCc1n[nH]c(C(=O)N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000137507079 508758731 /nfs/dbraw/zinc/75/87/31/508758731.db2.gz QWMWUBHEIMJBLQ-ZFWWWQNUSA-N 1 0 371.441 2.663 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000159061761 508787259 /nfs/dbraw/zinc/78/72/59/508787259.db2.gz NFWAHCBLGPBSDD-ZDUSSCGKSA-N 1 0 357.414 2.909 20 5 FFBDRO CC[N@H+](C)Cc1cccc(CNC(=O)COc2ccccc2[N+](=O)[O-])c1 ZINC000141721198 508817848 /nfs/dbraw/zinc/81/78/48/508817848.db2.gz LPEWRNIRZDHQQR-UHFFFAOYSA-N 1 0 357.410 2.742 20 5 FFBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000150785366 508892476 /nfs/dbraw/zinc/89/24/76/508892476.db2.gz PTBKXDVMRXAGLE-MRXNPFEDSA-N 1 0 361.442 2.841 20 5 FFBDRO O=C(CN1CC[C@@H](C[NH+]2CCCC2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000150843919 508906060 /nfs/dbraw/zinc/90/60/60/508906060.db2.gz XLDOQVYNXRGVMT-ZDUSSCGKSA-N 1 0 366.849 2.604 20 5 FFBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000120119485 508932306 /nfs/dbraw/zinc/93/23/06/508932306.db2.gz XAMSTMIWLQBZBL-KXBFYZLASA-N 1 0 353.422 2.774 20 5 FFBDRO CN(c1ccccc1)c1ccc(CNC[C@](C)(O)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000131456807 508934300 /nfs/dbraw/zinc/93/43/00/508934300.db2.gz QSXCCDAUCIDPIV-FQEVSTJZSA-N 1 0 372.469 2.765 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000160146671 508945356 /nfs/dbraw/zinc/94/53/56/508945356.db2.gz IKCSURQFYQRVDB-OAHLLOKOSA-N 1 0 367.471 2.542 20 5 FFBDRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000160160406 508947805 /nfs/dbraw/zinc/94/78/05/508947805.db2.gz RIWAZLZFXCHCOD-OAHLLOKOSA-N 1 0 367.471 2.542 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)NC3CCC([NH3+])CC3)cc2[N+](=O)[O-])C1 ZINC000131717829 508963354 /nfs/dbraw/zinc/96/33/54/508963354.db2.gz ZWELIFLULGSMOK-IUDNXUCKSA-N 1 0 360.458 2.831 20 5 FFBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000125307606 508963474 /nfs/dbraw/zinc/96/34/74/508963474.db2.gz VITWQEXIQBCVHF-HUUCEWRRSA-N 1 0 360.458 2.783 20 5 FFBDRO Cc1c(NC(=O)CCN2CCC[C@H]2C(=O)OC(C)C)cccc1[N+](=O)[O-] ZINC000125405473 508978005 /nfs/dbraw/zinc/97/80/05/508978005.db2.gz QOEUPOVYGDYECB-INIZCTEOSA-N 1 0 363.414 2.648 20 5 FFBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000132320397 509014770 /nfs/dbraw/zinc/01/47/70/509014770.db2.gz XMZNIQXGMGRPNN-GFCCVEGCSA-N 1 0 367.471 2.546 20 5 FFBDRO C[C@]1(CNc2ncc([N+](=O)[O-])cc2C(N)=O)CCC[N@@H+]1Cc1ccccc1 ZINC000160795033 509034078 /nfs/dbraw/zinc/03/40/78/509034078.db2.gz ITSUQWHOMYRWGE-LJQANCHMSA-N 1 0 369.425 2.555 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1SC ZINC000120649258 509038254 /nfs/dbraw/zinc/03/82/54/509038254.db2.gz NZLISILUGQDXEJ-YPMHNXCESA-N 1 0 367.471 2.738 20 5 FFBDRO CCC[C@@H]([NH2+]C1CCN(S(=O)(=O)CC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000120762472 509060358 /nfs/dbraw/zinc/06/03/58/509060358.db2.gz JGZXBCKIYAQVFF-QGZVFWFLSA-N 1 0 369.487 2.840 20 5 FFBDRO CC(C)(C)[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1nc(-c2nc[nH]n2)no1 ZINC000121007442 509108303 /nfs/dbraw/zinc/10/83/03/509108303.db2.gz HFIHBYINJGJBDD-ZDUSSCGKSA-N 1 0 371.401 2.682 20 5 FFBDRO CC1CC[NH+](CCNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000162104323 509172441 /nfs/dbraw/zinc/17/24/41/509172441.db2.gz DEJLKFISYAIWTQ-UHFFFAOYSA-N 1 0 370.247 2.819 20 5 FFBDRO Cc1cccc(C(=O)N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)c1[N+](=O)[O-] ZINC000162235219 509181286 /nfs/dbraw/zinc/18/12/86/509181286.db2.gz UCIFVFIWLWKTOH-IRXDYDNUSA-N 1 0 374.485 2.534 20 5 FFBDRO C[C@@H]1C[N@@H+](CC2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)C[C@H](C)O1 ZINC000263846379 509182844 /nfs/dbraw/zinc/18/28/44/509182844.db2.gz XIIANHNCOMBFEI-GASCZTMLSA-N 1 0 361.442 2.556 20 5 FFBDRO O=C(CC[NH+]1CCC(O)(c2ccccc2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000185492421 509203605 /nfs/dbraw/zinc/20/36/05/509203605.db2.gz MRJMZRVSSLSGBJ-UHFFFAOYSA-N 1 0 369.421 2.907 20 5 FFBDRO NC(=O)c1ccc(NCc2ccccc2C[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000266816517 509208730 /nfs/dbraw/zinc/20/87/30/509208730.db2.gz WLYOBRNWUHZFPX-UHFFFAOYSA-N 1 0 354.410 2.902 20 5 FFBDRO O=C1CCc2cc([N+](=O)[O-])c(N3CC[C@H](C[NH+]4CCCCC4)C3)cc2N1 ZINC000172774788 509227693 /nfs/dbraw/zinc/22/76/93/509227693.db2.gz KAAMZFNCVHQHMD-CQSZACIVSA-N 1 0 358.442 2.792 20 5 FFBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)CC[C@@H]21 ZINC000182476634 509259124 /nfs/dbraw/zinc/25/91/24/509259124.db2.gz WDZDIJRSIPTQOP-FZMZJTMJSA-N 1 0 369.368 2.753 20 5 FFBDRO Cc1c(Br)cc(C(=O)NCCCn2ccnc2)cc1[N+](=O)[O-] ZINC000162671616 509277472 /nfs/dbraw/zinc/27/74/72/509277472.db2.gz LRHWFMIIHNXKMO-UHFFFAOYSA-N 1 0 367.203 2.682 20 5 FFBDRO CCCC[C@@H](C[NH3+])NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000162809116 509306420 /nfs/dbraw/zinc/30/64/20/509306420.db2.gz QKRVUUUFQGDZLC-NSHDSACASA-N 1 0 358.236 2.534 20 5 FFBDRO Cc1nn(CCc2nc(-c3ccc(C[NH+](C)C)cc3)no2)c(C)c1[N+](=O)[O-] ZINC000267018436 509309919 /nfs/dbraw/zinc/30/99/19/509309919.db2.gz BMGWQIZFYVSCBP-UHFFFAOYSA-N 1 0 370.413 2.762 20 5 FFBDRO Cc1csc(Sc2ccc(C(=O)N(C)[C@@H](C)C[NH3+])cc2[N+](=O)[O-])n1 ZINC000179192551 509313410 /nfs/dbraw/zinc/31/34/10/509313410.db2.gz IRVSAFUSVFQWCM-JTQLQIEISA-N 1 0 366.468 2.930 20 5 FFBDRO Nc1c(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000176188501 509366612 /nfs/dbraw/zinc/36/66/12/509366612.db2.gz QDUUQJQJDTWYRF-UHFFFAOYSA-N 1 0 368.437 2.819 20 5 FFBDRO C[NH+](C)CCOc1ccc(CCNC(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000264229202 509397623 /nfs/dbraw/zinc/39/76/23/509397623.db2.gz LYAYVGOVLLKIPT-UHFFFAOYSA-N 1 0 363.439 2.569 20 5 FFBDRO O=C1CCCN1C[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000179557946 509510586 /nfs/dbraw/zinc/51/05/86/509510586.db2.gz IRIZWMSNVHNZEM-RTBURBONSA-N 1 0 369.421 2.582 20 5 FFBDRO CC[NH+](CC)CCNC(=O)c1ccc(Oc2ncc([N+](=O)[O-])s2)cc1 ZINC000192456480 509526076 /nfs/dbraw/zinc/52/60/76/509526076.db2.gz AALFDSKGRGGBCM-UHFFFAOYSA-N 1 0 364.427 2.915 20 5 FFBDRO O=[N+]([O-])c1cc(CN2CCC(CCC[NH+]3CCOCC3)CC2)cs1 ZINC000182979556 509528414 /nfs/dbraw/zinc/52/84/14/509528414.db2.gz PQMJPMJOALFWMH-UHFFFAOYSA-N 1 0 353.488 2.981 20 5 FFBDRO Nc1c(C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)cccc1[N+](=O)[O-] ZINC000176468021 509529362 /nfs/dbraw/zinc/52/93/62/509529362.db2.gz HQWLIOAUBRHFRY-OAHLLOKOSA-N 1 0 360.458 2.905 20 5 FFBDRO Cc1c(C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000264445394 509532015 /nfs/dbraw/zinc/53/20/15/509532015.db2.gz CFBJTYYZJFQUFM-ZDUSSCGKSA-N 1 0 362.386 2.512 20 5 FFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000248950488 509552733 /nfs/dbraw/zinc/55/27/33/509552733.db2.gz ZTLHAKWTCNYICR-CRAIPNDOSA-N 1 0 368.437 2.643 20 5 FFBDRO C[NH2+]C1CCN(C(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)CC1 ZINC000237147781 509581681 /nfs/dbraw/zinc/58/16/81/509581681.db2.gz ZQPYVVXHECFQNC-GASCZTMLSA-N 1 0 374.485 2.901 20 5 FFBDRO CC[C@@H]1CN(C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)CC[N@@H+]1C[C@H](C)O ZINC000249063842 509588798 /nfs/dbraw/zinc/58/87/98/509588798.db2.gz JYMLAMBSZSCVLZ-LSDHHAIUSA-N 1 0 364.446 2.521 20 5 FFBDRO COc1cccc(COC[C@H](O)C[N@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000192707256 509606045 /nfs/dbraw/zinc/60/60/45/509606045.db2.gz GDCVIDAGSXVTIP-QGZVFWFLSA-N 1 0 360.410 2.613 20 5 FFBDRO C[NH2+]C[C@@H]1CCCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000237271745 509607633 /nfs/dbraw/zinc/60/76/33/509607633.db2.gz MAJDJLOIRHWKEZ-INIZCTEOSA-N 1 0 363.461 2.613 20 5 FFBDRO C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])s1)[C@@H](c1ccccc1)[NH+](C)C ZINC000192865715 509677155 /nfs/dbraw/zinc/67/71/55/509677155.db2.gz FYYQEGNUTUDYII-NHYWBVRUSA-N 1 0 369.468 2.626 20 5 FFBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+]CCCN2CCOCC2)c2ccccc2)c1 ZINC000179964867 509690746 /nfs/dbraw/zinc/69/07/46/509690746.db2.gz HEDCJZZQQHULBY-FQEVSTJZSA-N 1 0 355.438 2.996 20 5 FFBDRO CC[C@]1(CO)CCC[N@@H+]1Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000189689227 509704033 /nfs/dbraw/zinc/70/40/33/509704033.db2.gz HFVQFQWJZWGBNK-MRXNPFEDSA-N 1 0 360.357 2.942 20 5 FFBDRO COc1cc(C[N@@H+]2CCCC[C@H]2[C@@H](C)O)c([N+](=O)[O-])cc1OCC(F)F ZINC000180058742 509729493 /nfs/dbraw/zinc/72/94/93/509729493.db2.gz JDTOHROUYBIIBZ-YPMHNXCESA-N 1 0 374.384 2.983 20 5 FFBDRO C[C@@H]1C[C@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000268045688 509733656 /nfs/dbraw/zinc/73/36/56/509733656.db2.gz ZKIQKUSCJINTAH-KOLCDFICSA-N 1 0 368.231 2.712 20 5 FFBDRO Cc1cc(S(=O)(=O)NC2CC[NH+](C3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000176938010 509776854 /nfs/dbraw/zinc/77/68/54/509776854.db2.gz NDZBWBBBOQHBAZ-UHFFFAOYSA-N 1 0 367.471 2.589 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000183419367 509777344 /nfs/dbraw/zinc/77/73/44/509777344.db2.gz IQDJHURTVTUIHQ-ROUUACIJSA-N 1 0 356.422 2.945 20 5 FFBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000238022137 509801499 /nfs/dbraw/zinc/80/14/99/509801499.db2.gz PAYZCYIZRNFZMS-LJQANCHMSA-N 1 0 353.422 2.748 20 5 FFBDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183583669 509871347 /nfs/dbraw/zinc/87/13/47/509871347.db2.gz ZVTMLWYAYCCLNY-INIZCTEOSA-N 1 0 369.425 2.976 20 5 FFBDRO C[C@@H]([NH2+]CC(=O)Nc1ccc(C(=O)N(C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000180397283 509902963 /nfs/dbraw/zinc/90/29/63/509902963.db2.gz MDHMVFCUHOOKPI-CYBMUJFWSA-N 1 0 370.409 2.586 20 5 FFBDRO C[C@H]1C[C@H](NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C[N@@H+]1C1CC1 ZINC000177154076 509905459 /nfs/dbraw/zinc/90/54/59/509905459.db2.gz OPHPKQDLLZYTGE-HOCLYGCPSA-N 1 0 372.469 2.553 20 5 FFBDRO COc1cccc(COC[C@@H](O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000180419993 509916984 /nfs/dbraw/zinc/91/69/84/509916984.db2.gz YCCADIWHYKVOKR-KDOFPFPSSA-N 1 0 360.410 2.832 20 5 FFBDRO COC(=O)c1cccc(NC(=O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000180417560 509917188 /nfs/dbraw/zinc/91/71/88/509917188.db2.gz LZFBJSRSRBEDKS-GFCCVEGCSA-N 1 0 357.366 2.671 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000174215404 510007645 /nfs/dbraw/zinc/00/76/45/510007645.db2.gz BVXBWGRBPRJSNE-WBVHZDCISA-N 1 0 360.458 2.789 20 5 FFBDRO C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)[C@H](C[NH3+])C1 ZINC000261648898 510013668 /nfs/dbraw/zinc/01/36/68/510013668.db2.gz BERBLIANZKRPAS-ONGXEEELSA-N 1 0 356.220 2.557 20 5 FFBDRO CC[NH+](CC)[C@H](CNC(=O)c1c(N)cccc1[N+](=O)[O-])c1ccccc1 ZINC000180620093 510018562 /nfs/dbraw/zinc/01/85/62/510018562.db2.gz GAMDWUGPGQYKIT-QGZVFWFLSA-N 1 0 356.426 2.990 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000261686475 510026993 /nfs/dbraw/zinc/02/69/93/510026993.db2.gz ISXVCQPHFXHQBC-ZWKOTPCHSA-N 1 0 368.437 2.659 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000193814099 510083972 /nfs/dbraw/zinc/08/39/72/510083972.db2.gz SAVHHTCFTAPTER-MRXNPFEDSA-N 1 0 369.421 2.855 20 5 FFBDRO Cn1cc(-c2nc(C3([NH3+])CCCC3)no2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000261870092 510095097 /nfs/dbraw/zinc/09/50/97/510095097.db2.gz VCXXTJRDDFXMAY-UHFFFAOYSA-N 1 0 354.370 2.773 20 5 FFBDRO C[C@H](NC(=O)COc1cccc([N+](=O)[O-])c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000187182959 510107766 /nfs/dbraw/zinc/10/77/66/510107766.db2.gz ADTOCUKTFXGDMN-LIRRHRJNSA-N 1 0 357.410 2.781 20 5 FFBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000245731908 510113302 /nfs/dbraw/zinc/11/33/02/510113302.db2.gz YXIPDVNOKWTSOC-GJZGRUSLSA-N 1 0 371.441 2.631 20 5 FFBDRO C[C@H]1CCCN(c2ccc(C(=O)N3CC[C@](C)(C[NH3+])C3)cc2[N+](=O)[O-])C1 ZINC000261957568 510129305 /nfs/dbraw/zinc/12/93/05/510129305.db2.gz KQFCXAGQEYYEHL-IFXJQAMLSA-N 1 0 360.458 2.642 20 5 FFBDRO C[C@H](Nc1ccc(C(=O)NC[C@H]([NH3+])C2CC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000261961882 510130718 /nfs/dbraw/zinc/13/07/18/510130718.db2.gz RZCLGWXASHWGLV-WFASDCNBSA-N 1 0 369.425 2.630 20 5 FFBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])C1 ZINC000174513359 510151275 /nfs/dbraw/zinc/15/12/75/510151275.db2.gz UVTHSBHAPCDMCB-LBPRGKRZSA-N 1 0 367.471 2.739 20 5 FFBDRO Cc1nn(C)c(C(=O)N[C@@H](C[N@H+](C)Cc2ccccc2)C(C)C)c1[N+](=O)[O-] ZINC000187322020 510192572 /nfs/dbraw/zinc/19/25/72/510192572.db2.gz PVTCVMMPFWPCPE-INIZCTEOSA-N 1 0 373.457 2.523 20 5 FFBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)cs1 ZINC000265760791 510215605 /nfs/dbraw/zinc/21/56/05/510215605.db2.gz JUECEDWMOBRPBH-DLBZAZTESA-N 1 0 361.467 2.629 20 5 FFBDRO C[C@@H]1C[C@@H]1[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000245940697 510220219 /nfs/dbraw/zinc/22/02/19/510220219.db2.gz UUZWDYLDPLRWBH-KLWIRTJPSA-N 1 0 364.833 2.793 20 5 FFBDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000184259306 510224557 /nfs/dbraw/zinc/22/45/57/510224557.db2.gz BZPRIWUVWVLTRB-CQSZACIVSA-N 1 0 369.487 2.525 20 5 FFBDRO CCC[N@H+](CC)CCNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000174656442 510234756 /nfs/dbraw/zinc/23/47/56/510234756.db2.gz PLTKNPCMPAICDA-UHFFFAOYSA-N 1 0 362.474 2.659 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)[C@@H](C)C1 ZINC000245977299 510235163 /nfs/dbraw/zinc/23/51/63/510235163.db2.gz GLSJGDKHDNTIKG-SWLSCSKDSA-N 1 0 350.419 2.797 20 5 FFBDRO C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(C(F)(F)F)c1 ZINC000174661869 510236369 /nfs/dbraw/zinc/23/63/69/510236369.db2.gz FBLCOCZNEHSMJW-HZMBPMFUSA-N 1 0 358.320 2.522 20 5 FFBDRO CN(CCOc1ccccc1[N+](=O)[O-])Cc1ccc(S(C)(=O)=O)cc1 ZINC000265817748 510244847 /nfs/dbraw/zinc/24/48/47/510244847.db2.gz AATVKKSTZCEYPG-UHFFFAOYSA-N 1 0 364.423 2.509 20 5 FFBDRO COc1ccc([C@@H]2CCCCC[N@@H+]2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000174709239 510263383 /nfs/dbraw/zinc/26/33/83/510263383.db2.gz VNMKFJPFVAOCNP-HKUYNNGSSA-N 1 0 374.441 2.778 20 5 FFBDRO CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc3c(c2)C[NH2+]CC3)cc1OC ZINC000269192144 510282984 /nfs/dbraw/zinc/28/29/84/510282984.db2.gz HRGBGKUHHRBRBJ-UHFFFAOYSA-N 1 0 371.393 2.900 20 5 FFBDRO CC[C@@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1nc(C)cs1 ZINC000184443666 510328554 /nfs/dbraw/zinc/32/85/54/510328554.db2.gz GTKJGQVESGUISP-CHWSQXEVSA-N 1 0 351.428 2.840 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC(CC[NH+](C)C)CC2)c1C ZINC000194378720 510335623 /nfs/dbraw/zinc/33/56/23/510335623.db2.gz YBYYGONWBJJHGG-UHFFFAOYSA-N 1 0 369.487 2.564 20 5 FFBDRO CC1CCN(c2ccc(C(=O)NCC3(C)CC[NH2+]CC3)cc2[N+](=O)[O-])CC1 ZINC000181281558 510336586 /nfs/dbraw/zinc/33/65/86/510336586.db2.gz WVZMJNYZMYIHFR-UHFFFAOYSA-N 1 0 374.485 2.951 20 5 FFBDRO CC[NH+](CC)[C@H](CNC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-])c1ccco1 ZINC000269330235 510344604 /nfs/dbraw/zinc/34/46/04/510344604.db2.gz FBFJEARDRGIGPX-GFCCVEGCSA-N 1 0 363.418 2.847 20 5 FFBDRO CN(C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC000262635147 510345584 /nfs/dbraw/zinc/34/55/84/510345584.db2.gz PEJIIYBYIXMFDD-INIZCTEOSA-N 1 0 354.410 2.641 20 5 FFBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000246212814 510367310 /nfs/dbraw/zinc/36/73/10/510367310.db2.gz NXQKHHPYRQLGOP-HIFRSBDPSA-N 1 0 371.224 2.688 20 5 FFBDRO Cc1ccc([C@H](C)NC(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)cc1[N+](=O)[O-] ZINC000262702194 510375659 /nfs/dbraw/zinc/37/56/59/510375659.db2.gz CLWINDLOGWMDOR-DZGCQCFKSA-N 1 0 357.414 2.515 20 5 FFBDRO O=C(C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)NCCc1ccccc1 ZINC000181397742 510391009 /nfs/dbraw/zinc/39/10/09/510391009.db2.gz BCEFOCKWLHQFGS-IBGZPJMESA-N 1 0 367.449 2.864 20 5 FFBDRO CS(=O)(=O)c1cc([N+](=O)[O-])c(NCCC[NH2+]C2CCCCC2)s1 ZINC000181449494 510414335 /nfs/dbraw/zinc/41/43/35/510414335.db2.gz NDCMZZCDXIAUPJ-UHFFFAOYSA-N 1 0 361.489 2.784 20 5 FFBDRO CC(C)c1ccc(C(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)cc1[N+](=O)[O-] ZINC000190988641 510453862 /nfs/dbraw/zinc/45/38/62/510453862.db2.gz NDRFLMJSXHGZRL-CQSZACIVSA-N 1 0 363.458 2.635 20 5 FFBDRO CC1CC[NH+](C[C@H]2CCCN(C(=O)c3cccc([N+](=O)[O-])c3N)C2)CC1 ZINC000178183354 510476033 /nfs/dbraw/zinc/47/60/33/510476033.db2.gz JEJMENFTIPAJEF-OAHLLOKOSA-N 1 0 360.458 2.761 20 5 FFBDRO COc1cc(C[N@@H+]2CCC[C@@H](Cc3nccn3C)C2)c([N+](=O)[O-])cc1OC ZINC000184731717 510489842 /nfs/dbraw/zinc/48/98/42/510489842.db2.gz CMSASHSHISKQKJ-AWEZNQCLSA-N 1 0 374.441 2.800 20 5 FFBDRO CC(C)(C)[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1F ZINC000181631291 510511424 /nfs/dbraw/zinc/51/14/24/510511424.db2.gz RAZQFVTUGNOUMO-BBRMVZONSA-N 1 0 368.384 2.807 20 5 FFBDRO COc1cc(C[NH2+]C[C@@H](C)OC)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000191149251 510524385 /nfs/dbraw/zinc/52/43/85/510524385.db2.gz MUKUAYGIVHHASK-SECBINFHSA-N 1 0 352.309 2.669 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181679736 510536038 /nfs/dbraw/zinc/53/60/38/510536038.db2.gz REVOTNQRWSFJCU-ZIAGYGMSSA-N 1 0 361.442 2.986 20 5 FFBDRO C[C@H](NC(=O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181680532 510537930 /nfs/dbraw/zinc/53/79/30/510537930.db2.gz MPPLLRGRYPPENR-LSDHHAIUSA-N 1 0 361.442 2.743 20 5 FFBDRO CC(C)[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000266425638 510579177 /nfs/dbraw/zinc/57/91/77/510579177.db2.gz JPLFJBATUXZQRO-HZPDHXFCSA-N 1 0 352.822 2.793 20 5 FFBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000181775844 510586143 /nfs/dbraw/zinc/58/61/43/510586143.db2.gz JSCIYEDBWYWFGM-LBPRGKRZSA-N 1 0 357.357 2.800 20 5 FFBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)c2c(c1)COCO2 ZINC000269994376 510633124 /nfs/dbraw/zinc/63/31/24/510633124.db2.gz PXOKYTYGFFDDKX-KBAYOESNSA-N 1 0 360.410 2.899 20 5 FFBDRO CCN(CCC[NH+]1CCCC1)S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000188259461 510673782 /nfs/dbraw/zinc/67/37/82/510673782.db2.gz JUUYDQHVZLQSAT-UHFFFAOYSA-N 1 0 369.487 2.708 20 5 FFBDRO CN(Cc1csc([N+](=O)[O-])c1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188322945 510709002 /nfs/dbraw/zinc/70/90/02/510709002.db2.gz DFAKYJLRNJINMY-GOSISDBHSA-N 1 0 361.467 2.725 20 5 FFBDRO O=[N+]([O-])c1cccc(OCC[NH2+][C@H](CN2CCOCC2)c2ccccc2)c1 ZINC000182135942 510774917 /nfs/dbraw/zinc/77/49/17/510774917.db2.gz KXMIOYFDROTNCT-HXUWFJFHSA-N 1 0 371.437 2.637 20 5 FFBDRO CC[C@](C)([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1nccs1 ZINC000182184059 510800378 /nfs/dbraw/zinc/80/03/78/510800378.db2.gz KVVFLQQPWLCMTH-WBMJQRKESA-N 1 0 351.428 2.706 20 5 FFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Nc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000185422052 510840920 /nfs/dbraw/zinc/84/09/20/510840920.db2.gz ZDBBRSPCMYJARD-DYVFJYSZSA-N 1 0 354.410 2.626 20 5 FFBDRO CCc1ccc([C@@H]2C[C@H](C)CC[N@@H+]2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)o1 ZINC000247531757 510864751 /nfs/dbraw/zinc/86/47/51/510864751.db2.gz OGSLSUSBVGTMMU-UNEWFSDZSA-N 1 0 362.430 2.781 20 5 FFBDRO O=[N+]([O-])c1ccc(OCCC[NH+]2CCC(c3nnc4n3CCC4)CC2)cc1 ZINC000360305208 510893786 /nfs/dbraw/zinc/89/37/86/510893786.db2.gz DVMBOMMLDQRZSA-UHFFFAOYSA-N 1 0 371.441 2.781 20 5 FFBDRO Cc1cccc(C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000297314317 510899506 /nfs/dbraw/zinc/89/95/06/510899506.db2.gz WIVKVVWSWGFSNR-RDJZCZTQSA-N 1 0 357.385 2.999 20 5 FFBDRO C[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@]2(CCOC2)O1 ZINC000293946758 510907348 /nfs/dbraw/zinc/90/73/48/510907348.db2.gz BLYBYQYTJIISQL-ABAIWWIYSA-N 1 0 360.332 2.993 20 5 FFBDRO CO[C@H](C)CN(C)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000285451494 510911467 /nfs/dbraw/zinc/91/14/67/510911467.db2.gz ABFOPFLQVLZHBR-LLVKDONJSA-N 1 0 364.427 2.624 20 5 FFBDRO COCC[N@H+](C)CCCNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000275733806 510912744 /nfs/dbraw/zinc/91/27/44/510912744.db2.gz WCOXJFKLWMJHKG-UHFFFAOYSA-N 1 0 367.449 2.792 20 5 FFBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000285568311 510960445 /nfs/dbraw/zinc/96/04/45/510960445.db2.gz NPORACAFCXIRJX-BBRMVZONSA-N 1 0 357.414 2.703 20 5 FFBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000285568315 510960631 /nfs/dbraw/zinc/96/06/31/510960631.db2.gz NPORACAFCXIRJX-CZUORRHYSA-N 1 0 357.414 2.703 20 5 FFBDRO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)cc1 ZINC000277737116 510970560 /nfs/dbraw/zinc/97/05/60/510970560.db2.gz KLKWETBLMHHZSK-SWLSCSKDSA-N 1 0 362.348 2.999 20 5 FFBDRO COc1cc(C(=O)NCc2ccccc2C[NH+](C)C)c([N+](=O)[O-])cc1F ZINC000294362347 511039291 /nfs/dbraw/zinc/03/92/91/511039291.db2.gz JVEKSWCENUNDNN-UHFFFAOYSA-N 1 0 361.373 2.734 20 5 FFBDRO COC(=O)COc1ccc(C[N@H+](C)Cc2ccc([N+](=O)[O-])c(F)c2)cc1 ZINC000282611054 511045313 /nfs/dbraw/zinc/04/53/13/511045313.db2.gz YURRNUVZUBEMKL-UHFFFAOYSA-N 1 0 362.357 2.918 20 5 FFBDRO COCCc1ccc(OC[C@H](O)C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000294397223 511050878 /nfs/dbraw/zinc/05/08/78/511050878.db2.gz CIDCMGWHYRFSQH-NVXWUHKLSA-N 1 0 374.437 2.874 20 5 FFBDRO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000361581067 511069719 /nfs/dbraw/zinc/06/97/19/511069719.db2.gz GRXUSNQNFAUJAI-KRWDZBQOSA-N 1 0 372.469 2.895 20 5 FFBDRO COc1cc(C[NH2+][C@@H]2CCO[C@@H]2C2CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000364766560 511070346 /nfs/dbraw/zinc/07/03/46/511070346.db2.gz BHLBGZOIOTWWHW-IAQYHMDHSA-N 1 0 358.341 2.862 20 5 FFBDRO COc1cc(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000294596790 511115186 /nfs/dbraw/zinc/11/51/86/511115186.db2.gz USMIWNPTJFFRPA-NWDGAFQWSA-N 1 0 353.394 2.593 20 5 FFBDRO CC(C)(CCC(=O)N1CCC[N@H+](CCCc2ccccc2)CC1)[N+](=O)[O-] ZINC000294633640 511126902 /nfs/dbraw/zinc/12/69/02/511126902.db2.gz SLEJLTOSZGXRRY-UHFFFAOYSA-N 1 0 361.486 2.989 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCC[C@H]1C[C@@H](C)O ZINC000279726325 511191087 /nfs/dbraw/zinc/19/10/87/511191087.db2.gz JEINTXLOAHJMIE-KGLIPLIRSA-N 1 0 365.430 2.557 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCC[C@@H]1C[C@H](C)O ZINC000279726326 511191238 /nfs/dbraw/zinc/19/12/38/511191238.db2.gz JEINTXLOAHJMIE-UONOGXRCSA-N 1 0 365.430 2.557 20 5 FFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](CO)c1cnn(C)c1 ZINC000271426858 511201160 /nfs/dbraw/zinc/20/11/60/511201160.db2.gz CRBLUPUHXXYTOA-ZIAGYGMSSA-N 1 0 350.444 2.522 20 5 FFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CO)c1cnn(C)c1 ZINC000271426852 511201346 /nfs/dbraw/zinc/20/13/46/511201346.db2.gz CRBLUPUHXXYTOA-KGLIPLIRSA-N 1 0 350.444 2.522 20 5 FFBDRO COC(=O)[C@@H]1CCO[C@H]1C1CC[NH+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000298275620 511233463 /nfs/dbraw/zinc/23/34/63/511233463.db2.gz ODHRDIQBSYDCSP-QBIMZIAESA-N 1 0 362.426 2.946 20 5 FFBDRO C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C[N@@H+]1C1CC1 ZINC000295059351 511267908 /nfs/dbraw/zinc/26/79/08/511267908.db2.gz TZXOELCLXRHCFQ-ZJUUUORDSA-N 1 0 357.332 2.969 20 5 FFBDRO COc1ccc([C@H](C)[NH2+]CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)cc1 ZINC000271653736 511276700 /nfs/dbraw/zinc/27/67/00/511276700.db2.gz JTCGVOUDVSXYQM-NSHDSACASA-N 1 0 373.365 2.621 20 5 FFBDRO C[C@H]1C[C@@H](NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000295140369 511296440 /nfs/dbraw/zinc/29/64/40/511296440.db2.gz OLZADTSOGNCDQA-GXSJLCMTSA-N 1 0 357.332 2.969 20 5 FFBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000363026743 511305865 /nfs/dbraw/zinc/30/58/65/511305865.db2.gz MPRFWZOOZVMRJA-CABCVRRESA-N 1 0 358.442 2.552 20 5 FFBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000295237868 511332507 /nfs/dbraw/zinc/33/25/07/511332507.db2.gz ZXCGTEABBPGYAX-RNCFNFMXSA-N 1 0 357.332 2.826 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000298730066 511390860 /nfs/dbraw/zinc/39/08/60/511390860.db2.gz VGKHCGMAMOJAFH-UHFFFAOYSA-N 1 0 370.409 2.850 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@](C)(OC)CC1 ZINC000280250668 511391484 /nfs/dbraw/zinc/39/14/84/511391484.db2.gz BMGCQFQEQHZNGD-ACJLOTCBSA-N 1 0 365.430 2.821 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H]1CSC ZINC000298738811 511394181 /nfs/dbraw/zinc/39/41/81/511394181.db2.gz VTCITBLYJYGRGU-CYBMUJFWSA-N 1 0 353.444 2.759 20 5 FFBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000365378780 511414270 /nfs/dbraw/zinc/41/42/70/511414270.db2.gz SOVBUURBIMMPSI-CQSZACIVSA-N 1 0 367.833 2.714 20 5 FFBDRO C[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Br)CC[N@@H+]1C ZINC000334042138 511435299 /nfs/dbraw/zinc/43/52/99/511435299.db2.gz GXXHGVMEUPLHPR-UWVGGRQHSA-N 1 0 356.220 2.570 20 5 FFBDRO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000363238535 511436423 /nfs/dbraw/zinc/43/64/23/511436423.db2.gz FXQXEGXGDFLBDS-UHFFFAOYSA-N 1 0 357.414 2.562 20 5 FFBDRO C[C@@H](NC(=O)c1ccc(N)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272234593 511473887 /nfs/dbraw/zinc/47/38/87/511473887.db2.gz FKJJGNRKFGTEHT-RHSMWYFYSA-N 1 0 368.437 2.817 20 5 FFBDRO COc1cc(C[NH2+]CC(C)(C)CCO)c([N+](=O)[O-])cc1OCC(F)F ZINC000272238037 511475204 /nfs/dbraw/zinc/47/52/04/511475204.db2.gz AHFUJPAJIVTCCJ-UHFFFAOYSA-N 1 0 362.373 2.746 20 5 FFBDRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cc2ccccc2c2cccnc12 ZINC000363377101 511512575 /nfs/dbraw/zinc/51/25/75/511512575.db2.gz WRKNZRAVCLNKJA-SJORKVTESA-N 1 0 361.445 2.981 20 5 FFBDRO Cc1c(NC(=O)CC[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cccc1[N+](=O)[O-] ZINC000295820155 511524768 /nfs/dbraw/zinc/52/47/68/511524768.db2.gz BWOVBUYQCYUDPG-VHSSKADRSA-N 1 0 359.426 2.779 20 5 FFBDRO Cc1cc(C(=O)N2CCC[C@@H]2CN2C[C@@H](C)O[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000299194953 511547708 /nfs/dbraw/zinc/54/77/08/511547708.db2.gz MHHUBJVFHCIQHU-BFYDXBDKSA-N 1 0 361.442 2.617 20 5 FFBDRO CN(C(=O)C[NH2+][C@@H]1CCN(C)[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000283966066 511558814 /nfs/dbraw/zinc/55/88/14/511558814.db2.gz IFTFVDWIANBLIS-QUCCMNQESA-N 1 0 368.437 2.593 20 5 FFBDRO COc1cc(OC)cc([C@H](O)C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000283995537 511569576 /nfs/dbraw/zinc/56/95/76/511569576.db2.gz HMYTXSWMARFYKA-BBATYDOGSA-N 1 0 361.398 2.578 20 5 FFBDRO CC(C)N(C)c1ccc(CN2CCN(c3ncccc3[N+](=O)[O-])CC2)cn1 ZINC000296083989 511614668 /nfs/dbraw/zinc/61/46/68/511614668.db2.gz SCNAPIIJDWJAKA-UHFFFAOYSA-N 1 0 370.457 2.552 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1CCCc3c1cnn3CCO)CCC2 ZINC000365715399 511617133 /nfs/dbraw/zinc/61/71/33/511617133.db2.gz NGVBCLICMRVJJK-MSOLQXFVSA-N 1 0 356.426 2.828 20 5 FFBDRO CCC[C@H]([NH2+]C[C@@H]1CCn2ncc(C(N)=O)c2C1)c1cccc([N+](=O)[O-])c1 ZINC000280869533 511636087 /nfs/dbraw/zinc/63/60/87/511636087.db2.gz CUYFCONTZRRWJY-DYVFJYSZSA-N 1 0 371.441 2.584 20 5 FFBDRO CC(C)c1ccc(C(=O)N=c2ccn(C3CC[NH+](C)CC3)[nH]2)cc1[N+](=O)[O-] ZINC000365841285 511680884 /nfs/dbraw/zinc/68/08/84/511680884.db2.gz AKIPZGOPKVNKQX-UHFFFAOYSA-N 1 0 371.441 2.856 20 5 FFBDRO COc1cc(C[N@@H+]2CC[C@@](O)(C3CC3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000365856523 511689831 /nfs/dbraw/zinc/68/98/31/511689831.db2.gz JHKNLMKOJCIUIJ-KRWDZBQOSA-N 1 0 372.368 2.594 20 5 FFBDRO O=[N+]([O-])c1cnc(N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)nc1 ZINC000274044793 511703663 /nfs/dbraw/zinc/70/36/63/511703663.db2.gz YDLIHYLRKMPFIM-WMZOPIPTSA-N 1 0 353.426 2.876 20 5 FFBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000363690110 511705570 /nfs/dbraw/zinc/70/55/70/511705570.db2.gz HQZONJKXAXGAHB-CJNGLKHVSA-N 1 0 357.414 2.876 20 5 FFBDRO COc1cc(Cc2noc(C3CC[NH+](C4CC4)CC3)n2)ccc1[N+](=O)[O-] ZINC000350177661 511737119 /nfs/dbraw/zinc/73/71/19/511737119.db2.gz DLFHTPZSAXTGPQ-UHFFFAOYSA-N 1 0 358.398 2.919 20 5 FFBDRO CC[N@H+](C)CCNC(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000303653305 511746115 /nfs/dbraw/zinc/74/61/15/511746115.db2.gz XLCQQALHLURLON-GJZGRUSLSA-N 1 0 362.474 2.759 20 5 FFBDRO COc1cccc(-c2nc([C@H]3C[N@@H+]4CCC[C@@]4(C)CO3)no2)c1[N+](=O)[O-] ZINC000350346475 511785188 /nfs/dbraw/zinc/78/51/88/511785188.db2.gz ARINAHLAGUCPHW-DYVFJYSZSA-N 1 0 360.370 2.579 20 5 FFBDRO CC(C)[C@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C1(CO)CCC1 ZINC000292966174 511789430 /nfs/dbraw/zinc/78/94/30/511789430.db2.gz GDUXPNXJILUONI-KRWDZBQOSA-N 1 0 367.421 2.839 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000281291033 511791950 /nfs/dbraw/zinc/79/19/50/511791950.db2.gz CMBZFASWPJNNEK-CYBMUJFWSA-N 1 0 350.419 2.942 20 5 FFBDRO COc1cc(C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)c([N+](=O)[O-])cc1F ZINC000296561656 511797998 /nfs/dbraw/zinc/79/79/98/511797998.db2.gz PQNYNKYLZVZVKY-ZDUSSCGKSA-N 1 0 365.405 2.546 20 5 FFBDRO [NH3+]C[C@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)C1CCCCC1 ZINC000316602283 511802312 /nfs/dbraw/zinc/80/23/12/511802312.db2.gz HRRMUHVODBOGGT-AWEZNQCLSA-N 1 0 370.247 2.995 20 5 FFBDRO COC(=O)COc1ccc([C@@H](C)[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000274417657 511827526 /nfs/dbraw/zinc/82/75/26/511827526.db2.gz DBTVUEQTIUBJBK-FZKQIMNGSA-N 1 0 374.393 2.531 20 5 FFBDRO CN1CCO[C@@H]2CC[N@H+](Cc3cc(=O)oc4ccc5ccccc5c34)C[C@H]21 ZINC000284797609 511873578 /nfs/dbraw/zinc/87/35/78/511873578.db2.gz OITJSTREGISUNN-RTBURBONSA-N 1 0 364.445 2.851 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000327874718 511882366 /nfs/dbraw/zinc/88/23/66/511882366.db2.gz XXMKFCAHKCFEGS-INIZCTEOSA-N 1 0 363.439 2.662 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(Cc2noc([C@H]3CCc4nccn4C3)n2)c1 ZINC000350898521 511903898 /nfs/dbraw/zinc/90/38/98/511903898.db2.gz ILCLIKGYFJWCCZ-NSHDSACASA-N 1 0 355.354 2.504 20 5 FFBDRO COc1cc(C[NH2+]CCC(C)(C)O)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000274785644 511941131 /nfs/dbraw/zinc/94/11/31/511941131.db2.gz WXKUWFZSYXYEFI-UHFFFAOYSA-N 1 0 366.336 2.795 20 5 FFBDRO C[C@H]([NH2+]Cc1cccc(C(=O)NC2CC2)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285067739 511987680 /nfs/dbraw/zinc/98/76/80/511987680.db2.gz JCMIYDSHEXWDFI-LBPRGKRZSA-N 1 0 354.410 2.920 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H](C[N@H+](C)CC)C1 ZINC000281949061 512022561 /nfs/dbraw/zinc/02/25/61/512022561.db2.gz MBAULVMTEGFRMG-ZDUSSCGKSA-N 1 0 350.419 2.799 20 5 FFBDRO COC(=O)C(C)(C)CC[NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000285173064 512025754 /nfs/dbraw/zinc/02/57/54/512025754.db2.gz QVLBGKCRCGIBQA-SNVBAGLBSA-N 1 0 371.821 2.754 20 5 FFBDRO COC(=O)C(C)(C)CC[NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000285173061 512025829 /nfs/dbraw/zinc/02/58/29/512025829.db2.gz QVLBGKCRCGIBQA-JTQLQIEISA-N 1 0 371.821 2.754 20 5 FFBDRO O=C(N[C@H]1CC12CC[NH2+]CC2)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000366473693 512042044 /nfs/dbraw/zinc/04/20/44/512042044.db2.gz NJYLHZXQDFRIIW-AWEZNQCLSA-N 1 0 358.423 2.590 20 5 FFBDRO C[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@@]2(CCCOC2)O1 ZINC000366484457 512047897 /nfs/dbraw/zinc/04/78/97/512047897.db2.gz JDSNXHZXPBWAAI-SJKOYZFVSA-N 1 0 372.368 2.966 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000297183719 512050977 /nfs/dbraw/zinc/05/09/77/512050977.db2.gz LJVLFFQAUZIUTP-MSOLQXFVSA-N 1 0 357.385 2.999 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCO[C@]4(CCCOC4)C3)o2)c1 ZINC000285274021 512060903 /nfs/dbraw/zinc/06/09/03/512060903.db2.gz IWHBHCRDXPORGI-LJQANCHMSA-N 1 0 373.409 2.674 20 5 FFBDRO C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)C1=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285281480 512063685 /nfs/dbraw/zinc/06/36/85/512063685.db2.gz RGZUUYUOGNSINE-GUYCJALGSA-N 1 0 354.410 2.629 20 5 FFBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@H]2CCO[C@]3(CCOC3)C2)c1 ZINC000360063009 512070461 /nfs/dbraw/zinc/07/04/61/512070461.db2.gz XNPXYOOHSOKTSH-BLLLJJGKSA-N 1 0 358.341 2.624 20 5 FFBDRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000285306497 512071193 /nfs/dbraw/zinc/07/11/93/512071193.db2.gz SHRSVSKKFQBGLN-UONOGXRCSA-N 1 0 360.863 2.736 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000366609224 512102052 /nfs/dbraw/zinc/10/20/52/512102052.db2.gz PDKQQVORSQPGPW-AWEZNQCLSA-N 1 0 357.414 2.909 20 5 FFBDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000369662404 512541783 /nfs/dbraw/zinc/54/17/83/512541783.db2.gz HMJLMQBJLYXBBZ-MRXNPFEDSA-N 1 0 363.458 2.549 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCS[C@H](C)[C@@H]1C ZINC000411283471 512561738 /nfs/dbraw/zinc/56/17/38/512561738.db2.gz YWDDEOAGNFFLQC-NWDGAFQWSA-N 1 0 353.444 2.758 20 5 FFBDRO O=C(CC[N@@H+](CCO)[C@@H]1CCc2ccccc21)Nc1ccc([N+](=O)[O-])cc1 ZINC000411339359 512587454 /nfs/dbraw/zinc/58/74/54/512587454.db2.gz YUDJNXRRGHBEKT-LJQANCHMSA-N 1 0 369.421 2.905 20 5 FFBDRO CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000367624973 512589238 /nfs/dbraw/zinc/58/92/38/512589238.db2.gz KACNZGQOCLGUFN-NZSAHSFTSA-N 1 0 371.437 2.697 20 5 FFBDRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000411548973 512684376 /nfs/dbraw/zinc/68/43/76/512684376.db2.gz GKFSDBJQWLHUEQ-YZGWKJHDSA-N 1 0 367.449 2.987 20 5 FFBDRO COc1ccc(NC(=O)CC[N@@H+]2CCCCC[C@H]2CCO)c([N+](=O)[O-])c1 ZINC000411697888 512766402 /nfs/dbraw/zinc/76/64/02/512766402.db2.gz LJMXTRXEYFDYGI-AWEZNQCLSA-N 1 0 365.430 2.559 20 5 FFBDRO COCCOCc1ccc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000368034264 512773573 /nfs/dbraw/zinc/77/35/73/512773573.db2.gz AQWQCGMQNPLPDB-UHFFFAOYSA-N 1 0 374.441 2.791 20 5 FFBDRO Cn1ccnc1[C@H](N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000378563071 512825500 /nfs/dbraw/zinc/82/55/00/512825500.db2.gz RPNPHXGVQGCEDT-KBAYOESNSA-N 1 0 355.442 2.634 20 5 FFBDRO COc1cccc([C@@H]2C[C@@H](C)C[N@@H+]2CCn2cc([N+](=O)[O-])ccc2=O)c1 ZINC000378639137 512860826 /nfs/dbraw/zinc/86/08/26/512860826.db2.gz DPBGPSSFWATKAO-KDOFPFPSSA-N 1 0 357.410 2.848 20 5 FFBDRO CO[C@H]1c2ccccc2C[C@H]1[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000411893366 512864335 /nfs/dbraw/zinc/86/43/35/512864335.db2.gz OCCDRCWJLNZEAO-MJGOQNOKSA-N 1 0 356.378 2.863 20 5 FFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCC[C@@](CO)(c3ccccc3)C2)c1 ZINC000374531875 512876663 /nfs/dbraw/zinc/87/66/63/512876663.db2.gz SXXDQKHSZOELGS-VQTJNVASSA-N 1 0 356.422 2.654 20 5 FFBDRO O=C(CC[N@@H+]1C[C@@H](O)C[C@H]1c1ccccc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411932529 512878604 /nfs/dbraw/zinc/87/86/04/512878604.db2.gz GAEJBUROQPVAKG-ROUUACIJSA-N 1 0 355.394 2.731 20 5 FFBDRO O=C(CC[N@@H+]1C[C@H](O)C[C@@H]1c1ccccc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411932528 512878780 /nfs/dbraw/zinc/87/87/80/512878780.db2.gz GAEJBUROQPVAKG-QZTJIDSGSA-N 1 0 355.394 2.731 20 5 FFBDRO C[C@@H]1[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC[N@@H+]1Cc1ccccc1 ZINC000383835700 512881921 /nfs/dbraw/zinc/88/19/21/512881921.db2.gz SXBJJCHULPGTKW-MLGOLLRUSA-N 1 0 372.400 2.709 20 5 FFBDRO C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000412017526 512913217 /nfs/dbraw/zinc/91/32/17/512913217.db2.gz ZVXFYNROHFGSCH-IPMKNSEASA-N 1 0 358.442 2.810 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000392979444 512930586 /nfs/dbraw/zinc/93/05/86/512930586.db2.gz OQRZGAODWZOFKE-OAHLLOKOSA-N 1 0 363.439 2.662 20 5 FFBDRO COc1ccc(CN[C@H](c2nc(C)no2)C2CCOCC2)cc1[N+](=O)[O-] ZINC000376739434 512966293 /nfs/dbraw/zinc/96/62/93/512966293.db2.gz JGESQAGTJXOXRX-INIZCTEOSA-N 1 0 362.386 2.552 20 5 FFBDRO Cc1cc(C(=O)N2C[C@@H](C[NH+](C)C)Oc3ccccc32)ccc1[N+](=O)[O-] ZINC000370502615 512967237 /nfs/dbraw/zinc/96/72/37/512967237.db2.gz HMZNENUOFFFUME-OAHLLOKOSA-N 1 0 355.394 2.873 20 5 FFBDRO C[C@@H]1CCCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)[C@H]1CC[NH3+] ZINC000404298739 512968818 /nfs/dbraw/zinc/96/88/18/512968818.db2.gz YMQANROSYOPJAR-YGRLFVJLSA-N 1 0 370.247 2.947 20 5 FFBDRO O=C(c1cc(Cl)c[nH]1)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000370576745 512999664 /nfs/dbraw/zinc/99/96/64/512999664.db2.gz VZKOYBQZPRWCQC-UHFFFAOYSA-N 1 0 362.817 2.971 20 5 FFBDRO Cc1c(NC(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000370603889 513013237 /nfs/dbraw/zinc/01/32/37/513013237.db2.gz WSIKDRWYLGUEIK-CYBMUJFWSA-N 1 0 362.430 2.620 20 5 FFBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000368610445 513024033 /nfs/dbraw/zinc/02/40/33/513024033.db2.gz CHEVBCSSYJJOJF-GOEBONIOSA-N 1 0 354.410 2.881 20 5 FFBDRO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000417758193 513196840 /nfs/dbraw/zinc/19/68/40/513196840.db2.gz CCIIINFGFREWAT-KRWDZBQOSA-N 1 0 360.458 2.557 20 5 FFBDRO CS[C@H]1CN(C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000446223668 513212304 /nfs/dbraw/zinc/21/23/04/513212304.db2.gz AFYWAMWAUSNYDS-STQMWFEESA-N 1 0 357.863 2.674 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000439930081 513212647 /nfs/dbraw/zinc/21/26/47/513212647.db2.gz LPRHFXKOVWMZBQ-HNNXBMFYSA-N 1 0 350.419 2.797 20 5 FFBDRO O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000415437799 513260614 /nfs/dbraw/zinc/26/06/14/513260614.db2.gz LEMUHGSNRVZCPK-UWVGGRQHSA-N 1 0 358.320 2.687 20 5 FFBDRO CC(C)C[C@@H](C[NH+]1CCCC1)Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000450595036 513265711 /nfs/dbraw/zinc/26/57/11/513265711.db2.gz QBFPSMRDGVHGJA-AWEZNQCLSA-N 1 0 369.487 2.921 20 5 FFBDRO O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000415450057 513267753 /nfs/dbraw/zinc/26/77/53/513267753.db2.gz WDCRMZNKFBXMBY-PHIMTYICSA-N 1 0 358.320 2.972 20 5 FFBDRO COc1ccc(OCCN2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000429046940 513268473 /nfs/dbraw/zinc/26/84/73/513268473.db2.gz XZRLEYMNYUZBCT-ZMSDIMECSA-N 1 0 363.458 2.644 20 5 FFBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000417939167 513292063 /nfs/dbraw/zinc/29/20/63/513292063.db2.gz KFSWXBAQFJOKLJ-AEFFLSMTSA-N 1 0 360.458 2.701 20 5 FFBDRO COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000415496121 513292653 /nfs/dbraw/zinc/29/26/53/513292653.db2.gz GDQKUTHBYPWYOJ-ZWKOTPCHSA-N 1 0 370.409 2.871 20 5 FFBDRO Cc1cccc(C[N@@H+]2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)n1 ZINC000450734905 513319680 /nfs/dbraw/zinc/31/96/80/513319680.db2.gz DQVNVDCDEJJMKN-UHFFFAOYSA-N 1 0 366.425 2.887 20 5 FFBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)NCCc3ccc(Cl)cc3[N+](=O)[O-])C[C@H]21 ZINC000417991483 513321522 /nfs/dbraw/zinc/32/15/22/513321522.db2.gz NGBSTHUGNFJROD-BPLDGKMQSA-N 1 0 366.849 2.560 20 5 FFBDRO CCC[C@@H]1C[NH2+]CCN1C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000417992687 513322899 /nfs/dbraw/zinc/32/28/99/513322899.db2.gz PAMDMZSOMNEARC-CQSZACIVSA-N 1 0 354.838 2.574 20 5 FFBDRO CC(C)(C)OC(=O)CN[C@]1(C)CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000440491426 513332825 /nfs/dbraw/zinc/33/28/25/513332825.db2.gz SEPYBXCEFNZZJV-LJQANCHMSA-N 1 0 363.458 2.533 20 5 FFBDRO CCC1(CC)[C@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@@H](C)[C@H]1OC ZINC000429318992 513338740 /nfs/dbraw/zinc/33/87/40/513338740.db2.gz PSEIYUOMBSTKGF-LTCOOKNTSA-N 1 0 366.458 2.764 20 5 FFBDRO C[C@H]1CN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC[N@H+](Cc2ccccc2)C1 ZINC000450807620 513351938 /nfs/dbraw/zinc/35/19/38/513351938.db2.gz GWTDJWWHHQHALL-OAHLLOKOSA-N 1 0 368.437 2.652 20 5 FFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425002593 513362575 /nfs/dbraw/zinc/36/25/75/513362575.db2.gz LGVUDOFITWQTSY-AZUAARDMSA-N 1 0 365.433 2.870 20 5 FFBDRO O=C(NCCC1=CC[NH2+]CC1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000418088322 513368186 /nfs/dbraw/zinc/36/81/86/513368186.db2.gz JYWTUMWOHFKWQU-UHFFFAOYSA-N 1 0 372.347 2.723 20 5 FFBDRO Cc1c(NC(=O)NC[C@@H]([NH3+])C(C)C)cc(Br)cc1[N+](=O)[O-] ZINC000415663400 513368568 /nfs/dbraw/zinc/36/85/68/513368568.db2.gz RXXNQECVYIITBL-SNVBAGLBSA-N 1 0 359.224 2.771 20 5 FFBDRO C[C@H]1CCN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C[C@@H]1C[NH3+] ZINC000418091998 513368637 /nfs/dbraw/zinc/36/86/37/513368637.db2.gz QOYMRMFVDRUVEW-JQWIXIFHSA-N 1 0 374.363 2.740 20 5 FFBDRO C[N@@H+]1CCN(CCNc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1(C)C ZINC000440646492 513369736 /nfs/dbraw/zinc/36/97/36/513369736.db2.gz GGNWXVGZZQGNMM-UHFFFAOYSA-N 1 0 369.469 2.517 20 5 FFBDRO CC1(C)CCc2ccccc2[C@@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000440648876 513370480 /nfs/dbraw/zinc/37/04/80/513370480.db2.gz QNNLASJZJRWFHD-AEFFLSMTSA-N 1 0 358.442 2.846 20 5 FFBDRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000418098478 513371185 /nfs/dbraw/zinc/37/11/85/513371185.db2.gz ZZGXHDCVNPQOLB-VHSXEESVSA-N 1 0 360.336 2.505 20 5 FFBDRO [NH3+][C@@H]1CCC[C@H](CNC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000415704099 513389506 /nfs/dbraw/zinc/38/95/06/513389506.db2.gz RMQYTWZWVNXYHP-GXSJLCMTSA-N 1 0 371.235 2.996 20 5 FFBDRO C[NH2+]C[C@H]1CCCN1C(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000429516431 513396871 /nfs/dbraw/zinc/39/68/71/513396871.db2.gz OZZYJHFXCSTGEX-GOEBONIOSA-N 1 0 360.458 2.655 20 5 FFBDRO COCCO[C@@H]1C[C@@H](CO)C[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000447101479 513398922 /nfs/dbraw/zinc/39/89/22/513398922.db2.gz XKEBAFFYIDRKLY-IAGOWNOFSA-N 1 0 366.458 2.564 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000421760432 513409806 /nfs/dbraw/zinc/40/98/06/513409806.db2.gz FYCOMGLMGAGEKX-UHFFFAOYSA-N 1 0 361.442 2.586 20 5 FFBDRO COC(=O)C1CC[NH+](CCCNc2ccc([N+](=O)[O-])c3ncccc23)CC1 ZINC000413054178 513410110 /nfs/dbraw/zinc/41/01/10/513410110.db2.gz MOVIFXSWUVANEO-UHFFFAOYSA-N 1 0 372.425 2.830 20 5 FFBDRO CCn1c(C)nc([N+](=O)[O-])c1N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000450947831 513419581 /nfs/dbraw/zinc/41/95/81/513419581.db2.gz CZRDPXYLADYRBO-UHFFFAOYSA-N 1 0 363.384 2.973 20 5 FFBDRO Cc1c(Br)c(N(C)[C@H]2CC[N@@H+](C(C)C)C2)ncc1[N+](=O)[O-] ZINC000450951893 513421954 /nfs/dbraw/zinc/42/19/54/513421954.db2.gz GUQVSSAAQPYVFB-NSHDSACASA-N 1 0 357.252 2.980 20 5 FFBDRO C[C@H](NC(=O)N(CC[NH3+])CCc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000418238658 513436491 /nfs/dbraw/zinc/43/64/91/513436491.db2.gz XUTPOFVUXVRDBS-HNNXBMFYSA-N 1 0 356.426 2.869 20 5 FFBDRO O=C(NCC[C@@H]1CCC[NH2+]C1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000418346989 513475642 /nfs/dbraw/zinc/47/56/42/513475642.db2.gz NDNOLIXNNRUDGJ-RDJZCZTQSA-N 1 0 360.458 2.874 20 5 FFBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000415965573 513503822 /nfs/dbraw/zinc/50/38/22/513503822.db2.gz AKKYVZHJCYRVTH-UHFFFAOYSA-N 1 0 370.409 2.783 20 5 FFBDRO CCOC(=O)CC1CC[NH+](CCOc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000441182043 513506757 /nfs/dbraw/zinc/50/67/57/513506757.db2.gz PCOZZTFQQOOBML-UHFFFAOYSA-N 1 0 366.414 2.647 20 5 FFBDRO CCC(CC)(C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)C(=O)OC ZINC000447592579 513516901 /nfs/dbraw/zinc/51/69/01/513516901.db2.gz MNKZHMLDEZEIJS-KGLIPLIRSA-N 1 0 352.435 2.844 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@@H](CO)Cc2ccc(F)cc2)n1 ZINC000447597246 513519013 /nfs/dbraw/zinc/51/90/13/513519013.db2.gz RYXGRAYNFZEDPV-BRWVUGGUSA-N 1 0 362.405 2.607 20 5 FFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCOCC(F)(F)C(F)F)n1 ZINC000447601629 513520092 /nfs/dbraw/zinc/52/00/92/513520092.db2.gz QQNIUCAKFMGDNB-MNOVXSKESA-N 1 0 368.331 2.782 20 5 FFBDRO O=[N+]([O-])c1ccc(OC(F)F)c(CN2CCC[C@H](n3ccnn3)C2)c1 ZINC000425349525 513522324 /nfs/dbraw/zinc/52/23/24/513522324.db2.gz KSKREJIWPWIJLM-ZDUSSCGKSA-N 1 0 353.329 2.625 20 5 FFBDRO C[C@H]([NH2+]CC(=O)NCCc1c(F)cccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000451102256 513523496 /nfs/dbraw/zinc/52/34/96/513523496.db2.gz BUAMNHOSOMCPRU-LBPRGKRZSA-N 1 0 363.364 2.883 20 5 FFBDRO CCO[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425436843 513564586 /nfs/dbraw/zinc/56/45/86/513564586.db2.gz XGNSWALZCZLNCP-GXTWGEPZSA-N 1 0 359.220 2.641 20 5 FFBDRO COc1cc(CN2CC[C@H](C[NH3+])C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000435392171 513573998 /nfs/dbraw/zinc/57/39/98/513573998.db2.gz VNKQAEWIDRPDTN-MRXNPFEDSA-N 1 0 371.437 2.963 20 5 FFBDRO CN(C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)C(C)(C)C[NH+]1CCCC1 ZINC000416112511 513576567 /nfs/dbraw/zinc/57/65/67/513576567.db2.gz XJFRSVQKHCNUPG-UHFFFAOYSA-N 1 0 371.441 2.727 20 5 FFBDRO O=C(CC[N@@H+]1CCc2ccccc2C1)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000416129374 513585671 /nfs/dbraw/zinc/58/56/71/513585671.db2.gz VYKAKSWVUIWLSA-UHFFFAOYSA-N 1 0 368.437 2.571 20 5 FFBDRO Cc1ncsc1CN(C[C@H]1CC[NH2+]C1)C(=O)c1cc([N+](=O)[O-])ccc1C ZINC000435598823 513631263 /nfs/dbraw/zinc/63/12/63/513631263.db2.gz SXHBNYADHTZGBY-AWEZNQCLSA-N 1 0 374.466 2.920 20 5 FFBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000418761631 513645200 /nfs/dbraw/zinc/64/52/00/513645200.db2.gz IAWQGIUXBMFJNO-UHFFFAOYSA-N 1 0 372.469 2.890 20 5 FFBDRO Cn1cnc([N+](=O)[O-])c1CN(Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435698809 513661990 /nfs/dbraw/zinc/66/19/90/513661990.db2.gz XWVLGQVAYFEQOV-HNNXBMFYSA-N 1 0 361.471 2.534 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000451341207 513688527 /nfs/dbraw/zinc/68/85/27/513688527.db2.gz KTIBYXRDXVPOMO-NXHRZFHOSA-N 1 0 361.442 2.857 20 5 FFBDRO C[NH+](C)C1(CNC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000416295015 513694491 /nfs/dbraw/zinc/69/44/91/513694491.db2.gz ZLTKIANDBZAIMT-UHFFFAOYSA-N 1 0 374.363 2.626 20 5 FFBDRO CC1(C)CCC[NH2+][C@H]1CNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000430702130 513728433 /nfs/dbraw/zinc/72/84/33/513728433.db2.gz XZEGAGCIKNJGAA-ZDUSSCGKSA-N 1 0 370.247 2.865 20 5 FFBDRO CC1(C)[C@H]([NH2+]Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[C@@H]2CCCO[C@H]21 ZINC000451477315 513773106 /nfs/dbraw/zinc/77/31/06/513773106.db2.gz HFMPJTWYJCSWPC-NUEKZKHPSA-N 1 0 358.398 2.938 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)C[C@@H]1C ZINC000416462476 513783830 /nfs/dbraw/zinc/78/38/30/513783830.db2.gz QPQAACDWGBRDMG-GJZGRUSLSA-N 1 0 369.487 2.705 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1[C@@H](C)[C@H](OC)C1(C)C ZINC000451491788 513785675 /nfs/dbraw/zinc/78/56/75/513785675.db2.gz CCCHZTGAAHJYER-LQAWEQHXSA-N 1 0 365.430 2.581 20 5 FFBDRO CO[C@@H]1[C@H](C)[C@H]([NH2+]CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1(C)C ZINC000451499103 513790525 /nfs/dbraw/zinc/79/05/25/513790525.db2.gz LMZCWCFTWHJHDR-TURNYIBQSA-N 1 0 355.822 2.836 20 5 FFBDRO C[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)[C@@H](CO)c1ccccc1 ZINC000436250123 513806200 /nfs/dbraw/zinc/80/62/00/513806200.db2.gz BNQAXNKPEBSULP-KRWDZBQOSA-N 1 0 371.393 2.558 20 5 FFBDRO CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000451592820 513855099 /nfs/dbraw/zinc/85/50/99/513855099.db2.gz RMEQRYJSVKAAOG-WQVCFCJDSA-N 1 0 363.414 2.633 20 5 FFBDRO O=C(CNc1ccc(Cl)cc1[N+](=O)[O-])NCC[NH+]1CCCCCC1 ZINC000431490635 513910047 /nfs/dbraw/zinc/91/00/47/513910047.db2.gz MEUJHMDFTZFHIL-UHFFFAOYSA-N 1 0 354.838 2.652 20 5 FFBDRO C[NH2+]C[C@H]1CCCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000422723322 513913641 /nfs/dbraw/zinc/91/36/41/513913641.db2.gz QYTMZDCHXRLHKQ-LLVKDONJSA-N 1 0 357.863 2.798 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000422734514 513917564 /nfs/dbraw/zinc/91/75/64/513917564.db2.gz TYGZVLSSKZZNNZ-UHFFFAOYSA-N 1 0 356.426 2.825 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H]2C[C@H](O)CC[C@H]2C1 ZINC000451700291 513921220 /nfs/dbraw/zinc/92/12/20/513921220.db2.gz XFOMSUUMSISDSV-HLLBOEOZSA-N 1 0 361.442 2.715 20 5 FFBDRO C[N@@H+]1CCCC[C@H]1CCC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000431717970 513978192 /nfs/dbraw/zinc/97/81/92/513978192.db2.gz AYGHZFYFGMRCDJ-INIZCTEOSA-N 1 0 360.458 2.508 20 5 FFBDRO CCCC[NH+]1CCC(NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)CC1 ZINC000448944964 513984810 /nfs/dbraw/zinc/98/48/10/513984810.db2.gz GCBQYCZQDVXUQX-UHFFFAOYSA-N 1 0 371.441 2.979 20 5 FFBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000443805036 514047338 /nfs/dbraw/zinc/04/73/38/514047338.db2.gz CQPOEXHCTSENJD-INIZCTEOSA-N 1 0 373.409 2.668 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]3C[NH2+]C[C@@H]3C2)nc1OCc1ccccc1 ZINC000420257755 514062967 /nfs/dbraw/zinc/06/29/67/514062967.db2.gz KMOBXSLNKBZWFI-HZPDHXFCSA-N 1 0 354.410 2.615 20 5 FFBDRO COc1ccc(C(=O)NCC[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000449085143 514067369 /nfs/dbraw/zinc/06/73/69/514067369.db2.gz KQMJWDPVTNVKDP-CQSZACIVSA-N 1 0 357.410 2.554 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C[NH+](C)C)cc1F ZINC000414400360 514093636 /nfs/dbraw/zinc/09/36/36/514093636.db2.gz WVSCMMLMBZZIKT-UHFFFAOYSA-N 1 0 367.402 2.905 20 5 FFBDRO C[NH2+]CCN(C)[C@@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000420340365 514101554 /nfs/dbraw/zinc/10/15/54/514101554.db2.gz RPBIUWWWQMGVRX-GOSISDBHSA-N 1 0 356.426 2.734 20 5 FFBDRO CC(C)[N@H+](C)CCNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444021127 514101877 /nfs/dbraw/zinc/10/18/77/514101877.db2.gz MTGUDNSNCFWJSH-UHFFFAOYSA-N 1 0 355.413 2.890 20 5 FFBDRO O=C(CN1CC[NH2+]C[C@H]1c1ccccc1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000420408152 514136924 /nfs/dbraw/zinc/13/69/24/514136924.db2.gz PAQOKRQKGGQOPM-KRWDZBQOSA-N 1 0 374.828 2.833 20 5 FFBDRO C[N@@H+]1CCCC[C@@H]1CN1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000432322194 514158924 /nfs/dbraw/zinc/15/89/24/514158924.db2.gz YIRJJOITBOVXAD-CQSZACIVSA-N 1 0 352.866 2.855 20 5 FFBDRO CC[N@H+](CCNC(=O)Cc1ccc([N+](=O)[O-])cc1F)CCC(F)(F)F ZINC000427254984 514162827 /nfs/dbraw/zinc/16/28/27/514162827.db2.gz BRSBKVPVLKJTLU-UHFFFAOYSA-N 1 0 365.327 2.667 20 5 FFBDRO CCc1[nH]nc(-c2nc(-c3cccc(OCC[NH+](C)C)c3)no2)c1[N+](=O)[O-] ZINC000420497992 514173395 /nfs/dbraw/zinc/17/33/95/514173395.db2.gz BKGANLFKSAZDBO-UHFFFAOYSA-N 1 0 372.385 2.538 20 5 FFBDRO COC(=O)[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C[C@H]1c1ccc(O)cc1 ZINC000449348291 514177401 /nfs/dbraw/zinc/17/74/01/514177401.db2.gz LPBZIDFMPFKLPL-RBUKOAKNSA-N 1 0 370.405 2.997 20 5 FFBDRO C[C@@H](NC(=O)NCCC[NH2+]Cc1cccnc1)c1cccc([N+](=O)[O-])c1 ZINC000417125232 514180419 /nfs/dbraw/zinc/18/04/19/514180419.db2.gz BDHBBXOBKRJKMA-CQSZACIVSA-N 1 0 357.414 2.530 20 5 FFBDRO COC[C@](C)(O)CC[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000449385210 514189644 /nfs/dbraw/zinc/18/96/44/514189644.db2.gz PNPZATSJHCNGOC-GOSISDBHSA-N 1 0 364.398 2.741 20 5 FFBDRO NC(=O)c1cccc([N+](=O)[O-])c1NC1CC[NH+](CCc2ccccc2)CC1 ZINC000420582479 514192086 /nfs/dbraw/zinc/19/20/86/514192086.db2.gz HGKDFIBRNSVRMH-UHFFFAOYSA-N 1 0 368.437 2.813 20 5 FFBDRO C[C@H]1C[C@@H](Nc2c(C(N)=O)cccc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000420602223 514197097 /nfs/dbraw/zinc/19/70/97/514197097.db2.gz OLQWAHCQYMZJKM-DZGCQCFKSA-N 1 0 354.410 2.769 20 5 FFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000423672528 514198077 /nfs/dbraw/zinc/19/80/77/514198077.db2.gz OCCLCKNHIBJRRB-OAHLLOKOSA-N 1 0 355.394 2.610 20 5 FFBDRO C[C@@H](CCC[NH3+])NC(=O)c1cc(F)cc2c1[nH]c1c(F)cccc1c2=O ZINC000423692969 514203115 /nfs/dbraw/zinc/20/31/15/514203115.db2.gz QXUSHSONCRWQOV-JTQLQIEISA-N 1 0 359.376 2.817 20 5 FFBDRO CC[C@H]1[C@H](CO)CC[N@@H+]1Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000449421969 514205131 /nfs/dbraw/zinc/20/51/31/514205131.db2.gz MFJQCTHGMDQNNE-JQWIXIFHSA-N 1 0 360.357 2.798 20 5 FFBDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000452120845 514205220 /nfs/dbraw/zinc/20/52/20/514205220.db2.gz JNTUOKHUXPMVJV-MPGHIAIKSA-N 1 0 373.453 2.746 20 5 FFBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000423747242 514217597 /nfs/dbraw/zinc/21/75/97/514217597.db2.gz QERLGJMEIPHYKG-JQWIXIFHSA-N 1 0 371.387 2.817 20 5 FFBDRO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)c1ccc2c(c1)CC[NH2+]CC2 ZINC000423850584 514263581 /nfs/dbraw/zinc/26/35/81/514263581.db2.gz QYWZRDIERUZLPA-UHFFFAOYSA-N 1 0 359.813 2.866 20 5 FFBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N(C)C3CC([NH3+])C3)cc2[N+](=O)[O-])C1 ZINC000449632175 514274464 /nfs/dbraw/zinc/27/44/64/514274464.db2.gz QJZDPZPUJMSHKG-YPXDRJKUSA-N 1 0 360.458 2.639 20 5 FFBDRO CCOc1cc(NC(=O)N[C@H]2CC[NH2+][C@H](C)C2)c([N+](=O)[O-])cc1OCC ZINC000414762025 514279170 /nfs/dbraw/zinc/27/91/70/514279170.db2.gz VGUOWHBQQSKKQB-NEPJUHHUSA-N 1 0 366.418 2.654 20 5 FFBDRO CCOc1cc(NC(=O)N[C@H]2CC[C@@H](C[NH3+])C2)c([N+](=O)[O-])cc1OCC ZINC000414762362 514279752 /nfs/dbraw/zinc/27/97/52/514279752.db2.gz VWXPHNVOCIZMJH-NEPJUHHUSA-N 1 0 366.418 2.641 20 5 FFBDRO [NH3+][C@@H]1CCC[C@H](CNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000449648533 514280141 /nfs/dbraw/zinc/28/01/41/514280141.db2.gz QWQOVGXNORYSRZ-WCQYABFASA-N 1 0 355.822 2.651 20 5 FFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423960920 514309481 /nfs/dbraw/zinc/30/94/81/514309481.db2.gz CXEYTAKFCDUFJQ-DOPJRALCSA-N 1 0 371.462 2.947 20 5 FFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000449698496 514311140 /nfs/dbraw/zinc/31/11/40/514311140.db2.gz NCVNAQMRVYVZDW-KGLIPLIRSA-N 1 0 351.834 2.639 20 5 FFBDRO O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)c1cc2ccccc2c2cccnc12 ZINC000452378665 514320856 /nfs/dbraw/zinc/32/08/56/514320856.db2.gz XBQPUTYVTPBZKI-QGZVFWFLSA-N 1 0 363.461 2.965 20 5 FFBDRO C[C@@H]1CCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@@H]1C[NH3+] ZINC000423998081 514329519 /nfs/dbraw/zinc/32/95/19/514329519.db2.gz AGRSONAQAUNDGV-YPMHNXCESA-N 1 0 360.439 2.775 20 5 FFBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000424001687 514332106 /nfs/dbraw/zinc/33/21/06/514332106.db2.gz POBJNPPTNGQUEA-KRWDZBQOSA-N 1 0 355.394 2.537 20 5 FFBDRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NCc2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000414884969 514340316 /nfs/dbraw/zinc/34/03/16/514340316.db2.gz OTHCGPRAXODBEB-ROUUACIJSA-N 1 0 371.437 2.847 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)c1 ZINC000424014904 514341537 /nfs/dbraw/zinc/34/15/37/514341537.db2.gz WPSGOZWGOLWFRM-DLBZAZTESA-N 1 0 373.384 2.700 20 5 FFBDRO [NH3+]C[C@H]1CN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)CCCO1 ZINC000424029389 514348250 /nfs/dbraw/zinc/34/82/50/514348250.db2.gz XWWQYWISHGANIE-INIZCTEOSA-N 1 0 370.409 2.528 20 5 FFBDRO Cn1ccnc1[C@@H](NCC[N@@H+]1CCCC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000449783457 514352278 /nfs/dbraw/zinc/35/22/78/514352278.db2.gz PFRHCXROBSNEFI-KRWDZBQOSA-N 1 0 357.458 2.882 20 5 FFBDRO CC(C)[C@H](C(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)[NH+]1CCCCC1 ZINC000427964561 514359114 /nfs/dbraw/zinc/35/91/14/514359114.db2.gz NIFNXEZOGCOFST-GOSISDBHSA-N 1 0 361.442 2.826 20 5 FFBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)NC(C)(C)CC[NH3+])cc2[N+](=O)[O-])C1 ZINC000424064087 514364248 /nfs/dbraw/zinc/36/42/48/514364248.db2.gz VFLZNLJTQTUTSK-OKILXGFUSA-N 1 0 362.474 2.934 20 5 FFBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414947650 514369593 /nfs/dbraw/zinc/36/95/93/514369593.db2.gz KZFUFGCAXPYOEB-SKDRFNHKSA-N 1 0 358.345 2.930 20 5 FFBDRO [NH3+][C@H]1Cc2ccccc2N(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000424074992 514370295 /nfs/dbraw/zinc/37/02/95/514370295.db2.gz LFEOEDJWHUKQBO-HNNXBMFYSA-N 1 0 354.410 2.704 20 5 FFBDRO C[C@H]1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)[C@H](C[NH3+])C1 ZINC000414952065 514372964 /nfs/dbraw/zinc/37/29/64/514372964.db2.gz QLPJWUOFUJUJMO-ONGXEEELSA-N 1 0 358.345 2.787 20 5 FFBDRO CC[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C[C@H](CC)O1 ZINC000420964264 514405061 /nfs/dbraw/zinc/40/50/61/514405061.db2.gz WNMXSFHFFOMJKT-OKILXGFUSA-N 1 0 365.430 2.821 20 5 FFBDRO COC(=O)c1cc([C@H](C)[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)oc1C ZINC000433204959 514420814 /nfs/dbraw/zinc/42/08/14/514420814.db2.gz BHHRCKKWZOSJRZ-NSHDSACASA-N 1 0 362.386 2.877 20 5 FFBDRO C[N@H+](CCc1cccc(NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)c1)C1CC1 ZINC000445131415 514423600 /nfs/dbraw/zinc/42/36/00/514423600.db2.gz DIMCQYBWWGPODH-UHFFFAOYSA-N 1 0 356.382 2.584 20 5 FFBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000420994428 514429680 /nfs/dbraw/zinc/42/96/80/514429680.db2.gz CDQFXFDDXJBCGC-AAEUAGOBSA-N 1 0 354.838 2.601 20 5 FFBDRO [NH3+][C@@H]1CCO[C@@H](C2CCN(Cc3ccc([N+](=O)[O-])cc3Cl)CC2)C1 ZINC000415119908 514451569 /nfs/dbraw/zinc/45/15/69/514451569.db2.gz FUJZHZVBNZPSIS-RHSMWYFYSA-N 1 0 353.850 2.967 20 5 FFBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000449986021 514453536 /nfs/dbraw/zinc/45/35/36/514453536.db2.gz FVZPVMXTMZJLGW-HNNXBMFYSA-N 1 0 371.441 2.584 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)[C@H](C)C1 ZINC000449990726 514456549 /nfs/dbraw/zinc/45/65/49/514456549.db2.gz XCZKLNOJLSTKLW-GDBMZVCRSA-N 1 0 371.441 2.583 20 5 FFBDRO [NH3+]C1(c2noc(-c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)n2)CCCCC1 ZINC000424344105 514460134 /nfs/dbraw/zinc/46/01/34/514460134.db2.gz KUVFSKTXXADNGR-UHFFFAOYSA-N 1 0 354.370 2.949 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H](c2ccc(C)cc2)[NH+](C)C)n1 ZINC000439159501 514502441 /nfs/dbraw/zinc/50/24/41/514502441.db2.gz JIGIIJYYNYUWQH-MRXNPFEDSA-N 1 0 358.398 2.800 20 5 FFBDRO Cc1cc(NC[C@]2([NH+](C)C)CCSC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000479459331 514592001 /nfs/dbraw/zinc/59/20/01/514592001.db2.gz XOYPHIACAXOCOD-GOSISDBHSA-N 1 0 373.482 2.631 20 5 FFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475309636 514612236 /nfs/dbraw/zinc/61/22/36/514612236.db2.gz XKCCESPKPMVFCN-INIZCTEOSA-N 1 0 354.410 2.645 20 5 FFBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]Cc1nc(-c2ccccn2)n[nH]1)C1CC1 ZINC000453375273 514614809 /nfs/dbraw/zinc/61/48/09/514614809.db2.gz WGJWJSZBKXXEIS-INIZCTEOSA-N 1 0 364.409 2.886 20 5 FFBDRO Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000507945415 514619237 /nfs/dbraw/zinc/61/92/37/514619237.db2.gz LTPYUGKEDUFZGG-OAHLLOKOSA-N 1 0 370.457 2.703 20 5 FFBDRO Cc1cc(C[NH+](C)C)cc(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)c1 ZINC000489095969 514707374 /nfs/dbraw/zinc/70/73/74/514707374.db2.gz KWUNOLDICXLAIL-UHFFFAOYSA-N 1 0 357.366 2.946 20 5 FFBDRO O=[N+]([O-])c1cnn(CCN2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c1 ZINC000475728400 514781098 /nfs/dbraw/zinc/78/10/98/514781098.db2.gz AKZHSCHQBDNUOW-FQEVSTJZSA-N 1 0 369.469 2.779 20 5 FFBDRO O=C1c2ccccc2CCN1CC[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000466904700 514820289 /nfs/dbraw/zinc/82/02/89/514820289.db2.gz NLAGIFSONFVVQD-YVMONPNESA-N 1 0 351.406 2.896 20 5 FFBDRO Cc1nn(Cc2ccc(C(=O)NCCCC[NH+](C)C)cc2)c(C)c1[N+](=O)[O-] ZINC000498342460 514872132 /nfs/dbraw/zinc/87/21/32/514872132.db2.gz DKPHCSKWNUGUKE-UHFFFAOYSA-N 1 0 373.457 2.528 20 5 FFBDRO CC(C)[N@@H+]1CCCN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000498493454 514929052 /nfs/dbraw/zinc/92/90/52/514929052.db2.gz JNDQBNUMWXKHFE-UHFFFAOYSA-N 1 0 368.865 2.916 20 5 FFBDRO CCC[N@@H+]1CC[C@@H](CNc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])C1 ZINC000480419969 514950873 /nfs/dbraw/zinc/95/08/73/514950873.db2.gz NEOGYFYPIYRDDW-AWEZNQCLSA-N 1 0 371.441 2.703 20 5 FFBDRO COc1c(C(=O)N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000476310137 514994449 /nfs/dbraw/zinc/99/44/49/514994449.db2.gz UKMBMLZRWHSLAG-GOEBONIOSA-N 1 0 369.421 2.996 20 5 FFBDRO [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000471772844 515007023 /nfs/dbraw/zinc/00/70/23/515007023.db2.gz PFVCSCLNVUHUMF-NVXWUHKLSA-N 1 0 356.426 2.735 20 5 FFBDRO C[NH+](C)[C@H](CNc1ncnc2cccc([N+](=O)[O-])c21)c1cccc(F)c1 ZINC000509068508 515009019 /nfs/dbraw/zinc/00/90/19/515009019.db2.gz NRHZSTSFTROYDW-MRXNPFEDSA-N 1 0 355.373 2.814 20 5 FFBDRO C[C@H]1CCCN(c2ccc(C(=O)N3CC[N@H+](C)CC[C@H]3C)cc2[N+](=O)[O-])C1 ZINC000498705637 515032365 /nfs/dbraw/zinc/03/23/65/515032365.db2.gz ITAIVZWCIDWYJH-JKSUJKDBSA-N 1 0 374.485 2.997 20 5 FFBDRO CCOC(=O)[C@@]1(COC)CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000467550646 515045212 /nfs/dbraw/zinc/04/52/12/515045212.db2.gz MCTQQWJCVGCQES-SFHVURJKSA-N 1 0 350.415 2.695 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000456324518 515092254 /nfs/dbraw/zinc/09/22/54/515092254.db2.gz XOCWYOLLJFDIAP-HLVVYCRESA-N 1 0 367.833 2.757 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)CC[NH+](C(C)C)C(C)C)c1C ZINC000503982273 515189867 /nfs/dbraw/zinc/18/98/67/515189867.db2.gz LRUWZWATILCBKF-UHFFFAOYSA-N 1 0 371.503 2.951 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])C[C@H]1C ZINC000481057239 515190319 /nfs/dbraw/zinc/19/03/19/515190319.db2.gz KGXDYLUPCCJQCX-HUUCEWRRSA-N 1 0 369.487 2.705 20 5 FFBDRO C[C@@H](CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)[N@@H+]1CCC[C@H](C)C1 ZINC000485824627 515204939 /nfs/dbraw/zinc/20/49/39/515204939.db2.gz ZWSLRBVJPVKRQN-RYUDHWBXSA-N 1 0 355.385 2.652 20 5 FFBDRO C[C@H](C(=O)NC(C)(C)C)N(C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000485857192 515220116 /nfs/dbraw/zinc/22/01/16/515220116.db2.gz IQHKYQQKOJXWBZ-GFCCVEGCSA-N 1 0 360.414 2.985 20 5 FFBDRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)COc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000509531887 515221600 /nfs/dbraw/zinc/22/16/00/515221600.db2.gz GTOXLHXDKUGNIN-NVXWUHKLSA-N 1 0 369.421 2.925 20 5 FFBDRO CC[C@@H](C)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000456537534 515243834 /nfs/dbraw/zinc/24/38/34/515243834.db2.gz WNSXQTXHHUUMQJ-LLVKDONJSA-N 1 0 357.357 2.753 20 5 FFBDRO CCOc1cc(C(=O)N2CC[NH+]([C@@H](C)CC)CC2)c([N+](=O)[O-])cc1OC ZINC000456548133 515249227 /nfs/dbraw/zinc/24/92/27/515249227.db2.gz JVUAGRSOCHLQFD-ZDUSSCGKSA-N 1 0 365.430 2.558 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NCCCCC[NH+]1CCCC1 ZINC000454130892 515258253 /nfs/dbraw/zinc/25/82/53/515258253.db2.gz HUQLZGVRNLLMCL-UHFFFAOYSA-N 1 0 350.419 2.991 20 5 FFBDRO CC(C)O[C@H]1C[C@@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000462848962 515268328 /nfs/dbraw/zinc/26/83/28/515268328.db2.gz ZMIJIRSSKRPLCH-CVEARBPZSA-N 1 0 370.471 2.550 20 5 FFBDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000472491301 515291270 /nfs/dbraw/zinc/29/12/70/515291270.db2.gz AVLRDZJBODVPCI-HUUCEWRRSA-N 1 0 370.453 2.820 20 5 FFBDRO CC(C)[NH+](CCN(C)C(=O)NCCc1cccc([N+](=O)[O-])c1)C(C)C ZINC000504420576 515303044 /nfs/dbraw/zinc/30/30/44/515303044.db2.gz XIAVACBXPFLTOT-UHFFFAOYSA-N 1 0 350.463 2.898 20 5 FFBDRO O=C(NC1CC[NH+](C2CCC2)CC1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000456687859 515352827 /nfs/dbraw/zinc/35/28/27/515352827.db2.gz XYTGQFBZZRWNDH-UHFFFAOYSA-N 1 0 369.368 2.943 20 5 FFBDRO Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)COc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000509988875 515393140 /nfs/dbraw/zinc/39/31/40/515393140.db2.gz JBIQOWUOIBJSKR-QGZVFWFLSA-N 1 0 369.421 2.673 20 5 FFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)CCS(C)(=O)=O ZINC000504900184 515405416 /nfs/dbraw/zinc/40/54/16/515405416.db2.gz STRFHICRCOSIQX-CHWSQXEVSA-N 1 0 360.501 2.878 20 5 FFBDRO CCOc1cc(N2CC[NH+](CCc3ccccn3)CC2)ccc1[N+](=O)[O-] ZINC000481776513 515463442 /nfs/dbraw/zinc/46/34/42/515463442.db2.gz IHFDUYOHHXHINU-UHFFFAOYSA-N 1 0 356.426 2.753 20 5 FFBDRO C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000481793547 515469920 /nfs/dbraw/zinc/46/99/20/515469920.db2.gz KKWMTEZKDDGUMM-PKOBYXMFSA-N 1 0 364.405 2.904 20 5 FFBDRO CC[C@H](C)[NH2+][C@H](CNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccco1 ZINC000510363078 515516096 /nfs/dbraw/zinc/51/60/96/515516096.db2.gz KKPIBXDGDOIKIG-QWHCGFSZSA-N 1 0 367.427 2.596 20 5 FFBDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000486527717 515525500 /nfs/dbraw/zinc/52/55/00/515525500.db2.gz DRFUKDNWBOELGM-GFCCVEGCSA-N 1 0 355.385 2.748 20 5 FFBDRO COc1cc(C[N@@H+]2CCC[C@@H](c3nncn3C3CC3)C2)ccc1[N+](=O)[O-] ZINC000492828502 515565562 /nfs/dbraw/zinc/56/55/62/515565562.db2.gz JDPVGYFEHIQEBL-CQSZACIVSA-N 1 0 357.414 2.909 20 5 FFBDRO COc1cc(C[N@@H+]2CC[C@H]3[C@@H](CCC(=O)N3C3CC3)C2)ccc1[N+](=O)[O-] ZINC000492831438 515566833 /nfs/dbraw/zinc/56/68/33/515566833.db2.gz NVSOCSVKSPQONR-HOCLYGCPSA-N 1 0 359.426 2.579 20 5 FFBDRO O=C(CC[N@@H+](CCO)[C@@H]1CCc2ccccc21)Nc1ccccc1[N+](=O)[O-] ZINC000500069637 515580253 /nfs/dbraw/zinc/58/02/53/515580253.db2.gz JGYZKTYOJXZGTD-GOSISDBHSA-N 1 0 369.421 2.905 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000469005230 515626394 /nfs/dbraw/zinc/62/63/94/515626394.db2.gz NDPAPBLYMGGVLP-UHFFFAOYSA-N 1 0 369.487 2.707 20 5 FFBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@H](c1ccccc1)C1(CO)CCCC1 ZINC000459542067 515633501 /nfs/dbraw/zinc/63/35/01/515633501.db2.gz LDGLOCRVDXBXJZ-LJQANCHMSA-N 1 0 371.437 2.640 20 5 FFBDRO O=[N+]([O-])c1cc2ccccc2nc1NCC1([NH+]2CCCC2)CCOCC1 ZINC000473512835 515642265 /nfs/dbraw/zinc/64/22/65/515642265.db2.gz IKTZAJDWBAOQSE-UHFFFAOYSA-N 1 0 356.426 2.622 20 5 FFBDRO COc1cc(C[NH2+][C@H]2CCO[C@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000493763612 515662163 /nfs/dbraw/zinc/66/21/63/515662163.db2.gz IJUXXWBMPHHFRF-PWSUYJOCSA-N 1 0 360.357 2.904 20 5 FFBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000457120093 515665590 /nfs/dbraw/zinc/66/55/90/515665590.db2.gz NQBRWMPCTLDPCB-MRXNPFEDSA-N 1 0 371.441 2.550 20 5 FFBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3C[C@H](C)[NH2+]C[C@H]3C)cc2[N+](=O)[O-])C1 ZINC000505850290 515697121 /nfs/dbraw/zinc/69/71/21/515697121.db2.gz FZAAXMNOHJIVNL-XUWVNRHRSA-N 1 0 374.485 2.900 20 5 FFBDRO Cc1ccc(C)c(S(=O)(=O)NCC[NH+](C(C)C)C(C)C)c1[N+](=O)[O-] ZINC000478170836 515725868 /nfs/dbraw/zinc/72/58/68/515725868.db2.gz HJZGIGWMHWTKTR-UHFFFAOYSA-N 1 0 357.476 2.609 20 5 FFBDRO O=C(CC(F)(F)F)NC[C@@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000511062990 515763435 /nfs/dbraw/zinc/76/34/35/515763435.db2.gz GDCILBYSYXRAOL-AWEZNQCLSA-N 1 0 373.375 2.918 20 5 FFBDRO CCOC[C@H]1CCCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000459721953 515770311 /nfs/dbraw/zinc/77/03/11/515770311.db2.gz UJMMQAKRNKKMQM-OAHLLOKOSA-N 1 0 365.430 2.823 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CN(Cc2ccccc2)CCO1 ZINC000511119762 515789914 /nfs/dbraw/zinc/78/99/14/515789914.db2.gz JXVFQYWPFLBPNL-SFHVURJKSA-N 1 0 369.421 2.534 20 5 FFBDRO C[C@H](C[N@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C ZINC000459808455 515822290 /nfs/dbraw/zinc/82/22/90/515822290.db2.gz OWISYXUYBKGMAO-OLZOCXBDSA-N 1 0 365.430 2.831 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+]C/C=C/c2ccccc2)cc1[N+](=O)[O-] ZINC000473991259 515834324 /nfs/dbraw/zinc/83/43/24/515834324.db2.gz YKYOVIHTMYBUEG-VMPITWQZSA-N 1 0 356.378 2.950 20 5 FFBDRO Cc1ccsc1[C@H](CO)[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000494652828 515910335 /nfs/dbraw/zinc/91/03/35/515910335.db2.gz XOHAWVVAFNCTFX-LBPRGKRZSA-N 1 0 369.830 2.880 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000494679474 515920347 /nfs/dbraw/zinc/92/03/47/515920347.db2.gz FJLGEAISPKKKCE-QGZVFWFLSA-N 1 0 369.421 2.998 20 5 FFBDRO COC(=O)[C@H]1CCCC[C@]1(C)[NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000464688814 515924924 /nfs/dbraw/zinc/92/49/24/515924924.db2.gz IRAHDGUHJDPECQ-PXAZEXFGSA-N 1 0 354.378 2.954 20 5 FFBDRO CC[N@@H+]1CCCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000501079596 515969968 /nfs/dbraw/zinc/96/99/68/515969968.db2.gz ARICHTJMVASBQA-UHFFFAOYSA-N 1 0 371.235 2.917 20 5 FFBDRO C[NH+]1CCC(CNC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000501087443 515973105 /nfs/dbraw/zinc/97/31/05/515973105.db2.gz SZZBDEWYWSGXFH-UHFFFAOYSA-N 1 0 371.235 2.821 20 5 FFBDRO CCOC(=O)C1(COC)CC[NH+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000483221309 515993142 /nfs/dbraw/zinc/99/31/42/515993142.db2.gz YWVNNAQRELLQLH-CQSZACIVSA-N 1 0 350.415 2.948 20 5 FFBDRO COc1cc(C(=O)N(CC[NH+](C)C)c2ccccc2)c([N+](=O)[O-])cc1F ZINC000460060464 516002421 /nfs/dbraw/zinc/00/24/21/516002421.db2.gz KKZCLPNIMDHMJF-UHFFFAOYSA-N 1 0 361.373 2.951 20 5 FFBDRO Cc1c(CNC(=O)NCc2cccc(C[NH+](C)C)c2)cccc1[N+](=O)[O-] ZINC000478923736 516010761 /nfs/dbraw/zinc/01/07/61/516010761.db2.gz ILBVPEKZESUHJV-UHFFFAOYSA-N 1 0 356.426 2.964 20 5 FFBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000501212277 516017750 /nfs/dbraw/zinc/01/77/50/516017750.db2.gz QSFHVBKYYFZSNW-HNNXBMFYSA-N 1 0 368.865 2.964 20 5 FFBDRO COc1c(C(=O)NCCC[N@H+](C)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000474390593 516026137 /nfs/dbraw/zinc/02/61/37/516026137.db2.gz LHEJOOVCBYUNTD-UHFFFAOYSA-N 1 0 357.410 2.855 20 5 FFBDRO CCc1cc(NCCC[NH+]2CCCC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000507105638 516091139 /nfs/dbraw/zinc/09/11/39/516091139.db2.gz VGBJQQJRQHYHRP-UHFFFAOYSA-N 1 0 355.442 2.934 20 5 FFBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000488075356 516107386 /nfs/dbraw/zinc/10/73/86/516107386.db2.gz OKSGYIPEDQKAIL-HUUCEWRRSA-N 1 0 366.849 2.717 20 5 FFBDRO CC(C)[C@H]1CN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1C ZINC000488083088 516109990 /nfs/dbraw/zinc/10/99/90/516109990.db2.gz YVZUBHVWHNWPAX-BLLLJJGKSA-N 1 0 368.865 2.847 20 5 FFBDRO C[C@H](CO)[N@@H+]1CCCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000470135465 516136081 /nfs/dbraw/zinc/13/60/81/516136081.db2.gz UILLMSXRXZVFSG-OAHLLOKOSA-N 1 0 359.426 2.743 20 5 FFBDRO C[NH+](C)CCN(Cc1ccccn1)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470140856 516139961 /nfs/dbraw/zinc/13/99/61/516139961.db2.gz MGISKRJDCBSYMV-UHFFFAOYSA-N 1 0 361.377 2.725 20 5 FFBDRO CC1=CCC[C@@H](C)[C@@H]1C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000479435582 516191906 /nfs/dbraw/zinc/19/19/06/516191906.db2.gz GKLKQSRSABZSGJ-RHSMWYFYSA-N 1 0 352.456 2.951 20 5 FFBDRO CCC[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC)CC[N@@H+]1CCOC ZINC000501771408 516219764 /nfs/dbraw/zinc/21/97/64/516219764.db2.gz FVJKDZPDPOXZFV-KRWDZBQOSA-N 1 0 351.447 2.536 20 5 FFBDRO CCOCCCNC(=O)C1CC[NH+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000488440696 516226173 /nfs/dbraw/zinc/22/61/73/516226173.db2.gz QGZPOEIKDZBUFZ-OAHLLOKOSA-N 1 0 363.458 2.911 20 5 FFBDRO COc1ccc(-c2ccc(C[NH+]3C[C@@H](OC)[C@H](OC)C3)o2)c([N+](=O)[O-])c1 ZINC000488564287 516262534 /nfs/dbraw/zinc/26/25/34/516262534.db2.gz VFVKHAQYWAAGGV-QZTJIDSGSA-N 1 0 362.382 2.709 20 5 FFBDRO CCC[C@@H]1CN(c2ncnc3sc([N+](=O)[O-])cc32)CC[N@@H+]1CCOC ZINC000557609306 516333926 /nfs/dbraw/zinc/33/39/26/516333926.db2.gz DKYDPYPPCBYOIX-GFCCVEGCSA-N 1 0 365.459 2.537 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@H]1C ZINC000535383501 516334984 /nfs/dbraw/zinc/33/49/84/516334984.db2.gz CJWIJJGCCGTMPC-HIFRSBDPSA-N 1 0 358.442 2.950 20 5 FFBDRO CN(CCC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])c1cc[nH+]cc1 ZINC000543712919 516383549 /nfs/dbraw/zinc/38/35/49/516383549.db2.gz VGZRZNPRBNGOBE-UHFFFAOYSA-N 1 0 362.817 2.828 20 5 FFBDRO CC[NH+](CC)CC[C@@H](CO)Nc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000550736120 516402362 /nfs/dbraw/zinc/40/23/62/516402362.db2.gz AFOVBUYEOXIGMJ-JTQLQIEISA-N 1 0 350.341 2.513 20 5 FFBDRO [NH3+][C@@H]1CN(C(=O)NCc2cccc([N+](=O)[O-])c2)CC[C@H]1c1ccc(F)cc1 ZINC000561151758 516410014 /nfs/dbraw/zinc/41/00/14/516410014.db2.gz SUSWCPQXJOQEMP-ZWKOTPCHSA-N 1 0 372.400 2.760 20 5 FFBDRO COC(=O)c1cc(C)nc(N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000561157827 516415682 /nfs/dbraw/zinc/41/56/82/516415682.db2.gz XGLZCCUOJWLWBM-DGCLKSJQSA-N 1 0 350.419 2.617 20 5 FFBDRO Cc1cc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)ccc1-c1ccccc1 ZINC000517733992 516431219 /nfs/dbraw/zinc/43/12/19/516431219.db2.gz NZVKHDAZAZPQLB-LJQANCHMSA-N 1 0 366.421 2.917 20 5 FFBDRO CCc1ccc([C@@H](CNC(=O)c2nn(C)cc2[N+](=O)[O-])[NH+](CC)CC)cc1 ZINC000554453030 516443484 /nfs/dbraw/zinc/44/34/84/516443484.db2.gz QQAVWESEUFHHPW-MRXNPFEDSA-N 1 0 373.457 2.704 20 5 FFBDRO CC(C)[NH+]1CCC(N(C)C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000557877429 516484180 /nfs/dbraw/zinc/48/41/80/516484180.db2.gz PRSXJFSKKKPOKL-UHFFFAOYSA-N 1 0 371.441 2.725 20 5 FFBDRO C[NH+](C)C[C@@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000557955950 516522076 /nfs/dbraw/zinc/52/20/76/516522076.db2.gz SSNRAMIKXSZULP-QGZVFWFLSA-N 1 0 361.373 2.532 20 5 FFBDRO C[NH+]1CCN(Cc2ccc(NC(=O)c3ccc(F)cc3[N+](=O)[O-])cc2)CC1 ZINC000531558760 516525535 /nfs/dbraw/zinc/52/55/35/516525535.db2.gz MDIRLWZMRFKNIL-UHFFFAOYSA-N 1 0 372.400 2.734 20 5 FFBDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000531607030 516550782 /nfs/dbraw/zinc/55/07/82/516550782.db2.gz XCPJBBWNIGKHJN-GJZGRUSLSA-N 1 0 370.453 2.820 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)CSc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000544047915 516556882 /nfs/dbraw/zinc/55/68/82/516556882.db2.gz SNTVBOPHMPAGNZ-KBPBESRZSA-N 1 0 351.472 2.876 20 5 FFBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccc3c(c2)OCO3)cc1[N+](=O)[O-] ZINC000540476477 516573615 /nfs/dbraw/zinc/57/36/15/516573615.db2.gz VRVMFAZEEZKEFG-GFCCVEGCSA-N 1 0 357.366 2.921 20 5 FFBDRO Cn1cnc2cc(C[N@@H+]3CC[C@H](Nc4ccc([N+](=O)[O-])cn4)C3)ccc21 ZINC000540481848 516574413 /nfs/dbraw/zinc/57/44/13/516574413.db2.gz NYJVTFHKTGSXOB-AWEZNQCLSA-N 1 0 352.398 2.563 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCC[C@H](C)[NH+]2CCCCC2)c1C ZINC000544187977 516633456 /nfs/dbraw/zinc/63/34/56/516633456.db2.gz LKDHUEREKMRMGR-AWEZNQCLSA-N 1 0 369.487 2.754 20 5 FFBDRO C[C@@H]1CN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC[N@@H+](C2CCC2)C1 ZINC000561536043 516637366 /nfs/dbraw/zinc/63/73/66/516637366.db2.gz ROESXQGJHISUEN-HNNXBMFYSA-N 1 0 370.453 2.882 20 5 FFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000558260604 516668044 /nfs/dbraw/zinc/66/80/44/516668044.db2.gz ZZKWEGJRJMOHQW-KDOFPFPSSA-N 1 0 357.410 2.505 20 5 FFBDRO C[NH+](C)CCN(Cc1ccccc1)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000536230595 516688970 /nfs/dbraw/zinc/68/89/70/516688970.db2.gz DAKIFJNJNZZNLR-UHFFFAOYSA-N 1 0 370.453 2.911 20 5 FFBDRO C[C@@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000548067184 516737920 /nfs/dbraw/zinc/73/79/20/516737920.db2.gz UGEIKORKZDFMCJ-AWEZNQCLSA-N 1 0 367.405 2.802 20 5 FFBDRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000551536893 516749370 /nfs/dbraw/zinc/74/93/70/516749370.db2.gz JXXSZCBSPZDNMY-LJQANCHMSA-N 1 0 371.437 2.955 20 5 FFBDRO Cn1cnc([N+](=O)[O-])c1N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000536494973 516788771 /nfs/dbraw/zinc/78/87/71/516788771.db2.gz ZOKGCSSXMOAJQL-UHFFFAOYSA-N 1 0 355.442 2.821 20 5 FFBDRO COc1nc(C)cc(C)c1C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000561866808 516807822 /nfs/dbraw/zinc/80/78/22/516807822.db2.gz JZZNCOQSTKVQMB-AWEZNQCLSA-N 1 0 357.414 2.697 20 5 FFBDRO C[C@@H](CCC(F)(F)F)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000544573881 516818835 /nfs/dbraw/zinc/81/88/35/516818835.db2.gz AIBOQKZODVITSQ-JTQLQIEISA-N 1 0 354.350 2.689 20 5 FFBDRO O=C(C[NH2+][C@H](CO)C1CCCCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000541053654 516847572 /nfs/dbraw/zinc/84/75/72/516847572.db2.gz JBZWVSISEVTOIA-OAHLLOKOSA-N 1 0 355.822 2.718 20 5 FFBDRO Cc1ccc2c(c1)nc(C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])n2C ZINC000519144188 516900065 /nfs/dbraw/zinc/90/00/65/516900065.db2.gz PBESITZKKGEXAH-UHFFFAOYSA-N 1 0 367.409 2.908 20 5 FFBDRO C[NH+](C)CCN(CC1CCCCC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000544843870 516955853 /nfs/dbraw/zinc/95/58/53/516955853.db2.gz YDWYCHCLGBVEPF-UHFFFAOYSA-N 1 0 369.487 2.727 20 5 FFBDRO CC(C)[C@@H]1CCCC[C@@H]1[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000536858081 516957193 /nfs/dbraw/zinc/95/71/93/516957193.db2.gz OHQFBAURSZPADK-GJZGRUSLSA-N 1 0 369.487 2.678 20 5 FFBDRO CN(C(=O)c1ccc([N+](=O)[O-])cn1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000532458655 516989976 /nfs/dbraw/zinc/98/99/76/516989976.db2.gz UKRDRZCQSVHWQA-UHFFFAOYSA-N 1 0 370.409 2.741 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C[C@H]1C ZINC000525396029 517029376 /nfs/dbraw/zinc/02/93/76/517029376.db2.gz KRAKLPRVNUDROD-KDOFPFPSSA-N 1 0 371.441 2.725 20 5 FFBDRO Cc1c(-c2nc(-c3ccnc(OCC[NH+](C)C)c3)no2)cccc1[N+](=O)[O-] ZINC000545051354 517034169 /nfs/dbraw/zinc/03/41/69/517034169.db2.gz CPMHQRQAMZPJLA-UHFFFAOYSA-N 1 0 369.381 2.956 20 5 FFBDRO COc1ccc(OCC[N@@H+]2CCC[C@](CO)(C(C)C)C2)c([N+](=O)[O-])c1 ZINC000555711889 517079129 /nfs/dbraw/zinc/07/91/29/517079129.db2.gz CUYGLPWJYOEWKQ-SFHVURJKSA-N 1 0 352.431 2.713 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2cc([N+](=O)[O-])ccc2OC)C[C@H]1C ZINC000541525054 517094332 /nfs/dbraw/zinc/09/43/32/517094332.db2.gz WEWAJIPSKXKSAW-HIFRSBDPSA-N 1 0 364.446 2.618 20 5 FFBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000562477710 517133885 /nfs/dbraw/zinc/13/38/85/517133885.db2.gz NNGIJRPYYMMTJF-DUVNUKRYSA-N 1 0 357.414 2.874 20 5 FFBDRO C[C@]1(CCCO)CCC[N@@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000537411382 517175326 /nfs/dbraw/zinc/17/53/26/517175326.db2.gz NFUHQOXUFPSSCZ-GOSISDBHSA-N 1 0 363.414 2.520 20 5 FFBDRO COc1ccc(C[NH+](C)C)cc1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000515030560 517176741 /nfs/dbraw/zinc/17/67/41/517176741.db2.gz HVAKKCLUDYSJNG-UHFFFAOYSA-N 1 0 369.381 2.794 20 5 FFBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]CC1(N2CCOCC2)CC1 ZINC000515052982 517190283 /nfs/dbraw/zinc/19/02/83/517190283.db2.gz YJYFROUXVBLDSU-AEFFLSMTSA-N 1 0 359.470 2.760 20 5 FFBDRO CCc1ccc([C@@H](CNC(=O)c2c([N+](=O)[O-])cnn2C)[NH+](CC)CC)cc1 ZINC000515170860 517238397 /nfs/dbraw/zinc/23/83/97/517238397.db2.gz MLNMIERKHHTOAR-MRXNPFEDSA-N 1 0 373.457 2.704 20 5 FFBDRO CC[NH+](CC)CC1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000520166073 517286697 /nfs/dbraw/zinc/28/66/97/517286697.db2.gz RJOLYWCEAYEGCD-UHFFFAOYSA-N 1 0 363.458 2.944 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)n1 ZINC000541935116 517299219 /nfs/dbraw/zinc/29/92/19/517299219.db2.gz GOVPMIPYVVCHEP-IRXDYDNUSA-N 1 0 361.490 2.601 20 5 FFBDRO C[C@H]([NH2+]C1(CNC(=O)c2c[nH]nc2[N+](=O)[O-])CCCC1)c1ccccc1 ZINC000548943721 517318183 /nfs/dbraw/zinc/31/81/83/517318183.db2.gz WQPMFWXUOWWCHX-ZDUSSCGKSA-N 1 0 357.414 2.711 20 5 FFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@H]2CCCCS2(=O)=O)o1 ZINC000542312037 517496894 /nfs/dbraw/zinc/49/68/94/517496894.db2.gz RVVANZIMTSZGCU-CQSZACIVSA-N 1 0 364.423 2.912 20 5 FFBDRO COc1ccc(COC[C@@H](O)C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000538279069 517537738 /nfs/dbraw/zinc/53/77/38/517537738.db2.gz ITTKLLJXGVNKKD-HOCLYGCPSA-N 1 0 360.410 2.832 20 5 FFBDRO COc1ccc2c(c1)CCC[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C2 ZINC000556686086 517570818 /nfs/dbraw/zinc/57/08/18/517570818.db2.gz MHTMUKDUGLBXSN-SFHVURJKSA-N 1 0 372.421 2.792 20 5 FFBDRO CCOc1cc(C[NH2+][C@@H]2CCC[C@@H]3CN(C(C)=O)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000516111698 517571735 /nfs/dbraw/zinc/57/17/35/517571735.db2.gz BEKFQEQYCCWEGV-IXDOHACOSA-N 1 0 361.442 2.730 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000542744742 517715030 /nfs/dbraw/zinc/71/50/30/517715030.db2.gz IETPOWHUPMYGRC-UKRRQHHQSA-N 1 0 369.487 2.562 20 5 FFBDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000546565840 517728462 /nfs/dbraw/zinc/72/84/62/517728462.db2.gz RPRWOVMYEGOMTM-ZDUSSCGKSA-N 1 0 351.422 2.812 20 5 FFBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1cccc(Br)c1 ZINC000534138421 517759281 /nfs/dbraw/zinc/75/92/81/517759281.db2.gz PTPBQBYOVJNERS-UHFFFAOYSA-N 1 0 366.215 2.651 20 5 FFBDRO C[NH+](C)CCN(Cc1ccccn1)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000534245959 517804224 /nfs/dbraw/zinc/80/42/24/517804224.db2.gz HPGBSBGQEGFTKC-UHFFFAOYSA-N 1 0 367.409 2.675 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000521769651 517850048 /nfs/dbraw/zinc/85/00/48/517850048.db2.gz FNKCTWHSTMVGJZ-NEPJUHHUSA-N 1 0 367.833 2.616 20 5 FFBDRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000539082819 517907429 /nfs/dbraw/zinc/90/74/29/517907429.db2.gz JKUSHVWOGZPCQZ-ZACQAIPSSA-N 1 0 366.483 2.861 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC000543139139 517929398 /nfs/dbraw/zinc/92/93/98/517929398.db2.gz LUYJITCBVWPTCP-SFHVURJKSA-N 1 0 372.421 2.920 20 5 FFBDRO COc1cc(C[NH2+]C[C@H](CO)C2CCCCC2)c([N+](=O)[O-])cc1OC ZINC000550275044 517966882 /nfs/dbraw/zinc/96/68/82/517966882.db2.gz OHZKBUCBCBHURJ-OAHLLOKOSA-N 1 0 352.431 2.890 20 5 FFBDRO CC[NH+](CC)C[C@@H](C)NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000522184873 518022394 /nfs/dbraw/zinc/02/23/94/518022394.db2.gz OVTXGXMHTQKBCV-NEPJUHHUSA-N 1 0 357.838 2.862 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)c1 ZINC000534797001 518036653 /nfs/dbraw/zinc/03/66/53/518036653.db2.gz IWCBICILMYULKM-HOTGVXAUSA-N 1 0 357.410 2.651 20 5 FFBDRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000560804658 518036826 /nfs/dbraw/zinc/03/68/26/518036826.db2.gz AXVPNDPUUONXSE-UHFFFAOYSA-N 1 0 361.398 2.547 20 5 FFBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCCCS2(=O)=O)cc1[N+](=O)[O-] ZINC000543428643 518084368 /nfs/dbraw/zinc/08/43/68/518084368.db2.gz BVIWOYPUPZHZGS-TZMCWYRMSA-N 1 0 356.444 2.611 20 5 FFBDRO COc1cc(C[NH2+]CCSCC(F)(F)F)c([N+](=O)[O-])cc1OC ZINC000539528982 518091530 /nfs/dbraw/zinc/09/15/30/518091530.db2.gz WQNLKDZLGGVKOX-UHFFFAOYSA-N 1 0 354.350 2.997 20 5 FFBDRO CC(C)n1cc([C@H](C)[NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)cn1 ZINC000543503945 518120847 /nfs/dbraw/zinc/12/08/47/518120847.db2.gz SIHZFXDKBNEMEH-ZDUSSCGKSA-N 1 0 357.414 2.612 20 5 FFBDRO Cc1n[nH]c(C(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000522528568 518121071 /nfs/dbraw/zinc/12/10/71/518121071.db2.gz FBEYMFZHUKORJF-CYBMUJFWSA-N 1 0 357.414 2.582 20 5 FFBDRO CCSc1cc(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)ccn1 ZINC000563805523 518133164 /nfs/dbraw/zinc/13/31/64/518133164.db2.gz JBUXRPNLRCUVLV-HNNXBMFYSA-N 1 0 363.439 2.631 20 5 FFBDRO CN(C(=O)c1cc([N+](=O)[O-])cn1C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000563871199 518209370 /nfs/dbraw/zinc/20/93/70/518209370.db2.gz HFRRGRCMQFIKGR-UHFFFAOYSA-N 1 0 356.426 2.670 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CCc2ccc3[nH]ccc3c2)c1 ZINC000578500348 518240577 /nfs/dbraw/zinc/24/05/77/518240577.db2.gz XJOWNMFEOQYKTM-QGZVFWFLSA-N 1 0 355.394 2.648 20 5 FFBDRO CC(C)C[C@@H]1C[C@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000581365853 518250676 /nfs/dbraw/zinc/25/06/76/518250676.db2.gz PKQZPTGFWCRFFG-GDBMZVCRSA-N 1 0 370.471 2.552 20 5 FFBDRO CC(C)N(CC[NH+](C)C)C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000584384486 518311885 /nfs/dbraw/zinc/31/18/85/518311885.db2.gz ORBQCHYCUZMBDB-UHFFFAOYSA-N 1 0 361.446 2.600 20 5 FFBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H]1CN(c2ccccc2)CCO1 ZINC000569821834 518311879 /nfs/dbraw/zinc/31/18/79/518311879.db2.gz DNGVAXWVQJEGKR-FQEVSTJZSA-N 1 0 355.438 2.975 20 5 FFBDRO Cn1nc([N+](=O)[O-])cc1-c1nc(-c2ccc(C[NH+]3CCCC3)cc2)no1 ZINC000564206458 518350680 /nfs/dbraw/zinc/35/06/80/518350680.db2.gz LEJWKDNQKHUKIA-UHFFFAOYSA-N 1 0 354.370 2.641 20 5 FFBDRO CC[NH+]1CCC(CNc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])CC1 ZINC000564238851 518363945 /nfs/dbraw/zinc/36/39/45/518363945.db2.gz ROLZDABYSPBBBO-UHFFFAOYSA-N 1 0 371.441 2.703 20 5 FFBDRO CCC[C@H]1C[NH2+]CCN1Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000564331236 518402525 /nfs/dbraw/zinc/40/25/25/518402525.db2.gz UTUAYLLJJQNBDP-LBPRGKRZSA-N 1 0 359.373 2.779 20 5 FFBDRO CC1(C)CN(C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)CC[NH2+]1 ZINC000576146812 518451604 /nfs/dbraw/zinc/45/16/04/518451604.db2.gz DPRYYQTUCGVKCK-UHFFFAOYSA-N 1 0 371.387 2.784 20 5 FFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CO)C1CCOCC1 ZINC000581845089 518464259 /nfs/dbraw/zinc/46/42/59/518464259.db2.gz LFIGEJTVHPXTDR-GJZGRUSLSA-N 1 0 354.472 2.843 20 5 FFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CN(Cc3ccccc3)CC[C@H]2CO)cc1 ZINC000576194427 518473173 /nfs/dbraw/zinc/47/31/73/518473173.db2.gz CLOZVSFDNAZLSQ-ICSRJNTNSA-N 1 0 355.438 2.567 20 5 FFBDRO Cc1c(CNC(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)cccc1[N+](=O)[O-] ZINC000573036211 518475522 /nfs/dbraw/zinc/47/55/22/518475522.db2.gz DOCZNRWFRGNGET-GOSISDBHSA-N 1 0 368.437 2.827 20 5 FFBDRO COCC[C@@]1([NH2+]CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CCOC1 ZINC000570273497 518527806 /nfs/dbraw/zinc/52/78/06/518527806.db2.gz DJZUATYMEUAAPI-GOSISDBHSA-N 1 0 361.398 2.578 20 5 FFBDRO O=C(CC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)Nc1ccccc1 ZINC000581983125 518529850 /nfs/dbraw/zinc/52/98/50/518529850.db2.gz XLTMRGNAFXEBLF-CVEARBPZSA-N 1 0 357.414 2.893 20 5 FFBDRO COC(=O)c1cc(C)nc(N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000579154210 518546457 /nfs/dbraw/zinc/54/64/57/518546457.db2.gz XLVSUTXSHGAQOS-MBNYWOFBSA-N 1 0 364.446 2.863 20 5 FFBDRO CC(C)(C)[C@@H]1C[C@@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000579228609 518583384 /nfs/dbraw/zinc/58/33/84/518583384.db2.gz USQNFOTUIOORNR-QRTARXTBSA-N 1 0 352.431 2.518 20 5 FFBDRO CC(C)C(CN(CC[NH3+])c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])C(C)C ZINC000573288394 518593414 /nfs/dbraw/zinc/59/34/14/518593414.db2.gz YRYGQUMSYBKTDA-UHFFFAOYSA-N 1 0 371.503 2.692 20 5 FFBDRO CC[NH+]1C[C@H](C)N(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000564753687 518597779 /nfs/dbraw/zinc/59/77/79/518597779.db2.gz GDFJLMDWBDALBV-QWRGUYRKSA-N 1 0 370.247 2.912 20 5 FFBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CC[C@H](c2cccnc2)C1 ZINC000573320658 518609980 /nfs/dbraw/zinc/60/99/80/518609980.db2.gz DMEHHNIXEZESCM-HNNXBMFYSA-N 1 0 368.393 2.777 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@H]2CCOC3(CCCCC3)C2)c1 ZINC000567605391 518611120 /nfs/dbraw/zinc/61/11/20/518611120.db2.gz QWEQSUFHKWEJEZ-RDJZCZTQSA-N 1 0 364.442 2.806 20 5 FFBDRO CN(CCC[NH+](C)C)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000585808481 518613811 /nfs/dbraw/zinc/61/38/11/518613811.db2.gz YICVIAKJQIVFKI-UHFFFAOYSA-N 1 0 359.224 2.773 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CCCC[C@@H]2CC[NH3+])cc1SC ZINC000564839222 518643765 /nfs/dbraw/zinc/64/37/65/518643765.db2.gz FYTKQGDBIRPYPK-LLVKDONJSA-N 1 0 353.444 2.669 20 5 FFBDRO CCc1nn(C)c(N2CCN(c3cc[nH+]c4ccccc43)CC2)c1[N+](=O)[O-] ZINC000579362705 518645116 /nfs/dbraw/zinc/64/51/16/518645116.db2.gz YDCIKYXONZYSGB-UHFFFAOYSA-N 1 0 366.425 2.766 20 5 FFBDRO COc1cccc([C@@H]2C[C@H]2C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000564857089 518657386 /nfs/dbraw/zinc/65/73/86/518657386.db2.gz IRWMPAUCOOGRQI-KNBMTAEXSA-N 1 0 372.421 2.736 20 5 FFBDRO CC[C@H](CC(F)(F)F)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000564872211 518667088 /nfs/dbraw/zinc/66/70/88/518667088.db2.gz FPUPRZSNSJORSI-SNVBAGLBSA-N 1 0 354.350 2.689 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](O)Cc1cccc(Cl)c1 ZINC000582296045 518684549 /nfs/dbraw/zinc/68/45/49/518684549.db2.gz JVPBIRRNXFHFJX-INIZCTEOSA-N 1 0 350.802 2.950 20 5 FFBDRO O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000573478604 518685315 /nfs/dbraw/zinc/68/53/15/518685315.db2.gz QLRIWIUUCXZEPR-MSOLQXFVSA-N 1 0 371.441 2.545 20 5 FFBDRO C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)C[N@@H+]1C1CC1 ZINC000582311529 518692461 /nfs/dbraw/zinc/69/24/61/518692461.db2.gz PCEAFIZSXZNNDI-CHWSQXEVSA-N 1 0 364.421 2.608 20 5 FFBDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000564948353 518709984 /nfs/dbraw/zinc/70/99/84/518709984.db2.gz FFTFXRVEQVWOBI-HWPZZCPQSA-N 1 0 371.387 2.687 20 5 FFBDRO C[N@@H+]1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)C[C@H]1Cc1ccccc1 ZINC000588053403 518711281 /nfs/dbraw/zinc/71/12/81/518711281.db2.gz KTLHEJXOGFLYCJ-QGZVFWFLSA-N 1 0 363.421 2.901 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]Cc1nc2ccccc2s1 ZINC000579519896 518719791 /nfs/dbraw/zinc/71/97/91/518719791.db2.gz VMYKGCGPBOYMEV-GFCCVEGCSA-N 1 0 359.407 2.734 20 5 FFBDRO COc1cc(CN2CC[NH2+]C[C@H]2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000564969066 518720182 /nfs/dbraw/zinc/72/01/82/518720182.db2.gz BQIJZAFBFCWGMR-OAHLLOKOSA-N 1 0 371.437 2.976 20 5 FFBDRO Cc1c(NC(=O)N[C@H](C)C[C@H](C)[NH3+])cc(Br)cc1[N+](=O)[O-] ZINC000564972761 518723426 /nfs/dbraw/zinc/72/34/26/518723426.db2.gz YQPAIEGGBQWZQR-JGVFFNPUSA-N 1 0 359.224 2.913 20 5 FFBDRO CC(=O)NCC[N@@H+](C)Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000564990965 518733615 /nfs/dbraw/zinc/73/36/15/518733615.db2.gz RNRKMFGNCQBUAI-UHFFFAOYSA-N 1 0 356.426 2.931 20 5 FFBDRO O=C(CC[NH2+][C@@H]1COc2ccc(F)cc2C1)Nc1ccccc1[N+](=O)[O-] ZINC000570711407 518742854 /nfs/dbraw/zinc/74/28/54/518742854.db2.gz ODPOSIANENMYQO-AWEZNQCLSA-N 1 0 359.357 2.656 20 5 FFBDRO C[C@@H](Cn1ncc2ccccc2c1=O)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000582430560 518750739 /nfs/dbraw/zinc/75/07/39/518750739.db2.gz APEDBVOPAMMAQO-SCLBCKFNSA-N 1 0 364.405 2.970 20 5 FFBDRO CCC(CC)[C@@H]1C[C@@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000570795301 518784232 /nfs/dbraw/zinc/78/42/32/518784232.db2.gz WHPHGSBEIXPVJD-FCEWJHQRSA-N 1 0 366.458 2.908 20 5 FFBDRO C[C@@H]1[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000588771271 518825682 /nfs/dbraw/zinc/82/56/82/518825682.db2.gz QSRVJIABOBWDMP-DNVCBOLYSA-N 1 0 353.422 2.917 20 5 FFBDRO CC(C)OCCC[N@H+](C)CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000568078945 518863896 /nfs/dbraw/zinc/86/38/96/518863896.db2.gz TUHKGQLYHUIRGN-UHFFFAOYSA-N 1 0 351.403 2.640 20 5 FFBDRO CCOC(=O)c1cc(C(=O)NCc2ccc([C@@H](C)[NH3+])cc2)cc([N+](=O)[O-])c1 ZINC000577175629 518950303 /nfs/dbraw/zinc/95/03/03/518950303.db2.gz FISXCDVSMHTUSP-GFCCVEGCSA-N 1 0 371.393 2.721 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@H]2CCOc3c(F)cccc32)c1 ZINC000574033808 518955635 /nfs/dbraw/zinc/95/56/35/518955635.db2.gz MIUQGJGZNNYABZ-GUYCJALGSA-N 1 0 362.357 2.587 20 5 FFBDRO COC(=O)c1cc(C)nc(N[C@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000582919208 518986108 /nfs/dbraw/zinc/98/61/08/518986108.db2.gz WJQOCVUZBJKSHE-HNNXBMFYSA-N 1 0 370.409 2.771 20 5 FFBDRO CC[NH+]1C[C@H](C)N(C(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000565504868 518987668 /nfs/dbraw/zinc/98/76/68/518987668.db2.gz JHKRISHRRVFMFG-RWMBFGLXSA-N 1 0 369.849 2.957 20 5 FFBDRO COC(=O)CCC1CC[NH+](Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])CC1 ZINC000589498259 519017865 /nfs/dbraw/zinc/01/78/65/519017865.db2.gz RXRZBNUPOFZFJR-UHFFFAOYSA-N 1 0 364.398 2.547 20 5 FFBDRO C[N@@H+]1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H]1Cc1ccccc1 ZINC000583100594 519076955 /nfs/dbraw/zinc/07/69/55/519076955.db2.gz RMAAOHKZVCRUJN-MRXNPFEDSA-N 1 0 351.410 2.834 20 5 FFBDRO O=[N+]([O-])c1cnc2ccccc2c1N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000589859449 519094603 /nfs/dbraw/zinc/09/46/03/519094603.db2.gz HTSSCNUKXBBCAZ-HNNXBMFYSA-N 1 0 356.426 2.834 20 5 FFBDRO CC(C)(CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)C[NH+]1CCCC1 ZINC000568556465 519098775 /nfs/dbraw/zinc/09/87/75/519098775.db2.gz CBTPEGFHHPTNBW-UHFFFAOYSA-N 1 0 355.385 2.654 20 5 FFBDRO C[C@H](CN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000565732696 519104904 /nfs/dbraw/zinc/10/49/04/519104904.db2.gz VXHQVZUKNREQFF-CRAIPNDOSA-N 1 0 357.458 2.739 20 5 FFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000565778041 519128187 /nfs/dbraw/zinc/12/81/87/519128187.db2.gz NRWMANNDXLCVAH-PBHICJAKSA-N 1 0 368.437 2.817 20 5 FFBDRO COC(=O)[C@@H](C)Oc1ccc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])cc1 ZINC000583290437 519170829 /nfs/dbraw/zinc/17/08/29/519170829.db2.gz WETPNZRTSOMYOH-CQSZACIVSA-N 1 0 373.409 2.500 20 5 FFBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)[C@H]1n1cccn1 ZINC000590196266 519171819 /nfs/dbraw/zinc/17/18/19/519171819.db2.gz IKFLNBAQCFRMBD-ARFHVFGLSA-N 1 0 350.806 2.953 20 5 FFBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@@H](C)C1 ZINC000574473718 519171883 /nfs/dbraw/zinc/17/18/83/519171883.db2.gz FZTPMPAMXGDTQG-VEVIJQCQSA-N 1 0 356.426 2.878 20 5 FFBDRO Cc1cccc2[nH]cc(CC[NH2+]C[C@@H](O)COc3ccccc3[N+](=O)[O-])c21 ZINC000565887438 519180690 /nfs/dbraw/zinc/18/06/90/519180690.db2.gz QKYLAIQQOPFRSS-MRXNPFEDSA-N 1 0 369.421 2.957 20 5 FFBDRO Cn1c2ccccc2nc1CCN1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000580487396 519199488 /nfs/dbraw/zinc/19/94/88/519199488.db2.gz UVDAANJDEMKXNF-UHFFFAOYSA-N 1 0 352.394 2.919 20 5 FFBDRO C[C@H]1CCCN(c2ccc(C(=O)N3CCC4(C[NH+](C)C4)C3)cc2[N+](=O)[O-])C1 ZINC000590335414 519203449 /nfs/dbraw/zinc/20/34/49/519203449.db2.gz GQXCFGYVNORDGN-HNNXBMFYSA-N 1 0 372.469 2.609 20 5 FFBDRO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cn2)CC[N@H+](Cc2ccccc2)C1 ZINC000565935664 519205371 /nfs/dbraw/zinc/20/53/71/519205371.db2.gz BRPRZDBXPIZCLT-OAHLLOKOSA-N 1 0 354.410 2.584 20 5 FFBDRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000568769069 519205938 /nfs/dbraw/zinc/20/59/38/519205938.db2.gz PNUJEELVKPJHSA-GOSISDBHSA-N 1 0 371.437 2.873 20 5 FFBDRO C[NH+]1CCC2(CCN(C(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)C2)CC1 ZINC000590375961 519209320 /nfs/dbraw/zinc/20/93/20/519209320.db2.gz ROBBMWHCVLKUJT-UHFFFAOYSA-N 1 0 372.469 2.753 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C1CCN(c2ccccc2)CC1 ZINC000565972972 519222491 /nfs/dbraw/zinc/22/24/91/519222491.db2.gz PTJSOXIHFTYAMQ-SFHVURJKSA-N 1 0 371.437 2.593 20 5 FFBDRO COC(=O)c1ccnc(NC[C@H](c2ccco2)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000590568323 519268888 /nfs/dbraw/zinc/26/88/88/519268888.db2.gz CKMZHMFTZWJBNO-CYBMUJFWSA-N 1 0 360.370 2.618 20 5 FFBDRO Nc1ccc(N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)nc1[N+](=O)[O-] ZINC000590572424 519269900 /nfs/dbraw/zinc/26/99/00/519269900.db2.gz MZLMECMUEREPCU-UHFFFAOYSA-N 1 0 361.833 2.938 20 5 FFBDRO O=[N+]([O-])c1cc(N2CC[NH+](C3CCOCC3)CC2)ccc1C(F)(F)F ZINC000590585837 519274937 /nfs/dbraw/zinc/27/49/37/519274937.db2.gz TWMXCAIVDGFOMQ-UHFFFAOYSA-N 1 0 359.348 2.915 20 5 FFBDRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000590632603 519296637 /nfs/dbraw/zinc/29/66/37/519296637.db2.gz JSZYERYQAMMZCF-LBPRGKRZSA-N 1 0 357.332 2.828 20 5 FFBDRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000590632602 519296725 /nfs/dbraw/zinc/29/67/25/519296725.db2.gz JSZYERYQAMMZCF-GFCCVEGCSA-N 1 0 357.332 2.828 20 5 FFBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+][C@@H]1CCO[C@@H](c3cccnc3)C1)OCCO2 ZINC000590659653 519305829 /nfs/dbraw/zinc/30/58/29/519305829.db2.gz PLOWPWODWQONNI-NVXWUHKLSA-N 1 0 371.393 2.771 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H]2C[C@H]2c2cccc(F)c2)cc1 ZINC000568976109 519312947 /nfs/dbraw/zinc/31/29/47/519312947.db2.gz SPTZFUZZOKAHHU-IRXDYDNUSA-N 1 0 364.398 2.653 20 5 FFBDRO CC(C)[C@H](C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000566129110 519319655 /nfs/dbraw/zinc/31/96/55/519319655.db2.gz WJEIHVQWQBBYRL-IRXDYDNUSA-N 1 0 366.849 2.835 20 5 FFBDRO O=C([C@@H]1C[NH2+]Cc2ccccc21)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000571915759 519345575 /nfs/dbraw/zinc/34/55/75/519345575.db2.gz YRQNHNRTMDUZMX-GOSISDBHSA-N 1 0 351.406 2.973 20 5 FFBDRO CCOc1cc(C[NH+]2CCC([C@H]3NC(=O)C3(C)C)CC2)ccc1[N+](=O)[O-] ZINC000574888239 519385488 /nfs/dbraw/zinc/38/54/88/519385488.db2.gz RCKJJFMQCFGFSV-QGZVFWFLSA-N 1 0 361.442 2.730 20 5 FFBDRO CS[C@@H]1CCC[C@@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000571993731 519385852 /nfs/dbraw/zinc/38/58/52/519385852.db2.gz HKONDNMBBYFMHA-TZMCWYRMSA-N 1 0 358.485 2.632 20 5 FFBDRO COc1c(C(=O)N(C)CCC[N@H+](C)Cc2ccncc2)cccc1[N+](=O)[O-] ZINC000574921178 519405793 /nfs/dbraw/zinc/40/57/93/519405793.db2.gz OLWZBGACWWTCIO-UHFFFAOYSA-N 1 0 372.425 2.593 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC[C@@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)n1 ZINC000574933658 519412304 /nfs/dbraw/zinc/41/23/04/519412304.db2.gz BLKNABGOMXHOIT-HZSPNIEDSA-N 1 0 362.430 2.618 20 5 FFBDRO Cc1ccc(C)c(S(=O)(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]2)c1[N+](=O)[O-] ZINC000575029922 519460394 /nfs/dbraw/zinc/46/03/94/519460394.db2.gz WNNMGHKZRNKXKP-CABCVRRESA-N 1 0 367.471 2.507 20 5 FFBDRO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000591016064 519477746 /nfs/dbraw/zinc/47/77/46/519477746.db2.gz OLRHIDSJYDBRHZ-QGZVFWFLSA-N 1 0 357.414 2.802 20 5 FFBDRO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccccc1-n1ccnn1 ZINC000581087781 519516946 /nfs/dbraw/zinc/51/69/46/519516946.db2.gz XRCOZLZRDGYQBT-AWEZNQCLSA-N 1 0 353.382 2.905 20 5 FFBDRO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000569384564 519523313 /nfs/dbraw/zinc/52/33/13/519523313.db2.gz XGLRQNLRRNVIQB-CYBMUJFWSA-N 1 0 367.396 2.892 20 5 FFBDRO CN1CCC([N@@H+]2CC[C@H](Nc3nccc4ccc([N+](=O)[O-])cc43)C2)CC1 ZINC000591147590 519529939 /nfs/dbraw/zinc/52/99/39/519529939.db2.gz RKWWOEAEBORHFX-HNNXBMFYSA-N 1 0 355.442 2.723 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCCC[C@H]1CC[NH3+] ZINC000581126254 519535794 /nfs/dbraw/zinc/53/57/94/519535794.db2.gz ZPGOHASKTGQYLN-AAEUAGOBSA-N 1 0 355.822 2.745 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](O)COc1ccc(Cl)cc1 ZINC000569450140 519554953 /nfs/dbraw/zinc/55/49/53/519554953.db2.gz UXXXIIWYASKEDM-HNNXBMFYSA-N 1 0 366.801 2.786 20 5 FFBDRO O=C(NC[C@H]1CCCC[NH2+]1)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000591306404 519582914 /nfs/dbraw/zinc/58/29/14/519582914.db2.gz MFGZCXNELWPIHR-SNVBAGLBSA-N 1 0 357.208 2.621 20 5 FFBDRO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N[C@H]1CCC[NH2+]CC1 ZINC000591306425 519582917 /nfs/dbraw/zinc/58/29/17/519582917.db2.gz WLUIKHGTHQJFGG-JTQLQIEISA-N 1 0 357.208 2.621 20 5 FFBDRO Cc1nc(C)c([C@@H](C)[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000581242410 519594959 /nfs/dbraw/zinc/59/49/59/519594959.db2.gz HZXVEFVBSFEXFQ-SNVBAGLBSA-N 1 0 369.468 2.793 20 5 FFBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]CC[C@@H]1COc3ccccc3O1)OCCO2 ZINC000591357228 519607287 /nfs/dbraw/zinc/60/72/87/519607287.db2.gz PBFJBCYWEMSGMZ-CQSZACIVSA-N 1 0 372.377 2.686 20 5 FFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000591402567 519617474 /nfs/dbraw/zinc/61/74/74/519617474.db2.gz WOVJQOBTBZMUSX-UKRRQHHQSA-N 1 0 359.348 2.649 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H](c2cccnc2)C1 ZINC000602856887 519930109 /nfs/dbraw/zinc/93/01/09/519930109.db2.gz STXWIYJJNHQBLB-DLBZAZTESA-N 1 0 357.410 2.609 20 5 FFBDRO C[N@@H+]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C(C)(C)C ZINC000602873294 519939838 /nfs/dbraw/zinc/93/98/38/519939838.db2.gz IRTUKFUYIYAXQI-OAHLLOKOSA-N 1 0 368.865 2.849 20 5 FFBDRO Cc1c(NC(=O)CC[N@H+]2CCN(C)[C@@H](C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000602873238 519940826 /nfs/dbraw/zinc/94/08/26/519940826.db2.gz ICMRPOQAXLFAQC-QGZVFWFLSA-N 1 0 362.474 2.894 20 5 FFBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599973157 519979791 /nfs/dbraw/zinc/97/97/91/519979791.db2.gz QPCGWSCSEKEYTF-MWLCHTKSSA-N 1 0 356.220 2.522 20 5 FFBDRO Cc1cccc(CN(CC[NH+](C)C)C(=O)Nc2c(C)cncc2[N+](=O)[O-])c1 ZINC000602953632 519990684 /nfs/dbraw/zinc/99/06/84/519990684.db2.gz BYXHSGOOKWJAHO-UHFFFAOYSA-N 1 0 371.441 2.624 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1C ZINC000594483930 519992270 /nfs/dbraw/zinc/99/22/70/519992270.db2.gz LFRNTHYRIAXOME-GJZGRUSLSA-N 1 0 367.471 2.507 20 5 FFBDRO COc1ccccc1[C@@H]([NH3+])CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000591681194 519996569 /nfs/dbraw/zinc/99/65/69/519996569.db2.gz WOZRCQBPTVEZAN-INIZCTEOSA-N 1 0 357.410 2.697 20 5 FFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000591685120 519996602 /nfs/dbraw/zinc/99/66/02/519996602.db2.gz RYCJVTVKWBVHKC-UHFFFAOYSA-N 1 0 353.422 2.872 20 5 FFBDRO O=C(Nc1cnc2c(c1)C[NH2+]CC2)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000591681311 519997104 /nfs/dbraw/zinc/99/71/04/519997104.db2.gz DSKVYYWEZDWLDT-UHFFFAOYSA-N 1 0 366.299 2.907 20 5 FFBDRO NC(=O)c1ccccc1N1CC[C@@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000594494946 520002303 /nfs/dbraw/zinc/00/23/03/520002303.db2.gz INVIWTITIQWELS-DYVFJYSZSA-N 1 0 366.421 2.550 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]C1CCN([C@H]2CCOC2)CC1 ZINC000594504540 520006447 /nfs/dbraw/zinc/00/64/47/520006447.db2.gz JDLGZVSBZXQSNQ-INIZCTEOSA-N 1 0 353.850 2.634 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+][C@H]2C[C@H](OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000594517219 520011715 /nfs/dbraw/zinc/01/17/15/520011715.db2.gz IITCONNJNOCCIJ-HDJSIYSDSA-N 1 0 366.414 2.582 20 5 FFBDRO CC(C)(C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000591753799 520023393 /nfs/dbraw/zinc/02/33/93/520023393.db2.gz KSQLFDMKHVULCQ-YOEHRIQHSA-N 1 0 352.431 2.519 20 5 FFBDRO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N[C@H]1CC12CC[NH2+]CC2 ZINC000597440870 520029249 /nfs/dbraw/zinc/02/92/49/520029249.db2.gz NYLLYKAYBLWRAI-ZDUSSCGKSA-N 1 0 372.347 2.555 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CC2(C3CCC3)CCC2)cc1 ZINC000591771127 520032616 /nfs/dbraw/zinc/03/26/16/520032616.db2.gz KZFCCWPEXGHXGR-UHFFFAOYSA-N 1 0 352.456 2.929 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCCN(c2cc[nH+]cc2)CC1 ZINC000603083393 520068855 /nfs/dbraw/zinc/06/88/55/520068855.db2.gz LTPKKNACPRWIPF-UHFFFAOYSA-N 1 0 354.410 2.959 20 5 FFBDRO Cc1cccc(CC2C[NH+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])C2)c1 ZINC000612676889 520084126 /nfs/dbraw/zinc/08/41/26/520084126.db2.gz PUVFFGXGLVXGEE-GOSISDBHSA-N 1 0 356.422 2.817 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[NH+]2C[C@H](O)[C@@H](O)C2)cc1 ZINC000600193178 520112846 /nfs/dbraw/zinc/11/28/46/520112846.db2.gz XBIKDVTXDWBWQP-HOTGVXAUSA-N 1 0 364.785 2.578 20 5 FFBDRO COc1ccc(CN[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000594739306 520125271 /nfs/dbraw/zinc/12/52/71/520125271.db2.gz UKNIDHOUDUWCGK-IAGOWNOFSA-N 1 0 359.401 2.978 20 5 FFBDRO CCc1cc(NCC[N@@H+](CC)C2CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000608788496 520127338 /nfs/dbraw/zinc/12/73/38/520127338.db2.gz WIAGRNKWRPQCFY-UHFFFAOYSA-N 1 0 355.442 2.932 20 5 FFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N(CCCc1ccccc1)CC[NH+](C)C ZINC000608879367 520154265 /nfs/dbraw/zinc/15/42/65/520154265.db2.gz ZHFSIUZGTBMEOH-UHFFFAOYSA-N 1 0 370.453 2.935 20 5 FFBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(Cn2cc(C[C@H]3CCC[NH2+]C3)nn2)c1 ZINC000603230581 520169593 /nfs/dbraw/zinc/16/95/93/520169593.db2.gz DDMYAFCGMNRNAQ-LLVKDONJSA-N 1 0 369.347 2.796 20 5 FFBDRO Cc1ccc(NC(=O)c2ccc(N3C[C@@H]4C[NH2+]C[C@H]4C3)c([N+](=O)[O-])c2)cc1 ZINC000608972825 520170265 /nfs/dbraw/zinc/17/02/65/520170265.db2.gz OWUOTAXOSZGIDG-HOTGVXAUSA-N 1 0 366.421 2.811 20 5 FFBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000597695973 520180524 /nfs/dbraw/zinc/18/05/24/520180524.db2.gz APMYMQSLORNIEM-SKDRFNHKSA-N 1 0 356.220 2.522 20 5 FFBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000597701616 520187276 /nfs/dbraw/zinc/18/72/76/520187276.db2.gz VGSLCVZNCYQVHB-NVXWUHKLSA-N 1 0 374.485 2.996 20 5 FFBDRO Cc1ccc(S(=O)(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000594854454 520190601 /nfs/dbraw/zinc/19/06/01/520190601.db2.gz LGSIZZJMXMHDAO-AWEZNQCLSA-N 1 0 367.471 2.589 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)cc1SC ZINC000609135316 520201657 /nfs/dbraw/zinc/20/16/57/520201657.db2.gz DZNVOGQOIYJYQJ-GFCCVEGCSA-N 1 0 367.471 2.928 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)C2CC[NH+](C)CC2)cc1SC ZINC000609136022 520202806 /nfs/dbraw/zinc/20/28/06/520202806.db2.gz IWKMYJJXHZPNEG-NSHDSACASA-N 1 0 367.471 2.785 20 5 FFBDRO CC(C)[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000592153988 520230173 /nfs/dbraw/zinc/23/01/73/520230173.db2.gz FBHJZXRZVOHXPQ-GOSISDBHSA-N 1 0 357.458 2.776 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000609204325 520231426 /nfs/dbraw/zinc/23/14/26/520231426.db2.gz GREDJQIVNXKBGA-UHFFFAOYSA-N 1 0 362.430 2.670 20 5 FFBDRO CC(C)[C@@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C1(CO)CC=CC1 ZINC000592178252 520247171 /nfs/dbraw/zinc/24/71/71/520247171.db2.gz QBCIZTRRJHEFJU-GOSISDBHSA-N 1 0 361.442 2.501 20 5 FFBDRO CN(CCC[N@H+](C)Cc1ccncc1)c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000603400121 520248098 /nfs/dbraw/zinc/24/80/98/520248098.db2.gz KKCWUZJPLPRIDV-UHFFFAOYSA-N 1 0 366.425 2.891 20 5 FFBDRO C[C@@H]1CC2(C[N@@H+]1[C@@H]1CCN(c3cccc([N+](=O)[O-])c3)C1=O)CCOCC2 ZINC000592183921 520248802 /nfs/dbraw/zinc/24/88/02/520248802.db2.gz LFJILTUSDNKZTN-RHSMWYFYSA-N 1 0 359.426 2.591 20 5 FFBDRO CC(C)(C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)[C@@]1(O)CCCOC1 ZINC000594997490 520249332 /nfs/dbraw/zinc/24/93/32/520249332.db2.gz XGMQYZLZQVEYLG-QGZVFWFLSA-N 1 0 374.384 2.854 20 5 FFBDRO C[C@H]1COCC[N@@H+]1C1CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000603403886 520249525 /nfs/dbraw/zinc/24/95/25/520249525.db2.gz WNHGIWSITJOZAR-AWEZNQCLSA-N 1 0 356.426 2.833 20 5 FFBDRO COc1ccc(CC(=O)N(C)CCCC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000603405688 520250678 /nfs/dbraw/zinc/25/06/78/520250678.db2.gz DCWYROZGOQPZLD-UHFFFAOYSA-N 1 0 363.458 2.870 20 5 FFBDRO CN(CCCC[NH+]1CCCCC1)c1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000603423247 520258868 /nfs/dbraw/zinc/25/88/68/520258868.db2.gz NFNJMBDFULAHKZ-UHFFFAOYSA-N 1 0 359.430 2.946 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H](O)COc1ccc(F)cc1 ZINC000595017238 520259030 /nfs/dbraw/zinc/25/90/30/520259030.db2.gz KVWGZBOESGVMTA-IUODEOHRSA-N 1 0 364.373 2.833 20 5 FFBDRO C[N@H+](CCn1cc(Br)c([N+](=O)[O-])n1)Cc1ccc(F)cc1 ZINC000612998688 520263232 /nfs/dbraw/zinc/26/32/32/520263232.db2.gz AQYSWXZKKVKIGX-UHFFFAOYSA-N 1 0 357.183 2.825 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCCN(c2cc(C)nn2C)C1 ZINC000595048925 520269297 /nfs/dbraw/zinc/26/92/97/520269297.db2.gz SOAVRWJSEQQQME-LSDHHAIUSA-N 1 0 373.457 2.965 20 5 FFBDRO Cn1ccnc1[C@H](NC[C@@H]1CC[N@@H+]1C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000595050609 520269413 /nfs/dbraw/zinc/26/94/13/520269413.db2.gz SREDMIIONOYHMM-DLBZAZTESA-N 1 0 357.458 2.880 20 5 FFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCC[C@H]([S@@](C)=O)C1 ZINC000595059610 520274642 /nfs/dbraw/zinc/27/46/42/520274642.db2.gz FRMKOPHRZDIPSQ-GZVDBTBWSA-N 1 0 367.471 2.591 20 5 FFBDRO O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000600470129 520278717 /nfs/dbraw/zinc/27/87/17/520278717.db2.gz GDFKXORVNTUXQM-KRWDZBQOSA-N 1 0 369.425 2.527 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000597854660 520283908 /nfs/dbraw/zinc/28/39/08/520283908.db2.gz KYLOGXJOFKQLCH-AWEZNQCLSA-N 1 0 371.441 2.631 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000597859591 520286552 /nfs/dbraw/zinc/28/65/52/520286552.db2.gz VSGYGINELXBMJD-INIZCTEOSA-N 1 0 374.485 2.800 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CC2(O)CCC(F)(F)CC2)n1 ZINC000595093735 520291628 /nfs/dbraw/zinc/29/16/28/520291628.db2.gz OSBLESMGCZUCCL-CHWSQXEVSA-N 1 0 358.389 2.805 20 5 FFBDRO NC(=O)CC1(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCCCC1 ZINC000595099898 520292915 /nfs/dbraw/zinc/29/29/15/520292915.db2.gz QBVYVLVWLHVVAN-CABCVRRESA-N 1 0 363.462 2.691 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000597873694 520297682 /nfs/dbraw/zinc/29/76/82/520297682.db2.gz LYFAJSVKGGUMAU-UHFFFAOYSA-N 1 0 361.442 2.524 20 5 FFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)cc1 ZINC000613063887 520298994 /nfs/dbraw/zinc/29/89/94/520298994.db2.gz GOGMRHIJWURMHK-PZJWPPBQSA-N 1 0 369.465 2.610 20 5 FFBDRO CC(C)[NH2+][C@@H]1CCCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000609386600 520299947 /nfs/dbraw/zinc/29/99/47/520299947.db2.gz YJLBNMQDAISGCF-GFCCVEGCSA-N 1 0 354.838 2.649 20 5 FFBDRO O=C(NCC[NH+]1CCCCCC1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000603572138 520310426 /nfs/dbraw/zinc/31/04/26/520310426.db2.gz NUNDFWHANAVEHH-UHFFFAOYSA-N 1 0 374.485 2.803 20 5 FFBDRO CCOc1cc(C(=O)NCC[NH+]2CCCCCC2)c([N+](=O)[O-])cc1OC ZINC000603572159 520310508 /nfs/dbraw/zinc/31/05/08/520310508.db2.gz OWKUYXZPVJQVFY-UHFFFAOYSA-N 1 0 365.430 2.608 20 5 FFBDRO CC(C)[C@@H](CNC(=O)COc1cccc([N+](=O)[O-])c1)[NH+]1CCC(C)CC1 ZINC000603612315 520327625 /nfs/dbraw/zinc/32/76/25/520327625.db2.gz BNNFSHZJYYHMNV-GOSISDBHSA-N 1 0 363.458 2.846 20 5 FFBDRO CCN(C(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C)C1 ZINC000597944069 520342751 /nfs/dbraw/zinc/34/27/51/520342751.db2.gz BXIXLWMPDLXIKQ-DOTOQJQBSA-N 1 0 374.485 2.997 20 5 FFBDRO CCN(C(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CC[N@H+](C)C1 ZINC000597945578 520344952 /nfs/dbraw/zinc/34/49/52/520344952.db2.gz ITDLLUNPUSVAKO-DGCLKSJQSA-N 1 0 355.822 2.568 20 5 FFBDRO CCN(C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CC[N@H+](C)C1 ZINC000597945597 520345065 /nfs/dbraw/zinc/34/50/65/520345065.db2.gz JKZIBDDBMDKMEW-ZDUSSCGKSA-N 1 0 355.822 2.570 20 5 FFBDRO Cc1nn(Cc2ccc(-c3nc([C@H]4CCC[NH2+]4)no3)cc2)c(C)c1[N+](=O)[O-] ZINC000592356626 520347880 /nfs/dbraw/zinc/34/78/80/520347880.db2.gz BIHSZJMDBBMKSR-OAHLLOKOSA-N 1 0 368.397 2.931 20 5 FFBDRO CC(C)(C)OC(=O)C1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CCOCC1 ZINC000592374343 520355958 /nfs/dbraw/zinc/35/59/58/520355958.db2.gz MNPMNYGATZBDMI-UHFFFAOYSA-N 1 0 350.415 2.823 20 5 FFBDRO CC(C)[N@@H+]1CC[C@H](CNc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])C1 ZINC000609560654 520358769 /nfs/dbraw/zinc/35/87/69/520358769.db2.gz DVNUHFMQZVPZKD-CQSZACIVSA-N 1 0 371.441 2.702 20 5 FFBDRO C[C@@H]1C[NH+](CCCNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C[C@@H](C)O1 ZINC000603784738 520359170 /nfs/dbraw/zinc/35/91/70/520359170.db2.gz JYJMPGQXXZKQHF-CHWSQXEVSA-N 1 0 361.398 2.570 20 5 FFBDRO C[C@@H]1CCN(C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@@H]1[NH3+] ZINC000595229117 520362227 /nfs/dbraw/zinc/36/22/27/520362227.db2.gz RVQHCQDTZSBHJC-PWSUYJOCSA-N 1 0 374.363 2.611 20 5 FFBDRO C[C@@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000609583631 520366664 /nfs/dbraw/zinc/36/66/64/520366664.db2.gz STYJBNXFFSBBOR-CQSZACIVSA-N 1 0 360.458 2.655 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000609583480 520366978 /nfs/dbraw/zinc/36/69/78/520366978.db2.gz KQVQFTJYTFFNNX-RYUDHWBXSA-N 1 0 369.849 2.862 20 5 FFBDRO [NH3+]C[C@H]1CCCc2ccc(C(=O)NCCOc3ccc([N+](=O)[O-])cc3)cc21 ZINC000595254165 520373231 /nfs/dbraw/zinc/37/32/31/520373231.db2.gz UVRQFHLNHXCSAF-MRXNPFEDSA-N 1 0 369.421 2.782 20 5 FFBDRO CC[C@H]1CN(Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000592427652 520388211 /nfs/dbraw/zinc/38/82/11/520388211.db2.gz NJUMTADJDFZLPM-JQWIXIFHSA-N 1 0 359.373 2.764 20 5 FFBDRO CC(C)CNC(=O)CCC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000595329997 520411116 /nfs/dbraw/zinc/41/11/16/520411116.db2.gz GIURPTUVRRWXEO-UHFFFAOYSA-N 1 0 363.458 2.990 20 5 FFBDRO CCN(CC[NH3+])[C@@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000600722128 520424734 /nfs/dbraw/zinc/42/47/34/520424734.db2.gz YCEPDDVSEZUFHU-GOSISDBHSA-N 1 0 356.426 2.864 20 5 FFBDRO CC(C)(C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc2ccccc2c1 ZINC000600757162 520452406 /nfs/dbraw/zinc/45/24/06/520452406.db2.gz JUSJRXYLOCBFJT-IBGZPJMESA-N 1 0 368.437 2.873 20 5 FFBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592554169 520453858 /nfs/dbraw/zinc/45/38/58/520453858.db2.gz FMPCDGWFPXNQAI-JKSUJKDBSA-N 1 0 361.442 2.602 20 5 FFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592554178 520454484 /nfs/dbraw/zinc/45/44/84/520454484.db2.gz GKTLVVIVYTXKLW-HUUCEWRRSA-N 1 0 361.442 2.845 20 5 FFBDRO CCc1nocc1C[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000595433175 520468857 /nfs/dbraw/zinc/46/88/57/520468857.db2.gz PBMGXDXAFZGIRH-UHFFFAOYSA-N 1 0 370.413 2.734 20 5 FFBDRO Cc1cc(NC(=O)c2cc([N+](=O)[O-])c[nH]2)ccc1OCC[NH+]1CCCC1 ZINC000609887115 520469431 /nfs/dbraw/zinc/46/94/31/520469431.db2.gz QYXRUAYQGZVWPE-UHFFFAOYSA-N 1 0 358.398 2.958 20 5 FFBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N[C@H]3CCC[N@H+](C)C3)cc2[N+](=O)[O-])C1 ZINC000604198969 520483418 /nfs/dbraw/zinc/48/34/18/520483418.db2.gz NCPBBWDWEGDPGM-INMHGKMJSA-N 1 0 374.485 2.901 20 5 FFBDRO Cc1noc(CN2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1[N+](=O)[O-] ZINC000595480867 520498351 /nfs/dbraw/zinc/49/83/51/520498351.db2.gz AFEACQHCJLAICO-LJQANCHMSA-N 1 0 356.426 2.989 20 5 FFBDRO Cn1ccnc1C(=O)c1ccc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000604473160 520572191 /nfs/dbraw/zinc/57/21/91/520572191.db2.gz ONDMLVHQYFYVCL-LSDHHAIUSA-N 1 0 369.425 2.598 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@@H](CO)Cc1ccccc1 ZINC000595594559 520579661 /nfs/dbraw/zinc/57/96/61/520579661.db2.gz GBTBLZUNIOCJEB-GOSISDBHSA-N 1 0 371.437 2.767 20 5 FFBDRO C[C@@H]1C[C@H]1N1C[C@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1=O ZINC000610272796 520616544 /nfs/dbraw/zinc/61/65/44/520616544.db2.gz OJDHQHBTELIVAW-PBFPGSCMSA-N 1 0 355.394 2.954 20 5 FFBDRO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000601121990 520646787 /nfs/dbraw/zinc/64/67/87/520646787.db2.gz UHZYCVGMLINUCY-LLVKDONJSA-N 1 0 361.368 2.659 20 5 FFBDRO CCCC[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](C)c1ccc(C)o1 ZINC000610368245 520655092 /nfs/dbraw/zinc/65/50/92/520655092.db2.gz PYDQZVDCNOYKHN-HOCLYGCPSA-N 1 0 350.419 2.917 20 5 FFBDRO C[C@H]1c2ccccc2C[C@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000595706160 520662341 /nfs/dbraw/zinc/66/23/41/520662341.db2.gz HIIWUSVADKOWKQ-SCLBCKFNSA-N 1 0 360.435 2.687 20 5 FFBDRO C[C@@H](C[NH2+]Cc1csc([N+](=O)[O-])c1)c1ccc(S(C)(=O)=O)cc1 ZINC000601163367 520667833 /nfs/dbraw/zinc/66/78/33/520667833.db2.gz GZGZDDCFRVKKAA-NSHDSACASA-N 1 0 354.453 2.953 20 5 FFBDRO O=C(Cc1ccc(F)cc1[N+](=O)[O-])NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000593011695 520683101 /nfs/dbraw/zinc/68/31/01/520683101.db2.gz SHCZWPVIRGAZLI-INIZCTEOSA-N 1 0 361.373 2.823 20 5 FFBDRO CC[C@@H]1CN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000598532425 520683942 /nfs/dbraw/zinc/68/39/42/520683942.db2.gz XXHMEHDLRBGKFA-CMPLNLGQSA-N 1 0 357.863 2.939 20 5 FFBDRO COc1cc(C[N@@H+]2C[C@@H]3COC[C@@]3(C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000595756245 520701896 /nfs/dbraw/zinc/70/18/96/520701896.db2.gz FRMFUYJNALOUCD-SJKOYZFVSA-N 1 0 372.368 2.716 20 5 FFBDRO O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000598559429 520705905 /nfs/dbraw/zinc/70/59/05/520705905.db2.gz HHFRKMIDMBBVIP-AWEZNQCLSA-N 1 0 356.426 2.928 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H]1CCC[C@@H]1Cc1cnn(C)c1 ZINC000595770868 520713407 /nfs/dbraw/zinc/71/34/07/520713407.db2.gz OBJRPQFMIUHFDB-NVXWUHKLSA-N 1 0 371.441 2.576 20 5 FFBDRO CC(C)[C@@H]1CN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC[NH2+]1 ZINC000598569229 520714261 /nfs/dbraw/zinc/71/42/61/520714261.db2.gz BXVNMIDDLOKLFY-AWEZNQCLSA-N 1 0 360.439 2.788 20 5 FFBDRO CC[C@@H]1C[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)[C@H](CC)CO1 ZINC000593059752 520714866 /nfs/dbraw/zinc/71/48/66/520714866.db2.gz TWSGEXDKMJPDQE-UKRRQHHQSA-N 1 0 363.414 2.782 20 5 FFBDRO CC[C@@H]1CO[C@@H](CC)C[N@@H+]1CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000593059997 520715660 /nfs/dbraw/zinc/71/56/60/520715660.db2.gz VAWQTONCGXKLJK-KGLIPLIRSA-N 1 0 365.430 2.821 20 5 FFBDRO CC(C)(C)O[C@@H]1C[C@H]([NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C12CCC2 ZINC000595779129 520717966 /nfs/dbraw/zinc/71/79/66/520717966.db2.gz ZKUJSPPKMSVNDN-JKSUJKDBSA-N 1 0 361.442 2.910 20 5 FFBDRO C[N@@H+]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H](Cc2ccccc2)C1 ZINC000593089890 520736526 /nfs/dbraw/zinc/73/65/26/520736526.db2.gz VEIBIXJPHRVFRV-KRWDZBQOSA-N 1 0 365.437 2.830 20 5 FFBDRO CCC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)C1 ZINC000598603936 520737722 /nfs/dbraw/zinc/73/77/22/520737722.db2.gz IAYKBZPSKVEWKO-OAHLLOKOSA-N 1 0 369.487 2.564 20 5 FFBDRO CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)C1 ZINC000598603070 520737983 /nfs/dbraw/zinc/73/79/83/520737983.db2.gz GCOSBXWPTBCPJC-HNNXBMFYSA-N 1 0 369.487 2.564 20 5 FFBDRO COC(=O)c1ccnc(N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1[N+](=O)[O-] ZINC000598610158 520741138 /nfs/dbraw/zinc/74/11/38/520741138.db2.gz DZPRIRXFFFXPDS-OLZOCXBDSA-N 1 0 362.430 2.841 20 5 FFBDRO COC(=O)c1ccnc(N2CCC([NH2+]Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000598628955 520751778 /nfs/dbraw/zinc/75/17/78/520751778.db2.gz VQEQDVSDMVBTNM-UHFFFAOYSA-N 1 0 370.409 2.535 20 5 FFBDRO C[C@H]1C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCc2ccc(F)cc21 ZINC000593115670 520755470 /nfs/dbraw/zinc/75/54/70/520755470.db2.gz HVAFFFIEQSGEEU-LBPRGKRZSA-N 1 0 357.385 2.995 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000593118339 520757906 /nfs/dbraw/zinc/75/79/06/520757906.db2.gz QKCQPTVOQWRWEX-HNNXBMFYSA-N 1 0 355.341 2.663 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000593119419 520759121 /nfs/dbraw/zinc/75/91/21/520759121.db2.gz YHUDPPYXTKEVEZ-OAHLLOKOSA-N 1 0 355.341 2.663 20 5 FFBDRO CN(CCCC[NH+](C)C)C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000610668524 520786780 /nfs/dbraw/zinc/78/67/80/520786780.db2.gz DVZKDYLBHOVVFL-UHFFFAOYSA-N 1 0 372.263 2.700 20 5 FFBDRO C[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C[C@@H]1CCc2ccccc21 ZINC000595881542 520789554 /nfs/dbraw/zinc/78/95/54/520789554.db2.gz UAKQICNTEXQEFZ-DLBZAZTESA-N 1 0 356.422 2.996 20 5 FFBDRO C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C[C@@H]1CCc2ccccc21 ZINC000595881546 520789642 /nfs/dbraw/zinc/78/96/42/520789642.db2.gz UAKQICNTEXQEFZ-IRXDYDNUSA-N 1 0 356.422 2.996 20 5 FFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601446709 520790081 /nfs/dbraw/zinc/79/00/81/520790081.db2.gz AQPFDIILWLMOTE-CJNGLKHVSA-N 1 0 357.385 2.984 20 5 FFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601446710 520790428 /nfs/dbraw/zinc/79/04/28/520790428.db2.gz AQPFDIILWLMOTE-CZUORRHYSA-N 1 0 357.385 2.984 20 5 FFBDRO CCC1([NH+]2CCCC2)CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000601497261 520812922 /nfs/dbraw/zinc/81/29/22/520812922.db2.gz SMIBCHZVJPVWMZ-UHFFFAOYSA-N 1 0 373.500 2.685 20 5 FFBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000595935283 520832625 /nfs/dbraw/zinc/83/26/25/520832625.db2.gz IMNVMEOWFMAANJ-HNNXBMFYSA-N 1 0 359.348 2.576 20 5 FFBDRO CNc1ccc(C(=O)Nc2ccc(C[NH+](C)C)cc2OC)cc1[N+](=O)[O-] ZINC000601621969 520868747 /nfs/dbraw/zinc/86/87/47/520868747.db2.gz QJKVUDKDXCRTRD-UHFFFAOYSA-N 1 0 358.398 2.959 20 5 FFBDRO COc1ccc(CN2CC[C@H]([NH2+]CCc3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000596047154 520876401 /nfs/dbraw/zinc/87/64/01/520876401.db2.gz MPXIJUKJJWSVOV-IBGZPJMESA-N 1 0 369.421 2.537 20 5 FFBDRO NC(=O)c1cc(NCc2cccc(C[NH+]3CCCC3)c2)ccc1[N+](=O)[O-] ZINC000596077280 520898133 /nfs/dbraw/zinc/89/81/33/520898133.db2.gz UFBIIRPBQFLFDZ-UHFFFAOYSA-N 1 0 354.410 2.902 20 5 FFBDRO CC[NH+]1CCN([C@H](C)CNc2cc(OC)c([N+](=O)[O-])cc2Cl)CC1 ZINC000596078822 520898808 /nfs/dbraw/zinc/89/88/08/520898808.db2.gz UMUCAAQFANDFQE-GFCCVEGCSA-N 1 0 356.854 2.695 20 5 FFBDRO C[C@H](NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)C1CC[NH+](C)CC1 ZINC000610964204 520921298 /nfs/dbraw/zinc/92/12/98/520921298.db2.gz XUZMWGPHRRFSAY-AWEZNQCLSA-N 1 0 360.458 2.999 20 5 FFBDRO O=[N+]([O-])c1cncc(Cl)c1N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000596144653 520936901 /nfs/dbraw/zinc/93/69/01/520936901.db2.gz HLBBEIKJJAIFNP-UHFFFAOYSA-N 1 0 354.838 2.724 20 5 FFBDRO COC(=O)c1c(Cl)c(NC[C@]2([NH+](C)C)CCSC2)ccc1[N+](=O)[O-] ZINC000596150011 520939565 /nfs/dbraw/zinc/93/95/65/520939565.db2.gz TYHINOZPAOQTDZ-OAHLLOKOSA-N 1 0 373.862 2.884 20 5 FFBDRO COC(=O)c1c(Cl)c(N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000596160219 520945866 /nfs/dbraw/zinc/94/58/66/520945866.db2.gz BEXFBBZZSRQGTP-CABZTGNLSA-N 1 0 353.806 2.929 20 5 FFBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]C[C@@H]1Cc3ccccc3CO1)OCCO2 ZINC000598989327 520962595 /nfs/dbraw/zinc/96/25/95/520962595.db2.gz GKPGHXBYPDMJBM-INIZCTEOSA-N 1 0 356.378 2.597 20 5 FFBDRO C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCS1(=O)=O ZINC000599004195 520974982 /nfs/dbraw/zinc/97/49/82/520974982.db2.gz PXUPYGGERJNEER-IAQYHMDHSA-N 1 0 350.396 2.520 20 5 FFBDRO CC[N@@H+]1CCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000611092120 520980849 /nfs/dbraw/zinc/98/08/49/520980849.db2.gz JDHZPBLESAPXLX-VXGBXAGGSA-N 1 0 354.838 2.601 20 5 FFBDRO O=[N+]([O-])c1ccc(OCCC[NH2+][C@H]2CCCC[C@@H]2N2CCOCC2)cc1 ZINC000618308112 520990199 /nfs/dbraw/zinc/99/01/99/520990199.db2.gz SLHAUCBWAHWWBN-OALUTQOASA-N 1 0 363.458 2.597 20 5 FFBDRO COC(=O)c1cc(C)nc(N2CC[N@H+](C)C3(CCCCC3)C2)c1[N+](=O)[O-] ZINC000596251679 520995160 /nfs/dbraw/zinc/99/51/60/520995160.db2.gz WAOKMAYHVHASGS-UHFFFAOYSA-N 1 0 362.430 2.540 20 5 FFBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000611155702 521014913 /nfs/dbraw/zinc/01/49/13/521014913.db2.gz ORPSZMPQMHXHOT-SFHVURJKSA-N 1 0 360.458 2.797 20 5 FFBDRO CN1C(=O)c2ccccc2[C@@H]1C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000599075058 521018076 /nfs/dbraw/zinc/01/80/76/521018076.db2.gz ROLHBGFIPBVTTK-ZACQAIPSSA-N 1 0 369.425 2.692 20 5 FFBDRO CC(C)C[N@H+](C)CCCNc1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000593479349 521020868 /nfs/dbraw/zinc/02/08/68/521020868.db2.gz BGSQTHKUDSVKHU-UHFFFAOYSA-N 1 0 364.490 2.817 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNc1ccc([N+](=O)[O-])c(N2CCOCC2)c1F ZINC000596309473 521021914 /nfs/dbraw/zinc/02/19/14/521021914.db2.gz SCQPTKQUJMMZDU-CYBMUJFWSA-N 1 0 366.437 2.855 20 5 FFBDRO O=C(C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])Nc1ccc2c(c1)OCCO2 ZINC000599087279 521025159 /nfs/dbraw/zinc/02/51/59/521025159.db2.gz HWAMULHAWNXDPS-HNNXBMFYSA-N 1 0 369.377 2.582 20 5 FFBDRO CC(C)(C)Oc1cc(N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)ccc1[N+](=O)[O-] ZINC000611203188 521034690 /nfs/dbraw/zinc/03/46/90/521034690.db2.gz ORXLOHGVHZEFHW-RDJZCZTQSA-N 1 0 363.458 2.808 20 5 FFBDRO CN(C(=O)CN1CC[C@H](C[NH3+])c2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000601965630 521044601 /nfs/dbraw/zinc/04/46/01/521044601.db2.gz WXQSRXXVSYCMHY-CQSZACIVSA-N 1 0 354.410 2.510 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CC1([C@H]2CCCCO2)CCC1 ZINC000601970344 521048607 /nfs/dbraw/zinc/04/86/07/521048607.db2.gz WGYSAKUIWZWDLD-MAUKXSAKSA-N 1 0 364.442 2.664 20 5 FFBDRO CC1(C)C[NH2+]CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000601977873 521053137 /nfs/dbraw/zinc/05/31/37/521053137.db2.gz VEPUWSNPWYKOIT-SNVBAGLBSA-N 1 0 370.247 2.865 20 5 FFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)[C@H]1CN(C)CCO1 ZINC000611336970 521104713 /nfs/dbraw/zinc/10/47/13/521104713.db2.gz WPEOVZXFUKCYGZ-SQWLQELKSA-N 1 0 353.488 2.774 20 5 FFBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000599289199 521128957 /nfs/dbraw/zinc/12/89/57/521128957.db2.gz BHRCVAAVEWQXBV-JTQLQIEISA-N 1 0 356.220 2.524 20 5 FFBDRO O=C(CC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)N1CCCCCC1 ZINC000618570520 521130140 /nfs/dbraw/zinc/13/01/40/521130140.db2.gz OWMAXGBSGSIBDG-HOTGVXAUSA-N 1 0 363.462 2.657 20 5 FFBDRO CS(=O)(=O)c1ccc(NCC2CC[NH+](CC3CC3)CC2)c([N+](=O)[O-])c1 ZINC000596563145 521133587 /nfs/dbraw/zinc/13/35/87/521133587.db2.gz QOLZUMKWTVPZKC-UHFFFAOYSA-N 1 0 367.471 2.532 20 5 FFBDRO CCN(C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H]1CC[N@H+](C)C1 ZINC000596585184 521146520 /nfs/dbraw/zinc/14/65/20/521146520.db2.gz DYVLRRKUAOCENE-CYBMUJFWSA-N 1 0 374.363 2.849 20 5 FFBDRO C[C@@H](CCNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[NH+](C)C ZINC000596585618 521146681 /nfs/dbraw/zinc/14/66/81/521146681.db2.gz ONWLGVGZHCORKP-JTQLQIEISA-N 1 0 362.352 2.753 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N(C)CCC[N@H+](C)Cc1ccncc1 ZINC000593714140 521169957 /nfs/dbraw/zinc/16/99/57/521169957.db2.gz MYRDOQRDIXUYJY-UHFFFAOYSA-N 1 0 372.425 2.593 20 5 FFBDRO Cc1c(NC(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cccc1[N+](=O)[O-] ZINC000593758975 521197285 /nfs/dbraw/zinc/19/72/85/521197285.db2.gz QRDGXKRMHNOBNF-GRDNDAEWSA-N 1 0 362.430 2.653 20 5 FFBDRO CN(CCCC[NH+](C)C)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000607037688 521241631 /nfs/dbraw/zinc/24/16/31/521241631.db2.gz NXBUKSYICZVVSS-UHFFFAOYSA-N 1 0 365.477 2.955 20 5 FFBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC000602291270 521262839 /nfs/dbraw/zinc/26/28/39/521262839.db2.gz KMMMPWIRIWFLBW-YJBOKZPZSA-N 1 0 357.454 2.959 20 5 FFBDRO CCc1ccc(C(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cc1[N+](=O)[O-] ZINC000593911564 521287346 /nfs/dbraw/zinc/28/73/46/521287346.db2.gz GTXOYOJZQQNLJG-XYJFISCASA-N 1 0 361.442 2.516 20 5 FFBDRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000593919274 521291781 /nfs/dbraw/zinc/29/17/81/521291781.db2.gz PRIHYWHCOZCYPY-KBMXLJTQSA-N 1 0 367.833 2.749 20 5 FFBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000602402524 521322543 /nfs/dbraw/zinc/32/25/43/521322543.db2.gz QVYDPAZSBFZOHL-UHFFFAOYSA-N 1 0 372.429 2.722 20 5 FFBDRO C[C@H]([NH2+][C@H]1[C@@H](C)[C@@H](C)O[C@H]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000599626592 521340650 /nfs/dbraw/zinc/34/06/50/521340650.db2.gz SELWJZLVLKWAAY-AOVQSLKQSA-N 1 0 355.822 2.977 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H]1c1ccc(=O)[nH]n1 ZINC000599640399 521353208 /nfs/dbraw/zinc/35/32/08/521353208.db2.gz DQKIIXBHYIJRDQ-INIZCTEOSA-N 1 0 371.397 2.565 20 5 FFBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000611828822 521354463 /nfs/dbraw/zinc/35/44/63/521354463.db2.gz WXGKIQPGFMOLEZ-CQSZACIVSA-N 1 0 350.419 2.989 20 5 FFBDRO CCC(C)(C)[NH+]1CCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000594021861 521356398 /nfs/dbraw/zinc/35/63/98/521356398.db2.gz YPXWYIGJBSVPGO-UHFFFAOYSA-N 1 0 368.865 2.993 20 5 FFBDRO CC[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@H]1CCCCO1 ZINC000594040132 521367603 /nfs/dbraw/zinc/36/76/03/521367603.db2.gz DKWKRPYFEKIPSN-GDBMZVCRSA-N 1 0 365.430 2.869 20 5 FFBDRO CC[C@H]([NH2+]CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000594042701 521368303 /nfs/dbraw/zinc/36/83/03/521368303.db2.gz NPADUKBAPPVKTP-YOEHRIQHSA-N 1 0 365.430 2.869 20 5 FFBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H](CC)[C@H]2CCCCO2)c([N+](=O)[O-])c1 ZINC000594044448 521370216 /nfs/dbraw/zinc/37/02/16/521370216.db2.gz QXQYLMVYKXGCFY-WMLDXEAASA-N 1 0 365.430 2.869 20 5 FFBDRO CC[C@@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)[C@@H]1CCCCO1 ZINC000594045534 521371132 /nfs/dbraw/zinc/37/11/32/521371132.db2.gz ZGFBHQWZUFWDJV-PBHICJAKSA-N 1 0 365.430 2.869 20 5 FFBDRO C[C@@H]1CN(C(C)(C)C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H](C)O1 ZINC000602508153 521387014 /nfs/dbraw/zinc/38/70/14/521387014.db2.gz UDGYVAPKBNBALC-BETUJISGSA-N 1 0 362.430 2.713 20 5 FFBDRO C[C@@H](Cc1cccc(O)c1)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602550784 521407626 /nfs/dbraw/zinc/40/76/26/521407626.db2.gz MYSDTWHZUYZXGY-AWEZNQCLSA-N 1 0 356.426 2.885 20 5 FFBDRO COc1ccc([C@H]([NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])C2CC2)cn1 ZINC000599701246 521412418 /nfs/dbraw/zinc/41/24/18/521412418.db2.gz SPIGMWUECMOOSQ-GOSISDBHSA-N 1 0 356.382 2.678 20 5 FFBDRO C[C@@H](CC[S@@](C)=O)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602567561 521415443 /nfs/dbraw/zinc/41/54/43/521415443.db2.gz GSLQMLWPUWVEQU-ULCDLSAGSA-N 1 0 355.279 2.666 20 5 FFBDRO COc1cc(F)cc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1 ZINC000602577572 521419813 /nfs/dbraw/zinc/41/98/13/521419813.db2.gz WBVNMNNAENTUOU-UHFFFAOYSA-N 1 0 360.389 2.896 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCCC4)CC2)cn1 ZINC000602582431 521423071 /nfs/dbraw/zinc/42/30/71/521423071.db2.gz OVTVOOIYWWNCNM-UHOSZYNNSA-N 1 0 372.469 2.896 20 5 FFBDRO C[N@@H+]1CC[C@@H]2CCN(Cc3cc(Br)c([N+](=O)[O-])s3)[C@H]2C1 ZINC000602592403 521429599 /nfs/dbraw/zinc/42/95/99/521429599.db2.gz QWUKHRIZZNYFOB-SKDRFNHKSA-N 1 0 360.277 2.945 20 5 FFBDRO Cn1ncc(C2CCC2)c1C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000597015785 521446989 /nfs/dbraw/zinc/44/69/89/521446989.db2.gz XVVLGIXTWJJGIO-CQSZACIVSA-N 1 0 356.430 2.677 20 5 FFBDRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000594198715 521465232 /nfs/dbraw/zinc/46/52/32/521465232.db2.gz VFPGQRSUYZPBKF-ZBFHGGJFSA-N 1 0 369.425 2.527 20 5 FFBDRO COCc1csc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1 ZINC000602708845 521488659 /nfs/dbraw/zinc/48/86/59/521488659.db2.gz DSOKVXVQBMKPTH-UHFFFAOYSA-N 1 0 362.455 2.956 20 5 FFBDRO C[C@H](O)[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccccc1 ZINC000602715821 521492918 /nfs/dbraw/zinc/49/29/18/521492918.db2.gz OTXBOWRWWXFZAI-IFXJQAMLSA-N 1 0 356.426 2.670 20 5 FFBDRO Nc1c(NC(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc(Cl)cc1[N+](=O)[O-] ZINC000597091961 521498543 /nfs/dbraw/zinc/49/85/43/521498543.db2.gz HULQDHKBQILLKA-AAEUAGOBSA-N 1 0 367.837 2.969 20 5 FFBDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)Nc3cc(Cl)cc([N+](=O)[O-])c3N)C2)C1 ZINC000597093866 521499637 /nfs/dbraw/zinc/49/96/37/521499637.db2.gz ZAGNQXADIPYIRD-INIZCTEOSA-N 1 0 367.837 2.780 20 5 FFBDRO O=C(NCC12CCC[NH+]1CCC2)c1c(Br)cccc1[N+](=O)[O-] ZINC000599851404 521512491 /nfs/dbraw/zinc/51/24/91/521512491.db2.gz MBPGMXIMBHYHKI-UHFFFAOYSA-N 1 0 368.231 2.716 20 5 FFBDRO O=C(CC1([NH+]2CCOCC2)CCCC1)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000619324472 521524342 /nfs/dbraw/zinc/52/43/42/521524342.db2.gz JCUZWFOEESANHR-UHFFFAOYSA-N 1 0 351.378 2.708 20 5 FFBDRO Cc1ccc2[nH]c([C@@H]3CCC[N@@H+](Cc4cn(C)nc4[N+](=O)[O-])C3)nc2c1 ZINC000602801610 521539955 /nfs/dbraw/zinc/53/99/55/521539955.db2.gz XKEOXHJSWKIPSM-CYBMUJFWSA-N 1 0 354.414 2.893 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000602837058 521562208 /nfs/dbraw/zinc/56/22/08/521562208.db2.gz SNMZPVYFJJGXQO-CQSZACIVSA-N 1 0 372.347 2.832 20 5 FFBDRO CN(C)c1cc[nH+]c(NC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)c1 ZINC000612346879 521585555 /nfs/dbraw/zinc/58/55/55/521585555.db2.gz ZRIBFBLGVGPLLC-UHFFFAOYSA-N 1 0 367.365 2.622 20 5 FFBDRO COc1cc(C[NH+]2CCC(C(=O)Nc3cc(C)on3)CC2)ccc1[N+](=O)[O-] ZINC000489982018 561423937 /nfs/dbraw/zinc/42/39/37/561423937.db2.gz WGXIAOLAGRHJCX-UHFFFAOYSA-N 1 0 374.397 2.751 20 5 FFBDRO Cc1ccc(C[NH2+]C2(c3cccc(-c4nn[nH]n4)c3)CC2)cc1[N+](=O)[O-] ZINC000826288791 607704674 /nfs/dbraw/zinc/70/46/74/607704674.db2.gz XAFXNJOJHMOFSF-UHFFFAOYSA-N 1 0 350.382 2.862 20 5 FFBDRO C[C@H]([NH2+]CCCOc1ccc(-c2nn[nH]n2)cc1)c1ccccc1[N+](=O)[O-] ZINC000824592932 608563850 /nfs/dbraw/zinc/56/38/50/608563850.db2.gz PDFVMYMDBLFBCQ-ZDUSSCGKSA-N 1 0 368.397 2.895 20 5 FFBDRO O=[N+]([O-])c1ccnc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c1 ZINC001164700290 719886932 /nfs/dbraw/zinc/88/69/32/719886932.db2.gz JFTIBCGCUXXOMY-UHFFFAOYSA-N 1 0 374.466 2.923 20 5 FFBDRO O=[N+]([O-])c1cc(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)nc2[nH]ccc21 ZINC001164732945 720412157 /nfs/dbraw/zinc/41/21/57/720412157.db2.gz OWDBUASTGOEGRH-HOTGVXAUSA-N 1 0 364.409 2.719 20 5 FFBDRO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CC[C@H](Cc3nccs3)C1)OCCO2 ZINC000898071788 735310201 /nfs/dbraw/zinc/31/02/01/735310201.db2.gz SQAIOWXDKIQNKJ-GFCCVEGCSA-N 1 0 361.423 2.887 20 5 FFBDRO C[C@H]1CCC[N@@H+]1CCNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000744345424 735350784 /nfs/dbraw/zinc/35/07/84/735350784.db2.gz OIKCLZVCMDAGBE-LBPRGKRZSA-N 1 0 360.439 2.932 20 5 FFBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC([NH+]2CCCC2)C1 ZINC000898604899 735388512 /nfs/dbraw/zinc/38/85/12/735388512.db2.gz OUUBIRNMKDCMFY-UHFFFAOYSA-N 1 0 368.231 2.586 20 5 FFBDRO O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CC([NH+]2CCCC2)C1 ZINC000898612355 735389050 /nfs/dbraw/zinc/38/90/50/735389050.db2.gz DLTVINGLLFAPIJ-UHFFFAOYSA-N 1 0 358.423 2.639 20 5 FFBDRO Cc1c(C(=O)NCC[NH+](C(C)C)C(C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000027457276 727877106 /nfs/dbraw/zinc/87/71/06/727877106.db2.gz IVBJZTCIFLBWJM-UHFFFAOYSA-N 1 0 352.391 2.660 20 5 FFBDRO CC[NH+](CC)C[C@@H]1CCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000072823511 728213852 /nfs/dbraw/zinc/21/38/52/728213852.db2.gz YHPKUFNMZYTCQW-ZDUSSCGKSA-N 1 0 368.865 2.850 20 5 FFBDRO CC[C@H](C)[N@H+](C)CCNc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000110508287 728532126 /nfs/dbraw/zinc/53/21/26/728532126.db2.gz AFYJQGYSHHKINB-JTQLQIEISA-N 1 0 365.402 2.733 20 5 FFBDRO O=[N+]([O-])c1cc(S(=O)(=O)NC2CC[NH+](C3CCCCC3)CC2)cs1 ZINC000119915706 728602508 /nfs/dbraw/zinc/60/25/08/728602508.db2.gz WTFOAIZMWBXSBF-UHFFFAOYSA-N 1 0 373.500 2.732 20 5 FFBDRO O=[N+]([O-])c1ccc(Cl)c(CN2CCC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000172180342 729021062 /nfs/dbraw/zinc/02/10/62/729021062.db2.gz GTUADNNRBVHZDR-CQSZACIVSA-N 1 0 353.850 2.792 20 5 FFBDRO CC(C)[NH+](CCCNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(C)C ZINC000173527228 729049498 /nfs/dbraw/zinc/04/94/98/729049498.db2.gz YSRWVKQQTYZJBZ-UHFFFAOYSA-N 1 0 361.439 2.521 20 5 FFBDRO O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1N1CCc2c[nH+]ccc21 ZINC000175006558 729084843 /nfs/dbraw/zinc/08/48/43/729084843.db2.gz ZAXUCGIODPDHDS-UHFFFAOYSA-N 1 0 373.312 2.978 20 5 FFBDRO CC(C)[NH+]1CCC(NC(=O)COc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000177333665 729134258 /nfs/dbraw/zinc/13/42/58/729134258.db2.gz PMGOEAFPHKVXPC-UHFFFAOYSA-N 1 0 355.822 2.616 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CC[C@@H]2CC2(Cl)Cl)cc1 ZINC000857239565 730386910 /nfs/dbraw/zinc/38/69/10/730386910.db2.gz SJHLHJRLTDKQRZ-SNVBAGLBSA-N 1 0 367.254 2.542 20 5 FFBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[NH+](CCCF)CC1 ZINC000860009898 730472683 /nfs/dbraw/zinc/47/26/83/730472683.db2.gz GKROYDCXOVJQKN-LBPRGKRZSA-N 1 0 372.828 2.552 20 5 FFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)OC[C@@H]1CCC[N@@H+]1CCOC ZINC000861036123 730569706 /nfs/dbraw/zinc/56/97/06/730569706.db2.gz ULAMVSUESMGGNF-AWEZNQCLSA-N 1 0 368.455 2.974 20 5 FFBDRO C[C@@](O)(C1CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1)C(F)(F)F ZINC000767907004 737381500 /nfs/dbraw/zinc/38/15/00/737381500.db2.gz JSQUIOYVCIBMPI-HUUCEWRRSA-N 1 0 362.348 2.654 20 5 FFBDRO CC[N@H+](CCNC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1)C1CC1 ZINC000865151663 730918788 /nfs/dbraw/zinc/91/87/88/730918788.db2.gz TWUYICLWCWTPFT-UHFFFAOYSA-N 1 0 370.247 2.500 20 5 FFBDRO O=[N+]([O-])c1cc(CO)c(N2CC[NH+](CCc3cccs3)CC2)cc1F ZINC000865461962 730958334 /nfs/dbraw/zinc/95/83/34/730958334.db2.gz FJDTUQDSLBMFJL-UHFFFAOYSA-N 1 0 365.430 2.652 20 5 FFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000866299425 731047833 /nfs/dbraw/zinc/04/78/33/731047833.db2.gz KPHSWULHOGFURG-KCPJHIHWSA-N 1 0 358.435 2.610 20 5 FFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC[S@@](=O)CC(F)(F)F ZINC000866385613 731054191 /nfs/dbraw/zinc/05/41/91/731054191.db2.gz OIPWXJTVEVQHKQ-XQHREBAHSA-N 1 0 356.341 2.566 20 5 FFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC(C)(C)[C@]1(O)CCCOC1 ZINC000866391187 731054506 /nfs/dbraw/zinc/05/45/06/731054506.db2.gz CBQIAQZJNPGBPF-ACJLOTCBSA-N 1 0 354.422 2.822 20 5 FFBDRO COc1cc(CN2CCC[C@H]3[NH2+]CC[C@H]32)c([N+](=O)[O-])cc1OC(F)F ZINC000866720057 731091316 /nfs/dbraw/zinc/09/13/16/731091316.db2.gz BSENOCVPOLAQMT-VXGBXAGGSA-N 1 0 357.357 2.531 20 5 FFBDRO C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000925482829 738510164 /nfs/dbraw/zinc/51/01/64/738510164.db2.gz OGIOTFXJAAPWNA-LBPRGKRZSA-N 1 0 360.801 2.994 20 5 FFBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCN(CC(C)(C)O)C1 ZINC000872090317 731728713 /nfs/dbraw/zinc/72/87/13/731728713.db2.gz AORQSICNSQBRMN-STQMWFEESA-N 1 0 353.488 2.813 20 5 FFBDRO Cc1c([C@H](C)[NH2+]CC2C[C@H]3CC[C@@H](C2)S3(=O)=O)cccc1[N+](=O)[O-] ZINC000872119758 731731370 /nfs/dbraw/zinc/73/13/70/731731370.db2.gz JJKWNNOEMQTDPY-AVOUXACISA-N 1 0 352.456 2.910 20 5 FFBDRO Cc1ccc([C@@H](C)[NH2+]CC2C[C@H]3CC[C@@H](C2)S3(=O)=O)cc1[N+](=O)[O-] ZINC000872121740 731732066 /nfs/dbraw/zinc/73/20/66/731732066.db2.gz OJWAZQXPWIZDRD-WPXLMEDKSA-N 1 0 352.456 2.910 20 5 FFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@H](CO)c2ccc(Cl)cc2)c1 ZINC000872246959 731745634 /nfs/dbraw/zinc/74/56/34/731745634.db2.gz IBZIOMSDVIMKBQ-PBHICJAKSA-N 1 0 350.802 2.647 20 5 FFBDRO Cc1csc([C@@H]2CC[N@H+](Cn3nc(C)c4cc([N+](=O)[O-])cnc43)C2)n1 ZINC000872806085 731834040 /nfs/dbraw/zinc/83/40/40/731834040.db2.gz IREYRFOSVHZYFO-GFCCVEGCSA-N 1 0 358.427 2.860 20 5 FFBDRO COC(=O)CC(C)(C)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000877149309 732329094 /nfs/dbraw/zinc/32/90/94/732329094.db2.gz LCUDCXCFWKEHBT-UHFFFAOYSA-N 1 0 351.222 2.850 20 5 FFBDRO C[N@@H+](Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C[C@H]1CCOC1 ZINC000878168898 732492236 /nfs/dbraw/zinc/49/22/36/732492236.db2.gz WYNRFXWFKRMXFS-SNVBAGLBSA-N 1 0 352.778 2.767 20 5 FFBDRO CC(C)[C@@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])[C@@H](O)c1ccc(Cl)cc1 ZINC000878996899 732628768 /nfs/dbraw/zinc/62/87/68/732628768.db2.gz QCLKHAOSOBJGFF-CABCVRRESA-N 1 0 352.822 2.830 20 5 FFBDRO O=C(CC[N@@H+]1CCO[C@@H](C(F)(F)F)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000880052278 732833732 /nfs/dbraw/zinc/83/37/32/732833732.db2.gz HMXDLFUSHKZVHK-CYBMUJFWSA-N 1 0 361.320 2.577 20 5 FFBDRO O=C1CC2(CCC2)N(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CCN1 ZINC000880166865 732858733 /nfs/dbraw/zinc/85/87/33/732858733.db2.gz FXNREIGOJORHQV-UHFFFAOYSA-N 1 0 357.332 2.858 20 5 FFBDRO O=[N+]([O-])c1ccc(CN2CCC[C@H]([NH2+]C3CCOCC3)C2)c(Cl)c1 ZINC000880203118 732865247 /nfs/dbraw/zinc/86/52/47/732865247.db2.gz DDJGTGPDZGHFRS-HNNXBMFYSA-N 1 0 353.850 2.981 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)S3(=O)=O)CCC2 ZINC000927038579 738684247 /nfs/dbraw/zinc/68/42/47/738684247.db2.gz KGTQHUGRSGVAEB-YYDPCCRISA-N 1 0 350.440 2.670 20 5 FFBDRO O=C(CC[NH2+][C@H](CO)C1CCCCC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000782532201 738731367 /nfs/dbraw/zinc/73/13/67/738731367.db2.gz XYHYRDQNHGKXQY-MRXNPFEDSA-N 1 0 353.394 2.593 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000782763122 738753940 /nfs/dbraw/zinc/75/39/40/738753940.db2.gz JWJWBWJBKCRSAH-LBPRGKRZSA-N 1 0 369.849 2.958 20 5 FFBDRO CCOc1cc(NC(=O)NC[C@]2([NH+](C)C)CCSC2)ccc1[N+](=O)[O-] ZINC000888832893 734103794 /nfs/dbraw/zinc/10/37/94/734103794.db2.gz RNYCOUHABBKZLZ-MRXNPFEDSA-N 1 0 368.459 2.552 20 5 FFBDRO C[NH+]1CCC2(CCN2C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000889223228 734153960 /nfs/dbraw/zinc/15/39/60/734153960.db2.gz RHFWCFUJZLRKAK-UHFFFAOYSA-N 1 0 355.341 2.507 20 5 FFBDRO CN(CC(C)(C)C[NH+](C)C)C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000890882794 734350559 /nfs/dbraw/zinc/35/05/59/734350559.db2.gz XXFWQZXPWGCVDR-UHFFFAOYSA-N 1 0 359.373 2.856 20 5 FFBDRO CCCC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000726187989 734412681 /nfs/dbraw/zinc/41/26/81/734412681.db2.gz JXROWPKJLWTKHO-CYBMUJFWSA-N 1 0 373.450 2.667 20 5 FFBDRO CCOC(=O)N(C)C1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000726972577 734457473 /nfs/dbraw/zinc/45/74/73/734457473.db2.gz LPOLWLSAJVQVNO-UHFFFAOYSA-N 1 0 351.403 2.526 20 5 FFBDRO C[C@]1(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])C[NH+]2CCC1CC2 ZINC000892780405 734602782 /nfs/dbraw/zinc/60/27/82/734602782.db2.gz SARFTJVSDGCANG-HNNXBMFYSA-N 1 0 368.231 2.571 20 5 FFBDRO C[NH+]1C[C@@]2(C)CN(c3ncc([N+](=O)[O-])cc3Br)C[C@]2(C)C1 ZINC000894797495 734918896 /nfs/dbraw/zinc/91/88/96/734918896.db2.gz MGLWISKGRRNGAZ-KBPBESRZSA-N 1 0 355.236 2.530 20 5 FFBDRO CCO/C=C\[C@@](O)(C[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)C(F)(F)F ZINC000895705830 735043332 /nfs/dbraw/zinc/04/33/32/735043332.db2.gz BQIMSKBJJRDTJP-LMVHVUTASA-N 1 0 364.320 2.537 20 5 FFBDRO COC(=O)c1cnc(CC[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])s1 ZINC000896932932 735188632 /nfs/dbraw/zinc/18/86/32/735188632.db2.gz VWXYTPPPLQFNIJ-LBPRGKRZSA-N 1 0 363.439 2.991 20 5 FFBDRO O=[N+]([O-])c1c(N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)cccc1C(F)(F)F ZINC000897216014 735207179 /nfs/dbraw/zinc/20/71/79/735207179.db2.gz GRBYLLJFFFBNES-QWHCGFSZSA-N 1 0 359.348 2.649 20 5 FFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000897220405 735207901 /nfs/dbraw/zinc/20/79/01/735207901.db2.gz ASLDRYCVEADEEZ-CHWSQXEVSA-N 1 0 359.348 2.649 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)cc1C(F)(F)F ZINC000897221198 735207965 /nfs/dbraw/zinc/20/79/65/735207965.db2.gz JFFGCOWIDLFFBF-LSDHHAIUSA-N 1 0 359.348 2.649 20 5 FFBDRO C[C@@H](C[NH2+]Cc1cc(Br)nn1C)c1ccccc1[N+](=O)[O-] ZINC000897465429 735237953 /nfs/dbraw/zinc/23/79/53/735237953.db2.gz WERHXWDKYVFGDW-JTQLQIEISA-N 1 0 353.220 2.984 20 5 FFBDRO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000749993769 735765670 /nfs/dbraw/zinc/76/56/70/735765670.db2.gz OEZDWPUAUKEJAJ-CYBMUJFWSA-N 1 0 367.833 2.621 20 5 FFBDRO CCCC[N@H+](C)CCNS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000752252409 735971311 /nfs/dbraw/zinc/97/13/11/735971311.db2.gz XSNMNACOPVQPFL-UHFFFAOYSA-N 1 0 363.867 2.567 20 5 FFBDRO COc1cc([C@H](C)[NH2+]C[C@@H]2CC[C@@]3(CO[C@@H](C)C3)O2)cc([N+](=O)[O-])c1 ZINC000903221759 736058258 /nfs/dbraw/zinc/05/82/58/736058258.db2.gz SRJJOMTTXOQILD-RASHJEQFSA-N 1 0 350.415 2.981 20 5 FFBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CCOC23CCOCC3)cc1[N+](=O)[O-] ZINC000903390607 736086441 /nfs/dbraw/zinc/08/64/41/736086441.db2.gz WWXCWLZHJFINJN-GUYCJALGSA-N 1 0 350.415 2.982 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)cc1 ZINC000754250675 736140558 /nfs/dbraw/zinc/14/05/58/736140558.db2.gz LWLIZRJTHZRZJP-OAHLLOKOSA-N 1 0 364.785 2.843 20 5 FFBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000756950818 736376378 /nfs/dbraw/zinc/37/63/78/736376378.db2.gz DOHOJLHVVNGDDU-LLVKDONJSA-N 1 0 352.822 2.532 20 5 FFBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000756951475 736376387 /nfs/dbraw/zinc/37/63/87/736376387.db2.gz RTJQWQQVZRNXDQ-GFCCVEGCSA-N 1 0 354.838 2.778 20 5 FFBDRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000757425541 736405460 /nfs/dbraw/zinc/40/54/60/736405460.db2.gz NMNGQPZXORYDQB-MRXNPFEDSA-N 1 0 369.849 2.658 20 5 FFBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cccc([N+](=O)[O-])c2Br)C[C@H]1C ZINC000758905886 736530789 /nfs/dbraw/zinc/53/07/89/736530789.db2.gz XSWFEOQEBHEQQW-GHMZBOCLSA-N 1 0 370.247 2.912 20 5 FFBDRO O=C(C[NH2+][C@H]1Cc2cccc(O)c2C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000759710215 736588166 /nfs/dbraw/zinc/58/81/66/736588166.db2.gz CGOHHQLNFBQIOI-LBPRGKRZSA-N 1 0 361.785 2.649 20 5 FFBDRO C[NH+]1CCC2(CCCN2C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)CC1 ZINC000907192478 736595458 /nfs/dbraw/zinc/59/54/58/736595458.db2.gz PRXQKYSKTCGISP-UHFFFAOYSA-N 1 0 352.822 2.531 20 5 FFBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC000908148682 736726984 /nfs/dbraw/zinc/72/69/84/736726984.db2.gz UJLPTVIEAZMEPQ-JQWIXIFHSA-N 1 0 352.822 2.529 20 5 FFBDRO C[C@@H]1CN(C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)CC[N@@H+](C2CCC2)C1 ZINC000908358120 736763307 /nfs/dbraw/zinc/76/33/07/736763307.db2.gz LLHJHVCMXNKMBO-NSHDSACASA-N 1 0 366.849 2.777 20 5 FFBDRO CC[N@@H+]1CCCN(C(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000910285587 737053236 /nfs/dbraw/zinc/05/32/36/737053236.db2.gz SGUFUOJAIJBKQL-GFCCVEGCSA-N 1 0 367.471 2.882 20 5 FFBDRO O=C(N[C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F)C12CC[NH+](CC1)C2 ZINC000910452080 737076323 /nfs/dbraw/zinc/07/63/23/737076323.db2.gz KRWMKTHFNDYBNF-GFCCVEGCSA-N 1 0 361.295 2.549 20 5 FFBDRO CC[NH+](CC)[C@@H]1CCN(c2cc(Cl)c(C(=O)OC)cc2[N+](=O)[O-])C1 ZINC000765514290 737127016 /nfs/dbraw/zinc/12/70/16/737127016.db2.gz OZMHKBXPOFNPBA-LLVKDONJSA-N 1 0 355.822 2.955 20 5 FFBDRO CN(CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)CC(F)(F)F ZINC000765929081 737173083 /nfs/dbraw/zinc/17/30/83/737173083.db2.gz LNGSEPKFPQKQAI-UHFFFAOYSA-N 1 0 360.380 2.647 20 5 FFBDRO C[C@@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000912651623 737327941 /nfs/dbraw/zinc/32/79/41/737327941.db2.gz XHWQBLVKBLWEER-VXGBXAGGSA-N 1 0 352.410 2.651 20 5 FFBDRO C[NH+](C)C1(C)CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000913396876 737398908 /nfs/dbraw/zinc/39/89/08/737398908.db2.gz LHQBUWPMBDUITI-UHFFFAOYSA-N 1 0 370.247 2.914 20 5 FFBDRO O=C(C[NH2+][C@H](CCO)c1ccccc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000774858956 738032859 /nfs/dbraw/zinc/03/28/59/738032859.db2.gz XYJCVTJPAMEHSR-OAHLLOKOSA-N 1 0 363.801 2.900 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000930318038 739086454 /nfs/dbraw/zinc/08/64/54/739086454.db2.gz ZPSUHYLPKYMRNA-ZFWWWQNUSA-N 1 0 364.471 2.913 20 5 FFBDRO O=[N+]([O-])CC[NH2+]C1(Cc2ccc(F)cc2Br)CCOCC1 ZINC000930569327 739130019 /nfs/dbraw/zinc/13/00/19/739130019.db2.gz CWBCBRRDAPGNPQ-UHFFFAOYSA-N 1 0 361.211 2.546 20 5 FFBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000931038950 739202621 /nfs/dbraw/zinc/20/26/21/739202621.db2.gz OSLTZXHFBVHVKM-ZWNOBZJWSA-N 1 0 365.821 2.823 20 5 FFBDRO C[C@@H]([NH2+]CC(C)(C)N1C[C@@H](C)O[C@@H](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788503066 739251368 /nfs/dbraw/zinc/25/13/68/739251368.db2.gz CJBMCAUMPVDODY-HZSPNIEDSA-N 1 0 350.463 2.715 20 5 FFBDRO CSCC1CC[NH+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC1 ZINC000932588951 739473774 /nfs/dbraw/zinc/47/37/74/739473774.db2.gz CDSJUAGFTWAKOP-UHFFFAOYSA-N 1 0 365.455 2.968 20 5 FFBDRO C[NH+]1CCC2(CCN2C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000790778800 739494615 /nfs/dbraw/zinc/49/46/15/739494615.db2.gz KONKVXMUWUVAPY-UHFFFAOYSA-N 1 0 355.797 2.627 20 5 FFBDRO CC(C)(C)OC(=O)NCC[C@H]1CC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000932698350 739496808 /nfs/dbraw/zinc/49/68/08/739496808.db2.gz SUTKLNZADUEOQA-ZDUSSCGKSA-N 1 0 350.419 2.727 20 5 FFBDRO C[C@@](CO)(Cc1ccc(Cl)cc1)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000933442704 739626642 /nfs/dbraw/zinc/62/66/42/739626642.db2.gz NWFUBVOEZANXHW-ROUUACIJSA-N 1 0 364.829 2.865 20 5 FFBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000933778388 739688951 /nfs/dbraw/zinc/68/89/51/739688951.db2.gz GVFSWKCCZMRBRN-CQSZACIVSA-N 1 0 351.422 2.857 20 5 FFBDRO C[NH+](C)[C@@]1(CNC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])CCSC1 ZINC000934080445 739729629 /nfs/dbraw/zinc/72/96/29/739729629.db2.gz WSQJVFKLMCOZKZ-MRXNPFEDSA-N 1 0 371.890 2.734 20 5 FFBDRO C[C@]12CSC[C@H]1C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C2 ZINC000934765069 739835257 /nfs/dbraw/zinc/83/52/57/739835257.db2.gz BUEUHDNGNHHCCI-BZNIZROVSA-N 1 0 353.419 2.747 20 5 FFBDRO CCNC(=O)OC[C@@H]1CCCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000796163888 740110255 /nfs/dbraw/zinc/11/02/55/740110255.db2.gz REIUTKXXDBMXDU-HNNXBMFYSA-N 1 0 351.403 2.574 20 5 FFBDRO COc1cc(COC(=O)C2CC[NH+](C3CC3)CC2)c([N+](=O)[O-])cc1F ZINC000801874393 740660383 /nfs/dbraw/zinc/66/03/83/740660383.db2.gz PJHHLUFVOUWXTL-UHFFFAOYSA-N 1 0 352.362 2.660 20 5 FFBDRO C[NH+](C)Cc1ccc(NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)cc1F ZINC000801917258 740663713 /nfs/dbraw/zinc/66/37/13/740663713.db2.gz WKZOGIRPZYPONY-UHFFFAOYSA-N 1 0 350.325 2.769 20 5 FFBDRO CC(C)[N@H+](C)CCNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809837372 741351961 /nfs/dbraw/zinc/35/19/61/741351961.db2.gz YTWDPWKUGOGQKD-UHFFFAOYSA-N 1 0 370.258 2.520 20 5 FFBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1CN1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000809943231 741364362 /nfs/dbraw/zinc/36/43/62/741364362.db2.gz ZIIBLBVVNGVACT-LSDHHAIUSA-N 1 0 374.268 2.933 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@H](C)C[N@@H+](C)C(C)C)c1 ZINC000810091430 741384806 /nfs/dbraw/zinc/38/48/06/741384806.db2.gz UUDDONITONDOID-LLVKDONJSA-N 1 0 363.867 2.564 20 5 FFBDRO CSC1(CNC(=O)/C=C(\C)c2ccc([N+](=O)[O-])cc2)CC[NH+](C)CC1 ZINC000810880267 741458079 /nfs/dbraw/zinc/45/80/79/741458079.db2.gz AGPMBZQMSYMSQI-WYMLVPIESA-N 1 0 363.483 2.942 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)OCCOc2ccccc2[N+](=O)[O-])C1 ZINC000811448752 741523721 /nfs/dbraw/zinc/52/37/21/741523721.db2.gz ZPTSTVYOXAKOOM-QGZVFWFLSA-N 1 0 354.378 2.729 20 5 FFBDRO CC(C)OCC[NH+]1CCC(NC(=O)c2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000816943264 742075153 /nfs/dbraw/zinc/07/51/53/742075153.db2.gz RXPFJHZNHDADOM-UHFFFAOYSA-N 1 0 369.849 2.867 20 5 FFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCc2csc(N3CCCC3)n2)c1 ZINC000819067687 742332946 /nfs/dbraw/zinc/33/29/46/742332946.db2.gz KXPBGUXKZGZSOG-INIZCTEOSA-N 1 0 362.455 2.517 20 5 FFBDRO CC(C)(C)OC(=O)NCC[C@@H](O)C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000819150614 742344365 /nfs/dbraw/zinc/34/43/65/742344365.db2.gz QEKIOOVXHQBUST-CYBMUJFWSA-N 1 0 373.837 2.614 20 5 FFBDRO Cc1nc2c(s1)[C@@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])CCC2 ZINC000819216676 742355827 /nfs/dbraw/zinc/35/58/27/742355827.db2.gz KNLOEIOPBFFSIW-OLZOCXBDSA-N 1 0 363.439 2.767 20 5 FFBDRO CC[C@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)NC(=O)OC(C)(C)C ZINC000819340923 742378393 /nfs/dbraw/zinc/37/83/93/742378393.db2.gz AUKXPTZJXJNUJZ-HIFRSBDPSA-N 1 0 353.419 2.521 20 5 FFBDRO O=[N+]([O-])c1c(Br)cccc1NCCCC[NH+]1CCOCC1 ZINC000820629868 742529876 /nfs/dbraw/zinc/52/98/76/742529876.db2.gz OGGYACCMZLFXLC-UHFFFAOYSA-N 1 0 358.236 2.882 20 5 FFBDRO O=[N+]([O-])c1c(Br)cccc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000820670656 742534013 /nfs/dbraw/zinc/53/40/13/742534013.db2.gz UJTDMCMQVTVESR-GFCCVEGCSA-N 1 0 370.247 2.516 20 5 FFBDRO CO[C@@H]1CCN([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C[C@H]1C ZINC000831527988 745542615 /nfs/dbraw/zinc/54/26/15/745542615.db2.gz JVKGIQMLCZHQLY-UEKVPHQBSA-N 1 0 355.822 2.932 20 5 FFBDRO O=C(CN1CCC[C@H]1C[NH+]1CCCC1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839482187 746835796 /nfs/dbraw/zinc/83/57/96/746835796.db2.gz WPNTWYDMPLGWRQ-AWEZNQCLSA-N 1 0 366.849 2.747 20 5 FFBDRO C[NH+]1CCC(C(=O)N[C@H](c2cccc([N+](=O)[O-])c2F)C(F)(F)F)CC1 ZINC000839864392 746946329 /nfs/dbraw/zinc/94/63/29/746946329.db2.gz SCXRJOJHUUANLZ-CYBMUJFWSA-N 1 0 363.311 2.795 20 5 FFBDRO C[N@@H+]1CCC[C@@]2(CCN(Cn3ncc4cc([N+](=O)[O-])cc(Cl)c43)C2)C1 ZINC000840085204 746995365 /nfs/dbraw/zinc/99/53/65/746995365.db2.gz BRCMXDQVYVGHCX-QGZVFWFLSA-N 1 0 363.849 2.973 20 5 FFBDRO C[NH2+]C[C@H]1CCCN1C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841161614 747284330 /nfs/dbraw/zinc/28/43/30/747284330.db2.gz NRRNVIZZEAUWAO-SNVBAGLBSA-N 1 0 357.208 2.573 20 5 FFBDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000841162249 747284998 /nfs/dbraw/zinc/28/49/98/747284998.db2.gz RKRBPUGGNVWKHQ-RKDXNWHRSA-N 1 0 357.208 2.749 20 5 FFBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000841857394 747478027 /nfs/dbraw/zinc/47/80/27/747478027.db2.gz XPIZSYASROBFME-MRXNPFEDSA-N 1 0 366.849 2.922 20 5 FFBDRO [NH3+][C@H]1CCO[C@@H](C2CCN(C(=O)c3ccc([N+](=O)[O-])c(Cl)c3)CC2)C1 ZINC000842509387 747623150 /nfs/dbraw/zinc/62/31/50/747623150.db2.gz JKKNNGXGCIGNTK-XJKSGUPXSA-N 1 0 367.833 2.607 20 5 FFBDRO CSC1(CNC(=O)c2c(C)c(F)ccc2[N+](=O)[O-])CC[NH+](C)CC1 ZINC000843892005 747921624 /nfs/dbraw/zinc/92/16/24/747921624.db2.gz QVYOQZPNDYHXCP-UHFFFAOYSA-N 1 0 355.435 2.600 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CCC[C@@H]1CC1(Cl)Cl ZINC000844276287 747995758 /nfs/dbraw/zinc/99/57/58/747995758.db2.gz DXQZZLSVBHQAIY-NEPJUHHUSA-N 1 0 363.241 2.898 20 5 FFBDRO C[C@@H]1[C@H](C)N(C(=O)c2cccc([N+](=O)[O-])c2Br)[C@@H](C)C[N@@H+]1C ZINC000844643564 748062954 /nfs/dbraw/zinc/06/29/54/748062954.db2.gz UHWZZQIAFZEWHX-AXFHLTTASA-N 1 0 370.247 2.910 20 5 FFBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)OCC[C@@H]1CC[N@H+](C)C1 ZINC000847823269 748790150 /nfs/dbraw/zinc/79/01/50/748790150.db2.gz KIAPLDUGCLXZBK-ZDUSSCGKSA-N 1 0 368.455 2.832 20 5 FFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)OC1CC[NH+](CCOC)CC1 ZINC000847884228 748803056 /nfs/dbraw/zinc/80/30/56/748803056.db2.gz DREVLAPLGZPUKC-UHFFFAOYSA-N 1 0 368.455 2.974 20 5 FFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCS(=O)(=O)Cc1ccccc1 ZINC000848526655 748950140 /nfs/dbraw/zinc/95/01/40/748950140.db2.gz DJXXLZIWDICPFX-QGZVFWFLSA-N 1 0 360.435 2.787 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000850592430 749392924 /nfs/dbraw/zinc/39/29/24/749392924.db2.gz QNSBQYJVJVRRGS-NSHDSACASA-N 1 0 373.862 2.510 20 5 FFBDRO CC(C)[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)[C@H](O)c1ccc(Cl)cc1 ZINC000852731654 749937216 /nfs/dbraw/zinc/93/72/16/749937216.db2.gz LJAVJKZLQYLNQS-JKSUJKDBSA-N 1 0 352.822 2.793 20 5 FFBDRO CC(C)[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)[C@@H](O)c1ccc(Cl)cc1 ZINC000852731652 749937252 /nfs/dbraw/zinc/93/72/52/749937252.db2.gz LJAVJKZLQYLNQS-HOTGVXAUSA-N 1 0 352.822 2.793 20 5 FFBDRO C[C@@H]1OC[C@]2(CC[C@H](C[NH2+]Cc3nc4cc([N+](=O)[O-])ccc4o3)O2)[C@H]1C ZINC000895818468 970982639 /nfs/dbraw/zinc/98/26/39/970982639.db2.gz DAYRZRNOAIFJCJ-PZOITXESSA-N 1 0 361.398 2.798 20 5 FFBDRO COc1c(O)ccc(C[N@@H+]2CC[C@](O)(c3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC000893317713 971570884 /nfs/dbraw/zinc/57/08/84/971570884.db2.gz OJZNSSZFQMQTAM-GOSISDBHSA-N 1 0 362.357 2.542 20 5 FFBDRO C[NH+](C)CC[C@H](NCc1nc2cc([N+](=O)[O-])ccc2o1)c1cccnc1 ZINC000896716526 971679801 /nfs/dbraw/zinc/67/98/01/971679801.db2.gz IQQFXIJNTHIZMY-HNNXBMFYSA-N 1 0 355.398 2.914 20 5 FFBDRO C[C@H]([NH2+]CC(C)(C)[C@H]1COCC12OCCO2)c1c(F)cccc1[N+](=O)[O-] ZINC000872079691 1013140530 /nfs/dbraw/zinc/14/05/30/1013140530.db2.gz OEGHCHWVCDENBP-SWLSCSKDSA-N 1 0 368.405 2.800 20 5 FFBDRO O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000333816810 972395573 /nfs/dbraw/zinc/39/55/73/972395573.db2.gz KGVLNPUEVNJLFU-JOCHJYFZSA-N 1 0 361.445 2.509 20 5 FFBDRO O=C(c1ccccc1[N+](=O)[O-])N1CCN(c2cc[nH+]cc2C2CC2)CC1 ZINC000872554927 1013225464 /nfs/dbraw/zinc/22/54/64/1013225464.db2.gz GULIQOQATGXIGZ-UHFFFAOYSA-N 1 0 352.394 2.830 20 5 FFBDRO Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)c3[nH]nc(C(C)C)c3[N+](=O)[O-])C2)cc1 ZINC001174843395 1013323127 /nfs/dbraw/zinc/32/31/27/1013323127.db2.gz NBDBRCGMDLSDGD-OAHLLOKOSA-N 1 0 371.441 2.754 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]Cc1ccnc(N2CCOCC2)c1 ZINC000873011382 1013345736 /nfs/dbraw/zinc/34/57/36/1013345736.db2.gz XRUVDTLTLDERRN-UHFFFAOYSA-N 1 0 356.426 2.733 20 5 FFBDRO C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000255201676 962712637 /nfs/dbraw/zinc/71/26/37/962712637.db2.gz SWMHYXHLOKJLNB-FLIBITNWSA-N 1 0 369.421 2.904 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]Cc1cccc(N2CCOCC2)n1 ZINC000873108909 1013387797 /nfs/dbraw/zinc/38/77/97/1013387797.db2.gz WQEBXYOXMCZTDC-UHFFFAOYSA-N 1 0 356.426 2.733 20 5 FFBDRO Cc1c(C[NH2+]Cc2cnc(N3CCOCC3)c(F)c2)cccc1[N+](=O)[O-] ZINC000873107822 1013388153 /nfs/dbraw/zinc/38/81/53/1013388153.db2.gz QXSFBYZOXNTUPD-UHFFFAOYSA-N 1 0 360.389 2.564 20 5 FFBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@H]1CCCCC12CC[NH2+]CC2 ZINC000891410969 963895826 /nfs/dbraw/zinc/89/58/26/963895826.db2.gz XFWUWJPANYKDNK-KRWDZBQOSA-N 1 0 360.458 2.749 20 5 FFBDRO Cc1ccc(F)c(C[NH+]2CCC(CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 ZINC001270111319 964699246 /nfs/dbraw/zinc/69/92/46/964699246.db2.gz MQDJNYUINXWZDG-SJLPKXTDSA-N 1 0 363.433 2.518 20 5 FFBDRO C[C@H](NC(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1)c1ccccc1[N+](=O)[O-] ZINC000891751224 965015373 /nfs/dbraw/zinc/01/53/73/965015373.db2.gz RCIJWLIQVSAIKM-BBRMVZONSA-N 1 0 354.410 2.670 20 5 FFBDRO CC[C@@H]1CCN(C(=O)Nc2cc(N3CC[NH+](C)CC3)ccc2[N+](=O)[O-])C1 ZINC000934044384 965543683 /nfs/dbraw/zinc/54/36/83/965543683.db2.gz VFKWRTAVRPVBFH-CQSZACIVSA-N 1 0 361.446 2.610 20 5 FFBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)N3C4CCC3CC4)c2)CC1 ZINC000934044711 965544061 /nfs/dbraw/zinc/54/40/61/965544061.db2.gz WKCRGSSGXRIICP-UHFFFAOYSA-N 1 0 359.430 2.505 20 5 FFBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)N3C[C@@H]4CCC[C@@H]4C3)c2)CC1 ZINC000934037204 965545767 /nfs/dbraw/zinc/54/57/67/965545767.db2.gz LXKOASBWBPGCJF-GASCZTMLSA-N 1 0 373.457 2.610 20 5 FFBDRO Cn1cc(C[NH2+]CCO[C@@H]2CCCCO2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000894798730 965699273 /nfs/dbraw/zinc/69/92/73/965699273.db2.gz HMSOISXNYZRBKO-QGZVFWFLSA-N 1 0 360.414 2.628 20 5 FFBDRO C[NH+](C)[C@@H]1C[C@@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1(C)C ZINC001299819591 965843686 /nfs/dbraw/zinc/84/36/86/965843686.db2.gz BEOJPCIEJUEWAO-CHWSQXEVSA-N 1 0 370.247 2.816 20 5 FFBDRO C[C@H](C(=O)N1CCN(c2cc[nH+]cc2)C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000895267960 968874109 /nfs/dbraw/zinc/87/41/09/968874109.db2.gz JQQSQFWHCJMFCU-GJZGRUSLSA-N 1 0 354.410 2.831 20 5 FFBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000729539338 969073896 /nfs/dbraw/zinc/07/38/96/969073896.db2.gz HRUMENHFXPITNE-CQSZACIVSA-N 1 0 362.386 2.512 20 5 FFBDRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000065940257 969167818 /nfs/dbraw/zinc/16/78/18/969167818.db2.gz FKIYLWXRSFOYRT-UHFFFAOYSA-N 1 0 360.389 2.520 20 5 FFBDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000825764732 1013968355 /nfs/dbraw/zinc/96/83/55/1013968355.db2.gz MLPLVEUZPHUBGK-CHWSQXEVSA-N 1 0 366.437 2.793 20 5 FFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2c1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC000892857315 970332813 /nfs/dbraw/zinc/33/28/13/970332813.db2.gz WVBHWSNWEFUYCX-KGLIPLIRSA-N 1 0 356.426 2.510 20 5 FFBDRO C[C@@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000893011138 970496402 /nfs/dbraw/zinc/49/64/02/970496402.db2.gz CCLNHBAURYZXJZ-CHWSQXEVSA-N 1 0 359.430 2.806 20 5 FFBDRO CC(C)[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1cnn(C)c1 ZINC000897080754 973222805 /nfs/dbraw/zinc/22/28/05/973222805.db2.gz BMNDJCUKQFDJAT-GOSISDBHSA-N 1 0 358.446 2.679 20 5 FFBDRO C[NH+](C)CCCOc1cccc(NC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000825838473 1014102681 /nfs/dbraw/zinc/10/26/81/1014102681.db2.gz AUSXHXYYNRTXKX-SFHVURJKSA-N 1 0 373.409 2.597 20 5 FFBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC1CC[NH+](C2CCOCC2)CC1 ZINC000898637546 976583836 /nfs/dbraw/zinc/58/38/36/976583836.db2.gz ULCFLPKGVJDAOQ-CCEZHUSRSA-N 1 0 373.453 2.758 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]([NH2+]C3CCOCC3)C2)c1C ZINC000899199117 977009163 /nfs/dbraw/zinc/00/91/63/977009163.db2.gz BPCSWSVQMVUHKR-MRXNPFEDSA-N 1 0 361.442 2.585 20 5 FFBDRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC000899199335 977009370 /nfs/dbraw/zinc/00/93/70/977009370.db2.gz HDNQCHXQMVLBMW-CVEARBPZSA-N 1 0 354.410 2.639 20 5 FFBDRO CCC(CC)(CC(=O)OC)[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC001167881176 977187894 /nfs/dbraw/zinc/18/78/94/977187894.db2.gz JGNXFQACDXNPPH-UHFFFAOYSA-N 1 0 369.393 2.774 20 5 FFBDRO CCC1([NH+]2CCC2)CCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000899562723 977231571 /nfs/dbraw/zinc/23/15/71/977231571.db2.gz CKOTZDHBPWOSHO-UHFFFAOYSA-N 1 0 365.405 2.590 20 5 FFBDRO COC(=O)CC[C@@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000877008626 1014446996 /nfs/dbraw/zinc/44/69/96/1014446996.db2.gz VGBYHSRIBJSPCW-VMBOVVBDSA-N 1 0 358.398 2.779 20 5 FFBDRO CC(C)(C)OC(=O)[C@H](CCCC[NH3+])Nc1cnc(Cl)cc1[N+](=O)[O-] ZINC001167947066 978509063 /nfs/dbraw/zinc/50/90/63/978509063.db2.gz FSFHHHDKZOSBDV-JTQLQIEISA-N 1 0 358.826 2.894 20 5 FFBDRO [NH3+]C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)C[C@H]1C(F)(F)F ZINC000877356532 1014561297 /nfs/dbraw/zinc/56/12/97/1014561297.db2.gz SFSMYYKKRKPVMR-XHDPSFHLSA-N 1 0 367.327 2.957 20 5 FFBDRO C[C@@H]1[C@@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CCN1Cc1ccccc1 ZINC000877535016 1014617227 /nfs/dbraw/zinc/61/72/27/1014617227.db2.gz RTWHWENNVANOTN-MRTGAJDVSA-N 1 0 355.442 2.747 20 5 FFBDRO O=C1[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CCCN1Cc1ccccc1 ZINC000760236517 980480101 /nfs/dbraw/zinc/48/01/01/980480101.db2.gz SKDVBFNRAPUIPL-LJQANCHMSA-N 1 0 353.422 2.918 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N(C[C@@H](C)[NH+](C)C)c1c(C)cccc1C ZINC000905935184 980543260 /nfs/dbraw/zinc/54/32/60/980543260.db2.gz YBJPPCRSJFOYDE-OAHLLOKOSA-N 1 0 373.457 2.700 20 5 FFBDRO C[NH+](C)C1(C)CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CC1 ZINC000913401490 984255683 /nfs/dbraw/zinc/25/56/83/984255683.db2.gz PUZFOOWQEGHXJD-UHFFFAOYSA-N 1 0 360.458 2.751 20 5 FFBDRO CCO[C@H]1C[C@@H]([N@H+](C)Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1(C)C ZINC000156448647 984333513 /nfs/dbraw/zinc/33/35/13/984333513.db2.gz PGTGQOLTQUKYKZ-CVEARBPZSA-N 1 0 359.430 2.946 20 5 FFBDRO CCCN(CC[NH+](CC)CC)C(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC001127942692 985381266 /nfs/dbraw/zinc/38/12/66/985381266.db2.gz UWSQDUZFZQBDKS-UHFFFAOYSA-N 1 0 365.430 2.575 20 5 FFBDRO CCCc1ccc(C[NH2+]CC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1 ZINC000997770899 985735617 /nfs/dbraw/zinc/73/56/17/985735617.db2.gz ALRZMWXCLSAPQX-RTBURBONSA-N 1 0 359.470 2.633 20 5 FFBDRO O=C1OCCN1c1cc([N+](=O)[O-])ccc1NC1CC[NH+](CC2CC2)CC1 ZINC000174692908 986611658 /nfs/dbraw/zinc/61/16/58/986611658.db2.gz GGZHGOQKACRCPQ-UHFFFAOYSA-N 1 0 360.414 2.838 20 5 FFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[C@H]2C[N@@H+](CC3CCCCCC3)C[C@H]2CC1 ZINC000946589352 988765722 /nfs/dbraw/zinc/76/57/22/988765722.db2.gz UOGWFTHQQXCLBC-FCGDIQPGSA-N 1 0 363.502 2.792 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H]1[C@H](O)c1ccccc1 ZINC000879244545 1015434492 /nfs/dbraw/zinc/43/44/92/1015434492.db2.gz QZKMEIVRRIXDRB-YVWKXTFCSA-N 1 0 372.421 2.533 20 5 FFBDRO COc1cccc(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000193989614 989120224 /nfs/dbraw/zinc/12/02/24/989120224.db2.gz NTJZOLQFAHYAFO-UHFFFAOYSA-N 1 0 369.421 2.782 20 5 FFBDRO O=C(NC1CC[NH+](CC2CC2)CC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000194225096 989185684 /nfs/dbraw/zinc/18/56/84/989185684.db2.gz WCLNIQWNGGRJPR-UHFFFAOYSA-N 1 0 372.469 2.799 20 5 FFBDRO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC[NH+](Cc2ccccc2C2CC2)CC1 ZINC001005383707 989741079 /nfs/dbraw/zinc/74/10/79/989741079.db2.gz VNTDLNMVLYTIFL-RTBURBONSA-N 1 0 357.454 2.652 20 5 FFBDRO Cc1ccc(NC(=O)[C@@H]([NH2+]C(C)(C)CO)c2ccccc2)c([N+](=O)[O-])c1 ZINC000916572461 989826819 /nfs/dbraw/zinc/82/68/19/989826819.db2.gz IXMUOZBAQRRHLG-KRWDZBQOSA-N 1 0 357.410 2.944 20 5 FFBDRO C[NH+]1CCN(c2cccc(-c3noc(-c4ccc([N+](=O)[O-])o4)n3)c2)CC1 ZINC001212570007 990753041 /nfs/dbraw/zinc/75/30/41/990753041.db2.gz IMDGUBDIZHKCQE-UHFFFAOYSA-N 1 0 355.354 2.657 20 5 FFBDRO Cn1nnc2c1C[C@@H]([NH2+]Cc1ccc(-c3ccc([N+](=O)[O-])cc3)o1)CC2 ZINC000922992242 990783738 /nfs/dbraw/zinc/78/37/38/990783738.db2.gz BFYZMNIGBLWTCI-ZDUSSCGKSA-N 1 0 353.382 2.630 20 5 FFBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+][C@H]1C[C@@](CO)(c3ccccc3)C1)OCCO2 ZINC000923010554 990790597 /nfs/dbraw/zinc/79/05/97/990790597.db2.gz UXKMPEIKHPTPMM-MOBUCQHHSA-N 1 0 370.405 2.548 20 5 FFBDRO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000068964534 991554227 /nfs/dbraw/zinc/55/42/27/991554227.db2.gz WTGMSBILBVZYGG-GOEBONIOSA-N 1 0 373.457 2.919 20 5 FFBDRO O=C(NC1(C[NH2+]Cc2ccccc2Cl)CCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001485450738 991943218 /nfs/dbraw/zinc/94/32/18/991943218.db2.gz MCKUIQXZGYIAPQ-GDBMZVCRSA-N 1 0 365.861 2.914 20 5 FFBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880263005 1015793376 /nfs/dbraw/zinc/79/33/76/1015793376.db2.gz VPQWCBBZLLPXQT-HUUCEWRRSA-N 1 0 369.425 2.528 20 5 FFBDRO Cn1cc(CN2CC(O)(c3ccccc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000811508849 995170589 /nfs/dbraw/zinc/17/05/89/995170589.db2.gz HEWKNWFUYMYFFL-UHFFFAOYSA-N 1 0 364.405 2.699 20 5 FFBDRO CC[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H](C)[C@H](O)c1ccccc1 ZINC000812851772 995553304 /nfs/dbraw/zinc/55/33/04/995553304.db2.gz ZAOFRHXBPWJBEL-KNBMTAEXSA-N 1 0 374.437 2.779 20 5 FFBDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001136839292 996846298 /nfs/dbraw/zinc/84/62/98/996846298.db2.gz DHPBPWJPGZARKY-ZDUSSCGKSA-N 1 0 356.426 2.744 20 5 FFBDRO C[N@@H+]1CC[C@H]2CN(C(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)CC[C@@H]21 ZINC000827277682 1016124464 /nfs/dbraw/zinc/12/44/64/1016124464.db2.gz OFLVQJLQUYSQLA-YWZLYKJASA-N 1 0 361.445 2.848 20 5 FFBDRO COCC[N@H+]1[C@H](C)CN(C(=O)/C=C(\C)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000844021577 997588173 /nfs/dbraw/zinc/58/81/73/997588173.db2.gz COIJRTBSEIWCHM-YIMOIBLRSA-N 1 0 361.442 2.566 20 5 FFBDRO C[NH+](C)CCN(CCc1ccccc1)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000731459791 997927329 /nfs/dbraw/zinc/92/73/29/997927329.db2.gz LNQMPHILPARBFX-UHFFFAOYSA-N 1 0 359.401 2.980 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCNC(=O)c1ccc(F)cc1 ZINC000731450450 997943851 /nfs/dbraw/zinc/94/38/51/997943851.db2.gz VJBWFOUOACDSIY-UHFFFAOYSA-N 1 0 361.373 2.652 20 5 FFBDRO COc1nc(-n2cc(C[C@H](C)[NH3+])c3ccc(C)cc32)nc(C)c1[N+](=O)[O-] ZINC001171164587 998376573 /nfs/dbraw/zinc/37/65/73/998376573.db2.gz JGCVAPCHNJYQCV-NSHDSACASA-N 1 0 355.398 2.844 20 5 FFBDRO CN(C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000732165173 998498111 /nfs/dbraw/zinc/49/81/11/998498111.db2.gz CTWKVROQQZJTEA-KRWDZBQOSA-N 1 0 372.469 2.894 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@H]1COC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000845735484 998641872 /nfs/dbraw/zinc/64/18/72/998641872.db2.gz NFDVLYCYIMPAQG-HNNXBMFYSA-N 1 0 358.398 2.810 20 5 FFBDRO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000733158793 998901581 /nfs/dbraw/zinc/90/15/81/998901581.db2.gz QYZBONUGWKJYDT-MRXNPFEDSA-N 1 0 373.409 2.714 20 5 FFBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@]1(CO)CCCN(Cc2ccccc2)C1 ZINC000733898732 999127354 /nfs/dbraw/zinc/12/73/54/999127354.db2.gz TXLCVWCILQDROA-HXUWFJFHSA-N 1 0 355.438 2.712 20 5 FFBDRO C[C@@H]1CCCCC[N@@H+]1CN1C(=O)N[C@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000738227502 999623287 /nfs/dbraw/zinc/62/32/87/999623287.db2.gz WJRVSIPOHKONQV-FZKQIMNGSA-N 1 0 360.414 2.584 20 5 FFBDRO Nc1ccc(C(=O)N(CC[NH+]2CCCC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000739800558 999653123 /nfs/dbraw/zinc/65/31/23/999653123.db2.gz PWVBUKGFSUKBDN-UHFFFAOYSA-N 1 0 354.410 2.920 20 5 FFBDRO CCN(CC[NH2+]Cc1c(C)c(C)c(C)c(C)c1C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001273374185 999688145 /nfs/dbraw/zinc/68/81/45/999688145.db2.gz HDKPAABFUWZXDA-IEBWSBKVSA-N 1 0 361.486 2.832 20 5 FFBDRO Cc1nn(CN2C[C@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000766376522 999989719 /nfs/dbraw/zinc/98/97/19/999989719.db2.gz NZJJPPXONHQCEJ-GJZGRUSLSA-N 1 0 357.458 2.960 20 5 FFBDRO [NH3+]Cc1cccc(-c2nnn(-c3ccc([N+](=O)[O-])cc3C(F)(F)F)n2)c1 ZINC001168884427 1000006666 /nfs/dbraw/zinc/00/66/66/1000006666.db2.gz KWUPNVIVITWCOC-UHFFFAOYSA-N 1 0 364.287 2.715 20 5 FFBDRO C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn([C@H]3CC[C@@H](C[N+](=O)[O-])C3)cc2)CC1 ZINC001168981157 1000012411 /nfs/dbraw/zinc/01/24/11/1000012411.db2.gz GOCQDZWDYLVRQQ-HYLOQDLHSA-N 1 0 374.485 2.687 20 5 FFBDRO CC(C)(C)OC(=O)N1CCC[C@](F)(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168964784 1000012933 /nfs/dbraw/zinc/01/29/33/1000012933.db2.gz WEIVJCGXWVPDKG-ZQIUZPCESA-N 1 0 359.442 2.761 20 5 FFBDRO CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]([NH2+][C@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@@H]2C1 ZINC001168965051 1000013244 /nfs/dbraw/zinc/01/32/44/1000013244.db2.gz XPMQAGBCWOINFC-ARKGTOAJSA-N 1 0 353.463 2.667 20 5 FFBDRO CC(C)(C)OC(=O)NC1CC2(C1)CC([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001168968439 1000013272 /nfs/dbraw/zinc/01/32/72/1000013272.db2.gz ZCCCIPGUGWBSPK-MLAAGKJSSA-N 1 0 353.463 2.857 20 5 FFBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]C2(c3cccc(Br)c3)COC2)C1 ZINC001168970685 1000013505 /nfs/dbraw/zinc/01/35/05/1000013505.db2.gz IIHPWJRHNXHBBS-SMDDNHRTSA-N 1 0 355.232 2.710 20 5 FFBDRO COc1cc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)ccc1OC1CCOCC1 ZINC001168999064 1000014485 /nfs/dbraw/zinc/01/44/85/1000014485.db2.gz ROPWWGPYXAHQCK-JKSUJKDBSA-N 1 0 364.442 2.788 20 5 FFBDRO CC(C)(C)OC(=O)N1CC2(C1)CCCC[N@@H+]2[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169011394 1000015587 /nfs/dbraw/zinc/01/55/87/1000015587.db2.gz KDAJAMMPHBZCJR-HUUCEWRRSA-N 1 0 353.463 2.907 20 5 FFBDRO O=C(c1ccc(Cl)cc1)N1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169038956 1000017065 /nfs/dbraw/zinc/01/70/65/1000017065.db2.gz LUGSUMWVPSTPTD-CZUORRHYSA-N 1 0 351.834 2.543 20 5 FFBDRO CN1c2ccccc2C2(CC[NH+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)CC1=O ZINC001169018637 1000017201 /nfs/dbraw/zinc/01/72/01/1000017201.db2.gz BIWYMIWFVVGLKM-HOTGVXAUSA-N 1 0 357.454 2.832 20 5 FFBDRO Cc1ccc(N2C[C@]3(CC[N@@H+]([C@@H]4CC[C@@H](C[N+](=O)[O-])C4)C3)CC2=O)s1 ZINC001169020113 1000017417 /nfs/dbraw/zinc/01/74/17/1000017417.db2.gz IHYJSKMSQPNCNN-IIDMSEBBSA-N 1 0 363.483 2.931 20 5 FFBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2CC[C@H]3O[C@@H](COc4cccnc4)CC[C@H]32)C1 ZINC001169019195 1000017559 /nfs/dbraw/zinc/01/75/59/1000017559.db2.gz FJIHNJWRMDVLAJ-ZPKKHLQPSA-N 1 0 361.442 2.528 20 5 FFBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCC3(C[C@@H](Oc4cccnc4)CO3)CC2)C1 ZINC001169019322 1000017642 /nfs/dbraw/zinc/01/76/42/1000017642.db2.gz HUWVIUDJBVDIRV-JFIYKMOQSA-N 1 0 361.442 2.529 20 5 FFBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2CC[C@H]3O[C@@H](COc4cccnc4)CC[C@H]32)C1 ZINC001169019188 1000017651 /nfs/dbraw/zinc/01/76/51/1000017651.db2.gz FJIHNJWRMDVLAJ-BHEBFOIGSA-N 1 0 361.442 2.528 20 5 FFBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2C[C@@H]3COC[C@]3(COCC3CCCC3)C2)C1 ZINC001169025800 1000018290 /nfs/dbraw/zinc/01/82/90/1000018290.db2.gz VJGAENBQOIRTFY-ZSYWTGECSA-N 1 0 352.475 2.587 20 5 FFBDRO COc1ccc2c(c1)NC(=O)C[C@H]2CNc1cc2c(cc1[N+](=O)[O-])C[NH2+]C2 ZINC001169922505 1000088312 /nfs/dbraw/zinc/08/83/12/1000088312.db2.gz OMELCGAUZMSTFT-ZDUSSCGKSA-N 1 0 368.393 2.745 20 5 FFBDRO CC[C@H]([NH2+]CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[C@H]1CC1(C)C ZINC001171285909 1000761510 /nfs/dbraw/zinc/76/15/10/1000761510.db2.gz FXMUBBFKMWIOJB-MSOLQXFVSA-N 1 0 374.485 2.658 20 5 FFBDRO COC(=O)c1ncc([N+](=O)[O-])c(C)c1-n1c(CC[NH3+])cc2ccccc21 ZINC001171302042 1000868630 /nfs/dbraw/zinc/86/86/30/1000868630.db2.gz IJDXCSMMWVJZNL-UHFFFAOYSA-N 1 0 354.366 2.530 20 5 FFBDRO Cc1ccc(NCCCNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)c([N+](=O)[O-])c1 ZINC001147330724 1000872562 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1 0 366.418 2.836 20 5 FFBDRO COCC[N@H+](Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1)[C@H]1CC[C@@H](C)C1 ZINC000790477750 1002388213 /nfs/dbraw/zinc/38/82/13/1002388213.db2.gz JHWAFSBIOYLKEK-ZBFHGGJFSA-N 1 0 359.430 2.948 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCC(C)(C)[NH+]2CCCCC2)cc1F ZINC001185000670 1002784587 /nfs/dbraw/zinc/78/45/87/1002784587.db2.gz BFACUFFHQAXHQA-UHFFFAOYSA-N 1 0 373.450 2.585 20 5 FFBDRO CN(Cc1ccc2c(c1)OCCO2)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000774822712 1002813049 /nfs/dbraw/zinc/81/30/49/1002813049.db2.gz PCHODSAVKVDMRJ-UHFFFAOYSA-N 1 0 359.338 2.906 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(N(C(N)=[NH2+])c2ccc(N3CCOCC3)cc2)c1F ZINC001170167429 1003011158 /nfs/dbraw/zinc/01/11/58/1003011158.db2.gz HEBPLKJNGMFETF-UHFFFAOYSA-N 1 0 373.388 2.910 20 5 FFBDRO C[N@@H+]1CCC[C@@H]2CN(c3c4cc([N+](=O)[O-])ccc4ncc3[N+](=O)[O-])CC[C@@H]21 ZINC001185701247 1003026997 /nfs/dbraw/zinc/02/69/97/1003026997.db2.gz FTCIVELAEORKBH-WBMJQRKESA-N 1 0 371.397 2.972 20 5 FFBDRO CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNc2ncnc3cc4ccccc4cc32)O1 ZINC001170276256 1003084523 /nfs/dbraw/zinc/08/45/23/1003084523.db2.gz BFKLHJSBGCQGLF-GGPKGHCWSA-N 1 0 352.438 2.920 20 5 FFBDRO COc1ccc(C[C@H](C)[NH2+]CC(=O)N2CCc3ccccc32)c([N+](=O)[O-])c1 ZINC001170297188 1003091906 /nfs/dbraw/zinc/09/19/06/1003091906.db2.gz LUDWCUHLDLUYSX-AWEZNQCLSA-N 1 0 369.421 2.713 20 5 FFBDRO COc1ccc(C[C@@H](C)[NH2+]CCCN2CCCCCC2=O)c([N+](=O)[O-])c1 ZINC001170312153 1003104352 /nfs/dbraw/zinc/10/43/52/1003104352.db2.gz DBSMGUPESMTYSY-OAHLLOKOSA-N 1 0 363.458 2.917 20 5 FFBDRO COc1ccc(C[C@@H](C)[NH2+][C@@H](CC(C)C)C(=O)N(C)C)c([N+](=O)[O-])c1 ZINC001170326835 1003112880 /nfs/dbraw/zinc/11/28/80/1003112880.db2.gz OLNIWEJJKUTQCO-CJNGLKHVSA-N 1 0 351.447 2.627 20 5 FFBDRO COc1ccc(C[C@H](C)[NH2+]Cc2ccc3c(c2)NC(=O)CO3)c([N+](=O)[O-])c1 ZINC001170326402 1003113653 /nfs/dbraw/zinc/11/36/53/1003113653.db2.gz JBNVBRGDEFSHLP-LBPRGKRZSA-N 1 0 371.393 2.655 20 5 FFBDRO COc1ccc(C[C@@H](C)[N@@H+]2CCCC[C@@]23CC(=O)N(C)C3)c([N+](=O)[O-])c1 ZINC001170340482 1003130580 /nfs/dbraw/zinc/13/05/80/1003130580.db2.gz MBPQAXMAKZZVGF-KUHUBIRLSA-N 1 0 361.442 2.621 20 5 FFBDRO COc1ccc(C[C@@H](C)[NH+]2CCC(C(C)(C)C(N)=O)CC2)c([N+](=O)[O-])c1 ZINC001170345806 1003131506 /nfs/dbraw/zinc/13/15/06/1003131506.db2.gz MBDPTGPUOIDKDD-CYBMUJFWSA-N 1 0 363.458 2.758 20 5 FFBDRO COC(=O)[C@@]1(C)CCC[N@@H+]([C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170345854 1003134285 /nfs/dbraw/zinc/13/42/85/1003134285.db2.gz MZYFFZWUTCYGAL-UGSOOPFHSA-N 1 0 350.415 2.810 20 5 FFBDRO O=[N+]([O-])c1cccc([N+](=O)[O-])c1NCC1([NH+]2CCCCC2)CCOCC1 ZINC000804465506 1003690386 /nfs/dbraw/zinc/69/03/86/1003690386.db2.gz BRXSFQWUTWQHKW-UHFFFAOYSA-N 1 0 364.402 2.950 20 5 FFBDRO O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000804563324 1003726870 /nfs/dbraw/zinc/72/68/70/1003726870.db2.gz VKGDKRUXQKAGAD-AWEZNQCLSA-N 1 0 364.402 2.584 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC001197668184 1004307695 /nfs/dbraw/zinc/30/76/95/1004307695.db2.gz IAYPCWSGOUZAID-CYBMUJFWSA-N 1 0 371.397 2.741 20 5 FFBDRO COc1cc2c(cc1OC)[C@@H](C1CC1)N(Cc1cn(C)nc1[N+](=O)[O-])CC2 ZINC001197701930 1004328488 /nfs/dbraw/zinc/32/84/88/1004328488.db2.gz QCIXTIJILWBXCV-GOSISDBHSA-N 1 0 372.425 2.855 20 5 FFBDRO C[C@]1(CO)CCC[N@@H+]1Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001193211409 1004404562 /nfs/dbraw/zinc/40/45/62/1004404562.db2.gz VTCQAVDCPFPLQR-OAHLLOKOSA-N 1 0 352.778 2.645 20 5 FFBDRO CCOC(=O)C1=C(Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)CC[NH2+]C1 ZINC001170516248 1004487568 /nfs/dbraw/zinc/48/75/68/1004487568.db2.gz RTFRHPXHRGJINK-UHFFFAOYSA-N 1 0 359.304 2.836 20 5 FFBDRO CCOC(=O)C1=C(Nc2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC[NH2+]C1 ZINC001170516783 1004498238 /nfs/dbraw/zinc/49/82/38/1004498238.db2.gz GCFFANCWQYUFGM-UHFFFAOYSA-N 1 0 359.304 2.836 20 5 FFBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000108346336 1005654930 /nfs/dbraw/zinc/65/49/30/1005654930.db2.gz UIHHIGHOAPXUTP-MRXNPFEDSA-N 1 0 374.485 2.903 20 5 FFBDRO O=C(COc1cccc([N+](=O)[O-])c1)OC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000851465187 1005888531 /nfs/dbraw/zinc/88/85/31/1005888531.db2.gz BRIPHZAGFOCORP-QGZVFWFLSA-N 1 0 356.378 2.791 20 5 FFBDRO C[C@H]1CN(C(=O)OC(C)(C)C)CCN1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776582824 1005954377 /nfs/dbraw/zinc/95/43/77/1005954377.db2.gz VURHPTPUEOYMHZ-XJKSGUPXSA-N 1 0 365.430 2.569 20 5 FFBDRO CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776582084 1005962571 /nfs/dbraw/zinc/96/25/71/1005962571.db2.gz PSMSVJYIQAHBMF-IBGZPJMESA-N 1 0 371.437 2.852 20 5 FFBDRO Cc1ccc(CN2CCO[C@H](CNc3ncc(C)cc3[N+](=O)[O-])C2)cc1 ZINC001187351144 1006053953 /nfs/dbraw/zinc/05/39/53/1006053953.db2.gz CFTVBMJLMYDSJY-QGZVFWFLSA-N 1 0 356.426 2.920 20 5 FFBDRO CC(C)(C)OC(=O)[C@@H](C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000853133601 1006308385 /nfs/dbraw/zinc/30/83/85/1006308385.db2.gz LROYIVFXMUMBSL-DLBZAZTESA-N 1 0 364.442 2.976 20 5 FFBDRO Cn1cc([N+](=O)[O-])cc1C(=O)O[C@H](C[NH+](C)C)c1cc(F)c(F)c(F)c1 ZINC000853210576 1006331528 /nfs/dbraw/zinc/33/15/28/1006331528.db2.gz APOHOLXCWGUZBP-CQSZACIVSA-N 1 0 371.315 2.810 20 5 FFBDRO O=[N+]([O-])c1cc(N[C@@H](Cc2ccccc2)C[NH+]2CCCC2)cn2cnnc12 ZINC001170752626 1006353880 /nfs/dbraw/zinc/35/38/80/1006353880.db2.gz RZXXUKWNXUOTCB-INIZCTEOSA-N 1 0 366.425 2.757 20 5 FFBDRO CC1([NH+]2CCC2)CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 ZINC000882499457 1006413456 /nfs/dbraw/zinc/41/34/56/1006413456.db2.gz OOFOVQJDYQDJSK-UHFFFAOYSA-N 1 0 372.469 2.895 20 5 FFBDRO O=[N+]([O-])c1cn(CN2CC[C@@H](Oc3ccccc3)C2)nc1-c1ccccn1 ZINC000853593179 1006465202 /nfs/dbraw/zinc/46/52/02/1006465202.db2.gz FTYYJOBWYAOFIX-MRXNPFEDSA-N 1 0 365.393 2.964 20 5 FFBDRO C[C@@H](c1ccccc1)[NH+]1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000882811571 1006514699 /nfs/dbraw/zinc/51/46/99/1006514699.db2.gz ZQBJKDZPENLHSE-AWEZNQCLSA-N 1 0 352.398 2.521 20 5 FFBDRO C[C@@H]([NH2+]CC(=O)Nc1ccc(F)c(F)c1F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815553514 1006681194 /nfs/dbraw/zinc/68/11/94/1006681194.db2.gz BTZMDEACGSUGLV-MRVPVSSYSA-N 1 0 368.315 2.884 20 5 FFBDRO C[C@@H]([NH2+]CCCNC(=O)c1cccc(F)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815592697 1006702412 /nfs/dbraw/zinc/70/24/12/1006702412.db2.gz PODSXADKRWFWOJ-GFCCVEGCSA-N 1 0 360.389 2.787 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(Cc2noc(-c3cccc4c3CC[NH2+]C4)n2)c1 ZINC000854153838 1006708797 /nfs/dbraw/zinc/70/87/97/1006708797.db2.gz WBGLNZGAKFQKBG-UHFFFAOYSA-N 1 0 366.377 2.890 20 5 FFBDRO Cc1c[nH+]ccc1N1CCC(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000854497633 1006857577 /nfs/dbraw/zinc/85/75/77/1006857577.db2.gz SYTLTDJZYASVIU-UHFFFAOYSA-N 1 0 355.398 2.736 20 5 FFBDRO CCCN(CC[NH+](CC)CC)S(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC001189039753 1006864691 /nfs/dbraw/zinc/86/46/91/1006864691.db2.gz DCMYYSTWSSCTSE-UHFFFAOYSA-N 1 0 371.503 2.954 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC001189253717 1006976053 /nfs/dbraw/zinc/97/60/53/1006976053.db2.gz OXGOZMKJXZWKEB-WFASDCNBSA-N 1 0 369.487 2.610 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1 ZINC000855161194 1007141800 /nfs/dbraw/zinc/14/18/00/1007141800.db2.gz MTOSTBSWMXMXQX-GFCCVEGCSA-N 1 0 355.385 2.923 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)c1C ZINC000884340562 1007383668 /nfs/dbraw/zinc/38/36/68/1007383668.db2.gz KXACVLJBIUMPRK-MAUKXSAKSA-N 1 0 361.442 2.570 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)c1C ZINC000884342846 1007385013 /nfs/dbraw/zinc/38/50/13/1007385013.db2.gz LMAWUUZTZNUCOI-RDJZCZTQSA-N 1 0 361.442 2.570 20 5 FFBDRO CC1(C)[C@@H]([NH3+])C[C@@H]1NC(=O)c1cc(F)cc2c1[nH]c1ccc(F)cc1c2=O ZINC000884360979 1007394161 /nfs/dbraw/zinc/39/41/61/1007394161.db2.gz JTNMPJQWXGFLIZ-HOTGVXAUSA-N 1 0 371.387 2.815 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C ZINC000817433483 1007605051 /nfs/dbraw/zinc/60/50/51/1007605051.db2.gz RIOIKRMXDLCJGT-UHFFFAOYSA-N 1 0 370.409 2.624 20 5 FFBDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000855899891 1007631417 /nfs/dbraw/zinc/63/14/17/1007631417.db2.gz WZZRKUCAYHXHBG-CYBMUJFWSA-N 1 0 366.437 2.650 20 5 FFBDRO CC(C)C[C@@H](C[NH+]1CCCC1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC001190569237 1007699316 /nfs/dbraw/zinc/69/93/16/1007699316.db2.gz ONUAOHAFEGOQRT-ZDUSSCGKSA-N 1 0 373.450 2.523 20 5 FFBDRO O=C(NCC1CC[NH+](CC2CC2)CC1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000856414125 1007815283 /nfs/dbraw/zinc/81/52/83/1007815283.db2.gz AFKIAMHZGXJHMC-UHFFFAOYSA-N 1 0 367.396 2.925 20 5 FFBDRO [NH3+]CCC[C@@H](NC(=O)COc1ccc([N+](=O)[O-])c(F)c1)c1ccccc1 ZINC000818006095 1007850028 /nfs/dbraw/zinc/85/00/28/1007850028.db2.gz XTMDMIRKABOKDX-MRXNPFEDSA-N 1 0 361.373 2.709 20 5 FFBDRO C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1)[C@@H]1CCC[NH2+]C1 ZINC000818533989 1007927476 /nfs/dbraw/zinc/92/74/76/1007927476.db2.gz ZBZJCJQYISIBGT-JKSUJKDBSA-N 1 0 374.485 2.949 20 5 FFBDRO CC(C)[C@H](CC[N@H+](C)CCn1cc([N+](=O)[O-])cn1)NC(=O)OC(C)(C)C ZINC001191289577 1007957139 /nfs/dbraw/zinc/95/71/39/1007957139.db2.gz PWAGDRSUEGBVEA-HNNXBMFYSA-N 1 0 369.466 2.663 20 5 FFBDRO CCn1c(CC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)nc2ccccc21 ZINC000818982969 1008000495 /nfs/dbraw/zinc/00/04/95/1008000495.db2.gz AAIQUZHIKPTXNC-GOSISDBHSA-N 1 0 354.410 2.830 20 5 FFBDRO COc1ccccc1N1CC[C@H](C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000818990232 1008002561 /nfs/dbraw/zinc/00/25/61/1008002561.db2.gz VCBNKVPSPANYTC-BEFAXECRSA-N 1 0 371.437 2.753 20 5 FFBDRO CN(C)[C@H](C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1c(F)cccc1F ZINC000819074644 1008037576 /nfs/dbraw/zinc/03/75/76/1008037576.db2.gz XVLSKOSVQICQBS-IAGOWNOFSA-N 1 0 365.380 2.799 20 5 FFBDRO CC(C)(C)OC(=O)NC1(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000819223135 1008077123 /nfs/dbraw/zinc/07/71/23/1008077123.db2.gz CQVUHQRBDNZMQJ-HNNXBMFYSA-N 1 0 365.430 2.665 20 5 FFBDRO C[C@@H]1[C@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000819316078 1008110273 /nfs/dbraw/zinc/11/02/73/1008110273.db2.gz MVMWXMQWNYQTIA-YSGRDPCXSA-N 1 0 355.438 2.881 20 5 FFBDRO COCC(C)(C)[NH+]1CCN(C(=O)/C=C(/C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000819635384 1008201586 /nfs/dbraw/zinc/20/15/86/1008201586.db2.gz GZGRFDBLPNJUQZ-SQFISAMPSA-N 1 0 361.442 2.567 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000821142804 1008419474 /nfs/dbraw/zinc/41/94/74/1008419474.db2.gz GIOJQHOXDOAWEQ-HYVNUMGLSA-N 1 0 361.442 2.535 20 5 FFBDRO CCC1([NH+]2CCOCC2)CCN(c2cc(OC)c(C)cc2[N+](=O)[O-])CC1 ZINC000858823201 1008430826 /nfs/dbraw/zinc/43/08/26/1008430826.db2.gz OMNIQWOSUCQRLI-UHFFFAOYSA-N 1 0 363.458 2.993 20 5 FFBDRO CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)NCC[NH+](C(C)C)C(C)C ZINC000822237653 1008544005 /nfs/dbraw/zinc/54/40/05/1008544005.db2.gz DJXPYZBAUVYLME-UHFFFAOYSA-N 1 0 368.409 2.541 20 5 FFBDRO O=C(CC[N@H+]1CCc2c(O)cccc2C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000859947067 1008739278 /nfs/dbraw/zinc/73/92/78/1008739278.db2.gz UMMQNULTCCOYBF-UHFFFAOYSA-N 1 0 359.357 2.826 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000886617309 1008774149 /nfs/dbraw/zinc/77/41/49/1008774149.db2.gz KIWVXEGMVAUAQL-XEZPLFJOSA-N 1 0 374.359 2.999 20 5 FFBDRO CN1CC[NH+](CCCO[C@@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)CC1 ZINC001206595343 1032359340 /nfs/dbraw/zinc/35/93/40/1032359340.db2.gz FBNAQFYNARQWEJ-HNNXBMFYSA-N 1 0 361.364 2.852 20 5 FFBDRO O=C(NCCCCCC[NH2+]CCCc1cccc(F)c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001178464678 1008999250 /nfs/dbraw/zinc/99/92/50/1008999250.db2.gz XDWSWVKIBFJGHJ-QZTJIDSGSA-N 1 0 365.449 2.690 20 5 FFBDRO C[C@H](NC(=O)Nc1ccc(N)c([N+](=O)[O-])c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000823961483 1009280802 /nfs/dbraw/zinc/28/08/02/1009280802.db2.gz FTHRGXAKNAXKCE-SJCJKPOMSA-N 1 0 357.414 2.990 20 5 FFBDRO C[C@H]1Cc2cc(C[N@@H+]3CC[C@@H](Nc4ccc([N+](=O)[O-])cn4)C3)ccc2O1 ZINC001179937398 1009498839 /nfs/dbraw/zinc/49/88/39/1009498839.db2.gz LWLWOWHNJGRQDE-XJKSGUPXSA-N 1 0 354.410 3.000 20 5 FFBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134909198 1009501615 /nfs/dbraw/zinc/50/16/15/1009501615.db2.gz WCDXYMFMJJEDRK-HDMKZQKVSA-N 1 0 372.469 2.871 20 5 FFBDRO COc1c(O)ccc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)c1[N+](=O)[O-] ZINC001180112366 1009567673 /nfs/dbraw/zinc/56/76/73/1009567673.db2.gz IQWGUVRYGWVMNJ-UKRRQHHQSA-N 1 0 362.382 2.990 20 5 FFBDRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3cc([N+](=O)[O-])cc4ccccc43)[C@H]2C1 ZINC000861832621 1009577413 /nfs/dbraw/zinc/57/74/13/1009577413.db2.gz JMJJBLYQLXZTAW-RBUKOAKNSA-N 1 0 369.421 2.683 20 5 FFBDRO COc1cc(CN(C)C[C@@H](C)[NH3+])ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000863651660 1010276102 /nfs/dbraw/zinc/27/61/02/1010276102.db2.gz KNFJTUYLLRRVJL-CQSZACIVSA-N 1 0 359.426 2.961 20 5 FFBDRO COc1ccccc1[C@H](O)C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000774134020 1010486984 /nfs/dbraw/zinc/48/69/84/1010486984.db2.gz KACCUZCUNLHICD-HRCADAONSA-N 1 0 360.414 2.607 20 5 FFBDRO COCCN(CC1CC[NH+](C)CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000866033748 1010912276 /nfs/dbraw/zinc/91/22/76/1010912276.db2.gz XDRYTZVOAJATAX-UHFFFAOYSA-N 1 0 368.409 2.556 20 5 FFBDRO C[NH+]1CCC2(CCN(c3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)CC2)CC1 ZINC000866055192 1010917985 /nfs/dbraw/zinc/91/79/85/1010917985.db2.gz QYHDRVMCGDGGIV-UHFFFAOYSA-N 1 0 358.442 2.792 20 5 FFBDRO Cc1nn(C[N@@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000773262164 1010946139 /nfs/dbraw/zinc/94/61/39/1010946139.db2.gz OCKFNFXBKXTPDA-CABCVRRESA-N 1 0 359.430 2.744 20 5 FFBDRO CN(CC[NH+]1CC2(C1)CCOCC2)c1nccc2cc([N+](=O)[O-])ccc21 ZINC000866257673 1010963864 /nfs/dbraw/zinc/96/38/64/1010963864.db2.gz GTWMCFVCBMEBMC-UHFFFAOYSA-N 1 0 356.426 2.692 20 5 FFBDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@H](C)Cc3ccc(F)cc3[N+](=O)[O-])[C@H]2C1 ZINC000866360686 1010983639 /nfs/dbraw/zinc/98/36/39/1010983639.db2.gz XZOANCFEALBIKK-VFAJRCTISA-N 1 0 363.433 2.902 20 5 FFBDRO Cn1cc(CC[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c2cccnc21 ZINC000866574359 1011018371 /nfs/dbraw/zinc/01/83/71/1011018371.db2.gz VCLHZBFHAOTQMG-IRXDYDNUSA-N 1 0 368.441 2.994 20 5 FFBDRO O=C1NCCN1Cc1ccc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000866577430 1011019347 /nfs/dbraw/zinc/01/93/47/1011019347.db2.gz OOHKYNHCUCJVMM-SFHVURJKSA-N 1 0 366.421 2.897 20 5 FFBDRO C[C@@]([NH3+])(C(=O)N[C@H](Cc1ccccc1)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000867944879 1011127827 /nfs/dbraw/zinc/12/78/27/1011127827.db2.gz KNSSJDJXCYWYOW-QUCCMNQESA-N 1 0 353.422 2.906 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000868077904 1011160328 /nfs/dbraw/zinc/16/03/28/1011160328.db2.gz HHDWFSLURYPKDQ-UHFFFAOYSA-N 1 0 364.446 2.666 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(C[NH2+][C@@H](CO)C2CCC2)o1 ZINC001171911415 1011532780 /nfs/dbraw/zinc/53/27/80/1011532780.db2.gz MENQQPYFXTUQLC-LBPRGKRZSA-N 1 0 352.778 2.549 20 5 FFBDRO COCCN(CC1CC[NH+](C)CC1)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000869767672 1011926626 /nfs/dbraw/zinc/92/66/26/1011926626.db2.gz REAYEMGJKQYIHC-UHFFFAOYSA-N 1 0 374.441 2.507 20 5 FFBDRO CC(=O)Oc1ccc(CN2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000122813870 1011995111 /nfs/dbraw/zinc/99/51/11/1011995111.db2.gz LRAWFSCSWIUTPO-UHFFFAOYSA-N 1 0 355.394 2.842 20 5 FFBDRO O=C(NCC[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1cccs1 ZINC001172899976 1012075781 /nfs/dbraw/zinc/07/57/81/1012075781.db2.gz ASTJGMHWFAXQBE-OAHLLOKOSA-N 1 0 359.451 2.923 20 5 FFBDRO COC(=O)c1cncc(C[NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)c1 ZINC001172904265 1012076469 /nfs/dbraw/zinc/07/64/69/1012076469.db2.gz VYTIUSPFJLEMJI-KRWDZBQOSA-N 1 0 355.394 2.814 20 5 FFBDRO O=C1NCc2ccccc2[C@H]1[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172912750 1012124959 /nfs/dbraw/zinc/12/49/59/1012124959.db2.gz OZFMVFZKWMMNLV-VQIMIIECSA-N 1 0 351.406 2.803 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H](N(c1ccncn1)C1CC[NH2+]CC1)CC2 ZINC001172912965 1012125671 /nfs/dbraw/zinc/12/56/71/1012125671.db2.gz NNINKCZRNREJAJ-KRWDZBQOSA-N 1 0 367.453 2.891 20 5 FFBDRO C[C@H]1C[N@@H+](C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)CC[C@@H]1O ZINC001173010223 1012179764 /nfs/dbraw/zinc/17/97/64/1012179764.db2.gz OAAAXZNQKIHBSE-ZBEGNZNMSA-N 1 0 355.385 2.545 20 5 FFBDRO C[C@@H]([NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1)c1cncnc1 ZINC001173010850 1012181992 /nfs/dbraw/zinc/18/19/92/1012181992.db2.gz IVFWHTQMWMIKAC-LLVKDONJSA-N 1 0 363.368 2.983 20 5 FFBDRO CC(C)N1CC[C@@H]([NH2+]C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)C1 ZINC001173012710 1012183798 /nfs/dbraw/zinc/18/37/98/1012183798.db2.gz WTCNOSXNJUFINS-CQSZACIVSA-N 1 0 368.428 2.914 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(N2CCC([N@@H+]3C[C@H]4CC[C@@H]3CO4)CC2)c(F)c1 ZINC001173015352 1012186008 /nfs/dbraw/zinc/18/60/08/1012186008.db2.gz BQRRGSKSCVEITI-TZMCWYRMSA-N 1 0 353.369 2.705 20 5 FFBDRO CCN1C[C@@H]2C[C@H]1C[N@@H+]2C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173015405 1012187617 /nfs/dbraw/zinc/18/76/17/1012187617.db2.gz CNQHGBAFILRSQA-GJZGRUSLSA-N 1 0 366.412 2.620 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(N2CCC([N@@H+]3CCOC4(CC4)C3)CC2)c(F)c1 ZINC001173019981 1012191495 /nfs/dbraw/zinc/19/14/95/1012191495.db2.gz NRSFWKVWYKQHGG-UHFFFAOYSA-N 1 0 353.369 2.707 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CCCCCNC(C)=O)c1F ZINC001173185019 1012329247 /nfs/dbraw/zinc/32/92/47/1012329247.db2.gz UMGRVAOTBAPUNZ-GFCCVEGCSA-N 1 0 355.410 2.570 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C[C@@H](O)c2cccc(O)c2)c1F ZINC001173188877 1012330146 /nfs/dbraw/zinc/33/01/46/1012330146.db2.gz LTJXQUSCERZZIB-BDJLRTHQSA-N 1 0 364.373 2.702 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CC[N@@H+]3CCCC[C@@H]3C2)c1F ZINC001173189895 1012332663 /nfs/dbraw/zinc/33/26/63/1012332663.db2.gz OIEMHPVDASRDTC-UONOGXRCSA-N 1 0 351.422 2.844 20 5 FFBDRO COC(=O)[C@H]1CCC[N@@H+]([C@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])CC1 ZINC001173192000 1012333892 /nfs/dbraw/zinc/33/38/92/1012333892.db2.gz HELPPXYIOMMGFX-OLZOCXBDSA-N 1 0 368.405 2.949 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2CC[C@@H](c3nc(C)no3)C2)c1F ZINC001173197577 1012339805 /nfs/dbraw/zinc/33/98/05/1012339805.db2.gz UPZIWBKKIMTOLF-ZYHUDNBSSA-N 1 0 364.377 2.854 20 5 FFBDRO CCn1ncc2c1[C@H](COC)C[N@@H+]([C@@H](C)Cc1ccc([N+](=O)[O-])cc1)C2 ZINC001173227236 1012360126 /nfs/dbraw/zinc/36/01/26/1012360126.db2.gz UELNFKBLEMRCFA-YOEHRIQHSA-N 1 0 358.442 2.988 20 5 FFBDRO COc1ccc(N2CC[NH+]([C@@H](C)Cc3ccc([N+](=O)[O-])cc3)CC2)nc1 ZINC001173232340 1012365557 /nfs/dbraw/zinc/36/55/57/1012365557.db2.gz AVKGVNKTPDOAAL-HNNXBMFYSA-N 1 0 356.426 2.752 20 5 FFBDRO COc1cc(N([C@H](C)Cc2ccc([N+](=O)[O-])cc2)C2CC[NH2+]CC2)ncn1 ZINC001173238166 1012385130 /nfs/dbraw/zinc/38/51/30/1012385130.db2.gz OEWOWTOACFBGJN-CQSZACIVSA-N 1 0 371.441 2.583 20 5 FFBDRO COc1ccnc(OC2CC[NH+]([C@H](C)Cc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC001173237773 1012385647 /nfs/dbraw/zinc/38/56/47/1012385647.db2.gz MIPOFJFFKKMJNN-CQSZACIVSA-N 1 0 372.425 2.868 20 5 FFBDRO CCCC[C@@H](C)[NH2+]C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001173695678 1012902177 /nfs/dbraw/zinc/90/21/77/1012902177.db2.gz PEQXXWUJCRNJNF-CQSZACIVSA-N 1 0 369.487 2.916 20 5 FFBDRO CCc1ccc([C@@H](NCCN2CCC([NH3+])CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000925811409 1017857181 /nfs/dbraw/zinc/85/71/81/1017857181.db2.gz IOXMAIGADNTBEQ-FQEVSTJZSA-N 1 0 372.469 2.852 20 5 FFBDRO C[C@@H](NC(=O)C1CCC([NH+]2CCOCC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000901331101 1018971802 /nfs/dbraw/zinc/97/18/02/1018971802.db2.gz WJUKHPYAGVPFTP-QQFBHYJXSA-N 1 0 361.442 2.663 20 5 FFBDRO C[NH+](C)CC[C@@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)c1cccnc1 ZINC000928836159 1019150994 /nfs/dbraw/zinc/15/09/94/1019150994.db2.gz FPXCMSAFCJFTEJ-GOSISDBHSA-N 1 0 356.426 2.732 20 5 FFBDRO COc1ccc(C[NH+](C)C)cc1NC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000801816639 1019412714 /nfs/dbraw/zinc/41/27/14/1019412714.db2.gz RKPFNFOFOJSHQF-UHFFFAOYSA-N 1 0 362.361 2.639 20 5 FFBDRO O=C(OCc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CC[NH+](C2CC2)CC1 ZINC000801873468 1019470704 /nfs/dbraw/zinc/47/07/04/1019470704.db2.gz SWDDQVYLGWCQGY-UHFFFAOYSA-N 1 0 372.381 2.562 20 5 FFBDRO CC(C)[N@@H+]1CCO[C@H](COC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000802132012 1019779723 /nfs/dbraw/zinc/77/97/23/1019779723.db2.gz UKOWKJWLUXUULG-AWEZNQCLSA-N 1 0 368.405 2.664 20 5 FFBDRO CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[NH+](Cc2cc3ccccc3o2)CC1 ZINC001045436372 1019965495 /nfs/dbraw/zinc/96/54/95/1019965495.db2.gz QHQXOICDCKKZOW-HZPDHXFCSA-N 1 0 357.410 2.569 20 5 FFBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H](O)CC[C@H](O)c1ccccc1 ZINC000930442223 1020035746 /nfs/dbraw/zinc/03/57/46/1020035746.db2.gz WHWBIOZAOLPYIX-ICSRJNTNSA-N 1 0 358.438 2.944 20 5 FFBDRO Cc1csc(C[C@H]2CC[N@H+](Cn3nc(C)c4cc([N+](=O)[O-])cnc43)C2)n1 ZINC000902540237 1020268902 /nfs/dbraw/zinc/26/89/02/1020268902.db2.gz LJWHLCQCDIZJIH-CYBMUJFWSA-N 1 0 372.454 2.935 20 5 FFBDRO C[N@@H+]1CCC[C@@H]2CN(Cn3cc(-c4cccc([N+](=O)[O-])c4)cn3)CC[C@@H]21 ZINC000777963008 1020355896 /nfs/dbraw/zinc/35/58/96/1020355896.db2.gz FORBQYITJLOWBY-APWZRJJASA-N 1 0 355.442 2.832 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1C[C@]2(C)CN(C)C[C@@]2(C)C1 ZINC000931308271 1020413832 /nfs/dbraw/zinc/41/38/32/1020413832.db2.gz SEVKWLDOVJRSBW-OALUTQOASA-N 1 0 360.458 2.505 20 5 FFBDRO O=C1CN(C[N@@H+]2CCC[C@H]2C2CCCC2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000726587525 1020490393 /nfs/dbraw/zinc/49/03/93/1020490393.db2.gz SGEOECGKAWNWOF-KRWDZBQOSA-N 1 0 372.425 2.976 20 5 FFBDRO Cc1cc(-c2nnn(CN(C)CCc3cccc([N+](=O)[O-])c3)n2)ccc1F ZINC000800866250 1020609838 /nfs/dbraw/zinc/60/98/38/1020609838.db2.gz CRKQKUSKHATEFL-UHFFFAOYSA-N 1 0 370.388 2.828 20 5 FFBDRO O=[N+]([O-])c1c2c(cc(Br)c1O[C@H]1C[NH2+]CC[C@@H]1F)CCC2 ZINC001217959511 1032920305 /nfs/dbraw/zinc/92/03/05/1032920305.db2.gz OEJAFXMAILRIHT-RYUDHWBXSA-N 1 0 359.195 2.925 20 5 FFBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC(c2ccn(C)n2)CC1 ZINC000932144532 1020723333 /nfs/dbraw/zinc/72/33/33/1020723333.db2.gz USHQUBXBQDCFHF-ZDUSSCGKSA-N 1 0 357.414 2.535 20 5 FFBDRO COc1cc([C@H](C)[NH2+][C@@H]2CCO[C@@H](c3ccnn3C)C2)cc([N+](=O)[O-])c1 ZINC000903186115 1020729476 /nfs/dbraw/zinc/72/94/76/1020729476.db2.gz ILSAOVGHYYSQMF-WPKBUWHJSA-N 1 0 360.414 2.908 20 5 FFBDRO COc1cc([C@@H](C)[NH2+][C@@H]2Cc3ccccc3N(C)C2=O)cc([N+](=O)[O-])c1 ZINC000903200721 1020736326 /nfs/dbraw/zinc/73/63/26/1020736326.db2.gz SNDBIKRPKVNXET-SJKOYZFVSA-N 1 0 355.394 2.842 20 5 FFBDRO O=[N+]([O-])c1ccc(O[C@H]2CCCC[NH2+]C2)c(I)c1 ZINC001217967461 1032924966 /nfs/dbraw/zinc/92/49/66/1032924966.db2.gz ASGPUAHSEIKVEJ-JTQLQIEISA-N 1 0 362.167 2.720 20 5 FFBDRO Cn1nccc1[C@H]1CCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000932263608 1020760042 /nfs/dbraw/zinc/76/00/42/1020760042.db2.gz FYVNCCVPAYLYCX-MRXNPFEDSA-N 1 0 361.377 2.633 20 5 FFBDRO COc1cc(Br)c(O[C@H]2C[NH2+]CCC[C@@H]2F)c([N+](=O)[O-])c1 ZINC001217971412 1032925478 /nfs/dbraw/zinc/92/54/78/1032925478.db2.gz HSEFOMXVEIPVQD-JQWIXIFHSA-N 1 0 363.183 2.835 20 5 FFBDRO O=[N+]([O-])c1cc(O[C@@H]2C[NH2+]CCC[C@H]2F)c(Br)cc1F ZINC001217971426 1032925934 /nfs/dbraw/zinc/92/59/34/1032925934.db2.gz IBMRJVMYWHBCMR-PRHODGIISA-N 1 0 351.147 2.965 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H](CO)c2ccccc2C(F)(F)F)cc1 ZINC000933241345 1020983278 /nfs/dbraw/zinc/98/32/78/1020983278.db2.gz KRAQNBJWGNIDHV-HZPDHXFCSA-N 1 0 370.327 2.970 20 5 FFBDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000749601114 1021011782 /nfs/dbraw/zinc/01/17/82/1021011782.db2.gz CBZMWIDRQZHYJC-CQSZACIVSA-N 1 0 367.421 2.884 20 5 FFBDRO COc1cc(CN2CCC(N3CCCOC3=O)CC2)c([N+](=O)[O-])cc1F ZINC000933618629 1021047275 /nfs/dbraw/zinc/04/72/75/1021047275.db2.gz RGVUAZCBHNYRLR-UHFFFAOYSA-N 1 0 367.377 2.549 20 5 FFBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@@]2(C=Cc3ccccc3O2)C1 ZINC000933657095 1021061679 /nfs/dbraw/zinc/06/16/79/1021061679.db2.gz PTHLRPCDBZCHBJ-HXUWFJFHSA-N 1 0 367.405 2.697 20 5 FFBDRO COc1cc(O[C@@H]2C[NH2+]CC[C@H]2C)c2c(c1)oc1c(O)ccc(O)c1c2=O ZINC001218042770 1032967019 /nfs/dbraw/zinc/96/70/19/1032967019.db2.gz DVUIMVUKRQBMKQ-QLJPJBMISA-N 1 0 371.389 2.743 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2Cc3ncccc3N3CCC[C@H]3C2)cc1 ZINC000934491658 1021258972 /nfs/dbraw/zinc/25/89/72/1021258972.db2.gz ZGBPUXYECMXUNW-LPHOPBHVSA-N 1 0 354.410 2.508 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H](Oc1ccc(CN3CC[NH2+]CC3)cc1)C2 ZINC001218046382 1032969752 /nfs/dbraw/zinc/96/97/52/1032969752.db2.gz XCBYYIJWECVIIN-FQEVSTJZSA-N 1 0 353.422 2.546 20 5 FFBDRO CC[N@@H+]1CCCC[C@@H]1CNc1c(C(=O)OC)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000750171471 1021466899 /nfs/dbraw/zinc/46/68/99/1021466899.db2.gz KTDXEWYUAQPKRX-LLVKDONJSA-N 1 0 366.374 2.576 20 5 FFBDRO C[NH+]1CCC([C@@H]2CCN(C(=O)[C@H]3C[C@@H]3c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000935087718 1021562404 /nfs/dbraw/zinc/56/24/04/1021562404.db2.gz XGQAAWYNYWMIBH-QRQLOZEOSA-N 1 0 357.454 2.889 20 5 FFBDRO CC[N@@H+]1CCC[C@H](CNC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C1 ZINC001118913022 1022471189 /nfs/dbraw/zinc/47/11/89/1022471189.db2.gz HZAKGEFNYUKKIY-CYBMUJFWSA-N 1 0 357.414 2.996 20 5 FFBDRO O=C1NCCC12CC[NH+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)CC2 ZINC001119324392 1022685541 /nfs/dbraw/zinc/68/55/41/1022685541.db2.gz VJFILXAKXZWSHD-UHFFFAOYSA-N 1 0 357.332 2.716 20 5 FFBDRO Cc1ccc(C)c(C[NH+]2CCC3(CCN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)CC2)c1 ZINC001040699503 1022954064 /nfs/dbraw/zinc/95/40/64/1022954064.db2.gz DPPQMQSTNKRULM-RTBURBONSA-N 1 0 371.481 2.783 20 5 FFBDRO C/C(=C/C(=O)N1CC[C@@H](OCC[NH+]2CCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000752574367 1023165935 /nfs/dbraw/zinc/16/59/35/1023165935.db2.gz BXXABYPOXVDQAJ-WLGQOEQESA-N 1 0 373.453 2.711 20 5 FFBDRO C[C@]([NH3+])(C(=O)N[C@H]1Cc2ccc(Cl)cc2C1)c1cccc([N+](=O)[O-])c1 ZINC001122419219 1023255808 /nfs/dbraw/zinc/25/58/08/1023255808.db2.gz YMPBAHZHOLDDTF-MAUKXSAKSA-N 1 0 359.813 2.706 20 5 FFBDRO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCCC[C@]12CCC[NH2+]C2 ZINC001122508616 1023309731 /nfs/dbraw/zinc/30/97/31/1023309731.db2.gz LOKRBAFXKLFDPU-HXUWFJFHSA-N 1 0 372.469 2.943 20 5 FFBDRO O=C1NC2(CO1)CC[NH+](Cc1ccc(-c3ccc([N+](=O)[O-])cc3)o1)CC2 ZINC000753586248 1023356147 /nfs/dbraw/zinc/35/61/47/1023356147.db2.gz GMDOEFDEHZJMFF-UHFFFAOYSA-N 1 0 357.366 2.929 20 5 FFBDRO O=[N+]([O-])c1cc(O[C@H]2C[NH2+]CCC23CC3)ccc1I ZINC001218407538 1033141744 /nfs/dbraw/zinc/14/17/44/1033141744.db2.gz YAOVUYCBHRUCMW-LBPRGKRZSA-N 1 0 374.178 2.720 20 5 FFBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)[C@H]3CCC[C@H](F)C3)c2)CC1 ZINC001121159118 1023630867 /nfs/dbraw/zinc/63/08/67/1023630867.db2.gz DNHKTHCKTKKRHV-KBPBESRZSA-N 1 0 364.421 2.813 20 5 FFBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)[C@@H]3CCC[C@H](F)C3)c2)CC1 ZINC001121159119 1023631289 /nfs/dbraw/zinc/63/12/89/1023631289.db2.gz DNHKTHCKTKKRHV-KGLIPLIRSA-N 1 0 364.421 2.813 20 5 FFBDRO COc1ccc(NC(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)c([N+](=O)[O-])c1 ZINC001123372155 1023765554 /nfs/dbraw/zinc/76/55/54/1023765554.db2.gz LYOJOGZQQIAYLC-HNNXBMFYSA-N 1 0 350.419 2.845 20 5 FFBDRO [NH3+]C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC[C@H]1C(F)(F)F ZINC001122089448 1024331994 /nfs/dbraw/zinc/33/19/94/1024331994.db2.gz VRFUODSDYCRMPJ-NMFUWQPSSA-N 1 0 371.359 2.684 20 5 FFBDRO C[NH+]1CCC2(CC[C@H](COCc3nc4cc([N+](=O)[O-])ccc4o3)O2)CC1 ZINC001222925748 1033207545 /nfs/dbraw/zinc/20/75/45/1033207545.db2.gz PTGSTIQHUBUESL-CQSZACIVSA-N 1 0 361.398 2.896 20 5 FFBDRO COc1cc(CC2C[NH+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C2)cc(OC)c1 ZINC000759068391 1024451186 /nfs/dbraw/zinc/45/11/86/1024451186.db2.gz HPNMHEVDMGIVFA-HXUWFJFHSA-N 1 0 372.421 2.820 20 5 FFBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000195625036 1025037548 /nfs/dbraw/zinc/03/75/48/1025037548.db2.gz MTJDFOGZYXHWPN-UPJWGTAASA-N 1 0 364.402 2.599 20 5 FFBDRO Cn1ccnc1[C@@H](O)C1CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000089925296 1025871368 /nfs/dbraw/zinc/87/13/68/1025871368.db2.gz QIFHWCZRIJIHEF-SFHVURJKSA-N 1 0 374.441 2.543 20 5 FFBDRO [NH3+]CCc1cn(-c2nc(Cl)nc(Cl)c2[N+](=O)[O-])c2cccnc12 ZINC001158745828 1027120099 /nfs/dbraw/zinc/12/00/99/1027120099.db2.gz NHCSDOYRIQSEMN-UHFFFAOYSA-N 1 0 353.169 2.532 20 5 FFBDRO Cc1cc(-n2nnc3ccc(C[NH3+])cc32)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001159029329 1027236444 /nfs/dbraw/zinc/23/64/44/1027236444.db2.gz SEZRAGVRHVHDEF-UHFFFAOYSA-N 1 0 361.365 2.553 20 5 FFBDRO COc1cc(C)nc(N2CCC3(CC2)[NH2+]Cc2ccccc23)c1[N+](=O)[O-] ZINC001159031444 1027237528 /nfs/dbraw/zinc/23/75/28/1027237528.db2.gz IUCDFALDUBWBTD-UHFFFAOYSA-N 1 0 354.410 2.906 20 5 FFBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000795643216 1027387016 /nfs/dbraw/zinc/38/70/16/1027387016.db2.gz AADOAUWUAXOTBY-UHFFFAOYSA-N 1 0 355.354 2.985 20 5 FFBDRO [NH3+]C1CCC(N(c2cc([N+](=O)[O-])cc[n+]2[O-])[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC001159560679 1027432502 /nfs/dbraw/zinc/43/25/02/1027432502.db2.gz DICILXCEPIYUMR-YVZJPGBNSA-N 1 0 368.437 2.861 20 5 FFBDRO CCc1ccccc1C[N@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001160098090 1027589810 /nfs/dbraw/zinc/58/98/10/1027589810.db2.gz SLCXWUKDLOSDAP-RTBURBONSA-N 1 0 357.454 2.553 20 5 FFBDRO COc1cccc2c1c(C[NH3+])cn2-c1cc(/C=C/N(C)C)c([N+](=O)[O-])cn1 ZINC001160765299 1027867587 /nfs/dbraw/zinc/86/75/87/1027867587.db2.gz NOKQLERFIVEPCA-BQYQJAHWSA-N 1 0 367.409 2.933 20 5 FFBDRO O=C(c1cccc([N+](=O)[O-])c1Cl)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC001153748912 1027979198 /nfs/dbraw/zinc/97/91/98/1027979198.db2.gz BGPUBSQYELSXTF-CYBMUJFWSA-N 1 0 367.833 2.621 20 5 FFBDRO CN(CCC[N@H+](C)Cc1ccco1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000795750277 1028068842 /nfs/dbraw/zinc/06/88/42/1028068842.db2.gz BLLSGRXTQBUQDU-UHFFFAOYSA-N 1 0 357.414 2.949 20 5 FFBDRO CC(C)Oc1nc(NC2(Cc3ccccn3)CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC001161496341 1028200000 /nfs/dbraw/zinc/20/00/00/1028200000.db2.gz JNNGXZGCMSVVCQ-UHFFFAOYSA-N 1 0 371.441 2.949 20 5 FFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(CC1)CC[NH+](CCC1CCCC1)CC2 ZINC000957547547 1028323642 /nfs/dbraw/zinc/32/36/42/1028323642.db2.gz IJBJEJLFVHWAIU-QZTJIDSGSA-N 1 0 363.502 2.937 20 5 FFBDRO O=[N+]([O-])c1ccc2nc(NCC3(c4cccnc4)CC[NH2+]CC3)cnc2c1 ZINC001162037442 1028407503 /nfs/dbraw/zinc/40/75/03/1028407503.db2.gz XUZRBELHDJZKAG-UHFFFAOYSA-N 1 0 364.409 2.666 20 5 FFBDRO Cc1nc(NCCCP(CCC[NH3+])c2ccccc2)ncc1[N+](=O)[O-] ZINC001162468701 1028548285 /nfs/dbraw/zinc/54/82/85/1028548285.db2.gz BHLGDYWDHMQZTM-UHFFFAOYSA-N 1 0 361.386 2.651 20 5 FFBDRO CCOC(=O)c1cccc([N+](=O)[O-])c1NCC[C@@H]1C[NH2+]Cc2cccn2C1 ZINC001163061071 1028780638 /nfs/dbraw/zinc/78/06/38/1028780638.db2.gz RRKHITBZQCRPTQ-CQSZACIVSA-N 1 0 372.425 2.795 20 5 FFBDRO O=[N+]([O-])c1c(Cl)cc(Cl)nc1NC[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001155597333 1028808843 /nfs/dbraw/zinc/80/88/43/1028808843.db2.gz MBAUTPUNLKPMMY-XPTSAGLGSA-N 1 0 361.229 2.867 20 5 FFBDRO CCOC(=O)c1ccnc(N[C@H]2CC[N@@H+](C(C)C)C[C@@H]2C)c1[N+](=O)[O-] ZINC001163371321 1028908560 /nfs/dbraw/zinc/90/85/60/1028908560.db2.gz ONXQOCOZUPGKEB-JSGCOSHPSA-N 1 0 350.419 2.697 20 5 FFBDRO O=[N+]([O-])c1c(Cl)ccc2nc(N(c3ncccn3)C3C[NH2+]C3)ccc21 ZINC001155871704 1028952511 /nfs/dbraw/zinc/95/25/11/1028952511.db2.gz LWKWWGUOJMNLSO-UHFFFAOYSA-N 1 0 356.773 2.696 20 5 FFBDRO O=[N+]([O-])c1cc[n+]([O-])cc1N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC001164492478 1029297259 /nfs/dbraw/zinc/29/72/59/1029297259.db2.gz LOXPPCYMPOCDBD-IXDOHACOSA-N 1 0 354.410 2.551 20 5 FFBDRO Cc1ncc(C[NH3+])c(=N)n1-c1ccc2ccc3ccc(Cl)nc3c2n1 ZINC001156829013 1029365749 /nfs/dbraw/zinc/36/57/49/1029365749.db2.gz GFGKRPIRWGSBHN-UHFFFAOYSA-N 1 0 350.813 2.869 20 5 FFBDRO COCCC[NH+]1CCN(c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)nn2)CC1 ZINC001165097387 1029386533 /nfs/dbraw/zinc/38/65/33/1029386533.db2.gz SCRYZNAQHBFSPH-UHFFFAOYSA-N 1 0 371.441 2.519 20 5 FFBDRO CC[N@H+]([C@@H]1CCOC1)C1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC001165106826 1029392070 /nfs/dbraw/zinc/39/20/70/1029392070.db2.gz BBQFYKLEJMOJPD-MRXNPFEDSA-N 1 0 371.441 2.618 20 5 FFBDRO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CC[C@@H]([N@H+](C)C(C)C)C1 ZINC001157001943 1029438387 /nfs/dbraw/zinc/43/83/87/1029438387.db2.gz QTRQBVBOSHGCRM-LLVKDONJSA-N 1 0 370.837 2.739 20 5 FFBDRO CC(C)(C)OC(=O)[C@H](CCCC[NH3+])Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC001157166277 1029489262 /nfs/dbraw/zinc/48/92/62/1029489262.db2.gz YYHMKKKRJKGLOP-NSHDSACASA-N 1 0 358.826 2.894 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H](CO)c2ccc(C(F)(F)F)cc2)c1 ZINC000782093169 1029565907 /nfs/dbraw/zinc/56/59/07/1029565907.db2.gz YUBOSNRILHYYJJ-JKSUJKDBSA-N 1 0 370.327 2.970 20 5 FFBDRO C[C@@H]1C[N@H+](CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)[C@H]2CCCC[C@@H]12 ZINC000782277747 1029637809 /nfs/dbraw/zinc/63/78/09/1029637809.db2.gz RUVBNDZSKGNWKI-COXVUDFISA-N 1 0 372.425 2.831 20 5 FFBDRO O=C(CC[N@@H+]1CCC[C@H](OCC2CC2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000782549832 1029743049 /nfs/dbraw/zinc/74/30/49/1029743049.db2.gz KBWHONAWLZDVMI-HNNXBMFYSA-N 1 0 365.405 2.954 20 5 FFBDRO COc1cc(N(Cc2cccnc2)[C@H]2CC[C@H]([NH3+])CC2)ncc1[N+](=O)[O-] ZINC001158166425 1029748700 /nfs/dbraw/zinc/74/87/00/1029748700.db2.gz KGBPSCZNAIAIDN-SHTZXODSSA-N 1 0 357.414 2.670 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N[C@H]1CC(C)(C)C[C@@](C)(C[NH3+])C1 ZINC001158270318 1029781201 /nfs/dbraw/zinc/78/12/01/1029781201.db2.gz UYIPDZRBGCUBGB-GTNSWQLSSA-N 1 0 350.419 2.732 20 5 FFBDRO COc1ccnc(N(c2ncc(Cl)cc2[N+](=O)[O-])C2CC[NH2+]CC2)c1 ZINC001158320197 1029796128 /nfs/dbraw/zinc/79/61/28/1029796128.db2.gz JHSXVWRCWRLVGF-UHFFFAOYSA-N 1 0 363.805 2.937 20 5 FFBDRO [NH3+]C1([C@H]2CN(c3cc4ncnc(Cl)c4cc3[N+](=O)[O-])C[C@@H]2CF)CC1 ZINC001165428227 1029977561 /nfs/dbraw/zinc/97/75/61/1029977561.db2.gz AFRHGWCSYXBHHZ-ONGXEEELSA-N 1 0 365.796 2.705 20 5 FFBDRO C[N@H+](C[C@H]1CC=CCC1)CN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000784011338 1030414370 /nfs/dbraw/zinc/41/43/70/1030414370.db2.gz PNQAFAMAWFKVTE-LIRRHRJNSA-N 1 0 372.425 2.607 20 5 FFBDRO CS(=O)(=O)N(c1cccc(C[NH3+])c1)c1cc([N+](=O)[O-])ccc1Cl ZINC001166471701 1030414768 /nfs/dbraw/zinc/41/47/68/1030414768.db2.gz RGETUWBVFRWELE-UHFFFAOYSA-N 1 0 355.803 2.805 20 5 FFBDRO N=c1nc([C@@H]2CCC[NH2+]2)ccn1-c1ccc2c(ccc(Cl)c2[N+](=O)[O-])n1 ZINC001166700254 1030485121 /nfs/dbraw/zinc/48/51/21/1030485121.db2.gz DJVHZGMKGURPFJ-ZDUSSCGKSA-N 1 0 370.800 2.886 20 5 FFBDRO COc1cc(C(=O)OC[C@H]2CCC[N@@H+](C(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000842836192 1030987638 /nfs/dbraw/zinc/98/76/38/1030987638.db2.gz NFGOWKAIDCSGOQ-ZDUSSCGKSA-N 1 0 366.414 2.889 20 5 FFBDRO COC(=O)[C@@]1(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCOC1 ZINC001204102376 1031101428 /nfs/dbraw/zinc/10/14/28/1031101428.db2.gz BIWVVJFJQVHNRH-GOSISDBHSA-N 1 0 360.366 2.524 20 5 FFBDRO CC(C)Oc1ccc([C@H](O)C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000843081222 1031175405 /nfs/dbraw/zinc/17/54/05/1031175405.db2.gz NSSQPDAQIFHUBU-RBUKOAKNSA-N 1 0 360.410 2.739 20 5 FFBDRO O=C(CC[NH2+][C@H](CCO)Cc1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000843116268 1031192258 /nfs/dbraw/zinc/19/22/58/1031192258.db2.gz WLHADBIWEYSNDE-MRXNPFEDSA-N 1 0 357.410 2.507 20 5 FFBDRO O=[N+]([O-])c1ccccc1NCCc1noc(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC000843185191 1031229938 /nfs/dbraw/zinc/22/99/38/1031229938.db2.gz OVUYOBFZAMKEQF-AGUYFDCRSA-N 1 0 357.414 2.706 20 5 FFBDRO [NH2+]=c1ccc2nc3c(cc(NC(=O)[C@@H]4CCC(=O)N4)c4ccccc43)oc-2c1 ZINC001143131230 1031255032 /nfs/dbraw/zinc/25/50/32/1031255032.db2.gz ZAJKTKBYSNLMEL-HNNXBMFYSA-N 1 0 372.384 2.782 20 5 FFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(C[NH2+]CC/C=C/c2ccccc2)CC1 ZINC001205230352 1031613252 /nfs/dbraw/zinc/61/32/52/1031613252.db2.gz OFRZNOORMDGIMC-KDBJMCLYSA-N 1 0 357.454 2.583 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](c2ccccn2)C1 ZINC000799194741 1031690815 /nfs/dbraw/zinc/69/08/15/1031690815.db2.gz XOVYNJGFFZZRMD-CQSZACIVSA-N 1 0 370.409 2.817 20 5 FFBDRO COc1ccc2c(c1)CC[N@@H+](Cc1ccc(O)c(OC)c1[N+](=O)[O-])CC2 ZINC001205446628 1031753508 /nfs/dbraw/zinc/75/35/08/1031753508.db2.gz MKZCLCURCQUBNI-UHFFFAOYSA-N 1 0 358.394 2.918 20 5 FFBDRO CCc1ccc(C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCCCC2)cc1 ZINC001115530529 1031787530 /nfs/dbraw/zinc/78/75/30/1031787530.db2.gz BPHMFVLDECYCBP-QZTJIDSGSA-N 1 0 359.470 2.823 20 5 FFBDRO O=C1C[C@H]2C[C@@H](OCc3ccc([N+](=O)[O-])nc3)[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001224113824 1033720688 /nfs/dbraw/zinc/72/06/88/1033720688.db2.gz KUZSGNDTECUANJ-QXAKKESOSA-N 1 0 367.405 2.881 20 5 FFBDRO CCN(CCC[NH+]1CCCC1)C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC001138296762 1034086021 /nfs/dbraw/zinc/08/60/21/1034086021.db2.gz CMMOYGOUGPCRNX-UHFFFAOYSA-N 1 0 372.828 2.918 20 5 FFBDRO NC(=O)CC[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@H]1CCOc2ccccc21 ZINC000831896727 1034389531 /nfs/dbraw/zinc/38/95/31/1034389531.db2.gz WMLKJEOQMCXYEE-INIZCTEOSA-N 1 0 373.384 2.935 20 5 FFBDRO COc1cc(O[C@H]2CCC[N@@H+]([C@H](C)c3ccccn3)C2)ncc1[N+](=O)[O-] ZINC001226579772 1034745764 /nfs/dbraw/zinc/74/57/64/1034745764.db2.gz USSPUCPGHXOVEC-KGLIPLIRSA-N 1 0 358.398 2.998 20 5 FFBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc(OC(F)(F)F)c(Cl)c1 ZINC001226853828 1034863454 /nfs/dbraw/zinc/86/34/54/1034863454.db2.gz AZPQXODMRLTLDD-SECBINFHSA-N 1 0 356.748 2.601 20 5 FFBDRO O=[N+]([O-])c1cnc(O[C@H]2CCC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001227108096 1034937721 /nfs/dbraw/zinc/93/77/21/1034937721.db2.gz JRGCIWUKZUYQLV-HNNXBMFYSA-N 1 0 358.354 2.941 20 5 FFBDRO C[N@@H+]1CCC[C@@H](Oc2ccccc2C(=O)Nc2ncc([N+](=O)[O-])s2)C1 ZINC001227514916 1035593564 /nfs/dbraw/zinc/59/35/64/1035593564.db2.gz DWCQRYBHSFUWSO-LLVKDONJSA-N 1 0 362.411 2.777 20 5 FFBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1c(Cl)cc(Cl)c2cccnc21 ZINC001228091585 1035924782 /nfs/dbraw/zinc/92/47/82/1035924782.db2.gz BDLZNBGRLGLGPJ-SNVBAGLBSA-N 1 0 358.245 2.904 20 5 FFBDRO CC[C@@H](C)[NH+]1CCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC001140844743 1036267674 /nfs/dbraw/zinc/26/76/74/1036267674.db2.gz LWIKQDNFVIHKEV-CYBMUJFWSA-N 1 0 369.849 2.960 20 5 FFBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ncnc2sc(-c3ccccc3)cc21 ZINC001228814846 1036339884 /nfs/dbraw/zinc/33/98/84/1036339884.db2.gz COEHHLOATGHWSG-CQSZACIVSA-N 1 0 372.470 2.721 20 5 FFBDRO Cc1cc(Cl)cc(Br)c1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001229275963 1036594301 /nfs/dbraw/zinc/59/43/01/1036594301.db2.gz VFALARHMTQQZTN-LLVKDONJSA-N 1 0 365.675 2.774 20 5 FFBDRO CC(=O)c1cccc(-c2ccccc2)c1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001229567653 1036748928 /nfs/dbraw/zinc/74/89/28/1036748928.db2.gz ZFYJPCXFFHUWEG-QGZVFWFLSA-N 1 0 356.442 2.919 20 5 FFBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(I)cc1[N+](=O)[O-] ZINC001229938470 1036990451 /nfs/dbraw/zinc/99/04/51/1036990451.db2.gz MSEQBJXBZXREED-VIFPVBQESA-N 1 0 365.191 2.673 20 5 FFBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(I)c([N+](=O)[O-])c1 ZINC001229949329 1036994060 /nfs/dbraw/zinc/99/40/60/1036994060.db2.gz CLDDCUGLHZGTHN-VIFPVBQESA-N 1 0 365.191 2.673 20 5 FFBDRO CCOc1cc(NC(=O)NCC[NH+]2CCCCCC2)ccc1[N+](=O)[O-] ZINC001207123009 1037168846 /nfs/dbraw/zinc/16/88/46/1037168846.db2.gz YGTRBMZDGVBIRC-UHFFFAOYSA-N 1 0 350.419 2.991 20 5 FFBDRO CC(=O)Nc1ccc([N+](=O)[O-])cc1O[C@H]1CC[C@@H]([NH+]2CCOCC2)CC1 ZINC001230251060 1037176653 /nfs/dbraw/zinc/17/66/53/1037176653.db2.gz IGPMEVXPSRTTQQ-FZNQNYSPSA-N 1 0 363.414 2.575 20 5 FFBDRO CCOc1cc(NC(=O)N(C)CC[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC001207137609 1037182623 /nfs/dbraw/zinc/18/26/23/1037182623.db2.gz HMCLLGSITPDAJP-UHFFFAOYSA-N 1 0 350.419 2.943 20 5 FFBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc(-c2ccccc2[N+](=O)[O-])cc1 ZINC001231252494 1037512199 /nfs/dbraw/zinc/51/21/99/1037512199.db2.gz BIONUIUCMDALTI-OAHLLOKOSA-N 1 0 359.402 2.624 20 5 FFBDRO Cc1ccc(S(=O)(=O)NCCC[N@H+]2CCCC[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC001208040241 1037966227 /nfs/dbraw/zinc/96/62/27/1037966227.db2.gz FBUIIUOISPUNQA-AWEZNQCLSA-N 1 0 369.487 2.754 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC001208163071 1038101992 /nfs/dbraw/zinc/10/19/92/1038101992.db2.gz SREGGDHHKFMGMY-UHFFFAOYSA-N 1 0 369.487 2.754 20 5 FFBDRO COc1cc(N2CCC([NH2+]CCOc3cccnc3)CC2)ccc1[N+](=O)[O-] ZINC001256087625 1038372356 /nfs/dbraw/zinc/37/23/56/1038372356.db2.gz HORXYPKGGGGMET-UHFFFAOYSA-N 1 0 372.425 2.636 20 5 FFBDRO COc1cc(N2CCC([NH2+][C@@H](C)c3cnn(C)c3)CC2)ccc1[N+](=O)[O-] ZINC001256087493 1038372905 /nfs/dbraw/zinc/37/29/05/1038372905.db2.gz CCBNXQFFTBKNMD-ZDUSSCGKSA-N 1 0 359.430 2.657 20 5 FFBDRO COc1cc(N2CCC([NH2+]CCCC(OC)OC)CC2)ccc1[N+](=O)[O-] ZINC001256100560 1038384525 /nfs/dbraw/zinc/38/45/25/1038384525.db2.gz JACHNXSGIOJPFH-UHFFFAOYSA-N 1 0 367.446 2.561 20 5 FFBDRO COc1cccc([N+](=O)[O-])c1-c1nc2cc(N3CC[NH+](C)CC3)ccc2[nH]1 ZINC001251438395 1039131626 /nfs/dbraw/zinc/13/16/26/1039131626.db2.gz SRJPKNRQOHRTQM-UHFFFAOYSA-N 1 0 367.409 2.899 20 5 FFBDRO C[C@@H]1C[N@@H+](CCc2nnc(-c3cccc(Cl)c3[N+](=O)[O-])o2)C[C@H](C)O1 ZINC001258137760 1039215081 /nfs/dbraw/zinc/21/50/81/1039215081.db2.gz IZESDDOXPKWVBY-PHIMTYICSA-N 1 0 366.805 2.950 20 5 FFBDRO C[C@@H]1C[N@@H+](CCc2nnc(-c3cc(F)c([N+](=O)[O-])c(F)c3)o2)C[C@H](C)O1 ZINC001258146543 1039225799 /nfs/dbraw/zinc/22/57/99/1039225799.db2.gz OKSVCFOCAKGBPC-AOOOYVTPSA-N 1 0 368.340 2.575 20 5 FFBDRO C[C@@H]1C[N@@H+](CCc2nnc(-c3cc(F)cc([N+](=O)[O-])c3F)o2)C[C@H](C)O1 ZINC001258150700 1039231934 /nfs/dbraw/zinc/23/19/34/1039231934.db2.gz BFVZPEBXRAPDLB-AOOOYVTPSA-N 1 0 368.340 2.575 20 5 FFBDRO Cc1cc(F)c(-c2nnc(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)o2)cc1[N+](=O)[O-] ZINC001258154642 1039234520 /nfs/dbraw/zinc/23/45/20/1039234520.db2.gz XLHYQYWJUFBETR-TXEJJXNPSA-N 1 0 364.377 2.744 20 5 FFBDRO C[C@H]1CC[C@H]([NH2+]C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)CN1 ZINC001246083388 1039238811 /nfs/dbraw/zinc/23/88/11/1039238811.db2.gz HMHAJBLYFBDNRJ-AAEUAGOBSA-N 1 0 354.401 2.572 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C[C@@H]2Cc3ccccc3CN2)c1F ZINC001246281445 1039296227 /nfs/dbraw/zinc/29/62/27/1039296227.db2.gz RQODUABRDLROEM-BBRMVZONSA-N 1 0 373.428 2.978 20 5 FFBDRO C[C@H]1CC[C@@H](C[NH3+])N(C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)C1 ZINC001246569308 1039401393 /nfs/dbraw/zinc/40/13/93/1039401393.db2.gz OTIWZJASLGSYQN-JSGCOSHPSA-N 1 0 368.428 2.901 20 5 FFBDRO COCCCN([C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC001246809827 1039489404 /nfs/dbraw/zinc/48/94/04/1039489404.db2.gz UDPFFTPKLDVBOC-DOTOQJQBSA-N 1 0 365.474 2.625 20 5 FFBDRO c1cnc2c(c1)ccc1ccc(-c3noc([C@@]45CCO[C@@H]4CC[NH2+]C5)n3)nc12 ZINC001247897847 1040029674 /nfs/dbraw/zinc/02/96/74/1040029674.db2.gz BLRAIFLXXAMWKI-IIBYNOLFSA-N 1 0 373.416 2.853 20 5 FFBDRO O=c1ccc2c([nH]1)CC[C@H]([NH2+]C1CCN(c3ccc([N+](=O)[O-])cc3)CC1)C2 ZINC001254464295 1040731992 /nfs/dbraw/zinc/73/19/92/1040731992.db2.gz DRARDUMIVWDIJI-INIZCTEOSA-N 1 0 368.437 2.811 20 5 FFBDRO CC(C)(C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1cnccn1 ZINC001254465980 1040734407 /nfs/dbraw/zinc/73/44/07/1040734407.db2.gz SLEQQAJCGOTTJP-UHFFFAOYSA-N 1 0 355.442 2.921 20 5 FFBDRO COC(=O)c1cncc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC001254469758 1040735760 /nfs/dbraw/zinc/73/57/60/1040735760.db2.gz DPFNGOOWAFZERY-UHFFFAOYSA-N 1 0 370.409 2.535 20 5 FFBDRO COC(=O)CC1CC(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254472986 1040738417 /nfs/dbraw/zinc/73/84/17/1040738417.db2.gz YAAPNHRZSQZQGZ-UHFFFAOYSA-N 1 0 361.442 2.743 20 5 FFBDRO CC(=O)N1CC[C@H]([N@@H+](C(C)C)C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254481128 1040747963 /nfs/dbraw/zinc/74/79/63/1040747963.db2.gz TYHTZIZBAMVOPF-FQEVSTJZSA-N 1 0 374.485 2.895 20 5 FFBDRO COC(=O)[C@@H]1CCC[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001254482981 1040749396 /nfs/dbraw/zinc/74/93/96/1040749396.db2.gz NVQQJCHGTHPNGE-OAHLLOKOSA-N 1 0 361.442 2.839 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCN1CCN(c2ccccc2)CC1 ZINC001254537933 1040787032 /nfs/dbraw/zinc/78/70/32/1040787032.db2.gz KETDKRZLQKZPIO-GOSISDBHSA-N 1 0 368.481 2.938 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N(Cc1ccccc1)C1(C[NH3+])COC1 ZINC001254537271 1040787896 /nfs/dbraw/zinc/78/78/96/1040787896.db2.gz YVZFCXZYKWAQFM-INIZCTEOSA-N 1 0 355.438 2.756 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCc1cccc(S(C)(=O)=O)c1 ZINC001254545200 1040790578 /nfs/dbraw/zinc/79/05/78/1040790578.db2.gz BPJAQIKKSYJYAT-CQSZACIVSA-N 1 0 362.451 2.762 20 5 FFBDRO CCOC(=O)C1(N[C@H](C)Cc2ccccc2[N+](=O)[O-])CC[NH+](CC)CC1 ZINC001254549680 1040793092 /nfs/dbraw/zinc/79/30/92/1040793092.db2.gz XACONDCGOSPONJ-OAHLLOKOSA-N 1 0 363.458 2.533 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CCN(C(=O)c2cccnc2)CC1 ZINC001254548580 1040793313 /nfs/dbraw/zinc/79/33/13/1040793313.db2.gz OGMWSLLZFCSGJA-HNNXBMFYSA-N 1 0 368.437 2.815 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](CN1C(=O)CCC1=O)C(C)(C)C ZINC001254549618 1040793338 /nfs/dbraw/zinc/79/33/38/1040793338.db2.gz UQKJRQPLZJMXSC-CZUORRHYSA-N 1 0 361.442 2.679 20 5 FFBDRO CCCNC(=O)COC1CC[NH+]([C@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254571410 1040807598 /nfs/dbraw/zinc/80/75/98/1040807598.db2.gz ULGYHXIIMLGHLV-OAHLLOKOSA-N 1 0 363.458 2.533 20 5 FFBDRO O=C(NC1CCC1)[C@@H]1CC12CC[NH+]([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)CC2 ZINC001254595803 1040824708 /nfs/dbraw/zinc/82/47/08/1040824708.db2.gz MWVRYKMCHGHOBU-MOPGFXCFSA-N 1 0 369.465 2.833 20 5 FFBDRO CC(C)C(=O)N1CCC[C@]12CC[N@@H+]([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254599057 1040829340 /nfs/dbraw/zinc/82/93/40/1040829340.db2.gz JWXGCJJTWCCQJH-UYAOXDASSA-N 1 0 357.454 2.785 20 5 FFBDRO O=C(C1CC[NH+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1)N1CCCCC1 ZINC001254601021 1040832666 /nfs/dbraw/zinc/83/26/66/1040832666.db2.gz VCTZENNTHWBTNB-IBGZPJMESA-N 1 0 357.454 2.787 20 5 FFBDRO CCOc1cccc(N2CC[NH+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC2)n1 ZINC001254609801 1040837224 /nfs/dbraw/zinc/83/72/24/1040837224.db2.gz YHQNRRVLPSFCTF-SFHVURJKSA-N 1 0 368.437 2.678 20 5 FFBDRO COc1cccc(O[C@H]2CC[N@@H+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)n1 ZINC001254610258 1040838854 /nfs/dbraw/zinc/83/88/54/1040838854.db2.gz ISCXLIFGQDZQNH-IRXDYDNUSA-N 1 0 355.394 2.619 20 5 FFBDRO COc1cccc(O[C@@H]2CC[N@@H+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)n1 ZINC001254610254 1040838978 /nfs/dbraw/zinc/83/89/78/1040838978.db2.gz ISCXLIFGQDZQNH-DLBZAZTESA-N 1 0 355.394 2.619 20 5 FFBDRO Cc1nccnc1O[C@H]1CCC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254611798 1040841247 /nfs/dbraw/zinc/84/12/47/1040841247.db2.gz TUQCUNWPNNYOSK-MSOLQXFVSA-N 1 0 354.410 2.704 20 5 FFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[NH+](CCCc2cccc3ccccc32)CC1 ZINC001261281875 1041130575 /nfs/dbraw/zinc/13/05/75/1041130575.db2.gz OAMDLIOFJSJMNN-WOJBJXKFSA-N 1 0 367.449 2.582 20 5 FFBDRO O=C(c1ccccc1)N1CCC[C@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001261436303 1041235519 /nfs/dbraw/zinc/23/55/19/1041235519.db2.gz XPTWITOZLATARZ-PKOBYXMFSA-N 1 0 369.421 2.523 20 5 FFBDRO C[NH+](C)[C@H]1CCCC[C@@H]1Nc1ccc([N+](=O)[O-])c(N2CCOCC2)c1F ZINC001261558692 1041307230 /nfs/dbraw/zinc/30/72/30/1041307230.db2.gz OHMMZPZGBLZFEM-ZFWWWQNUSA-N 1 0 366.437 2.855 20 5 FFBDRO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC001263108060 1042108003 /nfs/dbraw/zinc/10/80/03/1042108003.db2.gz NACVTCVSSNUUIC-QGZVFWFLSA-N 1 0 351.834 2.783 20 5 FFBDRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2C(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC001263151074 1042134132 /nfs/dbraw/zinc/13/41/32/1042134132.db2.gz RIYLSHMZHPNORW-RFZNHBKKSA-N 1 0 373.453 2.586 20 5 FFBDRO O=C(COc1ccccc1[N+](=O)[O-])N1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC001263214293 1042176858 /nfs/dbraw/zinc/17/68/58/1042176858.db2.gz NNDQSRRAOZSUGZ-HNNXBMFYSA-N 1 0 361.442 2.602 20 5 FFBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@]12CC[NH2+]C2 ZINC001263257834 1042202967 /nfs/dbraw/zinc/20/29/67/1042202967.db2.gz DRHKJYHLIMZCAA-OAHLLOKOSA-N 1 0 355.847 2.695 20 5 FFBDRO COc1ccc(NC(=O)N2C[C@]34C[N@H+](C)C[C@@]3(C2)CCCC4)cc1[N+](=O)[O-] ZINC001263641210 1042414584 /nfs/dbraw/zinc/41/45/84/1042414584.db2.gz JJAAHBPHYOBQFG-KDURUIRLSA-N 1 0 374.441 2.943 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC001309959144 1043610113 /nfs/dbraw/zinc/61/01/13/1043610113.db2.gz FPLTYFAUCPCJNB-UHFFFAOYSA-N 1 0 369.487 2.753 20 5 FFBDRO C[C@H]1CC[N@H+](CCNC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC001310159643 1043645424 /nfs/dbraw/zinc/64/54/24/1043645424.db2.gz KDEMUQZDUWNOPK-JTQLQIEISA-N 1 0 358.345 2.660 20 5 FFBDRO Cc1c(NC(=O)NCC2([NH+](C)C)CC2)cc(Br)cc1[N+](=O)[O-] ZINC001310659586 1043719957 /nfs/dbraw/zinc/71/99/57/1043719957.db2.gz GDUITBHNIZODFD-UHFFFAOYSA-N 1 0 371.235 2.881 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccc2c[nH+]cn2c1 ZINC001310655978 1043720046 /nfs/dbraw/zinc/72/00/46/1043720046.db2.gz QFUHYWMFCWXNIN-UHFFFAOYSA-N 1 0 355.354 2.963 20 5 FFBDRO CN(C)c1ccc([C@@H](C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)N(C)C)cc1 ZINC000905702734 1043782940 /nfs/dbraw/zinc/78/29/40/1043782940.db2.gz GFGWQRPOIOURKC-WOJBJXKFSA-N 1 0 372.469 2.587 20 5 FFBDRO CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[N@@H+]1CCC[C@H]1C ZINC001313562183 1044381239 /nfs/dbraw/zinc/38/12/39/1044381239.db2.gz WDEYWMVEWDAIOM-CQSZACIVSA-N 1 0 358.446 2.794 20 5 FFBDRO CN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[NH+]1CCCC1)C1CC1 ZINC001314680397 1044534582 /nfs/dbraw/zinc/53/45/82/1044534582.db2.gz LWJCUVRBKUTBCI-UHFFFAOYSA-N 1 0 356.430 2.548 20 5 FFBDRO O=C(NCC1([NH2+]C/C=C/c2ccc(Cl)cc2)CCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001280480119 1044663080 /nfs/dbraw/zinc/66/30/80/1044663080.db2.gz BPMSADHFKVBXDJ-SYLAGYCLSA-N 1 0 363.845 2.647 20 5 FFBDRO C[N@@H+](Cc1cc2ccccc2[nH]1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC001319493863 1045172152 /nfs/dbraw/zinc/17/21/52/1045172152.db2.gz ZIUHGAHNEQIEGY-KRWDZBQOSA-N 1 0 355.394 2.948 20 5 FFBDRO C[C@H]1CCCN(C(=O)CC[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001320093801 1045348192 /nfs/dbraw/zinc/34/81/92/1045348192.db2.gz CPOPUSRGRGMKIJ-INIZCTEOSA-N 1 0 374.485 2.802 20 5 FFBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC001320952850 1045500959 /nfs/dbraw/zinc/50/09/59/1045500959.db2.gz YGPKOPULLORXLT-UHFFFAOYSA-N 1 0 356.426 2.671 20 5 FFBDRO C[N@@H+]1CC[C@](O)(CNCc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC001321128751 1045556102 /nfs/dbraw/zinc/55/61/02/1045556102.db2.gz AUIZIHPIZFBSOC-KRWDZBQOSA-N 1 0 365.817 2.664 20 5 FFBDRO O=C(Nc1ccc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1)C1CC1 ZINC001325872984 1046670459 /nfs/dbraw/zinc/67/04/59/1046670459.db2.gz XHCYMPDSZXGEJR-GOSISDBHSA-N 1 0 355.394 2.767 20 5 FFBDRO Cc1cc([C@H]([NH3+])CC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)cc(Cl)n1 ZINC001326059957 1046748388 /nfs/dbraw/zinc/74/83/88/1046748388.db2.gz GCXGXQXHASVLTB-MRXNPFEDSA-N 1 0 374.828 2.926 20 5 FFBDRO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)c1cccc([N+](=O)[O-])c1Br ZINC001326343979 1046887441 /nfs/dbraw/zinc/88/74/41/1046887441.db2.gz OTFNSBXFWDKKSJ-NWDGAFQWSA-N 1 0 370.247 2.960 20 5 FFBDRO C[NH2+][C@@H](C)CCNC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC001326367748 1046900506 /nfs/dbraw/zinc/90/05/06/1046900506.db2.gz GSIPGLKKYCYODA-KBPBESRZSA-N 1 0 371.441 2.891 20 5 FFBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]CC[C@H]1CCCS1(=O)=O ZINC001331582726 1048019694 /nfs/dbraw/zinc/01/96/94/1048019694.db2.gz XEQRNHHYGQPYMV-LLVKDONJSA-N 1 0 367.254 2.959 20 5 FFBDRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1N)Cc1ccccc1 ZINC001290413871 1048100010 /nfs/dbraw/zinc/10/00/10/1048100010.db2.gz YWAFYQKIXOHLPQ-QGZVFWFLSA-N 1 0 370.453 2.860 20 5 FFBDRO COc1ccc([C@H]2C[NH2+]CCN2C(=O)Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC001332034425 1048221946 /nfs/dbraw/zinc/22/19/46/1048221946.db2.gz IGQGWBAJWVWBSW-LJQANCHMSA-N 1 0 369.421 2.627 20 5 FFBDRO C[NH+](C)CC(C)(C)C1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC001333300704 1048819197 /nfs/dbraw/zinc/81/91/97/1048819197.db2.gz VQUZJWYQEAEDBV-UHFFFAOYSA-N 1 0 363.458 2.800 20 5 FFBDRO CCC1([NH3+])CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CC1 ZINC001333709568 1049069350 /nfs/dbraw/zinc/06/93/50/1049069350.db2.gz GVLPRMPXAKJVDD-UHFFFAOYSA-N 1 0 374.210 2.840 20 5 FFBDRO O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001292072910 1049100807 /nfs/dbraw/zinc/10/08/07/1049100807.db2.gz WKOATNYHNGXSNZ-UHFFFAOYSA-N 1 0 363.805 2.862 20 5 FFBDRO CC(C)NC(=O)c1ccc(N2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001334336511 1049378874 /nfs/dbraw/zinc/37/88/74/1049378874.db2.gz OFJVALZUDWCNHZ-GVDBMIGSSA-N 1 0 374.485 2.900 20 5 FFBDRO Cn1c(Sc2ncc([N+](=O)[O-])c3ccccc32)nnc1C1CC[NH2+]CC1 ZINC001331116257 1049476533 /nfs/dbraw/zinc/47/65/33/1049476533.db2.gz SABVCTKMBIPXNS-UHFFFAOYSA-N 1 0 370.438 2.890 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC001341709273 1050328401 /nfs/dbraw/zinc/32/84/01/1050328401.db2.gz KURGRWGFTWTCEY-RYUDHWBXSA-N 1 0 359.348 2.872 20 5 FFBDRO CC(C)C[C@](C)(C[NH3+])C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC001339971917 1050387079 /nfs/dbraw/zinc/38/70/79/1050387079.db2.gz FGOGMCVJZHCMRZ-LJQANCHMSA-N 1 0 363.458 2.976 20 5 FFBDRO O=C(c1cccc2c1OCC[NH2+]C2)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001342015078 1050612651 /nfs/dbraw/zinc/61/26/51/1050612651.db2.gz MODFQKIPDOXOLL-UHFFFAOYSA-N 1 0 367.405 2.882 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)NCC[C@H]2CCC[NH2+]CC2)cc1SC ZINC001342138984 1050733292 /nfs/dbraw/zinc/73/32/92/1050733292.db2.gz IRSAWEHPRJVODI-LBPRGKRZSA-N 1 0 367.471 2.835 20 5 FFBDRO C[C@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC001301485426 1050904013 /nfs/dbraw/zinc/90/40/13/1050904013.db2.gz ZDEXBZVXNIEXJC-PBHICJAKSA-N 1 0 373.457 2.523 20 5 FFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001302177588 1051054101 /nfs/dbraw/zinc/05/41/01/1051054101.db2.gz GXDFGJVUVPBMCX-MRXNPFEDSA-N 1 0 373.840 2.834 20 5 FFBDRO [NH3+][C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[C@@H]1C(F)(F)F ZINC001342492240 1051094241 /nfs/dbraw/zinc/09/42/41/1051094241.db2.gz OORNSWGKAURUOP-GXSJLCMTSA-N 1 0 351.712 2.600 20 5 FFBDRO O=C(Nc1ccc2c(c1)OCC[NH2+]C2)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001340843123 1051181380 /nfs/dbraw/zinc/18/13/80/1051181380.db2.gz JZXXIHOMWQPNJS-IAGOWNOFSA-N 1 0 353.378 2.819 20 5 FFBDRO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC001342680245 1051290527 /nfs/dbraw/zinc/29/05/27/1051290527.db2.gz ZQHDKDIOFHRHQS-NVXWUHKLSA-N 1 0 351.834 2.829 20 5 FFBDRO CC[N@@H+]1C[C@@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C(C)(C)C1 ZINC001304041468 1051511459 /nfs/dbraw/zinc/51/14/59/1051511459.db2.gz NFIGREHJGDXRIP-QGZVFWFLSA-N 1 0 360.458 2.655 20 5 FFBDRO CN(CC[NH+]1CCCCC1)c1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-] ZINC001307150196 1052259198 /nfs/dbraw/zinc/25/91/98/1052259198.db2.gz VHYUYRHXYMHJOY-UHFFFAOYSA-N 1 0 359.386 2.973 20 5 FFBDRO CCC1(C)CC[NH+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001307442172 1052307317 /nfs/dbraw/zinc/30/73/17/1052307317.db2.gz IGEDTUIYMMQODR-UHFFFAOYSA-N 1 0 374.485 2.756 20 5 FFBDRO CCOC(=O)CC[N@@H+](Cc1cc(OC)c(F)cc1[N+](=O)[O-])CC1CC1 ZINC001307443536 1052307337 /nfs/dbraw/zinc/30/73/37/1052307337.db2.gz YNKWWDWRHWAVHU-UHFFFAOYSA-N 1 0 354.378 2.908 20 5 FFBDRO CS[C@@H]1CN(Cc2c(Br)cccc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC001307653848 1052331850 /nfs/dbraw/zinc/33/18/50/1052331850.db2.gz AZNZSTRQGIMQCZ-ZIAGYGMSSA-N 1 0 374.304 2.835 20 5 FFBDRO COC(=O)COc1ccc([C@@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)cc1 ZINC001307664961 1052332608 /nfs/dbraw/zinc/33/26/08/1052332608.db2.gz OWIKWHHMNFAPJV-CQSZACIVSA-N 1 0 374.393 2.876 20 5 FFBDRO CC(C)Cn1c(C[N+](=O)[O-])nnc1N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC001343631808 1052347113 /nfs/dbraw/zinc/34/71/13/1052347113.db2.gz SEHUZJATWCQCBO-MRXNPFEDSA-N 1 0 372.473 2.594 20 5 FFBDRO COc1ccc(OCC[N@@H+](C)[C@@H]2C[C@@H](OC)C23CCC3)c([N+](=O)[O-])c1 ZINC001307772091 1052348638 /nfs/dbraw/zinc/34/86/38/1052348638.db2.gz QOBSCICIJDJVLT-IAGOWNOFSA-N 1 0 350.415 2.872 20 5 FFBDRO COc1ccc([C@H]2CN(CCOc3cccc([N+](=O)[O-])c3)CC[NH2+]2)cc1 ZINC001308012326 1052383386 /nfs/dbraw/zinc/38/33/86/1052383386.db2.gz AYVOZBMTFUPIEG-LJQANCHMSA-N 1 0 357.410 2.629 20 5 FFBDRO C[C@@](CO)(Cc1ccccc1F)[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001308118656 1052411601 /nfs/dbraw/zinc/41/16/01/1052411601.db2.gz UPEBRNOZMGAIBD-KRWDZBQOSA-N 1 0 363.345 2.725 20 5 FFBDRO CC(C)[C@H]1CCC[C@@H]([NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001308249196 1052436818 /nfs/dbraw/zinc/43/68/18/1052436818.db2.gz BDIZKHBWHIGACG-LSDHHAIUSA-N 1 0 369.487 2.678 20 5 FFBDRO CC(C)[C@@H]1CCC[C@@H]([NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001308249195 1052436902 /nfs/dbraw/zinc/43/69/02/1052436902.db2.gz BDIZKHBWHIGACG-HUUCEWRRSA-N 1 0 369.487 2.678 20 5 FFBDRO COc1cc(C[NH2+]C[C@H](C)CNC(=O)OC(C)(C)C)c([N+](=O)[O-])cc1O ZINC001308341718 1052448134 /nfs/dbraw/zinc/44/81/34/1052448134.db2.gz DRCDMQITIJKGHH-NSHDSACASA-N 1 0 369.418 2.559 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]Cc1cnc(N2CCCC2)nc1 ZINC001308348062 1052449144 /nfs/dbraw/zinc/44/91/44/1052449144.db2.gz RRFYBHVLCPDFBM-UHFFFAOYSA-N 1 0 361.833 2.971 20 5 FFBDRO O=C(N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1cc(F)ccc1[N+](=O)[O-] ZINC001345559294 1052509992 /nfs/dbraw/zinc/50/99/92/1052509992.db2.gz IPGSWWCZNUEMJO-DNVCBOLYSA-N 1 0 371.368 2.720 20 5 FFBDRO Cc1ccc(S(=O)(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC001309282176 1052591125 /nfs/dbraw/zinc/59/11/25/1052591125.db2.gz GNOFPCSTKQAUKZ-VNHYZAJKSA-N 1 0 369.487 2.548 20 5 FFBDRO COC(=O)C1(C2(O)CC[NH+](Cc3cccc([N+](=O)[O-])c3C)CC2)CCC1 ZINC001335134169 1053228732 /nfs/dbraw/zinc/22/87/32/1053228732.db2.gz OVNXIRCPJYYOPM-UHFFFAOYSA-N 1 0 362.426 2.573 20 5 FFBDRO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001335393427 1053333156 /nfs/dbraw/zinc/33/31/56/1053333156.db2.gz LHIXNXXWAQBUPB-HNNXBMFYSA-N 1 0 351.834 2.878 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]Cc1ccncc1C(F)(F)F ZINC001335447709 1053369031 /nfs/dbraw/zinc/36/90/31/1053369031.db2.gz IUIZAKXNCSWLGC-LBPRGKRZSA-N 1 0 371.315 2.538 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)C[C@H]2C1 ZINC001336168767 1053810077 /nfs/dbraw/zinc/81/00/77/1053810077.db2.gz CRRXQTWYASRMML-SIZVQLJJSA-N 1 0 357.454 2.887 20 5 FFBDRO C[C@@H](CNC(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1)c1ccccc1[N+](=O)[O-] ZINC001336255107 1053873172 /nfs/dbraw/zinc/87/31/72/1053873172.db2.gz JATGBRHYTZUZDX-KXBFYZLASA-N 1 0 360.458 2.874 20 5 FFBDRO COc1ccc(NC(=O)[C@@H]2CCCCN2Cc2cccnc2)cc1[N+](=O)[O-] ZINC001337591347 1054873125 /nfs/dbraw/zinc/87/31/25/1054873125.db2.gz QHIMRQGCQXUWNK-INIZCTEOSA-N 1 0 370.409 2.992 20 5 FFBDRO CCn1c(C[N+](=O)[O-])nnc1N1CCC(CC[N@H+](CC)CC(C)C)CC1 ZINC001356347523 1055465318 /nfs/dbraw/zinc/46/53/18/1055465318.db2.gz AVHWEDCTADXPHO-UHFFFAOYSA-N 1 0 366.510 2.659 20 5 FFBDRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001349833942 1055492973 /nfs/dbraw/zinc/49/29/73/1055492973.db2.gz NYGNNSDUIWXAQT-QZTJIDSGSA-N 1 0 358.442 2.679 20 5 FFBDRO CC1CC[NH+](CCc2nnc(-c3cc4c(c([N+](=O)[O-])c3)OCO4)o2)CC1 ZINC001349948250 1055555144 /nfs/dbraw/zinc/55/51/44/1055555144.db2.gz XBCWRBQTDXVQKP-UHFFFAOYSA-N 1 0 360.370 2.648 20 5 FFBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(F)c(Cl)c([N+](=O)[O-])c3Cl)C[C@@H]21 ZINC001338572675 1055633495 /nfs/dbraw/zinc/63/34/95/1055633495.db2.gz HMUXQLLGCTZIRP-XCBNKYQSSA-N 1 0 362.188 2.817 20 5 FFBDRO Cn1c([C@H]2CCCN2C)nnc1N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001339484635 1056498950 /nfs/dbraw/zinc/49/89/50/1056498950.db2.gz CKFNVMDFBCPQMI-MRXNPFEDSA-N 1 0 356.430 2.659 20 5 FFBDRO COc1cccc(C(=O)N2CCN[C@@H](c3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC001353791203 1058224859 /nfs/dbraw/zinc/22/48/59/1058224859.db2.gz ZGSOJEDAYGPBRC-OAHLLOKOSA-N 1 0 359.357 2.529 20 5 FFBDRO C[N@@H+]1CCC[C@@H](CNC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])C1 ZINC001443768454 1058240894 /nfs/dbraw/zinc/24/08/94/1058240894.db2.gz CTMRTIYWOWMQJV-AWEZNQCLSA-N 1 0 354.410 2.728 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)n1 ZINC001518643018 1058449596 /nfs/dbraw/zinc/44/95/96/1058449596.db2.gz PFGIARDXZYANQE-GDBMZVCRSA-N 1 0 354.410 2.864 20 5 FFBDRO CC1(C)CC(C[NH2+]CCN(Cc2ccccc2)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001501193852 1058641520 /nfs/dbraw/zinc/64/15/20/1058641520.db2.gz SICLZHDHPKJIEA-QZTJIDSGSA-N 1 0 359.470 2.706 20 5 FFBDRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl)[NH+](C)C ZINC001447827714 1058712410 /nfs/dbraw/zinc/71/24/10/1058712410.db2.gz ZCIYLERDIAFIGS-QMTHXVAHSA-N 1 0 365.821 2.701 20 5 FFBDRO Nc1c(C(=O)NC[C@H]2CC[N@@H+]2C2CCCCCC2)cc(F)cc1[N+](=O)[O-] ZINC001454872721 1059637216 /nfs/dbraw/zinc/63/72/16/1059637216.db2.gz DJWBUXDYKSESMV-CQSZACIVSA-N 1 0 364.421 2.843 20 5 FFBDRO COC1CCC([N@H+](C)CN2CC[C@@H](c3ccc([N+](=O)[O-])cc3)C2=O)CC1 ZINC000848479089 1060107273 /nfs/dbraw/zinc/10/72/73/1060107273.db2.gz QMNWNJUTCUVSSQ-VJFUWPCTSA-N 1 0 361.442 2.758 20 5 FFBDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)C(F)(F)Oc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000848591524 1060323216 /nfs/dbraw/zinc/32/32/16/1060323216.db2.gz VDIKUNAEBKPALE-MRXNPFEDSA-N 1 0 369.368 2.511 20 5 FFBDRO CCC(C)(C)[NH+]1CCN(c2nnc([C@H](C)[N+](=O)[O-])n2CC(C)C)CC1 ZINC001517390502 1060479843 /nfs/dbraw/zinc/47/98/43/1060479843.db2.gz WADANHVKXDTWPK-AWEZNQCLSA-N 1 0 352.483 2.582 20 5 FFBDRO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)N(Cc3cccc([N+](=O)[O-])c3)C3CC3)[C@@H]2C1 ZINC001521372848 1060562620 /nfs/dbraw/zinc/56/26/20/1060562620.db2.gz JYEXLZVYNAYHNC-QGTPRVQTSA-N 1 0 358.442 2.609 20 5 FFBDRO CC[C@@H]1C[N@H+](C)CCCN1c1ncc([N+](=O)[O-])c(C)c1Br ZINC001458458604 1060595548 /nfs/dbraw/zinc/59/55/48/1060595548.db2.gz XIBAYZXNIDJCFL-LLVKDONJSA-N 1 0 357.252 2.981 20 5 FFBDRO O=[N+]([O-])c1cnc(N2CC[NH2+][C@@H](Cc3ccc(F)cc3)C2)c(Cl)c1 ZINC001458719684 1060654736 /nfs/dbraw/zinc/65/47/36/1060654736.db2.gz BNCHVPAKAWIMGG-ZDUSSCGKSA-N 1 0 350.781 2.803 20 5 FFBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])C1CC(NC(=O)OC(C)(C)C)C1 ZINC001460113340 1060901140 /nfs/dbraw/zinc/90/11/40/1060901140.db2.gz PQNQZQNUXLETSI-UHFFFAOYSA-N 1 0 365.430 2.961 20 5 FFBDRO C[C@](CO)([NH2+]CCC(=O)Nc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC001460623257 1061035711 /nfs/dbraw/zinc/03/57/11/1061035711.db2.gz YKDWGQZITSOHQA-GOSISDBHSA-N 1 0 361.373 2.560 20 5 FFBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC001460712801 1061072868 /nfs/dbraw/zinc/07/28/68/1061072868.db2.gz XRPWOABCCWVTPD-LSDHHAIUSA-N 1 0 369.425 2.528 20 5 FFBDRO COC(=O)C[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C(C)(C)C ZINC001460829332 1061119945 /nfs/dbraw/zinc/11/99/45/1061119945.db2.gz BWHHNEAWOYWLJZ-ZDUSSCGKSA-N 1 0 371.821 2.754 20 5 FFBDRO C[C@@]1(NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C[NH+]2CCC1CC2 ZINC001461477288 1061328578 /nfs/dbraw/zinc/32/85/78/1061328578.db2.gz QMOMADYSFQZDBF-QGZVFWFLSA-N 1 0 367.833 2.618 20 5 FFBDRO C[NH+](C)[C@H](CNC(=O)Nc1ccc(N)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC001476861978 1061494169 /nfs/dbraw/zinc/49/41/69/1061494169.db2.gz LJDVOAIMORFHIZ-MRXNPFEDSA-N 1 0 361.377 2.741 20 5 FFBDRO CC1([NH+]2CCCC2)CCC(NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC001462813620 1061788113 /nfs/dbraw/zinc/78/81/13/1061788113.db2.gz NUTCPVZKWSGCIC-UHFFFAOYSA-N 1 0 371.441 2.998 20 5 FFBDRO Cc1ccc(CNC(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC001479122645 1062236830 /nfs/dbraw/zinc/23/68/30/1062236830.db2.gz SCFOLCOLTNJIEI-CQSZACIVSA-N 1 0 360.458 2.919 20 5 FFBDRO [NH3+]C[C@H]1Cc2cc(F)ccc2N(C(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC001522755923 1062274727 /nfs/dbraw/zinc/27/47/27/1062274727.db2.gz APOBCWUJFKQMQR-CYBMUJFWSA-N 1 0 373.384 2.667 20 5 FFBDRO CC[NH+](CC)CC[C@@H](C)NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC001529414282 1062303419 /nfs/dbraw/zinc/30/34/19/1062303419.db2.gz FRAXUFSQULWRCT-LLVKDONJSA-N 1 0 366.418 2.970 20 5 FFBDRO Cc1cc(C)c(S(=O)(=O)N[C@H](C)C[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC001464083100 1062415996 /nfs/dbraw/zinc/41/59/96/1062415996.db2.gz PHOYXTZKPWSOTR-OAHLLOKOSA-N 1 0 369.487 2.610 20 5 FFBDRO O=C(NCCC[N@H+](Cc1cccc(Cl)c1F)C1CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001479868197 1063011868 /nfs/dbraw/zinc/01/18/68/1063011868.db2.gz AOAIVPKVCXKOHW-UKRRQHHQSA-N 1 0 369.824 2.615 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001466355288 1063405472 /nfs/dbraw/zinc/40/54/72/1063405472.db2.gz VLFMQCLOGXSYMC-MSOLQXFVSA-N 1 0 369.421 2.565 20 5 FFBDRO Nc1c(Cl)cc(C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)cc1[N+](=O)[O-] ZINC001467805774 1063857931 /nfs/dbraw/zinc/85/79/31/1063857931.db2.gz RLIPGOSYKDVCSW-GFCCVEGCSA-N 1 0 352.822 2.577 20 5 FFBDRO CC(C)[NH+]1CCC(CCNC(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC001470022457 1064245353 /nfs/dbraw/zinc/24/53/53/1064245353.db2.gz QFDUYQZWOLGXFR-UHFFFAOYSA-N 1 0 362.474 2.947 20 5 FFBDRO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])cn1C ZINC001470779876 1064448445 /nfs/dbraw/zinc/44/84/45/1064448445.db2.gz JWCBVQSDJMIVMU-RHSMWYFYSA-N 1 0 356.426 2.574 20 5 FFBDRO CC(C)[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC001472328639 1065017929 /nfs/dbraw/zinc/01/79/29/1065017929.db2.gz PRJVOJRLFLAEDH-WMZOPIPTSA-N 1 0 361.442 2.695 20 5 FFBDRO CC[NH+](CC)CC[C@H](C)NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001472430349 1065057922 /nfs/dbraw/zinc/05/79/22/1065057922.db2.gz NTZIKMDJQKNLPL-ZDUSSCGKSA-N 1 0 359.430 2.835 20 5 FFBDRO CC(C)[N@@H+]1CC[C@@H](CNc2c3cc([N+](=O)[O-])ccc3ncc2[N+](=O)[O-])C1 ZINC001472674887 1065126066 /nfs/dbraw/zinc/12/60/66/1065126066.db2.gz IOFMCJXPYYLAOA-LBPRGKRZSA-N 1 0 359.386 2.615 20 5 FFBDRO COC(=O)c1cnc(N[C@@H]2CC[N@H+](Cc3cccc(C)c3)C2)c([N+](=O)[O-])c1 ZINC001472844319 1065155477 /nfs/dbraw/zinc/15/54/77/1065155477.db2.gz MOFVKUGGPPQJBB-MRXNPFEDSA-N 1 0 370.409 2.771 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(C[NH2+][C@H]2CCC[C@H]2CCO)o1 ZINC001473384549 1065251365 /nfs/dbraw/zinc/25/13/65/1065251365.db2.gz KXTRGCCMRNASES-GWCFXTLKSA-N 1 0 366.805 2.939 20 5 FFBDRO C[C@](CO)([NH2+]Cc1ccc(-n2ccnc2)cc1)c1cccc([N+](=O)[O-])c1 ZINC001473714118 1065328505 /nfs/dbraw/zinc/32/85/05/1065328505.db2.gz LKYXGNHEPAUSQL-LJQANCHMSA-N 1 0 352.394 2.778 20 5 FFBDRO C[C@]([NH3+])(C(=O)N[C@@H]1CCOc2ccc(F)cc21)c1cccc([N+](=O)[O-])c1 ZINC001576080730 1078194116 /nfs/dbraw/zinc/19/41/16/1078194116.db2.gz HDRVHMJJIYWHJY-CRAIPNDOSA-N 1 0 359.357 2.548 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1C[C@@H](c2ccccc2)[C@H](C(N)=O)C1 ZINC001474567948 1065552946 /nfs/dbraw/zinc/55/29/46/1065552946.db2.gz SWICYLYZGSNQPV-ZWKOTPCHSA-N 1 0 353.422 2.913 20 5 FFBDRO CC1(C)CC[C@H](CNC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)[NH2+]C1 ZINC001576417467 1078226744 /nfs/dbraw/zinc/22/67/44/1078226744.db2.gz YTRJGGQQFNACPR-GFCCVEGCSA-N 1 0 354.838 2.826 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC001474825072 1065617847 /nfs/dbraw/zinc/61/78/47/1065617847.db2.gz OIGUFLGZVBKRPC-INIZCTEOSA-N 1 0 369.487 2.692 20 5 FFBDRO Cc1cc(S(=O)(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)c(C)cc1[N+](=O)[O-] ZINC001474834554 1065620920 /nfs/dbraw/zinc/62/09/20/1065620920.db2.gz NENKCEXUSSJMJW-SWLSCSKDSA-N 1 0 369.487 2.610 20 5 FFBDRO CC[C@H]([NH3+])Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H]2CCC[C@H]21 ZINC001577129357 1078307335 /nfs/dbraw/zinc/30/73/35/1078307335.db2.gz WFJHMOFKAPNNBI-IJEWVQPXSA-N 1 0 356.430 2.579 20 5 FFBDRO CC[NH2+]CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(CC)CC(C)C ZINC001577857982 1078408327 /nfs/dbraw/zinc/40/83/27/1078408327.db2.gz NCLOZJKWFQTTOD-UHFFFAOYSA-N 1 0 360.462 2.945 20 5 FFBDRO CN(C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N)C1(C[NH3+])CCCCC1 ZINC001578389577 1078468609 /nfs/dbraw/zinc/46/86/09/1078468609.db2.gz TZTFKMPNMATYFH-UHFFFAOYSA-N 1 0 358.801 2.703 20 5 FFBDRO COc1cc(N[C@H]2C[NH2+]CC3(CCOCC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC001579166625 1078579352 /nfs/dbraw/zinc/57/93/52/1078579352.db2.gz MZRYBOCDATVRHM-LLVKDONJSA-N 1 0 355.822 2.827 20 5 FFBDRO C[C@H](NC(=O)[C@H]([NH3+])Cc1ccc2cc[nH]c2c1)c1ccccc1[N+](=O)[O-] ZINC001579480321 1078633739 /nfs/dbraw/zinc/63/37/39/1078633739.db2.gz JMAXXQPQHQWZBV-BLLLJJGKSA-N 1 0 352.394 2.823 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)c1F ZINC001579642363 1078653753 /nfs/dbraw/zinc/65/37/53/1078653753.db2.gz BWLUYSFBQJKKLE-NVXWUHKLSA-N 1 0 357.385 2.918 20 5 FFBDRO [NH3+][C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CC=CCC2)C1 ZINC001580189218 1078762245 /nfs/dbraw/zinc/76/22/45/1078762245.db2.gz JPDATDWGAVAKEX-GOEBONIOSA-N 1 0 368.441 2.747 20 5 FFBDRO [NH3+][C@@H]1CCc2ccccc2N(C(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC001580205292 1078765468 /nfs/dbraw/zinc/76/54/68/1078765468.db2.gz UFXIXDFOZPTNRL-OAHLLOKOSA-N 1 0 354.410 2.704 20 5 FFBDRO [NH3+]CC12CCC(CC1)N2C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001580248125 1078774194 /nfs/dbraw/zinc/77/41/94/1078774194.db2.gz KHXVBMDRKSKIPX-UHFFFAOYSA-N 1 0 358.423 2.814 20 5 FFBDRO [NH3+]CCCN(Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)CC(F)(F)F ZINC001580298613 1078782566 /nfs/dbraw/zinc/78/25/66/1078782566.db2.gz QITKTMUNYXBVEV-UHFFFAOYSA-N 1 0 358.320 2.963 20 5 FFBDRO [NH3+][C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)Cc1cc(F)c(F)cc1F ZINC001580365365 1078792499 /nfs/dbraw/zinc/79/24/99/1078792499.db2.gz YZVKJSLIOFTRLH-SNVBAGLBSA-N 1 0 353.300 2.911 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1C[NH2+][C@@H]1CCc2c1cccc2F ZINC001582804388 1079110126 /nfs/dbraw/zinc/11/01/26/1079110126.db2.gz RRVXGSRIEURKNN-OAHLLOKOSA-N 1 0 354.345 2.691 20 5 FFBDRO C[C@@H]1CN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CCN1c1cc[nH+]cc1 ZINC001583521090 1079227638 /nfs/dbraw/zinc/22/76/38/1079227638.db2.gz PGJQFDHIYREQNM-NFBGWVBBSA-N 1 0 352.394 2.740 20 5 FFBDRO CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccccc2Nc2cc[nH+]cc2)n1 ZINC001556440507 1075740912 /nfs/dbraw/zinc/74/09/12/1075740912.db2.gz SHULWOCYQPQAKZ-UHFFFAOYSA-N 1 0 352.354 2.624 20 5 FFBDRO C[NH+](C)[C@@H]1C[C@@H](NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1(C)C ZINC001557156176 1075816014 /nfs/dbraw/zinc/81/60/14/1075816014.db2.gz QQAYKQHOEOKQRL-QZTJIDSGSA-N 1 0 374.485 2.656 20 5 FFBDRO CC[N@@H+]1C[C@@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])C(C)(C)C1 ZINC001558528254 1076025645 /nfs/dbraw/zinc/02/56/45/1076025645.db2.gz UVPSSIYXAFJTLA-CYBMUJFWSA-N 1 0 370.247 2.817 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNc1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-] ZINC001559235059 1076137876 /nfs/dbraw/zinc/13/78/76/1076137876.db2.gz IUZFHAMITAWPIN-GFCCVEGCSA-N 1 0 359.386 2.758 20 5 FFBDRO C[C@H]1CCCC[C@H]1[N@H+](C)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001559751937 1076187839 /nfs/dbraw/zinc/18/78/39/1076187839.db2.gz OVYXPFHFHOPEAB-QFBILLFUSA-N 1 0 374.485 2.754 20 5 FFBDRO CC[C@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)[C@@H]1CCCOC1 ZINC001560097569 1076226046 /nfs/dbraw/zinc/22/60/46/1076226046.db2.gz HTRKKXRDBDNNEV-HIFRSBDPSA-N 1 0 365.430 2.727 20 5 FFBDRO C[C@@H]([NH2+]C[C@@](C)(O)CNC(=O)OC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC001560131744 1076232582 /nfs/dbraw/zinc/23/25/82/1076232582.db2.gz JIHYLCQJYGDRHJ-SJKOYZFVSA-N 1 0 353.419 2.521 20 5 FFBDRO O=[N+]([O-])c1cc(F)ccc1C[NH2+][C@@]1(CO)CCCN(Cc2ccccc2)C1 ZINC001560134395 1076232754 /nfs/dbraw/zinc/23/27/54/1076232754.db2.gz DNJYTZOIKIWMSD-FQEVSTJZSA-N 1 0 373.428 2.851 20 5 FFBDRO C[C@@H]([NH2+]CC(=O)Nc1cccc2nsnc21)c1ccc([N+](=O)[O-])cc1 ZINC001560131486 1076232798 /nfs/dbraw/zinc/23/27/98/1076232798.db2.gz DJNPTEPYCVNTLQ-SNVBAGLBSA-N 1 0 357.395 2.889 20 5 FFBDRO COc1ccc(C[NH2+]Cc2cccc(N3CCOC3=O)c2)cc1[N+](=O)[O-] ZINC001560285402 1076260511 /nfs/dbraw/zinc/26/05/11/1076260511.db2.gz QUUGFXSDJOQZOT-UHFFFAOYSA-N 1 0 357.366 2.850 20 5 FFBDRO Cc1ccc(CN2CC[C@@H]([NH2+]CCc3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC001560799233 1076300063 /nfs/dbraw/zinc/30/00/63/1076300063.db2.gz ZCVLRBAEGSITGN-LJQANCHMSA-N 1 0 353.422 2.836 20 5 FFBDRO CC[NH+](CC)Cc1ccc(CNC(=O)Nc2c(C)cncc2[N+](=O)[O-])cc1 ZINC001562587177 1076505763 /nfs/dbraw/zinc/50/57/63/1076505763.db2.gz TZSPCIZFACTFFI-UHFFFAOYSA-N 1 0 371.441 2.884 20 5 FFBDRO CCCN(CC[NH+]1CCCCCC1)C(=O)Nc1c(C)cncc1[N+](=O)[O-] ZINC001562587515 1076505788 /nfs/dbraw/zinc/50/57/88/1076505788.db2.gz HIGNEUCPOOREJL-UHFFFAOYSA-N 1 0 363.462 2.840 20 5 FFBDRO CC[C@@H](C[NH2+]CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1)C(=O)[O-] ZINC001573805425 1077802381 /nfs/dbraw/zinc/80/23/81/1077802381.db2.gz OGQDFTYNOVQQIG-KRWDZBQOSA-N 1 0 363.458 2.550 20 5 FFBDRO C[NH+](C)[C@@H]1C[C@H](NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C12CCC2 ZINC001585898847 1079511308 /nfs/dbraw/zinc/51/13/08/1079511308.db2.gz GFDWWCHSGXLZFB-LSDHHAIUSA-N 1 0 369.824 2.919 20 5 FFBDRO Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)c3cc(F)cc([N+](=O)[O-])c3N)C2)cc1 ZINC001587797261 1079867821 /nfs/dbraw/zinc/86/78/21/1079867821.db2.gz YGFGSQCJTVHETM-OAHLLOKOSA-N 1 0 372.400 2.629 20 5 FFBDRO CC[NH+]1CCN(c2cc(N(C)C(=O)C3=CCCC3)cc([N+](=O)[O-])c2)CC1 ZINC001587903206 1079889045 /nfs/dbraw/zinc/88/90/45/1079889045.db2.gz GJCXPWHBNUGMML-UHFFFAOYSA-N 1 0 358.442 2.810 20 5 FFBDRO C[C@H](Nc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001589978708 1080917443 /nfs/dbraw/zinc/91/74/43/1080917443.db2.gz YMVNGWYYCRFTNL-STQMWFEESA-N 1 0 371.445 2.840 20 5 FFBDRO C[C@H](Nc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001589978707 1080917919 /nfs/dbraw/zinc/91/79/19/1080917919.db2.gz YMVNGWYYCRFTNL-QWHCGFSZSA-N 1 0 371.445 2.840 20 5 FFBDRO Cc1c([N+](=O)[O-])cc(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1[N+](=O)[O-] ZINC000010815611 249315309 /nfs/dbraw/zinc/31/53/09/249315309.db2.gz SPLQMAUHHBQQKJ-UHFFFAOYSA-N 1 0 364.402 2.850 20 5 FFBDRO CCOC(=O)[C@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000026218841 249340935 /nfs/dbraw/zinc/34/09/35/249340935.db2.gz RNGDCILWTUHWSD-AWEZNQCLSA-N 1 0 363.414 2.507 20 5 FFBDRO Cn1cc(C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093505010 250037016 /nfs/dbraw/zinc/03/70/16/250037016.db2.gz NEXZDZKYNBWMQE-QAPCUYQASA-N 1 0 356.426 2.996 20 5 FFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@@H]2CCS(=O)(=O)C2)s1 ZINC000102420209 250109639 /nfs/dbraw/zinc/10/96/39/250109639.db2.gz KMRSIYHLQZDCHI-LLVKDONJSA-N 1 0 352.437 2.600 20 5 FFBDRO O=C(NC1CC1)[C@H]1CCC[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000104666870 250181984 /nfs/dbraw/zinc/18/19/84/250181984.db2.gz IOWAFPNVIPOARJ-MRXNPFEDSA-N 1 0 370.409 2.535 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)c1C ZINC000106891509 250296314 /nfs/dbraw/zinc/29/63/14/250296314.db2.gz KOOANLQVTZBLJU-CQSZACIVSA-N 1 0 367.471 2.507 20 5 FFBDRO C[C@@H]1SCC[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)[C@H]1C ZINC000118419490 250385794 /nfs/dbraw/zinc/38/57/94/250385794.db2.gz BQEWRORZHSFFTD-RYUDHWBXSA-N 1 0 351.428 2.719 20 5 FFBDRO Cc1c(C(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000119676234 250498946 /nfs/dbraw/zinc/49/89/46/250498946.db2.gz UHDZPNVVUZGSRP-CYBMUJFWSA-N 1 0 364.402 2.519 20 5 FFBDRO CCCN(C(=O)c1ccc([N+](=O)[O-])cc1Br)C1CC[NH2+]CC1 ZINC000163311596 251183543 /nfs/dbraw/zinc/18/35/43/251183543.db2.gz NRABDSCLMOPCSG-UHFFFAOYSA-N 1 0 370.247 2.962 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000186780938 251261679 /nfs/dbraw/zinc/26/16/79/251261679.db2.gz OKBFYMFAZKCIHG-CQSZACIVSA-N 1 0 364.446 2.521 20 5 FFBDRO Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000181085993 251240853 /nfs/dbraw/zinc/24/08/53/251240853.db2.gz UPOVRTQZTBAWEP-OAHLLOKOSA-N 1 0 354.410 2.571 20 5 FFBDRO Cc1c(NC(=O)CCN2CC[C@H]([NH+]3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000264600396 251318336 /nfs/dbraw/zinc/31/83/36/251318336.db2.gz NHEDBRDFNRDQCV-INIZCTEOSA-N 1 0 360.458 2.792 20 5 FFBDRO CC[NH+](CC)[C@H](C)CNC(=O)c1cc([N+](=O)[O-])ccc1SCCOC ZINC000271039272 251692478 /nfs/dbraw/zinc/69/24/78/251692478.db2.gz QFIXAZZPPWXVRM-CYBMUJFWSA-N 1 0 369.487 2.793 20 5 FFBDRO C[C@@H](NC(=O)c1ccc(N)c([N+](=O)[O-])c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272234590 251987570 /nfs/dbraw/zinc/98/75/70/251987570.db2.gz FKJJGNRKFGTEHT-PBHICJAKSA-N 1 0 368.437 2.817 20 5 FFBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000272425339 252036697 /nfs/dbraw/zinc/03/66/97/252036697.db2.gz CARKBRLVZRYJET-WBMJQRKESA-N 1 0 366.849 2.874 20 5 FFBDRO C[C@H]1CCCC[N@@H+]1CCN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272527029 252060877 /nfs/dbraw/zinc/06/08/77/252060877.db2.gz MGGNGMVKISUEHY-MAUKXSAKSA-N 1 0 357.458 2.882 20 5 FFBDRO C[C@@H]1CCC[N@H+](CCN[C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000272576458 252072266 /nfs/dbraw/zinc/07/22/66/252072266.db2.gz XGPLEQZJHZAMMJ-CRAIPNDOSA-N 1 0 357.458 2.739 20 5 FFBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)NCCCCc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000272637980 252088067 /nfs/dbraw/zinc/08/80/67/252088067.db2.gz XXZFFXKZMQFLEP-AEFFLSMTSA-N 1 0 360.458 2.653 20 5 FFBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1 ZINC000272599296 252077465 /nfs/dbraw/zinc/07/74/65/252077465.db2.gz UYINQUMXGHONBC-ZDUSSCGKSA-N 1 0 355.385 2.923 20 5 FFBDRO Cc1cc(NCCN2CCC([NH+](C)C)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272836865 252143491 /nfs/dbraw/zinc/14/34/91/252143491.db2.gz MDUMYVSLRCXFFZ-UHFFFAOYSA-N 1 0 357.458 2.889 20 5 FFBDRO CC(C)[C@H](CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])N1CCCC1 ZINC000272895042 252158345 /nfs/dbraw/zinc/15/83/45/252158345.db2.gz YPTMBUSQPFNSGT-LBPRGKRZSA-N 1 0 361.489 2.592 20 5 FFBDRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(F)c1 ZINC000272986741 252183613 /nfs/dbraw/zinc/18/36/13/252183613.db2.gz ZXQNSZIXKPVPBY-GFCCVEGCSA-N 1 0 352.387 2.858 20 5 FFBDRO C[NH+](C)CCCOC1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000273350947 252287795 /nfs/dbraw/zinc/28/77/95/252287795.db2.gz CMPKJSNJHOFYOG-UHFFFAOYSA-N 1 0 368.409 2.699 20 5 FFBDRO O=C(CCN1CC[C@@H]([NH+]2CCCCC2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000275520993 256020002 /nfs/dbraw/zinc/02/00/02/256020002.db2.gz VMBNBGFQOMCFJC-OAHLLOKOSA-N 1 0 364.421 2.623 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccccc1CC[NH+](C)C ZINC000275715348 256041732 /nfs/dbraw/zinc/04/17/32/256041732.db2.gz LJBPQYXKEIDNIQ-UHFFFAOYSA-N 1 0 363.439 2.808 20 5 FFBDRO Cc1ccc(C)c(S(=O)(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000276806879 256132753 /nfs/dbraw/zinc/13/27/53/256132753.db2.gz LOIYEBQUUHPUFP-AWEZNQCLSA-N 1 0 369.487 2.562 20 5 FFBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000277267647 256178270 /nfs/dbraw/zinc/17/82/70/256178270.db2.gz MCSNXXPBTCLSRP-NSHDSACASA-N 1 0 370.247 2.914 20 5 FFBDRO CCOc1cc(C[NH+]2CCC([C@H](O)c3nccn3C)CC2)ccc1[N+](=O)[O-] ZINC000276913192 256142482 /nfs/dbraw/zinc/14/24/82/256142482.db2.gz NTPDNRXHHLNSSF-SFHVURJKSA-N 1 0 374.441 2.673 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000278062657 256272341 /nfs/dbraw/zinc/27/23/41/256272341.db2.gz UYFYUGWAWZGYAT-UHFFFAOYSA-N 1 0 371.437 2.816 20 5 FFBDRO CC(C)N(CC(=O)N1CCCCCC1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000285786506 257004819 /nfs/dbraw/zinc/00/48/19/257004819.db2.gz SWHAKUJTVKLUGS-GOSISDBHSA-N 1 0 363.458 2.741 20 5 FFBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000278732449 256342592 /nfs/dbraw/zinc/34/25/92/256342592.db2.gz RZFBBSYZUZZWCU-AWEZNQCLSA-N 1 0 369.849 2.523 20 5 FFBDRO CCC[C@@H]([NH2+]C[C@H]1CCn2ncc(C(N)=O)c2C1)c1cccc([N+](=O)[O-])c1 ZINC000280869536 256578035 /nfs/dbraw/zinc/57/80/35/256578035.db2.gz CUYFCONTZRRWJY-SUMWQHHRSA-N 1 0 371.441 2.584 20 5 FFBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000286099887 257020272 /nfs/dbraw/zinc/02/02/72/257020272.db2.gz CXWJNQFIIJEOGL-UHFFFAOYSA-N 1 0 374.485 2.792 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H](c2ccsc2)[NH+](C)C)n1 ZINC000286134954 257021837 /nfs/dbraw/zinc/02/18/37/257021837.db2.gz NBSWOKJXLYHRHH-ZDUSSCGKSA-N 1 0 350.400 2.553 20 5 FFBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000286285106 257029275 /nfs/dbraw/zinc/02/92/75/257029275.db2.gz IJZDKMSTEYKOKN-CZUORRHYSA-N 1 0 358.442 2.550 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](CCCO)Cc1ccccn1 ZINC000287710734 257104127 /nfs/dbraw/zinc/10/41/27/257104127.db2.gz JPZGHPJWRJXJMJ-UHFFFAOYSA-N 1 0 372.425 2.511 20 5 FFBDRO COc1ccc(C[NH2+]CCCn2cc(Br)cn2)cc1[N+](=O)[O-] ZINC000288394234 257183790 /nfs/dbraw/zinc/18/37/90/257183790.db2.gz HJQWQZJQLZRLNE-UHFFFAOYSA-N 1 0 369.219 2.742 20 5 FFBDRO CC(C)(CO)[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1cccs1 ZINC000289474680 257283364 /nfs/dbraw/zinc/28/33/64/257283364.db2.gz ZGTUPQOMOAPPQQ-OAHLLOKOSA-N 1 0 363.439 2.605 20 5 FFBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)Nc1cc([N+](=O)[O-])ccc1CC ZINC000289654107 257292457 /nfs/dbraw/zinc/29/24/57/257292457.db2.gz DMKOPJCASCBJFY-HNNXBMFYSA-N 1 0 352.435 2.636 20 5 FFBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cnc(N2CCOCC2)s1 ZINC000289562317 257287425 /nfs/dbraw/zinc/28/74/25/257287425.db2.gz RWJSGHBGXXRZQF-UHFFFAOYSA-N 1 0 362.455 2.562 20 5 FFBDRO C[C@@H]([NH2+]C(C)(C)CNc1nccc(C(N)=O)c1[N+](=O)[O-])c1ccccc1 ZINC000290518364 257338393 /nfs/dbraw/zinc/33/83/93/257338393.db2.gz FXHPFDOHKHMMNA-GFCCVEGCSA-N 1 0 357.414 2.630 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCc2ccncc2OCCC[NH+](C)C)c1 ZINC000290722538 257354507 /nfs/dbraw/zinc/35/45/07/257354507.db2.gz VSHXOHMIGCCTHF-UHFFFAOYSA-N 1 0 372.425 2.559 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000296919190 257767238 /nfs/dbraw/zinc/76/72/38/257767238.db2.gz YZSDZZBEXVXTPQ-GOSISDBHSA-N 1 0 362.430 2.943 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H]([NH3+])C2)c1 ZINC000297209037 257801723 /nfs/dbraw/zinc/80/17/23/257801723.db2.gz NHYFIGMFINGKRC-DOTOQJQBSA-N 1 0 373.384 2.700 20 5 FFBDRO Cc1cccc(C(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000297314320 257815650 /nfs/dbraw/zinc/81/56/50/257815650.db2.gz WIVKVVWSWGFSNR-WBVHZDCISA-N 1 0 357.385 2.999 20 5 FFBDRO C[N@@H+]1CCCC[C@@H]1CN1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000301189928 258032479 /nfs/dbraw/zinc/03/24/79/258032479.db2.gz LUFXKIILNOHBJE-OAHLLOKOSA-N 1 0 352.866 2.855 20 5 FFBDRO COC[C@H]([NH2+]CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1ccccc1 ZINC000299731373 258021061 /nfs/dbraw/zinc/02/10/61/258021061.db2.gz XDIFLJFKJYNRTA-KRWDZBQOSA-N 1 0 373.409 2.909 20 5 FFBDRO COc1ccc(NC(=O)CC[N@H+](Cc2cccnc2)C2CC2)c([N+](=O)[O-])c1 ZINC000299730506 258021400 /nfs/dbraw/zinc/02/14/00/258021400.db2.gz WSNLWVOZITUDBZ-UHFFFAOYSA-N 1 0 370.409 2.992 20 5 FFBDRO Cc1cc(N2CCC([N@H+](C)CCCO)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000302047481 258084491 /nfs/dbraw/zinc/08/44/91/258084491.db2.gz YTQPCEGEPOXJFQ-UHFFFAOYSA-N 1 0 358.442 2.734 20 5 FFBDRO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000302394316 258100389 /nfs/dbraw/zinc/10/03/89/258100389.db2.gz CPJNGTFGCLDMFQ-LJQANCHMSA-N 1 0 359.401 2.807 20 5 FFBDRO Cc1nn(C)c(N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c1[N+](=O)[O-] ZINC000312058468 258115589 /nfs/dbraw/zinc/11/55/89/258115589.db2.gz GSQSCKPGJXWNCR-SJORKVTESA-N 1 0 355.442 2.595 20 5 FFBDRO COC(=O)c1cc(NCc2ccc(-n3ccnc3)nc2)cc(C)c1[N+](=O)[O-] ZINC000301592013 258057510 /nfs/dbraw/zinc/05/75/10/258057510.db2.gz YMQMSNIBGFXKEE-UHFFFAOYSA-N 1 0 367.365 2.883 20 5 FFBDRO Cc1nc(NC[C@@H](C)[NH+]2CCN(c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000301667228 258061871 /nfs/dbraw/zinc/06/18/71/258061871.db2.gz XGEUMKASYWKQHK-OAHLLOKOSA-N 1 0 355.442 2.921 20 5 FFBDRO CNC(=O)c1ccc(N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000301826373 258069698 /nfs/dbraw/zinc/06/96/98/258069698.db2.gz JEEOUYIKFUQJAT-FUHWJXTLSA-N 1 0 372.400 2.951 20 5 FFBDRO C[C@H](O)C[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)C[C@@H]1C ZINC000301854741 258070525 /nfs/dbraw/zinc/07/05/25/258070525.db2.gz CIMDWRUNRRLFTO-KBPBESRZSA-N 1 0 351.447 2.663 20 5 FFBDRO O=[N+]([O-])c1cnc2ccc(N3CCC(CCC[NH+]4CCCC4)CC3)nn21 ZINC000301984019 258080456 /nfs/dbraw/zinc/08/04/56/258080456.db2.gz YQBHNJCTAZEDEK-UHFFFAOYSA-N 1 0 358.446 2.730 20 5 FFBDRO Cc1cc(N2CC[NH+](C[C@H]3CCOC3)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000301993577 258081037 /nfs/dbraw/zinc/08/10/37/258081037.db2.gz GSARYYBPEBEWPZ-OAHLLOKOSA-N 1 0 356.426 2.610 20 5 FFBDRO O=[N+]([O-])c1cnc2ccc(NC[C@@H]3CC[N@H+](CCc4ccccc4)C3)nn21 ZINC000302019149 258082489 /nfs/dbraw/zinc/08/24/89/258082489.db2.gz ZUQZTKRGQIWTNM-INIZCTEOSA-N 1 0 366.425 2.614 20 5 FFBDRO C[C@H]1C[NH+](CC2CCN(Cc3csc([N+](=O)[O-])c3)CC2)C[C@H](C)O1 ZINC000330427431 258163787 /nfs/dbraw/zinc/16/37/87/258163787.db2.gz KLCXZVCISANDLQ-KBPBESRZSA-N 1 0 353.488 2.978 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1[C@H](C)C[N@@H+](C)C[C@@H]1C ZINC000330481093 258164663 /nfs/dbraw/zinc/16/46/63/258164663.db2.gz SYUKFCDLXIRBJB-TUAOUCFPSA-N 1 0 355.822 2.567 20 5 FFBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000331106901 258177374 /nfs/dbraw/zinc/17/73/74/258177374.db2.gz GSHOKAFOYRSGRS-FRRDWIJNSA-N 1 0 369.412 2.898 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@@H]2CCCC[N@H+]2C[C@@H]1C ZINC000331980682 258208690 /nfs/dbraw/zinc/20/86/90/258208690.db2.gz FHXJGHDTRNFKDV-RDJZCZTQSA-N 1 0 360.458 2.790 20 5 FFBDRO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000332065466 258212083 /nfs/dbraw/zinc/21/20/83/258212083.db2.gz SINFGDVXIGKJKM-AAEUAGOBSA-N 1 0 370.356 2.945 20 5 FFBDRO CCc1ccc(C(=O)N2C[C@@H]([NH+]3CCCC3)[C@@H](SC)C2)cc1[N+](=O)[O-] ZINC000332080887 258212942 /nfs/dbraw/zinc/21/29/42/258212942.db2.gz KRJNBONUVZTIQY-SJORKVTESA-N 1 0 363.483 2.809 20 5 FFBDRO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@](C)(OC)CC2)c([N+](=O)[O-])c1 ZINC000332331080 258225714 /nfs/dbraw/zinc/22/57/14/258225714.db2.gz QIGNCCSOIYPIGV-SCLBCKFNSA-N 1 0 365.430 2.821 20 5 FFBDRO CC[NH+]1CCC(N(C)C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 ZINC000332357878 258226948 /nfs/dbraw/zinc/22/69/48/258226948.db2.gz CGDJBKUAZJRPLV-UHFFFAOYSA-N 1 0 360.458 2.751 20 5 FFBDRO C[C@@H]1C[C@@H](C)N(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000397307542 512944610 /nfs/dbraw/zinc/94/46/10/512944610.db2.gz INURYQPRJWIBTK-FOGDFJRCSA-N 1 0 370.247 2.803 20 5 FFBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[NH+](CC2CC2)CC1 ZINC000053237186 506340435 /nfs/dbraw/zinc/34/04/35/506340435.db2.gz XHXNESKPYDFXBW-LBPRGKRZSA-N 1 0 366.849 2.603 20 5 FFBDRO O=C(CCn1cc([N+](=O)[O-])cn1)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000065780054 506364063 /nfs/dbraw/zinc/36/40/63/506364063.db2.gz HZCXQQCZANAADQ-UHFFFAOYSA-N 1 0 357.414 2.806 20 5 FFBDRO C[NH+](C)Cc1cccc(CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)c1 ZINC000065843439 506378235 /nfs/dbraw/zinc/37/82/35/506378235.db2.gz JFMMRVSTQBFQDE-UHFFFAOYSA-N 1 0 366.421 2.928 20 5 FFBDRO CC[N@H+](C)Cc1cccc(CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000065970883 506403922 /nfs/dbraw/zinc/40/39/22/506403922.db2.gz PXPYAEJODQJXKP-UHFFFAOYSA-N 1 0 369.468 2.587 20 5 FFBDRO CC(C)(CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)[NH+]1CCCCC1 ZINC000066041617 506414397 /nfs/dbraw/zinc/41/43/97/506414397.db2.gz HHZGLTWUUYDXOJ-UHFFFAOYSA-N 1 0 358.442 2.930 20 5 FFBDRO CC[C@H](C)[N@H+](C)CCNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000066137816 506427165 /nfs/dbraw/zinc/42/71/65/506427165.db2.gz KXLOJDIQHVSFTE-HNNXBMFYSA-N 1 0 362.474 2.658 20 5 FFBDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)Cn2ccc([N+](=O)[O-])n2)cc1 ZINC000053722101 506436026 /nfs/dbraw/zinc/43/60/26/506436026.db2.gz PCBBQPUOAXAQPO-AWEZNQCLSA-N 1 0 357.414 2.804 20 5 FFBDRO Cc1cc(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)ccc1[N+](=O)[O-] ZINC000053992180 506472467 /nfs/dbraw/zinc/47/24/67/506472467.db2.gz DPYCSSLRJMPDFO-UHFFFAOYSA-N 1 0 357.410 2.774 20 5 FFBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000054226573 506517370 /nfs/dbraw/zinc/51/73/70/506517370.db2.gz MRCQQNKSHFJBPX-RDJZCZTQSA-N 1 0 369.421 2.925 20 5 FFBDRO C[NH+](C)CCOc1ccc(NC(=O)CCOc2ccccc2[N+](=O)[O-])cc1 ZINC000055446260 506753810 /nfs/dbraw/zinc/75/38/10/506753810.db2.gz WIENMUMTSINGTH-UHFFFAOYSA-N 1 0 373.409 2.943 20 5 FFBDRO C[N@H+](CCNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)Cc1ccccc1 ZINC000056191982 506958492 /nfs/dbraw/zinc/95/84/92/506958492.db2.gz ZLTTUZSIGFLMAD-UHFFFAOYSA-N 1 0 352.394 2.938 20 5 FFBDRO C[C@H](NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cn(-c2ccccc2)nn1 ZINC000367074976 512325094 /nfs/dbraw/zinc/32/50/94/512325094.db2.gz RABRUNJKXIIRCR-LBPRGKRZSA-N 1 0 368.353 2.935 20 5 FFBDRO CC[NH+](CC)CCOc1ccccc1CNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000046890710 507218074 /nfs/dbraw/zinc/21/80/74/507218074.db2.gz CZTPLUVCKKEBCL-UHFFFAOYSA-N 1 0 360.414 2.574 20 5 FFBDRO O=C(COc1cccc([N+](=O)[O-])c1)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000046917771 507221654 /nfs/dbraw/zinc/22/16/54/507221654.db2.gz RMGNTCXIAFEMRS-LJQANCHMSA-N 1 0 369.421 2.927 20 5 FFBDRO O=C(NCC1CC[NH+](Cc2ccncc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000023015719 507324473 /nfs/dbraw/zinc/32/44/73/507324473.db2.gz BHIYZGZRSWDMNX-UHFFFAOYSA-N 1 0 354.410 2.632 20 5 FFBDRO O=C(COc1ccccc1[N+](=O)[O-])NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000023738354 507370553 /nfs/dbraw/zinc/37/05/53/507370553.db2.gz IBCWHDWPQHVFSS-GOSISDBHSA-N 1 0 369.421 2.927 20 5 FFBDRO CNc1ccc(C(=O)NCc2cccc(OCC[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000047673094 507377258 /nfs/dbraw/zinc/37/72/58/507377258.db2.gz LQWJJKQTXWVWIT-UHFFFAOYSA-N 1 0 372.425 2.507 20 5 FFBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000069045936 507391045 /nfs/dbraw/zinc/39/10/45/507391045.db2.gz BFLVLAPRRNEHES-OAHLLOKOSA-N 1 0 358.442 2.786 20 5 FFBDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000069389216 507479658 /nfs/dbraw/zinc/47/96/58/507479658.db2.gz YFDANXDLQBJPBS-OAHLLOKOSA-N 1 0 364.446 2.537 20 5 FFBDRO CC1(C)CC(NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)CC(C)(C)[NH2+]1 ZINC000027368082 507651574 /nfs/dbraw/zinc/65/15/74/507651574.db2.gz JENZAKPQLYLWDP-UHFFFAOYSA-N 1 0 363.462 2.615 20 5 FFBDRO CC[NH+](CC)CCOc1ccccc1NC(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000064337034 507791509 /nfs/dbraw/zinc/79/15/09/507791509.db2.gz MYVKSEYFMFGNPF-UHFFFAOYSA-N 1 0 361.402 2.599 20 5 FFBDRO CC(C)C[C@H](CNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])[NH+](C)C ZINC000064430275 507796037 /nfs/dbraw/zinc/79/60/37/507796037.db2.gz UQIYGMGOUWRIEE-OAHLLOKOSA-N 1 0 373.457 2.948 20 5 FFBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3cnn(-c4ccccc4)c3)C2)nc1 ZINC000072665022 507840521 /nfs/dbraw/zinc/84/05/21/507840521.db2.gz KGHAMPHJKWSART-INIZCTEOSA-N 1 0 364.409 2.862 20 5 FFBDRO COc1ccc(C(=O)NCC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000089514282 507844301 /nfs/dbraw/zinc/84/43/01/507844301.db2.gz HNWQYOYHNZFPED-AWEZNQCLSA-N 1 0 357.410 2.992 20 5 FFBDRO Cc1ccc(S(=O)(=O)NCCC[NH+](C(C)C)C(C)C)c([N+](=O)[O-])c1 ZINC000072717087 507846235 /nfs/dbraw/zinc/84/62/35/507846235.db2.gz WRMPRBGCUYMQHR-UHFFFAOYSA-N 1 0 357.476 2.690 20 5 FFBDRO CC[N@@H+]1CC[C@@H](CNC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)C1 ZINC000107891836 507873113 /nfs/dbraw/zinc/87/31/13/507873113.db2.gz FENNZVACQLRNQU-INIZCTEOSA-N 1 0 374.485 2.903 20 5 FFBDRO COc1cc(C[N@@H+]2CCC[C@H]([C@@H](C)O)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000089929006 507885842 /nfs/dbraw/zinc/88/58/42/507885842.db2.gz BTCMQATTYUVRMA-MNOVXSKESA-N 1 0 360.357 2.798 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000108305867 507885930 /nfs/dbraw/zinc/88/59/30/507885930.db2.gz IRJKUBKZTNWJIQ-FZMZJTMJSA-N 1 0 367.833 2.616 20 5 FFBDRO COC[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1cccc(C(F)(F)F)c1 ZINC000090538184 507925919 /nfs/dbraw/zinc/92/59/19/507925919.db2.gz AEOPIOAQBUOVEA-CQSZACIVSA-N 1 0 358.320 2.787 20 5 FFBDRO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000091453555 507986835 /nfs/dbraw/zinc/98/68/35/507986835.db2.gz OMOWVCRHOOMXOR-ZDUSSCGKSA-N 1 0 365.405 2.975 20 5 FFBDRO Cc1c(C(=O)NCC2([NH+]3CCCCC3)CCOCC2)cccc1[N+](=O)[O-] ZINC000109980985 507999265 /nfs/dbraw/zinc/99/92/65/507999265.db2.gz KHUJPPZEFGMICO-UHFFFAOYSA-N 1 0 361.442 2.668 20 5 FFBDRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000080125658 508041378 /nfs/dbraw/zinc/04/13/78/508041378.db2.gz AFXCPYKLNZYVMH-LBPRGKRZSA-N 1 0 357.332 2.828 20 5 FFBDRO C[C@H](CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[N@H+](C)Cc1ccccc1 ZINC000110966869 508061288 /nfs/dbraw/zinc/06/12/88/508061288.db2.gz NMAQZJXQOOLGIK-CYBMUJFWSA-N 1 0 367.409 2.721 20 5 FFBDRO Cc1ccc(NCCCC[NH+]2CCN(c3ncccn3)CC2)c([N+](=O)[O-])c1 ZINC000080612247 508088660 /nfs/dbraw/zinc/08/86/60/508088660.db2.gz NDXZUROYVBHVME-UHFFFAOYSA-N 1 0 370.457 2.708 20 5 FFBDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000111575227 508108705 /nfs/dbraw/zinc/10/87/05/508108705.db2.gz GJDZHBGORFXOOO-CYBMUJFWSA-N 1 0 374.441 2.677 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+](CCc2ccccc2)C2CCCC2)c1 ZINC000075674739 508126890 /nfs/dbraw/zinc/12/68/90/508126890.db2.gz VQKDPSPZHRCIAJ-LJQANCHMSA-N 1 0 358.442 2.640 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000081096033 508136840 /nfs/dbraw/zinc/13/68/40/508136840.db2.gz UAPKAZZVTKUAJJ-IUODEOHRSA-N 1 0 368.865 2.849 20 5 FFBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3cccc4c3OCCCO4)C2)nc1 ZINC000093534231 508147728 /nfs/dbraw/zinc/14/77/28/508147728.db2.gz UCPVCLRMEOYINE-HNNXBMFYSA-N 1 0 370.409 2.838 20 5 FFBDRO CC[C@@H](C)[N@H+](C)CCNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000112079815 508149528 /nfs/dbraw/zinc/14/95/28/508149528.db2.gz KACPCQVOPIFIFM-CYBMUJFWSA-N 1 0 359.430 2.702 20 5 FFBDRO CCc1ccc([C@@H]2C[C@@H](C)CC[N@@H+]2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)o1 ZINC000076145404 508163467 /nfs/dbraw/zinc/16/34/67/508163467.db2.gz OGSLSUSBVGTMMU-QRTARXTBSA-N 1 0 362.430 2.781 20 5 FFBDRO COc1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000112700709 508211317 /nfs/dbraw/zinc/21/13/17/508211317.db2.gz BJQWRFRSGCLUMC-HNNXBMFYSA-N 1 0 363.458 2.978 20 5 FFBDRO C[NH+](C)CCN(Cc1cccs1)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000084250835 508271420 /nfs/dbraw/zinc/27/14/20/508271420.db2.gz ZIWFCEFIAZLIJQ-UHFFFAOYSA-N 1 0 363.439 2.626 20 5 FFBDRO C[N@H+](CCN1CCOCC1)Cc1cc(=O)oc2ccc3ccccc3c12 ZINC000114464417 508318121 /nfs/dbraw/zinc/31/81/21/508318121.db2.gz LZJRZZYVWBRRPV-UHFFFAOYSA-N 1 0 352.434 2.710 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000114641563 508332838 /nfs/dbraw/zinc/33/28/38/508332838.db2.gz RGKXQMXLPAYCTA-MRXNPFEDSA-N 1 0 369.421 2.998 20 5 FFBDRO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000087116219 508337206 /nfs/dbraw/zinc/33/72/06/508337206.db2.gz HEJRTMZIJQEMFA-MRXNPFEDSA-N 1 0 358.442 2.679 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000105168801 508363643 /nfs/dbraw/zinc/36/36/43/508363643.db2.gz LSRZFIVETLUFLV-AWEZNQCLSA-N 1 0 364.446 2.523 20 5 FFBDRO CC[NH+](CC)CCSCC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088349572 508366145 /nfs/dbraw/zinc/36/61/45/508366145.db2.gz GHNQGKCYXOEGCX-UHFFFAOYSA-N 1 0 351.472 2.555 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000115255226 508378442 /nfs/dbraw/zinc/37/84/42/508378442.db2.gz NTPMDSOUNUGKNA-UHFFFAOYSA-N 1 0 361.442 2.940 20 5 FFBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2C)[C@H](C)C1 ZINC000115270344 508380060 /nfs/dbraw/zinc/38/00/60/508380060.db2.gz IITJRRMKTWHOEW-QAPCUYQASA-N 1 0 363.458 2.770 20 5 FFBDRO COc1cc(C[N@@H+]2CC[C@H](Nc3ccncc3[N+](=O)[O-])C2)cc(OC)c1 ZINC000088751559 508382503 /nfs/dbraw/zinc/38/25/03/508382503.db2.gz PGEPNFUNNCCUTB-AWEZNQCLSA-N 1 0 358.398 2.693 20 5 FFBDRO CC[NH+](CC)CCNC(=O)c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 ZINC000115520417 508405437 /nfs/dbraw/zinc/40/54/37/508405437.db2.gz OYZJLJZSIIHNKR-UHFFFAOYSA-N 1 0 358.398 2.854 20 5 FFBDRO CN1CCN(C(=O)Cc2cccc(NCc3cccc([N+](=O)[O-])c3)c2)CC1 ZINC000152434823 508446016 /nfs/dbraw/zinc/44/60/16/508446016.db2.gz KSBIHDAKQSQOBX-UHFFFAOYSA-N 1 0 368.437 2.523 20 5 FFBDRO Cc1n[nH]c(C(=O)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c1[N+](=O)[O-] ZINC000116206383 508486332 /nfs/dbraw/zinc/48/63/32/508486332.db2.gz CNCGXAHGIVDULC-CYBMUJFWSA-N 1 0 371.441 2.788 20 5 FFBDRO C[C@H](N[C@@H](CC[NH+](C)C)C(C)(C)C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000116396634 508506362 /nfs/dbraw/zinc/50/63/62/508506362.db2.gz GNYSRCXXHFZIAQ-BBRMVZONSA-N 1 0 350.463 2.878 20 5 FFBDRO CC(C)C[NH+]1CCC(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC1 ZINC000134306709 508518953 /nfs/dbraw/zinc/51/89/53/508518953.db2.gz CQPCKBJKZVYZTJ-UHFFFAOYSA-N 1 0 371.441 2.631 20 5 FFBDRO O=C(CC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)N1CCc2ccccc21 ZINC000153034906 508541392 /nfs/dbraw/zinc/54/13/92/508541392.db2.gz YATKBPKYPYNQGA-UHFFFAOYSA-N 1 0 351.406 2.932 20 5 FFBDRO CC[C@H](C)[N@H+](C)CCNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116746451 508554479 /nfs/dbraw/zinc/55/44/79/508554479.db2.gz ZXVMXQUTOHFZBK-LBPRGKRZSA-N 1 0 357.838 2.864 20 5 FFBDRO COc1ccc(NC(=O)[C@@H](C)N2CCc3c(cccc3[N+](=O)[O-])C2)cc1 ZINC000153312056 508570331 /nfs/dbraw/zinc/57/03/31/508570331.db2.gz VPFSLVHKUSTSNU-CYBMUJFWSA-N 1 0 355.394 2.989 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000134918844 508575119 /nfs/dbraw/zinc/57/51/19/508575119.db2.gz SPTFVWARVUCHDM-GDBMZVCRSA-N 1 0 369.421 2.996 20 5 FFBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC(CCC[NH+](C)C)CC1 ZINC000123155399 508643961 /nfs/dbraw/zinc/64/39/61/508643961.db2.gz ACXXQSPSPMGDQG-OAHLLOKOSA-N 1 0 362.474 2.976 20 5 FFBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[NH+]1CCCCC1 ZINC000136018728 508665351 /nfs/dbraw/zinc/66/53/51/508665351.db2.gz WYRXPPMGHDDZCV-UHFFFAOYSA-N 1 0 367.471 2.549 20 5 FFBDRO Cc1c(CN2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)cccc1[N+](=O)[O-] ZINC000153920211 508676980 /nfs/dbraw/zinc/67/69/80/508676980.db2.gz XXDQTAZVUJBSKR-CALCHBBNSA-N 1 0 360.502 2.894 20 5 FFBDRO C[C@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CN(C)CCO1 ZINC000129100002 508683109 /nfs/dbraw/zinc/68/31/09/508683109.db2.gz LMFMKOHYXQNCLN-BLLLJJGKSA-N 1 0 362.455 2.527 20 5 FFBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000137232013 508746075 /nfs/dbraw/zinc/74/60/75/508746075.db2.gz GQKHRGKXEWVVKP-UHFFFAOYSA-N 1 0 360.458 2.797 20 5 FFBDRO C[C@H]1C[C@H](NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC000123897668 508755057 /nfs/dbraw/zinc/75/50/57/508755057.db2.gz WUGIBFBYAQTXEI-CABZTGNLSA-N 1 0 368.231 2.712 20 5 FFBDRO C[C@@H]1C[C@@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)C[N@@H+]1Cc1ccccc1 ZINC000137455801 508756078 /nfs/dbraw/zinc/75/60/78/508756078.db2.gz WDRKRUHYXLLZEF-NVXWUHKLSA-N 1 0 369.421 2.753 20 5 FFBDRO C[C@H]1C[C@@H](NC(=O)CNc2ccccc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000137432896 508756108 /nfs/dbraw/zinc/75/61/08/508756108.db2.gz YEOILEHXMYXTIN-DOTOQJQBSA-N 1 0 368.437 2.786 20 5 FFBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000158857569 508760524 /nfs/dbraw/zinc/76/05/24/508760524.db2.gz YVMYUAHWJACZSN-KRWDZBQOSA-N 1 0 372.425 2.867 20 5 FFBDRO CC[N@@H+]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2SCCOC)C1 ZINC000137948828 508767463 /nfs/dbraw/zinc/76/74/63/508767463.db2.gz RMDJGELDHCXJNN-ZDUSSCGKSA-N 1 0 367.471 2.547 20 5 FFBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3N3CCCC3)CC[C@@H]21 ZINC000154394429 508775896 /nfs/dbraw/zinc/77/58/96/508775896.db2.gz FGSCAKJDNZSOCI-QAPCUYQASA-N 1 0 372.469 2.751 20 5 FFBDRO O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NC[C@H]1CCC[NH2+]C1 ZINC000129946000 508782553 /nfs/dbraw/zinc/78/25/53/508782553.db2.gz OAEAAHUPQQYJFW-NSHDSACASA-N 1 0 374.363 2.531 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000159061907 508787749 /nfs/dbraw/zinc/78/77/49/508787749.db2.gz NFWAHCBLGPBSDD-CYBMUJFWSA-N 1 0 357.414 2.909 20 5 FFBDRO COc1cc(C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000159235581 508812020 /nfs/dbraw/zinc/81/20/20/508812020.db2.gz NSKYGRFYKKPJGO-MRXNPFEDSA-N 1 0 361.373 2.775 20 5 FFBDRO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000124552401 508850641 /nfs/dbraw/zinc/85/06/41/508850641.db2.gz WSTOFKOOTYGKBL-HNNXBMFYSA-N 1 0 358.442 2.679 20 5 FFBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159533608 508854939 /nfs/dbraw/zinc/85/49/39/508854939.db2.gz INANOZYIXWCUGE-PGUXBMHVSA-N 1 0 355.822 2.668 20 5 FFBDRO Cc1ccc(CNc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)cc1[N+](=O)[O-] ZINC000124613530 508859234 /nfs/dbraw/zinc/85/92/34/508859234.db2.gz FCXOGNICMSUPDZ-UHFFFAOYSA-N 1 0 370.409 2.985 20 5 FFBDRO CCC[C@H]1CN(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC[N@@H+]1CCOC ZINC000154866128 508872849 /nfs/dbraw/zinc/87/28/49/508872849.db2.gz SKHWNSKDDDJBCZ-INIZCTEOSA-N 1 0 364.446 2.868 20 5 FFBDRO Cc1c(CC(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000159936337 508914095 /nfs/dbraw/zinc/91/40/95/508914095.db2.gz CMQWXNPFZGORRN-GOSISDBHSA-N 1 0 355.438 2.735 20 5 FFBDRO O=C1CCCCN1C1CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000120134504 508935594 /nfs/dbraw/zinc/93/55/94/508935594.db2.gz VXEMOZUDKIRVOR-UHFFFAOYSA-N 1 0 361.442 2.841 20 5 FFBDRO C[NH2+][C@H]1CCCN(C(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC000150996776 508937434 /nfs/dbraw/zinc/93/74/34/508937434.db2.gz BRTAJSADOWHCHI-UXLLHSPISA-N 1 0 374.485 2.901 20 5 FFBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000160237171 508958502 /nfs/dbraw/zinc/95/85/02/508958502.db2.gz BOIIIVQNUUNRFL-ZFWWWQNUSA-N 1 0 352.398 2.570 20 5 FFBDRO [NH3+]C[C@H]1CCCN1C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000160369072 508977034 /nfs/dbraw/zinc/97/70/34/508977034.db2.gz YQSBOMHSNPTLBC-MRXNPFEDSA-N 1 0 354.410 2.770 20 5 FFBDRO Cc1ccc([C@@H](C)[NH2+]Cc2cccnc2N2CCOCC2)cc1[N+](=O)[O-] ZINC000151243157 508984978 /nfs/dbraw/zinc/98/49/78/508984978.db2.gz VKLIAEJREPCLFQ-OAHLLOKOSA-N 1 0 356.426 2.986 20 5 FFBDRO C[C@@H]([NH2+][C@H](C)C1CCOCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000125468933 508987356 /nfs/dbraw/zinc/98/73/56/508987356.db2.gz LDVXVUCUERZHND-GHMZBOCLSA-N 1 0 355.822 2.980 20 5 FFBDRO COc1ccc(OCC[NH2+]C(C)(C)C(=O)NCC(C)(C)C)c([N+](=O)[O-])c1 ZINC000155502664 509014282 /nfs/dbraw/zinc/01/42/82/509014282.db2.gz QJMGMMKMDSUXFF-UHFFFAOYSA-N 1 0 367.446 2.513 20 5 FFBDRO C[NH+](C)CCCC1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000132450389 509033897 /nfs/dbraw/zinc/03/38/97/509033897.db2.gz OPRFWKDBQGPWMM-UHFFFAOYSA-N 1 0 362.474 2.977 20 5 FFBDRO COc1ccc(NC(=O)[C@H](C)[N@H+](C)CCC2CCOCC2)c([N+](=O)[O-])c1 ZINC000120709250 509049520 /nfs/dbraw/zinc/04/95/20/509049520.db2.gz AQSIIDHTBXIIOU-ZDUSSCGKSA-N 1 0 365.430 2.679 20 5 FFBDRO CC[NH+]1CCC(CCNS(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])CC1 ZINC000120974538 509101086 /nfs/dbraw/zinc/10/10/86/509101086.db2.gz KAWDAZXKDBWSEA-UHFFFAOYSA-N 1 0 369.487 2.612 20 5 FFBDRO CCOC(=O)c1ccnc(NC[C@H]2CCC[N@H+](CC(C)C)C2)c1[N+](=O)[O-] ZINC000161318313 509101234 /nfs/dbraw/zinc/10/12/34/509101234.db2.gz AIZLDPYECKTVNV-CQSZACIVSA-N 1 0 364.446 2.946 20 5 FFBDRO COC(=O)C1=NOC2(C1)CC[NH+]([C@@H](C)c1cc([N+](=O)[O-])ccc1C)CC2 ZINC000161471728 509119502 /nfs/dbraw/zinc/11/95/02/509119502.db2.gz UDIQOVPGGOGOGR-ZDUSSCGKSA-N 1 0 361.398 2.748 20 5 FFBDRO COC(=O)C1=NOC2(C1)CC[NH+]([C@H](C)c1cc([N+](=O)[O-])ccc1C)CC2 ZINC000161471652 509119692 /nfs/dbraw/zinc/11/96/92/509119692.db2.gz UDIQOVPGGOGOGR-CYBMUJFWSA-N 1 0 361.398 2.748 20 5 FFBDRO COc1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(C)o2)ccc1[N+](=O)[O-] ZINC000161503428 509122655 /nfs/dbraw/zinc/12/26/55/509122655.db2.gz QYRGXOJQNNWFQA-UHFFFAOYSA-N 1 0 361.398 2.709 20 5 FFBDRO C[NH+](C)C1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000161938679 509165423 /nfs/dbraw/zinc/16/54/23/509165423.db2.gz POOYRAXOISILAS-UHFFFAOYSA-N 1 0 356.220 2.524 20 5 FFBDRO Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2ncc[nH]2)c([N+](=O)[O-])c1 ZINC000121429069 509173283 /nfs/dbraw/zinc/17/32/83/509173283.db2.gz YKFBDXUMAAPXFL-LBPRGKRZSA-N 1 0 350.400 2.542 20 5 FFBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(S(N)(=O)=O)cc2)cc1[N+](=O)[O-] ZINC000121516395 509177314 /nfs/dbraw/zinc/17/73/14/509177314.db2.gz YIXQLTYVQKEJOA-STQMWFEESA-N 1 0 363.439 2.962 20 5 FFBDRO C[NH+](C)CCN(Cc1ccco1)c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000162242763 509181559 /nfs/dbraw/zinc/18/15/59/509181559.db2.gz RUXOEBYFFMQFSN-UHFFFAOYSA-N 1 0 358.398 2.641 20 5 FFBDRO COc1cc(C(=O)N2CC[C@@H]3CC[C@H](C2)[N@@H+]3C(C)C)cc([N+](=O)[O-])c1C ZINC000188634499 509183753 /nfs/dbraw/zinc/18/37/53/509183753.db2.gz HBJFISSETCPDQW-JKSUJKDBSA-N 1 0 361.442 2.999 20 5 FFBDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000191798512 509185984 /nfs/dbraw/zinc/18/59/84/509185984.db2.gz YMPHNSBPWMCEEM-UHFFFAOYSA-N 1 0 359.430 2.535 20 5 FFBDRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000263876013 509200820 /nfs/dbraw/zinc/20/08/20/509200820.db2.gz JZHZUIOHTTZHHL-UHFFFAOYSA-N 1 0 356.426 2.907 20 5 FFBDRO C[N@@H+]1CC[C@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)[C@H]1c1ccccc1 ZINC000248029574 509220955 /nfs/dbraw/zinc/22/09/55/509220955.db2.gz KAUABHDMDALFDP-FUHWJXTLSA-N 1 0 365.393 2.646 20 5 FFBDRO COc1ccc(NC(=O)C[NH2+][C@H](C)[C@H]2COc3ccccc32)c([N+](=O)[O-])c1 ZINC000185550193 509233053 /nfs/dbraw/zinc/23/30/53/509233053.db2.gz GNKOUZROTUGCLZ-IUODEOHRSA-N 1 0 371.393 2.696 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCC[C@@H](c4ncc[nH]4)C3)o2)cc1 ZINC000266920024 509258531 /nfs/dbraw/zinc/25/85/31/509258531.db2.gz LPYZYWOJMDGIRM-CYBMUJFWSA-N 1 0 354.370 2.748 20 5 FFBDRO C[C@@H](C[NH3+])N(C)C(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000179185884 509309680 /nfs/dbraw/zinc/30/96/80/509309680.db2.gz ACOQZRBEMHDINQ-STQMWFEESA-N 1 0 357.414 2.582 20 5 FFBDRO C[N@@H+]1CCC[C@H](CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000182657034 509353405 /nfs/dbraw/zinc/35/34/05/509353405.db2.gz OCWWPFLZWSOYFX-LLVKDONJSA-N 1 0 357.863 2.798 20 5 FFBDRO C[N@H+](CCNC(=O)c1cccc([N+](=O)[O-])c1Br)C1CCCC1 ZINC000182662800 509357904 /nfs/dbraw/zinc/35/79/04/509357904.db2.gz OSLRLBWKKJAPQJ-UHFFFAOYSA-N 1 0 370.247 2.962 20 5 FFBDRO COc1cccc2c1CC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000182670306 509361414 /nfs/dbraw/zinc/36/14/14/509361414.db2.gz PEOPBGUEUBNAHX-UHFFFAOYSA-N 1 0 355.394 2.990 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CCCC[C@H]2Cc2ccccc2)c1 ZINC000248565306 509366798 /nfs/dbraw/zinc/36/67/98/509366798.db2.gz OQAYPSMUORSSOE-QXAKKESOSA-N 1 0 358.442 2.543 20 5 FFBDRO C[C@H]([NH2+]CC(=O)N1CCN(c2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000163368206 509368612 /nfs/dbraw/zinc/36/86/12/509368612.db2.gz HGDIDCINLMKWRQ-INIZCTEOSA-N 1 0 368.437 2.594 20 5 FFBDRO C[C@H](CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)[N@@H+]1CCC[C@@H](C)C1 ZINC000227840421 509414701 /nfs/dbraw/zinc/41/47/01/509414701.db2.gz OQDCHXWRUJVNLF-HUUCEWRRSA-N 1 0 371.441 2.631 20 5 FFBDRO CCC[C@H]([NH3+])c1cn(Cc2ccc(Br)cc2[N+](=O)[O-])nn1 ZINC000229958027 509431589 /nfs/dbraw/zinc/43/15/89/509431589.db2.gz CBDJSFMBKZOIJO-NSHDSACASA-N 1 0 354.208 2.797 20 5 FFBDRO Cc1c([C@H](C)[NH2+]CCn2ccc([N+](=O)[O-])n2)cnn1-c1ccc(F)cc1 ZINC000182857209 509461518 /nfs/dbraw/zinc/46/15/18/509461518.db2.gz GEKYIDQYBABZBG-LBPRGKRZSA-N 1 0 358.377 2.775 20 5 FFBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC[C@H]2CCC[NH2+]C2)CC1 ZINC000236666775 509474305 /nfs/dbraw/zinc/47/43/05/509474305.db2.gz JLIGSGWWPQRJLT-HNNXBMFYSA-N 1 0 360.458 2.561 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000173258683 509485645 /nfs/dbraw/zinc/48/56/45/509485645.db2.gz RKUJBHQCFCHVGZ-CABCVRRESA-N 1 0 369.487 2.562 20 5 FFBDRO CCC(CC)(C[NH3+])NC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 ZINC000236797899 509504939 /nfs/dbraw/zinc/50/49/39/509504939.db2.gz CAKAVYRSGCMDCS-UHFFFAOYSA-N 1 0 373.457 2.704 20 5 FFBDRO C[C@H]([NH2+]C[C@@H](O)CN1CCc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000173315878 509526978 /nfs/dbraw/zinc/52/69/78/509526978.db2.gz ONUBAVLLWQOWCN-MGPUTAFESA-N 1 0 355.438 2.665 20 5 FFBDRO Cn1ncc([N+](=O)[O-])c1C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000179592175 509527197 /nfs/dbraw/zinc/52/71/97/509527197.db2.gz BVCKSVKFDBEPKE-UHFFFAOYSA-N 1 0 357.414 2.957 20 5 FFBDRO CN(CC(=O)NCCCCC[NH+]1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000173327649 509533554 /nfs/dbraw/zinc/53/35/54/509533554.db2.gz VBTZRHKTYYSKMW-UHFFFAOYSA-N 1 0 362.474 2.803 20 5 FFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000248945917 509550507 /nfs/dbraw/zinc/55/05/07/509550507.db2.gz ZGWNKOIOHPAFKS-ACJLOTCBSA-N 1 0 354.410 2.549 20 5 FFBDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000189416151 509565329 /nfs/dbraw/zinc/56/53/29/509565329.db2.gz FCTIDOPFZZNQQM-AWEZNQCLSA-N 1 0 374.441 2.527 20 5 FFBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000166302456 509601207 /nfs/dbraw/zinc/60/12/07/509601207.db2.gz DEFYQCXMVBQNJN-UHFFFAOYSA-N 1 0 369.487 2.646 20 5 FFBDRO C[C@@H](Nc1ccc(C(=O)N2CCC[C@H]2C[NH3+])cc1[N+](=O)[O-])c1ccccn1 ZINC000237373050 509633234 /nfs/dbraw/zinc/63/32/34/509633234.db2.gz QRZHSYWOOXEBDE-HIFRSBDPSA-N 1 0 369.425 2.726 20 5 FFBDRO CC(C)C[C@@H]1OCCC[C@H]1[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000186326291 509649262 /nfs/dbraw/zinc/64/92/62/509649262.db2.gz PEMLGSRFTKBDEB-JQHSSLGASA-N 1 0 352.431 2.518 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000237515628 509666809 /nfs/dbraw/zinc/66/68/09/509666809.db2.gz ROZHGLSVHYUDEP-SUNKGSAMSA-N 1 0 355.822 2.601 20 5 FFBDRO CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000249417700 509675730 /nfs/dbraw/zinc/67/57/30/509675730.db2.gz GSOOLZTUMNWFBF-VKJFTORMSA-N 1 0 352.431 2.518 20 5 FFBDRO C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])s1)[C@H](c1ccccc1)[NH+](C)C ZINC000192865756 509677503 /nfs/dbraw/zinc/67/75/03/509677503.db2.gz FYYQEGNUTUDYII-IAQYHMDHSA-N 1 0 369.468 2.626 20 5 FFBDRO C[N@H+](Cc1ccccc1)[C@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)C1CC1 ZINC000186415831 509699283 /nfs/dbraw/zinc/69/92/83/509699283.db2.gz ZKRGZZWZHMPFGB-MRXNPFEDSA-N 1 0 366.425 2.960 20 5 FFBDRO C[C@H]1CCCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])[C@H]1C[NH3+] ZINC000237689846 509712655 /nfs/dbraw/zinc/71/26/55/509712655.db2.gz JKLNSCLVTNNYLR-FZMZJTMJSA-N 1 0 355.822 2.603 20 5 FFBDRO Cc1n[nH]c(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1[N+](=O)[O-] ZINC000264834166 509731899 /nfs/dbraw/zinc/73/18/99/509731899.db2.gz ZTYQTJNRFBGUGB-MQVJKMGUSA-N 1 0 369.425 2.552 20 5 FFBDRO CC(C)[NH2+]C1CCN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000268089425 509750092 /nfs/dbraw/zinc/75/00/92/509750092.db2.gz ATBXWENIUXHARO-UHFFFAOYSA-N 1 0 354.838 2.920 20 5 FFBDRO O=C(c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)N1CCC[NH2+]CC1 ZINC000237873548 509759525 /nfs/dbraw/zinc/75/95/25/509759525.db2.gz ASGRTHZNSXTLLV-UHFFFAOYSA-N 1 0 354.410 2.642 20 5 FFBDRO CC[NH+](CC)[C@H]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000173843800 509812071 /nfs/dbraw/zinc/81/20/71/509812071.db2.gz UZYSPZQPDZXUST-ZDUSSCGKSA-N 1 0 354.838 2.603 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000173844014 509812105 /nfs/dbraw/zinc/81/21/05/509812105.db2.gz AUYWVCMDJLLMQA-CABCVRRESA-N 1 0 367.471 2.539 20 5 FFBDRO CCCC[NH+]1CCC(NS(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])CC1 ZINC000189901640 509819056 /nfs/dbraw/zinc/81/90/56/509819056.db2.gz DJPZPQVJSFAMJA-UHFFFAOYSA-N 1 0 369.487 2.754 20 5 FFBDRO O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)Nc1ccncc1[N+](=O)[O-] ZINC000183566305 509865734 /nfs/dbraw/zinc/86/57/34/509865734.db2.gz XHMVOKLPOYRELK-MRXNPFEDSA-N 1 0 369.425 2.676 20 5 FFBDRO CC[NH+](CC)CCCC1CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000186719097 509869557 /nfs/dbraw/zinc/86/95/57/509869557.db2.gz FYZYWGIQLZHOIH-UHFFFAOYSA-N 1 0 363.462 2.546 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC(OCC[NH+]3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000173998971 509896874 /nfs/dbraw/zinc/89/68/74/509896874.db2.gz ZOVPSTSZEKCFET-UHFFFAOYSA-N 1 0 364.402 2.584 20 5 FFBDRO CC(C)[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1Cl ZINC000183704241 509936549 /nfs/dbraw/zinc/93/65/49/509936549.db2.gz QCRHAQLZYWQWSZ-CZUORRHYSA-N 1 0 352.822 2.793 20 5 FFBDRO C[C@H]1C[C@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC000177207988 509937817 /nfs/dbraw/zinc/93/78/17/509937817.db2.gz NWMUOXNEWGHTPX-ZFWWWQNUSA-N 1 0 358.442 2.550 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000174124470 509958559 /nfs/dbraw/zinc/95/85/59/509958559.db2.gz LONAAWQMMWUVEG-AWEZNQCLSA-N 1 0 362.430 2.989 20 5 FFBDRO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)c([N+](=O)[O-])c1 ZINC000193585088 509977671 /nfs/dbraw/zinc/97/76/71/509977671.db2.gz MOGOKJBQMNDMJE-ZDUSSCGKSA-N 1 0 373.413 2.535 20 5 FFBDRO COC(=O)c1cnc(NC[C@H](C2CCCCC2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000190167650 509982270 /nfs/dbraw/zinc/98/22/70/509982270.db2.gz MPLZFWVPGYOCJF-OAHLLOKOSA-N 1 0 350.419 2.699 20 5 FFBDRO CC[NH+](CC)[C@@H](CNc1ncc(C(=O)OC)cc1[N+](=O)[O-])c1ccco1 ZINC000190170352 509983311 /nfs/dbraw/zinc/98/33/11/509983311.db2.gz BDKKXPLHOSMVFU-AWEZNQCLSA-N 1 0 362.386 2.864 20 5 FFBDRO Cc1c(C(=O)N(C)CC2([NH+](C)C)CCC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000186990788 509991467 /nfs/dbraw/zinc/99/14/67/509991467.db2.gz PDYWSAVGXYBLSD-UHFFFAOYSA-N 1 0 364.402 2.676 20 5 FFBDRO CC(C)c1ccc(C(=O)NCCCC[N@@H+]2CCC[C@H]2CO)cc1[N+](=O)[O-] ZINC000190211328 510007217 /nfs/dbraw/zinc/00/72/17/510007217.db2.gz AUXAGGGJHYGFOS-INIZCTEOSA-N 1 0 363.458 2.685 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000183860713 510011319 /nfs/dbraw/zinc/01/13/19/510011319.db2.gz QZWLXKCRVFMPGV-UHFFFAOYSA-N 1 0 350.419 2.847 20 5 FFBDRO CC[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 ZINC000180616001 510014863 /nfs/dbraw/zinc/01/48/63/510014863.db2.gz OPOQKWCIKPFUMH-HNNXBMFYSA-N 1 0 371.393 2.706 20 5 FFBDRO Cc1c(NC(=O)CCN(CC[NH3+])CCc2ccccc2)cccc1[N+](=O)[O-] ZINC000261660407 510016635 /nfs/dbraw/zinc/01/66/35/510016635.db2.gz AXSRAWKOLUZMEQ-UHFFFAOYSA-N 1 0 370.453 2.735 20 5 FFBDRO O=[N+]([O-])c1cc(Br)ccc1NC[C@H](O)C[NH+]1CCCCC1 ZINC000171232644 510024655 /nfs/dbraw/zinc/02/46/55/510024655.db2.gz VCPRFDPZYQEERD-LBPRGKRZSA-N 1 0 358.236 2.616 20 5 FFBDRO C[C@@H](C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000171235674 510026574 /nfs/dbraw/zinc/02/65/74/510026574.db2.gz QMVYGVSLYOPTKB-OAGGEKHMSA-N 1 0 360.458 2.505 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(CC[NH3+])CCc1ccccc1 ZINC000261702077 510032783 /nfs/dbraw/zinc/03/27/83/510032783.db2.gz GIIZGNVHEUQNAE-UHFFFAOYSA-N 1 0 370.453 2.735 20 5 FFBDRO COC(=O)[C@@H](O)C1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000180670703 510046970 /nfs/dbraw/zinc/04/69/70/510046970.db2.gz CBRPZZDSDLFDJL-SFHVURJKSA-N 1 0 374.393 2.601 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[NH2+]C[C@@H]1c1cccc(F)c1 ZINC000261771077 510058583 /nfs/dbraw/zinc/05/85/83/510058583.db2.gz OSBWZFXJJWVNOX-GOSISDBHSA-N 1 0 372.400 2.627 20 5 FFBDRO Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000180716224 510069284 /nfs/dbraw/zinc/06/92/84/510069284.db2.gz INQSIQIMXYJBCZ-INIZCTEOSA-N 1 0 368.437 2.962 20 5 FFBDRO CCCc1n[nH]c(C(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000174411698 510101783 /nfs/dbraw/zinc/10/17/83/510101783.db2.gz KXXJYULOXDTIDE-CQSZACIVSA-N 1 0 373.457 2.911 20 5 FFBDRO COc1cc(C[NH2+]C[C@@](C)(O)c2cc(C)oc2C)c([N+](=O)[O-])cc1O ZINC000174441448 510116945 /nfs/dbraw/zinc/11/69/45/510116945.db2.gz BAKQFONDHMLNDT-QGZVFWFLSA-N 1 0 350.371 2.516 20 5 FFBDRO O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC2(CC[NH2+]C2)CC1 ZINC000261925237 510118587 /nfs/dbraw/zinc/11/85/87/510118587.db2.gz ZGBZRAWWLFBWGW-UHFFFAOYSA-N 1 0 372.450 2.934 20 5 FFBDRO CCOc1cc(C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)c([N+](=O)[O-])cc1OC ZINC000177555658 510132299 /nfs/dbraw/zinc/13/22/99/510132299.db2.gz CSQJQDFRBUQTNO-STQMWFEESA-N 1 0 365.430 2.605 20 5 FFBDRO C[C@@H]1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000180831063 510133461 /nfs/dbraw/zinc/13/34/61/510133461.db2.gz OVXVTKDMEQYJNR-OAHLLOKOSA-N 1 0 368.437 2.914 20 5 FFBDRO C[NH2+]CCC1CCN(C(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000261990940 510141405 /nfs/dbraw/zinc/14/14/05/510141405.db2.gz DXOGECBHJPMJOV-UHFFFAOYSA-N 1 0 367.471 2.787 20 5 FFBDRO C[C@@H](c1cccnc1)N1CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000193959337 510148344 /nfs/dbraw/zinc/14/83/44/510148344.db2.gz PKJODXAUNGTOFF-AWEZNQCLSA-N 1 0 371.397 2.777 20 5 FFBDRO CCc1ccc([C@@H]2C[NH2+]CCN2C(=O)c2ccc([N+](=O)[O-])c(OC)c2)cc1 ZINC000262073580 510168914 /nfs/dbraw/zinc/16/89/14/510168914.db2.gz XADXRNRUDSVJAI-SFHVURJKSA-N 1 0 369.421 2.953 20 5 FFBDRO O=C(NCc1ccccc1[N+](=O)[O-])NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000194000653 510169342 /nfs/dbraw/zinc/16/93/42/510169342.db2.gz HMUZJVNRKHJTDO-QGZVFWFLSA-N 1 0 368.437 2.916 20 5 FFBDRO C[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)CC1(O)CCCCCC1 ZINC000187359370 510216721 /nfs/dbraw/zinc/21/67/21/510216721.db2.gz GLGFVNRYRODLDK-UHFFFAOYSA-N 1 0 361.442 2.501 20 5 FFBDRO C[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)[C@@H]1CCC[NH2+]C1 ZINC000269171001 510270844 /nfs/dbraw/zinc/27/08/44/510270844.db2.gz FKXBNHQLKQEXFV-DTWKUNHWSA-N 1 0 374.210 2.614 20 5 FFBDRO CCOCC[NH+]1CCN(c2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000174734540 510279190 /nfs/dbraw/zinc/27/91/90/510279190.db2.gz CSQWYNNDSVAHHH-UHFFFAOYSA-N 1 0 371.441 2.519 20 5 FFBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NCC[C@H]2CC[NH2+]C2)CC1 ZINC000269190877 510282235 /nfs/dbraw/zinc/28/22/35/510282235.db2.gz XIKWBBVEDDULGF-OAHLLOKOSA-N 1 0 360.458 2.561 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@@H]2c2cccc(Cl)c2)c1 ZINC000174738459 510283491 /nfs/dbraw/zinc/28/34/91/510283491.db2.gz RYFKKCFKKGWBLO-JKSUJKDBSA-N 1 0 350.806 2.643 20 5 FFBDRO COc1cc(C(=O)NCC[NH2+]C2CCCCCC2)cc([N+](=O)[O-])c1OC ZINC000269194053 510284621 /nfs/dbraw/zinc/28/46/21/510284621.db2.gz NWTRSWUWPKGHAJ-UHFFFAOYSA-N 1 0 365.430 2.654 20 5 FFBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000269196430 510286055 /nfs/dbraw/zinc/28/60/55/510286055.db2.gz VGKYMIOJNIUDLL-KCJUWKMLSA-N 1 0 374.210 2.838 20 5 FFBDRO CC[NH2+][C@H](C)CNC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000262490540 510297674 /nfs/dbraw/zinc/29/76/74/510297674.db2.gz UVAAIORNDFGKLR-KGLIPLIRSA-N 1 0 371.441 2.891 20 5 FFBDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 ZINC000269284253 510322835 /nfs/dbraw/zinc/32/28/35/510322835.db2.gz RVBRDERGZIHIQC-IUCAKERBSA-N 1 0 374.210 2.696 20 5 FFBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N[C@H]3CCC[C@@H]3C[NH3+])cc2[N+](=O)[O-])C1 ZINC000262629811 510342800 /nfs/dbraw/zinc/34/28/00/510342800.db2.gz NBNDHUGMPLLITB-WTTBNOFXSA-N 1 0 374.485 2.934 20 5 FFBDRO Cc1cc(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)cc([N+](=O)[O-])c1 ZINC000194424549 510358071 /nfs/dbraw/zinc/35/80/71/510358071.db2.gz PNRWEHVYXHTOFY-UHFFFAOYSA-N 1 0 354.410 2.693 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000194460315 510375682 /nfs/dbraw/zinc/37/56/82/510375682.db2.gz WGHJZZGMLPNRLR-UHFFFAOYSA-N 1 0 354.410 2.693 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N[C@@H]3CC[NH2+]C[C@H]3C)cc2[N+](=O)[O-])CC1 ZINC000262706754 510378631 /nfs/dbraw/zinc/37/86/31/510378631.db2.gz BQNUTFXLCSHYRP-GDBMZVCRSA-N 1 0 360.458 2.559 20 5 FFBDRO Cc1c(C(=O)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)cn2)cccc1[N+](=O)[O-] ZINC000269404953 510387601 /nfs/dbraw/zinc/38/76/01/510387601.db2.gz FCTDGBCEDNHMAP-OAHLLOKOSA-N 1 0 369.425 2.691 20 5 FFBDRO CC(C)c1n[nH]c(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000269428959 510402372 /nfs/dbraw/zinc/40/23/72/510402372.db2.gz ZFGNNRCSTMSZOY-OAHLLOKOSA-N 1 0 371.441 2.836 20 5 FFBDRO Cc1ccc([C@@H](O)C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)o1 ZINC000266096302 510406200 /nfs/dbraw/zinc/40/62/00/510406200.db2.gz ZPTSXKNQOGDVST-INIZCTEOSA-N 1 0 356.382 2.720 20 5 FFBDRO C[C@@]1(c2ccccc2)CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000246293102 510411987 /nfs/dbraw/zinc/41/19/87/510411987.db2.gz BOHMKCDIHHPFNX-QUCCMNQESA-N 1 0 372.421 2.582 20 5 FFBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000246324620 510425918 /nfs/dbraw/zinc/42/59/18/510425918.db2.gz NEDLHSYWAYDNOL-CRAIPNDOSA-N 1 0 362.474 2.899 20 5 FFBDRO CC(C)[C@H](CNc1ccc2cc([N+](=O)[O-])ccc2n1)[NH+]1CCN(C)CC1 ZINC000266138480 510429138 /nfs/dbraw/zinc/42/91/38/510429138.db2.gz GGEYHUYOVVJFTC-SFHVURJKSA-N 1 0 357.458 2.827 20 5 FFBDRO C[C@H]1[NH2+]CCN(C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@@H]1C ZINC000262853255 510440600 /nfs/dbraw/zinc/44/06/00/510440600.db2.gz SOXIUGINGCRYAM-GHMZBOCLSA-N 1 0 374.363 2.624 20 5 FFBDRO Nc1c(C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000178155050 510461570 /nfs/dbraw/zinc/46/15/70/510461570.db2.gz ZHLMLBONVYCLIR-UHFFFAOYSA-N 1 0 354.410 2.525 20 5 FFBDRO CC[C@H]([NH2+]CC(=O)NC(=O)NC1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000181552809 510468983 /nfs/dbraw/zinc/46/89/83/510468983.db2.gz QSRYPBMKPWGROH-INIZCTEOSA-N 1 0 362.430 2.794 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000181566549 510476712 /nfs/dbraw/zinc/47/67/12/510476712.db2.gz PHWOIAULMWPSTL-QWHCGFSZSA-N 1 0 363.439 2.962 20 5 FFBDRO COc1cccc(C(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000194828830 510548720 /nfs/dbraw/zinc/54/87/20/510548720.db2.gz LYSUGRZAOBOVFU-CQSZACIVSA-N 1 0 357.410 2.854 20 5 FFBDRO C[NH+](C)Cc1cc(CNC(=O)NCc2cccc([N+](=O)[O-])c2)ccc1F ZINC000172144186 510566578 /nfs/dbraw/zinc/56/65/78/510566578.db2.gz ZXJOUCFQEGQWIB-UHFFFAOYSA-N 1 0 360.389 2.795 20 5 FFBDRO O=C(CNc1ccccc1[N+](=O)[O-])NCc1cccc(C[NH+]2CCCC2)c1 ZINC000194915440 510588255 /nfs/dbraw/zinc/58/82/55/510588255.db2.gz QYEQSLOBJXXVND-UHFFFAOYSA-N 1 0 368.437 2.919 20 5 FFBDRO C[NH+](C)CC[C@H](NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C(C)(C)C ZINC000172267195 510640067 /nfs/dbraw/zinc/64/00/67/510640067.db2.gz DNYACJVPUAWAFJ-KRWDZBQOSA-N 1 0 373.457 2.877 20 5 FFBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000246742440 510646728 /nfs/dbraw/zinc/64/67/28/510646728.db2.gz IPNVHXXLZHDRDH-DOTOQJQBSA-N 1 0 363.458 2.770 20 5 FFBDRO COc1cc(C(=O)NCc2cn3cccc(C)c3n2)cc([N+](=O)[O-])c1C ZINC000191468507 510675295 /nfs/dbraw/zinc/67/52/95/510675295.db2.gz OTEHZWLZHMHUQO-UHFFFAOYSA-N 1 0 354.366 2.798 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C2(c3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000266621819 510693099 /nfs/dbraw/zinc/69/30/99/510693099.db2.gz FWDZSSJSVJLTPH-LBPRGKRZSA-N 1 0 371.224 2.738 20 5 FFBDRO C[NH+]1CCC([C@H]2CCN(c3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)C2)CC1 ZINC000270185820 510708212 /nfs/dbraw/zinc/70/82/12/510708212.db2.gz NSZNRIDUMCNLQN-HNNXBMFYSA-N 1 0 358.442 2.648 20 5 FFBDRO CC[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](C)c1cc2ccccc2o1 ZINC000246850070 510709255 /nfs/dbraw/zinc/70/92/55/510709255.db2.gz ZTXWGCZHPKVOAW-CZUORRHYSA-N 1 0 358.398 2.982 20 5 FFBDRO COCC[N@@H+]1CCCN(c2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000270207543 510716278 /nfs/dbraw/zinc/71/62/78/510716278.db2.gz KWRHTRJYVOBELW-UHFFFAOYSA-N 1 0 371.441 2.519 20 5 FFBDRO Cc1ccccc1C[C@@H](CO)[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000191567166 510725921 /nfs/dbraw/zinc/72/59/21/510725921.db2.gz MUFVALKWEARULY-YJBOKZPZSA-N 1 0 371.437 2.814 20 5 FFBDRO O=[N+]([O-])c1cc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c2c(c1)COCO2 ZINC000246909293 510739852 /nfs/dbraw/zinc/73/98/52/510739852.db2.gz RWUUKLLOYOKVMT-IFXJQAMLSA-N 1 0 373.453 2.910 20 5 FFBDRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000182075734 510743360 /nfs/dbraw/zinc/74/33/60/510743360.db2.gz YDVPZAWPWDUDRK-OAHLLOKOSA-N 1 0 357.410 2.610 20 5 FFBDRO Cc1cc(N2CCC[C@H]([N@H+](C)CC(=O)[O-])CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000263564718 510750975 /nfs/dbraw/zinc/75/09/75/510750975.db2.gz VBQRZISTLPRSOV-AWEZNQCLSA-N 1 0 372.425 2.827 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000246929080 510751572 /nfs/dbraw/zinc/75/15/72/510751572.db2.gz HBMUIVKYJVSING-ZFWWWQNUSA-N 1 0 369.487 2.562 20 5 FFBDRO O=C(C[C@@H]1CN(Cc2ccccc2)CCO1)NCc1cccc([N+](=O)[O-])c1 ZINC000175749361 510769915 /nfs/dbraw/zinc/76/99/15/510769915.db2.gz SLALJMKNPADOAE-LJQANCHMSA-N 1 0 369.421 2.502 20 5 FFBDRO C[NH+](C)CCN(Cc1ccco1)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000270356232 510774340 /nfs/dbraw/zinc/77/43/40/510774340.db2.gz ASGKGBIDYQXFSV-UHFFFAOYSA-N 1 0 360.414 2.504 20 5 FFBDRO Cc1cnc([C@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C2CC2)s1 ZINC000185269470 510782192 /nfs/dbraw/zinc/78/21/92/510782192.db2.gz KCLXMAXAROGRFZ-GOEBONIOSA-N 1 0 363.439 2.840 20 5 FFBDRO CCC[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C[C@H]1CCCCO1 ZINC000182156995 510785960 /nfs/dbraw/zinc/78/59/60/510785960.db2.gz HKDMMOJWTYNQEY-JKSUJKDBSA-N 1 0 352.431 2.616 20 5 FFBDRO COC(=O)[C@H]1CCCC[C@@]1(C)[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000270434291 510807768 /nfs/dbraw/zinc/80/77/68/510807768.db2.gz JUFHNQVNPFHOAT-RDTXWAMCSA-N 1 0 374.397 2.856 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@H](Nc3ccccc3)C2)c1 ZINC000247032423 510809681 /nfs/dbraw/zinc/80/96/81/510809681.db2.gz ZVUUJJYWPSQMHX-PKOBYXMFSA-N 1 0 371.437 2.911 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000191766995 510820963 /nfs/dbraw/zinc/82/09/63/510820963.db2.gz YJHGHUZSIIGEMA-GOSISDBHSA-N 1 0 357.385 2.933 20 5 FFBDRO CC(C)[N@H+](CCc1nccs1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182250119 510833833 /nfs/dbraw/zinc/83/38/33/510833833.db2.gz AQOMBOJFAPGEJB-AWEZNQCLSA-N 1 0 365.455 2.744 20 5 FFBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000247113463 510837393 /nfs/dbraw/zinc/83/73/93/510837393.db2.gz LRPCHFGOGCROIL-MAUKXSAKSA-N 1 0 360.458 2.730 20 5 FFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000247267782 510854910 /nfs/dbraw/zinc/85/49/10/510854910.db2.gz FIQCKGSRMPODET-DVOMOZLQSA-N 1 0 351.472 2.874 20 5 FFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000361035448 510984107 /nfs/dbraw/zinc/98/41/07/510984107.db2.gz ZQBGNAVEJWZFSK-LIRRHRJNSA-N 1 0 368.437 2.939 20 5 FFBDRO NC(=O)CCC1CC[NH+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000271001545 511052929 /nfs/dbraw/zinc/05/29/29/511052929.db2.gz CRQKCBHQAJBXGZ-UHFFFAOYSA-N 1 0 358.398 2.727 20 5 FFBDRO COc1cc(C(=O)NCCC[NH+]2CCCCCC2)c([N+](=O)[O-])cc1F ZINC000294544214 511098961 /nfs/dbraw/zinc/09/89/61/511098961.db2.gz VJLOEWHUPGOGOY-UHFFFAOYSA-N 1 0 353.394 2.738 20 5 FFBDRO CC1CC[NH+](Cc2ccc(NC(=O)c3nn(C)cc3[N+](=O)[O-])cc2)CC1 ZINC000271161092 511103473 /nfs/dbraw/zinc/10/34/73/511103473.db2.gz WGNPTEQEDJFWFL-UHFFFAOYSA-N 1 0 357.414 2.813 20 5 FFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](O)C1CCOCC1 ZINC000271430674 511202926 /nfs/dbraw/zinc/20/29/26/511202926.db2.gz BXLGIQUWBFVHJJ-ZBFHGGJFSA-N 1 0 354.472 2.843 20 5 FFBDRO CCOC(=O)c1cnn(C2CCN(Cc3csc([N+](=O)[O-])c3)CC2)c1 ZINC000294884479 511209675 /nfs/dbraw/zinc/20/96/75/511209675.db2.gz VWPYYNNGBAPXPS-UHFFFAOYSA-N 1 0 364.427 2.867 20 5 FFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000294907171 511217046 /nfs/dbraw/zinc/21/70/46/511217046.db2.gz JZLLULLEYGOGHT-ZBFHGGJFSA-N 1 0 369.425 2.684 20 5 FFBDRO CS(=O)(=O)CC1CCC([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000294914374 511220514 /nfs/dbraw/zinc/22/05/14/511220514.db2.gz WRYNIFUHWXXSBF-UHFFFAOYSA-N 1 0 360.863 2.941 20 5 FFBDRO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](C3CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000362776418 511236165 /nfs/dbraw/zinc/23/61/65/511236165.db2.gz UZUNJGCMPSLDGW-GDBMZVCRSA-N 1 0 361.442 2.979 20 5 FFBDRO C[NH+](C)CCC1CCN(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000294970091 511239800 /nfs/dbraw/zinc/23/98/00/511239800.db2.gz QKOGEJFKAOGCLI-UHFFFAOYSA-N 1 0 361.442 2.748 20 5 FFBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)c2cccc(S(N)(=O)=O)c2)cc1[N+](=O)[O-] ZINC000271697301 511290215 /nfs/dbraw/zinc/29/02/15/511290215.db2.gz LBNRRTJCLDJSSJ-OLZOCXBDSA-N 1 0 363.439 2.962 20 5 FFBDRO COc1ccccc1COC[C@H](O)C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000271727459 511301619 /nfs/dbraw/zinc/30/16/19/511301619.db2.gz MIEPPAYUKWBYEN-GOEBONIOSA-N 1 0 360.410 2.832 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)c1 ZINC000291726407 511313227 /nfs/dbraw/zinc/31/32/27/511313227.db2.gz HXIJLSLYPDYSSF-KBXCAEBGSA-N 1 0 369.421 2.996 20 5 FFBDRO CCOC(=O)[C@H](C)[C@H](C)[NH2+][C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000283319752 511320407 /nfs/dbraw/zinc/32/04/07/511320407.db2.gz ZOIPDKNZJYOJNT-OUAUKWLOSA-N 1 0 371.821 2.753 20 5 FFBDRO CCOc1ccc(NC(=O)C[NH2+][C@H](CCO)c2ccccc2)c([N+](=O)[O-])c1 ZINC000271824312 511338002 /nfs/dbraw/zinc/33/80/02/511338002.db2.gz WDLBIRBTORONII-MRXNPFEDSA-N 1 0 373.409 2.645 20 5 FFBDRO CC[C@H](C)[NH+]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000295285325 511348530 /nfs/dbraw/zinc/34/85/30/511348530.db2.gz BQGUPBMPQRIMOJ-LBPRGKRZSA-N 1 0 354.838 2.603 20 5 FFBDRO Nc1ccc(NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000283757189 511489804 /nfs/dbraw/zinc/48/98/04/511489804.db2.gz MFLLCDXVKQEGBO-QGZVFWFLSA-N 1 0 356.426 2.746 20 5 FFBDRO COC(=O)[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@H]1c1ccc(O)cc1 ZINC000296119895 511625599 /nfs/dbraw/zinc/62/55/99/511625599.db2.gz SYSCMUZUEMLKKB-ZWKOTPCHSA-N 1 0 356.378 2.689 20 5 FFBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@@H](OCc2ccncc2)C1 ZINC000280951460 511663952 /nfs/dbraw/zinc/66/39/52/511663952.db2.gz IVEPHAMBGSWYJI-GDBMZVCRSA-N 1 0 370.409 2.608 20 5 FFBDRO Cc1c(NC(=O)CC[N@H+](CCCO)Cc2ccccn2)cccc1[N+](=O)[O-] ZINC000281006865 511686486 /nfs/dbraw/zinc/68/64/86/511686486.db2.gz NCRMWIJUUZKKMM-UHFFFAOYSA-N 1 0 372.425 2.511 20 5 FFBDRO CN1CC[C@@H]([NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000284360812 511697024 /nfs/dbraw/zinc/69/70/24/511697024.db2.gz SVBKZABFYABFFC-VQIMIIECSA-N 1 0 354.410 2.568 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H](c2ccco2)[NH+]2CCCC2)n1 ZINC000281052982 511703035 /nfs/dbraw/zinc/70/30/35/511703035.db2.gz XNASDZBRBAPOGI-AWEZNQCLSA-N 1 0 360.370 2.618 20 5 FFBDRO C[C@H](C(=O)N1[C@@H](C)CCC[C@@H]1C)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365888374 511711171 /nfs/dbraw/zinc/71/11/71/511711171.db2.gz WYPQNXQJYVNCLC-SOUVJXGZSA-N 1 0 363.462 2.606 20 5 FFBDRO Cc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)[NH+]2CCCC2)cc1 ZINC000302997229 511722830 /nfs/dbraw/zinc/72/28/30/511722830.db2.gz GUHWTZIIHHJLFP-QGZVFWFLSA-N 1 0 370.409 2.571 20 5 FFBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C1 ZINC000296450731 511747846 /nfs/dbraw/zinc/74/78/46/511747846.db2.gz IQIPVKGUXWYONM-KBXCAEBGSA-N 1 0 369.425 2.541 20 5 FFBDRO COc1cc(-c2nc([C@H]3C[N@@H+]4CCC[C@]4(C)CO3)no2)ccc1[N+](=O)[O-] ZINC000350340287 511783679 /nfs/dbraw/zinc/78/36/79/511783679.db2.gz NTDZWVMAGYVCNX-RHSMWYFYSA-N 1 0 360.370 2.579 20 5 FFBDRO C[N@@H+]1CC[C@@H]2OCCN(Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)[C@@H]2C1 ZINC000284634918 511804411 /nfs/dbraw/zinc/80/44/11/511804411.db2.gz NNJKFACVQCNCDF-MJGOQNOKSA-N 1 0 357.410 2.760 20 5 FFBDRO COCc1cccc(CNC(=O)C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000296747646 511880654 /nfs/dbraw/zinc/88/06/54/511880654.db2.gz PLPNURVHBFRWDX-AWEZNQCLSA-N 1 0 357.410 2.708 20 5 FFBDRO CC[C@@H](C)[NH+]1CCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000296755932 511883924 /nfs/dbraw/zinc/88/39/24/511883924.db2.gz BMGADVUWPPTRJX-MRXNPFEDSA-N 1 0 374.485 2.754 20 5 FFBDRO O=[N+]([O-])c1ccc2[nH]cc(Cc3noc([C@@H]4CCn5cncc5C4)n3)c2c1 ZINC000363994425 511893474 /nfs/dbraw/zinc/89/34/74/511893474.db2.gz NIOVMOHHTXZKPN-LLVKDONJSA-N 1 0 364.365 2.976 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000296827160 511912461 /nfs/dbraw/zinc/91/24/61/511912461.db2.gz AYRGDRCUXISQJL-CVEARBPZSA-N 1 0 357.385 2.999 20 5 FFBDRO NC(=O)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H](O)c2ccccc2)c([N+](=O)[O-])c1 ZINC000364053269 511931791 /nfs/dbraw/zinc/93/17/91/511931791.db2.gz GRIDTLDJXYXCTE-MJGOQNOKSA-N 1 0 369.421 2.782 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)c1 ZINC000296878803 511933359 /nfs/dbraw/zinc/93/33/59/511933359.db2.gz FJVLZMUENSCMOQ-RDJZCZTQSA-N 1 0 357.385 2.999 20 5 FFBDRO C[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)cn1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284985862 511957644 /nfs/dbraw/zinc/95/76/44/511957644.db2.gz GHDVTXUSDOLILN-CZUORRHYSA-N 1 0 370.457 2.885 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)[NH2+]Cc2cc(F)cc(Cl)c2)cc1 ZINC000274949089 511996366 /nfs/dbraw/zinc/99/63/66/511996366.db2.gz DFHCFRPVALQFRQ-HZPDHXFCSA-N 1 0 354.765 2.571 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000281912239 512008748 /nfs/dbraw/zinc/00/87/48/512008748.db2.gz JACLQGLKSQJNNC-CZUORRHYSA-N 1 0 362.430 2.942 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000297183738 512050902 /nfs/dbraw/zinc/05/09/02/512050902.db2.gz LJVLFFQAUZIUTP-ROUUACIJSA-N 1 0 357.385 2.999 20 5 FFBDRO COc1ccc([C@@H]2CCN(C(=O)c3ccccc3[N+](=O)[O-])C[C@@H]2[NH3+])cc1F ZINC000297186218 512052435 /nfs/dbraw/zinc/05/24/35/512052435.db2.gz LLGKGCAZJNWPMJ-BBRMVZONSA-N 1 0 373.384 2.700 20 5 FFBDRO Cc1c(NC(=O)[C@H](C)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000375784131 512505538 /nfs/dbraw/zinc/50/55/38/512505538.db2.gz GTNLCDAHAVPPOF-CWRNSKLLSA-N 1 0 360.458 2.789 20 5 FFBDRO O=C1NCCN1[C@@H]1CCC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000367478709 512522222 /nfs/dbraw/zinc/52/22/22/512522222.db2.gz MTXDWRGNSYHHAO-MRXNPFEDSA-N 1 0 370.409 2.844 20 5 FFBDRO COC(=O)[C@@H]1CCCC[C@]1(C)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411404170 512618984 /nfs/dbraw/zinc/61/89/84/512618984.db2.gz DOVGYRBZBLULRK-YJBOKZPZSA-N 1 0 363.414 2.635 20 5 FFBDRO COC(=O)[C@@H]1C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1c1ccccc1 ZINC000374169574 512689598 /nfs/dbraw/zinc/68/95/98/512689598.db2.gz DEMGKYZKKXCPBN-IPMKNSEASA-N 1 0 370.405 2.517 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)c1F ZINC000411606232 512715237 /nfs/dbraw/zinc/71/52/37/512715237.db2.gz QPIDEKGZICAASE-STQMWFEESA-N 1 0 367.421 2.522 20 5 FFBDRO C[C@@H]1CN(c2c(Cl)cccc2[N+](=O)[O-])CC[C@H]1[NH+]1CCN(C)CC1 ZINC000367927331 512727340 /nfs/dbraw/zinc/72/73/40/512727340.db2.gz PRDDMGXSZZHIPW-UKRRQHHQSA-N 1 0 352.866 2.710 20 5 FFBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000372330088 512818555 /nfs/dbraw/zinc/81/85/55/512818555.db2.gz DRZXIVZSRBBWNB-CRAIPNDOSA-N 1 0 358.442 2.896 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000374413939 512821636 /nfs/dbraw/zinc/82/16/36/512821636.db2.gz YMQQJDMQQFEOQI-BMFZPTHFSA-N 1 0 367.833 2.572 20 5 FFBDRO Cn1ccnc1[C@H](N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000378563069 512825610 /nfs/dbraw/zinc/82/56/10/512825610.db2.gz RPNPHXGVQGCEDT-BPQIPLTHSA-N 1 0 355.442 2.634 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000376484148 512838472 /nfs/dbraw/zinc/83/84/72/512838472.db2.gz KWIFJVROMBYHID-UHFFFAOYSA-N 1 0 357.414 2.835 20 5 FFBDRO Cc1c(NC(=O)CC[NH+]2CCC([C@H]3CCOC3)CC2)cccc1[N+](=O)[O-] ZINC000378653126 512866508 /nfs/dbraw/zinc/86/65/08/512866508.db2.gz WOIWGFRUSVBNTB-INIZCTEOSA-N 1 0 361.442 2.980 20 5 FFBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@@]3(CCOC3)C2)cc1[N+](=O)[O-] ZINC000374525498 512873918 /nfs/dbraw/zinc/87/39/18/512873918.db2.gz CDNHYLFEAWUQDE-JOQOYGCGSA-N 1 0 350.415 2.982 20 5 FFBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N[C@H]2CCC[NH2+]CC2)CC1 ZINC000372438429 512874732 /nfs/dbraw/zinc/87/47/32/512874732.db2.gz PRQUBNHQQOUCJJ-HNNXBMFYSA-N 1 0 360.458 2.703 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N[C@H]3CC34CC[NH2+]CC4)cc2[N+](=O)[O-])CC1 ZINC000368377755 512920674 /nfs/dbraw/zinc/92/06/74/512920674.db2.gz NZDSYVFALRDYDL-SFHVURJKSA-N 1 0 372.469 2.703 20 5 FFBDRO CC(C)(C)OC(=O)CC[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000412060132 512936882 /nfs/dbraw/zinc/93/68/82/512936882.db2.gz DZBYMHPXGHJUJK-AWEZNQCLSA-N 1 0 352.435 2.625 20 5 FFBDRO C[C@@H]1C[C@H](C)N(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000397307549 512945221 /nfs/dbraw/zinc/94/52/21/512945221.db2.gz INURYQPRJWIBTK-SCVCMEIPSA-N 1 0 370.247 2.803 20 5 FFBDRO C[C@H]1C[C@H](Nc2ccc(C(N)=O)cc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000397976610 512951350 /nfs/dbraw/zinc/95/13/50/512951350.db2.gz KWJZIHPNMNUTDR-BBRMVZONSA-N 1 0 354.410 2.769 20 5 FFBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000408074910 512994986 /nfs/dbraw/zinc/99/49/86/512994986.db2.gz SHIWSFBZOPVKRP-FMKPAKJESA-N 1 0 367.471 2.621 20 5 FFBDRO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000370588031 513006278 /nfs/dbraw/zinc/00/62/78/513006278.db2.gz KCAXEJVISHCLRE-MAUKXSAKSA-N 1 0 352.394 2.746 20 5 FFBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000374857279 513040767 /nfs/dbraw/zinc/04/07/67/513040767.db2.gz NDUUYONZOCMWCE-QZTJIDSGSA-N 1 0 357.385 2.538 20 5 FFBDRO CC(C)c1ccc(C(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000439500930 513128721 /nfs/dbraw/zinc/12/87/21/513128721.db2.gz CCZBMXTZFDWLRD-MRXNPFEDSA-N 1 0 363.458 2.541 20 5 FFBDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000439705435 513168620 /nfs/dbraw/zinc/16/86/20/513168620.db2.gz USHHIOYCLZAQPR-ZDUSSCGKSA-N 1 0 352.410 2.556 20 5 FFBDRO Cc1nc(NCC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000450401272 513178286 /nfs/dbraw/zinc/17/82/86/513178286.db2.gz HXUZEFSPXKPWHD-YOEHRIQHSA-N 1 0 355.442 2.828 20 5 FFBDRO COc1cc(C[NH2+][C@@H]2C[C@@H]3OCCC[C@H]23)c([N+](=O)[O-])cc1OCC(F)F ZINC000439785342 513183382 /nfs/dbraw/zinc/18/33/82/513183382.db2.gz YMOTYUNHTPAWGQ-BZPMIXESSA-N 1 0 372.368 2.904 20 5 FFBDRO CC[NH+](CC)C[C@H](C)NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000446113998 513188963 /nfs/dbraw/zinc/18/89/63/513188963.db2.gz XOXPHXOKZICRMN-NSHDSACASA-N 1 0 372.263 2.746 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000439914879 513210241 /nfs/dbraw/zinc/21/02/41/513210241.db2.gz NWGVKEJYWAVMBR-CYBMUJFWSA-N 1 0 350.419 2.847 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@H+](C)C1CCCC1 ZINC000439923008 513211506 /nfs/dbraw/zinc/21/15/06/513211506.db2.gz CBGIDJJYPOBIMS-UHFFFAOYSA-N 1 0 350.419 2.989 20 5 FFBDRO Cc1ccc([C@H](C)NC(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000417854509 513240292 /nfs/dbraw/zinc/24/02/92/513240292.db2.gz QDCQLBYELKBLCP-YOEHRIQHSA-N 1 0 360.458 2.995 20 5 FFBDRO COc1ccc(-c2ccc(C[N@@H+]3CC[C@H](NC(C)=O)C3)o2)c([N+](=O)[O-])c1 ZINC000421390591 513246401 /nfs/dbraw/zinc/24/64/01/513246401.db2.gz OEDSFENKQBJKCI-ZDUSSCGKSA-N 1 0 359.382 2.574 20 5 FFBDRO C[C@H](c1ccccc1)[C@@H](O)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000450566526 513253537 /nfs/dbraw/zinc/25/35/37/513253537.db2.gz KXYFLUQDTWFPPN-HFTRVMKXSA-N 1 0 356.426 2.641 20 5 FFBDRO O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000415430064 513256472 /nfs/dbraw/zinc/25/64/72/513256472.db2.gz BWDYPVIBYUDTEU-NSHDSACASA-N 1 0 358.320 2.972 20 5 FFBDRO CC(C)c1n[nH]c(C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)c1[N+](=O)[O-] ZINC000434230821 513264594 /nfs/dbraw/zinc/26/45/94/513264594.db2.gz XOYAVPFHRQAGTE-CYBMUJFWSA-N 1 0 351.451 2.682 20 5 FFBDRO COc1ccc(CNC(=O)NC2CCC(C[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000429080456 513274099 /nfs/dbraw/zinc/27/40/99/513274099.db2.gz QOMSNZVHFJIHDN-UHFFFAOYSA-N 1 0 364.446 2.523 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC(OCCC[NH3+])CC1 ZINC000415477552 513279214 /nfs/dbraw/zinc/27/92/14/513279214.db2.gz BLXIYJRRSLKPMS-UHFFFAOYSA-N 1 0 350.419 2.573 20 5 FFBDRO Cc1ccc(NC(=O)C(=O)Nc2ccc(C[NH+](C)C)cc2)cc1[N+](=O)[O-] ZINC000446667881 513310154 /nfs/dbraw/zinc/31/01/54/513310154.db2.gz SYVDOLDSJWIYAC-UHFFFAOYSA-N 1 0 356.382 2.542 20 5 FFBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000440419169 513317692 /nfs/dbraw/zinc/31/76/92/513317692.db2.gz CQQMVARPZFJKBF-GFCCVEGCSA-N 1 0 363.439 2.655 20 5 FFBDRO CCCN(C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000418003269 513328752 /nfs/dbraw/zinc/32/87/52/513328752.db2.gz ZQSLKIFQVQBOCR-AWEZNQCLSA-N 1 0 354.838 2.574 20 5 FFBDRO Cc1c(NC(=O)NC[C@H]2CCC[NH2+]2)cc(Br)cc1[N+](=O)[O-] ZINC000415647211 513361525 /nfs/dbraw/zinc/36/15/25/513361525.db2.gz AGEMYTWUFPZTDL-SNVBAGLBSA-N 1 0 357.208 2.539 20 5 FFBDRO Cc1c(NC(=O)N[C@@H](C)CCC[NH3+])cc(Br)cc1[N+](=O)[O-] ZINC000415653240 513364453 /nfs/dbraw/zinc/36/44/53/513364453.db2.gz IAYOMWDVELOCQX-QMMMGPOBSA-N 1 0 359.224 2.915 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000415665353 513368728 /nfs/dbraw/zinc/36/87/28/513368728.db2.gz VCLCDZZUIKEBKK-DOTOQJQBSA-N 1 0 370.409 2.871 20 5 FFBDRO CN(CC(C)(C)C[NH3+])S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000447055899 513387009 /nfs/dbraw/zinc/38/70/09/513387009.db2.gz WUWDBZRDGXXIMS-UHFFFAOYSA-N 1 0 370.258 2.507 20 5 FFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCCN(c2ccnn2C)C1 ZINC000447071707 513390125 /nfs/dbraw/zinc/39/01/25/513390125.db2.gz BQSSZGKPMBYWOT-GSPCDJLXSA-N 1 0 355.442 2.990 20 5 FFBDRO COc1ccc(OCC[NH2+][C@]2(CO)CCCc3ccccc32)c([N+](=O)[O-])c1 ZINC000440824222 513416681 /nfs/dbraw/zinc/41/66/81/513416681.db2.gz UFGBDRVOIMYVDN-FQEVSTJZSA-N 1 0 372.421 2.796 20 5 FFBDRO C[C@H]1C[N@@H+](C2CCN(c3nccc4ccc([N+](=O)[O-])cc43)CC2)CCO1 ZINC000413069388 513422134 /nfs/dbraw/zinc/42/21/34/513422134.db2.gz DVGHSGBYAQARBC-AWEZNQCLSA-N 1 0 356.426 2.833 20 5 FFBDRO C[C@H]1CN(c2cccc3cnccc32)CC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000447383382 513459471 /nfs/dbraw/zinc/45/94/71/513459471.db2.gz KNLDMBDYDGXMKR-HNNXBMFYSA-N 1 0 366.425 2.550 20 5 FFBDRO Cn1cc(C[N@@H+]2CCCN(c3ccc([N+](=O)[O-])c4ncccc34)CC2)cn1 ZINC000413122613 513462756 /nfs/dbraw/zinc/46/27/56/513462756.db2.gz AGTYPWSDLAQSGH-UHFFFAOYSA-N 1 0 366.425 2.589 20 5 FFBDRO O=C(NCC[C@H]1CCC[NH2+]C1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000418346988 513475298 /nfs/dbraw/zinc/47/52/98/513475298.db2.gz NDNOLIXNNRUDGJ-NVXWUHKLSA-N 1 0 360.458 2.874 20 5 FFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]Cc2cccnc2-n2cccn2)n1 ZINC000447550482 513505512 /nfs/dbraw/zinc/50/55/12/513505512.db2.gz NIICQJXXHWNNRD-CVEARBPZSA-N 1 0 367.413 2.646 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCC[C@@H]([C@@H]4CCOC4)C3)n2)cc1 ZINC000441198866 513509485 /nfs/dbraw/zinc/50/94/85/513509485.db2.gz CKNMIHOWRKERCW-HUUCEWRRSA-N 1 0 358.398 2.893 20 5 FFBDRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)c1ncc([N+](=O)[O-])cc1F ZINC000413199380 513514991 /nfs/dbraw/zinc/51/49/91/513514991.db2.gz UBBUIZWMTRFWSZ-UHFFFAOYSA-N 1 0 354.332 2.975 20 5 FFBDRO Cn1nc(CC[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c2ccccc21 ZINC000447593122 513516932 /nfs/dbraw/zinc/51/69/32/513516932.db2.gz PZSYIKUGASEQFN-WMZOPIPTSA-N 1 0 368.441 2.994 20 5 FFBDRO C[C@H]([NH2+]CC(=O)NC(=O)N[C@@H]1CCCC[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000451100598 513520130 /nfs/dbraw/zinc/52/01/30/513520130.db2.gz VSRYDXSKJDCZBR-DVOMOZLQSA-N 1 0 362.430 2.650 20 5 FFBDRO C[C@H]1CN(c2nccc3ccc([N+](=O)[O-])cc32)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000413214014 513525056 /nfs/dbraw/zinc/52/50/56/513525056.db2.gz KSVBLHLCOYSMIT-HNAYVOBHSA-N 1 0 369.469 2.605 20 5 FFBDRO Cn1cc(CN2CCC[C@H]3C[N@H+](C)C[C@H]32)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000425361781 513529448 /nfs/dbraw/zinc/52/94/48/513529448.db2.gz YQWNNCPKEPVNGS-MAUKXSAKSA-N 1 0 355.442 2.521 20 5 FFBDRO C[NH2+][C@H]1CCN(Cc2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])C1 ZINC000435373669 513569292 /nfs/dbraw/zinc/56/92/92/513569292.db2.gz NXEVUXUOJHRGPU-KRWDZBQOSA-N 1 0 371.437 2.976 20 5 FFBDRO C[N@@H+]1CC[C@]2(CCN(Cc3ccc(Br)cc3[N+](=O)[O-])C2)C1 ZINC000425447590 513571137 /nfs/dbraw/zinc/57/11/37/513571137.db2.gz PXZZGARWOWSRGB-HNNXBMFYSA-N 1 0 354.248 2.885 20 5 FFBDRO CCn1ccnc1CN(Cc1ccc([N+](=O)[O-])cc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435422888 513577812 /nfs/dbraw/zinc/57/78/12/513577812.db2.gz QITVOUJSJXRDTD-SFHVURJKSA-N 1 0 369.469 2.956 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NC[C@@]1([NH+](C)C)CCSC1 ZINC000447815771 513579986 /nfs/dbraw/zinc/57/99/86/513579986.db2.gz HJIFPEYAHILGHW-HNNXBMFYSA-N 1 0 373.862 2.884 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NC[C@]1([NH+](C)C)CCSC1 ZINC000447815772 513580090 /nfs/dbraw/zinc/58/00/90/513580090.db2.gz HJIFPEYAHILGHW-OAHLLOKOSA-N 1 0 373.862 2.884 20 5 FFBDRO NC(=O)c1cccc(C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000451202431 513585987 /nfs/dbraw/zinc/58/59/87/513585987.db2.gz MZUZTOBXILLLTC-UHFFFAOYSA-N 1 0 355.394 2.737 20 5 FFBDRO CCOCCC[N@@H+]1CC[C@@H](NCc2ccc([N+](=O)[O-])cc2OC)[C@@H](C)C1 ZINC000430201043 513587392 /nfs/dbraw/zinc/58/73/92/513587392.db2.gz BWBCISSAYLLLNN-MAUKXSAKSA-N 1 0 365.474 2.830 20 5 FFBDRO O=C(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000418660833 513598801 /nfs/dbraw/zinc/59/88/01/513598801.db2.gz OOLWTFJNWPRCAP-ZWKOTPCHSA-N 1 0 358.442 2.657 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000447852206 513601183 /nfs/dbraw/zinc/60/11/83/513601183.db2.gz YTCISGNZMSOFII-MRXNPFEDSA-N 1 0 365.430 2.679 20 5 FFBDRO Cn1ccnc1C(=O)c1ccc(NCCCC[N@H+](C)C2CC2)c([N+](=O)[O-])c1 ZINC000413348290 513607350 /nfs/dbraw/zinc/60/73/50/513607350.db2.gz NTMRREFVZPZIMZ-UHFFFAOYSA-N 1 0 371.441 2.846 20 5 FFBDRO Cc1cc(OCC(=O)Nc2ccc(OCC[NH+](C)C)cc2)ccc1[N+](=O)[O-] ZINC000430397540 513644934 /nfs/dbraw/zinc/64/49/34/513644934.db2.gz AXPWTAIHJIPCOO-UHFFFAOYSA-N 1 0 373.409 2.861 20 5 FFBDRO Cn1ccnc1CN(Cc1c(F)cccc1[N+](=O)[O-])[C@@H]1CC12CC[NH2+]CC2 ZINC000435697223 513661126 /nfs/dbraw/zinc/66/11/26/513661126.db2.gz XNRFJXONEHOLTP-QGZVFWFLSA-N 1 0 373.432 2.612 20 5 FFBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000448036421 513663078 /nfs/dbraw/zinc/66/30/78/513663078.db2.gz YAPMBEQFDOXGEE-QGZVFWFLSA-N 1 0 360.458 2.783 20 5 FFBDRO COc1ccccc1CCNC(=O)C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000435752656 513676856 /nfs/dbraw/zinc/67/68/56/513676856.db2.gz ZARRFSAXRQYGKV-RMKNXTFCSA-N 1 0 369.421 2.565 20 5 FFBDRO Cc1cc(OCC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000430533879 513678992 /nfs/dbraw/zinc/67/89/92/513678992.db2.gz XVQXXNFSNSBYGJ-MRXNPFEDSA-N 1 0 361.442 2.759 20 5 FFBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000451339622 513687060 /nfs/dbraw/zinc/68/70/60/513687060.db2.gz ILTBNIWGSFOVTH-RNJTYBCJSA-N 1 0 361.442 2.937 20 5 FFBDRO C[C@H]1C[C@H](C)CN(c2ccc(C(=O)NCC3([NH+](C)C)CC3)cc2[N+](=O)[O-])C1 ZINC000416292010 513692671 /nfs/dbraw/zinc/69/26/71/513692671.db2.gz PYPYUMKMIKPFGS-GJZGRUSLSA-N 1 0 374.485 2.901 20 5 FFBDRO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)cccc1[N+](=O)[O-] ZINC000451428945 513745984 /nfs/dbraw/zinc/74/59/84/513745984.db2.gz WVRSOEDPENAZCP-MJSCVDMRSA-N 1 0 361.442 2.856 20 5 FFBDRO Cc1cc(S(=O)(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)c(C)cc1[N+](=O)[O-] ZINC000416395139 513750174 /nfs/dbraw/zinc/75/01/74/513750174.db2.gz YGENDATXTPHBQP-AWEZNQCLSA-N 1 0 367.471 2.507 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)[C@H](C)C1 ZINC000416406203 513754913 /nfs/dbraw/zinc/75/49/13/513754913.db2.gz FCGKTBUNWDOOMI-HUUCEWRRSA-N 1 0 369.487 2.562 20 5 FFBDRO CC[C@@H](C)[C@H]([NH3+])C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000442731569 513761614 /nfs/dbraw/zinc/76/16/14/513761614.db2.gz UVEUOEBMZUKONW-RNCFNFMXSA-N 1 0 362.352 2.515 20 5 FFBDRO CCO[C@@H]1C[C@@H]([NH2+]CCOc2ccc(OC)cc2[N+](=O)[O-])C12CCC2 ZINC000451472288 513770063 /nfs/dbraw/zinc/77/00/63/513770063.db2.gz KFAKCNLSLITKTO-IAGOWNOFSA-N 1 0 350.415 2.920 20 5 FFBDRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000419340397 513782411 /nfs/dbraw/zinc/78/24/11/513782411.db2.gz NAYPZTJSWGAJKH-VXGBXAGGSA-N 1 0 361.364 2.501 20 5 FFBDRO COc1ccc(NC(=O)CC[NH2+][C@@H]2[C@@H](C)[C@H](OC)C2(C)C)c([N+](=O)[O-])c1 ZINC000451496661 513788412 /nfs/dbraw/zinc/78/84/12/513788412.db2.gz IYQDMJJTAUOXHI-LQAWEQHXSA-N 1 0 365.430 2.581 20 5 FFBDRO CCOCCCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451549682 513825767 /nfs/dbraw/zinc/82/57/67/513825767.db2.gz QCNRZUDXXDSVGS-RDJZCZTQSA-N 1 0 363.458 2.706 20 5 FFBDRO COc1cc(C[NH2+]C[C@@H]2Cc3ccccc3N(C)C2)c([N+](=O)[O-])cc1O ZINC000436379901 513840770 /nfs/dbraw/zinc/84/07/70/513840770.db2.gz SWWCNFLDDOZVTD-ZDUSSCGKSA-N 1 0 357.410 2.707 20 5 FFBDRO O=C(C[NH2+][C@H]([C@@H](CO)C1CC1)C1CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000451612797 513865303 /nfs/dbraw/zinc/86/53/03/513865303.db2.gz QGNJNCDXVRDMRP-GUYCJALGSA-N 1 0 367.833 2.573 20 5 FFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)[C@@H]1CCCC[C@H]1O ZINC000426234783 513880268 /nfs/dbraw/zinc/88/02/68/513880268.db2.gz AKUNVYOSZDNFAE-VCTAVGKDSA-N 1 0 355.822 2.811 20 5 FFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1c2ccccc2C[C@@H]1C[NH3+] ZINC000422627789 513880642 /nfs/dbraw/zinc/88/06/42/513880642.db2.gz QLPXEBQLFGSFSB-SWLSCSKDSA-N 1 0 357.435 2.992 20 5 FFBDRO COc1cc(C(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000448767294 513887768 /nfs/dbraw/zinc/88/77/68/513887768.db2.gz KHYWZUFOMPOGTM-XIKOKIGWSA-N 1 0 367.421 2.983 20 5 FFBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000448780733 513895826 /nfs/dbraw/zinc/89/58/26/513895826.db2.gz KWJHYYACJWRNQQ-LSDHHAIUSA-N 1 0 361.442 2.794 20 5 FFBDRO C[C@H]1C[C@H](NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000431493219 513911299 /nfs/dbraw/zinc/91/12/99/513911299.db2.gz AYTZPEXLFDBALX-JOYOIKCWSA-N 1 0 356.220 2.570 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H]2C[C@H](O)CC[C@H]2C1 ZINC000451697801 513917300 /nfs/dbraw/zinc/91/73/00/513917300.db2.gz ROXAARLVRRTFOP-HLLBOEOZSA-N 1 0 361.442 2.715 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CC[C@@H]4C[C@@H](O)CC[C@@H]4C3)n2)c1 ZINC000451707784 513927052 /nfs/dbraw/zinc/92/70/52/513927052.db2.gz NBZMPBUJMVLERT-XPKDYRNWSA-N 1 0 358.398 2.628 20 5 FFBDRO C[NH2+]CC1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000422810325 513939228 /nfs/dbraw/zinc/93/92/28/513939228.db2.gz RNEDYKMLWAMHPF-UHFFFAOYSA-N 1 0 357.863 2.798 20 5 FFBDRO CC(C)[C@@H]([NH3+])CNC(=O)c1cc(F)cc2c1[nH]c1c(F)cccc1c2=O ZINC000422856053 513953118 /nfs/dbraw/zinc/95/31/18/513953118.db2.gz WLQJIPCUXVHUAX-HNNXBMFYSA-N 1 0 359.376 2.673 20 5 FFBDRO C[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)[C@H](CO)CC(C)(C)C ZINC000451791517 513983310 /nfs/dbraw/zinc/98/33/10/513983310.db2.gz QAXLMMDXGCFFDC-AWEZNQCLSA-N 1 0 365.430 2.622 20 5 FFBDRO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000443811446 514048615 /nfs/dbraw/zinc/04/86/15/514048615.db2.gz OSYWCQVXBQFQPT-MRXNPFEDSA-N 1 0 367.833 2.575 20 5 FFBDRO CC(C)(C)CC(C)(C)[NH+]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000451890193 514049916 /nfs/dbraw/zinc/04/99/16/514049916.db2.gz ABKCQVHJHWJDCH-UHFFFAOYSA-N 1 0 364.490 2.589 20 5 FFBDRO Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CC[C@@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000420270232 514066679 /nfs/dbraw/zinc/06/66/79/514066679.db2.gz JHUODUAMBWLIRB-QAPCUYQASA-N 1 0 354.410 2.616 20 5 FFBDRO CCc1ccccc1[C@H]([NH3+])CNc1ccc(CC(=O)OC)cc1[N+](=O)[O-] ZINC000420283318 514071475 /nfs/dbraw/zinc/07/14/75/514071475.db2.gz SXEOEODYZKFOQZ-MRXNPFEDSA-N 1 0 357.410 2.985 20 5 FFBDRO COc1cccc(N2C[C@@H]([NH2+][C@@H](C)Cc3ccccc3[N+](=O)[O-])CC2=O)c1 ZINC000449110259 514075396 /nfs/dbraw/zinc/07/53/96/514075396.db2.gz BRRWLFVNNSTCAO-HOCLYGCPSA-N 1 0 369.421 2.930 20 5 FFBDRO Cc1ccc(NCCCNC(=O)[C@@H]([NH3+])c2ccccc2C)c([N+](=O)[O-])c1 ZINC000449130718 514086086 /nfs/dbraw/zinc/08/60/86/514086086.db2.gz HNOPTROGIMTBJS-SFHVURJKSA-N 1 0 356.426 2.830 20 5 FFBDRO COc1ccccc1N1CC[C@@H]([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])C1=O ZINC000449191976 514106458 /nfs/dbraw/zinc/10/64/58/514106458.db2.gz PXXGZWLSIOAHII-GDBMZVCRSA-N 1 0 369.421 2.930 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(c2nnc3n2CCNC3)CC1 ZINC000420360477 514110959 /nfs/dbraw/zinc/11/09/59/514110959.db2.gz WSZSKMDNGOVESR-AWEZNQCLSA-N 1 0 370.457 2.539 20 5 FFBDRO Cc1c(NC(=O)CCN2CC[NH2+]C[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000420402723 514133741 /nfs/dbraw/zinc/13/37/41/514133741.db2.gz KJRGSDPZZMUPPS-LJQANCHMSA-N 1 0 368.437 2.878 20 5 FFBDRO C[C@H](NC[C@H]1C[NH2+]CCN1C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000423481865 514149393 /nfs/dbraw/zinc/14/93/93/514149393.db2.gz QYFDOSCQDUNVHX-UONOGXRCSA-N 1 0 360.483 2.878 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC(=O)N[C@@H]1CCOc2ccccc21 ZINC000449305982 514156968 /nfs/dbraw/zinc/15/69/68/514156968.db2.gz JBECIFXDKQIJDN-WMLDXEAASA-N 1 0 369.421 2.755 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCN(C(=O)Cc2ccccc2)C1 ZINC000449314110 514159677 /nfs/dbraw/zinc/15/96/77/514159677.db2.gz YXCSZEACPBDPBE-LPHOPBHVSA-N 1 0 367.449 2.959 20 5 FFBDRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])C[C@@H]12 ZINC000423526488 514161584 /nfs/dbraw/zinc/16/15/84/514161584.db2.gz LIZQQLQMSUFXFN-MVWJERBFSA-N 1 0 355.847 2.536 20 5 FFBDRO COc1c[nH+]ccc1N1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000432412996 514187801 /nfs/dbraw/zinc/18/78/01/514187801.db2.gz DXNZBASERIWKLX-UHFFFAOYSA-N 1 0 371.397 2.661 20 5 FFBDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420601474 514196929 /nfs/dbraw/zinc/19/69/29/514196929.db2.gz NMMWGPSMGAJJLA-MRXNPFEDSA-N 1 0 368.437 2.652 20 5 FFBDRO COC[C@]1(C(=O)OC)CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000449456801 514219019 /nfs/dbraw/zinc/21/90/19/514219019.db2.gz SRWVVRBSSYIZFE-IBGZPJMESA-N 1 0 374.393 2.866 20 5 FFBDRO COc1cc(C[NH2+][C@@H](C(C)C)[C@@H](CO)C(C)C)c([N+](=O)[O-])cc1OC ZINC000449515517 514234880 /nfs/dbraw/zinc/23/48/80/514234880.db2.gz ZVFRAPRTQRMDEH-KSSFIOAISA-N 1 0 354.447 2.991 20 5 FFBDRO CC(C)(C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1)[C@H]([NH3+])c1ccccc1 ZINC000423825902 514249243 /nfs/dbraw/zinc/24/92/43/514249243.db2.gz LIGXHPWQAVGARX-QGZVFWFLSA-N 1 0 354.410 2.601 20 5 FFBDRO COc1cc(C[N@@H+]2CC[C@@H]3C[C@H](O)CC[C@H]3C2)c([N+](=O)[O-])cc1OC ZINC000449550066 514249983 /nfs/dbraw/zinc/24/99/83/514249983.db2.gz BXERSONCJLPBDB-VNHYZAJKSA-N 1 0 350.415 2.595 20 5 FFBDRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000449615585 514271584 /nfs/dbraw/zinc/27/15/84/514271584.db2.gz MPMWFRHHQPTZOL-FOCQTFQBSA-N 1 0 357.332 2.859 20 5 FFBDRO CCOc1cc(NC(=O)N[C@@H]2CC[NH2+][C@H](C)C2)c([N+](=O)[O-])cc1OCC ZINC000414762032 514278849 /nfs/dbraw/zinc/27/88/49/514278849.db2.gz VGUOWHBQQSKKQB-VXGBXAGGSA-N 1 0 366.418 2.654 20 5 FFBDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000438022926 514290292 /nfs/dbraw/zinc/29/02/92/514290292.db2.gz ZCODOCYHLWJOGL-AEFFLSMTSA-N 1 0 358.442 2.896 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CC1(OCCO)CCOCC1)CCCC2 ZINC000417329451 514297668 /nfs/dbraw/zinc/29/76/68/514297668.db2.gz JUOBQLAAVLISIM-SFHVURJKSA-N 1 0 364.442 2.510 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N[C@@H]3CC[NH2+]CC3(C)C)cc2[N+](=O)[O-])C1 ZINC000449692961 514307789 /nfs/dbraw/zinc/30/77/89/514307789.db2.gz CAFHSKNPJHUYKF-RDTXWAMCSA-N 1 0 374.485 2.949 20 5 FFBDRO C[C@@H]1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000423990521 514325158 /nfs/dbraw/zinc/32/51/58/514325158.db2.gz CMLJEZODYWFPTE-GHMZBOCLSA-N 1 0 357.863 2.784 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N3CC[C@@H](C)[C@@H](C[NH3+])C3)cc2[N+](=O)[O-])C1 ZINC000423997623 514328448 /nfs/dbraw/zinc/32/84/48/514328448.db2.gz ACHIDGRVBXDHLU-INMHGKMJSA-N 1 0 374.485 2.888 20 5 FFBDRO C[NH2+]CCCN(C)C(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000424020476 514344814 /nfs/dbraw/zinc/34/48/14/514344814.db2.gz OVGBPTOZXIXCQA-UHFFFAOYSA-N 1 0 359.376 2.641 20 5 FFBDRO CC[C@H]([NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1)C(=O)NC ZINC000449774411 514350078 /nfs/dbraw/zinc/35/00/78/514350078.db2.gz LTPMESATIRMHEJ-INIZCTEOSA-N 1 0 356.426 2.977 20 5 FFBDRO CCc1ccc(C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000424036889 514351480 /nfs/dbraw/zinc/35/14/80/514351480.db2.gz IAJQWAIMUCIDSM-DOTOQJQBSA-N 1 0 357.385 2.863 20 5 FFBDRO COc1cc(C[N@@H+]2CC[C@H](CCCO)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000449791133 514353396 /nfs/dbraw/zinc/35/33/96/514353396.db2.gz NSJIURRKMOAUNU-NSHDSACASA-N 1 0 360.357 2.799 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N3CCC4(CC[NH2+]4)CC3)cc2[N+](=O)[O-])C1 ZINC000424052861 514359062 /nfs/dbraw/zinc/35/90/62/514359062.db2.gz NPBWXQZIHXTRTF-OAHLLOKOSA-N 1 0 372.469 2.799 20 5 FFBDRO CC(C)(CNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[NH+]1CCCCC1 ZINC000444891585 514362529 /nfs/dbraw/zinc/36/25/29/514362529.db2.gz XCQIWFCJOGKWNU-UHFFFAOYSA-N 1 0 374.445 2.535 20 5 FFBDRO COCCO[C@@H]1COCC[C@H]1[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433062367 514367840 /nfs/dbraw/zinc/36/78/40/514367840.db2.gz OHZXBHTXGDBUMO-KZNAEPCWSA-N 1 0 364.442 2.727 20 5 FFBDRO C[C@H]1CCCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)[C@H]1C[NH3+] ZINC000414954198 514373409 /nfs/dbraw/zinc/37/34/09/514373409.db2.gz SJIARNNCLZDHRD-CABZTGNLSA-N 1 0 358.345 2.787 20 5 FFBDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000414954633 514373858 /nfs/dbraw/zinc/37/38/58/514373858.db2.gz SUHHQVJOKTUHMX-ZJUUUORDSA-N 1 0 358.345 2.787 20 5 FFBDRO CC[C@@H]1C[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C[C@@H](CC)O1 ZINC000420946435 514395985 /nfs/dbraw/zinc/39/59/85/514395985.db2.gz BSYWNVSLVMEVTQ-HUUCEWRRSA-N 1 0 365.430 2.821 20 5 FFBDRO CN1C(=O)CC[C@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1=O ZINC000424205962 514415788 /nfs/dbraw/zinc/41/57/88/514415788.db2.gz NOIVYPQKEBXCMU-ZDUSSCGKSA-N 1 0 359.407 2.560 20 5 FFBDRO CC[C@@H]([NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C(=O)N1CCOCC1 ZINC000433290456 514447270 /nfs/dbraw/zinc/44/72/70/514447270.db2.gz SUGABBZPGWKZSB-SJORKVTESA-N 1 0 361.442 2.544 20 5 FFBDRO CC[C@H]([NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C(=O)N1CCOCC1 ZINC000433290453 514447344 /nfs/dbraw/zinc/44/73/44/514447344.db2.gz SUGABBZPGWKZSB-DLBZAZTESA-N 1 0 361.442 2.544 20 5 FFBDRO COc1cc(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc([N+](=O)[O-])c1OC ZINC000438903035 514464573 /nfs/dbraw/zinc/46/45/73/514464573.db2.gz PFQMILPQGVVDGQ-UHFFFAOYSA-N 1 0 365.430 2.651 20 5 FFBDRO COc1c(C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000475023885 514527525 /nfs/dbraw/zinc/52/75/25/514527525.db2.gz LHMJZWJRAHRGJX-MRXNPFEDSA-N 1 0 361.373 2.775 20 5 FFBDRO COc1cc(C(=O)NC[C@@H]2CCCC[N@@H+]2CC(C)C)c([N+](=O)[O-])cc1F ZINC000450192874 514533087 /nfs/dbraw/zinc/53/30/87/514533087.db2.gz LKGRTLUGCTYTNU-ZDUSSCGKSA-N 1 0 367.421 2.983 20 5 FFBDRO Cc1nc(NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)ncc1[N+](=O)[O-] ZINC000450256797 514567580 /nfs/dbraw/zinc/56/75/80/514567580.db2.gz INNRRDNVGCNYPZ-CQSZACIVSA-N 1 0 355.442 2.959 20 5 FFBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc4c(=O)c5cccc(F)c5[nH]c34)C[C@@H]21 ZINC000452976216 514581788 /nfs/dbraw/zinc/58/17/88/514581788.db2.gz OBWXGROBZNKDIV-PXAZEXFGSA-N 1 0 365.408 2.597 20 5 FFBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)CSc1ccccc1[N+](=O)[O-] ZINC000479474418 514597770 /nfs/dbraw/zinc/59/77/70/514597770.db2.gz MRHXDBOZYWXODI-ZDUSSCGKSA-N 1 0 351.472 2.876 20 5 FFBDRO CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000453473004 514663581 /nfs/dbraw/zinc/66/35/81/514663581.db2.gz WLTYJENMWVKQIO-MRXNPFEDSA-N 1 0 358.446 2.792 20 5 FFBDRO C[N@H+](CC1CC1)C[C@H]1CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000470963177 514695715 /nfs/dbraw/zinc/69/57/15/514695715.db2.gz ZCKDSQMQINCBIC-OAHLLOKOSA-N 1 0 371.441 2.809 20 5 FFBDRO Cc1nc(NCc2ccc(OCC[NH+]3CCCC3)cc2)ccc1[N+](=O)[O-] ZINC000471043641 514731571 /nfs/dbraw/zinc/73/15/71/514731571.db2.gz HCKRFBXDQKKLBR-UHFFFAOYSA-N 1 0 356.426 2.807 20 5 FFBDRO C[C@H](CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)[N@@H+]1CCCC[C@@H]1C ZINC000479858258 514747667 /nfs/dbraw/zinc/74/76/67/514747667.db2.gz AUXVGQIPCCVPKS-LSDHHAIUSA-N 1 0 371.441 2.773 20 5 FFBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000508342020 514748906 /nfs/dbraw/zinc/74/89/06/514748906.db2.gz JTCSABFOQZVDNW-KGLIPLIRSA-N 1 0 351.472 2.924 20 5 FFBDRO Cc1ccc([C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)N2CCOCC2)o1 ZINC000479918159 514775714 /nfs/dbraw/zinc/77/57/14/514775714.db2.gz CFKVJXKAPJREPL-QGZVFWFLSA-N 1 0 363.389 2.798 20 5 FFBDRO CC[NH+](CC)[C@@H](CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)CC(C)C ZINC000489324522 514799668 /nfs/dbraw/zinc/79/96/68/514799668.db2.gz ANGAMXGZSQELIT-CQSZACIVSA-N 1 0 365.430 2.810 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]1C ZINC000484929734 514847039 /nfs/dbraw/zinc/84/70/39/514847039.db2.gz XZZUPTUKEOZWMH-XJKSGUPXSA-N 1 0 359.430 2.949 20 5 FFBDRO CCC[NH+]1CCC(NC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000484989051 514866129 /nfs/dbraw/zinc/86/61/29/514866129.db2.gz APKCALDDIQDRIP-UHFFFAOYSA-N 1 0 367.471 2.930 20 5 FFBDRO COc1cc(C[NH2+][C@@H](C)CC(N)=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000498372100 514886817 /nfs/dbraw/zinc/88/68/17/514886817.db2.gz HOJLSLQBUJTMOA-ZDUSSCGKSA-N 1 0 373.409 2.536 20 5 FFBDRO C[N@@H+]1CCC[C@H](CCNC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000458658058 514995286 /nfs/dbraw/zinc/99/52/86/514995286.db2.gz UTXVIFYPXAGZIN-GFCCVEGCSA-N 1 0 354.838 2.779 20 5 FFBDRO COc1cc(C(=O)N[C@H]2C[N@H+](C)C[C@H]2c2ccccc2)cc([N+](=O)[O-])c1C ZINC000480581398 515007056 /nfs/dbraw/zinc/00/70/56/515007056.db2.gz BPVSHUCPLSRDOM-IRXDYDNUSA-N 1 0 369.421 2.739 20 5 FFBDRO C[C@H]1CC[N@H+](C)CCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000498723815 515041776 /nfs/dbraw/zinc/04/17/76/515041776.db2.gz YXRXFWWKVGBSNX-LBPRGKRZSA-N 1 0 360.439 2.885 20 5 FFBDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000503473111 515046224 /nfs/dbraw/zinc/04/62/24/515046224.db2.gz VNWNNCDGJIZKFD-HNNXBMFYSA-N 1 0 372.425 2.755 20 5 FFBDRO CC[N@@H+]1CCC[C@H](Nc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)C1 ZINC000462496889 515086914 /nfs/dbraw/zinc/08/69/14/515086914.db2.gz WVHFWJRSFKILIJ-INIZCTEOSA-N 1 0 356.426 2.887 20 5 FFBDRO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])CC[N@H+](Cc2ccccc2)C1 ZINC000456326213 515094949 /nfs/dbraw/zinc/09/49/49/515094949.db2.gz GLIKNIOOYBZELR-HNNXBMFYSA-N 1 0 369.421 2.895 20 5 FFBDRO C[NH+](C)[C@H](CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)c1cccs1 ZINC000485575115 515098130 /nfs/dbraw/zinc/09/81/30/515098130.db2.gz GABWWGLZNCWEHD-CQSZACIVSA-N 1 0 369.393 2.896 20 5 FFBDRO CC[NH+](CC)CCO[C@@H]1CCN(Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000472285514 515203104 /nfs/dbraw/zinc/20/31/04/515203104.db2.gz PJBPZGZAYMFSOK-QGZVFWFLSA-N 1 0 351.447 2.536 20 5 FFBDRO COC(=O)COc1ccc(C[N@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2)cc1 ZINC000481132621 515217026 /nfs/dbraw/zinc/21/70/26/515217026.db2.gz DFAWBKSRTFNILD-UHFFFAOYSA-N 1 0 374.393 2.787 20 5 FFBDRO CN(c1ccccc1)c1ccc(C[NH2+]CC(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000504131325 515226886 /nfs/dbraw/zinc/22/68/86/515226886.db2.gz MESYPIHENCNCMB-UHFFFAOYSA-N 1 0 354.410 2.731 20 5 FFBDRO CCC[N@@H+]1CC[C@H](CNc2cc(CN3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000472345134 515236038 /nfs/dbraw/zinc/23/60/38/515236038.db2.gz VJIMWFQAASOZAI-QGZVFWFLSA-N 1 0 362.474 2.571 20 5 FFBDRO Cc1c(Br)cc(C(=O)N2C[C@H](C)N(C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000509591627 515247804 /nfs/dbraw/zinc/24/78/04/515247804.db2.gz JXVBXULEXCNTCU-UWVGGRQHSA-N 1 0 370.247 2.830 20 5 FFBDRO C[C@@H](CNC(=O)CSc1ccc([N+](=O)[O-])cc1)C[NH+]1CCCCC1 ZINC000490631047 515269209 /nfs/dbraw/zinc/26/92/09/515269209.db2.gz QPWVRLWPVHSUHN-AWEZNQCLSA-N 1 0 351.472 2.925 20 5 FFBDRO CNc1c(C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000462925300 515300949 /nfs/dbraw/zinc/30/09/49/515300949.db2.gz LVIDWARKIHFLBW-MRXNPFEDSA-N 1 0 360.389 2.808 20 5 FFBDRO COc1c(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000477128428 515340833 /nfs/dbraw/zinc/34/08/33/515340833.db2.gz PYVMFWVUMMGMFQ-MRXNPFEDSA-N 1 0 369.421 2.855 20 5 FFBDRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000486235947 515393166 /nfs/dbraw/zinc/39/31/66/515393166.db2.gz SEFJQGQUCHJCNW-RYUDHWBXSA-N 1 0 355.385 2.795 20 5 FFBDRO CCOc1ccc([C@@H](C)NCc2nnnn2-c2ccccc2)cc1[N+](=O)[O-] ZINC000504911718 515408362 /nfs/dbraw/zinc/40/83/62/515408362.db2.gz KHLSEDLQMCVRDC-CYBMUJFWSA-N 1 0 368.397 2.820 20 5 FFBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000499713064 515423612 /nfs/dbraw/zinc/42/36/12/515423612.db2.gz NFAFDRQMNGXHMR-HNNXBMFYSA-N 1 0 371.441 2.775 20 5 FFBDRO C[N@@H+]1C[C@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000481757050 515453421 /nfs/dbraw/zinc/45/34/21/515453421.db2.gz WQJCCCYRSJYVQQ-SJORKVTESA-N 1 0 369.421 2.578 20 5 FFBDRO CC[C@H](C)[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)CC(=O)OC ZINC000499789706 515455610 /nfs/dbraw/zinc/45/56/10/515455610.db2.gz IGIIMXLUQNLYQK-ZDUSSCGKSA-N 1 0 351.403 2.505 20 5 FFBDRO CN(C(C)(C)C[NH+]1CCCCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000491833169 515472400 /nfs/dbraw/zinc/47/24/00/515472400.db2.gz UXVXGAVLBLCQOL-UHFFFAOYSA-N 1 0 369.487 2.870 20 5 FFBDRO CN(CC(=O)NC[C@@H](C1CCCCC1)[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC000463396896 515474303 /nfs/dbraw/zinc/47/43/03/515474303.db2.gz UNXBELDWUFBUEX-SFHVURJKSA-N 1 0 362.474 2.658 20 5 FFBDRO COCCN1CC[C@@H]([NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000492146113 515505962 /nfs/dbraw/zinc/50/59/62/515505962.db2.gz YCINQAZKALPDKW-UYAOXDASSA-N 1 0 355.438 2.995 20 5 FFBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000486509361 515518441 /nfs/dbraw/zinc/51/84/41/515518441.db2.gz BOWHFPKIHZAPPO-ZDUSSCGKSA-N 1 0 367.396 2.606 20 5 FFBDRO COc1cc(C[N@@H+]2CCC[C@@H](C)[C@@H]2CO)c([N+](=O)[O-])cc1OCC(F)F ZINC000505569325 515588279 /nfs/dbraw/zinc/58/82/79/515588279.db2.gz UCMVHPLOLCDEDJ-RISCZKNCSA-N 1 0 374.384 2.840 20 5 FFBDRO COc1cc(C[NH2+][C@H](CN2CCOCC2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000493005764 515588389 /nfs/dbraw/zinc/58/83/89/515588389.db2.gz ADLDEQUFQDVFLW-GOSISDBHSA-N 1 0 371.437 2.767 20 5 FFBDRO CC[NH+](CC)C[C@H]1CCCC[C@H]1NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000482152915 515590585 /nfs/dbraw/zinc/59/05/85/515590585.db2.gz SSGPXTGZKCQYEG-IAGOWNOFSA-N 1 0 362.474 2.684 20 5 FFBDRO COC(=O)C[C@@]1([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCOC1 ZINC000463722535 515591031 /nfs/dbraw/zinc/59/10/31/515591031.db2.gz NLKCNSVZINBTGB-SFHVURJKSA-N 1 0 360.366 2.667 20 5 FFBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C[C@H]1C ZINC000500109341 515593158 /nfs/dbraw/zinc/59/31/58/515593158.db2.gz BOAADLOSVQQJQH-MNOVXSKESA-N 1 0 370.247 2.912 20 5 FFBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000500121231 515599284 /nfs/dbraw/zinc/59/92/84/515599284.db2.gz KVPOXMUTUFQLGJ-KBPBESRZSA-N 1 0 371.441 2.550 20 5 FFBDRO CC(C)(C[NH+]1CCCC1)NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000457041287 515601579 /nfs/dbraw/zinc/60/15/79/515601579.db2.gz GMBFLXPDRGUBLO-UHFFFAOYSA-N 1 0 370.247 2.962 20 5 FFBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CCN(C(=O)c2cscn2)[C@@H](C)C1 ZINC000459512538 515607987 /nfs/dbraw/zinc/60/79/87/515607987.db2.gz JZKCXBQHQVWOKG-QWHCGFSZSA-N 1 0 360.439 2.959 20 5 FFBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NCC[NH+]3CCCC3)cc2[N+](=O)[O-])C1 ZINC000500269550 515651027 /nfs/dbraw/zinc/65/10/27/515651027.db2.gz ZSNLNRSXTVVPDK-HZPDHXFCSA-N 1 0 374.485 2.903 20 5 FFBDRO C[C@H]1C[C@H](C)CN(c2ccc(C(=O)NCC[NH+]3CCCC3)cc2[N+](=O)[O-])C1 ZINC000500269549 515651259 /nfs/dbraw/zinc/65/12/59/515651259.db2.gz ZSNLNRSXTVVPDK-HOTGVXAUSA-N 1 0 374.485 2.903 20 5 FFBDRO COc1cccc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)c1[N+](=O)[O-] ZINC000494036219 515716115 /nfs/dbraw/zinc/71/61/15/515716115.db2.gz DEZNCQOWQQNQJD-PBHICJAKSA-N 1 0 369.421 2.996 20 5 FFBDRO Cc1ccc(C)c(S(=O)(=O)NCCC[N@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000478169055 515723614 /nfs/dbraw/zinc/72/36/14/515723614.db2.gz KZVMPHQGAJWGMJ-HNNXBMFYSA-N 1 0 369.487 2.754 20 5 FFBDRO C[C@@H]([NH2+][C@H]1CCN(C(=O)COc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000510994297 515739019 /nfs/dbraw/zinc/73/90/19/515739019.db2.gz GGYAHZZZKZPPIV-WBVHZDCISA-N 1 0 369.421 2.925 20 5 FFBDRO CCN(CCC[NH+](CC)CC)S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000473942318 515812917 /nfs/dbraw/zinc/81/29/17/515812917.db2.gz XJPMBQMKRKJLKJ-UHFFFAOYSA-N 1 0 371.503 2.954 20 5 FFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000459801292 515814573 /nfs/dbraw/zinc/81/45/73/515814573.db2.gz KXQRNYWOYQVGAF-JEBQAFNWSA-N 1 0 361.442 2.795 20 5 FFBDRO C[C@@H]1[C@H]([NH3+])CCCN1C(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000457357199 515825549 /nfs/dbraw/zinc/82/55/49/515825549.db2.gz ITHVILVUJXGPLP-SQWLQELKSA-N 1 0 360.458 2.783 20 5 FFBDRO COc1ccc(CNC(=O)N[C@H](C)C[NH+]2CCCCCC2)cc1[N+](=O)[O-] ZINC000482888214 515835380 /nfs/dbraw/zinc/83/53/80/515835380.db2.gz KGJXIYMTGNLPDO-CQSZACIVSA-N 1 0 364.446 2.667 20 5 FFBDRO CCc1cnccc1[C@H](C)[NH2+]Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000474024391 515848498 /nfs/dbraw/zinc/84/84/98/515848498.db2.gz WIGOJUQKFJWMHO-ZDUSSCGKSA-N 1 0 373.409 2.955 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000511431464 515902367 /nfs/dbraw/zinc/90/23/67/515902367.db2.gz WYMWRHYMXPBMIW-UHFFFAOYSA-N 1 0 370.457 2.708 20 5 FFBDRO CC[NH+](CC)CCO[C@@H]1CCN(Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000464680996 515923153 /nfs/dbraw/zinc/92/31/53/515923153.db2.gz YRPYHYPMBKZNMY-OAHLLOKOSA-N 1 0 369.437 2.675 20 5 FFBDRO COc1cc(C[NH2+]C[C@]2(C)CCOC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000494696384 515930897 /nfs/dbraw/zinc/93/08/97/515930897.db2.gz HPYPQJGNYKIVDF-INIZCTEOSA-N 1 0 360.357 2.764 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+]C[C@H]2CCc3ccccc32)cc1[N+](=O)[O-] ZINC000474350605 516004456 /nfs/dbraw/zinc/00/44/56/516004456.db2.gz MMQKAIFMGCTZFP-MRXNPFEDSA-N 1 0 370.405 2.966 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+]Cc2cccc(N(C)C)c2)cc1[N+](=O)[O-] ZINC000474363478 516011506 /nfs/dbraw/zinc/01/15/06/516011506.db2.gz VBHUKXKZHBIGAH-UHFFFAOYSA-N 1 0 373.409 2.502 20 5 FFBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000507003299 516050155 /nfs/dbraw/zinc/05/01/55/516050155.db2.gz VRQGWRJIGPKUSX-BBRMVZONSA-N 1 0 354.410 2.941 20 5 FFBDRO COCC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@H]1CCC[C@@H]1C ZINC000487998521 516071643 /nfs/dbraw/zinc/07/16/43/516071643.db2.gz IGARPZFQQOKSCD-BBRMVZONSA-N 1 0 365.430 2.679 20 5 FFBDRO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)cc2)C1 ZINC000465184852 516088301 /nfs/dbraw/zinc/08/83/01/516088301.db2.gz LAEKXTNOKLXCBN-CYBMUJFWSA-N 1 0 358.398 2.896 20 5 FFBDRO COCC[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@H]1CCC[C@H]1C ZINC000488075547 516107772 /nfs/dbraw/zinc/10/77/72/516107772.db2.gz ORWNDZLMNVGGEE-PBHICJAKSA-N 1 0 361.442 2.621 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@H]1C[C@@](C)(OC)C1(C)C ZINC000465402475 516143197 /nfs/dbraw/zinc/14/31/97/516143197.db2.gz HRYMPWOIHCOVKP-GEWABHDNSA-N 1 0 365.430 2.724 20 5 FFBDRO CC[NH+](CC)CC1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000488408123 516218020 /nfs/dbraw/zinc/21/80/20/516218020.db2.gz RIPBQRCSVOOFKI-UHFFFAOYSA-N 1 0 374.485 2.538 20 5 FFBDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000488493296 516239506 /nfs/dbraw/zinc/23/95/06/516239506.db2.gz KZIGGQQFICQZIE-AWEZNQCLSA-N 1 0 363.414 2.708 20 5 FFBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000465735800 516242101 /nfs/dbraw/zinc/24/21/01/516242101.db2.gz BLSFRBFHUHRNJU-XHSDSOJGSA-N 1 0 362.474 2.803 20 5 FFBDRO Cc1c(Br)c(N2CC[C@@]3(CC[N@@H+](C)C3)C2)ncc1[N+](=O)[O-] ZINC000488743164 516299240 /nfs/dbraw/zinc/29/92/40/516299240.db2.gz HBSUGVKZJBJVTJ-CQSZACIVSA-N 1 0 355.236 2.593 20 5 FFBDRO Cc1cc(C[NH+](C)C)cc(NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)c1 ZINC000535418471 516344916 /nfs/dbraw/zinc/34/49/16/516344916.db2.gz GNUNPDYIXFVZSJ-UHFFFAOYSA-N 1 0 371.393 2.988 20 5 FFBDRO O=C(C[NH2+][C@@H](CCO)c1ccc(Cl)cc1)Nc1ccccc1[N+](=O)[O-] ZINC000554293721 516367786 /nfs/dbraw/zinc/36/77/86/516367786.db2.gz JWISBZDTFWEOHU-AWEZNQCLSA-N 1 0 363.801 2.900 20 5 FFBDRO O=[N+]([O-])c1cccc(N2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000550681064 516382681 /nfs/dbraw/zinc/38/26/81/516382681.db2.gz SUXVUJODGMNSLV-NRFANRHFSA-N 1 0 366.465 2.991 20 5 FFBDRO CCc1nnc(NC(=O)[C@@H](C)[C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2)s1 ZINC000513074482 516462555 /nfs/dbraw/zinc/46/25/55/516462555.db2.gz HHIDDVNAGSHFIV-WDEREUQCSA-N 1 0 363.443 2.762 20 5 FFBDRO CCc1cnccc1[C@@H](C)[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000543980964 516525013 /nfs/dbraw/zinc/52/50/13/516525013.db2.gz VLLQUPVCUIBEDN-CYBMUJFWSA-N 1 0 354.410 2.792 20 5 FFBDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C[C@@H](C)C1 ZINC000558027890 516558538 /nfs/dbraw/zinc/55/85/38/516558538.db2.gz XFFMFBWSWPJWAP-DOXZYTNZSA-N 1 0 370.453 2.738 20 5 FFBDRO CC(C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)[N@@H+]1CCc2ccccc2C1 ZINC000531624601 516560553 /nfs/dbraw/zinc/56/05/53/516560553.db2.gz XMSJWCZYYQTXFE-LJQANCHMSA-N 1 0 368.437 2.803 20 5 FFBDRO CN(C(=O)C[NH2+][C@H](c1cnn(C)c1)C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000540475791 516572015 /nfs/dbraw/zinc/57/20/15/516572015.db2.gz MNZDDCUMWVVGQA-QGZVFWFLSA-N 1 0 359.430 2.668 20 5 FFBDRO C[C@@]1(c2ccccc2)CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000544144004 516612785 /nfs/dbraw/zinc/61/27/85/516612785.db2.gz MEFUQULTKIVYCV-FXAWDEMLSA-N 1 0 356.422 2.998 20 5 FFBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000561506421 516622662 /nfs/dbraw/zinc/62/26/62/516622662.db2.gz XMGJQUFSIWOBGY-UHFFFAOYSA-N 1 0 370.453 2.911 20 5 FFBDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000536097135 516628022 /nfs/dbraw/zinc/62/80/22/516628022.db2.gz ZNBLBEGJMHOFJM-HNNXBMFYSA-N 1 0 362.474 2.947 20 5 FFBDRO C[N@H+](CCN1CCN(Cc2cccc([N+](=O)[O-])c2)CC1)Cc1ccccc1 ZINC000513451072 516628750 /nfs/dbraw/zinc/62/87/50/516628750.db2.gz NRUKJZBGERESHS-UHFFFAOYSA-N 1 0 368.481 2.844 20 5 FFBDRO CC(C)[NH+]1CCN([C@H]2CCN(Cc3c(Cl)cccc3[N+](=O)[O-])C2)CC1 ZINC000547968079 516664687 /nfs/dbraw/zinc/66/46/87/516664687.db2.gz BZUUDBIOGIWUCK-HNNXBMFYSA-N 1 0 366.893 2.849 20 5 FFBDRO CC[N@H+](CCC1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])CC1)CC(C)C ZINC000554874782 516676238 /nfs/dbraw/zinc/67/62/38/516676238.db2.gz VURJDFHKCNSEKP-UHFFFAOYSA-N 1 0 351.451 2.538 20 5 FFBDRO CCCN(CC[NH+]1CCCCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000561724769 516733796 /nfs/dbraw/zinc/73/37/96/516733796.db2.gz QNTVALSPPSJFOA-UHFFFAOYSA-N 1 0 369.487 2.872 20 5 FFBDRO Cc1c(Br)c(N2CC[C@H]([NH+]3CCCC3)C2)ncc1[N+](=O)[O-] ZINC000544393435 516739803 /nfs/dbraw/zinc/73/98/03/516739803.db2.gz ORDYQQFWURPZCY-NSHDSACASA-N 1 0 355.236 2.735 20 5 FFBDRO COC(=O)COc1ccc(C[N@@H+]2CC3(CCC3)[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000555099889 516780532 /nfs/dbraw/zinc/78/05/32/516780532.db2.gz QWDKXIQOUBMQBR-GOSISDBHSA-N 1 0 360.410 2.911 20 5 FFBDRO C[C@@H]1CC[C@@]2(CC[N@@H+]([C@@H]3CC(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)C2)C1 ZINC000540977323 516812325 /nfs/dbraw/zinc/81/23/25/516812325.db2.gz HQKVGPVGTWTIJX-VVFCZOMOSA-N 1 0 357.410 2.739 20 5 FFBDRO C[C@@H](CO)[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)C1CCCC1 ZINC000561887397 516816487 /nfs/dbraw/zinc/81/64/87/516816487.db2.gz WRPJBCOXDHTGMQ-ZDUSSCGKSA-N 1 0 363.414 2.518 20 5 FFBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000540998261 516819962 /nfs/dbraw/zinc/81/99/62/516819962.db2.gz NOEIWEXTIFKZRN-VXGBXAGGSA-N 1 0 357.357 2.799 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]Cc2ccc(Cl)cc2)cc1 ZINC000544597579 516830439 /nfs/dbraw/zinc/83/04/39/516830439.db2.gz MFIALGZEDRGDHE-UHFFFAOYSA-N 1 0 354.815 2.812 20 5 FFBDRO C[C@@H](NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)C(C)(C)C[NH+](C)C ZINC000541034633 516840914 /nfs/dbraw/zinc/84/09/14/516840914.db2.gz JCVSLCODHIQVGX-SNVBAGLBSA-N 1 0 359.373 2.902 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000525024175 516899046 /nfs/dbraw/zinc/89/90/46/516899046.db2.gz PEYWHOFOWPWRPG-SGMGOOAPSA-N 1 0 369.849 2.814 20 5 FFBDRO Cn1c(-c2nc(-c3ccc(OCC[NH+](C)C)cc3)no2)ccc1[N+](=O)[O-] ZINC000544987280 517011335 /nfs/dbraw/zinc/01/13/35/517011335.db2.gz DUNQULJAWQSBPH-UHFFFAOYSA-N 1 0 357.370 2.591 20 5 FFBDRO C[C@@H]1C[NH+](C[C@@H]2CCCN2Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H](C)O1 ZINC000548508504 517024902 /nfs/dbraw/zinc/02/49/02/517024902.db2.gz JHNDNOVRXYFPCX-FMKPAKJESA-N 1 0 373.457 2.545 20 5 FFBDRO COc1ccc(CNC(=O)NCC[C@@H](C)[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000541514224 517086996 /nfs/dbraw/zinc/08/69/96/517086996.db2.gz ZOKOOJPHMBHATE-CQSZACIVSA-N 1 0 364.446 2.667 20 5 FFBDRO CCC[C@@H]1CN(CCn2ccc([N+](=O)[O-])n2)CC[N@@H+]1Cc1ccccc1 ZINC000537221231 517094878 /nfs/dbraw/zinc/09/48/78/517094878.db2.gz RPKQIZSDSNBUKC-GOSISDBHSA-N 1 0 357.458 2.778 20 5 FFBDRO Cc1ccc(NCCCNC(=O)c2ccc(C[NH+](C)C)nc2)c([N+](=O)[O-])c1 ZINC000559274846 517148295 /nfs/dbraw/zinc/14/82/95/517148295.db2.gz QLXNQYSAJJZNOX-UHFFFAOYSA-N 1 0 371.441 2.592 20 5 FFBDRO CC[C@H](Cc1ccccc1)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000541740284 517194227 /nfs/dbraw/zinc/19/42/27/517194227.db2.gz KJDSVNFAWOTXEW-MRXNPFEDSA-N 1 0 362.451 2.979 20 5 FFBDRO COc1ccc(CC(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)cc1[N+](=O)[O-] ZINC000532991253 517241312 /nfs/dbraw/zinc/24/13/12/517241312.db2.gz OLPRYROSPSEUFO-INIZCTEOSA-N 1 0 363.458 2.630 20 5 FFBDRO O=C(CCN1CCc2c(cccc2[N+](=O)[O-])C1)c1ccc2c(c1)OCCO2 ZINC000515196010 517248805 /nfs/dbraw/zinc/24/88/05/517248805.db2.gz RLEYEMWLCIEFIT-UHFFFAOYSA-N 1 0 368.389 2.997 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000537628037 517267455 /nfs/dbraw/zinc/26/74/55/517267455.db2.gz BMKMEXAESSCIGY-HNNXBMFYSA-N 1 0 361.442 2.828 20 5 FFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C1CC1)[C@]1(CO)CCCO1 ZINC000559467635 517272549 /nfs/dbraw/zinc/27/25/49/517272549.db2.gz SGJRPMLTJQVSGL-RBUKOAKNSA-N 1 0 364.442 2.792 20 5 FFBDRO COc1ccc(C[NH+](C)C)cc1NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000520093278 517272999 /nfs/dbraw/zinc/27/29/99/517272999.db2.gz XPIJHHPOCDILLP-UHFFFAOYSA-N 1 0 358.398 2.716 20 5 FFBDRO CCc1ccc(C(=O)Nc2cccc(C[N@@H+]3CC[C@H](O)C3)c2)cc1[N+](=O)[O-] ZINC000552516032 517289989 /nfs/dbraw/zinc/28/99/89/517289989.db2.gz GQNIPZIVIVVHTC-SFHVURJKSA-N 1 0 369.421 2.976 20 5 FFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000541924622 517295321 /nfs/dbraw/zinc/29/53/21/517295321.db2.gz HYRXRJHSJBMNJW-HUUCEWRRSA-N 1 0 369.425 2.538 20 5 FFBDRO COc1cc(C)c(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(C)n1 ZINC000541927962 517297176 /nfs/dbraw/zinc/29/71/76/517297176.db2.gz RKOLKZRJJPPAQB-AWEZNQCLSA-N 1 0 357.414 2.697 20 5 FFBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000541941767 517303231 /nfs/dbraw/zinc/30/32/31/517303231.db2.gz GNRJHWBUQSVCHY-LLVKDONJSA-N 1 0 357.357 2.800 20 5 FFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCC[C@@H]1C(=O)NC ZINC000552578204 517312465 /nfs/dbraw/zinc/31/24/65/517312465.db2.gz XIHFKZAYGHMDQF-RDBSUJKOSA-N 1 0 351.472 2.970 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NCC[N@H+](C)Cc2ccccc2)c1 ZINC000548951394 517323470 /nfs/dbraw/zinc/32/34/70/517323470.db2.gz ZYXNKYGNRFEJHU-UHFFFAOYSA-N 1 0 357.410 2.855 20 5 FFBDRO C[C@@H]1CCCC[C@H]1OCC[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000548950112 517323588 /nfs/dbraw/zinc/32/35/88/517323588.db2.gz LGEXOWUBEXZIED-UWWQBHOKSA-N 1 0 352.431 2.519 20 5 FFBDRO C[C@@H](C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000526115949 517351129 /nfs/dbraw/zinc/35/11/29/517351129.db2.gz NTYSQLSCEVBXGZ-ZDUSSCGKSA-N 1 0 366.414 2.901 20 5 FFBDRO O=C(c1cc(NC[C@H]2CC[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000559691114 517376091 /nfs/dbraw/zinc/37/60/91/517376091.db2.gz UIHDHEFMFZHJPY-CQSZACIVSA-N 1 0 358.442 2.727 20 5 FFBDRO CCCCOC1CC[NH+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000542280183 517481904 /nfs/dbraw/zinc/48/19/04/517481904.db2.gz OGMBSYXEHFHOJV-HNNXBMFYSA-N 1 0 352.431 2.616 20 5 FFBDRO Cc1ccc(C(=O)NCC[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000562944540 517521315 /nfs/dbraw/zinc/52/13/15/517521315.db2.gz YYPSCSSHBHBURS-DLBZAZTESA-N 1 0 371.441 2.603 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]Cc1cccc(C(F)(F)F)n1 ZINC000562998498 517570129 /nfs/dbraw/zinc/57/01/29/517570129.db2.gz JQARYQRRGDEZKN-GFCCVEGCSA-N 1 0 371.315 2.538 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]Cc1cccc(C(F)(F)F)n1 ZINC000562998499 517570922 /nfs/dbraw/zinc/57/09/22/517570922.db2.gz JQARYQRRGDEZKN-LBPRGKRZSA-N 1 0 371.315 2.538 20 5 FFBDRO Cc1c([C@@H](C)[NH2+]C[C@@H]2CC(=O)N(C)[C@H]2c2nccn2C)cccc1[N+](=O)[O-] ZINC000556707265 517588890 /nfs/dbraw/zinc/58/88/90/517588890.db2.gz KTWQNRGJSIHTTI-QWQRMKEZSA-N 1 0 371.441 2.507 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCC[N@@H+](C)C2CCCCC2)c1C ZINC000521046106 517592923 /nfs/dbraw/zinc/59/29/23/517592923.db2.gz IWJJOGJUNYECTG-UHFFFAOYSA-N 1 0 369.487 2.754 20 5 FFBDRO CCC(C)(C)[NH2+][C@H](C)C(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000542504101 517598245 /nfs/dbraw/zinc/59/82/45/517598245.db2.gz MPMAVQAYXNYQJS-CQSZACIVSA-N 1 0 350.463 2.988 20 5 FFBDRO CCC(CC)[C@@H](CNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)[NH+]1CCCC1 ZINC000553250850 517602542 /nfs/dbraw/zinc/60/25/42/517602542.db2.gz PYKBMOYJLVXKEO-QGZVFWFLSA-N 1 0 373.457 2.978 20 5 FFBDRO CCN(CCC[NH+](C)C)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000527308443 517628656 /nfs/dbraw/zinc/62/86/56/517628656.db2.gz HBXBNFIXTJCFMJ-UHFFFAOYSA-N 1 0 358.236 2.771 20 5 FFBDRO CCCC[N@H+](CC)Cc1cccc(CNC(=O)c2cc([N+](=O)[O-])n[nH]2)c1 ZINC000556915994 517743911 /nfs/dbraw/zinc/74/39/11/517743911.db2.gz DIGSZKAXTHNISS-UHFFFAOYSA-N 1 0 359.430 2.870 20 5 FFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]Cc1cnn2ccccc12 ZINC000556914171 517744583 /nfs/dbraw/zinc/74/45/83/517744583.db2.gz ZHLBYLIINNAUDJ-ZDUSSCGKSA-N 1 0 353.382 2.749 20 5 FFBDRO CCN(CCC[NH+](CC)CC)C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000530469208 517794666 /nfs/dbraw/zinc/79/46/66/517794666.db2.gz XQRWLBNACZLRFR-UHFFFAOYSA-N 1 0 365.430 2.560 20 5 FFBDRO COc1ccccc1[C@H](CO)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000542909955 517808249 /nfs/dbraw/zinc/80/82/49/517808249.db2.gz CVQWMCRRFWPGLY-KRWDZBQOSA-N 1 0 373.409 2.564 20 5 FFBDRO COc1ccc(CNC(=O)NCC2(C[NH+](C)C)CCCC2)cc1[N+](=O)[O-] ZINC000546758229 517840102 /nfs/dbraw/zinc/84/01/02/517840102.db2.gz TYUUIAYGWXTYLM-UHFFFAOYSA-N 1 0 364.446 2.525 20 5 FFBDRO CC[NH+](CC)CC1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000521791787 517853355 /nfs/dbraw/zinc/85/33/55/517853355.db2.gz FKGZMTCCJDJLAK-UHFFFAOYSA-N 1 0 359.430 2.665 20 5 FFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000530602783 517875564 /nfs/dbraw/zinc/87/55/64/517875564.db2.gz YXRLQWZFJGGEIV-MRXNPFEDSA-N 1 0 362.817 2.984 20 5 FFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000563417335 517892475 /nfs/dbraw/zinc/89/24/75/517892475.db2.gz LUCJDXNTBIANLB-ZWOKBUDYSA-N 1 0 367.449 2.807 20 5 FFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCc1cnc(C2CC2)nc1 ZINC000539042913 517895981 /nfs/dbraw/zinc/89/59/81/517895981.db2.gz BSUXMCYRXYJSLW-CYBMUJFWSA-N 1 0 369.425 2.812 20 5 FFBDRO CC[C@@H](C)C[C@@H](CC)[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000539071440 517902825 /nfs/dbraw/zinc/90/28/25/517902825.db2.gz PKVWYNUREZYJLQ-ZIAGYGMSSA-N 1 0 357.476 2.678 20 5 FFBDRO Cc1nccn1C[C@H](C)C[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000539068137 517902985 /nfs/dbraw/zinc/90/29/85/517902985.db2.gz MCYZCBOCMUOTDH-KGLIPLIRSA-N 1 0 359.430 2.743 20 5 FFBDRO C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000521931416 517905179 /nfs/dbraw/zinc/90/51/79/517905179.db2.gz AHGWVIRQAZSRAV-MRXNPFEDSA-N 1 0 369.421 2.707 20 5 FFBDRO CC(C)CC[C@@H]([NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000563473850 517923977 /nfs/dbraw/zinc/92/39/77/517923977.db2.gz KGJUEWXVBAWSLQ-QGZVFWFLSA-N 1 0 369.487 2.678 20 5 FFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)C2)nc1 ZINC000560729798 517992656 /nfs/dbraw/zinc/99/26/56/517992656.db2.gz OTBMXCOGLQDGPD-IEBWSBKVSA-N 1 0 367.453 2.751 20 5 FFBDRO CCc1ccc(C(=O)Nc2c[nH+]ccc2N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000530833949 518000968 /nfs/dbraw/zinc/00/09/68/518000968.db2.gz ZAIOIVWRKIUPRI-UHFFFAOYSA-N 1 0 369.425 2.556 20 5 FFBDRO CC[NH+](CC)C[C@@H](C)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000522184876 518021205 /nfs/dbraw/zinc/02/12/05/518021205.db2.gz OVTXGXMHTQKBCV-VXGBXAGGSA-N 1 0 357.838 2.862 20 5 FFBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC(Nc2ccccn2)CC1 ZINC000534861855 518059661 /nfs/dbraw/zinc/05/96/61/518059661.db2.gz BYNNNZVBQRPEST-AWEZNQCLSA-N 1 0 369.425 2.893 20 5 FFBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000554115886 518067480 /nfs/dbraw/zinc/06/74/80/518067480.db2.gz WKZNXJZVVOPNJF-YJBOKZPZSA-N 1 0 360.458 2.872 20 5 FFBDRO CC[C@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1c(C)nn(C)c1C ZINC000543454780 518100576 /nfs/dbraw/zinc/10/05/76/518100576.db2.gz JALJKYLRUPRCJO-INIZCTEOSA-N 1 0 371.441 2.575 20 5 FFBDRO O=C(NCC[N@@H+]1CCc2ccccc2C1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000534983621 518106403 /nfs/dbraw/zinc/10/64/03/518106403.db2.gz NOVURJHKMSAGDO-UHFFFAOYSA-N 1 0 364.405 2.864 20 5 FFBDRO CCCC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000522435560 518108271 /nfs/dbraw/zinc/10/82/71/518108271.db2.gz WUYJBAPKJHXHJL-AWEZNQCLSA-N 1 0 373.450 2.667 20 5 FFBDRO C[C@H]1CN(CC[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000539814920 518166533 /nfs/dbraw/zinc/16/65/33/518166533.db2.gz YKMGWZIZLZFPTM-JXFKEZNVSA-N 1 0 355.438 2.995 20 5 FFBDRO O=C(NCc1ccccc1[N+](=O)[O-])[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000522830460 518168273 /nfs/dbraw/zinc/16/82/73/518168273.db2.gz VGABNXYUYUMTTB-QGZVFWFLSA-N 1 0 354.410 2.518 20 5 FFBDRO Cn1cc([C@H](CO)[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)cn1 ZINC000535249681 518170144 /nfs/dbraw/zinc/17/01/44/518170144.db2.gz ALJRZVSNFUOIJY-INIZCTEOSA-N 1 0 358.423 2.880 20 5 FFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CN(Cc3ccccc3)CC[C@H]2CO)c1 ZINC000575368857 518205396 /nfs/dbraw/zinc/20/53/96/518205396.db2.gz WKFYGRWPJYVDAR-ICSRJNTNSA-N 1 0 355.438 2.567 20 5 FFBDRO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC2(CC[NH2+]C2)CC1 ZINC000581308805 518223729 /nfs/dbraw/zinc/22/37/29/518223729.db2.gz HLZUURYSCNKPRG-UHFFFAOYSA-N 1 0 368.231 2.573 20 5 FFBDRO CC(C)Oc1ccccc1C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000581424565 518278937 /nfs/dbraw/zinc/27/89/37/518278937.db2.gz WBLNMRVMEHPVOL-INIZCTEOSA-N 1 0 360.410 2.912 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]Cc2cccc(OC(F)F)c2)c1 ZINC000575796403 518284126 /nfs/dbraw/zinc/28/41/26/518284126.db2.gz ALHUQOXXPWOCAM-AWEZNQCLSA-N 1 0 368.336 2.726 20 5 FFBDRO CC(C)([NH3+])c1noc(COc2ccc([N+](=O)[O-])cc2Br)n1 ZINC000572718498 518328828 /nfs/dbraw/zinc/32/88/28/518328828.db2.gz GJMMBLWSITYRPW-UHFFFAOYSA-N 1 0 357.164 2.513 20 5 FFBDRO O=[N+]([O-])c1cnc(N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c(Br)c1 ZINC000575902773 518336533 /nfs/dbraw/zinc/33/65/33/518336533.db2.gz ZYCSXBFBOVAQEF-WDEREUQCSA-N 1 0 355.236 2.578 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2CC[C@@H]3CCC[C@H]3C2)cc1 ZINC000572870145 518400564 /nfs/dbraw/zinc/40/05/64/518400564.db2.gz DDBDRCMXQDIIGS-SOUVJXGZSA-N 1 0 352.456 2.927 20 5 FFBDRO CN(C)c1ccccc1C[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000576143019 518448621 /nfs/dbraw/zinc/44/86/21/518448621.db2.gz HFHBCJNJDKBSCJ-KRWDZBQOSA-N 1 0 359.426 2.533 20 5 FFBDRO CCc1ccc(S(=O)(=O)NC2CC[NH+](C(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000570158426 518469661 /nfs/dbraw/zinc/46/96/61/518469661.db2.gz RMMBDIKHCZGIGG-UHFFFAOYSA-N 1 0 369.487 2.698 20 5 FFBDRO CSC1(CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC[NH+](C)CC1 ZINC000567407138 518507907 /nfs/dbraw/zinc/50/79/07/518507907.db2.gz DRQAKRPIHRQELU-UHFFFAOYSA-N 1 0 357.863 2.805 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)CNCC(F)(F)c2ccccc2)c1 ZINC000573111954 518512817 /nfs/dbraw/zinc/51/28/17/518512817.db2.gz XAGDQWWJLGGJGA-OAHLLOKOSA-N 1 0 352.337 2.716 20 5 FFBDRO COCC[C@]1([NH2+]CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CCOC1 ZINC000570273498 518526841 /nfs/dbraw/zinc/52/68/41/518526841.db2.gz DJZUATYMEUAAPI-SFHVURJKSA-N 1 0 361.398 2.578 20 5 FFBDRO CC[NH2+]Cc1ccccc1NC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000567453075 518530129 /nfs/dbraw/zinc/53/01/29/518530129.db2.gz MGBCEYMXZHEZJH-UHFFFAOYSA-N 1 0 358.398 2.905 20 5 FFBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000564635200 518535553 /nfs/dbraw/zinc/53/55/53/518535553.db2.gz SFDZWBBCMMAGPP-MRXNPFEDSA-N 1 0 373.457 2.744 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000582012173 518546725 /nfs/dbraw/zinc/54/67/25/518546725.db2.gz YVHSDYPSHLGCJI-OAHLLOKOSA-N 1 0 362.430 2.622 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+]1CCC(CC(F)(F)F)CC1 ZINC000576366775 518558062 /nfs/dbraw/zinc/55/80/62/518558062.db2.gz FTRHGJGGSNBGPV-ZDUSSCGKSA-N 1 0 362.348 2.999 20 5 FFBDRO O=C(Nc1ccc2c(c1)C[NH2+]CCO2)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000582051025 518563763 /nfs/dbraw/zinc/56/37/63/518563763.db2.gz YYFLSXCRHRFEGQ-UHFFFAOYSA-N 1 0 368.393 2.667 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2[C@H]3Cc4ccccc4[C@@H]23)cc1[N+](=O)[O-] ZINC000573289124 518593424 /nfs/dbraw/zinc/59/34/24/518593424.db2.gz QAZJGTXRMOIUBV-CWFSZBLJSA-N 1 0 368.389 2.575 20 5 FFBDRO C[N@@H+]1CCC[C@H](NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000585808422 518614009 /nfs/dbraw/zinc/61/40/09/518614009.db2.gz BRGPOXDCCXBGGP-JTQLQIEISA-N 1 0 357.208 2.573 20 5 FFBDRO CNc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccsc2)cc1[N+](=O)[O-] ZINC000570494591 518633199 /nfs/dbraw/zinc/63/31/99/518633199.db2.gz HHNCMHZHQWQDAO-UHFFFAOYSA-N 1 0 362.455 2.902 20 5 FFBDRO CC(C)(C)[C@H](C[NH3+])NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000564841333 518644676 /nfs/dbraw/zinc/64/46/76/518644676.db2.gz VCHMTVUYNDLLQN-LBPRGKRZSA-N 1 0 363.336 2.639 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]C[C@H](O)COCc1ccccc1 ZINC000564873275 518667562 /nfs/dbraw/zinc/66/75/62/518667562.db2.gz MDUVVWFCBYDJKH-KRWDZBQOSA-N 1 0 364.829 2.958 20 5 FFBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H]2CCN(Cc3ccccc3)C3(CC3)C2)c1 ZINC000564959189 518713924 /nfs/dbraw/zinc/71/39/24/518713924.db2.gz OPJXLOALBWKEQS-QGZVFWFLSA-N 1 0 355.442 2.578 20 5 FFBDRO CCc1ccc(S(=O)(=O)NCc2ccc([C@@H](C)[NH3+])cc2)cc1[N+](=O)[O-] ZINC000564960342 518715270 /nfs/dbraw/zinc/71/52/70/518715270.db2.gz PUEAFGRCPGBAPG-GFCCVEGCSA-N 1 0 363.439 2.655 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCc1ccncc1OCC[NH+](C)C ZINC000573600543 518745294 /nfs/dbraw/zinc/74/52/94/518745294.db2.gz ZZHPNGWTKJHADP-UHFFFAOYSA-N 1 0 373.413 2.560 20 5 FFBDRO CC(C)[C@@H]1C[C@@H](C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c2ccccc21 ZINC000579583595 518749844 /nfs/dbraw/zinc/74/98/44/518749844.db2.gz AFKMBOZMUZOWPK-GMBSWORKSA-N 1 0 358.442 2.669 20 5 FFBDRO C[NH+](C)C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])[nH]1)c1ccc(Cl)cc1 ZINC000565087804 518780083 /nfs/dbraw/zinc/78/00/83/518780083.db2.gz DTWJZVQCSZQNDM-GFCCVEGCSA-N 1 0 350.806 2.652 20 5 FFBDRO O=C1C[C@H](C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CN1C1CC1 ZINC000565098590 518784950 /nfs/dbraw/zinc/78/49/50/518784950.db2.gz MCBIQXPFRWGYDT-IIDMSEBBSA-N 1 0 357.454 2.907 20 5 FFBDRO C[C@@H]1C[C@H](C)N(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000579823985 518873224 /nfs/dbraw/zinc/87/32/24/518873224.db2.gz RQRVXMGECLMRQK-VWYCJHECSA-N 1 0 370.247 2.803 20 5 FFBDRO CSC1(CNC(=O)NCc2cccc([N+](=O)[O-])c2C)CC[NH+](C)CC1 ZINC000582698656 518877262 /nfs/dbraw/zinc/87/72/62/518877262.db2.gz VNUJMPOXTOWWHW-UHFFFAOYSA-N 1 0 366.487 2.530 20 5 FFBDRO C[C@@H](C(=O)N(CC[NH+](C)C)Cc1cccc(O)c1)c1cccc([N+](=O)[O-])c1 ZINC000582702909 518880092 /nfs/dbraw/zinc/88/00/92/518880092.db2.gz OFEQHURUFSKQDN-OAHLLOKOSA-N 1 0 371.437 2.994 20 5 FFBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2[C@H](C)C[N@@H+](CC)C[C@@H]2C)cc1OC ZINC000588997448 518891733 /nfs/dbraw/zinc/89/17/33/518891733.db2.gz YGVCVOQKATTYGA-BETUJISGSA-N 1 0 365.430 2.557 20 5 FFBDRO O=[N+]([O-])c1cc(N2CC[C@@H](C[NH+]3CCOCC3)C2)ccc1C(F)(F)F ZINC000589111383 518918501 /nfs/dbraw/zinc/91/85/01/518918501.db2.gz GUYOXCLMQYRAPW-LBPRGKRZSA-N 1 0 359.348 2.772 20 5 FFBDRO C[C@@H]1CC[C@@H]([N@H+](CCO)CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000589261244 518966401 /nfs/dbraw/zinc/96/64/01/518966401.db2.gz IXUGASHZOAICMV-DGCLKSJQSA-N 1 0 355.822 2.670 20 5 FFBDRO CC(C)Oc1nc(NC2CC[NH+](Cc3ccncc3)CC2)ccc1[N+](=O)[O-] ZINC000577230825 518977540 /nfs/dbraw/zinc/97/75/40/518977540.db2.gz ACFPHZSNDYBEGY-UHFFFAOYSA-N 1 0 371.441 2.670 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(CN2CCC[C@H]2C[NH+]2CCCCC2)c1 ZINC000589497141 519017526 /nfs/dbraw/zinc/01/75/26/519017526.db2.gz DJJOGSZSOAQVRA-KRWDZBQOSA-N 1 0 361.442 2.832 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000589503019 519020487 /nfs/dbraw/zinc/02/04/87/519020487.db2.gz KBQXXXDKKISPMK-OAHLLOKOSA-N 1 0 361.442 2.689 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)CC2(O)CCCCCC2)c1 ZINC000589515073 519021928 /nfs/dbraw/zinc/02/19/28/519021928.db2.gz VGKXYEKJNISLQL-UHFFFAOYSA-N 1 0 350.415 2.899 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000580184050 519049665 /nfs/dbraw/zinc/04/96/65/519049665.db2.gz VBPLNUIAKHGFKQ-IMIFBBOLSA-N 1 0 367.833 2.601 20 5 FFBDRO CN(CCC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1cc[nH+]cc1 ZINC000571354296 519053693 /nfs/dbraw/zinc/05/36/93/519053693.db2.gz YDKSQTMDYDBBJN-UHFFFAOYSA-N 1 0 367.409 2.656 20 5 FFBDRO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000568572041 519104926 /nfs/dbraw/zinc/10/49/26/519104926.db2.gz VDVBEPLBHKUPOV-LLVKDONJSA-N 1 0 351.378 2.807 20 5 FFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@H](O)CN1CCc2ccccc2C1 ZINC000568663993 519154944 /nfs/dbraw/zinc/15/49/44/519154944.db2.gz JPVSIIUWPWZNPC-XLIONFOSSA-N 1 0 367.449 2.591 20 5 FFBDRO CC[N@@H+]1CC[C@H]2OCCN(c3ccc(Br)cc3[N+](=O)[O-])[C@H]2C1 ZINC000590142493 519160115 /nfs/dbraw/zinc/16/01/15/519160115.db2.gz AZDTVHCTKLSXNJ-LSDHHAIUSA-N 1 0 370.247 2.657 20 5 FFBDRO CCC[N@H+](C)[C@@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000574476839 519172903 /nfs/dbraw/zinc/17/29/03/519172903.db2.gz BNEVUNWMDKADFZ-AWEZNQCLSA-N 1 0 365.821 2.784 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2ccc(C3CCCCC3)cc2)c1 ZINC000565888456 519182923 /nfs/dbraw/zinc/18/29/23/519182923.db2.gz MGRFGKJNRCLFEK-IBGZPJMESA-N 1 0 358.442 2.990 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)NC3CC([NH+](C)C)C3)cc2[N+](=O)[O-])C1 ZINC000590355854 519207322 /nfs/dbraw/zinc/20/73/22/519207322.db2.gz JQHUJHQKZGAYLU-IUDNXUCKSA-N 1 0 360.458 2.654 20 5 FFBDRO C[NH+](C)CCOc1cc(CNc2nc3c(cc2[N+](=O)[O-])CCCC3)ccn1 ZINC000571674544 519214873 /nfs/dbraw/zinc/21/48/73/519214873.db2.gz VHTGXTJSKCLVGQ-UHFFFAOYSA-N 1 0 371.441 2.816 20 5 FFBDRO CC[NH+](CC)[C@@H](CNc1nccc(C(=O)OC)c1[N+](=O)[O-])c1ccco1 ZINC000590574861 519271330 /nfs/dbraw/zinc/27/13/30/519271330.db2.gz HTXAZTZCXHTUFA-ZDUSSCGKSA-N 1 0 362.386 2.864 20 5 FFBDRO CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CC[C@@](C)(O)C2)cc1OC ZINC000571792810 519278132 /nfs/dbraw/zinc/27/81/32/519278132.db2.gz PIBGUAVLKWOFLM-SCLBCKFNSA-N 1 0 352.431 2.985 20 5 FFBDRO CC(C)[C@@H]([NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2)[C@@H](CO)C(C)C ZINC000590659170 519305726 /nfs/dbraw/zinc/30/57/26/519305726.db2.gz IOHKOYMZFFILNA-KBXCAEBGSA-N 1 0 352.431 2.745 20 5 FFBDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000590751931 519349397 /nfs/dbraw/zinc/34/93/97/519349397.db2.gz AEWAVRLBUQAQNM-XWIASGKRSA-N 1 0 369.805 2.507 20 5 FFBDRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)c1ccco1 ZINC000580793374 519361158 /nfs/dbraw/zinc/36/11/58/519361158.db2.gz DXCGASLDEZDDQD-ABAIWWIYSA-N 1 0 371.397 2.923 20 5 FFBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000566240056 519386577 /nfs/dbraw/zinc/38/65/77/519386577.db2.gz GOAMIPPPRNIHII-ZBFHGGJFSA-N 1 0 360.458 2.540 20 5 FFBDRO COCC[NH2+]C1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 ZINC000566405650 519473903 /nfs/dbraw/zinc/47/39/03/519473903.db2.gz DNTWYZWPMPFRDI-UHFFFAOYSA-N 1 0 363.439 2.650 20 5 FFBDRO CCOc1cc(NC(=O)NC[C@H]2CCCC[NH2+]2)c([N+](=O)[O-])cc1OCC ZINC000591273455 519568663 /nfs/dbraw/zinc/56/86/63/519568663.db2.gz LMABZGDMKVYOKI-GFCCVEGCSA-N 1 0 366.418 2.656 20 5 FFBDRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)CCn3ccc([N+](=O)[O-])n3)C2)s1 ZINC000569490202 519578486 /nfs/dbraw/zinc/57/84/86/519578486.db2.gz UIIYWASJIRUUDG-OAHLLOKOSA-N 1 0 363.487 2.615 20 5 FFBDRO CC(C)[C@@H]1CCc2ccccc2[C@H]1[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000578436921 519591776 /nfs/dbraw/zinc/59/17/76/519591776.db2.gz NSPKCCBEATWXSH-LNLFQRSKSA-N 1 0 358.442 2.702 20 5 FFBDRO Cc1ccccc1O[C@H](C)C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000572393398 519593043 /nfs/dbraw/zinc/59/30/43/519593043.db2.gz IHGIGFIKDDGNHM-HZPDHXFCSA-N 1 0 360.410 2.700 20 5 FFBDRO CCCC[N@H+](C)C[C@@H](C)NS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000566647461 519593236 /nfs/dbraw/zinc/59/32/36/519593236.db2.gz YIXIYKTVMJLACM-CQSZACIVSA-N 1 0 357.476 2.610 20 5 FFBDRO O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000591439052 519624792 /nfs/dbraw/zinc/62/47/92/519624792.db2.gz RLPXVQBDWLJGRY-IUCAKERBSA-N 1 0 366.290 2.832 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]3CC[NH2+][C@@H]3C2)nc1OCc1ccccc1 ZINC000591436883 519625104 /nfs/dbraw/zinc/62/51/04/519625104.db2.gz CGIOJVLACLVBFE-JKSUJKDBSA-N 1 0 354.410 2.757 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000591451118 519627567 /nfs/dbraw/zinc/62/75/67/519627567.db2.gz OXDGZPRQUATPAJ-HOTGVXAUSA-N 1 0 367.471 2.507 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@H](c3cccnc3)C2)c1 ZINC000602855820 519929354 /nfs/dbraw/zinc/92/93/54/519929354.db2.gz PQYMUTUFHUMHHG-FUHWJXTLSA-N 1 0 357.410 2.609 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCN(C)[C@H](C(C)(C)C)C1 ZINC000602874493 519942031 /nfs/dbraw/zinc/94/20/31/519942031.db2.gz RSYXIKUGLWJYSM-KRWDZBQOSA-N 1 0 362.474 2.894 20 5 FFBDRO COc1cc(C[NH2+][C@H]([C@@H]2CCCO2)C2(CO)CCC2)c([N+](=O)[O-])cc1F ZINC000602889839 519953875 /nfs/dbraw/zinc/95/38/75/519953875.db2.gz DYSFHDMNPULEAS-DOTOQJQBSA-N 1 0 368.405 2.542 20 5 FFBDRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599973155 519979273 /nfs/dbraw/zinc/97/92/73/519979273.db2.gz QPCGWSCSEKEYTF-GXSJLCMTSA-N 1 0 356.220 2.522 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1C ZINC000594483929 519991916 /nfs/dbraw/zinc/99/19/16/519991916.db2.gz LFRNTHYRIAXOME-CABCVRRESA-N 1 0 367.471 2.507 20 5 FFBDRO C[N@H+](CCCCNC(=O)c1c(Br)cccc1[N+](=O)[O-])C1CC1 ZINC000599997518 519993193 /nfs/dbraw/zinc/99/31/93/519993193.db2.gz PKTHJCQFNITACK-UHFFFAOYSA-N 1 0 370.247 2.962 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)NC[C@@H]3CCCC[NH2+]3)cc2[N+](=O)[O-])C1 ZINC000591677936 519994797 /nfs/dbraw/zinc/99/47/97/519994797.db2.gz ZJUZGAFWIMBLBJ-ZBFHGGJFSA-N 1 0 360.458 2.703 20 5 FFBDRO COc1cc(C[NH2+]C[C@@H](C)C(=O)OC(C)(C)C)c([N+](=O)[O-])cc1OC ZINC000594518634 520011521 /nfs/dbraw/zinc/01/15/21/520011521.db2.gz KARACGSMHDJZFK-LLVKDONJSA-N 1 0 354.403 2.679 20 5 FFBDRO CC[C@@H]([NH2+]Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)[C@H]1CCCCO1 ZINC000594519452 520011630 /nfs/dbraw/zinc/01/16/30/520011630.db2.gz KUSSKLBYOYQRLP-GDBMZVCRSA-N 1 0 366.414 2.584 20 5 FFBDRO CC(C)C[C@@H](CNc1ccc([N+](=O)[O-])c(N2CCOCC2)c1F)[NH+](C)C ZINC000594543133 520017677 /nfs/dbraw/zinc/01/76/77/520017677.db2.gz YWNJAYUTGXINNV-AWEZNQCLSA-N 1 0 368.453 2.959 20 5 FFBDRO C[C@@H](C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1cccs1 ZINC000591744281 520019221 /nfs/dbraw/zinc/01/92/21/520019221.db2.gz OAYVJUYKRXCRLI-CYBMUJFWSA-N 1 0 368.480 2.898 20 5 FFBDRO C[C@]1(c2ccccc2)C[C@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000591744337 520019289 /nfs/dbraw/zinc/01/92/89/520019289.db2.gz VAHSUEVNNBPHDM-QZTJIDSGSA-N 1 0 360.435 2.688 20 5 FFBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c(F)c1N1CCOCC1 ZINC000594546558 520019411 /nfs/dbraw/zinc/01/94/11/520019411.db2.gz QXCBIEZVVQGJOM-KBPBESRZSA-N 1 0 364.421 2.609 20 5 FFBDRO CC(C)(C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCCCO1 ZINC000591753720 520022889 /nfs/dbraw/zinc/02/28/89/520022889.db2.gz GSNRPPSKWKEGBJ-WBVHZDCISA-N 1 0 352.431 2.519 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CCOc1ccccc1Cl ZINC000591756966 520024659 /nfs/dbraw/zinc/02/46/59/520024659.db2.gz JXRCAQGDPLRVHL-CYBMUJFWSA-N 1 0 366.801 2.657 20 5 FFBDRO O=C(NCC12CCC[NH+]1CCC2)c1ccc(Br)cc1[N+](=O)[O-] ZINC000597586449 520121518 /nfs/dbraw/zinc/12/15/18/520121518.db2.gz CWQLXRDKKZHLOI-UHFFFAOYSA-N 1 0 368.231 2.716 20 5 FFBDRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000597606074 520131904 /nfs/dbraw/zinc/13/19/04/520131904.db2.gz UGJOWSRXPGSRPW-TZMCWYRMSA-N 1 0 369.849 2.958 20 5 FFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000600311267 520197599 /nfs/dbraw/zinc/19/75/99/520197599.db2.gz ONCJQALHURYYPL-KGLIPLIRSA-N 1 0 351.472 2.924 20 5 FFBDRO COc1ccc(CNC(=O)NC[C@@H](C(C)C)[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000609211786 520232495 /nfs/dbraw/zinc/23/24/95/520232495.db2.gz VQRNMIIMVSRQGY-INIZCTEOSA-N 1 0 364.446 2.523 20 5 FFBDRO NC(=O)c1ccc(C[N@@H+]2CCCO[C@@H](c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000609234154 520241308 /nfs/dbraw/zinc/24/13/08/520241308.db2.gz SZXPDEWFIAXIKX-GOSISDBHSA-N 1 0 355.394 2.657 20 5 FFBDRO Cn1cc(C[NH2+]Cc2c(C3CC3)cnn2C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000594985383 520244442 /nfs/dbraw/zinc/24/44/42/520244442.db2.gz MANKJBMCICINEH-UHFFFAOYSA-N 1 0 366.425 2.896 20 5 FFBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]C[C@@H]1CCN1Cc1ccccc1)OCCO2 ZINC000594998940 520249959 /nfs/dbraw/zinc/24/99/59/520249959.db2.gz MLSGKUPOKPZIBG-KRWDZBQOSA-N 1 0 369.421 2.730 20 5 FFBDRO O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000600469259 520279166 /nfs/dbraw/zinc/27/91/66/520279166.db2.gz IOCBOUOOXLWJTK-MRXNPFEDSA-N 1 0 369.425 2.732 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000597854307 520283786 /nfs/dbraw/zinc/28/37/86/520283786.db2.gz FXPFOVSXLHHFSK-CQSZACIVSA-N 1 0 371.441 2.631 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000597859771 520285747 /nfs/dbraw/zinc/28/57/47/520285747.db2.gz HMJLXHMXJNLUJW-CYBMUJFWSA-N 1 0 358.442 2.855 20 5 FFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC1(O)CCC(F)(F)CC1 ZINC000595093287 520291775 /nfs/dbraw/zinc/29/17/75/520291775.db2.gz HNGWNMQMAXRRNM-GFCCVEGCSA-N 1 0 371.384 2.842 20 5 FFBDRO CC(C)[NH2+][C@@H]1CCCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000609385554 520300995 /nfs/dbraw/zinc/30/09/95/520300995.db2.gz AXBNMBMXOLYVSN-CYBMUJFWSA-N 1 0 354.838 2.649 20 5 FFBDRO C[C@@H]1C[N@@H+](CCCNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C[C@H](C)O1 ZINC000603784732 520359468 /nfs/dbraw/zinc/35/94/68/520359468.db2.gz JYJMPGQXXZKQHF-BETUJISGSA-N 1 0 361.398 2.570 20 5 FFBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000595226651 520361016 /nfs/dbraw/zinc/36/10/16/520361016.db2.gz XOGYRJLOEBKJPC-LIRRHRJNSA-N 1 0 370.453 2.999 20 5 FFBDRO O=C(NCc1cccc([N+](=O)[O-])c1)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000595233971 520365394 /nfs/dbraw/zinc/36/53/94/520365394.db2.gz CZATXHBUQBVYOL-QGZVFWFLSA-N 1 0 356.382 2.577 20 5 FFBDRO CC(C)[NH2+][C@H]1CCCN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C1 ZINC000609595668 520370704 /nfs/dbraw/zinc/37/07/04/520370704.db2.gz YMQIUYWZMVXMBK-HNNXBMFYSA-N 1 0 360.458 2.798 20 5 FFBDRO C[C@@H]1CCCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)[C@@H]1CCC[NH3+] ZINC000595257887 520377489 /nfs/dbraw/zinc/37/74/89/520377489.db2.gz BLQGEONUMWKJDJ-RDTXWAMCSA-N 1 0 371.441 2.760 20 5 FFBDRO Cc1sc(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000595268795 520379731 /nfs/dbraw/zinc/37/97/31/520379731.db2.gz LHFLLYGVXZKYDP-ZIAGYGMSSA-N 1 0 363.414 2.979 20 5 FFBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000595270487 520381159 /nfs/dbraw/zinc/38/11/59/520381159.db2.gz WVWTYJCHGVPMMB-SJLPKXTDSA-N 1 0 368.437 2.659 20 5 FFBDRO COc1cc(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)cc([N+](=O)[O-])c1C ZINC000595269811 520382243 /nfs/dbraw/zinc/38/22/43/520382243.db2.gz SKLJWQIJNVPICJ-IAGOWNOFSA-N 1 0 369.421 2.787 20 5 FFBDRO C[C@@H]1CN(CC[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C[C@H](C)O1 ZINC000595331953 520413744 /nfs/dbraw/zinc/41/37/44/520413744.db2.gz ZMVOZCSOMPNJSW-IYBDPMFKSA-N 1 0 363.458 2.547 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H](CO)[C@H](C)c1ccccc1 ZINC000613389277 520478292 /nfs/dbraw/zinc/47/82/92/520478292.db2.gz HTXWLXUNUSOCSJ-GDBMZVCRSA-N 1 0 357.410 2.596 20 5 FFBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@H](CO)[C@H](C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000613389178 520478878 /nfs/dbraw/zinc/47/88/78/520478878.db2.gz KHAFNDDJALRQHU-QIIPPGSGSA-N 1 0 371.437 2.984 20 5 FFBDRO CN(CC[NH+]1CCN(c2ccccc2)CC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000609965095 520491455 /nfs/dbraw/zinc/49/14/55/520491455.db2.gz TZZSZVXXDXHWML-UHFFFAOYSA-N 1 0 358.417 2.992 20 5 FFBDRO COc1ccc(-c2ccc(C[NH2+][C@@H]3CC(=O)N(C(C)C)C3)o2)c([N+](=O)[O-])c1 ZINC000610010141 520505636 /nfs/dbraw/zinc/50/56/36/520505636.db2.gz XJCMXQMKKZLNDI-CYBMUJFWSA-N 1 0 373.409 2.962 20 5 FFBDRO COC[C@@H](CCO)[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000610089949 520535665 /nfs/dbraw/zinc/53/56/65/520535665.db2.gz GHUFNIUPIIUNRC-MRXNPFEDSA-N 1 0 359.426 2.850 20 5 FFBDRO CN(C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000610104851 520540246 /nfs/dbraw/zinc/54/02/46/520540246.db2.gz YUNOXEBULLVPOX-SFHVURJKSA-N 1 0 360.458 2.796 20 5 FFBDRO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000610129633 520552191 /nfs/dbraw/zinc/55/21/91/520552191.db2.gz VOVCXNLGXULQHT-NEPJUHHUSA-N 1 0 351.378 2.949 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000610180978 520569821 /nfs/dbraw/zinc/56/98/21/520569821.db2.gz NDBXCYOFGQIESX-UHFFFAOYSA-N 1 0 353.422 2.732 20 5 FFBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CCC(C[NH+]2CCCC2)CC1 ZINC000604485124 520575919 /nfs/dbraw/zinc/57/59/19/520575919.db2.gz KQUDYFLFEYCODQ-UHFFFAOYSA-N 1 0 370.453 2.884 20 5 FFBDRO C[C@@H](NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])c1nccn1C ZINC000598459299 520628666 /nfs/dbraw/zinc/62/86/66/520628666.db2.gz HEKVMINDPMLWBF-SNVBAGLBSA-N 1 0 352.778 2.628 20 5 FFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](n1cncn1)C(F)(F)F ZINC000601144369 520657689 /nfs/dbraw/zinc/65/76/89/520657689.db2.gz SSSTZLDWAAGRHX-GJIAFCOMSA-N 1 0 355.320 2.983 20 5 FFBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCC1CC[NH+](CC2CC2)CC1 ZINC000598539345 520688823 /nfs/dbraw/zinc/68/88/23/520688823.db2.gz CSZCBRSBKXFWOS-UHFFFAOYSA-N 1 0 370.453 2.857 20 5 FFBDRO COc1cc(C(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)cc([N+](=O)[O-])c1C ZINC000598559358 520705602 /nfs/dbraw/zinc/70/56/02/520705602.db2.gz GFKCGYMGXCDWOK-HNNXBMFYSA-N 1 0 361.442 2.764 20 5 FFBDRO COc1ccc(OCC[NH2+][C@@H]2CCC[C@H]2Cc2cnn(C)c2)c([N+](=O)[O-])c1 ZINC000595768214 520709628 /nfs/dbraw/zinc/70/96/28/520709628.db2.gz FSSKXLTVUGNVBS-DOTOQJQBSA-N 1 0 374.441 2.717 20 5 FFBDRO CC[C@H]1COC(C)(C)C[N@@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000593058752 520715221 /nfs/dbraw/zinc/71/52/21/520715221.db2.gz NRBPGDCDCXQXNU-ZDUSSCGKSA-N 1 0 363.414 2.782 20 5 FFBDRO CC(C)(C)O[C@@H]1C[C@@H]([NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C12CCC2 ZINC000595779128 520717412 /nfs/dbraw/zinc/71/74/12/520717412.db2.gz ZKUJSPPKMSVNDN-HZPDHXFCSA-N 1 0 361.442 2.910 20 5 FFBDRO COc1cc(C[NH2+][C@H]2C[C@H](O)C23CCC3)c([N+](=O)[O-])cc1OCC(F)F ZINC000595781563 520719178 /nfs/dbraw/zinc/71/91/78/520719178.db2.gz MJVYTJMZUCCMSY-GJZGRUSLSA-N 1 0 372.368 2.640 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1CCC([C@@H]2CCCCO2)CC1 ZINC000595785766 520723673 /nfs/dbraw/zinc/72/36/73/520723673.db2.gz ZHLKHVVUHMABQS-AEFFLSMTSA-N 1 0 364.442 2.616 20 5 FFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](n1cncn1)C(F)(F)F ZINC000601293001 520727886 /nfs/dbraw/zinc/72/78/86/520727886.db2.gz AKPMBZUHYAHHCU-FZMZJTMJSA-N 1 0 357.336 2.901 20 5 FFBDRO CC(C)[NH2+][C@H]1CCCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000610573186 520744245 /nfs/dbraw/zinc/74/42/45/520744245.db2.gz QMEDSBLVPRGLNV-LBPRGKRZSA-N 1 0 370.247 2.960 20 5 FFBDRO O=C(CC[N@@H+]1CCOC(C2CC2)(C2CC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000595822145 520746970 /nfs/dbraw/zinc/74/69/70/520746970.db2.gz NMALMADNLHGDOM-UHFFFAOYSA-N 1 0 359.426 2.814 20 5 FFBDRO COc1ccc(NC(=O)CN2CC[C@@H](Oc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000595834057 520755682 /nfs/dbraw/zinc/75/56/82/520755682.db2.gz XXYHAYYSLFTFHW-MRXNPFEDSA-N 1 0 371.393 2.695 20 5 FFBDRO COc1cc(C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000595836688 520757208 /nfs/dbraw/zinc/75/72/08/520757208.db2.gz YEEMWFUUHDQLHZ-YPMHNXCESA-N 1 0 372.368 2.716 20 5 FFBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000595862420 520775809 /nfs/dbraw/zinc/77/58/09/520775809.db2.gz ZFFMVEQVCXSMIM-UHFFFAOYSA-N 1 0 374.485 2.901 20 5 FFBDRO CCCN(C)CC(C)(C)[NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000595874615 520782548 /nfs/dbraw/zinc/78/25/48/520782548.db2.gz WGORHDPJDMZXKA-UHFFFAOYSA-N 1 0 350.463 2.942 20 5 FFBDRO COc1cc(CN2C[C@H]3CCC[C@]3([NH3+])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000598684402 520786259 /nfs/dbraw/zinc/78/62/59/520786259.db2.gz WTSSYMUKMFSGGP-BZNIZROVSA-N 1 0 357.357 2.518 20 5 FFBDRO [NH3+]C[C@H]1CCc2ccccc2N1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000595903489 520809906 /nfs/dbraw/zinc/80/99/06/520809906.db2.gz VIPGDHCAFUOVFL-OAHLLOKOSA-N 1 0 354.410 2.704 20 5 FFBDRO CCC1([NH+](C)C)CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000601504146 520816179 /nfs/dbraw/zinc/81/61/79/520816179.db2.gz ZSHLIYMDFMFZKK-UHFFFAOYSA-N 1 0 369.487 2.707 20 5 FFBDRO [NH3+]C[C@H]1CCCc2ccc(C(=O)Nc3n[nH]c4ccc([N+](=O)[O-])cc43)cc21 ZINC000595926364 520828125 /nfs/dbraw/zinc/82/81/25/520828125.db2.gz KSXARXNTVFTPFP-CYBMUJFWSA-N 1 0 365.393 2.524 20 5 FFBDRO O=C(N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)C1([NH2+]C2CC2)CCC1 ZINC000595940463 520834534 /nfs/dbraw/zinc/83/45/34/520834534.db2.gz RJJAEMCCPRHDFP-UHFFFAOYSA-N 1 0 359.426 2.639 20 5 FFBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)NCC34CC(C3)C[NH2+]4)cc2[N+](=O)[O-])C1 ZINC000595951757 520835794 /nfs/dbraw/zinc/83/57/94/520835794.db2.gz QSTYFXCCBRNHRD-VUFQOXLZSA-N 1 0 372.469 2.559 20 5 FFBDRO [NH3+]C[C@@H]1Cc2ccccc2N(C(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000601552609 520837239 /nfs/dbraw/zinc/83/72/39/520837239.db2.gz VHPLXXGKUAOLJR-AWEZNQCLSA-N 1 0 355.394 2.528 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000610816237 520854393 /nfs/dbraw/zinc/85/43/93/520854393.db2.gz DWNGGWFKWYHZKW-CABCVRRESA-N 1 0 368.437 2.932 20 5 FFBDRO CC(C)[C@H](O)[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000596065713 520889845 /nfs/dbraw/zinc/88/98/45/520889845.db2.gz KVGJZYRPBWMKDO-RLLQIKCJSA-N 1 0 374.437 2.682 20 5 FFBDRO COC(=O)c1c(Cl)c(NC[C@@H]2CC[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000596079594 520899350 /nfs/dbraw/zinc/89/93/50/520899350.db2.gz UBCUEZRNKCCSID-JTQLQIEISA-N 1 0 353.806 2.931 20 5 FFBDRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(c2c(Cl)cncc2[N+](=O)[O-])CC1 ZINC000596097229 520908834 /nfs/dbraw/zinc/90/88/34/520908834.db2.gz DDAPGJJWZOTWPT-KBPBESRZSA-N 1 0 367.881 2.638 20 5 FFBDRO CCC1([NH+]2CCCC2)CCN(C(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000601745845 520930115 /nfs/dbraw/zinc/93/01/15/520930115.db2.gz ZRRIPBXPXHTPOV-UHFFFAOYSA-N 1 0 361.442 2.841 20 5 FFBDRO CCn1c(CC[NH3+])nnc1Sc1cc(OC)c([N+](=O)[O-])cc1Cl ZINC000596149662 520939887 /nfs/dbraw/zinc/93/98/87/520939887.db2.gz YJSXSMDAVBZECP-UHFFFAOYSA-N 1 0 357.823 2.521 20 5 FFBDRO CN(CC[NH+]1CCCCC1)C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000593409269 520972733 /nfs/dbraw/zinc/97/27/33/520972733.db2.gz WZNAWUVQQOAWEZ-UHFFFAOYSA-N 1 0 373.457 2.746 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@H+](Cc3cccc(C)c3)C2)c1 ZINC000601849882 520985182 /nfs/dbraw/zinc/98/51/82/520985182.db2.gz LLBCPPOIHSDNEY-MRXNPFEDSA-N 1 0 369.421 2.916 20 5 FFBDRO COC(=O)c1cc(N2CC[C@H](C3CC[NH+](C)CC3)C2)cc(C)c1[N+](=O)[O-] ZINC000611116284 520992597 /nfs/dbraw/zinc/99/25/97/520992597.db2.gz XVMQFONYGBLICQ-HNNXBMFYSA-N 1 0 361.442 2.858 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC(CO)([NH2+]CC3CC3)CC2)cc1C(F)(F)F ZINC000596265069 521000113 /nfs/dbraw/zinc/00/01/13/521000113.db2.gz OEHJGZZWNNATOC-UHFFFAOYSA-N 1 0 373.375 2.945 20 5 FFBDRO O=[N+]([O-])c1ccc2c(ccnc2N2CCC([N@@H+]3CCCOCC3)CC2)c1 ZINC000596269373 521001720 /nfs/dbraw/zinc/00/17/20/521001720.db2.gz SAHSKQIIFRBGTI-UHFFFAOYSA-N 1 0 356.426 2.834 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@H]2CCCN2CC(F)F)n1 ZINC000599065351 521010636 /nfs/dbraw/zinc/01/06/36/521010636.db2.gz KIZITTDUJSPJRE-MGPQQGTHSA-N 1 0 357.405 2.594 20 5 FFBDRO O=[N+]([O-])c1cnc2ccccc2c1NCC1CC[NH+](C2CCOCC2)CC1 ZINC000596317267 521023835 /nfs/dbraw/zinc/02/38/35/521023835.db2.gz XKBOWZGNVMFWBI-UHFFFAOYSA-N 1 0 370.453 2.868 20 5 FFBDRO C[C@@H]([NH2+]CC(=O)Nc1ccc2c(c1)OCCO2)c1ccc([N+](=O)[O-])cc1 ZINC000599087809 521025231 /nfs/dbraw/zinc/02/52/31/521025231.db2.gz LVVURNQHUHDQBS-GFCCVEGCSA-N 1 0 357.366 2.655 20 5 FFBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCO[C@@H]2c2nc(C)no2)cc1[N+](=O)[O-] ZINC000599093787 521029204 /nfs/dbraw/zinc/02/92/04/521029204.db2.gz VUJSXZWHUTZLRM-ZXIHIIQKSA-N 1 0 362.386 2.866 20 5 FFBDRO C[N@@H+]1CCN(c2ncnc3sc([N+](=O)[O-])cc32)[C@@H](Cc2ccccc2)C1 ZINC000593503891 521036575 /nfs/dbraw/zinc/03/65/75/521036575.db2.gz MFHPXVYTGFJWRZ-AWEZNQCLSA-N 1 0 369.450 2.963 20 5 FFBDRO C[C@](O)(C[C@@H](O)C[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C1CC1 ZINC000601966126 521045296 /nfs/dbraw/zinc/04/52/96/521045296.db2.gz PZOBNKWUYGXIKI-CABCVRRESA-N 1 0 362.348 2.615 20 5 FFBDRO CC1([NH+]2CCOCC2)CCN(c2ccnc3c2cccc3[N+](=O)[O-])CC1 ZINC000599159593 521063330 /nfs/dbraw/zinc/06/33/30/521063330.db2.gz CPRBOCKSBMFCAR-UHFFFAOYSA-N 1 0 356.426 2.834 20 5 FFBDRO O=[N+]([O-])c1cc2c(cc1CN1CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C1)OCCO2 ZINC000611287366 521081550 /nfs/dbraw/zinc/08/15/50/521081550.db2.gz ZUDJVJXEWWGKGD-WMLDXEAASA-N 1 0 373.453 2.815 20 5 FFBDRO Cn1ccnc1[C@H](N[C@H]1CC[NH2+]CC(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000602023513 521084862 /nfs/dbraw/zinc/08/48/62/521084862.db2.gz YVCWCIGIOUADBV-DOTOQJQBSA-N 1 0 357.458 2.786 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000596627176 521173867 /nfs/dbraw/zinc/17/38/67/521173867.db2.gz VYYMSKBJYMHVNI-GFCCVEGCSA-N 1 0 350.419 2.845 20 5 FFBDRO C[NH+](C)C1CCN(c2ccc(NCc3ccc([N+](=O)[O-])cc3F)nc2)CC1 ZINC000611491429 521185371 /nfs/dbraw/zinc/18/53/71/521185371.db2.gz CMCUOWDYWTUQOR-UHFFFAOYSA-N 1 0 373.432 2.693 20 5 FFBDRO CC(C)C[N@H+](C)CCCNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000593755744 521195520 /nfs/dbraw/zinc/19/55/20/521195520.db2.gz MGKMEXPLPIAHRS-UHFFFAOYSA-N 1 0 360.414 2.556 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](C)[C@H]2CC[NH3+])cc1SC ZINC000593934338 521299619 /nfs/dbraw/zinc/29/96/19/521299619.db2.gz MLAQRKWELZPPPV-DGCLKSJQSA-N 1 0 367.471 2.915 20 5 FFBDRO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N[C@H]1CC[NH2+]C12CCC2 ZINC000599604857 521327924 /nfs/dbraw/zinc/32/79/24/521327924.db2.gz UDADVCKIWHXUSU-LBPRGKRZSA-N 1 0 369.219 2.763 20 5 FFBDRO CCN(Cc1cn(C)nc1[N+](=O)[O-])[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000602448276 521350798 /nfs/dbraw/zinc/35/07/98/521350798.db2.gz ICMYMDCATPMEAJ-MAUKXSAKSA-N 1 0 357.458 2.986 20 5 FFBDRO CC[C@@H]([NH2+]CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000594042698 521368846 /nfs/dbraw/zinc/36/88/46/521368846.db2.gz NPADUKBAPPVKTP-PBHICJAKSA-N 1 0 365.430 2.869 20 5 FFBDRO [NH3+]CC[C@H]1CCCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000602488889 521374600 /nfs/dbraw/zinc/37/46/00/521374600.db2.gz BJBBTOITCMLMKU-SNVBAGLBSA-N 1 0 356.220 2.558 20 5 FFBDRO COCCOCCC[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602514285 521387522 /nfs/dbraw/zinc/38/75/22/521387522.db2.gz SJJJZPJYKLZRJY-UHFFFAOYSA-N 1 0 353.238 2.562 20 5 FFBDRO CCCOc1ccc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cn1 ZINC000602516633 521389702 /nfs/dbraw/zinc/38/97/02/521389702.db2.gz OSGRCKFUESSHLR-UHFFFAOYSA-N 1 0 371.441 2.932 20 5 FFBDRO CC[C@H](C)NC(=O)CC[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602519702 521392427 /nfs/dbraw/zinc/39/24/27/521392427.db2.gz HZSKTYKNKHBRSW-QMMMGPOBSA-N 1 0 364.265 2.813 20 5 FFBDRO COc1ccc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c(OC)c1 ZINC000602517632 521393253 /nfs/dbraw/zinc/39/32/53/521393253.db2.gz IADKLPNOFXSUON-UHFFFAOYSA-N 1 0 372.425 2.766 20 5 FFBDRO COC[C@H](C)[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CCc2ccccc21 ZINC000599682860 521398762 /nfs/dbraw/zinc/39/87/62/521398762.db2.gz MHUKSMGVPWCPIY-HNAYVOBHSA-N 1 0 371.437 2.781 20 5 FFBDRO [NH3+]C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[C@H]1C(F)(F)F ZINC000602538950 521401293 /nfs/dbraw/zinc/40/12/93/521401293.db2.gz GAHJESNXDQRPSO-LDYMZIIASA-N 1 0 365.739 2.848 20 5 FFBDRO CCOc1ncccc1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602592088 521427101 /nfs/dbraw/zinc/42/71/01/521427101.db2.gz ICXWKLZHXHLMTK-UHFFFAOYSA-N 1 0 357.414 2.542 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@@H]3CCCCN3C3CC3)CC2)cn1 ZINC000602634643 521450106 /nfs/dbraw/zinc/45/01/06/521450106.db2.gz UGIBCYCARPPSGP-SFHVURJKSA-N 1 0 359.474 2.565 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3[C@@H]4Cc5ccccc5[C@@H]43)CC2)cn1 ZINC000602661039 521466961 /nfs/dbraw/zinc/46/69/61/521466961.db2.gz BOMCWAKIFOUSMW-YZGWKJHDSA-N 1 0 350.422 2.887 20 5 FFBDRO C[N@@H+]1CC[C@]2(CCN(Cc3cc(Br)c([N+](=O)[O-])s3)C2)C1 ZINC000602670639 521471605 /nfs/dbraw/zinc/47/16/05/521471605.db2.gz AXUBEWUDUXNMMI-ZDUSSCGKSA-N 1 0 360.277 2.946 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@H]3CCOC4(CCC4)C3)CC2)cn1 ZINC000602676808 521475377 /nfs/dbraw/zinc/47/53/77/521475377.db2.gz RJKKDDQWQRHAFN-HNNXBMFYSA-N 1 0 360.458 2.898 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H](C3CC3)[C@H]3CCCCO3)CC2)cn1 ZINC000602705108 521487373 /nfs/dbraw/zinc/48/73/73/521487373.db2.gz KTRJKTGVOMEYNQ-IEBWSBKVSA-N 1 0 360.458 2.896 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H](C3CC3)[C@@H]3CCCCO3)CC2)cn1 ZINC000602705110 521488003 /nfs/dbraw/zinc/48/80/03/521488003.db2.gz KTRJKTGVOMEYNQ-PKOBYXMFSA-N 1 0 360.458 2.896 20 5 FFBDRO Cc1cnc(CC[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c(C)c1 ZINC000602708107 521490299 /nfs/dbraw/zinc/49/02/99/521490299.db2.gz WEYXRBOCAYHVNY-UHFFFAOYSA-N 1 0 355.442 2.803 20 5 FFBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)C1 ZINC000597091221 521495673 /nfs/dbraw/zinc/49/56/73/521495673.db2.gz YRYFRYYHEZFXMZ-JTQLQIEISA-N 1 0 355.826 2.684 20 5 FFBDRO CN(CC[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)CC(F)F ZINC000602728941 521499824 /nfs/dbraw/zinc/49/98/24/521499824.db2.gz FATRAPDUSAGPCB-UHFFFAOYSA-N 1 0 358.208 2.705 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(Oc2ccc(F)cc2F)CC1 ZINC000602764602 521519441 /nfs/dbraw/zinc/51/94/41/521519441.db2.gz GBYAQGAATIGYRT-UHFFFAOYSA-N 1 0 366.368 2.921 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@](C)(CO)c1cccc(C(F)(F)F)c1 ZINC000602778075 521526983 /nfs/dbraw/zinc/52/69/83/521526983.db2.gz DXRFWIUEOUMKKH-HNNXBMFYSA-N 1 0 372.347 2.616 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CCN1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000602837271 521562106 /nfs/dbraw/zinc/56/21/06/521562106.db2.gz KRYJWHCHNDCYMI-UHFFFAOYSA-N 1 0 351.495 2.932 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)NCC23CCC[NH+]2CCC3)cc1SC ZINC000619573910 521776781 /nfs/dbraw/zinc/77/67/81/521776781.db2.gz CQQDQCSGWBRREU-UHFFFAOYSA-N 1 0 365.455 2.684 20 5 FFBDRO CC(C)[C@@H]1CN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC[NH2+]1 ZINC000621149951 522660226 /nfs/dbraw/zinc/66/02/26/522660226.db2.gz TTWNCHROASXCBW-SFHVURJKSA-N 1 0 363.461 2.611 20 5 FFBDRO CCCC[N@H+](CC)Cc1cccc(CNc2ncc([N+](=O)[O-])c(N)n2)c1 ZINC000471744159 561011232 /nfs/dbraw/zinc/01/12/32/561011232.db2.gz CHKMZSSLMWAOAD-UHFFFAOYSA-N 1 0 358.446 2.623 20 5 FFBDRO C[N@@H+]1CC[C@H](Nc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000826028463 607968000 /nfs/dbraw/zinc/96/80/00/607968000.db2.gz APOUIAIRWJQIHV-RDJZCZTQSA-N 1 0 365.397 2.632 20 5 FFBDRO O=[N+]([O-])c1ccc(C[NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)c(Cl)c1 ZINC000826498148 608131764 /nfs/dbraw/zinc/13/17/64/608131764.db2.gz IWPXPKBTTJRXAL-UHFFFAOYSA-N 1 0 374.788 2.597 20 5 FFBDRO COc1ccc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)cc1-c1nn[nH]n1 ZINC000826201644 608286593 /nfs/dbraw/zinc/28/65/93/608286593.db2.gz AEDWKIFOGYRUTJ-LBPRGKRZSA-N 1 0 368.397 2.943 20 5 FFBDRO C[C@H]([NH2+]CCOc1ccccc1-c1nn[nH]n1)c1cccc([N+](=O)[O-])c1 ZINC000824600199 608470093 /nfs/dbraw/zinc/47/00/93/608470093.db2.gz XSYSDDMNWGBVKN-LBPRGKRZSA-N 1 0 354.370 2.505 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC000826497562 609345856 /nfs/dbraw/zinc/34/58/56/609345856.db2.gz LNDMMBCWZRNROR-UHFFFAOYSA-N 1 0 364.818 2.822 20 5 FFBDRO CC(C)C[NH+]1CCN(c2ccc(-c3ccc(F)c([N+](=O)[O-])c3)nn2)CC1 ZINC001164657402 719339020 /nfs/dbraw/zinc/33/90/20/719339020.db2.gz KIEURJIRZCFHNX-UHFFFAOYSA-N 1 0 359.405 2.969 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001165045961 721966008 /nfs/dbraw/zinc/96/60/08/721966008.db2.gz FHSFIQCBELKTOM-CQSZACIVSA-N 1 0 362.430 2.621 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CCCC[C@@H]2CC[NH+]2CCCC2)n1 ZINC001165047962 721978915 /nfs/dbraw/zinc/97/89/15/721978915.db2.gz BWUHSZRTPKVKOB-CQSZACIVSA-N 1 0 362.430 2.621 20 5 FFBDRO Nc1nc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)ccc1[N+](=O)[O-] ZINC001164996749 722202675 /nfs/dbraw/zinc/20/26/75/722202675.db2.gz WIYKKBDUHNENMZ-IBGZPJMESA-N 1 0 371.416 2.956 20 5 FFBDRO CC[C@H](C(=O)O[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+](CC)CC ZINC000745093536 735398720 /nfs/dbraw/zinc/39/87/20/735398720.db2.gz HKTRYMWKPUUZJD-SWLSCSKDSA-N 1 0 351.403 2.585 20 5 FFBDRO CC(C)[NH2+]C1CCN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000108371038 728521208 /nfs/dbraw/zinc/52/12/08/728521208.db2.gz AIGZWFASCIOQJT-UHFFFAOYSA-N 1 0 354.838 2.649 20 5 FFBDRO CC[C@](C)(CC(=O)OC)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000134111359 728728702 /nfs/dbraw/zinc/72/87/02/728728702.db2.gz DVRIVTOZHBLURV-OAHLLOKOSA-N 1 0 357.794 2.508 20 5 FFBDRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000165939913 728975032 /nfs/dbraw/zinc/97/50/32/728975032.db2.gz QDZUGFPXTCISMT-NOZJJQNGSA-N 1 0 356.220 2.605 20 5 FFBDRO O=[N+]([O-])c1ccc(F)cc1CN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173950786 729058477 /nfs/dbraw/zinc/05/84/77/729058477.db2.gz VKRJJGGBMGEUPQ-UHFFFAOYSA-N 1 0 351.422 2.811 20 5 FFBDRO CC(C)C[N@H+](CCn1ccc([N+](=O)[O-])n1)C[C@H](O)c1ccc(F)cc1 ZINC000176248181 729112987 /nfs/dbraw/zinc/11/29/87/729112987.db2.gz GQRZCDXWLXJXSM-INIZCTEOSA-N 1 0 350.394 2.622 20 5 FFBDRO CCOC(=O)N1CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000194855844 729522989 /nfs/dbraw/zinc/52/29/89/729522989.db2.gz WPVXDQSYKACWQL-UHFFFAOYSA-N 1 0 351.403 2.528 20 5 FFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](C[C@@H](O)c3cccc(Cl)c3)C2)nc1 ZINC000245459830 729570133 /nfs/dbraw/zinc/57/01/33/729570133.db2.gz VNGRFLOADNRNHV-GDBMZVCRSA-N 1 0 362.817 2.863 20 5 FFBDRO CCO[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000759172973 736552740 /nfs/dbraw/zinc/55/27/40/736552740.db2.gz KRRQKJDJVRBZFK-TZMCWYRMSA-N 1 0 359.220 2.641 20 5 FFBDRO C[C@@H]1CC[C@@H](NC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C[NH2+]1 ZINC000859667321 730462402 /nfs/dbraw/zinc/46/24/02/730462402.db2.gz GABYFAOQDCGRGQ-PSASIEDQSA-N 1 0 357.208 2.619 20 5 FFBDRO CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)C[C@@H]1[NH+](C)C ZINC000860447561 730512843 /nfs/dbraw/zinc/51/28/43/730512843.db2.gz QRVCDPQNTSUOBG-IRXDYDNUSA-N 1 0 359.451 2.866 20 5 FFBDRO CC[C@H]([NH2+][C@@H](C)C1CCN(S(C)(=O)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000925231092 738491841 /nfs/dbraw/zinc/49/18/41/738491841.db2.gz RONCSSKWLNAOTL-GUYCJALGSA-N 1 0 369.487 2.696 20 5 FFBDRO O=[N+]([O-])c1ccc(CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1Cl ZINC000863652498 730799148 /nfs/dbraw/zinc/79/91/48/730799148.db2.gz ZQHCDGHRCHDNSJ-HNNXBMFYSA-N 1 0 353.850 2.839 20 5 FFBDRO CCC[N@H+](CC)CCNS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000779905372 738496035 /nfs/dbraw/zinc/49/60/35/738496035.db2.gz TYHSHNFZQZYJTF-UHFFFAOYSA-N 1 0 363.867 2.567 20 5 FFBDRO CC(C)[C@H]([NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-])C(=O)N1CCCC1 ZINC000866297181 731047433 /nfs/dbraw/zinc/04/74/33/731047433.db2.gz TUVHFTHNUVWZKM-GUYCJALGSA-N 1 0 351.422 2.902 20 5 FFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C1CCC(CS(C)(=O)=O)CC1 ZINC000866367489 731052449 /nfs/dbraw/zinc/05/24/49/731052449.db2.gz ZNPOKNXJNUZLTN-VEAWUBTESA-N 1 0 372.462 2.858 20 5 FFBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000868036001 731253468 /nfs/dbraw/zinc/25/34/68/731253468.db2.gz YQEUIQUGBSWAID-QMTHXVAHSA-N 1 0 355.797 2.530 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1SC ZINC000870975447 731582225 /nfs/dbraw/zinc/58/22/25/731582225.db2.gz UTCNIDOEMGLIRY-ZSBIGDGJSA-N 1 0 365.455 2.586 20 5 FFBDRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000874837254 732106021 /nfs/dbraw/zinc/10/60/21/732106021.db2.gz KDHRYTIVDCPRMV-STQMWFEESA-N 1 0 357.332 2.922 20 5 FFBDRO O=C(c1csc(C2CC[NH2+]CC2)n1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000876667356 732267254 /nfs/dbraw/zinc/26/72/54/732267254.db2.gz XJOYKAXSIMYAOC-UHFFFAOYSA-N 1 0 358.423 2.721 20 5 FFBDRO O=[N+]([O-])c1sc(C[NH2+][C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)cc1Br ZINC000877682704 732413114 /nfs/dbraw/zinc/41/31/14/732413114.db2.gz PGBZRUWCWJLYMH-IOISZPOISA-N 1 0 359.245 2.932 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(C[N@@H+]2CC[C@H]3COC[C@H]3C2)o1 ZINC000878991192 732627890 /nfs/dbraw/zinc/62/78/90/732627890.db2.gz VSVOYSCVMUBRIB-WDEREUQCSA-N 1 0 364.789 2.767 20 5 FFBDRO C[C@@](CO)([NH2+]C[C@H](O)c1ccccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000879271367 732676392 /nfs/dbraw/zinc/67/63/92/732676392.db2.gz FGTLPDWYJJRRLT-IRXDYDNUSA-N 1 0 350.802 2.779 20 5 FFBDRO CCOc1ccc([C@@H](C)[NH2+]CC(C)(C)CS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000926952603 738672959 /nfs/dbraw/zinc/67/29/59/738672959.db2.gz BUDWKAYLVGHTMN-GFCCVEGCSA-N 1 0 358.460 2.715 20 5 FFBDRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000881466477 733058204 /nfs/dbraw/zinc/05/82/04/733058204.db2.gz XIRIIRASFGQBJF-VXGBXAGGSA-N 1 0 368.231 2.666 20 5 FFBDRO CN(C)[C@H](CC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)C(F)(F)F ZINC000926964508 738674963 /nfs/dbraw/zinc/67/49/63/738674963.db2.gz RTEBACBLKFFBBR-JHJVBQTASA-N 1 0 363.384 2.747 20 5 FFBDRO COc1ccc(C[NH2+]C[C@@H]2CCC3(CCOCC3)CO2)cc1[N+](=O)[O-] ZINC000883255387 733356538 /nfs/dbraw/zinc/35/65/38/733356538.db2.gz UKFBDLYMKGCOMU-HNNXBMFYSA-N 1 0 350.415 2.669 20 5 FFBDRO CC(C)OC1CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000782496315 738727614 /nfs/dbraw/zinc/72/76/14/738727614.db2.gz NERNOLJJBHZXKL-UHFFFAOYSA-N 1 0 353.394 2.952 20 5 FFBDRO CC(C)[NH2+][C@@H]1CCCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000782513266 738729216 /nfs/dbraw/zinc/72/92/16/738729216.db2.gz QAHNDCJRDGQDFT-CYBMUJFWSA-N 1 0 352.410 2.525 20 5 FFBDRO CCOc1cc(NC(=O)N2CCC[C@H]([NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000888830945 734103385 /nfs/dbraw/zinc/10/33/85/734103385.db2.gz DTEHOQWDAWXWSA-AWEZNQCLSA-N 1 0 350.419 2.942 20 5 FFBDRO CCCC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000726187990 734412740 /nfs/dbraw/zinc/41/27/40/734412740.db2.gz JXROWPKJLWTKHO-ZDUSSCGKSA-N 1 0 373.450 2.667 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783577303 738816192 /nfs/dbraw/zinc/81/61/92/738816192.db2.gz ZDXPXBMZUIJXRO-KBRIMQKVSA-N 1 0 353.850 2.932 20 5 FFBDRO CC(C)(C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000928095257 738821971 /nfs/dbraw/zinc/82/19/71/738821971.db2.gz NRZXRWZAGSHEPF-HZPDHXFCSA-N 1 0 363.483 2.568 20 5 FFBDRO C[C@@]1(NC(=O)c2cc([N+](=O)[O-])ccc2Br)C[NH+]2CCC1CC2 ZINC000892783814 734603112 /nfs/dbraw/zinc/60/31/12/734603112.db2.gz DAWHWVZDVZGAOY-OAHLLOKOSA-N 1 0 368.231 2.571 20 5 FFBDRO CC(C)[C@H](C[NH+](C)C)NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000733167599 734794752 /nfs/dbraw/zinc/79/47/52/734794752.db2.gz WMDMHJLIOSUEFL-AAEUAGOBSA-N 1 0 357.838 2.718 20 5 FFBDRO COc1c(O)ccc(C[NH2+]CC[C@@H]2CC[C@H](C(F)(F)F)O2)c1[N+](=O)[O-] ZINC000896810514 735184372 /nfs/dbraw/zinc/18/43/72/735184372.db2.gz VWBPGUSJUGRXDG-CMPLNLGQSA-N 1 0 364.320 2.899 20 5 FFBDRO C[C@H](C[NH2+]Cc1ccc(S(C)(=O)=O)s1)c1ccccc1[N+](=O)[O-] ZINC000897461830 735237496 /nfs/dbraw/zinc/23/74/96/735237496.db2.gz YVHZRGPFIIIWJR-LLVKDONJSA-N 1 0 354.453 2.953 20 5 FFBDRO CC[C@@](C)([NH3+])c1cn(Cc2c(Br)cccc2[N+](=O)[O-])nn1 ZINC000900640741 735672908 /nfs/dbraw/zinc/67/29/08/735672908.db2.gz AWCDDNZYHALELW-CYBMUJFWSA-N 1 0 354.208 2.581 20 5 FFBDRO C[NH+](C)CCN(CCc1ccccc1)c1nc2sccn2c1[N+](=O)[O-] ZINC000751233438 735855868 /nfs/dbraw/zinc/85/58/68/735855868.db2.gz RUWBSXHXPWZMLS-UHFFFAOYSA-N 1 0 359.455 2.915 20 5 FFBDRO CC[N@@H+]1CCC[C@H]1CNC(=S)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000751913262 735933431 /nfs/dbraw/zinc/93/34/31/735933431.db2.gz FRMFMMQBRAICAP-ZFWWWQNUSA-N 1 0 350.488 2.913 20 5 FFBDRO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCOC1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000754569294 736174196 /nfs/dbraw/zinc/17/41/96/736174196.db2.gz QSIPLNCYRRDGNH-SDDRHHMPSA-N 1 0 355.822 2.980 20 5 FFBDRO C[NH+](C)[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)C1CC1 ZINC000754986570 736222972 /nfs/dbraw/zinc/22/29/72/736222972.db2.gz FAPKFCYQFGJBMF-GFCCVEGCSA-N 1 0 374.210 2.566 20 5 FFBDRO O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CCC[C@]12CC[NH2+]C2 ZINC000904412060 736249464 /nfs/dbraw/zinc/24/94/64/736249464.db2.gz OZNYJYGFEFTFIM-CQSZACIVSA-N 1 0 358.320 2.973 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)C[C@H]1C ZINC000906781220 736543122 /nfs/dbraw/zinc/54/31/22/736543122.db2.gz RKTUBTGYCGCLJC-PWSUYJOCSA-N 1 0 354.838 2.775 20 5 FFBDRO C[C@H]1C[C@H](NC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)C[N@@H+]1C1CC1 ZINC000906939489 736562760 /nfs/dbraw/zinc/56/27/60/736562760.db2.gz DCYFEJVQROUMRH-AAEUAGOBSA-N 1 0 351.834 2.922 20 5 FFBDRO C[C@H]1C[C@@H](NC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)C[N@@H+]1C1CC1 ZINC000906939494 736562814 /nfs/dbraw/zinc/56/28/14/736562814.db2.gz DCYFEJVQROUMRH-WCQYABFASA-N 1 0 351.834 2.922 20 5 FFBDRO C[NH+]1CCC2(CCCN(C(=O)c3cc(Cl)c(N)c([N+](=O)[O-])c3)C2)CC1 ZINC000907958615 736695764 /nfs/dbraw/zinc/69/57/64/736695764.db2.gz BVMOFVVPQILHLY-UHFFFAOYSA-N 1 0 366.849 2.778 20 5 FFBDRO C[NH+](C)CC1CN(C(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)C1 ZINC000908534065 736790970 /nfs/dbraw/zinc/79/09/70/736790970.db2.gz UJDUEOGVPCBIJW-UHFFFAOYSA-N 1 0 350.177 2.674 20 5 FFBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1ccc2c(n1)C[NH2+]CC2 ZINC000912150296 737270599 /nfs/dbraw/zinc/27/05/99/737270599.db2.gz KZZIIGLMDWTFHR-UHFFFAOYSA-N 1 0 360.801 2.561 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N2C[C@]3(C)C[NH+](C)C[C@@]3(C)C2)c1F ZINC000913276686 737390099 /nfs/dbraw/zinc/39/00/99/737390099.db2.gz KTPIHWGXXKYUJM-IRXDYDNUSA-N 1 0 353.369 2.595 20 5 FFBDRO COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000768542221 737431258 /nfs/dbraw/zinc/43/12/58/737431258.db2.gz QNLSJWGYQISEGJ-JSGCOSHPSA-N 1 0 369.849 2.611 20 5 FFBDRO COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000768542222 737431367 /nfs/dbraw/zinc/43/13/67/737431367.db2.gz QNLSJWGYQISEGJ-OCCSQVGLSA-N 1 0 369.849 2.611 20 5 FFBDRO C[NH+](C)C1(CNS(=O)(=O)c2csc([N+](=O)[O-])c2)CCCCCC1 ZINC000768805110 737460160 /nfs/dbraw/zinc/46/01/60/737460160.db2.gz FWYBIPSXKAADRM-UHFFFAOYSA-N 1 0 361.489 2.589 20 5 FFBDRO CN(CCOc1ccccc1)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000917614091 737768077 /nfs/dbraw/zinc/76/80/77/737768077.db2.gz XJFGAVFYPDSEJB-UHFFFAOYSA-N 1 0 355.192 2.522 20 5 FFBDRO CC[C@H]([NH2+][C@@H](CCSC)C(=O)N(C)OC)c1cccc([N+](=O)[O-])c1 ZINC000773052684 737866380 /nfs/dbraw/zinc/86/63/80/737866380.db2.gz PQFZYDJECVRUCV-GJZGRUSLSA-N 1 0 355.460 2.777 20 5 FFBDRO O=[N+]([O-])c1cc2cnn(C[N@@H+]3CC[C@H]([C@@H]4CCOC4)C3)c2c(Cl)c1 ZINC000774637574 738008208 /nfs/dbraw/zinc/00/82/08/738008208.db2.gz BZFOMPMQEGUACJ-NWDGAFQWSA-N 1 0 350.806 2.914 20 5 FFBDRO CS(=O)(=O)C1CCC(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000922417343 738141312 /nfs/dbraw/zinc/14/13/12/738141312.db2.gz BPTULRUVNQIWPK-UHFFFAOYSA-N 1 0 360.863 2.941 20 5 FFBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000929630503 739006017 /nfs/dbraw/zinc/00/60/17/739006017.db2.gz BHTGITGZLBCPTH-CHWSQXEVSA-N 1 0 367.471 2.546 20 5 FFBDRO COCC[N@@H+](Cc1scnc1C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000785996808 739017690 /nfs/dbraw/zinc/01/76/90/739017690.db2.gz UZFADTQBXBPWRC-HNNXBMFYSA-N 1 0 351.428 2.542 20 5 FFBDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000787304898 739125004 /nfs/dbraw/zinc/12/50/04/739125004.db2.gz SWTJWWFBKXUQRS-CYBMUJFWSA-N 1 0 353.850 2.933 20 5 FFBDRO C[C@](O)(C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)c1cccs1 ZINC000788436217 739244883 /nfs/dbraw/zinc/24/48/83/739244883.db2.gz KLFRWJQSWFJQJE-XEZPLFJOSA-N 1 0 350.444 2.834 20 5 FFBDRO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])N1CC[C@H]([NH+]2CCCC2)C1 ZINC000931650937 739304324 /nfs/dbraw/zinc/30/43/24/739304324.db2.gz DIDSFOQRUBRZOF-ZDUSSCGKSA-N 1 0 351.834 2.878 20 5 FFBDRO O=[N+]([O-])c1cccc(Br)c1C[N@@H+]1CC[C@@H](C2OCCO2)C1 ZINC000931997727 739369471 /nfs/dbraw/zinc/36/94/71/739369471.db2.gz BRUWFMOTSVSXQM-SNVBAGLBSA-N 1 0 357.204 2.552 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000790269596 739431199 /nfs/dbraw/zinc/43/11/99/739431199.db2.gz BTSTVIGNUDKCGJ-NHYWBVRUSA-N 1 0 367.833 2.955 20 5 FFBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CC[NH+](C2CCC2)CC1 ZINC000790706912 739486825 /nfs/dbraw/zinc/48/68/25/739486825.db2.gz WYSVCMOXKDKQPT-UHFFFAOYSA-N 1 0 355.797 2.627 20 5 FFBDRO C[NH+](C)CC1CCN(C(=O)CCc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000932711193 739501051 /nfs/dbraw/zinc/50/10/51/739501051.db2.gz GXUJNSSKSIVXHO-UHFFFAOYSA-N 1 0 353.850 2.981 20 5 FFBDRO CCOC(=O)C1([C@@H](C)[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])CCOCC1 ZINC000933882607 739701093 /nfs/dbraw/zinc/70/10/93/739701093.db2.gz SOBKPCWGLFQLRY-UONOGXRCSA-N 1 0 350.415 2.994 20 5 FFBDRO Cn1cc([C@@H]2CSCCC[N@@H+]2C[C@H](O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000933977135 739713264 /nfs/dbraw/zinc/71/32/64/739713264.db2.gz ZBLHOOCWULDPGF-IRXDYDNUSA-N 1 0 362.455 2.542 20 5 FFBDRO Cc1ccc(C[NH+]2CCC(CN=[S@@](C)(=O)N(C)C)CC2)cc1[N+](=O)[O-] ZINC000934754211 739832931 /nfs/dbraw/zinc/83/29/31/739832931.db2.gz FOLKHOTVKXVWRU-RUZDIDTESA-N 1 0 368.503 2.690 20 5 FFBDRO CN(C)C(=O)OC[C@H]1CCCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000796550325 740152683 /nfs/dbraw/zinc/15/26/83/740152683.db2.gz WPYPKYLDNZELRB-CQSZACIVSA-N 1 0 351.403 2.526 20 5 FFBDRO O=[N+]([O-])c1cc(S(=O)(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)cs1 ZINC000797844225 740279933 /nfs/dbraw/zinc/27/99/33/740279933.db2.gz AMJBVOILSJTNFM-ZDUSSCGKSA-N 1 0 373.500 2.732 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])c(N(C)CCC[NH+]2CCCC2)cc1Cl ZINC000798404463 740328820 /nfs/dbraw/zinc/32/88/20/740328820.db2.gz PEKUXEHQRMUZLJ-UHFFFAOYSA-N 1 0 355.822 2.957 20 5 FFBDRO Cc1c(C(=O)OCCC[NH+]2CCCC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000800156006 740493257 /nfs/dbraw/zinc/49/32/57/740493257.db2.gz DWGCBFKRKAASJU-UHFFFAOYSA-N 1 0 351.359 2.763 20 5 FFBDRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3cc([N+](=O)[O-])ccc3Cl)[C@H]2C1 ZINC000808446528 741226422 /nfs/dbraw/zinc/22/64/22/741226422.db2.gz KTHJQRQGGPYVSL-YLQAJVPDSA-N 1 0 351.834 2.985 20 5 FFBDRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3ccc(Cl)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000808447408 741227000 /nfs/dbraw/zinc/22/70/00/741227000.db2.gz PXNIZXLHBXGYCE-SQWLQELKSA-N 1 0 351.834 2.985 20 5 FFBDRO C[C@H]1CCC[C@H](C)[NH+]1CC(N)=NOCCOc1ccc([N+](=O)[O-])cc1 ZINC000809374667 741302712 /nfs/dbraw/zinc/30/27/12/741302712.db2.gz NZMXNYWSJBUBFU-KBPBESRZSA-N 1 0 350.419 2.735 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@@H](C)C[N@@H+](C)C(C)C)c1 ZINC000809861230 741357296 /nfs/dbraw/zinc/35/72/96/741357296.db2.gz UUDDONITONDOID-NSHDSACASA-N 1 0 363.867 2.564 20 5 FFBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1CN1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000809943228 741364351 /nfs/dbraw/zinc/36/43/51/741364351.db2.gz ZIIBLBVVNGVACT-CABCVRRESA-N 1 0 374.268 2.933 20 5 FFBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000810725529 741444769 /nfs/dbraw/zinc/44/47/69/741444769.db2.gz YWONGAZYYIJSFI-SFHVURJKSA-N 1 0 351.422 2.808 20 5 FFBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000810725528 741444809 /nfs/dbraw/zinc/44/48/09/741444809.db2.gz YWONGAZYYIJSFI-GOSISDBHSA-N 1 0 351.422 2.808 20 5 FFBDRO Cc1cc(N2CC[NH+](CCCCO)CC2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000814855366 741869911 /nfs/dbraw/zinc/86/99/11/741869911.db2.gz MFUNCYQHQVGDRL-UHFFFAOYSA-N 1 0 361.364 2.817 20 5 FFBDRO O=C(NC1CC[NH+](C/C=C\c2ccc(Cl)cc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001002786464 742173625 /nfs/dbraw/zinc/17/36/25/742173625.db2.gz AXJOPULMRTYXSK-YTHBIGJYSA-N 1 0 363.845 2.599 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCc2cc(C(F)(F)F)ccn2)cc1 ZINC000819334189 742376637 /nfs/dbraw/zinc/37/66/37/742376637.db2.gz WJMPHEHPTONHFI-OAHLLOKOSA-N 1 0 355.316 2.874 20 5 FFBDRO O=[N+]([O-])c1c(Br)cccc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000820670579 742534104 /nfs/dbraw/zinc/53/41/04/742534104.db2.gz RJBUGCLVRFTORB-LBPRGKRZSA-N 1 0 370.247 2.516 20 5 FFBDRO Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c(C)s1 ZINC001034644572 742928290 /nfs/dbraw/zinc/92/82/90/742928290.db2.gz IIOQEOADRMXSKK-KLHDSHLOSA-N 1 0 351.472 2.547 20 5 FFBDRO CC[NH+](CC)[C@@H](CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)CC(C)C ZINC000825888276 743338091 /nfs/dbraw/zinc/33/80/91/743338091.db2.gz VZUMKAUSKATUMU-SJORKVTESA-N 1 0 351.447 2.501 20 5 FFBDRO C[NH+]1CCC2(CC1)CN(c1ccc([N+](=O)[O-])cc1Br)CCO2 ZINC000826768126 743438665 /nfs/dbraw/zinc/43/86/65/743438665.db2.gz ZRMQGHVZNXPMQI-UHFFFAOYSA-N 1 0 370.247 2.658 20 5 FFBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000827308979 743552656 /nfs/dbraw/zinc/55/26/56/743552656.db2.gz DTXHRFONAXZOLO-MFKMUULPSA-N 1 0 357.332 2.780 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000827328396 743556329 /nfs/dbraw/zinc/55/63/29/743556329.db2.gz FBFVVMRUPXHCRM-OBJOEFQTSA-N 1 0 367.833 2.568 20 5 FFBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NCC12CCC[NH+]1CCC2 ZINC000834752683 745893906 /nfs/dbraw/zinc/89/39/06/745893906.db2.gz RACNWSHTWSSPQX-UHFFFAOYSA-N 1 0 355.797 2.674 20 5 FFBDRO CO[C@@H]1C[C@@H]([NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C12CCC2 ZINC000839188430 746798140 /nfs/dbraw/zinc/79/81/40/746798140.db2.gz CUESNVFXAZUEJT-HUUCEWRRSA-N 1 0 351.378 2.610 20 5 FFBDRO CO[C@H]1C[C@H]([NH2+]CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C12CCC2 ZINC000839191034 746798150 /nfs/dbraw/zinc/79/81/50/746798150.db2.gz NHSXUJVWDXTUFB-KBPBESRZSA-N 1 0 353.806 2.734 20 5 FFBDRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000841099378 747268960 /nfs/dbraw/zinc/26/89/60/747268960.db2.gz JHIPKGBXPBIXEM-NVXWUHKLSA-N 1 0 353.850 2.967 20 5 FFBDRO [NH3+][C@H]1CCO[C@@H](C2CCN(Cc3cc(Cl)ccc3[N+](=O)[O-])CC2)C1 ZINC000841104778 747270942 /nfs/dbraw/zinc/27/09/42/747270942.db2.gz SHDANMZUPQLKCE-DOTOQJQBSA-N 1 0 353.850 2.967 20 5 FFBDRO C[C@@H]1CN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)[C@H](C)C[NH2+]1 ZINC000841160662 747283731 /nfs/dbraw/zinc/28/37/31/747283731.db2.gz DBRMCGALIGRFQF-RKDXNWHRSA-N 1 0 357.208 2.571 20 5 FFBDRO C[C@H]1CCCN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)[C@@H]1C[NH3+] ZINC000841162628 747285397 /nfs/dbraw/zinc/28/53/97/747285397.db2.gz YFNWQKDHQVMYMD-TVQRCGJNSA-N 1 0 371.235 2.948 20 5 FFBDRO CC1(C)CN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000841162602 747285561 /nfs/dbraw/zinc/28/55/61/747285561.db2.gz XIRILBIODBSJBE-UHFFFAOYSA-N 1 0 357.208 2.573 20 5 FFBDRO CN(C(=O)NCc1cc([N+](=O)[O-])ccc1Cl)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000841856983 747477357 /nfs/dbraw/zinc/47/73/57/747477357.db2.gz URWFUEVYKIWKTF-ONXXMXGDSA-N 1 0 352.822 2.673 20 5 FFBDRO O=C(NCCC[NH2+]C1CCCCC1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000842232468 747552482 /nfs/dbraw/zinc/55/24/82/747552482.db2.gz KWYFHDBCMPHALL-UHFFFAOYSA-N 1 0 363.443 2.642 20 5 FFBDRO [NH3+][C@H]1CCCO[C@H]1C1CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000842510853 747623490 /nfs/dbraw/zinc/62/34/90/747623490.db2.gz UUXLZSRENINHQF-HOCLYGCPSA-N 1 0 367.833 2.607 20 5 FFBDRO [NH3+][C@H]1CCO[C@H](C2CCN(C(=O)c3ccc([N+](=O)[O-])c(Cl)c3)CC2)C1 ZINC000842509382 747623511 /nfs/dbraw/zinc/62/35/11/747623511.db2.gz JKKNNGXGCIGNTK-BBRMVZONSA-N 1 0 367.833 2.607 20 5 FFBDRO [NH3+]CCCCCCNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000843042390 747754538 /nfs/dbraw/zinc/75/45/38/747754538.db2.gz SWQYNSRREKSALW-UHFFFAOYSA-N 1 0 359.224 2.998 20 5 FFBDRO CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1Br)C1CCC([NH3+])CC1 ZINC000843354375 747815987 /nfs/dbraw/zinc/81/59/87/747815987.db2.gz COGXBSWHOWANGU-UHFFFAOYSA-N 1 0 374.210 2.838 20 5 FFBDRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000843480926 747842499 /nfs/dbraw/zinc/84/24/99/747842499.db2.gz ZCYRNPMKWWRZNY-OTPXZMOZSA-N 1 0 374.210 2.613 20 5 FFBDRO C[C@@H]1C[N@H+](C)[C@H](C)[C@@H](C)N1C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000844643565 748063007 /nfs/dbraw/zinc/06/30/07/748063007.db2.gz UHWZZQIAFZEWHX-GMTAPVOTSA-N 1 0 370.247 2.910 20 5 FFBDRO Cc1c([N+](=O)[O-])cc(C(=O)NCCC[N@@H+](C)CC(C)C)cc1[N+](=O)[O-] ZINC000844655495 748066582 /nfs/dbraw/zinc/06/65/82/748066582.db2.gz JTQAXHQRRQOBOP-UHFFFAOYSA-N 1 0 352.391 2.519 20 5 FFBDRO O=C(NCCC1CC[NH2+]CC1)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000846307363 748455150 /nfs/dbraw/zinc/45/51/50/748455150.db2.gz RYLYLNBRUKCSED-UHFFFAOYSA-N 1 0 371.235 2.869 20 5 FFBDRO CC(C)[NH2+]C1CCN(C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000848581597 748965491 /nfs/dbraw/zinc/96/54/91/748965491.db2.gz PCDOXADQMGRYMS-UHFFFAOYSA-N 1 0 357.357 2.555 20 5 FFBDRO O=C1O[C@@H](C[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CN1C1CC1 ZINC000848930354 749037799 /nfs/dbraw/zinc/03/77/99/749037799.db2.gz QOAMMLRWDXSXOF-NSHDSACASA-N 1 0 360.197 2.974 20 5 FFBDRO CCOC(=O)CC1([NH2+]Cc2ccc(Cl)c([N+](=O)[O-])c2)CCOCC1 ZINC000852725853 749933985 /nfs/dbraw/zinc/93/39/85/749933985.db2.gz AKLXECVQSHJHOB-UHFFFAOYSA-N 1 0 356.806 2.840 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1F ZINC000854659554 750347687 /nfs/dbraw/zinc/34/76/87/750347687.db2.gz NVRKPIZGBYEQKZ-KRWDZBQOSA-N 1 0 353.369 2.739 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N2CC[N@@H+](C3CC3)C[C@H](C)C2)c1F ZINC000854676806 750350591 /nfs/dbraw/zinc/35/05/91/750350591.db2.gz CWUXYIBVBFKLBT-JTQLQIEISA-N 1 0 353.369 2.738 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@@H]3CCC4(CCC4)CO3)CC2)cn1 ZINC000895806698 970972091 /nfs/dbraw/zinc/97/20/91/970972091.db2.gz ICZWUNTYMGZDSA-KRWDZBQOSA-N 1 0 360.458 2.898 20 5 FFBDRO COc1c(O)ccc(C[NH2+]C[C@]2(C)OCCc3ccccc32)c1[N+](=O)[O-] ZINC000896021613 971162289 /nfs/dbraw/zinc/16/22/89/971162289.db2.gz LWORCURUFIXMBC-IBGZPJMESA-N 1 0 358.394 2.887 20 5 FFBDRO Nc1c(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc2ccccc2c1[N+](=O)[O-] ZINC000896104392 971245171 /nfs/dbraw/zinc/24/51/71/971245171.db2.gz FRVUCJNXYPBRBD-AWEZNQCLSA-N 1 0 354.410 2.641 20 5 FFBDRO CC1(c2ccc(C[NH2+]C[C@H](O)c3ccc([N+](=O)[O-])cc3)cc2)OCCO1 ZINC000872220591 1013184395 /nfs/dbraw/zinc/18/43/95/1013184395.db2.gz PUDDZOYNSHPJDM-SFHVURJKSA-N 1 0 358.394 2.638 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC3(CC[NH2+]CC3)c3ccccc32)n1 ZINC001167072616 959500027 /nfs/dbraw/zinc/50/00/27/959500027.db2.gz YOQDHZMWDHFKPS-UHFFFAOYSA-N 1 0 368.393 2.549 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(-n2c3ccc(F)cc3c3c2CC[NH2+]C3)n1 ZINC001167089433 959894411 /nfs/dbraw/zinc/89/44/11/959894411.db2.gz UYYJVZJMJKATLK-UHFFFAOYSA-N 1 0 370.340 2.505 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000872281719 1013200271 /nfs/dbraw/zinc/20/02/71/1013200271.db2.gz YLIOHUBPBWPKIM-DOTOQJQBSA-N 1 0 364.442 2.758 20 5 FFBDRO CN(CCC[NH2+]Cc1ccc(Cl)cc1Cl)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001276002753 1013270938 /nfs/dbraw/zinc/27/09/38/1013270938.db2.gz YCHWOMXITLVFII-TZMCWYRMSA-N 1 0 360.241 2.597 20 5 FFBDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825643425 1013330437 /nfs/dbraw/zinc/33/04/37/1013330437.db2.gz BMFGNGLZURLXSN-IBGZPJMESA-N 1 0 371.437 2.739 20 5 FFBDRO Cc1c(C[NH2+]Cc2ccc(C(=O)N3CCOCC3)cc2)cccc1[N+](=O)[O-] ZINC000873009419 1013346195 /nfs/dbraw/zinc/34/61/95/1013346195.db2.gz YNKMBSHFXTVVNY-UHFFFAOYSA-N 1 0 369.421 2.665 20 5 FFBDRO COc1ccc(Cn2cc(C[NH2+]CCc3ccc([N+](=O)[O-])cc3)nn2)cc1 ZINC000873043992 1013362377 /nfs/dbraw/zinc/36/23/77/1013362377.db2.gz YVSTYLICANGGIZ-UHFFFAOYSA-N 1 0 367.409 2.576 20 5 FFBDRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1OC ZINC000873191662 1013416645 /nfs/dbraw/zinc/41/66/45/1013416645.db2.gz RKMCKMFMUQCNIH-LJQANCHMSA-N 1 0 360.410 2.695 20 5 FFBDRO C[C@](CO)([NH2+]CCCn1c(=O)[nH]c2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC001175322791 1013444357 /nfs/dbraw/zinc/44/43/57/1013444357.db2.gz GERLDAKULYWKIZ-LJQANCHMSA-N 1 0 370.409 2.538 20 5 FFBDRO Cc1c(F)cnc(NC2(C(=O)OC(C)(C)C)CCC([NH3+])CC2)c1[N+](=O)[O-] ZINC001167637895 967093790 /nfs/dbraw/zinc/09/37/90/967093790.db2.gz GIMHDMVISDXNTG-UHFFFAOYSA-N 1 0 368.409 2.831 20 5 FFBDRO C[NH+](C)CC1(O)CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1 ZINC000894956491 967119491 /nfs/dbraw/zinc/11/94/91/967119491.db2.gz QWCARTOFERBBFO-UHFFFAOYSA-N 1 0 356.426 2.550 20 5 FFBDRO CNC(=O)c1ccc(CN(C)Cn2nc(C)c3ccc([N+](=O)[O-])cc32)cc1 ZINC000179543145 968968754 /nfs/dbraw/zinc/96/87/54/968968754.db2.gz OANOUJWTISDSPS-UHFFFAOYSA-N 1 0 367.409 2.702 20 5 FFBDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000874827009 1013910726 /nfs/dbraw/zinc/91/07/26/1013910726.db2.gz AGCGJLCENFUWCS-VQTJNVASSA-N 1 0 361.445 2.990 20 5 FFBDRO O=C(O[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000892962938 970444129 /nfs/dbraw/zinc/44/41/29/970444129.db2.gz QIMUVSPQHSBKEJ-STQMWFEESA-N 1 0 362.382 2.540 20 5 FFBDRO CCC[N@H+](C)CC(C)(C)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000893045432 970533867 /nfs/dbraw/zinc/53/38/67/970533867.db2.gz WOPAYJWPBDQEDB-UHFFFAOYSA-N 1 0 365.430 2.606 20 5 FFBDRO C[C@H](CNC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000897057929 973202001 /nfs/dbraw/zinc/20/20/01/973202001.db2.gz KIWPBKOYURXYCG-HLLBOEOZSA-N 1 0 360.458 2.967 20 5 FFBDRO CN1CCC[C@@H]1c1cc(C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)n[nH]1 ZINC000897139629 973377179 /nfs/dbraw/zinc/37/71/79/973377179.db2.gz OKOUJQWNQKIZFM-GOSISDBHSA-N 1 0 369.425 2.889 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2csc(N3CC[C@H]4[C@H]3CCC[N@H+]4CCO)n2)cc1 ZINC000897219824 973456603 /nfs/dbraw/zinc/45/66/03/973456603.db2.gz OSXYDZICGXNUBY-DLBZAZTESA-N 1 0 374.466 2.754 20 5 FFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000893447240 974071748 /nfs/dbraw/zinc/07/17/48/974071748.db2.gz FYLHIISURZIKIL-AWEZNQCLSA-N 1 0 370.409 2.739 20 5 FFBDRO CC(C)[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ccc(F)c(Cl)c1 ZINC001481350019 974281525 /nfs/dbraw/zinc/28/15/25/974281525.db2.gz DWJLRCJGSMQVPS-CZUORRHYSA-N 1 0 371.840 2.861 20 5 FFBDRO Cc1nn(CCC(=O)Nc2ccc(C[NH+](C)C)cc2C)c(C)c1[N+](=O)[O-] ZINC000909611916 974313008 /nfs/dbraw/zinc/31/30/08/974313008.db2.gz ADKFRRSIOQHXKJ-UHFFFAOYSA-N 1 0 359.430 2.807 20 5 FFBDRO CC[NH+]1CCN(c2cc(N(C)C(=O)C3CC4(CC4)C3)cc([N+](=O)[O-])c2)CC1 ZINC000876228558 1014188783 /nfs/dbraw/zinc/18/87/83/1014188783.db2.gz QMPPMZZYUSQBNJ-UHFFFAOYSA-N 1 0 372.469 2.890 20 5 FFBDRO Cc1c(C(=O)NCC[NH+](C(C)C)C(C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000125862853 1014218324 /nfs/dbraw/zinc/21/83/24/1014218324.db2.gz ZNNUBTUZOSMWPB-UHFFFAOYSA-N 1 0 366.418 2.968 20 5 FFBDRO Cn1ccnc1[C@@H](N[C@@H]1Cc2ccccc2[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000898392936 976414698 /nfs/dbraw/zinc/41/46/98/976414698.db2.gz ZBSUSYPDAYEUFD-CEXWTWQISA-N 1 0 364.405 2.666 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000843802942 976844608 /nfs/dbraw/zinc/84/46/08/976844608.db2.gz FQTVCTTYZMLAIH-RISCZKNCSA-N 1 0 364.402 2.756 20 5 FFBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC000893825989 977562455 /nfs/dbraw/zinc/56/24/55/977562455.db2.gz BCELXNWDWUQMMY-KGLIPLIRSA-N 1 0 356.426 2.510 20 5 FFBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1c1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC000893859635 977570191 /nfs/dbraw/zinc/57/01/91/977570191.db2.gz MGXWVJUDJFINEY-UKRRQHHQSA-N 1 0 356.426 2.510 20 5 FFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CC3(c4ccccc4)CCOCC3)C2)c1 ZINC000876928679 1014423472 /nfs/dbraw/zinc/42/34/72/1014423472.db2.gz LYYDDZXEXBQPAC-UHFFFAOYSA-N 1 0 356.426 2.833 20 5 FFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]Cc3ccc(-n4ccnc4)c(F)c3)C2)c1 ZINC000876970164 1014436515 /nfs/dbraw/zinc/43/65/15/1014436515.db2.gz KJNQIOXITNKCNI-UHFFFAOYSA-N 1 0 356.361 2.609 20 5 FFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@@](O)(c3ccccc3)C(F)(F)F)C2)c1 ZINC000877006497 1014446646 /nfs/dbraw/zinc/44/66/46/1014446646.db2.gz KXDOSMHKNMYAJY-SSDMNJCBSA-N 1 0 370.331 2.535 20 5 FFBDRO C[N@H+](CCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)Cc1ccccc1 ZINC000729185419 978198864 /nfs/dbraw/zinc/19/88/64/978198864.db2.gz PXIYWVFRGQKWOI-UHFFFAOYSA-N 1 0 354.454 2.849 20 5 FFBDRO CCC1([NH+]2CCCC2)CCN(C(=O)[C@](C)(N)c2cccc([N+](=O)[O-])c2)CC1 ZINC000877147780 1014488842 /nfs/dbraw/zinc/48/88/42/1014488842.db2.gz MYQBZXRCHQUEBO-LJQANCHMSA-N 1 0 374.485 2.636 20 5 FFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[NH2+]CCC12CCOCC2 ZINC000904486340 980286728 /nfs/dbraw/zinc/28/67/28/980286728.db2.gz REWLVPGMQVJQLU-UHFFFAOYSA-N 1 0 362.430 2.534 20 5 FFBDRO C[C@]1(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCOC2(CCC2)C1 ZINC000905493127 980457420 /nfs/dbraw/zinc/45/74/20/980457420.db2.gz RMHNHKCQJKLWAP-QAPCUYQASA-N 1 0 364.442 2.664 20 5 FFBDRO CC[NH+](CC)CCCCNC(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC000906674489 981118830 /nfs/dbraw/zinc/11/88/30/981118830.db2.gz ZBMYMWRFIVLLFQ-UHFFFAOYSA-N 1 0 365.430 2.608 20 5 FFBDRO CCCN(CCC[NH+](C)C)C(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC000907657066 981274823 /nfs/dbraw/zinc/27/48/23/981274823.db2.gz BJADCJFVQQPSDU-UHFFFAOYSA-N 1 0 365.430 2.560 20 5 FFBDRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000130240505 981361240 /nfs/dbraw/zinc/36/12/40/981361240.db2.gz PUZJVXXWFVGFQZ-OAHLLOKOSA-N 1 0 366.421 2.979 20 5 FFBDRO Cc1ncc2c(n1)CC[C@@H]([NH2+]C1CCN(c3ccc([N+](=O)[O-])cc3)CC1)C2 ZINC000764858531 984757132 /nfs/dbraw/zinc/75/71/32/984757132.db2.gz VECXGQPENUXKFE-QGZVFWFLSA-N 1 0 367.453 2.809 20 5 FFBDRO Cc1nn(CN2CC[C@H](C[N@H+](C)CC3CC3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000765057910 984954457 /nfs/dbraw/zinc/95/44/57/984954457.db2.gz SCWBKGTXMPWFJL-MRXNPFEDSA-N 1 0 357.458 2.874 20 5 FFBDRO Cc1nn(C[N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)c2cc([N+](=O)[O-])ccc12 ZINC000761293173 985133104 /nfs/dbraw/zinc/13/31/04/985133104.db2.gz SBPTYXHZYHQBQQ-HNNXBMFYSA-N 1 0 371.441 2.545 20 5 FFBDRO O=C(NC12CC[NH+](CC1)C2)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000913631855 986774081 /nfs/dbraw/zinc/77/40/81/986774081.db2.gz FUVIRZCAVKSLNT-UHFFFAOYSA-N 1 0 366.421 2.785 20 5 FFBDRO CCOC(=O)Cc1ccc(N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000826076050 1015251531 /nfs/dbraw/zinc/25/15/31/1015251531.db2.gz LPEVZAKYDGFQCD-GOEBONIOSA-N 1 0 361.442 2.763 20 5 FFBDRO C[C@H]1CC2(CCC2)C[N@@H+]1CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000762145601 988144693 /nfs/dbraw/zinc/14/46/93/988144693.db2.gz WEZHBWAPYGZWID-ZDUSSCGKSA-N 1 0 358.398 2.585 20 5 FFBDRO CCOc1cc([N+](=O)[O-])ccc1-n1nc(-c2ccccc2)nc1CC[NH3+] ZINC001168714655 988210696 /nfs/dbraw/zinc/21/06/96/988210696.db2.gz YPUFVROBFSVOGO-UHFFFAOYSA-N 1 0 353.382 2.742 20 5 FFBDRO COc1ccc(-c2ccc(C[NH2+]CC[C@@H]3CC(=O)N(C)C3)o2)c([N+](=O)[O-])c1 ZINC000922488427 988634677 /nfs/dbraw/zinc/63/46/77/988634677.db2.gz JXZZYTZHVGJGFS-CYBMUJFWSA-N 1 0 373.409 2.821 20 5 FFBDRO CCCCCNC(=O)C1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000153737262 988920661 /nfs/dbraw/zinc/92/06/61/988920661.db2.gz LJAUTDWSGTVWAB-SFHVURJKSA-N 1 0 363.458 2.647 20 5 FFBDRO COC(=O)c1ccc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)o1 ZINC000766002907 988968442 /nfs/dbraw/zinc/96/84/42/988968442.db2.gz SNORMQUNTDZILD-UHFFFAOYSA-N 1 0 359.382 2.733 20 5 FFBDRO O=C(N[C@H]1CC[C@H]([NH2+]Cc2ccc(C(F)F)cc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001034644156 990148689 /nfs/dbraw/zinc/14/86/89/990148689.db2.gz CZPULDIREAPRBF-KLHDSHLOSA-N 1 0 367.396 2.806 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2Cc3cccnc3N3CCC[C@@H]3C2)c1 ZINC000879499648 1015564729 /nfs/dbraw/zinc/56/47/29/1015564729.db2.gz AKUMZQADNZFROG-QZTJIDSGSA-N 1 0 354.410 2.508 20 5 FFBDRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000920474226 990861963 /nfs/dbraw/zinc/86/19/63/990861963.db2.gz YRAJXGFZEXUFKJ-HKUYNNGSSA-N 1 0 372.469 2.942 20 5 FFBDRO CC1(C)Nc2ccccc2[C@@H]1[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000923425101 991134555 /nfs/dbraw/zinc/13/45/55/991134555.db2.gz FGXVBQPMEHBCTG-ACJLOTCBSA-N 1 0 357.410 2.870 20 5 FFBDRO Cc1cc(C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)c(N)c([N+](=O)[O-])c1 ZINC000068510059 991455084 /nfs/dbraw/zinc/45/50/84/991455084.db2.gz MHJMVEWYCURKPI-INIZCTEOSA-N 1 0 360.389 2.657 20 5 FFBDRO CC(C)[N@@H+](CC(=O)[O-])CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001591569556 992773086 /nfs/dbraw/zinc/77/30/86/992773086.db2.gz MITLEYAYJPOJOD-UHFFFAOYSA-N 1 0 363.458 2.644 20 5 FFBDRO C[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000880080284 1015749471 /nfs/dbraw/zinc/74/94/71/1015749471.db2.gz RCHPXTBTEZTZPP-ZWKOTPCHSA-N 1 0 371.393 2.585 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CC[C@@](CO)(Cc3ccc(F)cc3)C2)cc1 ZINC000808795332 994270595 /nfs/dbraw/zinc/27/05/95/994270595.db2.gz TYRQLRJHOUPSBY-WOJBJXKFSA-N 1 0 374.412 2.694 20 5 FFBDRO CC[C@H](C(=O)O[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1)[NH+](CC)CC ZINC000813173991 995633390 /nfs/dbraw/zinc/63/33/90/995633390.db2.gz NMUGXMFXFOPYDU-ZWKOTPCHSA-N 1 0 363.458 2.833 20 5 FFBDRO C[C@H](CCNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1ccccc1 ZINC000826747867 1016057920 /nfs/dbraw/zinc/05/79/20/1016057920.db2.gz YRUXAFBNFUSDOK-DNVCBOLYSA-N 1 0 371.437 2.655 20 5 FFBDRO CN(C(=O)Nc1ccc(N)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000823979792 996771490 /nfs/dbraw/zinc/77/14/90/996771490.db2.gz CTIGBVHIVGVKJX-MRXNPFEDSA-N 1 0 369.425 2.915 20 5 FFBDRO Cc1ccc(NCCCNC(=O)[C@@H]2CC[C@@H]3C[C@H](C)C[N@H+]3C2)c([N+](=O)[O-])c1 ZINC001136872057 996951547 /nfs/dbraw/zinc/95/15/47/996951547.db2.gz BTOGJOAXKCVTBE-GVDBMIGSSA-N 1 0 374.485 2.942 20 5 FFBDRO CC[C@H](C[NH2+]Cc1cc(OC)c(O)cc1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000824661341 997041409 /nfs/dbraw/zinc/04/14/09/997041409.db2.gz VZJVLVNQUBOJCL-GFCCVEGCSA-N 1 0 369.418 2.702 20 5 FFBDRO Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000824828114 997117035 /nfs/dbraw/zinc/11/70/35/997117035.db2.gz LGAJWKHEJJSPGP-KGLIPLIRSA-N 1 0 371.359 2.746 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000825258978 997282760 /nfs/dbraw/zinc/28/27/60/997282760.db2.gz LWPWJHAKSPNZEF-UHFFFAOYSA-N 1 0 357.414 2.927 20 5 FFBDRO CC[C@@H](c1ccccc1)[NH+]1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC001137021127 997321547 /nfs/dbraw/zinc/32/15/47/997321547.db2.gz KIUALDWBMJIPFY-INIZCTEOSA-N 1 0 370.409 2.605 20 5 FFBDRO C[NH+](C)[C@@H]1Cc2ccccc2N(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000844382192 997869925 /nfs/dbraw/zinc/86/99/25/997869925.db2.gz BDMVSCFEKPSLEJ-MRXNPFEDSA-N 1 0 357.385 2.796 20 5 FFBDRO C[C@@H]1CCCN(Cn2cc([N+](=O)[O-])cn2)[C@@H]1CCNC(=O)OC(C)(C)C ZINC000844731423 998128420 /nfs/dbraw/zinc/12/84/20/998128420.db2.gz SMQQXUYJECAUBL-UKRRQHHQSA-N 1 0 367.450 2.764 20 5 FFBDRO C[N@@H+]1CCN(Cn2ncc3ccc([N+](=O)[O-])cc32)[C@@H](Cc2ccccc2)C1 ZINC000844739446 998135973 /nfs/dbraw/zinc/13/59/73/998135973.db2.gz DTRYTLMJLRKHSY-IBGZPJMESA-N 1 0 365.437 2.761 20 5 FFBDRO Cc1cc([N+](=O)[O-])nn1Cc1cccc(-c2nc([C@@H]([NH3+])C(C)C)no2)c1 ZINC000844906917 998216384 /nfs/dbraw/zinc/21/63/84/998216384.db2.gz VUBRWLGGQBFUOE-HNNXBMFYSA-N 1 0 356.386 2.854 20 5 FFBDRO C[N@H+](CCCNC(=O)OC(C)(C)C)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000740757800 999681663 /nfs/dbraw/zinc/68/16/63/999681663.db2.gz BAMQRSLOHGQBGC-UHFFFAOYSA-N 1 0 363.418 2.749 20 5 FFBDRO O=[N+]([O-])c1cn(CN2CCC[C@@H]([NH+]3CCCC3)CC2)nc1-c1ccncc1 ZINC000742152801 999762008 /nfs/dbraw/zinc/76/20/08/999762008.db2.gz IMZILJRDHHRMNW-QGZVFWFLSA-N 1 0 370.457 2.761 20 5 FFBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)c1ccc([N+](=O)[O-])cc1C(=O)NC1CC1 ZINC000742419172 999773316 /nfs/dbraw/zinc/77/33/16/999773316.db2.gz VTPGSMCJXQMHPU-HNNXBMFYSA-N 1 0 360.458 2.798 20 5 FFBDRO CCc1cc(NCC[N@@H+]2CCC[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000742424718 999773664 /nfs/dbraw/zinc/77/36/64/999773664.db2.gz CEIFXBNIRQUXNO-CQSZACIVSA-N 1 0 355.442 2.932 20 5 FFBDRO C[NH+](C)CCCC1CCN(Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)CC1 ZINC000766382980 999988787 /nfs/dbraw/zinc/98/87/87/999988787.db2.gz WBNUAAYCYKYFRX-UHFFFAOYSA-N 1 0 372.473 2.865 20 5 FFBDRO Cc1ncn(-c2nc(C3CC3)nc(Cl)c2[N+](=O)[O-])c1CSCC[NH3+] ZINC001168784151 999991718 /nfs/dbraw/zinc/99/17/18/999991718.db2.gz VECRZHXAPLAYRP-UHFFFAOYSA-N 1 0 368.850 2.602 20 5 FFBDRO [NH3+]CCN(c1cccnc1)c1c(Br)cc(F)cc1[N+](=O)[O-] ZINC001168834523 1000000761 /nfs/dbraw/zinc/00/07/61/1000000761.db2.gz MRCAYKJHBBMUBB-UHFFFAOYSA-N 1 0 355.167 2.988 20 5 FFBDRO [NH3+]Cc1cccc(-c2nnn(-c3cc(C(F)(F)F)ccc3[N+](=O)[O-])n2)c1 ZINC001168885274 1000006778 /nfs/dbraw/zinc/00/67/78/1000006778.db2.gz VQNZSXMCGYZENU-UHFFFAOYSA-N 1 0 364.287 2.715 20 5 FFBDRO CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001168985431 1000012403 /nfs/dbraw/zinc/01/24/03/1000012403.db2.gz FEYQTPOCZRBJQT-JKJDWNRSSA-N 1 0 353.463 2.952 20 5 FFBDRO C[C@@H](c1ccccc1)[C@@H](CO)[NH2+]Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001168995510 1000014028 /nfs/dbraw/zinc/01/40/28/1000014028.db2.gz ONMWBLRSKTYGHL-XJKSGUPXSA-N 1 0 368.393 2.899 20 5 FFBDRO COc1ccc(F)cc1CN1CCC([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168996018 1000014261 /nfs/dbraw/zinc/01/42/61/1000014261.db2.gz UBUNPGAMETUEGZ-KBXCAEBGSA-N 1 0 365.449 2.834 20 5 FFBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]C2CCN(Cc3ccc(F)cc3F)CC2)C1 ZINC001168997328 1000014274 /nfs/dbraw/zinc/01/42/74/1000014274.db2.gz YSXDQVHOQPRCAA-SUMWQHHRSA-N 1 0 353.413 2.964 20 5 FFBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C2CCN(Cc3cccc(F)c3F)CC2)C1 ZINC001168997342 1000014297 /nfs/dbraw/zinc/01/42/97/1000014297.db2.gz YVFZMTGYJBFOIC-CJNGLKHVSA-N 1 0 353.413 2.964 20 5 FFBDRO CC(C)(C)OC(=O)Nc1ccc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)cn1 ZINC001168986975 1000015807 /nfs/dbraw/zinc/01/58/07/1000015807.db2.gz GSRSVZVUBMLKLE-JSGCOSHPSA-N 1 0 350.419 2.964 20 5 FFBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]C2CCN(c3cnc4ccccc4n3)CC2)C1 ZINC001168988188 1000015949 /nfs/dbraw/zinc/01/59/49/1000015949.db2.gz OTZXYPXANCMFHP-HOCLYGCPSA-N 1 0 355.442 2.634 20 5 FFBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCC3(C[C@@H](Oc4cccnc4)CO3)CC2)C1 ZINC001169019329 1000017640 /nfs/dbraw/zinc/01/76/40/1000017640.db2.gz HUWVIUDJBVDIRV-SOLBZPMBSA-N 1 0 361.442 2.529 20 5 FFBDRO CN1Cc2ccccc2CC2(CC[NH+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)C1=O ZINC001169026487 1000018103 /nfs/dbraw/zinc/01/81/03/1000018103.db2.gz XOZUYPDHBNTMQT-QFBILLFUSA-N 1 0 371.481 2.729 20 5 FFBDRO COc1cc(N2CC[NH+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)ccc1Cl ZINC001169046808 1000018527 /nfs/dbraw/zinc/01/85/27/1000018527.db2.gz NDISEZJYFOGLAD-ZIAGYGMSSA-N 1 0 353.850 2.916 20 5 FFBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCC(n3cc(Br)cn3)CC2)C1 ZINC001169054617 1000019013 /nfs/dbraw/zinc/01/90/13/1000019013.db2.gz MWRWCKBOBGMADN-RISCZKNCSA-N 1 0 357.252 2.728 20 5 FFBDRO Cc1cccc(C[N@@H+]2CC[C@@H](NC(=O)Cc3ccc(F)cc3[N+](=O)[O-])C2)c1 ZINC001169150969 1000028045 /nfs/dbraw/zinc/02/80/45/1000028045.db2.gz XSZPUUZHLCNTKV-GOSISDBHSA-N 1 0 371.412 2.976 20 5 FFBDRO C[N@H+](CCOC(=O)CNc1ccccc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000769089812 1000420551 /nfs/dbraw/zinc/42/05/51/1000420551.db2.gz DTHZWRZAYLWDBZ-UHFFFAOYSA-N 1 0 361.373 2.821 20 5 FFBDRO C[N@H+](CCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CCCCC1 ZINC000771602415 1001156628 /nfs/dbraw/zinc/15/66/28/1001156628.db2.gz ILLCDKSGAPCCFT-UHFFFAOYSA-N 1 0 374.485 2.898 20 5 FFBDRO Cc1ccccc1[C@H]([C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1N)[NH+](C)C ZINC000787319564 1001684629 /nfs/dbraw/zinc/68/46/29/1001684629.db2.gz VIUZIXVEQQXMJY-UGSOOPFHSA-N 1 0 356.426 2.907 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NCCC[NH+]1CCCCC1 ZINC000746715652 1001733217 /nfs/dbraw/zinc/73/32/17/1001733217.db2.gz WOCUYHXADNTOHX-UHFFFAOYSA-N 1 0 366.374 2.578 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@H]2COC3(CCCCC3)O2)n1 ZINC000788438813 1001799931 /nfs/dbraw/zinc/79/99/31/1001799931.db2.gz VXONAILYMNNNSM-ARFHVFGLSA-N 1 0 364.446 2.940 20 5 FFBDRO CCC(CC)[C@H](C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)N1CCOCC1 ZINC000788506246 1001814412 /nfs/dbraw/zinc/81/44/12/1001814412.db2.gz KDFREEYLUXMIDG-LIRRHRJNSA-N 1 0 364.490 2.965 20 5 FFBDRO C[C@@H]([NH2+][C@@H](C)[C@H](O)c1ccc2c(c1)OCO2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788797156 1001868237 /nfs/dbraw/zinc/86/82/37/1001868237.db2.gz WUEVAHRZGXWSLQ-DDBGAENHSA-N 1 0 359.382 2.678 20 5 FFBDRO Cc1ccc(CN2CC[C@@H]([NH2+][C@H](C)c3ccc(N)c([N+](=O)[O-])c3)C2=O)cc1 ZINC000788787211 1001879064 /nfs/dbraw/zinc/87/90/64/1001879064.db2.gz ZROMMBBCUBGDEA-RDTXWAMCSA-N 1 0 368.437 2.937 20 5 FFBDRO COc1cccc(CN(CC[NH+](C)C)c2nc3ccccn3c2[N+](=O)[O-])c1 ZINC000790799950 1002492301 /nfs/dbraw/zinc/49/23/01/1002492301.db2.gz JXOLNUBIRGBXKA-UHFFFAOYSA-N 1 0 369.425 2.819 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)Nc2ccnc(OCC[NH+](C)C)c2)c1F ZINC000790888822 1002508601 /nfs/dbraw/zinc/50/86/01/1002508601.db2.gz HGQLCRQACNJJEB-UHFFFAOYSA-N 1 0 362.361 2.630 20 5 FFBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)[N@@H+]1CCC[C@@H](C)C1 ZINC000791207729 1002617655 /nfs/dbraw/zinc/61/76/55/1002617655.db2.gz CQZJGEUIYDIDHM-CHWSQXEVSA-N 1 0 366.437 2.650 20 5 FFBDRO CN(C)c1cc(F)c(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)cc1[N+](=O)[O-] ZINC000791366036 1002682130 /nfs/dbraw/zinc/68/21/30/1002682130.db2.gz FSHRGXMKJYSXHU-INIZCTEOSA-N 1 0 368.453 2.896 20 5 FFBDRO CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNc2cc(C(F)(F)F)ccc2[N+](=O)[O-])O1 ZINC001170276141 1003084129 /nfs/dbraw/zinc/08/41/29/1003084129.db2.gz AXRPYWOOECCXJA-MGPQQGTHSA-N 1 0 363.336 2.750 20 5 FFBDRO COc1ccc(C[C@H](C)[NH2+]C2CCN(C(=O)C3CC3)CC2)c([N+](=O)[O-])c1 ZINC001170297518 1003092136 /nfs/dbraw/zinc/09/21/36/1003092136.db2.gz OKYOFGZECCUBPR-ZDUSSCGKSA-N 1 0 361.442 2.525 20 5 FFBDRO COC(=O)C[C@H]([NH2+][C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])c1cccnc1 ZINC001170313303 1003104867 /nfs/dbraw/zinc/10/48/67/1003104867.db2.gz KUPLQDBCZBDXTQ-GUYCJALGSA-N 1 0 373.409 2.823 20 5 FFBDRO COc1ccc(C[C@@H](C)[NH2+]C(C)(C)CC(=O)N2CCCC2)c([N+](=O)[O-])c1 ZINC001170318245 1003108239 /nfs/dbraw/zinc/10/82/39/1003108239.db2.gz NYLGBBYFOYLJND-CQSZACIVSA-N 1 0 363.458 2.915 20 5 FFBDRO COc1ccc(C[C@H](C)[NH2+][C@H]2CCN(Cc3cccnc3)C2)c([N+](=O)[O-])c1 ZINC001170319199 1003108440 /nfs/dbraw/zinc/10/84/40/1003108440.db2.gz UWLXJYADCHDVPV-YJBOKZPZSA-N 1 0 370.453 2.794 20 5 FFBDRO COc1ccc(C[C@H](C)[NH2+][C@@H]2CCN(C(=O)C(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC001170319192 1003108630 /nfs/dbraw/zinc/10/86/30/1003108630.db2.gz UTCVTIYPWUNIDL-DZGCQCFKSA-N 1 0 363.458 2.771 20 5 FFBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2ccc(OC)nc2OC)c([N+](=O)[O-])c1 ZINC001170318252 1003108960 /nfs/dbraw/zinc/10/89/60/1003108960.db2.gz NZAWYAIUXLKOAA-GFCCVEGCSA-N 1 0 361.398 2.736 20 5 FFBDRO CC[NH+](CC)C[C@H]1CN([C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CCO1 ZINC001170355721 1003122150 /nfs/dbraw/zinc/12/21/50/1003122150.db2.gz QHOLHUWXXIGAJN-QAPCUYQASA-N 1 0 365.474 2.577 20 5 FFBDRO CC[NH+](CC)C[C@H]1CN([C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CCO1 ZINC001170355722 1003122358 /nfs/dbraw/zinc/12/23/58/1003122358.db2.gz QHOLHUWXXIGAJN-YJBOKZPZSA-N 1 0 365.474 2.577 20 5 FFBDRO COc1ccc(C[C@H](C)[N@@H+]2CCC[C@@H](NC(=O)C3CC3)C2)c([N+](=O)[O-])c1 ZINC001170355181 1003122731 /nfs/dbraw/zinc/12/27/31/1003122731.db2.gz WYAAUFSKEFNWAL-XJKSGUPXSA-N 1 0 361.442 2.525 20 5 FFBDRO COc1ccc(C[C@H](C)[NH+]2CCC(N3CCCC3=O)CC2)c([N+](=O)[O-])c1 ZINC001170351778 1003136347 /nfs/dbraw/zinc/13/63/47/1003136347.db2.gz IQKWZVVFHHBATJ-AWEZNQCLSA-N 1 0 361.442 2.621 20 5 FFBDRO C[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H]1Cc1ccccc1 ZINC000792939748 1003226211 /nfs/dbraw/zinc/22/62/11/1003226211.db2.gz ICQBOUPVRCXVSL-GOSISDBHSA-N 1 0 370.409 2.862 20 5 FFBDRO C[C@H](O)[C@H](O)C[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC001203275928 1003413199 /nfs/dbraw/zinc/41/31/99/1003413199.db2.gz DHZQPCWCDFASQI-XHDPSFHLSA-N 1 0 366.801 2.872 20 5 FFBDRO O=[N+]([O-])c1cccc([N+](=O)[O-])c1NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000804497772 1003704707 /nfs/dbraw/zinc/70/47/07/1003704707.db2.gz IEELJUZJEGJGAQ-GOSISDBHSA-N 1 0 372.381 2.552 20 5 FFBDRO COc1ccc(C[C@@](C)([NH3+])CNc2c([N+](=O)[O-])cccc2[N+](=O)[O-])cc1 ZINC000804566240 1003729282 /nfs/dbraw/zinc/72/92/82/1003729282.db2.gz NTUQQVNFWCHKGT-QGZVFWFLSA-N 1 0 360.370 2.884 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H](n2ccnn2)CC1 ZINC001196525228 1003804804 /nfs/dbraw/zinc/80/48/04/1003804804.db2.gz FENXPDGIZGFHBO-OAHLLOKOSA-N 1 0 372.429 2.551 20 5 FFBDRO Cc1cc(Br)c2c(c1)CCN(CCn1cc([N+](=O)[O-])cn1)C2 ZINC001196868799 1003997635 /nfs/dbraw/zinc/99/76/35/1003997635.db2.gz CYLRHYBDWGBTNN-UHFFFAOYSA-N 1 0 365.231 2.921 20 5 FFBDRO CCOc1cc(C[NH+]2CCC(OC)(c3nccn3C)CC2)ccc1[N+](=O)[O-] ZINC001197458129 1004241074 /nfs/dbraw/zinc/24/10/74/1004241074.db2.gz HETTUTOPIQBPOH-UHFFFAOYSA-N 1 0 374.441 2.865 20 5 FFBDRO CC[NH+](CC)[C@@H](CNC(=O)c1cc(C)cc([N+](=O)[O-])c1N)c1ccco1 ZINC000104149196 1004435524 /nfs/dbraw/zinc/43/55/24/1004435524.db2.gz SPLPAUAMWCCGMQ-HNNXBMFYSA-N 1 0 360.414 2.891 20 5 FFBDRO COC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000775814083 1004459523 /nfs/dbraw/zinc/45/95/23/1004459523.db2.gz DXVWDNXELMVOFF-NWDGAFQWSA-N 1 0 362.386 2.693 20 5 FFBDRO CC[N@H+](C)[C@@H]1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC001198584208 1004683708 /nfs/dbraw/zinc/68/37/08/1004683708.db2.gz TUYHCJGRSDDDQN-LLVKDONJSA-N 1 0 358.345 2.754 20 5 FFBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000808192384 1004771347 /nfs/dbraw/zinc/77/13/47/1004771347.db2.gz RRVLJBIIMDNEAP-HNAYVOBHSA-N 1 0 355.442 2.974 20 5 FFBDRO O=C(Nc1ccccc1)C1CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776278318 1005345041 /nfs/dbraw/zinc/34/50/41/1005345041.db2.gz TUHJJWXOIBMCNW-LJQANCHMSA-N 1 0 369.421 2.979 20 5 FFBDRO C[N@@H+](Cc1cnn(-c2ccccc2)c1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776575304 1005953444 /nfs/dbraw/zinc/95/34/44/1005953444.db2.gz PUYUOJIKZDRPIJ-IBGZPJMESA-N 1 0 352.394 2.946 20 5 FFBDRO C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776582818 1005954460 /nfs/dbraw/zinc/95/44/60/1005954460.db2.gz VURHPTPUEOYMHZ-CJNGLKHVSA-N 1 0 365.430 2.569 20 5 FFBDRO CN(C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000776582191 1005962028 /nfs/dbraw/zinc/96/20/28/1005962028.db2.gz LRBNXZHVDJXGOY-MSOLQXFVSA-N 1 0 373.384 2.505 20 5 FFBDRO COC(=O)[C@H](C)[C@@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000776591433 1006006287 /nfs/dbraw/zinc/00/62/87/1006006287.db2.gz MHOGRPMFEABMCZ-JEBQAFNWSA-N 1 0 358.394 2.768 20 5 FFBDRO CC(C)[C@H]([NH2+]Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C1(CO)CCC1 ZINC001170711033 1006008447 /nfs/dbraw/zinc/00/84/47/1006008447.db2.gz MXVYIFAVQCKKSL-INIZCTEOSA-N 1 0 360.414 2.922 20 5 FFBDRO C[C@@H](C(=O)N1CCN(c2cc[nH+]cc2)[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000881632529 1006163969 /nfs/dbraw/zinc/16/39/69/1006163969.db2.gz BSUHLGFJYPWPBQ-LSDHHAIUSA-N 1 0 354.410 2.831 20 5 FFBDRO COc1ccc(CN2CC[C@@H]([NH2+]Cc3cccc([N+](=O)[O-])c3C)C2=O)cc1 ZINC000853076073 1006287176 /nfs/dbraw/zinc/28/71/76/1006287176.db2.gz FSNLXFFLCSQDOD-GOSISDBHSA-N 1 0 369.421 2.803 20 5 FFBDRO COc1ccccc1[C@H](O)C[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000853239917 1006346242 /nfs/dbraw/zinc/34/62/42/1006346242.db2.gz KESAKOMYYSTOQA-SUMWQHHRSA-N 1 0 373.409 2.644 20 5 FFBDRO O=C(Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1)c1ccc([N+](=O)[O-])cn1 ZINC000882394177 1006382094 /nfs/dbraw/zinc/38/20/94/1006382094.db2.gz RBXHVRCOGDRAKW-KRWDZBQOSA-N 1 0 367.409 2.527 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2ncn(CN3CC[C@@H](Oc4ccccc4)C3)n2)c1 ZINC000853594469 1006466383 /nfs/dbraw/zinc/46/63/83/1006466383.db2.gz QZDLRTCYHRJZIM-GOSISDBHSA-N 1 0 365.393 2.964 20 5 FFBDRO C[C@@H](c1ccccc1)[NH+]1CCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)CC1 ZINC000882810895 1006515221 /nfs/dbraw/zinc/51/52/21/1006515221.db2.gz GPOBHOPZBBZFPD-AWEZNQCLSA-N 1 0 356.426 2.553 20 5 FFBDRO O=C1COc2cc([N+](=O)[O-])c(N[C@@H]3CC[N@@H+](C4CCCCC4)C3)cc2N1 ZINC000853849795 1006555541 /nfs/dbraw/zinc/55/55/41/1006555541.db2.gz FDZVWMOMGQAEQH-GFCCVEGCSA-N 1 0 360.414 2.745 20 5 FFBDRO O=C(CC[N@@H+]1CCOC[C@H]1CC1CCC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000815293123 1006568175 /nfs/dbraw/zinc/56/81/75/1006568175.db2.gz XEOHAAIIXNGSJF-OAHLLOKOSA-N 1 0 365.405 2.954 20 5 FFBDRO O=c1[nH]ccc(Nc2ccc(N3CC[N@@H+]4CCC[C@H]4C3)cc2)c1[N+](=O)[O-] ZINC000882943984 1006570652 /nfs/dbraw/zinc/57/06/52/1006570652.db2.gz OQSNIQSXMNQRFG-HNNXBMFYSA-N 1 0 355.398 2.723 20 5 FFBDRO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)[C@H]2C1 ZINC001135059706 1006660027 /nfs/dbraw/zinc/66/00/27/1006660027.db2.gz OGWVPHGZKNTZTA-QCZZGDTMSA-N 1 0 357.332 2.684 20 5 FFBDRO C[C@@H]([NH2+]Cc1cc2ccccc2n(C)c1=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815629312 1006720734 /nfs/dbraw/zinc/72/07/34/1006720734.db2.gz ZQVFCELKGRVZEE-GFCCVEGCSA-N 1 0 352.394 2.880 20 5 FFBDRO Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)Cc3cccc([N+](=O)[O-])c3)C2)cc1 ZINC001152413010 1032162958 /nfs/dbraw/zinc/16/29/58/1032162958.db2.gz WCTKURGVCNEBHT-GOSISDBHSA-N 1 0 353.422 2.836 20 5 FFBDRO COc1ccc([C@H]2C[NH2+]CCN2C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000883521523 1006834363 /nfs/dbraw/zinc/83/43/63/1006834363.db2.gz JENKGUKSBKRGAL-QGZVFWFLSA-N 1 0 356.382 2.782 20 5 FFBDRO CC[N@H+](CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[C@H](C)C(C)C ZINC000112657210 1006988710 /nfs/dbraw/zinc/98/87/10/1006988710.db2.gz IJMGEDSRHZMMBU-MRXNPFEDSA-N 1 0 362.474 2.610 20 5 FFBDRO CC[NH+](CC)CCCOC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000800146261 1007182490 /nfs/dbraw/zinc/18/24/90/1007182490.db2.gz PELAMKCRFCSYMS-UHFFFAOYSA-N 1 0 360.414 2.884 20 5 FFBDRO O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])OCCC[NH+]1CCCCC1 ZINC000800198869 1007197933 /nfs/dbraw/zinc/19/79/33/1007197933.db2.gz YZNDRCWEQHWOHU-UHFFFAOYSA-N 1 0 365.386 2.855 20 5 FFBDRO CCC1([NH+]2CCC2)CCN(Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000884474856 1007458677 /nfs/dbraw/zinc/45/86/77/1007458677.db2.gz OLYHCSCQTLHRBC-UHFFFAOYSA-N 1 0 370.457 2.761 20 5 FFBDRO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC001135925193 1007628736 /nfs/dbraw/zinc/62/87/36/1007628736.db2.gz YBEMMQIYHQSCML-HNNXBMFYSA-N 1 0 359.401 2.945 20 5 FFBDRO Cc1c(C(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000855898771 1007629736 /nfs/dbraw/zinc/62/97/36/1007629736.db2.gz UXIBNFPUYWKTLY-LBPRGKRZSA-N 1 0 364.402 2.662 20 5 FFBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000856356143 1007787771 /nfs/dbraw/zinc/78/77/71/1007787771.db2.gz YCYVFFZHWLNIBQ-UFUQCMIWSA-N 1 0 351.406 2.999 20 5 FFBDRO C[C@H]([NH3+])c1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000817906284 1007806048 /nfs/dbraw/zinc/80/60/48/1007806048.db2.gz WOCXKZMGKQWYHF-AWEZNQCLSA-N 1 0 354.410 2.577 20 5 FFBDRO CC[N@H+](C)Cc1cc(O[C@H]2CCN(c3ncc([N+](=O)[O-])cc3C)C2)ccn1 ZINC000856533879 1007872990 /nfs/dbraw/zinc/87/29/90/1007872990.db2.gz QNZYYQSCOUCMNA-SFHVURJKSA-N 1 0 371.441 2.803 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]Cc2ccnc(N3CCCCC3)c2)cc1 ZINC000818964133 1007979705 /nfs/dbraw/zinc/97/97/05/1007979705.db2.gz LWPFHWOKUXNYID-GOSISDBHSA-N 1 0 356.426 2.803 20 5 FFBDRO CC(C)(C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 ZINC000818984869 1007999954 /nfs/dbraw/zinc/99/99/54/1007999954.db2.gz IOVIKUXCTSFJSU-KRWDZBQOSA-N 1 0 372.421 2.967 20 5 FFBDRO C[C@H](c1ccncc1)N1CCC([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000819183521 1008060337 /nfs/dbraw/zinc/06/03/37/1008060337.db2.gz PQODVHIDTWTWCD-QRWLVFNGSA-N 1 0 370.453 2.838 20 5 FFBDRO O=C1[C@@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CCCN1c1ccccc1F ZINC000819193528 1008062363 /nfs/dbraw/zinc/06/23/63/1008062363.db2.gz IFKDHSYOLZSLRA-WMZOPIPTSA-N 1 0 373.384 2.553 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@H]2CCN(c3ccccc3F)C2)cc1 ZINC000819327206 1008099319 /nfs/dbraw/zinc/09/93/19/1008099319.db2.gz ZCFPOGKYPHRHME-KUHUBIRLSA-N 1 0 359.401 2.883 20 5 FFBDRO C[NH+]1CCC2(CCN(C(=O)c3cc([N+](=O)[O-])ccc3N3CCCC3)C2)CC1 ZINC000819927385 1008250927 /nfs/dbraw/zinc/25/09/27/1008250927.db2.gz YYKWVFPADZFXCT-UHFFFAOYSA-N 1 0 372.469 2.753 20 5 FFBDRO O=C(Cc1cccc(F)c1[N+](=O)[O-])N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000820099684 1008285737 /nfs/dbraw/zinc/28/57/37/1008285737.db2.gz FOFFQYMWRRQXGI-MNZLEMJZSA-N 1 0 369.396 2.523 20 5 FFBDRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 ZINC000820503733 1008346377 /nfs/dbraw/zinc/34/63/77/1008346377.db2.gz MUUNEJHLTBTKHE-MAUKXSAKSA-N 1 0 374.485 2.996 20 5 FFBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)cc1[N+](=O)[O-] ZINC000116126822 1008368977 /nfs/dbraw/zinc/36/89/77/1008368977.db2.gz XRWAOXYBOUCVSK-OAHLLOKOSA-N 1 0 366.418 2.908 20 5 FFBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC001136379082 1008378322 /nfs/dbraw/zinc/37/83/22/1008378322.db2.gz UHAYSLSXGLAFTE-UTUOFQBUSA-N 1 0 368.865 2.927 20 5 FFBDRO CC(C)(C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C(=O)N1CCCC1 ZINC000858539280 1008379242 /nfs/dbraw/zinc/37/92/42/1008379242.db2.gz CFIFSXUDWRLOLN-UHFFFAOYSA-N 1 0 374.485 2.802 20 5 FFBDRO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000805797592 1008733456 /nfs/dbraw/zinc/73/34/56/1008733456.db2.gz KAIMXFMDMDPKDK-BBRMVZONSA-N 1 0 365.430 2.961 20 5 FFBDRO O=C(OCC[NH+]1CCCCC1)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1 ZINC000860287131 1008933148 /nfs/dbraw/zinc/93/31/48/1008933148.db2.gz AQPTWJRYMXCRIT-UHFFFAOYSA-N 1 0 362.361 2.562 20 5 FFBDRO O=[N+]([O-])c1c(N2CC[NH+](CCc3ccccc3)CC2)nc2ccccn21 ZINC000139594677 1008981944 /nfs/dbraw/zinc/98/19/44/1008981944.db2.gz KUCRJNRSYKUKDS-UHFFFAOYSA-N 1 0 351.410 2.607 20 5 FFBDRO Cc1ccc2ccccc2c1C[NH2+]C/C=C/CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001274016798 1009265196 /nfs/dbraw/zinc/26/51/96/1009265196.db2.gz OSVXFBYFUQYXHJ-MSIWKICXSA-N 1 0 353.422 2.575 20 5 FFBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823962329 1009280750 /nfs/dbraw/zinc/28/07/50/1009280750.db2.gz RLVWQKSMMFTGQX-SUMWQHHRSA-N 1 0 369.425 2.819 20 5 FFBDRO C[N@@H+]1C[C@@H]2CN(C(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)C[C@]2(C)C1 ZINC000887934736 1009686866 /nfs/dbraw/zinc/68/68/66/1009686866.db2.gz SLMZIUFTEQLLAT-ACJLOTCBSA-N 1 0 372.450 2.742 20 5 FFBDRO C[N@@H+]1CCCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 ZINC000862790207 1009975424 /nfs/dbraw/zinc/97/54/24/1009975424.db2.gz QKHABBMTAGZLAD-HNNXBMFYSA-N 1 0 360.458 2.657 20 5 FFBDRO CC[C@H](C)c1nnc([C@H](C)[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)[nH]1 ZINC001181426809 1010092950 /nfs/dbraw/zinc/09/29/50/1010092950.db2.gz DYTNVFDQRZDULC-STQMWFEESA-N 1 0 373.461 2.941 20 5 FFBDRO O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CCC([NH2+]C2CCC2)CC1 ZINC000889838450 1010147519 /nfs/dbraw/zinc/14/75/19/1010147519.db2.gz JEJOWSJKINXBEH-UHFFFAOYSA-N 1 0 372.469 2.942 20 5 FFBDRO C[NH+](C)C1(CN2C(=O)N[C@@](C)(c3cccc([N+](=O)[O-])c3)C2=O)CCCCC1 ZINC000863500354 1010228847 /nfs/dbraw/zinc/22/88/47/1010228847.db2.gz RKOTWBDMFILLSQ-SFHVURJKSA-N 1 0 374.441 2.626 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCc2cccc3c2OC(F)(F)O3)c1 ZINC000863570103 1010257495 /nfs/dbraw/zinc/25/74/95/1010257495.db2.gz CPPNLPKMHCWTCM-CQSZACIVSA-N 1 0 366.320 2.782 20 5 FFBDRO C[N@H+](CN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O)[C@@H]1CCC(C)(C)C1 ZINC000794688344 1010474372 /nfs/dbraw/zinc/47/43/72/1010474372.db2.gz YKPFAOIYBFZVLJ-BEFAXECRSA-N 1 0 374.441 2.830 20 5 FFBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]C[C@H]2CC3(CO2)CCOCC3)c1 ZINC000865780928 1010860976 /nfs/dbraw/zinc/86/09/76/1010860976.db2.gz TTYHSSOYPYIBMR-CQSZACIVSA-N 1 0 372.368 2.872 20 5 FFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C1CCN(C[C@@H]2CCCO2)CC1 ZINC000866266891 1010966751 /nfs/dbraw/zinc/96/67/51/1010966751.db2.gz UBMZXWNHDVMVLB-KDOFPFPSSA-N 1 0 365.449 2.898 20 5 FFBDRO Cc1ccoc1C(=O)NCCC[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866298662 1010973041 /nfs/dbraw/zinc/97/30/41/1010973041.db2.gz CBEQZXKRBKNYQC-CYBMUJFWSA-N 1 0 363.389 2.976 20 5 FFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1CCC2(CCOCC2)[C@@H]1O ZINC000866352913 1010982186 /nfs/dbraw/zinc/98/21/86/1010982186.db2.gz BZHPLUCKRNNWBI-QIIPPGSGSA-N 1 0 366.433 2.822 20 5 FFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C(c1ccnn1C)c1ccnn1C ZINC000866398600 1010987346 /nfs/dbraw/zinc/98/73/46/1010987346.db2.gz OZIQKAQIWLCKMG-LBPRGKRZSA-N 1 0 372.404 2.511 20 5 FFBDRO NC(=O)c1ccccc1OCC[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172903215 1012076485 /nfs/dbraw/zinc/07/64/85/1012076485.db2.gz PLXCBDOURSBGCJ-MRXNPFEDSA-N 1 0 369.421 2.610 20 5 FFBDRO O=C1NCCC2(CC[NH+]([C@@H]3CCc4ccc([N+](=O)[O-])cc4CC3)CC2)O1 ZINC001172921373 1012101079 /nfs/dbraw/zinc/10/10/79/1012101079.db2.gz PKLQGHXFSGGDLW-MRXNPFEDSA-N 1 0 359.426 2.807 20 5 FFBDRO Cn1cnnc1C1CC[NH+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172919174 1012101349 /nfs/dbraw/zinc/10/13/49/1012101349.db2.gz FCVKTLMQRTTXLW-QGZVFWFLSA-N 1 0 355.442 2.850 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH2+]C[C@H]3CC[C@@H](O)C3)CC2)c(F)c1 ZINC001173006340 1012174921 /nfs/dbraw/zinc/17/49/21/1012174921.db2.gz REMXLIGWLREYMW-SMDDNHRTSA-N 1 0 355.385 2.592 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH2+]C[C@H]3CCC[C@@H](O)C3)CC2)c(F)c1 ZINC001173010057 1012180022 /nfs/dbraw/zinc/18/00/22/1012180022.db2.gz QXYSTINTBYWSRB-SWLSCSKDSA-N 1 0 369.412 2.983 20 5 FFBDRO C[C@]1(C[NH2+]C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)CCOC1 ZINC001173013469 1012184695 /nfs/dbraw/zinc/18/46/95/1012184695.db2.gz UXUFRMTVOCMVJK-QGZVFWFLSA-N 1 0 355.385 2.858 20 5 FFBDRO CC[N@H+](CC(C)(C)O)C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173015226 1012187089 /nfs/dbraw/zinc/18/70/89/1012187089.db2.gz MOKNHXXHOKYBQE-UHFFFAOYSA-N 1 0 357.401 2.935 20 5 FFBDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)c2cc(F)cc3c2[nH]c2ccc(F)cc2c3=O)C1 ZINC000646954871 1012299386 /nfs/dbraw/zinc/29/93/86/1012299386.db2.gz DIQLZRNJIQEFLV-GHMZBOCLSA-N 1 0 371.387 2.769 20 5 FFBDRO CCOC(=O)CCCC[NH2+][C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173176527 1012319063 /nfs/dbraw/zinc/31/90/63/1012319063.db2.gz HUWURQQIJCIETO-LBPRGKRZSA-N 1 0 356.394 2.997 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@H]2CC[C@H](NC(C)=O)CC2)c1F ZINC001173177329 1012319643 /nfs/dbraw/zinc/31/96/43/1012319643.db2.gz ATBHDTOVHVJYMP-UBHSHLNASA-N 1 0 367.421 2.710 20 5 FFBDRO COC(=O)[C@@H]1CCC[C@@H]([NH2+][C@@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C1 ZINC001173179324 1012321304 /nfs/dbraw/zinc/32/13/04/1012321304.db2.gz OVOZZBVZDTWTDX-YNEHKIRRSA-N 1 0 368.405 2.995 20 5 FFBDRO COCC1(C[NH2+][C@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])CCOCC1 ZINC001173178818 1012321365 /nfs/dbraw/zinc/32/13/65/1012321365.db2.gz IOYAGSJHJVGIIJ-CYBMUJFWSA-N 1 0 370.421 2.706 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CCN2CCC(F)(F)C2)c1F ZINC001173178214 1012322003 /nfs/dbraw/zinc/32/20/03/1012322003.db2.gz BPBNNZKQJABQND-NSHDSACASA-N 1 0 361.364 2.604 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C2(CO)CCSCC2)c1F ZINC001173183549 1012325708 /nfs/dbraw/zinc/32/57/08/1012325708.db2.gz MKMNMNLLZAZFAU-NSHDSACASA-N 1 0 358.435 2.521 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C2CN(CC(F)(F)F)C2)c1F ZINC001173182561 1012326640 /nfs/dbraw/zinc/32/66/40/1012326640.db2.gz GWJCDISCCOEFHS-SECBINFHSA-N 1 0 365.327 2.510 20 5 FFBDRO COC(=O)[C@H]1CCC[N@@H+]([C@@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C1 ZINC001173185911 1012330266 /nfs/dbraw/zinc/33/02/66/1012330266.db2.gz QAQJIZYDRHVNLA-RYUDHWBXSA-N 1 0 354.378 2.559 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+](C)[C@@H]2CCC3(C2)OCCO3)c1F ZINC001173193629 1012335624 /nfs/dbraw/zinc/33/56/24/1012335624.db2.gz UUKXOQOHLAZBSF-CHWSQXEVSA-N 1 0 368.405 2.901 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CCC[C@@H]3C[N@H+](C)C[C@@H]32)c1F ZINC001173195433 1012338514 /nfs/dbraw/zinc/33/85/14/1012338514.db2.gz FXVJPGYCSGUWHB-ZENOOKHLSA-N 1 0 351.422 2.700 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]Cc2ccc(Cl)nn2)c1F ZINC001173194194 1012338536 /nfs/dbraw/zinc/33/85/36/1012338536.db2.gz YRTBMNSQBFNHQS-SECBINFHSA-N 1 0 354.769 2.907 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CC([NH+]3CCCCC3)C2)c1F ZINC001173197334 1012341353 /nfs/dbraw/zinc/34/13/53/1012341353.db2.gz TVABJDBKIARMBT-ZDUSSCGKSA-N 1 0 351.422 2.844 20 5 FFBDRO Cc1noc(C[C@@H]2C[C@H]3C[N@@H+]([C@H](C)Cc4ccc([N+](=O)[O-])cc4)C[C@H]3O2)n1 ZINC001173222800 1012353916 /nfs/dbraw/zinc/35/39/16/1012353916.db2.gz CJBAHZNKCWEWPF-BGIURUKPSA-N 1 0 372.425 2.549 20 5 FFBDRO Cc1cc(N2CC[NH+]([C@@H](C)Cc3ccc([N+](=O)[O-])cc3)CC2)nc(C)n1 ZINC001173226581 1012361690 /nfs/dbraw/zinc/36/16/90/1012361690.db2.gz KNIKJEVYXSCEJK-HNNXBMFYSA-N 1 0 355.442 2.755 20 5 FFBDRO C[N@H+](C1CCCC1)C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001173698215 1012902899 /nfs/dbraw/zinc/90/28/99/1012902899.db2.gz HCMZVUYNLFCJBF-UHFFFAOYSA-N 1 0 367.471 2.622 20 5 FFBDRO C[C@@H]([NH2+]C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)C1CCC1 ZINC001173694180 1012903170 /nfs/dbraw/zinc/90/31/70/1012903170.db2.gz BLYKZSVUUIENOM-CYBMUJFWSA-N 1 0 367.471 2.526 20 5 FFBDRO C[N@@H+]1CC[C@H]2CN(C(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)CC[C@@H]21 ZINC000827330621 1017639856 /nfs/dbraw/zinc/63/98/56/1017639856.db2.gz QBULSIVHDZNGPY-BBRMVZONSA-N 1 0 372.450 2.885 20 5 FFBDRO Nc1ccc2c(c1)C[N@H+]([C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)CCO2 ZINC000925755799 1017841918 /nfs/dbraw/zinc/84/19/18/1017841918.db2.gz YMVREPUAXFRCSZ-JKSUJKDBSA-N 1 0 357.414 2.752 20 5 FFBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@H]1CCN1C1CCOCC1)C1CC1 ZINC000927108362 1018368564 /nfs/dbraw/zinc/36/85/64/1018368564.db2.gz ITCFXKPYWQXUKK-MOPGFXCFSA-N 1 0 359.470 2.759 20 5 FFBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[C@H](O)C12CCOCC2 ZINC000927153727 1018382119 /nfs/dbraw/zinc/38/21/19/1018382119.db2.gz CCZOJUGLYFBEDM-CBVHJVASSA-N 1 0 360.454 2.826 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H]1CCc2ccccc2OC1 ZINC000801570721 1019126625 /nfs/dbraw/zinc/12/66/25/1019126625.db2.gz IITYWKDONJKOJJ-OAHLLOKOSA-N 1 0 355.394 2.825 20 5 FFBDRO O=C(CC[N@H+]1CC[C@](O)(c2ccc(F)cc2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000777734473 1019202845 /nfs/dbraw/zinc/20/28/45/1019202845.db2.gz QQKCVIXECSOSEP-LJQANCHMSA-N 1 0 373.384 2.656 20 5 FFBDRO Cc1ccccc1Cc1nnc(C[C@H]([NH3+])Cc2ccc([N+](=O)[O-])cc2)o1 ZINC001217716043 1032848789 /nfs/dbraw/zinc/84/87/89/1032848789.db2.gz APKQENNSUALWMW-MRXNPFEDSA-N 1 0 352.394 2.990 20 5 FFBDRO CC(C)c1ccccc1C[NH+]1CCC(C)(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001045437239 1019965770 /nfs/dbraw/zinc/96/57/70/1019965770.db2.gz JDGZXWQQUFLEIG-QZTJIDSGSA-N 1 0 359.470 2.946 20 5 FFBDRO COc1cn(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)c(C)cc1=O ZINC000902291711 1020058857 /nfs/dbraw/zinc/05/88/57/1020058857.db2.gz XZVXEUFERCNWIK-INIZCTEOSA-N 1 0 357.410 2.911 20 5 FFBDRO COC(=O)[C@H]1CC12CC[NH+](Cn1cc(-c3cccc([N+](=O)[O-])c3)cn1)CC2 ZINC000777955269 1020322760 /nfs/dbraw/zinc/32/27/60/1020322760.db2.gz JXKZDUHRGBDWCX-QGZVFWFLSA-N 1 0 370.409 2.691 20 5 FFBDRO CN(CCc1cccc([N+](=O)[O-])c1)Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000800866351 1020609903 /nfs/dbraw/zinc/60/99/03/1020609903.db2.gz YQHJEOLIPUYVTP-UHFFFAOYSA-N 1 0 372.337 2.543 20 5 FFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2C[C@@H]3COC[C@]3(c3ccccc3)C2)c1 ZINC000931905093 1020626015 /nfs/dbraw/zinc/62/60/15/1020626015.db2.gz BLSJBMJVDICDIJ-HOJAQTOUSA-N 1 0 354.406 2.528 20 5 FFBDRO COc1cc([C@@H](C)[NH2+][C@H]2CCCN(c3cc(C)nn3C)C2)cc([N+](=O)[O-])c1 ZINC000903161536 1020710010 /nfs/dbraw/zinc/71/00/10/1020710010.db2.gz UKTSOWQIUZSSHA-ZBFHGGJFSA-N 1 0 373.457 2.965 20 5 FFBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000932214364 1020744264 /nfs/dbraw/zinc/74/42/64/1020744264.db2.gz COBXLNFPYSTBGR-MRXNPFEDSA-N 1 0 355.394 2.793 20 5 FFBDRO CCOc1cc(N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000749280811 1020915031 /nfs/dbraw/zinc/91/50/31/1020915031.db2.gz GSQKGCDNTWLXKI-LJQANCHMSA-N 1 0 371.437 2.849 20 5 FFBDRO O=C(c1ccccc1)N1CCC([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000749666562 1021019002 /nfs/dbraw/zinc/01/90/02/1021019002.db2.gz RIKYNPZXFQHIHS-IBGZPJMESA-N 1 0 369.421 2.523 20 5 FFBDRO C[C@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)N1CCc2ccccc2C1 ZINC000749675379 1021019045 /nfs/dbraw/zinc/01/90/45/1021019045.db2.gz YWDRWNSCRDPUIS-FOIQADDNSA-N 1 0 355.438 2.665 20 5 FFBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000933944555 1021118523 /nfs/dbraw/zinc/11/85/23/1021118523.db2.gz HWNPLBRVASAECB-SNRMKQJTSA-N 1 0 357.454 2.889 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C2(c3ccc4c(c3)OCCO4)CC2)c1 ZINC000933998874 1021126534 /nfs/dbraw/zinc/12/65/34/1021126534.db2.gz FCHVBPSFOQXSFL-MRXNPFEDSA-N 1 0 356.378 2.678 20 5 FFBDRO COc1ccccc1N1CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000934176040 1021158287 /nfs/dbraw/zinc/15/82/87/1021158287.db2.gz NIHPPEULTKDCKM-LJQANCHMSA-N 1 0 371.437 2.849 20 5 FFBDRO CC(C)(C)[NH+]1CCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC001116324937 1021166927 /nfs/dbraw/zinc/16/69/27/1021166927.db2.gz WJJQYPMSBXGRKC-UHFFFAOYSA-N 1 0 354.838 2.603 20 5 FFBDRO Cn1cc([C@@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)cn1 ZINC001116556455 1021281999 /nfs/dbraw/zinc/28/19/99/1021281999.db2.gz OTKGUSXFFMQQEL-OALUTQOASA-N 1 0 352.394 2.741 20 5 FFBDRO C[C@@H](C(=O)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC001116684006 1021353414 /nfs/dbraw/zinc/35/34/14/1021353414.db2.gz FFNZNVAZPZNNJU-ZACQAIPSSA-N 1 0 374.485 2.500 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCC[C@@H]([C@@H]2CCOC2)C1 ZINC000934836971 1021421744 /nfs/dbraw/zinc/42/17/44/1021421744.db2.gz GUIPBEFTCXMJCB-HZPDHXFCSA-N 1 0 361.442 2.980 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(C[N@@H+]2CC[C@H](O)[C@@H](CO)C2)o1 ZINC001118013599 1022018868 /nfs/dbraw/zinc/01/88/68/1022018868.db2.gz ZQPLRMJHPIGTQV-BZNIZROVSA-N 1 0 366.801 2.683 20 5 FFBDRO O=C(Nc1ccc2c(c1)C[NH2+]CCO2)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001118021436 1022023761 /nfs/dbraw/zinc/02/37/61/1022023761.db2.gz HEYCMCWWEACUCL-UHFFFAOYSA-N 1 0 354.366 2.625 20 5 FFBDRO COc1cccc(N2CCC([NH2+]C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC001118087739 1022059652 /nfs/dbraw/zinc/05/96/52/1022059652.db2.gz FDWDXLOEAPVLFK-HXUWFJFHSA-N 1 0 371.437 2.895 20 5 FFBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](c2ccccc2)[C@H]([NH3+])C1 ZINC001118540740 1022280506 /nfs/dbraw/zinc/28/05/06/1022280506.db2.gz BLUJYFMBUDTDOB-NVXWUHKLSA-N 1 0 354.410 2.594 20 5 FFBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NCC2CC[NH+](C)CC2)CC1 ZINC000116533882 1022410647 /nfs/dbraw/zinc/41/06/47/1022410647.db2.gz AQLLEOZTMFPOLG-UHFFFAOYSA-N 1 0 374.485 2.903 20 5 FFBDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)C1 ZINC001119385364 1022729437 /nfs/dbraw/zinc/72/94/37/1022729437.db2.gz LJHQTHAZZIDUET-AWEZNQCLSA-N 1 0 368.409 2.699 20 5 FFBDRO O=[N+]([O-])c1c(N2CC[C@@H](C[NH+]3CCOCC3)C2)cccc1C(F)(F)F ZINC001119406174 1022745083 /nfs/dbraw/zinc/74/50/83/1022745083.db2.gz FKICNYAWJXYFOJ-LBPRGKRZSA-N 1 0 359.348 2.772 20 5 FFBDRO Cc1cccc(C[N@H+](CC2CC2)C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 ZINC001039485507 1022759430 /nfs/dbraw/zinc/75/94/30/1022759430.db2.gz BPXHSSZCTGYTMB-WOJBJXKFSA-N 1 0 371.481 2.863 20 5 FFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(C1)CC[NH+](CC1CC3(CCC3)C1)CC2 ZINC001040701299 1022954336 /nfs/dbraw/zinc/95/43/36/1022954336.db2.gz XQJKDWSFLPHWSH-IAGOWNOFSA-N 1 0 361.486 2.546 20 5 FFBDRO Cc1ccc(C(=O)N[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1[N+](=O)[O-] ZINC001122402683 1023247641 /nfs/dbraw/zinc/24/76/41/1023247641.db2.gz YGTPWSDNKKSVES-OXJNMPFZSA-N 1 0 367.405 2.889 20 5 FFBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)NC1(C2CC[NH2+]CC2)CC1 ZINC001120513369 1023346189 /nfs/dbraw/zinc/34/61/89/1023346189.db2.gz KHGBGBFVYGJQOU-UHFFFAOYSA-N 1 0 360.458 2.749 20 5 FFBDRO O=[N+]([O-])c1ccccc1N1CC[C@H](Oc2ccccc2N2CC[NH2+]CC2)C1 ZINC001218382866 1033129254 /nfs/dbraw/zinc/12/92/54/1033129254.db2.gz CQSIFUPNPRREQP-INIZCTEOSA-N 1 0 368.437 2.662 20 5 FFBDRO CC(C)Cn1c([C@H](C)[N+](=O)[O-])nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC001122823390 1023496456 /nfs/dbraw/zinc/49/64/56/1023496456.db2.gz ZAPYHYJMFZTFSL-CABCVRRESA-N 1 0 364.494 2.582 20 5 FFBDRO CC(C)Cn1c([C@H](C)[N+](=O)[O-])nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC001122823391 1023496885 /nfs/dbraw/zinc/49/68/85/1023496885.db2.gz ZAPYHYJMFZTFSL-GJZGRUSLSA-N 1 0 364.494 2.582 20 5 FFBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000190368568 1023622326 /nfs/dbraw/zinc/62/23/26/1023622326.db2.gz QLRBXFQPVHKYKN-UHFFFAOYSA-N 1 0 368.437 2.819 20 5 FFBDRO C[N@@H+]1C[C@@H]2CN(C(=O)c3c([N+](=O)[O-])cccc3C(F)(F)F)C[C@]2(C)C1 ZINC001121236753 1023662863 /nfs/dbraw/zinc/66/28/63/1023662863.db2.gz BQYFHMBDQXYXDG-BMIGLBTASA-N 1 0 357.332 2.637 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])[C@H](C)C1 ZINC001123268820 1023715883 /nfs/dbraw/zinc/71/58/83/1023715883.db2.gz UIQDHYDADBXENI-IUODEOHRSA-N 1 0 350.419 2.797 20 5 FFBDRO COc1ccc(NC(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC001123372475 1023765198 /nfs/dbraw/zinc/76/51/98/1023765198.db2.gz NXTNICOXDQOVLG-GFCCVEGCSA-N 1 0 350.419 2.797 20 5 FFBDRO O=c1c2cc(O[C@@H]3C[NH2+]CCC3(F)F)c(O)cc2oc2cccc(O)c12 ZINC001218447935 1033160557 /nfs/dbraw/zinc/16/05/57/1033160557.db2.gz KHLBKXCWIDCBFI-OAHLLOKOSA-N 1 0 363.316 2.733 20 5 FFBDRO O=C([C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)N1CCC(Cc2c[nH]cn2)CC1 ZINC001123984953 1024198513 /nfs/dbraw/zinc/19/85/13/1024198513.db2.gz APGGCXUXRFBMPY-QZTJIDSGSA-N 1 0 354.410 2.903 20 5 FFBDRO CC[NH+](CC)CC[C@@H](C)NC(=O)c1cc(F)c([N+](=O)[O-])cc1NC(C)=O ZINC001124046569 1024255713 /nfs/dbraw/zinc/25/57/13/1024255713.db2.gz FYHOLRZDUCKPME-LLVKDONJSA-N 1 0 368.409 2.543 20 5 FFBDRO O=C(Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001122071705 1024318378 /nfs/dbraw/zinc/31/83/78/1024318378.db2.gz YLWSAFAMKIHYAZ-QYZOEREBSA-N 1 0 367.405 2.998 20 5 FFBDRO CC(C)(C)OC(=O)NCC[C@@H](O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000795222202 1025362267 /nfs/dbraw/zinc/36/22/67/1025362267.db2.gz QNDSNMHSXSSTSK-CYBMUJFWSA-N 1 0 367.446 2.695 20 5 FFBDRO C[N+](C)(C)C[C@H](O)CC(=O)OC1c2ccccc2CCc2ccccc21 ZINC001223110230 1033292729 /nfs/dbraw/zinc/29/27/29/1033292729.db2.gz CNGMBHIASNWEDF-GOSISDBHSA-N 1 0 354.470 2.875 20 5 FFBDRO CC(C)(C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])[C@H]1COCC12OCCO2 ZINC000839177121 1026612737 /nfs/dbraw/zinc/61/27/37/1026612737.db2.gz VKIDIGYRCWJPKK-XTKXOIQPSA-N 1 0 362.426 2.613 20 5 FFBDRO C[N@@H+]1CCC[C@@]2(CCN(Cn3cc(-c4cccc([N+](=O)[O-])c4)cn3)C2)C1 ZINC000840086534 1026951113 /nfs/dbraw/zinc/95/11/13/1026951113.db2.gz MQRRNQWXYGQGKM-LJQANCHMSA-N 1 0 355.442 2.834 20 5 FFBDRO O=c1oc2cccc([N+](=O)[O-])c2n1C[N@@H+]1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000840130968 1026973204 /nfs/dbraw/zinc/97/32/04/1026973204.db2.gz WIVHYUWDQIPROR-KGLIPLIRSA-N 1 0 373.409 2.741 20 5 FFBDRO COC(=O)[C@]1(C)CCC[N@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000840184050 1027001621 /nfs/dbraw/zinc/00/16/21/1027001621.db2.gz JFLNDUIOKGATPT-GOSISDBHSA-N 1 0 358.398 2.691 20 5 FFBDRO C[N@@H+]1CCCC[C@@H]1CCOC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000840230820 1027013611 /nfs/dbraw/zinc/01/36/11/1027013611.db2.gz LRXVIFMRVRTZLF-GFCCVEGCSA-N 1 0 359.382 2.880 20 5 FFBDRO CSc1nc(Cl)nc(N2c3ccccc3OC[C@H]2C[NH3+])c1[N+](=O)[O-] ZINC001160201613 1027634530 /nfs/dbraw/zinc/63/45/30/1027634530.db2.gz YZPXYJYBVNVMRE-MRVPVSSYSA-N 1 0 367.818 2.618 20 5 FFBDRO CCOC(=O)c1cc(Nc2cccc3c2[C@H]2C[NH2+]C[C@H]2O3)cc([N+](=O)[O-])c1 ZINC001160394323 1027692679 /nfs/dbraw/zinc/69/26/79/1027692679.db2.gz HGNQPVVBTOYLBU-WMLDXEAASA-N 1 0 369.377 2.963 20 5 FFBDRO Cc1nc(Cl)c([N+](=O)[O-])c(NC2(Cc3ccccn3)CC[NH2+]CC2)n1 ZINC001161492255 1028197602 /nfs/dbraw/zinc/19/76/02/1028197602.db2.gz YJWXMGCGFSYHDZ-UHFFFAOYSA-N 1 0 362.821 2.518 20 5 FFBDRO Cc1cc(Cl)c(NS(=O)(=O)c2ccc(C[NH3+])cc2)c([N+](=O)[O-])c1 ZINC001161754199 1028305146 /nfs/dbraw/zinc/30/51/46/1028305146.db2.gz UVDLQTCKMGHJEU-UHFFFAOYSA-N 1 0 355.803 2.816 20 5 FFBDRO CSc1nc(Cl)nc(N(CC[NH3+])c2ccc(F)cc2)c1[N+](=O)[O-] ZINC001161880666 1028347180 /nfs/dbraw/zinc/34/71/80/1028347180.db2.gz NUXIPBSXLHULJS-UHFFFAOYSA-N 1 0 357.798 2.996 20 5 FFBDRO CC(C)C[C@@H](CNc1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-])[NH+](C)C ZINC001162078921 1028422124 /nfs/dbraw/zinc/42/21/24/1028422124.db2.gz PKPLLSMVMZPWRB-ZDUSSCGKSA-N 1 0 361.402 2.861 20 5 FFBDRO CCOC1(OCC)CC[NH2+]C[C@H]1Nc1ccnc2c1cccc2[N+](=O)[O-] ZINC001162736928 1028638683 /nfs/dbraw/zinc/63/86/83/1028638683.db2.gz DNGCRRGFRKXEIC-MRXNPFEDSA-N 1 0 360.414 2.686 20 5 FFBDRO CC(C)Oc1nc(NC[C@@H]2CCC3(CC[NH2+]CC3)CO2)ccc1[N+](=O)[O-] ZINC001155386068 1028714000 /nfs/dbraw/zinc/71/40/00/1028714000.db2.gz YWFVUNZBMPTAGA-AWEZNQCLSA-N 1 0 364.446 2.738 20 5 FFBDRO CSc1nc(Cl)c([N+](=O)[O-])c(Nc2ccc([C@@H](C[NH3+])CO)cc2)n1 ZINC001163051490 1028773807 /nfs/dbraw/zinc/77/38/07/1028773807.db2.gz ZHIJROSAILENFQ-VIFPVBQESA-N 1 0 369.834 2.538 20 5 FFBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N[C@@H]1CC[NH2+][C@H]1c1ccccc1 ZINC001155549147 1028786656 /nfs/dbraw/zinc/78/66/56/1028786656.db2.gz IJHABZCQRCMRGD-CVEARBPZSA-N 1 0 356.382 2.682 20 5 FFBDRO Cc1ccc(-c2ccc(N[C@H]3CCO[C@@]4(CC[NH2+]C4)C3)nn2)cc1[N+](=O)[O-] ZINC001155626193 1028822705 /nfs/dbraw/zinc/82/27/05/1028822705.db2.gz SATNEBQQPZGWDB-KXBFYZLASA-N 1 0 369.425 2.683 20 5 FFBDRO COC(=O)c1ccc([C@@H]([NH3+])CNc2ncc([N+](=O)[O-])cc2Cl)cc1 ZINC001163462837 1028935579 /nfs/dbraw/zinc/93/55/79/1028935579.db2.gz VJJUBKNVEFVNDM-ZDUSSCGKSA-N 1 0 350.762 2.542 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccccc2)c1 ZINC001163825617 1029076430 /nfs/dbraw/zinc/07/64/30/1029076430.db2.gz IGAWWCOJNBATDS-IRXDYDNUSA-N 1 0 367.405 2.845 20 5 FFBDRO O=C(Nc1ccncc1[N+](=O)[O-])NC1CC[NH+](CC2CCCCC2)CC1 ZINC000781448734 1029221127 /nfs/dbraw/zinc/22/11/27/1029221127.db2.gz UESMZYSNYDWYQU-UHFFFAOYSA-N 1 0 361.446 2.578 20 5 FFBDRO CN(C)/C=C\c1cc(N2CCC(C)([NH+]3CCCC3)CC2)ncc1[N+](=O)[O-] ZINC001165194838 1029441590 /nfs/dbraw/zinc/44/15/90/1029441590.db2.gz ZFJGCWGWQVVCGS-WDZFZDKYSA-N 1 0 359.474 2.977 20 5 FFBDRO C[N@H+](Cc1ccc(F)cc1)C1CCN(c2ncc([N+](=O)[O-])cc2N)CC1 ZINC001157074566 1029458350 /nfs/dbraw/zinc/45/83/50/1029458350.db2.gz KNOCVDMEGAHDJT-UHFFFAOYSA-N 1 0 359.405 2.812 20 5 FFBDRO C[NH+](C)Cc1ccccc1NC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000781938841 1029483775 /nfs/dbraw/zinc/48/37/75/1029483775.db2.gz AZHTWWOHAFQNKB-GOSISDBHSA-N 1 0 368.393 2.788 20 5 FFBDRO C[C@H](NC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000781991486 1029512593 /nfs/dbraw/zinc/51/25/93/1029512593.db2.gz UKHRLDZFCLFFQV-LBPRGKRZSA-N 1 0 366.418 2.528 20 5 FFBDRO O=[N+]([O-])c1cnc(N(Cc2ccccc2)[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001157425547 1029582472 /nfs/dbraw/zinc/58/24/72/1029582472.db2.gz ADKFNOKAMKOXIP-CQSZACIVSA-N 1 0 357.370 2.657 20 5 FFBDRO C[N@H+](Cc1ccccc1)C1CN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])C1 ZINC001157527930 1029608302 /nfs/dbraw/zinc/60/83/02/1029608302.db2.gz PYBIEUICRQMZTG-UHFFFAOYSA-N 1 0 357.385 2.619 20 5 FFBDRO [NH3+]Cc1ccc2ncn(-c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)nn3)c2c1 ZINC001158012031 1029709112 /nfs/dbraw/zinc/70/91/12/1029709112.db2.gz BCVRPGVLKSQLCC-UHFFFAOYSA-N 1 0 364.340 2.989 20 5 FFBDRO Cc1c[nH+]ccc1N1CCN(c2cnc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC001158103919 1029734226 /nfs/dbraw/zinc/73/42/26/1029734226.db2.gz FKRKRQRXWFYLDC-UHFFFAOYSA-N 1 0 350.382 2.568 20 5 FFBDRO CSc1nc(Cl)nc(-n2ncc3c2cccc3C[NH3+])c1[N+](=O)[O-] ZINC001158311295 1029794514 /nfs/dbraw/zinc/79/45/14/1029794514.db2.gz KPSDNHOPHVNCFH-UHFFFAOYSA-N 1 0 350.791 2.558 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC(C)(C)[C@H]1COCC12OCCO2 ZINC000840802555 1029885896 /nfs/dbraw/zinc/88/58/96/1029885896.db2.gz MFONYWOGCWWWDM-RHSMWYFYSA-N 1 0 364.442 2.970 20 5 FFBDRO C[C@H]([NH2+][C@@H](COC(N)=O)Cc1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000840863479 1029896802 /nfs/dbraw/zinc/89/68/02/1029896802.db2.gz JJYASAIMZDCOIL-SWLSCSKDSA-N 1 0 358.398 2.948 20 5 FFBDRO COc1cc(C)nc(N2CCC3(CC[NH2+]CC3)[C@@H]2C(F)(F)F)c1[N+](=O)[O-] ZINC001165266685 1029922159 /nfs/dbraw/zinc/92/21/59/1029922159.db2.gz SGIWZUGYIIITHF-CQSZACIVSA-N 1 0 374.363 2.818 20 5 FFBDRO O=[N+]([O-])c1cnc(Cl)nc1N1CCC2(CC[NH2+]CC2)[C@H]1C(F)(F)F ZINC001165266030 1029922247 /nfs/dbraw/zinc/92/22/47/1029922247.db2.gz XXPAOTQLTSNHFE-JTQLQIEISA-N 1 0 365.743 2.549 20 5 FFBDRO COc1cnc(N2[C@H](C(F)(F)F)CCC23CC[NH2+]CC3)c([N+](=O)[O-])c1 ZINC001165304129 1029937650 /nfs/dbraw/zinc/93/76/50/1029937650.db2.gz MUDSLDGQOHMRDZ-LBPRGKRZSA-N 1 0 360.336 2.652 20 5 FFBDRO Cc1cccc(N(c2cc(N)c([N+](=O)[O-])cn2)[C@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001165772620 1030119020 /nfs/dbraw/zinc/11/90/20/1030119020.db2.gz HVAWTZPXOWYNAX-BEFAXECRSA-N 1 0 369.425 2.540 20 5 FFBDRO Cc1cccc(N(c2nc(C)ncc2[N+](=O)[O-])[C@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC001165773516 1030120314 /nfs/dbraw/zinc/12/03/14/1030120314.db2.gz LBORLACIKKAPGZ-VQIMIIECSA-N 1 0 369.425 2.661 20 5 FFBDRO COc1nc(C)nc(NC[C@@H](c2ccccc2)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC001166864627 1030554889 /nfs/dbraw/zinc/55/48/89/1030554889.db2.gz DXNKDFYQPSLOMR-HNNXBMFYSA-N 1 0 357.414 2.951 20 5 FFBDRO CCC[NH2+][C@H]1CCc2c(sc(=N)n2-c2nccc(Cl)c2[N+](=O)[O-])C1 ZINC001166870688 1030556296 /nfs/dbraw/zinc/55/62/96/1030556296.db2.gz LJDDRUGFLGNDEM-VIFPVBQESA-N 1 0 367.862 2.832 20 5 FFBDRO CC[NH+]1CCN(c2cc(N(C)C(=O)[C@H](C)C(C)C)cc([N+](=O)[O-])c2)CC1 ZINC001534796331 1069683249 /nfs/dbraw/zinc/68/32/49/1069683249.db2.gz VDDHCSBRFFZEHD-OAHLLOKOSA-N 1 0 362.474 2.992 20 5 FFBDRO O=C(CCN1CC[NH2+]C[C@H]1c1ccccc1)Nc1cc([N+](=O)[O-])ccc1F ZINC000842478668 1030755080 /nfs/dbraw/zinc/75/50/80/1030755080.db2.gz LQQUYDRLCKLAIV-SFHVURJKSA-N 1 0 372.400 2.709 20 5 FFBDRO CC[NH+](CC)CCNC(=O)c1ccc(Nc2ccc([N+](=O)[O-])nc2)cc1 ZINC001203575142 1030769317 /nfs/dbraw/zinc/76/93/17/1030769317.db2.gz YPGWCHVJPAMSFJ-UHFFFAOYSA-N 1 0 357.414 2.805 20 5 FFBDRO C[NH2+]C[C@H](C)c1noc(CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 ZINC000842575852 1030794208 /nfs/dbraw/zinc/79/42/08/1030794208.db2.gz GTPMKCGNEHUDMQ-VIFPVBQESA-N 1 0 373.335 2.974 20 5 FFBDRO CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000797521728 1031143168 /nfs/dbraw/zinc/14/31/68/1031143168.db2.gz ZJYAIJMAXIZIRP-ZFWWWQNUSA-N 1 0 365.430 2.950 20 5 FFBDRO C[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H](O)c1ccc(F)cc1 ZINC000843073443 1031172129 /nfs/dbraw/zinc/17/21/29/1031172129.db2.gz IDYPHUINLQAXOK-XIKOKIGWSA-N 1 0 361.373 2.774 20 5 FFBDRO C[C@H](O)[C@](C)(C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000843100982 1031182689 /nfs/dbraw/zinc/18/26/89/1031182689.db2.gz LEQVKOYUSZJGAG-YSSFQJQWSA-N 1 0 358.438 2.848 20 5 FFBDRO COC(=O)CC[N@@H+](Cc1c(C)ccc([N+](=O)[O-])c1C)C[C@H]1CCCO1 ZINC001204350284 1031248465 /nfs/dbraw/zinc/24/84/65/1031248465.db2.gz YVIKOYUWHHWBNR-OAHLLOKOSA-N 1 0 350.415 2.756 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)C[C@]2(O)CCc3ccccc32)c1 ZINC000843421483 1031395280 /nfs/dbraw/zinc/39/52/80/1031395280.db2.gz PYSLCHLRJPVUAG-HXUWFJFHSA-N 1 0 370.405 2.647 20 5 FFBDRO C[C@@H]1C[C@H]2CC[C@@H](C(=O)NCc3cc([N+](=O)[O-])ccc3Cl)C[N@@H+]2C1 ZINC001150828045 1031790384 /nfs/dbraw/zinc/79/03/84/1031790384.db2.gz WEGAMYCAMSUKQV-YRGRVCCFSA-N 1 0 351.834 2.985 20 5 FFBDRO C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC000829791252 1033339629 /nfs/dbraw/zinc/33/96/29/1033339629.db2.gz BAHIEIFTBBFEIE-AWEZNQCLSA-N 1 0 372.400 2.799 20 5 FFBDRO COC(=O)c1ccc(COC2CCN(c3cc[nH+]cc3)CC2)c([N+](=O)[O-])c1 ZINC001223413323 1033437577 /nfs/dbraw/zinc/43/75/77/1033437577.db2.gz KUAOBARNFOHXOO-UHFFFAOYSA-N 1 0 371.393 2.962 20 5 FFBDRO CC(C)(C)OC(=O)Nc1cccc(COC(=O)C[C@@H](O)C[N+](C)(C)C)c1 ZINC001223573443 1033501321 /nfs/dbraw/zinc/50/13/21/1033501321.db2.gz KIFSXOWXJNRHMK-MRXNPFEDSA-O 1 0 367.466 2.534 20 5 FFBDRO Cc1cc2cc3ccc(N(C)C)cc3nc2cc1NC(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001219207927 1033555573 /nfs/dbraw/zinc/55/55/73/1033555573.db2.gz OKLUJVDCYUWXMG-KRWDZBQOSA-N 1 0 365.481 2.767 20 5 FFBDRO COc1ccc(NC(=O)N[C@@H](CC[NH+](C)C)c2cccnc2)c([N+](=O)[O-])c1 ZINC001219572550 1033695672 /nfs/dbraw/zinc/69/56/72/1033695672.db2.gz SVHAUZCEBPESLH-HNNXBMFYSA-N 1 0 373.413 2.813 20 5 FFBDRO C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CC(NC(=O)OC(C)(C)C)C1 ZINC000831237287 1034003612 /nfs/dbraw/zinc/00/36/12/1034003612.db2.gz PEOBDHJTIVZPQI-BCLQGDPASA-N 1 0 365.430 2.616 20 5 FFBDRO Cc1c(C[N@@H+]2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000831563767 1034127559 /nfs/dbraw/zinc/12/75/59/1034127559.db2.gz POSWZBWKXZNVDG-KBPBESRZSA-N 1 0 371.359 2.746 20 5 FFBDRO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1Oc1ccc([N+](=O)[O-])cc1C(N)=O ZINC001226165516 1034553833 /nfs/dbraw/zinc/55/38/33/1034553833.db2.gz LLWMESBQOZWIPA-IFXJQAMLSA-N 1 0 369.421 2.983 20 5 FFBDRO CC(C)c1n[nH]c(C(=O)N2CCC(C)([NH+]3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000832234827 1034660555 /nfs/dbraw/zinc/66/05/55/1034660555.db2.gz ZWBQDDUUYJOEGK-UHFFFAOYSA-N 1 0 363.462 2.922 20 5 FFBDRO COC(=O)c1cc(Br)cc(OC)c1O[C@H](C)C[N+](C)(C)C ZINC001226841315 1034859036 /nfs/dbraw/zinc/85/90/36/1034859036.db2.gz OAMREUHQGNNRSR-SNVBAGLBSA-N 1 0 361.256 2.718 20 5 FFBDRO COCCC[NH+]1CCC(Oc2nc(C(F)(F)F)ccc2[N+](=O)[O-])CC1 ZINC001227246877 1034983800 /nfs/dbraw/zinc/98/38/00/1034983800.db2.gz NQTAMAWOWYNSQS-UHFFFAOYSA-N 1 0 363.336 2.888 20 5 FFBDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2Oc1cc(Br)cnc1[N+](=O)[O-] ZINC001229562321 1036746482 /nfs/dbraw/zinc/74/64/82/1036746482.db2.gz FNGDOTWLUIOQIO-IWIIMEHWSA-N 1 0 356.220 2.861 20 5 FFBDRO C[C@@H](C[N+](C)(C)C)Oc1ncnc2cc(I)ccc21 ZINC001233847998 1036787093 /nfs/dbraw/zinc/78/70/93/1036787093.db2.gz NUKORSWJYKHHHQ-JTQLQIEISA-N 1 0 372.230 2.708 20 5 FFBDRO COC(=O)c1cnc(O[C@H](CC[NH+](C)C)c2ccccc2)c([N+](=O)[O-])c1 ZINC001233861251 1036793304 /nfs/dbraw/zinc/79/33/04/1036793304.db2.gz GUXFHHBFYMJBMJ-MRXNPFEDSA-N 1 0 359.382 2.848 20 5 FFBDRO Cc1cc(O)c(O[C@H]2COCC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC001229754076 1036873762 /nfs/dbraw/zinc/87/37/62/1036873762.db2.gz MDGGIKZVBFXQPP-MRXNPFEDSA-N 1 0 358.394 2.889 20 5 FFBDRO C[N@@H+]1CCC[C@H](Oc2ccc(I)c([N+](=O)[O-])c2)C1 ZINC001229945644 1036992655 /nfs/dbraw/zinc/99/26/55/1036992655.db2.gz ALWQDMLMGWKMSV-JTQLQIEISA-N 1 0 362.167 2.672 20 5 FFBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(C(=O)CNC(=O)OC(C)(C)C)cc1 ZINC001234449020 1037040779 /nfs/dbraw/zinc/04/07/79/1037040779.db2.gz DYWKFRFANIQRED-CQSZACIVSA-O 1 0 351.467 2.868 20 5 FFBDRO CCOC(=O)CCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC001256087194 1038373730 /nfs/dbraw/zinc/37/37/30/1038373730.db2.gz RJUOMNHGNCRRQK-UHFFFAOYSA-N 1 0 365.430 2.505 20 5 FFBDRO COc1cc(N2CCC([NH+]3CC4(C3)CCCOC4)CC2)ccc1[N+](=O)[O-] ZINC001256093686 1038379973 /nfs/dbraw/zinc/37/99/73/1038379973.db2.gz NXUYKZWWRQBVNU-UHFFFAOYSA-N 1 0 361.442 2.685 20 5 FFBDRO COc1cc(N2CCC([N@@H+]3CCCC(=O)[C@@H](C)C3)CC2)ccc1[N+](=O)[O-] ZINC001256093973 1038380377 /nfs/dbraw/zinc/38/03/77/1038380377.db2.gz UEIKUNXIUWLNMU-AWEZNQCLSA-N 1 0 361.442 2.873 20 5 FFBDRO COc1cc(N2CCC([N@@H+]3CCC[C@@H](C(C)=O)C3)CC2)ccc1[N+](=O)[O-] ZINC001256101142 1038384676 /nfs/dbraw/zinc/38/46/76/1038384676.db2.gz ZGMIEJVEMNBOBP-OAHLLOKOSA-N 1 0 361.442 2.873 20 5 FFBDRO COCC[N@H+](C(C)C)C1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC001256099730 1038385332 /nfs/dbraw/zinc/38/53/32/1038385332.db2.gz VYEXHHSCCSKJEN-UHFFFAOYSA-N 1 0 351.447 2.929 20 5 FFBDRO C[C@@H]1C[NH+](CCc2nnc(-c3cc(F)c([N+](=O)[O-])cc3F)o2)C[C@@H](C)O1 ZINC001258138980 1039218542 /nfs/dbraw/zinc/21/85/42/1039218542.db2.gz PQGZBPOWGJOIMF-NXEZZACHSA-N 1 0 368.340 2.575 20 5 FFBDRO O=[N+]([O-])c1cc2c(cc1-c1nc3ccccc3n1[C@@H]1CC[NH2+]C1)OCO2 ZINC001247047102 1039587021 /nfs/dbraw/zinc/58/70/21/1039587021.db2.gz JXJLHVXRIZZTDJ-LLVKDONJSA-N 1 0 352.350 2.875 20 5 FFBDRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])c3ccccc23)C1 ZINC001210683263 1039668609 /nfs/dbraw/zinc/66/86/09/1039668609.db2.gz RDUHMZYHYAREAH-ZDUSSCGKSA-N 1 0 372.425 2.715 20 5 FFBDRO c1cnc2c(c1)ccc1ccc(-c3noc(C[C@@H]4C[C@H]5C[NH2+]C[C@H]5O4)n3)nc12 ZINC001247938124 1040063623 /nfs/dbraw/zinc/06/36/23/1040063623.db2.gz FTFHIOBTFLCXSI-YQQAZPJKSA-N 1 0 373.416 2.752 20 5 FFBDRO COc1ccc(-c2noc(C[C@H]([NH3+])Cc3ccc([N+](=O)[O-])cc3)n2)c(F)c1 ZINC001248216871 1040177977 /nfs/dbraw/zinc/17/79/77/1040177977.db2.gz QXAVBKIRPAQNKD-GFCCVEGCSA-N 1 0 372.356 2.905 20 5 FFBDRO CC[NH+](CC)C1CCN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CC1 ZINC001254136100 1040580286 /nfs/dbraw/zinc/58/02/86/1040580286.db2.gz JVFVOADDDRYSFU-UHFFFAOYSA-N 1 0 360.458 2.798 20 5 FFBDRO [NH3+][C@H](Cc1nc(-c2cccc3ccnn32)no1)c1ccccc1[N+](=O)[O-] ZINC001249343228 1040691967 /nfs/dbraw/zinc/69/19/67/1040691967.db2.gz YNTOMLQCEABVEH-CYBMUJFWSA-N 1 0 350.338 2.535 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@H]3COc4cnccc43)CC2)cc1 ZINC001254472828 1040740192 /nfs/dbraw/zinc/74/01/92/1040740192.db2.gz PYPWVLYOJQPOIV-AWEZNQCLSA-N 1 0 354.410 2.724 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([N@H+]3CCC(F)(F)[C@@H](CO)C3)CC2)cc1 ZINC001254475716 1040743755 /nfs/dbraw/zinc/74/37/55/1040743755.db2.gz ILGNJYMKOIUGGQ-CYBMUJFWSA-N 1 0 355.385 2.513 20 5 FFBDRO O=c1[nH]ccc2c1CC[N@@H+](C1CCN(c3ccc([N+](=O)[O-])cc3)CC1)C2 ZINC001254481124 1040748266 /nfs/dbraw/zinc/74/82/66/1040748266.db2.gz SXXZLDWMQFQSLY-UHFFFAOYSA-N 1 0 354.410 2.723 20 5 FFBDRO CCOC[C@H]1C[N@@H+]([C@@H](C)Cc2ccccc2[N+](=O)[O-])Cc2cnn(C)c21 ZINC001254560674 1040796351 /nfs/dbraw/zinc/79/63/51/1040796351.db2.gz HAQHAFPOKAPWLS-WMLDXEAASA-N 1 0 358.442 2.895 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCn2cc(C[NH+]3CCCC3)nc2C1 ZINC001254562524 1040799908 /nfs/dbraw/zinc/79/99/08/1040799908.db2.gz SKVCRQOERHWVKP-INIZCTEOSA-N 1 0 369.469 2.834 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCC(Oc2ncc(F)cn2)CC1 ZINC001254571301 1040807090 /nfs/dbraw/zinc/80/70/90/1040807090.db2.gz SABPSRLWVHOSTR-CYBMUJFWSA-N 1 0 360.389 2.998 20 5 FFBDRO CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254572324 1040809210 /nfs/dbraw/zinc/80/92/10/1040809210.db2.gz KZLSBKYPECGSIA-QMCVQRASSA-N 1 0 359.426 2.517 20 5 FFBDRO CCn1ncc2c1[C@@H](COC)C[N@@H+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254597624 1040827273 /nfs/dbraw/zinc/82/72/73/1040827273.db2.gz UIFBMOKVQPWTLT-AEFFLSMTSA-N 1 0 356.426 2.524 20 5 FFBDRO CC(C)(C)OC(=O)NC[C@H]1CC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254601374 1040832515 /nfs/dbraw/zinc/83/25/15/1040832515.db2.gz YZEYEOSWEWKRCV-CXAGYDPISA-N 1 0 361.442 2.909 20 5 FFBDRO O=C1CC2(CN1CC1CC1)CC[NH+]([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)CC2 ZINC001254605688 1040834713 /nfs/dbraw/zinc/83/47/13/1040834713.db2.gz CKCYMTAFRKOXRW-LJQANCHMSA-N 1 0 369.465 2.787 20 5 FFBDRO Cc1ccnc(O[C@@H]2CCC[N@@H+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)n1 ZINC001254610864 1040840302 /nfs/dbraw/zinc/84/03/02/1040840302.db2.gz MMJYSWPXUFCDSQ-QZTJIDSGSA-N 1 0 354.410 2.704 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(-c2nc3c(cccc3N3CC[NH+](C)CC3)[nH]2)c1 ZINC001250869346 1041411730 /nfs/dbraw/zinc/41/17/30/1041411730.db2.gz VSCAEKHDWDLUES-UHFFFAOYSA-N 1 0 367.409 2.899 20 5 FFBDRO COc1cccc([C@@H]2C[NH2+]CCN2C(=O)c2cc(F)ccc2[N+](=O)[O-])c1 ZINC001262042724 1041526069 /nfs/dbraw/zinc/52/60/69/1041526069.db2.gz VIJVIEPJQVHUOF-KRWDZBQOSA-N 1 0 359.357 2.529 20 5 FFBDRO CCc1ccc(-c2nc(-c3ccc4c(n3)CC[NH2+]C4)no2)cc1[N+](=O)[O-] ZINC001215405943 1041771931 /nfs/dbraw/zinc/77/19/31/1041771931.db2.gz HFFIJJSZNRYTET-UHFFFAOYSA-N 1 0 351.366 2.915 20 5 FFBDRO C[N@@H+]1C[C@@]23CN(c4ncnc5sc([N+](=O)[O-])cc54)C[C@]2(C1)CCCC3 ZINC001262716944 1041811808 /nfs/dbraw/zinc/81/18/08/1041811808.db2.gz WUZFOPKDUHZAFJ-CALCHBBNSA-N 1 0 359.455 2.912 20 5 FFBDRO O=C([C@@H]1C[NH2+]CCC12CCC2)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC001263088247 1042094787 /nfs/dbraw/zinc/09/47/87/1042094787.db2.gz DUZWCWRJYHWHSM-SFHVURJKSA-N 1 0 373.453 2.744 20 5 FFBDRO CCc1ccc(S(=O)(=O)N2CCC(C)(C)[NH2+]C(C)(C)C2)cc1[N+](=O)[O-] ZINC001309962122 1043612688 /nfs/dbraw/zinc/61/26/88/1043612688.db2.gz OESTWWLQONCLRM-UHFFFAOYSA-N 1 0 369.487 2.698 20 5 FFBDRO CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001313562181 1044381086 /nfs/dbraw/zinc/38/10/86/1044381086.db2.gz WDEYWMVEWDAIOM-AWEZNQCLSA-N 1 0 358.446 2.794 20 5 FFBDRO C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC001318956374 1044957357 /nfs/dbraw/zinc/95/73/57/1044957357.db2.gz JDLGZUZGAVCKOR-OLZOCXBDSA-N 1 0 370.247 2.960 20 5 FFBDRO C[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1c(Cl)oc2ccccc21 ZINC001316824015 1045032642 /nfs/dbraw/zinc/03/26/42/1045032642.db2.gz SJLTUCNSQMGYGI-TZMCWYRMSA-N 1 0 365.817 2.690 20 5 FFBDRO Cc1ccc(F)cc1C[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(C)C ZINC001317686426 1045119092 /nfs/dbraw/zinc/11/90/92/1045119092.db2.gz MLZFKVHYHMLDMX-IAGOWNOFSA-N 1 0 351.422 2.516 20 5 FFBDRO CCOc1cc(C(=O)N2CC[NH+](C(C)(C)C)CC2)c([N+](=O)[O-])cc1OC ZINC001319517625 1045179804 /nfs/dbraw/zinc/17/98/04/1045179804.db2.gz CNAQMSRPMFGESI-UHFFFAOYSA-N 1 0 365.430 2.558 20 5 FFBDRO Cc1ccccc1C[N@H+](C)CCC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001319876442 1045290744 /nfs/dbraw/zinc/29/07/44/1045290744.db2.gz MCRIIUUJSIUALV-RTBURBONSA-N 1 0 359.470 2.721 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+]1CCC(Nc2ccccc2)CC1 ZINC001320152525 1045357442 /nfs/dbraw/zinc/35/74/42/1045357442.db2.gz DIOQDCLVLFXYSS-SFHVURJKSA-N 1 0 371.437 2.911 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH+]2CCC(O)(Cc3ccccc3F)CC2)cc1 ZINC001321344661 1045633545 /nfs/dbraw/zinc/63/35/45/1045633545.db2.gz OHYCKLWGJMUPBF-LJQANCHMSA-N 1 0 374.412 2.837 20 5 FFBDRO C[N@@H+]1CC[C@]2(CCN(Cc3ccc([N+](=O)[O-])cc3Br)C2)C1 ZINC001324370983 1045993868 /nfs/dbraw/zinc/99/38/68/1045993868.db2.gz PTEIRRGHEXUIKZ-HNNXBMFYSA-N 1 0 354.248 2.885 20 5 FFBDRO [NH3+][C@@H](C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)C1CCCCC1 ZINC001326304928 1046863018 /nfs/dbraw/zinc/86/30/18/1046863018.db2.gz BMJVOGWJUWPHFV-GOSISDBHSA-N 1 0 361.442 2.872 20 5 FFBDRO C[C@@H](CC(=O)OC(C)(C)C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC001331710604 1048074475 /nfs/dbraw/zinc/07/44/75/1048074475.db2.gz BAAHIYRBTBHIBM-ZDUSSCGKSA-N 1 0 364.446 2.669 20 5 FFBDRO C[NH2+][C@H](C)CCNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC001332172875 1048280417 /nfs/dbraw/zinc/28/04/17/1048280417.db2.gz ARIRKCMYZJWCDV-CQSZACIVSA-N 1 0 356.426 2.935 20 5 FFBDRO COCC[N@@H+]1CCC[C@@H](Nc2ncnc3c(Cl)cc([N+](=O)[O-])cc23)C1 ZINC001328689377 1048421071 /nfs/dbraw/zinc/42/10/71/1048421071.db2.gz PYIDAZVQZKSJFK-LLVKDONJSA-N 1 0 365.821 2.714 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)c2ncnc(NCC[NH+]3CCSCC3)c2c1 ZINC001333699487 1049062572 /nfs/dbraw/zinc/06/25/72/1049062572.db2.gz JAWRENIKQVXFLR-UHFFFAOYSA-N 1 0 353.835 2.652 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCCCCC[NH+]2CCCC2)cc1F ZINC001475339566 1049153675 /nfs/dbraw/zinc/15/36/75/1049153675.db2.gz WIRUSKGMXZECTI-UHFFFAOYSA-N 1 0 373.450 2.587 20 5 FFBDRO O=C(c1c[nH]nc1[N+](=O)[O-])N1CCC(c2ccccc2)([NH+]2CCCC2)CC1 ZINC001333932412 1049174197 /nfs/dbraw/zinc/17/41/97/1049174197.db2.gz CHHORUFCIKVORC-UHFFFAOYSA-N 1 0 369.425 2.545 20 5 FFBDRO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001330517088 1049188279 /nfs/dbraw/zinc/18/82/79/1049188279.db2.gz ITDFTPFANUWLMT-YOEHRIQHSA-N 1 0 357.414 2.588 20 5 FFBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)C1(C(F)(F)F)CC[NH2+]CC1 ZINC001341538119 1050166680 /nfs/dbraw/zinc/16/66/80/1050166680.db2.gz FBNJVNWNOWCTNW-UHFFFAOYSA-N 1 0 373.375 2.966 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC001341813142 1050428039 /nfs/dbraw/zinc/42/80/39/1050428039.db2.gz UYARNPOCSIYLRA-RGYTYGDFSA-N 1 0 367.833 2.664 20 5 FFBDRO [NH3+]CC[C@H](NC(=O)CCc1ccc([N+](=O)[O-])cc1Cl)C(F)(F)F ZINC001340185206 1050590575 /nfs/dbraw/zinc/59/05/75/1050590575.db2.gz SOLNTEIFEFLBSC-NSHDSACASA-N 1 0 353.728 2.577 20 5 FFBDRO C[NH+](C)[C@H]1C[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C12CCC2 ZINC001301550237 1050919570 /nfs/dbraw/zinc/91/95/70/1050919570.db2.gz ZMKRKKTYUFWEER-GJZGRUSLSA-N 1 0 351.834 2.780 20 5 FFBDRO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC001301878151 1051008705 /nfs/dbraw/zinc/00/87/05/1051008705.db2.gz BMAFVEBQPORVRG-RHSMWYFYSA-N 1 0 368.437 2.817 20 5 FFBDRO O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001302184166 1051057570 /nfs/dbraw/zinc/05/75/70/1051057570.db2.gz SEHSSPVMMNOMTC-HNNXBMFYSA-N 1 0 364.405 2.733 20 5 FFBDRO [NH3+][C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C[C@H]1c1ccccc1 ZINC001340923706 1051251873 /nfs/dbraw/zinc/25/18/73/1051251873.db2.gz TXLLJHVYYTVUTD-AKHDSKFASA-N 1 0 351.406 2.652 20 5 FFBDRO C[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C[C@H]1CC[NH3+] ZINC001341031562 1051368985 /nfs/dbraw/zinc/36/89/85/1051368985.db2.gz JWNOXICYRZIVQM-RKDXNWHRSA-N 1 0 374.210 2.553 20 5 FFBDRO O=C(CCc1cc(F)ccc1[N+](=O)[O-])NC1CCN(c2cc[nH+]cc2)CC1 ZINC001341064236 1051405667 /nfs/dbraw/zinc/40/56/67/1051405667.db2.gz XDLWEAPSAAAGHN-UHFFFAOYSA-N 1 0 372.400 2.847 20 5 FFBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NC[C@@H]1CCC[NH2+]CC1 ZINC001342858840 1051467976 /nfs/dbraw/zinc/46/79/76/1051467976.db2.gz PEQDALKEZFQGKR-LLVKDONJSA-N 1 0 357.863 2.846 20 5 FFBDRO O=C(NCCC[NH2+]C1CC1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC001341166107 1051519731 /nfs/dbraw/zinc/51/97/31/1051519731.db2.gz MCHPHXWOQSOJCY-UHFFFAOYSA-N 1 0 371.387 2.831 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)n1 ZINC001542472721 1071238746 /nfs/dbraw/zinc/23/87/46/1071238746.db2.gz BACAUCNGQFKVGR-INIZCTEOSA-N 1 0 360.458 2.882 20 5 FFBDRO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC001343074092 1051690985 /nfs/dbraw/zinc/69/09/85/1051690985.db2.gz ZIWFTCGIKRPFKE-ZTFRIQLXSA-N 1 0 369.371 2.582 20 5 FFBDRO Cc1nnc(N(C)CCc2cccc([N+](=O)[O-])c2)n1CCC[N@@H+](C)C(C)C ZINC001304796657 1051703416 /nfs/dbraw/zinc/70/34/16/1051703416.db2.gz GONKUXNWSSCWMH-UHFFFAOYSA-N 1 0 374.489 2.904 20 5 FFBDRO C[C@@H]1C[NH2+][C@@H](C)[C@H](C)N1C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC001344845488 1052058106 /nfs/dbraw/zinc/05/81/06/1052058106.db2.gz BRDAWFRTFDLBLL-PMPSAXMXSA-N 1 0 363.461 2.752 20 5 FFBDRO Cc1cc(NC(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)cc([N+](=O)[O-])c1 ZINC001344875711 1052091390 /nfs/dbraw/zinc/09/13/90/1052091390.db2.gz NSNHYOOJPFAYSW-MRXNPFEDSA-N 1 0 362.430 2.622 20 5 FFBDRO C[C@@H](O)[C@H]1CCC[N@@H+]1Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001307938734 1052369696 /nfs/dbraw/zinc/36/96/96/1052369696.db2.gz KYUDEKJPRBYPOQ-BXKDBHETSA-N 1 0 352.778 2.643 20 5 FFBDRO CC(C)(C)OC(=O)N[C@H]1CCCCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC001307994211 1052378782 /nfs/dbraw/zinc/37/87/82/1052378782.db2.gz ZWHBFEUWFWYEFJ-AWEZNQCLSA-N 1 0 367.450 2.561 20 5 FFBDRO Cc1c(NC(=O)N2CC[N@@H+]3CC[C@H]2C3)cc(Br)cc1[N+](=O)[O-] ZINC001347726594 1054261327 /nfs/dbraw/zinc/26/13/27/1054261327.db2.gz ADMPTUDEZWTJLO-NSHDSACASA-N 1 0 369.219 2.588 20 5 FFBDRO C[N@@H+]1C[C@@]23CN(c4nc5ccc([N+](=O)[O-])cc5c(=O)[nH]4)C[C@]2(C1)CCCC3 ZINC001337353414 1054681231 /nfs/dbraw/zinc/68/12/31/1054681231.db2.gz PEKMBFHYMYOAKC-KDURUIRLSA-N 1 0 369.425 2.556 20 5 FFBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1C[NH+]2CCC1CC2 ZINC001337358823 1054685062 /nfs/dbraw/zinc/68/50/62/1054685062.db2.gz VLXXVLJABVIYRY-GFCCVEGCSA-N 1 0 355.847 2.551 20 5 FFBDRO O=C(c1cc(N[C@H]2CC[N@@H+]3CCCC[C@H]23)ccc1[N+](=O)[O-])N1CCCC1 ZINC001337735673 1054979176 /nfs/dbraw/zinc/97/91/76/1054979176.db2.gz XLQNDDPGLYQQBM-FUHWJXTLSA-N 1 0 358.442 2.870 20 5 FFBDRO CC[NH+](CC)CC[C@H](NC(=O)Cn1c(C)ncc1[N+](=O)[O-])c1ccccc1 ZINC001337878533 1055078922 /nfs/dbraw/zinc/07/89/22/1055078922.db2.gz UJAWYIJDNQRZGQ-KRWDZBQOSA-N 1 0 373.457 2.689 20 5 FFBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC1 ZINC000847183681 1055196345 /nfs/dbraw/zinc/19/63/45/1055196345.db2.gz UODZWIRCKQZTAI-WOVMCDHWSA-N 1 0 374.485 2.901 20 5 FFBDRO Cc1c(-c2nnc(N3CC[NH+](C4CCCC4)CC3)n2C)cccc1[N+](=O)[O-] ZINC001338796873 1055824213 /nfs/dbraw/zinc/82/42/13/1055824213.db2.gz HKJPLBZHKRJDSF-UHFFFAOYSA-N 1 0 370.457 2.763 20 5 FFBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1ccccc1N1CC[NH+](C)CC1 ZINC001339002101 1056005443 /nfs/dbraw/zinc/00/54/43/1056005443.db2.gz BNKXWVWKJKMBHV-UHFFFAOYSA-N 1 0 368.437 2.619 20 5 FFBDRO [NH3+]CC[C@@H]1Cc2ccccc2N(C(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC001358343606 1056265417 /nfs/dbraw/zinc/26/54/17/1056265417.db2.gz YVNYRZCQYAOGJN-OAHLLOKOSA-N 1 0 369.421 2.918 20 5 FFBDRO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CCc3c(Cl)cccc3[N+](=O)[O-])[C@H]2C1 ZINC001339317276 1056323785 /nfs/dbraw/zinc/32/37/85/1056323785.db2.gz MFLUBWLKUGMFDL-WHOFXGATSA-N 1 0 351.834 2.637 20 5 FFBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC001353644419 1056607028 /nfs/dbraw/zinc/60/70/28/1056607028.db2.gz BKQBBOIUXHPUSI-MRXNPFEDSA-N 1 0 357.435 2.934 20 5 FFBDRO C[NH+](C)C[C@@H]1CCCN1C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001443214478 1058188511 /nfs/dbraw/zinc/18/85/11/1058188511.db2.gz ISFCKZQWOSSYFB-HNNXBMFYSA-N 1 0 354.410 2.823 20 5 FFBDRO C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])c2ccccc12)[C@@H]1C[N@H+](C)CCN1C ZINC001517886783 1058189925 /nfs/dbraw/zinc/18/99/25/1058189925.db2.gz BEPPJRRCCDGVEF-UGSOOPFHSA-N 1 0 371.441 2.504 20 5 FFBDRO O=[N+]([O-])c1cccc2c(N3CCC([NH2+]C4CCOCC4)CC3)ccnc21 ZINC001354485577 1059058894 /nfs/dbraw/zinc/05/88/94/1059058894.db2.gz OOJPALHJFLWSLZ-UHFFFAOYSA-N 1 0 356.426 2.880 20 5 FFBDRO COc1ccc(CC(=O)N2CCC3(CCC[C@H]3C[NH3+])CC2)cc1[N+](=O)[O-] ZINC001515432108 1059655828 /nfs/dbraw/zinc/65/58/28/1059655828.db2.gz IKBIREMWCDYDPV-HNNXBMFYSA-N 1 0 361.442 2.514 20 5 FFBDRO Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)Cc3ccc(F)cc3[N+](=O)[O-])C2)cc1 ZINC001455009347 1059669042 /nfs/dbraw/zinc/66/90/42/1059669042.db2.gz MOHLCEAJHNMULN-GOSISDBHSA-N 1 0 371.412 2.976 20 5 FFBDRO CC[NH+](CC)CC[C@H](NC(=O)c1nn(C)cc1[N+](=O)[O-])c1ccccc1 ZINC001355202252 1059987171 /nfs/dbraw/zinc/98/71/71/1059987171.db2.gz ICNHOYABAAJGQR-HNNXBMFYSA-N 1 0 359.430 2.531 20 5 FFBDRO [NH3+]C[C@@]12CC[C@@H]1CCCN2C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC001355338005 1060146732 /nfs/dbraw/zinc/14/67/32/1060146732.db2.gz CNBXJQJLURNULH-ZBEGNZNMSA-N 1 0 355.797 2.660 20 5 FFBDRO CC[NH+](CC)CC[C@H](C)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC001521007922 1060300760 /nfs/dbraw/zinc/30/07/60/1060300760.db2.gz RMWCLGJHHGPQNI-ZDUSSCGKSA-N 1 0 365.430 2.606 20 5 FFBDRO O=C(N1CC[C@@H](C[NH+]2CCCC2)C1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848583812 1060312614 /nfs/dbraw/zinc/31/26/14/1060312614.db2.gz HCDQETHECOYDCB-ZDUSSCGKSA-N 1 0 369.368 2.511 20 5 FFBDRO CCC(C)(C)[NH+]1CCN(c2nnc([C@@H](C)[N+](=O)[O-])n2CC(C)C)CC1 ZINC001517390503 1060479824 /nfs/dbraw/zinc/47/98/24/1060479824.db2.gz WADANHVKXDTWPK-CQSZACIVSA-N 1 0 352.483 2.582 20 5 FFBDRO CC[N@H+](CCn1c(C)nnc1N(C)CCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001547578815 1071973390 /nfs/dbraw/zinc/97/33/90/1071973390.db2.gz GUXPORLERGJCDA-UHFFFAOYSA-N 1 0 372.473 2.658 20 5 FFBDRO O=C(COC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000848774736 1060661548 /nfs/dbraw/zinc/66/15/48/1060661548.db2.gz QZCPCYPKWWXMEY-QGZVFWFLSA-N 1 0 368.389 2.843 20 5 FFBDRO CC[C@H](c1ccccc1)[NH+]1CCN(CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC001459578069 1060775562 /nfs/dbraw/zinc/77/55/62/1060775562.db2.gz KNJMEBZZQNIZFL-GOSISDBHSA-N 1 0 357.458 2.869 20 5 FFBDRO COc1ccc(C[C@H]2CC[N@@H+]2C[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC001459656051 1060788117 /nfs/dbraw/zinc/78/81/17/1060788117.db2.gz OTECNLBVYGBCKH-IAGOWNOFSA-N 1 0 372.421 2.660 20 5 FFBDRO O=[N+]([O-])c1cccc2ncnc(NCC3([NH+]4CCCCC4)CCOCC3)c21 ZINC000542506427 1060968705 /nfs/dbraw/zinc/96/87/05/1060968705.db2.gz CUTYHECSDZTFAM-UHFFFAOYSA-N 1 0 371.441 2.985 20 5 FFBDRO [NH3+][C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C[C@H]1c1cccc(F)c1 ZINC001521705981 1061086971 /nfs/dbraw/zinc/08/69/71/1061086971.db2.gz JADYASSVJFYNHS-AKHDSKFASA-N 1 0 369.396 2.791 20 5 FFBDRO CCOC(=O)C1CCC(O)(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001460754421 1061090113 /nfs/dbraw/zinc/09/01/13/1061090113.db2.gz NCOZRDYUTMPPTH-MJJDPTRDSA-N 1 0 350.415 2.730 20 5 FFBDRO C[C@H]1C[NH+](CCCCNc2ncnc3cccc([N+](=O)[O-])c32)C[C@H](C)O1 ZINC000544394227 1061125304 /nfs/dbraw/zinc/12/53/04/1061125304.db2.gz PKCNOEMMXMFUDX-KBPBESRZSA-N 1 0 359.430 2.839 20 5 FFBDRO COc1ccc(C[NH2+]Cc2ccc(-n3cncn3)c(C)c2)cc1[N+](=O)[O-] ZINC001461175482 1061238626 /nfs/dbraw/zinc/23/86/26/1061238626.db2.gz RJEUVNHKMHLOKG-UHFFFAOYSA-N 1 0 353.382 2.782 20 5 FFBDRO Cc1cc(S(=O)(=O)NC2CCC(C)([NH+]3CCC3)CC2)ccc1[N+](=O)[O-] ZINC001475750626 1061252769 /nfs/dbraw/zinc/25/27/69/1061252769.db2.gz LRLJPRICPVBMOF-UHFFFAOYSA-N 1 0 367.471 2.589 20 5 FFBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2cccc(Cl)c2Br)c1 ZINC001461313877 1061285743 /nfs/dbraw/zinc/28/57/43/1061285743.db2.gz OORMAOAYAPGHGZ-UHFFFAOYSA-N 1 0 359.611 2.997 20 5 FFBDRO COCC[C@H](C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)NC(=O)OC(C)(C)C ZINC001461699582 1061385134 /nfs/dbraw/zinc/38/51/34/1061385134.db2.gz XSCFIDUSKQSSIH-OAHLLOKOSA-N 1 0 367.446 2.923 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC001462123352 1061509378 /nfs/dbraw/zinc/50/93/78/1061509378.db2.gz OFZXLWWROVHHNW-YOEHRIQHSA-N 1 0 368.437 2.796 20 5 FFBDRO Cc1c([N+](=O)[O-])cc(C(=O)NC2CCC(C)([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC001462276743 1061566573 /nfs/dbraw/zinc/56/65/73/1061566573.db2.gz BEBHOWZWHYZLRW-UHFFFAOYSA-N 1 0 364.402 2.804 20 5 FFBDRO CC[C@](O)(CCC(F)(F)F)C[NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC001462616201 1061694054 /nfs/dbraw/zinc/69/40/54/1061694054.db2.gz DIARIHJDMSFBBB-AWEZNQCLSA-N 1 0 366.336 2.882 20 5 FFBDRO Cn1ccc(C[N@H+](C)CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC001462655029 1061707856 /nfs/dbraw/zinc/70/78/56/1061707856.db2.gz PTQLNCQSOOMVBK-UHFFFAOYSA-N 1 0 371.485 2.715 20 5 FFBDRO COc1cc(C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)c([N+](=O)[O-])cc1F ZINC001360654156 1062005627 /nfs/dbraw/zinc/00/56/27/1062005627.db2.gz FPPZEDUGCKKTSW-UHFFFAOYSA-N 1 0 357.301 2.576 20 5 FFBDRO CC[NH+](CC)[C@H](CNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)CC(C)C ZINC001463305069 1062043938 /nfs/dbraw/zinc/04/39/38/1062043938.db2.gz BLSJXGLSNAKLGZ-HNNXBMFYSA-N 1 0 371.503 2.938 20 5 FFBDRO CC[NH+](CC)[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1)CC(C)C ZINC001463308989 1062046693 /nfs/dbraw/zinc/04/66/93/1062046693.db2.gz OZHQNMZFXXZJCT-HNNXBMFYSA-N 1 0 371.503 2.938 20 5 FFBDRO Cc1nnc(N(C)Cc2ccccc2[N+](=O)[O-])n1CC[N@H+]1CCC[C@@H]1C ZINC001492781761 1062207463 /nfs/dbraw/zinc/20/74/63/1062207463.db2.gz KGLHCNLZMAFDOC-AWEZNQCLSA-N 1 0 358.446 2.615 20 5 FFBDRO CC[NH+](CC)CC[C@H](C)NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC001522840779 1062306439 /nfs/dbraw/zinc/30/64/39/1062306439.db2.gz UPCSICZDANWXCG-AWEZNQCLSA-N 1 0 359.430 2.631 20 5 FFBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CC[C@H](C[NH3+])[C@@H](C)C2)CC1 ZINC001523028714 1062362889 /nfs/dbraw/zinc/36/28/89/1062362889.db2.gz QAQOFMKSADQKBV-JKSUJKDBSA-N 1 0 374.485 2.888 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N3CC[C@@H](C[NH3+])[C@@H](C)C3)cc2[N+](=O)[O-])CC1 ZINC001523031453 1062365873 /nfs/dbraw/zinc/36/58/73/1062365873.db2.gz XYQSLUSXSQEZMJ-RDJZCZTQSA-N 1 0 374.485 2.888 20 5 FFBDRO CCC[N@H+](C)CC(C)(C)NS(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC001464142553 1062447601 /nfs/dbraw/zinc/44/76/01/1062447601.db2.gz BBQWMIPDYHZMND-UHFFFAOYSA-N 1 0 357.476 2.610 20 5 FFBDRO C[C@@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC001437872592 1062922473 /nfs/dbraw/zinc/92/24/73/1062922473.db2.gz NXLIDCOWUQOUFO-CVEARBPZSA-N 1 0 362.474 2.752 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC001532859708 1063195339 /nfs/dbraw/zinc/19/53/39/1063195339.db2.gz NOCBFWSMGPPQRB-KRWDZBQOSA-N 1 0 368.437 2.892 20 5 FFBDRO COc1ccc(CC(=O)N2[C@H](C)CCC[C@@H]2CC[NH+](C)C)cc1[N+](=O)[O-] ZINC001533416199 1063294546 /nfs/dbraw/zinc/29/45/46/1063294546.db2.gz AXOZKACLHXNZAE-GDBMZVCRSA-N 1 0 363.458 2.867 20 5 FFBDRO CCOc1cc(NC(=O)N2CC[NH+]([C@@H](C)CC)CC2)ccc1[N+](=O)[O-] ZINC001467002989 1063614424 /nfs/dbraw/zinc/61/44/24/1063614424.db2.gz ZTGUXIOXZZKIJK-ZDUSSCGKSA-N 1 0 350.419 2.942 20 5 FFBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)N[C@]3(C)CC3(C)C)c2)CC1 ZINC001467372995 1063726703 /nfs/dbraw/zinc/72/67/03/1063726703.db2.gz XPUORHGQJGCHLE-GOSISDBHSA-N 1 0 361.446 2.657 20 5 FFBDRO CC(C)(C(=O)NCC[C@H]([NH3+])Cc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC001575092439 1078105386 /nfs/dbraw/zinc/10/53/86/1078105386.db2.gz LYSTWROIZBOFQY-INIZCTEOSA-N 1 0 355.438 2.949 20 5 FFBDRO CC(C)(NC(=O)c1cccc2c1OCC[NH2+]C2)c1ccccc1[N+](=O)[O-] ZINC001575380573 1078134928 /nfs/dbraw/zinc/13/49/28/1078134928.db2.gz PAPBOIRSCOKUKD-UHFFFAOYSA-N 1 0 355.394 2.742 20 5 FFBDRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001575511289 1078148180 /nfs/dbraw/zinc/14/81/80/1078148180.db2.gz PXLXBWXHLOGPPI-INIZCTEOSA-N 1 0 354.410 2.727 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N(C)CC[NH+]1CCCCC1 ZINC001472813246 1065150437 /nfs/dbraw/zinc/15/04/37/1065150437.db2.gz PIVZLKXPWHOLEA-UHFFFAOYSA-N 1 0 355.822 2.957 20 5 FFBDRO COc1cccc(C[C@H]2CN(c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC[NH2+]2)c1 ZINC001472906264 1065172634 /nfs/dbraw/zinc/17/26/34/1065172634.db2.gz DPRHWRVPRTWVQP-AWEZNQCLSA-N 1 0 372.381 2.533 20 5 FFBDRO C[C@@]([NH3+])(C(=O)N[C@H]1CCOc2c(F)cccc21)c1cccc([N+](=O)[O-])c1 ZINC001576081691 1078194112 /nfs/dbraw/zinc/19/41/12/1078194112.db2.gz OFSAIDRJSHNCRC-YJBOKZPZSA-N 1 0 359.357 2.548 20 5 FFBDRO COc1cc(C[NH2+][C@](C)(CO)Cc2ccc(F)cc2)c([N+](=O)[O-])cc1F ZINC001473840325 1065385711 /nfs/dbraw/zinc/38/57/11/1065385711.db2.gz VRRATMJKJIHGTO-SFHVURJKSA-N 1 0 366.364 2.965 20 5 FFBDRO CC(C)[C@@H]([NH3+])Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](C)C1 ZINC001576739390 1078268940 /nfs/dbraw/zinc/26/89/40/1078268940.db2.gz ZQEGGHRPBCGPEC-BBRMVZONSA-N 1 0 358.446 2.683 20 5 FFBDRO CC[C@H]([NH3+])Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H]2CCC[C@@H]21 ZINC001577129359 1078307380 /nfs/dbraw/zinc/30/73/80/1078307380.db2.gz WFJHMOFKAPNNBI-YCPHGPKFSA-N 1 0 356.430 2.579 20 5 FFBDRO C[NH2+]C[C@@H](C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H]1C ZINC001578629510 1078505833 /nfs/dbraw/zinc/50/58/33/1078505833.db2.gz NOCWIDYHCBUSLP-KGLIPLIRSA-N 1 0 358.446 2.698 20 5 FFBDRO [NH3+][C@H]1C[C@@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C12CCC2 ZINC001580163084 1078758863 /nfs/dbraw/zinc/75/88/63/1078758863.db2.gz KDEYETUCTRGWTK-NWDGAFQWSA-N 1 0 356.329 2.588 20 5 FFBDRO [NH3+][C@H]1CCO[C@H](C2CCN(c3ccc([N+](=O)[O-])c4cnccc43)CC2)C1 ZINC001580200981 1078765139 /nfs/dbraw/zinc/76/51/39/1078765139.db2.gz VZUYWRSAELGHJO-LIRRHRJNSA-N 1 0 356.426 2.866 20 5 FFBDRO [NH3+]C[C@]12CN(C(=O)C3(c4ccc([N+](=O)[O-])cc4)CCC3)C[C@H]1CCCC2 ZINC001580253843 1078775963 /nfs/dbraw/zinc/77/59/63/1078775963.db2.gz TVVIJJFKTIZLFQ-VQIMIIECSA-N 1 0 357.454 2.994 20 5 FFBDRO [NH3+]CC[C@H]1Cc2ccccc2N(C(=O)Cc2cccc(F)c2[N+](=O)[O-])C1 ZINC001580288861 1078781725 /nfs/dbraw/zinc/78/17/25/1078781725.db2.gz CEENAJGQAIHNBL-ZDUSSCGKSA-N 1 0 357.385 2.831 20 5 FFBDRO O=C(Nc1ccc([N+](=O)[O-])c2ncccc12)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC001580770282 1078857659 /nfs/dbraw/zinc/85/76/59/1078857659.db2.gz KEWKCFDFJWXEAS-AWEZNQCLSA-N 1 0 354.288 2.624 20 5 FFBDRO CC[NH+](CC)[C@H](CNc1nccc(C(=O)OC)c1[N+](=O)[O-])CC(C)C ZINC001559062475 1076121981 /nfs/dbraw/zinc/12/19/81/1076121981.db2.gz YWFKQENEQNHSMC-ZDUSSCGKSA-N 1 0 352.435 2.945 20 5 FFBDRO CS[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2Br)C[C@H]1[NH+](C)C ZINC001559719300 1076185797 /nfs/dbraw/zinc/18/57/97/1076185797.db2.gz BAHKTAARCHZBIR-ZIAGYGMSSA-N 1 0 374.304 2.835 20 5 FFBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H](O)COc1ccc2cc[nH]c2c1 ZINC001559831626 1076194801 /nfs/dbraw/zinc/19/48/01/1076194801.db2.gz YVNWWWCICYKTHF-QGZVFWFLSA-N 1 0 369.421 2.990 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@H]1c1ncccn1 ZINC001560014323 1076213097 /nfs/dbraw/zinc/21/30/97/1076213097.db2.gz PIJKDYVFKUHQJK-HNNXBMFYSA-N 1 0 371.397 2.559 20 5 FFBDRO CC[N@@H+]1CCN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC001562575488 1076504687 /nfs/dbraw/zinc/50/46/87/1076504687.db2.gz PWPQJFHCQYAUOV-SNVBAGLBSA-N 1 0 371.235 2.915 20 5 FFBDRO O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)NC1CC[NH+](C2CCC2)CC1 ZINC001569147635 1077132277 /nfs/dbraw/zinc/13/22/77/1077132277.db2.gz GDEAUHODJSBGQK-UHFFFAOYSA-N 1 0 351.834 2.924 20 5 FFBDRO CC/C=C/CC[N@@H+]1CCc2c(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cccc2C1 ZINC001570078409 1077181532 /nfs/dbraw/zinc/18/15/32/1077181532.db2.gz WPGVKAJJTMOKKB-DUFJLWIISA-N 1 0 357.454 2.682 20 5 FFBDRO O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)NCc1ccc2c[nH+]cn2c1 ZINC001570187596 1077188503 /nfs/dbraw/zinc/18/85/03/1077188503.db2.gz FAYOYKNDMGSSDF-UHFFFAOYSA-N 1 0 352.350 2.522 20 5 FFBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001586883319 1079700385 /nfs/dbraw/zinc/70/03/85/1079700385.db2.gz KKXQPMVRKCDMKR-OAHLLOKOSA-N 1 0 357.385 2.699 20 5 FFBDRO C[C@@H](Nc1cc(-c2nn[nH]n2)sc1[N+](=O)[O-])[C@H](c1ccccc1)[NH+](C)C ZINC001589980978 1080920169 /nfs/dbraw/zinc/92/01/69/1080920169.db2.gz RUPHYPNWYXIRTA-QMTHXVAHSA-N 1 0 373.442 2.940 20 5 FFBDRO O=C(C[N@H+](C[C@H]1CCOC1)C1CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000047405727 205146538 /nfs/dbraw/zinc/14/65/38/205146538.db2.gz HMHSDOPRKSPVJR-LLVKDONJSA-N 1 0 353.806 2.688 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000119819190 250514259 /nfs/dbraw/zinc/51/42/59/250514259.db2.gz NHBYAYVNUAQHKX-HNNXBMFYSA-N 1 0 365.430 2.868 20 5 FFBDRO O=C(C[C@H]1CN(Cc2ccccc2)CCO1)NCc1ccccc1[N+](=O)[O-] ZINC000175502162 251218203 /nfs/dbraw/zinc/21/82/03/251218203.db2.gz NXJGINHBWDIWOO-SFHVURJKSA-N 1 0 369.421 2.502 20 5 FFBDRO C[C@@H]1C[C@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000181188278 251255196 /nfs/dbraw/zinc/25/51/96/251255196.db2.gz QOTVUNXNUTWXRY-HIFRSBDPSA-N 1 0 354.410 2.570 20 5 FFBDRO Cc1c(NC(=O)CCN2CC[C@@H]([NH+]3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000264600397 251319617 /nfs/dbraw/zinc/31/96/17/251319617.db2.gz NHEDBRDFNRDQCV-MRXNPFEDSA-N 1 0 360.458 2.792 20 5 FFBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCS(=O)(=O)c1ccccc1)C1CC1 ZINC000268823921 251395609 /nfs/dbraw/zinc/39/56/09/251395609.db2.gz SQKVZLDCYDDCTM-GOSISDBHSA-N 1 0 374.462 2.979 20 5 FFBDRO C[NH+]1CCC([C@H]2CCN(c3ncc(Br)cc3[N+](=O)[O-])C2)CC1 ZINC000270041621 251451136 /nfs/dbraw/zinc/45/11/36/251451136.db2.gz AAMNHJYFTIUNQE-LBPRGKRZSA-N 1 0 369.263 2.920 20 5 FFBDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000272335430 252013113 /nfs/dbraw/zinc/01/31/13/252013113.db2.gz WEAIQOCTZNUEQJ-GHMZBOCLSA-N 1 0 374.363 2.611 20 5 FFBDRO Cn1ccnc1[C@H](NCC[NH+]1CCCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000272470375 252045752 /nfs/dbraw/zinc/04/57/52/252045752.db2.gz AFESKWRXVKNHHV-GOSISDBHSA-N 1 0 357.458 2.883 20 5 FFBDRO C[C@@H]1C[C@@H](N[C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C[N@@H+]1C1CC1 ZINC000272568320 252068825 /nfs/dbraw/zinc/06/88/25/252068825.db2.gz VJARECJRWDPNJW-DDUZABMNSA-N 1 0 355.442 2.633 20 5 FFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](CO)C[C@H](O)c2ccccc2)c(Cl)c1 ZINC000273035922 252196222 /nfs/dbraw/zinc/19/62/22/252196222.db2.gz HJSBEQZXTPHNFF-YOEHRIQHSA-N 1 0 350.802 2.822 20 5 FFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CO)C[C@@H](O)c2ccccc2)c(Cl)c1 ZINC000273035918 252197038 /nfs/dbraw/zinc/19/70/38/252197038.db2.gz HJSBEQZXTPHNFF-RHSMWYFYSA-N 1 0 350.802 2.822 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000275547180 256022709 /nfs/dbraw/zinc/02/27/09/256022709.db2.gz BIMQELCCQIGCBO-LBPRGKRZSA-N 1 0 350.419 2.797 20 5 FFBDRO C[NH+](C)C1(CNC(=O)c2ccc([N+](=O)[O-])cc2Br)CCC1 ZINC000275985471 256064147 /nfs/dbraw/zinc/06/41/47/256064147.db2.gz NAWXLTOTROYIAV-UHFFFAOYSA-N 1 0 356.220 2.571 20 5 FFBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C1 ZINC000277074535 256158613 /nfs/dbraw/zinc/15/86/13/256158613.db2.gz TTYVTEFDPBGFLY-CRAIPNDOSA-N 1 0 372.469 2.751 20 5 FFBDRO COc1cc(C[NH2+][C@@H]2CCOC[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000277439637 256198158 /nfs/dbraw/zinc/19/81/58/256198158.db2.gz LFKFATZANBVBPV-CMPLNLGQSA-N 1 0 360.357 2.762 20 5 FFBDRO COc1cc(C[NH2+][C@H]2CCOC[C@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000277439641 256198189 /nfs/dbraw/zinc/19/81/89/256198189.db2.gz LFKFATZANBVBPV-PWSUYJOCSA-N 1 0 360.357 2.762 20 5 FFBDRO O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC000278453527 256314748 /nfs/dbraw/zinc/31/47/48/256314748.db2.gz RVWCAAYARSSKLI-UHFFFAOYSA-N 1 0 374.363 2.557 20 5 FFBDRO O=C(NCC1CC[NH+](C2CC2)CC1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000278496367 256318890 /nfs/dbraw/zinc/31/88/90/256318890.db2.gz HJFMXNDSZYTWCQ-UHFFFAOYSA-N 1 0 358.442 2.773 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000278684744 256338054 /nfs/dbraw/zinc/33/80/54/256338054.db2.gz PJPBBTUTNPGHMX-UHFFFAOYSA-N 1 0 374.485 2.534 20 5 FFBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000279313139 256404670 /nfs/dbraw/zinc/40/46/70/256404670.db2.gz OPCMKOMCYNLNJT-LKFCYVNXSA-N 1 0 355.797 2.529 20 5 FFBDRO CN(CCC[NH+]1CCCC1)C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000281712501 256656965 /nfs/dbraw/zinc/65/69/65/256656965.db2.gz MVKPDAROHPSWDX-UHFFFAOYSA-N 1 0 357.357 2.754 20 5 FFBDRO CCS[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000286030639 257016936 /nfs/dbraw/zinc/01/69/36/257016936.db2.gz HWHDMHGNJTXDCE-MEBBXXQBSA-N 1 0 367.427 2.526 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCSCC[C@H]1C ZINC000286124282 257021376 /nfs/dbraw/zinc/02/13/76/257021376.db2.gz MJPTYWXFMSPGIZ-GFCCVEGCSA-N 1 0 353.444 2.759 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCCC[C@@H]1C[C@H](C)O ZINC000286210674 257025688 /nfs/dbraw/zinc/02/56/88/257025688.db2.gz YHLMSFCRRCQTDN-UONOGXRCSA-N 1 0 365.430 2.557 20 5 FFBDRO CC[C@@H](C(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1)[NH+](C)C ZINC000286297724 257030138 /nfs/dbraw/zinc/03/01/38/257030138.db2.gz PSMSHRUHFLDBGX-ZDUSSCGKSA-N 1 0 370.247 2.582 20 5 FFBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000287044083 257068756 /nfs/dbraw/zinc/06/87/56/257068756.db2.gz SYZKQAQIGPFBLG-XJKSGUPXSA-N 1 0 357.414 2.703 20 5 FFBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1c1ncc([N+](=O)[O-])cc1Br ZINC000286419277 257036057 /nfs/dbraw/zinc/03/60/57/257036057.db2.gz MVESQZROUUMZBE-GXFFZTMASA-N 1 0 355.236 2.815 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccncc1OCCC[NH+](C)C ZINC000288713298 257220313 /nfs/dbraw/zinc/22/03/13/257220313.db2.gz LCJDCSKWVAXHHK-UHFFFAOYSA-N 1 0 372.425 2.559 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000289346543 257275794 /nfs/dbraw/zinc/27/57/94/257275794.db2.gz MNSBGCTWCYPPMI-SJORKVTESA-N 1 0 357.410 2.609 20 5 FFBDRO CN(C)CC[N@H+](C)CCCN(C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000289655647 257292241 /nfs/dbraw/zinc/29/22/41/257292241.db2.gz FDRPZKQRSOCBRE-UHFFFAOYSA-N 1 0 371.869 2.595 20 5 FFBDRO CC[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC(C)(C)C1 ZINC000289762614 257297732 /nfs/dbraw/zinc/29/77/32/257297732.db2.gz KUBBZEIRHSFSAO-OAHLLOKOSA-N 1 0 370.471 2.648 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C)[C@H](C)C1 ZINC000290044473 257312725 /nfs/dbraw/zinc/31/27/25/257312725.db2.gz ZYIJXYFLNIGFKA-CZUORRHYSA-N 1 0 358.446 2.557 20 5 FFBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000290063368 257313507 /nfs/dbraw/zinc/31/35/07/257313507.db2.gz XWJPXICSTITISX-IAQYHMDHSA-N 1 0 363.805 2.719 20 5 FFBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000290283449 257323790 /nfs/dbraw/zinc/32/37/90/257323790.db2.gz ZVGQDMBXWMMQMB-INIZCTEOSA-N 1 0 360.458 2.635 20 5 FFBDRO COc1cc(CN2CC[C@@H](n3cc(Cl)cn3)C2)c([N+](=O)[O-])cc1OC ZINC000290839989 257360393 /nfs/dbraw/zinc/36/03/93/257360393.db2.gz IEQNFYQCLJZDQU-CYBMUJFWSA-N 1 0 366.805 2.909 20 5 FFBDRO CC(C)(CCC(=O)NCC1CC[NH+](Cc2cccs2)CC1)[N+](=O)[O-] ZINC000294606350 257595110 /nfs/dbraw/zinc/59/51/10/257595110.db2.gz DFTBTEUKJZYUIM-UHFFFAOYSA-N 1 0 353.488 2.912 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H](c2ccc(F)cc2)[C@H]([NH3+])C1 ZINC000297183728 257798283 /nfs/dbraw/zinc/79/82/83/257798283.db2.gz LJVLFFQAUZIUTP-QZTJIDSGSA-N 1 0 357.385 2.999 20 5 FFBDRO CC[C@@H]1CN(c2ccc(Br)cc2[N+](=O)[O-])CC[N@@H+]1C[C@H](C)O ZINC000301237682 258036572 /nfs/dbraw/zinc/03/65/72/258036572.db2.gz IKYJOVDTVOXMDE-WCQYABFASA-N 1 0 372.263 2.639 20 5 FFBDRO COc1ccc(NC(=O)CC[N@H+](Cc2ccccn2)C2CC2)c([N+](=O)[O-])c1 ZINC000299709649 258018789 /nfs/dbraw/zinc/01/87/89/258018789.db2.gz QDHMTDZOYFKURQ-UHFFFAOYSA-N 1 0 370.409 2.992 20 5 FFBDRO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cccc(F)c1[N+](=O)[O-] ZINC000302466551 258102777 /nfs/dbraw/zinc/10/27/77/258102777.db2.gz SQUSGWZJMODIEX-IBGZPJMESA-N 1 0 359.401 2.807 20 5 FFBDRO C[C@H]1CN(c2ccc(Br)cc2[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC000302475683 258103570 /nfs/dbraw/zinc/10/35/70/258103570.db2.gz DWZLCFOKMJXQOB-NSHDSACASA-N 1 0 372.263 2.639 20 5 FFBDRO COC(=O)c1cnc(N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000302749520 258109776 /nfs/dbraw/zinc/10/97/76/258109776.db2.gz GRQRHRXGLSQSBX-XQQFMLRXSA-N 1 0 350.419 2.555 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])c(N2CC[C@@H]([NH+]3CCCC3)C2)cc1Cl ZINC000301642582 258060467 /nfs/dbraw/zinc/06/04/67/258060467.db2.gz BSWMRIMGRBRDNT-LLVKDONJSA-N 1 0 353.806 2.709 20 5 FFBDRO C[C@@H]1C[NH+](CC2CCN(c3ncc(Cl)cc3[N+](=O)[O-])CC2)C[C@@H](C)O1 ZINC000301754797 258066264 /nfs/dbraw/zinc/06/62/64/258066264.db2.gz WXSZVJGTLROLQS-CHWSQXEVSA-N 1 0 368.865 2.969 20 5 FFBDRO O=[N+]([O-])c1cnc2ccc(N3CCC[C@@H](C[NH+]4CCCCCC4)C3)nn21 ZINC000302005047 258081434 /nfs/dbraw/zinc/08/14/34/258081434.db2.gz SGLULOJMARPXPN-HNNXBMFYSA-N 1 0 358.446 2.730 20 5 FFBDRO O=[N+]([O-])c1cnc2ccc(NC[C@H]3CC[N@H+](CCc4ccccc4)C3)nn21 ZINC000302019150 258082389 /nfs/dbraw/zinc/08/23/89/258082389.db2.gz ZUQZTKRGQIWTNM-MRXNPFEDSA-N 1 0 366.425 2.614 20 5 FFBDRO CC(C)c1n[nH]c(C(=O)N2CC[NH+](CC3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000331207659 258179600 /nfs/dbraw/zinc/17/96/00/258179600.db2.gz FHOJTYZFTWPRTA-UHFFFAOYSA-N 1 0 363.462 2.779 20 5 FFBDRO CS[C@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000332082741 258213172 /nfs/dbraw/zinc/21/31/72/258213172.db2.gz OLCIGEBIFYJXOE-GJZGRUSLSA-N 1 0 369.874 2.900 20 5 FFBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000332164850 258217075 /nfs/dbraw/zinc/21/70/75/258217075.db2.gz KNUAWITVWHKRTD-YPMHNXCESA-N 1 0 369.368 2.895 20 5 FFBDRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000332248824 258220997 /nfs/dbraw/zinc/22/09/97/258220997.db2.gz BUDPSXYMUQWPIL-HZPDHXFCSA-N 1 0 364.465 2.724 20 5 FFBDRO Cc1c(CN2CCN(C3CC[NH+](C(C)C)CC3)CC2)cccc1[N+](=O)[O-] ZINC000332386128 258228340 /nfs/dbraw/zinc/22/83/40/258228340.db2.gz JEVUBLTUSURTNU-UHFFFAOYSA-N 1 0 360.502 2.894 20 5 FFBDRO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000332668084 258239573 /nfs/dbraw/zinc/23/95/73/258239573.db2.gz OTQGOGCOKPFLQD-LBPRGKRZSA-N 1 0 353.369 2.502 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(CC(C)C)C1CC[NH+](C)CC1 ZINC000053671943 506426499 /nfs/dbraw/zinc/42/64/99/506426499.db2.gz TZQWQSRYOZOQTI-UHFFFAOYSA-N 1 0 369.487 2.644 20 5 FFBDRO CCc1ccc([C@H](CNC(=O)COc2cccc([N+](=O)[O-])c2)[NH+](C)C)cc1 ZINC000032735068 506286939 /nfs/dbraw/zinc/28/69/39/506286939.db2.gz RCEWPCNGTOPOAE-IBGZPJMESA-N 1 0 371.437 2.955 20 5 FFBDRO C[C@@H](CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)[N@@H+]1CCCC[C@H]1C ZINC000032737680 506287615 /nfs/dbraw/zinc/28/76/15/506287615.db2.gz GBNRWGPDGBDBFG-CABCVRRESA-N 1 0 371.441 2.773 20 5 FFBDRO C[C@@H](CNC(=O)NCc1cccc([N+](=O)[O-])c1)[N@@H+]1CCc2ccccc2C1 ZINC000065487210 506308823 /nfs/dbraw/zinc/30/88/23/506308823.db2.gz MYFUNDMXWDMTPD-HNNXBMFYSA-N 1 0 368.437 2.841 20 5 FFBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000065743510 506355679 /nfs/dbraw/zinc/35/56/79/506355679.db2.gz PNFAMUJYMJCMQS-UHFFFAOYSA-N 1 0 371.441 2.767 20 5 FFBDRO NC(=O)c1ccc(CN2CCC[N@H+](CC3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000054319032 506536629 /nfs/dbraw/zinc/53/66/29/506536629.db2.gz YPNBKZPIMRKRTL-UHFFFAOYSA-N 1 0 374.485 2.782 20 5 FFBDRO C[NH+](C)[C@H](CNC(=O)NCCc1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC000054647065 506594345 /nfs/dbraw/zinc/59/43/45/506594345.db2.gz OUSFKAGZGPSYSH-MRXNPFEDSA-N 1 0 362.455 2.801 20 5 FFBDRO Cc1ccc(CN(CC[NH+](C)C)C(=O)NCCc2ccc([N+](=O)[O-])cc2)o1 ZINC000054644356 506595079 /nfs/dbraw/zinc/59/50/79/506595079.db2.gz UWBYUEQLMRDARU-UHFFFAOYSA-N 1 0 374.441 2.812 20 5 FFBDRO CCOc1cc(C(=O)NC[C@H](CC(C)C)[NH+](C)C)c([N+](=O)[O-])cc1OC ZINC000042585653 506637867 /nfs/dbraw/zinc/63/78/67/506637867.db2.gz OPTBGVWRLOOBKC-ZDUSSCGKSA-N 1 0 367.446 2.708 20 5 FFBDRO O=C(C[N@@H+]1CCC[C@@H]1C1CCCC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000055927792 506890596 /nfs/dbraw/zinc/89/05/96/506890596.db2.gz KCGQRNYQLPNAQZ-CQSZACIVSA-N 1 0 361.398 2.917 20 5 FFBDRO CN1CCC([N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])c4cnccc34)C2)CC1 ZINC000369245562 512305385 /nfs/dbraw/zinc/30/53/85/512305385.db2.gz YPZBNIJKYJIIBM-AWEZNQCLSA-N 1 0 355.442 2.723 20 5 FFBDRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000067722813 506988972 /nfs/dbraw/zinc/98/89/72/506988972.db2.gz QUFGDZNOPHBJNX-KRWDZBQOSA-N 1 0 356.426 2.567 20 5 FFBDRO O=C1[C@H]([NH2+][C@@H]2CCCC23CCOCC3)CCN1c1cccc([N+](=O)[O-])c1 ZINC000367050718 512314808 /nfs/dbraw/zinc/31/48/08/512314808.db2.gz RSRIANKFTMKEBH-IAGOWNOFSA-N 1 0 359.426 2.639 20 5 FFBDRO O=C(COc1cccc([N+](=O)[O-])c1)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000046144703 507085469 /nfs/dbraw/zinc/08/54/69/507085469.db2.gz YPVUWXACCYSXPW-INIZCTEOSA-N 1 0 359.382 2.520 20 5 FFBDRO CC[NH+](CC)CCN(CC(C)C)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000068180988 507139630 /nfs/dbraw/zinc/13/96/30/507139630.db2.gz KWJFTGDITYGDKM-UHFFFAOYSA-N 1 0 361.446 2.911 20 5 FFBDRO C[N@H+](CCNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000068902007 507355209 /nfs/dbraw/zinc/35/52/09/507355209.db2.gz YBYPOUBPCXZEPL-UHFFFAOYSA-N 1 0 371.441 2.775 20 5 FFBDRO C[NH+](C)[C@H](CNC(=O)COc1ccc([N+](=O)[O-])c(F)c1)c1ccsc1 ZINC000069006567 507378921 /nfs/dbraw/zinc/37/89/21/507378921.db2.gz BSWXLEYPHCYXOZ-OAHLLOKOSA-N 1 0 367.402 2.593 20 5 FFBDRO CC[N@@H+]1CC[C@H](CNC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000047866224 507403365 /nfs/dbraw/zinc/40/33/65/507403365.db2.gz HOFNSEAIALWSOZ-SNVBAGLBSA-N 1 0 358.345 2.660 20 5 FFBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000058413200 507416421 /nfs/dbraw/zinc/41/64/21/507416421.db2.gz OMSATDLMOPRLBP-RMKNXTFCSA-N 1 0 366.421 2.784 20 5 FFBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000058883755 507476840 /nfs/dbraw/zinc/47/68/40/507476840.db2.gz BEYJMFWZEWDSFD-SCRDCRAPSA-N 1 0 364.421 2.794 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C(=O)NCCC[N@H+](C)Cc2ccccc2)c1 ZINC000060063823 507511750 /nfs/dbraw/zinc/51/17/50/507511750.db2.gz WKHQIONFIYLOJU-UHFFFAOYSA-N 1 0 357.410 2.855 20 5 FFBDRO CC1CC[NH+]([C@@H](CNc2ncc([N+](=O)[O-])c(N)n2)c2ccccc2)CC1 ZINC000060451838 507546396 /nfs/dbraw/zinc/54/63/96/507546396.db2.gz MRCZZSNFNGPLGG-HNNXBMFYSA-N 1 0 356.430 2.852 20 5 FFBDRO O=C(CC[NH+]1CCN(Cc2ccsc2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000026336615 507578884 /nfs/dbraw/zinc/57/88/84/507578884.db2.gz DSWRTWUIFLNRSF-UHFFFAOYSA-N 1 0 374.466 2.803 20 5 FFBDRO C[NH+](C)[C@H](CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])c1ccsc1 ZINC000026720554 507604099 /nfs/dbraw/zinc/60/40/99/507604099.db2.gz JTZMUFYLRUJYML-OAHLLOKOSA-N 1 0 359.411 2.608 20 5 FFBDRO C[C@@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(F)c(F)c1 ZINC000026713217 507604632 /nfs/dbraw/zinc/60/46/32/507604632.db2.gz XIWLHQOHSZOVIU-BXUZGUMPSA-N 1 0 352.337 2.964 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCCC[N@H+]2CCCC[C@H]2C)c1C ZINC000071808486 507717724 /nfs/dbraw/zinc/71/77/24/507717724.db2.gz VRXICQHTDYHPEG-CQSZACIVSA-N 1 0 369.487 2.754 20 5 FFBDRO Cc1nn(C)c(NCCC[NH+]2CCN(c3cccc(C)c3)CC2)c1[N+](=O)[O-] ZINC000051923752 507790238 /nfs/dbraw/zinc/79/02/38/507790238.db2.gz BXLJJUQZGZXDQN-UHFFFAOYSA-N 1 0 372.473 2.569 20 5 FFBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000064725821 507807795 /nfs/dbraw/zinc/80/77/95/507807795.db2.gz XBDUBXCKXRNZAR-OWCLPIDISA-N 1 0 361.442 2.837 20 5 FFBDRO O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)c1ccc([N+](=O)[O-])s1 ZINC000031240661 507818500 /nfs/dbraw/zinc/81/85/00/507818500.db2.gz DOHKFALMHCAENR-UHFFFAOYSA-N 1 0 374.466 2.598 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1C[C@@H](C)S[C@H](C)C1 ZINC000072770549 507851247 /nfs/dbraw/zinc/85/12/47/507851247.db2.gz CLIYKDPSLHOAPA-VXGBXAGGSA-N 1 0 353.444 2.758 20 5 FFBDRO CN(CC[C@H]1CCCC[N@@H+]1C)c1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000078454781 507872135 /nfs/dbraw/zinc/87/21/35/507872135.db2.gz VCVUUOXESSPTNO-MRXNPFEDSA-N 1 0 360.458 2.798 20 5 FFBDRO C[N@H+](CCNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C1CCCC1 ZINC000078510186 507878603 /nfs/dbraw/zinc/87/86/03/507878603.db2.gz NMTHLWNSVZAPGX-UHFFFAOYSA-N 1 0 360.458 2.799 20 5 FFBDRO CC[NH+](CC)[C@@H]1CCN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C1 ZINC000078576682 507885458 /nfs/dbraw/zinc/88/54/58/507885458.db2.gz CPXRDNYHUDBTKP-MRXNPFEDSA-N 1 0 360.458 2.751 20 5 FFBDRO COc1cc(C[N@@H+]2CCC[C@H]([C@H](C)O)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000089929005 507885957 /nfs/dbraw/zinc/88/59/57/507885957.db2.gz BTCMQATTYUVRMA-QWRGUYRKSA-N 1 0 360.357 2.798 20 5 FFBDRO CC[C@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000090068433 507905930 /nfs/dbraw/zinc/90/59/30/507905930.db2.gz YYBOYNXYYDRCFZ-IRXDYDNUSA-N 1 0 357.414 2.565 20 5 FFBDRO COc1ccc(CC2CC[NH+](CCn3cc([N+](=O)[O-])ccc3=O)CC2)cc1 ZINC000090523074 507925486 /nfs/dbraw/zinc/92/54/86/507925486.db2.gz AGTMJNHSMPAVAC-UHFFFAOYSA-N 1 0 371.437 2.720 20 5 FFBDRO CC[C@@H](CSC)[N@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000091099784 507955274 /nfs/dbraw/zinc/95/52/74/507955274.db2.gz JANZASZYYDTDGH-LBPRGKRZSA-N 1 0 353.444 2.966 20 5 FFBDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)CCn2cc([N+](=O)[O-])nc2C)C1 ZINC000109966512 507998149 /nfs/dbraw/zinc/99/81/49/507998149.db2.gz OIGAYEISWJSYLK-HNNXBMFYSA-N 1 0 365.478 2.507 20 5 FFBDRO CC1CCN(c2ccc(C(=O)NC[C@@H]3CC[N@H+](C)C3)cc2[N+](=O)[O-])CC1 ZINC000110653207 508039672 /nfs/dbraw/zinc/03/96/72/508039672.db2.gz WFQWCJTWIXITPV-HNNXBMFYSA-N 1 0 360.458 2.513 20 5 FFBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCC[N@@H+]2CC)cc1OC ZINC000110996518 508063831 /nfs/dbraw/zinc/06/38/31/508063831.db2.gz IWMRKWZDOVCOHK-CYBMUJFWSA-N 1 0 365.430 2.606 20 5 FFBDRO CCN1CC[NH+](C[C@@H](C)CNc2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000092612724 508086450 /nfs/dbraw/zinc/08/64/50/508086450.db2.gz HUPKSBOMOGDOMQ-ZDUSSCGKSA-N 1 0 372.416 2.882 20 5 FFBDRO CCN1CC[NH+](C[C@H](C)CNc2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000092612741 508086717 /nfs/dbraw/zinc/08/67/17/508086717.db2.gz RVAMIQSYIPBRTN-OAHLLOKOSA-N 1 0 357.458 2.829 20 5 FFBDRO CC(C)[NH+](CCCNC(=O)NCCc1ccccc1[N+](=O)[O-])C(C)C ZINC000080708001 508096171 /nfs/dbraw/zinc/09/61/71/508096171.db2.gz QGJARQDZEDSBTM-UHFFFAOYSA-N 1 0 350.463 2.945 20 5 FFBDRO CC[C@](C)(O)C[NH2+]Cc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000111384727 508096257 /nfs/dbraw/zinc/09/62/57/508096257.db2.gz OQMZCVBLJZSJDB-AWEZNQCLSA-N 1 0 366.336 2.795 20 5 FFBDRO C[C@H]1C[C@H]1c1ccc(C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C2CC2)o1 ZINC000075588846 508120631 /nfs/dbraw/zinc/12/06/31/508120631.db2.gz FSMPWCOSJHILKC-YLQAJVPDSA-N 1 0 360.414 2.533 20 5 FFBDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000081128573 508141006 /nfs/dbraw/zinc/14/10/06/508141006.db2.gz CKNHOJHKJUAVBG-LJQANCHMSA-N 1 0 353.422 2.870 20 5 FFBDRO CCCn1nc(C)c(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1C ZINC000093534245 508147384 /nfs/dbraw/zinc/14/73/84/508147384.db2.gz MQWKCWYQDQYRMH-HNNXBMFYSA-N 1 0 358.446 2.900 20 5 FFBDRO CNC(=O)CCC[N@H+](C)Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000093717827 508153131 /nfs/dbraw/zinc/15/31/31/508153131.db2.gz NNJQGWZMQBLVMB-UHFFFAOYSA-N 1 0 361.398 2.821 20 5 FFBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000081334072 508164094 /nfs/dbraw/zinc/16/40/94/508164094.db2.gz CSODXKHYABCXIN-MRXNPFEDSA-N 1 0 362.474 2.977 20 5 FFBDRO C[NH+](C)CCc1ccc(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)cc1 ZINC000076222735 508171666 /nfs/dbraw/zinc/17/16/66/508171666.db2.gz YRXXCFVWZKVDEE-UHFFFAOYSA-N 1 0 353.382 2.828 20 5 FFBDRO CC1CC[NH+](C[C@H]2CCCN(CC(=O)Nc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000112658537 508206692 /nfs/dbraw/zinc/20/66/92/508206692.db2.gz WGPRXXMXNVWHSB-QGZVFWFLSA-N 1 0 374.485 2.977 20 5 FFBDRO CN(CCCC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000081787599 508211205 /nfs/dbraw/zinc/21/12/05/508211205.db2.gz YPDRTUOEMIKUSH-UHFFFAOYSA-N 1 0 358.236 2.771 20 5 FFBDRO CC[N@H+](CCNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)C1CC1 ZINC000102066024 508266189 /nfs/dbraw/zinc/26/61/89/508266189.db2.gz FEDBJYQSUNHBPF-UHFFFAOYSA-N 1 0 358.345 2.802 20 5 FFBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[NH+](CC2CC2)CC1 ZINC000077196084 508285511 /nfs/dbraw/zinc/28/55/11/508285511.db2.gz AJTBEOAPPKAUDA-ZDUSSCGKSA-N 1 0 357.414 2.733 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCOC[C@H]1CC(C)C ZINC000113942111 508287372 /nfs/dbraw/zinc/28/73/72/508287372.db2.gz UBIVRPNEOHARLA-OAHLLOKOSA-N 1 0 365.430 2.679 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000085619956 508314421 /nfs/dbraw/zinc/31/44/21/508314421.db2.gz ULXLNLSDZLWSCI-OAHLLOKOSA-N 1 0 364.446 2.690 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000085620013 508314553 /nfs/dbraw/zinc/31/45/53/508314553.db2.gz UJPCJHMLFSJYQA-KBPBESRZSA-N 1 0 364.446 2.832 20 5 FFBDRO C[C@@H]1C[NH+](CCCCNC(=O)CCc2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000087496388 508354036 /nfs/dbraw/zinc/35/40/36/508354036.db2.gz JBERROLAONFJBL-HZPDHXFCSA-N 1 0 363.458 2.533 20 5 FFBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(C)c2)[C@H](C)C1 ZINC000115274199 508380454 /nfs/dbraw/zinc/38/04/54/508380454.db2.gz RZXXLUITEWCKIC-NVXWUHKLSA-N 1 0 363.458 2.770 20 5 FFBDRO CC1CCC([NH+]2CCN(CC(=O)Nc3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000115567128 508410637 /nfs/dbraw/zinc/41/06/37/508410637.db2.gz PGQYEXHVYVLWLM-UHFFFAOYSA-N 1 0 360.458 2.730 20 5 FFBDRO Cc1ccc(C(=O)N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)cc1[N+](=O)[O-] ZINC000133626309 508425773 /nfs/dbraw/zinc/42/57/73/508425773.db2.gz CUGBOWGFRQZWKX-IRXDYDNUSA-N 1 0 374.485 2.534 20 5 FFBDRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000121987345 508462751 /nfs/dbraw/zinc/46/27/51/508462751.db2.gz LTWLQJWJMRRYPK-DGCLKSJQSA-N 1 0 355.822 2.745 20 5 FFBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC([NH+](C)C)CC1 ZINC000127909776 508519858 /nfs/dbraw/zinc/51/98/58/508519858.db2.gz UXLUJTGUBBUZGW-NSHDSACASA-N 1 0 354.838 2.601 20 5 FFBDRO CCC(CC)(CNC(=O)c1c([N+](=O)[O-])cnn1C)[NH2+][C@@H](C)c1ccccc1 ZINC000122377633 508525335 /nfs/dbraw/zinc/52/53/35/508525335.db2.gz FKJPAANGVLNXJJ-AWEZNQCLSA-N 1 0 373.457 2.968 20 5 FFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000153083012 508545992 /nfs/dbraw/zinc/54/59/92/508545992.db2.gz MQAOLCMVSHNJLC-UHFFFAOYSA-N 1 0 356.426 2.939 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134873652 508571493 /nfs/dbraw/zinc/57/14/93/508571493.db2.gz ZHNLQPAYZDKSIC-DNVCBOLYSA-N 1 0 372.469 2.790 20 5 FFBDRO CCCNC(=O)CN1CCC([NH2+][C@H](CC)c2cccc([N+](=O)[O-])c2)CC1 ZINC000153489655 508588915 /nfs/dbraw/zinc/58/89/15/508588915.db2.gz AWJFZQSPUFYQOI-GOSISDBHSA-N 1 0 362.474 2.626 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000122926518 508607976 /nfs/dbraw/zinc/60/79/76/508607976.db2.gz CQSBEFIQOWDZSH-MRXNPFEDSA-N 1 0 372.425 2.898 20 5 FFBDRO C[C@@H]1CN(C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000153656376 508618363 /nfs/dbraw/zinc/61/83/63/508618363.db2.gz LOFJVHBYJDLARZ-PHIMTYICSA-N 1 0 374.363 2.624 20 5 FFBDRO COC(=O)[C@H](C)C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C1CC1 ZINC000153742814 508639225 /nfs/dbraw/zinc/63/92/25/508639225.db2.gz XQPASSXLDGGKPT-CYBMUJFWSA-N 1 0 363.414 2.505 20 5 FFBDRO C[C@@H]1C[C@H](N(C)CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000123199090 508651225 /nfs/dbraw/zinc/65/12/25/508651225.db2.gz UHUBGROLADNFKN-DGCLKSJQSA-N 1 0 354.838 2.601 20 5 FFBDRO CC1CC[NH+](CCCNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC000153809956 508654137 /nfs/dbraw/zinc/65/41/37/508654137.db2.gz INGPITRJTRMWII-UHFFFAOYSA-N 1 0 360.458 2.785 20 5 FFBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000118841698 508682481 /nfs/dbraw/zinc/68/24/81/508682481.db2.gz UIOHIAQFRDTFHP-QWHCGFSZSA-N 1 0 368.865 2.849 20 5 FFBDRO CC[N@@H+]1CC[C@@H](CNC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)C1 ZINC000119097456 508725039 /nfs/dbraw/zinc/72/50/39/508725039.db2.gz OHXLOYAHYZXAAC-NSHDSACASA-N 1 0 370.247 2.737 20 5 FFBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](Cc2nccn2C)C1 ZINC000123848901 508747395 /nfs/dbraw/zinc/74/73/95/508747395.db2.gz BQPBFFUWVFHFRU-LSDHHAIUSA-N 1 0 371.441 2.610 20 5 FFBDRO CC[NH+](CC)[C@@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])c1ccccc1Cl ZINC000158942615 508771598 /nfs/dbraw/zinc/77/15/98/508771598.db2.gz CQCHTSYLCMYPGP-ZDUSSCGKSA-N 1 0 365.821 2.784 20 5 FFBDRO Cc1sc(S(=O)(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)cc1[N+](=O)[O-] ZINC000124076909 508780209 /nfs/dbraw/zinc/78/02/09/508780209.db2.gz HVVYBGDZIHUWSY-LBPRGKRZSA-N 1 0 363.505 2.609 20 5 FFBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000159032630 508783628 /nfs/dbraw/zinc/78/36/28/508783628.db2.gz FOGWEPZNRCKSKU-JTQLQIEISA-N 1 0 356.220 2.571 20 5 FFBDRO C[NH+]1CCC(N(Cc2ccco2)C(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000124154215 508789792 /nfs/dbraw/zinc/78/97/92/508789792.db2.gz DRURFAGORLMOCS-UHFFFAOYSA-N 1 0 373.409 2.690 20 5 FFBDRO C[N@@H+]1CCC[C@@H]2CN(CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000139911307 508796859 /nfs/dbraw/zinc/79/68/59/508796859.db2.gz HWCALUSISDRHGN-DOMZBBRYSA-N 1 0 366.849 2.603 20 5 FFBDRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc([N+](=O)[O-])cc1Br ZINC000119476651 508804309 /nfs/dbraw/zinc/80/43/09/508804309.db2.gz IMEAKYDXKDLWFJ-SNVBAGLBSA-N 1 0 368.231 2.571 20 5 FFBDRO CN(CCN1C(=O)c2ccccc2C1=O)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000119538465 508814805 /nfs/dbraw/zinc/81/48/05/508814805.db2.gz YKTPFRHPBAZABY-UHFFFAOYSA-N 1 0 373.796 2.976 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000159257886 508815490 /nfs/dbraw/zinc/81/54/90/508815490.db2.gz CAOACTXUPVYMMQ-CXAGYDPISA-N 1 0 359.426 2.579 20 5 FFBDRO C[NH+](C)CCn1c(=O)oc2ccc(NCc3csc([N+](=O)[O-])c3)cc21 ZINC000124648601 508864069 /nfs/dbraw/zinc/86/40/69/508864069.db2.gz HCGAIGBSZIBBFZ-UHFFFAOYSA-N 1 0 362.411 2.738 20 5 FFBDRO CCC(CC)(CNC(=O)c1[nH]ncc1[N+](=O)[O-])[NH2+][C@H](C)c1ccccc1 ZINC000154950291 508889818 /nfs/dbraw/zinc/88/98/18/508889818.db2.gz BIMUOGNSWPAISK-CYBMUJFWSA-N 1 0 359.430 2.957 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H]3CCCS3(=O)=O)s2)cc1 ZINC000131735934 508964795 /nfs/dbraw/zinc/96/47/95/508964795.db2.gz QQVKSBCCSMOTSA-OAHLLOKOSA-N 1 0 366.464 2.990 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000125379471 508974667 /nfs/dbraw/zinc/97/46/67/508974667.db2.gz NMNIODQFXIBEPG-IRXDYDNUSA-N 1 0 374.485 2.534 20 5 FFBDRO CCC[C@@H]([NH2+]C1CCN(CC(=O)N(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000160400415 508982161 /nfs/dbraw/zinc/98/21/61/508982161.db2.gz HZZNNNSTJCMNPD-GOSISDBHSA-N 1 0 362.474 2.578 20 5 FFBDRO Cc1cnn([C@H]2CC[N@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)c1 ZINC000377761353 512436113 /nfs/dbraw/zinc/43/61/13/512436113.db2.gz PFRVAZRHZOCWOS-INIZCTEOSA-N 1 0 357.414 2.684 20 5 FFBDRO O=C(C[N@H+](Cc1ccccc1)[C@@H](CO)C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000155902659 509089868 /nfs/dbraw/zinc/08/98/68/509089868.db2.gz MGASSEFYMXFVNH-IBGZPJMESA-N 1 0 369.421 2.806 20 5 FFBDRO O=[N+]([O-])c1ccc2oc(CN3CCC([C@H](O)C(F)(F)F)CC3)nc2c1 ZINC000161327664 509102966 /nfs/dbraw/zinc/10/29/66/509102966.db2.gz KUPBJJOPNKVFOJ-AWEZNQCLSA-N 1 0 359.304 2.871 20 5 FFBDRO CC(C)(C[NH3+])NC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000151881233 509103012 /nfs/dbraw/zinc/10/30/12/509103012.db2.gz GJOKYLWVAJHRHP-UHFFFAOYSA-N 1 0 372.212 2.554 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(Sc2nnc([C@@H]3CCC[NH2+]C3)n2C2CC2)n1 ZINC000126639041 509106449 /nfs/dbraw/zinc/10/64/49/509106449.db2.gz TWXBHNYWDJUHLL-LLVKDONJSA-N 1 0 360.443 2.843 20 5 FFBDRO CSCC[C@H](CO)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000133126791 509119937 /nfs/dbraw/zinc/11/99/37/509119937.db2.gz DNMVQIBJIWZFDA-GFCCVEGCSA-N 1 0 353.469 2.922 20 5 FFBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000161549267 509128003 /nfs/dbraw/zinc/12/80/03/509128003.db2.gz RYBZKSXVFPXOOQ-NSHDSACASA-N 1 0 370.247 2.962 20 5 FFBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2c([N+](=O)[O-])cnn2C)cc1 ZINC000162104671 509172575 /nfs/dbraw/zinc/17/25/75/509172575.db2.gz BKCIHMLZNQYHOR-CQSZACIVSA-N 1 0 371.441 2.633 20 5 FFBDRO Cc1cccc([C@@H]2CCC[N@@H+]2C[C@@H](O)COc2cccc([N+](=O)[O-])c2)n1 ZINC000247922314 509192157 /nfs/dbraw/zinc/19/21/57/509192157.db2.gz BHKXMOHPAVYXME-APWZRJJASA-N 1 0 357.410 2.875 20 5 FFBDRO C[N@@H+]1CC[C@@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000247962268 509202136 /nfs/dbraw/zinc/20/21/36/509202136.db2.gz DATCJQJKDKYAPW-OXQOHEQNSA-N 1 0 369.421 2.925 20 5 FFBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2c([N+](=O)[O-])cnn2C)cc1 ZINC000162388134 509213549 /nfs/dbraw/zinc/21/35/49/509213549.db2.gz MFMPWWYRYWMIES-CYBMUJFWSA-N 1 0 357.414 2.955 20 5 FFBDRO COc1ccc(F)cc1[C@H](C)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182403255 509220870 /nfs/dbraw/zinc/22/08/70/509220870.db2.gz JUJQRAOITCVZMZ-GXTWGEPZSA-N 1 0 364.373 2.833 20 5 FFBDRO C[NH+](C)[C@@H](CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000191884907 509230412 /nfs/dbraw/zinc/23/04/12/509230412.db2.gz ZCYIFYJLZPUDTO-KRWDZBQOSA-N 1 0 369.487 2.525 20 5 FFBDRO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1cccc(F)c1F ZINC000182456015 509248009 /nfs/dbraw/zinc/24/80/09/509248009.db2.gz OOLGKIZQQUDTCU-NWDGAFQWSA-N 1 0 352.337 2.964 20 5 FFBDRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000185671616 509297566 /nfs/dbraw/zinc/29/75/66/509297566.db2.gz VHZLPOFPGHYALC-ZDUSSCGKSA-N 1 0 370.409 2.651 20 5 FFBDRO COc1ccc(OCCN2CC[NH+](C3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000163072699 509337313 /nfs/dbraw/zinc/33/73/13/509337313.db2.gz BFYBYECCOZJJAQ-UHFFFAOYSA-N 1 0 363.458 2.933 20 5 FFBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000192090690 509341180 /nfs/dbraw/zinc/34/11/80/509341180.db2.gz PZYWWZGUIYBSRG-CABCVRRESA-N 1 0 354.769 2.704 20 5 FFBDRO C[C@H](C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000163580989 509396321 /nfs/dbraw/zinc/39/63/21/509396321.db2.gz HHARYAOBDCRPGR-HNAYVOBHSA-N 1 0 368.437 2.580 20 5 FFBDRO CCCc1n[nH]c(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000248719035 509451158 /nfs/dbraw/zinc/45/11/58/509451158.db2.gz CDVJBGKBCXQYCM-CZUORRHYSA-N 1 0 371.441 2.521 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)[C@H](C)C1 ZINC000173259562 509485767 /nfs/dbraw/zinc/48/57/67/509485767.db2.gz XMICXBFCERNSMY-CZUORRHYSA-N 1 0 369.487 2.562 20 5 FFBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000248816807 509495858 /nfs/dbraw/zinc/49/58/58/509495858.db2.gz LAKNBZFUOFWMNE-HNAYVOBHSA-N 1 0 353.422 2.774 20 5 FFBDRO C[NH+](C)CCN(Cc1cccs1)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000176459235 509524754 /nfs/dbraw/zinc/52/47/54/509524754.db2.gz XOAMACPNPUGHNM-UHFFFAOYSA-N 1 0 362.455 2.930 20 5 FFBDRO CCC[C@@H]([NH2+][C@@H](C(=O)N1CCOCC1)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000164928524 509547160 /nfs/dbraw/zinc/54/71/60/509547160.db2.gz CFIMAJAOHHNODL-QZTJIDSGSA-N 1 0 363.458 2.909 20 5 FFBDRO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNc3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000264472867 509548573 /nfs/dbraw/zinc/54/85/73/509548573.db2.gz OAKABYFVQHDDDZ-KRWDZBQOSA-N 1 0 368.437 2.904 20 5 FFBDRO C[NH+](C)CC1(CNC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CCCC1 ZINC000186185048 509565163 /nfs/dbraw/zinc/56/51/63/509565163.db2.gz WLAGNVRCJHJTSM-UHFFFAOYSA-N 1 0 371.441 2.632 20 5 FFBDRO CCCNC(=O)CN1CCC([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000192662573 509589006 /nfs/dbraw/zinc/58/90/06/509589006.db2.gz VDNZFYCSCMEPSH-LJQANCHMSA-N 1 0 374.485 2.552 20 5 FFBDRO COc1cccc(COC[C@@H](O)C[N@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000192707236 509606072 /nfs/dbraw/zinc/60/60/72/509606072.db2.gz GDCVIDAGSXVTIP-KRWDZBQOSA-N 1 0 360.410 2.613 20 5 FFBDRO C[NH2+]C[C@H]1CCCN1C(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000237264127 509606103 /nfs/dbraw/zinc/60/61/03/509606103.db2.gz KDJAGUWAOZFZEE-HLLBOEOZSA-N 1 0 374.485 2.901 20 5 FFBDRO C[C@H](CCNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH+]1CCCCC1 ZINC000183130100 509616200 /nfs/dbraw/zinc/61/62/00/509616200.db2.gz ILMOAWRMSGPZLA-CQSZACIVSA-N 1 0 358.442 2.999 20 5 FFBDRO Cc1nc2ccccc2nc1C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173471833 509621667 /nfs/dbraw/zinc/62/16/67/509621667.db2.gz ACSRVJZEBAVITA-CQSZACIVSA-N 1 0 364.409 2.928 20 5 FFBDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000237323913 509623033 /nfs/dbraw/zinc/62/30/33/509623033.db2.gz XXSCUXIABIOGGI-ZJUUUORDSA-N 1 0 356.220 2.557 20 5 FFBDRO CCOC(=O)C[C@@H](C)[N@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000183181422 509644080 /nfs/dbraw/zinc/64/40/80/509644080.db2.gz FTOTUKSTXCIOCB-CYBMUJFWSA-N 1 0 360.414 2.769 20 5 FFBDRO [NH3+]CCOc1ccc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)cc1 ZINC000183230899 509667989 /nfs/dbraw/zinc/66/79/89/509667989.db2.gz PLXVHBCYCDBXFP-UHFFFAOYSA-N 1 0 356.382 2.759 20 5 FFBDRO COc1ccc(NC(=O)C[NH2+][C@H]2CCCO[C@@H]2CC(C)C)c([N+](=O)[O-])c1 ZINC000186364059 509670707 /nfs/dbraw/zinc/67/07/07/509670707.db2.gz BYUVBGUGXFKAOE-DOTOQJQBSA-N 1 0 365.430 2.725 20 5 FFBDRO C[C@@H]1C[N@@H+](CCCCNC(=O)Nc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000267946610 509681382 /nfs/dbraw/zinc/68/13/82/509681382.db2.gz PEOPNXMIOWBIHZ-OKILXGFUSA-N 1 0 350.419 2.606 20 5 FFBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NCC3=CC[NH2+]CC3)cc2[N+](=O)[O-])C1 ZINC000186397341 509688988 /nfs/dbraw/zinc/68/89/88/509688988.db2.gz PEIGKMZFIRRFHY-HUUCEWRRSA-N 1 0 372.469 2.727 20 5 FFBDRO NC(=O)COc1cccc(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000192908866 509694674 /nfs/dbraw/zinc/69/46/74/509694674.db2.gz GOMZBWOWLUZENU-SFHVURJKSA-N 1 0 355.394 2.626 20 5 FFBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000173666532 509708630 /nfs/dbraw/zinc/70/86/30/509708630.db2.gz JIIRFWPGFGDVQE-OAHLLOKOSA-N 1 0 369.487 2.652 20 5 FFBDRO C[C@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCC([NH3+])CC3)cc2[N+](=O)[O-])C1 ZINC000237712580 509716630 /nfs/dbraw/zinc/71/66/30/509716630.db2.gz BGHZPLCALCXXNF-KBPBESRZSA-N 1 0 360.458 2.640 20 5 FFBDRO COc1cc(C[N@@H+]2CCCC[C@H]2[C@H](C)O)c([N+](=O)[O-])cc1OCC(F)F ZINC000180058726 509729161 /nfs/dbraw/zinc/72/91/61/509729161.db2.gz JDTOHROUYBIIBZ-AAEUAGOBSA-N 1 0 374.384 2.983 20 5 FFBDRO C[C@@H]1C[C@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000268040713 509731025 /nfs/dbraw/zinc/73/10/25/509731025.db2.gz XYWBBGDLFRDMIF-KOLCDFICSA-N 1 0 357.332 2.969 20 5 FFBDRO C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H](c1ccccc1)[NH+](C)C ZINC000186586575 509787886 /nfs/dbraw/zinc/78/78/86/509787886.db2.gz OJNMNIFRODXMNT-CXAGYDPISA-N 1 0 363.439 2.565 20 5 FFBDRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000238023717 509801934 /nfs/dbraw/zinc/80/19/34/509801934.db2.gz WOBVNIHRWSTKJN-TZMCWYRMSA-N 1 0 360.439 2.966 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CCN3CCSCC3)cs2)c1 ZINC000264987295 509811391 /nfs/dbraw/zinc/81/13/91/509811391.db2.gz WCCQZNOTCNRDDQ-UHFFFAOYSA-N 1 0 364.496 2.857 20 5 FFBDRO COc1ccc(OCCN(C)CC[C@H]2CCCC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC000173960799 509876561 /nfs/dbraw/zinc/87/65/61/509876561.db2.gz PKRCKLITJPSWBS-OAHLLOKOSA-N 1 0 351.447 2.788 20 5 FFBDRO COc1cc(CN(C)CC[N@H+](C)C2CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000186754027 509889385 /nfs/dbraw/zinc/88/93/85/509889385.db2.gz HEHWWJRLDJMYJW-UHFFFAOYSA-N 1 0 359.373 2.731 20 5 FFBDRO NC(=O)c1ccc(C[N@H+](CCc2ccccc2)[C@@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000177138825 509895984 /nfs/dbraw/zinc/89/59/84/509895984.db2.gz ARNKXHQDMMWDEA-GOSISDBHSA-N 1 0 369.421 2.527 20 5 FFBDRO Cc1cccc(OCCNC(=O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000180444062 509927271 /nfs/dbraw/zinc/92/72/71/509927271.db2.gz RSXJFMDXXDXBGQ-HNNXBMFYSA-N 1 0 357.410 2.749 20 5 FFBDRO CCc1oc(C(=O)OC)cc1C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000177199415 509932564 /nfs/dbraw/zinc/93/25/64/509932564.db2.gz AVGQKVZBKUJJJH-ZDUSSCGKSA-N 1 0 374.397 2.618 20 5 FFBDRO C[C@@H]1C[C@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC000177207976 509937742 /nfs/dbraw/zinc/93/77/42/509937742.db2.gz NWMUOXNEWGHTPX-HIFRSBDPSA-N 1 0 358.442 2.550 20 5 FFBDRO C[N@@H+](Cc1cc(F)c(F)c(F)c1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000180496339 509955634 /nfs/dbraw/zinc/95/56/34/509955634.db2.gz DCOBDPGQJLXJGA-CYBMUJFWSA-N 1 0 370.327 2.884 20 5 FFBDRO C[C@H]1CCC[N@H+](CCCCNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000180508023 509960475 /nfs/dbraw/zinc/96/04/75/509960475.db2.gz QFPAXDXNKXKVRC-ZDUSSCGKSA-N 1 0 363.414 2.565 20 5 FFBDRO Cc1c(NC(=O)CC[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)cccc1[N+](=O)[O-] ZINC000193585279 509978129 /nfs/dbraw/zinc/97/81/29/509978129.db2.gz HRJHVDMHXYCTFB-AWEZNQCLSA-N 1 0 357.414 2.835 20 5 FFBDRO COC(=O)c1cnc(NCCCC[N@@H+]2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000190168008 509982340 /nfs/dbraw/zinc/98/23/40/509982340.db2.gz IILBMKXRPAHCHZ-CYBMUJFWSA-N 1 0 350.419 2.843 20 5 FFBDRO CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000177312283 509991203 /nfs/dbraw/zinc/99/12/03/509991203.db2.gz JBILXFYYBLMAHK-CVEARBPZSA-N 1 0 360.458 2.790 20 5 FFBDRO C[C@H](CCS(C)(=O)=O)[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000245564276 510011138 /nfs/dbraw/zinc/01/11/38/510011138.db2.gz WFGBUONULGQRSY-YCPHGPKFSA-N 1 0 354.472 2.719 20 5 FFBDRO C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)[C@@H](C[NH3+])C1 ZINC000261648892 510014049 /nfs/dbraw/zinc/01/40/49/510014049.db2.gz BERBLIANZKRPAS-GXSJLCMTSA-N 1 0 356.220 2.557 20 5 FFBDRO CC[NH+](CC)[C@H](CNC(=O)c1c(N)cccc1[N+](=O)[O-])Cc1ccccc1 ZINC000180645376 510031178 /nfs/dbraw/zinc/03/11/78/510031178.db2.gz RJDQUFRHRYDPGT-INIZCTEOSA-N 1 0 370.453 2.860 20 5 FFBDRO COc1ccc(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000268622707 510040418 /nfs/dbraw/zinc/04/04/18/510040418.db2.gz YNIVBKSWMBCANO-KRWDZBQOSA-N 1 0 369.421 2.950 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[NH2+]C[C@H]1c1cccc(F)c1 ZINC000261771092 510057486 /nfs/dbraw/zinc/05/74/86/510057486.db2.gz OSBWZFXJJWVNOX-SFHVURJKSA-N 1 0 372.400 2.627 20 5 FFBDRO C[NH2+][C@H](C)CNC(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 ZINC000261806792 510071571 /nfs/dbraw/zinc/07/15/71/510071571.db2.gz SJANFYYJDKJIFE-SECBINFHSA-N 1 0 366.468 2.849 20 5 FFBDRO CCc1n[nH]c(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000171368696 510110810 /nfs/dbraw/zinc/11/08/10/510110810.db2.gz NVWVQJGNFHLTNE-LBPRGKRZSA-N 1 0 363.443 2.509 20 5 FFBDRO O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCC2(CC[NH2+]C2)CC1 ZINC000261914795 510114216 /nfs/dbraw/zinc/11/42/16/510114216.db2.gz YBFPTCNLBCESMX-UHFFFAOYSA-N 1 0 357.332 2.829 20 5 FFBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC(C[NH+]2CCCC2)CC1 ZINC000171389061 510125904 /nfs/dbraw/zinc/12/59/04/510125904.db2.gz PNSVACSIZSHWFX-OAHLLOKOSA-N 1 0 360.458 2.730 20 5 FFBDRO CC(C)c1ccc([C@H]([NH3+])CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000261963439 510129922 /nfs/dbraw/zinc/12/99/22/510129922.db2.gz AMAOWGUCYDJFGL-QGZVFWFLSA-N 1 0 363.439 2.697 20 5 FFBDRO C[C@@H](Nc1ccc(C(=O)NC[C@H]([NH3+])C2CC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000261961876 510131037 /nfs/dbraw/zinc/13/10/37/510131037.db2.gz RZCLGWXASHWGLV-DOMZBBRYSA-N 1 0 369.425 2.630 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000193949939 510144803 /nfs/dbraw/zinc/14/48/03/510144803.db2.gz POPSUPGUXIQWFN-CQSZACIVSA-N 1 0 364.446 2.667 20 5 FFBDRO [NH3+][C@@H]1CN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@H]1c1ccccc1 ZINC000262058560 510162592 /nfs/dbraw/zinc/16/25/92/510162592.db2.gz VSBNQVVTPCKCAJ-DLBZAZTESA-N 1 0 365.393 2.572 20 5 FFBDRO CCO[C@@H]1C[C@@]([NH3+])(C(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)C1(C)C ZINC000187283939 510171086 /nfs/dbraw/zinc/17/10/86/510171086.db2.gz PFBRCUQWVLSCED-RHSMWYFYSA-N 1 0 369.849 2.739 20 5 FFBDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000262094374 510175795 /nfs/dbraw/zinc/17/57/95/510175795.db2.gz YVBDOXHHFOMBAI-GJZGRUSLSA-N 1 0 360.458 2.640 20 5 FFBDRO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)NC(=O)Nc1ccccc1 ZINC000194057153 510196635 /nfs/dbraw/zinc/19/66/35/510196635.db2.gz RYBFASUNDBTRTK-STQMWFEESA-N 1 0 356.382 2.982 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@H]3CCC[N@@H+]3Cc3ccccc32)cc1 ZINC000180949219 510201505 /nfs/dbraw/zinc/20/15/05/510201505.db2.gz JCLBFPLRPTUWQI-MRXNPFEDSA-N 1 0 373.434 2.768 20 5 FFBDRO O=C(NCc1cccc([N+](=O)[O-])c1)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000194107141 510218014 /nfs/dbraw/zinc/21/80/14/510218014.db2.gz SUTFAQGUYXPPKH-SFHVURJKSA-N 1 0 368.437 2.916 20 5 FFBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000181037176 510250826 /nfs/dbraw/zinc/25/08/26/510250826.db2.gz SZSWBFPZSNRZMX-HNNXBMFYSA-N 1 0 360.458 2.905 20 5 FFBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000246025809 510254534 /nfs/dbraw/zinc/25/45/34/510254534.db2.gz VNGNHSFYCKZVFJ-FZMZJTMJSA-N 1 0 369.368 2.753 20 5 FFBDRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000269190394 510282757 /nfs/dbraw/zinc/28/27/57/510282757.db2.gz HOUAKQUWFSYISU-KWQFWETISA-N 1 0 374.210 2.744 20 5 FFBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N[C@@H]3CCC[C@H]3C[NH3+])cc2[N+](=O)[O-])C1 ZINC000262629810 510342149 /nfs/dbraw/zinc/34/21/49/510342149.db2.gz NBNDHUGMPLLITB-HDEZJCGLSA-N 1 0 374.485 2.934 20 5 FFBDRO COc1cccc(C(=O)NCC[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000178016420 510379335 /nfs/dbraw/zinc/37/93/35/510379335.db2.gz INQXWDDOEXMCGQ-AWEZNQCLSA-N 1 0 357.410 2.992 20 5 FFBDRO CC(C)[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1cc([N+](=O)[O-])ccc1N(C)C)C2 ZINC000174985076 510419391 /nfs/dbraw/zinc/41/93/91/510419391.db2.gz FZXSNFAZNASEKA-GOEBONIOSA-N 1 0 360.458 2.748 20 5 FFBDRO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])cc1N1CCOC1=O)c1ccco1 ZINC000266151899 510436299 /nfs/dbraw/zinc/43/62/99/510436299.db2.gz KSISSMYZINJNKQ-OAHLLOKOSA-N 1 0 360.370 2.859 20 5 FFBDRO COC[C@H]([NH2+]CCOc1ccc(OC)cc1[N+](=O)[O-])c1ccc(C)o1 ZINC000184678861 510456114 /nfs/dbraw/zinc/45/61/14/510456114.db2.gz GRYRQPFXHTYINE-AWEZNQCLSA-N 1 0 350.371 2.861 20 5 FFBDRO Nc1c(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000178164504 510466760 /nfs/dbraw/zinc/46/67/60/510466760.db2.gz MCBWLWSWMAIHFV-OAHLLOKOSA-N 1 0 354.410 2.571 20 5 FFBDRO Cn1cccc1[C@H]1CCCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000175116237 510490019 /nfs/dbraw/zinc/49/00/19/510490019.db2.gz DDDWLHPUNDTHLB-QFBILLFUSA-N 1 0 359.426 2.900 20 5 FFBDRO CC(C)CC[NH+]1CCC(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000175170455 510516075 /nfs/dbraw/zinc/51/60/75/510516075.db2.gz KDFBHLQQJOYEGC-UHFFFAOYSA-N 1 0 366.437 2.804 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1CN(CCO)Cc1ccccc1OC ZINC000175172607 510517695 /nfs/dbraw/zinc/51/76/95/510517695.db2.gz XABDWPFOBKACEZ-UHFFFAOYSA-N 1 0 360.410 2.997 20 5 FFBDRO COc1ccc([C@@H]2CC[N@H+](C[C@H](O)COc3ccccc3[N+](=O)[O-])C2)cc1 ZINC000181650178 510521982 /nfs/dbraw/zinc/52/19/82/510521982.db2.gz FXGFONYBAOFZBN-SJORKVTESA-N 1 0 372.421 2.833 20 5 FFBDRO COc1cc(C[NH2+]C[C@H](C)OC)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000191149233 510525021 /nfs/dbraw/zinc/52/50/21/510525021.db2.gz MUKUAYGIVHHASK-VIFPVBQESA-N 1 0 352.309 2.669 20 5 FFBDRO COc1ccccc1[C@@H](CC(C)C)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000181717190 510555577 /nfs/dbraw/zinc/55/55/77/510555577.db2.gz SLKBLNVUMUTLBN-NVXWUHKLSA-N 1 0 362.430 2.538 20 5 FFBDRO O=C(NCC1([NH+]2CCCCC2)CCCCC1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000188061755 510573447 /nfs/dbraw/zinc/57/34/47/510573447.db2.gz PVHUXEBKFIZONU-UHFFFAOYSA-N 1 0 362.430 2.614 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N3CC[C@H](C[NH+](C)C)C3)cc2[N+](=O)[O-])CC1 ZINC000172210249 510601304 /nfs/dbraw/zinc/60/13/04/510601304.db2.gz VOFHERLBDIWWGX-MRXNPFEDSA-N 1 0 374.485 2.855 20 5 FFBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000191324228 510605782 /nfs/dbraw/zinc/60/57/82/510605782.db2.gz YGGRKCXRUMTWEH-AWEZNQCLSA-N 1 0 352.435 2.690 20 5 FFBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCC[C@@H]([NH3+])C3)cc2[N+](=O)[O-])C1 ZINC000191374509 510629515 /nfs/dbraw/zinc/62/95/15/510629515.db2.gz VXAZRCVZYVQTJJ-IJEWVQPXSA-N 1 0 360.458 2.640 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@H]2c2ccc(Cl)cc2)c1 ZINC000246730074 510640502 /nfs/dbraw/zinc/64/05/02/510640502.db2.gz MVZOVJDKHONBLT-CVEARBPZSA-N 1 0 350.806 2.643 20 5 FFBDRO Cc1ccc([C@H](C)NC(=O)[C@@H]([NH2+]C2CCOCC2)C(C)C)cc1[N+](=O)[O-] ZINC000175458113 510654853 /nfs/dbraw/zinc/65/48/53/510654853.db2.gz MJGZPDPWYPVFNP-KSSFIOAISA-N 1 0 363.458 2.874 20 5 FFBDRO CC(=O)Nc1cccc2c1CC[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000178577394 510671305 /nfs/dbraw/zinc/67/13/05/510671305.db2.gz IBRLIRPYGIHSIH-IBGZPJMESA-N 1 0 355.394 2.645 20 5 FFBDRO C[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1cccc(F)c1F ZINC000181976527 510688034 /nfs/dbraw/zinc/68/80/34/510688034.db2.gz VXCOLQSKLAWEMV-AAEUAGOBSA-N 1 0 352.337 2.964 20 5 FFBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3C[C@H](C)[NH2+][C@@H](C)C3)cc2[N+](=O)[O-])C1 ZINC000246888790 510728467 /nfs/dbraw/zinc/72/84/67/510728467.db2.gz ISYPGOBNPMVVTG-FZKCQIBNSA-N 1 0 374.485 2.900 20 5 FFBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCC[C@@H](C)[NH3+])cc1 ZINC000178699665 510728915 /nfs/dbraw/zinc/72/89/15/510728915.db2.gz VASGAPIKPSMDQT-GFCCVEGCSA-N 1 0 359.382 2.863 20 5 FFBDRO COc1ccc([C@H](C)[NH2+]CCn2ccc([N+](=O)[O-])n2)cc1Br ZINC000182060728 510735204 /nfs/dbraw/zinc/73/52/04/510735204.db2.gz ZBYRKYGKXVDAAN-JTQLQIEISA-N 1 0 369.219 2.913 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CCC([C@H](C)[NH3+])CC2)cc1SC ZINC000178815128 510786792 /nfs/dbraw/zinc/78/67/92/510786792.db2.gz OOURNTHPWWQBKL-JTQLQIEISA-N 1 0 353.444 2.525 20 5 FFBDRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000247009528 510796526 /nfs/dbraw/zinc/79/65/26/510796526.db2.gz RFDAARZQRIDTCS-SJORKVTESA-N 1 0 372.469 2.894 20 5 FFBDRO Cc1csc(C(C)(C)[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])n1 ZINC000182177365 510797624 /nfs/dbraw/zinc/79/76/24/510797624.db2.gz BAAXTYPBDAFRJY-LBPRGKRZSA-N 1 0 351.428 2.624 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC[N@@H+](C2CCCC2)CC1 ZINC000172581214 510804240 /nfs/dbraw/zinc/80/42/40/510804240.db2.gz MMWFLOSZLZASKW-UHFFFAOYSA-N 1 0 360.458 2.792 20 5 FFBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NCC[NH+]1CCCCC1 ZINC000182200465 510810420 /nfs/dbraw/zinc/81/04/20/510810420.db2.gz MDJMFVKFMACRQW-UHFFFAOYSA-N 1 0 357.863 2.942 20 5 FFBDRO CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000182205312 510812974 /nfs/dbraw/zinc/81/29/74/510812974.db2.gz CMWVWFOPRVAKOI-SUMWQHHRSA-N 1 0 373.409 2.644 20 5 FFBDRO CCOc1ccccc1C[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182216740 510818345 /nfs/dbraw/zinc/81/83/45/510818345.db2.gz QJYGMLPKHCXFOV-MRXNPFEDSA-N 1 0 360.410 2.865 20 5 FFBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000247113483 510837493 /nfs/dbraw/zinc/83/74/93/510837493.db2.gz LRPCHFGOGCROIL-YJBOKZPZSA-N 1 0 360.458 2.730 20 5 FFBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000247167346 510848077 /nfs/dbraw/zinc/84/80/77/510848077.db2.gz AQQSGDRHZLQPAI-ZWNOBZJWSA-N 1 0 370.247 2.770 20 5 FFBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000182310663 510848561 /nfs/dbraw/zinc/84/85/61/510848561.db2.gz TXYPQWZVIARCMB-NSHDSACASA-N 1 0 369.874 2.941 20 5 FFBDRO C[N@@H+]1CCC[C@H]2CN(CC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CC[C@H]21 ZINC000247333567 510857417 /nfs/dbraw/zinc/85/74/17/510857417.db2.gz XBOHXWFQSDKPJU-BLLLJJGKSA-N 1 0 366.849 2.603 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)CSc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000247425374 510860621 /nfs/dbraw/zinc/86/06/21/510860621.db2.gz OHJAWPTUODUMSX-BBRMVZONSA-N 1 0 351.472 2.876 20 5 FFBDRO CC[C@H](NC(=O)Nc1ccnn1CC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000297334109 510907222 /nfs/dbraw/zinc/90/72/22/510907222.db2.gz JDUIQJMRBXOSCM-HNNXBMFYSA-N 1 0 360.418 2.626 20 5 FFBDRO [NH3+]C[C@@H]1CCCN(C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000297446343 510948162 /nfs/dbraw/zinc/94/81/62/510948162.db2.gz VMVZNXCJUYKCOM-NSHDSACASA-N 1 0 374.363 2.613 20 5 FFBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000285544408 510948819 /nfs/dbraw/zinc/94/88/19/510948819.db2.gz LVDQHTCNXILCFN-CZUORRHYSA-N 1 0 357.414 2.703 20 5 FFBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000270736788 510967703 /nfs/dbraw/zinc/96/77/03/510967703.db2.gz BPTONHHXDUEKQN-HNNXBMFYSA-N 1 0 362.474 2.976 20 5 FFBDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])C2)C1 ZINC000294231690 510998201 /nfs/dbraw/zinc/99/82/01/510998201.db2.gz RNVRZAKNASVTJR-QGZVFWFLSA-N 1 0 369.824 2.874 20 5 FFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccnn1CC[NH+](C)C ZINC000297594642 511002154 /nfs/dbraw/zinc/00/21/54/511002154.db2.gz ZKBKHJRPLOMADT-UHFFFAOYSA-N 1 0 374.445 2.795 20 5 FFBDRO C[C@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@@H](C2CC2)O1 ZINC000279366761 511058255 /nfs/dbraw/zinc/05/82/55/511058255.db2.gz RLZXPHZVDIUSFW-ZBEGNZNMSA-N 1 0 351.378 2.562 20 5 FFBDRO COCCCn1nccc1C[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000282785890 511111634 /nfs/dbraw/zinc/11/16/34/511111634.db2.gz YCGOGSNWSWLYDT-UHFFFAOYSA-N 1 0 352.822 2.814 20 5 FFBDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000294606513 511118500 /nfs/dbraw/zinc/11/85/00/511118500.db2.gz VIIYIAKPYHDXJH-TZMCWYRMSA-N 1 0 357.332 2.970 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCC[C@H]1C[C@H](C)O ZINC000279726324 511191247 /nfs/dbraw/zinc/19/12/47/511191247.db2.gz JEINTXLOAHJMIE-KBPBESRZSA-N 1 0 365.430 2.557 20 5 FFBDRO CS(=O)(=O)C1(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CCC1 ZINC000279767322 511207859 /nfs/dbraw/zinc/20/78/59/511207859.db2.gz JWXBAEMNUVLJDU-GDBMZVCRSA-N 1 0 366.483 2.863 20 5 FFBDRO CC(C)C[C@H](CNC(=O)c1nn(C)cc1[N+](=O)[O-])[NH2+][C@H](C)c1ccccc1 ZINC000271459255 511211601 /nfs/dbraw/zinc/21/16/01/511211601.db2.gz XANCWKMYIRFLKY-GDBMZVCRSA-N 1 0 373.457 2.824 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](CNC(=O)C(F)(F)F)C1 ZINC000291575569 511253250 /nfs/dbraw/zinc/25/32/50/511253250.db2.gz OHFVZUKPTRJHKQ-GFCCVEGCSA-N 1 0 359.348 2.794 20 5 FFBDRO C[C@H](NC(=O)CC1([NH+]2CCOCC2)CCCC1)c1ccccc1[N+](=O)[O-] ZINC000271706447 511294985 /nfs/dbraw/zinc/29/49/85/511294985.db2.gz MPXCIAONRYNVLX-HNNXBMFYSA-N 1 0 361.442 2.807 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C1CCC(CS(C)(=O)=O)CC1 ZINC000295149400 511299093 /nfs/dbraw/zinc/29/90/93/511299093.db2.gz QXZBRENHBSXACS-UHFFFAOYSA-N 1 0 370.471 2.687 20 5 FFBDRO C[NH+]1CCC(C)(CNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000280032375 511311390 /nfs/dbraw/zinc/31/13/90/511311390.db2.gz YICBZXVQWWFYRB-UHFFFAOYSA-N 1 0 357.813 2.778 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)c1 ZINC000291726411 511312637 /nfs/dbraw/zinc/31/26/37/511312637.db2.gz HXIJLSLYPDYSSF-KDOFPFPSSA-N 1 0 369.421 2.996 20 5 FFBDRO O=[N+]([O-])c1cnc(N2CCC(CC[NH+]3CCOCC3)CC2)c(Cl)c1 ZINC000363061411 511328862 /nfs/dbraw/zinc/32/88/62/511328862.db2.gz OHGVOOKHIISXRJ-UHFFFAOYSA-N 1 0 354.838 2.582 20 5 FFBDRO C[N@@H+]1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C2(CCCCC2)C1 ZINC000283465905 511377374 /nfs/dbraw/zinc/37/73/74/511377374.db2.gz ZDAAWUDSBZWFIZ-UHFFFAOYSA-N 1 0 360.458 2.874 20 5 FFBDRO C[C@H]1CN(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CC[N@@H+](C2CCC2)C1 ZINC000295454960 511411820 /nfs/dbraw/zinc/41/18/20/511411820.db2.gz PKEFJTNHJSTISB-OAHLLOKOSA-N 1 0 373.453 2.891 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NCc2ccccc2C[NH+](C)C)c1 ZINC000283560024 511414659 /nfs/dbraw/zinc/41/46/59/511414659.db2.gz UUAFERNQZVHIFN-UHFFFAOYSA-N 1 0 357.410 2.985 20 5 FFBDRO COc1ccc(CNC(=O)NC2CC[NH+](C(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000298859659 511433541 /nfs/dbraw/zinc/43/35/41/511433541.db2.gz JMFZVRNUAVVRNU-UHFFFAOYSA-N 1 0 364.446 2.666 20 5 FFBDRO C[NH+]1CCC2(CC1)C[C@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)c1ccccc1O2 ZINC000298953370 511463095 /nfs/dbraw/zinc/46/30/95/511463095.db2.gz UXYKJVXRLSNIPO-HNNXBMFYSA-N 1 0 370.409 2.641 20 5 FFBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000272245942 511479025 /nfs/dbraw/zinc/47/90/25/511479025.db2.gz YHWHTTZTYLQTTB-GFCCVEGCSA-N 1 0 353.850 2.979 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000272260122 511483844 /nfs/dbraw/zinc/48/38/44/511483844.db2.gz UYIVZEXPWSBZCG-DOMZBBRYSA-N 1 0 355.385 2.875 20 5 FFBDRO C[C@H]1C[C@H](N(C)Cc2c([N+](=O)[O-])ncn2C)CC[N@@H+]1Cc1ccccc1 ZINC000363355217 511498944 /nfs/dbraw/zinc/49/89/44/511498944.db2.gz IFPYLARFENUJIE-DOTOQJQBSA-N 1 0 357.458 2.813 20 5 FFBDRO O=C1OCCN1c1cc([N+](=O)[O-])ccc1NC1CC[NH+](C2CCC2)CC1 ZINC000295854467 511537429 /nfs/dbraw/zinc/53/74/29/511537429.db2.gz BMKPLTKXXDAUIB-UHFFFAOYSA-N 1 0 360.414 2.980 20 5 FFBDRO C[C@@H]1C[C@@H](c2cccnc2)[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000365588062 511546037 /nfs/dbraw/zinc/54/60/37/511546037.db2.gz UENKQNZMYJPZRG-KYJSFNMBSA-N 1 0 357.410 2.813 20 5 FFBDRO C[C@H]([NH2+]CCc1cccc(C(=O)N(C)C)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284093329 511601799 /nfs/dbraw/zinc/60/17/99/511601799.db2.gz MJTBNVFKIPMOQJ-ZDUSSCGKSA-N 1 0 356.426 2.772 20 5 FFBDRO CS(=O)(=O)c1cc([N+](=O)[O-])c(NCCCCC[NH+]2CCCC2)s1 ZINC000292765920 511711628 /nfs/dbraw/zinc/71/16/28/511711628.db2.gz KRUHAPMXSFUCBN-UHFFFAOYSA-N 1 0 361.489 2.738 20 5 FFBDRO O=C(C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000296435738 511742340 /nfs/dbraw/zinc/74/23/40/511742340.db2.gz WIZYIDBOEZJFPW-HFBAOOFYSA-N 1 0 365.817 2.734 20 5 FFBDRO Cc1cc(N2CCC[C@H](CS(C)(=O)=O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000292879171 511755818 /nfs/dbraw/zinc/75/58/18/511755818.db2.gz YPRBFZWOGLVUCU-ZDUSSCGKSA-N 1 0 363.439 2.712 20 5 FFBDRO C[NH2+]CCC1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000316630678 511802946 /nfs/dbraw/zinc/80/29/46/511802946.db2.gz MWOZNZNWLRYXLM-UHFFFAOYSA-N 1 0 370.247 2.819 20 5 FFBDRO CN(CCC[NH+]1CCCC1)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000281348083 511813075 /nfs/dbraw/zinc/81/30/75/511813075.db2.gz MYKRTSYTVUUVPP-UHFFFAOYSA-N 1 0 354.838 2.604 20 5 FFBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H](O)COc2ccccc2Cl)cc1 ZINC000324775334 511839858 /nfs/dbraw/zinc/83/98/58/511839858.db2.gz FPHNVCRCJHPOCB-OAHLLOKOSA-N 1 0 350.802 2.820 20 5 FFBDRO C[C@@H]1CN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC[N@@H+](C2CC2)C1 ZINC000296715266 511866869 /nfs/dbraw/zinc/86/68/69/511866869.db2.gz MKEOIGBTRNTUCP-CYBMUJFWSA-N 1 0 357.414 2.561 20 5 FFBDRO COc1cc(NC[C@H](C(C)C)[NH+]2CCN(C)CC2)c([N+](=O)[O-])cc1C ZINC000327690745 511881241 /nfs/dbraw/zinc/88/12/41/511881241.db2.gz JIODGCVBNTXDEI-QGZVFWFLSA-N 1 0 350.463 2.596 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]2)cc1C ZINC000327781403 511881405 /nfs/dbraw/zinc/88/14/05/511881405.db2.gz ZGXULCNOGYPALD-GJZGRUSLSA-N 1 0 367.471 2.507 20 5 FFBDRO COc1ccsc1[C@H](C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000274592552 511883529 /nfs/dbraw/zinc/88/35/29/511883529.db2.gz NNSQMFPXHFGZMA-NSHDSACASA-N 1 0 370.452 2.789 20 5 FFBDRO COCCOCCOCCC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000274665339 511903674 /nfs/dbraw/zinc/90/36/74/511903674.db2.gz OBNRPQYDJGGCTL-SFHVURJKSA-N 1 0 366.458 2.575 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H](c2ccc(F)cc2)[C@H]([NH3+])C1 ZINC000296827170 511913302 /nfs/dbraw/zinc/91/33/02/511913302.db2.gz AYRGDRCUXISQJL-HZPDHXFCSA-N 1 0 357.385 2.999 20 5 FFBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293353974 511935001 /nfs/dbraw/zinc/93/50/01/511935001.db2.gz KXMZRIYPIUGQTA-XPTSAGLGSA-N 1 0 357.332 2.826 20 5 FFBDRO COc1cc(-c2nc(-c3ccn4c[nH+]cc4c3)no2)cc([N+](=O)[O-])c1OC ZINC000351054419 511940472 /nfs/dbraw/zinc/94/04/72/511940472.db2.gz XVPCCUUVHJBMNM-UHFFFAOYSA-N 1 0 367.321 2.977 20 5 FFBDRO Cc1cc(N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000364112862 511965387 /nfs/dbraw/zinc/96/53/87/511965387.db2.gz WTSKJQJEXWQKQF-INIZCTEOSA-N 1 0 369.469 2.668 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N3CC[C@@H]4[NH2+]CC[C@H]4C3)cc2[N+](=O)[O-])CC1 ZINC000293592995 512021056 /nfs/dbraw/zinc/02/10/56/512021056.db2.gz ZGMXHJBRPIFWJN-IRXDYDNUSA-N 1 0 372.469 2.655 20 5 FFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000293697116 512055325 /nfs/dbraw/zinc/05/53/25/512055325.db2.gz MYQQGYANNGFEEG-CQSZACIVSA-N 1 0 361.442 2.940 20 5 FFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000364404780 512106884 /nfs/dbraw/zinc/10/68/84/512106884.db2.gz PCFCPYZMRVSISL-RHSMWYFYSA-N 1 0 354.410 2.630 20 5 FFBDRO CC(C)(C[NH+]1CCCC1)NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000411084440 512464148 /nfs/dbraw/zinc/46/41/48/512464148.db2.gz IBZVJXLVMAMSHO-UHFFFAOYSA-N 1 0 370.247 2.962 20 5 FFBDRO CCOc1cc(C(=O)NC(C)(C)C[NH+]2CCCC2)c([N+](=O)[O-])cc1OC ZINC000411090036 512465373 /nfs/dbraw/zinc/46/53/73/512465373.db2.gz XTCJLKAXERLUKA-UHFFFAOYSA-N 1 0 365.430 2.606 20 5 FFBDRO C[C@@H]1CN(c2cc(Cl)ccc2[N+](=O)[O-])CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000367433950 512496434 /nfs/dbraw/zinc/49/64/34/512496434.db2.gz BZNBPLFLHGEUIS-HIFRSBDPSA-N 1 0 352.866 2.710 20 5 FFBDRO O=C1NCCN1[C@H]1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000367475452 512520124 /nfs/dbraw/zinc/52/01/24/512520124.db2.gz YRPDFPBQXWQPRT-INIZCTEOSA-N 1 0 370.409 2.844 20 5 FFBDRO C[C@@H]1C[C@@]2(CCO1)C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C[C@H](C)O2 ZINC000374015518 512623813 /nfs/dbraw/zinc/62/38/13/512623813.db2.gz VZJLRBJVHHBXER-VKJFTORMSA-N 1 0 350.415 2.632 20 5 FFBDRO CC[C@H]([NH2+]CCC(=O)Nc1ccc(C(N)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000411476762 512654497 /nfs/dbraw/zinc/65/44/97/512654497.db2.gz QHCSJBVBLMNZJO-KRWDZBQOSA-N 1 0 370.409 2.763 20 5 FFBDRO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCC[N@@H+]2CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000374169848 512690293 /nfs/dbraw/zinc/69/02/93/512690293.db2.gz GURCWZVDKSGFST-KKBFJZEXSA-N 1 0 361.442 2.795 20 5 FFBDRO O=C(CC[NH2+][C@@H]1CCCC[C@H]1n1cccn1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411566543 512693125 /nfs/dbraw/zinc/69/31/25/512693125.db2.gz ZKFOPCWLBLWXAC-IAGOWNOFSA-N 1 0 357.414 2.893 20 5 FFBDRO O=C(CC[NH2+][C@H]1CCCC[C@H]1n1cccn1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411566540 512693359 /nfs/dbraw/zinc/69/33/59/512693359.db2.gz ZKFOPCWLBLWXAC-DLBZAZTESA-N 1 0 357.414 2.893 20 5 FFBDRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000372099874 512716424 /nfs/dbraw/zinc/71/64/24/512716424.db2.gz ZGCFZBYXBHPQOV-MQVJKMGUSA-N 1 0 358.442 2.679 20 5 FFBDRO C[NH+]1CCC2(CCCN2C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1 ZINC000374301104 512753908 /nfs/dbraw/zinc/75/39/08/512753908.db2.gz HUFNLYVRIMEMNB-UHFFFAOYSA-N 1 0 358.442 2.870 20 5 FFBDRO C[C@H]1CN(c2ccc([N+](=O)[O-])cc2Cl)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000374308240 512758146 /nfs/dbraw/zinc/75/81/46/512758146.db2.gz FPYAXOYVAINOPD-XJKSGUPXSA-N 1 0 352.866 2.710 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000374347078 512780935 /nfs/dbraw/zinc/78/09/35/512780935.db2.gz ASOXSQFJOAUYAG-MRXNPFEDSA-N 1 0 361.442 2.980 20 5 FFBDRO CN1CC[C@H]([NH2+]CCn2ccc([N+](=O)[O-])n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000368059916 512785048 /nfs/dbraw/zinc/78/50/48/512785048.db2.gz YYKMZHADEITNNA-GOEBONIOSA-N 1 0 367.812 2.619 20 5 FFBDRO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C1CCN(c2cnccn2)CC1 ZINC000378558632 512822636 /nfs/dbraw/zinc/82/26/36/512822636.db2.gz IQOLDJJONAGJQR-GQCTYLIASA-N 1 0 353.426 2.999 20 5 FFBDRO CNc1ccc(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000379933348 512871981 /nfs/dbraw/zinc/87/19/81/512871981.db2.gz ADKQIWUKUYHLPS-INIZCTEOSA-N 1 0 368.437 2.888 20 5 FFBDRO C[C@@H]1[C@H](NC(=O)c2cccc([N+](=O)[O-])c2N)CC[N@@H+]1Cc1ccccc1 ZINC000382009667 512876362 /nfs/dbraw/zinc/87/63/62/512876362.db2.gz MTXQVNILKBBGJS-CZUORRHYSA-N 1 0 354.410 2.570 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C)[C@@](C)(OC)C1CC1 ZINC000411967645 512893614 /nfs/dbraw/zinc/89/36/14/512893614.db2.gz ILHFYULWIAYNGF-KPZWWZAWSA-N 1 0 365.430 2.725 20 5 FFBDRO COC(=O)[C@]1(C)CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000412064324 512940016 /nfs/dbraw/zinc/94/00/16/512940016.db2.gz JVCIFIPEDBOPOU-GOSISDBHSA-N 1 0 363.414 2.507 20 5 FFBDRO COC(=O)[C@@]1(C)CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000412067143 512941918 /nfs/dbraw/zinc/94/19/18/512941918.db2.gz LXBJYEYLEMHALZ-SFHVURJKSA-N 1 0 363.414 2.507 20 5 FFBDRO C[C@H]1CCCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)[C@H]1CC[NH3+] ZINC000404298736 512968503 /nfs/dbraw/zinc/96/85/03/512968503.db2.gz YMQANROSYOPJAR-HZMBPMFUSA-N 1 0 370.247 2.947 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)c1F ZINC000412122221 512969562 /nfs/dbraw/zinc/96/95/62/512969562.db2.gz DOXSPADZKDBIPS-OAHLLOKOSA-N 1 0 369.437 2.768 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N3CCC[N@H+](C)CC3)cc2[N+](=O)[O-])C1 ZINC000407997439 512981266 /nfs/dbraw/zinc/98/12/66/512981266.db2.gz VXSLGMSXHCWDEI-OAHLLOKOSA-N 1 0 360.458 2.609 20 5 FFBDRO Cn1nccc1C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000374778528 512998618 /nfs/dbraw/zinc/99/86/18/512998618.db2.gz JYMWLWAAWLTTOD-IHBAFOEMSA-N 1 0 356.426 2.772 20 5 FFBDRO C[NH+](C)CCN(Cc1ccccn1)C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412216262 513000040 /nfs/dbraw/zinc/00/00/40/513000040.db2.gz WQXKLFHDELZTQV-RBUKOAKNSA-N 1 0 368.437 2.684 20 5 FFBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCN(c3ccccc3C(N)=O)C2)cc1[N+](=O)[O-] ZINC000370636640 513026193 /nfs/dbraw/zinc/02/61/93/513026193.db2.gz SAGGRCATVZYJQD-GDBMZVCRSA-N 1 0 368.437 2.932 20 5 FFBDRO CC(C)[C@@H](CC(F)(F)F)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000445882239 513137669 /nfs/dbraw/zinc/13/76/69/513137669.db2.gz YXYDGPIWIZIASG-VXGBXAGGSA-N 1 0 350.337 2.901 20 5 FFBDRO CC(C)[C@@H](CC(F)(F)F)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000445888883 513138758 /nfs/dbraw/zinc/13/87/58/513138758.db2.gz XQILDDVKGPIPCF-GXTWGEPZSA-N 1 0 350.337 2.901 20 5 FFBDRO CC(C)c1n[nH]c(C(=O)NCCCCC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000433761130 513143745 /nfs/dbraw/zinc/14/37/45/513143745.db2.gz XTOCUZKHJTYUGF-UHFFFAOYSA-N 1 0 351.451 2.827 20 5 FFBDRO C[C@@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000428959518 513232981 /nfs/dbraw/zinc/23/29/81/513232981.db2.gz YDTSWUVZSIQEKI-GRYCIOLGSA-N 1 0 355.822 2.520 20 5 FFBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000429001791 513247718 /nfs/dbraw/zinc/24/77/18/513247718.db2.gz WZHFBRAJVKXBPV-BASYENTBSA-N 1 0 360.458 2.584 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3CCc4nnnn4CC3)s2)cc1 ZINC000421394580 513248155 /nfs/dbraw/zinc/24/81/55/513248155.db2.gz GTEDXYPRWCMQQM-CYBMUJFWSA-N 1 0 370.438 2.805 20 5 FFBDRO Cn1cc(C[N@@H+]2CCC[C@H](CCO)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000421403030 513249813 /nfs/dbraw/zinc/24/98/13/513249813.db2.gz WTQGWEVUZOZEQZ-HNNXBMFYSA-N 1 0 358.442 2.980 20 5 FFBDRO CO[C@@H](Cc1ccccc1)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000450561485 513252515 /nfs/dbraw/zinc/25/25/15/513252515.db2.gz FWHODNXLEFAXHT-WMZOPIPTSA-N 1 0 356.426 2.734 20 5 FFBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@@H](C)C1 ZINC000429017073 513255117 /nfs/dbraw/zinc/25/51/17/513255117.db2.gz DSFCSUUIWBDWTF-LBTNJELSSA-N 1 0 361.442 2.623 20 5 FFBDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000434179933 513256645 /nfs/dbraw/zinc/25/66/45/513256645.db2.gz ACJPQMYKJDAQLI-ZDUSSCGKSA-N 1 0 351.451 2.826 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N(CC[NH3+])CCc1ccccc1 ZINC000415509749 513302418 /nfs/dbraw/zinc/30/24/18/513302418.db2.gz XFAIXYKHZLWMJP-UHFFFAOYSA-N 1 0 358.398 2.639 20 5 FFBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])NCc1ccc2c(c1)C[NH2+]C2 ZINC000417980534 513314795 /nfs/dbraw/zinc/31/47/95/513314795.db2.gz BFQYPGFYLWHMPG-UHFFFAOYSA-N 1 0 374.828 2.893 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCc2ccc([C@H](C)[NH3+])cc2)cc1C ZINC000440427913 513320155 /nfs/dbraw/zinc/32/01/55/513320155.db2.gz OTSVLUDWBDREAS-ZDUSSCGKSA-N 1 0 363.439 2.710 20 5 FFBDRO CCOc1ccc(OCC[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000440497876 513335512 /nfs/dbraw/zinc/33/55/12/513335512.db2.gz WHLOURURHVPGEX-HNNXBMFYSA-N 1 0 372.425 2.954 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N3C[C@H](C)[NH2+][C@@H](C)C3)cc2[N+](=O)[O-])C1 ZINC000429382979 513359888 /nfs/dbraw/zinc/35/98/88/513359888.db2.gz DEQGOTHXLVXMLQ-ILXRZTDVSA-N 1 0 360.458 2.654 20 5 FFBDRO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000418088070 513368134 /nfs/dbraw/zinc/36/81/34/513368134.db2.gz JDSIFDVYGILMJC-HNNXBMFYSA-N 1 0 372.347 2.509 20 5 FFBDRO [NH3+]CC[C@H]1CCCN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000418096502 513369870 /nfs/dbraw/zinc/36/98/70/513369870.db2.gz XINJCYLSKLDZCA-LLVKDONJSA-N 1 0 374.363 2.884 20 5 FFBDRO Cc1c(NC(=O)N(C)[C@@H](C[NH3+])C2CC2)cc(Br)cc1[N+](=O)[O-] ZINC000415666372 513370151 /nfs/dbraw/zinc/37/01/51/513370151.db2.gz WSEYBLICENYIGJ-ZDUSSCGKSA-N 1 0 371.235 2.867 20 5 FFBDRO C[C@H]1CCCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)[C@H]1C[NH3+] ZINC000415700559 513388447 /nfs/dbraw/zinc/38/84/47/513388447.db2.gz MSSGMSJWASELQC-ZANVPECISA-N 1 0 371.235 2.948 20 5 FFBDRO CC(C)C[C@@H](C[NH3+])NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415708598 513391879 /nfs/dbraw/zinc/39/18/79/513391879.db2.gz XJEKVRAYIPDDNS-NSHDSACASA-N 1 0 359.224 2.852 20 5 FFBDRO CC(C)[N@@H+]1CCC[C@H](NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C1 ZINC000450929606 513408749 /nfs/dbraw/zinc/40/87/49/513408749.db2.gz JTPCYRBSABCEMH-AWEZNQCLSA-N 1 0 357.414 2.588 20 5 FFBDRO C[C@H](c1ccncc1)[NH+]1CCC(Nc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000425242194 513471017 /nfs/dbraw/zinc/47/10/17/513471017.db2.gz RLDUYKHPONCMKW-CYBMUJFWSA-N 1 0 369.425 2.726 20 5 FFBDRO Cc1c(Br)c(N2CCC[C@H]3C[N@@H+](C)C[C@H]32)ncc1[N+](=O)[O-] ZINC000425280648 513489801 /nfs/dbraw/zinc/48/98/01/513489801.db2.gz HMTNGMDXXQDCKH-CMPLNLGQSA-N 1 0 355.236 2.591 20 5 FFBDRO CN(C)C(=O)c1cccc(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000447525655 513497412 /nfs/dbraw/zinc/49/74/12/513497412.db2.gz APYAOYUBEWODKV-IRXDYDNUSA-N 1 0 371.441 2.767 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]Cc2nccn2CC(F)(F)F)n1 ZINC000447531442 513498847 /nfs/dbraw/zinc/49/88/47/513498847.db2.gz RDCHKONOKCUTQC-VXGBXAGGSA-N 1 0 372.351 2.824 20 5 FFBDRO CC(C)(NC(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2)c1ccc([N+](=O)[O-])cc1 ZINC000415957681 513500096 /nfs/dbraw/zinc/50/00/96/513500096.db2.gz KLHIWELXNMYXDN-CQSZACIVSA-N 1 0 369.425 2.863 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCc2cnc(C3CC3)nc2)n1 ZINC000447582958 513513979 /nfs/dbraw/zinc/51/39/79/513513979.db2.gz ALFBTIKSVHLMJA-HZPDHXFCSA-N 1 0 356.430 2.775 20 5 FFBDRO Cc1ccc([C@@H]2CCC[C@@H]2[N@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000441358268 513551229 /nfs/dbraw/zinc/55/12/29/513551229.db2.gz VBPIHOAOPHWRNW-QYZOEREBSA-N 1 0 358.442 2.729 20 5 FFBDRO CS[C@@H]1CN(Cc2ccc(Br)cc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000425426816 513560568 /nfs/dbraw/zinc/56/05/68/513560568.db2.gz WUVULMZUNHEEQW-UONOGXRCSA-N 1 0 374.304 2.835 20 5 FFBDRO COc1cc(CN2CC[C@H]3CC[C@@H](C2)[NH2+]3)c([N+](=O)[O-])cc1OCC(F)F ZINC000435374254 513569231 /nfs/dbraw/zinc/56/92/31/513569231.db2.gz POQGESYFBUAUCH-OLZOCXBDSA-N 1 0 371.384 2.574 20 5 FFBDRO C[NH2+]C[C@@H]1CCCN(Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C1 ZINC000435396261 513573405 /nfs/dbraw/zinc/57/34/05/513573405.db2.gz VRMBCLNMSYPHOW-LBPRGKRZSA-N 1 0 373.400 2.679 20 5 FFBDRO C[C@H](Nc1cc(CN2CCOCC2)ccc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000447813298 513578633 /nfs/dbraw/zinc/57/86/33/513578633.db2.gz VGHQLWNZZOHFTI-HNNXBMFYSA-N 1 0 364.490 2.815 20 5 FFBDRO Cc1csc(Sc2ccc(C(=O)NC[C@H](C)C[NH3+])cc2[N+](=O)[O-])n1 ZINC000441604481 513599614 /nfs/dbraw/zinc/59/96/14/513599614.db2.gz NOGXXLALMBQSQH-SECBINFHSA-N 1 0 366.468 2.836 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C1CCOCC1)C1(CO)CCC1 ZINC000425536680 513626152 /nfs/dbraw/zinc/62/61/52/513626152.db2.gz HGFMKAFEAQBQNS-SFHVURJKSA-N 1 0 364.442 2.651 20 5 FFBDRO Cc1ncsc1CN(C[C@@H]1CC[NH2+]C1)C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000435602204 513632573 /nfs/dbraw/zinc/63/25/73/513632573.db2.gz UBYGTFZSNKVBJF-CQSZACIVSA-N 1 0 374.466 2.920 20 5 FFBDRO O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000418779769 513655285 /nfs/dbraw/zinc/65/52/85/513655285.db2.gz BINGRNIIZSATSI-BZUAXINKSA-N 1 0 358.442 2.657 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C[C@H]1C ZINC000413491318 513681592 /nfs/dbraw/zinc/68/15/92/513681592.db2.gz BBIUMJXWYNIRIW-OLZOCXBDSA-N 1 0 367.421 2.616 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C[C@H]1C ZINC000413491317 513682146 /nfs/dbraw/zinc/68/21/46/513682146.db2.gz BBIUMJXWYNIRIW-CHWSQXEVSA-N 1 0 367.421 2.616 20 5 FFBDRO COc1ccc(OCC[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)c([N+](=O)[O-])c1 ZINC000451339696 513686015 /nfs/dbraw/zinc/68/60/15/513686015.db2.gz IWEKXYVQTYSJTD-NUJGCVRESA-N 1 0 364.442 2.998 20 5 FFBDRO O=C(CC[N@H+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O)Nc1ccc([N+](=O)[O-])cc1 ZINC000451341704 513688139 /nfs/dbraw/zinc/68/81/39/513688139.db2.gz LLBIFZGBWJZHNF-KURKYZTESA-N 1 0 361.442 2.939 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000451341206 513688791 /nfs/dbraw/zinc/68/87/91/513688791.db2.gz KTIBYXRDXVPOMO-KBAYOESNSA-N 1 0 361.442 2.857 20 5 FFBDRO COc1cc(CN2CCC[C@H](C)[C@H]2C[NH3+])c([N+](=O)[O-])cc1OC(F)F ZINC000430585478 513696515 /nfs/dbraw/zinc/69/65/15/513696515.db2.gz WVWUNGSRQPQLTA-GXFFZTMASA-N 1 0 359.373 2.764 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000451366212 513704189 /nfs/dbraw/zinc/70/41/89/513704189.db2.gz IAWOTBSXOAUDMQ-IZSNYMMISA-N 1 0 357.410 2.686 20 5 FFBDRO COc1cc(CN2CCCC[C@H]2[C@H](C)[NH3+])c([N+](=O)[O-])cc1OC(F)F ZINC000430636415 513707697 /nfs/dbraw/zinc/70/76/97/513707697.db2.gz YOPPWLCDQCRABN-JQWIXIFHSA-N 1 0 359.373 2.907 20 5 FFBDRO [NH3+][C@H](CC1CCCCC1)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000448550862 513780191 /nfs/dbraw/zinc/78/01/91/513780191.db2.gz ZSICYHWQJGODGX-MRXNPFEDSA-N 1 0 360.458 2.541 20 5 FFBDRO COc1ccc(NC(=O)CC[NH2+][C@@H]2[C@H](C)[C@H](OC)C2(C)C)c([N+](=O)[O-])c1 ZINC000451496660 513788548 /nfs/dbraw/zinc/78/85/48/513788548.db2.gz IYQDMJJTAUOXHI-JECHBYEQSA-N 1 0 365.430 2.581 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCSC[C@H]2C2CCC2)c1 ZINC000419363173 513789095 /nfs/dbraw/zinc/78/90/95/513789095.db2.gz OPPSIOBOAPLGPR-WBVHZDCISA-N 1 0 352.456 2.552 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1C[C@@](C)(OC)C1(C)C ZINC000451502351 513792843 /nfs/dbraw/zinc/79/28/43/513792843.db2.gz ZQZJBBHONYOWDV-CRAIPNDOSA-N 1 0 365.430 2.725 20 5 FFBDRO C[NH+]1CCC(CNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)CC1 ZINC000436343642 513833568 /nfs/dbraw/zinc/83/35/68/513833568.db2.gz NQYHUEIVYLSXHF-UHFFFAOYSA-N 1 0 367.424 2.892 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCSC[C@H]1C1CC1 ZINC000451656568 513893631 /nfs/dbraw/zinc/89/36/31/513893631.db2.gz UIHAPHHOYIBCBN-HNNXBMFYSA-N 1 0 365.455 2.759 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N(C)C(C)(C)C[NH+]2CCCC2)c1 ZINC000416665933 513896756 /nfs/dbraw/zinc/89/67/56/513896756.db2.gz VTBFFYDQUAYMKI-UHFFFAOYSA-N 1 0 369.487 2.707 20 5 FFBDRO C[C@@H](O)[C@@H](CO)[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000419812658 513938551 /nfs/dbraw/zinc/93/85/51/513938551.db2.gz NEKBBCIFKLXOBF-BXUZGUMPSA-N 1 0 366.801 2.872 20 5 FFBDRO CC[C@H]1C[N@H+](CC)CCN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000451730340 513943605 /nfs/dbraw/zinc/94/36/05/513943605.db2.gz OMXYQJBAPSJQKH-ZDUSSCGKSA-N 1 0 354.838 2.603 20 5 FFBDRO C[NH2+]C[C@H](C)CNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000422833778 513946354 /nfs/dbraw/zinc/94/63/54/513946354.db2.gz WOWCVCHQMMUJQC-JTQLQIEISA-N 1 0 359.376 2.545 20 5 FFBDRO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000422849790 513952621 /nfs/dbraw/zinc/95/26/21/513952621.db2.gz CPLYTEXOHNVGTJ-BZNIZROVSA-N 1 0 353.397 2.678 20 5 FFBDRO Cc1cc(OCC(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000431713669 513976888 /nfs/dbraw/zinc/97/68/88/513976888.db2.gz DLIFMEDKYCXDLN-GJZGRUSLSA-N 1 0 363.458 2.766 20 5 FFBDRO CO[C@@H]([C@@H](C)[NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000414181289 513999595 /nfs/dbraw/zinc/99/95/95/513999595.db2.gz LYDIPUINLURQIN-FTGAXOIBSA-N 1 0 355.822 2.978 20 5 FFBDRO CC[NH+](CC)CCCCNC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000448977008 514003587 /nfs/dbraw/zinc/00/35/87/514003587.db2.gz XALCCZKPVKSKFE-UHFFFAOYSA-N 1 0 359.430 2.837 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC(C)(C)CCC[NH+](C)C ZINC000451889480 514049301 /nfs/dbraw/zinc/04/93/01/514049301.db2.gz MKTNPCFDCTVXEU-UHFFFAOYSA-N 1 0 357.476 2.610 20 5 FFBDRO [NH3+]Cc1cn([C@@H]2CCCN(c3c(Cl)cc(Cl)cc3[N+](=O)[O-])C2)nn1 ZINC000420277246 514068906 /nfs/dbraw/zinc/06/89/06/514068906.db2.gz HQIFAWKMQMEGRM-LLVKDONJSA-N 1 0 371.228 2.793 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCCN(c2cc(C)nn2C)C1 ZINC000444005876 514098162 /nfs/dbraw/zinc/09/81/62/514098162.db2.gz UGDVELKDLLKIQI-INIZCTEOSA-N 1 0 373.457 2.794 20 5 FFBDRO CC[NH+](CC)CCNc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl ZINC000432124243 514100301 /nfs/dbraw/zinc/10/03/01/514100301.db2.gz YSQHAZUGDVEHOK-UHFFFAOYSA-N 1 0 365.821 2.548 20 5 FFBDRO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000449189756 514105982 /nfs/dbraw/zinc/10/59/82/514105982.db2.gz MOLKAHBWUOWZAG-CABCVRRESA-N 1 0 358.442 2.631 20 5 FFBDRO Cc1c(NC(=O)CCN2CC[NH2+]C[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000420402722 514132846 /nfs/dbraw/zinc/13/28/46/514132846.db2.gz KJRGSDPZZMUPPS-IBGZPJMESA-N 1 0 368.437 2.878 20 5 FFBDRO O=C(CN1CC[NH2+]C[C@H]1c1ccccc1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000420403176 514133119 /nfs/dbraw/zinc/13/31/19/514133119.db2.gz KTGZLZOPRIGIGD-KRWDZBQOSA-N 1 0 374.828 2.833 20 5 FFBDRO O=C(CCN1CC[NH2+]C[C@H]1c1ccccc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000420421202 514142174 /nfs/dbraw/zinc/14/21/74/514142174.db2.gz YNGIUAJLUVWUNE-SFHVURJKSA-N 1 0 354.410 2.570 20 5 FFBDRO CC[N@H+](CCNC(=O)c1ccc([N+](=O)[O-])cc1OC)CCC(F)(F)F ZINC000427209045 514150186 /nfs/dbraw/zinc/15/01/86/514150186.db2.gz LEKUEJGJWYHYDT-UHFFFAOYSA-N 1 0 363.336 2.608 20 5 FFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423529182 514162168 /nfs/dbraw/zinc/16/21/68/514162168.db2.gz OCLYDKZJZPRYRQ-ZOCIIQOWSA-N 1 0 368.437 2.657 20 5 FFBDRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])C[C@H]12 ZINC000423526487 514162358 /nfs/dbraw/zinc/16/23/58/514162358.db2.gz LIZQQLQMSUFXFN-ADEWGFFLSA-N 1 0 355.847 2.536 20 5 FFBDRO COC[C@@](C)(O)CC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000449384189 514186353 /nfs/dbraw/zinc/18/63/53/514186353.db2.gz MOOZPIIBUPNGCD-INIZCTEOSA-N 1 0 351.428 2.595 20 5 FFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](CO)c1ccc(F)cc1 ZINC000449380422 514187733 /nfs/dbraw/zinc/18/77/33/514187733.db2.gz MYKBKWUCEVSROG-PXAZEXFGSA-N 1 0 361.373 2.774 20 5 FFBDRO CN(c1ccccc1)c1ccc(C[NH2+][C@H]2CCCNC2=O)cc1[N+](=O)[O-] ZINC000449438803 514210549 /nfs/dbraw/zinc/21/05/49/514210549.db2.gz QXVOJRQESYRPJL-INIZCTEOSA-N 1 0 354.410 2.731 20 5 FFBDRO COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000414662838 514229728 /nfs/dbraw/zinc/22/97/28/514229728.db2.gz RKDLXRZPNXTZQN-ZWKOTPCHSA-N 1 0 370.409 2.871 20 5 FFBDRO CC[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000414735379 514263138 /nfs/dbraw/zinc/26/31/38/514263138.db2.gz LLYQAGWSTTUNJS-ZDUSSCGKSA-N 1 0 370.409 2.520 20 5 FFBDRO CC1(C)CCC[N@H+](CCNC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000444616214 514274353 /nfs/dbraw/zinc/27/43/53/514274353.db2.gz CDVDPERGTFXJLC-UHFFFAOYSA-N 1 0 371.441 2.632 20 5 FFBDRO CCOc1cc(NC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])cc1OCC ZINC000414753871 514274746 /nfs/dbraw/zinc/27/47/46/514274746.db2.gz FHFQSFISFMKIQH-NWDGAFQWSA-N 1 0 366.418 2.784 20 5 FFBDRO CCOc1cc(NC(=O)N[C@H](C[NH3+])C(C)(C)C)c([N+](=O)[O-])cc1OCC ZINC000414758299 514276831 /nfs/dbraw/zinc/27/68/31/514276831.db2.gz MQTHWIOVZGCAIF-OAHLLOKOSA-N 1 0 368.434 2.887 20 5 FFBDRO [NH3+][C@H]1CCC[C@H](CNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000449646414 514278675 /nfs/dbraw/zinc/27/86/75/514278675.db2.gz NTKVYNSBOZAEPU-AAEUAGOBSA-N 1 0 360.439 2.966 20 5 FFBDRO COCC(=O)N1CCC([NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000417310721 514287170 /nfs/dbraw/zinc/28/71/70/514287170.db2.gz KOXJKLRWYGBYTG-GOSISDBHSA-N 1 0 361.442 2.589 20 5 FFBDRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000438022927 514289943 /nfs/dbraw/zinc/28/99/43/514289943.db2.gz ZCODOCYHLWJOGL-FUHWJXTLSA-N 1 0 358.442 2.896 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCCS(=O)(=O)C1)CCCC2 ZINC000417331612 514297573 /nfs/dbraw/zinc/29/75/73/514297573.db2.gz MOWWACYZSMBJAO-DYVFJYSZSA-N 1 0 352.456 2.777 20 5 FFBDRO CS(=O)(=O)C1(C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CCC1 ZINC000417330250 514298192 /nfs/dbraw/zinc/29/81/92/514298192.db2.gz KJZGRLDWLAWGEY-MRXNPFEDSA-N 1 0 352.456 2.919 20 5 FFBDRO [NH3+]C[C@@H](NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])C1CCCC1 ZINC000423961286 514309466 /nfs/dbraw/zinc/30/94/66/514309466.db2.gz NWAPEYUQLNWYPZ-CYBMUJFWSA-N 1 0 355.822 2.651 20 5 FFBDRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000423988283 514323675 /nfs/dbraw/zinc/32/36/75/514323675.db2.gz XHLXCOXLDQCWKX-INIZCTEOSA-N 1 0 356.426 2.775 20 5 FFBDRO [NH3+][C@@H]1CCO[C@H](C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)CC2)C1 ZINC000424003939 514334893 /nfs/dbraw/zinc/33/48/93/514334893.db2.gz ALSFKFBFAZOHHM-WBMJQRKESA-N 1 0 367.833 2.607 20 5 FFBDRO C[NH2+]CCCN(C)C(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000424011273 514337737 /nfs/dbraw/zinc/33/77/37/514337737.db2.gz MYAOLECOQDRIAQ-HUUCEWRRSA-N 1 0 362.474 2.759 20 5 FFBDRO COc1cc(CN[C@H]2CC[NH2+]C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000414894003 514345006 /nfs/dbraw/zinc/34/50/06/514345006.db2.gz ZTRMVYQFAIJDAE-INIZCTEOSA-N 1 0 357.410 2.634 20 5 FFBDRO Cn1ccnc1[C@H](NCC[N@@H+]1CCCC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000449783458 514352235 /nfs/dbraw/zinc/35/22/35/514352235.db2.gz PFRHCXROBSNEFI-QGZVFWFLSA-N 1 0 357.458 2.882 20 5 FFBDRO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CC1 ZINC000424039651 514353401 /nfs/dbraw/zinc/35/34/01/514353401.db2.gz ZSBPAIPYPNUDJW-QGZVFWFLSA-N 1 0 363.483 2.924 20 5 FFBDRO COc1cc(C(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)cc([N+](=O)[O-])c1C ZINC000424048287 514356525 /nfs/dbraw/zinc/35/65/25/514356525.db2.gz YNFOJKFHNCHBQV-QGZVFWFLSA-N 1 0 361.442 2.762 20 5 FFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1Cc2cccc(O)c2C1 ZINC000433057831 514363716 /nfs/dbraw/zinc/36/37/16/514363716.db2.gz NIWWQWPLMNSTAC-IUODEOHRSA-N 1 0 355.394 2.775 20 5 FFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1Cc2cccc(O)c2C1 ZINC000433057828 514364132 /nfs/dbraw/zinc/36/41/32/514364132.db2.gz NIWWQWPLMNSTAC-DOMZBBRYSA-N 1 0 355.394 2.775 20 5 FFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1Cc2cccc(O)c2C1 ZINC000433057835 514365166 /nfs/dbraw/zinc/36/51/66/514365166.db2.gz NIWWQWPLMNSTAC-WFASDCNBSA-N 1 0 355.394 2.775 20 5 FFBDRO CN(C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414944557 514367776 /nfs/dbraw/zinc/36/77/76/514367776.db2.gz GZNRDRJVZZHDGZ-DHHPTOIESA-N 1 0 370.356 2.943 20 5 FFBDRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414947649 514369671 /nfs/dbraw/zinc/36/96/71/514369671.db2.gz KZFUFGCAXPYOEB-JOYOIKCWSA-N 1 0 358.345 2.930 20 5 FFBDRO COc1cc(C[N@@H+]2C[C@H](C)C[C@H](CO)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000420944446 514392903 /nfs/dbraw/zinc/39/29/03/514392903.db2.gz QVAOGTRLRVIJRA-MNOVXSKESA-N 1 0 360.357 2.655 20 5 FFBDRO CC(C)OC[C@@H](CO)[N@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000433144827 514398414 /nfs/dbraw/zinc/39/84/14/514398414.db2.gz DLQHQMJSACDSTE-MRXNPFEDSA-N 1 0 363.414 2.510 20 5 FFBDRO C[C@H]1CCCN(c2ccc(C(=O)NCC3CC[NH2+]CC3)cc2[N+](=O)[O-])C1 ZINC000428119340 514401225 /nfs/dbraw/zinc/40/12/25/514401225.db2.gz OFTBIAYLEBTCSE-AWEZNQCLSA-N 1 0 360.458 2.561 20 5 FFBDRO CCc1ccccc1[C@@H]([NH3+])CNCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000415063436 514423768 /nfs/dbraw/zinc/42/37/68/514423768.db2.gz IALDYGYZRGTPOJ-INIZCTEOSA-N 1 0 359.426 2.964 20 5 FFBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000445135658 514424127 /nfs/dbraw/zinc/42/41/27/514424127.db2.gz LRWOPIYREKXXLG-ZDUSSCGKSA-N 1 0 374.445 2.535 20 5 FFBDRO Cc1cc([C@H](C)[NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cs1 ZINC000453082965 514538964 /nfs/dbraw/zinc/53/89/64/514538964.db2.gz JBQKYUCHQZCGCP-LBPRGKRZSA-N 1 0 369.468 2.594 20 5 FFBDRO COC(=O)Cc1ccc(NC[C@@H](Cc2ccccc2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000450218961 514548935 /nfs/dbraw/zinc/54/89/35/514548935.db2.gz ZKHDITGPCWKSPZ-QGZVFWFLSA-N 1 0 371.437 2.895 20 5 FFBDRO Cc1ccc(S(=O)(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000470615179 514549422 /nfs/dbraw/zinc/54/94/22/514549422.db2.gz USRMEGASIZINGR-SOUVJXGZSA-N 1 0 369.487 2.548 20 5 FFBDRO C[C@@H](c1ccccc1)[C@@H](O)C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000450257230 514568028 /nfs/dbraw/zinc/56/80/28/514568028.db2.gz KKERXOBOBCAAFZ-JXFKEZNVSA-N 1 0 355.438 2.881 20 5 FFBDRO CC(C)[N@@H+]1CCC[C@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000470693023 514576792 /nfs/dbraw/zinc/57/67/92/514576792.db2.gz JOPHYEAOMPPZPI-INIZCTEOSA-N 1 0 360.458 2.798 20 5 FFBDRO C[C@H]([NH2+]CCn1cc(Br)ccc1=O)c1cccc([N+](=O)[O-])c1 ZINC000453257129 514581341 /nfs/dbraw/zinc/58/13/41/514581341.db2.gz UUTHXZHEUBNDJN-NSHDSACASA-N 1 0 366.215 2.870 20 5 FFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]Cc1cccc(N2CCOCC2)n1 ZINC000479604530 514653139 /nfs/dbraw/zinc/65/31/39/514653139.db2.gz GIMBUZMPXRTGDG-XQRVVYSFSA-N 1 0 354.410 2.629 20 5 FFBDRO COc1cccc(N2C[C@@H]([NH2+]Cc3ccc(C)c([N+](=O)[O-])c3)CC2=O)c1 ZINC000508077228 514657004 /nfs/dbraw/zinc/65/70/04/514657004.db2.gz GVYYTROILHUSGX-HNNXBMFYSA-N 1 0 355.394 2.807 20 5 FFBDRO COC1CC[NH+](C2(CNC(=O)c3ccc([N+](=O)[O-])s3)CCCC2)CC1 ZINC000502487300 514666904 /nfs/dbraw/zinc/66/69/04/514666904.db2.gz OKHRPGBEEVICRV-UHFFFAOYSA-N 1 0 367.471 2.810 20 5 FFBDRO Cc1cccc(NC(=O)[C@@H](C)[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000489047519 514683520 /nfs/dbraw/zinc/68/35/20/514683520.db2.gz WANIOROAZJBFQL-CQSZACIVSA-N 1 0 357.414 2.764 20 5 FFBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000470957181 514692750 /nfs/dbraw/zinc/69/27/50/514692750.db2.gz FWSWAIOVBZXLOU-HNNXBMFYSA-N 1 0 371.441 2.809 20 5 FFBDRO CN(C(=O)C[NH2+][C@@H]1CCCC[C@H]1OC(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000502565452 514697673 /nfs/dbraw/zinc/69/76/73/514697673.db2.gz MFONRZBZMCWCOH-ZIAGYGMSSA-N 1 0 357.357 2.698 20 5 FFBDRO C[C@H](CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)[N@@H+]1CCCC[C@H]1C ZINC000479858257 514746573 /nfs/dbraw/zinc/74/65/73/514746573.db2.gz AUXVGQIPCCVPKS-HUUCEWRRSA-N 1 0 371.441 2.773 20 5 FFBDRO COc1cc(C[N@@H+]2CCC[C@H](CNC(=O)C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000489221012 514757846 /nfs/dbraw/zinc/75/78/46/514757846.db2.gz CZFVSDNGVRMPPE-OAHLLOKOSA-N 1 0 363.458 2.978 20 5 FFBDRO Cc1cccc(C[N@H+](C)CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)n1 ZINC000471192505 514790864 /nfs/dbraw/zinc/79/08/64/514790864.db2.gz WCWSBUXSGCARLU-UHFFFAOYSA-N 1 0 356.382 2.728 20 5 FFBDRO CC(C)[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CC[N@@H+]1C ZINC000489360380 514816003 /nfs/dbraw/zinc/81/60/03/514816003.db2.gz YHMBILSPDVLMHA-ZDUSSCGKSA-N 1 0 357.357 2.608 20 5 FFBDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2cc([N+](=O)[O-])nn2C)cc1 ZINC000476071771 514907441 /nfs/dbraw/zinc/90/74/41/514907441.db2.gz IOFYNRVCFHMNOK-AWEZNQCLSA-N 1 0 371.441 2.633 20 5 FFBDRO CNc1nc(C(=O)N[C@@H](C)[C@H](c2ccccc2C)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000456025433 514911247 /nfs/dbraw/zinc/91/12/47/514911247.db2.gz MIGNXTKBQYQXDB-SUMWQHHRSA-N 1 0 371.441 2.761 20 5 FFBDRO COCC[N@@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C[C@H]1CC=CCC1 ZINC000485119525 514922773 /nfs/dbraw/zinc/92/27/73/514922773.db2.gz GIIJNTMMQJJREA-INIZCTEOSA-N 1 0 361.442 2.862 20 5 FFBDRO CC[N@@H+]1C[C@H](C)N(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC000498553580 514963862 /nfs/dbraw/zinc/96/38/62/514963862.db2.gz GLRMFRUHADSWCK-STQMWFEESA-N 1 0 369.849 2.958 20 5 FFBDRO Cc1ccc(C[C@H](CO)[NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000467358449 514986545 /nfs/dbraw/zinc/98/65/45/514986545.db2.gz ODRUUVWVJDWCFC-MAUKXSAKSA-N 1 0 371.437 2.814 20 5 FFBDRO CC[C@H](CO)[NH+]1CCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC1 ZINC000485394864 515023613 /nfs/dbraw/zinc/02/36/13/515023613.db2.gz BBDHWCCUGIELPR-MRXNPFEDSA-N 1 0 374.416 2.689 20 5 FFBDRO C[NH+](C)CCO[C@@H]1CCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)C1 ZINC000485415890 515032028 /nfs/dbraw/zinc/03/20/28/515032028.db2.gz MZQPVWGLIJOMBW-MRXNPFEDSA-N 1 0 374.416 2.953 20 5 FFBDRO CCOC(=O)[C@]1(COC)CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000467550645 515046256 /nfs/dbraw/zinc/04/62/56/515046256.db2.gz MCTQQWJCVGCQES-GOSISDBHSA-N 1 0 350.415 2.695 20 5 FFBDRO C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)CC[N@@H+]1C ZINC000462480372 515075204 /nfs/dbraw/zinc/07/52/04/515075204.db2.gz LUIANQHGYDWVFD-GDBMZVCRSA-N 1 0 356.426 2.885 20 5 FFBDRO C[NH+](C)[C@@H](CNc1cc(CN2CCOCC2)ccc1[N+](=O)[O-])c1ccco1 ZINC000472041390 515094166 /nfs/dbraw/zinc/09/41/66/515094166.db2.gz FDWULKXGQRWXFT-SFHVURJKSA-N 1 0 374.441 2.735 20 5 FFBDRO COc1cc(CNCC(C)(C)C[NH+]2CCCC2)c([N+](=O)[O-])cc1OC ZINC000480935016 515141486 /nfs/dbraw/zinc/14/14/86/515141486.db2.gz PDHVZSWVINIFNS-UHFFFAOYSA-N 1 0 351.447 2.824 20 5 FFBDRO C[C@@H]([NH2+][C@@H](C)CN1CCN(c2ccccn2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000467855908 515147856 /nfs/dbraw/zinc/14/78/56/515147856.db2.gz OIDJVVUBUVOKRO-DLBZAZTESA-N 1 0 369.469 2.851 20 5 FFBDRO COc1c[nH+]ccc1N1CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000481040199 515183376 /nfs/dbraw/zinc/18/33/76/515183376.db2.gz SFHRTOKHHMDZGY-UHFFFAOYSA-N 1 0 365.393 2.873 20 5 FFBDRO CCCCOCC[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000481177575 515236815 /nfs/dbraw/zinc/23/68/15/515236815.db2.gz NRWPSWAXIZRVLY-UHFFFAOYSA-N 1 0 361.446 2.800 20 5 FFBDRO CCOC(=O)CC(C)(C)N(C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000490667311 515276808 /nfs/dbraw/zinc/27/68/08/515276808.db2.gz DBFMUDMEJLZXAD-UHFFFAOYSA-N 1 0 362.386 2.808 20 5 FFBDRO CC(C)[C@H](CNc1ccc([N+](=O)[O-])c(OC(F)F)c1)[NH+]1CCN(C)CC1 ZINC000462920557 515299859 /nfs/dbraw/zinc/29/98/59/515299859.db2.gz ZVJRWRJUKSYDOA-HNNXBMFYSA-N 1 0 372.416 2.880 20 5 FFBDRO CNc1c(C(=O)Nc2ccc(OCC[NH+](C)C)cc2)cccc1[N+](=O)[O-] ZINC000462930620 515305524 /nfs/dbraw/zinc/30/55/24/515305524.db2.gz JVGSXIRBMSJLFN-UHFFFAOYSA-N 1 0 358.398 2.829 20 5 FFBDRO Cc1cnc(N2CCC([NH2+]CCOc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000463047581 515348072 /nfs/dbraw/zinc/34/80/72/515348072.db2.gz FRQGBQLSKLEZHZ-UHFFFAOYSA-N 1 0 356.426 2.936 20 5 FFBDRO C[C@@H]1COCCN1CC[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000491069543 515368946 /nfs/dbraw/zinc/36/89/46/515368946.db2.gz YEADQQSUPUSEQR-OXQOHEQNSA-N 1 0 355.438 2.995 20 5 FFBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000468490456 515386454 /nfs/dbraw/zinc/38/64/54/515386454.db2.gz ZXTBTQNSHCLIJL-OAHLLOKOSA-N 1 0 374.445 2.528 20 5 FFBDRO C[C@H]1CCC[C@](CNC(=O)CN(C)c2ccccc2[N+](=O)[O-])([NH+](C)C)C1 ZINC000463194399 515391170 /nfs/dbraw/zinc/39/11/70/515391170.db2.gz YYLSMKPBRAIMAH-KXBFYZLASA-N 1 0 362.474 2.658 20 5 FFBDRO O=[N+]([O-])c1ccccc1-c1ccc(CN2CCN([C@@H]3CC[NH2+]C3)CC2)s1 ZINC000491207588 515397953 /nfs/dbraw/zinc/39/79/53/515397953.db2.gz YTXJAROTIGQDHH-OAHLLOKOSA-N 1 0 372.494 2.803 20 5 FFBDRO CCOc1ccc([C@H](C)NCc2nnnn2-c2ccccc2)cc1[N+](=O)[O-] ZINC000504911719 515408623 /nfs/dbraw/zinc/40/86/23/515408623.db2.gz KHLSEDLQMCVRDC-ZDUSSCGKSA-N 1 0 368.397 2.820 20 5 FFBDRO CCOc1ccc(C(=O)N[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000481714297 515435983 /nfs/dbraw/zinc/43/59/83/515435983.db2.gz NQZGTSPIJBFFKK-SJORKVTESA-N 1 0 369.421 2.821 20 5 FFBDRO C[C@H]1C[C@@H](CCNC(=O)c2cc([N+](=O)[O-])c[nH]2)C[N@@H+]1Cc1ccccc1 ZINC000510231773 515475641 /nfs/dbraw/zinc/47/56/41/515475641.db2.gz ZIGDTZGKQLKOPV-GOEBONIOSA-N 1 0 356.426 2.953 20 5 FFBDRO C[C@H]1C[C@H](CCNC(=O)c2ccc([N+](=O)[O-])[nH]2)C[N@@H+]1Cc1ccccc1 ZINC000510259444 515486699 /nfs/dbraw/zinc/48/66/99/515486699.db2.gz QAZRFSQXWSLLOY-HOCLYGCPSA-N 1 0 356.426 2.953 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2Cc3ccc(O)cc3C3(CC3)C2)c1 ZINC000463427815 515492569 /nfs/dbraw/zinc/49/25/69/515492569.db2.gz WVJQQEFCRKIFET-KRWDZBQOSA-N 1 0 370.405 2.588 20 5 FFBDRO CC(C)[C@H]1CN(C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1C ZINC000486478899 515500051 /nfs/dbraw/zinc/50/00/51/515500051.db2.gz BHXCSXPYLFBZKJ-OAHLLOKOSA-N 1 0 354.838 2.730 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(N2CCC([NH2+]CCOc3ccccc3)CC2)n1 ZINC000481967103 515530514 /nfs/dbraw/zinc/53/05/14/515530514.db2.gz IWCIQPADQXBPGI-UHFFFAOYSA-N 1 0 356.426 2.936 20 5 FFBDRO CCOc1cc(C[NH+]2CCC(O[C@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000492632018 515551372 /nfs/dbraw/zinc/55/13/72/515551372.db2.gz REIDTBKNUTXCHY-INIZCTEOSA-N 1 0 350.415 2.763 20 5 FFBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000486632038 515570688 /nfs/dbraw/zinc/57/06/88/515570688.db2.gz DESKSQXJJDOOPS-LBPRGKRZSA-N 1 0 355.385 2.510 20 5 FFBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@H](c2ccccc2C)[NH+](C)C)n1 ZINC000510552386 515583051 /nfs/dbraw/zinc/58/30/51/515583051.db2.gz QGQOCBZFYQATLN-CXAGYDPISA-N 1 0 359.430 2.541 20 5 FFBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C[C@@H]1C ZINC000500109342 515593794 /nfs/dbraw/zinc/59/37/94/515593794.db2.gz BOAADLOSVQQJQH-QWRGUYRKSA-N 1 0 370.247 2.912 20 5 FFBDRO CCOc1cc(C(=O)N2C[C@H](C)[N@H+](CC)C[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000500122872 515601781 /nfs/dbraw/zinc/60/17/81/515601781.db2.gz QAYBRNPHBFVTLU-STQMWFEESA-N 1 0 365.430 2.557 20 5 FFBDRO CN(C(=O)c1c(N)cccc1[N+](=O)[O-])C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457061776 515617130 /nfs/dbraw/zinc/61/71/30/515617130.db2.gz BVZMFEKVCPDUIF-UHFFFAOYSA-N 1 0 374.363 2.666 20 5 FFBDRO CCN(CCC[NH+](C)C)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000468993571 515617752 /nfs/dbraw/zinc/61/77/52/515617752.db2.gz NDQUBXDQNZRSHM-UHFFFAOYSA-N 1 0 356.854 2.774 20 5 FFBDRO C[C@H]([NH2+][C@@H]1CCC[C@]1(C)CO)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000493526130 515638531 /nfs/dbraw/zinc/63/85/31/515638531.db2.gz MTLGHWFUDHJMBA-DRZCJDIDSA-N 1 0 355.822 2.716 20 5 FFBDRO CCOc1cc(C[NH2+][C@]2(CO)C[C@H](OCC)C2(C)C)ccc1[N+](=O)[O-] ZINC000493570919 515644255 /nfs/dbraw/zinc/64/42/55/515644255.db2.gz CWFNLAWEQIVPRI-WMZOPIPTSA-N 1 0 352.431 2.649 20 5 FFBDRO C[C@H](CNC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)[N@H+](C)C1CC1 ZINC000454659706 515647171 /nfs/dbraw/zinc/64/71/71/515647171.db2.gz RPXDXEZGWYFQDH-GDBMZVCRSA-N 1 0 360.458 2.967 20 5 FFBDRO CC(C)c1ccc(C(=O)N2CCC(OCC[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000473528760 515648051 /nfs/dbraw/zinc/64/80/51/515648051.db2.gz UYNNDQPOFHRKDF-UHFFFAOYSA-N 1 0 363.458 2.901 20 5 FFBDRO O=C(NC1CC([NH+]2CCCCC2)C1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000477951661 515650020 /nfs/dbraw/zinc/65/00/20/515650020.db2.gz TUPHGTGQWPVTBX-UHFFFAOYSA-N 1 0 369.425 2.527 20 5 FFBDRO CO[C@H](CC[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000469161436 515698522 /nfs/dbraw/zinc/69/85/22/515698522.db2.gz VOUJJOOJQXEAEF-GXFFZTMASA-N 1 0 363.336 2.869 20 5 FFBDRO COc1ccc(NC(=O)CC[NH2+][C@@H](C)c2cncc(F)c2)c([N+](=O)[O-])c1 ZINC000459624420 515705317 /nfs/dbraw/zinc/70/53/17/515705317.db2.gz UUJAUMTXFVXKCZ-NSHDSACASA-N 1 0 362.361 2.817 20 5 FFBDRO COc1cccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)c1[N+](=O)[O-] ZINC000494036220 515716265 /nfs/dbraw/zinc/71/62/65/515716265.db2.gz DEZNCQOWQQNQJD-RHSMWYFYSA-N 1 0 369.421 2.996 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCc1nnnn1-c1ccccc1)CCC2 ZINC000511013658 515746011 /nfs/dbraw/zinc/74/60/11/515746011.db2.gz QQNSIJNAMLNMIR-GOSISDBHSA-N 1 0 364.409 2.780 20 5 FFBDRO NC(=O)[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1F)Cc1ccccc1Cl ZINC000478256013 515755939 /nfs/dbraw/zinc/75/59/39/515755939.db2.gz MDDTWWCQOIARGB-CYBMUJFWSA-N 1 0 365.792 2.821 20 5 FFBDRO C[C@H]1CCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@@H](C)[C@H]1[NH3+] ZINC000457363444 515828343 /nfs/dbraw/zinc/82/83/43/515828343.db2.gz KSTVSCUFPOYZIP-PGUXBMHVSA-N 1 0 360.439 2.916 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H]([NH3+])C1 ZINC000457385245 515842476 /nfs/dbraw/zinc/84/24/76/515842476.db2.gz SBPZMMSIFRLHFJ-DOTOQJQBSA-N 1 0 373.384 2.700 20 5 FFBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000494472425 515854281 /nfs/dbraw/zinc/85/42/81/515854281.db2.gz YEBSZAMNXPNFSS-OCCSQVGLSA-N 1 0 354.769 2.741 20 5 FFBDRO Cc1ccccc1[C@H]([C@H](C)NC(=O)c1c(N)cccc1[N+](=O)[O-])[NH+](C)C ZINC000487438970 515861251 /nfs/dbraw/zinc/86/12/51/515861251.db2.gz JIODUNJWLINCEN-UGSOOPFHSA-N 1 0 356.426 2.907 20 5 FFBDRO CNc1nc(C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)ccc1[N+](=O)[O-] ZINC000454980807 515873742 /nfs/dbraw/zinc/87/37/42/515873742.db2.gz MDDFOPRHQQPNON-UHFFFAOYSA-N 1 0 369.425 2.922 20 5 FFBDRO C[C@H](Nc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])C1=CC[N@H+](C)CC1 ZINC000511368534 515879909 /nfs/dbraw/zinc/87/99/09/515879909.db2.gz FKXGSKGPWJMMND-ZDUSSCGKSA-N 1 0 369.425 2.622 20 5 FFBDRO Cc1cc(N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)ncc1[N+](=O)[O-] ZINC000474152233 515908173 /nfs/dbraw/zinc/90/81/73/515908173.db2.gz TZWLQGASRSYUCW-IAGOWNOFSA-N 1 0 356.426 2.593 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+]C1(CCO)CCCCC1 ZINC000474278217 515968742 /nfs/dbraw/zinc/96/87/42/515968742.db2.gz WBGXPCLAKKNNDM-UHFFFAOYSA-N 1 0 365.430 2.607 20 5 FFBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000501080023 515970984 /nfs/dbraw/zinc/97/09/84/515970984.db2.gz BPFWFSSPSJYFCE-LLVKDONJSA-N 1 0 357.208 2.573 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+][C@@H](C)Cc2ccc(O)cc2)cc1[N+](=O)[O-] ZINC000474347174 516003315 /nfs/dbraw/zinc/00/33/15/516003315.db2.gz JVYDKGSRITZDDB-ZDUSSCGKSA-N 1 0 374.393 2.573 20 5 FFBDRO C[C@@H]([NH2+]CCCCN1C(=O)NC2(CCCC2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000478910803 516004606 /nfs/dbraw/zinc/00/46/06/516004606.db2.gz NPBQWHWYXNEAEQ-CQSZACIVSA-N 1 0 374.441 2.890 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+][C@H]2CCCC(F)(F)C2)cc1[N+](=O)[O-] ZINC000474347625 516004740 /nfs/dbraw/zinc/00/47/40/516004740.db2.gz SSIKHEYECGDWMU-LBPRGKRZSA-N 1 0 358.341 2.814 20 5 FFBDRO CC1(C)C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@@]2(CCCOC2)O1 ZINC000483360691 516049695 /nfs/dbraw/zinc/04/96/95/516049695.db2.gz WTPOTTUIZOECDC-GOSISDBHSA-N 1 0 350.415 2.634 20 5 FFBDRO CC1(C)[C@@H](C(F)(F)F)CC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000469996612 516067411 /nfs/dbraw/zinc/06/74/11/516067411.db2.gz PBASSNOBLMKARE-OCCSQVGLSA-N 1 0 362.348 2.997 20 5 FFBDRO [NH3+]C[C@@H](C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000479135626 516072148 /nfs/dbraw/zinc/07/21/48/516072148.db2.gz WRDAAABZMFUZOR-GOSISDBHSA-N 1 0 359.401 2.915 20 5 FFBDRO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000507103095 516090499 /nfs/dbraw/zinc/09/04/99/516090499.db2.gz MOQZUBJYWCADLB-UHFFFAOYSA-N 1 0 356.426 2.704 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000474568727 516097771 /nfs/dbraw/zinc/09/77/71/516097771.db2.gz RWKQYDSCIWUHLV-NSHDSACASA-N 1 0 355.822 2.568 20 5 FFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCN(CC[NH+]2CCCC2)CC1 ZINC000470170033 516158472 /nfs/dbraw/zinc/15/84/72/516158472.db2.gz NPOPRACWNHKVFO-SDXDJHTJSA-N 1 0 358.486 2.712 20 5 FFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000470170584 516161237 /nfs/dbraw/zinc/16/12/37/516161237.db2.gz XLDKBAZJJWKQKN-XSVZSIDJSA-N 1 0 373.453 2.569 20 5 FFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](SC)[C@@H]([NH+](C)C)C1 ZINC000495580628 516190996 /nfs/dbraw/zinc/19/09/96/516190996.db2.gz LSMUSAXHJWCYRM-DZGCQCFKSA-N 1 0 369.512 2.824 20 5 FFBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@H](C)C1 ZINC000488715900 516293095 /nfs/dbraw/zinc/29/30/95/516293095.db2.gz BRBPHCLHAMHVMF-ZENOOKHLSA-N 1 0 357.414 2.811 20 5 FFBDRO C[C@@H]1CN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC[N@@H+](C2CCC2)C1 ZINC000488760726 516302364 /nfs/dbraw/zinc/30/23/64/516302364.db2.gz FGXOLRRXJCPCPH-ZDUSSCGKSA-N 1 0 357.414 2.955 20 5 FFBDRO C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000497401300 516320064 /nfs/dbraw/zinc/32/00/64/516320064.db2.gz ZBLNGMAUZWOIOI-PKOBYXMFSA-N 1 0 364.405 2.904 20 5 FFBDRO C[N@@H+]1C[C@H](NC(=O)CSc2ccc([N+](=O)[O-])cc2)[C@@H](c2ccccc2)C1 ZINC000497427996 516322068 /nfs/dbraw/zinc/32/20/68/516322068.db2.gz HRUCCMQVDSJMKU-MSOLQXFVSA-N 1 0 371.462 2.901 20 5 FFBDRO CC[N@@H+]1C[C@@H](C)N(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C[C@@H]1C ZINC000497558324 516326365 /nfs/dbraw/zinc/32/63/65/516326365.db2.gz NZNYULTUHCWNQF-LSDHHAIUSA-N 1 0 360.458 2.750 20 5 FFBDRO C[C@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000531190291 516338458 /nfs/dbraw/zinc/33/84/58/516338458.db2.gz IUFZHTZZWFYYFE-SNVBAGLBSA-N 1 0 356.220 2.571 20 5 FFBDRO COc1ccc(CNC(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000517738097 516433154 /nfs/dbraw/zinc/43/31/54/516433154.db2.gz WGEZANITQNMRIB-UONOGXRCSA-N 1 0 364.446 2.523 20 5 FFBDRO CCc1nnc(NC(=O)[C@H](C)[C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2)s1 ZINC000513074479 516462627 /nfs/dbraw/zinc/46/26/27/516462627.db2.gz HHIDDVNAGSHFIV-GHMZBOCLSA-N 1 0 363.443 2.762 20 5 FFBDRO O=C(CC[NH2+]CCCn1cnc2ccccc21)Nc1ccccc1[N+](=O)[O-] ZINC000557876168 516484378 /nfs/dbraw/zinc/48/43/78/516484378.db2.gz KSYFYXNCBDEQRE-UHFFFAOYSA-N 1 0 367.409 2.953 20 5 FFBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH2+][C@H](CCO)c1ccccc1 ZINC000540330463 516514126 /nfs/dbraw/zinc/51/41/26/516514126.db2.gz UWRXXKZUBFNPDP-MRXNPFEDSA-N 1 0 371.393 2.606 20 5 FFBDRO C[C@@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccc2n[nH]cc2c1 ZINC000513211578 516524532 /nfs/dbraw/zinc/52/45/32/516524532.db2.gz YEEPHBYMKCZABA-DOMZBBRYSA-N 1 0 356.382 2.562 20 5 FFBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C[C@@H](C)C1 ZINC000558027892 516559990 /nfs/dbraw/zinc/55/99/90/516559990.db2.gz XFFMFBWSWPJWAP-QMTMVMCOSA-N 1 0 370.453 2.738 20 5 FFBDRO Cc1cc(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)nc(C)n1 ZINC000551219187 516612208 /nfs/dbraw/zinc/61/22/08/516612208.db2.gz FXXGOCDJNDUXOW-UHFFFAOYSA-N 1 0 352.398 2.692 20 5 FFBDRO CN(C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1C[NH+]2CCC1CC2 ZINC000523954178 516617367 /nfs/dbraw/zinc/61/73/67/516617367.db2.gz QKJFDDFVZLSHCU-OAHLLOKOSA-N 1 0 367.833 2.570 20 5 FFBDRO C[NH2+]C[C@@H]1CCCN(C(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC000558156094 516621041 /nfs/dbraw/zinc/62/10/41/516621041.db2.gz YCAJDJIWVUAGNR-CVEARBPZSA-N 1 0 374.485 2.903 20 5 FFBDRO COc1cc2nc(N(C)Cc3ccccc3[N+](=O)[O-])nc(N)c2cc1OC ZINC000518352121 516623323 /nfs/dbraw/zinc/62/33/23/516623323.db2.gz UUIOHWYDFFOYFS-UHFFFAOYSA-N 1 0 369.381 2.604 20 5 FFBDRO O=C(CC[N@@H+]1CCC2(C1)Oc1ccccc1O2)Nc1ccc([N+](=O)[O-])cc1 ZINC000558182779 516633412 /nfs/dbraw/zinc/63/34/12/516633412.db2.gz QALYQHYTXVMXHE-UHFFFAOYSA-N 1 0 369.377 2.797 20 5 FFBDRO CCN(CC[NH+]1CCCCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000561547317 516645934 /nfs/dbraw/zinc/64/59/34/516645934.db2.gz OXKBQHITINAKTB-UHFFFAOYSA-N 1 0 369.487 2.790 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCC(C)(C)C[NH+]2CCCC2)c1 ZINC000540657548 516657260 /nfs/dbraw/zinc/65/72/60/516657260.db2.gz ZHBIYXYDHQLCPU-UHFFFAOYSA-N 1 0 363.458 2.910 20 5 FFBDRO C[NH+](C)CCn1ccc2ccc(NC(=O)c3ccc([N+](=O)[O-])cn3)cc21 ZINC000531882394 516690785 /nfs/dbraw/zinc/69/07/85/516690785.db2.gz ZEGBFEAIKNABSI-UHFFFAOYSA-N 1 0 353.382 2.758 20 5 FFBDRO COC[C@H](C)[N@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000554934341 516705825 /nfs/dbraw/zinc/70/58/25/516705825.db2.gz IYWOOXYGUISWJN-VIFPVBQESA-N 1 0 364.183 2.666 20 5 FFBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1 ZINC000561746993 516745384 /nfs/dbraw/zinc/74/53/84/516745384.db2.gz QTPOWGAQKYPWDL-FCEWJHQRSA-N 1 0 374.485 2.976 20 5 FFBDRO CC[NH+](CC)[C@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])c1ccccc1Cl ZINC000548084352 516751076 /nfs/dbraw/zinc/75/10/76/516751076.db2.gz RBCXUZIGBNQXJQ-CQSZACIVSA-N 1 0 365.821 2.784 20 5 FFBDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)c3c[nH]nc3[N+](=O)[O-])cc2)C1 ZINC000548082298 516752034 /nfs/dbraw/zinc/75/20/34/516752034.db2.gz LUKNROKBVAFCOK-ZIAGYGMSSA-N 1 0 371.441 2.726 20 5 FFBDRO CCO[C@H]1C[C@@H]([N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)C1(CC)CC ZINC000536426727 516759189 /nfs/dbraw/zinc/75/91/89/516759189.db2.gz OYUBRDZAQUSDQY-CVEARBPZSA-N 1 0 351.447 2.672 20 5 FFBDRO Cn1ccnc1[C@@H](NCCC[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000518788371 516776162 /nfs/dbraw/zinc/77/61/62/516776162.db2.gz OOCHNUTWGRLPNM-SFHVURJKSA-N 1 0 357.458 2.883 20 5 FFBDRO 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ZINC000532421272 516967901 /nfs/dbraw/zinc/96/79/01/516967901.db2.gz XULYAAFTDLWBRV-ZWKOTPCHSA-N 1 0 356.426 2.620 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000541314437 516982546 /nfs/dbraw/zinc/98/25/46/516982546.db2.gz FNWUOFVLXCSKGH-ZIAGYGMSSA-N 1 0 364.446 2.666 20 5 FFBDRO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1c(F)cccc1F ZINC000541324195 516992013 /nfs/dbraw/zinc/99/20/13/516992013.db2.gz SZDDKJLEGQXGMO-NWDGAFQWSA-N 1 0 352.337 2.964 20 5 FFBDRO CC[C@@H](CO)[NH+]1CCN(c2cc(C)c(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000558922296 517002829 /nfs/dbraw/zinc/00/28/29/517002829.db2.gz ORBLLVQBMINDAY-LBPRGKRZSA-N 1 0 361.364 2.815 20 5 FFBDRO CC1=CC[N@H+](CCNC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000545174168 517086792 /nfs/dbraw/zinc/08/67/92/517086792.db2.gz OTDJRGYLQYQNPV-CYBMUJFWSA-N 1 0 367.833 2.784 20 5 FFBDRO C[N@H+]1CC=C(CNC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])CC1 ZINC000537238647 517102934 /nfs/dbraw/zinc/10/29/34/517102934.db2.gz 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O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])NCC[NH+]1CCCCC1 ZINC000541851509 517251124 /nfs/dbraw/zinc/25/11/24/517251124.db2.gz FXNHKEJGHLXECM-UHFFFAOYSA-N 1 0 354.838 2.576 20 5 FFBDRO C[NH+](C)CCOc1cnccc1CNc1ncc([N+](=O)[O-])cc1Cl ZINC000515326223 517297926 /nfs/dbraw/zinc/29/79/26/517297926.db2.gz XGFYGJOXTYZCAK-UHFFFAOYSA-N 1 0 351.794 2.591 20 5 FFBDRO CC(C)Oc1ccc(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000515326582 517299479 /nfs/dbraw/zinc/29/94/79/517299479.db2.gz HRSQAEOSFBUOEM-MRXNPFEDSA-N 1 0 360.410 2.912 20 5 FFBDRO COc1ccc2c(c1)C[C@@H](C)[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@H]2C ZINC000541988927 517325869 /nfs/dbraw/zinc/32/58/69/517325869.db2.gz CSZAUZCPFQDNST-KGLIPLIRSA-N 1 0 357.410 2.773 20 5 FFBDRO CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CC[NH+](C)CC2)cc1OC ZINC000541989866 517325959 /nfs/dbraw/zinc/32/59/59/517325959.db2.gz YFAGJBBVLFBGBP-AWEZNQCLSA-N 1 0 351.447 2.776 20 5 FFBDRO COc1ccc(NC(=O)NC[C@H](C)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000542032952 517348669 /nfs/dbraw/zinc/34/86/69/517348669.db2.gz OSAKLLKIMPIZPI-ZDUSSCGKSA-N 1 0 350.419 2.847 20 5 FFBDRO C[C@H](COc1cccc(F)c1)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000515466838 517362323 /nfs/dbraw/zinc/36/23/23/517362323.db2.gz AAMXDFQBFFHBQG-CZUORRHYSA-N 1 0 364.373 2.531 20 5 FFBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Nc1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000520441906 517394839 /nfs/dbraw/zinc/39/48/39/517394839.db2.gz BYUVFUPLCGZVRE-GUYCJALGSA-N 1 0 354.410 2.626 20 5 FFBDRO C[C@@H]1C[N@@H+](Cc2ccccc2CNc2c([N+](=O)[O-])ncn2C)C[C@H](C)O1 ZINC000515551775 517403516 /nfs/dbraw/zinc/40/35/16/517403516.db2.gz RLKLMHDATXSVMD-OKILXGFUSA-N 1 0 359.430 2.550 20 5 FFBDRO Cc1ccccc1CCNC(=O)CN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000549174320 517438150 /nfs/dbraw/zinc/43/81/50/517438150.db2.gz WWMFPHGURPEYBJ-UHFFFAOYSA-N 1 0 355.438 2.736 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCc2ccc(O)cc2C1 ZINC000533393862 517440593 /nfs/dbraw/zinc/44/05/93/517440593.db2.gz WZYPDPIBTNZSMT-UHFFFAOYSA-N 1 0 355.394 2.996 20 5 FFBDRO CC(C)[N@H+](C)CC1CCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000533409433 517450949 /nfs/dbraw/zinc/45/09/49/517450949.db2.gz WTHRVMLOPLGPTL-HNNXBMFYSA-N 1 0 362.474 2.974 20 5 FFBDRO CCOc1ccc(NC(=O)C[N@H+](C[C@H](C)OC)C(C)C)c([N+](=O)[O-])c1 ZINC000533429484 517458986 /nfs/dbraw/zinc/45/89/86/517458986.db2.gz CAQIRLYOFSYEBJ-ZDUSSCGKSA-N 1 0 353.419 2.677 20 5 FFBDRO C[NH+](C)C1CCC(NC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000562931982 517510605 /nfs/dbraw/zinc/51/06/05/517510605.db2.gz DGIPCGJTVVLBBH-UHFFFAOYSA-N 1 0 373.457 2.791 20 5 FFBDRO COc1ccc(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])cc1Cl ZINC000520797962 517515670 /nfs/dbraw/zinc/51/56/70/517515670.db2.gz MFSCHKHREJQEIZ-ZDUSSCGKSA-N 1 0 366.801 2.786 20 5 FFBDRO CC(C)(C)CC[NH+]1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000516003289 517536046 /nfs/dbraw/zinc/53/60/46/517536046.db2.gz CYBOYZAITVWRJY-UHFFFAOYSA-N 1 0 362.474 2.977 20 5 FFBDRO COc1cc(C(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])c([N+](=O)[O-])cc1OC(F)F ZINC000562973426 517546398 /nfs/dbraw/zinc/54/63/98/517546398.db2.gz GXRZHIKTXGYGPO-KOLCDFICSA-N 1 0 373.356 2.547 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N3CC[C@H]4C[NH2+]C[C@H]4C3)cc2[N+](=O)[O-])C1 ZINC000556705689 517586775 /nfs/dbraw/zinc/58/67/75/517586775.db2.gz JWYJIKLEAYTFBU-PVAVHDDUSA-N 1 0 372.469 2.513 20 5 FFBDRO Cc1c(Br)c(N2CC[C@H](C[NH+]3CCCC3)C2)ncc1[N+](=O)[O-] ZINC000542506194 517600773 /nfs/dbraw/zinc/60/07/73/517600773.db2.gz NZNKKTLYKFCORA-GFCCVEGCSA-N 1 0 369.263 2.983 20 5 FFBDRO O=[N+]([O-])c1ccccc1/C=C\CNC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000538414957 517610609 /nfs/dbraw/zinc/61/06/09/517610609.db2.gz SSXMFQFWWQCDGO-PNWMKBJFSA-N 1 0 367.449 2.835 20 5 FFBDRO O=C(NC1CC1)N[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000546266955 517623389 /nfs/dbraw/zinc/62/33/89/517623389.db2.gz QBXSYDMPJNELAX-AWEZNQCLSA-N 1 0 370.409 2.891 20 5 FFBDRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)c2ccc([N+](=O)[O-])cc2C)cc1 ZINC000560249939 517658617 /nfs/dbraw/zinc/65/86/17/517658617.db2.gz NOJLLTSXBLCKKC-GOSISDBHSA-N 1 0 357.410 2.945 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(OCC[NH+](C)C)c2)c1 ZINC000516319302 517659481 /nfs/dbraw/zinc/65/94/81/517659481.db2.gz FAGGDJHQXRPSQP-UHFFFAOYSA-N 1 0 359.382 2.796 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CCCn2ccc3ccccc32)c1 ZINC000549696761 517662921 /nfs/dbraw/zinc/66/29/21/517662921.db2.gz RONFZAHTXDWOGT-GOSISDBHSA-N 1 0 369.421 2.969 20 5 FFBDRO CO[C@@H]1COC[C@H]1[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000563122626 517675452 /nfs/dbraw/zinc/67/54/52/517675452.db2.gz NQWGBIYEFIZZQT-VQIMIIECSA-N 1 0 357.410 2.866 20 5 FFBDRO Cc1ccc2c(c1)[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000542666482 517679360 /nfs/dbraw/zinc/67/93/60/517679360.db2.gz QZWSMIXLZGSJEM-SFHVURJKSA-N 1 0 360.435 2.954 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N(CCC[NH3+])CC2CCCC2)c1 ZINC000563130093 517681115 /nfs/dbraw/zinc/68/11/15/517681115.db2.gz RVARHKPMSQQFDJ-UHFFFAOYSA-N 1 0 369.487 2.741 20 5 FFBDRO CC(C)[N@H+](C)CC1CCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000560336514 517710162 /nfs/dbraw/zinc/71/01/62/517710162.db2.gz NZKGOHLRWPNWCD-HNNXBMFYSA-N 1 0 362.474 2.974 20 5 FFBDRO CC(=O)NCC[N@H+](Cc1ccc([N+](=O)[O-])cc1C)C1CCSCC1 ZINC000549851636 517745643 /nfs/dbraw/zinc/74/56/43/517745643.db2.gz BUYZLZAKKMACHO-UHFFFAOYSA-N 1 0 351.472 2.737 20 5 FFBDRO CN(CCC[N@H+](C)Cc1ccncc1)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000556933745 517757571 /nfs/dbraw/zinc/75/75/71/517757571.db2.gz LNIJUDFMTNAMAE-UHFFFAOYSA-N 1 0 356.426 2.513 20 5 FFBDRO O=C1[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)CCN1c1cccc([N+](=O)[O-])c1 ZINC000549920085 517781924 /nfs/dbraw/zinc/78/19/24/517781924.db2.gz PHFCICVHZVRKJG-BSDSXHPESA-N 1 0 371.437 2.637 20 5 FFBDRO Cn1ccnc1[C@H](NC[C@@H](O)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000560528907 517874621 /nfs/dbraw/zinc/87/46/21/517874621.db2.gz RUUHXWRGGFUDKH-QZTJIDSGSA-N 1 0 358.442 2.949 20 5 FFBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N1CCC[N@H+](CC2CCC2)CC1 ZINC000563391970 517875878 /nfs/dbraw/zinc/87/58/78/517875878.db2.gz CVXXPFJLJQOEFB-UHFFFAOYSA-N 1 0 361.442 2.698 20 5 FFBDRO CC[C@H](C)C[C@H](CC)[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000539071226 517903030 /nfs/dbraw/zinc/90/30/30/517903030.db2.gz PKVWYNUREZYJLQ-KBPBESRZSA-N 1 0 357.476 2.678 20 5 FFBDRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000539082816 517904260 /nfs/dbraw/zinc/90/42/60/517904260.db2.gz JKUSHVWOGZPCQZ-BBWFWOEESA-N 1 0 366.483 2.861 20 5 FFBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]C1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000539241282 517962021 /nfs/dbraw/zinc/96/20/21/517962021.db2.gz FFOFIQIZCWVRSS-UHFFFAOYSA-N 1 0 358.398 2.659 20 5 FFBDRO CCC(CC)[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccs1 ZINC000539278954 517977479 /nfs/dbraw/zinc/97/74/79/517977479.db2.gz YALTVYVQMGSMHO-GDBMZVCRSA-N 1 0 352.460 2.981 20 5 FFBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000522200998 518030460 /nfs/dbraw/zinc/03/04/60/518030460.db2.gz BBJGUZMIHRNKMQ-STQMWFEESA-N 1 0 369.849 2.862 20 5 FFBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000522200997 518030596 /nfs/dbraw/zinc/03/05/96/518030596.db2.gz BBJGUZMIHRNKMQ-QWHCGFSZSA-N 1 0 369.849 2.862 20 5 FFBDRO CC1=CCN(CC[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000547285871 518058391 /nfs/dbraw/zinc/05/83/91/518058391.db2.gz JOZGASXTDMJVSH-UHFFFAOYSA-N 1 0 355.442 2.737 20 5 FFBDRO CC(C)C[NH+]1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000547290420 518060769 /nfs/dbraw/zinc/06/07/69/518060769.db2.gz YIJRKKJDZWJCCB-UHFFFAOYSA-N 1 0 351.422 2.812 20 5 FFBDRO CNc1ccc(C(=O)Nc2cc(C)nn2C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000530952326 518065041 /nfs/dbraw/zinc/06/50/41/518065041.db2.gz WHCOLJGYIAKCBA-UHFFFAOYSA-N 1 0 372.429 2.660 20 5 FFBDRO Cc1cc(N2CC[C@@H](Nc3ncccn3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000563710925 518084271 /nfs/dbraw/zinc/08/42/71/518084271.db2.gz XKEOBJJATSCPET-CYBMUJFWSA-N 1 0 350.382 2.932 20 5 FFBDRO CN(C(=O)c1cc([N+](=O)[O-])cn1C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000531062785 518122835 /nfs/dbraw/zinc/12/28/35/518122835.db2.gz IBDLHLXCWCBLCY-INIZCTEOSA-N 1 0 356.426 2.670 20 5 FFBDRO COc1cc(C[N@H+](C)CCn2ccc([N+](=O)[O-])n2)ccc1OC(F)F ZINC000531142989 518152352 /nfs/dbraw/zinc/15/23/52/518152352.db2.gz TUMYEEZVTZMXEA-UHFFFAOYSA-N 1 0 356.329 2.533 20 5 FFBDRO COc1ccc(C[NH2+]Cc2ccc(Cn3cncn3)cc2)cc1[N+](=O)[O-] ZINC000575457393 518223097 /nfs/dbraw/zinc/22/30/97/518223097.db2.gz RNKHQWMDPGJCDE-UHFFFAOYSA-N 1 0 353.382 2.533 20 5 FFBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000566836451 518223777 /nfs/dbraw/zinc/22/37/77/518223777.db2.gz KBDIYFSTHWUJIU-KRWDZBQOSA-N 1 0 360.458 2.783 20 5 FFBDRO O=[N+]([O-])c1cnc2ccccc2c1N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000563975864 518254932 /nfs/dbraw/zinc/25/49/32/518254932.db2.gz JVSCREJXQKVKOZ-OAHLLOKOSA-N 1 0 356.426 2.834 20 5 FFBDRO CC(C)[NH2+]CCCNC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000567047140 518327920 /nfs/dbraw/zinc/32/79/20/518327920.db2.gz MCLZVUGZJCBYOO-HNNXBMFYSA-N 1 0 362.474 2.949 20 5 FFBDRO Cc1cc(NC[C@H]2CCC3(CCOCC3)[C@H]2O)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000575884597 518328744 /nfs/dbraw/zinc/32/87/44/518328744.db2.gz LUTFQMPMCDAJAE-KUHUBIRLSA-N 1 0 371.437 2.853 20 5 FFBDRO CC(C)(C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000572751937 518346134 /nfs/dbraw/zinc/34/61/34/518346134.db2.gz WLIWZNUPKKPERR-UHFFFAOYSA-N 1 0 368.480 2.997 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CCC2Cc3ccccc3C2)cc1 ZINC000575981273 518372007 /nfs/dbraw/zinc/37/20/07/518372007.db2.gz DHIHNGHTXPFNJF-UHFFFAOYSA-N 1 0 374.462 2.763 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@@H]1CCOc2ccc(F)cc21 ZINC000578859607 518408007 /nfs/dbraw/zinc/40/80/07/518408007.db2.gz QZWQKYLXBHJBQB-DZGCQCFKSA-N 1 0 362.357 2.587 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2nnc(N3CC[NH+](C4CCC4)CC3)n2C2CC2)c1 ZINC000567243575 518426473 /nfs/dbraw/zinc/42/64/73/518426473.db2.gz VYTWSIUQKOQINF-UHFFFAOYSA-N 1 0 368.441 2.863 20 5 FFBDRO C[N@@H+]1CCO[C@H]2CCN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)C[C@H]21 ZINC000584710854 518441301 /nfs/dbraw/zinc/44/13/01/518441301.db2.gz KKIRLDYOSJRPIG-SJORKVTESA-N 1 0 354.410 2.566 20 5 FFBDRO CNC(=O)[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1)Cc1ccc(F)cc1C ZINC000570161071 518471634 /nfs/dbraw/zinc/47/16/34/518471634.db2.gz QDTFRXCNEMWVBL-MRXNPFEDSA-N 1 0 359.401 2.737 20 5 FFBDRO C[C@H]1CCCC[C@H]1CN(CC[NH3+])c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000564500870 518476366 /nfs/dbraw/zinc/47/63/66/518476366.db2.gz WSZYMYLDKZLNFO-KBPBESRZSA-N 1 0 369.487 2.590 20 5 FFBDRO C[C@H]1C[C@H](C)CN(c2ccc(C(=O)NCCC[NH2+]C3CC3)cc2[N+](=O)[O-])C1 ZINC000573093279 518504994 /nfs/dbraw/zinc/50/49/94/518504994.db2.gz LEZFGUMEPRILLE-GJZGRUSLSA-N 1 0 374.485 2.949 20 5 FFBDRO CC[NH+](CC)[C@H]1CCN(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000564635196 518535243 /nfs/dbraw/zinc/53/52/43/518535243.db2.gz SFDZWBBCMMAGPP-INIZCTEOSA-N 1 0 373.457 2.744 20 5 FFBDRO CC(C)COC[C@@H](O)C[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000581998487 518539597 /nfs/dbraw/zinc/53/95/97/518539597.db2.gz LHQACVLWRYJNMB-AWEZNQCLSA-N 1 0 350.337 2.737 20 5 FFBDRO CC(C)(C)[C@@H](C[NH3+])NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000564841330 518645083 /nfs/dbraw/zinc/64/50/83/518645083.db2.gz VCHMTVUYNDLLQN-GFCCVEGCSA-N 1 0 363.336 2.639 20 5 FFBDRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000586837134 518658471 /nfs/dbraw/zinc/65/84/71/518658471.db2.gz BTLUQHXRQAIUOD-UHFFFAOYSA-N 1 0 374.441 2.605 20 5 FFBDRO CC(C)Oc1cc(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])ccn1 ZINC000576577501 518659297 /nfs/dbraw/zinc/65/92/97/518659297.db2.gz WLBCQGNGNGKLOF-UHFFFAOYSA-N 1 0 358.398 2.895 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000573442443 518667625 /nfs/dbraw/zinc/66/76/25/518667625.db2.gz IRTXDYIPUXFDPC-CYBMUJFWSA-N 1 0 363.414 2.575 20 5 FFBDRO C[C@@H](COc1cccc(F)c1)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000570675630 518725838 /nfs/dbraw/zinc/72/58/38/518725838.db2.gz PRYOFAGWJFRLKP-ZFWWWQNUSA-N 1 0 364.373 2.531 20 5 FFBDRO O=[N+]([O-])c1cc(Br)cnc1N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000573585893 518739122 /nfs/dbraw/zinc/73/91/22/518739122.db2.gz QNCKYIRVXSEJNT-NSHDSACASA-N 1 0 355.236 2.578 20 5 FFBDRO C[C@@H](Nc1ccc(C(=O)N(C)C2CC([NH3+])C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000567846545 518744499 /nfs/dbraw/zinc/74/44/99/518744499.db2.gz GQDHUQBRMYIJFE-LRVUVFPRSA-N 1 0 369.425 2.725 20 5 FFBDRO COC(=O)c1ccccc1OCCN1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000579651220 518783252 /nfs/dbraw/zinc/78/32/52/518783252.db2.gz WZKINPUKSMPKSE-UHFFFAOYSA-N 1 0 372.377 2.655 20 5 FFBDRO CN(C)c1noc([C@@H]2CCC[N@H+](C/C=C\c3ccccc3[N+](=O)[O-])C2)n1 ZINC000588600588 518788623 /nfs/dbraw/zinc/78/86/23/518788623.db2.gz GDOHAWULFYCOEM-GTBONMDNSA-N 1 0 357.414 2.937 20 5 FFBDRO C[C@]1(NC(=O)COc2ccccc2[N+](=O)[O-])CC[N@H+](Cc2ccccc2)C1 ZINC000568011307 518830705 /nfs/dbraw/zinc/83/07/05/518830705.db2.gz JCOQRJPOQFOKEA-FQEVSTJZSA-N 1 0 369.421 2.754 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@@H]2CSc3ccccc32)c1 ZINC000576980154 518859559 /nfs/dbraw/zinc/85/95/59/518859559.db2.gz SNTRUOOCJHYECK-UKRRQHHQSA-N 1 0 360.435 2.814 20 5 FFBDRO COc1cc(C[NH2+]C[C@@H](CO)c2ccc(Cl)cc2)c([N+](=O)[O-])cc1O ZINC000588930055 518871836 /nfs/dbraw/zinc/87/18/36/518871836.db2.gz HPLCPYBVDCYDEO-ZDUSSCGKSA-N 1 0 366.801 2.828 20 5 FFBDRO C[C@@H]1C[C@@H](C)N(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000579823982 518873144 /nfs/dbraw/zinc/87/31/44/518873144.db2.gz RQRVXMGECLMRQK-GMTAPVOTSA-N 1 0 370.247 2.803 20 5 FFBDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CCCOc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000588979270 518886835 /nfs/dbraw/zinc/88/68/35/518886835.db2.gz JHIXLBWARJNYAN-IPELMVKDSA-N 1 0 361.442 2.600 20 5 FFBDRO C[C@@H](C[NH+](C)C)NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000582717184 518888441 /nfs/dbraw/zinc/88/84/41/518888441.db2.gz HDBVGPXEFRHIJH-AWEZNQCLSA-N 1 0 356.426 2.887 20 5 FFBDRO CCC[C@H](O)[C@@H](CO)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000579936438 518928135 /nfs/dbraw/zinc/92/81/35/518928135.db2.gz RZYQNHHCPCCYIG-CVEARBPZSA-N 1 0 350.440 2.935 20 5 FFBDRO CC[NH+](CC)[C@H](CNc1nc(C(=O)OC)ccc1[N+](=O)[O-])c1ccco1 ZINC000582803075 518929133 /nfs/dbraw/zinc/92/91/33/518929133.db2.gz SNDCQRXTGFHMMJ-CQSZACIVSA-N 1 0 362.386 2.864 20 5 FFBDRO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000577161505 518943047 /nfs/dbraw/zinc/94/30/47/518943047.db2.gz IRNYTKDHRMLOTB-GFCCVEGCSA-N 1 0 353.369 2.502 20 5 FFBDRO COc1ccccc1OCC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000565520178 518995908 /nfs/dbraw/zinc/99/59/08/518995908.db2.gz YPELJBVQCLVOHA-CABCVRRESA-N 1 0 360.414 2.952 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[NH+](C3CCCCC3)CC2)c1 ZINC000589494308 519016448 /nfs/dbraw/zinc/01/64/48/519016448.db2.gz NOSQNSVIELXAEC-UHFFFAOYSA-N 1 0 361.442 2.832 20 5 FFBDRO CCc1cc(NC[C@@H]2CC[N@@H+](C3CC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000565559193 519017496 /nfs/dbraw/zinc/01/74/96/519017496.db2.gz SIQYREIKYIIJPJ-AWEZNQCLSA-N 1 0 367.453 2.932 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(C[NH+](C)C)cc2)c1 ZINC000571302068 519028378 /nfs/dbraw/zinc/02/83/78/519028378.db2.gz ZGJMTIHILQYITK-UHFFFAOYSA-N 1 0 357.410 2.985 20 5 FFBDRO Cc1cccc(C2(C[NH2+]C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CCCC2)c1 ZINC000580184610 519049376 /nfs/dbraw/zinc/04/93/76/519049376.db2.gz LCHGISKUPONJSW-GOSISDBHSA-N 1 0 358.442 2.562 20 5 FFBDRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3c(F)cc([N+](=O)[O-])cc3F)[C@@H]2C1 ZINC000574236201 519053561 /nfs/dbraw/zinc/05/35/61/519053561.db2.gz SASQZYLRCNELRZ-FABXCBLPSA-N 1 0 353.369 2.610 20 5 FFBDRO C[C@H]1C[NH+](CC2CCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)C[C@H](C)O1 ZINC000574257131 519065475 /nfs/dbraw/zinc/06/54/75/519065475.db2.gz XSKXBESURGMWKC-KBPBESRZSA-N 1 0 373.457 2.797 20 5 FFBDRO O=[N+]([O-])c1cnc2ccccc2c1N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000589859450 519095185 /nfs/dbraw/zinc/09/51/85/519095185.db2.gz HTSSCNUKXBBCAZ-OAHLLOKOSA-N 1 0 356.426 2.834 20 5 FFBDRO COc1ccc(NC(=O)CC[NH2+][C@H](CO)c2ccccc2C)c([N+](=O)[O-])c1 ZINC000577468694 519095897 /nfs/dbraw/zinc/09/58/97/519095897.db2.gz ZEZWCWZLNQJZAH-QGZVFWFLSA-N 1 0 373.409 2.564 20 5 FFBDRO CC[NH2+]Cc1cccc(NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)c1 ZINC000577593902 519157441 /nfs/dbraw/zinc/15/74/41/519157441.db2.gz ZRILLVYDNFPHMB-UHFFFAOYSA-N 1 0 357.366 2.728 20 5 FFBDRO Cc1cc(N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000590134937 519158084 /nfs/dbraw/zinc/15/80/84/519158084.db2.gz HLLVBLUIRYRNTL-XJKSGUPXSA-N 1 0 373.375 2.957 20 5 FFBDRO C[C@H](O)C[N@@H+]1CCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)[C@H](C)C1 ZINC000590174896 519167218 /nfs/dbraw/zinc/16/72/18/519167218.db2.gz DFXCIZNUWNMRSN-NEPJUHHUSA-N 1 0 361.364 2.501 20 5 FFBDRO COc1ncc(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])cc1Cl ZINC000565945988 519211379 /nfs/dbraw/zinc/21/13/79/519211379.db2.gz CXYOTLMSCDTLMZ-UHFFFAOYSA-N 1 0 364.789 2.770 20 5 FFBDRO [NH3+]C[C@H]1CCCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000580538339 519227921 /nfs/dbraw/zinc/22/79/21/519227921.db2.gz XLYMVUPZUFEVLY-SECBINFHSA-N 1 0 357.208 2.560 20 5 FFBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccnn1CC[NH+](C)C ZINC000590519175 519253657 /nfs/dbraw/zinc/25/36/57/519253657.db2.gz AFUUHUKKVCNNQF-HNNXBMFYSA-N 1 0 359.430 2.560 20 5 FFBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([NH+](C)C)[C@@H]1C ZINC000590567153 519268260 /nfs/dbraw/zinc/26/82/60/519268260.db2.gz YFDBZHQPSZFUAZ-HZMBPMFUSA-N 1 0 370.247 2.830 20 5 FFBDRO COc1ccc([C@@H](CNc2ccc(N)c([N+](=O)[O-])n2)[NH+]2CCCCC2)cc1 ZINC000590569936 519270422 /nfs/dbraw/zinc/27/04/22/519270422.db2.gz RLISONUJXKXMHQ-QGZVFWFLSA-N 1 0 371.441 2.642 20 5 FFBDRO CC(C)[C@H]1C[C@H](C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCO1 ZINC000590658520 519305483 /nfs/dbraw/zinc/30/54/83/519305483.db2.gz PBKRWXHJTUKXEY-CZUORRHYSA-N 1 0 350.415 2.907 20 5 FFBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000574852947 519364152 /nfs/dbraw/zinc/36/41/52/519364152.db2.gz NFVFNFAOSSZTCP-ZDUSSCGKSA-N 1 0 352.435 2.523 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CCC2Cc3ccccc3C2)c1 ZINC000578006612 519368137 /nfs/dbraw/zinc/36/81/37/519368137.db2.gz MVCARFFNJHITLG-LJQANCHMSA-N 1 0 356.422 2.729 20 5 FFBDRO CCc1ccc(S(=O)(=O)NC2CCC(C[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000583690821 519384005 /nfs/dbraw/zinc/38/40/05/519384005.db2.gz IKAKWLJBDFDZCH-UHFFFAOYSA-N 1 0 369.487 2.556 20 5 FFBDRO O=C1COc2ccccc2N1CCC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000578247276 519496847 /nfs/dbraw/zinc/49/68/47/519496847.db2.gz QEEVARKPVRXLIL-MRXNPFEDSA-N 1 0 367.405 2.987 20 5 FFBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000578290068 519513472 /nfs/dbraw/zinc/51/34/72/519513472.db2.gz PUPSMTLGWCOOPX-OAHLLOKOSA-N 1 0 350.463 2.899 20 5 FFBDRO CC[C@@H]1CN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CC[C@H]1[NH3+] ZINC000591279353 519572722 /nfs/dbraw/zinc/57/27/22/519572722.db2.gz MMKJHNMVCDQQDF-MWLCHTKSSA-N 1 0 358.345 2.787 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]Cc1cccc(OC(F)F)c1 ZINC000566615321 519578819 /nfs/dbraw/zinc/57/88/19/519578819.db2.gz IUZAQCYQOAXWNC-ZDUSSCGKSA-N 1 0 368.336 2.726 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CC[C@H]3CC[NH2+][C@H]3C2)nc1OCc1ccccc1 ZINC000591436880 519625173 /nfs/dbraw/zinc/62/51/73/519625173.db2.gz CGIOJVLACLVBFE-CVEARBPZSA-N 1 0 354.410 2.757 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CC[C@H]3CC[NH2+][C@@H]3C2)nc1OCc1ccccc1 ZINC000591436882 519625360 /nfs/dbraw/zinc/62/53/60/519625360.db2.gz CGIOJVLACLVBFE-HZPDHXFCSA-N 1 0 354.410 2.757 20 5 FFBDRO Cn1cc(C[NH2+][C@@]2(Cc3ccc(Cl)cc3)CCCOC2)c([N+](=O)[O-])n1 ZINC000602883243 519949232 /nfs/dbraw/zinc/94/92/32/519949232.db2.gz PYUNLFMCYVPLKW-QGZVFWFLSA-N 1 0 364.833 2.863 20 5 FFBDRO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000599917361 519950157 /nfs/dbraw/zinc/95/01/57/519950157.db2.gz JIALRQNBDMQJTI-CYBMUJFWSA-N 1 0 372.347 2.697 20 5 FFBDRO Cc1csc(CC2(O)CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000602891979 519955024 /nfs/dbraw/zinc/95/50/24/519955024.db2.gz GBKBQSBBPWLKIW-UHFFFAOYSA-N 1 0 361.467 2.972 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N3CC[NH2+]CC3(C)C)cc2[N+](=O)[O-])CC1 ZINC000591678037 519995024 /nfs/dbraw/zinc/99/50/24/519995024.db2.gz HCQPJSVCNFTNCO-UHFFFAOYSA-N 1 0 360.458 2.655 20 5 FFBDRO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000600007633 519999717 /nfs/dbraw/zinc/99/97/17/519999717.db2.gz WNHAGIXWBHGTCR-UHFFFAOYSA-N 1 0 367.833 2.575 20 5 FFBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]Cc1nc([C@H]2CCCO2)n[nH]1)C1CC1 ZINC000594513910 520010920 /nfs/dbraw/zinc/01/09/20/520010920.db2.gz UUKNJLORFHAFNU-GDBMZVCRSA-N 1 0 357.414 2.675 20 5 FFBDRO CC[C@H]([NH2+]Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)[C@H]1CCCCO1 ZINC000594519454 520012735 /nfs/dbraw/zinc/01/27/35/520012735.db2.gz KUSSKLBYOYQRLP-GOEBONIOSA-N 1 0 366.414 2.584 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCc2ccc(-c3ccccc3)cc2)c1 ZINC000591756283 520024225 /nfs/dbraw/zinc/02/42/25/520024225.db2.gz VRNFRYWITRNVAU-FQEVSTJZSA-N 1 0 366.421 2.652 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ccc(CN3CC[N@@H+]4C[C@H](O)C[C@H]4C3)s2)cc1 ZINC000594614461 520056146 /nfs/dbraw/zinc/05/61/46/520056146.db2.gz WRGJIQLSZINCFF-JKSUJKDBSA-N 1 0 359.451 2.574 20 5 FFBDRO CCc1ccc([C@H](CNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)[NH+](C)C)cc1 ZINC000608811364 520135140 /nfs/dbraw/zinc/13/51/40/520135140.db2.gz NOVRHEHFZPYDKI-KRWDZBQOSA-N 1 0 373.457 2.508 20 5 FFBDRO C[N@@H+]1CCCC[C@H](CNC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000600311845 520198292 /nfs/dbraw/zinc/19/82/92/520198292.db2.gz CLNSSABWPGQLCR-LLVKDONJSA-N 1 0 357.357 2.658 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)cc1SC ZINC000609129269 520200263 /nfs/dbraw/zinc/20/02/63/520200263.db2.gz NIPQXMMHESOHIA-GFCCVEGCSA-N 1 0 367.471 2.785 20 5 FFBDRO O=C(CC[N@H+]1CCc2ccc(O)cc2CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000609133377 520200903 /nfs/dbraw/zinc/20/09/03/520200903.db2.gz UHRPKPHOOURBJW-UHFFFAOYSA-N 1 0 355.394 2.730 20 5 FFBDRO C[C@@H](CN1CCCCC1)[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000594914041 520215415 /nfs/dbraw/zinc/21/54/15/520215415.db2.gz BRDULOMZQRRHRO-HNNXBMFYSA-N 1 0 357.458 2.959 20 5 FFBDRO NC(=O)c1ccc(C[N@@H+]2CCCO[C@H](c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000609234155 520239774 /nfs/dbraw/zinc/23/97/74/520239774.db2.gz SZXPDEWFIAXIKX-SFHVURJKSA-N 1 0 355.394 2.657 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCCN(c2ncccn2)C1 ZINC000595010197 520254302 /nfs/dbraw/zinc/25/43/02/520254302.db2.gz IQCMFUSZIIRDHW-UONOGXRCSA-N 1 0 357.414 2.713 20 5 FFBDRO CC(=O)NCc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000595061561 520274552 /nfs/dbraw/zinc/27/45/52/520274552.db2.gz RHDIYWPCANMQHF-MSOLQXFVSA-N 1 0 371.441 2.701 20 5 FFBDRO CC(=O)NCc1ccc(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000595061563 520274609 /nfs/dbraw/zinc/27/46/09/520274609.db2.gz RHDIYWPCANMQHF-ROUUACIJSA-N 1 0 371.441 2.701 20 5 FFBDRO COC1CC[NH+](C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000609347111 520290104 /nfs/dbraw/zinc/29/01/04/520290104.db2.gz QXEZYJMONGSFKQ-UHFFFAOYSA-N 1 0 369.849 2.867 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CC2(O)CCC(F)(F)CC2)n1 ZINC000595093737 520291588 /nfs/dbraw/zinc/29/15/88/520291588.db2.gz OSBLESMGCZUCCL-QWHCGFSZSA-N 1 0 358.389 2.805 20 5 FFBDRO CC(C)(C)N1C[C@H](C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1=O ZINC000595102815 520294017 /nfs/dbraw/zinc/29/40/17/520294017.db2.gz METPWFHYIDCUOT-RRFJBIMHSA-N 1 0 363.462 2.512 20 5 FFBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N[C@H]3CCC[NH2+]CC3)cc2[N+](=O)[O-])C1 ZINC000592329918 520337526 /nfs/dbraw/zinc/33/75/26/520337526.db2.gz CKCOLAFRAFHIDM-INMHGKMJSA-N 1 0 374.485 2.949 20 5 FFBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N[C@@H]3CCC[NH2+]CC3)cc2[N+](=O)[O-])C1 ZINC000592329916 520337784 /nfs/dbraw/zinc/33/77/84/520337784.db2.gz CKCOLAFRAFHIDM-BFYDXBDKSA-N 1 0 374.485 2.949 20 5 FFBDRO CCN(C(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C)C1 ZINC000597944071 520342859 /nfs/dbraw/zinc/34/28/59/520342859.db2.gz BXIXLWMPDLXIKQ-NVXWUHKLSA-N 1 0 374.485 2.997 20 5 FFBDRO CCN(C(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1)[C@H]1CC[N@H+](C)C1 ZINC000597945545 520344563 /nfs/dbraw/zinc/34/45/63/520344563.db2.gz HYFJKDQNYHKUFI-LBPRGKRZSA-N 1 0 370.247 2.832 20 5 FFBDRO CCOc1ccc(C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000595219865 520355091 /nfs/dbraw/zinc/35/50/91/520355091.db2.gz AKVGWEITZYSNAG-INIZCTEOSA-N 1 0 361.442 2.845 20 5 FFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000603756467 520355219 /nfs/dbraw/zinc/35/52/19/520355219.db2.gz QQEHUXYIZRTSEZ-KBPBESRZSA-N 1 0 351.472 2.924 20 5 FFBDRO NC(=O)c1ccccc1N1CC[C@@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000609561737 520359019 /nfs/dbraw/zinc/35/90/19/520359019.db2.gz HACJVYJLZCKFKM-GMNBZTITSA-N 1 0 366.421 2.575 20 5 FFBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000595224350 520359123 /nfs/dbraw/zinc/35/91/23/520359123.db2.gz DIDCHVTZJAUSGG-DOTOQJQBSA-N 1 0 360.458 2.778 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000595228446 520362205 /nfs/dbraw/zinc/36/22/05/520362205.db2.gz AIPWCDWOGNCXSG-AWEZNQCLSA-N 1 0 362.430 2.847 20 5 FFBDRO CC(C)[C@H]([NH3+])CCNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000595231930 520363223 /nfs/dbraw/zinc/36/32/23/520363223.db2.gz ISHVQDAUCVROFQ-GFCCVEGCSA-N 1 0 359.224 2.852 20 5 FFBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000595264441 520378493 /nfs/dbraw/zinc/37/84/93/520378493.db2.gz XWECZPCTKFGLNQ-QGZVFWFLSA-N 1 0 360.458 2.559 20 5 FFBDRO CCCC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000609674923 520402598 /nfs/dbraw/zinc/40/25/98/520402598.db2.gz XNXKJMVRBOHLRV-OAHLLOKOSA-N 1 0 369.487 2.836 20 5 FFBDRO CC[NH+](CC)C[C@H](C)NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000609731545 520415887 /nfs/dbraw/zinc/41/58/87/520415887.db2.gz BELVPBBGHMZLDN-LBPRGKRZSA-N 1 0 357.838 2.864 20 5 FFBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CC[C@@H](c2ccco2)C1 ZINC000609767259 520425495 /nfs/dbraw/zinc/42/54/95/520425495.db2.gz OQAHDGFANMPEEX-CYBMUJFWSA-N 1 0 357.366 2.975 20 5 FFBDRO CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000592525608 520439330 /nfs/dbraw/zinc/43/93/30/520439330.db2.gz AUBDQKHSCBLPBM-RCLKMUNOSA-N 1 0 371.359 2.999 20 5 FFBDRO COc1ccc(CNC(=O)NCCC[N@@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000604105512 520452097 /nfs/dbraw/zinc/45/20/97/520452097.db2.gz RHBDSDJCXQHXFK-CQSZACIVSA-N 1 0 364.446 2.667 20 5 FFBDRO O=C(N[C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000592568308 520458005 /nfs/dbraw/zinc/45/80/05/520458005.db2.gz MMUNZXAKOXEFRE-LLVKDONJSA-N 1 0 368.231 2.762 20 5 FFBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1CC[NH2+]C12CCCC2 ZINC000592569990 520458666 /nfs/dbraw/zinc/45/86/66/520458666.db2.gz IXPRZJHJHNJOES-OAHLLOKOSA-N 1 0 367.833 2.808 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](CO)[C@@H](C)c1ccccc1 ZINC000613390146 520480657 /nfs/dbraw/zinc/48/06/57/520480657.db2.gz YVCXWSAZIYNERN-HNAYVOBHSA-N 1 0 371.437 2.986 20 5 FFBDRO C[C@H](c1ccccc1)[C@H](CO)[NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000613390190 520480726 /nfs/dbraw/zinc/48/07/26/520480726.db2.gz ZNSCEDMOZMZUJD-GLJUWKHASA-N 1 0 357.410 2.676 20 5 FFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC000598196122 520487371 /nfs/dbraw/zinc/48/73/71/520487371.db2.gz ZUADRTRGMPBYCZ-QGZVFWFLSA-N 1 0 368.437 2.687 20 5 FFBDRO Cc1noc(C[NH2+][C@H](C)C2CCN(CC(F)(F)F)CC2)c1[N+](=O)[O-] ZINC000595476891 520495487 /nfs/dbraw/zinc/49/54/87/520495487.db2.gz POEYLPRWWPMGSH-SECBINFHSA-N 1 0 350.341 2.644 20 5 FFBDRO COc1cc(C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)c([N+](=O)[O-])cc1F ZINC000598218079 520498924 /nfs/dbraw/zinc/49/89/24/520498924.db2.gz FDIGBFSKJPNXAJ-LBPRGKRZSA-N 1 0 365.405 2.879 20 5 FFBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000598218875 520500991 /nfs/dbraw/zinc/50/09/91/520500991.db2.gz IIXIFWQNIPYJFP-OAHLLOKOSA-N 1 0 360.458 2.920 20 5 FFBDRO CCCN(C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)[C@H]1CC[N@H+](C)C1 ZINC000592830325 520606854 /nfs/dbraw/zinc/60/68/54/520606854.db2.gz CVXXPZVDOBMGEI-KRWDZBQOSA-N 1 0 374.485 2.754 20 5 FFBDRO CC(=O)c1cc([N+](=O)[O-])ccc1OC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000601068538 520621803 /nfs/dbraw/zinc/62/18/03/520621803.db2.gz GOYQBMOSNMHCKD-FQEVSTJZSA-N 1 0 370.405 2.813 20 5 FFBDRO CCC[N@H+](C)CC(C)(C)NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000598466759 520629331 /nfs/dbraw/zinc/62/93/31/520629331.db2.gz TZDDJZSUBGGPES-UHFFFAOYSA-N 1 0 360.414 2.699 20 5 FFBDRO CCC[N@H+](C)CC(C)(C)NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000598466964 520631259 /nfs/dbraw/zinc/63/12/59/520631259.db2.gz YELAFGKWXPDAIZ-UHFFFAOYSA-N 1 0 359.430 2.631 20 5 FFBDRO CC(C)c1n[nH]c(C(=O)NC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000592881950 520631580 /nfs/dbraw/zinc/63/15/80/520631580.db2.gz PJWQHYZINHASHR-CABCVRRESA-N 1 0 371.441 2.517 20 5 FFBDRO COc1cc(C)c(C[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000601150358 520661277 /nfs/dbraw/zinc/66/12/77/520661277.db2.gz WEUAAXRWROYJJC-LJQANCHMSA-N 1 0 360.410 2.918 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000595706311 520664179 /nfs/dbraw/zinc/66/41/79/520664179.db2.gz YNJZJDVHZJIIQU-CQSZACIVSA-N 1 0 373.457 2.791 20 5 FFBDRO Cc1c(C(=O)N2CC3(CCCC3)OC[C@H]2C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000598536788 520688053 /nfs/dbraw/zinc/68/80/53/520688053.db2.gz WVYHJAGBLGSPBW-OAHLLOKOSA-N 1 0 361.442 2.619 20 5 FFBDRO Cc1cc(N2CCC(CCO)(CCO)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000601228148 520698541 /nfs/dbraw/zinc/69/85/41/520698541.db2.gz XLOBYAJSQPNYJS-UHFFFAOYSA-N 1 0 359.426 2.803 20 5 FFBDRO C[C@@H]1C[NH+](C[C@H]2CCCN2Cc2ccc([N+](=O)[O-])cc2F)C[C@@H](C)O1 ZINC000610476286 520704354 /nfs/dbraw/zinc/70/43/54/520704354.db2.gz VASYXCZOHKUADB-CKEIUWERSA-N 1 0 351.422 2.808 20 5 FFBDRO COc1cc(C[N@@H+]2C[C@H]3COC[C@@]3(C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000595761038 520705320 /nfs/dbraw/zinc/70/53/20/520705320.db2.gz WDTMZBLQVKFLSJ-MEDUHNTESA-N 1 0 358.341 2.673 20 5 FFBDRO CC[C@@H]1C[N@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])[C@H](CC)CO1 ZINC000593059999 520715555 /nfs/dbraw/zinc/71/55/55/520715555.db2.gz VAWQTONCGXKLJK-ZIAGYGMSSA-N 1 0 365.430 2.821 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+](CCN1CCOCC1)CC1CC1 ZINC000595808981 520739014 /nfs/dbraw/zinc/73/90/14/520739014.db2.gz QBJSOXUETWJDJL-UHFFFAOYSA-N 1 0 353.850 2.792 20 5 FFBDRO Cc1ccc(S(=O)(=O)N2CCC(CC[NH+](C)C)CC2)c(C)c1[N+](=O)[O-] ZINC000598608329 520740458 /nfs/dbraw/zinc/74/04/58/520740458.db2.gz RANPYYMTPOVBPG-UHFFFAOYSA-N 1 0 369.487 2.564 20 5 FFBDRO COC(=O)c1ccnc(N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000598614586 520744309 /nfs/dbraw/zinc/74/43/09/520744309.db2.gz LTOAOYBEIWCOPI-XJKSGUPXSA-N 1 0 370.409 2.709 20 5 FFBDRO Cc1ccc(S(=O)(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000598620536 520748237 /nfs/dbraw/zinc/74/82/37/520748237.db2.gz YHWWAHNJYJVWJO-CQSZACIVSA-N 1 0 369.487 2.610 20 5 FFBDRO COc1cc(C[N@@H+]2CC[C@H]3COC[C@@H]3C2)c([N+](=O)[O-])cc1OC(F)F ZINC000595830352 520753256 /nfs/dbraw/zinc/75/32/56/520753256.db2.gz KRIVLCZAEMKGJG-JQWIXIFHSA-N 1 0 358.341 2.673 20 5 FFBDRO [NH3+][C@@]12CCC[C@@H]1CN(C(=O)c1csc(-c3cccc([N+](=O)[O-])c3)n1)C2 ZINC000598669049 520776676 /nfs/dbraw/zinc/77/66/76/520776676.db2.gz GWASPNKZMLUQHT-SJKOYZFVSA-N 1 0 358.423 2.672 20 5 FFBDRO COc1cc(CN2C[C@H]3CCC[C@@]3([NH3+])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000598684401 520786139 /nfs/dbraw/zinc/78/61/39/520786139.db2.gz WTSSYMUKMFSGGP-BDJLRTHQSA-N 1 0 357.357 2.518 20 5 FFBDRO [NH3+][C@@H]1CCc2ccccc2N(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000595904001 520809915 /nfs/dbraw/zinc/80/99/15/520809915.db2.gz LWTADIILFVMPST-OAHLLOKOSA-N 1 0 365.393 2.925 20 5 FFBDRO C[C@@H]1C[N@H+](C)[C@H](C)[C@H](C)N1C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000593189118 520813042 /nfs/dbraw/zinc/81/30/42/520813042.db2.gz IKUCMWTYZNDHMR-MXWKQRLJSA-N 1 0 357.357 2.749 20 5 FFBDRO COc1ccc(OCC[N@H+]2C[C@]34COC[C@@]3(C2)CCCC4)c([N+](=O)[O-])c1 ZINC000595908907 520813811 /nfs/dbraw/zinc/81/38/11/520813811.db2.gz JJIJIWUUSNXFPF-KDURUIRLSA-N 1 0 362.426 2.875 20 5 FFBDRO Cc1cc(C(=O)N2CC[C@H](OCC[NH+]3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000610733135 520820640 /nfs/dbraw/zinc/82/06/40/520820640.db2.gz HFTBNDFJIDEDLR-KRWDZBQOSA-N 1 0 361.442 2.620 20 5 FFBDRO Cc1c(C(=O)N2CC[C@H](OCC[NH+]3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000610733126 520820836 /nfs/dbraw/zinc/82/08/36/520820836.db2.gz AXFIGCSAVZFGNW-INIZCTEOSA-N 1 0 361.442 2.620 20 5 FFBDRO COc1cc(C(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)cc([N+](=O)[O-])c1C ZINC000595935594 520831947 /nfs/dbraw/zinc/83/19/47/520831947.db2.gz GCBMTRFLYGXXSM-OAHLLOKOSA-N 1 0 361.442 2.764 20 5 FFBDRO C[NH2+]C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(OC)cc1 ZINC000595983495 520844949 /nfs/dbraw/zinc/84/49/49/520844949.db2.gz PKAGDOYVCGCANM-GFCCVEGCSA-N 1 0 359.382 2.733 20 5 FFBDRO NC(=O)c1cc(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)ccc1[N+](=O)[O-] ZINC000596065185 520889925 /nfs/dbraw/zinc/88/99/25/520889925.db2.gz FWYNTOFARVHQQQ-UHFFFAOYSA-N 1 0 372.400 2.545 20 5 FFBDRO CC[NH+]1CCN([C@H](C)CNc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000596077049 520897207 /nfs/dbraw/zinc/89/72/07/520897207.db2.gz GVWPFDFQDUVSOA-GFCCVEGCSA-N 1 0 371.279 2.795 20 5 FFBDRO C[NH2+]Cc1ccccc1CN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000593321287 520907958 /nfs/dbraw/zinc/90/79/58/520907958.db2.gz HQJFXRFWABAFGL-LJQANCHMSA-N 1 0 365.437 2.927 20 5 FFBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+][C@@H]1CCc3cc(O)ccc3C1)OCCO2 ZINC000618197806 520929749 /nfs/dbraw/zinc/92/97/49/520929749.db2.gz AFQSNBMSWMGQDF-OAHLLOKOSA-N 1 0 356.378 2.719 20 5 FFBDRO C[N@H+](CCC(=O)N[C@](C)(CO)c1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000601779308 520946953 /nfs/dbraw/zinc/94/69/53/520946953.db2.gz PHLNBCOHEFMWIU-LJQANCHMSA-N 1 0 363.458 2.573 20 5 FFBDRO C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)C[N@@H+]1Cc1ccccc1 ZINC000596163475 520947641 /nfs/dbraw/zinc/94/76/41/520947641.db2.gz VMFJCWQTRWNBFJ-CZUORRHYSA-N 1 0 354.410 2.769 20 5 FFBDRO O=c1[nH]ccc(NCCc2ccc(OCC[NH+]3CCCC3)cc2)c1[N+](=O)[O-] ZINC000596185805 520959905 /nfs/dbraw/zinc/95/99/05/520959905.db2.gz RJBXJNPTUQFJPQ-UHFFFAOYSA-N 1 0 372.425 2.825 20 5 FFBDRO O=C(NCCc1ccccc1[N+](=O)[O-])NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000598994719 520968259 /nfs/dbraw/zinc/96/82/59/520968259.db2.gz HSJMIJIPZNUGBX-QGZVFWFLSA-N 1 0 360.458 2.844 20 5 FFBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596218887 520977735 /nfs/dbraw/zinc/97/77/35/520977735.db2.gz NGNUZEYLAQDVMC-SUMWQHHRSA-N 1 0 354.410 2.626 20 5 FFBDRO O=[N+]([O-])c1ccc2[nH]c(CN3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)nc2c1 ZINC000618288438 520983154 /nfs/dbraw/zinc/98/31/54/520983154.db2.gz PURCUXIFKJLTOG-ACJLOTCBSA-N 1 0 355.442 2.920 20 5 FFBDRO O=[N+]([O-])c1ccc(OCCC[NH2+][C@@H]2CCCC[C@H]2N2CCOCC2)cc1 ZINC000618308114 520990484 /nfs/dbraw/zinc/99/04/84/520990484.db2.gz SLHAUCBWAHWWBN-RTBURBONSA-N 1 0 363.458 2.597 20 5 FFBDRO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2c2ncnc3ccc([N+](=O)[O-])cc32)C[C@H](C)O1 ZINC000614517848 521005047 /nfs/dbraw/zinc/00/50/47/521005047.db2.gz BWTBAAPNIBTWLK-LZWOXQAQSA-N 1 0 371.441 2.616 20 5 FFBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599057614 521005689 /nfs/dbraw/zinc/00/56/89/521005689.db2.gz QGNOYEVHWWLEJB-NSHDSACASA-N 1 0 370.247 2.962 20 5 FFBDRO C[N@@H+]1CCCC[C@H]1CN1CCN(c2ccnc3cc([N+](=O)[O-])ccc32)CC1 ZINC000593463436 521009387 /nfs/dbraw/zinc/00/93/87/521009387.db2.gz VIIQRIMMHSRSFS-KRWDZBQOSA-N 1 0 369.469 2.749 20 5 FFBDRO Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)N(C)CCCC[NH+](C)C)c1 ZINC000593477684 521019832 /nfs/dbraw/zinc/01/98/32/521019832.db2.gz HAGRXFWBXATOTO-UHFFFAOYSA-N 1 0 373.457 2.562 20 5 FFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCC([NH+]2CCOCC2)CC1 ZINC000599106173 521034953 /nfs/dbraw/zinc/03/49/53/521034953.db2.gz UANVEFQEODDBOX-UHFFFAOYSA-N 1 0 359.348 2.915 20 5 FFBDRO [NH3+]C[C@H]1CCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c2ccccc21 ZINC000601963030 521044763 /nfs/dbraw/zinc/04/47/63/521044763.db2.gz JFAYDDWPNKYCKD-AUUYWEPGSA-N 1 0 366.421 2.653 20 5 FFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000601977188 521053608 /nfs/dbraw/zinc/05/36/08/521053608.db2.gz RZXZHMTZTGGZBX-QWHCGFSZSA-N 1 0 351.472 2.970 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2ccc(CN3CC[NH+]([C@H]4CCC[C@@H]4O)CC3)o2)c1 ZINC000611268439 521067828 /nfs/dbraw/zinc/06/78/28/521067828.db2.gz NSODBVUTMAMJIO-OALUTQOASA-N 1 0 371.437 2.886 20 5 FFBDRO CCc1nn(C)c(NCC2CC[NH+](Cc3ccncc3)CC2)c1[N+](=O)[O-] ZINC000596439765 521071328 /nfs/dbraw/zinc/07/13/28/521071328.db2.gz FOIKGXZFTNWVAQ-UHFFFAOYSA-N 1 0 358.446 2.610 20 5 FFBDRO CCc1nn(C)c(N2CC[C@@H]([N@H+](C)CCc3ccccc3)C2)c1[N+](=O)[O-] ZINC000596462834 521085836 /nfs/dbraw/zinc/08/58/36/521085836.db2.gz UVICJZPARVXYHO-MRXNPFEDSA-N 1 0 357.458 2.644 20 5 FFBDRO Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)N[C@@H](C)C[N@H+](C)C(C)C)c1 ZINC000593721642 521175385 /nfs/dbraw/zinc/17/53/85/521175385.db2.gz WPHJHBPPGCPCQH-AWEZNQCLSA-N 1 0 373.457 2.607 20 5 FFBDRO C[N@@H+]1C[C@@H](CNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000593750924 521192109 /nfs/dbraw/zinc/19/21/09/521192109.db2.gz CXQHUCQLMFDHAR-AEFFLSMTSA-N 1 0 371.412 2.738 20 5 FFBDRO C[NH2+]Cc1ccccc1CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000593914438 521288095 /nfs/dbraw/zinc/28/80/95/521288095.db2.gz LDXBBLSQIJGREW-UHFFFAOYSA-N 1 0 354.410 2.819 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)NCCC3(C[NH3+])CC3)cc2[N+](=O)[O-])C1 ZINC000593914374 521289019 /nfs/dbraw/zinc/28/90/19/521289019.db2.gz JHYLYEKQMSHANQ-CQSZACIVSA-N 1 0 360.458 2.690 20 5 FFBDRO C[NH2+]Cc1ccccc1CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000593914753 521289192 /nfs/dbraw/zinc/28/91/92/521289192.db2.gz QSEFCXCYZDMRDM-UHFFFAOYSA-N 1 0 368.437 2.844 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000599587992 521312119 /nfs/dbraw/zinc/31/21/19/521312119.db2.gz NCHSQHDDHBCFAW-JQWIXIFHSA-N 1 0 360.336 2.894 20 5 FFBDRO CC1(C)[C@H](c2cccc(F)c2)CC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000599629784 521342562 /nfs/dbraw/zinc/34/25/62/521342562.db2.gz MHPFWEWUHGKZAV-SJORKVTESA-N 1 0 362.405 2.559 20 5 FFBDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000602434695 521344012 /nfs/dbraw/zinc/34/40/12/521344012.db2.gz OGPHTLHYSCWGKV-LLVKDONJSA-N 1 0 358.236 2.803 20 5 FFBDRO CCC(C)(C)[NH+]1CCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000594021289 521354350 /nfs/dbraw/zinc/35/43/50/521354350.db2.gz SDDNQIIXAFTEGT-KRWDZBQOSA-N 1 0 360.458 2.506 20 5 FFBDRO Cn1cc(CN2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c([N+](=O)[O-])n1 ZINC000602481693 521371080 /nfs/dbraw/zinc/37/10/80/521371080.db2.gz CTQRBOLFCYRHCI-MJGOQNOKSA-N 1 0 369.469 2.815 20 5 FFBDRO C[C@H]1CN(c2ccc(C[NH2+]CCc3ccc([N+](=O)[O-])cc3)cn2)C[C@H](C)O1 ZINC000602516050 521389353 /nfs/dbraw/zinc/38/93/53/521389353.db2.gz WJORXQLUSMRJML-HOTGVXAUSA-N 1 0 370.453 2.936 20 5 FFBDRO Cn1cc(CCC[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)cn1 ZINC000602526267 521395177 /nfs/dbraw/zinc/39/51/77/521395177.db2.gz GRASWSLFRNCNRD-UHFFFAOYSA-N 1 0 359.249 2.875 20 5 FFBDRO COCC[NH+]1CCC(NCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602533403 521398802 /nfs/dbraw/zinc/39/88/02/521398802.db2.gz XVMIMBSAUIUZKA-UHFFFAOYSA-N 1 0 361.364 2.814 20 5 FFBDRO CCO[C@H](CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C(C)C ZINC000602569700 521415221 /nfs/dbraw/zinc/41/52/21/521415221.db2.gz RLWYSQQFEVFTRD-QGZVFWFLSA-N 1 0 350.463 2.999 20 5 FFBDRO C[C@H]1C[C@H](NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC[N@@H+]1C ZINC000607688858 521430344 /nfs/dbraw/zinc/43/03/44/521430344.db2.gz YRGSADQOVQSAEQ-JKSUJKDBSA-N 1 0 363.461 2.754 20 5 FFBDRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000602599503 521432957 /nfs/dbraw/zinc/43/29/57/521432957.db2.gz QOVXGYAJYGCEDC-KNCOVGOOSA-N 1 0 360.458 2.639 20 5 FFBDRO C[NH+]1CCC(C)(CNC(=O)c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000599741337 521440726 /nfs/dbraw/zinc/44/07/26/521440726.db2.gz KQDZAFXKYGELDS-UHFFFAOYSA-N 1 0 370.247 2.819 20 5 FFBDRO O=C1[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CCN1Cc1ccc(F)cc1 ZINC000602632471 521447180 /nfs/dbraw/zinc/44/71/80/521447180.db2.gz ULDQNSKDRHYAAU-GOSISDBHSA-N 1 0 357.385 2.667 20 5 FFBDRO CO[C@H](CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C(F)(F)F ZINC000602632596 521447655 /nfs/dbraw/zinc/44/76/55/521447655.db2.gz XXVNXJZKEOPNHV-CYBMUJFWSA-N 1 0 362.352 2.516 20 5 FFBDRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000594198701 521465108 /nfs/dbraw/zinc/46/51/08/521465108.db2.gz VCPGVBPGRAHVAS-HZPDHXFCSA-N 1 0 369.425 2.527 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@H]3COc4ccccc43)CC2)cn1 ZINC000602662082 521466441 /nfs/dbraw/zinc/46/64/41/521466441.db2.gz DFEYBZRBBAIZBP-AWEZNQCLSA-N 1 0 354.410 2.724 20 5 FFBDRO CO[C@@H]1COCC[C@H]1C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602674970 521472893 /nfs/dbraw/zinc/47/28/93/521472893.db2.gz IUQFYVCQJKVCIA-GZMMTYOYSA-N 1 0 365.249 2.560 20 5 FFBDRO CCN(CCC[NH+](C)C)C(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599809852 521486090 /nfs/dbraw/zinc/48/60/90/521486090.db2.gz XTFYRTQDVOVKEL-UHFFFAOYSA-N 1 0 358.236 2.771 20 5 FFBDRO CO[C@H](C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)[C@H]1CCOC1 ZINC000602704997 521486561 /nfs/dbraw/zinc/48/65/61/521486561.db2.gz JGWNORXICLPFSJ-GZMMTYOYSA-N 1 0 365.249 2.560 20 5 FFBDRO C[C@@H](CN1CCC(C)CC1)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602717564 521493382 /nfs/dbraw/zinc/49/33/82/521493382.db2.gz LUHJNMYTBXDJSB-INIZCTEOSA-N 1 0 361.490 2.669 20 5 FFBDRO Nc1c(NC(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)cc(Cl)cc1[N+](=O)[O-] ZINC000597091984 521498261 /nfs/dbraw/zinc/49/82/61/521498261.db2.gz HULQDHKBQILLKA-WCQYABFASA-N 1 0 367.837 2.969 20 5 FFBDRO Nc1c(NC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cc(Cl)cc1[N+](=O)[O-] ZINC000597095383 521501832 /nfs/dbraw/zinc/50/18/32/521501832.db2.gz UTKROOPQPRWJIG-LBPRGKRZSA-N 1 0 367.837 2.923 20 5 FFBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)C1 ZINC000597105078 521509494 /nfs/dbraw/zinc/50/94/94/521509494.db2.gz VYUWPAAJCQLOQU-SNVBAGLBSA-N 1 0 355.826 2.636 20 5 FFBDRO C[C@H](NC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N)C(C)(C)C[NH+](C)C ZINC000597105901 521511014 /nfs/dbraw/zinc/51/10/14/521511014.db2.gz ZJIWNUONADEYLN-VIFPVBQESA-N 1 0 357.842 2.928 20 5 FFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CCCc2c1cnn2CCO ZINC000615720638 521511884 /nfs/dbraw/zinc/51/18/84/521511884.db2.gz ZSPPAZDICIGKBJ-MDNBWPLSSA-N 1 0 356.426 2.854 20 5 FFBDRO [NH3+]CCN(Cc1ccc(O[C@H]2CCOC2)cc1)c1ccccc1[N+](=O)[O-] ZINC000597126687 521524104 /nfs/dbraw/zinc/52/41/04/521524104.db2.gz GYVZSLZAFFXRJX-KRWDZBQOSA-N 1 0 357.410 2.728 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CCN1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000602780796 521529707 /nfs/dbraw/zinc/52/97/07/521529707.db2.gz SAGKIMRKFKBXAZ-INIZCTEOSA-N 1 0 357.458 2.696 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CCN(Cc1ccccc1)C[C@@H](O)C(F)(F)F ZINC000602806005 521544047 /nfs/dbraw/zinc/54/40/47/521544047.db2.gz KPQPQKDQOYOVKD-CQSZACIVSA-N 1 0 372.347 2.525 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CC[C@@H](Cn4ccnn4)C3)cs2)c1 ZINC000597173167 521554745 /nfs/dbraw/zinc/55/47/45/521554745.db2.gz FQGSFOMVJGRBCX-CYBMUJFWSA-N 1 0 370.438 2.832 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CCN1CC[N@H+](Cc2ccccc2)C[C@H](C)C1 ZINC000602838363 521561740 /nfs/dbraw/zinc/56/17/40/521561740.db2.gz CYZNXBCUCNAVAB-MRXNPFEDSA-N 1 0 357.458 2.554 20 5 FFBDRO COCC[N@@H+]1CCC[C@H](Nc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)C1 ZINC000619527046 521752432 /nfs/dbraw/zinc/75/24/32/521752432.db2.gz FUPHZHHPJJXARY-INIZCTEOSA-N 1 0 374.416 2.741 20 5 FFBDRO COc1cccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])n2C)[NH+]2CCCC2)c1 ZINC000619525432 521752703 /nfs/dbraw/zinc/75/27/03/521752703.db2.gz ZGZYXUDQLPWIDX-QGZVFWFLSA-N 1 0 372.425 2.509 20 5 FFBDRO C[NH+]1CCC(n2ccc(=NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)[nH]2)CC1 ZINC000490006923 561424540 /nfs/dbraw/zinc/42/45/40/561424540.db2.gz UEFXNEHGTHOUFM-UHFFFAOYSA-N 1 0 371.441 2.974 20 5 FFBDRO Cc1c(CNC(=O)N=c2ccn(C3CC[NH+](C)CC3)[nH]2)cccc1[N+](=O)[O-] ZINC000491429135 561445430 /nfs/dbraw/zinc/44/54/30/561445430.db2.gz HIYAIJUBPSVBKZ-UHFFFAOYSA-N 1 0 372.429 2.688 20 5 FFBDRO C[NH+]1CCC(n2ccc(=NC(=O)C(C)(C)c3ccccc3[N+](=O)[O-])[nH]2)CC1 ZINC000508861365 561775671 /nfs/dbraw/zinc/77/56/71/561775671.db2.gz ULMIALYPUGDSSQ-UHFFFAOYSA-N 1 0 371.441 2.974 20 5 FFBDRO [NH3+]C1([C@H]2CN(C(F)(F)c3ccc([N+](=O)[O-])c(Cl)n3)C[C@H]2CF)CC1 ZINC001164628853 719117287 /nfs/dbraw/zinc/11/72/87/719117287.db2.gz PBFYZOMLCVHQBC-BDAKNGLRSA-N 1 0 364.755 2.701 20 5 FFBDRO Cc1ccnc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164899729 721521429 /nfs/dbraw/zinc/52/14/29/721521429.db2.gz LYRBLYQERJPRDH-WBVHZDCISA-N 1 0 372.400 2.779 20 5 FFBDRO COC(=O)c1cnc(N2CCCC[C@H]2CC[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC001165048941 721968060 /nfs/dbraw/zinc/96/80/60/721968060.db2.gz PTODDAZAYVHXQN-HNNXBMFYSA-N 1 0 362.430 2.621 20 5 FFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCc3ncc(Br)n3C2)cc1 ZINC000898721270 735399375 /nfs/dbraw/zinc/39/93/75/735399375.db2.gz RWSMBUBYIRERGO-LBPRGKRZSA-N 1 0 365.231 2.701 20 5 FFBDRO O=C(CC[NH+]1CCN(c2cccs2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000121409280 728626244 /nfs/dbraw/zinc/62/62/44/728626244.db2.gz FOBKXHQMOMGTBV-UHFFFAOYSA-N 1 0 360.439 2.807 20 5 FFBDRO COc1ccc(C[N@H+](C)CCCNC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000125230975 728680859 /nfs/dbraw/zinc/68/08/59/728680859.db2.gz HWVCHPCJQRLABC-UHFFFAOYSA-N 1 0 353.419 2.950 20 5 FFBDRO O=C(c1cc(F)c(F)cc1[N+](=O)[O-])N1CC[NH+](C2CCCCC2)CC1 ZINC000151844658 728747032 /nfs/dbraw/zinc/74/70/32/728747032.db2.gz BLWBQJQYRRRWHX-UHFFFAOYSA-N 1 0 353.369 2.964 20 5 FFBDRO Cc1cnc(CCN(C)Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)s1 ZINC000165202442 728971661 /nfs/dbraw/zinc/97/16/61/728971661.db2.gz RFPULNISTNIXNQ-UHFFFAOYSA-N 1 0 358.427 2.750 20 5 FFBDRO COc1cccc(C(=O)N(CC[NH+](C)C)Cc2cccs2)c1[N+](=O)[O-] ZINC000194627815 729516100 /nfs/dbraw/zinc/51/61/00/729516100.db2.gz JJUWATDHONBKGS-UHFFFAOYSA-N 1 0 363.439 2.869 20 5 FFBDRO CC[N@H+](C)C[C@@H]1CCN([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000245431404 729569965 /nfs/dbraw/zinc/56/99/65/729569965.db2.gz ASEBSZALYGYAPA-OLZOCXBDSA-N 1 0 368.865 2.849 20 5 FFBDRO C[N@@H+]1CCN(CCNc2cccc(Br)c2[N+](=O)[O-])CC1(C)C ZINC000856751959 730354876 /nfs/dbraw/zinc/35/48/76/730354876.db2.gz QYBFDVGPUDGJJI-UHFFFAOYSA-N 1 0 371.279 2.795 20 5 FFBDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000859667248 730462397 /nfs/dbraw/zinc/46/23/97/730462397.db2.gz CUYUCJGZOVHNTI-WDEREUQCSA-N 1 0 357.208 2.619 20 5 FFBDRO CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)C[C@H]1[NH+](C)C ZINC000860447562 730512811 /nfs/dbraw/zinc/51/28/11/730512811.db2.gz QRVCDPQNTSUOBG-SJORKVTESA-N 1 0 359.451 2.866 20 5 FFBDRO O=C1[C@@H](c2ccc([N+](=O)[O-])cc2)CCN1C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000863295308 730765382 /nfs/dbraw/zinc/76/53/82/730765382.db2.gz XIDKYSIKYGFDTF-IXDOHACOSA-N 1 0 361.467 2.838 20 5 FFBDRO O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)NCCC[NH+]1CCCC1 ZINC000864588188 730862331 /nfs/dbraw/zinc/86/23/31/730862331.db2.gz SOLPURCVULXSMS-UHFFFAOYSA-N 1 0 370.247 2.502 20 5 FFBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000864611048 730865173 /nfs/dbraw/zinc/86/51/73/730865173.db2.gz ZRYKAGYBNREPDM-GFCCVEGCSA-N 1 0 370.247 2.500 20 5 FFBDRO O=[N+]([O-])c1ccc(Cl)c(Cl)c1N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000865955585 731015380 /nfs/dbraw/zinc/01/53/80/731015380.db2.gz HILXMGIOXLZXFQ-NSHDSACASA-N 1 0 360.241 2.937 20 5 FFBDRO CCOC(=O)N1CCC([NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000866224036 731042025 /nfs/dbraw/zinc/04/20/25/731042025.db2.gz OKLDZUVQHWVYBD-GFCCVEGCSA-N 1 0 353.394 2.875 20 5 FFBDRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Br)cc1[N+](=O)[O-] ZINC000870974308 731582356 /nfs/dbraw/zinc/58/23/56/731582356.db2.gz JOHOAAHUZKWOAQ-YHPBZONMSA-N 1 0 368.231 2.618 20 5 FFBDRO C[C@H](NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872048002 731724005 /nfs/dbraw/zinc/72/40/05/731724005.db2.gz GAJRPLCBKDEVOK-MJEQTWJJSA-N 1 0 351.422 2.762 20 5 FFBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC000872052689 731724432 /nfs/dbraw/zinc/72/44/32/731724432.db2.gz GDXYWVYTFJFZKV-LNSITVRQSA-N 1 0 367.471 2.603 20 5 FFBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCCN(CCCO)C1 ZINC000872074120 731726660 /nfs/dbraw/zinc/72/66/60/731726660.db2.gz BQHGKSLTHQVYCY-KBPBESRZSA-N 1 0 353.488 2.814 20 5 FFBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCCN(CCCO)C1 ZINC000872074123 731726695 /nfs/dbraw/zinc/72/66/95/731726695.db2.gz BQHGKSLTHQVYCY-ZIAGYGMSSA-N 1 0 353.488 2.814 20 5 FFBDRO C[C@H]([NH2+]C1CCC(CS(C)(=O)=O)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872075710 731727340 /nfs/dbraw/zinc/72/73/40/731727340.db2.gz UOVLAJFSPNKNNC-HIFPTAJRSA-N 1 0 358.435 2.988 20 5 FFBDRO Cc1cc(F)cc(C(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000877016565 732312173 /nfs/dbraw/zinc/31/21/73/732312173.db2.gz OCGVNLGWKDQURU-JOYOIKCWSA-N 1 0 363.311 2.642 20 5 FFBDRO C[C@@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)[C@H](O)c1c(F)cccc1Cl ZINC000877069025 732320972 /nfs/dbraw/zinc/32/09/72/732320972.db2.gz VZWGGCHTNFDPBN-JJXUGKQBSA-N 1 0 368.796 2.999 20 5 FFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@@H](OC3CCCC3)C(F)(F)F)C2)c1 ZINC000877623868 732400568 /nfs/dbraw/zinc/40/05/68/732400568.db2.gz CNTXPBYMFQEXPK-QIMFLAQGSA-N 1 0 362.352 2.975 20 5 FFBDRO C[NH+](C)CC(C)(C)NCc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000878695987 732579080 /nfs/dbraw/zinc/57/90/80/732579080.db2.gz CQHYBXINWWRRLG-UHFFFAOYSA-N 1 0 353.810 2.728 20 5 FFBDRO CO[C@H]1COCC[C@H]1[N@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000880435217 732907672 /nfs/dbraw/zinc/90/76/72/732907672.db2.gz KGUYBUYTQIPRKJ-OCCSQVGLSA-N 1 0 359.220 2.593 20 5 FFBDRO CC(C)(C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])CS(C)(=O)=O ZINC000926954580 738673537 /nfs/dbraw/zinc/67/35/37/738673537.db2.gz VDPYMRJRXMBKDJ-ZBFHGGJFSA-N 1 0 368.499 2.966 20 5 FFBDRO CN(C)[C@H](CC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)C(F)(F)F ZINC000926964506 738675052 /nfs/dbraw/zinc/67/50/52/738675052.db2.gz RTEBACBLKFFBBR-FRRDWIJNSA-N 1 0 363.384 2.747 20 5 FFBDRO C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)CC[N@@H+]1CC(C)(C)O ZINC000782031805 738681665 /nfs/dbraw/zinc/68/16/65/738681665.db2.gz MBGRYHWJULIUBJ-LLVKDONJSA-N 1 0 370.837 2.557 20 5 FFBDRO CC1(C)C[C@H]([NH2+]CC[C@H]2CCCS2(=O)=O)c2cc([N+](=O)[O-])ccc21 ZINC000883308117 733365924 /nfs/dbraw/zinc/36/59/24/733365924.db2.gz IIVZVLYBBJKWBL-CJNGLKHVSA-N 1 0 352.456 2.874 20 5 FFBDRO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N(C)CC1([NH+](C)C)CCC1 ZINC000782425564 738720520 /nfs/dbraw/zinc/72/05/20/738720520.db2.gz IJYKYXBGZLCFIO-UHFFFAOYSA-N 1 0 353.394 2.831 20 5 FFBDRO C[N@H+](Cc1cccnc1[N+](=O)[O-])C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000886032627 733741784 /nfs/dbraw/zinc/74/17/84/733741784.db2.gz KETBSQZMNPJCCP-UHFFFAOYSA-N 1 0 350.419 2.821 20 5 FFBDRO COc1ccc(C[NH2+]C[C@@H]2CC[C@]3(CO[C@@H](C)[C@@H]3C)O2)cc1[N+](=O)[O-] ZINC000886340331 733775755 /nfs/dbraw/zinc/77/57/55/733775755.db2.gz FJZPPDNNKNFZBU-BWQRHGBYSA-N 1 0 350.415 2.666 20 5 FFBDRO CCOc1cc(NC(=O)NCC2(C)CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000888832342 734103860 /nfs/dbraw/zinc/10/38/60/734103860.db2.gz AMAIKEVSBHYKJZ-UHFFFAOYSA-N 1 0 350.419 2.847 20 5 FFBDRO C[NH+]1CCC2(CCN2C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000889221619 734154051 /nfs/dbraw/zinc/15/40/51/734154051.db2.gz MAXDLCXLVYQGHW-UHFFFAOYSA-N 1 0 357.332 2.924 20 5 FFBDRO C[C@H](C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)c1ccc([N+](=O)[O-])cc1F ZINC000928092558 738820078 /nfs/dbraw/zinc/82/00/78/738820078.db2.gz SZWPUUGGPHAJCN-IUIKQTSFSA-N 1 0 367.446 2.533 20 5 FFBDRO COc1c(O)ccc(C[NH2+][C@@H]2CCOC3(CCSCC3)C2)c1[N+](=O)[O-] ZINC000893211522 734669164 /nfs/dbraw/zinc/66/91/64/734669164.db2.gz XYAQSNQMMOQEHZ-CYBMUJFWSA-N 1 0 368.455 2.843 20 5 FFBDRO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1cc([N+](=O)[O-])ccc1Cl ZINC000734242409 734884934 /nfs/dbraw/zinc/88/49/34/734884934.db2.gz DRCSSXHAWWXUGU-AWEZNQCLSA-N 1 0 367.833 2.621 20 5 FFBDRO COc1c(O)ccc(C[NH2+]C[C@H]2CC[C@H](C(F)(F)F)O2)c1[N+](=O)[O-] ZINC000896280671 735131273 /nfs/dbraw/zinc/13/12/73/735131273.db2.gz QFODOQBWZVIMGF-MWLCHTKSSA-N 1 0 350.293 2.509 20 5 FFBDRO COc1c(O)ccc(C[NH2+]C[C@H]2CCC[C@H](C(F)(F)F)O2)c1[N+](=O)[O-] ZINC000896822165 735184869 /nfs/dbraw/zinc/18/48/69/735184869.db2.gz HSDCYCRGDBDMFC-ZYHUDNBSSA-N 1 0 364.320 2.899 20 5 FFBDRO C[NH+](C)C1CC(NC(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)C1 ZINC000897666873 735261813 /nfs/dbraw/zinc/26/18/13/735261813.db2.gz GKKRWDPORZDHMZ-UHFFFAOYSA-N 1 0 350.177 2.863 20 5 FFBDRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)C1 ZINC000897826194 735281040 /nfs/dbraw/zinc/28/10/40/735281040.db2.gz VAUXOWMCXWLPML-XVKPBYJWSA-N 1 0 362.188 2.817 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NC2CCC([NH+]3CCCCC3)CC2)s1 ZINC000751124356 735847603 /nfs/dbraw/zinc/84/76/03/735847603.db2.gz QAESKAVYRIRIDE-UHFFFAOYSA-N 1 0 373.500 2.732 20 5 FFBDRO CC[C@@H](C)[N@H+](C)CCNS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000752246172 735970846 /nfs/dbraw/zinc/97/08/46/735970846.db2.gz FQQUDHJVAHMTJA-LLVKDONJSA-N 1 0 363.867 2.565 20 5 FFBDRO C[C@H]([NH2+]CC1CCC(S(C)(=O)=O)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000903150780 736042324 /nfs/dbraw/zinc/04/23/24/736042324.db2.gz WACISGJCYQLZMW-HIFPTAJRSA-N 1 0 358.435 2.988 20 5 FFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC[C@H]1CC(=O)N(C)C1 ZINC000903216235 736057041 /nfs/dbraw/zinc/05/70/41/736057041.db2.gz XJCMARMKIAHMAI-UONOGXRCSA-N 1 0 351.472 2.924 20 5 FFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1cn(C)nc1OC ZINC000903337399 736077312 /nfs/dbraw/zinc/07/73/12/736077312.db2.gz JUVYGZHLXMYUIV-CYBMUJFWSA-N 1 0 350.444 2.997 20 5 FFBDRO O=C(C[NH2+][C@@H](CCO)c1cccs1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000754391536 736155715 /nfs/dbraw/zinc/15/57/15/736155715.db2.gz XUXKGFGTJYTRGR-LBPRGKRZSA-N 1 0 369.830 2.962 20 5 FFBDRO C[C@H]([NH2+][C@@H](C)[C@H]1CCCOC1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000754569296 736174295 /nfs/dbraw/zinc/17/42/95/736174295.db2.gz QSIPLNCYRRDGNH-SRVKXCTJSA-N 1 0 355.822 2.980 20 5 FFBDRO [NH3+]Cc1nc2c(s1)CCN(Cc1cc([N+](=O)[O-])ccc1OC(F)F)C2 ZINC000903940963 736192216 /nfs/dbraw/zinc/19/22/16/736192216.db2.gz KFANLRGSWSMUPQ-UHFFFAOYSA-N 1 0 370.381 2.670 20 5 FFBDRO C[C@@H]1C[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CC[N@@H+]1C ZINC000755012017 736226584 /nfs/dbraw/zinc/22/65/84/736226584.db2.gz CNLUUOPLFUWDBX-SCZZXKLOSA-N 1 0 374.210 2.709 20 5 FFBDRO O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1CCC[C@@]12CC[NH2+]C2 ZINC000904393006 736248356 /nfs/dbraw/zinc/24/83/56/736248356.db2.gz GNAFCAOBXKSINI-AWEZNQCLSA-N 1 0 369.219 2.717 20 5 FFBDRO CC(C)OCC[C@H](O)C[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000905429238 736339475 /nfs/dbraw/zinc/33/94/75/736339475.db2.gz YEOZDOHGDLWGPO-ZDUSSCGKSA-N 1 0 361.236 2.623 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CC1C[C@H]2CC[C@@H](C1)S2 ZINC000905509898 736348696 /nfs/dbraw/zinc/34/86/96/736348696.db2.gz PNVQPJCWCHHKJF-NUDNTCICSA-N 1 0 352.456 2.598 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@H]1CCSC2(CCC2)C1 ZINC000905600483 736367159 /nfs/dbraw/zinc/36/71/59/736367159.db2.gz LHSJLLLXOVTFJT-KBPBESRZSA-N 1 0 352.456 2.742 20 5 FFBDRO C[C@H]1CCC[N@H+](CCNC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000756919325 736373460 /nfs/dbraw/zinc/37/34/60/736373460.db2.gz ADRMRXQIABYIDE-LBPRGKRZSA-N 1 0 354.838 2.779 20 5 FFBDRO CC1(C)CC[C@H](CC[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])OC1 ZINC000905641519 736374789 /nfs/dbraw/zinc/37/47/89/736374789.db2.gz CXBQWYXYAKFPSX-LSDHHAIUSA-N 1 0 352.431 2.519 20 5 FFBDRO Nc1c(Cl)cc(C(=O)N2CCC[C@H]2C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000906459356 736505207 /nfs/dbraw/zinc/50/52/07/736505207.db2.gz LGDLQSINECHSMQ-LBPRGKRZSA-N 1 0 352.822 2.531 20 5 FFBDRO C[NH+](C)CCC1CCN(C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)CC1 ZINC000906677966 736532584 /nfs/dbraw/zinc/53/25/84/736532584.db2.gz BXMFYFHBBVHQBF-UHFFFAOYSA-N 1 0 354.838 2.634 20 5 FFBDRO C[C@@H]1C[C@H](NC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)C[N@@H+]1C1CC1 ZINC000906939496 736562712 /nfs/dbraw/zinc/56/27/12/736562712.db2.gz DCYFEJVQROUMRH-YPMHNXCESA-N 1 0 351.834 2.922 20 5 FFBDRO C[C@@H]1CCC[N@@H+]1CCNC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000760874716 736676306 /nfs/dbraw/zinc/67/63/06/736676306.db2.gz ZFEHTEQBSXZQSV-SNVBAGLBSA-N 1 0 356.220 2.571 20 5 FFBDRO C[NH+](C)CCOC1CCN(c2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000765504799 737125617 /nfs/dbraw/zinc/12/56/17/737125617.db2.gz RQRABOTYKLZQOT-UHFFFAOYSA-N 1 0 372.263 2.904 20 5 FFBDRO CCC[C@H]1CN(C(=S)Nc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1CCOC ZINC000766700064 737253677 /nfs/dbraw/zinc/25/36/77/737253677.db2.gz LVORTAAJBYWNAO-INIZCTEOSA-N 1 0 366.487 2.724 20 5 FFBDRO CN1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C(C)(C)C1 ZINC000767128934 737294603 /nfs/dbraw/zinc/29/46/03/737294603.db2.gz ODJUGWZPMMCMCO-UHFFFAOYSA-N 1 0 374.210 2.663 20 5 FFBDRO C[NH+](C)C1(C)CCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000913393112 737398257 /nfs/dbraw/zinc/39/82/57/737398257.db2.gz QPXQYEAZQKXWAQ-UHFFFAOYSA-N 1 0 357.813 2.873 20 5 FFBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000771508624 737731664 /nfs/dbraw/zinc/73/16/64/737731664.db2.gz IPXCVWRYPUIGAH-LBPRGKRZSA-N 1 0 363.443 2.594 20 5 FFBDRO CC[C@@H](CSC)[N@H+](C)CN1CCN(c2ccccc2[N+](=O)[O-])C1=O ZINC000773260626 737886186 /nfs/dbraw/zinc/88/61/86/737886186.db2.gz YNJKHTPLOSQVLX-ZDUSSCGKSA-N 1 0 352.460 2.868 20 5 FFBDRO C[C@](O)(C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)c1ccsc1 ZINC000774196281 737967664 /nfs/dbraw/zinc/96/76/64/737967664.db2.gz AEEWFRZAYOWAQT-DZKIICNBSA-N 1 0 350.444 2.834 20 5 FFBDRO C[NH+](C)CCOc1cc(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)ccn1 ZINC000776344941 738184668 /nfs/dbraw/zinc/18/46/68/738184668.db2.gz KCVGKRAHPIAHTD-UHFFFAOYSA-N 1 0 364.789 2.836 20 5 FFBDRO O=C(N1CC[C@H]([NH+]2CCCCC2)C1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778260018 738367473 /nfs/dbraw/zinc/36/74/73/738367473.db2.gz GETGTFOHMOVKBK-HNNXBMFYSA-N 1 0 353.369 2.773 20 5 FFBDRO CNC(=O)C1(NCc2cc([N+](=O)[O-])ccc2Br)CCCC1 ZINC000929981471 739044515 /nfs/dbraw/zinc/04/45/15/739044515.db2.gz QBNGCNJZAPPMIH-UHFFFAOYSA-N 1 0 356.220 2.506 20 5 FFBDRO Cc1cn2c(nc(C[N@H+](C)CCc3ccccc3[N+](=O)[O-])cc2=O)s1 ZINC000930439367 739108838 /nfs/dbraw/zinc/10/88/38/739108838.db2.gz GSTBJAGXISOIQN-UHFFFAOYSA-N 1 0 358.423 2.647 20 5 FFBDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000787304900 739124995 /nfs/dbraw/zinc/12/49/95/739124995.db2.gz SWTJWWFBKXUQRS-ZDUSSCGKSA-N 1 0 353.850 2.933 20 5 FFBDRO COc1cc(CN2CC[C@@H]([NH+](C)C)[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000931048065 739203687 /nfs/dbraw/zinc/20/36/87/739203687.db2.gz UYSJORSGQLKGOE-CMPLNLGQSA-N 1 0 359.373 2.729 20 5 FFBDRO C[NH+](C)Cc1ccc(S(=O)(=O)Oc2cc(F)ccc2[N+](=O)[O-])cc1 ZINC000788415934 739242840 /nfs/dbraw/zinc/24/28/40/739242840.db2.gz HMBXAKWWNDKYAN-UHFFFAOYSA-N 1 0 354.359 2.563 20 5 FFBDRO C[C@](CO)([NH2+]C[C@H]1CCC[C@H](C(F)(F)F)O1)c1cccc([N+](=O)[O-])c1 ZINC000931469732 739270309 /nfs/dbraw/zinc/27/03/09/739270309.db2.gz FOORVJNYBOMPLR-RBSFLKMASA-N 1 0 362.348 2.892 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2CC[C@@H](SC)C2)cc1[N+](=O)[O-] ZINC000788968343 739304175 /nfs/dbraw/zinc/30/41/75/739304175.db2.gz XAKJIUINKHDGKN-CHWSQXEVSA-N 1 0 354.428 2.520 20 5 FFBDRO C[C@@]1([C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C2)COC(=O)N1 ZINC000932017562 739373626 /nfs/dbraw/zinc/37/36/26/739373626.db2.gz WGBWHVIHDHJGND-WBMJQRKESA-N 1 0 353.806 2.959 20 5 FFBDRO C[C@@H](CN1CCOCC1)[N@H+](C)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000789763863 739386131 /nfs/dbraw/zinc/38/61/31/739386131.db2.gz RFHDTOFJYGDUQV-LBPRGKRZSA-N 1 0 372.263 2.510 20 5 FFBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000790912656 739512185 /nfs/dbraw/zinc/51/21/85/739512185.db2.gz XXEXAOOPHYJDFG-GHMZBOCLSA-N 1 0 357.813 2.871 20 5 FFBDRO CCOC(=O)C1([C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)CCOCC1 ZINC000933886074 739701276 /nfs/dbraw/zinc/70/12/76/739701276.db2.gz IVDGQXIETQOYAU-AWEZNQCLSA-N 1 0 350.415 2.741 20 5 FFBDRO C[NH+](C)[C@]1(CNC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])CCSC1 ZINC000934080444 739729868 /nfs/dbraw/zinc/72/98/68/739729868.db2.gz WSQJVFKLMCOZKZ-INIZCTEOSA-N 1 0 371.890 2.734 20 5 FFBDRO COc1ccc(C[NH2+][C@H](C)CCNC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000793607056 739799300 /nfs/dbraw/zinc/79/93/00/739799300.db2.gz ZVYFYGPJMRNDSW-GFCCVEGCSA-N 1 0 353.419 2.996 20 5 FFBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000794217156 739864353 /nfs/dbraw/zinc/86/43/53/739864353.db2.gz FGAVHPLGXMXQMY-SNVBAGLBSA-N 1 0 373.251 2.603 20 5 FFBDRO C[C@@H]([NH2+]C[C@@H](O)CCNC(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000794458969 739894237 /nfs/dbraw/zinc/89/42/37/739894237.db2.gz RMMMCHSYSNAHIB-DOMZBBRYSA-N 1 0 353.419 2.521 20 5 FFBDRO C[C@@H](NC(=O)CCc1c(Cl)cccc1[N+](=O)[O-])C1=CC[N@H+](C)CC1 ZINC000935311925 739930699 /nfs/dbraw/zinc/93/06/99/739930699.db2.gz GPVMFGRERUELMC-GFCCVEGCSA-N 1 0 351.834 2.947 20 5 FFBDRO C[C@@H]1CCC[C@@](CNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)([NH+](C)C)C1 ZINC000801834775 740656209 /nfs/dbraw/zinc/65/62/09/740656209.db2.gz VWUXRWFUPGRYSO-PIGZYNQJSA-N 1 0 352.410 2.556 20 5 FFBDRO Cn1nc(Br)cc1C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000802658396 740716084 /nfs/dbraw/zinc/71/60/84/740716084.db2.gz YSMHFRDSDQEMHO-UHFFFAOYSA-N 1 0 353.220 2.765 20 5 FFBDRO Cc1ccc(N2CC[N@H+](CCO)C(C)(C)C2)c([N+](=O)[O-])c1Br ZINC000804631435 740890649 /nfs/dbraw/zinc/89/06/49/740890649.db2.gz UWGAEIDQYHRHHT-UHFFFAOYSA-N 1 0 372.263 2.559 20 5 FFBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000806950414 741097694 /nfs/dbraw/zinc/09/76/94/741097694.db2.gz NNNQNKBIOLFADK-AWEZNQCLSA-N 1 0 354.838 2.922 20 5 FFBDRO Cc1cccc(Cl)c1C[N@H+]1CC=C(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001000673520 742093391 /nfs/dbraw/zinc/09/33/91/742093391.db2.gz FZXXHFXZPCZXHI-RHSMWYFYSA-N 1 0 363.845 2.562 20 5 FFBDRO CC[C@H]1C[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@H](CC)O1 ZINC000817280320 742116497 /nfs/dbraw/zinc/11/64/97/742116497.db2.gz CQWUJKOHGYTUTN-KBPBESRZSA-N 1 0 353.394 2.952 20 5 FFBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(C)C[C@H]1CCC[N@@H+]1C ZINC000817292261 742118845 /nfs/dbraw/zinc/11/88/45/742118845.db2.gz SCQNKSBOEBBGRS-DGCLKSJQSA-N 1 0 354.838 2.601 20 5 FFBDRO O=C(CC[N@H+]1CCC[C@H](CCO)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000817297474 742120191 /nfs/dbraw/zinc/12/01/91/742120191.db2.gz REPBZZNGEBJIEN-ZDUSSCGKSA-N 1 0 353.394 2.547 20 5 FFBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000817676528 742195129 /nfs/dbraw/zinc/19/51/29/742195129.db2.gz IMHOTVUBXUYUMU-JTQLQIEISA-N 1 0 374.210 2.663 20 5 FFBDRO C[C@H]1CC2(CN1C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])CC[NH2+]CC2 ZINC000818291617 742259079 /nfs/dbraw/zinc/25/90/79/742259079.db2.gz RNLZWQRLZMDJPL-NSHDSACASA-N 1 0 369.824 2.920 20 5 FFBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000818591704 742281239 /nfs/dbraw/zinc/28/12/39/742281239.db2.gz JOOUKFXDBXWMDF-MRXNPFEDSA-N 1 0 355.797 2.532 20 5 FFBDRO CC(C)(C)OC(=O)NC[C@@](C)(O)C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000819149689 742343981 /nfs/dbraw/zinc/34/39/81/742343981.db2.gz KWZDEGPHJGPEQB-INIZCTEOSA-N 1 0 373.837 2.614 20 5 FFBDRO C[C@@H](CCNC(=O)OC(C)(C)C)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819213208 742354852 /nfs/dbraw/zinc/35/48/52/742354852.db2.gz DIZNJSASSPNBJD-WFASDCNBSA-N 1 0 353.419 2.521 20 5 FFBDRO C[C@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819342876 742378651 /nfs/dbraw/zinc/37/86/51/742378651.db2.gz XIKUJJWCZOTVOY-HUBLWGQQSA-N 1 0 353.419 2.520 20 5 FFBDRO C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000820131716 742466135 /nfs/dbraw/zinc/46/61/35/742466135.db2.gz IPJQFQGZPSCXRK-GFCCVEGCSA-N 1 0 367.833 2.574 20 5 FFBDRO O=C(N[C@H]1CC[C@H]([NH2+]Cc2ccc(Cl)cc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001034643705 742927669 /nfs/dbraw/zinc/92/76/69/742927669.db2.gz RMRKGRKHQWHMFL-KLHDSHLOSA-N 1 0 351.834 2.522 20 5 FFBDRO Cn1ccnc1[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CCO1 ZINC000825327485 743249461 /nfs/dbraw/zinc/24/94/61/743249461.db2.gz SNSCQGQJXCRKRS-DOMZBBRYSA-N 1 0 350.806 2.992 20 5 FFBDRO Cn1ccnc1[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CCO1 ZINC000825327489 743249490 /nfs/dbraw/zinc/24/94/90/743249490.db2.gz SNSCQGQJXCRKRS-IUODEOHRSA-N 1 0 350.806 2.992 20 5 FFBDRO COCC[N@H+]1[C@H](C)CN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)C[C@@H]1C ZINC000826633223 743411485 /nfs/dbraw/zinc/41/14/85/743411485.db2.gz QJXXYZXEYRHWEL-PHIMTYICSA-N 1 0 362.352 2.554 20 5 FFBDRO C[N@@H+]1CC[C@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)CC[C@@H]21 ZINC000827254389 743542509 /nfs/dbraw/zinc/54/25/09/743542509.db2.gz PCVXXYFWNPEZTG-HZMBPMFUSA-N 1 0 357.332 2.780 20 5 FFBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])CC[C@H]21 ZINC000827286684 743548494 /nfs/dbraw/zinc/54/84/94/743548494.db2.gz HXMGZOPXZXTHMY-DGCLKSJQSA-N 1 0 369.874 2.893 20 5 FFBDRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC000828958861 745146448 /nfs/dbraw/zinc/14/64/48/745146448.db2.gz JIMTZECDEUAYGJ-HZPDHXFCSA-N 1 0 351.834 2.876 20 5 FFBDRO O=C(NCCC[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)C(F)(F)F ZINC000831538729 745544335 /nfs/dbraw/zinc/54/43/35/745544335.db2.gz HBZWYTFEIJQEMD-ZDUSSCGKSA-N 1 0 359.348 2.843 20 5 FFBDRO CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000831673652 745564756 /nfs/dbraw/zinc/56/47/56/745564756.db2.gz ABJKURLDRRJFBZ-KGLIPLIRSA-N 1 0 351.359 2.715 20 5 FFBDRO O=C(CC[N@@H+]1CCSC[C@H]1C1CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000831778965 745582973 /nfs/dbraw/zinc/58/29/73/745582973.db2.gz ZCPDJCXELDNXPB-HNNXBMFYSA-N 1 0 353.419 2.890 20 5 FFBDRO C[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CCN(CC(F)(F)F)CC1 ZINC000832625342 745728452 /nfs/dbraw/zinc/72/84/52/745728452.db2.gz TZLUQDUZPLBGEP-OAHLLOKOSA-N 1 0 361.364 2.587 20 5 FFBDRO Cc1nn(CCC(=O)OC[C@@H]2CCCC[N@H+]2C(C)C)c(C)c1[N+](=O)[O-] ZINC000837493809 746459299 /nfs/dbraw/zinc/45/92/99/746459299.db2.gz PNZVLXAHVNXTQU-HNNXBMFYSA-N 1 0 352.435 2.604 20 5 FFBDRO CC[C@@H](C)[NH+]1CCN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000838514473 746656085 /nfs/dbraw/zinc/65/60/85/746656085.db2.gz UGVQBVMZSWHUKN-GFCCVEGCSA-N 1 0 354.838 2.874 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C(=O)N(CC[NH+](C)C)Cc2ccsc2)c1 ZINC000839453009 746830769 /nfs/dbraw/zinc/83/07/69/746830769.db2.gz FIRODXCPKRSLSN-UHFFFAOYSA-N 1 0 363.439 2.869 20 5 FFBDRO CS[C@H]1CN(Cc2cccc([N+](=O)[O-])c2Br)C[C@@H]1[NH+](C)C ZINC000839532005 746848549 /nfs/dbraw/zinc/84/85/49/746848549.db2.gz PRQIIFREQLBEJY-STQMWFEESA-N 1 0 374.304 2.835 20 5 FFBDRO C[C@H]1CC[C@@](CO)([N@H+](C)CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000839568219 746858288 /nfs/dbraw/zinc/85/82/88/746858288.db2.gz KTZVYFWGNFEBTG-MEDUHNTESA-N 1 0 355.822 2.670 20 5 FFBDRO NC(=O)[C@]1(c2ccccc2)CC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000839643770 746880486 /nfs/dbraw/zinc/88/04/86/746880486.db2.gz SXSNGFMIFXLDEY-GOSISDBHSA-N 1 0 359.813 2.877 20 5 FFBDRO CC(C)[N@H+](C)CC(=O)N[C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC000839865698 746946880 /nfs/dbraw/zinc/94/68/80/746946880.db2.gz YTMPYXJOIZYSMS-CYBMUJFWSA-N 1 0 351.300 2.794 20 5 FFBDRO O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000841162341 747284975 /nfs/dbraw/zinc/28/49/75/747284975.db2.gz USYDDRBDGUPYCH-CQSZACIVSA-N 1 0 369.219 2.575 20 5 FFBDRO C[NH2+][C@@H]1CCCN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000841162579 747285276 /nfs/dbraw/zinc/28/52/76/747285276.db2.gz WCXBOOMTAZWALD-SNVBAGLBSA-N 1 0 357.208 2.573 20 5 FFBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000842475143 747613082 /nfs/dbraw/zinc/61/30/82/747613082.db2.gz LDHZLRITRFZBEF-YVEFUNNKSA-N 1 0 366.849 2.651 20 5 FFBDRO COc1ccc(CSCc2nc([C@@H]3CCC[NH2+]C3)no2)cc1[N+](=O)[O-] ZINC000842666721 747654440 /nfs/dbraw/zinc/65/44/40/747654440.db2.gz YYLBJLNLWVPYHV-GFCCVEGCSA-N 1 0 364.427 2.887 20 5 FFBDRO CC1(C)Oc2ccsc2[C@@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@@H]1O ZINC000843117137 747775921 /nfs/dbraw/zinc/77/59/21/747775921.db2.gz VITQVQOQOQXFQT-XPKDYRNWSA-N 1 0 364.423 2.553 20 5 FFBDRO COc1cc(C(=O)OC[C@H]2CC[N@@H+]2C(C)(C)C)c([N+](=O)[O-])cc1OC ZINC000845739277 748317601 /nfs/dbraw/zinc/31/76/01/748317601.db2.gz QQMXMZPCYCBOIG-LLVKDONJSA-N 1 0 352.387 2.642 20 5 FFBDRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])c(Cl)c3)C2)C1 ZINC000846686366 748524277 /nfs/dbraw/zinc/52/42/77/748524277.db2.gz GOTQIGHEUCYPIY-IOASZLSFSA-N 1 0 367.833 2.607 20 5 FFBDRO C[C@H](CCNS(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)[NH+](C)C ZINC000849428473 749149675 /nfs/dbraw/zinc/14/96/75/749149675.db2.gz BTQWOTORIWEKTK-MRVPVSSYSA-N 1 0 370.258 2.520 20 5 FFBDRO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000850416971 749362273 /nfs/dbraw/zinc/36/22/73/749362273.db2.gz IKCWRQILADGIGZ-GFCCVEGCSA-N 1 0 353.419 2.948 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)CCC2 ZINC000850518253 749380178 /nfs/dbraw/zinc/38/01/78/749380178.db2.gz OBIVKEXBZFVQGX-CYBMUJFWSA-N 1 0 366.361 2.539 20 5 FFBDRO Cc1noc(CN2CCC[C@H]2CN(C)C(=O)OC(C)(C)C)c1[N+](=O)[O-] ZINC000851792965 749677656 /nfs/dbraw/zinc/67/76/56/749677656.db2.gz VOEGTUDQCQQMMT-LBPRGKRZSA-N 1 0 354.407 2.723 20 5 FFBDRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C2 ZINC000854739866 750362801 /nfs/dbraw/zinc/36/28/01/750362801.db2.gz YKNGKQBQCXIJKF-INIZCTEOSA-N 1 0 353.369 2.631 20 5 FFBDRO O=[N+]([O-])c1ccc2c(ccn2Cc2nc(C3C[C@H]4CC[C@@H](C3)[NH2+]4)no2)c1 ZINC000871796632 1013066519 /nfs/dbraw/zinc/06/65/19/1013066519.db2.gz CEFDRUFPCWLOCC-AGUYFDCRSA-N 1 0 353.382 2.979 20 5 FFBDRO Cc1cc(CO)cc(C)c1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000896561991 971583852 /nfs/dbraw/zinc/58/38/52/971583852.db2.gz RQYZTYJMHZZPHR-UHFFFAOYSA-N 1 0 370.453 2.858 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC(OCCC[NH+](C)C)CC2)c1C ZINC000896844726 971861009 /nfs/dbraw/zinc/86/10/09/971861009.db2.gz PRVWHHXVVVXNIZ-UHFFFAOYSA-N 1 0 363.458 2.785 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H](CO)c2cccc(C(F)(F)F)c2)cc1 ZINC000872216717 1013182069 /nfs/dbraw/zinc/18/20/69/1013182069.db2.gz BRBBSCRWMVPCGP-JKSUJKDBSA-N 1 0 370.327 2.970 20 5 FFBDRO CN(CC(C)(C)C[NH+](C)C)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000890881536 960759662 /nfs/dbraw/zinc/75/96/62/960759662.db2.gz YILXJBVBMKMFNN-UHFFFAOYSA-N 1 0 359.430 2.645 20 5 FFBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000134135083 962273753 /nfs/dbraw/zinc/27/37/53/962273753.db2.gz VDDQBDAWTZFCLV-HNNXBMFYSA-N 1 0 360.458 2.640 20 5 FFBDRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000873191638 1013416935 /nfs/dbraw/zinc/41/69/35/1013416935.db2.gz RAVDFINJYGITBI-LJQANCHMSA-N 1 0 360.410 2.695 20 5 FFBDRO COc1c(O)ccc(CN(C)Cc2ccc3c(c2)OCCO3)c1[N+](=O)[O-] ZINC000891487831 964379194 /nfs/dbraw/zinc/37/91/94/964379194.db2.gz NYUYLMQVJCYATJ-UHFFFAOYSA-N 1 0 360.366 2.712 20 5 FFBDRO C[C@@H]1CCN(C(=O)Nc2cc(N3CC[NH+](C)CC3)ccc2[N+](=O)[O-])[C@@H]1C ZINC000934041548 965541687 /nfs/dbraw/zinc/54/16/87/965541687.db2.gz CQRCGSNVROIWOI-ZIAGYGMSSA-N 1 0 361.446 2.609 20 5 FFBDRO CC1([NH+]2CCOCC2)CCN(c2c3cc(F)ccc3ncc2[N+](=O)[O-])CC1 ZINC000894757983 965671583 /nfs/dbraw/zinc/67/15/83/965671583.db2.gz DAWIREIAFMFQPJ-UHFFFAOYSA-N 1 0 374.416 2.973 20 5 FFBDRO [NH3+]CCc1cn(-c2ncnc3sc([N+](=O)[O-])cc32)c2ccc(O)cc12 ZINC001167983582 965703698 /nfs/dbraw/zinc/70/36/98/965703698.db2.gz SYIYNDZTIGEDLJ-UHFFFAOYSA-N 1 0 355.379 2.750 20 5 FFBDRO COc1ccc(C[NH2+]C[C@H]2COCO2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000894871121 965993775 /nfs/dbraw/zinc/99/37/75/965993775.db2.gz PWIWEFWFUZAUQT-KRWDZBQOSA-N 1 0 374.393 2.645 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CCN(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001167642414 967120305 /nfs/dbraw/zinc/12/03/05/967120305.db2.gz XKCIWGGXADQDHL-SFHVURJKSA-N 1 0 357.458 2.696 20 5 FFBDRO Cn1c2ccccc2c(N2CCC(C)([NH+]3CCC3)CC2)c([N+](=O)[O-])c1=O ZINC000895161011 968001292 /nfs/dbraw/zinc/00/12/92/968001292.db2.gz PUMGWJNKWTZSKF-UHFFFAOYSA-N 1 0 356.426 2.511 20 5 FFBDRO C[C@@]12CSC[C@@H]1C[N@H+](CCCn1c(=O)oc3ccc([N+](=O)[O-])cc31)C2 ZINC001176803456 1013778079 /nfs/dbraw/zinc/77/80/79/1013778079.db2.gz HECNDFPARXBVRF-YVEFUNNKSA-N 1 0 363.439 2.578 20 5 FFBDRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000895268858 968876762 /nfs/dbraw/zinc/87/67/62/968876762.db2.gz AQUFCXOCWJVRKK-OAHLLOKOSA-N 1 0 354.410 2.660 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(Br)c(O[C@H]2CCC[NH2+]C[C@H]2F)c1 ZINC001217951735 969205126 /nfs/dbraw/zinc/20/51/26/969205126.db2.gz QNFMREXIXNEGCR-ZJUUUORDSA-N 1 0 351.147 2.965 20 5 FFBDRO C[C@@H]1C[NH2+]CC[C@H]1Oc1ccc(I)cc1[N+](=O)[O-] ZINC001218412388 970046802 /nfs/dbraw/zinc/04/68/02/970046802.db2.gz FFLBBSSJSNPRGH-LDYMZIIASA-N 1 0 362.167 2.576 20 5 FFBDRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](c2cnn(C)c2)C1 ZINC000875054486 1013958823 /nfs/dbraw/zinc/95/88/23/1013958823.db2.gz UNRULVSPQBWPSS-ROUUACIJSA-N 1 0 371.441 2.781 20 5 FFBDRO CCOC(=O)Cc1ccc(N2CC[C@@H](C[NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000825770409 1013984254 /nfs/dbraw/zinc/98/42/54/1013984254.db2.gz MPMAZEXFLMTCSY-INIZCTEOSA-N 1 0 361.442 2.623 20 5 FFBDRO O=C(O[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000892962937 970444743 /nfs/dbraw/zinc/44/47/43/970444743.db2.gz QIMUVSPQHSBKEJ-QWHCGFSZSA-N 1 0 362.382 2.540 20 5 FFBDRO O=C(O[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000892962936 970444877 /nfs/dbraw/zinc/44/48/77/970444877.db2.gz QIMUVSPQHSBKEJ-OLZOCXBDSA-N 1 0 362.382 2.540 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1CN1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000895552674 970734447 /nfs/dbraw/zinc/73/44/47/970734447.db2.gz POMUHPIASZNKGN-UHFFFAOYSA-N 1 0 374.485 2.517 20 5 FFBDRO C[C@H](CNC(=O)N1CC[N@@H+](C2CC2)C[C@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000897064529 973214765 /nfs/dbraw/zinc/21/47/65/973214765.db2.gz YZWKKIVIQPHWLT-LSDHHAIUSA-N 1 0 360.458 2.824 20 5 FFBDRO Cc1cc(C[NH+](C)C)ccc1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000909613242 974317776 /nfs/dbraw/zinc/31/77/76/974317776.db2.gz BAWDFEGNQKGLCM-UHFFFAOYSA-N 1 0 371.393 2.988 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3c4ccccc4CC[C@H]3O)CC2)cn1 ZINC000897339584 974355493 /nfs/dbraw/zinc/35/54/93/974355493.db2.gz JTOYJAIPFGZRGY-QUCCMNQESA-N 1 0 368.437 2.597 20 5 FFBDRO O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1CC[C@]2(CCC[NH2+]2)C1 ZINC000424027214 975360235 /nfs/dbraw/zinc/36/02/35/975360235.db2.gz MBSUVOSZWDPLOB-OAHLLOKOSA-N 1 0 373.331 2.504 20 5 FFBDRO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC1CC[NH+](C2CCOCC2)CC1 ZINC000898637547 976584245 /nfs/dbraw/zinc/58/42/45/976584245.db2.gz ULCFLPKGVJDAOQ-PFONDFGASA-N 1 0 373.453 2.758 20 5 FFBDRO Cc1ncccc1OC[C@@H]1CCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000842173443 976714356 /nfs/dbraw/zinc/71/43/56/976714356.db2.gz PSEPUHRJAQKREQ-ROUUACIJSA-N 1 0 357.410 2.875 20 5 FFBDRO O=C(/C=C\[C@@H]1CCC[NH2+]C1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000876681243 1014350491 /nfs/dbraw/zinc/35/04/91/1014350491.db2.gz NPQKZQIXAWLLTC-VOGXCRAGSA-N 1 0 359.426 2.520 20 5 FFBDRO O=C(C[N@H+](CC1CC1)C1CCC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000796577299 1014374139 /nfs/dbraw/zinc/37/41/39/1014374139.db2.gz NXVCAQSEPKTFMF-UHFFFAOYSA-N 1 0 372.469 2.508 20 5 FFBDRO COc1ccc(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)cc1OC(F)F ZINC000876917226 1014418846 /nfs/dbraw/zinc/41/88/46/1014418846.db2.gz PDGAGZAXWBEMNN-UHFFFAOYSA-N 1 0 368.340 2.895 20 5 FFBDRO O=C(NC1(C[NH2+]Cc2cccc(F)c2Cl)CCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001481896926 977742161 /nfs/dbraw/zinc/74/21/61/977742161.db2.gz HZZWFJJBPLVOJP-TZMCWYRMSA-N 1 0 369.824 2.663 20 5 FFBDRO C[C@@H](C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)N1CCc2ccccc2C1 ZINC000876993187 1014443329 /nfs/dbraw/zinc/44/33/29/1014443329.db2.gz XRJCMOLIQOYGPJ-NNGSBXSVSA-N 1 0 355.442 2.531 20 5 FFBDRO COc1ccc(C[C@@H](C)[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)cc1OC ZINC000877018274 1014450676 /nfs/dbraw/zinc/45/06/76/1014450676.db2.gz LLEFGBYMVZCGAP-LRVUVFPRSA-N 1 0 360.414 2.733 20 5 FFBDRO COc1cccc(N2CCC[C@@H]([NH2+]C3CC(n4cc([N+](=O)[O-])cn4)C3)C2)c1 ZINC000877038660 1014459092 /nfs/dbraw/zinc/45/90/92/1014459092.db2.gz VKIPXMFAAGQXKM-HPUBIQBYSA-N 1 0 371.441 2.762 20 5 FFBDRO COc1cccc(N2CCC[C@H]([NH2+]C3CC(n4cc([N+](=O)[O-])cn4)C3)C2)c1 ZINC000877038661 1014458841 /nfs/dbraw/zinc/45/88/41/1014458841.db2.gz VKIPXMFAAGQXKM-UQPPLGOBSA-N 1 0 371.441 2.762 20 5 FFBDRO C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(C[N@H+](C2CC2)C2CCCC2)C1=O ZINC000029539882 979058951 /nfs/dbraw/zinc/05/89/51/979058951.db2.gz JHZVAZYQTIJXQX-IBGZPJMESA-N 1 0 372.425 2.726 20 5 FFBDRO CCCCC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001105423318 979414522 /nfs/dbraw/zinc/41/45/22/979414522.db2.gz NWQDWSMUPGWNPX-MLYOOKFZSA-N 1 0 359.470 2.648 20 5 FFBDRO CC(C)(O)C[NH+]1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000129987900 979598164 /nfs/dbraw/zinc/59/81/64/979598164.db2.gz KMUSUNJTCBGRBB-UHFFFAOYSA-N 1 0 359.426 2.743 20 5 FFBDRO Cn1cc(CN2CC[C@]3(C2)CCCC[NH2+]3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000904431541 980273143 /nfs/dbraw/zinc/27/31/43/980273143.db2.gz WDLSUQUBCSUVMV-IBGZPJMESA-N 1 0 355.442 2.713 20 5 FFBDRO C[NH+](C)Cc1ccc(-c2noc(C(C)(C)n3cc([N+](=O)[O-])cn3)n2)cc1 ZINC000904623430 980306219 /nfs/dbraw/zinc/30/62/19/980306219.db2.gz DHZMCSOTSMMGOP-UHFFFAOYSA-N 1 0 356.386 2.686 20 5 FFBDRO CN(C(=O)CCc1ccc(OCC[NH+](C)C)cc1)c1ccc([N+](=O)[O-])nc1 ZINC000905022098 980372571 /nfs/dbraw/zinc/37/25/71/980372571.db2.gz BXYKRNGHQSFQEV-UHFFFAOYSA-N 1 0 372.425 2.526 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3C[C@@H](O)c4ccccc43)CC2)cn1 ZINC000877630078 1014652992 /nfs/dbraw/zinc/65/29/92/1014652992.db2.gz YOVHGFNHDQXORL-ZWKOTPCHSA-N 1 0 354.410 2.727 20 5 FFBDRO O=C(COc1ccc([C@@H]2CCC[NH2+]2)cc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000905617958 980478581 /nfs/dbraw/zinc/47/85/81/980478581.db2.gz TYINVXSCQJBYRU-SFHVURJKSA-N 1 0 367.405 2.987 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CCC([C@H](O)c2ccnn2C)CC1 ZINC000877647804 1014660398 /nfs/dbraw/zinc/66/03/98/1014660398.db2.gz UFUBXYKJPGVHND-IBGZPJMESA-N 1 0 358.442 2.891 20 5 FFBDRO O=C1[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CCCN1Cc1ccccc1 ZINC000760236513 980479860 /nfs/dbraw/zinc/47/98/60/980479860.db2.gz SKDVBFNRAPUIPL-IBGZPJMESA-N 1 0 353.422 2.918 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H](CC[NH+](C)C)c2cccnc2)c1F ZINC000906285184 980614377 /nfs/dbraw/zinc/61/43/77/980614377.db2.gz SECJORPKFBYDGR-MRXNPFEDSA-N 1 0 360.389 2.860 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H](C3CCC3)[C@@H]3CCOC3)CC2)cn1 ZINC000877710534 1014695632 /nfs/dbraw/zinc/69/56/32/1014695632.db2.gz QMJMIYGSVJHJKV-BEFAXECRSA-N 1 0 360.458 2.753 20 5 FFBDRO COC(=O)CC[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000877822955 1014740392 /nfs/dbraw/zinc/74/03/92/1014740392.db2.gz VMRQIVDOJUJEQS-ZDUSSCGKSA-N 1 0 364.398 2.627 20 5 FFBDRO COC1CC[NH+](C(C)(C)CNC(=O)c2c(C)c(F)ccc2[N+](=O)[O-])CC1 ZINC000843792570 982552947 /nfs/dbraw/zinc/55/29/47/982552947.db2.gz STCBYGAWAKEXEE-UHFFFAOYSA-N 1 0 367.421 2.662 20 5 FFBDRO CC1(C)CC2(CC([NH2+]C3CCN(c4ccc([N+](=O)[O-])nc4)CC3)C2)CO1 ZINC000897970985 982559620 /nfs/dbraw/zinc/55/96/20/982559620.db2.gz RMSWXRLKDLPMIU-UHFFFAOYSA-N 1 0 360.458 2.896 20 5 FFBDRO CCO[C@@H]1C[C@@H]([N@H+](C)Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1(C)C ZINC000156448534 984333422 /nfs/dbraw/zinc/33/34/22/984333422.db2.gz PGTGQOLTQUKYKZ-HZPDHXFCSA-N 1 0 359.430 2.946 20 5 FFBDRO CC[N@H+](CCc1ccccn1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000764313179 984423092 /nfs/dbraw/zinc/42/30/92/984423092.db2.gz DQSCNSYSPWTRQJ-SFHVURJKSA-N 1 0 354.410 2.660 20 5 FFBDRO C[N@@H+]1CCC[C@]2(CCN(Cc3nnc(-c4ccccc4[N+](=O)[O-])o3)C2)C1 ZINC000878652013 1015150449 /nfs/dbraw/zinc/15/04/49/1015150449.db2.gz KNEKXNJQRDWQAO-SFHVURJKSA-N 1 0 357.414 2.563 20 5 FFBDRO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000765795033 985859744 /nfs/dbraw/zinc/85/97/44/985859744.db2.gz DQUPNFUDPUDLQT-KRWDZBQOSA-N 1 0 372.469 2.942 20 5 FFBDRO O=C1[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CCCN1Cc1ccccn1 ZINC000761531142 987286318 /nfs/dbraw/zinc/28/63/18/987286318.db2.gz AWOOCVRTTYDJLJ-INIZCTEOSA-N 1 0 374.828 2.924 20 5 FFBDRO COCCC[NH+]1CCC(Nc2cc(C)c([N+](=O)[O-])c(C(=O)OC)c2)CC1 ZINC000130558574 987849116 /nfs/dbraw/zinc/84/91/16/987849116.db2.gz UPLDJYGXPIYKJK-UHFFFAOYSA-N 1 0 365.430 2.603 20 5 FFBDRO Cc1nn(C[NH+]2CCC(c3ccncc3)CC2)c2ncc([N+](=O)[O-])cc12 ZINC000762098739 988117452 /nfs/dbraw/zinc/11/74/52/988117452.db2.gz NBXIVYSWNPELBF-UHFFFAOYSA-N 1 0 352.398 2.880 20 5 FFBDRO C[NH2+][C@H](CC(C)(C)C)c1nc(-c2ccc(-n3cncn3)c([N+](=O)[O-])c2)no1 ZINC000843237234 988318499 /nfs/dbraw/zinc/31/84/99/988318499.db2.gz NJNSHRVBPMBCGX-GFCCVEGCSA-N 1 0 371.401 2.922 20 5 FFBDRO C[NH+](C)CC[C@H](NCc1cc2c(cc1[N+](=O)[O-])OCCO2)c1cccnc1 ZINC000922631134 988769285 /nfs/dbraw/zinc/76/92/85/988769285.db2.gz JLAMFOAXHOMPBN-INIZCTEOSA-N 1 0 372.425 2.544 20 5 FFBDRO C[NH+]1CCC2(CC1)CC[NH+](Cc1nnc(-c3ccc([N+](=O)[O-])cc3)o1)CC2 ZINC000879248328 1015436701 /nfs/dbraw/zinc/43/67/01/1015436701.db2.gz LCBUCBVMFGBQIN-UHFFFAOYSA-N 1 0 371.441 2.953 20 5 FFBDRO COC(=O)[C@@H](C)C[N@@H+](Cc1ccccc1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000153909622 989762812 /nfs/dbraw/zinc/76/28/12/989762812.db2.gz ZHDFYIVZRVYCAM-KXBFYZLASA-N 1 0 372.421 2.940 20 5 FFBDRO O=C(CC[N@H+]1CC[C@H](O)[C@H]2CCCC[C@H]21)Nc1cc([N+](=O)[O-])ccc1F ZINC000879419996 1015523126 /nfs/dbraw/zinc/52/31/26/1015523126.db2.gz RGIZYICYQZNXON-XKQJLSEDSA-N 1 0 365.405 2.688 20 5 FFBDRO O=C(N[C@H]1CC[C@H]([NH2+]Cc2cc3ccccc3o2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001034643770 990149047 /nfs/dbraw/zinc/14/90/47/990149047.db2.gz SBIRWYOKMODPOC-MUIFIZLQSA-N 1 0 357.410 2.615 20 5 FFBDRO CC(C)c1ccc(C[NH+]2CC3(C2)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC3)cc1 ZINC001035704397 990528489 /nfs/dbraw/zinc/52/84/89/990528489.db2.gz MGDZTPKYRBXLIU-RTBURBONSA-N 1 0 371.481 2.900 20 5 FFBDRO Cc1ccccc1CCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC2 ZINC001035707795 990529611 /nfs/dbraw/zinc/52/96/11/990529611.db2.gz RDHVLPWFDZUIDN-RTBURBONSA-N 1 0 371.481 2.517 20 5 FFBDRO COc1cccc(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)c1[N+](=O)[O-] ZINC000194818118 990565143 /nfs/dbraw/zinc/56/51/43/990565143.db2.gz WIQMORYQEHEVDN-UHFFFAOYSA-N 1 0 370.409 2.645 20 5 FFBDRO C[NH+](C)CCOc1ccccc1CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000195191978 990767490 /nfs/dbraw/zinc/76/74/90/990767490.db2.gz QNBURMNJLGKHTD-UHFFFAOYSA-N 1 0 372.425 2.535 20 5 FFBDRO Cn1nnc2c1C[C@@H]([NH2+]Cc1ccc(-c3cccc([N+](=O)[O-])c3)o1)CC2 ZINC000922993919 990784723 /nfs/dbraw/zinc/78/47/23/990784723.db2.gz PRMKMLGANMBYES-ZDUSSCGKSA-N 1 0 353.382 2.630 20 5 FFBDRO C[NH+](C)[C@@H](CNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)C1CCCCC1 ZINC000920459812 990852334 /nfs/dbraw/zinc/85/23/34/990852334.db2.gz FUWHBBWRRKEXPI-SFHVURJKSA-N 1 0 373.457 2.571 20 5 FFBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000180187496 991449457 /nfs/dbraw/zinc/44/94/57/991449457.db2.gz ALUAMKVJKPPKEB-MJGOQNOKSA-N 1 0 368.437 2.836 20 5 FFBDRO Cc1c(C(=O)NC2CC[NH+](C(C)(C)C)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000130919948 991809483 /nfs/dbraw/zinc/80/94/83/991809483.db2.gz UJPQVMLRUPTIGJ-UHFFFAOYSA-N 1 0 364.402 2.804 20 5 FFBDRO C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N)CC[N@@H+]1Cc1ccccc1 ZINC000184481554 992779075 /nfs/dbraw/zinc/77/90/75/992779075.db2.gz BRQKVODVEXURBL-ZBFHGGJFSA-N 1 0 368.437 2.960 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC(C)([NH+]2CCC2)CC1 ZINC000880474035 1015845469 /nfs/dbraw/zinc/84/54/69/1015845469.db2.gz BANHMULOQVTUPI-UHFFFAOYSA-N 1 0 360.458 2.792 20 5 FFBDRO COc1cc2c(cc1CN(CC[NH3+])c1ccc([N+](=O)[O-])cc1)O[C@@H](C)C2 ZINC000809735209 994585638 /nfs/dbraw/zinc/58/56/38/994585638.db2.gz VKFUGGQMIMINHD-ZDUSSCGKSA-N 1 0 357.410 2.892 20 5 FFBDRO Cn1cc(C(=O)O[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000810848504 994954569 /nfs/dbraw/zinc/95/45/69/994954569.db2.gz VSJLCJMOPDGURP-JKSUJKDBSA-N 1 0 370.409 2.779 20 5 FFBDRO [NH3+]CCN(c1c[n+]([O-])c(Cl)cc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2 ZINC001170630198 995084357 /nfs/dbraw/zinc/08/43/57/995084357.db2.gz LSALDITWBNEDQL-UHFFFAOYSA-N 1 0 366.849 2.616 20 5 FFBDRO CCOc1cc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000888833180 1015959004 /nfs/dbraw/zinc/95/90/04/1015959004.db2.gz XXKCOZICDDGXQF-UKRRQHHQSA-N 1 0 362.430 2.942 20 5 FFBDRO C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC001133729266 995676012 /nfs/dbraw/zinc/67/60/12/995676012.db2.gz TWLGXHKYYNPLMS-SZTZYQKNSA-N 1 0 352.394 2.740 20 5 FFBDRO C[C@H]1C[C@@H](NC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)C[N@@H+]1Cc1ccccc1 ZINC000823981543 996772302 /nfs/dbraw/zinc/77/23/02/996772302.db2.gz ZLFFQTLOWCSMEM-XJKSGUPXSA-N 1 0 369.425 2.962 20 5 FFBDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000823988560 996773047 /nfs/dbraw/zinc/77/30/47/996773047.db2.gz WUWQGIFWHKRKHJ-MRXNPFEDSA-N 1 0 369.425 2.915 20 5 FFBDRO C[NH+](C)CCN(CC1CCCCC1)C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825389395 997335098 /nfs/dbraw/zinc/33/50/98/997335098.db2.gz NDOKDOOJKWJFKD-GOSISDBHSA-N 1 0 363.458 2.599 20 5 FFBDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000825393749 997359262 /nfs/dbraw/zinc/35/92/62/997359262.db2.gz KOMGUPJLSRQRQR-JKIFEVAISA-N 1 0 363.458 2.501 20 5 FFBDRO Cc1c([N+](=O)[O-])cc(C(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000730841964 997514341 /nfs/dbraw/zinc/51/43/41/997514341.db2.gz UMGURQGRIHBDEO-RYUDHWBXSA-N 1 0 364.402 2.804 20 5 FFBDRO C[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H](Cc2ccccc2)C1 ZINC000844423458 997878702 /nfs/dbraw/zinc/87/87/02/997878702.db2.gz SNZCNUKTDHEYFU-GOSISDBHSA-N 1 0 370.409 2.862 20 5 FFBDRO C[NH+]1CCN(c2ccccc2NC(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000731456465 997950805 /nfs/dbraw/zinc/95/08/05/997950805.db2.gz GHVQUXFHMCCEIB-UHFFFAOYSA-N 1 0 358.373 2.738 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)CC[NH+]1CCCCC1 ZINC001144274371 998243311 /nfs/dbraw/zinc/24/33/11/998243311.db2.gz WCLQYZPUIWRQNO-CYBMUJFWSA-N 1 0 369.849 2.960 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(COC(=O)CC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000845165718 998392209 /nfs/dbraw/zinc/39/22/09/998392209.db2.gz SRDYYLYYOKVAHS-HNNXBMFYSA-N 1 0 364.398 2.689 20 5 FFBDRO Cc1cccc(C[NH+]2CCC(C3(NC(=O)[C@@H]4C[C@H]4[N+](=O)[O-])CC3)CC2)c1 ZINC001000150443 1016244841 /nfs/dbraw/zinc/24/48/41/1016244841.db2.gz QKOICWBXOGYYLQ-QZTJIDSGSA-N 1 0 357.454 2.521 20 5 FFBDRO C[N@@H+]1CCCC[C@@H]1CCC(=O)OCc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000803856324 1016244877 /nfs/dbraw/zinc/24/48/77/1016244877.db2.gz OOAFTMBPZVIGLA-CQSZACIVSA-N 1 0 374.397 2.953 20 5 FFBDRO C[N@@H+]1CCCC[C@@H]1CCC(=O)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000803856045 1016247366 /nfs/dbraw/zinc/24/73/66/1016247366.db2.gz LYYAEWLWLSWVCZ-CQSZACIVSA-N 1 0 374.397 2.953 20 5 FFBDRO C[N@@H+]1CC[C@@H](CNC(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)C1 ZINC000823755231 999074603 /nfs/dbraw/zinc/07/46/03/999074603.db2.gz MLELOTUWOTXSJN-ZETCQYMHSA-N 1 0 350.177 2.722 20 5 FFBDRO Cc1c(NC(=O)CCN2C[C@@]3(C)C[NH+](C)C[C@]3(C)C2)cccc1[N+](=O)[O-] ZINC000823755631 999074709 /nfs/dbraw/zinc/07/47/09/999074709.db2.gz UZBUEFWPCLERTO-RTBURBONSA-N 1 0 360.458 2.505 20 5 FFBDRO O=[N+]([O-])c1ccc(F)cc1C[NH2+][C@]1(CO)CCCN(Cc2ccccc2)C1 ZINC000734000520 999169794 /nfs/dbraw/zinc/16/97/94/999169794.db2.gz QRKYNJITGXCYHE-HXUWFJFHSA-N 1 0 373.428 2.851 20 5 FFBDRO Cc1c(NC(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)cccc1[N+](=O)[O-] ZINC000734263047 999257630 /nfs/dbraw/zinc/25/76/30/999257630.db2.gz WWGMBLTWHMBJJO-OAHLLOKOSA-N 1 0 362.430 2.668 20 5 FFBDRO O=[N+]([O-])c1cn(CN2CC[C@@H](C[NH+]3CCCCC3)C2)nc1-c1ccncc1 ZINC000742169673 999760781 /nfs/dbraw/zinc/76/07/81/999760781.db2.gz FTMVUKOQTUMYEI-INIZCTEOSA-N 1 0 370.457 2.619 20 5 FFBDRO O=C(NC[C@H]1C[C@H]([NH2+]Cc2ccc(C3CCCC3)cc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001086363316 999870248 /nfs/dbraw/zinc/87/02/48/999870248.db2.gz NTKJEZCWKNCZDO-HUYLIWGRSA-N 1 0 371.481 2.994 20 5 FFBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000745867782 999934567 /nfs/dbraw/zinc/93/45/67/999934567.db2.gz LYCPGODOZYBYIM-MCIONIFRSA-N 1 0 367.421 2.595 20 5 FFBDRO [NH3+]Cc1ccc2ncn(-c3nc4cc([N+](=O)[O-])ccc4nc3Cl)c2c1 ZINC001168840609 1000001288 /nfs/dbraw/zinc/00/12/88/1000001288.db2.gz FNCODOOKFUJPAD-UHFFFAOYSA-N 1 0 354.757 2.989 20 5 FFBDRO CCC(CC)N(CC(C)C)c1ccc(-n2nnnc2C[NH3+])cc1[N+](=O)[O-] ZINC001168924003 1000009529 /nfs/dbraw/zinc/00/95/29/1000009529.db2.gz SRYWEJUSLAWQPI-UHFFFAOYSA-N 1 0 361.450 2.680 20 5 FFBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]C2(c3ccc(Br)cc3)COC2)C1 ZINC001168976025 1000012085 /nfs/dbraw/zinc/01/20/85/1000012085.db2.gz YHSRHPGYTHNGOJ-SMDDNHRTSA-N 1 0 355.232 2.710 20 5 FFBDRO CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001168960241 1000012984 /nfs/dbraw/zinc/01/29/84/1000012984.db2.gz FEYQTPOCZRBJQT-NPJQDHAYSA-N 1 0 353.463 2.952 20 5 FFBDRO CC(C)(C)OC(=O)N1C[C@@H]2[C@H]([NH2+][C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC[C@@H]2C1 ZINC001168965088 1000013303 /nfs/dbraw/zinc/01/33/03/1000013303.db2.gz XZFGLOCNLZTEEX-DGXTUMSLSA-N 1 0 353.463 2.667 20 5 FFBDRO COc1ccc(CN2CCC([NH2+][C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)cc1F ZINC001168992484 1000013744 /nfs/dbraw/zinc/01/37/44/1000013744.db2.gz KBGWODUDJFBUBF-WMLDXEAASA-N 1 0 365.449 2.834 20 5 FFBDRO COc1ccc(CN2CCC([NH2+][C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)cc1F ZINC001168992485 1000013769 /nfs/dbraw/zinc/01/37/69/1000013769.db2.gz KBGWODUDJFBUBF-YOEHRIQHSA-N 1 0 365.449 2.834 20 5 FFBDRO CC(C)(C)OC(=O)N1CC[C@H](F)[C@H](C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168975771 1000013792 /nfs/dbraw/zinc/01/37/92/1000013792.db2.gz XBKNROZCEGUHTA-TUVASFSCSA-N 1 0 359.442 2.617 20 5 FFBDRO O=C(C[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccc(Br)c(F)c1 ZINC001168975779 1000013845 /nfs/dbraw/zinc/01/38/45/1000013845.db2.gz XDNLIUGBSCJEQP-KOLCDFICSA-N 1 0 359.195 2.806 20 5 FFBDRO C[C@@H]1CC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001169006447 1000015089 /nfs/dbraw/zinc/01/50/89/1000015089.db2.gz IHVGHETWZLSZTQ-QKPAOTATSA-N 1 0 355.479 2.915 20 5 FFBDRO CC(C)(C)OC(=O)N1C[C@H]2CC[N@@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@@H]2C1 ZINC001169010585 1000015260 /nfs/dbraw/zinc/01/52/60/1000015260.db2.gz DVBRXITVXODCRJ-KLHDSHLOSA-N 1 0 353.463 2.621 20 5 FFBDRO CC(C)(C)OC(=O)N1CC[C@H]2CC[N@@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@H]21 ZINC001169010308 1000015306 /nfs/dbraw/zinc/01/53/06/1000015306.db2.gz COSOLORFHOAUDC-XUWVNRHRSA-N 1 0 353.463 2.763 20 5 FFBDRO CC(C)(C)OC(=O)N1CC[C@]12CCC[N@@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169011024 1000015392 /nfs/dbraw/zinc/01/53/92/1000015392.db2.gz HJVQLCGPXUFKPK-MPGHIAIKSA-N 1 0 353.463 2.907 20 5 FFBDRO CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC[C@@H]2C1 ZINC001169010587 1000015438 /nfs/dbraw/zinc/01/54/38/1000015438.db2.gz DVBRXITVXODCRJ-WCVJEAGWSA-N 1 0 353.463 2.621 20 5 FFBDRO CC(C)(C)OC(=O)N1CCC[C@@H]2C[N@@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@@H]21 ZINC001169010289 1000015456 /nfs/dbraw/zinc/01/54/56/1000015456.db2.gz CFLZMLIHLKPAHY-WCVJEAGWSA-N 1 0 353.463 2.763 20 5 FFBDRO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](C1)C2C[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168988403 1000015906 /nfs/dbraw/zinc/01/59/06/1000015906.db2.gz RXMFYKSEIYJLCG-ILUDGRTOSA-N 1 0 367.490 2.915 20 5 FFBDRO O=C1N(c2cccc(F)c2)CC12CC[NH+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169029668 1000016244 /nfs/dbraw/zinc/01/62/44/1000016244.db2.gz VAJQMRHOJRKUFF-GDBMZVCRSA-N 1 0 361.417 2.700 20 5 FFBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCCn3cnc(COc4cccnc4)c3C2)C1 ZINC001169018392 1000017242 /nfs/dbraw/zinc/01/72/42/1000017242.db2.gz AYLRYSOYPLOASX-HZPDHXFCSA-N 1 0 371.441 2.508 20 5 FFBDRO O=C1C[C@]2(CC[N@@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C2)CN1c1cccc(F)c1 ZINC001169018879 1000017329 /nfs/dbraw/zinc/01/73/29/1000017329.db2.gz CWPGKPOHYMLZIA-QOKNQOGYSA-N 1 0 361.417 2.700 20 5 FFBDRO Cc1cccc(N2C[C@]3(CC[N@@H+]([C@H]4CC[C@@H](C[N+](=O)[O-])C4)C3)CC2=O)c1 ZINC001169020004 1000017623 /nfs/dbraw/zinc/01/76/23/1000017623.db2.gz HMWCLFIDEQDHFD-FUHIMQAGSA-N 1 0 357.454 2.869 20 5 FFBDRO CCOCc1nn(CC2CC2)c2c1C[N@@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169024572 1000017808 /nfs/dbraw/zinc/01/78/08/1000017808.db2.gz XFCKRTPOOVYIKZ-HOTGVXAUSA-N 1 0 362.474 2.633 20 5 FFBDRO O=C1N(CC2CC2)c2ccccc2[C@]12CC[N@@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169026747 1000018100 /nfs/dbraw/zinc/01/81/00/1000018100.db2.gz NTDYIXVYNAKWSE-CBGDNZLLSA-N 1 0 369.465 2.832 20 5 FFBDRO CCn1cc(C[N@H+](Cc2c(C)nn(C)c2C)[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)cn1 ZINC001169026337 1000018190 /nfs/dbraw/zinc/01/81/90/1000018190.db2.gz KYJPNWYJRCLXOU-SJLPKXTDSA-N 1 0 374.489 2.701 20 5 FFBDRO CC(C)(C)OC(=O)NC(=S)C1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169048297 1000018837 /nfs/dbraw/zinc/01/88/37/1000018837.db2.gz UHPMWUFDRKMSTJ-TZMCWYRMSA-N 1 0 371.503 2.996 20 5 FFBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCC(n3cc(Br)cn3)CC2)C1 ZINC001169054613 1000019014 /nfs/dbraw/zinc/01/90/14/1000019014.db2.gz MWRWCKBOBGMADN-BXUZGUMPSA-N 1 0 357.252 2.728 20 5 FFBDRO COC(=O)C[C@@H]([NH2+]Cc1c(Br)cccc1[N+](=O)[O-])C1CC1 ZINC001169122951 1000023050 /nfs/dbraw/zinc/02/30/50/1000023050.db2.gz FVKGFCCPJZAGLQ-GFCCVEGCSA-N 1 0 357.204 2.789 20 5 FFBDRO COC(=O)c1ncc([N+](=O)[O-])cc1N[C@H]1CC(C)(C)C[C@@](C)(C[NH3+])C1 ZINC001169145780 1000027165 /nfs/dbraw/zinc/02/71/65/1000027165.db2.gz HYMZYVJYDANRBF-GTNSWQLSSA-N 1 0 350.419 2.732 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])ncc1N[C@@H]1CC(C)(C)C[C@@](C)(C[NH3+])C1 ZINC001169154916 1000028342 /nfs/dbraw/zinc/02/83/42/1000028342.db2.gz ZLABKQHRBBLKER-DIFFPNOSSA-N 1 0 350.419 2.732 20 5 FFBDRO CCOC(=O)C1(Nc2ccc([N+](=O)[O-])c3cnccc23)CC[NH+](C)CC1 ZINC001169492233 1000055596 /nfs/dbraw/zinc/05/55/96/1000055596.db2.gz SFFYCLUKNHRWHY-UHFFFAOYSA-N 1 0 358.398 2.582 20 5 FFBDRO CN1CCc2c(N3CCCc4ccc(C[NH3+])nc43)ccc([N+](=O)[O-])c2C1 ZINC001169591449 1000060173 /nfs/dbraw/zinc/06/01/73/1000060173.db2.gz JRWXAPSZIKSFPY-UHFFFAOYSA-N 1 0 353.426 2.521 20 5 FFBDRO COC(=O)COc1ccc([C@H](C)[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000767876889 1000154084 /nfs/dbraw/zinc/15/40/84/1000154084.db2.gz RMWPHBPNIWMNBA-UGSOOPFHSA-N 1 0 374.393 2.531 20 5 FFBDRO CN(CCC[N@H+](C)Cc1ccncc1)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000846172417 1000215517 /nfs/dbraw/zinc/21/55/17/1000215517.db2.gz MCIMNFABSHDUGE-UHFFFAOYSA-N 1 0 360.389 2.723 20 5 FFBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000768501264 1000268927 /nfs/dbraw/zinc/26/89/27/1000268927.db2.gz HTUWXCSYZJYUMM-QFBILLFUSA-N 1 0 355.442 2.832 20 5 FFBDRO C[C@@H]([NH2+]C[C@]1(O)CCN(C(=O)OC(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000846846059 1000457214 /nfs/dbraw/zinc/45/72/14/1000457214.db2.gz STQJOMZSMDWUOP-FZKQIMNGSA-N 1 0 365.430 2.617 20 5 FFBDRO O=[N+]([O-])c1ccc(NCC2CCN(c3cc[nH+]cc3)CC2)c2nonc21 ZINC000771718324 1001188427 /nfs/dbraw/zinc/18/84/27/1001188427.db2.gz RAJSNKUTBOYZHA-UHFFFAOYSA-N 1 0 354.370 2.855 20 5 FFBDRO Cc1ccc(NC(=O)[C@H]([NH2+][C@H](CO)C2CC2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000771810197 1001215279 /nfs/dbraw/zinc/21/52/79/1001215279.db2.gz XRHBRIOCJNRTNC-IEBWSBKVSA-N 1 0 369.421 2.944 20 5 FFBDRO COc1ccc(C[NH2+][C@@H](C)[C@H](O)c2ccc3c(c2)OCO3)cc1[N+](=O)[O-] ZINC000785581346 1001460086 /nfs/dbraw/zinc/46/00/86/1001460086.db2.gz HQCUKPRHZAIEEM-VOJFVSQTSA-N 1 0 360.366 2.544 20 5 FFBDRO O=C(CC1([NH+]2CCOCC2)CCCC1)OCc1c(F)cccc1[N+](=O)[O-] ZINC000786103887 1001530410 /nfs/dbraw/zinc/53/04/10/1001530410.db2.gz CDGRIPIVQJXFAS-UHFFFAOYSA-N 1 0 366.389 2.812 20 5 FFBDRO CCc1ccc(C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)cc1[N+](=O)[O-] ZINC000746604097 1001627119 /nfs/dbraw/zinc/62/71/19/1001627119.db2.gz ZLQXJGWERBVMKV-QGZVFWFLSA-N 1 0 361.442 2.530 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1ccc(N2CCNC2=O)cc1 ZINC000786830710 1001628886 /nfs/dbraw/zinc/62/88/86/1001628886.db2.gz GBSVKKWQJSPLDW-ZDUSSCGKSA-N 1 0 370.409 2.984 20 5 FFBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000786875711 1001637632 /nfs/dbraw/zinc/63/76/32/1001637632.db2.gz NAHCRSANNKAWAQ-UHFFFAOYSA-N 1 0 360.458 2.905 20 5 FFBDRO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000746635138 1001663751 /nfs/dbraw/zinc/66/37/51/1001663751.db2.gz CRWFVLLZTYVUKU-OAHLLOKOSA-N 1 0 368.437 2.914 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NCC[N@@H+]1CCCC[C@@H]1C ZINC000746716065 1001733053 /nfs/dbraw/zinc/73/30/53/1001733053.db2.gz IDFYTLKWJUXFQA-NSHDSACASA-N 1 0 366.374 2.576 20 5 FFBDRO Cc1ccc(CN2CC[C@@H]([NH2+][C@@H](C)c3ccc(N)c([N+](=O)[O-])c3)C2=O)cc1 ZINC000788787205 1001879763 /nfs/dbraw/zinc/87/97/63/1001879763.db2.gz ZROMMBBCUBGDEA-KBXCAEBGSA-N 1 0 368.437 2.937 20 5 FFBDRO C[C@@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000774381435 1001884454 /nfs/dbraw/zinc/88/44/54/1001884454.db2.gz OBGCHCKTJPWMIA-BFHYXJOUSA-N 1 0 367.450 2.778 20 5 FFBDRO O=C1OCCN1[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000826995070 1016548697 /nfs/dbraw/zinc/54/86/97/1016548697.db2.gz QMKCNYXQOPISTF-ZDUSSCGKSA-N 1 0 357.366 2.881 20 5 FFBDRO O=C1OCCN1[C@@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000826995331 1016545637 /nfs/dbraw/zinc/54/56/37/1016545637.db2.gz ULKWFEVJCGGQSO-OAHLLOKOSA-N 1 0 357.366 2.881 20 5 FFBDRO O=C1OCCN1[C@H]1CC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000826995179 1016552647 /nfs/dbraw/zinc/55/26/47/1016552647.db2.gz QZFDUSQVZWIPGP-HNNXBMFYSA-N 1 0 357.366 2.881 20 5 FFBDRO CCNC(=O)C[C@H]1CCCC[N@@H+]1Cn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000789517248 1002119592 /nfs/dbraw/zinc/11/95/92/1002119592.db2.gz ASLMDEYFUQKYAK-CQSZACIVSA-N 1 0 359.430 2.591 20 5 FFBDRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])c[nH]3)cc2)CC1 ZINC000774705207 1002470828 /nfs/dbraw/zinc/47/08/28/1002470828.db2.gz VTVUHRJPFMQYBK-UHFFFAOYSA-N 1 0 357.414 2.706 20 5 FFBDRO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170313354 1003104637 /nfs/dbraw/zinc/10/46/37/1003104637.db2.gz LSAJVTTZDUJGEJ-MAZHCROVSA-N 1 0 350.415 2.856 20 5 FFBDRO COc1ccc(C[C@H](C)[NH2+]CCN2CCC(F)(F)CC2)c([N+](=O)[O-])c1 ZINC001170317293 1003106191 /nfs/dbraw/zinc/10/61/91/1003106191.db2.gz DXWPMEYFKCPPKH-ZDUSSCGKSA-N 1 0 357.401 2.855 20 5 FFBDRO CCC(=O)N1CCC(C[NH2+][C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC001170317778 1003108378 /nfs/dbraw/zinc/10/83/78/1003108378.db2.gz LLVRRVNMLHNZMV-AWEZNQCLSA-N 1 0 363.458 2.773 20 5 FFBDRO COc1ccc(C[C@H](C)[NH2+]C(C)(C)CC(=O)N2CCCC2)c([N+](=O)[O-])c1 ZINC001170318240 1003108636 /nfs/dbraw/zinc/10/86/36/1003108636.db2.gz NYLGBBYFOYLJND-AWEZNQCLSA-N 1 0 363.458 2.915 20 5 FFBDRO CCS(=O)(=O)c1ccc(CNc2cc3c(cc2[N+](=O)[O-])C[NH2+]C3)cc1 ZINC001170331996 1003115969 /nfs/dbraw/zinc/11/59/69/1003115969.db2.gz HGPGDYPSHKQRHV-UHFFFAOYSA-N 1 0 361.423 2.604 20 5 FFBDRO COC(=O)CC1CC[NH+]([C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC001170334538 1003118601 /nfs/dbraw/zinc/11/86/01/1003118601.db2.gz GLNWTFRNIBYWLD-CYBMUJFWSA-N 1 0 350.415 2.810 20 5 FFBDRO COC(=O)[C@H]1CCC[N@@H+]([C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC001170356036 1003123238 /nfs/dbraw/zinc/12/32/38/1003123238.db2.gz UTDANAVADDMQJE-KGLIPLIRSA-N 1 0 350.415 2.810 20 5 FFBDRO COc1ccc(C[C@H](C)N(c2ncccn2)C2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC001170345185 1003131475 /nfs/dbraw/zinc/13/14/75/1003131475.db2.gz HRRMFLXYKAIZBE-AWEZNQCLSA-N 1 0 371.441 2.583 20 5 FFBDRO COC(=O)[C@]1(C)CCC[N@@H+]([C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170345853 1003134248 /nfs/dbraw/zinc/13/42/48/1003134248.db2.gz MZYFFZWUTCYGAL-SCLBCKFNSA-N 1 0 350.415 2.810 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H](Cn2ccnc2)c2ccccc2)c1 ZINC001197265474 1004146927 /nfs/dbraw/zinc/14/69/27/1004146927.db2.gz SJEKDHVXCOSTDL-RBUKOAKNSA-N 1 0 352.394 2.856 20 5 FFBDRO CCC1([NH2+]Cc2ccc(C)cc2C)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001273757231 1004446254 /nfs/dbraw/zinc/44/62/54/1004446254.db2.gz WLAVDIIXAQNNED-QZTJIDSGSA-N 1 0 359.470 2.829 20 5 FFBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000851646611 1005902813 /nfs/dbraw/zinc/90/28/13/1005902813.db2.gz YYNZPCZWBZOGSJ-GOSISDBHSA-N 1 0 370.409 2.574 20 5 FFBDRO COC(=O)[C@@H](C)C[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776583028 1005954491 /nfs/dbraw/zinc/95/44/91/1005954491.db2.gz YQCPWEIBFLBEKX-HNAYVOBHSA-N 1 0 372.421 2.940 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH+]2CCC(OC[C@H]3CCCCO3)CC2)cc1 ZINC000776590403 1005993562 /nfs/dbraw/zinc/99/35/62/1005993562.db2.gz DIGVSIARGQGNFL-MOPGFXCFSA-N 1 0 364.442 2.678 20 5 FFBDRO CC(C)[C@@H]([NH2+]Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C1(CO)CCC1 ZINC001170711034 1006009015 /nfs/dbraw/zinc/00/90/15/1006009015.db2.gz MXVYIFAVQCKKSL-MRXNPFEDSA-N 1 0 360.414 2.922 20 5 FFBDRO Cc1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)c(N)c([N+](=O)[O-])c1 ZINC000813828101 1006047154 /nfs/dbraw/zinc/04/71/54/1006047154.db2.gz ZOUUWSJRDVILMR-RHSMWYFYSA-N 1 0 368.437 2.878 20 5 FFBDRO Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cn1 ZINC000852562027 1006082100 /nfs/dbraw/zinc/08/21/00/1006082100.db2.gz ZKLXIIXGEVRJBP-BBRMVZONSA-N 1 0 359.386 2.738 20 5 FFBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000881479278 1006122781 /nfs/dbraw/zinc/12/27/81/1006122781.db2.gz UAPLDPXCZXEBET-FDPSAONLSA-N 1 0 373.453 2.758 20 5 FFBDRO CC[NH+](CC)C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)C1 ZINC000882032420 1006285717 /nfs/dbraw/zinc/28/57/17/1006285717.db2.gz HJERQDWBAVNYCW-AWEZNQCLSA-N 1 0 360.458 2.655 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CCCOCC3)CC2)c(OC(F)F)c1 ZINC000853688551 1006504948 /nfs/dbraw/zinc/50/49/48/1006504948.db2.gz QJYSYBKIDSZZKH-UHFFFAOYSA-N 1 0 371.384 2.887 20 5 FFBDRO C[C@H]([NH2+]CC1(N2CCOCC2)CCCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815553456 1006680313 /nfs/dbraw/zinc/68/03/13/1006680313.db2.gz AUWJOOWODJRKBO-HNNXBMFYSA-N 1 0 362.474 2.863 20 5 FFBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000854333495 1006782675 /nfs/dbraw/zinc/78/26/75/1006782675.db2.gz RIPKODUTLYJISL-WXWBBQJKSA-N 1 0 373.453 2.711 20 5 FFBDRO C[C@H](NC(=O)N1CCN(c2cc[nH+]cc2)C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000884086299 1007226752 /nfs/dbraw/zinc/22/67/52/1007226752.db2.gz UJVUMZHGTVRGDO-GJZGRUSLSA-N 1 0 369.425 2.971 20 5 FFBDRO CCc1ccc([C@H](CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)[NH+](C)C)cc1 ZINC000010139259 1007231024 /nfs/dbraw/zinc/23/10/24/1007231024.db2.gz OPVPBJPYGDXIGO-SFHVURJKSA-N 1 0 356.426 2.772 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)c1C ZINC000884342591 1007385170 /nfs/dbraw/zinc/38/51/70/1007385170.db2.gz GDMSJXCGNBQUIL-JKSUJKDBSA-N 1 0 357.385 2.918 20 5 FFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000818955225 1007992884 /nfs/dbraw/zinc/99/28/84/1007992884.db2.gz OIFXPGQYTZFZNE-QUCCMNQESA-N 1 0 355.438 2.882 20 5 FFBDRO CC(C)NC(=O)Nc1ccc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000818956233 1007995019 /nfs/dbraw/zinc/99/50/19/1007995019.db2.gz LJISSRXXDIZAJG-SFHVURJKSA-N 1 0 372.425 2.948 20 5 FFBDRO CC(C)(C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCO2 ZINC000818984900 1008000337 /nfs/dbraw/zinc/00/03/37/1008000337.db2.gz JDGGJRJWBNXUFS-INIZCTEOSA-N 1 0 358.394 2.924 20 5 FFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@@H]2CCN(c3ccc(F)cc3)C2)c1 ZINC000818974354 1008014375 /nfs/dbraw/zinc/01/43/75/1008014375.db2.gz LYVMUGBBBJTXIP-LIRRHRJNSA-N 1 0 359.401 2.883 20 5 FFBDRO COc1ccc(C[C@@H](C)[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000819034953 1008027669 /nfs/dbraw/zinc/02/76/69/1008027669.db2.gz SRERCSHBXBMFRY-DYVFJYSZSA-N 1 0 360.410 2.866 20 5 FFBDRO Cc1ncc2c(n1)CCC[C@H]2[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000819078283 1008039125 /nfs/dbraw/zinc/03/91/25/1008039125.db2.gz IFNGJPRVLFJDTQ-CQSZACIVSA-N 1 0 355.398 2.689 20 5 FFBDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)CN(C)C(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000819135812 1008039593 /nfs/dbraw/zinc/03/95/93/1008039593.db2.gz FYICECFRKXAFOE-ZFWWWQNUSA-N 1 0 367.446 2.782 20 5 FFBDRO COc1ccccc1N1CC[C@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819151904 1008045148 /nfs/dbraw/zinc/04/51/48/1008045148.db2.gz HMQPFXSPYOVNPW-YJBOKZPZSA-N 1 0 357.410 2.505 20 5 FFBDRO C[C@@H](c1ccncc1)N1CCC([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000819183523 1008060227 /nfs/dbraw/zinc/06/02/27/1008060227.db2.gz PQODVHIDTWTWCD-YWZLYKJASA-N 1 0 370.453 2.838 20 5 FFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCOc2cccc(C(F)(F)F)n2)c1 ZINC000819190142 1008061159 /nfs/dbraw/zinc/06/11/59/1008061159.db2.gz HEIWIBAJFKEQLT-ZDUSSCGKSA-N 1 0 371.315 2.711 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)CNc2cccc(C[NH+]3CCC(O)CC3)c2)cc1 ZINC000819446058 1008134893 /nfs/dbraw/zinc/13/48/93/1008134893.db2.gz YLOXVUMKCYINGA-HXUWFJFHSA-N 1 0 371.437 2.697 20 5 FFBDRO COc1ccc(OCC[N@@H+]2CCC[C@@](O)(c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000859586180 1008578163 /nfs/dbraw/zinc/57/81/63/1008578163.db2.gz IOGGSZBDWWFBDD-FQEVSTJZSA-N 1 0 372.421 2.966 20 5 FFBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887133316 1009044855 /nfs/dbraw/zinc/04/48/55/1009044855.db2.gz YNCVHUTUOFKZGX-HUUCEWRRSA-N 1 0 369.425 2.528 20 5 FFBDRO C[C@@H](COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccncc1)[N+](=O)[O-] ZINC000860777047 1009148327 /nfs/dbraw/zinc/14/83/27/1009148327.db2.gz JTXZMJZLOGHGSA-ZYSHUDEJSA-N 1 0 369.421 2.506 20 5 FFBDRO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])NC[C@H]1C[NH+]2CCC1CC2 ZINC001179899442 1009479551 /nfs/dbraw/zinc/47/95/51/1009479551.db2.gz DQIJRMDFMGDZCE-ZDUSSCGKSA-N 1 0 351.834 2.639 20 5 FFBDRO O=C(NC[C@@H]1CC[N@@H+]1C1CCCCC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000862631963 1009910279 /nfs/dbraw/zinc/91/02/79/1009910279.db2.gz ZFNXANRXJZCWKU-AWEZNQCLSA-N 1 0 362.386 2.640 20 5 FFBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)C1 ZINC000889623032 1010032097 /nfs/dbraw/zinc/03/20/97/1010032097.db2.gz RPFFDCBIXOTFLZ-WMLDXEAASA-N 1 0 368.437 2.887 20 5 FFBDRO CC(C)[C@@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@H](O)c1ccccc1 ZINC000794602234 1010434910 /nfs/dbraw/zinc/43/49/10/1010434910.db2.gz CZUZZVQVSJBGPU-WOJBJXKFSA-N 1 0 371.437 2.905 20 5 FFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]Cc2ccc(-n3ccnc3)nc2)n1 ZINC000774113972 1010478097 /nfs/dbraw/zinc/47/80/97/1010478097.db2.gz FBTQXLPDSQDUTA-CVEARBPZSA-N 1 0 367.413 2.646 20 5 FFBDRO C[NH+](C)CCOc1ccccc1CNc1cc(F)c([N+](=O)[O-])cc1CO ZINC000865480867 1010795179 /nfs/dbraw/zinc/79/51/79/1010795179.db2.gz JFFRCQHBXMRJNP-UHFFFAOYSA-N 1 0 363.389 2.779 20 5 FFBDRO CN1C(=O)CCc2cc(C[NH2+][C@@](C)(CO)c3cccc([N+](=O)[O-])c3)ccc21 ZINC000865705067 1010845013 /nfs/dbraw/zinc/84/50/13/1010845013.db2.gz FCVKICBEZFXVBC-FQEVSTJZSA-N 1 0 369.421 2.501 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2ncn(C[N@@H+]3CCC[C@H](C[C@H]4CCOC4)C3)n2)c1 ZINC000773255395 1010898550 /nfs/dbraw/zinc/89/85/50/1010898550.db2.gz AINXNQCOBYUTHX-HZPDHXFCSA-N 1 0 371.441 2.949 20 5 FFBDRO Cc1cc(N2CC[C@H]3[C@H](CC[N@H+]3C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000866204233 1010950818 /nfs/dbraw/zinc/95/08/18/1010950818.db2.gz BGBWGBYTMIMUDX-WBVHZDCISA-N 1 0 353.426 2.891 20 5 FFBDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@@H](C)Cc3ccc(F)cc3[N+](=O)[O-])[C@H]2C1 ZINC000866360684 1010983761 /nfs/dbraw/zinc/98/37/61/1010983761.db2.gz XZOANCFEALBIKK-FRJURHEUSA-N 1 0 363.433 2.902 20 5 FFBDRO C[C@@H](C[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)CC1(C)OCCO1 ZINC000866427153 1010992235 /nfs/dbraw/zinc/99/22/35/1010992235.db2.gz IZXNPYYLLVJURJ-RHSMWYFYSA-N 1 0 374.441 2.797 20 5 FFBDRO COCCN(CC1CC[NH+](C)CC1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000869765854 1011927196 /nfs/dbraw/zinc/92/71/96/1011927196.db2.gz RMNDANSCWIXZEU-UHFFFAOYSA-N 1 0 374.441 2.507 20 5 FFBDRO O=C(C[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1)NCc1ccc(F)cc1 ZINC001172903795 1012076359 /nfs/dbraw/zinc/07/63/59/1012076359.db2.gz IYWCASDIVRYXKI-SFHVURJKSA-N 1 0 371.412 2.887 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CC[C@H](Oc3cnccn3)C1)CC2 ZINC001172914034 1012096529 /nfs/dbraw/zinc/09/65/29/1012096529.db2.gz YCBUBEMZOWCYPQ-AEFFLSMTSA-N 1 0 354.410 2.786 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H](N(c1ncccn1)[C@@H]1CCC[NH2+]C1)CC2 ZINC001172914277 1012097138 /nfs/dbraw/zinc/09/71/38/1012097138.db2.gz GFRGEHMZFVNQTJ-IEBWSBKVSA-N 1 0 367.453 2.891 20 5 FFBDRO O=C1CCC[C@]2(CCC[N@@H+]([C@H]3CCc4ccc([N+](=O)[O-])cc4CC3)C2)N1 ZINC001172910544 1012123566 /nfs/dbraw/zinc/12/35/66/1012123566.db2.gz YWRLWKLMWMCXQE-FXAWDEMLSA-N 1 0 357.454 2.977 20 5 FFBDRO CN1C(=O)CC[C@H]2C[N@H+]([C@H]3CCc4ccc([N+](=O)[O-])cc4CC3)CC[C@H]21 ZINC001172912326 1012124718 /nfs/dbraw/zinc/12/47/18/1012124718.db2.gz KTESXICHUNMFKP-JENIJYKNSA-N 1 0 357.454 2.785 20 5 FFBDRO CN(C)C(=O)NC1CC[NH+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172913480 1012125948 /nfs/dbraw/zinc/12/59/48/1012125948.db2.gz QYKPTMOQBZGJEM-KRWDZBQOSA-N 1 0 360.458 2.578 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH2+]CCCCCCO)CC2)c(F)c1 ZINC001173005234 1012173534 /nfs/dbraw/zinc/17/35/34/1012173534.db2.gz FSVHIYCEUXAHCA-UHFFFAOYSA-N 1 0 357.401 2.984 20 5 FFBDRO CCOC(=O)[C@H](C)C[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173009117 1012175914 /nfs/dbraw/zinc/17/59/14/1012175914.db2.gz RIIJCKDNZWXSQI-LLVKDONJSA-N 1 0 371.384 2.631 20 5 FFBDRO C[C@H]([NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1)c1cncnc1 ZINC001173010851 1012181962 /nfs/dbraw/zinc/18/19/62/1012181962.db2.gz IVFWHTQMWMIKAC-NSHDSACASA-N 1 0 363.368 2.983 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C2(C(N)=O)CCCCCC2)c1F ZINC001173178780 1012321450 /nfs/dbraw/zinc/32/14/50/1012321450.db2.gz MAXYQTAWGSQPGB-LBPRGKRZSA-N 1 0 367.421 2.841 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CCC[C@@](O)(CF)CC2)c1F ZINC001173180154 1012323257 /nfs/dbraw/zinc/32/32/57/1012323257.db2.gz ITYXVFXDQMKBII-SJCJKPOMSA-N 1 0 358.385 2.860 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CC[N@@H+]3CCCC[C@H]3C2)c1F ZINC001173189894 1012330749 /nfs/dbraw/zinc/33/07/49/1012330749.db2.gz OIEMHPVDASRDTC-KGLIPLIRSA-N 1 0 351.422 2.844 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+](C)Cc2cc(C)nn2C)c1F ZINC001173189839 1012332414 /nfs/dbraw/zinc/33/24/14/1012332414.db2.gz MXZHXKOFXGMZDZ-GFCCVEGCSA-N 1 0 350.394 2.847 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CC[C@@]3(CC[N@H+](C)C3)C2)c1F ZINC001173192457 1012336357 /nfs/dbraw/zinc/33/63/57/1012336357.db2.gz LDFMQNNHLZSCTN-SCLBCKFNSA-N 1 0 351.422 2.701 20 5 FFBDRO CCOC[C@@H]1C[N@@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)Cc2c1cnn2C ZINC001173220719 1012350554 /nfs/dbraw/zinc/35/05/54/1012350554.db2.gz BUVZUAGKQMYRQU-ZBFHGGJFSA-N 1 0 358.442 2.895 20 5 FFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC1CCN(c2cnccn2)CC1 ZINC001173222249 1012355709 /nfs/dbraw/zinc/35/57/09/1012355709.db2.gz VSVFTVQOYPHPQM-HNNXBMFYSA-N 1 0 355.442 2.822 20 5 FFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](CN1C(=O)CCC1=O)C(C)(C)C ZINC001173228838 1012365540 /nfs/dbraw/zinc/36/55/40/1012365540.db2.gz KRMDQOYWWQIEEX-XJKSGUPXSA-N 1 0 361.442 2.679 20 5 FFBDRO CCS(=O)(=O)c1ccc(C[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC001173209461 1012369061 /nfs/dbraw/zinc/36/90/61/1012369061.db2.gz CCUKPFSRBTYIHN-CYBMUJFWSA-N 1 0 363.439 2.504 20 5 FFBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)[C@@](C)(N)c2cccc([N+](=O)[O-])c2)C1 ZINC000870920329 1012637204 /nfs/dbraw/zinc/63/72/04/1012637204.db2.gz CTFQDUONBQXZMU-SLGAXEFGSA-N 1 0 374.485 2.633 20 5 FFBDRO CCC(C)(C)[NH2+]C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001173691204 1012901624 /nfs/dbraw/zinc/90/16/24/1012901624.db2.gz ISQATZOCECSYGQ-UHFFFAOYSA-N 1 0 355.460 2.526 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@]3(C(F)(F)F)CCCN3)CC2)cc1 ZINC000925858826 1017876069 /nfs/dbraw/zinc/87/60/69/1017876069.db2.gz OWLQLBWGLDIXSQ-INIZCTEOSA-N 1 0 372.391 2.838 20 5 FFBDRO Cn1ccnc1[C@@H]([NH2+]C[C@]12CCC[C@H]1OCC2)c1ccc([N+](=O)[O-])cc1 ZINC000926916594 1018290766 /nfs/dbraw/zinc/29/07/66/1018290766.db2.gz RLTLVJVIEZGPJY-ZIFCJYIRSA-N 1 0 356.426 2.967 20 5 FFBDRO CN1CC[C@@H]1CNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000928558995 1019022787 /nfs/dbraw/zinc/02/27/87/1019022787.db2.gz ZYNNZWHEOVWJIM-OAHLLOKOSA-N 1 0 355.394 2.608 20 5 FFBDRO CCCNC(=O)[C@H]1CCC[N@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000777954788 1020327546 /nfs/dbraw/zinc/32/75/46/1020327546.db2.gz PYUFNPOGCFSWFA-INIZCTEOSA-N 1 0 371.441 2.654 20 5 FFBDRO O=[N+]([O-])c1cn(CN2CC[C@@H](Cc3nccs3)C2)nc1-c1ccncc1 ZINC000902650244 1020373622 /nfs/dbraw/zinc/37/36/22/1020373622.db2.gz YOQQOMFDEDYICS-ZDUSSCGKSA-N 1 0 370.438 2.832 20 5 FFBDRO O=C(CC[N@@H+]1CCC[C@H]1[C@H]1CCCOC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000828904066 1032898419 /nfs/dbraw/zinc/89/84/19/1032898419.db2.gz BFBSPVSJLMVKIF-GUYCJALGSA-N 1 0 365.405 2.954 20 5 FFBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931433699 1020463356 /nfs/dbraw/zinc/46/33/56/1020463356.db2.gz FKXZWEJUYCRKSA-AEGPPILISA-N 1 0 357.414 2.589 20 5 FFBDRO O=[N+]([O-])c1cc(F)cc(Br)c1O[C@H]1CCC[NH2+]C[C@H]1F ZINC001217944828 1032912224 /nfs/dbraw/zinc/91/22/24/1032912224.db2.gz ATHMVBPDCMZRHY-KOLCDFICSA-N 1 0 351.147 2.965 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H]2CCc3cccc4cccc2c43)c1 ZINC000931810610 1020596673 /nfs/dbraw/zinc/59/66/73/1020596673.db2.gz OOZVWZMDZZAVLK-WMZOPIPTSA-N 1 0 352.394 2.583 20 5 FFBDRO COC(=O)c1nn(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c2ccccc12 ZINC000800866293 1020610576 /nfs/dbraw/zinc/61/05/76/1020610576.db2.gz WWEQMMVHPBXOGU-UHFFFAOYSA-N 1 0 368.393 2.863 20 5 FFBDRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NC[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000900738983 1020621135 /nfs/dbraw/zinc/62/11/35/1020621135.db2.gz KZLYRGGIXVLGRX-KBXCAEBGSA-N 1 0 363.458 2.608 20 5 FFBDRO COc1cc([C@@H](C)[NH2+][C@H]2CCCN(c3cnn(C)c3)C2)cc([N+](=O)[O-])c1 ZINC000903098888 1020676896 /nfs/dbraw/zinc/67/68/96/1020676896.db2.gz BFHKJJSFAHLKNY-HIFRSBDPSA-N 1 0 359.430 2.657 20 5 FFBDRO COc1cc([C@@H](C)[NH2+][C@@H]2CCCN(c3cnn(C)c3)C2)cc([N+](=O)[O-])c1 ZINC000903098891 1020676952 /nfs/dbraw/zinc/67/69/52/1020676952.db2.gz BFHKJJSFAHLKNY-UKRRQHHQSA-N 1 0 359.430 2.657 20 5 FFBDRO Cc1c(NC(=O)CC[N@H+]2CCC[C@@H](c3ccn(C)n3)C2)cccc1[N+](=O)[O-] ZINC000932134629 1020714400 /nfs/dbraw/zinc/71/44/00/1020714400.db2.gz LYNUISPEWWTMMH-OAHLLOKOSA-N 1 0 371.441 2.845 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@@]2(c3ccccc3)C[C@@H](O)C2)n1 ZINC000903271846 1020772570 /nfs/dbraw/zinc/77/25/70/1020772570.db2.gz PCERYSMJUJWLCC-SOAMZJECSA-N 1 0 370.453 2.957 20 5 FFBDRO Cc1nn(CCC(=O)Nc2ccc(C[NH+](C)C)c(F)c2)c(C)c1[N+](=O)[O-] ZINC000749247473 1020899711 /nfs/dbraw/zinc/89/97/11/1020899711.db2.gz GRMHZYVNZYVXAC-UHFFFAOYSA-N 1 0 363.393 2.638 20 5 FFBDRO COc1ccccc1N1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000934176039 1021158263 /nfs/dbraw/zinc/15/82/63/1021158263.db2.gz NIHPPEULTKDCKM-IBGZPJMESA-N 1 0 371.437 2.849 20 5 FFBDRO Cc1nn(CN2CCC[C@@H]([NH+]3CCCC3)CC2)c2ncc([N+](=O)[O-])cc12 ZINC000749954381 1021164295 /nfs/dbraw/zinc/16/42/95/1021164295.db2.gz NCPFBVMAYWEGDB-OAHLLOKOSA-N 1 0 358.446 2.556 20 5 FFBDRO Cc1cccc(NC[C@@H]2CCC[N@@H+]2C[C@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC001116351696 1021176041 /nfs/dbraw/zinc/17/60/41/1021176041.db2.gz ISHFVUOFCWVLBW-ROUUACIJSA-N 1 0 356.426 2.908 20 5 FFBDRO COc1ccc(C[N@H+](CCCO)C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000934504559 1021264686 /nfs/dbraw/zinc/26/46/86/1021264686.db2.gz AJZUPGDBCQCCKV-IBGZPJMESA-N 1 0 360.410 2.521 20 5 FFBDRO COc1cc(O[C@@H]2CC[NH2+][C@H](C)C2)c2c(c1)oc1c(O)ccc(O)c1c2=O ZINC001218052456 1032970509 /nfs/dbraw/zinc/97/05/09/1032970509.db2.gz BJKPHNREQJSPRV-GHMZBOCLSA-N 1 0 371.389 2.885 20 5 FFBDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000750095463 1021338289 /nfs/dbraw/zinc/33/82/89/1021338289.db2.gz YUKCXNWHXKVDQT-WOJBJXKFSA-N 1 0 355.438 2.835 20 5 FFBDRO O=C(C[NH2+][C@H](c1ccncc1)C1CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000934690399 1021350288 /nfs/dbraw/zinc/35/02/88/1021350288.db2.gz BRLMKSSGNXNQAI-IBGZPJMESA-N 1 0 352.394 2.620 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCCC[C@H]([C@H]2CCOC2)C1 ZINC000934836651 1021422019 /nfs/dbraw/zinc/42/20/19/1021422019.db2.gz DVHAJHVNDJPWSD-HOTGVXAUSA-N 1 0 361.442 2.980 20 5 FFBDRO O=C(C[N@@H+]1CCCC[C@@H]([C@H]2CCOC2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000934840513 1021424451 /nfs/dbraw/zinc/42/44/51/1021424451.db2.gz FXJOBENBFZHDIU-SJORKVTESA-N 1 0 373.453 2.623 20 5 FFBDRO Cc1nc(O[C@H]2CCC[C@]23CC[NH2+]C3)c(Br)cc1[N+](=O)[O-] ZINC001218091830 1032992065 /nfs/dbraw/zinc/99/20/65/1032992065.db2.gz GRRUUBKMNLYSKP-GXTWGEPZSA-N 1 0 356.220 2.972 20 5 FFBDRO O=[N+]([O-])c1ccc(O[C@@H]2CC[C@@]23CC[NH2+]C3)c(I)c1 ZINC001218119866 1033006337 /nfs/dbraw/zinc/00/63/37/1033006337.db2.gz ZGVLXHOXUIIUKO-OLZOCXBDSA-N 1 0 374.178 2.720 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)cc1[N+](=O)[O-] ZINC001118627624 1022323926 /nfs/dbraw/zinc/32/39/26/1022323926.db2.gz BIRUUJKHMMYEGU-UPJWGTAASA-N 1 0 370.352 2.670 20 5 FFBDRO Cn1cc(-c2ccc(C[NH2+][C@@](C)(CO)c3cccc([N+](=O)[O-])c3)cc2)cn1 ZINC001119247104 1022633105 /nfs/dbraw/zinc/63/31/05/1022633105.db2.gz RKKPNVVCTOOJHN-FQEVSTJZSA-N 1 0 366.421 2.993 20 5 FFBDRO COc1ccc([C@H]2C[NH2+]CCN2C(=O)c2cccc([N+](=O)[O-])c2C)cc1 ZINC001119308432 1022668789 /nfs/dbraw/zinc/66/87/89/1022668789.db2.gz MHRUPASNFQLYFO-GOSISDBHSA-N 1 0 355.394 2.699 20 5 FFBDRO Cc1cc(C)cc(C[NH+]2CCC3(CCN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)CC2)c1 ZINC001040701199 1022954351 /nfs/dbraw/zinc/95/43/51/1022954351.db2.gz WKCRSJJHYRVCLH-RTBURBONSA-N 1 0 371.481 2.783 20 5 FFBDRO C/C(=C/C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000752029345 1023028552 /nfs/dbraw/zinc/02/85/52/1023028552.db2.gz DPJZJZSKFKIQSY-OJSRQPNCSA-N 1 0 361.442 2.567 20 5 FFBDRO COC(=O)C1(C2(O)CC[NH+](C/C=C/c3ccccc3[N+](=O)[O-])CC2)CCC1 ZINC001119987426 1023195152 /nfs/dbraw/zinc/19/51/52/1023195152.db2.gz TWMPMYPRIPFKIU-QPJJXVBHSA-N 1 0 374.437 2.778 20 5 FFBDRO CC(C)Cn1c([C@@H](C)[N+](=O)[O-])nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC001122823393 1023496482 /nfs/dbraw/zinc/49/64/82/1023496482.db2.gz ZAPYHYJMFZTFSL-LSDHHAIUSA-N 1 0 364.494 2.582 20 5 FFBDRO CCOc1cc(C[NH2+][C@@H](C)[C@@H]2CCCN(C(=O)OC)C2)ccc1[N+](=O)[O-] ZINC000755054975 1023559802 /nfs/dbraw/zinc/55/98/02/1023559802.db2.gz IKVNWOWQYQFSNG-DZGCQCFKSA-N 1 0 365.430 2.950 20 5 FFBDRO Cc1ccccc1CCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001121087434 1023598132 /nfs/dbraw/zinc/59/81/32/1023598132.db2.gz IDCZBMQGPOSTSY-JGQKGBITSA-N 1 0 371.481 2.610 20 5 FFBDRO CC(C)C[N@@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)C1 ZINC000756980459 1023776286 /nfs/dbraw/zinc/77/62/86/1023776286.db2.gz SHIVJWOQYRWUMF-CQSZACIVSA-N 1 0 360.458 2.877 20 5 FFBDRO O=[N+]([O-])c1cc(I)ccc1O[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]12 ZINC001218458380 1033165223 /nfs/dbraw/zinc/16/52/23/1033165223.db2.gz AQDBZOJLBLLRDB-HLUHBDAQSA-N 1 0 374.178 2.576 20 5 FFBDRO O=[N+]([O-])c1ccc(I)c(O[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]23)c1 ZINC001218460822 1033166494 /nfs/dbraw/zinc/16/64/94/1033166494.db2.gz NZVALLLYMCDNCZ-HLUHBDAQSA-N 1 0 374.178 2.576 20 5 FFBDRO CN(C(=O)C[NH2+][C@@H]1CCO[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000191928394 1023940016 /nfs/dbraw/zinc/94/00/16/1023940016.db2.gz IRUDBMYTIMUTCU-MJGOQNOKSA-N 1 0 355.394 2.677 20 5 FFBDRO CC1(C)CCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC(C)(C)[NH2+]1 ZINC001124023018 1024232167 /nfs/dbraw/zinc/23/21/67/1024232167.db2.gz CYVSVZPMIWPARG-UHFFFAOYSA-N 1 0 371.441 2.773 20 5 FFBDRO O=C([C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC001122137355 1024373295 /nfs/dbraw/zinc/37/32/95/1024373295.db2.gz YNWXUIHJIHNACT-YTQUADARSA-N 1 0 357.454 2.937 20 5 FFBDRO COCC[N@H+]1[C@H](C)CN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H]1C ZINC000089934703 1025874813 /nfs/dbraw/zinc/87/48/13/1025874813.db2.gz VEDODVQDMXZBSQ-GASCZTMLSA-N 1 0 374.441 2.791 20 5 FFBDRO COC(=O)[C@@H](C)C[N@@H+](Cc1ccccc1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000246378479 1026081264 /nfs/dbraw/zinc/08/12/64/1026081264.db2.gz ZHDFYIVZRVYCAM-HNAYVOBHSA-N 1 0 372.421 2.940 20 5 FFBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 ZINC000838139388 1026225288 /nfs/dbraw/zinc/22/52/88/1026225288.db2.gz PNSFCBUBRXUIFJ-HNNXBMFYSA-N 1 0 360.458 2.657 20 5 FFBDRO O=C(CC[N@@H+]1C[C@H](O)C[C@@H]1c1ccccc1)Nc1cc([N+](=O)[O-])ccc1F ZINC000839635003 1026768874 /nfs/dbraw/zinc/76/88/74/1026768874.db2.gz FMAWLLVNTAXMMV-CRAIPNDOSA-N 1 0 373.384 2.870 20 5 FFBDRO CC[N@H+](CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O)C1CC(C)(C)C1 ZINC000840184557 1027002848 /nfs/dbraw/zinc/00/28/48/1027002848.db2.gz QAJFMDQKYJMURK-UHFFFAOYSA-N 1 0 360.414 2.831 20 5 FFBDRO COc1nc(N2CCC3(CC2)[NH2+]CCc2ccccc23)ccc1[N+](=O)[O-] ZINC001159011575 1027228889 /nfs/dbraw/zinc/22/88/89/1027228889.db2.gz YFHJILYETSSVOD-UHFFFAOYSA-N 1 0 354.410 2.640 20 5 FFBDRO Cc1c(Nc2cccnc2O[C@@H]2CC[NH2+]C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001159347521 1027361710 /nfs/dbraw/zinc/36/17/10/1027361710.db2.gz XPXSKWJLEYPGLR-GFCCVEGCSA-N 1 0 359.342 2.691 20 5 FFBDRO CCOC(=O)C1C[NH2+]CCC1=Nc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC001159459543 1027398307 /nfs/dbraw/zinc/39/83/07/1027398307.db2.gz NACHYPYVCDZENK-UHFFFAOYSA-N 1 0 368.393 2.879 20 5 FFBDRO Cc1cccc(C)c1C[N@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001160097831 1027589077 /nfs/dbraw/zinc/58/90/77/1027589077.db2.gz KNMXLXVNVODENF-IEBWSBKVSA-N 1 0 357.454 2.607 20 5 FFBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N[C@@H]2CC[NH2+]C[C@H]2C(F)(F)F)n1 ZINC001160737842 1027845662 /nfs/dbraw/zinc/84/56/62/1027845662.db2.gz REYQVYNPJXKPPF-PHDIDXHHSA-N 1 0 371.772 2.712 20 5 FFBDRO CCC(CC)[NH+]1CCC(Nc2ncc([N+](=O)[O-])cc2C(=O)OC)CC1 ZINC001161095417 1028010118 /nfs/dbraw/zinc/01/01/18/1028010118.db2.gz WCFYTZVFZUIBQN-UHFFFAOYSA-N 1 0 350.419 2.841 20 5 FFBDRO COc1nc(NC2CC[NH+](Cc3ccc(O)cc3)CC2)ccc1[N+](=O)[O-] ZINC001161129971 1028027021 /nfs/dbraw/zinc/02/70/21/1028027021.db2.gz JFQJNQGWLAKVCF-UHFFFAOYSA-N 1 0 358.398 2.781 20 5 FFBDRO Cc1ccccc1C[NH+]1CCC2(CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1 ZINC000957547594 1028323455 /nfs/dbraw/zinc/32/34/55/1028323455.db2.gz KWQVSWSFCWTDNQ-RTBURBONSA-N 1 0 371.481 2.865 20 5 FFBDRO COCCC1([NH3+])CCN(c2nc(Cl)nc3ccc([N+](=O)[O-])cc32)CC1 ZINC001162041351 1028411452 /nfs/dbraw/zinc/41/14/52/1028411452.db2.gz HDUQHZAVACZCTR-UHFFFAOYSA-N 1 0 365.821 2.526 20 5 FFBDRO Cc1cc(Cl)nc(-n2nc(C(F)(F)F)c3c2CC[NH2+]C3)c1[N+](=O)[O-] ZINC001154848865 1028483071 /nfs/dbraw/zinc/48/30/71/1028483071.db2.gz BXWXPWNWZKJQPI-UHFFFAOYSA-N 1 0 361.711 2.802 20 5 FFBDRO Cc1cc(NC[C@@H]2CCC[NH2+]C[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001155028700 1028551343 /nfs/dbraw/zinc/55/13/43/1028551343.db2.gz BTDNWNNAYQXWSH-CJNGLKHVSA-N 1 0 355.442 2.830 20 5 FFBDRO O=[N+]([O-])c1ccc2nc(N3CC[N@@H+]4CCc5ccccc5[C@@H]4C3)cnc2c1 ZINC001155091025 1028574178 /nfs/dbraw/zinc/57/41/78/1028574178.db2.gz ICCDEQCWROTWFE-IBGZPJMESA-N 1 0 361.405 2.957 20 5 FFBDRO CCOC1(OCC)CC[NH2+]C[C@H]1Nc1nccc2c1ccc(C)c2[N+](=O)[O-] ZINC001162725884 1028633896 /nfs/dbraw/zinc/63/38/96/1028633896.db2.gz ORGWVOJBNQVXFN-MRXNPFEDSA-N 1 0 374.441 2.995 20 5 FFBDRO CCOC(=O)c1cnc(-n2c3ccccc3nc2[C@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC001162757582 1028646454 /nfs/dbraw/zinc/64/64/54/1028646454.db2.gz BKQBMNURWZLDPT-JTQLQIEISA-N 1 0 355.354 2.525 20 5 FFBDRO Cc1ccc(-c2ccc(NCc3noc4c3C[NH2+]CC4)nn2)cc1[N+](=O)[O-] ZINC001155497706 1028763599 /nfs/dbraw/zinc/76/35/99/1028763599.db2.gz KOUFGKOUKFUGSA-UHFFFAOYSA-N 1 0 366.381 2.606 20 5 FFBDRO CO[C@H](C[NH+]1CCN(c2ccc([N+](=O)[O-])c(C)n2)CC1)c1ccccc1 ZINC001155706560 1028861410 /nfs/dbraw/zinc/86/14/10/1028861410.db2.gz RXBPUZWFVYSEPB-GOSISDBHSA-N 1 0 356.426 2.808 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ccccc2)nc1N[C@@H]1CCO[C@@]2(CC[NH2+]C2)C1 ZINC001163308962 1028886090 /nfs/dbraw/zinc/88/60/90/1028886090.db2.gz FWWDVXSEGRVTDQ-BEFAXECRSA-N 1 0 354.410 2.980 20 5 FFBDRO COC(=O)c1ccc([C@H]([NH3+])CNc2ncc([N+](=O)[O-])cc2Cl)cc1 ZINC001163462836 1028936211 /nfs/dbraw/zinc/93/62/11/1028936211.db2.gz VJJUBKNVEFVNDM-CYBMUJFWSA-N 1 0 350.762 2.542 20 5 FFBDRO COc1cc2ncnc(N3CC[NH2+]C[C@@H]3c3cccs3)c2cc1[N+](=O)[O-] ZINC001156097252 1029046196 /nfs/dbraw/zinc/04/61/96/1029046196.db2.gz GCMXREOEZPFNOH-CQSZACIVSA-N 1 0 371.422 2.759 20 5 FFBDRO Cc1cc(C[NH3+])nn1-c1nc(-c2ccc([N+](=O)[O-])cc2)nc(Cl)c1C ZINC001163980979 1029133382 /nfs/dbraw/zinc/13/33/82/1029133382.db2.gz CJAFOTAGQBPSKA-UHFFFAOYSA-N 1 0 358.789 2.966 20 5 FFBDRO CCOC(=O)c1ccnc(N2CC[N@H+](C3CCCC3)[C@H](C)C2)c1[N+](=O)[O-] ZINC001164145997 1029184583 /nfs/dbraw/zinc/18/45/83/1029184583.db2.gz LNTCBVAYDNVDNT-CYBMUJFWSA-N 1 0 362.430 2.620 20 5 FFBDRO Cc1cc(Cl)nc(N(c2cccc(C[NH3+])c2)S(C)(=O)=O)c1[N+](=O)[O-] ZINC001156487020 1029212503 /nfs/dbraw/zinc/21/25/03/1029212503.db2.gz WLRLAPMRYRSEIN-UHFFFAOYSA-N 1 0 370.818 2.508 20 5 FFBDRO COc1ncc([N+](=O)[O-])c(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)n1 ZINC001164486407 1029292105 /nfs/dbraw/zinc/29/21/05/1029292105.db2.gz NXIBBNPFEFKSLE-OWCLPIDISA-N 1 0 369.425 2.716 20 5 FFBDRO COc1ncc([N+](=O)[O-])c(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)n1 ZINC001164486405 1029292913 /nfs/dbraw/zinc/29/29/13/1029292913.db2.gz NXIBBNPFEFKSLE-BZUAXINKSA-N 1 0 369.425 2.716 20 5 FFBDRO O=C(NCCC1(C[NH2+]Cc2cccc(C(F)F)c2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001164494805 1029298069 /nfs/dbraw/zinc/29/80/69/1029298069.db2.gz TXJSACIZPFZHAT-HUUCEWRRSA-N 1 0 367.396 2.666 20 5 FFBDRO CC(C)Oc1nc(N2CC[NH2+][C@H](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC001164628074 1029347660 /nfs/dbraw/zinc/34/76/60/1029347660.db2.gz WWTWADKJUBOJFC-MRXNPFEDSA-N 1 0 356.426 2.798 20 5 FFBDRO CC[N@@H+]1C[C@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C(C)(C)C1 ZINC001156837486 1029370097 /nfs/dbraw/zinc/37/00/97/1029370097.db2.gz UXNDLPMTOWWNAL-HNNXBMFYSA-N 1 0 351.422 2.858 20 5 FFBDRO CC1([NH+]2CCOCC2)CCN(c2ccc3ccc([N+](=O)[O-])cc3n2)CC1 ZINC001165134627 1029415279 /nfs/dbraw/zinc/41/52/79/1029415279.db2.gz JPVXLKCMXNUHSE-UHFFFAOYSA-N 1 0 356.426 2.834 20 5 FFBDRO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1N(C)c1cc([N+](=O)[O-])cc[n+]1[O-] ZINC001165180687 1029435478 /nfs/dbraw/zinc/43/54/78/1029435478.db2.gz DJOKKRVZWNATSW-CRAIPNDOSA-N 1 0 356.426 2.575 20 5 FFBDRO Cc1ccc(-c2ccc(NCC[NH+]3CCSCC3)nn2)cc1[N+](=O)[O-] ZINC001157045544 1029449073 /nfs/dbraw/zinc/44/90/73/1029449073.db2.gz MQHDGTUDIDCVOZ-UHFFFAOYSA-N 1 0 359.455 2.821 20 5 FFBDRO Cc1ccc(-c2ccc(N3C[C@H]4CCC[N@@H+](C)[C@@H]4C3)nn2)cc1[N+](=O)[O-] ZINC001157269197 1029530002 /nfs/dbraw/zinc/53/00/02/1029530002.db2.gz ASLXSVVQUDUPGZ-CRAIPNDOSA-N 1 0 353.426 2.891 20 5 FFBDRO O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1N(Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC001157436569 1029585958 /nfs/dbraw/zinc/58/59/58/1029585958.db2.gz YTLNFTDTSWCGAB-CQSZACIVSA-N 1 0 362.817 2.640 20 5 FFBDRO CCC[NH+]1C[C@H]2CN(c3nc(Cl)nc(SC)c3[N+](=O)[O-])C[C@@H]2C1 ZINC001157690870 1029646735 /nfs/dbraw/zinc/64/67/35/1029646735.db2.gz GHLYCHPDLBEFAM-UWVGGRQHSA-N 1 0 357.867 2.538 20 5 FFBDRO O=C(CC[N@@H+]1CCC[C@@]2(CCCOC2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000782506209 1029724236 /nfs/dbraw/zinc/72/42/36/1029724236.db2.gz CDBSSJJJGXRTSA-GOSISDBHSA-N 1 0 365.405 2.955 20 5 FFBDRO [NH3+][C@H]1CC[C@H](N(Cc2ccccc2F)c2cc([N+](=O)[O-])cc[n+]2[O-])CC1 ZINC001158147073 1029744580 /nfs/dbraw/zinc/74/45/80/1029744580.db2.gz LCSKMFQVEKWXRP-SHTZXODSSA-N 1 0 360.389 2.644 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N[C@H]1CC(C)(C)C[C@](C)(C[NH3+])C1 ZINC001158270312 1029781196 /nfs/dbraw/zinc/78/11/96/1029781196.db2.gz UYIPDZRBGCUBGB-APPDUMDISA-N 1 0 350.419 2.732 20 5 FFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1c1ncc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001165200069 1029887145 /nfs/dbraw/zinc/88/71/45/1029887145.db2.gz AXTLKXFJIPZBKG-UONOGXRCSA-N 1 0 371.397 2.997 20 5 FFBDRO C[C@H]1CCC[C@](CNC(=O)Cc2cccc(F)c2[N+](=O)[O-])([NH+](C)C)C1 ZINC001142066937 1029955464 /nfs/dbraw/zinc/95/54/64/1029955464.db2.gz ZYQFPTPEZDIGRV-UGSOOPFHSA-N 1 0 351.422 2.903 20 5 FFBDRO [NH3+]C1([C@@H]2CN(c3cc4ncnc(Cl)c4cc3[N+](=O)[O-])C[C@H]2CF)CC1 ZINC001165428226 1029977826 /nfs/dbraw/zinc/97/78/26/1029977826.db2.gz AFRHGWCSYXBHHZ-MWLCHTKSSA-N 1 0 365.796 2.705 20 5 FFBDRO CC(C)(C(=O)O[C@H]1CCC[N@H+](Cc2ccccc2)C1)n1cc([N+](=O)[O-])cn1 ZINC000783441070 1030097440 /nfs/dbraw/zinc/09/74/40/1030097440.db2.gz RPSMYKZOXNFJOG-KRWDZBQOSA-N 1 0 372.425 2.734 20 5 FFBDRO Cc1cccc(N(c2cccc([N+](=O)[O-])n2)[C@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC001165771159 1030116839 /nfs/dbraw/zinc/11/68/39/1030116839.db2.gz JNNPLKHETUJRNK-VQIMIIECSA-N 1 0 354.410 2.957 20 5 FFBDRO [NH3+]CCOc1cccc(NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000841285178 1030157378 /nfs/dbraw/zinc/15/73/78/1030157378.db2.gz PEIJPONKDQVRFQ-UHFFFAOYSA-N 1 0 356.382 2.523 20 5 FFBDRO Cc1cnc(N2CCCn3cnc(C[NH2+]C4CCC4)c3C2)c([N+](=O)[O-])c1 ZINC001165908685 1030166969 /nfs/dbraw/zinc/16/69/69/1030166969.db2.gz MHWCJUANAAWMEH-UHFFFAOYSA-N 1 0 356.430 2.547 20 5 FFBDRO COc1ccc2c(c1)CC[N@@H+](Cn1nc(C)c3cc([N+](=O)[O-])cnc31)CC2 ZINC000783981403 1030387333 /nfs/dbraw/zinc/38/73/33/1030387333.db2.gz VJPNMDNVPBWSFM-UHFFFAOYSA-N 1 0 367.409 2.715 20 5 FFBDRO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001142644204 1030679293 /nfs/dbraw/zinc/67/92/93/1030679293.db2.gz ZHRMWUWUMQGYDQ-MNZLEMJZSA-N 1 0 363.417 2.787 20 5 FFBDRO Cc1cc(C(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)c(N)c([N+](=O)[O-])c1 ZINC000842514053 1030775680 /nfs/dbraw/zinc/77/56/80/1030775680.db2.gz HYLZIALPDRIMLJ-ZBFHGGJFSA-N 1 0 372.400 2.582 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CCCCO)CC2)nc1-c1ccc(F)cc1 ZINC000797435833 1031110025 /nfs/dbraw/zinc/11/00/25/1031110025.db2.gz YPJNNIVUASOLMR-UHFFFAOYSA-N 1 0 374.416 2.690 20 5 FFBDRO C[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H](O)c1ccc(F)cc1 ZINC000843073442 1031171896 /nfs/dbraw/zinc/17/18/96/1031171896.db2.gz IDYPHUINLQAXOK-SGTLLEGYSA-N 1 0 361.373 2.774 20 5 FFBDRO CCc1ccc([C@H]2C[NH2+]CCN2C(=O)c2cc([N+](=O)[O-])ccc2N)cc1 ZINC000843473708 1031419676 /nfs/dbraw/zinc/41/96/76/1031419676.db2.gz YAYXQLULQNCFJG-GOSISDBHSA-N 1 0 354.410 2.526 20 5 FFBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CCc3ccccc3[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000843508785 1031436261 /nfs/dbraw/zinc/43/62/61/1031436261.db2.gz XAZQULLREWQXKU-QGZVFWFLSA-N 1 0 370.365 2.510 20 5 FFBDRO Cc1nn(C[N@H+]2CCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@@H]2O)c2ncc([N+](=O)[O-])cc12 ZINC000799153841 1031669662 /nfs/dbraw/zinc/66/96/62/1031669662.db2.gz AXONWFPFLWTVEB-BIMQEMHKSA-N 1 0 373.457 2.867 20 5 FFBDRO O=C(NCC1([NH2+]Cc2cc(F)ccc2F)CCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001115530772 1031788641 /nfs/dbraw/zinc/78/86/41/1031788641.db2.gz QONAUQBJTBOIBV-GDBMZVCRSA-N 1 0 367.396 2.539 20 5 FFBDRO CC(C)NC(=S)C(C(=O)c1cccc([N+](=O)[O-])c1)[n+]1cccc(CO)c1 ZINC001115824144 1031975730 /nfs/dbraw/zinc/97/57/30/1031975730.db2.gz YSONHWHSZIBLFH-UHFFFAOYSA-O 1 0 374.442 2.584 20 5 FFBDRO C[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(N2CCNC2=O)cc1 ZINC000829743382 1033317843 /nfs/dbraw/zinc/31/78/43/1033317843.db2.gz AIARKVOBBLKKMS-UGSOOPFHSA-N 1 0 370.409 2.509 20 5 FFBDRO CN(C)c1cc(F)c(C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)cc1[N+](=O)[O-] ZINC000830838114 1033813430 /nfs/dbraw/zinc/81/34/30/1033813430.db2.gz JOWWGQDRRCRQQD-MRXNPFEDSA-N 1 0 366.437 2.650 20 5 FFBDRO C[C@@H](C[N+](C)(C)C)OC[C@H]1C[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2O1 ZINC001225107315 1034132149 /nfs/dbraw/zinc/13/21/49/1034132149.db2.gz JUAIWXYYYDHDAB-NXOAAHMSSA-N 1 0 357.515 2.512 20 5 FFBDRO C[C@H](C[N+](C)(C)C)OC[C@@H]1CC2(CO1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001225120032 1034136421 /nfs/dbraw/zinc/13/64/21/1034136421.db2.gz KOEWIVAAIYVYJR-SJORKVTESA-N 1 0 371.542 2.904 20 5 FFBDRO COCC[NH+]1CCC(Oc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC001225504391 1034281851 /nfs/dbraw/zinc/28/18/51/1034281851.db2.gz QXBIQAJLFZIGBJ-UHFFFAOYSA-N 1 0 359.220 2.847 20 5 FFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C1 ZINC000831822703 1034309235 /nfs/dbraw/zinc/30/92/35/1034309235.db2.gz LMJFFVOXCRFMOS-OKILXGFUSA-N 1 0 364.446 2.730 20 5 FFBDRO O=C1C[C@H]2C[C@H](Oc3cccnc3[N+](=O)[O-])[C@@H](C1)N2Cc1ccccc1 ZINC001225633444 1034344955 /nfs/dbraw/zinc/34/49/55/1034344955.db2.gz RVQKYKVAAXMVJG-LESCRADOSA-N 1 0 353.378 2.743 20 5 FFBDRO COC(=O)c1cc(OC)c(O[C@H]2CC[C@H]([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC001226365285 1034651656 /nfs/dbraw/zinc/65/16/56/1034651656.db2.gz XJNHWZSZAKBUMT-JOCQHMNTSA-N 1 0 352.387 2.642 20 5 FFBDRO CC(=O)O[C@H]1C[C@@H]2C[C@H](Oc3ccc([N+](=O)[O-])c(Cl)c3)C[C@H]1[N@@H+]2C ZINC001228759046 1036308061 /nfs/dbraw/zinc/30/80/61/1036308061.db2.gz RQRDYGMUCDVLFD-SPGJAERMSA-N 1 0 354.790 2.794 20 5 FFBDRO C[C@H](C[N+](C)(C)C)Oc1ccc2c(n1)CCN(C(=O)OC(C)(C)C)C2 ZINC001229182028 1036537575 /nfs/dbraw/zinc/53/75/75/1036537575.db2.gz UKWBYZSBSRXXKI-CQSZACIVSA-N 1 0 350.483 2.848 20 5 FFBDRO CC(=O)O[C@@H]1C[C@@H]2C[C@H](Oc3c(C)cc(F)cc3[N+](=O)[O-])C[C@H]1[N@@H+]2C ZINC001229200108 1036548247 /nfs/dbraw/zinc/54/82/47/1036548247.db2.gz CUVJDIIHPGWXFK-TTZDDIAXSA-N 1 0 352.362 2.588 20 5 FFBDRO C[C@H]1CN(C(=O)CCNc2ccccc2[N+](=O)[O-])CCN1c1cc[nH+]cc1 ZINC001536573766 1070009518 /nfs/dbraw/zinc/00/95/18/1070009518.db2.gz URQAJZODDOIPGO-HNNXBMFYSA-N 1 0 369.425 2.529 20 5 FFBDRO CCOC(=O)Cc1ccc([N+](=O)[O-])c(OC2CC[NH+](C(C)C)CC2)c1 ZINC001234410445 1037023686 /nfs/dbraw/zinc/02/36/86/1037023686.db2.gz NIIZVSVUCJIJHN-UHFFFAOYSA-N 1 0 350.415 2.952 20 5 FFBDRO CN(C)c1cc[nH+]c(CNC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC001230367907 1037252704 /nfs/dbraw/zinc/25/27/04/1037252704.db2.gz HTUNBMZXFONVNI-UHFFFAOYSA-N 1 0 363.805 2.709 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(OC[C@H]2CCC3(CC[NH+](C)CC3)O2)cc1[N+](=O)[O-] ZINC001230491142 1037293645 /nfs/dbraw/zinc/29/36/45/1037293645.db2.gz JHUFIYVORBOQTM-CYBMUJFWSA-N 1 0 365.386 2.834 20 5 FFBDRO CC(=O)Cc1c(F)c(O[C@@H]2[C@@H]3CCC[C@H]2C[N@@H+](C)C3)ccc1[N+](=O)[O-] ZINC001230796013 1037361738 /nfs/dbraw/zinc/36/17/38/1037361738.db2.gz GGQSATHDZJVCOP-IVWMJMPLSA-N 1 0 350.390 2.975 20 5 FFBDRO CCC(CC)[NH2+]CCNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC001230894246 1037397602 /nfs/dbraw/zinc/39/76/02/1037397602.db2.gz SVXZQULBVXZKKS-UHFFFAOYSA-N 1 0 356.854 2.868 20 5 FFBDRO C[NH+]1CCC2(CC[C@H](COc3ncnc4cccc([N+](=O)[O-])c43)O2)CC1 ZINC001231052861 1037449664 /nfs/dbraw/zinc/44/96/64/1037449664.db2.gz FZBIZSNCEXCGTR-CYBMUJFWSA-N 1 0 358.398 2.560 20 5 FFBDRO COc1cc(N2CCC([NH2+]CCc3ccccn3)CC2)ccc1[N+](=O)[O-] ZINC001256082004 1038367382 /nfs/dbraw/zinc/36/73/82/1038367382.db2.gz IBJYDYFYBLVEQI-UHFFFAOYSA-N 1 0 356.426 2.800 20 5 FFBDRO CC[C@H](C)[C@@H](CO)[NH2+]C1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC001256086024 1038370816 /nfs/dbraw/zinc/37/08/16/1038370816.db2.gz UVCWAPLXKBSXHD-XJKSGUPXSA-N 1 0 351.447 2.569 20 5 FFBDRO COc1cc(N2CCC([N@H+]3CCC(=O)[C@H](C)CC3)CC2)ccc1[N+](=O)[O-] ZINC001256093258 1038379170 /nfs/dbraw/zinc/37/91/70/1038379170.db2.gz IWVGGPLQZFXDJQ-CQSZACIVSA-N 1 0 361.442 2.873 20 5 FFBDRO COc1cc(N2CCC([N@@H+]3CCC[C@@H](CO)CC3)CC2)ccc1[N+](=O)[O-] ZINC001256094254 1038379925 /nfs/dbraw/zinc/37/99/25/1038379925.db2.gz WKTZUANCYQFWIM-OAHLLOKOSA-N 1 0 363.458 2.667 20 5 FFBDRO COc1cc(N2CCC([N@@H+]3CCO[C@H](C(C)C)C3)CC2)ccc1[N+](=O)[O-] ZINC001256101622 1038387289 /nfs/dbraw/zinc/38/72/89/1038387289.db2.gz PTAUPCKVWZBOOQ-IBGZPJMESA-N 1 0 363.458 2.929 20 5 FFBDRO Cc1sc(-c2nnc(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)o2)cc1[N+](=O)[O-] ZINC001258132378 1039207873 /nfs/dbraw/zinc/20/78/73/1039207873.db2.gz TVZKMPOVPIPNIC-AOOOYVTPSA-N 1 0 352.416 2.666 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC001246201659 1039276819 /nfs/dbraw/zinc/27/68/19/1039276819.db2.gz INGBUIZUAQWDIO-ZBFHGGJFSA-N 1 0 365.474 2.955 20 5 FFBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@@H]2CC[NH2+][C@H]2c2ccccc2)n1 ZINC001247946565 1040068203 /nfs/dbraw/zinc/06/82/03/1040068203.db2.gz NNMCLEUZAKEMLO-OCCSQVGLSA-N 1 0 355.329 2.997 20 5 FFBDRO COc1ncc(-c2noc(C[C@@H]([NH3+])c3ccccc3[N+](=O)[O-])n2)cc1C ZINC001249342673 1040692831 /nfs/dbraw/zinc/69/28/31/1040692831.db2.gz PMYLIDLLVDLFRX-CYBMUJFWSA-N 1 0 355.354 2.599 20 5 FFBDRO Cn1ncc2cc(-c3noc(C[C@@H]([NH3+])c4ccc([N+](=O)[O-])cc4)n3)ccc21 ZINC001249341568 1040693019 /nfs/dbraw/zinc/69/30/19/1040693019.db2.gz BUPAEPXHHKILMX-OAHLLOKOSA-N 1 0 364.365 2.774 20 5 FFBDRO CC(C)(C(N)=O)C1CC[NH+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001254479645 1040744960 /nfs/dbraw/zinc/74/49/60/1040744960.db2.gz GIBGPCXFAGFWHL-UHFFFAOYSA-N 1 0 374.485 2.787 20 5 FFBDRO O=C1CCCN1C1CC[NH+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001254480130 1040747604 /nfs/dbraw/zinc/74/76/04/1040747604.db2.gz ARYZXQWJVLZUCP-UHFFFAOYSA-N 1 0 372.469 2.650 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(N2CCCNC2=O)nc1 ZINC001254548681 1040792141 /nfs/dbraw/zinc/79/21/41/1040792141.db2.gz KIXLKFHKIRGOCO-CQSZACIVSA-N 1 0 369.425 2.630 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]C[C@H]1CN(Cc3ccccc3)CCO1)C2 ZINC001254565312 1040801439 /nfs/dbraw/zinc/80/14/39/1040801439.db2.gz DGUCGIHFVMHMLS-CTNGQTDRSA-N 1 0 367.449 2.553 20 5 FFBDRO O=C(c1ccccc1)N1CCC([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254572499 1040808696 /nfs/dbraw/zinc/80/86/96/1040808696.db2.gz OXYDUPVVVAGJAO-LJQANCHMSA-N 1 0 365.433 2.956 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H](n1nc(COCC3CC3)c3c1C[NH2+]C3)C2 ZINC001254596654 1040825956 /nfs/dbraw/zinc/82/59/56/1040825956.db2.gz PTLOMPMDPJYSKS-INIZCTEOSA-N 1 0 354.410 2.661 20 5 FFBDRO COC[C@@H]1COCCC12CC[NH+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)CC2 ZINC001254597609 1040827647 /nfs/dbraw/zinc/82/76/47/1040827647.db2.gz WMFLOSOMCOYMBG-MJGOQNOKSA-N 1 0 360.454 2.827 20 5 FFBDRO CC(=O)N1CCCCC12CC[NH+]([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)CC2 ZINC001254597136 1040828265 /nfs/dbraw/zinc/82/82/65/1040828265.db2.gz BGWDQEAJLAKSLV-LJQANCHMSA-N 1 0 357.454 2.929 20 5 FFBDRO COc1cc(O[C@@H]2CC[N@@H+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)ccn1 ZINC001254605391 1040834669 /nfs/dbraw/zinc/83/46/69/1040834669.db2.gz BNQXGHOGWQDNMU-FUHWJXTLSA-N 1 0 355.394 2.619 20 5 FFBDRO COC(=O)[C@@H]1C[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)Cc2ccccc21 ZINC001254609385 1040836972 /nfs/dbraw/zinc/83/69/72/1040836972.db2.gz VYBSYHDQMRBWLI-IEBWSBKVSA-N 1 0 352.390 2.834 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H](n1nc(C(F)(F)F)c3c1C[NH2+]CC3)C2 ZINC001254608914 1040837616 /nfs/dbraw/zinc/83/76/16/1040837616.db2.gz TXIOEOOGJZDMER-GFCCVEGCSA-N 1 0 352.316 2.796 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)c1F ZINC001262496327 1041705404 /nfs/dbraw/zinc/70/54/04/1041705404.db2.gz AUQSKQQIMKJFRY-AVGNSLFASA-N 1 0 367.396 2.984 20 5 FFBDRO C[N@@H+]1CCCC[C@@H]1CNC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC001262652524 1041776331 /nfs/dbraw/zinc/77/63/31/1041776331.db2.gz ISXNBCQMDFCIPY-GFCCVEGCSA-N 1 0 370.247 2.500 20 5 FFBDRO O=C([C@@H]1C[NH2+]C[C@H]1Cc1ccccc1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001263083974 1042093497 /nfs/dbraw/zinc/09/34/97/1042093497.db2.gz GCHZKHQDYQXGES-YLJYHZDGSA-N 1 0 365.433 2.558 20 5 FFBDRO C[C@@H]1C[NH2+][C@@H](C)[C@H](C)N1C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001263202346 1042169062 /nfs/dbraw/zinc/16/90/62/1042169062.db2.gz XKZKIJABCFUIPT-WOPDTQHZSA-N 1 0 360.439 2.929 20 5 FFBDRO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001263225809 1042182099 /nfs/dbraw/zinc/18/20/99/1042182099.db2.gz YKLIVQNVKUJLQD-QGZVFWFLSA-N 1 0 351.834 2.925 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC001309742319 1043505193 /nfs/dbraw/zinc/50/51/93/1043505193.db2.gz NDFMODMDYMMLFL-HNNXBMFYSA-N 1 0 367.471 2.507 20 5 FFBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)NCC3(C4CC4)CC3)c2)CC1 ZINC001311244211 1043854734 /nfs/dbraw/zinc/85/47/34/1043854734.db2.gz OQSREKCFDQNLSO-UHFFFAOYSA-N 1 0 373.457 2.658 20 5 FFBDRO C[N@@H+]1CCCC[C@@H]1CNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC001312380989 1044104655 /nfs/dbraw/zinc/10/46/55/1044104655.db2.gz NNPPDLDNXDAGFG-CQSZACIVSA-N 1 0 354.838 2.574 20 5 FFBDRO O=C(NCC1([NH2+]Cc2cccc3ccccc32)CCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001280480105 1044663016 /nfs/dbraw/zinc/66/30/16/1044663016.db2.gz BDEANLURLOATTP-QZTJIDSGSA-N 1 0 353.422 2.634 20 5 FFBDRO Cc1cccc(Cl)c1C[NH2+]CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCC1 ZINC001318633323 1044779966 /nfs/dbraw/zinc/77/99/66/1044779966.db2.gz SYBOBPMTOSAQRL-CZUORRHYSA-N 1 0 365.861 2.832 20 5 FFBDRO CC(C)(C)OC(=O)NOCCC[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC001474726385 1044835581 /nfs/dbraw/zinc/83/55/81/1044835581.db2.gz MOYDDDZYKSUPFH-UHFFFAOYSA-N 1 0 366.374 2.672 20 5 FFBDRO C[N@@H+]1CC[C@@H](NC(=O)NCc2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(F)cc1 ZINC001319691114 1045240944 /nfs/dbraw/zinc/24/09/44/1045240944.db2.gz NAAVHYQBGHARSX-QZTJIDSGSA-N 1 0 372.400 2.979 20 5 FFBDRO COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC001318371502 1045285228 /nfs/dbraw/zinc/28/52/28/1045285228.db2.gz ICUCQAOPPXEPFU-QGZVFWFLSA-N 1 0 369.421 2.998 20 5 FFBDRO C[C@H]([NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])C(=O)NCC(F)(F)F ZINC001319849752 1045285484 /nfs/dbraw/zinc/28/54/84/1045285484.db2.gz HUERXKPANAYQFY-OBJOEFQTSA-N 1 0 373.375 2.963 20 5 FFBDRO COC(=O)c1ccc(OC(=O)c2ccc3c[nH+]cn3c2C)cc1[N+](=O)[O-] ZINC001320234528 1045373346 /nfs/dbraw/zinc/37/33/46/1045373346.db2.gz HCIXZWSERHHFQG-UHFFFAOYSA-N 1 0 355.306 2.557 20 5 FFBDRO CCc1nn(C)c(N2CCC[N@H+](Cc3ccc(C)cc3)CC2)c1[N+](=O)[O-] ZINC001320506261 1045421361 /nfs/dbraw/zinc/42/13/61/1045421361.db2.gz DRDBCJXJEGJMCZ-UHFFFAOYSA-N 1 0 357.458 2.911 20 5 FFBDRO Cc1ccc(C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c(Cl)c1 ZINC001282294976 1045483713 /nfs/dbraw/zinc/48/37/13/1045483713.db2.gz JXWFIVXMIZCHBD-GDBMZVCRSA-N 1 0 367.877 2.888 20 5 FFBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)NCC(F)(F)F)cc1[N+](=O)[O-] ZINC001324946237 1046299923 /nfs/dbraw/zinc/29/99/23/1046299923.db2.gz RMQNMKBRMVIESY-NXEZZACHSA-N 1 0 363.336 2.711 20 5 FFBDRO CO[C@@](C)(CO)C[NH2+]Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001326795783 1047092347 /nfs/dbraw/zinc/09/23/47/1047092347.db2.gz JUTBJRYCKRFDSQ-MRXNPFEDSA-N 1 0 354.790 2.995 20 5 FFBDRO CN(CC(=O)NC[C@H]1CC[N@@H+]1C1CCCCCC1)c1ccccc1[N+](=O)[O-] ZINC001287947051 1047376900 /nfs/dbraw/zinc/37/69/00/1047376900.db2.gz MBEGCCNMOFOMOV-QGZVFWFLSA-N 1 0 374.485 2.944 20 5 FFBDRO O=[N+]([O-])c1ccc(I)c(OC[C@@H]2CCC[NH2+]C2)c1 ZINC001332135631 1048262076 /nfs/dbraw/zinc/26/20/76/1048262076.db2.gz LEMJVWXTEYZYNB-SECBINFHSA-N 1 0 362.167 2.578 20 5 FFBDRO CCN(C(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC001333274221 1048799237 /nfs/dbraw/zinc/79/92/37/1048799237.db2.gz YZFJOMJNXBWUJF-MRXNPFEDSA-N 1 0 360.458 2.655 20 5 FFBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](c2ccc(F)cc2)[C@H]([NH3+])C1 ZINC001333515151 1048951888 /nfs/dbraw/zinc/95/18/88/1048951888.db2.gz ASEQTBBLRBVQPO-NVXWUHKLSA-N 1 0 372.400 2.733 20 5 FFBDRO COC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Br)[C@H]1CCCOC1 ZINC001333630732 1049016415 /nfs/dbraw/zinc/01/64/15/1049016415.db2.gz JNEWYLJOKNSNHW-WFASDCNBSA-N 1 0 373.247 2.889 20 5 FFBDRO Nc1cc([N+](=O)[O-])ccc1C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC001292331336 1049282183 /nfs/dbraw/zinc/28/21/83/1049282183.db2.gz WTCFSRGXRYIAHQ-UHFFFAOYSA-N 1 0 372.450 2.978 20 5 FFBDRO CC(C)[N@H+](C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCC1 ZINC001541604309 1071126088 /nfs/dbraw/zinc/12/60/88/1071126088.db2.gz OZQPALQBTCDAMX-UHFFFAOYSA-N 1 0 358.446 2.794 20 5 FFBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)COc1ccc(CCC[NH3+])cc1 ZINC001339923152 1050338809 /nfs/dbraw/zinc/33/88/09/1050338809.db2.gz RQIMUJLAYKOPAH-UHFFFAOYSA-N 1 0 357.410 2.524 20 5 FFBDRO CC(C)C[C@@](C)(C[NH3+])C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC001339971915 1050386344 /nfs/dbraw/zinc/38/63/44/1050386344.db2.gz FGOGMCVJZHCMRZ-IBGZPJMESA-N 1 0 363.458 2.976 20 5 FFBDRO O=C(c1ccc2c(c1)OCC[NH2+]C2)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001341805589 1050418896 /nfs/dbraw/zinc/41/88/96/1050418896.db2.gz LISAACWQCWVNSU-UHFFFAOYSA-N 1 0 367.405 2.882 20 5 FFBDRO CCn1c(C2CC[NH+](C)CC2)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001340053136 1050462554 /nfs/dbraw/zinc/46/25/54/1050462554.db2.gz HMISUWFDMODHDS-UHFFFAOYSA-N 1 0 370.457 2.578 20 5 FFBDRO O=C([C@@H]1C[NH2+]C[C@H]1Cc1ccccc1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001340105301 1050510417 /nfs/dbraw/zinc/51/04/17/1050510417.db2.gz AILIPIIGPRGRNG-VQIMIIECSA-N 1 0 351.406 2.515 20 5 FFBDRO [NH3+]CC1(c2ccccc2)CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001342090589 1050685210 /nfs/dbraw/zinc/68/52/10/1050685210.db2.gz VLTCDVZENBOWCM-UHFFFAOYSA-N 1 0 353.422 2.656 20 5 FFBDRO O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001342093198 1050687015 /nfs/dbraw/zinc/68/70/15/1050687015.db2.gz ZOBZQNCYVRCBOM-GFCCVEGCSA-N 1 0 355.341 2.507 20 5 FFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NCCn1cncc1-c1ccccc1 ZINC001301783365 1050982004 /nfs/dbraw/zinc/98/20/04/1050982004.db2.gz XNPYYOFPEXZZSB-UHFFFAOYSA-N 1 0 351.366 2.592 20 5 FFBDRO COc1ccc(CC(=O)N2CCCC[C@H]2C2(C[NH3+])CCC2)cc1[N+](=O)[O-] ZINC001342850223 1051457673 /nfs/dbraw/zinc/45/76/73/1051457673.db2.gz REJSZDKQTUHHNI-KRWDZBQOSA-N 1 0 361.442 2.656 20 5 FFBDRO C[C@@H](CNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N)[NH+]1CCC(C)CC1 ZINC001542425752 1071232106 /nfs/dbraw/zinc/23/21/06/1071232106.db2.gz ZJCYZTXIHRKEFF-JTQLQIEISA-N 1 0 372.828 2.820 20 5 FFBDRO CC(C)Cn1c([C@H](C)[N+](=O)[O-])nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001342992935 1051608964 /nfs/dbraw/zinc/60/89/64/1051608964.db2.gz JGLBWKSEIQCVKD-JKSUJKDBSA-N 1 0 364.494 2.584 20 5 FFBDRO COc1ccc(C(=O)N2CCC([C@@H]3CCC[NH2+]CC3)CC2)cc1[N+](=O)[O-] ZINC001341251643 1051611229 /nfs/dbraw/zinc/61/12/29/1051611229.db2.gz UWINFTVMQLVYTC-CQSZACIVSA-N 1 0 361.442 2.845 20 5 FFBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC001343101849 1051719802 /nfs/dbraw/zinc/71/98/02/1051719802.db2.gz CWSVBOKAMYEYIO-FXAWDEMLSA-N 1 0 367.405 2.509 20 5 FFBDRO CC(C)[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC001305228134 1051839451 /nfs/dbraw/zinc/83/94/51/1051839451.db2.gz XMNDZOZUTTYPKP-APWZRJJASA-N 1 0 374.485 2.752 20 5 FFBDRO Cc1c(Br)c(NC[C@@H]2C[NH+]3CCC2CC3)ncc1[N+](=O)[O-] ZINC001307230630 1052273073 /nfs/dbraw/zinc/27/30/73/1052273073.db2.gz TXZGTMDYFNRSJP-LLVKDONJSA-N 1 0 355.236 2.814 20 5 FFBDRO CS[C@H]1CN(Cc2c(Br)cccc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC001307653845 1052330064 /nfs/dbraw/zinc/33/00/64/1052330064.db2.gz AZNZSTRQGIMQCZ-KBPBESRZSA-N 1 0 374.304 2.835 20 5 FFBDRO C[N@H+](CCC(C)(C)C)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001307874215 1052358800 /nfs/dbraw/zinc/35/88/00/1052358800.db2.gz KMSHAXMWCLDOKR-UHFFFAOYSA-N 1 0 362.474 2.611 20 5 FFBDRO COc1ccc(NC(=O)CC[NH2+]C(C)(C)[C@@H]2CCCCO2)c([N+](=O)[O-])c1 ZINC001308016229 1052383997 /nfs/dbraw/zinc/38/39/97/1052383997.db2.gz MPDLEZMYEKIZLE-INIZCTEOSA-N 1 0 365.430 2.869 20 5 FFBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC001308088603 1052403576 /nfs/dbraw/zinc/40/35/76/1052403576.db2.gz HQQOPGRXDJYSGE-CABCVRRESA-N 1 0 369.425 2.528 20 5 FFBDRO CC(C)[C@@H]1CCC[C@H]([NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001308249193 1052436904 /nfs/dbraw/zinc/43/69/04/1052436904.db2.gz BDIZKHBWHIGACG-CABCVRRESA-N 1 0 369.487 2.678 20 5 FFBDRO O=C(N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC001345560412 1052510845 /nfs/dbraw/zinc/51/08/45/1052510845.db2.gz NZGDJXHWZOTQRH-APWZRJJASA-N 1 0 353.378 2.581 20 5 FFBDRO CC[C@@](O)(CCC(F)(F)F)C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001336061236 1053740579 /nfs/dbraw/zinc/74/05/79/1053740579.db2.gz QGKWPQXJSWXTFE-ZIAGYGMSSA-N 1 0 350.337 2.701 20 5 FFBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])NC1(C2CC[NH2+]CC2)CC1 ZINC001336075374 1053751559 /nfs/dbraw/zinc/75/15/59/1053751559.db2.gz KQUNMHAKXHRFDX-UHFFFAOYSA-N 1 0 366.849 2.622 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001336092372 1053762877 /nfs/dbraw/zinc/76/28/77/1053762877.db2.gz BDGBBLYYJYKVIG-BFHYXJOUSA-N 1 0 362.430 2.797 20 5 FFBDRO C[C@@H](Nc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001336570423 1054068073 /nfs/dbraw/zinc/06/80/73/1054068073.db2.gz TZBLCDHSJFGOKG-CHWSQXEVSA-N 1 0 374.441 2.991 20 5 FFBDRO C[C@@H](CNC(=O)N1CCC2(CC[NH2+]CC2)CC1)c1ccccc1[N+](=O)[O-] ZINC001337030136 1054424422 /nfs/dbraw/zinc/42/44/22/1054424422.db2.gz ONNTXODMAVGSMG-HNNXBMFYSA-N 1 0 360.458 2.874 20 5 FFBDRO COc1cc([C@@H](C)[NH2+]C[C@H](CO)CC2CCOCC2)cc([N+](=O)[O-])c1 ZINC001337821947 1055039822 /nfs/dbraw/zinc/03/98/22/1055039822.db2.gz OXODUWRDTBWVIE-UKRRQHHQSA-N 1 0 352.431 2.679 20 5 FFBDRO C[C@H](Cc1ccco1)C(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001338335459 1055427814 /nfs/dbraw/zinc/42/78/14/1055427814.db2.gz JXCXZUBSJYXFHV-CQSZACIVSA-N 1 0 372.425 2.757 20 5 FFBDRO Cn1ccnc1C[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC001356532127 1055559798 /nfs/dbraw/zinc/55/97/98/1055559798.db2.gz IJTREQVZQIACIX-RBUKOAKNSA-N 1 0 366.421 2.935 20 5 FFBDRO O=C(NC1CCN(c2cc[nH+]cc2)CC1)c1cc(F)c([N+](=O)[O-])cc1F ZINC001338498236 1055569930 /nfs/dbraw/zinc/56/99/30/1055569930.db2.gz PEFBIFOVAHWFKI-UHFFFAOYSA-N 1 0 362.336 2.667 20 5 FFBDRO CCn1c(CCc2cccc([N+](=O)[O-])c2)nnc1N1CCC[N@H+](CC)CC1 ZINC001356592621 1055602572 /nfs/dbraw/zinc/60/25/72/1055602572.db2.gz SGORBJGYJQGDKZ-UHFFFAOYSA-N 1 0 372.473 2.523 20 5 FFBDRO CC[NH+](CC)CC[C@H](CO)Nc1ncnc2c(Cl)cc([N+](=O)[O-])cc12 ZINC001350480452 1055794444 /nfs/dbraw/zinc/79/44/44/1055794444.db2.gz SAPZRQUUKKKCMX-LLVKDONJSA-N 1 0 367.837 2.696 20 5 FFBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@H]3CCC[C@H](C(F)(F)F)O3)CC2)n1 ZINC001351413598 1056251242 /nfs/dbraw/zinc/25/12/42/1056251242.db2.gz HRTMDKJQSCVYFN-CHWSQXEVSA-N 1 0 362.352 2.928 20 5 FFBDRO [NH3+]CC[C@H]1Cc2ccccc2N(C(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC001358343605 1056265690 /nfs/dbraw/zinc/26/56/90/1056265690.db2.gz YVNYRZCQYAOGJN-HNNXBMFYSA-N 1 0 369.421 2.918 20 5 FFBDRO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CCc3c(Cl)cccc3[N+](=O)[O-])[C@@H]2C1 ZINC001339317274 1056323346 /nfs/dbraw/zinc/32/33/46/1056323346.db2.gz MFLUBWLKUGMFDL-LNSITVRQSA-N 1 0 351.834 2.637 20 5 FFBDRO C[C@@H]1C[NH+](C(C)(C)CNc2ncnc3ccc([N+](=O)[O-])cc32)C[C@@H](C)O1 ZINC000611701461 1056448341 /nfs/dbraw/zinc/44/83/41/1056448341.db2.gz JKGRFZTUWAXODS-CHWSQXEVSA-N 1 0 359.430 2.838 20 5 FFBDRO C[C@H](OC(=O)c1ccnc(OCC[NH+](C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC001353709024 1056662282 /nfs/dbraw/zinc/66/22/82/1056662282.db2.gz UNHSVZFCPGINAE-ZDUSSCGKSA-N 1 0 359.382 2.848 20 5 FFBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC001544800937 1071694287 /nfs/dbraw/zinc/69/42/87/1071694287.db2.gz NWGITZHFLSMTDI-INIZCTEOSA-N 1 0 351.422 2.999 20 5 FFBDRO CC[N@@H+]1CCC[C@H]1Cn1c(C)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001502281605 1058808627 /nfs/dbraw/zinc/80/86/27/1058808627.db2.gz KDOURYFIHRZLNT-SFHVURJKSA-N 1 0 370.457 2.542 20 5 FFBDRO Cc1cc(C[NH+](C)C)ccc1NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC001451210636 1059093440 /nfs/dbraw/zinc/09/34/40/1059093440.db2.gz NZWCBJZXVCUNSW-UHFFFAOYSA-N 1 0 371.393 2.795 20 5 FFBDRO COc1ccc(C[NH2+]CC2(N(C)C)Cc3ccccc3C2)cc1[N+](=O)[O-] ZINC001200723751 1059246641 /nfs/dbraw/zinc/24/66/41/1059246641.db2.gz JELQYAICCLXTOS-UHFFFAOYSA-N 1 0 355.438 2.792 20 5 FFBDRO CC(C)C[C@H]([NH3+])CC(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC001354622729 1059268441 /nfs/dbraw/zinc/26/84/41/1059268441.db2.gz ZYVBLZAJSCTKNH-LBPRGKRZSA-N 1 0 358.236 2.737 20 5 FFBDRO [NH3+][C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H]1C(F)(F)F ZINC001354782968 1059486760 /nfs/dbraw/zinc/48/67/60/1059486760.db2.gz ZAZJLGDJWBJTMN-RKDXNWHRSA-N 1 0 371.237 2.575 20 5 FFBDRO CCN(CCc1nccs1)CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848482270 1060117426 /nfs/dbraw/zinc/11/74/26/1060117426.db2.gz KXFASTQGMFVSSQ-INIZCTEOSA-N 1 0 374.466 2.889 20 5 FFBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000848487457 1060138240 /nfs/dbraw/zinc/13/82/40/1060138240.db2.gz VFBLVPDCFPDNHX-RDJZCZTQSA-N 1 0 355.442 2.974 20 5 FFBDRO [NH3+]C[C@]12CC[C@H]1CCCN2C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC001355338002 1060146292 /nfs/dbraw/zinc/14/62/92/1060146292.db2.gz CNBXJQJLURNULH-BDJLRTHQSA-N 1 0 355.797 2.660 20 5 FFBDRO COc1cc(OC)cc([C@@H](O)C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000848529094 1060222768 /nfs/dbraw/zinc/22/27/68/1060222768.db2.gz RLUUIEYVIZPOHP-MJGOQNOKSA-N 1 0 358.394 2.923 20 5 FFBDRO C[NH+](C)CC1CCC(NC(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000848585884 1060316327 /nfs/dbraw/zinc/31/63/27/1060316327.db2.gz PLEYVDMKDOWCBT-UHFFFAOYSA-N 1 0 371.384 2.803 20 5 FFBDRO Cn1cc([N+](=O)[O-])c(N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)n1 ZINC001458403996 1060583834 /nfs/dbraw/zinc/58/38/34/1060583834.db2.gz WTGPNSORVYSCGN-UHFFFAOYSA-N 1 0 355.442 2.821 20 5 FFBDRO O=C(CCc1cc(F)ccc1[N+](=O)[O-])Nc1ccc2c(c1)C[NH2+]CCO2 ZINC001521540918 1060949107 /nfs/dbraw/zinc/94/91/07/1060949107.db2.gz NKYJIHVUDDADKI-UHFFFAOYSA-N 1 0 359.357 2.787 20 5 FFBDRO C[C@H]1CC[C@](CO)(NCc2ccc(C(N)=O)cc2[N+](=O)[O-])c2ccccc21 ZINC001460944259 1061158680 /nfs/dbraw/zinc/15/86/80/1061158680.db2.gz FSPUJIQUCPSIRO-RNODOKPDSA-N 1 0 369.421 2.568 20 5 FFBDRO O=C(CC[N@H+]1CCC[C@]1(CO)c1ccccc1)Nc1ccc([N+](=O)[O-])cc1 ZINC001460961606 1061167122 /nfs/dbraw/zinc/16/71/22/1061167122.db2.gz XSWQZDGVQOYXBZ-FQEVSTJZSA-N 1 0 369.421 2.907 20 5 FFBDRO C[N@H+](CCNC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC001526656351 1061206125 /nfs/dbraw/zinc/20/61/25/1061206125.db2.gz PZENGRXWGLQVCU-RTBURBONSA-N 1 0 353.422 2.947 20 5 FFBDRO C[C@@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 ZINC001461755469 1061398866 /nfs/dbraw/zinc/39/88/66/1061398866.db2.gz UXVSXZXTPOTKLR-SNVBAGLBSA-N 1 0 369.830 2.746 20 5 FFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC001476666328 1061455268 /nfs/dbraw/zinc/45/52/68/1061455268.db2.gz XTRCBDFNPSBJMH-LBPRGKRZSA-N 1 0 370.837 2.525 20 5 FFBDRO CC(C)C[N@H+](C)CCCNC(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 ZINC001527560669 1061530371 /nfs/dbraw/zinc/53/03/71/1061530371.db2.gz JWAHECXFCVDSHZ-UHFFFAOYSA-N 1 0 373.457 2.547 20 5 FFBDRO CC[C@H](C)N(CC)C(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001477130229 1061593131 /nfs/dbraw/zinc/59/31/31/1061593131.db2.gz HWLPMOWILLQJRX-AWEZNQCLSA-N 1 0 363.462 2.999 20 5 FFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[C@@H]2C[N@H+](C)C[C@@H]12 ZINC001528151329 1061776263 /nfs/dbraw/zinc/77/62/63/1061776263.db2.gz AQFKBSTXNSIMIA-KBAYOESNSA-N 1 0 360.458 2.855 20 5 FFBDRO CC[N@H+](C)[C@@H]1CCN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC001478578285 1062054137 /nfs/dbraw/zinc/05/41/37/1062054137.db2.gz SPVKNCDXXVPRQV-CYBMUJFWSA-N 1 0 374.363 2.849 20 5 FFBDRO COc1ccc(CC(=O)N2CCCc3cc(CC[NH3+])ccc32)cc1[N+](=O)[O-] ZINC001523577660 1062525941 /nfs/dbraw/zinc/52/59/41/1062525941.db2.gz YIGRERIFSZCKLA-UHFFFAOYSA-N 1 0 369.421 2.627 20 5 FFBDRO C[NH+](C)CCOc1cc(NC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)ccn1 ZINC001435739423 1062552104 /nfs/dbraw/zinc/55/21/04/1062552104.db2.gz KWNVTPUQEQRYGC-SJORKVTESA-N 1 0 370.409 2.672 20 5 FFBDRO COc1ccc(F)cc1CNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC001523665022 1062567328 /nfs/dbraw/zinc/56/73/28/1062567328.db2.gz WEVCQCIBLUTYJA-UHFFFAOYSA-N 1 0 370.340 2.858 20 5 FFBDRO Cc1ccc(NCCCNC(=O)[C@H]2CCC[N@H+]2CC(C)C)c([N+](=O)[O-])c1 ZINC001465291125 1063040684 /nfs/dbraw/zinc/04/06/84/1063040684.db2.gz JZANQTJUSQSLCT-QGZVFWFLSA-N 1 0 362.474 2.942 20 5 FFBDRO O=C(c1[nH]nc([N+](=O)[O-])c1Cl)N(CC[NH+]1CCCC1)c1ccccc1 ZINC001465308339 1063048984 /nfs/dbraw/zinc/04/89/84/1063048984.db2.gz DKGWZTIXGIAGQZ-UHFFFAOYSA-N 1 0 363.805 2.714 20 5 FFBDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC001440641110 1063323657 /nfs/dbraw/zinc/32/36/57/1063323657.db2.gz XENHDISBRMYEOO-JTQLQIEISA-N 1 0 372.828 2.964 20 5 FFBDRO Cc1c(Br)cc(C(=O)N[C@H]2C[N@@H+](C)CC2(C)C)cc1[N+](=O)[O-] ZINC001472025871 1064896921 /nfs/dbraw/zinc/89/69/21/1064896921.db2.gz HJYGFRLPJMBKIL-ZDUSSCGKSA-N 1 0 370.247 2.736 20 5 FFBDRO C[N@@H+]1C[C@H](NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C(C)(C)C1 ZINC001472025488 1064897784 /nfs/dbraw/zinc/89/77/84/1064897784.db2.gz CCPOCWIPACFORG-AWEZNQCLSA-N 1 0 360.439 2.788 20 5 FFBDRO CC(C)C[N@@H+]1CC[C@H](CNc2c3cc([N+](=O)[O-])ccc3ncc2[N+](=O)[O-])C1 ZINC001472730614 1065136296 /nfs/dbraw/zinc/13/62/96/1065136296.db2.gz QTXADVJAYKCAKS-CYBMUJFWSA-N 1 0 373.413 2.863 20 5 FFBDRO C[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC001473785270 1065358394 /nfs/dbraw/zinc/35/83/94/1065358394.db2.gz NOFKERJGJMDMHC-QWRGUYRKSA-N 1 0 369.381 2.855 20 5 FFBDRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)c1cccc([N+](=O)[O-])c1Br ZINC001576118118 1078197482 /nfs/dbraw/zinc/19/74/82/1078197482.db2.gz XNKGIHIKDJMJEV-ONGXEEELSA-N 1 0 356.220 2.699 20 5 FFBDRO COc1cc(C[NH2+][C@H]2COc3c(F)cc(F)cc3C2)c([N+](=O)[O-])cc1O ZINC001474296120 1065486281 /nfs/dbraw/zinc/48/62/81/1065486281.db2.gz ABVGCVRNQOQUSE-GFCCVEGCSA-N 1 0 366.320 2.681 20 5 FFBDRO C[C@@H](CCCNC(=O)OC(C)(C)C)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC001474544319 1065547359 /nfs/dbraw/zinc/54/73/59/1065547359.db2.gz NVVOZHSWUJOCPX-HSBZDZAISA-N 1 0 367.450 2.778 20 5 FFBDRO C[C@H]([NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])[C@H]1COC(C)(C)O1 ZINC001474686500 1065580914 /nfs/dbraw/zinc/58/09/14/1065580914.db2.gz XNAHBZRTBKTJBC-TVQRCGJNSA-N 1 0 359.220 2.987 20 5 FFBDRO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC001576469354 1078231128 /nfs/dbraw/zinc/23/11/28/1078231128.db2.gz MCGYTIUETAUVCU-KRWDZBQOSA-N 1 0 356.426 2.926 20 5 FFBDRO C[C@@H]1CC[C@@H](C[NH3+])N(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])[C@@H]1C ZINC001576649912 1078256835 /nfs/dbraw/zinc/25/68/35/1078256835.db2.gz VEVACAJGKZMHSA-FOGDFJRCSA-N 1 0 357.813 2.904 20 5 FFBDRO CC[C@H]([NH3+])Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H]2CCC[C@H]21 ZINC001577129358 1078307219 /nfs/dbraw/zinc/30/72/19/1078307219.db2.gz WFJHMOFKAPNNBI-OFQRWUPVSA-N 1 0 356.430 2.579 20 5 FFBDRO CC/C=C/Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H]([NH2+]C)C1 ZINC001577313286 1078336139 /nfs/dbraw/zinc/33/61/39/1078336139.db2.gz ZGYVFHQYDDAAIL-MBVDDHJVSA-N 1 0 356.430 2.618 20 5 FFBDRO CC[NH2+]C1CCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC001577818237 1078404301 /nfs/dbraw/zinc/40/43/01/1078404301.db2.gz FXDIRCCDQJAESL-UHFFFAOYSA-N 1 0 356.220 2.571 20 5 FFBDRO C[NH2+]CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C)CC[C@@H]1C ZINC001578720846 1078522566 /nfs/dbraw/zinc/52/25/66/1078522566.db2.gz KCLSNQGJVARPPO-KGLIPLIRSA-N 1 0 358.446 2.698 20 5 FFBDRO C[NH2+]CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](C)CC[C@H]1C ZINC001578720847 1078522837 /nfs/dbraw/zinc/52/28/37/1078522837.db2.gz KCLSNQGJVARPPO-UONOGXRCSA-N 1 0 358.446 2.698 20 5 FFBDRO COc1cc(CN[C@H]2C[C@@H]([NH3+])C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC001579153773 1078576914 /nfs/dbraw/zinc/57/69/14/1078576914.db2.gz LMYUAWULGHXEJY-IYBDPMFKSA-N 1 0 357.410 2.762 20 5 FFBDRO COc1cccc(C[C@H]([NH3+])C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC001579273150 1078606851 /nfs/dbraw/zinc/60/68/51/1078606851.db2.gz ONNHTBQHSRLVJB-DYVFJYSZSA-N 1 0 357.410 2.659 20 5 FFBDRO Cc1c(Br)cc(C(=O)N[C@H]2CC[NH2+]C2(C)C)cc1[N+](=O)[O-] ZINC001579516654 1078638276 /nfs/dbraw/zinc/63/82/76/1078638276.db2.gz PPKBROYQWXTUKB-LBPRGKRZSA-N 1 0 356.220 2.536 20 5 FFBDRO [NH3+][C@@H]1CC2(CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)Oc2ccccc21 ZINC001580166098 1078759016 /nfs/dbraw/zinc/75/90/16/1078759016.db2.gz NWKWBJVZJHDMOI-CYBMUJFWSA-N 1 0 357.366 2.645 20 5 FFBDRO [NH3+]CC[C@@H](NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])C(F)(F)F ZINC001580284413 1078781385 /nfs/dbraw/zinc/78/13/85/1078781385.db2.gz BJFPANBSLQZWNO-SECBINFHSA-N 1 0 359.226 2.623 20 5 FFBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N(CC(F)(F)F)C1CC[NH2+]CC1 ZINC001580545259 1078821693 /nfs/dbraw/zinc/82/16/93/1078821693.db2.gz QWMINDUVOHAMEG-UHFFFAOYSA-N 1 0 359.348 2.670 20 5 FFBDRO O=C(N[C@@H]1CC12CC[NH2+]CC2)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001580604455 1078833631 /nfs/dbraw/zinc/83/36/31/1078833631.db2.gz YLESOYVQKYUDLB-OAHLLOKOSA-N 1 0 352.394 2.529 20 5 FFBDRO Cn1cc([N+](=O)[O-])c(N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)n1 ZINC001559157234 1076130669 /nfs/dbraw/zinc/13/06/69/1076130669.db2.gz CJWDNBTYBUJZMX-UHFFFAOYSA-N 1 0 355.442 2.821 20 5 FFBDRO C[C@H]1CN(c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC001559166980 1076131584 /nfs/dbraw/zinc/13/15/84/1076131584.db2.gz LUQQZTQCEYJPDL-NSHDSACASA-N 1 0 361.364 2.895 20 5 FFBDRO COC1(c2nccn2C)CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC001560115556 1076229849 /nfs/dbraw/zinc/22/98/49/1076229849.db2.gz CIBNPJOXCSVGKP-UHFFFAOYSA-N 1 0 374.441 2.735 20 5 FFBDRO Cc1ccc(C[NH2+]CC2(S(=O)(=O)NC(C)(C)C)CCC2)cc1[N+](=O)[O-] ZINC001560589362 1076282313 /nfs/dbraw/zinc/28/23/13/1076282313.db2.gz MJSLGHQDHMDEPQ-UHFFFAOYSA-N 1 0 369.487 2.633 20 5 FFBDRO C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2N)C[N@@H+]1Cc1ccccc1 ZINC001566338702 1076948239 /nfs/dbraw/zinc/94/82/39/1076948239.db2.gz QCLCYRVGQOFNFO-UKRRQHHQSA-N 1 0 354.410 2.570 20 5 FFBDRO Cc1cc(C)cc(C[NH2+]CCC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 ZINC001568085217 1077070453 /nfs/dbraw/zinc/07/04/53/1077070453.db2.gz SSHVMTMIVXRWJY-RTBURBONSA-N 1 0 359.470 2.687 20 5 FFBDRO O=C(N[C@H]1CCn2cncc21)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001585868303 1079507476 /nfs/dbraw/zinc/50/74/76/1079507476.db2.gz HKNVQJFKRLFADW-LBPRGKRZSA-N 1 0 355.379 2.790 20 5 FFBDRO C[N@@H+]1C[C@@]2(C)CN(C(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)C[C@@]2(C)C1 ZINC001586215144 1079576809 /nfs/dbraw/zinc/57/68/09/1079576809.db2.gz URBQPJXJKKEKFC-KDURUIRLSA-N 1 0 358.442 2.583 20 5 FFBDRO COc1cccc(C[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])c(C)c3)CC[NH2+]2)c1 ZINC001586365047 1079611273 /nfs/dbraw/zinc/61/12/73/1079611273.db2.gz PWYYOBHTNQFWAQ-QGZVFWFLSA-N 1 0 369.421 2.569 20 5 FFBDRO C[C@@H](CNc1ccc([N+](=O)[O-])c(-c2nn[nH]n2)c1)[N@H+](C)Cc1ccccc1 ZINC001589877125 1080825780 /nfs/dbraw/zinc/82/57/80/1080825780.db2.gz MBNSDAZKQTZRHF-ZDUSSCGKSA-N 1 0 367.413 2.707 20 5 FFBDRO C[C@H]([NH2+][C@@H]1Cc2ccc(-c3nn[nH]n3)cc2C1)c1c(F)cccc1[N+](=O)[O-] ZINC001589953525 1080900379 /nfs/dbraw/zinc/90/03/79/1080900379.db2.gz FSUJXDIZRNQVGO-IINYFYTJSA-N 1 0 368.372 2.732 20 5 FFBDRO C[C@H](Nc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])[C@@H](c1ccccc1)[NH+](C)C ZINC001589982323 1080919699 /nfs/dbraw/zinc/91/96/99/1080919699.db2.gz NCUZVKIEXRNVGW-SJCJKPOMSA-N 1 0 367.413 2.878 20 5 FFBDRO CC1(C)[C@@H](C(F)(F)F)CC[N@@H+]1Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001590075517 1080991438 /nfs/dbraw/zinc/99/14/38/1080991438.db2.gz FVLNMOACUZUYKS-LBPRGKRZSA-N 1 0 370.335 2.938 20 5 FFBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC001590189136 1081079186 /nfs/dbraw/zinc/07/91/86/1081079186.db2.gz VJWSVSVQACSCJU-OKILXGFUSA-N 1 0 373.461 2.945 20 5 FFBDRO C[C@H]1C[C@H](C)C[NH+](CCCCNc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC001590189134 1081079831 /nfs/dbraw/zinc/07/98/31/1081079831.db2.gz VJWSVSVQACSCJU-KBPBESRZSA-N 1 0 373.461 2.945 20 5 FFBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(c2ccc(-c3nn[nH]n3)c([N+](=O)[O-])c2)C1 ZINC001590227874 1081108009 /nfs/dbraw/zinc/10/80/09/1081108009.db2.gz TYEXLYDSSSQAKE-GUTXKFCHSA-N 1 0 371.445 2.617 20 5 FFBDRO C[C@H]1CCCC[N@@H+]1CCCCNc1cc(-c2nn[nH]n2)sc1[N+](=O)[O-] ZINC001590260054 1081128500 /nfs/dbraw/zinc/12/85/00/1081128500.db2.gz LRBANQKIMFEIJD-NSHDSACASA-N 1 0 365.463 2.903 20 5 FFBDRO COc1cc(C[NH2+]C[C@@]2(C)CCO[C@@H]2C2CC2)c([N+](=O)[O-])cc1OC ZINC000372983357 512117710 /nfs/dbraw/zinc/11/77/10/512117710.db2.gz URYXVSQFEUIZDA-QZTJIDSGSA-N 1 0 350.415 2.907 20 5 FFBDRO Cn1cc(CN2CC[C@H]([NH+]3CCCC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000092756165 250000560 /nfs/dbraw/zinc/00/05/60/250000560.db2.gz HDUOTARCIFJHGN-SFHVURJKSA-N 1 0 355.442 2.665 20 5 FFBDRO Cn1ccnc1[C@@H](O)C1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000093454487 250035988 /nfs/dbraw/zinc/03/59/88/250035988.db2.gz WQWIPTIOWMGRPE-JXTAAOLFSA-N 1 0 356.426 2.787 20 5 FFBDRO Cn1cc(CN2CC[C@@H](C[NH+]3CCCC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093596961 250040009 /nfs/dbraw/zinc/04/00/09/250040009.db2.gz KNYSWFLPHZPVQU-INIZCTEOSA-N 1 0 369.469 2.913 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)Cc2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000093639091 250040196 /nfs/dbraw/zinc/04/01/96/250040196.db2.gz YBZOQNDGQFZZMT-UKRRQHHQSA-N 1 0 351.447 2.774 20 5 FFBDRO C[C@H]1C[NH+](CCCCNC(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000119104938 250435799 /nfs/dbraw/zinc/43/57/99/250435799.db2.gz APHOHUOUVISWHA-STQMWFEESA-N 1 0 369.849 2.867 20 5 FFBDRO C[NH+]1CCC(CCNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000119988169 250533614 /nfs/dbraw/zinc/53/36/14/250533614.db2.gz QDLSLLTYBLADAK-UHFFFAOYSA-N 1 0 370.247 2.819 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000119910739 250523116 /nfs/dbraw/zinc/52/31/16/250523116.db2.gz DSZCRYRRFNYSTP-HNNXBMFYSA-N 1 0 365.430 2.868 20 5 FFBDRO CC[C@@](C)([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1nccs1 ZINC000173515759 251196503 /nfs/dbraw/zinc/19/65/03/251196503.db2.gz CFBCHQRINPLTSK-CZUORRHYSA-N 1 0 351.428 2.706 20 5 FFBDRO COc1ccc(OCCN(C)Cc2nccn2C(F)F)c([N+](=O)[O-])c1 ZINC000173520161 251198280 /nfs/dbraw/zinc/19/82/80/251198280.db2.gz JNZLHIZDHULZRM-UHFFFAOYSA-N 1 0 356.329 2.706 20 5 FFBDRO COc1cc(NC2CC[NH+](C[C@H]3CCOC3)CC2)c(F)cc1[N+](=O)[O-] ZINC000271123403 251710134 /nfs/dbraw/zinc/71/01/34/251710134.db2.gz YUOREYVCTDJFQY-GFCCVEGCSA-N 1 0 353.394 2.655 20 5 FFBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC000272310245 252006554 /nfs/dbraw/zinc/00/65/54/252006554.db2.gz RUVKVDBPHMMJSD-QSJFSLAZSA-N 1 0 374.485 2.886 20 5 FFBDRO C[NH+](C)CCC1CCN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000272303341 252004808 /nfs/dbraw/zinc/00/48/08/252004808.db2.gz HAQAJYCNLCGKBC-UHFFFAOYSA-N 1 0 355.385 2.877 20 5 FFBDRO Cn1ccnc1[C@H](NCCC1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000272470367 252045745 /nfs/dbraw/zinc/04/57/45/252045745.db2.gz AEZATNVNKGTGLS-GOSISDBHSA-N 1 0 357.458 2.739 20 5 FFBDRO Cc1cc(N2CCN(c3cnccn3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272870783 252152345 /nfs/dbraw/zinc/15/23/45/252152345.db2.gz SOOUBJWQFUZAJO-UHFFFAOYSA-N 1 0 350.382 2.568 20 5 FFBDRO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000033837140 208100933 /nfs/dbraw/zinc/10/09/33/208100933.db2.gz ICAFRERHFPMZMS-BWTRYIQHSA-N 1 0 351.406 2.889 20 5 FFBDRO CS[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1[NH+]1CCCC1 ZINC000275703312 256040425 /nfs/dbraw/zinc/04/04/25/256040425.db2.gz JSUVFDOGGPGLNC-LSDHHAIUSA-N 1 0 350.444 2.638 20 5 FFBDRO C[NH+](C)CCc1ccc(CNC(=O)NCCc2ccccc2[N+](=O)[O-])cc1 ZINC000276167150 256077905 /nfs/dbraw/zinc/07/79/05/256077905.db2.gz SQQGXOPNQQAFPO-UHFFFAOYSA-N 1 0 370.453 2.741 20 5 FFBDRO CC(C)[N@@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000276294469 256087661 /nfs/dbraw/zinc/08/76/61/256087661.db2.gz MHJQGPSNJNRFSZ-ZDUSSCGKSA-N 1 0 355.460 2.531 20 5 FFBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3Br)[C@H]2C1 ZINC000277262016 256177649 /nfs/dbraw/zinc/17/76/49/256177649.db2.gz LMAHMWCHWYPUNE-GWCFXTLKSA-N 1 0 368.231 2.524 20 5 FFBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000285765130 257003620 /nfs/dbraw/zinc/00/36/20/257003620.db2.gz KUZDWHSNHXVKOR-RDJZCZTQSA-N 1 0 372.469 2.894 20 5 FFBDRO CCc1n[nH]c(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000278430108 256312086 /nfs/dbraw/zinc/31/20/86/256312086.db2.gz CYGFRFPWNGESIH-BBRMVZONSA-N 1 0 371.441 2.521 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000278726089 256341774 /nfs/dbraw/zinc/34/17/74/256341774.db2.gz LKYSBAUHXIGMGR-CQSZACIVSA-N 1 0 362.430 2.620 20 5 FFBDRO O=C([C@H]1CCC[N@@H+]1C1CC1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000279204721 256392622 /nfs/dbraw/zinc/39/26/22/256392622.db2.gz ONEKNMLPEMFHMO-GOSISDBHSA-N 1 0 359.426 2.591 20 5 FFBDRO C[C@@H]1C[N@@H+](CCCNc2ncnc3sc([N+](=O)[O-])cc32)C[C@H](C)O1 ZINC000286264043 257028401 /nfs/dbraw/zinc/02/84/01/257028401.db2.gz WACCMDZBHQWFGI-PHIMTYICSA-N 1 0 351.432 2.511 20 5 FFBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3ccnc(-c4ccccc4)c3[N+](=O)[O-])[C@H]2C1 ZINC000286492304 257039734 /nfs/dbraw/zinc/03/97/34/257039734.db2.gz TXFMIZAAQNCUHW-YOEHRIQHSA-N 1 0 366.421 2.823 20 5 FFBDRO CC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000286720109 257051471 /nfs/dbraw/zinc/05/14/71/257051471.db2.gz DZDRDQIESMUGSV-GOSISDBHSA-N 1 0 369.421 2.976 20 5 FFBDRO CC(=O)c1cc(NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000286912503 257061688 /nfs/dbraw/zinc/06/16/88/257061688.db2.gz PPOFEFNRGURPNQ-SFHVURJKSA-N 1 0 369.421 2.976 20 5 FFBDRO C[C@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC[N@@H+]1CC(C)(C)O ZINC000289514835 257284916 /nfs/dbraw/zinc/28/49/16/257284916.db2.gz BXHDKFWNAYAEBP-NSHDSACASA-N 1 0 370.837 2.557 20 5 FFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000290075839 257314433 /nfs/dbraw/zinc/31/44/33/257314433.db2.gz IOUMTVBDFTUNQL-AWEZNQCLSA-N 1 0 351.834 2.639 20 5 FFBDRO COc1cc(C(=O)NCCCC[NH+]2CCC(C)CC2)c([N+](=O)[O-])cc1F ZINC000294577378 257593633 /nfs/dbraw/zinc/59/36/33/257593633.db2.gz SUVYPBZABPAPAZ-UHFFFAOYSA-N 1 0 367.421 2.984 20 5 FFBDRO Cc1nc(NCc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)ncc1[N+](=O)[O-] ZINC000296189226 257680558 /nfs/dbraw/zinc/68/05/58/257680558.db2.gz BJQUPGQQHZCPCF-KBPBESRZSA-N 1 0 371.441 2.915 20 5 FFBDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000301145175 258028490 /nfs/dbraw/zinc/02/84/90/258028490.db2.gz AIFONBSYEGNFKK-CYBMUJFWSA-N 1 0 369.487 2.921 20 5 FFBDRO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1CC[NH+](C2CCCC2)CC1 ZINC000301290733 258040187 /nfs/dbraw/zinc/04/01/87/258040187.db2.gz PBMKAIFPTVKSSX-UHFFFAOYSA-N 1 0 365.405 2.975 20 5 FFBDRO Cc1ccnc(NC[C@H](C)[NH+]2CCN(c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000301306209 258041656 /nfs/dbraw/zinc/04/16/56/258041656.db2.gz USXBEQZIQGERGC-INIZCTEOSA-N 1 0 355.442 2.921 20 5 FFBDRO Cc1n[nH]c(C(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)c1[N+](=O)[O-] ZINC000299460723 257996149 /nfs/dbraw/zinc/99/61/49/257996149.db2.gz YPAICDYBNOLKHE-CYBMUJFWSA-N 1 0 371.441 2.931 20 5 FFBDRO Cc1cc(NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)ncc1[N+](=O)[O-] ZINC000302044766 258084328 /nfs/dbraw/zinc/08/43/28/258084328.db2.gz JXNAEXQIZIBVGB-QGZVFWFLSA-N 1 0 356.426 2.867 20 5 FFBDRO Cc1cc(N2CCN(c3ccnc(C)n3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302137805 258090398 /nfs/dbraw/zinc/09/03/98/258090398.db2.gz CATUXYZYDYZCRQ-UHFFFAOYSA-N 1 0 364.409 2.876 20 5 FFBDRO Cc1nsc(N2CCN(c3cc(C)[nH+]c4ccc([N+](=O)[O-])cc43)CC2)n1 ZINC000302158113 258091443 /nfs/dbraw/zinc/09/14/43/258091443.db2.gz JERRRLSEZNYICE-UHFFFAOYSA-N 1 0 370.438 2.938 20 5 FFBDRO C[C@@H]1CN(c2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CCN1CCO ZINC000302345025 258099235 /nfs/dbraw/zinc/09/92/35/258099235.db2.gz ASUFLWHLFYCZRA-SECBINFHSA-N 1 0 367.755 2.770 20 5 FFBDRO C[C@@H]1C[NH+](CC2CCN(c3c4c(ccc3[N+](=O)[O-])NCC4)CC2)C[C@@H](C)O1 ZINC000302456814 258102803 /nfs/dbraw/zinc/10/28/03/258102803.db2.gz QPCGGAJEBXSBMK-HUUCEWRRSA-N 1 0 374.485 2.888 20 5 FFBDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1c1ccc(Br)cc1[N+](=O)[O-] ZINC000302568637 258106389 /nfs/dbraw/zinc/10/63/89/258106389.db2.gz XXHTXVRDPQRFPF-LLVKDONJSA-N 1 0 372.263 2.639 20 5 FFBDRO Cc1cc(NC[C@H](C)N2CC[NH+](C)CC2)c(Br)cc1[N+](=O)[O-] ZINC000302676254 258107623 /nfs/dbraw/zinc/10/76/23/258107623.db2.gz MWELZKWFGXRMBU-LBPRGKRZSA-N 1 0 371.279 2.714 20 5 FFBDRO CC[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC[N@@H+]1C[C@H](C)O ZINC000301428785 258049304 /nfs/dbraw/zinc/04/93/04/258049304.db2.gz FEGREVFYOMLCKL-NWDGAFQWSA-N 1 0 361.364 2.895 20 5 FFBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000301884069 258072465 /nfs/dbraw/zinc/07/24/65/258072465.db2.gz LJRFXFMTTPJLRQ-MJBXVCDLSA-N 1 0 369.487 2.777 20 5 FFBDRO O=[N+]([O-])c1cnc2ccc(NC[C@H](c3cccs3)[NH+]3CCCC3)nn21 ZINC000301912292 258073996 /nfs/dbraw/zinc/07/39/96/258073996.db2.gz GXPWNCOSSYABSR-GFCCVEGCSA-N 1 0 358.427 2.948 20 5 FFBDRO O=[N+]([O-])c1cnc2ccc(NC3CC[NH+](Cc4ccc(F)cc4)CC3)nn21 ZINC000301922510 258075512 /nfs/dbraw/zinc/07/55/12/258075512.db2.gz LGYWFTGQCOANGJ-UHFFFAOYSA-N 1 0 370.388 2.853 20 5 FFBDRO C[NH+](C)CC1CCC(Nc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000301944271 258077011 /nfs/dbraw/zinc/07/70/11/258077011.db2.gz ZCMLZUUNVJSCCF-UHFFFAOYSA-N 1 0 361.489 2.592 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000330606656 258166482 /nfs/dbraw/zinc/16/64/82/258166482.db2.gz ODYYAKMCDLPQKU-UHFFFAOYSA-N 1 0 363.458 2.703 20 5 FFBDRO O=C(CCN1CCC([NH+]2CCCCC2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000331412653 258185244 /nfs/dbraw/zinc/18/52/44/258185244.db2.gz PTFZBCPLCPMRFC-UHFFFAOYSA-N 1 0 360.458 2.874 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000331900399 258205214 /nfs/dbraw/zinc/20/52/14/258205214.db2.gz GWUCUGCCKBAICO-CQSZACIVSA-N 1 0 367.471 2.507 20 5 FFBDRO C[C@H]1CCCN(c2ccc(C(=O)NCC3=CC[N@H+](C)CC3)cc2[N+](=O)[O-])C1 ZINC000332055480 258211770 /nfs/dbraw/zinc/21/17/70/258211770.db2.gz NDZDUYLTQFCAIO-HNNXBMFYSA-N 1 0 372.469 2.823 20 5 FFBDRO CS[C@H]1CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000332069344 258212340 /nfs/dbraw/zinc/21/23/40/258212340.db2.gz BBMSSMDOCCXUOB-KBPBESRZSA-N 1 0 369.874 2.900 20 5 FFBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000332075798 258212632 /nfs/dbraw/zinc/21/26/32/258212632.db2.gz FWQNKAQGXRRGMH-YPMHNXCESA-N 1 0 369.368 2.895 20 5 FFBDRO CS[C@@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000332082743 258213353 /nfs/dbraw/zinc/21/33/53/258213353.db2.gz OLCIGEBIFYJXOE-LSDHHAIUSA-N 1 0 369.874 2.900 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000332391718 258228460 /nfs/dbraw/zinc/22/84/60/258228460.db2.gz MGMOHSNXWNBPDM-AEFFLSMTSA-N 1 0 361.442 2.570 20 5 FFBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3ccc(OC(F)F)c([N+](=O)[O-])c3)CC[C@@H]21 ZINC000332485928 258231898 /nfs/dbraw/zinc/23/18/98/258231898.db2.gz AWAGWPRYPZUFAR-STQMWFEESA-N 1 0 369.368 2.753 20 5 FFBDRO C[C@@H]1C[C@@H](NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC[N@@H+]1C ZINC000332608925 258237176 /nfs/dbraw/zinc/23/71/76/258237176.db2.gz BEIAPZKVXFXAJR-YPMHNXCESA-N 1 0 360.439 2.931 20 5 FFBDRO Cn1cc(N2CC[C@H]([NH2+][C@@H](Cc3ccccc3[N+](=O)[O-])C3CC3)C2)cn1 ZINC000375028513 512128601 /nfs/dbraw/zinc/12/86/01/512128601.db2.gz CXLFKLFVJPHYHX-WMZOPIPTSA-N 1 0 355.442 2.518 20 5 FFBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000378192618 512631770 /nfs/dbraw/zinc/63/17/70/512631770.db2.gz UGJVYPACLFYAHK-STQMWFEESA-N 1 0 368.231 2.714 20 5 FFBDRO Cn1ccnc1[C@@H]1CCCN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C1 ZINC000373055644 512151313 /nfs/dbraw/zinc/15/13/13/512151313.db2.gz FVSDIZIZDXHBNC-CQSZACIVSA-N 1 0 369.425 2.605 20 5 FFBDRO CCOc1cc(C(=O)NC2CC[NH+](C(C)C)CC2)c([N+](=O)[O-])cc1OC ZINC000052951075 506283143 /nfs/dbraw/zinc/28/31/43/506283143.db2.gz PIRRMADEBIQXKB-UHFFFAOYSA-N 1 0 365.430 2.605 20 5 FFBDRO CC(C)[NH+]1CCC(NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000053134067 506318863 /nfs/dbraw/zinc/31/88/63/506318863.db2.gz MYRWFLAXKQMCQY-UHFFFAOYSA-N 1 0 371.441 2.598 20 5 FFBDRO CC(C)[NH+]1CCC(N(C)C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000065723101 506350520 /nfs/dbraw/zinc/35/05/20/506350520.db2.gz BVTPJJDNRGTUGZ-UHFFFAOYSA-N 1 0 358.442 2.881 20 5 FFBDRO C[C@@H](CNC(=O)CNc1ccccc1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000065866108 506382224 /nfs/dbraw/zinc/38/22/24/506382224.db2.gz QYYKLQPSOQHJDJ-HNNXBMFYSA-N 1 0 368.437 2.570 20 5 FFBDRO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000371019610 512180488 /nfs/dbraw/zinc/18/04/88/512180488.db2.gz SPXLVKHMAIDEOR-IAGOWNOFSA-N 1 0 372.469 2.799 20 5 FFBDRO C[NH+](C)CCOc1cccc(NC(=O)NCc2ccccc2[N+](=O)[O-])c1 ZINC000410138913 512210902 /nfs/dbraw/zinc/21/09/02/512210902.db2.gz VRTVSGCPKXBFJE-UHFFFAOYSA-N 1 0 358.398 2.857 20 5 FFBDRO Cc1c(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)cccc1[N+](=O)[O-] ZINC000053990309 506472176 /nfs/dbraw/zinc/47/21/76/506472176.db2.gz GKPWJRUJELRJBL-UHFFFAOYSA-N 1 0 354.410 2.693 20 5 FFBDRO CC[NH+]1CCN(Cc2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2)CC1 ZINC000041577872 506532936 /nfs/dbraw/zinc/53/29/36/506532936.db2.gz UOWDLRQZRFVFMQ-UHFFFAOYSA-N 1 0 368.437 2.985 20 5 FFBDRO C[NH+](C)[C@@H](CNC(=O)NCCc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000054645826 506595046 /nfs/dbraw/zinc/59/50/46/506595046.db2.gz NZOGRBJAKNNCSN-LJQANCHMSA-N 1 0 370.453 2.609 20 5 FFBDRO C[NH+](C)[C@H](CNC(=O)NCCc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000054644157 506595159 /nfs/dbraw/zinc/59/51/59/506595159.db2.gz ZURQDIZZFVAOGQ-GOSISDBHSA-N 1 0 374.416 2.879 20 5 FFBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)[N@@H+]1CCc2ccccc2C1 ZINC000054761452 506615673 /nfs/dbraw/zinc/61/56/73/506615673.db2.gz QKLCZARINNGGCZ-ZDUSSCGKSA-N 1 0 357.385 2.911 20 5 FFBDRO CCOc1cc(C(=O)NC[C@@H](CC(C)C)[NH+](C)C)c([N+](=O)[O-])cc1OC ZINC000042585650 506637766 /nfs/dbraw/zinc/63/77/66/506637766.db2.gz OPTBGVWRLOOBKC-CYBMUJFWSA-N 1 0 367.446 2.708 20 5 FFBDRO Cc1cc(NCc2cccc(C(=O)NCC[NH+](C)C)c2)ccc1[N+](=O)[O-] ZINC000066816433 506651717 /nfs/dbraw/zinc/65/17/17/506651717.db2.gz ZDVSCPWLXPRAMH-UHFFFAOYSA-N 1 0 356.426 2.807 20 5 FFBDRO NC(=O)c1ccc(C[NH+]2CCC(c3ccc(O)cc3)CC2)c([N+](=O)[O-])c1 ZINC000055103295 506676331 /nfs/dbraw/zinc/67/63/31/506676331.db2.gz AOIHKRBMFGYQNB-UHFFFAOYSA-N 1 0 355.394 2.779 20 5 FFBDRO CC(C)N(CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000066962068 506712810 /nfs/dbraw/zinc/71/28/10/506712810.db2.gz WCNSGAHXSFYODC-UHFFFAOYSA-N 1 0 374.485 2.548 20 5 FFBDRO CC[NH+](CC)[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)c1ccco1 ZINC000067274431 506812919 /nfs/dbraw/zinc/81/29/19/506812919.db2.gz YUEYMMHRISTREX-AWEZNQCLSA-N 1 0 364.377 2.722 20 5 FFBDRO CC(C)[NH+]1CCC(Nc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])CC1 ZINC000067382967 506854972 /nfs/dbraw/zinc/85/49/72/506854972.db2.gz ZHZCEFJWZURRIH-UHFFFAOYSA-N 1 0 371.441 2.844 20 5 FFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CCN1C(=O)c2ccccc2C1=O ZINC000067446448 506885112 /nfs/dbraw/zinc/88/51/12/506885112.db2.gz YDSHKAVAMZZYSF-ZDUSSCGKSA-N 1 0 353.378 2.884 20 5 FFBDRO O=C1[C@@H]([NH+]2CCC3(CCOCC3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000375398489 512305180 /nfs/dbraw/zinc/30/51/80/512305180.db2.gz XDMQNVFVJCRDDY-KRWDZBQOSA-N 1 0 359.426 2.593 20 5 FFBDRO C[NH+](C)[C@@H](CNC(=O)NCc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000067722822 506989288 /nfs/dbraw/zinc/98/92/88/506989288.db2.gz WBTBVLSLTRJINX-KRWDZBQOSA-N 1 0 360.389 2.836 20 5 FFBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)c2c(c1)COCO2 ZINC000375409672 512311608 /nfs/dbraw/zinc/31/16/08/512311608.db2.gz XTDGGIQZHTYIEE-GFCCVEGCSA-N 1 0 372.381 2.711 20 5 FFBDRO C[NH+](C)[C@H](CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])C1CCCCC1 ZINC000045802192 507023475 /nfs/dbraw/zinc/02/34/75/507023475.db2.gz ZFNYYEDYEICRHD-QGZVFWFLSA-N 1 0 369.487 2.921 20 5 FFBDRO COc1ccc(CC(=O)NCCC[N@H+](C)C2CCCCC2)cc1[N+](=O)[O-] ZINC000067905186 507046346 /nfs/dbraw/zinc/04/63/46/507046346.db2.gz YWDNDQVSSIKENZ-UHFFFAOYSA-N 1 0 363.458 2.917 20 5 FFBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000068184705 507140612 /nfs/dbraw/zinc/14/06/12/507140612.db2.gz XEAPLLMVNNIJCA-IBGZPJMESA-N 1 0 369.421 2.754 20 5 FFBDRO C[NH+]1CCN(Cc2cccc(NC(=O)Cc3ccccc3[N+](=O)[O-])c2)CC1 ZINC000057053934 507162161 /nfs/dbraw/zinc/16/21/61/507162161.db2.gz NNZUDQVPBDZJHL-UHFFFAOYSA-N 1 0 368.437 2.523 20 5 FFBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000057148227 507184927 /nfs/dbraw/zinc/18/49/27/507184927.db2.gz SCVHEPWTLFHNJR-HZSPNIEDSA-N 1 0 369.487 2.777 20 5 FFBDRO C[C@@H](CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)[N@H+](C)C1CC1 ZINC000057713364 507315119 /nfs/dbraw/zinc/31/51/19/507315119.db2.gz JADQBLIHSSIBRQ-HNNXBMFYSA-N 1 0 363.461 2.754 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000069124912 507414966 /nfs/dbraw/zinc/41/49/66/507414966.db2.gz ZTEXXIWCKGRXGY-MRXNPFEDSA-N 1 0 367.471 2.542 20 5 FFBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000058496462 507428120 /nfs/dbraw/zinc/42/81/20/507428120.db2.gz ZZINOZUMBYTUCL-ZZXKWVIFSA-N 1 0 366.421 2.784 20 5 FFBDRO COc1ccc(CC(=O)NCc2ccc(C[NH+](C)C)cc2)cc1[N+](=O)[O-] ZINC000069368748 507476942 /nfs/dbraw/zinc/47/69/42/507476942.db2.gz QKPVTWQKHKHIJQ-UHFFFAOYSA-N 1 0 357.410 2.524 20 5 FFBDRO CCCC[NH+]1CCC(NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000069428682 507490812 /nfs/dbraw/zinc/49/08/12/507490812.db2.gz MYGDHDDNEZZEHY-UHFFFAOYSA-N 1 0 364.446 2.537 20 5 FFBDRO Nc1c(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)cc(F)cc1[N+](=O)[O-] ZINC000048312500 507499847 /nfs/dbraw/zinc/49/98/47/507499847.db2.gz IBOGOHGWKVKALQ-QGZVFWFLSA-N 1 0 372.400 2.883 20 5 FFBDRO C[C@H](CNC(=O)COc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCc2ccccc2C1 ZINC000025631845 507516380 /nfs/dbraw/zinc/51/63/80/507516380.db2.gz YRMBRTZAXOMTOG-OAHLLOKOSA-N 1 0 369.421 2.537 20 5 FFBDRO C[C@@H](CNC(=O)COc1ccccc1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000025632891 507517960 /nfs/dbraw/zinc/51/79/60/507517960.db2.gz IXJWELOMULQXOG-HNNXBMFYSA-N 1 0 369.421 2.537 20 5 FFBDRO Nc1nc(NCc2cccc(C[NH+]3CCCCCC3)c2)ncc1[N+](=O)[O-] ZINC000060862806 507581741 /nfs/dbraw/zinc/58/17/41/507581741.db2.gz WJOZDRJLBCWSJC-UHFFFAOYSA-N 1 0 356.430 2.955 20 5 FFBDRO C[NH+](C)Cc1ccc(CNC(=O)NCCNc2ccc([N+](=O)[O-])cc2)cc1 ZINC000027366342 507651033 /nfs/dbraw/zinc/65/10/33/507651033.db2.gz QYPYYQSSETXTHG-UHFFFAOYSA-N 1 0 371.441 2.568 20 5 FFBDRO CCOc1ccc(C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)cc1[N+](=O)[O-] ZINC000071028783 507683333 /nfs/dbraw/zinc/68/33/33/507683333.db2.gz IZGDYQDARQFKOK-UHFFFAOYSA-N 1 0 353.338 2.827 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000063467663 507733051 /nfs/dbraw/zinc/73/30/51/507733051.db2.gz FRHFFSUMVJOZHL-UHFFFAOYSA-N 1 0 357.410 2.774 20 5 FFBDRO CC[N@@H+](Cc1ccc(OC)cc1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000051406162 507768836 /nfs/dbraw/zinc/76/88/36/507768836.db2.gz VBDWORKFHITATA-KRWDZBQOSA-N 1 0 360.410 2.865 20 5 FFBDRO CNC(=O)c1ccc(N2CC[NH+](CC3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000064129046 507785751 /nfs/dbraw/zinc/78/57/51/507785751.db2.gz AGQKYULGFFJDKG-UHFFFAOYSA-N 1 0 360.458 2.657 20 5 FFBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000052561184 507813966 /nfs/dbraw/zinc/81/39/66/507813966.db2.gz HCHGZNPNHIBPNG-UHFFFAOYSA-N 1 0 369.421 2.998 20 5 FFBDRO COC(=O)c1cc(C(=O)Nc2ccccc2C[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000031232785 507818274 /nfs/dbraw/zinc/81/82/74/507818274.db2.gz HLIHNFDWGZULHT-UHFFFAOYSA-N 1 0 357.366 2.695 20 5 FFBDRO CC(=O)c1ccc(NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000089643908 507853316 /nfs/dbraw/zinc/85/33/16/507853316.db2.gz LIZOKBMDPBKRFD-ROUUACIJSA-N 1 0 369.421 2.845 20 5 FFBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)c1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000078454786 507872236 /nfs/dbraw/zinc/87/22/36/507872236.db2.gz VCVUUOXESSPTNO-INIZCTEOSA-N 1 0 360.458 2.798 20 5 FFBDRO CC[N@@H+]1CC[C@H](CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000107891508 507872961 /nfs/dbraw/zinc/87/29/61/507872961.db2.gz STIAYMQLRSDGTE-MRXNPFEDSA-N 1 0 363.461 2.613 20 5 FFBDRO CN(C)c1cccc(C[N@H+](C)[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c1 ZINC000089923393 507883836 /nfs/dbraw/zinc/88/38/36/507883836.db2.gz ODFLULWFXRFLCB-LJQANCHMSA-N 1 0 368.437 2.898 20 5 FFBDRO C[N@@H+]1CCC[C@@H](CNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000108336564 507887461 /nfs/dbraw/zinc/88/74/61/507887461.db2.gz BSYAUIIRFYCGIO-LBPRGKRZSA-N 1 0 360.439 2.790 20 5 FFBDRO Cc1cnc(NCc2ccc(CN3CC[NH+](C)CC3)cc2)c([N+](=O)[O-])c1 ZINC000078630958 507891637 /nfs/dbraw/zinc/89/16/37/507891637.db2.gz KLNAUANOCDLIBE-UHFFFAOYSA-N 1 0 355.442 2.658 20 5 FFBDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000108818995 507920026 /nfs/dbraw/zinc/92/00/26/507920026.db2.gz NLXRFVOHDFARJP-CHWSQXEVSA-N 1 0 373.457 2.957 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(CC[NH+](C)C)C1CCCCC1 ZINC000079068321 507930150 /nfs/dbraw/zinc/93/01/50/507930150.db2.gz RDAFTHGNEMVNOT-UHFFFAOYSA-N 1 0 369.487 2.788 20 5 FFBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCCN(CC(F)(F)F)CC2)cc1 ZINC000079482813 507966827 /nfs/dbraw/zinc/96/68/27/507966827.db2.gz VLNDLOOWIVLLRY-UHFFFAOYSA-N 1 0 361.364 2.934 20 5 FFBDRO Cc1c(NC(=O)CC[N@H+](CCCO)CC(C)(C)C)cccc1[N+](=O)[O-] ZINC000109747818 507984364 /nfs/dbraw/zinc/98/43/64/507984364.db2.gz OUKDITAXSYAVNE-UHFFFAOYSA-N 1 0 351.447 2.962 20 5 FFBDRO COC(=O)CC[N@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)C(C)C ZINC000074321136 508012050 /nfs/dbraw/zinc/01/20/50/508012050.db2.gz SJSXKYDSPGPNRN-UHFFFAOYSA-N 1 0 351.403 2.505 20 5 FFBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])C1 ZINC000079927693 508016550 /nfs/dbraw/zinc/01/65/50/508016550.db2.gz AEODEMXAFFDFST-BETUJISGSA-N 1 0 359.430 2.611 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)c1 ZINC000110356106 508023319 /nfs/dbraw/zinc/02/33/19/508023319.db2.gz PTHLVRLZDWVDHG-CQSZACIVSA-N 1 0 357.410 2.854 20 5 FFBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000110594725 508036220 /nfs/dbraw/zinc/03/62/20/508036220.db2.gz VCOIMBDDVOKJOO-AWEZNQCLSA-N 1 0 356.426 2.887 20 5 FFBDRO Cc1cc(S(=O)(=O)N2C[C@H](CC[NH3+])c3ccccc32)ccc1[N+](=O)[O-] ZINC000373521525 512375264 /nfs/dbraw/zinc/37/52/64/512375264.db2.gz OIONCUWHWXTVRO-ZDUSSCGKSA-N 1 0 361.423 2.545 20 5 FFBDRO CC(C)[N@H+](C)Cc1cccc(CNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)c1 ZINC000110870867 508052310 /nfs/dbraw/zinc/05/23/10/508052310.db2.gz FHGMUNRHBXPDAI-UHFFFAOYSA-N 1 0 373.457 2.683 20 5 FFBDRO Cc1cc(N2CCC([NH2+]CCOc3ccccc3)CC2)ncc1[N+](=O)[O-] ZINC000074764725 508053196 /nfs/dbraw/zinc/05/31/96/508053196.db2.gz VWTCHCQBYWKPEY-UHFFFAOYSA-N 1 0 356.426 2.936 20 5 FFBDRO COCc1cc([N+](=O)[O-])ccc1NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000080543127 508082235 /nfs/dbraw/zinc/08/22/35/508082235.db2.gz IUWXHCCVZMECSO-UHFFFAOYSA-N 1 0 371.441 2.500 20 5 FFBDRO C[C@@H](CNC(=O)NCc1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1ccccc1 ZINC000111480057 508103215 /nfs/dbraw/zinc/10/32/15/508103215.db2.gz ZMILJPGJYZMGOK-HNNXBMFYSA-N 1 0 356.426 2.915 20 5 FFBDRO COc1ccc(C[N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1O ZINC000080962236 508117738 /nfs/dbraw/zinc/11/77/38/508117738.db2.gz MISIRGLETGVNGK-UHFFFAOYSA-N 1 0 359.382 2.770 20 5 FFBDRO CC(C)(C)[NH2+]CCNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000075652141 508125787 /nfs/dbraw/zinc/12/57/87/508125787.db2.gz CHQDQLBYWFPZLO-UHFFFAOYSA-N 1 0 351.450 2.659 20 5 FFBDRO Cc1ccc([C@@H]2CCC[C@@H]2[N@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000075886703 508140474 /nfs/dbraw/zinc/14/04/74/508140474.db2.gz VBPIHOAOPHWRNW-FHWLQOOXSA-N 1 0 358.442 2.729 20 5 FFBDRO C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)CC(C)(CO)CO ZINC000093502488 508146909 /nfs/dbraw/zinc/14/69/09/508146909.db2.gz LTMDVPSIHATEQT-UHFFFAOYSA-N 1 0 368.817 2.931 20 5 FFBDRO CC(=O)Nc1ccccc1C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000093534766 508148140 /nfs/dbraw/zinc/14/81/40/508148140.db2.gz FVULVTLCALYBTF-OAHLLOKOSA-N 1 0 355.398 2.635 20 5 FFBDRO Cc1cccc([C@@H]2CCCC[N@@H+]2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1C ZINC000075999871 508150300 /nfs/dbraw/zinc/15/03/00/508150300.db2.gz CDZSQJOJSNPEKF-HKUYNNGSSA-N 1 0 358.442 2.996 20 5 FFBDRO O=C(NCC1([NH+]2CCSCC2)CCCCC1)c1ccc([N+](=O)[O-])o1 ZINC000112186957 508158684 /nfs/dbraw/zinc/15/86/84/508158684.db2.gz JMDSJUWEBCMMHY-UHFFFAOYSA-N 1 0 353.444 2.669 20 5 FFBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 ZINC000081363967 508167831 /nfs/dbraw/zinc/16/78/31/508167831.db2.gz HXHDWGDSCQYJST-INIZCTEOSA-N 1 0 374.485 2.999 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)[C@H](C)C1 ZINC000076490164 508213340 /nfs/dbraw/zinc/21/33/40/508213340.db2.gz DYWIUZWJTYFHGC-RDTXWAMCSA-N 1 0 371.441 2.583 20 5 FFBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N1CCC(C[NH+]2CCCC2)CC1 ZINC000112918924 508233164 /nfs/dbraw/zinc/23/31/64/508233164.db2.gz MKSMVNMSAXFBEF-UHFFFAOYSA-N 1 0 360.458 2.731 20 5 FFBDRO O=[N+]([O-])c1c(NCC2([NH+]3CCCCC3)CCOCC2)nc2sccn21 ZINC000076702386 508243441 /nfs/dbraw/zinc/24/34/41/508243441.db2.gz FVSKWNZLPVSFTL-UHFFFAOYSA-N 1 0 365.459 2.751 20 5 FFBDRO Cc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)[NH+]2CCCC2)o1 ZINC000101678667 508254015 /nfs/dbraw/zinc/25/40/15/508254015.db2.gz OZNSFGLKGNSYCQ-OAHLLOKOSA-N 1 0 359.382 2.769 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CCCN3CCOCC3)cs2)c1 ZINC000113311876 508260452 /nfs/dbraw/zinc/26/04/52/508260452.db2.gz ZYXVOZIBMXRCGJ-UHFFFAOYSA-N 1 0 362.455 2.530 20 5 FFBDRO CN(CC[NH+]1CCCC1)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000103116837 508296992 /nfs/dbraw/zinc/29/69/92/508296992.db2.gz NKTKRZAEYNVZGR-UHFFFAOYSA-N 1 0 360.439 2.886 20 5 FFBDRO Cc1c(NC(=O)[C@@H](C)N2CCC[C@H]([NH+]3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000077315453 508299327 /nfs/dbraw/zinc/29/93/27/508299327.db2.gz KYIWIERHVWQLTA-CVEARBPZSA-N 1 0 360.458 2.790 20 5 FFBDRO C[C@@H]1C[NH+](CCCCNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000085457682 508309628 /nfs/dbraw/zinc/30/96/28/508309628.db2.gz GBBUOUVPRBXRJW-CHWSQXEVSA-N 1 0 369.849 2.867 20 5 FFBDRO O=C(Cc1cccc([N+](=O)[O-])c1)Nc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC000086238655 508323044 /nfs/dbraw/zinc/32/30/44/508323044.db2.gz NFCZYGORWKTSPT-UHFFFAOYSA-N 1 0 369.421 2.733 20 5 FFBDRO Cn1cc(C[NH2+]C[C@@](C)(O)c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000114508633 508323357 /nfs/dbraw/zinc/32/33/57/508323357.db2.gz KIEGTHZDLKIHQF-HXUWFJFHSA-N 1 0 366.421 2.993 20 5 FFBDRO O=C(Cc1ccccc1[N+](=O)[O-])NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000114643274 508333543 /nfs/dbraw/zinc/33/35/43/508333543.db2.gz BHPXKJJIEZMVNR-GOSISDBHSA-N 1 0 353.422 2.918 20 5 FFBDRO CC(C)OCC[NH+]1CCC(NC(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000087453184 508352932 /nfs/dbraw/zinc/35/29/32/508352932.db2.gz JAZVIHMCCIBNQJ-UHFFFAOYSA-N 1 0 363.458 2.533 20 5 FFBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000105177206 508364267 /nfs/dbraw/zinc/36/42/67/508364267.db2.gz SNXWZXVQOVQTGB-SFHVURJKSA-N 1 0 360.458 2.797 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000106364030 508399803 /nfs/dbraw/zinc/39/98/03/508399803.db2.gz ONQSLEDANFTMEN-DGCLKSJQSA-N 1 0 355.822 2.568 20 5 FFBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000115640058 508420618 /nfs/dbraw/zinc/42/06/18/508420618.db2.gz VDCCLMSEVGPAFL-PBHICJAKSA-N 1 0 364.446 2.853 20 5 FFBDRO CCC(CC)[C@H](CNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-])[NH+](C)C ZINC000121827648 508426922 /nfs/dbraw/zinc/42/69/22/508426922.db2.gz YWKGWAJCOOPCNO-AWEZNQCLSA-N 1 0 357.476 2.777 20 5 FFBDRO C[C@H](CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C[NH+]1CCCCC1 ZINC000156712819 508466631 /nfs/dbraw/zinc/46/66/31/508466631.db2.gz YOQJVEAGCFQNEV-CQSZACIVSA-N 1 0 358.442 2.857 20 5 FFBDRO C[C@@H]1CCCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H]1C[NH3+] ZINC000156807256 508480470 /nfs/dbraw/zinc/48/04/70/508480470.db2.gz IOEFQIYQKDPSKT-IAQYHMDHSA-N 1 0 360.439 2.918 20 5 FFBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000157119641 508525991 /nfs/dbraw/zinc/52/59/91/508525991.db2.gz LRPCHFGOGCROIL-CRAIPNDOSA-N 1 0 360.458 2.730 20 5 FFBDRO CN(C(=O)CN1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000157184842 508534329 /nfs/dbraw/zinc/53/43/29/508534329.db2.gz NBQLHLLIWIOFAB-QGZVFWFLSA-N 1 0 360.458 2.508 20 5 FFBDRO CN(C(=O)CN1CCC[C@H]([NH+]2CCCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000157184691 508534680 /nfs/dbraw/zinc/53/46/80/508534680.db2.gz NBQLHLLIWIOFAB-KRWDZBQOSA-N 1 0 360.458 2.508 20 5 FFBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NCC[NH+]1CCCCC1 ZINC000116727722 508552418 /nfs/dbraw/zinc/55/24/18/508552418.db2.gz CEWGKUMHYKEXOK-UHFFFAOYSA-N 1 0 355.822 2.619 20 5 FFBDRO C[NH+]1CCC(CCNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000116742886 508553627 /nfs/dbraw/zinc/55/36/27/508553627.db2.gz HYCIZHDRNVLCHA-UHFFFAOYSA-N 1 0 369.849 2.865 20 5 FFBDRO O=C(CN1CCc2c(cccc2[N+](=O)[O-])C1)N1CCCc2ccccc21 ZINC000153201563 508558038 /nfs/dbraw/zinc/55/80/38/508558038.db2.gz BYQQLOFCOAODRJ-UHFFFAOYSA-N 1 0 351.406 2.932 20 5 FFBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCCN2CCOC)cc1[N+](=O)[O-] ZINC000153553780 508596541 /nfs/dbraw/zinc/59/65/41/508596541.db2.gz YVEAPJWMEWWIOJ-HOCLYGCPSA-N 1 0 351.447 2.755 20 5 FFBDRO O=C(CC[NH+]1CCC(n2cccn2)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000128597443 508617015 /nfs/dbraw/zinc/61/70/15/508617015.db2.gz QMLAGFUIPWWWOQ-UHFFFAOYSA-N 1 0 361.377 2.596 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000123021411 508623387 /nfs/dbraw/zinc/62/33/87/508623387.db2.gz QOJDKOIZSXVYJT-CYBMUJFWSA-N 1 0 350.419 2.847 20 5 FFBDRO O=C1[C@H]([NH+]2CCC(C3CCOCC3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000153713586 508632677 /nfs/dbraw/zinc/63/26/77/508632677.db2.gz YCOKIKWXDUKGTD-LJQANCHMSA-N 1 0 373.453 2.839 20 5 FFBDRO C[NH+]1CCN(Cc2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc2)CC1 ZINC000118869157 508689179 /nfs/dbraw/zinc/68/91/79/508689179.db2.gz HEQJNFFGXMKUFB-UHFFFAOYSA-N 1 0 354.410 2.595 20 5 FFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000119036180 508711524 /nfs/dbraw/zinc/71/15/24/508711524.db2.gz UNMXMMYRDXQWRK-BEFAXECRSA-N 1 0 368.437 2.915 20 5 FFBDRO COc1ccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1[N+](=O)[O-] ZINC000154086512 508713903 /nfs/dbraw/zinc/71/39/03/508713903.db2.gz DTQKPJAORGWDIM-HOCLYGCPSA-N 1 0 359.426 2.692 20 5 FFBDRO C[C@H]1C[NH+](CCCCNC(=O)c2cccc(Cl)c2[N+](=O)[O-])C[C@H](C)O1 ZINC000123627127 508716905 /nfs/dbraw/zinc/71/69/05/508716905.db2.gz XKUMXXYQHVMOEH-STQMWFEESA-N 1 0 369.849 2.867 20 5 FFBDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000123822153 508743735 /nfs/dbraw/zinc/74/37/35/508743735.db2.gz QWWJLNYJTOPESM-AWEZNQCLSA-N 1 0 358.442 2.999 20 5 FFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCC(c3nnc4ccccn43)CC2)c1 ZINC000154246124 508744809 /nfs/dbraw/zinc/74/48/09/508744809.db2.gz UFXWDWOCOMANGS-KRWDZBQOSA-N 1 0 367.409 2.551 20 5 FFBDRO C[C@H]1C[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2Br)CC[N@@H+]1C ZINC000123977975 508766464 /nfs/dbraw/zinc/76/64/64/508766464.db2.gz GICDPHFVCUAYNX-QWRGUYRKSA-N 1 0 370.247 2.912 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@]1(N2CCOCC2)CCSC1 ZINC000154439449 508785687 /nfs/dbraw/zinc/78/56/87/508785687.db2.gz PZSMHLHZXFRYQR-CRAIPNDOSA-N 1 0 365.499 2.762 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[NH+](C2CCCCC2)CC1 ZINC000141675374 508818071 /nfs/dbraw/zinc/81/80/71/508818071.db2.gz HNNMTOFFFRPUMF-UHFFFAOYSA-N 1 0 360.458 2.792 20 5 FFBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000130730220 508837842 /nfs/dbraw/zinc/83/78/42/508837842.db2.gz OCEWOJOQKMLFTK-CZUORRHYSA-N 1 0 367.421 2.601 20 5 FFBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CC[NH2+]C[C@H]3C)cc2[N+](=O)[O-])C1 ZINC000124566738 508852005 /nfs/dbraw/zinc/85/20/05/508852005.db2.gz DWILAGJESUTVGP-QLFBSQMISA-N 1 0 360.458 2.511 20 5 FFBDRO CCC[C@@H]1CN(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC[N@@H+]1CCOC ZINC000154866018 508872629 /nfs/dbraw/zinc/87/26/29/508872629.db2.gz SKHWNSKDDDJBCZ-MRXNPFEDSA-N 1 0 364.446 2.868 20 5 FFBDRO O=C(NCc1ccco1)[C@H]1CCC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000124744016 508878412 /nfs/dbraw/zinc/87/84/12/508878412.db2.gz IPJXFCZZWDINLW-GOSISDBHSA-N 1 0 373.409 2.738 20 5 FFBDRO CCOc1ccc(NC(=O)C[NH2+][C@H]2CC(C)(C)OC2(C)C)c([N+](=O)[O-])c1 ZINC000119881486 508882766 /nfs/dbraw/zinc/88/27/66/508882766.db2.gz BUJNJBUSBWLEOQ-HNNXBMFYSA-N 1 0 365.430 2.868 20 5 FFBDRO COc1cc(C[NH2+]C[C@@H]2CCCO2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000131304271 508912793 /nfs/dbraw/zinc/91/27/93/508912793.db2.gz BABAJEQLTBLNGX-NSHDSACASA-N 1 0 364.320 2.813 20 5 FFBDRO C[C@H](CNC(=O)c1ccc(F)cc1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000120090230 508925978 /nfs/dbraw/zinc/92/59/78/508925978.db2.gz LOJMHLQHYSOPHM-CYBMUJFWSA-N 1 0 357.385 2.911 20 5 FFBDRO Cn1cc(C[NH2+]C[C@@H]2CSCCS2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000151100393 508956409 /nfs/dbraw/zinc/95/64/09/508956409.db2.gz PGNYHYAPODFKMX-OAHLLOKOSA-N 1 0 364.496 2.934 20 5 FFBDRO CC[C@H]1CN(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)CC[N@@H+]1CCOC ZINC000120262190 508960401 /nfs/dbraw/zinc/96/04/01/508960401.db2.gz ZLCKVFXEPXIQAV-HNNXBMFYSA-N 1 0 364.446 2.786 20 5 FFBDRO C[C@H]1CCCN(c2ccc(C(=O)NC3CCC([NH3+])CC3)cc2[N+](=O)[O-])C1 ZINC000131718016 508963266 /nfs/dbraw/zinc/96/32/66/508963266.db2.gz ZWELIFLULGSMOK-JEYLPNPQSA-N 1 0 360.458 2.831 20 5 FFBDRO CNC(=O)c1ccc(NCc2ccccc2OCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000120286753 508965130 /nfs/dbraw/zinc/96/51/30/508965130.db2.gz OWFQQGAHZDFQLB-UHFFFAOYSA-N 1 0 372.425 2.507 20 5 FFBDRO C[NH+](C)[C@@H](CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)Cc1ccccc1 ZINC000120294420 508966769 /nfs/dbraw/zinc/96/67/69/508966769.db2.gz ZDXBYGBJGSZMAR-MRXNPFEDSA-N 1 0 366.421 2.979 20 5 FFBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000120657729 509040019 /nfs/dbraw/zinc/04/00/19/509040019.db2.gz FSVCBBZGPPYXPH-QGZVFWFLSA-N 1 0 360.458 2.701 20 5 FFBDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000155630169 509041325 /nfs/dbraw/zinc/04/13/25/509041325.db2.gz BJQJBGNGOACINV-HNNXBMFYSA-N 1 0 368.437 2.874 20 5 FFBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](C[NH3+])C2CCCCC2)cc1OC ZINC000155644123 509044593 /nfs/dbraw/zinc/04/45/93/509044593.db2.gz QSGHDAWTGKUPEH-CQSZACIVSA-N 1 0 365.430 2.640 20 5 FFBDRO CC[N@H+](C)Cc1cccc(CNC(=O)c2ccc([N+](=O)[O-])c(OC)c2)c1 ZINC000160924376 509049057 /nfs/dbraw/zinc/04/90/57/509049057.db2.gz RAACVOPIQJTVPI-UHFFFAOYSA-N 1 0 357.410 2.985 20 5 FFBDRO CCC[C@H]([NH2+]C1CCN(S(=O)(=O)CC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000120762304 509059934 /nfs/dbraw/zinc/05/99/34/509059934.db2.gz JGZXBCKIYAQVFF-KRWDZBQOSA-N 1 0 369.487 2.840 20 5 FFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000120794617 509065751 /nfs/dbraw/zinc/06/57/51/509065751.db2.gz PGBWBUNZQONXGB-CQSZACIVSA-N 1 0 374.466 2.767 20 5 FFBDRO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000126980526 509155218 /nfs/dbraw/zinc/15/52/18/509155218.db2.gz SBAUMTIYKWDSMD-AWEZNQCLSA-N 1 0 358.442 2.727 20 5 FFBDRO CN(CC1CC[NH+](C)CC1)C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000121276985 509161437 /nfs/dbraw/zinc/16/14/37/509161437.db2.gz WNXWHTPJXVGGRE-UHFFFAOYSA-N 1 0 370.247 2.771 20 5 FFBDRO CCOC(=O)c1ccnc(N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000161927636 509164972 /nfs/dbraw/zinc/16/49/72/509164972.db2.gz NZZAUIHXTMPWOB-CJNGLKHVSA-N 1 0 374.441 2.620 20 5 FFBDRO O=C([C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000161974944 509167360 /nfs/dbraw/zinc/16/73/60/509167360.db2.gz LPQIRGBJAVLFQC-CCKFTAQKSA-N 1 0 373.453 2.885 20 5 FFBDRO Cc1c(CC(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000162334233 509201325 /nfs/dbraw/zinc/20/13/25/509201325.db2.gz ZOIAKQCHQBEKSO-GOSISDBHSA-N 1 0 355.438 2.735 20 5 FFBDRO COc1cccc(CN(CC[NH+](C)C)C(=O)Cc2ccccc2[N+](=O)[O-])c1 ZINC000191953910 509262834 /nfs/dbraw/zinc/26/28/34/509262834.db2.gz BUKPDMCNGNAMFY-UHFFFAOYSA-N 1 0 371.437 2.736 20 5 FFBDRO Cc1cc(C)c(S(=O)(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000191992784 509281918 /nfs/dbraw/zinc/28/19/18/509281918.db2.gz URHOUCZHHLDDBR-OAHLLOKOSA-N 1 0 369.487 2.707 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCC[C@H](C4OCCO4)C3)co2)cc1 ZINC000179184161 509308074 /nfs/dbraw/zinc/30/80/74/509308074.db2.gz NRCHKNSNBRCEBT-AWEZNQCLSA-N 1 0 359.382 2.835 20 5 FFBDRO CC(C)c1ccc(C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000188958702 509342634 /nfs/dbraw/zinc/34/26/34/509342634.db2.gz QXJNMMRNGMUEPJ-GJZGRUSLSA-N 1 0 363.458 2.947 20 5 FFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000267094589 509343659 /nfs/dbraw/zinc/34/36/59/509343659.db2.gz JDJFLUPTCZYXEQ-MLGOLLRUSA-N 1 0 369.512 2.629 20 5 FFBDRO C[NH+](C)CCN(Cc1ccccc1F)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173028542 509357506 /nfs/dbraw/zinc/35/75/06/509357506.db2.gz ONULUHNXGDXPBZ-UHFFFAOYSA-N 1 0 359.401 2.867 20 5 FFBDRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173028834 509357982 /nfs/dbraw/zinc/35/79/82/509357982.db2.gz BLSDBSHEVAPCNE-UHFFFAOYSA-N 1 0 359.401 2.867 20 5 FFBDRO O=[N+]([O-])c1ccn(CC[NH2+]C2(c3ccc(Br)cc3)CC2)n1 ZINC000176222017 509386352 /nfs/dbraw/zinc/38/63/52/509386352.db2.gz BKEYDPFOJCVONS-UHFFFAOYSA-N 1 0 351.204 2.833 20 5 FFBDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000267276379 509423661 /nfs/dbraw/zinc/42/36/61/509423661.db2.gz UHCRAJVONBJKLG-LSDHHAIUSA-N 1 0 360.458 2.904 20 5 FFBDRO CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000185938379 509437526 /nfs/dbraw/zinc/43/75/26/509437526.db2.gz BNONDLCJFYFDKF-ILXRZTDVSA-N 1 0 364.446 2.766 20 5 FFBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000173256896 509483280 /nfs/dbraw/zinc/48/32/80/509483280.db2.gz GVPRHDCWBZJQQA-BBRMVZONSA-N 1 0 369.487 2.508 20 5 FFBDRO CC(C)[C@](C)(C[NH3+])NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000236730406 509493072 /nfs/dbraw/zinc/49/30/72/509493072.db2.gz CGAJVSVYSBIZRR-IBGZPJMESA-N 1 0 362.474 2.934 20 5 FFBDRO CCCN(CCC[NH+](C)C)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000189271340 509494622 /nfs/dbraw/zinc/49/46/22/509494622.db2.gz MBGWESHGOJPJDA-UHFFFAOYSA-N 1 0 359.430 2.584 20 5 FFBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000267467883 509501161 /nfs/dbraw/zinc/50/11/61/509501161.db2.gz MUWKHIXCAZBNKE-GFCCVEGCSA-N 1 0 370.247 2.914 20 5 FFBDRO C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])CC1(c2ccccc2)CC1 ZINC000189298187 509507847 /nfs/dbraw/zinc/50/78/47/509507847.db2.gz JREIMLMRCMWELA-KRWDZBQOSA-N 1 0 356.422 2.998 20 5 FFBDRO C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183029260 509556545 /nfs/dbraw/zinc/55/65/45/509556545.db2.gz CLVYCIKZBKRTBV-KBPBESRZSA-N 1 0 367.471 2.526 20 5 FFBDRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000173378217 509561832 /nfs/dbraw/zinc/56/18/32/509561832.db2.gz MRTZMXPHVGWLRX-CHWSQXEVSA-N 1 0 363.439 2.915 20 5 FFBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000176537827 509569291 /nfs/dbraw/zinc/56/92/91/509569291.db2.gz YJTOIXMYEWCVPD-VXGBXAGGSA-N 1 0 370.247 2.960 20 5 FFBDRO C[NH+](C)CC1(CNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CCCC1 ZINC000186192475 509568261 /nfs/dbraw/zinc/56/82/61/509568261.db2.gz DXWKSZFHHZQPAS-UHFFFAOYSA-N 1 0 371.441 2.632 20 5 FFBDRO COc1ccccc1COC[C@H](O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192707291 509606599 /nfs/dbraw/zinc/60/65/99/509606599.db2.gz STGGKVIMXMAJIM-QGZVFWFLSA-N 1 0 360.410 2.613 20 5 FFBDRO C[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000189519000 509617132 /nfs/dbraw/zinc/61/71/32/509617132.db2.gz VRAITJTZGSILLW-GUYCJALGSA-N 1 0 363.439 2.565 20 5 FFBDRO COc1ccc(C[NH2+]C2CCN(Cc3ccccn3)CC2)cc1[N+](=O)[O-] ZINC000237355876 509632083 /nfs/dbraw/zinc/63/20/83/509632083.db2.gz BVYBUPVSRRQJEG-UHFFFAOYSA-N 1 0 356.426 2.753 20 5 FFBDRO CCc1ccc(C(=O)NC2CC[NH+](CCOC(C)C)CC2)cc1[N+](=O)[O-] ZINC000176689181 509642955 /nfs/dbraw/zinc/64/29/55/509642955.db2.gz PJXYKCJXVLHVAV-UHFFFAOYSA-N 1 0 363.458 2.776 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@@]3(O)CCSC3)cs2)c1 ZINC000176753161 509671478 /nfs/dbraw/zinc/67/14/78/509671478.db2.gz NZEPEPHMLFMPSQ-HNNXBMFYSA-N 1 0 351.453 2.676 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)cc1C ZINC000173667909 509709343 /nfs/dbraw/zinc/70/93/43/509709343.db2.gz JQIZYUOBFLULIS-OAHLLOKOSA-N 1 0 369.487 2.707 20 5 FFBDRO CCN(C(=O)c1cc([N+](=O)[O-])ccc1N)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000189723648 509721389 /nfs/dbraw/zinc/72/13/89/509721389.db2.gz YORINFGROGLUSP-QGZVFWFLSA-N 1 0 368.437 2.914 20 5 FFBDRO O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NC[C@@H]1CCCC[NH2+]1 ZINC000237842553 509750218 /nfs/dbraw/zinc/75/02/18/509750218.db2.gz DHELKPHBXHHQIV-LBPRGKRZSA-N 1 0 374.363 2.674 20 5 FFBDRO Cc1c([N+](=O)[O-])cc(C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)cc1[N+](=O)[O-] ZINC000268099100 509755033 /nfs/dbraw/zinc/75/50/33/509755033.db2.gz ASOOFFUYXKDJJT-ZDUSSCGKSA-N 1 0 364.402 2.519 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])cc1F)N(Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000186600115 509794031 /nfs/dbraw/zinc/79/40/31/509794031.db2.gz LFEXTNKWTTZUME-HNNXBMFYSA-N 1 0 372.400 2.913 20 5 FFBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)NC1CC[NH+](C2CC2)CC1 ZINC000268188897 509804615 /nfs/dbraw/zinc/80/46/15/509804615.db2.gz RXXOAZNBEMICHD-UHFFFAOYSA-N 1 0 352.822 2.674 20 5 FFBDRO CC[NH+](CC)[C@@H]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000173843785 509812002 /nfs/dbraw/zinc/81/20/02/509812002.db2.gz UZYSPZQPDZXUST-CYBMUJFWSA-N 1 0 354.838 2.603 20 5 FFBDRO O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CC[NH+](C2CCC2)CC1 ZINC000265039548 509833759 /nfs/dbraw/zinc/83/37/59/509833759.db2.gz YPKKGXZLNSPZJA-UHFFFAOYSA-N 1 0 372.469 2.508 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1SC ZINC000177073637 509854921 /nfs/dbraw/zinc/85/49/21/509854921.db2.gz VURIHQHJSWRKDB-MNOVXSKESA-N 1 0 365.455 2.680 20 5 FFBDRO CC(C)CN(C(=O)CCOc1ccccc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000265134972 509879072 /nfs/dbraw/zinc/87/90/72/509879072.db2.gz SRKLWQPDQUKXOH-UHFFFAOYSA-N 1 0 363.458 2.943 20 5 FFBDRO Cc1cccc([C@@H](C)[NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000173999426 509896911 /nfs/dbraw/zinc/89/69/11/509896911.db2.gz XNKRBDMIQLMXFQ-CQSZACIVSA-N 1 0 363.439 2.532 20 5 FFBDRO Cc1cccc([C@@H](C)[NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000174009546 509901047 /nfs/dbraw/zinc/90/10/47/509901047.db2.gz JLMWXRKIKGYCEU-CQSZACIVSA-N 1 0 363.439 2.532 20 5 FFBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000190061698 509916841 /nfs/dbraw/zinc/91/68/41/509916841.db2.gz REXJLBZOQGRENQ-OAHLLOKOSA-N 1 0 351.447 2.805 20 5 FFBDRO CC(=O)c1cccc(OC[C@H](O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000180420221 509919028 /nfs/dbraw/zinc/91/90/28/509919028.db2.gz HNIWXNDKEYCOGP-FZKQIMNGSA-N 1 0 358.394 2.888 20 5 FFBDRO C[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000180426340 509921363 /nfs/dbraw/zinc/92/13/63/509921363.db2.gz ZFZSMKMEVWGIAI-BLLLJJGKSA-N 1 0 361.354 2.594 20 5 FFBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245443781 509938605 /nfs/dbraw/zinc/93/86/05/509938605.db2.gz JCTXZWIKVPJOAD-CVEARBPZSA-N 1 0 360.458 2.730 20 5 FFBDRO O=C(Nc1cccc(C[NH+]2CCCCC2)c1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000186918045 509949230 /nfs/dbraw/zinc/94/92/30/509949230.db2.gz OHBFJFQMNCRCQA-UHFFFAOYSA-N 1 0 356.382 2.934 20 5 FFBDRO CCC[N@H+](C)C[C@@H]1CCN(c2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000268474556 509954138 /nfs/dbraw/zinc/95/41/38/509954138.db2.gz JDANDBFOPYEHEY-NSHDSACASA-N 1 0 357.252 2.920 20 5 FFBDRO Cc1cc(NC(=O)N2CCN(Cc3cccnc3)CC2)ccc1[N+](=O)[O-] ZINC000193618745 509992515 /nfs/dbraw/zinc/99/25/15/509992515.db2.gz PNUGHZQZDROOSB-UHFFFAOYSA-N 1 0 355.398 2.648 20 5 FFBDRO COc1cc(CN2C[C@@H](C)[C@H]([NH3+])C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000261679635 510024484 /nfs/dbraw/zinc/02/44/84/510024484.db2.gz AFUZUVWIXOYNLP-RDTXWAMCSA-N 1 0 371.437 2.961 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261683726 510026640 /nfs/dbraw/zinc/02/66/40/510026640.db2.gz IOXQQDOCTIDSKO-SJORKVTESA-N 1 0 368.437 2.516 20 5 FFBDRO COC(=O)[C@@H](C)[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000177413735 510045050 /nfs/dbraw/zinc/04/50/50/510045050.db2.gz KGNBAQLHDMYGFY-SCLBCKFNSA-N 1 0 371.393 2.673 20 5 FFBDRO C[C@H]1CCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H](C[NH3+])C1 ZINC000261782946 510062637 /nfs/dbraw/zinc/06/26/37/510062637.db2.gz LGTBDKKINAKVEC-FZMZJTMJSA-N 1 0 360.439 2.918 20 5 FFBDRO CCS[C@@H]1CC[C@H]([N@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000174346947 510071027 /nfs/dbraw/zinc/07/10/27/510071027.db2.gz PAHTYBFDNHQLLF-JLJPHGGASA-N 1 0 354.472 2.941 20 5 FFBDRO Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000180724414 510074588 /nfs/dbraw/zinc/07/45/88/510074588.db2.gz QXNSEPSQROWBMY-ZDUSSCGKSA-N 1 0 374.466 2.881 20 5 FFBDRO [NH3+]C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1c1ccccc1 ZINC000261873444 510097143 /nfs/dbraw/zinc/09/71/43/510097143.db2.gz XRAHISRUSNLJAD-WBVHZDCISA-N 1 0 373.840 2.992 20 5 FFBDRO CCCc1n[nH]c(C(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000174411711 510101901 /nfs/dbraw/zinc/10/19/01/510101901.db2.gz KXXJYULOXDTIDE-AWEZNQCLSA-N 1 0 373.457 2.911 20 5 FFBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)C1 ZINC000174526098 510161354 /nfs/dbraw/zinc/16/13/54/510161354.db2.gz ICNIFBROMZCDNS-ZIAGYGMSSA-N 1 0 351.472 2.876 20 5 FFBDRO Nc1cccc([N+](=O)[O-])c1C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000180893983 510169350 /nfs/dbraw/zinc/16/93/50/510169350.db2.gz FFDLJARZIHRKTM-UHFFFAOYSA-N 1 0 354.410 2.703 20 5 FFBDRO CCO[C@H]1C[C@]([NH3+])(C(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)C1(C)C ZINC000187283923 510170871 /nfs/dbraw/zinc/17/08/71/510170871.db2.gz PFBRCUQWVLSCED-YOEHRIQHSA-N 1 0 369.849 2.739 20 5 FFBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CN(Cc3ccccc3)CC[C@H]2CO)cs1 ZINC000265760802 510215206 /nfs/dbraw/zinc/21/52/06/510215206.db2.gz JUECEDWMOBRPBH-IRXDYDNUSA-N 1 0 361.467 2.629 20 5 FFBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2c2ncc([N+](=O)[O-])cc2Br)C1 ZINC000269091043 510231375 /nfs/dbraw/zinc/23/13/75/510231375.db2.gz LAHYQIPGLPIXIU-ZWNOBZJWSA-N 1 0 355.236 2.673 20 5 FFBDRO C[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)[C@H]1CCC[NH2+]C1 ZINC000269170998 510270317 /nfs/dbraw/zinc/27/03/17/510270317.db2.gz FKXBNHQLKQEXFV-BDAKNGLRSA-N 1 0 374.210 2.614 20 5 FFBDRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000269190389 510282223 /nfs/dbraw/zinc/28/22/23/510282223.db2.gz HOUAKQUWFSYISU-GZMMTYOYSA-N 1 0 374.210 2.744 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@H]2c2cccc(Cl)c2)c1 ZINC000174738453 510283394 /nfs/dbraw/zinc/28/33/94/510283394.db2.gz RYFKKCFKKGWBLO-HOTGVXAUSA-N 1 0 350.806 2.643 20 5 FFBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000246092396 510288023 /nfs/dbraw/zinc/28/80/23/510288023.db2.gz GVPRHDCWBZJQQA-CZUORRHYSA-N 1 0 369.487 2.508 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@H](C)C1 ZINC000174782394 510307393 /nfs/dbraw/zinc/30/73/93/510307393.db2.gz RYRGAODWMDIWLJ-CJNGLKHVSA-N 1 0 359.430 2.807 20 5 FFBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CC[C@H]([NH3+])[C@@H](C)C3)cc2[N+](=O)[O-])C1 ZINC000269259143 510313587 /nfs/dbraw/zinc/31/35/87/510313587.db2.gz IQHBUIWNQZCTRZ-IVSAIRAKSA-N 1 0 374.485 2.886 20 5 FFBDRO C[C@@H](Nc1ccc(C(=O)N[C@H](C[NH3+])C2CC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000262577038 510323038 /nfs/dbraw/zinc/32/30/38/510323038.db2.gz GKRYNVUSORPOSF-SJKOYZFVSA-N 1 0 369.425 2.630 20 5 FFBDRO C[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(N2CCOC2=O)cc1 ZINC000181280546 510336916 /nfs/dbraw/zinc/33/69/16/510336916.db2.gz SDWFVTJGQQDSPW-UGSOOPFHSA-N 1 0 371.393 2.936 20 5 FFBDRO C[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1nc(-c2ccccc2)cs1 ZINC000184516701 510367154 /nfs/dbraw/zinc/36/71/54/510367154.db2.gz GEKQLJGOBBQLON-DOMZBBRYSA-N 1 0 373.438 2.627 20 5 FFBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CC[NH2+][C@@H](C)[C@H]3C)cc2[N+](=O)[O-])C1 ZINC000262743770 510393281 /nfs/dbraw/zinc/39/32/81/510393281.db2.gz FIBCMFOBMCYIRF-XUWVNRHRSA-N 1 0 374.485 2.900 20 5 FFBDRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000175037492 510451540 /nfs/dbraw/zinc/45/15/40/510451540.db2.gz RFDAARZQRIDTCS-DLBZAZTESA-N 1 0 372.469 2.894 20 5 FFBDRO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000171920532 510452628 /nfs/dbraw/zinc/45/26/28/510452628.db2.gz GQMOIIADDAALNZ-AWEZNQCLSA-N 1 0 359.348 2.968 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000194653606 510465887 /nfs/dbraw/zinc/46/58/87/510465887.db2.gz NXVSYCAZYJHFED-GOSISDBHSA-N 1 0 369.421 2.884 20 5 FFBDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000266241815 510478987 /nfs/dbraw/zinc/47/89/87/510478987.db2.gz HGYNXSJUIYXFFZ-OLZOCXBDSA-N 1 0 357.332 2.970 20 5 FFBDRO C[C@H](CN1CCCC1=O)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000172114493 510550709 /nfs/dbraw/zinc/55/07/09/510550709.db2.gz RKKCEZXOVVSGKD-GFCCVEGCSA-N 1 0 360.439 2.819 20 5 FFBDRO CCOC(=O)c1ccnc(N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000246653359 510602779 /nfs/dbraw/zinc/60/27/79/510602779.db2.gz JKNIMFFTAQNWCI-CHWSQXEVSA-N 1 0 350.419 2.699 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H](Cc2ccccc2)c2cccs2)c1 ZINC000184968559 510610214 /nfs/dbraw/zinc/61/02/14/510610214.db2.gz JQHUGUHQUDWFLH-IRXDYDNUSA-N 1 0 372.450 2.787 20 5 FFBDRO CCC1(CC)[C@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1OC ZINC000191390444 510636052 /nfs/dbraw/zinc/63/60/52/510636052.db2.gz KEWAEKITWLLLOK-IAOVAPTHSA-N 1 0 352.431 2.518 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@H]2CCC2CCCCC2)c1 ZINC000246732936 510641359 /nfs/dbraw/zinc/64/13/59/510641359.db2.gz GHNBWRONIIIFGP-FUHWJXTLSA-N 1 0 350.463 2.977 20 5 FFBDRO Cc1[nH]nc(C(=O)N2CCC[C@@H]2Cn2c(C)nc3ccccc32)c1[N+](=O)[O-] ZINC000270024862 510642340 /nfs/dbraw/zinc/64/23/40/510642340.db2.gz AHIWMTFDBZPYSQ-CYBMUJFWSA-N 1 0 368.397 2.589 20 5 FFBDRO COc1ccc(OCCN(C)C2CC[NH+](C(C)C)CC2)c([N+](=O)[O-])c1 ZINC000266534653 510643132 /nfs/dbraw/zinc/64/31/32/510643132.db2.gz NRRBBEQUCAQNEJ-UHFFFAOYSA-N 1 0 351.447 2.787 20 5 FFBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])c(C)s2)[C@@H](C)C1 ZINC000246787356 510674804 /nfs/dbraw/zinc/67/48/04/510674804.db2.gz MJGLHZHQYKHUHG-JSGCOSHPSA-N 1 0 369.487 2.832 20 5 FFBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CC[C@H](C[NH3+])C2)cc1 ZINC000178588143 510676232 /nfs/dbraw/zinc/67/62/32/510676232.db2.gz CJLXTYXLVWKLFC-CYBMUJFWSA-N 1 0 371.393 2.817 20 5 FFBDRO O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000172423313 510720129 /nfs/dbraw/zinc/72/01/29/510720129.db2.gz PXOLSUTVVJWPQJ-UHFFFAOYSA-N 1 0 362.386 2.594 20 5 FFBDRO COc1ccc(CNC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000266685895 510729109 /nfs/dbraw/zinc/72/91/09/510729109.db2.gz DLKYZUXPJGSSHN-HNNXBMFYSA-N 1 0 364.446 2.619 20 5 FFBDRO COc1ccc([C@@H](C)[NH2+]CCn2ccc([N+](=O)[O-])n2)cc1Br ZINC000182060748 510735148 /nfs/dbraw/zinc/73/51/48/510735148.db2.gz ZBYRKYGKXVDAAN-SNVBAGLBSA-N 1 0 369.219 2.913 20 5 FFBDRO O=C(C[C@H]1CN(Cc2ccccc2)CCO1)NCc1cccc([N+](=O)[O-])c1 ZINC000175749381 510769834 /nfs/dbraw/zinc/76/98/34/510769834.db2.gz SLALJMKNPADOAE-IBGZPJMESA-N 1 0 369.421 2.502 20 5 FFBDRO Cc1ccccc1OCC[N@@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182190858 510805233 /nfs/dbraw/zinc/80/52/33/510805233.db2.gz XSQHAFXZJKPYRE-MRXNPFEDSA-N 1 0 360.410 2.654 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000182193825 510807395 /nfs/dbraw/zinc/80/73/95/510807395.db2.gz LDQAQDAADJNGLO-GOSISDBHSA-N 1 0 370.405 2.829 20 5 FFBDRO CC([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)(c1ccccc1)c1ccccc1 ZINC000182215759 510816867 /nfs/dbraw/zinc/81/68/67/510816867.db2.gz KRCXOMTWUXDGAQ-IBGZPJMESA-N 1 0 366.421 2.706 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000191767010 510820323 /nfs/dbraw/zinc/82/03/23/510820323.db2.gz YJHGHUZSIIGEMA-SFHVURJKSA-N 1 0 357.385 2.933 20 5 FFBDRO C[C@@H]1C[NH+](CC2CCN(C(=O)c3csc([N+](=O)[O-])c3)CC2)C[C@@H](C)O1 ZINC000263839676 510852141 /nfs/dbraw/zinc/85/21/41/510852141.db2.gz VRIYENHCXLYMJP-CHWSQXEVSA-N 1 0 367.471 2.618 20 5 FFBDRO COc1cc(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000247220590 510853027 /nfs/dbraw/zinc/85/30/27/510853027.db2.gz MHGPJHSWEVKVNP-AAEUAGOBSA-N 1 0 371.384 2.873 20 5 FFBDRO Cn1nccc1[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000360306198 510894483 /nfs/dbraw/zinc/89/44/83/510894483.db2.gz SWLRGOVHKKUYKE-AWEZNQCLSA-N 1 0 357.414 2.537 20 5 FFBDRO COCCN1CC[C@@H](NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 ZINC000277684189 510969600 /nfs/dbraw/zinc/96/96/00/510969600.db2.gz IXBLRBUQGGRYQJ-CQSZACIVSA-N 1 0 365.433 2.544 20 5 FFBDRO CN(CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285608394 510976656 /nfs/dbraw/zinc/97/66/56/510976656.db2.gz VQDKBRFGTFTBGI-PBWFPOADSA-N 1 0 366.849 2.744 20 5 FFBDRO CC1(C)CN(Cc2ccccc2)CC[C@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000282457607 510986047 /nfs/dbraw/zinc/98/60/47/510986047.db2.gz JJKOKQILDROOIW-GOSISDBHSA-N 1 0 357.458 2.682 20 5 FFBDRO Cc1noc([C@H]2CCCN2CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)n1 ZINC000285651503 510995280 /nfs/dbraw/zinc/99/52/80/510995280.db2.gz MIQCLRLJRGLHOC-CQSZACIVSA-N 1 0 363.349 2.591 20 5 FFBDRO C[NH+]1CCC([C@@H]2CCN(c3c(Br)cncc3[N+](=O)[O-])C2)CC1 ZINC000270888213 511016708 /nfs/dbraw/zinc/01/67/08/511016708.db2.gz FWJFLNQBUGPHSI-GFCCVEGCSA-N 1 0 369.263 2.920 20 5 FFBDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000286348313 511023077 /nfs/dbraw/zinc/02/30/77/511023077.db2.gz FJUJMJBFHZJIAG-SAYFZHNOSA-N 1 0 356.382 2.500 20 5 FFBDRO Cc1ccc([C@H](C)NC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@H]3C2(C)C)cc1[N+](=O)[O-] ZINC000364725451 511045263 /nfs/dbraw/zinc/04/52/63/511045263.db2.gz SWGFTLUDSGYZLV-WRUATKAJSA-N 1 0 361.442 2.613 20 5 FFBDRO COc1cc(C[NH2+][C@H]2CCO[C@H]2C2CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000364766561 511070677 /nfs/dbraw/zinc/07/06/77/511070677.db2.gz BHLBGZOIOTWWHW-NHYWBVRUSA-N 1 0 358.341 2.862 20 5 FFBDRO COc1cc(C[NH2+][C@H]2CCO[C@@H]2C2CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000364766562 511071055 /nfs/dbraw/zinc/07/10/55/511071055.db2.gz BHLBGZOIOTWWHW-XHDPSFHLSA-N 1 0 358.341 2.862 20 5 FFBDRO C[C@H]([NH2+]CC1(N2CCCCC2)CCOCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294611029 511119690 /nfs/dbraw/zinc/11/96/90/511119690.db2.gz DSGHYJMNLHSDKN-HNNXBMFYSA-N 1 0 362.474 2.863 20 5 FFBDRO COc1cc(C(=O)NC[C@H](C)C[NH+]2CCCCC2)c([N+](=O)[O-])cc1F ZINC000294627155 511125524 /nfs/dbraw/zinc/12/55/24/511125524.db2.gz YKMQJNUGZTXLGD-LBPRGKRZSA-N 1 0 353.394 2.594 20 5 FFBDRO COCCCN(C(=O)c1cccc(Cl)c1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000291392752 511180064 /nfs/dbraw/zinc/18/00/64/511180064.db2.gz GRRTZLZDRCGTQK-UHFFFAOYSA-N 1 0 369.849 2.821 20 5 FFBDRO CCOC(=O)[C@H](C)[C@H](C)[NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000283019867 511202125 /nfs/dbraw/zinc/20/21/25/511202125.db2.gz GVDOIGVCKIWQFR-OUAUKWLOSA-N 1 0 371.821 2.753 20 5 FFBDRO CS(=O)(=O)C1(C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CCC1 ZINC000279767326 511208089 /nfs/dbraw/zinc/20/80/89/511208089.db2.gz JWXBAEMNUVLJDU-HOCLYGCPSA-N 1 0 366.483 2.863 20 5 FFBDRO C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CCN2CCO[C@H]1C2 ZINC000295081154 511274773 /nfs/dbraw/zinc/27/47/73/511274773.db2.gz IFTSOZQSFIEDBR-MJGOQNOKSA-N 1 0 357.410 2.760 20 5 FFBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000295086471 511277407 /nfs/dbraw/zinc/27/74/07/511277407.db2.gz WEHRWERVOHPAFS-HNNXBMFYSA-N 1 0 361.442 2.748 20 5 FFBDRO Cn1cc([C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])c(F)c3)CC23CCOCC3)cn1 ZINC000295108539 511284805 /nfs/dbraw/zinc/28/48/05/511284805.db2.gz IEDSCLMWRWKCJN-MRXNPFEDSA-N 1 0 374.416 2.864 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](CCO)c1ccccc1 ZINC000271765767 511316120 /nfs/dbraw/zinc/31/61/20/511316120.db2.gz NCFXGXYGRKIVBN-SFHVURJKSA-N 1 0 357.410 2.945 20 5 FFBDRO C[NH+](C)[C@H]1CCCN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CC1 ZINC000365233243 511331288 /nfs/dbraw/zinc/33/12/88/511331288.db2.gz UHEVWXLQKBULFQ-HNNXBMFYSA-N 1 0 360.458 2.751 20 5 FFBDRO Cc1nc2ccccc2n1C1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000280217717 511379095 /nfs/dbraw/zinc/37/90/95/511379095.db2.gz KWINVMRDORFOAL-UHFFFAOYSA-N 1 0 354.414 2.787 20 5 FFBDRO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@@](C)(OC)CC2)c([N+](=O)[O-])c1 ZINC000280355270 511434013 /nfs/dbraw/zinc/43/40/13/511434013.db2.gz JJSVBVYEDBWTGN-GOSISDBHSA-N 1 0 365.430 2.823 20 5 FFBDRO CCn1nc(C)c([N+](=O)[O-])c1N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000280403031 511453767 /nfs/dbraw/zinc/45/37/67/511453767.db2.gz INOIAEBSYWMZHB-CALCHBBNSA-N 1 0 355.442 2.688 20 5 FFBDRO CC(C)[N@H+](CCOCCO)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000283680738 511459371 /nfs/dbraw/zinc/45/93/71/511459371.db2.gz HIUJSFLJDBDCNL-UHFFFAOYSA-N 1 0 361.236 2.577 20 5 FFBDRO C[C@H]1CN(c2ccc([N+](=O)[O-])cc2N2CCOC2=O)CC[N@@H+](C2CCC2)C1 ZINC000292173569 511493197 /nfs/dbraw/zinc/49/31/97/511493197.db2.gz DXBCGQDBIFSGNG-CQSZACIVSA-N 1 0 374.441 2.862 20 5 FFBDRO COc1ccc(OCC[N@H+](C)[C@H](CC(N)=O)c2ccccc2)c([N+](=O)[O-])c1 ZINC000280510801 511493576 /nfs/dbraw/zinc/49/35/76/511493576.db2.gz NNDWQAODCNDJLB-MRXNPFEDSA-N 1 0 373.409 2.531 20 5 FFBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000280558366 511510896 /nfs/dbraw/zinc/51/08/96/511510896.db2.gz UTOULCANDSLATP-ABAIWWIYSA-N 1 0 369.824 2.873 20 5 FFBDRO C[C@]1(CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)CCC[NH2+]C1 ZINC000272968316 511513503 /nfs/dbraw/zinc/51/35/03/511513503.db2.gz BDPVTOGUFQUUPP-QFIPXVFZSA-N 1 0 363.461 2.661 20 5 FFBDRO Cn1ccnc1[C@@H]1N(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1(C)C ZINC000295857682 511537070 /nfs/dbraw/zinc/53/70/70/511537070.db2.gz KLPQJPFQOPDTKW-KRWDZBQOSA-N 1 0 367.409 2.893 20 5 FFBDRO CC[C@@H](O)[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000299222119 511556265 /nfs/dbraw/zinc/55/62/65/511556265.db2.gz IOJFTQSEYZHURT-NVXWUHKLSA-N 1 0 365.430 2.557 20 5 FFBDRO Cc1cc(N2CCC(CS(C)(=O)=O)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000292367498 511569709 /nfs/dbraw/zinc/56/97/09/511569709.db2.gz RSBXMNCWJCQXSP-UHFFFAOYSA-N 1 0 363.439 2.712 20 5 FFBDRO CCCC[N@H+](C)CC1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 ZINC000284076756 511597479 /nfs/dbraw/zinc/59/74/79/511597479.db2.gz RXCPKTZTEQNVAP-UHFFFAOYSA-N 1 0 366.437 2.900 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)Cn1cnc2c1C[C@H](C)[C@@H](C)C2 ZINC000296049961 511602764 /nfs/dbraw/zinc/60/27/64/511602764.db2.gz UBMOCWSCONHSMU-RYUDHWBXSA-N 1 0 358.398 2.809 20 5 FFBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NCCCCC[NH+]1CCCCC1 ZINC000284118568 511611796 /nfs/dbraw/zinc/61/17/96/511611796.db2.gz UUNZAXGCTHSZAF-UHFFFAOYSA-N 1 0 352.410 2.702 20 5 FFBDRO CCC[C@@H]([NH2+]C[C@@H]1CCn2ncc(C(N)=O)c2C1)c1cccc([N+](=O)[O-])c1 ZINC000280869531 511635698 /nfs/dbraw/zinc/63/56/98/511635698.db2.gz CUYFCONTZRRWJY-CXAGYDPISA-N 1 0 371.441 2.584 20 5 FFBDRO C[C@@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365888375 511711066 /nfs/dbraw/zinc/71/10/66/511711066.db2.gz WYPQNXQJYVNCLC-ZNMIVQPWSA-N 1 0 363.462 2.606 20 5 FFBDRO Cn1ccnc1[C@@H]1N(C(=O)NCCc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000296461200 511753393 /nfs/dbraw/zinc/75/33/93/511753393.db2.gz KZHNXJLVBSGCGS-HNNXBMFYSA-N 1 0 357.414 2.664 20 5 FFBDRO O=[N+]([O-])c1cc2c(ncnc2N2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000310988485 511775077 /nfs/dbraw/zinc/77/50/77/511775077.db2.gz ZGTAEZDYRJEKCF-UHFFFAOYSA-N 1 0 355.423 2.922 20 5 FFBDRO COc1cc(-c2nc([C@H]3C[N@@H+]4CCC[C@@]4(C)CO3)no2)ccc1[N+](=O)[O-] ZINC000350340286 511783461 /nfs/dbraw/zinc/78/34/61/511783461.db2.gz NTDZWVMAGYVCNX-PBHICJAKSA-N 1 0 360.370 2.579 20 5 FFBDRO Cc1c(NC(=O)CC[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)cccc1[N+](=O)[O-] ZINC000293076026 511830457 /nfs/dbraw/zinc/83/04/57/511830457.db2.gz VWUXABDMORVWTR-LJQANCHMSA-N 1 0 360.458 2.650 20 5 FFBDRO COCCc1ccc(OC[C@@H](O)C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000296677996 511848946 /nfs/dbraw/zinc/84/89/46/511848946.db2.gz HSYJGIJMCQICNS-KXBFYZLASA-N 1 0 374.437 2.874 20 5 FFBDRO C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cn2)CC[N@@H+]1Cc1ccccc1 ZINC000366199332 511896665 /nfs/dbraw/zinc/89/66/65/511896665.db2.gz GKZBWHACVKFNKU-GOEBONIOSA-N 1 0 354.410 2.773 20 5 FFBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293353962 511934672 /nfs/dbraw/zinc/93/46/72/511934672.db2.gz KXMZRIYPIUGQTA-LKFCYVNXSA-N 1 0 357.332 2.826 20 5 FFBDRO COc1ccc(C[NH2+]Cc2ccc3c(c2)CCC(=O)N3C)cc1[N+](=O)[O-] ZINC000274830451 511955707 /nfs/dbraw/zinc/95/57/07/511955707.db2.gz UDTGZGOETCNUMH-UHFFFAOYSA-N 1 0 355.394 2.802 20 5 FFBDRO Cc1noc(C)c1C[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000274836977 511958835 /nfs/dbraw/zinc/95/88/35/511958835.db2.gz NNLINJUMABTZQM-UHFFFAOYSA-N 1 0 370.413 2.788 20 5 FFBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)c3cc([N+](=O)[O-])ccc3N3CCCCC3)C2)C1 ZINC000293648796 512038302 /nfs/dbraw/zinc/03/83/02/512038302.db2.gz GTIAXIAGGCELGB-FQEVSTJZSA-N 1 0 372.469 2.753 20 5 FFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000293697112 512055240 /nfs/dbraw/zinc/05/52/40/512055240.db2.gz MYQQGYANNGFEEG-AWEZNQCLSA-N 1 0 361.442 2.940 20 5 FFBDRO CCOc1cc(NC(=O)N2CCC[N@H+](C)CC2)c([N+](=O)[O-])cc1OCC ZINC000371600866 512487686 /nfs/dbraw/zinc/48/76/86/512487686.db2.gz DLCKAGOLTDNGQS-UHFFFAOYSA-N 1 0 366.418 2.562 20 5 FFBDRO C[C@H]([NH2+][C@@H]1CCO[C@H]1C1CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000373811847 512518304 /nfs/dbraw/zinc/51/83/04/512518304.db2.gz GGXKNUOBTARGRJ-AMFBXLIHSA-N 1 0 353.806 2.732 20 5 FFBDRO O=C(CCN1CCC[C@H]1C[NH+]1CCCCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411214224 512523727 /nfs/dbraw/zinc/52/37/27/512523727.db2.gz DYXGQJISWUTUEE-SFHVURJKSA-N 1 0 360.458 2.874 20 5 FFBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000375868797 512545825 /nfs/dbraw/zinc/54/58/25/512545825.db2.gz GXWOVWQCZMCERP-GDBMZVCRSA-N 1 0 354.410 2.881 20 5 FFBDRO NC(=O)c1ccc(C[NH+]2CCC3(CC2)OCc2ccccc23)c([N+](=O)[O-])c1 ZINC000378131102 512605906 /nfs/dbraw/zinc/60/59/06/512605906.db2.gz GCDBKFNMWFHURU-UHFFFAOYSA-N 1 0 367.405 2.715 20 5 FFBDRO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])cn1 ZINC000372012029 512678332 /nfs/dbraw/zinc/67/83/32/512678332.db2.gz GOBQXIOBQQLCGO-UHFFFAOYSA-N 1 0 354.410 2.632 20 5 FFBDRO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000372013913 512678845 /nfs/dbraw/zinc/67/88/45/512678845.db2.gz ROPQQEGSHFURNJ-HNNXBMFYSA-N 1 0 354.410 2.726 20 5 FFBDRO Cc1c([C@@H](C)[NH2+][C@@H]2CCN(c3ccccc3C(N)=O)C2)cccc1[N+](=O)[O-] ZINC000376193883 512703292 /nfs/dbraw/zinc/70/32/92/512703292.db2.gz GMGZWZRCGCRMGK-HUUCEWRRSA-N 1 0 368.437 2.932 20 5 FFBDRO CCN(C(=O)c1nn(C)cc1[N+](=O)[O-])[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000378406442 512742791 /nfs/dbraw/zinc/74/27/91/512742791.db2.gz UONIMWCDACWSTO-GDBMZVCRSA-N 1 0 371.441 2.626 20 5 FFBDRO C[N@@H+]1C[C@@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)[C@@H](c2ccccc2)C1 ZINC000374301616 512753537 /nfs/dbraw/zinc/75/35/37/512753537.db2.gz KKVJQGDKDAHADR-RTBURBONSA-N 1 0 353.422 2.741 20 5 FFBDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000370162096 512796902 /nfs/dbraw/zinc/79/69/02/512796902.db2.gz NLUHUNMLIITXJN-HNNXBMFYSA-N 1 0 354.410 2.524 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1CCc2ccccc2OC1 ZINC000374540056 512880217 /nfs/dbraw/zinc/88/02/17/512880217.db2.gz VWISZQJZZDXRCW-CQSZACIVSA-N 1 0 371.393 2.525 20 5 FFBDRO O=C(NC1CC([NH+]2CCCCC2)C1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000376596882 512891760 /nfs/dbraw/zinc/89/17/60/512891760.db2.gz XLDFJPAHMPOISW-UHFFFAOYSA-N 1 0 369.425 2.527 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](C)[C@@](C)(OC)C1CC1 ZINC000411969378 512895078 /nfs/dbraw/zinc/89/50/78/512895078.db2.gz LJJHYKNCMMKECM-KPZWWZAWSA-N 1 0 365.430 2.725 20 5 FFBDRO CO[C@](C)([C@@H](C)[NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)C1CC1 ZINC000411973503 512897868 /nfs/dbraw/zinc/89/78/68/512897868.db2.gz RUMVCPXZCSBFFT-KZULUSFZSA-N 1 0 363.414 2.686 20 5 FFBDRO O=C(N[C@H]1CC12CC[NH2+]CC2)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000368386583 512924256 /nfs/dbraw/zinc/92/42/56/512924256.db2.gz YNRNOJGCSURSCT-AWEZNQCLSA-N 1 0 358.423 2.590 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC([C@@H]2CCOC2)CC1 ZINC000374628833 512926110 /nfs/dbraw/zinc/92/61/10/512926110.db2.gz ZYIUWASUJNIBRK-MRXNPFEDSA-N 1 0 361.442 2.980 20 5 FFBDRO CC(C)(C)OC(=O)CC[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000412060134 512937610 /nfs/dbraw/zinc/93/76/10/512937610.db2.gz DZBYMHPXGHJUJK-CQSZACIVSA-N 1 0 352.435 2.625 20 5 FFBDRO C[NH+](C)C[C@H]1CN(C(=O)c2cc(F)ccc2[N+](=O)[O-])c2ccccc2O1 ZINC000370503323 512967250 /nfs/dbraw/zinc/96/72/50/512967250.db2.gz RHBGCOKUQORQFF-ZDUSSCGKSA-N 1 0 359.357 2.703 20 5 FFBDRO C[NH+]1CCC([C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000412210099 512998447 /nfs/dbraw/zinc/99/84/47/512998447.db2.gz DHDHIJNISPULBA-YTQUADARSA-N 1 0 357.454 2.889 20 5 FFBDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000370582885 513003281 /nfs/dbraw/zinc/00/32/81/513003281.db2.gz LAIPKZQVADUZIC-QGZVFWFLSA-N 1 0 368.437 2.974 20 5 FFBDRO COC[C@@H]1CCCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000372903375 513096964 /nfs/dbraw/zinc/09/69/64/513096964.db2.gz ZGDIYJKRAAVNRP-CYBMUJFWSA-N 1 0 353.394 2.811 20 5 FFBDRO O=C(Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000428553613 513128255 /nfs/dbraw/zinc/12/82/55/513128255.db2.gz XOPGYSPXHMSWAM-QGZVFWFLSA-N 1 0 359.357 2.553 20 5 FFBDRO CC(C)(O)C[NH+]1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CC1 ZINC000450304316 513133603 /nfs/dbraw/zinc/13/36/03/513133603.db2.gz LMYFKTYOIMWLFN-UHFFFAOYSA-N 1 0 362.455 2.611 20 5 FFBDRO Cc1nn(C)c(NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000428669514 513159024 /nfs/dbraw/zinc/15/90/24/513159024.db2.gz WDYGHKQJBZWORM-OAHLLOKOSA-N 1 0 361.471 2.666 20 5 FFBDRO Cc1ccc(NCCCNC(=O)NCCC[C@@H]2CCC[NH2+]2)c([N+](=O)[O-])c1 ZINC000417713145 513176723 /nfs/dbraw/zinc/17/67/23/513176723.db2.gz GUJCPMYTQBARRY-HNNXBMFYSA-N 1 0 363.462 2.537 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000439930082 513212754 /nfs/dbraw/zinc/21/27/54/513212754.db2.gz LPRHFXKOVWMZBQ-OAHLLOKOSA-N 1 0 350.419 2.797 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000428899824 513218862 /nfs/dbraw/zinc/21/88/62/513218862.db2.gz GKVJERFWOWAPQG-WDEREUQCSA-N 1 0 355.822 2.601 20 5 FFBDRO C[C@@H](NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]C1 ZINC000428978836 513237759 /nfs/dbraw/zinc/23/77/59/513237759.db2.gz PVXTUCYJAGAMTC-NVXWUHKLSA-N 1 0 374.485 2.949 20 5 FFBDRO CCC(CC)[C@@H](CNS(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])[NH+](C)C ZINC000440077607 513241351 /nfs/dbraw/zinc/24/13/51/513241351.db2.gz KEOZMYOBFNBHJD-OAHLLOKOSA-N 1 0 357.476 2.548 20 5 FFBDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@H](C)C1 ZINC000428992588 513242800 /nfs/dbraw/zinc/24/28/00/513242800.db2.gz BHAUZZYUBWEZOP-KEYYUXOJSA-N 1 0 371.441 2.807 20 5 FFBDRO CC(C)[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C[C@@H](O)CO ZINC000421410934 513253134 /nfs/dbraw/zinc/25/31/34/513253134.db2.gz PVXUERLSTPGZDF-OAHLLOKOSA-N 1 0 350.440 2.887 20 5 FFBDRO C[C@H](CCNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000450569626 513254983 /nfs/dbraw/zinc/25/49/83/513254983.db2.gz VHIYDGNSXJEGRR-OAHLLOKOSA-N 1 0 361.442 2.938 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000421515070 513292430 /nfs/dbraw/zinc/29/24/30/513292430.db2.gz AGJAHRDFGBIHRD-UWWQBHOKSA-N 1 0 361.442 2.535 20 5 FFBDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000417988444 513320141 /nfs/dbraw/zinc/32/01/41/513320141.db2.gz KCROJKWLJFWQHC-AAEUAGOBSA-N 1 0 354.838 2.560 20 5 FFBDRO C[C@@H]1CCN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000418002625 513329385 /nfs/dbraw/zinc/32/93/85/513329385.db2.gz YYXZFUOOPXMMTC-BXUZGUMPSA-N 1 0 354.838 2.560 20 5 FFBDRO O=[N+]([O-])c1ccc(OCCC[NH2+][C@@]2(CO)CCOc3ccccc32)cc1 ZINC000440490587 513332861 /nfs/dbraw/zinc/33/28/61/513332861.db2.gz UZJGDCRUUICDQB-LJQANCHMSA-N 1 0 358.394 2.624 20 5 FFBDRO C[N@@H+]1CC[C@@H]2CN(c3ccc(C(=O)c4ccccc4)cc3[N+](=O)[O-])C[C@@H]21 ZINC000450795724 513344620 /nfs/dbraw/zinc/34/46/20/513344620.db2.gz REUTXJAFJLOLNH-APWZRJJASA-N 1 0 351.406 2.966 20 5 FFBDRO C[NH2+]C1CCN(C(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)CC1 ZINC000429375392 513357025 /nfs/dbraw/zinc/35/70/25/513357025.db2.gz YVLJLXPLVLLNQB-AWEZNQCLSA-N 1 0 360.458 2.655 20 5 FFBDRO O=C(c1ccccc1[N+](=O)[O-])N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425000634 513360408 /nfs/dbraw/zinc/36/04/08/513360408.db2.gz ISVYHONWRMNOTD-QFBILLFUSA-N 1 0 351.406 2.941 20 5 FFBDRO Cc1c(NC(=O)N[C@H]2C[NH2+]CC[C@@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC000415648349 513361049 /nfs/dbraw/zinc/36/10/49/513361049.db2.gz BOPZOPRTAMEBHS-UFBFGSQYSA-N 1 0 371.235 2.785 20 5 FFBDRO Cc1c(NC(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC000415647248 513361670 /nfs/dbraw/zinc/36/16/70/513361670.db2.gz AKDNFIPNOJTKQS-RKDXNWHRSA-N 1 0 371.235 2.880 20 5 FFBDRO Cc1c(CNC(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)cccc1[N+](=O)[O-] ZINC000418084525 513366518 /nfs/dbraw/zinc/36/65/18/513366518.db2.gz VMRPDIWRDARQGH-KRWDZBQOSA-N 1 0 360.458 2.823 20 5 FFBDRO [NH3+][C@H]1CCC[C@H](CNC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000418087747 513367784 /nfs/dbraw/zinc/36/77/84/513367784.db2.gz IASNUWMUBKWOAQ-GWCFXTLKSA-N 1 0 374.363 2.930 20 5 FFBDRO [NH3+]CC[C@H]1CCCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000415699563 513387239 /nfs/dbraw/zinc/38/72/39/513387239.db2.gz JKTGZDXHBKKHCJ-SNVBAGLBSA-N 1 0 371.235 2.950 20 5 FFBDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000429516434 513395864 /nfs/dbraw/zinc/39/58/64/513395864.db2.gz OZZYJHFXCSTGEX-ZBFHGGJFSA-N 1 0 360.458 2.655 20 5 FFBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000415966198 513505213 /nfs/dbraw/zinc/50/52/13/513505213.db2.gz VWQRHVKLRFCMCC-OAHLLOKOSA-N 1 0 369.425 2.512 20 5 FFBDRO CCc1nn(C)c(CC)c1C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447587707 513515825 /nfs/dbraw/zinc/51/58/25/513515825.db2.gz RXXWRDAUWAQTDH-NVXWUHKLSA-N 1 0 360.462 2.923 20 5 FFBDRO CSC1(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCOCC1 ZINC000447588812 513516255 /nfs/dbraw/zinc/51/62/55/513516255.db2.gz VOFAWRTVLJXXQY-UONOGXRCSA-N 1 0 354.476 2.777 20 5 FFBDRO CCCN(Cc1c(F)cccc1Cl)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000441279918 513528617 /nfs/dbraw/zinc/52/86/17/513528617.db2.gz PUMGUPKBNXFAMK-CYBMUJFWSA-N 1 0 370.812 2.857 20 5 FFBDRO [NH3+]CC[C@@H](NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)C(F)(F)F ZINC000416002697 513531923 /nfs/dbraw/zinc/53/19/23/513531923.db2.gz FQLFYYSLYRRHTN-CYBMUJFWSA-N 1 0 360.336 2.549 20 5 FFBDRO C[C@H]([NH3+])c1ccc(CNC(=O)N(C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000418497278 513533305 /nfs/dbraw/zinc/53/33/05/513533305.db2.gz VYVKTQALXBBDIF-AWEZNQCLSA-N 1 0 356.426 2.999 20 5 FFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](C2CCOCC2)C2(CO)CCC2)c(F)c1 ZINC000425371053 513534157 /nfs/dbraw/zinc/53/41/57/513534157.db2.gz KIKDTHNFMLIFDQ-KRWDZBQOSA-N 1 0 352.406 2.781 20 5 FFBDRO O=[N+]([O-])c1ccc2[nH]c(N3CC[NH+](CCc4cccs4)CC3)nc2c1 ZINC000447672835 513537993 /nfs/dbraw/zinc/53/79/93/513537993.db2.gz VZPNQMNGAJXIPY-UHFFFAOYSA-N 1 0 357.439 2.897 20 5 FFBDRO C[C@@H]1C[N@H+](CCCNc2ncc([N+](=O)[O-])cc2C(F)(F)F)CCCO1 ZINC000413262294 513555534 /nfs/dbraw/zinc/55/55/34/513555534.db2.gz JRKYXCNKVMAIQA-LLVKDONJSA-N 1 0 362.352 2.921 20 5 FFBDRO COc1ccc(-c2ccc(C[NH2+]CC3([S@](C)=O)CC3)o2)c([N+](=O)[O-])c1 ZINC000441386222 513558584 /nfs/dbraw/zinc/55/85/84/513558584.db2.gz WLNAKHNALZMCLG-VWLOTQADSA-N 1 0 364.423 2.864 20 5 FFBDRO CCCC[N@H+](C)CCNc1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000447815206 513579539 /nfs/dbraw/zinc/57/95/39/513579539.db2.gz DVNHHBUIGJNLLZ-UHFFFAOYSA-N 1 0 350.463 2.571 20 5 FFBDRO Cn1ccnc1CN(Cc1csc([N+](=O)[O-])c1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435430977 513583393 /nfs/dbraw/zinc/58/33/93/513583393.db2.gz GIXBPUYJEITJOC-CQSZACIVSA-N 1 0 361.471 2.534 20 5 FFBDRO CCC[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2OC)CC[N@@H+]1CCOC ZINC000430202445 513586921 /nfs/dbraw/zinc/58/69/21/513586921.db2.gz CTDNGRFRDJNTRA-QGZVFWFLSA-N 1 0 351.447 2.536 20 5 FFBDRO CC(C)(NC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000418683724 513610659 /nfs/dbraw/zinc/61/06/59/513610659.db2.gz KHGNRWJLBGYDKU-DOTOQJQBSA-N 1 0 368.437 2.885 20 5 FFBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000418681953 513611718 /nfs/dbraw/zinc/61/17/18/513611718.db2.gz HMSRBDOPUPEMFH-RBUKOAKNSA-N 1 0 368.437 2.534 20 5 FFBDRO Cc1ncsc1CN(C[C@H]1CC[NH2+]C1)C(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000435595081 513628461 /nfs/dbraw/zinc/62/84/61/513628461.db2.gz SYQPGLCCWQXKJW-AWEZNQCLSA-N 1 0 374.466 2.920 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)cc1 ZINC000435629701 513643717 /nfs/dbraw/zinc/64/37/17/513643717.db2.gz USVMVVUQPHTKMQ-INIZCTEOSA-N 1 0 367.471 2.670 20 5 FFBDRO O=C(N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000418779179 513653058 /nfs/dbraw/zinc/65/30/58/513653058.db2.gz AZGGBMKKBHMKMG-HRCADAONSA-N 1 0 358.442 2.657 20 5 FFBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000451340597 513686366 /nfs/dbraw/zinc/68/63/66/513686366.db2.gz JVXPUFXOVAKAGL-SZXPJGKVSA-N 1 0 361.442 2.937 20 5 FFBDRO CNC(=O)c1ccc(N2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000413539042 513705009 /nfs/dbraw/zinc/70/50/09/513705009.db2.gz YLEHCBDCAKPNQA-OAHLLOKOSA-N 1 0 368.437 2.665 20 5 FFBDRO COc1ccc(OCC[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)c([N+](=O)[O-])c1 ZINC000451477165 513773071 /nfs/dbraw/zinc/77/30/71/513773071.db2.gz HITQEOZKFKVZDP-XKQJLSEDSA-N 1 0 350.415 2.775 20 5 FFBDRO CC1(C)[C@H](OCc2ccccc2)C[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000451489390 513784721 /nfs/dbraw/zinc/78/47/21/513784721.db2.gz DZPNMHQSIZJCOU-ZWKOTPCHSA-N 1 0 371.437 2.730 20 5 FFBDRO O=C1CCN1c1cccc(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000442827175 513788213 /nfs/dbraw/zinc/78/82/13/513788213.db2.gz YRIUANKKLYPLFN-DLBZAZTESA-N 1 0 369.425 2.802 20 5 FFBDRO O=C1CCN1c1cccc(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000442827184 513788361 /nfs/dbraw/zinc/78/83/61/513788361.db2.gz YRIUANKKLYPLFN-SJORKVTESA-N 1 0 369.425 2.802 20 5 FFBDRO COc1ccc(NC(=O)[C@@H](C)N2CC[NH2+]Cc3ccccc32)c([N+](=O)[O-])c1 ZINC000430960900 513793055 /nfs/dbraw/zinc/79/30/55/513793055.db2.gz AMHWHQSEFCDVBY-CYBMUJFWSA-N 1 0 370.409 2.540 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1C[C@](C)(OC)C1(C)C ZINC000451502353 513793480 /nfs/dbraw/zinc/79/34/80/513793480.db2.gz ZQZJBBHONYOWDV-QAPCUYQASA-N 1 0 365.430 2.725 20 5 FFBDRO CC[C@@]1(O)CC[N@H+](Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C1 ZINC000425913690 513797108 /nfs/dbraw/zinc/79/71/08/513797108.db2.gz HCNLGULAFQXMRE-MRXNPFEDSA-N 1 0 360.357 2.594 20 5 FFBDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000436299604 513820587 /nfs/dbraw/zinc/82/05/87/513820587.db2.gz SKFMVQLEQCHWPR-LXTVHRRPSA-N 1 0 350.419 2.596 20 5 FFBDRO COc1ccc(C[N@H+](C)CCCO)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000442971767 513831732 /nfs/dbraw/zinc/83/17/32/513831732.db2.gz YKIYTMUCEGZFQB-UHFFFAOYSA-N 1 0 360.410 2.997 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CC[C@H](OC)C(C)(C)C1 ZINC000451566724 513838103 /nfs/dbraw/zinc/83/81/03/513838103.db2.gz OURZFUABTVMZFQ-WBMJQRKESA-N 1 0 365.430 2.677 20 5 FFBDRO O=C(C[NH2+][C@@H]([C@@H](CO)C1CC1)C1CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000451612799 513866171 /nfs/dbraw/zinc/86/61/71/513866171.db2.gz QGNJNCDXVRDMRP-SUMWQHHRSA-N 1 0 367.833 2.573 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CC[C@@H]4C[C@@H](O)CC[C@@H]4C3)o2)cc1 ZINC000451714592 513933215 /nfs/dbraw/zinc/93/32/15/513933215.db2.gz SIBCTDXKSSOTIX-FMKPAKJESA-N 1 0 358.398 2.628 20 5 FFBDRO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448925122 513972321 /nfs/dbraw/zinc/97/23/21/513972321.db2.gz MCMSKMNNXXINOF-HNNXBMFYSA-N 1 0 369.425 2.527 20 5 FFBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@](C)(O)CC[NH+](C)C ZINC000420008100 513995314 /nfs/dbraw/zinc/99/53/14/513995314.db2.gz DDLXHGCVSPMJCT-KRWDZBQOSA-N 1 0 369.487 2.529 20 5 FFBDRO Cc1c([C@H]2OCC[C@@H]2[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])cnn1C ZINC000431941908 514046540 /nfs/dbraw/zinc/04/65/40/514046540.db2.gz NHRLDQZFFUUXAW-GOEBONIOSA-N 1 0 350.806 2.910 20 5 FFBDRO C[NH+](C)CCCC(C)(C)NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000451886488 514046870 /nfs/dbraw/zinc/04/68/70/514046870.db2.gz IOFUSKREPARVQX-UHFFFAOYSA-N 1 0 363.867 2.647 20 5 FFBDRO O=[N+]([O-])c1ccc(NCC[C@H]2CCC[NH2+]C2)nc1OCc1ccccc1 ZINC000420190676 514046998 /nfs/dbraw/zinc/04/69/98/514046998.db2.gz HDZWZARCGMNRKA-OAHLLOKOSA-N 1 0 356.426 2.792 20 5 FFBDRO O=[N+]([O-])c1ccc(NCC[C@@H]2CCC[NH2+]C2)nc1OCc1ccccc1 ZINC000420190674 514047872 /nfs/dbraw/zinc/04/78/72/514047872.db2.gz HDZWZARCGMNRKA-HNNXBMFYSA-N 1 0 356.426 2.792 20 5 FFBDRO [NH3+]CCCCNc1ccc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-] ZINC000420227830 514054126 /nfs/dbraw/zinc/05/41/26/514054126.db2.gz DGLMIIWLLVHBSU-UHFFFAOYSA-N 1 0 364.427 2.546 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000426862486 514061346 /nfs/dbraw/zinc/06/13/46/514061346.db2.gz SXWXZXUKTGHXAK-KRWDZBQOSA-N 1 0 357.410 2.945 20 5 FFBDRO O=[N+]([O-])c1ccccc1C[C@@H](Nc1ccc(N2CC[NH2+]CC2)cn1)C1CC1 ZINC000423237988 514088029 /nfs/dbraw/zinc/08/80/29/514088029.db2.gz UOXCXXUXGUZBMY-GOSISDBHSA-N 1 0 367.453 2.833 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCNC(=O)c1c(F)cccc1F ZINC000449142538 514090501 /nfs/dbraw/zinc/09/05/01/514090501.db2.gz OJEOBENQEBRLLN-GFCCVEGCSA-N 1 0 363.364 2.824 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@]3(CCSC3)C2)c1 ZINC000451963709 514098168 /nfs/dbraw/zinc/09/81/68/514098168.db2.gz IURGVNBELQKNLI-WBVHZDCISA-N 1 0 352.456 2.554 20 5 FFBDRO Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CC[NH2+][C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000420342833 514103169 /nfs/dbraw/zinc/10/31/69/514103169.db2.gz YGPKSRNQGSZGQN-HNAYVOBHSA-N 1 0 368.437 2.877 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@]2(CCSC2)C1 ZINC000451981006 514108022 /nfs/dbraw/zinc/10/80/22/514108022.db2.gz RUNOMMRMMFRRTK-KRWDZBQOSA-N 1 0 365.455 2.761 20 5 FFBDRO C[C@H]([NH3+])c1ccc(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000423349952 514115485 /nfs/dbraw/zinc/11/54/85/514115485.db2.gz XXPKHGXHHPSCPQ-AWEZNQCLSA-N 1 0 354.410 2.577 20 5 FFBDRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000420386026 514119357 /nfs/dbraw/zinc/11/93/57/514119357.db2.gz UILVMZZKRCRUEF-NVXWUHKLSA-N 1 0 353.850 2.967 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCN(Cc2ccccn2)C1=O ZINC000449240672 514126683 /nfs/dbraw/zinc/12/66/83/514126683.db2.gz OHLGMOJPIUNIJB-QAPCUYQASA-N 1 0 368.437 2.702 20 5 FFBDRO O=C1[C@H](N2CC[C@H](C[NH+]3CCCCC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000444205627 514153683 /nfs/dbraw/zinc/15/36/83/514153683.db2.gz NBOYXFXEKKBDQT-VQIMIIECSA-N 1 0 372.469 2.508 20 5 FFBDRO C[C@]12C[N@H+](CC(=O)Nc3cc4c(cc3[N+](=O)[O-])OCO4)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000452041573 514155922 /nfs/dbraw/zinc/15/59/22/514155922.db2.gz JTCQTRAYJFRDOR-OYHXCVFBSA-N 1 0 373.409 2.630 20 5 FFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423535295 514163952 /nfs/dbraw/zinc/16/39/52/514163952.db2.gz XJDDEZLMNUPSIC-MDASCCDHSA-N 1 0 368.437 2.657 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CS(=O)(=O)c2ccccc21 ZINC000449360928 514179396 /nfs/dbraw/zinc/17/93/96/514179396.db2.gz VYINOTBBCBSYPL-HIFRSBDPSA-N 1 0 360.435 2.687 20 5 FFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](CO)c1ccc(F)cc1 ZINC000449380236 514187430 /nfs/dbraw/zinc/18/74/30/514187430.db2.gz MIGMHSJNBFDAFL-PXAZEXFGSA-N 1 0 361.373 2.774 20 5 FFBDRO C[C@H]1C[C@H](NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)CC[NH2+]1 ZINC000423627609 514188389 /nfs/dbraw/zinc/18/83/89/514188389.db2.gz UXIYSPVQFWZOPA-NWDGAFQWSA-N 1 0 353.397 2.691 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc3c(c2)C[NH2+]CCO3)c1 ZINC000423650735 514194174 /nfs/dbraw/zinc/19/41/74/514194174.db2.gz MBCIMQZDMFIPKT-UHFFFAOYSA-N 1 0 357.366 2.728 20 5 FFBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+][C@H]1CCCN(CCCO)C1 ZINC000449399200 514197168 /nfs/dbraw/zinc/19/71/68/514197168.db2.gz YKOWIARNXXZMSR-YTQUADARSA-N 1 0 361.486 2.742 20 5 FFBDRO COc1cc(C(=O)NC[C@H]2[NH2+]CCc3ccccc32)cc([N+](=O)[O-])c1C ZINC000423677082 514198802 /nfs/dbraw/zinc/19/88/02/514198802.db2.gz RPRWUDBGFDTIPE-MRXNPFEDSA-N 1 0 355.394 2.529 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000417180055 514215501 /nfs/dbraw/zinc/21/55/01/514215501.db2.gz MYEIDULXFKAOKB-QGZVFWFLSA-N 1 0 372.425 2.883 20 5 FFBDRO COC[C@@]1(C(=O)OC)CC[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000449455037 514217214 /nfs/dbraw/zinc/21/72/14/514217214.db2.gz QDEHKNKMTXWWEV-GOSISDBHSA-N 1 0 350.415 2.730 20 5 FFBDRO COc1ccc(CNC(=O)NCc2ccc([C@@H](C)[NH3+])cc2)cc1[N+](=O)[O-] ZINC000417194450 514223072 /nfs/dbraw/zinc/22/30/72/514223072.db2.gz MPLXQFXOSZBWAW-GFCCVEGCSA-N 1 0 358.398 2.623 20 5 FFBDRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000414654409 514223461 /nfs/dbraw/zinc/22/34/61/514223461.db2.gz JIEZUKCQTXCVIS-HNNXBMFYSA-N 1 0 358.398 2.987 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+]Cc2cc(C)cs2)cc1[N+](=O)[O-] ZINC000449481398 514225541 /nfs/dbraw/zinc/22/55/41/514225541.db2.gz SQXKDXNHMMTICB-UHFFFAOYSA-N 1 0 350.396 2.806 20 5 FFBDRO COC(=O)COc1ccc(C[N@@H+]2C[C@H](C3CC3)[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000449542635 514247606 /nfs/dbraw/zinc/24/76/06/514247606.db2.gz QUYKEFHRFITTCE-BEFAXECRSA-N 1 0 360.410 2.767 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@H]([NH+](C)C)Cc2ccccc21 ZINC000427597523 514260662 /nfs/dbraw/zinc/26/06/62/514260662.db2.gz VPZPOLJDGPXZSX-OAHLLOKOSA-N 1 0 355.394 2.737 20 5 FFBDRO [NH3+][C@@H]1CCC[C@H](CNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000449641014 514276777 /nfs/dbraw/zinc/27/67/77/514276777.db2.gz CGVQCTUVCPLQHQ-WCQYABFASA-N 1 0 360.439 2.966 20 5 FFBDRO CCOc1cc(NC(=O)NCC[C@H]2CC[NH2+]C2)c([N+](=O)[O-])cc1OCC ZINC000414758305 514276845 /nfs/dbraw/zinc/27/68/45/514276845.db2.gz MRKFLRADALPMPW-GFCCVEGCSA-N 1 0 366.418 2.513 20 5 FFBDRO [NH3+][C@@H]1CCC[C@H](CNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000449646416 514278980 /nfs/dbraw/zinc/27/89/80/514278980.db2.gz NTKVYNSBOZAEPU-WCQYABFASA-N 1 0 360.439 2.966 20 5 FFBDRO CCOc1cc(NC(=O)N[C@H]2CC[C@H](C[NH3+])C2)c([N+](=O)[O-])cc1OCC ZINC000414762367 514279771 /nfs/dbraw/zinc/27/97/71/514279771.db2.gz VWXPHNVOCIZMJH-RYUDHWBXSA-N 1 0 366.418 2.641 20 5 FFBDRO C[C@H]1CCCN(c2ccc(C(=O)N(C)C3(C[NH3+])CCC3)cc2[N+](=O)[O-])C1 ZINC000449672409 514294831 /nfs/dbraw/zinc/29/48/31/514294831.db2.gz WBOJQIBSAZMCEQ-AWEZNQCLSA-N 1 0 360.458 2.785 20 5 FFBDRO CCCOc1cc(NC(=O)N[C@H]2CC[NH2+]C2)c([N+](=O)[O-])cc1OCCC ZINC000414794455 514296806 /nfs/dbraw/zinc/29/68/06/514296806.db2.gz TXSRGVMNGFWARB-LBPRGKRZSA-N 1 0 366.418 2.656 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]([NH3+])c2ccccc2CC)c1 ZINC000423948020 514302375 /nfs/dbraw/zinc/30/23/75/514302375.db2.gz WPQDJPZBCTZRDD-KRWDZBQOSA-N 1 0 357.410 2.986 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N[C@H]3CC[NH2+]CC3(C)C)cc2[N+](=O)[O-])C1 ZINC000449692959 514307386 /nfs/dbraw/zinc/30/73/86/514307386.db2.gz CAFHSKNPJHUYKF-KDOFPFPSSA-N 1 0 374.485 2.949 20 5 FFBDRO [NH3+]C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)C1CCCC1 ZINC000423961312 514309168 /nfs/dbraw/zinc/30/91/68/514309168.db2.gz OAFQZLQPCPJFJC-CYBMUJFWSA-N 1 0 356.220 2.605 20 5 FFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000449698497 514311995 /nfs/dbraw/zinc/31/19/95/514311995.db2.gz NCVNAQMRVYVZDW-UONOGXRCSA-N 1 0 351.834 2.639 20 5 FFBDRO Cn1ccnc1[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000449774706 514348753 /nfs/dbraw/zinc/34/87/53/514348753.db2.gz PFAULXSKNWJKOS-SWLSCSKDSA-N 1 0 350.806 2.992 20 5 FFBDRO C[C@H]1CN(CCO)CC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000449787949 514354265 /nfs/dbraw/zinc/35/42/65/514354265.db2.gz WWDGXOMLTKCTEV-AWEZNQCLSA-N 1 0 361.467 2.822 20 5 FFBDRO C[C@@H]([NH3+])C1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000414941995 514366763 /nfs/dbraw/zinc/36/67/63/514366763.db2.gz DFTMOKONXCTUFT-SECBINFHSA-N 1 0 358.345 2.787 20 5 FFBDRO C[C@H]1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@H]1C[NH3+] ZINC000414946708 514369146 /nfs/dbraw/zinc/36/91/46/514369146.db2.gz JXHLKHLERGOOSP-VHSXEESVSA-N 1 0 358.345 2.645 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](CC(F)(F)F)C2)c1 ZINC000420938479 514388748 /nfs/dbraw/zinc/38/87/48/514388748.db2.gz AWYVRSDJBZDBOM-GXTWGEPZSA-N 1 0 362.348 2.999 20 5 FFBDRO COc1cc(C[N@@H+]2C[C@H](C)C[C@@H](CO)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000420949386 514396987 /nfs/dbraw/zinc/39/69/87/514396987.db2.gz VLRCYHXPXMLUKI-VXGBXAGGSA-N 1 0 374.384 2.698 20 5 FFBDRO CN(C)C(=O)[C@@H]1CC[C@H](C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)O1 ZINC000433226820 514427291 /nfs/dbraw/zinc/42/72/91/514427291.db2.gz IFBIZNXZDCDRJG-COXVUDFISA-N 1 0 361.442 2.543 20 5 FFBDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000449964771 514444708 /nfs/dbraw/zinc/44/47/08/514444708.db2.gz KANRDJBFLGIYGZ-MRXNPFEDSA-N 1 0 361.442 2.891 20 5 FFBDRO C[C@@H](c1ccccc1)[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000421034561 514450776 /nfs/dbraw/zinc/45/07/76/514450776.db2.gz YSAKRWMPWLRACV-AWEZNQCLSA-N 1 0 363.439 2.566 20 5 FFBDRO C[C@H]1CCCN(c2ccc(C(=O)N3CCCC[C@H]3C[NH3+])cc2[N+](=O)[O-])C1 ZINC000428519380 514488090 /nfs/dbraw/zinc/48/80/90/514488090.db2.gz CFGWSGPZGCHUFA-HOCLYGCPSA-N 1 0 360.458 2.785 20 5 FFBDRO COc1cccc([C@@H](CNc2ncc([N+](=O)[O-])c(C)n2)[NH+]2CCCC2)c1 ZINC000450219093 514548897 /nfs/dbraw/zinc/54/88/97/514548897.db2.gz BTAAGWJUGWRYIF-QGZVFWFLSA-N 1 0 357.414 2.951 20 5 FFBDRO CCOC(=O)[C@]1(COC)CCC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000439484838 514562561 /nfs/dbraw/zinc/56/25/61/514562561.db2.gz FTFLJRHNYIJMST-RDTXWAMCSA-N 1 0 350.415 2.948 20 5 FFBDRO CCOC(=O)[C@@]1(COC)CCC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000439485732 514564350 /nfs/dbraw/zinc/56/43/50/514564350.db2.gz UOGXGTOPEJHNRW-SFHVURJKSA-N 1 0 350.415 2.695 20 5 FFBDRO COCC[N@H+](C)CCCNc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000450255051 514567586 /nfs/dbraw/zinc/56/75/86/514567586.db2.gz AIFFREFHYLLQHH-UHFFFAOYSA-N 1 0 350.444 2.520 20 5 FFBDRO C[NH+]1CCC(Cc2nc(-c3ccc([N+](=O)[O-])c4c3CCCN4)no2)CC1 ZINC000453238505 514575789 /nfs/dbraw/zinc/57/57/89/514575789.db2.gz NZMUOFBJDMVJSV-UHFFFAOYSA-N 1 0 357.414 2.887 20 5 FFBDRO Cc1cc(NC(=O)COc2ccccc2[N+](=O)[O-])ccc1OCC[NH+](C)C ZINC000458188491 514613235 /nfs/dbraw/zinc/61/32/35/514613235.db2.gz AQJRTCHUVMTBPE-UHFFFAOYSA-N 1 0 373.409 2.861 20 5 FFBDRO CC[NH+](CC)Cc1ccc(CNc2ccc3ncc([N+](=O)[O-])n3n2)cc1 ZINC000502409317 514641498 /nfs/dbraw/zinc/64/14/98/514641498.db2.gz ZZEDUAPATSLZAJ-UHFFFAOYSA-N 1 0 354.414 2.513 20 5 FFBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000461607836 514663831 /nfs/dbraw/zinc/66/38/31/514663831.db2.gz JZRFADMXTJXWJJ-CQSZACIVSA-N 1 0 359.430 2.631 20 5 FFBDRO CC(C)CN(CC(C)C)C(=O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000489021717 514676975 /nfs/dbraw/zinc/67/69/75/514676975.db2.gz YWKRLEWYPOVABJ-UHFFFAOYSA-N 1 0 365.478 2.569 20 5 FFBDRO COC(=O)COc1ccc(C[N@@H+]2CCC[C@@](C)(OC)CC2)cc1[N+](=O)[O-] ZINC000475559684 514714184 /nfs/dbraw/zinc/71/41/84/514714184.db2.gz FHARAVZLUXNTMO-GOSISDBHSA-N 1 0 366.414 2.538 20 5 FFBDRO CCC1(CC)[C@H]([NH2+][C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@@H]1OC ZINC000479892746 514762224 /nfs/dbraw/zinc/76/22/24/514762224.db2.gz VFBYXVOEUGXDLD-BBWFWOEESA-N 1 0 361.442 2.883 20 5 FFBDRO COc1c(C(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000476046129 514897232 /nfs/dbraw/zinc/89/72/32/514897232.db2.gz ZSEDMGUCDSMWGI-UHFFFAOYSA-N 1 0 373.409 2.933 20 5 FFBDRO CNc1nc(C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)ccc1[N+](=O)[O-] ZINC000456006964 514899891 /nfs/dbraw/zinc/89/98/91/514899891.db2.gz CNHONXUCXDIVDU-UHFFFAOYSA-N 1 0 369.425 2.922 20 5 FFBDRO CCCC[N@H+](C)CCNS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000489677467 514934161 /nfs/dbraw/zinc/93/41/61/514934161.db2.gz MOZQIVJMRVVAFO-UHFFFAOYSA-N 1 0 363.867 2.567 20 5 FFBDRO CC(C)[NH+](CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C)C(C)C ZINC000508969394 514970883 /nfs/dbraw/zinc/97/08/83/514970883.db2.gz BKOAOTRUDOXQCG-UHFFFAOYSA-N 1 0 360.462 2.945 20 5 FFBDRO COc1cc(CN2CCCC[C@@H]2CC[NH3+])c([N+](=O)[O-])cc1OC(F)F ZINC000489797582 514978529 /nfs/dbraw/zinc/97/85/29/514978529.db2.gz SKWGZSWOCHOGAJ-GFCCVEGCSA-N 1 0 359.373 2.908 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[N@H+](C)CC[C@H]1C ZINC000498711317 515036250 /nfs/dbraw/zinc/03/62/50/515036250.db2.gz SYBGJLSVFUIZMJ-NEPJUHHUSA-N 1 0 355.822 2.568 20 5 FFBDRO Cc1ccnc(C)c1NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000485477246 515055175 /nfs/dbraw/zinc/05/51/75/515055175.db2.gz GPIQLUFWWDWFGH-UHFFFAOYSA-N 1 0 370.365 2.933 20 5 FFBDRO Cc1nn(CCC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)c(C)c1[N+](=O)[O-] ZINC000456275230 515063203 /nfs/dbraw/zinc/06/32/03/515063203.db2.gz MYDXTPNEZUUCJD-QGZVFWFLSA-N 1 0 371.441 2.986 20 5 FFBDRO COc1c(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000476474787 515063339 /nfs/dbraw/zinc/06/33/39/515063339.db2.gz ZWGNJUUNZLUDNM-RDJZCZTQSA-N 1 0 355.394 2.779 20 5 FFBDRO CC(C)(CC[NH+]1CCCCCC1)NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000476562805 515103848 /nfs/dbraw/zinc/10/38/48/515103848.db2.gz IOAOLKDTCIQGRR-UHFFFAOYSA-N 1 0 369.487 2.918 20 5 FFBDRO COc1c(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)cccc1[N+](=O)[O-] ZINC000476577343 515112404 /nfs/dbraw/zinc/11/24/04/515112404.db2.gz QZNGMMUOKNQRDX-UHFFFAOYSA-N 1 0 370.409 2.645 20 5 FFBDRO CC[C@H]1C[N@H+](CC)CCN1C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000456382430 515143861 /nfs/dbraw/zinc/14/38/61/515143861.db2.gz OULFOKUAMUDTCN-LBPRGKRZSA-N 1 0 357.357 2.753 20 5 FFBDRO COc1c(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000476696906 515161924 /nfs/dbraw/zinc/16/19/24/515161924.db2.gz VVZAFWUDJXDZOG-WMLDXEAASA-N 1 0 369.421 2.854 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(C)CC[NH+](C(C)C)C(C)C ZINC000503965801 515184388 /nfs/dbraw/zinc/18/43/88/515184388.db2.gz UHWXLZVVHDRNPO-UHFFFAOYSA-N 1 0 371.503 2.951 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N(C)CC[NH+](C(C)C)C(C)C ZINC000503978067 515188107 /nfs/dbraw/zinc/18/81/07/515188107.db2.gz PFJNKYBXBWQALM-UHFFFAOYSA-N 1 0 366.462 2.864 20 5 FFBDRO CC(C)[NH+](CCN(C)C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)C(C)C ZINC000504117759 515223600 /nfs/dbraw/zinc/22/36/00/515223600.db2.gz DYUYPMNOUXMRQI-UHFFFAOYSA-N 1 0 351.403 2.514 20 5 FFBDRO CC[C@H](C)[NH+]1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000456519612 515232736 /nfs/dbraw/zinc/23/27/36/515232736.db2.gz ATGJBMPFGCVJJS-ZDUSSCGKSA-N 1 0 351.422 2.954 20 5 FFBDRO CC[C@@H](C)[NH+]1CCN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CC1 ZINC000456532888 515239243 /nfs/dbraw/zinc/23/92/43/515239243.db2.gz QCABYACWMWKTFI-LLVKDONJSA-N 1 0 357.357 2.753 20 5 FFBDRO CC[C@H](C)[NH+]1CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 ZINC000456550861 515250762 /nfs/dbraw/zinc/25/07/62/515250762.db2.gz LVGMZXLPVWIKGL-HNNXBMFYSA-N 1 0 360.458 2.751 20 5 FFBDRO CC(C)(C)C1=CC[N@H+](CCNC(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000476948045 515260776 /nfs/dbraw/zinc/26/07/76/515260776.db2.gz BLMZCGUFTZJJID-UHFFFAOYSA-N 1 0 361.442 2.768 20 5 FFBDRO CC(C)O[C@@H]1C[C@@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000462848964 515268426 /nfs/dbraw/zinc/26/84/26/515268426.db2.gz ZMIJIRSSKRPLCH-HZPDHXFCSA-N 1 0 370.471 2.550 20 5 FFBDRO C[C@H](CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)C[NH+]1CCCCC1 ZINC000485980699 515283805 /nfs/dbraw/zinc/28/38/05/515283805.db2.gz RKLSZFWHARCJOG-GFCCVEGCSA-N 1 0 355.385 2.654 20 5 FFBDRO C[C@@H](CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)C[NH+]1CCCCC1 ZINC000485980701 515284162 /nfs/dbraw/zinc/28/41/62/515284162.db2.gz RKLSZFWHARCJOG-LBPRGKRZSA-N 1 0 355.385 2.654 20 5 FFBDRO O=C1[C@H]([N@@H+]2CCC[C@]3(CCCOC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000477051875 515303472 /nfs/dbraw/zinc/30/34/72/515303472.db2.gz RBZSOYHJYGJXED-MJGOQNOKSA-N 1 0 359.426 2.593 20 5 FFBDRO CO[C@@H](c1ccccc1Cl)[C@H](C)[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000481513040 515354991 /nfs/dbraw/zinc/35/49/91/515354991.db2.gz CXZNWUXSHLZQDI-YVEFUNNKSA-N 1 0 365.817 2.776 20 5 FFBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000463143379 515378517 /nfs/dbraw/zinc/37/85/17/515378517.db2.gz OEQSODDHOSCARK-BZUAXINKSA-N 1 0 362.474 2.514 20 5 FFBDRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000491256631 515402166 /nfs/dbraw/zinc/40/21/66/515402166.db2.gz UXOZXQSWEVSFSA-HNNXBMFYSA-N 1 0 366.421 2.979 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CC[NH+]3CCC2CC3)nc1OCc1ccccc1 ZINC000468600685 515429919 /nfs/dbraw/zinc/42/99/19/515429919.db2.gz SHWMPNDDMYDXGA-UHFFFAOYSA-N 1 0 354.410 2.853 20 5 FFBDRO C[C@H](CO)[N@@H+]1CCCN(c2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)CC1 ZINC000468749178 515502224 /nfs/dbraw/zinc/50/22/24/515502224.db2.gz JEOYXINFRHFZDV-CQSZACIVSA-N 1 0 351.447 2.665 20 5 FFBDRO COc1cccc([C@@H]2[C@@H](NC(=O)c3ccc([N+](=O)[O-])[nH]3)CC[N@@H+]2C2CC2)c1 ZINC000482047138 515557305 /nfs/dbraw/zinc/55/73/05/515557305.db2.gz WAZRZHZECOTURE-MAUKXSAKSA-N 1 0 370.409 2.639 20 5 FFBDRO COc1cc(C[N@@H+]2CC[C@H]3[C@H](CCC(=O)N3C3CC3)C2)ccc1[N+](=O)[O-] ZINC000492831439 515565953 /nfs/dbraw/zinc/56/59/53/515565953.db2.gz NVSOCSVKSPQONR-ZBFHGGJFSA-N 1 0 359.426 2.579 20 5 FFBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N1CC[NH+](C2CCCCC2)CC1 ZINC000482075661 515566450 /nfs/dbraw/zinc/56/64/50/515566450.db2.gz XRRXLKZSIHOKQG-UHFFFAOYSA-N 1 0 360.458 2.874 20 5 FFBDRO CCOc1cc(C[NH2+][C@H]2CCO[C@@H]2c2cnn(C)c2C)ccc1[N+](=O)[O-] ZINC000492888675 515575363 /nfs/dbraw/zinc/57/53/63/515575363.db2.gz JKLOSZOGVBZEEZ-MAUKXSAKSA-N 1 0 360.414 2.655 20 5 FFBDRO COC(=O)C[C@@]1([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCOC1 ZINC000463706128 515588588 /nfs/dbraw/zinc/58/85/88/515588588.db2.gz NIDZQSGGQBGGDD-SFHVURJKSA-N 1 0 360.366 2.667 20 5 FFBDRO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000482152917 515590339 /nfs/dbraw/zinc/59/03/39/515590339.db2.gz SSGPXTGZKCQYEG-SJORKVTESA-N 1 0 362.474 2.684 20 5 FFBDRO C[NH+](C)[C@H]1CCOc2c(NC(=O)COc3ccccc3[N+](=O)[O-])cccc21 ZINC000468939039 515590809 /nfs/dbraw/zinc/59/08/09/515590809.db2.gz KQFHQHHSJBMNKT-HNNXBMFYSA-N 1 0 371.393 2.998 20 5 FFBDRO COc1cc(CN2C[C@@H](C)[N@H+](C)C[C@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000505627287 515614731 /nfs/dbraw/zinc/61/47/31/515614731.db2.gz BXKANRXTAPVJIS-VXGBXAGGSA-N 1 0 373.400 2.772 20 5 FFBDRO C[C@H]1C[NH+](CCCCNc2nc3ccccc3cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000473515015 515642871 /nfs/dbraw/zinc/64/28/71/515642871.db2.gz UKXAYZFGKRGCEL-GJZGRUSLSA-N 1 0 358.442 2.866 20 5 FFBDRO C[C@@H](CNC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)[N@H+](C)C1CC1 ZINC000454659709 515647888 /nfs/dbraw/zinc/64/78/88/515647888.db2.gz RPXDXEZGWYFQDH-GOEBONIOSA-N 1 0 360.458 2.967 20 5 FFBDRO COc1cc(C[NH2+][C@H]2CCC[C@@]2(C)CO)c([N+](=O)[O-])cc1OCC(F)F ZINC000493738912 515660202 /nfs/dbraw/zinc/66/02/02/515660202.db2.gz WECMUJQAOSHEQN-RDJZCZTQSA-N 1 0 374.384 2.888 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)C[C@H]1C ZINC000493891584 515678796 /nfs/dbraw/zinc/67/87/96/515678796.db2.gz OEJLICDPQHHOSB-HUUCEWRRSA-N 1 0 369.487 2.705 20 5 FFBDRO COc1cc(C[NH2+][C@@H]2CCC[C@H]2O)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000459602165 515686135 /nfs/dbraw/zinc/68/61/35/515686135.db2.gz YNRKCQXUJOOSNT-ZYHUDNBSSA-N 1 0 364.320 2.548 20 5 FFBDRO C[C@@H](CCCc1cccnc1)[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000459637035 515712696 /nfs/dbraw/zinc/71/26/96/515712696.db2.gz HVTQUNKWHYAGRX-HNNXBMFYSA-N 1 0 368.437 2.880 20 5 FFBDRO C[C@H](CCCc1cccnc1)[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000459643890 515716383 /nfs/dbraw/zinc/71/63/83/515716383.db2.gz OVVPBUKWFVCOFT-OAHLLOKOSA-N 1 0 368.437 2.880 20 5 FFBDRO COc1ccc(NC(=O)C[NH2+][C@@H](C)CCCc2cccnc2)c([N+](=O)[O-])c1 ZINC000459643878 515717322 /nfs/dbraw/zinc/71/73/22/515717322.db2.gz OUHIXAJWIWTXNY-AWEZNQCLSA-N 1 0 372.425 2.938 20 5 FFBDRO C[NH+](C)[C@H]1CCOc2c(NC(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)cccc21 ZINC000469203533 515719830 /nfs/dbraw/zinc/71/98/30/515719830.db2.gz JFHFREBAZSPCDI-HNNXBMFYSA-N 1 0 373.413 2.550 20 5 FFBDRO CC[NH+](CC)[C@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)c1ccccc1Cl ZINC000505985900 515742811 /nfs/dbraw/zinc/74/28/11/515742811.db2.gz DHCCXHPABRCETA-CQSZACIVSA-N 1 0 365.821 2.784 20 5 FFBDRO CCOC[C@@H]1CCCC[N@@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000459728268 515773441 /nfs/dbraw/zinc/77/34/41/515773441.db2.gz ZFHQRRATNKQRJX-HNNXBMFYSA-N 1 0 363.414 2.784 20 5 FFBDRO CCN(CCC[NH+](CC)CC)S(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000473937882 515810192 /nfs/dbraw/zinc/81/01/92/515810192.db2.gz BAWVDCVXLXXZBJ-UHFFFAOYSA-N 1 0 371.503 2.954 20 5 FFBDRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)[NH+](C)C ZINC000464419896 515816798 /nfs/dbraw/zinc/81/67/98/515816798.db2.gz NZFRIWRZNMCVKA-RHSMWYFYSA-N 1 0 373.457 2.642 20 5 FFBDRO C[C@H](C[N@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000459812628 515823363 /nfs/dbraw/zinc/82/33/63/515823363.db2.gz RZHREPVHYGZXIU-CHWSQXEVSA-N 1 0 365.430 2.831 20 5 FFBDRO COc1ccccc1[C@H]1[C@@H]([NH3+])CCCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000457367639 515830279 /nfs/dbraw/zinc/83/02/79/515830279.db2.gz WURDPJAMYRXVGK-BBRMVZONSA-N 1 0 361.423 2.970 20 5 FFBDRO COC(=O)COc1ccc(CNc2ccc3c(c2)C[N@@H+](C)C3)cc1[N+](=O)[O-] ZINC000473989262 515833148 /nfs/dbraw/zinc/83/31/48/515833148.db2.gz KSOXXMCJCSKHJA-UHFFFAOYSA-N 1 0 371.393 2.704 20 5 FFBDRO COc1ccc(CNC(=O)N[C@@H](C)C[NH+]2CCCCCC2)cc1[N+](=O)[O-] ZINC000482888213 515835487 /nfs/dbraw/zinc/83/54/87/515835487.db2.gz KGJXIYMTGNLPDO-AWEZNQCLSA-N 1 0 364.446 2.667 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+]CCc2sccc2C)cc1[N+](=O)[O-] ZINC000474023193 515846714 /nfs/dbraw/zinc/84/67/14/515846714.db2.gz QEVSVAFOLXEZAF-UHFFFAOYSA-N 1 0 364.423 2.849 20 5 FFBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+](CCOC)C1 ZINC000506353602 515857237 /nfs/dbraw/zinc/85/72/37/515857237.db2.gz FPFJLQXMOOYIDM-CYBMUJFWSA-N 1 0 367.471 2.547 20 5 FFBDRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1c(N)cccc1[N+](=O)[O-])[NH+](C)C ZINC000487438967 515861911 /nfs/dbraw/zinc/86/19/11/515861911.db2.gz JIODUNJWLINCEN-ACJLOTCBSA-N 1 0 356.426 2.907 20 5 FFBDRO C[C@H](CNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](C)C1 ZINC000511471403 515917792 /nfs/dbraw/zinc/91/77/92/515917792.db2.gz AORYDJHUBHUQQH-JKSUJKDBSA-N 1 0 362.474 2.899 20 5 FFBDRO CO[C@]1(C)C[C@H]([N@H+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1(C)C ZINC000464820543 515972188 /nfs/dbraw/zinc/97/21/88/515972188.db2.gz FQBZTXYZDQUHEH-QFBILLFUSA-N 1 0 361.442 2.619 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+]Cc2ccc(C)cc2OC)cc1[N+](=O)[O-] ZINC000474340474 515999276 /nfs/dbraw/zinc/99/92/76/515999276.db2.gz FKYHRNFNBQSPDX-UHFFFAOYSA-N 1 0 374.393 2.753 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+]Cc2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000474345400 516003022 /nfs/dbraw/zinc/00/30/22/516003022.db2.gz AIQGTDDONWTWEA-UHFFFAOYSA-N 1 0 366.320 2.715 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000464925371 516017603 /nfs/dbraw/zinc/01/76/03/516017603.db2.gz IUHGHZWXEHFKCY-DGCLKSJQSA-N 1 0 355.822 2.568 20 5 FFBDRO CS[C@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C[C@H]1[NH+]1CCCC1 ZINC000483386854 516057313 /nfs/dbraw/zinc/05/73/13/516057313.db2.gz MVDSUBMNRKALQQ-CABCVRRESA-N 1 0 369.874 2.900 20 5 FFBDRO COCC[N@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@H]1CCC[C@H]1C ZINC000487992115 516067463 /nfs/dbraw/zinc/06/74/63/516067463.db2.gz XBICEWLWNKIBTM-CJNGLKHVSA-N 1 0 365.430 2.679 20 5 FFBDRO COCC[N@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@@H]1CCC[C@@H]1C ZINC000487992118 516067725 /nfs/dbraw/zinc/06/77/25/516067725.db2.gz XBICEWLWNKIBTM-XJKSGUPXSA-N 1 0 365.430 2.679 20 5 FFBDRO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000495181090 516091707 /nfs/dbraw/zinc/09/17/07/516091707.db2.gz BTBYDRUJCWNAGZ-GFCCVEGCSA-N 1 0 372.347 2.650 20 5 FFBDRO CCOCC[N@@H+]1CCN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C[C@@H]1CC ZINC000470123312 516129022 /nfs/dbraw/zinc/12/90/22/516129022.db2.gz DVCFFYSDBNMUNG-HNNXBMFYSA-N 1 0 368.409 2.699 20 5 FFBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000470162923 516153879 /nfs/dbraw/zinc/15/38/79/516153879.db2.gz IISRYBDNEYOPFX-KRWDZBQOSA-N 1 0 356.426 2.683 20 5 FFBDRO COc1c(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000474779230 516192269 /nfs/dbraw/zinc/19/22/69/516192269.db2.gz FMJUDTFRAKUNSW-INIZCTEOSA-N 1 0 369.421 2.998 20 5 FFBDRO C[C@@H]1CSC[C@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000512204769 516196401 /nfs/dbraw/zinc/19/64/01/516196401.db2.gz VPBSWEDTMZJGQL-PRHODGIISA-N 1 0 374.260 2.637 20 5 FFBDRO C[N@H+](CC(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1)[C@@H]1CCSC1 ZINC000501729338 516207465 /nfs/dbraw/zinc/20/74/65/516207465.db2.gz LEKPWNPLOLWQHR-GDBMZVCRSA-N 1 0 367.496 2.606 20 5 FFBDRO C[N@H+](CC(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1)[C@H]1CCSC1 ZINC000501729340 516207632 /nfs/dbraw/zinc/20/76/32/516207632.db2.gz LEKPWNPLOLWQHR-HOCLYGCPSA-N 1 0 367.496 2.606 20 5 FFBDRO C[N@H+](CCCNC(=O)NCCc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000465616468 516210475 /nfs/dbraw/zinc/21/04/75/516210475.db2.gz SOYCZFMRGPXIEE-UHFFFAOYSA-N 1 0 370.453 2.959 20 5 FFBDRO Cn1cc(-c2ncc(C[NH2+]CCc3ccc(Cl)cc3[N+](=O)[O-])cn2)cn1 ZINC000474931828 516240169 /nfs/dbraw/zinc/24/01/69/516240169.db2.gz YAJSBDFPFCQYHR-UHFFFAOYSA-N 1 0 372.816 2.771 20 5 FFBDRO COc1ccccc1[C@@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)[NH+]1CCCC1 ZINC000496502737 516265244 /nfs/dbraw/zinc/26/52/44/516265244.db2.gz CRPZMEFSJUPWIB-MRXNPFEDSA-N 1 0 372.425 2.509 20 5 FFBDRO CC(C)c1ccc(C[C@@H]2CC[N@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000460984256 516296996 /nfs/dbraw/zinc/29/69/96/516296996.db2.gz VNBDAOQICXQLJM-PXNSSMCTSA-N 1 0 372.469 2.840 20 5 FFBDRO CN(C)C(=O)C[C@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000561107721 516383018 /nfs/dbraw/zinc/38/30/18/516383018.db2.gz PEBYVBCRPUUERT-SFHVURJKSA-N 1 0 357.410 2.783 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+]CC2(C(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC000512913798 516412033 /nfs/dbraw/zinc/41/20/33/516412033.db2.gz UEWBZULIHKZFFU-UHFFFAOYSA-N 1 0 362.304 2.579 20 5 FFBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC(CCc2ccc(O)cc2)CC1 ZINC000535583986 516412329 /nfs/dbraw/zinc/41/23/29/516412329.db2.gz XMBJNTPBCXYEPG-UHFFFAOYSA-N 1 0 371.437 2.807 20 5 FFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000531388795 516445576 /nfs/dbraw/zinc/44/55/76/516445576.db2.gz CVOMBFKJRMAUAF-PBHICJAKSA-N 1 0 356.426 2.574 20 5 FFBDRO Cc1ccccc1[C@@H](CO)[NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000543837984 516452403 /nfs/dbraw/zinc/45/24/03/516452403.db2.gz JYMONGRHRBOUCG-QGZVFWFLSA-N 1 0 357.410 2.863 20 5 FFBDRO COC(=O)c1cc(NC(=O)N[C@H](C)C[N@H+](C)C(C)C)c(C)c([N+](=O)[O-])c1 ZINC000517786014 516452865 /nfs/dbraw/zinc/45/28/65/516452865.db2.gz GXWAKUCCXJIYRC-LLVKDONJSA-N 1 0 366.418 2.540 20 5 FFBDRO CC(C)[C@H](C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)[NH+]1CCCCC1 ZINC000517818347 516461352 /nfs/dbraw/zinc/46/13/52/516461352.db2.gz PKVPLQAEJHUGLP-LJQANCHMSA-N 1 0 374.485 2.754 20 5 FFBDRO CNc1ccc(C(=O)NCc2ccc(C[NH+](C)C)c(F)c2)cc1[N+](=O)[O-] ZINC000535711374 516461751 /nfs/dbraw/zinc/46/17/51/516461751.db2.gz CZJHAIQFSPKNKM-UHFFFAOYSA-N 1 0 360.389 2.767 20 5 FFBDRO CN(C)[C@H](C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000557875510 516483697 /nfs/dbraw/zinc/48/36/97/516483697.db2.gz FFJCQKUCOQZNSN-KRWDZBQOSA-N 1 0 370.453 2.686 20 5 FFBDRO Cc1ccc(C[NH+]2CCC(C(=O)NCC(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC000535796004 516512250 /nfs/dbraw/zinc/51/22/50/516512250.db2.gz OHBWLLYESLBQPV-UHFFFAOYSA-N 1 0 359.348 2.794 20 5 FFBDRO CS(=O)(=O)[C@@H]1CCCC[C@@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000540359561 516525470 /nfs/dbraw/zinc/52/54/70/516525470.db2.gz CUJUYFQOKLYNQC-DLBZAZTESA-N 1 0 354.472 2.863 20 5 FFBDRO CS(=O)(=O)[C@H]1CCCC[C@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000540359572 516525698 /nfs/dbraw/zinc/52/56/98/516525698.db2.gz CUJUYFQOKLYNQC-SJORKVTESA-N 1 0 354.472 2.863 20 5 FFBDRO COc1cc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])ccc1OCCO ZINC000518396946 516643005 /nfs/dbraw/zinc/64/30/05/516643005.db2.gz KOPGTVUZBPVBSF-MRXNPFEDSA-N 1 0 358.394 2.752 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCC1([NH+](C)C)CCCCC1 ZINC000544252910 516664033 /nfs/dbraw/zinc/66/40/33/516664033.db2.gz BLCUVOVJZMHNGF-UHFFFAOYSA-N 1 0 364.446 2.667 20 5 FFBDRO CC[NH+](CC)[C@@H](CNC(=O)c1cc([N+](=O)[O-])cn1C)c1ccsc1 ZINC000518456428 516667328 /nfs/dbraw/zinc/66/73/28/516667328.db2.gz BVDGWXZJKHPQOG-HNNXBMFYSA-N 1 0 350.444 2.808 20 5 FFBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000518462266 516670443 /nfs/dbraw/zinc/67/04/43/516670443.db2.gz XWTVORWYCAUNKQ-GJZGRUSLSA-N 1 0 371.441 2.631 20 5 FFBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@H](O)COc1ccccc1)C1CC1 ZINC000531942463 516727001 /nfs/dbraw/zinc/72/70/01/516727001.db2.gz FDPIMXLVYZTGFF-PKOBYXMFSA-N 1 0 356.422 2.945 20 5 FFBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000561721658 516732124 /nfs/dbraw/zinc/73/21/24/516732124.db2.gz VKVUDDDZKWVUPT-KRWDZBQOSA-N 1 0 360.458 2.796 20 5 FFBDRO Cc1c(Br)c(N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000544392828 516739252 /nfs/dbraw/zinc/73/92/52/516739252.db2.gz BFBMFHMWOUIOFE-KOLCDFICSA-N 1 0 357.252 2.980 20 5 FFBDRO Cc1c(Br)c(NC[C@H](CC(C)C)[NH+](C)C)ncc1[N+](=O)[O-] ZINC000544394860 516740024 /nfs/dbraw/zinc/74/00/24/516740024.db2.gz RTTXGNRCXCLXOU-NSHDSACASA-N 1 0 359.268 2.871 20 5 FFBDRO C[C@@H](C[NH+](C)C)NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000561770078 516762850 /nfs/dbraw/zinc/76/28/50/516762850.db2.gz RDUJEVVEDKQWQX-JTQLQIEISA-N 1 0 359.376 2.639 20 5 FFBDRO O=C(C[NH2+][C@@H](CO)C1CCCCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000541053653 516847713 /nfs/dbraw/zinc/84/77/13/516847713.db2.gz JBZWVSISEVTOIA-HNNXBMFYSA-N 1 0 355.822 2.718 20 5 FFBDRO O=[N+]([O-])c1ccc(NC[C@H]2CC[N@@H+](C3CC3)C2)nc1OCc1ccccc1 ZINC000558649127 516859821 /nfs/dbraw/zinc/85/98/21/516859821.db2.gz LHDHHQRSGDGPEY-MRXNPFEDSA-N 1 0 368.437 2.887 20 5 FFBDRO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000555417387 516919563 /nfs/dbraw/zinc/91/95/63/516919563.db2.gz NIAQMCOXJXYKJG-KKBVYLPWSA-N 1 0 359.426 2.859 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CCOc2ccc(Cl)cc2)c1 ZINC000551888158 516931718 /nfs/dbraw/zinc/93/17/18/516931718.db2.gz OFDDVKBDCCFNEZ-HNNXBMFYSA-N 1 0 366.801 2.657 20 5 FFBDRO C[C@@H](CCNS(=O)(=O)c1ccccc1)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000558791339 516946262 /nfs/dbraw/zinc/94/62/62/516946262.db2.gz RSBIHKWVSZNLLE-LBPRGKRZSA-N 1 0 369.468 2.503 20 5 FFBDRO CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000558834892 516964750 /nfs/dbraw/zinc/96/47/50/516964750.db2.gz NCSWOXRUZZTXOF-INIZCTEOSA-N 1 0 358.446 2.650 20 5 FFBDRO C[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1c(F)cccc1F ZINC000541324196 516992396 /nfs/dbraw/zinc/99/23/96/516992396.db2.gz SZDDKJLEGQXGMO-RYUDHWBXSA-N 1 0 352.337 2.964 20 5 FFBDRO COc1ccc(CNC(=O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000537074660 517030607 /nfs/dbraw/zinc/03/06/07/517030607.db2.gz PFPPPHLWAPTFLH-CYBMUJFWSA-N 1 0 373.409 2.579 20 5 FFBDRO CN(C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1C[NH+]2CCC1CC2 ZINC000541425007 517041468 /nfs/dbraw/zinc/04/14/68/517041468.db2.gz IERZFPDKPZYHJO-AWEZNQCLSA-N 1 0 369.874 2.893 20 5 FFBDRO O=C1[C@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000519614215 517078641 /nfs/dbraw/zinc/07/86/41/517078641.db2.gz NOYWZTJZFXHSHI-ZWKOTPCHSA-N 1 0 351.406 2.973 20 5 FFBDRO O=C1[C@@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000519614214 517079692 /nfs/dbraw/zinc/07/96/92/517079692.db2.gz NOYWZTJZFXHSHI-ROUUACIJSA-N 1 0 351.406 2.973 20 5 FFBDRO COC1(CC[N@@H+]2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)CCC1 ZINC000559150698 517101879 /nfs/dbraw/zinc/10/18/79/517101879.db2.gz ZEKMUNDKPMBPSJ-UHFFFAOYSA-N 1 0 373.457 2.942 20 5 FFBDRO O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000555760962 517108081 /nfs/dbraw/zinc/10/80/81/517108081.db2.gz KIKHMKZOODTFCN-GFCCVEGCSA-N 1 0 357.332 2.924 20 5 FFBDRO C[C@](O)(C1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1)C(F)(F)F ZINC000514900375 517113292 /nfs/dbraw/zinc/11/32/92/517113292.db2.gz XWKQIFVTWGUWPQ-HNNXBMFYSA-N 1 0 362.348 2.999 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)c1C ZINC000515100458 517211632 /nfs/dbraw/zinc/21/16/32/517211632.db2.gz WIKCTBIRGHGPAG-ZIAGYGMSSA-N 1 0 369.487 2.753 20 5 FFBDRO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)C1 ZINC000541815862 517229058 /nfs/dbraw/zinc/22/90/58/517229058.db2.gz BPJRFMLLNTZBEK-HNNXBMFYSA-N 1 0 369.487 2.564 20 5 FFBDRO COc1ccc(NC(=O)CC[N@H+]2C[C@@H](C)S[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000532969378 517229394 /nfs/dbraw/zinc/22/93/94/517229394.db2.gz COTPVVUQFQRFCR-TXEJJXNPSA-N 1 0 353.444 2.758 20 5 FFBDRO O=C1C[C@@]2(CN1)CCC[N@@H+](Cc1ccc(-c3ccccc3[N+](=O)[O-])o1)C2 ZINC000537615561 517258851 /nfs/dbraw/zinc/25/88/51/517258851.db2.gz YEBSVMGZIFETFK-LJQANCHMSA-N 1 0 355.394 2.957 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC[C@H](c3cccc(F)c3)C2)c1 ZINC000552513152 517291416 /nfs/dbraw/zinc/29/14/16/517291416.db2.gz ILTQCICOILRBLE-MAUKXSAKSA-N 1 0 360.385 2.963 20 5 FFBDRO Cc1ccccc1[C@@H](CO)[NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000541984850 517321118 /nfs/dbraw/zinc/32/11/18/517321118.db2.gz ZMJNIUIFXCFHCE-MRXNPFEDSA-N 1 0 371.393 2.524 20 5 FFBDRO CCN(CCC[NH+](C)C)C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000526067524 517323037 /nfs/dbraw/zinc/32/30/37/517323037.db2.gz NYEZXNNSVHCCLM-UHFFFAOYSA-N 1 0 372.263 2.700 20 5 FFBDRO CCN(CCC[NH+](C)C)C(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000526067397 517323145 /nfs/dbraw/zinc/32/31/45/517323145.db2.gz IBXYIXPDZYRSSX-GFCCVEGCSA-N 1 0 357.838 2.816 20 5 FFBDRO CN(c1ccccc1)c1ccc(C[NH2+]CCN2CCOCC2)cc1[N+](=O)[O-] ZINC000556233739 517328650 /nfs/dbraw/zinc/32/86/50/517328650.db2.gz QIEFHXITOBTBAG-UHFFFAOYSA-N 1 0 370.453 2.785 20 5 FFBDRO C[NH+](C)CCOc1ccc(CCNC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000526096822 517343374 /nfs/dbraw/zinc/34/33/74/517343374.db2.gz PNIZWMRBOCRWNN-UHFFFAOYSA-N 1 0 372.425 2.899 20 5 FFBDRO COc1ccc(NC(=O)NC[C@@H](C)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000542032949 517348102 /nfs/dbraw/zinc/34/81/02/517348102.db2.gz OSAKLLKIMPIZPI-CYBMUJFWSA-N 1 0 350.419 2.847 20 5 FFBDRO CNc1ccc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1[N+](=O)[O-] ZINC000533312689 517400666 /nfs/dbraw/zinc/40/06/66/517400666.db2.gz NQNRUCONUIBKRL-PBHICJAKSA-N 1 0 358.442 2.725 20 5 FFBDRO O=C(C[NH2+]C1(c2ccc(F)cc2)CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000533390542 517438557 /nfs/dbraw/zinc/43/85/57/517438557.db2.gz RJTOVEIKMKXMQC-UHFFFAOYSA-N 1 0 355.369 2.902 20 5 FFBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000556521441 517476363 /nfs/dbraw/zinc/47/63/63/517476363.db2.gz WVKAUKSAYNDZNK-GDBMZVCRSA-N 1 0 361.398 2.536 20 5 FFBDRO C[C@@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)[C@H](c1ccccc1)[NH+](C)C ZINC000546024242 517497622 /nfs/dbraw/zinc/49/76/22/517497622.db2.gz MWFNMQPKDAVYRI-KZULUSFZSA-N 1 0 371.393 2.745 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCC[C@H](C)[NH+]2CCCCC2)c1C ZINC000542317906 517502300 /nfs/dbraw/zinc/50/23/00/517502300.db2.gz PHPQPGYNLUXKPF-AWEZNQCLSA-N 1 0 369.487 2.754 20 5 FFBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000542404966 517542840 /nfs/dbraw/zinc/54/28/40/517542840.db2.gz CQCAWXXSPBUPSW-ZWNOBZJWSA-N 1 0 369.874 2.939 20 5 FFBDRO C[NH+](C)[C@H]1CCc2cc(NC[C@@H](O)COc3cccc([N+](=O)[O-])c3)ccc21 ZINC000563009927 517580989 /nfs/dbraw/zinc/58/09/89/517580989.db2.gz NXEJUAITMCEZGD-XLIONFOSSA-N 1 0 371.437 2.996 20 5 FFBDRO CNc1ccc(C(=O)NCc2ccccc2OCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000521213639 517652177 /nfs/dbraw/zinc/65/21/77/517652177.db2.gz UDNLSUZNFUITQH-UHFFFAOYSA-N 1 0 372.425 2.507 20 5 FFBDRO C[C@H]1CCC[C@@](CNC(=O)NCCc2cccc([N+](=O)[O-])c2)([NH+](C)C)C1 ZINC000533914614 517666021 /nfs/dbraw/zinc/66/60/21/517666021.db2.gz AKSJJWCUDNOUGG-HNAYVOBHSA-N 1 0 362.474 2.947 20 5 FFBDRO C[C@@H](O)C[N@@H+]1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)[C@H](C)C1 ZINC000560275425 517672402 /nfs/dbraw/zinc/67/24/02/517672402.db2.gz VBBOPQKRCZQAKQ-HUUCEWRRSA-N 1 0 359.426 2.742 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)n1 ZINC000553377353 517679193 /nfs/dbraw/zinc/67/91/93/517679193.db2.gz CSZOEIKQVOALSF-OAHLLOKOSA-N 1 0 374.397 2.927 20 5 FFBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000542716194 517701237 /nfs/dbraw/zinc/70/12/37/517701237.db2.gz CSFJDPDBINJOBB-ZDUSSCGKSA-N 1 0 350.394 2.930 20 5 FFBDRO C[NH+]1CCN(c2cccc(-c3noc(-c4ccc([N+](=O)[O-])s4)n3)n2)CC1 ZINC000546544457 517718569 /nfs/dbraw/zinc/71/85/69/517718569.db2.gz OCEYDSFQMWDHRP-UHFFFAOYSA-N 1 0 372.410 2.520 20 5 FFBDRO CCN(C(=O)c1[nH]nc(C)c1[N+](=O)[O-])[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000521477127 517747992 /nfs/dbraw/zinc/74/79/92/517747992.db2.gz SDHYWDXZIUJTIZ-HOCLYGCPSA-N 1 0 371.441 2.924 20 5 FFBDRO CCOc1cc(N2CC[NH+](C[C@H]3CCCC[C@@H]3O)CC2)ccc1[N+](=O)[O-] ZINC000563220385 517748055 /nfs/dbraw/zinc/74/80/55/517748055.db2.gz MGUZNOWUPIQAED-QAPCUYQASA-N 1 0 363.458 2.667 20 5 FFBDRO CNC(=O)[C@H](CCSC)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000516597838 517760628 /nfs/dbraw/zinc/76/06/28/517760628.db2.gz HIXRKAWQWUOOIB-AWEZNQCLSA-N 1 0 363.439 2.812 20 5 FFBDRO COc1cc(CN2CC[C@@H](C[N@H+](C)CC3CC3)C2)c([N+](=O)[O-])cc1OC ZINC000538749776 517764025 /nfs/dbraw/zinc/76/40/25/517764025.db2.gz GBGFXWLJHBIFHZ-HNNXBMFYSA-N 1 0 363.458 2.776 20 5 FFBDRO CC[N@H+](C)Cc1cccc(CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)c1 ZINC000521587562 517788108 /nfs/dbraw/zinc/78/81/08/517788108.db2.gz FSJNPZORUSAXSI-UHFFFAOYSA-N 1 0 371.393 2.705 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])c(N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)n1 ZINC000542865474 517788662 /nfs/dbraw/zinc/78/86/62/517788662.db2.gz ICQMSEWEQUFNEW-QZTJIDSGSA-N 1 0 370.453 2.902 20 5 FFBDRO O=C(Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1)c1ccc([N+](=O)[O-])cc1F ZINC000557024156 517809859 /nfs/dbraw/zinc/80/98/59/517809859.db2.gz QOOAHVUIHKBLIL-HNNXBMFYSA-N 1 0 359.357 2.553 20 5 FFBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000534268731 517815842 /nfs/dbraw/zinc/81/58/42/517815842.db2.gz MYKKGPSSHGIMBC-ZDUSSCGKSA-N 1 0 367.471 2.547 20 5 FFBDRO CSC1(CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC[NH+](C)CC1 ZINC000521946287 517912574 /nfs/dbraw/zinc/91/25/74/517912574.db2.gz HFHRKNZRSLEYBU-UHFFFAOYSA-N 1 0 374.466 2.700 20 5 FFBDRO CC[NH+](CC)[C@@H](C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000560616456 517932927 /nfs/dbraw/zinc/93/29/27/517932927.db2.gz YEOPZGSIPFOHLD-QGZVFWFLSA-N 1 0 367.409 2.915 20 5 FFBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000522200996 518029895 /nfs/dbraw/zinc/02/98/95/518029895.db2.gz BBJGUZMIHRNKMQ-OLZOCXBDSA-N 1 0 369.849 2.862 20 5 FFBDRO C[C@@H]1C[C@@H](CC[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000517129750 518035561 /nfs/dbraw/zinc/03/55/61/518035561.db2.gz PDFLXQPMLPGMAD-QKPAOTATSA-N 1 0 352.431 2.518 20 5 FFBDRO CC1=CC[N@H+](CCNC(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000547274866 518049120 /nfs/dbraw/zinc/04/91/20/518049120.db2.gz GDRDUBUHGMPWAU-UHFFFAOYSA-N 1 0 368.231 2.739 20 5 FFBDRO CCN1CCN(C(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000557525119 518054328 /nfs/dbraw/zinc/05/43/28/518054328.db2.gz CZTRGRHMZVGDCT-MRXNPFEDSA-N 1 0 374.485 2.997 20 5 FFBDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)c3c([N+](=O)[O-])cccc3C(F)(F)F)C2)C1 ZINC000563733603 518097160 /nfs/dbraw/zinc/09/71/60/518097160.db2.gz ODVIAVSIKKVCGB-OAHLLOKOSA-N 1 0 357.332 2.781 20 5 FFBDRO COc1ccc(OCC[N@@H+]2CC[C@@H](C(C)(C)C)[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000543476706 518112137 /nfs/dbraw/zinc/11/21/37/518112137.db2.gz TZXHBOVOQKCFPL-ZBFHGGJFSA-N 1 0 352.431 2.711 20 5 FFBDRO COc1ccc(OCC[N@@H+]2CC[C@@H](C(C)(C)C)[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000543476703 518112184 /nfs/dbraw/zinc/11/21/84/518112184.db2.gz TZXHBOVOQKCFPL-GDBMZVCRSA-N 1 0 352.431 2.711 20 5 FFBDRO COc1ccc(-c2ccc(C[NH2+][C@H]3CCCN(C)C3=O)o2)c([N+](=O)[O-])c1 ZINC000531121874 518144588 /nfs/dbraw/zinc/14/45/88/518144588.db2.gz VQAQZSSZRAJLJQ-HNNXBMFYSA-N 1 0 359.382 2.574 20 5 FFBDRO C[C@H](CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[N@@H+]1CCCC[C@@H]1C ZINC000535371127 518177018 /nfs/dbraw/zinc/17/70/18/518177018.db2.gz FEGMICBIGZKLSS-UONOGXRCSA-N 1 0 358.442 2.998 20 5 FFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)c1 ZINC000575368858 518205808 /nfs/dbraw/zinc/20/58/08/518205808.db2.gz WKFYGRWPJYVDAR-QUCCMNQESA-N 1 0 355.438 2.567 20 5 FFBDRO CC(C)[N@@H+]1CC[C@H](CNc2cc(CN3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000584331053 518284522 /nfs/dbraw/zinc/28/45/22/518284522.db2.gz AOTCZYHJOLPYCO-QGZVFWFLSA-N 1 0 362.474 2.569 20 5 FFBDRO CCOC(=O)c1ccnc(N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000581455830 518291775 /nfs/dbraw/zinc/29/17/75/518291775.db2.gz BJNYQAMCCALFRC-MELADBBJSA-N 1 0 364.446 2.945 20 5 FFBDRO COc1ccc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c(C)c1OC ZINC000581515809 518323878 /nfs/dbraw/zinc/32/38/78/518323878.db2.gz JVGYMSPZFBGFOG-UHFFFAOYSA-N 1 0 360.414 2.954 20 5 FFBDRO C[C@H](C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)Oc1ccccc1F ZINC000575917392 518342879 /nfs/dbraw/zinc/34/28/79/518342879.db2.gz XGBTYMVVLOIEDL-UKRRQHHQSA-N 1 0 364.373 2.531 20 5 FFBDRO Cc1cccc(O[C@H](C)C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000575981315 518371145 /nfs/dbraw/zinc/37/11/45/518371145.db2.gz GJJNSDFJMJQMTG-NVXWUHKLSA-N 1 0 360.410 2.700 20 5 FFBDRO Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000567192392 518398489 /nfs/dbraw/zinc/39/84/89/518398489.db2.gz RXOHCRZJTNYTRY-UHFFFAOYSA-N 1 0 358.446 2.701 20 5 FFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000572869309 518400481 /nfs/dbraw/zinc/40/04/81/518400481.db2.gz KDORIRHSYFCKSU-WCQYABFASA-N 1 0 372.450 2.925 20 5 FFBDRO CC[N@@H+]1C[C@H](C)N(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@@H]1C ZINC000567207132 518405439 /nfs/dbraw/zinc/40/54/39/518405439.db2.gz GWXOAQIESFZKPX-KBPBESRZSA-N 1 0 373.457 2.743 20 5 FFBDRO O=C(CN1CCCC[C@H]1[C@H]1CCC[NH2+]1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000581716661 518421689 /nfs/dbraw/zinc/42/16/89/518421689.db2.gz MQEHIZISTJXEDC-HIFRSBDPSA-N 1 0 366.849 2.793 20 5 FFBDRO COc1ccc(C[NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)c(OC)n1 ZINC000564428062 518448400 /nfs/dbraw/zinc/44/84/00/518448400.db2.gz OTYQPHGRHLMIAJ-LBPRGKRZSA-N 1 0 374.397 2.514 20 5 FFBDRO CCCC[N@H+](C)CCNc1ccc([N+](=O)[O-])c(N2CCOCC2)c1F ZINC000567366550 518488481 /nfs/dbraw/zinc/48/84/81/518488481.db2.gz BQZZOXBOBXYIBL-UHFFFAOYSA-N 1 0 354.426 2.714 20 5 FFBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)NCCC[NH2+]C3CC3)cc2[N+](=O)[O-])C1 ZINC000573093277 518504706 /nfs/dbraw/zinc/50/47/06/518504706.db2.gz LEZFGUMEPRILLE-GASCZTMLSA-N 1 0 374.485 2.949 20 5 FFBDRO O=C1[C@H]([NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)CCCN1c1ccccc1 ZINC000570261791 518521500 /nfs/dbraw/zinc/52/15/00/518521500.db2.gz XBGCOVOGOROYHU-QGZVFWFLSA-N 1 0 369.425 2.624 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000567541549 518575632 /nfs/dbraw/zinc/57/56/32/518575632.db2.gz FDDPGRFOINMXNQ-WBVHZDCISA-N 1 0 360.385 2.963 20 5 FFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]Cc1ccc2cnn(C)c2c1 ZINC000582096438 518585525 /nfs/dbraw/zinc/58/55/25/518585525.db2.gz XCWSGNLPBACTJC-ZDUSSCGKSA-N 1 0 367.409 2.988 20 5 FFBDRO C[N@@H+]1CC[C@H]2OCCN(c3ccc([N+](=O)[O-])c(-c4ccc(F)cc4)n3)[C@@H]2C1 ZINC000585783609 518596049 /nfs/dbraw/zinc/59/60/49/518596049.db2.gz KQEBSEGZCLRTHT-IAGOWNOFSA-N 1 0 372.400 2.705 20 5 FFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]C2CCN(c3ccccn3)CC2)n1 ZINC000585794122 518602245 /nfs/dbraw/zinc/60/22/45/518602245.db2.gz FTMDPYXHQXSCMY-IRXDYDNUSA-N 1 0 370.457 2.929 20 5 FFBDRO CC(C)[N@H+](C)CCCNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000570479337 518626396 /nfs/dbraw/zinc/62/63/96/518626396.db2.gz GLEGKGSTZQVCMD-UHFFFAOYSA-N 1 0 357.838 2.864 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](O)COc1ccccc1Cl ZINC000564843844 518647035 /nfs/dbraw/zinc/64/70/35/518647035.db2.gz FYZANRCFZFROCG-AWEZNQCLSA-N 1 0 366.801 2.786 20 5 FFBDRO O=c1[nH]c(N2CCC([NH+]3CCCCC3)CC2)nc2ccc([N+](=O)[O-])cc12 ZINC000587325800 518678697 /nfs/dbraw/zinc/67/86/97/518678697.db2.gz YTBXJPWKYVZFQA-UHFFFAOYSA-N 1 0 357.414 2.698 20 5 FFBDRO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000588023659 518704705 /nfs/dbraw/zinc/70/47/05/518704705.db2.gz UCTYLORSMAGPHS-LJQANCHMSA-N 1 0 359.401 2.807 20 5 FFBDRO C[C@H](Nc1ccc(C(=O)NCC2([NH3+])CCC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000582358632 518715364 /nfs/dbraw/zinc/71/53/64/518715364.db2.gz HJJBFKHFORVKSG-ZDUSSCGKSA-N 1 0 369.425 2.774 20 5 FFBDRO O=C(C[N@@H+]1CCSC2(CCC2)CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000570661408 518717986 /nfs/dbraw/zinc/71/79/86/518717986.db2.gz OWWVKJJLIIHNFB-UHFFFAOYSA-N 1 0 361.467 2.846 20 5 FFBDRO CC[C@@H](C)[NH+]1CCN(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000570680982 518729140 /nfs/dbraw/zinc/72/91/40/518729140.db2.gz QHXQFFWIIJMJLE-CQSZACIVSA-N 1 0 373.457 2.744 20 5 FFBDRO C[C@H]1CN(c2ccc(C[NH2+][C@H]3CCc4c3cccc4[N+](=O)[O-])cn2)CCO1 ZINC000579610772 518765443 /nfs/dbraw/zinc/76/54/43/518765443.db2.gz CLICMPPTHNJVNX-KSSFIOAISA-N 1 0 368.437 2.992 20 5 FFBDRO C[C@@H]1C[C@@H](NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)CC[NH2+]1 ZINC000582485750 518778206 /nfs/dbraw/zinc/77/82/06/518778206.db2.gz GPICAODXZSHCNP-MFKMUULPSA-N 1 0 371.387 2.830 20 5 FFBDRO CN(Cc1ncc[nH]1)c1ccc(I)cc1[N+](=O)[O-] ZINC000570818892 518796576 /nfs/dbraw/zinc/79/65/76/518796576.db2.gz GUDYLNVZBWSEPS-UHFFFAOYSA-N 1 0 358.139 2.559 20 5 FFBDRO CS(=O)(=O)Cc1ccccc1C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000565214211 518847139 /nfs/dbraw/zinc/84/71/39/518847139.db2.gz CRLIXRUIDKVOIF-KRWDZBQOSA-N 1 0 360.435 2.917 20 5 FFBDRO C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(F)c2ccccc21 ZINC000588972895 518885690 /nfs/dbraw/zinc/88/56/90/518885690.db2.gz QZAIUWIGCWKYEA-JSGCOSHPSA-N 1 0 358.373 2.795 20 5 FFBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000579849774 518886556 /nfs/dbraw/zinc/88/65/56/518886556.db2.gz AWSGGHJYVXLCKD-GOSISDBHSA-N 1 0 353.422 2.776 20 5 FFBDRO Cc1c(NC(=O)CCN2Cc3ccccc3NC(=O)C2)cccc1[N+](=O)[O-] ZINC000579849844 518887064 /nfs/dbraw/zinc/88/70/64/518887064.db2.gz DJUHCLMVLYSSGC-UHFFFAOYSA-N 1 0 368.393 2.686 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000568150517 518896841 /nfs/dbraw/zinc/89/68/41/518896841.db2.gz KUWFAACXARVAMK-ZBFVHZJFSA-N 1 0 367.833 2.745 20 5 FFBDRO CCC[C@@H]1C[NH2+]CCN1C(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000571047527 518903525 /nfs/dbraw/zinc/90/35/25/518903525.db2.gz BREZUCBQEJYMAC-WCQYABFASA-N 1 0 355.822 2.616 20 5 FFBDRO Cc1ccc2c(CC[NH2+]C[C@H](O)COc3cccc([N+](=O)[O-])c3)c[nH]c2c1 ZINC000571074133 518913693 /nfs/dbraw/zinc/91/36/93/518913693.db2.gz IJDOBKGYYVKSHF-KRWDZBQOSA-N 1 0 369.421 2.957 20 5 FFBDRO COc1cc(C[NH2+]C[C@H](CO)c2ccccc2Cl)c([N+](=O)[O-])cc1O ZINC000565443658 518958408 /nfs/dbraw/zinc/95/84/08/518958408.db2.gz MFNYRADWPCBFCA-GFCCVEGCSA-N 1 0 366.801 2.828 20 5 FFBDRO CO[C@H](C)CC[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000589311577 518978367 /nfs/dbraw/zinc/97/83/67/518978367.db2.gz NPWVHIRXNRNHOL-SECBINFHSA-N 1 0 364.183 2.714 20 5 FFBDRO C[NH+](C)CCc1ccc(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)cc1 ZINC000580092885 519004706 /nfs/dbraw/zinc/00/47/06/519004706.db2.gz SQDJXSSGLQNUDE-UHFFFAOYSA-N 1 0 357.410 2.508 20 5 FFBDRO C[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1nc2ccccc2[nH]1 ZINC000574193084 519034202 /nfs/dbraw/zinc/03/42/02/519034202.db2.gz PNLVQJYHZZCPGO-STQMWFEESA-N 1 0 356.382 2.562 20 5 FFBDRO C[C@@H](Cc1c(Cl)cccc1Cl)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000583020285 519037623 /nfs/dbraw/zinc/03/76/23/519037623.db2.gz SOMNBSDHJQKLOV-JQWIXIFHSA-N 1 0 373.240 2.680 20 5 FFBDRO COC(=O)c1cccc(C[NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000571328630 519041032 /nfs/dbraw/zinc/04/10/32/519041032.db2.gz OYZDQQUIGOBXQZ-CYBMUJFWSA-N 1 0 371.393 2.888 20 5 FFBDRO CC(C)OCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])c(OC(C)C)n2)CC1 ZINC000574290619 519083884 /nfs/dbraw/zinc/08/38/84/519083884.db2.gz MWJZHFMWZPSYLK-UHFFFAOYSA-N 1 0 366.462 2.500 20 5 FFBDRO CCC(CC)(CNC(=O)c1c[nH]nc1[N+](=O)[O-])[NH2+][C@@H](C)c1ccccc1 ZINC000580297114 519105156 /nfs/dbraw/zinc/10/51/56/519105156.db2.gz KNEOALYJRHQSAZ-ZDUSSCGKSA-N 1 0 359.430 2.957 20 5 FFBDRO CC(C)(C(=O)N1CCN(c2cc[nH+]cc2)CC1)c1ccccc1[N+](=O)[O-] ZINC000590032598 519132821 /nfs/dbraw/zinc/13/28/21/519132821.db2.gz BZUWUMXNGYOYJJ-UHFFFAOYSA-N 1 0 354.410 2.616 20 5 FFBDRO COC(=O)[C@H](C)Oc1ccc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])cc1 ZINC000583290436 519170002 /nfs/dbraw/zinc/17/00/02/519170002.db2.gz WETPNZRTSOMYOH-AWEZNQCLSA-N 1 0 373.409 2.500 20 5 FFBDRO CN(CCC[N@H+](C)Cc1ccncc1)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000577662798 519191354 /nfs/dbraw/zinc/19/13/54/519191354.db2.gz VXOROTZCSDCYAW-UHFFFAOYSA-N 1 0 370.453 2.903 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N3CC[C@@H]([NH3+])C[C@H]3C)cc2[N+](=O)[O-])C1 ZINC000574615865 519242885 /nfs/dbraw/zinc/24/28/85/519242885.db2.gz CCRWVFPUHRYLQS-IIAWOOMASA-N 1 0 360.458 2.783 20 5 FFBDRO C[C@H]1COCC[N@@H+]1C1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000590556007 519264242 /nfs/dbraw/zinc/26/42/42/519264242.db2.gz WILITNIINYTQKL-LBPRGKRZSA-N 1 0 367.833 2.574 20 5 FFBDRO COC(=O)c1ccnc(NC2CC[NH+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000590569393 519270577 /nfs/dbraw/zinc/27/05/77/519270577.db2.gz NBXIMYNDISGNSX-UHFFFAOYSA-N 1 0 370.409 2.853 20 5 FFBDRO COC(=O)c1c(Cl)c(N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)ccc1[N+](=O)[O-] ZINC000590581007 519273756 /nfs/dbraw/zinc/27/37/56/519273756.db2.gz GJPQAKNCGDGIEW-RYUDHWBXSA-N 1 0 367.833 2.955 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H](c2ccccn2)C1 ZINC000590599093 519283932 /nfs/dbraw/zinc/28/39/32/519283932.db2.gz AAJCNIQSDXBRAU-JKSUJKDBSA-N 1 0 357.410 2.609 20 5 FFBDRO CCN(CC)c1ccc(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])cn1 ZINC000566105415 519301816 /nfs/dbraw/zinc/30/18/16/519301816.db2.gz IVNLWWJRPYLCPY-UHFFFAOYSA-N 1 0 371.441 2.954 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@@H]1CSc2ccccc21 ZINC000566120219 519315357 /nfs/dbraw/zinc/31/53/57/519315357.db2.gz MXHOPSRWZMDNOV-ZIAGYGMSSA-N 1 0 360.435 2.814 20 5 FFBDRO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@@H+](C[C@H]4CCCC[C@@H]4O)CC3)nc2c1 ZINC000577956280 519340385 /nfs/dbraw/zinc/34/03/85/519340385.db2.gz XOJBFEKOJQWGHE-KDOFPFPSSA-N 1 0 373.457 2.534 20 5 FFBDRO CCN1CC[NH+](C[C@H](C)CNc2nc3c(cc2[N+](=O)[O-])CCCC3)CC1 ZINC000580771130 519350496 /nfs/dbraw/zinc/35/04/96/519350496.db2.gz XDQOTUGJFYPYIL-OAHLLOKOSA-N 1 0 361.490 2.554 20 5 FFBDRO C[C@H]1CN(C(=O)c2cc(F)cc3c2[nH]c2ccc(F)cc2c3=O)CC[C@@H]1[NH3+] ZINC000566201294 519366052 /nfs/dbraw/zinc/36/60/52/519366052.db2.gz OLYXLBQJSJJVAZ-QFYYESIMSA-N 1 0 371.387 2.769 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CCC2Cc3ccccc3C2)c1 ZINC000578006611 519367166 /nfs/dbraw/zinc/36/71/66/519367166.db2.gz MVCARFFNJHITLG-IBGZPJMESA-N 1 0 356.422 2.729 20 5 FFBDRO CCc1cccc(OC[C@H](O)C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC)c1 ZINC000580887848 519410397 /nfs/dbraw/zinc/41/03/97/519410397.db2.gz RIKJUXJRMYTCJR-QGZVFWFLSA-N 1 0 360.410 2.695 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CC[C@H]1CCc2ccccc2N1 ZINC000583748316 519413584 /nfs/dbraw/zinc/41/35/84/519413584.db2.gz YNTGDZFQIYIXAG-IAGOWNOFSA-N 1 0 371.437 2.741 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+](C)CCCOC(C)C ZINC000569175566 519414722 /nfs/dbraw/zinc/41/47/22/519414722.db2.gz PKWKGRLQBQKIFU-ZDUSSCGKSA-N 1 0 353.419 2.677 20 5 FFBDRO CC(C)[N@H+](C)CC1CCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000574975309 519433289 /nfs/dbraw/zinc/43/32/89/519433289.db2.gz KIFKGJUYRBHQBC-UHFFFAOYSA-N 1 0 369.412 2.994 20 5 FFBDRO C[C@H](Nc1ccc(C(=O)N2CC[C@H]([NH3+])[C@@H]2C)cc1[N+](=O)[O-])c1ccccn1 ZINC000572120267 519455197 /nfs/dbraw/zinc/45/51/97/519455197.db2.gz NYUMPVFDXAWJEI-YDHLFZDLSA-N 1 0 369.425 2.725 20 5 FFBDRO O=[N+]([O-])c1ccc2ccnc(N3CCC[N@H+](C[C@@H]4CCCO4)CC3)c2c1 ZINC000591138806 519527296 /nfs/dbraw/zinc/52/72/96/519527296.db2.gz ZZPLCEQKKJPYEA-KRWDZBQOSA-N 1 0 356.426 2.834 20 5 FFBDRO O=[N+]([O-])c1cnc(NC2CC[NH+]([C@H]3CCOC3)CC2)c(C(F)(F)F)c1 ZINC000591150684 519531365 /nfs/dbraw/zinc/53/13/65/519531365.db2.gz MQDSMDLKHPFBOT-NSHDSACASA-N 1 0 360.336 2.674 20 5 FFBDRO CCOc1ccc(C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)cc1[N+](=O)[O-] ZINC000566562486 519552144 /nfs/dbraw/zinc/55/21/44/519552144.db2.gz ODZHDCDNNNDVAH-UHFFFAOYSA-N 1 0 373.453 2.877 20 5 FFBDRO O=C(Nc1cnc2c(c1)C[NH2+]CC2)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000591310739 519585708 /nfs/dbraw/zinc/58/57/08/519585708.db2.gz HGJXXEFIXHGRPD-UHFFFAOYSA-N 1 0 367.409 2.832 20 5 FFBDRO CC[C@H]1CN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC[C@H]1[NH3+] ZINC000591357235 519607205 /nfs/dbraw/zinc/60/72/05/519607205.db2.gz SKRVYOLPKSWBFH-SMDDNHRTSA-N 1 0 374.363 2.882 20 5 FFBDRO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000591359675 519608876 /nfs/dbraw/zinc/60/88/76/519608876.db2.gz JDMGEIMDMZBKJB-PMRDEQMMSA-N 1 0 358.442 2.767 20 5 FFBDRO CC[NH+]1CCC(CNC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000566700292 519615934 /nfs/dbraw/zinc/61/59/34/519615934.db2.gz ADTXCWOCKHNCIU-UHFFFAOYSA-N 1 0 373.457 2.650 20 5 FFBDRO O=[N+]([O-])c1cnc(N2CCC([C@@H]3CC[NH2+]C3)CC2)c(Br)c1 ZINC000591442881 519626454 /nfs/dbraw/zinc/62/64/54/519626454.db2.gz GHEYADMUIYXULM-LLVKDONJSA-N 1 0 355.236 2.578 20 5 FFBDRO Cn1cc(C[NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)c([N+](=O)[O-])n1 ZINC000602918644 519971856 /nfs/dbraw/zinc/97/18/56/519971856.db2.gz WLZABMVDUGQRFB-KGLIPLIRSA-N 1 0 354.769 2.741 20 5 FFBDRO CCN(C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000599985838 519985135 /nfs/dbraw/zinc/98/51/35/519985135.db2.gz LEQREGQAWKOXFC-UHFFFAOYSA-N 1 0 360.458 2.751 20 5 FFBDRO C[C@H]1CCCN(c2ccc(C(=O)NC[C@H]3CCCC[NH2+]3)cc2[N+](=O)[O-])C1 ZINC000591677934 519994890 /nfs/dbraw/zinc/99/48/90/519994890.db2.gz ZJUZGAFWIMBLBJ-GOEBONIOSA-N 1 0 360.458 2.703 20 5 FFBDRO CC(C)[C@@](C)(C[NH3+])NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000591676428 519995169 /nfs/dbraw/zinc/99/51/69/519995169.db2.gz RXOOZESAGFIMFJ-CQSZACIVSA-N 1 0 363.336 2.639 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C1CC1)C1CC[NH2+]CC1 ZINC000591680732 519996050 /nfs/dbraw/zinc/99/60/50/519996050.db2.gz CSHYWMOQYKTNAC-LLVKDONJSA-N 1 0 367.833 2.759 20 5 FFBDRO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N(C1CC1)C1CC[NH2+]CC1 ZINC000591681083 519997270 /nfs/dbraw/zinc/99/72/70/519997270.db2.gz QTSQISVVNDVDFV-UHFFFAOYSA-N 1 0 368.231 2.714 20 5 FFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CCCN2CCCC[C@H]12 ZINC000594517959 520012695 /nfs/dbraw/zinc/01/26/95/520012695.db2.gz FFJYSNMECBNILU-FHLIZLRMSA-N 1 0 360.458 2.918 20 5 FFBDRO COc1ccccc1C(C)(C)C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000591728196 520014362 /nfs/dbraw/zinc/01/43/62/520014362.db2.gz QIRYJYNEUVCPLE-HNNXBMFYSA-N 1 0 374.437 2.911 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@@H]2CCc3ccccc3C2)c1 ZINC000591741456 520017566 /nfs/dbraw/zinc/01/75/66/520017566.db2.gz MCSBZCQAOSPELV-BEFAXECRSA-N 1 0 356.422 2.729 20 5 FFBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H]2CCCN3CCCC[C@H]23)cccc1[N+](=O)[O-] ZINC000594551508 520023062 /nfs/dbraw/zinc/02/30/62/520023062.db2.gz FLTBQCAUUYHFLJ-YXJHDRRASA-N 1 0 360.458 2.837 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCO[C@H](c2ccccc2)C1 ZINC000591760888 520026285 /nfs/dbraw/zinc/02/62/85/520026285.db2.gz QQTDAFMPPWIZCE-HLIPFELVSA-N 1 0 372.421 2.844 20 5 FFBDRO Cn1cc(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000608836182 520139596 /nfs/dbraw/zinc/13/95/96/520139596.db2.gz NDFQMCOSAKMQIW-SJLPKXTDSA-N 1 0 355.442 2.712 20 5 FFBDRO O=C(CCOc1ccccc1[N+](=O)[O-])NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000600227767 520141010 /nfs/dbraw/zinc/14/10/10/520141010.db2.gz GBOLPAFDAJEUHA-MRXNPFEDSA-N 1 0 361.442 2.887 20 5 FFBDRO C[N@@H+]1CCCN(CCCNc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000608855976 520145342 /nfs/dbraw/zinc/14/53/42/520145342.db2.gz BBNLZWGUVRZUIP-UHFFFAOYSA-N 1 0 371.279 2.797 20 5 FFBDRO Cc1cc(C)c(S(=O)(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000594788154 520158333 /nfs/dbraw/zinc/15/83/33/520158333.db2.gz FXZXZFUEDSXCDX-AWEZNQCLSA-N 1 0 369.487 2.610 20 5 FFBDRO CC(C)[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000600252565 520159303 /nfs/dbraw/zinc/15/93/03/520159303.db2.gz JXSDGOWMIRRWRH-QGZVFWFLSA-N 1 0 356.426 2.906 20 5 FFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1Cn1cc(C[C@@H]2CCC[NH2+]C2)nn1 ZINC000603213804 520162783 /nfs/dbraw/zinc/16/27/83/520162783.db2.gz CGWBLSKFCICVMN-AWEZNQCLSA-N 1 0 359.430 2.564 20 5 FFBDRO Cc1sc(S(=O)(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000594854473 520190325 /nfs/dbraw/zinc/19/03/25/520190325.db2.gz LWYJAGGPOPMPFH-LBPRGKRZSA-N 1 0 373.500 2.650 20 5 FFBDRO C[N@@H+]1CCCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000600312018 520198670 /nfs/dbraw/zinc/19/86/70/520198670.db2.gz DHUDJKJBYLLUHR-NSHDSACASA-N 1 0 357.357 2.658 20 5 FFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCC1(CS(C)(=O)=O)CC1 ZINC000594953455 520229074 /nfs/dbraw/zinc/22/90/74/520229074.db2.gz SWFBRHNJAAHCQM-GXDHUFHOSA-N 1 0 352.456 2.803 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC1(S(C)(=O)=O)CCCCC1 ZINC000594974669 520235562 /nfs/dbraw/zinc/23/55/62/520235562.db2.gz DXCFGOOFBZRZHD-UHFFFAOYSA-N 1 0 370.471 2.831 20 5 FFBDRO O=[N+]([O-])c1ccc(CNCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)c(F)c1 ZINC000594975856 520237501 /nfs/dbraw/zinc/23/75/01/520237501.db2.gz VZOQVDXGURLHRT-GOSISDBHSA-N 1 0 359.401 2.590 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000595003045 520250980 /nfs/dbraw/zinc/25/09/80/520250980.db2.gz BMEQGJBVWQLXHP-ZNMIVQPWSA-N 1 0 351.447 2.753 20 5 FFBDRO CN(CCCC[NH+]1CCCCC1)C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000603405598 520251607 /nfs/dbraw/zinc/25/16/07/520251607.db2.gz BHBSIYRHYVWEDL-UHFFFAOYSA-N 1 0 352.410 2.654 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000595046183 520268686 /nfs/dbraw/zinc/26/86/86/520268686.db2.gz JFZNARZLZMBORL-APIJFGDWSA-N 1 0 351.447 2.752 20 5 FFBDRO C[C@@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)C1CC[NH+](C)CC1 ZINC000613021538 520275534 /nfs/dbraw/zinc/27/55/34/520275534.db2.gz DVFPYKMXAPTHKV-GFCCVEGCSA-N 1 0 351.422 2.858 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC000597853487 520282766 /nfs/dbraw/zinc/28/27/66/520282766.db2.gz AZPBODXGORVEGY-HNNXBMFYSA-N 1 0 363.458 2.909 20 5 FFBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592256288 520294220 /nfs/dbraw/zinc/29/42/20/520294220.db2.gz XADPZTVNIPNRBJ-JKSUJKDBSA-N 1 0 360.458 2.635 20 5 FFBDRO CCOc1ccc([C@@H](C)[NH2+]CC2(S(=O)(=O)CC)CC2)cc1[N+](=O)[O-] ZINC000595105147 520296430 /nfs/dbraw/zinc/29/64/30/520296430.db2.gz QPEFGKKYWYCJIR-GFCCVEGCSA-N 1 0 356.444 2.611 20 5 FFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CN(Cc3ccccc3)CC[C@H]2CO)cc1 ZINC000613063886 520297173 /nfs/dbraw/zinc/29/71/73/520297173.db2.gz GOGMRHIJWURMHK-FPOVZHCZSA-N 1 0 369.465 2.610 20 5 FFBDRO COc1ccc(C[NH+](C)C)cc1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000603589987 520317584 /nfs/dbraw/zinc/31/75/84/520317584.db2.gz ZNRRWBRHQGALDA-UHFFFAOYSA-N 1 0 359.382 2.683 20 5 FFBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1OC ZINC000597922529 520324853 /nfs/dbraw/zinc/32/48/53/520324853.db2.gz FQCPGQCPJKYOHV-GFCCVEGCSA-N 1 0 365.430 2.605 20 5 FFBDRO CCN(C(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1)[C@H]1CC[N@H+](C)C1 ZINC000597944073 520343194 /nfs/dbraw/zinc/34/31/94/520343194.db2.gz BXIXLWMPDLXIKQ-RDJZCZTQSA-N 1 0 374.485 2.997 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000595223192 520357391 /nfs/dbraw/zinc/35/73/91/520357391.db2.gz RDWBUMTXOLPHEE-HNNXBMFYSA-N 1 0 368.437 2.995 20 5 FFBDRO [NH3+]C[C@@H]1CCCc2ccc(C(=O)NCCc3ccc([N+](=O)[O-])cc3)cc21 ZINC000595247884 520369430 /nfs/dbraw/zinc/36/94/30/520369430.db2.gz BGGLDKKJYPHDQO-KRWDZBQOSA-N 1 0 353.422 2.946 20 5 FFBDRO O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)c1ccccc1[N+](=O)[O-] ZINC000595267558 520380576 /nfs/dbraw/zinc/38/05/76/520380576.db2.gz DWEGOFKAMBUPLJ-MLGOLLRUSA-N 1 0 361.348 2.749 20 5 FFBDRO O=[N+]([O-])c1cc(C[NH2+][C@@]2(CO)CCCN(Cc3ccccc3)C2)cs1 ZINC000609620421 520383641 /nfs/dbraw/zinc/38/36/41/520383641.db2.gz KYVRDPDAGYDLPJ-SFHVURJKSA-N 1 0 361.467 2.773 20 5 FFBDRO CCC1([NH+]2CCOCC2)CCN(C(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000600682899 520394806 /nfs/dbraw/zinc/39/48/06/520394806.db2.gz PLECBENATLDGHG-UHFFFAOYSA-N 1 0 361.442 2.620 20 5 FFBDRO O=C(CN1CCC[C@H]([C@H]2CCC[NH2+]2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000592479183 520407135 /nfs/dbraw/zinc/40/71/35/520407135.db2.gz UEMBSICEWGVHTE-SWLSCSKDSA-N 1 0 366.849 2.651 20 5 FFBDRO C[C@@H](c1ccccc1)[C@@H](CO)[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000609708080 520410983 /nfs/dbraw/zinc/41/09/83/520410983.db2.gz CIYDBIJSENUXIE-SCLBCKFNSA-N 1 0 358.394 2.716 20 5 FFBDRO C[C@@H]1CN(CC[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C[C@@H](C)O1 ZINC000595331952 520412531 /nfs/dbraw/zinc/41/25/31/520412531.db2.gz ZMVOZCSOMPNJSW-HZPDHXFCSA-N 1 0 363.458 2.547 20 5 FFBDRO C[C@@H]1CC[N@H+](C)CCN1C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000609731936 520416620 /nfs/dbraw/zinc/41/66/20/520416620.db2.gz QLADZQFQJRRKLK-GFCCVEGCSA-N 1 0 355.822 2.570 20 5 FFBDRO Cc1ccc(-c2nn(C)cc2CN(CC[NH3+])c2ccccc2[N+](=O)[O-])o1 ZINC000592512307 520431201 /nfs/dbraw/zinc/43/12/01/520431201.db2.gz FWDCVRXTRBMSRG-UHFFFAOYSA-N 1 0 355.398 2.862 20 5 FFBDRO COc1ccc(CNC(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000604105762 520452284 /nfs/dbraw/zinc/45/22/84/520452284.db2.gz XQARYGNLMCUFGU-ZIAGYGMSSA-N 1 0 364.446 2.523 20 5 FFBDRO O=C(N[C@H]1CC[NH2+]C2(CCC2)C1)c1ccc([N+](=O)[O-])cc1Br ZINC000592568924 520458342 /nfs/dbraw/zinc/45/83/42/520458342.db2.gz QQICPJNHALDHGS-JTQLQIEISA-N 1 0 368.231 2.762 20 5 FFBDRO CO[C@H](C[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1)C1CCC1 ZINC000595434169 520467682 /nfs/dbraw/zinc/46/76/82/520467682.db2.gz YYIJFSQWDLHFKG-GOSISDBHSA-N 1 0 373.457 2.798 20 5 FFBDRO Cc1n[nH]c(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000609996195 520499136 /nfs/dbraw/zinc/49/91/36/520499136.db2.gz XPVFFKARRNVCCO-CJNGLKHVSA-N 1 0 371.441 2.751 20 5 FFBDRO CNS(=O)(=O)c1ccc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])cc1 ZINC000595509000 520519849 /nfs/dbraw/zinc/51/98/49/520519849.db2.gz DQHGJEZOBXTEHQ-UHFFFAOYSA-N 1 0 363.439 2.528 20 5 FFBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000595523524 520526693 /nfs/dbraw/zinc/52/66/93/520526693.db2.gz RTOXDOCHIWOZFN-INIZCTEOSA-N 1 0 360.458 2.844 20 5 FFBDRO Cc1ccc(C[NH2+][C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)cc1[N+](=O)[O-] ZINC000610090249 520535421 /nfs/dbraw/zinc/53/54/21/520535421.db2.gz YSFCZMQGCPYWAQ-UXHICEINSA-N 1 0 369.465 2.876 20 5 FFBDRO COc1cccc([C@H](CNC(=O)c2c(F)cccc2[N+](=O)[O-])[NH+](C)C)c1 ZINC000600966843 520562124 /nfs/dbraw/zinc/56/21/24/520562124.db2.gz UMQPTLFUOCHGCS-INIZCTEOSA-N 1 0 361.373 2.775 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000604446363 520565302 /nfs/dbraw/zinc/56/53/02/520565302.db2.gz ZAWOIBHAQGLHCH-UBHSHLNASA-N 1 0 367.833 2.759 20 5 FFBDRO CCC[N@H+](C)CC(C)(C)NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000598466531 520630146 /nfs/dbraw/zinc/63/01/46/520630146.db2.gz OPVQTQDCUVWZMY-UHFFFAOYSA-N 1 0 359.430 2.631 20 5 FFBDRO COc1ccc([C@H](CNc2ncc(F)cc2[N+](=O)[O-])[NH+](C)C)cc1OC ZINC000601100215 520634212 /nfs/dbraw/zinc/63/42/12/520634212.db2.gz NIAMNGSGJIIEKE-AWEZNQCLSA-N 1 0 364.377 2.861 20 5 FFBDRO O=[N+]([O-])c1cc(F)cnc1Sc1nnc(C2CC[NH2+]CC2)n1C1CC1 ZINC000601118975 520644678 /nfs/dbraw/zinc/64/46/78/520644678.db2.gz SOUHAKGFRGYYNZ-UHFFFAOYSA-N 1 0 364.406 2.674 20 5 FFBDRO O=[N+]([O-])c1cc(F)cnc1Sc1nnc([C@H]2CCC[NH2+]C2)n1C1CC1 ZINC000601118351 520645580 /nfs/dbraw/zinc/64/55/80/520645580.db2.gz LBBVSGCKWANLKO-VIFPVBQESA-N 1 0 364.406 2.674 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1Cc2ccccc2[C@@H]1C ZINC000595706745 520665349 /nfs/dbraw/zinc/66/53/49/520665349.db2.gz JWPQSYJYUJLXTH-YVEFUNNKSA-N 1 0 355.394 2.860 20 5 FFBDRO O=C(Cc1ccc(F)cc1[N+](=O)[O-])NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000598508047 520666123 /nfs/dbraw/zinc/66/61/23/520666123.db2.gz BURAJHWHSDWOLL-QGZVFWFLSA-N 1 0 357.385 2.667 20 5 FFBDRO O=C(CCOc1ccccc1[N+](=O)[O-])NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000598508675 520666501 /nfs/dbraw/zinc/66/65/01/520666501.db2.gz HFDUSSPZVHMPSR-QGZVFWFLSA-N 1 0 369.421 2.754 20 5 FFBDRO O=[N+]([O-])c1ccc2nccc(N3CCC([N@@H+]4CCCOCC4)CC3)c2c1 ZINC000601174217 520671775 /nfs/dbraw/zinc/67/17/75/520671775.db2.gz RTSSLJIPVWVZTL-UHFFFAOYSA-N 1 0 356.426 2.834 20 5 FFBDRO O=[N+]([O-])c1ccc2nccc(N3CCC4(CCC4)S(=O)(=O)CC3)c2c1 ZINC000601175994 520672459 /nfs/dbraw/zinc/67/24/59/520672459.db2.gz MQMXKJYOIYFABG-UHFFFAOYSA-N 1 0 361.423 2.691 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)c1 ZINC000593026440 520691601 /nfs/dbraw/zinc/69/16/01/520691601.db2.gz BSAZKDCNKRHAJU-OIISXLGYSA-N 1 0 360.410 2.819 20 5 FFBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000595752087 520700062 /nfs/dbraw/zinc/70/00/62/520700062.db2.gz SCEAAYIRRBNOKB-SGTLLEGYSA-N 1 0 358.398 2.943 20 5 FFBDRO CCOc1ccc(C(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000598560083 520705687 /nfs/dbraw/zinc/70/56/87/520705687.db2.gz KNMRMMQGEJOVHU-OAHLLOKOSA-N 1 0 361.442 2.845 20 5 FFBDRO CC[C@@H]1[C@@H](C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CC[N@@H+]1C ZINC000601258816 520711983 /nfs/dbraw/zinc/71/19/83/520711983.db2.gz OIILETMWOMJRMX-ZWKOTPCHSA-N 1 0 361.442 2.695 20 5 FFBDRO Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)cn1 ZINC000595772435 520712397 /nfs/dbraw/zinc/71/23/97/520712397.db2.gz SSIRWKCVNDLLFC-ZFWWWQNUSA-N 1 0 355.398 2.971 20 5 FFBDRO CC[C@@H]1COC(C)(C)C[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000593056397 520713951 /nfs/dbraw/zinc/71/39/51/520713951.db2.gz HXJLVXPYIQZRIE-CYBMUJFWSA-N 1 0 365.430 2.821 20 5 FFBDRO CC[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)[C@@H](CC)CO1 ZINC000593058087 520715782 /nfs/dbraw/zinc/71/57/82/520715782.db2.gz JAMFXVQJTJECKV-DZGCQCFKSA-N 1 0 365.430 2.821 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(c2ccon2)CC1 ZINC000595827334 520750422 /nfs/dbraw/zinc/75/04/22/520750422.db2.gz COOOPEDLHJWVTC-UHFFFAOYSA-N 1 0 374.397 2.800 20 5 FFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)CC[NH+]1CCCCC1 ZINC000593112938 520754019 /nfs/dbraw/zinc/75/40/19/520754019.db2.gz SHCGAEWPCYAZBC-CYBMUJFWSA-N 1 0 368.865 2.993 20 5 FFBDRO COC(=O)c1cc(C[NH2+]CCc2cccc([N+](=O)[O-])c2)n2c1CCCC2 ZINC000598638523 520754851 /nfs/dbraw/zinc/75/48/51/520754851.db2.gz MSJIIROJOCEKGP-UHFFFAOYSA-N 1 0 357.410 2.852 20 5 FFBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000595900233 520805950 /nfs/dbraw/zinc/80/59/50/520805950.db2.gz BSEHLUNWTJGORF-ZBFHGGJFSA-N 1 0 360.458 2.633 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2noc(CN3CCC([C@@H]4CCC[NH2+]C4)CC3)n2)c1 ZINC000595900848 520806956 /nfs/dbraw/zinc/80/69/56/520806956.db2.gz NFRRBLWOTKJFBV-MRXNPFEDSA-N 1 0 371.441 2.856 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1C[C@@H]([NH3+])CCc2ccccc21 ZINC000595903720 520809125 /nfs/dbraw/zinc/80/91/25/520809125.db2.gz BTDGSPIBMXKQNC-HNNXBMFYSA-N 1 0 354.410 2.622 20 5 FFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCO[C@H](CCC[NH+](C)C)C1 ZINC000595906308 520813722 /nfs/dbraw/zinc/81/37/22/520813722.db2.gz JHDONTGAPABTLQ-GOSISDBHSA-N 1 0 365.474 2.925 20 5 FFBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000601549655 520835221 /nfs/dbraw/zinc/83/52/21/520835221.db2.gz AEYDQPWTRXEGGO-AAEUAGOBSA-N 1 0 369.874 2.941 20 5 FFBDRO COc1cccc(C(=O)N2C[C@H](C[NH+](C)C)Oc3ccccc32)c1[N+](=O)[O-] ZINC000618110470 520886397 /nfs/dbraw/zinc/88/63/97/520886397.db2.gz KLMKKTSGAVHLQC-ZDUSSCGKSA-N 1 0 371.393 2.573 20 5 FFBDRO CN1CCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)[C@@H](c2ccccc2)C1 ZINC000610930366 520908686 /nfs/dbraw/zinc/90/86/86/520908686.db2.gz DQSUPMMCWJQOBH-GOSISDBHSA-N 1 0 369.421 2.855 20 5 FFBDRO C[NH+](C)CCOC1CCN(c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000596125120 520926524 /nfs/dbraw/zinc/92/65/24/520926524.db2.gz LBCBMRTZTPWNJC-UHFFFAOYSA-N 1 0 372.263 2.904 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1c2ccccc2C(=O)N1C ZINC000599000043 520971290 /nfs/dbraw/zinc/97/12/90/520971290.db2.gz RDNAWOWUZJDLDC-QGZVFWFLSA-N 1 0 355.394 2.910 20 5 FFBDRO C[N@@H+]1CCCC[C@H](CNC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000599004902 520974398 /nfs/dbraw/zinc/97/43/98/520974398.db2.gz VFTIQSGBJPZRPC-QGZVFWFLSA-N 1 0 362.474 2.949 20 5 FFBDRO O=[N+]([O-])c1ccc(OCCC[NH2+][C@@H]2CCCC[C@@H]2N2CCOCC2)cc1 ZINC000618308111 520990765 /nfs/dbraw/zinc/99/07/65/520990765.db2.gz SLHAUCBWAHWWBN-MOPGFXCFSA-N 1 0 363.458 2.597 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@H](n2cccn2)C(F)(F)F)n1 ZINC000599055563 521003988 /nfs/dbraw/zinc/00/39/88/521003988.db2.gz HVLPGVYBPRXWGI-UPJWGTAASA-N 1 0 372.351 2.865 20 5 FFBDRO COc1ccc(C[N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cn1 ZINC000611140062 521005595 /nfs/dbraw/zinc/00/55/95/521005595.db2.gz REMRNULWOVUASD-UHFFFAOYSA-N 1 0 358.398 2.767 20 5 FFBDRO COC(=O)c1c(Cl)c(N2CCC[C@H]3C[N@H+](C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000596282310 521007188 /nfs/dbraw/zinc/00/71/88/521007188.db2.gz VFSQXNJGQJMMRE-GXFFZTMASA-N 1 0 353.806 2.565 20 5 FFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CCCN1CC(F)F ZINC000599066149 521010654 /nfs/dbraw/zinc/01/06/54/521010654.db2.gz RJWXALVRZXEBOZ-SWLSCSKDSA-N 1 0 370.400 2.631 20 5 FFBDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1c(Br)cccc1[N+](=O)[O-] ZINC000599081003 521021548 /nfs/dbraw/zinc/02/15/48/521021548.db2.gz RNZFMPSWJROURB-VXGBXAGGSA-N 1 0 368.231 2.714 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CC2(C1)CC(F)(F)C2 ZINC000611180674 521026509 /nfs/dbraw/zinc/02/65/09/521026509.db2.gz OPFFCFQFVVYBNM-UHFFFAOYSA-N 1 0 355.341 2.663 20 5 FFBDRO O=[N+]([O-])c1cnc(N2CCO[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]32)c(F)c1 ZINC000593496997 521033482 /nfs/dbraw/zinc/03/34/82/521033482.db2.gz ZFLWGULRBAOVRR-ROUUACIJSA-N 1 0 372.400 2.609 20 5 FFBDRO O=C(Nc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccccc1[N+](=O)[O-] ZINC000611197574 521034116 /nfs/dbraw/zinc/03/41/16/521034116.db2.gz OQUZINMRPZMFRS-UHFFFAOYSA-N 1 0 355.394 2.804 20 5 FFBDRO C[C@H](CNC(=O)c1c(Br)cccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000599107300 521034934 /nfs/dbraw/zinc/03/49/34/521034934.db2.gz LXGPBAYNWHSXBF-LLVKDONJSA-N 1 0 370.247 2.819 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000601977887 521052783 /nfs/dbraw/zinc/05/27/83/521052783.db2.gz VMRFMXBFHQQXEP-DGCLKSJQSA-N 1 0 369.849 2.910 20 5 FFBDRO CC1([NH+]2CCOCC2)CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000599160640 521063165 /nfs/dbraw/zinc/06/31/65/521063165.db2.gz PTROGLFABFMYGT-UHFFFAOYSA-N 1 0 356.426 2.834 20 5 FFBDRO Cc1cc(NCC(C)(C)C(=O)N2CCCC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000599169870 521069589 /nfs/dbraw/zinc/06/95/89/521069589.db2.gz HOEQJRLZVYFTHJ-UHFFFAOYSA-N 1 0 356.426 2.934 20 5 FFBDRO CCC1([NH+]2CCOCC2)CCN(c2cc(OC)c([N+](=O)[O-])cc2F)CC1 ZINC000599183113 521075789 /nfs/dbraw/zinc/07/57/89/521075789.db2.gz HAWSWEFUPNOFIG-UHFFFAOYSA-N 1 0 367.421 2.824 20 5 FFBDRO C[NH+](C)CCC[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000596496346 521101043 /nfs/dbraw/zinc/10/10/43/521101043.db2.gz CWHUDHMKQKZEJC-CYBMUJFWSA-N 1 0 370.837 2.823 20 5 FFBDRO O=C1[C@H]([N@@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000611350387 521113102 /nfs/dbraw/zinc/11/31/02/521113102.db2.gz KQLVVGCOSPGTFH-TXPKVOOTSA-N 1 0 373.453 2.839 20 5 FFBDRO CN(C)c1nc(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cs1 ZINC000618571601 521130161 /nfs/dbraw/zinc/13/01/61/521130161.db2.gz XAFOTHLUBXBEDR-CHWSQXEVSA-N 1 0 350.448 2.587 20 5 FFBDRO O=[N+]([O-])c1ccc2[nH]c(N3CCC(CCC[NH+]4CCOCC4)CC3)nc2c1 ZINC000618585728 521136505 /nfs/dbraw/zinc/13/65/05/521136505.db2.gz BXJVQBMFAHGTOR-UHFFFAOYSA-N 1 0 373.457 2.800 20 5 FFBDRO CN(CC[NH+]1CCCCC1)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000593701049 521165589 /nfs/dbraw/zinc/16/55/89/521165589.db2.gz CFGUAWWRNJFSNJ-UHFFFAOYSA-N 1 0 357.458 2.913 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@@]2(CO)CCc3ccccc32)n1 ZINC000593716566 521171863 /nfs/dbraw/zinc/17/18/63/521171863.db2.gz SCBGTAGILJHEQT-QWFCFKBJSA-N 1 0 370.453 2.741 20 5 FFBDRO CCC[C@H]([NH2+][C@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000611475341 521175726 /nfs/dbraw/zinc/17/57/26/521175726.db2.gz UCBZIZHFPXWLJQ-BVGQSLNGSA-N 1 0 371.441 2.953 20 5 FFBDRO Cc1ccc(NC(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc1[N+](=O)[O-] ZINC000593758631 521197668 /nfs/dbraw/zinc/19/76/68/521197668.db2.gz MVICZSDRPKYDQR-VBQJREDUSA-N 1 0 362.430 2.653 20 5 FFBDRO [NH3+]CC1(CCNC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000593761520 521199984 /nfs/dbraw/zinc/19/99/84/521199984.db2.gz RIDMXHYSYWKEFX-UHFFFAOYSA-N 1 0 357.208 2.608 20 5 FFBDRO Nc1cc(NC2CC[NH+](Cc3ccccc3)CC2)cc(CO)c1[N+](=O)[O-] ZINC000611525205 521203205 /nfs/dbraw/zinc/20/32/05/521203205.db2.gz MMRAHYQBXYBNTA-UHFFFAOYSA-N 1 0 356.426 2.746 20 5 FFBDRO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000611554934 521217447 /nfs/dbraw/zinc/21/74/47/521217447.db2.gz CJWKJWYKDQNEHI-YRGRVCCFSA-N 1 0 362.348 2.997 20 5 FFBDRO CC1(C)CCC[C@@](O)(C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000614992371 521223594 /nfs/dbraw/zinc/22/35/94/521223594.db2.gz FEYIFDXWZNJMLT-SFHVURJKSA-N 1 0 350.415 2.787 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H](OC(F)F)C1 ZINC000611578016 521232074 /nfs/dbraw/zinc/23/20/74/521232074.db2.gz MLZUPDNHBHTULJ-ZDUSSCGKSA-N 1 0 357.357 2.935 20 5 FFBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000611614715 521249442 /nfs/dbraw/zinc/24/94/42/521249442.db2.gz CLMDHNWBGLIFOZ-NWDGAFQWSA-N 1 0 355.341 2.553 20 5 FFBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC(Cc3nc(C4CCCC4)no3)CC2)c1 ZINC000599508191 521266880 /nfs/dbraw/zinc/26/68/80/521266880.db2.gz PYVQLWMHFZCDQT-UHFFFAOYSA-N 1 0 374.445 2.787 20 5 FFBDRO Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)N(C)CC[C@@H]([NH3+])C(C)C)c1 ZINC000593902633 521284135 /nfs/dbraw/zinc/28/41/35/521284135.db2.gz CYYIHTMONMAEHA-QGZVFWFLSA-N 1 0 373.457 2.593 20 5 FFBDRO C[C@H](CNc1ncnc2ccc([N+](=O)[O-])cc21)[N@@H+]1CCc2sccc2C1 ZINC000611700540 521287395 /nfs/dbraw/zinc/28/73/95/521287395.db2.gz AQPRVUUUVOUMFO-GFCCVEGCSA-N 1 0 369.450 2.880 20 5 FFBDRO C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)[C@@H]1CC[NH3+] ZINC000593914209 521288414 /nfs/dbraw/zinc/28/84/14/521288414.db2.gz AVBKVOYWLZYDOU-QMTHXVAHSA-N 1 0 370.247 2.947 20 5 FFBDRO C[C@H]1CCCN(c2ccc(C(=O)NCCC3(C[NH3+])CC3)cc2[N+](=O)[O-])C1 ZINC000593914373 521289248 /nfs/dbraw/zinc/28/92/48/521289248.db2.gz JHYLYEKQMSHANQ-AWEZNQCLSA-N 1 0 360.458 2.690 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000599552847 521293051 /nfs/dbraw/zinc/29/30/51/521293051.db2.gz JURYIFSFXPEOAC-KGLIPLIRSA-N 1 0 365.455 2.902 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H](c2ccccn2)C2CCC2)c1 ZINC000599569135 521304691 /nfs/dbraw/zinc/30/46/91/521304691.db2.gz LHNJNLVIXDWIPH-VQIMIIECSA-N 1 0 357.410 2.861 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000599584554 521311480 /nfs/dbraw/zinc/31/14/80/521311480.db2.gz ANBBSOMOSIQAFA-MRXNPFEDSA-N 1 0 362.430 2.526 20 5 FFBDRO Cc1cc(NC(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000599609799 521330741 /nfs/dbraw/zinc/33/07/41/521330741.db2.gz ASZDMQVBGARUQJ-CMPLNLGQSA-N 1 0 360.336 2.894 20 5 FFBDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000602436102 521345132 /nfs/dbraw/zinc/34/51/32/521345132.db2.gz WUAVNQIATXCATM-ZJUUUORDSA-N 1 0 356.220 2.557 20 5 FFBDRO C[C@@H]1C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC2(CCCCC2)O1 ZINC000594058296 521378531 /nfs/dbraw/zinc/37/85/31/521378531.db2.gz RLHPVRQWPFRBJT-NVXWUHKLSA-N 1 0 364.442 2.758 20 5 FFBDRO CCC1(N2CCOCC2)CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000599668512 521381286 /nfs/dbraw/zinc/38/12/86/521381286.db2.gz GPVCKCGLGHCVDM-UHFFFAOYSA-N 1 0 363.458 2.550 20 5 FFBDRO COc1ccc(CC[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1 ZINC000602502098 521382697 /nfs/dbraw/zinc/38/26/97/521382697.db2.gz CREGXELRFWSMNQ-UHFFFAOYSA-N 1 0 356.426 2.800 20 5 FFBDRO CCC1([NH+]2CCOCC2)CCN(Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000599669574 521382778 /nfs/dbraw/zinc/38/27/78/521382778.db2.gz OTCUYOGIECFYOC-UHFFFAOYSA-N 1 0 363.458 2.680 20 5 FFBDRO Cc1cc(N2CCN(C(=O)N3CCCC3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000611918484 521392448 /nfs/dbraw/zinc/39/24/48/521392448.db2.gz ZYNGUJMDWWHCQS-UHFFFAOYSA-N 1 0 369.425 2.789 20 5 FFBDRO Cc1ccccc1OCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602518465 521392703 /nfs/dbraw/zinc/39/27/03/521392703.db2.gz NRJKVSALUCHFQE-UHFFFAOYSA-N 1 0 356.426 2.936 20 5 FFBDRO CCC(C)(C)[NH+]1CCN(C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000594079920 521393232 /nfs/dbraw/zinc/39/32/32/521393232.db2.gz CKEOWAYWPRXLAH-UHFFFAOYSA-N 1 0 350.419 2.942 20 5 FFBDRO Cc1noc([C@@H]2OCC[C@@H]2[NH2+]Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)n1 ZINC000599684089 521398470 /nfs/dbraw/zinc/39/84/70/521398470.db2.gz ZUDPUTGIJWCMIQ-QWHCGFSZSA-N 1 0 372.303 2.925 20 5 FFBDRO Cc1nc2n(n1)C[C@H]([NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])CC2 ZINC000602533607 521398719 /nfs/dbraw/zinc/39/87/19/521398719.db2.gz OZYKZSBJCQLIKP-GFCCVEGCSA-N 1 0 355.320 2.618 20 5 FFBDRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2cnccc2C)c([N+](=O)[O-])c1 ZINC000611939529 521401145 /nfs/dbraw/zinc/40/11/45/521401145.db2.gz QNZUTKLTMXITTC-QWHCGFSZSA-N 1 0 358.398 2.985 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000602541835 521401947 /nfs/dbraw/zinc/40/19/47/521401947.db2.gz RCSNQEJLLGRFLX-WCQYABFASA-N 1 0 359.348 2.811 20 5 FFBDRO NC(=O)C1CCC([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602545372 521403968 /nfs/dbraw/zinc/40/39/68/521403968.db2.gz MWOLCTXGSFKSIY-UHFFFAOYSA-N 1 0 362.249 2.553 20 5 FFBDRO CC(C)CC[C@](C)(O)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602554469 521409429 /nfs/dbraw/zinc/40/94/29/521409429.db2.gz AOBIXUSWWZWKAE-SFHVURJKSA-N 1 0 350.463 2.735 20 5 FFBDRO CCNC(=O)N1CC[C@H]([NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602570638 521415284 /nfs/dbraw/zinc/41/52/84/521415284.db2.gz USPMARRVTXODFX-LBPRGKRZSA-N 1 0 360.336 2.507 20 5 FFBDRO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CC[C@@H](Cc3ccncc3)C1)OCCO2 ZINC000611983712 521419967 /nfs/dbraw/zinc/41/99/67/521419967.db2.gz CXFBAFAVSKHSNS-HNNXBMFYSA-N 1 0 355.394 2.826 20 5 FFBDRO C[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[C@H](O)Cc1ccccc1 ZINC000602583164 521423874 /nfs/dbraw/zinc/42/38/74/521423874.db2.gz RBIGIUBMHUZDGV-DNVCBOLYSA-N 1 0 370.453 2.540 20 5 FFBDRO CCOc1ccc(C(=O)NCc2cccc3c2CC[NH2+]C3)cc1[N+](=O)[O-] ZINC000602585153 521425875 /nfs/dbraw/zinc/42/58/75/521425875.db2.gz NYKVXTUYFHDANX-UHFFFAOYSA-N 1 0 355.394 2.569 20 5 FFBDRO C[C@@]1(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCO[C@H]1C1CC1 ZINC000602612045 521437769 /nfs/dbraw/zinc/43/77/69/521437769.db2.gz RADHMUTZPCZJRN-OALUTQOASA-N 1 0 360.458 2.753 20 5 FFBDRO CCC1([NH+]2CCOCC2)CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000599778440 521466855 /nfs/dbraw/zinc/46/68/55/521466855.db2.gz DWXWVUOEGCVLKV-UHFFFAOYSA-N 1 0 362.430 2.704 20 5 FFBDRO CCC(C)(C)[NH+]1CCN(C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000594211751 521476863 /nfs/dbraw/zinc/47/68/63/521476863.db2.gz OOIZFACJMHXGNJ-UHFFFAOYSA-N 1 0 364.446 2.619 20 5 FFBDRO CCCN1C[C@@H](C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1=O ZINC000602700302 521485480 /nfs/dbraw/zinc/48/54/80/521485480.db2.gz UZANVOYAXNWDFL-LLVKDONJSA-N 1 0 359.348 2.962 20 5 FFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000602705869 521488040 /nfs/dbraw/zinc/48/80/40/521488040.db2.gz NLEMFUJEWMVWKA-NSHDSACASA-N 1 0 355.320 2.727 20 5 FFBDRO O=C1CC[C@@H]2C[N@H+](Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC[C@H]2N1 ZINC000602711489 521491967 /nfs/dbraw/zinc/49/19/67/521491967.db2.gz ZUNYBYNPPIJPIX-ZWNOBZJWSA-N 1 0 357.332 2.714 20 5 FFBDRO CC[C@H]1C[N@H+](CC)CCN1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597089484 521494800 /nfs/dbraw/zinc/49/48/00/521494800.db2.gz BJEJODVUNXJKAX-NSHDSACASA-N 1 0 355.826 2.778 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@@H]3Cc4ccccc4CO3)CC2)cn1 ZINC000602721287 521494823 /nfs/dbraw/zinc/49/48/23/521494823.db2.gz PIZNPWJNUDKYNM-IBGZPJMESA-N 1 0 368.437 2.690 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@@H]3CCN3C3CCCCC3)CC2)cn1 ZINC000602719714 521495744 /nfs/dbraw/zinc/49/57/44/521495744.db2.gz FMEJBQAOMCBKDB-IBGZPJMESA-N 1 0 373.501 2.955 20 5 FFBDRO C[N@H+](CCCCNC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N)C1CC1 ZINC000597090823 521496655 /nfs/dbraw/zinc/49/66/55/521496655.db2.gz SFGDYRUZSJKNPL-UHFFFAOYSA-N 1 0 355.826 2.826 20 5 FFBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C1 ZINC000599832237 521499197 /nfs/dbraw/zinc/49/91/97/521499197.db2.gz TWQVNJLAWYSYLK-CYBMUJFWSA-N 1 0 357.414 2.949 20 5 FFBDRO C[C@](CO)([NH2+]C[C@@H]1CCN(c2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000602732075 521502690 /nfs/dbraw/zinc/50/26/90/521502690.db2.gz NJFJXHFQMQBGHY-OXJNMPFZSA-N 1 0 355.438 2.918 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H]1Cn1cnc2ccccc21 ZINC000602794602 521536893 /nfs/dbraw/zinc/53/68/93/521536893.db2.gz JJFZJMPRKUXEBX-HNNXBMFYSA-N 1 0 354.414 2.614 20 5 FFBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H](Cn3cnc4ccccc43)C2)c1 ZINC000602810741 521548337 /nfs/dbraw/zinc/54/83/37/521548337.db2.gz IJXBOEHPEOWMGM-OAHLLOKOSA-N 1 0 354.414 2.553 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@H]2CCN(c3ccccn3)C2)n1 ZINC000616007419 521601511 /nfs/dbraw/zinc/60/15/11/521601511.db2.gz SJHLQKGESNOOCW-ARFHVFGLSA-N 1 0 356.430 2.539 20 5 FFBDRO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000619872044 521913179 /nfs/dbraw/zinc/91/31/79/521913179.db2.gz UYCOUTFLGNWHGE-CQSZACIVSA-N 1 0 367.833 2.575 20 5 FFBDRO COCC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)C1 ZINC000485396633 561318379 /nfs/dbraw/zinc/31/83/79/561318379.db2.gz XOWUVJNAFBNZOZ-HNNXBMFYSA-N 1 0 360.389 2.929 20 5 FFBDRO C[C@H]([NH2+]CCOc1ccccc1-c1nn[nH]n1)c1ccccc1[N+](=O)[O-] ZINC000824599754 608563858 /nfs/dbraw/zinc/56/38/58/608563858.db2.gz RTAOCPWOEMNAKH-LBPRGKRZSA-N 1 0 354.370 2.505 20 5 FFBDRO COc1ccc(C[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)c(F)c2)cc1[N+](=O)[O-] ZINC000826201953 609139029 /nfs/dbraw/zinc/13/90/29/609139029.db2.gz IXPXLVODLYRXET-SNVBAGLBSA-N 1 0 372.360 2.773 20 5 FFBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824607258 609145953 /nfs/dbraw/zinc/14/59/53/609145953.db2.gz WOOJIFKZXIKALJ-NSHDSACASA-N 1 0 356.361 2.807 20 5 FFBDRO Nc1cc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)ncc1[N+](=O)[O-] ZINC001164627833 719083597 /nfs/dbraw/zinc/08/35/97/719083597.db2.gz RBRFFDBINKJHQH-CRAIPNDOSA-N 1 0 353.426 2.673 20 5 FFBDRO O=[N+]([O-])c1cnc(Cl)cc1N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164727323 720348325 /nfs/dbraw/zinc/34/83/25/720348325.db2.gz SUNFDVAHRDOQTI-ZIAGYGMSSA-N 1 0 359.817 2.891 20 5 FFBDRO Cc1c(C)c(N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)ncc1[N+](=O)[O-] ZINC001164728998 720396117 /nfs/dbraw/zinc/39/61/17/720396117.db2.gz UQTKTTMJIOJYQB-DLBZAZTESA-N 1 0 353.426 2.855 20 5 FFBDRO Cc1cnc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC001164901701 721512411 /nfs/dbraw/zinc/51/24/11/721512411.db2.gz YDLPQNDFWUKPEQ-DOTOQJQBSA-N 1 0 372.400 2.779 20 5 FFBDRO Cc1ccnc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164899727 721521516 /nfs/dbraw/zinc/52/15/16/721521516.db2.gz LYRBLYQERJPRDH-NVXWUHKLSA-N 1 0 372.400 2.779 20 5 FFBDRO CN(CC1CC[NH+](C)CC1)c1nc(C(F)(F)F)nc(Cl)c1[N+](=O)[O-] ZINC001165042523 721937274 /nfs/dbraw/zinc/93/72/74/721937274.db2.gz IFWAQINTHLJRTI-UHFFFAOYSA-N 1 0 367.759 2.835 20 5 FFBDRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3cc(F)c(Cl)c([N+](=O)[O-])c3Cl)C[C@H]21 ZINC000897908002 735292462 /nfs/dbraw/zinc/29/24/62/735292462.db2.gz DNZFIZBMQCUBLP-JDICNCQASA-N 1 0 362.188 2.673 20 5 FFBDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000746571205 735494796 /nfs/dbraw/zinc/49/47/96/735494796.db2.gz UHUJBHSOKUMSFS-CQSZACIVSA-N 1 0 369.849 2.821 20 5 FFBDRO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000106867689 728512720 /nfs/dbraw/zinc/51/27/20/728512720.db2.gz IEYPOJUKWDPNAV-CYBMUJFWSA-N 1 0 351.403 2.573 20 5 FFBDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000113343646 728554123 /nfs/dbraw/zinc/55/41/23/728554123.db2.gz KRAKKGJADDAFRY-ZDUSSCGKSA-N 1 0 351.403 2.702 20 5 FFBDRO CC[NH+](CC)[C@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)c1ccsc1 ZINC000126349929 728699815 /nfs/dbraw/zinc/69/98/15/728699815.db2.gz UATVXFFFTBPRHE-CQSZACIVSA-N 1 0 363.443 2.645 20 5 FFBDRO CC1(C)C[C@@H]([NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C(C)(C)O1 ZINC000132039401 728723555 /nfs/dbraw/zinc/72/35/55/728723555.db2.gz LVNUCEYSMQMHPL-CQSZACIVSA-N 1 0 353.394 2.998 20 5 FFBDRO CC[C@@](C)(CC(=O)OC)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000134149660 728728852 /nfs/dbraw/zinc/72/88/52/728728852.db2.gz HPGUXLWMQIQSQT-KRWDZBQOSA-N 1 0 351.403 2.553 20 5 FFBDRO C[NH2+][C@@H](C)Cc1noc(-c2cc(F)cc([N+](=O)[O-])c2Br)n1 ZINC000261828710 729654296 /nfs/dbraw/zinc/65/42/96/729654296.db2.gz RDTLEWCGDCDVFK-LURJTMIESA-N 1 0 359.155 2.697 20 5 FFBDRO CCC[N@H+](C)CC(C)(C)NC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000856282372 730320925 /nfs/dbraw/zinc/32/09/25/730320925.db2.gz VISMCUQYTGYVJA-UHFFFAOYSA-N 1 0 354.426 2.650 20 5 FFBDRO C[C@@H](NC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000925167367 738484676 /nfs/dbraw/zinc/48/46/76/738484676.db2.gz BVYCFPQPSSROPY-KCXAZCMYSA-N 1 0 364.471 2.535 20 5 FFBDRO CC1([NH+]2CCOCC2)CCN(C(=O)c2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000862959283 730737668 /nfs/dbraw/zinc/73/76/68/730737668.db2.gz RKLOLWFLPYPOHY-UHFFFAOYSA-N 1 0 367.833 2.575 20 5 FFBDRO COC(=O)c1cc(C)nc(NC2CCC(C)([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000866147890 731034709 /nfs/dbraw/zinc/03/47/09/731034709.db2.gz ZZHFBCOXIXKRJT-UHFFFAOYSA-N 1 0 350.419 2.760 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H]1CC2(CO1)CCOCC2 ZINC000866533654 731071539 /nfs/dbraw/zinc/07/15/39/731071539.db2.gz SZGVRDUMSKWBTI-HIFRSBDPSA-N 1 0 350.415 2.840 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)c(OS(=O)(=O)CCC[NH+]2CCCC2)cc1F ZINC000867266561 731163240 /nfs/dbraw/zinc/16/32/40/731163240.db2.gz YOEYAEILWAYPKV-UHFFFAOYSA-N 1 0 366.798 2.582 20 5 FFBDRO CC(C)[NH+]1CCC(NC(=O)COc2cc(Cl)c([N+](=O)[O-])cc2F)CC1 ZINC000871694937 731667603 /nfs/dbraw/zinc/66/76/03/731667603.db2.gz SVMTZJLATZRJPL-UHFFFAOYSA-N 1 0 373.812 2.755 20 5 FFBDRO CC[C@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC)C(=O)N1CCOCC1 ZINC000872040708 731723335 /nfs/dbraw/zinc/72/33/35/731723335.db2.gz BRXMNKCXVYRUAQ-DOMZBBRYSA-N 1 0 367.471 2.605 20 5 FFBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)C1(S(C)(=O)=O)CC1 ZINC000872071792 731726736 /nfs/dbraw/zinc/72/67/36/731726736.db2.gz XOZXWCRTXIPACX-WDEREUQCSA-N 1 0 358.485 2.933 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000872118846 731731391 /nfs/dbraw/zinc/73/13/91/731731391.db2.gz JZOCQKAUOVUOSG-YPRXJGMQSA-N 1 0 368.455 2.610 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@]1(N2CCOCC2)CCSC1 ZINC000873020099 731864978 /nfs/dbraw/zinc/86/49/78/731864978.db2.gz FFDDVZADMOREAU-GOSISDBHSA-N 1 0 365.499 2.509 20 5 FFBDRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000874838226 732106379 /nfs/dbraw/zinc/10/63/79/732106379.db2.gz OJLIFQPRFAEFHP-ZIAGYGMSSA-N 1 0 368.231 2.666 20 5 FFBDRO O=[N+]([O-])c1sc(C[NH2+]CCCNc2ncccn2)cc1Br ZINC000876875292 732290466 /nfs/dbraw/zinc/29/04/66/732290466.db2.gz TUVDRESTZIFPIH-UHFFFAOYSA-N 1 0 372.248 2.801 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H](CCO)c3cccs3)CC2)cn1 ZINC000877051362 732317944 /nfs/dbraw/zinc/31/79/44/732317944.db2.gz WKJZDWQXEQDCLG-HNNXBMFYSA-N 1 0 362.455 2.733 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000877245682 732336493 /nfs/dbraw/zinc/33/64/93/732336493.db2.gz LITWZHQUBCHPNA-VTPLQMEGSA-N 1 0 367.833 2.662 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(Oc2ccc(Cl)cn2)CC1 ZINC000878706079 732581374 /nfs/dbraw/zinc/58/13/74/732581374.db2.gz AWYDKFPXXFKOKD-UHFFFAOYSA-N 1 0 365.821 2.692 20 5 FFBDRO C[C@H](CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000781605709 738640527 /nfs/dbraw/zinc/64/05/27/738640527.db2.gz CPFXMRUYRXVPBW-LLVKDONJSA-N 1 0 357.357 2.800 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000879560713 732723267 /nfs/dbraw/zinc/72/32/67/732723267.db2.gz IFHZXQDTTFTUMD-OLZOCXBDSA-N 1 0 365.455 2.617 20 5 FFBDRO COc1ccccc1[C@@H]1CSCCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000880174852 732859900 /nfs/dbraw/zinc/85/99/00/732859900.db2.gz RSDGPCXBMGOPBW-INIZCTEOSA-N 1 0 362.455 2.980 20 5 FFBDRO C[C@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CCN1c1cc[nH+]cc1 ZINC000881635914 733077357 /nfs/dbraw/zinc/07/73/57/733077357.db2.gz ORGNCTIOGKMKCE-LBPRGKRZSA-N 1 0 360.801 2.994 20 5 FFBDRO O=C(C[NH2+][C@H](CO)C1CCCCC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000782086658 738687156 /nfs/dbraw/zinc/68/71/56/738687156.db2.gz XTAIAEAZZVKRBA-CQSZACIVSA-N 1 0 355.822 2.718 20 5 FFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H]1CCN1C1CCOCC1 ZINC000927103445 738690720 /nfs/dbraw/zinc/69/07/20/738690720.db2.gz QRZAVOXUSHNYED-CXAGYDPISA-N 1 0 351.422 2.508 20 5 FFBDRO COc1cc(F)c([N+](=O)[O-])c(NC2CC[NH+](C3CCOCC3)CC2)c1 ZINC000882591433 733253215 /nfs/dbraw/zinc/25/32/15/733253215.db2.gz JCJKNQJVPCOPIF-UHFFFAOYSA-N 1 0 353.394 2.798 20 5 FFBDRO Cc1ccsc1[C@H](CO)[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000782550900 738733059 /nfs/dbraw/zinc/73/30/59/738733059.db2.gz RVLMAAWDYNPUDB-AWEZNQCLSA-N 1 0 367.402 2.756 20 5 FFBDRO Cc1sc(-c2cccc([N+](=O)[O-])c2)nc1-c1cn([C@H]2CC[NH2+]C2)nn1 ZINC000887407839 733924617 /nfs/dbraw/zinc/92/46/17/733924617.db2.gz UJJSMWOCVHAOBM-ZDUSSCGKSA-N 1 0 356.411 2.820 20 5 FFBDRO O=[N+]([O-])c1cnc(NCCC2(O)CC[NH+](Cc3ccccc3)CC2)s1 ZINC000717929596 734375386 /nfs/dbraw/zinc/37/53/86/734375386.db2.gz ZYILIFAFVJSZJT-UHFFFAOYSA-N 1 0 362.455 2.880 20 5 FFBDRO CC(C)(C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1COCC12OCCO2 ZINC000894855795 734928248 /nfs/dbraw/zinc/92/82/48/734928248.db2.gz CVDCRNXCULFQCR-HNNXBMFYSA-N 1 0 370.833 2.754 20 5 FFBDRO O=[N+]([O-])c1ccc2nc(N3CC[NH+](CC4CCOCC4)CC3)sc2c1 ZINC000736298761 734980838 /nfs/dbraw/zinc/98/08/38/734980838.db2.gz NHYPBRUGBQOPEW-UHFFFAOYSA-N 1 0 362.455 2.753 20 5 FFBDRO C[C@@H](C[NH2+]Cc1ccc(S(C)(=O)=O)s1)c1ccccc1[N+](=O)[O-] ZINC000897461831 735237650 /nfs/dbraw/zinc/23/76/50/735237650.db2.gz YVHZRGPFIIIWJR-NSHDSACASA-N 1 0 354.453 2.953 20 5 FFBDRO C[C@@H](CNC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl)C[NH+](C)C ZINC000897824322 735280789 /nfs/dbraw/zinc/28/07/89/735280789.db2.gz ZUWRMEWIUGLVKI-ZETCQYMHSA-N 1 0 352.193 2.968 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000747376507 735560114 /nfs/dbraw/zinc/56/01/14/735560114.db2.gz SUIIERSASQLUAX-DFBGVHRSSA-N 1 0 367.833 2.572 20 5 FFBDRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000900585957 735664685 /nfs/dbraw/zinc/66/46/85/735664685.db2.gz DXLRNYGXAOLQMV-GFCCVEGCSA-N 1 0 373.812 2.570 20 5 FFBDRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000900585958 735664749 /nfs/dbraw/zinc/66/47/49/735664749.db2.gz DXLRNYGXAOLQMV-LBPRGKRZSA-N 1 0 373.812 2.570 20 5 FFBDRO CC[C@H](C)[N@H+](C)CCNS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000752246173 735970930 /nfs/dbraw/zinc/97/09/30/735970930.db2.gz FQQUDHJVAHMTJA-NSHDSACASA-N 1 0 363.867 2.565 20 5 FFBDRO CCOC(=O)N1CCC([NH2+][C@@H](C)c2cc(OC)cc([N+](=O)[O-])c2)CC1 ZINC000903068190 736025926 /nfs/dbraw/zinc/02/59/26/736025926.db2.gz ZBYXSWKGOUPSOE-LBPRGKRZSA-N 1 0 351.403 2.875 20 5 FFBDRO C[C@H](CCNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000753291798 736052661 /nfs/dbraw/zinc/05/26/61/736052661.db2.gz OYDYRLSFJGLMDB-LLVKDONJSA-N 1 0 363.443 2.594 20 5 FFBDRO CN(C)Cc1csc(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000903218696 736057551 /nfs/dbraw/zinc/05/75/51/736057551.db2.gz BRJREDJSHPYNQA-KGLIPLIRSA-N 1 0 364.475 2.583 20 5 FFBDRO C[N@H+]1C[C@H]2CN(C(=O)c3cc(F)c(Cl)c([N+](=O)[O-])c3Cl)C[C@H]2C1 ZINC000907804439 736669706 /nfs/dbraw/zinc/66/97/06/736669706.db2.gz DYFPFGDALKDNHV-OCAPTIKFSA-N 1 0 362.188 2.674 20 5 FFBDRO O=C(OCCC[NH+]1CCCCC1)c1cc([N+](=O)[O-])ccc1SCCO ZINC000800191286 740498940 /nfs/dbraw/zinc/49/89/40/740498940.db2.gz YUXYDWGBOFQODE-UHFFFAOYSA-N 1 0 368.455 2.712 20 5 FFBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3cccc4nsnc43)C2)nc1 ZINC000766894038 737272407 /nfs/dbraw/zinc/27/24/07/737272407.db2.gz IJEQJFJVGGILHJ-LBPRGKRZSA-N 1 0 356.411 2.681 20 5 FFBDRO C[NH+](C)CC[C@@H](NC(=O)c1cc2nsnc2c([N+](=O)[O-])c1)C(C)(C)C ZINC000771511304 737731598 /nfs/dbraw/zinc/73/15/98/737731598.db2.gz UZWAVBNCKFHMPF-CYBMUJFWSA-N 1 0 365.459 2.696 20 5 FFBDRO CS[C@@H]1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000772580355 737824880 /nfs/dbraw/zinc/82/48/80/737824880.db2.gz SXSTVAYIBUIIGE-LSDHHAIUSA-N 1 0 352.416 2.519 20 5 FFBDRO CS[C@@H]1CN(c2ccc([N+](=O)[O-])cc2Br)C[C@H]1[NH+](C)C ZINC000774536941 737998704 /nfs/dbraw/zinc/99/87/04/737998704.db2.gz QEYNGOKEOORYJO-CHWSQXEVSA-N 1 0 360.277 2.839 20 5 FFBDRO CC(C)[N@@H+]1CCCN(Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)CC1 ZINC000774627659 738007013 /nfs/dbraw/zinc/00/70/13/738007013.db2.gz PUEXXCDZANQBNE-UHFFFAOYSA-N 1 0 351.838 2.972 20 5 FFBDRO C[N@@H+]1CCC[C@H]2CN(Cn3ncc4cc([N+](=O)[O-])cc(Cl)c43)CC[C@H]21 ZINC000774640374 738008768 /nfs/dbraw/zinc/00/87/68/738008768.db2.gz RXUYTFNSPRDOGN-BLLLJJGKSA-N 1 0 363.849 2.972 20 5 FFBDRO Cn1ccc(-c2nc(C[NH2+]CCOc3ccc([N+](=O)[O-])cc3)cs2)n1 ZINC000921721117 738032983 /nfs/dbraw/zinc/03/29/83/738032983.db2.gz FQABCZTXGZTQNS-UHFFFAOYSA-N 1 0 359.411 2.620 20 5 FFBDRO COC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000775816270 738128384 /nfs/dbraw/zinc/12/83/84/738128384.db2.gz PFDBLRKNVNNASX-QWHCGFSZSA-N 1 0 351.403 2.560 20 5 FFBDRO CCOC(=O)CC[C@H]1CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776590748 738212244 /nfs/dbraw/zinc/21/22/44/738212244.db2.gz KGAMYCXIJCWFLW-PBHICJAKSA-N 1 0 350.415 2.684 20 5 FFBDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000923285260 738266560 /nfs/dbraw/zinc/26/65/60/738266560.db2.gz BEIIYNFJPCLCQC-UONOGXRCSA-N 1 0 367.833 2.712 20 5 FFBDRO CS[C@H]1CN(C(=O)c2cc(F)cc(C)c2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000777310868 738277234 /nfs/dbraw/zinc/27/72/34/738277234.db2.gz SVUSMNKJWXMISL-GJZGRUSLSA-N 1 0 367.446 2.694 20 5 FFBDRO CN(C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H]1CCC[N@H+](C)C1 ZINC000929832133 739026428 /nfs/dbraw/zinc/02/64/28/739026428.db2.gz AUKFFWSUWKODAI-LLVKDONJSA-N 1 0 358.345 2.754 20 5 FFBDRO CC[C@@H](CO)[NH+]1CCN(c2ccc(C)c(Br)c2[N+](=O)[O-])CC1 ZINC000787898610 739185682 /nfs/dbraw/zinc/18/56/82/739185682.db2.gz LFQJERGNYRPBLO-LBPRGKRZSA-N 1 0 372.263 2.559 20 5 FFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@H]([NH+](C)C)[C@@H]1C ZINC000931041461 739203357 /nfs/dbraw/zinc/20/33/57/739203357.db2.gz CZBULVRZFYYARL-FIXISWKDSA-N 1 0 354.838 2.600 20 5 FFBDRO C[NH+](C)C1(C)CCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000931353768 739250207 /nfs/dbraw/zinc/25/02/07/739250207.db2.gz OWQFGEQFXNTOGG-UHFFFAOYSA-N 1 0 354.838 2.603 20 5 FFBDRO C[C@@H]([NH2+]CC(C)(C)N1C[C@@H](C)O[C@H](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788503070 739251331 /nfs/dbraw/zinc/25/13/31/739251331.db2.gz CJBMCAUMPVDODY-MGPQQGTHSA-N 1 0 350.463 2.715 20 5 FFBDRO CC[NH+](CC)C[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000790881066 739508267 /nfs/dbraw/zinc/50/82/67/739508267.db2.gz VDZMTXHKWUBVIF-LLVKDONJSA-N 1 0 363.867 2.565 20 5 FFBDRO CCOC(=O)C1([C@H](C)[NH2+]Cc2ccc(F)cc2[N+](=O)[O-])CCOCC1 ZINC000933879406 739700095 /nfs/dbraw/zinc/70/00/95/739700095.db2.gz DPLFMYVEVYHKCG-LBPRGKRZSA-N 1 0 354.378 2.572 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCSC[C@@H]1C ZINC000934301828 739763228 /nfs/dbraw/zinc/76/32/28/739763228.db2.gz UJPHHJREDRTFGV-LBPRGKRZSA-N 1 0 353.444 2.759 20 5 FFBDRO CSC1(CNC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC[NH+](C)CC1 ZINC000936042678 740049777 /nfs/dbraw/zinc/04/97/77/740049777.db2.gz QZKYGFOQFUNHQX-HZPDHXFCSA-N 1 0 363.483 2.642 20 5 FFBDRO CCNC(=O)OC[C@@H]1CCCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000796165936 740110585 /nfs/dbraw/zinc/11/05/85/740110585.db2.gz WKGCTKNPPANCEB-AWEZNQCLSA-N 1 0 351.403 2.574 20 5 FFBDRO CCCN(CC[NH+]1CCCC1)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000796376633 740137956 /nfs/dbraw/zinc/13/79/56/740137956.db2.gz BYALHMZBFNCJNQ-UHFFFAOYSA-N 1 0 368.865 2.995 20 5 FFBDRO CC(C)[N@@H+]1CCO[C@@H](COC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000797076852 740209995 /nfs/dbraw/zinc/20/99/95/740209995.db2.gz JXJYFYIIHCPAEO-CQSZACIVSA-N 1 0 350.415 2.525 20 5 FFBDRO CS[C@H]1CN(Cc2ccc(Br)c([N+](=O)[O-])c2)C[C@H]1[NH+](C)C ZINC000801525024 740627521 /nfs/dbraw/zinc/62/75/21/740627521.db2.gz DLRSBTJSHREBHF-KGLIPLIRSA-N 1 0 374.304 2.835 20 5 FFBDRO CN(C)CC[N@H+](C)CCCN(C)c1nc2ccc([N+](=O)[O-])cc2s1 ZINC000808133139 741191391 /nfs/dbraw/zinc/19/13/91/741191391.db2.gz MZBVWYJJKOZDDR-UHFFFAOYSA-N 1 0 351.476 2.524 20 5 FFBDRO CC(C)(C)OC(=O)NC1CC([NH2+]CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000809613893 741321585 /nfs/dbraw/zinc/32/15/85/741321585.db2.gz GWKWYSICSDLXBT-UHFFFAOYSA-N 1 0 351.403 2.619 20 5 FFBDRO Cc1cc(Cl)c(S(=O)(=O)N[C@@H](C)C[N@@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000809861092 741357216 /nfs/dbraw/zinc/35/72/16/741357216.db2.gz NOPTVYKFHHFZRM-NSHDSACASA-N 1 0 363.867 2.564 20 5 FFBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)[C@@H]1n1cccn1 ZINC000816672591 742052681 /nfs/dbraw/zinc/05/26/81/742052681.db2.gz DUSPSBJTAXZUME-BMFZPTHFSA-N 1 0 350.806 2.953 20 5 FFBDRO C[NH+](C)C1CCC(NC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000817163419 742099445 /nfs/dbraw/zinc/09/94/45/742099445.db2.gz WQDGKKAIQUEFRG-UHFFFAOYSA-N 1 0 354.838 2.920 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCc2nc(C(F)(F)F)cs2)cc1 ZINC000819123958 742340066 /nfs/dbraw/zinc/34/00/66/742340066.db2.gz HXKIEKVYBZPKPR-NSHDSACASA-N 1 0 361.345 2.936 20 5 FFBDRO CC(C)(C)OC(=O)NC(C)(C)C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819128093 742340850 /nfs/dbraw/zinc/34/08/50/742340850.db2.gz PRCMJDZKIUAOCX-CQSZACIVSA-N 1 0 353.419 2.521 20 5 FFBDRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000820828257 742556292 /nfs/dbraw/zinc/55/62/92/742556292.db2.gz VYELAZKMWXZWOS-LBPRGKRZSA-N 1 0 371.869 2.642 20 5 FFBDRO C[N@H+](CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)CC1CCCCCC1 ZINC001029964483 742823951 /nfs/dbraw/zinc/82/39/51/742823951.db2.gz LEQOLIFKDBTUHJ-QZTJIDSGSA-N 1 0 351.491 2.792 20 5 FFBDRO Cc1cc(C[N@@H+]2CCC3(C2)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC3)cs1 ZINC001035186660 742944301 /nfs/dbraw/zinc/94/43/01/742944301.db2.gz IRORNAYSAYUMGB-HZPDHXFCSA-N 1 0 363.483 2.536 20 5 FFBDRO O=[N+]([O-])c1ccc(F)cc1C[NH2+][C@H](C1CCOCC1)C1(CO)CCC1 ZINC000823638065 742952841 /nfs/dbraw/zinc/95/28/41/742952841.db2.gz RRNXAPFZCXKJGU-QGZVFWFLSA-N 1 0 352.406 2.781 20 5 FFBDRO Cc1cc(Cl)c(C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)cc1[N+](=O)[O-] ZINC000823724455 742969720 /nfs/dbraw/zinc/96/97/20/742969720.db2.gz ZEVFBPAERCXZMX-ZDUSSCGKSA-N 1 0 369.849 2.643 20 5 FFBDRO O=C(N[C@H]1CC[C@H](C[NH2+]Cc2cccc(Cl)c2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001050325398 743510463 /nfs/dbraw/zinc/51/04/63/743510463.db2.gz BOPQLMXUBMJBAB-BASLNEPJSA-N 1 0 365.861 2.770 20 5 FFBDRO O=[N+]([O-])c1ccc(I)c(OCC2CC[NH2+]CC2)c1 ZINC000830375173 745344935 /nfs/dbraw/zinc/34/49/35/745344935.db2.gz PXPZKZDTEUBBOA-UHFFFAOYSA-N 1 0 362.167 2.578 20 5 FFBDRO CO[C@@H]1CCN([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C[C@@H]1C ZINC000831527989 745542628 /nfs/dbraw/zinc/54/26/28/745542628.db2.gz JVKGIQMLCZHQLY-ZIBATOQPSA-N 1 0 355.822 2.932 20 5 FFBDRO O=C(C[NH2+][C@@H]([C@@H](CO)C1CC1)C1CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000831651138 745561132 /nfs/dbraw/zinc/56/11/32/745561132.db2.gz ZOVZMYUCTAIMDN-SUMWQHHRSA-N 1 0 367.833 2.573 20 5 FFBDRO CN(CCc1cnccn1)Cc1cccc([N+](=O)[O-])c1Br ZINC000839536626 746849954 /nfs/dbraw/zinc/84/99/54/746849954.db2.gz OMZWHZZAESTQGA-UHFFFAOYSA-N 1 0 351.204 2.822 20 5 FFBDRO CC(C)[N@H+](C)CC(=O)N[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC000839865700 746947078 /nfs/dbraw/zinc/94/70/78/746947078.db2.gz YTMPYXJOIZYSMS-ZDUSSCGKSA-N 1 0 351.300 2.794 20 5 FFBDRO O=[N+]([O-])c1cc(F)cc(-c2nc([C@@H]3CCC[NH2+]3)no2)c1Br ZINC000842644622 747647184 /nfs/dbraw/zinc/64/71/84/747647184.db2.gz SFYWZLZOCPKZJZ-QMMMGPOBSA-N 1 0 357.139 2.971 20 5 FFBDRO [NH3+]CCCOC1CCN(Cc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000843056205 747757619 /nfs/dbraw/zinc/75/76/19/747757619.db2.gz DZHSOXMADDWOLM-UHFFFAOYSA-N 1 0 372.263 2.687 20 5 FFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@H](O)c2ccc(Cl)c(F)c2)c1 ZINC000843093781 747768567 /nfs/dbraw/zinc/76/85/67/747768567.db2.gz NZIDXGHNXRNWOR-HOTGVXAUSA-N 1 0 354.765 2.744 20 5 FFBDRO O=[N+]([O-])c1cc(CN2CC[C@]3(C2)CCC[NH2+]C3)ccc1Br ZINC000843114538 747775191 /nfs/dbraw/zinc/77/51/91/747775191.db2.gz CYZDDHKZUMYXSS-OAHLLOKOSA-N 1 0 354.248 2.933 20 5 FFBDRO O=[N+]([O-])c1cccc(Br)c1CN1CC[C@]2(C1)CCC[NH2+]C2 ZINC000843116835 747775901 /nfs/dbraw/zinc/77/59/01/747775901.db2.gz MLOPSRTUFOAIGO-OAHLLOKOSA-N 1 0 354.248 2.933 20 5 FFBDRO O=C(CN1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000843363370 747817633 /nfs/dbraw/zinc/81/76/33/747817633.db2.gz YQIHKAZMZAYKOF-DOMZBBRYSA-N 1 0 366.849 2.651 20 5 FFBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000843367813 747819273 /nfs/dbraw/zinc/81/92/73/747819273.db2.gz HWNZXKUQKNGAAK-OICBVUGWSA-N 1 0 366.849 2.634 20 5 FFBDRO CC[C@@H]1CN([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC[C@H]1[NH3+] ZINC000843377378 747820820 /nfs/dbraw/zinc/82/08/20/747820820.db2.gz PKGDJMPCUXHBAF-JTNHKYCSSA-N 1 0 354.838 2.634 20 5 FFBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000843387599 747822266 /nfs/dbraw/zinc/82/22/66/747822266.db2.gz UKZGEFJEDRMURA-UPJWGTAASA-N 1 0 366.849 2.507 20 5 FFBDRO CC[NH+](CC)CCCCNC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000843798312 747897527 /nfs/dbraw/zinc/89/75/27/747897527.db2.gz UODXITIAAGJVRS-UHFFFAOYSA-N 1 0 352.391 2.663 20 5 FFBDRO COCC[NH+]1CCC(OC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000847886201 748803819 /nfs/dbraw/zinc/80/38/19/748803819.db2.gz QQNRTGIWYOQIQC-UHFFFAOYSA-N 1 0 350.415 2.526 20 5 FFBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000848510493 748946263 /nfs/dbraw/zinc/94/62/63/748946263.db2.gz TXEPIJRAFUUAEN-OLZOCXBDSA-N 1 0 373.862 2.543 20 5 FFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCS(=O)(=O)Cc1ccccc1 ZINC000848526654 748950010 /nfs/dbraw/zinc/95/00/10/748950010.db2.gz DJXXLZIWDICPFX-KRWDZBQOSA-N 1 0 360.435 2.787 20 5 FFBDRO COC[C@H]([NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1)C1CCOCC1 ZINC000850350490 749349404 /nfs/dbraw/zinc/34/94/04/749349404.db2.gz CRUMZLPEQCTCNP-AWEZNQCLSA-N 1 0 373.247 2.889 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCS(=O)(=O)CC(F)(F)F ZINC000850518764 749379958 /nfs/dbraw/zinc/37/99/58/749379958.db2.gz HWICSPFEULMHPR-JTQLQIEISA-N 1 0 354.350 2.531 20 5 FFBDRO CC(C)[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)[C@H](O)c1ccc(Cl)cc1 ZINC000852731294 749937088 /nfs/dbraw/zinc/93/70/88/749937088.db2.gz WOPSBTYBPOOEEL-JKSUJKDBSA-N 1 0 352.822 2.793 20 5 FFBDRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C2 ZINC000854739867 750362895 /nfs/dbraw/zinc/36/28/95/750362895.db2.gz YKNGKQBQCXIJKF-MRXNPFEDSA-N 1 0 353.369 2.631 20 5 FFBDRO COc1c(O)ccc(C[NH2+][C@@H]2CCN(C)[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000893266636 971206355 /nfs/dbraw/zinc/20/63/55/971206355.db2.gz SDWBLSUVVNNLHX-NVXWUHKLSA-N 1 0 357.410 2.844 20 5 FFBDRO COC1CC[NH+](C(C)(C)CNC(=O)c2c(C)c(C)ccc2[N+](=O)[O-])CC1 ZINC000896257993 971375448 /nfs/dbraw/zinc/37/54/48/971375448.db2.gz ITLLDFZETCGXNK-UHFFFAOYSA-N 1 0 363.458 2.831 20 5 FFBDRO O=[N+]([O-])c1ccc2nc(Cl)nc(-n3ccnc3[C@@H]3CCC[NH2+]C3)c2c1 ZINC001167057652 959214172 /nfs/dbraw/zinc/21/41/72/959214172.db2.gz VAYXXXHVCLSXHY-SNVBAGLBSA-N 1 0 358.789 2.844 20 5 FFBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000248894321 959811722 /nfs/dbraw/zinc/81/17/22/959811722.db2.gz SYRLSGNTKNCUSP-SUMWQHHRSA-N 1 0 357.385 2.984 20 5 FFBDRO CC(C)(O)C[NH+]1CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1 ZINC000134774668 959989957 /nfs/dbraw/zinc/98/99/57/959989957.db2.gz LISDBAONRGMNEY-UHFFFAOYSA-N 1 0 356.426 2.550 20 5 FFBDRO CC1(C)C[NH2+]CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 ZINC000872269589 1013194150 /nfs/dbraw/zinc/19/41/50/1013194150.db2.gz MOPMAMKLKKOVSZ-CQSZACIVSA-N 1 0 360.458 2.703 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000872281721 1013201188 /nfs/dbraw/zinc/20/11/88/1013201188.db2.gz YLIOHUBPBWPKIM-RDJZCZTQSA-N 1 0 364.442 2.758 20 5 FFBDRO [NH3+]Cc1cnc2c(ccn2-c2cnc(Oc3ccc([N+](=O)[O-])cc3)nc2)c1 ZINC001167311693 961615717 /nfs/dbraw/zinc/61/57/17/961615717.db2.gz YIFAOSWICZZGMJ-UHFFFAOYSA-N 1 0 362.349 2.975 20 5 FFBDRO [NH3+]CC1(N(Cc2ccccc2)c2cc3cccnc3c([N+](=O)[O-])c2)COC1 ZINC001167374405 962485054 /nfs/dbraw/zinc/48/50/54/962485054.db2.gz CRENLFVZLHFKDV-UHFFFAOYSA-N 1 0 364.405 2.877 20 5 FFBDRO Cc1c(C[NH2+][C@H](C)Cn2ncc3ccccc3c2=O)cccc1[N+](=O)[O-] ZINC000873097093 1013384309 /nfs/dbraw/zinc/38/43/09/1013384309.db2.gz GNAVNGUPBAFALZ-CYBMUJFWSA-N 1 0 352.394 2.791 20 5 FFBDRO Cc1c(C[NH2+][C@H]2CCCN(Cc3ccccn3)C2=O)cccc1[N+](=O)[O-] ZINC000873103596 1013386396 /nfs/dbraw/zinc/38/63/96/1013386396.db2.gz CZVBQGCFCMIZDV-KRWDZBQOSA-N 1 0 354.410 2.579 20 5 FFBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000135210300 963821762 /nfs/dbraw/zinc/82/17/62/963821762.db2.gz AEZVVORVTCCJCD-UHFFFAOYSA-N 1 0 360.389 2.767 20 5 FFBDRO COc1ccc(CN(C)Cc2ccc(O)c(OC)c2[N+](=O)[O-])cc1OC ZINC000891477532 964364743 /nfs/dbraw/zinc/36/47/43/964364743.db2.gz LMVLFAHOCAJTGO-UHFFFAOYSA-N 1 0 362.382 2.958 20 5 FFBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@@H]1CCCCC12CC[NH2+]CC2 ZINC000891723036 964960283 /nfs/dbraw/zinc/96/02/83/964960283.db2.gz MGGPEQBMQHWSOK-QGZVFWFLSA-N 1 0 360.458 2.749 20 5 FFBDRO O=[N+]([O-])c1cnc2ccc(F)cc2c1N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000894437426 965371559 /nfs/dbraw/zinc/37/15/59/965371559.db2.gz YXNDOSKHTOZKOL-OAHLLOKOSA-N 1 0 374.416 2.973 20 5 FFBDRO C[C@H]1CCCCN1C(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000934044161 965540716 /nfs/dbraw/zinc/54/07/16/965540716.db2.gz PZMJYLLQDCCACI-AWEZNQCLSA-N 1 0 361.446 2.753 20 5 FFBDRO CCOC(=O)c1ccc(-n2cc(CC[NH3+])c3cc(O)ccc32)c([N+](=O)[O-])c1 ZINC001167986880 965926825 /nfs/dbraw/zinc/92/68/25/965926825.db2.gz HSAFFOIALXOFMA-UHFFFAOYSA-N 1 0 369.377 2.922 20 5 FFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000895266067 968878178 /nfs/dbraw/zinc/87/81/78/968878178.db2.gz FSEQUBJXXUZDOD-AWEZNQCLSA-N 1 0 370.409 2.739 20 5 FFBDRO O=[N+]([O-])c1ccc(OC2CC3(C2)CC[NH2+]C3)cc1I ZINC001218061371 969414675 /nfs/dbraw/zinc/41/46/75/969414675.db2.gz TZIQLRXQQWTGTL-UHFFFAOYSA-N 1 0 374.178 2.720 20 5 FFBDRO O=[N+]([O-])c1ccc(O[C@H]2CC[C@@]23CC[NH2+]C3)cc1I ZINC001218119009 969470359 /nfs/dbraw/zinc/47/03/59/969470359.db2.gz QRODBJIEEVWOOU-STQMWFEESA-N 1 0 374.178 2.720 20 5 FFBDRO [NH3+]Cc1nn(-c2cnc(Oc3ccc([N+](=O)[O-])cc3)nc2)c2ccccc12 ZINC001167697882 969637759 /nfs/dbraw/zinc/63/77/59/969637759.db2.gz OXSPRAANQUQVGB-UHFFFAOYSA-N 1 0 362.349 2.975 20 5 FFBDRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000874827006 1013910685 /nfs/dbraw/zinc/91/06/85/1013910685.db2.gz AGCGJLCENFUWCS-PMACEKPBSA-N 1 0 361.445 2.990 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H](C3CC3)[C@@H]3CCCOC3)CC2)cn1 ZINC000897082458 973222936 /nfs/dbraw/zinc/22/29/36/973222936.db2.gz SWKLCRUAYMFZKM-BEFAXECRSA-N 1 0 360.458 2.753 20 5 FFBDRO C[N@H+](Cc1ccccc1C1CC1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985425843 974052454 /nfs/dbraw/zinc/05/24/54/974052454.db2.gz LDFKBIXQBXRWMZ-RTBURBONSA-N 1 0 357.454 2.652 20 5 FFBDRO O=C(NC1CC[NH+](C2CCOCC2)CC1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000898631231 976588020 /nfs/dbraw/zinc/58/80/20/976588020.db2.gz QLFUCDWCWSUCAD-UHFFFAOYSA-N 1 0 373.409 2.714 20 5 FFBDRO Cc1nc(C2CCN(C(=O)CN(C)c3ccccc3[N+](=O)[O-])CC2)[nH]c1C ZINC000899511754 977200237 /nfs/dbraw/zinc/20/02/37/977200237.db2.gz IRMVYPUKFNVVLP-UHFFFAOYSA-N 1 0 371.441 2.777 20 5 FFBDRO Cc1c(C(=O)N[C@H](C)C[NH+]2CCCCC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000126195981 1014403869 /nfs/dbraw/zinc/40/38/69/1014403869.db2.gz ANVYWRWNAKLRSS-LLVKDONJSA-N 1 0 364.402 2.724 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@H]3COc4ccccc4C3)CC2)cn1 ZINC000876877404 1014407568 /nfs/dbraw/zinc/40/75/68/1014407568.db2.gz UXUFFCOTLAVVKY-HNNXBMFYSA-N 1 0 368.437 2.800 20 5 FFBDRO COCCCOc1cccc(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)c1 ZINC000877113053 1014477238 /nfs/dbraw/zinc/47/72/38/1014477238.db2.gz YQRUUZMWJVTBTA-UHFFFAOYSA-N 1 0 360.414 2.700 20 5 FFBDRO CC(C)(C)OC(=O)C1CCC([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000877118688 1014480391 /nfs/dbraw/zinc/48/03/91/1014480391.db2.gz JXKMFJUBFRKIOA-UHFFFAOYSA-N 1 0 364.446 2.985 20 5 FFBDRO COc1ccc([C@@H]2CN(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)C[C@H]2[NH3+])cc1 ZINC000877236039 1014520269 /nfs/dbraw/zinc/52/02/69/1014520269.db2.gz UOEQPYCXAPQSEX-BUPMKKPCSA-N 1 0 367.405 2.570 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3C[C@@H](O)c4ccccc43)CC2)cn1 ZINC000877630073 1014652726 /nfs/dbraw/zinc/65/27/26/1014652726.db2.gz YOVHGFNHDQXORL-QZTJIDSGSA-N 1 0 354.410 2.727 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CCc2ccc3ncccc3c2)c1 ZINC000905519706 980461675 /nfs/dbraw/zinc/46/16/75/980461675.db2.gz DFMRPAYOBGAHQR-SFHVURJKSA-N 1 0 367.405 2.715 20 5 FFBDRO COC(=O)CCCN1CCC([NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000897466128 981133135 /nfs/dbraw/zinc/13/31/35/981133135.db2.gz OQLAMSBFKJFAQM-OAHLLOKOSA-N 1 0 363.458 2.706 20 5 FFBDRO COc1ccc(C[NH2+][C@H]2CCN(C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000729681893 981283713 /nfs/dbraw/zinc/28/37/13/981283713.db2.gz MNJQUSHHGPYWEG-KRWDZBQOSA-N 1 0 371.437 2.976 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000877902916 1014758956 /nfs/dbraw/zinc/75/89/56/1014758956.db2.gz IOKBOMOUKFCRLH-UHFFFAOYSA-N 1 0 362.430 2.668 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000878286179 1014965885 /nfs/dbraw/zinc/96/58/85/1014965885.db2.gz KIVJQCXFWCXKHH-SJORKVTESA-N 1 0 362.405 2.827 20 5 FFBDRO C[C@@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000912814265 984126430 /nfs/dbraw/zinc/12/64/30/984126430.db2.gz UURMYGPZWQICSI-LRDDRELGSA-N 1 0 359.430 2.664 20 5 FFBDRO O=C(c1ccnc(-c2ccccc2)c1[N+](=O)[O-])N1CC[C@H]([NH+]2CCC2)C1 ZINC000912909457 984144929 /nfs/dbraw/zinc/14/49/29/984144929.db2.gz RZOMWXNUKPMVRU-HNNXBMFYSA-N 1 0 352.394 2.577 20 5 FFBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000045873486 984544938 /nfs/dbraw/zinc/54/49/38/984544938.db2.gz HVCWUQOLACMJHD-UHFFFAOYSA-N 1 0 370.453 2.913 20 5 FFBDRO C[C@@H](CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)[NH+]1CCCC1 ZINC000046408527 984675580 /nfs/dbraw/zinc/67/55/80/984675580.db2.gz DVXMOMWDMLVFEK-INIZCTEOSA-N 1 0 363.461 2.755 20 5 FFBDRO C[N@@H+]1CCCN(c2ccc(NC(=O)Cc3ccccc3[N+](=O)[O-])cc2)CC1 ZINC000046404140 984675846 /nfs/dbraw/zinc/67/58/46/984675846.db2.gz MTZIWWANKPLJLG-UHFFFAOYSA-N 1 0 368.437 2.918 20 5 FFBDRO Cc1nn(C[N@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000765084587 984956969 /nfs/dbraw/zinc/95/69/69/984956969.db2.gz WEDJSFZCPNKNSV-FZKQIMNGSA-N 1 0 354.414 2.990 20 5 FFBDRO COc1nc(SC)nc(N2C[C@@H](CC[NH3+])c3ccccc32)c1[N+](=O)[O-] ZINC001168546929 985221818 /nfs/dbraw/zinc/22/18/18/985221818.db2.gz ZHWSQOQFPJWIIQ-SNVBAGLBSA-N 1 0 361.427 2.699 20 5 FFBDRO Cc1nccn1C[C@H](C)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000765755278 985462005 /nfs/dbraw/zinc/46/20/05/985462005.db2.gz RQEVDRYOXNRNTR-OAHLLOKOSA-N 1 0 357.458 2.994 20 5 FFBDRO Cc1nn(CN2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)c(C)c1[N+](=O)[O-] ZINC000173531940 985858002 /nfs/dbraw/zinc/85/80/02/985858002.db2.gz MZOSAEQGHOFBBZ-HNNXBMFYSA-N 1 0 357.458 2.962 20 5 FFBDRO C[NH+]1CCC2(CC1)CC[NH+](Cc1nc(-c3cccc([N+](=O)[O-])c3)no1)CC2 ZINC000879248615 1015437152 /nfs/dbraw/zinc/43/71/52/1015437152.db2.gz RDAAMMFCICAZNH-UHFFFAOYSA-N 1 0 371.441 2.953 20 5 FFBDRO CN(C)C(=O)[C@H]1CCC[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000766007189 988990765 /nfs/dbraw/zinc/99/07/65/988990765.db2.gz OHVCZDONDAAZCE-RDJZCZTQSA-N 1 0 374.485 2.800 20 5 FFBDRO COc1cccc(C(=O)NCc2ccc(Cn3ccnc3)cc2)c1[N+](=O)[O-] ZINC000194049657 989139008 /nfs/dbraw/zinc/13/90/08/989139008.db2.gz OIZVNZMCXSNJNQ-UHFFFAOYSA-N 1 0 366.377 2.778 20 5 FFBDRO Cc1cc(C)c(C[NH+]2CCC(N(C)C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c(C)c1 ZINC001005379847 989743756 /nfs/dbraw/zinc/74/37/56/989743756.db2.gz XZYLUQMIYZPCSY-IEBWSBKVSA-N 1 0 359.470 2.700 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@H+](CCc2ccccc2)[C@@H]2CCOC2)c1 ZINC000154429274 990238726 /nfs/dbraw/zinc/23/87/26/990238726.db2.gz BEFQZYZZWWFTNH-WOJBJXKFSA-N 1 0 356.422 2.962 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2Cc3cccnc3N3CCC[C@@H]3C2)cc1 ZINC000879500095 1015563990 /nfs/dbraw/zinc/56/39/90/1015563990.db2.gz OOAYYCKZDCNQRJ-MSOLQXFVSA-N 1 0 354.410 2.508 20 5 FFBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000154860834 990540370 /nfs/dbraw/zinc/54/03/70/990540370.db2.gz VERZPYJRTGSEIK-UHFFFAOYSA-N 1 0 360.458 2.751 20 5 FFBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]C[C@@H]2CCN2C2CCOCC2)c1 ZINC000922950854 990764609 /nfs/dbraw/zinc/76/46/09/990764609.db2.gz PYZDGKNAEUWKMJ-HNNXBMFYSA-N 1 0 371.384 2.539 20 5 FFBDRO CC1(C)[C@@H](c2ccccc2F)CC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000879638862 1015621228 /nfs/dbraw/zinc/62/12/28/1015621228.db2.gz GHEKIKRNSSAKRJ-GDBMZVCRSA-N 1 0 362.405 2.559 20 5 FFBDRO CN(C(=O)CN1CCC(C)([NH+]2CCCCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000879949957 1015716022 /nfs/dbraw/zinc/71/60/22/1015716022.db2.gz AKYCCZAFCYNHIT-UHFFFAOYSA-N 1 0 374.485 2.898 20 5 FFBDRO CC(=O)Nc1ccc2c(c1)C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000880032065 1015738662 /nfs/dbraw/zinc/73/86/62/1015738662.db2.gz YIKNRRZIGDYMGS-IBGZPJMESA-N 1 0 355.394 2.645 20 5 FFBDRO C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000880079996 1015749625 /nfs/dbraw/zinc/74/96/25/1015749625.db2.gz MPQUZSPORCECNF-ZWKOTPCHSA-N 1 0 371.393 2.585 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCCN3c4ccccc4C[C@H]3C2)cc1 ZINC000810052461 994678369 /nfs/dbraw/zinc/67/83/69/994678369.db2.gz ZJHXJMPPGANHTI-AZUAARDMSA-N 1 0 353.422 2.765 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1N(CC(C)(C)[NH3+])S(=O)(=O)c1ccccc1 ZINC001170608249 994793202 /nfs/dbraw/zinc/79/32/02/994793202.db2.gz AUFKDSLGBUUQLW-UHFFFAOYSA-N 1 0 363.439 2.836 20 5 FFBDRO COc1cc([N+](=O)[O-])cnc1NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001132747131 995102188 /nfs/dbraw/zinc/10/21/88/995102188.db2.gz AOYHJUPRKLVLSX-HNNXBMFYSA-N 1 0 370.409 2.849 20 5 FFBDRO CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC001132801141 995143292 /nfs/dbraw/zinc/14/32/92/995143292.db2.gz JVPGUTLUPTXHAX-UXLLHSPISA-N 1 0 374.485 2.901 20 5 FFBDRO O=C(OCCC[NH+]1CCCCC1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000747758962 995318739 /nfs/dbraw/zinc/31/87/39/995318739.db2.gz UJQNJWALMODGOQ-UHFFFAOYSA-N 1 0 358.398 2.813 20 5 FFBDRO Cc1ccccc1C[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cc2C1 ZINC001054264657 1015996170 /nfs/dbraw/zinc/99/61/70/1015996170.db2.gz NZXDIRWFIDZRER-WOJBJXKFSA-N 1 0 365.433 2.792 20 5 FFBDRO O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000826752361 1016046500 /nfs/dbraw/zinc/04/65/00/1016046500.db2.gz ZAYJUYNUIWGHFT-ZYSHUDEJSA-N 1 0 357.454 2.937 20 5 FFBDRO O=C(CCc1cc(F)ccc1[N+](=O)[O-])NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000826750583 1016059649 /nfs/dbraw/zinc/05/96/49/1016059649.db2.gz GZDFMFCAZUHCFE-HNNXBMFYSA-N 1 0 363.433 2.905 20 5 FFBDRO Nc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000823993521 996773882 /nfs/dbraw/zinc/77/38/82/996773882.db2.gz GZVSGYWELHXKBG-INIZCTEOSA-N 1 0 369.425 2.963 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]([C@H](CO)C3CC3)C3CC3)CC2)cc1 ZINC000824846191 997125237 /nfs/dbraw/zinc/12/52/37/997125237.db2.gz QDVXRPJYFBCPHD-WOJBJXKFSA-N 1 0 359.470 2.950 20 5 FFBDRO C[NH+](C)CCN(CC1CCCCC1)C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825389397 997334807 /nfs/dbraw/zinc/33/48/07/997334807.db2.gz NDOKDOOJKWJFKD-SFHVURJKSA-N 1 0 363.458 2.599 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2cnn(CN3CC[C@H]([NH+]4CCCCC4)C3)c2)cc1 ZINC000730807728 997498802 /nfs/dbraw/zinc/49/88/02/997498802.db2.gz XIVJVALJFAKUTO-IBGZPJMESA-N 1 0 355.442 2.976 20 5 FFBDRO Cc1cc([N+](=O)[O-])nn1Cc1cccc(-c2nc(C3CC[NH2+]CC3)no2)c1 ZINC000844905619 998214378 /nfs/dbraw/zinc/21/43/78/998214378.db2.gz FHZMBKLGOBIOMV-UHFFFAOYSA-N 1 0 368.397 2.665 20 5 FFBDRO COc1cc(C(=O)N(C)c2ccc(OCC[NH+](C)C)cc2)ccc1[N+](=O)[O-] ZINC000732005389 998391514 /nfs/dbraw/zinc/39/15/14/998391514.db2.gz ISMIECQOVADMGP-UHFFFAOYSA-N 1 0 373.409 2.820 20 5 FFBDRO CN(C(=O)COc1cccc([N+](=O)[O-])c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000732005628 998391566 /nfs/dbraw/zinc/39/15/66/998391566.db2.gz FPFQMWZQKPPFPW-UHFFFAOYSA-N 1 0 373.409 2.577 20 5 FFBDRO CN(C(=O)COc1ccccc1[N+](=O)[O-])c1ccc(OCC[NH+](C)C)cc1 ZINC000732006574 998391961 /nfs/dbraw/zinc/39/19/61/998391961.db2.gz OEHZRJLUGGFCBT-UHFFFAOYSA-N 1 0 373.409 2.577 20 5 FFBDRO CN(C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000732165176 998498158 /nfs/dbraw/zinc/49/81/58/998498158.db2.gz CTWKVROQQZJTEA-QGZVFWFLSA-N 1 0 372.469 2.894 20 5 FFBDRO O=C(C[C@H]1CN(Cc2ccccc2)CCO1)OCc1ccc([N+](=O)[O-])cc1 ZINC000741346844 999722819 /nfs/dbraw/zinc/72/28/19/999722819.db2.gz MPJBGINVSGYXMF-IBGZPJMESA-N 1 0 370.405 2.929 20 5 FFBDRO CC(C)(C)c1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cc1 ZINC001086082840 999754674 /nfs/dbraw/zinc/75/46/74/999754674.db2.gz FPFMFHBGXIVTRN-BZZMCLGOSA-N 1 0 359.470 2.634 20 5 FFBDRO [NH3+][C@H]1CCN(C(F)(F)c2cc(-c3cccc([N+](=O)[O-])c3)nnc2Cl)C1 ZINC001156232237 1000006895 /nfs/dbraw/zinc/00/68/95/1000006895.db2.gz SPWIYJYZLXOEBK-JTQLQIEISA-N 1 0 369.759 2.788 20 5 FFBDRO CC(C)(C)OC(=O)N1CCC(F)(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168956540 1000012634 /nfs/dbraw/zinc/01/26/34/1000012634.db2.gz BNSCUNVICQSGIM-KBPBESRZSA-N 1 0 359.442 2.761 20 5 FFBDRO CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001168960238 1000013122 /nfs/dbraw/zinc/01/31/22/1000013122.db2.gz FEYQTPOCZRBJQT-DGADGQDISA-N 1 0 353.463 2.952 20 5 FFBDRO CC(C)(C)OC(=O)N1C[C@H]([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC(F)(F)C1 ZINC001168971387 1000013415 /nfs/dbraw/zinc/01/34/15/1000013415.db2.gz KBWRPDRNOGBISQ-FRRDWIJNSA-N 1 0 363.405 2.666 20 5 FFBDRO O=C(c1ccc(F)cc1)N1CCC(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168993592 1000013928 /nfs/dbraw/zinc/01/39/28/1000013928.db2.gz NLRFJWOKVPUFBB-CRAIPNDOSA-N 1 0 363.433 2.713 20 5 FFBDRO CC(C)[C@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC001169008239 1000015013 /nfs/dbraw/zinc/01/50/13/1000015013.db2.gz SHJREKUSQKJLEE-BMFZPTHFSA-N 1 0 355.479 2.913 20 5 FFBDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)C2(CC2)C1 ZINC001169004956 1000015005 /nfs/dbraw/zinc/01/50/05/1000015005.db2.gz SQNOIKUGMKBTQK-ZNMIVQPWSA-N 1 0 353.463 2.811 20 5 FFBDRO CC(C)(C)OC(=O)N1C[C@H]2CC[N@@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@@H]2C1 ZINC001169010584 1000015340 /nfs/dbraw/zinc/01/53/40/1000015340.db2.gz DVBRXITVXODCRJ-JJXSEGSLSA-N 1 0 353.463 2.621 20 5 FFBDRO CC(C)(C)OC(=O)N1CC[C@H]2CC[N@@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@H]21 ZINC001169010306 1000015400 /nfs/dbraw/zinc/01/54/00/1000015400.db2.gz COSOLORFHOAUDC-KLHDSHLOSA-N 1 0 353.463 2.763 20 5 FFBDRO [NH3+]CCCCN=c1ccc(Br)cn1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168988437 1000015838 /nfs/dbraw/zinc/01/58/38/1000015838.db2.gz SFVRYCZTISZHEE-TZMCWYRMSA-N 1 0 371.279 2.508 20 5 FFBDRO O=C1C[C@]2(CC[N@@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C2)CN1c1cccc(F)c1 ZINC001169018877 1000017175 /nfs/dbraw/zinc/01/71/75/1000017175.db2.gz CWPGKPOHYMLZIA-GMBSWORKSA-N 1 0 361.417 2.700 20 5 FFBDRO Cc1cccc(N([C@@H]2CC[C@H](C[N+](=O)[O-])C2)[C@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001169018981 1000017234 /nfs/dbraw/zinc/01/72/34/1000017234.db2.gz FWWIXCIPXXQZNR-NBYUQASBSA-N 1 0 359.470 2.768 20 5 FFBDRO Cc1ccc(N2C[C@]3(CC[N@@H+]([C@@H]4CC[C@H](C[N+](=O)[O-])C4)C3)CC2=O)s1 ZINC001169020112 1000017508 /nfs/dbraw/zinc/01/75/08/1000017508.db2.gz IHYJSKMSQPNCNN-HDMKZQKVSA-N 1 0 363.483 2.931 20 5 FFBDRO Cc1ccc(O[C@@H]2C[C@@H]3CN([C@H]4CC[C@H](C[N+](=O)[O-])C4)CC[N@@H+]3C2)cc1 ZINC001169026357 1000018067 /nfs/dbraw/zinc/01/80/67/1000018067.db2.gz LHCGIBCMNLZYTE-PNYFIKQUSA-N 1 0 359.470 2.578 20 5 FFBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2CCC[C@@]3(C[C@H](Oc4cccnc4)CO3)C2)C1 ZINC001169026219 1000018093 /nfs/dbraw/zinc/01/80/93/1000018093.db2.gz VYDZSLOGBDCAFH-OGWHTMIXSA-N 1 0 361.442 2.529 20 5 FFBDRO CN1C[C@H](c2ccccc2)C2(CC[NH+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)C1=O ZINC001169026917 1000018119 /nfs/dbraw/zinc/01/81/19/1000018119.db2.gz YZPBMEXMAXMTAG-BHIYHBOVSA-N 1 0 371.481 2.770 20 5 FFBDRO O=C(NCC1CC1)[C@@H]1CCC2(C1)CC[NH+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169026343 1000018260 /nfs/dbraw/zinc/01/82/60/1000018260.db2.gz LETKFEDIAGLSLZ-KSZLIROESA-N 1 0 363.502 2.840 20 5 FFBDRO O=C(c1ccc(Cl)cc1)N1CCC[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169049642 1000018657 /nfs/dbraw/zinc/01/86/57/1000018657.db2.gz XENIIFWDLLEVAN-PBHICJAKSA-N 1 0 365.861 2.933 20 5 FFBDRO CS(=O)(=O)c1ccc(C2CC[NH+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)cc1 ZINC001169057961 1000019227 /nfs/dbraw/zinc/01/92/27/1000019227.db2.gz ZMFPSAPFMPMNCM-WMLDXEAASA-N 1 0 366.483 2.715 20 5 FFBDRO C[C@H]([NH2+]C[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000846846063 1000457532 /nfs/dbraw/zinc/45/75/32/1000457532.db2.gz STQJOMZSMDWUOP-UGSOOPFHSA-N 1 0 365.430 2.617 20 5 FFBDRO CCCc1ccc(C[N@H+]2CC=C(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1 ZINC001000674194 1016423586 /nfs/dbraw/zinc/42/35/86/1016423586.db2.gz MGQHBEXQGUWINE-RTBURBONSA-N 1 0 357.454 2.553 20 5 FFBDRO O=C(Nc1cccnc1NC[C@H]1CCCC[NH2+]1)c1ccccc1[N+](=O)[O-] ZINC001171329385 1001117613 /nfs/dbraw/zinc/11/76/13/1001117613.db2.gz YYHKNCUXJHZTAB-CYBMUJFWSA-N 1 0 355.398 2.796 20 5 FFBDRO Cc1cc(F)ccc1[C@H](O)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000746669442 1001681918 /nfs/dbraw/zinc/68/19/18/1001681918.db2.gz CLPAQVNUVQOFET-RHSMWYFYSA-N 1 0 360.389 2.657 20 5 FFBDRO COc1cc(OC)cc(OCC[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000788666665 1001846835 /nfs/dbraw/zinc/84/68/35/1001846835.db2.gz DMNKUZVGTGRTIS-GFCCVEGCSA-N 1 0 361.398 2.924 20 5 FFBDRO C[C@H]([NH2+]C[C@H](CO)Cc1ccc(F)c(F)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788776734 1001874220 /nfs/dbraw/zinc/87/42/20/1001874220.db2.gz MIQPLOVWYSQWFI-WCQYABFASA-N 1 0 365.380 2.957 20 5 FFBDRO Cc1ccc(CN2CC[C@H]([NH2+][C@@H](C)c3ccc(N)c([N+](=O)[O-])c3)C2=O)cc1 ZINC000788787208 1001880186 /nfs/dbraw/zinc/88/01/86/1001880186.db2.gz ZROMMBBCUBGDEA-KSSFIOAISA-N 1 0 368.437 2.937 20 5 FFBDRO Cc1ccc(C[NH2+][C@H]2COCCN(C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC001183345444 1002248623 /nfs/dbraw/zinc/24/86/23/1002248623.db2.gz JESNLWOJMAVYHU-OAHLLOKOSA-N 1 0 365.430 2.629 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)cc1F ZINC001185413706 1002949182 /nfs/dbraw/zinc/94/91/82/1002949182.db2.gz WXTVBQKSQXCUBX-QWHCGFSZSA-N 1 0 373.450 2.584 20 5 FFBDRO COc1ccc(C[C@@H](C)[NH2+][C@@H](C)c2nnc3ccccn32)c([N+](=O)[O-])c1 ZINC001170298382 1003091965 /nfs/dbraw/zinc/09/19/65/1003091965.db2.gz KRURJGLFJDUQQT-OLZOCXBDSA-N 1 0 355.398 2.928 20 5 FFBDRO COc1ccc([C@@H](O)C[NH2+][C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC001170312581 1003104138 /nfs/dbraw/zinc/10/41/38/1003104138.db2.gz FUOZEFHFGLDBDH-DJJJIMSYSA-N 1 0 360.410 2.866 20 5 FFBDRO CCC(=O)N1CCC(C[NH2+][C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC001170317779 1003108156 /nfs/dbraw/zinc/10/81/56/1003108156.db2.gz LLVRRVNMLHNZMV-CQSZACIVSA-N 1 0 363.458 2.773 20 5 FFBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2cc(OCC3CC3)ncn2)c([N+](=O)[O-])c1 ZINC001170322446 1003110097 /nfs/dbraw/zinc/11/00/97/1003110097.db2.gz GYOJUUNKYUAFAN-CYBMUJFWSA-N 1 0 372.425 2.903 20 5 FFBDRO COc1ccc(C[C@@H](C)[NH2+][C@H]2CCCN(c3ccncn3)C2)c([N+](=O)[O-])c1 ZINC001170325981 1003112851 /nfs/dbraw/zinc/11/28/51/1003112851.db2.gz ZRDPTIPFOAHAPU-ZBFHGGJFSA-N 1 0 371.441 2.583 20 5 FFBDRO COc1ccc(C[C@@H](C)NC(=[NH2+])c2cnc3ccc(F)cn32)c([N+](=O)[O-])c1 ZINC001170326341 1003113555 /nfs/dbraw/zinc/11/35/55/1003113555.db2.gz HNMXZPQOAYMQOD-LLVKDONJSA-N 1 0 371.372 2.936 20 5 FFBDRO COC(=O)CC[C@H]1CC[N@@H+]([C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170352802 1003121608 /nfs/dbraw/zinc/12/16/08/1003121608.db2.gz QQPBAYFSRSSACT-KGLIPLIRSA-N 1 0 350.415 2.810 20 5 FFBDRO COc1ccc(C[C@H](C)N(c2ccncn2)C2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC001170356152 1003122960 /nfs/dbraw/zinc/12/29/60/1003122960.db2.gz YOKZDDSVOOTKNJ-AWEZNQCLSA-N 1 0 371.441 2.583 20 5 FFBDRO C[C@@H]1CC[C@@H]([NH2+]CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)[C@H](C)C1 ZINC000775683859 1003636826 /nfs/dbraw/zinc/63/68/26/1003636826.db2.gz SUEVVDWMTIDCEB-GPMSIDNRSA-N 1 0 374.485 2.658 20 5 FFBDRO COc1ccc(CN2CC3(CCCC3)OC[C@H]2C[NH+](C)C)cc1[N+](=O)[O-] ZINC001196189954 1003684954 /nfs/dbraw/zinc/68/49/54/1003684954.db2.gz WKMOMQXDTZZPNZ-MRXNPFEDSA-N 1 0 363.458 2.679 20 5 FFBDRO C[C@@](CO)([NH2+]CCC(=O)OCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC001196908673 1004010995 /nfs/dbraw/zinc/01/09/95/1004010995.db2.gz TXZKOMWTZOQOTO-IBGZPJMESA-N 1 0 358.394 2.525 20 5 FFBDRO CCCNC(=O)OC[C@H]1CCCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000805776972 1004129307 /nfs/dbraw/zinc/12/93/07/1004129307.db2.gz XGUHLJNGIOGXGW-IAGOWNOFSA-N 1 0 365.430 2.619 20 5 FFBDRO O=[N+]([O-])c1cc(CN2CCC([NH2+]C3CCOCC3)CC2)ccc1Cl ZINC001197737323 1004344891 /nfs/dbraw/zinc/34/48/91/1004344891.db2.gz AIBIJHAHMZAGCF-UHFFFAOYSA-N 1 0 353.850 2.981 20 5 FFBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000808191050 1004770108 /nfs/dbraw/zinc/77/01/08/1004770108.db2.gz LTDXDGBNQKJSNM-KXBFYZLASA-N 1 0 355.442 2.974 20 5 FFBDRO CC[C@H]1[C@@H](CO)CC[N@@H+]1Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001194731788 1004796095 /nfs/dbraw/zinc/79/60/95/1004796095.db2.gz GBLJOGATABMJPT-MFKMUULPSA-N 1 0 366.805 2.891 20 5 FFBDRO O=C(N[C@H]1CC[C@H](C[NH2+]Cc2ccccc2C2CC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001050326371 1016971050 /nfs/dbraw/zinc/97/10/50/1016971050.db2.gz ZLXJPKBKVUGPAS-SJFSSXKUSA-N 1 0 371.481 2.994 20 5 FFBDRO COc1ccc(CC(=O)OC[C@@H]2CC[N@@H+]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000851467248 1005889503 /nfs/dbraw/zinc/88/95/03/1005889503.db2.gz SFLPNNNKULZKBK-KRWDZBQOSA-N 1 0 370.405 2.964 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)CN2CCO[C@]3(CCc4ccccc43)C2)cc1 ZINC000776594198 1006009568 /nfs/dbraw/zinc/00/95/68/1006009568.db2.gz YIVGBAOCERKHGZ-VQTJNVASSA-N 1 0 354.406 2.802 20 5 FFBDRO Cc1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)c(N)c([N+](=O)[O-])c1 ZINC000813828100 1006047020 /nfs/dbraw/zinc/04/70/20/1006047020.db2.gz ZOUUWSJRDVILMR-PBHICJAKSA-N 1 0 368.437 2.878 20 5 FFBDRO COC(=O)[C@@H]1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@@H]2CCCC[C@H]12 ZINC000852496934 1006055384 /nfs/dbraw/zinc/05/53/84/1006055384.db2.gz SKSKMGHBXRSDAI-TVFCKZIOSA-N 1 0 362.426 2.682 20 5 FFBDRO [NH3+][C@H]1CCc2ccccc2N(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000852755209 1006169250 /nfs/dbraw/zinc/16/92/50/1006169250.db2.gz HLJHGWGJAOJKOI-AWEZNQCLSA-N 1 0 372.400 2.843 20 5 FFBDRO CC(C)[N@H+](C)Cc1cccc(CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000110872592 1006189646 /nfs/dbraw/zinc/18/96/46/1006189646.db2.gz BGXFOPKHBREEPL-UHFFFAOYSA-N 1 0 356.426 2.947 20 5 FFBDRO CC(C)(C)OC(=O)[C@@H](C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000853133603 1006308488 /nfs/dbraw/zinc/30/84/88/1006308488.db2.gz LROYIVFXMUMBSL-IRXDYDNUSA-N 1 0 364.442 2.976 20 5 FFBDRO C[C@@H]1CN(c2ccc(C(F)F)cc2[N+](=O)[O-])CC[C@H]1[NH+]1CCN(C)CC1 ZINC000853464647 1006398239 /nfs/dbraw/zinc/39/82/39/1006398239.db2.gz MRLUYRAHUVSIIG-UKRRQHHQSA-N 1 0 368.428 2.995 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC[C@@H]([NH2+]C3CCOCC3)C2)cc1OC(F)F ZINC000882726039 1006490334 /nfs/dbraw/zinc/49/03/34/1006490334.db2.gz IEEVXUWNDZUJKJ-CYBMUJFWSA-N 1 0 371.384 2.934 20 5 FFBDRO CCC1([NH+]2CCCCC2)CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000882818042 1006517949 /nfs/dbraw/zinc/51/79/49/1006517949.db2.gz ZLPPIEHDKIQJNK-UHFFFAOYSA-N 1 0 360.458 2.929 20 5 FFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@]2(CCN(c3ccc([N+](=O)[O-])cn3)C2)O1 ZINC000882979990 1006585869 /nfs/dbraw/zinc/58/58/69/1006585869.db2.gz VIHLOYJCFHAXDG-UZLBHIALSA-N 1 0 368.437 2.860 20 5 FFBDRO C[C@H]([NH2+]Cc1ccccc1Cn1cncn1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815558241 1006684407 /nfs/dbraw/zinc/68/44/07/1006684407.db2.gz WEKFTCSSWXNUSI-ZDUSSCGKSA-N 1 0 352.398 2.668 20 5 FFBDRO C[C@@H](Cn1ncc2ccccc2c1=O)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815598999 1006704326 /nfs/dbraw/zinc/70/43/26/1006704326.db2.gz IRDNOOWGAHVTPJ-STQMWFEESA-N 1 0 367.409 2.626 20 5 FFBDRO COC[C@]1(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)OCCc2ccccc21 ZINC000815626342 1006718666 /nfs/dbraw/zinc/71/86/66/1006718666.db2.gz BBPBUXFSDGXRFO-XOBRGWDASA-N 1 0 371.437 2.942 20 5 FFBDRO C[NH+]1CCC(N(C[C@H](O)CC(C)(C)C)C(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000854334345 1006783192 /nfs/dbraw/zinc/78/31/92/1006783192.db2.gz HFFHVRYLQCBNAI-MRXNPFEDSA-N 1 0 371.522 2.542 20 5 FFBDRO COc1c(O)ccc(C[NH2+][C@@H](C(C)C)C2(CO)CCCC2)c1[N+](=O)[O-] ZINC001206167198 1032170158 /nfs/dbraw/zinc/17/01/58/1032170158.db2.gz CHEKAKRNRFCLNF-KRWDZBQOSA-N 1 0 352.431 2.976 20 5 FFBDRO Nc1ccc(NC(=O)[C@@H](C[NH+]2CCCC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000854495794 1006855918 /nfs/dbraw/zinc/85/59/18/1006855918.db2.gz UNTJEDUUTQVHRQ-INIZCTEOSA-N 1 0 354.410 2.995 20 5 FFBDRO COc1cccc([C@H]2C[NH2+]CCN2C(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000883554844 1006861525 /nfs/dbraw/zinc/86/15/25/1006861525.db2.gz GVBZEDMPHIGWRC-QGZVFWFLSA-N 1 0 356.382 2.782 20 5 FFBDRO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC([N@H+]2CCOC[C@@H]2C)CC1 ZINC000854570036 1006896550 /nfs/dbraw/zinc/89/65/50/1006896550.db2.gz NTYOQVBTRSYOHI-KGAUPUERSA-N 1 0 373.453 2.710 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCC[N@@H+]1CCCC(C)(C)C1 ZINC001189720836 1007221913 /nfs/dbraw/zinc/22/19/13/1007221913.db2.gz YICDQVCMPRGFFA-UHFFFAOYSA-N 1 0 369.487 2.612 20 5 FFBDRO CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000776810130 1007310221 /nfs/dbraw/zinc/31/02/21/1007310221.db2.gz WPSYDNLXOVVPNL-ZFWWWQNUSA-N 1 0 365.430 2.950 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)c1C ZINC000884340564 1007384020 /nfs/dbraw/zinc/38/40/20/1007384020.db2.gz KXACVLJBIUMPRK-YJBOKZPZSA-N 1 0 361.442 2.570 20 5 FFBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000817490501 1007618037 /nfs/dbraw/zinc/61/80/37/1007618037.db2.gz FXGXRGZLUWGDBW-INIZCTEOSA-N 1 0 360.458 2.751 20 5 FFBDRO [NH3+]C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)C1CCCC1 ZINC000818002214 1007831554 /nfs/dbraw/zinc/83/15/54/1007831554.db2.gz XCSZMWVZQYHOHH-KRWDZBQOSA-N 1 0 360.458 2.832 20 5 FFBDRO CCc1noc(C[C@]2(O)CCC[N@@H+]([C@H](C)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC000856671002 1007941875 /nfs/dbraw/zinc/94/18/75/1007941875.db2.gz LHMDZBNEDXZTQD-FZKQIMNGSA-N 1 0 360.414 2.671 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]Cc2ccnc(OCC(F)(F)F)c2)cc1 ZINC000818955773 1007993197 /nfs/dbraw/zinc/99/31/97/1007993197.db2.gz DCRNNPSNTMRBQJ-CQSZACIVSA-N 1 0 371.315 2.754 20 5 FFBDRO O=C1CCCN1c1cccc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000818955621 1007993899 /nfs/dbraw/zinc/99/38/99/1007993899.db2.gz BUADKGWJLFJNLH-GOSISDBHSA-N 1 0 355.394 2.545 20 5 FFBDRO Cc1ccc([C@@H](C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)N2CCCC2)o1 ZINC000818997013 1008004859 /nfs/dbraw/zinc/00/48/59/1008004859.db2.gz PKJFHGFGZZCZMS-QZTJIDSGSA-N 1 0 359.426 2.956 20 5 FFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCOc2ccc(C(F)(F)F)cn2)c1 ZINC000819161021 1008052365 /nfs/dbraw/zinc/05/23/65/1008052365.db2.gz PUKFKGHVTIMGIQ-AWEZNQCLSA-N 1 0 371.315 2.711 20 5 FFBDRO C[NH+](C)CCOc1ccc(NC[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1F ZINC000819492143 1008155043 /nfs/dbraw/zinc/15/50/43/1008155043.db2.gz XCFDZYVCSFBSOP-QGZVFWFLSA-N 1 0 363.389 2.820 20 5 FFBDRO CC1CCC([NH+]2CCN(Cn3c4cc([N+](=O)[O-])ccc4oc3=O)CC2)CC1 ZINC000115514610 1008198581 /nfs/dbraw/zinc/19/85/81/1008198581.db2.gz CJBBEHACIBFZSF-UHFFFAOYSA-N 1 0 374.441 2.657 20 5 FFBDRO O=C(N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857762874 1008204010 /nfs/dbraw/zinc/20/40/10/1008204010.db2.gz GZKIBKFYOGEXKB-DOMZBBRYSA-N 1 0 369.368 2.557 20 5 FFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@@H]([NH+](C)C)CCc2ccccc21 ZINC000857933421 1008251201 /nfs/dbraw/zinc/25/12/01/1008251201.db2.gz YUBOOFRYSOQJJA-HNNXBMFYSA-N 1 0 354.410 2.821 20 5 FFBDRO CCOC(=O)C1=CC[C@H]([NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000858504155 1008371053 /nfs/dbraw/zinc/37/10/53/1008371053.db2.gz MDZCGNHAGJTSBR-DOMZBBRYSA-N 1 0 361.398 2.553 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@@](O)(c3ccccc3)C2)c1 ZINC000859588738 1008581863 /nfs/dbraw/zinc/58/18/63/1008581863.db2.gz JMXNTQRDVNZUJQ-FQEVSTJZSA-N 1 0 370.405 2.865 20 5 FFBDRO COc1ccc(OCC[N@@H+]2CCC[C@H](c3ncccn3)C2)c([N+](=O)[O-])c1 ZINC000886681140 1008817653 /nfs/dbraw/zinc/81/76/53/1008817653.db2.gz SRAPOVQUEURKIU-AWEZNQCLSA-N 1 0 358.398 2.652 20 5 FFBDRO COc1cc(Cc2noc([C@@H](C(C)C)[C@H](C)[NH3+])n2)c([N+](=O)[O-])c(OC)c1 ZINC000823147110 1008917899 /nfs/dbraw/zinc/91/78/99/1008917899.db2.gz WNCOSRQNJPTBKM-BONVTDFDSA-N 1 0 364.402 2.673 20 5 FFBDRO O=C(NCCCCCC[NH2+]Cc1cc2ccccc2o1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001178458631 1008995106 /nfs/dbraw/zinc/99/51/06/1008995106.db2.gz PCLRFVINWLMICH-IAGOWNOFSA-N 1 0 359.426 2.864 20 5 FFBDRO Cc1cc(C[NH2+][C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)cc2cccnc12 ZINC001179525330 1009351984 /nfs/dbraw/zinc/35/19/84/1009351984.db2.gz MNZZJPWJMXGLGV-UYAOXDASSA-N 1 0 367.405 2.636 20 5 FFBDRO O=C1[C@@H]([NH2+][C@H]2CCc3ccccc3OC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000509514134 1009528952 /nfs/dbraw/zinc/52/89/52/1009528952.db2.gz CETRXJABDHUPMA-YJBOKZPZSA-N 1 0 367.405 2.684 20 5 FFBDRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001180119471 1009568709 /nfs/dbraw/zinc/56/87/09/1009568709.db2.gz MBLNQPBPRZXVCV-AWEZNQCLSA-N 1 0 359.430 2.691 20 5 FFBDRO Cc1noc(C[C@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)c2ccccc2)n1 ZINC001180859628 1009877781 /nfs/dbraw/zinc/87/77/81/1009877781.db2.gz ZFQVPBJEMRFTFB-DQPZFDDXSA-N 1 0 368.397 2.760 20 5 FFBDRO O=C(CCC(=O)N1CCC([NH2+]C2CCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000889824606 1010139937 /nfs/dbraw/zinc/13/99/37/1010139937.db2.gz JDJJAFCVRNFZOQ-UHFFFAOYSA-N 1 0 359.426 2.691 20 5 FFBDRO O=C(NCC1CC[NH+](CC2CC2)CC1)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000826685236 1010296694 /nfs/dbraw/zinc/29/66/94/1010296694.db2.gz DIACCXQLHZZWOC-OALUTQOASA-N 1 0 357.454 2.937 20 5 FFBDRO COCCN(CCc1ccccc1)Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000794623296 1010444621 /nfs/dbraw/zinc/44/46/21/1010444621.db2.gz LIWQHVWCMFEVRK-UHFFFAOYSA-N 1 0 371.393 2.651 20 5 FFBDRO COc1ccc(C[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)c(C)c1OC ZINC000865705210 1010845264 /nfs/dbraw/zinc/84/52/64/1010845264.db2.gz KCPOQEYNNZMQIL-LJQANCHMSA-N 1 0 360.410 2.918 20 5 FFBDRO CN1C(=O)CCc2cc(C[NH2+][C@](C)(CO)c3cccc([N+](=O)[O-])c3)ccc21 ZINC000865705068 1010845488 /nfs/dbraw/zinc/84/54/88/1010845488.db2.gz FCVKICBEZFXVBC-HXUWFJFHSA-N 1 0 369.421 2.501 20 5 FFBDRO CN1CC[NH+](C2CCN(c3ccc([N+](=O)[O-])c(C(F)(F)F)c3)CC2)CC1 ZINC000866213601 1010952884 /nfs/dbraw/zinc/95/28/84/1010952884.db2.gz YBKOWOOXOAHQBW-UHFFFAOYSA-N 1 0 372.391 2.830 20 5 FFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCNC(=O)c1ccccc1F ZINC000866238151 1010959241 /nfs/dbraw/zinc/95/92/41/1010959241.db2.gz MUKIHIYTBOWWBK-GFCCVEGCSA-N 1 0 363.364 2.824 20 5 FFBDRO C[C@@H]([NH2+]Cc1ccnc(N2CCSCC2)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000866474158 1011001300 /nfs/dbraw/zinc/00/13/00/1011001300.db2.gz LEFDGRXRELNAGO-CYBMUJFWSA-N 1 0 373.482 2.976 20 5 FFBDRO C[NH+]1CCC(n2cc(NC(=O)[C@@H]3C[C@H]3c3cccc([N+](=O)[O-])c3)cn2)CC1 ZINC000828097821 1032596829 /nfs/dbraw/zinc/59/68/29/1032596829.db2.gz GNSOXLQOGHEOIQ-ZWKOTPCHSA-N 1 0 369.425 2.800 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CCC[C@@H]1N1CCOCC1)CC2 ZINC001172902873 1012076909 /nfs/dbraw/zinc/07/69/09/1012076909.db2.gz MPFUFZSTOQIASJ-RLLQIKCJSA-N 1 0 359.470 2.685 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]Cc1cccc(OC3COC3)n1)CC2 ZINC001172903132 1012077193 /nfs/dbraw/zinc/07/71/93/1012077193.db2.gz FGRZVKCNZATJDK-INIZCTEOSA-N 1 0 369.421 2.805 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]C1(CO)Cc3ccccc3C1)CC2 ZINC001172904295 1012078449 /nfs/dbraw/zinc/07/84/49/1012078449.db2.gz WROUJONGXPZVRX-IBGZPJMESA-N 1 0 352.434 2.962 20 5 FFBDRO CC[NH+](CC)C[C@H]1CN([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCO1 ZINC001172913036 1012125658 /nfs/dbraw/zinc/12/56/58/1012125658.db2.gz OMXDXUALYUXCBX-ICSRJNTNSA-N 1 0 361.486 2.885 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH2+]C[C@H](O)c3ccco3)CC2)c(F)c1 ZINC001173006316 1012174813 /nfs/dbraw/zinc/17/48/13/1012174813.db2.gz PZZCYRJMKXROFS-HNNXBMFYSA-N 1 0 367.352 2.758 20 5 FFBDRO O=C1CCC[C@H]([NH2+]C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)C1 ZINC001173008915 1012176551 /nfs/dbraw/zinc/17/65/51/1012176551.db2.gz HXMCWLSLTOMKTJ-LBPRGKRZSA-N 1 0 353.369 2.943 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(N2CCC([N@@H+]3CC[C@@H](O)[C@H](F)CC3)CC2)c(F)c1 ZINC001173010152 1012178774 /nfs/dbraw/zinc/17/87/74/1012178774.db2.gz NCXLQIAVZKAYIZ-CZUORRHYSA-N 1 0 373.375 2.637 20 5 FFBDRO CCOC(=O)C[C@H](C)[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173011417 1012181362 /nfs/dbraw/zinc/18/13/62/1012181362.db2.gz CWZBXCJVQGTBHV-NSHDSACASA-N 1 0 371.384 2.773 20 5 FFBDRO C[NH+]1CCC(CNC(=O)Cc2ccc([N+](=O)[O-])cc2)(c2ccccc2)CC1 ZINC000870192709 1012257070 /nfs/dbraw/zinc/25/70/70/1012257070.db2.gz GYWUIAAVRFUYOQ-UHFFFAOYSA-N 1 0 367.449 2.917 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C2CCN(C3CC3)CC2)c1F ZINC001173188214 1012330218 /nfs/dbraw/zinc/33/02/18/1012330218.db2.gz JEPRNHXMDZIIHD-LBPRGKRZSA-N 1 0 351.422 2.890 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH+]2CCC3(CCOC3=O)CC2)c1F ZINC001173193618 1012336256 /nfs/dbraw/zinc/33/62/56/1012336256.db2.gz UOOYGJBGQUDOFP-LBPRGKRZSA-N 1 0 366.389 2.703 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C2CCC3(CC2)OCCO3)c1F ZINC001173194169 1012336969 /nfs/dbraw/zinc/33/69/69/1012336969.db2.gz YHHANEWIHQOWJR-LBPRGKRZSA-N 1 0 368.405 2.949 20 5 FFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC1(c2cnccn2)CCOCC1 ZINC001173226198 1012361002 /nfs/dbraw/zinc/36/10/02/1012361002.db2.gz VYNXCWFOIUBGTB-OAHLLOKOSA-N 1 0 356.426 2.654 20 5 FFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1C[C@H]2CN(Cc3ccccn3)C[C@@H]2C1 ZINC001173228527 1012363580 /nfs/dbraw/zinc/36/35/80/1012363580.db2.gz YVFYSBMWCUNEOL-BHIYHBOVSA-N 1 0 366.465 2.985 20 5 FFBDRO CCn1c(=O)ccc2c1CC[C@@H]([NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1)C2 ZINC001173210521 1012370713 /nfs/dbraw/zinc/37/07/13/1012370713.db2.gz LLMMCPDAFPITGD-RHSMWYFYSA-N 1 0 355.438 2.855 20 5 FFBDRO COc1ccnc(N([C@H](C)Cc2ccc([N+](=O)[O-])cc2)C2CC[NH2+]CC2)n1 ZINC001173238749 1012384382 /nfs/dbraw/zinc/38/43/82/1012384382.db2.gz XLKCRHYNVSCMPN-CQSZACIVSA-N 1 0 371.441 2.583 20 5 FFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(Oc2ncc(F)cn2)CC1 ZINC001173238342 1012386450 /nfs/dbraw/zinc/38/64/50/1012386450.db2.gz QDGBCIAXCZUZIL-CYBMUJFWSA-N 1 0 360.389 2.998 20 5 FFBDRO C[C@](N)(C(=O)N1CCO[C@@](C)(c2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000870905692 1012626778 /nfs/dbraw/zinc/62/67/78/1012626778.db2.gz BWARNVHEVVKUDY-WOJBJXKFSA-N 1 0 369.421 2.543 20 5 FFBDRO COc1cc(CN2CC[C@@]3(CCC[NH2+]3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000415132217 1012635856 /nfs/dbraw/zinc/63/58/56/1012635856.db2.gz AMQFOAWUFQQIRW-KRWDZBQOSA-N 1 0 371.384 2.575 20 5 FFBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)C1 ZINC001275748154 1012955412 /nfs/dbraw/zinc/95/54/12/1012955412.db2.gz IBKMLGQIQHCHBM-AWEZNQCLSA-N 1 0 356.426 2.885 20 5 FFBDRO O=C(NCc1cccc2c1CC[N@H+](CC1CCCCC1)C2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001051291119 1017271934 /nfs/dbraw/zinc/27/19/34/1017271934.db2.gz KPGQQEUHIYLNEE-WOJBJXKFSA-N 1 0 371.481 2.906 20 5 FFBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000801836644 1019434282 /nfs/dbraw/zinc/43/42/82/1019434282.db2.gz POWUJVISLNVLMR-TZMCWYRMSA-N 1 0 372.400 2.881 20 5 FFBDRO CC(C)[N@@H+]1CCO[C@@H](COC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000802132013 1019780884 /nfs/dbraw/zinc/78/08/84/1019780884.db2.gz UKOWKJWLUXUULG-CQSZACIVSA-N 1 0 368.405 2.664 20 5 FFBDRO COc1ccc(C[NH2+]CCCNC(=O)/C=C\c2ccccc2)cc1[N+](=O)[O-] ZINC000800311585 1020206613 /nfs/dbraw/zinc/20/66/13/1020206613.db2.gz KOVMIWVCFSMXKC-LUAWRHEFSA-N 1 0 369.421 2.913 20 5 FFBDRO COc1cc(C[NH2+]CCN2CCc3ccccc32)c([N+](=O)[O-])cc1OC ZINC000725849873 1020269432 /nfs/dbraw/zinc/26/94/32/1020269432.db2.gz ZBKMZWRGAFWKKP-UHFFFAOYSA-N 1 0 357.410 2.764 20 5 FFBDRO Cc1ccc(C)c(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C3)c1 ZINC001048525169 1020275827 /nfs/dbraw/zinc/27/58/27/1020275827.db2.gz NXSGNNHMBAAMMU-HKUYMTLNSA-N 1 0 371.481 2.828 20 5 FFBDRO C[C@H]1CCC[C@H]([N@H+](C)CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000726586207 1020488758 /nfs/dbraw/zinc/48/87/58/1020488758.db2.gz IPFBARIZDAXWIR-KBPBESRZSA-N 1 0 360.414 2.831 20 5 FFBDRO COc1cc([C@H](C)[NH2+][C@H]2CCCN(c3cnn(C)c3)C2)cc([N+](=O)[O-])c1 ZINC000903098894 1020677108 /nfs/dbraw/zinc/67/71/08/1020677108.db2.gz BFHKJJSFAHLKNY-ZFWWWQNUSA-N 1 0 359.430 2.657 20 5 FFBDRO COc1cc([C@H](C)[NH2+]C2CCN(c3cc(C)[nH]n3)CC2)cc([N+](=O)[O-])c1 ZINC000903159654 1020708709 /nfs/dbraw/zinc/70/87/09/1020708709.db2.gz ZZGSXDSYMLIZLS-ZDUSSCGKSA-N 1 0 359.430 2.955 20 5 FFBDRO COc1cc([C@H](C)[NH2+]CCN2C[C@@H]3CCCCN3C2=O)cc([N+](=O)[O-])c1 ZINC000903204871 1020737400 /nfs/dbraw/zinc/73/74/00/1020737400.db2.gz XJLJLVFYICHYSC-ZFWWWQNUSA-N 1 0 362.430 2.544 20 5 FFBDRO COc1cc([C@H](C)[NH2+]Cc2ccc(N3CCNC3=O)cc2)cc([N+](=O)[O-])c1 ZINC000903217355 1020746999 /nfs/dbraw/zinc/74/69/99/1020746999.db2.gz VDYOPYOSFKPFFM-ZDUSSCGKSA-N 1 0 370.409 2.984 20 5 FFBDRO O=C(C[NH2+][C@H](c1ccccn1)C1CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000932377374 1020786307 /nfs/dbraw/zinc/78/63/07/1020786307.db2.gz NXQRHWCMRPYSQP-IBGZPJMESA-N 1 0 352.394 2.620 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(O)(C2CCC2)CC1 ZINC000932817694 1020907831 /nfs/dbraw/zinc/90/78/31/1020907831.db2.gz NIWYXGXFMWZAOG-UHFFFAOYSA-N 1 0 361.442 2.859 20 5 FFBDRO O=C(C[N@@H+]1CCC[C@@H](C2CCOCC2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000933082652 1020955442 /nfs/dbraw/zinc/95/54/42/1020955442.db2.gz YCOCKRFBKYZBLO-QGZVFWFLSA-N 1 0 373.453 2.623 20 5 FFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H](CO)c2ccccc2C(F)(F)F)c1 ZINC000933241519 1020983140 /nfs/dbraw/zinc/98/31/40/1020983140.db2.gz MRRFPAYRPKGRQV-HOTGVXAUSA-N 1 0 370.327 2.970 20 5 FFBDRO CCC(CC)C(=O)N1CCC([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000749679027 1021019792 /nfs/dbraw/zinc/01/97/92/1021019792.db2.gz SZIWTIMSFCIVSZ-SFHVURJKSA-N 1 0 363.458 2.645 20 5 FFBDRO Cc1cccc(NC[C@H]2CCC[N@@H+]2C[C@@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC001116351694 1021175748 /nfs/dbraw/zinc/17/57/48/1021175748.db2.gz ISHFVUOFCWVLBW-QZTJIDSGSA-N 1 0 356.426 2.908 20 5 FFBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CC[C@H]3[C@H]2CCC[N@H+]3CCO)c1 ZINC000934268176 1021182820 /nfs/dbraw/zinc/18/28/20/1021182820.db2.gz HUPNVVBJILCONI-CVEARBPZSA-N 1 0 373.375 2.645 20 5 FFBDRO C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC001116526985 1021263819 /nfs/dbraw/zinc/26/38/19/1021263819.db2.gz KSEGLNKMPYUYOQ-NEPJUHHUSA-N 1 0 357.357 2.799 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]Cc2ccc3c(c2)CCC3)cc1 ZINC001116587084 1021297002 /nfs/dbraw/zinc/29/70/02/1021297002.db2.gz GLIUGFNDTFNBTA-UHFFFAOYSA-N 1 0 360.435 2.647 20 5 FFBDRO CCC(C)(C)c1cc([N+](=O)[O-])c(O[C@@H]2C[NH2+]CCOC2)c([N+](=O)[O-])c1 ZINC001218047001 1032971260 /nfs/dbraw/zinc/97/12/60/1032971260.db2.gz ZKGARUGHWLIMIU-GFCCVEGCSA-N 1 0 353.375 2.558 20 5 FFBDRO Cc1c(Br)c(OC2C[NH2+]C2)c(Br)cc1[N+](=O)[O-] ZINC001218050538 1032971961 /nfs/dbraw/zinc/97/19/61/1032971961.db2.gz VGDGZSAGFPMKFG-UHFFFAOYSA-N 1 0 366.009 2.779 20 5 FFBDRO Cc1nc(O[C@@H]2CCC[C@@]23CC[NH2+]C3)c([N+](=O)[O-])cc1Br ZINC001218091705 1032991745 /nfs/dbraw/zinc/99/17/45/1032991745.db2.gz FSUJAQDPGDCSRI-OCCSQVGLSA-N 1 0 356.220 2.972 20 5 FFBDRO O=[N+]([O-])c1cc(Br)cc(O)c1O[C@@H]1CCC[C@@]12CC[NH2+]C2 ZINC001218093525 1032992082 /nfs/dbraw/zinc/99/20/82/1032992082.db2.gz ATWJEZHTRUNFHU-OCCSQVGLSA-N 1 0 357.204 2.974 20 5 FFBDRO COC(=O)[C@@H]1CCC[C@H]1[NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC001117305202 1021648262 /nfs/dbraw/zinc/64/82/62/1021648262.db2.gz PUMKLDSRKKNVSZ-UFGOTCBOSA-N 1 0 369.805 2.507 20 5 FFBDRO O=[N+]([O-])c1cc(O[C@@H]2CC[C@]23CC[NH2+]C3)ccc1I ZINC001218116378 1033002622 /nfs/dbraw/zinc/00/26/22/1033002622.db2.gz JNLWLHYXKAPJRG-CHWSQXEVSA-N 1 0 374.178 2.720 20 5 FFBDRO O=C(NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)c1cc([N+](=O)[O-])n[nH]1 ZINC001117726943 1021841550 /nfs/dbraw/zinc/84/15/50/1021841550.db2.gz KIDHXMAIMLYEQV-MQVJKMGUSA-N 1 0 369.425 2.633 20 5 FFBDRO C[C@@H]1CCC[C@](CNC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)([NH+](C)C)C1 ZINC000116487787 1022406971 /nfs/dbraw/zinc/40/69/71/1022406971.db2.gz AXOUGLVTBQSVIE-KUHUBIRLSA-N 1 0 362.474 2.901 20 5 FFBDRO C[NH+](C)C1(C)CCC(NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001119039277 1022533802 /nfs/dbraw/zinc/53/38/02/1022533802.db2.gz DMDJJVYGOKRXBG-UHFFFAOYSA-N 1 0 360.458 2.925 20 5 FFBDRO C/C(=C/C(=O)N(C)CC[NH+]1CC2(C1)CCOCC2)c1ccc([N+](=O)[O-])cc1 ZINC000829247789 1033061813 /nfs/dbraw/zinc/06/18/13/1033061813.db2.gz RNLFDRHPDOWBIO-SSZFMOIBSA-N 1 0 373.453 2.569 20 5 FFBDRO CC1(C)[C@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)[C@H]2CCC[NH2+][C@H]21 ZINC001119306810 1022668912 /nfs/dbraw/zinc/66/89/12/1022668912.db2.gz HZZXWNCYVMIALE-IAOVAPTHSA-N 1 0 354.410 2.649 20 5 FFBDRO O=C(NC[C@H]1C[NH2+]CCC1(F)F)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC001119383262 1022728578 /nfs/dbraw/zinc/72/85/78/1022728578.db2.gz VZBOKBXAOHOXSL-SNVBAGLBSA-N 1 0 355.366 2.784 20 5 FFBDRO Cc1ccc(C(=O)N[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1[N+](=O)[O-] ZINC001122402687 1023247403 /nfs/dbraw/zinc/24/74/03/1023247403.db2.gz YGTPWSDNKKSVES-UZLBHIALSA-N 1 0 367.405 2.889 20 5 FFBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001120525833 1023350502 /nfs/dbraw/zinc/35/05/02/1023350502.db2.gz VPGNHVDSTLKACX-MRXNPFEDSA-N 1 0 352.822 2.676 20 5 FFBDRO COc1ccc(CC(=O)Nc2ccc(C[NH+](C)C)c(F)c2)cc1[N+](=O)[O-] ZINC000754870648 1023530439 /nfs/dbraw/zinc/53/04/39/1023530439.db2.gz IUOZAKAUSDGHGB-UHFFFAOYSA-N 1 0 361.373 2.985 20 5 FFBDRO C[C@@H]1C[NH2+]CC[C@@H]1Oc1cc([N+](=O)[O-])ccc1I ZINC001218412847 1033143746 /nfs/dbraw/zinc/14/37/46/1033143746.db2.gz GOYXVZZVZWAJAP-KCJUWKMLSA-N 1 0 362.167 2.576 20 5 FFBDRO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000757914583 1023882561 /nfs/dbraw/zinc/88/25/61/1023882561.db2.gz NVIPXYOLKZROPN-UHFFFAOYSA-N 1 0 364.365 2.766 20 5 FFBDRO C[C@@H]1CC[NH2+]C[C@@H]1Oc1ccc(I)c([N+](=O)[O-])c1 ZINC001218483819 1033174456 /nfs/dbraw/zinc/17/44/56/1033174456.db2.gz FPVWBLUEFXUXSF-PELKAZGASA-N 1 0 362.167 2.576 20 5 FFBDRO COc1cccc(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)c1[N+](=O)[O-] ZINC000192581382 1024225606 /nfs/dbraw/zinc/22/56/06/1024225606.db2.gz LPOBDMZARVHUJW-UHFFFAOYSA-N 1 0 361.373 2.734 20 5 FFBDRO CC[NH+](CC)CC[C@H](C)NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC001124048762 1024257053 /nfs/dbraw/zinc/25/70/53/1024257053.db2.gz UQMDMCGTNFDKRN-NSHDSACASA-N 1 0 352.391 2.662 20 5 FFBDRO COc1cccc(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000192829798 1024285833 /nfs/dbraw/zinc/28/58/33/1024285833.db2.gz JFQHYUSZLNYSCH-WBVHZDCISA-N 1 0 355.394 2.779 20 5 FFBDRO Cc1c(C(=O)N(CC[NH+](C)C)C2CCCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000081551918 1024854487 /nfs/dbraw/zinc/85/44/87/1024854487.db2.gz WISJWUZYMCLQIQ-UHFFFAOYSA-N 1 0 364.402 2.758 20 5 FFBDRO CC(C)(C[NH2+]Cc1ccsc1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001101540870 1024884751 /nfs/dbraw/zinc/88/47/51/1024884751.db2.gz YCSGZRRCCLBZAY-HZPDHXFCSA-N 1 0 365.499 2.768 20 5 FFBDRO C[N@H+](CCOC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)Cc1ccccc1 ZINC000837351046 1025739986 /nfs/dbraw/zinc/73/99/86/1025739986.db2.gz NIWCAXQVARCVJK-UHFFFAOYSA-N 1 0 358.350 2.612 20 5 FFBDRO O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@H]1CC[NH2+]C12CCC2 ZINC000638500768 1025868499 /nfs/dbraw/zinc/86/84/99/1025868499.db2.gz QEUHNKBKJBLVMU-IBGZPJMESA-N 1 0 361.445 2.556 20 5 FFBDRO C[N@@H+]1CCC[C@]2(CCN(Cn3cc(-c4cccc([N+](=O)[O-])c4)cn3)C2)C1 ZINC000840086531 1026951137 /nfs/dbraw/zinc/95/11/37/1026951137.db2.gz MQRRNQWXYGQGKM-IBGZPJMESA-N 1 0 355.442 2.834 20 5 FFBDRO CC(C)(C[C@@H]1CCC[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1)C(N)=O ZINC000840106862 1026957647 /nfs/dbraw/zinc/95/76/47/1026957647.db2.gz CKLYEGZFTJQJLI-ZDUSSCGKSA-N 1 0 359.430 2.516 20 5 FFBDRO COC(=O)[C@@]1(C)CCC[N@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000840184321 1027002198 /nfs/dbraw/zinc/00/21/98/1027002198.db2.gz NOYGVUFXGCCAJW-SFHVURJKSA-N 1 0 358.398 2.691 20 5 FFBDRO CC[N@@H+]1CCN(c2nc(C(F)(F)F)nc(Cl)c2[N+](=O)[O-])C(C)(C)C1 ZINC001158561951 1027060477 /nfs/dbraw/zinc/06/04/77/1027060477.db2.gz UJGVSHWCORXIKI-UHFFFAOYSA-N 1 0 367.759 2.978 20 5 FFBDRO CCc1cc(N2CC3(C2)CCC[NH2+]C3)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001159025432 1027234682 /nfs/dbraw/zinc/23/46/82/1027234682.db2.gz TVONMLKAMIAPBL-UHFFFAOYSA-N 1 0 353.426 2.804 20 5 FFBDRO O=[N+]([O-])c1cnc(NCc2ccccc2-c2cccnc2)nc1C1C[NH2+]C1 ZINC001159109671 1027269919 /nfs/dbraw/zinc/26/99/19/1027269919.db2.gz CTHGVWZSODEUIC-UHFFFAOYSA-N 1 0 362.393 2.746 20 5 FFBDRO Cc1cc(NC[C@H]2O[C@@H](C(C)C)O[C@@H]2C[NH3+])nc2ccc([N+](=O)[O-])cc12 ZINC001159238576 1027320705 /nfs/dbraw/zinc/32/07/05/1027320705.db2.gz OLCICIGLHHGOHO-NUJGCVRESA-N 1 0 360.414 2.588 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC2CC(C)(C)[NH+](C)C(C)(C)C2)n1 ZINC001159396249 1027378314 /nfs/dbraw/zinc/37/83/14/1027378314.db2.gz ULNGHTYWPVWHGN-UHFFFAOYSA-N 1 0 350.419 2.840 20 5 FFBDRO CCOC(=O)c1cc(Nc2ccc3c(c2)C[NH2+]CCO3)cc([N+](=O)[O-])c1 ZINC001159796557 1027502892 /nfs/dbraw/zinc/50/28/92/1027502892.db2.gz BOQKZHYXZQOFED-UHFFFAOYSA-N 1 0 357.366 2.997 20 5 FFBDRO COC(=O)c1cnc(-n2c3ccccc3c3c2C[C@H]([NH3+])CC3)c([N+](=O)[O-])c1 ZINC001159946461 1027540923 /nfs/dbraw/zinc/54/09/23/1027540923.db2.gz AKGCLLQZYMQUHV-GFCCVEGCSA-N 1 0 366.377 2.536 20 5 FFBDRO O=C(NCCC1=CC[N@H+](Cc2cc3ccccc3o2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001160097021 1027587925 /nfs/dbraw/zinc/58/79/25/1027587925.db2.gz FGLWZNPPWBZSPN-QZTJIDSGSA-N 1 0 369.421 2.736 20 5 FFBDRO COc1cc2ncnc(-n3c(CC[NH3+])cc4ccccc43)c2cc1[N+](=O)[O-] ZINC001160126291 1027601921 /nfs/dbraw/zinc/60/19/21/1027601921.db2.gz OWEMZKHJRDOXPF-UHFFFAOYSA-N 1 0 363.377 2.992 20 5 FFBDRO Cc1c(Nc2ccccc2CN2CC[NH2+]CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001160296941 1027665080 /nfs/dbraw/zinc/66/50/80/1027665080.db2.gz NUKNWJZALZMPGH-UHFFFAOYSA-N 1 0 371.397 2.960 20 5 FFBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000795707442 1027894475 /nfs/dbraw/zinc/89/44/75/1027894475.db2.gz NLKAJJHICCBLTA-BEFAXECRSA-N 1 0 355.442 2.974 20 5 FFBDRO O=[N+]([O-])c1ccc(NC2CCN([C@H]3CC[NH2+]C3)CC2)nc1-c1ccccc1 ZINC001161471761 1028192562 /nfs/dbraw/zinc/19/25/62/1028192562.db2.gz FRGXUGLBRAYJRD-KRWDZBQOSA-N 1 0 367.453 2.895 20 5 FFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(CC1)CC[NH+](CCCC1CCC1)CC2 ZINC000957547751 1028323820 /nfs/dbraw/zinc/32/38/20/1028323820.db2.gz OPTOWGNVWZDTSB-QZTJIDSGSA-N 1 0 363.502 2.937 20 5 FFBDRO COCCC1([NH3+])CCN(c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)nn2)CC1 ZINC001162042114 1028411244 /nfs/dbraw/zinc/41/12/44/1028411244.db2.gz VFTIILQTPSNXNR-UHFFFAOYSA-N 1 0 371.441 2.694 20 5 FFBDRO COc1cccc(CC2([NH3+])CCN(c3ncc(F)cc3[N+](=O)[O-])CC2)c1 ZINC001162046634 1028412884 /nfs/dbraw/zinc/41/28/84/1028412884.db2.gz YTNOWEYOHZVRMN-UHFFFAOYSA-N 1 0 360.389 2.678 20 5 FFBDRO COc1cccc(CC2([NH3+])CCN(c3cc(OC)c([N+](=O)[O-])cn3)CC2)c1 ZINC001162048236 1028414978 /nfs/dbraw/zinc/41/49/78/1028414978.db2.gz SLYHYZVKRCWCRH-UHFFFAOYSA-N 1 0 372.425 2.547 20 5 FFBDRO C[N@@H+]1CCC[C@@](C)(Nc2nc(C(F)(F)F)nc(Cl)c2[N+](=O)[O-])C1 ZINC001162336422 1028508558 /nfs/dbraw/zinc/50/85/58/1028508558.db2.gz BCENBYPLFOMNOD-LLVKDONJSA-N 1 0 353.732 2.953 20 5 FFBDRO O=[N+]([O-])c1cc2c(Cl)ncnc2c(-n2cncc2C2CC[NH2+]CC2)c1 ZINC001155063626 1028563979 /nfs/dbraw/zinc/56/39/79/1028563979.db2.gz UNSOIDZHUQTIHL-UHFFFAOYSA-N 1 0 358.789 2.844 20 5 FFBDRO O=[N+]([O-])c1ccc(C(F)(F)NC[C@@]2(F)CCCC[NH2+]C2)nc1Cl ZINC001155116382 1028586636 /nfs/dbraw/zinc/58/66/36/1028586636.db2.gz ZGJIRSZENPUMLA-GFCCVEGCSA-N 1 0 352.744 2.764 20 5 FFBDRO CCOC1(OCC)CC[NH2+]C[C@@H]1Nc1ccc2c(cccc2[N+](=O)[O-])n1 ZINC001155227672 1028634777 /nfs/dbraw/zinc/63/47/77/1028634777.db2.gz PYSFYBJCMIJVPO-INIZCTEOSA-N 1 0 360.414 2.686 20 5 FFBDRO O=[N+]([O-])c1c2nsnc2ccc1NCC[C@H]1C[NH2+]Cc2cccn2C1 ZINC001163059882 1028781097 /nfs/dbraw/zinc/78/10/97/1028781097.db2.gz IEKUVCGQAOVAGR-NSHDSACASA-N 1 0 358.427 2.623 20 5 FFBDRO COC(=O)c1c(C)c([N+](=O)[O-])ccc1NCC[C@H]1C[NH2+]Cc2cccn2C1 ZINC001163064723 1028783767 /nfs/dbraw/zinc/78/37/67/1028783767.db2.gz FUCBFXZQGVPHRY-AWEZNQCLSA-N 1 0 372.425 2.713 20 5 FFBDRO O=[N+]([O-])c1ccc2nc(Cl)nc(N[C@H]3CCO[C@@]4(CC[NH2+]C4)C3)c2c1 ZINC001155620061 1028820276 /nfs/dbraw/zinc/82/02/76/1028820276.db2.gz STAVDLCHOBLYKK-QFYYESIMSA-N 1 0 363.805 2.514 20 5 FFBDRO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N(C(C)C)C(C)(C)C[NH3+] ZINC001163186779 1028835583 /nfs/dbraw/zinc/83/55/83/1028835583.db2.gz NHBNIJTWHXOOFI-UHFFFAOYSA-N 1 0 358.826 2.772 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])c(N[C@H]2C[NH2+]Cc3ccsc32)cc1OC ZINC001163230339 1028849367 /nfs/dbraw/zinc/84/93/67/1028849367.db2.gz VNMJBIQXGIBOHY-LBPRGKRZSA-N 1 0 363.395 2.708 20 5 FFBDRO O=C1C[C@@H]2[NH2+]CC[C@@]2(Nc2cnc3c4ccccc4c4ccccc4c3n2)N1 ZINC001163235915 1028850571 /nfs/dbraw/zinc/85/05/71/1028850571.db2.gz GXMCPXGWMBSSQU-HTAPYJJXSA-N 1 0 369.428 2.926 20 5 FFBDRO COc1cccc([C@H](C[NH3+])Nc2nc(SC)nc(Cl)c2[N+](=O)[O-])c1 ZINC001163306920 1028883725 /nfs/dbraw/zinc/88/37/25/1028883725.db2.gz SYTQOWNDHQGKSE-JTQLQIEISA-N 1 0 369.834 2.881 20 5 FFBDRO COC(=O)c1ccc([C@@H]([NH3+])CNc2ncc(Cl)cc2[N+](=O)[O-])cc1 ZINC001163463161 1028935321 /nfs/dbraw/zinc/93/53/21/1028935321.db2.gz ZTFPGABUOSDXOW-LBPRGKRZSA-N 1 0 350.762 2.542 20 5 FFBDRO O=[N+]([O-])c1ccc2nc(N3CCC[N@H+](Cc4ccncc4)CC3)cnc2c1 ZINC001163827422 1029081436 /nfs/dbraw/zinc/08/14/36/1029081436.db2.gz SOTJBKBXFSWQKE-UHFFFAOYSA-N 1 0 364.409 2.645 20 5 FFBDRO CC[N@H+]1[C@H](C)CN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC001163884913 1029103497 /nfs/dbraw/zinc/10/34/97/1029103497.db2.gz NOHXHTAPESBRMG-BETUJISGSA-N 1 0 351.422 2.953 20 5 FFBDRO O=[N+]([O-])c1cnc2ccc(NCc3cccnc3C3CC[NH2+]CC3)cn21 ZINC001163912501 1029113614 /nfs/dbraw/zinc/11/36/14/1029113614.db2.gz YUNBWUIRFPKPQE-UHFFFAOYSA-N 1 0 352.398 2.717 20 5 FFBDRO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1N(C)c1ccc([N+](=O)[O-])c(N)n1 ZINC001156341064 1029155008 /nfs/dbraw/zinc/15/50/08/1029155008.db2.gz AXOVQHZQXBIURK-YOEHRIQHSA-N 1 0 355.442 2.919 20 5 FFBDRO CN(C)/C=C/c1cc(N2CCC3(CC2)CC[NH+](C)CC3)ncc1[N+](=O)[O-] ZINC001156575818 1029253879 /nfs/dbraw/zinc/25/38/79/1029253879.db2.gz QVMDBCXZOBDPFF-RUDMXATFSA-N 1 0 359.474 2.834 20 5 FFBDRO C[C@@H]1CC[C@@]2(CC[N@H+](CN3CC(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)C2)C1 ZINC000781585729 1029290663 /nfs/dbraw/zinc/29/06/63/1029290663.db2.gz IAETVQPVCUYNON-AUUYWEPGSA-N 1 0 372.425 2.833 20 5 FFBDRO Cc1cc(C)c(C[NH2+]CC2(CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c(C)c1 ZINC001164490699 1029294874 /nfs/dbraw/zinc/29/48/74/1029294874.db2.gz SHSSPFVJGOGYFX-SJLPKXTDSA-N 1 0 359.470 2.653 20 5 FFBDRO O=C(NCCC1(C[NH2+]Cc2ccc(F)cc2Cl)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001164490376 1029296106 /nfs/dbraw/zinc/29/61/06/1029296106.db2.gz GYUPFEYEMZNLJV-UKRRQHHQSA-N 1 0 369.824 2.520 20 5 FFBDRO O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001164608512 1029343352 /nfs/dbraw/zinc/34/33/52/1029343352.db2.gz SBZDWTHZULIAQQ-NSHDSACASA-N 1 0 368.224 2.713 20 5 FFBDRO CCC[N@H+]1C[C@H]2CN(c3nc(Cl)nc4ccc([N+](=O)[O-])cc43)C[C@H]2C1 ZINC001157688681 1029645835 /nfs/dbraw/zinc/64/58/35/1029645835.db2.gz FOCUIMQXGIOAMC-TXEJJXNPSA-N 1 0 361.833 2.969 20 5 FFBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N(CC(C)(C)C)C1CC[NH2+]CC1 ZINC001157891615 1029680932 /nfs/dbraw/zinc/68/09/32/1029680932.db2.gz IKNVQLJZSOWEMU-UHFFFAOYSA-N 1 0 364.446 2.771 20 5 FFBDRO [NH3+]Cc1ccc2ncn(-c3cc4ncnc(Cl)c4cc3[N+](=O)[O-])c2c1 ZINC001158006079 1029708017 /nfs/dbraw/zinc/70/80/17/1029708017.db2.gz LZZQHXYPCFRBLM-UHFFFAOYSA-N 1 0 354.757 2.989 20 5 FFBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N(Cc1ccccc1F)[C@H]1CC[C@H]([NH3+])CC1 ZINC001158149045 1029746134 /nfs/dbraw/zinc/74/61/34/1029746134.db2.gz ZIRDFZSWYOBTFW-WKILWMFISA-N 1 0 374.416 2.952 20 5 FFBDRO CSc1nc(Cl)nc(N2CC[N@H+](C)CC23CCCC3)c1[N+](=O)[O-] ZINC001158409814 1029821651 /nfs/dbraw/zinc/82/16/51/1029821651.db2.gz BCZFOAPOVDUMDU-UHFFFAOYSA-N 1 0 357.867 2.825 20 5 FFBDRO Cc1ccc(-c2ccc(N3C[C@@H](CF)[C@H](C4([NH3+])CC4)C3)nn2)cc1[N+](=O)[O-] ZINC001165430761 1029977785 /nfs/dbraw/zinc/97/77/85/1029977785.db2.gz CBFOOHVGQYJPBT-HUUCEWRRSA-N 1 0 371.416 2.873 20 5 FFBDRO Cc1cccc(N(c2ncc([N+](=O)[O-])cc2N)[C@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001165774271 1030119946 /nfs/dbraw/zinc/11/99/46/1030119946.db2.gz CANLCCRIABZKQL-APWZRJJASA-N 1 0 369.425 2.540 20 5 FFBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001142221485 1030181286 /nfs/dbraw/zinc/18/12/86/1030181286.db2.gz FGGBLTJMDFYMNU-ZIAGYGMSSA-N 1 0 371.441 2.835 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])c(NCC2CC[NH+](C(C)C)CC2)cc1OC ZINC001166622885 1030459706 /nfs/dbraw/zinc/45/97/06/1030459706.db2.gz JNXNGDXPXJPYCD-UHFFFAOYSA-N 1 0 365.430 2.922 20 5 FFBDRO C/C(=C/C(=O)Nc1ccnc(OCC[NH+](C)C)c1)c1ccc([N+](=O)[O-])cc1 ZINC000784096279 1030465842 /nfs/dbraw/zinc/46/58/42/1030465842.db2.gz XSMRQDHRYSUVHY-OWBHPGMISA-N 1 0 370.409 2.972 20 5 FFBDRO [NH3+]CCc1ccc(CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000841929335 1030550069 /nfs/dbraw/zinc/55/00/69/1030550069.db2.gz UHAUVNIZBCJRHE-UHFFFAOYSA-N 1 0 368.437 2.970 20 5 FFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001534856212 1069693134 /nfs/dbraw/zinc/69/31/34/1069693134.db2.gz AJBRGQFJWFFFCJ-RHSMWYFYSA-N 1 0 368.437 2.796 20 5 FFBDRO [NH3+][C@@H]1CN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000843378781 1031365510 /nfs/dbraw/zinc/36/55/10/1031365510.db2.gz BCOBFJDBQHLAED-LSDHHAIUSA-N 1 0 374.828 2.613 20 5 FFBDRO [NH3+]C[C@@H]1c2ccccc2CCN1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000843390825 1031371623 /nfs/dbraw/zinc/37/16/23/1031371623.db2.gz FSZMHLURDKGMBW-QGZVFWFLSA-N 1 0 374.828 2.745 20 5 FFBDRO C[NH+]1CCC(CNC(=O)c2c(N)cccc2[N+](=O)[O-])(c2ccccc2)CC1 ZINC001149687340 1031570115 /nfs/dbraw/zinc/57/01/15/1031570115.db2.gz LGJYCJASBDRHIN-UHFFFAOYSA-N 1 0 368.437 2.570 20 5 FFBDRO O=C(c1cccc([N+](=O)[O-])c1Cl)N1CCN[C@@H](c2ccc(O)cc2)C1 ZINC001149932974 1031622006 /nfs/dbraw/zinc/62/20/06/1031622006.db2.gz UHUAVHMJRBZEGO-CQSZACIVSA-N 1 0 361.785 2.741 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ncn(C[N@@H+]3CC[C@H](c4ccccn4)C3)n2)cc1 ZINC000799155905 1031671517 /nfs/dbraw/zinc/67/15/17/1031671517.db2.gz PPXPUCCAVAWLCP-HNNXBMFYSA-N 1 0 350.382 2.695 20 5 FFBDRO O=C(CC[N@@H+]1CC[C@@H](c2ccccn2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000799191051 1031688180 /nfs/dbraw/zinc/68/81/80/1031688180.db2.gz HZKQZUNDPHDUNR-CYBMUJFWSA-N 1 0 358.373 2.947 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)c1ccc(N2CCNC2=O)cc1 ZINC000829750476 1033320093 /nfs/dbraw/zinc/32/00/93/1033320093.db2.gz BFPJMDSSYHXLNQ-ZDUSSCGKSA-N 1 0 370.409 2.984 20 5 FFBDRO CC(C)[N@@H+]1CCC[C@@H](NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)C1 ZINC001138093725 1033733545 /nfs/dbraw/zinc/73/35/45/1033733545.db2.gz WCCKJKZBMWOQGT-SECBINFHSA-N 1 0 358.801 2.572 20 5 FFBDRO C[C@H](NC(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-])c1ccc[nH]1 ZINC001220186817 1034029650 /nfs/dbraw/zinc/02/96/50/1034029650.db2.gz NGUFXGCBHOKPOH-ZDUSSCGKSA-N 1 0 372.429 2.557 20 5 FFBDRO CCC(C)(C)CNC(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001220186286 1034030538 /nfs/dbraw/zinc/03/05/38/1034030538.db2.gz BPLPNNBVCUJRAD-UHFFFAOYSA-N 1 0 363.462 2.904 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCC[C@@H]3CC4(CC[C@@H]32)OCCO4)cc1 ZINC000832054958 1034523142 /nfs/dbraw/zinc/52/31/42/1034523142.db2.gz ZAFVAEOXYNSIEM-NJAFHUGGSA-N 1 0 362.426 2.636 20 5 FFBDRO Cc1ccnc(O[C@@H](C)[C@@H]2CN(Cc3ccccc3)CCO2)c1[N+](=O)[O-] ZINC001226120346 1034534791 /nfs/dbraw/zinc/53/47/91/1034534791.db2.gz UJMUHLCANAPBNE-RDJZCZTQSA-N 1 0 357.410 2.967 20 5 FFBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Oc1ccc([N+](=O)[O-])cc1C(N)=O ZINC001226167326 1034555600 /nfs/dbraw/zinc/55/56/00/1034555600.db2.gz HWGLDVXIGMUPIB-KBXCAEBGSA-N 1 0 369.421 2.983 20 5 FFBDRO O=[N+]([O-])c1cccc(O)c1OC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001226334008 1034633035 /nfs/dbraw/zinc/63/30/35/1034633035.db2.gz QHBVXFNJFOBDGU-MRXNPFEDSA-N 1 0 358.394 2.970 20 5 FFBDRO CC1([NH+]2CCCCC2)CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 ZINC000832224697 1034647866 /nfs/dbraw/zinc/64/78/66/1034647866.db2.gz FYWBTVMNTJGONG-UHFFFAOYSA-N 1 0 364.421 2.797 20 5 FFBDRO CC(=O)O[C@H]1C[C@@H]2C[C@H](Oc3ccc([N+](=O)[O-])cc3Cl)C[C@H]1[N@@H+]2C ZINC001226761789 1034826321 /nfs/dbraw/zinc/82/63/21/1034826321.db2.gz FSJMLKBQUGWHBN-GMZLATJGSA-N 1 0 354.790 2.794 20 5 FFBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Oc1ncc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001227111947 1034939152 /nfs/dbraw/zinc/93/91/52/1034939152.db2.gz ULISROCDVOQZOW-LRDDRELGSA-N 1 0 358.354 2.797 20 5 FFBDRO O=C(CC[N@@H+]1CC[C@@H](F)C1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001139785525 1035232462 /nfs/dbraw/zinc/23/24/62/1035232462.db2.gz VOJOWWLFHKJLAS-GFCCVEGCSA-N 1 0 363.311 2.664 20 5 FFBDRO O=C1CC2(CC[NH+](Cc3ccc4ccc5cccnc5c4n3)CC2)CC(=O)N1 ZINC001232221705 1035504240 /nfs/dbraw/zinc/50/42/40/1035504240.db2.gz DALDOHRKOWITRJ-UHFFFAOYSA-N 1 0 374.444 2.802 20 5 FFBDRO C[C@@H](C[N+](C)(C)C)Oc1ncc(I)c2ccncc21 ZINC001227781578 1035732343 /nfs/dbraw/zinc/73/23/43/1035732343.db2.gz LBVIQHGMEUTGIA-JTQLQIEISA-N 1 0 372.230 2.708 20 5 FFBDRO Cc1cc2[nH]c(O[C@H]3CC[C@@H]([NH+]4CCOCC4)CC3)nc2cc1[N+](=O)[O-] ZINC001228677427 1036249502 /nfs/dbraw/zinc/24/95/02/1036249502.db2.gz PNEUSFZCRDYJPL-OKILXGFUSA-N 1 0 360.414 2.802 20 5 FFBDRO COCC[NH+]1CCC(Oc2c(C(=O)OC)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC001228967605 1036438527 /nfs/dbraw/zinc/43/85/27/1036438527.db2.gz UNNIZRXIDNYCQF-UHFFFAOYSA-N 1 0 372.805 2.524 20 5 FFBDRO CO[C@@H]1CC[N@H+](CCOc2c3ccccc3c([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001229422630 1036665402 /nfs/dbraw/zinc/66/54/02/1036665402.db2.gz CVTYCPSZINVUFC-GFCCVEGCSA-N 1 0 361.354 2.756 20 5 FFBDRO CCc1cc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c(F)cc1Br ZINC001233696969 1036722558 /nfs/dbraw/zinc/72/25/58/1036722558.db2.gz ZTODVAAQKAIMBN-LLVKDONJSA-N 1 0 363.247 2.513 20 5 FFBDRO COC(=O)c1cnc(O[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC001233866121 1036795521 /nfs/dbraw/zinc/79/55/21/1036795521.db2.gz LIJCIZNBZAAGMX-GUYCJALGSA-N 1 0 371.393 2.676 20 5 FFBDRO C[C@@H](C[N+](C)(C)C)Oc1cc([N+](=O)[O-])ccc1I ZINC001229836398 1036925718 /nfs/dbraw/zinc/92/57/18/1036925718.db2.gz SYGKELJBOGCKFJ-VIFPVBQESA-N 1 0 365.191 2.673 20 5 FFBDRO CC(C)c1cc(Br)cc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c1 ZINC001234311261 1036988144 /nfs/dbraw/zinc/98/81/44/1036988144.db2.gz OPRKJLMUSPSSMD-CQSZACIVSA-N 1 0 359.284 2.935 20 5 FFBDRO COc1c(O[C@@H]2CCC[N@H+](C)C2)c2nccc3c4ccccc4n(c32)c1=O ZINC001234719062 1037154779 /nfs/dbraw/zinc/15/47/79/1037154779.db2.gz XRQSJYNZSMKDGZ-CYBMUJFWSA-N 1 0 363.417 2.920 20 5 FFBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cc(F)cc(C(F)(F)F)c1Cl ZINC001234951271 1037256862 /nfs/dbraw/zinc/25/68/62/1037256862.db2.gz HJAUNRYJUYFKFK-SECBINFHSA-N 1 0 358.739 2.861 20 5 FFBDRO CC(=O)O[C@H]1C[C@@H]2C[C@H](Oc3cccc(Cl)c3[N+](=O)[O-])C[C@H]1[N@@H+]2C ZINC001230915313 1037406091 /nfs/dbraw/zinc/40/60/91/1037406091.db2.gz PNXZYKSFSXJVPU-MEDZGJRSSA-N 1 0 354.790 2.794 20 5 FFBDRO CCOC(=O)c1cnn2cc(C[NH2+][C@@H](C)c3ccc([N+](=O)[O-])cc3)cnc12 ZINC001207534793 1037527388 /nfs/dbraw/zinc/52/73/88/1037527388.db2.gz ADKHQADHRHSMSI-LBPRGKRZSA-N 1 0 369.381 2.665 20 5 FFBDRO COc1cc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])c(OC)c3)CC2)ccn1 ZINC001256082177 1038366385 /nfs/dbraw/zinc/36/63/85/1038366385.db2.gz ADVRGBPIFCZIEA-UHFFFAOYSA-N 1 0 372.425 2.766 20 5 FFBDRO COc1cc(N2CCC([NH2+]CCc3nccs3)CC2)ccc1[N+](=O)[O-] ZINC001256082988 1038368912 /nfs/dbraw/zinc/36/89/12/1038368912.db2.gz LWPLNSWAWPQGPH-UHFFFAOYSA-N 1 0 362.455 2.861 20 5 FFBDRO COc1cc(N2CCC([NH2+]C[C@@H](O)c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC001256083860 1038369413 /nfs/dbraw/zinc/36/94/13/1038369413.db2.gz WRBLNKXMKRNFMJ-LJQANCHMSA-N 1 0 371.437 2.895 20 5 FFBDRO COc1cc(N2CCC([NH2+][C@H]3CCN(C(C)C)C3)CC2)ccc1[N+](=O)[O-] ZINC001256087032 1038370697 /nfs/dbraw/zinc/37/06/97/1038370697.db2.gz MQXMRZRLNPCFQF-INIZCTEOSA-N 1 0 362.474 2.645 20 5 FFBDRO COc1cc(N2CCC([NH2+][C@H](C)Cc3cnccn3)CC2)ccc1[N+](=O)[O-] ZINC001256088011 1038373627 /nfs/dbraw/zinc/37/36/27/1038373627.db2.gz URZHFPUPOYPBMJ-CQSZACIVSA-N 1 0 371.441 2.583 20 5 FFBDRO COc1cc(N2CCC([N@@H+]3CC[C@H](C)[C@@H](O)CC3)CC2)ccc1[N+](=O)[O-] ZINC001256092915 1038377231 /nfs/dbraw/zinc/37/72/31/1038377231.db2.gz BAVBIQLQVUHDCF-KSSFIOAISA-N 1 0 363.458 2.665 20 5 FFBDRO COc1cc(N2CCC([N@@H+]3CCC[C@@H](CCO)C3)CC2)ccc1[N+](=O)[O-] ZINC001256100982 1038384010 /nfs/dbraw/zinc/38/40/10/1038384010.db2.gz XDINVAOYTIGVLU-HNNXBMFYSA-N 1 0 363.458 2.667 20 5 FFBDRO COc1cc(N2CCC([N@@H+]3CCC[C@H]4CN(C)C[C@@H]43)CC2)ccc1[N+](=O)[O-] ZINC001256100864 1038385219 /nfs/dbraw/zinc/38/52/19/1038385219.db2.gz RHHGCIFOZYNJAW-KXBFYZLASA-N 1 0 374.485 2.598 20 5 FFBDRO Cc1cc(C)c(S(=O)(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)cc1[N+](=O)[O-] ZINC001209567393 1038999576 /nfs/dbraw/zinc/99/95/76/1038999576.db2.gz MLUDJPHWFUEUBX-INIZCTEOSA-N 1 0 371.503 2.856 20 5 FFBDRO C[C@H]1C[NH+](CCc2nnc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C[C@H](C)O1 ZINC001258147313 1039229510 /nfs/dbraw/zinc/22/95/10/1039229510.db2.gz YIFCUCIAPSHXAI-QWRGUYRKSA-N 1 0 366.805 2.950 20 5 FFBDRO C[C@H]1C[NH+](CCc2nnc(-c3cc(Cl)cc([N+](=O)[O-])c3)o2)C[C@H](C)O1 ZINC001258150658 1039231678 /nfs/dbraw/zinc/23/16/78/1039231678.db2.gz AUOQCAWXKLONLC-QWRGUYRKSA-N 1 0 366.805 2.950 20 5 FFBDRO O=C(NCCC[NH2+][C@H]1CCCNC1)c1c2ccccc2nc2ccccc21 ZINC001246482675 1039365681 /nfs/dbraw/zinc/36/56/81/1039365681.db2.gz HXXJZRFJXXTHDD-INIZCTEOSA-N 1 0 362.477 2.850 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CCC[C@]23CCC[NH2+]C3)c1F ZINC001246609667 1039414958 /nfs/dbraw/zinc/41/49/58/1039414958.db2.gz MMRMEVSYINBMOP-ACJLOTCBSA-N 1 0 351.422 2.892 20 5 FFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001246879258 1039515372 /nfs/dbraw/zinc/51/53/72/1039515372.db2.gz NVMNJJJHBNLINN-SCWSEQNSSA-N 1 0 351.450 2.999 20 5 FFBDRO CC1(C)CC[N@H+](CCNC(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)C1 ZINC001537668758 1070230926 /nfs/dbraw/zinc/23/09/26/1070230926.db2.gz VMLIMGSHUAKADK-UHFFFAOYSA-N 1 0 356.426 2.792 20 5 FFBDRO C[NH+](C)Cc1ccc(-c2noc([C@@H](N)Cc3ccccc3[N+](=O)[O-])n2)cc1 ZINC001247665285 1039873894 /nfs/dbraw/zinc/87/38/94/1039873894.db2.gz GRZBAUBBPMITMF-INIZCTEOSA-N 1 0 367.409 2.949 20 5 FFBDRO O=[N+]([O-])c1cc(Cc2nc(-c3ccc4c(n3)CC[NH2+]C4)no2)ccc1Cl ZINC001248378986 1040249669 /nfs/dbraw/zinc/24/96/69/1040249669.db2.gz GDOJDYOGAWDNLN-UHFFFAOYSA-N 1 0 371.784 2.930 20 5 FFBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@H]2CC[N@@H+]2C2CCCCCC2)c1 ZINC001213444734 1040559968 /nfs/dbraw/zinc/55/99/68/1040559968.db2.gz QKFZAXYFKDIQLH-MRXNPFEDSA-N 1 0 367.471 2.670 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1Cc1nc(-c2ccc3c(n2)CC[NH2+]C3)no1 ZINC001249096958 1040579854 /nfs/dbraw/zinc/57/98/54/1040579854.db2.gz VFZRZELZVKYRGN-UHFFFAOYSA-N 1 0 351.366 2.585 20 5 FFBDRO Cn1ncc2ccc(-c3noc(C[C@@H]([NH3+])c4ccccc4[N+](=O)[O-])n3)cc21 ZINC001249342708 1040692331 /nfs/dbraw/zinc/69/23/31/1040692331.db2.gz RHHBHNLMLPZRCW-CQSZACIVSA-N 1 0 364.365 2.774 20 5 FFBDRO COc1cccc(CC[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC001254464845 1040734469 /nfs/dbraw/zinc/73/44/69/1040734469.db2.gz KJIHGXWEFFCWGZ-UHFFFAOYSA-N 1 0 356.426 2.800 20 5 FFBDRO COC(=O)[C@H]1CCCC[C@@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254472571 1040738334 /nfs/dbraw/zinc/73/83/34/1040738334.db2.gz FAHXRPOPBIEZBZ-ROUUACIJSA-N 1 0 361.442 2.885 20 5 FFBDRO COC(=O)[C@H]1CCC[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)[C@H]1C ZINC001254479693 1040744498 /nfs/dbraw/zinc/74/44/98/1040744498.db2.gz HWLIDPOPHJSTBW-KSSFIOAISA-N 1 0 361.442 2.837 20 5 FFBDRO CC(C)C(=O)NC1CC[NH+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001254479351 1040745566 /nfs/dbraw/zinc/74/55/66/1040745566.db2.gz YVUFMFGEWSBRJU-UHFFFAOYSA-N 1 0 374.485 2.800 20 5 FFBDRO COCCN1CC[N@@H+]([C@H](C)Cc2ccccc2[N+](=O)[O-])Cc2cccnc21 ZINC001254557332 1040797099 /nfs/dbraw/zinc/79/70/99/1040797099.db2.gz PPODURYJSAAUIJ-MRXNPFEDSA-N 1 0 370.453 2.889 20 5 FFBDRO C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254567850 1040806378 /nfs/dbraw/zinc/80/63/78/1040806378.db2.gz PQTSLYCICSMCSB-MJEQTWJJSA-N 1 0 361.442 2.907 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]Cc1cccc(OC3CCOCC3)n1)C2 ZINC001254580122 1040811958 /nfs/dbraw/zinc/81/19/58/1040811958.db2.gz CDKVACDLQUBWNI-QGZVFWFLSA-N 1 0 369.421 2.805 20 5 FFBDRO CCOC(=O)Cc1ccc(C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC001254585373 1040816416 /nfs/dbraw/zinc/81/64/16/1040816416.db2.gz WFZRWBUPZSRBRC-SFHVURJKSA-N 1 0 354.406 2.957 20 5 FFBDRO [NH3+][C@H]1CC[C@H](N(c2ccncn2)[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254587098 1040818519 /nfs/dbraw/zinc/81/85/19/1040818519.db2.gz VLQVWHKTNQLBPT-BQFCYCMXSA-N 1 0 353.426 2.629 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]CC1(c3ccc(F)cn3)CCOCC1)C2 ZINC001254586496 1040818761 /nfs/dbraw/zinc/81/87/61/1040818761.db2.gz KLEQFUKQIMGIDX-KRWDZBQOSA-N 1 0 371.412 2.934 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1C[C@H]3CN(Cc4ccccn4)C[C@H]3C1)C2 ZINC001254596681 1040824343 /nfs/dbraw/zinc/82/43/43/1040824343.db2.gz QETVJCVPVMIFKN-UEXGIBASSA-N 1 0 364.449 2.521 20 5 FFBDRO CC(C)C(=O)N1CCC[C@@]12CC[N@@H+]([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254599055 1040830472 /nfs/dbraw/zinc/83/04/72/1040830472.db2.gz JWXGCJJTWCCQJH-QUCCMNQESA-N 1 0 357.454 2.785 20 5 FFBDRO O=C(NC1CC[NH+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1)N1CCCCC1 ZINC001254611284 1040838611 /nfs/dbraw/zinc/83/86/11/1040838611.db2.gz PBRVPNZIVHOELZ-IBGZPJMESA-N 1 0 372.469 2.722 20 5 FFBDRO CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@H]21 ZINC001254610635 1040839862 /nfs/dbraw/zinc/83/98/62/1040839862.db2.gz LWUUXAVMBHRENC-BHYGNILZSA-N 1 0 359.426 2.613 20 5 FFBDRO Cc1nccnc1O[C@@H]1CCC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254611800 1040841916 /nfs/dbraw/zinc/84/19/16/1040841916.db2.gz TUQCUNWPNNYOSK-QZTJIDSGSA-N 1 0 354.410 2.704 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCN(c3cc[nH+]cc3)C[C@@H]2C)c1C ZINC001537990458 1070313948 /nfs/dbraw/zinc/31/39/48/1070313948.db2.gz OKSBMLCGTKYYIN-AWEZNQCLSA-N 1 0 354.410 2.958 20 5 FFBDRO CC(C)(C)c1ccc(C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)cc1[N+](=O)[O-] ZINC001262049622 1041531907 /nfs/dbraw/zinc/53/19/07/1041531907.db2.gz ZYDHZEGZGIECQZ-LBPRGKRZSA-N 1 0 355.385 2.867 20 5 FFBDRO C[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(NC(N)=O)cc1 ZINC001262557848 1041718919 /nfs/dbraw/zinc/71/89/19/1041718919.db2.gz NVHBWAZFTFTMKM-GFCCVEGCSA-N 1 0 371.397 2.765 20 5 FFBDRO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3c([N+](=O)[O-])cccc3C(F)(F)F)[C@@H]2C1 ZINC001262826959 1041880685 /nfs/dbraw/zinc/88/06/85/1041880685.db2.gz UFBXPGHMMCGYMV-HOSYDEDBSA-N 1 0 357.332 2.684 20 5 FFBDRO CCn1c([C@@H]2CCC[N@H+](C)C2)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001263037001 1042054018 /nfs/dbraw/zinc/05/40/18/1042054018.db2.gz MYFGGVHNFWWLAM-OAHLLOKOSA-N 1 0 370.457 2.578 20 5 FFBDRO [NH3+]CC[C@H]1CN(C(=O)CCOc2ccccc2[N+](=O)[O-])c2ccccc21 ZINC001263173774 1042148560 /nfs/dbraw/zinc/14/85/60/1042148560.db2.gz JTTKLBPCWAPULL-AWEZNQCLSA-N 1 0 355.394 2.843 20 5 FFBDRO [NH3+]C[C@@]12CC[C@H]1CCCN2C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC001263238511 1042192530 /nfs/dbraw/zinc/19/25/30/1042192530.db2.gz MYFAELNTWDZOON-BMIGLBTASA-N 1 0 368.231 2.701 20 5 FFBDRO CSc1cccc(C(=O)OC[C@@H]2CC[N@@H+]2C2CCOCC2)c1[N+](=O)[O-] ZINC001263619611 1042404376 /nfs/dbraw/zinc/40/43/76/1042404376.db2.gz AJYQYZPVQOURTQ-ZDUSSCGKSA-N 1 0 366.439 2.727 20 5 FFBDRO CC[NH+](CC)CC[C@H](CO)NC(=O)Nc1ccc([N+](=O)[O-])c2ccccc12 ZINC001311330671 1043890096 /nfs/dbraw/zinc/89/00/96/1043890096.db2.gz KVZGCVSNQGECRA-CQSZACIVSA-N 1 0 374.441 2.962 20 5 FFBDRO CC[NH+](CC)C1CCN(c2ccc([N+](=O)[O-])cc2N2CCOC2=O)CC1 ZINC001320036219 1045333613 /nfs/dbraw/zinc/33/36/13/1045333613.db2.gz DDMZAIWIESKCPC-UHFFFAOYSA-N 1 0 362.430 2.862 20 5 FFBDRO Cc1c(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)ccc2c[nH+]cn21 ZINC001323520140 1045623050 /nfs/dbraw/zinc/62/30/50/1045623050.db2.gz JKROZUJGKZVHLP-UHFFFAOYSA-N 1 0 365.393 2.513 20 5 FFBDRO C[C@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001539746625 1070691733 /nfs/dbraw/zinc/69/17/33/1070691733.db2.gz QMAJNQNXWIERAV-BBRMVZONSA-N 1 0 351.422 2.998 20 5 FFBDRO CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001321777862 1045797641 /nfs/dbraw/zinc/79/76/41/1045797641.db2.gz IYFGJOREWYEKJS-UHFFFAOYSA-N 1 0 358.446 2.794 20 5 FFBDRO Cc1cncc([N+](=O)[O-])c1NC1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC001323158616 1046365428 /nfs/dbraw/zinc/36/54/28/1046365428.db2.gz LTQDGYGMAWQLCX-UHFFFAOYSA-N 1 0 374.416 2.815 20 5 FFBDRO O=[N+]([O-])c1ccccc1C1=NO[C@H](c2nc([C@@H]3C[NH+]4CCC3CC4)no2)C1 ZINC001325471715 1046518854 /nfs/dbraw/zinc/51/88/54/1046518854.db2.gz ZSZHWOCKSKCQCE-CJNGLKHVSA-N 1 0 369.381 2.653 20 5 FFBDRO CC[NH+](CC)[C@@H](CNC(=O)c1cc([N+](=O)[O-])cc(C)n1)Cc1ccccc1 ZINC001540509839 1070913435 /nfs/dbraw/zinc/91/34/35/1070913435.db2.gz VUTSRUXFUJHCQX-GOSISDBHSA-N 1 0 370.453 2.981 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)n1 ZINC001290115882 1047835649 /nfs/dbraw/zinc/83/56/49/1047835649.db2.gz HVAJEERKRXXSPG-SFHVURJKSA-N 1 0 354.410 2.865 20 5 FFBDRO C[NH2+][C@@H](C)CCNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC001332172874 1048280429 /nfs/dbraw/zinc/28/04/29/1048280429.db2.gz ARIRKCMYZJWCDV-AWEZNQCLSA-N 1 0 356.426 2.935 20 5 FFBDRO C[NH2+]C[C@H]1CCCCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC001333683884 1049054162 /nfs/dbraw/zinc/05/41/62/1049054162.db2.gz REALEQOGACIGNZ-SNVBAGLBSA-N 1 0 374.210 2.711 20 5 FFBDRO O=C(NCc1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC001333731157 1049086124 /nfs/dbraw/zinc/08/61/24/1049086124.db2.gz PADNJQLWUBHZFD-STQMWFEESA-N 1 0 368.231 2.504 20 5 FFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CCc3ccnn3-c3ccccc3)C2)c1 ZINC001334317636 1049369267 /nfs/dbraw/zinc/36/92/67/1049369267.db2.gz DMBRSWJNLAQCKV-UHFFFAOYSA-N 1 0 352.398 2.513 20 5 FFBDRO C[NH+]1C[C@@]2(C)CN(c3ncnc4c(Cl)cc([N+](=O)[O-])cc43)C[C@]2(C)C1 ZINC001307178587 1049812088 /nfs/dbraw/zinc/81/20/88/1049812088.db2.gz DOGSCCQBZOSLGX-IRXDYDNUSA-N 1 0 361.833 2.969 20 5 FFBDRO O=[N+]([O-])c1cnc(N2CC[NH2+][C@@H](c3ccc(O)cc3)C2)c(C(F)(F)F)c1 ZINC001307199520 1049988547 /nfs/dbraw/zinc/98/85/47/1049988547.db2.gz UCLVYHKCVXFBIE-CQSZACIVSA-N 1 0 368.315 2.865 20 5 FFBDRO CS[C@H]1CN(C(=O)CCc2c(Cl)cccc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC001295851279 1049991151 /nfs/dbraw/zinc/99/11/51/1049991151.db2.gz FCWQFHDVSGCQFE-CABCVRRESA-N 1 0 371.890 2.685 20 5 FFBDRO [NH3+][C@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[C@@H]1C(F)(F)F ZINC001341707500 1050327215 /nfs/dbraw/zinc/32/72/15/1050327215.db2.gz DNUNKHWICYFTNT-UWVGGRQHSA-N 1 0 351.712 2.600 20 5 FFBDRO COC(=O)[C@@H]1CCC[C@H]1[NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC001342050256 1050649363 /nfs/dbraw/zinc/64/93/63/1050649363.db2.gz AEWAVRLBUQAQNM-UFGOTCBOSA-N 1 0 369.805 2.507 20 5 FFBDRO O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001342093199 1050686648 /nfs/dbraw/zinc/68/66/48/1050686648.db2.gz ZOBZQNCYVRCBOM-LBPRGKRZSA-N 1 0 355.341 2.507 20 5 FFBDRO O=C(Cc1ccccc1[N+](=O)[O-])N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC001342231449 1050821555 /nfs/dbraw/zinc/82/15/55/1050821555.db2.gz GKEDUZAVSIAEFB-UZLBHIALSA-N 1 0 367.405 2.509 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N3CC[C@H](CC[NH3+])C3)cc2[N+](=O)[O-])CC1 ZINC001342647153 1051253683 /nfs/dbraw/zinc/25/36/83/1051253683.db2.gz YIXOXXYGYKJWLR-HNNXBMFYSA-N 1 0 360.458 2.642 20 5 FFBDRO C[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H]1C)[NH+](C)C ZINC001303697102 1051427079 /nfs/dbraw/zinc/42/70/79/1051427079.db2.gz WDXRYJHSILMJCP-KBPBESRZSA-N 1 0 358.446 2.792 20 5 FFBDRO C[C@H](CNC(=O)[C@@]1(c2ccccc2)CC[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC001342946028 1051560494 /nfs/dbraw/zinc/56/04/94/1051560494.db2.gz YTVMDSZZACIHFD-QRWLVFNGSA-N 1 0 353.422 2.746 20 5 FFBDRO CC[C@H](CO)[NH+]1CCN(c2c3cccc(Cl)c3ncc2[N+](=O)[O-])CC1 ZINC001306983541 1052231571 /nfs/dbraw/zinc/23/15/71/1052231571.db2.gz ZLEQPXPIGQYTFR-GFCCVEGCSA-N 1 0 364.833 2.689 20 5 FFBDRO Nc1cc(N)[nH+]c(SCc2c(Br)cccc2[N+](=O)[O-])n1 ZINC001307264334 1052276757 /nfs/dbraw/zinc/27/67/57/1052276757.db2.gz VLPROKVRGXFAJQ-UHFFFAOYSA-N 1 0 356.205 2.604 20 5 FFBDRO COC(=O)C(C)(C)C[N@H+](CC(C)C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001308033042 1052388291 /nfs/dbraw/zinc/38/82/91/1052388291.db2.gz NFVMNNUYRQPBRX-INIZCTEOSA-N 1 0 352.431 2.785 20 5 FFBDRO COc1ccccc1OCCC[NH2+]Cc1cc(OC)c(O)cc1[N+](=O)[O-] ZINC001308250807 1052436885 /nfs/dbraw/zinc/43/68/85/1052436885.db2.gz ZINWKBJQGQIZRI-UHFFFAOYSA-N 1 0 362.382 2.876 20 5 FFBDRO CC1(C)CCC[C@@H](C[NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC001308258635 1052438401 /nfs/dbraw/zinc/43/84/01/1052438401.db2.gz ACHBVSQNINKAKO-CQSZACIVSA-N 1 0 369.487 2.679 20 5 FFBDRO Cc1cc(NC(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)cc([N+](=O)[O-])c1 ZINC001345489506 1052471069 /nfs/dbraw/zinc/47/10/69/1052471069.db2.gz STWADWSGAHOEBW-CQSZACIVSA-N 1 0 362.430 2.620 20 5 FFBDRO CCCCO[C@H]1C[C@H]([NH2+][C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC001308931130 1052520797 /nfs/dbraw/zinc/52/07/97/1052520797.db2.gz NZEIFZNOUGRXMU-VSZNYVQBSA-N 1 0 366.458 2.563 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)[NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)cc1 ZINC001308932460 1052522243 /nfs/dbraw/zinc/52/22/43/1052522243.db2.gz YPGIGIKWIPMAFC-MCYKXBRJSA-N 1 0 371.437 2.700 20 5 FFBDRO Cc1nn(C)c(C)c1[C@H](O)C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC001308979118 1052530817 /nfs/dbraw/zinc/53/08/17/1052530817.db2.gz RUOWDVZJBKWPNS-VDZJLULYSA-N 1 0 372.469 2.980 20 5 FFBDRO CCc1ccc(S(=O)(=O)NCCC[N@@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC001309015862 1052539671 /nfs/dbraw/zinc/53/96/71/1052539671.db2.gz KCQNBLVQZGLLKF-CQSZACIVSA-N 1 0 369.487 2.700 20 5 FFBDRO Cc1cc(NC[C@H](O)c2ccc([N+](=O)[O-])cc2)ccc1N1CC[NH+](C)CC1 ZINC001345616485 1052540081 /nfs/dbraw/zinc/54/00/81/1052540081.db2.gz CRPUHFAIGJBAKS-FQEVSTJZSA-N 1 0 370.453 2.801 20 5 FFBDRO CN(CC[NH+]1CCCC1)C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001542841794 1071319563 /nfs/dbraw/zinc/31/95/63/1071319563.db2.gz HAKIDWCXUBVAMU-UHFFFAOYSA-N 1 0 354.410 2.825 20 5 FFBDRO COCC[NH+]1CCC(NC(=O)Nc2ccc([N+](=O)[O-])c3ccccc23)CC1 ZINC001346631373 1053168872 /nfs/dbraw/zinc/16/88/72/1053168872.db2.gz XMGAZVIQVAKVTI-UHFFFAOYSA-N 1 0 372.425 2.980 20 5 FFBDRO Cc1cc(C)cc(OC[C@@H](O)C[NH2+]CCNc2ccc([N+](=O)[O-])cc2)c1 ZINC001335315163 1053292315 /nfs/dbraw/zinc/29/23/15/1053292315.db2.gz UFTBQVILCWTUBM-SFHVURJKSA-N 1 0 359.426 2.653 20 5 FFBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC001335452854 1053374575 /nfs/dbraw/zinc/37/45/75/1053374575.db2.gz QGMWCSQVGMQEFK-IBGZPJMESA-N 1 0 360.458 2.845 20 5 FFBDRO C[C@H](CNC(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)c1ccccc1[N+](=O)[O-] ZINC001335681540 1053502081 /nfs/dbraw/zinc/50/20/81/1053502081.db2.gz UVKUGBJCFQIQDU-OAGGEKHMSA-N 1 0 360.458 2.729 20 5 FFBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CN1CCC([C@H]2CCCCO2)CC1 ZINC001347242614 1053752406 /nfs/dbraw/zinc/75/24/06/1053752406.db2.gz GPSQORRBFLZHDZ-MRXNPFEDSA-N 1 0 361.398 2.741 20 5 FFBDRO Nc1c(C(=O)NC2CC[NH+](CC3CC3)CC2)cc(Cl)c(F)c1[N+](=O)[O-] ZINC001543229060 1071420619 /nfs/dbraw/zinc/42/06/19/1071420619.db2.gz XLCHPGSIWATFLO-UHFFFAOYSA-N 1 0 370.812 2.574 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@H]2CN(c3c(Br)cncc3[N+](=O)[O-])C[C@@H]2C1 ZINC001352098512 1055190226 /nfs/dbraw/zinc/19/02/26/1055190226.db2.gz HTDOHPYIVYLZGR-SDDRHHMPSA-N 1 0 369.263 2.919 20 5 FFBDRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001349833943 1055492745 /nfs/dbraw/zinc/49/27/45/1055492745.db2.gz NYGNNSDUIWXAQT-ROUUACIJSA-N 1 0 358.442 2.679 20 5 FFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC001349915540 1055538199 /nfs/dbraw/zinc/53/81/99/1055538199.db2.gz CAJZCJCBMIJOCJ-QGZVFWFLSA-N 1 0 351.834 2.783 20 5 FFBDRO O=C(NCC1CC[NH+](CC2CC2)CC1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001350394903 1055755358 /nfs/dbraw/zinc/75/53/58/1055755358.db2.gz UFXIRTFTSLIGFU-UHFFFAOYSA-N 1 0 358.442 2.742 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N[C@H]3C[NH+]4CCC3CC4)cc2[N+](=O)[O-])CC1 ZINC001339102856 1056093252 /nfs/dbraw/zinc/09/32/52/1056093252.db2.gz ZPGYESOVBGYZNM-KRWDZBQOSA-N 1 0 372.469 2.655 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(C)c2)n1 ZINC001351339093 1056208802 /nfs/dbraw/zinc/20/88/02/1056208802.db2.gz OJZORLNLSGIUKB-UHFFFAOYSA-N 1 0 369.425 2.611 20 5 FFBDRO C[C@H](c1nnc(N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)n1C)[N+](=O)[O-] ZINC001339541939 1056564745 /nfs/dbraw/zinc/56/47/45/1056564745.db2.gz NGULZRXXTDXTFV-HUUCEWRRSA-N 1 0 364.494 2.634 20 5 FFBDRO C[C@H]1C[C@@H](NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])CC[N@@H+]1C ZINC001545105638 1071733807 /nfs/dbraw/zinc/73/38/07/1071733807.db2.gz MSGPALLXPWJZKR-ZFWWWQNUSA-N 1 0 354.410 2.869 20 5 FFBDRO C[C@H](c1nnc(N(C)CC[NH+]2CCCCC2)n1Cc1ccccc1)[N+](=O)[O-] ZINC001354298004 1058826929 /nfs/dbraw/zinc/82/69/29/1058826929.db2.gz PVPJTMNDCDRBGV-MRXNPFEDSA-N 1 0 372.473 2.586 20 5 FFBDRO CC[C@H](C)[N@H+](C)CCn1c(C)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001545660247 1071828326 /nfs/dbraw/zinc/82/83/26/1071828326.db2.gz VPPJYFXJFNHIIM-AWEZNQCLSA-N 1 0 372.473 2.788 20 5 FFBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccc(Nc2cc[nH+]cc2)cc1 ZINC001452747193 1059291943 /nfs/dbraw/zinc/29/19/43/1059291943.db2.gz JJFAVTWRKSQWKL-UHFFFAOYSA-N 1 0 366.381 2.689 20 5 FFBDRO C[C@@H](C(=O)OC[C@H]1CC[N@@H+]1C1CCOCC1)c1ccc([N+](=O)[O-])cc1F ZINC001520069482 1059373369 /nfs/dbraw/zinc/37/33/69/1059373369.db2.gz RAYRNTCJXCILSU-IUODEOHRSA-N 1 0 366.389 2.634 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C[C@H]1C ZINC001520129939 1059417051 /nfs/dbraw/zinc/41/70/51/1059417051.db2.gz XEIZKAUHCJOMQZ-OLZOCXBDSA-N 1 0 350.419 2.940 20 5 FFBDRO C[NH+](C)[C@@H]1C[C@@H](NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC001454173661 1059454336 /nfs/dbraw/zinc/45/43/36/1059454336.db2.gz NBJGKZDMQPZEAE-ZIAGYGMSSA-N 1 0 353.369 2.676 20 5 FFBDRO C[NH+]1CCC(CNC(=O)c2cccc([N+](=O)[O-])c2N)(c2ccccc2)CC1 ZINC001454283789 1059484755 /nfs/dbraw/zinc/48/47/55/1059484755.db2.gz DSVVNBGIPSQUSF-UHFFFAOYSA-N 1 0 368.437 2.570 20 5 FFBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001454588267 1059576698 /nfs/dbraw/zinc/57/66/98/1059576698.db2.gz SJQLAHGIYNVJAW-HNNXBMFYSA-N 1 0 371.462 2.973 20 5 FFBDRO CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[N@H+]1CC=CCC1 ZINC001515363981 1059619851 /nfs/dbraw/zinc/61/98/51/1059619851.db2.gz WMZDEDYGZWQHJO-UHFFFAOYSA-N 1 0 356.430 2.571 20 5 FFBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)C1 ZINC000848587542 1060317350 /nfs/dbraw/zinc/31/73/50/1060317350.db2.gz JHXFRLKGRDFVCU-CYBMUJFWSA-N 1 0 371.384 2.757 20 5 FFBDRO O=C(NC1CC([NH+]2CCCCC2)C1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848588940 1060319761 /nfs/dbraw/zinc/31/97/61/1060319761.db2.gz AKJLVDVQEBFIRL-UHFFFAOYSA-N 1 0 369.368 2.700 20 5 FFBDRO CN(CCC[N@H+](C)Cc1ccncc1)c1nc2ccccn2c1[N+](=O)[O-] ZINC001458470281 1060597157 /nfs/dbraw/zinc/59/71/57/1060597157.db2.gz UHMUAQYSBTVHNA-UHFFFAOYSA-N 1 0 354.414 2.596 20 5 FFBDRO C[C@H]1[C@H](Nc2c3ccc(Br)cc3ncc2[N+](=O)[O-])CC[N@@H+]1C ZINC001458615568 1060634586 /nfs/dbraw/zinc/63/45/86/1060634586.db2.gz RWBAJUOLWPVNOH-JOYOIKCWSA-N 1 0 365.231 2.832 20 5 FFBDRO Cc1ccc(S(=O)(=O)NCC2(C[NH+](C)C)CCCC2)c(C)c1[N+](=O)[O-] ZINC001475179124 1060983254 /nfs/dbraw/zinc/98/32/54/1060983254.db2.gz BIEKIETWWGONRK-UHFFFAOYSA-N 1 0 369.487 2.612 20 5 FFBDRO COc1cccc2c1CC[C@]2(CO)[NH2+]CCCOc1ccc([N+](=O)[O-])cc1 ZINC001460697309 1061066857 /nfs/dbraw/zinc/06/68/57/1061066857.db2.gz VJVIMCHIGGBFRW-HXUWFJFHSA-N 1 0 372.421 2.796 20 5 FFBDRO CCCCN(c1ccncc1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC001475578932 1061147284 /nfs/dbraw/zinc/14/72/84/1061147284.db2.gz WLRQDKWHLWNOPS-UHFFFAOYSA-N 1 0 365.411 2.994 20 5 FFBDRO CN(c1ccccc1)c1ccc(C[NH2+]C(C)(C)CNC(N)=O)cc1[N+](=O)[O-] ZINC001461793164 1061407066 /nfs/dbraw/zinc/40/70/66/1061407066.db2.gz BODQLJPSRZJKKB-UHFFFAOYSA-N 1 0 371.441 2.899 20 5 FFBDRO O=[N+]([O-])c1ccc2oc(CNc3cccc(C[N@H+]4CC[C@@H](O)C4)c3)nc2c1 ZINC001462277373 1061566371 /nfs/dbraw/zinc/56/63/71/1061566371.db2.gz VIWNOMWYHGQMJX-MRXNPFEDSA-N 1 0 368.393 2.915 20 5 FFBDRO [NH3+]Cc1ccc2c(c1)N(C(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)CCO2 ZINC001522249101 1061803647 /nfs/dbraw/zinc/80/36/47/1061803647.db2.gz LEYUVKRXQXBLRA-CVEARBPZSA-N 1 0 353.378 2.583 20 5 FFBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC1CCN(c2cc[nH+]cc2)CC1 ZINC001523753630 1062609268 /nfs/dbraw/zinc/60/92/68/1062609268.db2.gz QRUDVGPTEOLKAH-UHFFFAOYSA-N 1 0 369.425 2.800 20 5 FFBDRO CC[NH+](CC)CC[C@@H](C)NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC001464865578 1062880548 /nfs/dbraw/zinc/88/05/48/1062880548.db2.gz MZUAGUYAIARUQV-LLVKDONJSA-N 1 0 363.867 2.647 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)n1 ZINC001440680614 1063336870 /nfs/dbraw/zinc/33/68/70/1063336870.db2.gz IDXQGKFXWIBTPM-UHFFFAOYSA-N 1 0 354.410 2.824 20 5 FFBDRO C[C@@H]1C[N@@H+](CCCNC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC001440828717 1063360783 /nfs/dbraw/zinc/36/07/83/1063360783.db2.gz RSUPPUWNVUCVIW-PHIMTYICSA-N 1 0 373.812 2.616 20 5 FFBDRO CCC[C@@H]1CN(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)CC[N@@H+]1CCOC ZINC001466676406 1063517606 /nfs/dbraw/zinc/51/76/06/1063517606.db2.gz FSQGWQXMRQFHRD-CQSZACIVSA-N 1 0 368.409 2.699 20 5 FFBDRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)Nc1ccc([N+](=O)[O-])c2ccccc12 ZINC001467548689 1063777938 /nfs/dbraw/zinc/77/79/38/1063777938.db2.gz UNSJGDYHXKYREI-KGLIPLIRSA-N 1 0 370.409 2.733 20 5 FFBDRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1)C2 ZINC001468184121 1063939788 /nfs/dbraw/zinc/93/97/88/1063939788.db2.gz WTQZPDBWRVIOLD-KRWDZBQOSA-N 1 0 351.834 2.735 20 5 FFBDRO C[N@@H+]1CCN(C(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)CCC1(C)C ZINC001470651207 1064398039 /nfs/dbraw/zinc/39/80/39/1064398039.db2.gz VOPAWCWHAVIYSB-UHFFFAOYSA-N 1 0 356.426 2.887 20 5 FFBDRO CC1CC[NH+](CC[C@@H]2CCCN2C(=O)c2[nH]nc([N+](=O)[O-])c2Cl)CC1 ZINC001471160766 1064584571 /nfs/dbraw/zinc/58/45/71/1064584571.db2.gz VESBLZNQUWTUAZ-LBPRGKRZSA-N 1 0 369.853 2.698 20 5 FFBDRO CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001472035795 1064902326 /nfs/dbraw/zinc/90/23/26/1064902326.db2.gz OMOAISDYMJKZJF-CQSZACIVSA-N 1 0 353.850 2.979 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(N2CCc3cc(F)ccc32)CC1 ZINC001473426387 1065260922 /nfs/dbraw/zinc/26/09/22/1065260922.db2.gz ZWMBBKSQVBIAFT-UHFFFAOYSA-N 1 0 373.432 2.766 20 5 FFBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@@H]3COC4(CCCCC4)O3)CC2)n1 ZINC001473442246 1065262315 /nfs/dbraw/zinc/26/23/15/1065262315.db2.gz ZZRHTDJQPMWQBF-OAHLLOKOSA-N 1 0 350.419 2.504 20 5 FFBDRO O=[N+]([O-])CCN(Cc1ccncc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001473501367 1065274305 /nfs/dbraw/zinc/27/43/05/1065274305.db2.gz HXXHICPSKHRNPJ-FQEVSTJZSA-N 1 0 354.454 2.825 20 5 FFBDRO O=c1[nH]c2cccnc2n1C1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001473797419 1065368006 /nfs/dbraw/zinc/36/80/06/1065368006.db2.gz NBXLKVSHSPYCIE-UHFFFAOYSA-N 1 0 367.409 2.925 20 5 FFBDRO COCc1ccccc1C[NH2+]Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC001473922211 1065420205 /nfs/dbraw/zinc/42/02/05/1065420205.db2.gz HGBINAOIEIAQHO-UHFFFAOYSA-N 1 0 374.393 2.583 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(C[NH2+][C@@H](CO)[C@@H]2CCOC2)o1 ZINC001474094916 1065455396 /nfs/dbraw/zinc/45/53/96/1065455396.db2.gz ZZUFOIFFZQMMCB-ABAIWWIYSA-N 1 0 366.801 2.995 20 5 FFBDRO CCn1cnc(Cl)c1CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001474322967 1065493601 /nfs/dbraw/zinc/49/36/01/1065493601.db2.gz ALUWVVFRJUQYEC-LLVKDONJSA-N 1 0 350.810 2.546 20 5 FFBDRO CC1(C)C[NH2+]CC[C@@H](NC(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)C1 ZINC001576478746 1078233801 /nfs/dbraw/zinc/23/38/01/1078233801.db2.gz MVRYKRNRUPAEMY-CYBMUJFWSA-N 1 0 356.426 2.838 20 5 FFBDRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC001578275634 1078458246 /nfs/dbraw/zinc/45/82/46/1078458246.db2.gz TVXYCUUJTGXYOS-KRWDZBQOSA-N 1 0 356.426 2.653 20 5 FFBDRO CN(C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)C1(C[NH3+])CCCCC1 ZINC001578391003 1078468538 /nfs/dbraw/zinc/46/85/38/1078468538.db2.gz XJEBIUVRAAEWGG-UHFFFAOYSA-N 1 0 357.357 2.930 20 5 FFBDRO COc1ccc(C)cc1[C@@H](C)NC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC001579198489 1078586881 /nfs/dbraw/zinc/58/68/81/1078586881.db2.gz WLFFQBSRLYDPQZ-BFUOFWGJSA-N 1 0 357.410 2.963 20 5 FFBDRO C[C@@H]([NH3+])Cn1c(C2CCC2)nnc1N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001579404252 1078625806 /nfs/dbraw/zinc/62/58/06/1078625806.db2.gz HLDPVOZLJAITNS-CYBMUJFWSA-N 1 0 370.457 2.970 20 5 FFBDRO [NH3+][C@H](Cc1ccc2cc[nH]c2c1)C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001580135203 1078755020 /nfs/dbraw/zinc/75/50/20/1078755020.db2.gz ZCLQYUGTXGTKSG-MRXNPFEDSA-N 1 0 350.378 2.535 20 5 FFBDRO [NH3+]C[C@]12CC[C@@H]1CCCN2C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC001580250195 1078773937 /nfs/dbraw/zinc/77/39/37/1078773937.db2.gz HMNREIGLADQXOG-BLLLJJGKSA-N 1 0 352.822 2.661 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC001582803924 1079110225 /nfs/dbraw/zinc/11/02/25/1079110225.db2.gz CRGZZUNGMMLCCN-ZDUSSCGKSA-N 1 0 357.418 2.594 20 5 FFBDRO O=C(NCC12CCC[NH+](CCC1)C2)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001557775701 1075888206 /nfs/dbraw/zinc/88/82/06/1075888206.db2.gz ATHXPWVJDIHKHP-UHFFFAOYSA-N 1 0 355.797 2.993 20 5 FFBDRO CC1(C)C[N@H+](Cc2ccccc2)C(C)(C)CN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC001585804829 1079502202 /nfs/dbraw/zinc/50/22/02/1079502202.db2.gz HOBFSVUQAWIALS-UHFFFAOYSA-N 1 0 371.441 2.833 20 5 FFBDRO CC(C)(C)n1cncc1[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC001558838657 1076086741 /nfs/dbraw/zinc/08/67/41/1076086741.db2.gz VGCKWWFPGXAMNS-GFCCVEGCSA-N 1 0 372.429 2.543 20 5 FFBDRO CC[NH+](CC)CC[C@H](CO)Nc1c2cccc(Cl)c2ncc1[N+](=O)[O-] ZINC001559178188 1076132427 /nfs/dbraw/zinc/13/24/27/1076132427.db2.gz CMXJSHDJWQWQBH-GFCCVEGCSA-N 1 0 366.849 2.723 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCCN(c2cc[nH+]cc2)CC1 ZINC001559261848 1076141540 /nfs/dbraw/zinc/14/15/40/1076141540.db2.gz PLDOZUOVVIBLQE-UHFFFAOYSA-N 1 0 370.409 2.802 20 5 FFBDRO O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1N1CC([NH2+][C@H]2CCOC2)C1 ZINC001559290655 1076146737 /nfs/dbraw/zinc/14/67/37/1076146737.db2.gz XFDHFHYASPWCOI-QMMMGPOBSA-N 1 0 365.739 2.834 20 5 FFBDRO C[C@@H]1CC[N@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)[C@@H]1CO ZINC001559753923 1076187749 /nfs/dbraw/zinc/18/77/49/1076187749.db2.gz XUPROBMXIIYKKT-NOZJJQNGSA-N 1 0 352.778 2.501 20 5 FFBDRO CC[N@H+](CCOc1cccc([N+](=O)[O-])c1)[C@@H]1CCN(CC(F)(F)F)C1 ZINC001560034136 1076214779 /nfs/dbraw/zinc/21/47/79/1076214779.db2.gz MZTXCADGFVXBGX-CQSZACIVSA-N 1 0 361.364 2.932 20 5 FFBDRO CC1CC[NH+](CC[C@@H]2CCCN2Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC001560068547 1076220829 /nfs/dbraw/zinc/22/08/29/1076220829.db2.gz DPGLREXOJDDFJS-SFHVURJKSA-N 1 0 374.485 2.780 20 5 FFBDRO Cc1cc(C)c(S(=O)(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC001561474303 1076381327 /nfs/dbraw/zinc/38/13/27/1076381327.db2.gz ATOXSZNSVCBZEX-DOMZBBRYSA-N 1 0 369.487 2.610 20 5 FFBDRO Cc1cc(C)c(C[NH2+]CC2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCCC2)c(C)c1 ZINC001567998319 1077065106 /nfs/dbraw/zinc/06/51/06/1077065106.db2.gz IFFPYVMOHOMTDQ-SJLPKXTDSA-N 1 0 359.470 2.796 20 5 FFBDRO C[NH+](C)[C@H]1C[C@H](NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C12CCC2 ZINC001585898845 1079511454 /nfs/dbraw/zinc/51/14/54/1079511454.db2.gz GFDWWCHSGXLZFB-GJZGRUSLSA-N 1 0 369.824 2.919 20 5 FFBDRO CCC[N@@H+]1CCC[C@H](C(=O)NCCCNc2ccc(C)cc2[N+](=O)[O-])C1 ZINC001586524874 1079645558 /nfs/dbraw/zinc/64/55/58/1079645558.db2.gz LXFKZLXEWVPULY-INIZCTEOSA-N 1 0 362.474 2.943 20 5 FFBDRO O=C(NC12CC[NH+](CC1)C2)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC001587191704 1079753109 /nfs/dbraw/zinc/75/31/09/1079753109.db2.gz KACBUKLSUUBVHU-UHFFFAOYSA-N 1 0 352.394 2.916 20 5 FFBDRO C[C@H](Cc1cccs1)[N@H+](C)Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001589903150 1080852976 /nfs/dbraw/zinc/85/29/76/1080852976.db2.gz RVBQLPAAYQDZPV-LLVKDONJSA-N 1 0 358.427 2.899 20 5 FFBDRO C[C@@H](Nc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])[C@H](c1ccccc1)[NH+](C)C ZINC001589982326 1080919817 /nfs/dbraw/zinc/91/98/17/1080919817.db2.gz NCUZVKIEXRNVGW-SJKOYZFVSA-N 1 0 367.413 2.878 20 5 FFBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC001590188075 1081077872 /nfs/dbraw/zinc/07/78/72/1081077872.db2.gz PRDVKQCJBVROLQ-JHJVBQTASA-N 1 0 359.434 2.553 20 5 FFBDRO O=C(COc1ccccc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1)N1CCCC1 ZINC000069784164 249740844 /nfs/dbraw/zinc/74/08/44/249740844.db2.gz MJDJKTPWKJIMOL-UHFFFAOYSA-N 1 0 369.421 2.886 20 5 FFBDRO O=[N+]([O-])c1cc(I)ccc1NC[C@@H]1CCC[NH2+]C1 ZINC000097349080 250065450 /nfs/dbraw/zinc/06/54/50/250065450.db2.gz QPGYWVXLWGQJAI-SECBINFHSA-N 1 0 361.183 2.611 20 5 FFBDRO CC[NH+](CC)CCCNC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000103205625 250138748 /nfs/dbraw/zinc/13/87/48/250138748.db2.gz QVTSYPFWNJVHPP-UHFFFAOYSA-N 1 0 355.460 2.787 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2cnc(CCN3CC[C@H]([NH+]4CCCC4)C3)o2)c1 ZINC000104685471 250182287 /nfs/dbraw/zinc/18/22/87/250182287.db2.gz NQZWORHQQOJNPC-KRWDZBQOSA-N 1 0 356.426 2.962 20 5 FFBDRO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000106786914 250290335 /nfs/dbraw/zinc/29/03/35/250290335.db2.gz VKUZMTKSZQSXQU-AWEZNQCLSA-N 1 0 369.425 2.527 20 5 FFBDRO Cn1c(Sc2ccc3ncccc3c2[N+](=O)[O-])nnc1[C@@H]1CCC[NH2+]C1 ZINC000117866642 250364926 /nfs/dbraw/zinc/36/49/26/250364926.db2.gz UGMWVJLAEJPNLZ-LLVKDONJSA-N 1 0 370.438 2.890 20 5 FFBDRO CSC[C@@](C)(O)C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000120670737 250614843 /nfs/dbraw/zinc/61/48/43/250614843.db2.gz XCHMYTAZKKTVOQ-HNNXBMFYSA-N 1 0 353.469 2.922 20 5 FFBDRO NC(=O)c1ccc(C[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000181184000 251254607 /nfs/dbraw/zinc/25/46/07/251254607.db2.gz PZFVUFMVGXKASO-KDOFPFPSSA-N 1 0 369.421 2.951 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000264602708 251320813 /nfs/dbraw/zinc/32/08/13/251320813.db2.gz NUFYBAPOCBCDPJ-QGZVFWFLSA-N 1 0 360.458 2.792 20 5 FFBDRO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)CC(=O)N2C ZINC000271523704 251813956 /nfs/dbraw/zinc/81/39/56/251813956.db2.gz VIZMVBBBAIAQMQ-ZDUSSCGKSA-N 1 0 355.394 2.843 20 5 FFBDRO CCC[N@@H+]1CC[C@H](CN[C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000272493738 252051141 /nfs/dbraw/zinc/05/11/41/252051141.db2.gz FINBPQBHNFXJQE-QAPCUYQASA-N 1 0 357.458 2.739 20 5 FFBDRO C[C@H](CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)C[NH+]1CCCC1 ZINC000272576358 252072501 /nfs/dbraw/zinc/07/25/01/252072501.db2.gz XDSOHUJGQHEPIJ-CRAIPNDOSA-N 1 0 357.458 2.739 20 5 FFBDRO C[C@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)C1=CC[N@H+](C)CC1 ZINC000272668362 252096679 /nfs/dbraw/zinc/09/66/79/252096679.db2.gz IGPRLCWYOWBAGN-JTQLQIEISA-N 1 0 368.231 2.738 20 5 FFBDRO CC[C@@H](CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)[NH+]1CCCC1 ZINC000272586779 252073483 /nfs/dbraw/zinc/07/34/83/252073483.db2.gz ZFLQCZVOCBHKKR-FUHWJXTLSA-N 1 0 357.458 2.882 20 5 FFBDRO Cc1cc(N2CCC(N3CCCNC3=O)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272792326 252133081 /nfs/dbraw/zinc/13/30/81/252133081.db2.gz CILBXCIXIKRIEK-UHFFFAOYSA-N 1 0 369.425 2.836 20 5 FFBDRO C[C@@H]1C[N@@H+](Cc2ccc(CNc3ncc([N+](=O)[O-])cn3)cc2)C[C@H](C)O1 ZINC000273181619 252242400 /nfs/dbraw/zinc/24/24/00/252242400.db2.gz OGYWUTUQSDTHDL-OKILXGFUSA-N 1 0 357.414 2.606 20 5 FFBDRO C[C@H]([NH2+][C@@H](C)c1cnn(C)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000273272062 252269453 /nfs/dbraw/zinc/26/94/53/252269453.db2.gz GTJCYBIUKWJHTM-UWVGGRQHSA-N 1 0 351.794 2.660 20 5 FFBDRO Cc1c([N+](=O)[O-])cc(C(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000273327198 252282271 /nfs/dbraw/zinc/28/22/71/252282271.db2.gz YHTHBNAQSGNZKG-GFCCVEGCSA-N 1 0 364.402 2.614 20 5 FFBDRO COc1cc(C[N@H+](C)[C@H]2CC[C@H](O)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000275828468 256051945 /nfs/dbraw/zinc/05/19/45/256051945.db2.gz ICJYWZONQSMYQO-HAQNSBGRSA-N 1 0 360.357 2.940 20 5 FFBDRO Cc1cncc(C[N@@H+]2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)c1 ZINC000275985048 256064084 /nfs/dbraw/zinc/06/40/84/256064084.db2.gz FJYLGBZEICBKGG-UHFFFAOYSA-N 1 0 366.425 2.887 20 5 FFBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000285765132 257003463 /nfs/dbraw/zinc/00/34/63/257003463.db2.gz KUZDWHSNHXVKOR-WBVHZDCISA-N 1 0 372.469 2.894 20 5 FFBDRO C[C@H]1CC[C@H](C[N@@H+]2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)O1 ZINC000276472984 256103278 /nfs/dbraw/zinc/10/32/78/256103278.db2.gz ZDRALMGMUIXFTC-DZGCQCFKSA-N 1 0 359.430 2.551 20 5 FFBDRO Cc1noc(C[C@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)c2ccccc2)n1 ZINC000277075240 256158426 /nfs/dbraw/zinc/15/84/26/256158426.db2.gz DXPQXGKEKKXLCW-ZWKOTPCHSA-N 1 0 368.393 2.893 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]([NH+](C)C)CC2)cc1SC ZINC000277318704 256184053 /nfs/dbraw/zinc/18/40/53/256184053.db2.gz QQXRSDSLGNGFIW-GFCCVEGCSA-N 1 0 367.471 2.882 20 5 FFBDRO CC[NH+]1CCN([C@@H]2CCN(c3c(C)cc([N+](=O)[O-])cc3Cl)C2)CC1 ZINC000277734179 256232559 /nfs/dbraw/zinc/23/25/59/256232559.db2.gz HNHXRJARHWJNCF-CQSZACIVSA-N 1 0 352.866 2.773 20 5 FFBDRO CC1(C)CC(NC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC(C)(C)[NH2+]1 ZINC000277755993 256235433 /nfs/dbraw/zinc/23/54/33/256235433.db2.gz JQPDWBYHZKDUKH-UHFFFAOYSA-N 1 0 374.445 2.580 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1cccc(N3CCOCC3)n1)CCC2 ZINC000278705004 256340257 /nfs/dbraw/zinc/34/02/57/256340257.db2.gz LEYLDMNISYDDNI-LJQANCHMSA-N 1 0 368.437 2.994 20 5 FFBDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000278748840 256343989 /nfs/dbraw/zinc/34/39/89/256343989.db2.gz UQQGSPWFMDPBSA-CYBMUJFWSA-N 1 0 353.850 2.933 20 5 FFBDRO C[N@H+]1C[C@H]2CN(c3c([N+](=O)[O-])cc(C(F)(F)F)cc3[N+](=O)[O-])C[C@H]2C1 ZINC000278858609 256355457 /nfs/dbraw/zinc/35/54/57/256355457.db2.gz YBWMVMJKHATJIF-DTORHVGOSA-N 1 0 360.292 2.520 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@](C)(OC)CC1 ZINC000280628568 256543783 /nfs/dbraw/zinc/54/37/83/256543783.db2.gz XEENFRYNHJCTCB-GOSISDBHSA-N 1 0 365.430 2.823 20 5 FFBDRO C[C@H]([NH2+]C1CCN(C(=O)c2ccco2)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283867106 256903327 /nfs/dbraw/zinc/90/33/27/256903327.db2.gz BSTWCFYQDVIBIP-LBPRGKRZSA-N 1 0 358.398 2.725 20 5 FFBDRO CCS[C@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000286236670 257026998 /nfs/dbraw/zinc/02/69/98/257026998.db2.gz RQOCTLIMUBCUQB-ZFWWWQNUSA-N 1 0 353.444 2.806 20 5 FFBDRO COC(=O)c1cc(C)nc(N2CCC(CCC[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000286562360 257042973 /nfs/dbraw/zinc/04/29/73/257042973.db2.gz QXNGZNXOQRSVEN-UHFFFAOYSA-N 1 0 364.446 2.643 20 5 FFBDRO C[C@H](c1cccnc1)N1CCN(c2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000286645757 257047551 /nfs/dbraw/zinc/04/75/51/257047551.db2.gz CCMOZRQUNAPQGZ-GFCCVEGCSA-N 1 0 370.438 2.878 20 5 FFBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000286815622 257056574 /nfs/dbraw/zinc/05/65/74/257056574.db2.gz JYJCRCKUIWQVFI-BLLLJJGKSA-N 1 0 366.849 2.745 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000286980769 257065441 /nfs/dbraw/zinc/06/54/41/257065441.db2.gz PWIIVFYLYAYNQZ-CRAIPNDOSA-N 1 0 360.458 2.790 20 5 FFBDRO CN1CC[NH+](CC2CCN(c3cc(Cl)ccc3[N+](=O)[O-])CC2)CC1 ZINC000288653894 257214927 /nfs/dbraw/zinc/21/49/27/257214927.db2.gz ZWBCCFGTQPHTAN-UHFFFAOYSA-N 1 0 352.866 2.712 20 5 FFBDRO [NH3+]C[C@H]1CC[C@H](CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 ZINC000289342240 257275757 /nfs/dbraw/zinc/27/57/57/257275757.db2.gz WZFHPXCFERRVCF-SHTZXODSSA-N 1 0 360.458 2.690 20 5 FFBDRO COc1cc(C[NH2+]CC2=CCCOC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000289994363 257310241 /nfs/dbraw/zinc/31/02/41/257310241.db2.gz CMIGUIOSIYJVLE-UHFFFAOYSA-N 1 0 358.341 2.684 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C)[C@H](C)C1 ZINC000290044470 257312673 /nfs/dbraw/zinc/31/26/73/257312673.db2.gz ZYIJXYFLNIGFKA-CJNGLKHVSA-N 1 0 358.446 2.557 20 5 FFBDRO CS(=O)(=O)CC1(C[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000290820178 257359521 /nfs/dbraw/zinc/35/95/21/257359521.db2.gz GWUZOZJXQNYTGY-UHFFFAOYSA-N 1 0 367.254 2.816 20 5 FFBDRO COc1ccc([C@H](C[NH+]2CCCC2)Nc2ncc([N+](=O)[O-])c(C)n2)cc1 ZINC000295113280 257616932 /nfs/dbraw/zinc/61/69/32/257616932.db2.gz VRJVZERINMPJBB-INIZCTEOSA-N 1 0 357.414 2.951 20 5 FFBDRO C[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C)CC[N@@H+](C2CCC2)C1 ZINC000295967813 257655454 /nfs/dbraw/zinc/65/54/54/257655454.db2.gz NPMTVOSSHGBMOB-CQSZACIVSA-N 1 0 370.457 2.701 20 5 FFBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000295387619 257630556 /nfs/dbraw/zinc/63/05/56/257630556.db2.gz RECPLVVOMDHWME-SCLBCKFNSA-N 1 0 369.425 2.684 20 5 FFBDRO C[N@@H+]1CCCC[C@@H]1CN1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000301183344 258032014 /nfs/dbraw/zinc/03/20/14/258032014.db2.gz IRUQXEKSXUGNRY-OAHLLOKOSA-N 1 0 352.866 2.855 20 5 FFBDRO Cc1nn(C)c(NCc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)c1[N+](=O)[O-] ZINC000301287974 258040328 /nfs/dbraw/zinc/04/03/28/258040328.db2.gz PBYZLMPMXCINGM-ZIAGYGMSSA-N 1 0 373.457 2.858 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCN(c3cc[nH+]cc3)CC2)cc1OC(F)F ZINC000301343338 258044088 /nfs/dbraw/zinc/04/40/88/258044088.db2.gz GYHUAQUSCVBUFH-UHFFFAOYSA-N 1 0 350.325 2.918 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([C@@H](O)c3ncc[nH]3)CC2)c2ncccc12 ZINC000302608318 258106476 /nfs/dbraw/zinc/10/64/76/258106476.db2.gz AAHFNYJOZPVQEA-QGZVFWFLSA-N 1 0 353.382 2.816 20 5 FFBDRO COC(=O)c1cnc(N[C@H]2CCC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000302759780 258110053 /nfs/dbraw/zinc/11/00/53/258110053.db2.gz JVBCLTNEWWLPIJ-INIZCTEOSA-N 1 0 370.409 2.853 20 5 FFBDRO O=[N+]([O-])c1cnc(N2CCC[C@@H]([NH+]3CCCC3)C2)c(Br)c1 ZINC000301490931 258052276 /nfs/dbraw/zinc/05/22/76/258052276.db2.gz BCRHREPOQKVFDX-LLVKDONJSA-N 1 0 355.236 2.817 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c(F)c1 ZINC000301813349 258068719 /nfs/dbraw/zinc/06/87/19/258068719.db2.gz ZASJORFGALWGCP-OAHLLOKOSA-N 1 0 363.364 2.704 20 5 FFBDRO CNC(=O)c1ccc(N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000301835356 258070076 /nfs/dbraw/zinc/07/00/76/258070076.db2.gz LCRKVZYVRVKOEX-WMZOPIPTSA-N 1 0 354.410 2.812 20 5 FFBDRO CC[NH+](CC)CC1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000330885239 258172770 /nfs/dbraw/zinc/17/27/70/258172770.db2.gz QLKYNVSHBRJNGM-UHFFFAOYSA-N 1 0 369.487 2.646 20 5 FFBDRO C[C@H]1CCCN(c2ccc(C(=O)N(C)CC[NH+]3CCCC3)cc2[N+](=O)[O-])C1 ZINC000331528214 258189535 /nfs/dbraw/zinc/18/95/35/258189535.db2.gz WRXGAYFPKWKUFI-INIZCTEOSA-N 1 0 374.485 2.999 20 5 FFBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000332109102 258214468 /nfs/dbraw/zinc/21/44/68/258214468.db2.gz AIGQOMPQCCWSHK-XHSDSOJGSA-N 1 0 360.458 2.871 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000332292906 258223791 /nfs/dbraw/zinc/22/37/91/258223791.db2.gz JWDWSHNSJATNFE-PBHICJAKSA-N 1 0 362.430 2.572 20 5 FFBDRO CC(C)c1n[nH]c(C(=O)N2CC[NH+](C3CCC(C)CC3)CC2)c1[N+](=O)[O-] ZINC000332423059 258229847 /nfs/dbraw/zinc/22/98/47/258229847.db2.gz RTDNNTNMHKZGIC-UHFFFAOYSA-N 1 0 363.462 2.778 20 5 FFBDRO C[C@@H]([NH3+])C1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CC1 ZINC000269170754 510270010 /nfs/dbraw/zinc/27/00/10/510270010.db2.gz IPHCLYMTUBOLAE-MRVPVSSYSA-N 1 0 374.210 2.696 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)c1C ZINC000032441110 506254070 /nfs/dbraw/zinc/25/40/70/506254070.db2.gz WIKCTBIRGHGPAG-KGLIPLIRSA-N 1 0 369.487 2.753 20 5 FFBDRO O=C(C1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1)N1CCCCC1 ZINC000065223183 506271440 /nfs/dbraw/zinc/27/14/40/506271440.db2.gz AWMVPXAUJJTFMK-UHFFFAOYSA-N 1 0 361.442 2.698 20 5 FFBDRO CN(CC[N@H+](C)C1CCCCC1)C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000065910504 506391074 /nfs/dbraw/zinc/39/10/74/506391074.db2.gz XBCFONVICDEIKT-UHFFFAOYSA-N 1 0 352.410 2.653 20 5 FFBDRO CNC(=O)c1ccc(NC[C@H](c2ccco2)[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000053550128 506401673 /nfs/dbraw/zinc/40/16/73/506401673.db2.gz PJSSSKOEZNCAGI-MRXNPFEDSA-N 1 0 358.398 2.796 20 5 FFBDRO CNC(=O)c1ccc(NC[C@@H](c2cccc(F)c2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000053550513 506402662 /nfs/dbraw/zinc/40/26/62/506402662.db2.gz UAZRBCHHTSJDNR-KRWDZBQOSA-N 1 0 360.389 2.808 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)CC[N@H+](C)C1CCCCC1 ZINC000065971377 506403758 /nfs/dbraw/zinc/40/37/58/506403758.db2.gz DTGABOWTWCXFLF-UHFFFAOYSA-N 1 0 369.487 2.788 20 5 FFBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(CC(C)C)C1CC[NH+](C)CC1 ZINC000053671951 506426589 /nfs/dbraw/zinc/42/65/89/506426589.db2.gz KVYBWYYMWGLEDV-UHFFFAOYSA-N 1 0 369.487 2.644 20 5 FFBDRO C[NH+](C)CCOc1ccccc1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000054167648 506505377 /nfs/dbraw/zinc/50/53/77/506505377.db2.gz AFJPXZAECBVROO-UHFFFAOYSA-N 1 0 357.410 2.508 20 5 FFBDRO CC1CC[NH+](CCNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 ZINC000054779719 506619227 /nfs/dbraw/zinc/61/92/27/506619227.db2.gz IAVFWPJSNUWKGI-UHFFFAOYSA-N 1 0 360.458 2.657 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000009983132 506721151 /nfs/dbraw/zinc/72/11/51/506721151.db2.gz OARUZQQSCAHQMS-UHFFFAOYSA-N 1 0 357.410 2.855 20 5 FFBDRO COc1ccc(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000067269109 506811081 /nfs/dbraw/zinc/81/10/81/506811081.db2.gz ZUKDZLJFPVVYPA-KRWDZBQOSA-N 1 0 357.410 2.945 20 5 FFBDRO C[N@H+](CCNC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CC1 ZINC000067282104 506817831 /nfs/dbraw/zinc/81/78/31/506817831.db2.gz ZVDKFBNSIMMVQQ-UHFFFAOYSA-N 1 0 374.363 2.626 20 5 FFBDRO CC(C)[NH+](CCNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(C)C ZINC000012141381 506822539 /nfs/dbraw/zinc/82/25/39/506822539.db2.gz OHUAIPBQMONHOU-UHFFFAOYSA-N 1 0 363.867 2.645 20 5 FFBDRO C[N@H+](CCCNC(=O)CNc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000067706408 506983208 /nfs/dbraw/zinc/98/32/08/506983208.db2.gz QGIBFKQTGFOGJR-UHFFFAOYSA-N 1 0 356.426 2.645 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[NH+](C2CCCC2)CC1 ZINC000045768853 507016418 /nfs/dbraw/zinc/01/64/18/507016418.db2.gz ILWJQPUQZYSUOD-UHFFFAOYSA-N 1 0 360.458 2.792 20 5 FFBDRO C[NH+](C)[C@H](CNC(=O)NCc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000056459072 507018577 /nfs/dbraw/zinc/01/85/77/507018577.db2.gz DGOWGXPUCVOMHZ-QGZVFWFLSA-N 1 0 360.389 2.836 20 5 FFBDRO COc1ccc(CC(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000067914228 507050818 /nfs/dbraw/zinc/05/08/18/507050818.db2.gz BDTQOUADHMQXGF-GOSISDBHSA-N 1 0 371.437 2.873 20 5 FFBDRO O=C(NC1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1)c1ccccc1 ZINC000046054760 507069568 /nfs/dbraw/zinc/06/95/68/507069568.db2.gz TTYOZFNCIYJCEI-UHFFFAOYSA-N 1 0 369.421 2.868 20 5 FFBDRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000068129753 507122256 /nfs/dbraw/zinc/12/22/56/507122256.db2.gz VQPLFRWZXGNCCV-STQMWFEESA-N 1 0 366.437 2.804 20 5 FFBDRO Cc1c(C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)cccc1[N+](=O)[O-] ZINC000057053914 507161826 /nfs/dbraw/zinc/16/18/26/507161826.db2.gz KKYVWEFYCQVKBE-UHFFFAOYSA-N 1 0 368.437 2.903 20 5 FFBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CCCc3c2cnn3CCO)cc1[N+](=O)[O-] ZINC000371312579 512322888 /nfs/dbraw/zinc/32/28/88/512322888.db2.gz FWBCCMKDBJMGCI-BBRMVZONSA-N 1 0 374.441 2.911 20 5 FFBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCCc3c2cnn3CCO)cc1[N+](=O)[O-] ZINC000371312582 512322972 /nfs/dbraw/zinc/32/29/72/512322972.db2.gz FWBCCMKDBJMGCI-XJKSGUPXSA-N 1 0 374.441 2.911 20 5 FFBDRO CCC[NH+]1CCC(N(C)C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000057255106 507219084 /nfs/dbraw/zinc/21/90/84/507219084.db2.gz PEFXVKAXVASZEL-UHFFFAOYSA-N 1 0 371.441 2.727 20 5 FFBDRO COc1ccc(C[NH+]2CCC(CNC(=O)c3ccc([N+](=O)[O-])o3)CC2)cc1 ZINC000068801382 507328669 /nfs/dbraw/zinc/32/86/69/507328669.db2.gz QBRFYMCHQFPCTD-UHFFFAOYSA-N 1 0 373.409 2.838 20 5 FFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000047434123 507332207 /nfs/dbraw/zinc/33/22/07/507332207.db2.gz ARJUPIYGEHBCLU-BETUJISGSA-N 1 0 367.471 2.546 20 5 FFBDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000069389223 507478746 /nfs/dbraw/zinc/47/87/46/507478746.db2.gz YFDANXDLQBJPBS-HNNXBMFYSA-N 1 0 364.446 2.537 20 5 FFBDRO CNc1ccc(C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000026356197 507580650 /nfs/dbraw/zinc/58/06/50/507580650.db2.gz YLCTYPWFUWQWLF-UHFFFAOYSA-N 1 0 368.437 2.985 20 5 FFBDRO C[C@@H](CNc1ccc(C(N)=O)cc1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000026729820 507605827 /nfs/dbraw/zinc/60/58/27/507605827.db2.gz XHEPSXYRCZCZDP-ZDUSSCGKSA-N 1 0 354.410 2.552 20 5 FFBDRO CCOc1ccc(NC(=O)C[N@H+](CCO)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000071079875 507692711 /nfs/dbraw/zinc/69/27/11/507692711.db2.gz LVIYXZMVALVYCP-UHFFFAOYSA-N 1 0 365.430 2.559 20 5 FFBDRO CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000028917733 507749669 /nfs/dbraw/zinc/74/96/69/507749669.db2.gz VQTBXTOPYYUWKN-UGSOOPFHSA-N 1 0 373.409 2.644 20 5 FFBDRO CC(C)(C)[N@@H+]1CCCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000063728040 507765192 /nfs/dbraw/zinc/76/51/92/507765192.db2.gz JBFHBFHVHDOJNJ-UHFFFAOYSA-N 1 0 358.442 2.882 20 5 FFBDRO CC[NH+]1CCC(CCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000078401590 507868475 /nfs/dbraw/zinc/86/84/75/507868475.db2.gz UWMZNKZDUTWBLX-UHFFFAOYSA-N 1 0 355.460 2.532 20 5 FFBDRO CC[N@@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C1 ZINC000107889472 507872766 /nfs/dbraw/zinc/87/27/66/507872766.db2.gz FDSYULLZVVXMRP-HNNXBMFYSA-N 1 0 360.458 2.657 20 5 FFBDRO O=c1[nH]cnc2cc(N[C@H]3CC[N@H+](Cc4ccccc4)C3)c([N+](=O)[O-])cc21 ZINC000072991019 507881650 /nfs/dbraw/zinc/88/16/50/507881650.db2.gz KPIWAXMWUJLJCR-AWEZNQCLSA-N 1 0 365.393 2.518 20 5 FFBDRO Cc1ccc([C@@H](C)NC(=O)Nc2cnn(CC[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000078633917 507891407 /nfs/dbraw/zinc/89/14/07/507891407.db2.gz YJJPNCZLVYNJJB-CYBMUJFWSA-N 1 0 360.418 2.544 20 5 FFBDRO COc1ccc(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000078641663 507891858 /nfs/dbraw/zinc/89/18/58/507891858.db2.gz JLWAWXSFOYOZQZ-KRWDZBQOSA-N 1 0 369.421 2.998 20 5 FFBDRO CCCO[C@@H]1CCC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000108395294 507892323 /nfs/dbraw/zinc/89/23/23/507892323.db2.gz WYACXZKEUYWJGN-QGZVFWFLSA-N 1 0 361.442 2.765 20 5 FFBDRO CC(C)[C@H](CNc1ccc([N+](=O)[O-])c2cccnc12)[NH+]1CCN(C)CC1 ZINC000078886508 507914541 /nfs/dbraw/zinc/91/45/41/507914541.db2.gz HCKGNVVPAKUCNE-SFHVURJKSA-N 1 0 357.458 2.827 20 5 FFBDRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000108818993 507920401 /nfs/dbraw/zinc/92/04/01/507920401.db2.gz NLXRFVOHDFARJP-STQMWFEESA-N 1 0 373.457 2.957 20 5 FFBDRO Cc1ccc(S(=O)(=O)N(CC[NH+](C)C)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000079068428 507930180 /nfs/dbraw/zinc/93/01/80/507930180.db2.gz SVEDCAVVSKCDAK-UHFFFAOYSA-N 1 0 369.487 2.788 20 5 FFBDRO C[NH+]1CCC(N(Cc2ccco2)C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000073826100 507959707 /nfs/dbraw/zinc/95/97/07/507959707.db2.gz JYGMKXVRTUSOOH-UHFFFAOYSA-N 1 0 357.410 2.853 20 5 FFBDRO CCc1nn(C)c(N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000091730779 508005590 /nfs/dbraw/zinc/00/55/90/508005590.db2.gz ROIMUJUWPAIFOS-INIZCTEOSA-N 1 0 357.458 2.992 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)NC[C@@H]3CC[N@H+](C)C3)cc2[N+](=O)[O-])C1 ZINC000110651189 508039406 /nfs/dbraw/zinc/03/94/06/508039406.db2.gz WFDDCNBKCWLWLC-CABCVRRESA-N 1 0 360.458 2.513 20 5 FFBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N1CCC[N@@H+](C2CCCC2)CC1 ZINC000074764294 508053290 /nfs/dbraw/zinc/05/32/90/508053290.db2.gz VMVPFDWMESNAAN-UHFFFAOYSA-N 1 0 360.458 2.797 20 5 FFBDRO CCN1CC[NH+](C[C@@H](C)CNc2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000112075076 508148741 /nfs/dbraw/zinc/14/87/41/508148741.db2.gz DFJWOUWXVSPFKB-HNNXBMFYSA-N 1 0 357.458 2.829 20 5 FFBDRO CC[C@H](C)[N@H+](C)CCNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000112079817 508149620 /nfs/dbraw/zinc/14/96/20/508149620.db2.gz KACPCQVOPIFIFM-ZDUSSCGKSA-N 1 0 359.430 2.702 20 5 FFBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000081293692 508157432 /nfs/dbraw/zinc/15/74/32/508157432.db2.gz AQRMSWYMUWBNDJ-INIZCTEOSA-N 1 0 360.458 2.778 20 5 FFBDRO CNC(=O)c1ccc(N2CC[N@H+](Cc3ccccc3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000076691252 508241737 /nfs/dbraw/zinc/24/17/37/508241737.db2.gz FPJXFOWQYVHZOK-OAHLLOKOSA-N 1 0 368.437 2.665 20 5 FFBDRO CC(C)COC[C@H](O)C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000113327029 508260854 /nfs/dbraw/zinc/26/08/54/508260854.db2.gz HXYBGAHTPGPDDF-MRXNPFEDSA-N 1 0 365.455 2.841 20 5 FFBDRO C[C@@H]1C[N@@H+](CCCCNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C[C@H](C)O1 ZINC000085456940 508309545 /nfs/dbraw/zinc/30/95/45/508309545.db2.gz AHAJRVYAZGPOCG-OKILXGFUSA-N 1 0 374.441 2.695 20 5 FFBDRO C[C@@H]1C[N@@H+](CCCCNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000085457680 508309724 /nfs/dbraw/zinc/30/97/24/508309724.db2.gz GBBUOUVPRBXRJW-BETUJISGSA-N 1 0 369.849 2.867 20 5 FFBDRO C[C@@H]1C[NH+](CCCCNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@@H](C)O1 ZINC000085457043 508309992 /nfs/dbraw/zinc/30/99/92/508309992.db2.gz UEJPLLPHWAYBDS-ZIAGYGMSSA-N 1 0 374.441 2.695 20 5 FFBDRO CC[C@H](O)[C@H]1CCCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000114459514 508316134 /nfs/dbraw/zinc/31/61/34/508316134.db2.gz RCNQARJNFKIDOW-CVEARBPZSA-N 1 0 365.430 2.557 20 5 FFBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000087104109 508337036 /nfs/dbraw/zinc/33/70/36/508337036.db2.gz JWFJXADCQKQFEM-KRWDZBQOSA-N 1 0 360.458 2.927 20 5 FFBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2C)[C@H](C)C1 ZINC000115270347 508380014 /nfs/dbraw/zinc/38/00/14/508380014.db2.gz IITJRRMKTWHOEW-CRAIPNDOSA-N 1 0 363.458 2.770 20 5 FFBDRO COc1ccc(CSCC(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000121778223 508416792 /nfs/dbraw/zinc/41/67/92/508416792.db2.gz ILDASFVZGLHBQO-TZMCWYRMSA-N 1 0 367.471 2.565 20 5 FFBDRO CCOCC[NH+]1CCN(c2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)CC1 ZINC000133570280 508418001 /nfs/dbraw/zinc/41/80/01/508418001.db2.gz QMKJTZBGYBFFRB-UHFFFAOYSA-N 1 0 351.447 2.931 20 5 FFBDRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000121929649 508451435 /nfs/dbraw/zinc/45/14/35/508451435.db2.gz JINAPMZUIYJRCM-IINYFYTJSA-N 1 0 370.247 2.628 20 5 FFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCC1CC[NH+](C)CC1 ZINC000116490349 508520912 /nfs/dbraw/zinc/52/09/12/508520912.db2.gz SMSCPUDTKSKPGC-ZDUSSCGKSA-N 1 0 351.472 2.924 20 5 FFBDRO C[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)CCc1nccs1 ZINC000157485787 508572062 /nfs/dbraw/zinc/57/20/62/508572062.db2.gz CHESFOUPKWMZRD-UHFFFAOYSA-N 1 0 362.411 2.524 20 5 FFBDRO COc1cc(C[N@@H+]2CC[C@]3(CCOC3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000153854856 508663203 /nfs/dbraw/zinc/66/32/03/508663203.db2.gz PFUYLJJSRMAOFT-INIZCTEOSA-N 1 0 358.341 2.817 20 5 FFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3ccc(-n4ccnc4)cc3)C2)nc1 ZINC000118866043 508688049 /nfs/dbraw/zinc/68/80/49/508688049.db2.gz NTDPNJNHCNGKAK-MRXNPFEDSA-N 1 0 364.409 2.862 20 5 FFBDRO Cc1c(Cl)cc(S(=O)(=O)N(CC[NH+](C)C)C(C)C)cc1[N+](=O)[O-] ZINC000123479777 508693615 /nfs/dbraw/zinc/69/36/15/508693615.db2.gz CIERQTPQXSNBMV-UHFFFAOYSA-N 1 0 363.867 2.517 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)[C@H](C)C1 ZINC000158418556 508701252 /nfs/dbraw/zinc/70/12/52/508701252.db2.gz YLQFHDVUSLADMN-ZBFHGGJFSA-N 1 0 371.441 2.583 20 5 FFBDRO C[C@H](c1ccccc1)[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)CC(N)=O ZINC000123719626 508729109 /nfs/dbraw/zinc/72/91/09/508729109.db2.gz KRNYSNMRCWRECG-OAHLLOKOSA-N 1 0 357.410 2.912 20 5 FFBDRO C[C@H](CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH+]1CCC(C)CC1 ZINC000119241114 508755695 /nfs/dbraw/zinc/75/56/95/508755695.db2.gz JVEMRHATFDTIKF-CQSZACIVSA-N 1 0 358.442 2.855 20 5 FFBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Br)C[NH+]1CCCC1 ZINC000119283560 508764244 /nfs/dbraw/zinc/76/42/44/508764244.db2.gz FYHSNJWZDOMECN-NSHDSACASA-N 1 0 370.247 2.819 20 5 FFBDRO COCC[NH+]1CCC(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 ZINC000138557358 508775483 /nfs/dbraw/zinc/77/54/83/508775483.db2.gz DUBGKXHEUMZNIW-UHFFFAOYSA-N 1 0 363.439 2.650 20 5 FFBDRO CC[N@H+](C)Cc1cccc(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000139285751 508787004 /nfs/dbraw/zinc/78/70/04/508787004.db2.gz KCPOBMAKPXXSLJ-UHFFFAOYSA-N 1 0 363.439 2.525 20 5 FFBDRO C[NH+](C)C[C@@H]1CCCN1C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000159104753 508792721 /nfs/dbraw/zinc/79/27/21/508792721.db2.gz ONZIDDRHEXIVBO-JTQLQIEISA-N 1 0 356.220 2.524 20 5 FFBDRO C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(Br)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000124188409 508794624 /nfs/dbraw/zinc/79/46/24/508794624.db2.gz HEOHYKIAKFFWAO-PWSUYJOCSA-N 1 0 370.247 2.912 20 5 FFBDRO C[C@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2Br)CC[N@@H+]1C ZINC000124337731 508817649 /nfs/dbraw/zinc/81/76/49/508817649.db2.gz AZAPCUJLYPDRHG-WDEREUQCSA-N 1 0 370.247 2.912 20 5 FFBDRO CNc1ccc(C(=O)Nc2cccc(CN3CCOCC3)c2)cc1[N+](=O)[O-] ZINC000142961971 508826591 /nfs/dbraw/zinc/82/65/91/508826591.db2.gz DHAWDPMMLBPZGL-UHFFFAOYSA-N 1 0 370.409 2.721 20 5 FFBDRO O=C(c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)N1CC[NH2+]CC1 ZINC000159385536 508834511 /nfs/dbraw/zinc/83/45/11/508834511.db2.gz DVLLMCHXVUDOBD-UHFFFAOYSA-N 1 0 374.828 2.906 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCN(Cc2cccc(O)c2)CC1 ZINC000130781525 508845119 /nfs/dbraw/zinc/84/51/19/508845119.db2.gz CMZSNIVZJZEMOR-UHFFFAOYSA-N 1 0 355.394 2.567 20 5 FFBDRO COc1ccc([C@H](C)[NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)cc1F ZINC000119758191 508857713 /nfs/dbraw/zinc/85/77/13/508857713.db2.gz WCFMPDAJHJHQNH-LBPRGKRZSA-N 1 0 373.384 2.982 20 5 FFBDRO C[NH+](C)CC1CCC(NC(=O)CSc2ccccc2[N+](=O)[O-])CC1 ZINC000119779946 508860902 /nfs/dbraw/zinc/86/09/02/508860902.db2.gz SZLBEQGGFPLAMS-UHFFFAOYSA-N 1 0 351.472 2.924 20 5 FFBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)CCCNc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000155082849 508919162 /nfs/dbraw/zinc/91/91/62/508919162.db2.gz SUNBLNHTUSFDNZ-YJBOKZPZSA-N 1 0 360.458 2.730 20 5 FFBDRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000125272206 508958175 /nfs/dbraw/zinc/95/81/75/508958175.db2.gz LQPTZMHGJSUKKZ-SNVBAGLBSA-N 1 0 357.332 2.828 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C[C@@H]3CCCS3(=O)=O)o2)c1 ZINC000131769156 508968587 /nfs/dbraw/zinc/96/85/87/508968587.db2.gz GWPYFZNZKPUPQR-HNNXBMFYSA-N 1 0 350.396 2.522 20 5 FFBDRO C[NH+](C)CCn1cc(NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cn1 ZINC000125947511 509047954 /nfs/dbraw/zinc/04/79/54/509047954.db2.gz AYHISYPMWLAPAJ-UHFFFAOYSA-N 1 0 372.429 2.549 20 5 FFBDRO Cc1csc(Sc2ccc(C(=O)NC(C)(C)C[NH3+])cc2[N+](=O)[O-])n1 ZINC000151883839 509103322 /nfs/dbraw/zinc/10/33/22/509103322.db2.gz CEEZDIVHYJLYCG-UHFFFAOYSA-N 1 0 366.468 2.978 20 5 FFBDRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000151920986 509112045 /nfs/dbraw/zinc/11/20/45/509112045.db2.gz LBUUUTJQIWMYKQ-CHWSQXEVSA-N 1 0 363.439 2.915 20 5 FFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCN(c2ccccn2)C1 ZINC000161448977 509116177 /nfs/dbraw/zinc/11/61/77/509116177.db2.gz IXHSDOPLKWKGJD-UONOGXRCSA-N 1 0 372.450 2.866 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000156321375 509159989 /nfs/dbraw/zinc/15/99/89/509159989.db2.gz CSMOOTNPRSLFMV-QGZVFWFLSA-N 1 0 370.409 2.780 20 5 FFBDRO CCC[NH+]1CCC(N(C)C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000263874343 509199719 /nfs/dbraw/zinc/19/97/19/509199719.db2.gz HSGOYYXGSRFLCI-UHFFFAOYSA-N 1 0 364.446 2.619 20 5 FFBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000248008555 509214607 /nfs/dbraw/zinc/21/46/07/509214607.db2.gz QLNPDCZVFROJDF-GJZGRUSLSA-N 1 0 371.441 2.631 20 5 FFBDRO C[NH+](C)[C@H](CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000191887559 509231652 /nfs/dbraw/zinc/23/16/52/509231652.db2.gz FEMCKNMCEXPTRP-QGZVFWFLSA-N 1 0 369.487 2.525 20 5 FFBDRO CC[C@@H]([NH2+]CCNS(=O)(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000162486991 509235531 /nfs/dbraw/zinc/23/55/31/509235531.db2.gz XOQGUIFJDLSHAM-QGZVFWFLSA-N 1 0 363.439 2.614 20 5 FFBDRO COc1cc(CN2CC[N@@H+]3CCCC[C@@H]3C2)c([N+](=O)[O-])cc1OC(F)F ZINC000172804780 509247102 /nfs/dbraw/zinc/24/71/02/509247102.db2.gz WQOIQSNQUGJUEW-CYBMUJFWSA-N 1 0 371.384 2.875 20 5 FFBDRO C[N@@H+]1CCCN(c2ccc(NC(=O)Cc3cccc([N+](=O)[O-])c3)cc2)CC1 ZINC000172824852 509256632 /nfs/dbraw/zinc/25/66/32/509256632.db2.gz ZHFWWAIWYYWAOJ-UHFFFAOYSA-N 1 0 368.437 2.918 20 5 FFBDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000185671636 509297371 /nfs/dbraw/zinc/29/73/71/509297371.db2.gz VHZLPOFPGHYALC-CYBMUJFWSA-N 1 0 370.409 2.651 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CCC[N@@H+](C(C)C)CC2)cc1SC ZINC000264130616 509344167 /nfs/dbraw/zinc/34/41/67/509344167.db2.gz KSZXSDLKJKKPIT-UHFFFAOYSA-N 1 0 367.471 2.882 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)NCC2([NH+](C)C)CCCC2)cc1SC ZINC000264130610 509344200 /nfs/dbraw/zinc/34/42/00/509344200.db2.gz KSGZFWYCTKQFAO-UHFFFAOYSA-N 1 0 367.471 2.930 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)NCC[N@H+](C)C2CCCC2)cc1SC ZINC000264134104 509346170 /nfs/dbraw/zinc/34/61/70/509346170.db2.gz FLQZZDXQPJYMJX-UHFFFAOYSA-N 1 0 367.471 2.930 20 5 FFBDRO CC1CC[NH+](CCNC(=O)c2cccc([N+](=O)[O-])c2Br)CC1 ZINC000182660509 509355783 /nfs/dbraw/zinc/35/57/83/509355783.db2.gz CYFSJIFZSKYKPI-UHFFFAOYSA-N 1 0 370.247 2.819 20 5 FFBDRO CC(C)c1ccc(C[NH+]2CCN(CCn3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000176195206 509371547 /nfs/dbraw/zinc/37/15/47/509371547.db2.gz DUJBHMSXDITVDG-UHFFFAOYSA-N 1 0 357.458 2.733 20 5 FFBDRO C[C@H]1C[C@@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)C[N@@H+]1C1CC1 ZINC000185838018 509378397 /nfs/dbraw/zinc/37/83/97/509378397.db2.gz JNIJYKWZJMJAOO-CMPLNLGQSA-N 1 0 352.822 2.673 20 5 FFBDRO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000248604805 509385287 /nfs/dbraw/zinc/38/52/87/509385287.db2.gz FCOBEKFUDLGRNR-XHDPSFHLSA-N 1 0 354.838 2.776 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCS[C@H](C)CC1 ZINC000192183807 509392119 /nfs/dbraw/zinc/39/21/19/509392119.db2.gz GEJFHINQROUUTA-GFCCVEGCSA-N 1 0 353.444 2.759 20 5 FFBDRO O=[N+]([O-])c1ccn(CC[N@@H+](CCCO)Cc2ccc(Cl)c(Cl)c2)n1 ZINC000176238056 509395160 /nfs/dbraw/zinc/39/51/60/509395160.db2.gz BHSNUJULRGOMHQ-UHFFFAOYSA-N 1 0 373.240 2.983 20 5 FFBDRO CC(C)C[C@@H](C[NH3+])NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000236660859 509474389 /nfs/dbraw/zinc/47/43/89/509474389.db2.gz QLAVCAYVFWBECV-INIZCTEOSA-N 1 0 362.474 2.934 20 5 FFBDRO CC(C)[N@@H+]1CCCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000267436094 509481385 /nfs/dbraw/zinc/48/13/85/509481385.db2.gz ACWOBVAAFXFMJH-UHFFFAOYSA-N 1 0 370.247 2.914 20 5 FFBDRO C[C@H]1C[NH+](CCC2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)C[C@H](C)O1 ZINC000267449239 509490195 /nfs/dbraw/zinc/49/01/95/509490195.db2.gz ZTDNCNGODSTVRS-KBPBESRZSA-N 1 0 365.430 2.539 20 5 FFBDRO CCCN(CCC[NH+](C)C)C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000189271370 509494144 /nfs/dbraw/zinc/49/41/44/509494144.db2.gz MHWDORPRZTYZCO-UHFFFAOYSA-N 1 0 359.430 2.584 20 5 FFBDRO CC[N@@H+]1CCCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000267457867 509494841 /nfs/dbraw/zinc/49/48/41/509494841.db2.gz ISDPXNZRVZPVNT-UHFFFAOYSA-N 1 0 356.220 2.525 20 5 FFBDRO CC(C)c1ccc([C@H]([NH3+])CNC(=O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000236765459 509500025 /nfs/dbraw/zinc/50/00/25/509500025.db2.gz BRFSDBQGPWKESP-GOSISDBHSA-N 1 0 357.410 2.913 20 5 FFBDRO O=C1CCCN1C[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000179562451 509514038 /nfs/dbraw/zinc/51/40/38/509514038.db2.gz BWRLQEOUPWNHCU-QGZVFWFLSA-N 1 0 369.421 2.927 20 5 FFBDRO CC[NH2+]CCNC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000236993227 509548477 /nfs/dbraw/zinc/54/84/77/509548477.db2.gz SCOGLYYIIUQEIL-ZDUSSCGKSA-N 1 0 357.414 2.502 20 5 FFBDRO C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])s1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183018827 509551202 /nfs/dbraw/zinc/55/12/02/509551202.db2.gz OKONZCAESCBHFO-RYUDHWBXSA-N 1 0 373.500 2.588 20 5 FFBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000183022433 509553205 /nfs/dbraw/zinc/55/32/05/509553205.db2.gz AIGUOKOHBCUSGD-MFKMUULPSA-N 1 0 357.357 2.608 20 5 FFBDRO COc1cccc(N(C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000186164269 509553640 /nfs/dbraw/zinc/55/36/40/509553640.db2.gz CWFPJCAXKGRMDG-HXUWFJFHSA-N 1 0 371.437 2.677 20 5 FFBDRO CC[NH2+]Cc1ccccc1NC(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000237049047 509558466 /nfs/dbraw/zinc/55/84/66/509558466.db2.gz UOGBNFKRGBATDL-UHFFFAOYSA-N 1 0 359.382 2.730 20 5 FFBDRO CN(C)[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000237167750 509586372 /nfs/dbraw/zinc/58/63/72/509586372.db2.gz XCPWXXAQSALLRN-KRWDZBQOSA-N 1 0 369.425 2.981 20 5 FFBDRO CC[C@H]1CN(C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)CC[N@@H+]1C[C@H](C)O ZINC000249063840 509588915 /nfs/dbraw/zinc/58/89/15/509588915.db2.gz JYMLAMBSZSCVLZ-GJZGRUSLSA-N 1 0 364.446 2.521 20 5 FFBDRO O=C1CCCCN1CC1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000173440632 509600174 /nfs/dbraw/zinc/60/01/74/509600174.db2.gz APGKAOSRQXRBJZ-UHFFFAOYSA-N 1 0 361.442 2.698 20 5 FFBDRO CCn1nc(C)c([N+](=O)[O-])c1NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000192757938 509630829 /nfs/dbraw/zinc/63/08/29/509630829.db2.gz HHEGDZJKFPFUFO-QGZVFWFLSA-N 1 0 373.457 2.688 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1CCCO[C@@H]1CC(C)C ZINC000186339957 509657666 /nfs/dbraw/zinc/65/76/66/509657666.db2.gz VRZJOUOJOFJAIO-RHSMWYFYSA-N 1 0 365.430 2.725 20 5 FFBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 ZINC000267897127 509660310 /nfs/dbraw/zinc/66/03/10/509660310.db2.gz ACVNLRBLBOMODV-JTQLQIEISA-N 1 0 374.210 2.663 20 5 FFBDRO CC(C)C[C@@H]1OCCC[C@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000186344340 509661061 /nfs/dbraw/zinc/66/10/61/509661061.db2.gz IUIBMPHRDOCJTB-SJORKVTESA-N 1 0 370.471 2.552 20 5 FFBDRO O=C(NC1CC[NH+](Cc2cccnc2)CC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000176757775 509675338 /nfs/dbraw/zinc/67/53/38/509675338.db2.gz PIUTZZGVJOTADS-UHFFFAOYSA-N 1 0 358.373 2.523 20 5 FFBDRO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000170684320 509719761 /nfs/dbraw/zinc/71/97/61/509719761.db2.gz GWEXHLOPWBHEIJ-MRXNPFEDSA-N 1 0 358.442 2.870 20 5 FFBDRO O=C(Nc1ccccc1C(=O)OC1CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000237923839 509775419 /nfs/dbraw/zinc/77/54/19/509775419.db2.gz FZJXZPGBGSDAEQ-UHFFFAOYSA-N 1 0 369.377 2.756 20 5 FFBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCC([NH2+]CC2CC2)CC1 ZINC000237999537 509796029 /nfs/dbraw/zinc/79/60/29/509796029.db2.gz RNXYUDSTFUWOFA-UHFFFAOYSA-N 1 0 360.458 2.778 20 5 FFBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000268231964 509827504 /nfs/dbraw/zinc/82/75/04/509827504.db2.gz SIUUPBGPXHSAJX-TVQRCGJNSA-N 1 0 368.231 2.570 20 5 FFBDRO CC[C@H]1CN(C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)CC[N@@H+]1C[C@@H](C)O ZINC000189936636 509840164 /nfs/dbraw/zinc/84/01/64/509840164.db2.gz ACMBOHICQJGXAA-ZBFHGGJFSA-N 1 0 363.458 2.635 20 5 FFBDRO C[C@H]1C[C@H](C)CN(c2ccc(C(=O)NC3(C)CC[NH2+]CC3)cc2[N+](=O)[O-])C1 ZINC000193399953 509899279 /nfs/dbraw/zinc/89/92/79/509899279.db2.gz CKLTUFQHNKJJIH-GJZGRUSLSA-N 1 0 374.485 2.949 20 5 FFBDRO CC(=O)c1cccc(OC[C@@H](O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000180420190 509916079 /nfs/dbraw/zinc/91/60/79/509916079.db2.gz HNIWXNDKEYCOGP-ACJLOTCBSA-N 1 0 358.394 2.888 20 5 FFBDRO C[C@H]([NH2+]CCOc1cccc(S(C)(=O)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000180437682 509925751 /nfs/dbraw/zinc/92/57/51/509925751.db2.gz VPXAXYHTYMLYPZ-ZDUSSCGKSA-N 1 0 364.423 2.728 20 5 FFBDRO COc1ccccc1COC[C@H](O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180443963 509927981 /nfs/dbraw/zinc/92/79/81/509927981.db2.gz BYEORHPZPONILD-RDTXWAMCSA-N 1 0 360.410 2.832 20 5 FFBDRO CC(=O)Nc1ccc(OC[C@@H](O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000180453366 509932600 /nfs/dbraw/zinc/93/26/00/509932600.db2.gz MDOBJXKMVAXXPA-ACJLOTCBSA-N 1 0 373.409 2.644 20 5 FFBDRO CC(C)[NH+]1CCC(O)(CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000268445140 509934708 /nfs/dbraw/zinc/93/47/08/509934708.db2.gz DQPFGQMPYYESAM-UHFFFAOYSA-N 1 0 370.837 2.605 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000193490398 509937105 /nfs/dbraw/zinc/93/71/05/509937105.db2.gz UHFVXIDQCNAXEX-UHFFFAOYSA-N 1 0 358.398 2.987 20 5 FFBDRO CN(CC[C@H]1CCCC[N@@H+]1C)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000245453901 509943806 /nfs/dbraw/zinc/94/38/06/509943806.db2.gz ROSABGVFFJKBRH-QAPCUYQASA-N 1 0 360.458 2.506 20 5 FFBDRO CC[NH+](CC)[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000174163728 509977991 /nfs/dbraw/zinc/97/79/91/509977991.db2.gz AJUQQYXRKYQYED-LBPRGKRZSA-N 1 0 370.247 2.914 20 5 FFBDRO COC(=O)c1cnc(NC[C@H](c2ccco2)[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000190164381 509978475 /nfs/dbraw/zinc/97/84/75/509978475.db2.gz NULPFONMLQACFU-CQSZACIVSA-N 1 0 360.370 2.618 20 5 FFBDRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000245515943 509979849 /nfs/dbraw/zinc/97/98/49/509979849.db2.gz FGMUGXDMKMFWSV-AAEUAGOBSA-N 1 0 369.368 2.895 20 5 FFBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000177350239 510009056 /nfs/dbraw/zinc/00/90/56/510009056.db2.gz KATSTGFNDTUMHJ-LLVKDONJSA-N 1 0 370.247 2.771 20 5 FFBDRO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000261772763 510057665 /nfs/dbraw/zinc/05/76/65/510057665.db2.gz GWPGSIOOWLGNBP-CIVGIRDPSA-N 1 0 372.469 2.831 20 5 FFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000193784498 510068770 /nfs/dbraw/zinc/06/87/70/510068770.db2.gz CUWIXLUBOVGEIP-INIZCTEOSA-N 1 0 354.410 2.550 20 5 FFBDRO CCOc1ccc(C(=O)N(CC[NH3+])CCc2ccccc2)cc1[N+](=O)[O-] ZINC000261819901 510077605 /nfs/dbraw/zinc/07/76/05/510077605.db2.gz XSESEQOKVFZDHV-UHFFFAOYSA-N 1 0 357.410 2.637 20 5 FFBDRO O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000193833470 510091816 /nfs/dbraw/zinc/09/18/16/510091816.db2.gz OILKDZZDXHDXFB-SFHVURJKSA-N 1 0 353.422 2.776 20 5 FFBDRO O=C(CNc1ccccc1[N+](=O)[O-])N1CC[NH2+]C[C@H]1c1cccc(Cl)c1 ZINC000261875552 510097722 /nfs/dbraw/zinc/09/77/22/510097722.db2.gz UBWBZKZHCRNUJK-KRWDZBQOSA-N 1 0 374.828 2.833 20 5 FFBDRO CC(C)c1ccc([C@@H]([NH3+])CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000261963437 510131068 /nfs/dbraw/zinc/13/10/68/510131068.db2.gz AMAOWGUCYDJFGL-KRWDZBQOSA-N 1 0 363.439 2.697 20 5 FFBDRO COc1ccc(CN2C[C@@H](C)[C@@H]([NH3+])C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000261970067 510131705 /nfs/dbraw/zinc/13/17/05/510131705.db2.gz IEHVYQBCLAOAOR-KDOFPFPSSA-N 1 0 371.437 2.961 20 5 FFBDRO C[C@H](NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)[C@H](c1ccccc1)[NH+](C)C ZINC000187220198 510132516 /nfs/dbraw/zinc/13/25/16/510132516.db2.gz ZDGZOABKHBGRNU-YVEFUNNKSA-N 1 0 371.393 2.745 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C(=O)Nc2ncc(C3CC[NH2+]CC3)s2)c1 ZINC000261981912 510137389 /nfs/dbraw/zinc/13/73/89/510137389.db2.gz CTQAGXMTTLDNPC-UHFFFAOYSA-N 1 0 362.411 2.779 20 5 FFBDRO C[C@@H](NC(=O)CN(C)c1ccccc1[N+](=O)[O-])[C@@H](c1ccccc1)[NH+](C)C ZINC000187258742 510155067 /nfs/dbraw/zinc/15/50/67/510155067.db2.gz GJGJNJVUZNAXIF-QRWLVFNGSA-N 1 0 370.453 2.839 20 5 FFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H]([NH+](C)C)C1 ZINC000245819457 510157111 /nfs/dbraw/zinc/15/71/11/510157111.db2.gz UCDJOFBJLNVEAM-DGCLKSJQSA-N 1 0 354.838 2.601 20 5 FFBDRO Cn1cc(C[NH2+]C[C@@](C)(O)c2ccco2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000174527858 510161145 /nfs/dbraw/zinc/16/11/45/510161145.db2.gz YSAVIWRNUPXWQI-GOSISDBHSA-N 1 0 356.382 2.586 20 5 FFBDRO [NH3+]CCN(Cc1ccccc1)C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000184191513 510184604 /nfs/dbraw/zinc/18/46/04/510184604.db2.gz NJCLCELOHMDLIQ-UHFFFAOYSA-N 1 0 356.426 2.774 20 5 FFBDRO CC[C@H]([NH2+]CC(=O)N1CCO[C@@H]2CCCC[C@H]21)c1cccc([N+](=O)[O-])c1 ZINC000245898827 510195534 /nfs/dbraw/zinc/19/55/34/510195534.db2.gz RRADDDLTNNHAQP-RCCFBDPRSA-N 1 0 361.442 2.806 20 5 FFBDRO CCc1ccc([C@@H]2C[NH2+]CCN2C(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000262171572 510198123 /nfs/dbraw/zinc/19/81/23/510198123.db2.gz HTXXPDJPTSJKOA-SFHVURJKSA-N 1 0 369.421 2.953 20 5 FFBDRO Nc1cccc([N+](=O)[O-])c1C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000180978463 510219452 /nfs/dbraw/zinc/21/94/52/510219452.db2.gz ABMLEOTUBMPGCU-UHFFFAOYSA-N 1 0 368.437 2.819 20 5 FFBDRO COc1cc(C[N@H+](C)CC(C)(C)CN2CCOCC2)c([N+](=O)[O-])cc1F ZINC000184269120 510229800 /nfs/dbraw/zinc/22/98/00/510229800.db2.gz FLPITAIIIYNJSA-UHFFFAOYSA-N 1 0 369.437 2.533 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H](c2ccc(Cl)cc2)C2CC2)c1 ZINC000174664334 510237941 /nfs/dbraw/zinc/23/79/41/510237941.db2.gz OHEPXTVVXYXRKN-HOTGVXAUSA-N 1 0 350.806 2.547 20 5 FFBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000184286361 510241300 /nfs/dbraw/zinc/24/13/00/510241300.db2.gz RKJDIYKWABJAIM-UHFFFAOYSA-N 1 0 372.400 2.711 20 5 FFBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CC[C@@H]([NH+](C)C)C3)cc2[N+](=O)[O-])C1 ZINC000246042477 510259833 /nfs/dbraw/zinc/25/98/33/510259833.db2.gz YKJFPKGKXKMEMA-BFYDXBDKSA-N 1 0 374.485 2.853 20 5 FFBDRO CC[NH2+][C@H](C)CNC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000262423973 510274762 /nfs/dbraw/zinc/27/47/62/510274762.db2.gz CAEBWJUNJJICMS-SNVBAGLBSA-N 1 0 362.352 2.530 20 5 FFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2[NH2+]CCc3ccccc32)c1 ZINC000262426971 510276576 /nfs/dbraw/zinc/27/65/76/510276576.db2.gz SLPYFRFMYSZHIF-MRXNPFEDSA-N 1 0 357.435 2.934 20 5 FFBDRO CC(C)[NH+]1CCC(NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000184364598 510287449 /nfs/dbraw/zinc/28/74/49/510287449.db2.gz ZROVZRBMGMYRRG-UHFFFAOYSA-N 1 0 354.838 2.920 20 5 FFBDRO COc1cc(C(=O)NCc2cccc(C[NH+](C)C)c2)cc([N+](=O)[O-])c1OC ZINC000265900240 510289861 /nfs/dbraw/zinc/28/98/61/510289861.db2.gz DEFPXVVGEACCKL-UHFFFAOYSA-N 1 0 373.409 2.604 20 5 FFBDRO O=C(C[C@@H]1C[NH2+]CCO1)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000269219367 510297294 /nfs/dbraw/zinc/29/72/94/510297294.db2.gz MQUVCNIRVULBOE-QGZVFWFLSA-N 1 0 357.366 2.704 20 5 FFBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NC2CC[NH2+]CC2)cc1 ZINC000262496832 510300288 /nfs/dbraw/zinc/30/02/88/510300288.db2.gz CYEFUEAKHRXPGZ-UHFFFAOYSA-N 1 0 371.393 2.878 20 5 FFBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)NCC[C@@H]3CC[NH2+]C3)cc2[N+](=O)[O-])C1 ZINC000262580790 510324368 /nfs/dbraw/zinc/32/43/68/510324368.db2.gz OMXKPTJAUMGPGX-XHSDSOJGSA-N 1 0 374.485 2.807 20 5 FFBDRO CN(CC(C)(C)C[NH3+])C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000262582840 510325911 /nfs/dbraw/zinc/32/59/11/510325911.db2.gz LNUQKPNSKNXXJZ-UHFFFAOYSA-N 1 0 351.450 2.598 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000194474440 510384110 /nfs/dbraw/zinc/38/41/10/510384110.db2.gz GCKXMQLPKPLXBG-CQSZACIVSA-N 1 0 364.446 2.523 20 5 FFBDRO CCc1n[nH]c(C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](CC)C2)c1[N+](=O)[O-] ZINC000171873169 510423501 /nfs/dbraw/zinc/42/35/01/510423501.db2.gz PPZJULSRLGODQD-GFCCVEGCSA-N 1 0 351.451 2.511 20 5 FFBDRO CCC(CC)(CNC(=O)Cn1cc([N+](=O)[O-])cn1)[NH2+][C@H](C)c1ccccc1 ZINC000171873417 510423703 /nfs/dbraw/zinc/42/37/03/510423703.db2.gz KLRCBNNILNYPMS-OAHLLOKOSA-N 1 0 373.457 2.817 20 5 FFBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000269496515 510435871 /nfs/dbraw/zinc/43/58/71/510435871.db2.gz KISFEUAFEIVELK-AEFFLSMTSA-N 1 0 372.469 2.796 20 5 FFBDRO CC[C@H]([NH2+]CC(=O)N1CCO[C@H]2CCCC[C@@H]21)c1cccc([N+](=O)[O-])c1 ZINC000181527379 510455041 /nfs/dbraw/zinc/45/50/41/510455041.db2.gz RRADDDLTNNHAQP-BZSNNMDCSA-N 1 0 361.442 2.806 20 5 FFBDRO C[C@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)[C@@H]1COc2ccccc21 ZINC000246433330 510487910 /nfs/dbraw/zinc/48/79/10/510487910.db2.gz INEVIYKLOMUPFJ-KKXDTOCCSA-N 1 0 367.405 2.854 20 5 FFBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000184727548 510488149 /nfs/dbraw/zinc/48/81/49/510488149.db2.gz NTHLIFYBRANHNQ-GFCCVEGCSA-N 1 0 354.838 2.922 20 5 FFBDRO CN(CC1([NH+](C)C)CCC1)C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000187889388 510489134 /nfs/dbraw/zinc/48/91/34/510489134.db2.gz BFWDZDKRYWJPRP-UHFFFAOYSA-N 1 0 370.247 2.914 20 5 FFBDRO C[C@H](CCNC(=O)NCCNc1ccccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000184742301 510495146 /nfs/dbraw/zinc/49/51/46/510495146.db2.gz SSICOPDRHMPTOR-OAHLLOKOSA-N 1 0 363.462 2.570 20 5 FFBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000263002487 510516970 /nfs/dbraw/zinc/51/69/70/510516970.db2.gz PYADBJWOVMNNRY-UHFFFAOYSA-N 1 0 371.319 2.606 20 5 FFBDRO CCN(CCC[NH+]1CCCC1)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000188118098 510602649 /nfs/dbraw/zinc/60/26/49/510602649.db2.gz XEJMPKQKTZPIEP-UHFFFAOYSA-N 1 0 358.442 2.953 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC[C@H](Cc3ccccc3)C2)c1 ZINC000246660943 510605933 /nfs/dbraw/zinc/60/59/33/510605933.db2.gz JAWPXYWBNHCTRJ-IEBWSBKVSA-N 1 0 356.422 2.899 20 5 FFBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)NC(=O)Nc2ccccc2)cc1[N+](=O)[O-] ZINC000181838740 510618967 /nfs/dbraw/zinc/61/89/67/510618967.db2.gz ABWHYBIVGXUGHT-CYBMUJFWSA-N 1 0 356.382 2.902 20 5 FFBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000175414971 510635328 /nfs/dbraw/zinc/63/53/28/510635328.db2.gz CEXRKPHQZFTBOR-UHFFFAOYSA-N 1 0 367.471 2.670 20 5 FFBDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000266555097 510655899 /nfs/dbraw/zinc/65/58/99/510655899.db2.gz PMTIQNYOSXJHSY-INIZCTEOSA-N 1 0 356.426 2.907 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000181915682 510657311 /nfs/dbraw/zinc/65/73/11/510657311.db2.gz ZGQWUVITVCSOHD-SJORKVTESA-N 1 0 364.442 2.758 20 5 FFBDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000181952436 510676385 /nfs/dbraw/zinc/67/63/85/510676385.db2.gz STLODMCIXKGSGD-LLVKDONJSA-N 1 0 357.357 2.610 20 5 FFBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246812587 510689536 /nfs/dbraw/zinc/68/95/36/510689536.db2.gz NJYNWJUTOZPPFZ-ZRGWGRIASA-N 1 0 372.469 2.871 20 5 FFBDRO CC[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](C)c1cc2ccccc2o1 ZINC000246850052 510709494 /nfs/dbraw/zinc/70/94/94/510709494.db2.gz ZTXWGCZHPKVOAW-CJNGLKHVSA-N 1 0 358.398 2.982 20 5 FFBDRO C[NH+]1CCC([C@H]2CCN(c3ccc([N+](=O)[O-])cc3N3CCOC3=O)C2)CC1 ZINC000270196487 510711883 /nfs/dbraw/zinc/71/18/83/510711883.db2.gz PJLBRYOSHWWBIN-HNNXBMFYSA-N 1 0 374.441 2.720 20 5 FFBDRO Cc1ccccc1C[C@@H](CO)[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000191567193 510726380 /nfs/dbraw/zinc/72/63/80/510726380.db2.gz MUFVALKWEARULY-QAPCUYQASA-N 1 0 371.437 2.814 20 5 FFBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)n1 ZINC000191578732 510735642 /nfs/dbraw/zinc/73/56/42/510735642.db2.gz MKQIUIBNCGMQTB-INIZCTEOSA-N 1 0 371.441 2.596 20 5 FFBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@H](CN2CCOCC2)c2ccccc2)cc1 ZINC000182115858 510764961 /nfs/dbraw/zinc/76/49/61/510764961.db2.gz MRBLVUBLHMMUCM-HXUWFJFHSA-N 1 0 371.437 2.637 20 5 FFBDRO CCC(CC)[C@H](CNc1c([N+](=O)[O-])c(C)nn1CC)N1CCOCC1 ZINC000195343865 510793254 /nfs/dbraw/zinc/79/32/54/510793254.db2.gz BPERUGNKVXVDJW-HNNXBMFYSA-N 1 0 353.467 2.669 20 5 FFBDRO COCCC[NH+]1CCC(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000263697656 510796627 /nfs/dbraw/zinc/79/66/27/510796627.db2.gz ARDQGGJQQUDTRJ-UHFFFAOYSA-N 1 0 361.398 2.572 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000247050240 510816882 /nfs/dbraw/zinc/81/68/82/510816882.db2.gz ZHNLQPAYZDKSIC-HNAYVOBHSA-N 1 0 372.469 2.790 20 5 FFBDRO O=[N+]([O-])c1ccc(CNCCS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000195422671 510820536 /nfs/dbraw/zinc/82/05/36/510820536.db2.gz DGFUBARPCHTOPU-UHFFFAOYSA-N 1 0 354.815 2.812 20 5 FFBDRO C[C@H](C[NH+]1CCCCCC1)NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000185419567 510840453 /nfs/dbraw/zinc/84/04/53/510840453.db2.gz IJLBDTZVFKTALR-OAHLLOKOSA-N 1 0 371.441 2.775 20 5 FFBDRO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182296463 510845654 /nfs/dbraw/zinc/84/56/54/510845654.db2.gz QRMLLJIYZBAMSG-HOCLYGCPSA-N 1 0 360.414 2.512 20 5 FFBDRO CN(CCc1ccccc1[N+](=O)[O-])Cc1nc2ccccc2c(=O)n1C ZINC000285389339 510887636 /nfs/dbraw/zinc/88/76/36/510887636.db2.gz SIXVTIRVVFIVKI-UHFFFAOYSA-N 1 0 352.394 2.516 20 5 FFBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)C2)C1 ZINC000293922477 510900029 /nfs/dbraw/zinc/90/00/29/510900029.db2.gz POCGHXFDJZYLCX-HNNXBMFYSA-N 1 0 357.332 2.781 20 5 FFBDRO C[C@@H]1C[C@@H](c2cccnc2)[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000364527094 510915971 /nfs/dbraw/zinc/91/59/71/510915971.db2.gz JTKUQFOLHOCPEZ-LJHODMEESA-N 1 0 357.410 2.813 20 5 FFBDRO COCC[NH+](CCOC)C1CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000285469801 510919479 /nfs/dbraw/zinc/91/94/79/510919479.db2.gz KLNKRUBKXRMKFL-INIZCTEOSA-N 1 0 365.474 2.715 20 5 FFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCCC2(CC[NH2+]CC2)C1 ZINC000364563516 510942579 /nfs/dbraw/zinc/94/25/79/510942579.db2.gz TVBPVVNSQNVGCT-UHFFFAOYSA-N 1 0 351.834 2.783 20 5 FFBDRO CCC[N@H+](CC)CCNC(=O)c1cc([N+](=O)[O-])ccc1SCCOC ZINC000270869638 511010314 /nfs/dbraw/zinc/01/03/14/511010314.db2.gz JKFWOTLRVPOTIU-UHFFFAOYSA-N 1 0 369.487 2.795 20 5 FFBDRO COc1cccc([C@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])[NH+]2CCCC2)c1 ZINC000294334974 511030752 /nfs/dbraw/zinc/03/07/52/511030752.db2.gz KXLBENGTBNAAML-KRWDZBQOSA-N 1 0 363.458 2.784 20 5 FFBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCC[N@H+](C)C(C)C ZINC000271028311 511061998 /nfs/dbraw/zinc/06/19/98/511061998.db2.gz OMXXVRNVSXEBDO-UHFFFAOYSA-N 1 0 369.487 2.793 20 5 FFBDRO Cn1ccnc1[C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)c1ccccc1F ZINC000364854047 511116295 /nfs/dbraw/zinc/11/62/95/511116295.db2.gz MZMNGJUEAQRHJU-GOSISDBHSA-N 1 0 368.368 2.916 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])c(-c2nc([C@H]3CN(C(C)C)CCO3)no2)c1 ZINC000282961368 511177788 /nfs/dbraw/zinc/17/77/88/511177788.db2.gz KMDHACWQQHBWNR-OAHLLOKOSA-N 1 0 362.386 2.825 20 5 FFBDRO O=C1CC[C@@H]([NH2+]Cc2ccc(Br)c([N+](=O)[O-])c2)C2(CCC2)N1 ZINC000282965960 511180160 /nfs/dbraw/zinc/18/01/60/511180160.db2.gz YSTUGAAHUPPENG-CYBMUJFWSA-N 1 0 368.231 2.648 20 5 FFBDRO COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000294802440 511181701 /nfs/dbraw/zinc/18/17/01/511181701.db2.gz NAOIAIPFWVYTOI-CVEARBPZSA-N 1 0 364.398 2.673 20 5 FFBDRO CC(C)C[C@@H](CNC(=O)c1nn(C)cc1[N+](=O)[O-])[NH2+][C@@H](C)c1ccccc1 ZINC000271459264 511211088 /nfs/dbraw/zinc/21/10/88/511211088.db2.gz XANCWKMYIRFLKY-HOCLYGCPSA-N 1 0 373.457 2.824 20 5 FFBDRO C[C@@H](O)C[C@H]1CCCCN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000279824565 511230467 /nfs/dbraw/zinc/23/04/67/511230467.db2.gz QQOIGGPCHLLRHL-UKRRQHHQSA-N 1 0 358.398 2.546 20 5 FFBDRO COc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000271650488 511274864 /nfs/dbraw/zinc/27/48/64/511274864.db2.gz IVCXGENILPQXKO-LBPRGKRZSA-N 1 0 359.382 2.901 20 5 FFBDRO COc1ccc([C@H](C)[NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)cc1 ZINC000271650610 511275451 /nfs/dbraw/zinc/27/54/51/511275451.db2.gz IZJJPGHVWLJWDC-ZDUSSCGKSA-N 1 0 355.394 2.843 20 5 FFBDRO Cc1c([C@H](C)[NH2+]C[C@@](O)(c2nccn2C)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000272030257 511406594 /nfs/dbraw/zinc/40/65/94/511406594.db2.gz DYOLMWOQPWARFH-XHDPSFHLSA-N 1 0 372.347 2.737 20 5 FFBDRO C[C@@H]1CN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC[N@@H+](C2CCC2)C1 ZINC000292109566 511468187 /nfs/dbraw/zinc/46/81/87/511468187.db2.gz GWXJTCIQSPCILP-CQSZACIVSA-N 1 0 371.441 2.951 20 5 FFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292131622 511476653 /nfs/dbraw/zinc/47/66/53/511476653.db2.gz LFTUAXIRVUJDKL-SJKOYZFVSA-N 1 0 366.849 2.603 20 5 FFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292131616 511477233 /nfs/dbraw/zinc/47/72/33/511477233.db2.gz LFTUAXIRVUJDKL-PXAZEXFGSA-N 1 0 366.849 2.603 20 5 FFBDRO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000295751053 511504180 /nfs/dbraw/zinc/50/41/80/511504180.db2.gz XIKIQPNEBHPJNY-QWHCGFSZSA-N 1 0 366.377 2.517 20 5 FFBDRO Cc1cc(OCC(=O)NCc2ccccc2C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000280558625 511511063 /nfs/dbraw/zinc/51/10/63/511511063.db2.gz NNQWHTYMTOWCMW-UHFFFAOYSA-N 1 0 357.410 2.660 20 5 FFBDRO COC(=O)CC1([NH2+]CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CCCC1 ZINC000280605665 511529303 /nfs/dbraw/zinc/52/93/03/511529303.db2.gz XJENPGXNKWHGNJ-UHFFFAOYSA-N 1 0 363.414 2.697 20 5 FFBDRO O=[N+]([O-])c1ccc(CN2CCC[C@@H](c3nncn3C3CC3)C2)c([N+](=O)[O-])c1 ZINC000284081444 511598029 /nfs/dbraw/zinc/59/80/29/511598029.db2.gz LKQLUVHHUFKSFR-CYBMUJFWSA-N 1 0 372.385 2.809 20 5 FFBDRO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@H](Cc3cnn(C)c3)C2)cccc1[N+](=O)[O-] ZINC000363561414 511629463 /nfs/dbraw/zinc/62/94/63/511629463.db2.gz YZDUZENNIFBOLH-LSDHHAIUSA-N 1 0 371.441 2.528 20 5 FFBDRO CCOCCC[N@@H+]1CC[C@H](N[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000284216434 511646861 /nfs/dbraw/zinc/64/68/61/511646861.db2.gz TUDLWNLDNCTKQN-DAYGRLMNSA-N 1 0 364.490 2.965 20 5 FFBDRO Cc1cc(Sc2nnc([C@H]3CCC[NH2+]C3)n2C)c(F)cc1[N+](=O)[O-] ZINC000292620764 511663521 /nfs/dbraw/zinc/66/35/21/511663521.db2.gz NNEQFTBGNLLFMJ-JTQLQIEISA-N 1 0 351.407 2.789 20 5 FFBDRO C[C@H]1CCC[N@H+](CCCCNc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 ZINC000301709665 511699968 /nfs/dbraw/zinc/69/99/68/511699968.db2.gz XAJPUIQJXMCKSN-ZDUSSCGKSA-N 1 0 362.430 2.850 20 5 FFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NCc1ccccc1C[NH+](C)C ZINC000281054703 511704322 /nfs/dbraw/zinc/70/43/22/511704322.db2.gz XWPWHTWKZRMSQE-UHFFFAOYSA-N 1 0 357.410 2.985 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC[C@H](C)[NH+]2CCC(C)CC2)c1C ZINC000303038694 511726198 /nfs/dbraw/zinc/72/61/98/511726198.db2.gz ZHPKCHTZEMAMAD-AWEZNQCLSA-N 1 0 369.487 2.610 20 5 FFBDRO COCCOC1(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CCOCC1 ZINC000296407337 511732056 /nfs/dbraw/zinc/73/20/56/511732056.db2.gz KSRWOYDBWXTLSY-HNNXBMFYSA-N 1 0 352.431 2.766 20 5 FFBDRO CC(C)[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1(CO)CCC1 ZINC000292829049 511736308 /nfs/dbraw/zinc/73/63/08/511736308.db2.gz QYMBAMBGQZPTPQ-KRWDZBQOSA-N 1 0 350.415 2.738 20 5 FFBDRO C[N@@H+]1CC[C@H]2OCCN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)[C@@H]2C1 ZINC000284550287 511768640 /nfs/dbraw/zinc/76/86/40/511768640.db2.gz HHLDLYHSLCXYIK-IEBWSBKVSA-N 1 0 357.410 2.760 20 5 FFBDRO CNc1c(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000312028941 511781552 /nfs/dbraw/zinc/78/15/52/511781552.db2.gz YJELIIFHCHARRM-HNNXBMFYSA-N 1 0 354.410 2.641 20 5 FFBDRO COc1cc(-c2nc([C@@H]3C[N@@H+]4CCC[C@@]4(C)CO3)no2)ccc1[N+](=O)[O-] ZINC000350340289 511783450 /nfs/dbraw/zinc/78/34/50/511783450.db2.gz NTDZWVMAGYVCNX-YOEHRIQHSA-N 1 0 360.370 2.579 20 5 FFBDRO COc1c(-c2nc([C@@H]3C[N@@H+]4CCC[C@]4(C)CO3)no2)cccc1[N+](=O)[O-] ZINC000350402012 511802864 /nfs/dbraw/zinc/80/28/64/511802864.db2.gz RRQDZJNPNZZUDP-SUMWQHHRSA-N 1 0 360.370 2.579 20 5 FFBDRO CC(C)[C@@]1(CO)CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000293084293 511834849 /nfs/dbraw/zinc/83/48/49/511834849.db2.gz OZXMFXJUWOITJL-SFHVURJKSA-N 1 0 367.421 2.793 20 5 FFBDRO C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cn2)[C@@H]1c1cccs1 ZINC000366141307 511863069 /nfs/dbraw/zinc/86/30/69/511863069.db2.gz BHVPSNVEHBNFQX-BLLLJJGKSA-N 1 0 360.439 2.864 20 5 FFBDRO Cc1c(C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000296834230 511915544 /nfs/dbraw/zinc/91/55/44/511915544.db2.gz BHSSPNHECFWLIP-IRXDYDNUSA-N 1 0 357.385 2.999 20 5 FFBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000293525672 511997289 /nfs/dbraw/zinc/99/72/89/511997289.db2.gz WKOLZZZJTVAOJU-TUAOUCFPSA-N 1 0 354.838 2.600 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000281912245 512009073 /nfs/dbraw/zinc/00/90/73/512009073.db2.gz JACLQGLKSQJNNC-XJKSGUPXSA-N 1 0 362.430 2.942 20 5 FFBDRO C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285140536 512014515 /nfs/dbraw/zinc/01/45/15/512014515.db2.gz LVNRDMPMENXDMS-KBXCAEBGSA-N 1 0 370.453 2.594 20 5 FFBDRO CCC(=O)c1ccc(N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000366430491 512020177 /nfs/dbraw/zinc/02/01/77/512020177.db2.gz NMSOXBARGMXMJL-WBVHZDCISA-N 1 0 374.485 2.650 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000366431817 512020456 /nfs/dbraw/zinc/02/04/56/512020456.db2.gz SUFYFSIHUIQTDW-WQVCFCJDSA-N 1 0 367.833 2.572 20 5 FFBDRO COc1ccc([C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)C[C@H]2[NH3+])cc1F ZINC000297113962 512025194 /nfs/dbraw/zinc/02/51/94/512025194.db2.gz GAWINYXWQVKENX-DOTOQJQBSA-N 1 0 373.384 2.700 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC000275078749 512034729 /nfs/dbraw/zinc/03/47/29/512034729.db2.gz CNZMLXQCIXFIEK-NEPJUHHUSA-N 1 0 359.348 2.965 20 5 FFBDRO O=C(NCC(F)(F)F)[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000275099844 512040298 /nfs/dbraw/zinc/04/02/98/512040298.db2.gz KOSKITCCOGWOBW-JTQLQIEISA-N 1 0 365.739 2.749 20 5 FFBDRO CS[C@H]1CN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000275129597 512049952 /nfs/dbraw/zinc/04/99/52/512049952.db2.gz OJYMBBLIDJMHHV-KBPBESRZSA-N 1 0 369.874 2.900 20 5 FFBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1CCC[C@H]1Oc1cc(F)cc(F)c1 ZINC000367612128 512584156 /nfs/dbraw/zinc/58/41/56/512584156.db2.gz CWWBVXCHVHTRGD-DZGCQCFKSA-N 1 0 352.341 2.696 20 5 FFBDRO COc1cc(CC2C[NH+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)cc(OC)c1 ZINC000371958674 512653854 /nfs/dbraw/zinc/65/38/54/512653854.db2.gz GDZSDKDCYJTNJP-FQEVSTJZSA-N 1 0 372.421 2.820 20 5 FFBDRO O=C(CC[NH2+][C@H]1CCCC[C@@H]1n1cccn1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411566545 512693169 /nfs/dbraw/zinc/69/31/69/512693169.db2.gz ZKFOPCWLBLWXAC-IRXDYDNUSA-N 1 0 357.414 2.893 20 5 FFBDRO C[NH+]1CCC([C@H]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3Cl)C2)CC1 ZINC000374343853 512779914 /nfs/dbraw/zinc/77/99/14/512779914.db2.gz ZOLVVNVXXVMCFA-HNNXBMFYSA-N 1 0 365.861 2.981 20 5 FFBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(F)(F)c3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000378500976 512793114 /nfs/dbraw/zinc/79/31/14/512793114.db2.gz YUDQABAYLNGUKL-IUODEOHRSA-N 1 0 353.369 2.629 20 5 FFBDRO C[C@H]([NH2+][C@@H]1CCN(c2ccccc2C(N)=O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000370167935 512799915 /nfs/dbraw/zinc/79/99/15/512799915.db2.gz WZDFWORPOJLTKL-DZGCQCFKSA-N 1 0 354.410 2.623 20 5 FFBDRO O=[N+]([O-])c1ccc2[nH]c(=NC[C@@H]3CC[N@H+](Cc4ccccc4)C3)[nH]c2c1 ZINC000388556242 512896950 /nfs/dbraw/zinc/89/69/50/512896950.db2.gz YLDJMBLOMDMQDI-HNNXBMFYSA-N 1 0 351.410 2.827 20 5 FFBDRO CO[C@](C)([C@H](C)[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000411979060 512899968 /nfs/dbraw/zinc/89/99/68/512899968.db2.gz ZOHDNYSWLSHERZ-MGPLVRAMSA-N 1 0 355.822 2.980 20 5 FFBDRO NC(=O)c1ccc(NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000390708094 512910351 /nfs/dbraw/zinc/91/03/51/512910351.db2.gz SXSAVGPIUFEUCI-INIZCTEOSA-N 1 0 354.410 2.770 20 5 FFBDRO CN(c1ccc([N+](=O)[O-])c2cnccc21)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000372605513 512966442 /nfs/dbraw/zinc/96/64/42/512966442.db2.gz ICKJFMIJTMAJIZ-INIZCTEOSA-N 1 0 369.469 2.748 20 5 FFBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000372769181 513036223 /nfs/dbraw/zinc/03/62/23/513036223.db2.gz WJDQRRBRQQPOCD-OLZOCXBDSA-N 1 0 357.332 2.970 20 5 FFBDRO Cc1cn2c(n1)[C@@H](CNC(=O)N(C)Cc1ccccc1[N+](=O)[O-])CCC2 ZINC000372820294 513058465 /nfs/dbraw/zinc/05/84/65/513058465.db2.gz GWPNWLRBYZPYRV-CQSZACIVSA-N 1 0 357.414 2.819 20 5 FFBDRO CN(C(=O)C[NH2+][C@@H](c1ccccc1)[C@@H]1CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000374990127 513100449 /nfs/dbraw/zinc/10/04/49/513100449.db2.gz LSVNJUAOWYYMHH-UZLBHIALSA-N 1 0 369.421 2.925 20 5 FFBDRO Cc1c(Br)c(N2CCC[C@@H]([NH+](C)C)CC2)ncc1[N+](=O)[O-] ZINC000428682119 513161729 /nfs/dbraw/zinc/16/17/29/513161729.db2.gz QYYNUZOSLYHZIY-LLVKDONJSA-N 1 0 357.252 2.981 20 5 FFBDRO C[C@@H]1CN(c2nccc3c2cccc3[N+](=O)[O-])CCN1C1CC[NH+](C)CC1 ZINC000450417561 513185235 /nfs/dbraw/zinc/18/52/35/513185235.db2.gz JVJVYYYSMXEZKN-OAHLLOKOSA-N 1 0 369.469 2.748 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCC[NH+]1CCCCCC1 ZINC000439875604 513201167 /nfs/dbraw/zinc/20/11/67/513201167.db2.gz ZVTQEXANSPKIAQ-UHFFFAOYSA-N 1 0 350.419 2.991 20 5 FFBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C[C@@H]1C ZINC000450500785 513223852 /nfs/dbraw/zinc/22/38/52/513223852.db2.gz OEASKYBKAHKMOK-STQMWFEESA-N 1 0 357.414 2.540 20 5 FFBDRO Cc1nc(N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)ncc1[N+](=O)[O-] ZINC000450537580 513240483 /nfs/dbraw/zinc/24/04/83/513240483.db2.gz DZGPVLMVAWHSSJ-DLBZAZTESA-N 1 0 353.426 2.652 20 5 FFBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1 ZINC000429020144 513258357 /nfs/dbraw/zinc/25/83/57/513258357.db2.gz MQHBXDXHCUTVDK-RVKKMQEKSA-N 1 0 360.458 2.586 20 5 FFBDRO [NH3+]CCC[C@@H](NC(=O)NCCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000417932287 513285745 /nfs/dbraw/zinc/28/57/45/513285745.db2.gz CQCOZDNPEKIKOA-GOSISDBHSA-N 1 0 356.426 2.917 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000421515068 513291761 /nfs/dbraw/zinc/29/17/61/513291761.db2.gz AGJAHRDFGBIHRD-QGPMSJSTSA-N 1 0 361.442 2.535 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000415501474 513295976 /nfs/dbraw/zinc/29/59/76/513295976.db2.gz MOKKUVVLAPNITQ-INIZCTEOSA-N 1 0 362.430 2.845 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N[C@@H]3CCC[C@H]3C[NH3+])cc2[N+](=O)[O-])C1 ZINC000429186830 513300673 /nfs/dbraw/zinc/30/06/73/513300673.db2.gz VHCBTAGBUWUDDE-VNQPRFMTSA-N 1 0 360.458 2.688 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)NCC[C@H]3CCC[NH2+]C3)cc2[N+](=O)[O-])C1 ZINC000429208630 513306197 /nfs/dbraw/zinc/30/61/97/513306197.db2.gz ADHRONOQAVUALZ-HZPDHXFCSA-N 1 0 374.485 2.951 20 5 FFBDRO O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000434425225 513320471 /nfs/dbraw/zinc/32/04/71/513320471.db2.gz NTNITVJZABOXRF-GOSISDBHSA-N 1 0 369.425 2.527 20 5 FFBDRO CCOc1cc(C(=O)Nc2ccc3c(c2)C[NH2+]CC3)c([N+](=O)[O-])cc1OC ZINC000429340815 513345767 /nfs/dbraw/zinc/34/57/67/513345767.db2.gz WUSMCRJMFYAKAH-UHFFFAOYSA-N 1 0 371.393 2.900 20 5 FFBDRO Cc1c(NC(=O)NCC[C@H]2CCC[NH2+]2)cc(Br)cc1[N+](=O)[O-] ZINC000415660735 513367566 /nfs/dbraw/zinc/36/75/66/513367566.db2.gz PXLDHLOYAGDPPQ-LLVKDONJSA-N 1 0 371.235 2.929 20 5 FFBDRO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000418088071 513367716 /nfs/dbraw/zinc/36/77/16/513367716.db2.gz JDSIFDVYGILMJC-OAHLLOKOSA-N 1 0 372.347 2.509 20 5 FFBDRO CCC[C@H]1C[NH2+]CCN1C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000418093014 513369061 /nfs/dbraw/zinc/36/90/61/513369061.db2.gz SGRPQGKRXJGSMN-ZDUSSCGKSA-N 1 0 374.363 2.897 20 5 FFBDRO O=C(CC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)Nc1ccc([N+](=O)[O-])cc1 ZINC000450868253 513375078 /nfs/dbraw/zinc/37/50/78/513375078.db2.gz VVWDRINTFCPZED-CGTJXYLNSA-N 1 0 359.426 2.861 20 5 FFBDRO C[C@](C[NH3+])(NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)C1CC1 ZINC000415687071 513381015 /nfs/dbraw/zinc/38/10/15/513381015.db2.gz AQNRYXFEQMPIIY-CYBMUJFWSA-N 1 0 357.208 2.606 20 5 FFBDRO CC1(C)[NH2+]CC[C@H]1NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415689211 513382083 /nfs/dbraw/zinc/38/20/83/513382083.db2.gz CUCCQISJAJYTME-LLVKDONJSA-N 1 0 357.208 2.619 20 5 FFBDRO C[C@H]1C[C@H](NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000415693330 513384528 /nfs/dbraw/zinc/38/45/28/513384528.db2.gz HUYKJNHFWFLKRF-WCBMZHEXSA-N 1 0 357.208 2.619 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC(C)(C)C1(O)CCOCC1 ZINC000418137581 513387002 /nfs/dbraw/zinc/38/70/02/513387002.db2.gz SZCQLBHVVPHILF-UHFFFAOYSA-N 1 0 352.431 2.651 20 5 FFBDRO CC(C)[N@@H+]1CCC[C@@H](NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C1 ZINC000450929607 513409450 /nfs/dbraw/zinc/40/94/50/513409450.db2.gz JTPCYRBSABCEMH-CQSZACIVSA-N 1 0 357.414 2.588 20 5 FFBDRO C[C@H](NC(=O)NCCC[NH2+]Cc1cccnc1)c1ccc([N+](=O)[O-])cc1 ZINC000418230250 513432157 /nfs/dbraw/zinc/43/21/57/513432157.db2.gz IYYMBFHJNBYMOD-AWEZNQCLSA-N 1 0 357.414 2.530 20 5 FFBDRO CCN1CC[NH+](C[C@H](C)CNc2ccc([N+](=O)[O-])c3ncccc23)CC1 ZINC000413087959 513436819 /nfs/dbraw/zinc/43/68/19/513436819.db2.gz ZYWYIKLORGZCJF-OAHLLOKOSA-N 1 0 357.458 2.829 20 5 FFBDRO O=[N+]([O-])c1cnc(NC2CC[NH+](C[C@@H]3CCOC3)CC2)c(C(F)(F)F)c1 ZINC000413152104 513485755 /nfs/dbraw/zinc/48/57/55/513485755.db2.gz BUAKGUCXHQLDST-NSHDSACASA-N 1 0 374.363 2.921 20 5 FFBDRO CC(C)(NC(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2)c1ccccc1[N+](=O)[O-] ZINC000415954807 513498222 /nfs/dbraw/zinc/49/82/22/513498222.db2.gz GZRYCNMSMBEKDR-CYBMUJFWSA-N 1 0 369.425 2.863 20 5 FFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]Cc2nncn2-c2ccccc2)n1 ZINC000447538785 513501773 /nfs/dbraw/zinc/50/17/73/513501773.db2.gz DGUCHLQRENMBRF-CVEARBPZSA-N 1 0 367.413 2.646 20 5 FFBDRO CCOC1CC(O)(C[NH2+][C@H](CC)CSc2ccccc2[N+](=O)[O-])C1 ZINC000447555077 513507098 /nfs/dbraw/zinc/50/70/98/513507098.db2.gz BPLXYYBYRWFCSA-TUBUQKNSSA-N 1 0 354.472 2.985 20 5 FFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCc2c[nH]c3ncccc23)n1 ZINC000447586708 513515757 /nfs/dbraw/zinc/51/57/57/513515757.db2.gz NLZFLOWKUNJJID-HOTGVXAUSA-N 1 0 354.414 2.984 20 5 FFBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000422033689 513536699 /nfs/dbraw/zinc/53/66/99/513536699.db2.gz HYUYOLKHGRGFSF-ZDUSSCGKSA-N 1 0 367.424 2.987 20 5 FFBDRO C[C@H]1CCNC(=O)[C@H]1[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000441365298 513552490 /nfs/dbraw/zinc/55/24/90/513552490.db2.gz AKKLMHZZMGGCGN-LIRRHRJNSA-N 1 0 368.437 2.977 20 5 FFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC2(CCC(O)CC2)CC1 ZINC000451154516 513556023 /nfs/dbraw/zinc/55/60/23/513556023.db2.gz LYFXWMSLJILDIR-CQSZACIVSA-N 1 0 361.442 2.939 20 5 FFBDRO O=[N+]([O-])c1ccc(CN2CCOCC2)cc1NCC1CC[NH+](C2CC2)CC1 ZINC000447816674 513579340 /nfs/dbraw/zinc/57/93/40/513579340.db2.gz MFHVMAWCONKINK-UHFFFAOYSA-N 1 0 374.485 2.713 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCN3C[C@H]4CC[C@@H](C3)O4)o2)cc1 ZINC000451221995 513603899 /nfs/dbraw/zinc/60/38/99/513603899.db2.gz KYZVMDBDAZIPEK-HDICACEKSA-N 1 0 357.410 2.808 20 5 FFBDRO CC(C)(NC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000418677943 513607876 /nfs/dbraw/zinc/60/78/76/513607876.db2.gz BRWAQFCHIDSVBO-ZWKOTPCHSA-N 1 0 368.437 2.885 20 5 FFBDRO C[NH+](C)[C@H](CC(=O)N1CCc2ncc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000416187828 513632063 /nfs/dbraw/zinc/63/20/63/513632063.db2.gz GYJUBUSJAYEXEJ-GOSISDBHSA-N 1 0 354.410 2.568 20 5 FFBDRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000430726465 513735541 /nfs/dbraw/zinc/73/55/41/513735541.db2.gz WGJWZDQJTMBWRH-CYBMUJFWSA-N 1 0 370.247 2.865 20 5 FFBDRO Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)cccc1[N+](=O)[O-] ZINC000451430616 513747984 /nfs/dbraw/zinc/74/79/84/513747984.db2.gz YCBHJHSWOBHVIA-BMGDILEWSA-N 1 0 361.442 2.857 20 5 FFBDRO CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C12CCC2 ZINC000451484533 513779831 /nfs/dbraw/zinc/77/98/31/513779831.db2.gz XGEWXSBTHRUPAP-BRWVUGGUSA-N 1 0 359.426 2.637 20 5 FFBDRO CCCN(Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000430924079 513782966 /nfs/dbraw/zinc/78/29/66/513782966.db2.gz HYFCHGFEDSKPSW-LBPRGKRZSA-N 1 0 359.373 2.779 20 5 FFBDRO C[C@@H]1C[NH+](CCCNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000436261010 513809496 /nfs/dbraw/zinc/80/94/96/513809496.db2.gz AOVKAFNCMJQEES-GHMZBOCLSA-N 1 0 362.352 2.920 20 5 FFBDRO O=C(CN1CC[NH2+]CC12CCCCC2)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000431091129 513823897 /nfs/dbraw/zinc/82/38/97/513823897.db2.gz OYJNMBLBKGATTE-UHFFFAOYSA-N 1 0 366.849 2.795 20 5 FFBDRO C[C@@H]1C[C@@H](NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC[N@@H+]1C ZINC000426068456 513839370 /nfs/dbraw/zinc/83/93/70/513839370.db2.gz YHYBJVIRRUYHLJ-MFKMUULPSA-N 1 0 374.363 2.896 20 5 FFBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000448691446 513846447 /nfs/dbraw/zinc/84/64/47/513846447.db2.gz QTMYGNAQYFWCTP-CYBMUJFWSA-N 1 0 357.414 2.589 20 5 FFBDRO COc1cc(C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)c([N+](=O)[O-])cc1F ZINC000448697517 513850368 /nfs/dbraw/zinc/85/03/68/513850368.db2.gz MSJVXWCPLISUNL-INIZCTEOSA-N 1 0 367.421 2.983 20 5 FFBDRO C[C@H](NS(=O)(=O)c1ccc(C[NH+](C)C)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000451587588 513850679 /nfs/dbraw/zinc/85/06/79/513850679.db2.gz MKZCZWZALDEPNV-ZDUSSCGKSA-N 1 0 363.439 2.696 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H](C(C)C)[C@H](CO)C(C)C ZINC000451605382 513862701 /nfs/dbraw/zinc/86/27/01/513862701.db2.gz ZTTDCNRIFGSZBR-PBHICJAKSA-N 1 0 351.447 2.720 20 5 FFBDRO Cc1c(NC(=O)CC[NH2+][C@H]([C@@H](CO)C2CC2)C2CC2)cccc1[N+](=O)[O-] ZINC000451617372 513868202 /nfs/dbraw/zinc/86/82/02/513868202.db2.gz XSFIRZSTTBXRRJ-KXBFYZLASA-N 1 0 361.442 2.619 20 5 FFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1c2ccccc2C[C@H]1C[NH3+] ZINC000422627787 513881023 /nfs/dbraw/zinc/88/10/23/513881023.db2.gz QLPXEBQLFGSFSB-DOMZBBRYSA-N 1 0 357.435 2.992 20 5 FFBDRO C[C@H](CNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)C[NH+]1CCCCC1 ZINC000448754915 513881824 /nfs/dbraw/zinc/88/18/24/513881824.db2.gz XZKUAEWKILKEQZ-OAHLLOKOSA-N 1 0 361.442 2.796 20 5 FFBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCSC[C@H]1C1CC1 ZINC000451658928 513894701 /nfs/dbraw/zinc/89/47/01/513894701.db2.gz YXTHLXFRIIYHBQ-HNNXBMFYSA-N 1 0 363.439 2.720 20 5 FFBDRO Cc1ccc(C)c(S(=O)(=O)N(C)C(C)(C)C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000416663097 513895526 /nfs/dbraw/zinc/89/55/26/513895526.db2.gz PRQPFRMRZZAITG-UHFFFAOYSA-N 1 0 369.487 2.707 20 5 FFBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431495427 513911445 /nfs/dbraw/zinc/91/14/45/513911445.db2.gz JHIWEFPKLPDWEY-XPTSAGLGSA-N 1 0 368.231 2.570 20 5 FFBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C1 ZINC000448821736 513915023 /nfs/dbraw/zinc/91/50/23/513915023.db2.gz HRSZSSOFXOOKEV-CQSZACIVSA-N 1 0 371.441 2.835 20 5 FFBDRO O=C(NCC[NH+]1CCCCCC1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431510380 513915710 /nfs/dbraw/zinc/91/57/10/513915710.db2.gz GXAQHKHADZOXKL-UHFFFAOYSA-N 1 0 370.247 2.963 20 5 FFBDRO CS(=O)(=O)CC1(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCC1 ZINC000414321921 514046746 /nfs/dbraw/zinc/04/67/46/514046746.db2.gz DSZYTSKFFVVQGE-MRXNPFEDSA-N 1 0 352.456 2.777 20 5 FFBDRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000420291666 514074137 /nfs/dbraw/zinc/07/41/37/514074137.db2.gz XOHBSTJYGDKBCH-XHDPSFHLSA-N 1 0 374.363 2.731 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(C[NH+](C)C)cc1F ZINC000414398339 514091885 /nfs/dbraw/zinc/09/18/85/514091885.db2.gz TUMCAKUOOFPJAM-UHFFFAOYSA-N 1 0 367.402 2.905 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000427018797 514092946 /nfs/dbraw/zinc/09/29/46/514092946.db2.gz CWSZJGHFBXHKNP-FUHWJXTLSA-N 1 0 355.394 2.779 20 5 FFBDRO CC[NH+](CC)[C@H]1CCN(C(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000437211414 514114438 /nfs/dbraw/zinc/11/44/38/514114438.db2.gz VDHPZJLHZURQJM-INIZCTEOSA-N 1 0 371.441 2.552 20 5 FFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000449214399 514115983 /nfs/dbraw/zinc/11/59/83/514115983.db2.gz YDTQLLUPHNESBE-RRFJBIMHSA-N 1 0 363.483 2.924 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cnc(N2CCOCC2)c(F)c1 ZINC000449248403 514130186 /nfs/dbraw/zinc/13/01/86/514130186.db2.gz JCSAZNTYFYXEOM-CQSZACIVSA-N 1 0 374.416 2.686 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@H]2NCCc3ccccc32)n1 ZINC000423415027 514134564 /nfs/dbraw/zinc/13/45/64/514134564.db2.gz DDFBFZZFPWSOAA-KZNAEPCWSA-N 1 0 355.442 2.752 20 5 FFBDRO COC(=O)[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)C[C@H]1c1ccccc1 ZINC000452010799 514134948 /nfs/dbraw/zinc/13/49/48/514134948.db2.gz WFOCZKRHYOJPJL-ROUUACIJSA-N 1 0 370.405 2.992 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2noc(CN3CCCC[C@H]3[C@@H]3CC[NH2+]C3)n2)c1 ZINC000420413084 514138929 /nfs/dbraw/zinc/13/89/29/514138929.db2.gz ZPFVPAUHDQNXPO-ZBFHGGJFSA-N 1 0 357.414 2.609 20 5 FFBDRO O=C(CN1CCCC[C@H]1[C@@H]1CC[NH2+]C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000420412410 514139010 /nfs/dbraw/zinc/13/90/10/514139010.db2.gz ZBHYPLAKWPSRFJ-WBMJQRKESA-N 1 0 366.849 2.651 20 5 FFBDRO CCOC(=O)c1csc(CC[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])n1 ZINC000449270095 514139077 /nfs/dbraw/zinc/13/90/77/514139077.db2.gz PGNUKSHGKYNSGQ-GFCCVEGCSA-N 1 0 363.439 2.991 20 5 FFBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C1CCN(CC(F)(F)F)CC1 ZINC000452032747 514149181 /nfs/dbraw/zinc/14/91/81/514149181.db2.gz BEWBJUFJDJMDOC-UHFFFAOYSA-N 1 0 361.364 2.932 20 5 FFBDRO CCO[C@@H]1CCCC[C@H]1[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000452035024 514150002 /nfs/dbraw/zinc/15/00/02/514150002.db2.gz NDFHPUJGMXKZKC-RHSMWYFYSA-N 1 0 365.430 2.869 20 5 FFBDRO CN(CC(C)(C)C[NH+]1CCOCC1)c1ccnc2c1cccc2[N+](=O)[O-] ZINC000432330951 514161931 /nfs/dbraw/zinc/16/19/31/514161931.db2.gz HNWPMPUMBAVLPC-UHFFFAOYSA-N 1 0 358.442 2.938 20 5 FFBDRO CCc1n[nH]c(C(=O)N[C@H]2CCCC[C@@H]2C[NH+](CC)CC)c1[N+](=O)[O-] ZINC000444270339 514173924 /nfs/dbraw/zinc/17/39/24/514173924.db2.gz OPESSQIAVHZTEM-OCCSQVGLSA-N 1 0 351.451 2.511 20 5 FFBDRO COc1cc(C(=O)N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000452121715 514205922 /nfs/dbraw/zinc/20/59/22/514205922.db2.gz KUQPZBSSNPROOY-SLEUVZQESA-N 1 0 365.405 2.545 20 5 FFBDRO C[C@H]1CN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC[N@@H+](C2CC2)C1 ZINC000452172809 514229516 /nfs/dbraw/zinc/22/95/16/514229516.db2.gz ZELRZILKVWILHX-OAHLLOKOSA-N 1 0 360.458 2.730 20 5 FFBDRO O=C(Nc1cccc(C[NH+]2CCC(O)CC2)c1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000444456198 514234921 /nfs/dbraw/zinc/23/49/21/514234921.db2.gz VZDNJRSSRRUVMQ-UHFFFAOYSA-N 1 0 373.384 2.943 20 5 FFBDRO CNC(=O)C[C@H](C)[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000449599204 514266685 /nfs/dbraw/zinc/26/66/85/514266685.db2.gz FTWHISJTSJDPDC-AWEZNQCLSA-N 1 0 356.426 2.977 20 5 FFBDRO CCOc1cc(NC(=O)N[C@H]2CC[NH2+]C[C@@H]2C)c([N+](=O)[O-])cc1OCC ZINC000414754158 514275152 /nfs/dbraw/zinc/27/51/52/514275152.db2.gz FTGJGYGSJPDWRH-RYUDHWBXSA-N 1 0 366.418 2.512 20 5 FFBDRO COc1ccc(-c2ccc(CN3CC[NH2+]C[C@@](C)(F)C3)o2)c([N+](=O)[O-])c1 ZINC000414776190 514286498 /nfs/dbraw/zinc/28/64/98/514286498.db2.gz MWTHETJTWXSPMQ-GOSISDBHSA-N 1 0 363.389 2.997 20 5 FFBDRO CCCOc1cc(NC(=O)N[C@@H](C)C[NH3+])c([N+](=O)[O-])cc1OCCC ZINC000414781985 514290229 /nfs/dbraw/zinc/29/02/29/514290229.db2.gz IACDHWQZIHHLHP-NSHDSACASA-N 1 0 354.407 2.641 20 5 FFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423960926 514309441 /nfs/dbraw/zinc/30/94/41/514309441.db2.gz CXEYTAKFCDUFJQ-JEBQAFNWSA-N 1 0 371.462 2.947 20 5 FFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000423992438 514326598 /nfs/dbraw/zinc/32/65/98/514326598.db2.gz GFAQAUAKIQUWOI-KRWDZBQOSA-N 1 0 359.813 2.964 20 5 FFBDRO [NH3+][C@@H]1CCO[C@@H](C2CCN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3)CC2)C1 ZINC000424010848 514337990 /nfs/dbraw/zinc/33/79/90/514337990.db2.gz LYFKRMHHAJSRAO-GDBMZVCRSA-N 1 0 367.833 2.607 20 5 FFBDRO CC(C)[NH+](CCNC(=O)COc1ccc([N+](=O)[O-])c2cccnc12)C(C)C ZINC000427903813 514341916 /nfs/dbraw/zinc/34/19/16/514341916.db2.gz ATNJYZJRZILZNK-UHFFFAOYSA-N 1 0 374.441 2.757 20 5 FFBDRO COc1cc(CN[C@@H]2CC[NH2+]C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000414894009 514344917 /nfs/dbraw/zinc/34/49/17/514344917.db2.gz ZTRMVYQFAIJDAE-MRXNPFEDSA-N 1 0 357.410 2.634 20 5 FFBDRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000427920239 514345974 /nfs/dbraw/zinc/34/59/74/514345974.db2.gz AUVQPJRTCVWQCP-CQSZACIVSA-N 1 0 372.425 2.512 20 5 FFBDRO C[C@@H]1CCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H]1C[NH3+] ZINC000424028723 514347269 /nfs/dbraw/zinc/34/72/69/514347269.db2.gz YYAUZGIZQQVIGO-YPMHNXCESA-N 1 0 360.439 2.775 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCO[C@@H](c2nccn2C)C1 ZINC000449779146 514350058 /nfs/dbraw/zinc/35/00/58/514350058.db2.gz XMIXWSREEMWQEU-WMLDXEAASA-N 1 0 360.414 2.737 20 5 FFBDRO O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC2(CC[NH2+]2)CC1 ZINC000424050206 514357743 /nfs/dbraw/zinc/35/77/43/514357743.db2.gz BUJDBDUZGPPJLG-UHFFFAOYSA-N 1 0 358.423 2.686 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000424074358 514369858 /nfs/dbraw/zinc/36/98/58/514369858.db2.gz NYCGVFINEHGJCQ-CYDGBPFRSA-N 1 0 369.849 2.847 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000420948802 514396722 /nfs/dbraw/zinc/39/67/22/514396722.db2.gz OFFBVIJLQQBHDI-QWHCGFSZSA-N 1 0 362.348 2.999 20 5 FFBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)NCC3CC[NH2+]CC3)cc2[N+](=O)[O-])C1 ZINC000428152071 514409005 /nfs/dbraw/zinc/40/90/05/514409005.db2.gz GWOHVUYEIKPRRF-GASCZTMLSA-N 1 0 374.485 2.807 20 5 FFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000420994433 514429689 /nfs/dbraw/zinc/42/96/89/514429689.db2.gz CDQFXFDDXJBCGC-YPMHNXCESA-N 1 0 354.838 2.601 20 5 FFBDRO NC(=O)c1cccc(NC[C@H](c2ccco2)[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000439137332 514500097 /nfs/dbraw/zinc/50/00/97/514500097.db2.gz SGGHWTFXRZJZAZ-OAHLLOKOSA-N 1 0 358.398 2.926 20 5 FFBDRO Cc1cc([C@H](C)[NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])cs1 ZINC000453151829 514559516 /nfs/dbraw/zinc/55/95/16/514559516.db2.gz WKAZLUZDNQXFNC-LBPRGKRZSA-N 1 0 369.468 2.594 20 5 FFBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000453343517 514605376 /nfs/dbraw/zinc/60/53/76/514605376.db2.gz NQFLLTUCFXFHBY-GDAAHCPNSA-N 1 0 359.470 2.759 20 5 FFBDRO C[N@@H+]1CCC[C@H](CCNC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000458209738 514630901 /nfs/dbraw/zinc/63/09/01/514630901.db2.gz KRCOJIAGIUUPBJ-LLVKDONJSA-N 1 0 370.247 2.819 20 5 FFBDRO CNc1nc(C(=O)Nc2ccc(OCC[NH+](C)C)c(C)c2)ccc1[N+](=O)[O-] ZINC000458214472 514635646 /nfs/dbraw/zinc/63/56/46/514635646.db2.gz OXVNAROATAVARX-UHFFFAOYSA-N 1 0 373.413 2.533 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000475445543 514666656 /nfs/dbraw/zinc/66/66/56/514666656.db2.gz KQZRSUZIIPJYFM-AWEZNQCLSA-N 1 0 367.833 2.575 20 5 FFBDRO C[NH+](C)CCn1nccc1NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000455662893 514667311 /nfs/dbraw/zinc/66/73/11/514667311.db2.gz WOZKIRQFDDEZCB-UHFFFAOYSA-N 1 0 372.429 2.549 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+]CCC2CC(F)(F)C2)cc1[N+](=O)[O-] ZINC000453573540 514693941 /nfs/dbraw/zinc/69/39/41/514693941.db2.gz ADWBSEFCEOIQGG-UHFFFAOYSA-N 1 0 358.341 2.672 20 5 FFBDRO COc1ccc(-c2ccc(C[NH2+]C[C@@]3(C)CCC(=O)N3)o2)c([N+](=O)[O-])c1 ZINC000453585047 514703128 /nfs/dbraw/zinc/70/31/28/514703128.db2.gz FUBFOEGDRWYOKC-GOSISDBHSA-N 1 0 359.382 2.622 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(CCC[NH3+])Cc1ccccc1 ZINC000479776070 514720559 /nfs/dbraw/zinc/72/05/59/514720559.db2.gz NLSFVQCJXYLAJB-UHFFFAOYSA-N 1 0 356.426 2.693 20 5 FFBDRO CCCC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000502713890 514748410 /nfs/dbraw/zinc/74/84/10/514748410.db2.gz UBODHGIHWNEDSC-HNNXBMFYSA-N 1 0 369.487 2.836 20 5 FFBDRO C[N@@H+]1CCC[C@H](CCNC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000458438343 514799333 /nfs/dbraw/zinc/79/93/33/514799333.db2.gz UNHCIMCSIGFQMD-QGZVFWFLSA-N 1 0 362.474 2.949 20 5 FFBDRO Cc1cc(N(C)CCC[NH+]2CCN(C)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461976078 514814483 /nfs/dbraw/zinc/81/44/83/514814483.db2.gz ZOWVTSCQEXPYJU-UHFFFAOYSA-N 1 0 374.407 2.996 20 5 FFBDRO CNc1nc(C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)ccc1[N+](=O)[O-] ZINC000456031610 514914372 /nfs/dbraw/zinc/91/43/72/514914372.db2.gz IJUOFMZJECJZQT-AWEZNQCLSA-N 1 0 361.446 2.558 20 5 FFBDRO Cc1c(CNC(=O)N2CC([N@H+](C)Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000503102970 514920556 /nfs/dbraw/zinc/92/05/56/514920556.db2.gz IOWDMQJOXXQLFC-UHFFFAOYSA-N 1 0 368.437 2.929 20 5 FFBDRO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C12CCCCC2 ZINC000503425871 515030031 /nfs/dbraw/zinc/03/00/31/515030031.db2.gz MNTUBUUNJGXYCT-SJORKVTESA-N 1 0 361.442 2.911 20 5 FFBDRO CSCC[C@H]([NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-])C(=O)N(C)C ZINC000489955814 515046681 /nfs/dbraw/zinc/04/66/81/515046681.db2.gz LTCCWXNTUDEMRP-HIFRSBDPSA-N 1 0 353.488 2.715 20 5 FFBDRO CN(CCC[NH+]1CCCC1)C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000467665346 515073169 /nfs/dbraw/zinc/07/31/69/515073169.db2.gz APHPXGHXMJTUJN-UHFFFAOYSA-N 1 0 357.357 2.754 20 5 FFBDRO CN(CCC[NH+]1CCCC1)C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000467666851 515074201 /nfs/dbraw/zinc/07/42/01/515074201.db2.gz DASOCOGCBDLUGD-UHFFFAOYSA-N 1 0 369.849 2.961 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000456324519 515091919 /nfs/dbraw/zinc/09/19/19/515091919.db2.gz XOCWYOLLJFDIAP-NDNKKMJESA-N 1 0 367.833 2.757 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CC[C@@H](c3ccccc3F)C2)c1 ZINC000503702944 515125275 /nfs/dbraw/zinc/12/52/75/515125275.db2.gz RSFSGNRUTIFDBE-ZBFHGGJFSA-N 1 0 360.385 2.963 20 5 FFBDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000472177215 515158516 /nfs/dbraw/zinc/15/85/16/515158516.db2.gz WOUXRDPJSLYJDD-OAHLLOKOSA-N 1 0 374.441 2.649 20 5 FFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1nnnn1-c1ccccc1 ZINC000509428910 515173109 /nfs/dbraw/zinc/17/31/09/515173109.db2.gz IQGZFDFKMHQBJX-NTCAYCPXSA-N 1 0 364.409 2.806 20 5 FFBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000472299062 515212492 /nfs/dbraw/zinc/21/24/92/515212492.db2.gz JQUAJQNGULTYOO-UHFFFAOYSA-N 1 0 369.487 2.652 20 5 FFBDRO CNc1c(C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000462906907 515292343 /nfs/dbraw/zinc/29/23/43/515292343.db2.gz PAQRYKQWBJNSRW-INIZCTEOSA-N 1 0 360.389 2.808 20 5 FFBDRO C[N@H+](CCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000491092902 515376044 /nfs/dbraw/zinc/37/60/44/515376044.db2.gz UHSLDLODYWSQFC-UHFFFAOYSA-N 1 0 355.460 2.528 20 5 FFBDRO CC[N@H+](CCNc1nc2sccn2c1[N+](=O)[O-])CCC(F)(F)F ZINC000491832429 515472369 /nfs/dbraw/zinc/47/23/69/515472369.db2.gz QHZKXYDBEXZVDV-UHFFFAOYSA-N 1 0 351.354 2.990 20 5 FFBDRO C[C@@H](CO)[N@@H+]1CCCN(c2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)CC1 ZINC000468749177 515502005 /nfs/dbraw/zinc/50/20/05/515502005.db2.gz JEOYXINFRHFZDV-AWEZNQCLSA-N 1 0 351.447 2.665 20 5 FFBDRO COCCN1CC[C@@H]([NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000492146112 515506729 /nfs/dbraw/zinc/50/67/29/515506729.db2.gz YCINQAZKALPDKW-QUCCMNQESA-N 1 0 355.438 2.995 20 5 FFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H](c1ccco1)N(C)C ZINC000499973414 515542904 /nfs/dbraw/zinc/54/29/04/515542904.db2.gz BZSXMPHKRGDWNA-BBRMVZONSA-N 1 0 360.414 2.797 20 5 FFBDRO COc1cc(C[N@@H+]2CCC[C@H](c3nncn3C3CC3)C2)ccc1[N+](=O)[O-] ZINC000492828501 515566066 /nfs/dbraw/zinc/56/60/66/515566066.db2.gz JDPVGYFEHIQEBL-AWEZNQCLSA-N 1 0 357.414 2.909 20 5 FFBDRO COCC[C@H](c1ccccc1)[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000459508626 515604076 /nfs/dbraw/zinc/60/40/76/515604076.db2.gz LYKOGPKAOQQCIM-QGZVFWFLSA-N 1 0 356.426 2.890 20 5 FFBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(CC[NH+](C)C)C1CC1 ZINC000505638495 515617915 /nfs/dbraw/zinc/61/79/15/515617915.db2.gz VGYPNSJJPIFENG-UHFFFAOYSA-N 1 0 370.247 2.832 20 5 FFBDRO Cc1cc(C)c(S(=O)(=O)NC[C@H](C)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000493443715 515634478 /nfs/dbraw/zinc/63/44/78/515634478.db2.gz UDZYPYMNERHWGY-ZDUSSCGKSA-N 1 0 369.487 2.612 20 5 FFBDRO O=c1cc2c(n[nH]1)CC[N@@H+](Cc1ccc(-c3cccc([N+](=O)[O-])c3)o1)C2 ZINC000482283078 515634757 /nfs/dbraw/zinc/63/47/57/515634757.db2.gz YQLWJIZPHHLZLD-UHFFFAOYSA-N 1 0 352.350 2.909 20 5 FFBDRO CN(CC(=O)N(CC[NH+](C)C)C1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000463845067 515637687 /nfs/dbraw/zinc/63/76/87/515637687.db2.gz LDUUMKFOLMZOAB-UHFFFAOYSA-N 1 0 362.474 2.754 20 5 FFBDRO C[C@H]([NH2+][C@@H]1CCC[C@@]1(C)CO)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000493526134 515639304 /nfs/dbraw/zinc/63/93/04/515639304.db2.gz MTLGHWFUDHJMBA-JJMVLAAESA-N 1 0 355.822 2.716 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000459550125 515640869 /nfs/dbraw/zinc/64/08/69/515640869.db2.gz SUBJFKSZYSEUOP-ZDUSSCGKSA-N 1 0 350.419 2.847 20 5 FFBDRO CC(=Cc1cccc([N+](=O)[O-])c1)CNc1ccn(C2CC[NH+](C)CC2)n1 ZINC000486804814 515641712 /nfs/dbraw/zinc/64/17/12/515641712.db2.gz WWIPHLNTHFOXGE-NTCAYCPXSA-N 1 0 355.442 2.995 20 5 FFBDRO COC[C@@H]1C[C@@H](OC)C[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000493579595 515645390 /nfs/dbraw/zinc/64/53/90/515645390.db2.gz OSKJKBOLXWLHQN-JKSUJKDBSA-N 1 0 361.398 2.528 20 5 FFBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000454677839 515659360 /nfs/dbraw/zinc/65/93/60/515659360.db2.gz GSYVBMYKEZTMAD-IDHHARJASA-N 1 0 372.469 2.967 20 5 FFBDRO C[NH+](C)CCOc1cccc(NC(=O)CCNc2ccccc2[N+](=O)[O-])c1 ZINC000500304848 515662106 /nfs/dbraw/zinc/66/21/06/515662106.db2.gz NEWYMEAQCHGRSX-UHFFFAOYSA-N 1 0 372.425 2.976 20 5 FFBDRO Cc1cc(C)c(S(=O)(=O)NCC2(C[NH+](C)C)CCCC2)cc1[N+](=O)[O-] ZINC000493843540 515670902 /nfs/dbraw/zinc/67/09/02/515670902.db2.gz LLWJMARQQLVFMK-UHFFFAOYSA-N 1 0 369.487 2.612 20 5 FFBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCNc1cc[nH+]cc1 ZINC000505805561 515679238 /nfs/dbraw/zinc/67/92/38/515679238.db2.gz SMGDYUHEHJAVFK-UHFFFAOYSA-N 1 0 360.439 2.756 20 5 FFBDRO C[C@H]([NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1)C(=O)NCCF ZINC000500428127 515706243 /nfs/dbraw/zinc/70/62/43/515706243.db2.gz KEERZTJZCKMGSC-AWEZNQCLSA-N 1 0 374.416 2.927 20 5 FFBDRO CC(C)c1ccc(C[NH2+][C@@H]2CCC[C@H]2CNS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000500472098 515729099 /nfs/dbraw/zinc/72/90/99/515729099.db2.gz SGDGTQWIPACOCB-GOEBONIOSA-N 1 0 369.487 2.526 20 5 FFBDRO C[N@H+](CCNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])C1CCCC1 ZINC000487039886 515730694 /nfs/dbraw/zinc/73/06/94/515730694.db2.gz VMHTYHISAHRTPR-UHFFFAOYSA-N 1 0 368.865 2.964 20 5 FFBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@H](O)COCc1ccccc1F ZINC000511068312 515764446 /nfs/dbraw/zinc/76/44/46/515764446.db2.gz ZKYQESKOXKFHPY-KRWDZBQOSA-N 1 0 362.401 2.786 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCC[C@@](O)(CO)C3)o2)c(Cl)c1 ZINC000459742287 515783405 /nfs/dbraw/zinc/78/34/05/515783405.db2.gz YVCKYXHYHQPGQK-KRWDZBQOSA-N 1 0 366.801 2.827 20 5 FFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CN(Cc3ccccc3)CC[C@H]2CO)c(F)c1 ZINC000478387038 515802584 /nfs/dbraw/zinc/80/25/84/515802584.db2.gz QXFLKTQZQMAGTI-PXNSSMCTSA-N 1 0 373.428 2.707 20 5 FFBDRO C[C@@H](NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)C1=CC[N@H+](C)CC1 ZINC000511233229 515835251 /nfs/dbraw/zinc/83/52/51/515835251.db2.gz UIMNJEKYBGKIFU-CQSZACIVSA-N 1 0 358.442 2.919 20 5 FFBDRO C[C@@H](CNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1)[NH+]1CCC(C)CC1 ZINC000511564023 515945614 /nfs/dbraw/zinc/94/56/14/515945614.db2.gz YWGVXOOONNGVDY-INIZCTEOSA-N 1 0 362.474 2.899 20 5 FFBDRO CCOCCC[N@@H+]1CC[C@@H](NCc2ccc([N+](=O)[O-])c(OC)c2)[C@H](C)C1 ZINC000469789546 515968071 /nfs/dbraw/zinc/96/80/71/515968071.db2.gz YUHBGXAFAWJMQL-NVXWUHKLSA-N 1 0 365.474 2.830 20 5 FFBDRO CO[C@@]1(C)C[C@H]([N@H+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1(C)C ZINC000464820542 515972554 /nfs/dbraw/zinc/97/25/54/515972554.db2.gz FQBZTXYZDQUHEH-LPHOPBHVSA-N 1 0 361.442 2.619 20 5 FFBDRO CN(CC[NH+]1CCCC1)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000501087091 515974214 /nfs/dbraw/zinc/97/42/14/515974214.db2.gz SFPYGZPGCIPQEE-UHFFFAOYSA-N 1 0 371.235 2.917 20 5 FFBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000460118566 516031586 /nfs/dbraw/zinc/03/15/86/516031586.db2.gz VLRVZPPGPLYTHU-ZDUSSCGKSA-N 1 0 352.435 2.523 20 5 FFBDRO CN(CCN1CC[NH+](Cc2ccccc2)CC1)Cc1ccccc1[N+](=O)[O-] ZINC000511881257 516063340 /nfs/dbraw/zinc/06/33/40/516063340.db2.gz ZNRBFIWNMCATPA-UHFFFAOYSA-N 1 0 368.481 2.844 20 5 FFBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000495181693 516092061 /nfs/dbraw/zinc/09/20/61/516092061.db2.gz DMOPVSYDEUZPBV-ZDUSSCGKSA-N 1 0 374.363 2.897 20 5 FFBDRO NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000470131167 516134671 /nfs/dbraw/zinc/13/46/71/516134671.db2.gz FSCHRMJYMOIHEC-OWQGQXMQSA-N 1 0 355.394 2.941 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCCCC[N@H+](C)C1CC1 ZINC000455354549 516143054 /nfs/dbraw/zinc/14/30/54/516143054.db2.gz GBESQJBJMABEHI-UHFFFAOYSA-N 1 0 350.419 2.989 20 5 FFBDRO O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000470164356 516156811 /nfs/dbraw/zinc/15/68/11/516156811.db2.gz UGKTWDHUFSVFTD-CQSZACIVSA-N 1 0 354.410 2.890 20 5 FFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000470185051 516167834 /nfs/dbraw/zinc/16/78/34/516167834.db2.gz YAZIRTAWPYTXLS-VDKPFWJGSA-N 1 0 372.513 2.956 20 5 FFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCN(c2ncc(F)cn2)CC1 ZINC000470209041 516172343 /nfs/dbraw/zinc/17/23/43/516172343.db2.gz WYRPOOAXNMNUBI-NTEUORMPSA-N 1 0 357.389 2.749 20 5 FFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)C1(CCO)CCOCC1 ZINC000495466151 516173384 /nfs/dbraw/zinc/17/33/84/516173384.db2.gz WWODENXAISTQLJ-UHFFFAOYSA-N 1 0 352.431 2.745 20 5 FFBDRO Cc1ccc(S(=O)(=O)NCC2([NH+](C)C)CCCCCC2)c([N+](=O)[O-])c1 ZINC000507467757 516218207 /nfs/dbraw/zinc/21/82/07/516218207.db2.gz GCGJPDSKSLQGTH-UHFFFAOYSA-N 1 0 369.487 2.836 20 5 FFBDRO CCCN(CC[NH+](CC)CC)S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000460910166 516281022 /nfs/dbraw/zinc/28/10/22/516281022.db2.gz QEUNIEMPCCLPAH-UHFFFAOYSA-N 1 0 371.503 2.954 20 5 FFBDRO CC(=O)c1cc(N2CC[C@@H](OCC[NH+]3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000557640186 516352783 /nfs/dbraw/zinc/35/27/83/516352783.db2.gz QOPNFMKNLWTNSP-QGZVFWFLSA-N 1 0 361.442 2.879 20 5 FFBDRO C[N@H+](CC1CC1)C[C@H]1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000531340097 516416806 /nfs/dbraw/zinc/41/68/06/516416806.db2.gz YKFRFJUBDVQKPX-OAHLLOKOSA-N 1 0 361.442 2.625 20 5 FFBDRO C[C@@H]1COc2ccccc2C[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000543875431 516475126 /nfs/dbraw/zinc/47/51/26/516475126.db2.gz BBBMCBVNSIKDQP-RHSMWYFYSA-N 1 0 358.394 2.618 20 5 FFBDRO CC(C)(C[NH+]1CCCC1)NC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000517878942 516477569 /nfs/dbraw/zinc/47/75/69/516477569.db2.gz APMDAFYOSIJOKR-UHFFFAOYSA-N 1 0 373.457 2.792 20 5 FFBDRO CN(C)[C@@H](C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000557875511 516484062 /nfs/dbraw/zinc/48/40/62/516484062.db2.gz FFJCQKUCOQZNSN-QGZVFWFLSA-N 1 0 370.453 2.686 20 5 FFBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000561382980 516552916 /nfs/dbraw/zinc/55/29/16/516552916.db2.gz UUNNAULHDPYWDZ-CQSZACIVSA-N 1 0 356.426 2.887 20 5 FFBDRO O=C(CC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1)NCC1CCCCC1 ZINC000518256952 516591213 /nfs/dbraw/zinc/59/12/13/516591213.db2.gz SNJRISGNENTWKM-UHFFFAOYSA-N 1 0 374.485 2.803 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H](O)COc1ccc2c(c1)OCO2 ZINC000531695102 516599387 /nfs/dbraw/zinc/59/93/87/516599387.db2.gz BDVYUQFWSGMKMT-HIFRSBDPSA-N 1 0 374.393 2.722 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CC2(c3ccccc3)CC2)cc1 ZINC000558119287 516601808 /nfs/dbraw/zinc/60/18/08/516601808.db2.gz CKGGMZGCGXDAGK-UHFFFAOYSA-N 1 0 360.435 2.690 20 5 FFBDRO CCc1ccc([C@@H]2CCC[N@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000513400945 516606332 /nfs/dbraw/zinc/60/63/32/516606332.db2.gz IGAWCINNALTFLK-MJGOQNOKSA-N 1 0 358.442 2.594 20 5 FFBDRO COc1ccc(-c2ccc(C[NH2+][C@@H](C)C[S@](C)=O)o2)c([N+](=O)[O-])c1 ZINC000544167313 516622372 /nfs/dbraw/zinc/62/23/72/516622372.db2.gz IQHOJQHQXVGGNK-BUBHHJDNSA-N 1 0 352.412 2.720 20 5 FFBDRO CN(Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000513467896 516636761 /nfs/dbraw/zinc/63/67/61/516636761.db2.gz ZGXQYJAAWMKDCM-GOSISDBHSA-N 1 0 355.442 2.664 20 5 FFBDRO C[C@H](C(=O)NCCc1ccc([N+](=O)[O-])cc1)N1CCc2ccccc2C1 ZINC000518457903 516667860 /nfs/dbraw/zinc/66/78/60/516667860.db2.gz VWEZYQUXUOYYQJ-OAHLLOKOSA-N 1 0 353.422 2.700 20 5 FFBDRO CN(C(=O)c1ccc([N+](=O)[O-])cc1Br)[C@@H]1C[NH+]2CCC1CC2 ZINC000524254040 516680027 /nfs/dbraw/zinc/68/00/27/516680027.db2.gz JFXRHISRUGZAFU-CQSZACIVSA-N 1 0 368.231 2.524 20 5 FFBDRO Cc1c([C@H](C)[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000540745049 516693703 /nfs/dbraw/zinc/69/37/03/516693703.db2.gz DMEYTEYPRMUNKE-RDJZCZTQSA-N 1 0 364.490 2.646 20 5 FFBDRO CC[C@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1c(C)nn(C)c1C ZINC000544416761 516750869 /nfs/dbraw/zinc/75/08/69/516750869.db2.gz GBAUPZFWXJUWPR-INIZCTEOSA-N 1 0 371.441 2.575 20 5 FFBDRO CC[C@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1c(C)nn(C)c1C ZINC000544418237 516752141 /nfs/dbraw/zinc/75/21/41/516752141.db2.gz BJHZRRMJKUQDMG-INIZCTEOSA-N 1 0 359.430 2.649 20 5 FFBDRO C[C@H](O)C[N@@H+]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[C@H](C)C1 ZINC000551583040 516772688 /nfs/dbraw/zinc/77/26/88/516772688.db2.gz JEKBYPQWYZFOPG-CABCVRRESA-N 1 0 359.426 2.742 20 5 FFBDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000518786365 516773334 /nfs/dbraw/zinc/77/33/34/516773334.db2.gz YTYDEGSSGRPEOG-ZDUSSCGKSA-N 1 0 363.414 2.708 20 5 FFBDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000536487740 516786940 /nfs/dbraw/zinc/78/69/40/516786940.db2.gz FHFGZSFSMZGMTB-UHFFFAOYSA-N 1 0 371.441 2.707 20 5 FFBDRO Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000524772550 516824086 /nfs/dbraw/zinc/82/40/86/516824086.db2.gz ZZFBBTVMBHNMLX-UHFFFAOYSA-N 1 0 355.398 2.702 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]Cc2ccc(F)c(Cl)c2)cc1 ZINC000544597274 516831478 /nfs/dbraw/zinc/83/14/78/516831478.db2.gz YBWMYBJCDIJWDZ-UHFFFAOYSA-N 1 0 372.805 2.951 20 5 FFBDRO Cn1ccnc1[C@H](N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000514098398 516861785 /nfs/dbraw/zinc/86/17/85/516861785.db2.gz GOWHRWNYJABYSY-SOLBZPMBSA-N 1 0 355.442 2.634 20 5 FFBDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000514212112 516905299 /nfs/dbraw/zinc/90/52/99/516905299.db2.gz BGRPBSFYODNNDO-NSHDSACASA-N 1 0 357.357 2.610 20 5 FFBDRO O=C(Nc1ccccc1C[NH+]1CCC(O)CC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000537120435 517046023 /nfs/dbraw/zinc/04/60/23/517046023.db2.gz NUTZQMOXNKTROR-UHFFFAOYSA-N 1 0 373.384 2.943 20 5 FFBDRO COc1ccc(NC(=O)NCC[N@@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000519560238 517046141 /nfs/dbraw/zinc/04/61/41/517046141.db2.gz OYSVUUIBHVAPJM-UHFFFAOYSA-N 1 0 370.409 2.783 20 5 FFBDRO C[C@H]([NH2+]CCOc1ccc(S(C)(=O)=O)cc1)c1ccccc1[N+](=O)[O-] ZINC000537124976 517047886 /nfs/dbraw/zinc/04/78/86/517047886.db2.gz PVDGJZLELWTFED-ZDUSSCGKSA-N 1 0 364.423 2.728 20 5 FFBDRO C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1C(F)(F)F ZINC000537142852 517054578 /nfs/dbraw/zinc/05/45/78/517054578.db2.gz FRJGZJNIVLQBBK-CMPLNLGQSA-N 1 0 358.320 2.522 20 5 FFBDRO C[C@H]1CCCN(c2ccc(C(=O)N(C)[C@H]3CCC[N@H+](C)C3)cc2[N+](=O)[O-])C1 ZINC000525521509 517066822 /nfs/dbraw/zinc/06/68/22/517066822.db2.gz FNRGESWEXNJCAR-RDJZCZTQSA-N 1 0 374.485 2.997 20 5 FFBDRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000562399791 517081858 /nfs/dbraw/zinc/08/18/58/517081858.db2.gz JFHBXFGVTYQVRW-ZDUSSCGKSA-N 1 0 357.414 2.622 20 5 FFBDRO CS[C@@H]1CN(C(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)C[C@H]1[NH+]1CCCC1 ZINC000562403370 517082486 /nfs/dbraw/zinc/08/24/86/517082486.db2.gz IASUYBDCAIMDSK-IAOVAPTHSA-N 1 0 363.483 2.737 20 5 FFBDRO C[NH+](C)Cc1ccc(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)cn1 ZINC000559145748 517098654 /nfs/dbraw/zinc/09/86/54/517098654.db2.gz FDVANQTZAPRLLO-UHFFFAOYSA-N 1 0 367.409 2.505 20 5 FFBDRO O=C1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CN1[C@H]1C[C@@H]1c1ccccc1 ZINC000537313845 517139369 /nfs/dbraw/zinc/13/93/69/517139369.db2.gz GDLBLJSUVNKIRR-UHOSZYNNSA-N 1 0 351.406 2.841 20 5 FFBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]C[C@@H](CO)Cc2ccco2)c1 ZINC000532866285 517176193 /nfs/dbraw/zinc/17/61/93/517176193.db2.gz HYEMLVRZOPIFOA-NSHDSACASA-N 1 0 356.325 2.730 20 5 FFBDRO CN(C)[C@H](C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000548761223 517196132 /nfs/dbraw/zinc/19/61/32/517196132.db2.gz VFEWYHDLFIVSMG-GOSISDBHSA-N 1 0 356.426 2.816 20 5 FFBDRO CCS(=O)(=O)N1CCC(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000541768370 517206679 /nfs/dbraw/zinc/20/66/79/517206679.db2.gz UCFQZTGBXXEEMT-AWEZNQCLSA-N 1 0 369.487 2.616 20 5 FFBDRO COc1ccc(CC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1[N+](=O)[O-] ZINC000532991009 517241421 /nfs/dbraw/zinc/24/14/21/517241421.db2.gz CVSQWZHDWXAWST-DOTOQJQBSA-N 1 0 373.453 2.621 20 5 FFBDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000533048146 517267203 /nfs/dbraw/zinc/26/72/03/517267203.db2.gz JSNRHVVWLGOUAT-ZDUSSCGKSA-N 1 0 363.414 2.564 20 5 FFBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000559563178 517317914 /nfs/dbraw/zinc/31/79/14/517317914.db2.gz DGWBXIPRBJQFTQ-VIFPVBQESA-N 1 0 370.247 2.878 20 5 FFBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000548979761 517337664 /nfs/dbraw/zinc/33/76/64/517337664.db2.gz ZHCIBCYBDLGGHL-GOSISDBHSA-N 1 0 370.453 2.964 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000515524026 517392401 /nfs/dbraw/zinc/39/24/01/517392401.db2.gz UDRARHFPUDWUPH-OKILXGFUSA-N 1 0 369.487 2.550 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000515524027 517392439 /nfs/dbraw/zinc/39/24/39/517392439.db2.gz UDRARHFPUDWUPH-ZIAGYGMSSA-N 1 0 369.487 2.550 20 5 FFBDRO C[N@H+](CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C1CCCCC1 ZINC000515709235 517451840 /nfs/dbraw/zinc/45/18/40/517451840.db2.gz PCUQUOHUVRMTNS-UHFFFAOYSA-N 1 0 373.450 2.667 20 5 FFBDRO COc1ccc(CN2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000556507487 517468109 /nfs/dbraw/zinc/46/81/09/517468109.db2.gz CBPCVXVVDWDYKI-SFHVURJKSA-N 1 0 355.438 2.962 20 5 FFBDRO C[N@@H+]1CCC[C@H](CNC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000556565022 517495497 /nfs/dbraw/zinc/49/54/97/517495497.db2.gz XSSYAYKWDJHIJV-WBVHZDCISA-N 1 0 360.458 2.826 20 5 FFBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000542317556 517501630 /nfs/dbraw/zinc/50/16/30/517501630.db2.gz IXCNRDUKAIOVGM-CQSZACIVSA-N 1 0 369.487 2.700 20 5 FFBDRO COc1ccc(NC(=O)CC[N@@H+]2CCc3ccc(O)cc3C2)c([N+](=O)[O-])c1 ZINC000533531168 517508886 /nfs/dbraw/zinc/50/88/86/517508886.db2.gz QVZMQYNXRMNUOT-UHFFFAOYSA-N 1 0 371.393 2.696 20 5 FFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cnc2n1CCCC2 ZINC000556610194 517517245 /nfs/dbraw/zinc/51/72/45/517517245.db2.gz REFSWWTZCUBHNW-CYBMUJFWSA-N 1 0 357.414 2.635 20 5 FFBDRO O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000562979318 517550762 /nfs/dbraw/zinc/55/07/62/517550762.db2.gz YFUZLKNIWIDQPB-GOSISDBHSA-N 1 0 372.450 2.934 20 5 FFBDRO Cc1cc(NC[C@H](C)N2CC[NH+](C)CC2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000549486627 517587155 /nfs/dbraw/zinc/58/71/55/517587155.db2.gz BDMNBYDTKINOAX-LBPRGKRZSA-N 1 0 360.380 2.970 20 5 FFBDRO COc1ccc(CNC(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000516158267 517590853 /nfs/dbraw/zinc/59/08/53/517590853.db2.gz SEKFVQXAAWWZHE-KGLIPLIRSA-N 1 0 364.446 2.666 20 5 FFBDRO C[C@H]1C[NH+](C(C)(C)CNc2ncnc3sc([N+](=O)[O-])cc32)C[C@H](C)O1 ZINC000553247355 517600158 /nfs/dbraw/zinc/60/01/58/517600158.db2.gz VECNADWFMHGMJI-QWRGUYRKSA-N 1 0 365.459 2.899 20 5 FFBDRO CC(C)[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC000542680633 517685444 /nfs/dbraw/zinc/68/54/44/517685444.db2.gz CWGCUPCOMPAYAA-KRWDZBQOSA-N 1 0 363.439 2.750 20 5 FFBDRO O=C(CC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)NC1CCCCC1 ZINC000521347199 517699738 /nfs/dbraw/zinc/69/97/38/517699738.db2.gz MRUODFUUYUTUCA-CVEARBPZSA-N 1 0 363.462 2.704 20 5 FFBDRO COc1ccc(C[NH2+]Cc2cccc(N3CCOCC3)c2)cc1[N+](=O)[O-] ZINC000549829554 517732694 /nfs/dbraw/zinc/73/26/94/517732694.db2.gz XAUQTUPYIUABMB-UHFFFAOYSA-N 1 0 357.410 2.730 20 5 FFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]Cc1cnn2ccccc12 ZINC000556914169 517744134 /nfs/dbraw/zinc/74/41/34/517744134.db2.gz ZHLBYLIINNAUDJ-CYBMUJFWSA-N 1 0 353.382 2.749 20 5 FFBDRO Cn1cc(C[N@@H+]2CCC[C@H]3COCC[C@@H]32)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000538791498 517781377 /nfs/dbraw/zinc/78/13/77/517781377.db2.gz ADRPXEZOQUWHEJ-YJBOKZPZSA-N 1 0 356.426 2.996 20 5 FFBDRO CCO[C@@H]1C[C@H](Nc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)[C@@H]1n1cccn1 ZINC000556996037 517795867 /nfs/dbraw/zinc/79/58/67/517795867.db2.gz WPCREPWWSLGTDR-OTWHNJEPSA-N 1 0 367.409 2.900 20 5 FFBDRO CC[C@H](C)[NH2+][C@H](CNc1nc(C(=O)OC)ccc1[N+](=O)[O-])c1ccco1 ZINC000553601485 517803837 /nfs/dbraw/zinc/80/38/37/517803837.db2.gz MZUAVZYHZSLOIM-WCQYABFASA-N 1 0 362.386 2.911 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCCCCC[NH+]2CCCC2)c1C ZINC000557010912 517804355 /nfs/dbraw/zinc/80/43/55/517804355.db2.gz BBTKRFDHGKSTCE-UHFFFAOYSA-N 1 0 369.487 2.756 20 5 FFBDRO C[C@@H]1C[N@@H+](CCCCNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C[C@H](C)O1 ZINC000534256503 517808496 /nfs/dbraw/zinc/80/84/96/517808496.db2.gz QMAXMXOQPOXZSI-OKILXGFUSA-N 1 0 374.441 2.695 20 5 FFBDRO CS(=O)(=O)c1cccc(NCCCCC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000521647857 517811968 /nfs/dbraw/zinc/81/19/68/517811968.db2.gz QKZYYUBGAFITOA-UHFFFAOYSA-N 1 0 355.460 2.676 20 5 FFBDRO C[C@@H](CNC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1)C[NH+](C)C ZINC000557063617 517831620 /nfs/dbraw/zinc/83/16/20/517831620.db2.gz RUMKJFKZOHDSDV-GJZGRUSLSA-N 1 0 362.474 2.759 20 5 FFBDRO CC[N@@H+]1CCC[C@@H](CNc2ncc([N+](=O)[O-])c(C)c2Br)C1 ZINC000543031785 517874188 /nfs/dbraw/zinc/87/41/88/517874188.db2.gz CJPSCYYTJOKVFQ-NSHDSACASA-N 1 0 357.252 2.626 20 5 FFBDRO CNc1ccc(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)cc1[N+](=O)[O-] ZINC000539032179 517891385 /nfs/dbraw/zinc/89/13/85/517891385.db2.gz ACYPDYYGGZGEAZ-UHFFFAOYSA-N 1 0 369.425 2.678 20 5 FFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCc1cnc(C2CC2)nc1 ZINC000539041936 517894835 /nfs/dbraw/zinc/89/48/35/517894835.db2.gz SHYXAYPUZOLISD-CYBMUJFWSA-N 1 0 369.425 2.812 20 5 FFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCc1cnc(C2CC2)nc1 ZINC000539042914 517895994 /nfs/dbraw/zinc/89/59/94/517895994.db2.gz BSUXMCYRXYJSLW-ZDUSSCGKSA-N 1 0 369.425 2.812 20 5 FFBDRO CCOc1ccc([C@@H](C)[NH2+]CCC2CCS(=O)(=O)CC2)cc1[N+](=O)[O-] ZINC000539053022 517898497 /nfs/dbraw/zinc/89/84/97/517898497.db2.gz OIAYZOMRHNGLQX-CYBMUJFWSA-N 1 0 370.471 2.859 20 5 FFBDRO CC[C@H](C[C@@H](C)CC)[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000539071232 517901893 /nfs/dbraw/zinc/90/18/93/517901893.db2.gz PKVWYNUREZYJLQ-UONOGXRCSA-N 1 0 357.476 2.678 20 5 FFBDRO CCC[C@@H](C)[C@H](CC)[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000539073130 517903192 /nfs/dbraw/zinc/90/31/92/517903192.db2.gz NYFNKUXDBFHWFA-KGLIPLIRSA-N 1 0 357.476 2.678 20 5 FFBDRO CC[N@H+](CCC1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1)CC(C)C ZINC000539098924 517910681 /nfs/dbraw/zinc/91/06/81/517910681.db2.gz OUVCXTMQYAVMPC-UHFFFAOYSA-N 1 0 351.495 2.871 20 5 FFBDRO CCOC(=O)[C@]1(C(C)C)CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000516950035 517934175 /nfs/dbraw/zinc/93/41/75/517934175.db2.gz UWCOKEMFHCNBRH-GOSISDBHSA-N 1 0 350.415 2.885 20 5 FFBDRO CCOc1cc(NCc2ccncc2OCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000517022654 517982968 /nfs/dbraw/zinc/98/29/68/517982968.db2.gz XASSJCYLQBFLST-UHFFFAOYSA-N 1 0 360.414 2.941 20 5 FFBDRO CS[C@@H]1CN(C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)C[C@H]1[NH+](C)C ZINC000534827657 518046741 /nfs/dbraw/zinc/04/67/41/518046741.db2.gz GEEJJVZARFTBFM-KCPJHIHWSA-N 1 0 369.512 2.579 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)c1 ZINC000554113725 518065958 /nfs/dbraw/zinc/06/59/58/518065958.db2.gz UZBZMQFNSPGZBU-SUNYJGFJSA-N 1 0 361.442 2.796 20 5 FFBDRO O=[N+]([O-])c1cc2c(nc1N1CCC(OCC[NH+]3CCCC3)CC1)CCCC2 ZINC000517233273 518079695 /nfs/dbraw/zinc/07/96/95/518079695.db2.gz NCCPTYRIFLHJOA-UHFFFAOYSA-N 1 0 374.485 2.950 20 5 FFBDRO O=[N+]([O-])c1cccc2ncnc(N3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)c21 ZINC000543435062 518088646 /nfs/dbraw/zinc/08/86/46/518088646.db2.gz CTVYKKKYZQINBC-XJKSGUPXSA-N 1 0 353.426 2.991 20 5 FFBDRO Cc1c(Br)c(N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)ncc1[N+](=O)[O-] ZINC000543437359 518090309 /nfs/dbraw/zinc/09/03/09/518090309.db2.gz UBVMRRDKWLVVFD-NWDGAFQWSA-N 1 0 369.263 2.981 20 5 FFBDRO CC(C)n1cc([C@@H](C)[NH2+][C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cn1 ZINC000543503548 518120670 /nfs/dbraw/zinc/12/06/70/518120670.db2.gz CHKZXJAHVVNHCU-DYVFJYSZSA-N 1 0 357.414 2.828 20 5 FFBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000522651381 518140566 /nfs/dbraw/zinc/14/05/66/518140566.db2.gz NTVBZYMPKQIEBO-ZIAGYGMSSA-N 1 0 367.833 2.760 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@@H]1C ZINC000531141304 518152832 /nfs/dbraw/zinc/15/28/32/518152832.db2.gz QCCGODROAOLRSH-ZFWWWQNUSA-N 1 0 359.430 2.949 20 5 FFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H](O)Cc1ccccc1 ZINC000569605450 518205809 /nfs/dbraw/zinc/20/58/09/518205809.db2.gz ZZKWEGJRJMOHQW-RDTXWAMCSA-N 1 0 357.410 2.505 20 5 FFBDRO CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000584175258 518214971 /nfs/dbraw/zinc/21/49/71/518214971.db2.gz PRGFOCVRJYDGQU-HNNXBMFYSA-N 1 0 369.425 2.882 20 5 FFBDRO O=C(NCc1ccccc1[N+](=O)[O-])[C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1 ZINC000569705376 518249444 /nfs/dbraw/zinc/24/94/44/518249444.db2.gz GZHZBKJXZIYNEU-JKSUJKDBSA-N 1 0 359.813 2.868 20 5 FFBDRO CC[NH+]1CCC(CNC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000572629782 518285303 /nfs/dbraw/zinc/28/53/03/518285303.db2.gz GSYKUCVCJKSSQE-UHFFFAOYSA-N 1 0 368.865 2.822 20 5 FFBDRO O=C(Nc1ccc2c(c1)C[NH2+]CC2)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000578620761 518297209 /nfs/dbraw/zinc/29/72/09/518297209.db2.gz FTLIVFGOSATOHP-UHFFFAOYSA-N 1 0 352.394 2.831 20 5 FFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC[C@H](N2CCOCC2)C1 ZINC000567120313 518361155 /nfs/dbraw/zinc/36/11/55/518361155.db2.gz BJMGPUQZLKMVBQ-SFHVURJKSA-N 1 0 363.458 2.679 20 5 FFBDRO CC[N@@H+]1CCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000584546734 518392523 /nfs/dbraw/zinc/39/25/23/518392523.db2.gz OHUNVSZCASWJQF-GFCCVEGCSA-N 1 0 355.822 2.570 20 5 FFBDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)c1cc(F)cc2c1[nH]c1ccc(F)cc1c2=O ZINC000572999696 518459416 /nfs/dbraw/zinc/45/94/16/518459416.db2.gz SPOLEDZXGWJBHH-GHMZBOCLSA-N 1 0 371.387 2.769 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(C[NH2+][C@H]2CCCC[C@@H]2N2CCOCC2)c(F)c1 ZINC000584770936 518469594 /nfs/dbraw/zinc/46/95/94/518469594.db2.gz MUCRLUFRDFVLLO-IRXDYDNUSA-N 1 0 355.385 2.606 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000570323537 518550928 /nfs/dbraw/zinc/55/09/28/518550928.db2.gz VSQHHMBNWBTKKS-JKSUJKDBSA-N 1 0 364.442 2.806 20 5 FFBDRO Cn1c2cc(NC[C@H](c3ccccc3)[NH+](C)C)c([N+](=O)[O-])cc2n(C)c1=O ZINC000585702173 518565805 /nfs/dbraw/zinc/56/58/05/518565805.db2.gz VRPBYKSHEFSBFS-GOSISDBHSA-N 1 0 369.425 2.500 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CC2(c3cccc(F)c3)CC2)c1 ZINC000576389811 518567436 /nfs/dbraw/zinc/56/74/36/518567436.db2.gz DQCSEOLUJBQZEH-KRWDZBQOSA-N 1 0 360.385 2.795 20 5 FFBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000564754286 518597418 /nfs/dbraw/zinc/59/74/18/518597418.db2.gz KKADDFZGFWDQTE-GPMSIDNRSA-N 1 0 374.485 2.895 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000567625036 518620211 /nfs/dbraw/zinc/62/02/11/518620211.db2.gz CKLLBHJYVLUOEE-FPMFFAJLSA-N 1 0 367.833 2.711 20 5 FFBDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000576514326 518628690 /nfs/dbraw/zinc/62/86/90/518628690.db2.gz MSNFDAPOXQLGRB-SNVBAGLBSA-N 1 0 358.236 2.816 20 5 FFBDRO CC(C)(C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2)c1ccc([N+](=O)[O-])cc1 ZINC000567669928 518642710 /nfs/dbraw/zinc/64/27/10/518642710.db2.gz XFQVMLZYPVLECE-AWEZNQCLSA-N 1 0 354.410 2.722 20 5 FFBDRO COC1(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCC(C)CC1 ZINC000567699444 518662856 /nfs/dbraw/zinc/66/28/56/518662856.db2.gz NYVKWILOCWALSF-UHFFFAOYSA-N 1 0 370.471 2.553 20 5 FFBDRO C[NH+](C)[C@@H](CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000582325021 518697257 /nfs/dbraw/zinc/69/72/57/518697257.db2.gz QQNYDBNBVVGKFF-ZDUSSCGKSA-N 1 0 357.863 2.797 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000588034060 518706814 /nfs/dbraw/zinc/70/68/14/518706814.db2.gz AYYOVJUDPRNBJQ-CQSZACIVSA-N 1 0 365.430 2.603 20 5 FFBDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000564948358 518709702 /nfs/dbraw/zinc/70/97/02/518709702.db2.gz FFTFXRVEQVWOBI-QLJPJBMISA-N 1 0 371.387 2.687 20 5 FFBDRO Cc1[nH+]c2cc(NC[C@@H](O)COc3cccc([N+](=O)[O-])c3)ccc2n1C ZINC000573558459 518726163 /nfs/dbraw/zinc/72/61/63/518726163.db2.gz UYQKXZKCKMQMGZ-OAHLLOKOSA-N 1 0 356.382 2.642 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccnc(OCC[NH+](C)C)c2)c1 ZINC000573619157 518755432 /nfs/dbraw/zinc/75/54/32/518755432.db2.gz QGWLZPNJNKHWSM-UHFFFAOYSA-N 1 0 374.397 2.581 20 5 FFBDRO CCO[C@@H]1C[C@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C12CCCC2 ZINC000582513452 518788965 /nfs/dbraw/zinc/78/89/65/518788965.db2.gz FNGUOAOTVBKQQT-JCGIZDLHSA-N 1 0 364.442 2.662 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](c2cccnc2)C1 ZINC000576869841 518803200 /nfs/dbraw/zinc/80/32/00/518803200.db2.gz DHJVPQSZBYLZIZ-HNNXBMFYSA-N 1 0 370.409 2.817 20 5 FFBDRO CCN(CCC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1)CC(F)(F)F ZINC000576906947 518820772 /nfs/dbraw/zinc/82/07/72/518820772.db2.gz HNWXIIGJRLLIRO-UHFFFAOYSA-N 1 0 374.407 2.991 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000579948489 518933705 /nfs/dbraw/zinc/93/37/05/518933705.db2.gz HMOPAJVLQCWSAF-ZDUSSCGKSA-N 1 0 363.414 2.575 20 5 FFBDRO C[C@@H](O)C[C@H]1CCCCC[N@@H+]1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000589187594 518944184 /nfs/dbraw/zinc/94/41/84/518944184.db2.gz BCCPRWHRCSTQOU-UKRRQHHQSA-N 1 0 350.415 2.882 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1CN(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000589196065 518947762 /nfs/dbraw/zinc/94/77/62/518947762.db2.gz BOTPLZCQEFIYRV-QGZVFWFLSA-N 1 0 351.447 2.536 20 5 FFBDRO O=[N+]([O-])c1cc(I)ccc1N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000571150957 518950986 /nfs/dbraw/zinc/95/09/86/518950986.db2.gz ADSJLLXHFMHLJP-PHIMTYICSA-N 1 0 373.194 2.530 20 5 FFBDRO Cc1cc2ncn(C[C@@H](O)C[NH2+]CCc3ccccc3[N+](=O)[O-])c2cc1C ZINC000574150678 519012088 /nfs/dbraw/zinc/01/20/88/519012088.db2.gz FCTARFPICDPTJJ-KRWDZBQOSA-N 1 0 368.437 2.755 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]C[C@H](O)COc1ccccc1F ZINC000568383334 519013135 /nfs/dbraw/zinc/01/31/35/519013135.db2.gz BVLBSUMBHGGCQZ-AWEZNQCLSA-N 1 0 368.792 2.959 20 5 FFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ncccc1N(C)C ZINC000574243175 519057488 /nfs/dbraw/zinc/05/74/88/519057488.db2.gz CPJUWAWQGYCEHE-CYBMUJFWSA-N 1 0 357.414 2.563 20 5 FFBDRO CC(C)[NH2+][C@H]1CCCN(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000589679448 519061597 /nfs/dbraw/zinc/06/15/97/519061597.db2.gz BFNVBVBCKDRAEA-HNNXBMFYSA-N 1 0 373.457 2.791 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]Cc2ccc(Cl)cc2F)c1 ZINC000565654024 519065887 /nfs/dbraw/zinc/06/58/87/519065887.db2.gz NDSBHHCHQRJTIR-CQSZACIVSA-N 1 0 354.765 2.917 20 5 FFBDRO C[C@@H](CN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000565732703 519105338 /nfs/dbraw/zinc/10/53/38/519105338.db2.gz VXHQVZUKNREQFF-YJBOKZPZSA-N 1 0 357.458 2.739 20 5 FFBDRO CCC(CC)(CNC(=O)c1c[nH]nc1[N+](=O)[O-])[NH2+][C@H](C)c1ccccc1 ZINC000580297113 519105472 /nfs/dbraw/zinc/10/54/72/519105472.db2.gz KNEOALYJRHQSAZ-CYBMUJFWSA-N 1 0 359.430 2.957 20 5 FFBDRO COc1ccc(CC(=O)N[C@@H](CC(C)C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000583245151 519148908 /nfs/dbraw/zinc/14/89/08/519148908.db2.gz RPYHVRFDFOUEFT-INIZCTEOSA-N 1 0 363.458 2.773 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@H]2CCC3(CCCCC3)O2)c1 ZINC000577742140 519233098 /nfs/dbraw/zinc/23/30/98/519233098.db2.gz ABYMYMZOOHNJQL-SJLPKXTDSA-N 1 0 364.442 2.806 20 5 FFBDRO C[N@@H+]1C[C@H]2CCN(C(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000590446473 519236009 /nfs/dbraw/zinc/23/60/09/519236009.db2.gz VOBVPFYNTLEUHX-ZWNOBZJWSA-N 1 0 355.847 2.503 20 5 FFBDRO CN1CC[NH+](CCCCN[C@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)CC1 ZINC000566073995 519282643 /nfs/dbraw/zinc/28/26/43/519282643.db2.gz QCUKJIGIKHGIFI-MRXNPFEDSA-N 1 0 374.407 2.815 20 5 FFBDRO CC1CCN(c2ccc(C(=O)NC[C@@]3(C)CCC[NH2+]C3)cc2[N+](=O)[O-])CC1 ZINC000566099966 519298499 /nfs/dbraw/zinc/29/84/99/519298499.db2.gz KRPOVJSMMJIEDB-FQEVSTJZSA-N 1 0 374.485 2.951 20 5 FFBDRO Cc1c2ccccc2n(C)c1C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000566123582 519316505 /nfs/dbraw/zinc/31/65/05/519316505.db2.gz MGPAKTSRGXXWMJ-HNNXBMFYSA-N 1 0 369.421 2.924 20 5 FFBDRO CC(C)N(C)c1ccccc1C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000566132276 519322173 /nfs/dbraw/zinc/32/21/73/519322173.db2.gz VTLLXTZKBXVFCF-GOSISDBHSA-N 1 0 373.453 2.969 20 5 FFBDRO CSc1cccc(F)c1C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000574805731 519342249 /nfs/dbraw/zinc/34/22/49/519342249.db2.gz IVYQIDONLWBYHG-ZDUSSCGKSA-N 1 0 366.414 2.985 20 5 FFBDRO CCC[NH+]1CCC(N[C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000583684552 519381243 /nfs/dbraw/zinc/38/12/43/519381243.db2.gz XNWZIMBBJOHANK-GOSISDBHSA-N 1 0 357.458 2.882 20 5 FFBDRO [NH3+]CCCN(CC1CCCC1)C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000583692707 519386037 /nfs/dbraw/zinc/38/60/37/519386037.db2.gz XKDNGHSCQJACRL-UHFFFAOYSA-N 1 0 371.441 2.762 20 5 FFBDRO COC(=O)COc1ccc(C[N@@H+]2CC[C@H](c3cccnc3)C2)cc1[N+](=O)[O-] ZINC000566247892 519392647 /nfs/dbraw/zinc/39/26/47/519392647.db2.gz ZBEDWDRUEQGVQI-INIZCTEOSA-N 1 0 371.393 2.531 20 5 FFBDRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000578069528 519402019 /nfs/dbraw/zinc/40/20/19/519402019.db2.gz HRQQQMZZUCAHOC-FOCQTFQBSA-N 1 0 368.231 2.603 20 5 FFBDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1c1ccc2ncccc2c1[N+](=O)[O-] ZINC000575036030 519463214 /nfs/dbraw/zinc/46/32/14/519463214.db2.gz NSOXNCOHNCMXMZ-CQSZACIVSA-N 1 0 356.426 2.833 20 5 FFBDRO CN(c1ccccc1)c1ccc(C[NH2+]C[C@@H]2CCCNC2=O)cc1[N+](=O)[O-] ZINC000590971906 519464936 /nfs/dbraw/zinc/46/49/36/519464936.db2.gz VWRWCBXAXISHDO-INIZCTEOSA-N 1 0 368.437 2.979 20 5 FFBDRO CC[NH+](CC)CCO[C@@H]1CCN(c2nc3c(cc2[N+](=O)[O-])CCCC3)C1 ZINC000581069342 519508580 /nfs/dbraw/zinc/50/85/80/519508580.db2.gz PYYUPQCJDWDBHU-MRXNPFEDSA-N 1 0 362.474 2.806 20 5 FFBDRO NC(=O)C1CC[NH+](Cc2ccc(CNc3sccc3[N+](=O)[O-])cc2)CC1 ZINC000591198529 519545122 /nfs/dbraw/zinc/54/51/22/519545122.db2.gz DGCAEIQEBFZYKD-UHFFFAOYSA-N 1 0 374.466 2.966 20 5 FFBDRO COc1c(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000581213263 519579274 /nfs/dbraw/zinc/57/92/74/519579274.db2.gz YBGNYAITGNVNLH-PBHICJAKSA-N 1 0 369.421 2.996 20 5 FFBDRO CC[C@@H]1CN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC[C@H]1[NH3+] ZINC000591357232 519607670 /nfs/dbraw/zinc/60/76/70/519607670.db2.gz SKRVYOLPKSWBFH-BXUZGUMPSA-N 1 0 374.363 2.882 20 5 FFBDRO O=[N+]([O-])c1cc(Br)cnc1N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000591444771 519626449 /nfs/dbraw/zinc/62/64/49/519626449.db2.gz TZPJRGDGTOGACK-GHMZBOCLSA-N 1 0 355.236 2.578 20 5 FFBDRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000599917846 519949976 /nfs/dbraw/zinc/94/99/76/519949976.db2.gz XQPAEPSJWDELKJ-AWEZNQCLSA-N 1 0 374.363 2.753 20 5 FFBDRO CCn1nc(C)c(C[N@H+](C)CCOc2ccc(OC)cc2[N+](=O)[O-])c1C ZINC000602926440 519976862 /nfs/dbraw/zinc/97/68/62/519976862.db2.gz QVRMSVKWJMKBAT-UHFFFAOYSA-N 1 0 362.430 2.947 20 5 FFBDRO CCC1([NH+]2CCCC2)CCN(C(=O)Nc2c(C)cncc2[N+](=O)[O-])CC1 ZINC000602948355 519987269 /nfs/dbraw/zinc/98/72/69/519987269.db2.gz QOOHPFYDEYXIGI-UHFFFAOYSA-N 1 0 361.446 2.592 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000600007466 519998488 /nfs/dbraw/zinc/99/84/88/519998488.db2.gz SRSUZFYUONTLAL-UHFFFAOYSA-N 1 0 367.833 2.575 20 5 FFBDRO C[C@H]1CCCN(c2ccc(C(=O)N[C@H]3CC34CC[NH2+]CC4)cc2[N+](=O)[O-])C1 ZINC000591685972 519998558 /nfs/dbraw/zinc/99/85/58/519998558.db2.gz GAFAPOZELKWVIW-KSSFIOAISA-N 1 0 372.469 2.703 20 5 FFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1c2ccccc2C[C@@H]1O ZINC000594519352 520011767 /nfs/dbraw/zinc/01/17/67/520011767.db2.gz PYVVBPVKGDGFIE-LWLIDHTLSA-N 1 0 355.394 2.560 20 5 FFBDRO C[C@@H](C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])Oc1ccc(F)cc1 ZINC000591744981 520019748 /nfs/dbraw/zinc/01/97/48/520019748.db2.gz YHMMUJCVXGDVFH-ZFWWWQNUSA-N 1 0 364.373 2.531 20 5 FFBDRO CC(C)(C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCCO1 ZINC000591753666 520022181 /nfs/dbraw/zinc/02/21/81/520022181.db2.gz CDRKOBNSFYXVMC-MRXNPFEDSA-N 1 0 370.471 2.553 20 5 FFBDRO CC(C)(C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCCO1 ZINC000591753664 520023505 /nfs/dbraw/zinc/02/35/05/520023505.db2.gz CDRKOBNSFYXVMC-INIZCTEOSA-N 1 0 370.471 2.553 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]C[C@@H](O)COc1ccc(F)cc1 ZINC000591759015 520027119 /nfs/dbraw/zinc/02/71/19/520027119.db2.gz PWJIYAWJKDFAAM-OAHLLOKOSA-N 1 0 368.792 2.959 20 5 FFBDRO O=C(NC1CC1)c1ccc(N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c([N+](=O)[O-])c1 ZINC000594604474 520051016 /nfs/dbraw/zinc/05/10/16/520051016.db2.gz ZORZQZBNOXUCOE-RDJZCZTQSA-N 1 0 358.442 2.916 20 5 FFBDRO COc1cccc(OC)c1C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000594717598 520109734 /nfs/dbraw/zinc/10/97/34/520109734.db2.gz CUHFYBXOTNEVSR-UHFFFAOYSA-N 1 0 359.382 2.730 20 5 FFBDRO COc1cc(CNc2ccc([C@@H]3C[NH2+]CCO3)cc2)c([N+](=O)[O-])cc1OC ZINC000594739895 520125249 /nfs/dbraw/zinc/12/52/49/520125249.db2.gz RLBKSOIGOYHKES-IBGZPJMESA-N 1 0 373.409 2.885 20 5 FFBDRO O=C(NC[C@H]1CC[N@@H+]1C1CCCCC1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000600230076 520140275 /nfs/dbraw/zinc/14/02/75/520140275.db2.gz ZBWYDDPDQLPYNF-CQSZACIVSA-N 1 0 357.414 2.608 20 5 FFBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000594790572 520157587 /nfs/dbraw/zinc/15/75/87/520157587.db2.gz NHBWGDCKLUZWNV-CYBMUJFWSA-N 1 0 369.487 2.556 20 5 FFBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000609029910 520180169 /nfs/dbraw/zinc/18/01/69/520180169.db2.gz KKRRTOYRUCXFOH-UHFFFAOYSA-N 1 0 369.487 2.644 20 5 FFBDRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000597701623 520187217 /nfs/dbraw/zinc/18/72/17/520187217.db2.gz VHCAWRBYEBJWCH-TVQRCGJNSA-N 1 0 356.220 2.522 20 5 FFBDRO CC(C)Oc1cc(C(=O)N2CCC[C@@]3(CC[N@H+](C)C3)C2)ccc1[N+](=O)[O-] ZINC000597710362 520190472 /nfs/dbraw/zinc/19/04/72/520190472.db2.gz LCZYVACZSIUOFI-IBGZPJMESA-N 1 0 361.442 2.940 20 5 FFBDRO COc1cc(C[NH2+]Cc2ccc(CNC(C)=O)cc2)c([N+](=O)[O-])cc1OC ZINC000594948943 520225054 /nfs/dbraw/zinc/22/50/54/520225054.db2.gz CBFDGUMYUFIKTB-UHFFFAOYSA-N 1 0 373.409 2.538 20 5 FFBDRO C[S@](=O)[C@H]1CCC[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000594962578 520230468 /nfs/dbraw/zinc/23/04/68/520230468.db2.gz RTXKKJPOROWSJV-SINSKDIDSA-N 1 0 362.398 2.976 20 5 FFBDRO COc1ccc(C[NH2+]C/C=C\CO)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000594974928 520236691 /nfs/dbraw/zinc/23/66/91/520236691.db2.gz NZSLXVUJGYIIFA-IHWYPQMZSA-N 1 0 358.394 2.821 20 5 FFBDRO CC1([NH+]2CCOCC2)CCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000600412177 520246161 /nfs/dbraw/zinc/24/61/61/520246161.db2.gz YRNUXKFLFPTMGG-UHFFFAOYSA-N 1 0 367.833 2.575 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCCNC(=O)c1occc1C ZINC000595019918 520259012 /nfs/dbraw/zinc/25/90/12/520259012.db2.gz SFEFWCDDXIGKBI-ZDUSSCGKSA-N 1 0 361.398 2.976 20 5 FFBDRO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)[C@@]12CCCO2 ZINC000595033737 520263855 /nfs/dbraw/zinc/26/38/55/520263855.db2.gz SWKRHAAHPXHFLW-IUHNQTRMSA-N 1 0 350.415 2.981 20 5 FFBDRO CC(C)[C@H]1CN(C(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000592248279 520287635 /nfs/dbraw/zinc/28/76/35/520287635.db2.gz XZOHYKQLNRWBNM-NVXWUHKLSA-N 1 0 374.485 2.901 20 5 FFBDRO COC1CC[NH+](C(C)(C)CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000609346982 520290615 /nfs/dbraw/zinc/29/06/15/520290615.db2.gz CVNFRFAOGICAMD-UHFFFAOYSA-N 1 0 374.441 2.695 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC(C)(C)[C@]1(O)CCCOC1 ZINC000595093493 520291121 /nfs/dbraw/zinc/29/11/21/520291121.db2.gz BMRBVPIDMAXERI-ACJLOTCBSA-N 1 0 352.431 2.822 20 5 FFBDRO O=C1N(CC[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C[C@@H]2CCCCN12 ZINC000595098070 520292582 /nfs/dbraw/zinc/29/25/82/520292582.db2.gz BQAFTXVDHUWFDR-ROUUACIJSA-N 1 0 372.469 2.796 20 5 FFBDRO NC(=O)CC1(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCCCC1 ZINC000595099899 520293108 /nfs/dbraw/zinc/29/31/08/520293108.db2.gz QBVYVLVWLHVVAN-GJZGRUSLSA-N 1 0 363.462 2.691 20 5 FFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCN1C[C@H]2CCCCN2C1=O ZINC000595099273 520293250 /nfs/dbraw/zinc/29/32/50/520293250.db2.gz GLSOFESTGROJRW-NVXWUHKLSA-N 1 0 360.458 2.796 20 5 FFBDRO CC(C)(C)N1C[C@H](C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1=O ZINC000595102814 520294478 /nfs/dbraw/zinc/29/44/78/520294478.db2.gz METPWFHYIDCUOT-KKUMJFAQSA-N 1 0 363.462 2.512 20 5 FFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)cc1 ZINC000613063888 520299100 /nfs/dbraw/zinc/29/91/00/520299100.db2.gz GOGMRHIJWURMHK-TZIWHRDSSA-N 1 0 369.465 2.610 20 5 FFBDRO O=C1[C@@H](N2CCC([NH+]3CCCCC3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000609449381 520316239 /nfs/dbraw/zinc/31/62/39/520316239.db2.gz JRNCCKJKVWJCRN-IBGZPJMESA-N 1 0 372.469 2.650 20 5 FFBDRO CNc1ccc(C(=O)N2CC[C@H](c3cccc(F)c3)[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000595224818 520359381 /nfs/dbraw/zinc/35/93/81/520359381.db2.gz HSEWACGHOLMDQO-HZPDHXFCSA-N 1 0 372.400 2.733 20 5 FFBDRO Cc1ccc(C(=O)N2CC[C@H](c3cccc(F)c3)[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000595225299 520359575 /nfs/dbraw/zinc/35/95/75/520359575.db2.gz MTWIYXCFJOKMBK-IAGOWNOFSA-N 1 0 357.385 2.999 20 5 FFBDRO COc1ccc(NC(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)cc1[N+](=O)[O-] ZINC000595231223 520363663 /nfs/dbraw/zinc/36/36/63/520363663.db2.gz NTTCCUJCXOVWEP-AWEZNQCLSA-N 1 0 362.430 2.847 20 5 FFBDRO CNc1ccc(C(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000609583036 520364916 /nfs/dbraw/zinc/36/49/16/520364916.db2.gz JVZVDHYQIRGEOK-UHFFFAOYSA-N 1 0 372.425 2.966 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CCOC[C@H]3CCOC3)cs2)c1 ZINC000609600586 520373814 /nfs/dbraw/zinc/37/38/14/520373814.db2.gz KBPPAKXSEKRRCO-ZDUSSCGKSA-N 1 0 363.439 2.861 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC000595254583 520375213 /nfs/dbraw/zinc/37/52/13/520375213.db2.gz ZVVCTBYJFIKLQR-OAHLLOKOSA-N 1 0 369.421 2.912 20 5 FFBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000595257947 520377086 /nfs/dbraw/zinc/37/70/86/520377086.db2.gz OXTUYDLZJDNARE-QGZVFWFLSA-N 1 0 373.434 2.987 20 5 FFBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000595264887 520380694 /nfs/dbraw/zinc/38/06/94/520380694.db2.gz TYNZKIRVGQNZOG-RTBURBONSA-N 1 0 368.437 2.582 20 5 FFBDRO O=[N+]([O-])c1cc(C[NH2+][C@]2(CO)CCCN(Cc3ccccc3)C2)cs1 ZINC000609620420 520382480 /nfs/dbraw/zinc/38/24/80/520382480.db2.gz KYVRDPDAGYDLPJ-GOSISDBHSA-N 1 0 361.467 2.773 20 5 FFBDRO Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CC[C@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000592471488 520403931 /nfs/dbraw/zinc/40/39/31/520403931.db2.gz MCKOUYMGZWODON-DNVCBOLYSA-N 1 0 368.437 2.864 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000598062174 520405419 /nfs/dbraw/zinc/40/54/19/520405419.db2.gz MVXURXPIWGDJNA-UHFFFAOYSA-N 1 0 368.437 2.940 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2noc(CN3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)n2)cc1 ZINC000592478413 520406954 /nfs/dbraw/zinc/40/69/54/520406954.db2.gz APRVUNOHHGYVIQ-HOCLYGCPSA-N 1 0 357.414 2.609 20 5 FFBDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000609696255 520409900 /nfs/dbraw/zinc/40/99/00/520409900.db2.gz VFBIIKBSSFRZFX-CQSZACIVSA-N 1 0 356.426 2.889 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)cc1C ZINC000609708729 520412236 /nfs/dbraw/zinc/41/22/36/520412236.db2.gz OQJFFFXGBCAZDY-MRXNPFEDSA-N 1 0 371.503 2.856 20 5 FFBDRO C[C@H](NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000609731657 520416304 /nfs/dbraw/zinc/41/63/04/520416304.db2.gz HMTYBTGWMJWDJY-LBPRGKRZSA-N 1 0 369.849 2.864 20 5 FFBDRO CCN(CC[NH3+])[C@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000600722130 520424565 /nfs/dbraw/zinc/42/45/65/520424565.db2.gz YCEPDDVSEZUFHU-SFHVURJKSA-N 1 0 356.426 2.864 20 5 FFBDRO COc1cc(CN2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000600747730 520444784 /nfs/dbraw/zinc/44/47/84/520444784.db2.gz KGOISAGPRWNTKT-CALCHBBNSA-N 1 0 371.384 2.636 20 5 FFBDRO CC[C@@H]1CN(C(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000592544335 520451440 /nfs/dbraw/zinc/45/14/40/520451440.db2.gz BWFRAJPOIJRZOF-WZRBSPASSA-N 1 0 355.822 2.601 20 5 FFBDRO CCOc1ccc(C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000592554602 520454527 /nfs/dbraw/zinc/45/45/27/520454527.db2.gz IQOUYINBTKOARY-JKSUJKDBSA-N 1 0 361.442 2.845 20 5 FFBDRO CN(c1ccccc1)c1ccc(CNCC2([NH3+])CCOCC2)cc1[N+](=O)[O-] ZINC000600772571 520459746 /nfs/dbraw/zinc/45/97/46/520459746.db2.gz FENDYTOPGFVUGI-UHFFFAOYSA-N 1 0 370.453 2.960 20 5 FFBDRO C[C@@H](c1ccc(-c2cc([N+](=O)[O-])ccc2CCO)cc1)N1CC[NH2+]CC1 ZINC000600791268 520471908 /nfs/dbraw/zinc/47/19/08/520471908.db2.gz FCWAEHSLPDKZAW-HNNXBMFYSA-N 1 0 355.438 2.763 20 5 FFBDRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000604192003 520479057 /nfs/dbraw/zinc/47/90/57/520479057.db2.gz IQQNTGRAGUKRAM-KRWDZBQOSA-N 1 0 370.453 2.686 20 5 FFBDRO Cc1noc(C[NH2+][C@@H](C)C2CCN(CC(F)(F)F)CC2)c1[N+](=O)[O-] ZINC000595476892 520495599 /nfs/dbraw/zinc/49/55/99/520495599.db2.gz POEYLPRWWPMGSH-VIFPVBQESA-N 1 0 350.341 2.644 20 5 FFBDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000598265968 520529114 /nfs/dbraw/zinc/52/91/14/520529114.db2.gz XDHVANXHCOEEOV-CYBMUJFWSA-N 1 0 372.425 2.699 20 5 FFBDRO Cc1c(CNC(=O)NCC2CC[NH+](CC3CC3)CC2)cccc1[N+](=O)[O-] ZINC000595587089 520571595 /nfs/dbraw/zinc/57/15/95/520571595.db2.gz CDZOZIPCFRNIOF-UHFFFAOYSA-N 1 0 360.458 2.824 20 5 FFBDRO CN(CC[N@H+](C)C1CCCCC1)C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000604482637 520573893 /nfs/dbraw/zinc/57/38/93/520573893.db2.gz YDDDJHNUNFESSO-UHFFFAOYSA-N 1 0 363.414 2.660 20 5 FFBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000595636248 520613864 /nfs/dbraw/zinc/61/38/64/520613864.db2.gz QVJNINDUBRCWHA-FMSGJZPZSA-N 1 0 367.833 2.668 20 5 FFBDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000610310602 520631754 /nfs/dbraw/zinc/63/17/54/520631754.db2.gz KTIMYSWOZQLUBT-INIZCTEOSA-N 1 0 356.426 2.527 20 5 FFBDRO Cc1cc(C(=O)NC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)cc([N+](=O)[O-])c1 ZINC000592883467 520635032 /nfs/dbraw/zinc/63/50/32/520635032.db2.gz ZTGORKQEKPPAPT-MJGOQNOKSA-N 1 0 353.422 2.978 20 5 FFBDRO O=[N+]([O-])c1cc(F)cnc1N1CCC([NH2+]CCOc2ccccc2)CC1 ZINC000601118507 520644899 /nfs/dbraw/zinc/64/48/99/520644899.db2.gz NWYLPCMVBJCLIG-UHFFFAOYSA-N 1 0 360.389 2.766 20 5 FFBDRO CC[C@@H]1CN(C(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)C[C@H](C)[NH2+]1 ZINC000598531293 520683666 /nfs/dbraw/zinc/68/36/66/520683666.db2.gz IKZHMEDDNCOAOV-JOYOIKCWSA-N 1 0 370.247 2.878 20 5 FFBDRO CN(C(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000595788324 520725960 /nfs/dbraw/zinc/72/59/60/520725960.db2.gz JCKGWSIWZNQEEC-QAPCUYQASA-N 1 0 361.442 2.839 20 5 FFBDRO COC(=O)c1ccnc(N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1[N+](=O)[O-] ZINC000598610160 520740211 /nfs/dbraw/zinc/74/02/11/520740211.db2.gz DZPRIRXFFFXPDS-STQMWFEESA-N 1 0 362.430 2.841 20 5 FFBDRO COC(=O)c1ccnc(N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000598614584 520744674 /nfs/dbraw/zinc/74/46/74/520744674.db2.gz LTOAOYBEIWCOPI-CZUORRHYSA-N 1 0 370.409 2.709 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N2[C@H](C)C[N@H+](C)[C@H](C)[C@@H]2C)cc1SC ZINC000593189142 520813099 /nfs/dbraw/zinc/81/30/99/520813099.db2.gz WEUYUNRQPOQMLO-UTUOFQBUSA-N 1 0 367.471 2.878 20 5 FFBDRO C[C@@H]1[C@@H](C)[N@@H+](C)C[C@H](C)N1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000593188463 520813371 /nfs/dbraw/zinc/81/33/71/520813371.db2.gz IAVSDAZCYPKBCI-HBNTYKKESA-N 1 0 370.247 2.910 20 5 FFBDRO Cc1cccc(C(=O)N2CC[C@@H](OCC[NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000610733149 520820819 /nfs/dbraw/zinc/82/08/19/520820819.db2.gz NIXBFHCAURROTL-MRXNPFEDSA-N 1 0 361.442 2.620 20 5 FFBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595935027 520831517 /nfs/dbraw/zinc/83/15/17/520831517.db2.gz QOXSDWJSTNCJPW-MRXNPFEDSA-N 1 0 360.458 2.635 20 5 FFBDRO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000601558076 520839818 /nfs/dbraw/zinc/83/98/18/520839818.db2.gz QTYLCIZQCREQKB-ZWNOBZJWSA-N 1 0 368.231 2.571 20 5 FFBDRO CCn1cc([N+](=O)[O-])c(C(=O)NCCC[N@H+](CC)C2CCCCC2)n1 ZINC000593250466 520857137 /nfs/dbraw/zinc/85/71/37/520857137.db2.gz NZAWRTBPTOZTJP-UHFFFAOYSA-N 1 0 351.451 2.586 20 5 FFBDRO C[C@H]1CCCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)[C@H]1CC[NH3+] ZINC000596015138 520859183 /nfs/dbraw/zinc/85/91/83/520859183.db2.gz YXAHNWQGQJXAIM-KBPBESRZSA-N 1 0 366.437 2.524 20 5 FFBDRO CC(C)[C@H](O)[C@@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000596065123 520889884 /nfs/dbraw/zinc/88/98/84/520889884.db2.gz DSVWOIZWWXHVSH-UXPWSPDFSA-N 1 0 374.437 2.682 20 5 FFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CNc2ccccc2C1 ZINC000593317178 520905518 /nfs/dbraw/zinc/90/55/18/520905518.db2.gz RIOINUZVSDSYSR-XJKSGUPXSA-N 1 0 354.410 2.938 20 5 FFBDRO O=C(NCCC[NH2+]Cc1cccnc1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000598916559 520915530 /nfs/dbraw/zinc/91/55/30/520915530.db2.gz BCNRQWZHLGXUDS-UHFFFAOYSA-N 1 0 363.805 2.945 20 5 FFBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+][C@H]1CCc3cc(O)ccc3C1)OCCO2 ZINC000618197805 520930502 /nfs/dbraw/zinc/93/05/02/520930502.db2.gz AFQSNBMSWMGQDF-HNNXBMFYSA-N 1 0 356.378 2.719 20 5 FFBDRO COC(=O)c1c(Cl)c(N(C)[C@H]2CC[N@H+](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000596150990 520940604 /nfs/dbraw/zinc/94/06/04/520940604.db2.gz GWDIBOVKSOTSEH-MNOVXSKESA-N 1 0 355.822 2.811 20 5 FFBDRO C[C@@H]1[C@@H](Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)CC[N@@H+]1Cc1ccccc1 ZINC000596236440 520988283 /nfs/dbraw/zinc/98/82/83/520988283.db2.gz VVAVVEVENPRDAN-DYVFJYSZSA-N 1 0 354.410 2.769 20 5 FFBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000596256891 520998009 /nfs/dbraw/zinc/99/80/09/520998009.db2.gz IDIGMUUTCXQDBQ-HNNXBMFYSA-N 1 0 368.437 2.652 20 5 FFBDRO C[NH+]1CCC2(CC1)CN(c1ccc(C(F)(F)F)c([N+](=O)[O-])c1)CCO2 ZINC000596293771 521012537 /nfs/dbraw/zinc/01/25/37/521012537.db2.gz XKRPOFJUPQCDGW-UHFFFAOYSA-N 1 0 359.348 2.915 20 5 FFBDRO C[C@@H]1CCC[N@H+](CCNC(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000599072942 521015847 /nfs/dbraw/zinc/01/58/47/521015847.db2.gz LVRIDENDNMQZDI-LLVKDONJSA-N 1 0 370.247 2.819 20 5 FFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CCN1C1CCCC1 ZINC000599072880 521016890 /nfs/dbraw/zinc/01/68/90/521016890.db2.gz BDTXCARKOZXVRH-KSSFIOAISA-N 1 0 360.458 2.918 20 5 FFBDRO C[N@@H+]1CCN(c2nc3sccn3c2[N+](=O)[O-])[C@@H](Cc2ccccc2)C1 ZINC000593503941 521036829 /nfs/dbraw/zinc/03/68/29/521036829.db2.gz NFHFQXMXXQTCEP-AWEZNQCLSA-N 1 0 357.439 2.667 20 5 FFBDRO CC1([NH+]2CCOCC2)CCN(c2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000599160159 521062900 /nfs/dbraw/zinc/06/29/00/521062900.db2.gz IBPQOYOTTBMUCK-UHFFFAOYSA-N 1 0 356.426 2.834 20 5 FFBDRO CCOC(=O)CC[N@@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)CC1CC1 ZINC000611265168 521065592 /nfs/dbraw/zinc/06/55/92/521065592.db2.gz GCIXUCUFGLOMNS-UHFFFAOYSA-N 1 0 364.398 2.531 20 5 FFBDRO CCC1([NH+]2CCOCC2)CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000599183138 521075476 /nfs/dbraw/zinc/07/54/76/521075476.db2.gz IASKPBWEAYTONQ-UHFFFAOYSA-N 1 0 354.838 2.724 20 5 FFBDRO C[NH+]1CCC(CCNC(=O)c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000599243616 521105382 /nfs/dbraw/zinc/10/53/82/521105382.db2.gz HCXRGZMGLCOOSL-UHFFFAOYSA-N 1 0 370.247 2.819 20 5 FFBDRO O=[N+]([O-])c1cccnc1NC1(C[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000596509062 521106896 /nfs/dbraw/zinc/10/68/96/521106896.db2.gz MZSANBSYFGONBN-UHFFFAOYSA-N 1 0 353.426 2.757 20 5 FFBDRO COC(=O)Cc1ccc(NCC2CC[NH+](CC3CC3)CC2)c([N+](=O)[O-])c1 ZINC000596561497 521132538 /nfs/dbraw/zinc/13/25/38/521132538.db2.gz DODZYPBDOZJCTK-UHFFFAOYSA-N 1 0 361.442 2.844 20 5 FFBDRO CN(c1ccccc1)c1ccc(C[NH2+][C@H]2C[C@@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000593670150 521142381 /nfs/dbraw/zinc/14/23/81/521142381.db2.gz NDMYIGDVMBYLGB-GASCZTMLSA-N 1 0 354.410 2.716 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@@]2(CO)CCc3ccccc32)n1 ZINC000593716561 521171675 /nfs/dbraw/zinc/17/16/75/521171675.db2.gz SCBGTAGILJHEQT-NLWGTHIKSA-N 1 0 370.453 2.741 20 5 FFBDRO O=C(N[C@H]1C[C@@H]([NH+]2CCCC2)C1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000602168116 521182695 /nfs/dbraw/zinc/18/26/95/521182695.db2.gz SNWOEWQWFCOONR-TXEJJXNPSA-N 1 0 355.341 2.553 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000593757218 521197158 /nfs/dbraw/zinc/19/71/58/521197158.db2.gz AJOZSAIDJCUSDX-ZQIUZPCESA-N 1 0 362.430 2.653 20 5 FFBDRO C[NH+](C)CCCOc1ccc(NC(=O)c2c(N)cccc2[N+](=O)[O-])cc1 ZINC000611528206 521205450 /nfs/dbraw/zinc/20/54/50/521205450.db2.gz QZLBPHMVKGAAPG-UHFFFAOYSA-N 1 0 358.398 2.760 20 5 FFBDRO COc1cc(N2C[C@H](SC)[C@@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])cc1F ZINC000614977760 521218573 /nfs/dbraw/zinc/21/85/73/521218573.db2.gz IQMSWEUZMQEYFI-HOCLYGCPSA-N 1 0 355.435 2.759 20 5 FFBDRO COc1ccc([C@H]2CCC[N@@H+]2CCn2c(C)ncc2[N+](=O)[O-])c(OC)c1 ZINC000611561543 521221732 /nfs/dbraw/zinc/22/17/32/521221732.db2.gz DQAULHGSPNPNJU-MRXNPFEDSA-N 1 0 360.414 2.954 20 5 FFBDRO O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1CCC[NH2+]CC1 ZINC000593902810 521283134 /nfs/dbraw/zinc/28/31/34/521283134.db2.gz XAYXZIGOGZNUMM-LLVKDONJSA-N 1 0 374.363 2.531 20 5 FFBDRO Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)N[C@](C)(C[NH3+])CC(C)C)c1 ZINC000593903249 521283613 /nfs/dbraw/zinc/28/36/13/521283613.db2.gz UYQWERNVJBSPQA-IBGZPJMESA-N 1 0 373.457 2.641 20 5 FFBDRO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)c1csc(-c3ccc([N+](=O)[O-])cc3)n1)C2 ZINC000593913860 521289205 /nfs/dbraw/zinc/28/92/05/521289205.db2.gz XOABUNVTAVWXHQ-UGSOOPFHSA-N 1 0 372.450 2.919 20 5 FFBDRO CC1(C)CN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC[N@@H+]1CCO ZINC000615140411 521290182 /nfs/dbraw/zinc/29/01/82/521290182.db2.gz AHHPZJFTGGXMIH-UHFFFAOYSA-N 1 0 359.426 2.743 20 5 FFBDRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000593918794 521290162 /nfs/dbraw/zinc/29/01/62/521290162.db2.gz JHZNDLGYXBLFBA-XNRPHZJLSA-N 1 0 367.833 2.749 20 5 FFBDRO C[C@H]1C[C@@H](NC(=O)c2c(Br)cccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000599576166 521308074 /nfs/dbraw/zinc/30/80/74/521308074.db2.gz KFDHMAMJDJGIBN-UWVGGRQHSA-N 1 0 356.220 2.570 20 5 FFBDRO C[C@@H]1CC[C@H](NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C[NH2+]1 ZINC000599604364 521326001 /nfs/dbraw/zinc/32/60/01/521326001.db2.gz NGQGSFQLYRTZTL-SCZZXKLOSA-N 1 0 357.208 2.619 20 5 FFBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000599613539 521332139 /nfs/dbraw/zinc/33/21/39/521332139.db2.gz MEWJBUOGZVKLLW-UHFFFAOYSA-N 1 0 370.409 2.783 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000596868495 521343459 /nfs/dbraw/zinc/34/34/59/521343459.db2.gz ZGZRLRSNCHSTTA-OAHLLOKOSA-N 1 0 364.446 2.786 20 5 FFBDRO O=C(Cc1cccc2c1CC[NH2+]C2)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000602451699 521354078 /nfs/dbraw/zinc/35/40/78/521354078.db2.gz CZBIAAGQOUEURE-UHFFFAOYSA-N 1 0 367.449 2.922 20 5 FFBDRO CC[C@@H]([NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)[C@@H]1CCCCO1 ZINC000594042685 521369183 /nfs/dbraw/zinc/36/91/83/521369183.db2.gz NFZVLZIVYZRZOH-ZBFHGGJFSA-N 1 0 363.414 2.830 20 5 FFBDRO C[C@@H]1C[C@@H](NC(=O)c2c(Br)cccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000599659914 521372030 /nfs/dbraw/zinc/37/20/30/521372030.db2.gz LSMQKTVMFWJUDU-NXEZZACHSA-N 1 0 368.231 2.712 20 5 FFBDRO CC[C@H]1CN(C(=O)c2c(Br)cccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000602492598 521377491 /nfs/dbraw/zinc/37/74/91/521377491.db2.gz NCWUVHZNVOAFMP-ONGXEEELSA-N 1 0 356.220 2.557 20 5 FFBDRO C[C@H]1C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC2(CCCCC2)O1 ZINC000594058294 521378009 /nfs/dbraw/zinc/37/80/09/521378009.db2.gz RLHPVRQWPFRBJT-DOTOQJQBSA-N 1 0 364.442 2.758 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCc3ccc4c(c3)OCO4)CC2)cn1 ZINC000602503481 521385195 /nfs/dbraw/zinc/38/51/95/521385195.db2.gz OZJQCWIGFQQMKM-UHFFFAOYSA-N 1 0 370.409 2.520 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCCOCC(F)(F)F)CC2)cn1 ZINC000602507907 521386693 /nfs/dbraw/zinc/38/66/93/521386693.db2.gz IWSVCEJZFBQQSR-UHFFFAOYSA-N 1 0 362.352 2.517 20 5 FFBDRO CN(CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccccc1 ZINC000602512418 521388975 /nfs/dbraw/zinc/38/89/75/521388975.db2.gz YHUIMZBAULIZFH-UHFFFAOYSA-N 1 0 355.442 2.685 20 5 FFBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCCS(=O)(=O)Cc2ccccc2)cc1 ZINC000602516998 521389904 /nfs/dbraw/zinc/38/99/04/521389904.db2.gz UYQWSEXUUTYNEI-UHFFFAOYSA-N 1 0 362.451 2.732 20 5 FFBDRO COC[C@H](C)[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1CCc2ccccc21 ZINC000599682862 521398167 /nfs/dbraw/zinc/39/81/67/521398167.db2.gz MHUKSMGVPWCPIY-KXBFYZLASA-N 1 0 371.437 2.781 20 5 FFBDRO [NH3+]C[C@@H]1CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[C@H]1C(F)(F)F ZINC000602540617 521402378 /nfs/dbraw/zinc/40/23/78/521402378.db2.gz LNKAHLYVVVLFBY-RKDXNWHRSA-N 1 0 365.739 2.848 20 5 FFBDRO C[C@H](c1ccccc1)[C@@H](CO)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602547489 521405590 /nfs/dbraw/zinc/40/55/90/521405590.db2.gz PSTFYPZKPDXVFC-DNVCBOLYSA-N 1 0 370.453 2.713 20 5 FFBDRO CSC[C@@](C)(O)C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602551179 521408627 /nfs/dbraw/zinc/40/86/27/521408627.db2.gz NEUZMKUJTYYMCM-JTQLQIEISA-N 1 0 355.279 2.622 20 5 FFBDRO COc1ccc([C@H]([NH2+]CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C2CC2)cn1 ZINC000599699886 521410923 /nfs/dbraw/zinc/41/09/23/521410923.db2.gz NNUGWGMQXQXKOW-LJQANCHMSA-N 1 0 370.409 2.986 20 5 FFBDRO COC[C@H](Cc1ccccc1)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602565578 521414082 /nfs/dbraw/zinc/41/40/82/521414082.db2.gz SRZHYJOCUMCOLT-SFHVURJKSA-N 1 0 370.453 2.806 20 5 FFBDRO CCO[C@@H]1COCC[C@@H]1[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602612619 521438333 /nfs/dbraw/zinc/43/83/33/521438333.db2.gz HZBXQZNYOGHOAA-WDEREUQCSA-N 1 0 365.249 2.702 20 5 FFBDRO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594198647 521465518 /nfs/dbraw/zinc/46/55/18/521465518.db2.gz UGOKFLHPTHOFOL-HOTGVXAUSA-N 1 0 353.369 2.549 20 5 FFBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594204009 521470182 /nfs/dbraw/zinc/47/01/82/521470182.db2.gz WJHNFRMIFVCGLA-WMZOPIPTSA-N 1 0 356.426 2.683 20 5 FFBDRO CCC(C)(C)[NH+]1CCN(C(=O)NCc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000594210662 521475613 /nfs/dbraw/zinc/47/56/13/521475613.db2.gz CBISILPMLPADDZ-UHFFFAOYSA-N 1 0 364.446 2.619 20 5 FFBDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602681501 521477110 /nfs/dbraw/zinc/47/71/10/521477110.db2.gz VREMQZHNKRGBCG-SCZZXKLOSA-N 1 0 363.233 2.850 20 5 FFBDRO CN(CC[NH+]1CCCCC1)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597091154 521496622 /nfs/dbraw/zinc/49/66/22/521496622.db2.gz WGARORVEXQEHHB-UHFFFAOYSA-N 1 0 355.826 2.780 20 5 FFBDRO CC(C)[NH2+][C@@H]1CCCN(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)C1 ZINC000597091662 521497373 /nfs/dbraw/zinc/49/73/73/521497373.db2.gz BPRKSBDXQPPXDE-LLVKDONJSA-N 1 0 355.826 2.825 20 5 FFBDRO Nc1c(NC(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc(Cl)cc1[N+](=O)[O-] ZINC000597095660 521500801 /nfs/dbraw/zinc/50/08/01/521500801.db2.gz ZMGKERNUXWGRMH-QWRGUYRKSA-N 1 0 353.810 2.579 20 5 FFBDRO Nc1c(NC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc(Cl)cc1[N+](=O)[O-] ZINC000597095661 521501178 /nfs/dbraw/zinc/50/11/78/521501178.db2.gz ZMGKERNUXWGRMH-WDEREUQCSA-N 1 0 353.810 2.579 20 5 FFBDRO C[C@](CO)([NH2+]C[C@H]1CCN(c2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000602732077 521501665 /nfs/dbraw/zinc/50/16/65/521501665.db2.gz NJFJXHFQMQBGHY-OXQOHEQNSA-N 1 0 355.438 2.918 20 5 FFBDRO C[C@@](CO)([NH2+]C[C@@H]1CCN(c2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000602732072 521502729 /nfs/dbraw/zinc/50/27/29/521502729.db2.gz NJFJXHFQMQBGHY-JXFKEZNVSA-N 1 0 355.438 2.918 20 5 FFBDRO CCC1([NH+](C)C)CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000602758081 521517898 /nfs/dbraw/zinc/51/78/98/521517898.db2.gz JGCJPKKZEGHMHY-UHFFFAOYSA-N 1 0 350.419 2.942 20 5 FFBDRO COc1ccccc1C[N@H+](CCn1c(C)ncc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000602763455 521520153 /nfs/dbraw/zinc/52/01/53/521520153.db2.gz ONLQCZTYMZEGIZ-KRWDZBQOSA-N 1 0 374.441 2.790 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000602783317 521529823 /nfs/dbraw/zinc/52/98/23/521529823.db2.gz OJYWCKPVCVCCKK-YYUOZPCZSA-N 1 0 350.444 2.530 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000602797719 521537639 /nfs/dbraw/zinc/53/76/39/521537639.db2.gz LDBCPJZNZDZKCI-UHFFFAOYSA-N 1 0 370.409 2.660 20 5 FFBDRO Cn1cc(CN[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c([N+](=O)[O-])n1 ZINC000602825407 521554960 /nfs/dbraw/zinc/55/49/60/521554960.db2.gz SLOQMIALZQBOAL-QGZVFWFLSA-N 1 0 357.458 2.719 20 5 FFBDRO O=C(N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1ccc([N+](=O)[O-])[nH]1 ZINC000612285761 521561281 /nfs/dbraw/zinc/56/12/81/521561281.db2.gz DKJIIUWXJVTFSL-GVDBMIGSSA-N 1 0 368.437 2.953 20 5 FFBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCCN(c2cc[nH+]cc2)CC1 ZINC000602844313 521566125 /nfs/dbraw/zinc/56/61/25/521566125.db2.gz AECPETVFUXHDHK-HNNXBMFYSA-N 1 0 369.425 2.529 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ccc(CN3CCC([N@@H+]4CC[C@@H](O)C4)CC3)o2)cc1 ZINC000597234451 521588733 /nfs/dbraw/zinc/58/87/33/521588733.db2.gz AERYGFQZENEDDZ-GOSISDBHSA-N 1 0 371.437 2.886 20 5 FFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCc2cn3c(n2)CCCC3)n1 ZINC000616008181 521600713 /nfs/dbraw/zinc/60/07/13/521600713.db2.gz WNOZOCCQKYAXEO-HOTGVXAUSA-N 1 0 358.446 2.640 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCc2cn3c(n2)CCCC3)n1 ZINC000616008183 521601067 /nfs/dbraw/zinc/60/10/67/521601067.db2.gz WNOZOCCQKYAXEO-JKSUJKDBSA-N 1 0 358.446 2.640 20 5 FFBDRO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)[C@@H](CC(N)=O)c1ccccc1 ZINC000619515866 521604709 /nfs/dbraw/zinc/60/47/09/521604709.db2.gz XEOREABVEBVZFC-SFHVURJKSA-N 1 0 357.410 2.912 20 5 FFBDRO COCC[N@@H+]1CCC[C@@H](Nc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)C1 ZINC000619527047 521753208 /nfs/dbraw/zinc/75/32/08/521753208.db2.gz FUPHZHHPJJXARY-MRXNPFEDSA-N 1 0 374.416 2.741 20 5 FFBDRO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000619872043 521913441 /nfs/dbraw/zinc/91/34/41/521913441.db2.gz UYCOUTFLGNWHGE-AWEZNQCLSA-N 1 0 367.833 2.575 20 5 FFBDRO CN(C(=O)CN1CC[NH+](CC2CCCCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000064129441 535989956 /nfs/dbraw/zinc/98/99/56/535989956.db2.gz DIMCDJBVWIOVRH-UHFFFAOYSA-N 1 0 374.485 2.756 20 5 FFBDRO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])c(-c2nn[nH]n2)c1)c1cccs1 ZINC000825850788 607448934 /nfs/dbraw/zinc/44/89/34/607448934.db2.gz RXLOSRLYLKFXMK-CYBMUJFWSA-N 1 0 359.415 2.551 20 5 FFBDRO CC(C)C[N@@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000820092468 607467434 /nfs/dbraw/zinc/46/74/34/607467434.db2.gz MILPFZYPUVMGCH-CYBMUJFWSA-N 1 0 359.434 2.555 20 5 FFBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCCc2cc(-c3nn[nH]n3)ccc21 ZINC000826500040 608518917 /nfs/dbraw/zinc/51/89/17/608518917.db2.gz JCHAVDUZLIQSQR-INIZCTEOSA-N 1 0 350.382 2.942 20 5 FFBDRO COc1cc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)ncc1[N+](=O)[O-] ZINC001164857952 720951923 /nfs/dbraw/zinc/95/19/23/720951923.db2.gz ILMOAZKBUHHEAR-ZDUSSCGKSA-N 1 0 374.445 2.616 20 5 FFBDRO COc1cnc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)c([N+](=O)[O-])c1 ZINC001164862605 720956859 /nfs/dbraw/zinc/95/68/59/720956859.db2.gz WQYINMMQNQDMNK-CYBMUJFWSA-N 1 0 374.445 2.616 20 5 FFBDRO O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001164773597 721283864 /nfs/dbraw/zinc/28/38/64/721283864.db2.gz SASXYTUDHHCOAQ-UHFFFAOYSA-N 1 0 358.229 2.614 20 5 FFBDRO O=C(NC1CC[NH+](C2CCOCC2)CC1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000898632386 735390987 /nfs/dbraw/zinc/39/09/87/735390987.db2.gz IVJNLOMRJWUMQL-UHFFFAOYSA-N 1 0 367.833 2.621 20 5 FFBDRO COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000746662693 735502580 /nfs/dbraw/zinc/50/25/80/735502580.db2.gz GCTGOXKVZJOOGE-QWHCGFSZSA-N 1 0 369.849 2.611 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)CCCNC(=O)OC(C)(C)C ZINC000125218478 728680613 /nfs/dbraw/zinc/68/06/13/728680613.db2.gz LWTACOJUXBTEIP-UHFFFAOYSA-N 1 0 353.419 2.950 20 5 FFBDRO CC(C)[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C1CCOCC1 ZINC000129091800 728710327 /nfs/dbraw/zinc/71/03/27/728710327.db2.gz JWGFELKEVIDNGP-UHFFFAOYSA-N 1 0 353.394 2.952 20 5 FFBDRO COc1cc(C[NH2+][C@H](C)C[C@H](O)c2ccco2)c([N+](=O)[O-])cc1OC ZINC000130551882 728719379 /nfs/dbraw/zinc/71/93/79/728719379.db2.gz VRMMITFOOFJLAL-RISCZKNCSA-N 1 0 350.371 2.807 20 5 FFBDRO C[C@@H]1[C@@H]([NH3+])CCN1c1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000261719669 729652532 /nfs/dbraw/zinc/65/25/32/729652532.db2.gz PYWPPGZIZZHRDP-KCJUWKMLSA-N 1 0 351.204 2.831 20 5 FFBDRO Cc1ccc(S(=O)(=O)NC2CC[NH+](C(C)(C)C)CC2)c(C)c1[N+](=O)[O-] ZINC000856732655 730351623 /nfs/dbraw/zinc/35/16/23/730351623.db2.gz XUESKKVJVNDKGE-UHFFFAOYSA-N 1 0 369.487 2.753 20 5 FFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@](C)(O)c1ccsc1 ZINC000766133049 737199247 /nfs/dbraw/zinc/19/92/47/737199247.db2.gz DGIPMYJTEBSQQZ-SJKOYZFVSA-N 1 0 363.439 2.871 20 5 FFBDRO CO[C@H]1C[N@H+](C)[C@](C)(COC(=O)c2cccc(SC)c2[N+](=O)[O-])C1 ZINC000861349814 730603033 /nfs/dbraw/zinc/60/30/33/730603033.db2.gz VUJIKWNTCMTFHF-BZNIZROVSA-N 1 0 354.428 2.583 20 5 FFBDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000861374631 730606144 /nfs/dbraw/zinc/60/61/44/730606144.db2.gz VBVICJIYEDHHAE-GFCCVEGCSA-N 1 0 367.833 2.574 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000925139034 738481277 /nfs/dbraw/zinc/48/12/77/738481277.db2.gz JDIPKXYXUQBFHD-DZGCQCFKSA-N 1 0 350.444 2.605 20 5 FFBDRO C[C@@H]1[C@H](NCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCS1(=O)=O ZINC000862511781 730705895 /nfs/dbraw/zinc/70/58/95/730705895.db2.gz AXRVBHKLJHRVPI-RDDDGLTNSA-N 1 0 353.227 2.567 20 5 FFBDRO C[N@@H+]1CCCC[C@H](CNC(=O)c2cccc([N+](=O)[O-])c2Br)C1 ZINC000863937743 730816761 /nfs/dbraw/zinc/81/67/61/730816761.db2.gz HEICLJCNJRFXQY-LLVKDONJSA-N 1 0 370.247 2.819 20 5 FFBDRO C[NH+](C)[C@@H](CNC(=O)Cc1cccc(F)c1[N+](=O)[O-])c1ccsc1 ZINC000864806843 730881695 /nfs/dbraw/zinc/88/16/95/730881695.db2.gz LXQSQDXHLDBAQE-AWEZNQCLSA-N 1 0 351.403 2.757 20 5 FFBDRO CC[N@H+](CCNC(=O)Cc1cccc(F)c1[N+](=O)[O-])CCC(F)(F)F ZINC000867787673 731226090 /nfs/dbraw/zinc/22/60/90/731226090.db2.gz PODGXJXWUUSBLM-UHFFFAOYSA-N 1 0 365.327 2.667 20 5 FFBDRO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000868158336 731265347 /nfs/dbraw/zinc/26/53/47/731265347.db2.gz NWOTYHMXBWRDGK-STQMWFEESA-N 1 0 369.219 2.716 20 5 FFBDRO C[NH+](C)CCN(Cc1ccsc1)C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000868850739 731338047 /nfs/dbraw/zinc/33/80/47/731338047.db2.gz KDJBWVCIQUHJEK-UHFFFAOYSA-N 1 0 365.430 2.928 20 5 FFBDRO CC(C)[NH+]1CCC(CCNC(=O)Cc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000870953163 731580543 /nfs/dbraw/zinc/58/05/43/731580543.db2.gz NDVVZBIKMBDVCL-UHFFFAOYSA-N 1 0 351.422 2.903 20 5 FFBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC000872071871 731726951 /nfs/dbraw/zinc/72/69/51/731726951.db2.gz YZYPXAFFRXTVCF-NWDGAFQWSA-N 1 0 358.485 2.792 20 5 FFBDRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000874828666 732104441 /nfs/dbraw/zinc/10/44/41/732104441.db2.gz YDWCAOHAGXAPES-KBPBESRZSA-N 1 0 357.332 2.922 20 5 FFBDRO C[C@@H](Cc1cnccn1)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000876977184 732306058 /nfs/dbraw/zinc/30/60/58/732306058.db2.gz WKCJWCJNCFMFJJ-QMMMGPOBSA-N 1 0 357.233 2.930 20 5 FFBDRO [NH3+]CC12CCC(CC1)N2C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000877189859 732332659 /nfs/dbraw/zinc/33/26/59/732332659.db2.gz UFPPOKJPDZGBHA-UHFFFAOYSA-N 1 0 372.194 2.592 20 5 FFBDRO O=C(N[C@]12CCC[C@H]1[NH2+]CC2)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000877390992 732356462 /nfs/dbraw/zinc/35/64/62/732356462.db2.gz HNNLMPLLXRFXQN-PBHICJAKSA-N 1 0 358.423 2.733 20 5 FFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CCc3cccc(C(F)(F)F)n3)C2)c1 ZINC000877550212 732385799 /nfs/dbraw/zinc/38/57/99/732385799.db2.gz VDNNXUPQYZRPCG-UHFFFAOYSA-N 1 0 355.320 2.741 20 5 FFBDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000878341256 732516756 /nfs/dbraw/zinc/51/67/56/732516756.db2.gz ZTTRZKVXQWPQBK-WDEREUQCSA-N 1 0 365.821 2.823 20 5 FFBDRO C[C@](CO)([NH2+]C[C@H](O)c1ccc(Cl)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000879272208 732676324 /nfs/dbraw/zinc/67/63/24/732676324.db2.gz MIMPZEQAGBABPZ-DLBZAZTESA-N 1 0 368.792 2.918 20 5 FFBDRO C[C@](CO)([NH2+]C[C@H](O)c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000879270713 732676473 /nfs/dbraw/zinc/67/64/73/732676473.db2.gz AGKKDPZQTSSDGE-DLBZAZTESA-N 1 0 350.802 2.779 20 5 FFBDRO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000881472249 733059329 /nfs/dbraw/zinc/05/93/29/733059329.db2.gz NNOALWUSWXHZKM-HNNXBMFYSA-N 1 0 367.833 2.621 20 5 FFBDRO CCOc1cc(NC(=O)N2CC[C@H]([NH+](CC)CC)C2)ccc1[N+](=O)[O-] ZINC000888834705 734103829 /nfs/dbraw/zinc/10/38/29/734103829.db2.gz OIFOHGNGJGLANW-AWEZNQCLSA-N 1 0 350.419 2.942 20 5 FFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCCc3c2cnn3CCO)cc1Cl ZINC000783600231 738818516 /nfs/dbraw/zinc/81/85/16/738818516.db2.gz LIQLCZUEWARSSF-AWEZNQCLSA-N 1 0 350.806 2.604 20 5 FFBDRO C[C@@H](NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000928244931 738844281 /nfs/dbraw/zinc/84/42/81/738844281.db2.gz GTLUGNIOYIWIQO-DYVFJYSZSA-N 1 0 363.483 2.990 20 5 FFBDRO COC1CC[NH+](C(C)(C)CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000732578423 734750205 /nfs/dbraw/zinc/75/02/05/734750205.db2.gz MJJKWZZDNUBFLV-UHFFFAOYSA-N 1 0 369.849 2.867 20 5 FFBDRO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000733157928 734794474 /nfs/dbraw/zinc/79/44/74/734794474.db2.gz BAFAIKVWABNSOI-AWEZNQCLSA-N 1 0 367.833 2.621 20 5 FFBDRO COc1c(O)ccc(C[NH+]2CCC3(CCC(O)CC3)CC2)c1[N+](=O)[O-] ZINC000894667088 734898405 /nfs/dbraw/zinc/89/84/05/734898405.db2.gz FVSVCVVWICMVIP-UHFFFAOYSA-N 1 0 350.415 2.826 20 5 FFBDRO C[NH+](C)CC1(O)CCN(c2c3cccc(Cl)c3ncc2[N+](=O)[O-])CC1 ZINC000894955726 734943182 /nfs/dbraw/zinc/94/31/82/734943182.db2.gz RBHQHTQZFHXYPV-UHFFFAOYSA-N 1 0 364.833 2.689 20 5 FFBDRO C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000895279592 734986094 /nfs/dbraw/zinc/98/60/94/734986094.db2.gz IZBDMDYLQFVSNF-LBPRGKRZSA-N 1 0 360.801 2.994 20 5 FFBDRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000895279591 734986230 /nfs/dbraw/zinc/98/62/30/734986230.db2.gz IZBDMDYLQFVSNF-GFCCVEGCSA-N 1 0 360.801 2.994 20 5 FFBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Br)[NH+]1CCCCC1 ZINC000739701205 735057069 /nfs/dbraw/zinc/05/70/69/735057069.db2.gz PZVYLQSGZFZLJA-NSHDSACASA-N 1 0 370.247 2.962 20 5 FFBDRO O=C(NCC[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000740006956 735064855 /nfs/dbraw/zinc/06/48/55/735064855.db2.gz PMIILILEWRGQIY-UHFFFAOYSA-N 1 0 351.765 2.907 20 5 FFBDRO CC[C@H](C(=O)OCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[NH+](CC)CC ZINC000741032833 735111830 /nfs/dbraw/zinc/11/18/30/735111830.db2.gz NWDIIHSKNHKIFK-CYBMUJFWSA-N 1 0 371.821 2.850 20 5 FFBDRO O=[N+]([O-])c1ccc(NC[C@H]2CC[N@@H+]2C2CCOCC2)c(OC(F)F)c1 ZINC000896522029 735172357 /nfs/dbraw/zinc/17/23/57/735172357.db2.gz MYESOGNDOLVHAK-CYBMUJFWSA-N 1 0 357.357 2.861 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c(C(F)(F)F)c1 ZINC000742255153 735215275 /nfs/dbraw/zinc/21/52/75/735215275.db2.gz QAOCOTJQBPXWKR-LSDHHAIUSA-N 1 0 359.348 2.649 20 5 FFBDRO C[C@H](C[NH2+]C1CCC(CS(C)(=O)=O)CC1)c1ccccc1[N+](=O)[O-] ZINC000897464385 735238021 /nfs/dbraw/zinc/23/80/21/735238021.db2.gz MCFPJZLKUKZJOO-WLYUNCDWSA-N 1 0 354.472 2.891 20 5 FFBDRO CCC[C@@H]([NH3+])c1cn(Cc2cc([N+](=O)[O-])ccc2Br)nn1 ZINC000900595647 735666355 /nfs/dbraw/zinc/66/63/55/735666355.db2.gz JKVVXLLYBHHBHQ-GFCCVEGCSA-N 1 0 354.208 2.797 20 5 FFBDRO C[NH+](C)[C@]1(CNC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)CCSC1 ZINC000900947391 735725004 /nfs/dbraw/zinc/72/50/04/735725004.db2.gz ZWJLCUMSWAPGQR-AWEZNQCLSA-N 1 0 361.826 2.554 20 5 FFBDRO Cc1c(Br)cc(C(=O)N[C@H](C[NH+](C)C)C(C)C)cc1[N+](=O)[O-] ZINC000753038295 736033257 /nfs/dbraw/zinc/03/32/57/736033257.db2.gz UGUGOFVUVWMXKB-CYBMUJFWSA-N 1 0 372.263 2.982 20 5 FFBDRO COc1cc([C@@H](C)[NH2+]CC(C)(C)C2(O)CCOCC2)cc([N+](=O)[O-])c1 ZINC000903189911 736052614 /nfs/dbraw/zinc/05/26/14/736052614.db2.gz KOYFQLXPRWXQSB-CYBMUJFWSA-N 1 0 352.431 2.822 20 5 FFBDRO COc1cc([C@@H](C)[NH2+]CC(C)(C)[C@]2(O)CCCOC2)cc([N+](=O)[O-])c1 ZINC000903203677 736054592 /nfs/dbraw/zinc/05/45/92/736054592.db2.gz MZGFYCDGGNPCHE-ACJLOTCBSA-N 1 0 352.431 2.822 20 5 FFBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@@H](O)C[C@H](O)c2ccccc2)c1 ZINC000905160629 736303721 /nfs/dbraw/zinc/30/37/21/736303721.db2.gz PLBLTRFQYTUHFL-RDJZCZTQSA-N 1 0 350.802 2.822 20 5 FFBDRO CSC1CCC(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000905508697 736348598 /nfs/dbraw/zinc/34/85/98/736348598.db2.gz KENYWIAXLKQINP-GULBITTBSA-N 1 0 354.472 2.846 20 5 FFBDRO CC(C)[NH2+][C@@H]1CCCN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000757257221 736399397 /nfs/dbraw/zinc/39/93/97/736399397.db2.gz YUBHQGGHPXULGE-CYBMUJFWSA-N 1 0 354.838 2.920 20 5 FFBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000757729258 736423000 /nfs/dbraw/zinc/42/30/00/736423000.db2.gz LGXORFYFHCAQOI-ZUZCIYMTSA-N 1 0 352.822 2.530 20 5 FFBDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000757771764 736426005 /nfs/dbraw/zinc/42/60/05/736426005.db2.gz SCEFICXGFHYOQZ-VHSXEESVSA-N 1 0 371.235 2.914 20 5 FFBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000758846919 736525956 /nfs/dbraw/zinc/52/59/56/736525956.db2.gz QYTNBSOAJCBMGO-CYBMUJFWSA-N 1 0 354.838 2.922 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000906791356 736543918 /nfs/dbraw/zinc/54/39/18/736543918.db2.gz LCGAMOLJBKMBBK-MFKMUULPSA-N 1 0 354.838 2.633 20 5 FFBDRO CC(C)(C)OC(=O)NC(C)(C)C[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000759157742 736551526 /nfs/dbraw/zinc/55/15/26/736551526.db2.gz OQBXEYUMELDLOV-UHFFFAOYSA-N 1 0 353.419 2.867 20 5 FFBDRO C[NH+]1CCC(CNC(=S)NCCCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000760494753 736644591 /nfs/dbraw/zinc/64/45/91/736644591.db2.gz XWLSXFAMICAQSO-UHFFFAOYSA-N 1 0 364.515 2.723 20 5 FFBDRO CCC[C@@H]1CN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CCN1CCOC ZINC000767124203 737294687 /nfs/dbraw/zinc/29/46/87/737294687.db2.gz XROIDMXJSJUGTM-CYBMUJFWSA-N 1 0 369.849 2.821 20 5 FFBDRO C[C@@]1(NC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)C[NH+]2CCC1CC2 ZINC000912375165 737297624 /nfs/dbraw/zinc/29/76/24/737297624.db2.gz TTXXHQCZGNWZLF-QGZVFWFLSA-N 1 0 351.834 2.781 20 5 FFBDRO O=C(c1c(Br)cccc1[N+](=O)[O-])N1CCC([NH+]2CCC2)CC1 ZINC000912868382 737351388 /nfs/dbraw/zinc/35/13/88/737351388.db2.gz BDFMVTFRCWRSGD-UHFFFAOYSA-N 1 0 368.231 2.668 20 5 FFBDRO C[NH+](C)Cc1ccc(C(=O)NCc2cc(F)c(Cl)c([N+](=O)[O-])c2)cn1 ZINC000913384898 737396457 /nfs/dbraw/zinc/39/64/57/737396457.db2.gz ILTORZYZOJXGJH-UHFFFAOYSA-N 1 0 366.780 2.774 20 5 FFBDRO C[NH+](C)C1(C)CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000913394527 737398452 /nfs/dbraw/zinc/39/84/52/737398452.db2.gz GUSVXLORCNJZFI-UHFFFAOYSA-N 1 0 370.247 2.914 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000770103069 737596773 /nfs/dbraw/zinc/59/67/73/737596773.db2.gz NIMJNCWYFVNSSY-CQSZACIVSA-N 1 0 352.866 2.773 20 5 FFBDRO CS[C@H]1CN(c2cc(Br)ccc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000774536142 737998656 /nfs/dbraw/zinc/99/86/56/737998656.db2.gz IPRCITZOPYEYHJ-STQMWFEESA-N 1 0 360.277 2.839 20 5 FFBDRO O=C(C[NH2+][C@@H](CCO)c1ccccc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000774858954 738032987 /nfs/dbraw/zinc/03/29/87/738032987.db2.gz XYJCVTJPAMEHSR-HNNXBMFYSA-N 1 0 363.801 2.900 20 5 FFBDRO COc1ccc(-c2ccc(C[NH2+][C@@H](C)C(OC)OC)o2)c([N+](=O)[O-])c1 ZINC000922312053 738120428 /nfs/dbraw/zinc/12/04/28/738120428.db2.gz QOKAJRHDXLNPKR-NSHDSACASA-N 1 0 350.371 2.960 20 5 FFBDRO CS(=O)(=O)c1ccccc1CC[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000922680958 738184046 /nfs/dbraw/zinc/18/40/46/738184046.db2.gz VRROUAVWTZSLKA-UHFFFAOYSA-N 1 0 368.842 2.984 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)C[C@H]1C ZINC000778009117 738342000 /nfs/dbraw/zinc/34/20/00/738342000.db2.gz KTLWDFOOYKDJJA-CHWSQXEVSA-N 1 0 373.450 2.536 20 5 FFBDRO O=C(NC1CC[NH+](CC2CC2)CC1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778242855 738366617 /nfs/dbraw/zinc/36/66/17/738366617.db2.gz YJWGIWJYXVQWAP-UHFFFAOYSA-N 1 0 353.369 2.677 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C[C@@H]1C ZINC000778287211 738369657 /nfs/dbraw/zinc/36/96/57/738369657.db2.gz IGQJZEXAKMGWCH-CMPLNLGQSA-N 1 0 363.443 2.544 20 5 FFBDRO COc1cc(CN2CC[C@@H]([NH+](C)C)[C@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000931048071 739203730 /nfs/dbraw/zinc/20/37/30/739203730.db2.gz UYSJORSGQLKGOE-ZYHUDNBSSA-N 1 0 359.373 2.729 20 5 FFBDRO C[C@@H](CO)[N@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CCCC1 ZINC000788466197 739247698 /nfs/dbraw/zinc/24/76/98/739247698.db2.gz GRPIKIHOEXFZBD-NSHDSACASA-N 1 0 355.822 2.812 20 5 FFBDRO C[NH+](C)Cc1ccc(S(=O)(=O)Oc2ccc(F)cc2[N+](=O)[O-])cc1 ZINC000790018056 739407177 /nfs/dbraw/zinc/40/71/77/739407177.db2.gz CLCPUSZTQBSBLT-UHFFFAOYSA-N 1 0 354.359 2.563 20 5 FFBDRO Cc1sc(C(=O)OCCCN2CC[NH+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000791685963 739592858 /nfs/dbraw/zinc/59/28/58/739592858.db2.gz BGYXHASSZPGLCZ-UHFFFAOYSA-N 1 0 355.460 2.538 20 5 FFBDRO C[C@@](CO)(Cc1ccc(Cl)cc1)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000933443061 739627088 /nfs/dbraw/zinc/62/70/88/739627088.db2.gz POIXTDSZOBITJX-ROUUACIJSA-N 1 0 364.829 2.865 20 5 FFBDRO Cn1cc([C@H]2CSCCC[N@@H+]2CCOc2cccc([N+](=O)[O-])c2)cn1 ZINC000933979817 739714570 /nfs/dbraw/zinc/71/45/70/739714570.db2.gz AOQJCLRZWHEPEI-QGZVFWFLSA-N 1 0 362.455 2.887 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCSC[C@H]1C ZINC000934301264 739763124 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HDPNYWVLEDHRBK-MRXNPFEDSA-N 1 0 362.817 2.863 20 5 FFBDRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3cc([N+](=O)[O-])ccc3Cl)[C@@H]2C1 ZINC000808446527 741226377 /nfs/dbraw/zinc/22/63/77/741226377.db2.gz KTHJQRQGGPYVSL-XGWLTEMNSA-N 1 0 351.834 2.985 20 5 FFBDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000809916386 741360475 /nfs/dbraw/zinc/36/04/75/741360475.db2.gz IOSYEIQHKOGWNX-LBPRGKRZSA-N 1 0 370.837 2.727 20 5 FFBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000811502537 741530583 /nfs/dbraw/zinc/53/05/83/741530583.db2.gz XEJRNFMNUDHIIQ-SFHVURJKSA-N 1 0 351.422 2.808 20 5 FFBDRO CSC1(CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])CC[NH+](C)CC1 ZINC000812257060 741599816 /nfs/dbraw/zinc/59/98/16/741599816.db2.gz ZANIUQHIMKTNKG-UHFFFAOYSA-N 1 0 357.863 2.805 20 5 FFBDRO C[NH+](C)C1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2Br)CC1 ZINC000817483838 742152403 /nfs/dbraw/zinc/15/24/03/742152403.db2.gz JLZTVEDITDPOHF-UHFFFAOYSA-N 1 0 370.247 2.960 20 5 FFBDRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000818010977 742229749 /nfs/dbraw/zinc/22/97/49/742229749.db2.gz SEGBKWUTVOHOIW-GDBMZVCRSA-N 1 0 367.833 2.607 20 5 FFBDRO CC1CCC2(CC1)OC[C@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)O2 ZINC000819215363 742355331 /nfs/dbraw/zinc/35/53/31/742355331.db2.gz HJCUEVXKOGWSCG-JDCHQWLXSA-N 1 0 350.415 2.540 20 5 FFBDRO O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000820826806 742555877 /nfs/dbraw/zinc/55/58/77/742555877.db2.gz ICEVQAPOZOOBRQ-ZDUSSCGKSA-N 1 0 368.821 2.623 20 5 FFBDRO C[C@H](CNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)C[NH+](C)C ZINC000821564916 742642948 /nfs/dbraw/zinc/64/29/48/742642948.db2.gz XHODDPYZJQFUFS-SECBINFHSA-N 1 0 359.224 2.677 20 5 FFBDRO O=C(N[C@H]1CC[C@H]([NH2+]CCc2ccccc2Cl)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001034644395 742928312 /nfs/dbraw/zinc/92/83/12/742928312.db2.gz GAUQGJUBISHJMS-KCYZZUKISA-N 1 0 365.861 2.565 20 5 FFBDRO C[N@@H+]1CC[C@@H](CC(=O)N[C@H](c2cccc([N+](=O)[O-])c2F)C(F)(F)F)C1 ZINC000823593501 742942224 /nfs/dbraw/zinc/94/22/24/742942224.db2.gz AJJUJGDKKLMHSZ-LKFCYVNXSA-N 1 0 363.311 2.795 20 5 FFBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]C[C@H]1CCCCN1CCO ZINC000824583199 743111259 /nfs/dbraw/zinc/11/12/59/743111259.db2.gz JHYDRLALDSZZLS-CYBMUJFWSA-N 1 0 362.257 2.838 20 5 FFBDRO Cn1ccnc1[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CCO1 ZINC000825325588 743248490 /nfs/dbraw/zinc/24/84/90/743248490.db2.gz FWXAPLLSMXBGAV-DZGCQCFKSA-N 1 0 350.806 2.992 20 5 FFBDRO CC[NH+](CC)CCN(CCOC)C(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000826795275 743444082 /nfs/dbraw/zinc/44/40/82/743444082.db2.gz YBMFFZQTDKJJOO-UHFFFAOYSA-N 1 0 371.865 2.987 20 5 FFBDRO C[N@@H+]1CC[C@H]2CN(C(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000827286680 743548684 /nfs/dbraw/zinc/54/86/84/743548684.db2.gz HXMGZOPXZXTHMY-AAEUAGOBSA-N 1 0 369.874 2.893 20 5 FFBDRO CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)C[C@H]1[NH+](C)C ZINC000827425998 743573895 /nfs/dbraw/zinc/57/38/95/743573895.db2.gz NYDFWCMZEISIDA-ZIAGYGMSSA-N 1 0 357.863 2.674 20 5 FFBDRO CN(C)C(=O)O[C@@H]1CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000830573798 745384278 /nfs/dbraw/zinc/38/42/78/745384278.db2.gz CDDCUHHYAUZDST-MRXNPFEDSA-N 1 0 351.403 2.526 20 5 FFBDRO CO[C@@]1(C)C[C@H]([NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1(C)C ZINC000831347649 745517990 /nfs/dbraw/zinc/51/79/90/745517990.db2.gz BZIGMLACCFNNBD-YOEHRIQHSA-N 1 0 353.394 2.856 20 5 FFBDRO [NH3+][C@H]1CCc2nc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)sc2C1 ZINC000831667209 745563254 /nfs/dbraw/zinc/56/32/54/745563254.db2.gz NIKAALUXFXZIQO-QMMMGPOBSA-N 1 0 352.803 2.773 20 5 FFBDRO CC[C@@H]1C[N@H+](CC)CCN1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000831965287 745612541 /nfs/dbraw/zinc/61/25/41/745612541.db2.gz VVXJTVPGFIZFJV-CYBMUJFWSA-N 1 0 354.838 2.603 20 5 FFBDRO CC(C)OCCOC1CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000832494636 745707804 /nfs/dbraw/zinc/70/78/04/745707804.db2.gz RWQQYNCJTGGVTJ-GOSISDBHSA-N 1 0 352.431 2.534 20 5 FFBDRO CC(C)(C[NH+]1CCCC1)NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000838514727 746656038 /nfs/dbraw/zinc/65/60/38/746656038.db2.gz VKIKCYHQQFFPRW-UHFFFAOYSA-N 1 0 354.838 2.922 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1C ZINC000839502884 746842012 /nfs/dbraw/zinc/84/20/12/746842012.db2.gz IEDPIEAYSRRDAM-TZMCWYRMSA-N 1 0 368.865 2.991 20 5 FFBDRO C[C@H](CO)[N@H+](CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C1CCCC1 ZINC000839575266 746860124 /nfs/dbraw/zinc/86/01/24/746860124.db2.gz SWGNBHDGDIQLCZ-LLVKDONJSA-N 1 0 355.822 2.812 20 5 FFBDRO CCC[N@H+](C)CC(=O)N[C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC000839864101 746946454 /nfs/dbraw/zinc/94/64/54/746946454.db2.gz NLEDZLRIGWQMMX-CYBMUJFWSA-N 1 0 351.300 2.795 20 5 FFBDRO [NH3+]CCCOC1CCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000841011574 747254400 /nfs/dbraw/zinc/25/44/00/747254400.db2.gz RUNOGBJCJJYKIX-UHFFFAOYSA-N 1 0 356.810 2.610 20 5 FFBDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000841161906 747285004 /nfs/dbraw/zinc/28/50/04/747285004.db2.gz PTEXOYJTXZKKJJ-UWVGGRQHSA-N 1 0 371.235 2.948 20 5 FFBDRO [NH3+]CC1(NC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CCCC1 ZINC000841161927 747285055 /nfs/dbraw/zinc/28/50/55/747285055.db2.gz QNOQZPNELLQOJE-UHFFFAOYSA-N 1 0 357.208 2.750 20 5 FFBDRO CN(C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000841162580 747285262 /nfs/dbraw/zinc/28/52/62/747285262.db2.gz WHHNUAJAJDSHBL-UHFFFAOYSA-N 1 0 357.208 2.573 20 5 FFBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000841859074 747477838 /nfs/dbraw/zinc/47/78/38/747477838.db2.gz XNQWPORPPQAGPZ-OLZOCXBDSA-N 1 0 366.849 2.779 20 5 FFBDRO O=[N+]([O-])c1cc(CN2CCC[C@]3(CC[NH2+]C3)C2)ccc1Br ZINC000842475037 747612764 /nfs/dbraw/zinc/61/27/64/747612764.db2.gz IBYSSRPKMOLYAU-OAHLLOKOSA-N 1 0 354.248 2.933 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)ccc1OCCc1nc([C@H]2CCC[NH2+]C2)no1 ZINC000842665921 747654428 /nfs/dbraw/zinc/65/44/28/747654428.db2.gz BNNQDDMQKNRVFR-JTQLQIEISA-N 1 0 352.778 2.720 20 5 FFBDRO CC[C@H]([NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)C(=O)NCc1cccs1 ZINC000842909077 747718239 /nfs/dbraw/zinc/71/82/39/747718239.db2.gz QFYNHAHIVIBBFJ-ABAIWWIYSA-N 1 0 362.455 2.984 20 5 FFBDRO [NH3+]CCCCCCNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000843042469 747754431 /nfs/dbraw/zinc/75/44/31/747754431.db2.gz MFVJAZJEENPWHR-UHFFFAOYSA-N 1 0 359.224 2.998 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@H](O)c2cc(F)cc(Cl)c2)cc1 ZINC000843111729 747774012 /nfs/dbraw/zinc/77/40/12/747774012.db2.gz NSRMCROXXSTGGH-CVEARBPZSA-N 1 0 354.765 2.744 20 5 FFBDRO O=[N+]([O-])c1cc(Br)cc(-c2nc(CC3CC[NH2+]CC3)no2)c1 ZINC000843135479 747779388 /nfs/dbraw/zinc/77/93/88/747779388.db2.gz JRTVVBUNJHFKII-UHFFFAOYSA-N 1 0 367.203 2.949 20 5 FFBDRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000843360447 747817172 /nfs/dbraw/zinc/81/71/72/747817172.db2.gz XLJAWKZEGONESW-YOGCLGLASA-N 1 0 352.822 2.531 20 5 FFBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CCC2(C1)CC[NH2+]CC2 ZINC000843454426 747839718 /nfs/dbraw/zinc/83/97/18/747839718.db2.gz QIOFLGNEMAHDTJ-UHFFFAOYSA-N 1 0 355.797 2.532 20 5 FFBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000843481109 747842910 /nfs/dbraw/zinc/84/29/10/747842910.db2.gz ZZWSHNZGQXOTEW-LBPRGKRZSA-N 1 0 369.824 2.778 20 5 FFBDRO CS[C@H]1CN(C(=O)c2c(C)c(F)ccc2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000843854286 747912289 /nfs/dbraw/zinc/91/22/89/747912289.db2.gz KDRHLSGTGLYAJW-GJZGRUSLSA-N 1 0 367.446 2.694 20 5 FFBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC(CC[NH3+])CC1 ZINC000846225714 748434034 /nfs/dbraw/zinc/43/40/34/748434034.db2.gz QYDIWOVARCSZGA-NSHDSACASA-N 1 0 354.838 2.636 20 5 FFBDRO COc1ccc([C@H]([NH2+]C(C)C)C(=O)NCc2ccccc2[N+](=O)[O-])cc1 ZINC000895757676 970919982 /nfs/dbraw/zinc/91/99/82/970919982.db2.gz VPQHUYDGUUDBMF-SFHVURJKSA-N 1 0 357.410 2.959 20 5 FFBDRO COC(=O)C[C@@H]1C[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000896472142 971500467 /nfs/dbraw/zinc/50/04/67/971500467.db2.gz JRZXDDYRHTYNON-UKRRQHHQSA-N 1 0 372.425 2.626 20 5 FFBDRO C[N@@H+]1CC[C@H](C(=O)NCCc2ccccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000896694348 971671051 /nfs/dbraw/zinc/67/10/51/971671051.db2.gz XOIOMMHAPIOTTM-HKUYNNGSSA-N 1 0 353.422 2.947 20 5 FFBDRO COc1nc(SC)nc(NCCC[N@@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC001167751654 971706684 /nfs/dbraw/zinc/70/66/84/971706684.db2.gz NATYYNDMBGEQEU-LLVKDONJSA-N 1 0 355.464 2.792 20 5 FFBDRO C[NH2+]Cc1c(C)nn(-c2ccc(-c3ccc(F)c([N+](=O)[O-])c3)nn2)c1C ZINC001167098322 960019685 /nfs/dbraw/zinc/01/96/85/960019685.db2.gz FVUQZSANIOFJMU-UHFFFAOYSA-N 1 0 356.361 2.713 20 5 FFBDRO CN(C(=O)CN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000134896498 960100223 /nfs/dbraw/zinc/10/02/23/960100223.db2.gz WNZXZSBSQSZGGJ-DNVCBOLYSA-N 1 0 372.469 2.506 20 5 FFBDRO C[C@H]1C[C@H](NC(=O)Cc2ccccc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000134940052 960548341 /nfs/dbraw/zinc/54/83/41/960548341.db2.gz FTDYDGGAQKIUSB-YJBOKZPZSA-N 1 0 353.422 2.917 20 5 FFBDRO CC[NH+]1CCC(NC(=O)Cc2cccc([N+](=O)[O-])c2C)(C(F)(F)F)CC1 ZINC000891209638 962284273 /nfs/dbraw/zinc/28/42/73/962284273.db2.gz PHCFXCOUHHPPRG-UHFFFAOYSA-N 1 0 373.375 2.979 20 5 FFBDRO [NH3+]CC1(N(Cc2ccccc2)c2ccc3cc([N+](=O)[O-])ccc3n2)COC1 ZINC001167365207 962377242 /nfs/dbraw/zinc/37/72/42/962377242.db2.gz PERNGFSIXCBXHH-UHFFFAOYSA-N 1 0 364.405 2.877 20 5 FFBDRO Cc1c(C[NH2+]Cc2cccc(C(=O)N3CCOCC3)c2)cccc1[N+](=O)[O-] ZINC000873023250 1013353157 /nfs/dbraw/zinc/35/31/57/1013353157.db2.gz JMGYFZPBKVUKJP-UHFFFAOYSA-N 1 0 369.421 2.665 20 5 FFBDRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1OC ZINC000873191660 1013416994 /nfs/dbraw/zinc/41/69/94/1013416994.db2.gz RKMCKMFMUQCNIH-IBGZPJMESA-N 1 0 360.410 2.695 20 5 FFBDRO COC[C@@]1(C(=O)OC(C)(C)C)CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC001175240211 1013422354 /nfs/dbraw/zinc/42/23/54/1013422354.db2.gz YCGZFJMTQHRSHA-GOSISDBHSA-N 1 0 368.405 2.914 20 5 FFBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC2CC([NH+](C)C)C2)CC1 ZINC000773486063 1013427641 /nfs/dbraw/zinc/42/76/41/1013427641.db2.gz HTDDWYPUJPTXET-UHFFFAOYSA-N 1 0 360.458 2.654 20 5 FFBDRO CC(C)C[C@H]1CN(C)CC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000933252137 963758773 /nfs/dbraw/zinc/75/87/73/963758773.db2.gz QXVZARVRTAPKRO-HNNXBMFYSA-N 1 0 366.437 2.725 20 5 FFBDRO CC(C)C[C@@H]1CN(C)CC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000933252138 963759468 /nfs/dbraw/zinc/75/94/68/963759468.db2.gz QXVZARVRTAPKRO-OAHLLOKOSA-N 1 0 366.437 2.725 20 5 FFBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccsc3)cc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001022063881 964189364 /nfs/dbraw/zinc/18/93/64/964189364.db2.gz NQOMJCYTTZDBIS-XMTFNYHQSA-N 1 0 371.462 2.817 20 5 FFBDRO C[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C[C@H]1CCN1C(=O)OC(C)(C)C ZINC000933468065 964424585 /nfs/dbraw/zinc/42/45/85/964424585.db2.gz QBKRQZHXFJPANS-HZPDHXFCSA-N 1 0 365.430 2.569 20 5 FFBDRO C[C@@H]1C[C@H](C)N(C(=O)Nc2cc(N3CC[NH+](C)CC3)ccc2[N+](=O)[O-])C1 ZINC000934041988 965540763 /nfs/dbraw/zinc/54/07/63/965540763.db2.gz MUCNNJUBRZIJSY-KGLIPLIRSA-N 1 0 361.446 2.609 20 5 FFBDRO C[C@@H]1CC[C@@H](C)N1C(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000934044015 965542070 /nfs/dbraw/zinc/54/20/70/965542070.db2.gz RGRGZUORGWTASI-ZIAGYGMSSA-N 1 0 361.446 2.751 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])cc1-n1cc(CC[NH3+])c2cc(O)ccc21 ZINC001167985165 965843833 /nfs/dbraw/zinc/84/38/33/965843833.db2.gz APLIETDZYCKBNM-UHFFFAOYSA-N 1 0 355.350 2.532 20 5 FFBDRO C[NH+](C)[C@@H]1C[C@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1(C)C ZINC001299819603 965851393 /nfs/dbraw/zinc/85/13/93/965851393.db2.gz BEOJPCIEJUEWAO-QWHCGFSZSA-N 1 0 370.247 2.816 20 5 FFBDRO Cn1c2ccccc2c(N2CC[C@H]([NH+]3CCCCC3)C2)c([N+](=O)[O-])c1=O ZINC000892409914 968352404 /nfs/dbraw/zinc/35/24/04/968352404.db2.gz NSRSDPXAUOKTAJ-AWEZNQCLSA-N 1 0 356.426 2.511 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N2CCN(c3cc[nH+]cc3)C[C@H]2C)c1F ZINC000895269107 968911795 /nfs/dbraw/zinc/91/17/95/968911795.db2.gz RVIJJETUFPHDIJ-CYBMUJFWSA-N 1 0 358.373 2.788 20 5 FFBDRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000895272837 968913687 /nfs/dbraw/zinc/91/36/87/968913687.db2.gz USTDSTZUPKNRLO-LLVKDONJSA-N 1 0 362.336 2.619 20 5 FFBDRO CCOc1ccc(C(=O)N2CCN(c3cc[nH+]cc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000895280019 968950150 /nfs/dbraw/zinc/95/01/50/968950150.db2.gz YZNUUYQBJFPXQA-AWEZNQCLSA-N 1 0 370.409 2.739 20 5 FFBDRO C[C@@H]1C[C@@H](Oc2ccc([N+](=O)[O-])c(I)c2)CC[NH2+]1 ZINC001218058440 969408706 /nfs/dbraw/zinc/40/87/06/969408706.db2.gz WZIBLCYVPSHQFB-SCZZXKLOSA-N 1 0 362.167 2.719 20 5 FFBDRO COc1c(O)ccc(C[NH2+]C[C@@H](c2ccc(F)cc2)N(C)C)c1[N+](=O)[O-] ZINC000892625992 969629858 /nfs/dbraw/zinc/62/98/58/969629858.db2.gz KJZHHZZOZFGWMN-HNNXBMFYSA-N 1 0 363.389 2.841 20 5 FFBDRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](c2cnn(C)c2)C1 ZINC000875054485 1013959164 /nfs/dbraw/zinc/95/91/64/1013959164.db2.gz UNRULVSPQBWPSS-QZTJIDSGSA-N 1 0 371.441 2.781 20 5 FFBDRO Cc1c(C(=O)NCC2([NH3+])CCCCCC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000122456769 970403011 /nfs/dbraw/zinc/40/30/11/970403011.db2.gz ZQFSKSDOBOTTIX-UHFFFAOYSA-N 1 0 364.402 2.901 20 5 FFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000897067207 973217411 /nfs/dbraw/zinc/21/74/11/973217411.db2.gz HBESABIITNPIJM-OAGGEKHMSA-N 1 0 360.458 2.967 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)nc1-c1ccccc1 ZINC000897220655 973459085 /nfs/dbraw/zinc/45/90/85/973459085.db2.gz CWTIHFYUWAOSCH-SJORKVTESA-N 1 0 368.437 2.692 20 5 FFBDRO C[N@@H+]1CC[C@H](C(=O)NCCc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000897241989 973540170 /nfs/dbraw/zinc/54/01/70/973540170.db2.gz YVRXDJJURAHTJV-OALUTQOASA-N 1 0 353.422 2.947 20 5 FFBDRO CC[NH+]1CCN(c2cc(N(C)C(=O)c3ccoc3C)cc([N+](=O)[O-])c2)CC1 ZINC000876230545 1014190125 /nfs/dbraw/zinc/19/01/25/1014190125.db2.gz DZTPQKYUKFXRLP-UHFFFAOYSA-N 1 0 372.425 2.915 20 5 FFBDRO COc1ccc([C@@H](O)C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000125517024 974654069 /nfs/dbraw/zinc/65/40/69/974654069.db2.gz YEFXSKLXYSMACW-FQEVSTJZSA-N 1 0 371.437 2.895 20 5 FFBDRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000899814061 977345398 /nfs/dbraw/zinc/34/53/98/977345398.db2.gz DUQQCYSZLNNWJM-CYBMUJFWSA-N 1 0 365.393 2.822 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@@H]3COc4ccccc4C3)CC2)cn1 ZINC000876877406 1014407662 /nfs/dbraw/zinc/40/76/62/1014407662.db2.gz UXUFFCOTLAVVKY-OAHLLOKOSA-N 1 0 368.437 2.800 20 5 FFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CCc3cnn(-c4ccccc4)c3)C2)c1 ZINC000876921988 1014421820 /nfs/dbraw/zinc/42/18/20/1014421820.db2.gz OLYMOCSUPFWWGA-UHFFFAOYSA-N 1 0 352.398 2.513 20 5 FFBDRO C[C@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)c1ccc(N2CCCC2=O)cc1 ZINC000876973370 1014438121 /nfs/dbraw/zinc/43/81/21/1014438121.db2.gz YZPCAZHXMNNELI-KTAKPFMOSA-N 1 0 369.425 2.972 20 5 FFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CCOc3ccc(C(F)(F)F)cn3)C2)c1 ZINC000877084647 1014472276 /nfs/dbraw/zinc/47/22/76/1014472276.db2.gz HUDWFLJZZVXVQR-UHFFFAOYSA-N 1 0 371.319 2.577 20 5 FFBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2C3CCC2(C[NH3+])CC3)CC1 ZINC000877192446 1014504937 /nfs/dbraw/zinc/50/49/37/1014504937.db2.gz QGZXGJZVCLVPBC-UHFFFAOYSA-N 1 0 372.469 2.927 20 5 FFBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N[C@H]1CCCCC12CC[NH2+]CC2 ZINC000877402713 1014572574 /nfs/dbraw/zinc/57/25/74/1014572574.db2.gz GBKXRYNJDKQEFX-INIZCTEOSA-N 1 0 365.405 2.541 20 5 FFBDRO COc1ccc(OCCn2cc(C[N@H+](C)C(C)(C)C)nn2)c([N+](=O)[O-])c1 ZINC000905801383 980515288 /nfs/dbraw/zinc/51/52/88/980515288.db2.gz BTDJQSJFIBYSDT-UHFFFAOYSA-N 1 0 363.418 2.504 20 5 FFBDRO COc1c(C(=O)NC2CCC3(CC2)CC[NH+](C)CC3)cccc1[N+](=O)[O-] ZINC000908494724 981447425 /nfs/dbraw/zinc/44/74/25/981447425.db2.gz LFOWPANHTOVPNP-UHFFFAOYSA-N 1 0 361.442 2.988 20 5 FFBDRO COC(=O)CC[C@@H]1CCC[N@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000877820907 1014739794 /nfs/dbraw/zinc/73/97/94/1014739794.db2.gz KEYRNMDGQCVSBK-ZDUSSCGKSA-N 1 0 366.414 2.777 20 5 FFBDRO CC[N@@H+]1CCCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)[C@@H](C)C1 ZINC000910295968 981902534 /nfs/dbraw/zinc/90/25/34/981902534.db2.gz QOXMRKIKDSEQIA-INIZCTEOSA-N 1 0 374.485 2.754 20 5 FFBDRO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@]12CC[N@H+](C1)CCC2 ZINC000897592911 982361287 /nfs/dbraw/zinc/36/12/87/982361287.db2.gz XFTHSIOHHPJDNX-HNNXBMFYSA-N 1 0 357.332 2.716 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+]C[C@H]2CCCC(C)(C)O2)cc1[N+](=O)[O-] ZINC000898049020 982588589 /nfs/dbraw/zinc/58/85/89/982588589.db2.gz UQFOBXSJDQTVGP-CQSZACIVSA-N 1 0 366.414 2.584 20 5 FFBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000843799620 982681629 /nfs/dbraw/zinc/68/16/29/982681629.db2.gz HMUPXRBUFVUXRZ-UHFFFAOYSA-N 1 0 372.400 2.832 20 5 FFBDRO C[C@@H]1C[C@H](C(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000912102906 983956771 /nfs/dbraw/zinc/95/67/71/983956771.db2.gz OJDQJZKDPKCTAG-GHMZBOCLSA-N 1 0 374.363 2.530 20 5 FFBDRO CC(C)Oc1cc(C(=O)N2C[C@]3(C)C[N@H+](C)C[C@]3(C)C2)ccc1[N+](=O)[O-] ZINC000913273144 984226089 /nfs/dbraw/zinc/22/60/89/984226089.db2.gz DGDJOXDBNIXPRD-KDURUIRLSA-N 1 0 361.442 2.796 20 5 FFBDRO Cc1nn(C[N@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000765084589 984956539 /nfs/dbraw/zinc/95/65/39/984956539.db2.gz WEDJSFZCPNKNSV-SCLBCKFNSA-N 1 0 354.414 2.990 20 5 FFBDRO CCOc1cc(N2CC[NH+](CC3(O)CCCCC3)CC2)ccc1[N+](=O)[O-] ZINC000796465422 1015086135 /nfs/dbraw/zinc/08/61/35/1015086135.db2.gz NHWQKLCPHUTFBG-UHFFFAOYSA-N 1 0 363.458 2.811 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]Cc3ccc(CO)c(F)c3)CC2)cc1 ZINC000765305329 985030733 /nfs/dbraw/zinc/03/07/33/985030733.db2.gz MWBFPQXTVOTEQQ-UHFFFAOYSA-N 1 0 359.401 2.985 20 5 FFBDRO Cc1c([N+](=O)[O-])cc(C(=O)NCCC[N@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000060962151 985095600 /nfs/dbraw/zinc/09/56/00/985095600.db2.gz IPSIBJNFBZZVCQ-LBPRGKRZSA-N 1 0 364.402 2.806 20 5 FFBDRO CC(C)(C)OC(=O)NC[C@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000170647133 985104416 /nfs/dbraw/zinc/10/44/16/985104416.db2.gz MBGQBJJRALNNRH-CQSZACIVSA-N 1 0 365.430 2.820 20 5 FFBDRO C/C(=C/C(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000785437976 985320511 /nfs/dbraw/zinc/32/05/11/985320511.db2.gz ACWOCUIEIIFOKC-UGEDRFTOSA-N 1 0 373.453 2.710 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](C)c1ccc(N2CCCCC2=O)cc1 ZINC000878632845 1015141564 /nfs/dbraw/zinc/14/15/64/1015141564.db2.gz JHIJZIIWHIHGKU-CQSZACIVSA-N 1 0 371.441 2.967 20 5 FFBDRO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC[N@H+](Cc2ccccc2)C1 ZINC000323971228 986388876 /nfs/dbraw/zinc/38/88/76/986388876.db2.gz CBLAKALVQIYVEF-HNNXBMFYSA-N 1 0 368.437 2.771 20 5 FFBDRO C[NH+](C)CC1(O)CCN(C(=O)c2cc3ccccc3c3cccnc23)CC1 ZINC000913681493 986825785 /nfs/dbraw/zinc/82/57/85/986825785.db2.gz KJWZPIZTLNVOCQ-UHFFFAOYSA-N 1 0 363.461 2.917 20 5 FFBDRO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000153094819 987633661 /nfs/dbraw/zinc/63/36/61/987633661.db2.gz GCNQDMWMHNKHCL-UHFFFAOYSA-N 1 0 356.426 2.817 20 5 FFBDRO COc1ccc(C[NH+](C)C)cc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000914844940 987959862 /nfs/dbraw/zinc/95/98/62/987959862.db2.gz BEXKZCWFQGKPSS-UHFFFAOYSA-N 1 0 374.353 2.826 20 5 FFBDRO O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)c1cc2ccccc2c2cccnc12 ZINC000670409949 988697860 /nfs/dbraw/zinc/69/78/60/988697860.db2.gz XSXANHMJORZBCM-QGZVFWFLSA-N 1 0 360.461 2.508 20 5 FFBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CC2(C3(O)CCOCC3)CC2)c1 ZINC000922597681 988743113 /nfs/dbraw/zinc/74/31/13/988743113.db2.gz VMLZVOXJGOPQJH-UHFFFAOYSA-N 1 0 372.368 2.608 20 5 FFBDRO CN(C(=O)C[N@@H+]1CCC[C@H]1[C@H](O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000879244860 1015435472 /nfs/dbraw/zinc/43/54/72/1015435472.db2.gz UBUWDCXREMWAQX-AZUAARDMSA-N 1 0 369.421 2.756 20 5 FFBDRO CCOc1ccc(C(=O)N2CC[C@H](C)[C@H](n3ccnc3)C2)cc1[N+](=O)[O-] ZINC000126338091 989091865 /nfs/dbraw/zinc/09/18/65/989091865.db2.gz VAPFHNWTRRKOAS-XJKSGUPXSA-N 1 0 358.398 2.913 20 5 FFBDRO CCO[C@@H]1C[C@@H]([N@H+](C)Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C12CCC2 ZINC000763236642 989249206 /nfs/dbraw/zinc/24/92/06/989249206.db2.gz RMGLPYVMHMUEKB-HZPDHXFCSA-N 1 0 359.430 2.885 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CC3(O)Cc4ccccc4C3)CC2)cc1 ZINC000766095438 990091718 /nfs/dbraw/zinc/09/17/18/990091718.db2.gz PLOCXALNRHAGON-UHFFFAOYSA-N 1 0 367.449 2.683 20 5 FFBDRO O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1NC1CC[NH+](CC2CC2)CC1 ZINC000917088458 990126277 /nfs/dbraw/zinc/12/62/77/990126277.db2.gz IOACXSGUKCZNJY-UHFFFAOYSA-N 1 0 358.442 2.773 20 5 FFBDRO CCC[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000174847728 990247544 /nfs/dbraw/zinc/24/75/44/990247544.db2.gz ZJDQTTRAEGYMOV-AWEZNQCLSA-N 1 0 367.450 2.513 20 5 FFBDRO Cc1cccc(C)c1C[NH2+]Cc1ccc(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001034816964 990277386 /nfs/dbraw/zinc/27/73/86/990277386.db2.gz XFRUFLRJEPNQGK-UYAOXDASSA-N 1 0 367.449 2.875 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H]3C[C@@H](O)C34CCOCC4)o2)cc1 ZINC000923022033 990793794 /nfs/dbraw/zinc/79/37/94/990793794.db2.gz VYZAPHBBFBLKFG-ZWKOTPCHSA-N 1 0 358.394 2.874 20 5 FFBDRO Cn1cc(CNCCC[NH+]2CCCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237912277 991392976 /nfs/dbraw/zinc/39/29/76/991392976.db2.gz PLAGOOKZYOMWPA-UHFFFAOYSA-N 1 0 357.458 2.961 20 5 FFBDRO COc1cc(CN2CC[C@H]3[C@H]2CCC[N@@H+]3C)c([N+](=O)[O-])cc1OC(F)F ZINC000880133372 1015763990 /nfs/dbraw/zinc/76/39/90/1015763990.db2.gz SXMQCEWTGSBQJW-QWHCGFSZSA-N 1 0 371.384 2.873 20 5 FFBDRO [NH3+]CCN(Cc1cnn(Cc2ccccc2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000809735173 994585160 /nfs/dbraw/zinc/58/51/60/994585160.db2.gz TWQJXFYZFUSPSA-UHFFFAOYSA-N 1 0 351.410 2.805 20 5 FFBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(N2CCCCC2=O)cc1 ZINC000810127332 994707044 /nfs/dbraw/zinc/70/70/44/994707044.db2.gz XYEJPYZZJNKBLT-CQSZACIVSA-N 1 0 357.414 2.659 20 5 FFBDRO CN(C)c1cccnc1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000810247793 994742851 /nfs/dbraw/zinc/74/28/51/994742851.db2.gz PVQNEMGSCPDHGS-UHFFFAOYSA-N 1 0 355.442 2.814 20 5 FFBDRO CCOc1cc(C(=O)O[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])cc1OC ZINC000810846302 994954519 /nfs/dbraw/zinc/95/45/19/994954519.db2.gz IROBERZTOZKVKJ-CHWSQXEVSA-N 1 0 364.398 2.786 20 5 FFBDRO CCC[NH+]1CCC(CNc2c([N+](=O)[O-])cc(CO)c(C)c2[N+](=O)[O-])CC1 ZINC000811787638 995261214 /nfs/dbraw/zinc/26/12/14/995261214.db2.gz NSIPRRRPYDEEIJ-UHFFFAOYSA-N 1 0 366.418 2.838 20 5 FFBDRO CCOc1cc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000888833176 1015958934 /nfs/dbraw/zinc/95/89/34/1015958934.db2.gz XXKCOZICDDGXQF-DZGCQCFKSA-N 1 0 362.430 2.942 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ncn(C[N@@H+]3CCC[C@@H]([C@H]4CCOC4)C3)n2)cc1 ZINC000747832278 995596130 /nfs/dbraw/zinc/59/61/30/995596130.db2.gz PAFWYKOXLZZKJV-CVEARBPZSA-N 1 0 357.414 2.559 20 5 FFBDRO CN(C(=O)Nc1ccc(N)c([N+](=O)[O-])c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000823979791 996771299 /nfs/dbraw/zinc/77/12/99/996771299.db2.gz CTIGBVHIVGVKJX-INIZCTEOSA-N 1 0 369.425 2.915 20 5 FFBDRO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc(N)c([N+](=O)[O-])c1)c1ccco1 ZINC000823998949 996774483 /nfs/dbraw/zinc/77/44/83/996774483.db2.gz XOKJLWCRIIRMJZ-HNNXBMFYSA-N 1 0 361.402 2.975 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1 ZINC000824827938 997118546 /nfs/dbraw/zinc/11/85/46/997118546.db2.gz JUAUQOQEVCDOIO-UONOGXRCSA-N 1 0 371.359 2.746 20 5 FFBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)CC[C@H]21 ZINC000827277679 1016124269 /nfs/dbraw/zinc/12/42/69/1016124269.db2.gz OFLVQJLQUYSQLA-FOIQADDNSA-N 1 0 361.445 2.848 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCc2ccc3c(c2)OC(F)(F)O3)c1 ZINC000844278533 997759613 /nfs/dbraw/zinc/75/96/13/997759613.db2.gz PUUARZXCUQEYLE-CQSZACIVSA-N 1 0 366.320 2.782 20 5 FFBDRO C[NH+](C)[C@H]1Cc2ccccc2N(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000844382191 997869114 /nfs/dbraw/zinc/86/91/14/997869114.db2.gz BDMVSCFEKPSLEJ-INIZCTEOSA-N 1 0 357.385 2.796 20 5 FFBDRO COC(=O)c1ncc([N+](=O)[O-])cc1-n1cc(C[C@H](C)[NH3+])c2ccc(C)cc21 ZINC001171168222 998403343 /nfs/dbraw/zinc/40/33/43/998403343.db2.gz PZAJBLVGZSIIBY-LBPRGKRZSA-N 1 0 368.393 2.918 20 5 FFBDRO COc1cc(C(=O)OC[C@@H]2CC[N@H+](C)[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000845814018 998665362 /nfs/dbraw/zinc/66/53/62/998665362.db2.gz JHBOWGMQDUMCHC-ZJUUUORDSA-N 1 0 374.340 2.702 20 5 FFBDRO C[N@@H+]1CCCC[C@H]1CCC(=O)OCc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000803856322 1016245020 /nfs/dbraw/zinc/24/50/20/1016245020.db2.gz OOAFTMBPZVIGLA-AWEZNQCLSA-N 1 0 374.397 2.953 20 5 FFBDRO C[NH+](C)CC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CC1 ZINC000733882413 999095584 /nfs/dbraw/zinc/09/55/84/999095584.db2.gz LDAUBIAGBUAYHF-UHFFFAOYSA-N 1 0 374.485 2.999 20 5 FFBDRO CC(C)[N@H+](C)CC1CCN(Cn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1 ZINC000738088455 999616265 /nfs/dbraw/zinc/61/62/65/999616265.db2.gz DWMPHNLCIFVUJA-UHFFFAOYSA-N 1 0 362.430 2.512 20 5 FFBDRO CCCC[NH+]1CCC(Nc2c([N+](=O)[O-])cc(CO)c(C)c2[N+](=O)[O-])CC1 ZINC000742396600 999772204 /nfs/dbraw/zinc/77/22/04/999772204.db2.gz AASXOEAKDZBXDS-UHFFFAOYSA-N 1 0 366.418 2.980 20 5 FFBDRO CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168956977 1000012758 /nfs/dbraw/zinc/01/27/58/1000012758.db2.gz DIDKHHIKURGGHW-UPJWGTAASA-N 1 0 363.405 2.666 20 5 FFBDRO CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](C[NH2+][C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC[C@@H]2C1 ZINC001168965014 1000013296 /nfs/dbraw/zinc/01/32/96/1000013296.db2.gz XHSLQULTXSRVMA-WRQOLXDDSA-N 1 0 367.490 2.915 20 5 FFBDRO O=C(c1cccc(F)c1)N1CCC(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168992910 1000013936 /nfs/dbraw/zinc/01/39/36/1000013936.db2.gz LIVJJEWTMVAJAQ-YJBOKZPZSA-N 1 0 363.433 2.713 20 5 FFBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+][C@H](CCO)c2cccc(Br)c2)C1 ZINC001168993635 1000013956 /nfs/dbraw/zinc/01/39/56/1000013956.db2.gz NZJYBCXPQUXCHL-TUKIKUTGSA-N 1 0 357.248 2.908 20 5 FFBDRO O=C(c1ccc(F)cc1)N1CCC(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168993595 1000014054 /nfs/dbraw/zinc/01/40/54/1000014054.db2.gz NLRFJWOKVPUFBB-YJBOKZPZSA-N 1 0 363.433 2.713 20 5 FFBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+][C@H]2CCCN(c3ncnc4ccccc43)C2)C1 ZINC001168998203 1000014227 /nfs/dbraw/zinc/01/42/27/1000014227.db2.gz JPHCSYXPOKKWMY-JYJNAYRXSA-N 1 0 355.442 2.634 20 5 FFBDRO CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2[C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169011327 1000015296 /nfs/dbraw/zinc/01/52/96/1000015296.db2.gz JWLVDVSZWXCLND-CAOSSQGBSA-N 1 0 353.463 2.763 20 5 FFBDRO CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2[C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169011328 1000015327 /nfs/dbraw/zinc/01/53/27/1000015327.db2.gz JWLVDVSZWXCLND-FXUDXRNXSA-N 1 0 353.463 2.763 20 5 FFBDRO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC[C@@H]21 ZINC001169010723 1000015407 /nfs/dbraw/zinc/01/54/07/1000015407.db2.gz FUIAMHHSKRWEKK-FPCVCCKLSA-N 1 0 353.463 2.763 20 5 FFBDRO CC(C)(C)OC(=O)N1CC2(C1)CCCC[N@@H+]2[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169011392 1000015646 /nfs/dbraw/zinc/01/56/46/1000015646.db2.gz KDAJAMMPHBZCJR-GJZGRUSLSA-N 1 0 353.463 2.907 20 5 FFBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C[C@H](c2ccccc2Cl)N2CCOCC2)C1 ZINC001168989993 1000016216 /nfs/dbraw/zinc/01/62/16/1000016216.db2.gz AHQVFBLQSUEXHP-IIDMSEBBSA-N 1 0 367.877 2.748 20 5 FFBDRO CC(C)(C)OC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169036857 1000016746 /nfs/dbraw/zinc/01/67/46/1000016746.db2.gz QIJDEHQFRWOMBH-LMINUHAASA-N 1 0 353.463 2.952 20 5 FFBDRO CC(C)(C)OC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169036869 1000016784 /nfs/dbraw/zinc/01/67/84/1000016784.db2.gz QIJDEHQFRWOMBH-RBZJEDDUSA-N 1 0 353.463 2.952 20 5 FFBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2CCCn3cnc(COc4cccnc4)c3C2)C1 ZINC001169018390 1000017236 /nfs/dbraw/zinc/01/72/36/1000017236.db2.gz AYLRYSOYPLOASX-HOTGVXAUSA-N 1 0 371.441 2.508 20 5 FFBDRO O=[N+]([O-])C[C@@H]1CC[C@@H](n2nc(-c3ccc(F)cc3)c3c2CC[NH2+]CC3)C1 ZINC001169025185 1000018087 /nfs/dbraw/zinc/01/80/87/1000018087.db2.gz SOMNPXCFQBLONR-CZUORRHYSA-N 1 0 358.417 2.995 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])ncc1N[C@H]1CC(C)(C)C[C@@](C)(C[NH3+])C1 ZINC001169154917 1000028291 /nfs/dbraw/zinc/02/82/91/1000028291.db2.gz ZLABKQHRBBLKER-GTNSWQLSSA-N 1 0 350.419 2.732 20 5 FFBDRO CCOC(=O)C1(Nc2ccc3cnccc3c2[N+](=O)[O-])CC[NH+](C)CC1 ZINC001169496439 1000053641 /nfs/dbraw/zinc/05/36/41/1000053641.db2.gz VDOBVOVGNDTPBU-UHFFFAOYSA-N 1 0 358.398 2.582 20 5 FFBDRO C/C(=C\C(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000785814311 1001487840 /nfs/dbraw/zinc/48/78/40/1001487840.db2.gz ACWOCUIEIIFOKC-MDJJKAFGSA-N 1 0 373.453 2.710 20 5 FFBDRO COc1cc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)ccc1[N+](=O)[O-] ZINC000785874123 1001493757 /nfs/dbraw/zinc/49/37/57/1001493757.db2.gz XRXMXGSYMQPAFC-UHFFFAOYSA-N 1 0 361.358 2.545 20 5 FFBDRO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000746665833 1001680612 /nfs/dbraw/zinc/68/06/12/1001680612.db2.gz GTXKJMCWYHXOAB-DZGCQCFKSA-N 1 0 367.450 2.559 20 5 FFBDRO COc1c(O)ccc(C[NH2+]CC[C@@H]2COc3ccccc3O2)c1[N+](=O)[O-] ZINC001182435087 1001867649 /nfs/dbraw/zinc/86/76/49/1001867649.db2.gz SWHQBLQFJXAONC-CYBMUJFWSA-N 1 0 360.366 2.629 20 5 FFBDRO CN(C)c1cc(F)c(C(=O)NCC2(C[NH+](C)C)CCCC2)cc1[N+](=O)[O-] ZINC000774463049 1001919977 /nfs/dbraw/zinc/91/99/77/1001919977.db2.gz DXASTSSWHXPJLW-UHFFFAOYSA-N 1 0 366.437 2.652 20 5 FFBDRO Cc1ccc2c(=O)c3cccc(CC(=O)N[C@H]4CC[NH2+]C4)c3oc2c1C ZINC001182509414 1001938243 /nfs/dbraw/zinc/93/82/43/1001938243.db2.gz CTULLKDKRUETHL-HNNXBMFYSA-N 1 0 350.418 2.584 20 5 FFBDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000746880403 1002284406 /nfs/dbraw/zinc/28/44/06/1002284406.db2.gz ZOGSNLJHBDCVBC-CQSZACIVSA-N 1 0 361.446 2.571 20 5 FFBDRO O=C1N(CN2CCOCC3(CCCC3)C2)CCN1c1ccccc1[N+](=O)[O-] ZINC000774656024 1002330306 /nfs/dbraw/zinc/33/03/06/1002330306.db2.gz ATJUBKGXHVBOPO-UHFFFAOYSA-N 1 0 374.441 2.687 20 5 FFBDRO Cc1c(CO)cc([N+](=O)[O-])c(NCC(C)(C)C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000790819505 1002501655 /nfs/dbraw/zinc/50/16/55/1002501655.db2.gz VGJFLXBITUSKHR-UHFFFAOYSA-N 1 0 366.418 2.838 20 5 FFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1Cc2ccccc2[C@H]1O ZINC001184250179 1002539405 /nfs/dbraw/zinc/53/94/05/1002539405.db2.gz DFNWDQPIRHLNSA-OEPMTFCVSA-N 1 0 355.394 2.560 20 5 FFBDRO COc1ccc(C[C@H](C)[NH2+]C2CN(C(=O)OC(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC001170294844 1003088810 /nfs/dbraw/zinc/08/88/10/1003088810.db2.gz DIAMJFPXBBKTME-LBPRGKRZSA-N 1 0 365.430 2.743 20 5 FFBDRO COc1ccc(C[C@@H](C)[NH2+]C[C@@H](O)COCc2ccccc2)c([N+](=O)[O-])c1 ZINC001170297206 1003091024 /nfs/dbraw/zinc/09/10/24/1003091024.db2.gz MBTPIDQIELYSMU-CRAIPNDOSA-N 1 0 374.437 2.702 20 5 FFBDRO COc1ccc(C[C@@H](C)[NH2+]CC(=O)N(C)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC001170297703 1003092015 /nfs/dbraw/zinc/09/20/15/1003092015.db2.gz QTDRACVGAZATAH-OAHLLOKOSA-N 1 0 371.437 2.783 20 5 FFBDRO COc1ccc(C[C@H](C)[NH2+]C[C@@H]2COc3ccccc3O2)c([N+](=O)[O-])c1 ZINC001170297558 1003092100 /nfs/dbraw/zinc/09/21/00/1003092100.db2.gz PHNPLAZXHAJNED-XJKSGUPXSA-N 1 0 358.394 2.964 20 5 FFBDRO CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNc2cc3cccnc3c3ncccc23)O1 ZINC001170284155 1003099681 /nfs/dbraw/zinc/09/96/81/1003099681.db2.gz PVZPRHAIGDTYIW-HLIPFELVSA-N 1 0 352.438 2.920 20 5 FFBDRO COc1ccc(C[C@H](C)[N@H+](C)CCNC(=O)OC(C)(C)C)c([N+](=O)[O-])c1 ZINC001170329755 1003115847 /nfs/dbraw/zinc/11/58/47/1003115847.db2.gz TWBJSLPLYGXOLT-ZDUSSCGKSA-N 1 0 367.446 2.991 20 5 FFBDRO COc1ccc(C[C@@H](C)[N@H+](C)[C@H]2CCC3(C2)OCCO3)c([N+](=O)[O-])c1 ZINC001170354373 1003121807 /nfs/dbraw/zinc/12/18/07/1003121807.db2.gz JVJNEBXINALODY-HIFRSBDPSA-N 1 0 350.415 2.762 20 5 FFBDRO CC(C)c1ccc(C[NH+]2CCC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1 ZINC001001401011 1016782465 /nfs/dbraw/zinc/78/24/65/1016782465.db2.gz XEVIHDHNTQNPBP-RTBURBONSA-N 1 0 359.470 2.803 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])cc(NC2CC(C)(C)[NH+](C)C(C)(C)C2)n1 ZINC001170453526 1003701272 /nfs/dbraw/zinc/70/12/72/1003701272.db2.gz LZHHLBIXBSWESL-UHFFFAOYSA-N 1 0 350.419 2.840 20 5 FFBDRO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000804815267 1003861528 /nfs/dbraw/zinc/86/15/28/1003861528.db2.gz QFQFFEMQBDNLLN-FUNVUKJBSA-N 1 0 365.405 2.972 20 5 FFBDRO CCCNC(=O)OC[C@H]1CCCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000805777058 1004129173 /nfs/dbraw/zinc/12/91/73/1004129173.db2.gz YQGLURAAPUWPQQ-SJORKVTESA-N 1 0 365.430 2.619 20 5 FFBDRO C[C@H](NCc1cc(Cl)cc(S(N)(=O)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC001192672282 1004232810 /nfs/dbraw/zinc/23/28/10/1004232810.db2.gz FXZCNTJHJSIICZ-JTQLQIEISA-N 1 0 369.830 2.746 20 5 FFBDRO Cc1noc(CN2CCC[N@H+](Cc3ccccc3)CCOCC2)c1[N+](=O)[O-] ZINC001198141263 1004494125 /nfs/dbraw/zinc/49/41/25/1004494125.db2.gz XVHMLQTXWYQUHV-UHFFFAOYSA-N 1 0 374.441 2.616 20 5 FFBDRO CC(C)C([NH2+]CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C(C)C ZINC000776027514 1005035852 /nfs/dbraw/zinc/03/58/52/1005035852.db2.gz GDKJBEIAEIVRPS-UHFFFAOYSA-N 1 0 362.474 2.514 20 5 FFBDRO COCC[C@@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1C)NC(=O)OC(C)(C)C ZINC001201989534 1005297514 /nfs/dbraw/zinc/29/75/14/1005297514.db2.gz PIRDYLDIUXZVDO-HNNXBMFYSA-N 1 0 367.446 2.923 20 5 FFBDRO Cn1cc([N+](=O)[O-])cc1C(=O)O[C@@H]1CC[N@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000776557934 1005928693 /nfs/dbraw/zinc/92/86/93/1005928693.db2.gz KWWKOAAFDSKELD-GOSISDBHSA-N 1 0 369.421 2.853 20 5 FFBDRO C[NH+](C)CCCn1cc(-n2c3ccccc3cc3c(=O)c(N)ccc2-3)cn1 ZINC001187169218 1005962930 /nfs/dbraw/zinc/96/29/30/1005962930.db2.gz LTWFYZUOXMVFHV-UHFFFAOYSA-N 1 0 361.449 2.826 20 5 FFBDRO O=C(CC[NH+]1CCC2(CCCC2=O)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000852631148 1006115288 /nfs/dbraw/zinc/11/52/88/1006115288.db2.gz LJGFTMVAOGLYLK-UHFFFAOYSA-N 1 0 363.389 2.898 20 5 FFBDRO Cc1cc(C)c(C[NH+]2CCC3(CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)CC2)c(C)c1 ZINC001050517619 1017035680 /nfs/dbraw/zinc/03/56/80/1017035680.db2.gz WWPUDFQLHSAPMY-IEBWSBKVSA-N 1 0 371.481 2.701 20 5 FFBDRO O=[N+]([O-])c1c(F)nccc1NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000882171579 1006311748 /nfs/dbraw/zinc/31/17/48/1006311748.db2.gz GISARMXKQCJVRD-OAHLLOKOSA-N 1 0 360.389 2.698 20 5 FFBDRO COc1c[nH+]ccc1N1CCN(c2cccc([N+](=O)[O-])c2C(C)=O)CC1 ZINC000882292182 1006346168 /nfs/dbraw/zinc/34/61/68/1006346168.db2.gz IRZPAPRENVFJJQ-UHFFFAOYSA-N 1 0 356.382 2.528 20 5 FFBDRO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000747958772 1006354007 /nfs/dbraw/zinc/35/40/07/1006354007.db2.gz DCUPAQWZJPIDEX-KGLIPLIRSA-N 1 0 367.450 2.559 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NCC1([NH+](C)C)CCCC1 ZINC000111221524 1006361766 /nfs/dbraw/zinc/36/17/66/1006361766.db2.gz MODTYWSCYOAMCF-UHFFFAOYSA-N 1 0 366.374 2.576 20 5 FFBDRO O=C1c2ccccc2C(=O)N1CCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000111394354 1006426338 /nfs/dbraw/zinc/42/63/38/1006426338.db2.gz VCRBWBWWFFNGOF-UHFFFAOYSA-N 1 0 353.378 2.761 20 5 FFBDRO CC1C[C@H]2CC[C@@H](C1)[N@H+]2CN1C(=O)N[C@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000853605218 1006471239 /nfs/dbraw/zinc/47/12/39/1006471239.db2.gz IBVMXSOVSVMADX-NBZMYEQFSA-N 1 0 372.425 2.582 20 5 FFBDRO CC1([NH+]2CCC2)CCN(c2ccc([N+](=O)[O-])cc2N2CCOC2=O)CC1 ZINC000882963883 1006578899 /nfs/dbraw/zinc/57/88/99/1006578899.db2.gz LUXWQMNCIZVMEE-UHFFFAOYSA-N 1 0 360.414 2.616 20 5 FFBDRO Cc1cc(N2C[C@H](O)CC3(CCOCC3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000883015666 1006600834 /nfs/dbraw/zinc/60/08/34/1006600834.db2.gz YKAINSZQOVBNTC-OAHLLOKOSA-N 1 0 357.410 2.819 20 5 FFBDRO C[C@@H]([NH2+]C[C@H](O)COc1ccc(F)c(F)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815577300 1006693773 /nfs/dbraw/zinc/69/37/73/1006693773.db2.gz MFMRYSXTQUHTOG-PWSUYJOCSA-N 1 0 367.352 2.546 20 5 FFBDRO COC[C@@]1(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)OCCc2ccccc21 ZINC000815626339 1006718978 /nfs/dbraw/zinc/71/89/78/1006718978.db2.gz BBPBUXFSDGXRFO-JLTOFOAXSA-N 1 0 371.437 2.942 20 5 FFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1ccc(N2CCNC2=O)cc1 ZINC000883288128 1006734674 /nfs/dbraw/zinc/73/46/74/1006734674.db2.gz SIHOPZBNJIDMMQ-ZDUSSCGKSA-N 1 0 372.400 2.984 20 5 FFBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)CC1 ZINC000816952851 1007274058 /nfs/dbraw/zinc/27/40/58/1007274058.db2.gz SVZIEHXBSJQYPX-DNVCBOLYSA-N 1 0 372.469 2.607 20 5 FFBDRO CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000776830042 1007543356 /nfs/dbraw/zinc/54/33/56/1007543356.db2.gz YUOJRYSVDVBFOB-ZFWWWQNUSA-N 1 0 365.430 2.950 20 5 FFBDRO [NH3+]C[C@@H]1Cc2ccccc2N1C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000817878784 1007794162 /nfs/dbraw/zinc/79/41/62/1007794162.db2.gz JIIBVWAHQRQVGJ-INIZCTEOSA-N 1 0 366.421 2.725 20 5 FFBDRO CCc1noc(C[C@@]2(O)CCC[N@@H+]([C@@H](C)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC000856671004 1007942891 /nfs/dbraw/zinc/94/28/91/1007942891.db2.gz LHMDZBNEDXZTQD-UGSOOPFHSA-N 1 0 360.414 2.671 20 5 FFBDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)C1 ZINC000818565002 1007944864 /nfs/dbraw/zinc/94/48/64/1007944864.db2.gz KPQCRDKJEUSWHS-CABCVRRESA-N 1 0 360.458 2.640 20 5 FFBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@@]1(c3ccccc3)CC[NH2+]C1)CC2 ZINC000818609513 1007966469 /nfs/dbraw/zinc/96/64/69/1007966469.db2.gz SSUCULZAWMAYGS-FQEVSTJZSA-N 1 0 351.406 2.724 20 5 FFBDRO CC(C)(C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCCO2 ZINC000818984554 1008000190 /nfs/dbraw/zinc/00/01/90/1008000190.db2.gz BZNDTSHHDYJLPV-QGZVFWFLSA-N 1 0 372.421 2.967 20 5 FFBDRO COc1c(C)cnc(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])c1C ZINC000818988934 1008001674 /nfs/dbraw/zinc/00/16/74/1008001674.db2.gz WBGIURQRDDFREM-UHFFFAOYSA-N 1 0 358.398 2.734 20 5 FFBDRO CC[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1nnc2n1CCCCC2 ZINC000819003727 1008005478 /nfs/dbraw/zinc/00/54/78/1008005478.db2.gz GVFKOFCSTQMKKQ-CVEARBPZSA-N 1 0 359.430 2.687 20 5 FFBDRO CC(C)(C)OC(=O)N(CC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000819007581 1008007148 /nfs/dbraw/zinc/00/71/48/1008007148.db2.gz NKZFDLVYVPTIQW-MRXNPFEDSA-N 1 0 365.430 2.617 20 5 FFBDRO O=C1CCCN1Cc1ccc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000818968385 1008011946 /nfs/dbraw/zinc/01/19/46/1008011946.db2.gz SFTHCROYTZGPQP-IBGZPJMESA-N 1 0 369.421 2.540 20 5 FFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@H]2CCCN2Cc2ccccc2)c1 ZINC000819073670 1008037230 /nfs/dbraw/zinc/03/72/30/1008037230.db2.gz WXJOBGJFJNOLAA-UXHICEINSA-N 1 0 355.438 2.882 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCOc2ncccc2C(F)(F)F)cc1 ZINC000819183716 1008060471 /nfs/dbraw/zinc/06/04/71/1008060471.db2.gz QVLOCLHWUQNMCC-CQSZACIVSA-N 1 0 371.315 2.711 20 5 FFBDRO C[C@H](c1ccncc1)N1CCC([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000819184251 1008061359 /nfs/dbraw/zinc/06/13/59/1008061359.db2.gz XQSNWOZQPCEQNZ-QRWLVFNGSA-N 1 0 370.453 2.838 20 5 FFBDRO Cc1c(C(=O)NCC2([NH+](C)C)CCCCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000857118078 1008062284 /nfs/dbraw/zinc/06/22/84/1008062284.db2.gz BSYPLCGDYDELFR-UHFFFAOYSA-N 1 0 364.402 2.806 20 5 FFBDRO Cc1c([N+](=O)[O-])cc(C(=O)NCC2([NH+](C)C)CCCCC2)cc1[N+](=O)[O-] ZINC000857119265 1008062291 /nfs/dbraw/zinc/06/22/91/1008062291.db2.gz ZYTUFYMGZSLJCK-UHFFFAOYSA-N 1 0 364.402 2.806 20 5 FFBDRO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819235896 1008066857 /nfs/dbraw/zinc/06/68/57/1008066857.db2.gz YXGLVASVGRGKLU-XPGWFJOJSA-N 1 0 355.438 2.738 20 5 FFBDRO C[C@@H]1[C@@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000819316077 1008110411 /nfs/dbraw/zinc/11/04/11/1008110411.db2.gz MVMWXMQWNYQTIA-XPGWFJOJSA-N 1 0 355.438 2.881 20 5 FFBDRO Cc1nn(C[N@@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)c2ncc([N+](=O)[O-])cc12 ZINC000819901716 1008246653 /nfs/dbraw/zinc/24/66/53/1008246653.db2.gz DUXRDLRSANEENS-KRWDZBQOSA-N 1 0 371.441 2.887 20 5 FFBDRO C[C@H]1CN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000820308209 1008315379 /nfs/dbraw/zinc/31/53/79/1008315379.db2.gz HWEKCSXSEKNVOC-CQSZACIVSA-N 1 0 363.433 2.999 20 5 FFBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 ZINC000820503735 1008346066 /nfs/dbraw/zinc/34/60/66/1008346066.db2.gz MUUNEJHLTBTKHE-YJBOKZPZSA-N 1 0 374.485 2.996 20 5 FFBDRO Nc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC001136354943 1008346829 /nfs/dbraw/zinc/34/68/29/1008346829.db2.gz DUXOYAAHJGNURE-UHFFFAOYSA-N 1 0 360.458 2.905 20 5 FFBDRO CC[NH+]1CCN(CCCNC(=O)c2cc([N+](=O)[O-])cc3ccccc32)CC1 ZINC000858463010 1008364666 /nfs/dbraw/zinc/36/46/66/1008364666.db2.gz SJBJWUXYOBZKKC-UHFFFAOYSA-N 1 0 370.453 2.505 20 5 FFBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC001177574481 1008664406 /nfs/dbraw/zinc/66/44/06/1008664406.db2.gz ZHXIVFJCMCBFID-YPZZQQJBSA-N 1 0 373.453 2.615 20 5 FFBDRO COc1cc(Cc2noc([C@@H]3C[C@H]3C3CC[NH2+]CC3)n2)ccc1[N+](=O)[O-] ZINC000822861765 1008799700 /nfs/dbraw/zinc/79/97/00/1008799700.db2.gz FVTXSQRSCNQVBQ-UONOGXRCSA-N 1 0 358.398 2.680 20 5 FFBDRO C[C@@H]1C[C@]2(CC[C@H](C[NH2+][C@@H]3CCCC[C@@H]3n3ccc([N+](=O)[O-])n3)O2)CO1 ZINC000886766079 1008866726 /nfs/dbraw/zinc/86/67/26/1008866726.db2.gz BLKRPSIFNULRPJ-MAPUTHEBSA-N 1 0 364.446 2.591 20 5 FFBDRO Cn1cnc([N+](=O)[O-])c1-c1noc(-c2ccccc2CC2CC[NH2+]CC2)n1 ZINC000823087777 1008912997 /nfs/dbraw/zinc/91/29/97/1008912997.db2.gz GGNOUQLRLJDWPH-UHFFFAOYSA-N 1 0 368.397 2.587 20 5 FFBDRO Cc1ccc(F)cc1C[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001178458471 1008994800 /nfs/dbraw/zinc/99/48/00/1008994800.db2.gz INNLZOOYYCXRFS-IAGOWNOFSA-N 1 0 351.422 2.566 20 5 FFBDRO O=C(NCCCCCC[NH2+]CCCCC(F)(F)F)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001178458671 1008995411 /nfs/dbraw/zinc/99/54/11/1008995411.db2.gz RGTJPEFAJDQELT-CHWSQXEVSA-N 1 0 353.385 2.650 20 5 FFBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823962327 1009281830 /nfs/dbraw/zinc/28/18/30/1009281830.db2.gz RLVWQKSMMFTGQX-GUYCJALGSA-N 1 0 369.425 2.819 20 5 FFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H](CO)Cc1ccccc1 ZINC000130356946 1009331767 /nfs/dbraw/zinc/33/17/67/1009331767.db2.gz YEXADZHSAOJFOA-YOEHRIQHSA-N 1 0 357.410 2.505 20 5 FFBDRO O=C(OCC12CCC[NH+](CCC1)C2)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000861356986 1009371209 /nfs/dbraw/zinc/37/12/09/1009371209.db2.gz FIBJRDJDMLUHNI-UHFFFAOYSA-N 1 0 370.409 2.813 20 5 FFBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCc3ccccc3OC2)c2c(c1)COCO2 ZINC000509445896 1009517461 /nfs/dbraw/zinc/51/74/61/1009517461.db2.gz FFCPBNPRCQPFEL-MRXNPFEDSA-N 1 0 356.378 2.945 20 5 FFBDRO COc1c(O)ccc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccco2)c1[N+](=O)[O-] ZINC001180112367 1009568384 /nfs/dbraw/zinc/56/83/84/1009568384.db2.gz IQWGUVRYGWVMNJ-ZFWWWQNUSA-N 1 0 362.382 2.990 20 5 FFBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC000889158581 1009843963 /nfs/dbraw/zinc/84/39/63/1009843963.db2.gz OTZNPRPDFSQIRI-LRDDRELGSA-N 1 0 356.426 2.742 20 5 FFBDRO C[C@H](CNC(=O)OC(C)(C)C)NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC001181101421 1009969349 /nfs/dbraw/zinc/96/93/49/1009969349.db2.gz BGVOLWZTDXKDKN-SNVBAGLBSA-N 1 0 350.375 2.739 20 5 FFBDRO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000862959639 1010056418 /nfs/dbraw/zinc/05/64/18/1010056418.db2.gz YXZFHRFXRRSENL-NXVVXOECSA-N 1 0 373.453 2.711 20 5 FFBDRO Nc1cc(CCCCNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)cc[nH+]1 ZINC001181969941 1010344010 /nfs/dbraw/zinc/34/40/10/1010344010.db2.gz YFNYGGDDTKCGLG-UHFFFAOYSA-N 1 0 367.409 2.735 20 5 FFBDRO C[N@H+](CN1C(=O)N[C@](C)(c2ccc([N+](=O)[O-])cc2)C1=O)[C@@H]1CCC(C)(C)C1 ZINC000794688345 1010474549 /nfs/dbraw/zinc/47/45/49/1010474549.db2.gz YKPFAOIYBFZVLJ-DNVCBOLYSA-N 1 0 374.441 2.830 20 5 FFBDRO C[N@H+](CN1C(=O)N[C@](C)(c2ccc([N+](=O)[O-])cc2)C1=O)[C@H]1CCC(C)(C)C1 ZINC000794688346 1010475001 /nfs/dbraw/zinc/47/50/01/1010475001.db2.gz YKPFAOIYBFZVLJ-HNAYVOBHSA-N 1 0 374.441 2.830 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCN2CCc3ccccc32)n1 ZINC000774141368 1010477689 /nfs/dbraw/zinc/47/76/89/1010477689.db2.gz CBKMNAIQDSZZQU-FUHWJXTLSA-N 1 0 355.442 2.927 20 5 FFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]Cc2cccc3c2OCCO3)n1 ZINC000774244595 1010541240 /nfs/dbraw/zinc/54/12/40/1010541240.db2.gz QLJXEHYFPAWXSG-CABCVRRESA-N 1 0 358.398 2.836 20 5 FFBDRO NC(=O)[C@@H]1C[C@@H]1C(=O)Nc1cc2oc3cc(=[NH2+])ccc-3nc2c2ccccc12 ZINC001182379706 1010542207 /nfs/dbraw/zinc/54/22/07/1010542207.db2.gz HNLSIYJDYWMKNS-KGLIPLIRSA-N 1 0 372.384 2.625 20 5 FFBDRO COc1cccc([C@@H](CNc2cc(F)c([N+](=O)[O-])cc2CO)[NH+](C)C)c1 ZINC000865407383 1010776239 /nfs/dbraw/zinc/77/62/39/1010776239.db2.gz HKTVOIIXRFUFCM-GOSISDBHSA-N 1 0 363.389 2.950 20 5 FFBDRO O=[N+]([O-])c1ccc2nccc(NC3CC[NH+](C[C@@H]4CCCO4)CC3)c2c1 ZINC000865440127 1010786814 /nfs/dbraw/zinc/78/68/14/1010786814.db2.gz JEXMRHQFJJSNQS-INIZCTEOSA-N 1 0 356.426 2.620 20 5 FFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H](CO)C[C@H](O)c1ccccc1 ZINC000866311559 1010974465 /nfs/dbraw/zinc/97/44/65/1010974465.db2.gz SMHQSEPDBQBASS-XVSDVWIESA-N 1 0 362.401 2.739 20 5 FFBDRO COCCN(CC1CC[NH+](C)CC1)C(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000869763432 1011923509 /nfs/dbraw/zinc/92/35/09/1011923509.db2.gz WGPBTJNQXUOTTI-OAHLLOKOSA-N 1 0 363.458 2.515 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1C[C@H](CO)[C@@H](C(F)(F)F)C1)CC2 ZINC001172905632 1012076735 /nfs/dbraw/zinc/07/67/35/1012076735.db2.gz UBCIZLZZUGQZLQ-FMKPAKJESA-N 1 0 358.360 2.945 20 5 FFBDRO CCOC(C[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1)OCC ZINC001173006405 1012173120 /nfs/dbraw/zinc/17/31/20/1012173120.db2.gz UKFDRQUUKOAJAA-UHFFFAOYSA-N 1 0 373.400 2.831 20 5 FFBDRO C[C@@H]1C[N@@H+](C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)CC[C@]1(C)O ZINC001173009263 1012176644 /nfs/dbraw/zinc/17/66/44/1012176644.db2.gz ANYPJDBSCVRIHW-XIKOKIGWSA-N 1 0 369.412 2.935 20 5 FFBDRO C[C@@H]1C[N@@H+](C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)CC[C@@H]1O ZINC001173010221 1012179563 /nfs/dbraw/zinc/17/95/63/1012179563.db2.gz OAAAXZNQKIHBSE-BZNIZROVSA-N 1 0 355.385 2.545 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH2+]C[C@H]3CC[C@H](O)CC3)CC2)c(F)c1 ZINC001173011721 1012181501 /nfs/dbraw/zinc/18/15/01/1012181501.db2.gz HTCUCCYALDDLPY-NNUKFRKNSA-N 1 0 369.412 2.983 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(N2CCC([N@@H+]3CC[C@@H]4OCC[C@@H]4C3)CC2)c(F)c1 ZINC001173015434 1012187764 /nfs/dbraw/zinc/18/77/64/1012187764.db2.gz QCNRIJFFDAAGMO-PXAZEXFGSA-N 1 0 367.396 2.953 20 5 FFBDRO C[N@H+](C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1)[C@H]1CCCOC1 ZINC001173020475 1012192856 /nfs/dbraw/zinc/19/28/56/1012192856.db2.gz SAPVSOLAVISIHO-ZDUSSCGKSA-N 1 0 355.385 2.953 20 5 FFBDRO CCOc1nccc(C[NH2+][C@@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])n1 ZINC001173178543 1012320985 /nfs/dbraw/zinc/32/09/85/1012320985.db2.gz IHURQUGHEQYFLN-NSHDSACASA-N 1 0 364.377 2.652 20 5 FFBDRO COC(=O)[C@H]1CC[C@H]([NH2+][C@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])CC1 ZINC001173180023 1012324996 /nfs/dbraw/zinc/32/49/96/1012324996.db2.gz SAYNZWXSRDCQQC-JHJVBQTASA-N 1 0 368.405 2.995 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)n2c(C)nc3c2CC[NH2+]CC3)c1F ZINC001173183047 1012325747 /nfs/dbraw/zinc/32/57/47/1012325747.db2.gz VYWFIZUYQODQNR-LLVKDONJSA-N 1 0 362.405 2.739 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CCCc3ccc(C[NH3+])nc32)c1F ZINC001173191577 1012333147 /nfs/dbraw/zinc/33/31/47/1012333147.db2.gz MUSDFMBGWNJLLY-GFCCVEGCSA-N 1 0 374.416 2.980 20 5 FFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc(N2CCOCC2=O)cc1 ZINC001173221387 1012351281 /nfs/dbraw/zinc/35/12/81/1012351281.db2.gz MVDBVDJYQZYIRY-HNNXBMFYSA-N 1 0 369.421 2.679 20 5 FFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)n1cc(C[C@@H]([NH3+])C(N)=O)c2ccccc21 ZINC001173217082 1012351416 /nfs/dbraw/zinc/35/14/16/1012351416.db2.gz LDJQHPOSAPNOGX-FZKQIMNGSA-N 1 0 366.421 2.708 20 5 FFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)n1cc(C[C@H]([NH3+])C(N)=O)c2ccccc21 ZINC001173217081 1012352096 /nfs/dbraw/zinc/35/20/96/1012352096.db2.gz LDJQHPOSAPNOGX-ACJLOTCBSA-N 1 0 366.421 2.708 20 5 FFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(NC(=O)c2cccnc2)CC1 ZINC001173230968 1012363810 /nfs/dbraw/zinc/36/38/10/1012363810.db2.gz HDCLQCFUEVCPGA-HNNXBMFYSA-N 1 0 368.437 2.815 20 5 FFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC001173229111 1012363980 /nfs/dbraw/zinc/36/39/80/1012363980.db2.gz PZQUSEGKGZKMQL-BHYGNILZSA-N 1 0 353.422 2.807 20 5 FFBDRO C[C@@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(CCCCC[NH+]2CCCC2)C1=O ZINC000925329435 1017712031 /nfs/dbraw/zinc/71/20/31/1017712031.db2.gz AZIBPFACDYNRCK-IBGZPJMESA-N 1 0 374.441 2.628 20 5 FFBDRO Cn1nc(C(F)(F)F)cc1C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000926926535 1018295057 /nfs/dbraw/zinc/29/50/57/1018295057.db2.gz BGDPQBUNROJBIE-NEPJUHHUSA-N 1 0 372.351 2.817 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@H]2CCC3(CCOCC3)O2)n1 ZINC000927014753 1018325954 /nfs/dbraw/zinc/32/59/54/1018325954.db2.gz PEJUISUPQHNPJF-OWCLPIDISA-N 1 0 364.446 2.593 20 5 FFBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N1CCC(Nc2ccccn2)CC1 ZINC000927096654 1018358935 /nfs/dbraw/zinc/35/89/35/1018358935.db2.gz GCKSDDNMGKSGDV-UHFFFAOYSA-N 1 0 370.409 2.862 20 5 FFBDRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000681992616 1018662034 /nfs/dbraw/zinc/66/20/34/1018662034.db2.gz OUCFQFNHDBBBPI-MRXNPFEDSA-N 1 0 361.445 2.895 20 5 FFBDRO COC(=O)Cc1ccc(N2CCC(CCC[NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000827843618 1018776677 /nfs/dbraw/zinc/77/66/77/1018776677.db2.gz LUSNCHKMMICFIS-UHFFFAOYSA-N 1 0 363.458 2.869 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1CCc2ccccc2OC1 ZINC000801575853 1019133665 /nfs/dbraw/zinc/13/36/65/1019133665.db2.gz MDCNWQFRCVNJFE-OAHLLOKOSA-N 1 0 355.394 2.825 20 5 FFBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000801836641 1019433413 /nfs/dbraw/zinc/43/34/13/1019433413.db2.gz POWUJVISLNVLMR-GXTWGEPZSA-N 1 0 372.400 2.881 20 5 FFBDRO C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)C[N@@H+]1Cc1ccccc1 ZINC000801921039 1019512898 /nfs/dbraw/zinc/51/28/98/1019512898.db2.gz WONIHUNTUVTPNN-TZMCWYRMSA-N 1 0 372.400 2.709 20 5 FFBDRO CC(C)[N@H+](Cc1ccc(OCC(N)=O)cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000725796716 1020260922 /nfs/dbraw/zinc/26/09/22/1020260922.db2.gz PFNADUFSVPKMPT-UHFFFAOYSA-N 1 0 357.410 2.870 20 5 FFBDRO COc1cc([C@H](C)[NH2+]Cc2ccc3c(c2)C(=O)NCC3)cc([N+](=O)[O-])c1 ZINC000903148471 1020703866 /nfs/dbraw/zinc/70/38/66/1020703866.db2.gz SEVBNNUFHMOIOQ-LBPRGKRZSA-N 1 0 355.394 2.740 20 5 FFBDRO CCOc1cc(C[NH+]2CCC([C@]3(C)COC(=O)N3)CC2)ccc1[N+](=O)[O-] ZINC000932099969 1020706868 /nfs/dbraw/zinc/70/68/68/1020706868.db2.gz ZTWDUSBXSQXGTP-SFHVURJKSA-N 1 0 363.414 2.704 20 5 FFBDRO COc1cc(O[C@@H]2CCC[NH2+]C2)c2c(c1)oc1ccc(OC)c(O)c1c2=O ZINC001217963289 1032923694 /nfs/dbraw/zinc/92/36/94/1032923694.db2.gz SIHXMDBSKJQVRD-LLVKDONJSA-N 1 0 371.389 2.800 20 5 FFBDRO CN(C)c1cc[nH+]c(CN[C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000903198674 1020734314 /nfs/dbraw/zinc/73/43/14/1020734314.db2.gz OPRBPGALKOFUNP-GOSISDBHSA-N 1 0 366.425 2.669 20 5 FFBDRO C[C@H]1C[NH2+]CCC[C@@H]1Oc1cc(O)cc2oc3c(O)ccc(O)c3c(=O)c12 ZINC001217995923 1032939176 /nfs/dbraw/zinc/93/91/76/1032939176.db2.gz ZPLNITLTBOVDJL-HZMBPMFUSA-N 1 0 371.389 2.830 20 5 FFBDRO O=[N+]([O-])c1ccc(I)c(O[C@@H]2CCC[NH2+]CC2)c1 ZINC001217997609 1032940809 /nfs/dbraw/zinc/94/08/09/1032940809.db2.gz WAAQWJSYHLMAKH-SNVBAGLBSA-N 1 0 362.167 2.720 20 5 FFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C2CCN(Cc3ccccc3)CC2)c1 ZINC000749647561 1021017287 /nfs/dbraw/zinc/01/72/87/1021017287.db2.gz NWGNFVWEEYHAGB-FQEVSTJZSA-N 1 0 355.438 2.882 20 5 FFBDRO COc1ccc(C[N@H+](CCCO)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000934504561 1021265053 /nfs/dbraw/zinc/26/50/53/1021265053.db2.gz AJZUPGDBCQCCKV-LJQANCHMSA-N 1 0 360.410 2.521 20 5 FFBDRO O=[N+]([O-])c1c2c(cc(Br)c1O[C@@H]1CC[NH2+]C[C@H]1F)CCC2 ZINC001218071409 1032979512 /nfs/dbraw/zinc/97/95/12/1032979512.db2.gz PIDLFENLDMDATB-VXGBXAGGSA-N 1 0 359.195 2.925 20 5 FFBDRO COC(=O)c1cc(Cl)cc([N+](=O)[O-])c1O[C@@H]1CCC[C@@]12CC[NH2+]C2 ZINC001218094139 1032991895 /nfs/dbraw/zinc/99/18/95/1032991895.db2.gz LSVPZGJADASEER-CJNGLKHVSA-N 1 0 354.790 2.946 20 5 FFBDRO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC001118638755 1022329963 /nfs/dbraw/zinc/32/99/63/1022329963.db2.gz FYJALPNEFLCLBP-JQWIXIFHSA-N 1 0 355.826 2.825 20 5 FFBDRO C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CCN1c1cc[nH+]cc1 ZINC000829216109 1033048383 /nfs/dbraw/zinc/04/83/83/1033048383.db2.gz UKASZFFUAVUIJH-NIKGAXFTSA-N 1 0 366.421 2.831 20 5 FFBDRO O=C(OCc1cccnc1[N+](=O)[O-])[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001119396145 1022738991 /nfs/dbraw/zinc/73/89/91/1022738991.db2.gz DIXHEQGUARBXFP-MRXNPFEDSA-N 1 0 355.394 2.945 20 5 FFBDRO COc1cc(CNCC[N@@H+]2CCC[C@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000779121724 1022837588 /nfs/dbraw/zinc/83/75/88/1022837588.db2.gz XNNUBSMJNZBRPK-GFCCVEGCSA-N 1 0 373.400 2.821 20 5 FFBDRO C[N@H+](C1CCCC1)C(C)(C)C(=O)OCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000779123195 1022845323 /nfs/dbraw/zinc/84/53/23/1022845323.db2.gz ZSNKYZZGWUHMSM-UHFFFAOYSA-N 1 0 363.414 2.730 20 5 FFBDRO COc1c(O)cc(O[C@H]2CCC[NH2+]C2)c2c(=O)c3ccccc3n(C)c12 ZINC001218287419 1033087426 /nfs/dbraw/zinc/08/74/26/1033087426.db2.gz YZZYLDZJXCXTHY-LBPRGKRZSA-N 1 0 354.406 2.537 20 5 FFBDRO [NH3+]CC[C@@H]1Cc2ccccc2N(C(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC001122330106 1023194624 /nfs/dbraw/zinc/19/46/24/1023194624.db2.gz GQYWTRRGFJCFLJ-CQSZACIVSA-N 1 0 355.394 2.528 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N3CC[C@@H]4CC[C@@]43C[NH3+])cc2[N+](=O)[O-])CC1 ZINC001122410162 1023251166 /nfs/dbraw/zinc/25/11/66/1023251166.db2.gz JNHRQPQTHPFLJQ-OXJNMPFZSA-N 1 0 372.469 2.785 20 5 FFBDRO Cc1cc(N[C@H]2CC[N@@H+](C3CCC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001161178068 1033120543 /nfs/dbraw/zinc/12/05/43/1033120543.db2.gz ZGDNXQOLSWQEHV-HNNXBMFYSA-N 1 0 353.426 2.821 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)O[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001122803271 1023483742 /nfs/dbraw/zinc/48/37/42/1023483742.db2.gz WWWUHVQWZOUNSC-WMLDXEAASA-N 1 0 372.425 2.554 20 5 FFBDRO CC(C)Cn1c([C@H](C)[N+](=O)[O-])nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC001122822980 1023495781 /nfs/dbraw/zinc/49/57/81/1023495781.db2.gz MMKUMGGZSBWJMW-HNNXBMFYSA-N 1 0 366.510 2.828 20 5 FFBDRO CC(C)Cn1c([C@@H](C)[N+](=O)[O-])nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC001122823392 1023496686 /nfs/dbraw/zinc/49/66/86/1023496686.db2.gz ZAPYHYJMFZTFSL-HUUCEWRRSA-N 1 0 364.494 2.582 20 5 FFBDRO O=[N+]([O-])c1ccc(O[C@@H]2C[NH2+]CCC23CC3)c(I)c1 ZINC001218400754 1033138584 /nfs/dbraw/zinc/13/85/84/1033138584.db2.gz YLMWCICMASESHT-GFCCVEGCSA-N 1 0 374.178 2.720 20 5 FFBDRO O=C1N(C[N@@H+]2CC[C@H](C3CCOCC3)C2)CCN1c1ccccc1[N+](=O)[O-] ZINC000754786536 1023517609 /nfs/dbraw/zinc/51/76/09/1023517609.db2.gz VROQFGMDRFJRBZ-INIZCTEOSA-N 1 0 374.441 2.543 20 5 FFBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000754882068 1023532535 /nfs/dbraw/zinc/53/25/35/1023532535.db2.gz AHOLGHSAVUOGTO-CCEZHUSRSA-N 1 0 352.394 2.742 20 5 FFBDRO C[C@H]1CC[C@@H](Oc2cccc(I)c2[N+](=O)[O-])C[NH2+]1 ZINC001218409206 1033142174 /nfs/dbraw/zinc/14/21/74/1033142174.db2.gz XZPXBDTVXQPBDV-DTWKUNHWSA-N 1 0 362.167 2.719 20 5 FFBDRO C[C@H]1C[NH2+]CC[C@H]1Oc1ccc(I)cc1[N+](=O)[O-] ZINC001218412377 1033143364 /nfs/dbraw/zinc/14/33/64/1033143364.db2.gz FFLBBSSJSNPRGH-GZMMTYOYSA-N 1 0 362.167 2.576 20 5 FFBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)OC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000755676488 1023622546 /nfs/dbraw/zinc/62/25/46/1023622546.db2.gz AIBWXOLTQIDJCN-KAPURRDVSA-N 1 0 362.426 2.898 20 5 FFBDRO Cc1cc(C(=O)Nc2cc(N3CC[NH+](C)CC3)ccc2[N+](=O)[O-])c(C)o1 ZINC001121252636 1023671489 /nfs/dbraw/zinc/67/14/89/1023671489.db2.gz NKHYTQIDMNKLPF-UHFFFAOYSA-N 1 0 358.398 2.809 20 5 FFBDRO Cc1c(-c2nnc(N3CC[C@H]([NH+]4CCCCC4)C3)n2C)cccc1[N+](=O)[O-] ZINC001121381013 1023739672 /nfs/dbraw/zinc/73/96/72/1023739672.db2.gz JADKAFRSJXIVOA-HNNXBMFYSA-N 1 0 370.457 2.763 20 5 FFBDRO Cc1ccc(C(=O)c2cc(O)c(O[C@H]3[C@@H]4CC[C@H]3[NH2+]C4)c([N+](=O)[O-])c2)cc1 ZINC001218444309 1033158876 /nfs/dbraw/zinc/15/88/76/1033158876.db2.gz KUSFPNIGKJXRFF-MUKKUYKPSA-N 1 0 368.389 2.969 20 5 FFBDRO CC[NH+](CC)CC[C@@H](C)NC(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC001123733651 1023975608 /nfs/dbraw/zinc/97/56/08/1023975608.db2.gz LBMUXDNLTPZVAZ-CYBMUJFWSA-N 1 0 352.435 2.523 20 5 FFBDRO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccnc(-c4ccccc4)c3[N+](=O)[O-])[C@@H]2C1 ZINC001124004204 1024218206 /nfs/dbraw/zinc/21/82/06/1024218206.db2.gz UWAMOBIPLHOQMG-USXIJHARSA-N 1 0 366.421 2.727 20 5 FFBDRO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])NC[C@H]1C[NH2+]CCC1(F)F ZINC001122133968 1024370614 /nfs/dbraw/zinc/37/06/14/1024370614.db2.gz KLTPYIIPMXSPDL-SNVBAGLBSA-N 1 0 361.776 2.542 20 5 FFBDRO O=C(N[C@@H]1CC2(CC[NH2+]CC2)Oc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC001122138508 1024375736 /nfs/dbraw/zinc/37/57/36/1024375736.db2.gz JGKNVSPCVBSXAV-QGZVFWFLSA-N 1 0 367.405 2.971 20 5 FFBDRO CC(C)[NH2+]C1CCN(c2nnc([C@H](C)[N+](=O)[O-])n2Cc2ccccc2)CC1 ZINC001122148252 1024383789 /nfs/dbraw/zinc/38/37/89/1024383789.db2.gz IIJCFTZBEGOFMC-HNNXBMFYSA-N 1 0 372.473 2.631 20 5 FFBDRO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cn3)cc2F)CC1 ZINC000829558317 1033215990 /nfs/dbraw/zinc/21/59/90/1033215990.db2.gz QOMGKUNIEQKSES-UHFFFAOYSA-N 1 0 373.388 2.523 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N[C@H](C)C(C)(C)C[NH+](C)C ZINC000759236336 1024530023 /nfs/dbraw/zinc/53/00/23/1024530023.db2.gz NQNADQUMKUVXMG-SNVBAGLBSA-N 1 0 368.390 2.678 20 5 FFBDRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000195466305 1025022448 /nfs/dbraw/zinc/02/24/48/1025022448.db2.gz LOISGXXESSNQRP-HOTGVXAUSA-N 1 0 364.465 2.724 20 5 FFBDRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000195466301 1025023006 /nfs/dbraw/zinc/02/30/06/1025023006.db2.gz LOISGXXESSNQRP-IYBDPMFKSA-N 1 0 364.465 2.724 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CO[C@H]1CC[C@H]([NH+]2CCOCC2)CC1 ZINC001223107328 1033291227 /nfs/dbraw/zinc/29/12/27/1033291227.db2.gz KHDLWUCGTVWITF-JCNLHEQBSA-N 1 0 350.415 2.763 20 5 FFBDRO COC(=O)c1cc(C(=O)OC[C@@H]2CCCC[N@@H+]2C(C)C)cc([N+](=O)[O-])c1 ZINC000837342875 1025734232 /nfs/dbraw/zinc/73/42/32/1025734232.db2.gz CBJIKTHIMXYQGR-HNNXBMFYSA-N 1 0 364.398 2.801 20 5 FFBDRO CC[NH+](CC)[C@H](CNC(=O)c1[nH]nc([N+](=O)[O-])c1Cl)c1ccccc1 ZINC001141284949 1025762199 /nfs/dbraw/zinc/76/21/99/1025762199.db2.gz OHWVROAMJAFRSX-GFCCVEGCSA-N 1 0 365.821 2.784 20 5 FFBDRO Cn1ccnc1[C@H](O)C1CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000089925295 1025871908 /nfs/dbraw/zinc/87/19/08/1025871908.db2.gz QIFHWCZRIJIHEF-GOSISDBHSA-N 1 0 374.441 2.543 20 5 FFBDRO CCCc1[nH]nc(C(=O)O[C@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000837700489 1025971153 /nfs/dbraw/zinc/97/11/53/1025971153.db2.gz UZRZTKBPJQPKQN-AWEZNQCLSA-N 1 0 358.398 2.702 20 5 FFBDRO C[NH+]1CCN(Cc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3F)cc2)CC1 ZINC000839250495 1026632622 /nfs/dbraw/zinc/63/26/22/1026632622.db2.gz JTFAIFGGZJSIGJ-UHFFFAOYSA-N 1 0 372.400 2.734 20 5 FFBDRO C[N@H+](C1CN(c2ccc3c(ccc(Cl)c3[N+](=O)[O-])n2)C1)[C@H]1CCOC1 ZINC001158731280 1027116178 /nfs/dbraw/zinc/11/61/78/1027116178.db2.gz JQPCXIPCIBJIBL-NSHDSACASA-N 1 0 362.817 2.706 20 5 FFBDRO COc1ncc(Nc2ccc(OCC3CC[NH2+]CC3)nc2)cc1[N+](=O)[O-] ZINC001159344293 1027361456 /nfs/dbraw/zinc/36/14/56/1027361456.db2.gz SRHWQHBPARCWCZ-UHFFFAOYSA-N 1 0 359.386 2.515 20 5 FFBDRO CCOC(=O)C1=C(N=c2cc(C)c3cc([N+](=O)[O-])ccc3[nH]2)CC[NH2+]C1 ZINC001159452950 1027395002 /nfs/dbraw/zinc/39/50/02/1027395002.db2.gz KZNONASUXDRLKM-UHFFFAOYSA-N 1 0 356.382 2.674 20 5 FFBDRO COC(=O)c1ccnc(-n2cc(C[C@H](C)[NH3+])c3ccc(C)cc32)c1[N+](=O)[O-] ZINC001160010598 1027561257 /nfs/dbraw/zinc/56/12/57/1027561257.db2.gz ISRXRNGZDJCBDA-LBPRGKRZSA-N 1 0 368.393 2.918 20 5 FFBDRO O=C(NCCC1=CC[N@H+](Cc2cccc(Cl)c2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001160098323 1027588966 /nfs/dbraw/zinc/58/89/66/1027588966.db2.gz YDCBJLLEDARWOL-IAGOWNOFSA-N 1 0 363.845 2.644 20 5 FFBDRO CCCc1ccc(C[N@H+]2CC=C(CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1 ZINC001160097832 1027589759 /nfs/dbraw/zinc/58/97/59/1027589759.db2.gz KOKLUZBIJUPKGR-WOJBJXKFSA-N 1 0 371.481 2.943 20 5 FFBDRO O=[N+]([O-])c1c(Cl)nc(Cl)nc1N[C@H]1CC[NH2+]C[C@H]1C(F)(F)F ZINC001160736779 1027845362 /nfs/dbraw/zinc/84/53/62/1027845362.db2.gz NBLGZAIRZKXCPG-UHNVWZDZSA-N 1 0 360.123 2.644 20 5 FFBDRO O=C(c1cccc([N+](=O)[O-])c1Cl)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC001153748914 1027978891 /nfs/dbraw/zinc/97/88/91/1027978891.db2.gz BGPUBSQYELSXTF-ZDUSSCGKSA-N 1 0 367.833 2.621 20 5 FFBDRO O=[N+]([O-])c1ccc(NC2CCN([C@@H]3CC[NH2+]C3)CC2)nc1-c1ccccc1 ZINC001161471762 1028191778 /nfs/dbraw/zinc/19/17/78/1028191778.db2.gz FRGXUGLBRAYJRD-QGZVFWFLSA-N 1 0 367.453 2.895 20 5 FFBDRO CC(C)C[C@H](CNc1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-])[NH+](C)C ZINC001162078920 1028422511 /nfs/dbraw/zinc/42/25/11/1028422511.db2.gz PKPLLSMVMZPWRB-CYBMUJFWSA-N 1 0 361.402 2.861 20 5 FFBDRO C[NH+](C)C[C@H]1COCCN1c1nc2ccccc2c(Cl)c1[N+](=O)[O-] ZINC001154968719 1028532532 /nfs/dbraw/zinc/53/25/32/1028532532.db2.gz PMPOIOIJTHWSRU-NSHDSACASA-N 1 0 350.806 2.563 20 5 FFBDRO COC(=O)COc1c(C)cc(NC[C@H]2CCC[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC001162470492 1028549793 /nfs/dbraw/zinc/54/97/93/1028549793.db2.gz KZQDKWXZUDKBAU-ZIAGYGMSSA-N 1 0 365.430 2.503 20 5 FFBDRO CCOC1(OCC)CC[NH2+]C[C@@H]1Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC001162725087 1028634165 /nfs/dbraw/zinc/63/41/65/1028634165.db2.gz JFLDOKKBOTZYSF-INIZCTEOSA-N 1 0 360.414 2.686 20 5 FFBDRO COC(=O)Cc1ccc(NCc2ccc3c(c2)CC[NH2+]C3)cc1[N+](=O)[O-] ZINC001162810408 1028665021 /nfs/dbraw/zinc/66/50/21/1028665021.db2.gz STBXZBRROCNGSM-UHFFFAOYSA-N 1 0 355.394 2.568 20 5 FFBDRO [NH3+]C[C@@H](CO)c1ccc(Nc2ccc(-c3ccccc3[N+](=O)[O-])nn2)cc1 ZINC001163058642 1028780741 /nfs/dbraw/zinc/78/07/41/1028780741.db2.gz OIUIXBQQLIFBKB-AWEZNQCLSA-N 1 0 365.393 2.830 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)c(Cl)nc1NC[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001155593123 1028805298 /nfs/dbraw/zinc/80/52/98/1028805298.db2.gz XSIDFHVSHYPXLD-YMTOWFKASA-N 1 0 361.229 2.867 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ccc(NC[C@H]3CO[C@]4(C3)CCC[NH2+]C4)nn2)cc1 ZINC001155597258 1028806723 /nfs/dbraw/zinc/80/67/23/1028806723.db2.gz LBBSABYLSKJDFF-LIRRHRJNSA-N 1 0 369.425 2.622 20 5 FFBDRO NC1=CC=C(C2CCN(c3nc(Cl)cc(Cl)c3[N+](=O)[O-])CC2)[NH2+]C1 ZINC001163130663 1028816227 /nfs/dbraw/zinc/81/62/27/1028816227.db2.gz CEFGLURBWNOTSN-UHFFFAOYSA-N 1 0 370.240 2.843 20 5 FFBDRO COC(=O)c1cc(C)nc(N[C@@H]2CC[NH2+][C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC001163212440 1028842827 /nfs/dbraw/zinc/84/28/27/1028842827.db2.gz VIUBLKSLPIJSGB-CABCVRRESA-N 1 0 356.382 2.600 20 5 FFBDRO CN(C)/C=C/c1cc(NC[C@@H]2Cc3ccccc3C[NH2+]2)ncc1[N+](=O)[O-] ZINC001163274536 1028865995 /nfs/dbraw/zinc/86/59/95/1028865995.db2.gz VOMALVXZAVSDBM-OZSKJFCKSA-N 1 0 353.426 2.649 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ccccc2)nc1N[C@@H]1CCO[C@]2(CC[NH2+]C2)C1 ZINC001163308963 1028885111 /nfs/dbraw/zinc/88/51/11/1028885111.db2.gz FWWDVXSEGRVTDQ-DNVCBOLYSA-N 1 0 354.410 2.980 20 5 FFBDRO O=C(CNc1ncc([N+](=O)[O-])c2ccccc21)NCC[NH+]1CCCCCC1 ZINC001163413561 1028920728 /nfs/dbraw/zinc/92/07/28/1028920728.db2.gz UZRLCNMGPLLZFI-UHFFFAOYSA-N 1 0 371.441 2.547 20 5 FFBDRO Cc1ccc(Cl)c(CNc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)c1F ZINC001155833336 1028933156 /nfs/dbraw/zinc/93/31/56/1028933156.db2.gz ULHXKJNIVCCMQM-UHFFFAOYSA-N 1 0 351.769 2.785 20 5 FFBDRO CCN(c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1)[C@H](C)Cc1ccc(OC)cc1 ZINC001163833543 1029083171 /nfs/dbraw/zinc/08/31/71/1029083171.db2.gz CAYNXKCPPVYSOF-CYBMUJFWSA-N 1 0 371.441 2.538 20 5 FFBDRO O=[N+]([O-])c1cc(CO)c(NC[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)cc1F ZINC001164146557 1029184821 /nfs/dbraw/zinc/18/48/21/1029184821.db2.gz WLLQHQJIXMSCCS-GUYCJALGSA-N 1 0 367.421 2.529 20 5 FFBDRO CS(=O)(=O)N(c1cccc(C[NH3+])c1)c1nccc2ccc([N+](=O)[O-])cc21 ZINC001156489287 1029214412 /nfs/dbraw/zinc/21/44/12/1029214412.db2.gz JLVSPIVYALOADU-UHFFFAOYSA-N 1 0 372.406 2.699 20 5 FFBDRO COc1nc(C)c([N+](=O)[O-])c(NC[C@@H](c2ccccc2)[NH+]2CCCC2)n1 ZINC001156529871 1029233861 /nfs/dbraw/zinc/23/38/61/1029233861.db2.gz HIWXKOURVBATMP-HNNXBMFYSA-N 1 0 357.414 2.951 20 5 FFBDRO [NH3+]CC1(N(Cc2ccccc2)c2ncc([N+](=O)[O-])c3ccccc32)COC1 ZINC001156631924 1029278497 /nfs/dbraw/zinc/27/84/97/1029278497.db2.gz HBISYJJBPBTDCD-UHFFFAOYSA-N 1 0 364.405 2.877 20 5 FFBDRO O=C(NCCC1(C[NH2+]CCC2CCCCCC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001164494628 1029296842 /nfs/dbraw/zinc/29/68/42/1029296842.db2.gz PHFKSTDGPDAONW-IAGOWNOFSA-N 1 0 351.491 2.888 20 5 FFBDRO CCC[NH+]1C[C@H]2CN(c3cc([N+](=O)[O-])cc4c(Cl)ncnc43)C[C@@H]2C1 ZINC001157698121 1029647726 /nfs/dbraw/zinc/64/77/26/1029647726.db2.gz CIILRQUKGZDCML-RYUDHWBXSA-N 1 0 361.833 2.969 20 5 FFBDRO [NH3+][C@@H]1CCc2nn(-c3ccc([N+](=O)[O-])c(-c4ccc(F)cc4)n3)cc2C1 ZINC001157987939 1029702343 /nfs/dbraw/zinc/70/23/43/1029702343.db2.gz SXZAGFUSVGYYNF-CQSZACIVSA-N 1 0 353.357 2.798 20 5 FFBDRO CC(C)=CCC/C(C)=C/CNc1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001158259042 1029774530 /nfs/dbraw/zinc/77/45/30/1029774530.db2.gz CJAQKKBQMIPNLJ-VIZOYTHASA-N 1 0 360.462 2.899 20 5 FFBDRO COc1ccnc(N(c2cc([N+](=O)[O-])cc(Cl)n2)C2CC[NH2+]CC2)c1 ZINC001158317093 1029795374 /nfs/dbraw/zinc/79/53/74/1029795374.db2.gz GAUNIQNCZFGKCA-UHFFFAOYSA-N 1 0 363.805 2.937 20 5 FFBDRO O=c1[nH]ccc(N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000695455158 1029890244 /nfs/dbraw/zinc/89/02/44/1029890244.db2.gz MOGFGFGDUZUJFU-JKSUJKDBSA-N 1 0 354.410 2.654 20 5 FFBDRO Cc1nc2c(n1-c1cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n1)CC[NH2+]CC2 ZINC001165354919 1029956227 /nfs/dbraw/zinc/95/62/27/1029956227.db2.gz MTHIQWSOSMFAAN-UHFFFAOYSA-N 1 0 364.409 2.543 20 5 FFBDRO [NH3+]C1([C@@H]2CN(c3nc(Cl)nc4ccc([N+](=O)[O-])cc43)C[C@H]2CF)CC1 ZINC001165428828 1029977536 /nfs/dbraw/zinc/97/75/36/1029977536.db2.gz HBGRCVLPTSDAKV-BXKDBHETSA-N 1 0 365.796 2.705 20 5 FFBDRO Cc1ccc(-c2ccc(N3C[C@H](CF)[C@@H](C4([NH3+])CC4)C3)nn2)cc1[N+](=O)[O-] ZINC001165430760 1029978138 /nfs/dbraw/zinc/97/81/38/1029978138.db2.gz CBFOOHVGQYJPBT-GJZGRUSLSA-N 1 0 371.416 2.873 20 5 FFBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC001142221309 1030181126 /nfs/dbraw/zinc/18/11/26/1030181126.db2.gz AFWKWANNAOEVMQ-ZIAGYGMSSA-N 1 0 351.422 2.903 20 5 FFBDRO Cc1c(CO)cc([N+](=O)[O-])c(NCC[C@H](C)[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000784255125 1030537240 /nfs/dbraw/zinc/53/72/40/1030537240.db2.gz PJANZGWUQIFLGW-LBPRGKRZSA-N 1 0 366.418 2.980 20 5 FFBDRO N=c1sc2c(n1-c1nc3ccccc3c(Cl)c1[N+](=O)[O-])CC[NH2+]C2 ZINC001166859898 1030553881 /nfs/dbraw/zinc/55/38/81/1030553881.db2.gz CUEVADXFECPTRU-UHFFFAOYSA-N 1 0 361.814 2.774 20 5 FFBDRO [NH3+]CCN(Cc1ccc(Cl)cc1Cl)c1cc([N+](=O)[O-])cc[n+]1[O-] ZINC001166907779 1030569790 /nfs/dbraw/zinc/56/97/90/1030569790.db2.gz HJUSKETYIRDEKF-UHFFFAOYSA-N 1 0 357.197 2.500 20 5 FFBDRO C/C(=C\C(=O)N1CCN(c2cc[nH+]cc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000784593533 1030704269 /nfs/dbraw/zinc/70/42/69/1030704269.db2.gz FPZXXFDUNRNDSD-CCEZHUSRSA-N 1 0 352.394 2.742 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2ncn(C[N@@H+]3CCC[C@H]3[C@@H]3CCCOC3)n2)c1 ZINC000842616429 1030826521 /nfs/dbraw/zinc/82/65/21/1030826521.db2.gz ORMKIKGISRKJBW-WBVHZDCISA-N 1 0 357.414 2.702 20 5 FFBDRO C[N@H+](Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1)C[C@@](C)(O)c1ccccc1 ZINC000842626299 1030844493 /nfs/dbraw/zinc/84/44/93/1030844493.db2.gz OCSJZNHNBKPKBC-LJQANCHMSA-N 1 0 367.409 2.650 20 5 FFBDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1OC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000797341831 1031076632 /nfs/dbraw/zinc/07/66/32/1031076632.db2.gz GZLIXSVRFRGIHP-KRWDZBQOSA-N 1 0 372.425 2.635 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000797520848 1031143600 /nfs/dbraw/zinc/14/36/00/1031143600.db2.gz PXHNGSNYJZKKAI-OAHLLOKOSA-N 1 0 365.430 2.996 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1CN1CCCN(c2ncccc2F)CC1 ZINC000797520870 1031144765 /nfs/dbraw/zinc/14/47/65/1031144765.db2.gz NWJVMKDUGSMYOH-UHFFFAOYSA-N 1 0 360.389 2.850 20 5 FFBDRO CC[NH+](CC)[C@@H](CNC(=O)c1cc([N+](=O)[O-])cn1C)c1cccc(OC)c1 ZINC000797552452 1031150614 /nfs/dbraw/zinc/15/06/14/1031150614.db2.gz CMBRPMQOLGWSGK-SFHVURJKSA-N 1 0 374.441 2.755 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@H](O)c2cccc(C(F)(F)F)c2)c1 ZINC000843073052 1031171913 /nfs/dbraw/zinc/17/19/13/1031171913.db2.gz MOOCIRHVROVIQT-JKSUJKDBSA-N 1 0 370.327 2.970 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(Cc2noc(C[C@@H](C)C3CC[NH2+]CC3)n2)c1 ZINC000843223236 1031255977 /nfs/dbraw/zinc/25/59/77/1031255977.db2.gz MYNBAENPQFDEPZ-GFCCVEGCSA-N 1 0 360.414 2.755 20 5 FFBDRO CCOC(=O)CC[C@H]1CCC[N@H+](Cc2ccc(O)c(OC)c2[N+](=O)[O-])C1 ZINC001204640315 1031397091 /nfs/dbraw/zinc/39/70/91/1031397091.db2.gz HORXICALXPDIKY-CYBMUJFWSA-N 1 0 366.414 2.864 20 5 FFBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[NH2+]C[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000843498906 1031430875 /nfs/dbraw/zinc/43/08/75/1031430875.db2.gz VUMQCVYMZSLAGQ-QGZVFWFLSA-N 1 0 370.365 2.598 20 5 FFBDRO Cc1nn(Cc2ccc(C(=O)NCCCCCC[NH3+])cc2)c(C)c1[N+](=O)[O-] ZINC000843510494 1031435681 /nfs/dbraw/zinc/43/56/81/1031435681.db2.gz RWFWEBYWXCVUAB-UHFFFAOYSA-N 1 0 373.457 2.705 20 5 FFBDRO C[NH+]1C[C@]2(C)CN(C(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)C[C@@]2(C)C1 ZINC001149672986 1031568319 /nfs/dbraw/zinc/56/83/19/1031568319.db2.gz XROOWXMAKSWTQB-RTBURBONSA-N 1 0 363.433 2.812 20 5 FFBDRO COc1cc(CO[C@@H]2[C@@H]3CCC[C@H]2C[N@@H+](C)C3)c([N+](=O)[O-])cc1OC ZINC001223907637 1033639579 /nfs/dbraw/zinc/63/95/79/1033639579.db2.gz ULAMXUKDXLRTFV-IVWMJMPLSA-N 1 0 350.415 2.859 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1CO[C@H]1CC[C@@H]([NH+]2CCOCC2)CC1 ZINC001223945332 1033653735 /nfs/dbraw/zinc/65/37/35/1033653735.db2.gz DUYQVFMFGRPKCC-WOVMCDHWSA-N 1 0 350.415 2.763 20 5 FFBDRO COc1ccc(NC(=O)N2CCN(c3cc[nH+]cc3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC001219572451 1033695985 /nfs/dbraw/zinc/69/59/85/1033695985.db2.gz PETKYLRFCUNOGC-CYBMUJFWSA-N 1 0 371.397 2.741 20 5 FFBDRO NC(=O)CC[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@@H]1CCOc2ccccc21 ZINC000831896728 1034389904 /nfs/dbraw/zinc/38/99/04/1034389904.db2.gz WMLKJEOQMCXYEE-MRXNPFEDSA-N 1 0 373.384 2.935 20 5 FFBDRO CC(=O)O[C@@H]1C[C@@H]2C[C@H](Oc3cccc([N+](=O)[O-])c3Cl)C[C@H]1[N@@H+]2C ZINC001225788184 1034406434 /nfs/dbraw/zinc/40/64/34/1034406434.db2.gz KJFALQNLMSIGJX-HTTKSJEASA-N 1 0 354.790 2.794 20 5 FFBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cc(O)cc(/C=C/c2ccc(O)cc2)c1 ZINC001225793453 1034407974 /nfs/dbraw/zinc/40/79/74/1034407974.db2.gz RNTHIKWBGXZJCV-VZSQWMKGSA-O 1 0 372.441 2.631 20 5 FFBDRO NC(=O)c1cc([N+](=O)[O-])ccc1OC1CC[NH+](CCc2ccccc2)CC1 ZINC001226172881 1034558567 /nfs/dbraw/zinc/55/85/67/1034558567.db2.gz OITZQLUTCFITNC-UHFFFAOYSA-N 1 0 369.421 2.780 20 5 FFBDRO CC(C)[NH2+]CCCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 ZINC000832607510 1034880688 /nfs/dbraw/zinc/88/06/88/1034880688.db2.gz ZFQMPELRLZVNKL-UHFFFAOYSA-N 1 0 362.474 2.949 20 5 FFBDRO O=c1nc2cc([N+](=O)[O-])ccc2c(OC2CCN(c3cc[nH+]cc3)CC2)[n-]1 ZINC001228241646 1036009792 /nfs/dbraw/zinc/00/97/92/1036009792.db2.gz DEFVTYKMJQMYOJ-UHFFFAOYSA-N 1 0 367.365 2.686 20 5 FFBDRO CC(C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])C2 ZINC001228660608 1036239040 /nfs/dbraw/zinc/23/90/40/1036239040.db2.gz HZRHFUUCQDEXLF-WDNDVIMCSA-N 1 0 368.455 2.781 20 5 FFBDRO O=c1[nH]nc(O[C@@H]2CC[N@H+](Cc3ccccc3)C2)c2cc([N+](=O)[O-])ccc12 ZINC001229362228 1036630845 /nfs/dbraw/zinc/63/08/45/1036630845.db2.gz RZMPDGZCSNYVQM-OAHLLOKOSA-N 1 0 366.377 2.897 20 5 FFBDRO C[C@H](c1ccc(O)cc1)c1ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)cc1 ZINC001229578547 1036755223 /nfs/dbraw/zinc/75/52/23/1036755223.db2.gz KUUXHMHYGYERMV-DNVCBOLYSA-O 1 0 358.458 2.907 20 5 FFBDRO C[C@@H](C[N+](C)(C)C)Oc1cccc(I)c1[N+](=O)[O-] ZINC001229660876 1036812384 /nfs/dbraw/zinc/81/23/84/1036812384.db2.gz QBDAKOFRTVBAGD-VIFPVBQESA-N 1 0 365.191 2.673 20 5 FFBDRO O=[N+]([O-])c1cc(Br)cc(O)c1O[C@H]1CCc2nccn2C1 ZINC001234878457 1037220259 /nfs/dbraw/zinc/22/02/59/1037220259.db2.gz VODOGDPKDSLHPL-VIFPVBQESA-N 1 0 354.160 2.653 20 5 FFBDRO COc1cc(N2CCC([NH2+][C@H]3CC[C@@](C)(O)CC3)CC2)ccc1[N+](=O)[O-] ZINC001256084328 1038368499 /nfs/dbraw/zinc/36/84/99/1038368499.db2.gz ZPYWPFQAACAECH-DHFPXDALSA-N 1 0 363.458 2.855 20 5 FFBDRO COc1cc(N2CCC([NH2+]CCCC(C)(C)CO)CC2)ccc1[N+](=O)[O-] ZINC001256085834 1038370156 /nfs/dbraw/zinc/37/01/56/1038370156.db2.gz RVQKZBAQARHKTM-UHFFFAOYSA-N 1 0 365.474 2.961 20 5 FFBDRO COc1cc(N2CCC([N@@H+]3CC[C@](C)(O)[C@H](C)C3)CC2)ccc1[N+](=O)[O-] ZINC001256093512 1038378975 /nfs/dbraw/zinc/37/89/75/1038378975.db2.gz MWWYEWBFBSKCOM-KUHUBIRLSA-N 1 0 363.458 2.665 20 5 FFBDRO Cc1cc(F)c([N+](=O)[O-])cc1-c1nnc(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC001258154636 1039233876 /nfs/dbraw/zinc/23/38/76/1039233876.db2.gz XFKNPCMMFODJER-TXEJJXNPSA-N 1 0 364.377 2.744 20 5 FFBDRO Cc1cc(-c2nnc(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)o2)cc([N+](=O)[O-])c1C ZINC001258161743 1039241672 /nfs/dbraw/zinc/24/16/72/1039241672.db2.gz LYJUMGPQUMECHK-BETUJISGSA-N 1 0 360.414 2.913 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@@H]3Cc4ccccc4CN3)CC2)cc1 ZINC001246276973 1039294223 /nfs/dbraw/zinc/29/42/23/1039294223.db2.gz GPGMGKDPETWAMS-IBGZPJMESA-N 1 0 366.465 2.868 20 5 FFBDRO C[NH+]1CCN(c2ccc3[nH]c(-c4ncc(Cl)cc4[N+](=O)[O-])nc3c2)CC1 ZINC001251787402 1039299970 /nfs/dbraw/zinc/29/99/70/1039299970.db2.gz IBYIXXVPPCAKAP-UHFFFAOYSA-N 1 0 372.816 2.938 20 5 FFBDRO COc1ncc(Nc2ccc(F)cc2OCC[NH+](C)C)cc1[N+](=O)[O-] ZINC001210140056 1039402553 /nfs/dbraw/zinc/40/25/53/1039402553.db2.gz KFMSTYJMUFTZPK-UHFFFAOYSA-N 1 0 350.350 2.822 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CCC[C@@]3(CC[NH2+]C3)C2)c1F ZINC001246626660 1039420480 /nfs/dbraw/zinc/42/04/80/1039420480.db2.gz HGPSFURMHCPGSW-UGSOOPFHSA-N 1 0 351.422 2.749 20 5 FFBDRO C[NH+](C)CC[C@H](NC(=O)NCCc1ccccc1[N+](=O)[O-])c1cccnc1 ZINC001248186339 1040164372 /nfs/dbraw/zinc/16/43/72/1040164372.db2.gz ZPKAQZZCLNEBRY-KRWDZBQOSA-N 1 0 371.441 2.525 20 5 FFBDRO Cc1cc(S(=O)(=O)N(C)CCCC[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC001213519276 1040633976 /nfs/dbraw/zinc/63/39/76/1040633976.db2.gz DMHUXQJVIVVZGU-UHFFFAOYSA-N 1 0 369.487 2.790 20 5 FFBDRO Cn1ncc2ccc(-c3noc(C[C@@H]([NH3+])c4ccc([N+](=O)[O-])cc4)n3)cc21 ZINC001249343395 1040691824 /nfs/dbraw/zinc/69/18/24/1040691824.db2.gz ZCHXBWQUKUHLNR-OAHLLOKOSA-N 1 0 364.365 2.774 20 5 FFBDRO O=C(NCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CCCCC1 ZINC001254468125 1040735869 /nfs/dbraw/zinc/73/58/69/1040735869.db2.gz HSYCUHDNWMHIEY-UHFFFAOYSA-N 1 0 374.485 2.850 20 5 FFBDRO O=C1NCc2ccc(C[NH2+]C3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc21 ZINC001254469006 1040735993 /nfs/dbraw/zinc/73/59/93/1040735993.db2.gz STNVPVVEEJONKW-UHFFFAOYSA-N 1 0 366.421 2.597 20 5 FFBDRO O=C(NC1CC[NH+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1)C1CC1 ZINC001254478367 1040744164 /nfs/dbraw/zinc/74/41/64/1040744164.db2.gz AFWIHIPFPDMZFD-UHFFFAOYSA-N 1 0 372.469 2.554 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH+]3CC(N4CCC(F)CC4)C3)CC2)cc1 ZINC001254479726 1040744514 /nfs/dbraw/zinc/74/45/14/1040744514.db2.gz JJNZMXCKKSFLLA-UHFFFAOYSA-N 1 0 362.449 2.682 20 5 FFBDRO N=c1nc([C@@H]2CCC[NH2+]2)ccn1C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254478849 1040744722 /nfs/dbraw/zinc/74/47/22/1040744722.db2.gz LLVLZTHEVLMINJ-KRWDZBQOSA-N 1 0 368.441 2.537 20 5 FFBDRO O=C1CC[C@@]2(CCC[N@@H+](C3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C2)O1 ZINC001254481091 1040746600 /nfs/dbraw/zinc/74/66/00/1040746600.db2.gz RKDXBNUKDREEEK-LJQANCHMSA-N 1 0 359.426 2.735 20 5 FFBDRO COC(=O)CC[C@H]1CC[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254480161 1040748201 /nfs/dbraw/zinc/74/82/01/1040748201.db2.gz WQCOAIDYONJFQR-HNNXBMFYSA-N 1 0 361.442 2.839 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccnc(N2CCCNC2=O)c1 ZINC001254542769 1040789552 /nfs/dbraw/zinc/78/95/52/1040789552.db2.gz ATAKYFYZDRBSDX-AWEZNQCLSA-N 1 0 369.425 2.630 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccnc(OC2CCOCC2)n1 ZINC001254549615 1040792429 /nfs/dbraw/zinc/79/24/29/1040792429.db2.gz UQDBNJHDBMOJGW-CQSZACIVSA-N 1 0 372.425 2.663 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1C[C@@H]2CN(C(=O)c3ccco3)C[C@H]2C1 ZINC001254555572 1040794653 /nfs/dbraw/zinc/79/46/53/1040794653.db2.gz HQWUWMNBOACOIZ-DJIMGWMZSA-N 1 0 369.421 2.823 20 5 FFBDRO C[C@@H]([NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1ccc(S(C)(=O)=O)cc1 ZINC001254566945 1040801884 /nfs/dbraw/zinc/80/18/84/1040801884.db2.gz LIUDOZZGOADTCM-WBMJQRKESA-N 1 0 360.435 2.816 20 5 FFBDRO CC(C)(C)OC(=O)N1C[C@@H]2[C@H]([NH2+][C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)[C@@H]2C1 ZINC001254572323 1040809143 /nfs/dbraw/zinc/80/91/43/1040809143.db2.gz KZLSBKYPECGSIA-MXASKKJJSA-N 1 0 359.426 2.517 20 5 FFBDRO COC(=O)C[C@H]([NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1ccc(O)cc1 ZINC001254580858 1040814191 /nfs/dbraw/zinc/81/41/91/1040814191.db2.gz HKXUFMMWUHZLPB-YJBOKZPZSA-N 1 0 356.378 2.662 20 5 FFBDRO O=C1CCCCN1c1ccc(C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)cn1 ZINC001254585847 1040818235 /nfs/dbraw/zinc/81/82/35/1040818235.db2.gz GYEDRUAJLOQABE-KRWDZBQOSA-N 1 0 366.421 2.764 20 5 FFBDRO COc1ccc2c(c1)OC[C@H](C[NH2+][C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254588667 1040820494 /nfs/dbraw/zinc/82/04/94/1040820494.db2.gz HMIUPPFHWCIZHX-SUMWQHHRSA-N 1 0 354.406 2.912 20 5 FFBDRO CCOCc1ncn2c1C[N@@H+]([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)CCC2 ZINC001254596587 1040825901 /nfs/dbraw/zinc/82/59/01/1040825901.db2.gz PDWJQUGQOMNQHD-QGZVFWFLSA-N 1 0 356.426 2.701 20 5 FFBDRO COc1ccccc1N1CC[NH+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254599312 1040830217 /nfs/dbraw/zinc/83/02/17/1040830217.db2.gz NQTCLRIKFCRGDG-SFHVURJKSA-N 1 0 353.422 2.893 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H](n1ncc3cc(N4CC[NH2+]CC4)ccc31)C2 ZINC001254604018 1040831901 /nfs/dbraw/zinc/83/19/01/1040831901.db2.gz SHJYACOZRVMLTK-LJQANCHMSA-N 1 0 363.421 2.694 20 5 FFBDRO Cc1ccnc(OC2CC[NH+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC2)n1 ZINC001254605705 1040834561 /nfs/dbraw/zinc/83/45/61/1040834561.db2.gz CTKIZBCQUBNFCP-KRWDZBQOSA-N 1 0 354.410 2.704 20 5 FFBDRO COC(=O)[C@@H]1C[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@@H]1c1ccccc1 ZINC001254605365 1040835199 /nfs/dbraw/zinc/83/51/99/1040835199.db2.gz BMOMYFNJIKNFGO-VAMGGRTRSA-N 1 0 366.417 2.951 20 5 FFBDRO Cc1cc(C)nc(N([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C2CC[NH2+]CC2)n1 ZINC001254612358 1040841878 /nfs/dbraw/zinc/84/18/78/1040841878.db2.gz VQNBHBUVWNBOCN-IBGZPJMESA-N 1 0 367.453 2.727 20 5 FFBDRO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC001262094210 1041552622 /nfs/dbraw/zinc/55/26/22/1041552622.db2.gz YYFNXRBJNZHMNB-DZGCQCFKSA-N 1 0 372.347 2.697 20 5 FFBDRO Cn1c2ccccc2c(N2C[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]3C2)c([N+](=O)[O-])c1=O ZINC001262377544 1041665599 /nfs/dbraw/zinc/66/55/99/1041665599.db2.gz YINFRMYTFFISSL-QLFBSQMISA-N 1 0 370.453 2.613 20 5 FFBDRO O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC001310265027 1043659500 /nfs/dbraw/zinc/65/95/00/1043659500.db2.gz ZXARSYAFBUZUIB-TZMCWYRMSA-N 1 0 370.862 2.950 20 5 FFBDRO Nc1ccc(NC(=O)N2CC3(C2)C[NH+](Cc2ccccc2)C3)cc1[N+](=O)[O-] ZINC001310991801 1043776942 /nfs/dbraw/zinc/77/69/42/1043776942.db2.gz FZDQZEXJSRINCU-UHFFFAOYSA-N 1 0 367.409 2.527 20 5 FFBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)NC[C@@H]3CC3(C)C)c2)CC1 ZINC001311243418 1043854976 /nfs/dbraw/zinc/85/49/76/1043854976.db2.gz KOFMMVGYTDYNFM-ZDUSSCGKSA-N 1 0 361.446 2.514 20 5 FFBDRO COC(=O)C1(CCCC[NH2+]Cc2ccc(O)c(OC)c2[N+](=O)[O-])CCC1 ZINC001474738722 1045133150 /nfs/dbraw/zinc/13/31/50/1045133150.db2.gz XYLBWRCFIQMEER-UHFFFAOYSA-N 1 0 366.414 2.912 20 5 FFBDRO Cc1cc(C(=O)NCc2ccccc2N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001318253836 1045253582 /nfs/dbraw/zinc/25/35/82/1045253582.db2.gz KZKIIJVTJYYHTF-UHFFFAOYSA-N 1 0 368.437 2.585 20 5 FFBDRO Cc1nn(CCO)c(C)c1C[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001320886327 1045488270 /nfs/dbraw/zinc/48/82/70/1045488270.db2.gz WBSHQQKEVRPFDW-UHFFFAOYSA-N 1 0 372.347 2.709 20 5 FFBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001321857542 1045841534 /nfs/dbraw/zinc/84/15/34/1045841534.db2.gz BMSRBEXXTLEHBW-UHFFFAOYSA-N 1 0 369.425 2.641 20 5 FFBDRO C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC001324123620 1045878635 /nfs/dbraw/zinc/87/86/35/1045878635.db2.gz CAANRIMCZMBXLR-KGLIPLIRSA-N 1 0 370.247 2.960 20 5 FFBDRO COc1ccc(C[C@H](C)[N@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC001322221608 1046002048 /nfs/dbraw/zinc/00/20/48/1046002048.db2.gz HJAFDULSYLSOLF-YJBOKZPZSA-N 1 0 374.437 2.906 20 5 FFBDRO C[C@H](C[NH+]1CCC(C)CC1)c1nnc(C(C)(C)n2cc([N+](=O)[O-])cn2)o1 ZINC001322296427 1046033991 /nfs/dbraw/zinc/03/39/91/1046033991.db2.gz ZSBCVMAMOXNYSD-CYBMUJFWSA-N 1 0 362.434 2.793 20 5 FFBDRO CC[NH+](CC)C1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CC1 ZINC001324645230 1046144456 /nfs/dbraw/zinc/14/44/56/1046144456.db2.gz OEQKBGGQMPOTGU-UHFFFAOYSA-N 1 0 371.441 2.727 20 5 FFBDRO O=[N+]([O-])c1ccc(C[NH2+]C2(CO)CCSCC2)c(Br)c1 ZINC001324710973 1046181096 /nfs/dbraw/zinc/18/10/96/1046181096.db2.gz RDKIBRBOLCPMDG-UHFFFAOYSA-N 1 0 361.261 2.705 20 5 FFBDRO Cc1c(C(=O)O[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc2c[nH+]cn21 ZINC001325421455 1046503325 /nfs/dbraw/zinc/50/33/25/1046503325.db2.gz FDALFRXAKWBVBL-LBPRGKRZSA-N 1 0 368.349 2.735 20 5 FFBDRO CC[N@@H+]1CCC[C@H](CN[C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C1 ZINC001325874427 1046671084 /nfs/dbraw/zinc/67/10/84/1046671084.db2.gz PSSGMDGXGFYNIE-CRAIPNDOSA-N 1 0 357.458 2.739 20 5 FFBDRO O=C(N1Cc2ccc([N+](=O)[O-])cc2C1)C1(c2ccccc2)CC[NH2+]CC1 ZINC001326338675 1046883871 /nfs/dbraw/zinc/88/38/71/1046883871.db2.gz JBSPZZDQZNZRSA-UHFFFAOYSA-N 1 0 351.406 2.758 20 5 FFBDRO C[NH2+][C@@H](C)CCNC(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC001326370330 1046902993 /nfs/dbraw/zinc/90/29/93/1046902993.db2.gz UGVCERICEMIVHY-ZNMIVQPWSA-N 1 0 362.474 2.805 20 5 FFBDRO COc1cccc2cc(C[NH2+]C[C@H](O)COc3ccccc3[N+](=O)[O-])oc21 ZINC001326600321 1046996097 /nfs/dbraw/zinc/99/60/97/1046996097.db2.gz VPTLOOFTLPLQCX-AWEZNQCLSA-N 1 0 372.377 2.879 20 5 FFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(C[NH2+]CCC2CC2)(c2ccccc2)CC1 ZINC001328127975 1048191539 /nfs/dbraw/zinc/19/15/39/1048191539.db2.gz MMNIWJFWWSLVAV-RTBURBONSA-N 1 0 371.481 2.602 20 5 FFBDRO C[NH2+]C[C@H]1CCCCN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC001332032720 1048219501 /nfs/dbraw/zinc/21/95/01/1048219501.db2.gz OCGDRNHRYZBAEM-MRXNPFEDSA-N 1 0 363.461 2.755 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC001333391580 1048877511 /nfs/dbraw/zinc/87/75/11/1048877511.db2.gz OSIRJRUNMQPUFW-CQSZACIVSA-N 1 0 371.441 2.970 20 5 FFBDRO CC[NH+](CC)C1CCN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC001333390935 1048878628 /nfs/dbraw/zinc/87/86/28/1048878628.db2.gz CGNLJMSVROYFSW-UHFFFAOYSA-N 1 0 359.430 2.951 20 5 FFBDRO CCC1([NH+]2CCC2)CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C)CC1 ZINC001333465109 1048917551 /nfs/dbraw/zinc/91/75/51/1048917551.db2.gz TWUNGPQFTIYOEF-UHFFFAOYSA-N 1 0 367.471 2.542 20 5 FFBDRO CC1(C)[C@@H]2[NH2+]CCC[C@@H]2[C@@H]1NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC001330916936 1049391053 /nfs/dbraw/zinc/39/10/53/1049391053.db2.gz ILFASFLDDPEAIU-JQAFLVLXSA-N 1 0 369.824 2.823 20 5 FFBDRO COc1cc(CN2CC(CC3CCOCC3)C2)c([N+](=O)[O-])cc1OC ZINC001334382770 1049401314 /nfs/dbraw/zinc/40/13/14/1049401314.db2.gz BBAPDBVPKOAKKD-UHFFFAOYSA-N 1 0 350.415 2.861 20 5 FFBDRO CC(C)[C@H](C(=O)NCc1ccc(Br)cc1[N+](=O)[O-])[C@@H](C)[NH3+] ZINC001330961486 1049412689 /nfs/dbraw/zinc/41/26/89/1049412689.db2.gz RVQRXWQLSLGHMP-RNCFNFMXSA-N 1 0 358.236 2.593 20 5 FFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@]3(O)CCC[C@@H](C(F)(F)F)C3)C2)c1 ZINC001331075885 1049462936 /nfs/dbraw/zinc/46/29/36/1049462936.db2.gz YIRVAMILBCZIQX-NPZBDFSRSA-N 1 0 362.352 2.568 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC([C@@H]2C(=O)Nc3ccccc32)CC1 ZINC001331096761 1049469818 /nfs/dbraw/zinc/46/98/18/1049469818.db2.gz BKJAQVNYJQKZKO-SFHVURJKSA-N 1 0 369.425 2.548 20 5 FFBDRO CC(C)c1nnc(N(C)CCc2cccc([N+](=O)[O-])c2)n1C[C@H](C)[NH+](C)C ZINC001541329572 1071076765 /nfs/dbraw/zinc/07/67/65/1071076765.db2.gz RIOXNKUWOKPGHF-HNNXBMFYSA-N 1 0 374.489 2.939 20 5 FFBDRO C[NH+](C)[C@H](CNC(=O)c1[nH]nc([N+](=O)[O-])c1Cl)c1ccc(Cl)cc1 ZINC001294243577 1049718632 /nfs/dbraw/zinc/71/86/32/1049718632.db2.gz JSQPULCULOUEQM-SNVBAGLBSA-N 1 0 372.212 2.657 20 5 FFBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)C1 ZINC001295041978 1049869156 /nfs/dbraw/zinc/86/91/56/1049869156.db2.gz UOPXWWABZDBXJG-JTQLQIEISA-N 1 0 372.828 2.677 20 5 FFBDRO O=C(N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1c(F)cccc1[N+](=O)[O-] ZINC001341572564 1050199506 /nfs/dbraw/zinc/19/95/06/1050199506.db2.gz BKKCLEHAMMNNHC-KUHUBIRLSA-N 1 0 371.368 2.720 20 5 FFBDRO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CC[C@@H]1C[NH3+] ZINC001341874461 1050480052 /nfs/dbraw/zinc/48/00/52/1050480052.db2.gz COIRJVQPTUXZHX-LSDHHAIUSA-N 1 0 360.458 2.642 20 5 FFBDRO COC(=O)[C@@H]1CCC[C@H]1[NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC001342050253 1050649241 /nfs/dbraw/zinc/64/92/41/1050649241.db2.gz AEWAVRLBUQAQNM-IRUJWGPZSA-N 1 0 369.805 2.507 20 5 FFBDRO Cc1c(C(=O)N[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cccc1[N+](=O)[O-] ZINC001342231107 1050821673 /nfs/dbraw/zinc/82/16/73/1050821673.db2.gz FSUJWRXXGKKICK-OXJNMPFZSA-N 1 0 367.405 2.889 20 5 FFBDRO C[C@@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC001301485428 1050904552 /nfs/dbraw/zinc/90/45/52/1050904552.db2.gz ZDEXBZVXNIEXJC-WMLDXEAASA-N 1 0 373.457 2.523 20 5 FFBDRO [NH3+]C[C@@H]1Cc2ccccc2N(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC001340797106 1051142577 /nfs/dbraw/zinc/14/25/77/1051142577.db2.gz USQUPEWRUAEBBN-DOPJRALCSA-N 1 0 351.406 2.863 20 5 FFBDRO O=C(Nc1ccc2c(c1)OCC[NH2+]C2)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001340843149 1051181530 /nfs/dbraw/zinc/18/15/30/1051181530.db2.gz JZXXIHOMWQPNJS-SJORKVTESA-N 1 0 353.378 2.819 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)OC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001342591587 1051196746 /nfs/dbraw/zinc/19/67/46/1051196746.db2.gz NHZJHFHYFOQRMC-QGZVFWFLSA-N 1 0 372.425 2.555 20 5 FFBDRO CCn1c([C@@H](C)[N+](=O)[O-])nnc1N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001340876874 1051210076 /nfs/dbraw/zinc/21/00/76/1051210076.db2.gz AXMBHAZAMUBKAE-NVXWUHKLSA-N 1 0 372.473 2.737 20 5 FFBDRO COc1ccc(C(=O)N2CCCc3cc(CC[NH3+])ccc32)cc1[N+](=O)[O-] ZINC001343037586 1051653200 /nfs/dbraw/zinc/65/32/00/1051653200.db2.gz RWESQLPWLUWVIM-UHFFFAOYSA-N 1 0 355.394 2.698 20 5 FFBDRO CCOc1ccccc1[C@@H]([NH3+])CC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001341446655 1051802802 /nfs/dbraw/zinc/80/28/02/1051802802.db2.gz PIWPIDSCIXLUIW-SFHVURJKSA-N 1 0 369.421 2.968 20 5 FFBDRO CC[NH+](CC)CC[C@H](NC(=O)c1cnc(N)c([N+](=O)[O-])c1)c1ccccc1 ZINC001305635640 1051931172 /nfs/dbraw/zinc/93/11/72/1051931172.db2.gz XBYQEPZGEMLXNV-INIZCTEOSA-N 1 0 371.441 2.775 20 5 FFBDRO COc1ccc(NC(=O)NCC2(SC)CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC001345084305 1052247996 /nfs/dbraw/zinc/24/79/96/1052247996.db2.gz KMTCWHITGPARQC-UHFFFAOYSA-N 1 0 368.459 2.552 20 5 FFBDRO COc1ccc(NC(=O)N2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001345094952 1052253371 /nfs/dbraw/zinc/25/33/71/1052253371.db2.gz CSXJPHMHLIBUEC-BFHYXJOUSA-N 1 0 362.430 2.797 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](CC(C)C)C[C@H](O)c1ccc(F)cc1 ZINC001307478773 1052311368 /nfs/dbraw/zinc/31/13/68/1052311368.db2.gz JYNPVLFTWLJGGC-KRWDZBQOSA-N 1 0 364.421 2.930 20 5 FFBDRO O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCCC[C@@]12CCC[NH2+]C2 ZINC001343677325 1052369948 /nfs/dbraw/zinc/36/99/48/1052369948.db2.gz USPDYJGAOURKPP-IBGZPJMESA-N 1 0 369.425 2.529 20 5 FFBDRO C[N@@H+]1CC[C@@H]2CN(Cc3ccc([N+](=O)[O-])cc3Br)C[C@@H]2C1 ZINC001307986922 1052376937 /nfs/dbraw/zinc/37/69/37/1052376937.db2.gz FZTYHDUFXUTGHA-YPMHNXCESA-N 1 0 354.248 2.741 20 5 FFBDRO COC(=O)C(C)(C)C[N@H+](CC(C)C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001308033043 1052388982 /nfs/dbraw/zinc/38/89/82/1052388982.db2.gz NFVMNNUYRQPBRX-MRXNPFEDSA-N 1 0 352.431 2.785 20 5 FFBDRO O=C(CC[NH2+]CC1(C2(O)CCC2)CCC1)Nc1cc([N+](=O)[O-])ccc1F ZINC001308066724 1052398166 /nfs/dbraw/zinc/39/81/66/1052398166.db2.gz VZXSJXROIZMLMK-UHFFFAOYSA-N 1 0 365.405 2.737 20 5 FFBDRO C[C@@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC001308069218 1052398511 /nfs/dbraw/zinc/39/85/11/1052398511.db2.gz CSASXVVYFNEZGZ-PXAZEXFGSA-N 1 0 370.365 2.959 20 5 FFBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1CN1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC001308140007 1052415248 /nfs/dbraw/zinc/41/52/48/1052415248.db2.gz IXTRLTFLSGXLDB-CABCVRRESA-N 1 0 374.268 2.933 20 5 FFBDRO COc1ccc(NC(=O)NC[C@@H]2CC[N@@H+]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC001345747826 1052599539 /nfs/dbraw/zinc/59/95/39/1052599539.db2.gz YXXYFZPPSUMILG-HNNXBMFYSA-N 1 0 370.409 2.999 20 5 FFBDRO COc1ccc(CC[NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)cn1 ZINC001335329745 1053299567 /nfs/dbraw/zinc/29/95/67/1053299567.db2.gz NWICNQIMJJFABW-ZDUSSCGKSA-N 1 0 358.398 2.548 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)C[C@@H]2C1 ZINC001335343932 1053306933 /nfs/dbraw/zinc/30/69/33/1053306933.db2.gz ZNKBAKDYBCRNDA-MELADBBJSA-N 1 0 356.426 2.878 20 5 FFBDRO Cn1c(CCC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)nc2ccccc21 ZINC001335439196 1053363486 /nfs/dbraw/zinc/36/34/86/1053363486.db2.gz BSTVKSIZZDSCSJ-GOSISDBHSA-N 1 0 354.410 2.737 20 5 FFBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1ccc(C[NH+](C)C)nc1 ZINC001543187198 1071407584 /nfs/dbraw/zinc/40/75/84/1071407584.db2.gz SFXPHNIGYFNCBB-UHFFFAOYSA-N 1 0 362.817 2.977 20 5 FFBDRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001543376033 1071462752 /nfs/dbraw/zinc/46/27/52/1071462752.db2.gz UUIQXGAIDAWVLE-YSIASYRMSA-N 1 0 367.449 2.987 20 5 FFBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)c3ccoc3Cl)c2)CC1 ZINC001337703872 1054957655 /nfs/dbraw/zinc/95/76/55/1054957655.db2.gz NIFFZPHBCCMFNX-UHFFFAOYSA-N 1 0 364.789 2.845 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)CCOc3ccccc3[N+](=O)[O-])C[C@H]2C1 ZINC001337907106 1055094458 /nfs/dbraw/zinc/09/44/58/1055094458.db2.gz KJZFSGYARXTGCC-ARFHVFGLSA-N 1 0 361.442 2.552 20 5 FFBDRO O=[N+]([O-])c1ccc(NCCCc2nc([C@H]3C[NH+]4CCC3CC4)no2)cc1 ZINC001337930158 1055110232 /nfs/dbraw/zinc/11/02/32/1055110232.db2.gz UDHYSZQVODBDOZ-INIZCTEOSA-N 1 0 357.414 2.832 20 5 FFBDRO Cn1c(-c2ccc([N+](=O)[O-])s2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001338074248 1055210386 /nfs/dbraw/zinc/21/03/86/1055210386.db2.gz YQBVMMHSMGLVEI-LBPRGKRZSA-N 1 0 362.459 2.516 20 5 FFBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000847253514 1055320798 /nfs/dbraw/zinc/32/07/98/1055320798.db2.gz GUJLENLJUISXIK-KBPBESRZSA-N 1 0 362.386 2.558 20 5 FFBDRO Cc1cc(-c2nnc(N3CCC[C@H]([NH+]4CCCC4)C3)n2C)cc([N+](=O)[O-])c1 ZINC001338392130 1055471531 /nfs/dbraw/zinc/47/15/31/1055471531.db2.gz IMWAMHORROMPBE-INIZCTEOSA-N 1 0 370.457 2.763 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@](O)(c2ccccc2)C(F)(F)F)cc1 ZINC001356586689 1055597874 /nfs/dbraw/zinc/59/78/74/1055597874.db2.gz VWPZGMIANISAOH-HOTGVXAUSA-N 1 0 370.327 2.668 20 5 FFBDRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3ccc([N+](=O)[O-])s3)n2C)C1 ZINC001338716773 1055755131 /nfs/dbraw/zinc/75/51/31/1055755131.db2.gz BCNJBENWZIGFEE-LBPRGKRZSA-N 1 0 364.475 2.620 20 5 FFBDRO Cn1ccnc1[C@H]1CCC[N@H+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC001473432320 1056384055 /nfs/dbraw/zinc/38/40/55/1056384055.db2.gz IZPKNQAPOHPLPU-ZDUSSCGKSA-N 1 0 368.397 2.758 20 5 FFBDRO CCOC(=O)c1ccnc(NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000609964627 1056426035 /nfs/dbraw/zinc/42/60/35/1056426035.db2.gz NPRGKIPQAVNNJE-ZIAGYGMSSA-N 1 0 364.446 2.946 20 5 FFBDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC001544800939 1071694197 /nfs/dbraw/zinc/69/41/97/1071694197.db2.gz NWGITZHFLSMTDI-MRXNPFEDSA-N 1 0 351.422 2.999 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)CSc3ccccc3[N+](=O)[O-])C[C@H]2C1 ZINC001518467514 1058391178 /nfs/dbraw/zinc/39/11/78/1058391178.db2.gz KAKYSSGWFIDNKN-RRFJBIMHSA-N 1 0 363.483 2.876 20 5 FFBDRO C[C@@H](COC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000847964108 1058532502 /nfs/dbraw/zinc/53/25/02/1058532502.db2.gz XERZYSDILGIIBT-ZDUSSCGKSA-N 1 0 365.386 2.853 20 5 FFBDRO CCC(CC)Nc1cc[nH+]cc1NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000848108198 1059009485 /nfs/dbraw/zinc/00/94/85/1059009485.db2.gz FRELOUFDVGEZHT-KRWDZBQOSA-N 1 0 358.398 2.684 20 5 FFBDRO Cc1n[nH]c(C(=O)N[C@H]2c3ccccc3CC[C@@H]2[NH+]2CCCC2)c1[N+](=O)[O-] ZINC001452104438 1059183929 /nfs/dbraw/zinc/18/39/29/1059183929.db2.gz DZVHPLVCAXRZNR-HOTGVXAUSA-N 1 0 369.425 2.508 20 5 FFBDRO CC1([C@H]2CCC[N@H+](Cn3cc(-c4ccccc4[N+](=O)[O-])cn3)C2)OCCO1 ZINC000848484455 1060129642 /nfs/dbraw/zinc/12/96/42/1060129642.db2.gz LGJMKVSUQZSCTM-INIZCTEOSA-N 1 0 372.425 2.891 20 5 FFBDRO CC(C)(C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])[C@H]1COCC12OCCO2 ZINC000848552818 1060267797 /nfs/dbraw/zinc/26/77/97/1060267797.db2.gz NYHWQQDVPBUUCB-DOTOQJQBSA-N 1 0 362.426 2.587 20 5 FFBDRO COc1cc(C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C(C)C)ccc1[N+](=O)[O-] ZINC001457084928 1060270391 /nfs/dbraw/zinc/27/03/91/1060270391.db2.gz FRSFPADBBFLJDN-DOTOQJQBSA-N 1 0 361.442 2.938 20 5 FFBDRO COC(=O)Cc1ccccc1C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000848573632 1060297821 /nfs/dbraw/zinc/29/78/21/1060297821.db2.gz WYXUTTHGCVNUDZ-IRXDYDNUSA-N 1 0 372.425 2.780 20 5 FFBDRO CC(C)Oc1nc(NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)ccc1[N+](=O)[O-] ZINC001458084310 1060509397 /nfs/dbraw/zinc/50/93/97/1060509397.db2.gz DKIQJUYSPTYANN-ZIAGYGMSSA-N 1 0 352.435 2.688 20 5 FFBDRO CN(C)CC[N@H+](C)CCCNc1c(Br)cccc1[N+](=O)[O-] ZINC001458418245 1060585342 /nfs/dbraw/zinc/58/53/42/1060585342.db2.gz YJFWZMHJHIUCLN-UHFFFAOYSA-N 1 0 359.268 2.653 20 5 FFBDRO C[C@H]1[C@@H](Nc2c3ccc(Br)cc3ncc2[N+](=O)[O-])CC[N@@H+]1C ZINC001458615563 1060634629 /nfs/dbraw/zinc/63/46/29/1060634629.db2.gz RWBAJUOLWPVNOH-CABZTGNLSA-N 1 0 365.231 2.832 20 5 FFBDRO O=C(NC[C@@H]1[NH2+]CCc2ccccc21)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001521540949 1060949793 /nfs/dbraw/zinc/94/97/93/1060949793.db2.gz OEQYXNJAIWSOPD-QRVBRYPASA-N 1 0 351.406 2.702 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC[C@H](C)[NH+]2CCC(C)CC2)c1 ZINC001462935805 1061853988 /nfs/dbraw/zinc/85/39/88/1061853988.db2.gz JOWNRZOIYYPQHN-AWEZNQCLSA-N 1 0 369.487 2.610 20 5 FFBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)[C@H]3[C@@H]4CCCC[C@@H]43)c2)CC1 ZINC001463058723 1061916737 /nfs/dbraw/zinc/91/67/37/1061916737.db2.gz RVZJYVLIMHLKAL-HWWDLCQESA-N 1 0 358.442 2.721 20 5 FFBDRO C[C@H]1CC[N@H+](CCNC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC001479476664 1062454059 /nfs/dbraw/zinc/45/40/59/1062454059.db2.gz NAPCDZOZGWIFTF-RDJZCZTQSA-N 1 0 360.458 2.826 20 5 FFBDRO CC[NH+](CC)CCOc1ccc(NC(=O)c2cnc(N)c([N+](=O)[O-])c2)cc1 ZINC001464205478 1062482492 /nfs/dbraw/zinc/48/24/92/1062482492.db2.gz LEGSYEZBQIETCZ-UHFFFAOYSA-N 1 0 373.413 2.545 20 5 FFBDRO O=C(N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1csc([N+](=O)[O-])c1 ZINC001523539080 1062512517 /nfs/dbraw/zinc/51/25/17/1062512517.db2.gz YMGJHLJSKDZJKK-GUYCJALGSA-N 1 0 359.407 2.642 20 5 FFBDRO CC[C@H]1C[N@H+](CC)CCN1C(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001532594692 1063126815 /nfs/dbraw/zinc/12/68/15/1063126815.db2.gz SRZSRZKHOCKOMC-AWEZNQCLSA-N 1 0 356.426 2.887 20 5 FFBDRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001440676289 1063335025 /nfs/dbraw/zinc/33/50/25/1063335025.db2.gz MTTGWDCQYAYHCJ-SECBINFHSA-N 1 0 369.834 2.600 20 5 FFBDRO COCC[N@H+](C)CCCNC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C ZINC001466685103 1063521971 /nfs/dbraw/zinc/52/19/71/1063521971.db2.gz ZKIRUIMKZAPANT-UHFFFAOYSA-N 1 0 358.826 2.646 20 5 FFBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)N[C@@]3(C)CC3(C)C)c2)CC1 ZINC001467372996 1063726098 /nfs/dbraw/zinc/72/60/98/1063726098.db2.gz XPUORHGQJGCHLE-SFHVURJKSA-N 1 0 361.446 2.657 20 5 FFBDRO O=C(NC/C=C/C[NH2+]Cc1c(Cl)oc2ccccc21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001497582502 1063728717 /nfs/dbraw/zinc/72/87/17/1063728717.db2.gz DVYRFOAMJSCBIG-YTRGCGJWSA-N 1 0 363.801 2.513 20 5 FFBDRO Nc1c(Cl)cc(C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)cc1[N+](=O)[O-] ZINC001467805778 1063858471 /nfs/dbraw/zinc/85/84/71/1063858471.db2.gz RLIPGOSYKDVCSW-LBPRGKRZSA-N 1 0 352.822 2.577 20 5 FFBDRO C[N@@H+]1C[C@@H](NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C(C)(C)C1 ZINC001472025489 1064896729 /nfs/dbraw/zinc/89/67/29/1064896729.db2.gz CCPOCWIPACFORG-CQSZACIVSA-N 1 0 360.439 2.788 20 5 FFBDRO CCOC(=O)c1ccnc(N[C@H](CC[NH+](C)C)c2cccnc2)c1[N+](=O)[O-] ZINC001472881857 1065166739 /nfs/dbraw/zinc/16/67/39/1065166739.db2.gz BFNINZBDQSAGIY-OAHLLOKOSA-N 1 0 373.413 2.666 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H](c2cncn2C(C)(C)C)C1 ZINC001473896399 1065411069 /nfs/dbraw/zinc/41/10/69/1065411069.db2.gz CLRUBLVNMLXSDX-HNNXBMFYSA-N 1 0 360.462 2.931 20 5 FFBDRO CCOC(=O)[C@]1(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CCCOC1 ZINC001474652879 1065571984 /nfs/dbraw/zinc/57/19/84/1065571984.db2.gz VIIJQHKRXZGZHZ-INIZCTEOSA-N 1 0 356.806 2.698 20 5 FFBDRO CC1=C(C)CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H](C)C[NH3+])CC1 ZINC001576556517 1078243582 /nfs/dbraw/zinc/24/35/82/1078243582.db2.gz RUNXTYKFIWNOMK-CYBMUJFWSA-N 1 0 370.457 2.995 20 5 FFBDRO C[NH2+][C@@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2[C@@H]2C[C@@H]2C)C1 ZINC001578596915 1078497696 /nfs/dbraw/zinc/49/76/96/1078497696.db2.gz SJVATQVDJCFDQP-JGGQBBKZSA-N 1 0 356.430 2.622 20 5 FFBDRO COc1cc(CN(C)C2(C[NH3+])CCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC001579150939 1078576550 /nfs/dbraw/zinc/57/65/50/1078576550.db2.gz XSBPGTQFKHTUHB-UHFFFAOYSA-N 1 0 359.373 2.561 20 5 FFBDRO CSCC1CCC(NC(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)CC1 ZINC001579370625 1078622144 /nfs/dbraw/zinc/62/21/44/1078622144.db2.gz PAWXBTBBZHGHEN-MKTAYPAQSA-N 1 0 351.472 2.807 20 5 FFBDRO Cc1ccc(C(C)(C)CNC(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)nc1 ZINC001579664489 1078658447 /nfs/dbraw/zinc/65/84/47/1078658447.db2.gz PQJJWFZJJSSIBE-IBGZPJMESA-N 1 0 356.426 2.566 20 5 FFBDRO Cc1ccc(C(C)(C)CNC(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)nc1 ZINC001579664491 1078658745 /nfs/dbraw/zinc/65/87/45/1078658745.db2.gz PQJJWFZJJSSIBE-LJQANCHMSA-N 1 0 356.426 2.566 20 5 FFBDRO [NH3+][C@@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC[C@@H]1C(F)(F)F ZINC001580206500 1078766125 /nfs/dbraw/zinc/76/61/25/1078766125.db2.gz CHYHORZYTIKWSJ-WDEREUQCSA-N 1 0 357.288 2.693 20 5 FFBDRO [NH3+]C[C@@H](C(=O)Nc1ccc2cc([N+](=O)[O-])ccc2n1)c1ccc(F)cc1 ZINC001580216404 1078767217 /nfs/dbraw/zinc/76/72/17/1078767217.db2.gz YRGXFOYROGLYIL-OAHLLOKOSA-N 1 0 354.341 2.963 20 5 FFBDRO [NH3+]CCN(CC(F)(F)F)C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001580305632 1078784027 /nfs/dbraw/zinc/78/40/27/1078784027.db2.gz HMMYEKMYXKWDJL-UHFFFAOYSA-N 1 0 359.226 2.577 20 5 FFBDRO O=C(NC[C@]12CCC[C@H]1[NH2+]CC2)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001580708458 1078849589 /nfs/dbraw/zinc/84/95/89/1078849589.db2.gz QUUSVVNFIKJXBX-CRAIPNDOSA-N 1 0 372.450 2.980 20 5 FFBDRO C[NH+](C)[C@H]1C[C@@H](NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1(C)C ZINC001557155586 1075816161 /nfs/dbraw/zinc/81/61/61/1075816161.db2.gz OVUJEZIUJVDFRE-CABCVRRESA-N 1 0 369.849 2.862 20 5 FFBDRO C[NH+](C)[C@@H]1C[C@@H](NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1(C)C ZINC001557155788 1075816259 /nfs/dbraw/zinc/81/62/59/1075816259.db2.gz OVUJEZIUJVDFRE-HUUCEWRRSA-N 1 0 369.849 2.862 20 5 FFBDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC001557487224 1075854497 /nfs/dbraw/zinc/85/44/97/1075854497.db2.gz MQMJPPYKRDADEF-CQSZACIVSA-N 1 0 351.422 2.903 20 5 FFBDRO CCC[N@@H+]1CCCC[C@@H]1C(=O)NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001558316374 1075978767 /nfs/dbraw/zinc/97/87/67/1075978767.db2.gz XFAXTOXKZQSKQB-QGZVFWFLSA-N 1 0 373.457 2.784 20 5 FFBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC(C)([NH+]2CCCC2)CC1 ZINC001560048359 1076217204 /nfs/dbraw/zinc/21/72/04/1076217204.db2.gz MVZFADDKOPVVSF-OAHLLOKOSA-N 1 0 360.458 2.872 20 5 FFBDRO C[N@@H+]1CC[C@@H]2CN(Cc3ccc([N+](=O)[O-])cc3Br)CC[C@@H]21 ZINC001560077492 1076222806 /nfs/dbraw/zinc/22/28/06/1076222806.db2.gz ODUGDNFBXCDJTP-DOMZBBRYSA-N 1 0 354.248 2.883 20 5 FFBDRO Cc1noc(CN2C[C@H]3C[N@H+](Cc4ccccc4)C[C@@]3(C)C2)c1[N+](=O)[O-] ZINC001560126965 1076231743 /nfs/dbraw/zinc/23/17/43/1076231743.db2.gz VAFQUAXBZNUJJC-APWZRJJASA-N 1 0 356.426 2.845 20 5 FFBDRO Cc1cccc(CN2CCO[C@H](C[NH2+]Cc3cccc([N+](=O)[O-])c3)C2)c1 ZINC001560561633 1076280047 /nfs/dbraw/zinc/28/00/47/1076280047.db2.gz UTJVEBVIVKIOEX-HXUWFJFHSA-N 1 0 355.438 2.894 20 5 FFBDRO CCOc1cc(N2CC[NH+](C[C@@](C)(OC)C3CC3)CC2)ccc1[N+](=O)[O-] ZINC001560801694 1076301007 /nfs/dbraw/zinc/30/10/07/1076301007.db2.gz WPSISVJEAHVRHS-LJQANCHMSA-N 1 0 363.458 2.931 20 5 FFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]C[C@H]1CCCCN1CCO ZINC001560841076 1076303292 /nfs/dbraw/zinc/30/32/92/1076303292.db2.gz IHSRIFZVUXUXHX-CQSZACIVSA-N 1 0 361.364 2.550 20 5 FFBDRO CC[NH+](CC)C[C@@H](C)NS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1C ZINC001561474435 1076381537 /nfs/dbraw/zinc/38/15/37/1076381537.db2.gz FDTPHNJUEMLOCN-LLVKDONJSA-N 1 0 363.867 2.565 20 5 FFBDRO O=C(NCCC1CC[NH+](CC2CCC3(CC3)CC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001568125989 1077072873 /nfs/dbraw/zinc/07/28/73/1077072873.db2.gz LNHBACFUCMEBKF-QZTJIDSGSA-N 1 0 363.502 2.840 20 5 FFBDRO O=C(NC1(C[NH2+]CCCc2ccccc2)CCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001570796263 1077231952 /nfs/dbraw/zinc/23/19/52/1077231952.db2.gz KHBNRZDVSJDXNZ-QZTJIDSGSA-N 1 0 359.470 2.693 20 5 FFBDRO C[C@@H](C(=O)N1CC[NH2+][C@@H](Cc2ccc(F)cc2)C1)c1cccc([N+](=O)[O-])c1 ZINC001586133376 1079557259 /nfs/dbraw/zinc/55/72/59/1079557259.db2.gz XKDQYFCAFIEMOO-KDOFPFPSSA-N 1 0 371.412 2.881 20 5 FFBDRO C[C@@H]([NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC001589951644 1080898553 /nfs/dbraw/zinc/89/85/53/1080898553.db2.gz ILFYYXRNNGTJSJ-LLVKDONJSA-N 1 0 365.397 2.697 20 5 FFBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC001590189954 1081079887 /nfs/dbraw/zinc/07/98/87/1081079887.db2.gz YAGNRZJZGSDGTN-CHWSQXEVSA-N 1 0 359.434 2.555 20 5 FFBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC001590226600 1081107458 /nfs/dbraw/zinc/10/74/58/1081107458.db2.gz DMHWNHPAEUULGD-UMVBOHGHSA-N 1 0 371.445 2.617 20 5 FFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000041902264 249383938 /nfs/dbraw/zinc/38/39/38/249383938.db2.gz XRWFMOSHJLRWDX-UHFFFAOYSA-N 1 0 354.410 2.646 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](Cc1ccncc1)C1CC1 ZINC000093222155 250024362 /nfs/dbraw/zinc/02/43/62/250024362.db2.gz KJTCAXQEXVKGDE-UHFFFAOYSA-N 1 0 370.409 2.992 20 5 FFBDRO C[NH+](C)C(C)(C)CNc1ccc(I)cc1[N+](=O)[O-] ZINC000097347497 250063926 /nfs/dbraw/zinc/06/39/26/250063926.db2.gz ICHNFAKXZUETSB-UHFFFAOYSA-N 1 0 363.199 2.952 20 5 FFBDRO Cc1ccc2[nH]c([C@H]3CCC[N@H+](CCn4cc([N+](=O)[O-])cn4)C3)nc2c1 ZINC000181141422 251245958 /nfs/dbraw/zinc/24/59/58/251245958.db2.gz BONVUXFTVZULTM-AWEZNQCLSA-N 1 0 354.414 2.856 20 5 FFBDRO O=[N+]([O-])c1cc(Br)ccc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000267413133 251349303 /nfs/dbraw/zinc/34/93/03/251349303.db2.gz SAOMRRBGCKGOEA-LBPRGKRZSA-N 1 0 370.247 2.516 20 5 FFBDRO C[C@@H]1CN(C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000269230189 251398588 /nfs/dbraw/zinc/39/85/88/251398588.db2.gz VJWBXDBFGZOMPI-ZYHUDNBSSA-N 1 0 374.363 2.611 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](CCO)c1ccccc1 ZINC000271846286 251892702 /nfs/dbraw/zinc/89/27/02/251892702.db2.gz ZECCEZIFJGIENV-MRXNPFEDSA-N 1 0 373.409 2.645 20 5 FFBDRO COc1cc(C[NH2+]CC2(O)CCCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272438249 252038622 /nfs/dbraw/zinc/03/86/22/252038622.db2.gz OFDUBQGDAOIRPB-UHFFFAOYSA-N 1 0 360.357 2.642 20 5 FFBDRO C[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1=CC[N@H+](C)CC1 ZINC000272860075 252149860 /nfs/dbraw/zinc/14/98/60/252149860.db2.gz IFDQXQWILVDYAR-SNVBAGLBSA-N 1 0 357.332 2.994 20 5 FFBDRO COc1ccc(NC(=O)c2ccccc2CN2CCOCC2)cc1[N+](=O)[O-] ZINC000272945151 252170971 /nfs/dbraw/zinc/17/09/71/252170971.db2.gz PNBDCXQCMBDWAZ-UHFFFAOYSA-N 1 0 371.393 2.688 20 5 FFBDRO CC[C@@H](NCc1ccc([N+](=O)[O-])cc1F)c1cccc(S(N)(=O)=O)c1 ZINC000272891930 252158622 /nfs/dbraw/zinc/15/86/22/252158622.db2.gz XYFZETIBZVAULZ-MRXNPFEDSA-N 1 0 367.402 2.622 20 5 FFBDRO COc1ccc(NC(=O)N2CCN(Cc3ccco3)CC2)cc1[N+](=O)[O-] ZINC000272781008 252129362 /nfs/dbraw/zinc/12/93/62/252129362.db2.gz DUUUIITUFDUIQU-UHFFFAOYSA-N 1 0 360.370 2.546 20 5 FFBDRO O=C(CC[N@@H+]1CCOC2(CCCC2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000273169138 252238623 /nfs/dbraw/zinc/23/86/23/252238623.db2.gz DJUKYGCLMBJXOV-UHFFFAOYSA-N 1 0 351.378 2.708 20 5 FFBDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-] ZINC000273160884 252236133 /nfs/dbraw/zinc/23/61/33/252236133.db2.gz NOWDTKULKAXVGI-CHWSQXEVSA-N 1 0 361.354 2.594 20 5 FFBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000273212512 252253242 /nfs/dbraw/zinc/25/32/42/252253242.db2.gz BVBZPKILAKPGKX-LLVKDONJSA-N 1 0 371.384 2.999 20 5 FFBDRO C[C@@H]([NH2+][C@H](C)c1cnn(C)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000273272061 252269509 /nfs/dbraw/zinc/26/95/09/252269509.db2.gz GTJCYBIUKWJHTM-NXEZZACHSA-N 1 0 351.794 2.660 20 5 FFBDRO C[C@@H](CSC(C)(C)C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000273419822 252303327 /nfs/dbraw/zinc/30/33/27/252303327.db2.gz JCXDACIFDRCURP-LBPRGKRZSA-N 1 0 360.501 2.878 20 5 FFBDRO Cc1c(NC(=O)CCN2C[C@H]([NH+]3CCCC3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000285706844 257000869 /nfs/dbraw/zinc/00/08/69/257000869.db2.gz WENXHQLBWCYLER-GOEBONIOSA-N 1 0 360.458 2.790 20 5 FFBDRO O=C(CC[N@@H+]1CCCC2(CCOCC2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000275459384 256010417 /nfs/dbraw/zinc/01/04/17/256010417.db2.gz JRUGYNDJOBVMHC-UHFFFAOYSA-N 1 0 365.405 2.955 20 5 FFBDRO COc1cc(C(=O)NCc2ccc(CC[NH+](C)C)cc2)ccc1[N+](=O)[O-] ZINC000276134163 256074723 /nfs/dbraw/zinc/07/47/23/256074723.db2.gz DBZRAVHKKRRKRF-UHFFFAOYSA-N 1 0 357.410 2.638 20 5 FFBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000277381739 256191945 /nfs/dbraw/zinc/19/19/45/256191945.db2.gz WJJUKNHJBWLWDU-SKDRFNHKSA-N 1 0 368.231 2.570 20 5 FFBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000277305703 256182840 /nfs/dbraw/zinc/18/28/40/256182840.db2.gz UKWSKNLAUYTELI-QWHCGFSZSA-N 1 0 368.865 2.991 20 5 FFBDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000277749905 256234838 /nfs/dbraw/zinc/23/48/38/256234838.db2.gz IZFMWWBFQWHGJU-ZDUSSCGKSA-N 1 0 374.445 2.535 20 5 FFBDRO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000278139432 256281334 /nfs/dbraw/zinc/28/13/34/256281334.db2.gz NHNDRUVTEZNIHU-ZDUSSCGKSA-N 1 0 371.441 2.742 20 5 FFBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000278373167 256305235 /nfs/dbraw/zinc/30/52/35/256305235.db2.gz RURJZDISMAOKHV-CYBMUJFWSA-N 1 0 369.849 2.787 20 5 FFBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000278569909 256326477 /nfs/dbraw/zinc/32/64/77/256326477.db2.gz XEFBOBNBIPATSI-QJPKHSJYSA-N 1 0 373.453 2.710 20 5 FFBDRO C[C@H](CO)[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)CC1CCC1 ZINC000280494459 256525109 /nfs/dbraw/zinc/52/51/09/256525109.db2.gz MNQFBWMIVCTQSK-GFCCVEGCSA-N 1 0 353.394 2.545 20 5 FFBDRO CC1(C)C[C@H]([NH2+]CC2(S(C)(=O)=O)CCC2)c2cc([N+](=O)[O-])ccc21 ZINC000280967537 256590260 /nfs/dbraw/zinc/59/02/60/256590260.db2.gz LBDUHGISIAOVQP-HNNXBMFYSA-N 1 0 352.456 2.874 20 5 FFBDRO COC(=O)c1cc(C)nc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000286128381 257021684 /nfs/dbraw/zinc/02/16/84/257021684.db2.gz HEGXLIJKCVKZAG-XJKSGUPXSA-N 1 0 374.441 2.538 20 5 FFBDRO CN(C(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000286278047 257029042 /nfs/dbraw/zinc/02/90/42/257029042.db2.gz QYEBQPADUOOBTM-NNQSOWQGSA-N 1 0 351.834 2.874 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)n1 ZINC000286857152 257058727 /nfs/dbraw/zinc/05/87/27/257058727.db2.gz MREJXVMGTLGMSI-OLZOCXBDSA-N 1 0 362.430 2.841 20 5 FFBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1c1ccc([N+](=O)[O-])cc1N1CCOC1=O ZINC000286387691 257034437 /nfs/dbraw/zinc/03/44/37/257034437.db2.gz OSKUTYZGRPSBOK-DZGCQCFKSA-N 1 0 360.414 2.614 20 5 FFBDRO CC(C)c1n[nH]c(C(=O)N[C@H](C[NH+](C)C)c2ccc(F)cc2)c1[N+](=O)[O-] ZINC000287963093 257133960 /nfs/dbraw/zinc/13/39/60/257133960.db2.gz AMIIJTCFAFFLDN-CYBMUJFWSA-N 1 0 363.393 2.613 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000289314385 257274148 /nfs/dbraw/zinc/27/41/48/257274148.db2.gz BOBCUFSHKZFGLX-ICSRJNTNSA-N 1 0 368.437 2.877 20 5 FFBDRO Cc1c(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000289261153 257269738 /nfs/dbraw/zinc/26/97/38/257269738.db2.gz OIXMRACXIMDBIS-JOCQHMNTSA-N 1 0 364.402 2.615 20 5 FFBDRO [NH3+]C[C@H]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000289254918 257269790 /nfs/dbraw/zinc/26/97/90/257269790.db2.gz NWLUFSCSHQNAFB-XYPYZODXSA-N 1 0 370.247 2.852 20 5 FFBDRO C[NH+](C)CCCOc1cnccc1CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000289658808 257292295 /nfs/dbraw/zinc/29/22/95/257292295.db2.gz FIVQPVBLWOEJIX-UHFFFAOYSA-N 1 0 373.413 2.642 20 5 FFBDRO Cc1cnn([C@@H]2CCN(Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)C2)c1 ZINC000289950475 257308163 /nfs/dbraw/zinc/30/81/63/257308163.db2.gz QDJXXHQQOVTENL-OAHLLOKOSA-N 1 0 354.370 2.597 20 5 FFBDRO Cc1n[nH]c(C(=O)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000299437729 257994457 /nfs/dbraw/zinc/99/44/57/257994457.db2.gz HYUOBDHKCJIWQA-ZDUSSCGKSA-N 1 0 371.441 2.788 20 5 FFBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NCCCC[NH+](CC)CC)cc1OC ZINC000299647142 258013315 /nfs/dbraw/zinc/01/33/15/258013315.db2.gz LHVDJMOKSNRRQF-UHFFFAOYSA-N 1 0 367.446 2.854 20 5 FFBDRO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@]2(C)CCCO)c([N+](=O)[O-])c1 ZINC000299727288 258020638 /nfs/dbraw/zinc/02/06/38/258020638.db2.gz VESNAXOUJOREPI-GOSISDBHSA-N 1 0 365.430 2.559 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000302395383 258100723 /nfs/dbraw/zinc/10/07/23/258100723.db2.gz CSVGAVZXFDJVFO-HXUWFJFHSA-N 1 0 355.438 2.976 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@H](CC[NH3+])c2ccccc21 ZINC000327457669 258116259 /nfs/dbraw/zinc/11/62/59/258116259.db2.gz VXSBHBOCMLPIFV-ZDUSSCGKSA-N 1 0 361.423 2.545 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(N[C@H](C)C[NH+]2CCN(c3ccccn3)CC2)c1 ZINC000301549246 258055315 /nfs/dbraw/zinc/05/53/15/258055315.db2.gz GHVSWDXLJXNOJW-MRXNPFEDSA-N 1 0 355.442 2.921 20 5 FFBDRO Cc1nc(N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000301626805 258059613 /nfs/dbraw/zinc/05/96/13/258059613.db2.gz HOSXESOOAGFMTL-KRWDZBQOSA-N 1 0 355.442 2.699 20 5 FFBDRO O=[N+]([O-])c1cnc2ccc(N[C@H]3CCC[N@H+](Cc4ccccc4)C3)nn21 ZINC000301946207 258077453 /nfs/dbraw/zinc/07/74/53/258077453.db2.gz XKAOWWFQOFCMFT-HNNXBMFYSA-N 1 0 352.398 2.714 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000332369377 258227544 /nfs/dbraw/zinc/22/75/44/258227544.db2.gz AGEGFMAUHCMECD-CRAIPNDOSA-N 1 0 361.442 2.570 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000332376380 258227598 /nfs/dbraw/zinc/22/75/98/258227598.db2.gz DMYHZUNTEYFCHK-FUHIMQAGSA-N 1 0 360.502 2.922 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000332376378 258227705 /nfs/dbraw/zinc/22/77/05/258227705.db2.gz DMYHZUNTEYFCHK-ABSDTBQOSA-N 1 0 360.502 2.922 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N3CC[C@@H](C[NH+](C)C)C3)cc2[N+](=O)[O-])C1 ZINC000332438445 258230611 /nfs/dbraw/zinc/23/06/11/258230611.db2.gz ZHVVDDQMRRVNMN-CVEARBPZSA-N 1 0 374.485 2.855 20 5 FFBDRO C[C@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCC[N@H+](C)CC3)cc2[N+](=O)[O-])C1 ZINC000097617978 132230158 /nfs/dbraw/zinc/23/01/58/132230158.db2.gz TZCQSZPQMPCKGK-HOTGVXAUSA-N 1 0 374.485 2.855 20 5 FFBDRO C[C@@H](CNC(=O)COc1cccc([N+](=O)[O-])c1)[N@@H+]1CCc2ccccc2C1 ZINC000032369504 506246345 /nfs/dbraw/zinc/24/63/45/506246345.db2.gz LQMIMCKPVNLXDO-HNNXBMFYSA-N 1 0 369.421 2.537 20 5 FFBDRO O=C1C[C@H](c2ccccc2)[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCN1 ZINC000052836996 506259798 /nfs/dbraw/zinc/25/97/98/506259798.db2.gz NBUVUKUYEZADMQ-LJQANCHMSA-N 1 0 369.421 2.927 20 5 FFBDRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000065754825 506357839 /nfs/dbraw/zinc/35/78/39/506357839.db2.gz QVLZBYHHIMGZRZ-UHFFFAOYSA-N 1 0 362.411 2.799 20 5 FFBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000065791445 506366474 /nfs/dbraw/zinc/36/64/74/506366474.db2.gz KXWZNUSDEOETAP-UHFFFAOYSA-N 1 0 369.487 2.700 20 5 FFBDRO COc1cc2c(cc1OC)CC[NH+](C[C@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000366744047 512167971 /nfs/dbraw/zinc/16/79/71/512167971.db2.gz OIOXOQMIRVYMDJ-SFHVURJKSA-N 1 0 372.421 2.746 20 5 FFBDRO C[C@@H]1CN(c2cc(Cl)ccc2[N+](=O)[O-])CC[C@H]1[NH+]1CCN(C)CC1 ZINC000367433951 512496114 /nfs/dbraw/zinc/49/61/14/512496114.db2.gz BZNBPLFLHGEUIS-UKRRQHHQSA-N 1 0 352.866 2.710 20 5 FFBDRO C[C@H]1CN(c2cc(Cl)ccc2[N+](=O)[O-])CC[C@H]1[NH+]1CCN(C)CC1 ZINC000367433949 512496508 /nfs/dbraw/zinc/49/65/08/512496508.db2.gz BZNBPLFLHGEUIS-DZGCQCFKSA-N 1 0 352.866 2.710 20 5 FFBDRO CC[NH+](CC)[C@H](CNC(=O)CNc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000065901206 506388514 /nfs/dbraw/zinc/38/85/14/506388514.db2.gz ZFEYVMPLPAXICS-MRXNPFEDSA-N 1 0 360.414 2.799 20 5 FFBDRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)c1csc([N+](=O)[O-])c1 ZINC000065939483 506399457 /nfs/dbraw/zinc/39/94/57/506399457.db2.gz OQBWNNIWELYXFJ-UHFFFAOYSA-N 1 0 351.403 2.999 20 5 FFBDRO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000066160245 506433457 /nfs/dbraw/zinc/43/34/57/506433457.db2.gz DEDYEGVYYXLGCA-GFCCVEGCSA-N 1 0 370.356 2.898 20 5 FFBDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000053721429 506435194 /nfs/dbraw/zinc/43/51/94/506435194.db2.gz WYFYAXIHQBTPIL-AWEZNQCLSA-N 1 0 357.414 2.804 20 5 FFBDRO O=C(NCCC1=CC[NH2+]CC1)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415691847 513382924 /nfs/dbraw/zinc/38/29/24/513382924.db2.gz GKPYRIQKXUFAAP-UHFFFAOYSA-N 1 0 369.219 2.789 20 5 FFBDRO C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2CCOc2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000066377699 506501054 /nfs/dbraw/zinc/50/10/54/506501054.db2.gz JXEBVYCAEYMYPY-NUJGCVRESA-N 1 0 363.458 2.547 20 5 FFBDRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000054644068 506594123 /nfs/dbraw/zinc/59/41/23/506594123.db2.gz WKRMZQVYNFQWDO-GOSISDBHSA-N 1 0 370.453 2.609 20 5 FFBDRO O=C(NCc1ccccc1[N+](=O)[O-])NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000043167815 506714806 /nfs/dbraw/zinc/71/48/06/506714806.db2.gz JUCRJEKDUXNMCB-MRXNPFEDSA-N 1 0 358.398 2.824 20 5 FFBDRO C[NH+](C)[C@H](CNC(=O)CCNc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000011595251 506783900 /nfs/dbraw/zinc/78/39/00/506783900.db2.gz FCMORHULQWFBFD-GOSISDBHSA-N 1 0 356.426 2.816 20 5 FFBDRO [NH3+][C@H]1CCc2nc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)sc2C1 ZINC000377537021 512315105 /nfs/dbraw/zinc/31/51/05/512315105.db2.gz YSJNYLANFRSFOA-VIFPVBQESA-N 1 0 358.379 2.866 20 5 FFBDRO C[NH+](C)CCN(Cc1ccccc1)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000068311184 507181337 /nfs/dbraw/zinc/18/13/37/507181337.db2.gz SYSXZKKUYBJJJM-UHFFFAOYSA-N 1 0 367.409 2.675 20 5 FFBDRO O=C(CC[N@@H+]1CC[C@@H](c2nc(C3CC3)no2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000375435097 512325676 /nfs/dbraw/zinc/32/56/76/512325676.db2.gz WXWIWAJAHLQZAE-CYBMUJFWSA-N 1 0 371.397 2.673 20 5 FFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000024087447 507391525 /nfs/dbraw/zinc/39/15/25/507391525.db2.gz ZVZVGCPZIULQBW-UHFFFAOYSA-N 1 0 358.423 2.674 20 5 FFBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CCC([NH+]2CCCCC2)CC1 ZINC000058263028 507395485 /nfs/dbraw/zinc/39/54/85/507395485.db2.gz WSUQCRBWAMLEQU-UHFFFAOYSA-N 1 0 365.405 2.590 20 5 FFBDRO CCc1ccc([C@@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)[NH+](C)C)cc1 ZINC000048313123 507499398 /nfs/dbraw/zinc/49/93/98/507499398.db2.gz OKYGPVDBSXKPPQ-QGZVFWFLSA-N 1 0 374.416 2.911 20 5 FFBDRO C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000069784444 507559439 /nfs/dbraw/zinc/55/94/39/507559439.db2.gz HFCOCFLAJBBSFH-CYBMUJFWSA-N 1 0 363.439 2.696 20 5 FFBDRO CCOC(=O)C1CC[NH+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000026161691 507563182 /nfs/dbraw/zinc/56/31/82/507563182.db2.gz ZKKBUWSGVWCJFY-UHFFFAOYSA-N 1 0 363.414 2.507 20 5 FFBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNc1ncc([N+](=O)[O-])c(N)n1 ZINC000071954946 507728569 /nfs/dbraw/zinc/72/85/69/507728569.db2.gz OKSPTSIMRLAMCQ-CYBMUJFWSA-N 1 0 356.430 2.954 20 5 FFBDRO O=c1[nH]cnc2cc(N3CC[NH+](CC4CCCCC4)CC3)c([N+](=O)[O-])cc21 ZINC000064129200 507785763 /nfs/dbraw/zinc/78/57/63/507785763.db2.gz HJBCSSMJVDMYQE-UHFFFAOYSA-N 1 0 371.441 2.534 20 5 FFBDRO Cc1cc(NC(=O)C2CC[NH+](CCOc3cccc([N+](=O)[O-])c3)CC2)no1 ZINC000052403278 507807966 /nfs/dbraw/zinc/80/79/66/507807966.db2.gz JFICTUZFCMFBAN-UHFFFAOYSA-N 1 0 374.397 2.621 20 5 FFBDRO Cc1cc(NC(=O)C2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)no1 ZINC000052403313 507808197 /nfs/dbraw/zinc/80/81/97/507808197.db2.gz RPCCCRPARXAKHP-UHFFFAOYSA-N 1 0 358.398 2.784 20 5 FFBDRO Cc1c(C(=O)NCC2([NH+]3CCSCC3)CCCC2)cccc1[N+](=O)[O-] ZINC000031960370 507822515 /nfs/dbraw/zinc/82/25/15/507822515.db2.gz XFHJVYMDXNEEMP-UHFFFAOYSA-N 1 0 363.483 2.995 20 5 FFBDRO C[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000072663467 507839340 /nfs/dbraw/zinc/83/93/40/507839340.db2.gz ZVNTVRCBTXKXAG-BZPMIXESSA-N 1 0 361.398 2.915 20 5 FFBDRO O=[N+]([O-])c1ccc2nc(N3CCC[C@@H](C[NH+]4CCOCC4)C3)ccc2c1 ZINC000078250042 507849850 /nfs/dbraw/zinc/84/98/50/507849850.db2.gz HUFNRXZHKQTWAR-HNNXBMFYSA-N 1 0 356.426 2.692 20 5 FFBDRO CC[C@@H]1C[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CCS1 ZINC000072861824 507865691 /nfs/dbraw/zinc/86/56/91/507865691.db2.gz GSZDWZXFFVFREV-CYBMUJFWSA-N 1 0 351.428 2.720 20 5 FFBDRO C[N@@H+]1CCC[C@@H](CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000108340220 507888325 /nfs/dbraw/zinc/88/83/25/507888325.db2.gz ZKHITWLDVKQRJE-INIZCTEOSA-N 1 0 363.461 2.613 20 5 FFBDRO C[NH+]1CCN(Cc2ccc(NC(=O)Cc3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC000078897469 507915263 /nfs/dbraw/zinc/91/52/63/507915263.db2.gz KJHRZXJAGBCCQE-UHFFFAOYSA-N 1 0 368.437 2.523 20 5 FFBDRO CCC[C@@H]([NH2+][C@H]1CCc2nc(COC)nn2C1)c1cccc([N+](=O)[O-])c1 ZINC000090393702 507917144 /nfs/dbraw/zinc/91/71/44/507917144.db2.gz OKKVWFNDSLHZGO-GOEBONIOSA-N 1 0 359.430 2.779 20 5 FFBDRO CC(C)CN(C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C1CC[NH+](C)CC1 ZINC000074139566 507992195 /nfs/dbraw/zinc/99/21/95/507992195.db2.gz ZVKRMSTXNQXMRU-UHFFFAOYSA-N 1 0 359.430 2.664 20 5 FFBDRO COc1cc(C(=O)NCCC[NH+](C(C)C)C(C)C)c([N+](=O)[O-])cc1OC ZINC000074337107 508013392 /nfs/dbraw/zinc/01/33/92/508013392.db2.gz UKCCQOHTSXFXPW-UHFFFAOYSA-N 1 0 367.446 2.851 20 5 FFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cccc(OCCC[NH+](C)C)c1 ZINC000110489045 508030855 /nfs/dbraw/zinc/03/08/55/508030855.db2.gz KUGBUWOVLXVHNT-UHFFFAOYSA-N 1 0 358.398 2.881 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCCCCC[NH+]2CCCCC2)c(F)c1 ZINC000111357512 508093179 /nfs/dbraw/zinc/09/31/79/508093179.db2.gz GLBIJVVUJSFXBU-UHFFFAOYSA-N 1 0 373.450 2.668 20 5 FFBDRO COCC[N@H+](CCO)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000093005465 508113714 /nfs/dbraw/zinc/11/37/14/508113714.db2.gz FBQWSUYPWSPCQA-UHFFFAOYSA-N 1 0 354.790 2.949 20 5 FFBDRO COCCOc1ccccc1C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000093534660 508148305 /nfs/dbraw/zinc/14/83/05/508148305.db2.gz CUCRCMAWBAJGSE-INIZCTEOSA-N 1 0 372.425 2.701 20 5 FFBDRO CCC[N@H+](C)C[C@H]1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000081572985 508191689 /nfs/dbraw/zinc/19/16/89/508191689.db2.gz TVKWZTJFTUNZDY-CQSZACIVSA-N 1 0 359.430 2.809 20 5 FFBDRO CC1CC[NH+](C[C@H]2CCCN(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)CC1 ZINC000112657864 508206392 /nfs/dbraw/zinc/20/63/92/508206392.db2.gz PQWFTVIPYSUPIJ-MRXNPFEDSA-N 1 0 374.485 2.638 20 5 FFBDRO CC(C)(C)C(=O)NC[C@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000112699516 508210576 /nfs/dbraw/zinc/21/05/76/508210576.db2.gz VOPWXPWCNBFZJQ-OAHLLOKOSA-N 1 0 363.458 2.848 20 5 FFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[NH+](CC2CC2)CC1 ZINC000077196041 508285561 /nfs/dbraw/zinc/28/55/61/508285561.db2.gz LJORIWCZEDHIPL-GFCCVEGCSA-N 1 0 366.849 2.603 20 5 FFBDRO CC[NH+]1CCC(N(C)CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000077249918 508292817 /nfs/dbraw/zinc/29/28/17/508292817.db2.gz RHLFFHHCWQKSAC-UHFFFAOYSA-N 1 0 354.838 2.603 20 5 FFBDRO Cc1c(NC(=O)[C@H](C)N2CCC[C@H]([NH+]3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000077315456 508299233 /nfs/dbraw/zinc/29/92/33/508299233.db2.gz KYIWIERHVWQLTA-HOTGVXAUSA-N 1 0 360.458 2.790 20 5 FFBDRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000103555396 508317700 /nfs/dbraw/zinc/31/77/00/508317700.db2.gz XJGWKPHVEDEZFK-HZPDHXFCSA-N 1 0 364.465 2.724 20 5 FFBDRO CCOC(=O)c1ccnc(N2CCCC[C@@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000077965553 508394919 /nfs/dbraw/zinc/39/49/19/508394919.db2.gz CGPJVQQFGMXIQJ-CQSZACIVSA-N 1 0 362.430 2.621 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCc3c4ccccc4[nH]c3C2)c1 ZINC000127185256 508411885 /nfs/dbraw/zinc/41/18/85/508411885.db2.gz YGMCCMNAGREFAN-HNNXBMFYSA-N 1 0 367.405 2.874 20 5 FFBDRO CC[N@@H+]1CCC[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000152294445 508417235 /nfs/dbraw/zinc/41/72/35/508417235.db2.gz NAFBEPGKHCLLOZ-GFCCVEGCSA-N 1 0 370.247 2.500 20 5 FFBDRO CCC(CC)[C@@H](CNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-])[NH+](C)C ZINC000121827486 508426903 /nfs/dbraw/zinc/42/69/03/508426903.db2.gz YWKGWAJCOOPCNO-CQSZACIVSA-N 1 0 357.476 2.777 20 5 FFBDRO COc1cccc([C@@H](CNC(=O)c2cc(C)cc([N+](=O)[O-])c2)[NH+](C)C)c1 ZINC000121873659 508437602 /nfs/dbraw/zinc/43/76/02/508437602.db2.gz JRCDYEDLUUQEHY-GOSISDBHSA-N 1 0 357.410 2.945 20 5 FFBDRO Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000152490455 508456895 /nfs/dbraw/zinc/45/68/95/508456895.db2.gz FLEDNLYJKVGPNT-LBPRGKRZSA-N 1 0 369.468 2.594 20 5 FFBDRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000121999852 508464373 /nfs/dbraw/zinc/46/43/73/508464373.db2.gz VSGGRZLGYLGSBQ-NOZJJQNGSA-N 1 0 356.220 2.699 20 5 FFBDRO C[C@@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CC[N@@H+]1C ZINC000127658345 508482591 /nfs/dbraw/zinc/48/25/91/508482591.db2.gz MNHINQYJDLCRGJ-CABCVRRESA-N 1 0 360.458 2.750 20 5 FFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@](C)(O)c1cccs1 ZINC000156941666 508500474 /nfs/dbraw/zinc/50/04/74/508500474.db2.gz SVKUUGSFLKRJLM-YVEFUNNKSA-N 1 0 363.439 2.871 20 5 FFBDRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000122245874 508505990 /nfs/dbraw/zinc/50/59/90/508505990.db2.gz AJQMBPVHKUXYCM-SFHVURJKSA-N 1 0 370.453 2.609 20 5 FFBDRO CC(C)[C@@H](C)NC(=O)C1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000134207868 508508187 /nfs/dbraw/zinc/50/81/87/508508187.db2.gz RMRKRFATMYEEEB-OAHLLOKOSA-N 1 0 363.458 2.846 20 5 FFBDRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC1 ZINC000116454509 508516134 /nfs/dbraw/zinc/51/61/34/508516134.db2.gz QIPFPGCZYDWNPT-ZDUSSCGKSA-N 1 0 370.409 2.651 20 5 FFBDRO C[C@@H]1CN(C(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)C[C@H](C)[NH2+]1 ZINC000153306324 508569481 /nfs/dbraw/zinc/56/94/81/508569481.db2.gz DEQGOTHXLVXMLQ-SOUVJXGZSA-N 1 0 360.458 2.654 20 5 FFBDRO CCOc1ccc([C@H](C)NC[C@@H](O)C[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000153702878 508629528 /nfs/dbraw/zinc/62/95/28/508629528.db2.gz BUAAZTKKEPMLAV-DOTOQJQBSA-N 1 0 365.474 2.737 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1SC ZINC000123207318 508652044 /nfs/dbraw/zinc/65/20/44/508652044.db2.gz SLUFCUOHQUGOLZ-RYUDHWBXSA-N 1 0 367.471 2.880 20 5 FFBDRO CC(=O)c1ccc(OC[C@H](O)C[N@@H+](C)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000153845019 508660810 /nfs/dbraw/zinc/66/08/10/508660810.db2.gz CJHCMUYROYKJHO-QGZVFWFLSA-N 1 0 358.394 2.669 20 5 FFBDRO C[C@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCC[C@H]([NH3+])C3)cc2[N+](=O)[O-])C1 ZINC000158521254 508716305 /nfs/dbraw/zinc/71/63/05/508716305.db2.gz VXAZRCVZYVQTJJ-DZKIICNBSA-N 1 0 360.458 2.640 20 5 FFBDRO O=C(C1CC1)N1CCCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000119099306 508725542 /nfs/dbraw/zinc/72/55/42/508725542.db2.gz SRVTWWLVBMVXDN-UHFFFAOYSA-N 1 0 369.368 2.641 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]1C[C@H](O)c1cnn(C)c1 ZINC000371458238 512413506 /nfs/dbraw/zinc/41/35/06/512413506.db2.gz JXSAAUQJQXIBIB-WMZOPIPTSA-N 1 0 374.441 2.815 20 5 FFBDRO C[C@@H](CNC(=O)NCCc1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1ccccc1 ZINC000119221005 508750887 /nfs/dbraw/zinc/75/08/87/508750887.db2.gz YXMVTFZVOQHWMA-INIZCTEOSA-N 1 0 370.453 2.957 20 5 FFBDRO C[C@@H]1C[C@H](NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC000123897485 508754912 /nfs/dbraw/zinc/75/49/12/508754912.db2.gz WUGIBFBYAQTXEI-SKDRFNHKSA-N 1 0 368.231 2.712 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000154468729 508791666 /nfs/dbraw/zinc/79/16/66/508791666.db2.gz AVDSQHWURSATFG-AWEZNQCLSA-N 1 0 362.430 2.943 20 5 FFBDRO C[NH+](C)CC1CCC(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000130331883 508812668 /nfs/dbraw/zinc/81/26/68/508812668.db2.gz LHGDVEVCEUFRQC-UHFFFAOYSA-N 1 0 371.441 2.631 20 5 FFBDRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000144317433 508837285 /nfs/dbraw/zinc/83/72/85/508837285.db2.gz BKVSKLKRIXHOCY-JTQLQIEISA-N 1 0 373.331 2.502 20 5 FFBDRO CCC[C@H]1CN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC[N@@H+]1CCOC ZINC000130937862 508867799 /nfs/dbraw/zinc/86/77/99/508867799.db2.gz DWZSTBQTLCMNQF-HNNXBMFYSA-N 1 0 374.441 2.649 20 5 FFBDRO COc1ccc(-c2ccc(C[NH2+][C@H]3CCC(=O)N(C)C3)o2)c([N+](=O)[O-])c1 ZINC000119916013 508889813 /nfs/dbraw/zinc/88/98/13/508889813.db2.gz SANVSFPUSHGBNR-LBPRGKRZSA-N 1 0 359.382 2.574 20 5 FFBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1cc(Br)cs1 ZINC000131188542 508897125 /nfs/dbraw/zinc/89/71/25/508897125.db2.gz PEDSURXLEYGOFD-UHFFFAOYSA-N 1 0 372.244 2.713 20 5 FFBDRO Cc1sc(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)cc1[N+](=O)[O-] ZINC000124899535 508902671 /nfs/dbraw/zinc/90/26/71/508902671.db2.gz AJSBWQYURJVQNU-OLZOCXBDSA-N 1 0 373.500 2.601 20 5 FFBDRO C[C@H](Nc1ccc(C(=O)N2CC[NH2+][C@H](C)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000155013301 508903502 /nfs/dbraw/zinc/90/35/02/508903502.db2.gz HREWBKCBVJXVPM-KGLIPLIRSA-N 1 0 369.425 2.597 20 5 FFBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+](CCCO)[C@H]1CCCc2ccccc21 ZINC000159871062 508904074 /nfs/dbraw/zinc/90/40/74/508904074.db2.gz FEHFGWSFOGTRTO-IBGZPJMESA-N 1 0 371.437 2.519 20 5 FFBDRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000120058647 508918855 /nfs/dbraw/zinc/91/88/55/508918855.db2.gz ZTBSXGKZNGLNPN-HDICACEKSA-N 1 0 360.502 2.628 20 5 FFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@](C)(O)c1ccsc1 ZINC000159973859 508919153 /nfs/dbraw/zinc/91/91/53/508919153.db2.gz NLVJFBAYZYXBDS-PXAZEXFGSA-N 1 0 363.439 2.871 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000120242591 508956640 /nfs/dbraw/zinc/95/66/40/508956640.db2.gz ULMIKCCQDNJJMC-OAHLLOKOSA-N 1 0 369.487 2.550 20 5 FFBDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000155471891 509007961 /nfs/dbraw/zinc/00/79/61/509007961.db2.gz OBROWQRHUDWZHE-CYBMUJFWSA-N 1 0 369.425 2.527 20 5 FFBDRO COc1cc(C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000160661765 509015921 /nfs/dbraw/zinc/01/59/21/509015921.db2.gz BCUCTRHZSWRRIY-MRXNPFEDSA-N 1 0 361.373 2.775 20 5 FFBDRO C[C@@]1(CNc2ncc([N+](=O)[O-])cc2C(N)=O)CCC[N@@H+]1Cc1ccccc1 ZINC000160795149 509034235 /nfs/dbraw/zinc/03/42/35/509034235.db2.gz ITSUQWHOMYRWGE-IBGZPJMESA-N 1 0 369.425 2.555 20 5 FFBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1cccc(OC(F)(F)F)c1 ZINC000132580916 509048223 /nfs/dbraw/zinc/04/82/23/509048223.db2.gz BNIHPIWTMMFFPY-UHFFFAOYSA-N 1 0 371.315 2.787 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(Sc2nnc([C@H]3CCC[NH2+]C3)n2C2CC2)n1 ZINC000126639257 509106543 /nfs/dbraw/zinc/10/65/43/509106543.db2.gz TWXBHNYWDJUHLL-NSHDSACASA-N 1 0 360.443 2.843 20 5 FFBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000121012716 509110114 /nfs/dbraw/zinc/11/01/14/509110114.db2.gz KPCQBXPRDTZJFX-HNNXBMFYSA-N 1 0 371.441 2.727 20 5 FFBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@H](Oc3ccccc3Cl)C2)n1 ZINC000133120503 509119155 /nfs/dbraw/zinc/11/91/55/509119155.db2.gz HDBCORSBCJZHQD-CYBMUJFWSA-N 1 0 350.806 2.988 20 5 FFBDRO Cc1csc(Sc2ccc(C(=O)N[C@H]3CC[NH2+]C3)cc2[N+](=O)[O-])n1 ZINC000126755777 509123106 /nfs/dbraw/zinc/12/31/06/509123106.db2.gz BHDZWBWKQMHLPA-NSHDSACASA-N 1 0 364.452 2.603 20 5 FFBDRO CC(C)N(CC[NH+](C)C)C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000152019481 509130731 /nfs/dbraw/zinc/13/07/31/509130731.db2.gz WCRDFQYFCAFALZ-UHFFFAOYSA-N 1 0 372.263 2.698 20 5 FFBDRO Cc1c(Br)cc(C(=O)NCC[N@@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000121142510 509137292 /nfs/dbraw/zinc/13/72/92/509137292.db2.gz OVHFKANFQQPYBI-UHFFFAOYSA-N 1 0 358.236 2.736 20 5 FFBDRO CN(CC[NH+]1CCCC1)C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000121184438 509146733 /nfs/dbraw/zinc/14/67/33/509146733.db2.gz YQPVLNBIPXEJTR-UHFFFAOYSA-N 1 0 356.220 2.525 20 5 FFBDRO O=C(NC1CC[NH+](C2CC2)CC1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000161862113 509159382 /nfs/dbraw/zinc/15/93/82/509159382.db2.gz QFEZHAGZPNPMLD-UHFFFAOYSA-N 1 0 368.231 2.714 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@@H]3CCOC3)CC2)c(C(F)(F)F)c1 ZINC000263885670 509207378 /nfs/dbraw/zinc/20/73/78/509207378.db2.gz PHIVOHYKXMLFCP-LBPRGKRZSA-N 1 0 359.348 2.772 20 5 FFBDRO Cc1cc(C(=O)NCC2([NH+]3CCCCC3)CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000172750400 509210543 /nfs/dbraw/zinc/21/05/43/509210543.db2.gz LZDIGSUGQVPHJK-UHFFFAOYSA-N 1 0 374.485 2.583 20 5 FFBDRO O=C(Cc1cccc([N+](=O)[O-])c1)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000172769938 509225640 /nfs/dbraw/zinc/22/56/40/509225640.db2.gz WGMNHIWOOZQWEK-UHFFFAOYSA-N 1 0 353.422 2.702 20 5 FFBDRO C[NH2+]C[C@H]1CCN(C(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)C1 ZINC000179020893 509229011 /nfs/dbraw/zinc/22/90/11/509229011.db2.gz MQESJZPQAYCOQQ-OAHLLOKOSA-N 1 0 360.458 2.513 20 5 FFBDRO CC(C)(O)C[N@@H+](Cc1ccccc1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182472032 509255256 /nfs/dbraw/zinc/25/52/56/509255256.db2.gz XNPHGFBUTCIZJK-KRWDZBQOSA-N 1 0 374.437 2.608 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCC[C@H](c4ncc[nH]4)C3)o2)cc1 ZINC000266920027 509259650 /nfs/dbraw/zinc/25/96/50/509259650.db2.gz LPYZYWOJMDGIRM-ZDUSSCGKSA-N 1 0 354.370 2.748 20 5 FFBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N(C)[C@H]2CC[NH2+]C2)cc1 ZINC000179121893 509274593 /nfs/dbraw/zinc/27/45/93/509274593.db2.gz XNUCTNFWEPBLEU-AWEZNQCLSA-N 1 0 371.393 2.830 20 5 FFBDRO C[C@@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185697402 509310786 /nfs/dbraw/zinc/31/07/86/509310786.db2.gz ZUKWNLUWLYRZKR-HUUCEWRRSA-N 1 0 360.458 2.776 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000248478463 509338219 /nfs/dbraw/zinc/33/82/19/509338219.db2.gz ZGQWUVITVCSOHD-IAGOWNOFSA-N 1 0 364.442 2.758 20 5 FFBDRO C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CCc2ccccc2C1 ZINC000248476489 509338824 /nfs/dbraw/zinc/33/88/24/509338824.db2.gz YHXLUNLNINXNMU-ROUUACIJSA-N 1 0 356.422 2.824 20 5 FFBDRO O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])s1 ZINC000188993407 509359582 /nfs/dbraw/zinc/35/95/82/509359582.db2.gz DILUDFKYCLIUNZ-ZWNOBZJWSA-N 1 0 367.377 2.810 20 5 FFBDRO C[NH+]1CCC(CCNC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000185815981 509368225 /nfs/dbraw/zinc/36/82/25/509368225.db2.gz VLPWRBMNXYJRIZ-UHFFFAOYSA-N 1 0 354.838 2.779 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC(C[NH+]3CCOCC3)CC2)cc1OC(F)F ZINC000267194754 509388567 /nfs/dbraw/zinc/38/85/67/509388567.db2.gz ICZJRLMPNAVWNV-UHFFFAOYSA-N 1 0 371.384 2.745 20 5 FFBDRO COc1ccc(NC(=O)CC[N@@H+]2CCS[C@H](C)CC2)c([N+](=O)[O-])c1 ZINC000192176015 509390036 /nfs/dbraw/zinc/39/00/36/509390036.db2.gz OFEQTCRIXCNVLJ-GFCCVEGCSA-N 1 0 353.444 2.759 20 5 FFBDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000185885735 509406865 /nfs/dbraw/zinc/40/68/65/509406865.db2.gz IJADZZGZTIISRZ-STQMWFEESA-N 1 0 354.838 2.920 20 5 FFBDRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000163885006 509436606 /nfs/dbraw/zinc/43/66/06/509436606.db2.gz MUHUECGMMKKNGI-HNNXBMFYSA-N 1 0 358.442 2.753 20 5 FFBDRO CN(C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C)C1 ZINC000182870556 509468203 /nfs/dbraw/zinc/46/82/03/509468203.db2.gz LXMBCYISDPMVJI-GFCCVEGCSA-N 1 0 357.863 2.893 20 5 FFBDRO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000186022210 509483894 /nfs/dbraw/zinc/48/38/94/509483894.db2.gz YVWNJXHRFSWXRH-MRXNPFEDSA-N 1 0 367.833 2.508 20 5 FFBDRO Cc1nn(CCC(=O)NC[C@H]([NH3+])c2ccc(C(C)C)cc2)c(C)c1[N+](=O)[O-] ZINC000236715322 509489829 /nfs/dbraw/zinc/48/98/29/509489829.db2.gz PKNAXQCFLOIJBM-KRWDZBQOSA-N 1 0 373.457 2.738 20 5 FFBDRO CCCN(CCC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC000189268099 509492763 /nfs/dbraw/zinc/49/27/63/509492763.db2.gz VFOBIVOHFOCEQT-UHFFFAOYSA-N 1 0 352.391 2.615 20 5 FFBDRO CC(C)c1ccc([C@@H]([NH3+])CNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000236743153 509494427 /nfs/dbraw/zinc/49/44/27/509494427.db2.gz PRICSBDSEPWYCY-HNNXBMFYSA-N 1 0 363.439 2.697 20 5 FFBDRO CC[NH+]1CCC(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000267495842 509515840 /nfs/dbraw/zinc/51/58/40/509515840.db2.gz QDHWHLDGJRFKAL-UHFFFAOYSA-N 1 0 356.220 2.571 20 5 FFBDRO CCCC[C@H](C[NH3+])NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000236927958 509535732 /nfs/dbraw/zinc/53/57/32/509535732.db2.gz RQIHDUFONSIHCV-SNVBAGLBSA-N 1 0 363.336 2.783 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCCC[C@@H]2c2cc3ccccc3[nH]2)c1 ZINC000173353223 509549338 /nfs/dbraw/zinc/54/93/38/509549338.db2.gz LILSXLFDWVYFNM-QFBILLFUSA-N 1 0 369.425 2.861 20 5 FFBDRO C[NH2+]C[C@H](C)CNC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(OC)cc1 ZINC000237166640 509585451 /nfs/dbraw/zinc/58/54/51/509585451.db2.gz GNNDUHDFWUVBMW-ZDUSSCGKSA-N 1 0 373.409 2.981 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N(C)CC[C@H]([NH3+])C(C)C)cc1SC ZINC000237190032 509589944 /nfs/dbraw/zinc/58/99/44/509589944.db2.gz JBEHUVGVCLCAAP-LBPRGKRZSA-N 1 0 355.460 2.771 20 5 FFBDRO COc1cc(C(=O)NCC2([NH3+])CCCCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000237251447 509602731 /nfs/dbraw/zinc/60/27/31/509602731.db2.gz RATXUTZNDBBBHG-UHFFFAOYSA-N 1 0 373.356 2.596 20 5 FFBDRO CN(C(=O)C[NH2+][C@H](CCCO)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000179746964 509603132 /nfs/dbraw/zinc/60/31/32/509603132.db2.gz QRFHPGXQVWNSQZ-GOSISDBHSA-N 1 0 357.410 2.661 20 5 FFBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000237359719 509632077 /nfs/dbraw/zinc/63/20/77/509632077.db2.gz ZDRNOOKXKIOYPS-QAPCUYQASA-N 1 0 363.461 2.883 20 5 FFBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CC[C@H]([NH3+])C2)cc1 ZINC000237455459 509651697 /nfs/dbraw/zinc/65/16/97/509651697.db2.gz GJYXJNADFAWBRJ-LBPRGKRZSA-N 1 0 357.366 2.569 20 5 FFBDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000237511991 509666138 /nfs/dbraw/zinc/66/61/38/509666138.db2.gz MFQSBPHSFKEGHT-WCQYABFASA-N 1 0 360.439 2.918 20 5 FFBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000267986977 509704307 /nfs/dbraw/zinc/70/43/07/509704307.db2.gz PKINABFNJJCWDC-DZGCQCFKSA-N 1 0 369.487 2.548 20 5 FFBDRO CCN(CCC[NH+](C)C)S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000192941701 509706897 /nfs/dbraw/zinc/70/68/97/509706897.db2.gz ZBNRHYOZAYRYPL-UHFFFAOYSA-N 1 0 363.867 2.519 20 5 FFBDRO C[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)[C@@H]1C[NH3+] ZINC000237715119 509717956 /nfs/dbraw/zinc/71/79/56/509717956.db2.gz IRYBKAGMKUANLT-TVQRCGJNSA-N 1 0 356.220 2.557 20 5 FFBDRO CNC(=O)c1ccc(NCC2CCN(c3cc[nH+]cc3)CC2)c([N+](=O)[O-])c1 ZINC000180042449 509722500 /nfs/dbraw/zinc/72/25/00/509722500.db2.gz ITKZWUHXTPHRIO-UHFFFAOYSA-N 1 0 369.425 2.678 20 5 FFBDRO COCCC(=O)N1CCC([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000193028523 509742686 /nfs/dbraw/zinc/74/26/86/509742686.db2.gz AYOGAMCWZAMAPE-GOSISDBHSA-N 1 0 361.442 2.589 20 5 FFBDRO C[NH+](C)Cc1ccsc1C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000268103720 509757111 /nfs/dbraw/zinc/75/71/11/509757111.db2.gz LCAZTKCUDJYHGN-UHFFFAOYSA-N 1 0 374.466 2.680 20 5 FFBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000268120188 509767540 /nfs/dbraw/zinc/76/75/40/509767540.db2.gz KREZYWINYIDATD-GJZGRUSLSA-N 1 0 352.822 2.674 20 5 FFBDRO O=C(C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)NCCc1ccccc1 ZINC000193089701 509775756 /nfs/dbraw/zinc/77/57/56/509775756.db2.gz XFOVCMQXVFQVFW-IBGZPJMESA-N 1 0 353.422 2.921 20 5 FFBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NCCCC[NH+](C)C)CC1 ZINC000264941357 509785428 /nfs/dbraw/zinc/78/54/28/509785428.db2.gz WBIPUOHHXISAOX-UHFFFAOYSA-N 1 0 362.474 2.903 20 5 FFBDRO COc1cc(C[N@@H+]2CCC[C@H]2C[C@@H](C)O)c([N+](=O)[O-])cc1OCC(F)F ZINC000180170766 509790822 /nfs/dbraw/zinc/79/08/22/509790822.db2.gz UZUJYEKQINDYBV-YPMHNXCESA-N 1 0 374.384 2.983 20 5 FFBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000268183532 509800772 /nfs/dbraw/zinc/80/07/72/509800772.db2.gz LXOGJEQWMGNUEF-ZANVPECISA-N 1 0 357.332 2.826 20 5 FFBDRO C[C@H]1CCC[N@H+](CCNC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000176987502 509801849 /nfs/dbraw/zinc/80/18/49/509801849.db2.gz BCMXWLFMFANMPG-NSHDSACASA-N 1 0 370.247 2.819 20 5 FFBDRO [NH3+][C@@H](CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000238039908 509807125 /nfs/dbraw/zinc/80/71/25/509807125.db2.gz HLGQUKUIXSDXGE-INIZCTEOSA-N 1 0 354.410 2.625 20 5 FFBDRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000177011080 509816781 /nfs/dbraw/zinc/81/67/81/509816781.db2.gz AMFUSPSGNCNLQE-JTQLQIEISA-N 1 0 368.231 2.571 20 5 FFBDRO CN(C(=O)C[N@H+](Cc1ccccc1)CC(C)(C)O)c1ccc([N+](=O)[O-])cc1 ZINC000180219366 509818479 /nfs/dbraw/zinc/81/84/79/509818479.db2.gz UXWOTZOYZSLGIJ-UHFFFAOYSA-N 1 0 371.437 2.831 20 5 FFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000189936275 509838149 /nfs/dbraw/zinc/83/81/49/509838149.db2.gz STSHOZNOURCABY-HNNXBMFYSA-N 1 0 365.474 2.659 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H](c2ccc(F)cc2)C2CCCC2)c1 ZINC000180303498 509859491 /nfs/dbraw/zinc/85/94/91/509859491.db2.gz GBLGXCUSUBXBEB-MSOLQXFVSA-N 1 0 362.405 2.812 20 5 FFBDRO O=C(Nc1ccncc1[N+](=O)[O-])N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000183601606 509881001 /nfs/dbraw/zinc/88/10/01/509881001.db2.gz FDCQRCNRTCRCCL-OAHLLOKOSA-N 1 0 355.398 2.776 20 5 FFBDRO CC1CCN(c2ccc(C(=O)NC3(C)CC[NH2+]CC3)cc2[N+](=O)[O-])CC1 ZINC000193362494 509882962 /nfs/dbraw/zinc/88/29/62/509882962.db2.gz WEIZYBKKUCKHFA-UHFFFAOYSA-N 1 0 360.458 2.703 20 5 FFBDRO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000186799660 509901137 /nfs/dbraw/zinc/90/11/37/509901137.db2.gz TUKSIISXVGFVIW-UHFFFAOYSA-N 1 0 370.409 2.611 20 5 FFBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC(C)(C)CC[NH+]1CCCCCC1 ZINC000186816179 509904803 /nfs/dbraw/zinc/90/48/03/509904803.db2.gz VTZCLRSNJBKCSV-UHFFFAOYSA-N 1 0 365.478 2.651 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N[C@H]3C[NH2+]CC[C@H]3C)cc2[N+](=O)[O-])CC1 ZINC000186868192 509920585 /nfs/dbraw/zinc/92/05/85/509920585.db2.gz KGAFGAHVTUYUOU-ZBFHGGJFSA-N 1 0 360.458 2.559 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)C1CCC(OC)CC1 ZINC000265205018 509920714 /nfs/dbraw/zinc/92/07/14/509920714.db2.gz KOLXFOPGSHABLX-UHFFFAOYSA-N 1 0 365.430 2.821 20 5 FFBDRO COC(=O)[C@H](C)[N@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)C1CCC1 ZINC000190081154 509927266 /nfs/dbraw/zinc/92/72/66/509927266.db2.gz AFNBHUYPKIIASW-ZDUSSCGKSA-N 1 0 363.414 2.648 20 5 FFBDRO C[C@H]([NH2+]CC(=O)NCCOc1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000180446403 509929058 /nfs/dbraw/zinc/92/90/58/509929058.db2.gz DCVDVWBWGWOBIO-ZDUSSCGKSA-N 1 0 361.373 2.580 20 5 FFBDRO C[C@@H]([NH2+]CC(=O)Nc1ccc2c(c1)OCCO2)c1cccc([N+](=O)[O-])c1 ZINC000180450324 509930857 /nfs/dbraw/zinc/93/08/57/509930857.db2.gz FOYUQNXHAAJHDU-GFCCVEGCSA-N 1 0 357.366 2.655 20 5 FFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245457168 509945941 /nfs/dbraw/zinc/94/59/41/509945941.db2.gz UFFSUUAYJLZACM-CVEARBPZSA-N 1 0 360.458 2.730 20 5 FFBDRO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000245468177 509954154 /nfs/dbraw/zinc/95/41/54/509954154.db2.gz ZVNTVRCBTXKXAG-MBNYWOFBSA-N 1 0 361.398 2.915 20 5 FFBDRO Cc1ccnc(Sc2nnc([C@@H]3CCC[NH2+]C3)n2C2CC2)c1[N+](=O)[O-] ZINC000265378475 510023250 /nfs/dbraw/zinc/02/32/50/510023250.db2.gz BVQNPLNPUCRASA-LLVKDONJSA-N 1 0 360.443 2.843 20 5 FFBDRO O=C(CN1CC[NH2+]C[C@H]1c1cccc(Cl)c1)Nc1ccccc1[N+](=O)[O-] ZINC000261713589 510036288 /nfs/dbraw/zinc/03/62/88/510036288.db2.gz MTHKDLYTRWJJLR-KRWDZBQOSA-N 1 0 374.828 2.833 20 5 FFBDRO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000193766316 510058526 /nfs/dbraw/zinc/05/85/26/510058526.db2.gz XRXKHKNBSYWOIO-HNNXBMFYSA-N 1 0 357.385 2.986 20 5 FFBDRO CCOC(=O)c1csc(CC[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)n1 ZINC000190346369 510076889 /nfs/dbraw/zinc/07/68/89/510076889.db2.gz QQIHDEHRIZPFOB-UHFFFAOYSA-N 1 0 365.411 2.569 20 5 FFBDRO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1[N+](=O)[O-] ZINC000193813045 510083386 /nfs/dbraw/zinc/08/33/86/510083386.db2.gz XKJVGNGSELAXNC-HNNXBMFYSA-N 1 0 357.385 2.986 20 5 FFBDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000177496894 510096233 /nfs/dbraw/zinc/09/62/33/510096233.db2.gz IOCRVSAKBWJUPS-HOTGVXAUSA-N 1 0 360.458 2.798 20 5 FFBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])c4cccnc34)CC[C@H]21 ZINC000245706209 510098231 /nfs/dbraw/zinc/09/82/31/510098231.db2.gz DHWCIFDAUQDTRA-XJKSGUPXSA-N 1 0 354.410 2.699 20 5 FFBDRO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000265593763 510131039 /nfs/dbraw/zinc/13/10/39/510131039.db2.gz YOIIHEYYXZIREX-CYBMUJFWSA-N 1 0 373.409 2.572 20 5 FFBDRO Cn1cc(C[NH2+]CCCNc2ccccn2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000177591144 510149995 /nfs/dbraw/zinc/14/99/95/510149995.db2.gz GREZUOVDPDLPFU-UHFFFAOYSA-N 1 0 366.425 2.982 20 5 FFBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000245873998 510181693 /nfs/dbraw/zinc/18/16/93/510181693.db2.gz AIGUOKOHBCUSGD-GXFFZTMASA-N 1 0 357.357 2.608 20 5 FFBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000245882411 510185255 /nfs/dbraw/zinc/18/52/55/510185255.db2.gz IITARBGUGPMJJC-BBRMVZONSA-N 1 0 354.410 2.699 20 5 FFBDRO COc1ccc(-c2ccncc2)cc1C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000187308725 510185527 /nfs/dbraw/zinc/18/55/27/510185527.db2.gz KBKSIQXOSATSRD-UHFFFAOYSA-N 1 0 353.382 2.652 20 5 FFBDRO CC[C@@H]([NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccs1 ZINC000180939874 510195142 /nfs/dbraw/zinc/19/51/42/510195142.db2.gz CLZSWVBAEVOCHF-GFCCVEGCSA-N 1 0 369.468 2.676 20 5 FFBDRO O=C(NCC[NH2+]C1CCCCCC1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000262193760 510207273 /nfs/dbraw/zinc/20/72/73/510207273.db2.gz MHOYOSZNOULIRZ-UHFFFAOYSA-N 1 0 371.441 2.823 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@@H](CCCc3ccccc3)C2)c1 ZINC000245929014 510213817 /nfs/dbraw/zinc/21/38/17/510213817.db2.gz IPEAQTFDEDSXDG-UYAOXDASSA-N 1 0 372.469 2.887 20 5 FFBDRO C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccccn1)c1cccc([N+](=O)[O-])c1 ZINC000171547010 510220035 /nfs/dbraw/zinc/22/00/35/510220035.db2.gz YCAJFFDSJOAFLV-OAHLLOKOSA-N 1 0 371.441 2.824 20 5 FFBDRO CCCO[C@@H]1CCC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000246016828 510250976 /nfs/dbraw/zinc/25/09/76/510250976.db2.gz KBRIBVHRNLJJMP-MSOLQXFVSA-N 1 0 361.442 2.981 20 5 FFBDRO CN(CC(C)(C)C[NH3+])C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000269197524 510285936 /nfs/dbraw/zinc/28/59/36/510285936.db2.gz RJTNWTZPKILCNZ-UHFFFAOYSA-N 1 0 362.199 2.553 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@H]2Cc2ccccc2Cl)c1 ZINC000174749396 510289788 /nfs/dbraw/zinc/28/97/88/510289788.db2.gz FHTFXGAUYDKNHJ-HOCLYGCPSA-N 1 0 364.833 2.513 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@H]1C[NH+]1CCCC1 ZINC000171708304 510322226 /nfs/dbraw/zinc/32/22/26/510322226.db2.gz IUVGNSAWTBPEDZ-KRWDZBQOSA-N 1 0 360.458 2.792 20 5 FFBDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 ZINC000269284252 510323291 /nfs/dbraw/zinc/32/32/91/510323291.db2.gz RVBRDERGZIHIQC-DTWKUNHWSA-N 1 0 374.210 2.696 20 5 FFBDRO C[C@H](Nc1ccc(C(=O)NCC(C)(C)[NH3+])cc1[N+](=O)[O-])c1ccccn1 ZINC000262614319 510335770 /nfs/dbraw/zinc/33/57/70/510335770.db2.gz FOPMVRDKWSOTTP-LBPRGKRZSA-N 1 0 357.414 2.630 20 5 FFBDRO COc1cc(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cc([N+](=O)[O-])c1OC ZINC000265986782 510341127 /nfs/dbraw/zinc/34/11/27/510341127.db2.gz LAYVFFRBYLCADS-INIZCTEOSA-N 1 0 373.409 2.645 20 5 FFBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)c1 ZINC000174855114 510346458 /nfs/dbraw/zinc/34/64/58/510346458.db2.gz IWFDTKMGYBUFKP-KRWDZBQOSA-N 1 0 364.833 2.890 20 5 FFBDRO Cc1ccsc1[C@H](C)[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000178000386 510368133 /nfs/dbraw/zinc/36/81/33/510368133.db2.gz ROXZQWASXHQCJP-LBPRGKRZSA-N 1 0 369.468 2.594 20 5 FFBDRO Cc1cccc(C(=O)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)cn2)c1[N+](=O)[O-] ZINC000269417164 510396056 /nfs/dbraw/zinc/39/60/56/510396056.db2.gz JLYWZJBEVKOOST-HNNXBMFYSA-N 1 0 369.425 2.691 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000266137660 510428857 /nfs/dbraw/zinc/42/88/57/510428857.db2.gz ZNHZPEVIQVAHOK-UHFFFAOYSA-N 1 0 354.410 2.693 20 5 FFBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000266196594 510456776 /nfs/dbraw/zinc/45/67/76/510456776.db2.gz GIXSOJMJWJYBHC-MRXNPFEDSA-N 1 0 370.453 2.884 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@@H](CO)c1ccccc1 ZINC000269628914 510489980 /nfs/dbraw/zinc/48/99/80/510489980.db2.gz VUFUXKIEGJUEAN-SFHVURJKSA-N 1 0 357.410 2.897 20 5 FFBDRO COc1ccc(C(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000181675439 510534245 /nfs/dbraw/zinc/53/42/45/510534245.db2.gz KRPPUPZSWBOKND-HIFRSBDPSA-N 1 0 361.442 2.986 20 5 FFBDRO CCC[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1F ZINC000181682804 510537255 /nfs/dbraw/zinc/53/72/55/510537255.db2.gz MTPYENGVQAPQQU-CJNGLKHVSA-N 1 0 354.357 2.561 20 5 FFBDRO C[C@H]1CC[C@@](CO)([N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000188009220 510547589 /nfs/dbraw/zinc/54/75/89/510547589.db2.gz QUNZQBPLYFRETG-MEDUHNTESA-N 1 0 355.822 2.670 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC2(CC1)[C@H](OCC)C[C@@H]2O ZINC000175259592 510558378 /nfs/dbraw/zinc/55/83/78/510558378.db2.gz BDQULKIKQKMPGX-ZWKOTPCHSA-N 1 0 364.442 2.745 20 5 FFBDRO CC(C)[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000266425633 510579372 /nfs/dbraw/zinc/57/93/72/510579372.db2.gz JPLFJBATUXZQRO-CVEARBPZSA-N 1 0 352.822 2.793 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCN(C)CC12CCCCC2 ZINC000175313163 510583836 /nfs/dbraw/zinc/58/38/36/510583836.db2.gz LTTRWFUKOGNCMH-UHFFFAOYSA-N 1 0 367.471 2.542 20 5 FFBDRO Cc1[nH]nc(C(=O)N2CCC[C@H]2Cn2c(C)nc3ccccc32)c1[N+](=O)[O-] ZINC000270024865 510643038 /nfs/dbraw/zinc/64/30/38/510643038.db2.gz AHIWMTFDBZPYSQ-ZDUSSCGKSA-N 1 0 368.397 2.589 20 5 FFBDRO C[C@H](Nc1ccc(C(=O)N2CC[C@H](C[NH3+])C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000178519512 510643084 /nfs/dbraw/zinc/64/30/84/510643084.db2.gz XBQMIBIKNSPDLN-UONOGXRCSA-N 1 0 369.425 2.584 20 5 FFBDRO COc1ccc([C@@H]2CCCCC[N@@H+]2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000246801945 510681911 /nfs/dbraw/zinc/68/19/11/510681911.db2.gz VNMKFJPFVAOCNP-MJGOQNOKSA-N 1 0 374.441 2.778 20 5 FFBDRO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccc(-n2ccnn2)cc1 ZINC000182006646 510704658 /nfs/dbraw/zinc/70/46/58/510704658.db2.gz HDSKDMWELCELAH-CQSZACIVSA-N 1 0 353.382 2.905 20 5 FFBDRO COc1ccc(CNC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000266685899 510729007 /nfs/dbraw/zinc/72/90/07/510729007.db2.gz DLKYZUXPJGSSHN-OAHLLOKOSA-N 1 0 364.446 2.619 20 5 FFBDRO CCc1[nH]nc(C(=O)Nc2ccccc2NC2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000188366666 510730949 /nfs/dbraw/zinc/73/09/49/510730949.db2.gz FRWHZXFHHBRTEG-UHFFFAOYSA-N 1 0 372.429 2.639 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N3C[C@@H]4CC[C@@H]([NH3+])[C@@H]4C3)cc2[N+](=O)[O-])CC1 ZINC000185187266 510736659 /nfs/dbraw/zinc/73/66/59/510736659.db2.gz SCYHIVGFURWIOW-GVDBMIGSSA-N 1 0 372.469 2.640 20 5 FFBDRO Cc1csc(C(C)(C)[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)n1 ZINC000266727306 510752997 /nfs/dbraw/zinc/75/29/97/510752997.db2.gz JNCBXBBGXHWBEN-CYBMUJFWSA-N 1 0 351.428 2.624 20 5 FFBDRO CN(C(=O)c1cc([N+](=O)[O-])ccc1N)C1CC[NH+](Cc2ccccc2)CC1 ZINC000191648142 510771057 /nfs/dbraw/zinc/77/10/57/510771057.db2.gz KQPRGNSRVPINPI-UHFFFAOYSA-N 1 0 368.437 2.914 20 5 FFBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NC[C@H]2CCC[NH2+]2)cc1 ZINC000178788565 510772241 /nfs/dbraw/zinc/77/22/41/510772241.db2.gz ASHFTSUHJWNHOI-CYBMUJFWSA-N 1 0 371.393 2.878 20 5 FFBDRO CCSc1ccc([C@@H](C)[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000182136684 510775341 /nfs/dbraw/zinc/77/53/41/510775341.db2.gz JJUBGLNZXDQLBJ-DOMZBBRYSA-N 1 0 350.444 2.615 20 5 FFBDRO CC(C)c1n[nH]c(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000270389080 510788434 /nfs/dbraw/zinc/78/84/34/510788434.db2.gz AHYSWJDDRBRUDA-CJNGLKHVSA-N 1 0 357.414 2.617 20 5 FFBDRO C[C@@H]([NH3+])C1CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1 ZINC000178828091 510792585 /nfs/dbraw/zinc/79/25/85/510792585.db2.gz ATHURTQJTOLSSD-OAHLLOKOSA-N 1 0 363.461 2.741 20 5 FFBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](C[N@H+](C)Cc2ccccc2)C(C)C)n1 ZINC000191713475 510798381 /nfs/dbraw/zinc/79/83/81/510798381.db2.gz ASFHUHMEGYNCQG-MRXNPFEDSA-N 1 0 373.457 2.698 20 5 FFBDRO C[C@@H]([NH3+])C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CC1 ZINC000178846439 510801541 /nfs/dbraw/zinc/80/15/41/510801541.db2.gz CPHDQQDZQFSVFJ-CQSZACIVSA-N 1 0 360.458 2.785 20 5 FFBDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000188511820 510804541 /nfs/dbraw/zinc/80/45/41/510804541.db2.gz JQTPGMDJKKGYGV-ZDUSSCGKSA-N 1 0 369.425 2.527 20 5 FFBDRO COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000270434288 510807723 /nfs/dbraw/zinc/80/77/23/510807723.db2.gz JUFHNQVNPFHOAT-KBXCAEBGSA-N 1 0 374.397 2.856 20 5 FFBDRO C[C@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCO2 ZINC000182290845 510844920 /nfs/dbraw/zinc/84/49/20/510844920.db2.gz QRFUHHPUYXKMJT-LBPRGKRZSA-N 1 0 357.366 2.637 20 5 FFBDRO Cn1cc([C@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)c2ccc(F)cc2)cn1 ZINC000185438219 510844911 /nfs/dbraw/zinc/84/49/11/510844911.db2.gz BXFMAUQKPICBRI-RTBURBONSA-N 1 0 370.384 2.880 20 5 FFBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000182307863 510848205 /nfs/dbraw/zinc/84/82/05/510848205.db2.gz DMONUKUDFJGHBS-GHMZBOCLSA-N 1 0 357.357 2.799 20 5 FFBDRO CCc1ccc([C@@H]2C[C@@H](C)CC[N@@H+]2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)o1 ZINC000247531746 510864748 /nfs/dbraw/zinc/86/47/48/510864748.db2.gz OGSLSUSBVGTMMU-LXZKKBNFSA-N 1 0 362.430 2.781 20 5 FFBDRO Cn1nccc1[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000360306199 510895713 /nfs/dbraw/zinc/89/57/13/510895713.db2.gz SWLRGOVHKKUYKE-CQSZACIVSA-N 1 0 357.414 2.537 20 5 FFBDRO C[N@@H+]1CC[C@H](NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)[C@H]1c1ccccc1 ZINC000270607713 510922675 /nfs/dbraw/zinc/92/26/75/510922675.db2.gz DWFFNIBEBHYFFG-QFBILLFUSA-N 1 0 373.384 2.674 20 5 FFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000361035445 510983853 /nfs/dbraw/zinc/98/38/53/510983853.db2.gz ZQBGNAVEJWZFSK-AUUYWEPGSA-N 1 0 368.437 2.939 20 5 FFBDRO CC(C)[NH+]1CCC(N(C)C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)CC1 ZINC000294233115 510998603 /nfs/dbraw/zinc/99/86/03/510998603.db2.gz BJASZNWHEYVONB-UHFFFAOYSA-N 1 0 371.441 2.930 20 5 FFBDRO Cc1c(C(=O)N2CCC(N3CC[NH+](C(C)C)CC3)CC2)cccc1[N+](=O)[O-] ZINC000270845058 511002742 /nfs/dbraw/zinc/00/27/42/511002742.db2.gz FTWHVPQLJLNPDI-UHFFFAOYSA-N 1 0 374.485 2.534 20 5 FFBDRO C[NH+](C)Cc1cccc(CNC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000294389176 511048354 /nfs/dbraw/zinc/04/83/54/511048354.db2.gz KABCZSDWQXCGES-UHFFFAOYSA-N 1 0 369.421 2.936 20 5 FFBDRO CCCC[NH+]1CCC(NC(=O)c2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC000294431021 511061993 /nfs/dbraw/zinc/06/19/93/511061993.db2.gz AIOKAAJJRMGPJM-UHFFFAOYSA-N 1 0 353.394 2.737 20 5 FFBDRO O=C1CC[C@@H]([NH2+]Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C2(CCC2)N1 ZINC000282800497 511116093 /nfs/dbraw/zinc/11/60/93/511116093.db2.gz OLXQPOUVRMVXBB-OAHLLOKOSA-N 1 0 356.382 2.541 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ccc(CN3CCOC[C@@H](O)C3)o2)c(Cl)c1 ZINC000294679612 511140464 /nfs/dbraw/zinc/14/04/64/511140464.db2.gz BLCMWQFTBFAFGU-LBPRGKRZSA-N 1 0 352.774 2.701 20 5 FFBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2nn(C)cc2[N+](=O)[O-])cc1 ZINC000271471815 511215873 /nfs/dbraw/zinc/21/58/73/511215873.db2.gz YYHXMIBYMRTMHW-CYBMUJFWSA-N 1 0 357.414 2.955 20 5 FFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CO)C[C@H](O)c1ccccc1 ZINC000271532115 511235978 /nfs/dbraw/zinc/23/59/78/511235978.db2.gz RGEYPKDQGKFHQE-ZTNFWEORSA-N 1 0 358.438 2.990 20 5 FFBDRO COc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC000271612970 511262971 /nfs/dbraw/zinc/26/29/71/511262971.db2.gz BVKHROBWCIQFJV-LBPRGKRZSA-N 1 0 359.382 2.901 20 5 FFBDRO CC(C)[NH+]1CCC(N(C)C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000298568920 511331635 /nfs/dbraw/zinc/33/16/35/511331635.db2.gz BIBAIINIXIMAIA-UHFFFAOYSA-N 1 0 371.441 2.725 20 5 FFBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1cc(OC)c(OCC)cc1[N+](=O)[O-] ZINC000291998187 511423582 /nfs/dbraw/zinc/42/35/82/511423582.db2.gz NSFOJSFPIDJNAH-CYBMUJFWSA-N 1 0 367.446 2.852 20 5 FFBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292131618 511476538 /nfs/dbraw/zinc/47/65/38/511476538.db2.gz LFTUAXIRVUJDKL-SJCJKPOMSA-N 1 0 366.849 2.603 20 5 FFBDRO O=C(CC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)NCC1CCCCC1 ZINC000365509126 511493489 /nfs/dbraw/zinc/49/34/89/511493489.db2.gz IIBTZZRJNYZMIM-UHFFFAOYSA-N 1 0 363.462 2.515 20 5 FFBDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000299086630 511510083 /nfs/dbraw/zinc/51/00/83/511510083.db2.gz SWHGESNOULEQPW-CVEARBPZSA-N 1 0 358.442 2.552 20 5 FFBDRO Cc1n[nH]c(C(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)c1[N+](=O)[O-] ZINC000299460726 511644554 /nfs/dbraw/zinc/64/45/54/511644554.db2.gz YPAICDYBNOLKHE-ZDUSSCGKSA-N 1 0 371.441 2.931 20 5 FFBDRO C[C@@H]([NH2+]C1CCN(Cc2ccncc2)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284303333 511675580 /nfs/dbraw/zinc/67/55/80/511675580.db2.gz YTZBCURLWCAHTG-CQSZACIVSA-N 1 0 355.442 2.887 20 5 FFBDRO C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1C)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365882269 511708137 /nfs/dbraw/zinc/70/81/37/511708137.db2.gz RLSBTAWICSVFBX-IJEWVQPXSA-N 1 0 363.462 2.512 20 5 FFBDRO CCN(Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000292815366 511730146 /nfs/dbraw/zinc/73/01/46/511730146.db2.gz NNIIDMWAJLRICW-GFCCVEGCSA-N 1 0 366.361 2.623 20 5 FFBDRO CC(C)[C@H](CNc1nccc2cc([N+](=O)[O-])ccc21)[NH+]1CCN(C)CC1 ZINC000296489012 511764810 /nfs/dbraw/zinc/76/48/10/511764810.db2.gz KZCJAFMJONCLQL-SFHVURJKSA-N 1 0 357.458 2.827 20 5 FFBDRO CCOc1ccc(-c2nc([C@@H]3C[N@@H+]4CCC[C@@]4(C)CO3)no2)cc1[N+](=O)[O-] ZINC000350381693 511797365 /nfs/dbraw/zinc/79/73/65/511797365.db2.gz FEUGGKRVAUTMBJ-YJBOKZPZSA-N 1 0 374.397 2.969 20 5 FFBDRO COc1cc(Cc2noc([C@@H]3CCn4c(C)[nH+]cc4C3)n2)ccc1[N+](=O)[O-] ZINC000350421040 511806864 /nfs/dbraw/zinc/80/68/64/511806864.db2.gz UQUAIGLJTFTAKQ-CYBMUJFWSA-N 1 0 369.381 2.812 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@](CO)(C(C)C)C1 ZINC000293015927 511807611 /nfs/dbraw/zinc/80/76/11/511807611.db2.gz KEZDEBRHUPHINE-IBGZPJMESA-N 1 0 363.458 2.962 20 5 FFBDRO COc1ccc(OCC[N@@H+]2CCSC3(CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000274517046 511861006 /nfs/dbraw/zinc/86/10/06/511861006.db2.gz MNPHGFGWSWKOMX-UHFFFAOYSA-N 1 0 368.455 2.580 20 5 FFBDRO C[C@H]1CN(C(=O)NCCc2ccccc2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000293159653 511863630 /nfs/dbraw/zinc/86/36/30/511863630.db2.gz CHKIPYUIBVXCPY-OAHLLOKOSA-N 1 0 360.458 2.653 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)n1 ZINC000284826055 511886755 /nfs/dbraw/zinc/88/67/55/511886755.db2.gz JWQTZJJCFAXNPY-WMLDXEAASA-N 1 0 358.446 2.551 20 5 FFBDRO C[C@@H](NCC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC000274667529 511903715 /nfs/dbraw/zinc/90/37/15/511903715.db2.gz RPADCHPPUMGIPO-DNVCBOLYSA-N 1 0 370.453 2.665 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCO[C@@H](C(C)C)C1 ZINC000293336678 511929103 /nfs/dbraw/zinc/92/91/03/511929103.db2.gz YMCNZIDTIDEJKZ-QGZVFWFLSA-N 1 0 365.430 2.679 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000281682174 511929831 /nfs/dbraw/zinc/92/98/31/511929831.db2.gz USBQMQWRPAMMRB-HZPDHXFCSA-N 1 0 361.442 2.615 20 5 FFBDRO Cc1ccnc(N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)c1[N+](=O)[O-] ZINC000285020048 511971183 /nfs/dbraw/zinc/97/11/83/511971183.db2.gz UYCMJKBVKYGCOT-WMLDXEAASA-N 1 0 358.446 2.551 20 5 FFBDRO O=[N+]([O-])c1ccc(OCC[NH+]2CCC(c3nnc4n3CCCC4)CC2)cc1 ZINC000275040470 512023322 /nfs/dbraw/zinc/02/33/22/512023322.db2.gz XUVZYBMJLAQQPQ-UHFFFAOYSA-N 1 0 371.441 2.781 20 5 FFBDRO CC(C)(CCC[NH3+])NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000293688461 512052049 /nfs/dbraw/zinc/05/20/49/512052049.db2.gz OQWVNFTWVOKRTD-UHFFFAOYSA-N 1 0 351.450 2.788 20 5 FFBDRO O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000293705886 512058019 /nfs/dbraw/zinc/05/80/19/512058019.db2.gz QNDYSQPZKBZUMT-IYBDPMFKSA-N 1 0 372.469 2.657 20 5 FFBDRO O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)NC1CC[NH+](C2CCC2)CC1 ZINC000297227160 512067653 /nfs/dbraw/zinc/06/76/53/512067653.db2.gz RDYCUVQOKADOPR-UHFFFAOYSA-N 1 0 359.426 2.691 20 5 FFBDRO O=C(NC1CC[NH+](C2CCC2)CC1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000297241276 512073466 /nfs/dbraw/zinc/07/34/66/512073466.db2.gz SJTIDFQZIUPREN-UHFFFAOYSA-N 1 0 369.425 2.527 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(OC[C@@H]2CCOC2)CC1 ZINC000373778121 512500040 /nfs/dbraw/zinc/50/00/40/512500040.db2.gz RCDQJWACBKUGBP-CQSZACIVSA-N 1 0 350.415 2.621 20 5 FFBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N1CCC(C[NH+]2CCCC2)CC1 ZINC000377921850 512513452 /nfs/dbraw/zinc/51/34/52/512513452.db2.gz WHHSNUBVHZINJC-UHFFFAOYSA-N 1 0 360.458 2.655 20 5 FFBDRO C[C@H]([NH2+][C@@H]1CCO[C@@H]1C1CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000373811851 512518172 /nfs/dbraw/zinc/51/81/72/512518172.db2.gz GGXKNUOBTARGRJ-TZTCFGBESA-N 1 0 353.806 2.732 20 5 FFBDRO COc1ccc(NC(=O)CC[N@@H+]2CCOC[C@H]2CC(C)C)c([N+](=O)[O-])c1 ZINC000411277650 512557719 /nfs/dbraw/zinc/55/77/19/512557719.db2.gz IVKZNWKZSMWYHL-CQSZACIVSA-N 1 0 365.430 2.679 20 5 FFBDRO COc1ccc(NC(=O)CC[N@@H+]2CCOC[C@@H]2CC(C)C)c([N+](=O)[O-])c1 ZINC000411277648 512557860 /nfs/dbraw/zinc/55/78/60/512557860.db2.gz IVKZNWKZSMWYHL-AWEZNQCLSA-N 1 0 365.430 2.679 20 5 FFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000369708255 512565232 /nfs/dbraw/zinc/56/52/32/512565232.db2.gz AQFLDBIPRADGPC-INIZCTEOSA-N 1 0 354.410 2.645 20 5 FFBDRO C[C@H]([NH2+]CC(=O)N[C@H]1CCOc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000374498486 512860475 /nfs/dbraw/zinc/86/04/75/512860475.db2.gz XLQBSCZKKBLWRE-GUYCJALGSA-N 1 0 355.394 2.885 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N[C@@H]3CC34CC[NH2+]CC4)cc2[N+](=O)[O-])CC1 ZINC000368377754 512921225 /nfs/dbraw/zinc/92/12/25/512921225.db2.gz NZDSYVFALRDYDL-GOSISDBHSA-N 1 0 372.469 2.703 20 5 FFBDRO Cn1cc([C@@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)c2ccccc2)cn1 ZINC000374623301 512922720 /nfs/dbraw/zinc/92/27/20/512922720.db2.gz NEVCNEUFXSAFGZ-MOPGFXCFSA-N 1 0 352.394 2.741 20 5 FFBDRO O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000368386174 512924400 /nfs/dbraw/zinc/92/44/00/512924400.db2.gz VAEDVGSRDLNRHQ-TZMCWYRMSA-N 1 0 358.423 2.542 20 5 FFBDRO C[C@H]1CN(c2nc3ccccc3cc2[N+](=O)[O-])CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000370446384 512939344 /nfs/dbraw/zinc/93/93/44/512939344.db2.gz CYYYSMVSIASOJN-YJBOKZPZSA-N 1 0 369.469 2.605 20 5 FFBDRO C[C@]1(CNC(=O)c2cccc([N+](=O)[O-])c2N)CCC[N@@H+]1Cc1ccccc1 ZINC000397919618 512950231 /nfs/dbraw/zinc/95/02/31/512950231.db2.gz PCRURJYWWQGKBI-HXUWFJFHSA-N 1 0 368.437 2.962 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2Cc1ccc([N+](=O)[O-])cc1Cl ZINC000374695360 512959854 /nfs/dbraw/zinc/95/98/54/512959854.db2.gz FKVAHQZXROFEJP-XYPHTWIQSA-N 1 0 353.850 2.932 20 5 FFBDRO CC[NH+]1CCC(CCNC(=O)Cc2c(F)c(OC)ccc2[N+](=O)[O-])CC1 ZINC000412142466 512976336 /nfs/dbraw/zinc/97/63/36/512976336.db2.gz HQZWIKHWSSIETR-UHFFFAOYSA-N 1 0 367.421 2.523 20 5 FFBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000408217945 513023725 /nfs/dbraw/zinc/02/37/25/513023725.db2.gz GOKMZJJVMQWLQY-FMKPAKJESA-N 1 0 367.471 2.621 20 5 FFBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000368610446 513023962 /nfs/dbraw/zinc/02/39/62/513023962.db2.gz CHEVBCSSYJJOJF-HOCLYGCPSA-N 1 0 354.410 2.881 20 5 FFBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000368610444 513024604 /nfs/dbraw/zinc/02/46/04/513024604.db2.gz CHEVBCSSYJJOJF-GDBMZVCRSA-N 1 0 354.410 2.881 20 5 FFBDRO C[C@H](NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000412362204 513053740 /nfs/dbraw/zinc/05/37/40/513053740.db2.gz GTLUGNIOYIWIQO-GUYCJALGSA-N 1 0 363.483 2.990 20 5 FFBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1 ZINC000412371749 513056757 /nfs/dbraw/zinc/05/67/57/513056757.db2.gz YQOCRIFTQOZLOO-HLULTAIVSA-N 1 0 357.454 2.887 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H](c2ccccc2)[C@@H]2CCOC2)c1 ZINC000374983166 513097093 /nfs/dbraw/zinc/09/70/93/513097093.db2.gz CEVVSUGWECPMJR-POAQFYNOSA-N 1 0 372.421 2.702 20 5 FFBDRO CC(C)c1ccc(C(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000439500929 513128936 /nfs/dbraw/zinc/12/89/36/513128936.db2.gz CCZBMXTZFDWLRD-INIZCTEOSA-N 1 0 363.458 2.541 20 5 FFBDRO [NH3+]C[C@H]1CN(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)CCO1 ZINC000415183932 513137488 /nfs/dbraw/zinc/13/74/88/513137488.db2.gz CUAMXBKNDPWEQO-KRWDZBQOSA-N 1 0 372.381 2.579 20 5 FFBDRO Cc1nc(NCC2([N@@H+]3CCOC(C)(C)C3)CCCCC2)ncc1[N+](=O)[O-] ZINC000450325524 513145250 /nfs/dbraw/zinc/14/52/50/513145250.db2.gz DMZBBDWTYWKZAV-UHFFFAOYSA-N 1 0 363.462 2.919 20 5 FFBDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000439697706 513166751 /nfs/dbraw/zinc/16/67/51/513166751.db2.gz QCHKVPYRPREYJL-AWEZNQCLSA-N 1 0 359.430 2.711 20 5 FFBDRO Cc1ccc(NCCCNC(=O)NCCC[C@H]2CCC[NH2+]2)c([N+](=O)[O-])c1 ZINC000417713147 513176286 /nfs/dbraw/zinc/17/62/86/513176286.db2.gz GUJCPMYTQBARRY-OAHLLOKOSA-N 1 0 363.462 2.537 20 5 FFBDRO C[C@H]1CN(c2nccc3cc([N+](=O)[O-])ccc32)CC[N@@H+]1C1CCN(C)CC1 ZINC000450423263 513188397 /nfs/dbraw/zinc/18/83/97/513188397.db2.gz WZPMYUZVYPRDRF-HNNXBMFYSA-N 1 0 369.469 2.748 20 5 FFBDRO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000433957460 513198169 /nfs/dbraw/zinc/19/81/69/513198169.db2.gz AVCVCZUFTGMHLM-SFHVURJKSA-N 1 0 358.442 2.679 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCCC[NH+]1CCCCC1 ZINC000439904044 513206969 /nfs/dbraw/zinc/20/69/69/513206969.db2.gz RXAHFDJRVBSZIJ-UHFFFAOYSA-N 1 0 350.419 2.991 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000428959520 513233030 /nfs/dbraw/zinc/23/30/30/513233030.db2.gz YDTSWUVZSIQEKI-SRVKXCTJSA-N 1 0 355.822 2.520 20 5 FFBDRO CC(C)C[C@@H](C[NH+](C)C)NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000440089059 513244535 /nfs/dbraw/zinc/24/45/35/513244535.db2.gz QPZXTCWEUVRRQD-LBPRGKRZSA-N 1 0 363.867 2.503 20 5 FFBDRO Cc1c(NC(=O)CCN2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000429044408 513266393 /nfs/dbraw/zinc/26/63/93/513266393.db2.gz UHWNZPVDCTYUHB-QMTMVMCOSA-N 1 0 374.485 2.894 20 5 FFBDRO Cc1cc(NC[C@H]2CCC[N@@H+]2CCCO)c(Br)cc1[N+](=O)[O-] ZINC000450601659 513268864 /nfs/dbraw/zinc/26/88/64/513268864.db2.gz ZCGCTCWFAMQPAP-GFCCVEGCSA-N 1 0 372.263 2.924 20 5 FFBDRO C[C@H](C[NH+]1CCCCCC1)NC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000450743233 513322406 /nfs/dbraw/zinc/32/24/06/513322406.db2.gz GGUUUUVGFZTXFZ-OAHLLOKOSA-N 1 0 371.441 2.775 20 5 FFBDRO CC(C)(C)CC(=O)N1CCC([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000446825880 513345933 /nfs/dbraw/zinc/34/59/33/513345933.db2.gz FHQLHAJSXBQNEF-UHFFFAOYSA-N 1 0 373.457 2.988 20 5 FFBDRO Cc1c(NC(=O)N[C@H]2CC[C@@H](C[NH3+])C2)cc(Br)cc1[N+](=O)[O-] ZINC000415660298 513366532 /nfs/dbraw/zinc/36/65/32/513366532.db2.gz POALEXOYURYYBS-KOLCDFICSA-N 1 0 371.235 2.915 20 5 FFBDRO CCCC[C@@H](C[NH3+])NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000418087785 513367480 /nfs/dbraw/zinc/36/74/80/513367480.db2.gz IEKKYQNDUFPBRU-LBPRGKRZSA-N 1 0 362.352 2.930 20 5 FFBDRO Cc1c(NC(=O)N[C@H](C[NH3+])C2CC2)cc(Br)cc1[N+](=O)[O-] ZINC000415665781 513369495 /nfs/dbraw/zinc/36/94/95/513369495.db2.gz VSXKMIVEOOJYAM-LLVKDONJSA-N 1 0 357.208 2.525 20 5 FFBDRO Cc1c(NC(=O)N2CC[NH2+]C(C)(C)C2)cc(Br)cc1[N+](=O)[O-] ZINC000415668028 513369772 /nfs/dbraw/zinc/36/97/72/513369772.db2.gz YXXZWRVJABWONK-UHFFFAOYSA-N 1 0 371.235 2.881 20 5 FFBDRO C[N@@H+]1CCN(CCNc2ccc(Br)cc2[N+](=O)[O-])CC1(C)C ZINC000440647638 513370563 /nfs/dbraw/zinc/37/05/63/513370563.db2.gz HXQXBXUPEKOKMB-UHFFFAOYSA-N 1 0 371.279 2.795 20 5 FFBDRO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000415687883 513380850 /nfs/dbraw/zinc/38/08/50/513380850.db2.gz BOHBHODOODRAFK-AWEZNQCLSA-N 1 0 369.219 2.575 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000421785610 513426635 /nfs/dbraw/zinc/42/66/35/513426635.db2.gz LEASWFGJAQZBEA-INIZCTEOSA-N 1 0 361.442 2.539 20 5 FFBDRO C[NH+](C)CCOC1CCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000413129745 513469242 /nfs/dbraw/zinc/46/92/42/513469242.db2.gz BVMUZNRSVNMAAL-UHFFFAOYSA-N 1 0 362.352 2.556 20 5 FFBDRO Cc1ccc([C@H](C)NC(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)cc1[N+](=O)[O-] ZINC000415953807 513497098 /nfs/dbraw/zinc/49/70/98/513497098.db2.gz GIJSIGBBIJZSOH-WFASDCNBSA-N 1 0 369.425 2.997 20 5 FFBDRO C[C@@H](NC(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2)c1cccc([N+](=O)[O-])c1 ZINC000415959226 513499745 /nfs/dbraw/zinc/49/97/45/513499745.db2.gz MLKSDASJFPYZIB-RISCZKNCSA-N 1 0 355.398 2.689 20 5 FFBDRO Cc1cccc(OC[C@H](O)C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000447543216 513504133 /nfs/dbraw/zinc/50/41/33/513504133.db2.gz LDQVZRXBAMLMPK-NJAFHUGGSA-N 1 0 374.441 2.613 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCC[C@H]([C@H]4CCOC4)C3)o2)cc1 ZINC000441205332 513513006 /nfs/dbraw/zinc/51/30/06/513513006.db2.gz OGZIFMWTPNFVLU-GJZGRUSLSA-N 1 0 358.398 2.893 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCC[C@@H]([C@@H]4CCOC4)C3)o2)cc1 ZINC000441205334 513513210 /nfs/dbraw/zinc/51/32/10/513513210.db2.gz OGZIFMWTPNFVLU-HUUCEWRRSA-N 1 0 358.398 2.893 20 5 FFBDRO COc1cc(NC(=O)C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)cc(OC)c1 ZINC000425355195 513526684 /nfs/dbraw/zinc/52/66/84/513526684.db2.gz NZGGHWPACVMRKZ-UHFFFAOYSA-N 1 0 359.382 2.649 20 5 FFBDRO C[C@@H]([NH3+])c1ccc(CNC(=O)N(C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000418497279 513532865 /nfs/dbraw/zinc/53/28/65/513532865.db2.gz VYVKTQALXBBDIF-CQSZACIVSA-N 1 0 356.426 2.999 20 5 FFBDRO CN(CCCN1C(=O)c2ccccc2C1=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000425373400 513533862 /nfs/dbraw/zinc/53/38/62/513533862.db2.gz PWIVZQOYMUCDOH-UHFFFAOYSA-N 1 0 371.368 2.852 20 5 FFBDRO CCO[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425436846 513564985 /nfs/dbraw/zinc/56/49/85/513564985.db2.gz XGNSWALZCZLNCP-TZMCWYRMSA-N 1 0 359.220 2.641 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+](C[C@H]2CCCO2)C2CCCC2)c1 ZINC000441438329 513568023 /nfs/dbraw/zinc/56/80/23/513568023.db2.gz JMKKKFVKAHQLBA-IEBWSBKVSA-N 1 0 364.442 2.758 20 5 FFBDRO Cn1ccnc1CN(Cc1csc([N+](=O)[O-])c1)[C@H]1CC12CC[NH2+]CC2 ZINC000435430976 513582337 /nfs/dbraw/zinc/58/23/37/513582337.db2.gz GIXBPUYJEITJOC-AWEZNQCLSA-N 1 0 361.471 2.534 20 5 FFBDRO CCc1ccccc1[C@H]([NH3+])CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000418644848 513590704 /nfs/dbraw/zinc/59/07/04/513590704.db2.gz CQWUZMAGSSHZGC-LJQANCHMSA-N 1 0 368.437 2.925 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000416136775 513591097 /nfs/dbraw/zinc/59/10/97/513591097.db2.gz UNIOJYNEHUAQJY-KRWDZBQOSA-N 1 0 357.410 2.913 20 5 FFBDRO CC1(C)CCC[N@H+](CCNC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000451215950 513599384 /nfs/dbraw/zinc/59/93/84/513599384.db2.gz KIKGUIWHZJWMKN-UHFFFAOYSA-N 1 0 361.442 2.796 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C1CCOCC1)C1(CO)CCC1 ZINC000425532324 513623814 /nfs/dbraw/zinc/62/38/14/513623814.db2.gz BNCYNOHYZGLFDA-GOSISDBHSA-N 1 0 364.442 2.651 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C)nn1C1CC[NH+](C)CC1 ZINC000430439172 513654208 /nfs/dbraw/zinc/65/42/08/513654208.db2.gz OHTARWGOMVNXOK-UHFFFAOYSA-N 1 0 373.413 2.627 20 5 FFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000418784461 513656774 /nfs/dbraw/zinc/65/67/74/513656774.db2.gz GIZQQMYRHCTXRA-IXDOHACOSA-N 1 0 360.458 2.903 20 5 FFBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)NCC3([NH+](C)C)CC3)cc2[N+](=O)[O-])C1 ZINC000416292008 513692638 /nfs/dbraw/zinc/69/26/38/513692638.db2.gz PYPYUMKMIKPFGS-GASCZTMLSA-N 1 0 374.485 2.901 20 5 FFBDRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000419007412 513714370 /nfs/dbraw/zinc/71/43/70/513714370.db2.gz RMTYSHRCJLIIKA-LSDHHAIUSA-N 1 0 356.426 2.548 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCC[C@@H]3[C@@H]3CCC[C@H]3O)o2)cc1 ZINC000451413367 513733712 /nfs/dbraw/zinc/73/37/12/513733712.db2.gz GYWMJTHVVZRYPU-ARFHVFGLSA-N 1 0 358.398 2.770 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H]1C[C@@H](OC(C)C)C1(C)C ZINC000451489072 513783345 /nfs/dbraw/zinc/78/33/45/513783345.db2.gz BSAXARBALMMEPW-JKSUJKDBSA-N 1 0 365.430 2.724 20 5 FFBDRO CO[C@@H]1[C@@H](C)[C@@H]([NH2+]CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1(C)C ZINC000451499104 513790589 /nfs/dbraw/zinc/79/05/89/513790589.db2.gz LMZCWCFTWHJHDR-TZTCFGBESA-N 1 0 355.822 2.836 20 5 FFBDRO CCO[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C[C@H]1C ZINC000451545454 513824221 /nfs/dbraw/zinc/82/42/21/513824221.db2.gz RBCWNEFVYIAMFH-CXAGYDPISA-N 1 0 365.430 2.679 20 5 FFBDRO C[NH+](C)[C@H]1CCN(C(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000436320382 513826507 /nfs/dbraw/zinc/82/65/07/513826507.db2.gz SZRCBJQRVFELQJ-LBPRGKRZSA-N 1 0 371.387 2.736 20 5 FFBDRO O=c1cc(C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)nc2ccccn12 ZINC000451554059 513830489 /nfs/dbraw/zinc/83/04/89/513830489.db2.gz YWUWKWYRMLQBNM-MRXNPFEDSA-N 1 0 364.405 2.982 20 5 FFBDRO C[NH+](C)[C@]1(CNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])CCSC1 ZINC000436396592 513845604 /nfs/dbraw/zinc/84/56/04/513845604.db2.gz ZTLZCHMGSXYCBM-LBPRGKRZSA-N 1 0 350.366 2.858 20 5 FFBDRO CN(C[C@H]1CC[N@H+](C)C1)C(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000436426710 513852046 /nfs/dbraw/zinc/85/20/46/513852046.db2.gz XXBOSNMGUVYIPU-ZDUSSCGKSA-N 1 0 367.424 2.844 20 5 FFBDRO Cc1c(NC(=O)CC[NH2+][C@@H]([C@@H](CO)C2CC2)C2CC2)cccc1[N+](=O)[O-] ZINC000451617371 513868178 /nfs/dbraw/zinc/86/81/78/513868178.db2.gz XSFIRZSTTBXRRJ-HNAYVOBHSA-N 1 0 361.442 2.619 20 5 FFBDRO C[N@H+](CCNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)C1CCCCC1 ZINC000448805001 513907043 /nfs/dbraw/zinc/90/70/43/513907043.db2.gz LVWSDKNYFZAKGG-UHFFFAOYSA-N 1 0 371.441 2.775 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)N1CCCC[C@H]1c1cc[nH]n1 ZINC000451684444 513909403 /nfs/dbraw/zinc/90/94/03/513909403.db2.gz XPPBPIGUKNNDDP-HNNXBMFYSA-N 1 0 366.381 2.871 20 5 FFBDRO C[NH2+]C[C@@H]1CCCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000422723323 513914430 /nfs/dbraw/zinc/91/44/30/513914430.db2.gz QYTMZDCHXRLHKQ-NSHDSACASA-N 1 0 357.863 2.798 20 5 FFBDRO [NH3+]C[C@H]1CCC[C@H]1NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000422849789 513952641 /nfs/dbraw/zinc/95/26/41/513952641.db2.gz CPLYTEXOHNVGTJ-BDJLRTHQSA-N 1 0 353.397 2.678 20 5 FFBDRO CC(C)[C@H]([NH3+])CNC(=O)c1cc(F)cc2c1[nH]c1ccc(F)cc1c2=O ZINC000422858331 513955526 /nfs/dbraw/zinc/95/55/26/513955526.db2.gz ZTZBIWGAGABEFV-OAHLLOKOSA-N 1 0 359.376 2.673 20 5 FFBDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000448934726 513979614 /nfs/dbraw/zinc/97/96/14/513979614.db2.gz WTXJZFZBESZQPJ-HUUCEWRRSA-N 1 0 361.442 2.937 20 5 FFBDRO C[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)[C@@H](CO)CC(C)(C)C ZINC000451791518 513983210 /nfs/dbraw/zinc/98/32/10/513983210.db2.gz QAXLMMDXGCFFDC-CQSZACIVSA-N 1 0 365.430 2.622 20 5 FFBDRO CN1CCC[C@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC000451860372 514026811 /nfs/dbraw/zinc/02/68/11/514026811.db2.gz DPLXGRGUSHFTOG-APWZRJJASA-N 1 0 371.437 2.895 20 5 FFBDRO CN1CCC[C@@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC000451860374 514027022 /nfs/dbraw/zinc/02/70/22/514027022.db2.gz DPLXGRGUSHFTOG-QFBILLFUSA-N 1 0 371.437 2.895 20 5 FFBDRO C[C@H]1CC[N@H+](C)CCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431943343 514048098 /nfs/dbraw/zinc/04/80/98/514048098.db2.gz VRGJUDGJLHOTPZ-JTQLQIEISA-N 1 0 356.220 2.524 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC(C)(C)CCC[NH+](C)C)cc1C ZINC000451894498 514050975 /nfs/dbraw/zinc/05/09/75/514050975.db2.gz RTEVGTIKJYVEBW-UHFFFAOYSA-N 1 0 357.476 2.610 20 5 FFBDRO CCC[NH2+][C@H](C)C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000449068552 514059893 /nfs/dbraw/zinc/05/98/93/514059893.db2.gz BRKOIIYTJCKUJB-SNVBAGLBSA-N 1 0 362.352 2.530 20 5 FFBDRO CCc1cc(N2CC[C@@H]3C[NH2+]C[C@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000420253128 514061440 /nfs/dbraw/zinc/06/14/40/514061440.db2.gz DBHXYXACFOLGRN-CABCVRRESA-N 1 0 353.426 2.660 20 5 FFBDRO O=C(c1ccccc1)c1ccc(N2CC[C@@H]3C[NH2+]C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000420259928 514063133 /nfs/dbraw/zinc/06/31/33/514063133.db2.gz NCSPFDNWPJTBGY-SJORKVTESA-N 1 0 351.406 2.872 20 5 FFBDRO Cc1ccc(N2CCC[C@H]([NH2+][C@H](C)Cc3ccccc3[N+](=O)[O-])C2)nn1 ZINC000449119715 514079843 /nfs/dbraw/zinc/07/98/43/514079843.db2.gz APBLHNYDGLBWPH-WBVHZDCISA-N 1 0 355.442 2.883 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](Cc1ccccc1)C(=O)N(C)C ZINC000449121171 514080020 /nfs/dbraw/zinc/08/00/20/514080020.db2.gz GHYYQLUAWMQHNZ-CRAIPNDOSA-N 1 0 355.438 2.815 20 5 FFBDRO CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])ncn1 ZINC000449125362 514081489 /nfs/dbraw/zinc/08/14/89/514081489.db2.gz RWOPJXHIJQSLMM-GOEBONIOSA-N 1 0 370.457 2.616 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCN1C(=O)COc2ccccc21 ZINC000449172817 514101574 /nfs/dbraw/zinc/10/15/74/514101574.db2.gz MMHWHXWCDHUPHN-HNNXBMFYSA-N 1 0 369.421 2.931 20 5 FFBDRO CC[NH+](CC)[C@H]1CCN(C(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000437184778 514110033 /nfs/dbraw/zinc/11/00/33/514110033.db2.gz DOMCXXUFKCTTFL-OCCSQVGLSA-N 1 0 369.849 2.958 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCN(c2cccnc2)C1=O ZINC000449238210 514127219 /nfs/dbraw/zinc/12/72/19/514127219.db2.gz FQJUXRREQOIODC-YOEHRIQHSA-N 1 0 354.410 2.706 20 5 FFBDRO CN(c1ccccc1)c1ccc(C[NH2+]C[C@H]2CNC(=O)C2)cc1[N+](=O)[O-] ZINC000414479055 514144581 /nfs/dbraw/zinc/14/45/81/514144581.db2.gz GXPINGUCKKBTLF-HNNXBMFYSA-N 1 0 354.410 2.588 20 5 FFBDRO CCC[NH2+]CCNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000423473473 514148024 /nfs/dbraw/zinc/14/80/24/514148024.db2.gz YHXSQJAFTQSQMO-UHFFFAOYSA-N 1 0 359.376 2.689 20 5 FFBDRO Cc1ccc(S(=O)(=O)N[C@H](CCC[NH3+])c2ccccc2)c([N+](=O)[O-])c1 ZINC000420469963 514162079 /nfs/dbraw/zinc/16/20/79/514162079.db2.gz WKDICURWQYZMRY-OAHLLOKOSA-N 1 0 363.439 2.662 20 5 FFBDRO O=[N+]([O-])c1ccc(CC[N@H+](CCN2CCOCC2)Cc2ccco2)cc1 ZINC000452052007 514163447 /nfs/dbraw/zinc/16/34/47/514163447.db2.gz VEJYTGIJLDFHFD-UHFFFAOYSA-N 1 0 359.426 2.565 20 5 FFBDRO C[C@H]1C[C@H](C)CN(c2ccc(C(=O)NCC[C@H]3CCC[NH2+]3)cc2[N+](=O)[O-])C1 ZINC000444256882 514169056 /nfs/dbraw/zinc/16/90/56/514169056.db2.gz APQFRQFHVVBDLV-YQQAZPJKSA-N 1 0 374.485 2.949 20 5 FFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CS(=O)(=O)c3ccccc32)c(Cl)c1 ZINC000449359841 514180083 /nfs/dbraw/zinc/18/00/83/514180083.db2.gz RONGDAHWNXLTLI-GFCCVEGCSA-N 1 0 366.826 2.909 20 5 FFBDRO C[C@@H]1C[C@H](NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)CC[NH2+]1 ZINC000423627611 514188252 /nfs/dbraw/zinc/18/82/52/514188252.db2.gz UXIYSPVQFWZOPA-VXGBXAGGSA-N 1 0 353.397 2.691 20 5 FFBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCCN1CCCO ZINC000449386006 514189667 /nfs/dbraw/zinc/18/96/67/514189667.db2.gz HBSZHWGOTIQTDG-UHOSZYNNSA-N 1 0 361.486 2.742 20 5 FFBDRO NC(=O)c1cccc([N+](=O)[O-])c1NC1CC[NH+](Cc2ccccc2)CC1 ZINC000420591503 514194653 /nfs/dbraw/zinc/19/46/53/514194653.db2.gz VXHGPDNIUDOFIB-UHFFFAOYSA-N 1 0 354.410 2.770 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H](Cc2ccccc2)c2ccccc2)c1 ZINC000437639231 514200484 /nfs/dbraw/zinc/20/04/84/514200484.db2.gz ILAYRHWAKCEWOE-VQTJNVASSA-N 1 0 366.421 2.726 20 5 FFBDRO Cc1ccc([C@@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c2ccccc2)cc1 ZINC000437647250 514202641 /nfs/dbraw/zinc/20/26/41/514202641.db2.gz RHBOJPVNKVFLQE-PMACEKPBSA-N 1 0 366.421 2.840 20 5 FFBDRO COc1ccc(CNC(=O)N(CCC[NH3+])Cc2ccccc2)cc1[N+](=O)[O-] ZINC000417193769 514222839 /nfs/dbraw/zinc/22/28/39/514222839.db2.gz LYBMUOVNPLVFIC-UHFFFAOYSA-N 1 0 372.425 2.664 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000414657752 514225074 /nfs/dbraw/zinc/22/50/74/514225074.db2.gz PDIYRFLPUYHHAC-BBRMVZONSA-N 1 0 362.430 2.989 20 5 FFBDRO C[C@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])C(=O)NCCc1ccccc1 ZINC000449578235 514260549 /nfs/dbraw/zinc/26/05/49/514260549.db2.gz JKFHJGPUJCHGNG-BPLPYTOXSA-N 1 0 353.422 2.945 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000437950745 514274959 /nfs/dbraw/zinc/27/49/59/514274959.db2.gz VWIDPNWUALPCEP-UNEWFSDZSA-N 1 0 373.409 2.665 20 5 FFBDRO CCOc1cc(NC(=O)N2C[C@H](C[NH3+])C[C@H]2C)c([N+](=O)[O-])cc1OCC ZINC000414756198 514276540 /nfs/dbraw/zinc/27/65/40/514276540.db2.gz IZKNBUNPMVZDAN-NEPJUHHUSA-N 1 0 366.418 2.593 20 5 FFBDRO [NH3+][C@H]1CCC[C@@H](CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000449640864 514276650 /nfs/dbraw/zinc/27/66/50/514276650.db2.gz SYQTVJGGMVKDSE-CVEARBPZSA-N 1 0 363.461 2.788 20 5 FFBDRO CCOc1cc(NC(=O)N2CCC[C@H]2C[NH2+]C)c([N+](=O)[O-])cc1OCC ZINC000414760631 514277736 /nfs/dbraw/zinc/27/77/36/514277736.db2.gz RDTFLNNLBBQOJM-LBPRGKRZSA-N 1 0 366.418 2.608 20 5 FFBDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000438022928 514289712 /nfs/dbraw/zinc/28/97/12/514289712.db2.gz ZCODOCYHLWJOGL-SJLPKXTDSA-N 1 0 358.442 2.896 20 5 FFBDRO CS(=O)(=O)C1(C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CCC1 ZINC000417329939 514298080 /nfs/dbraw/zinc/29/80/80/514298080.db2.gz KJZGRLDWLAWGEY-INIZCTEOSA-N 1 0 352.456 2.919 20 5 FFBDRO [NH3+]C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)C1CCCC1 ZINC000423972073 514315571 /nfs/dbraw/zinc/31/55/71/514315571.db2.gz ZGBKXDLNLJZQDY-CQSZACIVSA-N 1 0 370.247 2.534 20 5 FFBDRO C[NH+](C)C1CCC(NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000420840308 514330458 /nfs/dbraw/zinc/33/04/58/514330458.db2.gz UFCWTXBXFIBSPD-UHFFFAOYSA-N 1 0 354.838 2.920 20 5 FFBDRO C[C@H]1CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C[C@@H]1C[NH3+] ZINC000424003712 514333010 /nfs/dbraw/zinc/33/30/10/514333010.db2.gz DWLBMARRGJPBGW-HOTGVXAUSA-N 1 0 363.461 2.598 20 5 FFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000424011192 514338336 /nfs/dbraw/zinc/33/83/36/514338336.db2.gz MOCRSYCPQJEOQL-LSDHHAIUSA-N 1 0 373.384 2.700 20 5 FFBDRO CCC[NH+]1CCC(NC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000427925409 514348022 /nfs/dbraw/zinc/34/80/22/514348022.db2.gz UDQKOCQHPNLOIB-UHFFFAOYSA-N 1 0 372.425 2.512 20 5 FFBDRO CCOc1ccc(C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000424039963 514354303 /nfs/dbraw/zinc/35/43/03/514354303.db2.gz PVPZPAVBSBOGDB-GOEBONIOSA-N 1 0 373.384 2.700 20 5 FFBDRO [NH3+]C1(CNC(=O)CCc2cccc([N+](=O)[O-])c2)C2CC3CC(C2)CC1C3 ZINC000424045513 514356918 /nfs/dbraw/zinc/35/69/18/514356918.db2.gz QUPGEZRNJUTKHJ-UHFFFAOYSA-N 1 0 357.454 2.797 20 5 FFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000424051227 514359504 /nfs/dbraw/zinc/35/95/04/514359504.db2.gz INGIGPXODIXJCV-CRWXNKLISA-N 1 0 351.472 2.907 20 5 FFBDRO C[C@@H]1OCC[C@]1(O)C[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000433174817 514405516 /nfs/dbraw/zinc/40/55/16/514405516.db2.gz MBEWFRKSIHKZEV-YWZLYKJASA-N 1 0 371.437 2.992 20 5 FFBDRO CC1CC[NH+](C[C@@H](O)CN[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000433181197 514408423 /nfs/dbraw/zinc/40/84/23/514408423.db2.gz XGKJKDZNBQVWKG-QFBILLFUSA-N 1 0 361.486 3.000 20 5 FFBDRO O=C(CCCc1ccccc1)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000424184314 514409656 /nfs/dbraw/zinc/40/96/56/514409656.db2.gz DPESHOQTTNVPAX-UHFFFAOYSA-N 1 0 359.401 2.963 20 5 FFBDRO CN(c1ccccc1)c1ccc(CN2CCCO[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000415106998 514447180 /nfs/dbraw/zinc/44/71/80/514447180.db2.gz KHGVXKPCKNJVSG-GOSISDBHSA-N 1 0 370.453 2.912 20 5 FFBDRO COc1cc(CN2CC[C@@H](C)[C@@H](C[NH3+])C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000415132392 514458956 /nfs/dbraw/zinc/45/89/56/514458956.db2.gz UCNCEBFSJDLQEB-YPMHNXCESA-N 1 0 373.400 2.664 20 5 FFBDRO CC[NH+]1CCC(CCNC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)CC1 ZINC000450001663 514461120 /nfs/dbraw/zinc/46/11/20/514461120.db2.gz ACHFARUNTFQWCM-UHFFFAOYSA-N 1 0 371.441 2.837 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@@H](O)Cc2cccc(F)c2)n1 ZINC000453226401 514573317 /nfs/dbraw/zinc/57/33/17/514573317.db2.gz XSDFIOQKRKGPHH-GVDBMIGSSA-N 1 0 362.405 2.607 20 5 FFBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000453343519 514604001 /nfs/dbraw/zinc/60/40/01/514604001.db2.gz NQFLLTUCFXFHBY-KANFNMMFSA-N 1 0 359.470 2.759 20 5 FFBDRO Cc1cc(NC(=O)CNc2ccccc2[N+](=O)[O-])ccc1OCC[NH+](C)C ZINC000458186968 514611326 /nfs/dbraw/zinc/61/13/26/514611326.db2.gz ASIMQMIZXOSBIQ-UHFFFAOYSA-N 1 0 372.425 2.894 20 5 FFBDRO COC(=O)CC1CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000497728624 514612169 /nfs/dbraw/zinc/61/21/69/514612169.db2.gz XKIVIBLQCKUURL-UHFFFAOYSA-N 1 0 363.414 2.507 20 5 FFBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000479937363 514783430 /nfs/dbraw/zinc/78/34/30/514783430.db2.gz CKDXNMBDWSRFLI-QWHCGFSZSA-N 1 0 369.849 2.816 20 5 FFBDRO CC(C)[C@@H]1CN(C(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000489315717 514792880 /nfs/dbraw/zinc/79/28/80/514792880.db2.gz REZQVKYPECBJOV-WFASDCNBSA-N 1 0 369.849 2.814 20 5 FFBDRO CC[C@H](NC(=O)NC[C@]1([NH+](C)C)CCSC1)c1cccc([N+](=O)[O-])c1 ZINC000489503322 514874974 /nfs/dbraw/zinc/87/49/74/514874974.db2.gz XZQZQZHMWYSSIE-DOTOQJQBSA-N 1 0 366.487 2.782 20 5 FFBDRO C[NH+](C)CCOC1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000476195340 514944790 /nfs/dbraw/zinc/94/47/90/514944790.db2.gz QEDHGGWYFNQEJY-UHFFFAOYSA-N 1 0 359.373 2.743 20 5 FFBDRO CC[N@@H+]1C[C@H](C)N(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C[C@@H]1C ZINC000498555471 514966391 /nfs/dbraw/zinc/96/63/91/514966391.db2.gz QTCVJEMRQKOVCQ-HOTGVXAUSA-N 1 0 374.485 2.752 20 5 FFBDRO O=[N+]([O-])c1cccc2ncnc(NC[C@@H]3CC[N@H+](Cc4ccccc4)C3)c21 ZINC000480506437 514979960 /nfs/dbraw/zinc/97/99/60/514979960.db2.gz OJQUMCSISVCBOB-INIZCTEOSA-N 1 0 363.421 2.894 20 5 FFBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000458645591 514984823 /nfs/dbraw/zinc/98/48/23/514984823.db2.gz XPLOMMGFAGOTSG-HNNXBMFYSA-N 1 0 368.865 2.915 20 5 FFBDRO CC(C)[NH+](CCN(C)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])C(C)C ZINC000503278575 514989312 /nfs/dbraw/zinc/98/93/12/514989312.db2.gz DNMCMTBJBGUQOT-UHFFFAOYSA-N 1 0 357.476 2.553 20 5 FFBDRO CNC(=O)[C@H](CCSC)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000489830544 514991717 /nfs/dbraw/zinc/99/17/17/514991717.db2.gz XULJRNUBTAFQIS-LSDHHAIUSA-N 1 0 351.472 2.775 20 5 FFBDRO C[N@@H+]1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])C2(CCCCC2)C1 ZINC000467469420 515016393 /nfs/dbraw/zinc/01/63/93/515016393.db2.gz WFLDTSRVEDPFLR-UHFFFAOYSA-N 1 0 360.458 2.874 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCC(C)(C)C[NH+]2CCCC2)c1C ZINC000480756270 515071244 /nfs/dbraw/zinc/07/12/44/515071244.db2.gz JCOVNNSHZAODAG-UHFFFAOYSA-N 1 0 369.487 2.612 20 5 FFBDRO C[NH+](C)[C@H](CNc1cc(CN2CCOCC2)ccc1[N+](=O)[O-])c1ccco1 ZINC000472041388 515094877 /nfs/dbraw/zinc/09/48/77/515094877.db2.gz FDWULKXGQRWXFT-GOSISDBHSA-N 1 0 374.441 2.735 20 5 FFBDRO Cc1sc(S(=O)(=O)N[C@@H](C)C[NH+]2CCCCCC2)cc1[N+](=O)[O-] ZINC000476599795 515123970 /nfs/dbraw/zinc/12/39/70/515123970.db2.gz BPMFIUJNULYPMA-NSHDSACASA-N 1 0 361.489 2.508 20 5 FFBDRO CC[NH+](CC)[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)Cc1ccccc1 ZINC000485644427 515125271 /nfs/dbraw/zinc/12/52/71/515125271.db2.gz NYKHNDJSQMJHJC-INIZCTEOSA-N 1 0 370.453 2.860 20 5 FFBDRO O=C(NC1CC1)[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000467977279 515183775 /nfs/dbraw/zinc/18/37/75/515183775.db2.gz AWKIXUNDHHQMJK-GOSISDBHSA-N 1 0 357.385 2.886 20 5 FFBDRO CCOc1cc(N2CCN(c3cc[nH+]cc3OC)CC2)ccc1[N+](=O)[O-] ZINC000481056647 515190515 /nfs/dbraw/zinc/19/05/15/515190515.db2.gz JLEXJIHUDXHCMJ-UHFFFAOYSA-N 1 0 358.398 2.724 20 5 FFBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1cccc(NS(C)(=O)=O)c1 ZINC000468008170 515195180 /nfs/dbraw/zinc/19/51/80/515195180.db2.gz ZWRMWGNBFCOBFK-CYBMUJFWSA-N 1 0 363.439 2.860 20 5 FFBDRO CC[C@@H](C)[NH+]1CCN(C(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000456545333 515246574 /nfs/dbraw/zinc/24/65/74/515246574.db2.gz HPQTXHSYSPTSDH-CQSZACIVSA-N 1 0 371.441 2.552 20 5 FFBDRO CC[C@H](C)[NH+]1CCN(C(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000456545329 515247881 /nfs/dbraw/zinc/24/78/81/515247881.db2.gz HPQTXHSYSPTSDH-AWEZNQCLSA-N 1 0 371.441 2.552 20 5 FFBDRO CCOC(=O)CC(C)(C)[N@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000490626216 515266064 /nfs/dbraw/zinc/26/60/64/515266064.db2.gz IFXOVWSFGYXSEL-UHFFFAOYSA-N 1 0 362.386 2.808 20 5 FFBDRO CCc1n[nH]c(C(=O)N2CC[NH+](C(C)(C)CC(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000456692600 515356919 /nfs/dbraw/zinc/35/69/19/515356919.db2.gz LXOOKTGALYNVDU-UHFFFAOYSA-N 1 0 365.478 2.853 20 5 FFBDRO O=C(NC1CC[NH+](C2CCC2)CC1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000456704733 515366882 /nfs/dbraw/zinc/36/68/82/515366882.db2.gz STAKRBYUMBZEJQ-UHFFFAOYSA-N 1 0 369.425 2.527 20 5 FFBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000468459451 515368250 /nfs/dbraw/zinc/36/82/50/515368250.db2.gz ILKYCMVTPBKMBI-INIZCTEOSA-N 1 0 372.425 2.699 20 5 FFBDRO C[C@@H]1COCCN1CC[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000491069544 515368885 /nfs/dbraw/zinc/36/88/85/515368885.db2.gz YEADQQSUPUSEQR-UZLBHIALSA-N 1 0 355.438 2.995 20 5 FFBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000468473558 515374130 /nfs/dbraw/zinc/37/41/30/515374130.db2.gz YEIKWWJJYHTLBR-KRWDZBQOSA-N 1 0 358.442 2.855 20 5 FFBDRO CCC[C@@H]1CN(c2ccc([N+](=O)[O-])c(OCC)c2)CC[N@@H+]1CCOC ZINC000499640866 515395852 /nfs/dbraw/zinc/39/58/52/515395852.db2.gz KKLHCUWMYPWHES-MRXNPFEDSA-N 1 0 351.447 2.931 20 5 FFBDRO CC(C)(CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)C[NH+]1CCCC1 ZINC000481609902 515400271 /nfs/dbraw/zinc/40/02/71/515400271.db2.gz PDTDPGQFFVFLGD-UHFFFAOYSA-N 1 0 358.442 2.788 20 5 FFBDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000472795809 515402740 /nfs/dbraw/zinc/40/27/40/515402740.db2.gz WAIHIQOHSNKQFT-INIZCTEOSA-N 1 0 350.419 2.559 20 5 FFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCN(CCOC)C1 ZINC000504906484 515406008 /nfs/dbraw/zinc/40/60/08/515406008.db2.gz YTTGAHSVCXZNDR-LSDHHAIUSA-N 1 0 353.488 2.776 20 5 FFBDRO CC[C@@H](C)[NH2+][C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccco1 ZINC000510363007 515516066 /nfs/dbraw/zinc/51/60/66/515516066.db2.gz JWPZDOOHQRRIEJ-GHMZBOCLSA-N 1 0 373.456 2.657 20 5 FFBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000486596293 515552789 /nfs/dbraw/zinc/55/27/89/515552789.db2.gz GEAWPUMKTVXPCL-LBPRGKRZSA-N 1 0 355.385 2.606 20 5 FFBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])C[C@H]1C ZINC000500122177 515599830 /nfs/dbraw/zinc/59/98/30/515599830.db2.gz OALMKLUFYQOBMM-VXGBXAGGSA-N 1 0 367.471 2.880 20 5 FFBDRO CC(C)(C[NH+]1CCCC1)NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000457057143 515613068 /nfs/dbraw/zinc/61/30/68/515613068.db2.gz USXDOKIDIXQDJY-UHFFFAOYSA-N 1 0 370.247 2.962 20 5 FFBDRO Cc1c(CN2CCN(C(=O)c3cscn3)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000459531247 515623543 /nfs/dbraw/zinc/62/35/43/515623543.db2.gz ZUXCGDRAXWNXED-LBPRGKRZSA-N 1 0 360.439 2.706 20 5 FFBDRO CN(C(=O)c1cccc([N+](=O)[O-])c1N)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457094083 515641963 /nfs/dbraw/zinc/64/19/63/515641963.db2.gz ZGDQVQPASRAPMU-UHFFFAOYSA-N 1 0 374.363 2.666 20 5 FFBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000457110644 515657420 /nfs/dbraw/zinc/65/74/20/515657420.db2.gz HZDUORODRDHWOM-LBPRGKRZSA-N 1 0 370.247 2.912 20 5 FFBDRO Cn1c(C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)ccc1[N+](=O)[O-] ZINC000500302984 515660072 /nfs/dbraw/zinc/66/00/72/515660072.db2.gz LYLKKHPDJITYRA-CYBMUJFWSA-N 1 0 362.455 2.637 20 5 FFBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3C[C@H](C)[NH2+]C[C@@H]3C)cc2[N+](=O)[O-])C1 ZINC000505850288 515696139 /nfs/dbraw/zinc/69/61/39/515696139.db2.gz FZAAXMNOHJIVNL-FZKCQIBNSA-N 1 0 374.485 2.900 20 5 FFBDRO O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000487091150 515754837 /nfs/dbraw/zinc/75/48/37/515754837.db2.gz ZETOPVILTNXGLF-KRWDZBQOSA-N 1 0 353.422 2.889 20 5 FFBDRO COc1cc(C[NH2+][C@]2(C)CCO[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000494248397 515782476 /nfs/dbraw/zinc/78/24/76/515782476.db2.gz RGWFQDBPCDJNPY-QLJPJBMISA-N 1 0 360.357 2.904 20 5 FFBDRO COc1cc(C[N@@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)c([N+](=O)[O-])cc1OC ZINC000459754420 515787847 /nfs/dbraw/zinc/78/78/47/515787847.db2.gz MXKBAHZGCSZPSX-DOTOQJQBSA-N 1 0 364.442 2.985 20 5 FFBDRO C[C@H](C[N@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000459812631 515823711 /nfs/dbraw/zinc/82/37/11/515823711.db2.gz RZHREPVHYGZXIU-OLZOCXBDSA-N 1 0 365.430 2.831 20 5 FFBDRO Cc1ccc([C@@H](C)[NH2+]CCC(=O)NCC(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000511200803 515826337 /nfs/dbraw/zinc/82/63/37/515826337.db2.gz VDKGZYLQFQRDLK-OAHLLOKOSA-N 1 0 369.421 2.943 20 5 FFBDRO C[C@H](C[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000459818738 515827874 /nfs/dbraw/zinc/82/78/74/515827874.db2.gz YNLACTPQWUMUCG-OLZOCXBDSA-N 1 0 365.430 2.831 20 5 FFBDRO O=C(NCC1CC[NH2+]CC1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000457365553 515830501 /nfs/dbraw/zinc/83/05/01/515830501.db2.gz BWMATZXMXVSLOV-UHFFFAOYSA-N 1 0 353.397 2.550 20 5 FFBDRO C[C@H](NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)C1=CC[N@H+](C)CC1 ZINC000511233225 515836391 /nfs/dbraw/zinc/83/63/91/515836391.db2.gz UIMNJEKYBGKIFU-AWEZNQCLSA-N 1 0 358.442 2.919 20 5 FFBDRO C[NH+](C)CCN(Cc1ccccn1)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000500854369 515884693 /nfs/dbraw/zinc/88/46/93/515884693.db2.gz YXZOOOPMIJHKPY-UHFFFAOYSA-N 1 0 367.409 2.675 20 5 FFBDRO CC(C)c1ncc(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)cn1 ZINC000478648420 515907288 /nfs/dbraw/zinc/90/72/88/515907288.db2.gz BSEBJRGVOROHNV-UHFFFAOYSA-N 1 0 352.354 2.946 20 5 FFBDRO COc1ccc(OCC[N@@H+]2CCC[C@H](OCC3CC3)C2)c([N+](=O)[O-])c1 ZINC000494707811 515934016 /nfs/dbraw/zinc/93/40/16/515934016.db2.gz KYMHTPVUYCNCEN-INIZCTEOSA-N 1 0 350.415 2.873 20 5 FFBDRO C[N@H+]1CC=C(CNC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000501081085 515970679 /nfs/dbraw/zinc/97/06/79/515970679.db2.gz FSHFUCSCMIXAHC-UHFFFAOYSA-N 1 0 369.219 2.741 20 5 FFBDRO Cc1ccc(C[N@H+](CCO)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)o1 ZINC000483183939 515973120 /nfs/dbraw/zinc/97/31/20/515973120.db2.gz OJJVKKFDZKNXIC-UHFFFAOYSA-N 1 0 361.398 2.628 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+](CC2CC2)CC2CCC2)cc1 ZINC000483260469 516006692 /nfs/dbraw/zinc/00/66/92/516006692.db2.gz CCEBABPHTCDVKH-UHFFFAOYSA-N 1 0 352.456 2.881 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2C[C@H]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000474369649 516015207 /nfs/dbraw/zinc/01/52/07/516015207.db2.gz JEKNYEBIMNDBBP-IAGOWNOFSA-N 1 0 370.405 2.867 20 5 FFBDRO CN(CC[N@H+](C)C1CC1)C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000474583856 516107789 /nfs/dbraw/zinc/10/77/89/516107789.db2.gz VWQYXCSXZWUBBG-UHFFFAOYSA-N 1 0 355.822 2.570 20 5 FFBDRO C[C@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc2n[nH]cc2c1 ZINC000507267967 516148438 /nfs/dbraw/zinc/14/84/38/516148438.db2.gz OCCATRFGUQUUCJ-KPZWWZAWSA-N 1 0 365.393 2.927 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC(C)(C)C[NH+]1CCCC1 ZINC000455359626 516149007 /nfs/dbraw/zinc/14/90/07/516149007.db2.gz NSZKXWJZWXOKRZ-UHFFFAOYSA-N 1 0 350.419 2.989 20 5 FFBDRO C[NH+](C)[C@H](CNC(=O)NCCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000465450233 516156988 /nfs/dbraw/zinc/15/69/88/516156988.db2.gz ZIPDTJZCPTYAQV-GOSISDBHSA-N 1 0 356.426 2.739 20 5 FFBDRO COc1cc(N2CCN(C/C(C)=C\c3cccc([N+](=O)[O-])c3)CC2)ncn1 ZINC000470207180 516171686 /nfs/dbraw/zinc/17/16/86/516171686.db2.gz BUGRYXCLKXHPRQ-GDNBJRDFSA-N 1 0 369.425 2.619 20 5 FFBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000465535182 516183412 /nfs/dbraw/zinc/18/34/12/516183412.db2.gz WRRZKJAJFQUVNC-HZPDHXFCSA-N 1 0 362.474 2.805 20 5 FFBDRO Cn1cc(-c2ncc(C[NH2+]CCCCc3ccc([N+](=O)[O-])cc3)cn2)cn1 ZINC000474799189 516197755 /nfs/dbraw/zinc/19/77/55/516197755.db2.gz NSYMVQFNNZMGLL-UHFFFAOYSA-N 1 0 366.425 2.898 20 5 FFBDRO CC[NH+](CC)[C@H]1CCN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000488346916 516201656 /nfs/dbraw/zinc/20/16/56/516201656.db2.gz NEEAQPCBFZCZBP-HNNXBMFYSA-N 1 0 368.865 2.916 20 5 FFBDRO C[NH+](C)Cc1ccc(CNC(=O)NCCc2ccccc2[N+](=O)[O-])cc1 ZINC000465624512 516214737 /nfs/dbraw/zinc/21/47/37/516214737.db2.gz DCPDVSZCUXEKBU-UHFFFAOYSA-N 1 0 356.426 2.698 20 5 FFBDRO CCC(CC)(CNC(=O)c1cc([N+](=O)[O-])n[nH]1)[NH2+][C@H](C)c1ccccc1 ZINC000512274755 516220478 /nfs/dbraw/zinc/22/04/78/516220478.db2.gz FASQZMOJTCERHX-CYBMUJFWSA-N 1 0 359.430 2.957 20 5 FFBDRO CC(C)(C)[C@@H]1C[C@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CS1 ZINC000488568141 516262441 /nfs/dbraw/zinc/26/24/41/516262441.db2.gz ARRKJVLKJPZELF-WFASDCNBSA-N 1 0 372.512 2.878 20 5 FFBDRO CCOC(=O)c1cc(N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000488741184 516297967 /nfs/dbraw/zinc/29/79/67/516297967.db2.gz BLZCGOZKVSEBHT-PMUMKWKESA-N 1 0 361.442 2.938 20 5 FFBDRO CC1CC[NH+](CCCCNc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000497539822 516325805 /nfs/dbraw/zinc/32/58/05/516325805.db2.gz FICDVAWWHDRSOX-UHFFFAOYSA-N 1 0 369.487 2.922 20 5 FFBDRO O=C(NCCC[NH2+]C1CCCCC1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000522891980 516342977 /nfs/dbraw/zinc/34/29/77/516342977.db2.gz ITBMGIKZTMEMCW-UHFFFAOYSA-N 1 0 371.441 2.823 20 5 FFBDRO COC(=O)c1cc(C)nc(N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000557639657 516353587 /nfs/dbraw/zinc/35/35/87/516353587.db2.gz SBFBJSLDKKPBOG-CVEARBPZSA-N 1 0 370.409 2.942 20 5 FFBDRO C[C@H]1CCC[C@@](CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)([NH+](C)C)C1 ZINC000517546312 516357337 /nfs/dbraw/zinc/35/73/37/516357337.db2.gz PDATVMUONSMOJW-HNAYVOBHSA-N 1 0 362.474 2.947 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](COC(F)F)C1 ZINC000512822154 516373578 /nfs/dbraw/zinc/37/35/78/516373578.db2.gz FMOOSQJKISBABA-GFCCVEGCSA-N 1 0 357.357 2.793 20 5 FFBDRO C[C@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C1(S(C)(=O)=O)CC1 ZINC000512849487 516384912 /nfs/dbraw/zinc/38/49/12/516384912.db2.gz FOLHRFFSPYZNAD-LBPRGKRZSA-N 1 0 364.423 2.910 20 5 FFBDRO O=C(N1CCCC1)N1CCC[C@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000512885126 516400905 /nfs/dbraw/zinc/40/09/05/516400905.db2.gz KYVSGURXBZJWSL-AFCDSYGPSA-N 1 0 358.442 2.878 20 5 FFBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000540039906 516413724 /nfs/dbraw/zinc/41/37/24/516413724.db2.gz CQYIBJUDKIRRAQ-UHFFFAOYSA-N 1 0 369.425 2.678 20 5 FFBDRO C[NH+](C)[C@@]1(CNc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CCSC1 ZINC000535593750 516415332 /nfs/dbraw/zinc/41/53/32/516415332.db2.gz XRKDCFBNPTZPGS-GOSISDBHSA-N 1 0 358.467 2.928 20 5 FFBDRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000543798926 516433535 /nfs/dbraw/zinc/43/35/35/516433535.db2.gz LEOUBPONJYGFGO-LBPRGKRZSA-N 1 0 359.373 2.902 20 5 FFBDRO CN(C)C(=O)C[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000517767111 516445596 /nfs/dbraw/zinc/44/55/96/516445596.db2.gz OBRHYBXFZULBHR-MRXNPFEDSA-N 1 0 357.410 2.783 20 5 FFBDRO C[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc2n[nH]cc2c1 ZINC000513179425 516504745 /nfs/dbraw/zinc/50/47/45/516504745.db2.gz XUYUMKNRZAWTKZ-LBPRGKRZSA-N 1 0 374.422 2.596 20 5 FFBDRO C[C@@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc2n[nH]cc2c1 ZINC000513204575 516519691 /nfs/dbraw/zinc/51/96/91/516519691.db2.gz GPDSHWOKSUJUQU-MLGOLLRUSA-N 1 0 356.382 2.562 20 5 FFBDRO CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000540359565 516525554 /nfs/dbraw/zinc/52/55/54/516525554.db2.gz CUJUYFQOKLYNQC-IAGOWNOFSA-N 1 0 354.472 2.863 20 5 FFBDRO CC[C@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)C1CCOCC1 ZINC000540526021 516601064 /nfs/dbraw/zinc/60/10/64/516601064.db2.gz OTVAXNYJXFZXNZ-HNNXBMFYSA-N 1 0 365.430 2.727 20 5 FFBDRO CN(C)c1ccccc1C[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000554746483 516617732 /nfs/dbraw/zinc/61/77/32/516617732.db2.gz ZGVVQFKEKSBYHW-MRXNPFEDSA-N 1 0 359.426 2.533 20 5 FFBDRO CN(CC1CC[NH+](C)CC1)C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000523971526 516619418 /nfs/dbraw/zinc/61/94/18/516619418.db2.gz KANKFIMHOWYGNL-UHFFFAOYSA-N 1 0 369.849 2.817 20 5 FFBDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000536158456 516658444 /nfs/dbraw/zinc/65/84/44/516658444.db2.gz RLCYRHCETANAEJ-GOSISDBHSA-N 1 0 362.474 2.947 20 5 FFBDRO CC[NH+]1CCC(N(C)C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000524197987 516667735 /nfs/dbraw/zinc/66/77/35/516667735.db2.gz FQNNNXRKDRIZHO-UHFFFAOYSA-N 1 0 369.849 2.960 20 5 FFBDRO CC[C@H]([NH2+]C[C@H](O)COc1ccc2c(c1)OCO2)c1cccc([N+](=O)[O-])c1 ZINC000531951606 516728451 /nfs/dbraw/zinc/72/84/51/516728451.db2.gz YMXQWHJLVSETPT-RDJZCZTQSA-N 1 0 374.393 2.804 20 5 FFBDRO COc1ccc(C[NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1O ZINC000531961566 516733607 /nfs/dbraw/zinc/73/36/07/516733607.db2.gz MUHIJCIJWJULBR-GFCCVEGCSA-N 1 0 359.382 2.816 20 5 FFBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC(Cc2ccc(F)cc2)CC1 ZINC000536378379 516742585 /nfs/dbraw/zinc/74/25/85/516742585.db2.gz MMMWWOOOXSSOHO-UHFFFAOYSA-N 1 0 359.401 2.850 20 5 FFBDRO CCOc1ccc(C(=O)N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000561746954 516745991 /nfs/dbraw/zinc/74/59/91/516745991.db2.gz PKYREHZJSOSVTR-SQWLQELKSA-N 1 0 361.442 2.796 20 5 FFBDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000536397397 516748898 /nfs/dbraw/zinc/74/88/98/516748898.db2.gz XOLYOOIJIUBZAC-UHFFFAOYSA-N 1 0 369.425 2.764 20 5 FFBDRO CC(C)(C)CC[NH+]1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000518808293 516783959 /nfs/dbraw/zinc/78/39/59/516783959.db2.gz GGAUQXWUQUFEBL-UHFFFAOYSA-N 1 0 363.458 2.944 20 5 FFBDRO C[C@@H]1CC[N@H+](CCNC(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC000524721346 516801413 /nfs/dbraw/zinc/80/14/13/516801413.db2.gz QPSOOTMGPGGGCO-HZPDHXFCSA-N 1 0 374.485 2.903 20 5 FFBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000518871143 516802048 /nfs/dbraw/zinc/80/20/48/516802048.db2.gz XBDUBXCKXRNZAR-BZUAXINKSA-N 1 0 361.442 2.837 20 5 FFBDRO C[C@H]1CC[N@H+](CCNC(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC000524721345 516802512 /nfs/dbraw/zinc/80/25/12/516802512.db2.gz QPSOOTMGPGGGCO-HOTGVXAUSA-N 1 0 374.485 2.903 20 5 FFBDRO CC[N@@H+]1CC[C@H]2OCCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])[C@H]2C1 ZINC000555207839 516830186 /nfs/dbraw/zinc/83/01/86/516830186.db2.gz ZMVLCSIMQJKXEW-LSDHHAIUSA-N 1 0 359.348 2.913 20 5 FFBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000541063811 516853675 /nfs/dbraw/zinc/85/36/75/516853675.db2.gz DBNVEKTUWAENBP-LLVKDONJSA-N 1 0 371.384 2.999 20 5 FFBDRO C[C@@H](O)C[N@@H+]1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)[C@H](C)C1 ZINC000551821241 516889473 /nfs/dbraw/zinc/88/94/73/516889473.db2.gz JCEGMQHFOXBBRM-HUUCEWRRSA-N 1 0 359.426 2.742 20 5 FFBDRO CC[C@H]([NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000536857069 516957272 /nfs/dbraw/zinc/95/72/72/516957272.db2.gz ILKHPDBKXHCQFT-HNNXBMFYSA-N 1 0 369.487 2.822 20 5 FFBDRO CC[NH2+]CCCNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000514719617 517023520 /nfs/dbraw/zinc/02/35/20/517023520.db2.gz HBDZVSSKTUXAGO-UHFFFAOYSA-N 1 0 359.224 2.787 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]Cc1ccc(Cl)cc1F ZINC000514788351 517057384 /nfs/dbraw/zinc/05/73/84/517057384.db2.gz OJLIHPGNPVBUOV-CYBMUJFWSA-N 1 0 354.765 2.917 20 5 FFBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000525554726 517074072 /nfs/dbraw/zinc/07/40/72/517074072.db2.gz PEUUTBNRAOYPTK-LRDDRELGSA-N 1 0 362.455 2.808 20 5 FFBDRO CC(C)[N@@H+]1CCCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000545156316 517075209 /nfs/dbraw/zinc/07/52/09/517075209.db2.gz NKNRYGGJVLTEIM-UHFFFAOYSA-N 1 0 351.422 2.954 20 5 FFBDRO C[C@@H](Cc1cccs1)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000514852781 517090699 /nfs/dbraw/zinc/09/06/99/517090699.db2.gz SAMCPJMZARWVIE-LBPRGKRZSA-N 1 0 354.453 2.651 20 5 FFBDRO COc1cc(C[N@@H+]2CCC[C@@H]([C@H]3CCOC3)C2)c([N+](=O)[O-])cc1OC ZINC000552190218 517132079 /nfs/dbraw/zinc/13/20/79/517132079.db2.gz CWKCLRQDWNYIFS-KGLIPLIRSA-N 1 0 350.415 2.861 20 5 FFBDRO O=C1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CN1[C@@H]1C[C@H]1c1ccccc1 ZINC000537313847 517139483 /nfs/dbraw/zinc/13/94/83/517139483.db2.gz GDLBLJSUVNKIRR-YTQUADARSA-N 1 0 351.406 2.841 20 5 FFBDRO CC(C)C[C@@H](CNC(=O)c1c([N+](=O)[O-])cnn1C)[NH2+][C@H](C)c1ccccc1 ZINC000537519476 517217473 /nfs/dbraw/zinc/21/74/73/517217473.db2.gz DEYYYMLBGTUJMB-ZBFHGGJFSA-N 1 0 373.457 2.824 20 5 FFBDRO CCN(C(=O)c1ccc([N+](=O)[O-])n1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000545476803 517257920 /nfs/dbraw/zinc/25/79/20/517257920.db2.gz KBAIEZXIVJDHIP-INIZCTEOSA-N 1 0 356.426 2.670 20 5 FFBDRO Cc1ccc([C@@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)[NH+](C)C)cc1 ZINC000520064841 517268609 /nfs/dbraw/zinc/26/86/09/517268609.db2.gz JISBSIFWEKWLLD-MRXNPFEDSA-N 1 0 360.389 2.657 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])c(N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)n1 ZINC000541935031 517299854 /nfs/dbraw/zinc/29/98/54/517299854.db2.gz HKEODWNFEOMPIZ-ROUUACIJSA-N 1 0 370.453 2.902 20 5 FFBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000559570115 517319585 /nfs/dbraw/zinc/31/95/85/517319585.db2.gz QCJVXMLENBYCHJ-LLVKDONJSA-N 1 0 370.247 2.737 20 5 FFBDRO Cc1ccccc1[C@H](CO)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000541983155 517321552 /nfs/dbraw/zinc/32/15/52/517321552.db2.gz LHQHHPISYJHLCS-INIZCTEOSA-N 1 0 363.801 2.818 20 5 FFBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](c3ccncc3)C2)c([N+](=O)[O-])c1 ZINC000559638651 517356492 /nfs/dbraw/zinc/35/64/92/517356492.db2.gz HAFKHROVCNLYJP-OAHLLOKOSA-N 1 0 370.409 2.817 20 5 FFBDRO COC1CCC([N@H+](C)CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1 ZINC000533298874 517391429 /nfs/dbraw/zinc/39/14/29/517391429.db2.gz NUFAIAUVSZRZFG-UHFFFAOYSA-N 1 0 363.414 2.782 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC000533447570 517468768 /nfs/dbraw/zinc/46/87/68/517468768.db2.gz JQMWOFNZELFBSN-GXTWGEPZSA-N 1 0 368.865 2.991 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@H]1C ZINC000533447355 517469514 /nfs/dbraw/zinc/46/95/14/517469514.db2.gz GKHCPFIEUZOVQO-CZUORRHYSA-N 1 0 359.430 2.949 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@H]1C ZINC000533447354 517470055 /nfs/dbraw/zinc/47/00/55/517470055.db2.gz GKHCPFIEUZOVQO-CJNGLKHVSA-N 1 0 359.430 2.949 20 5 FFBDRO COc1ccc(NC(=O)CC[NH+]2CCC(OC(C)C)CC2)c([N+](=O)[O-])c1 ZINC000533475695 517481883 /nfs/dbraw/zinc/48/18/83/517481883.db2.gz IFTPURPKDJMBDP-UHFFFAOYSA-N 1 0 365.430 2.821 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H](c1cnn(C)c1)C(C)(C)C ZINC000538275364 517534419 /nfs/dbraw/zinc/53/44/19/517534419.db2.gz FJXGTNRROQJRRZ-QGZVFWFLSA-N 1 0 359.430 2.952 20 5 FFBDRO COc1cccc(C(=O)N2CC([N@H+](C)Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000553171116 517557209 /nfs/dbraw/zinc/55/72/09/517557209.db2.gz NQJZDEGSLCLVCW-UHFFFAOYSA-N 1 0 355.394 2.560 20 5 FFBDRO C[C@@H](C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)Cc1cccs1 ZINC000562993483 517565563 /nfs/dbraw/zinc/56/55/63/517565563.db2.gz HFWNYTAWHMASSU-HIFRSBDPSA-N 1 0 350.440 2.864 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CCOC2CCCCCC2)c1 ZINC000562996356 517568809 /nfs/dbraw/zinc/56/88/09/517568809.db2.gz PIARPCZWCGSMMM-MRXNPFEDSA-N 1 0 352.431 2.664 20 5 FFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3cc(-n4ccnc4)cs3)C2)nc1 ZINC000542466684 517582028 /nfs/dbraw/zinc/58/20/28/517582028.db2.gz QIBUAGYWNZXSDF-CYBMUJFWSA-N 1 0 370.438 2.923 20 5 FFBDRO COc1ccc(CNC(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000516158269 517590678 /nfs/dbraw/zinc/59/06/78/517590678.db2.gz SEKFVQXAAWWZHE-ZIAGYGMSSA-N 1 0 364.446 2.666 20 5 FFBDRO COC(=O)[C@@H]1CCCC[C@]1(C)[NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000538375516 517594153 /nfs/dbraw/zinc/59/41/53/517594153.db2.gz KJWSNAIMNWWPFT-KSSFIOAISA-N 1 0 363.414 2.553 20 5 FFBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2C[C@@H]([NH3+])Cc3ccccc32)cc1OC ZINC000516174760 517600218 /nfs/dbraw/zinc/60/02/18/517600218.db2.gz UPYVRNPLWFSYFK-ZDUSSCGKSA-N 1 0 371.393 2.532 20 5 FFBDRO Cc1c(Br)c(N2CC[C@@H](C[NH+]3CCCC3)C2)ncc1[N+](=O)[O-] ZINC000542506196 517600763 /nfs/dbraw/zinc/60/07/63/517600763.db2.gz NZNKKTLYKFCORA-LBPRGKRZSA-N 1 0 369.263 2.983 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)n1 ZINC000553272535 517617163 /nfs/dbraw/zinc/61/71/63/517617163.db2.gz BDSDENBFKRXQDO-KBPBESRZSA-N 1 0 364.446 2.946 20 5 FFBDRO CN(C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1C[NH+]2CCC1CC2 ZINC000521155015 517630860 /nfs/dbraw/zinc/63/08/60/517630860.db2.gz OETDJNCRNSUVBU-MRXNPFEDSA-N 1 0 372.450 2.885 20 5 FFBDRO [NH3+]C[C@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)C1CCCCC1 ZINC000516292975 517651072 /nfs/dbraw/zinc/65/10/72/517651072.db2.gz QKCDZPSCUXAZTA-KRWDZBQOSA-N 1 0 374.485 2.835 20 5 FFBDRO [NH3+]C[C@@H]1c2ccccc2CCN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000563154532 517697825 /nfs/dbraw/zinc/69/78/25/517697825.db2.gz OYTRVJPCQHJINQ-QGZVFWFLSA-N 1 0 365.393 2.703 20 5 FFBDRO CNC(=O)COc1cccc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000556898796 517734695 /nfs/dbraw/zinc/73/46/95/517734695.db2.gz QTTAMPAQZHRPGR-CQSZACIVSA-N 1 0 357.410 2.879 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H](N1CCOCC1)C(F)(F)F)CCC2 ZINC000556920123 517748125 /nfs/dbraw/zinc/74/81/25/517748125.db2.gz DWULLCMTIVWNQI-HZPDHXFCSA-N 1 0 373.375 2.825 20 5 FFBDRO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000556938285 517760876 /nfs/dbraw/zinc/76/08/76/517760876.db2.gz PBVWBJBYSNKMEM-INIZCTEOSA-N 1 0 370.356 2.804 20 5 FFBDRO COc1cc(C(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)cc([N+](=O)[O-])c1C ZINC000553528240 517765959 /nfs/dbraw/zinc/76/59/59/517765959.db2.gz SKVILRLOFOPQJT-CYBMUJFWSA-N 1 0 361.442 2.858 20 5 FFBDRO [NH3+][C@@H](CC1CCCCC1)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000521538543 517768092 /nfs/dbraw/zinc/76/80/92/517768092.db2.gz CFTWMVOZAKPHRN-SFHVURJKSA-N 1 0 360.458 2.541 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](CO)c1ccccc1C ZINC000542912527 517810716 /nfs/dbraw/zinc/81/07/16/517810716.db2.gz ZRVONHLXICLONA-QGZVFWFLSA-N 1 0 373.409 2.564 20 5 FFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000563417329 517891384 /nfs/dbraw/zinc/89/13/84/517891384.db2.gz LUCJDXNTBIANLB-HLIPFELVSA-N 1 0 367.449 2.807 20 5 FFBDRO O=[N+]([O-])c1ccc(NCCC[NH+]2CCCCC2)c(F)c1N1CCOCC1 ZINC000563421303 517893164 /nfs/dbraw/zinc/89/31/64/517893164.db2.gz SRNJWROIIQJAAU-UHFFFAOYSA-N 1 0 366.437 2.858 20 5 FFBDRO CC[C@@H](C)C[C@H](CC)[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000539071229 517902404 /nfs/dbraw/zinc/90/24/04/517902404.db2.gz PKVWYNUREZYJLQ-KGLIPLIRSA-N 1 0 357.476 2.678 20 5 FFBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]C2CCN(c3cnccn3)CC2)cc1 ZINC000539082836 517906117 /nfs/dbraw/zinc/90/61/17/517906117.db2.gz AXKABYIFCMQVQL-UHFFFAOYSA-N 1 0 355.442 2.966 20 5 FFBDRO CC(C)c1n[nH]c(C(=O)NCC[N@H+]2CC=C(C(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000560649087 517952935 /nfs/dbraw/zinc/95/29/35/517952935.db2.gz JVFFRJMQGAVCSQ-UHFFFAOYSA-N 1 0 363.462 2.849 20 5 FFBDRO C[C@H]1COc2ccccc2C[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000543188373 517956295 /nfs/dbraw/zinc/95/62/95/517956295.db2.gz YWZRDLKIFJWYCW-HOCLYGCPSA-N 1 0 358.394 2.618 20 5 FFBDRO Cn1c(-c2nc(-c3ccccc3OCC[NH+](C)C)no2)ccc1[N+](=O)[O-] ZINC000547112041 517989899 /nfs/dbraw/zinc/98/98/99/517989899.db2.gz VEIKEZFFVPXUFJ-UHFFFAOYSA-N 1 0 357.370 2.591 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)NCCC[NH2+]C3CC3)cc2[N+](=O)[O-])C1 ZINC000517236970 518083450 /nfs/dbraw/zinc/08/34/50/518083450.db2.gz NJWOWXYZYBPXJL-CQSZACIVSA-N 1 0 360.458 2.703 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)c1 ZINC000539527246 518088541 /nfs/dbraw/zinc/08/85/41/518088541.db2.gz DHSNPCJVFYWNLO-CQSZACIVSA-N 1 0 351.447 2.765 20 5 FFBDRO CCCC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000522435561 518107069 /nfs/dbraw/zinc/10/70/69/518107069.db2.gz WUYJBAPKJHXHJL-CQSZACIVSA-N 1 0 373.450 2.667 20 5 FFBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000563848032 518147473 /nfs/dbraw/zinc/14/74/73/518147473.db2.gz TXLRPHPRVPJITL-AWEZNQCLSA-N 1 0 359.430 2.631 20 5 FFBDRO C[C@@H]1CCCC[C@H]1OCC[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000572558151 518246315 /nfs/dbraw/zinc/24/63/15/518246315.db2.gz UEMSMAFADJRGEH-BFYDXBDKSA-N 1 0 352.431 2.519 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]Cc2cccc(OC(F)F)c2)c1 ZINC000575796404 518283720 /nfs/dbraw/zinc/28/37/20/518283720.db2.gz ALHUQOXXPWOCAM-CQSZACIVSA-N 1 0 368.336 2.726 20 5 FFBDRO COc1cc2c(c(CN(CC[NH3+])c3ccccc3[N+](=O)[O-])c1)O[C@H](C)C2 ZINC000572683083 518308591 /nfs/dbraw/zinc/30/85/91/518308591.db2.gz GEIQMTABNKREBH-CYBMUJFWSA-N 1 0 357.410 2.892 20 5 FFBDRO CC[NH+]1C[C@H](C)N(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000584416159 518331236 /nfs/dbraw/zinc/33/12/36/518331236.db2.gz OZTYHYORNJXNDO-STQMWFEESA-N 1 0 369.849 2.958 20 5 FFBDRO Cn1cc([C@H]2C[N@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)CC2(C)C)cn1 ZINC000575999719 518382144 /nfs/dbraw/zinc/38/21/44/518382144.db2.gz LMTKPAQQDQATOW-QGZVFWFLSA-N 1 0 371.441 2.783 20 5 FFBDRO [NH3+]CC12CCC(CC1)CN2CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000569988285 518389878 /nfs/dbraw/zinc/38/98/78/518389878.db2.gz NGEBOMGUAVQRNU-UHFFFAOYSA-N 1 0 356.426 2.996 20 5 FFBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@@H](C)C1 ZINC000584547547 518393396 /nfs/dbraw/zinc/39/33/96/518393396.db2.gz HGLQJOMBIQMINR-NVGCLXPQSA-N 1 0 367.396 2.604 20 5 FFBDRO [NH3+]Cc1ccc(CNC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000578865089 518410528 /nfs/dbraw/zinc/41/05/28/518410528.db2.gz DZYNMWBVJDHPKZ-UHFFFAOYSA-N 1 0 356.426 2.876 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000567238922 518423327 /nfs/dbraw/zinc/42/33/27/518423327.db2.gz BGTZIKIVUTUYBX-FQEVSTJZSA-N 1 0 369.421 2.998 20 5 FFBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000570183745 518483235 /nfs/dbraw/zinc/48/32/35/518483235.db2.gz TUJOOQSJXAWHBR-FQEVSTJZSA-N 1 0 368.437 2.672 20 5 FFBDRO CC[NH+](CC)C[C@@H](C)Nc1ccc([N+](=O)[O-])c(N2CCOCC2)c1F ZINC000567366606 518489354 /nfs/dbraw/zinc/48/93/54/518489354.db2.gz DICVHXILYJYGHW-CYBMUJFWSA-N 1 0 354.426 2.713 20 5 FFBDRO Nc1cccc(C[N@@H+]2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)c1 ZINC000576280422 518516350 /nfs/dbraw/zinc/51/63/50/518516350.db2.gz VMFYGESPYIAFKT-UHFFFAOYSA-N 1 0 366.425 2.766 20 5 FFBDRO Cc1ccc(NCCCNC(=O)N[C@H](C)C[N@@H+](C)C(C)C)c([N+](=O)[O-])c1 ZINC000576322401 518535350 /nfs/dbraw/zinc/53/53/50/518535350.db2.gz ZCDIFCFKDBSPBY-OAHLLOKOSA-N 1 0 365.478 2.733 20 5 FFBDRO CC1(C)C(=O)N[C@@H]1C1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000582070775 518575828 /nfs/dbraw/zinc/57/58/28/518575828.db2.gz XFUJSKZAVZUYOX-OAHLLOKOSA-N 1 0 353.369 2.610 20 5 FFBDRO CCOc1cc(C[N@H+](CC(C)(C)O)C2CCOCC2)ccc1[N+](=O)[O-] ZINC000573275189 518588642 /nfs/dbraw/zinc/58/86/42/518588642.db2.gz TZGLIMKALCTVMN-UHFFFAOYSA-N 1 0 352.431 2.745 20 5 FFBDRO CCOc1cc(C)ccc1C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000564850064 518651483 /nfs/dbraw/zinc/65/14/83/518651483.db2.gz PJMNUTZLHNTLEU-QGZVFWFLSA-N 1 0 360.410 2.831 20 5 FFBDRO CCC[NH+]1CCC(NC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000570545464 518659797 /nfs/dbraw/zinc/65/97/97/518659797.db2.gz SWTHJFCGJOETIR-UHFFFAOYSA-N 1 0 373.457 2.792 20 5 FFBDRO C[C@H](CNC(=O)N(C)CCc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC000570591087 518682358 /nfs/dbraw/zinc/68/23/58/518682358.db2.gz DQVRRWMYTQQORM-JKSUJKDBSA-N 1 0 362.474 2.899 20 5 FFBDRO O=C(CC[NH2+]CC[C@H]1C(=O)Nc2ccccc21)Nc1ccccc1[N+](=O)[O-] ZINC000582296412 518684954 /nfs/dbraw/zinc/68/49/54/518684954.db2.gz IOLDVTCRRZKJPV-CQSZACIVSA-N 1 0 368.393 2.639 20 5 FFBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)NCC3([NH3+])CCC3)cc2[N+](=O)[O-])C1 ZINC000567815334 518728381 /nfs/dbraw/zinc/72/83/81/518728381.db2.gz RYSXPFGFUWXAJM-OKILXGFUSA-N 1 0 360.458 2.688 20 5 FFBDRO CO[C@H](C)[C@H](C)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000579604827 518762511 /nfs/dbraw/zinc/76/25/11/518762511.db2.gz MOEIYLGYBQNYHS-DTWKUNHWSA-N 1 0 364.183 2.712 20 5 FFBDRO [NH3+]CC12CCC(CC1)CN2C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000565148112 518810502 /nfs/dbraw/zinc/81/05/02/518810502.db2.gz AZYMESFMHVXDNZ-UHFFFAOYSA-N 1 0 368.231 2.701 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CC2(c3ccc(Cl)cc3)CCC2)c1 ZINC000579703173 518810737 /nfs/dbraw/zinc/81/07/37/518810737.db2.gz DAXPHHVSPHVPAT-INIZCTEOSA-N 1 0 364.833 2.517 20 5 FFBDRO C[C@@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])C(=O)NCCc1ccccc1 ZINC000570942874 518854932 /nfs/dbraw/zinc/85/49/32/518854932.db2.gz WKRLLDHMNZJUCC-RDTXWAMCSA-N 1 0 353.422 2.919 20 5 FFBDRO Cc1ccc2c(c1C)OC[C@@H]2[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000573834270 518858068 /nfs/dbraw/zinc/85/80/68/518858068.db2.gz WEFMUUPWJPGSQG-YJBOKZPZSA-N 1 0 358.394 2.675 20 5 FFBDRO C[C@@H](NC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)C1CC[NH+](C)CC1 ZINC000588887046 518858539 /nfs/dbraw/zinc/85/85/39/518858539.db2.gz LCCZLWJHHGNQRT-CYBMUJFWSA-N 1 0 373.457 2.648 20 5 FFBDRO C[C@H](O)C[C@@H]1CCCC[N@@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000573889413 518883132 /nfs/dbraw/zinc/88/31/32/518883132.db2.gz NKFMSPYWPOVYMF-KBPBESRZSA-N 1 0 363.414 2.518 20 5 FFBDRO CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000565323081 518898526 /nfs/dbraw/zinc/89/85/26/518898526.db2.gz MNZRHUASPOXUSX-OAHLLOKOSA-N 1 0 371.441 2.727 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC1(C)CC[NH2+]CC1 ZINC000571073883 518913364 /nfs/dbraw/zinc/91/33/64/518913364.db2.gz KQLZDUIABSJUPU-LLVKDONJSA-N 1 0 355.822 2.521 20 5 FFBDRO Cc1c(NC(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)cccc1[N+](=O)[O-] ZINC000582913913 518983765 /nfs/dbraw/zinc/98/37/65/518983765.db2.gz YJSIIQQEHPEORO-HNNXBMFYSA-N 1 0 362.430 2.622 20 5 FFBDRO C[C@@H](CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)[N@@H+]1CCCC[C@@H]1C ZINC000565502247 518988101 /nfs/dbraw/zinc/98/81/01/518988101.db2.gz ABTQXLHMEPZTKM-RYUDHWBXSA-N 1 0 355.385 2.795 20 5 FFBDRO C[C@H](CNc1ccc([N+](=O)[O-])c(N2CCOCC2)c1F)C[NH+]1CCCC1 ZINC000565550298 519013419 /nfs/dbraw/zinc/01/34/19/519013419.db2.gz WBDGMDXRIPWQSU-CQSZACIVSA-N 1 0 366.437 2.714 20 5 FFBDRO C[C@@H]1C[C@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CC[N@@H+]1C ZINC000583057225 519053535 /nfs/dbraw/zinc/05/35/35/519053535.db2.gz LDXZDONIXGXTSP-NXEZZACHSA-N 1 0 358.345 2.800 20 5 FFBDRO COc1ccc(CN(C)[C@@H]2CC[NH2+]C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000568632043 519139437 /nfs/dbraw/zinc/13/94/37/519139437.db2.gz HDFVGVGNDOPNDU-GOSISDBHSA-N 1 0 371.437 2.976 20 5 FFBDRO CC[C@H]1CN(C)CCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000577597250 519159177 /nfs/dbraw/zinc/15/91/77/519159177.db2.gz WFFCVRQBHNPYMQ-LBPRGKRZSA-N 1 0 356.220 2.524 20 5 FFBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+][C@@H]2CCCC23CCCC3)c1 ZINC000590241852 519180625 /nfs/dbraw/zinc/18/06/25/519180625.db2.gz AJUSMAOJGWTKIT-MRXNPFEDSA-N 1 0 367.471 2.576 20 5 FFBDRO COc1cc(C[NH2+]C[C@@H]2CSc3ccccc3O2)c([N+](=O)[O-])cc1O ZINC000568749579 519196470 /nfs/dbraw/zinc/19/64/70/519196470.db2.gz QUGQGCLUJRZNOR-GFCCVEGCSA-N 1 0 362.407 2.952 20 5 FFBDRO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CC3(CCOCC3)[C@H]1C1CC1)OCCO2 ZINC000590378479 519210226 /nfs/dbraw/zinc/21/02/26/519210226.db2.gz LNGDHJRXESOTAW-GOSISDBHSA-N 1 0 360.410 2.757 20 5 FFBDRO O=[N+]([O-])c1cncc(Br)c1N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000580533937 519225383 /nfs/dbraw/zinc/22/53/83/519225383.db2.gz AQCKVOHIQAJSKI-NSHDSACASA-N 1 0 355.236 2.578 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CCOc1cccc(Cl)c1 ZINC000580543578 519230713 /nfs/dbraw/zinc/23/07/13/519230713.db2.gz JJHHEBZMHICWDE-AWEZNQCLSA-N 1 0 366.801 2.657 20 5 FFBDRO Cc1ccc(NCCCNC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])c([N+](=O)[O-])c1 ZINC000580548460 519233038 /nfs/dbraw/zinc/23/30/38/519233038.db2.gz YXSBDPBAPFWPMJ-JOUKPKRSSA-N 1 0 374.485 2.975 20 5 FFBDRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000590446468 519236185 /nfs/dbraw/zinc/23/61/85/519236185.db2.gz VOBVPFYNTLEUHX-GWCFXTLKSA-N 1 0 355.847 2.503 20 5 FFBDRO COC(=O)c1ccnc(NC[C@H](c2cccc(F)c2)[NH+](C)C)c1[N+](=O)[O-] ZINC000590568577 519268592 /nfs/dbraw/zinc/26/85/92/519268592.db2.gz IFUPNEUKRFTGNQ-CQSZACIVSA-N 1 0 362.361 2.630 20 5 FFBDRO CC(C)c1ccc(C(=O)N2CCOC[C@H]2[C@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000590566388 519268825 /nfs/dbraw/zinc/26/88/25/519268825.db2.gz ZRKUXBIHXYTAME-AEFFLSMTSA-N 1 0 361.442 2.653 20 5 FFBDRO COC(=O)c1c(Cl)c(N2CCC[C@H]3C[N@H+](C)CC[C@H]32)ccc1[N+](=O)[O-] ZINC000590581005 519273334 /nfs/dbraw/zinc/27/33/34/519273334.db2.gz GJPQAKNCGDGIEW-NWDGAFQWSA-N 1 0 367.833 2.955 20 5 FFBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000583490545 519276282 /nfs/dbraw/zinc/27/62/82/519276282.db2.gz KZQLCXXFMSXGOX-STQMWFEESA-N 1 0 373.862 2.543 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H](c2ccccn2)C1 ZINC000590599085 519284071 /nfs/dbraw/zinc/28/40/71/519284071.db2.gz AAJCNIQSDXBRAU-HOTGVXAUSA-N 1 0 357.410 2.609 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000568935200 519290210 /nfs/dbraw/zinc/29/02/10/519290210.db2.gz LSKXWICERRDFHY-NSHDSACASA-N 1 0 357.357 2.909 20 5 FFBDRO C[C@@H]1CCC[C@H](CN(CC[NH3+])c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000580678084 519296289 /nfs/dbraw/zinc/29/62/89/519296289.db2.gz VJCLUAFBYFKWCM-KGLIPLIRSA-N 1 0 369.487 2.590 20 5 FFBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3ccc(Br)cc3[N+](=O)[O-])C[C@H]21 ZINC000566099764 519299012 /nfs/dbraw/zinc/29/90/12/519299012.db2.gz VFRQQIUELPVBCD-ZWKOPEQDSA-N 1 0 368.231 2.557 20 5 FFBDRO CC(C)(C(=O)NC[C@@H]1[NH2+]CCc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000566101975 519300159 /nfs/dbraw/zinc/30/01/59/519300159.db2.gz BKPJOVWQAJEOGF-SFHVURJKSA-N 1 0 353.422 2.876 20 5 FFBDRO CC[NH+](CC)CCO[C@H]1CCN(c2ccc([N+](=O)[O-])c(OC(C)C)n2)C1 ZINC000577886524 519307985 /nfs/dbraw/zinc/30/79/85/519307985.db2.gz NEPKNWPWYAUXRX-HNNXBMFYSA-N 1 0 366.462 2.714 20 5 FFBDRO CC(C)[C@H](C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000566129111 519318980 /nfs/dbraw/zinc/31/89/80/519318980.db2.gz WJEIHVQWQBBYRL-SJORKVTESA-N 1 0 366.849 2.835 20 5 FFBDRO CC(C)N(C)c1ccccc1C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000566132280 519322817 /nfs/dbraw/zinc/32/28/17/519322817.db2.gz VTLLXTZKBXVFCF-SFHVURJKSA-N 1 0 373.453 2.969 20 5 FFBDRO O=[N+]([O-])c1cccc(S(=O)(=O)N2C[C@H]3CCC[N@@H+]3Cc3ccccc32)c1 ZINC000577952362 519339156 /nfs/dbraw/zinc/33/91/56/519339156.db2.gz GGZCGLGGKFQWBI-MRXNPFEDSA-N 1 0 373.434 2.768 20 5 FFBDRO C[C@@H](C(=O)NC1(C(F)(F)F)CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000574866118 519373043 /nfs/dbraw/zinc/37/30/43/519373043.db2.gz ASJFHWVPGKCROX-LLVKDONJSA-N 1 0 359.348 2.841 20 5 FFBDRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000590806560 519380321 /nfs/dbraw/zinc/38/03/21/519380321.db2.gz RMMICKYRKJIOBK-QZTJIDSGSA-N 1 0 372.469 2.968 20 5 FFBDRO C[C@@H]1C[C@@H](CC[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000580829240 519382624 /nfs/dbraw/zinc/38/26/24/519382624.db2.gz FRIIQUHYUXFBEB-JYYAWHABSA-N 1 0 352.431 2.518 20 5 FFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]Cc1cnc(N2CCOCC2)c(F)c1 ZINC000569118347 519388133 /nfs/dbraw/zinc/38/81/33/519388133.db2.gz PRHJLCFNLWVYIO-KRWDZBQOSA-N 1 0 372.400 2.743 20 5 FFBDRO C[C@H]([NH3+])CN1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000566303558 519423927 /nfs/dbraw/zinc/42/39/27/519423927.db2.gz CGUCRMJMHLASNI-AWEZNQCLSA-N 1 0 360.483 2.788 20 5 FFBDRO C[C@]1(NC(=O)COc2cccc([N+](=O)[O-])c2)CC[N@H+](Cc2ccccc2)C1 ZINC000566320211 519431066 /nfs/dbraw/zinc/43/10/66/519431066.db2.gz ZTCXVRKPOIKDDP-FQEVSTJZSA-N 1 0 369.421 2.754 20 5 FFBDRO C[C@@]1(CNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CCC[NH2+]C1 ZINC000569212973 519435550 /nfs/dbraw/zinc/43/55/50/519435550.db2.gz GMNOYPIINOUQFU-QGZVFWFLSA-N 1 0 360.439 2.838 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)C[C@H](C)C(=O)OC(C)(C)C)c1 ZINC000590972785 519465220 /nfs/dbraw/zinc/46/52/20/519465220.db2.gz PWFXDZHOJMOUSP-LBPRGKRZSA-N 1 0 366.414 2.791 20 5 FFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000581004394 519472889 /nfs/dbraw/zinc/47/28/89/519472889.db2.gz HYAIIYMFASSKJV-UHFFFAOYSA-N 1 0 372.429 2.686 20 5 FFBDRO CCc1nn(C)c(Nc2cccc(N3CC[NH+](CC)CC3)c2)c1[N+](=O)[O-] ZINC000575086961 519492342 /nfs/dbraw/zinc/49/23/42/519492342.db2.gz FLTYKFYMTRPPIP-UHFFFAOYSA-N 1 0 358.446 2.776 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CC2(c3cccs3)CCCCC2)c1 ZINC000575116690 519509769 /nfs/dbraw/zinc/50/97/69/519509769.db2.gz JIOUXZANJZGNSM-OAHLLOKOSA-N 1 0 364.471 2.705 20 5 FFBDRO O=[N+]([O-])c1ccc2ccnc(N3CCC[N@H+](C[C@H]4CCCO4)CC3)c2c1 ZINC000591138807 519526425 /nfs/dbraw/zinc/52/64/25/519526425.db2.gz ZZPLCEQKKJPYEA-QGZVFWFLSA-N 1 0 356.426 2.834 20 5 FFBDRO O=[N+]([O-])c1cccc(CC[NH2+]C[C@@H](O)COCc2ccc(Cl)cc2)c1 ZINC000572393523 519593019 /nfs/dbraw/zinc/59/30/19/519593019.db2.gz NPCYKTHHWNHGBN-GOSISDBHSA-N 1 0 364.829 2.958 20 5 FFBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000591347037 519602931 /nfs/dbraw/zinc/60/29/31/519602931.db2.gz CLVMDFIPQXBUII-IRXDYDNUSA-N 1 0 360.458 2.559 20 5 FFBDRO CC(C)N(Cc1cn(C)nc1[N+](=O)[O-])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000602853301 519926608 /nfs/dbraw/zinc/92/66/08/519926608.db2.gz WXUSTARGOVRNRN-SFHVURJKSA-N 1 0 357.458 2.813 20 5 FFBDRO COC(=O)c1cnc(N2CCC[C@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)c([N+](=O)[O-])c1 ZINC000616176878 519933223 /nfs/dbraw/zinc/93/32/23/519933223.db2.gz MVIRGVRMXSMVPF-GUTXKFCHSA-N 1 0 362.430 2.618 20 5 FFBDRO Cc1c(NC(=O)[C@H](C)N2CC[N@H+](C)[C@@H](C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000602875313 519941989 /nfs/dbraw/zinc/94/19/89/519941989.db2.gz ZMKYUMDBCXYBKV-WMLDXEAASA-N 1 0 362.474 2.892 20 5 FFBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)c3c(Br)cccc3[N+](=O)[O-])C2)C1 ZINC000599972441 519978964 /nfs/dbraw/zinc/97/89/64/519978964.db2.gz XPNGIMSYCFIIOY-HNNXBMFYSA-N 1 0 368.231 2.525 20 5 FFBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH+]1CCC(CCF)CC1 ZINC000602947723 519987817 /nfs/dbraw/zinc/98/78/17/519987817.db2.gz NJQBENIQXQREDN-UHFFFAOYSA-N 1 0 351.378 2.964 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1C ZINC000594483932 519992858 /nfs/dbraw/zinc/99/28/58/519992858.db2.gz LFRNTHYRIAXOME-LSDHHAIUSA-N 1 0 367.471 2.507 20 5 FFBDRO Cc1cc(C)c(S(=O)(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000594485149 519994141 /nfs/dbraw/zinc/99/41/41/519994141.db2.gz XJZYGDVAOOVVMP-LSDHHAIUSA-N 1 0 367.471 2.507 20 5 FFBDRO C[C@@](CO)([NH2+]C[C@H](O)Cc1cccc(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000602963649 519996762 /nfs/dbraw/zinc/99/67/62/519996762.db2.gz YAJVPHFASGFBSV-MSOLQXFVSA-N 1 0 364.829 2.649 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N[C@H]3CC34CC[NH2+]CC4)cc2[N+](=O)[O-])C1 ZINC000591685971 519999184 /nfs/dbraw/zinc/99/91/84/519999184.db2.gz GAFAPOZELKWVIW-KDOFPFPSSA-N 1 0 372.469 2.703 20 5 FFBDRO NC(=O)c1ccccc1N1CC[C@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000594494947 520002340 /nfs/dbraw/zinc/00/23/40/520002340.db2.gz INVIWTITIQWELS-GUYCJALGSA-N 1 0 366.421 2.550 20 5 FFBDRO Cn1nnc2c1CC[C@@H]([NH2+]Cc1ccc(-c3cccc([N+](=O)[O-])c3)o1)C2 ZINC000594514639 520010769 /nfs/dbraw/zinc/01/07/69/520010769.db2.gz KMWLKUJVTZYOHN-CYBMUJFWSA-N 1 0 353.382 2.630 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](O)[C@H]2CCCC[C@@H]21 ZINC000602997287 520013137 /nfs/dbraw/zinc/01/31/37/520013137.db2.gz HBIBDXLGRJJDST-SZMVWBNQSA-N 1 0 361.442 2.857 20 5 FFBDRO O=C(CC[NH2+]CCN1CCCc2ccccc21)Nc1ccccc1[N+](=O)[O-] ZINC000591728253 520014427 /nfs/dbraw/zinc/01/44/27/520014427.db2.gz DUARSTOTXVHIOE-UHFFFAOYSA-N 1 0 368.437 2.966 20 5 FFBDRO Cc1cccc(C)c1OC[C@@H](O)C[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000591735589 520016274 /nfs/dbraw/zinc/01/62/74/520016274.db2.gz PZYHELRMDGMSKB-KRWDZBQOSA-N 1 0 360.410 2.620 20 5 FFBDRO O=[N+]([O-])c1ccccc1CC[NH2+]C[C@@H](O)COCc1ccc(Cl)cc1 ZINC000591744617 520019014 /nfs/dbraw/zinc/01/90/14/520019014.db2.gz OJUPUMCSIKCKNC-QGZVFWFLSA-N 1 0 364.829 2.958 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC000591760889 520027066 /nfs/dbraw/zinc/02/70/66/520027066.db2.gz QQTDAFMPPWIZCE-MBOZVWFJSA-N 1 0 372.421 2.844 20 5 FFBDRO O=[N+]([O-])c1cnc(N2CCC[C@@H]([NH+]3CCOCC3)CC2)c(C(F)(F)F)c1 ZINC000594601680 520047680 /nfs/dbraw/zinc/04/76/80/520047680.db2.gz YYOLJCXKGIJMGK-GFCCVEGCSA-N 1 0 374.363 2.700 20 5 FFBDRO Cc1cccc(CC2C[NH+](C[C@H](O)COc3ccccc3[N+](=O)[O-])C2)c1 ZINC000612676897 520083947 /nfs/dbraw/zinc/08/39/47/520083947.db2.gz PUVFFGXGLVXGEE-SFHVURJKSA-N 1 0 356.422 2.817 20 5 FFBDRO C[C@]1(CO)C[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@]1(C)CO ZINC000600202323 520119987 /nfs/dbraw/zinc/11/99/87/520119987.db2.gz CQDMGNABOFGPIA-KDURUIRLSA-N 1 0 360.410 2.668 20 5 FFBDRO COc1cc(CNCC2([NH3+])CCCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000594739232 520124922 /nfs/dbraw/zinc/12/49/22/520124922.db2.gz PMWYQJHUCCKRKO-UHFFFAOYSA-N 1 0 359.373 2.608 20 5 FFBDRO C[NH+]1CCC2(CC1)CN(c1ccc(Br)cc1[N+](=O)[O-])CCO2 ZINC000591991682 520125868 /nfs/dbraw/zinc/12/58/68/520125868.db2.gz BFNUTUHWMFTIPM-UHFFFAOYSA-N 1 0 370.247 2.658 20 5 FFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)n1cc(C[C@H]([NH3+])Cc2ccccc2)nn1 ZINC000603186870 520145493 /nfs/dbraw/zinc/14/54/93/520145493.db2.gz YGJAINFPJXQDNJ-RHSMWYFYSA-N 1 0 351.410 2.908 20 5 FFBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000608901186 520157149 /nfs/dbraw/zinc/15/71/49/520157149.db2.gz TZQRTENOQKMOBI-UHFFFAOYSA-N 1 0 362.349 2.769 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)cc1C ZINC000594788953 520158889 /nfs/dbraw/zinc/15/88/89/520158889.db2.gz INZKRDIATRFDKZ-CQSZACIVSA-N 1 0 369.487 2.610 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000608905308 520158896 /nfs/dbraw/zinc/15/88/96/520158896.db2.gz BMFJPQXSVCICEV-GXTWGEPZSA-N 1 0 367.833 2.712 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@@H]([NH+](C)C)[C@@H]1C ZINC000597696059 520179739 /nfs/dbraw/zinc/17/97/39/520179739.db2.gz BCSCZHYBDMHTFN-GMXVVIOVSA-N 1 0 355.822 2.567 20 5 FFBDRO CCS(=O)(=O)C1(C[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000594992666 520246303 /nfs/dbraw/zinc/24/63/03/520246303.db2.gz IRMGOCAXIJVIFN-UHFFFAOYSA-N 1 0 364.423 2.912 20 5 FFBDRO C[C@@H]1COCC[N@@H+]1C1CCN(c2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000603401252 520246856 /nfs/dbraw/zinc/24/68/56/520246856.db2.gz KNKYFHBSICDLGW-CQSZACIVSA-N 1 0 356.426 2.833 20 5 FFBDRO Cn1cc(CN2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)c([N+](=O)[O-])n1 ZINC000603430720 520262275 /nfs/dbraw/zinc/26/22/75/520262275.db2.gz UNWHSWCAZYANGC-AEFFLSMTSA-N 1 0 357.458 2.500 20 5 FFBDRO C[NH+](C)C[C@H](NC(=O)c1[nH]ncc1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000600469391 520278083 /nfs/dbraw/zinc/27/80/83/520278083.db2.gz AKVHSJGNXWSACE-NSHDSACASA-N 1 0 372.212 2.657 20 5 FFBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000600470727 520278605 /nfs/dbraw/zinc/27/86/05/520278605.db2.gz IEPLCQXHPGDDRJ-QGZVFWFLSA-N 1 0 356.426 2.683 20 5 FFBDRO O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000600469861 520278798 /nfs/dbraw/zinc/27/87/98/520278798.db2.gz LSJMSAKYECIUPC-KRWDZBQOSA-N 1 0 359.426 2.691 20 5 FFBDRO O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000600470893 520278913 /nfs/dbraw/zinc/27/89/13/520278913.db2.gz JOBZAGAWPVBHOJ-INIZCTEOSA-N 1 0 369.425 2.527 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000597861756 520288532 /nfs/dbraw/zinc/28/85/32/520288532.db2.gz WXLBVMSPIWIEJG-AWEZNQCLSA-N 1 0 357.414 2.588 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N3CC[C@H]4CC[NH2+][C@@H]4C3)cc2[N+](=O)[O-])C1 ZINC000592248794 520290433 /nfs/dbraw/zinc/29/04/33/520290433.db2.gz UXFBUYYMMLAXSA-BFYDXBDKSA-N 1 0 372.469 2.655 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000603601895 520323188 /nfs/dbraw/zinc/32/31/88/520323188.db2.gz KOQPSHPOUZIXMK-INIZCTEOSA-N 1 0 369.421 2.998 20 5 FFBDRO C[C@@H](Nc1ccc(C(=O)N(C)CCC[NH3+])cc1[N+](=O)[O-])c1ccccn1 ZINC000592298337 520323975 /nfs/dbraw/zinc/32/39/75/520323975.db2.gz HSAZFFLBBSQDNC-CYBMUJFWSA-N 1 0 357.414 2.584 20 5 FFBDRO CCOc1cc(C(=O)NC[C@H]2CCCC[N@@H+]2CC)c([N+](=O)[O-])cc1OC ZINC000609489436 520330346 /nfs/dbraw/zinc/33/03/46/520330346.db2.gz MRFZJJSMUWFHIP-CYBMUJFWSA-N 1 0 365.430 2.606 20 5 FFBDRO CC[C@H]1CN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000592332630 520339300 /nfs/dbraw/zinc/33/93/00/520339300.db2.gz OOCHJSGQQWKKOD-CABZTGNLSA-N 1 0 356.220 2.557 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000595233473 520364618 /nfs/dbraw/zinc/36/46/18/520364618.db2.gz ODNIRNYZIULNMY-CQSZACIVSA-N 1 0 362.430 2.847 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000613178961 520371472 /nfs/dbraw/zinc/37/14/72/520371472.db2.gz HSMKOGJDEFINDG-MRXNPFEDSA-N 1 0 354.410 2.801 20 5 FFBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000595256618 520374376 /nfs/dbraw/zinc/37/43/76/520374376.db2.gz PFAIOTPEBGUUFB-RTBURBONSA-N 1 0 371.412 2.928 20 5 FFBDRO Cc1sc(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000595256641 520374814 /nfs/dbraw/zinc/37/48/14/520374814.db2.gz PLGYESKTVSLNKL-ZIAGYGMSSA-N 1 0 363.414 2.979 20 5 FFBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000595264392 520378991 /nfs/dbraw/zinc/37/89/91/520378991.db2.gz XFIBSRLXQKRLOP-QZTJIDSGSA-N 1 0 372.400 2.679 20 5 FFBDRO C[C@H]1CC[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CCS1 ZINC000617263865 520403403 /nfs/dbraw/zinc/40/34/03/520403403.db2.gz HIVSCRIIWJRPJU-LBPRGKRZSA-N 1 0 351.428 2.720 20 5 FFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000598062108 520404598 /nfs/dbraw/zinc/40/45/98/520404598.db2.gz JOWMPLPMVJIXHW-UHFFFAOYSA-N 1 0 368.437 2.561 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1[C@H]2Cc3c(cccc3Cl)[C@@H]12 ZINC000600753399 520448745 /nfs/dbraw/zinc/44/87/45/520448745.db2.gz AVGCOSFFGVYHEP-NRYBGFRQSA-N 1 0 374.824 2.916 20 5 FFBDRO COc1cc(CN[C@H]2CC[NH2+]C23CCC3)c([N+](=O)[O-])cc1OCC(F)F ZINC000600770374 520457761 /nfs/dbraw/zinc/45/77/61/520457761.db2.gz XSBLGFPLBGFTMX-HNNXBMFYSA-N 1 0 371.384 2.622 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](CO)[C@H](C)c1ccccc1 ZINC000613389709 520478640 /nfs/dbraw/zinc/47/86/40/520478640.db2.gz KUKDYLWBHFPWIJ-KDOFPFPSSA-N 1 0 357.410 2.596 20 5 FFBDRO C[C@H](c1ccccc1)[C@H](CO)[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000613389096 520479730 /nfs/dbraw/zinc/47/97/30/520479730.db2.gz DMUCKWUMWLJELN-DYVFJYSZSA-N 1 0 368.393 2.899 20 5 FFBDRO C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000598195962 520487468 /nfs/dbraw/zinc/48/74/68/520487468.db2.gz XUNDMHQNEUMEFI-INIZCTEOSA-N 1 0 368.437 2.566 20 5 FFBDRO C[NH+](C)CCOc1ccccc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000609965415 520491511 /nfs/dbraw/zinc/49/15/11/520491511.db2.gz PLEHETYJNVSAKI-UHFFFAOYSA-N 1 0 370.453 2.862 20 5 FFBDRO Cc1cc(OCC(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000598220067 520501313 /nfs/dbraw/zinc/50/13/13/520501313.db2.gz OUSFSLOWGRWPMK-HNNXBMFYSA-N 1 0 361.442 2.805 20 5 FFBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000598218935 520501468 /nfs/dbraw/zinc/50/14/68/520501468.db2.gz JTCZIZDOIIHERB-HNNXBMFYSA-N 1 0 361.442 2.887 20 5 FFBDRO C[NH+](C)C1(CNC(=O)c2ccc([N+](=O)[O-])cc2Br)CCCC1 ZINC000610061290 520519970 /nfs/dbraw/zinc/51/99/70/520519970.db2.gz YMCGBRCZUQLJMU-UHFFFAOYSA-N 1 0 370.247 2.962 20 5 FFBDRO CCC[N@@H+]1CC[C@@H](NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000598342194 520564376 /nfs/dbraw/zinc/56/43/76/520564376.db2.gz JYOGFPYXUUXYFF-CYBMUJFWSA-N 1 0 355.822 2.618 20 5 FFBDRO CCC[N@@H+]1CC[C@H](NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000598343036 520567027 /nfs/dbraw/zinc/56/70/27/520567027.db2.gz RULDSAKRRGSDKH-ZDUSSCGKSA-N 1 0 360.439 2.932 20 5 FFBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000604472812 520570354 /nfs/dbraw/zinc/57/03/54/520570354.db2.gz PVAZHIPJCQRDSO-UHFFFAOYSA-N 1 0 369.421 2.998 20 5 FFBDRO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+](CCOCCO)C1CCC1 ZINC000595593880 520579962 /nfs/dbraw/zinc/57/99/62/520579962.db2.gz BAVFQAOIAJKXIQ-UHFFFAOYSA-N 1 0 373.247 2.721 20 5 FFBDRO C[NH+](C)CCOc1cccc(CNC(=O)c2c(F)cccc2[N+](=O)[O-])c1 ZINC000601035597 520606875 /nfs/dbraw/zinc/60/68/75/520606875.db2.gz WQUNXABGFQNLMI-UHFFFAOYSA-N 1 0 361.373 2.604 20 5 FFBDRO Cc1n[nH]c(C(=O)N(C(C)C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000592873668 520626768 /nfs/dbraw/zinc/62/67/68/520626768.db2.gz QGBMVNAQZXQKAX-MRXNPFEDSA-N 1 0 371.441 2.751 20 5 FFBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@]2(Cc3ccc(Cl)cc3)CCCOC2)c1 ZINC000595670311 520634723 /nfs/dbraw/zinc/63/47/23/520634723.db2.gz BIURIOKIJYAOQS-KRWDZBQOSA-N 1 0 364.833 2.826 20 5 FFBDRO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000601132595 520652473 /nfs/dbraw/zinc/65/24/73/520652473.db2.gz KHESSUQUQOAREJ-JQWIXIFHSA-N 1 0 373.379 2.800 20 5 FFBDRO C[C@](CO)([NH2+]Cc1ccc(O[C@@H]2CCOC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000601150419 520662149 /nfs/dbraw/zinc/66/21/49/520662149.db2.gz XCIZJERAYXOZNW-WOJBJXKFSA-N 1 0 372.421 2.760 20 5 FFBDRO O=C(CCNc1ccccc1[N+](=O)[O-])NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000598509267 520669032 /nfs/dbraw/zinc/66/90/32/520669032.db2.gz KVWLMBFQQLPWHT-QGZVFWFLSA-N 1 0 368.437 2.788 20 5 FFBDRO CC[C@@H]1CN(C(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000598536764 520688254 /nfs/dbraw/zinc/68/82/54/520688254.db2.gz WDVMCNCNRDNSBB-GMXVVIOVSA-N 1 0 355.822 2.614 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC2(CCCC2)OC[C@@H]1C[NH+](C)C ZINC000598536789 520689629 /nfs/dbraw/zinc/68/96/29/520689629.db2.gz XBMAYNNUDZELPI-INIZCTEOSA-N 1 0 361.442 2.619 20 5 FFBDRO COc1cc(C[N@H+]2C[C@@H](C)[C@H](O)[C@@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000595743814 520692160 /nfs/dbraw/zinc/69/21/60/520692160.db2.gz RVUQHGYOGUYCMH-FTJFQDGESA-N 1 0 374.384 2.696 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@@]2(CO)CC(C)C)c1 ZINC000593027074 520692321 /nfs/dbraw/zinc/69/23/21/520692321.db2.gz KMWCHIGLWYWGSN-SFHVURJKSA-N 1 0 350.415 2.754 20 5 FFBDRO CCOC(=O)CC1([NH2+]Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])CCCC1 ZINC000593029397 520692773 /nfs/dbraw/zinc/69/27/73/520692773.db2.gz TWPGZORSRFRQIK-UHFFFAOYSA-N 1 0 364.398 2.737 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1C(F)(F)F ZINC000610468603 520702964 /nfs/dbraw/zinc/70/29/64/520702964.db2.gz QRUVKDOCUCENSM-GJZGRUSLSA-N 1 0 359.348 2.649 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000610476245 520705263 /nfs/dbraw/zinc/70/52/63/520705263.db2.gz MZTJGLVFRZVSKW-GOSISDBHSA-N 1 0 363.458 2.680 20 5 FFBDRO O=C(NC[C@H]1CCC[N@H+](CC2CC2)C1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000598559959 520705659 /nfs/dbraw/zinc/70/56/59/520705659.db2.gz JQGGSBCGPYYLMV-CQSZACIVSA-N 1 0 356.426 2.928 20 5 FFBDRO CC(C)(C)O[C@H]1C[C@H]([NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C12CCC2 ZINC000595779127 520718315 /nfs/dbraw/zinc/71/83/15/520718315.db2.gz ZKUJSPPKMSVNDN-HOTGVXAUSA-N 1 0 361.442 2.910 20 5 FFBDRO C[NH+](C)[C@]1(CNC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CCSC1 ZINC000601276144 520720342 /nfs/dbraw/zinc/72/03/42/520720342.db2.gz IHMHFRKRAFSASL-KRWDZBQOSA-N 1 0 363.483 2.570 20 5 FFBDRO C[NH+](C)C[C@@H]1CN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])c2ccccc2O1 ZINC000593090185 520738250 /nfs/dbraw/zinc/73/82/50/520738250.db2.gz SIKJSTFDHOUWFV-OAHLLOKOSA-N 1 0 373.384 2.632 20 5 FFBDRO CC1(C)CC[C@H](CO)N(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000598649963 520762099 /nfs/dbraw/zinc/76/20/99/520762099.db2.gz VTZVCOUXOKGJKL-GFCCVEGCSA-N 1 0 355.822 2.670 20 5 FFBDRO COC(=O)[C@@H]1C[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]1C1CC1 ZINC000593130353 520769432 /nfs/dbraw/zinc/76/94/32/520769432.db2.gz OLHDIZQHTCUJIH-DLBZAZTESA-N 1 0 371.393 2.881 20 5 FFBDRO Cc1c(Cl)cc(S(=O)(=O)N(C)CCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000610657733 520783348 /nfs/dbraw/zinc/78/33/48/520783348.db2.gz WDBLARYISLRZMV-UHFFFAOYSA-N 1 0 363.867 2.519 20 5 FFBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000595900230 520804482 /nfs/dbraw/zinc/80/44/82/520804482.db2.gz BSEHLUNWTJGORF-GDBMZVCRSA-N 1 0 360.458 2.633 20 5 FFBDRO Cc1ccc(S(=O)(=O)N2CCC[C@@H](C)[C@H]2CCC[NH3+])c(C)c1[N+](=O)[O-] ZINC000598719443 520808820 /nfs/dbraw/zinc/80/88/20/520808820.db2.gz IJFVOUVSHSGYBL-IUODEOHRSA-N 1 0 369.487 2.740 20 5 FFBDRO C[C@@H]1C[N@H+](C)[C@H](C)[C@@H](C)N1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000593188212 520811557 /nfs/dbraw/zinc/81/15/57/520811557.db2.gz YXEYODZNLONPBX-RBSFLKMASA-N 1 0 360.458 2.748 20 5 FFBDRO C[C@@H]1C[N@H+](C)[C@H](C)[C@@H](C)N1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000593188803 520813772 /nfs/dbraw/zinc/81/37/72/520813772.db2.gz QBULVCHSGGLTMK-GMTAPVOTSA-N 1 0 370.247 2.910 20 5 FFBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000595962421 520840210 /nfs/dbraw/zinc/84/02/10/520840210.db2.gz RAHKEKHUOIIWQW-OAHLLOKOSA-N 1 0 363.483 2.925 20 5 FFBDRO CCc1ccc([C@@H](CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)[NH+](C)C)cc1 ZINC000596055632 520881382 /nfs/dbraw/zinc/88/13/82/520881382.db2.gz UATFEEGDNJIKIJ-GOSISDBHSA-N 1 0 356.426 2.971 20 5 FFBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2ccccc2OCc2ccncc2)c1 ZINC000610890142 520894883 /nfs/dbraw/zinc/89/48/83/520894883.db2.gz GXPGGFXZGKXZOO-UHFFFAOYSA-N 1 0 353.382 2.555 20 5 FFBDRO C[NH+](C)CCN1CCC(Nc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000596075974 520897374 /nfs/dbraw/zinc/89/73/74/520897374.db2.gz LMUMPWGFJGGDIV-UHFFFAOYSA-N 1 0 371.279 2.795 20 5 FFBDRO C[C@@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000610903573 520899284 /nfs/dbraw/zinc/89/92/84/520899284.db2.gz BPDMNCAGCOZYDX-JTQLQIEISA-N 1 0 356.220 2.571 20 5 FFBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596088648 520906688 /nfs/dbraw/zinc/90/66/88/520906688.db2.gz MUMLGSQUTRKNOV-XJKSGUPXSA-N 1 0 354.410 2.941 20 5 FFBDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)c1ccc(N)c([N+](=O)[O-])n1 ZINC000596182726 520957988 /nfs/dbraw/zinc/95/79/88/520957988.db2.gz QYHQQEOCQXXFEY-UHFFFAOYSA-N 1 0 356.430 2.710 20 5 FFBDRO NC(=O)[C@H]1C[C@H]([NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000599004508 520974595 /nfs/dbraw/zinc/97/45/95/520974595.db2.gz RUBAWWVQKHZHJZ-MQMHXKEQSA-N 1 0 359.357 2.880 20 5 FFBDRO Cc1cccc(C[N@@H+]2CC[C@H](NC(=O)c3cc([N+](=O)[O-])cnc3C)C2)c1 ZINC000601848554 520985105 /nfs/dbraw/zinc/98/51/05/520985105.db2.gz AAUUMQUFJYENOT-INIZCTEOSA-N 1 0 354.410 2.611 20 5 FFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CO)c1ccnn1C ZINC000599054310 521004129 /nfs/dbraw/zinc/00/41/29/521004129.db2.gz JCAOYLVGMFPVJW-STQMWFEESA-N 1 0 350.444 2.522 20 5 FFBDRO C[C@H]1CN(c2ccnc3cc([N+](=O)[O-])ccc32)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000593463960 521010034 /nfs/dbraw/zinc/01/00/34/521010034.db2.gz ALAQFNRJUXZWMV-HNAYVOBHSA-N 1 0 369.469 2.605 20 5 FFBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1c(Br)cccc1[N+](=O)[O-] ZINC000599083379 521022640 /nfs/dbraw/zinc/02/26/40/521022640.db2.gz KPQNIPAFZOFGPK-QWRGUYRKSA-N 1 0 368.231 2.714 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1CN(Cc2ccncc2)CCO1 ZINC000599089063 521026173 /nfs/dbraw/zinc/02/61/73/521026173.db2.gz WWQQWYJHILNOBC-LPHOPBHVSA-N 1 0 370.453 2.850 20 5 FFBDRO Cc1c(Br)c(NC[C@@H]2CCCC[N@@H+](C)C2)ncc1[N+](=O)[O-] ZINC000599140262 521050879 /nfs/dbraw/zinc/05/08/79/521050879.db2.gz UAPLXMSTWKTSSF-NSHDSACASA-N 1 0 357.252 2.626 20 5 FFBDRO CC1([NH+]2CCOCC2)CCN(c2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000599161487 521062603 /nfs/dbraw/zinc/06/26/03/521062603.db2.gz YPHNEJUWTKUGPZ-UHFFFAOYSA-N 1 0 356.426 2.834 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)ccc1NC[C@H]1CN(Cc2ccncc2)CCO1 ZINC000599183452 521075929 /nfs/dbraw/zinc/07/59/29/521075929.db2.gz OARBUFOZWUXGAU-HNNXBMFYSA-N 1 0 362.817 2.956 20 5 FFBDRO CC(C)(C)Oc1cc(N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)ccc1[N+](=O)[O-] ZINC000596537916 521121426 /nfs/dbraw/zinc/12/14/26/521121426.db2.gz JUIZTAODQGDXBQ-MRXNPFEDSA-N 1 0 363.458 2.808 20 5 FFBDRO CC(C)(C)Oc1cc(N2CCC([N@@H+]3CC[C@H](O)C3)CC2)ccc1[N+](=O)[O-] ZINC000596537915 521122070 /nfs/dbraw/zinc/12/20/70/521122070.db2.gz JUIZTAODQGDXBQ-INIZCTEOSA-N 1 0 363.458 2.808 20 5 FFBDRO CC[NH+](CC)CCCNC(=O)C1CCN(c2sccc2[N+](=O)[O-])CC1 ZINC000611411536 521142114 /nfs/dbraw/zinc/14/21/14/521142114.db2.gz LRVKRGKASYKDPN-UHFFFAOYSA-N 1 0 368.503 2.721 20 5 FFBDRO CCc1cccc(C[NH2+]Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)c1 ZINC000593689313 521158441 /nfs/dbraw/zinc/15/84/41/521158441.db2.gz RXHGFIVCFCWODO-UHFFFAOYSA-N 1 0 358.394 2.999 20 5 FFBDRO C[NH+](C)[C@@H]1C[C@@H](NC(=O)c2c(Br)cccc2[N+](=O)[O-])C1(C)C ZINC000602169125 521185070 /nfs/dbraw/zinc/18/50/70/521185070.db2.gz DZXUJRQNWPLWIY-VXGBXAGGSA-N 1 0 370.247 2.816 20 5 FFBDRO COc1cc(C[NH+]2CCC(c3nnc4n3CCC4)CC2)ccc1[N+](=O)[O-] ZINC000611515927 521196743 /nfs/dbraw/zinc/19/67/43/521196743.db2.gz SKBVHVMVZWVTGP-UHFFFAOYSA-N 1 0 357.414 2.521 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]Cc2ccc3cnccc3c2)cc1 ZINC000618728608 521203090 /nfs/dbraw/zinc/20/30/90/521203090.db2.gz BZVAQULTGQDWPJ-UHFFFAOYSA-N 1 0 371.418 2.707 20 5 FFBDRO COc1ccc([C@@H]2CCC[N@@H+]2CCn2c(C)ncc2[N+](=O)[O-])c(OC)c1 ZINC000611561542 521220900 /nfs/dbraw/zinc/22/09/00/521220900.db2.gz DQAULHGSPNPNJU-INIZCTEOSA-N 1 0 360.414 2.954 20 5 FFBDRO CCC[N@@H+]1CC[C@@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000596694809 521227443 /nfs/dbraw/zinc/22/74/43/521227443.db2.gz OBSYEIGKXRYJMT-SNVBAGLBSA-N 1 0 358.345 2.802 20 5 FFBDRO CC(C)c1n[nH]c(C(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1[N+](=O)[O-] ZINC000611583183 521236008 /nfs/dbraw/zinc/23/60/08/521236008.db2.gz LWRPCQVLPSZLNQ-OLZOCXBDSA-N 1 0 363.462 2.824 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1 ZINC000611615886 521250986 /nfs/dbraw/zinc/25/09/86/521250986.db2.gz FKPKWXMMVRTRFO-IYBDPMFKSA-N 1 0 362.474 2.932 20 5 FFBDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599512063 521268041 /nfs/dbraw/zinc/26/80/41/521268041.db2.gz YEVZPAMDYKCQJU-LLVKDONJSA-N 1 0 370.247 2.771 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000596788464 521285000 /nfs/dbraw/zinc/28/50/00/521285000.db2.gz TXJCJAXPMHEXGS-OAHLLOKOSA-N 1 0 362.430 2.586 20 5 FFBDRO Cc1ccc([C@H](CNc2ncnc3ccc([N+](=O)[O-])cc32)[NH+](C)C)cc1 ZINC000611707026 521290754 /nfs/dbraw/zinc/29/07/54/521290754.db2.gz CYIIVKFURNOFBO-SFHVURJKSA-N 1 0 351.410 2.983 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000599553445 521293662 /nfs/dbraw/zinc/29/36/62/521293662.db2.gz VAVNBEYRVHRMEA-KGLIPLIRSA-N 1 0 365.455 2.902 20 5 FFBDRO COc1ccc(OCC[NH2+][C@@]2(CO)CCCC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000599595693 521319396 /nfs/dbraw/zinc/31/93/96/521319396.db2.gz PFGRGLKOGMXUGH-SFHVURJKSA-N 1 0 352.431 2.903 20 5 FFBDRO Cc1c(NC(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000599597180 521321548 /nfs/dbraw/zinc/32/15/48/521321548.db2.gz VFEDCAZYPKLPMW-GHMZBOCLSA-N 1 0 360.336 2.894 20 5 FFBDRO Cc1c(NC(=O)N[C@H]2CC[C@H](C)[NH2+]C2)cc(Br)cc1[N+](=O)[O-] ZINC000599605869 521327003 /nfs/dbraw/zinc/32/70/03/521327003.db2.gz GBUUGNSMOWYONF-KWQFWETISA-N 1 0 371.235 2.928 20 5 FFBDRO Cc1cc(NC(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000599609800 521330848 /nfs/dbraw/zinc/33/08/48/521330848.db2.gz ASZDMQVBGARUQJ-JQWIXIFHSA-N 1 0 360.336 2.894 20 5 FFBDRO CCN(C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C)C1 ZINC000596900348 521367048 /nfs/dbraw/zinc/36/70/48/521367048.db2.gz MVBZBDKUBLPCSC-GFCCVEGCSA-N 1 0 371.235 2.915 20 5 FFBDRO CC[C@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)[C@H]1CCCCO1 ZINC000594045536 521370832 /nfs/dbraw/zinc/37/08/32/521370832.db2.gz ZGFBHQWZUFWDJV-WMLDXEAASA-N 1 0 365.430 2.869 20 5 FFBDRO COc1ccc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1F ZINC000602506695 521383731 /nfs/dbraw/zinc/38/37/31/521383731.db2.gz LDQDLCLGJTWCRX-UHFFFAOYSA-N 1 0 360.389 2.896 20 5 FFBDRO C[NH+](C)CCOc1cccc(CNCc2nc3cc([N+](=O)[O-])ccc3o2)c1 ZINC000602516431 521389990 /nfs/dbraw/zinc/38/99/90/521389990.db2.gz LKQGSSIEDMVCMJ-UHFFFAOYSA-N 1 0 370.409 2.966 20 5 FFBDRO CC(C)[C@H]1C[NH2+]CCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000602530957 521396370 /nfs/dbraw/zinc/39/63/70/521396370.db2.gz UAYJVXBIOVZJOS-OAHLLOKOSA-N 1 0 360.439 2.788 20 5 FFBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1CC[NH2+]C12CCC2 ZINC000602534872 521398509 /nfs/dbraw/zinc/39/85/09/521398509.db2.gz USLIFDCGFTVIPD-CYBMUJFWSA-N 1 0 355.847 2.741 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1cnccc1C ZINC000611940217 521403560 /nfs/dbraw/zinc/40/35/60/521403560.db2.gz ZXDNTADRCHMARV-CHWSQXEVSA-N 1 0 358.398 2.985 20 5 FFBDRO COCCOC[C@@H](C)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602567936 521415722 /nfs/dbraw/zinc/41/57/22/521415722.db2.gz OTBJXDNPTPZMNS-MRVPVSSYSA-N 1 0 353.238 2.560 20 5 FFBDRO C[C@@H](CCO)C1(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCC1 ZINC000602579535 521421131 /nfs/dbraw/zinc/42/11/31/521421131.db2.gz CEGFFSRUWJZRBE-HNNXBMFYSA-N 1 0 362.474 2.737 20 5 FFBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)NCc1cccc2c1CC[NH2+]C2 ZINC000602585382 521424310 /nfs/dbraw/zinc/42/43/10/521424310.db2.gz PEZRXMFBBSFERX-UHFFFAOYSA-N 1 0 357.435 2.649 20 5 FFBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)[C@H]1OC ZINC000602616728 521440300 /nfs/dbraw/zinc/44/03/00/521440300.db2.gz NFTBVLKTYJTUJX-GMTAPVOTSA-N 1 0 365.249 2.701 20 5 FFBDRO O=[N+]([O-])c1sc(C[NH2+]CC[C@H](O)C(F)(F)F)cc1Br ZINC000602655913 521460926 /nfs/dbraw/zinc/46/09/26/521460926.db2.gz HZZUPLTZVCUVAP-ZETCQYMHSA-N 1 0 363.155 2.822 20 5 FFBDRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000594198654 521465329 /nfs/dbraw/zinc/46/53/29/521465329.db2.gz UIHDLABNHTWJSU-STQMWFEESA-N 1 0 369.368 2.943 20 5 FFBDRO NC(=O)[C@H]1CC[C@H](C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602695563 521482809 /nfs/dbraw/zinc/48/28/09/521482809.db2.gz AHIWKWOGGJHXGX-XYPYZODXSA-N 1 0 359.348 2.995 20 5 FFBDRO O=C1C[C@@H](C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CN1C1CC1 ZINC000602714534 521491147 /nfs/dbraw/zinc/49/11/47/521491147.db2.gz ZIITZKBJTLDZCH-QMMMGPOBSA-N 1 0 374.260 2.519 20 5 FFBDRO Nc1c(NC(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc(Cl)cc1[N+](=O)[O-] ZINC000597091993 521498240 /nfs/dbraw/zinc/49/82/40/521498240.db2.gz HULQDHKBQILLKA-YPMHNXCESA-N 1 0 367.837 2.969 20 5 FFBDRO O=[N+]([O-])c1ccc(CC[NH2+]CC2(OCCO)CCC(F)(F)CC2)cc1 ZINC000602723573 521498831 /nfs/dbraw/zinc/49/88/31/521498831.db2.gz MVQXJMBXSXKKSP-UHFFFAOYSA-N 1 0 358.385 2.684 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](C)c1ccc(-n2cccn2)c(F)c1 ZINC000602834009 521560611 /nfs/dbraw/zinc/56/06/11/521560611.db2.gz XZVHRUARNRUXDG-LBPRGKRZSA-N 1 0 358.377 2.775 20 5 FFBDRO CC(C)[N@@H+]1CCCC[C@H]1CN1C(=O)N[C@@](C)(c2cccc([N+](=O)[O-])c2)C1=O ZINC000619864427 521908692 /nfs/dbraw/zinc/90/86/92/521908692.db2.gz OZJKWYBURAEOJN-LPHOPBHVSA-N 1 0 374.441 2.625 20 5 FFBDRO COc1ccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1-c1nn[nH]n1 ZINC000821805969 599409239 /nfs/dbraw/zinc/40/92/39/599409239.db2.gz YPNWZOYXPBGJDL-LLVKDONJSA-N 1 0 354.370 2.634 20 5 FFBDRO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])c(-c2nn[nH]n2)c1)c1cccc(F)c1 ZINC000825851946 607448870 /nfs/dbraw/zinc/44/88/70/607448870.db2.gz YPJOJSSPTWYZPK-INIZCTEOSA-N 1 0 371.376 2.629 20 5 FFBDRO CC(C)C[N@@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000820092469 607467398 /nfs/dbraw/zinc/46/73/98/607467398.db2.gz MILPFZYPUVMGCH-ZDUSSCGKSA-N 1 0 359.434 2.555 20 5 FFBDRO CC(C)CC[NH+]1CCC(CNc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000820076574 606199204 /nfs/dbraw/zinc/19/92/04/606199204.db2.gz NLTLGBSGUHJQQJ-UHFFFAOYSA-N 1 0 373.461 2.945 20 5 FFBDRO CCCC[N@H+](C)CC1CCN(c2ccc(-c3nn[nH]n3)c([N+](=O)[O-])c2)CC1 ZINC000821061030 606645456 /nfs/dbraw/zinc/64/54/56/606645456.db2.gz KLOYSFALBKUFAK-UHFFFAOYSA-N 1 0 373.461 2.723 20 5 FFBDRO C[N@@H+]1CC[C@H](Nc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000826028461 607967785 /nfs/dbraw/zinc/96/77/85/607967785.db2.gz APOUIAIRWJQIHV-DOTOQJQBSA-N 1 0 365.397 2.632 20 5 FFBDRO C[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1ccc(-c2nn[nH]n2)cc1 ZINC000824598303 608465086 /nfs/dbraw/zinc/46/50/86/608465086.db2.gz DMOHZWPWSUPLFM-LBPRGKRZSA-N 1 0 354.370 2.505 20 5 FFBDRO CC[C@H]([NH2+]CCOc1ccccc1-c1nn[nH]n1)c1cccc([N+](=O)[O-])c1 ZINC000825140174 608552066 /nfs/dbraw/zinc/55/20/66/608552066.db2.gz JHMGWFFKHMNOOO-INIZCTEOSA-N 1 0 368.397 2.895 20 5 FFBDRO CC[C@H]([NH2+]C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000825141837 608552285 /nfs/dbraw/zinc/55/22/85/608552285.db2.gz QOBNTZGDLGUZNO-DLBZAZTESA-N 1 0 368.397 2.549 20 5 FFBDRO [NH3+]C1([C@H]2CN(C(F)(F)c3cc([N+](=O)[O-])cnc3Cl)C[C@H]2CF)CC1 ZINC001164630950 719117924 /nfs/dbraw/zinc/11/79/24/719117924.db2.gz XWLFQRMLYXEGGB-KCJUWKMLSA-N 1 0 364.755 2.701 20 5 FFBDRO O=[N+]([O-])c1cnc(Cl)cc1N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164727317 720348883 /nfs/dbraw/zinc/34/88/83/720348883.db2.gz SUNFDVAHRDOQTI-KBPBESRZSA-N 1 0 359.817 2.891 20 5 FFBDRO COc1nc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)ccc1[N+](=O)[O-] ZINC001164858631 720936495 /nfs/dbraw/zinc/93/64/95/720936495.db2.gz JPQGCMIFOJNGNL-ZDUSSCGKSA-N 1 0 374.445 2.616 20 5 FFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCCN(CCF)C1 ZINC000898484632 735366760 /nfs/dbraw/zinc/36/67/60/735366760.db2.gz VLRKCVVBBUZFIQ-STQMWFEESA-N 1 0 355.435 2.626 20 5 FFBDRO CC[C@H](C(=O)O[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])[NH+](CC)CC ZINC000745096500 735399043 /nfs/dbraw/zinc/39/90/43/735399043.db2.gz WTRABZZGPCBOHW-TZMCWYRMSA-N 1 0 351.403 2.585 20 5 FFBDRO COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000746662694 735502590 /nfs/dbraw/zinc/50/25/90/735502590.db2.gz GCTGOXKVZJOOGE-STQMWFEESA-N 1 0 369.849 2.611 20 5 FFBDRO CCO[C@@H]1C[C@H](N(C)Cn2cc(Br)c([N+](=O)[O-])n2)C12CCC2 ZINC000127157290 728705615 /nfs/dbraw/zinc/70/56/15/728705615.db2.gz HTVZKNMNEJJILR-NWDGAFQWSA-N 1 0 373.251 2.791 20 5 FFBDRO CCOC(=O)CC[C@H]1CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000246607879 729588471 /nfs/dbraw/zinc/58/84/71/729588471.db2.gz HPTORXQLSDURJJ-RHSMWYFYSA-N 1 0 350.415 2.684 20 5 FFBDRO C[C@H]([NH2+][C@@H]1[C@H](C)O[C@@H](C)[C@H]1C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000859825706 730466771 /nfs/dbraw/zinc/46/67/71/730466771.db2.gz NLKKVOJYGGJHJE-YQEZVOHVSA-N 1 0 355.822 2.977 20 5 FFBDRO C[NH+](C)[C@]1(CNC(=O)c2cc([N+](=O)[O-])cc3ccccc32)CCSC1 ZINC000859856029 730467521 /nfs/dbraw/zinc/46/75/21/730467521.db2.gz YIBDCUHZDVGVIQ-SFHVURJKSA-N 1 0 359.451 2.915 20 5 FFBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000859901238 730468781 /nfs/dbraw/zinc/46/87/81/730468781.db2.gz JPTCFXOKEKWXAP-WDEREUQCSA-N 1 0 370.247 2.960 20 5 FFBDRO CC[C@@H]([NH2+][C@@H](C)C1CCN(S(C)(=O)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000925231094 738491832 /nfs/dbraw/zinc/49/18/32/738491832.db2.gz RONCSSKWLNAOTL-SUMWQHHRSA-N 1 0 369.487 2.696 20 5 FFBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000863562580 730790570 /nfs/dbraw/zinc/79/05/70/730790570.db2.gz LOMVNMILWFEVIH-MZPVMMEZSA-N 1 0 366.849 2.507 20 5 FFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC(C)(C)[C@@]1(O)CCCOC1 ZINC000866391188 731054334 /nfs/dbraw/zinc/05/43/34/731054334.db2.gz CBQIAQZJNPGBPF-FZKQIMNGSA-N 1 0 354.422 2.822 20 5 FFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H]1CC2(CO1)CCOCC2 ZINC000866535705 731071915 /nfs/dbraw/zinc/07/19/15/731071915.db2.gz WMLQECWIGYXMNP-CZUORRHYSA-N 1 0 352.406 2.840 20 5 FFBDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)Cc2cccc(F)c2[N+](=O)[O-])C1 ZINC000866841430 731107104 /nfs/dbraw/zinc/10/71/04/731107104.db2.gz BWZCCPCXVCWPOV-AWEZNQCLSA-N 1 0 351.422 2.761 20 5 FFBDRO CC(C)[NH+]1CCC(CCNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000867653149 731210118 /nfs/dbraw/zinc/21/01/18/731210118.db2.gz PRSUQEHBXLIYMX-UHFFFAOYSA-N 1 0 369.487 2.525 20 5 FFBDRO C[C@]([NH3+])(C(=O)NCCSCCC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000867995662 731249659 /nfs/dbraw/zinc/24/96/59/731249659.db2.gz UXBSMVJJRHINKG-CYBMUJFWSA-N 1 0 365.377 2.571 20 5 FFBDRO C[C@H](NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872037250 731723101 /nfs/dbraw/zinc/72/31/01/731723101.db2.gz CRJNCTXNEGFRER-KBPBESRZSA-N 1 0 351.422 2.885 20 5 FFBDRO C[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)[C@@H]1O)c1c(F)cccc1[N+](=O)[O-] ZINC000872068226 731725943 /nfs/dbraw/zinc/72/59/43/731725943.db2.gz FODDWGUCBXQRIU-OGHNNQOOSA-N 1 0 352.406 2.952 20 5 FFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CC1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000872118950 731731323 /nfs/dbraw/zinc/73/13/23/731731323.db2.gz MADNTFQHZRKQTE-IAYQEVDDSA-N 1 0 350.440 2.528 20 5 FFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000872120257 731731696 /nfs/dbraw/zinc/73/16/96/731731696.db2.gz PXRSGAFOORSEJV-ZBSSRIJBSA-N 1 0 366.483 2.861 20 5 FFBDRO Cc1csc([C@H]2CC[N@H+](Cn3nc(C)c4cc([N+](=O)[O-])cnc43)C2)n1 ZINC000872806086 731834236 /nfs/dbraw/zinc/83/42/36/731834236.db2.gz IREYRFOSVHZYFO-LBPRGKRZSA-N 1 0 358.427 2.860 20 5 FFBDRO Cc1cc(F)cc(C(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000877016566 732312428 /nfs/dbraw/zinc/31/24/28/732312428.db2.gz OCGVNLGWKDQURU-SKDRFNHKSA-N 1 0 363.311 2.642 20 5 FFBDRO CC(C)c1ccc(C(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000877356584 732349115 /nfs/dbraw/zinc/34/91/15/732349115.db2.gz HBFRKPBOBNBSTN-YPMHNXCESA-N 1 0 359.348 2.927 20 5 FFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)c1 ZINC000877366704 732352721 /nfs/dbraw/zinc/35/27/21/732352721.db2.gz AHJOMJIOOXLRGW-KCJUWKMLSA-N 1 0 363.361 2.526 20 5 FFBDRO CSc1ccc(C(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000877367720 732353002 /nfs/dbraw/zinc/35/30/02/732353002.db2.gz QDNZVSJFASDNKX-ZJUUUORDSA-N 1 0 363.361 2.526 20 5 FFBDRO CC(C)[C@@H](C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)C(=O)OC(C)(C)C ZINC000877618000 732398974 /nfs/dbraw/zinc/39/89/74/732398974.db2.gz BZCXIFQIBXUQLW-SSDMNJCBSA-N 1 0 352.435 2.698 20 5 FFBDRO COC(=O)[C@]12C[C@H]1C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)C2 ZINC000877722598 732419214 /nfs/dbraw/zinc/41/92/14/732419214.db2.gz BCMMLIHFSIEJGD-GDLVEWKHSA-N 1 0 356.325 2.628 20 5 FFBDRO C[N@@H+](Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C[C@@H]1CCOC1 ZINC000878168897 732492188 /nfs/dbraw/zinc/49/21/88/732492188.db2.gz WYNRFXWFKRMXFS-JTQLQIEISA-N 1 0 352.778 2.767 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(C[N@@H+]2CC[C@@H]3COC[C@H]3C2)o1 ZINC000878991189 732627723 /nfs/dbraw/zinc/62/77/23/732627723.db2.gz VSVOYSCVMUBRIB-GHMZBOCLSA-N 1 0 364.789 2.767 20 5 FFBDRO C[N@@H+]1CC[C@H]2CN(Cc3cccc([N+](=O)[O-])c3Br)CC[C@@H]21 ZINC000879579076 732728488 /nfs/dbraw/zinc/72/84/88/732728488.db2.gz JOGUXXVIHKTPHR-AAEUAGOBSA-N 1 0 354.248 2.883 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000880202073 732864817 /nfs/dbraw/zinc/86/48/17/732864817.db2.gz GEVYFSVJZLJMQA-MRXNPFEDSA-N 1 0 353.850 2.981 20 5 FFBDRO O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000881469689 733058937 /nfs/dbraw/zinc/05/89/37/733058937.db2.gz MKKIBPGIWIQFTI-CQSZACIVSA-N 1 0 367.833 2.621 20 5 FFBDRO C[NH+]1CCC2(CCN2C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CC1 ZINC000782115154 738690188 /nfs/dbraw/zinc/69/01/88/738690188.db2.gz FXASRFSFETZPCZ-UHFFFAOYSA-N 1 0 355.341 2.507 20 5 FFBDRO CC1([NH+]2CCC2)CCN(c2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000882962810 733315286 /nfs/dbraw/zinc/31/52/86/733315286.db2.gz DTXJIOVJODVPNG-UHFFFAOYSA-N 1 0 355.236 2.817 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CC[C@@H]1CCCS1(=O)=O)CCCC2 ZINC000883309153 733367018 /nfs/dbraw/zinc/36/70/18/733367018.db2.gz FVAPBQWGJDZLNG-RDJZCZTQSA-N 1 0 352.456 2.919 20 5 FFBDRO C[NH+]1CCC(n2ccc(NC(=S)Nc3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000782449420 738723064 /nfs/dbraw/zinc/72/30/64/738723064.db2.gz ZOHZKCJTEXWRCG-UHFFFAOYSA-N 1 0 360.443 2.867 20 5 FFBDRO [NH3+]CCN(Cc1ccc(Br)c([N+](=O)[O-])c1)CC(F)(F)F ZINC000713329205 734367958 /nfs/dbraw/zinc/36/79/58/734367958.db2.gz MCWNNVMUCUHEEV-UHFFFAOYSA-N 1 0 356.142 2.680 20 5 FFBDRO CC(C)[NH+](CCNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(C)C ZINC000725819123 734393271 /nfs/dbraw/zinc/39/32/71/734393271.db2.gz JWSUTOVJBPMOJR-UHFFFAOYSA-N 1 0 363.867 2.645 20 5 FFBDRO C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000895277843 734985912 /nfs/dbraw/zinc/98/59/12/734985912.db2.gz CSDNHEZQUUEUJB-LBPRGKRZSA-N 1 0 360.801 2.994 20 5 FFBDRO CC1([NH+]2CCC2)CCC(Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000896257925 735127401 /nfs/dbraw/zinc/12/74/01/735127401.db2.gz SCISQRDPIZMTPH-UHFFFAOYSA-N 1 0 367.471 2.817 20 5 FFBDRO COC(=O)/C=C\c1ccc(NC[C@@]2([NH+](C)C)CCSC2)c([N+](=O)[O-])c1 ZINC000748280626 735632731 /nfs/dbraw/zinc/63/27/31/735632731.db2.gz CLDPJMPGHNVRQI-WVRJYTFGSA-N 1 0 365.455 2.630 20 5 FFBDRO COc1cc([C@H](C)[NH2+][C@@H]2CCOC3(CCOCC3)C2)cc([N+](=O)[O-])c1 ZINC000903125704 736037104 /nfs/dbraw/zinc/03/71/04/736037104.db2.gz NVRDKVYGKWCROD-DZGCQCFKSA-N 1 0 350.415 2.982 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]C[C@@H](O)CC1(CO)CCCC1 ZINC000905203237 736309125 /nfs/dbraw/zinc/30/91/25/736309125.db2.gz PLXUQRNHJFCDEZ-HNNXBMFYSA-N 1 0 356.850 2.684 20 5 FFBDRO C[C@@H](C[NH2+]C[C@@H](O)COCc1cccs1)c1ccccc1[N+](=O)[O-] ZINC000905641131 736374403 /nfs/dbraw/zinc/37/44/03/736374403.db2.gz AZWLAHQKMDKBJG-UONOGXRCSA-N 1 0 350.440 2.927 20 5 FFBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000757258927 736399329 /nfs/dbraw/zinc/39/93/29/736399329.db2.gz ADRCZZWUXTVJPJ-AWEZNQCLSA-N 1 0 352.822 2.628 20 5 FFBDRO C[NH+]1CCC([C@@H]2CCN(C(=O)c3cc(Cl)c(N)c([N+](=O)[O-])c3)C2)CC1 ZINC000907127380 736586702 /nfs/dbraw/zinc/58/67/02/736586702.db2.gz FSNSNEJXOUVXML-GFCCVEGCSA-N 1 0 366.849 2.634 20 5 FFBDRO CC[N@H+](C[C@H]1CCOC1)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000764197672 737000889 /nfs/dbraw/zinc/00/08/89/737000889.db2.gz PQEPPNYUUJSXAO-VXGBXAGGSA-N 1 0 355.822 2.934 20 5 FFBDRO CC[N@@H+]1CCCN(C(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000910285588 737052794 /nfs/dbraw/zinc/05/27/94/737052794.db2.gz SGUFUOJAIJBKQL-LBPRGKRZSA-N 1 0 367.471 2.882 20 5 FFBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912907501 737356698 /nfs/dbraw/zinc/35/66/98/737356698.db2.gz NLJMSGYBJMJOAR-LLVKDONJSA-N 1 0 368.231 2.586 20 5 FFBDRO CN(CCC(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)c1cc[nH+]cc1 ZINC000913385175 737396616 /nfs/dbraw/zinc/39/66/16/737396616.db2.gz SCKNQUWPWFPPMD-UHFFFAOYSA-N 1 0 366.780 2.925 20 5 FFBDRO C[NH+](C)C1(C)CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000913393643 737398466 /nfs/dbraw/zinc/39/84/66/737398466.db2.gz WCXYIPLKPIKWCM-UHFFFAOYSA-N 1 0 351.422 2.954 20 5 FFBDRO CCC1([NH+](C)C)CCN(C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)CC1 ZINC000913662451 737428213 /nfs/dbraw/zinc/42/82/13/737428213.db2.gz LKZGHKWMEJCLAO-UHFFFAOYSA-N 1 0 354.838 2.777 20 5 FFBDRO CCC[C@]1(CO)CCC[N@@H+]1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000769914409 737583702 /nfs/dbraw/zinc/58/37/02/737583702.db2.gz ZADDUJDXIURPOF-MRXNPFEDSA-N 1 0 355.822 2.814 20 5 FFBDRO CC[NH+](CC)CCOC(=O)c1cc([N+](=O)[O-])c(Br)cc1F ZINC000772180883 737794042 /nfs/dbraw/zinc/79/40/42/737794042.db2.gz GWHMIUOIWWLFJV-UHFFFAOYSA-N 1 0 363.183 2.995 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CC2(N3CCSCC3)CCCC2)cc1 ZINC000776274391 738176637 /nfs/dbraw/zinc/17/66/37/738176637.db2.gz DALHNVKFRJULJI-QGZVFWFLSA-N 1 0 365.499 2.579 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2CCS[C@H](C)C2)cc1[N+](=O)[O-] ZINC000922835814 738207482 /nfs/dbraw/zinc/20/74/82/738207482.db2.gz FSXYGAQPRHRSTP-DGCLKSJQSA-N 1 0 354.428 2.520 20 5 FFBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778247732 738366451 /nfs/dbraw/zinc/36/64/51/738366451.db2.gz OCHOVOWCBJAOKI-QWHCGFSZSA-N 1 0 355.385 2.923 20 5 FFBDRO C[NH+](C)CCN(C(=O)c1cc2nsnc2c([N+](=O)[O-])c1)C1CCCC1 ZINC000778272306 738368434 /nfs/dbraw/zinc/36/84/34/738368434.db2.gz GLMZECDDODLJEN-UHFFFAOYSA-N 1 0 363.443 2.546 20 5 FFBDRO O=[N+]([O-])c1ccc(Br)c(CN2CCC[C@H](n3ccnn3)C2)c1 ZINC000930759237 739158518 /nfs/dbraw/zinc/15/85/18/739158518.db2.gz LCQOTZZDMWFXBF-ZDUSSCGKSA-N 1 0 366.219 2.786 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CCC([N@@H+]2CCCOCC2)CC1 ZINC000931284405 739237750 /nfs/dbraw/zinc/23/77/50/739237750.db2.gz RLMCNTRGCAUDDZ-UHFFFAOYSA-N 1 0 353.850 2.935 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)CCc2cc(F)ccc2[N+](=O)[O-])C[C@H]1C ZINC000933368810 739611089 /nfs/dbraw/zinc/61/10/89/739611089.db2.gz LFUONBXSXPSPMP-CJNGLKHVSA-N 1 0 351.422 2.998 20 5 FFBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC000933436615 739624860 /nfs/dbraw/zinc/62/48/60/739624860.db2.gz USEFGVWPLFOPOW-IUODEOHRSA-N 1 0 353.850 2.979 20 5 FFBDRO C[C@H]1C[C@H](N(C)C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)CC[N@@H+]1C ZINC000933440250 739626421 /nfs/dbraw/zinc/62/64/21/739626421.db2.gz CJVOLHRQAMPQPS-DTWKUNHWSA-N 1 0 358.801 2.524 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCCSC[C@H]1C1CC1 ZINC000933913395 739704063 /nfs/dbraw/zinc/70/40/63/739704063.db2.gz BUXXPFXRIBICBI-ZBFHGGJFSA-N 1 0 352.456 2.552 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCCSC[C@@H]1C1CC1 ZINC000933913391 739704167 /nfs/dbraw/zinc/70/41/67/739704167.db2.gz BUXXPFXRIBICBI-GOEBONIOSA-N 1 0 352.456 2.552 20 5 FFBDRO [NH3+]CCN(Cc1cncc(Br)c1)c1ccc([N+](=O)[O-])cc1 ZINC000809734244 741337899 /nfs/dbraw/zinc/33/78/99/741337899.db2.gz BMYYCOCWZFBGAL-UHFFFAOYSA-N 1 0 351.204 2.718 20 5 FFBDRO C[C@H](O)C[N@@H+]1CCN(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000809982022 741369328 /nfs/dbraw/zinc/36/93/28/741369328.db2.gz FOBHJCXRQWGUNY-QWRGUYRKSA-N 1 0 362.257 2.789 20 5 FFBDRO Cc1cccc(Cl)c1C[N@@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985425335 741394440 /nfs/dbraw/zinc/39/44/40/741394440.db2.gz GFGPKHAXOQBSIX-RHSMWYFYSA-N 1 0 365.861 2.736 20 5 FFBDRO Cc1ccc(C[N@@H+](C)C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c(Cl)c1 ZINC000985426205 741394628 /nfs/dbraw/zinc/39/46/28/741394628.db2.gz NAMAKZAGZRGBIV-NVXWUHKLSA-N 1 0 365.861 2.736 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000813634296 741741695 /nfs/dbraw/zinc/74/16/95/741741695.db2.gz HZZKXJCXPSTGTC-MRXNPFEDSA-N 1 0 353.806 2.567 20 5 FFBDRO C[C@@H](C[N+](=O)[O-])OC(=O)c1ccccc1OCC[N@@H+]1CCCC[C@@H]1C ZINC000814045108 741787781 /nfs/dbraw/zinc/78/77/81/741787781.db2.gz MTIWIMDSXLCWFA-GJZGRUSLSA-N 1 0 350.415 2.762 20 5 FFBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000817310746 742122022 /nfs/dbraw/zinc/12/20/22/742122022.db2.gz LEQWYHREQUMUFW-LLVKDONJSA-N 1 0 371.235 2.915 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCOc2ncc(Cl)cc2Cl)c1 ZINC000819161983 742346298 /nfs/dbraw/zinc/34/62/98/742346298.db2.gz NADNNQLMHNUQFF-CQSZACIVSA-N 1 0 372.208 2.999 20 5 FFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCOc2ncc(Cl)cc2Cl)c1 ZINC000819161981 742346492 /nfs/dbraw/zinc/34/64/92/742346492.db2.gz NADNNQLMHNUQFF-AWEZNQCLSA-N 1 0 372.208 2.999 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@H]2COC3(CCCCCC3)O2)cc1 ZINC000819211763 742354282 /nfs/dbraw/zinc/35/42/82/742354282.db2.gz FKWBCGSMBIPTBN-IRXDYDNUSA-N 1 0 350.415 2.684 20 5 FFBDRO Cc1nc2c(s1)[C@@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)CCC2 ZINC000819216116 742355677 /nfs/dbraw/zinc/35/56/77/742355677.db2.gz CTLSAGXDTLPKAP-ZFWWWQNUSA-N 1 0 363.439 2.767 20 5 FFBDRO CC(C)(C)OC(=O)C(C)(C)CC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819384386 742384092 /nfs/dbraw/zinc/38/40/92/742384092.db2.gz XXPCGFVSRJVQSW-HNNXBMFYSA-N 1 0 352.431 2.976 20 5 FFBDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)CCc3c(Cl)cccc3[N+](=O)[O-])C2)C1 ZINC000820342969 742493442 /nfs/dbraw/zinc/49/34/42/742493442.db2.gz PEZDIYBOSFDDPO-QGZVFWFLSA-N 1 0 351.834 2.735 20 5 FFBDRO C[NH+](C)CCC[C@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CCO1 ZINC000823252561 742865569 /nfs/dbraw/zinc/86/55/69/742865569.db2.gz DKVYTLGOTFJSOO-LBPRGKRZSA-N 1 0 370.837 2.823 20 5 FFBDRO C[N@@H+]1CC[C@H]2CN(C(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)CC[C@@H]21 ZINC000827296189 743550054 /nfs/dbraw/zinc/55/00/54/743550054.db2.gz CUGGXENDNKZWTD-HZMBPMFUSA-N 1 0 357.332 2.780 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2csc(N3CC[NH+](CCCCO)CC3)n2)cc1 ZINC000827674749 744959039 /nfs/dbraw/zinc/95/90/39/744959039.db2.gz KYYFCMCOAGYZPZ-UHFFFAOYSA-N 1 0 362.455 2.613 20 5 FFBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)Nc3ccc(Br)c([N+](=O)[O-])c3)C[C@@H]21 ZINC000836477682 746233818 /nfs/dbraw/zinc/23/38/18/746233818.db2.gz NRUQSIXZCXEUQM-RNCFNFMXSA-N 1 0 369.219 2.525 20 5 FFBDRO CC(C)(C)OC(=O)[C@@]1(C)CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000839106003 746775905 /nfs/dbraw/zinc/77/59/05/746775905.db2.gz ZGIAADXVXYTMFI-QAPCUYQASA-N 1 0 350.415 2.682 20 5 FFBDRO CCOC[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000839183885 746797174 /nfs/dbraw/zinc/79/71/74/746797174.db2.gz PQIBWUQJVFHMBI-AWEZNQCLSA-N 1 0 353.394 2.954 20 5 FFBDRO CN(CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000839601115 746868445 /nfs/dbraw/zinc/86/84/45/746868445.db2.gz MHODZYKLGWKGSB-PBWFPOADSA-N 1 0 366.849 2.744 20 5 FFBDRO C[N@@H+]1CCC[C@]2(CCN(Cn3ncc4cc([N+](=O)[O-])cc(Cl)c43)C2)C1 ZINC000840085203 746995296 /nfs/dbraw/zinc/99/52/96/746995296.db2.gz BRCMXDQVYVGHCX-KRWDZBQOSA-N 1 0 363.849 2.973 20 5 FFBDRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000841099337 747269030 /nfs/dbraw/zinc/26/90/30/747269030.db2.gz IFYNBNKSDRSIGC-SJORKVTESA-N 1 0 353.850 2.967 20 5 FFBDRO O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000841160251 747283883 /nfs/dbraw/zinc/28/38/83/747283883.db2.gz AODSKPAFVMIXKD-PHIMTYICSA-N 1 0 369.219 2.716 20 5 FFBDRO O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N[C@@H]1CCC[NH2+]CC1 ZINC000841161893 747285008 /nfs/dbraw/zinc/28/50/08/747285008.db2.gz PKFUQLPWINAVRE-SECBINFHSA-N 1 0 357.208 2.621 20 5 FFBDRO C[C@H](N[C@@H]1[C@@H](C)CC[NH2+][C@H]1C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000842476533 747612858 /nfs/dbraw/zinc/61/28/58/747612858.db2.gz QPQKLMLONXFBSD-USXUVBGUSA-N 1 0 354.838 2.551 20 5 FFBDRO Cc1cc(S(=O)(=O)NCc2ccc([C@H](C)[NH3+])cc2)cc([N+](=O)[O-])c1F ZINC000842733848 747672568 /nfs/dbraw/zinc/67/25/68/747672568.db2.gz ALVNFBINVRLTTF-NSHDSACASA-N 1 0 367.402 2.541 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@H](O)c2c(F)cccc2Cl)cc1 ZINC000843084272 747764893 /nfs/dbraw/zinc/76/48/93/747764893.db2.gz OQSIMTXDVVPMKW-CABCVRRESA-N 1 0 354.765 2.744 20 5 FFBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000843367815 747819318 /nfs/dbraw/zinc/81/93/18/747819318.db2.gz HWNZXKUQKNGAAK-REJLFOLJSA-N 1 0 366.849 2.634 20 5 FFBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000843379700 747821487 /nfs/dbraw/zinc/82/14/87/747821487.db2.gz JMBGHEDNVZFAAF-PXAZEXFGSA-N 1 0 366.849 2.651 20 5 FFBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCC2(C1)CC[NH2+]CC2 ZINC000843454787 747839799 /nfs/dbraw/zinc/83/97/99/747839799.db2.gz VSLMBEMYYIOZRQ-UHFFFAOYSA-N 1 0 369.874 2.942 20 5 FFBDRO C[C@@H]1C[N@H+](C)[C@H](C)[C@@H](C)N1C(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000844640411 748062139 /nfs/dbraw/zinc/06/21/39/748062139.db2.gz HIHULKSWUCLNLS-GMTAPVOTSA-N 1 0 370.247 2.910 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(Cl)cc1N1CC[NH+](CC2CCOCC2)CC1 ZINC000845491238 748268921 /nfs/dbraw/zinc/26/89/21/748268921.db2.gz IKSJCHPYSRBDIF-UHFFFAOYSA-N 1 0 357.813 2.936 20 5 FFBDRO C[C@@H]([C@H](OC(=O)C1CC[NH+](C2CC2)CC1)c1ccccc1F)[N+](=O)[O-] ZINC000845881681 748343745 /nfs/dbraw/zinc/34/37/45/748343745.db2.gz MBVKUWJFCFNSOZ-SJCJKPOMSA-N 1 0 350.390 2.950 20 5 FFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000850592154 749392372 /nfs/dbraw/zinc/39/23/72/749392372.db2.gz MYLIQUYSMXLXEQ-NSHDSACASA-N 1 0 373.862 2.510 20 5 FFBDRO CNc1nccc(C(=O)Nc2ccc(C)cc2OCC[NH+](C)C)c1[N+](=O)[O-] ZINC000521269147 821191293 /nfs/dbraw/zinc/19/12/93/821191293.db2.gz RSGQJCSELSNDET-UHFFFAOYSA-N 1 0 373.413 2.533 20 5 FFBDRO COc1ccc2c(c1)[nH+]ccc2N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000840309790 971033894 /nfs/dbraw/zinc/03/38/94/971033894.db2.gz FBOASCSPLFADQT-UHFFFAOYSA-N 1 0 365.393 2.873 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H](CO)c2cccc(C(F)(F)F)c2)cc1 ZINC000872216716 1013182162 /nfs/dbraw/zinc/18/21/62/1013182162.db2.gz BRBBSCRWMVPCGP-HZPDHXFCSA-N 1 0 370.327 2.970 20 5 FFBDRO COC(=O)c1cnc(N2CC3(CC[NH2+]CC3)c3ccccc32)c([N+](=O)[O-])c1 ZINC001167071108 959478897 /nfs/dbraw/zinc/47/88/97/959478897.db2.gz VFUYRMPVMBILEN-UHFFFAOYSA-N 1 0 368.393 2.549 20 5 FFBDRO Cn1c2ccccc2c(N2CCC([NH+]3CCCCC3)CC2)c([N+](=O)[O-])c1=O ZINC000891891733 965341559 /nfs/dbraw/zinc/34/15/59/965341559.db2.gz CKNXNQGVPHOUBV-UHFFFAOYSA-N 1 0 370.453 2.901 20 5 FFBDRO C[C@@H]1CCCCN1C(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000934044162 965540989 /nfs/dbraw/zinc/54/09/89/965540989.db2.gz PZMJYLLQDCCACI-CQSZACIVSA-N 1 0 361.446 2.753 20 5 FFBDRO C[C@H]1CCN(C(=O)Nc2cc(N3CC[NH+](C)CC3)ccc2[N+](=O)[O-])[C@H]1C ZINC000934041544 965541632 /nfs/dbraw/zinc/54/16/32/965541632.db2.gz CQRCGSNVROIWOI-KBPBESRZSA-N 1 0 361.446 2.609 20 5 FFBDRO CC(C)(C)[C@@H]1CCC[N@@H+]1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000729475143 965876903 /nfs/dbraw/zinc/87/69/03/965876903.db2.gz QRNXUKZPAYNKDI-SFHVURJKSA-N 1 0 374.485 2.754 20 5 FFBDRO CCC[NH+]1CCC(N(C)c2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])CC1 ZINC000892161727 966141102 /nfs/dbraw/zinc/14/11/02/966141102.db2.gz PGYNUSRXWWVMRO-UHFFFAOYSA-N 1 0 358.442 2.757 20 5 FFBDRO Cn1c2ccccc2c(N2CCC(C)([NH+]3CCCC3)CC2)c([N+](=O)[O-])c1=O ZINC000894905037 967078046 /nfs/dbraw/zinc/07/80/46/967078046.db2.gz XFFGKSUKZUQICV-UHFFFAOYSA-N 1 0 370.453 2.901 20 5 FFBDRO NC(=O)[C@]1(c2ccccc2)CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000895005295 967150545 /nfs/dbraw/zinc/15/05/45/967150545.db2.gz WYXWEVQTOQVBML-CPSHHHPTSA-N 1 0 351.406 2.737 20 5 FFBDRO CC[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ccc(Cl)c(Cl)c1 ZINC001267241083 967381359 /nfs/dbraw/zinc/38/13/59/967381359.db2.gz JQNGFADHUKWBGM-BXUZGUMPSA-N 1 0 360.241 2.597 20 5 FFBDRO C[C@@H](C(=O)N1CCN(c2cc[nH+]cc2)C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000895267962 968874358 /nfs/dbraw/zinc/87/43/58/968874358.db2.gz JQQSQFWHCJMFCU-LSDHHAIUSA-N 1 0 354.410 2.831 20 5 FFBDRO Cc1c(CC(=O)N2CCN(c3cc[nH+]cc3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000895268758 968876771 /nfs/dbraw/zinc/87/67/71/968876771.db2.gz PXDMAHCDXPPZSL-CQSZACIVSA-N 1 0 354.410 2.578 20 5 FFBDRO O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000189005347 969787663 /nfs/dbraw/zinc/78/76/63/969787663.db2.gz KRNBZXNGHAPFAX-RHSMWYFYSA-N 1 0 361.348 2.749 20 5 FFBDRO CN1CCC[C@H]1c1cc(C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)n[nH]1 ZINC000897139630 973377098 /nfs/dbraw/zinc/37/70/98/973377098.db2.gz OKOUJQWNQKIZFM-SFHVURJKSA-N 1 0 369.425 2.889 20 5 FFBDRO CCOc1ccc(C(=O)N2CCN(c3cc[nH+]cc3)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000893447499 974073034 /nfs/dbraw/zinc/07/30/34/974073034.db2.gz GQGFLBFPQVHOFW-CQSZACIVSA-N 1 0 370.409 2.739 20 5 FFBDRO Cc1cc(F)cc(C(=O)N2CCN(c3cc[nH+]cc3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000893448442 974080819 /nfs/dbraw/zinc/08/08/19/974080819.db2.gz WLLOPRRSUIYFAZ-ZDUSSCGKSA-N 1 0 358.373 2.788 20 5 FFBDRO CCCSc1nc(Cl)c([N+](=O)[O-])c(NC(=N)SCC[NH3+])n1 ZINC001167910415 977644143 /nfs/dbraw/zinc/64/41/43/977644143.db2.gz PAERGIAFGGGLJQ-UHFFFAOYSA-N 1 0 350.857 2.579 20 5 FFBDRO Cc1c(C(=O)NCC[N@H+]2CCC[C@H](C)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000126245365 1014431457 /nfs/dbraw/zinc/43/14/57/1014431457.db2.gz WLOIEUPIRRVJOR-NSHDSACASA-N 1 0 364.402 2.582 20 5 FFBDRO CCc1ccc(C[NH2+]CCC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1 ZINC001481998217 977905431 /nfs/dbraw/zinc/90/54/31/977905431.db2.gz OYOZLWMYCBYPPT-RTBURBONSA-N 1 0 359.470 2.633 20 5 FFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@H](O)c3cccc(C(F)(F)F)c3)C2)c1 ZINC000877025498 1014452662 /nfs/dbraw/zinc/45/26/62/1014452662.db2.gz MHPUHYOYKWAQJL-PIMMBPRGSA-N 1 0 370.331 2.837 20 5 FFBDRO COc1ccccc1OC[C@@H](C)C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877121115 1014480061 /nfs/dbraw/zinc/48/00/61/1014480061.db2.gz YZDXWUQBRMVOJY-NFOMZHRRSA-N 1 0 360.414 2.808 20 5 FFBDRO Cc1ccc([C@@H](C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)N2CCCC2)o1 ZINC000877145793 1014488899 /nfs/dbraw/zinc/48/88/99/1014488899.db2.gz CQLOZNYITKHVGM-VMBOVVBDSA-N 1 0 359.430 2.823 20 5 FFBDRO CC(C)(C)OC(=O)[C@H](CCCC[NH3+])Nc1ccc2c(n1)[nH]cc2[N+](=O)[O-] ZINC001167947033 978507889 /nfs/dbraw/zinc/50/78/89/978507889.db2.gz DNVYZHVUDYGNBQ-LBPRGKRZSA-N 1 0 363.418 2.722 20 5 FFBDRO [NH3+]CC12CCC(CC1)N2C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000877190756 1014504897 /nfs/dbraw/zinc/50/48/97/1014504897.db2.gz SHEQHOBODDNNPP-UHFFFAOYSA-N 1 0 373.331 2.632 20 5 FFBDRO COC(=O)[C@@H]1CCN([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]1C ZINC000249107225 979414455 /nfs/dbraw/zinc/41/44/55/979414455.db2.gz QPNIVJNVDXWCPE-SLEUVZQESA-N 1 0 374.397 2.837 20 5 FFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@@H]3CCc4ccccc4-n4ccnc43)C2)c1 ZINC000877644094 1014657949 /nfs/dbraw/zinc/65/79/49/1014657949.db2.gz QKCFVCIVDUOSKG-VMBOVVBDSA-N 1 0 364.409 2.958 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CCc1ccc2ncccc2c1 ZINC000905520903 980461352 /nfs/dbraw/zinc/46/13/52/980461352.db2.gz NSOKSYOYPZCUCK-KRWDZBQOSA-N 1 0 367.405 2.715 20 5 FFBDRO CO[C@@H]1C[C@@H]2C[N@H+](CCc3ccc([N+](=O)[O-])cc3)Cc3cccnc3N2C1 ZINC000877686910 1014678377 /nfs/dbraw/zinc/67/83/77/1014678377.db2.gz ATCVMPLETVOBRQ-RTBURBONSA-N 1 0 368.437 2.642 20 5 FFBDRO Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000877730196 1014702431 /nfs/dbraw/zinc/70/24/31/1014702431.db2.gz POODGMBSFNWZJX-UHFFFAOYSA-N 1 0 374.441 2.958 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC2CCC3(CC2)CC[NH+](C)CC3)c1 ZINC000908500401 981449183 /nfs/dbraw/zinc/44/91/83/981449183.db2.gz AVICHDSLKFCHMU-UHFFFAOYSA-N 1 0 361.442 2.988 20 5 FFBDRO Cn1ccnc1[C@@H](NCC[C@@H]1CCCC[C@@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000897535545 981638220 /nfs/dbraw/zinc/63/82/20/981638220.db2.gz AGHICEPDSRIGQO-WBAXXEDZSA-N 1 0 358.442 2.949 20 5 FFBDRO CCc1ccc([C@@H](O)C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 ZINC000796452636 1014974459 /nfs/dbraw/zinc/97/44/59/1014974459.db2.gz WEVSMJTWJIWYMO-KRWDZBQOSA-N 1 0 358.394 2.752 20 5 FFBDRO O=C(c1ccnc(-c2ccccc2)c1[N+](=O)[O-])N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912909458 984144922 /nfs/dbraw/zinc/14/49/22/984144922.db2.gz RZOMWXNUKPMVRU-OAHLLOKOSA-N 1 0 352.394 2.577 20 5 FFBDRO Cc1nn(C[N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000764988769 984902535 /nfs/dbraw/zinc/90/25/35/984902535.db2.gz DIQSVDXAYDZTCW-OAHLLOKOSA-N 1 0 371.441 2.545 20 5 FFBDRO O=C(NCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1cccs1 ZINC000765056404 984948104 /nfs/dbraw/zinc/94/81/04/984948104.db2.gz YIJIHDKWBOPYOP-UHFFFAOYSA-N 1 0 374.466 2.645 20 5 FFBDRO Cc1nn(CN2CC[C@@H](C[N@H+](C)CC3CC3)C2)c2cc([N+](=O)[O-])ccc12 ZINC000761291350 985125082 /nfs/dbraw/zinc/12/50/82/985125082.db2.gz LXVKBRIJRHUHEG-INIZCTEOSA-N 1 0 357.458 2.874 20 5 FFBDRO Cc1cc(C)c(C[NH2+]CC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c(C)c1 ZINC000997770794 985734519 /nfs/dbraw/zinc/73/45/19/985734519.db2.gz YVFYZFCKKCZFND-IEBWSBKVSA-N 1 0 359.470 2.605 20 5 FFBDRO CC[N@H+](CC1CCN(c2ccccn2)CC1)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000173511869 985852674 /nfs/dbraw/zinc/85/26/74/985852674.db2.gz MLOMZEMLNHNMLF-UHFFFAOYSA-N 1 0 372.473 2.999 20 5 FFBDRO CO[C@]1(C)C[C@@H]([N@H+](C)Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1(C)C ZINC000173545903 985875358 /nfs/dbraw/zinc/87/53/58/985875358.db2.gz QZTQURRKUFMOHV-CRAIPNDOSA-N 1 0 359.430 2.946 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ncn(CN3CCC[C@H]3C[NH+]3CCCCC3)n2)cc1 ZINC000151959761 986951609 /nfs/dbraw/zinc/95/16/09/986951609.db2.gz QYXVDVIFVIKOFM-SFHVURJKSA-N 1 0 370.457 2.761 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@H](O)Cc3ccccc3)CC2)cc1 ZINC000132201287 987661639 /nfs/dbraw/zinc/66/16/39/987661639.db2.gz WNTOBLOTNMWXNH-HXUWFJFHSA-N 1 0 355.438 2.757 20 5 FFBDRO CCC1([NH+]2CCCCC2)CCN(C(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000879073533 1015351713 /nfs/dbraw/zinc/35/17/13/1015351713.db2.gz QLUXKACFBIZHKX-UHFFFAOYSA-N 1 0 361.446 2.674 20 5 FFBDRO C[NH2+][C@@H](CC(C)(C)C)c1nc(-c2ccc(-n3cncn3)c([N+](=O)[O-])c2)no1 ZINC000843237235 988318942 /nfs/dbraw/zinc/31/89/42/988318942.db2.gz NJNSHRVBPMBCGX-LBPRGKRZSA-N 1 0 371.401 2.922 20 5 FFBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)N1CCC(C)([NH+]2CCCCC2)CC1 ZINC000879213425 1015412037 /nfs/dbraw/zinc/41/20/37/1015412037.db2.gz GSCCBDIGWDKMSJ-UHFFFAOYSA-N 1 0 361.446 2.592 20 5 FFBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000125843447 989015467 /nfs/dbraw/zinc/01/54/67/989015467.db2.gz RJBXXRSHKJVDQL-HNNXBMFYSA-N 1 0 360.458 2.783 20 5 FFBDRO CCOc1ccc(C(=O)N2CC[C@@H](C)[C@H](n3ccnc3)C2)cc1[N+](=O)[O-] ZINC000126338244 989091806 /nfs/dbraw/zinc/09/18/06/989091806.db2.gz VAPFHNWTRRKOAS-CZUORRHYSA-N 1 0 358.398 2.913 20 5 FFBDRO CC[C@@H](CO)[NH2+][C@@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000915875553 989160921 /nfs/dbraw/zinc/16/09/21/989160921.db2.gz QSJPQSWFCZWMSF-MAUKXSAKSA-N 1 0 357.410 2.944 20 5 FFBDRO CCc1cccc(C[NH2+]Cc2ccc(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cc2)c1 ZINC001034816917 990276040 /nfs/dbraw/zinc/27/60/40/990276040.db2.gz WBFRFCVITBYQFE-WOJBJXKFSA-N 1 0 367.449 2.820 20 5 FFBDRO COc1cccc(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000194881065 990621082 /nfs/dbraw/zinc/62/10/82/990621082.db2.gz DQQMDZWZZPSJDO-YOEHRIQHSA-N 1 0 369.421 2.854 20 5 FFBDRO CCCCN(C(=O)Cn1cc([N+](=O)[O-])cn1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000194925815 990660727 /nfs/dbraw/zinc/66/07/27/990660727.db2.gz DERRWULJMDSAJK-UHFFFAOYSA-N 1 0 365.478 2.729 20 5 FFBDRO COc1ccc(-c2ccc(C[NH2+]CCO[C@H]3CCOC3)o2)c([N+](=O)[O-])c1 ZINC000922939597 990750055 /nfs/dbraw/zinc/75/00/55/990750055.db2.gz RCJDOBMHYYHJIR-HNNXBMFYSA-N 1 0 362.382 2.759 20 5 FFBDRO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000068964538 991554903 /nfs/dbraw/zinc/55/49/03/991554903.db2.gz WTGMSBILBVZYGG-GDBMZVCRSA-N 1 0 373.457 2.919 20 5 FFBDRO CC(C)(C)OCCC[NH+]1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000880412005 1015827717 /nfs/dbraw/zinc/82/77/17/1015827717.db2.gz LTFZBCSATKATJA-UHFFFAOYSA-N 1 0 365.474 2.796 20 5 FFBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]Cc3cn(-c4ccccc4)nn3)c2c1 ZINC000808452762 994122568 /nfs/dbraw/zinc/12/25/68/994122568.db2.gz PXLVCWQADRJQLX-UHFFFAOYSA-N 1 0 362.393 2.989 20 5 FFBDRO Cn1cc(C2C[C@H]3CC[C@@H](C2)[N@H+]3C[C@H](O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000880518463 1015861803 /nfs/dbraw/zinc/86/18/03/1015861803.db2.gz JQZACTMNCIPDBJ-JVPQYHMTSA-N 1 0 356.426 2.772 20 5 FFBDRO CC(C)(C)OC(=O)NC1CC([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000809654844 994568615 /nfs/dbraw/zinc/56/86/15/994568615.db2.gz RDLBKTQKMAPMTI-UHFFFAOYSA-N 1 0 361.402 2.616 20 5 FFBDRO COc1ccccc1-n1nccc1CN(CC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000809736168 994583005 /nfs/dbraw/zinc/58/30/05/994583005.db2.gz IDKCRPZOXGQWFD-UHFFFAOYSA-N 1 0 367.409 2.754 20 5 FFBDRO Cc1nn(C)c2nc(Cl)c(CN(CC[NH3+])c3ccc([N+](=O)[O-])cc3)cc12 ZINC000809734743 994585601 /nfs/dbraw/zinc/58/56/01/994585601.db2.gz KKUNLYNUGBGIOU-UHFFFAOYSA-N 1 0 374.832 2.804 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2ncn(C[N@@H+]3CCC[C@@H]([C@H]4CCOC4)C3)n2)c1 ZINC000747823574 995554227 /nfs/dbraw/zinc/55/42/27/995554227.db2.gz HEYTZARVOLHIPZ-CVEARBPZSA-N 1 0 357.414 2.559 20 5 FFBDRO 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O=[N+]([O-])c1ccccc1-c1nnc(C[NH2+][C@H]([C@H](CO)C2CC2)C2CC2)o1 ZINC001170488939 1004141329 /nfs/dbraw/zinc/14/13/29/1004141329.db2.gz CMBVXPRJKDSYOF-PBHICJAKSA-N 1 0 358.398 2.532 20 5 FFBDRO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000805801617 1004145139 /nfs/dbraw/zinc/14/51/39/1004145139.db2.gz MCGWPXQVQCWWRU-BBRMVZONSA-N 1 0 365.430 2.961 20 5 FFBDRO CCC[N@H+](C)CC(C)(C)NS(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC001192895332 1004313530 /nfs/dbraw/zinc/31/35/30/1004313530.db2.gz JWRRMBLTDGCTMA-UHFFFAOYSA-N 1 0 357.476 2.610 20 5 FFBDRO COC(=O)C[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C(C)(C)C ZINC001198113499 1004499249 /nfs/dbraw/zinc/49/92/49/1004499249.db2.gz YEJAMSWBWXCEDL-ZDUSSCGKSA-N 1 0 371.821 2.754 20 5 FFBDRO COC(=O)C[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C(C)(C)C ZINC001198113498 1004499646 /nfs/dbraw/zinc/49/96/46/1004499646.db2.gz YEJAMSWBWXCEDL-CYBMUJFWSA-N 1 0 371.821 2.754 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH+]2C[C@@H]3CN(c4ccccc4)C[C@H]3C2)cc1 ZINC000776279508 1005345811 /nfs/dbraw/zinc/34/58/11/1005345811.db2.gz XUVMBOVTWRNKKD-MBOZVWFJSA-N 1 0 353.422 2.696 20 5 FFBDRO COc1cc(C[NH2+]C[C@@H](O)c2cc(F)c(F)c(F)c2)c([N+](=O)[O-])cc1O ZINC000850419631 1005814527 /nfs/dbraw/zinc/81/45/27/1005814527.db2.gz XTZBGTCNMJVGCC-CQSZACIVSA-N 1 0 372.299 2.550 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000850434500 1005815402 /nfs/dbraw/zinc/81/54/02/1005815402.db2.gz UKQYXDDELKCIGT-YOEHRIQHSA-N 1 0 363.458 2.897 20 5 FFBDRO CC1(C)OC[C@@H](C[N@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)O1 ZINC000852205399 1005950740 /nfs/dbraw/zinc/95/07/40/1005950740.db2.gz ZNTRKYLCKQKFLA-BRWVUGGUSA-N 1 0 364.442 2.852 20 5 FFBDRO Cc1cccc(NC(=O)CN(C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)c1C ZINC000776578528 1005959273 /nfs/dbraw/zinc/95/92/73/1005959273.db2.gz GESWMZBTOQNMIJ-SFHVURJKSA-N 1 0 357.410 2.816 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+](Cc2ccccc2)[C@@H](CO)C2CC2)cc1 ZINC000776594141 1006009273 /nfs/dbraw/zinc/00/92/73/1006009273.db2.gz XADAPRKJODGROZ-PMACEKPBSA-N 1 0 356.422 2.901 20 5 FFBDRO O=C1CCCN1C[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000776605802 1006116941 /nfs/dbraw/zinc/11/69/41/1006116941.db2.gz ONZDHTGJMCQGKR-OALUTQOASA-N 1 0 369.421 2.582 20 5 FFBDRO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)C[C@@H]21 ZINC000814173426 1006170901 /nfs/dbraw/zinc/17/09/01/1006170901.db2.gz PNTKYUDWPFRQDE-HWWDLCQESA-N 1 0 372.377 2.714 20 5 FFBDRO CN(C)c1cc[nH+]c(CNc2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])c1 ZINC001187624899 1006178474 /nfs/dbraw/zinc/17/84/74/1006178474.db2.gz MBPMYRYYAGPPAD-UHFFFAOYSA-N 1 0 353.382 2.520 20 5 FFBDRO COc1nc(N[C@@H](Cc2ccccc2)C[NH+]2CCCC2)nc(C)c1[N+](=O)[O-] ZINC001170753802 1006354724 /nfs/dbraw/zinc/35/47/24/1006354724.db2.gz OPNVZYSOSMCCIP-INIZCTEOSA-N 1 0 371.441 2.821 20 5 FFBDRO COc1nc(C)nc(N[C@@H](Cc2ccccc2)C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC001170753277 1006355990 /nfs/dbraw/zinc/35/59/90/1006355990.db2.gz DHQWHTOVUKFHOL-INIZCTEOSA-N 1 0 371.441 2.821 20 5 FFBDRO Cc1nn(C[N@H+]2CC[C@@H](N(C)c3ccccc3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000853584160 1006460157 /nfs/dbraw/zinc/46/01/57/1006460157.db2.gz GLQZQXUANNNMFO-MRXNPFEDSA-N 1 0 366.425 2.816 20 5 FFBDRO CCC1([NH+]2CCCCC2)CCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)CC1 ZINC000882816850 1006516067 /nfs/dbraw/zinc/51/60/67/1006516067.db2.gz DGRBZFVICKVKBK-UHFFFAOYSA-N 1 0 362.474 2.904 20 5 FFBDRO Cc1cc(N2C[C@@H](O)CC3(CCOCC3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000883015665 1006600953 /nfs/dbraw/zinc/60/09/53/1006600953.db2.gz YKAINSZQOVBNTC-HNNXBMFYSA-N 1 0 357.410 2.819 20 5 FFBDRO CCN(Cc1ccccc1)C(=O)C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815569266 1006687894 /nfs/dbraw/zinc/68/78/94/1006687894.db2.gz MQCJVEMOVVHIMW-AWEZNQCLSA-N 1 0 356.426 2.876 20 5 FFBDRO COc1ccccc1N1CC[C@H]([NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1=O ZINC000815596583 1006704943 /nfs/dbraw/zinc/70/49/43/1006704943.db2.gz YCEBTHOZHJWYGK-DOMZBBRYSA-N 1 0 370.409 2.642 20 5 FFBDRO C[C@@H]([NH2+]CCCN1C(=O)c2ccccc2C1=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815625430 1006716299 /nfs/dbraw/zinc/71/62/99/1006716299.db2.gz DMIYLBNBRGCDSV-GFCCVEGCSA-N 1 0 368.393 2.514 20 5 FFBDRO C/C(=C\C(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000854333302 1006782985 /nfs/dbraw/zinc/78/29/85/1006782985.db2.gz PNAPOKBRCHZSTH-ZPICJPFVSA-N 1 0 373.453 2.711 20 5 FFBDRO COc1c(O)ccc(C[NH2+][C@H](C(C)C)C2(CO)CCCC2)c1[N+](=O)[O-] ZINC001206167199 1032170081 /nfs/dbraw/zinc/17/00/81/1032170081.db2.gz CHEKAKRNRFCLNF-QGZVFWFLSA-N 1 0 352.431 2.976 20 5 FFBDRO C[C@@H]1[C@@H](OC(=O)CCn2cc([N+](=O)[O-])cn2)CCC[N@@H+]1Cc1ccccc1 ZINC000816468352 1007051595 /nfs/dbraw/zinc/05/15/95/1007051595.db2.gz FWSZBMFVKUVYBS-QAPCUYQASA-N 1 0 372.425 2.778 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2ncn(C[N@@H+]3CCC[C@H]3C3CCOCC3)n2)c1 ZINC000776769392 1007058880 /nfs/dbraw/zinc/05/88/80/1007058880.db2.gz FJDCATSZGUTWRK-KRWDZBQOSA-N 1 0 357.414 2.702 20 5 FFBDRO C[C@@H](NC(=O)N1CCN(c2cc[nH+]cc2)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000884086300 1007226407 /nfs/dbraw/zinc/22/64/07/1007226407.db2.gz UJVUMZHGTVRGDO-HUUCEWRRSA-N 1 0 369.425 2.971 20 5 FFBDRO [NH3+]CCC[C@@H](NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000818006156 1007849367 /nfs/dbraw/zinc/84/93/67/1007849367.db2.gz YJPIHVDCSFKASJ-QGZVFWFLSA-N 1 0 367.409 2.541 20 5 FFBDRO [NH3+]CCOc1cccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1 ZINC000818542114 1007938022 /nfs/dbraw/zinc/93/80/22/1007938022.db2.gz AKOHJHQECKGATA-UHFFFAOYSA-N 1 0 370.409 2.785 20 5 FFBDRO O=C1CCCN1Cc1ccccc1C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000818947280 1007989490 /nfs/dbraw/zinc/98/94/90/1007989490.db2.gz BAGFOSOULCLZQW-IBGZPJMESA-N 1 0 369.421 2.540 20 5 FFBDRO C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818951453 1007990824 /nfs/dbraw/zinc/99/08/24/1007990824.db2.gz GBRHRLWAIXYCNB-DYVFJYSZSA-N 1 0 358.394 2.968 20 5 FFBDRO COc1cccc(N2CCC[C@H]([NH2+]C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)c1 ZINC000819082420 1008029422 /nfs/dbraw/zinc/02/94/22/1008029422.db2.gz TUQMSWSMSAWAGQ-JXFKEZNVSA-N 1 0 371.437 2.895 20 5 FFBDRO CC(C)[C@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)NC(=O)OC(C)(C)C ZINC000819077713 1008037948 /nfs/dbraw/zinc/03/79/48/1008037948.db2.gz NTKFKTCPTRFSST-HOTGVXAUSA-N 1 0 367.446 2.767 20 5 FFBDRO C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CN1Cc1ccccc1 ZINC000819154890 1008045191 /nfs/dbraw/zinc/04/51/91/1008045191.db2.gz RTEJYDAGCKFCDC-XFQXTVEOSA-N 1 0 355.438 2.881 20 5 FFBDRO C[C@@H](c1ccncc1)N1CCC([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000819183519 1008060502 /nfs/dbraw/zinc/06/05/02/1008060502.db2.gz PQODVHIDTWTWCD-MGPUTAFESA-N 1 0 370.453 2.838 20 5 FFBDRO Cc1ccc(O[C@@H]2CC[N@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)nc1 ZINC000858041146 1008286287 /nfs/dbraw/zinc/28/62/87/1008286287.db2.gz IAURLDABLNMSTM-OAHLLOKOSA-N 1 0 370.409 2.780 20 5 FFBDRO CCCNC(=O)OC[C@@H]1CCCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000805776971 1008515819 /nfs/dbraw/zinc/51/58/19/1008515819.db2.gz XGUHLJNGIOGXGW-DLBZAZTESA-N 1 0 365.430 2.619 20 5 FFBDRO COc1ccc(OCC[N@@H+]2CCC[C@](O)(c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000859586181 1008579285 /nfs/dbraw/zinc/57/92/85/1008579285.db2.gz IOGGSZBDWWFBDD-HXUWFJFHSA-N 1 0 372.421 2.966 20 5 FFBDRO O=C(CC[N@H+]1CCC[C@](O)(c2ccccc2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000859587749 1008580630 /nfs/dbraw/zinc/58/06/30/1008580630.db2.gz OXDRBFZHVCBQFE-HXUWFJFHSA-N 1 0 369.421 2.907 20 5 FFBDRO CCC1([NH+]2CCC2)CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000886707345 1008834221 /nfs/dbraw/zinc/83/42/21/1008834221.db2.gz FJAMRGRNSRJKMM-UHFFFAOYSA-N 1 0 361.442 2.912 20 5 FFBDRO O=C(NCCCCCC[NH2+]Cc1cccc(Cl)c1F)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001178458330 1008994360 /nfs/dbraw/zinc/99/43/60/1008994360.db2.gz AXHBPIMALMTQRA-UKRRQHHQSA-N 1 0 371.840 2.911 20 5 FFBDRO O=C(NCCCCCC[NH2+]Cc1cc(Cl)ccc1F)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001178458794 1008995072 /nfs/dbraw/zinc/99/50/72/1008995072.db2.gz YLQGUHJFJZWJQQ-GDBMZVCRSA-N 1 0 371.840 2.911 20 5 FFBDRO CC(=O)N1CCC[C@@H](C[NH2+]Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC001178620204 1009060222 /nfs/dbraw/zinc/06/02/22/1009060222.db2.gz JHPNZRXZGLWYQO-LBPRGKRZSA-N 1 0 370.247 2.705 20 5 FFBDRO C[N@H+](CCCN1C(=O)c2ccccc2C1=O)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000823633509 1009147215 /nfs/dbraw/zinc/14/72/15/1009147215.db2.gz PVGCPDNKFXHAQY-UHFFFAOYSA-N 1 0 371.368 2.852 20 5 FFBDRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000860915432 1009197337 /nfs/dbraw/zinc/19/73/37/1009197337.db2.gz FLQYMCIGRIGOKF-HNNXBMFYSA-N 1 0 370.453 2.504 20 5 FFBDRO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)CC[N@@H+]1CC(C)(C)O ZINC000861183407 1009294981 /nfs/dbraw/zinc/29/49/81/1009294981.db2.gz GZBHCZIRUONALY-AWEZNQCLSA-N 1 0 371.437 2.665 20 5 FFBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2C[C@@H](O)[C@@H](O)C2)ccc1Oc1ccc(F)cc1 ZINC001179603075 1009376319 /nfs/dbraw/zinc/37/63/19/1009376319.db2.gz SULRWCPBYBRGRF-AYGBPOKTSA-N 1 0 362.357 2.500 20 5 FFBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2C[C@@H](O)[C@@H](O)C2)ccc1Oc1ccc(F)cc1 ZINC001179603076 1009376688 /nfs/dbraw/zinc/37/66/88/1009376688.db2.gz SULRWCPBYBRGRF-FFGGFLGDSA-N 1 0 362.357 2.500 20 5 FFBDRO COc1ccc(C[NH2+]C[C@H]2CCN2C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC001179647332 1009382154 /nfs/dbraw/zinc/38/21/54/1009382154.db2.gz YOUMMRSBOGDROZ-GOSISDBHSA-N 1 0 371.437 2.976 20 5 FFBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CCC([NH2+]C2CCC2)CC1 ZINC000889835625 1010146005 /nfs/dbraw/zinc/14/60/05/1010146005.db2.gz TYFFYTWVVOLCAU-UHFFFAOYSA-N 1 0 356.426 2.683 20 5 FFBDRO COC(=O)c1cc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])[nH]c1C(C)C ZINC001181554685 1010147028 /nfs/dbraw/zinc/14/70/28/1010147028.db2.gz FAKOVCMGYCUKLL-UHFFFAOYSA-N 1 0 360.414 2.798 20 5 FFBDRO CC[C@H]1CCCC[N@@H+]1CCN1C(=O)N[C@](C)(c2cccc([N+](=O)[O-])c2)C1=O ZINC000863504690 1010231911 /nfs/dbraw/zinc/23/19/11/1010231911.db2.gz XKSFXMWPEZTFFY-HNAYVOBHSA-N 1 0 374.441 2.626 20 5 FFBDRO COc1ccc(CN2CC[C@@H]2C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000863575684 1010260838 /nfs/dbraw/zinc/26/08/38/1010260838.db2.gz QNZIXYNWMWUCHV-UYAOXDASSA-N 1 0 371.437 2.501 20 5 FFBDRO COc1ccc(CN(C)C[C@H](C)[NH3+])cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000863651992 1010276582 /nfs/dbraw/zinc/27/65/82/1010276582.db2.gz OPYBYMMSBNPZTH-AWEZNQCLSA-N 1 0 359.426 2.961 20 5 FFBDRO CC(C)[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@H](O)c1ccccc1 ZINC000794609413 1010440794 /nfs/dbraw/zinc/44/07/94/1010440794.db2.gz ZKARYWCXEJPZLV-YZGWKJHDSA-N 1 0 374.437 2.682 20 5 FFBDRO COC(=O)Cc1ccc(N2CCC(C)([NH+]3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000866021035 1010908978 /nfs/dbraw/zinc/90/89/78/1010908978.db2.gz SGRFJLZNLJDMDB-UHFFFAOYSA-N 1 0 361.442 2.765 20 5 FFBDRO CN(CC[NH+]1CC2(C1)CCOCC2)c1ccc([N+](=O)[O-])cc1OC(F)F ZINC000866258219 1010964005 /nfs/dbraw/zinc/96/40/05/1010964005.db2.gz RXRIETTTYSWKCL-UHFFFAOYSA-N 1 0 371.384 2.745 20 5 FFBDRO COc1ccc(CC(=O)N2c3ccccc3[C@H]([NH3+])C2(C)C)cc1[N+](=O)[O-] ZINC000867990976 1011140098 /nfs/dbraw/zinc/14/00/98/1011140098.db2.gz QSTSTJKHOMCORD-SFHVURJKSA-N 1 0 355.394 2.971 20 5 FFBDRO COC(=O)C1(Nc2ncccc2[N+](=O)[O-])CC[NH+](Cc2ccccc2)CC1 ZINC001171507005 1011361841 /nfs/dbraw/zinc/36/18/41/1011361841.db2.gz NHMWAPRDLMORIH-UHFFFAOYSA-N 1 0 370.409 2.610 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]C[C@H](O)COc1ccccc1)CC2 ZINC001172898056 1012072787 /nfs/dbraw/zinc/07/27/87/1012072787.db2.gz FXYVEKJRJINKMR-HKUYNNGSSA-N 1 0 356.422 2.872 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CCN(c3ncccn3)C1)CC2 ZINC001172897222 1012072984 /nfs/dbraw/zinc/07/29/84/1012072984.db2.gz YAUSQHHYMKSKJO-IAGOWNOFSA-N 1 0 353.426 2.501 20 5 FFBDRO CN(C)C(=O)N1CCC[C@H]([NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172903565 1012077323 /nfs/dbraw/zinc/07/73/23/1012077323.db2.gz RFKIFYWANPBNJM-IRXDYDNUSA-N 1 0 360.458 2.578 20 5 FFBDRO CCOC(=O)[C@@H]1C[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCS1 ZINC001172911621 1012122786 /nfs/dbraw/zinc/12/27/86/1012122786.db2.gz DBFRKMKXRPOFFE-RDJZCZTQSA-N 1 0 364.467 2.823 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH+]1CCN(C[C@@H]3CCCO3)CC1)CC2 ZINC001172912170 1012125878 /nfs/dbraw/zinc/12/58/78/1012125878.db2.gz YMFPRZKCWHJYRH-ICSRJNTNSA-N 1 0 359.470 2.639 20 5 FFBDRO CC(C)[C@H](CCO)[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173009095 1012176057 /nfs/dbraw/zinc/17/60/57/1012176057.db2.gz MBAKRKGZFOOQBC-INIZCTEOSA-N 1 0 357.401 2.838 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(N2CCC([N@@H+]3CCC[C@H](CO)CC3)CC2)c(F)c1 ZINC001173010006 1012179703 /nfs/dbraw/zinc/17/97/03/1012179703.db2.gz KPOCRVHABVHDQQ-ZDUSSCGKSA-N 1 0 369.412 2.936 20 5 FFBDRO CCO[C@@H]1CC[N@@H+](C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)C1 ZINC001173019992 1012192207 /nfs/dbraw/zinc/19/22/07/1012192207.db2.gz OJMBBSBKXSWMQU-CQSZACIVSA-N 1 0 355.385 2.953 20 5 FFBDRO C[NH+]1CCC2(CC1)CN(C(=O)c1ccc([N+](=O)[O-])cn1)Cc1ccccc12 ZINC000870183481 1012242505 /nfs/dbraw/zinc/24/25/05/1012242505.db2.gz CSRZAZOLRIUPAH-UHFFFAOYSA-N 1 0 366.421 2.609 20 5 FFBDRO CCC(=O)N1CCC([NH2+][C@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])CC1 ZINC001173176299 1012318973 /nfs/dbraw/zinc/31/89/73/1012318973.db2.gz FVUZUUQTTGWGFC-GFCCVEGCSA-N 1 0 367.421 2.664 20 5 FFBDRO CCOC(=O)CC(C)(C)[NH2+][C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173175937 1012320192 /nfs/dbraw/zinc/32/01/92/1012320192.db2.gz VTFXYPOJTLXXRK-LLVKDONJSA-N 1 0 356.394 2.995 20 5 FFBDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C1 ZINC000646997073 1012325762 /nfs/dbraw/zinc/32/57/62/1012325762.db2.gz ODJZYSZXFUQSRC-OLZOCXBDSA-N 1 0 371.387 2.959 20 5 FFBDRO CC[C@@H]1CN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC[C@H]1[NH3+] ZINC000647004076 1012330359 /nfs/dbraw/zinc/33/03/59/1012330359.db2.gz GDMRSFVWNDFOHR-CRAIPNDOSA-N 1 0 363.461 2.741 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@H]2C(=O)NCc3ccccc32)c1F ZINC001173193178 1012334712 /nfs/dbraw/zinc/33/47/12/1012334712.db2.gz SWRZVPKVIRULDP-ADLMAVQZSA-N 1 0 373.384 2.634 20 5 FFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCCN(C(=O)C(F)(F)F)C1 ZINC001173221666 1012352913 /nfs/dbraw/zinc/35/29/13/1012352913.db2.gz OJYKDFLGKIAHGQ-YPMHNXCESA-N 1 0 359.348 2.669 20 5 FFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)n1ccncc1=N[C@H]1CC[C@H]([NH3+])CC1 ZINC001173222605 1012353980 /nfs/dbraw/zinc/35/39/80/1012353980.db2.gz XLAWNJCAPOSLDK-XIRDDKMYSA-N 1 0 355.442 2.766 20 5 FFBDRO CC(C)N(c1ncnc2c1CC[NH2+]CC2)[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173222417 1012355412 /nfs/dbraw/zinc/35/54/12/1012355412.db2.gz RPPPAQDXVSRPRD-OAHLLOKOSA-N 1 0 369.469 2.919 20 5 FFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCN(c2ccc(Cl)nn2)CC1 ZINC001173230211 1012363330 /nfs/dbraw/zinc/36/33/30/1012363330.db2.gz CTHFJZHBBHPUAN-CYBMUJFWSA-N 1 0 361.833 2.791 20 5 FFBDRO COc1cc(N2CC[NH+]([C@H](C)Cc3ccc([N+](=O)[O-])cc3)CC2)ccn1 ZINC001173232431 1012364670 /nfs/dbraw/zinc/36/46/70/1012364670.db2.gz BIIXUDSZQIEIHI-OAHLLOKOSA-N 1 0 356.426 2.752 20 5 FFBDRO c1c(-c2nc(-c3ccc4ccc5cccnc5c4n3)no2)nn2c1C[NH2+]CC2 ZINC001217215661 1032657660 /nfs/dbraw/zinc/65/76/60/1032657660.db2.gz GNRXEDUQFMBYBW-UHFFFAOYSA-N 1 0 369.388 2.800 20 5 FFBDRO CCC[C@@H](C)[NH2+]C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001173693358 1012902202 /nfs/dbraw/zinc/90/22/02/1012902202.db2.gz MDNBOJXMEADNMH-CYBMUJFWSA-N 1 0 355.460 2.526 20 5 FFBDRO CCC(CC)[N@H+](C)C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001173706284 1012907625 /nfs/dbraw/zinc/90/76/25/1012907625.db2.gz ZXXYFBDUKWFODQ-UHFFFAOYSA-N 1 0 369.487 2.868 20 5 FFBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@H](CC[NH+](C)C)c1cccnc1 ZINC000925898412 1017887305 /nfs/dbraw/zinc/88/73/05/1017887305.db2.gz KOFXTRXMLOCYHI-QGZVFWFLSA-N 1 0 371.441 2.824 20 5 FFBDRO C[C@@H](NC(=O)[C@H]1CCCN1Cc1ccccn1)c1ccc([N+](=O)[O-])cc1 ZINC000928249251 1018908700 /nfs/dbraw/zinc/90/87/00/1018908700.db2.gz PSDXFMCOEZWWJA-RDTXWAMCSA-N 1 0 354.410 2.832 20 5 FFBDRO C[C@H]1[C@@H](NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000928436246 1018979454 /nfs/dbraw/zinc/97/94/54/1018979454.db2.gz BDTMIPRRJYZQNH-KSSFIOAISA-N 1 0 369.421 2.996 20 5 FFBDRO C[NH+](C)CC[C@@H](NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC000928841347 1019157477 /nfs/dbraw/zinc/15/74/77/1019157477.db2.gz UVGNJSKYUDBKPM-IEODJVTJSA-N 1 0 354.410 2.812 20 5 FFBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000801860661 1019458123 /nfs/dbraw/zinc/45/81/23/1019458123.db2.gz NCSFWGYKWWLIRB-FRRDWIJNSA-N 1 0 364.421 2.794 20 5 FFBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000801903452 1019499375 /nfs/dbraw/zinc/49/93/75/1019499375.db2.gz DMPUIJSMTNWVKM-AWEZNQCLSA-N 1 0 372.400 2.711 20 5 FFBDRO C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)C[N@@H+]1Cc1ccccc1 ZINC000801921035 1019513400 /nfs/dbraw/zinc/51/34/00/1019513400.db2.gz WONIHUNTUVTPNN-JSGCOSHPSA-N 1 0 372.400 2.709 20 5 FFBDRO O=[N+]([O-])c1cccc2c1CC[N@@H+](C[C@H](O)CC[C@H](O)c1ccccc1)C2 ZINC000930100427 1019869158 /nfs/dbraw/zinc/86/91/58/1019869158.db2.gz VQBYGNWNYISNTJ-XLIONFOSSA-N 1 0 356.422 2.828 20 5 FFBDRO CC(C)C[C@H]1C[N@H+](C)CCN1CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000902537725 1020266220 /nfs/dbraw/zinc/26/62/20/1020266220.db2.gz DJEXXCWCXNVUQC-OALUTQOASA-N 1 0 374.485 2.530 20 5 FFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@@H]2C[N@@H+](Cc3ccc(C4CCC4)cc3)C[C@@H]2C1 ZINC001048814468 1020522259 /nfs/dbraw/zinc/52/22/59/1020522259.db2.gz NBEARRNKQYGDQI-IYWMVGAKSA-N 1 0 369.465 2.510 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(O[C@H]2CCC[NH2+]C[C@@H]2F)c(Br)c1 ZINC001217951752 1032916145 /nfs/dbraw/zinc/91/61/45/1032916145.db2.gz UVZQXJXJHLHLCM-QWRGUYRKSA-N 1 0 351.147 2.965 20 5 FFBDRO COc1cc([C@H](C)[NH2+]C[C@@H]2CCC3(CCOCC3)[C@@H]2O)cc([N+](=O)[O-])c1 ZINC000903164588 1020713840 /nfs/dbraw/zinc/71/38/40/1020713840.db2.gz IVBOTBUWUFUSCR-SUNYJGFJSA-N 1 0 364.442 2.822 20 5 FFBDRO Cn1ccc([C@H]2CCC[N@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)n1 ZINC000932136780 1020717145 /nfs/dbraw/zinc/71/71/45/1020717145.db2.gz QGCKUDVNTKKESR-AWEZNQCLSA-N 1 0 357.414 2.537 20 5 FFBDRO COc1cc([C@H](C)[NH2+][C@@H]2CCC[C@H]3CN(C(C)=O)C[C@H]32)cc([N+](=O)[O-])c1 ZINC000903172244 1020722516 /nfs/dbraw/zinc/72/25/16/1020722516.db2.gz OUFHDQLQEPLILC-VBBPLHNESA-N 1 0 361.442 2.901 20 5 FFBDRO COc1cc([C@H](C)[NH2+][C@@H]2CCO[C@H](c3ccnn3C)C2)cc([N+](=O)[O-])c1 ZINC000903186121 1020728781 /nfs/dbraw/zinc/72/87/81/1020728781.db2.gz ILSAOVGHYYSQMF-WRSAYESZSA-N 1 0 360.414 2.908 20 5 FFBDRO COc1cccc([C@@H](C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)N(C)C)c1 ZINC000749639216 1021016911 /nfs/dbraw/zinc/01/69/11/1021016911.db2.gz NYUJOVXKZZTWGC-RTBURBONSA-N 1 0 359.426 2.529 20 5 FFBDRO CCN1C[C@H](C[N@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)Oc2ccccc21 ZINC000749663476 1021017917 /nfs/dbraw/zinc/01/79/17/1021017917.db2.gz FUEGTQJNDFHKSF-PKOBYXMFSA-N 1 0 371.437 2.848 20 5 FFBDRO CCOC(=O)C1([C@H](C)[NH2+]Cc2c(F)cc([N+](=O)[O-])cc2F)CCOCC1 ZINC000933883659 1021108577 /nfs/dbraw/zinc/10/85/77/1021108577.db2.gz JQQCRQXNXSRSRW-NSHDSACASA-N 1 0 372.368 2.711 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(Br)c(O[C@H]2CC[NH2+]CC[C@@H]2F)c1 ZINC001218022281 1032959005 /nfs/dbraw/zinc/95/90/05/1032959005.db2.gz GEDQKAHDHYYNAN-WPRPVWTQSA-N 1 0 351.147 2.965 20 5 FFBDRO COc1ccc([C@@H]2CCC[N@@H+]2C[C@H](O)COc2ccccc2[N+](=O)[O-])nc1 ZINC000934343793 1021204088 /nfs/dbraw/zinc/20/40/88/1021204088.db2.gz PLYVPNHFKIJCRI-YOEHRIQHSA-N 1 0 373.409 2.575 20 5 FFBDRO C[NH+](C)CCN(Cc1ccco1)C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000934490978 1021259594 /nfs/dbraw/zinc/25/95/94/1021259594.db2.gz BZBYNJCDAGWOJW-ZWKOTPCHSA-N 1 0 357.410 2.882 20 5 FFBDRO O=C(C[NH2+][C@@H](c1ccncc1)C1CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000934691922 1021352435 /nfs/dbraw/zinc/35/24/35/1021352435.db2.gz NMYJEQNBUYBFCJ-LJQANCHMSA-N 1 0 352.394 2.620 20 5 FFBDRO C[C@@H]1C[C@H](Oc2ccc([N+](=O)[O-])c(I)c2)CC[NH2+]1 ZINC001218058439 1032973000 /nfs/dbraw/zinc/97/30/00/1032973000.db2.gz WZIBLCYVPSHQFB-PSASIEDQSA-N 1 0 362.167 2.719 20 5 FFBDRO CC(C)(C[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)S(C)(=O)=O ZINC001116832494 1021443720 /nfs/dbraw/zinc/44/37/20/1021443720.db2.gz VPKBDPOMFVITDJ-UHFFFAOYSA-N 1 0 354.350 2.526 20 5 FFBDRO COC(=O)c1cc(Cl)cc([N+](=O)[O-])c1O[C@H]1CCC[C@@]12CC[NH2+]C2 ZINC001218094131 1032990953 /nfs/dbraw/zinc/99/09/53/1032990953.db2.gz LSVPZGJADASEER-BBRMVZONSA-N 1 0 354.790 2.946 20 5 FFBDRO O=[N+]([O-])c1ccc(O[C@@H]2C[C@H]3CC[NH2+][C@@H]3C2)cc1I ZINC001218253460 1033069815 /nfs/dbraw/zinc/06/98/15/1033069815.db2.gz XLAITNNGDQLHGK-HLUHBDAQSA-N 1 0 374.178 2.719 20 5 FFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2CCC[C@@H](C1)[N@H+]2CC1CCC2(CC2)CC1 ZINC001039583069 1022767262 /nfs/dbraw/zinc/76/72/62/1022767262.db2.gz BJZFLQPPQAEPBB-XMTFNYHQSA-N 1 0 361.486 2.687 20 5 FFBDRO COC(=O)c1cc(Br)c(O[C@H]2CC[C@H](C)[NH2+]C2)c([N+](=O)[O-])c1 ZINC001218395132 1033136508 /nfs/dbraw/zinc/13/65/08/1033136508.db2.gz UEYBDIFKINXJQR-WPRPVWTQSA-N 1 0 373.203 2.663 20 5 FFBDRO C[C@H]1C[NH2+]CC[C@@H]1Oc1cc(I)ccc1[N+](=O)[O-] ZINC001218417333 1033146886 /nfs/dbraw/zinc/14/68/86/1033146886.db2.gz VPOGPAUKODUNBN-KWQFWETISA-N 1 0 362.167 2.576 20 5 FFBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000755512542 1023606160 /nfs/dbraw/zinc/60/61/60/1023606160.db2.gz MQUFMUPDRBOMSI-IDCODDLRSA-N 1 0 373.453 2.711 20 5 FFBDRO C[NH+]1CCC([C@@H]2CCN(c3ccc([N+](=O)[O-])cc3C(=O)NC3CC3)C2)CC1 ZINC000755919347 1023650718 /nfs/dbraw/zinc/65/07/18/1023650718.db2.gz HANIOVDONQHGFM-OAHLLOKOSA-N 1 0 372.469 2.655 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)c1F ZINC000829456332 1033159949 /nfs/dbraw/zinc/15/99/49/1033159949.db2.gz UQERKIQPQJFXEG-ZDUSSCGKSA-N 1 0 367.396 2.985 20 5 FFBDRO O=[N+]([O-])c1ccc(O[C@@H]2CC[C@@H]3C[NH2+]C[C@H]23)cc1I ZINC001218463359 1033168317 /nfs/dbraw/zinc/16/83/17/1033168317.db2.gz BMJGBJHYSXEHGA-DFAYQTQMSA-N 1 0 374.178 2.576 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1CCCCC12CC[NH2+]CC2 ZINC001121933603 1024183006 /nfs/dbraw/zinc/18/30/06/1024183006.db2.gz PPBQNCSRKAOFIG-INIZCTEOSA-N 1 0 361.442 2.780 20 5 FFBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccccc1[N+](=O)[O-] ZINC000192642007 1024239019 /nfs/dbraw/zinc/23/90/19/1024239019.db2.gz AMBJLVYYSMBETC-UHFFFAOYSA-N 1 0 358.354 2.964 20 5 FFBDRO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC001122083273 1024325679 /nfs/dbraw/zinc/32/56/79/1024325679.db2.gz POTWTZQRSJEFPQ-ZDUSSCGKSA-N 1 0 351.834 2.972 20 5 FFBDRO C[NH+](C)CCN(Cc1ccc(F)cc1)c1nc2ccccn2c1[N+](=O)[O-] ZINC000759698098 1024725928 /nfs/dbraw/zinc/72/59/28/1024725928.db2.gz VVNBQPKFGZJYBV-UHFFFAOYSA-N 1 0 357.389 2.950 20 5 FFBDRO Cc1cc(C[NH+](C)C)cc(NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)c1 ZINC000759745408 1024758736 /nfs/dbraw/zinc/75/87/36/1024758736.db2.gz LPUXMPOIWQZIBV-UHFFFAOYSA-N 1 0 367.409 2.953 20 5 FFBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 ZINC000837184889 1025639405 /nfs/dbraw/zinc/63/94/05/1025639405.db2.gz ORZGEPVTLWCQCP-MRXNPFEDSA-N 1 0 360.458 2.750 20 5 FFBDRO O=C1C[C@]2(CCN(C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)Oc2ccccc21 ZINC000839644083 1026771188 /nfs/dbraw/zinc/77/11/88/1026771188.db2.gz NTSPQZITMYPWFF-QUCCMNQESA-N 1 0 368.389 2.738 20 5 FFBDRO CC[N@@H+]1CCCN(C(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)[C@H](C)C1 ZINC001141860917 1027058890 /nfs/dbraw/zinc/05/88/90/1027058890.db2.gz LMBUIVQOXJQCES-CYBMUJFWSA-N 1 0 356.426 2.887 20 5 FFBDRO O=[N+]([O-])c1ccnc(N[C@H]2CC[C@H]([NH+]3CCN(CC4CC4)CC3)CC2)c1 ZINC001159626110 1027448736 /nfs/dbraw/zinc/44/87/36/1027448736.db2.gz KCFQOYLEXFTFIE-QAQDUYKDSA-N 1 0 359.474 2.741 20 5 FFBDRO Cc1c(Nc2c(O)cccc2N2CC[NH2+]CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001160012686 1027562624 /nfs/dbraw/zinc/56/26/24/1027562624.db2.gz RMLGHSKZQQYXQZ-UHFFFAOYSA-N 1 0 373.369 2.670 20 5 FFBDRO O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N[C@@H]2CC[NH2+]C[C@H]2C(F)(F)F)c1 ZINC001160736831 1027845478 /nfs/dbraw/zinc/84/54/78/1027845478.db2.gz NIFXAWPRSMADNS-RKDXNWHRSA-N 1 0 374.697 2.823 20 5 FFBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000795707497 1027894939 /nfs/dbraw/zinc/89/49/39/1027894939.db2.gz NXEZIYZVJRPBET-KXBFYZLASA-N 1 0 355.442 2.974 20 5 FFBDRO Cc1nn(CN2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c(C)c1[N+](=O)[O-] ZINC000795711877 1027923374 /nfs/dbraw/zinc/92/33/74/1027923374.db2.gz TUFIEQTYIGXKRQ-HXUWFJFHSA-N 1 0 369.469 2.964 20 5 FFBDRO O=[N+]([O-])c1cc(NC2CC[NH+](CC3CCOCC3)CC2)nc2[nH]ccc21 ZINC001161215087 1028072188 /nfs/dbraw/zinc/07/21/88/1028072188.db2.gz KWNSCLRLPIJVBN-UHFFFAOYSA-N 1 0 359.430 2.774 20 5 FFBDRO O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1NCC1CC[NH+](CC2CCC2)CC1 ZINC001161232931 1028085103 /nfs/dbraw/zinc/08/51/03/1028085103.db2.gz FVXQTULFLYCHDE-UHFFFAOYSA-N 1 0 354.838 2.806 20 5 FFBDRO C[C@H](C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000249738780 1028285909 /nfs/dbraw/zinc/28/59/09/1028285909.db2.gz HQXZHSRFHXMAAO-OWCLPIDISA-N 1 0 360.458 2.505 20 5 FFBDRO C[NH+](C)Cc1ccc(NC(=O)c2cc([N+](=O)[O-])n[nH]2)cc1C(F)(F)F ZINC001154748409 1028435644 /nfs/dbraw/zinc/43/56/44/1028435644.db2.gz WKAWHDXKFBAKFK-UHFFFAOYSA-N 1 0 357.292 2.651 20 5 FFBDRO C[C@@H](Nc1ccc([N+](=O)[O-])c(OCC[NH+](C)C)c1)c1nnc2ccccn21 ZINC001162186430 1028462841 /nfs/dbraw/zinc/46/28/41/1028462841.db2.gz OSPKJBGQUYOHCR-CYBMUJFWSA-N 1 0 370.413 2.751 20 5 FFBDRO CCc1cc(N[C@]2(C)CCC[N@H+](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001162338530 1028507333 /nfs/dbraw/zinc/50/73/33/1028507333.db2.gz BHYGDHIXMSWTJD-LJQANCHMSA-N 1 0 355.442 2.932 20 5 FFBDRO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1NC[C@@]1(F)CCCC[NH2+]C1 ZINC001155114386 1028585347 /nfs/dbraw/zinc/58/53/47/1028585347.db2.gz BKZGTIWSKXHAFI-OAHLLOKOSA-N 1 0 374.800 2.714 20 5 FFBDRO CCOC1(OCC)CC[NH2+]C[C@@H]1Nc1nc2ccccc2cc1[N+](=O)[O-] ZINC001155232896 1028638905 /nfs/dbraw/zinc/63/89/05/1028638905.db2.gz UPGKYDZBPUVNNA-INIZCTEOSA-N 1 0 360.414 2.686 20 5 FFBDRO Cc1c(NC[C@@H]2CCC3(CC[NH2+]CC3)CO2)ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001162964744 1028735246 /nfs/dbraw/zinc/73/52/46/1028735246.db2.gz AGJPVKRVSMNZNH-ZDUSSCGKSA-N 1 0 364.402 2.772 20 5 FFBDRO CC(C)Oc1nc(NCC[C@H]2C[NH2+]Cc3cccn3C2)ccc1[N+](=O)[O-] ZINC001155462833 1028746414 /nfs/dbraw/zinc/74/64/14/1028746414.db2.gz QHULTENLKHXUCV-AWEZNQCLSA-N 1 0 359.430 2.800 20 5 FFBDRO O=[N+]([O-])c1cc2nc(Cl)ccc2cc1NC[C@@H]1OC[C@H]2C[NH2+]CC[C@H]21 ZINC001155526730 1028777608 /nfs/dbraw/zinc/77/76/08/1028777608.db2.gz RRHOQBWPAHXMPS-HSMVNMDESA-N 1 0 362.817 2.833 20 5 FFBDRO O=[N+]([O-])c1cccc2ccc(-n3c4ccccc4nc3N3CC[NH2+]CC3)nc21 ZINC001155585364 1028800965 /nfs/dbraw/zinc/80/09/65/1028800965.db2.gz RTGODUQPUGGBRK-UHFFFAOYSA-N 1 0 374.404 2.892 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)c(Cl)nc1NC[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001155593121 1028805428 /nfs/dbraw/zinc/80/54/28/1028805428.db2.gz XSIDFHVSHYPXLD-OTYXRUKQSA-N 1 0 361.229 2.867 20 5 FFBDRO COc1nc(C)c([N+](=O)[O-])c(NC2CC[NH+](C[C@H]3CC=CCC3)CC2)n1 ZINC001163320161 1028891508 /nfs/dbraw/zinc/89/15/08/1028891508.db2.gz PAPFLPUGSMMTHF-AWEZNQCLSA-N 1 0 361.446 2.934 20 5 FFBDRO C[C@H]1[C@@H](NC(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC001155894204 1028964156 /nfs/dbraw/zinc/96/41/56/1028964156.db2.gz SHDSLIHJCBPEPE-IVSAIRAKSA-N 1 0 374.485 2.900 20 5 FFBDRO O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CC[NH2+]C[C@H]1c1cccs1 ZINC001156099539 1029047729 /nfs/dbraw/zinc/04/77/29/1029047729.db2.gz YNKCGPUZMGAUBA-ZETCQYMHSA-N 1 0 360.226 2.904 20 5 FFBDRO CN(C)/C=C/c1cc(N2CC[NH2+]C[C@@H]2c2cccs2)ncc1[N+](=O)[O-] ZINC001156109727 1029051466 /nfs/dbraw/zinc/05/14/66/1029051466.db2.gz DVAFATSTSCXOOM-KEDPEKRHSA-N 1 0 359.455 2.735 20 5 FFBDRO O=[N+]([O-])c1c[nH]c2ccc(N3CCC(COCC[NH+]4CCCC4)CC3)nc21 ZINC001163881766 1029103898 /nfs/dbraw/zinc/10/38/98/1029103898.db2.gz XAIXMLRXQJXYCR-UHFFFAOYSA-N 1 0 373.457 2.800 20 5 FFBDRO CN1Cc2cc(NCc3cccnc3C3CC[NH2+]CC3)cc([N+](=O)[O-])c2N1 ZINC001163917123 1029115273 /nfs/dbraw/zinc/11/52/73/1029115273.db2.gz VORWHIASAUZISS-UHFFFAOYSA-N 1 0 368.441 2.841 20 5 FFBDRO COc1nc(C)c([N+](=O)[O-])c(N(C)Cc2ccc(-n3ccnc3)cc2)n1 ZINC001156784080 1029344553 /nfs/dbraw/zinc/34/45/53/1029344553.db2.gz OSPZHWNHTGZKLU-UHFFFAOYSA-N 1 0 354.370 2.524 20 5 FFBDRO COCCC[NH+]1CCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC1 ZINC001165097490 1029386884 /nfs/dbraw/zinc/38/68/84/1029386884.db2.gz LQBXBRSITLVVBM-UHFFFAOYSA-N 1 0 374.416 2.954 20 5 FFBDRO CC[N@H+]([C@@H]1CCOC1)C1CCN(c2cnc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC001165107417 1029395383 /nfs/dbraw/zinc/39/53/83/1029395383.db2.gz GPMGPWBUDOXIOM-MRXNPFEDSA-N 1 0 371.441 2.618 20 5 FFBDRO O=[N+]([O-])c1cnc(-n2nc(C3CC[NH2+]CC3)c3ccccc32)c([N+](=O)[O-])c1 ZINC001157377162 1029569034 /nfs/dbraw/zinc/56/90/34/1029569034.db2.gz BTUVTFCIRQJVKP-UHFFFAOYSA-N 1 0 368.353 2.704 20 5 FFBDRO CCC[N@H+]1C[C@H]2CN(c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)nn3)C[C@H]2C1 ZINC001157698038 1029647583 /nfs/dbraw/zinc/64/75/83/1029647583.db2.gz AUYBKOAPYQXDJR-GASCZTMLSA-N 1 0 371.416 2.969 20 5 FFBDRO O=C(NCCC[NH2+]Cc1ccc(-c2ccsc2)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157767338 1029659276 /nfs/dbraw/zinc/65/92/76/1029659276.db2.gz LITIKXQRJRWYEZ-IAGOWNOFSA-N 1 0 359.451 2.676 20 5 FFBDRO CC(C)N(c1nc(C(F)(F)F)nc(Cl)c1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC001158032151 1029711925 /nfs/dbraw/zinc/71/19/25/1029711925.db2.gz CPPZRZNRKALQHE-SSDOTTSWSA-N 1 0 353.732 2.634 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])c(NCC[C@H]2CCC[N@H+](C)C2)cc1OC ZINC001165290440 1029932478 /nfs/dbraw/zinc/93/24/78/1029932478.db2.gz UOLBQWPKWGLLGN-GFCCVEGCSA-N 1 0 351.403 2.534 20 5 FFBDRO COc1nc(N2[C@H](C(F)(F)F)CCC23CC[NH2+]CC3)ccc1[N+](=O)[O-] ZINC001165305119 1029940283 /nfs/dbraw/zinc/94/02/83/1029940283.db2.gz VIZKWIMENZWXTE-NSHDSACASA-N 1 0 360.336 2.652 20 5 FFBDRO CN(C)/C=C/c1cc(N2CCCC[C@@H]2C2CC[NH2+]CC2)ncc1[N+](=O)[O-] ZINC001165321878 1029944577 /nfs/dbraw/zinc/94/45/77/1029944577.db2.gz ALPUDUIAFLCWJO-FWVUHSSSSA-N 1 0 359.474 2.881 20 5 FFBDRO [NH3+]C1([C@@H]2CN(c3cc([N+](=O)[O-])cc4c(Cl)ncnc43)C[C@H]2CF)CC1 ZINC001165432787 1029980488 /nfs/dbraw/zinc/98/04/88/1029980488.db2.gz HCHBXHWZRSBYQI-BXKDBHETSA-N 1 0 365.796 2.705 20 5 FFBDRO C[NH+](C)C1(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CCC1 ZINC000783752437 1030265227 /nfs/dbraw/zinc/26/52/27/1030265227.db2.gz CSUZEMQCZCHQFG-UHFFFAOYSA-N 1 0 360.458 2.799 20 5 FFBDRO CCC[NH2+][C@H]1CCc2c(sc(=N)n2-c2cc([N+](=O)[O-])c3cc[nH]c3n2)C1 ZINC001166875248 1030557953 /nfs/dbraw/zinc/55/79/53/1030557953.db2.gz DSSVYAGISIHUAN-JTQLQIEISA-N 1 0 372.454 2.660 20 5 FFBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCCN(c2ncccc2F)CC1 ZINC000784408402 1030608728 /nfs/dbraw/zinc/60/87/28/1030608728.db2.gz RUNNBKMIUDGLBG-UHFFFAOYSA-N 1 0 360.389 2.720 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2ncn(C[N@@H+]3CCC[C@H]3[C@H]3CCCOC3)n2)c1 ZINC000842616427 1030826237 /nfs/dbraw/zinc/82/62/37/1030826237.db2.gz ORMKIKGISRKJBW-RDJZCZTQSA-N 1 0 357.414 2.702 20 5 FFBDRO CC(C)Oc1cccc([C@@H](O)C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000843081850 1031173548 /nfs/dbraw/zinc/17/35/48/1031173548.db2.gz QSBNMBVVQBNCKG-OALUTQOASA-N 1 0 360.410 2.739 20 5 FFBDRO C[C@H](O)[C@@](C)(C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000843099321 1031183215 /nfs/dbraw/zinc/18/32/15/1031183215.db2.gz DSLCQZVLEIGKOU-CWFSZBLJSA-N 1 0 358.438 2.848 20 5 FFBDRO C[C@H](O)[C@@](C)(C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000843100977 1031183240 /nfs/dbraw/zinc/18/32/40/1031183240.db2.gz LEQVKOYUSZJGAG-RYGJVYDSSA-N 1 0 358.438 2.848 20 5 FFBDRO Cn1c(-c2nc(-c3ccc(N4CCC([NH3+])CC4)cc3)no2)ccc1[N+](=O)[O-] ZINC000843142750 1031208024 /nfs/dbraw/zinc/20/80/24/1031208024.db2.gz JHQFPCRNSKHLMK-UHFFFAOYSA-N 1 0 368.397 2.578 20 5 FFBDRO COc1cc(Cc2noc(C[C@H](C)C3CC[NH2+]CC3)n2)ccc1[N+](=O)[O-] ZINC000843192674 1031235753 /nfs/dbraw/zinc/23/57/53/1031235753.db2.gz WQBPBTVZQRATIH-LBPRGKRZSA-N 1 0 360.414 2.755 20 5 FFBDRO O=C(NCC1([NH2+]Cc2cccc(Cl)c2)CCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001115530521 1031787780 /nfs/dbraw/zinc/78/77/80/1031787780.db2.gz BJHLVMKJLYKFOH-HZPDHXFCSA-N 1 0 365.861 2.914 20 5 FFBDRO Nc1ccc(C(=O)NCC[NH+]2CCC3(CCCCC3)CC2)cc1[N+](=O)[O-] ZINC000799741024 1031870228 /nfs/dbraw/zinc/87/02/28/1031870228.db2.gz JPICMFQOWMOEFI-UHFFFAOYSA-N 1 0 360.458 2.953 20 5 FFBDRO COC(=O)[C@@H]1[C@@H](C[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1(F)F ZINC001205642252 1031899203 /nfs/dbraw/zinc/89/92/03/1031899203.db2.gz HCHPXWBCPBOGCY-MNOVXSKESA-N 1 0 368.258 2.758 20 5 FFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](CN2CCOC2=O)C1 ZINC000830100915 1033462310 /nfs/dbraw/zinc/46/23/10/1033462310.db2.gz IRKZQSNQFJHLBM-CQSZACIVSA-N 1 0 363.414 2.656 20 5 FFBDRO C[NH+](C)CC[C@H](NC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)c1cccnc1 ZINC000830210989 1033511978 /nfs/dbraw/zinc/51/19/78/1033511978.db2.gz WRRRJPUQJUAQCH-FHWLQOOXSA-N 1 0 368.437 2.903 20 5 FFBDRO C[NH+]1CCC2(CC[C@H](COCCOc3ccc([N+](=O)[O-])cc3)O2)CC1 ZINC001224777191 1034002324 /nfs/dbraw/zinc/00/23/24/1034002324.db2.gz NTQGHHNPWRPVFI-QGZVFWFLSA-N 1 0 350.415 2.634 20 5 FFBDRO CC(=O)O[C@H]1C[C@@H]2C[C@H](Oc3cc(Cl)ccc3[N+](=O)[O-])C[C@H]1[N@@H+]2C ZINC001225712900 1034377935 /nfs/dbraw/zinc/37/79/35/1034377935.db2.gz LMIRIIPJGGDIKA-GMZLATJGSA-N 1 0 354.790 2.794 20 5 FFBDRO C[C@H](C[NH+](C)C)Oc1ccc([N+](=O)[O-])cc1I ZINC001226033092 1034499287 /nfs/dbraw/zinc/49/92/87/1034499287.db2.gz MOLWMYGIARKLBA-MRVPVSSYSA-N 1 0 350.156 2.528 20 5 FFBDRO COC(=O)c1cc(OC)c(O[C@@H]2CCC[N@@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC001226365516 1034653075 /nfs/dbraw/zinc/65/30/75/1034653075.db2.gz ZLERIXIUZQSVKW-CYBMUJFWSA-N 1 0 352.387 2.642 20 5 FFBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cc(C(F)(F)F)c2ccccc2n1 ZINC001226962879 1034895817 /nfs/dbraw/zinc/89/58/17/1034895817.db2.gz WPPLPNVDEIOCGU-LLVKDONJSA-N 1 0 357.352 2.616 20 5 FFBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1cc(F)c([N+](=O)[O-])cc1NC(C)=O ZINC000832845047 1034998210 /nfs/dbraw/zinc/99/82/10/1034998210.db2.gz BUCMJEWTTFHHLL-NSHDSACASA-N 1 0 368.409 2.543 20 5 FFBDRO O=[N+]([O-])c1ccc2[nH]c(OC[C@H]3CN(Cc4ccccc4)CCO3)nc2c1 ZINC001227744804 1035709711 /nfs/dbraw/zinc/70/97/11/1035709711.db2.gz JIRQIPNGRMHWDC-MRXNPFEDSA-N 1 0 368.393 2.751 20 5 FFBDRO C[N@@H+]1CCC[C@@H](Oc2cc(I)ccc2[N+](=O)[O-])C1 ZINC001229151940 1036526147 /nfs/dbraw/zinc/52/61/47/1036526147.db2.gz ITEYAKCHWABAGR-SNVBAGLBSA-N 1 0 362.167 2.672 20 5 FFBDRO CN1CCO[C@@H](COc2cc(C(F)(F)F)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC001233971008 1036848112 /nfs/dbraw/zinc/84/81/12/1036848112.db2.gz YSXMLKCRDXTUEI-LLVKDONJSA-N 1 0 371.315 2.871 20 5 FFBDRO CC[N@@H+]1CC[C@H](Oc2ccc(I)c([N+](=O)[O-])c2)C1 ZINC001229952177 1036996436 /nfs/dbraw/zinc/99/64/36/1036996436.db2.gz XHMLLLRECDDGPP-JTQLQIEISA-N 1 0 362.167 2.672 20 5 FFBDRO COc1ccc(C[N@@H+]2CCC[C@H](c3n[nH]cc3NC(C)=O)C2)cc1[N+](=O)[O-] ZINC000501713420 1037057037 /nfs/dbraw/zinc/05/70/37/1037057037.db2.gz IGLBOHVEGUONEQ-AWEZNQCLSA-N 1 0 373.413 2.665 20 5 FFBDRO C[C@H](c1ccccn1)[N@@H+]1CCC[C@H](Oc2nc3c[nH]cc([N+](=O)[O-])c-3n2)C1 ZINC001230231707 1037163313 /nfs/dbraw/zinc/16/33/13/1037163313.db2.gz QDTVAZSPLRWHKD-OLZOCXBDSA-N 1 0 368.397 2.866 20 5 FFBDRO C[C@H](c1ccccn1)[N@@H+]1CCC[C@@H](Oc2nc3c[nH]cc([N+](=O)[O-])c-3n2)C1 ZINC001230231706 1037163469 /nfs/dbraw/zinc/16/34/69/1037163469.db2.gz QDTVAZSPLRWHKD-CHWSQXEVSA-N 1 0 368.397 2.866 20 5 FFBDRO CC(C)(C)OC(=O)N[C@H]1C[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC001207793335 1037735859 /nfs/dbraw/zinc/73/58/59/1037735859.db2.gz HWRDHJFCSKFDPF-PHIMTYICSA-N 1 0 362.386 2.881 20 5 FFBDRO COc1ccnc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])c(OC)c3)CC2)c1 ZINC001256086936 1038370210 /nfs/dbraw/zinc/37/02/10/1038370210.db2.gz IYBAQCLDTDXTKD-UHFFFAOYSA-N 1 0 372.425 2.766 20 5 FFBDRO COc1cc(N2CCC([NH2+]Cc3ccc(CO)cc3)CC2)ccc1[N+](=O)[O-] ZINC001256085410 1038370259 /nfs/dbraw/zinc/37/02/59/1038370259.db2.gz OEHGLFMSRUULQL-UHFFFAOYSA-N 1 0 371.437 2.854 20 5 FFBDRO COc1cc(N2CCC([NH2+]Cc3ccccc3CO)CC2)ccc1[N+](=O)[O-] ZINC001256087627 1038372698 /nfs/dbraw/zinc/37/26/98/1038372698.db2.gz HSFSGJURGIBFQX-UHFFFAOYSA-N 1 0 371.437 2.854 20 5 FFBDRO COc1cc(N2CCC([NH2+]CC3(F)CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC001256087262 1038373398 /nfs/dbraw/zinc/37/33/98/1038373398.db2.gz UJXMSIAMPSDWFT-UHFFFAOYSA-N 1 0 367.421 2.681 20 5 FFBDRO COc1cc(N2CCC([N@@H+]3CCC[C@H](C)[C@H]3CO)CC2)ccc1[N+](=O)[O-] ZINC001256092952 1038376699 /nfs/dbraw/zinc/37/66/99/1038376699.db2.gz CFALUFULMPRPMP-KBXCAEBGSA-N 1 0 363.458 2.665 20 5 FFBDRO CC[N@H+](CCn1cccn1)C1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC001256100291 1038383782 /nfs/dbraw/zinc/38/37/82/1038383782.db2.gz DHGIYXOITIKYLB-UHFFFAOYSA-N 1 0 373.457 2.791 20 5 FFBDRO C[NH+]1CCN(c2cc(-c3nnc(CC(C)(C)C)o3)cc([N+](=O)[O-])c2)CC1 ZINC001257904021 1039051847 /nfs/dbraw/zinc/05/18/47/1039051847.db2.gz ZWUUHXVFLNBUNA-UHFFFAOYSA-N 1 0 359.430 2.985 20 5 FFBDRO C[C@@H]1C[NH+](CCc2nnc(-c3cc4ccc([N+](=O)[O-])cc4[nH]3)o2)C[C@@H](C)O1 ZINC001258027808 1039126484 /nfs/dbraw/zinc/12/64/84/1039126484.db2.gz PZCRBAXRRRDOAU-VXGBXAGGSA-N 1 0 371.397 2.778 20 5 FFBDRO C[C@@H]1C[N@@H+](CCc2nnc(-c3cc(Cl)ccc3[N+](=O)[O-])o2)C[C@H](C)O1 ZINC001258144471 1039222907 /nfs/dbraw/zinc/22/29/07/1039222907.db2.gz CIOGRMWHTBDNKR-PHIMTYICSA-N 1 0 366.805 2.950 20 5 FFBDRO CCOc1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH+](C)C)c([N+](=O)[O-])cc1OC ZINC001251761601 1039292806 /nfs/dbraw/zinc/29/28/06/1039292806.db2.gz JFJRUBUQKNQPAJ-ZIAGYGMSSA-N 1 0 365.430 2.605 20 5 FFBDRO C[C@@H]1C[C@@H](NCCCNC(=O)c2c3ccccc3nc3ccccc32)C[NH2+]1 ZINC001246485966 1039368864 /nfs/dbraw/zinc/36/88/64/1039368864.db2.gz XDMIQLRENUWDEE-HZPDHXFCSA-N 1 0 362.477 2.848 20 5 FFBDRO C[C@@H]1C[NH2+][C@@H](C)CN1C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001246694357 1039441791 /nfs/dbraw/zinc/44/17/91/1039441791.db2.gz VXUDFWTTZQJLFU-NWDGAFQWSA-N 1 0 354.401 2.524 20 5 FFBDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)Nc2cc(C)cc([N+](=O)[O-])c2)C1 ZINC001210576445 1039617983 /nfs/dbraw/zinc/61/79/83/1039617983.db2.gz AYKWDYHJVCASPO-KRWDZBQOSA-N 1 0 364.446 2.868 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC001213137862 1040273785 /nfs/dbraw/zinc/27/37/85/1040273785.db2.gz JLQYMONWQMJMSZ-MRXNPFEDSA-N 1 0 367.471 2.589 20 5 FFBDRO COc1cnc(-c2noc(C[C@@H]([NH3+])c3ccc([N+](=O)[O-])cc3)n2)c(C)c1 ZINC001249343014 1040692315 /nfs/dbraw/zinc/69/23/15/1040692315.db2.gz URJIGCUIJBUMOL-CQSZACIVSA-N 1 0 355.354 2.599 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CC3(c4cnccn4)CC3)CC2)cc1 ZINC001254470443 1040737346 /nfs/dbraw/zinc/73/73/46/1040737346.db2.gz MXPTYMXAUWQQFM-UHFFFAOYSA-N 1 0 353.426 2.675 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCN3CCC[C@H](F)C3)CC2)cc1 ZINC001254470034 1040737632 /nfs/dbraw/zinc/73/76/32/1040737632.db2.gz LXIMVTXWNILKFW-HNNXBMFYSA-N 1 0 350.438 2.587 20 5 FFBDRO O=C(C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccc(O)cc1 ZINC001254472912 1040739717 /nfs/dbraw/zinc/73/97/17/1040739717.db2.gz UWYRSELYXQAWEP-UHFFFAOYSA-N 1 0 355.394 2.742 20 5 FFBDRO COC(=O)CC1CC[NH+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001254474462 1040740897 /nfs/dbraw/zinc/74/08/97/1040740897.db2.gz REBTUEBXILKTFL-UHFFFAOYSA-N 1 0 361.442 2.839 20 5 FFBDRO CCCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254479314 1040744771 /nfs/dbraw/zinc/74/47/71/1040744771.db2.gz XJRXIDSVZYXSAE-IBGZPJMESA-N 1 0 374.485 2.944 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](CO)Cc1ccc(F)cc1F ZINC001254551146 1040793075 /nfs/dbraw/zinc/79/30/75/1040793075.db2.gz YZHSJQFEXJAPBN-LRDDRELGSA-N 1 0 350.365 2.997 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(N2CCOCC2=O)cc1 ZINC001254548807 1040793142 /nfs/dbraw/zinc/79/31/42/1040793142.db2.gz QCRMAKVGSFRATI-HNNXBMFYSA-N 1 0 369.421 2.679 20 5 FFBDRO O=C(c1ccccc1)N1CCC[C@@H]([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254575641 1040811026 /nfs/dbraw/zinc/81/10/26/1040811026.db2.gz SBLSTPXNWUBSME-MOPGFXCFSA-N 1 0 365.433 2.956 20 5 FFBDRO CC(C)(C)OC(=O)N[C@H]1[C@H]2C[N@@H+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@H]21 ZINC001254595677 1040824677 /nfs/dbraw/zinc/82/46/77/1040824677.db2.gz XXSSWIDLHLTGIE-WCXIOVBPSA-N 1 0 359.426 2.517 20 5 FFBDRO Cc1noc([C@H]2CC[C@@H]3[C@@H](CC[N@@H+]3[C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)O2)n1 ZINC001254595240 1040824870 /nfs/dbraw/zinc/82/48/70/1040824870.db2.gz HRULBHDSMMAXQC-BRSBDYLESA-N 1 0 370.409 2.748 20 5 FFBDRO Cc1noc([C@@H]2CC[C@@H]3[C@@H](CC[N@@H+]3[C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)O2)n1 ZINC001254595248 1040825208 /nfs/dbraw/zinc/82/52/08/1040825208.db2.gz HRULBHDSMMAXQC-TVFCKZIOSA-N 1 0 370.409 2.748 20 5 FFBDRO CCOC[C@@H]1C[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)Cc2cn(CC)nc21 ZINC001254597145 1040827229 /nfs/dbraw/zinc/82/72/29/1040827229.db2.gz UTUUDVGPXOABHV-PKOBYXMFSA-N 1 0 370.453 2.914 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H](N(c1ccc(F)cn1)C1CC[NH2+]CC1)C2 ZINC001254610545 1040838467 /nfs/dbraw/zinc/83/84/67/1040838467.db2.gz KQVIDGHLCGDTGS-SFHVURJKSA-N 1 0 356.401 2.855 20 5 FFBDRO COc1cccnc1O[C@H]1CC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254611011 1040839210 /nfs/dbraw/zinc/83/92/10/1040839210.db2.gz NVCCHTVFNWVVKD-SJORKVTESA-N 1 0 355.394 2.619 20 5 FFBDRO CCCN(CC[NH+](C)C)C(=O)c1cc(Cl)c([N+](=O)[O-])cc1NC(C)=O ZINC001261259943 1041107197 /nfs/dbraw/zinc/10/71/97/1041107197.db2.gz XOSWSKIKBASFHH-UHFFFAOYSA-N 1 0 370.837 2.620 20 5 FFBDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)OC[C@H](C)[N+](=O)[O-])C1 ZINC000813115785 1041110427 /nfs/dbraw/zinc/11/04/27/1041110427.db2.gz ZOQAHWLWQNFVSS-AWEZNQCLSA-N 1 0 359.426 2.616 20 5 FFBDRO O=C1COc2ccccc2N1CC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC001261553887 1041307664 /nfs/dbraw/zinc/30/76/64/1041307664.db2.gz MZZASPSMYZWBLY-HNNXBMFYSA-N 1 0 353.378 2.597 20 5 FFBDRO C[N@@H+]1C[C@@]23CN(C(=O)Cc4ccc(F)cc4[N+](=O)[O-])C[C@]2(C1)CCCC3 ZINC001262662774 1041782292 /nfs/dbraw/zinc/78/22/92/1041782292.db2.gz NQNITEJTXHOAEJ-KDURUIRLSA-N 1 0 361.417 2.611 20 5 FFBDRO CC[NH+](CC)CC[C@H](NC(=O)Cn1cc([N+](=O)[O-])nc1C)c1ccccc1 ZINC001262832152 1041884387 /nfs/dbraw/zinc/88/43/87/1041884387.db2.gz JYMLZDOBUDJPRG-KRWDZBQOSA-N 1 0 373.457 2.689 20 5 FFBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC001216474918 1042037588 /nfs/dbraw/zinc/03/75/88/1042037588.db2.gz YOOZKUASQYWQNA-UHFFFAOYSA-N 1 0 369.425 2.506 20 5 FFBDRO CSc1cccc(C(=O)OC[C@H]2CC[N@@H+]2C2CCOCC2)c1[N+](=O)[O-] ZINC001263619610 1042404150 /nfs/dbraw/zinc/40/41/50/1042404150.db2.gz AJYQYZPVQOURTQ-CYBMUJFWSA-N 1 0 366.439 2.727 20 5 FFBDRO CCCC[N@H+](C)C[C@H](C)NS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC001309548078 1043430515 /nfs/dbraw/zinc/43/05/15/1043430515.db2.gz PUHFHMNDVWNMBO-AWEZNQCLSA-N 1 0 357.476 2.610 20 5 FFBDRO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC001318956366 1044958014 /nfs/dbraw/zinc/95/80/14/1044958014.db2.gz JDLGZUZGAVCKOR-CHWSQXEVSA-N 1 0 370.247 2.960 20 5 FFBDRO Cc1cc(F)ccc1C[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(C)C ZINC001317686685 1045119532 /nfs/dbraw/zinc/11/95/32/1045119532.db2.gz RNENYJLUQORZGA-IAGOWNOFSA-N 1 0 351.422 2.516 20 5 FFBDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])C(=O)NCC(F)(F)F ZINC001319849754 1045285862 /nfs/dbraw/zinc/28/58/62/1045285862.db2.gz HUERXKPANAYQFY-OUCADQQQSA-N 1 0 373.375 2.963 20 5 FFBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@H](CO)CC1CCOCC1)C1CC1 ZINC001320863124 1045484138 /nfs/dbraw/zinc/48/41/38/1045484138.db2.gz NCPNGYDLMITYEV-APWZRJJASA-N 1 0 362.470 2.931 20 5 FFBDRO CS[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)C[C@H]1[NH+](C)C ZINC001321060998 1045527617 /nfs/dbraw/zinc/52/76/17/1045527617.db2.gz TWAHAJPIBBPWIF-CHWSQXEVSA-N 1 0 358.851 2.758 20 5 FFBDRO Cn1cc(N2CC[C@@H]([NH2+][C@@H]3CCCCc4ccc([N+](=O)[O-])cc43)C2)cn1 ZINC001325313959 1046464259 /nfs/dbraw/zinc/46/42/59/1046464259.db2.gz UJLNVZGJZFVPFO-DNVCBOLYSA-N 1 0 355.442 2.964 20 5 FFBDRO C[C@H](C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)CN(C)C(=O)OC(C)(C)C ZINC001325872187 1046669850 /nfs/dbraw/zinc/66/98/50/1046669850.db2.gz UCOAYQHRKDYLGT-CJNGLKHVSA-N 1 0 367.446 2.721 20 5 FFBDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001290240848 1047949451 /nfs/dbraw/zinc/94/94/51/1047949451.db2.gz KLFGMIHGYPRULY-CQSZACIVSA-N 1 0 371.441 2.979 20 5 FFBDRO O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001331552416 1047998886 /nfs/dbraw/zinc/99/88/86/1047998886.db2.gz FRJNUOOQOSILLZ-SFHVURJKSA-N 1 0 358.442 2.679 20 5 FFBDRO COc1cc(Cc2noc(-c3ccc4c(c3)C[NH2+]CC4)n2)ccc1[N+](=O)[O-] ZINC001328040861 1048150104 /nfs/dbraw/zinc/15/01/04/1048150104.db2.gz FQSBZDKIMWUICU-UHFFFAOYSA-N 1 0 366.377 2.890 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)c1C ZINC001331936389 1048179441 /nfs/dbraw/zinc/17/94/41/1048179441.db2.gz HKVSJAYJAGPUEI-UHFFFAOYSA-N 1 0 361.442 2.539 20 5 FFBDRO Cc1nnc(N(C)Cc2ccccc2[N+](=O)[O-])n1CC[NH+]1CCCCC1 ZINC001290719769 1048342339 /nfs/dbraw/zinc/34/23/39/1048342339.db2.gz YMPHCYMJPJBDBA-UHFFFAOYSA-N 1 0 358.446 2.617 20 5 FFBDRO C[C@@H]1CCc2ccccc2N1CC[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC001332976682 1048653827 /nfs/dbraw/zinc/65/38/27/1048653827.db2.gz RPQNSWFFGHGYFJ-ODIFPOPNSA-N 1 0 355.442 2.926 20 5 FFBDRO O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1ccc(C[NH+]2CCCC2)o1 ZINC001540836530 1071015340 /nfs/dbraw/zinc/01/53/40/1071015340.db2.gz ACTITAUQNBKIOK-UHFFFAOYSA-N 1 0 358.398 2.626 20 5 FFBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCN(c2cnn(C)c2)C1 ZINC001329642210 1048826265 /nfs/dbraw/zinc/82/62/65/1048826265.db2.gz GEEGCALOIMFIKS-STQMWFEESA-N 1 0 361.471 2.980 20 5 FFBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)CCc1nccc(C(F)(F)F)n1 ZINC001333478082 1048924867 /nfs/dbraw/zinc/92/48/67/1048924867.db2.gz CVYPGGATUBSAJU-UHFFFAOYSA-N 1 0 370.331 2.957 20 5 FFBDRO O=C(NCC[N@@H+]1CCc2ccccc2C1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001330142526 1049057140 /nfs/dbraw/zinc/05/71/40/1049057140.db2.gz UFGQWELWPAWZRO-UHFFFAOYSA-N 1 0 366.421 2.678 20 5 FFBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC001292799433 1049396571 /nfs/dbraw/zinc/39/65/71/1049396571.db2.gz IKSIRQHPAFPBEV-LLVKDONJSA-N 1 0 372.263 2.746 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC([C@H]2C(=O)Nc3ccccc32)CC1 ZINC001331096760 1049470195 /nfs/dbraw/zinc/47/01/95/1049470195.db2.gz BKJAQVNYJQKZKO-GOSISDBHSA-N 1 0 369.425 2.548 20 5 FFBDRO [NH3+]Cc1ccccc1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC001341579406 1050206302 /nfs/dbraw/zinc/20/63/02/1050206302.db2.gz AZSFCYAJSFSZIK-UHFFFAOYSA-N 1 0 355.394 2.737 20 5 FFBDRO [NH3+]C[C@@H]1Cc2ccccc2N(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])C1 ZINC001342319288 1050914349 /nfs/dbraw/zinc/91/43/49/1050914349.db2.gz WXEYIFZIJOEALA-ZDUSSCGKSA-N 1 0 357.385 2.831 20 5 FFBDRO Cc1ccc([C@@H](C)NC(=O)c2cccc3c2OCC[NH2+]C3)cc1[N+](=O)[O-] ZINC001340767141 1051120186 /nfs/dbraw/zinc/12/01/86/1051120186.db2.gz KYSBKFMXYCJCBN-CYBMUJFWSA-N 1 0 355.394 2.876 20 5 FFBDRO C[NH2+]CCN(C(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1)C(C)C ZINC001342537143 1051140841 /nfs/dbraw/zinc/14/08/41/1051140841.db2.gz RSROYHRTCGCGDU-UHFFFAOYSA-N 1 0 373.457 2.526 20 5 FFBDRO [NH3+]C[C@@H]1Cc2ccccc2N(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC001340797108 1051142603 /nfs/dbraw/zinc/14/26/03/1051142603.db2.gz USQUPEWRUAEBBN-MORSLUCNSA-N 1 0 351.406 2.863 20 5 FFBDRO COc1cc(C(=O)N2C[C@]34C[N@H+](C)C[C@@]3(C2)CCCC4)cc([N+](=O)[O-])c1C ZINC001340978304 1051312028 /nfs/dbraw/zinc/31/20/28/1051312028.db2.gz CMYWGKVCHKPMAV-BGYRXZFFSA-N 1 0 373.453 2.860 20 5 FFBDRO CCn1c(-c2c[nH]c([N+](=O)[O-])c2)nnc1N1CCC(CC)([NH+]2CCC2)CC1 ZINC001342734810 1051350503 /nfs/dbraw/zinc/35/05/03/1051350503.db2.gz GZYXJXDTEUQTNG-UHFFFAOYSA-N 1 0 373.461 2.656 20 5 FFBDRO O=C(c1csc([N+](=O)[O-])c1)N1C[C@H](C[C@@H]2COCC[NH2+]2)c2ccccc21 ZINC001342758914 1051374848 /nfs/dbraw/zinc/37/48/48/1051374848.db2.gz SUPZEBQRSFFYGJ-GXTWGEPZSA-N 1 0 373.434 2.779 20 5 FFBDRO O=C(Nc1cc([N+](=O)[O-])n[nH]1)[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC001303575512 1051392756 /nfs/dbraw/zinc/39/27/56/1051392756.db2.gz ZOZQWTIKWJCQDU-AWEZNQCLSA-N 1 0 355.398 2.559 20 5 FFBDRO C[C@@H]1[C@@H](NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC001303800980 1051451051 /nfs/dbraw/zinc/45/10/51/1051451051.db2.gz KHPOSVGFDNCRIL-ZBFHGGJFSA-N 1 0 360.458 2.654 20 5 FFBDRO C[C@@H]1[C@H](NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC001303802581 1051452275 /nfs/dbraw/zinc/45/22/75/1051452275.db2.gz ZLAZBNOHIFUZHB-ZYHUDNBSSA-N 1 0 374.363 2.624 20 5 FFBDRO COc1ccc(C(=O)N2CCC([C@H]3CCC[NH2+]CC3)CC2)cc1[N+](=O)[O-] ZINC001341251642 1051611587 /nfs/dbraw/zinc/61/15/87/1051611587.db2.gz UWINFTVMQLVYTC-AWEZNQCLSA-N 1 0 361.442 2.845 20 5 FFBDRO O=C(c1ccc2c(c1)OCC[NH2+]C2)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001341284831 1051643228 /nfs/dbraw/zinc/64/32/28/1051643228.db2.gz NTZDMASDIBBPAK-UHFFFAOYSA-N 1 0 367.405 2.882 20 5 FFBDRO O=[N+]([O-])c1cnc2ccc(F)cc2c1NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001306931280 1052223624 /nfs/dbraw/zinc/22/36/24/1052223624.db2.gz HPERWDCRVJLCIA-OAHLLOKOSA-N 1 0 374.416 2.759 20 5 FFBDRO [NH3+]CC[C@H]1Cc2ccccc2N(C(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC001345194187 1052312414 /nfs/dbraw/zinc/31/24/14/1052312414.db2.gz YYHKVIHLNFFHJT-AWEZNQCLSA-N 1 0 355.394 2.528 20 5 FFBDRO CN(CCCC[NH+]1CCCCC1)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001308037552 1052390221 /nfs/dbraw/zinc/39/02/21/1052390221.db2.gz CPZTZRDLEWSJTC-UHFFFAOYSA-N 1 0 374.485 2.682 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+]C[C@H](C)Oc2ccccc2)cc1[N+](=O)[O-] ZINC001308272544 1052440642 /nfs/dbraw/zinc/44/06/42/1052440642.db2.gz DNGRLLRNXYNGQP-AWEZNQCLSA-N 1 0 374.393 2.704 20 5 FFBDRO CC(C)C[C@@H](CNC(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1)[NH+](C)C ZINC001542929041 1071338733 /nfs/dbraw/zinc/33/87/33/1071338733.db2.gz WKHLAZBMLSHIAK-KRWDZBQOSA-N 1 0 373.457 2.546 20 5 FFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]Cc2cccnc2N2CCCCC2)c1 ZINC001335344891 1053306282 /nfs/dbraw/zinc/30/62/82/1053306282.db2.gz HWFQYNTYSZNYQU-SFHVURJKSA-N 1 0 356.426 2.803 20 5 FFBDRO COc1ccc([C@H](CN(C)C)[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC001335414555 1053346755 /nfs/dbraw/zinc/34/67/55/1053346755.db2.gz YUXPQRAPGUFFDG-RBUKOAKNSA-N 1 0 359.426 2.529 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]Cc1ccncc1C(F)(F)F ZINC001335447708 1053368340 /nfs/dbraw/zinc/36/83/40/1053368340.db2.gz IUIZAKXNCSWLGC-GFCCVEGCSA-N 1 0 371.315 2.538 20 5 FFBDRO O=C(NC[C@]12CCC[C@H]1[NH2+]CC2)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001335645195 1053484046 /nfs/dbraw/zinc/48/40/46/1053484046.db2.gz JCWPWGZBPDTOQT-IEBWSBKVSA-N 1 0 358.442 2.801 20 5 FFBDRO C[C@H](CNC(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)c1ccccc1[N+](=O)[O-] ZINC001335681539 1053502117 /nfs/dbraw/zinc/50/21/17/1053502117.db2.gz UVKUGBJCFQIQDU-BZUAXINKSA-N 1 0 360.458 2.729 20 5 FFBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1Nc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC001336560213 1054062868 /nfs/dbraw/zinc/06/28/68/1054062868.db2.gz FBULVXIDCIYTAW-SUMWQHHRSA-N 1 0 358.442 2.725 20 5 FFBDRO C[NH+]1CCC2(CC1)CN(c1cc(C(F)(F)F)ccc1[N+](=O)[O-])CCO2 ZINC001336669734 1054127347 /nfs/dbraw/zinc/12/73/47/1054127347.db2.gz PGCCDULQMIOKOY-UHFFFAOYSA-N 1 0 359.348 2.915 20 5 FFBDRO CN(CC[NH+]1CC2(C1)CCOCC2)c1ccnc2c1cccc2[N+](=O)[O-] ZINC001351794022 1055003925 /nfs/dbraw/zinc/00/39/25/1055003925.db2.gz IGKJJIHOIBSXTQ-UHFFFAOYSA-N 1 0 356.426 2.692 20 5 FFBDRO CCc1ccc(S(=O)(=O)N2CCC([NH+](CC)CC)CC2)cc1[N+](=O)[O-] ZINC001349076721 1055078450 /nfs/dbraw/zinc/07/84/50/1055078450.db2.gz PHEWXAGIYPNLDO-UHFFFAOYSA-N 1 0 369.487 2.652 20 5 FFBDRO Cc1c(F)cc(-c2nnc(N3CC[NH+](C4CCC4)CC3)n2C)cc1[N+](=O)[O-] ZINC001337919772 1055105151 /nfs/dbraw/zinc/10/51/51/1055105151.db2.gz OOMHDBNKYSGWHM-UHFFFAOYSA-N 1 0 374.420 2.512 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)CCNc3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC001352184617 1055256388 /nfs/dbraw/zinc/25/63/88/1055256388.db2.gz VUIADWXWFWVROO-OWCLPIDISA-N 1 0 360.458 2.586 20 5 FFBDRO C[NH+]1CCN(c2ccccc2C(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC001338428733 1055505708 /nfs/dbraw/zinc/50/57/08/1055505708.db2.gz HTSHHLQUIFPXJH-UHFFFAOYSA-N 1 0 358.373 2.738 20 5 FFBDRO O=[N+]([O-])c1ccc(NCC[NH2+]C[C@H](O)COc2cccc3[nH]ccc32)cc1 ZINC001356533657 1055561609 /nfs/dbraw/zinc/56/16/09/1055561609.db2.gz SLFLROZMUSDTIJ-INIZCTEOSA-N 1 0 370.409 2.518 20 5 FFBDRO Cc1c(C(=O)OCc2ccc(N(C)C)c([N+](=O)[O-])c2)ccc2c[nH+]cn21 ZINC001357624924 1055968623 /nfs/dbraw/zinc/96/86/23/1055968623.db2.gz WGCMFHUTVHEOKD-UHFFFAOYSA-N 1 0 354.366 2.974 20 5 FFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)c1 ZINC001358118032 1056146607 /nfs/dbraw/zinc/14/66/07/1056146607.db2.gz CEZGPRDFKNOMAX-MNOVXSKESA-N 1 0 363.361 2.668 20 5 FFBDRO C[C@H](CC(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-])C(F)(F)F ZINC001339184256 1056176456 /nfs/dbraw/zinc/17/64/56/1056176456.db2.gz HLYIPDMDRGUTAW-LLVKDONJSA-N 1 0 374.363 2.874 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ccc(CNC[C@H]3C[N@@H+]4CCC[C@@H]4CO3)o2)cc1 ZINC001200267437 1056189155 /nfs/dbraw/zinc/18/91/55/1056189155.db2.gz FYBIJGJDIHRLNH-AEFFLSMTSA-N 1 0 357.410 2.808 20 5 FFBDRO Cn1c(C2CC[NH+](C)CC2)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001339404137 1056419687 /nfs/dbraw/zinc/41/96/87/1056419687.db2.gz UIKVUVRNCFQCEN-UHFFFAOYSA-N 1 0 370.457 2.702 20 5 FFBDRO C[N@H+](CC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)CC(C)(C)C ZINC001544724831 1071682817 /nfs/dbraw/zinc/68/28/17/1071682817.db2.gz IEZGHXOLHQXVFF-UHFFFAOYSA-N 1 0 363.458 2.943 20 5 FFBDRO O=C(N[C@@H]1C[NH+]2CCC1CC2)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001514564698 1058988799 /nfs/dbraw/zinc/98/87/99/1058988799.db2.gz GUKOGHOGVGWGTP-CQSZACIVSA-N 1 0 358.423 2.542 20 5 FFBDRO C[N@@H+]1CCN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])C[C@H]1C(C)(C)C ZINC001452608992 1059259330 /nfs/dbraw/zinc/25/93/30/1059259330.db2.gz OBPKPLCTLYLYAO-INIZCTEOSA-N 1 0 351.422 2.855 20 5 FFBDRO CN(CC(C)(C)C[NH2+]CC1CCC2(CC2)CC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001505811295 1059405405 /nfs/dbraw/zinc/40/54/05/1059405405.db2.gz ASAXGZVQMBDUMG-HZPDHXFCSA-N 1 0 351.491 2.696 20 5 FFBDRO C[N@H+](CC(=O)NCc1ccc(Br)cc1[N+](=O)[O-])CC(C)(C)C ZINC001455244451 1059736946 /nfs/dbraw/zinc/73/69/46/1059736946.db2.gz HOMQNMZFJWQCJU-UHFFFAOYSA-N 1 0 372.263 2.951 20 5 FFBDRO O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCCC[C@@]12CCC[NH2+]C2 ZINC001515774154 1059789126 /nfs/dbraw/zinc/78/91/26/1059789126.db2.gz TZYWUDHDNMSJMF-IBGZPJMESA-N 1 0 369.425 2.529 20 5 FFBDRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)OC ZINC001547207084 1071932094 /nfs/dbraw/zinc/93/20/94/1071932094.db2.gz HCNHHDDSNJHNBO-INIZCTEOSA-N 1 0 374.445 2.725 20 5 FFBDRO CCCNC(=O)[C@@H]1CCC[N@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C1 ZINC000848477210 1060098843 /nfs/dbraw/zinc/09/88/43/1060098843.db2.gz NFXOQSSBWJRKNU-OAHLLOKOSA-N 1 0 371.441 2.654 20 5 FFBDRO CCOC1CC2(C1)CC[N@H+](CN1CC[C@H](c3ccc([N+](=O)[O-])cc3)C1=O)C2 ZINC000848486931 1060133209 /nfs/dbraw/zinc/13/32/09/1060133209.db2.gz NVYTXDKDECWDPL-QPIRBTGLSA-N 1 0 373.453 2.759 20 5 FFBDRO COC(=O)[C@@H]1C[N@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C[C@H]1C1CC1 ZINC000848489982 1060146230 /nfs/dbraw/zinc/14/62/30/1060146230.db2.gz UNVHKXCHAGVTCY-DLBZAZTESA-N 1 0 370.409 2.547 20 5 FFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC001355364822 1060172037 /nfs/dbraw/zinc/17/20/37/1060172037.db2.gz RVRVQTYBFJJJHC-SSKCKEOISA-N 1 0 357.435 2.816 20 5 FFBDRO O=C(N1CC[C@@H](C[NH+]2CCCC2)C1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848584134 1060308779 /nfs/dbraw/zinc/30/87/79/1060308779.db2.gz OWZXSAGCCVYYJM-ZDUSSCGKSA-N 1 0 369.368 2.511 20 5 FFBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000848587567 1060319247 /nfs/dbraw/zinc/31/92/47/1060319247.db2.gz JNVXGRRICVWMEN-CYBMUJFWSA-N 1 0 371.384 2.757 20 5 FFBDRO Cn1cc([N+](=O)[O-])c(N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)n1 ZINC001458239175 1060547645 /nfs/dbraw/zinc/54/76/45/1060547645.db2.gz NCHDSTUFJRADAP-DLBZAZTESA-N 1 0 355.442 2.819 20 5 FFBDRO Cn1cc([N+](=O)[O-])c(N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)n1 ZINC001458239187 1060547820 /nfs/dbraw/zinc/54/78/20/1060547820.db2.gz NCHDSTUFJRADAP-SJORKVTESA-N 1 0 355.442 2.819 20 5 FFBDRO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001521540241 1060948772 /nfs/dbraw/zinc/94/87/72/1060948772.db2.gz CMUGYIZDFISTPQ-KRWDZBQOSA-N 1 0 351.834 2.783 20 5 FFBDRO C[N@H+](CCCNC(=O)OC(C)(C)C)CCOc1ccc([N+](=O)[O-])cc1 ZINC001460414169 1060985983 /nfs/dbraw/zinc/98/59/83/1060985983.db2.gz DQBTVZVHMFNDBK-UHFFFAOYSA-N 1 0 353.419 2.820 20 5 FFBDRO C[C@H]1CC[C@@](CO)(NCc2ccc(C(N)=O)cc2[N+](=O)[O-])c2ccccc21 ZINC001460944257 1061158060 /nfs/dbraw/zinc/15/80/60/1061158060.db2.gz FSPUJIQUCPSIRO-RBZFPXEDSA-N 1 0 369.421 2.568 20 5 FFBDRO O=C(CN1CCCC[C@@]12CCCOC2)N1CCc2cc([N+](=O)[O-])ccc21 ZINC001460982697 1061177316 /nfs/dbraw/zinc/17/73/16/1061177316.db2.gz XOFKFUWRVINFOD-IBGZPJMESA-N 1 0 359.426 2.519 20 5 FFBDRO CC(C)(C(=O)OC[C@H]1CC[N@@H+]1C1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC001526620117 1061185131 /nfs/dbraw/zinc/18/51/31/1061185131.db2.gz GMTICYXATBKRMF-OAHLLOKOSA-N 1 0 362.426 2.669 20 5 FFBDRO C[N@H+](CCNC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC001526656350 1061206551 /nfs/dbraw/zinc/20/65/51/1061206551.db2.gz PZENGRXWGLQVCU-RBUKOAKNSA-N 1 0 353.422 2.947 20 5 FFBDRO CN(C)C(=O)[C@H]1CCC[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC001461214702 1061253878 /nfs/dbraw/zinc/25/38/78/1061253878.db2.gz FCJCBMOXIVCVOT-WCQYABFASA-N 1 0 371.384 2.933 20 5 FFBDRO Cc1ccc(Sc2ccc(C[NH2+]C[C@@H](O)[C@@H](C)O)cc2[N+](=O)[O-])cc1 ZINC001461670186 1061371759 /nfs/dbraw/zinc/37/17/59/1061371759.db2.gz OYJLIIPRFLRAGM-CXAGYDPISA-N 1 0 362.451 2.886 20 5 FFBDRO CCOC(=O)[C@]1(C(C)C)CC[N@H+](Cc2ccc(O)c(OC)c2[N+](=O)[O-])C1 ZINC001462174069 1061527002 /nfs/dbraw/zinc/52/70/02/1061527002.db2.gz MTXNBXZGPLPQHU-GOSISDBHSA-N 1 0 366.414 2.720 20 5 FFBDRO CC[C@@H](C)[C@@H](C)NC(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001477130418 1061593621 /nfs/dbraw/zinc/59/36/21/1061593621.db2.gz NRBJXSSTOMXGGE-ZIAGYGMSSA-N 1 0 363.462 2.903 20 5 FFBDRO COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC001462547116 1061665852 /nfs/dbraw/zinc/66/58/52/1061665852.db2.gz DNKUMILCNNAMAE-KPXOXKRLSA-N 1 0 357.204 2.645 20 5 FFBDRO CC[NH+](CC)CC[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC001522858255 1062310052 /nfs/dbraw/zinc/31/00/52/1062310052.db2.gz QNQOGUYGCFDRNA-CQSZACIVSA-N 1 0 359.430 2.631 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N(CCCc2ccccc2)CC[NH+](C)C)n1 ZINC001464509360 1062655735 /nfs/dbraw/zinc/65/57/35/1062655735.db2.gz ZSGIMGWQOJQPNP-UHFFFAOYSA-N 1 0 370.453 2.935 20 5 FFBDRO C[C@H]1CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CCN1c1cc[nH+]cc1 ZINC001438906489 1063068357 /nfs/dbraw/zinc/06/83/57/1063068357.db2.gz DWLTURCYUOVVPG-AWEZNQCLSA-N 1 0 372.450 2.819 20 5 FFBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NCCC1CC[NH+](Cc2ccccc2)CC1 ZINC001534060102 1063484161 /nfs/dbraw/zinc/48/41/61/1063484161.db2.gz QJVNZQZYLDMZRC-UHFFFAOYSA-N 1 0 370.453 2.965 20 5 FFBDRO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001442722799 1063558848 /nfs/dbraw/zinc/55/88/48/1063558848.db2.gz MSNQOZAWSACJGA-UHFFFAOYSA-N 1 0 371.441 2.556 20 5 FFBDRO C[NH+](C)C[C@H]1CCN(C(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])C1 ZINC001466794879 1063561397 /nfs/dbraw/zinc/56/13/97/1063561397.db2.gz SYKNRPURCQJMPH-CQSZACIVSA-N 1 0 354.410 2.681 20 5 FFBDRO CC[C@@H](CNc1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-])[NH+]1CCCC1 ZINC001472655605 1065121747 /nfs/dbraw/zinc/12/17/47/1065121747.db2.gz TZDSFVWXYTYYIA-LBPRGKRZSA-N 1 0 359.386 2.759 20 5 FFBDRO O=[N+]([O-])c1cccc2ncnc(NC[C@@H]3CCCC[C@@H]3[NH+]3CCOCC3)c21 ZINC001472878435 1065165816 /nfs/dbraw/zinc/16/58/16/1065165816.db2.gz OHZSCZMRASBWGQ-HOCLYGCPSA-N 1 0 371.441 2.841 20 5 FFBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNc2cc(-c3nn[nH]n3)sc2[N+](=O)[O-])C1 ZINC001575970195 1078182631 /nfs/dbraw/zinc/18/26/31/1078182631.db2.gz NSTUCRVNRORBNT-GHMZBOCLSA-N 1 0 365.463 2.616 20 5 FFBDRO COc1cc(C[NH2+]CCc2ccn(-c3ccccc3)n2)c([N+](=O)[O-])cc1O ZINC001473971773 1065429562 /nfs/dbraw/zinc/42/95/62/1065429562.db2.gz FGPDQKAUOAIZIF-UHFFFAOYSA-N 1 0 368.393 2.827 20 5 FFBDRO CC1(C)C[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H]([NH3+])C1 ZINC001576404567 1078225853 /nfs/dbraw/zinc/22/58/53/1078225853.db2.gz DQOARWVGPYAQEL-LSDHHAIUSA-N 1 0 370.457 2.827 20 5 FFBDRO C[C@H]1C[C@H]1n1c([C@H]2C[C@@H]([NH3+])C2)nnc1N(C)Cc1ccccc1[N+](=O)[O-] ZINC001576635088 1078252827 /nfs/dbraw/zinc/25/28/27/1078252827.db2.gz OTFVZZSOBJEYBQ-YYWXWVFPSA-N 1 0 356.430 2.608 20 5 FFBDRO CCOC(=O)c1cc(C(=O)Nc2ccc3c(c2)C[NH2+]C3)cc([N+](=O)[O-])c1 ZINC001578053713 1078434717 /nfs/dbraw/zinc/43/47/17/1078434717.db2.gz OGNZTHJHIMZJFS-UHFFFAOYSA-N 1 0 355.350 2.627 20 5 FFBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1cccn1C1CC[NH2+]CC1 ZINC001578480834 1078478990 /nfs/dbraw/zinc/47/89/90/1078478990.db2.gz LKOWBVGJSNUTRD-UHFFFAOYSA-N 1 0 356.426 2.636 20 5 FFBDRO O=C([C@@H]1C[NH2+]C[C@H]1Cc1ccccc1)N1CCc2c1cccc2[N+](=O)[O-] ZINC001580804440 1078864981 /nfs/dbraw/zinc/86/49/81/1078864981.db2.gz CPNNKGLFBZNDDJ-NVXWUHKLSA-N 1 0 351.406 2.562 20 5 FFBDRO O=C(c1cc(C(F)(F)F)ccc1[N+](=O)[O-])N1CC[C@]2(C1)CCC[NH2+]C2 ZINC001580811297 1078869540 /nfs/dbraw/zinc/86/95/40/1078869540.db2.gz ONMBHFXXPQIMFO-OAHLLOKOSA-N 1 0 357.332 2.829 20 5 FFBDRO Cc1cc(C(=O)NC2CCC3(CC2)CC[NH+](C)CC3)c(N)c([N+](=O)[O-])c1 ZINC001556767791 1075774135 /nfs/dbraw/zinc/77/41/35/1075774135.db2.gz AQYLTLVOIVNBNM-UHFFFAOYSA-N 1 0 360.458 2.870 20 5 FFBDRO C[NH+]1CCC2(CCC(NC(=O)c3cc(F)cc([N+](=O)[O-])c3N)CC2)CC1 ZINC001556768388 1075774272 /nfs/dbraw/zinc/77/42/72/1075774272.db2.gz YHRWPASAPFHHPJ-UHFFFAOYSA-N 1 0 364.421 2.701 20 5 FFBDRO C[NH+](C)[C@H]1C[C@H](NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1(C)C ZINC001557156177 1075816233 /nfs/dbraw/zinc/81/62/33/1075816233.db2.gz QQAYKQHOEOKQRL-ROUUACIJSA-N 1 0 374.485 2.656 20 5 FFBDRO CC(C)(C(=O)N1CC[NH2+][C@H](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC001557866409 1075902813 /nfs/dbraw/zinc/90/28/13/1075902813.db2.gz UFZWNYHNNKVQTA-GOSISDBHSA-N 1 0 367.449 2.916 20 5 FFBDRO O=C(NC[C@@H]1C[NH+]2CCC1CC2)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001558680199 1076054129 /nfs/dbraw/zinc/05/41/29/1076054129.db2.gz OZJMVUHSFOFCBD-LLVKDONJSA-N 1 0 357.332 2.685 20 5 FFBDRO C[C@@H]1C[N@@H+](C2CC2)CCN1C(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC001558998943 1076112491 /nfs/dbraw/zinc/11/24/91/1076112491.db2.gz VMPMZXZZPMSJMB-GFCCVEGCSA-N 1 0 351.834 2.876 20 5 FFBDRO CC(C)[NH+]1CCC(Nc2c3cc([N+](=O)[O-])ccc3ncc2[N+](=O)[O-])CC1 ZINC001559055689 1076121529 /nfs/dbraw/zinc/12/15/29/1076121529.db2.gz YVQHWAVTNVDPBD-UHFFFAOYSA-N 1 0 359.386 2.758 20 5 FFBDRO CCc1cc(N2CC[C@H]3C[N@H+](C)C[C@H]32)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001559200001 1076134091 /nfs/dbraw/zinc/13/40/91/1076134091.db2.gz JGYRDIFVZMNFSN-WMLDXEAASA-N 1 0 353.426 2.755 20 5 FFBDRO COC(=O)COc1ccc([C@@H](C)[NH2+]CCOc2ccccc2[N+](=O)[O-])cc1 ZINC001559732879 1076186112 /nfs/dbraw/zinc/18/61/12/1076186112.db2.gz VMHSSMBGTSVBKA-CQSZACIVSA-N 1 0 374.393 2.876 20 5 FFBDRO C[C@H](C[NH2+]C1CCC2(CS(=O)(=O)C2)CC1)c1ccccc1[N+](=O)[O-] ZINC001561027039 1076322005 /nfs/dbraw/zinc/32/20/05/1076322005.db2.gz SYBLIAOLTOSUGX-CYBMUJFWSA-N 1 0 352.456 2.645 20 5 FFBDRO CC(C)[C@@H]1C[C@@H]([NH+]2CCCC2)CN1S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC001562011606 1076465940 /nfs/dbraw/zinc/46/59/40/1076465940.db2.gz XPMQIXWLQSEZJA-OCCSQVGLSA-N 1 0 373.500 2.540 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(C)C1CC[NH+](CC)CC1 ZINC001562721775 1076513064 /nfs/dbraw/zinc/51/30/64/1076513064.db2.gz JKKPSCUFNJTYCB-UHFFFAOYSA-N 1 0 350.419 2.942 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCC(C)(C)[NH2+]C(C)(C)C1 ZINC001564424659 1076631579 /nfs/dbraw/zinc/63/15/79/1076631579.db2.gz XOWPGXRCJYJBIG-UHFFFAOYSA-N 1 0 364.446 2.666 20 5 FFBDRO C[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2N)C[N@@H+]1Cc1ccccc1 ZINC001566338700 1076947951 /nfs/dbraw/zinc/94/79/51/1076947951.db2.gz QCLCYRVGQOFNFO-DZGCQCFKSA-N 1 0 354.410 2.570 20 5 FFBDRO C[NH+](C)CCn1ccc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3N)cc21 ZINC001586554084 1079648796 /nfs/dbraw/zinc/64/87/96/1079648796.db2.gz OUGISGQDHJFDIJ-UHFFFAOYSA-N 1 0 367.409 2.946 20 5 FFBDRO CCc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])cc(C)n2)[NH+](C)C)cc1 ZINC001587436108 1079792080 /nfs/dbraw/zinc/79/20/80/1079792080.db2.gz HGPQSQLLGZLYGT-GOSISDBHSA-N 1 0 356.426 2.893 20 5 FFBDRO Nc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC001587535089 1079808682 /nfs/dbraw/zinc/80/86/82/1079808682.db2.gz IBLIFHBVTMQEAE-UHFFFAOYSA-N 1 0 354.410 2.703 20 5 FFBDRO CC(C)(C)OC[C@H]1CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001589198609 1080413643 /nfs/dbraw/zinc/41/36/43/1080413643.db2.gz GWNDBBBLPJKIPD-CQSZACIVSA-N 1 0 360.418 2.554 20 5 FFBDRO CC(C)([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])c1cccc(-c2nn[nH]n2)c1 ZINC001589321503 1080482236 /nfs/dbraw/zinc/48/22/36/1080482236.db2.gz GJAMXXAYJXAJTF-UHFFFAOYSA-N 1 0 356.361 2.939 20 5 FFBDRO COc1cc(CN2CC[C@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000110629684 209324591 /nfs/dbraw/zinc/32/45/91/209324591.db2.gz KXRSIZZXCWNBSR-ZDUSSCGKSA-N 1 0 371.384 2.875 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000093066148 250014658 /nfs/dbraw/zinc/01/46/58/250014658.db2.gz BYGGTEKDUWWMEG-UHFFFAOYSA-N 1 0 370.409 2.645 20 5 FFBDRO COc1cc(C[NH2+]C[C@@H](O)c2ccc(Cl)cc2)c([N+](=O)[O-])cc1O ZINC000101590492 250081273 /nfs/dbraw/zinc/08/12/73/250081273.db2.gz SVUJWIHRUDLPSI-OAHLLOKOSA-N 1 0 352.774 2.786 20 5 FFBDRO COC(=O)[C@@H]1CCC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000104689646 250182566 /nfs/dbraw/zinc/18/25/66/250182566.db2.gz RSKAIKCCCMRBBH-CQSZACIVSA-N 1 0 359.382 2.677 20 5 FFBDRO CC(=O)NC[C@@H]1CCC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000104679021 250182951 /nfs/dbraw/zinc/18/29/51/250182951.db2.gz TWJVMYCBWWNHKB-HNNXBMFYSA-N 1 0 372.425 2.640 20 5 FFBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106891401 250296254 /nfs/dbraw/zinc/29/62/54/250296254.db2.gz AZNBMNWLDZCWHU-NSHDSACASA-N 1 0 373.862 2.543 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000163040951 251167618 /nfs/dbraw/zinc/16/76/18/251167618.db2.gz USMHHODQXUKPHN-UHFFFAOYSA-N 1 0 373.413 2.560 20 5 FFBDRO C[C@@H](CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)C[NH+]1CCCC1 ZINC000272576360 252072040 /nfs/dbraw/zinc/07/20/40/252072040.db2.gz XDSOHUJGQHEPIJ-MAUKXSAKSA-N 1 0 357.458 2.739 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)c1C ZINC000272514335 252055894 /nfs/dbraw/zinc/05/58/94/252055894.db2.gz MXTYZUALSQMCPO-AWEZNQCLSA-N 1 0 369.487 2.562 20 5 FFBDRO C[C@@H]1C[C@H](N[C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C[N@@H+]1C1CC1 ZINC000272568330 252069730 /nfs/dbraw/zinc/06/97/30/252069730.db2.gz VJARECJRWDPNJW-XUWXXGDYSA-N 1 0 355.442 2.633 20 5 FFBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)NCCCCc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000272637983 252088265 /nfs/dbraw/zinc/08/82/65/252088265.db2.gz XXZFFXKZMQFLEP-WMZOPIPTSA-N 1 0 360.458 2.653 20 5 FFBDRO COc1ccc(NC(=O)NCc2cccc(C[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000272813289 252138924 /nfs/dbraw/zinc/13/89/24/252138924.db2.gz JUYYWXROHHGSNM-UHFFFAOYSA-N 1 0 358.398 2.987 20 5 FFBDRO Cc1cc(N2CCC[C@H](Cn3ccnn3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272870638 252152098 /nfs/dbraw/zinc/15/20/98/252152098.db2.gz SLKGIGSENOWKKI-AWEZNQCLSA-N 1 0 352.398 2.960 20 5 FFBDRO C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)C1=CC[N@H+](C)CC1 ZINC000272958177 252175110 /nfs/dbraw/zinc/17/51/10/252175110.db2.gz NGDHFRPWNVUNNM-JTQLQIEISA-N 1 0 368.231 2.738 20 5 FFBDRO O=C(C[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000366649105 512122585 /nfs/dbraw/zinc/12/25/85/512122585.db2.gz CGNREDMQFOLABG-NWDGAFQWSA-N 1 0 353.806 2.545 20 5 FFBDRO C[C@@H]1C[NH+](Cc2ccc(CNc3ncc([N+](=O)[O-])cn3)cc2)C[C@@H](C)O1 ZINC000273181621 252243065 /nfs/dbraw/zinc/24/30/65/252243065.db2.gz OGYWUTUQSDTHDL-ZIAGYGMSSA-N 1 0 357.414 2.606 20 5 FFBDRO COc1cc(C[N@@H+]2CCC[C@@H](C3(C)OCCO3)C2)c([N+](=O)[O-])cc1OC ZINC000273196325 252247626 /nfs/dbraw/zinc/24/76/26/252247626.db2.gz QOCWTWWUSQSPHO-CQSZACIVSA-N 1 0 366.414 2.587 20 5 FFBDRO CCc1cc(N2CC[C@H](C)[S@](=O)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000277219672 256173593 /nfs/dbraw/zinc/17/35/93/256173593.db2.gz RMXKOWKHVTYVLD-WHDAMIPWSA-N 1 0 374.466 2.962 20 5 FFBDRO C[NH+](C)[C@@H]1CCCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000277264221 256178457 /nfs/dbraw/zinc/17/84/57/256178457.db2.gz RESNJCTXPGSWIO-GFCCVEGCSA-N 1 0 354.838 2.603 20 5 FFBDRO O=[N+]([O-])c1ccc2[nH]c(NC3CC[NH+]([C@@H]4CCCC[C@H]4O)CC3)nc2c1 ZINC000278396357 256307881 /nfs/dbraw/zinc/30/78/81/256307881.db2.gz GGWMYPQOROQVKU-IAGOWNOFSA-N 1 0 359.430 2.651 20 5 FFBDRO NC(=O)C1([NH2+]Cc2ccc(Br)c([N+](=O)[O-])c2)CCCCC1 ZINC000278630028 256333082 /nfs/dbraw/zinc/33/30/82/256333082.db2.gz OCZSSZZFIJABFG-UHFFFAOYSA-N 1 0 356.220 2.635 20 5 FFBDRO CC1(C)C[C@H]([NH2+]C[C@H]2COC3(CCOCC3)O2)c2cc([N+](=O)[O-])ccc21 ZINC000279169549 256389376 /nfs/dbraw/zinc/38/93/76/256389376.db2.gz UPVGJNRLOJPYGL-YOEHRIQHSA-N 1 0 362.426 2.829 20 5 FFBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000279266034 256399702 /nfs/dbraw/zinc/39/97/02/256399702.db2.gz JUXOWPVNCDRGDZ-QMTHXVAHSA-N 1 0 357.813 2.728 20 5 FFBDRO O=C(NCC1CC[NH+](C2CC2)CC1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000279040227 256375250 /nfs/dbraw/zinc/37/52/50/256375250.db2.gz LIVOJLAIOLWZSP-UHFFFAOYSA-N 1 0 354.410 2.747 20 5 FFBDRO Cc1cc(OCC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000281622359 256648800 /nfs/dbraw/zinc/64/88/00/256648800.db2.gz LHYMAWULTSMDCT-INIZCTEOSA-N 1 0 361.442 2.759 20 5 FFBDRO CCOc1cc(N2CC[NH+](CCc3cnn(CC)c3)CC2)ccc1[N+](=O)[O-] ZINC000286177963 257024219 /nfs/dbraw/zinc/02/42/19/257024219.db2.gz OZYVXUYAPITURE-UHFFFAOYSA-N 1 0 373.457 2.575 20 5 FFBDRO O=c1[nH]c(N2CCCC[C@@H]([NH+]3CCCC3)C2)nc2ccc([N+](=O)[O-])cc21 ZINC000287172145 257075596 /nfs/dbraw/zinc/07/55/96/257075596.db2.gz GYYKSRZJXRIUET-CQSZACIVSA-N 1 0 357.414 2.698 20 5 FFBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000288169117 257154786 /nfs/dbraw/zinc/15/47/86/257154786.db2.gz AXNHWHDQOJUYDP-KBPBESRZSA-N 1 0 354.410 2.842 20 5 FFBDRO COc1cc[nH+]c(N2CCN(c3ccc([N+](=O)[O-])c(C(C)=O)c3)CC2)c1 ZINC000288119556 257149803 /nfs/dbraw/zinc/14/98/03/257149803.db2.gz XWKJWOCHQNSLKD-UHFFFAOYSA-N 1 0 356.382 2.528 20 5 FFBDRO CC(C)(C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)OCCO ZINC000288545998 257203000 /nfs/dbraw/zinc/20/30/00/257203000.db2.gz XFXAYQRFXFEAIS-UHFFFAOYSA-N 1 0 351.428 2.595 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000289314389 257274073 /nfs/dbraw/zinc/27/40/73/257274073.db2.gz BOBCUFSHKZFGLX-UYAOXDASSA-N 1 0 368.437 2.877 20 5 FFBDRO CN1CC[NH+](CC2CCN(Cc3cc([N+](=O)[O-])ccc3Cl)CC2)CC1 ZINC000289376609 257277409 /nfs/dbraw/zinc/27/74/09/257277409.db2.gz BVTIILCYWBSKFJ-UHFFFAOYSA-N 1 0 366.893 2.708 20 5 FFBDRO Cc1nc2ccccn2c(=O)c1CC[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000289404264 257279282 /nfs/dbraw/zinc/27/92/82/257279282.db2.gz OMCAXLNZOGYESL-UHFFFAOYSA-N 1 0 366.421 2.628 20 5 FFBDRO CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000289478014 257283300 /nfs/dbraw/zinc/28/33/00/257283300.db2.gz BNLFGXWTLBGZNX-QZTJIDSGSA-N 1 0 361.442 2.599 20 5 FFBDRO Cc1n[nH]cc1C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289984429 257309817 /nfs/dbraw/zinc/30/98/17/257309817.db2.gz RXYQMBRYKMFRPS-UHFFFAOYSA-N 1 0 372.166 2.521 20 5 FFBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@H](n2cc(Cl)cn2)C1 ZINC000290063371 257313447 /nfs/dbraw/zinc/31/34/47/257313447.db2.gz XWJPXICSTITISX-NHYWBVRUSA-N 1 0 363.805 2.719 20 5 FFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000290180889 257319194 /nfs/dbraw/zinc/31/91/94/257319194.db2.gz PPIWCKROECYHMF-ZFWWWQNUSA-N 1 0 363.483 2.924 20 5 FFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@@H]2CCCS(=O)(=O)C2)o1 ZINC000290231901 257321577 /nfs/dbraw/zinc/32/15/77/257321577.db2.gz YNNFZZQOWHBYDJ-ZDUSSCGKSA-N 1 0 364.423 2.769 20 5 FFBDRO Cc1ccc([C@@H](CNc2nccc(C(N)=O)c2[N+](=O)[O-])[NH+]2CCCC2)cc1 ZINC000290672185 257351756 /nfs/dbraw/zinc/35/17/56/257351756.db2.gz RHXQDOHPLMVYTI-MRXNPFEDSA-N 1 0 369.425 2.646 20 5 FFBDRO Cc1cc(Sc2nnc(C3CC[NH2+]CC3)n2C)c(F)cc1[N+](=O)[O-] ZINC000292533213 257504533 /nfs/dbraw/zinc/50/45/33/257504533.db2.gz HWLUZDPZSZHIJZ-UHFFFAOYSA-N 1 0 351.407 2.789 20 5 FFBDRO C[C@@H]([NH2+]C1CCN(C(=O)c2ccoc2)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293889405 257565801 /nfs/dbraw/zinc/56/58/01/257565801.db2.gz VVJLXCODXOXEOO-GFCCVEGCSA-N 1 0 358.398 2.725 20 5 FFBDRO CC[C@@H](NC(=O)Nc1ccnn1CC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000297334112 257818542 /nfs/dbraw/zinc/81/85/42/257818542.db2.gz JDUIQJMRBXOSCM-OAHLLOKOSA-N 1 0 360.418 2.626 20 5 FFBDRO Cc1cc(NCC(=O)N2CCCCC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301064795 258022771 /nfs/dbraw/zinc/02/27/71/258022771.db2.gz AIRIEPNGXUVUSD-UHFFFAOYSA-N 1 0 355.398 2.785 20 5 FFBDRO Cc1nn(C)c(NCc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000301287972 258040020 /nfs/dbraw/zinc/04/00/20/258040020.db2.gz PBYZLMPMXCINGM-KBPBESRZSA-N 1 0 373.457 2.858 20 5 FFBDRO Cc1cc(N(C)Cc2cnc(N(C)C)nc2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302100761 258087945 /nfs/dbraw/zinc/08/79/45/258087945.db2.gz UXUPUGBXGZSYLR-UHFFFAOYSA-N 1 0 352.398 2.944 20 5 FFBDRO Cc1cc(NC(=O)CN(C)c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)no1 ZINC000302138751 258090348 /nfs/dbraw/zinc/09/03/48/258090348.db2.gz DXCPVLCXNWUGPU-UHFFFAOYSA-N 1 0 355.354 2.823 20 5 FFBDRO CN1CC[NH+](CCC(C)(C)Nc2ccc([N+](=O)[O-])c3cnccc23)CC1 ZINC000302252948 258098115 /nfs/dbraw/zinc/09/81/15/258098115.db2.gz NPADJKPFJGLIIF-UHFFFAOYSA-N 1 0 357.458 2.971 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1N1CC[NH+](CCc3ccccc3)CC1)CCN2 ZINC000302481557 258103587 /nfs/dbraw/zinc/10/35/87/258103587.db2.gz WQGLEQYELKVVIN-UHFFFAOYSA-N 1 0 352.438 2.928 20 5 FFBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc([N+](=O)[O-])c1Br ZINC000317301722 258115874 /nfs/dbraw/zinc/11/58/74/258115874.db2.gz MONWWBKHWFMQLP-GHMZBOCLSA-N 1 0 368.231 2.714 20 5 FFBDRO Cc1ccc(N[C@H](C)C[NH+]2CCN(c3ccccn3)CC2)c([N+](=O)[O-])c1 ZINC000301459206 258050909 /nfs/dbraw/zinc/05/09/09/258050909.db2.gz DCGBPBPEYDJIQV-MRXNPFEDSA-N 1 0 355.442 2.921 20 5 FFBDRO C[NH+](C)C1CCN(CCNc2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000301684380 258062634 /nfs/dbraw/zinc/06/26/34/258062634.db2.gz TUPHYMABVREPLG-UHFFFAOYSA-N 1 0 371.279 2.795 20 5 FFBDRO Cc1cc(N[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)ncc1[N+](=O)[O-] ZINC000301719977 258064707 /nfs/dbraw/zinc/06/47/07/258064707.db2.gz MDEMIHVKTZXYHK-IRXDYDNUSA-N 1 0 356.426 2.593 20 5 FFBDRO Cc1nc(N[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000301736147 258065842 /nfs/dbraw/zinc/06/58/42/258065842.db2.gz VCAKYMNXXNUSGO-SJORKVTESA-N 1 0 356.426 2.593 20 5 FFBDRO CC(C)(C)Oc1cc(N2CC[NH+](C[C@@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000301868632 258071818 /nfs/dbraw/zinc/07/18/18/258071818.db2.gz FBGZZPDAIDOCPQ-HNNXBMFYSA-N 1 0 363.458 2.931 20 5 FFBDRO CCc1ccc([C@@H](CNc2ccc3ncc([N+](=O)[O-])n3n2)[NH+](C)C)cc1 ZINC000301940916 258076715 /nfs/dbraw/zinc/07/67/15/258076715.db2.gz UIZSNNNQGXXDAO-OAHLLOKOSA-N 1 0 354.414 2.915 20 5 FFBDRO CC[N@@H+]1C[C@@H](C)N(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000330554594 258165579 /nfs/dbraw/zinc/16/55/79/258165579.db2.gz GIDZHFJTJWHNGW-VXGBXAGGSA-N 1 0 354.838 2.601 20 5 FFBDRO CC[N@@H+]1C[C@H](C)N(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000330587741 258166321 /nfs/dbraw/zinc/16/63/21/258166321.db2.gz UATMFTKVUHIFKJ-RYUDHWBXSA-N 1 0 354.838 2.601 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000332404806 258229081 /nfs/dbraw/zinc/22/90/81/258229081.db2.gz XHJVBGFAVUUISV-UHFFFAOYSA-N 1 0 361.442 2.940 20 5 FFBDRO C[C@H]1CCCN(c2ccc(C(=O)N3CC[C@H]([NH+](C)C)C3)cc2[N+](=O)[O-])C1 ZINC000332431009 258230284 /nfs/dbraw/zinc/23/02/84/258230284.db2.gz WSEFSLSJHUGMPS-HOCLYGCPSA-N 1 0 360.458 2.607 20 5 FFBDRO C[N@@H+]1CCCC12CCN(c1ccc(C(=O)NC3CC3)cc1[N+](=O)[O-])CC2 ZINC000375346333 512278535 /nfs/dbraw/zinc/27/85/35/512278535.db2.gz WVEJYSBNGPFTID-UHFFFAOYSA-N 1 0 358.442 2.552 20 5 FFBDRO C[NH+](C)C1(CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CCCCC1 ZINC000008050554 506617604 /nfs/dbraw/zinc/61/76/04/506617604.db2.gz FRDPYQDTKFQJFU-UHFFFAOYSA-N 1 0 355.460 2.675 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000056066227 506921712 /nfs/dbraw/zinc/92/17/12/506921712.db2.gz MKEPMRJJLXFLTP-UHFFFAOYSA-N 1 0 369.487 2.694 20 5 FFBDRO COc1cccc(CNC(=O)[C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000056196406 506959978 /nfs/dbraw/zinc/95/99/78/506959978.db2.gz BVKBUSTUIJJHCH-KBPBESRZSA-N 1 0 357.410 2.959 20 5 FFBDRO COc1ccccc1[C@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]1)[NH+]1CCCCC1 ZINC000056341952 506991034 /nfs/dbraw/zinc/99/10/34/506991034.db2.gz XAWXRBQYWOXFIQ-KRWDZBQOSA-N 1 0 372.425 2.889 20 5 FFBDRO COc1ccc(CC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000067792417 507010964 /nfs/dbraw/zinc/01/09/64/507010964.db2.gz UGYVNRSQVZNWQE-INIZCTEOSA-N 1 0 373.409 2.692 20 5 FFBDRO COc1ccc(CC(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000067907171 507049042 /nfs/dbraw/zinc/04/90/42/507049042.db2.gz WHVQODRMZFQEAK-HUUCEWRRSA-N 1 0 363.458 2.630 20 5 FFBDRO COc1ccc(CC(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000067911402 507050042 /nfs/dbraw/zinc/05/00/42/507050042.db2.gz LITIUQKIWQQVPY-SOUVJXGZSA-N 1 0 363.458 2.629 20 5 FFBDRO C[C@H](CNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)[NH+](C)C ZINC000068064456 507097534 /nfs/dbraw/zinc/09/75/34/507097534.db2.gz FGPWYSLFTQNOTM-CQSZACIVSA-N 1 0 356.426 2.887 20 5 FFBDRO C[NH+](C)[C@@H](CNC(=O)NCc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000056950153 507129974 /nfs/dbraw/zinc/12/99/74/507129974.db2.gz QBTCFGDKCIPENN-KRWDZBQOSA-N 1 0 360.389 2.836 20 5 FFBDRO C[C@@H](CNC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000068353808 507198633 /nfs/dbraw/zinc/19/86/33/507198633.db2.gz ASUBDIVQASDFHE-STQMWFEESA-N 1 0 369.849 2.864 20 5 FFBDRO O=C(CC[NH+]1CCC([C@@H]2CCOC2)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000373427514 512325305 /nfs/dbraw/zinc/32/53/05/512325305.db2.gz TXGFINTYXWKIGZ-CQSZACIVSA-N 1 0 365.405 2.811 20 5 FFBDRO CCOc1cc(C(=O)NCC[N@@H+]2CCCC[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000046859889 507210285 /nfs/dbraw/zinc/21/02/85/507210285.db2.gz XODXREMPIKAWDL-ZDUSSCGKSA-N 1 0 365.430 2.606 20 5 FFBDRO C[C@@H](NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cn(-c2ccccc2)nn1 ZINC000367074975 512325348 /nfs/dbraw/zinc/32/53/48/512325348.db2.gz RABRUNJKXIIRCR-GFCCVEGCSA-N 1 0 368.353 2.935 20 5 FFBDRO COc1cccc([C@@H](CNC(=O)Cc2ccccc2[N+](=O)[O-])[NH+](C)C)c1 ZINC000057288433 507230445 /nfs/dbraw/zinc/23/04/45/507230445.db2.gz CKILBAGVMUVYKP-GOSISDBHSA-N 1 0 357.410 2.565 20 5 FFBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CCC([NH+]2CCCC2)CC1 ZINC000068467913 507242747 /nfs/dbraw/zinc/24/27/47/507242747.db2.gz RMFTVWIAPODIKS-UHFFFAOYSA-N 1 0 356.426 2.636 20 5 FFBDRO O=C(CN1CCC[N@H+](Cc2ccccc2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000022421369 507292522 /nfs/dbraw/zinc/29/25/22/507292522.db2.gz DKNHITYDFZWVCN-UHFFFAOYSA-N 1 0 368.437 2.741 20 5 FFBDRO C[NH+](C)C[C@@H](O)COc1ccc(NC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000069120409 507414114 /nfs/dbraw/zinc/41/41/14/507414114.db2.gz YNWZZXQPUBMTSW-MRXNPFEDSA-N 1 0 374.397 2.540 20 5 FFBDRO C[C@H](CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)C[NH+]1CCCC1 ZINC000047920010 507415591 /nfs/dbraw/zinc/41/55/91/507415591.db2.gz RYDQTQALDIJCMC-MRXNPFEDSA-N 1 0 374.485 2.659 20 5 FFBDRO C[NH+](C)[C@H](CNC(=O)NCCOc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000069149473 507421880 /nfs/dbraw/zinc/42/18/80/507421880.db2.gz FPTJSXQTWYQUME-GOSISDBHSA-N 1 0 372.425 2.576 20 5 FFBDRO O=C(c1cc2ccccc2c2cccnc12)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000377586990 512340770 /nfs/dbraw/zinc/34/07/70/512340770.db2.gz LBUBTCUESVJQAF-QGZVFWFLSA-N 1 0 360.461 2.508 20 5 FFBDRO C[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCc2ccccc2C1 ZINC000025939328 507546326 /nfs/dbraw/zinc/54/63/26/507546326.db2.gz LLVJLHPSALIHPX-OAHLLOKOSA-N 1 0 353.422 2.700 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CCCOc3ccc(F)cc3)CC2)cn1 ZINC000026487332 507592554 /nfs/dbraw/zinc/59/25/54/507592554.db2.gz NIEQEGMBIZIRQY-UHFFFAOYSA-N 1 0 360.389 2.720 20 5 FFBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000063518997 507741894 /nfs/dbraw/zinc/74/18/94/507741894.db2.gz SOCATABYVUPLCN-AWEZNQCLSA-N 1 0 369.487 2.556 20 5 FFBDRO C[NH+](C)[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)C1CCCCC1 ZINC000063803956 507772151 /nfs/dbraw/zinc/77/21/51/507772151.db2.gz KDIYIWFMLLFEIP-OAHLLOKOSA-N 1 0 352.410 2.556 20 5 FFBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000064312890 507789515 /nfs/dbraw/zinc/78/95/15/507789515.db2.gz SXJYBPSSZTUDMD-OWCLPIDISA-N 1 0 363.458 2.846 20 5 FFBDRO CC(C)[N@H+](C)CC1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000052488264 507810683 /nfs/dbraw/zinc/81/06/83/507810683.db2.gz BWXXQQLMKWQWMH-UHFFFAOYSA-N 1 0 369.487 2.555 20 5 FFBDRO Cc1nn(C)c(Nc2cccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)c2)c1[N+](=O)[O-] ZINC000077983156 507823716 /nfs/dbraw/zinc/82/37/16/507823716.db2.gz WMGVONHMGYFOMB-CHWSQXEVSA-N 1 0 359.430 2.990 20 5 FFBDRO CC(C)(C)[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1 ZINC000072580494 507827669 /nfs/dbraw/zinc/82/76/69/507827669.db2.gz BDVJWWKHSGZKRW-JKSUJKDBSA-N 1 0 350.394 2.668 20 5 FFBDRO C[N@@H+]1CCC[C@@H](CNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000108333330 507887181 /nfs/dbraw/zinc/88/71/81/507887181.db2.gz JLSSEZRXECCMGJ-LBPRGKRZSA-N 1 0 360.439 2.790 20 5 FFBDRO CC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H](C)Cc1ccc(OC)cc1 ZINC000090548632 507926862 /nfs/dbraw/zinc/92/68/62/507926862.db2.gz SEDFHBGOXAIXCU-HNNXBMFYSA-N 1 0 359.426 2.718 20 5 FFBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000090590330 507929181 /nfs/dbraw/zinc/92/91/81/507929181.db2.gz KPTQQLBHZCGUDB-INIZCTEOSA-N 1 0 363.801 2.563 20 5 FFBDRO CCCc1n[nH]c(C(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000109620138 507971872 /nfs/dbraw/zinc/97/18/72/507971872.db2.gz JVWVBPJEHMBATF-SJCJKPOMSA-N 1 0 351.451 2.511 20 5 FFBDRO C[C@@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000079804446 508002521 /nfs/dbraw/zinc/00/25/21/508002521.db2.gz YXSHBZFLEHUGJL-VIFPVBQESA-N 1 0 356.220 2.570 20 5 FFBDRO COc1ccc(OC)c(C[N@H+](CCO)CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000111271562 508085284 /nfs/dbraw/zinc/08/52/84/508085284.db2.gz GKMOVUWVMCKDPS-UHFFFAOYSA-N 1 0 360.410 2.649 20 5 FFBDRO C[C@H](CCO)[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000093303084 508136755 /nfs/dbraw/zinc/13/67/55/508136755.db2.gz XTZBHVIPWZCHNU-MRXNPFEDSA-N 1 0 371.437 2.831 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000075942998 508145347 /nfs/dbraw/zinc/14/53/47/508145347.db2.gz FUYUVSNXVSBRFA-UHFFFAOYSA-N 1 0 358.398 2.987 20 5 FFBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000081364568 508167734 /nfs/dbraw/zinc/16/77/34/508167734.db2.gz IQQQRXIJBZWLAF-OAHLLOKOSA-N 1 0 371.441 2.584 20 5 FFBDRO C[C@@H]1C[NH+](CCCCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@@H](C)O1 ZINC000083028555 508232997 /nfs/dbraw/zinc/23/29/97/508232997.db2.gz GHWFALIZIDJAHT-CHWSQXEVSA-N 1 0 369.849 2.867 20 5 FFBDRO CCc1ccc(C(=O)NCCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1[N+](=O)[O-] ZINC000085457642 508309420 /nfs/dbraw/zinc/30/94/20/508309420.db2.gz LXUVWFSXHJEKAM-HUUCEWRRSA-N 1 0 363.458 2.776 20 5 FFBDRO C[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@@H]1CCc2ccccc2C1 ZINC000114489989 508320985 /nfs/dbraw/zinc/32/09/85/508320985.db2.gz QRCTXVQINQWKNM-GOSISDBHSA-N 1 0 365.433 2.973 20 5 FFBDRO CCCN(CC[NH+](C)C)C(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000104531364 508338130 /nfs/dbraw/zinc/33/81/30/508338130.db2.gz MQMVBDANUHVQTI-LBPRGKRZSA-N 1 0 357.838 2.816 20 5 FFBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000087135537 508339065 /nfs/dbraw/zinc/33/90/65/508339065.db2.gz ARCLBQHASRDIHD-LSDHHAIUSA-N 1 0 360.458 2.783 20 5 FFBDRO C[NH+](C)CCN(Cc1ccco1)C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000088250827 508361566 /nfs/dbraw/zinc/36/15/66/508361566.db2.gz LECMBHUYXXRALQ-UHFFFAOYSA-N 1 0 360.414 2.580 20 5 FFBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])c(C)s2)[C@H](C)C1 ZINC000115270943 508380051 /nfs/dbraw/zinc/38/00/51/508380051.db2.gz MJGLHZHQYKHUHG-OCCSQVGLSA-N 1 0 369.487 2.832 20 5 FFBDRO CC1CCC([NH+]2CCN(C(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)CC2)CC1 ZINC000115481143 508396653 /nfs/dbraw/zinc/39/66/53/508396653.db2.gz YFEWUTDNNLYKJA-UHFFFAOYSA-N 1 0 371.441 2.808 20 5 FFBDRO CC(C)([NH3+])c1noc(COc2c(Br)cccc2[N+](=O)[O-])n1 ZINC000133531733 508412823 /nfs/dbraw/zinc/41/28/23/508412823.db2.gz LIZJYOZFMTTXKQ-UHFFFAOYSA-N 1 0 357.164 2.513 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)CSc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000127335532 508434563 /nfs/dbraw/zinc/43/45/63/508434563.db2.gz SNTVBOPHMPAGNZ-ZIAGYGMSSA-N 1 0 351.472 2.876 20 5 FFBDRO O=C1NCCN1C1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000127626300 508478538 /nfs/dbraw/zinc/47/85/38/508478538.db2.gz GRXIPJHYLGKOJO-UHFFFAOYSA-N 1 0 370.409 2.844 20 5 FFBDRO Cc1nn(C)c(C(=O)Nc2cc(C[NH+]3CCCC3)ccc2C)c1[N+](=O)[O-] ZINC000156818330 508481080 /nfs/dbraw/zinc/48/10/80/508481080.db2.gz JICKJFHREFDLOX-UHFFFAOYSA-N 1 0 357.414 2.793 20 5 FFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCC1CC[NH+](C)CC1 ZINC000116490352 508520811 /nfs/dbraw/zinc/52/08/11/508520811.db2.gz SMSCPUDTKSKPGC-CYBMUJFWSA-N 1 0 351.472 2.924 20 5 FFBDRO COc1ccc(-c2ccc(C[NH2+][C@@H]3CCN(C(C)=O)C3)o2)c([N+](=O)[O-])c1 ZINC000152946424 508533364 /nfs/dbraw/zinc/53/33/64/508533364.db2.gz NEBUPBDBJCCBFV-CYBMUJFWSA-N 1 0 359.382 2.574 20 5 FFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157309181 508550634 /nfs/dbraw/zinc/55/06/34/508550634.db2.gz WDUABJKVOZKWDQ-WBVHZDCISA-N 1 0 360.458 2.872 20 5 FFBDRO O=[N+]([O-])c1cc(I)ccc1OCC[C@H]1CC[NH2+]C1 ZINC000122556175 508553637 /nfs/dbraw/zinc/55/36/37/508553637.db2.gz HYGXGHMAQLMLDH-SECBINFHSA-N 1 0 362.167 2.578 20 5 FFBDRO O=C(CN1CCc2c(cccc2[N+](=O)[O-])C1)NCC1(c2ccccc2)CC1 ZINC000153344619 508573655 /nfs/dbraw/zinc/57/36/55/508573655.db2.gz AWSUJGVLTSUJML-UHFFFAOYSA-N 1 0 365.433 2.801 20 5 FFBDRO CC1(C)CC(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC(C)(C)[NH2+]1 ZINC000128372386 508584158 /nfs/dbraw/zinc/58/41/58/508584158.db2.gz ULCTVASUBQGOEL-UHFFFAOYSA-N 1 0 371.441 2.820 20 5 FFBDRO CC[C@H](O)[C@@H]1CCCC[N@@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000117341315 508593559 /nfs/dbraw/zinc/59/35/59/508593559.db2.gz LOERFPSHDCWJEX-HOCLYGCPSA-N 1 0 363.414 2.518 20 5 FFBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000122861081 508597540 /nfs/dbraw/zinc/59/75/40/508597540.db2.gz JUCQJPLVUUECLW-NSHDSACASA-N 1 0 370.247 2.771 20 5 FFBDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000153749916 508640787 /nfs/dbraw/zinc/64/07/87/508640787.db2.gz GHDNRFVBNOVTJL-IBGZPJMESA-N 1 0 374.485 2.610 20 5 FFBDRO C[C@H](CC(=O)NCCc1ccccc1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000123312879 508667024 /nfs/dbraw/zinc/66/70/24/508667024.db2.gz RWWXJPBTJHFMRX-MRXNPFEDSA-N 1 0 355.438 2.864 20 5 FFBDRO C[C@H]1C[C@H](N(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1C ZINC000123492980 508695029 /nfs/dbraw/zinc/69/50/29/508695029.db2.gz UWPVULNMSRNPJZ-NWDGAFQWSA-N 1 0 354.838 2.601 20 5 FFBDRO [NH3+][C@@H]1CCCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000158522127 508716177 /nfs/dbraw/zinc/71/61/77/508716177.db2.gz ICBOOUFBRHDGNL-MRXNPFEDSA-N 1 0 354.410 2.770 20 5 FFBDRO C[C@H]1C[C@H](NC(=O)COc2cccc([N+](=O)[O-])c2)C[N@@H+]1Cc1ccccc1 ZINC000137460075 508757015 /nfs/dbraw/zinc/75/70/15/508757015.db2.gz MYFGUFBVIRJSJQ-RDJZCZTQSA-N 1 0 369.421 2.753 20 5 FFBDRO C[C@@H]1C[C@@H](NC(=O)COc2cccc([N+](=O)[O-])c2)C[N@@H+]1Cc1ccccc1 ZINC000137460136 508757060 /nfs/dbraw/zinc/75/70/60/508757060.db2.gz MYFGUFBVIRJSJQ-NVXWUHKLSA-N 1 0 369.421 2.753 20 5 FFBDRO CCCc1n[nH]c(C(=O)N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000137507003 508757950 /nfs/dbraw/zinc/75/79/50/508757950.db2.gz QWMWUBHEIMJBLQ-DZGCQCFKSA-N 1 0 371.441 2.663 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)NC[C@@H]3CCC[NH2+]C3)cc2[N+](=O)[O-])C1 ZINC000129798759 508767506 /nfs/dbraw/zinc/76/75/06/508767506.db2.gz QSQVZGGVEVXSEM-HUUCEWRRSA-N 1 0 360.458 2.561 20 5 FFBDRO C[N@@H+]1CCCN(CCC[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC000130111547 508796112 /nfs/dbraw/zinc/79/61/12/508796112.db2.gz YSILAMZJZXBKFV-UYAOXDASSA-N 1 0 374.529 2.923 20 5 FFBDRO COc1cccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])c(OC)c2)[NH+](C)C)c1 ZINC000159236415 508812099 /nfs/dbraw/zinc/81/20/99/508812099.db2.gz ALTIJWPKNSOJJU-QGZVFWFLSA-N 1 0 373.409 2.645 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)C1Cc2ccccc2C1 ZINC000141272322 508813656 /nfs/dbraw/zinc/81/36/56/508813656.db2.gz YHLZXNORRWRYOA-UHFFFAOYSA-N 1 0 355.394 2.641 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CCn3cnnc3C3CC3)cs2)c1 ZINC000124319291 508815238 /nfs/dbraw/zinc/81/52/38/508815238.db2.gz QPOYYPDQLOPIOL-UHFFFAOYSA-N 1 0 370.438 2.977 20 5 FFBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000369458943 512419359 /nfs/dbraw/zinc/41/93/59/512419359.db2.gz SNGWOXXRYFTORW-KGLIPLIRSA-N 1 0 367.833 2.760 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[NH+](C2CCCCC2)CC1 ZINC000141870553 508819725 /nfs/dbraw/zinc/81/97/25/508819725.db2.gz RMZXQCFXBFUXGQ-UHFFFAOYSA-N 1 0 360.458 2.792 20 5 FFBDRO CCOC(=O)CC[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)CC1CC1 ZINC000143946223 508835767 /nfs/dbraw/zinc/83/57/67/508835767.db2.gz AZAOTWDHBAHZNM-UHFFFAOYSA-N 1 0 364.398 2.627 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000119833383 508872968 /nfs/dbraw/zinc/87/29/68/508872968.db2.gz HUBOQGXXFKTORG-KDOFPFPSSA-N 1 0 369.421 2.854 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000119852106 508876374 /nfs/dbraw/zinc/87/63/74/508876374.db2.gz ZUKVLCUDLWACMZ-GASCZTMLSA-N 1 0 364.446 2.832 20 5 FFBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N[C@@](C)(C[NH3+])C3CC3)cc2[N+](=O)[O-])C1 ZINC000154968011 508894014 /nfs/dbraw/zinc/89/40/14/508894014.db2.gz MFLCHOUYZDRKLI-JZKQVHKSSA-N 1 0 374.485 2.934 20 5 FFBDRO Cc1c(NC(=O)[C@H](C)N2CC[C@H](C[NH+]3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000150804762 508896474 /nfs/dbraw/zinc/89/64/74/508896474.db2.gz NNZXVADMAXOUMG-JKSUJKDBSA-N 1 0 360.458 2.648 20 5 FFBDRO CCOC(=O)c1ccnc(N2CCC[C@@H]([NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC000150882981 508915042 /nfs/dbraw/zinc/91/50/42/508915042.db2.gz GADGUNKPKMRAAM-CQSZACIVSA-N 1 0 362.430 2.621 20 5 FFBDRO O=C(CC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)N1CCc2sccc2C1 ZINC000131347091 508919903 /nfs/dbraw/zinc/91/99/03/508919903.db2.gz RLFAOJQAVVSADB-UHFFFAOYSA-N 1 0 371.462 2.989 20 5 FFBDRO Cc1ccc(S(=O)(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000160160256 508947912 /nfs/dbraw/zinc/94/79/12/508947912.db2.gz RIWAZLZFXCHCOD-HNNXBMFYSA-N 1 0 367.471 2.542 20 5 FFBDRO CC[NH+]1CCC(NC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000155216410 508950425 /nfs/dbraw/zinc/95/04/25/508950425.db2.gz KVVUSOVBKQZELA-UHFFFAOYSA-N 1 0 371.235 2.963 20 5 FFBDRO Cc1nc2ccccn2c1C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000160491247 508993742 /nfs/dbraw/zinc/99/37/42/508993742.db2.gz AXKFGELEDJTTDS-AWEZNQCLSA-N 1 0 352.398 2.632 20 5 FFBDRO CC[N@@H+]1CCCN(C(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)CC1 ZINC000120727587 509053695 /nfs/dbraw/zinc/05/36/95/509053695.db2.gz LQZDMMFQWKIWPY-UHFFFAOYSA-N 1 0 370.247 2.834 20 5 FFBDRO CCCN(CC[NH+](CC)CC)C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000120796231 509065962 /nfs/dbraw/zinc/06/59/62/509065962.db2.gz RLNKCAADGFZABB-UHFFFAOYSA-N 1 0 351.403 2.518 20 5 FFBDRO O=[N+]([O-])c1ccn(C2CC[NH+](CCN3CCCc4ccccc43)CC2)n1 ZINC000369493912 512436440 /nfs/dbraw/zinc/43/64/40/512436440.db2.gz MQLROQFYVSZIQS-UHFFFAOYSA-N 1 0 355.442 2.881 20 5 FFBDRO O=[N+]([O-])c1ccc(NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c([N+](=O)[O-])c1 ZINC000132975248 509098749 /nfs/dbraw/zinc/09/87/49/509098749.db2.gz DVRKHSPIPJGNCH-WBVHZDCISA-N 1 0 364.402 2.683 20 5 FFBDRO O=[N+]([O-])c1ccc2oc(CN3CCC([C@@H](O)C(F)(F)F)CC3)nc2c1 ZINC000161327759 509102621 /nfs/dbraw/zinc/10/26/21/509102621.db2.gz KUPBJJOPNKVFOJ-CQSZACIVSA-N 1 0 359.304 2.871 20 5 FFBDRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000161479021 509120654 /nfs/dbraw/zinc/12/06/54/509120654.db2.gz UGSUHJOCLXUPLI-OLZOCXBDSA-N 1 0 363.439 2.915 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N[C@@H]3CCC[C@@H]([NH3+])C3)cc2[N+](=O)[O-])CC1 ZINC000162237276 509181239 /nfs/dbraw/zinc/18/12/39/509181239.db2.gz QZROQTLWOSXNIP-HZPDHXFCSA-N 1 0 360.458 2.831 20 5 FFBDRO C[N@@H+]1CC[C@@H](NC(=O)COc2cccc([N+](=O)[O-])c2)[C@H]1c1ccccc1 ZINC000248055180 509226912 /nfs/dbraw/zinc/22/69/12/509226912.db2.gz OHISILKNUUWCOI-IEBWSBKVSA-N 1 0 355.394 2.535 20 5 FFBDRO C[C@H](Nc1ccc(C(=O)N(C)[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000179050715 509240147 /nfs/dbraw/zinc/24/01/47/509240147.db2.gz KXBLPUMILIWVQF-ZFWWWQNUSA-N 1 0 369.425 2.597 20 5 FFBDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1cccc(F)c1F ZINC000182456035 509247828 /nfs/dbraw/zinc/24/78/28/509247828.db2.gz OOLGKIZQQUDTCU-VXGBXAGGSA-N 1 0 352.337 2.964 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000266959812 509278349 /nfs/dbraw/zinc/27/83/49/509278349.db2.gz WOOLULUMSVHYMB-CYBMUJFWSA-N 1 0 373.413 2.535 20 5 FFBDRO C[N@@H+]1CCCN(c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3N)cc2)CC1 ZINC000176036401 509286592 /nfs/dbraw/zinc/28/65/92/509286592.db2.gz MEEDCIWEORUCHA-UHFFFAOYSA-N 1 0 369.425 2.571 20 5 FFBDRO CC(=O)Nc1cccc([C@@H](C)[NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000182542551 509294440 /nfs/dbraw/zinc/29/44/40/509294440.db2.gz GBABQKXDZRMMHR-CYBMUJFWSA-N 1 0 370.409 2.867 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000222466919 509317203 /nfs/dbraw/zinc/31/72/03/509317203.db2.gz AUWZGJIEOSNVPK-UHFFFAOYSA-N 1 0 369.421 2.998 20 5 FFBDRO CCc1n[nH]c(C(=O)N2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000185719534 509322763 /nfs/dbraw/zinc/32/27/63/509322763.db2.gz CXMZWUNPSHEECM-AWEZNQCLSA-N 1 0 371.441 2.617 20 5 FFBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000192090684 509341120 /nfs/dbraw/zinc/34/11/20/509341120.db2.gz PZYWWZGUIYBSRG-HUUCEWRRSA-N 1 0 354.769 2.704 20 5 FFBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000182655698 509353790 /nfs/dbraw/zinc/35/37/90/509353790.db2.gz PEHRKCYPBAYTRC-LLVKDONJSA-N 1 0 370.247 2.962 20 5 FFBDRO COCCCNC(=O)C1CC[NH+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000182683253 509370169 /nfs/dbraw/zinc/37/01/69/509370169.db2.gz TXJMFPPITQKRQR-HNNXBMFYSA-N 1 0 363.458 2.829 20 5 FFBDRO CCOc1cc(C[N@H+](C)CCn2ccc([N+](=O)[O-])n2)ccc1OC(F)F ZINC000176207031 509378188 /nfs/dbraw/zinc/37/81/88/509378188.db2.gz RFVXGAPWSVSWNZ-UHFFFAOYSA-N 1 0 370.356 2.923 20 5 FFBDRO C[N@H+](CCCc1cc(-c2ccccc2)n[nH]1)CCn1ccc([N+](=O)[O-])n1 ZINC000176224248 509388089 /nfs/dbraw/zinc/38/80/89/509388089.db2.gz XSJOCOBLYLJEIO-UHFFFAOYSA-N 1 0 354.414 2.746 20 5 FFBDRO O=[N+]([O-])c1cnc(N2CCC[C@@H]2C[NH+]2CCCC2)c(Br)c1 ZINC000189074564 509400785 /nfs/dbraw/zinc/40/07/85/509400785.db2.gz HUGZVGXTWIBAMF-LLVKDONJSA-N 1 0 355.236 2.817 20 5 FFBDRO C[NH+](C)C1CCN(CCNc2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000267229597 509403271 /nfs/dbraw/zinc/40/32/71/509403271.db2.gz VJDUTAVFDNTCGO-UHFFFAOYSA-N 1 0 358.389 2.634 20 5 FFBDRO O=[N+]([O-])c1cnc(N2CC[C@@H](C[NH+]3CCCC3)C2)c(Br)c1 ZINC000267250192 509411029 /nfs/dbraw/zinc/41/10/29/509411029.db2.gz ODSVYDAJOPDBAS-NSHDSACASA-N 1 0 355.236 2.674 20 5 FFBDRO CCOc1ccc([C@@H](C)[NH2+]CCN2CCOC(C)(C)C2)cc1[N+](=O)[O-] ZINC000179420341 509434612 /nfs/dbraw/zinc/43/46/12/509434612.db2.gz PNVDOJIVEALWDQ-CQSZACIVSA-N 1 0 351.447 2.755 20 5 FFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000248701138 509442651 /nfs/dbraw/zinc/44/26/51/509442651.db2.gz AFZKVOPMXUGHAO-DNVCBOLYSA-N 1 0 369.421 2.610 20 5 FFBDRO Cc1cc(C(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c(N)c([N+](=O)[O-])c1 ZINC000182824590 509444336 /nfs/dbraw/zinc/44/43/36/509444336.db2.gz MUCGNTFPBISQLZ-KGLIPLIRSA-N 1 0 360.458 2.868 20 5 FFBDRO C[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1N)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182841589 509454849 /nfs/dbraw/zinc/45/48/49/509454849.db2.gz VNFJQGBDRFUPQC-VXGBXAGGSA-N 1 0 364.421 2.699 20 5 FFBDRO CCS(=O)(=O)N(C)C1CC[NH+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000182873976 509469430 /nfs/dbraw/zinc/46/94/30/509469430.db2.gz NKRHOFTZTHWKTR-AWEZNQCLSA-N 1 0 369.487 2.710 20 5 FFBDRO CC(C)c1ccc([C@@H]([NH3+])CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000236742111 509494380 /nfs/dbraw/zinc/49/43/80/509494380.db2.gz SEIXBMAQTHOAOB-ZDUSSCGKSA-N 1 0 369.468 2.758 20 5 FFBDRO O=C(NC1CC[NH+](CC2CC2)CC1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000179608060 509533878 /nfs/dbraw/zinc/53/38/78/509533878.db2.gz DYCRICPFXFVAAX-UHFFFAOYSA-N 1 0 354.410 2.747 20 5 FFBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000248898503 509536055 /nfs/dbraw/zinc/53/60/55/509536055.db2.gz UEKGQFYWMCULRP-SUMWQHHRSA-N 1 0 357.385 2.984 20 5 FFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000248907185 509539905 /nfs/dbraw/zinc/53/99/05/509539905.db2.gz UYOOUKDRAJTEKV-DNVCBOLYSA-N 1 0 369.421 2.610 20 5 FFBDRO O=C(C[N@H+](C[C@H]1CCOC1)C1CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000164858959 509541378 /nfs/dbraw/zinc/54/13/78/509541378.db2.gz LDCHBDWANIIMNK-LLVKDONJSA-N 1 0 353.806 2.688 20 5 FFBDRO COc1cc(N(C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000186166048 509555874 /nfs/dbraw/zinc/55/58/74/509555874.db2.gz ULSPNXDCXYNLQI-FQEVSTJZSA-N 1 0 371.437 2.677 20 5 FFBDRO CCOc1cccc(NC[C@@H](C)C[NH+]2CCN(CC)CC2)c1[N+](=O)[O-] ZINC000189444975 509579101 /nfs/dbraw/zinc/57/91/01/509579101.db2.gz UQLWVICYXNISEH-OAHLLOKOSA-N 1 0 350.463 2.679 20 5 FFBDRO C[NH2+]C[C@H]1CCCN1C(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000237263693 509606428 /nfs/dbraw/zinc/60/64/28/509606428.db2.gz FMJLYLDFTDCULR-MRXNPFEDSA-N 1 0 360.458 2.655 20 5 FFBDRO C[NH2+]CCN(C)C(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 ZINC000237355422 509630600 /nfs/dbraw/zinc/63/06/00/509630600.db2.gz GXYJPJXSWRZYPC-UHFFFAOYSA-N 1 0 366.468 2.802 20 5 FFBDRO CCOC(=O)C[C@H](C)[N@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000183181438 509644156 /nfs/dbraw/zinc/64/41/56/509644156.db2.gz FTOTUKSTXCIOCB-ZDUSSCGKSA-N 1 0 360.414 2.769 20 5 FFBDRO COc1cccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000192807976 509652051 /nfs/dbraw/zinc/65/20/51/509652051.db2.gz SIRDNWQOYDLZJU-CZUORRHYSA-N 1 0 359.426 2.692 20 5 FFBDRO CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000249398025 509670814 /nfs/dbraw/zinc/67/08/14/509670814.db2.gz BNONDLCJFYFDKF-KFWWJZLASA-N 1 0 364.446 2.766 20 5 FFBDRO C[C@H]1C[NH+](CCCCNC(=O)Nc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000267946608 509682398 /nfs/dbraw/zinc/68/23/98/509682398.db2.gz PEOPNXMIOWBIHZ-KBPBESRZSA-N 1 0 350.419 2.606 20 5 FFBDRO CC(C)c1ccc(C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000189713864 509716310 /nfs/dbraw/zinc/71/63/10/509716310.db2.gz OVWVNQJAUKPQKA-MRXNPFEDSA-N 1 0 363.458 2.901 20 5 FFBDRO C[NH+](C)C1(CNC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CCCCC1 ZINC000264827155 509728938 /nfs/dbraw/zinc/72/89/38/509728938.db2.gz IMGJCCOPVWFUHJ-UHFFFAOYSA-N 1 0 372.425 2.843 20 5 FFBDRO C[C@@H](NC(=O)CNc1ccccc1[N+](=O)[O-])[C@@H](c1ccccc1)[NH+](C)C ZINC000186494273 509738258 /nfs/dbraw/zinc/73/82/58/509738258.db2.gz UFFCAEVQXLPFME-KUHUBIRLSA-N 1 0 356.426 2.814 20 5 FFBDRO Cc1ccc(C[NH2+][C@H]2CC(=O)N(CCOc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000237801665 509738628 /nfs/dbraw/zinc/73/86/28/509738628.db2.gz SQRGYBHKTFJFJE-KRWDZBQOSA-N 1 0 369.421 2.673 20 5 FFBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)NC1CC[NH+](CC2CC2)CC1 ZINC000268106083 509758408 /nfs/dbraw/zinc/75/84/08/509758408.db2.gz IQDATJZDJGWYKX-UHFFFAOYSA-N 1 0 366.849 2.922 20 5 FFBDRO C[N@@H+]1CC[C@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)[C@@H]1c1ccccc1 ZINC000180146815 509778783 /nfs/dbraw/zinc/77/87/83/509778783.db2.gz KAUABHDMDALFDP-WMZOPIPTSA-N 1 0 365.393 2.646 20 5 FFBDRO COc1cc(CN2CCC(C)(O)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000180165516 509789977 /nfs/dbraw/zinc/78/99/77/509789977.db2.gz JNRUKYIHEYVGLX-UHFFFAOYSA-N 1 0 360.357 2.594 20 5 FFBDRO COc1cc(CN2CCOC[C@@H]2C2CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000180196640 509805024 /nfs/dbraw/zinc/80/50/24/509805024.db2.gz KONCYKXYYRSHPU-CQSZACIVSA-N 1 0 372.368 2.858 20 5 FFBDRO O=[N+]([O-])c1cc(CN2CC[C@H](C[NH+]3CCCCC3)C2)c2c(c1)COCO2 ZINC000173880879 509832283 /nfs/dbraw/zinc/83/22/83/509832283.db2.gz MDFJNWNVGXJXQG-OAHLLOKOSA-N 1 0 361.442 2.769 20 5 FFBDRO C[C@H](CNC(=O)CSc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](C)C1 ZINC000252179142 509834004 /nfs/dbraw/zinc/83/40/04/509834004.db2.gz PQWOJKFYCBQVLY-UONOGXRCSA-N 1 0 351.472 2.924 20 5 FFBDRO C[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1cccc(-n2cccn2)c1 ZINC000183566948 509865182 /nfs/dbraw/zinc/86/51/82/509865182.db2.gz QCUBVYGEVQTSJJ-CYBMUJFWSA-N 1 0 365.393 2.730 20 5 FFBDRO C[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cc(Cl)ccc1Cl ZINC000189996358 509874607 /nfs/dbraw/zinc/87/46/07/509874607.db2.gz ILBXYGXUVMKABB-BXKDBHETSA-N 1 0 359.213 2.810 20 5 FFBDRO C[C@@H]1CO[C@@H](c2ccccc2)CN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000245400309 509903479 /nfs/dbraw/zinc/90/34/79/509903479.db2.gz BQYUJHXSQXPPPQ-XFQXTVEOSA-N 1 0 372.421 2.797 20 5 FFBDRO COC(=O)c1ccccc1NC(=O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180399689 509903870 /nfs/dbraw/zinc/90/38/70/509903870.db2.gz JPCSBEIDYSRPBP-LBPRGKRZSA-N 1 0 357.366 2.671 20 5 FFBDRO C[C@@H]1CN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC[N@@H+]1CC(C)(C)O ZINC000190043581 509904595 /nfs/dbraw/zinc/90/45/95/509904595.db2.gz LEGIXEOTHLARCP-LLVKDONJSA-N 1 0 370.837 2.557 20 5 FFBDRO Cn1cc(C[NH2+]Cc2ccc(CO)c(F)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000171051082 509908778 /nfs/dbraw/zinc/90/87/78/509908778.db2.gz UBQNLGHDFYJUPJ-UHFFFAOYSA-N 1 0 370.384 2.917 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N[C@@H]3C[NH2+]CC[C@H]3C)cc2[N+](=O)[O-])CC1 ZINC000186868171 509920678 /nfs/dbraw/zinc/92/06/78/509920678.db2.gz KGAFGAHVTUYUOU-GDBMZVCRSA-N 1 0 360.458 2.559 20 5 FFBDRO C[C@H](c1ccc(Cl)cc1)[C@@H](C)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000245457952 509946839 /nfs/dbraw/zinc/94/68/39/509946839.db2.gz CJCZLGBGKHJRLS-OGHNNQOOSA-N 1 0 366.849 2.930 20 5 FFBDRO COC(=O)c1cn(C2CC[NH+]([C@@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)nn1 ZINC000183723721 509946956 /nfs/dbraw/zinc/94/69/56/509946956.db2.gz MMZFDEOPHUCKGA-ZDUSSCGKSA-N 1 0 373.413 2.679 20 5 FFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000177226361 509947432 /nfs/dbraw/zinc/94/74/32/509947432.db2.gz DLIYXHHXNCPSQT-YJBOKZPZSA-N 1 0 363.458 2.535 20 5 FFBDRO CCC[N@H+](C)C[C@H]1CCN(c2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000268474552 509954287 /nfs/dbraw/zinc/95/42/87/509954287.db2.gz JDANDBFOPYEHEY-LLVKDONJSA-N 1 0 357.252 2.920 20 5 FFBDRO CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)CC1([NH+](C)C)CCC1 ZINC000186963182 509974932 /nfs/dbraw/zinc/97/49/32/509974932.db2.gz SFNZVSPBXLHHEF-UHFFFAOYSA-N 1 0 354.838 2.603 20 5 FFBDRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000245515945 509979398 /nfs/dbraw/zinc/97/93/98/509979398.db2.gz FGMUGXDMKMFWSV-YPMHNXCESA-N 1 0 369.368 2.895 20 5 FFBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000174173077 509983652 /nfs/dbraw/zinc/98/36/52/509983652.db2.gz UHRVBPYVFGAIOT-QGZVFWFLSA-N 1 0 374.485 2.754 20 5 FFBDRO O=C(NC1CC[NH+](Cc2ccncc2)CC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000177307366 509990513 /nfs/dbraw/zinc/99/05/13/509990513.db2.gz YQNJRXWAGZRDPM-UHFFFAOYSA-N 1 0 358.373 2.523 20 5 FFBDRO CC(C)c1ccc(C(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)cc1[N+](=O)[O-] ZINC000190211307 510007520 /nfs/dbraw/zinc/00/75/20/510007520.db2.gz AUXAGGGJHYGFOS-MRXNPFEDSA-N 1 0 363.458 2.685 20 5 FFBDRO Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000180606409 510011136 /nfs/dbraw/zinc/01/11/36/510011136.db2.gz BHCDMTHRPKATFL-CQSZACIVSA-N 1 0 360.439 2.805 20 5 FFBDRO C[NH2+][C@H](C)CNC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000261723777 510041112 /nfs/dbraw/zinc/04/11/12/510041112.db2.gz KZCZVUPJHVLHIT-CHWSQXEVSA-N 1 0 357.414 2.501 20 5 FFBDRO Cn1c(Sc2ccc([N+](=O)[O-])c3cnccc23)nnc1[C@@H]1CCC[NH2+]C1 ZINC000265435072 510052879 /nfs/dbraw/zinc/05/28/79/510052879.db2.gz GMWXZLDJEVINGV-LLVKDONJSA-N 1 0 370.438 2.890 20 5 FFBDRO C[N@@H+]1CC[C@@H](NC(=O)NCCc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1 ZINC000245670180 510074052 /nfs/dbraw/zinc/07/40/52/510074052.db2.gz RYKUPPNLPHJJEU-RTBURBONSA-N 1 0 368.437 2.882 20 5 FFBDRO CC[C@H]1CN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000184006532 510084445 /nfs/dbraw/zinc/08/44/45/510084445.db2.gz ATSAMWYYNCNAHR-KRWDZBQOSA-N 1 0 368.437 2.795 20 5 FFBDRO COc1ccc(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000193834356 510091971 /nfs/dbraw/zinc/09/19/71/510091971.db2.gz GCLKSJCVFYVHNG-MRXNPFEDSA-N 1 0 369.421 2.855 20 5 FFBDRO CCc1n[nH]c(C(=O)NC[C@H](Cc2ccccc2)[NH+](CC)CC)c1[N+](=O)[O-] ZINC000171371162 510112694 /nfs/dbraw/zinc/11/26/94/510112694.db2.gz OKIKBLMLUHWFGX-HNNXBMFYSA-N 1 0 373.457 2.563 20 5 FFBDRO CC[NH+](CC)CCN(CC(C)C)C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000180797988 510116482 /nfs/dbraw/zinc/11/64/82/510116482.db2.gz YHWTUKZOUNUNSO-UHFFFAOYSA-N 1 0 365.430 2.764 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)cc1SC ZINC000177544580 510125547 /nfs/dbraw/zinc/12/55/47/510125547.db2.gz PQXJUSPIHDIUJA-NWDGAFQWSA-N 1 0 367.471 2.928 20 5 FFBDRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000265586783 510128189 /nfs/dbraw/zinc/12/81/89/510128189.db2.gz XOSSNXAWTHIEMB-KBPBESRZSA-N 1 0 367.881 2.638 20 5 FFBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)NCc3cc([N+](=O)[O-])ccc3Cl)CC[C@@H]21 ZINC000268936688 510146703 /nfs/dbraw/zinc/14/67/03/510146703.db2.gz OYIYIXGCKYHACO-WBMJQRKESA-N 1 0 366.849 2.874 20 5 FFBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC[C@@H]([NH+](C)C)C1 ZINC000245799003 510149721 /nfs/dbraw/zinc/14/97/21/510149721.db2.gz HUDIGWLJTUBFFQ-DGCLKSJQSA-N 1 0 354.838 2.601 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](Cc1ccccn1)C1CC1 ZINC000180868772 510153278 /nfs/dbraw/zinc/15/32/78/510153278.db2.gz WWEZXGZHPNIZJD-UHFFFAOYSA-N 1 0 370.409 2.992 20 5 FFBDRO O=C(NCCNc1ccccc1[N+](=O)[O-])[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000177612766 510160158 /nfs/dbraw/zinc/16/01/58/510160158.db2.gz QALQTFSUYHSXFB-OAHLLOKOSA-N 1 0 360.458 2.778 20 5 FFBDRO C[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(C(F)(F)F)c1 ZINC000174661879 510236307 /nfs/dbraw/zinc/23/63/07/510236307.db2.gz FBLCOCZNEHSMJW-YGRLFVJLSA-N 1 0 358.320 2.522 20 5 FFBDRO COc1cc(C[N@@H+]2CCC[C@@H](Cc3nccn3C)C2)c([N+](=O)[O-])cc1F ZINC000184289081 510242209 /nfs/dbraw/zinc/24/22/09/510242209.db2.gz NJANADIQNMNMSX-ZDUSSCGKSA-N 1 0 362.405 2.931 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H](c2cccc(F)c2)C2CCCC2)c1 ZINC000181022082 510242915 /nfs/dbraw/zinc/24/29/15/510242915.db2.gz VZIICZWSDCRUPD-QZTJIDSGSA-N 1 0 362.405 2.812 20 5 FFBDRO COC(=O)CN(CCc1ccccc1)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000181021433 510243606 /nfs/dbraw/zinc/24/36/06/510243606.db2.gz ILEQTQWWHJOJIG-UHFFFAOYSA-N 1 0 358.394 2.821 20 5 FFBDRO C[NH2+][C@@H]1CCN(C(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC000269147274 510259375 /nfs/dbraw/zinc/25/93/75/510259375.db2.gz ZNFARSNRZSHAOP-IIAWOOMASA-N 1 0 360.458 2.511 20 5 FFBDRO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000265907822 510292748 /nfs/dbraw/zinc/29/27/48/510292748.db2.gz AISVKMWEVRMDJN-PVRXDPTQSA-N 1 0 367.833 2.978 20 5 FFBDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000181245768 510320724 /nfs/dbraw/zinc/32/07/24/510320724.db2.gz IFQZOCULQIFNEO-CYBMUJFWSA-N 1 0 369.425 2.527 20 5 FFBDRO CCCN(C(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000262578421 510322278 /nfs/dbraw/zinc/32/22/78/510322278.db2.gz KTLFUEZLQIWGMY-YPMHNXCESA-N 1 0 355.822 2.616 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N3CC[C@@H]([NH3+])[C@H](C)C3)cc2[N+](=O)[O-])CC1 ZINC000269284209 510322669 /nfs/dbraw/zinc/32/26/69/510322669.db2.gz RQTAHYHQRMTXDF-GDBMZVCRSA-N 1 0 360.458 2.640 20 5 FFBDRO C[N@@H+](CCc1ccc(Br)cc1)CCn1cc([N+](=O)[O-])cn1 ZINC000174852211 510344543 /nfs/dbraw/zinc/34/45/43/510344543.db2.gz DYAKXKUHCVWRBQ-UHFFFAOYSA-N 1 0 353.220 2.728 20 5 FFBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246186648 510347212 /nfs/dbraw/zinc/34/72/12/510347212.db2.gz LLPXYKKWZXEULX-CJNGLKHVSA-N 1 0 357.414 2.876 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2nnc(CN3CCC[C@@H]3C[NH+]3CCCC3)o2)cc1 ZINC000171773387 510360854 /nfs/dbraw/zinc/36/08/54/510360854.db2.gz HKOJPYCCLSDFCW-MRXNPFEDSA-N 1 0 357.414 2.705 20 5 FFBDRO Cc1cc([N+](=O)[O-])cnc1NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000269361530 510361811 /nfs/dbraw/zinc/36/18/11/510361811.db2.gz PNDCCDMYTADBBK-UHFFFAOYSA-N 1 0 356.426 2.867 20 5 FFBDRO Cc1ccc([C@H](C)[NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000177999463 510368429 /nfs/dbraw/zinc/36/84/29/510368429.db2.gz DYHCLHUJBNAYLA-LBPRGKRZSA-N 1 0 369.468 2.594 20 5 FFBDRO COc1cc(CN2[C@H](C)CCC[C@@H]2CO)c([N+](=O)[O-])cc1OC(F)F ZINC000181404061 510392335 /nfs/dbraw/zinc/39/23/35/510392335.db2.gz RYTZDVKFBDRKQO-ZYHUDNBSSA-N 1 0 360.357 2.940 20 5 FFBDRO CCC[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C[C@@H]1CCCCO1 ZINC000246319018 510423142 /nfs/dbraw/zinc/42/31/42/510423142.db2.gz HTDZOCCJFLSTMY-AEFFLSMTSA-N 1 0 352.431 2.616 20 5 FFBDRO CCN(CCC[NH+](CC)CC)c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000190966050 510438037 /nfs/dbraw/zinc/43/80/37/510438037.db2.gz QHNSUZQMVNKBDW-UHFFFAOYSA-N 1 0 363.505 2.618 20 5 FFBDRO C[C@@H]1C[C@H](NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000262848727 510439404 /nfs/dbraw/zinc/43/94/04/510439404.db2.gz JTULMMSMUYROKW-ZYHUDNBSSA-N 1 0 374.363 2.672 20 5 FFBDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000190968705 510440476 /nfs/dbraw/zinc/44/04/76/510440476.db2.gz YGCSEJFKXWYWCR-UHFFFAOYSA-N 1 0 356.426 2.901 20 5 FFBDRO CC[C@H]([NH2+]CCN1C(=O)NC2(CCCC2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000181542689 510465411 /nfs/dbraw/zinc/46/54/11/510465411.db2.gz BFXXDLVVRAYXKC-HNNXBMFYSA-N 1 0 360.414 2.500 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000194653595 510465628 /nfs/dbraw/zinc/46/56/28/510465628.db2.gz NXVSYCAZYJHFED-SFHVURJKSA-N 1 0 369.421 2.884 20 5 FFBDRO C[NH+](C)CCn1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)n1 ZINC000194681216 510477780 /nfs/dbraw/zinc/47/77/80/510477780.db2.gz HEWZIQZAXDOPTM-UHFFFAOYSA-N 1 0 359.411 2.820 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(NCc2ccccc2OCCN2CCOCC2)n1 ZINC000178197611 510485529 /nfs/dbraw/zinc/48/55/29/510485529.db2.gz RWSYVHNVKZIYGE-UHFFFAOYSA-N 1 0 372.425 2.621 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)[C@H](C)C1 ZINC000175130749 510497719 /nfs/dbraw/zinc/49/77/19/510497719.db2.gz OMLJYRJFIKNSHO-ZBFHGGJFSA-N 1 0 369.487 2.562 20 5 FFBDRO Cc1csc([C@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C2CC2)n1 ZINC000181621609 510504266 /nfs/dbraw/zinc/50/42/66/510504266.db2.gz VKUDDOPLHNIZJK-GOEBONIOSA-N 1 0 363.439 2.840 20 5 FFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](Cc2nccn2C)C1 ZINC000246571789 510562794 /nfs/dbraw/zinc/56/27/94/510562794.db2.gz BQPBFFUWVFHFRU-CABCVRRESA-N 1 0 371.441 2.610 20 5 FFBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2csc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000172164733 510577989 /nfs/dbraw/zinc/57/79/89/510577989.db2.gz WWUHAFMOMORZDA-TZMCWYRMSA-N 1 0 355.460 2.523 20 5 FFBDRO COC(=O)c1ccccc1NC(=O)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181810999 510605848 /nfs/dbraw/zinc/60/58/48/510605848.db2.gz RGAXKRISQBFFHM-ZDUSSCGKSA-N 1 0 371.393 2.979 20 5 FFBDRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000181811308 510606989 /nfs/dbraw/zinc/60/69/89/510606989.db2.gz LUUYJERAWIAMDO-NSHDSACASA-N 1 0 359.373 2.902 20 5 FFBDRO CCCC[NH+]1CCC(NC(=O)NCc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000194960001 510608449 /nfs/dbraw/zinc/60/84/49/510608449.db2.gz CBVQZYRAXXQAHC-UHFFFAOYSA-N 1 0 364.446 2.667 20 5 FFBDRO Cc1c(Br)cc(C(=O)N2CCC[C@H]2C[NH+](C)C)cc1[N+](=O)[O-] ZINC000269979828 510627173 /nfs/dbraw/zinc/62/71/73/510627173.db2.gz NYQYMSPMTVTGCV-LBPRGKRZSA-N 1 0 370.247 2.832 20 5 FFBDRO C[NH+](C)CC[C@@H](NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C(C)(C)C ZINC000172267192 510638994 /nfs/dbraw/zinc/63/89/94/510638994.db2.gz DNYACJVPUAWAFJ-QGZVFWFLSA-N 1 0 373.457 2.877 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000191401932 510642188 /nfs/dbraw/zinc/64/21/88/510642188.db2.gz FXXCQSXBELKSSU-CQSZACIVSA-N 1 0 364.446 2.521 20 5 FFBDRO C[C@@H](NC(=O)CC1([NH+]2CCOCC2)CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000172414784 510716003 /nfs/dbraw/zinc/71/60/03/510716003.db2.gz NIVAQQANFHFAJN-OAHLLOKOSA-N 1 0 361.442 2.807 20 5 FFBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)n1 ZINC000191578746 510735004 /nfs/dbraw/zinc/73/50/04/510735004.db2.gz MKQIUIBNCGMQTB-MRXNPFEDSA-N 1 0 371.441 2.596 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)c1 ZINC000182063627 510735596 /nfs/dbraw/zinc/73/55/96/510735596.db2.gz SCMKMMVPWNFORQ-CQSZACIVSA-N 1 0 357.410 2.854 20 5 FFBDRO O=C(Nc1ccccc1C[NH+]1CCC(O)CC1)c1ccc([N+](=O)[O-])s1 ZINC000182062123 510736204 /nfs/dbraw/zinc/73/62/04/510736204.db2.gz SQPVDIJZKHZRDL-UHFFFAOYSA-N 1 0 361.423 2.865 20 5 FFBDRO O=C(NCCC[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1Br ZINC000172496671 510754936 /nfs/dbraw/zinc/75/49/36/510754936.db2.gz KAKBEXBHWLTPCH-UHFFFAOYSA-N 1 0 370.247 2.963 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+]2CCC(c3ccncc3)CC2)c1 ZINC000191673640 510781745 /nfs/dbraw/zinc/78/17/45/510781745.db2.gz LCLZRQRBBHGBIH-GOSISDBHSA-N 1 0 357.410 2.609 20 5 FFBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000172561604 510791862 /nfs/dbraw/zinc/79/18/62/510791862.db2.gz HHAGHBBDQIZSHV-UHFFFAOYSA-N 1 0 360.458 2.797 20 5 FFBDRO C[C@@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000182177076 510797339 /nfs/dbraw/zinc/79/73/39/510797339.db2.gz CXSCMZHJZZCMHP-YPMHNXCESA-N 1 0 352.337 2.964 20 5 FFBDRO COC(=O)[C@H]1CCCC[C@@]1(C)[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000270433157 510807789 /nfs/dbraw/zinc/80/77/89/510807789.db2.gz JNSFWKBMNHFDSB-CRAIPNDOSA-N 1 0 364.398 2.673 20 5 FFBDRO C[NH+](C)Cc1ccc(C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000188524457 510810455 /nfs/dbraw/zinc/81/04/55/510810455.db2.gz CJLOFGACSOXOMY-UHFFFAOYSA-N 1 0 355.394 2.560 20 5 FFBDRO Cc1cnc([C@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C2CC2)s1 ZINC000185376846 510827963 /nfs/dbraw/zinc/82/79/63/510827963.db2.gz GMYRQJGZKBQUFD-CZUORRHYSA-N 1 0 363.439 2.840 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000182285744 510844225 /nfs/dbraw/zinc/84/42/25/510844225.db2.gz GOOBOBLICBVKMC-GFCCVEGCSA-N 1 0 357.366 2.921 20 5 FFBDRO O=C1[C@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000263810376 510847743 /nfs/dbraw/zinc/84/77/43/510847743.db2.gz MQJAPQWXWPWAFN-WGLAMXGCSA-N 1 0 351.406 2.999 20 5 FFBDRO O=C1[C@H](N2CCC[C@@H]([NH+]3CCCC3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000247186790 510850078 /nfs/dbraw/zinc/85/00/78/510850078.db2.gz VCFASGCALNDLNG-VQIMIIECSA-N 1 0 372.469 2.650 20 5 FFBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247200922 510851329 /nfs/dbraw/zinc/85/13/29/510851329.db2.gz WDUABJKVOZKWDQ-DOTOQJQBSA-N 1 0 360.458 2.872 20 5 FFBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000285544412 510949084 /nfs/dbraw/zinc/94/90/84/510949084.db2.gz LVDQHTCNXILCFN-XJKSGUPXSA-N 1 0 357.414 2.703 20 5 FFBDRO C[NH+](C)CCn1nccc1NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000297449202 510950096 /nfs/dbraw/zinc/95/00/96/510950096.db2.gz QCXFQOYDHBQXPV-UHFFFAOYSA-N 1 0 372.429 2.549 20 5 FFBDRO CS(=O)(=O)C1(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCCC1 ZINC000285584624 510966360 /nfs/dbraw/zinc/96/63/60/510966360.db2.gz HMORTCVYXYCLNO-INIZCTEOSA-N 1 0 352.456 2.919 20 5 FFBDRO Cn1cc(N2CC[C@@H]([NH2+]Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)C2)cn1 ZINC000361010790 510978701 /nfs/dbraw/zinc/97/87/01/510978701.db2.gz GEANUDKDKUFRSC-CQSZACIVSA-N 1 0 367.409 2.957 20 5 FFBDRO COc1cc(C(=O)NC[C@H](c2cccs2)[NH+](C)C)c([N+](=O)[O-])cc1F ZINC000294340925 511031518 /nfs/dbraw/zinc/03/15/18/511031518.db2.gz LHGASRMKNXCWKV-CYBMUJFWSA-N 1 0 367.402 2.837 20 5 FFBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@H]2CCC3(CCOCC3)[C@@H]2O)c1 ZINC000282647684 511059113 /nfs/dbraw/zinc/05/91/13/511059113.db2.gz HOGYQJHUUKEUAO-MLGOLLRUSA-N 1 0 354.834 2.906 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)c1 ZINC000282856662 511137321 /nfs/dbraw/zinc/13/73/21/511137321.db2.gz OKQIRNSJCTUBIX-HNNXBMFYSA-N 1 0 361.442 2.797 20 5 FFBDRO C[NH2+]CCC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CC1 ZINC000271274635 511145892 /nfs/dbraw/zinc/14/58/92/511145892.db2.gz PDFGMZUSFODGOU-UHFFFAOYSA-N 1 0 360.458 2.657 20 5 FFBDRO COc1cc(C[NH2+]C[C@@H](C)CCCO)c([N+](=O)[O-])cc1OCC(F)F ZINC000294794283 511179230 /nfs/dbraw/zinc/17/92/30/511179230.db2.gz MGDLWHBIJRIARA-NSHDSACASA-N 1 0 362.373 2.746 20 5 FFBDRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000283019866 511202048 /nfs/dbraw/zinc/20/20/48/511202048.db2.gz GVDOIGVCKIWQFR-MXWKQRLJSA-N 1 0 371.821 2.753 20 5 FFBDRO C[C@@H]1CN(c2c(Br)cncc2[N+](=O)[O-])CCN(C2CC2)C1 ZINC000294877916 511206354 /nfs/dbraw/zinc/20/63/54/511206354.db2.gz FRQWACXZFHAGKT-JTQLQIEISA-N 1 0 355.236 2.673 20 5 FFBDRO C[C@@H]1C[C@@H](N(C)C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)CC[N@@H+]1C ZINC000294934727 511226709 /nfs/dbraw/zinc/22/67/09/511226709.db2.gz LEVDQBITTNXWDI-DOMZBBRYSA-N 1 0 357.414 2.540 20 5 FFBDRO COc1ccc(NC(=O)CC[N@@H+]2CCCC[C@@H]2C[C@H](C)O)c([N+](=O)[O-])c1 ZINC000298356578 511256739 /nfs/dbraw/zinc/25/67/39/511256739.db2.gz CCRAWWXNKPEJGG-UONOGXRCSA-N 1 0 365.430 2.557 20 5 FFBDRO CN(CC[N@H+](C)C1CCN(C)CC1)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000271615437 511264011 /nfs/dbraw/zinc/26/40/11/511264011.db2.gz DAQSBZYIOQKLKS-UHFFFAOYSA-N 1 0 354.882 2.706 20 5 FFBDRO CC(C)(C[C@@H]1CCCN(Cc2c(F)cc([N+](=O)[O-])cc2F)C1)C(N)=O ZINC000295073907 511272475 /nfs/dbraw/zinc/27/24/75/511272475.db2.gz APLQYLQWLVUAAL-NSHDSACASA-N 1 0 355.385 2.987 20 5 FFBDRO COc1cc(C[NH2+]CC2([C@@H](C)CCO)CCC2)c([N+](=O)[O-])cc1OC ZINC000271796856 511327300 /nfs/dbraw/zinc/32/73/00/511327300.db2.gz IALLEZNGOBYVHG-ZDUSSCGKSA-N 1 0 352.431 2.890 20 5 FFBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000298793753 511411750 /nfs/dbraw/zinc/41/17/50/511411750.db2.gz GHKHIUDFQAXOSD-UHFFFAOYSA-N 1 0 373.409 2.525 20 5 FFBDRO O=[N+]([O-])c1ccc2[nH]c(NC3CC[NH+](Cc4ccncc4)CC3)nc2c1 ZINC000295509242 511428223 /nfs/dbraw/zinc/42/82/23/511428223.db2.gz LIHUUOUVZJBCNQ-UHFFFAOYSA-N 1 0 352.398 2.943 20 5 FFBDRO O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000298851796 511430496 /nfs/dbraw/zinc/43/04/96/511430496.db2.gz DANDMRLFRBRXAP-UHFFFAOYSA-N 1 0 362.817 2.971 20 5 FFBDRO C[NH+](C)CCN(C(=O)c1cc([N+](=O)[O-])c(F)cc1N)C1CCCCC1 ZINC000283660823 511451542 /nfs/dbraw/zinc/45/15/42/511451542.db2.gz DSSPEDJZGQCIJZ-UHFFFAOYSA-N 1 0 352.410 2.653 20 5 FFBDRO CNC(=O)[C@@]1(C)CC[N@H+](Cc2cc(=O)oc3ccc4ccccc4c23)C1 ZINC000280484329 511483044 /nfs/dbraw/zinc/48/30/44/511483044.db2.gz AHGBHRQFCMRISP-NRFANRHFSA-N 1 0 350.418 2.904 20 5 FFBDRO C[C@H]1C[C@@H](N(C)Cc2c([N+](=O)[O-])ncn2C)CC[N@@H+]1Cc1ccccc1 ZINC000363355219 511499503 /nfs/dbraw/zinc/49/95/03/511499503.db2.gz IFPYLARFENUJIE-RDJZCZTQSA-N 1 0 357.458 2.813 20 5 FFBDRO Cc1cc(C(=O)N2CCC[C@@H]2CN2C[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000299194955 511547420 /nfs/dbraw/zinc/54/74/20/511547420.db2.gz MHHUBJVFHCIQHU-HLLBOEOZSA-N 1 0 361.442 2.617 20 5 FFBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000292404052 511585004 /nfs/dbraw/zinc/58/50/04/511585004.db2.gz TZXFJGRHCBTETJ-GJZGRUSLSA-N 1 0 360.458 2.728 20 5 FFBDRO CC[C@@H](O)[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000299420223 511629330 /nfs/dbraw/zinc/62/93/30/511629330.db2.gz WUMPFVJDRMAMTC-HZPDHXFCSA-N 1 0 365.430 2.557 20 5 FFBDRO C[C@@H]([NH2+]Cc1cccc(CS(C)(=O)=O)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284248751 511656052 /nfs/dbraw/zinc/65/60/52/511656052.db2.gz VLMBKWXRJWCTPN-GFCCVEGCSA-N 1 0 363.439 2.572 20 5 FFBDRO C[NH+](C)CC1(NC(=O)c2cccc([N+](=O)[O-])c2Br)CCC1 ZINC000281034835 511697217 /nfs/dbraw/zinc/69/72/17/511697217.db2.gz IHDQLIJYNKRDJO-UHFFFAOYSA-N 1 0 356.220 2.571 20 5 FFBDRO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000296454872 511749334 /nfs/dbraw/zinc/74/93/34/511749334.db2.gz XEHXFRIQFINIDC-YZENIEGJSA-N 1 0 367.833 2.978 20 5 FFBDRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)c3cc([O-])ccc3[N+](=O)[O-])C2)CC1 ZINC000365980981 511763429 /nfs/dbraw/zinc/76/34/29/511763429.db2.gz SPWLZPRXXJCQQH-HNNXBMFYSA-N 1 0 361.442 2.885 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])c(-c2nc([C@H]3C[N@@H+]4CCC[C@]4(C)CO3)no2)c1 ZINC000350338567 511781958 /nfs/dbraw/zinc/78/19/58/511781958.db2.gz JQMHROLUCRMZET-CRAIPNDOSA-N 1 0 374.397 2.969 20 5 FFBDRO CNc1c(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000312569161 511785495 /nfs/dbraw/zinc/78/54/95/511785495.db2.gz ZERIVULDVMFDQS-MRXNPFEDSA-N 1 0 368.437 2.888 20 5 FFBDRO CNc1c(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000312569159 511785809 /nfs/dbraw/zinc/78/58/09/511785809.db2.gz ZERIVULDVMFDQS-INIZCTEOSA-N 1 0 368.437 2.888 20 5 FFBDRO CNc1ccc(-c2nc([C@@H]3C[N@@H+]4CCC[C@@]4(C)CO3)no2)cc1[N+](=O)[O-] ZINC000350390455 511799614 /nfs/dbraw/zinc/79/96/14/511799614.db2.gz MDCYXRGYSAKSPY-YOEHRIQHSA-N 1 0 359.386 2.612 20 5 FFBDRO Cc1csc(Sc2ccc(C(=O)N[C@H](C)C[NH3+])cc2[N+](=O)[O-])n1 ZINC000274435172 511834004 /nfs/dbraw/zinc/83/40/04/511834004.db2.gz OSVZKKIYOYQPQO-MRVPVSSYSA-N 1 0 352.441 2.588 20 5 FFBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000363937944 511861737 /nfs/dbraw/zinc/86/17/37/511861737.db2.gz MBFDZUJDXOUODW-HZPDHXFCSA-N 1 0 372.469 2.942 20 5 FFBDRO CC[C@H](C)[NH+]1CCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000296755930 511883762 /nfs/dbraw/zinc/88/37/62/511883762.db2.gz BMGADVUWPPTRJX-INIZCTEOSA-N 1 0 374.485 2.754 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000296827164 511913254 /nfs/dbraw/zinc/91/32/54/511913254.db2.gz AYRGDRCUXISQJL-HOTGVXAUSA-N 1 0 357.385 2.999 20 5 FFBDRO Cc1cc(N2CCC[C@@H]([NH2+][C@@H](C)c3ccc(N)c([N+](=O)[O-])c3)C2)n(C)n1 ZINC000284926105 511931174 /nfs/dbraw/zinc/93/11/74/511931174.db2.gz DHNYFQAZJXGZNU-DZGCQCFKSA-N 1 0 358.446 2.539 20 5 FFBDRO C[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)cn1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284985874 511957380 /nfs/dbraw/zinc/95/73/80/511957380.db2.gz GHDVTXUSDOLILN-XJKSGUPXSA-N 1 0 370.457 2.885 20 5 FFBDRO Cc1cnc(N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)c([N+](=O)[O-])c1 ZINC000285031285 511975041 /nfs/dbraw/zinc/97/50/41/511975041.db2.gz VOLJLZRRUKDJML-WMLDXEAASA-N 1 0 358.446 2.551 20 5 FFBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000366382904 511991556 /nfs/dbraw/zinc/99/15/56/511991556.db2.gz BUXNARYJOAHEJI-WBVHZDCISA-N 1 0 358.442 2.896 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000281912234 512009423 /nfs/dbraw/zinc/00/94/23/512009423.db2.gz JACLQGLKSQJNNC-CJNGLKHVSA-N 1 0 362.430 2.942 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC2CC[NH+](C3CCC3)CC2)c1 ZINC000297193482 512056195 /nfs/dbraw/zinc/05/61/95/512056195.db2.gz OTRYHVPUGDRBJL-UHFFFAOYSA-N 1 0 361.442 2.805 20 5 FFBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000364404782 512106889 /nfs/dbraw/zinc/10/68/89/512106889.db2.gz PCFCPYZMRVSISL-WMLDXEAASA-N 1 0 354.410 2.630 20 5 FFBDRO Cc1c(C(=O)N2CCCC23CC[NH+](C)CC3)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000364420378 512108017 /nfs/dbraw/zinc/10/80/17/512108017.db2.gz ICLPFCHZCPCZRZ-UHFFFAOYSA-N 1 0 362.386 2.512 20 5 FFBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000367334000 512449092 /nfs/dbraw/zinc/44/90/92/512449092.db2.gz WWUNBQPGJBPRSV-BYICEURKSA-N 1 0 372.469 2.545 20 5 FFBDRO O=C(C[NH2+][C@H](c1ccccc1)[C@H]1CCOC1)Nc1ccccc1[N+](=O)[O-] ZINC000371556543 512464167 /nfs/dbraw/zinc/46/41/67/512464167.db2.gz ZFDUCLOBYZYLCX-HNAYVOBHSA-N 1 0 355.394 2.901 20 5 FFBDRO CCN(CC)c1ncc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)s1 ZINC000369556239 512476857 /nfs/dbraw/zinc/47/68/57/512476857.db2.gz KFWMINLDPZNSCJ-UHFFFAOYSA-N 1 0 364.475 2.931 20 5 FFBDRO Cc1c(NC(=O)[C@H](C)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000375784127 512505258 /nfs/dbraw/zinc/50/52/58/512505258.db2.gz GTNLCDAHAVPPOF-BPUTZDHNSA-N 1 0 360.458 2.789 20 5 FFBDRO C[C@@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000374015516 512623579 /nfs/dbraw/zinc/62/35/79/512623579.db2.gz VZJLRBJVHHBXER-RKVPGOIHSA-N 1 0 350.415 2.632 20 5 FFBDRO C[C@@H]1C[C@]2(CCO1)CN(Cc1nc3cc([N+](=O)[O-])ccc3o1)C[C@H](C)O2 ZINC000374018065 512624549 /nfs/dbraw/zinc/62/45/49/512624549.db2.gz MVMLEZMKXPQCDR-FHSNZYRGSA-N 1 0 361.398 2.894 20 5 FFBDRO O=C(CC[NH2+]C1(c2ccc3c(c2)OCO3)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000411485389 512658085 /nfs/dbraw/zinc/65/80/85/512658085.db2.gz QJRCCLXXKJNIMA-UHFFFAOYSA-N 1 0 369.377 2.931 20 5 FFBDRO C[NH+]1CCC2(CCCN(C(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)C2)CC1 ZINC000374110084 512663329 /nfs/dbraw/zinc/66/33/29/512663329.db2.gz UYAKTQKIANQSBT-UHFFFAOYSA-N 1 0 370.453 2.953 20 5 FFBDRO COC[C@@H]1CCCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000372103222 512716802 /nfs/dbraw/zinc/71/68/02/512716802.db2.gz QXVRFFKGKWMZSD-CQSZACIVSA-N 1 0 365.430 2.681 20 5 FFBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000378427749 512754294 /nfs/dbraw/zinc/75/42/94/512754294.db2.gz JLPRGVZVFWMQOG-QGZVFWFLSA-N 1 0 366.893 2.849 20 5 FFBDRO O=C(C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])N[C@H]1CCOc2ccccc21 ZINC000374303299 512754845 /nfs/dbraw/zinc/75/48/45/512754845.db2.gz RRVZMYAHDMTKKY-UABRLCRWSA-N 1 0 367.405 2.838 20 5 FFBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000368115777 512808963 /nfs/dbraw/zinc/80/89/63/512808963.db2.gz QPONBWLHGJGLOA-LSDHHAIUSA-N 1 0 351.834 2.842 20 5 FFBDRO CO[C@@](C)([C@@H](C)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000411970063 512894693 /nfs/dbraw/zinc/89/46/93/512894693.db2.gz MSBMQICXAJGTDS-HWPZZCPQSA-N 1 0 355.822 2.980 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@H](Oc3ccccc3)C2)c1 ZINC000411979310 512900018 /nfs/dbraw/zinc/90/00/18/512900018.db2.gz CWQQAUXEAIFCSC-XLIONFOSSA-N 1 0 372.421 2.878 20 5 FFBDRO COc1ccc(OCC[N@@H+]2CCC[C@H]2c2cn(C)nc2C)c([N+](=O)[O-])c1 ZINC000370405497 512915138 /nfs/dbraw/zinc/91/51/38/512915138.db2.gz JSZJRKRKDMCSJX-INIZCTEOSA-N 1 0 360.414 2.861 20 5 FFBDRO COc1ccc(NC(=O)C[NH2+][C@@H]2CCc3ccccc3OC2)c([N+](=O)[O-])c1 ZINC000374620766 512921331 /nfs/dbraw/zinc/92/13/31/512921331.db2.gz ODOGKIMEVTUSOP-CQSZACIVSA-N 1 0 371.393 2.525 20 5 FFBDRO O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000368386173 512924024 /nfs/dbraw/zinc/92/40/24/512924024.db2.gz VAEDVGSRDLNRHQ-OCCSQVGLSA-N 1 0 358.423 2.542 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(NCC2(O)CC[NH+](Cc3ccccc3)CC2)n1 ZINC000397595089 512947699 /nfs/dbraw/zinc/94/76/99/512947699.db2.gz LLCFGBCUYMADAR-UHFFFAOYSA-N 1 0 356.426 2.737 20 5 FFBDRO COC(=O)[C@]1(C)CCC[N@@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000412079896 512949047 /nfs/dbraw/zinc/94/90/47/512949047.db2.gz VJFVADUOZQQRAL-KPZWWZAWSA-N 1 0 374.397 2.981 20 5 FFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000398001238 512951309 /nfs/dbraw/zinc/95/13/09/512951309.db2.gz NNIBHMPPZRTSJT-RHSMWYFYSA-N 1 0 368.437 2.817 20 5 FFBDRO C[C@@H]1C[C@@H](Nc2ccc(C(N)=O)cc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000397976616 512951592 /nfs/dbraw/zinc/95/15/92/512951592.db2.gz KWJZIHPNMNUTDR-CZUORRHYSA-N 1 0 354.410 2.769 20 5 FFBDRO CC(=O)c1cc(NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000368542258 512992873 /nfs/dbraw/zinc/99/28/73/512992873.db2.gz CKACEVGSRKPSSH-ZWKOTPCHSA-N 1 0 369.421 2.845 20 5 FFBDRO O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000374860583 513043212 /nfs/dbraw/zinc/04/32/12/513043212.db2.gz WSYBCYFURKADEI-RHSMWYFYSA-N 1 0 361.348 2.749 20 5 FFBDRO CN(c1ccccc1)c1ccc(C[NH2+]CCn2cncn2)cc1[N+](=O)[O-] ZINC000409522654 513117775 /nfs/dbraw/zinc/11/77/75/513117775.db2.gz QKTRNJONKHMQOX-UHFFFAOYSA-N 1 0 352.398 2.744 20 5 FFBDRO COCC[N@H+](C)CC[C@@H](Nc1ncc([N+](=O)[O-])c(C)n1)c1ccccc1 ZINC000450314768 513138317 /nfs/dbraw/zinc/13/83/17/513138317.db2.gz NJQRYMUGZFLYHL-MRXNPFEDSA-N 1 0 359.430 2.815 20 5 FFBDRO Cc1cccc(CN(CC[NH+](C)C)C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])c1 ZINC000433760269 513144427 /nfs/dbraw/zinc/14/44/27/513144427.db2.gz RNVAUKNBDJSQJZ-UHFFFAOYSA-N 1 0 373.457 2.954 20 5 FFBDRO Cc1ccc(CC2CC[NH+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)cc1C ZINC000428713514 513172081 /nfs/dbraw/zinc/17/20/81/513172081.db2.gz WIPIAOAXRRCRBH-HXUWFJFHSA-N 1 0 372.469 2.724 20 5 FFBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000417710621 513176149 /nfs/dbraw/zinc/17/61/49/513176149.db2.gz DDVUWIZQYCZUDO-CALCHBBNSA-N 1 0 360.458 2.559 20 5 FFBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000417726621 513181294 /nfs/dbraw/zinc/18/12/94/513181294.db2.gz MTBKROYHENYGCQ-ROUUACIJSA-N 1 0 374.485 2.949 20 5 FFBDRO C[C@@H]1CN(c2nccc3c2cccc3[N+](=O)[O-])CC[C@H]1[NH+]1CCN(C)CC1 ZINC000450411859 513182957 /nfs/dbraw/zinc/18/29/57/513182957.db2.gz OGXLDJGAZZZFAD-CRAIPNDOSA-N 1 0 369.469 2.605 20 5 FFBDRO COc1cc(C(=O)N(C)CC[NH+](C(C)C)C(C)C)c([N+](=O)[O-])cc1F ZINC000450510529 513227024 /nfs/dbraw/zinc/22/70/24/513227024.db2.gz NYCIFBQXEDOMJF-UHFFFAOYSA-N 1 0 355.410 2.933 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000428992593 513242920 /nfs/dbraw/zinc/24/29/20/513242920.db2.gz BHJFLFUFPOWLAJ-SIXWZSSISA-N 1 0 374.485 2.894 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)c1C ZINC000440080063 513243702 /nfs/dbraw/zinc/24/37/02/513243702.db2.gz QJAMHRIVIRAFSB-TZMCWYRMSA-N 1 0 369.487 2.610 20 5 FFBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@@H](C)C1 ZINC000429012726 513253769 /nfs/dbraw/zinc/25/37/69/513253769.db2.gz VBJJGKZGCYJVBE-CKEIUWERSA-N 1 0 371.441 2.807 20 5 FFBDRO CC(C)c1n[nH]c(C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)c1[N+](=O)[O-] ZINC000434230823 513265768 /nfs/dbraw/zinc/26/57/68/513265768.db2.gz XOYAVPFHRQAGTE-ZDUSSCGKSA-N 1 0 351.451 2.682 20 5 FFBDRO CC1=CC[N@H+](CCNC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC1 ZINC000450626736 513279588 /nfs/dbraw/zinc/27/95/88/513279588.db2.gz SQPACVZDIROHBK-UHFFFAOYSA-N 1 0 357.332 2.995 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000415497379 513293588 /nfs/dbraw/zinc/29/35/88/513293588.db2.gz HOFMLUCAOWSCHR-UHFFFAOYSA-N 1 0 374.441 2.879 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000415501529 513296058 /nfs/dbraw/zinc/29/60/58/513296058.db2.gz MRWWFHLWOZRZSQ-BBRMVZONSA-N 1 0 362.430 2.989 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000415501533 513296635 /nfs/dbraw/zinc/29/66/35/513296635.db2.gz MRWWFHLWOZRZSQ-CZUORRHYSA-N 1 0 362.430 2.989 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000446659211 513308810 /nfs/dbraw/zinc/30/88/10/513308810.db2.gz UKNGQHGJTGEQLU-UHFFFAOYSA-N 1 0 356.382 2.542 20 5 FFBDRO O=C1c2ccccc2C(=O)N1CC[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000446828617 513345578 /nfs/dbraw/zinc/34/55/78/513345578.db2.gz WZLMATRPRPNHRX-UHFFFAOYSA-N 1 0 373.796 2.677 20 5 FFBDRO CC(C)C[C@@H](C[NH3+])NC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000429341348 513346347 /nfs/dbraw/zinc/34/63/47/513346347.db2.gz ZUFAZECKCUGJEM-HOCLYGCPSA-N 1 0 362.474 2.934 20 5 FFBDRO COc1ccc(OCCN2CC[N@@H+](C3CCC3)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000429354813 513348905 /nfs/dbraw/zinc/34/89/05/513348905.db2.gz PAKCRGZTXGJPTQ-HNNXBMFYSA-N 1 0 363.458 2.788 20 5 FFBDRO Nc1c(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000425007761 513366672 /nfs/dbraw/zinc/36/66/72/513366672.db2.gz NTEJORWCSBZYGW-MAUKXSAKSA-N 1 0 366.421 2.524 20 5 FFBDRO C[NH2+]C[C@H]1CCCN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000418093999 513369826 /nfs/dbraw/zinc/36/98/26/513369826.db2.gz UCRZROWZZDQCCH-LLVKDONJSA-N 1 0 374.363 2.755 20 5 FFBDRO C[NH2+][C@H]1CCCN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000418098081 513371404 /nfs/dbraw/zinc/37/14/04/513371404.db2.gz ZATZVRPAKLHRAP-LBPRGKRZSA-N 1 0 360.336 2.507 20 5 FFBDRO C[C@@H]1C[C@@H](NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000415693327 513384773 /nfs/dbraw/zinc/38/47/73/513384773.db2.gz HUYKJNHFWFLKRF-SCZZXKLOSA-N 1 0 357.208 2.619 20 5 FFBDRO C[NH2+][C@@H]1CCCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000415699961 513387937 /nfs/dbraw/zinc/38/79/37/513387937.db2.gz KUHAXUOXFCTISN-SNVBAGLBSA-N 1 0 357.208 2.573 20 5 FFBDRO CCCC[C@@H](C[NH3+])NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415703214 513389161 /nfs/dbraw/zinc/38/91/61/513389161.db2.gz QHZCBUCXHUOJJD-JTQLQIEISA-N 1 0 359.224 2.996 20 5 FFBDRO COCCO[C@H]1C[C@@H](CO)C[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000447101481 513398841 /nfs/dbraw/zinc/39/88/41/513398841.db2.gz XKEBAFFYIDRKLY-SJORKVTESA-N 1 0 366.458 2.564 20 5 FFBDRO CC[NH2+]Cc1ccccc1NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000415932907 513486138 /nfs/dbraw/zinc/48/61/38/513486138.db2.gz OQYIUWWCNXUFNF-UHFFFAOYSA-N 1 0 370.409 2.999 20 5 FFBDRO Cc1ccc([C@H](C)NC(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)cc1[N+](=O)[O-] ZINC000415953805 513496598 /nfs/dbraw/zinc/49/65/98/513496598.db2.gz GIJSIGBBIJZSOH-SWLSCSKDSA-N 1 0 369.425 2.997 20 5 FFBDRO O=[N+]([O-])c1cnc(NCc2ccccc2C[NH+]2CCC(O)CC2)c(F)c1 ZINC000413171374 513498478 /nfs/dbraw/zinc/49/84/78/513498478.db2.gz PVVNITQOANGCBO-UHFFFAOYSA-N 1 0 360.389 2.698 20 5 FFBDRO CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000447541153 513502281 /nfs/dbraw/zinc/50/22/81/513502281.db2.gz LIUZJUSGPJLUFX-QXSJWSMHSA-N 1 0 363.462 2.512 20 5 FFBDRO CN(CCC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)CC(F)(F)F ZINC000447546380 513503339 /nfs/dbraw/zinc/50/33/39/513503339.db2.gz VJCXYWDMPDDIII-OLZOCXBDSA-N 1 0 363.384 2.749 20 5 FFBDRO Cn1nccc1N1CCC[C@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000447567340 513510542 /nfs/dbraw/zinc/51/05/42/513510542.db2.gz ASNTVDAMYPUQKC-YJBOKZPZSA-N 1 0 355.442 2.964 20 5 FFBDRO CO[C@H](CC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)C(F)(F)F ZINC000447597166 513518596 /nfs/dbraw/zinc/51/85/96/513518596.db2.gz FONNARSXUSUWBP-GRYCIOLGSA-N 1 0 350.341 2.832 20 5 FFBDRO CC[NH+]1CCC(N2CCCN(C(=O)c3cccc([N+](=O)[O-])c3C)CC2)CC1 ZINC000422010873 513520431 /nfs/dbraw/zinc/52/04/31/513520431.db2.gz TZSUTGPUZPRNKJ-UHFFFAOYSA-N 1 0 374.485 2.535 20 5 FFBDRO O=[N+]([O-])c1ccc2[nH]c(=NC[C@H]3CC[N@H+](CCc4ccccc4)C3)[nH]c2c1 ZINC000447695229 513544532 /nfs/dbraw/zinc/54/45/32/513544532.db2.gz VYFFXTLTBVSKIO-MRXNPFEDSA-N 1 0 365.437 2.870 20 5 FFBDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1c1ccc([N+](=O)[O-])c2ncccc21 ZINC000413260546 513553552 /nfs/dbraw/zinc/55/35/52/513553552.db2.gz FHCZJRRAVUNXKU-CQSZACIVSA-N 1 0 356.426 2.833 20 5 FFBDRO NC(=O)C1([NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])CCCCC1 ZINC000425422154 513557011 /nfs/dbraw/zinc/55/70/11/513557011.db2.gz WTFKAGDHXADIRG-UHFFFAOYSA-N 1 0 356.220 2.635 20 5 FFBDRO COc1cc(CN(C)[C@@H](C)C[NH3+])ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000435377194 513568830 /nfs/dbraw/zinc/56/88/30/513568830.db2.gz YZYONDQQYXCGPI-AWEZNQCLSA-N 1 0 359.426 2.961 20 5 FFBDRO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000451203834 513586118 /nfs/dbraw/zinc/58/61/18/513586118.db2.gz RDFHZEKTSLLPTL-INIZCTEOSA-N 1 0 369.425 2.527 20 5 FFBDRO O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000451203835 513587310 /nfs/dbraw/zinc/58/73/10/513587310.db2.gz RDFHZEKTSLLPTL-MRXNPFEDSA-N 1 0 369.425 2.527 20 5 FFBDRO COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000451232597 513610857 /nfs/dbraw/zinc/61/08/57/513610857.db2.gz ULUPHOMZABYUNI-CABCVRRESA-N 1 0 374.397 2.856 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(C[NH2+][C@H](C2CCOCC2)C2(CO)CCC2)c(F)c1 ZINC000425531867 513624102 /nfs/dbraw/zinc/62/41/02/513624102.db2.gz ATYYKBBKJPFTKT-QGZVFWFLSA-N 1 0 370.396 2.920 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000442093144 513666600 /nfs/dbraw/zinc/66/66/00/513666600.db2.gz GZTSQHUJQJBKFJ-KCQAQPDRSA-N 1 0 369.487 2.548 20 5 FFBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2C[C@H](O)C[C@@H]2[C@H]2CCCOC2)c1 ZINC000451311867 513669622 /nfs/dbraw/zinc/66/96/22/513669622.db2.gz ZHNTWAOGJUNOOE-SGIREYDYSA-N 1 0 374.359 2.975 20 5 FFBDRO COc1ccccc1CCNC(=O)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000435785532 513683385 /nfs/dbraw/zinc/68/33/85/513683385.db2.gz CIWLKWKXKHQXNP-CQSZACIVSA-N 1 0 357.410 2.613 20 5 FFBDRO COc1ccc(OCC[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)c([N+](=O)[O-])c1 ZINC000451339693 513686688 /nfs/dbraw/zinc/68/66/88/513686688.db2.gz IWEKXYVQTYSJTD-JFIYKMOQSA-N 1 0 364.442 2.998 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000451366211 513703501 /nfs/dbraw/zinc/70/35/01/513703501.db2.gz IAWOTBSXOAUDMQ-CFLYGVGMSA-N 1 0 357.410 2.686 20 5 FFBDRO COc1ccc(OCC[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)c([N+](=O)[O-])c1 ZINC000451477163 513773330 /nfs/dbraw/zinc/77/33/30/513773330.db2.gz HITQEOZKFKVZDP-IAOVAPTHSA-N 1 0 350.415 2.775 20 5 FFBDRO CO[C@]1(C)C[C@@H]([NH2+]CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1(C)C ZINC000451483450 513777614 /nfs/dbraw/zinc/77/76/14/513777614.db2.gz FCRUNOBTXYMCNJ-CZUORRHYSA-N 1 0 355.822 2.980 20 5 FFBDRO CO[C@@]1(C)C[C@@H]([NH2+]CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1(C)C ZINC000451483449 513777722 /nfs/dbraw/zinc/77/77/22/513777722.db2.gz FCRUNOBTXYMCNJ-CJNGLKHVSA-N 1 0 355.822 2.980 20 5 FFBDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3cccc4c3OCCCO4)CC2)n1 ZINC000425959018 513805981 /nfs/dbraw/zinc/80/59/81/513805981.db2.gz QMLVASCHFNNQJK-UHFFFAOYSA-N 1 0 358.398 2.790 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2noc(C[NH2+][C@@H]([C@H](CO)C3CC3)C3CC3)n2)c1 ZINC000451590864 513853221 /nfs/dbraw/zinc/85/32/21/513853221.db2.gz NBERCVKNNFKBRG-NVXWUHKLSA-N 1 0 358.398 2.532 20 5 FFBDRO COc1cc(C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000448712036 513859715 /nfs/dbraw/zinc/85/97/15/513859715.db2.gz HQAQGUYJPPGVSG-CHWSQXEVSA-N 1 0 367.421 2.840 20 5 FFBDRO CN(C(=O)C[N@@H+]1CC2(CCOCC2)[C@@H]2CCC[C@@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000451624841 513871978 /nfs/dbraw/zinc/87/19/78/513871978.db2.gz GLLURNDOCFMDSE-MSOLQXFVSA-N 1 0 373.453 2.839 20 5 FFBDRO COc1cc(C(=O)NCC[N@H+](C)C2CCCCC2)c([N+](=O)[O-])cc1F ZINC000448803220 513905516 /nfs/dbraw/zinc/90/55/16/513905516.db2.gz CWSYPLBRBFHKHY-UHFFFAOYSA-N 1 0 353.394 2.737 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CC[C@@H]4C[C@H](O)CC[C@@H]4C3)n2)cc1 ZINC000451693428 513916189 /nfs/dbraw/zinc/91/61/89/513916189.db2.gz IDGSTGGVZILEOE-IIAWOOMASA-N 1 0 358.398 2.628 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000451700290 513921472 /nfs/dbraw/zinc/92/14/72/513921472.db2.gz XFOMSUUMSISDSV-BFYDXBDKSA-N 1 0 361.442 2.715 20 5 FFBDRO O=C(NC[C@H]1CCC[NH2+]C1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000422757642 513924084 /nfs/dbraw/zinc/92/40/84/513924084.db2.gz IRBYJNHPSJLDFJ-LBPRGKRZSA-N 1 0 353.397 2.550 20 5 FFBDRO O=C(CCC(=O)N1CCC([NH+]2CCCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000448881982 513950741 /nfs/dbraw/zinc/95/07/41/513950741.db2.gz BEYMLAQFXOFXJB-UHFFFAOYSA-N 1 0 359.426 2.645 20 5 FFBDRO C[NH+](C)C[C@@H]1CCc2ccccc2N1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000436718672 513955719 /nfs/dbraw/zinc/95/57/19/513955719.db2.gz FRUGGDYHDVNSHA-KRWDZBQOSA-N 1 0 369.421 2.883 20 5 FFBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422884874 513965018 /nfs/dbraw/zinc/96/50/18/513965018.db2.gz XUYLIBQXGRUMSK-NEPJUHHUSA-N 1 0 355.847 2.693 20 5 FFBDRO CC1(C)CCC[NH2+][C@H]1CNc1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000420233723 514056440 /nfs/dbraw/zinc/05/64/40/514056440.db2.gz ATBRXOHSTMCWME-SFHVURJKSA-N 1 0 362.474 2.617 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccc(NS(C)(=O)=O)c1 ZINC000449068263 514058224 /nfs/dbraw/zinc/05/82/24/514058224.db2.gz RMXZJOVIHOGZRJ-ZDUSSCGKSA-N 1 0 363.439 2.687 20 5 FFBDRO C[C@@]1(C[NH3+])CCN(c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000420243688 514059173 /nfs/dbraw/zinc/05/91/73/514059173.db2.gz OOFNPGCOJLCUEV-NSHDSACASA-N 1 0 354.279 2.819 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(N2CCOCC2)nc1 ZINC000449078470 514063954 /nfs/dbraw/zinc/06/39/54/514063954.db2.gz XVFURXCFOHGOGG-HNNXBMFYSA-N 1 0 356.426 2.547 20 5 FFBDRO Cc1ccc([C@H](C)NC(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)cc1[N+](=O)[O-] ZINC000423276170 514098245 /nfs/dbraw/zinc/09/82/45/514098245.db2.gz MMLFKMCFDKJVSU-XJKSGUPXSA-N 1 0 357.414 2.515 20 5 FFBDRO Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CC[NH2+][C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000420342837 514102554 /nfs/dbraw/zinc/10/25/54/514102554.db2.gz YGPKSRNQGSZGQN-KXBFYZLASA-N 1 0 368.437 2.877 20 5 FFBDRO COc1ccccc1N1CC[C@H]([NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])C1=O ZINC000449191978 514106309 /nfs/dbraw/zinc/10/63/09/514106309.db2.gz PXXGZWLSIOAHII-HOCLYGCPSA-N 1 0 369.421 2.930 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000449214765 514116589 /nfs/dbraw/zinc/11/65/89/514116589.db2.gz ZFXITLRAXJXCQE-AHRSYUTCSA-N 1 0 369.465 2.751 20 5 FFBDRO Cn1ccnc1[C@@H](NC[C@H]1[NH2+]CCCC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000423403172 514130705 /nfs/dbraw/zinc/13/07/05/514130705.db2.gz ZAGDFUXJWYGIRM-SJORKVTESA-N 1 0 357.458 2.786 20 5 FFBDRO O=C(CN1CC[NH2+]C[C@@H]1c1ccccc1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000420408153 514136644 /nfs/dbraw/zinc/13/66/44/514136644.db2.gz PAQOKRQKGGQOPM-QGZVFWFLSA-N 1 0 374.828 2.833 20 5 FFBDRO CN(C)C(=O)[C@H]1CC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000414495860 514149249 /nfs/dbraw/zinc/14/92/49/514149249.db2.gz HSIWFSUAXRPPQB-ZDUSSCGKSA-N 1 0 360.439 2.628 20 5 FFBDRO CCO[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000452037140 514152137 /nfs/dbraw/zinc/15/21/37/514152137.db2.gz UHLGTNPWUQCIGP-XGWLTEMNSA-N 1 0 365.430 2.868 20 5 FFBDRO COc1cc[nH+]c(N2CCN(c3ccnc4c3cccc4[N+](=O)[O-])CC2)c1 ZINC000432333249 514162174 /nfs/dbraw/zinc/16/21/74/514162174.db2.gz AUWUIOVBTLVZDK-UHFFFAOYSA-N 1 0 365.393 2.873 20 5 FFBDRO CCN1CC[NH+](C[C@H](C)CNc2ccnc3c2cccc3[N+](=O)[O-])CC1 ZINC000432346660 514167811 /nfs/dbraw/zinc/16/78/11/514167811.db2.gz LSEVFTFPFGUJGY-OAHLLOKOSA-N 1 0 357.458 2.829 20 5 FFBDRO Cc1c(CC(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000423617230 514185580 /nfs/dbraw/zinc/18/55/80/514185580.db2.gz XLTWSQIBVWPHKT-MSOLQXFVSA-N 1 0 353.422 2.647 20 5 FFBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2c(C(N)=O)cccc2[N+](=O)[O-])C1 ZINC000420581455 514189981 /nfs/dbraw/zinc/18/99/81/514189981.db2.gz GZLHVIRLYSEKAS-DZGCQCFKSA-N 1 0 354.410 2.941 20 5 FFBDRO COc1cccc(C(=O)NCc2ccc(C[NH+](C)C)c(F)c2)c1[N+](=O)[O-] ZINC000444313451 514190481 /nfs/dbraw/zinc/19/04/81/514190481.db2.gz NIQQVFSJVWYDOG-UHFFFAOYSA-N 1 0 361.373 2.734 20 5 FFBDRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000423638200 514190435 /nfs/dbraw/zinc/19/04/35/514190435.db2.gz IAVONSPZDQSLDA-BBRMVZONSA-N 1 0 354.410 2.769 20 5 FFBDRO CCn1cc([N+](=O)[O-])c(C(=O)Nc2cccc(CC[N@H+](C)C3CC3)c2)n1 ZINC000427370638 514195146 /nfs/dbraw/zinc/19/51/46/514195146.db2.gz ULWCHJHKSJQWJK-UHFFFAOYSA-N 1 0 357.414 2.700 20 5 FFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000423672526 514198191 /nfs/dbraw/zinc/19/81/91/514198191.db2.gz OCCLCKNHIBJRRB-HNNXBMFYSA-N 1 0 355.394 2.610 20 5 FFBDRO COc1cc(C(=O)NC[C@@H]2[NH2+]CCc3ccccc32)cc([N+](=O)[O-])c1C ZINC000423677070 514198931 /nfs/dbraw/zinc/19/89/31/514198931.db2.gz RPRWUDBGFDTIPE-INIZCTEOSA-N 1 0 355.394 2.529 20 5 FFBDRO CC[C@@H]1[C@H](CO)CC[N@@H+]1Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000449427518 514206394 /nfs/dbraw/zinc/20/63/94/514206394.db2.gz SLWGINYTKIQFPD-WCQYABFASA-N 1 0 374.384 2.840 20 5 FFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC1(CF)CCOCC1 ZINC000449488624 514228413 /nfs/dbraw/zinc/22/84/13/514228413.db2.gz JGSWQMOXWVENFV-ZDUSSCGKSA-N 1 0 353.394 2.668 20 5 FFBDRO COc1cc(C[N@@H+]2CC[C@@H]3C[C@@H](O)CC[C@@H]3C2)c([N+](=O)[O-])cc1OC ZINC000449550064 514250645 /nfs/dbraw/zinc/25/06/45/514250645.db2.gz BXERSONCJLPBDB-NFAWXSAZSA-N 1 0 350.415 2.595 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000437950735 514275302 /nfs/dbraw/zinc/27/53/02/514275302.db2.gz VWIDPNWUALPCEP-FRFSOERESA-N 1 0 373.409 2.665 20 5 FFBDRO [NH3+][C@H]1CCC[C@H](CNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000449648491 514280323 /nfs/dbraw/zinc/28/03/23/514280323.db2.gz QWQOVGXNORYSRZ-AAEUAGOBSA-N 1 0 355.822 2.651 20 5 FFBDRO CCCOc1cc(NC(=O)N2CC[C@@H]([NH3+])C2)c([N+](=O)[O-])cc1OCCC ZINC000414784731 514292138 /nfs/dbraw/zinc/29/21/38/514292138.db2.gz LAENCDDVDOHKQX-GFCCVEGCSA-N 1 0 366.418 2.737 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C[NH3+])C2CCCC2)cc1SC ZINC000423937464 514296765 /nfs/dbraw/zinc/29/67/65/514296765.db2.gz FTAFLYWMSGSDBQ-LBPRGKRZSA-N 1 0 353.444 2.573 20 5 FFBDRO COC(=O)COc1ccc(CNc2ccc([C@@H](C)[NH3+])cc2)cc1[N+](=O)[O-] ZINC000414800697 514299861 /nfs/dbraw/zinc/29/98/61/514299861.db2.gz IFRWYZJNKNMXAK-GFCCVEGCSA-N 1 0 359.382 2.778 20 5 FFBDRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000449700892 514310783 /nfs/dbraw/zinc/31/07/83/514310783.db2.gz UZDMPGCICZGOTN-IBGZPJMESA-N 1 0 363.461 2.659 20 5 FFBDRO O=C(Nc1nc(C2CC[NH2+]CC2)cs1)c1ccc(F)cc1[N+](=O)[O-] ZINC000423975557 514317405 /nfs/dbraw/zinc/31/74/05/514317405.db2.gz DHIAUOBXPIKXEH-UHFFFAOYSA-N 1 0 350.375 2.910 20 5 FFBDRO Cc1nc2ccccc2n1CCCNC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000427915996 514345019 /nfs/dbraw/zinc/34/50/19/514345019.db2.gz PHKPUQDJSSWPGY-UHFFFAOYSA-N 1 0 354.366 2.779 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)c1 ZINC000424040669 514354272 /nfs/dbraw/zinc/35/42/72/514354272.db2.gz MGIIFCRCSOWHRU-KRWDZBQOSA-N 1 0 361.442 2.844 20 5 FFBDRO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000414948976 514370564 /nfs/dbraw/zinc/37/05/64/514370564.db2.gz MZIFDDFRKJJLNL-HBNTYKKESA-N 1 0 370.356 2.706 20 5 FFBDRO O=C(NCC1CC[NH+](C2CC2)CC1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000444971242 514380608 /nfs/dbraw/zinc/38/06/08/514380608.db2.gz XGWJBWSFOLUFHE-UHFFFAOYSA-N 1 0 358.442 2.537 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC1([NH+](C)C)CCC1 ZINC000438524518 514395488 /nfs/dbraw/zinc/39/54/88/514395488.db2.gz UUNUWXFUSWZOQL-LLVKDONJSA-N 1 0 355.822 2.616 20 5 FFBDRO COCC[N@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])[C@H]1CCCSC1 ZINC000433192934 514416683 /nfs/dbraw/zinc/41/66/83/514416683.db2.gz IFTXCTFRBXEGLO-AWEZNQCLSA-N 1 0 370.471 2.826 20 5 FFBDRO O=C(Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1)c1ccc(F)cc1[N+](=O)[O-] ZINC000428542446 514494288 /nfs/dbraw/zinc/49/42/88/514494288.db2.gz RERUVNOKXGTDJB-HNNXBMFYSA-N 1 0 359.357 2.553 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000433553281 514511837 /nfs/dbraw/zinc/51/18/37/514511837.db2.gz DQUQERYJUWYZJR-UHFFFAOYSA-N 1 0 374.485 2.534 20 5 FFBDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000439255291 514516261 /nfs/dbraw/zinc/51/62/61/514516261.db2.gz GLMOHBAZBLSHQF-MRXNPFEDSA-N 1 0 363.458 2.805 20 5 FFBDRO COc1c(C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000475027967 514529872 /nfs/dbraw/zinc/52/98/72/514529872.db2.gz JYVRNERXLKMRIW-HNNXBMFYSA-N 1 0 357.410 2.506 20 5 FFBDRO C[C@@H](c1ccccc1)[C@H](O)C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000450257231 514567913 /nfs/dbraw/zinc/56/79/13/514567913.db2.gz KKERXOBOBCAAFZ-OXJNMPFZSA-N 1 0 355.438 2.881 20 5 FFBDRO Cc1nc(NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000450257610 514568520 /nfs/dbraw/zinc/56/85/20/514568520.db2.gz WQJHHSOREOKOPS-CQSZACIVSA-N 1 0 355.442 2.959 20 5 FFBDRO C[C@H](C(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)[N@H+](C)Cc1ccccc1 ZINC000461391856 514589227 /nfs/dbraw/zinc/58/92/27/514589227.db2.gz CMTACOUEORDWFT-OAHLLOKOSA-N 1 0 369.421 2.836 20 5 FFBDRO C[NH+](C)CCOc1cc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)ccn1 ZINC000497696680 514600626 /nfs/dbraw/zinc/60/06/26/514600626.db2.gz PDWBSFFQCTZZFX-UHFFFAOYSA-N 1 0 372.425 2.847 20 5 FFBDRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)c1cccc(OC)c1 ZINC000497769878 514631326 /nfs/dbraw/zinc/63/13/26/514631326.db2.gz ZZXIUIQNJDWTQT-KRWDZBQOSA-N 1 0 374.441 2.755 20 5 FFBDRO C[C@H](c1ccccc1)N(C)C(=O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000488972571 514658566 /nfs/dbraw/zinc/65/85/66/514658566.db2.gz GIYUPFBKPVSDBM-OAHLLOKOSA-N 1 0 371.441 2.648 20 5 FFBDRO O=[N+]([O-])c1cccnc1N1CC[NH+](CCCc2ccc3c(c2)CCO3)CC1 ZINC000453573787 514693170 /nfs/dbraw/zinc/69/31/70/514693170.db2.gz HVFKCBDXYDXELJ-UHFFFAOYSA-N 1 0 368.437 2.680 20 5 FFBDRO COc1cc(N2CC[C@H](OCC[NH+]3CCCCC3)C2)c(F)cc1[N+](=O)[O-] ZINC000508256513 514722838 /nfs/dbraw/zinc/72/28/38/514722838.db2.gz HWTPOLOZYWTSJC-AWEZNQCLSA-N 1 0 367.421 2.824 20 5 FFBDRO Cc1cc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000489179378 514741546 /nfs/dbraw/zinc/74/15/46/514741546.db2.gz ZAEKPCMZZXICNV-WBVHZDCISA-N 1 0 353.426 2.821 20 5 FFBDRO COC(=O)COc1ccc(C[N@@H+]2CCS[C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000475705750 514769451 /nfs/dbraw/zinc/76/94/51/514769451.db2.gz LQNPGUITBCANRO-INIZCTEOSA-N 1 0 368.455 2.720 20 5 FFBDRO COC(=O)COc1ccc(C[N@@H+]2CCS[C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000475705751 514770033 /nfs/dbraw/zinc/77/00/33/514770033.db2.gz LQNPGUITBCANRO-MRXNPFEDSA-N 1 0 368.455 2.720 20 5 FFBDRO Cc1cc(N2CCC([N@H+](C)CCO)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461943925 514798582 /nfs/dbraw/zinc/79/85/82/514798582.db2.gz YWXBMKWENGHPIT-UHFFFAOYSA-N 1 0 361.364 2.815 20 5 FFBDRO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C1 ZINC000508594181 514833968 /nfs/dbraw/zinc/83/39/68/514833968.db2.gz IIIYBNQETKTCCU-GFCCVEGCSA-N 1 0 360.366 2.858 20 5 FFBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000471381067 514860283 /nfs/dbraw/zinc/86/02/83/514860283.db2.gz KMNDGEAZXRACBN-CALCHBBNSA-N 1 0 369.396 2.938 20 5 FFBDRO COc1c(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)cccc1[N+](=O)[O-] ZINC000476049105 514898699 /nfs/dbraw/zinc/89/86/99/514898699.db2.gz JZORCRZGMGIZOA-UHFFFAOYSA-N 1 0 361.373 2.734 20 5 FFBDRO CNc1nc(C(=O)N[C@H](C)[C@H](c2ccccc2C)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000456025429 514910550 /nfs/dbraw/zinc/91/05/50/514910550.db2.gz MIGNXTKBQYQXDB-CXAGYDPISA-N 1 0 371.441 2.761 20 5 FFBDRO CC[NH+](CC)[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)CC(C)C ZINC000498454621 514911760 /nfs/dbraw/zinc/91/17/60/514911760.db2.gz OKRBBQZMFFHHJF-ZDUSSCGKSA-N 1 0 354.426 2.802 20 5 FFBDRO Cc1nc2cc(Cn3c(=O)onc3-c3ccc([N+](=O)[O-])cc3)ccc2[nH]1 ZINC000467211708 514941625 /nfs/dbraw/zinc/94/16/25/514941625.db2.gz NPUNRZQMCWFVDE-UHFFFAOYSA-N 1 0 351.322 2.645 20 5 FFBDRO CC[C@@H](CNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000480400308 514944568 /nfs/dbraw/zinc/94/45/68/514944568.db2.gz BYZUEPGBURMOMK-HNNXBMFYSA-N 1 0 371.441 2.846 20 5 FFBDRO C[N@H+](Cc1ccccc1)C1(CNC(=O)c2c(N)cccc2[N+](=O)[O-])CCC1 ZINC000456122948 514966535 /nfs/dbraw/zinc/96/65/35/514966535.db2.gz PIWSASUAVIRVNY-UHFFFAOYSA-N 1 0 368.437 2.962 20 5 FFBDRO C[N@H+](CCNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)C1CCCCC1 ZINC000480685786 515044092 /nfs/dbraw/zinc/04/40/92/515044092.db2.gz NHYBOYLCAIGWSJ-UHFFFAOYSA-N 1 0 371.441 2.775 20 5 FFBDRO CCOC(=O)[C@]1(COC)CCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000467550446 515044740 /nfs/dbraw/zinc/04/47/40/515044740.db2.gz KKANYAXBAPSRSZ-WMHRWZGDSA-N 1 0 362.426 2.900 20 5 FFBDRO CC[N@@H+]1CCC[C@H]1CNc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000462441382 515053492 /nfs/dbraw/zinc/05/34/92/515053492.db2.gz NOOORFQYKFPPEL-INIZCTEOSA-N 1 0 356.426 2.887 20 5 FFBDRO C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)CC[N@@H+]1C ZINC000462480373 515074751 /nfs/dbraw/zinc/07/47/51/515074751.db2.gz LUIANQHGYDWVFD-GOEBONIOSA-N 1 0 356.426 2.885 20 5 FFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](C3CC3)C2)nc1OCc1ccccc1 ZINC000462484573 515076993 /nfs/dbraw/zinc/07/69/93/515076993.db2.gz AJOIDSJOYFVGMQ-OAHLLOKOSA-N 1 0 354.410 2.639 20 5 FFBDRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000456351330 515119964 /nfs/dbraw/zinc/11/99/64/515119964.db2.gz MKZZBBCOUYNYSX-MRXNPFEDSA-N 1 0 360.458 2.751 20 5 FFBDRO C[NH+](C)Cc1cccc(CNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)c1 ZINC000485652248 515127165 /nfs/dbraw/zinc/12/71/65/515127165.db2.gz GNMYYMBKEASROX-UHFFFAOYSA-N 1 0 363.364 2.794 20 5 FFBDRO CC(C)(CC[NH+]1CCCCCC1)NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000476636878 515137200 /nfs/dbraw/zinc/13/72/00/515137200.db2.gz QGTQMKKSHAMQSN-UHFFFAOYSA-N 1 0 369.487 2.918 20 5 FFBDRO C[C@H]([NH2+]Cc1ccc([C@]2(C)NC(=O)NC2=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000467834308 515142318 /nfs/dbraw/zinc/14/23/18/515142318.db2.gz QLPVBRUPAPDUKI-BUXKBTBVSA-N 1 0 368.393 2.500 20 5 FFBDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000472184130 515160452 /nfs/dbraw/zinc/16/04/52/515160452.db2.gz XRWABAQPWJXDSW-CQSZACIVSA-N 1 0 369.849 2.821 20 5 FFBDRO CCC[N@H+](CC)CCNC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000472227222 515177159 /nfs/dbraw/zinc/17/71/59/515177159.db2.gz XYIPXVFEMTUJEH-GFCCVEGCSA-N 1 0 357.838 2.864 20 5 FFBDRO CCOc1cccc(N2CCN(c3cc[nH+]cc3OC)CC2)c1[N+](=O)[O-] ZINC000481036643 515182627 /nfs/dbraw/zinc/18/26/27/515182627.db2.gz KVAQUWYDMIAQBB-UHFFFAOYSA-N 1 0 358.398 2.724 20 5 FFBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)CC[NH+](C(C)C)C(C)C ZINC000504002005 515193966 /nfs/dbraw/zinc/19/39/66/515193966.db2.gz BANWGZJEUPRBFO-UHFFFAOYSA-N 1 0 357.476 2.643 20 5 FFBDRO C[C@H]1[C@@H](Nc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)CCC[N@@H+]1C ZINC000462701954 515198977 /nfs/dbraw/zinc/19/89/77/515198977.db2.gz PEYSKMCVWKYGFH-HOCLYGCPSA-N 1 0 356.426 2.885 20 5 FFBDRO CC[C@H](C)[NH+]1CCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)CC1 ZINC000456524590 515235700 /nfs/dbraw/zinc/23/57/00/515235700.db2.gz PTKXEAXBJLDEHH-ZDUSSCGKSA-N 1 0 357.414 2.541 20 5 FFBDRO COc1cc(C[NH2+][C@H](C)Cn2cccn2)c([N+](=O)[O-])cc1OCC(F)F ZINC000491065519 515370148 /nfs/dbraw/zinc/37/01/48/515370148.db2.gz LAKLMXNOEWOLBY-LLVKDONJSA-N 1 0 370.356 2.622 20 5 FFBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000468483330 515380002 /nfs/dbraw/zinc/38/00/02/515380002.db2.gz JWKGTNNGYXWMLT-QGZVFWFLSA-N 1 0 371.441 2.631 20 5 FFBDRO O=[N+]([O-])c1ccc(CN2CCC(CC[NH+]3CCOCC3)CC2)c(F)c1 ZINC000491237387 515400781 /nfs/dbraw/zinc/40/07/81/515400781.db2.gz CMBZVIUWDPBAAC-UHFFFAOYSA-N 1 0 351.422 2.668 20 5 FFBDRO C[N@@H+]1C[C@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000481757049 515453386 /nfs/dbraw/zinc/45/33/86/515453386.db2.gz WQJCCCYRSJYVQQ-IRXDYDNUSA-N 1 0 369.421 2.578 20 5 FFBDRO C[C@@H]1CN(Cc2c(Cl)cccc2[N+](=O)[O-])CC[C@H]1[NH+]1CCN(C)CC1 ZINC000491978285 515486980 /nfs/dbraw/zinc/48/69/80/515486980.db2.gz JHLAQOUXOHNYKB-RHSMWYFYSA-N 1 0 366.893 2.706 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2Cc3ccc(O)cc3C3(CC3)C2)c1 ZINC000463427816 515492722 /nfs/dbraw/zinc/49/27/22/515492722.db2.gz WVJQQEFCRKIFET-QGZVFWFLSA-N 1 0 370.405 2.588 20 5 FFBDRO COc1cc(C[NH2+][C@H]2CCN(c3ccccc3F)C2)c([N+](=O)[O-])cc1O ZINC000492081933 515500178 /nfs/dbraw/zinc/50/01/78/515500178.db2.gz MIDZRCBVNZRWLI-ZDUSSCGKSA-N 1 0 361.373 2.817 20 5 FFBDRO Cc1ccc([C@H](CNC(=O)CN(C)c2ccccc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000463518629 515533204 /nfs/dbraw/zinc/53/32/04/515533204.db2.gz WVXHYFWALSJJKK-IBGZPJMESA-N 1 0 370.453 2.759 20 5 FFBDRO O=C(CC[N@@H+](CCO)[C@H]1CCc2ccccc21)Nc1ccccc1[N+](=O)[O-] ZINC000500069638 515580378 /nfs/dbraw/zinc/58/03/78/515580378.db2.gz JGYZKTYOJXZGTD-SFHVURJKSA-N 1 0 369.421 2.905 20 5 FFBDRO COc1cc(CN2CC[N@H+](C)[C@@H](C)[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000505592545 515601101 /nfs/dbraw/zinc/60/11/01/515601101.db2.gz TUGKJRPHZSOTBQ-RYUDHWBXSA-N 1 0 373.400 2.772 20 5 FFBDRO C[C@@H]1CN(c2ccccc2CN(CC[NH3+])c2ccccc2[N+](=O)[O-])CCO1 ZINC000459559876 515650762 /nfs/dbraw/zinc/65/07/62/515650762.db2.gz MVYTXUSYICMGDC-MRXNPFEDSA-N 1 0 370.453 2.785 20 5 FFBDRO CCC[N@H+](CC)CCNC(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1C ZINC000486901297 515679082 /nfs/dbraw/zinc/67/90/82/515679082.db2.gz LHTRSTLAMGSHMG-UHFFFAOYSA-N 1 0 366.418 2.543 20 5 FFBDRO CCOc1cc(C(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000457135110 515679517 /nfs/dbraw/zinc/67/95/17/515679517.db2.gz VZOIJTNUSJTHPC-CYBMUJFWSA-N 1 0 365.430 2.557 20 5 FFBDRO COc1ccc(C[NH+]2CC(CCO)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000459596628 515682264 /nfs/dbraw/zinc/68/22/64/515682264.db2.gz SUOXLTKQMIUZCI-UHFFFAOYSA-N 1 0 372.421 2.997 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N3C[C@H](C)[NH2+]C[C@@H]3C)cc2[N+](=O)[O-])C1 ZINC000505880599 515708783 /nfs/dbraw/zinc/70/87/83/515708783.db2.gz WGHCUIOPMJUPIU-ILXRZTDVSA-N 1 0 360.458 2.654 20 5 FFBDRO Cc1c([C@@H](C)[NH2+]CCc2nnnn2-c2ccccc2)cccc1[N+](=O)[O-] ZINC000510948124 515724257 /nfs/dbraw/zinc/72/42/57/515724257.db2.gz HWFBOPDNGILWBX-CQSZACIVSA-N 1 0 352.398 2.772 20 5 FFBDRO C[C@H]1[C@H](NC(=O)CNc2ccccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000494061264 515724413 /nfs/dbraw/zinc/72/44/13/515724413.db2.gz VKMFQDBXLXJQJW-DOTOQJQBSA-N 1 0 368.437 2.786 20 5 FFBDRO CCOC[C@H]1CCCC[N@@H+]1Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000459681517 515739949 /nfs/dbraw/zinc/73/99/49/515739949.db2.gz XRWSFDRYWCKIDL-OAHLLOKOSA-N 1 0 366.414 2.538 20 5 FFBDRO O=[N+]([O-])c1ccc(CNCC2([NH+]3CCCCC3)CCOCC2)c(F)c1 ZINC000478221780 515742150 /nfs/dbraw/zinc/74/21/50/515742150.db2.gz BDJMPDSJLKRZDL-UHFFFAOYSA-N 1 0 351.422 2.859 20 5 FFBDRO Cc1ccc2nc(C[N@H+](C)CCc3ccccc3[N+](=O)[O-])cc(=O)n2c1 ZINC000511095486 515777147 /nfs/dbraw/zinc/77/71/47/515777147.db2.gz KGLYAGFFONXBCT-UHFFFAOYSA-N 1 0 352.394 2.586 20 5 FFBDRO O=C(CC(F)(F)F)NC[C@@H]1CCCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000511122591 515791276 /nfs/dbraw/zinc/79/12/76/515791276.db2.gz ONJASKQTYCXRDU-JTQLQIEISA-N 1 0 365.377 2.937 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC000511124726 515794754 /nfs/dbraw/zinc/79/47/54/515794754.db2.gz LTDUJBQQKDPEOL-HUUCEWRRSA-N 1 0 369.487 2.568 20 5 FFBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000511126470 515796278 /nfs/dbraw/zinc/79/62/78/515796278.db2.gz QHDBZFUDZGPMRS-CQSZACIVSA-N 1 0 359.348 2.622 20 5 FFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)c(F)c1 ZINC000478387037 515802201 /nfs/dbraw/zinc/80/22/01/515802201.db2.gz QXFLKTQZQMAGTI-FXAWDEMLSA-N 1 0 373.428 2.707 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+]Cc2cscc2C)cc1[N+](=O)[O-] ZINC000487216348 515802483 /nfs/dbraw/zinc/80/24/83/515802483.db2.gz OMBQEUVRIWLFPM-UHFFFAOYSA-N 1 0 350.396 2.806 20 5 FFBDRO C[C@H](NC(=O)c1ccc([N+](=O)[O-])n1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000487294880 515820083 /nfs/dbraw/zinc/82/00/83/515820083.db2.gz DIVWMEMFYSOYHX-HOCLYGCPSA-N 1 0 356.426 2.574 20 5 FFBDRO CCN(CCn1ccc([N+](=O)[O-])n1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000478437696 515822516 /nfs/dbraw/zinc/82/25/16/515822516.db2.gz QCGNYTPNZABYCL-AEFFLSMTSA-N 1 0 357.458 2.949 20 5 FFBDRO C[C@H](C[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C ZINC000459810809 515824355 /nfs/dbraw/zinc/82/43/55/515824355.db2.gz QIRBHUZKOFZWDV-CYBMUJFWSA-N 1 0 365.430 2.833 20 5 FFBDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C[C@@H](C)C1 ZINC000494386539 515826898 /nfs/dbraw/zinc/82/68/98/515826898.db2.gz NRJHDLZJNSYKCA-MKBNYLNASA-N 1 0 350.394 2.928 20 5 FFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000500882306 515894082 /nfs/dbraw/zinc/89/40/82/515894082.db2.gz CQCAYMBTUSXVFY-INIZCTEOSA-N 1 0 351.472 2.769 20 5 FFBDRO Cc1cnc(N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000474148870 515905287 /nfs/dbraw/zinc/90/52/87/515905287.db2.gz YCOSAJJHSDUPBV-SJORKVTESA-N 1 0 356.426 2.593 20 5 FFBDRO COc1cc(CN2CC[C@@H](C[N@H+](C)CC3CC3)C2)c([N+](=O)[O-])cc1F ZINC000464687955 515925154 /nfs/dbraw/zinc/92/51/54/515925154.db2.gz GPCKAPQOFUREBB-AWEZNQCLSA-N 1 0 351.422 2.906 20 5 FFBDRO C[C@@H](CCCC[NH3+])NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000494705105 515933773 /nfs/dbraw/zinc/93/37/73/515933773.db2.gz YCFKUCAURLEABT-JTQLQIEISA-N 1 0 363.336 2.783 20 5 FFBDRO Cc1nc(C(C)(C)[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)sc1C ZINC000464808141 515968625 /nfs/dbraw/zinc/96/86/25/515968625.db2.gz JBOFIXHVXYQHNF-CQSZACIVSA-N 1 0 365.455 2.933 20 5 FFBDRO COC(=O)COc1ccc(CNc2ccc(C[NH+](C)C)cc2)cc1[N+](=O)[O-] ZINC000474363240 516012372 /nfs/dbraw/zinc/01/23/72/516012372.db2.gz SVROGKGRCJQCAJ-UHFFFAOYSA-N 1 0 373.409 2.820 20 5 FFBDRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000495121501 516072320 /nfs/dbraw/zinc/07/23/20/516072320.db2.gz MNRXREZHKDXBPM-HALDLXJZSA-N 1 0 373.796 2.988 20 5 FFBDRO O=[N+]([O-])c1cnc2ccccc2c1NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000488116223 516122429 /nfs/dbraw/zinc/12/24/29/516122429.db2.gz NOSQGGLAEAIBBD-HKUYNNGSSA-N 1 0 370.453 2.745 20 5 FFBDRO NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000470156392 516151814 /nfs/dbraw/zinc/15/18/14/516151814.db2.gz OCHBPYOYMJQIIJ-OWQGQXMQSA-N 1 0 355.394 2.941 20 5 FFBDRO O=C(NCCc1ccccc1[N+](=O)[O-])[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000460493325 516169590 /nfs/dbraw/zinc/16/95/90/516169590.db2.gz RQOCMJGTNVNQMY-LJQANCHMSA-N 1 0 353.422 2.918 20 5 FFBDRO COC(=O)c1cc(NC[C@@]2([NH+](C)C)CCSC2)cc(C)c1[N+](=O)[O-] ZINC000474772287 516188069 /nfs/dbraw/zinc/18/80/69/516188069.db2.gz FFGIBCUAZKXXPT-INIZCTEOSA-N 1 0 353.444 2.539 20 5 FFBDRO COc1c(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000474776497 516190795 /nfs/dbraw/zinc/19/07/95/516190795.db2.gz RXSBWQDAQATTPW-UHFFFAOYSA-N 1 0 369.421 2.782 20 5 FFBDRO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000512346345 516247013 /nfs/dbraw/zinc/24/70/13/516247013.db2.gz MMDMEIWAISVZAQ-UHFFFAOYSA-N 1 0 370.409 2.611 20 5 FFBDRO C[N@@H+]1C[C@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)[C@H](c2ccccc2)C1 ZINC000497402524 516319723 /nfs/dbraw/zinc/31/97/23/516319723.db2.gz UOBZKZQLIIBBQW-RDJZCZTQSA-N 1 0 364.405 2.904 20 5 FFBDRO C[N@@H+]1C[C@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)[C@@H](c2ccccc2)C1 ZINC000497401299 516319806 /nfs/dbraw/zinc/31/98/06/516319806.db2.gz ZBLNGMAUZWOIOI-MJGOQNOKSA-N 1 0 364.405 2.904 20 5 FFBDRO C[N@@H+]1C[C@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)[C@H](c2ccccc2)C1 ZINC000497412343 516320854 /nfs/dbraw/zinc/32/08/54/516320854.db2.gz ZFBQZIMHDYGYCF-RDJZCZTQSA-N 1 0 364.405 2.904 20 5 FFBDRO C[N@@H+]1C[C@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)[C@@H](c2ccccc2)C1 ZINC000497412344 516320876 /nfs/dbraw/zinc/32/08/76/516320876.db2.gz ZFBQZIMHDYGYCF-WBVHZDCISA-N 1 0 364.405 2.904 20 5 FFBDRO CC(C)C[N@@H+]1CCCC[C@H]1CNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000497535599 516325632 /nfs/dbraw/zinc/32/56/32/516325632.db2.gz WDFJCNZPKSNIPR-AWEZNQCLSA-N 1 0 369.487 2.921 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)cc1C ZINC000497558468 516326342 /nfs/dbraw/zinc/32/63/42/516326342.db2.gz QKUJXNSXZFCGQP-CABCVRRESA-N 1 0 369.487 2.753 20 5 FFBDRO C[N@H+](CCCNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)C1CCCCC1 ZINC000517783557 516451992 /nfs/dbraw/zinc/45/19/92/516451992.db2.gz ZDCGSMPLSQRFES-UHFFFAOYSA-N 1 0 359.430 2.856 20 5 FFBDRO C[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc([S@@](C)=O)cc1 ZINC000561225952 516465942 /nfs/dbraw/zinc/46/59/42/516465942.db2.gz RGUWUAKEHKAZTP-XELLLNAOSA-N 1 0 361.423 2.622 20 5 FFBDRO CNC(=O)COc1cccc(C[NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)c1 ZINC000513117010 516481197 /nfs/dbraw/zinc/48/11/97/516481197.db2.gz OSRHYPAZLJLSAJ-OQLLNIDSSA-N 1 0 369.421 2.913 20 5 FFBDRO COc1ccc(C[C@](C)([NH3+])CNc2ncnc3sc([N+](=O)[O-])cc32)cc1 ZINC000561276224 516494494 /nfs/dbraw/zinc/49/44/94/516494494.db2.gz SCYSOLDKZSOHQL-KRWDZBQOSA-N 1 0 373.438 2.980 20 5 FFBDRO C[NH+](C)CCN(C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)C1CCCC1 ZINC000523663427 516537565 /nfs/dbraw/zinc/53/75/65/516537565.db2.gz UUYJZVOWQUXASX-UHFFFAOYSA-N 1 0 371.441 2.727 20 5 FFBDRO COC[C@@H]([NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)c1ccccc1 ZINC000540407607 516541842 /nfs/dbraw/zinc/54/18/42/516541842.db2.gz KSIFFXVECSAKMX-MRXNPFEDSA-N 1 0 371.393 2.870 20 5 FFBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000518128523 516558190 /nfs/dbraw/zinc/55/81/90/516558190.db2.gz WLHUBGWPCLVBSO-UHFFFAOYSA-N 1 0 368.437 2.596 20 5 FFBDRO COc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])cn2)[NH+]2CCCC2)cc1 ZINC000531627802 516561929 /nfs/dbraw/zinc/56/19/29/516561929.db2.gz QZKLXTUTMILGQN-GOSISDBHSA-N 1 0 370.409 2.565 20 5 FFBDRO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@H+](CC[C@@H]4CCCCO4)CC3)nc2c1 ZINC000547832571 516589187 /nfs/dbraw/zinc/58/91/87/516589187.db2.gz JUIJDZRTICCPDO-INIZCTEOSA-N 1 0 373.457 2.942 20 5 FFBDRO CC(C)(C)OCC[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000547832499 516589253 /nfs/dbraw/zinc/58/92/53/516589253.db2.gz XBKPELLOGQRDQI-UHFFFAOYSA-N 1 0 361.446 2.798 20 5 FFBDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000536097138 516627596 /nfs/dbraw/zinc/62/75/96/516627596.db2.gz ZNBLBEGJMHOFJM-OAHLLOKOSA-N 1 0 362.474 2.947 20 5 FFBDRO CS[C@H]1CN(c2ccc(Br)cc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000536172940 516664338 /nfs/dbraw/zinc/66/43/38/516664338.db2.gz LTGLGBSKHARNNN-STQMWFEESA-N 1 0 360.277 2.839 20 5 FFBDRO CC[NH+](CC)[C@H](CNC(=O)c1cc([N+](=O)[O-])cn1C)c1ccsc1 ZINC000518456429 516666103 /nfs/dbraw/zinc/66/61/03/516666103.db2.gz BVDGWXZJKHPQOG-OAHLLOKOSA-N 1 0 350.444 2.808 20 5 FFBDRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000536187750 516667158 /nfs/dbraw/zinc/66/71/58/516667158.db2.gz ARHWUOADEFVLFL-KBPBESRZSA-N 1 0 358.442 2.998 20 5 FFBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000561631139 516689126 /nfs/dbraw/zinc/68/91/26/516689126.db2.gz IZGFUHDFKMWAHE-UHFFFAOYSA-N 1 0 362.474 2.899 20 5 FFBDRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531882842 516691135 /nfs/dbraw/zinc/69/11/35/516691135.db2.gz QSLAPHCMYZXENM-UHFFFAOYSA-N 1 0 362.817 2.847 20 5 FFBDRO COc1cc(C[NH2+][C@](C)(CO)C(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000554976437 516730038 /nfs/dbraw/zinc/73/00/38/516730038.db2.gz UZDSQYMXXFTKHU-MRXNPFEDSA-N 1 0 362.373 2.744 20 5 FFBDRO CC1CC[NH+](CCCCNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000518634980 516731315 /nfs/dbraw/zinc/73/13/15/516731315.db2.gz XIKFJMHAWOLGTG-UHFFFAOYSA-N 1 0 363.414 2.565 20 5 FFBDRO Cc1cn2c(n1)[C@H](C[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)CCC2 ZINC000531988149 516744487 /nfs/dbraw/zinc/74/44/87/516744487.db2.gz DNKZNUGFDDFGKY-ZFWWWQNUSA-N 1 0 371.441 2.984 20 5 FFBDRO CC[NH+](CC)[C@@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])c1ccccc1Cl ZINC000548084351 516751262 /nfs/dbraw/zinc/75/12/62/516751262.db2.gz RBCXUZIGBNQXJQ-AWEZNQCLSA-N 1 0 365.821 2.784 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C[C@H]1C ZINC000524617635 516770391 /nfs/dbraw/zinc/77/03/91/516770391.db2.gz BPSSAQRVMOCSSG-HUUCEWRRSA-N 1 0 371.441 2.725 20 5 FFBDRO C[NH+](C)CCOc1cc(CNc2ncc([N+](=O)[O-])cc2Cl)ccn1 ZINC000536501679 516792815 /nfs/dbraw/zinc/79/28/15/516792815.db2.gz KARJKCWGMFMABO-UHFFFAOYSA-N 1 0 351.794 2.591 20 5 FFBDRO COc1cc(CNCc2nnc(C)s2)c([N+](=O)[O-])cc1OCC(F)F ZINC000540956703 516798220 /nfs/dbraw/zinc/79/82/20/516798220.db2.gz NWBYYCVBLBSRSB-UHFFFAOYSA-N 1 0 374.369 2.697 20 5 FFBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000514212107 516906585 /nfs/dbraw/zinc/90/65/85/516906585.db2.gz BFVYBZUIPCHYJY-CMPLNLGQSA-N 1 0 357.357 2.608 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])cn1)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000532392458 516948631 /nfs/dbraw/zinc/94/86/31/516948631.db2.gz QZOJKLQDWYAKKA-UHFFFAOYSA-N 1 0 366.421 2.653 20 5 FFBDRO Cc1c(-c2nc([C@H]([NH3+])CC(C)C)no2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000514671754 516996315 /nfs/dbraw/zinc/99/63/15/516996315.db2.gz CWLXSTPFZXRICA-CYBMUJFWSA-N 1 0 357.374 2.580 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])cn1)N1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000552007176 517024450 /nfs/dbraw/zinc/02/44/50/517024450.db2.gz MOUYYBIRJRNDEM-UHFFFAOYSA-N 1 0 363.377 2.500 20 5 FFBDRO CC[NH+]1C[C@H](C)N(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)[C@@H](C)C1 ZINC000514755590 517040002 /nfs/dbraw/zinc/04/00/02/517040002.db2.gz WJARRPYTVWNYDP-HOTGVXAUSA-N 1 0 374.485 2.752 20 5 FFBDRO CN(C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1C[NH+]2CCC1CC2 ZINC000541425009 517042477 /nfs/dbraw/zinc/04/24/77/517042477.db2.gz IERZFPDKPZYHJO-CQSZACIVSA-N 1 0 369.874 2.893 20 5 FFBDRO [NH3+]CC[C@@H]1CCCCN1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000514790624 517059498 /nfs/dbraw/zinc/05/94/98/517059498.db2.gz HEGRJVSPHSPHEA-INIZCTEOSA-N 1 0 360.458 2.541 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N(C)[C@H]3CCC[N@H+](C)C3)cc2[N+](=O)[O-])C1 ZINC000525521510 517067036 /nfs/dbraw/zinc/06/70/36/517067036.db2.gz FNRGESWEXNJCAR-WBVHZDCISA-N 1 0 374.485 2.997 20 5 FFBDRO O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)c1c[nH]nc1[N+](=O)[O-] ZINC000562399603 517082056 /nfs/dbraw/zinc/08/20/56/517082056.db2.gz YIFTUKDVJJPDIO-UHFFFAOYSA-N 1 0 357.414 2.624 20 5 FFBDRO C[C@@H]1CCC[N@H+](CCN[C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C1 ZINC000552254471 517164799 /nfs/dbraw/zinc/16/47/99/517164799.db2.gz GHSOOFHKVVSOIX-CRAIPNDOSA-N 1 0 357.458 2.739 20 5 FFBDRO COc1cc(CN(CC[NH+](C)C)Cc2ccco2)c([N+](=O)[O-])cc1OC ZINC000519785349 517180275 /nfs/dbraw/zinc/18/02/75/517180275.db2.gz GWVWSQSWLBFMLK-UHFFFAOYSA-N 1 0 363.414 2.769 20 5 FFBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000541721611 517186305 /nfs/dbraw/zinc/18/63/05/517186305.db2.gz VGFMWKPXAYPFTO-NSHDSACASA-N 1 0 370.247 2.819 20 5 FFBDRO Cc1nn(C)c(C(=O)N(CC[NH+]2CCCCCC2)C2CCC2)c1[N+](=O)[O-] ZINC000519841723 517214475 /nfs/dbraw/zinc/21/44/75/517214475.db2.gz DZEVFJXSSJGEOF-UHFFFAOYSA-N 1 0 363.462 2.507 20 5 FFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NCC2(SC)CC[NH+](C)CC2)c1 ZINC000515159981 517233419 /nfs/dbraw/zinc/23/34/19/517233419.db2.gz MVMDCSCHGBWKNO-UHFFFAOYSA-N 1 0 369.512 2.874 20 5 FFBDRO C[C@H](CNC(=O)NCCOc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC[C@@H]1C ZINC000520264884 517324238 /nfs/dbraw/zinc/32/42/38/517324238.db2.gz BPVXPQAVXJYHPG-LSDHHAIUSA-N 1 0 364.446 2.536 20 5 FFBDRO C[NH+](C)CC1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000545854362 517394984 /nfs/dbraw/zinc/39/49/84/517394984.db2.gz PYGNDTFCRJYMDX-UHFFFAOYSA-N 1 0 351.422 2.812 20 5 FFBDRO CC(C)[C@H](C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)[NH+]1CCCCC1 ZINC000520499070 517412334 /nfs/dbraw/zinc/41/23/34/517412334.db2.gz WYEAVUXNLORNOU-LJQANCHMSA-N 1 0 374.485 2.754 20 5 FFBDRO CCC[C@H](C)[C@@H](CC)[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000537938504 517414298 /nfs/dbraw/zinc/41/42/98/517414298.db2.gz BZRDCJJYKXAVJI-XJKSGUPXSA-N 1 0 357.476 2.678 20 5 FFBDRO CC(C)CCC[C@@H](C)[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000537969475 517420095 /nfs/dbraw/zinc/42/00/95/517420095.db2.gz BNCLPJKTHFSHMH-CQSZACIVSA-N 1 0 357.476 2.678 20 5 FFBDRO COc1cccc(CNC(=O)[C@@H](C)[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000549171978 517437892 /nfs/dbraw/zinc/43/78/92/517437892.db2.gz PZSUUECKNMKOLD-OAHLLOKOSA-N 1 0 371.437 2.783 20 5 FFBDRO COc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])[nH]2)[NH+]2CCCCC2)cc1 ZINC000515736453 517461385 /nfs/dbraw/zinc/46/13/85/517461385.db2.gz IWMUSCCDWIOGPK-KRWDZBQOSA-N 1 0 372.425 2.889 20 5 FFBDRO C[C@H]([NH2+]CC(=O)Nc1cc(C(C)(C)C)nn1C)c1cccc([N+](=O)[O-])c1 ZINC000538177097 517493158 /nfs/dbraw/zinc/49/31/58/517493158.db2.gz PNHSDNNQHHBPOC-LBPRGKRZSA-N 1 0 359.430 2.915 20 5 FFBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)NC[C@H]2Cc3ccccc3O2)cc1[N+](=O)[O-] ZINC000538277300 517536079 /nfs/dbraw/zinc/53/60/79/517536079.db2.gz PQLHSQGRKYQRBZ-WMLDXEAASA-N 1 0 369.421 2.674 20 5 FFBDRO COc1cccc2c1C[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000563001282 517572386 /nfs/dbraw/zinc/57/23/86/517572386.db2.gz RXKQRZCFNAJOME-CQSZACIVSA-N 1 0 355.394 2.689 20 5 FFBDRO COc1cc(C[NH2+]CC[C@@H]2CCOC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000542482399 517588171 /nfs/dbraw/zinc/58/81/71/517588171.db2.gz NJMKOVKWMGLHSM-LLVKDONJSA-N 1 0 360.357 2.764 20 5 FFBDRO CC(C)[N@H+](C)C[C@H](C)Nc1ccc([N+](=O)[O-])c(N2CCOCC2)c1F ZINC000516193262 517612566 /nfs/dbraw/zinc/61/25/66/517612566.db2.gz IUOMBCUYMYXKAU-ZDUSSCGKSA-N 1 0 354.426 2.711 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1CN1CC[N@H+](C)[C@H](Cc2ccccc2)C1 ZINC000560169097 517616594 /nfs/dbraw/zinc/61/65/94/517616594.db2.gz YKMFBWYPFPABGK-LJQANCHMSA-N 1 0 355.438 2.962 20 5 FFBDRO [NH3+][C@H]1CCCCCC[C@@H]1C(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[nH][nH]1 ZINC000563062989 517625717 /nfs/dbraw/zinc/62/57/17/517625717.db2.gz KNCSWTLTHAIYMJ-GJZGRUSLSA-N 1 0 357.414 2.643 20 5 FFBDRO CC[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000546550976 517721908 /nfs/dbraw/zinc/72/19/08/517721908.db2.gz NRSRNSILMMHLKG-CYBMUJFWSA-N 1 0 351.422 2.860 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@H]2CCN(c3ncccc3F)C2)n1 ZINC000530359298 517725993 /nfs/dbraw/zinc/72/59/93/517725993.db2.gz CFWWCTTUKKILLM-NUEKZKHPSA-N 1 0 374.420 2.678 20 5 FFBDRO Cc1c(NC(=O)CC[NH2+][C@H](CO)c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000563261620 517776800 /nfs/dbraw/zinc/77/68/00/517776800.db2.gz GIRJCYSBJSXGNN-MRXNPFEDSA-N 1 0 361.373 2.694 20 5 FFBDRO Cc1cc(N(C)CCN2CC[NH+](Cc3ccccc3)CC2)ncc1[N+](=O)[O-] ZINC000553604103 517806001 /nfs/dbraw/zinc/80/60/01/517806001.db2.gz GKAPPEXJISGZLM-UHFFFAOYSA-N 1 0 369.469 2.552 20 5 FFBDRO CCc1cnccc1[C@@H](C)[NH2+]CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000543052997 517883218 /nfs/dbraw/zinc/88/32/18/517883218.db2.gz ULCGCBSQMJPVFK-GFCCVEGCSA-N 1 0 358.398 2.850 20 5 FFBDRO CCC[C@H](C)[C@@H](CC)[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000539073132 517901553 /nfs/dbraw/zinc/90/15/53/517901553.db2.gz NYFNKUXDBFHWFA-UONOGXRCSA-N 1 0 357.476 2.678 20 5 FFBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000534521605 517926624 /nfs/dbraw/zinc/92/66/24/517926624.db2.gz JWNMPPDZCYBUFI-MRXNPFEDSA-N 1 0 356.426 2.539 20 5 FFBDRO C[C@@H](CO)[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1CCCC1 ZINC000553907374 517963787 /nfs/dbraw/zinc/96/37/87/517963787.db2.gz ZWZSXVWQIZVQHJ-NSHDSACASA-N 1 0 355.822 2.812 20 5 FFBDRO C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1)c1ccccc1[N+](=O)[O-] ZINC000539328177 517996861 /nfs/dbraw/zinc/99/68/61/517996861.db2.gz RZMCJHGPWIAHHP-CYBMUJFWSA-N 1 0 363.439 2.696 20 5 FFBDRO C[NH+](C)CCSCc1cc(I)cc([N+](=O)[O-])c1 ZINC000517059741 518004547 /nfs/dbraw/zinc/00/45/47/518004547.db2.gz WYDYMRTXZSWTSE-UHFFFAOYSA-N 1 0 366.224 2.994 20 5 FFBDRO C[NH+](C)CCOc1cc(-c2noc(-c3cc(F)cc([N+](=O)[O-])c3)n2)ccn1 ZINC000547201779 518019191 /nfs/dbraw/zinc/01/91/91/518019191.db2.gz ZGJZKWYSPSDKAF-UHFFFAOYSA-N 1 0 373.344 2.786 20 5 FFBDRO C[C@@H]1CC(CC[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000517129749 518034823 /nfs/dbraw/zinc/03/48/23/518034823.db2.gz PDFLXQPMLPGMAD-IIAWOOMASA-N 1 0 352.431 2.518 20 5 FFBDRO CC(C)[C@@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1(CO)CCC1 ZINC000550463767 518073475 /nfs/dbraw/zinc/07/34/75/518073475.db2.gz OEUVONOBZAJNBY-MRXNPFEDSA-N 1 0 360.414 2.922 20 5 FFBDRO CCC[NH+](CCC)CCCNS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000522414147 518101403 /nfs/dbraw/zinc/10/14/03/518101403.db2.gz CZWTYKNIVBWSKU-UHFFFAOYSA-N 1 0 357.476 2.694 20 5 FFBDRO COc1ccc(-c2ccc(C[NH2+]C[C@@]3(O)CCSC3)o2)c([N+](=O)[O-])c1 ZINC000531108136 518139696 /nfs/dbraw/zinc/13/96/96/518139696.db2.gz BZRUHEJFSHHGDD-KRWDZBQOSA-N 1 0 364.423 2.821 20 5 FFBDRO CC[N@H+](C)[C@@H](C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000539780686 518160056 /nfs/dbraw/zinc/16/00/56/518160056.db2.gz UHHPGFGNDJVYNT-GOSISDBHSA-N 1 0 354.410 2.568 20 5 FFBDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000578464604 518221895 /nfs/dbraw/zinc/22/18/95/518221895.db2.gz ALMOFSSAGSFFAG-GJZGRUSLSA-N 1 0 373.457 2.791 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CCc2cccc(Cl)c2)c1 ZINC000563939237 518239166 /nfs/dbraw/zinc/23/91/66/518239166.db2.gz KYCPLMQKCZGSKS-INIZCTEOSA-N 1 0 350.802 2.820 20 5 FFBDRO Cc1cccc(O[C@@H](C)C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000569687583 518241197 /nfs/dbraw/zinc/24/11/97/518241197.db2.gz XYDGLHTXEFVQTM-HOTGVXAUSA-N 1 0 360.410 2.700 20 5 FFBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000578566798 518267565 /nfs/dbraw/zinc/26/75/65/518267565.db2.gz LOVJSHGKTRZTII-CQSZACIVSA-N 1 0 373.457 2.846 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@H]1CCCC[C@H]1N1CCOCC1 ZINC000569790598 518292259 /nfs/dbraw/zinc/29/22/59/518292259.db2.gz FCHYGLWDTHCJMB-JKSUJKDBSA-N 1 0 353.850 2.981 20 5 FFBDRO CC(C)Cc1ccc([C@H](CNC(=O)c2[nH]ncc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000578634601 518303173 /nfs/dbraw/zinc/30/31/73/518303173.db2.gz BOXKIDKIGRXFTE-HNNXBMFYSA-N 1 0 359.430 2.549 20 5 FFBDRO CN(C)C1(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CCCCCC1 ZINC000564118404 518313808 /nfs/dbraw/zinc/31/38/08/518313808.db2.gz GYDJXHHHPSIACZ-INIZCTEOSA-N 1 0 365.474 2.579 20 5 FFBDRO C[C@H](C(=O)NC1CC[NH+](Cc2ccncc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000564150298 518324085 /nfs/dbraw/zinc/32/40/85/518324085.db2.gz HKBVOZZAPCUTTF-HNNXBMFYSA-N 1 0 368.437 2.874 20 5 FFBDRO C[C@@H](C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)Oc1ccccc1F ZINC000575917390 518341317 /nfs/dbraw/zinc/34/13/17/518341317.db2.gz XGBTYMVVLOIEDL-DZGCQCFKSA-N 1 0 364.373 2.531 20 5 FFBDRO C[C@H](CN1C[C@H](C)C[C@H](C)C1)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000564202509 518348968 /nfs/dbraw/zinc/34/89/68/518348968.db2.gz MLBMUEXAGLNOCP-OWCLPIDISA-N 1 0 362.474 2.879 20 5 FFBDRO O=[N+]([O-])c1ccc(OC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1CO ZINC000575958604 518360249 /nfs/dbraw/zinc/36/02/49/518360249.db2.gz ZQYQGJAVZAFFOT-LJQANCHMSA-N 1 0 372.421 2.757 20 5 FFBDRO Cc1cccc(OC[C@H](C)[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000584524915 518383500 /nfs/dbraw/zinc/38/35/00/518383500.db2.gz NCDORYRLFLDHHC-HOTGVXAUSA-N 1 0 360.410 2.700 20 5 FFBDRO Cc1ccc(C[C@H](C)[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000576030008 518395184 /nfs/dbraw/zinc/39/51/84/518395184.db2.gz JRPFRPNXRWQYRT-LBPRGKRZSA-N 1 0 368.480 2.959 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CCc2ccc(Cl)s2)cc1 ZINC000584776045 518472110 /nfs/dbraw/zinc/47/21/10/518472110.db2.gz DTNWUMZNCCODPP-UHFFFAOYSA-N 1 0 374.871 2.916 20 5 FFBDRO C[C@@H](C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])Cc1cccs1 ZINC000570201714 518492767 /nfs/dbraw/zinc/49/27/67/518492767.db2.gz DKGXGGFMQMLRGS-KGLIPLIRSA-N 1 0 350.440 2.864 20 5 FFBDRO COc1cccc(C(C)(C)C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000570201847 518492873 /nfs/dbraw/zinc/49/28/73/518492873.db2.gz KNBIKFXHPUNWMH-QGZVFWFLSA-N 1 0 374.437 2.911 20 5 FFBDRO CC(C)(C)NS(=O)(=O)CC[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000579071778 518503382 /nfs/dbraw/zinc/50/33/82/518503382.db2.gz HMXNQYQNJTWNEM-HNNXBMFYSA-N 1 0 369.487 2.625 20 5 FFBDRO CC(C)(C)c1ccncc1C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000579104001 518524475 /nfs/dbraw/zinc/52/44/75/518524475.db2.gz ZAWUXKWRLSBKHR-OAHLLOKOSA-N 1 0 359.426 2.817 20 5 FFBDRO O=[N+]([O-])c1cccc(OCC[N@H+](Cc2ccccc2)[C@@]2(CO)CCOC2)c1 ZINC000585718388 518573441 /nfs/dbraw/zinc/57/34/41/518573441.db2.gz FXCCDUGGLXPYGS-HXUWFJFHSA-N 1 0 372.421 2.627 20 5 FFBDRO C[C@H]1CCCN(c2ccc(C(=O)NC[C@]3(C)CCC[NH2+]C3)cc2[N+](=O)[O-])C1 ZINC000564836743 518642336 /nfs/dbraw/zinc/64/23/36/518642336.db2.gz IUIKVQVDDWGWDZ-MGPUTAFESA-N 1 0 374.485 2.951 20 5 FFBDRO C[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc2[nH]c(=O)oc2c1 ZINC000586790636 518643032 /nfs/dbraw/zinc/64/30/32/518643032.db2.gz YBKXJVDXZAJGQB-JTQLQIEISA-N 1 0 356.338 2.731 20 5 FFBDRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000567672731 518644003 /nfs/dbraw/zinc/64/40/03/518644003.db2.gz HJQPHMZUWCBMIG-HFAKWTLXSA-N 1 0 360.439 2.835 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@@H]2C[C@H]2c2c(F)cccc2F)c1 ZINC000564863686 518661108 /nfs/dbraw/zinc/66/11/08/518661108.db2.gz LNGWFZDPAHSZDH-DXCKQFNASA-N 1 0 364.348 2.758 20 5 FFBDRO C[NH+](C)CCOc1cnccc1CNc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000567747526 518690469 /nfs/dbraw/zinc/69/04/69/518690469.db2.gz NDLWQCPLSLKNSI-UHFFFAOYSA-N 1 0 371.441 2.816 20 5 FFBDRO COc1cc(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)c([N+](=O)[O-])cc1OC(F)F ZINC000564918396 518694501 /nfs/dbraw/zinc/69/45/01/518694501.db2.gz LNVKAVVTFCOLQU-MFKMUULPSA-N 1 0 358.341 2.816 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H]2CCCC[N@@H+]2CC(C)C)n1 ZINC000567771603 518702275 /nfs/dbraw/zinc/70/22/75/518702275.db2.gz HKUVSFZTXLRTPI-CYBMUJFWSA-N 1 0 350.419 2.699 20 5 FFBDRO CS[C@@H]1CN(c2ncnc3sc([N+](=O)[O-])cc32)C[C@H]1[NH+]1CCCC1 ZINC000588021572 518704114 /nfs/dbraw/zinc/70/41/14/518704114.db2.gz YGBNZSKIYCKTQP-VXGBXAGGSA-N 1 0 365.484 2.616 20 5 FFBDRO CC[NH2+]Cc1cccc(NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000576728245 518734791 /nfs/dbraw/zinc/73/47/91/518734791.db2.gz LXYLKIMJNYZSEB-UHFFFAOYSA-N 1 0 358.398 2.905 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2nc(CN3CC[NH2+]C[C@@H]3C(F)F)cs2)c1 ZINC000567871020 518759683 /nfs/dbraw/zinc/75/96/83/518759683.db2.gz JBQTYCVWZPVNOR-CYBMUJFWSA-N 1 0 354.382 2.757 20 5 FFBDRO C[C@]1(CNc2nccc(C(N)=O)c2[N+](=O)[O-])CCC[N@@H+]1Cc1ccccc1 ZINC000579656677 518783939 /nfs/dbraw/zinc/78/39/39/518783939.db2.gz ACDFLUGAWRKTRU-LJQANCHMSA-N 1 0 369.425 2.555 20 5 FFBDRO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000588823354 518839521 /nfs/dbraw/zinc/83/95/21/518839521.db2.gz SXAGACYRAJXNNU-OAHLLOKOSA-N 1 0 367.833 2.575 20 5 FFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]Cc1cccnc1N1CCOCC1 ZINC000571061197 518908393 /nfs/dbraw/zinc/90/83/93/518908393.db2.gz UEWWUQXELRHKOJ-KRWDZBQOSA-N 1 0 354.410 2.604 20 5 FFBDRO O=[N+]([O-])c1cc2c(nc1NC1CC[NH+](C[C@@H]3CCOC3)CC1)CCCC2 ZINC000579946679 518934236 /nfs/dbraw/zinc/93/42/36/518934236.db2.gz VLSMBLYVSWSUIN-AWEZNQCLSA-N 1 0 360.458 2.781 20 5 FFBDRO CC(C)Oc1ccccc1C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000565476286 518974704 /nfs/dbraw/zinc/97/47/04/518974704.db2.gz MXCKRMIHVISGGM-KRWDZBQOSA-N 1 0 360.410 2.912 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2noc(CN3CCCC[C@@H]3[C@@H]3CCC[NH2+]3)n2)cc1 ZINC000577371835 519048495 /nfs/dbraw/zinc/04/84/95/519048495.db2.gz XBGFMZLCXSHGFH-JKSUJKDBSA-N 1 0 357.414 2.751 20 5 FFBDRO O=[N+]([O-])c1ccccc1CC[NH2+]C[C@@H](O)COc1ccccc1Cl ZINC000571516227 519135360 /nfs/dbraw/zinc/13/53/60/519135360.db2.gz LGGOCCPMNKXKFN-CQSZACIVSA-N 1 0 350.802 2.820 20 5 FFBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000583310715 519181853 /nfs/dbraw/zinc/18/18/53/519181853.db2.gz SIOLDUPKESJHLS-UHFFFAOYSA-N 1 0 354.410 2.947 20 5 FFBDRO C[C@H](C(=O)NCc1cccc(OCC[NH+](C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000574506067 519187367 /nfs/dbraw/zinc/18/73/67/519187367.db2.gz SKKFPRPAJUWJSC-HNNXBMFYSA-N 1 0 371.437 2.955 20 5 FFBDRO Cn1c(Sc2nc3c(cc2[N+](=O)[O-])CCCC3)nnc1[C@@H]1CCC[NH2+]C1 ZINC000574515528 519191844 /nfs/dbraw/zinc/19/18/44/519191844.db2.gz GCQLXYVVNZRZHH-GFCCVEGCSA-N 1 0 374.470 2.615 20 5 FFBDRO CC[C@H](C)[N@H+](C)CCNc1ccc([N+](=O)[O-])c(N2CCOCC2)c1F ZINC000574650897 519262993 /nfs/dbraw/zinc/26/29/93/519262993.db2.gz KZRWQEXYTPKLNH-ZDUSSCGKSA-N 1 0 354.426 2.713 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2C[C@H]2c2cccc(F)c2)cc1 ZINC000568976107 519313935 /nfs/dbraw/zinc/31/39/35/519313935.db2.gz SPTZFUZZOKAHHU-DLBZAZTESA-N 1 0 364.398 2.653 20 5 FFBDRO O=C(CC[NH2+][C@@H]1CCO[C@H](c2ccncc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000566119761 519314974 /nfs/dbraw/zinc/31/49/74/519314974.db2.gz CGWPLJCVZXGFNV-QAPCUYQASA-N 1 0 370.409 2.828 20 5 FFBDRO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@@H+](C[C@@H]4CCCC[C@H]4O)CC3)nc2c1 ZINC000577956279 519340572 /nfs/dbraw/zinc/34/05/72/519340572.db2.gz XOJBFEKOJQWGHE-KBXCAEBGSA-N 1 0 373.457 2.534 20 5 FFBDRO O=[N+]([O-])c1cccnc1N1CC[NH+](C[C@H]2CCOc3ccccc32)CC1 ZINC000590781110 519365935 /nfs/dbraw/zinc/36/59/35/519365935.db2.gz PLTPHQBWLYRMRS-OAHLLOKOSA-N 1 0 354.410 2.678 20 5 FFBDRO CCOCCC[N@@H+]1CC[C@@H](Nc2c([N+](=O)[O-])nc(C)n2CC)[C@H](C)C1 ZINC000578159843 519450352 /nfs/dbraw/zinc/45/03/52/519450352.db2.gz ZHYLNGBDGGEDOG-UKRRQHHQSA-N 1 0 353.467 2.669 20 5 FFBDRO CCO[C@@H]1C[C@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C12CCCC2 ZINC000580979613 519457698 /nfs/dbraw/zinc/45/76/98/519457698.db2.gz GMMMWLDXGIUPFA-BPQIPLTHSA-N 1 0 364.442 2.662 20 5 FFBDRO Cc1ccc(C)c(S(=O)(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]2)c1[N+](=O)[O-] ZINC000575029923 519459792 /nfs/dbraw/zinc/45/97/92/519459792.db2.gz WNNMGHKZRNKXKP-GJZGRUSLSA-N 1 0 367.471 2.507 20 5 FFBDRO CN(c1ccccc1)c1ccc(C[NH2+]C[C@H]2CCCNC2=O)cc1[N+](=O)[O-] ZINC000590971907 519465189 /nfs/dbraw/zinc/46/51/89/519465189.db2.gz VWRWCBXAXISHDO-MRXNPFEDSA-N 1 0 368.437 2.979 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])c(-c2nc(CC3=[NH+][C@@H]4CCCC[C@H]4N3)no2)c1 ZINC000569389966 519524948 /nfs/dbraw/zinc/52/49/48/519524948.db2.gz LOGRGKCMQYJLDW-ZIAGYGMSSA-N 1 0 371.397 2.899 20 5 FFBDRO O=C(Nc1cccc2c1CC[NH2+]C2)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000578423519 519583248 /nfs/dbraw/zinc/58/32/48/519583248.db2.gz DIJUGKIJLAXLGN-UHFFFAOYSA-N 1 0 352.394 2.831 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CC1CCS(=O)(=O)CC1)CCCC2 ZINC000591348239 519603005 /nfs/dbraw/zinc/60/30/05/519603005.db2.gz GPRCXASQFXJHQV-KRWDZBQOSA-N 1 0 352.456 2.777 20 5 FFBDRO CC[C@H]1CN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000591356428 519607837 /nfs/dbraw/zinc/60/78/37/519607837.db2.gz XZPFCLBYQIXPJR-SMDDNHRTSA-N 1 0 354.838 2.560 20 5 FFBDRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)CCn3cc([N+](=O)[O-])cn3)C2)s1 ZINC000566681530 519609188 /nfs/dbraw/zinc/60/91/88/519609188.db2.gz IISCPLDTHITDOV-HNNXBMFYSA-N 1 0 363.487 2.615 20 5 FFBDRO C[C@H]1Cc2ccccc2N1CC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000569568075 519613712 /nfs/dbraw/zinc/61/37/12/519613712.db2.gz CFFUAAPQFSQAFY-HNNXBMFYSA-N 1 0 368.437 2.964 20 5 FFBDRO CC1=Nc2ccccc2C12CC[NH+](CCn1cc([N+](=O)[O-])ccc1=O)CC2 ZINC000602858798 519931586 /nfs/dbraw/zinc/93/15/86/519931586.db2.gz BULIBSNUHLHPGO-UHFFFAOYSA-N 1 0 366.421 2.896 20 5 FFBDRO C[C@H](NC(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000599909294 519944152 /nfs/dbraw/zinc/94/41/52/519944152.db2.gz XJSNTVSKPIPCPN-SUHUHFCYSA-N 1 0 374.363 2.825 20 5 FFBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594418460 519954360 /nfs/dbraw/zinc/95/43/60/519954360.db2.gz JFHOKYFIEFUCNC-MSOLQXFVSA-N 1 0 360.458 2.920 20 5 FFBDRO C[C@@H]1CC2(CN1C(=O)c1ccc(N3CCCC3)c([N+](=O)[O-])c1)CC[NH2+]CC2 ZINC000591651644 519987208 /nfs/dbraw/zinc/98/72/08/519987208.db2.gz DADSWXGNAMSSFE-OAHLLOKOSA-N 1 0 372.469 2.799 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](O)COc1cc(C)ccc1C ZINC000591727547 520013292 /nfs/dbraw/zinc/01/32/92/520013292.db2.gz IJOZQYDDXVQJEX-QGZVFWFLSA-N 1 0 360.410 2.750 20 5 FFBDRO Cc1ccc2c(CC[NH2+]C[C@@H](O)COc3ccccc3[N+](=O)[O-])c[nH]c2c1 ZINC000591728883 520014766 /nfs/dbraw/zinc/01/47/66/520014766.db2.gz ONLHYIBYWXYUHR-MRXNPFEDSA-N 1 0 369.421 2.957 20 5 FFBDRO CC(C)(C)[C@@H]1OCCC[C@@H]1C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000591740804 520017924 /nfs/dbraw/zinc/01/79/24/520017924.db2.gz JTBUPTCOUXNQHI-IIDMSEBBSA-N 1 0 366.458 2.765 20 5 FFBDRO COc1cc(C(=O)N2CCCN(c3cc[nH+]cc3)CC2)cc([N+](=O)[O-])c1C ZINC000603083822 520067689 /nfs/dbraw/zinc/06/76/89/520067689.db2.gz MSDJGZRZIHENRV-UHFFFAOYSA-N 1 0 370.409 2.659 20 5 FFBDRO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCCN(c2cc[nH+]cc2)CC1 ZINC000603083240 520068604 /nfs/dbraw/zinc/06/86/04/520068604.db2.gz IMBLCXUMKQYJMA-UHFFFAOYSA-N 1 0 360.801 2.996 20 5 FFBDRO CCOC(=O)c1cccc(C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)n1 ZINC000600163188 520092944 /nfs/dbraw/zinc/09/29/44/520092944.db2.gz BEDIMIULWYPYIZ-UHFFFAOYSA-N 1 0 368.393 2.980 20 5 FFBDRO [NH3+][C@H](Cc1cn(CCc2ccc([N+](=O)[O-])cc2)nn1)Cc1ccccc1 ZINC000603198595 520152154 /nfs/dbraw/zinc/15/21/54/520152154.db2.gz VNCHMGUQBVJYFR-KRWDZBQOSA-N 1 0 351.410 2.542 20 5 FFBDRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccc(N3CCCC3)c([N+](=O)[O-])c1)C2 ZINC000597715603 520193047 /nfs/dbraw/zinc/19/30/47/520193047.db2.gz NMWXEUPJBSFSAS-HXUWFJFHSA-N 1 0 372.469 2.753 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](C(=O)NCc2ccccc2)C1 ZINC000592156307 520232720 /nfs/dbraw/zinc/23/27/20/520232720.db2.gz XSAUBBWPYPKFRI-QGZVFWFLSA-N 1 0 369.421 2.742 20 5 FFBDRO O=C(CC[NH2+][C@@H](CCO)c1ccccc1F)Nc1ccc([N+](=O)[O-])cc1 ZINC000592161871 520237675 /nfs/dbraw/zinc/23/76/75/520237675.db2.gz TUMXZDLGVMTYCH-KRWDZBQOSA-N 1 0 361.373 2.776 20 5 FFBDRO O=C([C@@H]1C[C@H]1C1CC[NH2+]CC1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000592186941 520253231 /nfs/dbraw/zinc/25/32/31/520253231.db2.gz BGBGTVFZKCQBNB-RBUKOAKNSA-N 1 0 373.453 2.600 20 5 FFBDRO CN(CCCC[NH+]1CCCCC1)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000603412950 520254384 /nfs/dbraw/zinc/25/43/84/520254384.db2.gz ICEBULGMYLLUAR-UHFFFAOYSA-N 1 0 359.430 2.809 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC3(CC=CC3)[C@@H]2c2ccccc2)c1 ZINC000592188897 520254615 /nfs/dbraw/zinc/25/46/15/520254615.db2.gz UWPQXAWUOYXXKM-ROUUACIJSA-N 1 0 354.410 2.546 20 5 FFBDRO CN(CCCC[NH+]1CCCCC1)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000603418296 520256254 /nfs/dbraw/zinc/25/62/54/520256254.db2.gz XQBFNZPMMBQTRU-UHFFFAOYSA-N 1 0 373.450 2.621 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCNC(=O)c1ccccc1F ZINC000595016246 520257354 /nfs/dbraw/zinc/25/73/54/520257354.db2.gz JECYOFXYVAQCHN-LBPRGKRZSA-N 1 0 361.373 2.823 20 5 FFBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000609309850 520270203 /nfs/dbraw/zinc/27/02/03/520270203.db2.gz OYLISEOZJDYWBB-HNNXBMFYSA-N 1 0 356.426 2.683 20 5 FFBDRO O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000600472762 520281838 /nfs/dbraw/zinc/28/18/38/520281838.db2.gz PXJXZBJMKUQIAD-ZDUSSCGKSA-N 1 0 369.368 2.943 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)cc1SC ZINC000597857675 520287369 /nfs/dbraw/zinc/28/73/69/520287369.db2.gz ITDKEPVDIJKNTR-NSHDSACASA-N 1 0 367.471 2.928 20 5 FFBDRO CCS(=O)(=O)C1(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC000595098612 520293181 /nfs/dbraw/zinc/29/31/81/520293181.db2.gz CMGRBLXAYDBEFK-GDBMZVCRSA-N 1 0 366.483 2.863 20 5 FFBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000609353154 520293732 /nfs/dbraw/zinc/29/37/32/520293732.db2.gz OPJCTUBCVKQXSM-OKILXGFUSA-N 1 0 369.487 2.698 20 5 FFBDRO CC(C)(C)N1C[C@H](C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1=O ZINC000595102817 520294338 /nfs/dbraw/zinc/29/43/38/520294338.db2.gz METPWFHYIDCUOT-SOUVJXGZSA-N 1 0 363.462 2.512 20 5 FFBDRO C[C@H]([NH3+])[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)CCO1 ZINC000592312352 520327759 /nfs/dbraw/zinc/32/77/59/520327759.db2.gz RPCYQNLBSHSOLR-UGSOOPFHSA-N 1 0 371.393 2.575 20 5 FFBDRO C[C@H]1CCCN(c2ccc(C(=O)N3CCC(C)([NH3+])CC3)cc2[N+](=O)[O-])C1 ZINC000592330771 520339524 /nfs/dbraw/zinc/33/95/24/520339524.db2.gz DKYOGVIYQLLZMP-AWEZNQCLSA-N 1 0 360.458 2.785 20 5 FFBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000595224353 520359046 /nfs/dbraw/zinc/35/90/46/520359046.db2.gz DIDCHVTZJAUSGG-WBVHZDCISA-N 1 0 360.458 2.778 20 5 FFBDRO Cc1c(C(=O)N2CC[C@H](c3cccc(F)c3)[C@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000595226663 520360850 /nfs/dbraw/zinc/36/08/50/520360850.db2.gz XXRCCMJIIUOCPY-IAGOWNOFSA-N 1 0 357.385 2.999 20 5 FFBDRO [NH3+]C[C@@H]1CCCc2ccc(C(=O)NCCc3ccccc3[N+](=O)[O-])cc21 ZINC000595250987 520370766 /nfs/dbraw/zinc/37/07/66/520370766.db2.gz VDFBWQLVVXHBGS-KRWDZBQOSA-N 1 0 353.422 2.946 20 5 FFBDRO CC(C)[NH2+][C@@H]1CCCN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C1 ZINC000609595669 520371688 /nfs/dbraw/zinc/37/16/88/520371688.db2.gz YMQIUYWZMVXMBK-OAHLLOKOSA-N 1 0 360.458 2.798 20 5 FFBDRO CCOc1ccc(C(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)cc1[N+](=O)[O-] ZINC000595259214 520376933 /nfs/dbraw/zinc/37/69/33/520376933.db2.gz YYHXZXIRKBXFFU-GOSISDBHSA-N 1 0 371.393 2.907 20 5 FFBDRO C[C@@H]1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000595258929 520377473 /nfs/dbraw/zinc/37/74/73/520377473.db2.gz WOQSBNGPUVAHEX-KOLCDFICSA-N 1 0 356.220 2.557 20 5 FFBDRO CCC1([NH+]2CCOCC2)CCN(C(=O)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000600684601 520394441 /nfs/dbraw/zinc/39/44/41/520394441.db2.gz WXJMLFUYVKEBHP-UHFFFAOYSA-N 1 0 361.442 2.620 20 5 FFBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H](c1cccc(OC)c1)[NH+](C)C ZINC000603929487 520407402 /nfs/dbraw/zinc/40/74/02/520407402.db2.gz MKOYHGQNFOEZIF-GOSISDBHSA-N 1 0 372.425 2.678 20 5 FFBDRO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000609758169 520421838 /nfs/dbraw/zinc/42/18/38/520421838.db2.gz NOUKHRXLUCVXKX-RHSMWYFYSA-N 1 0 356.426 2.635 20 5 FFBDRO C[C@]1(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])COc2ccccc2O1 ZINC000600744430 520441275 /nfs/dbraw/zinc/44/12/75/520441275.db2.gz FRBWOMIMCDHLKK-IBGZPJMESA-N 1 0 371.393 2.743 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2C[C@H]2c2ccsc2)cc1 ZINC000600757236 520452312 /nfs/dbraw/zinc/45/23/12/520452312.db2.gz RFYXYRPVJVBAPZ-LSDHHAIUSA-N 1 0 352.437 2.576 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](CO)[C@H](C)c1ccccc1 ZINC000613390231 520481643 /nfs/dbraw/zinc/48/16/43/520481643.db2.gz ZTWXIQATLMZWPZ-DNVCBOLYSA-N 1 0 371.437 2.986 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000595471304 520492254 /nfs/dbraw/zinc/49/22/54/520492254.db2.gz ZBYGLEQHAINILF-MRXNPFEDSA-N 1 0 353.850 2.935 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H](c1cccnc1)C(C)(C)CO ZINC000595502272 520512091 /nfs/dbraw/zinc/51/20/91/520512091.db2.gz XXTXPCIGXSLFDH-GOSISDBHSA-N 1 0 372.425 2.586 20 5 FFBDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000598260340 520525252 /nfs/dbraw/zinc/52/52/52/520525252.db2.gz AYEDYTYQZUSNCY-OAHLLOKOSA-N 1 0 371.441 2.631 20 5 FFBDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000598262995 520526933 /nfs/dbraw/zinc/52/69/33/520526933.db2.gz OMQXPPMVGOWSIK-HNNXBMFYSA-N 1 0 371.441 2.631 20 5 FFBDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000598262965 520527548 /nfs/dbraw/zinc/52/75/48/520527548.db2.gz ODFGEEHFHHCMCB-CQSZACIVSA-N 1 0 351.472 2.924 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])C[C@H]1C ZINC000610135240 520554208 /nfs/dbraw/zinc/55/42/08/520554208.db2.gz NLQKOJUTGKOLOF-CABCVRRESA-N 1 0 369.487 2.705 20 5 FFBDRO CCC[N@@H+]1CC[C@@H](NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)C1 ZINC000598343922 520566865 /nfs/dbraw/zinc/56/68/65/520566865.db2.gz YNCBBYBQNKSDSL-GFCCVEGCSA-N 1 0 370.247 2.880 20 5 FFBDRO Cn1c(C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000604472360 520569636 /nfs/dbraw/zinc/56/96/36/520569636.db2.gz SRTKLUGZJMRHNO-MRXNPFEDSA-N 1 0 356.426 2.575 20 5 FFBDRO CCC[N@@H+]1CC[C@@H](NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000595591547 520577622 /nfs/dbraw/zinc/57/76/22/520577622.db2.gz VSWDAYJOYQQSLB-CYBMUJFWSA-N 1 0 374.363 2.897 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N[C@H]3CC[N@@H+](C4CC4)C3)cc2[N+](=O)[O-])C1 ZINC000604506135 520582636 /nfs/dbraw/zinc/58/26/36/520582636.db2.gz GVPSXJRMWYOTOL-ZBFHGGJFSA-N 1 0 372.469 2.798 20 5 FFBDRO CC(C)[N@H+](C)CC1CCN(c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)CC1 ZINC000601106417 520637570 /nfs/dbraw/zinc/63/75/70/520637570.db2.gz WGIMGSKAFFFJOV-UHFFFAOYSA-N 1 0 363.384 2.904 20 5 FFBDRO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000601115784 520643305 /nfs/dbraw/zinc/64/33/05/520643305.db2.gz KNQVTKMJIAZQPY-LLVKDONJSA-N 1 0 361.368 2.802 20 5 FFBDRO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000601147648 520660465 /nfs/dbraw/zinc/66/04/65/520660465.db2.gz VKKPBWDSLOPCIO-LLVKDONJSA-N 1 0 361.368 2.802 20 5 FFBDRO CCC1([NH+]2CCCC2)CCN(c2nc(C(=O)OC)ccc2[N+](=O)[O-])CC1 ZINC000601218182 520692940 /nfs/dbraw/zinc/69/29/40/520692940.db2.gz UBUVGQMSLSGAAG-UHFFFAOYSA-N 1 0 362.430 2.621 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@H]2CCC[C@H]2Cc2cnn(C)c2)c1 ZINC000595772382 520713258 /nfs/dbraw/zinc/71/32/58/520713258.db2.gz RXUFNRFGTZRKDF-YOEHRIQHSA-N 1 0 372.425 2.616 20 5 FFBDRO CC[C@@H]1CO[C@@H](CC)C[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000593058088 520715973 /nfs/dbraw/zinc/71/59/73/520715973.db2.gz JAMFXVQJTJECKV-HIFRSBDPSA-N 1 0 365.430 2.821 20 5 FFBDRO COc1cc(C[NH2+][C@H]2C[C@@H](O)C23CCC3)c([N+](=O)[O-])cc1OCC(F)F ZINC000595781565 520719368 /nfs/dbraw/zinc/71/93/68/520719368.db2.gz MJVYTJMZUCCMSY-LSDHHAIUSA-N 1 0 372.368 2.640 20 5 FFBDRO CCCN(CC[NH+](C)C)C(=O)c1cccc(Cn2nc([N+](=O)[O-])cc2C)c1 ZINC000593067938 520721030 /nfs/dbraw/zinc/72/10/30/520721030.db2.gz MBVFCOMXDCHTCC-UHFFFAOYSA-N 1 0 373.457 2.562 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)c1 ZINC000595786559 520723769 /nfs/dbraw/zinc/72/37/69/520723769.db2.gz BIVMLKJVFLPJEQ-SUMDDJOVSA-N 1 0 364.442 2.616 20 5 FFBDRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000610519983 520725828 /nfs/dbraw/zinc/72/58/28/520725828.db2.gz FHPRGDUPQONIAS-UHFFFAOYSA-N 1 0 368.437 2.834 20 5 FFBDRO COC(=O)c1ccnc(NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000598598726 520733798 /nfs/dbraw/zinc/73/37/98/520733798.db2.gz UADDUSUUDNASHE-HNNXBMFYSA-N 1 0 370.409 2.853 20 5 FFBDRO COC(=O)c1ccnc(NCC[C@H](C)[N@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000598602771 520737954 /nfs/dbraw/zinc/73/79/54/520737954.db2.gz QHTUTCVMBXGWHA-AWEZNQCLSA-N 1 0 372.425 2.521 20 5 FFBDRO COC(=O)c1ccnc(N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1[N+](=O)[O-] ZINC000598610159 520740877 /nfs/dbraw/zinc/74/08/77/520740877.db2.gz DZPRIRXFFFXPDS-QWHCGFSZSA-N 1 0 362.430 2.841 20 5 FFBDRO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)c1ccncc1[N+](=O)[O-] ZINC000610573456 520744864 /nfs/dbraw/zinc/74/48/64/520744864.db2.gz AEYFJONAAICSMW-UHFFFAOYSA-N 1 0 361.490 2.622 20 5 FFBDRO Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)N(CC[NH+](C)C)C(C)C)c1 ZINC000593105780 520749521 /nfs/dbraw/zinc/74/95/21/520749521.db2.gz JSAYLPJTKUECAB-UHFFFAOYSA-N 1 0 373.457 2.560 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+](CCC2CC2)CC2CC2)cc1 ZINC000595872411 520780719 /nfs/dbraw/zinc/78/07/19/520780719.db2.gz YAGNJBZOYOPOCG-UHFFFAOYSA-N 1 0 352.456 2.881 20 5 FFBDRO C[C@@H]1C[N@H+](C)[C@H](C)[C@H](C)N1C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000593188305 520810834 /nfs/dbraw/zinc/81/08/34/520810834.db2.gz BXNMYMAESILWCW-MXWKQRLJSA-N 1 0 370.247 2.910 20 5 FFBDRO [NH3+][C@@H]1CCc2ccccc2N(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000595904224 520811032 /nfs/dbraw/zinc/81/10/32/520811032.db2.gz UVKLQOWZGMJGBC-OAHLLOKOSA-N 1 0 365.393 2.925 20 5 FFBDRO CC(C)C[N@H+](C)CCCNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000593204526 520825377 /nfs/dbraw/zinc/82/53/77/520825377.db2.gz YIJMGABSHPPZHL-UHFFFAOYSA-N 1 0 359.373 2.904 20 5 FFBDRO O=C(N[C@H](C[NH+]1CCCCC1)c1ccccc1)c1ccc([N+](=O)[O-])cn1 ZINC000610771973 520836342 /nfs/dbraw/zinc/83/63/42/520836342.db2.gz UTYIPMUVWNZWEX-GOSISDBHSA-N 1 0 354.410 2.947 20 5 FFBDRO [NH3+]C[C@H]1Cc2ccccc2N(C(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000601555565 520838533 /nfs/dbraw/zinc/83/85/33/520838533.db2.gz YFQWOLYYTDOUSU-CYBMUJFWSA-N 1 0 357.435 2.851 20 5 FFBDRO COc1ccc(OCC[NH2+]C(C)(C)C(=O)Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000610844287 520868091 /nfs/dbraw/zinc/86/80/91/520868091.db2.gz DZJNRQXISGJJCC-UHFFFAOYSA-N 1 0 373.409 2.989 20 5 FFBDRO O=C(NCc1ccc2c[nH+]cn2c1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601627598 520872462 /nfs/dbraw/zinc/87/24/62/520872462.db2.gz YXYOEOJWWKKPQM-UHFFFAOYSA-N 1 0 350.378 2.981 20 5 FFBDRO CO[C@H](C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000596065727 520890067 /nfs/dbraw/zinc/89/00/67/520890067.db2.gz JTOUNTOMKOEWRV-SJLPKXTDSA-N 1 0 352.431 2.519 20 5 FFBDRO CC[NH+]1CCC(N(C)c2ccc([N+](=O)[O-])c(C(=O)OC)c2Cl)CC1 ZINC000596070261 520893350 /nfs/dbraw/zinc/89/33/50/520893350.db2.gz AAKNQWPACVUPSV-UHFFFAOYSA-N 1 0 355.822 2.955 20 5 FFBDRO C[C@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000610904657 520899311 /nfs/dbraw/zinc/89/93/11/520899311.db2.gz QZMXGWRNBVHBOP-JTQLQIEISA-N 1 0 370.247 2.817 20 5 FFBDRO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000598913801 520913905 /nfs/dbraw/zinc/91/39/05/520913905.db2.gz NUQNJNSYDMHMMP-HNNXBMFYSA-N 1 0 350.394 2.976 20 5 FFBDRO COc1ccc(-c2ccc(C[NH2+]CCc3cncn3C)o2)c([N+](=O)[O-])c1 ZINC000598918257 520917110 /nfs/dbraw/zinc/91/71/10/520917110.db2.gz WBHFSOMUSPHQQI-UHFFFAOYSA-N 1 0 356.382 2.929 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000601782334 520948645 /nfs/dbraw/zinc/94/86/45/520948645.db2.gz YOLXUTUHHVLRHU-UHFFFAOYSA-N 1 0 357.414 2.927 20 5 FFBDRO COc1cccc(C(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000618222350 520950073 /nfs/dbraw/zinc/95/00/73/520950073.db2.gz XJERMVIMRZWJAX-INIZCTEOSA-N 1 0 369.421 2.950 20 5 FFBDRO COc1cc(C[NH2+]C[C@]2(C)COc3ccccc3O2)c([N+](=O)[O-])cc1OC ZINC000598985042 520960918 /nfs/dbraw/zinc/96/09/18/520960918.db2.gz HKWIIARVYAGCRJ-LJQANCHMSA-N 1 0 374.393 2.932 20 5 FFBDRO C[NH+](C)CCNC(=O)c1ccc(NCc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000598992176 520964512 /nfs/dbraw/zinc/96/45/12/520964512.db2.gz SOMOSVLKVGHVLL-UHFFFAOYSA-N 1 0 360.389 2.637 20 5 FFBDRO Cn1cc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000598993520 520965770 /nfs/dbraw/zinc/96/57/70/520965770.db2.gz DDIRSUUJOSFIDL-HNNXBMFYSA-N 1 0 357.458 2.817 20 5 FFBDRO C[C@H]1CCC[N@H+](CCCCNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000593406136 520970262 /nfs/dbraw/zinc/97/02/62/520970262.db2.gz BHQOZWMEAYGQHZ-AWEZNQCLSA-N 1 0 351.422 2.905 20 5 FFBDRO CN(c1ccccc1)c1ccc(C[NH2+]C[C@@H]2COCCN2C)cc1[N+](=O)[O-] ZINC000599002837 520972768 /nfs/dbraw/zinc/97/27/68/520972768.db2.gz CFFAZSSVBDKDBS-GOSISDBHSA-N 1 0 370.453 2.783 20 5 FFBDRO CC(C)C[NH2+]C1(CO)CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000596252207 520994812 /nfs/dbraw/zinc/99/48/12/520994812.db2.gz AJONVMOSGQURRI-UHFFFAOYSA-N 1 0 373.400 2.773 20 5 FFBDRO COc1ccc(C[N@H+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)cn1 ZINC000611140084 521005893 /nfs/dbraw/zinc/00/58/93/521005893.db2.gz XJNPIIFZRIOFFC-UHFFFAOYSA-N 1 0 358.398 2.767 20 5 FFBDRO Cn1ccnc1[C@H](NC[C@H]1CCCC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000599070063 521014033 /nfs/dbraw/zinc/01/40/33/521014033.db2.gz JWYAVICKUCSCLR-CRAIPNDOSA-N 1 0 357.458 2.739 20 5 FFBDRO CCC[C@H]([NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000599073082 521016864 /nfs/dbraw/zinc/01/68/64/521016864.db2.gz NTZIKEMDRTWFLS-GVDBMIGSSA-N 1 0 369.487 2.886 20 5 FFBDRO O=[N+]([O-])c1c2ccncc2ccc1N1CCC[C@]2(CCS(=O)(=O)C2)C1 ZINC000599084564 521023209 /nfs/dbraw/zinc/02/32/09/521023209.db2.gz UKJLIUDTIRBTAN-KRWDZBQOSA-N 1 0 361.423 2.548 20 5 FFBDRO C[C@H]([NH2+]C[C@@H]1CN(Cc2ccncc2)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000599087243 521024962 /nfs/dbraw/zinc/02/49/62/521024962.db2.gz GUXDHXJVCMTBBU-HNAYVOBHSA-N 1 0 356.426 2.541 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)nc1-c1ccccc1 ZINC000611181818 521027159 /nfs/dbraw/zinc/02/71/59/521027159.db2.gz KRISLMSWIFWTGK-FUHWJXTLSA-N 1 0 368.437 2.692 20 5 FFBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000611185037 521029759 /nfs/dbraw/zinc/02/97/59/521029759.db2.gz OOVYGDWAERFRHL-XLIONFOSSA-N 1 0 371.437 2.856 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCCc2cccc(C[NH3+])c21 ZINC000599102675 521033476 /nfs/dbraw/zinc/03/34/76/521033476.db2.gz OSYKOUILNLEPJO-UHFFFAOYSA-N 1 0 361.423 2.503 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000601977888 521052122 /nfs/dbraw/zinc/05/21/22/521052122.db2.gz VMRFMXBFHQQXEP-WCQYABFASA-N 1 0 369.849 2.910 20 5 FFBDRO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000593545674 521066456 /nfs/dbraw/zinc/06/64/56/521066456.db2.gz XTIAQGGUOUQGOT-PBHICJAKSA-N 1 0 361.417 2.752 20 5 FFBDRO Cc1cc(NCC(C)(C)[C@]2(O)CCCOC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000596535825 521122024 /nfs/dbraw/zinc/12/20/24/521122024.db2.gz SRVWWFOHXZOQEW-IBGZPJMESA-N 1 0 359.426 2.853 20 5 FFBDRO C[C@H](NC(=O)N1CCN(c2cc[nH+]cc2)CC1)c1ccccc1[N+](=O)[O-] ZINC000611375820 521125958 /nfs/dbraw/zinc/12/59/58/521125958.db2.gz RHNMZPFDKAQCSV-AWEZNQCLSA-N 1 0 355.398 2.583 20 5 FFBDRO CCO[C@H](C[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1)C1CC1 ZINC000599371671 521179447 /nfs/dbraw/zinc/17/94/47/521179447.db2.gz PEPOTCLLMOYNOP-GOSISDBHSA-N 1 0 373.457 2.798 20 5 FFBDRO O=C(N[C@H]1C[C@@H]([NH+]2CCCC2)C1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000602166274 521181291 /nfs/dbraw/zinc/18/12/91/521181291.db2.gz FTMWMWJBMWBIIJ-BETUJISGSA-N 1 0 357.332 2.970 20 5 FFBDRO O=C(N[C@H]1C[C@@H]([NH+]2CCCC2)C1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000602168640 521183340 /nfs/dbraw/zinc/18/33/40/521183340.db2.gz ZHIIRWXTDXMHBH-BETUJISGSA-N 1 0 368.231 2.714 20 5 FFBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000611528054 521205140 /nfs/dbraw/zinc/20/51/40/521205140.db2.gz WMSBKMKSUFNNRI-UHFFFAOYSA-N 1 0 360.458 2.905 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](Cc1cccs1)C[C@H]1CCCO1 ZINC000611568005 521222599 /nfs/dbraw/zinc/22/25/99/521222599.db2.gz JTEWIKLDGFIEIE-CQSZACIVSA-N 1 0 350.444 2.842 20 5 FFBDRO Cc1cc(C)c(S(=O)(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)cc1[N+](=O)[O-] ZINC000599464798 521239672 /nfs/dbraw/zinc/23/96/72/521239672.db2.gz TVUTWHRHMWLUJI-OAHLLOKOSA-N 1 0 367.471 2.507 20 5 FFBDRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3)C2)C1 ZINC000593912371 521287047 /nfs/dbraw/zinc/28/70/47/521287047.db2.gz MFIWEXNDOCMSBG-PEYYIBSZSA-N 1 0 367.833 2.607 20 5 FFBDRO C[C@H]1CCCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)[C@@H]1CC[NH3+] ZINC000593916825 521290598 /nfs/dbraw/zinc/29/05/98/521290598.db2.gz SCQMYPQFLQGMLZ-DOTOQJQBSA-N 1 0 374.485 2.787 20 5 FFBDRO C[NH2+]CCOCCNC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000599598941 521323086 /nfs/dbraw/zinc/32/30/86/521323086.db2.gz KBPCJUBEHUCDNJ-UHFFFAOYSA-N 1 0 374.397 2.745 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000599603469 521325956 /nfs/dbraw/zinc/32/59/56/521325956.db2.gz HPJYMKJWRHZBED-CMPLNLGQSA-N 1 0 360.336 2.894 20 5 FFBDRO Cc1c(NC(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)cc(Br)cc1[N+](=O)[O-] ZINC000599605868 521326990 /nfs/dbraw/zinc/32/69/90/521326990.db2.gz GBUUGNSMOWYONF-KCJUWKMLSA-N 1 0 371.235 2.928 20 5 FFBDRO C[N@@H+]1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC12CCCCC2 ZINC000593998384 521338378 /nfs/dbraw/zinc/33/83/78/521338378.db2.gz YWMKSKIGIVBBMO-UHFFFAOYSA-N 1 0 360.458 2.874 20 5 FFBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000611828821 521354168 /nfs/dbraw/zinc/35/41/68/521354168.db2.gz WXGKIQPGFMOLEZ-AWEZNQCLSA-N 1 0 350.419 2.989 20 5 FFBDRO CC[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@H]1CCCCO1 ZINC000594040133 521367157 /nfs/dbraw/zinc/36/71/57/521367157.db2.gz DKWKRPYFEKIPSN-GOEBONIOSA-N 1 0 365.430 2.869 20 5 FFBDRO CC[C@@H]([NH2+]CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000594042699 521368407 /nfs/dbraw/zinc/36/84/07/521368407.db2.gz NPADUKBAPPVKTP-RHSMWYFYSA-N 1 0 365.430 2.869 20 5 FFBDRO CC(C)OC(=O)C[C@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000594045899 521370046 /nfs/dbraw/zinc/37/00/46/521370046.db2.gz MQDFQHGBGLWGJH-INIZCTEOSA-N 1 0 365.430 2.514 20 5 FFBDRO CCOc1ccc(NC(=O)C[NH2+][C@H](CC)[C@@H]2CCCCO2)c([N+](=O)[O-])c1 ZINC000594044446 521370199 /nfs/dbraw/zinc/37/01/99/521370199.db2.gz QXQYLMVYKXGCFY-PBHICJAKSA-N 1 0 365.430 2.869 20 5 FFBDRO CSC[C@@H](CCO)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602556656 521410276 /nfs/dbraw/zinc/41/02/76/521410276.db2.gz LDHYYXOPNBGJHW-SSDOTTSWSA-N 1 0 355.279 2.622 20 5 FFBDRO COc1cccc(C[C@@H]([NH3+])C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000602516172 521389804 /nfs/dbraw/zinc/38/98/04/521389804.db2.gz JCSIJSUWJQFEFH-LJQANCHMSA-N 1 0 369.421 2.664 20 5 FFBDRO [NH3+]CCC1CCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000602517578 521391948 /nfs/dbraw/zinc/39/19/48/521391948.db2.gz GQDIHFUCOWGNOD-UHFFFAOYSA-N 1 0 356.220 2.558 20 5 FFBDRO [NH3+]C[C@H]1CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[C@@H]1C(F)(F)F ZINC000602540616 521402336 /nfs/dbraw/zinc/40/23/36/521402336.db2.gz LNKAHLYVVVLFBY-IUCAKERBSA-N 1 0 365.739 2.848 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000594098839 521403187 /nfs/dbraw/zinc/40/31/87/521403187.db2.gz WYPPQVOMXJFRFT-SOUVJXGZSA-N 1 0 364.446 2.831 20 5 FFBDRO CCCC(O)(CCC)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602550340 521407874 /nfs/dbraw/zinc/40/78/74/521407874.db2.gz AQFJBWSMBZFPDA-UHFFFAOYSA-N 1 0 350.463 2.880 20 5 FFBDRO Cc1cn2c(n1)C[C@H](C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)CC2 ZINC000599696944 521408833 /nfs/dbraw/zinc/40/88/33/521408833.db2.gz MNWDNUMLXKAVDI-OAHLLOKOSA-N 1 0 354.410 2.853 20 5 FFBDRO Cn1ncc(C(=O)OC(C)(C)C)c1C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000602559489 521410961 /nfs/dbraw/zinc/41/09/61/521410961.db2.gz ULIRKQFGGGHRTJ-UHFFFAOYSA-N 1 0 360.414 2.616 20 5 FFBDRO CC(C)(C)OC(=O)CCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602561226 521411742 /nfs/dbraw/zinc/41/17/42/521411742.db2.gz NPPVJROOWZXISV-UHFFFAOYSA-N 1 0 364.446 2.670 20 5 FFBDRO COC[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccc(C)o1 ZINC000602564692 521412993 /nfs/dbraw/zinc/41/29/93/521412993.db2.gz NTMCOXNATPRGRF-INIZCTEOSA-N 1 0 360.414 2.837 20 5 FFBDRO CC1(C)[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)[C@H]2CCCO[C@H]21 ZINC000602563421 521413101 /nfs/dbraw/zinc/41/31/01/521413101.db2.gz ZSYFXFVMARGFRC-KBAYOESNSA-N 1 0 360.458 2.752 20 5 FFBDRO [NH3+][C@H]1CCCCCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000602578783 521421022 /nfs/dbraw/zinc/42/10/22/521421022.db2.gz HADZNOHEJWCVTI-INIZCTEOSA-N 1 0 360.458 2.541 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CCCCC[C@@H]([NH3+])C2)cc1SC ZINC000602578682 521421808 /nfs/dbraw/zinc/42/18/08/521421808.db2.gz PNGGIZQQALLIPB-LLVKDONJSA-N 1 0 353.444 2.669 20 5 FFBDRO O=C(N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1cc([N+](=O)[O-])c[nH]1 ZINC000612037581 521449946 /nfs/dbraw/zinc/44/99/46/521449946.db2.gz HMOZFFKUWDQFSD-BPQIPLTHSA-N 1 0 368.437 2.953 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3CCCC34CCOCC4)CC2)cn1 ZINC000602653322 521458747 /nfs/dbraw/zinc/45/87/47/521458747.db2.gz PAHNNQZXOJUPBH-KRWDZBQOSA-N 1 0 360.458 2.898 20 5 FFBDRO COC(=O)c1cccc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1 ZINC000602659466 521464219 /nfs/dbraw/zinc/46/42/19/521464219.db2.gz OEGBWDOZHOTZBJ-UHFFFAOYSA-N 1 0 370.409 2.535 20 5 FFBDRO COCC[C@@H](COC)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602667660 521471121 /nfs/dbraw/zinc/47/11/21/521471121.db2.gz RVZDNQGNFCCUIB-QMMMGPOBSA-N 1 0 353.238 2.560 20 5 FFBDRO Cc1cccc2c1OC[C@H]([NH2+]C1CCN(c3ccc([N+](=O)[O-])nc3)CC1)C2 ZINC000602676407 521475116 /nfs/dbraw/zinc/47/51/16/521475116.db2.gz NNFCHPRZTGKHSF-QGZVFWFLSA-N 1 0 368.437 2.860 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CCCN4CCCC[C@@H]34)CC2)cn1 ZINC000602708498 521489928 /nfs/dbraw/zinc/48/99/28/521489928.db2.gz HWFLWNSMBLCCSA-MSOLQXFVSA-N 1 0 359.474 2.565 20 5 FFBDRO C[C@@H](O)[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccccc1 ZINC000602715820 521492961 /nfs/dbraw/zinc/49/29/61/521492961.db2.gz OTXBOWRWWXFZAI-AUUYWEPGSA-N 1 0 356.426 2.670 20 5 FFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1CN1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000602722110 521496483 /nfs/dbraw/zinc/49/64/83/521496483.db2.gz MQFVZFKJHHXXQZ-OAHLLOKOSA-N 1 0 373.375 2.645 20 5 FFBDRO CC(C)[NH2+]C1CCN(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)CC1 ZINC000597094981 521501671 /nfs/dbraw/zinc/50/16/71/521501671.db2.gz MVCWTMSYVTYYCD-UHFFFAOYSA-N 1 0 355.826 2.825 20 5 FFBDRO C[C@@H](NC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N)C1=CC[N@H+](C)CC1 ZINC000597101832 521507605 /nfs/dbraw/zinc/50/76/05/521507605.db2.gz UXCAWBJXQJAYIZ-SECBINFHSA-N 1 0 353.810 2.602 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000602787091 521531252 /nfs/dbraw/zinc/53/12/52/521531252.db2.gz OHASKZBFISWKLC-AWEZNQCLSA-N 1 0 352.435 2.544 20 5 FFBDRO O=C1CC[C@H]2C[N@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)CC[C@@H]2N1 ZINC000597204733 521573542 /nfs/dbraw/zinc/57/35/42/521573542.db2.gz FTIYXYURHZAXIG-BBRMVZONSA-N 1 0 355.394 2.955 20 5 FFBDRO O=C(NCC12CCC[NH+]1CCC2)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000619573991 521777022 /nfs/dbraw/zinc/77/70/22/521777022.db2.gz ITMZZPFHLHFWIS-UHFFFAOYSA-N 1 0 358.442 2.553 20 5 FFBDRO CC(C)(C)[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1 ZINC000072580503 535056487 /nfs/dbraw/zinc/05/64/87/535056487.db2.gz BDVJWWKHSGZKRW-CVEARBPZSA-N 1 0 350.394 2.668 20 5 FFBDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2)cc1[N+](=O)[O-] ZINC000737092568 598386648 /nfs/dbraw/zinc/38/66/48/598386648.db2.gz MURJTAWNMIEUOU-NSHDSACASA-N 1 0 354.370 2.634 20 5 FFBDRO O=[N+]([O-])c1ccc(NCCCCC[NH+]2CCCCC2)c(-c2nn[nH]n2)c1 ZINC000738371859 598679199 /nfs/dbraw/zinc/67/91/99/598679199.db2.gz YFULZSWJHFNOFE-UHFFFAOYSA-N 1 0 359.434 2.843 20 5 FFBDRO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1NC1CCC([NH+]2CCCCC2)CC1 ZINC000823629954 606201240 /nfs/dbraw/zinc/20/12/40/606201240.db2.gz NQPIEGPDQXGHQV-UHFFFAOYSA-N 1 0 371.445 2.984 20 5 FFBDRO Cc1ccc([C@H](C)[NH2+]CCOc2cccc(-c3nn[nH]n3)c2)cc1[N+](=O)[O-] ZINC000826283256 608554117 /nfs/dbraw/zinc/55/41/17/608554117.db2.gz NMUFKISHOCKCCA-ZDUSSCGKSA-N 1 0 368.397 2.813 20 5 FFBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824607570 609154803 /nfs/dbraw/zinc/15/48/03/609154803.db2.gz ZZGBIKVMQDFVCV-NSHDSACASA-N 1 0 356.361 2.807 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164727974 720334969 /nfs/dbraw/zinc/33/49/69/720334969.db2.gz VBYBQTGYGFJGHJ-LSDHHAIUSA-N 1 0 359.817 2.891 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)cc(N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164723937 720368069 /nfs/dbraw/zinc/36/80/69/720368069.db2.gz IDIJMOKSVQGAQY-LSDHHAIUSA-N 1 0 359.817 2.891 20 5 FFBDRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2ccc3ccc([N+](=O)[O-])cc3n2)C1 ZINC001164729415 720511858 /nfs/dbraw/zinc/51/18/58/720511858.db2.gz NHYXYMVHLRSFGE-AWEZNQCLSA-N 1 0 366.425 2.538 20 5 FFBDRO Cc1ncc([N+](=O)[O-])c(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)n1 ZINC001164952514 722016567 /nfs/dbraw/zinc/01/65/67/722016567.db2.gz MQIGHJVTOPBUTK-UHFFFAOYSA-N 1 0 368.441 2.581 20 5 FFBDRO O=[N+]([O-])c1cc(CN2CCCC[C@H]2CN2CCOCC2)ccc1Cl ZINC000153902474 728790759 /nfs/dbraw/zinc/79/07/59/728790759.db2.gz HRHNCQKFAYWKKA-HNNXBMFYSA-N 1 0 353.850 2.935 20 5 FFBDRO C[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000155109303 728820895 /nfs/dbraw/zinc/82/08/95/728820895.db2.gz KSYNAECZDQERRV-JTQLQIEISA-N 1 0 371.235 2.821 20 5 FFBDRO CC[N@H+](C)C[C@@H]1CCN([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000072858615 728214371 /nfs/dbraw/zinc/21/43/71/728214371.db2.gz ASEBSZALYGYAPA-STQMWFEESA-N 1 0 368.865 2.849 20 5 FFBDRO CC(C)(C)OC(=O)N[C@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000106868039 728512723 /nfs/dbraw/zinc/51/27/23/728512723.db2.gz LPSAQAHUIDSUTO-ZDUSSCGKSA-N 1 0 351.403 2.573 20 5 FFBDRO C[NH+](C)CC[C@H](NC(=O)COc1ccc([N+](=O)[O-])c(F)c1)C(C)(C)C ZINC000116129546 728569810 /nfs/dbraw/zinc/56/98/10/728569810.db2.gz CDYVCIJLDASRIR-HNNXBMFYSA-N 1 0 355.410 2.595 20 5 FFBDRO C[N@H+](CCC1CCOCC1)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000120651167 728614005 /nfs/dbraw/zinc/61/40/05/728614005.db2.gz HIOAHHJYDDYBCD-UHFFFAOYSA-N 1 0 355.822 2.935 20 5 FFBDRO C[NH+](C)CCn1cc(NC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cn1 ZINC000139186432 728741060 /nfs/dbraw/zinc/74/10/60/728741060.db2.gz LTGGEECPTLQLDK-UHFFFAOYSA-N 1 0 352.782 2.650 20 5 FFBDRO C[N@@H+]1CCC[C@@H]2CN(CC(=O)Nc3cc(Cl)ccc3[N+](=O)[O-])CC[C@@H]21 ZINC000139877285 728741336 /nfs/dbraw/zinc/74/13/36/728741336.db2.gz FOAXGAVVTZMTKH-DOMZBBRYSA-N 1 0 366.849 2.603 20 5 FFBDRO O=C(CN1CCC[C@H]1C[NH+]1CCCC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000171708275 729010872 /nfs/dbraw/zinc/01/08/72/729010872.db2.gz DMZFAWZCBAZVSN-AWEZNQCLSA-N 1 0 366.849 2.747 20 5 FFBDRO C[C@@H](CNC(=O)OC(C)(C)C)[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000171955680 729016912 /nfs/dbraw/zinc/01/69/12/729016912.db2.gz DRUZQUCBLGXFSF-ZDUSSCGKSA-N 1 0 353.419 2.819 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N(C)CC[C@H]([NH3+])C(C)C)c1 ZINC000193303625 729473953 /nfs/dbraw/zinc/47/39/53/729473953.db2.gz PKSJBOKLFBVZDG-NSHDSACASA-N 1 0 363.867 2.551 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)cc1Cl ZINC000856431022 730336417 /nfs/dbraw/zinc/33/64/17/730336417.db2.gz OEXKZUUCMWXDGN-ZDUSSCGKSA-N 1 0 369.849 2.739 20 5 FFBDRO Cc1cc(Cl)c(C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000856429254 730336424 /nfs/dbraw/zinc/33/64/24/730336424.db2.gz FSSAXJJTMKCZBU-CYBMUJFWSA-N 1 0 369.849 2.739 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000857303015 730390153 /nfs/dbraw/zinc/39/01/53/730390153.db2.gz JVOLORSKIXXZRI-SNVBAGLBSA-N 1 0 370.247 2.960 20 5 FFBDRO CCCN(C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000857762967 730409271 /nfs/dbraw/zinc/40/92/71/730409271.db2.gz JXBYEOFZDIYNFP-UHFFFAOYSA-N 1 0 357.357 2.557 20 5 FFBDRO COc1ccc(NC(=O)CC[NH2+][C@@H](C)c2ccns2)c([N+](=O)[O-])c1 ZINC000860055312 730474585 /nfs/dbraw/zinc/47/45/85/730474585.db2.gz VADLXHNMTOKEKC-JTQLQIEISA-N 1 0 350.400 2.739 20 5 FFBDRO C[C@@H](C[N@H+](C)CCOc1ccccc1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000860098867 730476352 /nfs/dbraw/zinc/47/63/52/730476352.db2.gz TZKHPGNVKRRTAD-ZDUSSCGKSA-N 1 0 353.419 2.819 20 5 FFBDRO C[C@@](O)(C1CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1)C(F)(F)F ZINC000767907006 737381418 /nfs/dbraw/zinc/38/14/18/737381418.db2.gz JSQUIOYVCIBMPI-LSDHHAIUSA-N 1 0 362.348 2.654 20 5 FFBDRO CC(C)[N@H+](C)CC1CCN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000865012648 730902650 /nfs/dbraw/zinc/90/26/50/730902650.db2.gz IBFXVDXERJPWJZ-UHFFFAOYSA-N 1 0 351.422 2.855 20 5 FFBDRO Cc1c(Br)c(N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)ncc1[N+](=O)[O-] ZINC000866209448 731040866 /nfs/dbraw/zinc/04/08/66/731040866.db2.gz SAILVMWUBUIYIN-WDEREUQCSA-N 1 0 355.236 2.591 20 5 FFBDRO Cc1c(Br)c(N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)ncc1[N+](=O)[O-] ZINC000866209447 731040975 /nfs/dbraw/zinc/04/09/75/731040975.db2.gz SAILVMWUBUIYIN-QWRGUYRKSA-N 1 0 355.236 2.591 20 5 FFBDRO Cn1cc(C(F)F)c(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000866565995 731074612 /nfs/dbraw/zinc/07/46/12/731074612.db2.gz WFHYQCRMMSFICY-DGCLKSJQSA-N 1 0 354.361 2.736 20 5 FFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000872119338 731731335 /nfs/dbraw/zinc/73/13/35/731731335.db2.gz PZODDCNTPCCNIO-OKSWLAIDSA-N 1 0 370.446 2.610 20 5 FFBDRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000874831655 732104850 /nfs/dbraw/zinc/10/48/50/732104850.db2.gz ADNZDQMANBLELV-RYUDHWBXSA-N 1 0 355.341 2.505 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)cc1SC ZINC000874835767 732105474 /nfs/dbraw/zinc/10/54/74/732105474.db2.gz ADXAQSOGIOANTC-OLZOCXBDSA-N 1 0 365.455 2.634 20 5 FFBDRO O=C(Cc1cccc2c1CC[NH2+]C2)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000876702867 732270372 /nfs/dbraw/zinc/27/03/72/732270372.db2.gz GGEGBOLOBZDDBN-UHFFFAOYSA-N 1 0 359.813 2.753 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC(C)(C)C[NH2+]2)cc1SC ZINC000877155991 732329624 /nfs/dbraw/zinc/32/96/24/732329624.db2.gz MLJBIFFRUAMWTM-NSHDSACASA-N 1 0 367.471 2.833 20 5 FFBDRO CSc1ccc(C(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000877367718 732353032 /nfs/dbraw/zinc/35/30/32/732353032.db2.gz QDNZVSJFASDNKX-VHSXEESVSA-N 1 0 363.361 2.526 20 5 FFBDRO Cn1c(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)nc2cccc(Cl)c21 ZINC000877408696 732358672 /nfs/dbraw/zinc/35/86/72/732358672.db2.gz QMQZCJBSSMHNLF-UHFFFAOYSA-N 1 0 360.805 2.825 20 5 FFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CCOc3ccc(Cl)c(F)c3)C2)c1 ZINC000877566549 732388931 /nfs/dbraw/zinc/38/89/31/732388931.db2.gz ZVTOJPAAZIMAGR-UHFFFAOYSA-N 1 0 354.769 2.956 20 5 FFBDRO CN(CC[NH+]1CC2(C1)CCOCC2)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000877765657 732425882 /nfs/dbraw/zinc/42/58/82/732425882.db2.gz NSMYYFQZIWCYLS-UHFFFAOYSA-N 1 0 353.850 2.792 20 5 FFBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@H](O)c1cc(Br)no1 ZINC000878598233 732562410 /nfs/dbraw/zinc/56/24/10/732562410.db2.gz AKAMYLXXSGSFRB-LBPRGKRZSA-N 1 0 370.203 2.553 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(C[N@@H+]2CC[C@H]3COC[C@@H]3C2)o1 ZINC000878991191 732627914 /nfs/dbraw/zinc/62/79/14/732627914.db2.gz VSVOYSCVMUBRIB-QWRGUYRKSA-N 1 0 364.789 2.767 20 5 FFBDRO C[C@@](CO)([NH2+]C[C@@H](O)c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000879270719 732676385 /nfs/dbraw/zinc/67/63/85/732676385.db2.gz AGKKDPZQTSSDGE-SJORKVTESA-N 1 0 350.802 2.779 20 5 FFBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@@H]3CSC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000879560972 732723014 /nfs/dbraw/zinc/72/30/14/732723014.db2.gz JSVSCEVMOKQDBT-CHWSQXEVSA-N 1 0 365.455 2.617 20 5 FFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879574815 732727441 /nfs/dbraw/zinc/72/74/41/732727441.db2.gz GUKFXXPCEYUUOS-BFQNTYOBSA-N 1 0 366.849 2.601 20 5 FFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCC2(CC1)COCCO2 ZINC000880542621 732921952 /nfs/dbraw/zinc/92/19/52/732921952.db2.gz ITBGNFVZZHOVDB-UHFFFAOYSA-N 1 0 350.415 2.763 20 5 FFBDRO CN(CCCC[NH+]1CCCCC1)S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000882798405 733296855 /nfs/dbraw/zinc/29/68/55/733296855.db2.gz JXZVLWLNLHBWAG-UHFFFAOYSA-N 1 0 361.489 2.543 20 5 FFBDRO COC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1Br)[C@@H]1CCCOC1 ZINC000886916288 733858694 /nfs/dbraw/zinc/85/86/94/733858694.db2.gz RMMAABQWDPGMDO-OLZOCXBDSA-N 1 0 373.247 2.889 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2nc(-c3cn(C[C@H]4CCC[NH2+]4)nn3)cs2)c1 ZINC000887407603 733924699 /nfs/dbraw/zinc/92/46/99/733924699.db2.gz KBRUPWLIJVTGFV-GFCCVEGCSA-N 1 0 356.411 2.729 20 5 FFBDRO C[C@H]1CN(Cc2ccc([N+](=O)[O-])c(Cl)c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000783573759 738815763 /nfs/dbraw/zinc/81/57/63/738815763.db2.gz KUOJVRXBYGLFIX-YOEHRIQHSA-N 1 0 366.893 2.706 20 5 FFBDRO Cc1ccc([C@@H](C)NC(=O)NC[C@@H]2C[NH2+]CCC2(F)F)cc1[N+](=O)[O-] ZINC000891650620 734456706 /nfs/dbraw/zinc/45/67/06/734456706.db2.gz TXIZIAHTWAKFAI-YPMHNXCESA-N 1 0 356.373 2.508 20 5 FFBDRO CC(C)(C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12)c1ccccc1[N+](=O)[O-] ZINC000928079377 738816943 /nfs/dbraw/zinc/81/69/43/738816943.db2.gz IOMJWIRWDDRDDB-GOEBONIOSA-N 1 0 363.483 2.568 20 5 FFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CO)C[C@@H](O)c2ccccc2)cc1Cl ZINC000783648850 738822796 /nfs/dbraw/zinc/82/27/96/738822796.db2.gz ASENCVDMCOCVQU-RHSMWYFYSA-N 1 0 350.802 2.822 20 5 FFBDRO COc1c(O)ccc(C[NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)c1[N+](=O)[O-] ZINC000893277501 734679210 /nfs/dbraw/zinc/67/92/10/734679210.db2.gz YZAHZECLQDDSIR-IXPVHAAZSA-N 1 0 356.469 2.778 20 5 FFBDRO COc1c(O)ccc(C[N@@H+]2CCC[C@H](C[C@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC000894484071 734866808 /nfs/dbraw/zinc/86/68/08/734866808.db2.gz BJDGXHNMVWFLDO-ZIAGYGMSSA-N 1 0 350.415 2.948 20 5 FFBDRO COCCOC1(C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CCOCC1 ZINC000894672071 734898842 /nfs/dbraw/zinc/89/88/42/734898842.db2.gz GRIZZVJRNOMGCN-UHFFFAOYSA-N 1 0 358.822 2.550 20 5 FFBDRO CC[C@@H](C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[NH+](CC)CC ZINC000741032360 735111625 /nfs/dbraw/zinc/11/16/25/735111625.db2.gz IZOPTIHWSQEGET-AWEZNQCLSA-N 1 0 371.821 2.850 20 5 FFBDRO CS(=O)(=O)C1CCC(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000896255822 735126395 /nfs/dbraw/zinc/12/63/95/735126395.db2.gz OPJXQKRMPPRYMD-UHFFFAOYSA-N 1 0 360.863 2.941 20 5 FFBDRO CCn1cnc2c1CCN(Cc1cc([N+](=O)[O-])ccc1OC(F)F)C2 ZINC000897336945 735221046 /nfs/dbraw/zinc/22/10/46/735221046.db2.gz SCFMYCQPKUOUGY-UHFFFAOYSA-N 1 0 352.341 2.971 20 5 FFBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cc(Cl)c(F)c([N+](=O)[O-])c3)CC[C@@H]21 ZINC000901105967 735745057 /nfs/dbraw/zinc/74/50/57/735745057.db2.gz WZITTXZVFBIVMU-MFKMUULPSA-N 1 0 355.797 2.944 20 5 FFBDRO CCOC(=O)CCC1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000750117385 735770758 /nfs/dbraw/zinc/77/07/58/735770758.db2.gz VRVDTZBLJDXBLJ-KRWDZBQOSA-N 1 0 350.415 2.684 20 5 FFBDRO COc1cc([C@H](C)[NH2+][C@H](CO)[C@H]2CCC[C@H](OC)C2)cc([N+](=O)[O-])c1 ZINC000903201061 736054225 /nfs/dbraw/zinc/05/42/25/736054225.db2.gz WLHVUNHDMMCFJG-RASHJEQFSA-N 1 0 352.431 2.820 20 5 FFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1cn(C)nc1OC ZINC000903337400 736077220 /nfs/dbraw/zinc/07/72/20/736077220.db2.gz JUVYGZHLXMYUIV-ZDUSSCGKSA-N 1 0 350.444 2.997 20 5 FFBDRO COc1ccc(OCC[NH2+][C@H](CCO)c2cccs2)c([N+](=O)[O-])c1 ZINC000754382716 736153948 /nfs/dbraw/zinc/15/39/48/736153948.db2.gz HKHLPSYUOSWGDW-CYBMUJFWSA-N 1 0 352.412 2.757 20 5 FFBDRO Cc1cc(Cc2noc(C(F)(F)C3CC[NH2+]CC3)n2)ccc1[N+](=O)[O-] ZINC000904628904 736263043 /nfs/dbraw/zinc/26/30/43/736263043.db2.gz XPEUYNHLWSDOGD-UHFFFAOYSA-N 1 0 352.341 2.968 20 5 FFBDRO CC(C)(C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC(F)F ZINC000905423695 736339281 /nfs/dbraw/zinc/33/92/81/736339281.db2.gz SVGMKSWATOXPNL-UHFFFAOYSA-N 1 0 350.387 2.640 20 5 FFBDRO C[C@H](C[NH2+]C[C@H](O)COCc1cccs1)c1ccccc1[N+](=O)[O-] ZINC000905641129 736374363 /nfs/dbraw/zinc/37/43/63/736374363.db2.gz AZWLAHQKMDKBJG-KGLIPLIRSA-N 1 0 350.440 2.927 20 5 FFBDRO C[C@@H](C[NH2+]C[C@H](O)COCc1cccs1)c1ccccc1[N+](=O)[O-] ZINC000905641127 736374419 /nfs/dbraw/zinc/37/44/19/736374419.db2.gz AZWLAHQKMDKBJG-KBPBESRZSA-N 1 0 350.440 2.927 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CC[C@@H]2CCC(F)(F)C2)cc1 ZINC000905674281 736380330 /nfs/dbraw/zinc/38/03/30/736380330.db2.gz HCBBVNREUJRRSD-LBPRGKRZSA-N 1 0 362.398 2.784 20 5 FFBDRO O=C(NCCC[NH+]1CCCCC1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000757109670 736392772 /nfs/dbraw/zinc/39/27/72/736392772.db2.gz HUJUXZLBTCWIGT-UHFFFAOYSA-N 1 0 354.838 2.923 20 5 FFBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC000908191294 736738136 /nfs/dbraw/zinc/73/81/36/736738136.db2.gz SQIDFPBWQSCMTM-GWCFXTLKSA-N 1 0 352.822 2.529 20 5 FFBDRO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C ZINC000762279323 736810259 /nfs/dbraw/zinc/81/02/59/736810259.db2.gz IPUGEDSXZALRPF-LLVKDONJSA-N 1 0 363.867 2.565 20 5 FFBDRO CCCN(CC[NH+](CC)CC)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000763770075 736967612 /nfs/dbraw/zinc/96/76/12/736967612.db2.gz UWVMWCOXMWNMQR-UHFFFAOYSA-N 1 0 352.391 2.697 20 5 FFBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+]C2CCCCCCC2)c1 ZINC000765400015 737114960 /nfs/dbraw/zinc/11/49/60/737114960.db2.gz CVCMPULRIJZAGZ-UHFFFAOYSA-N 1 0 355.460 2.576 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])c(N2CC[NH+](C3CCC3)CC2)cc1Cl ZINC000765502904 737125806 /nfs/dbraw/zinc/12/58/06/737125806.db2.gz HWIGXPPLLOFLMQ-UHFFFAOYSA-N 1 0 353.806 2.709 20 5 FFBDRO CC(C)c1n[nH]c(C(=O)N2CCCC[C@@H]2[C@H](C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000912810575 737342949 /nfs/dbraw/zinc/34/29/49/737342949.db2.gz WIUBJKPXKKSNNK-CHWSQXEVSA-N 1 0 351.451 2.634 20 5 FFBDRO O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912917929 737356860 /nfs/dbraw/zinc/35/68/60/737356860.db2.gz QMNRCJLAPDOGRS-AWEZNQCLSA-N 1 0 358.423 2.639 20 5 FFBDRO COC[C@@H]1CCCC[N@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000767948140 737385271 /nfs/dbraw/zinc/38/52/71/737385271.db2.gz LJCDZAXENUWBAR-GFCCVEGCSA-N 1 0 355.822 2.935 20 5 FFBDRO O=C(NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)C1CC[NH+](C2CC2)CC1 ZINC000913384687 737396645 /nfs/dbraw/zinc/39/66/45/737396645.db2.gz BUCMDYYLZKZILL-UHFFFAOYSA-N 1 0 355.797 2.878 20 5 FFBDRO COc1ccc(C[N@H+](C)C[C@@H](C)NC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000785468821 738966448 /nfs/dbraw/zinc/96/64/48/738966448.db2.gz NNOYIIAAWXAHNF-GFCCVEGCSA-N 1 0 353.419 2.948 20 5 FFBDRO CC1([NH+]2CCCC2)CCN(C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)CC1 ZINC000913647367 737426130 /nfs/dbraw/zinc/42/61/30/737426130.db2.gz NUJNTLJVFSYKHP-UHFFFAOYSA-N 1 0 366.849 2.921 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000771762313 737753457 /nfs/dbraw/zinc/75/34/57/737753457.db2.gz OCSOSCYBOWEZPE-STQMWFEESA-N 1 0 373.450 2.536 20 5 FFBDRO COC(=O)C(C)(C)[C@@H]1CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000772374290 737807106 /nfs/dbraw/zinc/80/71/06/737807106.db2.gz MNQKSTUPOHHRAD-GDBMZVCRSA-N 1 0 350.415 2.539 20 5 FFBDRO CC[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CCOCC1 ZINC000776029410 738153857 /nfs/dbraw/zinc/15/38/57/738153857.db2.gz KUXFBRKAWDNRPL-CQSZACIVSA-N 1 0 355.822 2.982 20 5 FFBDRO O=[N+]([O-])c1ccc(Cl)c(CNC2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000776173854 738167947 /nfs/dbraw/zinc/16/79/47/738167947.db2.gz BIDPCHXZQJDIKX-MRXNPFEDSA-N 1 0 353.850 2.981 20 5 FFBDRO C[C@@H](C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)N1CCc2sccc2C1 ZINC000776273767 738176688 /nfs/dbraw/zinc/17/66/88/738176688.db2.gz ADWOXEVOSKFOLK-SUMWQHHRSA-N 1 0 361.467 2.726 20 5 FFBDRO CCO[C@H](CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)C[NH+](C)C ZINC000922757133 738196641 /nfs/dbraw/zinc/19/66/41/738196641.db2.gz RGQVGSQAUWMFPF-MRXNPFEDSA-N 1 0 364.471 2.775 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N2[C@@H]3CC[C@H]2C[N@H+](C)CC3)cc1SC ZINC000923292141 738266818 /nfs/dbraw/zinc/26/68/18/738266818.db2.gz URHUBYBPWCFOST-NEPJUHHUSA-N 1 0 365.455 2.634 20 5 FFBDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000778219470 738364927 /nfs/dbraw/zinc/36/49/27/738364927.db2.gz FPSCXILVSONUEP-NSHDSACASA-N 1 0 363.443 2.594 20 5 FFBDRO C[NH+](C)Cc1ccccc1NC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000778231322 738365401 /nfs/dbraw/zinc/36/54/01/738365401.db2.gz DSWYNJNYUASLMA-UHFFFAOYSA-N 1 0 357.395 2.913 20 5 FFBDRO C[C@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000785547488 738976120 /nfs/dbraw/zinc/97/61/20/738976120.db2.gz YVVDULVJDZARHN-WQGACYEGSA-N 1 0 353.394 2.544 20 5 FFBDRO CCOC(=O)C1([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)CCOCC1 ZINC000933885472 739701043 /nfs/dbraw/zinc/70/10/43/739701043.db2.gz ZBOSFMVRESHXDV-LBPRGKRZSA-N 1 0 354.378 2.572 20 5 FFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(CN=[S@](C)(=O)N(C)C)CC1 ZINC000934749667 739831836 /nfs/dbraw/zinc/83/18/36/739831836.db2.gz HXDXVZVUGOYVGT-SXBQZSJRSA-N 1 0 368.503 2.942 20 5 FFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(CN=[S@](C)(=O)N(C)C)CC1 ZINC000934752720 739832374 /nfs/dbraw/zinc/83/23/74/739832374.db2.gz AHQDHAZWIPNOII-SXBQZSJRSA-N 1 0 368.503 2.942 20 5 FFBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cc(Cl)c(F)c([N+](=O)[O-])c3N)CC[C@@H]21 ZINC000934892544 739862394 /nfs/dbraw/zinc/86/23/94/739862394.db2.gz XVMLUSMOGMKLCE-SKDRFNHKSA-N 1 0 370.812 2.526 20 5 FFBDRO C[NH+]1CCC2(CCCN2C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)CC1 ZINC000935188548 739909795 /nfs/dbraw/zinc/90/97/95/739909795.db2.gz BJVXZAUNAMVBBR-UHFFFAOYSA-N 1 0 370.812 2.670 20 5 FFBDRO C[C@H](NC(=O)CCc1c(Cl)cccc1[N+](=O)[O-])C1=CC[N@H+](C)CC1 ZINC000935311927 739930532 /nfs/dbraw/zinc/93/05/32/739930532.db2.gz GPVMFGRERUELMC-LBPRGKRZSA-N 1 0 351.834 2.947 20 5 FFBDRO CC[C@H]1C[N@H+](C)CCCN1C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC000935775865 740009036 /nfs/dbraw/zinc/00/90/36/740009036.db2.gz NQFFTMUAPWOXQA-VIFPVBQESA-N 1 0 358.801 2.526 20 5 FFBDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000796329960 740132604 /nfs/dbraw/zinc/13/26/04/740132604.db2.gz LZWSRCLTKOGOGW-OORQEUNZSA-N 1 0 365.817 2.542 20 5 FFBDRO CC(C)[C@@H](C(=O)OCc1ccc(Br)c([N+](=O)[O-])c1)[NH+](C)C ZINC000803496415 740804699 /nfs/dbraw/zinc/80/46/99/740804699.db2.gz CTAZRWOKDULJQC-ZDUSSCGKSA-N 1 0 359.220 2.987 20 5 FFBDRO Cc1ccc(NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c([N+](=O)[O-])c1Br ZINC000804397632 740868941 /nfs/dbraw/zinc/86/89/41/740868941.db2.gz ZXWNVOBOFGMAEE-NEPJUHHUSA-N 1 0 370.247 2.941 20 5 FFBDRO Cc1ccc(NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c([N+](=O)[O-])c1Br ZINC000804397637 740869087 /nfs/dbraw/zinc/86/90/87/740869087.db2.gz ZXWNVOBOFGMAEE-RYUDHWBXSA-N 1 0 370.247 2.941 20 5 FFBDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3cc(Cl)ccc3[N+](=O)[O-])[C@@H]2C1 ZINC000808782692 741260441 /nfs/dbraw/zinc/26/04/41/741260441.db2.gz BGERXVXBOSZWJU-MAZHCROVSA-N 1 0 351.834 2.985 20 5 FFBDRO C[N@H+](Cc1cccc(F)c1Cl)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985426233 741395040 /nfs/dbraw/zinc/39/50/40/741395040.db2.gz NVGGGGQEMHKZGS-UKRRQHHQSA-N 1 0 369.824 2.567 20 5 FFBDRO C[C@@H]1C[C@H](C)N(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000818023313 742231454 /nfs/dbraw/zinc/23/14/54/742231454.db2.gz IPCMQNVREKTBHH-SCVCMEIPSA-N 1 0 357.813 2.762 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCc2cc(C(F)(F)F)ccn2)c1 ZINC000819333408 742376340 /nfs/dbraw/zinc/37/63/40/742376340.db2.gz JQBFXCSIEUKXAG-OAHLLOKOSA-N 1 0 355.316 2.874 20 5 FFBDRO CC[C@@H](C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)NC(=O)OC(C)(C)C ZINC000819342189 742378936 /nfs/dbraw/zinc/37/89/36/742378936.db2.gz PENMBTSRQYARTR-DZGCQCFKSA-N 1 0 353.419 2.521 20 5 FFBDRO CC(C)(C)OC(=O)C(C)(C)CC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819384387 742384105 /nfs/dbraw/zinc/38/41/05/742384105.db2.gz XXPCGFVSRJVQSW-OAHLLOKOSA-N 1 0 352.431 2.976 20 5 FFBDRO O=C(Nc1cccc([N+](=O)[O-])c1Cl)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000823253921 742865600 /nfs/dbraw/zinc/86/56/00/742865600.db2.gz RFRYJPHSWFDFIY-GFCCVEGCSA-N 1 0 368.821 2.623 20 5 FFBDRO CC[C@](C)(C(=O)OC)[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CC1CC1 ZINC000823503511 742928597 /nfs/dbraw/zinc/92/85/97/742928597.db2.gz UGGZPJWUNDKVDP-SJLPKXTDSA-N 1 0 350.415 2.682 20 5 FFBDRO COCC[N@H+]1[C@H](C)CN(c2nc3ccc([N+](=O)[O-])cc3s2)C[C@@H]1C ZINC000826629281 743410063 /nfs/dbraw/zinc/41/00/63/743410063.db2.gz OJWDKDJOAADSBZ-TXEJJXNPSA-N 1 0 350.444 2.750 20 5 FFBDRO Cc1ccc(NCC[NH+]2CCC(O)CC2)c([N+](=O)[O-])c1Br ZINC000829282799 745188345 /nfs/dbraw/zinc/18/83/45/745188345.db2.gz BLGGQNGYEHBCKP-UHFFFAOYSA-N 1 0 358.236 2.534 20 5 FFBDRO O=C(C[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000831159706 745492458 /nfs/dbraw/zinc/49/24/58/745492458.db2.gz XZCFWIUIDYJQNJ-JGGQBBKZSA-N 1 0 367.833 2.812 20 5 FFBDRO CC(C)(CN1CCCC1)[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000832761069 745750904 /nfs/dbraw/zinc/75/09/04/745750904.db2.gz HMMNJOPLCCTKIU-UHFFFAOYSA-N 1 0 352.410 2.527 20 5 FFBDRO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC2(C1)CC[NH2+]CC2 ZINC000834448790 745840437 /nfs/dbraw/zinc/84/04/37/745840437.db2.gz XNMWMVIODXUYLW-UHFFFAOYSA-N 1 0 368.231 2.573 20 5 FFBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000838148716 746584383 /nfs/dbraw/zinc/58/43/83/746584383.db2.gz KGRFDDSWTYJSGN-NSHDSACASA-N 1 0 357.813 2.778 20 5 FFBDRO CCC(CC)(CC(=O)OC)[NH2+]CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839519683 746845518 /nfs/dbraw/zinc/84/55/18/746845518.db2.gz ATDSSXBMBONFNQ-UHFFFAOYSA-N 1 0 371.821 2.898 20 5 FFBDRO CO[C@](C)([C@@H](C)[NH2+]CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C1CC1 ZINC000839638106 746877977 /nfs/dbraw/zinc/87/79/77/746877977.db2.gz HPJZPADSXFCIPF-QLJPJBMISA-N 1 0 355.822 2.980 20 5 FFBDRO CC(C)[C@@H](C(=O)OCc1cccc([N+](=O)[O-])c1Br)[NH+](C)C ZINC000840520688 747113800 /nfs/dbraw/zinc/11/38/00/747113800.db2.gz HLTHHTAHSIEIPO-ZDUSSCGKSA-N 1 0 359.220 2.987 20 5 FFBDRO [NH3+]C[C@H](NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)C1CCCC1 ZINC000841161148 747284339 /nfs/dbraw/zinc/28/43/39/747284339.db2.gz KGTKCWWNLXZTKF-LBPRGKRZSA-N 1 0 371.235 2.996 20 5 FFBDRO C[C@H](CCCC[NH3+])NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841162324 747285031 /nfs/dbraw/zinc/28/50/31/747285031.db2.gz UHDMLBPHPYIYSY-SECBINFHSA-N 1 0 359.224 2.996 20 5 FFBDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000841161907 747285084 /nfs/dbraw/zinc/28/50/84/747285084.db2.gz PTEXOYJTXZKKJJ-VHSXEESVSA-N 1 0 371.235 2.948 20 5 FFBDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000841161882 747285115 /nfs/dbraw/zinc/28/51/15/747285115.db2.gz OWSGTDPGQOZSHF-RKDXNWHRSA-N 1 0 357.208 2.606 20 5 FFBDRO Cc1cc(S(=O)(=O)NCc2ccc([C@@H](C)[NH3+])cc2)cc([N+](=O)[O-])c1F ZINC000842733847 747672505 /nfs/dbraw/zinc/67/25/05/747672505.db2.gz ALVNFBINVRLTTF-LLVKDONJSA-N 1 0 367.402 2.541 20 5 FFBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000843452731 747838710 /nfs/dbraw/zinc/83/87/10/747838710.db2.gz XHCSAEJXKJZORF-XHDPSFHLSA-N 1 0 369.824 2.920 20 5 FFBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000843484005 747843445 /nfs/dbraw/zinc/84/34/45/747843445.db2.gz GWMCFPOFIXYRGP-NWDGAFQWSA-N 1 0 369.824 2.778 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+]CC[C@@]2(C)C[C@@]2(F)Cl)cc1[N+](=O)[O-] ZINC000846030867 748389304 /nfs/dbraw/zinc/38/93/04/748389304.db2.gz DVTDRHQBDAVIMK-HOTGVXAUSA-N 1 0 374.796 2.941 20 5 FFBDRO O=C(NCCC1CC[NH2+]CC1)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000846701060 748525853 /nfs/dbraw/zinc/52/58/53/748525853.db2.gz PDTVNZXOVSAQGL-UHFFFAOYSA-N 1 0 374.210 2.616 20 5 FFBDRO CCC(C)(C)[NH+]1CCN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000847037087 748602997 /nfs/dbraw/zinc/60/29/97/748602997.db2.gz AXQLJCXPQPTRQD-UHFFFAOYSA-N 1 0 368.865 2.993 20 5 FFBDRO C[N@H+](CCCCNC(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000848591478 748968461 /nfs/dbraw/zinc/96/84/61/748968461.db2.gz MWTRTJHZMAUQFD-UHFFFAOYSA-N 1 0 357.357 2.557 20 5 FFBDRO C[NH+](C)[C@H]1CCCN(C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000848592773 748969368 /nfs/dbraw/zinc/96/93/68/748969368.db2.gz MUBGKIMEAIWNSB-LBPRGKRZSA-N 1 0 357.357 2.509 20 5 FFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC[S@@](=O)CC(F)(F)F ZINC000850490968 749373604 /nfs/dbraw/zinc/37/36/04/749373604.db2.gz JGATYMIMGHOBLC-QVQLBTGDSA-N 1 0 352.378 2.817 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000852198872 749800164 /nfs/dbraw/zinc/80/01/64/749800164.db2.gz BXKSXUFOOYQEOG-GFCCVEGCSA-N 1 0 354.838 2.920 20 5 FFBDRO C[C@@H]1COC2(CCC2)C[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000852445169 749860927 /nfs/dbraw/zinc/86/09/27/749860927.db2.gz WDXWYZOAWCBDGV-GFCCVEGCSA-N 1 0 351.378 2.706 20 5 FFBDRO CCOC(=O)CC1([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CCOCC1 ZINC000852727284 749934766 /nfs/dbraw/zinc/93/47/66/749934766.db2.gz HFFPMAOZOYOUPI-UHFFFAOYSA-N 1 0 356.806 2.840 20 5 FFBDRO C[C@@H](CCNc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-])[NH+](C)C ZINC000853798174 750167384 /nfs/dbraw/zinc/16/73/84/750167384.db2.gz DARIVURNROHKDU-VIFPVBQESA-N 1 0 369.365 2.640 20 5 FFBDRO COc1cc(C[N@@H+]2CCC[C@H](c3ccn(C)n3)C2)c([N+](=O)[O-])cc1OC ZINC000896492282 971510059 /nfs/dbraw/zinc/51/00/59/971510059.db2.gz OEVHISQNWTVWIL-ZDUSSCGKSA-N 1 0 360.414 2.725 20 5 FFBDRO C[C@@H](NC(=O)c1cc2ccccc2c2cccnc12)[C@@H]1C[N@H+](C)CCN1C ZINC000896569855 971594822 /nfs/dbraw/zinc/59/48/22/971594822.db2.gz JESHXHYSVYJZLD-QRWLVFNGSA-N 1 0 362.477 2.752 20 5 FFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCN(Cc2ccccc2)C[C@H]1C ZINC000110506926 971796450 /nfs/dbraw/zinc/79/64/50/971796450.db2.gz XXGIURMSBABVNU-CQSZACIVSA-N 1 0 354.410 2.645 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCc3nc4c(s3)CCC4)CC2)cn1 ZINC000896840726 971834251 /nfs/dbraw/zinc/83/42/51/971834251.db2.gz HHZUYMBHVPKJTH-UHFFFAOYSA-N 1 0 373.482 2.736 20 5 FFBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N(C)CC(C)(C)C[NH+](C)C)cc1OC ZINC000890885980 960797021 /nfs/dbraw/zinc/79/70/21/960797021.db2.gz MWERQYQBUAPTMS-UHFFFAOYSA-N 1 0 367.446 2.662 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCN(C)C[C@@H]1CC(C)C ZINC000933250132 963753988 /nfs/dbraw/zinc/75/39/88/963753988.db2.gz VIVMYIGZPMKKGE-KRWDZBQOSA-N 1 0 362.474 2.894 20 5 FFBDRO Cc1c(C)c(C)c(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c(C)c1C ZINC001022063731 964188288 /nfs/dbraw/zinc/18/82/88/964188288.db2.gz JOABAQYSNBXYJR-SFNKJDCFSA-N 1 0 359.470 2.631 20 5 FFBDRO O=[N+]([O-])c1ccc(F)c(Nc2ccc(N3CC[NH+](CCO)CC3)cc2)c1 ZINC001175736946 1013546870 /nfs/dbraw/zinc/54/68/70/1013546870.db2.gz PKARRCLNTXHZHN-UHFFFAOYSA-N 1 0 360.389 2.592 20 5 FFBDRO COc1c(O)ccc(C[NH2+][C@H]2CCN(c3ccccc3F)C2)c1[N+](=O)[O-] ZINC000894591699 965500801 /nfs/dbraw/zinc/50/08/01/965500801.db2.gz UHIWIRCAVIRKRG-ZDUSSCGKSA-N 1 0 361.373 2.817 20 5 FFBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)N3CCC(C)(C)C3)c2)CC1 ZINC000934041561 965541896 /nfs/dbraw/zinc/54/18/96/965541896.db2.gz DAKACZPUOUKVBR-UHFFFAOYSA-N 1 0 361.446 2.610 20 5 FFBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)N3CCCCCC3)c2)CC1 ZINC000934048492 965543640 /nfs/dbraw/zinc/54/36/40/965543640.db2.gz RRTREVUXNNUOIS-UHFFFAOYSA-N 1 0 361.446 2.755 20 5 FFBDRO C[NH+](C)CCC[C@H]1CN(c2c3cc(F)ccc3ncc2[N+](=O)[O-])CCO1 ZINC000894645766 965554300 /nfs/dbraw/zinc/55/43/00/965554300.db2.gz QDLZJMFYKWTXKH-AWEZNQCLSA-N 1 0 362.405 2.829 20 5 FFBDRO Cc1cc(C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCCC2)c(C)s1 ZINC001270742957 965859057 /nfs/dbraw/zinc/85/90/57/965859057.db2.gz DIYDUHMMDRYALJ-HUUCEWRRSA-N 1 0 351.472 2.549 20 5 FFBDRO C/C(=C\C(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000785109943 966005969 /nfs/dbraw/zinc/00/59/69/966005969.db2.gz QRQRLSJDFBWYFM-SROTWBRCSA-N 1 0 361.442 2.614 20 5 FFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000895266069 968878037 /nfs/dbraw/zinc/87/80/37/968878037.db2.gz FSEQUBJXXUZDOD-CQSZACIVSA-N 1 0 370.409 2.739 20 5 FFBDRO C[C@@H]([NH2+]C[C@@H]1COCCN1C(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000311304462 969869100 /nfs/dbraw/zinc/86/91/00/969869100.db2.gz OCJGCPJIBCFHOT-CZUORRHYSA-N 1 0 365.430 2.881 20 5 FFBDRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000825764733 1013968694 /nfs/dbraw/zinc/96/86/94/1013968694.db2.gz MLPLVEUZPHUBGK-STQMWFEESA-N 1 0 366.437 2.793 20 5 FFBDRO C[NH+]1CCC2(CCN(C(=O)NCCc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000875138574 1013977161 /nfs/dbraw/zinc/97/71/61/1013977161.db2.gz UWKWSXTYHHAYCC-UHFFFAOYSA-N 1 0 360.458 2.655 20 5 FFBDRO O=C(O[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000892962934 970444671 /nfs/dbraw/zinc/44/46/71/970444671.db2.gz QIMUVSPQHSBKEJ-CHWSQXEVSA-N 1 0 362.382 2.540 20 5 FFBDRO C[C@H](CNC(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000897057930 973203703 /nfs/dbraw/zinc/20/37/03/973203703.db2.gz KIWPBKOYURXYCG-INMHGKMJSA-N 1 0 360.458 2.967 20 5 FFBDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000825827645 1014092426 /nfs/dbraw/zinc/09/24/26/1014092426.db2.gz WZOYLLWBUYIQMR-WMLDXEAASA-N 1 0 363.458 2.645 20 5 FFBDRO COC(=O)CC1CC[NH+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)CC1 ZINC000728899616 976893085 /nfs/dbraw/zinc/89/30/85/976893085.db2.gz YRNJAEWPMPXSFS-UHFFFAOYSA-N 1 0 358.398 2.691 20 5 FFBDRO O=C([C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)N1CCCN(c2cc[nH+]cc2)CC1 ZINC000899174991 976994040 /nfs/dbraw/zinc/99/40/40/976994040.db2.gz OMAGNGHQIUUCSC-RBUKOAKNSA-N 1 0 366.421 2.832 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CCC([C@@H](O)c2nccn2C)CC1 ZINC000876741884 1014373196 /nfs/dbraw/zinc/37/31/96/1014373196.db2.gz LRMRKTMSZDQLLX-GOSISDBHSA-N 1 0 358.442 2.891 20 5 FFBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000843816120 977307376 /nfs/dbraw/zinc/30/73/76/977307376.db2.gz BFIZYPQXHQXJNF-BETUJISGSA-N 1 0 367.421 2.662 20 5 FFBDRO C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000899814062 977345583 /nfs/dbraw/zinc/34/55/83/977345583.db2.gz DUQQCYSZLNNWJM-ZDUSSCGKSA-N 1 0 365.393 2.822 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)CCCN1CC[NH+](C(C)C)CC1 ZINC000899937594 977401176 /nfs/dbraw/zinc/40/11/76/977401176.db2.gz PZAMIIXDVRAEAK-UHFFFAOYSA-N 1 0 362.474 2.956 20 5 FFBDRO CC(C)(C)[C@H](Cn1ccnc1)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000876957060 1014433062 /nfs/dbraw/zinc/43/30/62/1014433062.db2.gz SNMZQWWIVUHCPH-KRWDZBQOSA-N 1 0 372.473 2.860 20 5 FFBDRO COCCOc1cc(C)ccc1C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877109679 1014477407 /nfs/dbraw/zinc/47/74/07/1014477407.db2.gz PRARVZYCGHFXBR-UHFFFAOYSA-N 1 0 360.414 2.618 20 5 FFBDRO C[C@H](c1ccncc1)N1CCC([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000877115880 1014479243 /nfs/dbraw/zinc/47/92/43/1014479243.db2.gz UXTIPJPADYKRFK-RWBZWWBESA-N 1 0 370.457 2.705 20 5 FFBDRO CC1(C)CC[C@@H](CNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)[NH2+]C1 ZINC000877155773 1014492784 /nfs/dbraw/zinc/49/27/84/1014492784.db2.gz YBWPLYNYKHZYAE-INIZCTEOSA-N 1 0 374.485 2.706 20 5 FFBDRO Cc1c(F)cnc(N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C)c1[N+](=O)[O-] ZINC001167947056 978509088 /nfs/dbraw/zinc/50/90/88/978509088.db2.gz FLAGNQHXJHHMBS-LBPRGKRZSA-N 1 0 356.398 2.689 20 5 FFBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc([N+](=O)[O-])c(I)c1 ZINC001227992256 979084961 /nfs/dbraw/zinc/08/49/61/979084961.db2.gz NVVAWWQCFQRUDI-VIFPVBQESA-N 1 0 365.191 2.673 20 5 FFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CCc3ccc4c(c3)OC(F)(F)O4)C2)c1 ZINC000877615241 1014647414 /nfs/dbraw/zinc/64/74/14/1014647414.db2.gz SGVVGYGMNQSDOV-UHFFFAOYSA-N 1 0 366.324 2.649 20 5 FFBDRO CN(CCC[NH2+]Cc1cc(Cl)sc1Cl)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001483465206 982272152 /nfs/dbraw/zinc/27/21/52/982272152.db2.gz ZRBGQRJLPQSXDC-NXEZZACHSA-N 1 0 366.270 2.658 20 5 FFBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)CC1 ZINC000897570487 982278502 /nfs/dbraw/zinc/27/85/02/982278502.db2.gz UBCCEIYEIICIIX-AWEZNQCLSA-N 1 0 356.426 2.887 20 5 FFBDRO CCc1ccc([C@@H](O)C[NH2+]Cc2cc(OC)c(OC)cc2[N+](=O)[O-])cc1 ZINC000796451911 1014966461 /nfs/dbraw/zinc/96/64/61/1014966461.db2.gz WWNQXIGDPFHFGM-KRWDZBQOSA-N 1 0 360.410 2.998 20 5 FFBDRO O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CCC([NH+]2CCC2)CC1 ZINC000912883912 984143540 /nfs/dbraw/zinc/14/35/40/984143540.db2.gz ZPFBNYCSKQVGJR-UHFFFAOYSA-N 1 0 372.469 2.895 20 5 FFBDRO O=[N+]([O-])c1cnn(CN2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000164789975 984402108 /nfs/dbraw/zinc/40/21/08/984402108.db2.gz LDOUXNSCMXYNRX-MJGOQNOKSA-N 1 0 355.442 2.735 20 5 FFBDRO CN(C)c1ccc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC000764880411 984776526 /nfs/dbraw/zinc/77/65/26/984776526.db2.gz BDHBUWYOQVVVQU-UHFFFAOYSA-N 1 0 355.442 2.814 20 5 FFBDRO CCCCNC(=O)[C@H]1CCC[N@H+](Cn2nc(C)c3cc([N+](=O)[O-])ccc32)C1 ZINC000764945509 984873287 /nfs/dbraw/zinc/87/32/87/984873287.db2.gz HYHNAUZFGNMXLI-HNNXBMFYSA-N 1 0 373.457 2.839 20 5 FFBDRO O=C(CC[NH2+][C@@H](CCO)C1CCCCC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000129999803 985430013 /nfs/dbraw/zinc/43/00/13/985430013.db2.gz QPPMVFUVXLEOOS-INIZCTEOSA-N 1 0 367.421 2.983 20 5 FFBDRO CC[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C[C@H](O)c1ccc(C)cc1 ZINC000174281052 986175609 /nfs/dbraw/zinc/17/56/09/986175609.db2.gz YGYMKAHTQQLIGX-QUCCMNQESA-N 1 0 374.437 2.698 20 5 FFBDRO COc1cc(I)ccc1O[C@H](C)C[N+](C)(C)C ZINC001233688342 986641115 /nfs/dbraw/zinc/64/11/15/986641115.db2.gz JMPRVBRVFRZXJU-SNVBAGLBSA-N 1 0 350.220 2.773 20 5 FFBDRO C[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1cccc(N2CCOC2=O)c1 ZINC000765848636 986727039 /nfs/dbraw/zinc/72/70/39/986727039.db2.gz JUACKZKKLHZQNS-UGSOOPFHSA-N 1 0 371.393 2.936 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H]1[C@H](O)c1ccccc1 ZINC000879244538 1015434917 /nfs/dbraw/zinc/43/49/17/1015434917.db2.gz QZKMEIVRRIXDRB-IMFGXOCKSA-N 1 0 372.421 2.533 20 5 FFBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000126509088 989106253 /nfs/dbraw/zinc/10/62/53/989106253.db2.gz NGTIWDHIHAYULL-UONOGXRCSA-N 1 0 356.426 2.993 20 5 FFBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)C[NH+]1CCCC1 ZINC000133448215 989466661 /nfs/dbraw/zinc/46/66/61/989466661.db2.gz UBPGDHFXCAGXDN-HNNXBMFYSA-N 1 0 360.458 2.657 20 5 FFBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)CC1 ZINC000153891168 989759498 /nfs/dbraw/zinc/75/94/98/989759498.db2.gz WNXFVUNGRXXMHZ-HUUCEWRRSA-N 1 0 360.458 2.654 20 5 FFBDRO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)Nc1cccc(-n2ccnc2)c1 ZINC000916418747 989792122 /nfs/dbraw/zinc/79/21/22/989792122.db2.gz NBZNIKNNCVKXJQ-UHFFFAOYSA-N 1 0 362.349 2.769 20 5 FFBDRO Cc1ccc(NC(=O)[C@H]([NH2+]C(C)(C)CO)c2ccccc2)c([N+](=O)[O-])c1 ZINC000916572462 989826988 /nfs/dbraw/zinc/82/69/88/989826988.db2.gz IXMUOZBAQRRHLG-QGZVFWFLSA-N 1 0 357.410 2.944 20 5 FFBDRO CC[NH+]1CCN(c2ccc(NC(=O)Cc3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC000916564982 989830122 /nfs/dbraw/zinc/83/01/22/989830122.db2.gz UDAMDVJOMYCWRJ-UHFFFAOYSA-N 1 0 368.437 2.918 20 5 FFBDRO CC[N@H+](CN1C(=O)N[C@](C)(c2ccc([N+](=O)[O-])cc2)C1=O)C1CCCC1 ZINC000917462999 990220734 /nfs/dbraw/zinc/22/07/34/990220734.db2.gz UTKBLGPASFNWKR-GOSISDBHSA-N 1 0 360.414 2.584 20 5 FFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(CC[N@H+](CCCC3CCCC3)C2)CC1 ZINC001035186588 990400010 /nfs/dbraw/zinc/40/00/10/990400010.db2.gz GMHBVLBUDQAIBG-QZTJIDSGSA-N 1 0 363.502 2.937 20 5 FFBDRO O=C(C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])NCc1ccco1 ZINC000129709110 990417821 /nfs/dbraw/zinc/41/78/21/990417821.db2.gz IMIHDYFKFHBTCP-RHSMWYFYSA-N 1 0 357.410 2.805 20 5 FFBDRO Cn1cc(C[NH2+]Cc2cc(C3CC3)nn2C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000922947899 990761657 /nfs/dbraw/zinc/76/16/57/990761657.db2.gz MJDFXQSNMAXIMC-UHFFFAOYSA-N 1 0 366.425 2.896 20 5 FFBDRO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000920749930 990914567 /nfs/dbraw/zinc/91/45/67/990914567.db2.gz MQECYBSANTWSKX-OAHLLOKOSA-N 1 0 362.474 2.901 20 5 FFBDRO CC1(C)[C@H](c2ccccc2F)CC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000879638864 1015621251 /nfs/dbraw/zinc/62/12/51/1015621251.db2.gz GHEKIKRNSSAKRJ-HOCLYGCPSA-N 1 0 362.405 2.559 20 5 FFBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000180187477 991449247 /nfs/dbraw/zinc/44/92/47/991449247.db2.gz ALUAMKVJKPPKEB-HKUYNNGSSA-N 1 0 368.437 2.836 20 5 FFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N(CC[NH2+]CC1CCCCC1)Cc1ccccc1 ZINC001484399537 991562338 /nfs/dbraw/zinc/56/23/38/991562338.db2.gz MWKDZSPIHVSJJB-RTBURBONSA-N 1 0 359.470 2.850 20 5 FFBDRO C[NH+](C)CC(C)(C)CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000070671029 992247292 /nfs/dbraw/zinc/24/72/92/992247292.db2.gz KWDOUIJXMDTLRT-UHFFFAOYSA-N 1 0 362.474 2.903 20 5 FFBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000072500994 993123757 /nfs/dbraw/zinc/12/37/57/993123757.db2.gz JTRLBKAOFYWLPU-INIZCTEOSA-N 1 0 360.458 2.799 20 5 FFBDRO C[C@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CCN1c1cc[nH+]cc1 ZINC000880263400 1015793481 /nfs/dbraw/zinc/79/34/81/1015793481.db2.gz XLAGUNHLIPWJEX-ZDUSSCGKSA-N 1 0 353.382 2.842 20 5 FFBDRO CCOc1cc(CONC(=[NH2+])[C@H]2COc3ccccc3O2)ccc1[N+](=O)[O-] ZINC000809997132 994659575 /nfs/dbraw/zinc/65/95/75/994659575.db2.gz VHXOOMSXNNMTJZ-QGZVFWFLSA-N 1 0 373.365 2.832 20 5 FFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](O)CC2(CCOCC2)C1 ZINC000880585543 1015879756 /nfs/dbraw/zinc/87/97/56/1015879756.db2.gz IKGBDHDHJJMVMT-KRWDZBQOSA-N 1 0 364.442 2.745 20 5 FFBDRO O=C(O[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000810845657 994952561 /nfs/dbraw/zinc/95/25/61/994952561.db2.gz FQLOMWSYEHRTMH-KGLIPLIRSA-N 1 0 356.382 2.564 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])cc(N(CC[NH3+])C23CC4CC(CC(C4)C2)C3)n1 ZINC001170632187 995104778 /nfs/dbraw/zinc/10/47/78/995104778.db2.gz YEOPAHLUYHAVDU-UHFFFAOYSA-N 1 0 374.441 2.510 20 5 FFBDRO CC(C)(NC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)[C@@H]1CCCCO1 ZINC001132952181 995215554 /nfs/dbraw/zinc/21/55/54/995215554.db2.gz GMKSVHHENWENMV-INIZCTEOSA-N 1 0 358.398 2.858 20 5 FFBDRO CC1CCC([NH+]2CCN(C(=O)Nc3ccc(N)c([N+](=O)[O-])c3)CC2)CC1 ZINC000823993415 996774067 /nfs/dbraw/zinc/77/40/67/996774067.db2.gz FKBJXROINRVPOF-UHFFFAOYSA-N 1 0 361.446 2.905 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2cnn(CN3CC[C@@H]([NH+]4CCCCC4)C3)c2)cc1 ZINC000730807729 997498375 /nfs/dbraw/zinc/49/83/75/997498375.db2.gz XIVJVALJFAKUTO-LJQANCHMSA-N 1 0 355.442 2.976 20 5 FFBDRO O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000730805974 997498507 /nfs/dbraw/zinc/49/85/07/997498507.db2.gz FYWYICVFWPOSGG-MRXNPFEDSA-N 1 0 358.442 2.552 20 5 FFBDRO C[C@@H]([NH2+]C[C@@](C)(O)CN(C)C(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000844314299 997801736 /nfs/dbraw/zinc/80/17/36/997801736.db2.gz ZIGQOSSNWJXVJP-FZKQIMNGSA-N 1 0 367.446 2.863 20 5 FFBDRO C[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H](Cc2ccccc2)C1 ZINC000844423459 997879071 /nfs/dbraw/zinc/87/90/71/997879071.db2.gz SNZCNUKTDHEYFU-SFHVURJKSA-N 1 0 370.409 2.862 20 5 FFBDRO C[C@H]1CCCN(Cn2cc([N+](=O)[O-])cn2)[C@H]1CCNC(=O)OC(C)(C)C ZINC000844731427 998129024 /nfs/dbraw/zinc/12/90/24/998129024.db2.gz SMQQXUYJECAUBL-ZFWWWQNUSA-N 1 0 367.450 2.764 20 5 FFBDRO COc1cc(Cc2noc([C@H]3CC[C@H](C4CC4)[NH2+]3)n2)c([N+](=O)[O-])c(OC)c1 ZINC000844918495 998229797 /nfs/dbraw/zinc/22/97/97/998229797.db2.gz VGDAYKPAYPURLK-ZIAGYGMSSA-N 1 0 374.397 2.789 20 5 FFBDRO COCC[N@@H+]1CCN(C(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC000844950021 998270256 /nfs/dbraw/zinc/27/02/56/998270256.db2.gz ZCQKLNBZJATMFV-FYWRMAATSA-N 1 0 361.442 2.567 20 5 FFBDRO COc1ccc(OCCOC(=O)CC[C@@H]2CCCC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC000803855702 1016244190 /nfs/dbraw/zinc/24/41/90/1016244190.db2.gz JNAJPVNJHGBIGR-AWEZNQCLSA-N 1 0 366.414 2.790 20 5 FFBDRO C[C@@H](OC(=O)CC[C@@H]1CCCC[N@@H+]1C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000803859747 1016248460 /nfs/dbraw/zinc/24/84/60/1016248460.db2.gz VQSNJIRZDMNBQP-KGLIPLIRSA-N 1 0 363.414 2.730 20 5 FFBDRO C[N@@H+]1CCCC[C@H]1CCC(=O)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000803856043 1016247029 /nfs/dbraw/zinc/24/70/29/1016247029.db2.gz LYYAEWLWLSWVCZ-AWEZNQCLSA-N 1 0 374.397 2.953 20 5 FFBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2F)[C@H](C)C1 ZINC000734401463 999284276 /nfs/dbraw/zinc/28/42/76/999284276.db2.gz HKJJHSHNKWYUTF-CXAGYDPISA-N 1 0 367.421 2.601 20 5 FFBDRO COc1ccc(CC(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)cc1[N+](=O)[O-] ZINC000738518802 999626341 /nfs/dbraw/zinc/62/63/41/999626341.db2.gz ZAPYSFCFJIHUAK-UHFFFAOYSA-N 1 0 371.437 2.866 20 5 FFBDRO COc1cc(C(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)ccc1[N+](=O)[O-] ZINC000738522289 999626573 /nfs/dbraw/zinc/62/65/73/999626573.db2.gz RTMPBDRLKRFXOJ-UHFFFAOYSA-N 1 0 357.410 2.937 20 5 FFBDRO C[C@@H]1CCC[C@@H](C)[N@H+](CN2C(=O)N[C@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000742155140 999762201 /nfs/dbraw/zinc/76/22/01/999762201.db2.gz PNTNHTMIXHSZSG-PJIJBLCYSA-N 1 0 374.441 2.830 20 5 FFBDRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000743331112 999812209 /nfs/dbraw/zinc/81/22/09/999812209.db2.gz MXAKTUVVVHXHKC-UHFFFAOYSA-N 1 0 370.453 2.751 20 5 FFBDRO Cc1ccc2ccccc2c1C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001086363166 999870186 /nfs/dbraw/zinc/87/01/86/999870186.db2.gz FSGMNHPEGVAKHR-QSFMABPGSA-N 1 0 367.449 2.798 20 5 FFBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC000746390667 999985291 /nfs/dbraw/zinc/98/52/91/999985291.db2.gz BIYNZVKPKYPYQO-AWEZNQCLSA-N 1 0 358.442 2.648 20 5 FFBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(OC3CCOCC3)c(F)c2)C1 ZINC001168984460 1000012452 /nfs/dbraw/zinc/01/24/52/1000012452.db2.gz OGNKLDPONJQQIG-HUUCEWRRSA-N 1 0 352.406 2.919 20 5 FFBDRO CC(C)(C)OC(=O)N1CCC[C@](F)(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168964781 1000013116 /nfs/dbraw/zinc/01/31/16/1000013116.db2.gz WEIVJCGXWVPDKG-CPUCHLNUSA-N 1 0 359.442 2.761 20 5 FFBDRO CC(C)(C)OC(=O)N1CC[C@H](C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)[C@H](F)C1 ZINC001168970374 1000013568 /nfs/dbraw/zinc/01/35/68/1000013568.db2.gz GZWVLDSANPMKAA-GBJTYRQASA-N 1 0 359.442 2.617 20 5 FFBDRO CC(C)(C)OC(=O)N1CC[C@]2(CCC[N@@H+]2[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169011642 1000015609 /nfs/dbraw/zinc/01/56/09/1000015609.db2.gz LWVMMTXMISOGCL-IIDMSEBBSA-N 1 0 353.463 2.907 20 5 FFBDRO O=C1N(c2cccc(F)c2)CC12CC[NH+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169029671 1000016143 /nfs/dbraw/zinc/01/61/43/1000016143.db2.gz VAJQMRHOJRKUFF-GOEBONIOSA-N 1 0 361.417 2.700 20 5 FFBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCN(c3ccc(-c4ncccn4)cc3)CC2)C1 ZINC001169055351 1000018890 /nfs/dbraw/zinc/01/88/90/1000018890.db2.gz PUZAPOFJTCEDEB-QFBILLFUSA-N 1 0 367.453 2.711 20 5 FFBDRO [NH3+]Cc1cccc2c1cnn2-c1nc2cc([N+](=O)[O-])ccc2nc1Cl ZINC001169192164 1000029949 /nfs/dbraw/zinc/02/99/49/1000029949.db2.gz LYMUOESEOAPMHZ-UHFFFAOYSA-N 1 0 354.757 2.989 20 5 FFBDRO O=[N+]([O-])c1cccc([N+](=O)[O-])c1NC1CC[NH+](Cc2ccccn2)CC1 ZINC000804356648 1000119564 /nfs/dbraw/zinc/11/95/64/1000119564.db2.gz MBDCDNXVHJZOCO-UHFFFAOYSA-N 1 0 357.370 2.975 20 5 FFBDRO CC(C)[N@@H+]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 ZINC000769662105 1000571534 /nfs/dbraw/zinc/57/15/34/1000571534.db2.gz KGHZCFKENFNKSL-HNNXBMFYSA-N 1 0 360.458 2.798 20 5 FFBDRO Cc1nn(CN2CC[C@]3(C2)OCc2ccccc23)c2ncc([N+](=O)[O-])cc12 ZINC000769776808 1000593796 /nfs/dbraw/zinc/59/37/96/1000593796.db2.gz KPIAVPJNVGSEPQ-LJQANCHMSA-N 1 0 365.393 2.737 20 5 FFBDRO CC(C)[N@H+](C[C@@H](O)COc1ccccc1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000770044657 1000663789 /nfs/dbraw/zinc/66/37/89/1000663789.db2.gz RHXJSRSMLDLSKA-QUCCMNQESA-N 1 0 374.437 2.779 20 5 FFBDRO COc1cc([N+](=O)[O-])c(NCc2ccccc2N2CC[NH2+]CC2)cc1F ZINC001171286211 1000764054 /nfs/dbraw/zinc/76/40/54/1000764054.db2.gz UHEZOZHIULJFQB-UHFFFAOYSA-N 1 0 360.389 2.764 20 5 FFBDRO CC(=O)N1CCc2cc(-n3c(CC[NH3+])cc4ccccc43)cc([N+](=O)[O-])c21 ZINC001171304163 1000895068 /nfs/dbraw/zinc/89/50/68/1000895068.db2.gz OZZWVZYVZPHTPL-UHFFFAOYSA-N 1 0 364.405 2.949 20 5 FFBDRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1ccc(N)c([N+](=O)[O-])c1)[NH+](C)C ZINC000785858969 1001498011 /nfs/dbraw/zinc/49/80/11/1001498011.db2.gz VIBAJXTUGATKQG-SCLBCKFNSA-N 1 0 356.426 2.907 20 5 FFBDRO O=C1OCC[C@H]1CCC[NH2+]Cc1c(Br)cccc1[N+](=O)[O-] ZINC001203566161 1002244038 /nfs/dbraw/zinc/24/40/38/1002244038.db2.gz OWEBQEPYSCPHMO-SNVBAGLBSA-N 1 0 357.204 2.790 20 5 FFBDRO COC1(OC)CC(C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC001184397493 1002588310 /nfs/dbraw/zinc/58/83/10/1002588310.db2.gz DFFWQOSRWVXMLT-UHFFFAOYSA-N 1 0 365.249 2.908 20 5 FFBDRO CC1CC[NH+](CCCNC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)CC1 ZINC000791199225 1002601467 /nfs/dbraw/zinc/60/14/67/1002601467.db2.gz HSLAOPSQYVVZMP-UHFFFAOYSA-N 1 0 366.437 2.652 20 5 FFBDRO CC(C)(C)OC(=O)NCCC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000774839086 1002852998 /nfs/dbraw/zinc/85/29/98/1002852998.db2.gz AOOIHYWTCNHGOR-UHFFFAOYSA-N 1 0 364.446 2.632 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)cc1F ZINC001185413705 1002948669 /nfs/dbraw/zinc/94/86/69/1002948669.db2.gz WXTVBQKSQXCUBX-OLZOCXBDSA-N 1 0 373.450 2.584 20 5 FFBDRO CCOC(=O)N1CCC([NH2+][C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC001170297721 1003090925 /nfs/dbraw/zinc/09/09/25/1003090925.db2.gz QYCBKQOCLVPGKM-ZDUSSCGKSA-N 1 0 365.430 2.745 20 5 FFBDRO COc1ccc(C[C@H](C)[NH2+]C2CCN(c3ncccn3)CC2)c([N+](=O)[O-])c1 ZINC001170298090 1003091590 /nfs/dbraw/zinc/09/15/90/1003091590.db2.gz ZUOIMHSZXPRKLO-AWEZNQCLSA-N 1 0 371.441 2.583 20 5 FFBDRO COc1ccc(C[C@@H](C)[NH2+][C@H](C(=O)NC(C)C)C(C)C)c([N+](=O)[O-])c1 ZINC001170315805 1003106355 /nfs/dbraw/zinc/10/63/55/1003106355.db2.gz YGTBPZLLMSAESG-DYVFJYSZSA-N 1 0 351.447 2.673 20 5 FFBDRO COC(=O)[C@@H]1CCC[C@H]([NH2+][C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170328845 1003114776 /nfs/dbraw/zinc/11/47/76/1003114776.db2.gz WMDOEHOAVLYUDD-CFVMTHIKSA-N 1 0 350.415 2.856 20 5 FFBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2ccc3c(c2)C(=O)NC3)c([N+](=O)[O-])c1 ZINC001170306588 1003120137 /nfs/dbraw/zinc/12/01/37/1003120137.db2.gz YEKJFJMMQJLYAI-GFCCVEGCSA-N 1 0 355.394 2.568 20 5 FFBDRO COC(=O)CC[C@@H]1CC[N@@H+]([C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170352803 1003121076 /nfs/dbraw/zinc/12/10/76/1003121076.db2.gz QQPBAYFSRSSACT-UONOGXRCSA-N 1 0 350.415 2.810 20 5 FFBDRO COc1ccc(C[C@@H](C)[N@H+]2CCc3ccc(=O)[nH]c3CC2)c([N+](=O)[O-])c1 ZINC001170353419 1003121588 /nfs/dbraw/zinc/12/15/88/1003121588.db2.gz XZJBKCFPHLDEKP-CYBMUJFWSA-N 1 0 357.410 2.736 20 5 FFBDRO COC(=O)[C@@H]1CCC[N@@H+]([C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC001170356037 1003122799 /nfs/dbraw/zinc/12/27/99/1003122799.db2.gz UTDANAVADDMQJE-UONOGXRCSA-N 1 0 350.415 2.810 20 5 FFBDRO COc1ccc(C[C@H](C)[N@@H+]2CCN(C)c3ncccc3C2)c([N+](=O)[O-])c1 ZINC001170340106 1003130151 /nfs/dbraw/zinc/13/01/51/1003130151.db2.gz DMNZJLRLKSUDAF-AWEZNQCLSA-N 1 0 356.426 2.881 20 5 FFBDRO COc1ccc(C[C@@H](C)N2CC([NH+]3CCC(F)CC3)C2)c([N+](=O)[O-])c1 ZINC001170344626 1003132248 /nfs/dbraw/zinc/13/22/48/1003132248.db2.gz DLMKZMUBMCHZKS-CYBMUJFWSA-N 1 0 351.422 2.653 20 5 FFBDRO COc1ccc(C[C@@H](C)[NH+]2CCC(N3CC(F)(F)C3)CC2)c([N+](=O)[O-])c1 ZINC001170346627 1003134079 /nfs/dbraw/zinc/13/40/79/1003134079.db2.gz OWCLOHDQVXTLBJ-CYBMUJFWSA-N 1 0 369.412 2.950 20 5 FFBDRO C[C@H](O)[C@@H](O)C[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC001203275927 1003412860 /nfs/dbraw/zinc/41/28/60/1003412860.db2.gz DHZQPCWCDFASQI-NHYWBVRUSA-N 1 0 366.801 2.872 20 5 FFBDRO COc1ccc(C[C@](C)([NH3+])CNc2c([N+](=O)[O-])cccc2[N+](=O)[O-])cc1 ZINC000804566239 1003729104 /nfs/dbraw/zinc/72/91/04/1003729104.db2.gz NTUQQVNFWCHKGT-KRWDZBQOSA-N 1 0 360.370 2.884 20 5 FFBDRO C[N@H+](Cc1ccccc1)C1CN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC000804812378 1003857983 /nfs/dbraw/zinc/85/79/83/1003857983.db2.gz NJCISVDUKXLWBM-UHFFFAOYSA-N 1 0 366.421 2.800 20 5 FFBDRO Cc1cc(C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)c(N)c([N+](=O)[O-])c1 ZINC000104827927 1004817684 /nfs/dbraw/zinc/81/76/84/1004817684.db2.gz VOOZIZNJFHCEHS-UHFFFAOYSA-N 1 0 368.437 2.834 20 5 FFBDRO CCC(C)(C)CC[N@H+](C)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC001195487991 1004976058 /nfs/dbraw/zinc/97/60/58/1004976058.db2.gz MUFHCBSEWGWDNS-UHFFFAOYSA-N 1 0 357.476 2.631 20 5 FFBDRO C[C@@H]1CC[C@@H](C(N)=O)[C@H](C)[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Br ZINC001195595666 1004995220 /nfs/dbraw/zinc/99/52/20/1004995220.db2.gz GFIJWSIQWBJRIE-GBIKHYSHSA-N 1 0 370.247 2.832 20 5 FFBDRO CON(C)C(=O)[C@H](CCSC)[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC001201601498 1005239584 /nfs/dbraw/zinc/23/95/84/1005239584.db2.gz XAWMALKBLWQQPA-HNNXBMFYSA-N 1 0 369.487 2.949 20 5 FFBDRO CCN(CC)C(=O)c1ccc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000776278004 1005336686 /nfs/dbraw/zinc/33/66/86/1005336686.db2.gz SDFNQNCEWGTPHY-LJQANCHMSA-N 1 0 371.437 2.900 20 5 FFBDRO Cc1noc(C)c1CC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000107320985 1005414647 /nfs/dbraw/zinc/41/46/47/1005414647.db2.gz AGMGOGIZVPRZIT-UHFFFAOYSA-N 1 0 355.398 2.932 20 5 FFBDRO CC(C)n1cc(C2=CCC[N@H+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)CC2)nn1 ZINC000852133684 1005944142 /nfs/dbraw/zinc/94/41/42/1005944142.db2.gz AMMOVHHRPGPSRV-IBGZPJMESA-N 1 0 371.441 2.980 20 5 FFBDRO CC(C)n1cc(C2=CCC[N@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC2)nn1 ZINC000852135482 1005944454 /nfs/dbraw/zinc/94/44/54/1005944454.db2.gz RSLGTLDNXZOAQR-LJQANCHMSA-N 1 0 371.441 2.980 20 5 FFBDRO CN(C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000776582192 1005961884 /nfs/dbraw/zinc/96/18/84/1005961884.db2.gz LRBNXZHVDJXGOY-QZTJIDSGSA-N 1 0 373.384 2.505 20 5 FFBDRO Cn1cc(C[C@H]2CCC[C@@H]2[NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cn1 ZINC000852562028 1006082085 /nfs/dbraw/zinc/08/20/85/1006082085.db2.gz ZKLXIIXGEVRJBP-CJNGLKHVSA-N 1 0 359.386 2.738 20 5 FFBDRO C[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(-n2ccnn2)cc1 ZINC000776606492 1006103125 /nfs/dbraw/zinc/10/31/25/1006103125.db2.gz XGPKSSUAFPHVKE-UGSOOPFHSA-N 1 0 353.382 2.560 20 5 FFBDRO C[C@H](C(=O)N1CCN(c2cc[nH+]cc2)[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000881632526 1006163837 /nfs/dbraw/zinc/16/38/37/1006163837.db2.gz BSUHLGFJYPWPBQ-GJZGRUSLSA-N 1 0 354.410 2.831 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H](c2ccncc2)C2(CO)CCC2)cc1 ZINC000853134551 1006309863 /nfs/dbraw/zinc/30/98/63/1006309863.db2.gz WIXHOVYSQVSQSQ-QZTJIDSGSA-N 1 0 357.410 2.517 20 5 FFBDRO CCO[C@H]1C[C@H](N(C)Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)C1(C)C ZINC000853498943 1006415057 /nfs/dbraw/zinc/41/50/57/1006415057.db2.gz SKLCGHZBNOFWCB-HOTGVXAUSA-N 1 0 359.430 2.946 20 5 FFBDRO O=[N+]([O-])c1cccc2c1ccnc2N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000882726756 1006490327 /nfs/dbraw/zinc/49/03/27/1006490327.db2.gz BQMNRDPEICUGQI-OAHLLOKOSA-N 1 0 356.426 2.880 20 5 FFBDRO CCC1([NH+]2CCCCC2)CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000882816386 1006516877 /nfs/dbraw/zinc/51/68/77/1006516877.db2.gz JTRQHOYILKHMBL-UHFFFAOYSA-N 1 0 360.458 2.929 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)C1 ZINC000853812005 1006543438 /nfs/dbraw/zinc/54/34/38/1006543438.db2.gz GUMZUQCZCYKBTB-GFCCVEGCSA-N 1 0 371.384 2.803 20 5 FFBDRO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)[C@@H]2C1 ZINC001135059704 1006659653 /nfs/dbraw/zinc/65/96/53/1006659653.db2.gz OGWVPHGZKNTZTA-FZZIBODNSA-N 1 0 357.332 2.684 20 5 FFBDRO C[C@H]([NH2+]C[C@@H](O)COc1ccc(F)c(F)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815577298 1006693647 /nfs/dbraw/zinc/69/36/47/1006693647.db2.gz MFMRYSXTQUHTOG-CMPLNLGQSA-N 1 0 367.352 2.546 20 5 FFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1OC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000816452133 1007061325 /nfs/dbraw/zinc/06/13/25/1007061325.db2.gz WQYQFXVNXJIXTJ-CRAIPNDOSA-N 1 0 372.425 2.635 20 5 FFBDRO Cn1nccc1-c1ccccc1CN(CC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000816610790 1007135631 /nfs/dbraw/zinc/13/56/31/1007135631.db2.gz YKMDIJVZNFDBNX-UHFFFAOYSA-N 1 0 351.410 2.961 20 5 FFBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC000113197511 1007220475 /nfs/dbraw/zinc/22/04/75/1007220475.db2.gz VKLBHTUFMXMMOI-ZDUSSCGKSA-N 1 0 364.402 2.806 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)c1C ZINC000884342845 1007385057 /nfs/dbraw/zinc/38/50/57/1007385057.db2.gz LMAWUUZTZNUCOI-NVXWUHKLSA-N 1 0 361.442 2.570 20 5 FFBDRO C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000817288911 1007510428 /nfs/dbraw/zinc/51/04/28/1007510428.db2.gz OWMMJTVIQKUWMJ-FRFSOERESA-N 1 0 364.442 2.928 20 5 FFBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000855809691 1007575857 /nfs/dbraw/zinc/57/58/57/1007575857.db2.gz JODKZHHZZUZBQB-ZDUSSCGKSA-N 1 0 365.405 2.636 20 5 FFBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000855811394 1007577272 /nfs/dbraw/zinc/57/72/72/1007577272.db2.gz MWCSPHOMIWEOFI-AWEZNQCLSA-N 1 0 360.458 2.798 20 5 FFBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCCc2cc(C[NH3+])ccc21 ZINC000818551483 1007939216 /nfs/dbraw/zinc/93/92/16/1007939216.db2.gz ADKRVAFOGRSWMP-UHFFFAOYSA-N 1 0 354.410 2.713 20 5 FFBDRO O=C1CCCN1c1ccc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000818942261 1007986897 /nfs/dbraw/zinc/98/68/97/1007986897.db2.gz BVSIYXGUAJXXES-GOSISDBHSA-N 1 0 355.394 2.545 20 5 FFBDRO Cc1ccc(OC[C@H](C)[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000818982629 1007998954 /nfs/dbraw/zinc/99/89/54/1007998954.db2.gz PMDBSRYCBPZBBH-DOTOQJQBSA-N 1 0 360.410 2.700 20 5 FFBDRO COc1ccc(C[C@H](C)[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000819034956 1008027980 /nfs/dbraw/zinc/02/79/80/1008027980.db2.gz SRERCSHBXBMFRY-SUMWQHHRSA-N 1 0 360.410 2.866 20 5 FFBDRO CN(C)C(=O)Nc1cccc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000819103577 1008034600 /nfs/dbraw/zinc/03/46/00/1008034600.db2.gz ZJZZYJRLBPXUTO-KRWDZBQOSA-N 1 0 358.398 2.512 20 5 FFBDRO CC(C)[C@@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)NC(=O)OC(C)(C)C ZINC000819077714 1008038771 /nfs/dbraw/zinc/03/87/71/1008038771.db2.gz NTKFKTCPTRFSST-HZPDHXFCSA-N 1 0 367.446 2.767 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H]2CCN(c3c(F)cccc3F)C2)cc1 ZINC000819147903 1008043202 /nfs/dbraw/zinc/04/32/02/1008043202.db2.gz XIHJJVKMWORDGQ-DYVFJYSZSA-N 1 0 363.364 2.775 20 5 FFBDRO Cn1nccc1[C@H](O)C1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000857061967 1008048457 /nfs/dbraw/zinc/04/84/57/1008048457.db2.gz XENGAKAPHQVQQI-GJEJWFRCSA-N 1 0 356.426 2.787 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCOc2ccc(C(F)(F)F)cn2)cc1 ZINC000819161486 1008052922 /nfs/dbraw/zinc/05/29/22/1008052922.db2.gz WTDFLUARXDWMBR-AWEZNQCLSA-N 1 0 371.315 2.711 20 5 FFBDRO C[C@@H](c1ccncc1)N1CCC([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000819184250 1008061001 /nfs/dbraw/zinc/06/10/01/1008061001.db2.gz XQSNWOZQPCEQNZ-MGPUTAFESA-N 1 0 370.453 2.838 20 5 FFBDRO O=C1[C@@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCCN1c1ccccc1F ZINC000819193526 1008063183 /nfs/dbraw/zinc/06/31/83/1008063183.db2.gz IFKDHSYOLZSLRA-FUHWJXTLSA-N 1 0 373.384 2.553 20 5 FFBDRO CC(C)(C)OC(=O)N[C@H](C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000819198284 1008064943 /nfs/dbraw/zinc/06/49/43/1008064943.db2.gz QMFZVIHRAMNGIT-HZPDHXFCSA-N 1 0 365.430 2.521 20 5 FFBDRO C[C@H]1CC2(CN1C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1)CC[NH2+]CC2 ZINC000857769152 1008204095 /nfs/dbraw/zinc/20/40/95/1008204095.db2.gz CFTFTUULAJZJSR-LBPRGKRZSA-N 1 0 369.368 2.557 20 5 FFBDRO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC001136339090 1008331731 /nfs/dbraw/zinc/33/17/31/1008331731.db2.gz QTCHZOUPSNEQLE-HNNXBMFYSA-N 1 0 359.401 2.945 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH+]2CCN(c3cccc4[nH]ccc43)CC2)cc1 ZINC000859832575 1008687278 /nfs/dbraw/zinc/68/72/78/1008687278.db2.gz JSSJFFKJHQCGRN-HXUWFJFHSA-N 1 0 366.421 2.932 20 5 FFBDRO CCC1([NH+]2CCC2)CCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000886712929 1008838051 /nfs/dbraw/zinc/83/80/51/1008838051.db2.gz POIQDPMERWZMDV-OAHLLOKOSA-N 1 0 360.458 2.872 20 5 FFBDRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000860253687 1008916828 /nfs/dbraw/zinc/91/68/28/1008916828.db2.gz GBKZZCWYTDYJLM-MRXNPFEDSA-N 1 0 371.437 2.715 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)CN2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)cc1 ZINC000823482770 1009087735 /nfs/dbraw/zinc/08/77/35/1009087735.db2.gz XLAZLBZTUFOKAA-TYPHKJRUSA-N 1 0 367.449 2.835 20 5 FFBDRO Cc1c(NC(=O)[C@H](C)N2CCC(CC[NH+](C)C)CC2)cccc1[N+](=O)[O-] ZINC000121630804 1009103728 /nfs/dbraw/zinc/10/37/28/1009103728.db2.gz QOMKISABKAWHPP-HNNXBMFYSA-N 1 0 362.474 2.894 20 5 FFBDRO O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000126476000 1009231200 /nfs/dbraw/zinc/23/12/00/1009231200.db2.gz ZVKWAYUNOHOWNL-YVEFUNNKSA-N 1 0 374.397 2.592 20 5 FFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000129701626 1009297687 /nfs/dbraw/zinc/29/76/87/1009297687.db2.gz IIIICHQYQJUGKP-INIZCTEOSA-N 1 0 363.458 2.536 20 5 FFBDRO CC[C@H]1COCCN1CC[NH2+]Cc1c(Br)cccc1[N+](=O)[O-] ZINC001179516166 1009351755 /nfs/dbraw/zinc/35/17/55/1009351755.db2.gz RCEKEMJSDRMCHB-LBPRGKRZSA-N 1 0 372.263 2.558 20 5 FFBDRO O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)OCC12CCC[NH+](CCC1)C2 ZINC000861363223 1009377753 /nfs/dbraw/zinc/37/77/53/1009377753.db2.gz QREBKTSSCMBQMW-UHFFFAOYSA-N 1 0 360.410 2.977 20 5 FFBDRO C[C@@H]([NH2+][C@H]1CCc2ccccc2OC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000509519026 1009528598 /nfs/dbraw/zinc/52/85/98/1009528598.db2.gz ZIRCGTYNXWGMJW-CJNGLKHVSA-N 1 0 355.394 2.905 20 5 FFBDRO CN(Cc1nccn1C)CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001180732029 1009830698 /nfs/dbraw/zinc/83/06/98/1009830698.db2.gz ISJXMIAAYHMALW-UHFFFAOYSA-N 1 0 371.485 2.715 20 5 FFBDRO CC[C@@H](C)c1nnc([C@@H](C)[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)[nH]1 ZINC001181426806 1010093539 /nfs/dbraw/zinc/09/35/39/1010093539.db2.gz DYTNVFDQRZDULC-CHWSQXEVSA-N 1 0 373.461 2.941 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)N1CCC([NH2+]C2CCC2)CC1 ZINC000889823640 1010140476 /nfs/dbraw/zinc/14/04/76/1010140476.db2.gz LMNRNORREBQUNF-UHFFFAOYSA-N 1 0 369.425 2.527 20 5 FFBDRO O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC([NH2+]C2CCC2)CC1 ZINC000889835762 1010146309 /nfs/dbraw/zinc/14/63/09/1010146309.db2.gz VPTXIZDHQLQQFH-UHFFFAOYSA-N 1 0 369.425 2.527 20 5 FFBDRO Cc1ccc(NC(=O)[C@H](c2ccccc2)N(C)C[C@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000863567597 1010257868 /nfs/dbraw/zinc/25/78/68/1010257868.db2.gz FVBPHQZTSXEPMM-KSSFIOAISA-N 1 0 356.426 2.862 20 5 FFBDRO CC(C)[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])[C@H](O)c1ccccc1 ZINC000794614662 1010442086 /nfs/dbraw/zinc/44/20/86/1010442086.db2.gz SNRCLBBOFWJNEZ-RBUKOAKNSA-N 1 0 357.410 2.881 20 5 FFBDRO O=c1oc2cccc([N+](=O)[O-])c2n1CN(C[C@@H]1CCCO1)C1CCCC1 ZINC000794633976 1010448450 /nfs/dbraw/zinc/44/84/50/1010448450.db2.gz QBJQOWSTWBRBOP-AWEZNQCLSA-N 1 0 361.398 2.884 20 5 FFBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@H](c2ccccc2)[C@@H](O)c2ccccc2)n1 ZINC000794670544 1010452926 /nfs/dbraw/zinc/45/29/26/1010452926.db2.gz LTFGQKWTKDKVSU-MOPGFXCFSA-N 1 0 352.394 2.856 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2ncn(C[N@@H+]3CCC[C@@H](C[C@H]4CCOC4)C3)n2)c1 ZINC000773255397 1010898396 /nfs/dbraw/zinc/89/83/96/1010898396.db2.gz AINXNQCOBYUTHX-JKSUJKDBSA-N 1 0 371.441 2.949 20 5 FFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC1(N2CCCC2)CCOCC1 ZINC000866261015 1010964751 /nfs/dbraw/zinc/96/47/51/1010964751.db2.gz MTGXSOWIQOEPEF-HNNXBMFYSA-N 1 0 365.449 2.900 20 5 FFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1CCCN(c2cnn(C)c2)C1 ZINC000866273977 1010967564 /nfs/dbraw/zinc/96/75/64/1010967564.db2.gz VJXYEHLRIOHQKY-CJNGLKHVSA-N 1 0 361.421 2.657 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1ccnc(-n3cncn3)c1)CCC2 ZINC000866433032 1010993778 /nfs/dbraw/zinc/99/37/78/1010993778.db2.gz HEWZOZWBFMAHCT-QGZVFWFLSA-N 1 0 350.382 2.738 20 5 FFBDRO C[NH+]1CCC(n2cc(NC(=O)[C@@H]3C[C@@H]3c3cccc([N+](=O)[O-])c3)cn2)CC1 ZINC000828097817 1032596864 /nfs/dbraw/zinc/59/68/64/1032596864.db2.gz GNSOXLQOGHEOIQ-QZTJIDSGSA-N 1 0 369.425 2.800 20 5 FFBDRO CCO[C@@H]1C[C@H]2C[N@@H+]([C@@H]3CCc4ccc([N+](=O)[O-])cc4CC3)CCN2C1 ZINC001172910205 1012122269 /nfs/dbraw/zinc/12/22/69/1012122269.db2.gz KXGNFKLXTPHRFX-YZGWKJHDSA-N 1 0 359.470 2.637 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H](N1C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C1)O3)CC2 ZINC001172910821 1012122371 /nfs/dbraw/zinc/12/23/71/1012122371.db2.gz OJDHGOKGHNZUAR-NRSPTQNISA-N 1 0 371.481 2.637 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH+]1CCN(C[C@@H]3CCCO3)CC1)CC2 ZINC001172912172 1012126301 /nfs/dbraw/zinc/12/63/01/1012126301.db2.gz YMFPRZKCWHJYRH-QUCCMNQESA-N 1 0 359.470 2.639 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH2+]C[C@@H]3CC[C@H](O)C3)CC2)c(F)c1 ZINC001173006339 1012174827 /nfs/dbraw/zinc/17/48/27/1012174827.db2.gz REMXLIGWLREYMW-RISCZKNCSA-N 1 0 355.385 2.592 20 5 FFBDRO [NH3+]Cc1ccc(NC2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)cn1 ZINC001173009026 1012176922 /nfs/dbraw/zinc/17/69/22/1012176922.db2.gz KGGXASJKPNGSIO-UHFFFAOYSA-N 1 0 363.368 2.808 20 5 FFBDRO Cc1cc(-c2nc(-c3ccc4c(n3)CC[NH2+]C4)no2)cc([N+](=O)[O-])c1C ZINC001217096928 1032609109 /nfs/dbraw/zinc/60/91/09/1032609109.db2.gz KGBBMEXLSDXOBD-UHFFFAOYSA-N 1 0 351.366 2.969 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]Cc2ccccc2C(N)=O)c1F ZINC001173180295 1012324753 /nfs/dbraw/zinc/32/47/53/1012324753.db2.gz UTTCLKXGFGLGDC-NSHDSACASA-N 1 0 361.373 2.562 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]Cc2ccc3c(c2)C(=O)NC3)c1F ZINC001173192867 1012335063 /nfs/dbraw/zinc/33/50/63/1012335063.db2.gz RUEWXLMEIZMHTB-LLVKDONJSA-N 1 0 373.384 2.707 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CC([NH+]3CCCCC3)C2)c1F ZINC001173197333 1012341572 /nfs/dbraw/zinc/34/15/72/1012341572.db2.gz TVABJDBKIARMBT-CYBMUJFWSA-N 1 0 351.422 2.844 20 5 FFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)n1cc(C[C@@H]([NH3+])C(N)=O)c2ccccc21 ZINC001173217083 1012352340 /nfs/dbraw/zinc/35/23/40/1012352340.db2.gz LDJQHPOSAPNOGX-SCLBCKFNSA-N 1 0 366.421 2.708 20 5 FFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCN(CCc2ccncc2)CC1 ZINC001173225021 1012359197 /nfs/dbraw/zinc/35/91/97/1012359197.db2.gz AWEUAUXEIMYWGY-QGZVFWFLSA-N 1 0 354.454 2.781 20 5 FFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N(c1ncc(F)cn1)C1CC[NH2+]CC1 ZINC001173231003 1012364257 /nfs/dbraw/zinc/36/42/57/1012364257.db2.gz IFUZMDYIOPQGBB-ZDUSSCGKSA-N 1 0 359.405 2.714 20 5 FFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc2c(c1)N(C)C(=O)CO2 ZINC001173229322 1012364623 /nfs/dbraw/zinc/36/46/23/1012364623.db2.gz MXEOHMMUTWAPEE-CYBMUJFWSA-N 1 0 355.394 2.671 20 5 FFBDRO COc1cc(C)nc(O[C@@H]2CC[N@@H+]([C@H](C)Cc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC001173237129 1012382801 /nfs/dbraw/zinc/38/28/01/1012382801.db2.gz IAZCJIVNXHLWAZ-RHSMWYFYSA-N 1 0 372.425 2.786 20 5 FFBDRO C[NH+](C)C1(C)CCC(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000871357803 1012882815 /nfs/dbraw/zinc/88/28/15/1012882815.db2.gz UYUUTOMCDCYWTM-UHFFFAOYSA-N 1 0 358.442 2.929 20 5 FFBDRO Cc1c(C(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000097667642 1012930907 /nfs/dbraw/zinc/93/09/07/1012930907.db2.gz RMCCUNUMVXLOET-RYUDHWBXSA-N 1 0 364.402 2.662 20 5 FFBDRO C[C@H](CCNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)[NH+]1CCCCC1 ZINC000828349636 1032676396 /nfs/dbraw/zinc/67/63/96/1032676396.db2.gz YCHPGCFIAOVGBF-CYBMUJFWSA-N 1 0 366.437 2.794 20 5 FFBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCN2C2CCOCC2)cc1[N+](=O)[O-] ZINC000927106426 1018368439 /nfs/dbraw/zinc/36/84/39/1018368439.db2.gz ZYQXAIWJOWYFMI-YOEHRIQHSA-N 1 0 363.458 2.897 20 5 FFBDRO CC1([NH+]2CCCC2)CCC(NC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000928005661 1018737053 /nfs/dbraw/zinc/73/70/53/1018737053.db2.gz MVIYLRDRLFEGCC-RMXPPQQLSA-N 1 0 361.442 2.542 20 5 FFBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000801860665 1019458484 /nfs/dbraw/zinc/45/84/84/1019458484.db2.gz NCSFWGYKWWLIRB-XQQFMLRXSA-N 1 0 364.421 2.794 20 5 FFBDRO C[C@@H](NC(=O)c1cc([N+](=O)[O-])c(F)cc1N)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000801950972 1019537097 /nfs/dbraw/zinc/53/70/97/1019537097.db2.gz OFDHLCJKWRBHIS-VXGBXAGGSA-N 1 0 364.421 2.699 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2cnn(CN3CCC(C4OCCO4)CC3)c2)c1 ZINC000777954665 1020323884 /nfs/dbraw/zinc/32/38/84/1020323884.db2.gz ALPSPNHMNCNBKC-UHFFFAOYSA-N 1 0 358.398 2.501 20 5 FFBDRO CCC[C@@]1(C2CC2)NC(=O)N(CN(C)CCc2cccc([N+](=O)[O-])c2)C1=O ZINC000802742038 1020373202 /nfs/dbraw/zinc/37/32/02/1020373202.db2.gz YWKGPIDIUTWXHO-IBGZPJMESA-N 1 0 374.441 2.527 20 5 FFBDRO CCOc1cc(CN2CCC([N@@H+]3CCCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000931288204 1020404664 /nfs/dbraw/zinc/40/46/64/1020404664.db2.gz YAEPRNLMEWWTAM-UHFFFAOYSA-N 1 0 363.458 2.680 20 5 FFBDRO O=[N+]([O-])c1cc(O[C@@H]2CCC[NH2+]C[C@H]2F)c(Br)cc1F ZINC001217944598 1032912684 /nfs/dbraw/zinc/91/26/84/1032912684.db2.gz FWVKLKFYFUGRLX-MWLCHTKSSA-N 1 0 351.147 2.965 20 5 FFBDRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NC[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000900738989 1020620701 /nfs/dbraw/zinc/62/07/01/1020620701.db2.gz KZLYRGGIXVLGRX-RDTXWAMCSA-N 1 0 363.458 2.608 20 5 FFBDRO COc1cc([C@H](C)[NH2+][C@H]2CCCN(c3ncccn3)C2)cc([N+](=O)[O-])c1 ZINC000903072324 1020663464 /nfs/dbraw/zinc/66/34/64/1020663464.db2.gz IPBMVARQUCJQOC-ZFWWWQNUSA-N 1 0 357.414 2.713 20 5 FFBDRO CCOC(=O)[C@@H]1[C@@H]2CCN(Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C[C@@H]21 ZINC000932060856 1020694370 /nfs/dbraw/zinc/69/43/70/1020694370.db2.gz TWFMZEHUZSFLBJ-IXDOHACOSA-N 1 0 371.393 2.881 20 5 FFBDRO COc1cc([C@H](C)[NH2+][C@@H]2CCC[C@H]3CN(C(C)=O)C[C@@H]32)cc([N+](=O)[O-])c1 ZINC000903172241 1020722573 /nfs/dbraw/zinc/72/25/73/1020722573.db2.gz OUFHDQLQEPLILC-BPOGTFHJSA-N 1 0 361.442 2.901 20 5 FFBDRO COC(=O)c1cc2n(n1)CCC[C@@H]2[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000903245187 1020760924 /nfs/dbraw/zinc/76/09/24/1020760924.db2.gz JXMVMRLUCILOCR-JSGCOSHPSA-N 1 0 358.398 2.806 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(O[C@@H]2C[NH2+]CCC[C@H]2F)c(Br)c1 ZINC001217982136 1032933050 /nfs/dbraw/zinc/93/30/50/1032933050.db2.gz SCGATEFRVJAHOF-MWLCHTKSSA-N 1 0 351.147 2.965 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCn2nc(C3CC3)cc2C1 ZINC000932604816 1020845840 /nfs/dbraw/zinc/84/58/40/1020845840.db2.gz IBOGTKNQGXROSE-UHFFFAOYSA-N 1 0 369.425 2.822 20 5 FFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCC2(CC1)C[C@@H](O)CCO2 ZINC000933064743 1020947649 /nfs/dbraw/zinc/94/76/49/1020947649.db2.gz YFRLCRQRYNXOSX-KRWDZBQOSA-N 1 0 364.442 2.888 20 5 FFBDRO CCOc1cc(CNC2(c3ncccn3)CCOCC2)ccc1[N+](=O)[O-] ZINC000933340217 1020996554 /nfs/dbraw/zinc/99/65/54/1020996554.db2.gz XDAJNJUKBMAKPB-UHFFFAOYSA-N 1 0 358.398 2.579 20 5 FFBDRO CCN1C[C@@H](C[N@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)Oc2ccccc21 ZINC000749663474 1021018001 /nfs/dbraw/zinc/01/80/01/1021018001.db2.gz FUEGTQJNDFHKSF-MJGOQNOKSA-N 1 0 371.437 2.848 20 5 FFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]Cc2ccc(Cn3cccn3)cc2)c1 ZINC000749675262 1021018713 /nfs/dbraw/zinc/01/87/13/1021018713.db2.gz XYMODWLEKFTINK-IBGZPJMESA-N 1 0 352.394 2.663 20 5 FFBDRO Cc1c(Cl)cc([N+](=O)[O-])c(O[C@H]2C[NH2+]CCOC2)c1Br ZINC001218046869 1032969024 /nfs/dbraw/zinc/96/90/24/1032969024.db2.gz XLUREMBLECFEHY-QMMMGPOBSA-N 1 0 365.611 2.686 20 5 FFBDRO C[C@H]1C[C@@H](Oc2ccc(I)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC001218060484 1032973490 /nfs/dbraw/zinc/97/34/90/1032973490.db2.gz MSLTUUHFBTYLDB-WPRPVWTQSA-N 1 0 362.167 2.719 20 5 FFBDRO COc1cc(O[C@H]2CC[NH2+][C@@H](C)C2)c2c(c1)oc1c(O)ccc(O)c1c2=O ZINC001218052458 1032974103 /nfs/dbraw/zinc/97/41/03/1032974103.db2.gz BJKPHNREQJSPRV-QWRGUYRKSA-N 1 0 371.389 2.885 20 5 FFBDRO CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000750116626 1021379304 /nfs/dbraw/zinc/37/93/04/1021379304.db2.gz SLYPZRRFECAFDV-PMACEKPBSA-N 1 0 355.438 2.835 20 5 FFBDRO Cc1cncc([N+](=O)[O-])c1NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC001117262773 1021629415 /nfs/dbraw/zinc/62/94/15/1021629415.db2.gz HNAWARKIMGDFAJ-UHFFFAOYSA-N 1 0 358.364 2.937 20 5 FFBDRO COC(=O)[C@@H]1CCC[C@H]1[NH2+][C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC001117305201 1021647700 /nfs/dbraw/zinc/64/77/00/1021647700.db2.gz PUMKLDSRKKNVSZ-IRUJWGPZSA-N 1 0 369.805 2.507 20 5 FFBDRO O=[N+]([O-])c1cc(Br)cc(O)c1O[C@@H]1CCC[C@@H]2C[NH2+]C[C@@H]21 ZINC001218145280 1033016700 /nfs/dbraw/zinc/01/67/00/1033016700.db2.gz AKYYQBSGDXHURX-DFAYQTQMSA-N 1 0 357.204 2.830 20 5 FFBDRO C[NH2+]Cc1ccccc1CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001118252128 1022143396 /nfs/dbraw/zinc/14/33/96/1022143396.db2.gz ZYNUWAZADNHSBO-UHFFFAOYSA-N 1 0 354.410 2.582 20 5 FFBDRO [NH3+][C@H]1CCCC[C@H]1C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001118263198 1022147745 /nfs/dbraw/zinc/14/77/45/1022147745.db2.gz DEZIDZCCUHNICI-NEPJUHHUSA-N 1 0 374.363 2.659 20 5 FFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC2(CC1)CC[NH+](C)CC2 ZINC001118987475 1022506423 /nfs/dbraw/zinc/50/64/23/1022506423.db2.gz CXXMDJHXZKBINI-UHFFFAOYSA-N 1 0 361.442 2.942 20 5 FFBDRO Cc1c(C)c(C)c(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c(C)c1C ZINC001020138955 1022564272 /nfs/dbraw/zinc/56/42/72/1022564272.db2.gz JOABAQYSNBXYJR-YWTNHNAXSA-N 1 0 359.470 2.631 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000751065932 1022753663 /nfs/dbraw/zinc/75/36/63/1022753663.db2.gz ZRHLITDHTNVAGK-UHFFFAOYSA-N 1 0 354.410 2.907 20 5 FFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]CC[C@@H]1CCCS1(=O)=O ZINC001119517118 1022831759 /nfs/dbraw/zinc/83/17/59/1022831759.db2.gz OSSBJGSIRLHLNP-LBPRGKRZSA-N 1 0 366.361 2.671 20 5 FFBDRO C/C(=C\C(=O)N1CCC[N@H+](C[C@H]2CCCO2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000751690050 1022911859 /nfs/dbraw/zinc/91/18/59/1022911859.db2.gz YEDWAWLCUWRYNG-JRJUITNWSA-N 1 0 373.453 2.711 20 5 FFBDRO CCc1ccc(C[NH+]2CCC3(CCN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)CC2)cc1 ZINC001040700745 1022954549 /nfs/dbraw/zinc/95/45/49/1022954549.db2.gz QVFUBIVZZYMYGX-RTBURBONSA-N 1 0 371.481 2.729 20 5 FFBDRO O=C(NC1(C2CC[NH2+]CC2)CC1)c1ccc([N+](=O)[O-])cc1Br ZINC001122296815 1023174604 /nfs/dbraw/zinc/17/46/04/1023174604.db2.gz UJTJLFPHJVDACW-UHFFFAOYSA-N 1 0 368.231 2.619 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCCC[NH2+]2)cc1SC ZINC001122305549 1023178756 /nfs/dbraw/zinc/17/87/56/1023178756.db2.gz RKYGCRMVXONEGT-NSHDSACASA-N 1 0 353.444 2.587 20 5 FFBDRO O=[N+]([O-])c1ccc(NCC[NH2+]C[C@@H](O)COc2ccccc2Cl)cc1 ZINC001120469637 1023333235 /nfs/dbraw/zinc/33/32/35/1023333235.db2.gz UZYAKEBROOTXHK-OAHLLOKOSA-N 1 0 365.817 2.690 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]Cc2ccncc2C(F)(F)F)c1 ZINC001120511388 1023345047 /nfs/dbraw/zinc/34/50/47/1023345047.db2.gz LIYBZOPQHLYYNN-CYBMUJFWSA-N 1 0 371.315 2.538 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CCc1nc2ccccc2s1 ZINC001120570807 1023365842 /nfs/dbraw/zinc/36/58/42/1023365842.db2.gz VYUKDTRLXXHNQS-ZDUSSCGKSA-N 1 0 373.434 2.777 20 5 FFBDRO Cc1cc2ncn(C[C@H](O)C[NH2+]Cc3ccc([N+](=O)[O-])cc3)c2cc1C ZINC001120572727 1023366981 /nfs/dbraw/zinc/36/69/81/1023366981.db2.gz YAADHUZBBVEUAX-QGZVFWFLSA-N 1 0 354.410 2.712 20 5 FFBDRO O=[N+]([O-])c1ccccc1N1CC[C@H](Oc2cccc(N3CC[NH2+]CC3)c2)C1 ZINC001218383176 1033131122 /nfs/dbraw/zinc/13/11/22/1033131122.db2.gz HZWZAXGKBIUWOS-SFHVURJKSA-N 1 0 368.437 2.662 20 5 FFBDRO COc1cc(O[C@@H]2CC[C@@H](C)[NH2+]C2)c2c(c1)oc1c(O)ccc(O)c1c2=O ZINC001218399076 1033138112 /nfs/dbraw/zinc/13/81/12/1033138112.db2.gz NQJGJBMFGWZXDU-GHMZBOCLSA-N 1 0 371.389 2.885 20 5 FFBDRO C[C@H]1C[NH2+]CC[C@@H]1Oc1ccc([N+](=O)[O-])c(I)c1 ZINC001218415717 1033146040 /nfs/dbraw/zinc/14/60/40/1033146040.db2.gz PQASHADGNPFTBH-UFBFGSQYSA-N 1 0 362.167 2.576 20 5 FFBDRO COc1cc(O[C@H]2CC[NH2+]C[C@@H]2C)c2c(c1)oc1c(O)ccc(O)c1c2=O ZINC001218419085 1033149263 /nfs/dbraw/zinc/14/92/63/1033149263.db2.gz KHXXPAHRMVVQCI-HZMBPMFUSA-N 1 0 371.389 2.743 20 5 FFBDRO Cn1ccnc1[C@@H]1CC[N@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000755790737 1023636201 /nfs/dbraw/zinc/63/62/01/1023636201.db2.gz QJFPWWIXWGQSPI-OAHLLOKOSA-N 1 0 352.398 2.639 20 5 FFBDRO COc1cc(C(=O)N2C[C@]34C[N@H+](C)C[C@@]3(C2)CCCC4)ccc1[N+](=O)[O-] ZINC001121275983 1023684166 /nfs/dbraw/zinc/68/41/66/1023684166.db2.gz BUNDRDQHCJVTNB-KDURUIRLSA-N 1 0 359.426 2.551 20 5 FFBDRO O=C(CCn1cc([N+](=O)[O-])cn1)OCC1CC[NH+](Cc2ccccc2)CC1 ZINC000077941855 1023710200 /nfs/dbraw/zinc/71/02/00/1023710200.db2.gz NLSRAUIHRUFKOW-UHFFFAOYSA-N 1 0 372.425 2.637 20 5 FFBDRO O=[N+]([O-])c1cc(Br)cc(F)c1O[C@@H]1C[NH2+]CCC1(F)F ZINC001218446055 1033158574 /nfs/dbraw/zinc/15/85/74/1033158574.db2.gz ATBHULJIJKKWHG-SECBINFHSA-N 1 0 355.110 2.872 20 5 FFBDRO CC(C)C[N@@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)C1 ZINC000756980457 1023776106 /nfs/dbraw/zinc/77/61/06/1023776106.db2.gz SHIVJWOQYRWUMF-AWEZNQCLSA-N 1 0 360.458 2.877 20 5 FFBDRO O=[N+]([O-])c1ccc(O[C@@H]2CC[C@H]3C[NH2+]C[C@H]32)c(I)c1 ZINC001218458864 1033165538 /nfs/dbraw/zinc/16/55/38/1033165538.db2.gz ABBKCZFTCAJVSP-MKPLZMMCSA-N 1 0 374.178 2.576 20 5 FFBDRO C[C@@H]1CC[NH2+]C[C@@H]1Oc1ccc([N+](=O)[O-])c(I)c1 ZINC001218480948 1033174987 /nfs/dbraw/zinc/17/49/87/1033174987.db2.gz JXDVQWWTPNOYQE-PELKAZGASA-N 1 0 362.167 2.576 20 5 FFBDRO CCC(CC)(C[NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)C(=O)OC ZINC000192704750 1024252979 /nfs/dbraw/zinc/25/29/79/1024252979.db2.gz GNBKWAFAFUXUEU-ZDUSSCGKSA-N 1 0 365.430 2.799 20 5 FFBDRO [NH3+][C@@H]1CN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CC[C@@H]1C(F)(F)F ZINC001122160183 1024395907 /nfs/dbraw/zinc/39/59/07/1024395907.db2.gz WVKHNNLUMQSMCC-UONOGXRCSA-N 1 0 371.359 2.755 20 5 FFBDRO O=[N+]([O-])c1ccc2oc(CO[C@H]3CC[C@@H]([NH+]4CCOCC4)CC3)nc2c1 ZINC001222931599 1033209221 /nfs/dbraw/zinc/20/92/21/1033209221.db2.gz LQQZCHJWNQZHPW-OTVXOJSOSA-N 1 0 361.398 2.896 20 5 FFBDRO CN(C(=O)[C@@H]([NH3+])Cc1c2ccccc2cc2ccccc21)c1nccnc1N ZINC001218624184 1033250758 /nfs/dbraw/zinc/25/07/58/1033250758.db2.gz XTBQPDGJETYFLT-IBGZPJMESA-N 1 0 371.444 2.898 20 5 FFBDRO [NH3+][C@@H](Cc1c2ccccc2cc2ccccc21)C(=O)Nc1cn[nH]c(=O)c1 ZINC001218652293 1033262471 /nfs/dbraw/zinc/26/24/71/1033262471.db2.gz JNAOSLOQAAXMCA-IBGZPJMESA-N 1 0 358.401 2.997 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1COC[C@@H]1CCC2(CC[NH+](C)CC2)O1 ZINC001223105024 1033290818 /nfs/dbraw/zinc/29/08/18/1033290818.db2.gz VXAHBAHFCRKWIU-INIZCTEOSA-N 1 0 350.415 2.763 20 5 FFBDRO CC[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C[C@@H]1COc2ccccc2O1 ZINC000246212245 1025879321 /nfs/dbraw/zinc/87/93/21/1025879321.db2.gz CKAJYHHWWBMEFZ-IAGOWNOFSA-N 1 0 358.394 2.790 20 5 FFBDRO [NH3+]Cc1ccc2c(n1)N(c1ccc(-c3ccccc3[N+](=O)[O-])nn1)CCC2 ZINC001158656279 1027087158 /nfs/dbraw/zinc/08/71/58/1027087158.db2.gz XEKIFUMBSQJXPP-UHFFFAOYSA-N 1 0 362.393 2.990 20 5 FFBDRO CC[NH+](CC)CCOc1cccc(NC(=O)c2n[nH]c(C)c2[N+](=O)[O-])c1 ZINC001159310570 1027351229 /nfs/dbraw/zinc/35/12/29/1027351229.db2.gz JTAYFWFIRXQFHT-UHFFFAOYSA-N 1 0 361.402 2.599 20 5 FFBDRO [NH3+]C[C@H]1COc2ccccc2N1c1ccc(-c2ccc([N+](=O)[O-])cc2)nn1 ZINC001160199522 1027634451 /nfs/dbraw/zinc/63/44/51/1027634451.db2.gz HPVRBENHZNQWQD-HNNXBMFYSA-N 1 0 363.377 2.910 20 5 FFBDRO COc1nc(C)c([N+](=O)[O-])c(Nc2ccc(C[NH3+])cc2C(F)(F)F)n1 ZINC001160419000 1027698221 /nfs/dbraw/zinc/69/82/21/1027698221.db2.gz KFSNPJJIHQIDNI-UHFFFAOYSA-N 1 0 357.292 2.923 20 5 FFBDRO O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N[C@@H]2CC[NH2+]C[C@@H]2C(F)(F)F)c1 ZINC001160736827 1027845974 /nfs/dbraw/zinc/84/59/74/1027845974.db2.gz NIFXAWPRSMADNS-DTWKUNHWSA-N 1 0 374.697 2.823 20 5 FFBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000795707445 1027894702 /nfs/dbraw/zinc/89/47/02/1027894702.db2.gz NLKAJJHICCBLTA-KXBFYZLASA-N 1 0 355.442 2.974 20 5 FFBDRO Cc1ccc2c(=O)c3cccc(CC(=O)N4CC[NH2+][C@H](C)C4)c3oc2c1C ZINC001161016255 1027973126 /nfs/dbraw/zinc/97/31/26/1027973126.db2.gz VKXRGOWKIFOGES-CQSZACIVSA-N 1 0 364.445 2.926 20 5 FFBDRO Cc1nc(Cl)nc(NC2CC[NH+](Cc3ccncc3)CC2)c1[N+](=O)[O-] ZINC001161100961 1028009816 /nfs/dbraw/zinc/00/98/16/1028009816.db2.gz BOVHQNXZMGPCMR-UHFFFAOYSA-N 1 0 362.821 2.818 20 5 FFBDRO O=[N+]([O-])c1c(Cl)cc(Cl)nc1NC1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001161464934 1028189258 /nfs/dbraw/zinc/18/92/58/1028189258.db2.gz UIXPEOSNRJLOML-JTQLQIEISA-N 1 0 360.245 2.535 20 5 FFBDRO COC(=O)c1cnc(N(CC(C)(C)C)[C@H]2CC[C@H]([NH3+])CC2)c([N+](=O)[O-])c1 ZINC001161675213 1028275247 /nfs/dbraw/zinc/27/52/47/1028275247.db2.gz SFJTXTKPBDAMBQ-HDJSIYSDSA-N 1 0 364.446 2.899 20 5 FFBDRO Cc1c(C(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000249948061 1028410523 /nfs/dbraw/zinc/41/05/23/1028410523.db2.gz ZUIGOERPKCBCHM-NEPJUHHUSA-N 1 0 364.402 2.662 20 5 FFBDRO O=[N+]([O-])c1ccc(C(F)(F)NC[C@]2(F)CCCC[NH2+]C2)nc1Cl ZINC001155116383 1028587080 /nfs/dbraw/zinc/58/70/80/1028587080.db2.gz ZGJIRSZENPUMLA-LBPRGKRZSA-N 1 0 352.744 2.764 20 5 FFBDRO CCOc1cc(N[C@H]2C[NH2+]CCC2(OCC)OCC)ccc1[N+](=O)[O-] ZINC001162737739 1028640609 /nfs/dbraw/zinc/64/06/09/1028640609.db2.gz RYAHLUWBAQDHNR-INIZCTEOSA-N 1 0 353.419 2.537 20 5 FFBDRO [NH3+]C[C@@H]1Cc2ccccc2CN1c1nc(Cl)nc(Cl)c1[N+](=O)[O-] ZINC001162740697 1028642175 /nfs/dbraw/zinc/64/21/75/1028642175.db2.gz NDQBGPMRAJUKHI-JTQLQIEISA-N 1 0 354.197 2.582 20 5 FFBDRO Cc1cc(Cl)nc(NC[C@H]2CCC3(CC[NH2+]CC3)CO2)c1[N+](=O)[O-] ZINC001155385180 1028713034 /nfs/dbraw/zinc/71/30/34/1028713034.db2.gz XCXBDUHMXIVPFO-GFCCVEGCSA-N 1 0 354.838 2.912 20 5 FFBDRO COc1c(F)cc(NC[C@@H]2CCC3(CC[NH2+]CC3)CO2)cc1[N+](=O)[O-] ZINC001162965836 1028736121 /nfs/dbraw/zinc/73/61/21/1028736121.db2.gz PGTBTXHGSGPZBY-ZDUSSCGKSA-N 1 0 353.394 2.703 20 5 FFBDRO O=[N+]([O-])c1c(Cl)ccc2nc(NCC[C@@H]3CCOC34C[NH2+]C4)ccc21 ZINC001155478621 1028754691 /nfs/dbraw/zinc/75/46/91/1028754691.db2.gz VWPGGDMLBWDTLJ-LLVKDONJSA-N 1 0 362.817 2.977 20 5 FFBDRO [NH3+]C[C@@H](CO)c1ccc(Nc2cc([N+](=O)[O-])cc3c(Cl)ncnc23)cc1 ZINC001163058513 1028780346 /nfs/dbraw/zinc/78/03/46/1028780346.db2.gz KQGAGBFAJBDPBP-NSHDSACASA-N 1 0 373.800 2.970 20 5 FFBDRO COc1cccc(N(c2ccc([N+](=O)[O-])c(OC)n2)C2CC[NH2+]CC2)c1 ZINC001155604109 1028813676 /nfs/dbraw/zinc/81/36/76/1028813676.db2.gz CFXXLCXVSPGTQZ-UHFFFAOYSA-N 1 0 358.398 2.897 20 5 FFBDRO O=[N+]([O-])c1cc(NCc2noc3c2C[NH2+]CC3)ccc1OC(F)(F)F ZINC001163131786 1028817189 /nfs/dbraw/zinc/81/71/89/1028817189.db2.gz LSZIHOGPYVDALA-UHFFFAOYSA-N 1 0 358.276 2.739 20 5 FFBDRO Cc1ccc(-c2ccc(N[C@H]3CCO[C@]4(CC[NH2+]C4)C3)nn2)cc1[N+](=O)[O-] ZINC001155626192 1028823585 /nfs/dbraw/zinc/82/35/85/1028823585.db2.gz SATNEBQQPZGWDB-HNAYVOBHSA-N 1 0 369.425 2.683 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2ccc(NC[C@H]3CO[C@@]4(C3)CCC[NH2+]C4)nn2)c1 ZINC001163279369 1028871418 /nfs/dbraw/zinc/87/14/18/1028871418.db2.gz MWHGKZFLUMJEOF-IFXJQAMLSA-N 1 0 369.425 2.622 20 5 FFBDRO C[NH2+]C1CN(C(F)(F)c2cc(-c3ccccc3[N+](=O)[O-])nnc2Cl)C1 ZINC001163706034 1029033588 /nfs/dbraw/zinc/03/35/88/1029033588.db2.gz SEJTWXQGUHMNKV-UHFFFAOYSA-N 1 0 369.759 2.658 20 5 FFBDRO CN1CCC(CNc2nc(Cl)cc(Cl)c2[N+](=O)[O-])([NH+](C)C)CC1 ZINC001156181962 1029078751 /nfs/dbraw/zinc/07/87/51/1029078751.db2.gz LMHSCIRLBZURGT-UHFFFAOYSA-N 1 0 362.261 2.735 20 5 FFBDRO CS(=O)(=O)N(c1cccc(C[NH3+])c1)c1nccc2cc([N+](=O)[O-])ccc21 ZINC001156489661 1029215018 /nfs/dbraw/zinc/21/50/18/1029215018.db2.gz BMXUFNIYQNAUMQ-UHFFFAOYSA-N 1 0 372.406 2.699 20 5 FFBDRO COC(=O)C1(Nc2nc3ccccc3c(Cl)c2[N+](=O)[O-])CC[NH2+]CC1 ZINC001156529396 1029232857 /nfs/dbraw/zinc/23/28/57/1029232857.db2.gz PZXNHWSBLANHSC-UHFFFAOYSA-N 1 0 364.789 2.504 20 5 FFBDRO Cc1cccc(Cl)c1C[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001164494776 1029298651 /nfs/dbraw/zinc/29/86/51/1029298651.db2.gz RPPBDRIRBBMGMA-CZUORRHYSA-N 1 0 365.861 2.690 20 5 FFBDRO O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC001165089415 1029379682 /nfs/dbraw/zinc/37/96/82/1029379682.db2.gz UNOIPYHBRCXXLH-GOEBONIOSA-N 1 0 374.828 2.592 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)c1 ZINC001165089303 1029381175 /nfs/dbraw/zinc/38/11/75/1029381175.db2.gz TUBMRDFKGLAKAP-GOEBONIOSA-N 1 0 374.828 2.592 20 5 FFBDRO O=[N+]([O-])c1ccc2nc(Cl)nc(NCC[NH+]3CCSCC3)c2c1 ZINC001157043726 1029449002 /nfs/dbraw/zinc/44/90/02/1029449002.db2.gz WRGPHMXVTPZACR-UHFFFAOYSA-N 1 0 353.835 2.652 20 5 FFBDRO CCOc1nc(N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C)ccc1[N+](=O)[O-] ZINC001157168923 1029490218 /nfs/dbraw/zinc/49/02/18/1029490218.db2.gz CGWKAEXTOQNYNE-LBPRGKRZSA-N 1 0 368.434 2.640 20 5 FFBDRO [NH3+]CCc1cn(-c2nc(Cl)nc(Cl)c2[N+](=O)[O-])c2ccc(O)cc12 ZINC001157218019 1029508056 /nfs/dbraw/zinc/50/80/56/1029508056.db2.gz GDDZUIJOQKCJAF-UHFFFAOYSA-N 1 0 368.180 2.842 20 5 FFBDRO Cc1ccc(-c2ccc(N3C[C@H]4[C@H](C3)CCC[N@H+]4C)nn2)cc1[N+](=O)[O-] ZINC001157269212 1029530905 /nfs/dbraw/zinc/53/09/05/1029530905.db2.gz ASLXSVVQUDUPGZ-YJBOKZPZSA-N 1 0 353.426 2.891 20 5 FFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H](CO)c2ccc(C(F)(F)F)cc2)c1 ZINC000782093166 1029565887 /nfs/dbraw/zinc/56/58/87/1029565887.db2.gz YUBOSNRILHYYJJ-CVEARBPZSA-N 1 0 370.327 2.970 20 5 FFBDRO Cc1ncc([N+](=O)[O-])c(N(Cc2ccc(F)cc2)C2CC[NH+](C)CC2)n1 ZINC001158449049 1029831323 /nfs/dbraw/zinc/83/13/23/1029831323.db2.gz NSBFCRYIJKIVRO-UHFFFAOYSA-N 1 0 359.405 2.933 20 5 FFBDRO C[NH+]1CCC(N(c2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])C2CCCC2)CC1 ZINC001158487581 1029840154 /nfs/dbraw/zinc/84/01/54/1029840154.db2.gz IFERDALLMZKZGA-UHFFFAOYSA-N 1 0 354.838 2.725 20 5 FFBDRO COc1ccc(C[NH2+][C@H](COC(N)=O)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000840961246 1029946429 /nfs/dbraw/zinc/94/64/29/1029946429.db2.gz TWRSOSXQFDQAFS-HNNXBMFYSA-N 1 0 359.382 2.814 20 5 FFBDRO COC(=O)c1cc(C)nc(NCC2C[NH+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC001165442169 1029983623 /nfs/dbraw/zinc/98/36/23/1029983623.db2.gz LLGLOBZHAGHFIH-UHFFFAOYSA-N 1 0 370.409 2.629 20 5 FFBDRO CC(C)(C)N(c1ncc([N+](=O)[O-])cc1F)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001165670231 1030076477 /nfs/dbraw/zinc/07/64/77/1030076477.db2.gz PLOPVHDQAWEXAE-CYBMUJFWSA-N 1 0 352.410 2.645 20 5 FFBDRO Cc1cccc(N(c2cc([N+](=O)[O-])ccn2)[C@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001165773163 1030118936 /nfs/dbraw/zinc/11/89/36/1030118936.db2.gz WJQLUCMXKNXNAE-MJGOQNOKSA-N 1 0 354.410 2.957 20 5 FFBDRO CS(=O)(=O)N(c1cccc(C[NH3+])c1)c1cc([N+](=O)[O-])cc2cc[nH]c21 ZINC001166470190 1030413253 /nfs/dbraw/zinc/41/32/53/1030413253.db2.gz BKIVFNQAIDJQGX-UHFFFAOYSA-N 1 0 360.395 2.633 20 5 FFBDRO N=c1nc([C@H]2CCC[NH2+]2)ccn1-c1cc(Cl)nc2ccc([N+](=O)[O-])cc21 ZINC001166703412 1030488205 /nfs/dbraw/zinc/48/82/05/1030488205.db2.gz STYNISXJHBPBLH-CYBMUJFWSA-N 1 0 370.800 2.886 20 5 FFBDRO N=c1sc2c(n1-c1ccc([N+](=O)[O-])c(-c3ccccc3)n1)CC[NH2+]C2 ZINC001166862571 1030553350 /nfs/dbraw/zinc/55/33/50/1030553350.db2.gz ZSZHUCNAYSPFRP-UHFFFAOYSA-N 1 0 353.407 2.634 20 5 FFBDRO CN(C)c1cc(F)c(C(=O)NCCC[NH2+]C2CCCCC2)cc1[N+](=O)[O-] ZINC000842232831 1030649962 /nfs/dbraw/zinc/64/99/62/1030649962.db2.gz MNNDCXBGGDZFLT-UHFFFAOYSA-N 1 0 366.437 2.842 20 5 FFBDRO CC(C)(O)CN1CC[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC001203352027 1030677944 /nfs/dbraw/zinc/67/79/44/1030677944.db2.gz NATMQKDPAIYUHB-HNNXBMFYSA-N 1 0 359.426 2.790 20 5 FFBDRO O=C(CN1CC[NH2+]C[C@H]1c1ccccc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000842479315 1030751941 /nfs/dbraw/zinc/75/19/41/1030751941.db2.gz ZBBXOWUIQQQAAH-KRWDZBQOSA-N 1 0 374.828 2.833 20 5 FFBDRO Cc1nn(C[N@@H+](C)C[C@@]2(O)CCc3ccccc32)c2ccc([N+](=O)[O-])cc12 ZINC000842623223 1030840576 /nfs/dbraw/zinc/84/05/76/1030840576.db2.gz LBCMRDZLTVIRHQ-FQEVSTJZSA-N 1 0 366.421 2.976 20 5 FFBDRO C[N@H+](Cn1ncc2cc([N+](=O)[O-])ccc21)C[C@]1(O)CCc2ccccc21 ZINC000842623979 1030844726 /nfs/dbraw/zinc/84/47/26/1030844726.db2.gz MCONMUJSPGEDSD-LJQANCHMSA-N 1 0 352.394 2.668 20 5 FFBDRO C[C@@H]1CC2(C[N@@H+]1CN1CCN(c3ccccc3[N+](=O)[O-])C1=O)CCOCC2 ZINC000842638383 1030866845 /nfs/dbraw/zinc/86/68/45/1030866845.db2.gz KLOYJDHCHBVKNP-OAHLLOKOSA-N 1 0 374.441 2.685 20 5 FFBDRO CN(c1ccccc1)c1ccc(C[NH2+][C@@]2(C)CCNC2=O)cc1[N+](=O)[O-] ZINC001203830916 1030916060 /nfs/dbraw/zinc/91/60/60/1030916060.db2.gz QPHIWUHJVMOEIZ-IBGZPJMESA-N 1 0 354.410 2.731 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@]2(CO)C[C@H]2c2ccc(F)cc2)cc1 ZINC000843110558 1031189614 /nfs/dbraw/zinc/18/96/14/1031189614.db2.gz NUNLNQVXCDHOEE-OTWHNJEPSA-N 1 0 360.385 2.523 20 5 FFBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000843501223 1031430629 /nfs/dbraw/zinc/43/06/29/1031430629.db2.gz KEXXEIPDUKPPID-KRWDZBQOSA-N 1 0 360.458 2.511 20 5 FFBDRO C[C@@H](OC(C)(C)C)[C@@H]([NH3+])C(=O)Nc1cc2nc3ccccc3nc2cc1N ZINC001218857470 1033378675 /nfs/dbraw/zinc/37/86/75/1033378675.db2.gz MVDWQGMTVCKEAW-ADLMAVQZSA-N 1 0 367.453 2.835 20 5 FFBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000312696212 1033680581 /nfs/dbraw/zinc/68/05/81/1033680581.db2.gz QZAGCVIEWWLYLF-MRXNPFEDSA-N 1 0 368.437 2.888 20 5 FFBDRO CCCC[NH+](CCCC)CCCO[C@@H]1COc2nc([N+](=O)[O-])cn2C1 ZINC001224755520 1033994336 /nfs/dbraw/zinc/99/43/36/1033994336.db2.gz OALUMJSOESUTKW-HNNXBMFYSA-N 1 0 354.451 2.861 20 5 FFBDRO CCO[C@@H]1C[C@H]([NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C12CCC2 ZINC000831315335 1034030469 /nfs/dbraw/zinc/03/04/69/1034030469.db2.gz XQGZGFCPTPWVGT-JKSUJKDBSA-N 1 0 365.405 3.000 20 5 FFBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000831538927 1034117408 /nfs/dbraw/zinc/11/74/08/1034117408.db2.gz JOPZITHWHBKKKJ-HNNXBMFYSA-N 1 0 372.381 2.544 20 5 FFBDRO O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000831698867 1034220506 /nfs/dbraw/zinc/22/05/06/1034220506.db2.gz BTGIAKXNIANHSB-ROUUACIJSA-N 1 0 361.442 2.542 20 5 FFBDRO O=c1cc[nH]c(O[C@H]2[C@@H]3CC[C@H]2C[N@@H+](Cc2ccccc2)C3)c1[N+](=O)[O-] ZINC001225667381 1034360198 /nfs/dbraw/zinc/36/01/98/1034360198.db2.gz RRHMZPJELQZTQM-HWWDLCQESA-N 1 0 355.394 2.985 20 5 FFBDRO COC(=O)c1cc(O[C@@H]2CCC[N@@H+](C(C)C)C2)c(OC)cc1[N+](=O)[O-] ZINC001226438539 1034683973 /nfs/dbraw/zinc/68/39/73/1034683973.db2.gz HNIKBVHWDYVJBN-GFCCVEGCSA-N 1 0 352.387 2.642 20 5 FFBDRO O=C(NCC12CCC[NH+]1CCC2)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000834754789 1035443058 /nfs/dbraw/zinc/44/30/58/1035443058.db2.gz ISCLMOUDNRIKLN-UHFFFAOYSA-N 1 0 358.442 2.553 20 5 FFBDRO O=C(O[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000835396344 1035744960 /nfs/dbraw/zinc/74/49/60/1035744960.db2.gz MFGJSKNLEAEVKH-HUUCEWRRSA-N 1 0 356.382 2.564 20 5 FFBDRO CC(=O)O[C@@H]1C[C@@H]2C[C@H](Oc3cc(Cl)cc([N+](=O)[O-])c3)C[C@H]1[N@@H+]2C ZINC001228258487 1036018498 /nfs/dbraw/zinc/01/84/98/1036018498.db2.gz ZTUJNGCWIOBWRU-DANNLKNASA-N 1 0 354.790 2.794 20 5 FFBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC001228333744 1036052699 /nfs/dbraw/zinc/05/26/99/1036052699.db2.gz AYIHFJMYRINYAT-OAHLLOKOSA-N 1 0 354.430 2.593 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])ccc1O[C@@H]1CC[N@@H+]([C@@H](C)c2ccccn2)C1 ZINC001229058666 1036477474 /nfs/dbraw/zinc/47/74/74/1036477474.db2.gz BYMNFRAQLCFWQX-DZGCQCFKSA-N 1 0 371.393 2.991 20 5 FFBDRO COCC[NH+]1CCC(Oc2ccc([N+](=O)[O-])c(Br)c2)CC1 ZINC001229085659 1036491705 /nfs/dbraw/zinc/49/17/05/1036491705.db2.gz GSSQTQSORDZQQV-UHFFFAOYSA-N 1 0 359.220 2.847 20 5 FFBDRO C[C@H](c1ccccc1)c1ccc(O)cc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001229693065 1036835022 /nfs/dbraw/zinc/83/50/22/1036835022.db2.gz YACKPARSUNKLMS-CRAIPNDOSA-O 1 0 358.458 2.907 20 5 FFBDRO CC(=O)O[C@@H]1C[C@@H]2C[C@H](Oc3nccc4c3cccc4[N+](=O)[O-])C[C@H]1[N@@H+]2C ZINC001234677284 1037137523 /nfs/dbraw/zinc/13/75/23/1037137523.db2.gz TYTHWVLGTKQLOL-RPLLJCPNSA-N 1 0 371.393 2.689 20 5 FFBDRO COc1cc(O)cc2oc3cc(O)c(O[C@H](C)C[NH+](C)C)cc3c(=O)c12 ZINC001234801145 1037185869 /nfs/dbraw/zinc/18/58/69/1037185869.db2.gz PIDVWHYLZRVVLT-SNVBAGLBSA-N 1 0 359.378 2.695 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(O[C@H]2CC[C@H]([NH+]3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC001230493637 1037293723 /nfs/dbraw/zinc/29/37/23/1037293723.db2.gz HVTROZAFROWGQE-HDJSIYSDSA-N 1 0 365.386 2.834 20 5 FFBDRO COc1cc(N2CCC([NH2+]CCn3nc(C)cc3C)CC2)ccc1[N+](=O)[O-] ZINC001256083421 1038369701 /nfs/dbraw/zinc/36/97/01/1038369701.db2.gz PJBSCGQDJQPGBD-UHFFFAOYSA-N 1 0 373.457 2.675 20 5 FFBDRO C[C@@H]1C[N@@H+](CCc2nnc(-c3cc(F)cc(F)c3[N+](=O)[O-])o2)C[C@H](C)O1 ZINC001258145253 1039224030 /nfs/dbraw/zinc/22/40/30/1039224030.db2.gz HGHGTJFEXORCHB-AOOOYVTPSA-N 1 0 368.340 2.575 20 5 FFBDRO Cc1ccc(-c2nnc(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)o2)c([N+](=O)[O-])c1C ZINC001258161601 1039239228 /nfs/dbraw/zinc/23/92/28/1039239228.db2.gz KDQDVNRGVRDQTG-BETUJISGSA-N 1 0 360.414 2.913 20 5 FFBDRO O=C(NCCC[NH2+][C@@H]1CCCNC1)c1c2ccccc2nc2ccccc21 ZINC001246482676 1039365296 /nfs/dbraw/zinc/36/52/96/1039365296.db2.gz HXXJZRFJXXTHDD-MRXNPFEDSA-N 1 0 362.477 2.850 20 5 FFBDRO COc1cc(N2CCC(N3CCCC[C@@]34CC[NH2+]C4)CC2)ccc1[N+](=O)[O-] ZINC001246648973 1039425848 /nfs/dbraw/zinc/42/58/48/1039425848.db2.gz NVNACSPGQFUDNE-FQEVSTJZSA-N 1 0 374.485 2.790 20 5 FFBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@@H]2[NH2+]CC[C@@H]2c2ccccc2)n1 ZINC001249288000 1040669133 /nfs/dbraw/zinc/66/91/33/1040669133.db2.gz NLPXFIUJLOAAKJ-TZMCWYRMSA-N 1 0 355.329 2.997 20 5 FFBDRO CN(C)c1cccc(-c2noc(C[C@@H]([NH3+])c3ccc([N+](=O)[O-])cc3)n2)c1 ZINC001249343371 1040692168 /nfs/dbraw/zinc/69/21/68/1040692168.db2.gz YLMFNCQPPPQUTE-MRXNPFEDSA-N 1 0 353.382 2.953 20 5 FFBDRO COc1cccc(-c2noc(C[C@@H]([NH3+])c3ccccc3[N+](=O)[O-])n2)c1OC ZINC001249341797 1040692956 /nfs/dbraw/zinc/69/29/56/1040692956.db2.gz BCNLHRQDPZRBDU-CYBMUJFWSA-N 1 0 370.365 2.905 20 5 FFBDRO COC(=O)[C@H]1CC[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001254467455 1040735519 /nfs/dbraw/zinc/73/55/19/1040735519.db2.gz BSEWRBXHVKMLDO-GASCZTMLSA-N 1 0 361.442 2.885 20 5 FFBDRO CC(C)(C)C(=O)N1CC[NH+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001254481653 1040746923 /nfs/dbraw/zinc/74/69/23/1040746923.db2.gz YBUXHLWJEBEQCZ-UHFFFAOYSA-N 1 0 374.485 2.754 20 5 FFBDRO CN1CCC2(CC[NH+](C3CCN(c4ccc([N+](=O)[O-])cc4)CC3)CC2)C1=O ZINC001254480147 1040747237 /nfs/dbraw/zinc/74/72/37/1040747237.db2.gz BMGAIMBXFCOADX-UHFFFAOYSA-N 1 0 372.469 2.508 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CN(c2ncnc3ccccc32)C1 ZINC001254548070 1040790992 /nfs/dbraw/zinc/79/09/92/1040790992.db2.gz YSIVOSKYTRGKCJ-CQSZACIVSA-N 1 0 363.421 2.947 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCC([NH3+])(Cc2ccccn2)CC1 ZINC001254546333 1040791048 /nfs/dbraw/zinc/79/10/48/1040791048.db2.gz RKOHBNCKCKKWLQ-INIZCTEOSA-N 1 0 354.454 2.957 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](CN1C(=O)CCC1=O)C(C)(C)C ZINC001254549619 1040792790 /nfs/dbraw/zinc/79/27/90/1040792790.db2.gz UQKJRQPLZJMXSC-XJKSGUPXSA-N 1 0 361.442 2.679 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H]2CN(c3cccnc3)C(=O)[C@H]2C1 ZINC001254558496 1040796635 /nfs/dbraw/zinc/79/66/35/1040796635.db2.gz BWSVRNGVIQWKPU-ZVZYQTTQSA-N 1 0 366.421 2.516 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@]2(CCN2c2ncccn2)C1 ZINC001254562720 1040798385 /nfs/dbraw/zinc/79/83/85/1040798385.db2.gz SYPSZJTYARKWOI-KXBFYZLASA-N 1 0 353.426 2.671 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]Cc1ccccc1CN1CCOCC1)C2 ZINC001254572035 1040809188 /nfs/dbraw/zinc/80/91/88/1040809188.db2.gz GRAJDOJIILNKPS-HXUWFJFHSA-N 1 0 367.449 2.684 20 5 FFBDRO O=C(c1ccccc1)N1CCC[C@H]([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254575643 1040810957 /nfs/dbraw/zinc/81/09/57/1040810957.db2.gz SBLSTPXNWUBSME-RBUKOAKNSA-N 1 0 365.433 2.956 20 5 FFBDRO CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)[C@H]2[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254572894 1040811011 /nfs/dbraw/zinc/81/10/11/1040811011.db2.gz UTTBUGALSVCRSZ-UIBIWLFHSA-N 1 0 373.453 2.907 20 5 FFBDRO CCS(=O)(=O)c1ccc(C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC001254578422 1040812984 /nfs/dbraw/zinc/81/29/84/1040812984.db2.gz LDURUCMHEYSGOC-MRXNPFEDSA-N 1 0 360.435 2.645 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]C1(Cc3cccnc3)CCOCC1)C2 ZINC001254587962 1040818384 /nfs/dbraw/zinc/81/83/84/1040818384.db2.gz SVYRXXRQIKHBQU-GOSISDBHSA-N 1 0 353.422 2.839 20 5 FFBDRO COc1cccc(CN2CC[C@H]([NH2+][C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)c1 ZINC001254587097 1040818787 /nfs/dbraw/zinc/81/87/87/1040818787.db2.gz VIGJHBXTPPNECZ-RBUKOAKNSA-N 1 0 367.449 2.935 20 5 FFBDRO O=C(N[C@H]1CC[C@H]([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1)C1CCC1 ZINC001254587990 1040818852 /nfs/dbraw/zinc/81/88/52/1040818852.db2.gz UJVNXXKLMFUKNT-BZSNNMDCSA-N 1 0 357.454 2.879 20 5 FFBDRO O=C(NC1CCC1)[C@H]1CC12CC[NH+]([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)CC2 ZINC001254595806 1040825507 /nfs/dbraw/zinc/82/55/07/1040825507.db2.gz MWVRYKMCHGHOBU-RTBURBONSA-N 1 0 369.465 2.833 20 5 FFBDRO COc1cc(O[C@H]2CC[N@@H+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)ccn1 ZINC001254605390 1040835363 /nfs/dbraw/zinc/83/53/63/1040835363.db2.gz BNQXGHOGWQDNMU-AEFFLSMTSA-N 1 0 355.394 2.619 20 5 FFBDRO COC(=O)[C@H]1C[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)Cc2ccccc21 ZINC001254609383 1040836236 /nfs/dbraw/zinc/83/62/36/1040836236.db2.gz VYBSYHDQMRBWLI-HKUYNNGSSA-N 1 0 352.390 2.834 20 5 FFBDRO Cc1cncnc1OC1CC[NH+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254610070 1040837423 /nfs/dbraw/zinc/83/74/23/1040837423.db2.gz HUJRDUKTDZETME-KRWDZBQOSA-N 1 0 354.410 2.704 20 5 FFBDRO Cc1cncnc1OC1CC[NH+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254610071 1040837469 /nfs/dbraw/zinc/83/74/69/1040837469.db2.gz HUJRDUKTDZETME-QGZVFWFLSA-N 1 0 354.410 2.704 20 5 FFBDRO C[C@@H](COc1ccccc1F)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC001261435936 1041235734 /nfs/dbraw/zinc/23/57/34/1041235734.db2.gz KSNLVZVKDYODIJ-ZFWWWQNUSA-N 1 0 364.373 2.531 20 5 FFBDRO CC[C@]1(C(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[NH2+]C1 ZINC001261451675 1041243645 /nfs/dbraw/zinc/24/36/45/1041243645.db2.gz DADMYPVCDVZPNL-HNNXBMFYSA-N 1 0 374.363 2.531 20 5 FFBDRO O=C(CCc1cc(F)ccc1[N+](=O)[O-])N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001263108796 1042107712 /nfs/dbraw/zinc/10/77/12/1042107712.db2.gz HIEMSCRKCZUQSP-HZPDHXFCSA-N 1 0 363.433 2.905 20 5 FFBDRO [NH3+]CC[C@@H](NC(=O)CCc1c(Cl)cccc1[N+](=O)[O-])C(F)(F)F ZINC001263109967 1042108870 /nfs/dbraw/zinc/10/88/70/1042108870.db2.gz KWDXDTKMDPHJON-LLVKDONJSA-N 1 0 353.728 2.577 20 5 FFBDRO COc1cc(F)c([N+](=O)[O-])cc1-c1nc(-c2ccc3c(n2)CC[NH2+]C3)no1 ZINC001216955310 1042171652 /nfs/dbraw/zinc/17/16/52/1042171652.db2.gz NJLNBTPQWGPDHA-UHFFFAOYSA-N 1 0 371.328 2.500 20 5 FFBDRO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])N1CC[C@]2(C1)CCCC[NH2+]2 ZINC001263225808 1042182029 /nfs/dbraw/zinc/18/20/29/1042182029.db2.gz YKLIVQNVKUJLQD-KRWDZBQOSA-N 1 0 351.834 2.925 20 5 FFBDRO Cc1cccc(CN2CCN(C(=O)Cc3cccc(F)c3[N+](=O)[O-])CC2)c1 ZINC001538712605 1070479853 /nfs/dbraw/zinc/47/98/53/1070479853.db2.gz KPQHGLGEZMRTJP-UHFFFAOYSA-N 1 0 371.412 2.929 20 5 FFBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)[C@@H](F)c3ccccc3)c2)CC1 ZINC001538741512 1070483674 /nfs/dbraw/zinc/48/36/74/1070483674.db2.gz NEEOHXPBHXIFAA-SFHVURJKSA-N 1 0 372.400 2.996 20 5 FFBDRO CN(C)c1ccc([C@H](C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)N(C)C)cc1 ZINC000905703688 1043782974 /nfs/dbraw/zinc/78/29/74/1043782974.db2.gz IWLYFYDBCAOESW-PMACEKPBSA-N 1 0 372.469 2.587 20 5 FFBDRO CCCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC[NH+](CCc2ccccc2)CC1 ZINC001317004100 1045047335 /nfs/dbraw/zinc/04/73/35/1045047335.db2.gz LWPPUVUESBFNEQ-RTBURBONSA-N 1 0 359.470 2.597 20 5 FFBDRO C[N@@H+]1CCCC[C@@H]1CNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC001539397626 1070631227 /nfs/dbraw/zinc/63/12/27/1070631227.db2.gz VEANEKQBKZMJLL-CYBMUJFWSA-N 1 0 355.822 2.618 20 5 FFBDRO O=C1C[C@H]([N@@H+]2CC[C@@H]3CCCC[C@@H]3C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC001318012020 1045191559 /nfs/dbraw/zinc/19/15/59/1045191559.db2.gz AEBIYFKNEGHRDO-VBQJREDUSA-N 1 0 357.410 2.739 20 5 FFBDRO C[N@@H+]1CC[C@@H](NC(=O)NCc2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(F)cc1 ZINC001319572159 1045199202 /nfs/dbraw/zinc/19/92/02/1045199202.db2.gz LQPYDBACRGDYRR-AEFFLSMTSA-N 1 0 372.400 2.979 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH+]2CCC(O)(Cc3ccccc3F)CC2)cc1 ZINC001321344660 1045632910 /nfs/dbraw/zinc/63/29/10/1045632910.db2.gz OHYCKLWGJMUPBF-IBGZPJMESA-N 1 0 374.412 2.837 20 5 FFBDRO CC(C)(C)CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 ZINC001323825838 1045741102 /nfs/dbraw/zinc/74/11/02/1045741102.db2.gz OGEPBLYNUQJAMX-HZPDHXFCSA-N 1 0 351.491 2.792 20 5 FFBDRO O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)C12CCC[NH+]1CCC2 ZINC001322274374 1046023670 /nfs/dbraw/zinc/02/36/70/1046023670.db2.gz VWRPXLMESNNTNK-UHFFFAOYSA-N 1 0 354.204 2.924 20 5 FFBDRO COc1ccccc1[C@H](CNc1c(C)cncc1[N+](=O)[O-])[NH+]1CCCC1 ZINC001322465111 1046093926 /nfs/dbraw/zinc/09/39/26/1046093926.db2.gz IFWUKLMYXIMWFN-INIZCTEOSA-N 1 0 356.426 2.978 20 5 FFBDRO CCC[N@H+](C)CC(C)(C)NC(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 ZINC001540070143 1070755299 /nfs/dbraw/zinc/75/52/99/1070755299.db2.gz YKWBOUUWGCZACG-UHFFFAOYSA-N 1 0 373.457 2.690 20 5 FFBDRO O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001324939346 1046297798 /nfs/dbraw/zinc/29/77/98/1046297798.db2.gz GFJZCRIBKAAVAB-GFCCVEGCSA-N 1 0 357.332 2.924 20 5 FFBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)NCC(F)(F)F)cc1[N+](=O)[O-] ZINC001324946238 1046300312 /nfs/dbraw/zinc/30/03/12/1046300312.db2.gz RMQNMKBRMVIESY-UWVGGRQHSA-N 1 0 363.336 2.711 20 5 FFBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)NCC(F)(F)F)cc1[N+](=O)[O-] ZINC001324946240 1046300983 /nfs/dbraw/zinc/30/09/83/1046300983.db2.gz RMQNMKBRMVIESY-ZJUUUORDSA-N 1 0 363.336 2.711 20 5 FFBDRO CC[NH+](CC)[C@H](CNC(=O)c1cc([N+](=O)[O-])cc(C)n1)Cc1ccccc1 ZINC001540509840 1070912538 /nfs/dbraw/zinc/91/25/38/1070912538.db2.gz VUTSRUXFUJHCQX-SFHVURJKSA-N 1 0 370.453 2.981 20 5 FFBDRO CCOc1cc(NC(=O)NC[C@@H]2CCC[N@H+](CC)C2)ccc1[N+](=O)[O-] ZINC001333506556 1048948306 /nfs/dbraw/zinc/94/83/06/1048948306.db2.gz HHNBXZVUJHKYOK-ZDUSSCGKSA-N 1 0 350.419 2.847 20 5 FFBDRO COc1ccc(CNC(=O)c2ccc(C[NH+]3CCCC3)o2)cc1[N+](=O)[O-] ZINC001291857498 1048953179 /nfs/dbraw/zinc/95/31/79/1048953179.db2.gz JMMBOSLIZOONBX-UHFFFAOYSA-N 1 0 359.382 2.722 20 5 FFBDRO C[C@@H]1C[C@H](C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)C[C@H](C)O1 ZINC001333850596 1049144732 /nfs/dbraw/zinc/14/47/32/1049144732.db2.gz INKNEIQZKAXPML-ZSHCYNCHSA-N 1 0 361.442 2.556 20 5 FFBDRO CC(C)(NC(=O)c1ccn(-c2cc[nH+]cc2)n1)c1ccccc1[N+](=O)[O-] ZINC001330459239 1049170246 /nfs/dbraw/zinc/17/02/46/1049170246.db2.gz JYLLEUJBWKANAH-UHFFFAOYSA-N 1 0 351.366 2.841 20 5 FFBDRO CC[C@]1(C(=O)NCc2ccc(Br)cc2[N+](=O)[O-])CCC[NH2+]1 ZINC001330961526 1049412903 /nfs/dbraw/zinc/41/29/03/1049412903.db2.gz SNBPPIFYAAHZNJ-CQSZACIVSA-N 1 0 356.220 2.506 20 5 FFBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC001334668595 1049515666 /nfs/dbraw/zinc/51/56/66/1049515666.db2.gz JSQWUFLCXQWTNR-MGPUTAFESA-N 1 0 372.469 2.785 20 5 FFBDRO CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[N@H+](CC)C1CC1 ZINC001295098675 1049878186 /nfs/dbraw/zinc/87/81/86/1049878186.db2.gz VYIOVABMNAGFRN-UHFFFAOYSA-N 1 0 358.446 2.794 20 5 FFBDRO Cc1ccc([C@H](C)[NH2+]CCN2C(=O)COc3ccccc32)cc1[N+](=O)[O-] ZINC001341684612 1050306801 /nfs/dbraw/zinc/30/68/01/1050306801.db2.gz PQJYBMXDRXKVNZ-AWEZNQCLSA-N 1 0 355.394 2.979 20 5 FFBDRO C[C@@H](NC(=O)[C@@H]1C[NH2+]C[C@H]1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC001341739324 1050358484 /nfs/dbraw/zinc/35/84/84/1050358484.db2.gz GFLBMOVYIXPRHV-LSBZLQRGSA-N 1 0 353.422 2.850 20 5 FFBDRO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC1CCN(c2cc[nH+]cc2)CC1 ZINC001340015849 1050427469 /nfs/dbraw/zinc/42/74/69/1050427469.db2.gz KSEHSEVEQFBPHQ-UHFFFAOYSA-N 1 0 370.335 2.823 20 5 FFBDRO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC001342318469 1050914538 /nfs/dbraw/zinc/91/45/38/1050914538.db2.gz LLMPQNIWZNCTDJ-CZUORRHYSA-N 1 0 351.834 2.781 20 5 FFBDRO O=C(c1csc([N+](=O)[O-])c1)N1C[C@@H](C[C@@H]2COCC[NH2+]2)c2ccccc21 ZINC001342758917 1051374705 /nfs/dbraw/zinc/37/47/05/1051374705.db2.gz SUPZEBQRSFFYGJ-TZMCWYRMSA-N 1 0 373.434 2.779 20 5 FFBDRO C[C@@H]1C[NH2+][C@@H](C)[C@@H](C)N1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001341145766 1051496086 /nfs/dbraw/zinc/49/60/86/1051496086.db2.gz RJLSLRGSABQCSK-GRYCIOLGSA-N 1 0 360.439 2.929 20 5 FFBDRO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC001341231963 1051592642 /nfs/dbraw/zinc/59/26/42/1051592642.db2.gz GQFAWHRRGCOAJV-IBGZPJMESA-N 1 0 358.442 2.553 20 5 FFBDRO O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC001341339819 1051695616 /nfs/dbraw/zinc/69/56/16/1051695616.db2.gz RYRYHGFJKWFVQJ-FQEVSTJZSA-N 1 0 372.469 2.556 20 5 FFBDRO [NH3+][C@@H]1CC[C@H](CNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C1 ZINC001341340970 1051696647 /nfs/dbraw/zinc/69/66/47/1051696647.db2.gz IKKHOSNOVLPQPS-GXFFZTMASA-N 1 0 371.387 2.817 20 5 FFBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)c1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC001306977739 1052230362 /nfs/dbraw/zinc/23/03/62/1052230362.db2.gz CKTWPMJMEJVYKF-AWEZNQCLSA-N 1 0 358.442 2.757 20 5 FFBDRO C[C@@H]1CCC[C@@H](C[N@H+](C)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001307851205 1052356647 /nfs/dbraw/zinc/35/66/47/1052356647.db2.gz MKCMRTSWOQVGEZ-HUUCEWRRSA-N 1 0 369.487 2.631 20 5 FFBDRO COc1cccc([C@@H]2CN(Cc3cc([N+](=O)[O-])ccc3OC)CC[NH2+]2)c1 ZINC001308022616 1052387003 /nfs/dbraw/zinc/38/70/03/1052387003.db2.gz QAVAGBHJVHHNLA-SFHVURJKSA-N 1 0 357.410 2.759 20 5 FFBDRO CN(C)c1c(F)c(F)ccc1CN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC001308747435 1052494539 /nfs/dbraw/zinc/49/45/39/1052494539.db2.gz QBMRAMARGLBSHZ-UHFFFAOYSA-N 1 0 350.369 2.904 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)[NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)cc1 ZINC001308932457 1052522017 /nfs/dbraw/zinc/52/20/17/1052522017.db2.gz YPGIGIKWIPMAFC-JQERWDHBSA-N 1 0 371.437 2.700 20 5 FFBDRO O=[N+]([O-])c1ccc(C(F)(F)F)cc1N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC001346068360 1052731461 /nfs/dbraw/zinc/73/14/61/1052731461.db2.gz MPDVNYXPZIHNJX-QWHCGFSZSA-N 1 0 359.348 2.649 20 5 FFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@](O)(c2ccccc2)C(F)(F)F)c1 ZINC001335367780 1053320572 /nfs/dbraw/zinc/32/05/72/1053320572.db2.gz VQSHJGBOQSDFKX-HOTGVXAUSA-N 1 0 370.327 2.668 20 5 FFBDRO C[C@@H](CNC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1)c1ccccc1[N+](=O)[O-] ZINC001335680517 1053502162 /nfs/dbraw/zinc/50/21/62/1053502162.db2.gz DUEGRNJLZRBNBV-YOEHRIQHSA-N 1 0 360.458 2.872 20 5 FFBDRO Nc1c(NC(=O)N2CCC[N@@H+]3CCC[C@H]3C2)cc(Cl)cc1[N+](=O)[O-] ZINC001347391924 1053928341 /nfs/dbraw/zinc/92/83/41/1053928341.db2.gz PHIPKYDRLJRHLV-NSHDSACASA-N 1 0 353.810 2.532 20 5 FFBDRO CCn1c([C@H](C)[N+](=O)[O-])nnc1N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC001356350447 1055466453 /nfs/dbraw/zinc/46/64/53/1055466453.db2.gz BFNVHVUSRNNGTH-GJZGRUSLSA-N 1 0 358.446 2.519 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@@](O)(c2ccccc2)C(F)(F)F)cc1 ZINC001356586691 1055598180 /nfs/dbraw/zinc/59/81/80/1055598180.db2.gz VWPZGMIANISAOH-JKSUJKDBSA-N 1 0 370.327 2.668 20 5 FFBDRO O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001338554834 1055619910 /nfs/dbraw/zinc/61/99/10/1055619910.db2.gz MHUWYYJQAHWOSW-INIZCTEOSA-N 1 0 361.445 2.992 20 5 FFBDRO C[C@@H](c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1CC1CC1)[N+](=O)[O-] ZINC001350518323 1055812534 /nfs/dbraw/zinc/81/25/34/1055812534.db2.gz MBABQHICOBBVFN-AWEZNQCLSA-N 1 0 364.494 2.584 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N[C@@H]3C[NH+]4CCC3CC4)cc2[N+](=O)[O-])CC1 ZINC001339102857 1056093957 /nfs/dbraw/zinc/09/39/57/1056093957.db2.gz ZPGYESOVBGYZNM-QGZVFWFLSA-N 1 0 372.469 2.655 20 5 FFBDRO [NH3+][C@@H]1CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC[C@@H]1C(F)(F)F ZINC001358130861 1056155390 /nfs/dbraw/zinc/15/53/90/1056155390.db2.gz SERVQTFQEIRFAX-VHSXEESVSA-N 1 0 351.712 2.600 20 5 FFBDRO CCn1c(-c2cccc([N+](=O)[O-])c2C)nnc1N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC001339235572 1056234583 /nfs/dbraw/zinc/23/45/83/1056234583.db2.gz WAKQCNJRQSGVKM-WMLDXEAASA-N 1 0 370.457 2.712 20 5 FFBDRO Cc1cc(C)c(OC(=O)c2ccnc(OCC[NH+](C)C)c2)c([N+](=O)[O-])c1 ZINC001353347705 1056319522 /nfs/dbraw/zinc/31/95/22/1056319522.db2.gz MGJLJJLBJUIQFH-UHFFFAOYSA-N 1 0 359.382 2.766 20 5 FFBDRO CC(C)[N@H+](C)CC1CCN(c2nnc(-c3ccc([N+](=O)[O-])o3)n2C)CC1 ZINC001339542569 1056565347 /nfs/dbraw/zinc/56/53/47/1056565347.db2.gz VNTGUDSBLUGHHM-UHFFFAOYSA-N 1 0 362.434 2.540 20 5 FFBDRO Cn1cc(COC(=O)c2ccc(C[NH+]3CCCCC3)cc2)c([N+](=O)[O-])n1 ZINC000847781334 1056610883 /nfs/dbraw/zinc/61/08/83/1056610883.db2.gz AKEPSEOHWVDKTM-UHFFFAOYSA-N 1 0 358.398 2.671 20 5 FFBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000538096317 1056795879 /nfs/dbraw/zinc/79/58/79/1056795879.db2.gz BLEGVECDXVMQOJ-UKRRQHHQSA-N 1 0 352.398 2.885 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849597328 1056937969 /nfs/dbraw/zinc/93/79/69/1056937969.db2.gz SFOVPIGLQNCLQH-HZPDHXFCSA-N 1 0 371.441 2.619 20 5 FFBDRO C[C@@H](C(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-])C(C)(F)F ZINC001518552930 1058420967 /nfs/dbraw/zinc/42/09/67/1058420967.db2.gz ZUNDGWQIWNDQAF-NSHDSACASA-N 1 0 356.373 2.576 20 5 FFBDRO CC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[NH+](Cc2sccc2Cl)CC1 ZINC001500424813 1058486102 /nfs/dbraw/zinc/48/61/02/1058486102.db2.gz SPINSMPIVXYHQM-DGCLKSJQSA-N 1 0 371.890 2.785 20 5 FFBDRO C[C@@H](COC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)[NH+]1CCCCC1 ZINC000847962408 1058526331 /nfs/dbraw/zinc/52/63/31/1058526331.db2.gz GDPVERWLISTBQU-AWEZNQCLSA-N 1 0 358.398 2.812 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)Nc2ccc(OCC[NH+](C)C)c(C)c2)n1 ZINC001451135733 1059085214 /nfs/dbraw/zinc/08/52/14/1059085214.db2.gz TYHOAHICUJWEPK-UHFFFAOYSA-N 1 0 358.398 2.799 20 5 FFBDRO COC1CCC([N@H+](C)CN2CC[C@H](c3ccc([N+](=O)[O-])cc3)C2=O)CC1 ZINC000848479090 1060107567 /nfs/dbraw/zinc/10/75/67/1060107567.db2.gz QMNWNJUTCUVSSQ-VMWRSERWSA-N 1 0 361.442 2.758 20 5 FFBDRO O=C1[C@@H](c2ccc([N+](=O)[O-])cc2)CCN1C[N@@H+]1CCCC2(CCOCC2)C1 ZINC000848479724 1060112650 /nfs/dbraw/zinc/11/26/50/1060112650.db2.gz JOYGMIBVFSAWGR-GOSISDBHSA-N 1 0 373.453 2.761 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@H]2CN(c3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)C[C@H]2C1 ZINC001355361569 1060169722 /nfs/dbraw/zinc/16/97/22/1060169722.db2.gz FVUILEFLQZFOPC-RRFJBIMHSA-N 1 0 358.442 2.646 20 5 FFBDRO CC(C)(C)OCCC[NH+]1CCN(c2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC001458559239 1060624111 /nfs/dbraw/zinc/62/41/11/1060624111.db2.gz UWDNQKOAARJXRF-UHFFFAOYSA-N 1 0 373.457 2.865 20 5 FFBDRO O=C(NC[C@@H]1[NH2+]CCc2ccccc21)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001521540947 1060949262 /nfs/dbraw/zinc/94/92/62/1060949262.db2.gz OEQYXNJAIWSOPD-FHWLQOOXSA-N 1 0 351.406 2.702 20 5 FFBDRO Cc1c(NC(=O)CC[N@@H+]2CC[C@@H](c3ncccn3)C2)cccc1[N+](=O)[O-] ZINC001460847048 1061128440 /nfs/dbraw/zinc/12/84/40/1061128440.db2.gz HMZLELURAPUFKQ-CQSZACIVSA-N 1 0 355.398 2.511 20 5 FFBDRO CCc1nnc(N(C)Cc2ccccc2[N+](=O)[O-])n1CC[N@@H+]1CCC[C@H]1C ZINC001546421695 1061132919 /nfs/dbraw/zinc/13/29/19/1061132919.db2.gz OWXLWSNIFPEMBC-OAHLLOKOSA-N 1 0 372.473 2.869 20 5 FFBDRO O=C1[C@H]([N@@H+]2CCCC[C@H]([C@@H]3CCOC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC001460925358 1061152244 /nfs/dbraw/zinc/15/22/44/1061152244.db2.gz SUKCCOSTYJWICJ-FRQCXROJSA-N 1 0 373.453 2.839 20 5 FFBDRO CCOc1cc(NC(=O)N[C@H]2CCCC[C@@H]2[NH+](C)C)ccc1[N+](=O)[O-] ZINC001476815299 1061486215 /nfs/dbraw/zinc/48/62/15/1061486215.db2.gz GHNGLNNTGKOLPL-KBPBESRZSA-N 1 0 350.419 2.988 20 5 FFBDRO C[C@H](C[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)CC1(C)OCCO1 ZINC001462504922 1061651700 /nfs/dbraw/zinc/65/17/00/1061651700.db2.gz RKQHQAKUOMRXST-KBPBESRZSA-N 1 0 365.430 2.691 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCC1(C[NH+](C)C)CCCC1 ZINC001463487562 1062126862 /nfs/dbraw/zinc/12/68/62/1062126862.db2.gz CUDUMJAFGCSWAB-UHFFFAOYSA-N 1 0 369.487 2.612 20 5 FFBDRO Cc1ccc(CNC(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC001479122644 1062238074 /nfs/dbraw/zinc/23/80/74/1062238074.db2.gz SCFOLCOLTNJIEI-AWEZNQCLSA-N 1 0 360.458 2.919 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC[C@@H]1[C@@H](C)C[NH+](C)C ZINC001464170400 1062461572 /nfs/dbraw/zinc/46/15/72/1062461572.db2.gz ZCTZTNROWBSCCZ-GOEBONIOSA-N 1 0 369.487 2.644 20 5 FFBDRO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)N1CC[NH+](CC2CC2)CC1 ZINC001464319277 1062544813 /nfs/dbraw/zinc/54/48/13/1062544813.db2.gz HNRLKKQKBINHME-UHFFFAOYSA-N 1 0 351.834 2.735 20 5 FFBDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)C1 ZINC001523937363 1062662849 /nfs/dbraw/zinc/66/28/49/1062662849.db2.gz OAXFGAUQLKXQTO-KBPBESRZSA-N 1 0 356.426 2.933 20 5 FFBDRO Cc1cc(NC(=O)NCc2ccnc(OCC[NH+](C)C)c2)cc([N+](=O)[O-])c1 ZINC001467529268 1063771255 /nfs/dbraw/zinc/77/12/55/1063771255.db2.gz CCXMNNXDIYQEJQ-UHFFFAOYSA-N 1 0 373.413 2.560 20 5 FFBDRO C[N@@H+]1CCN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CCC1(C)C ZINC001469560645 1064167853 /nfs/dbraw/zinc/16/78/53/1064167853.db2.gz XYEZJIXSVWBOFV-UHFFFAOYSA-N 1 0 368.865 2.916 20 5 FFBDRO Cc1c(CNC(=O)N[C@H](CC[NH+](C)C)c2cccnc2)cccc1[N+](=O)[O-] ZINC001469776399 1064208802 /nfs/dbraw/zinc/20/88/02/1064208802.db2.gz HWSANMIJPNVETL-QGZVFWFLSA-N 1 0 371.441 2.790 20 5 FFBDRO Cc1cccc(C[N@@H+]2CC[C@H](NC(=O)COc3cccc([N+](=O)[O-])c3)C2)c1 ZINC001470710394 1064421668 /nfs/dbraw/zinc/42/16/68/1064421668.db2.gz CTWJHLUFDXKYSW-KRWDZBQOSA-N 1 0 369.421 2.673 20 5 FFBDRO COC(=O)c1cnc(N[C@H]2CC[N@H+](Cc3cccc(C)c3)C2)c([N+](=O)[O-])c1 ZINC001472844318 1065155893 /nfs/dbraw/zinc/15/58/93/1065155893.db2.gz MOFVKUGGPPQJBB-INIZCTEOSA-N 1 0 370.409 2.771 20 5 FFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1CN1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC001474372734 1065505528 /nfs/dbraw/zinc/50/55/28/1065505528.db2.gz NNAYIAVDGRCIKM-ZBFHGGJFSA-N 1 0 373.375 2.645 20 5 FFBDRO CC1=C(C)CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H](C)C[NH3+])CC1 ZINC001576556519 1078243635 /nfs/dbraw/zinc/24/36/35/1078243635.db2.gz RUNXTYKFIWNOMK-ZDUSSCGKSA-N 1 0 370.457 2.995 20 5 FFBDRO CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC(F)(F)C[NH3+])C(C)C ZINC001577745490 1078393700 /nfs/dbraw/zinc/39/37/00/1078393700.db2.gz KGERZSOQFXMBKN-UHFFFAOYSA-N 1 0 368.388 2.682 20 5 FFBDRO C[NH2+]C[C@H]1CCCCN1C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC001578737927 1078525291 /nfs/dbraw/zinc/52/52/91/1078525291.db2.gz TZAGORHQRUICFN-LLVKDONJSA-N 1 0 356.220 2.571 20 5 FFBDRO COc1cc([N+](=O)[O-])cnc1NC(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC001579179969 1078581530 /nfs/dbraw/zinc/58/15/30/1078581530.db2.gz KIYNQUCXYNAMKB-ZDUSSCGKSA-N 1 0 356.382 2.629 20 5 FFBDRO COc1ccccc1[C@H]([NH3+])CNC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001579301303 1078613677 /nfs/dbraw/zinc/61/36/77/1078613677.db2.gz JMXBAJIWXXLAKV-IXDOHACOSA-N 1 0 355.394 2.523 20 5 FFBDRO COc1ccccc1[C@H]([NH3+])CNC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001579301300 1078613784 /nfs/dbraw/zinc/61/37/84/1078613784.db2.gz JMXBAJIWXXLAKV-BRWVUGGUSA-N 1 0 355.394 2.523 20 5 FFBDRO [NH3+]C[C@H](C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12)c1ccc(F)cc1 ZINC001580215193 1078767067 /nfs/dbraw/zinc/76/70/67/1078767067.db2.gz DSTHOLHHPLQQDC-AWEZNQCLSA-N 1 0 354.341 2.963 20 5 FFBDRO [NH3+][C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC2(F)CCC2)C1 ZINC001580414433 1078799112 /nfs/dbraw/zinc/79/91/12/1078799112.db2.gz AFMZHUSJAGSOKU-AWEZNQCLSA-N 1 0 374.420 2.673 20 5 FFBDRO O=C(Nc1ccc2c(c1)OCC[NH2+]C2)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC001580773713 1078858784 /nfs/dbraw/zinc/85/87/84/1078858784.db2.gz AXCOSSNPDGFSPC-UHFFFAOYSA-N 1 0 352.350 2.810 20 5 FFBDRO CC1CC[NH+](CC(=O)NCc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC001558129063 1075948113 /nfs/dbraw/zinc/94/81/13/1075948113.db2.gz WUYASWAAVHYTBR-UHFFFAOYSA-N 1 0 370.247 2.705 20 5 FFBDRO COc1ccccc1[C@@H](CNc1c([N+](=O)[O-])cnn1C)[NH+]1CCCCC1 ZINC001559075611 1076123259 /nfs/dbraw/zinc/12/32/59/1076123259.db2.gz OFUYTVQVLLRGOF-OAHLLOKOSA-N 1 0 359.430 2.976 20 5 FFBDRO C[NH2+]C1(CNc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])CCCCC1 ZINC001559265889 1076142066 /nfs/dbraw/zinc/14/20/66/1076142066.db2.gz HGFZCPSZPRMFKF-UHFFFAOYSA-N 1 0 371.441 2.894 20 5 FFBDRO Cc1cccc(C[C@]2(C)CCC[N@@H+]2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC001560040535 1076216086 /nfs/dbraw/zinc/21/60/86/1076216086.db2.gz SXXRILBUSUTIAY-MOPGFXCFSA-N 1 0 358.442 2.558 20 5 FFBDRO O=[N+]([O-])c1cccc(Br)c1CN1CC[NH+](CCCF)CC1 ZINC001560043848 1076216673 /nfs/dbraw/zinc/21/66/73/1076216673.db2.gz LYPVDHJCMAERMY-UHFFFAOYSA-N 1 0 360.227 2.835 20 5 FFBDRO Cc1cccc(C[C@]2(C)CCC[N@@H+]2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC001560040536 1076216697 /nfs/dbraw/zinc/21/66/97/1076216697.db2.gz SXXRILBUSUTIAY-OALUTQOASA-N 1 0 358.442 2.558 20 5 FFBDRO C[N@@H+]1CC[C@@H]2CN(Cc3cc([N+](=O)[O-])ccc3Br)CC[C@@H]21 ZINC001560077420 1076222847 /nfs/dbraw/zinc/22/28/47/1076222847.db2.gz KRUCUCPVRVOOQV-ABAIWWIYSA-N 1 0 354.248 2.883 20 5 FFBDRO O=C(C[NH2+]C1(CO)CCCCCCC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC001560082497 1076223479 /nfs/dbraw/zinc/22/34/79/1076223479.db2.gz CTSCOBMQQAGBOA-UHFFFAOYSA-N 1 0 361.442 2.549 20 5 FFBDRO COc1ccccc1C[C@](C)(CO)[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC001560102125 1076227274 /nfs/dbraw/zinc/22/72/74/1076227274.db2.gz FCPWYUXQXUHSQJ-LJQANCHMSA-N 1 0 360.410 2.566 20 5 FFBDRO Cc1c(NC(=O)CC[NH+]2CCC(c3cncn3C)CC2)cccc1[N+](=O)[O-] ZINC001560233769 1076253345 /nfs/dbraw/zinc/25/33/45/1076253345.db2.gz KWGUGHYUGJFWGW-UHFFFAOYSA-N 1 0 371.441 2.845 20 5 FFBDRO O=C1C[C@H]([NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CN1CC1CC1 ZINC001560983006 1076315932 /nfs/dbraw/zinc/31/59/32/1076315932.db2.gz NORKUWWQBDYPMR-NJAFHUGGSA-N 1 0 357.454 2.907 20 5 FFBDRO CC(C)[C@H]1C[C@H]([NH+]2CCCC2)CN1S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC001562011604 1076465824 /nfs/dbraw/zinc/46/58/24/1076465824.db2.gz XPMQIXWLQSEZJA-GXTWGEPZSA-N 1 0 373.500 2.540 20 5 FFBDRO CC[C@@H](NC(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-])C1CC1 ZINC001563310111 1076540918 /nfs/dbraw/zinc/54/09/18/1076540918.db2.gz LPBBAWQLCVDHGN-OAHLLOKOSA-N 1 0 361.446 2.657 20 5 FFBDRO CC1(C)CN(C(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)CC[NH2+]1 ZINC001566248479 1076937956 /nfs/dbraw/zinc/93/79/56/1076937956.db2.gz RBPTYHMHUMYWJF-UHFFFAOYSA-N 1 0 350.177 2.865 20 5 FFBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC001568640293 1077104404 /nfs/dbraw/zinc/10/44/04/1077104404.db2.gz CEOJGGFRUHLPLY-NSHDSACASA-N 1 0 372.828 2.820 20 5 FFBDRO C[N@@H+]1C[C@@]2(C)CN(C(=O)Cc3ccc(Cl)c([N+](=O)[O-])c3)C[C@@]2(C)C1 ZINC001586218492 1079576819 /nfs/dbraw/zinc/57/68/19/1079576819.db2.gz FNFFTRVICSESOE-CALCHBBNSA-N 1 0 351.834 2.591 20 5 FFBDRO Cc1nccn1-c1cc[nH+]cc1NC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC001586300793 1079594043 /nfs/dbraw/zinc/59/40/43/1079594043.db2.gz XCMCBIRSIGZDGH-UHFFFAOYSA-N 1 0 372.772 2.972 20 5 FFBDRO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NC1CC[NH+](Cc2cccnc2)CC1 ZINC001586367467 1079612556 /nfs/dbraw/zinc/61/25/56/1079612556.db2.gz BYTKSZACWHRREH-UHFFFAOYSA-N 1 0 372.400 2.832 20 5 FFBDRO C[C@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC001586693106 1079668976 /nfs/dbraw/zinc/66/89/76/1079668976.db2.gz JQFJSSNLHZBXJG-GXTWGEPZSA-N 1 0 363.414 2.658 20 5 FFBDRO C[C@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC001587761208 1079858547 /nfs/dbraw/zinc/85/85/47/1079858547.db2.gz KPPSSFZYUZVZKR-HOCLYGCPSA-N 1 0 373.457 2.666 20 5 FFBDRO COc1ccc(C(=O)NC2CC[NH+](CC3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000109373826 209304541 /nfs/dbraw/zinc/30/45/41/209304541.db2.gz LSBVSQCOQVLBRP-UHFFFAOYSA-N 1 0 361.442 2.988 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000072718092 249775173 /nfs/dbraw/zinc/77/51/73/249775173.db2.gz OHURNQGWNAWHLG-INIZCTEOSA-N 1 0 360.458 2.650 20 5 FFBDRO Cn1cc(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3O)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093479631 250036360 /nfs/dbraw/zinc/03/63/60/250036360.db2.gz HUGQXDHQGMHRFF-RTHVDDQRSA-N 1 0 356.426 2.588 20 5 FFBDRO CC(=O)N(C)C1CC[NH+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000104677176 250182449 /nfs/dbraw/zinc/18/24/49/250182449.db2.gz YYBUWUYNGHKMPQ-UHFFFAOYSA-N 1 0 372.425 2.735 20 5 FFBDRO CC[NH+]1CCN([C@@H]2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)C2)CC1 ZINC000106478892 250271782 /nfs/dbraw/zinc/27/17/82/250271782.db2.gz GHHGJPCMESVXMY-CQSZACIVSA-N 1 0 372.391 2.830 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)cc1C ZINC000106891193 250295777 /nfs/dbraw/zinc/29/57/77/250295777.db2.gz JXMMKJSWBRFXBN-CQSZACIVSA-N 1 0 367.471 2.507 20 5 FFBDRO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000153270333 251120772 /nfs/dbraw/zinc/12/07/72/251120772.db2.gz VEYIHSIALQBVGZ-AWEZNQCLSA-N 1 0 369.425 2.527 20 5 FFBDRO CN(CC[N@H+](C)C1CC1)C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000186804727 251267761 /nfs/dbraw/zinc/26/77/61/251267761.db2.gz RTJJXAZENAADGB-UHFFFAOYSA-N 1 0 356.220 2.524 20 5 FFBDRO C[NH+]1CCC([C@H]2CCN(C(=O)NCCc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000270258818 251503174 /nfs/dbraw/zinc/50/31/74/251503174.db2.gz CRLJCDHRTZZIAE-KRWDZBQOSA-N 1 0 360.458 2.511 20 5 FFBDRO C[NH+]1CCC(C)(CNC(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000272509111 252057088 /nfs/dbraw/zinc/05/70/88/252057088.db2.gz IPSWYMJLKRPZHU-UHFFFAOYSA-N 1 0 370.247 2.819 20 5 FFBDRO COc1cc(C[NH2+]C(C)(C)C(C)(C)O)c([N+](=O)[O-])cc1OCC(F)F ZINC000272596684 252076186 /nfs/dbraw/zinc/07/61/86/252076186.db2.gz NYHAOCBEPWSXLK-UHFFFAOYSA-N 1 0 362.373 2.886 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)cc1SC ZINC000272625321 252084438 /nfs/dbraw/zinc/08/44/38/252084438.db2.gz APXATACKJWAVFU-LLVKDONJSA-N 1 0 365.455 2.706 20 5 FFBDRO COc1ccc(NC(=O)CC2([NH+]3CCOCC3)CCCC2)cc1[N+](=O)[O-] ZINC000272870083 252152007 /nfs/dbraw/zinc/15/20/07/252152007.db2.gz ZMDVMDUWQGUTJR-UHFFFAOYSA-N 1 0 363.414 2.577 20 5 FFBDRO C[C@@H]([NH2+][C@@H]1CCCN(Cc2ccccn2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000272967314 252178227 /nfs/dbraw/zinc/17/82/27/252178227.db2.gz GTCPDNRCFWIURI-RDTXWAMCSA-N 1 0 354.410 2.832 20 5 FFBDRO C[C@H](Nc1ccc(C(=O)NC[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000273067772 252206798 /nfs/dbraw/zinc/20/67/98/252206798.db2.gz UVZLAEWWPWJISK-KBPBESRZSA-N 1 0 369.425 2.502 20 5 FFBDRO C[C@@H]([NH2+][C@@H](C)c1cnn(C)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000273257084 252265352 /nfs/dbraw/zinc/26/53/52/252265352.db2.gz CWUWXJADJKRSKJ-VHSXEESVSA-N 1 0 351.794 2.660 20 5 FFBDRO Cc1ccc(NC(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)cc1[N+](=O)[O-] ZINC000022063460 207794850 /nfs/dbraw/zinc/79/48/50/207794850.db2.gz GHWOXPOJAZVXAK-UHFFFAOYSA-N 1 0 368.437 2.903 20 5 in-vitro FFBDRO COc1ccc(C[NH+]2CCC(c3nnc4n3CCCC4)CC2)cc1[N+](=O)[O-] ZINC000274816492 255923099 /nfs/dbraw/zinc/92/30/99/255923099.db2.gz AJRVKFURIWTJJN-UHFFFAOYSA-N 1 0 371.441 2.911 20 5 FFBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000285731607 257001812 /nfs/dbraw/zinc/00/18/12/257001812.db2.gz XOSMOBABGLRCCN-JSGCOSHPSA-N 1 0 366.849 2.745 20 5 FFBDRO CS[C@@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@@H]1[NH+]1CCCC1 ZINC000275810993 256050522 /nfs/dbraw/zinc/05/05/22/256050522.db2.gz QAGVQHZPMOLNBB-LSDHHAIUSA-N 1 0 350.444 2.638 20 5 FFBDRO C[NH+](C)CCc1ccccc1NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000275923484 256059403 /nfs/dbraw/zinc/05/94/03/256059403.db2.gz XDVBPNFOVICUNC-UHFFFAOYSA-N 1 0 357.366 2.680 20 5 FFBDRO CCOCCOCC[N@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000276273777 256085647 /nfs/dbraw/zinc/08/56/47/256085647.db2.gz QLASNDCXKSQRJS-UHFFFAOYSA-N 1 0 363.414 2.777 20 5 FFBDRO CCc1cc(N2CC[C@@H](C)[S@@](=O)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000277219670 256173541 /nfs/dbraw/zinc/17/35/41/256173541.db2.gz RMXKOWKHVTYVLD-SRGMZFCMSA-N 1 0 374.466 2.962 20 5 FFBDRO O=C(NCC1CC[NH+](C2CC2)CC1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000278394414 256307501 /nfs/dbraw/zinc/30/75/01/256307501.db2.gz QNDSAWWOULKZQW-UHFFFAOYSA-N 1 0 372.469 2.799 20 5 FFBDRO O=[N+]([O-])c1ccc2[nH]c(NCc3ccccc3C[N@H+]3CC[C@@H](O)C3)nc2c1 ZINC000278431711 256312033 /nfs/dbraw/zinc/31/20/33/256312033.db2.gz JNRGVABUPYHPEM-MRXNPFEDSA-N 1 0 367.409 2.650 20 5 FFBDRO Cc1cc(NC(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000278338313 256301346 /nfs/dbraw/zinc/30/13/46/256301346.db2.gz BXECYHDCBKDUAV-CQSZACIVSA-N 1 0 362.430 2.620 20 5 FFBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)C1 ZINC000279155638 256388056 /nfs/dbraw/zinc/38/80/56/256388056.db2.gz HRETVXSZDRPOSU-CYBMUJFWSA-N 1 0 366.437 2.650 20 5 FFBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000285811588 257006184 /nfs/dbraw/zinc/00/61/84/257006184.db2.gz NJAVOBNTRHZPSU-CJNGLKHVSA-N 1 0 358.442 2.868 20 5 FFBDRO O=C(C[N@H+]1CCCC[C@@H]1[C@H]1CCCC[C@H]1O)Nc1ccccc1[N+](=O)[O-] ZINC000281021871 256595408 /nfs/dbraw/zinc/59/54/08/256595408.db2.gz OLUZARIJFNLIGP-QGPMSJSTSA-N 1 0 361.442 2.939 20 5 FFBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)CCOc2cc(C)ccc2[N+](=O)[O-])C1 ZINC000281666329 256652855 /nfs/dbraw/zinc/65/28/55/256652855.db2.gz SWWUYYAWKRZGKG-INIZCTEOSA-N 1 0 363.458 2.862 20 5 FFBDRO O=C1CC[C@H]([NH2+]CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C2(CCC2)N1 ZINC000282898490 256801440 /nfs/dbraw/zinc/80/14/40/256801440.db2.gz WTIAQPAGEJBAJI-INIZCTEOSA-N 1 0 370.409 2.583 20 5 FFBDRO C[N@H+](CCc1nc(-c2ccccc2)no1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000285880747 257009481 /nfs/dbraw/zinc/00/94/81/257009481.db2.gz JKCKREACFLNXFI-KRWDZBQOSA-N 1 0 368.393 2.853 20 5 FFBDRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000286347943 257032364 /nfs/dbraw/zinc/03/23/64/257032364.db2.gz BKQTUFGDJOHLPA-UHFFFAOYSA-N 1 0 360.414 2.851 20 5 FFBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1c1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000286473019 257038649 /nfs/dbraw/zinc/03/86/49/257038649.db2.gz VZVWVDZZNZZCTD-RDJZCZTQSA-N 1 0 372.469 2.894 20 5 FFBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000286619224 257046273 /nfs/dbraw/zinc/04/62/73/257046273.db2.gz AHNRLQKIWOWTRO-NVXWUHKLSA-N 1 0 372.469 2.894 20 5 FFBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC000287142801 257074383 /nfs/dbraw/zinc/07/43/83/257074383.db2.gz SIVLEZYOHVJAEY-ZOBUZTSGSA-N 1 0 366.483 2.720 20 5 FFBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000288169132 257154776 /nfs/dbraw/zinc/15/47/76/257154776.db2.gz AXNHWHDQOJUYDP-UONOGXRCSA-N 1 0 354.410 2.842 20 5 FFBDRO [NH3+]C[C@H]1CC[C@H](CNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000289351356 257275968 /nfs/dbraw/zinc/27/59/68/257275968.db2.gz YAABKURNHAJBEI-JOCQHMNTSA-N 1 0 369.849 2.898 20 5 FFBDRO C[C@@H]([NH2+]C[C@](C)(O)CNC(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000289378067 257277336 /nfs/dbraw/zinc/27/73/36/257277336.db2.gz PCNPQZYPIJWSLF-PXAZEXFGSA-N 1 0 353.419 2.521 20 5 FFBDRO C[C@@H]([NH2+]C[C@@](C)(O)CNC(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000289378071 257277354 /nfs/dbraw/zinc/27/73/54/257277354.db2.gz PCNPQZYPIJWSLF-SJKOYZFVSA-N 1 0 353.419 2.521 20 5 FFBDRO CC(C)(CO)[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1cccs1 ZINC000289474675 257283349 /nfs/dbraw/zinc/28/33/49/257283349.db2.gz ZGTUPQOMOAPPQQ-HNNXBMFYSA-N 1 0 363.439 2.605 20 5 FFBDRO Cc1ccc([C@H](C)[NH2+]C[C@@](C)(O)CNC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000289661478 257292555 /nfs/dbraw/zinc/29/25/55/257292555.db2.gz XYNLPGFVSHXGSL-SCLBCKFNSA-N 1 0 367.446 2.830 20 5 FFBDRO Cc1nc2ccccn2c(=O)c1CC[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000289663511 257292577 /nfs/dbraw/zinc/29/25/77/257292577.db2.gz YCOVWOFXJKWTEG-ZDUSSCGKSA-N 1 0 352.394 2.804 20 5 FFBDRO COCOc1ccc(OC)cc1CN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000289917435 257306426 /nfs/dbraw/zinc/30/64/26/257306426.db2.gz VLOQFQDUTMBZFE-UHFFFAOYSA-N 1 0 361.398 2.551 20 5 FFBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000290546232 257340085 /nfs/dbraw/zinc/34/00/85/257340085.db2.gz ORIGTMHQYFMPFY-SMDDNHRTSA-N 1 0 362.386 2.510 20 5 FFBDRO C[C@H]1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])[C@@H](C)[C@H]1[NH3+] ZINC000297320930 257816606 /nfs/dbraw/zinc/81/66/06/257816606.db2.gz GSXZDLFVTBWQRJ-RVBZMBCESA-N 1 0 356.220 2.555 20 5 FFBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000301126131 258027505 /nfs/dbraw/zinc/02/75/05/258027505.db2.gz VUPUYEAVIXEKEU-LBPRGKRZSA-N 1 0 374.466 2.875 20 5 FFBDRO Cc1nn(C)c(N2CCC[N@H+](CCCc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000301137719 258027817 /nfs/dbraw/zinc/02/78/17/258027817.db2.gz DBXNJJWVPRALJN-UHFFFAOYSA-N 1 0 357.458 2.782 20 5 FFBDRO CC(=O)c1ccc(N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)c([N+](=O)[O-])c1 ZINC000299691002 258017508 /nfs/dbraw/zinc/01/75/08/258017508.db2.gz NKGBZJDFZMHYLP-IYBDPMFKSA-N 1 0 374.485 2.792 20 5 FFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCS(=O)(=O)c3ccc(F)cc32)cc1 ZINC000326511954 258116184 /nfs/dbraw/zinc/11/61/84/258116184.db2.gz SAYMGSYAZGTEJY-INIZCTEOSA-N 1 0 364.398 2.785 20 5 FFBDRO COc1cc(F)c([N+](=O)[O-])c(N2CCCN(Cc3cscn3)CC2)c1 ZINC000301449521 258050301 /nfs/dbraw/zinc/05/03/01/258050301.db2.gz SCKMANRQSAPYMJ-UHFFFAOYSA-N 1 0 366.418 2.911 20 5 FFBDRO O=C1COc2cc([N+](=O)[O-])c(NC[C@H](c3ccco3)[NH+]3CCCC3)cc2N1 ZINC000301618386 258058956 /nfs/dbraw/zinc/05/89/56/258058956.db2.gz WPVDFLQLIKVATH-OAHLLOKOSA-N 1 0 372.381 2.768 20 5 FFBDRO CC(C)C[N@@H+]1CCO[C@H](CNc2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000301682240 258062833 /nfs/dbraw/zinc/06/28/33/258062833.db2.gz KEGDMXKCFQAKFU-GFCCVEGCSA-N 1 0 373.251 2.521 20 5 FFBDRO Cc1nc(N(C)CC[NH+]2CCN(c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000301689941 258063317 /nfs/dbraw/zinc/06/33/17/258063317.db2.gz YEBMXAACPPPODC-UHFFFAOYSA-N 1 0 355.442 2.557 20 5 FFBDRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000301809132 258069009 /nfs/dbraw/zinc/06/90/09/258069009.db2.gz XLDOOQIXRMEPGV-OKILXGFUSA-N 1 0 368.428 2.868 20 5 FFBDRO O=[N+]([O-])c1cnc2ccc(N[C@@H](C[NH+]3CCCC3)c3ccccc3)nn21 ZINC000301840489 258070278 /nfs/dbraw/zinc/07/02/78/258070278.db2.gz OXOIOALHIPSLOR-HNNXBMFYSA-N 1 0 352.398 2.887 20 5 FFBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C1 ZINC000301883662 258072747 /nfs/dbraw/zinc/07/27/47/258072747.db2.gz LEINFLFTARUVAS-OKILXGFUSA-N 1 0 369.487 2.778 20 5 FFBDRO O=[N+]([O-])c1cnc2ccc(N[C@@H]3CCC[N@H+](Cc4ccccc4)C3)nn21 ZINC000301946210 258077322 /nfs/dbraw/zinc/07/73/22/258077322.db2.gz XKAOWWFQOFCMFT-OAHLLOKOSA-N 1 0 352.398 2.714 20 5 FFBDRO C[C@H]1C[C@@H](Nc2ccc3ncc([N+](=O)[O-])n3n2)C[N@@H+]1Cc1ccccc1 ZINC000301975101 258079292 /nfs/dbraw/zinc/07/92/92/258079292.db2.gz VRNZXIZBMRZTPX-DZGCQCFKSA-N 1 0 352.398 2.712 20 5 FFBDRO C[C@@H]1C[NH+](CC2CCN(Cc3csc([N+](=O)[O-])c3)CC2)C[C@@H](C)O1 ZINC000330427434 258163807 /nfs/dbraw/zinc/16/38/07/258163807.db2.gz KLCXZVCISANDLQ-ZIAGYGMSSA-N 1 0 353.488 2.978 20 5 FFBDRO CS[C@H]1CN(C(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)C[C@H]1[NH+](C)C ZINC000330646134 258167354 /nfs/dbraw/zinc/16/73/54/258167354.db2.gz GTUFZISLINYBRT-KGLIPLIRSA-N 1 0 351.472 2.638 20 5 FFBDRO CC(C)[NH+]1CCC(N(C)C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000330809204 258171090 /nfs/dbraw/zinc/17/10/90/258171090.db2.gz MHPHYZZDXGRZTG-UHFFFAOYSA-N 1 0 355.385 2.747 20 5 FFBDRO C[C@H]1CCCC[N@@H+]1CCC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000332099837 258214204 /nfs/dbraw/zinc/21/42/04/258214204.db2.gz YGUAHYJQQJGTBI-INIZCTEOSA-N 1 0 360.458 2.508 20 5 FFBDRO C[NH+](C)CC1(CNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CCCC1 ZINC000332106535 258214256 /nfs/dbraw/zinc/21/42/56/258214256.db2.gz HYGDYNXXWNFPMZ-UHFFFAOYSA-N 1 0 360.458 2.785 20 5 FFBDRO CN1CC[NH+](CC2(C)CCN(Cc3ccc([N+](=O)[O-])cc3F)CC2)CC1 ZINC000332137633 258215644 /nfs/dbraw/zinc/21/56/44/258215644.db2.gz QBZVZWHGBULBPK-UHFFFAOYSA-N 1 0 364.465 2.583 20 5 FFBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000332164847 258217082 /nfs/dbraw/zinc/21/70/82/258217082.db2.gz KNUAWITVWHKRTD-AAEUAGOBSA-N 1 0 369.368 2.895 20 5 FFBDRO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000332238933 258220655 /nfs/dbraw/zinc/22/06/55/258220655.db2.gz OOBSNOVTJSRJRT-SUHUHFCYSA-N 1 0 355.232 2.950 20 5 FFBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000332295273 258223642 /nfs/dbraw/zinc/22/36/42/258223642.db2.gz LYSFUHOOKXORCL-CHWSQXEVSA-N 1 0 369.368 2.753 20 5 FFBDRO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000332474802 258231781 /nfs/dbraw/zinc/23/17/81/258231781.db2.gz KZQJCBUARLCRDO-GXTWGEPZSA-N 1 0 366.849 2.745 20 5 FFBDRO C[C@H]1C[C@H](NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[N@@H+]1C ZINC000332656359 258239413 /nfs/dbraw/zinc/23/94/13/258239413.db2.gz JQUOXJYLIIKZTB-WCQYABFASA-N 1 0 360.439 2.931 20 5 FFBDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000115060404 132247264 /nfs/dbraw/zinc/24/72/64/132247264.db2.gz DRDYQTCNUMEVOX-UHFFFAOYSA-N 1 0 368.437 2.836 20 5 FFBDRO O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000373055290 512151285 /nfs/dbraw/zinc/15/12/85/512151285.db2.gz XPLMBVYCEJEQHD-BXUZGUMPSA-N 1 0 358.423 2.542 20 5 FFBDRO CCOc1ccc(C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000032245616 506235823 /nfs/dbraw/zinc/23/58/23/506235823.db2.gz PHYSDWBVQIDNHH-QGZVFWFLSA-N 1 0 371.437 2.896 20 5 FFBDRO C[C@H](CNC(=O)COc1cccc([N+](=O)[O-])c1)[N@@H+]1CCc2ccccc2C1 ZINC000032369505 506246257 /nfs/dbraw/zinc/24/62/57/506246257.db2.gz LQMIMCKPVNLXDO-OAHLLOKOSA-N 1 0 369.421 2.537 20 5 FFBDRO C[NH+](C)C1(CNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CCCC1 ZINC000052936711 506282177 /nfs/dbraw/zinc/28/21/77/506282177.db2.gz IHYKXEBCWSKOMM-UHFFFAOYSA-N 1 0 374.485 2.802 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)Cc1cnc(C)s1 ZINC000053145761 506319983 /nfs/dbraw/zinc/31/99/83/506319983.db2.gz PUUWHTOSOZTQGG-UHFFFAOYSA-N 1 0 364.427 2.829 20 5 FFBDRO COc1cccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2OC)[NH+](C)C)c1 ZINC000053271325 506345088 /nfs/dbraw/zinc/34/50/88/506345088.db2.gz MDLNKJRKPNNVND-QGZVFWFLSA-N 1 0 373.409 2.645 20 5 FFBDRO C[NH+]1CCC2(CCCN(c3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)C2)CC1 ZINC000366837309 512210204 /nfs/dbraw/zinc/21/02/04/512210204.db2.gz SFGTXIJIJXQEPX-UHFFFAOYSA-N 1 0 358.442 2.792 20 5 FFBDRO C[C@@H]1[C@@H](NC(=O)c2cc([O-])ccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000377347243 512225814 /nfs/dbraw/zinc/22/58/14/512225814.db2.gz QVJKBELFWPQPOR-DYVFJYSZSA-N 1 0 355.394 2.693 20 5 FFBDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000373285941 512256348 /nfs/dbraw/zinc/25/63/48/512256348.db2.gz PWSIPULUJGREOR-CYBMUJFWSA-N 1 0 353.850 2.933 20 5 FFBDRO CC(C)[N@H+](C)CC1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000039563865 506454253 /nfs/dbraw/zinc/45/42/53/506454253.db2.gz DSOBAMDIVXFLDI-UHFFFAOYSA-N 1 0 362.474 2.976 20 5 FFBDRO COc1cc(C(=O)NCC(C)(C)[NH+]2CCCCC2)c([N+](=O)[O-])cc1OC ZINC000042159582 506603680 /nfs/dbraw/zinc/60/36/80/506603680.db2.gz JTMHERRJYFONSL-UHFFFAOYSA-N 1 0 365.430 2.606 20 5 FFBDRO CCC[NH+]1CCC(N(C)C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000067214440 506795743 /nfs/dbraw/zinc/79/57/43/506795743.db2.gz PHRNJUYGWHCIPJ-UHFFFAOYSA-N 1 0 371.441 2.727 20 5 FFBDRO C[C@H](CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)[NH+]1CCC(C)CC1 ZINC000067270548 506812100 /nfs/dbraw/zinc/81/21/00/506812100.db2.gz PPUUZRKCQLGOBQ-OAHLLOKOSA-N 1 0 371.441 2.631 20 5 FFBDRO O=[N+]([O-])c1ccc(OCCC[NH+]2CCN(c3ccccc3O)CC2)cc1 ZINC000055897590 506878472 /nfs/dbraw/zinc/87/84/72/506878472.db2.gz IAERSNRHXHSBSP-UHFFFAOYSA-N 1 0 357.410 2.892 20 5 FFBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000055935827 506891272 /nfs/dbraw/zinc/89/12/72/506891272.db2.gz SBESJKRJEPCFFS-HNNXBMFYSA-N 1 0 362.474 2.976 20 5 FFBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000067536291 506914221 /nfs/dbraw/zinc/91/42/21/506914221.db2.gz WXNBGAVNUZAVFT-KRWDZBQOSA-N 1 0 354.410 2.669 20 5 FFBDRO CC(C)(CNC(=O)NCCNc1ccc([N+](=O)[O-])cc1)[NH+]1CCCCC1 ZINC000045119044 506920785 /nfs/dbraw/zinc/92/07/85/506920785.db2.gz RRZUKRUYGBKXST-UHFFFAOYSA-N 1 0 363.462 2.570 20 5 FFBDRO C[C@H]1C[C@H](C)C[NH+](CCCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000056067418 506923516 /nfs/dbraw/zinc/92/35/16/506923516.db2.gz NKLBFXLIHVXYLD-GJZGRUSLSA-N 1 0 369.487 2.631 20 5 FFBDRO COc1ccc(CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000067790235 507009879 /nfs/dbraw/zinc/00/98/79/507009879.db2.gz FUUQCKTVXYLPPN-QGZVFWFLSA-N 1 0 357.410 2.565 20 5 FFBDRO CC[NH+](CC)CCNC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000015339786 507034453 /nfs/dbraw/zinc/03/44/53/507034453.db2.gz MMTYQEUCJUBGPK-UHFFFAOYSA-N 1 0 362.474 2.903 20 5 FFBDRO COc1ccc(CC(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000068111157 507116055 /nfs/dbraw/zinc/11/60/55/507116055.db2.gz XZNSYXPEUAOVLI-IFXJQAMLSA-N 1 0 363.458 2.773 20 5 FFBDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000068410430 507220188 /nfs/dbraw/zinc/22/01/88/507220188.db2.gz OIRXGTDNVFQBPR-OAHLLOKOSA-N 1 0 358.442 2.930 20 5 FFBDRO C[C@H](CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)[N@H+](C)C1CC1 ZINC000057705548 507311565 /nfs/dbraw/zinc/31/15/65/507311565.db2.gz UEUKNUVGWYBGAY-LLVKDONJSA-N 1 0 360.439 2.931 20 5 FFBDRO CC[NH+](CC)[C@H](CNC(=O)c1cc([N+](=O)[O-])cnc1C)Cc1ccccc1 ZINC000047508946 507347684 /nfs/dbraw/zinc/34/76/84/507347684.db2.gz YMIVMXVJZHSTLV-KRWDZBQOSA-N 1 0 370.453 2.981 20 5 FFBDRO COc1ccc([C@H](C)[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1F ZINC000024102449 507392763 /nfs/dbraw/zinc/39/27/63/507392763.db2.gz ZCPMAWFGMNPGIO-SWLSCSKDSA-N 1 0 364.373 2.833 20 5 FFBDRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)c1csc([N+](=O)[O-])c1 ZINC000059001080 507491201 /nfs/dbraw/zinc/49/12/01/507491201.db2.gz BUSDVGKANVZQME-UHFFFAOYSA-N 1 0 351.403 2.999 20 5 FFBDRO Cc1ccc(OCC[N@@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000025699655 507524202 /nfs/dbraw/zinc/52/42/02/507524202.db2.gz WAHNRPTVLWRIOQ-KRWDZBQOSA-N 1 0 360.410 2.654 20 5 FFBDRO CC[NH+]1CCC(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1 ZINC000026362533 507582018 /nfs/dbraw/zinc/58/20/18/507582018.db2.gz KTYRLRQYSSPZJD-UHFFFAOYSA-N 1 0 363.461 2.755 20 5 FFBDRO COc1ccc([C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)N2CCOCC2)cc1 ZINC000061013000 507589904 /nfs/dbraw/zinc/58/99/04/507589904.db2.gz ICOSZACONDZJPM-FQEVSTJZSA-N 1 0 371.437 2.767 20 5 FFBDRO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000049946321 507646024 /nfs/dbraw/zinc/64/60/24/507646024.db2.gz QPGSSUYAGICYCH-UHFFFAOYSA-N 1 0 362.474 2.515 20 5 FFBDRO C[NH+](C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1cccs1 ZINC000027676001 507676770 /nfs/dbraw/zinc/67/67/70/507676770.db2.gz GQHMAWZKZATQOE-ZDUSSCGKSA-N 1 0 364.383 2.597 20 5 FFBDRO CCCCNC(=O)[C@@H]1CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000051057497 507732551 /nfs/dbraw/zinc/73/25/51/507732551.db2.gz IJBYHRCTTGMDNE-MRXNPFEDSA-N 1 0 363.458 2.992 20 5 FFBDRO C[NH+](C)[C@@H](CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)C1CC1 ZINC000051375709 507765306 /nfs/dbraw/zinc/76/53/06/507765306.db2.gz PSPNYSBBDCDCKA-HNNXBMFYSA-N 1 0 360.439 2.788 20 5 FFBDRO C[NH+](C)[C@H](CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CC1 ZINC000051375714 507765696 /nfs/dbraw/zinc/76/56/96/507765696.db2.gz HIFHGHMEKQHQMC-OAHLLOKOSA-N 1 0 360.439 2.788 20 5 FFBDRO Cc1c(C[N@@H+](C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)cccc1[N+](=O)[O-] ZINC000051563275 507775279 /nfs/dbraw/zinc/77/52/79/507775279.db2.gz BSAOYBYRPOSDFZ-CYBMUJFWSA-N 1 0 363.439 2.744 20 5 FFBDRO C[C@H]1CCCC[N@@H+]1CCNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000064113321 507784964 /nfs/dbraw/zinc/78/49/64/507784964.db2.gz SAEJBSZWRSGASK-AWEZNQCLSA-N 1 0 371.441 2.846 20 5 FFBDRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1cc2ccccc2c2cccnc12 ZINC000064353925 507792323 /nfs/dbraw/zinc/79/23/23/507792323.db2.gz WRKNZRAVCLNKJA-DLBZAZTESA-N 1 0 361.445 2.981 20 5 FFBDRO O=C(COc1cccc([N+](=O)[O-])c1)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000031542245 507820059 /nfs/dbraw/zinc/82/00/59/507820059.db2.gz URTDOHVDQCEZLG-QGZVFWFLSA-N 1 0 369.421 2.754 20 5 FFBDRO COc1ccccc1OCC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072665143 507840131 /nfs/dbraw/zinc/84/01/31/507840131.db2.gz MWIJTBIKICGVKO-CQSZACIVSA-N 1 0 358.398 2.564 20 5 FFBDRO CCOc1ccc([C@@H](C)[NH2+]CCc2cccc(C(N)=O)c2)cc1[N+](=O)[O-] ZINC000089545827 507846734 /nfs/dbraw/zinc/84/67/34/507846734.db2.gz JFDXFUBOWODWNR-CYBMUJFWSA-N 1 0 357.410 2.986 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1C[C@H](C)S[C@@H](C)C1 ZINC000072770545 507851579 /nfs/dbraw/zinc/85/15/79/507851579.db2.gz CLIYKDPSLHOAPA-RYUDHWBXSA-N 1 0 353.444 2.758 20 5 FFBDRO COc1cc(N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)ccc1[N+](=O)[O-] ZINC000078291068 507856909 /nfs/dbraw/zinc/85/69/09/507856909.db2.gz JOWWZCCZXDYHMN-HNNXBMFYSA-N 1 0 371.441 2.621 20 5 FFBDRO Cn1ccnc1C[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000090004487 507900227 /nfs/dbraw/zinc/90/02/27/507900227.db2.gz RQFILFRXCUVBEG-CQSZACIVSA-N 1 0 372.425 2.650 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCCC[C@@H]2CCc2ccccc2)c1 ZINC000090010441 507901166 /nfs/dbraw/zinc/90/11/66/507901166.db2.gz GBJGMYMBMSWLBS-MJGOQNOKSA-N 1 0 358.442 2.640 20 5 FFBDRO C[C@H](CN1CC[NH+](C)CC1)Nc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000090091925 507908147 /nfs/dbraw/zinc/90/81/47/507908147.db2.gz LPBNXAGRTLMXIJ-OAHLLOKOSA-N 1 0 355.442 2.705 20 5 FFBDRO O=C(C[C@@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O)c1cccs1 ZINC000090559311 507927447 /nfs/dbraw/zinc/92/74/47/507927447.db2.gz SYDDCQVQUXFVAH-ZDUSSCGKSA-N 1 0 361.423 2.555 20 5 FFBDRO C[C@@H](Cn1cc(Br)cn1)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000090910009 507938909 /nfs/dbraw/zinc/93/89/09/507938909.db2.gz XEVKPIWEVRFRAU-NSHDSACASA-N 1 0 353.220 2.775 20 5 FFBDRO CN(CC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000079291220 507951469 /nfs/dbraw/zinc/95/14/69/507951469.db2.gz YZIKCQQQCRJXFS-KRWDZBQOSA-N 1 0 372.425 2.577 20 5 FFBDRO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1ccc(N3CCCC3)c([N+](=O)[O-])c1)C2 ZINC000073989080 507974466 /nfs/dbraw/zinc/97/44/66/507974466.db2.gz VKJJMSKEPQOCHM-JKSUJKDBSA-N 1 0 358.442 2.504 20 5 FFBDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000079576818 507977524 /nfs/dbraw/zinc/97/75/24/507977524.db2.gz GDOBPJMYXDZAPA-INIZCTEOSA-N 1 0 362.474 2.802 20 5 FFBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000091458746 507987448 /nfs/dbraw/zinc/98/74/48/507987448.db2.gz OQVKRXRFVXMQGB-FRRDWIJNSA-N 1 0 362.430 2.704 20 5 FFBDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)CCn2cc([N+](=O)[O-])nc2C)C1 ZINC000109966509 507998178 /nfs/dbraw/zinc/99/81/78/507998178.db2.gz OIGAYEISWJSYLK-OAHLLOKOSA-N 1 0 365.478 2.507 20 5 FFBDRO CC[N@H+](CCNC(=O)c1ccc(Br)cc1[N+](=O)[O-])C(C)C ZINC000079895839 508012456 /nfs/dbraw/zinc/01/24/56/508012456.db2.gz JOEQUXMVQAMLIU-UHFFFAOYSA-N 1 0 358.236 2.817 20 5 FFBDRO CC1CC[NH+](CCCCNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC1 ZINC000079927157 508016044 /nfs/dbraw/zinc/01/60/44/508016044.db2.gz YSLNJRHWMXWTGS-UHFFFAOYSA-N 1 0 359.430 2.755 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000092602498 508085983 /nfs/dbraw/zinc/08/59/83/508085983.db2.gz OGPLIYGOPGWWCZ-INIZCTEOSA-N 1 0 361.442 2.503 20 5 FFBDRO CCOc1cc(Sc2nnc([C@@H]3CCC[NH2+]C3)n2C)ccc1[N+](=O)[O-] ZINC000092655492 508091455 /nfs/dbraw/zinc/09/14/55/508091455.db2.gz IWLVACFFUQBEEZ-LLVKDONJSA-N 1 0 363.443 2.740 20 5 FFBDRO C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)C2 ZINC000080718117 508097629 /nfs/dbraw/zinc/09/76/29/508097629.db2.gz HWKGGLPOBUIUMW-ZNXRZULTSA-N 1 0 360.458 2.918 20 5 FFBDRO CCc1nn(C)c(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)c1[N+](=O)[O-] ZINC000092827661 508103427 /nfs/dbraw/zinc/10/34/27/508103427.db2.gz HVXCPJRJLFOXBJ-UHFFFAOYSA-N 1 0 361.421 2.742 20 5 FFBDRO CN1CC[N@H+](CCCNc2ccc([N+](=O)[O-])nc2)[C@H](c2ccccc2)C1 ZINC000075667779 508126517 /nfs/dbraw/zinc/12/65/17/508126517.db2.gz WKWAJUDDIXPOLG-SFHVURJKSA-N 1 0 355.442 2.781 20 5 FFBDRO CN1CC[C@@H]([NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(F)cc1 ZINC000377654653 512379788 /nfs/dbraw/zinc/37/97/88/512379788.db2.gz RMBZFZYEHPOJDX-APWZRJJASA-N 1 0 372.400 2.707 20 5 FFBDRO O=[N+]([O-])c1cc(C[N@@H+](CCO)CCCO)ccc1Oc1ccc(F)cc1 ZINC000093324067 508139421 /nfs/dbraw/zinc/13/94/21/508139421.db2.gz IDASRGBPLNJZDF-UHFFFAOYSA-N 1 0 364.373 2.703 20 5 FFBDRO CCc1nn(C)c(CC)c1C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000093534951 508148248 /nfs/dbraw/zinc/14/82/48/508148248.db2.gz TUAPCIQZFUUDQX-ZDUSSCGKSA-N 1 0 358.446 2.535 20 5 FFBDRO COc1ccc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1OC ZINC000093534594 508148586 /nfs/dbraw/zinc/14/85/86/508148586.db2.gz MPXBSXGTIZUYGG-AWEZNQCLSA-N 1 0 358.398 2.693 20 5 FFBDRO CC[C@@H](CO)[NH+]1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000093740011 508153807 /nfs/dbraw/zinc/15/38/07/508153807.db2.gz BCMAWCPTKDEBHI-HNNXBMFYSA-N 1 0 359.426 2.743 20 5 FFBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000081332052 508163691 /nfs/dbraw/zinc/16/36/91/508163691.db2.gz UYLYJUIJBSEJBF-MRXNPFEDSA-N 1 0 374.485 2.999 20 5 FFBDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000097152727 508219975 /nfs/dbraw/zinc/21/99/75/508219975.db2.gz DWXOYQCDNSFYKX-GFCCVEGCSA-N 1 0 359.430 2.711 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C(c2ccccc2)c2ccccc2)c1 ZINC000077221244 508288893 /nfs/dbraw/zinc/28/88/93/508288893.db2.gz YLOJAPUKGNOUKS-SFHVURJKSA-N 1 0 352.394 2.531 20 5 FFBDRO CC(C)C[C@H](CNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000114377781 508308149 /nfs/dbraw/zinc/30/81/49/508308149.db2.gz YJIYDSGRQYJPPN-MRXNPFEDSA-N 1 0 373.457 2.701 20 5 FFBDRO CCc1ccc(C(=O)NCCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000085457641 508309647 /nfs/dbraw/zinc/30/96/47/508309647.db2.gz LXUVWFSXHJEKAM-GASCZTMLSA-N 1 0 363.458 2.776 20 5 FFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000103605666 508318919 /nfs/dbraw/zinc/31/89/19/508318919.db2.gz VAFARXHKTGBACI-INIZCTEOSA-N 1 0 360.458 2.999 20 5 FFBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000115274691 508380485 /nfs/dbraw/zinc/38/04/85/508380485.db2.gz SIQAKKVFOIKCFY-PBHICJAKSA-N 1 0 363.458 2.770 20 5 FFBDRO COc1cc(C[N@@H+]2CC[C@H](Nc3ncccc3[N+](=O)[O-])C2)cc(OC)c1 ZINC000088751358 508381590 /nfs/dbraw/zinc/38/15/90/508381590.db2.gz SPAXHJKSNWQSRM-AWEZNQCLSA-N 1 0 358.398 2.693 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)c1 ZINC000152280872 508414831 /nfs/dbraw/zinc/41/48/31/508414831.db2.gz KBNAVHRAMPMIFJ-GOEBONIOSA-N 1 0 357.414 2.503 20 5 FFBDRO C[C@@H](O)C[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)C[C@@H]1C ZINC000133563815 508417445 /nfs/dbraw/zinc/41/74/45/508417445.db2.gz CIMDWRUNRRLFTO-UONOGXRCSA-N 1 0 351.447 2.663 20 5 FFBDRO C[NH+](C)CCn1cc(NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cn1 ZINC000127384091 508442010 /nfs/dbraw/zinc/44/20/10/508442010.db2.gz SFHVZWZGKOQKJD-UHFFFAOYSA-N 1 0 352.782 2.650 20 5 FFBDRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000133774900 508447529 /nfs/dbraw/zinc/44/75/29/508447529.db2.gz RKNZWISIAGOVIL-CYBMUJFWSA-N 1 0 370.837 2.823 20 5 FFBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@@H](c3nncn3C3CC3)C2)c1 ZINC000152454515 508450227 /nfs/dbraw/zinc/45/02/27/508450227.db2.gz NNPNIXXICKMANO-CQSZACIVSA-N 1 0 357.414 2.780 20 5 FFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@](C)(O)c1cccs1 ZINC000156941804 508500727 /nfs/dbraw/zinc/50/07/27/508500727.db2.gz SVKUUGSFLKRJLM-SJKOYZFVSA-N 1 0 363.439 2.871 20 5 FFBDRO C[NH+](C)CC(C)(C)CNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116718128 508550853 /nfs/dbraw/zinc/55/08/53/508550853.db2.gz WSNYDKIDTYFKIJ-UHFFFAOYSA-N 1 0 357.838 2.721 20 5 FFBDRO C[NH+](C)Cc1ccnc(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)c1 ZINC000157411064 508563237 /nfs/dbraw/zinc/56/32/37/508563237.db2.gz WZEFTEZPLSYBJF-UHFFFAOYSA-N 1 0 351.366 2.852 20 5 FFBDRO Cc1cc(C(=O)NCc2ccccc2OCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000122786283 508586644 /nfs/dbraw/zinc/58/66/44/508586644.db2.gz AZYWIIGLCWOKNA-UHFFFAOYSA-N 1 0 357.410 2.774 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000122869451 508599776 /nfs/dbraw/zinc/59/97/76/508599776.db2.gz JOMUZRXDUWQKCF-OAHLLOKOSA-N 1 0 372.425 2.898 20 5 FFBDRO NC(=O)N1CCC[N@H+](Cc2cc(=O)oc3ccc4ccccc4c23)CC1 ZINC000153585291 508603323 /nfs/dbraw/zinc/60/33/23/508603323.db2.gz IOYQWGVGRBYPNV-UHFFFAOYSA-N 1 0 351.406 2.533 20 5 FFBDRO COc1ccc(OCC[NH2+][C@H]2CCCC[C@H]2n2cccn2)c([N+](=O)[O-])c1 ZINC000129000952 508668609 /nfs/dbraw/zinc/66/86/09/508668609.db2.gz NXWJGINBTDITQY-JKSUJKDBSA-N 1 0 360.414 2.952 20 5 FFBDRO Cc1ccc(CN2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cc1[N+](=O)[O-] ZINC000377705561 512410080 /nfs/dbraw/zinc/41/00/80/512410080.db2.gz XOJINNRIFGPUNO-DFNIBXOVSA-N 1 0 358.486 2.646 20 5 FFBDRO O=C(C[N@@H+]1CC[C@H](c2ccccc2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000123388248 508679533 /nfs/dbraw/zinc/67/95/33/508679533.db2.gz DYDMSUQTCAILKC-KRWDZBQOSA-N 1 0 351.406 2.973 20 5 FFBDRO C[NH+](C)Cc1ccc(CNC(=O)CCOc2ccccc2[N+](=O)[O-])cc1 ZINC000129085803 508680456 /nfs/dbraw/zinc/68/04/56/508680456.db2.gz GJUSDUNEXHJTQD-UHFFFAOYSA-N 1 0 357.410 2.742 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+]C(C)(C)c1nccs1 ZINC000118848063 508684299 /nfs/dbraw/zinc/68/42/99/508684299.db2.gz CJPMSDBYLOBURU-UHFFFAOYSA-N 1 0 364.427 2.913 20 5 FFBDRO CCC[N@@H+]1CC[C@H](CNC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000158595958 508725786 /nfs/dbraw/zinc/72/57/86/508725786.db2.gz JHXHZGVBCWSGJM-QGZVFWFLSA-N 1 0 362.474 2.949 20 5 FFBDRO CC(C)C[C@H](Nc1ccc([N+](=O)[O-])c2cnccc12)C(=O)NCC[NH+](C)C ZINC000129490197 508732246 /nfs/dbraw/zinc/73/22/46/508732246.db2.gz FDTPHKOUDVYJFR-KRWDZBQOSA-N 1 0 373.457 2.647 20 5 FFBDRO C[NH2+]C[C@H]1CCCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000159099481 508792208 /nfs/dbraw/zinc/79/22/08/508792208.db2.gz CSBLETDZZUOSCP-GFCCVEGCSA-N 1 0 360.439 2.790 20 5 FFBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCOC2(CCCC2)C1 ZINC000139697981 508793374 /nfs/dbraw/zinc/79/33/74/508793374.db2.gz BILQWNRELNXJPI-UHFFFAOYSA-N 1 0 361.398 2.538 20 5 FFBDRO CC(C)[NH+](CCNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(C)C ZINC000119512444 508810608 /nfs/dbraw/zinc/81/06/08/508810608.db2.gz OGNWBHPWEZWOLE-UHFFFAOYSA-N 1 0 363.867 2.645 20 5 FFBDRO C[NH+](C)Cc1cc(CNC(=O)NCCc2cccc([N+](=O)[O-])c2)ccc1F ZINC000119541805 508815482 /nfs/dbraw/zinc/81/54/82/508815482.db2.gz POGUEVJDYVAWBX-UHFFFAOYSA-N 1 0 374.416 2.837 20 5 FFBDRO Cc1c(C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000119676056 508841632 /nfs/dbraw/zinc/84/16/32/508841632.db2.gz UHDZPNVVUZGSRP-ZDUSSCGKSA-N 1 0 364.402 2.519 20 5 FFBDRO C[C@@H]1C[NH2+]CCN1C(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000124566982 508852506 /nfs/dbraw/zinc/85/25/06/508852506.db2.gz DWILAGJESUTVGP-SOUVJXGZSA-N 1 0 360.458 2.511 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000119823170 508869814 /nfs/dbraw/zinc/86/98/14/508869814.db2.gz VYTHWQZPTUEXAG-UHFFFAOYSA-N 1 0 364.446 2.522 20 5 FFBDRO CN(CCOc1cccc([N+](=O)[O-])c1)Cc1cn(C)nc1C(F)(F)F ZINC000154969040 508894455 /nfs/dbraw/zinc/89/44/55/508894455.db2.gz HKUHHBSPNCGQIR-UHFFFAOYSA-N 1 0 358.320 2.858 20 5 FFBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@H](OCC(C)C)C2)c([N+](=O)[O-])c1 ZINC000120075772 508923426 /nfs/dbraw/zinc/92/34/26/508923426.db2.gz PBXCENYUNPKSMB-HNNXBMFYSA-N 1 0 365.430 2.679 20 5 FFBDRO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000377740610 512427716 /nfs/dbraw/zinc/42/77/16/512427716.db2.gz DBYLOOGVPUBXKN-HNNXBMFYSA-N 1 0 358.442 2.631 20 5 FFBDRO C[C@H]1CCC[N@H+](CCCCNC(=O)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000131649298 508957040 /nfs/dbraw/zinc/95/70/40/508957040.db2.gz SQQBNEXGGBDPAG-AWEZNQCLSA-N 1 0 351.422 2.905 20 5 FFBDRO COc1cc(C[NH2+]C2(CO)CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000120339487 508976522 /nfs/dbraw/zinc/97/65/22/508976522.db2.gz KMLRWFHKFHJFRM-UHFFFAOYSA-N 1 0 358.394 2.797 20 5 FFBDRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000132213811 509005536 /nfs/dbraw/zinc/00/55/36/509005536.db2.gz ZSIDSZQTBWXOLQ-MRXNPFEDSA-N 1 0 373.478 2.976 20 5 FFBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000125778020 509028646 /nfs/dbraw/zinc/02/86/46/509028646.db2.gz ZSRHHPPTLJVTLW-HNNXBMFYSA-N 1 0 371.441 2.631 20 5 FFBDRO COc1ccc(CNC(=O)C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000160977980 509055573 /nfs/dbraw/zinc/05/55/73/509055573.db2.gz WPGSIQQFPIKAHS-AWEZNQCLSA-N 1 0 357.410 2.879 20 5 FFBDRO CCC(CC)(C[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C(=O)OC ZINC000120782513 509063444 /nfs/dbraw/zinc/06/34/44/509063444.db2.gz DBGGUBJLWZVZHS-UHFFFAOYSA-N 1 0 371.821 2.756 20 5 FFBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000151725154 509073247 /nfs/dbraw/zinc/07/32/47/509073247.db2.gz BPVBKZROFFZSRY-UHFFFAOYSA-N 1 0 369.487 2.556 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC2CCC(C[NH+](C)C)CC2)cc1C ZINC000151796221 509085194 /nfs/dbraw/zinc/08/51/94/509085194.db2.gz WMQZWQLYYBLEAD-UHFFFAOYSA-N 1 0 369.487 2.610 20 5 FFBDRO O=[N+]([O-])c1cnc(NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c(Cl)c1 ZINC000132967007 509098040 /nfs/dbraw/zinc/09/80/40/509098040.db2.gz WKVNKGLMXCMSCW-CABCVRRESA-N 1 0 354.838 2.823 20 5 FFBDRO CC(C)c1ccc([C@H]([NH3+])CNC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 ZINC000151958747 509118726 /nfs/dbraw/zinc/11/87/26/509118726.db2.gz WFYACUXCVCMECR-GOSISDBHSA-N 1 0 357.410 2.913 20 5 FFBDRO CC(C)=CCC[C@@H](C)[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000162102897 509172516 /nfs/dbraw/zinc/17/25/16/509172516.db2.gz KVUAXRRPFGUIKK-CQSZACIVSA-N 1 0 355.460 2.598 20 5 FFBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000266773658 509187552 /nfs/dbraw/zinc/18/75/52/509187552.db2.gz XWOBZLIRZYKKOG-CVEARBPZSA-N 1 0 360.458 2.730 20 5 FFBDRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000266776909 509188470 /nfs/dbraw/zinc/18/84/70/509188470.db2.gz BVUGZZUIESZVRM-STQMWFEESA-N 1 0 363.439 2.915 20 5 FFBDRO COc1cccc(F)c1[C@H](C)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182434527 509235654 /nfs/dbraw/zinc/23/56/54/509235654.db2.gz LONQOHWBDZBDDI-QWHCGFSZSA-N 1 0 364.373 2.833 20 5 FFBDRO Cn1cc(N2CCC[C@@H]([NH2+][C@H](Cc3ccccc3[N+](=O)[O-])C3CC3)C2)cn1 ZINC000248138480 509243278 /nfs/dbraw/zinc/24/32/78/509243278.db2.gz PIKBXZKUTJYAPY-IEBWSBKVSA-N 1 0 369.469 2.908 20 5 FFBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000162973141 509325988 /nfs/dbraw/zinc/32/59/88/509325988.db2.gz AYXOYYYVYTUQIH-GFCCVEGCSA-N 1 0 370.247 2.880 20 5 FFBDRO CCC[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C[C@@H]1CCCCO1 ZINC000248447715 509326219 /nfs/dbraw/zinc/32/62/19/509326219.db2.gz HKDMMOJWTYNQEY-CVEARBPZSA-N 1 0 352.431 2.616 20 5 FFBDRO C[C@H](Cc1ccc(O)cc1)[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248476036 509337875 /nfs/dbraw/zinc/33/78/75/509337875.db2.gz YBCGXCRPLKEUMI-RHSMWYFYSA-N 1 0 360.410 2.603 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(CN3CCOCC3)cc2)c1 ZINC000173009867 509348258 /nfs/dbraw/zinc/34/82/58/509348258.db2.gz CWURWMDEPIRAPE-UHFFFAOYSA-N 1 0 355.394 2.988 20 5 FFBDRO C[C@@H]([NH2+]CC(=O)N1CCN(c2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000163368320 509368799 /nfs/dbraw/zinc/36/87/99/509368799.db2.gz HGDIDCINLMKWRQ-MRXNPFEDSA-N 1 0 368.437 2.594 20 5 FFBDRO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000248604803 509386130 /nfs/dbraw/zinc/38/61/30/509386130.db2.gz FCOBEKFUDLGRNR-IAQYHMDHSA-N 1 0 354.838 2.776 20 5 FFBDRO C[C@H]1C[C@@H]([N@H+](C)CCn2ccc([N+](=O)[O-])n2)CCN1Cc1ccccc1 ZINC000176251037 509402656 /nfs/dbraw/zinc/40/26/56/509402656.db2.gz KBFZPODSEAHQJZ-WMZOPIPTSA-N 1 0 357.458 2.776 20 5 FFBDRO C[N@@H+]1CCC[C@@H]2CN(c3ncc(Br)cc3[N+](=O)[O-])CC[C@H]21 ZINC000227347187 509408940 /nfs/dbraw/zinc/40/89/40/509408940.db2.gz JRMUEUOWXNDUTD-ZYHUDNBSSA-N 1 0 355.236 2.673 20 5 FFBDRO O=C(Cc1ccccc1[N+](=O)[O-])NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000264281395 509432074 /nfs/dbraw/zinc/43/20/74/509432074.db2.gz IHQJSKYTKCQPNL-SFHVURJKSA-N 1 0 367.449 2.818 20 5 FFBDRO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000186013107 509479865 /nfs/dbraw/zinc/47/98/65/509479865.db2.gz NRTMMNYWPMHBNV-CQSZACIVSA-N 1 0 354.838 2.874 20 5 FFBDRO COc1ccc(NC(=O)C[NH2+][C@@H]2CCCc3c(O)cccc32)c([N+](=O)[O-])c1 ZINC000192357065 509480534 /nfs/dbraw/zinc/48/05/34/509480534.db2.gz ZYDCKMCDGJCNGW-OAHLLOKOSA-N 1 0 371.393 2.915 20 5 FFBDRO COC(=O)c1cnc(NC[C@@H](C)[N@H+](C)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000189288364 509502694 /nfs/dbraw/zinc/50/26/94/509502694.db2.gz XBLIGQMGIPELRZ-CYBMUJFWSA-N 1 0 358.398 2.709 20 5 FFBDRO CC(C)c1ccc([C@H]([NH3+])CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000236782884 509503438 /nfs/dbraw/zinc/50/34/38/509503438.db2.gz SEIXBMAQTHOAOB-CYBMUJFWSA-N 1 0 369.468 2.758 20 5 FFBDRO COC(=O)c1cnc(NCC2CC[NH+](CCC(C)C)CC2)c([N+](=O)[O-])c1 ZINC000189342180 509530065 /nfs/dbraw/zinc/53/00/65/509530065.db2.gz RMHOMKJADSISGO-UHFFFAOYSA-N 1 0 364.446 2.946 20 5 FFBDRO CCC[C@H]([NH2+][C@H](C(=O)N1CCOCC1)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000164928166 509546088 /nfs/dbraw/zinc/54/60/88/509546088.db2.gz CFIMAJAOHHNODL-ROUUACIJSA-N 1 0 363.458 2.909 20 5 FFBDRO C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])s1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183018787 509550365 /nfs/dbraw/zinc/55/03/65/509550365.db2.gz OKONZCAESCBHFO-NWDGAFQWSA-N 1 0 373.500 2.588 20 5 FFBDRO O=C(C[NH2+]C1(c2cccc(F)c2)CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000179691839 509575032 /nfs/dbraw/zinc/57/50/32/509575032.db2.gz OOJDRVFTRIIKMR-UHFFFAOYSA-N 1 0 355.369 2.902 20 5 FFBDRO COC(=O)C[C@H]1CCCC[N@@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000165698178 509581506 /nfs/dbraw/zinc/58/15/06/509581506.db2.gz UYCFNYULFVNXQG-CQSZACIVSA-N 1 0 363.414 2.649 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1cccnc1N1CCOCC1)CCC2 ZINC000192652473 509584047 /nfs/dbraw/zinc/58/40/47/509584047.db2.gz ATYIKGJXPRUTPI-LJQANCHMSA-N 1 0 368.437 2.994 20 5 FFBDRO CC(C)[N@H+](C)Cc1cccc(CNC(=O)c2cccc([N+](=O)[O-])c2N)c1 ZINC000176598984 509604418 /nfs/dbraw/zinc/60/44/18/509604418.db2.gz QLYHCIPPLIOKTD-UHFFFAOYSA-N 1 0 356.426 2.947 20 5 FFBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NC[C@H](C)C[NH3+])cc1 ZINC000237312807 509619745 /nfs/dbraw/zinc/61/97/45/509619745.db2.gz MOJONTLOLOFVKJ-GFCCVEGCSA-N 1 0 359.382 2.720 20 5 FFBDRO C[C@@H]1CCCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@H]1C[NH3+] ZINC000237454571 509651981 /nfs/dbraw/zinc/65/19/81/509651981.db2.gz WIHROAHJMQMPQX-ABAIWWIYSA-N 1 0 360.439 2.918 20 5 FFBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N[C@@H](C[NH3+])C3CC3)cc2[N+](=O)[O-])C1 ZINC000237478573 509657059 /nfs/dbraw/zinc/65/70/59/509657059.db2.gz TWGPGZKYQZMXNS-IOASZLSFSA-N 1 0 360.458 2.544 20 5 FFBDRO C[C@H](Nc1ccc(C(=O)N2CCC[C@H]2C[NH3+])cc1[N+](=O)[O-])c1ccccn1 ZINC000237537499 509672258 /nfs/dbraw/zinc/67/22/58/509672258.db2.gz QRZHSYWOOXEBDE-ZFWWWQNUSA-N 1 0 369.425 2.726 20 5 FFBDRO C[C@@H]1C[NH+](CCCCNC(=O)Nc2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000267946612 509681929 /nfs/dbraw/zinc/68/19/29/509681929.db2.gz PEOPNXMIOWBIHZ-ZIAGYGMSSA-N 1 0 350.419 2.606 20 5 FFBDRO O=C(NCCC[NH+]1CCCCC1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000179992986 509701747 /nfs/dbraw/zinc/70/17/47/509701747.db2.gz WJFPYRQOXQQHTJ-UHFFFAOYSA-N 1 0 357.357 2.802 20 5 FFBDRO COc1ccc(NC(=O)C[N@H+](C[C@@H](C)O)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000170691376 509724045 /nfs/dbraw/zinc/72/40/45/509724045.db2.gz UJPZFAOQZTVLRV-CYBMUJFWSA-N 1 0 365.430 2.557 20 5 FFBDRO [NH3+]C[C@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000237919492 509772728 /nfs/dbraw/zinc/77/27/28/509772728.db2.gz NDXZSFGXNLMSLR-INIZCTEOSA-N 1 0 360.458 2.832 20 5 FFBDRO Cc1ccc(S(=O)(=O)NC2CC[NH+](C3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000176938255 509776788 /nfs/dbraw/zinc/77/67/88/509776788.db2.gz FXUGTTGMEZRWLN-UHFFFAOYSA-N 1 0 367.471 2.589 20 5 FFBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CC[C@H]([NH+](C)C)C3)cc2[N+](=O)[O-])C1 ZINC000170862900 509818429 /nfs/dbraw/zinc/81/84/29/509818429.db2.gz YKJFPKGKXKMEMA-INMHGKMJSA-N 1 0 374.485 2.853 20 5 FFBDRO CC(C)(O)C[N@@H+](Cc1ccccc1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000180222881 509819939 /nfs/dbraw/zinc/81/99/39/509819939.db2.gz VFVFQJFBWNZQPN-SFHVURJKSA-N 1 0 374.437 2.608 20 5 FFBDRO O=C(c1cccc([N+](=O)[O-])c1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000180291313 509852388 /nfs/dbraw/zinc/85/23/88/509852388.db2.gz NBBGWFHHSXULPC-UHFFFAOYSA-N 1 0 361.442 2.559 20 5 FFBDRO C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183556283 509860072 /nfs/dbraw/zinc/86/00/72/509860072.db2.gz WWVGTGUZDJZHOS-CQSZACIVSA-N 1 0 355.398 2.728 20 5 FFBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000268325484 509871693 /nfs/dbraw/zinc/87/16/93/509871693.db2.gz CYJRBWPMICGMLE-HNNXBMFYSA-N 1 0 358.442 2.644 20 5 FFBDRO COc1ccc(OCCN(C)CC[C@@H]2CCCC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC000173960814 509877076 /nfs/dbraw/zinc/87/70/76/509877076.db2.gz PKRCKLITJPSWBS-HNNXBMFYSA-N 1 0 351.447 2.788 20 5 FFBDRO C[NH+](C)CCCOC1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000177111644 509878169 /nfs/dbraw/zinc/87/81/69/509878169.db2.gz KTNLLHXLIGCCQE-UHFFFAOYSA-N 1 0 369.849 2.821 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](C)C[NH+]1CCCCCC1 ZINC000186791260 509898536 /nfs/dbraw/zinc/89/85/36/509898536.db2.gz NXMCJKUGDIZVDT-ZDUSSCGKSA-N 1 0 350.419 2.989 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](C)C[NH+]1CCCCCC1 ZINC000186791276 509898541 /nfs/dbraw/zinc/89/85/41/509898541.db2.gz NXMCJKUGDIZVDT-CYBMUJFWSA-N 1 0 350.419 2.989 20 5 FFBDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000190043645 509904550 /nfs/dbraw/zinc/90/45/50/509904550.db2.gz IQWVIMZWOJRYLA-NSHDSACASA-N 1 0 370.837 2.557 20 5 FFBDRO C[C@H]([NH2+]CC(=O)NCCO[C@@H]1CCCC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000180407324 509909743 /nfs/dbraw/zinc/90/97/43/509909743.db2.gz MJHNSHOKSQXNLK-RLFYNMQTSA-N 1 0 363.458 2.957 20 5 FFBDRO Cc1cccc(OCCNC(=O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000180444078 509927606 /nfs/dbraw/zinc/92/76/06/509927606.db2.gz RSXJFMDXXDXBGQ-OAHLLOKOSA-N 1 0 357.410 2.749 20 5 FFBDRO Nc1ccc([N+](=O)[O-])c(NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)c1 ZINC000193497228 509940671 /nfs/dbraw/zinc/94/06/71/509940671.db2.gz ZSSNEKFWCSQDHE-QGZVFWFLSA-N 1 0 356.426 2.746 20 5 FFBDRO Nc1ccc([N+](=O)[O-])c(NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c1 ZINC000193529144 509951269 /nfs/dbraw/zinc/95/12/69/509951269.db2.gz JKXKBQSKOUNXET-QGZVFWFLSA-N 1 0 356.426 2.880 20 5 FFBDRO C[N@@H+](Cc1cc(F)c(F)c(F)c1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000180496321 509955725 /nfs/dbraw/zinc/95/57/25/509955725.db2.gz DCOBDPGQJLXJGA-ZDUSSCGKSA-N 1 0 370.327 2.884 20 5 FFBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000180526928 509967880 /nfs/dbraw/zinc/96/78/80/509967880.db2.gz FLXXAYOXZYJXKD-UHFFFAOYSA-N 1 0 355.398 2.810 20 5 FFBDRO COCCC[NH+]1CCC(NC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000171148791 509968401 /nfs/dbraw/zinc/96/84/01/509968401.db2.gz KPTICRVIRCUXPJ-UHFFFAOYSA-N 1 0 350.419 2.526 20 5 FFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000177310797 509991132 /nfs/dbraw/zinc/99/11/32/509991132.db2.gz LIEVTYMMPVSODD-ZBFHGGJFSA-N 1 0 357.414 2.703 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000261633877 510008586 /nfs/dbraw/zinc/00/85/86/510008586.db2.gz AFICFQPIRODMDD-WZRBSPASSA-N 1 0 355.822 2.601 20 5 FFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[NH2+]C[C@H]1c1cccnc1 ZINC000261655577 510015042 /nfs/dbraw/zinc/01/50/42/510015042.db2.gz GQPAXMHWXSDMSF-SFHVURJKSA-N 1 0 356.426 2.924 20 5 FFBDRO CS(=O)(=O)c1cccc(NCC[NH2+]C2CCCCCC2)c1[N+](=O)[O-] ZINC000261785072 510062052 /nfs/dbraw/zinc/06/20/52/510062052.db2.gz YJDDKROKKUUHKF-UHFFFAOYSA-N 1 0 355.460 2.723 20 5 FFBDRO CNS(=O)(=O)CC[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000187176599 510103113 /nfs/dbraw/zinc/10/31/13/510103113.db2.gz JVVJFLURMBEALB-NSHDSACASA-N 1 0 369.468 2.523 20 5 FFBDRO C[C@H]1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000180831078 510134265 /nfs/dbraw/zinc/13/42/65/510134265.db2.gz OVXVTKDMEQYJNR-HNNXBMFYSA-N 1 0 368.437 2.914 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)Cc2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000245803147 510151304 /nfs/dbraw/zinc/15/13/04/510151304.db2.gz YBZOQNDGQFZZMT-DZGCQCFKSA-N 1 0 351.447 2.774 20 5 FFBDRO [NH3+]CCN(Cc1ccccc1)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000184206893 510193671 /nfs/dbraw/zinc/19/36/71/510193671.db2.gz GUUXOXVPOYSPOO-UHFFFAOYSA-N 1 0 368.437 2.796 20 5 FFBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)cc1 ZINC000171619001 510256309 /nfs/dbraw/zinc/25/63/09/510256309.db2.gz ZOJKIJLUEKZGNC-OAHLLOKOSA-N 1 0 371.441 2.781 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000171624077 510259027 /nfs/dbraw/zinc/25/90/27/510259027.db2.gz IUFXJQMITGXZMN-ZDUSSCGKSA-N 1 0 357.414 2.521 20 5 FFBDRO CC[C@@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1nc(C)cs1 ZINC000184337248 510271748 /nfs/dbraw/zinc/27/17/48/510271748.db2.gz QCNBSDINOHVMTL-UKRRQHHQSA-N 1 0 351.428 2.840 20 5 FFBDRO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000184361209 510285028 /nfs/dbraw/zinc/28/50/28/510285028.db2.gz WTIXWSOKBXSSFG-KRWDZBQOSA-N 1 0 371.441 2.657 20 5 FFBDRO C[C@H]([NH3+])CCNC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000262534015 510310150 /nfs/dbraw/zinc/31/01/50/510310150.db2.gz LNCCWFKYYIHGEE-STQMWFEESA-N 1 0 357.414 2.630 20 5 FFBDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000262581785 510323978 /nfs/dbraw/zinc/32/39/78/510323978.db2.gz MFQSBPHSFKEGHT-DGCLKSJQSA-N 1 0 360.439 2.918 20 5 FFBDRO O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262635295 510345778 /nfs/dbraw/zinc/34/57/78/510345778.db2.gz OFRLFTGUTVHMQR-OLZOCXBDSA-N 1 0 358.423 2.685 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H](c2ccccc2F)C2CCCC2)c1 ZINC000181500883 510441517 /nfs/dbraw/zinc/44/15/17/510441517.db2.gz SLALWZUOZXOZQK-QAPCUYQASA-N 1 0 362.405 2.812 20 5 FFBDRO Cc1ccnc(NCc2ccccc2C[NH+]2CCC(O)CC2)c1[N+](=O)[O-] ZINC000266221119 510468269 /nfs/dbraw/zinc/46/82/69/510468269.db2.gz HQKRGAXCPGLRQV-UHFFFAOYSA-N 1 0 356.426 2.867 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@@H](Cc2ccccc2)C2CC2)c1 ZINC000181557021 510471082 /nfs/dbraw/zinc/47/10/82/510471082.db2.gz OYCHSJCBQLOPNB-ICSRJNTNSA-N 1 0 356.422 2.945 20 5 FFBDRO Cc1ccc([C@H](CNC(=O)c2cccc([N+](=O)[O-])c2N)[NH+]2CCCC2)o1 ZINC000178186324 510478360 /nfs/dbraw/zinc/47/83/60/510478360.db2.gz UXHSMJVJNFBMNZ-HNNXBMFYSA-N 1 0 358.398 2.645 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H](O)CN2CC[NH+](CCc3cccs3)CC2)c1 ZINC000269636899 510493484 /nfs/dbraw/zinc/49/34/84/510493484.db2.gz AYTLVPPSEDMHGT-GOSISDBHSA-N 1 0 361.467 2.550 20 5 FFBDRO O=C(CCN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000246475031 510510949 /nfs/dbraw/zinc/51/09/49/510510949.db2.gz GEZRZMHTPNXOPD-MAUKXSAKSA-N 1 0 372.469 2.872 20 5 FFBDRO CCC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)C1 ZINC000175164497 510513168 /nfs/dbraw/zinc/51/31/68/510513168.db2.gz PYBDFRVHWILZBW-OAHLLOKOSA-N 1 0 369.487 2.564 20 5 FFBDRO [NH3+]CCCOC1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 ZINC000178296541 510533316 /nfs/dbraw/zinc/53/33/16/510533316.db2.gz IROCMEBFDPKJRW-UHFFFAOYSA-N 1 0 363.439 2.780 20 5 FFBDRO CCc1n[nH]c(C(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000172130814 510558803 /nfs/dbraw/zinc/55/88/03/510558803.db2.gz PSTUMHXZNZJKMP-ZDUSSCGKSA-N 1 0 371.441 2.836 20 5 FFBDRO C[NH2+][C@@H]1CCCN(C(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC000246571910 510563608 /nfs/dbraw/zinc/56/36/08/510563608.db2.gz BRTAJSADOWHCHI-BFYDXBDKSA-N 1 0 374.485 2.901 20 5 FFBDRO Cc1cccc(C(=O)NC2CC[NH+](Cc3cccnc3)CC2)c1[N+](=O)[O-] ZINC000172244870 510622394 /nfs/dbraw/zinc/62/23/94/510622394.db2.gz VKDUVYGHUQKVHY-UHFFFAOYSA-N 1 0 354.410 2.693 20 5 FFBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])NC1CC[NH+](Cc2cccnc2)CC1 ZINC000172246978 510623631 /nfs/dbraw/zinc/62/36/31/510623631.db2.gz ONYDGKNQLHNURW-BQYQJAHWSA-N 1 0 366.421 2.784 20 5 FFBDRO CN(CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCc2ccccc2C1 ZINC000181884141 510639957 /nfs/dbraw/zinc/63/99/57/510639957.db2.gz ADNWJXGLHOOMJL-SFHVURJKSA-N 1 0 374.462 2.858 20 5 FFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(CNC(=O)c2cnn(C)c2)CC1 ZINC000266547878 510651372 /nfs/dbraw/zinc/65/13/72/510651372.db2.gz SMBAYXNLDXFYRL-AWEZNQCLSA-N 1 0 371.441 2.531 20 5 FFBDRO CC(C)C[C@@H](C[NH+](C)C)NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000188222157 510656349 /nfs/dbraw/zinc/65/63/49/510656349.db2.gz MVIBVMGWEYOWEH-NSHDSACASA-N 1 0 363.867 2.503 20 5 FFBDRO CCn1nccc1N1CCC[C@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C1=O ZINC000191640880 510766376 /nfs/dbraw/zinc/76/63/76/510766376.db2.gz BVJDGHQORYLKNZ-WHWKNOJMSA-N 1 0 369.425 2.610 20 5 FFBDRO C[C@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CC[N@@H+]1C ZINC000182146717 510780870 /nfs/dbraw/zinc/78/08/70/510780870.db2.gz VMXLGUQQEITABK-WDEREUQCSA-N 1 0 357.357 2.751 20 5 FFBDRO O=[N+]([O-])c1cc(CN2CCC[N@@H+](C3CCCC3)CC2)c2c(c1)COCO2 ZINC000172583258 510803795 /nfs/dbraw/zinc/80/37/95/510803795.db2.gz LBTGWXDUDQRLEQ-UHFFFAOYSA-N 1 0 361.442 2.912 20 5 FFBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000270433805 510807292 /nfs/dbraw/zinc/80/72/92/510807292.db2.gz PBBPERFIQQGDIB-INIZCTEOSA-N 1 0 356.426 2.705 20 5 FFBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@@H]2CCOc3c(Br)cccc32)n1 ZINC000282241169 510898687 /nfs/dbraw/zinc/89/86/87/510898687.db2.gz ZZXQEQFPIWWEIT-GFCCVEGCSA-N 1 0 367.203 2.667 20 5 FFBDRO Cc1ccccc1C[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000360900286 510963516 /nfs/dbraw/zinc/96/35/16/510963516.db2.gz HUCSXYXFSIMCHT-UHFFFAOYSA-N 1 0 354.410 2.693 20 5 FFBDRO C[NH+](C)CCCOC1CCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000270776246 510980580 /nfs/dbraw/zinc/98/05/80/510980580.db2.gz IYQJJUCPKPXAAH-UHFFFAOYSA-N 1 0 369.849 2.821 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC(N3CC[NH+](C(C)C)CC3)CC2)c1 ZINC000270841047 511002727 /nfs/dbraw/zinc/00/27/27/511002727.db2.gz FDPKQXOFYAPHMT-UHFFFAOYSA-N 1 0 374.485 2.534 20 5 FFBDRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000286266417 511021130 /nfs/dbraw/zinc/02/11/30/511021130.db2.gz VVHSKNWMCNQJGX-PZPWOCDFSA-N 1 0 363.461 2.657 20 5 FFBDRO CSc1ccc([C@H](CNC(=O)c2c(N)cccc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000294313394 511022736 /nfs/dbraw/zinc/02/27/36/511022736.db2.gz IKGAEEVJJKNQEL-INIZCTEOSA-N 1 0 374.466 2.932 20 5 FFBDRO CC[NH+]1CCN(c2ccc(NC(=O)CCC(C)(C)[N+](=O)[O-])c(C)c2)CC1 ZINC000294398758 511051204 /nfs/dbraw/zinc/05/12/04/511051204.db2.gz LXVDNJJTORILPP-UHFFFAOYSA-N 1 0 362.474 2.911 20 5 FFBDRO CN(C)C(=O)C1(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCCC1 ZINC000331531333 511066650 /nfs/dbraw/zinc/06/66/50/511066650.db2.gz DWOVWXBYJDCVID-LSDHHAIUSA-N 1 0 363.462 2.513 20 5 FFBDRO CC(C)[NH+]1CCN([C@@H]2CCN(c3ccc(Cl)cc3[N+](=O)[O-])C2)CC1 ZINC000364806133 511090757 /nfs/dbraw/zinc/09/07/57/511090757.db2.gz IPCZMCYQMSRFLM-OAHLLOKOSA-N 1 0 352.866 2.853 20 5 FFBDRO CC(C)[NH+]1CCN([C@H]2CCN(c3ccc(Cl)cc3[N+](=O)[O-])C2)CC1 ZINC000364806132 511090815 /nfs/dbraw/zinc/09/08/15/511090815.db2.gz IPCZMCYQMSRFLM-HNNXBMFYSA-N 1 0 352.866 2.853 20 5 FFBDRO CC(C)C[NH+]1CCC(NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000294698387 511146272 /nfs/dbraw/zinc/14/62/72/511146272.db2.gz LBHFBPMUSASAKV-UHFFFAOYSA-N 1 0 361.442 2.794 20 5 FFBDRO CCC[NH+]1CCC(N(C)C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CC1 ZINC000271300470 511155227 /nfs/dbraw/zinc/15/52/27/511155227.db2.gz IMXWREGSIUXRBV-UHFFFAOYSA-N 1 0 363.443 2.546 20 5 FFBDRO Cn1cc(C[NH2+]C[C@@H]2COC3(CCCC3)O2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000271397101 511190320 /nfs/dbraw/zinc/19/03/20/511190320.db2.gz HKNWRAKPJVRPBI-QGZVFWFLSA-N 1 0 372.425 2.771 20 5 FFBDRO CC[NH+]1CCC(CCNC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000294850628 511198162 /nfs/dbraw/zinc/19/81/62/511198162.db2.gz GHOFMZWAJIPNPO-UHFFFAOYSA-N 1 0 361.442 2.796 20 5 FFBDRO O=C(C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000295094780 511280031 /nfs/dbraw/zinc/28/00/31/511280031.db2.gz AJACJTKWMZWURP-IUIKQTSFSA-N 1 0 365.817 2.734 20 5 FFBDRO CC(C)(CCC(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1)[N+](=O)[O-] ZINC000295305933 511357527 /nfs/dbraw/zinc/35/75/27/511357527.db2.gz ONLVNRJWGXOUBH-HXUWFJFHSA-N 1 0 359.470 2.947 20 5 FFBDRO COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000295463675 511414353 /nfs/dbraw/zinc/41/43/53/511414353.db2.gz FRVSSPIGVFOTPN-CABCVRRESA-N 1 0 374.397 2.856 20 5 FFBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000298815767 511419537 /nfs/dbraw/zinc/41/95/37/511419537.db2.gz MMUYUWSYOLUKQB-UHFFFAOYSA-N 1 0 367.471 2.542 20 5 FFBDRO CN(C(=O)C[NH2+][C@@H]1CCN(C)[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000283966072 511558704 /nfs/dbraw/zinc/55/87/04/511558704.db2.gz IFTFVDWIANBLIS-UYAOXDASSA-N 1 0 368.437 2.593 20 5 FFBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)C2)C1 ZINC000292437247 511596777 /nfs/dbraw/zinc/59/67/77/511596777.db2.gz WPVOPACLBMFAHN-SFHVURJKSA-N 1 0 372.450 2.886 20 5 FFBDRO C[N@H+](CCc1cnccn1)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000273760163 511600088 /nfs/dbraw/zinc/60/00/88/511600088.db2.gz OVLWMKTYZMRBRT-UHFFFAOYSA-N 1 0 351.204 2.822 20 5 FFBDRO CC[C@H](C)[NH+]1CCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000296232088 511665563 /nfs/dbraw/zinc/66/55/63/511665563.db2.gz WQTAXSRUGGNUCD-LBPRGKRZSA-N 1 0 354.838 2.603 20 5 FFBDRO C[C@H]([NH2+]Cc1ccccc1CN1CCOCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284295427 511672326 /nfs/dbraw/zinc/67/23/26/511672326.db2.gz YHCXFSSZAIBKEO-HNNXBMFYSA-N 1 0 370.453 2.860 20 5 FFBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)C[C@@H]21 ZINC000363682861 511701722 /nfs/dbraw/zinc/70/17/22/511701722.db2.gz XTOSKZHBBXKXTJ-AEGPPILISA-N 1 0 372.450 2.918 20 5 FFBDRO C[C@H](c1ccc(N)c([N+](=O)[O-])c1)[N@H+]1C[C@H]2C[C@H](Cn3c2cccc3=O)C1 ZINC000296399729 511727801 /nfs/dbraw/zinc/72/78/01/511727801.db2.gz KKQHSWASCULCNG-VNHYZAJKSA-N 1 0 354.410 2.519 20 5 FFBDRO CCOc1ccc([C@H](C)[NH2+][C@H](CO)C[C@H](O)C(C)(C)C)cc1[N+](=O)[O-] ZINC000284454133 511728934 /nfs/dbraw/zinc/72/89/34/511728934.db2.gz SRTPNSVCLBPFSL-JDFRZJQESA-N 1 0 354.447 2.802 20 5 FFBDRO COc1ccc(-c2nc([C@@H]3C[N@@H+]4CCC[C@@]4(C)CO3)no2)cc1[N+](=O)[O-] ZINC000350359817 511790974 /nfs/dbraw/zinc/79/09/74/511790974.db2.gz SIMZFLJNYZPBRN-YOEHRIQHSA-N 1 0 360.370 2.579 20 5 FFBDRO CC(C)c1n[nH]c(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000274326637 511795100 /nfs/dbraw/zinc/79/51/00/511795100.db2.gz YUTFYRKOGVUFPL-DZGCQCFKSA-N 1 0 371.441 2.692 20 5 FFBDRO CCOc1ccc(-c2nc([C@@H]3C[N@@H+]4CCC[C@]4(C)CO3)no2)cc1[N+](=O)[O-] ZINC000350381689 511797258 /nfs/dbraw/zinc/79/72/58/511797258.db2.gz FEUGGKRVAUTMBJ-MAUKXSAKSA-N 1 0 374.397 2.969 20 5 FFBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@H](O)COCc2ccc(Cl)cc2)cc1 ZINC000326592851 511860511 /nfs/dbraw/zinc/86/05/11/511860511.db2.gz DHYQAGPGWMJYOR-SFHVURJKSA-N 1 0 364.829 2.958 20 5 FFBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000363937943 511861663 /nfs/dbraw/zinc/86/16/63/511861663.db2.gz MBFDZUJDXOUODW-HOTGVXAUSA-N 1 0 372.469 2.942 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000326955686 511866222 /nfs/dbraw/zinc/86/62/22/511866222.db2.gz PCWBEQIEJAONSJ-CQSZACIVSA-N 1 0 367.833 2.575 20 5 FFBDRO Cc1c([C@@H](C)[NH2+][C@@H]2CCC(=O)N(C)[C@H]2c2ccnn2C)cccc1[N+](=O)[O-] ZINC000284789362 511869538 /nfs/dbraw/zinc/86/95/38/511869538.db2.gz JLUSXEBVWUVCAD-ZXYWRSMDSA-N 1 0 371.441 2.649 20 5 FFBDRO CCOc1cc(NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000327299404 511873447 /nfs/dbraw/zinc/87/34/47/511873447.db2.gz KXSOLYMFEMMUBM-KRWDZBQOSA-N 1 0 350.463 2.677 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000284857416 511901568 /nfs/dbraw/zinc/90/15/68/511901568.db2.gz RVQVVTREFMEGQZ-DOTOQJQBSA-N 1 0 363.414 2.575 20 5 FFBDRO CNC(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000296803255 511903826 /nfs/dbraw/zinc/90/38/26/511903826.db2.gz ULBWOUSBTNLMGM-STQMWFEESA-N 1 0 370.409 2.632 20 5 FFBDRO O=[N+]([O-])c1ccccc1OCC[NH+]1CCC(c2nnc3n2CCCC3)CC1 ZINC000274864384 511969629 /nfs/dbraw/zinc/96/96/29/511969629.db2.gz CFFGFOXYQDUWAH-UHFFFAOYSA-N 1 0 371.441 2.781 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000281895433 512003108 /nfs/dbraw/zinc/00/31/08/512003108.db2.gz HRBYCZRWFUPXOI-UHFFFAOYSA-N 1 0 362.430 2.989 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1SC ZINC000297186401 512052370 /nfs/dbraw/zinc/05/23/70/512052370.db2.gz XKTGDVZQGANABE-YOGCLGLASA-N 1 0 365.455 2.680 20 5 FFBDRO CS[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C[C@H]1[NH+]1CCCC1 ZINC000275140709 512053803 /nfs/dbraw/zinc/05/38/03/512053803.db2.gz PYEZSKKXAPKDTC-HUUCEWRRSA-N 1 0 369.874 2.900 20 5 FFBDRO CCOc1cc(C(=O)NC(C)(C)CCC[NH+](C)C)c([N+](=O)[O-])cc1OC ZINC000411046952 512449038 /nfs/dbraw/zinc/44/90/38/512449038.db2.gz MDPXHYYLJZCNQM-UHFFFAOYSA-N 1 0 367.446 2.852 20 5 FFBDRO Cn1cc(C[N@@H+]2CC[C@H](c3nccn3C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000377890443 512500516 /nfs/dbraw/zinc/50/05/16/512500516.db2.gz VHFLFAAHJNITDD-HNNXBMFYSA-N 1 0 366.425 2.718 20 5 FFBDRO O=C(NCC[N@@H+]1CCc2ccccc2C1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000411332394 512584363 /nfs/dbraw/zinc/58/43/63/512584363.db2.gz VQYFCIKVOGZBCZ-VQTJNVASSA-N 1 0 365.433 2.873 20 5 FFBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2Cl)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000374308237 512758297 /nfs/dbraw/zinc/75/82/97/512758297.db2.gz FPYAXOYVAINOPD-CJNGLKHVSA-N 1 0 352.866 2.710 20 5 FFBDRO Cc1ccc(C[NH2+]CC(=O)N[C@H]2CCOc3ccccc32)cc1[N+](=O)[O-] ZINC000374330725 512771166 /nfs/dbraw/zinc/77/11/66/512771166.db2.gz MKGSJPQVODDGCU-INIZCTEOSA-N 1 0 355.394 2.633 20 5 FFBDRO COC[C@H]1CCCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000376365523 512787013 /nfs/dbraw/zinc/78/70/13/512787013.db2.gz FKMXQSDDYUWZIB-AWEZNQCLSA-N 1 0 365.430 2.681 20 5 FFBDRO NC(=O)c1ccc(C[N@@H+]2CC[C@]3(C2)CCc2ccccc2O3)c([N+](=O)[O-])c1 ZINC000368087182 512796785 /nfs/dbraw/zinc/79/67/85/512796785.db2.gz CWAJCMWJMWCIKW-FQEVSTJZSA-N 1 0 367.405 2.663 20 5 FFBDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000378539156 512814087 /nfs/dbraw/zinc/81/40/87/512814087.db2.gz NZXWIFBBNGNODD-OAHLLOKOSA-N 1 0 354.410 2.524 20 5 FFBDRO C[N@@H+]1CCCC12CCN(C(=O)Cc1c[nH]c3ccc([N+](=O)[O-])cc13)CC2 ZINC000368190641 512839051 /nfs/dbraw/zinc/83/90/51/512839051.db2.gz WIFLABGJVJVLON-UHFFFAOYSA-N 1 0 356.426 2.705 20 5 FFBDRO C[C@@H]([NH2+]CC(=O)N[C@H]1CCOc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000374498485 512860795 /nfs/dbraw/zinc/86/07/95/512860795.db2.gz XLQBSCZKKBLWRE-DYVFJYSZSA-N 1 0 355.394 2.885 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](C)[C@](C)(OC)C1CC1 ZINC000411969381 512894468 /nfs/dbraw/zinc/89/44/68/512894468.db2.gz LJJHYKNCMMKECM-XIKOKIGWSA-N 1 0 365.430 2.725 20 5 FFBDRO O=[N+]([O-])c1cnc(N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)nc1 ZINC000368345339 512907926 /nfs/dbraw/zinc/90/79/26/512907926.db2.gz TTXQAASTQKCYQY-LJQANCHMSA-N 1 0 353.426 2.877 20 5 FFBDRO C[C@@H]1CCCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)[C@@H]1CC[NH3+] ZINC000404298738 512968395 /nfs/dbraw/zinc/96/83/95/512968395.db2.gz YMQANROSYOPJAR-QMTHXVAHSA-N 1 0 370.247 2.947 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2C[C@H]3CCCC[C@@]32c2ccccc2)c1 ZINC000370706821 513063106 /nfs/dbraw/zinc/06/31/06/513063106.db2.gz FVDFXYLXHBDWBE-BHIYHBOVSA-N 1 0 356.426 2.554 20 5 FFBDRO COc1cc(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000374907491 513065725 /nfs/dbraw/zinc/06/57/25/513065725.db2.gz CSLLYQOZKOCRGX-HZPDHXFCSA-N 1 0 373.384 2.618 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H](c2ccccc2)[C@@H]2CCOC2)c1 ZINC000374983168 513097229 /nfs/dbraw/zinc/09/72/29/513097229.db2.gz CEVVSUGWECPMJR-YVWKXTFCSA-N 1 0 372.421 2.702 20 5 FFBDRO C[N@@H+]1CCCC[C@@H]1CN1CCN(c2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000450322600 513143472 /nfs/dbraw/zinc/14/34/72/513143472.db2.gz ARPCCOFAPDKLHT-MRXNPFEDSA-N 1 0 369.469 2.749 20 5 FFBDRO Cc1nn(C)c(NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000428669511 513159423 /nfs/dbraw/zinc/15/94/23/513159423.db2.gz WDYGHKQJBZWORM-HNNXBMFYSA-N 1 0 361.471 2.666 20 5 FFBDRO C[N@@H+]1CCCC12CCN(C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000450373736 513165246 /nfs/dbraw/zinc/16/52/46/513165246.db2.gz AVBDRCJMIOTTIK-UHFFFAOYSA-N 1 0 359.426 2.645 20 5 FFBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2NCC1CC[NH+](C2CC2)CC1 ZINC000450482453 513214921 /nfs/dbraw/zinc/21/49/21/513214921.db2.gz GMGVPWSXPUTVHP-UHFFFAOYSA-N 1 0 356.426 2.860 20 5 FFBDRO C[NH+]1CCC2(CCCN2C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)CC1 ZINC000450540269 513242329 /nfs/dbraw/zinc/24/23/29/513242329.db2.gz NGZJWAOPBZVQLB-UHFFFAOYSA-N 1 0 369.425 2.685 20 5 FFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@H]2CCc3nnnn3CC2)s1 ZINC000421392521 513245975 /nfs/dbraw/zinc/24/59/75/513245975.db2.gz CCQYHRCJYLZONY-LBPRGKRZSA-N 1 0 370.438 2.805 20 5 FFBDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H](C)C1 ZINC000429012249 513251370 /nfs/dbraw/zinc/25/13/70/513251370.db2.gz SVAROROQNREWGK-KEYYUXOJSA-N 1 0 371.441 2.807 20 5 FFBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@@H](C)C1 ZINC000429017071 513255568 /nfs/dbraw/zinc/25/55/68/513255568.db2.gz DSFCSUUIWBDWTF-HBUWYVDXSA-N 1 0 361.442 2.623 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000415509674 513301933 /nfs/dbraw/zinc/30/19/33/513301933.db2.gz XBRWVCVLMZLORF-LSDHHAIUSA-N 1 0 356.382 2.562 20 5 FFBDRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000417980292 513314096 /nfs/dbraw/zinc/31/40/96/513314096.db2.gz BDLMBOJMJDEOQV-TZMCWYRMSA-N 1 0 354.838 2.607 20 5 FFBDRO CC(C)c1ncc(C[N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)cn1 ZINC000440489029 513331865 /nfs/dbraw/zinc/33/18/65/513331865.db2.gz RIWANISXYLLREO-UHFFFAOYSA-N 1 0 357.414 2.969 20 5 FFBDRO Cc1c(NC(=O)[C@@H](C)[NH2+][C@@H]2Cc3cccc(O)c3C2)cccc1[N+](=O)[O-] ZINC000429312979 513336722 /nfs/dbraw/zinc/33/67/22/513336722.db2.gz PJIGRJNKGOWWMB-TZMCWYRMSA-N 1 0 355.394 2.693 20 5 FFBDRO CC[NH+](CC)CCN(Cc1cccs1)Cc1c([N+](=O)[O-])ncn1C ZINC000446788257 513337345 /nfs/dbraw/zinc/33/73/45/513337345.db2.gz WAYWXBFGQQMZIP-UHFFFAOYSA-N 1 0 351.476 2.734 20 5 FFBDRO C[C@@H]1CN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC[N@@H+](C2CCC2)C1 ZINC000429370741 513355827 /nfs/dbraw/zinc/35/58/27/513355827.db2.gz FJSMAATWZVLBAN-HNAYVOBHSA-N 1 0 372.469 2.506 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c(F)c1 ZINC000440594886 513360417 /nfs/dbraw/zinc/36/04/17/513360417.db2.gz CJICUMFDGQCPSS-GOSISDBHSA-N 1 0 363.364 2.922 20 5 FFBDRO C[C@H]1CCN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C[C@H]1C[NH3+] ZINC000418091996 513369193 /nfs/dbraw/zinc/36/91/93/513369193.db2.gz QOYMRMFVDRUVEW-CMPLNLGQSA-N 1 0 374.363 2.740 20 5 FFBDRO CCOC(=O)CC1([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CCCC1 ZINC000434619917 513370734 /nfs/dbraw/zinc/37/07/34/513370734.db2.gz VFUWLNQHSZFORJ-UHFFFAOYSA-N 1 0 363.414 2.697 20 5 FFBDRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000418121607 513380835 /nfs/dbraw/zinc/38/08/35/513380835.db2.gz XGPFNDQHPGTYPX-HUUCEWRRSA-N 1 0 359.426 2.742 20 5 FFBDRO C[C@@](C[NH3+])(NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)C1CC1 ZINC000415687074 513381145 /nfs/dbraw/zinc/38/11/45/513381145.db2.gz AQNRYXFEQMPIIY-ZDUSSCGKSA-N 1 0 357.208 2.606 20 5 FFBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@H]2CCN(CC(F)F)C2)c1 ZINC000418128422 513382134 /nfs/dbraw/zinc/38/21/34/513382134.db2.gz BLHMJGLYCQBRCS-JTQLQIEISA-N 1 0 351.300 2.625 20 5 FFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CCCN(c2ccnn2C)C1 ZINC000447071708 513390507 /nfs/dbraw/zinc/39/05/07/513390507.db2.gz BQSSZGKPMBYWOT-HKBKRHGFSA-N 1 0 355.442 2.990 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000425056742 513394672 /nfs/dbraw/zinc/39/46/72/513394672.db2.gz KPVSTLHUPGUVNS-SLEUVZQESA-N 1 0 367.833 2.568 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(CC[NH+](C)C)Cc1ccccn1 ZINC000421772133 513418662 /nfs/dbraw/zinc/41/86/62/513418662.db2.gz YROGCHLXPUXREG-UHFFFAOYSA-N 1 0 356.426 2.811 20 5 FFBDRO CCC(CC)(CC(=O)OC)[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000440891403 513430418 /nfs/dbraw/zinc/43/04/18/513430418.db2.gz IUPPIJWUJSEHKE-UHFFFAOYSA-N 1 0 362.386 2.856 20 5 FFBDRO C[C@@H]1CC[C@H]([N@H+](CCO)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000429755137 513457795 /nfs/dbraw/zinc/45/77/95/513457795.db2.gz ASQWJHWVEQKNSI-NEPJUHHUSA-N 1 0 355.822 2.670 20 5 FFBDRO Cn1c(Sc2nccc3ccc([N+](=O)[O-])cc32)nnc1[C@@H]1CCC[NH2+]C1 ZINC000413139108 513474697 /nfs/dbraw/zinc/47/46/97/513474697.db2.gz DUGXYFUNKUMAOK-GFCCVEGCSA-N 1 0 370.438 2.890 20 5 FFBDRO CC[NH2+]Cc1cccc(NC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000415921043 513479430 /nfs/dbraw/zinc/47/94/30/513479430.db2.gz PUMYEQZIBCQOBK-UHFFFAOYSA-N 1 0 372.429 2.770 20 5 FFBDRO COc1ccc(OCC[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000447507334 513492201 /nfs/dbraw/zinc/49/22/01/513492201.db2.gz MSSPJMVSIXGWEI-IAGOWNOFSA-N 1 0 360.414 2.952 20 5 FFBDRO CC(C)C[C@@H](C[NH3+])NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000418417857 513502038 /nfs/dbraw/zinc/50/20/38/513502038.db2.gz VXIVKTNUKJOUSN-AWEZNQCLSA-N 1 0 364.446 2.521 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCC[C@@H]([C@@H]4CCOC4)C3)n2)c1 ZINC000441197558 513510150 /nfs/dbraw/zinc/51/01/50/513510150.db2.gz AXLDZGXMWAWUJV-HUUCEWRRSA-N 1 0 358.398 2.893 20 5 FFBDRO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)[C@]12CCCO2 ZINC000447594343 513517569 /nfs/dbraw/zinc/51/75/69/513517569.db2.gz YGSWCOYNOCTGHP-QYXWGXCQSA-N 1 0 364.446 2.591 20 5 FFBDRO COc1cccc(CNC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000451102577 513524743 /nfs/dbraw/zinc/52/47/43/513524743.db2.gz DMOSODTWEPRHCU-KBPBESRZSA-N 1 0 357.410 2.959 20 5 FFBDRO C[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)NC(=O)NCc1ccccc1 ZINC000451106633 513527232 /nfs/dbraw/zinc/52/72/32/513527232.db2.gz WGGSDAOOUJEYOX-KBPBESRZSA-N 1 0 370.409 2.660 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000441278286 513528250 /nfs/dbraw/zinc/52/82/50/513528250.db2.gz PHUJRZARBXGRFP-HZPDHXFCSA-N 1 0 361.442 2.980 20 5 FFBDRO COc1cc(CN2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000430142598 513566594 /nfs/dbraw/zinc/56/65/94/513566594.db2.gz AORRNRMGNXXOHQ-OFQRWUPVSA-N 1 0 363.458 2.774 20 5 FFBDRO COc1cc(CN2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000430142597 513566954 /nfs/dbraw/zinc/56/69/54/513566954.db2.gz AORRNRMGNXXOHQ-IJEWVQPXSA-N 1 0 363.458 2.774 20 5 FFBDRO COc1cc(CN2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000430142596 513567066 /nfs/dbraw/zinc/56/70/66/513567066.db2.gz AORRNRMGNXXOHQ-IIAWOOMASA-N 1 0 363.458 2.774 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+](C[C@H]2CCCO2)C2CCCC2)c1 ZINC000441438332 513568265 /nfs/dbraw/zinc/56/82/65/513568265.db2.gz JMKKKFVKAHQLBA-PKOBYXMFSA-N 1 0 364.442 2.758 20 5 FFBDRO CO[C@@H]1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@H](C[NH3+])C1 ZINC000435375433 513569297 /nfs/dbraw/zinc/56/92/97/513569297.db2.gz VASBHGZYSFALLT-JKSUJKDBSA-N 1 0 362.455 2.656 20 5 FFBDRO COc1cc(C(=O)N(C)C(C)(C)C[NH+]2CCCC2)c([N+](=O)[O-])cc1OC ZINC000416096629 513570467 /nfs/dbraw/zinc/57/04/67/513570467.db2.gz PRLPEGQSWWCCQP-UHFFFAOYSA-N 1 0 365.430 2.558 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NCC1([NH+](C)C)CCOCC1 ZINC000447802102 513573417 /nfs/dbraw/zinc/57/34/17/513573417.db2.gz HFTJRGHVGQGBGA-UHFFFAOYSA-N 1 0 371.821 2.558 20 5 FFBDRO COC[C@H]([NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000425468244 513583356 /nfs/dbraw/zinc/58/33/56/513583356.db2.gz CFQHHQWUZLIEQQ-GXTWGEPZSA-N 1 0 359.220 2.641 20 5 FFBDRO O=C(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000418664210 513601599 /nfs/dbraw/zinc/60/15/99/513601599.db2.gz ZVDDSOWVDUHASP-NZSAHSFTSA-N 1 0 372.469 2.872 20 5 FFBDRO Cc1ncsc1CN(C[C@H]1CC[NH2+]C1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000435592876 513628330 /nfs/dbraw/zinc/62/83/30/513628330.db2.gz JQNZKWVCJNXAGT-ZDUSSCGKSA-N 1 0 360.439 2.612 20 5 FFBDRO COc1ccc(NC(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)cc1[N+](=O)[O-] ZINC000448005173 513655801 /nfs/dbraw/zinc/65/58/01/513655801.db2.gz SXKRKRIOGVJNDU-HNNXBMFYSA-N 1 0 350.419 2.845 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)[C@H]1CCC[NH2+]CC1 ZINC000435749652 513676804 /nfs/dbraw/zinc/67/68/04/513676804.db2.gz KVSHWOBZXSNUPD-AAEUAGOBSA-N 1 0 355.822 2.616 20 5 FFBDRO Cc1c(NC(=O)CCN2CCC([NH2+]CC3CC3)CC2)cccc1[N+](=O)[O-] ZINC000430561264 513689312 /nfs/dbraw/zinc/68/93/12/513689312.db2.gz ZPLGRJAMVWTRBY-UHFFFAOYSA-N 1 0 360.458 2.696 20 5 FFBDRO COc1cc(CN2CCC[C@H](C)[C@@H]2C[NH3+])c([N+](=O)[O-])cc1OC(F)F ZINC000430585477 513696625 /nfs/dbraw/zinc/69/66/25/513696625.db2.gz WVWUNGSRQPQLTA-GWCFXTLKSA-N 1 0 359.373 2.764 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H](c2ccc(F)c(Cl)c2)C2CC2)c1 ZINC000451354556 513697447 /nfs/dbraw/zinc/69/74/47/513697447.db2.gz NMBQOSZZYUSVNT-BBRMVZONSA-N 1 0 368.796 2.686 20 5 FFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[NH+](C(C)(C)COC)CC1 ZINC000425683732 513700561 /nfs/dbraw/zinc/70/05/61/513700561.db2.gz LXEBITCTSJDTMT-UHFFFAOYSA-N 1 0 364.446 2.732 20 5 FFBDRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000419007409 513715113 /nfs/dbraw/zinc/71/51/13/513715113.db2.gz RMTYSHRCJLIIKA-GJZGRUSLSA-N 1 0 356.426 2.548 20 5 FFBDRO Cc1cc(OCC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000430677960 513719802 /nfs/dbraw/zinc/71/98/02/513719802.db2.gz RLSYRZPWNJJEJZ-INIZCTEOSA-N 1 0 351.447 2.765 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000430712659 513730912 /nfs/dbraw/zinc/73/09/12/513730912.db2.gz HSDWMSYEQZYMTE-ABAIWWIYSA-N 1 0 369.849 2.910 20 5 FFBDRO COc1ccc(NC(=O)CC[NH2+][C@@H]2[C@@H](C)[C@@H](OC)C2(C)C)c([N+](=O)[O-])c1 ZINC000451496663 513788790 /nfs/dbraw/zinc/78/87/90/513788790.db2.gz IYQDMJJTAUOXHI-SSKCKEOISA-N 1 0 365.430 2.581 20 5 FFBDRO CC(C)[C@@H](CO)[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])C(C)C ZINC000451589458 513852433 /nfs/dbraw/zinc/85/24/33/513852433.db2.gz AODVHWNTLLJXMH-VBQJREDUSA-N 1 0 351.447 2.801 20 5 FFBDRO [NH3+]C[C@@H]1Cc2ccccc2N1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000422625571 513879398 /nfs/dbraw/zinc/87/93/98/513879398.db2.gz HEVFCZNFMRYHAF-KRWDZBQOSA-N 1 0 354.410 2.704 20 5 FFBDRO Cc1c(NC(=O)CC[N@@H+]2CC[C@@H]3C[C@@H](O)CC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000451691484 513913736 /nfs/dbraw/zinc/91/37/36/513913736.db2.gz CHAPOFQEYSACFM-OAGGEKHMSA-N 1 0 361.442 2.715 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000451697800 513917230 /nfs/dbraw/zinc/91/72/30/513917230.db2.gz ROXAARLVRRTFOP-BFYDXBDKSA-N 1 0 361.442 2.715 20 5 FFBDRO C[C@H]([NH3+])C1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000422797118 513934839 /nfs/dbraw/zinc/93/48/39/513934839.db2.gz ZVYLKCOBPLOTJU-JTQLQIEISA-N 1 0 357.863 2.926 20 5 FFBDRO O=C(NCCNc1ccccc1[N+](=O)[O-])[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000431625640 513949364 /nfs/dbraw/zinc/94/93/64/513949364.db2.gz ZKMWXWDUYBLNOB-SFHVURJKSA-N 1 0 360.458 2.920 20 5 FFBDRO C[C@H]1CCCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])[C@H]1C[NH3+] ZINC000422846606 513949993 /nfs/dbraw/zinc/94/99/93/513949993.db2.gz FTNGUIYYALXGMR-GWCFXTLKSA-N 1 0 357.863 2.926 20 5 FFBDRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448934253 513978332 /nfs/dbraw/zinc/97/83/32/513978332.db2.gz UPKHYVPYDRELBY-GJZGRUSLSA-N 1 0 371.441 2.773 20 5 FFBDRO COc1ccc([C@H](CO)C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000414202333 514009244 /nfs/dbraw/zinc/00/92/44/514009244.db2.gz YWXBJYCNZCTRMT-JQHSSLGASA-N 1 0 374.441 2.649 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000426879294 514065385 /nfs/dbraw/zinc/06/53/85/514065385.db2.gz QOKQCEKNWPOBIP-INIZCTEOSA-N 1 0 361.373 2.775 20 5 FFBDRO Cc1ccc(N2CCC[C@@H]([NH2+][C@@H](C)Cc3ccccc3[N+](=O)[O-])C2)nn1 ZINC000449119711 514080396 /nfs/dbraw/zinc/08/03/96/514080396.db2.gz APBLHNYDGLBWPH-DOTOQJQBSA-N 1 0 355.442 2.883 20 5 FFBDRO COC[C@@]1(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)CC[NH2+]C1 ZINC000423214781 514081059 /nfs/dbraw/zinc/08/10/59/514081059.db2.gz PNCHPRLIPNJCIA-LJQANCHMSA-N 1 0 371.393 2.952 20 5 FFBDRO COC[C@]1(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)CC[NH2+]C1 ZINC000423214779 514081763 /nfs/dbraw/zinc/08/17/63/514081763.db2.gz PNCHPRLIPNJCIA-IBGZPJMESA-N 1 0 371.393 2.952 20 5 FFBDRO C[NH2+][C@@H](CC(C)(C)C)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000449138431 514088296 /nfs/dbraw/zinc/08/82/96/514088296.db2.gz HZFVAFGVOYNYMG-KRWDZBQOSA-N 1 0 363.458 2.989 20 5 FFBDRO O=C(C[N@@H+]1CCC[C@]2(CCSC2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000451963299 514098479 /nfs/dbraw/zinc/09/84/79/514098479.db2.gz HKIZTNDVVDPSCP-SFHVURJKSA-N 1 0 361.467 2.703 20 5 FFBDRO Cc1c(NC(=O)[C@@H](C)N2CCC([C@@H]3CCC[NH2+]3)CC2)cccc1[N+](=O)[O-] ZINC000420332132 514098520 /nfs/dbraw/zinc/09/85/20/514098520.db2.gz CRFFEQWPAVGUCE-PBHICJAKSA-N 1 0 360.458 2.694 20 5 FFBDRO Cn1ccnc1[C@@H](NC[C@H]1[NH2+]CCCC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000423392856 514126509 /nfs/dbraw/zinc/12/65/09/514126509.db2.gz QUWJQURYWVHMJK-SJORKVTESA-N 1 0 357.458 2.786 20 5 FFBDRO COC(=O)[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C[C@@H]1c1ccccc1 ZINC000452007836 514131184 /nfs/dbraw/zinc/13/11/84/514131184.db2.gz RMIQNYZRBPAJDX-SJORKVTESA-N 1 0 370.405 2.992 20 5 FFBDRO C[C@@H](NC[C@@H]1C[NH2+]CCN1C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000423481863 514150111 /nfs/dbraw/zinc/15/01/11/514150111.db2.gz QYFDOSCQDUNVHX-KGLIPLIRSA-N 1 0 360.483 2.878 20 5 FFBDRO CCc1[nH]nc(-c2nc(-c3ccc(F)c(C[NH+](C)C)c3)no2)c1[N+](=O)[O-] ZINC000420485135 514167834 /nfs/dbraw/zinc/16/78/34/514167834.db2.gz GXSMFPOMZJKFJV-UHFFFAOYSA-N 1 0 360.349 2.798 20 5 FFBDRO CCn1cc([N+](=O)[O-])c(C(=O)N(C)C(C)(C)C[NH+]2CCCCCC2)n1 ZINC000427344033 514189495 /nfs/dbraw/zinc/18/94/95/514189495.db2.gz FOWBZBLUOFPZIA-UHFFFAOYSA-N 1 0 351.451 2.538 20 5 FFBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CC[C@H]([NH3+])[C@@H]2C)cc1 ZINC000423684117 514199403 /nfs/dbraw/zinc/19/94/03/514199403.db2.gz UNUDOKFDEUYQAN-SJCJKPOMSA-N 1 0 371.393 2.957 20 5 FFBDRO COc1cc(C(=O)N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000452121712 514204809 /nfs/dbraw/zinc/20/48/09/514204809.db2.gz KUQPZBSSNPROOY-LALPHHSUSA-N 1 0 365.405 2.545 20 5 FFBDRO COC[C@@]1(C(=O)OC)CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000449456802 514218511 /nfs/dbraw/zinc/21/85/11/514218511.db2.gz SRWVVRBSSYIZFE-LJQANCHMSA-N 1 0 374.393 2.866 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000414654381 514224034 /nfs/dbraw/zinc/22/40/34/514224034.db2.gz JCMLPIHGEAKWAH-MRXNPFEDSA-N 1 0 362.430 2.845 20 5 FFBDRO CC(C)(C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000423823160 514245591 /nfs/dbraw/zinc/24/55/91/514245591.db2.gz HMYSLYKXBHAPQP-KRWDZBQOSA-N 1 0 371.441 2.681 20 5 FFBDRO CC(C)(C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000423823164 514245912 /nfs/dbraw/zinc/24/59/12/514245912.db2.gz HMYSLYKXBHAPQP-QGZVFWFLSA-N 1 0 371.441 2.681 20 5 FFBDRO CC(C)(C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1)[C@@H]([NH3+])c1ccccc1 ZINC000423825901 514248346 /nfs/dbraw/zinc/24/83/46/514248346.db2.gz LIGXHPWQAVGARX-KRWDZBQOSA-N 1 0 354.410 2.601 20 5 FFBDRO CCOc1cc(NC(=O)N[C@H]2C[NH2+]CC[C@@H]2C)c([N+](=O)[O-])cc1OCC ZINC000414752841 514273384 /nfs/dbraw/zinc/27/33/84/514273384.db2.gz CUJRORSDYJNCLB-AAEUAGOBSA-N 1 0 366.418 2.512 20 5 FFBDRO CCOc1cc(NC(=O)N2CC[C@H]([NH3+])[C@H](C)C2)c([N+](=O)[O-])cc1OCC ZINC000414752643 514273438 /nfs/dbraw/zinc/27/34/38/514273438.db2.gz CFMHLMOPWPCVJV-NEPJUHHUSA-N 1 0 366.418 2.593 20 5 FFBDRO CC1(C)CCC[N@H+](CCNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000444637199 514279867 /nfs/dbraw/zinc/27/98/67/514279867.db2.gz PWJLNUFZXKNQNQ-UHFFFAOYSA-N 1 0 371.441 2.632 20 5 FFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]([NH3+])c1ccccc1CC ZINC000423937186 514296432 /nfs/dbraw/zinc/29/64/32/514296432.db2.gz GAKUNNOMKJZXTJ-OAHLLOKOSA-N 1 0 357.410 2.986 20 5 FFBDRO CC(C)(C)[C@@H](C[NH3+])NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000423965730 514311644 /nfs/dbraw/zinc/31/16/44/514311644.db2.gz YQOVTBMEZNAQRC-GOSISDBHSA-N 1 0 351.450 2.644 20 5 FFBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000449721915 514322236 /nfs/dbraw/zinc/32/22/36/514322236.db2.gz UVGAYQCWRMEKRY-JQWIXIFHSA-N 1 0 374.363 2.659 20 5 FFBDRO CCOc1ccc(C(=O)N2CC[NH2+]C[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000423991589 514326494 /nfs/dbraw/zinc/32/64/94/514326494.db2.gz FBBXGAJLEMAGBT-QGZVFWFLSA-N 1 0 355.394 2.780 20 5 FFBDRO Cc1ccccc1[C@@H](CC(F)(F)F)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000444778688 514329936 /nfs/dbraw/zinc/32/99/36/514329936.db2.gz JPARGGURZUVGFN-DZGCQCFKSA-N 1 0 372.347 2.744 20 5 FFBDRO [NH3+][C@H]1CCO[C@@H](C2CCN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3)CC2)C1 ZINC000424010852 514338084 /nfs/dbraw/zinc/33/80/84/514338084.db2.gz LYFKRMHHAJSRAO-GOEBONIOSA-N 1 0 367.833 2.607 20 5 FFBDRO CCOc1ccc(C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000424012151 514340209 /nfs/dbraw/zinc/34/02/09/514340209.db2.gz OOPXXVYAVMDXRV-JKSUJKDBSA-N 1 0 373.384 2.700 20 5 FFBDRO C[NH2+]CCCN(C)C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000424031022 514349196 /nfs/dbraw/zinc/34/91/96/514349196.db2.gz IGZSAHVPYCAZPI-UHFFFAOYSA-N 1 0 356.426 2.888 20 5 FFBDRO Cc1c(NC(=O)CC[N@@H+](C)C[C@@H](O)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000433056065 514365096 /nfs/dbraw/zinc/36/50/96/514365096.db2.gz CAAFEESPUBDJDP-KRWDZBQOSA-N 1 0 371.437 2.767 20 5 FFBDRO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000414940552 514365383 /nfs/dbraw/zinc/36/53/83/514365383.db2.gz BSJRYICPVMNOHS-INIZCTEOSA-N 1 0 370.356 2.804 20 5 FFBDRO CN(C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000433364183 514471747 /nfs/dbraw/zinc/47/17/47/514471747.db2.gz NBJNUAXYAJWGRY-KSSFIOAISA-N 1 0 372.400 2.894 20 5 FFBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000421112823 514489034 /nfs/dbraw/zinc/48/90/34/514489034.db2.gz RGPLJNIMFJXGPG-GFCCVEGCSA-N 1 0 371.235 2.915 20 5 FFBDRO Cc1cc(C(=O)Nc2cccc(C[N@@H+]3CC[C@@H](O)C3)c2)cc([N+](=O)[O-])c1 ZINC000428535100 514491375 /nfs/dbraw/zinc/49/13/75/514491375.db2.gz JGBDVPJEGFZKDD-GOSISDBHSA-N 1 0 355.394 2.722 20 5 FFBDRO COc1cc(C(=O)NC2CCC(C[NH+](C)C)CC2)c([N+](=O)[O-])cc1F ZINC000450194278 514534309 /nfs/dbraw/zinc/53/43/09/514534309.db2.gz GMPPXKHIUVXXIA-UHFFFAOYSA-N 1 0 353.394 2.593 20 5 FFBDRO CNC(=O)CCC[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000507927699 514614676 /nfs/dbraw/zinc/61/46/76/514614676.db2.gz AAAJRJITVPPYEA-UHFFFAOYSA-N 1 0 356.426 2.979 20 5 FFBDRO CC(C)C[C@@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)[NH2+][C@@H](C)c1ccccc1 ZINC000497782187 514636546 /nfs/dbraw/zinc/63/65/46/514636546.db2.gz KAFIDULVHYOXIM-ZFWWWQNUSA-N 1 0 359.430 2.813 20 5 FFBDRO CCN(CCC[NH+](CC)CC)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000508197786 514701268 /nfs/dbraw/zinc/70/12/68/514701268.db2.gz ITMQRQLSIPSFAD-UHFFFAOYSA-N 1 0 373.457 2.975 20 5 FFBDRO Cc1cc(N2CCC(CC[NH+]3CCOCC3)CC2)c(F)cc1[N+](=O)[O-] ZINC000461777596 514732131 /nfs/dbraw/zinc/73/21/31/514732131.db2.gz GIKZJWONLNQEHH-UHFFFAOYSA-N 1 0 351.422 2.981 20 5 FFBDRO COc1c[nH+]ccc1N1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000475619609 514737310 /nfs/dbraw/zinc/73/73/10/514737310.db2.gz DHVUDNKVQCXYDZ-XQRVVYSFSA-N 1 0 354.410 2.834 20 5 FFBDRO COc1cc(C[N@@H+]2CCC[C@@H]2CN2C[C@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000489231150 514761657 /nfs/dbraw/zinc/76/16/57/514761657.db2.gz IPQZPDOHUQGPPA-YQQAZPJKSA-N 1 0 363.458 2.677 20 5 FFBDRO O=[N+]([O-])c1ccc(C[NH2+]CCNc2ccc(-c3ccccc3)nn2)c(F)c1 ZINC000479959451 514791106 /nfs/dbraw/zinc/79/11/06/514791106.db2.gz JQIKKSTXHDLVMR-UHFFFAOYSA-N 1 0 367.384 2.815 20 5 FFBDRO Cc1cc(N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461948222 514801096 /nfs/dbraw/zinc/80/10/96/514801096.db2.gz MHGQEEDSDGGBPY-CABCVRRESA-N 1 0 359.348 2.831 20 5 FFBDRO CN(C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000489336276 514803160 /nfs/dbraw/zinc/80/31/60/514803160.db2.gz UELLFSYSKHNBER-LBPRGKRZSA-N 1 0 355.341 2.505 20 5 FFBDRO Cc1cc(N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)c(F)cc1[N+](=O)[O-] ZINC000461955351 514803391 /nfs/dbraw/zinc/80/33/91/514803391.db2.gz LMGMIMKMQCCPNC-HNNXBMFYSA-N 1 0 350.438 2.649 20 5 FFBDRO CC[C@@H](NC(=O)NC[C@]1([NH+](C)C)CCSC1)c1cccc([N+](=O)[O-])c1 ZINC000489503323 514874930 /nfs/dbraw/zinc/87/49/30/514874930.db2.gz XZQZQZHMWYSSIE-NVXWUHKLSA-N 1 0 366.487 2.782 20 5 FFBDRO COc1ccc(C[NH2+][C@@H](C)CC(N)=O)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000498375944 514889486 /nfs/dbraw/zinc/88/94/86/514889486.db2.gz RPEHHXQMFRCICM-ZDUSSCGKSA-N 1 0 373.409 2.536 20 5 FFBDRO O=C(CC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)N1CCOc2ccccc21 ZINC000503093205 514915962 /nfs/dbraw/zinc/91/59/62/514915962.db2.gz AQCYXOWTSOKBDD-UHFFFAOYSA-N 1 0 367.405 2.769 20 5 FFBDRO CC(C)C[C@H](Nc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC[NH+](C)C ZINC000471522198 514916133 /nfs/dbraw/zinc/91/61/33/514916133.db2.gz MWDOBVRKOQXMCS-AWEZNQCLSA-N 1 0 356.854 2.753 20 5 FFBDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000471533704 514919661 /nfs/dbraw/zinc/91/96/61/514919661.db2.gz XNLMLVWDAXJJRB-MRXNPFEDSA-N 1 0 369.849 2.821 20 5 FFBDRO C[C@@H]1CC[N@H+](C)CCN1C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000498476599 514920606 /nfs/dbraw/zinc/92/06/06/514920606.db2.gz WKEMHZHODDTODW-GFCCVEGCSA-N 1 0 354.838 2.526 20 5 FFBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[C@@H]1C ZINC000498568321 514976739 /nfs/dbraw/zinc/97/67/39/514976739.db2.gz AXRLZSSZVMWODX-WDEREUQCSA-N 1 0 370.247 2.912 20 5 FFBDRO CNC(=O)[C@H](CCSC)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000489830542 514991875 /nfs/dbraw/zinc/99/18/75/514991875.db2.gz XULJRNUBTAFQIS-GJZGRUSLSA-N 1 0 351.472 2.775 20 5 FFBDRO CNC(=O)[C@H](CCSC)[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000489855212 515001164 /nfs/dbraw/zinc/00/11/64/515001164.db2.gz GVSGLTOBBOIVAN-BPUTZDHNSA-N 1 0 365.499 2.763 20 5 FFBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000467810748 515131151 /nfs/dbraw/zinc/13/11/51/515131151.db2.gz GPHAXUGSZKJVRF-BXUZGUMPSA-N 1 0 367.833 2.616 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCC[NH+](C(C)C)C(C)C)c1C ZINC000480946369 515147875 /nfs/dbraw/zinc/14/78/75/515147875.db2.gz BBXCUXZMSFJBST-UHFFFAOYSA-N 1 0 357.476 2.609 20 5 FFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H](SC)[C@H]([NH+](C)C)C1 ZINC000462768681 515231982 /nfs/dbraw/zinc/23/19/82/515231982.db2.gz QJMOFZDPLLLEKH-DJIMGWMZSA-N 1 0 365.499 2.668 20 5 FFBDRO CC(C)(C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1)n1cc([N+](=O)[O-])cn1 ZINC000485882304 515235060 /nfs/dbraw/zinc/23/50/60/515235060.db2.gz QANFTJBYQFPLHO-UHFFFAOYSA-N 1 0 371.319 2.643 20 5 FFBDRO Cc1c(Br)cc(C(=O)N2C[C@@H](C)N(C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000509591631 515246984 /nfs/dbraw/zinc/24/69/84/515246984.db2.gz JXVBXULEXCNTCU-ZJUUUORDSA-N 1 0 370.247 2.830 20 5 FFBDRO CCC[C@H]([NH2+][C@H]1CCOC[C@H]1OCCOC)c1cccc([N+](=O)[O-])c1 ZINC000486060552 515318357 /nfs/dbraw/zinc/31/83/57/515318357.db2.gz HOTKGQMMUBHNAP-OKZBNKHCSA-N 1 0 352.431 2.846 20 5 FFBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)NC1CC[NH+](C2CCC2)CC1 ZINC000456689074 515355147 /nfs/dbraw/zinc/35/51/47/515355147.db2.gz AGIHDNOLVMAVCQ-UHFFFAOYSA-N 1 0 360.458 2.920 20 5 FFBDRO Cc1c([C@H](C)[NH2+]C[C@H](O)COc2ccc3c(c2)OCO3)cccc1[N+](=O)[O-] ZINC000481554755 515377957 /nfs/dbraw/zinc/37/79/57/515377957.db2.gz CBGZCFJZGCYGTN-KBPBESRZSA-N 1 0 374.393 2.722 20 5 FFBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000499698807 515416911 /nfs/dbraw/zinc/41/69/11/515416911.db2.gz YCSPJMHZKBJWQG-HNNXBMFYSA-N 1 0 371.441 2.775 20 5 FFBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@@H](C)CC[NH3+])cc1 ZINC000477340364 515418615 /nfs/dbraw/zinc/41/86/15/515418615.db2.gz SOZYDAFYHWOFJH-LBPRGKRZSA-N 1 0 359.382 2.863 20 5 FFBDRO COCC[N@H+](C)CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)c1ccccc1 ZINC000505053916 515438723 /nfs/dbraw/zinc/43/87/23/515438723.db2.gz JWLCKEVMPIBSJM-OAHLLOKOSA-N 1 0 361.398 2.627 20 5 FFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCCN1CCC[C@@H]1C(=O)N(C)C ZINC000468643171 515450245 /nfs/dbraw/zinc/45/02/45/515450245.db2.gz OHZACYOTRQUFAH-XCTGESOMSA-N 1 0 374.485 2.530 20 5 FFBDRO COc1ccc(CNC(=O)C[NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)cc1 ZINC000468643871 515450784 /nfs/dbraw/zinc/45/07/84/515450784.db2.gz VDKJEQFGJZLFRY-XNTDXEJSSA-N 1 0 369.421 2.913 20 5 FFBDRO CC[N@H+](CCNc1ncnc2cccc([N+](=O)[O-])c21)CCC(F)(F)F ZINC000491610076 515461146 /nfs/dbraw/zinc/46/11/46/515461146.db2.gz NNXKENIPLTZYBT-UHFFFAOYSA-N 1 0 357.336 2.646 20 5 FFBDRO CC[NH+](CC)CCOC1CCN(c2cccc(OC)c2[N+](=O)[O-])CC1 ZINC000499830206 515473879 /nfs/dbraw/zinc/47/38/79/515473879.db2.gz MWTLDEXIEXPBDZ-UHFFFAOYSA-N 1 0 351.447 2.931 20 5 FFBDRO Cc1c(Br)cc(C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000510443606 515543736 /nfs/dbraw/zinc/54/37/36/515543736.db2.gz OQVWYEKAOYPNME-SKDRFNHKSA-N 1 0 370.247 2.878 20 5 FFBDRO CCc1n[nH]c(C(=O)N[C@H](C)[C@H](c2ccccc2C)[NH+](C)C)c1[N+](=O)[O-] ZINC000510526481 515569805 /nfs/dbraw/zinc/56/98/05/515569805.db2.gz STLIDIBYAUQEKH-MLGOLLRUSA-N 1 0 359.430 2.610 20 5 FFBDRO CC(C)c1n[nH]c(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000473309634 515573329 /nfs/dbraw/zinc/57/33/29/515573329.db2.gz KPAPRJAERDDSDV-HNNXBMFYSA-N 1 0 371.441 2.693 20 5 FFBDRO CC[NH+]1CCC(NC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000454622286 515617344 /nfs/dbraw/zinc/61/73/44/515617344.db2.gz QYMWLLWOLAJZPQ-MRXNPFEDSA-N 1 0 360.458 2.968 20 5 FFBDRO COc1cc(CN[C@@H]2CC[N@H+](C)[C@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000493707243 515658584 /nfs/dbraw/zinc/65/85/84/515658584.db2.gz OACIBGFAHWKVOP-DGCLKSJQSA-N 1 0 373.400 2.820 20 5 FFBDRO CON1CCC([N@H+](C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000459578280 515664191 /nfs/dbraw/zinc/66/41/91/515664191.db2.gz IBEFCQWBRPOGSC-UHFFFAOYSA-N 1 0 360.414 2.750 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)cc1SC ZINC000457127123 515671087 /nfs/dbraw/zinc/67/10/87/515671087.db2.gz REJLBPMKJKUWPQ-GFCCVEGCSA-N 1 0 367.471 2.880 20 5 FFBDRO CC(C)[NH+](CCN(C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C(C)C ZINC000505850457 515697231 /nfs/dbraw/zinc/69/72/31/515697231.db2.gz GZGKKAXZWKKBGI-UHFFFAOYSA-N 1 0 362.474 2.535 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC[C@@H](COc3ccccc3)C2)c1 ZINC000505861690 515700467 /nfs/dbraw/zinc/70/04/67/515700467.db2.gz FIXCDQCAKZAZGB-SJLPKXTDSA-N 1 0 372.421 2.735 20 5 FFBDRO C[NH+](C)CC(C)(C)NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000457215189 515730684 /nfs/dbraw/zinc/73/06/84/515730684.db2.gz YIAFZJNVBMVQLL-UHFFFAOYSA-N 1 0 351.450 2.611 20 5 FFBDRO Cn1ccnc1[C@H](NCC[C@@H]1CCC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000459734833 515778940 /nfs/dbraw/zinc/77/89/40/515778940.db2.gz OPIITLSDFBKUCH-MAUKXSAKSA-N 1 0 357.458 2.739 20 5 FFBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccc(Br)c(F)c1 ZINC000494267946 515789035 /nfs/dbraw/zinc/78/90/35/515789035.db2.gz KQGPYRFEVIJRSE-UHFFFAOYSA-N 1 0 357.183 2.825 20 5 FFBDRO Cc1ccccc1[C@H]([C@H](C)NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)[NH+](C)C ZINC000464419900 515817096 /nfs/dbraw/zinc/81/70/96/515817096.db2.gz NZFRIWRZNMCVKA-YOEHRIQHSA-N 1 0 373.457 2.642 20 5 FFBDRO COc1ccc(C(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000457358364 515827307 /nfs/dbraw/zinc/82/73/07/515827307.db2.gz BARGERCQMBARMJ-CVEARBPZSA-N 1 0 373.384 2.700 20 5 FFBDRO Cc1c(CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000478456902 515829903 /nfs/dbraw/zinc/82/99/03/515829903.db2.gz IZPZFAAFQDTHJS-GOSISDBHSA-N 1 0 368.437 2.977 20 5 FFBDRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1c(N)cccc1[N+](=O)[O-])[NH+](C)C ZINC000487438969 515861442 /nfs/dbraw/zinc/86/14/42/515861442.db2.gz JIODUNJWLINCEN-SCLBCKFNSA-N 1 0 356.426 2.907 20 5 FFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000500882307 515894192 /nfs/dbraw/zinc/89/41/92/515894192.db2.gz CQCAYMBTUSXVFY-MRXNPFEDSA-N 1 0 351.472 2.769 20 5 FFBDRO O=[N+]([O-])c1ccc(NCCCC[NH+]2CCN(c3ncccn3)CC2)c(F)c1 ZINC000511432151 515901764 /nfs/dbraw/zinc/90/17/64/515901764.db2.gz VSJYHNHMRHTTTK-UHFFFAOYSA-N 1 0 374.420 2.538 20 5 FFBDRO Cn1c(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)ccc1[N+](=O)[O-] ZINC000511699886 516005858 /nfs/dbraw/zinc/00/58/58/516005858.db2.gz AWDSQTUOKDOGSL-QGZVFWFLSA-N 1 0 370.453 2.964 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+]CCc2cccc(C)c2)cc1[N+](=O)[O-] ZINC000474356118 516008954 /nfs/dbraw/zinc/00/89/54/516008954.db2.gz YQDZESMSTGWIFZ-UHFFFAOYSA-N 1 0 358.394 2.787 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N3CCC[C@@H]3C[NH+](C)C)cc2[N+](=O)[O-])CC1 ZINC000464928408 516018903 /nfs/dbraw/zinc/01/89/03/516018903.db2.gz XRTQPBUISWIBKW-QGZVFWFLSA-N 1 0 374.485 2.997 20 5 FFBDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000464974584 516031830 /nfs/dbraw/zinc/03/18/30/516031830.db2.gz RXFYQLUCBSIBDR-INIZCTEOSA-N 1 0 356.426 2.527 20 5 FFBDRO COC1CC[NH+](C(C)(C)CNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000470128567 516132520 /nfs/dbraw/zinc/13/25/20/516132520.db2.gz NIXHNSOYNCKPBP-UHFFFAOYSA-N 1 0 368.409 2.745 20 5 FFBDRO O=C1COc2ccc(C[NH2+]CCc3ccc(Cl)cc3[N+](=O)[O-])cc2N1 ZINC000512221544 516201242 /nfs/dbraw/zinc/20/12/42/516201242.db2.gz YWNOHBWYVNAFBL-UHFFFAOYSA-N 1 0 361.785 2.911 20 5 FFBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000488383469 516209366 /nfs/dbraw/zinc/20/93/66/516209366.db2.gz KNFUWARYXGUCJV-CHWSQXEVSA-N 1 0 368.865 2.915 20 5 FFBDRO CC[N@@H+]1C[C@H](C)N(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000488383470 516209404 /nfs/dbraw/zinc/20/94/04/516209404.db2.gz KNFUWARYXGUCJV-OLZOCXBDSA-N 1 0 368.865 2.915 20 5 FFBDRO CC(C)[C@H]1CN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000488509594 516245317 /nfs/dbraw/zinc/24/53/17/516245317.db2.gz ASZNVEBMPLQYEM-GOSISDBHSA-N 1 0 357.458 2.767 20 5 FFBDRO COc1ccc(CNC(=O)NCCC[NH+](C(C)C)C(C)C)cc1[N+](=O)[O-] ZINC000470487355 516268858 /nfs/dbraw/zinc/26/88/58/516268858.db2.gz RABHGZDBJNESPK-UHFFFAOYSA-N 1 0 366.462 2.912 20 5 FFBDRO CCCN(CC[NH+]1CCCC1)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000512487749 516294787 /nfs/dbraw/zinc/29/47/87/516294787.db2.gz ZDSXBQCTMGUYDB-UHFFFAOYSA-N 1 0 359.430 2.953 20 5 FFBDRO C[C@@H](NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000484135245 516302869 /nfs/dbraw/zinc/30/28/69/516302869.db2.gz QXUMMAZSEFIAAK-OXQOHEQNSA-N 1 0 355.438 2.882 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC1(C)CC[NH+](C)CC1 ZINC000507844407 516311872 /nfs/dbraw/zinc/31/18/72/516311872.db2.gz JCGCYYSHANPHGJ-LBPRGKRZSA-N 1 0 369.849 2.864 20 5 FFBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](CCO)C2CCOCC2)cc1[N+](=O)[O-] ZINC000461095965 516316519 /nfs/dbraw/zinc/31/65/19/516316519.db2.gz APRNUAVUFPNSHU-CJNGLKHVSA-N 1 0 352.431 2.822 20 5 FFBDRO O=[N+]([O-])c1cc(C[NH2+][C@]2(CO)CCOC2)ccc1Oc1ccc(F)cc1 ZINC000543620588 516334073 /nfs/dbraw/zinc/33/40/73/516334073.db2.gz CUYXRWCENCOAAA-SFHVURJKSA-N 1 0 362.357 2.767 20 5 FFBDRO COc1ccc(CC(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000547437928 516336461 /nfs/dbraw/zinc/33/64/61/516336461.db2.gz DQVLNGVJVMXQQO-VLIAUNLRSA-N 1 0 371.437 2.954 20 5 FFBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCCC[NH+]1CCCC1 ZINC000550648987 516368880 /nfs/dbraw/zinc/36/88/80/516368880.db2.gz UFCPDQWRBWUIFA-UHFFFAOYSA-N 1 0 370.247 2.881 20 5 FFBDRO C[C@H]([NH2+][C@@H]1CCN(C)[C@H]1c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000550678861 516380611 /nfs/dbraw/zinc/38/06/11/516380611.db2.gz WPNORCQKDHCOHC-KYNGSXCRSA-N 1 0 368.437 2.957 20 5 FFBDRO C[N@@H+]1CCN(c2ncnc3cccc([N+](=O)[O-])c32)C[C@H]1Cc1ccccc1 ZINC000557742408 516414204 /nfs/dbraw/zinc/41/42/04/516414204.db2.gz RUWAUWDZLUCYIW-MRXNPFEDSA-N 1 0 363.421 2.901 20 5 FFBDRO COc1ccc(C[NH2+][C@@H](CC(=O)N(C)C)c2ccccc2)cc1[N+](=O)[O-] ZINC000557759746 516423797 /nfs/dbraw/zinc/42/37/97/516423797.db2.gz VMHLDWYELURICH-INIZCTEOSA-N 1 0 357.410 2.913 20 5 FFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](N1CCOCC1)C(F)(F)F ZINC000512972588 516430054 /nfs/dbraw/zinc/43/00/54/516430054.db2.gz UYXRNUPBQJCTHF-OVHOFWQVSA-N 1 0 373.375 2.851 20 5 FFBDRO CCN(CC[NH+]1CCCCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000557850690 516470812 /nfs/dbraw/zinc/47/08/12/516470812.db2.gz YSSFJWBERGOEKV-UHFFFAOYSA-N 1 0 369.487 2.790 20 5 FFBDRO CC1CC[NH+](CCc2cccc(NC(=O)c3c([N+](=O)[O-])cnn3C)c2)CC1 ZINC000535819715 516519856 /nfs/dbraw/zinc/51/98/56/516519856.db2.gz DSSPUCFCIPHPBV-UHFFFAOYSA-N 1 0 371.441 2.855 20 5 FFBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H](C)C1 ZINC000561347288 516534743 /nfs/dbraw/zinc/53/47/43/516534743.db2.gz IDPLMKXOSNMIJX-OGHNNQOOSA-N 1 0 365.861 2.979 20 5 FFBDRO O=[N+]([O-])c1ccc2c(ccnc2N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)c1 ZINC000518310330 516607955 /nfs/dbraw/zinc/60/79/55/516607955.db2.gz GFLONWNHGDUULN-ZWKOTPCHSA-N 1 0 356.426 2.620 20 5 FFBDRO C[C@H]([NH2+]CCOc1ccc(S(C)(=O)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000531720453 516611138 /nfs/dbraw/zinc/61/11/38/516611138.db2.gz OHNCZQNZLAPRLM-ZDUSSCGKSA-N 1 0 364.423 2.728 20 5 FFBDRO CN(c1ccccc1)c1ccc(C[NH2+]CCc2ncn(C)n2)cc1[N+](=O)[O-] ZINC000540620021 516644131 /nfs/dbraw/zinc/64/41/31/516644131.db2.gz XZFFVPDHNXQQQF-UHFFFAOYSA-N 1 0 366.425 2.824 20 5 FFBDRO COc1ccc(CC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000536262817 516700400 /nfs/dbraw/zinc/70/04/00/516700400.db2.gz JGHNCNIQONLFBD-JXFKEZNVSA-N 1 0 369.421 2.708 20 5 FFBDRO COC(=O)COc1ccc(C[N@@H+]2CC3(CCC3)[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000555099892 516780433 /nfs/dbraw/zinc/78/04/33/516780433.db2.gz QWDKXIQOUBMQBR-SFHVURJKSA-N 1 0 360.410 2.911 20 5 FFBDRO O=C(NCC1([NH+]2CCCCC2)CCCCC1)Nc1ccncc1[N+](=O)[O-] ZINC000540978786 516811744 /nfs/dbraw/zinc/81/17/44/516811744.db2.gz NHUBQTFKHBHIKB-UHFFFAOYSA-N 1 0 361.446 2.722 20 5 FFBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000558596182 516826560 /nfs/dbraw/zinc/82/65/60/516826560.db2.gz JEGNBSLDVVCTBW-DLBZAZTESA-N 1 0 368.437 2.527 20 5 FFBDRO C[NH+](C)C[C@H]1CCCCN1C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000541029667 516838309 /nfs/dbraw/zinc/83/83/09/516838309.db2.gz KMQUWRKAHPPDDA-GFCCVEGCSA-N 1 0 357.357 2.753 20 5 FFBDRO C[NH+](C)C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000552027722 517036897 /nfs/dbraw/zinc/03/68/97/517036897.db2.gz XXDPTWBNSNGMQW-CYBMUJFWSA-N 1 0 362.817 2.718 20 5 FFBDRO CC(C)OC1CC[NH+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1 ZINC000532633082 517073231 /nfs/dbraw/zinc/07/32/31/517073231.db2.gz SZRDIBQLYCBKPN-UHFFFAOYSA-N 1 0 363.414 2.782 20 5 FFBDRO CC[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C)c1c(C)nn(C)c1C ZINC000541593734 517130030 /nfs/dbraw/zinc/13/00/30/517130030.db2.gz YNWQYIYVBGFTTN-OAHLLOKOSA-N 1 0 359.430 2.933 20 5 FFBDRO CN(CC(=O)NC1C2CC3CC(C2)CC1C3)Cc1ccccc1[N+](=O)[O-] ZINC000515033428 517178686 /nfs/dbraw/zinc/17/86/86/517178686.db2.gz GMSAEBXKPIPPDE-UHFFFAOYSA-N 1 0 357.454 2.968 20 5 FFBDRO COc1ccc(OCC[N@@H+]2CCC[C@@H]2C2CCOCC2)c([N+](=O)[O-])c1 ZINC000537525024 517219521 /nfs/dbraw/zinc/21/95/21/517219521.db2.gz OJIMUHXLXYLZTK-MRXNPFEDSA-N 1 0 350.415 2.873 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])c(NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)n1 ZINC000541935057 517299819 /nfs/dbraw/zinc/29/98/19/517299819.db2.gz BPAXRBXKUCJQLU-IAGOWNOFSA-N 1 0 356.426 2.654 20 5 FFBDRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000537718818 517306918 /nfs/dbraw/zinc/30/69/18/517306918.db2.gz WKPUHEUOLGELHL-CYBMUJFWSA-N 1 0 365.455 2.632 20 5 FFBDRO COc1ccc(NC(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000542030229 517346578 /nfs/dbraw/zinc/34/65/78/517346578.db2.gz RGKFLFWBTVVKQR-OLZOCXBDSA-N 1 0 350.419 2.988 20 5 FFBDRO Cc1ccc(NCCC[NH2+][C@@H](Cc2ccc(F)cc2)C(N)=O)c([N+](=O)[O-])c1 ZINC000542236265 517454056 /nfs/dbraw/zinc/45/40/56/517454056.db2.gz VDBUBNQHFUGVBZ-KRWDZBQOSA-N 1 0 374.416 2.531 20 5 FFBDRO CCCCOC1CC[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000542280479 517483054 /nfs/dbraw/zinc/48/30/54/517483054.db2.gz OGMBSYXEHFHOJV-OAHLLOKOSA-N 1 0 352.431 2.616 20 5 FFBDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2cccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000553059409 517502615 /nfs/dbraw/zinc/50/26/15/517502615.db2.gz JSMINWVOZANALW-HUUCEWRRSA-N 1 0 360.458 2.785 20 5 FFBDRO Cc1ccc(C(=O)NCC[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000562944542 517521433 /nfs/dbraw/zinc/52/14/33/517521433.db2.gz YYPSCSSHBHBURS-IRXDYDNUSA-N 1 0 371.441 2.603 20 5 FFBDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)COc2ccc3c(c2)OCO3)cc1[N+](=O)[O-] ZINC000538277664 517537530 /nfs/dbraw/zinc/53/75/30/517537530.db2.gz WSRRWRFYNKVHRX-ZFWWWQNUSA-N 1 0 374.393 2.722 20 5 FFBDRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000562965424 517539403 /nfs/dbraw/zinc/53/94/03/517539403.db2.gz VNXYIQYPORZVCL-INIZCTEOSA-N 1 0 357.410 2.525 20 5 FFBDRO O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000562973572 517546276 /nfs/dbraw/zinc/54/62/76/517546276.db2.gz MDKPCYRJAFIZTM-NSHDSACASA-N 1 0 373.331 2.502 20 5 FFBDRO O=C(NC[C@@H](NCc1ccccc1)c1ccco1)c1ccc([N+](=O)[O-])[nH]1 ZINC000553212816 517578397 /nfs/dbraw/zinc/57/83/97/517578397.db2.gz XXAOAFYVVQBGAF-OAHLLOKOSA-N 1 0 354.366 2.777 20 5 FFBDRO COC(=O)[C@H]1CCCC[C@@]1(C)[NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000538375517 517594080 /nfs/dbraw/zinc/59/40/80/517594080.db2.gz KJWSNAIMNWWPFT-RDTXWAMCSA-N 1 0 363.414 2.553 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCCCC[N@@H+]2CCCC[C@H]2C)n1 ZINC000553275576 517620754 /nfs/dbraw/zinc/62/07/54/517620754.db2.gz LGRMFHFEKJDVJQ-CYBMUJFWSA-N 1 0 350.419 2.843 20 5 FFBDRO CC[NH+](CC)CC1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000521185781 517641187 /nfs/dbraw/zinc/64/11/87/517641187.db2.gz IEFGEMDGHGSZOE-UHFFFAOYSA-N 1 0 363.414 2.518 20 5 FFBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000553353289 517663840 /nfs/dbraw/zinc/66/38/40/517663840.db2.gz SWXLOHVBLZUBAU-LBPRGKRZSA-N 1 0 357.357 2.800 20 5 FFBDRO C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000542666926 517678230 /nfs/dbraw/zinc/67/82/30/517678230.db2.gz ZTWXIDITPWIGPG-FZKQIMNGSA-N 1 0 360.435 2.892 20 5 FFBDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000521323455 517693061 /nfs/dbraw/zinc/69/30/61/517693061.db2.gz SQLWLMUCUXSLBS-GFCCVEGCSA-N 1 0 356.854 2.819 20 5 FFBDRO C[C@@H]1CN(C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C[C@H](C)[NH2+]1 ZINC000521433788 517730608 /nfs/dbraw/zinc/73/06/08/517730608.db2.gz YNHLCOXXQDKDEC-PHIMTYICSA-N 1 0 371.387 2.782 20 5 FFBDRO CC1CC[NH+](CCNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000546577306 517736894 /nfs/dbraw/zinc/73/68/94/517736894.db2.gz CGUTVSZTJOFXGN-UHFFFAOYSA-N 1 0 351.422 2.860 20 5 FFBDRO CN(CCC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)c1cc[nH+]cc1 ZINC000542786753 517741299 /nfs/dbraw/zinc/74/12/99/517741299.db2.gz SFRSNBURUPGCKR-UHFFFAOYSA-N 1 0 356.426 2.955 20 5 FFBDRO C[C@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)C1=CC[N@H+](C)CC1 ZINC000542826124 517768313 /nfs/dbraw/zinc/76/83/13/517768313.db2.gz JFIBVLBNKYBZRJ-HNNXBMFYSA-N 1 0 372.469 2.578 20 5 FFBDRO Cn1ccnc1[C@@H](N[C@@H]1CCC[C@@H]([NH+](C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000560531850 517876504 /nfs/dbraw/zinc/87/65/04/517876504.db2.gz ZYPDRTHMLLVQKR-NUJGCVRESA-N 1 0 357.458 2.880 20 5 FFBDRO CCC[C@H]([NH2+]CCS(=O)(=O)NC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000539045944 517895410 /nfs/dbraw/zinc/89/54/10/517895410.db2.gz CVERYGNPMYPYLR-HNNXBMFYSA-N 1 0 357.476 2.744 20 5 FFBDRO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](CC2Cc3ccccc3C2)CC1 ZINC000560621935 517936866 /nfs/dbraw/zinc/93/68/66/517936866.db2.gz HPCUDVGYHVOURX-UHFFFAOYSA-N 1 0 365.433 2.768 20 5 FFBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000534643360 517978722 /nfs/dbraw/zinc/97/87/22/517978722.db2.gz SQGPAHNXQQTFEQ-OAGGEKHMSA-N 1 0 362.474 2.803 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)c1F ZINC000560734420 517994172 /nfs/dbraw/zinc/99/41/72/517994172.db2.gz XAQFOSGSXFKEQR-UHFFFAOYSA-N 1 0 367.421 2.618 20 5 FFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cnn2ccccc12 ZINC000517047330 517996870 /nfs/dbraw/zinc/99/68/70/517996870.db2.gz WSQBSVGKERAFEP-ZDUSSCGKSA-N 1 0 353.382 2.749 20 5 FFBDRO CC1=CC[N@H+](CCNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 ZINC000547281590 518056261 /nfs/dbraw/zinc/05/62/61/518056261.db2.gz HCQAJHBUHDBBGK-UHFFFAOYSA-N 1 0 358.442 2.577 20 5 FFBDRO CC[N@H+](C)C[C@@H]1CCN(c2ncc([N+](=O)[O-])c(C)c2Br)C1 ZINC000543437606 518090239 /nfs/dbraw/zinc/09/02/39/518090239.db2.gz YKBROTMTAFITJC-NSHDSACASA-N 1 0 357.252 2.839 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CCOc2ccccc2Cl)c1 ZINC000517359925 518128072 /nfs/dbraw/zinc/12/80/72/518128072.db2.gz WTYNKPZWXURDIT-CQSZACIVSA-N 1 0 366.801 2.657 20 5 FFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)c1 ZINC000575368859 518205827 /nfs/dbraw/zinc/20/58/27/518205827.db2.gz WKFYGRWPJYVDAR-UYAOXDASSA-N 1 0 355.438 2.567 20 5 FFBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]C[C@H](O)COc3ccccc3F)c2c1 ZINC000575742852 518259684 /nfs/dbraw/zinc/25/96/84/518259684.db2.gz XIAHLDMTEFXHIE-HNNXBMFYSA-N 1 0 373.384 2.787 20 5 FFBDRO CC[NH+]1CCN(Cc2ccc(CNc3ccc([N+](=O)[O-])nc3)cc2)CC1 ZINC000569851274 518324664 /nfs/dbraw/zinc/32/46/64/518324664.db2.gz SEMQGGXVDSYKFV-UHFFFAOYSA-N 1 0 355.442 2.739 20 5 FFBDRO Cn1cncc1[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCO1 ZINC000575941676 518353744 /nfs/dbraw/zinc/35/37/44/518353744.db2.gz GSIKUJVZNTWDKO-AESZEHBQSA-N 1 0 374.445 2.518 20 5 FFBDRO Cc1ccc(C2(C[NH2+]C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CCCC2)c(C)c1 ZINC000572870280 518400009 /nfs/dbraw/zinc/40/00/09/518400009.db2.gz JDIDUZSCWADCNP-GOSISDBHSA-N 1 0 372.469 2.871 20 5 FFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000572869307 518400526 /nfs/dbraw/zinc/40/05/26/518400526.db2.gz KDORIRHSYFCKSU-AAEUAGOBSA-N 1 0 372.450 2.925 20 5 FFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)NCCC[C@@H]1CCC[NH2+]1 ZINC000570037269 518411399 /nfs/dbraw/zinc/41/13/99/518411399.db2.gz POQVNYCITLGQCQ-LBPRGKRZSA-N 1 0 370.247 2.548 20 5 FFBDRO CCOc1cc(NC(=O)N[C@H](C)C[C@H](C)[NH3+])c([N+](=O)[O-])cc1OCC ZINC000567269644 518439327 /nfs/dbraw/zinc/43/93/27/518439327.db2.gz QASOZKQZOHJQBS-WDEREUQCSA-N 1 0 354.407 2.640 20 5 FFBDRO COC(=O)c1cnc(NC[C@H](c2ccsc2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000564461406 518462033 /nfs/dbraw/zinc/46/20/33/518462033.db2.gz KDRLYNKXSYEGFC-CYBMUJFWSA-N 1 0 350.400 2.553 20 5 FFBDRO COc1cccc(C(=O)NCC[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000581893813 518491054 /nfs/dbraw/zinc/49/10/54/518491054.db2.gz BAUFQFJQIXUNJB-KRWDZBQOSA-N 1 0 355.394 2.610 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000573083442 518499024 /nfs/dbraw/zinc/49/90/24/518499024.db2.gz OIRJFOSBYHAHCQ-PXAZEXFGSA-N 1 0 367.833 2.618 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000573083443 518499473 /nfs/dbraw/zinc/49/94/73/518499473.db2.gz OIRJFOSBYHAHCQ-SJCJKPOMSA-N 1 0 367.833 2.618 20 5 FFBDRO O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000586802542 518646810 /nfs/dbraw/zinc/64/68/10/518646810.db2.gz NUOKEEYHQDECJS-MRXNPFEDSA-N 1 0 357.414 2.629 20 5 FFBDRO CC(C)[C@H](C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1cccnc1 ZINC000570564350 518670320 /nfs/dbraw/zinc/67/03/20/518670320.db2.gz NBEMZJUXGPPYJB-MJGOQNOKSA-N 1 0 359.426 2.759 20 5 FFBDRO [NH3+]CC12CCC(CC1)CN2C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000579487709 518704990 /nfs/dbraw/zinc/70/49/90/518704990.db2.gz DQWOLMNEBDMXFW-UHFFFAOYSA-N 1 0 367.833 2.747 20 5 FFBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@H]2CCN(Cc3ccccc3)C3(CC3)C2)c1 ZINC000564959188 518714459 /nfs/dbraw/zinc/71/44/59/518714459.db2.gz OPJXLOALBWKEQS-KRWDZBQOSA-N 1 0 355.442 2.578 20 5 FFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000564995465 518735166 /nfs/dbraw/zinc/73/51/66/518735166.db2.gz VQVPMLIMXFMFLL-CVEARBPZSA-N 1 0 369.421 2.808 20 5 FFBDRO CCN(CC[NH+]1CCCCCC1)C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000588188689 518745018 /nfs/dbraw/zinc/74/50/18/518745018.db2.gz HEUMFDLJANWRJT-UHFFFAOYSA-N 1 0 363.414 2.662 20 5 FFBDRO Cc1c(NC(=O)CCN2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000573670265 518778172 /nfs/dbraw/zinc/77/81/72/518778172.db2.gz PFBSNDUGAYMIPI-FUHWJXTLSA-N 1 0 360.458 2.838 20 5 FFBDRO CC[C@H](C)[NH2+][C@H](CNC(=O)COc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000588766088 518824423 /nfs/dbraw/zinc/82/44/23/518824423.db2.gz FHGQHOUTKHLRPW-UONOGXRCSA-N 1 0 361.398 2.812 20 5 FFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000568010483 518829745 /nfs/dbraw/zinc/82/97/45/518829745.db2.gz IBDHIOYRNLBWRX-IBGZPJMESA-N 1 0 354.410 2.693 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CCc2ccc(Cl)cc2)cc1 ZINC000582748569 518902206 /nfs/dbraw/zinc/90/22/06/518902206.db2.gz JRVMADDWDFVDTI-UHFFFAOYSA-N 1 0 368.842 2.854 20 5 FFBDRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000589104301 518916177 /nfs/dbraw/zinc/91/61/77/518916177.db2.gz INJRUPAMVIELKZ-CYBMUJFWSA-N 1 0 371.393 2.574 20 5 FFBDRO O=[N+]([O-])c1cncc(Cl)c1NCc1ccccc1CN1CCOCC1 ZINC000589106643 518916317 /nfs/dbraw/zinc/91/63/17/518916317.db2.gz VJVUJSVZSHBDEG-UHFFFAOYSA-N 1 0 362.817 2.509 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H](c1ccccc1)[C@@H]1CCCO1 ZINC000582840732 518947995 /nfs/dbraw/zinc/94/79/95/518947995.db2.gz IXXBSVNZDHXMMF-UXPWSPDFSA-N 1 0 372.421 2.844 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000568353127 518993405 /nfs/dbraw/zinc/99/34/05/518993405.db2.gz SXOHMDBNMZTYFZ-MRXNPFEDSA-N 1 0 365.430 2.679 20 5 FFBDRO CSc1ccc(C(=O)NCC2(SC)CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000589477839 519013615 /nfs/dbraw/zinc/01/36/15/519013615.db2.gz QBEMKWYVDJKNHR-UHFFFAOYSA-N 1 0 369.512 2.874 20 5 FFBDRO CC[C@H](CO)[NH+]1CCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000582978232 519017683 /nfs/dbraw/zinc/01/76/83/519017683.db2.gz OJJYTWBHYRDYGE-CYBMUJFWSA-N 1 0 361.364 2.502 20 5 FFBDRO COc1ccc(OCCN2CCc3ccccc3[C@@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000568395006 519019095 /nfs/dbraw/zinc/01/90/95/519019095.db2.gz KEZQGJKXTVRLEK-SFHVURJKSA-N 1 0 357.410 2.540 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[C@@H](C[N@H+](C)CC3CC3)C2)c1 ZINC000589502639 519019680 /nfs/dbraw/zinc/01/96/80/519019680.db2.gz ATGGYAJOFFSSDW-HNNXBMFYSA-N 1 0 361.442 2.545 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c1 ZINC000589501866 519019833 /nfs/dbraw/zinc/01/98/33/519019833.db2.gz IMWKKEMRGBSPRY-SJORKVTESA-N 1 0 361.442 2.829 20 5 FFBDRO CCn1cc([N+](=O)[O-])c(-c2nc(-c3ccc(F)c(C[NH+](C)C)c3)no2)n1 ZINC000582990169 519022151 /nfs/dbraw/zinc/02/21/51/519022151.db2.gz DWIRNJJCUOJQKY-UHFFFAOYSA-N 1 0 360.349 2.729 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000580184051 519050253 /nfs/dbraw/zinc/05/02/53/519050253.db2.gz VBPLNUIAKHGFKQ-VTPLQMEGSA-N 1 0 367.833 2.601 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000571385217 519068876 /nfs/dbraw/zinc/06/88/76/519068876.db2.gz HYHJBOHAUZGFPM-CYBMUJFWSA-N 1 0 350.419 2.845 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@@H]2CCCCC2(F)F)cc1 ZINC000571433276 519094336 /nfs/dbraw/zinc/09/43/36/519094336.db2.gz VXBQCTUABFWGOD-LBPRGKRZSA-N 1 0 362.398 2.784 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](O)COc1cccc2[nH]ccc21 ZINC000565711782 519095559 /nfs/dbraw/zinc/09/55/59/519095559.db2.gz GXIBABAQRBTPOP-OAHLLOKOSA-N 1 0 371.393 2.614 20 5 FFBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+][C@@H]1CCN(c3ccccc3F)C1)OCCO2 ZINC000589938039 519107556 /nfs/dbraw/zinc/10/75/56/519107556.db2.gz PUEUYNIKIYSJKU-CQSZACIVSA-N 1 0 373.384 2.874 20 5 FFBDRO CC[NH+](CC)Cc1ccc(NC(=O)c2ccnc(NC)c2[N+](=O)[O-])cc1 ZINC000574462964 519168113 /nfs/dbraw/zinc/16/81/13/519168113.db2.gz LFVWIKLFHCAIEJ-UHFFFAOYSA-N 1 0 357.414 2.548 20 5 FFBDRO COc1ccc([C@H](C[NH+](C)C)NC(=O)Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000568769071 519206337 /nfs/dbraw/zinc/20/63/37/519206337.db2.gz PNUJEELVKPJHSA-SFHVURJKSA-N 1 0 371.437 2.873 20 5 FFBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000590404140 519217838 /nfs/dbraw/zinc/21/78/38/519217838.db2.gz UTVVJKSDZXOHBI-VYDXJSESSA-N 1 0 374.485 2.996 20 5 FFBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000590404365 519217914 /nfs/dbraw/zinc/21/79/14/519217914.db2.gz ZUOWZRRCVCXDML-NHYWBVRUSA-N 1 0 360.439 2.883 20 5 FFBDRO COC1CC[NH+](C(C)(C)CNC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000580546283 519231721 /nfs/dbraw/zinc/23/17/21/519231721.db2.gz ZMXGJFTWCMEOMS-CQSZACIVSA-N 1 0 363.458 2.704 20 5 FFBDRO CC(C)(C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)Cc1cccc(Cl)c1 ZINC000568857425 519252625 /nfs/dbraw/zinc/25/26/25/519252625.db2.gz CUOMVLRBVKWXQR-MRXNPFEDSA-N 1 0 366.849 2.664 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H]2COc3ccc(Cl)cc32)c1 ZINC000577842254 519283947 /nfs/dbraw/zinc/28/39/47/519283947.db2.gz OXXFZVBJHQEZRV-CJNGLKHVSA-N 1 0 364.785 2.711 20 5 FFBDRO O=C1[C@@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CCCN1CC(F)(F)F ZINC000574704433 519289836 /nfs/dbraw/zinc/28/98/36/519289836.db2.gz WNPQRBJBJGGQLN-OLZOCXBDSA-N 1 0 357.332 2.725 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2csc(NC3CC[NH+]([C@@H]4CCOC4)CC3)n2)cc1 ZINC000590694597 519320555 /nfs/dbraw/zinc/32/05/55/519320555.db2.gz SKGUAOKAHGIXKB-MRXNPFEDSA-N 1 0 374.466 2.805 20 5 FFBDRO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@@H+](C[C@H]4CCCC[C@H]4O)CC3)nc2c1 ZINC000577956282 519342709 /nfs/dbraw/zinc/34/27/09/519342709.db2.gz XOJBFEKOJQWGHE-RDTXWAMCSA-N 1 0 373.457 2.534 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CCc2ccccc2Cl)c1 ZINC000583626560 519347577 /nfs/dbraw/zinc/34/75/77/519347577.db2.gz WMYGAHGZDMFGRM-HNNXBMFYSA-N 1 0 350.802 2.820 20 5 FFBDRO C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C[N@@H+]1C1CC1 ZINC000583666820 519366346 /nfs/dbraw/zinc/36/63/46/519366346.db2.gz SQXBXSHQHPQYIB-ZFWWWQNUSA-N 1 0 358.442 2.868 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]Cc1ccccc1OC(F)F ZINC000578044803 519388621 /nfs/dbraw/zinc/38/86/21/519388621.db2.gz TXRVGQDIHFYXII-CYBMUJFWSA-N 1 0 368.336 2.726 20 5 FFBDRO C[C@@H]1COCC[N@@H+]1C1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000578140331 519440344 /nfs/dbraw/zinc/44/03/44/519440344.db2.gz GMSIUVSJVQFFAU-CYBMUJFWSA-N 1 0 353.850 2.933 20 5 FFBDRO CC(C)C[N@@H+]1Cc2cccc(NC(=O)c3ccnc(N)c3[N+](=O)[O-])c2C1 ZINC000566440509 519494274 /nfs/dbraw/zinc/49/42/74/519494274.db2.gz KLAZRPCCNKABNA-UHFFFAOYSA-N 1 0 355.398 2.626 20 5 FFBDRO O=[N+]([O-])c1cnc(Sc2nnc(C3CC[NH2+]CC3)n2C2CC2)c(F)c1 ZINC000591147284 519530340 /nfs/dbraw/zinc/53/03/40/519530340.db2.gz LXEUPTSVZXQFRO-UHFFFAOYSA-N 1 0 364.406 2.674 20 5 FFBDRO C[C@@H]1C[N@@H+](CCC2CCN(c3ncc([N+](=O)[O-])cc3F)CC2)C[C@H](C)O1 ZINC000591149373 519530457 /nfs/dbraw/zinc/53/04/57/519530457.db2.gz UWMFMMRCFVBGTJ-OKILXGFUSA-N 1 0 366.437 2.845 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000581184675 519564771 /nfs/dbraw/zinc/56/47/71/519564771.db2.gz DZGUJEWQXHNUFQ-SNVBAGLBSA-N 1 0 353.806 2.931 20 5 FFBDRO COc1cc(CN[C@@H](C)C[C@@H](C)[NH3+])c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000566620096 519581701 /nfs/dbraw/zinc/58/17/01/519581701.db2.gz MCQSNKSMSPQZFR-ZJUUUORDSA-N 1 0 365.352 2.760 20 5 FFBDRO Cc1ccc(C)c(S(=O)(=O)N(CCC[NH3+])CC2CCCC2)c1[N+](=O)[O-] ZINC000575311783 519582406 /nfs/dbraw/zinc/58/24/06/519582406.db2.gz XPLVDPVTKBLELV-UHFFFAOYSA-N 1 0 369.487 2.741 20 5 FFBDRO CC(C)[C@@H]1CCc2ccccc2[C@@H]1[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000578436922 519591605 /nfs/dbraw/zinc/59/16/05/519591605.db2.gz NSPKCCBEATWXSH-ZIFCJYIRSA-N 1 0 358.442 2.702 20 5 FFBDRO Cc1ccccc1O[C@@H](C)C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000572393397 519592522 /nfs/dbraw/zinc/59/25/22/519592522.db2.gz IHGIGFIKDDGNHM-HOTGVXAUSA-N 1 0 360.410 2.700 20 5 FFBDRO COc1cccc(Cl)c1C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000584108765 519595210 /nfs/dbraw/zinc/59/52/10/519595210.db2.gz SEFUCWNNDKWPON-GFCCVEGCSA-N 1 0 366.801 2.786 20 5 FFBDRO CC(C)N(Cc1cn(C)nc1[N+](=O)[O-])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000602853300 519926136 /nfs/dbraw/zinc/92/61/36/519926136.db2.gz WXUSTARGOVRNRN-GOSISDBHSA-N 1 0 357.458 2.813 20 5 FFBDRO CCOc1cc(C[NH2+][C@H]([C@H]2CCCO2)C2(CO)CCC2)ccc1[N+](=O)[O-] ZINC000602891746 519952782 /nfs/dbraw/zinc/95/27/82/519952782.db2.gz OLPBUSFINJZTGX-SJLPKXTDSA-N 1 0 364.442 2.793 20 5 FFBDRO CCN(C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000599986191 519984934 /nfs/dbraw/zinc/98/49/34/519984934.db2.gz QDBWSVAPIJXXDC-UHFFFAOYSA-N 1 0 369.849 2.960 20 5 FFBDRO CCC1([NH+](C)C)CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000602967921 519999297 /nfs/dbraw/zinc/99/92/97/519999297.db2.gz UUHQVEPEEZNHFI-UHFFFAOYSA-N 1 0 359.430 2.951 20 5 FFBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000600008541 519999390 /nfs/dbraw/zinc/99/93/90/519999390.db2.gz OFACJJAHHKRLMY-NSHDSACASA-N 1 0 370.247 2.819 20 5 FFBDRO CC[N@@H+]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2CC2)CC1 ZINC000597407168 520006890 /nfs/dbraw/zinc/00/68/90/520006890.db2.gz DUAUXFNYRKLFAD-UHFFFAOYSA-N 1 0 370.457 2.795 20 5 FFBDRO CC[N@@H+]1CCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2CC2CC2)C[C@@H]1C ZINC000597408009 520007804 /nfs/dbraw/zinc/00/78/04/520007804.db2.gz IOTCSFWQPWEVRW-AWEZNQCLSA-N 1 0 370.457 2.794 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)c1 ZINC000591764817 520028454 /nfs/dbraw/zinc/02/84/54/520028454.db2.gz ZBFHCDPQOZXJKC-TYNCELHUSA-N 1 0 371.224 2.605 20 5 FFBDRO CC(C)n1ncc2c1C[C@H]([NH2+]Cc1cc3c(cc1[N+](=O)[O-])OCCO3)CC2 ZINC000616484881 520035603 /nfs/dbraw/zinc/03/56/03/520035603.db2.gz WSNNQLRXUYMDOW-OAHLLOKOSA-N 1 0 372.425 2.791 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]Cc2ccc3cccnc3c2)cc1 ZINC000612591617 520039565 /nfs/dbraw/zinc/03/95/65/520039565.db2.gz FPOAXSPJJPLAGS-UHFFFAOYSA-N 1 0 371.418 2.707 20 5 FFBDRO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CC[NH2+]C2(CCCCC2)C1 ZINC000594628781 520061206 /nfs/dbraw/zinc/06/12/06/520061206.db2.gz KUWOUXRKPPJZPR-UHFFFAOYSA-N 1 0 358.442 2.917 20 5 FFBDRO Nc1nc(N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c2c([nH+]1)CCCC2 ZINC000591917440 520086396 /nfs/dbraw/zinc/08/63/96/520086396.db2.gz NKUFOWLIDNDIMP-UHFFFAOYSA-N 1 0 369.425 2.724 20 5 FFBDRO COC(=O)COc1ccc(C[N@@H+]2CCCC(F)(F)CC2)cc1[N+](=O)[O-] ZINC000600188330 520108377 /nfs/dbraw/zinc/10/83/77/520108377.db2.gz NVSALJHXDQVPRZ-UHFFFAOYSA-N 1 0 358.341 2.768 20 5 FFBDRO Cc1ccc(CC2C[NH+](C[C@H](O)COc3ccccc3[N+](=O)[O-])C2)cc1 ZINC000594733622 520121573 /nfs/dbraw/zinc/12/15/73/520121573.db2.gz ZYDPQJGPLUBJGF-SFHVURJKSA-N 1 0 356.422 2.817 20 5 FFBDRO C[C@]1(CO)C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@@]1(C)CO ZINC000600203503 520122519 /nfs/dbraw/zinc/12/25/19/520122519.db2.gz KETPGJWVZCCTEZ-KDURUIRLSA-N 1 0 360.410 2.668 20 5 FFBDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000608854602 520145224 /nfs/dbraw/zinc/14/52/24/520145224.db2.gz PDLDIRASNZLGGU-NSHDSACASA-N 1 0 352.410 2.556 20 5 FFBDRO O=C(CC[N@H+]1CCc2ccc(O)cc2CC1)Nc1ccccc1[N+](=O)[O-] ZINC000608866692 520149142 /nfs/dbraw/zinc/14/91/42/520149142.db2.gz RNLBEOZGYGBINK-UHFFFAOYSA-N 1 0 355.394 2.730 20 5 FFBDRO O=C([C@@H]1CCc2nc[nH]c2C1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000597723645 520197361 /nfs/dbraw/zinc/19/73/61/520197361.db2.gz MDJIZNAOWZUZBK-CABCVRRESA-N 1 0 354.410 2.829 20 5 FFBDRO COC(=O)c1cc(-c2nc(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)no2)cc([N+](=O)[O-])c1 ZINC000612955137 520237339 /nfs/dbraw/zinc/23/73/39/520237339.db2.gz WGRRVJRAPDWPHA-FTNCPSPGSA-N 1 0 372.381 2.772 20 5 FFBDRO CC(C)[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C1(CO)CC=CC1 ZINC000592177029 520248291 /nfs/dbraw/zinc/24/82/91/520248291.db2.gz GIYCVIJKKDWQNU-GOSISDBHSA-N 1 0 361.442 2.866 20 5 FFBDRO CN(CCC[N@H+](C)Cc1ccncc1)c1nc2sccn2c1[N+](=O)[O-] ZINC000603402421 520249630 /nfs/dbraw/zinc/24/96/30/520249630.db2.gz ROCMZSVRWVKHMN-UHFFFAOYSA-N 1 0 360.443 2.657 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC1(S(C)(=O)=O)CCCC1 ZINC000595052303 520270421 /nfs/dbraw/zinc/27/04/21/520270421.db2.gz WYJLPPVMZOOFSK-LBPRGKRZSA-N 1 0 356.444 2.611 20 5 FFBDRO Cn1ccnc1[C@H](N[C@@H]1CC[N@@H+](C(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000595056501 520272353 /nfs/dbraw/zinc/27/23/53/520272353.db2.gz KAFKUOFDGUBJCL-NVXWUHKLSA-N 1 0 357.458 2.880 20 5 FFBDRO O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000600472723 520278875 /nfs/dbraw/zinc/27/88/75/520278875.db2.gz OWTCZYKQBKZPCM-QGZVFWFLSA-N 1 0 369.425 2.527 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000597859793 520286887 /nfs/dbraw/zinc/28/68/87/520286887.db2.gz YEHGDCGCULPVAX-NSHDSACASA-N 1 0 370.247 2.960 20 5 FFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC000595095192 520291362 /nfs/dbraw/zinc/29/13/62/520291362.db2.gz GLYWICATEKLMCD-QXAKKESOSA-N 1 0 357.454 2.815 20 5 FFBDRO C[NH+](C)C1(CNC(=O)NCCOc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000609467710 520322236 /nfs/dbraw/zinc/32/22/36/520322236.db2.gz WAWQOZCDGMPVJK-UHFFFAOYSA-N 1 0 364.446 2.537 20 5 FFBDRO C[C@H](Nc1ccc(C(=O)N(C)CCC[NH3+])cc1[N+](=O)[O-])c1ccccn1 ZINC000592298338 520323477 /nfs/dbraw/zinc/32/34/77/520323477.db2.gz HSAZFFLBBSQDNC-ZDUSSCGKSA-N 1 0 357.414 2.584 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N[C@H]3CCC[NH2+]CC3)cc2[N+](=O)[O-])C1 ZINC000592330560 520339116 /nfs/dbraw/zinc/33/91/16/520339116.db2.gz RXWJJVZLWLCGSY-ZBFHGGJFSA-N 1 0 360.458 2.703 20 5 FFBDRO C[C@H]1CCCN(c2ccc(C(=O)N[C@@H]3CCC[NH2+]CC3)cc2[N+](=O)[O-])C1 ZINC000592330555 520339371 /nfs/dbraw/zinc/33/93/71/520339371.db2.gz RXWJJVZLWLCGSY-GOEBONIOSA-N 1 0 360.458 2.703 20 5 FFBDRO COc1cc(C[NH2+]CCc2cn3c(cccc3C)n2)c([N+](=O)[O-])cc1O ZINC000592380719 520359339 /nfs/dbraw/zinc/35/93/39/520359339.db2.gz YSJDJLHCMIFKEQ-UHFFFAOYSA-N 1 0 356.382 2.597 20 5 FFBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000595226648 520360440 /nfs/dbraw/zinc/36/04/40/520360440.db2.gz XOGYRJLOEBKJPC-AUUYWEPGSA-N 1 0 370.453 2.999 20 5 FFBDRO C[C@@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000609583478 520366254 /nfs/dbraw/zinc/36/62/54/520366254.db2.gz KQVQFTJYTFFNNX-NEPJUHHUSA-N 1 0 369.849 2.862 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c1 ZINC000595256951 520374823 /nfs/dbraw/zinc/37/48/23/520374823.db2.gz YBWYTCLXQWGRIQ-NVXWUHKLSA-N 1 0 373.384 2.618 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000595255697 520375159 /nfs/dbraw/zinc/37/51/59/520375159.db2.gz ACFFYLUBBDUWJS-QZTJIDSGSA-N 1 0 357.385 2.918 20 5 FFBDRO Cc1c(CC(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)cccc1[N+](=O)[O-] ZINC000595257401 520376318 /nfs/dbraw/zinc/37/63/18/520376318.db2.gz KCFGVLQDPSQUME-SFHVURJKSA-N 1 0 355.394 2.745 20 5 FFBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000595269703 520380047 /nfs/dbraw/zinc/38/00/47/520380047.db2.gz QVSAOZRBTIGWFD-QZTJIDSGSA-N 1 0 357.385 2.538 20 5 FFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000595269349 520380385 /nfs/dbraw/zinc/38/03/85/520380385.db2.gz PARVXXSUCYYXBT-QZTJIDSGSA-N 1 0 357.385 2.538 20 5 FFBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000592433370 520388160 /nfs/dbraw/zinc/38/81/60/520388160.db2.gz DGHHORYRLJWDHZ-STQMWFEESA-N 1 0 363.389 2.995 20 5 FFBDRO CCC1([NH+]2CCOCC2)CCN(C(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000600682244 520395339 /nfs/dbraw/zinc/39/53/39/520395339.db2.gz IIAXEKSDCGKKIB-UHFFFAOYSA-N 1 0 361.442 2.620 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCOc2ccccc2C1 ZINC000603909364 520400027 /nfs/dbraw/zinc/40/00/27/520400027.db2.gz SYLQVGINTCGMLT-UHFFFAOYSA-N 1 0 371.393 2.827 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC000592503025 520423815 /nfs/dbraw/zinc/42/38/15/520423815.db2.gz ZAWFQTKHDXLLEL-UHFFFAOYSA-N 1 0 369.421 2.541 20 5 FFBDRO COc1ccc(CNC(=O)NCC2([NH+](C)C)CCCCC2)cc1[N+](=O)[O-] ZINC000604082295 520445679 /nfs/dbraw/zinc/44/56/79/520445679.db2.gz RRVNDVJZXJXDJY-UHFFFAOYSA-N 1 0 364.446 2.667 20 5 FFBDRO O=C(CC[NH2+]C[C@@H]1CCN1C1CCCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000600751342 520447848 /nfs/dbraw/zinc/44/78/48/520447848.db2.gz PWSINWWHRBKPGE-INIZCTEOSA-N 1 0 360.458 2.920 20 5 FFBDRO CC[C@@H](C[NH+]1CCCC1)Nc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000609840025 520452650 /nfs/dbraw/zinc/45/26/50/520452650.db2.gz ZIWKQOMZWLVSGB-HNNXBMFYSA-N 1 0 371.441 2.846 20 5 FFBDRO CC1(C)C[C@@H]([N@@H+]2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)CO1 ZINC000595433117 520468382 /nfs/dbraw/zinc/46/83/82/520468382.db2.gz NWSAUMRAVPVKEE-CQSZACIVSA-N 1 0 359.430 2.551 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H](CO)[C@@H](C)c1ccccc1 ZINC000613389782 520479530 /nfs/dbraw/zinc/47/95/30/520479530.db2.gz QROVPFFKIJODOP-KBXCAEBGSA-N 1 0 357.410 2.596 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N[C@H]3CCC[N@H+](C)C3)cc2[N+](=O)[O-])C1 ZINC000604197931 520482415 /nfs/dbraw/zinc/48/24/15/520482415.db2.gz BTIWOZKUGOMFDK-ZBFHGGJFSA-N 1 0 360.458 2.655 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N[C@H]3CCC[N@H+](C)C3)cc2[N+](=O)[O-])CC1 ZINC000604198251 520483909 /nfs/dbraw/zinc/48/39/09/520483909.db2.gz DUUHUTNHUIFPFG-INIZCTEOSA-N 1 0 360.458 2.655 20 5 FFBDRO C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000598195618 520486317 /nfs/dbraw/zinc/48/63/17/520486317.db2.gz PRQWSXNOSRQUGZ-HXUWFJFHSA-N 1 0 367.449 2.913 20 5 FFBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000595465022 520488913 /nfs/dbraw/zinc/48/89/13/520488913.db2.gz LOJDFURNZRGLCW-QGZVFWFLSA-N 1 0 360.458 2.559 20 5 FFBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N(CC[NH+]1CCCC1)c1ccccc1 ZINC000610051616 520516838 /nfs/dbraw/zinc/51/68/38/520516838.db2.gz ZGWYUXKFNSHPEK-UHFFFAOYSA-N 1 0 371.441 2.619 20 5 FFBDRO CC(C)(C)OC(=O)CC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000595546097 520543305 /nfs/dbraw/zinc/54/33/05/520543305.db2.gz HVASYWHEZTWNFY-UHFFFAOYSA-N 1 0 350.415 2.965 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C[C@@H]1C ZINC000610125934 520550187 /nfs/dbraw/zinc/55/01/87/520550187.db2.gz ZCPQSERXIKGIHJ-HOCLYGCPSA-N 1 0 358.442 2.881 20 5 FFBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000595572626 520561559 /nfs/dbraw/zinc/56/15/59/520561559.db2.gz FUISRAWVLCYVME-MRXNPFEDSA-N 1 0 360.458 2.844 20 5 FFBDRO Cc1n[nH]c(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c1[N+](=O)[O-] ZINC000610200270 520576626 /nfs/dbraw/zinc/57/66/26/520576626.db2.gz WOBIBWXIASNXCM-XHDPSFHLSA-N 1 0 363.443 2.501 20 5 FFBDRO CCN(C(=O)Cn1c2ccccc2c(=O)c2ccccc21)[C@@H]1CC[N@H+](C)C1 ZINC000617559005 520582606 /nfs/dbraw/zinc/58/26/06/520582606.db2.gz QAKMFWKFWNPCLE-MRXNPFEDSA-N 1 0 363.461 2.707 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2nc(CN(CCOCCO)C3CCC3)co2)cc1 ZINC000595598740 520583249 /nfs/dbraw/zinc/58/32/49/520583249.db2.gz VJBWHCYXJXJHJS-UHFFFAOYSA-N 1 0 361.398 2.613 20 5 FFBDRO CC1(C)C[C@@H]([N@H+](CCn2cc([N+](=O)[O-])ccc2=O)Cc2ccccc2)CO1 ZINC000595639372 520614348 /nfs/dbraw/zinc/61/43/48/520614348.db2.gz WVMHJUFSGUUXHT-GOSISDBHSA-N 1 0 371.437 2.826 20 5 FFBDRO CC(C)c1ccc(C[NH2+][C@@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)cc1[N+](=O)[O-] ZINC000610272447 520615587 /nfs/dbraw/zinc/61/55/87/520615587.db2.gz SSUPUXXMRMZZDA-SUMWQHHRSA-N 1 0 371.441 2.735 20 5 FFBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@]2(Cc3ccc(Cl)cc3)CCCOC2)n1 ZINC000595670726 520636953 /nfs/dbraw/zinc/63/69/53/520636953.db2.gz KQFLYPAURFSVGH-KRWDZBQOSA-N 1 0 364.833 2.826 20 5 FFBDRO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000601122228 520646803 /nfs/dbraw/zinc/64/68/03/520646803.db2.gz VPXAZYBFNHJTIN-UHFFFAOYSA-N 1 0 361.368 2.802 20 5 FFBDRO CC(C)(C)OC(=O)CCC[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000610395589 520663649 /nfs/dbraw/zinc/66/36/49/520663649.db2.gz KUZJBJRWPZEAGF-UHFFFAOYSA-N 1 0 352.387 2.578 20 5 FFBDRO O=[N+]([O-])c1sccc1NCc1ccc(CN2CCS(=O)CC2)cc1 ZINC000601178060 520674115 /nfs/dbraw/zinc/67/41/15/520674115.db2.gz JTVKLUBBKGTKNJ-UHFFFAOYSA-N 1 0 365.480 2.833 20 5 FFBDRO C[C@@H](NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000610422075 520676107 /nfs/dbraw/zinc/67/61/07/520676107.db2.gz UQBGJHKCKVKUQR-OXQOHEQNSA-N 1 0 355.438 2.882 20 5 FFBDRO O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N1CC([NH+]2CCCC2)C1 ZINC000601193199 520680509 /nfs/dbraw/zinc/68/05/09/520680509.db2.gz BEZUKEACQKZZOR-UHFFFAOYSA-N 1 0 366.290 2.928 20 5 FFBDRO O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000598561410 520707415 /nfs/dbraw/zinc/70/74/15/520707415.db2.gz QSHOKIYNWHPKGD-HNNXBMFYSA-N 1 0 368.437 2.995 20 5 FFBDRO COc1ccc(OCC[NH2+][C@H]2CCC[C@@H]2Cc2cnn(C)c2)c([N+](=O)[O-])c1 ZINC000595768218 520711091 /nfs/dbraw/zinc/71/10/91/520711091.db2.gz FSSKXLTVUGNVBS-WBVHZDCISA-N 1 0 374.441 2.717 20 5 FFBDRO COc1ccc(OCC[NH2+][C@@H]2CCC[C@@H]2Cc2cnn(C)c2)c([N+](=O)[O-])c1 ZINC000595768216 520711846 /nfs/dbraw/zinc/71/18/46/520711846.db2.gz FSSKXLTVUGNVBS-NVXWUHKLSA-N 1 0 374.441 2.717 20 5 FFBDRO CC(C)[C@@H]1CN(C(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000598571219 520716024 /nfs/dbraw/zinc/71/60/24/520716024.db2.gz BXXOCQNZHVUGOI-KRWDZBQOSA-N 1 0 374.485 2.901 20 5 FFBDRO COC(=O)c1ccnc(N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000598589920 520729916 /nfs/dbraw/zinc/72/99/16/520729916.db2.gz VQQZAWLRSGNCNR-FRRDWIJNSA-N 1 0 350.419 2.555 20 5 FFBDRO COC(=O)c1ccnc(N2CCC[C@H]([NH+]3[C@@H](C)CC[C@@H]3C)C2)c1[N+](=O)[O-] ZINC000598589283 520730612 /nfs/dbraw/zinc/73/06/12/520730612.db2.gz HQCRZAVVTBZFKD-IHRRRGAJSA-N 1 0 362.430 2.618 20 5 FFBDRO CCC[N@@H+]1CC[C@H](NC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000595801034 520735506 /nfs/dbraw/zinc/73/55/06/520735506.db2.gz VPZARTFIKBNQEY-SJORKVTESA-N 1 0 360.458 2.968 20 5 FFBDRO Cc1ccc(S(=O)(=O)NC2CCC(C[NH+](C)C)CC2)c(C)c1[N+](=O)[O-] ZINC000598604922 520738078 /nfs/dbraw/zinc/73/80/78/520738078.db2.gz CMZNTVCBEGAHJJ-UHFFFAOYSA-N 1 0 369.487 2.610 20 5 FFBDRO CC(C)(C)NC(=O)C[NH+]1CCC(CNc2ccsc2[N+](=O)[O-])CC1 ZINC000610573720 520745393 /nfs/dbraw/zinc/74/53/93/520745393.db2.gz XRCOXANLPNRGEP-UHFFFAOYSA-N 1 0 354.476 2.695 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)C[C@H]1C ZINC000601355134 520751805 /nfs/dbraw/zinc/75/18/05/520751805.db2.gz KNLQFJJKOPTKFR-OLZOCXBDSA-N 1 0 373.450 2.536 20 5 FFBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH+]1CCC(c2ccon2)CC1 ZINC000595829662 520754238 /nfs/dbraw/zinc/75/42/38/520754238.db2.gz YHRKJXSDLBZXNA-UHFFFAOYSA-N 1 0 372.381 2.760 20 5 FFBDRO COC(=O)c1cc(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)n2c1CCCC2 ZINC000598634871 520754921 /nfs/dbraw/zinc/75/49/21/520754921.db2.gz URMYYZGDOMTHRW-UHFFFAOYSA-N 1 0 373.409 2.688 20 5 FFBDRO [NH3+][C@]12CCC[C@H]1CN(C(=O)c1csc(-c3ccc([N+](=O)[O-])cc3)n1)C2 ZINC000598669346 520776570 /nfs/dbraw/zinc/77/65/70/520776570.db2.gz HXIPLVCLEXRVPI-SJCJKPOMSA-N 1 0 358.423 2.672 20 5 FFBDRO [NH3+][C@]12CCC[C@@H]1CN(C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000598668634 520776682 /nfs/dbraw/zinc/77/66/82/520776682.db2.gz CLSZFICZBNMGNN-BMIGLBTASA-N 1 0 355.847 2.680 20 5 FFBDRO C[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C[C@H]1CCc2ccccc21 ZINC000595882211 520790271 /nfs/dbraw/zinc/79/02/71/520790271.db2.gz ZJNUHGMBYWTYNV-AEFFLSMTSA-N 1 0 356.422 2.996 20 5 FFBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000595910754 520815114 /nfs/dbraw/zinc/81/51/14/520815114.db2.gz RFAICJXZRABDOH-ZOCIIQOWSA-N 1 0 359.426 2.814 20 5 FFBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N(C)CC(C)(C)[NH3+])cc2[N+](=O)[O-])C1 ZINC000595944050 520834131 /nfs/dbraw/zinc/83/41/31/520834131.db2.gz JRAIXKGXJJMNHR-OKILXGFUSA-N 1 0 362.474 2.886 20 5 FFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H](C[NH3+])Cc2ccccc21 ZINC000601549390 520835294 /nfs/dbraw/zinc/83/52/94/520835294.db2.gz GBZHHKKBAWLKQO-CYBMUJFWSA-N 1 0 355.394 2.771 20 5 FFBDRO CN(CC(C)(C)[NH3+])C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000595949692 520836201 /nfs/dbraw/zinc/83/62/01/520836201.db2.gz ZYGXXIKSXXQKKI-UHFFFAOYSA-N 1 0 362.352 2.611 20 5 FFBDRO C[C@@H](Nc1ccc(C(=O)N(C)CC(C)(C)[NH3+])cc1[N+](=O)[O-])c1ccccn1 ZINC000595947602 520836337 /nfs/dbraw/zinc/83/63/37/520836337.db2.gz SHDGPKUDCZHTEA-CYBMUJFWSA-N 1 0 371.441 2.972 20 5 FFBDRO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000601555156 520838184 /nfs/dbraw/zinc/83/81/84/520838184.db2.gz WRAOXDLHDGKMQU-HZMBPMFUSA-N 1 0 368.231 2.571 20 5 FFBDRO CC(C)(C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)CC(F)(F)F ZINC000596069348 520892347 /nfs/dbraw/zinc/89/23/47/520892347.db2.gz DZEVFZMAQDLVGX-GFCCVEGCSA-N 1 0 350.337 2.903 20 5 FFBDRO Cc1cc(C(=O)N2CC[C@@H](OCC[NH+]3CCCCC3)C2)cc([N+](=O)[O-])c1 ZINC000610886906 520893808 /nfs/dbraw/zinc/89/38/08/520893808.db2.gz CPKBSPISPDQQSD-GOSISDBHSA-N 1 0 361.442 2.620 20 5 FFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000598913539 520913801 /nfs/dbraw/zinc/91/38/01/520913801.db2.gz LFZBMQADFSKJRX-CYBMUJFWSA-N 1 0 350.394 2.977 20 5 FFBDRO C[NH+](C)CCOc1ccccc1CNc1c(Cl)cncc1[N+](=O)[O-] ZINC000596118150 520923815 /nfs/dbraw/zinc/92/38/15/520923815.db2.gz QJKQPKGKEIECJK-UHFFFAOYSA-N 1 0 350.806 2.618 20 5 FFBDRO COc1cc(N2CCC([N@H+](C)CCCO)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596129234 520928398 /nfs/dbraw/zinc/92/83/98/520928398.db2.gz RIMRNFKYHNSUJA-UHFFFAOYSA-N 1 0 357.838 2.540 20 5 FFBDRO Cc1cc(N2CCC[C@H]([NH2+]C/C=C\c3ccccc3[N+](=O)[O-])C2)n(C)n1 ZINC000618197918 520929949 /nfs/dbraw/zinc/92/99/49/520929949.db2.gz XUBMYHWSPBYRFD-AFCDSYGPSA-N 1 0 355.442 2.909 20 5 FFBDRO O=[N+]([O-])c1cncc(Cl)c1N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000596168335 520948747 /nfs/dbraw/zinc/94/87/47/520948747.db2.gz QDUOJYYCEKOQGE-ZDUSSCGKSA-N 1 0 354.838 2.724 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC1(OCCO)CCC(F)(F)CC1 ZINC000598993900 520966466 /nfs/dbraw/zinc/96/64/66/520966466.db2.gz UBIGXHSONWBLAI-UHFFFAOYSA-N 1 0 358.385 2.950 20 5 FFBDRO O=c1[nH]ccc(NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000596209487 520972523 /nfs/dbraw/zinc/97/25/23/520972523.db2.gz FTPPQHSNKYVEQU-AWEZNQCLSA-N 1 0 360.439 2.725 20 5 FFBDRO C[NH+](C)[C@H](CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000593415278 520978496 /nfs/dbraw/zinc/97/84/96/520978496.db2.gz OWOGENQGRMDUQT-QGZVFWFLSA-N 1 0 363.364 2.835 20 5 FFBDRO CCOC(=O)c1ccnc(N2CC[N@H+](C)C3(CCCCC3)C2)c1[N+](=O)[O-] ZINC000596251161 520994067 /nfs/dbraw/zinc/99/40/67/520994067.db2.gz OYCDGWJKYBQUJM-UHFFFAOYSA-N 1 0 362.430 2.621 20 5 FFBDRO CC(C)C[NH2+]C1(CO)CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000596254015 520996479 /nfs/dbraw/zinc/99/64/79/520996479.db2.gz ZZHHSBGMPWXPDS-UHFFFAOYSA-N 1 0 358.442 2.720 20 5 FFBDRO O=[N+]([O-])c1cccc2c(N3CCC([N@@H+]4CCCOCC4)CC3)ccnc21 ZINC000596268977 521002059 /nfs/dbraw/zinc/00/20/59/521002059.db2.gz PBCBKVAKMYHFLI-UHFFFAOYSA-N 1 0 356.426 2.834 20 5 FFBDRO Cn1ccnc1[C@H](NC[C@@H]1CCCC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000599068655 521012860 /nfs/dbraw/zinc/01/28/60/521012860.db2.gz BNBJUDSRHMLNCF-MAUKXSAKSA-N 1 0 357.458 2.739 20 5 FFBDRO C[C@H]([NH2+]C[C@H]1CN(Cc2ccncc2)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000599087244 521023804 /nfs/dbraw/zinc/02/38/04/521023804.db2.gz GUXDHXJVCMTBBU-KXBFYZLASA-N 1 0 356.426 2.541 20 5 FFBDRO C[N@@H+]1CCN(c2nc3sccn3c2[N+](=O)[O-])[C@H](Cc2ccccc2)C1 ZINC000593503943 521035998 /nfs/dbraw/zinc/03/59/98/521035998.db2.gz NFHFQXMXXQTCEP-CQSZACIVSA-N 1 0 357.439 2.667 20 5 FFBDRO CC1(C)C[NH2+]CC[C@H](NC(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000601972143 521049484 /nfs/dbraw/zinc/04/94/84/521049484.db2.gz DNNAUCFOZNCGBR-JTQLQIEISA-N 1 0 370.247 2.865 20 5 FFBDRO C[N@H+](CC1CC1)C[C@H]1CCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611274782 521075361 /nfs/dbraw/zinc/07/53/61/521075361.db2.gz HXWFVFIULSOGOG-OAHLLOKOSA-N 1 0 361.442 2.530 20 5 FFBDRO CC[N@@H+]1CCC[C@H](CNC(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000599218811 521092572 /nfs/dbraw/zinc/09/25/72/521092572.db2.gz CNPWFABNLJESCW-LLVKDONJSA-N 1 0 370.247 2.819 20 5 FFBDRO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)c1cc([N+](=O)[O-])c[nH]1 ZINC000596485473 521094655 /nfs/dbraw/zinc/09/46/55/521094655.db2.gz JNIRVQNOWDLOLE-MRXNPFEDSA-N 1 0 368.437 2.955 20 5 FFBDRO O=C(C[N@@H+]1CCC[C@H](C[C@@H]2CCOC2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000611350126 521112816 /nfs/dbraw/zinc/11/28/16/521112816.db2.gz BRTYKDKVHLWBCO-CVEARBPZSA-N 1 0 373.453 2.623 20 5 FFBDRO CCN(C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CC[N@H+](C)C1 ZINC000596546788 521125460 /nfs/dbraw/zinc/12/54/60/521125460.db2.gz UYNCYPLZYIGYQU-CQSZACIVSA-N 1 0 354.838 2.526 20 5 FFBDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599288898 521129320 /nfs/dbraw/zinc/12/93/20/521129320.db2.gz YPLLXYPJYDFXRV-JTQLQIEISA-N 1 0 358.236 2.817 20 5 FFBDRO C[NH+](C)[C@H]1C[C@@H](NC(=O)c2c(Br)cccc2[N+](=O)[O-])C1(C)C ZINC000602169117 521182675 /nfs/dbraw/zinc/18/26/75/521182675.db2.gz DZXUJRQNWPLWIY-NEPJUHHUSA-N 1 0 370.247 2.816 20 5 FFBDRO COc1cc(C[NH2+]CC[C@H]2CCCO2)c([N+](=O)[O-])cc1OCC(F)F ZINC000611519540 521197631 /nfs/dbraw/zinc/19/76/31/521197631.db2.gz XVNLVTATVRVIKK-GFCCVEGCSA-N 1 0 360.357 2.906 20 5 FFBDRO Nc1cc(N[C@H](C[NH+]2CCCC2)c2ccccc2)cc(CO)c1[N+](=O)[O-] ZINC000611525177 521201316 /nfs/dbraw/zinc/20/13/16/521201316.db2.gz HQJYINLMQFQLOU-GOSISDBHSA-N 1 0 356.426 2.918 20 5 FFBDRO Cc1c(NC(=O)CC[N@@H+]2CCC[C@H](OC(F)F)C2)cccc1[N+](=O)[O-] ZINC000611580114 521234706 /nfs/dbraw/zinc/23/47/06/521234706.db2.gz QXSOCSATOBFDDT-LBPRGKRZSA-N 1 0 357.357 2.935 20 5 FFBDRO CCOc1cc(C(=O)N(C)CC[NH+]2CCCCC2)c([N+](=O)[O-])cc1OC ZINC000593884866 521272335 /nfs/dbraw/zinc/27/23/35/521272335.db2.gz XQKLMSLLPRLDGD-UHFFFAOYSA-N 1 0 365.430 2.560 20 5 FFBDRO CC(C)[NH2+][C@@H]1CCCN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000611697161 521285406 /nfs/dbraw/zinc/28/54/06/521285406.db2.gz QYJJQRGKRDOKKQ-GFCCVEGCSA-N 1 0 357.357 2.799 20 5 FFBDRO CCc1ccc(C(=O)N2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cc1[N+](=O)[O-] ZINC000593919653 521293274 /nfs/dbraw/zinc/29/32/74/521293274.db2.gz WMAJWWNSSXKSRB-LZLYRXPVSA-N 1 0 361.442 2.658 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000599574325 521306349 /nfs/dbraw/zinc/30/63/49/521306349.db2.gz SEYIETVNKZQIQI-HNAYVOBHSA-N 1 0 357.410 2.861 20 5 FFBDRO CC[NH+](CC)[C@H]1CCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000599614286 521332530 /nfs/dbraw/zinc/33/25/30/521332530.db2.gz FJOYGOLOPGIKCI-NSHDSACASA-N 1 0 370.247 2.914 20 5 FFBDRO CC1([NH+]2CCOCC2)CCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000599622272 521338001 /nfs/dbraw/zinc/33/80/01/521338001.db2.gz JXQKVBVFWYYDMG-UHFFFAOYSA-N 1 0 353.850 2.935 20 5 FFBDRO Cc1ccc([C@@H](C)NC(=O)Cc2cccc3c2CC[NH2+]C3)cc1[N+](=O)[O-] ZINC000602465159 521360717 /nfs/dbraw/zinc/36/07/17/521360717.db2.gz IZKNMTBDOPQMDJ-CQSZACIVSA-N 1 0 353.422 2.969 20 5 FFBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599664460 521377352 /nfs/dbraw/zinc/37/73/52/521377352.db2.gz NVPYQZDHSCTMJX-CABZTGNLSA-N 1 0 368.231 2.570 20 5 FFBDRO O=C(N[C@H]1CC[NH2+]C2(CCC2)C1)c1c(Br)cccc1[N+](=O)[O-] ZINC000602512409 521388441 /nfs/dbraw/zinc/38/84/41/521388441.db2.gz BBIDLRKCXXXQMW-JTQLQIEISA-N 1 0 368.231 2.762 20 5 FFBDRO CCOc1ccc(NC(=O)C[NH2+][C@H](C)c2cnccc2C)c([N+](=O)[O-])c1 ZINC000611939921 521400828 /nfs/dbraw/zinc/40/08/28/521400828.db2.gz WCKSNKBDGJIVKV-CYBMUJFWSA-N 1 0 358.398 2.986 20 5 FFBDRO [NH3+]C[C@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC[C@H]1C(F)(F)F ZINC000602542150 521401938 /nfs/dbraw/zinc/40/19/38/521401938.db2.gz UNUJRAYZLGTQSF-JOYOIKCWSA-N 1 0 365.739 2.848 20 5 FFBDRO O=C(CC(F)(F)F)N1CCC([NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000602543424 521404049 /nfs/dbraw/zinc/40/40/49/521404049.db2.gz IWHCYJUDTDXQTH-UHFFFAOYSA-N 1 0 359.348 2.670 20 5 FFBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2ccnc(OC3CCOCC3)c2)cc1 ZINC000602544199 521404804 /nfs/dbraw/zinc/40/48/04/521404804.db2.gz FPZUVFRTAPYINA-UHFFFAOYSA-N 1 0 357.410 2.880 20 5 FFBDRO COc1ccc([C@@H]([NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])C2CC2)cn1 ZINC000599701247 521412320 /nfs/dbraw/zinc/41/23/20/521412320.db2.gz SPIGMWUECMOOSQ-SFHVURJKSA-N 1 0 356.382 2.678 20 5 FFBDRO C[C@H](CCO)C1(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCC1 ZINC000602579538 521420840 /nfs/dbraw/zinc/42/08/40/521420840.db2.gz CEGFFSRUWJZRBE-OAHLLOKOSA-N 1 0 362.474 2.737 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCC4)CC2)cn1 ZINC000602582951 521423531 /nfs/dbraw/zinc/42/35/31/521423531.db2.gz ZFMCXPRVXPUWGE-KBAYOESNSA-N 1 0 358.442 2.506 20 5 FFBDRO CC(C)(C(=O)NCc1cccc2c1CC[NH2+]C2)c1ccc([N+](=O)[O-])cc1 ZINC000602585444 521425563 /nfs/dbraw/zinc/42/55/63/521425563.db2.gz RQBVRHOOARJRFL-UHFFFAOYSA-N 1 0 353.422 2.835 20 5 FFBDRO C[N@@H+]1CC[C@@H]2CCN(Cc3cc(Br)c([N+](=O)[O-])s3)[C@@H]2C1 ZINC000602592397 521429149 /nfs/dbraw/zinc/42/91/49/521429149.db2.gz QWUKHRIZZNYFOB-BXKDBHETSA-N 1 0 360.277 2.945 20 5 FFBDRO C[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1c(F)cncc1F ZINC000602652000 521458962 /nfs/dbraw/zinc/45/89/62/521458962.db2.gz CCOKOPYQWJLAMK-NSHDSACASA-N 1 0 363.368 2.983 20 5 FFBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594204007 521470042 /nfs/dbraw/zinc/47/00/42/521470042.db2.gz WJHNFRMIFVCGLA-SJLPKXTDSA-N 1 0 356.426 2.683 20 5 FFBDRO COCC[C@H](COC)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602667658 521470877 /nfs/dbraw/zinc/47/08/77/521470877.db2.gz RVZDNQGNFCCUIB-MRVPVSSYSA-N 1 0 353.238 2.560 20 5 FFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1CNC[C@H]1CCC[N@H+]1CCCO ZINC000602672045 521471542 /nfs/dbraw/zinc/47/15/42/521471542.db2.gz CPRYILCDMXJZOS-CQSZACIVSA-N 1 0 361.364 2.550 20 5 FFBDRO CC(C)(C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@]1(O)CCOC1 ZINC000602695104 521484259 /nfs/dbraw/zinc/48/42/59/521484259.db2.gz DOUKYOMIAFDIHT-OAHLLOKOSA-N 1 0 362.348 2.881 20 5 FFBDRO COC[C@H](CC(C)(C)C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602706322 521486808 /nfs/dbraw/zinc/48/68/08/521486808.db2.gz PUWZCUGEXXEXKS-HNNXBMFYSA-N 1 0 350.463 2.999 20 5 FFBDRO C[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12)C[NH+]1CCCC1 ZINC000599830110 521497925 /nfs/dbraw/zinc/49/79/25/521497925.db2.gz DUAOJKMYWGRAEY-ZDUSSCGKSA-N 1 0 357.414 2.996 20 5 FFBDRO C[C@@](CO)([NH2+]C[C@H]1CCN(c2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000602732079 521501801 /nfs/dbraw/zinc/50/18/01/521501801.db2.gz NJFJXHFQMQBGHY-UZLBHIALSA-N 1 0 355.438 2.918 20 5 FFBDRO CC[N@@H+]1C[C@H](C)N(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)C[C@@H]1C ZINC000597100977 521506344 /nfs/dbraw/zinc/50/63/44/521506344.db2.gz NPBKMRPNJSWBLI-UWVGGRQHSA-N 1 0 355.826 2.777 20 5 FFBDRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)Cc3cn(C)nc3[N+](=O)[O-])C2)s1 ZINC000602825563 521554730 /nfs/dbraw/zinc/55/47/30/521554730.db2.gz HAOARZIRQATBRO-AWEZNQCLSA-N 1 0 363.487 2.652 20 5 FFBDRO COc1ccc(-c2ccc(C[N@H+](C)C[C@@H]3COCCO3)o2)c([N+](=O)[O-])c1 ZINC000597204897 521573050 /nfs/dbraw/zinc/57/30/50/521573050.db2.gz GWUPICAOPWHELN-OAHLLOKOSA-N 1 0 362.382 2.711 20 5 FFBDRO COC(=O)COc1ccc(C[N@@H+]2CCC[C@@H](CCF)C2)cc1[N+](=O)[O-] ZINC000597211171 521578001 /nfs/dbraw/zinc/57/80/01/521578001.db2.gz KXGOJCBMMCUZKN-ZDUSSCGKSA-N 1 0 354.378 2.718 20 5 FFBDRO O=[N+]([O-])c1ccccc1-c1ccc(CN2CCC([N@@H+]3CC[C@H](O)C3)CC2)o1 ZINC000597235522 521588325 /nfs/dbraw/zinc/58/83/25/521588325.db2.gz IWAZPIXJTQKITK-INIZCTEOSA-N 1 0 371.437 2.886 20 5 FFBDRO COc1ccc(C[NH2+][C@H](c2ccncc2)C2(CO)CCC2)cc1[N+](=O)[O-] ZINC000597255676 521597906 /nfs/dbraw/zinc/59/79/06/521597906.db2.gz YORZPRDPEBANLV-GOSISDBHSA-N 1 0 357.410 2.992 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@@H]2CCN(c3ccccn3)C2)n1 ZINC000616007420 521600859 /nfs/dbraw/zinc/60/08/59/521600859.db2.gz SJHLQKGESNOOCW-BZUAXINKSA-N 1 0 356.430 2.539 20 5 FFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)cc1 ZINC000616013958 521603231 /nfs/dbraw/zinc/60/32/31/521603231.db2.gz JQJYVRRNTPINSZ-TZIWHRDSSA-N 1 0 369.465 2.610 20 5 FFBDRO CCNc1ccc(C(=O)N=c2ccn(C3CC[NH+](C)CC3)[nH]2)cc1[N+](=O)[O-] ZINC000490001789 561424319 /nfs/dbraw/zinc/42/43/19/561424319.db2.gz KJFGAJNZWQUODW-UHFFFAOYSA-N 1 0 372.429 2.742 20 5 FFBDRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2nccc3cc([N+](=O)[O-])ccc32)C1 ZINC001164735826 720533988 /nfs/dbraw/zinc/53/39/88/720533988.db2.gz RWHMFUFMOKNQSC-CQSZACIVSA-N 1 0 366.425 2.538 20 5 FFBDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ncc(F)cc1[N+](=O)[O-])[C@H]2C ZINC001164858698 720937082 /nfs/dbraw/zinc/93/70/82/720937082.db2.gz KHKBZRXXRMOQPD-LBPRGKRZSA-N 1 0 362.409 2.747 20 5 FFBDRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1nc(Cl)c(Cl)cc1[N+](=O)[O-] ZINC001164929988 721856243 /nfs/dbraw/zinc/85/62/43/721856243.db2.gz QZOFPNHINMOGGQ-RYUDHWBXSA-N 1 0 374.272 2.511 20 5 FFBDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000053698529 728082995 /nfs/dbraw/zinc/08/29/95/728082995.db2.gz SAYBZGLZUXZJFG-GFCCVEGCSA-N 1 0 373.450 2.523 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CCCCCO)CC2)c(C(F)(F)F)c1 ZINC000067229140 728181737 /nfs/dbraw/zinc/18/17/37/728181737.db2.gz LXQACZIKEYYLED-UHFFFAOYSA-N 1 0 361.364 2.898 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000091458992 728459940 /nfs/dbraw/zinc/45/99/40/728459940.db2.gz XVHULRCFNHMBCY-UHFFFAOYSA-N 1 0 361.364 2.994 20 5 FFBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000092627250 728469783 /nfs/dbraw/zinc/46/97/83/728469783.db2.gz ICJCTHBHEIUJJC-LLVKDONJSA-N 1 0 356.220 2.524 20 5 FFBDRO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000106868037 728512672 /nfs/dbraw/zinc/51/26/72/728512672.db2.gz LPSAQAHUIDSUTO-CYBMUJFWSA-N 1 0 351.403 2.573 20 5 FFBDRO C[NH+](C)CCC1CCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000118868297 728584829 /nfs/dbraw/zinc/58/48/29/728584829.db2.gz LCOVYFUGMABWTB-UHFFFAOYSA-N 1 0 368.865 2.850 20 5 FFBDRO C[C@H]1C[NH+](CCCCNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C[C@H](C)O1 ZINC000119107568 728588048 /nfs/dbraw/zinc/58/80/48/728588048.db2.gz PTEGVJQRUDWOHB-STQMWFEESA-N 1 0 369.849 2.867 20 5 FFBDRO Cc1ccc([C@H](CNS(=O)(=O)c2csc([N+](=O)[O-])c2)N(C)C)cc1 ZINC000119661393 728598257 /nfs/dbraw/zinc/59/82/57/728598257.db2.gz SEXOTKIMWZGCQB-AWEZNQCLSA-N 1 0 369.468 2.546 20 5 FFBDRO CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])C1 ZINC000121075421 728620224 /nfs/dbraw/zinc/62/02/24/728620224.db2.gz CROLBKTXBJNHIB-OAHLLOKOSA-N 1 0 369.487 2.564 20 5 FFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000126424600 728702050 /nfs/dbraw/zinc/70/20/50/728702050.db2.gz CHEVRPWZBPXVRT-UHFFFAOYSA-N 1 0 363.443 2.717 20 5 FFBDRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000165940040 728974679 /nfs/dbraw/zinc/97/46/79/728974679.db2.gz QDZUGFPXTCISMT-RNCFNFMXSA-N 1 0 356.220 2.605 20 5 FFBDRO O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1N1CCC[N@@H+](CCO)CC1 ZINC000171681904 729010481 /nfs/dbraw/zinc/01/04/81/729010481.db2.gz LXBFQDWASZBSRU-UHFFFAOYSA-N 1 0 367.755 2.771 20 5 FFBDRO CS[C@H]1CN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H]1[NH+](C)C ZINC000779351977 738457649 /nfs/dbraw/zinc/45/76/49/738457649.db2.gz XFJAALOPDCZVBJ-STQMWFEESA-N 1 0 358.851 2.758 20 5 FFBDRO C[NH+](C)CCN1CCC(Nc2cccc(Br)c2[N+](=O)[O-])CC1 ZINC000856723105 730350039 /nfs/dbraw/zinc/35/00/39/730350039.db2.gz HPRIUXLQGMYCMH-UHFFFAOYSA-N 1 0 371.279 2.795 20 5 FFBDRO C[N@@H+]1CCCN(CCCNc2cccc(Br)c2[N+](=O)[O-])CC1 ZINC000856727265 730350684 /nfs/dbraw/zinc/35/06/84/730350684.db2.gz ZAYSOCLVVWMEMH-UHFFFAOYSA-N 1 0 371.279 2.797 20 5 FFBDRO C[C@H](C[N@H+](C)CCOc1cccc([N+](=O)[O-])c1)NC(=O)OC(C)(C)C ZINC000860098176 730476203 /nfs/dbraw/zinc/47/62/03/730476203.db2.gz MCJRLEVQCQEEFE-CYBMUJFWSA-N 1 0 353.419 2.819 20 5 FFBDRO COCCCN(C(=O)c1cccc([N+](=O)[O-])c1Cl)C1CC[NH+](C)CC1 ZINC000861776391 730640831 /nfs/dbraw/zinc/64/08/31/730640831.db2.gz IRULYSDCRWBGRX-UHFFFAOYSA-N 1 0 369.849 2.821 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N(C)CCCC[NH+](C)C)c1 ZINC000779906136 738495972 /nfs/dbraw/zinc/49/59/72/738495972.db2.gz DIMGNIHXGJGLIP-UHFFFAOYSA-N 1 0 363.867 2.519 20 5 FFBDRO C[C@H]1C[NH+](CCCCNc2cc(F)c([N+](=O)[O-])cc2CO)C[C@H](C)O1 ZINC000865601282 730975231 /nfs/dbraw/zinc/97/52/31/730975231.db2.gz NRXGCJHSQYTYEF-STQMWFEESA-N 1 0 355.410 2.528 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC(CO)([NH2+]CC3CC3)CC2)c(C(F)F)c1 ZINC000865865560 731005355 /nfs/dbraw/zinc/00/53/55/731005355.db2.gz YUGJJDOFCKNFHQ-UHFFFAOYSA-N 1 0 355.385 2.863 20 5 FFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CCOC2(CCOCC2)C1 ZINC000866307998 731048120 /nfs/dbraw/zinc/04/81/20/731048120.db2.gz OCZFYLAWSNAGGS-CZUORRHYSA-N 1 0 352.406 2.983 20 5 FFBDRO O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000868138127 731262754 /nfs/dbraw/zinc/26/27/54/731262754.db2.gz FTPDLCWWCFHSFG-NEPJUHHUSA-N 1 0 369.219 2.716 20 5 FFBDRO CC1(C)CC[NH2+]CCN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000872295718 731750019 /nfs/dbraw/zinc/75/00/19/731750019.db2.gz XIESNDXXXWBMMV-UHFFFAOYSA-N 1 0 356.220 2.571 20 5 FFBDRO CC1([NH+]2CCCCC2)CCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000872530999 731786973 /nfs/dbraw/zinc/78/69/73/731786973.db2.gz XNEHXSSLPVOLNO-UHFFFAOYSA-N 1 0 373.500 2.685 20 5 FFBDRO COc1ccc(OC)c([C@H](O)[C@@H](C)[NH2+]Cc2csc([N+](=O)[O-])c2)c1 ZINC000873196611 731889410 /nfs/dbraw/zinc/88/94/10/731889410.db2.gz SUWBFYPSMOEIRM-QLJPJBMISA-N 1 0 352.412 2.885 20 5 FFBDRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000874837251 732105755 /nfs/dbraw/zinc/10/57/55/732105755.db2.gz KDHRYTIVDCPRMV-CHWSQXEVSA-N 1 0 357.332 2.922 20 5 FFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1CN1CC[NH+](CCCCO)CC1 ZINC000876724701 732272736 /nfs/dbraw/zinc/27/27/36/732272736.db2.gz GHLUBKOZDUNUDB-UHFFFAOYSA-N 1 0 361.364 2.504 20 5 FFBDRO [NH3+]C[C@H]1CN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CC[C@H]1C(F)(F)F ZINC000877016811 732312739 /nfs/dbraw/zinc/31/27/39/732312739.db2.gz ICNQMMUQTUUFFH-WCBMZHEXSA-N 1 0 365.739 2.848 20 5 FFBDRO O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877283343 732340301 /nfs/dbraw/zinc/34/03/01/732340301.db2.gz WDMODYBIHWKOHZ-DZGCQCFKSA-N 1 0 358.423 2.685 20 5 FFBDRO COc1cc(C[NH2+]C2CSC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000877635632 732402211 /nfs/dbraw/zinc/40/22/11/732402211.db2.gz ZZLMJRMLVFMQRI-UHFFFAOYSA-N 1 0 352.334 2.750 20 5 FFBDRO O=C1NCCC12CC[NH+](Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])CC2 ZINC000877782219 732429761 /nfs/dbraw/zinc/42/97/61/732429761.db2.gz NSQYHZXEBWAKKP-UHFFFAOYSA-N 1 0 357.332 2.716 20 5 FFBDRO C[C@](CO)([NH2+]C[C@@H](O)c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000879270715 732676428 /nfs/dbraw/zinc/67/64/28/732676428.db2.gz AGKKDPZQTSSDGE-IAGOWNOFSA-N 1 0 350.802 2.779 20 5 FFBDRO O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000881469184 733058766 /nfs/dbraw/zinc/05/87/66/733058766.db2.gz KBXLYYNROFIANB-CQSZACIVSA-N 1 0 367.833 2.621 20 5 FFBDRO C[NH+](C)CCCNC(=S)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000782386915 738716777 /nfs/dbraw/zinc/71/67/77/738716777.db2.gz KNEONTRVPXGWMW-UHFFFAOYSA-N 1 0 364.393 2.529 20 5 FFBDRO CCC1([NH+]2CCC2)CCN(c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)CC1 ZINC000884717062 733553726 /nfs/dbraw/zinc/55/37/26/733553726.db2.gz QTJQLENFNXTVLA-UHFFFAOYSA-N 1 0 361.368 2.802 20 5 FFBDRO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886118835 733751684 /nfs/dbraw/zinc/75/16/84/733751684.db2.gz QMLUNAXISUUWEY-OLZOCXBDSA-N 1 0 350.419 2.725 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1CC[C@@]2(CO[C@@H](C)C2)O1 ZINC000886333289 733774984 /nfs/dbraw/zinc/77/49/84/733774984.db2.gz GEJGBQZSCJYHOY-QANKJYHBSA-N 1 0 350.415 2.810 20 5 FFBDRO COC[C@@H]([NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1)[C@H]1CCCOC1 ZINC000886359275 733776808 /nfs/dbraw/zinc/77/68/08/733776808.db2.gz AEBAJSJNCOLILZ-GXTWGEPZSA-N 1 0 373.247 2.889 20 5 FFBDRO COC[C@H]([NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1)[C@@H]1CCCOC1 ZINC000886359277 733776948 /nfs/dbraw/zinc/77/69/48/733776948.db2.gz AEBAJSJNCOLILZ-OCCSQVGLSA-N 1 0 373.247 2.889 20 5 FFBDRO C[NH+]1CCC2(CCN2C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000889224746 734154276 /nfs/dbraw/zinc/15/42/76/734154276.db2.gz USIFBJJVTYLZGH-UHFFFAOYSA-N 1 0 367.833 2.714 20 5 FFBDRO CN(CC(C)(C)C[NH+](C)C)C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000890882296 734350641 /nfs/dbraw/zinc/35/06/41/734350641.db2.gz JHYMDQFAFFSUGF-UHFFFAOYSA-N 1 0 359.373 2.856 20 5 FFBDRO O=[N+]([O-])c1ccc(CN2CCC[N@H+](C[C@H]3CCCO3)CC2)cc1Cl ZINC000783527020 738811798 /nfs/dbraw/zinc/81/17/98/738811798.db2.gz JRSODMUOHXONOB-OAHLLOKOSA-N 1 0 353.850 2.935 20 5 FFBDRO CNC(=O)COc1cccc(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)c1 ZINC000783596402 738818126 /nfs/dbraw/zinc/81/81/26/738818126.db2.gz JXCXKTMUGUZSIA-UHFFFAOYSA-N 1 0 363.801 2.663 20 5 FFBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CCC[C@@H]1C ZINC000783920733 738849313 /nfs/dbraw/zinc/84/93/13/738849313.db2.gz OFRDRCCWNXIIQA-ZDUSSCGKSA-N 1 0 367.471 2.547 20 5 FFBDRO C[NH+]1C[C@@]2(C)CN(c3ncc(Br)cc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000894798479 734919176 /nfs/dbraw/zinc/91/91/76/734919176.db2.gz WWMAJOSFMZTLDT-KBPBESRZSA-N 1 0 355.236 2.530 20 5 FFBDRO CC(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C[C@@H]2C1 ZINC000895576986 735026302 /nfs/dbraw/zinc/02/63/02/735026302.db2.gz TVJIULSWAMVXFK-BETUJISGSA-N 1 0 357.332 2.524 20 5 FFBDRO COc1cc(C[NH2+]CC2(C3(O)CCC3)CCC2)c([N+](=O)[O-])cc1OC ZINC000895869959 735067815 /nfs/dbraw/zinc/06/78/15/735067815.db2.gz KTWCNGZHHLRNLF-UHFFFAOYSA-N 1 0 350.415 2.787 20 5 FFBDRO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000740868166 735093866 /nfs/dbraw/zinc/09/38/66/735093866.db2.gz SXGOCPGENMWKSX-GFCCVEGCSA-N 1 0 353.394 2.877 20 5 FFBDRO CCCN(CC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000741949813 735171646 /nfs/dbraw/zinc/17/16/46/735171646.db2.gz BDRJCAPYINVNNA-UHFFFAOYSA-N 1 0 352.391 2.534 20 5 FFBDRO Cc1c(Br)c(N2CCC23CC[NH+](C)CC3)ncc1[N+](=O)[O-] ZINC000897134177 735196510 /nfs/dbraw/zinc/19/65/10/735196510.db2.gz ZWPHZQGFJJVQTH-UHFFFAOYSA-N 1 0 355.236 2.735 20 5 FFBDRO O=[N+]([O-])c1sc(C[NH2+]CCOC2CCOCC2)cc1Br ZINC000897190937 735205432 /nfs/dbraw/zinc/20/54/32/735205432.db2.gz FEFGKMGKSXLZJQ-UHFFFAOYSA-N 1 0 365.249 2.704 20 5 FFBDRO CC(C)OCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000747621546 735575121 /nfs/dbraw/zinc/57/51/21/735575121.db2.gz WHEOUQSKENIXMP-UHFFFAOYSA-N 1 0 352.391 2.804 20 5 FFBDRO CC[NH+]1CCC(NC(=O)COc2cc(C)c([N+](=O)[O-])cc2Cl)CC1 ZINC000902395441 735941816 /nfs/dbraw/zinc/94/18/16/735941816.db2.gz BHJJPHICBBLPCA-UHFFFAOYSA-N 1 0 355.822 2.536 20 5 FFBDRO COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000903450813 736096323 /nfs/dbraw/zinc/09/63/23/736096323.db2.gz OCNLUFMHIYPIPI-CBBWQLFWSA-N 1 0 350.419 2.596 20 5 FFBDRO [NH3+][C@@H]1CN(Cc2ccc(Br)c([N+](=O)[O-])c2)C[C@H]1C(F)(F)F ZINC000903513682 736104801 /nfs/dbraw/zinc/10/48/01/736104801.db2.gz SQSNRIIWEANCIY-PSASIEDQSA-N 1 0 368.153 2.679 20 5 FFBDRO COC(=O)C[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000754535990 736169341 /nfs/dbraw/zinc/16/93/41/736169341.db2.gz BGSNMZZBMRFVCV-XPTSAGLGSA-N 1 0 369.805 2.507 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H]2CCSC3(CCC3)C2)cc1 ZINC000905602829 736367506 /nfs/dbraw/zinc/36/75/06/736367506.db2.gz WDUMAYDGELHQNP-ZDUSSCGKSA-N 1 0 370.496 2.776 20 5 FFBDRO C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000905604614 736367829 /nfs/dbraw/zinc/36/78/29/736367829.db2.gz ZUTAGVBJRZPNMC-ZDUSSCGKSA-N 1 0 357.439 2.897 20 5 FFBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2cccc([N+](=O)[O-])c2Br)C[C@@H]1C ZINC000758905890 736530874 /nfs/dbraw/zinc/53/08/74/736530874.db2.gz XSWFEOQEBHEQQW-QWRGUYRKSA-N 1 0 370.247 2.912 20 5 FFBDRO Nc1c(Cl)cc(C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000906759708 736540865 /nfs/dbraw/zinc/54/08/65/736540865.db2.gz HVAOKLDPANSLHI-ZDUSSCGKSA-N 1 0 366.849 2.921 20 5 FFBDRO CC[N@@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)[C@@H](C)C1 ZINC000910282410 737052352 /nfs/dbraw/zinc/05/23/52/737052352.db2.gz PCAQPEOYBYQZQO-NSHDSACASA-N 1 0 370.247 2.914 20 5 FFBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)C(F)(F)C1CC[NH2+]CC1 ZINC000912151128 737270479 /nfs/dbraw/zinc/27/04/79/737270479.db2.gz UAEDTQKAJRQATG-UHFFFAOYSA-N 1 0 361.776 2.842 20 5 FFBDRO C[N@@H+]1CCC[C@@H]2CN(CC(=O)Nc3cc(Cl)ccc3[N+](=O)[O-])CC[C@H]21 ZINC000766982469 737281622 /nfs/dbraw/zinc/28/16/22/737281622.db2.gz FOAXGAVVTZMTKH-IUODEOHRSA-N 1 0 366.849 2.603 20 5 FFBDRO C[N@@H+]1CCC[C@H]2CN(CC(=O)Nc3cc(Cl)ccc3[N+](=O)[O-])CC[C@H]21 ZINC000766982470 737281762 /nfs/dbraw/zinc/28/17/62/737281762.db2.gz FOAXGAVVTZMTKH-SWLSCSKDSA-N 1 0 366.849 2.603 20 5 FFBDRO C[C@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000912805141 737342116 /nfs/dbraw/zinc/34/21/16/737342116.db2.gz JELSKUKJEFYCFA-CJNGLKHVSA-N 1 0 351.422 2.855 20 5 FFBDRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC000913813842 737452437 /nfs/dbraw/zinc/45/24/37/737452437.db2.gz HUFFSBSOGDVGMF-HOTGVXAUSA-N 1 0 351.834 2.876 20 5 FFBDRO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1csc([N+](=O)[O-])c1)CC(C)C ZINC000768849761 737466667 /nfs/dbraw/zinc/46/66/67/737466667.db2.gz PKPYTOXFIKABFI-GFCCVEGCSA-N 1 0 363.505 2.691 20 5 FFBDRO COC[C@@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)c(F)c1 ZINC000775385210 738089801 /nfs/dbraw/zinc/08/98/01/738089801.db2.gz JWKKXXOWYTWXMW-IAGOWNOFSA-N 1 0 352.337 2.884 20 5 FFBDRO CSC1(CNC(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)CC[NH+](C)CC1 ZINC000922530071 738161828 /nfs/dbraw/zinc/16/18/28/738161828.db2.gz SGUWJZQQJCENDW-CYBMUJFWSA-N 1 0 366.487 2.782 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CC2(N3CCSCC3)CCCC2)cc1 ZINC000776274388 738176708 /nfs/dbraw/zinc/17/67/08/738176708.db2.gz DALHNVKFRJULJI-KRWDZBQOSA-N 1 0 365.499 2.579 20 5 FFBDRO CC(C)c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)S3(=O)=O)cc1[N+](=O)[O-] ZINC000922851622 738209682 /nfs/dbraw/zinc/20/96/82/738209682.db2.gz GEYPICRHBQWLDH-GOOCMWNKSA-N 1 0 352.456 2.916 20 5 FFBDRO O=C(CC1([NH+]2CCOCC2)CCCC1)OCc1csc([N+](=O)[O-])c1 ZINC000786098303 739024288 /nfs/dbraw/zinc/02/42/88/739024288.db2.gz WYODLGMCTCJYSK-UHFFFAOYSA-N 1 0 354.428 2.735 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000930882469 739177387 /nfs/dbraw/zinc/17/73/87/739177387.db2.gz LIWPNZKIHOQQQN-GJZGRUSLSA-N 1 0 350.444 2.605 20 5 FFBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000931038949 739202942 /nfs/dbraw/zinc/20/29/42/739202942.db2.gz OSLTZXHFBVHVKM-MFKMUULPSA-N 1 0 365.821 2.823 20 5 FFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC000931625859 739299529 /nfs/dbraw/zinc/29/95/29/739299529.db2.gz JPCMIKQXCOWWGC-BZNIZROVSA-N 1 0 352.822 2.972 20 5 FFBDRO Nc1c(C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cc(Cl)c(F)c1[N+](=O)[O-] ZINC000932238049 739413150 /nfs/dbraw/zinc/41/31/50/739413150.db2.gz KWLYSEXSRURXAP-SNVBAGLBSA-N 1 0 370.812 2.670 20 5 FFBDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000790721492 739488277 /nfs/dbraw/zinc/48/82/77/739488277.db2.gz VAJIAGUZSLVSCY-LLVKDONJSA-N 1 0 357.813 2.730 20 5 FFBDRO O=C(C[NH2+]C1([C@@H]2CCCCO2)CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000933378220 739612824 /nfs/dbraw/zinc/61/28/24/739612824.db2.gz LGJGBTNYENGBGW-AWEZNQCLSA-N 1 0 353.806 2.878 20 5 FFBDRO CSC1(CNC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC[NH+](C)CC1 ZINC000936042675 740049821 /nfs/dbraw/zinc/04/98/21/740049821.db2.gz QZKYGFOQFUNHQX-HOTGVXAUSA-N 1 0 363.483 2.642 20 5 FFBDRO COC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000796009433 740089760 /nfs/dbraw/zinc/08/97/60/740089760.db2.gz CXIGYIQTSUZJQV-GHMZBOCLSA-N 1 0 357.357 2.830 20 5 FFBDRO COC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000796009437 740089816 /nfs/dbraw/zinc/08/98/16/740089816.db2.gz CXIGYIQTSUZJQV-MNOVXSKESA-N 1 0 357.357 2.830 20 5 FFBDRO CN(C)C(=O)OC[C@@H]1CCCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000796550322 740152743 /nfs/dbraw/zinc/15/27/43/740152743.db2.gz WPYPKYLDNZELRB-AWEZNQCLSA-N 1 0 351.403 2.526 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=S)NCC1CC[NH+](C)CC1 ZINC000798373936 740326149 /nfs/dbraw/zinc/32/61/49/740326149.db2.gz WISXDTXTKWXAMR-UHFFFAOYSA-N 1 0 352.460 2.622 20 5 FFBDRO CC[N@@H+](Cc1csc(C)c1)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000957713084 740553445 /nfs/dbraw/zinc/55/34/45/740553445.db2.gz LBIHONROMSPLSJ-IAGOWNOFSA-N 1 0 365.499 2.782 20 5 FFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@@H]2O)cc1Cl ZINC000802659526 740715967 /nfs/dbraw/zinc/71/59/67/740715967.db2.gz IMWZXMVHTZIKTD-XJKSGUPXSA-N 1 0 354.834 2.906 20 5 FFBDRO CC(C)[C@H](C(=O)OCc1ccc(Br)c([N+](=O)[O-])c1)[NH+](C)C ZINC000803496413 740804617 /nfs/dbraw/zinc/80/46/17/740804617.db2.gz CTAZRWOKDULJQC-CYBMUJFWSA-N 1 0 359.220 2.987 20 5 FFBDRO C[C@H]1C[C@H](N2CCOCC2)CN1c1cc(Br)ccc1[N+](=O)[O-] ZINC000804809126 740906360 /nfs/dbraw/zinc/90/63/60/740906360.db2.gz PALNAEMATFINLZ-AAEUAGOBSA-N 1 0 370.247 2.657 20 5 FFBDRO CN(C)CC[N@H+](C)CCCN(C)c1ccc([N+](=O)[O-])cc1Br ZINC000808133666 741191385 /nfs/dbraw/zinc/19/13/85/741191385.db2.gz RPBGYZJNKBDNID-UHFFFAOYSA-N 1 0 373.295 2.677 20 5 FFBDRO CC[NH+](CC)CCS(=O)(=O)Oc1ccc([N+](=O)[O-])c2ccccc12 ZINC000810056628 741378112 /nfs/dbraw/zinc/37/81/12/741378112.db2.gz YXIWPMWJVVIBFK-UHFFFAOYSA-N 1 0 352.412 2.798 20 5 FFBDRO COc1cc(COC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000810704895 741442954 /nfs/dbraw/zinc/44/29/54/741442954.db2.gz WWWSGPLBEVBAQY-KRWDZBQOSA-N 1 0 354.378 2.859 20 5 FFBDRO CC(C)[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1(CO)CCC1 ZINC000815250242 741916979 /nfs/dbraw/zinc/91/69/79/741916979.db2.gz RHMHQWKPWOWCIS-MRXNPFEDSA-N 1 0 369.849 2.964 20 5 FFBDRO C[C@H]([NH2+]CCCn1cc(Br)cn1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815627351 741948975 /nfs/dbraw/zinc/94/89/75/741948975.db2.gz YYSLMHVQAHLION-JTQLQIEISA-N 1 0 368.235 2.877 20 5 FFBDRO Cc1cc(Cl)ccc1C[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001001396807 742118207 /nfs/dbraw/zinc/11/82/07/742118207.db2.gz SFOYSEMTRIKONE-IAGOWNOFSA-N 1 0 365.861 2.642 20 5 FFBDRO [NH3+]C[C@H](NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])C1CCCCC1 ZINC000818555138 742278720 /nfs/dbraw/zinc/27/87/20/742278720.db2.gz MVXBLOZLIFIZIW-AWEZNQCLSA-N 1 0 357.813 2.954 20 5 FFBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])C[C@@H]21 ZINC000818574623 742279983 /nfs/dbraw/zinc/27/99/83/742279983.db2.gz KMVPUKJGYUHTHP-NURSFMCSSA-N 1 0 355.797 2.516 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCc2nc(C(F)(F)F)cs2)c1 ZINC000819124466 742340621 /nfs/dbraw/zinc/34/06/21/742340621.db2.gz WHARKNZSLRKXMG-LLVKDONJSA-N 1 0 361.345 2.936 20 5 FFBDRO C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819341595 742378464 /nfs/dbraw/zinc/37/84/64/742378464.db2.gz JXPIPYOYCBYNQV-YWPYICTPSA-N 1 0 353.419 2.520 20 5 FFBDRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000820502950 742511949 /nfs/dbraw/zinc/51/19/49/742511949.db2.gz DCYLURQUBBDCEG-GZMMTYOYSA-N 1 0 374.210 2.661 20 5 FFBDRO C[NH+](C)CCn1nccc1NC(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC000820714562 742539385 /nfs/dbraw/zinc/53/93/85/742539385.db2.gz CQZJRUZRPXKCLG-UHFFFAOYSA-N 1 0 365.821 2.578 20 5 FFBDRO C[NH+](C)[C@H](CNc1ccc(-c2nn[nH]n2)c([N+](=O)[O-])c1)c1cccs1 ZINC000821581008 742643558 /nfs/dbraw/zinc/64/35/58/742643558.db2.gz ATXYIUPHXGQAHU-CYBMUJFWSA-N 1 0 359.415 2.551 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)CCc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000824651144 743122305 /nfs/dbraw/zinc/12/23/05/743122305.db2.gz BMOYRPJPUCFHHN-CYBMUJFWSA-N 1 0 351.422 2.903 20 5 FFBDRO CC[C@@H](C[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)NC(=O)OC(C)(C)C ZINC000824661361 743124045 /nfs/dbraw/zinc/12/40/45/743124045.db2.gz WZNJHJKCCBIPCK-ZDUSSCGKSA-N 1 0 353.419 2.996 20 5 FFBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)CC[C@@H]21 ZINC000827254392 743542268 /nfs/dbraw/zinc/54/22/68/743542268.db2.gz PCVXXYFWNPEZTG-YGRLFVJLSA-N 1 0 357.332 2.780 20 5 FFBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(Br)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000827311621 743553528 /nfs/dbraw/zinc/55/35/28/743553528.db2.gz QJMKOMBBXAGOKU-MFKMUULPSA-N 1 0 368.231 2.524 20 5 FFBDRO Cc1ccc(NC[C@@H]2CCC[N@@H+]2CCCO)c([N+](=O)[O-])c1Br ZINC000828422059 745065010 /nfs/dbraw/zinc/06/50/10/745065010.db2.gz NZVUJBYAXUPBBY-LBPRGKRZSA-N 1 0 372.263 2.924 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(F)c(C(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)c1F ZINC000830000571 745291357 /nfs/dbraw/zinc/29/13/57/745291357.db2.gz ZXYUEHULRXLTCB-GFCCVEGCSA-N 1 0 355.385 2.889 20 5 FFBDRO CO[C@@H]1[C@H](C)[C@H]([NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1(C)C ZINC000831393304 745523889 /nfs/dbraw/zinc/52/38/89/745523889.db2.gz MSAQUCJXZLNRPQ-HPEXNQPKSA-N 1 0 353.394 2.712 20 5 FFBDRO CO[C@H]1C[C@@H]([NH2+]CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C12CCC2 ZINC000839191035 746798415 /nfs/dbraw/zinc/79/84/15/746798415.db2.gz NHSXUJVWDXTUFB-KGLIPLIRSA-N 1 0 353.806 2.734 20 5 FFBDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1Br ZINC000839612983 746871648 /nfs/dbraw/zinc/87/16/48/746871648.db2.gz TZYYRCYZOCBAOR-MNOVXSKESA-N 1 0 357.204 2.789 20 5 FFBDRO C[C@@H]([NH2+]CC(C)(C)[C@@H]1COCC12OCCO2)c1ccc([N+](=O)[O-])cc1 ZINC000840803552 747188038 /nfs/dbraw/zinc/18/80/38/747188038.db2.gz RLGMYKWCCNUJGP-CJNGLKHVSA-N 1 0 350.415 2.661 20 5 FFBDRO CC[C@@H]1CN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000841161478 747284491 /nfs/dbraw/zinc/28/44/91/747284491.db2.gz LMUCYHBVOCXNSW-BXKDBHETSA-N 1 0 371.235 2.948 20 5 FFBDRO C[C@@H]1CCN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000841162354 747285018 /nfs/dbraw/zinc/28/50/18/747285018.db2.gz VHDNLLPPPGVLNX-ZJUUUORDSA-N 1 0 371.235 2.806 20 5 FFBDRO [NH3+][C@@H]1CCC[C@H](NC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000841162238 747285078 /nfs/dbraw/zinc/28/50/78/747285078.db2.gz RKRBPUGGNVWKHQ-BDAKNGLRSA-N 1 0 357.208 2.749 20 5 FFBDRO O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000841162359 747285486 /nfs/dbraw/zinc/28/54/86/747285486.db2.gz VLLBOVGHBCFBIR-JOYOIKCWSA-N 1 0 369.219 2.573 20 5 FFBDRO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000841233595 747302689 /nfs/dbraw/zinc/30/26/89/747302689.db2.gz ZDNJHQAKFXBMMB-ABAIWWIYSA-N 1 0 368.821 2.608 20 5 FFBDRO C[NH+](C)CC(C)(C)NS(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000841530296 747386440 /nfs/dbraw/zinc/38/64/40/747386440.db2.gz SGRCSWNYZCWGDJ-UHFFFAOYSA-N 1 0 370.258 2.520 20 5 FFBDRO C[C@H](CNC(=O)N[C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F)[NH+](C)C ZINC000841749641 747448315 /nfs/dbraw/zinc/44/83/15/747448315.db2.gz POVWTLNTMHBTDZ-PRHODGIISA-N 1 0 366.315 2.587 20 5 FFBDRO O=C(CN1CCCC[C@H]1[C@H]1CCC[NH2+]1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000842473645 747612507 /nfs/dbraw/zinc/61/25/07/747612507.db2.gz SQWBZSHURKDTPJ-CABCVRRESA-N 1 0 366.849 2.793 20 5 FFBDRO C[NH2+]C[C@H]1CCCN([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000843347352 747814187 /nfs/dbraw/zinc/81/41/87/747814187.db2.gz UVLOFQQSZPNXEH-VXGBXAGGSA-N 1 0 354.838 2.507 20 5 FFBDRO C[C@H]1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)[C@@H]1C[NH3+] ZINC000843347296 747814391 /nfs/dbraw/zinc/81/43/91/747814391.db2.gz TUXIBRLKVLOKMC-QPUJVOFHSA-N 1 0 374.210 2.696 20 5 FFBDRO CC[NH2+]CC1CCN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000843352101 747815390 /nfs/dbraw/zinc/81/53/90/747815390.db2.gz FCIWFAWVKZPTPX-UHFFFAOYSA-N 1 0 354.838 2.508 20 5 FFBDRO CC[NH2+]CC1CCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000843354919 747816090 /nfs/dbraw/zinc/81/60/90/747816090.db2.gz LJFCRGQPBGCWDA-UHFFFAOYSA-N 1 0 357.813 2.778 20 5 FFBDRO O=C(CN1CCC[C@H]([C@H]2CCC[NH2+]2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000843363372 747817670 /nfs/dbraw/zinc/81/76/70/747817670.db2.gz YQIHKAZMZAYKOF-SWLSCSKDSA-N 1 0 366.849 2.651 20 5 FFBDRO C[N@@H+]1CCCC[C@@H]1CN1CCN(c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000845488555 748268148 /nfs/dbraw/zinc/26/81/48/748268148.db2.gz VFTSHTOQQIVJPS-CYBMUJFWSA-N 1 0 370.856 2.994 20 5 FFBDRO C[NH+](C)C1CCC(NC(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000848593225 748969640 /nfs/dbraw/zinc/96/96/40/748969640.db2.gz BPFUWJQAZALSDI-UHFFFAOYSA-N 1 0 357.357 2.555 20 5 FFBDRO CC(C)[C@H]([NH3+])CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000852918108 749972304 /nfs/dbraw/zinc/97/23/04/749972304.db2.gz WDTFWCNJQSRCNO-SNVBAGLBSA-N 1 0 362.199 2.600 20 5 FFBDRO C[NH+](C)CCC[C@H]1CN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCO1 ZINC000854184138 750258144 /nfs/dbraw/zinc/25/81/44/750258144.db2.gz JSRHRHQGGBMMMD-ZDUSSCGKSA-N 1 0 370.837 2.823 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000854334009 750284169 /nfs/dbraw/zinc/28/41/69/750284169.db2.gz YXLWHOYXPZSXFD-CQSZACIVSA-N 1 0 367.833 2.575 20 5 FFBDRO C[NH+]1CCC2(CCN(C(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])C2)CC1 ZINC000854498052 750320426 /nfs/dbraw/zinc/32/04/26/750320426.db2.gz IXNDUUYTIBHSPJ-UHFFFAOYSA-N 1 0 369.824 2.874 20 5 FFBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](C[C@@H](O)c3cccc(Cl)c3)C2)nc1 ZINC000072665080 845558430 /nfs/dbraw/zinc/55/84/30/845558430.db2.gz VNGRFLOADNRNHV-GOEBONIOSA-N 1 0 362.817 2.863 20 5 FFBDRO C[C@H]1CN(c2cccc(F)c2)CC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000795186695 1013047095 /nfs/dbraw/zinc/04/70/95/1013047095.db2.gz BLRLFXSKRJDIIL-LIRRHRJNSA-N 1 0 359.401 2.978 20 5 FFBDRO CCOC(=O)c1cnc(NCCC[N@@H+]2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC001167750629 971697423 /nfs/dbraw/zinc/69/74/23/971697423.db2.gz ARWAPYQPUZPNPK-CYBMUJFWSA-N 1 0 350.419 2.843 20 5 FFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000120098663 958861290 /nfs/dbraw/zinc/86/12/90/958861290.db2.gz SYRLSGNTKNCUSP-DYVFJYSZSA-N 1 0 357.385 2.984 20 5 FFBDRO O=[N+]([O-])c1ccccc1-c1ccc(-n2ccnc2[C@@H]2CCC[NH2+]C2)nn1 ZINC001167060483 959251608 /nfs/dbraw/zinc/25/16/08/959251608.db2.gz SFICGQJLUJLVMM-CYBMUJFWSA-N 1 0 350.382 2.705 20 5 FFBDRO Cc1cc(N2CCc3nccn3CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001167181152 960367654 /nfs/dbraw/zinc/36/76/54/960367654.db2.gz WJBBJRYZTCJHLT-UHFFFAOYSA-N 1 0 350.382 2.619 20 5 FFBDRO C[C@@H]1C[C@H](NC(=O)Cc2ccccc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000134940030 960554549 /nfs/dbraw/zinc/55/45/49/960554549.db2.gz FTDYDGGAQKIUSB-QAPCUYQASA-N 1 0 353.422 2.917 20 5 FFBDRO Cc1c(N(Cc2ccccc2)C2(C[NH3+])COC2)ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001167371080 962457259 /nfs/dbraw/zinc/45/72/59/962457259.db2.gz NMKUJWVEKYAWGA-UHFFFAOYSA-N 1 0 372.381 2.546 20 5 FFBDRO CCCCNC(=O)[C@@H]1CCC[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000050901677 963625001 /nfs/dbraw/zinc/62/50/01/963625001.db2.gz CODVXQRPHGCTAW-OAHLLOKOSA-N 1 0 359.430 2.530 20 5 FFBDRO C[C@@H](NC(=O)NCc1cccc2c1CC[NH2+]C2)c1cccc([N+](=O)[O-])c1 ZINC000891382345 963758332 /nfs/dbraw/zinc/75/83/32/963758332.db2.gz MLRXNCBKKNDOHG-CYBMUJFWSA-N 1 0 354.410 2.801 20 5 FFBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891586033 964518390 /nfs/dbraw/zinc/51/83/90/964518390.db2.gz HDBZBYLZMIWDTO-BJWYYQGGSA-N 1 0 360.458 2.747 20 5 FFBDRO C[C@@H](NC(=O)NC[C@H]1Cc2ccccc2C[NH2+]1)c1ccccc1[N+](=O)[O-] ZINC000891751227 965014846 /nfs/dbraw/zinc/01/48/46/965014846.db2.gz RCIJWLIQVSAIKM-CZUORRHYSA-N 1 0 354.410 2.670 20 5 FFBDRO CCC1(C)CN(C(=O)Nc2cc(N3CC[NH+](C)CC3)ccc2[N+](=O)[O-])C1 ZINC000934040837 965539671 /nfs/dbraw/zinc/53/96/71/965539671.db2.gz QRXGUHXISIVEGE-UHFFFAOYSA-N 1 0 361.446 2.610 20 5 FFBDRO NC(=O)[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccc(F)cc1 ZINC000134880681 965836190 /nfs/dbraw/zinc/83/61/90/965836190.db2.gz MIQKOUACYMOFDB-GOSISDBHSA-N 1 0 372.400 2.519 20 5 FFBDRO COc1ccc(C[NH+]2CCC(CNc3c([N+](=O)[O-])cnn3C)CC2)cc1 ZINC000892098563 965972222 /nfs/dbraw/zinc/97/22/22/965972222.db2.gz HPQWDJVANGXTGM-UHFFFAOYSA-N 1 0 359.430 2.661 20 5 FFBDRO C[N@H+](CCCF)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC001176280445 1013663756 /nfs/dbraw/zinc/66/37/56/1013663756.db2.gz BUQYMTAGUQAKEE-UHFFFAOYSA-N 1 0 352.147 2.991 20 5 FFBDRO Cc1cc(C(=O)N2CCC[C@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)c(N)c([N+](=O)[O-])c1 ZINC000729523264 967621556 /nfs/dbraw/zinc/62/15/56/967621556.db2.gz LEJBPDGEZSHGPL-ZNMIVQPWSA-N 1 0 360.458 2.963 20 5 FFBDRO CCC1([NH+]2CCC2)CCN(c2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])CC1 ZINC000895231174 968525345 /nfs/dbraw/zinc/52/53/45/968525345.db2.gz KWJUGLSHBQMEOL-UHFFFAOYSA-N 1 0 370.453 2.901 20 5 FFBDRO C[C@H](Nc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1)[C@@H]1C[N@H+](C)CCN1C ZINC000895246130 968758416 /nfs/dbraw/zinc/75/84/16/968758416.db2.gz LRGZWYRJFHRBQU-GUYCJALGSA-N 1 0 373.432 2.842 20 5 FFBDRO C[NH+](C)CCN(Cc1ccccc1F)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000065893742 969134041 /nfs/dbraw/zinc/13/40/41/969134041.db2.gz WJBCSDJLUZVIBT-UHFFFAOYSA-N 1 0 360.389 2.520 20 5 FFBDRO C[NH+](C)CCc1ccccc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000782940205 969998905 /nfs/dbraw/zinc/99/89/05/969998905.db2.gz SGTRQUHKWHRKRL-UHFFFAOYSA-N 1 0 358.354 2.859 20 5 FFBDRO COc1c(O)ccc(C[NH2+]C[C@H]2CCN2Cc2ccccc2)c1[N+](=O)[O-] ZINC000895469737 970654231 /nfs/dbraw/zinc/65/42/31/970654231.db2.gz RBVIQHCEXLZMJC-MRXNPFEDSA-N 1 0 357.410 2.673 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)nc1-c1ccccc1 ZINC000897220652 973458565 /nfs/dbraw/zinc/45/85/65/973458565.db2.gz CWTIHFYUWAOSCH-DLBZAZTESA-N 1 0 368.437 2.692 20 5 FFBDRO Cc1cc(C[NH+](C)C)ccc1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000909613959 974319684 /nfs/dbraw/zinc/31/96/84/974319684.db2.gz MCXDFPFJNJPBBL-UHFFFAOYSA-N 1 0 357.366 2.946 20 5 FFBDRO CC[NH+]1CCN(c2cc(N(C)C(=O)CCC(F)F)cc([N+](=O)[O-])c2)CC1 ZINC000876227176 1014186399 /nfs/dbraw/zinc/18/63/99/1014186399.db2.gz BBYKQPUVPLEGDU-UHFFFAOYSA-N 1 0 370.400 2.745 20 5 FFBDRO CN(C)C(=O)OC[C@@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000796547705 1014244283 /nfs/dbraw/zinc/24/42/83/1014244283.db2.gz LOTAOXFDWZESFC-AWEZNQCLSA-N 1 0 366.374 2.556 20 5 FFBDRO Cn1ccnc1[C@H](N[C@@H]1Cc2ccccc2[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000898392937 976414436 /nfs/dbraw/zinc/41/44/36/976414436.db2.gz ZBSUSYPDAYEUFD-GUDVDZBRSA-N 1 0 364.405 2.666 20 5 FFBDRO C[NH+](C)CCCOc1ccc(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000107279965 976640193 /nfs/dbraw/zinc/64/01/93/976640193.db2.gz LTRFPCXBHNHASA-UHFFFAOYSA-N 1 0 358.398 2.760 20 5 FFBDRO COC(=O)C[C@@H]1CCCC[N@@H+]1Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000728899643 976900746 /nfs/dbraw/zinc/90/07/46/976900746.db2.gz KBFHPULGAAOZPR-KRWDZBQOSA-N 1 0 358.398 2.833 20 5 FFBDRO O=C(OCCn1cc([N+](=O)[O-])cn1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000842343978 977365865 /nfs/dbraw/zinc/36/58/65/977365865.db2.gz VOQVBHMKAYBRQE-UHFFFAOYSA-N 1 0 358.398 2.634 20 5 FFBDRO CC[C@H](C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)N1CCc2ccccc2C1 ZINC000876916557 1014419709 /nfs/dbraw/zinc/41/97/09/1014419709.db2.gz UWJRXQFZEAKRCS-JLAWEPINSA-N 1 0 369.469 2.921 20 5 FFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@H]3CCc4ccccc4-n4ccnc43)C2)c1 ZINC000877644091 1014659072 /nfs/dbraw/zinc/65/90/72/1014659072.db2.gz QKCFVCIVDUOSKG-DQPZFDDXSA-N 1 0 364.409 2.958 20 5 FFBDRO O=C(NC[C@@H]1CCC[NH2+]C1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000130167787 981193607 /nfs/dbraw/zinc/19/36/07/981193607.db2.gz MZTSQHCBPWMTAM-MRXNPFEDSA-N 1 0 368.437 2.936 20 5 FFBDRO CC[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)CC1 ZINC000110007099 981370087 /nfs/dbraw/zinc/37/00/87/981370087.db2.gz VJUNMPBTZRKJHG-UHFFFAOYSA-N 1 0 374.485 2.999 20 5 FFBDRO O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912923495 984145455 /nfs/dbraw/zinc/14/54/55/984145455.db2.gz FHDVZQAZGUQGNU-MRXNPFEDSA-N 1 0 358.442 2.505 20 5 FFBDRO Cc1c(C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000127164950 1015087366 /nfs/dbraw/zinc/08/73/66/1015087366.db2.gz LCMXCKVDVKTIIA-ZDUSSCGKSA-N 1 0 364.402 2.662 20 5 FFBDRO Cc1c(C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000127165182 1015087650 /nfs/dbraw/zinc/08/76/50/1015087650.db2.gz LCMXCKVDVKTIIA-CYBMUJFWSA-N 1 0 364.402 2.662 20 5 FFBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878615872 1015133547 /nfs/dbraw/zinc/13/35/47/1015133547.db2.gz QVHWSUDSWOYAMJ-ZFWWWQNUSA-N 1 0 357.414 2.703 20 5 FFBDRO C[C@@H]1CN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)CC[N@@H+](C2CC2)C1 ZINC000878658205 1015154053 /nfs/dbraw/zinc/15/40/53/1015154053.db2.gz VCTWGSDXYFYEIC-CYBMUJFWSA-N 1 0 357.414 2.561 20 5 FFBDRO Cc1cc(Br)c(Cl)cc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001233895101 986733600 /nfs/dbraw/zinc/73/36/00/986733600.db2.gz JRCQNALEHZXOAL-SNVBAGLBSA-N 1 0 365.675 2.774 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ncn(CN3CCC(C[NH+]4CCCC4)CC3)n2)cc1 ZINC000151820661 986880109 /nfs/dbraw/zinc/88/01/09/986880109.db2.gz QUMCLMAZSXLKRJ-UHFFFAOYSA-N 1 0 370.457 2.619 20 5 FFBDRO Cc1c([N+](=O)[O-])cc(C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000915297298 988395329 /nfs/dbraw/zinc/39/53/29/988395329.db2.gz BTKLAYIHWXVVEZ-VXGBXAGGSA-N 1 0 364.402 2.804 20 5 FFBDRO O=C(c1cc2ccccc2c2cccnc12)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000673514233 988433263 /nfs/dbraw/zinc/43/32/63/988433263.db2.gz LVZDMHZMZZYRKR-DLBZAZTESA-N 1 0 361.445 2.669 20 5 FFBDRO CN(C)c1cc[nH+]c(CNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000922477757 988628557 /nfs/dbraw/zinc/62/85/57/988628557.db2.gz DZEZPEFSFRXBGV-UHFFFAOYSA-N 1 0 366.425 2.746 20 5 FFBDRO CCc1ccccc1C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC[C@@H]2C1 ZINC000946589386 988765620 /nfs/dbraw/zinc/76/56/20/988765620.db2.gz WQCSBFMPUUECDL-IYWMVGAKSA-N 1 0 371.481 2.585 20 5 FFBDRO CN(C(=O)C[N@@H+]1CCC[C@H]1[C@@H](O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000879244861 1015435640 /nfs/dbraw/zinc/43/56/40/1015435640.db2.gz UBUWDCXREMWAQX-ICSRJNTNSA-N 1 0 369.421 2.756 20 5 FFBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)C[NH+]1CCCC1 ZINC000133448433 989466843 /nfs/dbraw/zinc/46/68/43/989466843.db2.gz UBPGDHFXCAGXDN-OAHLLOKOSA-N 1 0 360.458 2.657 20 5 FFBDRO CC(C)[NH+]1CCN(CCC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000901160696 989536709 /nfs/dbraw/zinc/53/67/09/989536709.db2.gz IUAKYGUMNPLJLG-UHFFFAOYSA-N 1 0 374.485 2.502 20 5 FFBDRO Cc1ccc([C@H](O)C[NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000130674761 990709239 /nfs/dbraw/zinc/70/92/39/990709239.db2.gz YUIDTYAUVHMGNX-RDTXWAMCSA-N 1 0 357.410 2.944 20 5 FFBDRO COc1cc(C[NH2+][C@H]2C[C@@](CO)(c3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000923010675 990790789 /nfs/dbraw/zinc/79/07/89/990790789.db2.gz YFMTVPKTEBTIRP-MOBUCQHHSA-N 1 0 372.421 2.794 20 5 FFBDRO Cc1cc(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)c(N)c([N+](=O)[O-])c1 ZINC000068513858 991457105 /nfs/dbraw/zinc/45/71/05/991457105.db2.gz KNRHTVWMTGIWLA-UHFFFAOYSA-N 1 0 368.437 2.664 20 5 FFBDRO COc1ccc(NC(=O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c([N+](=O)[O-])c1 ZINC000180456700 991497811 /nfs/dbraw/zinc/49/78/11/991497811.db2.gz FTQAZSXUGFIQSZ-LLVKDONJSA-N 1 0 374.353 2.801 20 5 FFBDRO NC(=O)Nc1ccc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000131028875 992515874 /nfs/dbraw/zinc/51/58/74/992515874.db2.gz GEZNUZUROLWOIJ-UHFFFAOYSA-N 1 0 369.425 2.844 20 5 FFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](O)CC2(CCOCC2)C1 ZINC000880585545 1015880949 /nfs/dbraw/zinc/88/09/49/1015880949.db2.gz IKGBDHDHJJMVMT-QGZVFWFLSA-N 1 0 364.442 2.745 20 5 FFBDRO C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc(N2CCCCC2=O)cc1 ZINC000810126244 994706662 /nfs/dbraw/zinc/70/66/62/994706662.db2.gz DQHZPHIWEHCYMY-AWEZNQCLSA-N 1 0 357.414 2.659 20 5 FFBDRO O=C(O[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000810842139 994949500 /nfs/dbraw/zinc/94/95/00/994949500.db2.gz SSPORWHEYPVCOI-CZUORRHYSA-N 1 0 356.382 2.564 20 5 FFBDRO COc1nc(C)nc(-n2c(-c3ccccc3)cnc2[C@H](C)[NH3+])c1[N+](=O)[O-] ZINC001170679845 995461032 /nfs/dbraw/zinc/46/10/32/995461032.db2.gz KKWZSVLMQGWOLU-JTQLQIEISA-N 1 0 354.370 2.574 20 5 FFBDRO CCOc1cc(NC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000888833093 1015959046 /nfs/dbraw/zinc/95/90/46/1015959046.db2.gz VLIKMHDAGUREIX-AWEZNQCLSA-N 1 0 362.430 2.943 20 5 FFBDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000823988559 996772996 /nfs/dbraw/zinc/77/29/96/996772996.db2.gz WUWQGIFWHKRKHJ-INIZCTEOSA-N 1 0 369.425 2.915 20 5 FFBDRO Cc1cc(NC(=O)Cc2cccc([N+](=O)[O-])c2)ccc1N1CC[NH+](C)CC1 ZINC001116122635 1032138024 /nfs/dbraw/zinc/13/80/24/1032138024.db2.gz CEUSXYQQNABKRU-UHFFFAOYSA-N 1 0 368.437 2.836 20 5 FFBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000825124334 997223050 /nfs/dbraw/zinc/22/30/50/997223050.db2.gz NQWZFYFMVFLMPV-IIDMSEBBSA-N 1 0 363.458 2.503 20 5 FFBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)CC[C@@H]21 ZINC000827277681 1016123893 /nfs/dbraw/zinc/12/38/93/1016123893.db2.gz OFLVQJLQUYSQLA-QRWLVFNGSA-N 1 0 361.445 2.848 20 5 FFBDRO COC(=O)c1ncc([N+](=O)[O-])cc1-n1cc(C[C@@H](C)[NH3+])c2ccc(C)cc21 ZINC001171168220 998403886 /nfs/dbraw/zinc/40/38/86/998403886.db2.gz PZAJBLVGZSIIBY-GFCCVEGCSA-N 1 0 368.393 2.918 20 5 FFBDRO C[NH+](C)[C@H]1C[C@H](NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C12CCC2 ZINC001149205746 998669584 /nfs/dbraw/zinc/66/95/84/998669584.db2.gz NEDVKGCLHWZDJG-STQMWFEESA-N 1 0 355.797 2.990 20 5 FFBDRO C[C@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000823678279 999069097 /nfs/dbraw/zinc/06/90/97/999069097.db2.gz DSXLEZNGICDSJV-TZMCWYRMSA-N 1 0 363.414 2.516 20 5 FFBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@]1(CO)CCCN(Cc2ccccc2)C1 ZINC000733898731 999127372 /nfs/dbraw/zinc/12/73/72/999127372.db2.gz TXLCVWCILQDROA-FQEVSTJZSA-N 1 0 355.438 2.712 20 5 FFBDRO Cc1ccc(NC(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)cc1[N+](=O)[O-] ZINC000734262558 999257439 /nfs/dbraw/zinc/25/74/39/999257439.db2.gz LSIWQTLBWFAFMT-INIZCTEOSA-N 1 0 362.430 2.668 20 5 FFBDRO CC(C)[N@H+](C)CC1CCN(Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000738088088 999616358 /nfs/dbraw/zinc/61/63/58/999616358.db2.gz AQJQSCIZAGTOQJ-UHFFFAOYSA-N 1 0 372.473 2.863 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2ncn(CN3CCC[N@@H+](C4CCCC4)CC3)n2)c1 ZINC000738270048 999623893 /nfs/dbraw/zinc/62/38/93/999623893.db2.gz OPXQHTYXSXCDTR-UHFFFAOYSA-N 1 0 370.457 2.761 20 5 FFBDRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000738526782 999626657 /nfs/dbraw/zinc/62/66/57/999626657.db2.gz OXZXLFPYJONCDW-UHFFFAOYSA-N 1 0 357.410 2.694 20 5 FFBDRO CN(C(=O)Cc1cccc([N+](=O)[O-])c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000741930793 999749073 /nfs/dbraw/zinc/74/90/73/999749073.db2.gz XMOKWYIAYXZOQO-UHFFFAOYSA-N 1 0 357.410 2.741 20 5 FFBDRO O=[N+]([O-])c1cn(CN2CCC([NH+]3CCCCC3)CC2)nc1-c1ccncc1 ZINC000742146852 999759598 /nfs/dbraw/zinc/75/95/98/999759598.db2.gz PCBTZMQVQIECFW-UHFFFAOYSA-N 1 0 370.457 2.761 20 5 FFBDRO COc1cc(CC[NH2+]C[C@@H](O)c2ccc(C)cc2)c([N+](=O)[O-])cc1OC ZINC000743255470 999809347 /nfs/dbraw/zinc/80/93/47/999809347.db2.gz HEHWGTUIQHCVJM-QGZVFWFLSA-N 1 0 360.410 2.786 20 5 FFBDRO CCOc1ccc(C(=O)OC[C@@H]2C[N@H+](CC(C)C)CCO2)cc1[N+](=O)[O-] ZINC000804013431 1016363980 /nfs/dbraw/zinc/36/39/80/1016363980.db2.gz KEEWKRDVXIFCSY-HNNXBMFYSA-N 1 0 366.414 2.507 20 5 FFBDRO CCOc1ccc(C(=O)OC[C@H]2C[N@H+](CC(C)C)CCO2)cc1[N+](=O)[O-] ZINC000804013433 1016364218 /nfs/dbraw/zinc/36/42/18/1016364218.db2.gz KEEWKRDVXIFCSY-OAHLLOKOSA-N 1 0 366.414 2.507 20 5 FFBDRO CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]([NH2+][C@@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@@H]2C1 ZINC001168965060 1000013331 /nfs/dbraw/zinc/01/33/31/1000013331.db2.gz XPMQAGBCWOINFC-RBZJEDDUSA-N 1 0 353.463 2.667 20 5 FFBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]C2CCN(Cc3ccc(F)cc3F)CC2)C1 ZINC001168997325 1000014221 /nfs/dbraw/zinc/01/42/21/1000014221.db2.gz YSXDQVHOQPRCAA-GUYCJALGSA-N 1 0 353.413 2.964 20 5 FFBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]C2CCN(Cc3ccc(F)c(F)c3)CC2)C1 ZINC001168997242 1000014312 /nfs/dbraw/zinc/01/43/12/1000014312.db2.gz YFECPRWTUVNKHF-BBRMVZONSA-N 1 0 353.413 2.964 20 5 FFBDRO CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169010597 1000015196 /nfs/dbraw/zinc/01/51/96/1000015196.db2.gz DYFIVXHWNHDCMB-WCVJEAGWSA-N 1 0 353.463 2.906 20 5 FFBDRO O=[N+]([O-])c1c(NCCOc2cccc3ccccc32)ncnc1C1C[NH2+]C1 ZINC001169014759 1000015598 /nfs/dbraw/zinc/01/55/98/1000015598.db2.gz ZNVUJCAKPVUJNI-UHFFFAOYSA-N 1 0 365.393 2.716 20 5 FFBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCC(Oc3cnc4ccccc4n3)CC2)C1 ZINC001169035822 1000016787 /nfs/dbraw/zinc/01/67/87/1000016787.db2.gz CNDGCIUQGSGXTN-LSDHHAIUSA-N 1 0 356.426 2.918 20 5 FFBDRO Cc1cc(N2CC[NH+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)n(-c2ccccc2)n1 ZINC001169038885 1000016967 /nfs/dbraw/zinc/01/69/67/1000016967.db2.gz LDMRZRZCQYGNNW-IEBWSBKVSA-N 1 0 369.469 2.748 20 5 FFBDRO CS(=O)(=O)c1cccc(C2CC[NH+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)c1 ZINC001169054834 1000019081 /nfs/dbraw/zinc/01/90/81/1000019081.db2.gz NTKKTSPJOGZQLA-RHSMWYFYSA-N 1 0 366.483 2.715 20 5 FFBDRO CC1(C)C[C@@H](Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C[C@](C)(C[NH3+])C1 ZINC001169145255 1000027368 /nfs/dbraw/zinc/02/73/68/1000027368.db2.gz DRKXVRFRYUMBAG-PXAZEXFGSA-N 1 0 369.487 2.954 20 5 FFBDRO COc1cccc(C(=O)N(C)c2ccc(OCC[NH+](C)C)cc2)c1[N+](=O)[O-] ZINC000766635024 1000033714 /nfs/dbraw/zinc/03/37/14/1000033714.db2.gz QRTSZDMVTOTFMN-UHFFFAOYSA-N 1 0 373.409 2.820 20 5 FFBDRO CN1CC[N@H+](CCCNc2ccc(N)cc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000804345047 1000093662 /nfs/dbraw/zinc/09/36/62/1000093662.db2.gz SVWXXVDMRSUWIS-HXUWFJFHSA-N 1 0 369.469 2.968 20 5 FFBDRO C[NH+](C)CCCC1CCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000767129305 1000100750 /nfs/dbraw/zinc/10/07/50/1000100750.db2.gz RDPHTUXRHKKAFY-UHFFFAOYSA-N 1 0 373.457 2.525 20 5 FFBDRO Cn1cc([C@H](O)C[C@@H]2CCC[N@@H+]2C/C=C\c2ccccc2[N+](=O)[O-])cn1 ZINC000770388041 1000784084 /nfs/dbraw/zinc/78/40/84/1000784084.db2.gz ULOBHHVIHUHGCP-IXWMDQSNSA-N 1 0 356.426 2.930 20 5 FFBDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2[nH]nc([N+](=O)[O-])c2Cl)C1 ZINC001146934741 1000792387 /nfs/dbraw/zinc/79/23/87/1000792387.db2.gz PCTHUVBRMCBZAE-NWDGAFQWSA-N 1 0 369.853 2.698 20 5 FFBDRO CCOC(=O)c1cnc(-n2c(CC[NH3+])cc3ccccc32)c([N+](=O)[O-])c1 ZINC001171302327 1000866716 /nfs/dbraw/zinc/86/67/16/1000866716.db2.gz WIBUHWBFSISXDV-UHFFFAOYSA-N 1 0 354.366 2.612 20 5 FFBDRO C[NH+](C)CCN(C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000746528426 1001316060 /nfs/dbraw/zinc/31/60/60/1001316060.db2.gz RQJMTHXUIYQBHK-UHFFFAOYSA-N 1 0 367.409 2.539 20 5 FFBDRO C[NH+](C)CCc1ccc(CNc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)cc1 ZINC000786077914 1001534816 /nfs/dbraw/zinc/53/48/16/1001534816.db2.gz IFKQUIYMFGWPNQ-UHFFFAOYSA-N 1 0 370.409 2.642 20 5 FFBDRO CC(C)([NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)C1CCOCC1 ZINC000786154349 1001538660 /nfs/dbraw/zinc/53/86/60/1001538660.db2.gz ZIYAWAJLFRBPFV-UHFFFAOYSA-N 1 0 363.414 2.688 20 5 FFBDRO COc1cccc([C@H](O)C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000788431365 1001799364 /nfs/dbraw/zinc/79/93/64/1001799364.db2.gz SZBQYXYIVKMGDJ-YESZJQIVSA-N 1 0 360.414 2.607 20 5 FFBDRO C[C@H]([NH2+]C[C@H](c1ccccc1)N1CCOCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788506466 1001814604 /nfs/dbraw/zinc/81/46/04/1001814604.db2.gz LQCJPVBXXLWHEQ-MGPUTAFESA-N 1 0 370.453 2.901 20 5 FFBDRO COc1ccccc1[C@@H](CO)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000773006221 1001925712 /nfs/dbraw/zinc/92/57/12/1001925712.db2.gz COVWZQFYBWBKDU-LJQANCHMSA-N 1 0 371.437 2.895 20 5 FFBDRO CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNc2ncnc3cc4ccccc4cc32)O1 ZINC001170276257 1003084756 /nfs/dbraw/zinc/08/47/56/1003084756.db2.gz BFKLHJSBGCQGLF-QWFCFKBJSA-N 1 0 352.438 2.920 20 5 FFBDRO Cc1ccc2c(ccnc2NC[C@H]2O[C@@H](C(C)C)O[C@@H]2C[NH3+])c1[N+](=O)[O-] ZINC001170273881 1003085185 /nfs/dbraw/zinc/08/51/85/1003085185.db2.gz SPNHGPYQQSQGOK-RKVPGOIHSA-N 1 0 360.414 2.588 20 5 FFBDRO Cc1ccc2c(ccnc2NC[C@H]2O[C@H](C(C)C)O[C@@H]2C[NH3+])c1[N+](=O)[O-] ZINC001170273880 1003085240 /nfs/dbraw/zinc/08/52/40/1003085240.db2.gz SPNHGPYQQSQGOK-IIDMSEBBSA-N 1 0 360.414 2.588 20 5 FFBDRO COc1ccc(C[C@H](C)[NH2+]CCOc2ccc3c(c2)OCO3)c([N+](=O)[O-])c1 ZINC001170313512 1003104486 /nfs/dbraw/zinc/10/44/86/1003104486.db2.gz NQIDTJBUINXYAC-ZDUSSCGKSA-N 1 0 374.393 2.932 20 5 FFBDRO COC(=O)c1cccnc1C[NH2+][C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170315978 1003106595 /nfs/dbraw/zinc/10/65/95/1003106595.db2.gz ZZRPSYDWBZZPEZ-LBPRGKRZSA-N 1 0 359.382 2.506 20 5 FFBDRO COc1ccc(C[C@H](C)[NH2+][C@@H](CC(C)C)C(=O)N(C)C)c([N+](=O)[O-])c1 ZINC001170326834 1003113102 /nfs/dbraw/zinc/11/31/02/1003113102.db2.gz OLNIWEJJKUTQCO-BBRMVZONSA-N 1 0 351.447 2.627 20 5 FFBDRO CCOC(=O)C1CC[NH+]([C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC001170336512 1003118064 /nfs/dbraw/zinc/11/80/64/1003118064.db2.gz YIIVYIRECQZDNK-CYBMUJFWSA-N 1 0 350.415 2.810 20 5 FFBDRO COc1ccc(C[C@@H](C)[NH+]2CCC(Oc3ccncn3)CC2)c([N+](=O)[O-])c1 ZINC001170353787 1003121616 /nfs/dbraw/zinc/12/16/16/1003121616.db2.gz DYEGWHQCQABNEN-CQSZACIVSA-N 1 0 372.425 2.868 20 5 FFBDRO COc1ccc(C[C@H](C)[N@@H+]2CCCC[C@]23CC(=O)N(C)C3)c([N+](=O)[O-])c1 ZINC001170340480 1003129561 /nfs/dbraw/zinc/12/95/61/1003129561.db2.gz MBPQAXMAKZZVGF-IFXJQAMLSA-N 1 0 361.442 2.621 20 5 FFBDRO COc1ccc(C[C@@H](C)[N@@H+]2CCC[C@]3(CCCC(=O)N3)C2)c([N+](=O)[O-])c1 ZINC001170341082 1003130423 /nfs/dbraw/zinc/13/04/23/1003130423.db2.gz NEEDQVBKEIKCFU-AUUYWEPGSA-N 1 0 361.442 2.669 20 5 FFBDRO COC(=O)[C@@H]1CCC[N@H+]([C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])[C@H]1C ZINC001170345206 1003131588 /nfs/dbraw/zinc/13/15/88/1003131588.db2.gz HYRTVJQDWWWGBM-HEHGZKQESA-N 1 0 350.415 2.808 20 5 FFBDRO COc1ccc(C[C@H](C)[N@@H+]2CCCN(c3ncccn3)CC2)c([N+](=O)[O-])c1 ZINC001170344677 1003131815 /nfs/dbraw/zinc/13/18/15/1003131815.db2.gz FCTKHVVTBTXLHY-HNNXBMFYSA-N 1 0 371.441 2.537 20 5 FFBDRO COc1ccc(C[C@H](C)[NH+]2CCC(Oc3ncccn3)CC2)c([N+](=O)[O-])c1 ZINC001170348592 1003133357 /nfs/dbraw/zinc/13/33/57/1003133357.db2.gz YWRSEHRLILKGBR-AWEZNQCLSA-N 1 0 372.425 2.868 20 5 FFBDRO CN(CC1C[NH+](C)C1)c1c2ccc(Br)cc2ncc1[N+](=O)[O-] ZINC001186963654 1003501055 /nfs/dbraw/zinc/50/10/55/1003501055.db2.gz DGIPDGMUSRCJQL-UHFFFAOYSA-N 1 0 365.231 2.903 20 5 FFBDRO COc1cc(F)c([N+](=O)[O-])c(N2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000747224364 1003922023 /nfs/dbraw/zinc/92/20/23/1003922023.db2.gz OWTPKHXLRFMKHY-UHFFFAOYSA-N 1 0 367.421 2.824 20 5 FFBDRO O=C(Cc1cccc(F)c1[N+](=O)[O-])NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000867200368 1003971901 /nfs/dbraw/zinc/97/19/01/1003971901.db2.gz KWBFFROWIRILOU-UHFFFAOYSA-N 1 0 372.400 2.704 20 5 FFBDRO C[C@]12CN(CCn3ccc([N+](=O)[O-])n3)C[C@@]1(C)C[N@H+](Cc1ccccc1)C2 ZINC001196962959 1004025491 /nfs/dbraw/zinc/02/54/91/1004025491.db2.gz WCDNDQWHMAMDPH-BGYRXZFFSA-N 1 0 369.469 2.635 20 5 FFBDRO CCN(C)C(=O)OC[C@H]1CCCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000805763465 1004138925 /nfs/dbraw/zinc/13/89/25/1004138925.db2.gz ZXZJYKFEWQVUDC-OAHLLOKOSA-N 1 0 365.430 2.916 20 5 FFBDRO COc1cc(CN2CCN(c3cc[nH+]cc3)[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC001197367807 1004198743 /nfs/dbraw/zinc/19/87/43/1004198743.db2.gz AXMFCNZLUOFXHN-CYBMUJFWSA-N 1 0 360.389 2.848 20 5 FFBDRO Cc1cccc(C[NH+]2CCN(C[C@@H](O)c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000776272824 1005338521 /nfs/dbraw/zinc/33/85/21/1005338521.db2.gz XQPXFDVLNNQAPY-HXUWFJFHSA-N 1 0 355.438 2.754 20 5 FFBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)[N@H+](C)Cc1ccccc1 ZINC000110349877 1005931316 /nfs/dbraw/zinc/93/13/16/1005931316.db2.gz XMENIEYBWBIZQU-HNNXBMFYSA-N 1 0 370.453 2.911 20 5 FFBDRO C[C@H]1[C@H](NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC[N@@H+]1Cc1ccccc1 ZINC000813824387 1006045553 /nfs/dbraw/zinc/04/55/53/1006045553.db2.gz YCAFVTAHLDVJSP-YVEFUNNKSA-N 1 0 372.400 2.709 20 5 FFBDRO CC[C@H](CN1CCOCC1)Nc1c2cccc(Cl)c2ncc1[N+](=O)[O-] ZINC001187663283 1006190073 /nfs/dbraw/zinc/19/00/73/1006190073.db2.gz UKQBWWAYIDUZPY-GFCCVEGCSA-N 1 0 364.833 2.741 20 5 FFBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CCC[C@@H](C)[C@H]2CCC[NH3+])cc1[N+](=O)[O-] ZINC000852911742 1006227876 /nfs/dbraw/zinc/22/78/76/1006227876.db2.gz BZOHAALHLKLXKW-BXUZGUMPSA-N 1 0 364.402 2.791 20 5 FFBDRO CC(C)[C@]1(C)C[C@H]1C(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001134416276 1006319993 /nfs/dbraw/zinc/31/99/93/1006319993.db2.gz TWZWBVPACVKADM-KXBFYZLASA-N 1 0 360.458 2.967 20 5 FFBDRO COc1ccccc1[C@H](O)C[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000853240691 1006345780 /nfs/dbraw/zinc/34/57/80/1006345780.db2.gz RDVCZQIEJNWQAM-SUMWQHHRSA-N 1 0 373.409 2.644 20 5 FFBDRO O=[N+]([O-])c1cn(CN2CCC[C@H]([NH+]3CCCC3)CC2)nc1-c1ccccn1 ZINC000853498159 1006415708 /nfs/dbraw/zinc/41/57/08/1006415708.db2.gz KSQANVKCMQFQAT-INIZCTEOSA-N 1 0 370.457 2.761 20 5 FFBDRO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000814853041 1006450067 /nfs/dbraw/zinc/45/00/67/1006450067.db2.gz ZIDHPRUTKGQNHM-CYBMUJFWSA-N 1 0 365.405 2.833 20 5 FFBDRO O=[N+]([O-])c1ccc(N[C@@H]2C[C@@H](N3CCOCC3)C23CCC3)c([N+](=O)[O-])c1 ZINC000853912723 1006582045 /nfs/dbraw/zinc/58/20/45/1006582045.db2.gz PCKMRVNVPIQNMN-HZPDHXFCSA-N 1 0 362.386 2.558 20 5 FFBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@]2(CCN(c3ccc([N+](=O)[O-])cn3)C2)O1 ZINC000882979987 1006584639 /nfs/dbraw/zinc/58/46/39/1006584639.db2.gz VIHLOYJCFHAXDG-JXFKEZNVSA-N 1 0 368.437 2.860 20 5 FFBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@]2(CCN(c3ccc([N+](=O)[O-])nc3)C2)O1 ZINC000882980382 1006585057 /nfs/dbraw/zinc/58/50/57/1006585057.db2.gz IGULZHSCFKCICZ-JXFKEZNVSA-N 1 0 368.437 2.860 20 5 FFBDRO COc1cccc([C@@H]2C[NH2+]CCN2C(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000883521266 1006833426 /nfs/dbraw/zinc/83/34/26/1006833426.db2.gz AMHNBBFFFYSRLP-KRWDZBQOSA-N 1 0 356.382 2.782 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000855286567 1007244477 /nfs/dbraw/zinc/24/44/77/1007244477.db2.gz TVWCPWRUHMMUEN-NSHDSACASA-N 1 0 357.813 2.919 20 5 FFBDRO CCN(C(=O)c1cc(F)cc([N+](=O)[O-])c1Br)[C@H]1CC[N@H+](C)C1 ZINC000855360377 1007302336 /nfs/dbraw/zinc/30/23/36/1007302336.db2.gz KKRZKYCNOQJPRI-JTQLQIEISA-N 1 0 374.210 2.663 20 5 FFBDRO CCCN(CC[NH+]1CCCC1)S(=O)(=O)c1ccc(CC)c([N+](=O)[O-])c1 ZINC001190135463 1007464696 /nfs/dbraw/zinc/46/46/96/1007464696.db2.gz IFOYSYFSZJFOCO-UHFFFAOYSA-N 1 0 369.487 2.654 20 5 FFBDRO C[C@H]1COCC[N@@H+]1C1CCN(c2ncc([N+](=O)[O-])c3ccccc32)CC1 ZINC000884547142 1007476408 /nfs/dbraw/zinc/47/64/08/1007476408.db2.gz CKVUGMRJYZTEAQ-AWEZNQCLSA-N 1 0 356.426 2.833 20 5 FFBDRO CC1([NH+]2CCOCC2)CCN(c2ncc([N+](=O)[O-])c3ccccc32)CC1 ZINC000884565127 1007479189 /nfs/dbraw/zinc/47/91/89/1007479189.db2.gz BEDYQUHHNZGYJC-UHFFFAOYSA-N 1 0 356.426 2.834 20 5 FFBDRO O=[N+]([O-])c1ccccc1-c1nnc(CN2CCC[C@@H](c3cc[nH]n3)C2)o1 ZINC001190436490 1007639234 /nfs/dbraw/zinc/63/92/34/1007639234.db2.gz GSGXWGIJNYYVEA-GFCCVEGCSA-N 1 0 354.370 2.748 20 5 FFBDRO CC(C)[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)CC[NH2+]1 ZINC000856484196 1007850128 /nfs/dbraw/zinc/85/01/28/1007850128.db2.gz AJZUMRILGLIUKH-SFHVURJKSA-N 1 0 374.485 2.901 20 5 FFBDRO Cc1cc(F)cc(C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000818012992 1007853607 /nfs/dbraw/zinc/85/36/07/1007853607.db2.gz WJZDQPUPYIHVLM-JKSUJKDBSA-N 1 0 361.348 2.748 20 5 FFBDRO Cc1cc(C)n(-c2ccc(C[NH2+]C[C@@H](O)c3ccc([N+](=O)[O-])cc3)cn2)n1 ZINC000818964441 1007979996 /nfs/dbraw/zinc/97/99/96/1007979996.db2.gz WEKCZYBXCSVTBC-GOSISDBHSA-N 1 0 367.409 2.616 20 5 FFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000818955224 1007993361 /nfs/dbraw/zinc/99/33/61/1007993361.db2.gz OIFXPGQYTZFZNE-ICSRJNTNSA-N 1 0 355.438 2.882 20 5 FFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]Cc2ccc(OCC(F)(F)F)nc2)c1 ZINC000818957368 1007994626 /nfs/dbraw/zinc/99/46/26/1007994626.db2.gz UYGIGPPRUSTTQU-AWEZNQCLSA-N 1 0 371.315 2.754 20 5 FFBDRO COc1ccccc1N1CC[C@H](C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000818988590 1008001815 /nfs/dbraw/zinc/00/18/15/1008001815.db2.gz CGDILBYOZUDGQM-BEFAXECRSA-N 1 0 371.437 2.753 20 5 FFBDRO COc1ccc(CCC[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000818974574 1008014457 /nfs/dbraw/zinc/01/44/57/1008014457.db2.gz AZQWMWVSQXUVDI-KRWDZBQOSA-N 1 0 360.410 2.868 20 5 FFBDRO COC(=O)Nc1ccc(CC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000819086758 1008030382 /nfs/dbraw/zinc/03/03/82/1008030382.db2.gz XCXBTXMCOYUIBH-QGZVFWFLSA-N 1 0 359.382 2.639 20 5 FFBDRO CN(C)[C@@H](C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1c(F)cccc1F ZINC000819074645 1008037362 /nfs/dbraw/zinc/03/73/62/1008037362.db2.gz XVLSKOSVQICQBS-IRXDYDNUSA-N 1 0 365.380 2.799 20 5 FFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCOc2ncccc2C(F)(F)F)c1 ZINC000819182317 1008060445 /nfs/dbraw/zinc/06/04/45/1008060445.db2.gz BMMMEJMVUNHZHU-AWEZNQCLSA-N 1 0 371.315 2.711 20 5 FFBDRO CC(=O)N1CC[C@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC000819192463 1008062957 /nfs/dbraw/zinc/06/29/57/1008062957.db2.gz YQPKEXMSTYFWBD-HKUYNNGSSA-N 1 0 355.394 2.716 20 5 FFBDRO CC(C)(C)OC(=O)N[C@@H](C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000819198283 1008064645 /nfs/dbraw/zinc/06/46/45/1008064645.db2.gz QMFZVIHRAMNGIT-HOTGVXAUSA-N 1 0 365.430 2.521 20 5 FFBDRO Cc1ccc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)c(N2CCCC2)n1 ZINC000819219082 1008075112 /nfs/dbraw/zinc/07/51/12/1008075112.db2.gz BVQBRTGSBRAHJN-SFHVURJKSA-N 1 0 356.426 2.722 20 5 FFBDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000115433113 1008188947 /nfs/dbraw/zinc/18/89/47/1008188947.db2.gz CWMJJPMYJAFVOC-MRXNPFEDSA-N 1 0 374.485 2.999 20 5 FFBDRO COCC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])cc3ccccc32)CC1 ZINC000858777522 1008422155 /nfs/dbraw/zinc/42/21/55/1008422155.db2.gz QLSNOSMWSOGCDQ-UHFFFAOYSA-N 1 0 357.410 2.589 20 5 FFBDRO CCC1([NH+]2CCOCC2)CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000858822254 1008429975 /nfs/dbraw/zinc/42/99/75/1008429975.db2.gz ZBSMTTPAIZHLEB-UHFFFAOYSA-N 1 0 364.402 2.584 20 5 FFBDRO C[C@@H]1C[C@@H](NC(=O)c2ccc(N)c([N+](=O)[O-])c2)C[N@@H+]1Cc1ccccc1 ZINC000137441317 1008610381 /nfs/dbraw/zinc/61/03/81/1008610381.db2.gz ACLZBQHOAQMMQK-CZUORRHYSA-N 1 0 354.410 2.570 20 5 FFBDRO Cc1nn(CCC(=O)O[C@H]2CC[N@H+](Cc3ccccc3)C2)c(C)c1[N+](=O)[O-] ZINC000117101278 1008762631 /nfs/dbraw/zinc/76/26/31/1008762631.db2.gz YFJISXPQTJBCSE-KRWDZBQOSA-N 1 0 372.425 2.616 20 5 FFBDRO Cc1cc([C@H]([NH3+])Cc2nc(Cc3ccc([N+](=O)[O-])cn3)no2)cc(Cl)n1 ZINC000822863738 1008801528 /nfs/dbraw/zinc/80/15/28/1008801528.db2.gz SWFYMSGBBMTTGR-CYBMUJFWSA-N 1 0 374.788 2.563 20 5 FFBDRO O=C(NCCCCCC[NH2+]CC1CCC2(CC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001178463286 1008996282 /nfs/dbraw/zinc/99/62/82/1008996282.db2.gz CWPATKBXHMJLIZ-IAGOWNOFSA-N 1 0 351.491 2.888 20 5 FFBDRO Cc1cc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(N)c([N+](=O)[O-])c1 ZINC000126435287 1009229359 /nfs/dbraw/zinc/22/93/59/1009229359.db2.gz XQYUQPDFDBSYET-BBRMVZONSA-N 1 0 358.442 2.574 20 5 FFBDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000861171994 1009290668 /nfs/dbraw/zinc/29/06/68/1009290668.db2.gz OXJASHBCTOBQGF-AWEZNQCLSA-N 1 0 371.437 2.665 20 5 FFBDRO C[NH+](C)CCN(Cc1ccccc1)C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000824008346 1009292476 /nfs/dbraw/zinc/29/24/76/1009292476.db2.gz NKXYXEPGDLFQDS-UHFFFAOYSA-N 1 0 357.414 2.773 20 5 FFBDRO NC(=O)c1ccc(CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c([N+](=O)[O-])c1 ZINC000130432224 1009336709 /nfs/dbraw/zinc/33/67/09/1009336709.db2.gz BIXRPFAWJCKNHW-UHFFFAOYSA-N 1 0 370.365 2.767 20 5 FFBDRO C[C@@H]1Cc2cc(C[N@@H+]3CC[C@H](Nc4ccc([N+](=O)[O-])cn4)C3)ccc2O1 ZINC001179937396 1009497334 /nfs/dbraw/zinc/49/73/34/1009497334.db2.gz LWLWOWHNJGRQDE-CJNGLKHVSA-N 1 0 354.410 3.000 20 5 FFBDRO C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(C[N@@H+]2CCCC3(CC3)CC2)C1=O ZINC000863330884 1010179101 /nfs/dbraw/zinc/17/91/01/1010179101.db2.gz SSPOBIUNBITDNP-SFHVURJKSA-N 1 0 372.425 2.585 20 5 FFBDRO O=C(NCC1CC[NH+](CC2CC2)CC1)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000826685329 1010297625 /nfs/dbraw/zinc/29/76/25/1010297625.db2.gz DIACCXQLHZZWOC-RBUKOAKNSA-N 1 0 357.454 2.937 20 5 FFBDRO CC(C)(C)OC(=O)NCCC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000774169196 1010499025 /nfs/dbraw/zinc/49/90/25/1010499025.db2.gz LFVDHPIQZKZHPI-KBPBESRZSA-N 1 0 367.450 2.779 20 5 FFBDRO CCOCOc1ccc(C[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)cc1 ZINC000865705178 1010845305 /nfs/dbraw/zinc/84/53/05/1010845305.db2.gz JFBSYQTYNREPTC-IBGZPJMESA-N 1 0 360.410 2.965 20 5 FFBDRO CN(CC[NH+]1CC2(C1)CCOCC2)c1ccc([N+](=O)[O-])c2cnccc21 ZINC000866256702 1010962716 /nfs/dbraw/zinc/96/27/16/1010962716.db2.gz OXUXNMKQJFQPHD-UHFFFAOYSA-N 1 0 356.426 2.692 20 5 FFBDRO C[C@@]([NH3+])(C(=O)N[C@@H]1C[C@H]1c1c(F)cccc1F)c1cccc([N+](=O)[O-])c1 ZINC000867980242 1011137466 /nfs/dbraw/zinc/13/74/66/1011137466.db2.gz UALMVAASHQJYQB-DWQUBVKVSA-N 1 0 361.348 2.719 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]C[C@@H](O)COc1ccccc1)CC2 ZINC001172898058 1012073623 /nfs/dbraw/zinc/07/36/23/1012073623.db2.gz FXYVEKJRJINKMR-IEBWSBKVSA-N 1 0 356.422 2.872 20 5 FFBDRO O=C1[C@H]2C[N@H+]([C@@H]3CCc4ccc([N+](=O)[O-])cc4CC3)C[C@H]2CN1CC1CC1 ZINC001172904461 1012078095 /nfs/dbraw/zinc/07/80/95/1012078095.db2.gz NPDZDNNQLWCKGG-NSHGMRRFSA-N 1 0 369.465 2.642 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1CC[C@H](Oc3cnccn3)C1)CC2 ZINC001172914037 1012096014 /nfs/dbraw/zinc/09/60/14/1012096014.db2.gz YCBUBEMZOWCYPQ-WMZOPIPTSA-N 1 0 354.410 2.786 20 5 FFBDRO COC(=O)c1ccc(C[NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)cn1 ZINC001172909541 1012123168 /nfs/dbraw/zinc/12/31/68/1012123168.db2.gz SJUWYOLNDPOVGZ-INIZCTEOSA-N 1 0 355.394 2.814 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H](N(c1cnccn1)C1CC[NH2+]CC1)CC2 ZINC001172912731 1012125216 /nfs/dbraw/zinc/12/52/16/1012125216.db2.gz LWXUUBVDOJJLHP-KRWDZBQOSA-N 1 0 367.453 2.891 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH2+]C[C@@H]3CC[C@@H](O)C3)CC2)c(F)c1 ZINC001173006337 1012173856 /nfs/dbraw/zinc/17/38/56/1012173856.db2.gz REMXLIGWLREYMW-BXUZGUMPSA-N 1 0 355.385 2.592 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH2+]C[C@@H]3CCC[C@@H](O)C3)CC2)c(F)c1 ZINC001173010056 1012178686 /nfs/dbraw/zinc/17/86/86/1012178686.db2.gz QXYSTINTBYWSRB-IUODEOHRSA-N 1 0 369.412 2.983 20 5 FFBDRO O=C1CCC[N@@H+](C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)CC1 ZINC001173014013 1012184512 /nfs/dbraw/zinc/18/45/12/1012184512.db2.gz NUNMWELUUNHPTI-UHFFFAOYSA-N 1 0 353.369 2.897 20 5 FFBDRO COC(=O)[C@H]1CCCC[C@@H]1[NH2+][C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173177674 1012318990 /nfs/dbraw/zinc/31/89/90/1012318990.db2.gz CORRHBQKRGAPSK-OBJOEFQTSA-N 1 0 368.405 2.995 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CCn2nc(C)cc2C)c1F ZINC001173175107 1012319355 /nfs/dbraw/zinc/31/93/55/1012319355.db2.gz KVZGKVKXKUOHTG-NSHDSACASA-N 1 0 350.394 2.777 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@@H](CO)c2ccc(O)cc2)c1F ZINC001173181068 1012324098 /nfs/dbraw/zinc/32/40/98/1012324098.db2.gz BHVMNLRCBSKGRU-ABAIWWIYSA-N 1 0 364.373 2.702 20 5 FFBDRO CC1([NH3+])CCN(C(=O)c2cc(F)cc3c2[nH]c2ccc(F)cc2c3=O)CC1 ZINC000646993718 1012324540 /nfs/dbraw/zinc/32/45/40/1012324540.db2.gz GDDNCVSCOGPSGM-UHFFFAOYSA-N 1 0 371.387 2.913 20 5 FFBDRO COC(=O)CCCCC[NH2+][C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173180204 1012325341 /nfs/dbraw/zinc/32/53/41/1012325341.db2.gz UHAQHOPGIMKPBZ-GFCCVEGCSA-N 1 0 356.394 2.997 20 5 FFBDRO COC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C1 ZINC001173184586 1012329579 /nfs/dbraw/zinc/32/95/79/1012329579.db2.gz RNQIQTYFVVIKNO-UTUOFQBUSA-N 1 0 354.378 2.605 20 5 FFBDRO COC(=O)[C@@]1(C)CC[N@@H+]([C@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C1 ZINC001173192838 1012335115 /nfs/dbraw/zinc/33/51/15/1012335115.db2.gz KXQKNWDLSMGYKP-DIFFPNOSSA-N 1 0 354.378 2.559 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N(c2ccccn2)[C@@H]2CC[NH2+]C2)c1F ZINC001173192513 1012335717 /nfs/dbraw/zinc/33/57/17/1012335717.db2.gz LRRLBCSPPWBROR-ZIAGYGMSSA-N 1 0 374.416 2.937 20 5 FFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1C[C@H]2CN(Cc3cccnc3)C[C@@H]2C1 ZINC001173220753 1012351299 /nfs/dbraw/zinc/35/12/99/1012351299.db2.gz CDCGTHDLOJNRSX-NSISKUIASA-N 1 0 366.465 2.985 20 5 FFBDRO Cc1noc(C[C@H]2C[C@H]3C[N@@H+]([C@H](C)Cc4ccc([N+](=O)[O-])cc4)C[C@H]3O2)n1 ZINC001173223767 1012354176 /nfs/dbraw/zinc/35/41/76/1012354176.db2.gz CJBAHZNKCWEWPF-UOAMXJAYSA-N 1 0 372.425 2.549 20 5 FFBDRO Cc1nccc(N([C@H](C)Cc2ccc([N+](=O)[O-])cc2)C2CC[NH2+]CC2)n1 ZINC001173237079 1012382453 /nfs/dbraw/zinc/38/24/53/1012382453.db2.gz HLQFCVARGTXUEJ-CQSZACIVSA-N 1 0 355.442 2.883 20 5 FFBDRO Cn1ccnc1[C@H](NC[C@]12CCC[C@H]1[NH2+]CC2)c1ccc([N+](=O)[O-])cc1 ZINC000925839176 1017866449 /nfs/dbraw/zinc/86/64/49/1017866449.db2.gz GWJGVCMHIHGYFY-ZHALLVOQSA-N 1 0 355.442 2.540 20 5 FFBDRO CC1(COC(=O)Cn2cc([N+](=O)[O-])cn2)CC[NH+](Cc2ccccc2)CC1 ZINC000749051680 1017984801 /nfs/dbraw/zinc/98/48/01/1017984801.db2.gz JQBFMZMILPEEPR-UHFFFAOYSA-N 1 0 372.425 2.637 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](OCC[NH+]3CCCC3)C2)c1C ZINC000901076761 1018719354 /nfs/dbraw/zinc/71/93/54/1018719354.db2.gz KOOUZDVQHQABQM-MRXNPFEDSA-N 1 0 361.442 2.539 20 5 FFBDRO CC(C)[NH+]1CCN(CCC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC1 ZINC000901265874 1018884021 /nfs/dbraw/zinc/88/40/21/1018884021.db2.gz KLLBJITXVCPOLR-UHFFFAOYSA-N 1 0 374.485 2.502 20 5 FFBDRO Cc1c(CC(=O)N[C@H](CC[NH+](C)C)c2cccnc2)cccc1[N+](=O)[O-] ZINC000928837189 1019153732 /nfs/dbraw/zinc/15/37/32/1019153732.db2.gz PMVQRWKBNDZRNW-QGZVFWFLSA-N 1 0 356.426 2.650 20 5 FFBDRO Cc1cc(F)cc(C(=O)N[C@@H](CC[NH+](C)C)c2cccnc2)c1[N+](=O)[O-] ZINC000928838762 1019155261 /nfs/dbraw/zinc/15/52/61/1019155261.db2.gz NIBDKVZGFOTOEV-INIZCTEOSA-N 1 0 360.389 2.860 20 5 FFBDRO C[C@@H](NC(=O)c1cc([N+](=O)[O-])c(F)cc1N)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000801950968 1019536623 /nfs/dbraw/zinc/53/66/23/1019536623.db2.gz OFDHLCJKWRBHIS-NEPJUHHUSA-N 1 0 364.421 2.699 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000930166604 1019903025 /nfs/dbraw/zinc/90/30/25/1019903025.db2.gz LPSLOJAXCNMASK-UHFFFAOYSA-N 1 0 357.414 2.724 20 5 FFBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000777963457 1020333122 /nfs/dbraw/zinc/33/31/22/1020333122.db2.gz LRKRULMXVJTOFP-LPHOPBHVSA-N 1 0 355.442 2.832 20 5 FFBDRO Cc1ccc(C[NH2+]C[C@H]2CC[C@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1 ZINC001048607642 1020349689 /nfs/dbraw/zinc/34/96/89/1020349689.db2.gz FOYIVTVZWJQXQG-NCXUSEDFSA-N 1 0 359.470 2.672 20 5 FFBDRO C[N@@H+]1CCC[C@@H]2CN(Cn3cc(-c4cccc([N+](=O)[O-])c4)cn3)CC[C@H]21 ZINC000777963014 1020353661 /nfs/dbraw/zinc/35/36/61/1020353661.db2.gz FORBQYITJLOWBY-VQIMIIECSA-N 1 0 355.442 2.832 20 5 FFBDRO C[N@@H+]1CCC[C@H]2CN(Cn3cc(-c4cccc([N+](=O)[O-])c4)cn3)CC[C@@H]21 ZINC000777963011 1020356813 /nfs/dbraw/zinc/35/68/13/1020356813.db2.gz FORBQYITJLOWBY-LPHOPBHVSA-N 1 0 355.442 2.832 20 5 FFBDRO C[C@@H]1CCC[C@H]([N@H+](C)CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000726586211 1020488876 /nfs/dbraw/zinc/48/88/76/1020488876.db2.gz IPFBARIZDAXWIR-KGLIPLIRSA-N 1 0 360.414 2.831 20 5 FFBDRO CCOc1cc(C[N@@H+]2CCC[C@H]([C@]3(C)COC(=O)N3)C2)ccc1[N+](=O)[O-] ZINC000932018128 1020668782 /nfs/dbraw/zinc/66/87/82/1020668782.db2.gz ACKAJDCFKUINGD-KSSFIOAISA-N 1 0 363.414 2.704 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]([C@@]2(C)COC(=O)N2)C1 ZINC000932027429 1020673596 /nfs/dbraw/zinc/67/35/96/1020673596.db2.gz YJUYQKNGZWJLKY-KBXCAEBGSA-N 1 0 363.414 2.704 20 5 FFBDRO COc1cc([C@H](C)[NH2+][C@@H]2CCCN(c3cc(C)nn3C)C2)cc([N+](=O)[O-])c1 ZINC000903161534 1020709500 /nfs/dbraw/zinc/70/95/00/1020709500.db2.gz UKTSOWQIUZSSHA-GOEBONIOSA-N 1 0 373.457 2.965 20 5 FFBDRO C[C@H]1C[N@H+](Cc2cccnc2[N+](=O)[O-])CC[C@@H]1CNC(=O)OC(C)(C)C ZINC000932709608 1020880664 /nfs/dbraw/zinc/88/06/64/1020880664.db2.gz JUGQOYSZLABFNR-UONOGXRCSA-N 1 0 364.446 2.973 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@@H](C2CCOCC2)C1 ZINC000933079004 1020952626 /nfs/dbraw/zinc/95/26/26/1020952626.db2.gz IKSHDOXHBPNVHH-MRXNPFEDSA-N 1 0 361.442 2.980 20 5 FFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCCN2CCc3ccccc3C2)c1 ZINC000749674210 1021018560 /nfs/dbraw/zinc/01/85/60/1021018560.db2.gz VWJNYDLLTDXOGR-FQEVSTJZSA-N 1 0 355.438 2.666 20 5 FFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2C[C@H]3CN(c4ccccc4)C[C@H]3C2)c1 ZINC000749686324 1021020680 /nfs/dbraw/zinc/02/06/80/1021020680.db2.gz HNVWGXFIEVZSLK-QKLQHJQFSA-N 1 0 353.422 2.696 20 5 FFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]Cc2ccc(-n3ccnc3)c(F)c2)c1 ZINC000749688273 1021020826 /nfs/dbraw/zinc/02/08/26/1021020826.db2.gz KMDAWVIBVKCKMY-SFHVURJKSA-N 1 0 356.357 2.743 20 5 FFBDRO C[C@@H]1CC[NH2+]CC[C@H]1Oc1cc(O)cc2oc3c(O)ccc(O)c3c(=O)c12 ZINC001218029365 1032961324 /nfs/dbraw/zinc/96/13/24/1032961324.db2.gz CDABCUBHFQXCCJ-QMTHXVAHSA-N 1 0 371.389 2.830 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H](Oc1cccc(CN3CC[NH2+]CC3)c1)C2 ZINC001218045414 1032968875 /nfs/dbraw/zinc/96/88/75/1032968875.db2.gz LFYKGSKTVVXCLM-HXUWFJFHSA-N 1 0 353.422 2.546 20 5 FFBDRO C[NH+](C)CCc1ccc(NC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)cc1 ZINC000778258031 1021316986 /nfs/dbraw/zinc/31/69/86/1021316986.db2.gz XCTMGMOFJVNDTC-UHFFFAOYSA-N 1 0 371.422 2.956 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(C[N@@H+]2CC[C@H](O)[C@H](CO)C2)o1 ZINC001118013601 1022019797 /nfs/dbraw/zinc/01/97/97/1022019797.db2.gz ZQPLRMJHPIGTQV-ZBEGNZNMSA-N 1 0 366.801 2.683 20 5 FFBDRO C[NH+](C)[C@H]1Cc2ccccc2N(Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000158546355 1022535937 /nfs/dbraw/zinc/53/59/37/1022535937.db2.gz QIPPBLZIEZXGGA-KRWDZBQOSA-N 1 0 351.410 2.895 20 5 FFBDRO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N(C)CC[NH+]1CC2(C1)CCOCC2 ZINC000829247646 1033062560 /nfs/dbraw/zinc/06/25/60/1033062560.db2.gz PYPWLAIZLLJAGX-SSZFMOIBSA-N 1 0 373.453 2.569 20 5 FFBDRO CC(C)(NC(=O)NCc1cccc2c1CC[NH2+]C2)c1ccc([N+](=O)[O-])cc1 ZINC001119418206 1022752034 /nfs/dbraw/zinc/75/20/34/1022752034.db2.gz AHGBGHRYSYMFIR-UHFFFAOYSA-N 1 0 368.437 2.975 20 5 FFBDRO COc1cc(C(=O)N(CCc2ccccc2)CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000751088657 1022754590 /nfs/dbraw/zinc/75/45/90/1022754590.db2.gz MHQLKQJWSNSITA-UHFFFAOYSA-N 1 0 371.437 2.850 20 5 FFBDRO C/C(=C\C(=O)N1CC[C@@H](OCC[NH+]2CCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000752574363 1023165958 /nfs/dbraw/zinc/16/59/58/1023165958.db2.gz BXXABYPOXVDQAJ-JRJUITNWSA-N 1 0 373.453 2.711 20 5 FFBDRO [NH3+][C@@H]1c2ccccc2C[C@H]1NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001122361940 1023217122 /nfs/dbraw/zinc/21/71/22/1023217122.db2.gz KXLNTEHGDWXZHQ-QZTJIDSGSA-N 1 0 351.406 2.757 20 5 FFBDRO CN(CC1CC[NH2+]CC1)C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC001122564282 1023341868 /nfs/dbraw/zinc/34/18/68/1023341868.db2.gz QGGMQDSJXNOXNX-UHFFFAOYSA-N 1 0 357.863 2.798 20 5 FFBDRO CC(C)[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1nnc2ccccn21 ZINC000754187505 1023436812 /nfs/dbraw/zinc/43/68/12/1023436812.db2.gz UFUNGZXQEFHOPT-DOTOQJQBSA-N 1 0 355.398 2.658 20 5 FFBDRO COC(=O)c1cc(Br)cc([N+](=O)[O-])c1O[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001218391698 1033134479 /nfs/dbraw/zinc/13/44/79/1033134479.db2.gz GDPMRBAGJCTIFV-PSASIEDQSA-N 1 0 373.203 2.663 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2ncn(C[N@@H+]3CC[C@H](C4CCOCC4)C3)n2)c1 ZINC000754778721 1023515650 /nfs/dbraw/zinc/51/56/50/1023515650.db2.gz MBUDPDARXOFQGG-INIZCTEOSA-N 1 0 357.414 2.559 20 5 FFBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000755315788 1023590380 /nfs/dbraw/zinc/59/03/80/1023590380.db2.gz FICXVHRADCHNKD-CCEZHUSRSA-N 1 0 361.442 2.567 20 5 FFBDRO C[NH+]1CCC([C@H]2CCN(c3ccc([N+](=O)[O-])cc3C(=O)NC3CC3)C2)CC1 ZINC000755919346 1023650649 /nfs/dbraw/zinc/65/06/49/1023650649.db2.gz HANIOVDONQHGFM-HNNXBMFYSA-N 1 0 372.469 2.655 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)CCc3cc(F)ccc3[N+](=O)[O-])C[C@H]2C1 ZINC001121237584 1023663167 /nfs/dbraw/zinc/66/31/67/1023663167.db2.gz CPJZZTGJXVGXFC-BFYDXBDKSA-N 1 0 363.433 2.855 20 5 FFBDRO C[C@H](c1nnc(N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n1C)[N+](=O)[O-] ZINC001121296102 1023692711 /nfs/dbraw/zinc/69/27/11/1023692711.db2.gz DZBGQDPMLZFLOY-INMHGKMJSA-N 1 0 372.473 2.642 20 5 FFBDRO COc1ccc(NC(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC001123274496 1023717638 /nfs/dbraw/zinc/71/76/38/1023717638.db2.gz HSZQFMQFAUHFHT-GFCCVEGCSA-N 1 0 350.419 2.845 20 5 FFBDRO CCC[C@H]1CCC[N@H+](CN2C(=O)N[C@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000757610426 1023836843 /nfs/dbraw/zinc/83/68/43/1023836843.db2.gz MWSUHVDWGANHBP-IFXJQAMLSA-N 1 0 374.441 2.831 20 5 FFBDRO O=C(C[NH2+][C@@H]1CCO[C@H]1c1ccccc1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000191962180 1023941779 /nfs/dbraw/zinc/94/17/79/1023941779.db2.gz GHCYKTOMABFECU-XLIONFOSSA-N 1 0 367.405 2.604 20 5 FFBDRO CC[NH+](CC)CC[C@@H](C)NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001124128086 1024301918 /nfs/dbraw/zinc/30/19/18/1024301918.db2.gz KHGQCQJWRPDQDU-CQSZACIVSA-N 1 0 359.430 2.631 20 5 FFBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC[C@H]2CCC[N@@H+]2C)CC1 ZINC000194740323 1024886160 /nfs/dbraw/zinc/88/61/60/1024886160.db2.gz OYSHSVKINLJFPM-MRXNPFEDSA-N 1 0 360.458 2.655 20 5 FFBDRO CC(C)(C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])[C@@H]1COCC12OCCO2 ZINC000839177119 1026612512 /nfs/dbraw/zinc/61/25/12/1026612512.db2.gz VKIDIGYRCWJPKK-UABRLCRWSA-N 1 0 362.426 2.613 20 5 FFBDRO Cn1cc([N+](=O)[O-])c(C(=O)OCc2ccc(C[NH+]3CCCCC3)cc2)n1 ZINC000840404380 1027071650 /nfs/dbraw/zinc/07/16/50/1027071650.db2.gz BSZRXOPHKYBCMW-UHFFFAOYSA-N 1 0 358.398 2.671 20 5 FFBDRO [NH3+]Cc1ccc2c(n1)N(c1ccc(-c3ccc([N+](=O)[O-])cc3)nn1)CCC2 ZINC001158652324 1027085059 /nfs/dbraw/zinc/08/50/59/1027085059.db2.gz OTYUPUHVMIZZLO-UHFFFAOYSA-N 1 0 362.393 2.990 20 5 FFBDRO [NH3+]CCc1cn(-c2ccc(-c3ccc([N+](=O)[O-])cc3)nn2)c2cccnc12 ZINC001158752682 1027122898 /nfs/dbraw/zinc/12/28/98/1027122898.db2.gz XXUPAHYCYBBYEI-UHFFFAOYSA-N 1 0 360.377 2.892 20 5 FFBDRO Cc1ccc(-c2ccc(-n3nnc4ccc(C[NH3+])cc43)nn2)cc1[N+](=O)[O-] ZINC001159029698 1027236951 /nfs/dbraw/zinc/23/69/51/1027236951.db2.gz VOXFUPAKWTZJBM-UHFFFAOYSA-N 1 0 361.365 2.553 20 5 FFBDRO COC(=O)c1ccc2c(cnn2C[N@H+](C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000795645216 1027383710 /nfs/dbraw/zinc/38/37/10/1027383710.db2.gz RLEFPMBXFVTYAN-UHFFFAOYSA-N 1 0 368.393 2.863 20 5 FFBDRO [NH3+]Cc1nccnc1Nc1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)nn1 ZINC001160249660 1027650601 /nfs/dbraw/zinc/65/06/01/1027650601.db2.gz BUELEQSSZJIANN-UHFFFAOYSA-N 1 0 357.761 2.698 20 5 FFBDRO O=[N+]([O-])c1cc(C(F)(F)N[C@@H]2CC[NH2+]C[C@H]2C(F)(F)F)cnc1Cl ZINC001160737366 1027845059 /nfs/dbraw/zinc/84/50/59/1027845059.db2.gz PFKVWEUWUNNIEQ-HTQZYQBOSA-N 1 0 374.697 2.823 20 5 FFBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000795707495 1027894751 /nfs/dbraw/zinc/89/47/51/1027894751.db2.gz NXEZIYZVJRPBET-DNVCBOLYSA-N 1 0 355.442 2.974 20 5 FFBDRO CCOC1CC2(C1)CCN(CN1CCN(c3ccccc3[N+](=O)[O-])C1=O)C2 ZINC000795725727 1028018660 /nfs/dbraw/zinc/01/86/60/1028018660.db2.gz KNYASSNWRBMLBF-UHFFFAOYSA-N 1 0 374.441 2.685 20 5 FFBDRO C[C@H](CCNC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC001154077688 1028137430 /nfs/dbraw/zinc/13/74/30/1028137430.db2.gz CCKVBMWIXDANPH-LLVKDONJSA-N 1 0 354.838 2.825 20 5 FFBDRO O=[N+]([O-])c1cnc(NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC001161885243 1028348991 /nfs/dbraw/zinc/34/89/91/1028348991.db2.gz KNLOJQNGIOWNGZ-AWEZNQCLSA-N 1 0 357.370 2.975 20 5 FFBDRO O=[N+]([O-])c1cnc(NC[C@@H]2CCC3(CC[NH2+]CC3)CO2)c(C(F)(F)F)c1 ZINC001162967124 1028737507 /nfs/dbraw/zinc/73/75/07/1028737507.db2.gz YUTRIKDRWSPVQR-LBPRGKRZSA-N 1 0 374.363 2.969 20 5 FFBDRO O=[N+]([O-])c1ccc(NC[C@H]2OC[C@H]3C[NH2+]CC[C@H]32)nc1-c1ccc(F)cc1 ZINC001155526774 1028777546 /nfs/dbraw/zinc/77/75/46/1028777546.db2.gz SQFTYOKWNYYCAB-FRFSOERESA-N 1 0 372.400 2.832 20 5 FFBDRO CN1CCc2c(NCC[C@@H]3C[NH2+]Cc4cccn4C3)ccc([N+](=O)[O-])c2C1 ZINC001163063450 1028782548 /nfs/dbraw/zinc/78/25/48/1028782548.db2.gz IJOQQOZCZFHKBX-OAHLLOKOSA-N 1 0 369.469 2.606 20 5 FFBDRO O=[N+]([O-])c1cc2ccccc2nc1-n1c2ccccc2nc1N1CC[NH2+]CC1 ZINC001155584424 1028799515 /nfs/dbraw/zinc/79/95/15/1028799515.db2.gz CAVBLDSIGWGZCX-UHFFFAOYSA-N 1 0 374.404 2.892 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ccc(NC[C@@H]3CO[C@@]4(C3)CCC[NH2+]C4)nn2)cc1 ZINC001155597255 1028806930 /nfs/dbraw/zinc/80/69/30/1028806930.db2.gz LBBSABYLSKJDFF-AUUYWEPGSA-N 1 0 369.425 2.622 20 5 FFBDRO O=[N+]([O-])c1cc(F)cc(Br)c1N[C@H]1CCO[C@]2(CC[NH2+]C2)C1 ZINC001163315601 1028889500 /nfs/dbraw/zinc/88/95/00/1028889500.db2.gz LPCICKNDXYBOAC-IINYFYTJSA-N 1 0 374.210 2.819 20 5 FFBDRO CC(C)c1ccc(CNc2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])cc1 ZINC001155945753 1028985149 /nfs/dbraw/zinc/98/51/49/1028985149.db2.gz GFNPVRUARREQDU-UHFFFAOYSA-N 1 0 356.430 2.530 20 5 FFBDRO COc1nc(C)c([N+](=O)[O-])c(-n2c3ccccc3nc2C2CC[NH2+]CC2)n1 ZINC001163759812 1029051021 /nfs/dbraw/zinc/05/10/21/1029051021.db2.gz KPNWGDSOBOBCDR-UHFFFAOYSA-N 1 0 368.397 2.508 20 5 FFBDRO O=[N+]([O-])c1cc(N2CCC[N@H+](Cc3ccncc3)CC2)nc2[nH]ccc21 ZINC001163826457 1029076088 /nfs/dbraw/zinc/07/60/88/1029076088.db2.gz FXYNPRFZMLYLST-UHFFFAOYSA-N 1 0 352.398 2.578 20 5 FFBDRO COC(=O)c1cc(C)nc(NCc2cccc(C[NH+](C)C)c2)c1[N+](=O)[O-] ZINC001163993295 1029137767 /nfs/dbraw/zinc/13/77/67/1029137767.db2.gz JDRYXIHCWFDXDB-UHFFFAOYSA-N 1 0 358.398 2.759 20 5 FFBDRO Cc1ccc(-c2ccc(N3C[C@H]4C[C@@]4(C[NH+](C)C)C3)nn2)cc1[N+](=O)[O-] ZINC001156395246 1029180312 /nfs/dbraw/zinc/18/03/12/1029180312.db2.gz IUTLDCGAXVLXEG-DNVCBOLYSA-N 1 0 353.426 2.748 20 5 FFBDRO Cc1cc(N2CCC(C[N@@H+](CCO)C(C)C)CC2)c(F)cc1[N+](=O)[O-] ZINC001164190430 1029195921 /nfs/dbraw/zinc/19/59/21/1029195921.db2.gz AWLGKEHYOIACAG-UHFFFAOYSA-N 1 0 353.438 2.961 20 5 FFBDRO C[Si](C)(C)CCOC[NH2+][C@@H]1CCCN(c2cccc([N+](=O)[O-])n2)C1 ZINC001156467027 1029202294 /nfs/dbraw/zinc/20/22/94/1029202294.db2.gz YVFQCLPMLXYSAB-CQSZACIVSA-N 1 0 352.511 2.861 20 5 FFBDRO O=C(NCCC1(C[NH2+]Cc2c(F)cccc2Cl)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001164490504 1029296156 /nfs/dbraw/zinc/29/61/56/1029296156.db2.gz KZZGRHPLGRJURB-IAQYHMDHSA-N 1 0 369.824 2.520 20 5 FFBDRO C[N@@H+]1CCC[C@H]2CN(c3nc(C(F)(F)F)nc(Cl)c3[N+](=O)[O-])C[C@H]21 ZINC001157272460 1029532971 /nfs/dbraw/zinc/53/29/71/1029532971.db2.gz MYKQWQIGNFLMCT-JGVFFNPUSA-N 1 0 365.743 2.587 20 5 FFBDRO C[N@@H+]1CCC[C@H]2CN(c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)nn3)C[C@H]21 ZINC001157282992 1029535578 /nfs/dbraw/zinc/53/55/78/1029535578.db2.gz SCKLPJXAZVFGPE-SUMWQHHRSA-N 1 0 357.389 2.721 20 5 FFBDRO O=[N+]([O-])c1cccc(N(c2ncnc3ccccc32)C2CC[NH2+]CC2)n1 ZINC001157321404 1029552218 /nfs/dbraw/zinc/55/22/18/1029552218.db2.gz ZBBLGZQMOIDDOU-UHFFFAOYSA-N 1 0 350.382 2.823 20 5 FFBDRO O=C(NCCC[NH2+]Cc1sc2ccccc2c1Cl)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157775817 1029661136 /nfs/dbraw/zinc/66/11/36/1029661136.db2.gz YTYBJEYKRARVDM-VXGBXAGGSA-N 1 0 367.858 2.816 20 5 FFBDRO CCc1cc(-n2cc3c(n2)CC[C@H]([NH3+])C3)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001157985822 1029701642 /nfs/dbraw/zinc/70/16/42/1029701642.db2.gz YGTCWBMAGKLRIU-AWEZNQCLSA-N 1 0 364.409 2.616 20 5 FFBDRO COc1ccc(CN(c2cccc([N+](=O)[O-])n2)C2CC[NH2+]CC2)cc1F ZINC001158004703 1029706964 /nfs/dbraw/zinc/70/69/64/1029706964.db2.gz PJOTXJQEZFBSBW-UHFFFAOYSA-N 1 0 360.389 2.896 20 5 FFBDRO [NH3+]Cc1cccc(-c2nnn(-c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)n2)c1 ZINC001158045793 1029716793 /nfs/dbraw/zinc/71/67/93/1029716793.db2.gz FYNBQBHWPGIVJE-UHFFFAOYSA-N 1 0 373.376 2.758 20 5 FFBDRO COc1cccc(N(c2ncc([N+](=O)[O-])c(C)c2C)C2CC[NH2+]CC2)n1 ZINC001158054658 1029720654 /nfs/dbraw/zinc/72/06/54/1029720654.db2.gz YERHCLWUFXKRLX-UHFFFAOYSA-N 1 0 357.414 2.900 20 5 FFBDRO O=C(CC[N@@H+]1CCC[C@H]([C@@H]2CCOC2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000782526168 1029733268 /nfs/dbraw/zinc/73/32/68/1029733268.db2.gz HQSNWAAABQPTGK-UONOGXRCSA-N 1 0 365.405 2.811 20 5 FFBDRO Cc1ccccc1[C@@H](CO)[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000782531736 1029734926 /nfs/dbraw/zinc/73/49/26/1029734926.db2.gz SIVYDIPYOFAROY-QGZVFWFLSA-N 1 0 361.373 2.694 20 5 FFBDRO [NH3+]CCCc1nc2ccc(Cl)cc2n1-c1nc(Cl)ncc1[N+](=O)[O-] ZINC001158135262 1029741909 /nfs/dbraw/zinc/74/19/09/1029741909.db2.gz VTWSLANVLCEVPL-UHFFFAOYSA-N 1 0 367.196 2.922 20 5 FFBDRO COC(=O)c1ccnc(N[C@@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)c1[N+](=O)[O-] ZINC001158263404 1029777736 /nfs/dbraw/zinc/77/77/36/1029777736.db2.gz CKTPQZHWMMOAGX-PIGZYNQJSA-N 1 0 350.419 2.732 20 5 FFBDRO COC(=O)c1cnc(N[C@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)c([N+](=O)[O-])c1 ZINC001158266904 1029778708 /nfs/dbraw/zinc/77/87/08/1029778708.db2.gz NLBWIUWCGMJVKH-SJCJKPOMSA-N 1 0 350.419 2.732 20 5 FFBDRO Cc1nc(N(Cc2ccc(F)cc2)C2CC[NH+](C)CC2)ncc1[N+](=O)[O-] ZINC001158454217 1029833266 /nfs/dbraw/zinc/83/32/66/1029833266.db2.gz OWUVKLVKBWHXAE-UHFFFAOYSA-N 1 0 359.405 2.933 20 5 FFBDRO C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1c1ncc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001165200067 1029886678 /nfs/dbraw/zinc/88/66/78/1029886678.db2.gz AXTLKXFJIPZBKG-KBPBESRZSA-N 1 0 371.397 2.997 20 5 FFBDRO CCOC(=O)c1ccnc(N2CCCC[C@@H]2C2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001165323670 1029946413 /nfs/dbraw/zinc/94/64/13/1029946413.db2.gz RMLZTHLDPUSLSI-OAHLLOKOSA-N 1 0 362.430 2.525 20 5 FFBDRO COC(=O)Cc1ccc(NCC2C[NH+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC001165469782 1029991984 /nfs/dbraw/zinc/99/19/84/1029991984.db2.gz QRUINYOZTCDQQY-UHFFFAOYSA-N 1 0 369.421 2.854 20 5 FFBDRO CC(C)N(c1cc(Cl)cc([N+](=O)[O-])n1)c1ncnc2c1CC[NH2+]CC2 ZINC001165513060 1030005485 /nfs/dbraw/zinc/00/54/85/1030005485.db2.gz PDZPMJUGXWVPDA-UHFFFAOYSA-N 1 0 362.821 2.668 20 5 FFBDRO Cc1cccc(N(c2cccc([N+](=O)[O-])n2)[C@@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001165771157 1030117326 /nfs/dbraw/zinc/11/73/26/1030117326.db2.gz JNNPLKHETUJRNK-LPHOPBHVSA-N 1 0 354.410 2.957 20 5 FFBDRO Cc1cccc(N(c2ncc([N+](=O)[O-])cc2N)[C@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC001165774274 1030119886 /nfs/dbraw/zinc/11/98/86/1030119886.db2.gz CANLCCRIABZKQL-VQIMIIECSA-N 1 0 369.425 2.540 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCCn3cnc(C[NH2+]C4CCC4)c3C2)n1 ZINC001165911126 1030168929 /nfs/dbraw/zinc/16/89/29/1030168929.db2.gz MVKTUJSYYYRJJP-UHFFFAOYSA-N 1 0 370.457 2.856 20 5 FFBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC001142221306 1030181337 /nfs/dbraw/zinc/18/13/37/1030181337.db2.gz AFWKWANNAOEVMQ-KBPBESRZSA-N 1 0 351.422 2.903 20 5 FFBDRO CS(=O)(=O)N(c1cccc(C[NH3+])c1)c1cc2cc[nH]c2c([N+](=O)[O-])c1 ZINC001166470947 1030415386 /nfs/dbraw/zinc/41/53/86/1030415386.db2.gz JMBFRBHSIMXIGV-UHFFFAOYSA-N 1 0 360.395 2.633 20 5 FFBDRO O=[N+]([O-])c1ccccc1Cc1noc([C@@]2(c3ccccc3)CC[NH2+]C2)n1 ZINC000841823047 1030488064 /nfs/dbraw/zinc/48/80/64/1030488064.db2.gz XJPRMXRXXCABJF-IBGZPJMESA-N 1 0 350.378 2.848 20 5 FFBDRO CN(c1cc(Oc2ccnc(Cl)c2)c(F)cc1[N+](=O)[O-])C1C[NH2+]C1 ZINC001166978480 1030595736 /nfs/dbraw/zinc/59/57/36/1030595736.db2.gz QCWSXNOZGYZDJB-UHFFFAOYSA-N 1 0 352.753 2.983 20 5 FFBDRO CCC1([NH+](C)C)CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)CC1 ZINC001534751615 1069679947 /nfs/dbraw/zinc/67/99/47/1069679947.db2.gz OMXYZRGQHFIZGX-UHFFFAOYSA-N 1 0 364.402 2.758 20 5 FFBDRO Cc1ccccc1CN1CCO[C@@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001203413729 1030689178 /nfs/dbraw/zinc/68/91/78/1030689178.db2.gz CZCPNBPFBWFQDA-FQEVSTJZSA-N 1 0 355.438 2.894 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ncn(C[N@@H+]3CC[C@H](c4cccnc4)C3)n2)cc1 ZINC000842623023 1030842532 /nfs/dbraw/zinc/84/25/32/1030842532.db2.gz SEEOBWHFOAPZTJ-INIZCTEOSA-N 1 0 350.382 2.695 20 5 FFBDRO [NH3+]C[C@@H]1c2ccccc2CCN1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000843390832 1031371339 /nfs/dbraw/zinc/37/13/39/1031371339.db2.gz GDVMXRSYFZFSSR-QGZVFWFLSA-N 1 0 374.828 2.745 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cccc4c3CCOC4)CC2)cc1 ZINC001205116179 1031536177 /nfs/dbraw/zinc/53/61/77/1031536177.db2.gz XDMWGHUQUYFICQ-UHFFFAOYSA-N 1 0 353.422 2.990 20 5 FFBDRO O=C(NCC1([NH2+]Cc2ccc3cc[nH]c3c2)CCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001115530627 1031787243 /nfs/dbraw/zinc/78/72/43/1031787243.db2.gz ICPCBROZJIMFCB-SJLPKXTDSA-N 1 0 370.453 2.742 20 5 FFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](CCO)Cc1ccccc1 ZINC000799732405 1031867517 /nfs/dbraw/zinc/86/75/17/1031867517.db2.gz YKTIJDBTWZSGGX-QAPCUYQASA-N 1 0 371.437 2.895 20 5 FFBDRO COc1ccc(C[C@H](CO)C[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1O ZINC001205693463 1031940521 /nfs/dbraw/zinc/94/05/21/1031940521.db2.gz WJCCATAUJGRDFT-HNNXBMFYSA-N 1 0 360.410 2.558 20 5 FFBDRO C[N+](C)(C)C[C@H](O)CC(=O)OC(Cl)(Cl)c1ccccc1Cl ZINC001223186915 1033326521 /nfs/dbraw/zinc/32/65/21/1033326521.db2.gz SOCVKNWGFVMFRC-SNVBAGLBSA-N 1 0 355.669 2.928 20 5 FFBDRO Nc1cc2nc3ccccc3nc2cc1NC(=O)c1ccc([C@@H](N)C[NH3+])cc1 ZINC001218859486 1033382375 /nfs/dbraw/zinc/38/23/75/1033382375.db2.gz OKKZHBGRJNZFBS-HNNXBMFYSA-N 1 0 372.432 2.576 20 5 FFBDRO C[C@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000830166972 1033490430 /nfs/dbraw/zinc/49/04/30/1033490430.db2.gz CSASXVVYFNEZGZ-SJCJKPOMSA-N 1 0 370.365 2.959 20 5 FFBDRO CO[C@@H]1CC[N@H+](CCOCc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)C1 ZINC001223731704 1033568461 /nfs/dbraw/zinc/56/84/61/1033568461.db2.gz WBTKMTVRMCUJDC-OAHLLOKOSA-N 1 0 363.439 2.956 20 5 FFBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)N[C@@H]3CCCC34CC4)c2)CC1 ZINC001220188723 1034032090 /nfs/dbraw/zinc/03/20/90/1034032090.db2.gz JEFZRIJJEUKCRH-QGZVFWFLSA-N 1 0 373.457 2.801 20 5 FFBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000831538928 1034118027 /nfs/dbraw/zinc/11/80/27/1034118027.db2.gz JOPZITHWHBKKKJ-OAHLLOKOSA-N 1 0 372.381 2.544 20 5 FFBDRO C[C@H](Oc1ccc(CC(=[NH2+])NO)cc1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001225543871 1034298180 /nfs/dbraw/zinc/29/81/80/1034298180.db2.gz MJYLRGJQQQQGMO-JTQLQIEISA-N 1 0 359.338 2.962 20 5 FFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Oc1ccc([N+](=O)[O-])cc1C(N)=O ZINC001226167329 1034555392 /nfs/dbraw/zinc/55/53/92/1034555392.db2.gz HWGLDVXIGMUPIB-KDOFPFPSSA-N 1 0 369.421 2.983 20 5 FFBDRO C[C@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)C(=O)NCCc1ccccc1 ZINC000834895954 1035470116 /nfs/dbraw/zinc/47/01/16/1035470116.db2.gz GBHKTMYLELLYTP-KBPBESRZSA-N 1 0 356.426 2.575 20 5 FFBDRO COc1cc(O[C@@H](C)C[N+](C)(C)C)c2c(c1)oc1c(O)ccc(O)c1c2=O ZINC001227645853 1035653757 /nfs/dbraw/zinc/65/37/57/1035653757.db2.gz KHBKSLKYVOFXEQ-NSHDSACASA-O 1 0 374.413 2.840 20 5 FFBDRO CC[C@H](C)[NH+]1CCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC001140844744 1036268369 /nfs/dbraw/zinc/26/83/69/1036268369.db2.gz LWIKQDNFVIHKEV-ZDUSSCGKSA-N 1 0 369.849 2.960 20 5 FFBDRO C[C@@H](C[N+](C)(C)C)Oc1nc2ccc(Br)cc2c2ncnn21 ZINC001229160050 1036528959 /nfs/dbraw/zinc/52/89/59/1036528959.db2.gz WQXVKJKNUCIVGW-JTQLQIEISA-N 1 0 365.255 2.514 20 5 FFBDRO O=c1[nH]nc(OC2CCN(c3cc[nH+]cc3)CC2)c2c1cccc2[N+](=O)[O-] ZINC001229366735 1036635152 /nfs/dbraw/zinc/63/51/52/1036635152.db2.gz CWCTVAAQZYFSEF-UHFFFAOYSA-N 1 0 367.365 2.686 20 5 FFBDRO C[NH+]1CCC2(CC[C@H](COc3ncnc4cc([N+](=O)[O-])ccc43)O2)CC1 ZINC001229399126 1036651787 /nfs/dbraw/zinc/65/17/87/1036651787.db2.gz FCCSHQLOHWRLBW-CQSZACIVSA-N 1 0 358.398 2.560 20 5 FFBDRO Cc1ccnc([N+](=O)[O-])c1OC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001233556892 1036680631 /nfs/dbraw/zinc/68/06/31/1036680631.db2.gz QKXFXPUFYPNJBO-QGZVFWFLSA-N 1 0 357.410 2.968 20 5 FFBDRO C[C@@H](c1ccc(O)cc1)c1ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)cc1 ZINC001229578551 1036756851 /nfs/dbraw/zinc/75/68/51/1036756851.db2.gz KUUXHMHYGYERMV-HNAYVOBHSA-O 1 0 358.458 2.907 20 5 FFBDRO CC[N@@H+]1CC[C@H](Oc2cccc(I)c2[N+](=O)[O-])C1 ZINC001229656278 1036807245 /nfs/dbraw/zinc/80/72/45/1036807245.db2.gz ATISNDXGSOXZGY-VIFPVBQESA-N 1 0 362.167 2.672 20 5 FFBDRO CC(C)[N@@H+]1CC[C@@H](Oc2cc(O)cc3oc4c(O)ccc(O)c4c(=O)c23)C1 ZINC001234125851 1036930140 /nfs/dbraw/zinc/93/01/40/1036930140.db2.gz YWHJTYOPJYQETG-GFCCVEGCSA-N 1 0 371.389 2.925 20 5 FFBDRO COc1c(O[C@@H](C)C[N+](C)(C)C)c2nccc3c4ccccc4n(c32)c1=O ZINC001234724224 1037156609 /nfs/dbraw/zinc/15/66/09/1037156609.db2.gz XUFYFOGTUQWJQG-ZDUSSCGKSA-N 1 0 366.441 2.921 20 5 FFBDRO O=[N+]([O-])c1c[nH]cc2nc(OC3CC[NH+](Cc4ccccc4)CC3)nc1-2 ZINC001230230121 1037162723 /nfs/dbraw/zinc/16/27/23/1037162723.db2.gz KXPWKDJGTITGMD-UHFFFAOYSA-N 1 0 353.382 2.910 20 5 FFBDRO C[N@@H+]1C[C@@H]2CN(C(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])C[C@]2(C)C1 ZINC001536776298 1070056486 /nfs/dbraw/zinc/05/64/86/1070056486.db2.gz PJYZXWJOAVQLLW-BZNIZROVSA-N 1 0 369.874 2.750 20 5 FFBDRO CC(C)C[N@H+](C)CCCNC(=O)NC[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001230639070 1037326091 /nfs/dbraw/zinc/32/60/91/1037326091.db2.gz RENICGJYOLZVKR-HNNXBMFYSA-N 1 0 350.463 2.975 20 5 FFBDRO C[C@H](C(=O)N1CCN(c2cc[nH+]cc2)[C@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC001536994326 1070098707 /nfs/dbraw/zinc/09/87/07/1070098707.db2.gz IZIVUWFCPKSTBP-KGLIPLIRSA-N 1 0 372.400 2.970 20 5 FFBDRO COc1cc(N2CCC(N3CCC([NH+](C)C)CC3)CC2)ccc1[N+](=O)[O-] ZINC001256094129 1038378580 /nfs/dbraw/zinc/37/85/80/1038378580.db2.gz GYSDMSIAIQXCHH-UHFFFAOYSA-N 1 0 362.474 2.598 20 5 FFBDRO COc1cc(N2CCC([N@@H+]3CCC[C@H]3C(C)(C)O)CC2)ccc1[N+](=O)[O-] ZINC001256100773 1038383588 /nfs/dbraw/zinc/38/35/88/1038383588.db2.gz OSUWHNCMULXFKO-SFHVURJKSA-N 1 0 363.458 2.808 20 5 FFBDRO COc1cc(N2CCC([N@@H+]3CC[C@@H]4OCC[C@@H]4C3)CC2)ccc1[N+](=O)[O-] ZINC001256100775 1038384190 /nfs/dbraw/zinc/38/41/90/1038384190.db2.gz OTBJXHXCQXEJRO-KDOFPFPSSA-N 1 0 361.442 2.683 20 5 FFBDRO COc1cc(N2CCC([N@@H+]3CCCCC34COC4)CC2)ccc1[N+](=O)[O-] ZINC001256099195 1038384922 /nfs/dbraw/zinc/38/49/22/1038384922.db2.gz NCXJQSWMYQHABU-UHFFFAOYSA-N 1 0 361.442 2.827 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC001251275388 1039044432 /nfs/dbraw/zinc/04/44/32/1039044432.db2.gz FGIPVDVKURQRMQ-LBPRGKRZSA-N 1 0 369.849 2.958 20 5 FFBDRO C[C@@H]1C[NH+](CCc2nnc(-c3cc4cccc([N+](=O)[O-])c4[nH]3)o2)C[C@@H](C)O1 ZINC001258027127 1039125104 /nfs/dbraw/zinc/12/51/04/1039125104.db2.gz JFQYRZBSCGKJFP-VXGBXAGGSA-N 1 0 371.397 2.778 20 5 FFBDRO CCc1n[nH]c(C(=O)N2CCC[N@H+](Cc3ccc(C)cc3)CC2)c1[N+](=O)[O-] ZINC001251486449 1039154715 /nfs/dbraw/zinc/15/47/15/1039154715.db2.gz RRNSBQOSXLXGBW-UHFFFAOYSA-N 1 0 371.441 2.537 20 5 FFBDRO Cc1cncc([N+](=O)[O-])c1NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC001258133892 1039210667 /nfs/dbraw/zinc/21/06/67/1039210667.db2.gz LVBPWNBVSKJPPU-INIZCTEOSA-N 1 0 358.467 2.750 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])cc1-c1nnc(CC[NH+]2C[C@H](C)O[C@@H](C)C2)o1 ZINC001258145549 1039226586 /nfs/dbraw/zinc/22/65/86/1039226586.db2.gz IKBRNJBWCJYADW-KBPBESRZSA-N 1 0 360.414 2.913 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])cc1-c1nnc(CC[NH+]2C[C@@H](C)O[C@H](C)C2)o1 ZINC001258145554 1039226785 /nfs/dbraw/zinc/22/67/85/1039226785.db2.gz IKBRNJBWCJYADW-ZIAGYGMSSA-N 1 0 360.414 2.913 20 5 FFBDRO COc1cc(N2CC[NH+](C)CC2)ccc1Nc1ccc(N)c([N+](=O)[O-])c1 ZINC001209935715 1039296168 /nfs/dbraw/zinc/29/61/68/1039296168.db2.gz CUWOOHAWSYPAAQ-UHFFFAOYSA-N 1 0 357.414 2.681 20 5 FFBDRO COc1ncc(Nc2ccc(OC3CC[NH+](C)CC3)cn2)cc1[N+](=O)[O-] ZINC001210137033 1039400082 /nfs/dbraw/zinc/40/00/82/1039400082.db2.gz SVDBDWFLTMNRMV-UHFFFAOYSA-N 1 0 359.386 2.610 20 5 FFBDRO COCCCN([C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC001246809900 1039489635 /nfs/dbraw/zinc/48/96/35/1039489635.db2.gz UDPFFTPKLDVBOC-RDJZCZTQSA-N 1 0 365.474 2.625 20 5 FFBDRO C[Si](C)(C)CCOC[NH2+][C@@H]1CCCN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001246898310 1039524402 /nfs/dbraw/zinc/52/44/02/1039524402.db2.gz YIVGWNOLHRKMLZ-ZACQAIPSSA-N 1 0 357.571 2.798 20 5 FFBDRO Cc1cccc(C[C@@H]([NH3+])Cc2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)c1 ZINC001248154742 1040150926 /nfs/dbraw/zinc/15/09/26/1040150926.db2.gz AKEZUIDMLMQOJA-CYBMUJFWSA-N 1 0 357.345 2.600 20 5 FFBDRO C[NH+](C)Cc1ccc(-c2noc([C@@H](N)Cc3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC001248210547 1040174591 /nfs/dbraw/zinc/17/45/91/1040174591.db2.gz SGIIOGGOAPPDCR-KRWDZBQOSA-N 1 0 367.409 2.949 20 5 FFBDRO COc1cc(F)ccc1-c1noc(C[C@H]([NH3+])Cc2ccc([N+](=O)[O-])cc2)n1 ZINC001248216317 1040177430 /nfs/dbraw/zinc/17/74/30/1040177430.db2.gz ONUVITIJVSZJDV-CYBMUJFWSA-N 1 0 372.356 2.905 20 5 FFBDRO COc1ccc(-c2noc(C[C@@H]([NH3+])c3cccc([N+](=O)[O-])c3)n2)cc1OC ZINC001249277327 1040664211 /nfs/dbraw/zinc/66/42/11/1040664211.db2.gz LWXQHYMIVSVDCF-CQSZACIVSA-N 1 0 370.365 2.905 20 5 FFBDRO O=C1NCc2ccccc2[C@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254468879 1040735161 /nfs/dbraw/zinc/73/51/61/1040735161.db2.gz PXSOTHLDBLAMIN-LJQANCHMSA-N 1 0 366.421 2.524 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H](CO)c3ccc(O)cc3)CC2)cc1 ZINC001254472747 1040738776 /nfs/dbraw/zinc/73/87/76/1040738776.db2.gz MFVXAIRZSCWOIM-IBGZPJMESA-N 1 0 357.410 2.592 20 5 FFBDRO CN1C[C@]2(CC1=O)CCCC[N@@H+]2C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254473827 1040739261 /nfs/dbraw/zinc/73/92/61/1040739261.db2.gz CCUPOUPAEGDSMR-HXUWFJFHSA-N 1 0 372.469 2.650 20 5 FFBDRO O=C1CCC[C@]2(CCC[N@@H+](C3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C2)N1 ZINC001254476447 1040743519 /nfs/dbraw/zinc/74/35/19/1040743519.db2.gz HYHVNVBAAMJSGC-HXUWFJFHSA-N 1 0 372.469 2.698 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CC[N@H+](Cc2ccccc2)[C@@H](CO)C1 ZINC001254550985 1040792546 /nfs/dbraw/zinc/79/25/46/1040792546.db2.gz UXMUGNRTCIOWSM-FXAWDEMLSA-N 1 0 369.465 2.705 20 5 FFBDRO CCOC[C@H]1C[N@@H+]([C@H](C)Cc2ccccc2[N+](=O)[O-])Cc2cn(C)nc21 ZINC001254563212 1040798837 /nfs/dbraw/zinc/79/88/37/1040798837.db2.gz XXFQMYIQXKAHJO-RHSMWYFYSA-N 1 0 358.442 2.895 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1C[C@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC001254560958 1040799736 /nfs/dbraw/zinc/79/97/36/1040799736.db2.gz IOPSDROTWBMVTC-YTQUADARSA-N 1 0 366.465 2.985 20 5 FFBDRO CCn1cc2c(n1)CN([C@H](C)Cc1ccccc1[N+](=O)[O-])C[C@H]2COC ZINC001254563400 1040802018 /nfs/dbraw/zinc/80/20/18/1040802018.db2.gz ZTFBPUOIJFQFPR-ZBFHGGJFSA-N 1 0 358.442 2.988 20 5 FFBDRO CC(C)(C)C(=O)N1CCC(C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254580017 1040811755 /nfs/dbraw/zinc/81/17/55/1040811755.db2.gz YSLKBHGDSNJPDC-QGZVFWFLSA-N 1 0 359.470 2.936 20 5 FFBDRO CCOC(=O)Cc1cccc(C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001254583734 1040816787 /nfs/dbraw/zinc/81/67/87/1040816787.db2.gz CXUGVVAYYHADFL-SFHVURJKSA-N 1 0 354.406 2.957 20 5 FFBDRO CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254593984 1040821622 /nfs/dbraw/zinc/82/16/22/1040821622.db2.gz OTMBFGDDTXMBHI-ULQDDVLXSA-N 1 0 359.426 2.756 20 5 FFBDRO COc1ccc(CN2CC[NH+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC2)cc1 ZINC001254598020 1040828017 /nfs/dbraw/zinc/82/80/17/1040828017.db2.gz GNBMOTDYZIUYQE-FQEVSTJZSA-N 1 0 367.449 2.888 20 5 FFBDRO O=C1N(CC2CC2)CC[C@]12CCC[N@@H+]([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254599397 1040830131 /nfs/dbraw/zinc/83/01/31/1040830131.db2.gz YURVOZWMEHPHSZ-CTNGQTDRSA-N 1 0 369.465 2.787 20 5 FFBDRO O=C([C@H]1CCC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1)N1CCCCC1 ZINC001254601384 1040832935 /nfs/dbraw/zinc/83/29/35/1040832935.db2.gz ZATBEAMGWYOION-QFBILLFUSA-N 1 0 357.454 2.787 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)n1 ZINC001537964484 1070305041 /nfs/dbraw/zinc/30/50/41/1070305041.db2.gz FYNVECPMSRUMQC-LJQANCHMSA-N 1 0 368.437 2.939 20 5 FFBDRO C[NH+]1CCN(c2cccc3[nH]c(Cc4ccc([N+](=O)[O-])cc4)nc32)CC1 ZINC001250606701 1041266335 /nfs/dbraw/zinc/26/63/35/1041266335.db2.gz DYXIUSCHPXUWRA-UHFFFAOYSA-N 1 0 351.410 2.814 20 5 FFBDRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)c1cc([N+](=O)[O-])cc2ccccc21 ZINC001261813686 1041432643 /nfs/dbraw/zinc/43/26/43/1041432643.db2.gz BUKJADFVYSYFFL-INIZCTEOSA-N 1 0 369.421 2.731 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC001214521507 1041465747 /nfs/dbraw/zinc/46/57/47/1041465747.db2.gz RXXVZAGXFBGWQG-CYBMUJFWSA-N 1 0 371.397 2.741 20 5 FFBDRO O=C(/C=C\[C@H]1CCC[NH2+]C1)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC001262044401 1041527506 /nfs/dbraw/zinc/52/75/06/1041527506.db2.gz GGHLNRCALOXYHA-ZTYXWKCZSA-N 1 0 368.231 2.529 20 5 FFBDRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC001263151072 1042134091 /nfs/dbraw/zinc/13/40/91/1042134091.db2.gz RIYLSHMZHPNORW-DBDQLMEASA-N 1 0 373.453 2.586 20 5 FFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC2(CCC[C@H]2C[NH3+])CC1 ZINC001263311249 1042235191 /nfs/dbraw/zinc/23/51/91/1042235191.db2.gz DRIPITKDZZKOPQ-AWEZNQCLSA-N 1 0 361.442 2.975 20 5 FFBDRO O=C(NC[C@H]1CCC[NH2+]CC1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001263322543 1042240201 /nfs/dbraw/zinc/24/02/01/1042240201.db2.gz QKLFXERRNZGNPL-LBPRGKRZSA-N 1 0 360.439 2.838 20 5 FFBDRO NC(=O)c1cc(NC(=O)c2ccc(C[NH+]3CCCCC3)o2)ccc1[N+](=O)[O-] ZINC001538348971 1070414895 /nfs/dbraw/zinc/41/48/95/1070414895.db2.gz CGMTTWQZGXJHOT-UHFFFAOYSA-N 1 0 372.381 2.525 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC001264339594 1042664738 /nfs/dbraw/zinc/66/47/38/1042664738.db2.gz OJZIRVVIZOBUKJ-UHFFFAOYSA-N 1 0 354.410 2.693 20 5 FFBDRO CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC001538547511 1070451289 /nfs/dbraw/zinc/45/12/89/1070451289.db2.gz ZECRQIFHYPLJTI-QGZVFWFLSA-N 1 0 358.442 2.738 20 5 FFBDRO Cc1ccc(NC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)cc1[N+](=O)[O-] ZINC001310095965 1043634740 /nfs/dbraw/zinc/63/47/40/1043634740.db2.gz CVOXGVHXVHWZLH-DZGCQCFKSA-N 1 0 350.444 2.605 20 5 FFBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001310520082 1043700852 /nfs/dbraw/zinc/70/08/52/1043700852.db2.gz VSZWXIMHVRJQHH-INIZCTEOSA-N 1 0 369.425 2.506 20 5 FFBDRO C[C@@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001280019778 1044095906 /nfs/dbraw/zinc/09/59/06/1044095906.db2.gz AHGQGEUVMZQTCZ-OCCSQVGLSA-N 1 0 364.402 2.838 20 5 FFBDRO CC[N@H+](CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCC1)C1CC1 ZINC001313805565 1044425353 /nfs/dbraw/zinc/42/53/53/1044425353.db2.gz KZIDHAPQEYUMCG-UHFFFAOYSA-N 1 0 370.457 2.938 20 5 FFBDRO O=C(N[C@H]1CC[C@H](C[NH2+]CCC2CCCCC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001280363040 1044641235 /nfs/dbraw/zinc/64/12/35/1044641235.db2.gz SLVSVSQIWXTRDY-BRSBDYLESA-N 1 0 351.491 2.887 20 5 FFBDRO C[N@@H+]1CCCC[C@@H]1CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001539394165 1070629399 /nfs/dbraw/zinc/62/93/99/1070629399.db2.gz CHTLTFITIYKEFU-CQSZACIVSA-N 1 0 360.439 2.932 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)c1ccc2c[nH+]cn2c1C ZINC001320183712 1045365416 /nfs/dbraw/zinc/36/54/16/1045365416.db2.gz PYQHZSFJPUWBJU-UHFFFAOYSA-N 1 0 368.349 2.655 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1ccc2c[nH+]cn2c1C ZINC001320468363 1045413462 /nfs/dbraw/zinc/41/34/62/1045413462.db2.gz KTEOJUBQDULNBE-UHFFFAOYSA-N 1 0 368.349 2.655 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001320810953 1045472569 /nfs/dbraw/zinc/47/25/69/1045472569.db2.gz KOVGDXARTWRMRB-OCCSQVGLSA-N 1 0 367.833 2.712 20 5 FFBDRO Cc1cnc(COC(=O)c2ccn(-c3ccncc3)n2)c(C)c1[N+](=O)[O-] ZINC001320929143 1045496384 /nfs/dbraw/zinc/49/63/84/1045496384.db2.gz UPYBBNDVNHSUEJ-UHFFFAOYSA-N 1 0 353.338 2.544 20 5 FFBDRO O=[N+]([O-])c1ccc2[nH]cc(Cc3nc([C@@H]4C[NH+]5CCC4CC5)no3)c2c1 ZINC001321124108 1045554979 /nfs/dbraw/zinc/55/49/79/1045554979.db2.gz OJMWWILNJJQTRW-OAHLLOKOSA-N 1 0 353.382 2.859 20 5 FFBDRO CO[C@]1(C)C[C@@H]([NH2+]CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1(C)C ZINC001324502112 1046068788 /nfs/dbraw/zinc/06/87/88/1046068788.db2.gz GEBFGUZLXARVFD-CZUORRHYSA-N 1 0 355.822 2.980 20 5 FFBDRO Cc1cncc([N+](=O)[O-])c1N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC001322462549 1046094014 /nfs/dbraw/zinc/09/40/14/1046094014.db2.gz BLUFRSCNGQHTIP-UHFFFAOYSA-N 1 0 355.442 2.557 20 5 FFBDRO O=C(c1ccncc1)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC001325013493 1046335498 /nfs/dbraw/zinc/33/54/98/1046335498.db2.gz PLWYIVDZSBXKIH-UHFFFAOYSA-N 1 0 358.373 2.523 20 5 FFBDRO COCC[C@@H](CO)[NH2+]Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001325129206 1046384736 /nfs/dbraw/zinc/38/47/36/1046384736.db2.gz RNJHNMCSHYFJNG-LBPRGKRZSA-N 1 0 354.790 2.995 20 5 FFBDRO C[NH2+][C@H](C)CCNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC001326077423 1046755775 /nfs/dbraw/zinc/75/57/75/1046755775.db2.gz YJUOXEONNSUVDM-SNVBAGLBSA-N 1 0 359.376 2.687 20 5 FFBDRO O=C1COc2ccccc2N1CC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC001326560379 1046979716 /nfs/dbraw/zinc/97/97/16/1046979716.db2.gz FVTPJTVXNRELFJ-QGZVFWFLSA-N 1 0 367.405 2.987 20 5 FFBDRO C[C@@H](CC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)N(C)C(=O)OC(C)(C)C ZINC001326599438 1046994707 /nfs/dbraw/zinc/99/47/07/1046994707.db2.gz NUNADQJFFLPNSJ-BBRMVZONSA-N 1 0 367.446 2.863 20 5 FFBDRO O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001540412472 1070883115 /nfs/dbraw/zinc/88/31/15/1070883115.db2.gz SKCNOGLUXHPSBC-GFCCVEGCSA-N 1 0 363.805 2.538 20 5 FFBDRO C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1C(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001289292478 1047619168 /nfs/dbraw/zinc/61/91/68/1047619168.db2.gz FKLVPLXHQZNFFU-KCYZZUKISA-N 1 0 372.469 2.967 20 5 FFBDRO Cc1ccc(NC(=O)[C@]2(O)CCC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC001540600344 1070944862 /nfs/dbraw/zinc/94/48/62/1070944862.db2.gz IWVLLBHILKNKOQ-FQEVSTJZSA-N 1 0 369.421 2.869 20 5 FFBDRO O=C(c1ccccc1)N1CCC[C@@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001331962484 1048188780 /nfs/dbraw/zinc/18/87/80/1048188780.db2.gz IADKBPMQNGELSM-MJGOQNOKSA-N 1 0 369.421 2.523 20 5 FFBDRO COC(=O)C1CC[NH+](CCCNc2ncc([N+](=O)[O-])c3ccccc32)CC1 ZINC001332198379 1048297197 /nfs/dbraw/zinc/29/71/97/1048297197.db2.gz WLRVLKAWLPNLOB-UHFFFAOYSA-N 1 0 372.425 2.830 20 5 FFBDRO CCC1([NH+]2CCC2)CCN(S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])CC1 ZINC001334021245 1049206803 /nfs/dbraw/zinc/20/68/03/1049206803.db2.gz RQEYQWOOUAWQBG-UHFFFAOYSA-N 1 0 373.500 2.604 20 5 FFBDRO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC001331007926 1049435806 /nfs/dbraw/zinc/43/58/06/1049435806.db2.gz OXIITRYMFNDFRH-LJQANCHMSA-N 1 0 358.442 2.775 20 5 FFBDRO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC001341541857 1050170815 /nfs/dbraw/zinc/17/08/15/1050170815.db2.gz YESRGDIDQFENIR-SWLSCSKDSA-N 1 0 351.834 2.781 20 5 FFBDRO NC(=O)N[C@H]1CC[N@H+](Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC001341604388 1050230489 /nfs/dbraw/zinc/23/04/89/1050230489.db2.gz IWLHMWASNJERPN-NSHDSACASA-N 1 0 364.789 2.751 20 5 FFBDRO O=C(N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)C1(C2CC[NH2+]CC2)CC1 ZINC001339972528 1050386899 /nfs/dbraw/zinc/38/68/99/1050386899.db2.gz GZZHSDXOWHNDRZ-UHFFFAOYSA-N 1 0 373.453 2.744 20 5 FFBDRO C[C@@H]1[NH2+]CCn2c(C(=O)N(Cc3ccc([N+](=O)[O-])cc3)C3CC3)ccc21 ZINC001340180383 1050586835 /nfs/dbraw/zinc/58/68/35/1050586835.db2.gz NDSLLYIJWYEROS-ZDUSSCGKSA-N 1 0 354.410 2.865 20 5 FFBDRO COc1cccc(C(=O)Nc2cc(N3CC[NH+](C)CC3)ccc2[N+](=O)[O-])c1 ZINC001340882554 1051215287 /nfs/dbraw/zinc/21/52/87/1051215287.db2.gz QOSYDNVSLSSQDM-UHFFFAOYSA-N 1 0 370.409 2.608 20 5 FFBDRO COc1cc(C(=O)N2C[C@H](CC[NH3+])c3ccccc32)c([N+](=O)[O-])cc1OC ZINC001340901066 1051227936 /nfs/dbraw/zinc/22/79/36/1051227936.db2.gz QTXWURRJFUIBCZ-LBPRGKRZSA-N 1 0 371.393 2.705 20 5 FFBDRO [NH3+]CC[C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)c2ccccc21 ZINC001340913554 1051242574 /nfs/dbraw/zinc/24/25/74/1051242574.db2.gz SHZKMBWGQKBNTQ-GFCCVEGCSA-N 1 0 359.357 2.592 20 5 FFBDRO Cc1nnc(N(C)CCc2ccccc2[N+](=O)[O-])n1C[C@H](C)[N@H+](C)C1CC1 ZINC001304796817 1051703202 /nfs/dbraw/zinc/70/32/02/1051703202.db2.gz IOPMYLQJFLOTGW-AWEZNQCLSA-N 1 0 372.473 2.656 20 5 FFBDRO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CC[NH+](C2CCCCC2)CC1 ZINC001307075635 1052247708 /nfs/dbraw/zinc/24/77/08/1052247708.db2.gz YJUCRUXIZKPYDM-UHFFFAOYSA-N 1 0 361.368 2.802 20 5 FFBDRO COc1ccc(NC(=O)N2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC001345094953 1052253598 /nfs/dbraw/zinc/25/35/98/1052253598.db2.gz CSXJPHMHLIBUEC-IHRRRGAJSA-N 1 0 362.430 2.797 20 5 FFBDRO C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC001339267976 1052255506 /nfs/dbraw/zinc/25/55/06/1052255506.db2.gz YQYXDNUOEKBUTE-LLVKDONJSA-N 1 0 356.220 2.571 20 5 FFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](C[C@H]3COC4(CCCCC4)O3)C2)nc1 ZINC001307544206 1052319671 /nfs/dbraw/zinc/31/96/71/1052319671.db2.gz DPRQZOCNYYDXKJ-ZBFHGGJFSA-N 1 0 362.430 2.552 20 5 FFBDRO CC(C)[C@H]([NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C(C)(C)O ZINC001307752620 1052345822 /nfs/dbraw/zinc/34/58/22/1052345822.db2.gz QHPZYFBHXLJMKN-YGRLFVJLSA-N 1 0 357.838 2.960 20 5 FFBDRO COc1ccc(OCC[N@@H+](C)[C@@H]2C[C@H](OC)C23CCC3)c([N+](=O)[O-])c1 ZINC001307772093 1052348379 /nfs/dbraw/zinc/34/83/79/1052348379.db2.gz QOBSCICIJDJVLT-SJORKVTESA-N 1 0 350.415 2.872 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCc1ncc(C(=O)OC)s1 ZINC001308537145 1052466000 /nfs/dbraw/zinc/46/60/00/1052466000.db2.gz ASCVIZKRFCSJBA-UHFFFAOYSA-N 1 0 365.411 2.569 20 5 FFBDRO COCC[NH+]1CCC(OC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC001344079005 1052583505 /nfs/dbraw/zinc/58/35/05/1052583505.db2.gz KWXYVGNCIPGQRV-UHFFFAOYSA-N 1 0 370.833 2.835 20 5 FFBDRO COc1ccc(NC(=O)NCC[N@H+](C)C2CCCCC2)c([N+](=O)[O-])c1 ZINC001344750398 1052914885 /nfs/dbraw/zinc/91/48/85/1052914885.db2.gz XFLVVYRPMGBBBM-UHFFFAOYSA-N 1 0 350.419 2.989 20 5 FFBDRO Cc1cc(NC(=O)N2CCC(C)([NH+]3CCOCC3)CC2)cc([N+](=O)[O-])c1 ZINC001346658925 1053193405 /nfs/dbraw/zinc/19/34/05/1053193405.db2.gz YSEWZHMAYRJHMU-UHFFFAOYSA-N 1 0 362.430 2.622 20 5 FFBDRO O=[N+]([O-])c1ccc(CN2CC[NH+](CCCF)CC2)c(Br)c1 ZINC001348245529 1054570292 /nfs/dbraw/zinc/57/02/92/1054570292.db2.gz AWTQSFBHRGIFBB-UHFFFAOYSA-N 1 0 360.227 2.835 20 5 FFBDRO O=C(O[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 ZINC001348361232 1054653033 /nfs/dbraw/zinc/65/30/33/1054653033.db2.gz CDDMLAZHDRTAMF-AEFFLSMTSA-N 1 0 370.409 2.623 20 5 FFBDRO CC[NH+](CC)CC[C@H](C)NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC001348856477 1054964640 /nfs/dbraw/zinc/96/46/40/1054964640.db2.gz RRCQLADCVKAPIF-AWEZNQCLSA-N 1 0 359.430 2.631 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)Cc3ccc([N+](=O)[O-])cc3Cl)C[C@@H]2C1 ZINC001337907144 1055094492 /nfs/dbraw/zinc/09/44/92/1055094492.db2.gz KMMUTGQSVRCTQP-SOUVJXGZSA-N 1 0 365.861 2.979 20 5 FFBDRO COc1cc([N+](=O)[O-])cnc1NCC1CC[NH+](Cc2ccncc2)CC1 ZINC001352064587 1055164671 /nfs/dbraw/zinc/16/46/71/1055164671.db2.gz JQJVXIPSDOSLJW-UHFFFAOYSA-N 1 0 357.414 2.718 20 5 FFBDRO Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1 ZINC001356194675 1055372362 /nfs/dbraw/zinc/37/23/62/1055372362.db2.gz MWIHJAUBWRXMJI-HRCADAONSA-N 1 0 370.457 2.557 20 5 FFBDRO C[N@@H+]1C[C@@H]2CC[C@H](Nc3ccc([N+](=O)[O-])c(C(=O)N4CCCC4)c3)[C@H]2C1 ZINC001338298998 1055400001 /nfs/dbraw/zinc/40/00/01/1055400001.db2.gz XVCCKHMVKCFHQA-JQFCIGGWSA-N 1 0 358.442 2.583 20 5 FFBDRO C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001338334985 1055427392 /nfs/dbraw/zinc/42/73/92/1055427392.db2.gz IBSBOSJDODELGJ-BVUBDWEXSA-N 1 0 358.442 2.577 20 5 FFBDRO C[NH2+]C[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC001349860534 1055504468 /nfs/dbraw/zinc/50/44/68/1055504468.db2.gz GUPSNAMERAYIPZ-LLVKDONJSA-N 1 0 356.220 2.571 20 5 FFBDRO CCC1([NH3+])CCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC001349883477 1055519672 /nfs/dbraw/zinc/51/96/72/1055519672.db2.gz JBQGPAQNJLZEDP-UHFFFAOYSA-N 1 0 356.220 2.701 20 5 FFBDRO CCN(C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H]1CC[NH2+]C1 ZINC001350205569 1055674638 /nfs/dbraw/zinc/67/46/38/1055674638.db2.gz YWATZVJKZMCXCH-GFCCVEGCSA-N 1 0 360.336 2.507 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[N@@H+](C)[C@@H](C(C)(C)C)C2)c1 ZINC001300097455 1055748469 /nfs/dbraw/zinc/74/84/69/1055748469.db2.gz OGSCYWQRYQKYTB-QGZVFWFLSA-N 1 0 363.458 2.861 20 5 FFBDRO O=C([C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC001357618206 1055965269 /nfs/dbraw/zinc/96/52/69/1055965269.db2.gz CZVSUDWGUFILEV-IPMKNSEASA-N 1 0 351.406 2.871 20 5 FFBDRO C[N@@H+]1CCCC[C@H]1CNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC001339038203 1056037047 /nfs/dbraw/zinc/03/70/47/1056037047.db2.gz SDKGEBHQPKGFHX-JTQLQIEISA-N 1 0 356.220 2.571 20 5 FFBDRO CCn1c(C2CC[NH+](C)CC2)nnc1N(C)Cc1ccccc1[N+](=O)[O-] ZINC001339271089 1056273636 /nfs/dbraw/zinc/27/36/36/1056273636.db2.gz RGUTWJLCEPLLSZ-UHFFFAOYSA-N 1 0 358.446 2.652 20 5 FFBDRO Cc1ccc([C@H](C)NC(=O)[C@@H]2CC[NH2+][C@H]([C@H]3CCCO3)C2)cc1[N+](=O)[O-] ZINC001353418928 1056384440 /nfs/dbraw/zinc/38/44/40/1056384440.db2.gz HMILFAYHKGYFST-JXSMBQFASA-N 1 0 361.442 2.628 20 5 FFBDRO CC(C)[N@@H+]1CC[C@@H](C(=O)Oc2cccc([N+](=O)[O-])c2)[C@H](c2cnn(C)c2)C1 ZINC000849487692 1056872940 /nfs/dbraw/zinc/87/29/40/1056872940.db2.gz FBLCPNPGHVWRPG-MSOLQXFVSA-N 1 0 372.425 2.748 20 5 FFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([NH2+]CCCc2ccccc2Cl)CC1 ZINC001200471826 1058300654 /nfs/dbraw/zinc/30/06/54/1058300654.db2.gz JNVRLBKBTLYNGF-NVXWUHKLSA-N 1 0 365.861 2.518 20 5 FFBDRO Cc1n[nH]c(C(=O)N[C@H]2c3ccccc3CC[C@H]2[NH+]2CCCC2)c1[N+](=O)[O-] ZINC001452104436 1059183272 /nfs/dbraw/zinc/18/32/72/1059183272.db2.gz DZVHPLVCAXRZNR-CVEARBPZSA-N 1 0 369.425 2.508 20 5 FFBDRO Cc1cccc(C[N@@H+]2CC[C@H](NC(=O)Cc3cccc(F)c3[N+](=O)[O-])C2)c1 ZINC001454307533 1059494763 /nfs/dbraw/zinc/49/47/63/1059494763.db2.gz CJVDAZOVADWSRN-KRWDZBQOSA-N 1 0 371.412 2.976 20 5 FFBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)CCC(C)(F)F)c2)CC1 ZINC001355082043 1059871094 /nfs/dbraw/zinc/87/10/94/1059871094.db2.gz SWAOFGDZPBLELW-UHFFFAOYSA-N 1 0 356.373 2.721 20 5 FFBDRO CC(C)[N@H+](CCO)CC1CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC001515988909 1059922686 /nfs/dbraw/zinc/92/26/86/1059922686.db2.gz MYPXWYVMRSQTLJ-UHFFFAOYSA-N 1 0 356.854 2.562 20 5 FFBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000848487459 1060138963 /nfs/dbraw/zinc/13/89/63/1060138963.db2.gz VFBLVPDCFPDNHX-WBVHZDCISA-N 1 0 355.442 2.974 20 5 FFBDRO [NH3+]C[C@]12CC[C@@H]1CCCN2C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC001355338004 1060146538 /nfs/dbraw/zinc/14/65/38/1060146538.db2.gz CNBXJQJLURNULH-MEDUHNTESA-N 1 0 355.797 2.660 20 5 FFBDRO CCC(C)(C)[NH+]1CCN(CN2CC[C@H](c3ccc([N+](=O)[O-])cc3)C2=O)CC1 ZINC000848498472 1060174435 /nfs/dbraw/zinc/17/44/35/1060174435.db2.gz UADUFADWZBSRPO-GOSISDBHSA-N 1 0 374.485 2.674 20 5 FFBDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC001516858513 1060252496 /nfs/dbraw/zinc/25/24/96/1060252496.db2.gz QYHYYGSMXAUCTL-MRXNPFEDSA-N 1 0 363.458 2.785 20 5 FFBDRO CC(C)(C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])[C@@H]1COCC12OCCO2 ZINC000848552820 1060267818 /nfs/dbraw/zinc/26/78/18/1060267818.db2.gz NYHWQQDVPBUUCB-RDJZCZTQSA-N 1 0 362.426 2.587 20 5 FFBDRO CC(C)[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001457091754 1060274424 /nfs/dbraw/zinc/27/44/24/1060274424.db2.gz ZOVWMKGFIARFCA-RHSMWYFYSA-N 1 0 371.441 2.806 20 5 FFBDRO CC[NH+](CC)CC[C@@H](C)NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC001521001875 1060292874 /nfs/dbraw/zinc/29/28/74/1060292874.db2.gz ZAGFQNPQTXESLW-CQSZACIVSA-N 1 0 359.430 2.631 20 5 FFBDRO CC[NH+](CC)CC[C@H](C)NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC001521001873 1060293650 /nfs/dbraw/zinc/29/36/50/1060293650.db2.gz ZAGFQNPQTXESLW-AWEZNQCLSA-N 1 0 359.430 2.631 20 5 FFBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(F)(F)Oc3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000848585179 1060314416 /nfs/dbraw/zinc/31/44/16/1060314416.db2.gz MVHKJARKJBATEW-IUODEOHRSA-N 1 0 369.368 2.509 20 5 FFBDRO O=[N+]([O-])c1cccc2ncnc(N3CC[NH2+][C@@H](Cc4ccc(F)cc4)C3)c21 ZINC001458726220 1060654855 /nfs/dbraw/zinc/65/48/55/1060654855.db2.gz PPBCYJSJAOUXBR-HNNXBMFYSA-N 1 0 367.384 2.698 20 5 FFBDRO COC(=O)C(C)(C)C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])CC(C)C ZINC001460697094 1061066140 /nfs/dbraw/zinc/06/61/40/1061066140.db2.gz TVDUFNMCMCUISC-UHFFFAOYSA-N 1 0 365.430 2.691 20 5 FFBDRO COc1cccc2c1CC[C@@]2(CO)[NH2+]CCCOc1ccc([N+](=O)[O-])cc1 ZINC001460697304 1061066933 /nfs/dbraw/zinc/06/69/33/1061066933.db2.gz VJVIMCHIGGBFRW-FQEVSTJZSA-N 1 0 372.421 2.796 20 5 FFBDRO [NH3+][C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C[C@H]1c1cccc(F)c1 ZINC001521705983 1061085876 /nfs/dbraw/zinc/08/58/76/1061085876.db2.gz JADYASSVJFYNHS-YDZRNGNQSA-N 1 0 369.396 2.791 20 5 FFBDRO O=C1[C@H]([N@@H+]2CCC[C@H](C3CCOCC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC001460834767 1061121705 /nfs/dbraw/zinc/12/17/05/1061121705.db2.gz NNBYRLLFUFTTAV-QFBILLFUSA-N 1 0 373.453 2.839 20 5 FFBDRO C[C@H]([NH2+][C@H]1CCOC12CCOCC2)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001460915699 1061149084 /nfs/dbraw/zinc/14/90/84/1061149084.db2.gz JHLKOUTVHHQBBY-WFASDCNBSA-N 1 0 374.397 2.634 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCO[C@@H](c2ccccc2)CC1 ZINC001460950447 1061163271 /nfs/dbraw/zinc/16/32/71/1061163271.db2.gz QJOYLRZOCFTFAW-PKOBYXMFSA-N 1 0 372.421 2.798 20 5 FFBDRO O=C(CN1CCCC[C@]12CCCOC2)N1CCc2cc([N+](=O)[O-])ccc21 ZINC001460982699 1061177085 /nfs/dbraw/zinc/17/70/85/1061177085.db2.gz XOFKFUWRVINFOD-LJQANCHMSA-N 1 0 359.426 2.519 20 5 FFBDRO CO[C@]1(C[NH2+]Cc2c(Br)cccc2[N+](=O)[O-])CCSC1 ZINC001461781916 1061405638 /nfs/dbraw/zinc/40/56/38/1061405638.db2.gz XJVGPUJGMZHLQU-ZDUSSCGKSA-N 1 0 361.261 2.969 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])s1)N1C[C@@H](C[C@@H]2COCC[NH2+]2)c2ccccc21 ZINC001523288236 1062425667 /nfs/dbraw/zinc/42/56/67/1062425667.db2.gz WYTNUFAHQMBKHF-CHWSQXEVSA-N 1 0 373.434 2.779 20 5 FFBDRO CC[NH+](CC)CCOc1ccccc1NC(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001464200163 1062480260 /nfs/dbraw/zinc/48/02/60/1062480260.db2.gz QATNLISQTNHOLY-UHFFFAOYSA-N 1 0 373.413 2.545 20 5 FFBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCC2(CCC[C@@H]2C[NH3+])CC1 ZINC001524076985 1062714615 /nfs/dbraw/zinc/71/46/15/1062714615.db2.gz AVGPEPQJHSMVER-CQSZACIVSA-N 1 0 360.458 2.642 20 5 FFBDRO CC[NH+]1CCN(c2cc(N(C)C(=O)[C@@H]3CC3(C)C)cc([N+](=O)[O-])c2)CC1 ZINC001438315686 1062984097 /nfs/dbraw/zinc/98/40/97/1062984097.db2.gz NUXJKYSTPZTTCP-KRWDZBQOSA-N 1 0 360.458 2.746 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)n1 ZINC001532353681 1063043106 /nfs/dbraw/zinc/04/31/06/1063043106.db2.gz SWNRAAXAHSFCSO-UHFFFAOYSA-N 1 0 358.398 2.628 20 5 FFBDRO CC1CC[NH+](C2CCC(NC(=O)c3ccc([N+](=O)[O-])cc3N)CC2)CC1 ZINC001466309273 1063391812 /nfs/dbraw/zinc/39/18/12/1063391812.db2.gz SPZVPAFSCDUCSJ-UHFFFAOYSA-N 1 0 360.458 2.950 20 5 FFBDRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC001467033114 1063620729 /nfs/dbraw/zinc/62/07/29/1063620729.db2.gz SERXBHLXRPUWQO-UHFFFAOYSA-N 1 0 357.414 2.903 20 5 FFBDRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)Nc1ccc([N+](=O)[O-])c2ccccc12 ZINC001467548686 1063777985 /nfs/dbraw/zinc/77/79/85/1063777985.db2.gz UNSJGDYHXKYREI-KBPBESRZSA-N 1 0 370.409 2.733 20 5 FFBDRO Cc1cccc(C[N@@H+]2CC[C@@H](NC(=O)COc3cccc([N+](=O)[O-])c3)C2)c1 ZINC001470710395 1064420887 /nfs/dbraw/zinc/42/08/87/1064420887.db2.gz CTWJHLUFDXKYSW-QGZVFWFLSA-N 1 0 369.421 2.673 20 5 FFBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N1CC2(C1)C[NH+](Cc1ccccc1)C2 ZINC001471090788 1064555561 /nfs/dbraw/zinc/55/55/61/1064555561.db2.gz GSHSDQIKADDRGH-UHFFFAOYSA-N 1 0 365.433 2.872 20 5 FFBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCCCC[C@H]([NH3+])C1 ZINC001575071061 1078102366 /nfs/dbraw/zinc/10/23/66/1078102366.db2.gz GRIIUFCDZWVDIF-RYUDHWBXSA-N 1 0 354.838 2.779 20 5 FFBDRO CC(C)[C@H]([NH3+])Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H]2CCC[C@H]21 ZINC001575458237 1078142546 /nfs/dbraw/zinc/14/25/46/1078142546.db2.gz CWRPFTILWFVOOD-USXIJHARSA-N 1 0 370.457 2.825 20 5 FFBDRO COC(=O)c1cnc(N[C@H]2CC[N@H+](Cc3ccc(C)cc3)C2)c([N+](=O)[O-])c1 ZINC001472859586 1065160456 /nfs/dbraw/zinc/16/04/56/1065160456.db2.gz LJLHYNJIEWHFDU-INIZCTEOSA-N 1 0 370.409 2.771 20 5 FFBDRO COc1ccc2c(c1)C[C@H](C[NH+]1CCN(c3cccc([N+](=O)[O-])c3)CC1)O2 ZINC001473105469 1065201168 /nfs/dbraw/zinc/20/11/68/1065201168.db2.gz KXDCUBQRBXDEDJ-LJQANCHMSA-N 1 0 369.421 2.729 20 5 FFBDRO CCC[C@H]1CCC[N@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001473260486 1065230930 /nfs/dbraw/zinc/23/09/30/1065230930.db2.gz XLVWUWCNCLAVFC-KRWDZBQOSA-N 1 0 374.485 2.756 20 5 FFBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1cc(-c2nn[nH]n2)ccc1[N+](=O)[O-] ZINC001575969131 1078182778 /nfs/dbraw/zinc/18/27/78/1078182778.db2.gz IZGUHVWIDGVQFT-UPJWGTAASA-N 1 0 359.434 2.553 20 5 FFBDRO COC(=O)CC[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001473767810 1065353066 /nfs/dbraw/zinc/35/30/66/1065353066.db2.gz NDQYNFRSGCODTP-KGLIPLIRSA-N 1 0 363.414 2.587 20 5 FFBDRO C[C@@H]([NH3+])CN(C)C(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC001576149369 1078200756 /nfs/dbraw/zinc/20/07/56/1078200756.db2.gz GXWLNKLBDXIQAN-CHWSQXEVSA-N 1 0 357.414 2.582 20 5 FFBDRO CC1(C)CCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCC[NH3+] ZINC001576434046 1078228273 /nfs/dbraw/zinc/22/82/73/1078228273.db2.gz NJDCGBZSMIBBIC-UHFFFAOYSA-N 1 0 358.446 2.971 20 5 FFBDRO CC(C)[C@H]([NH3+])Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](C)C1 ZINC001576739403 1078268673 /nfs/dbraw/zinc/26/86/73/1078268673.db2.gz ZQEGGHRPBCGPEC-XJKSGUPXSA-N 1 0 358.446 2.683 20 5 FFBDRO CCC[NH2+]CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H]2CCC[C@@H]21 ZINC001577561588 1078376426 /nfs/dbraw/zinc/37/64/26/1078376426.db2.gz FEVPCIMVDVRZRG-WBVHZDCISA-N 1 0 370.457 2.842 20 5 FFBDRO CN(CC1CCC1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCC[NH2+]1 ZINC001578450361 1078474855 /nfs/dbraw/zinc/47/48/55/1078474855.db2.gz MDKCUUSQHVCLLD-INIZCTEOSA-N 1 0 370.457 2.842 20 5 FFBDRO C[NH2+][C@@H](CNc1cc(C)c([N+](=O)[O-])cc1C(=O)OC)Cc1ccccc1 ZINC001578591113 1078496245 /nfs/dbraw/zinc/49/62/45/1078496245.db2.gz DNAHJOCJBNXMEH-OAHLLOKOSA-N 1 0 357.410 2.932 20 5 FFBDRO C[NH2+]C[C@@H]1CCCCN1C(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC001578730319 1078523961 /nfs/dbraw/zinc/52/39/61/1078523961.db2.gz NGKNWWBIJYTETQ-NSHDSACASA-N 1 0 356.220 2.571 20 5 FFBDRO COc1ccc(C)cc1[C@@H](C)NC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC001579198493 1078586499 /nfs/dbraw/zinc/58/64/99/1078586499.db2.gz WLFFQBSRLYDPQZ-YJYMSZOUSA-N 1 0 357.410 2.963 20 5 FFBDRO COc1ccc([C@H]2C[NH2+]CCN2C(=O)c2cc(C)cc([N+](=O)[O-])c2)cc1 ZINC001579203049 1078587436 /nfs/dbraw/zinc/58/74/36/1078587436.db2.gz MNZPOIHLMFCMGA-GOSISDBHSA-N 1 0 355.394 2.699 20 5 FFBDRO COc1ccc(CNC[C@@H]2CC[NH2+]2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC001579216489 1078591786 /nfs/dbraw/zinc/59/17/86/1078591786.db2.gz XBWPMPHPCUTWOL-INIZCTEOSA-N 1 0 357.410 2.634 20 5 FFBDRO COc1ccccc1[C@H]([NH3+])CNC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001579301302 1078613836 /nfs/dbraw/zinc/61/38/36/1078613836.db2.gz JMXBAJIWXXLAKV-GVDBMIGSSA-N 1 0 355.394 2.523 20 5 FFBDRO CSCC1CCC(NC(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)CC1 ZINC001579370624 1078622202 /nfs/dbraw/zinc/62/22/02/1078622202.db2.gz PAWXBTBBZHGHEN-AJUCZRQESA-N 1 0 351.472 2.807 20 5 FFBDRO C[C@@H]1CN(C(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])C[C@H]1CC[NH3+] ZINC001579438563 1078630021 /nfs/dbraw/zinc/63/00/21/1078630021.db2.gz WAZWLJMNSRHXAH-UKRRQHHQSA-N 1 0 354.410 2.714 20 5 FFBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC2(CC1)C[NH2+]Cc1ccccc1O2 ZINC001579642779 1078653436 /nfs/dbraw/zinc/65/34/36/1078653436.db2.gz VOQSTRZAFXCECU-UHFFFAOYSA-N 1 0 354.410 2.819 20 5 FFBDRO Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC001579827640 1078692191 /nfs/dbraw/zinc/69/21/91/1078692191.db2.gz MPMMQFAFFBBGNQ-CZUORRHYSA-N 1 0 357.414 2.515 20 5 FFBDRO [NH3+]Cc1ccccc1NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1 ZINC001580347084 1078789432 /nfs/dbraw/zinc/78/94/32/1078789432.db2.gz KLKYFYVAKZGISM-UHFFFAOYSA-N 1 0 355.329 2.631 20 5 FFBDRO O=[N+]([O-])c1ccc(Br)c(CN2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC001580875042 1078881982 /nfs/dbraw/zinc/88/19/82/1078881982.db2.gz VQSFITSBMRWITB-HNNXBMFYSA-N 1 0 354.248 2.933 20 5 FFBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC001559255626 1076140195 /nfs/dbraw/zinc/14/01/95/1076140195.db2.gz YBYQXLDZMSUXFL-HOCLYGCPSA-N 1 0 368.437 2.874 20 5 FFBDRO COc1ccccc1C[C@@](C)(CO)[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC001560102124 1076227255 /nfs/dbraw/zinc/22/72/55/1076227255.db2.gz FCPWYUXQXUHSQJ-IBGZPJMESA-N 1 0 360.410 2.566 20 5 FFBDRO Cc1c(C[NH2+][C@@H]2CC(=O)N(CCOc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC001560350093 1076266426 /nfs/dbraw/zinc/26/64/26/1076266426.db2.gz IEXNKLOBIGGITA-QGZVFWFLSA-N 1 0 369.421 2.673 20 5 FFBDRO COc1c(O)ccc(C[NH2+][C@](C)(CO)Cc2ccc(F)cc2)c1[N+](=O)[O-] ZINC001560954669 1076313468 /nfs/dbraw/zinc/31/34/68/1076313468.db2.gz YVDSSPDKBUUPBM-SFHVURJKSA-N 1 0 364.373 2.531 20 5 FFBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCC1CC[NH+](C(C)C)CC1 ZINC001561796790 1076424604 /nfs/dbraw/zinc/42/46/04/1076424604.db2.gz MNXLEXKNNMQPHY-UHFFFAOYSA-N 1 0 369.487 2.692 20 5 FFBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)N[C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC001562587475 1076505937 /nfs/dbraw/zinc/50/59/37/1076505937.db2.gz GDGPNEHVTAUEHQ-DYVFJYSZSA-N 1 0 357.414 2.533 20 5 FFBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)NC3CC4(CCC4)C3)c2)CC1 ZINC001563310531 1076541031 /nfs/dbraw/zinc/54/10/31/1076541031.db2.gz ZLXKSZGHAROLFE-UHFFFAOYSA-N 1 0 373.457 2.801 20 5 FFBDRO C[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ccc(-c2ccsc2)cc1 ZINC001567281884 1077011324 /nfs/dbraw/zinc/01/13/24/1077011324.db2.gz XBWLXRIGXHHXAI-IAGOWNOFSA-N 1 0 359.451 2.628 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1[C@H](C)C[N@H+](C)[C@H](C)[C@H]1C ZINC001586370756 1079613728 /nfs/dbraw/zinc/61/37/28/1079613728.db2.gz LHTHYIIXTJIVCQ-LPWJVIDDSA-N 1 0 369.849 2.955 20 5 FFBDRO Cc1cc(OCC(=O)NCCC2CC[NH+](C(C)C)CC2)ccc1[N+](=O)[O-] ZINC001587313984 1079771272 /nfs/dbraw/zinc/77/12/72/1079771272.db2.gz IDMNWXZWJOUCBH-UHFFFAOYSA-N 1 0 363.458 2.909 20 5 FFBDRO CN(C(=O)c1ccc([N+](=O)[O-])cc1N)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001587795166 1079866047 /nfs/dbraw/zinc/86/60/47/1079866047.db2.gz VVCFUCXBCDCULQ-QGZVFWFLSA-N 1 0 368.437 2.914 20 5 FFBDRO CC(C)CCOC1CC[NH+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])CC1 ZINC001589606695 1080632315 /nfs/dbraw/zinc/63/23/15/1080632315.db2.gz CNWPGVWOGXHNCU-UHFFFAOYSA-N 1 0 374.445 2.802 20 5 FFBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NC3CC[NH+](C)CC3)cc2[N+](=O)[O-])C1 ZINC000031224305 249361212 /nfs/dbraw/zinc/36/12/12/249361212.db2.gz CVWIADLKRGMWBQ-HUUCEWRRSA-N 1 0 374.485 2.901 20 5 FFBDRO CC[C@H]([NH2+][C@H](C)C(=O)Nc1ccc(C(N)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000090068460 249889451 /nfs/dbraw/zinc/88/94/51/249889451.db2.gz AWKDDHGRSDARFN-PXAZEXFGSA-N 1 0 370.409 2.762 20 5 FFBDRO CCC1(CO)CC[NH+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000093591454 250038585 /nfs/dbraw/zinc/03/85/85/250038585.db2.gz QHKKOORYTXYKGX-UHFFFAOYSA-N 1 0 358.442 2.980 20 5 FFBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000131723937 251014922 /nfs/dbraw/zinc/01/49/22/251014922.db2.gz KVJAICNDUHAFFM-MRXNPFEDSA-N 1 0 356.426 2.705 20 5 FFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000132069559 251043422 /nfs/dbraw/zinc/04/34/22/251043422.db2.gz BJIRFTRBOMWVHL-KSSFIOAISA-N 1 0 357.410 2.505 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)CCc1ccccn1 ZINC000152931249 251083252 /nfs/dbraw/zinc/08/32/52/251083252.db2.gz KOARCKKDJSIKQG-UHFFFAOYSA-N 1 0 358.398 2.502 20 5 FFBDRO CCOc1ccc([C@H](C)[NH2+]C2CCN(C(=O)OC)CC2)cc1[N+](=O)[O-] ZINC000153177217 251109853 /nfs/dbraw/zinc/10/98/53/251109853.db2.gz FSDITKDOCBJWQJ-LBPRGKRZSA-N 1 0 351.403 2.875 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000186784275 251263472 /nfs/dbraw/zinc/26/34/72/251263472.db2.gz WTCOCSZVBGHOMR-UHFFFAOYSA-N 1 0 350.419 2.845 20 5 FFBDRO NC(=O)c1ccc(C[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000181183942 251253161 /nfs/dbraw/zinc/25/31/61/251253161.db2.gz PZFVUFMVGXKASO-KBXCAEBGSA-N 1 0 369.421 2.951 20 5 FFBDRO C[NH+]1CCC([C@H]2CCN(C(=O)C(F)(F)c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000272193326 251976821 /nfs/dbraw/zinc/97/68/21/251976821.db2.gz WCXURSAFRUWFFJ-AWEZNQCLSA-N 1 0 367.396 2.877 20 5 FFBDRO COc1cc(C[NH2+][C@H]2CC[C@H](O)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272397375 252027779 /nfs/dbraw/zinc/02/77/79/252027779.db2.gz JQLIJBOAKOWLPU-HAQNSBGRSA-N 1 0 360.357 2.640 20 5 FFBDRO CCC[N@@H+]1CC[C@H](CN[C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000272493735 252051179 /nfs/dbraw/zinc/05/11/79/252051179.db2.gz FINBPQBHNFXJQE-CRAIPNDOSA-N 1 0 357.458 2.739 20 5 FFBDRO Cn1ccnc1[C@H](NCC1(C)CC[NH+](C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000272534817 252061603 /nfs/dbraw/zinc/06/16/03/252061603.db2.gz NSJVZJFWCRNFPA-QGZVFWFLSA-N 1 0 357.458 2.739 20 5 FFBDRO C[C@@H]1C[C@H](N[C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C[N@@H+]1C1CC1 ZINC000272568323 252068800 /nfs/dbraw/zinc/06/88/00/252068800.db2.gz VJARECJRWDPNJW-QIIPPGSGSA-N 1 0 355.442 2.633 20 5 FFBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000272604401 252079624 /nfs/dbraw/zinc/07/96/24/252079624.db2.gz YYBYDVUWTAOWQY-QMTHXVAHSA-N 1 0 368.231 2.524 20 5 FFBDRO C[C@@]1([NH2+]CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CCO[C@H]1C1CC1 ZINC000273049001 252200171 /nfs/dbraw/zinc/20/01/71/252200171.db2.gz JYRZWDNLGPGCPA-JKSUJKDBSA-N 1 0 353.806 2.734 20 5 FFBDRO C[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-] ZINC000273160887 252236708 /nfs/dbraw/zinc/23/67/08/252236708.db2.gz NOWDTKULKAXVGI-STQMWFEESA-N 1 0 361.354 2.594 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+](CCC(F)(F)F)CC1CC1 ZINC000273390014 252294916 /nfs/dbraw/zinc/29/49/16/252294916.db2.gz UQUBJSMPWOSZDF-CYBMUJFWSA-N 1 0 362.348 2.999 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)c1 ZINC000285701792 257000564 /nfs/dbraw/zinc/00/05/64/257000564.db2.gz HNJZZAOGCTUMRO-JKSUJKDBSA-N 1 0 361.442 2.757 20 5 FFBDRO COCCOCCOCCC[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000274531915 255891251 /nfs/dbraw/zinc/89/12/51/255891251.db2.gz ANHJUBFOXMGJIW-INIZCTEOSA-N 1 0 354.447 2.575 20 5 FFBDRO COC(=O)c1cc(C(=O)Nc2ccccc2CC[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000275471371 256012435 /nfs/dbraw/zinc/01/24/35/256012435.db2.gz ATVNFQUATBVOMK-UHFFFAOYSA-N 1 0 371.393 2.738 20 5 FFBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C1 ZINC000277074538 256158516 /nfs/dbraw/zinc/15/85/16/256158516.db2.gz TTYVTEFDPBGFLY-MAUKXSAKSA-N 1 0 372.469 2.751 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000277199421 256171501 /nfs/dbraw/zinc/17/15/01/256171501.db2.gz FKYUVUSDSZOFAY-SUMWQHHRSA-N 1 0 359.426 2.692 20 5 FFBDRO Cc1c([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)cccc1[N+](=O)[O-] ZINC000285766612 257003652 /nfs/dbraw/zinc/00/36/52/257003652.db2.gz SYOKZQPTAQGVBD-MGNMYUMUSA-N 1 0 374.485 2.637 20 5 FFBDRO CCc1cc(N2CC[C@@H](C)[S@](=O)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000277219673 256173820 /nfs/dbraw/zinc/17/38/20/256173820.db2.gz RMXKOWKHVTYVLD-ZBSNKRKSSA-N 1 0 374.466 2.962 20 5 FFBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000277753678 256235459 /nfs/dbraw/zinc/23/54/59/256235459.db2.gz CIBUAJBVCWQMSV-MRXNPFEDSA-N 1 0 356.426 2.752 20 5 FFBDRO CCC[C@]1(CO)CCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000277834421 256245697 /nfs/dbraw/zinc/24/56/97/256245697.db2.gz RRZLRGWBHQGEHR-GOSISDBHSA-N 1 0 365.430 2.559 20 5 FFBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000277964394 256261076 /nfs/dbraw/zinc/26/10/76/256261076.db2.gz KXNNIFOATPOXTI-OAHLLOKOSA-N 1 0 357.863 2.724 20 5 FFBDRO C[NH+](C)[C@@H]1CCN(c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000278529125 256322363 /nfs/dbraw/zinc/32/23/63/256322363.db2.gz UANFYAOBFVGCFB-MRVPVSSYSA-N 1 0 354.279 2.784 20 5 FFBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000285794684 257005314 /nfs/dbraw/zinc/00/53/14/257005314.db2.gz MMFNXPVPKOMXPR-BBRMVZONSA-N 1 0 356.426 2.704 20 5 FFBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NC1CC[NH+](C2CC2)CC1 ZINC000279866250 256459017 /nfs/dbraw/zinc/45/90/17/256459017.db2.gz FGCGHUDGLQZBMV-UHFFFAOYSA-N 1 0 355.797 2.673 20 5 FFBDRO COc1ccc([C@H](C[NH+](C)C)NC(=O)c2cc(F)ccc2[N+](=O)[O-])cc1 ZINC000286295907 257029681 /nfs/dbraw/zinc/02/96/81/257029681.db2.gz XFYQJKCIYCVZJQ-INIZCTEOSA-N 1 0 361.373 2.775 20 5 FFBDRO CC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000286720111 257051465 /nfs/dbraw/zinc/05/14/65/257051465.db2.gz DZDRDQIESMUGSV-SFHVURJKSA-N 1 0 369.421 2.976 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1C[C@@H](N2CCOCC2)C[C@H]1C ZINC000287066028 257069940 /nfs/dbraw/zinc/06/99/40/257069940.db2.gz HPQZDHHMFFULCA-CABCVRRESA-N 1 0 362.430 2.539 20 5 FFBDRO Cc1c(NC(=O)N[C@@H](C)C[NH+](C)C)cc(Br)cc1[N+](=O)[O-] ZINC000287226230 257078624 /nfs/dbraw/zinc/07/86/24/257078624.db2.gz QFXJTMVLUXOQSV-QMMMGPOBSA-N 1 0 359.224 2.737 20 5 FFBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1c1ncc([N+](=O)[O-])cc1Br ZINC000286419269 257035949 /nfs/dbraw/zinc/03/59/49/257035949.db2.gz MVESQZROUUMZBE-GWCFXTLKSA-N 1 0 355.236 2.815 20 5 FFBDRO O=c1[nH]c(N2CCC[C@@H]([NH+]3CCCC3)CC2)nc2ccc([N+](=O)[O-])cc21 ZINC000287509255 257093247 /nfs/dbraw/zinc/09/32/47/257093247.db2.gz ZHMRHLQZTWENAW-CYBMUJFWSA-N 1 0 357.414 2.698 20 5 FFBDRO C[C@@H](CO)[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C1CCCC1 ZINC000287598151 257097998 /nfs/dbraw/zinc/09/79/98/257097998.db2.gz DCFOYVUCMVWXAS-LBPRGKRZSA-N 1 0 353.394 2.688 20 5 FFBDRO Cc1cnccc1OC1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000289402932 257279125 /nfs/dbraw/zinc/27/91/25/257279125.db2.gz OFCZZPPGBJDKKY-GOSISDBHSA-N 1 0 357.410 2.875 20 5 FFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCCN3c4ccccc4C[C@H]3C2)c1 ZINC000289403845 257279326 /nfs/dbraw/zinc/27/93/26/257279326.db2.gz GDZWVQIKPIXANS-ICSRJNTNSA-N 1 0 353.422 2.765 20 5 FFBDRO Cc1nc2ccccn2c(=O)c1CC[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000289663505 257292738 /nfs/dbraw/zinc/29/27/38/257292738.db2.gz YCOVWOFXJKWTEG-CYBMUJFWSA-N 1 0 352.394 2.804 20 5 FFBDRO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000290050355 257312986 /nfs/dbraw/zinc/31/29/86/257312986.db2.gz HBVPVGNYOHLBQP-QGZVFWFLSA-N 1 0 372.469 2.657 20 5 FFBDRO Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000290612113 257346610 /nfs/dbraw/zinc/34/66/10/257346610.db2.gz ZFTKNDUMKQPQDY-UHFFFAOYSA-N 1 0 370.457 2.845 20 5 FFBDRO C[C@H]([NH2+][C@H](CO)Cc1c[nH]c2ccccc12)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293572202 257552242 /nfs/dbraw/zinc/55/22/42/257552242.db2.gz DNZYDBVAPGOGQC-WFASDCNBSA-N 1 0 354.410 2.913 20 5 FFBDRO O=C(NCCC[C@H]1CCC[NH2+]1)c1ccc([N+](=O)[O-])cc1Br ZINC000294744432 257600876 /nfs/dbraw/zinc/60/08/76/257600876.db2.gz COLOUYMQXFUXQQ-SNVBAGLBSA-N 1 0 356.220 2.619 20 5 FFBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000296780040 257748115 /nfs/dbraw/zinc/74/81/15/257748115.db2.gz NILQTTBHAZIGJH-AWEZNQCLSA-N 1 0 361.442 2.746 20 5 FFBDRO NC(=O)c1cc([N+](=O)[O-])cnc1NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000301096025 258024740 /nfs/dbraw/zinc/02/47/40/258024740.db2.gz OEOHZOKDCUDIOL-UHFFFAOYSA-N 1 0 369.425 2.687 20 5 FFBDRO CCC[NH+]1CCC(CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000301105238 258025120 /nfs/dbraw/zinc/02/51/20/258025120.db2.gz ILIUZNJNHSHBOV-UHFFFAOYSA-N 1 0 355.460 2.532 20 5 FFBDRO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNc3ccccc3[N+](=O)[O-])c2)C1 ZINC000301204950 258034187 /nfs/dbraw/zinc/03/41/87/258034187.db2.gz OSTBLXSQVJXBPI-QGZVFWFLSA-N 1 0 368.437 2.904 20 5 FFBDRO CC[N@@H+]1CCCC[C@H]1CNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000301235598 258035443 /nfs/dbraw/zinc/03/54/43/258035443.db2.gz LSWDNICGGZTJEY-HNNXBMFYSA-N 1 0 371.441 2.846 20 5 FFBDRO Cc1ccnc(NCCC[NH+]2CCN(c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000301286979 258040193 /nfs/dbraw/zinc/04/01/93/258040193.db2.gz MCTORJSAOQIKSE-UHFFFAOYSA-N 1 0 355.442 2.922 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)n1 ZINC000302071618 258086033 /nfs/dbraw/zinc/08/60/33/258086033.db2.gz YQSNDXUQMVIWTK-QGZVFWFLSA-N 1 0 356.426 2.867 20 5 FFBDRO Cc1cc(NCc2cccc(S(N)(=O)=O)c2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302213906 258095585 /nfs/dbraw/zinc/09/55/85/258095585.db2.gz ZKVGYBYACXFQBP-UHFFFAOYSA-N 1 0 372.406 2.711 20 5 FFBDRO C[C@@H]1CCC[C@](CNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)([NH+](C)C)C1 ZINC000302632114 258107324 /nfs/dbraw/zinc/10/73/24/258107324.db2.gz JLKSGGMQSTYZBH-DYVFJYSZSA-N 1 0 369.487 2.921 20 5 FFBDRO COC(=O)c1cnc(NC[C@H](C)[N@@H+]2CCc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000302659415 258107391 /nfs/dbraw/zinc/10/73/91/258107391.db2.gz ATGHDCLFDYCTBY-ZDUSSCGKSA-N 1 0 370.409 2.635 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)CCN2 ZINC000302882849 258113649 /nfs/dbraw/zinc/11/36/49/258113649.db2.gz KGOXRUGFHDRWFC-JKSUJKDBSA-N 1 0 368.437 2.610 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(N2CCN(CC(=O)N(C)C3CCCCC3)CC2)c1 ZINC000301589923 258057771 /nfs/dbraw/zinc/05/77/71/258057771.db2.gz YILWMEIBDKGUAU-UHFFFAOYSA-N 1 0 374.485 2.816 20 5 FFBDRO CC1CC[NH+](CCCCNc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1 ZINC000301690789 258063057 /nfs/dbraw/zinc/06/30/57/258063057.db2.gz NMDMHNFZSYBMPK-UHFFFAOYSA-N 1 0 362.430 2.850 20 5 FFBDRO Cc1nc(N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)ccc1[N+](=O)[O-] ZINC000301736144 258065589 /nfs/dbraw/zinc/06/55/89/258065589.db2.gz VCAKYMNXXNUSGO-DLBZAZTESA-N 1 0 356.426 2.593 20 5 FFBDRO CCN1CC[NH+]([C@@H]2CCN(c3cc(C)nc4c3cccc4[N+](=O)[O-])C2)CC1 ZINC000301984811 258080389 /nfs/dbraw/zinc/08/03/89/258080389.db2.gz CHKUCLQDBDSVCQ-MRXNPFEDSA-N 1 0 369.469 2.668 20 5 FFBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000302002628 258081454 /nfs/dbraw/zinc/08/14/54/258081454.db2.gz XHTIBDBIDHCKMY-INIZCTEOSA-N 1 0 374.485 2.903 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)NCC3=CC[N@H+](C)CC3)cc2[N+](=O)[O-])C1 ZINC000332055484 258211835 /nfs/dbraw/zinc/21/18/35/258211835.db2.gz NDZDUYLTQFCAIO-OAHLLOKOSA-N 1 0 372.469 2.823 20 5 FFBDRO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@](C)(OC)CC2)c([N+](=O)[O-])c1 ZINC000332331075 258225584 /nfs/dbraw/zinc/22/55/84/258225584.db2.gz QIGNCCSOIYPIGV-FZKQIMNGSA-N 1 0 365.430 2.821 20 5 FFBDRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000332659276 258239324 /nfs/dbraw/zinc/23/93/24/258239324.db2.gz WOYUNVWDZNIXGX-CMPLNLGQSA-N 1 0 355.341 2.505 20 5 FFBDRO Cn1cc(N2CC[C@H]([NH2+][C@H](Cc3ccccc3[N+](=O)[O-])C3CC3)C2)cn1 ZINC000375028509 512128665 /nfs/dbraw/zinc/12/86/65/512128665.db2.gz CXLFKLFVJPHYHX-FUHWJXTLSA-N 1 0 355.442 2.518 20 5 FFBDRO COc1cc(C[NH2+][C@H]2CCO[C@@H]2C2CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000368904112 512129954 /nfs/dbraw/zinc/12/99/54/512129954.db2.gz ILGJDFPMFICSKK-YVEFUNNKSA-N 1 0 372.368 2.904 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC2CC([NH+]3CCCCC3)C2)c1 ZINC000366706235 512149610 /nfs/dbraw/zinc/14/96/10/512149610.db2.gz YBNPMADEAVVNKT-UHFFFAOYSA-N 1 0 361.442 2.805 20 5 FFBDRO O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000373055299 512151117 /nfs/dbraw/zinc/15/11/17/512151117.db2.gz XPLMBVYCEJEQHD-SMDDNHRTSA-N 1 0 358.423 2.542 20 5 FFBDRO CCC[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000158783631 508751883 /nfs/dbraw/zinc/75/18/83/508751883.db2.gz URTMCQPBCFZZDL-UHFFFAOYSA-N 1 0 370.247 2.962 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000064960244 506245663 /nfs/dbraw/zinc/24/56/63/506245663.db2.gz FCMBZPIDEOGBBO-ZDUSSCGKSA-N 1 0 369.487 2.692 20 5 FFBDRO CC(C)(C)OC(=O)NC1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000052927074 506280377 /nfs/dbraw/zinc/28/03/77/506280377.db2.gz PQBPIMBMXBGZQC-UHFFFAOYSA-N 1 0 365.430 2.963 20 5 FFBDRO CC1CC[NH+](CCCNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000065836489 506376563 /nfs/dbraw/zinc/37/65/63/506376563.db2.gz JXXAXFVSVHNOKW-UHFFFAOYSA-N 1 0 358.442 2.788 20 5 FFBDRO CC(C)[C@@H](CNC(=O)CNc1ccccc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000065866785 506381096 /nfs/dbraw/zinc/38/10/96/506381096.db2.gz OZCZICHAGSYUAE-GOSISDBHSA-N 1 0 362.474 2.879 20 5 FFBDRO C[C@@H](CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)[N@@H+]1CCC[C@@H](C)C1 ZINC000065867395 506382066 /nfs/dbraw/zinc/38/20/66/506382066.db2.gz SHXOTTZEGUEUEF-CABCVRRESA-N 1 0 358.442 2.786 20 5 FFBDRO Cc1nccn1-c1ccc(NC(=O)COc2ccc([N+](=O)[O-])c(C)c2)cn1 ZINC000366779871 512183594 /nfs/dbraw/zinc/18/35/94/512183594.db2.gz QVTXZEXRXLMKAA-UHFFFAOYSA-N 1 0 367.365 2.810 20 5 FFBDRO Cc1sc(C(=O)N2C[C@H](C[NH+](C)C)Oc3ccccc32)cc1[N+](=O)[O-] ZINC000371211345 512271059 /nfs/dbraw/zinc/27/10/59/512271059.db2.gz YZKCDKRVAOOENN-LBPRGKRZSA-N 1 0 361.423 2.934 20 5 FFBDRO C[C@H](O)C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000066067906 506421269 /nfs/dbraw/zinc/42/12/69/506421269.db2.gz ZQGCIJNCKFIUAP-AWEZNQCLSA-N 1 0 352.394 2.918 20 5 FFBDRO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000066474329 506529767 /nfs/dbraw/zinc/52/97/67/506529767.db2.gz SKXQGIPMWDDVTL-JKSUJKDBSA-N 1 0 363.458 2.990 20 5 FFBDRO C[NH+](C)Cc1cccc(NC(=O)NCCNc2ccccc2[N+](=O)[O-])c1 ZINC000044277489 506829625 /nfs/dbraw/zinc/82/96/25/506829625.db2.gz WQCWKRPHUGEQSD-UHFFFAOYSA-N 1 0 357.414 2.890 20 5 FFBDRO C[N@@H+](Cc1ccc(F)c(F)c1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000044380874 506840138 /nfs/dbraw/zinc/84/01/38/506840138.db2.gz LAIAKCOEGLTNON-AWEZNQCLSA-N 1 0 352.337 2.745 20 5 FFBDRO NC(=O)c1ccc(NC[C@H](c2ccco2)[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000015170593 507024163 /nfs/dbraw/zinc/02/41/63/507024163.db2.gz BSEGBKCQZCIKIM-MRXNPFEDSA-N 1 0 358.398 2.926 20 5 FFBDRO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000367050036 512314235 /nfs/dbraw/zinc/31/42/35/512314235.db2.gz LMJQVZIUMHCSJR-INIZCTEOSA-N 1 0 357.414 2.802 20 5 FFBDRO C[NH+](C)CCOc1ccc(CNC(=O)c2cc(F)ccc2[N+](=O)[O-])cc1 ZINC000068130252 507123015 /nfs/dbraw/zinc/12/30/15/507123015.db2.gz UQIGPNDXVHEMJI-UHFFFAOYSA-N 1 0 361.373 2.604 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000068195857 507143837 /nfs/dbraw/zinc/14/38/37/507143837.db2.gz VDDVPDOWMFPUOC-WDEREUQCSA-N 1 0 355.822 2.614 20 5 FFBDRO Cc1c(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)cccc1[N+](=O)[O-] ZINC000057166371 507192598 /nfs/dbraw/zinc/19/25/98/507192598.db2.gz RHUPTYBGICXVOB-UHFFFAOYSA-N 1 0 354.410 2.693 20 5 FFBDRO C[C@H](CNC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000068353806 507198529 /nfs/dbraw/zinc/19/85/29/507198529.db2.gz ASUBDIVQASDFHE-CHWSQXEVSA-N 1 0 369.849 2.864 20 5 FFBDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000046903793 507220143 /nfs/dbraw/zinc/22/01/43/507220143.db2.gz BNXYWGMJELLEBE-UHFFFAOYSA-N 1 0 360.439 2.969 20 5 FFBDRO O=C(COc1ccccc1[N+](=O)[O-])N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000022498597 507296650 /nfs/dbraw/zinc/29/66/50/507296650.db2.gz MAJJXZDRAWAISZ-UHFFFAOYSA-N 1 0 369.421 2.708 20 5 FFBDRO CC[NH+](CC)[C@@H](CNC(=O)c1cc([N+](=O)[O-])cnc1C)Cc1ccccc1 ZINC000047508947 507346694 /nfs/dbraw/zinc/34/66/94/507346694.db2.gz YMIVMXVJZHSTLV-QGZVFWFLSA-N 1 0 370.453 2.981 20 5 FFBDRO Cn1cnc([N+](=O)[O-])c1N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000058304102 507403714 /nfs/dbraw/zinc/40/37/14/507403714.db2.gz UBXJWLZMPZVKFO-UHFFFAOYSA-N 1 0 351.410 2.804 20 5 FFBDRO C[C@@H](CNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)C[NH+]1CCCC1 ZINC000047916735 507413591 /nfs/dbraw/zinc/41/35/91/507413591.db2.gz LGXJTDJTALVSPO-KBPBESRZSA-N 1 0 351.472 2.924 20 5 FFBDRO C[NH+](C)C[C@H](O)COc1ccc(NC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000069120405 507413979 /nfs/dbraw/zinc/41/39/79/507413979.db2.gz YNWZZXQPUBMTSW-INIZCTEOSA-N 1 0 374.397 2.540 20 5 FFBDRO CCCc1n[nH]c(C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000069156123 507424431 /nfs/dbraw/zinc/42/44/31/507424431.db2.gz TVNRBZKIGWHFGJ-UHFFFAOYSA-N 1 0 371.441 2.619 20 5 FFBDRO CC(C)(CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)[NH+]1CCCCC1 ZINC000048178387 507472732 /nfs/dbraw/zinc/47/27/32/507472732.db2.gz BNNFUHGQDNDRNC-UHFFFAOYSA-N 1 0 371.441 2.775 20 5 FFBDRO COc1ccc(OCCC[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1 ZINC000026487588 507591567 /nfs/dbraw/zinc/59/15/67/507591567.db2.gz DISLAPHBONXZIJ-UHFFFAOYSA-N 1 0 372.425 2.590 20 5 FFBDRO CC(C)C[NH+]1CCN([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000049970354 507645514 /nfs/dbraw/zinc/64/55/14/507645514.db2.gz MQAPSSSVWOXKLQ-AWEZNQCLSA-N 1 0 359.430 2.979 20 5 FFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000052399873 507807977 /nfs/dbraw/zinc/80/79/77/507807977.db2.gz PMYLJKKAEQRNGP-UHFFFAOYSA-N 1 0 354.410 2.824 20 5 FFBDRO CC[NH+](CC)C[C@H]1CCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000072823451 507858036 /nfs/dbraw/zinc/85/80/36/507858036.db2.gz YEJIIPABMGIXCV-JKSUJKDBSA-N 1 0 362.474 2.894 20 5 FFBDRO CC[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CCS1 ZINC000072862682 507866040 /nfs/dbraw/zinc/86/60/40/507866040.db2.gz OCABZYKSEHATSX-CYBMUJFWSA-N 1 0 353.444 2.759 20 5 FFBDRO Cn1ccnc1C[C@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000090003581 507900205 /nfs/dbraw/zinc/90/02/05/507900205.db2.gz RWKLRSAWXQGHJF-OAHLLOKOSA-N 1 0 371.441 2.612 20 5 FFBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000090590327 507929145 /nfs/dbraw/zinc/92/91/45/507929145.db2.gz KPTQQLBHZCGUDB-MRXNPFEDSA-N 1 0 363.801 2.563 20 5 FFBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccc(NS(C)(=O)=O)cc1 ZINC000090910243 507938903 /nfs/dbraw/zinc/93/89/03/507938903.db2.gz INNHLADUBIELLI-ZDUSSCGKSA-N 1 0 363.439 2.860 20 5 FFBDRO CC[NH+]1CCN(c2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc2)CC1 ZINC000074165179 507993807 /nfs/dbraw/zinc/99/38/07/507993807.db2.gz KYFHYZWFORTGTI-UHFFFAOYSA-N 1 0 354.410 2.989 20 5 FFBDRO CCCC[N@H+](C)CC1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000074319848 508011967 /nfs/dbraw/zinc/01/19/67/508011967.db2.gz BAPZVSAHPRHSIU-UHFFFAOYSA-N 1 0 362.474 2.977 20 5 FFBDRO CCN1CC[NH+](C[C@@H](C)CNc2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000092612740 508086682 /nfs/dbraw/zinc/08/66/82/508086682.db2.gz RVAMIQSYIPBRTN-HNNXBMFYSA-N 1 0 357.458 2.829 20 5 FFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000111308101 508088906 /nfs/dbraw/zinc/08/89/06/508088906.db2.gz HLURCGZLGJDZSG-MRXNPFEDSA-N 1 0 368.437 2.740 20 5 FFBDRO C[C@@H]1C[C@H]1c1ccc(C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C2CC2)o1 ZINC000075588839 508120307 /nfs/dbraw/zinc/12/03/07/508120307.db2.gz FSMPWCOSJHILKC-ISTRZQFTSA-N 1 0 360.414 2.533 20 5 FFBDRO CCCc1n[nH]c(C(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000081122297 508140624 /nfs/dbraw/zinc/14/06/24/508140624.db2.gz JTBQCPLUQDAFIT-HNNXBMFYSA-N 1 0 371.441 2.617 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)cc1 ZINC000093483727 508146436 /nfs/dbraw/zinc/14/64/36/508146436.db2.gz XBIKDVTXDWBWQP-IYBDPMFKSA-N 1 0 364.785 2.578 20 5 FFBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000081334071 508163930 /nfs/dbraw/zinc/16/39/30/508163930.db2.gz CSODXKHYABCXIN-INIZCTEOSA-N 1 0 362.474 2.977 20 5 FFBDRO CCC[NH+](CCC)CCCNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000076225008 508172235 /nfs/dbraw/zinc/17/22/35/508172235.db2.gz JZZHCVLEVHOYBX-UHFFFAOYSA-N 1 0 365.430 2.608 20 5 FFBDRO CCCC[N@H+](C)CCNC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000112310548 508173182 /nfs/dbraw/zinc/17/31/82/508173182.db2.gz RHBXJWNEXICZCD-GFCCVEGCSA-N 1 0 357.838 2.864 20 5 FFBDRO CCC[N@H+](C)C[C@H]1CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000081569395 508191883 /nfs/dbraw/zinc/19/18/83/508191883.db2.gz LPKVKOWWGCWCQG-CQSZACIVSA-N 1 0 359.430 2.809 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[N@@H+](C)CC12CCCCC2 ZINC000081598758 508195090 /nfs/dbraw/zinc/19/50/90/508195090.db2.gz RYDRJVYGPOOQMS-UHFFFAOYSA-N 1 0 360.458 2.792 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000076483627 508212050 /nfs/dbraw/zinc/21/20/50/508212050.db2.gz LMQMEQIDLOSVLI-NVXWUHKLSA-N 1 0 374.485 2.997 20 5 FFBDRO CC(C)OCC[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000081995466 508224023 /nfs/dbraw/zinc/22/40/23/508224023.db2.gz RFOBPBQYJBBUBD-UHFFFAOYSA-N 1 0 369.849 2.867 20 5 FFBDRO Cc1c(C(=O)N2CCC(CC[NH+](C)C)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000112924897 508234037 /nfs/dbraw/zinc/23/40/37/508234037.db2.gz IKXZBBAJVGFZSP-UHFFFAOYSA-N 1 0 364.402 2.615 20 5 FFBDRO COc1ccc(NC(=O)CC[N@@H+]2CCSC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000083415912 508245161 /nfs/dbraw/zinc/24/51/61/508245161.db2.gz LYWOBRHDYBLLOK-UHFFFAOYSA-N 1 0 353.444 2.759 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)NC[C@@H](C3CC3)[NH+](C)C)cc2[N+](=O)[O-])C1 ZINC000076925264 508263277 /nfs/dbraw/zinc/26/32/77/508263277.db2.gz IJLSHVQJKCNAKZ-KUHUBIRLSA-N 1 0 374.485 2.901 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCOC[C@@H]1CC(C)C ZINC000113942113 508287299 /nfs/dbraw/zinc/28/72/99/508287299.db2.gz UBIVRPNEOHARLA-HNNXBMFYSA-N 1 0 365.430 2.679 20 5 FFBDRO Cc1cccc(CN(CC[NH+](C)C)C(=O)COc2ccccc2[N+](=O)[O-])c1 ZINC000103114249 508297218 /nfs/dbraw/zinc/29/72/18/508297218.db2.gz SGKIOIZDWUKZMF-UHFFFAOYSA-N 1 0 371.437 2.872 20 5 FFBDRO CC[C@H](O)[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000114459510 508316226 /nfs/dbraw/zinc/31/62/26/508316226.db2.gz RCNQARJNFKIDOW-HOTGVXAUSA-N 1 0 365.430 2.557 20 5 FFBDRO C[N@H+](CCNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)Cc1ccccc1 ZINC000087061813 508334659 /nfs/dbraw/zinc/33/46/59/508334659.db2.gz UCXPVLRJAZBBTP-UHFFFAOYSA-N 1 0 368.437 2.795 20 5 FFBDRO COc1cc[nH+]c(N2CCN(C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)CC2)c1 ZINC000104970030 508354916 /nfs/dbraw/zinc/35/49/16/508354916.db2.gz MLTHICVZVNIWSX-UHFFFAOYSA-N 1 0 371.397 2.661 20 5 FFBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000077839475 508383411 /nfs/dbraw/zinc/38/34/11/508383411.db2.gz UBUTYLMVLWRSAM-GOSISDBHSA-N 1 0 360.458 2.797 20 5 FFBDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000115436223 508394278 /nfs/dbraw/zinc/39/42/78/508394278.db2.gz ANFQMBWCORARBO-OAHLLOKOSA-N 1 0 360.458 2.609 20 5 FFBDRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000121779161 508417055 /nfs/dbraw/zinc/41/70/55/508417055.db2.gz KNXKELPOKAIJDE-INIZCTEOSA-N 1 0 358.442 2.753 20 5 FFBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000156448103 508421632 /nfs/dbraw/zinc/42/16/32/508421632.db2.gz KGVRWCACPJFHLN-CQSZACIVSA-N 1 0 356.426 2.947 20 5 FFBDRO C[N@@H+]1CCC[C@@H]2CN(c3ccc([N+](=O)[O-])c(C(=O)N4CCCC4)c3)CC[C@@H]21 ZINC000133672309 508433105 /nfs/dbraw/zinc/43/31/05/508433105.db2.gz SPABZKQFWDOCBF-QAPCUYQASA-N 1 0 372.469 2.751 20 5 FFBDRO C[NH+]1CCC(CNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000127655607 508482920 /nfs/dbraw/zinc/48/29/20/508482920.db2.gz RIWKHGBWNOULTG-UHFFFAOYSA-N 1 0 360.439 2.790 20 5 FFBDRO CCOc1ccc(OC[C@H](O)CN2CCc3c(cccc3[N+](=O)[O-])C2)cc1 ZINC000153055859 508543071 /nfs/dbraw/zinc/54/30/71/508543071.db2.gz UBVGYQVOUXFAQR-MRXNPFEDSA-N 1 0 372.421 2.792 20 5 FFBDRO COc1ccc(-c2ccc(C[NH2+]CCC[S@@](C)=O)o2)c([N+](=O)[O-])c1 ZINC000116918690 508571193 /nfs/dbraw/zinc/57/11/93/508571193.db2.gz YLHQLMBIYIDPSV-DEOSSOPVSA-N 1 0 352.412 2.722 20 5 FFBDRO CC(C)(C)C[N@H+](CCCO)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000117340450 508593011 /nfs/dbraw/zinc/59/30/11/508593011.db2.gz GDKZVZPPMOXHJW-UHFFFAOYSA-N 1 0 365.430 2.623 20 5 FFBDRO CCCS(=O)(=O)N1CCC([NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000122906755 508605389 /nfs/dbraw/zinc/60/53/89/508605389.db2.gz JZPZKRYNZUGRNZ-CQSZACIVSA-N 1 0 369.487 2.758 20 5 FFBDRO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000153774635 508645652 /nfs/dbraw/zinc/64/56/52/508645652.db2.gz TWUUVTZSDWJKBG-LESCRADOSA-N 1 0 363.458 2.645 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000158036049 508648323 /nfs/dbraw/zinc/64/83/23/508648323.db2.gz FEKSYFOPGWPHQT-UHFFFAOYSA-N 1 0 350.419 2.845 20 5 FFBDRO Nc1ccc(C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000153835556 508659706 /nfs/dbraw/zinc/65/97/06/508659706.db2.gz QLDSPRLBDDQEKK-UHFFFAOYSA-N 1 0 360.458 2.905 20 5 FFBDRO CC(C)(CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH+]1CCCCC1 ZINC000123317576 508667888 /nfs/dbraw/zinc/66/78/88/508667888.db2.gz OCNHWLNBXPMAOQ-UHFFFAOYSA-N 1 0 358.442 2.999 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000153893843 508671984 /nfs/dbraw/zinc/67/19/84/508671984.db2.gz MNGYZXQYSGAADZ-SUMWQHHRSA-N 1 0 359.426 2.692 20 5 FFBDRO CN(CC[NH+]1CCCC1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000118807864 508676819 /nfs/dbraw/zinc/67/68/19/508676819.db2.gz PUHIDRUOYBHHEU-UHFFFAOYSA-N 1 0 358.345 2.756 20 5 FFBDRO C[C@@H]1C[C@@H](N(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1C ZINC000123493256 508695038 /nfs/dbraw/zinc/69/50/38/508695038.db2.gz UWPVULNMSRNPJZ-NEPJUHHUSA-N 1 0 354.838 2.601 20 5 FFBDRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000154011682 508698793 /nfs/dbraw/zinc/69/87/93/508698793.db2.gz PWRBFZODPJTKKC-GOSISDBHSA-N 1 0 360.458 2.607 20 5 FFBDRO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000136893952 508722990 /nfs/dbraw/zinc/72/29/90/508722990.db2.gz UBUDSOHOMVXJDQ-KUHUBIRLSA-N 1 0 367.409 2.902 20 5 FFBDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000136939556 508726426 /nfs/dbraw/zinc/72/64/26/508726426.db2.gz DXKWFRWNTVWYGX-GDBMZVCRSA-N 1 0 356.426 2.704 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]1C[C@@H](O)c1cnn(C)c1 ZINC000371458237 512413442 /nfs/dbraw/zinc/41/34/42/512413442.db2.gz JXSAAUQJQXIBIB-SJLPKXTDSA-N 1 0 374.441 2.815 20 5 FFBDRO CCC[NH+]1CCC(CNC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)CC1 ZINC000119253957 508758583 /nfs/dbraw/zinc/75/85/83/508758583.db2.gz FOAYPPGPAIJMTF-UHFFFAOYSA-N 1 0 360.458 2.785 20 5 FFBDRO Cc1c(Br)cc(C(=O)NC[C@H](C2CC2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000119270748 508761587 /nfs/dbraw/zinc/76/15/87/508761587.db2.gz XWFBYJKPNVICFF-CQSZACIVSA-N 1 0 370.247 2.736 20 5 FFBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Br)C[NH+]1CCCC1 ZINC000119283682 508764487 /nfs/dbraw/zinc/76/44/87/508764487.db2.gz FYHSNJWZDOMECN-LLVKDONJSA-N 1 0 370.247 2.819 20 5 FFBDRO C[C@@H]1C[C@H](N(C)C(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000124068258 508778669 /nfs/dbraw/zinc/77/86/69/508778669.db2.gz ABLFHMQMMMCBHJ-CZUORRHYSA-N 1 0 371.441 2.550 20 5 FFBDRO C[NH+]1CCN(Cc2cccc(NC(=O)c3ccc(F)cc3[N+](=O)[O-])c2)CC1 ZINC000124186342 508794024 /nfs/dbraw/zinc/79/40/24/508794024.db2.gz HJMYMIDGEAAMAH-UHFFFAOYSA-N 1 0 372.400 2.734 20 5 FFBDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000124282338 508809573 /nfs/dbraw/zinc/80/95/73/508809573.db2.gz JDYMSZYKMKJCPQ-MRXNPFEDSA-N 1 0 362.474 2.881 20 5 FFBDRO CCC[C@@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC[N@@H+]1CCOC ZINC000154857297 508870592 /nfs/dbraw/zinc/87/05/92/508870592.db2.gz HMMONBSMBJIFBS-MRXNPFEDSA-N 1 0 350.419 2.559 20 5 FFBDRO O=C(NC1CC1)c1ccc(N2CCC[C@H]([NH+]3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000150885456 508915543 /nfs/dbraw/zinc/91/55/43/508915543.db2.gz ULJGUWCOVYCTNN-KRWDZBQOSA-N 1 0 372.469 2.942 20 5 FFBDRO Cc1sc(S(=O)(=O)NC2CC[NH+](C3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000125068144 508927013 /nfs/dbraw/zinc/92/70/13/508927013.db2.gz NMQUJKGYFNNVQA-UHFFFAOYSA-N 1 0 373.500 2.650 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000120161144 508940281 /nfs/dbraw/zinc/94/02/81/508940281.db2.gz RXCDGLMIJILKEE-OAHLLOKOSA-N 1 0 369.487 2.550 20 5 FFBDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000155187544 508943380 /nfs/dbraw/zinc/94/33/80/508943380.db2.gz TUSJQJDTSJKFTQ-ZDUSSCGKSA-N 1 0 369.425 2.527 20 5 FFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@@H]2CCCS2(=O)=O)s1 ZINC000131685778 508959447 /nfs/dbraw/zinc/95/94/47/508959447.db2.gz HAZWXWFKCBBEDZ-ZDUSSCGKSA-N 1 0 366.464 2.990 20 5 FFBDRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000131749417 508965847 /nfs/dbraw/zinc/96/58/47/508965847.db2.gz MOZQZBJFCLQZNE-KBPBESRZSA-N 1 0 351.422 2.761 20 5 FFBDRO C[NH+](C)CCN(C1CCCCC1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000155608406 509036615 /nfs/dbraw/zinc/03/66/15/509036615.db2.gz UDGIHHCIQFVFAH-UHFFFAOYSA-N 1 0 369.487 2.621 20 5 FFBDRO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000126554540 509094691 /nfs/dbraw/zinc/09/46/91/509094691.db2.gz VGGAHBQSHMIICP-YVEFUNNKSA-N 1 0 369.425 2.560 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCCC[C@@H]2c2ncc[nH]2)c1C ZINC000121398425 509171828 /nfs/dbraw/zinc/17/18/28/509171828.db2.gz TZMYHELCZWPUFW-CQSZACIVSA-N 1 0 364.427 2.851 20 5 FFBDRO CCn1cc([N+](=O)[O-])c(C(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)n1 ZINC000191801339 509187674 /nfs/dbraw/zinc/18/76/74/509187674.db2.gz LEPUPRIPWHRPAS-ZDUSSCGKSA-N 1 0 359.430 2.670 20 5 FFBDRO CCCN(C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CC[NH2+]C1 ZINC000178934956 509190037 /nfs/dbraw/zinc/19/00/37/509190037.db2.gz QFSVJEKYFFSUIU-CQSZACIVSA-N 1 0 360.439 2.932 20 5 FFBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000185491941 509203950 /nfs/dbraw/zinc/20/39/50/509203950.db2.gz DZMNDKSUUPEUIR-UONOGXRCSA-N 1 0 351.422 2.932 20 5 FFBDRO Cn1c(=O)c2ccc([N+](=O)[O-])cc2nc1SCCC[NH+]1CCCCC1 ZINC000191840231 509206678 /nfs/dbraw/zinc/20/66/78/509206678.db2.gz BSLYUPYRBQAKBQ-UHFFFAOYSA-N 1 0 362.455 2.810 20 5 FFBDRO C[C@@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@@H]1COc2ccccc21 ZINC000185566444 509240188 /nfs/dbraw/zinc/24/01/88/509240188.db2.gz NMIGNNCACCKLJS-DYVFJYSZSA-N 1 0 367.405 2.638 20 5 FFBDRO CCNC(=O)COc1cccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000266887434 509242767 /nfs/dbraw/zinc/24/27/67/509242767.db2.gz QIQLWUMRKUHPIE-CQSZACIVSA-N 1 0 357.410 2.961 20 5 FFBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)CCCNc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000248164930 509253325 /nfs/dbraw/zinc/25/33/25/509253325.db2.gz SUNBLNHTUSFDNZ-CRAIPNDOSA-N 1 0 360.458 2.730 20 5 FFBDRO O=C(C[NH2+]C1(c2ccccc2)CC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000263978248 509260334 /nfs/dbraw/zinc/26/03/34/509260334.db2.gz DTGXJLJSZGQXOY-UHFFFAOYSA-N 1 0 355.350 2.541 20 5 FFBDRO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)C1 ZINC000191998057 509285021 /nfs/dbraw/zinc/28/50/21/509285021.db2.gz IPYKLTPENGBYQC-HNNXBMFYSA-N 1 0 369.487 2.564 20 5 FFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1Nc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000248401229 509296353 /nfs/dbraw/zinc/29/63/53/509296353.db2.gz ZDBBRSPCMYJARD-CXAGYDPISA-N 1 0 354.410 2.626 20 5 FFBDRO C[C@H](C[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1nccs1 ZINC000248439528 509320490 /nfs/dbraw/zinc/32/04/90/509320490.db2.gz CMNRERSHIQYUIH-CHWSQXEVSA-N 1 0 351.428 2.527 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCC(c3ccc(Cl)cc3)CC2)c1 ZINC000185785875 509355022 /nfs/dbraw/zinc/35/50/22/509355022.db2.gz UMGORLCEDJOTTN-QGZVFWFLSA-N 1 0 364.833 2.685 20 5 FFBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)NC1CC[NH+](C2CCCC2)CC1 ZINC000267176036 509380762 /nfs/dbraw/zinc/38/07/62/509380762.db2.gz WUQDJZNWFXDKRM-UHFFFAOYSA-N 1 0 365.405 2.636 20 5 FFBDRO C[NH+](C)CCCOC1CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000267270458 509420518 /nfs/dbraw/zinc/42/05/18/509420518.db2.gz PVFUYFQZUGJBDZ-UHFFFAOYSA-N 1 0 369.849 2.821 20 5 FFBDRO CC[N@H+](C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C1 ZINC000267286717 509429124 /nfs/dbraw/zinc/42/91/24/509429124.db2.gz WNYUUNAVFLUBGL-HNNXBMFYSA-N 1 0 360.458 2.609 20 5 FFBDRO CC(C)C[C@@H](C[NH+](C)C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000189141289 509432213 /nfs/dbraw/zinc/43/22/13/509432213.db2.gz CVMFYQYXGOJNOX-NSHDSACASA-N 1 0 363.867 2.503 20 5 FFBDRO CCOc1ccc([C@@H](C)[NH2+]CCN2CCOCC2(C)C)cc1[N+](=O)[O-] ZINC000179418281 509433274 /nfs/dbraw/zinc/43/32/74/509433274.db2.gz OWLFIYKLRORKJE-CQSZACIVSA-N 1 0 351.447 2.755 20 5 FFBDRO C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1(c2ccccc2)CCCC1 ZINC000185949383 509442934 /nfs/dbraw/zinc/44/29/34/509442934.db2.gz WPJWQKCQZRDOFC-MAUKXSAKSA-N 1 0 358.442 2.642 20 5 FFBDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000236774236 509501269 /nfs/dbraw/zinc/50/12/69/509501269.db2.gz KTQVBHHWNJULAO-LBPRGKRZSA-N 1 0 358.236 2.803 20 5 FFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000248875744 509523983 /nfs/dbraw/zinc/52/39/83/509523983.db2.gz RABNTDQUBHHAAN-NVXWUHKLSA-N 1 0 369.421 2.610 20 5 FFBDRO COCC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)Cc1ccco1 ZINC000164704396 509527307 /nfs/dbraw/zinc/52/73/07/509527307.db2.gz LNWOTUPTVJCUBM-UHFFFAOYSA-N 1 0 361.398 2.973 20 5 FFBDRO Cc1cc(S(=O)(=O)N2CCC(CCC[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000179623956 509540857 /nfs/dbraw/zinc/54/08/57/509540857.db2.gz YGBGNGOUQJJDPI-UHFFFAOYSA-N 1 0 369.487 2.646 20 5 FFBDRO C[C@H]([NH2+]CC(=O)N1CCN(c2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000173360991 509553818 /nfs/dbraw/zinc/55/38/18/509553818.db2.gz QSRUEFBVLUMKJL-INIZCTEOSA-N 1 0 368.437 2.594 20 5 FFBDRO CCC[NH+]1CCC(N(C)CCOc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000173366989 509555853 /nfs/dbraw/zinc/55/58/53/509555853.db2.gz MJVAHAVQZNCOHE-UHFFFAOYSA-N 1 0 351.447 2.788 20 5 FFBDRO CC[NH2+]CC1CCN(C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)CC1 ZINC000237036103 509556965 /nfs/dbraw/zinc/55/69/65/509556965.db2.gz MBCNJJWBWWAPRA-UHFFFAOYSA-N 1 0 364.402 2.582 20 5 FFBDRO COc1ccc(OCC[N@H+](CCO)[C@H]2CCc3ccccc32)c([N+](=O)[O-])c1 ZINC000173386661 509567791 /nfs/dbraw/zinc/56/77/91/509567791.db2.gz ZPLRIMGHVVYNNN-SFHVURJKSA-N 1 0 372.421 2.964 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@H](C[NH3+])C2CCCCC2)cc1SC ZINC000237121879 509575500 /nfs/dbraw/zinc/57/55/00/509575500.db2.gz GPINPBUKJFCRDJ-CYBMUJFWSA-N 1 0 367.471 2.963 20 5 FFBDRO Cn1cc(N2CCC[C@H]([NH2+][C@H]3CCCc4ccc([N+](=O)[O-])cc43)C2)cn1 ZINC000249037921 509579710 /nfs/dbraw/zinc/57/97/10/509579710.db2.gz TXGMRZFXTDFOPP-KXBFYZLASA-N 1 0 355.442 2.964 20 5 FFBDRO COc1cc(C[NH2+]CCn2cccn2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000237207488 509594354 /nfs/dbraw/zinc/59/43/54/509594354.db2.gz QVQBCQDJQDCBOH-UHFFFAOYSA-N 1 0 374.319 2.531 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000192684707 509597471 /nfs/dbraw/zinc/59/74/71/509597471.db2.gz ABKBHXXWFMCITA-UHFFFAOYSA-N 1 0 363.483 2.995 20 5 FFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(Cn2cncn2)CC1 ZINC000186249204 509600383 /nfs/dbraw/zinc/60/03/83/509600383.db2.gz LWSMSTXJWYQBGO-UHFFFAOYSA-N 1 0 359.430 2.886 20 5 FFBDRO COc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])cc1OC ZINC000173458254 509612686 /nfs/dbraw/zinc/61/26/86/509612686.db2.gz GVAGLARZRBUBEV-LBPRGKRZSA-N 1 0 359.382 2.901 20 5 FFBDRO COCC[N@H+](C)CCCC1CCN(c2cc(C)c([N+](=O)[O-])cn2)CC1 ZINC000179817000 509635105 /nfs/dbraw/zinc/63/51/05/509635105.db2.gz FLHGJWGADIXMLP-UHFFFAOYSA-N 1 0 350.463 2.873 20 5 FFBDRO C[C@@H]1CCCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@@H]1C[NH3+] ZINC000237454537 509651825 /nfs/dbraw/zinc/65/18/25/509651825.db2.gz WIHROAHJMQMPQX-IAQYHMDHSA-N 1 0 360.439 2.918 20 5 FFBDRO COc1cccc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000192807987 509651938 /nfs/dbraw/zinc/65/19/38/509651938.db2.gz SIRDNWQOYDLZJU-CJNGLKHVSA-N 1 0 359.426 2.692 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000237631001 509696673 /nfs/dbraw/zinc/69/66/73/509696673.db2.gz HENLTFRYWOKOPS-DMDPSCGWSA-N 1 0 355.822 2.649 20 5 FFBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N[C@@H](C[NH3+])C3CC3)cc2[N+](=O)[O-])C1 ZINC000237692147 509712715 /nfs/dbraw/zinc/71/27/15/509712715.db2.gz TWGPGZKYQZMXNS-ZENOOKHLSA-N 1 0 360.458 2.544 20 5 FFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCC([NH2+]CC2CC2)CC1 ZINC000237812373 509740455 /nfs/dbraw/zinc/74/04/55/509740455.db2.gz QCRGHRXYKSYKFC-UHFFFAOYSA-N 1 0 351.834 2.781 20 5 FFBDRO COc1ccc([C@H]2CC[N@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000249903470 509778486 /nfs/dbraw/zinc/77/84/86/509778486.db2.gz UFZISRMOIQPULF-FUHWJXTLSA-N 1 0 372.421 2.833 20 5 FFBDRO CCC1(CC)[C@@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1OC ZINC000186608781 509800326 /nfs/dbraw/zinc/80/03/26/509800326.db2.gz SZNVJRYFVMMFTN-HOTGVXAUSA-N 1 0 370.471 2.552 20 5 FFBDRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000176987394 509801716 /nfs/dbraw/zinc/80/17/16/509801716.db2.gz YICOBIHVYMFHOO-LLVKDONJSA-N 1 0 370.247 2.962 20 5 FFBDRO Cc1cc(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)ccc1[N+](=O)[O-] ZINC000173849651 509815574 /nfs/dbraw/zinc/81/55/74/509815574.db2.gz CVLUCIOFHGEPDV-CABCVRRESA-N 1 0 367.471 2.539 20 5 FFBDRO Cc1ccc(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)cc1[N+](=O)[O-] ZINC000173850045 509815744 /nfs/dbraw/zinc/81/57/44/509815744.db2.gz LUMUTDVNSRFSSY-CABCVRRESA-N 1 0 367.471 2.539 20 5 FFBDRO CC[N@H+](C)C[C@@H]1CCN(Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C1 ZINC000173889107 509836439 /nfs/dbraw/zinc/83/64/39/509836439.db2.gz HYILHIGSWBSHNE-LBPRGKRZSA-N 1 0 373.400 2.978 20 5 FFBDRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183551158 509856431 /nfs/dbraw/zinc/85/64/31/509856431.db2.gz PIKWDGMEQDISAU-UHFFFAOYSA-N 1 0 361.377 2.725 20 5 FFBDRO O=C(NCc1ccccc1C[NH+]1CCCC1)Nc1ccncc1[N+](=O)[O-] ZINC000183576805 509868295 /nfs/dbraw/zinc/86/82/95/509868295.db2.gz VCFWUAKCHPPRKO-UHFFFAOYSA-N 1 0 355.398 2.907 20 5 FFBDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1cc2ccccc2c2cccnc12 ZINC000170953676 509869104 /nfs/dbraw/zinc/86/91/04/509869104.db2.gz RNFWTRNDNQZTGS-INIZCTEOSA-N 1 0 362.477 2.754 20 5 FFBDRO CC(C)[NH+]1CCC(NC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000268371809 509892680 /nfs/dbraw/zinc/89/26/80/509892680.db2.gz WBBDAIKQERBVKQ-UHFFFAOYSA-N 1 0 354.838 2.920 20 5 FFBDRO CN(CC[N@H+](C)C1CC1)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000186773824 509895760 /nfs/dbraw/zinc/89/57/60/509895760.db2.gz LQOMNXOLTGCBJA-UHFFFAOYSA-N 1 0 360.439 2.885 20 5 FFBDRO COC(=O)c1ccccc1NC(=O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180399705 509903749 /nfs/dbraw/zinc/90/37/49/509903749.db2.gz JPCSBEIDYSRPBP-GFCCVEGCSA-N 1 0 357.366 2.671 20 5 FFBDRO CN(C)c1ncccc1C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000171049913 509907599 /nfs/dbraw/zinc/90/75/99/509907599.db2.gz ULELKVHPFVFNEC-UHFFFAOYSA-N 1 0 366.425 2.746 20 5 FFBDRO C[C@@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1cccc([N+](=O)[O-])c1 ZINC000180408965 509911632 /nfs/dbraw/zinc/91/16/32/509911632.db2.gz ZJVBRFYYPJLQIE-GFCCVEGCSA-N 1 0 370.365 2.743 20 5 FFBDRO COC(=O)[C@H](C)[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C1CCC1 ZINC000190072859 509922010 /nfs/dbraw/zinc/92/20/10/509922010.db2.gz PSTNBDVPERTDAA-ZDUSSCGKSA-N 1 0 363.414 2.648 20 5 FFBDRO C[C@H]([NH2+]CC(=O)Nc1ccc2c(c1)OCCO2)c1cccc([N+](=O)[O-])c1 ZINC000180450306 509930973 /nfs/dbraw/zinc/93/09/73/509930973.db2.gz FOYUQNXHAAJHDU-LBPRGKRZSA-N 1 0 357.366 2.655 20 5 FFBDRO CCc1[nH]nc(C(=O)Nc2ccc3ccn(CC[NH+](C)C)c3c2)c1[N+](=O)[O-] ZINC000174076032 509938201 /nfs/dbraw/zinc/93/82/01/509938201.db2.gz GSUVWUOMDFCAST-UHFFFAOYSA-N 1 0 370.413 2.649 20 5 FFBDRO CC[NH+](CC)[C@H](C)CNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000177283658 509977538 /nfs/dbraw/zinc/97/75/38/509977538.db2.gz MPISDGFZTPNBMJ-SNVBAGLBSA-N 1 0 358.236 2.817 20 5 FFBDRO CCc1ccc([C@H]2C[NH2+]CCN2C(=O)c2cc([N+](=O)[O-])cnc2C)cc1 ZINC000261621337 510004071 /nfs/dbraw/zinc/00/40/71/510004071.db2.gz AGQAGZIRBGBEQV-GOSISDBHSA-N 1 0 354.410 2.647 20 5 FFBDRO COc1cc(-c2nc(C3([NH3+])CCCC3)no2)c([N+](=O)[O-])cc1OC(F)F ZINC000261629198 510007904 /nfs/dbraw/zinc/00/79/04/510007904.db2.gz CKXWJACNBCMYBN-UHFFFAOYSA-N 1 0 370.312 2.983 20 5 FFBDRO [NH3+]C[C@@H]1CN(C(=O)CCOc2ccccc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000261640745 510009538 /nfs/dbraw/zinc/00/95/38/510009538.db2.gz FRKJGAIEMVGLFA-SJORKVTESA-N 1 0 369.421 2.565 20 5 FFBDRO C[C@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCN1CCO ZINC000190241703 510022369 /nfs/dbraw/zinc/02/23/69/510022369.db2.gz IHGBHKHWGSLHNF-AWEZNQCLSA-N 1 0 361.467 2.822 20 5 FFBDRO COC(=O)[C@@H](C)[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000177413706 510045755 /nfs/dbraw/zinc/04/57/55/510045755.db2.gz KGNBAQLHDMYGFY-UGSOOPFHSA-N 1 0 371.393 2.673 20 5 FFBDRO COC(=O)[C@@H](O)C1CC[NH+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000180672172 510047584 /nfs/dbraw/zinc/04/75/84/510047584.db2.gz SATTUSPWVNCTDS-SFHVURJKSA-N 1 0 374.393 2.601 20 5 FFBDRO COCC1(CNc2ccc([N+](=O)[O-])cc2Br)CC[NH2+]CC1 ZINC000261780925 510060097 /nfs/dbraw/zinc/06/00/97/510060097.db2.gz WXFNUFQTMHFDMJ-UHFFFAOYSA-N 1 0 358.236 2.785 20 5 FFBDRO C[C@@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000187223788 510135299 /nfs/dbraw/zinc/13/52/99/510135299.db2.gz RGUGCNBEFRNXMQ-KUHUBIRLSA-N 1 0 357.410 2.781 20 5 FFBDRO CCc1ccc([C@@H]2C[NH2+]CCN2C(=O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000262022916 510150732 /nfs/dbraw/zinc/15/07/32/510150732.db2.gz RTFRIMCLKLPYSU-SFHVURJKSA-N 1 0 369.421 2.709 20 5 FFBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)cc1OC ZINC000177599381 510153653 /nfs/dbraw/zinc/15/36/53/510153653.db2.gz FLWMSIRERLNEAM-STQMWFEESA-N 1 0 365.430 2.605 20 5 FFBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)cc1OC ZINC000177599369 510153852 /nfs/dbraw/zinc/15/38/52/510153852.db2.gz FLWMSIRERLNEAM-OLZOCXBDSA-N 1 0 365.430 2.605 20 5 FFBDRO C[N@@H+]1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C2(CCCCC2)C1 ZINC000174569931 510186195 /nfs/dbraw/zinc/18/61/95/510186195.db2.gz RYZYOLBZYNQHRV-UHFFFAOYSA-N 1 0 357.414 2.562 20 5 FFBDRO CC1CC[NH+](CCCCNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000184210532 510195229 /nfs/dbraw/zinc/19/52/29/510195229.db2.gz USMSIPPAHSHGTK-UHFFFAOYSA-N 1 0 369.487 2.526 20 5 FFBDRO C[C@@H](N[C@@H](C)C(=O)N1CC(=O)Nc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000194058780 510196274 /nfs/dbraw/zinc/19/62/74/510196274.db2.gz LPQZJRQZYQAHPG-OLZOCXBDSA-N 1 0 368.393 2.619 20 5 FFBDRO COc1ccc(CN(C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1O ZINC000174626269 510214629 /nfs/dbraw/zinc/21/46/29/510214629.db2.gz WKCFKDRAJINVCW-UHFFFAOYSA-N 1 0 370.365 2.991 20 5 FFBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000184305116 510250910 /nfs/dbraw/zinc/25/09/10/510250910.db2.gz UDPCABYJVYWQGB-UHFFFAOYSA-N 1 0 360.458 2.905 20 5 FFBDRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000269190392 510282464 /nfs/dbraw/zinc/28/24/64/510282464.db2.gz HOUAKQUWFSYISU-KCJUWKMLSA-N 1 0 374.210 2.744 20 5 FFBDRO C[NH+](C)C1(CNC(=O)c2cc(F)ccc2[N+](=O)[O-])Cc2ccccc2C1 ZINC000265903999 510292065 /nfs/dbraw/zinc/29/20/65/510292065.db2.gz DWOXPHALEGCVOR-UHFFFAOYSA-N 1 0 357.385 2.563 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@H](C)C1 ZINC000174782403 510307673 /nfs/dbraw/zinc/30/76/73/510307673.db2.gz RYRGAODWMDIWLJ-CZUORRHYSA-N 1 0 359.430 2.807 20 5 FFBDRO CCCC[NH+]1CCC(NC(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)CC1 ZINC000265939849 510312802 /nfs/dbraw/zinc/31/28/02/510312802.db2.gz ITCIZKDEDJCLHX-UHFFFAOYSA-N 1 0 365.430 2.606 20 5 FFBDRO C[C@@H](Nc1ccc(C(=O)NCC(C)(C)[NH3+])cc1[N+](=O)[O-])c1ccccn1 ZINC000262614316 510335751 /nfs/dbraw/zinc/33/57/51/510335751.db2.gz FOPMVRDKWSOTTP-GFCCVEGCSA-N 1 0 357.414 2.630 20 5 FFBDRO C[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1nc(-c2ccccc2)cs1 ZINC000184516736 510367504 /nfs/dbraw/zinc/36/75/04/510367504.db2.gz GEKQLJGOBBQLON-IUODEOHRSA-N 1 0 373.438 2.627 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C2(c3cccc(Cl)c3)CCCC2)c1 ZINC000181464990 510425984 /nfs/dbraw/zinc/42/59/84/510425984.db2.gz LBQJFFOEGCNLSR-INIZCTEOSA-N 1 0 364.833 2.865 20 5 FFBDRO COc1cc(C(=O)NC2CC[NH+](CC3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000194607036 510442951 /nfs/dbraw/zinc/44/29/51/510442951.db2.gz OQEZMGBNBJXPBE-UHFFFAOYSA-N 1 0 361.442 2.988 20 5 FFBDRO CC[C@@H]([NH2+]CC(=O)NCc1ccc2c(c1)OCO2)c1cccc([N+](=O)[O-])c1 ZINC000181534031 510459786 /nfs/dbraw/zinc/45/97/86/510459786.db2.gz IYDVVMGZMUIWPD-MRXNPFEDSA-N 1 0 371.393 2.681 20 5 FFBDRO C[NH+](C)CCCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000269640073 510495586 /nfs/dbraw/zinc/49/55/86/510495586.db2.gz JNSXHZJOAGYRIN-UHFFFAOYSA-N 1 0 364.627 2.692 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000175138538 510500080 /nfs/dbraw/zinc/50/00/80/510500080.db2.gz IXIFYVGHZIQIKA-HNNXBMFYSA-N 1 0 369.487 2.707 20 5 FFBDRO Cc1csc([C@@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C2CC2)n1 ZINC000181621664 510506204 /nfs/dbraw/zinc/50/62/04/510506204.db2.gz VKUDDOPLHNIZJK-ZBFHGGJFSA-N 1 0 363.439 2.840 20 5 FFBDRO CCc1n[nH]c(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000246483931 510513722 /nfs/dbraw/zinc/51/37/22/510513722.db2.gz LQLQVJSWUHLARN-ZFWWWQNUSA-N 1 0 371.441 2.663 20 5 FFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000178270946 510519596 /nfs/dbraw/zinc/51/95/96/510519596.db2.gz PDJTTXJKZDKIND-UHFFFAOYSA-N 1 0 354.410 2.693 20 5 FFBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000266343325 510529540 /nfs/dbraw/zinc/52/95/40/510529540.db2.gz AWCDBYRBYPMDGS-CYBMUJFWSA-N 1 0 369.849 2.817 20 5 FFBDRO C[C@@H](NC(=O)COc1cccc([N+](=O)[O-])c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181680585 510537268 /nfs/dbraw/zinc/53/72/68/510537268.db2.gz MPPLLRGRYPPENR-CABCVRRESA-N 1 0 361.442 2.743 20 5 FFBDRO C[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266549322 510652139 /nfs/dbraw/zinc/65/21/39/510652139.db2.gz SVIGGZLYSGGMNA-XHDPSFHLSA-N 1 0 372.347 2.864 20 5 FFBDRO CCn1cc([N+](=O)[O-])c(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)n1 ZINC000191462281 510672154 /nfs/dbraw/zinc/67/21/54/510672154.db2.gz XYRNGGSQSDGQLU-UHFFFAOYSA-N 1 0 363.462 2.730 20 5 FFBDRO C[C@H](Cc1ccc(Br)cc1)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000188311760 510703973 /nfs/dbraw/zinc/70/39/73/510703973.db2.gz DYHYDJRJUAPQBN-LLVKDONJSA-N 1 0 353.220 2.775 20 5 FFBDRO O=C1C[C@@H](c2ccccc2)[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CCN1 ZINC000195199080 510713601 /nfs/dbraw/zinc/71/36/01/510713601.db2.gz GYIZLNSPBHHITC-SFHVURJKSA-N 1 0 355.394 2.537 20 5 FFBDRO O=C(CC[N@H+](C[C@@H]1CCOC1)C1CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000185182012 510733403 /nfs/dbraw/zinc/73/34/03/510733403.db2.gz KUXOXIMEEYPWEQ-LBPRGKRZSA-N 1 0 351.378 2.563 20 5 FFBDRO CC(C)(C)OC(=O)CCCC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000182179566 510798972 /nfs/dbraw/zinc/79/89/72/510798972.db2.gz ZVAMXULFXFCIIC-AWEZNQCLSA-N 1 0 364.446 2.988 20 5 FFBDRO COc1cccc(N2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c1[N+](=O)[O-] ZINC000185335524 510811978 /nfs/dbraw/zinc/81/19/78/510811978.db2.gz HQKDAJKKIDNYSB-HUUCEWRRSA-N 1 0 363.458 2.929 20 5 FFBDRO CN(C)c1cccc(C[N@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000182218945 510818885 /nfs/dbraw/zinc/81/88/85/510818885.db2.gz ZGBYUTOSMVQMKF-QGZVFWFLSA-N 1 0 359.426 2.533 20 5 FFBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247079324 510827455 /nfs/dbraw/zinc/82/74/55/510827455.db2.gz NCUHENHJUDJXQU-DOTOQJQBSA-N 1 0 360.458 2.872 20 5 FFBDRO C[C@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccc2c(c1)OCO2 ZINC000182271299 510839943 /nfs/dbraw/zinc/83/99/43/510839943.db2.gz QAUKSEOSWUAUGP-LBPRGKRZSA-N 1 0 369.377 2.563 20 5 FFBDRO C[C@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccc2c(c1)OCO2 ZINC000182286307 510844113 /nfs/dbraw/zinc/84/41/13/510844113.db2.gz WBTTUXWTRDXZFL-LBPRGKRZSA-N 1 0 369.377 2.563 20 5 FFBDRO COc1cc(C[N@H+](C)C[C@@H]2CCC[C@H]2O)c([N+](=O)[O-])cc1OC(F)F ZINC000247246078 510853925 /nfs/dbraw/zinc/85/39/25/510853925.db2.gz ZSFNGCBDQBEYJN-GXFFZTMASA-N 1 0 360.357 2.798 20 5 FFBDRO CC[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000247645661 510867582 /nfs/dbraw/zinc/86/75/82/510867582.db2.gz UIGBNJQJUQRWTH-GUDVDZBRSA-N 1 0 358.442 2.810 20 5 FFBDRO C[C@@H]1C[C@H](c2cccnc2)[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000364527095 510916421 /nfs/dbraw/zinc/91/64/21/510916421.db2.gz JTKUQFOLHOCPEZ-LSBZLQRGSA-N 1 0 357.410 2.813 20 5 FFBDRO CC(C)[C@@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)c1nncn1C ZINC000285500323 510931840 /nfs/dbraw/zinc/93/18/40/510931840.db2.gz XMGZXBWAFQOPMP-QGZVFWFLSA-N 1 0 370.413 2.908 20 5 FFBDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3Cl)C2)C1 ZINC000294084659 510950451 /nfs/dbraw/zinc/95/04/51/510950451.db2.gz JVSQXERGWUWWEU-KRWDZBQOSA-N 1 0 351.834 2.735 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000285599114 510972085 /nfs/dbraw/zinc/97/20/85/510972085.db2.gz PLYPOAPZQIIPDX-RDJZCZTQSA-N 1 0 360.458 2.790 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[N@H+](C)CC1(C)C ZINC000330553693 510998721 /nfs/dbraw/zinc/99/87/21/510998721.db2.gz GHDJTXUXBLAVBG-LLVKDONJSA-N 1 0 355.822 2.568 20 5 FFBDRO CCOc1ccc(C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000361171831 511006835 /nfs/dbraw/zinc/00/68/35/511006835.db2.gz ZVVDSLGABXOXRX-INIZCTEOSA-N 1 0 361.442 2.797 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)c1 ZINC000282535298 511017486 /nfs/dbraw/zinc/01/74/86/511017486.db2.gz VJWQYJLUPSMZAE-ZMMAXQRCSA-N 1 0 356.426 2.563 20 5 FFBDRO Cc1c(-c2cc(C[N@H+](C)CCc3cccc([N+](=O)[O-])c3)on2)cnn1C ZINC000282552509 511022796 /nfs/dbraw/zinc/02/27/96/511022796.db2.gz XJJMTPWLVUFBRO-UHFFFAOYSA-N 1 0 355.398 2.966 20 5 FFBDRO C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000364725627 511045103 /nfs/dbraw/zinc/04/51/03/511045103.db2.gz ZXXYXNBCELMKJM-KBXCAEBGSA-N 1 0 366.893 2.706 20 5 FFBDRO C[NH+](C)CCCC1CCN(C(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000271106677 511085408 /nfs/dbraw/zinc/08/54/08/511085408.db2.gz MLKLWZPKDVGLDF-UHFFFAOYSA-N 1 0 362.474 2.901 20 5 FFBDRO O=C(NCCC[C@@H]1CCC[NH2+]1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000294731204 511159216 /nfs/dbraw/zinc/15/92/16/511159216.db2.gz BQCKNXMTLWLDHE-HNNXBMFYSA-N 1 0 360.458 2.847 20 5 FFBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000298087475 511170910 /nfs/dbraw/zinc/17/09/10/511170910.db2.gz ZPCZXYMNLHDZSI-LBPRGKRZSA-N 1 0 366.437 2.602 20 5 FFBDRO COCCCN(C(=O)/C=C/c1ccccc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000291473997 511211734 /nfs/dbraw/zinc/21/17/34/511211734.db2.gz QSRKQQQQMXKIAB-CMDGGOBGSA-N 1 0 361.442 2.567 20 5 FFBDRO Cc1nc(N2CCC3(C[C@@H]3N(C)Cc3nccs3)CC2)ncc1[N+](=O)[O-] ZINC000294903391 511214322 /nfs/dbraw/zinc/21/43/22/511214322.db2.gz HGQZZRRESJEUEB-AWEZNQCLSA-N 1 0 374.470 2.641 20 5 FFBDRO CCOc1cc(N2CC[NH+](CCc3ccnn3CC)CC2)ccc1[N+](=O)[O-] ZINC000283111470 511239533 /nfs/dbraw/zinc/23/95/33/511239533.db2.gz MPSDIJPGDVKGDE-UHFFFAOYSA-N 1 0 373.457 2.575 20 5 FFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC000271539929 511239582 /nfs/dbraw/zinc/23/95/82/511239582.db2.gz UBNVZBSQDPWWMP-ZDUSSCGKSA-N 1 0 372.512 2.880 20 5 FFBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000294990555 511245424 /nfs/dbraw/zinc/24/54/24/511245424.db2.gz OORAIVXAOZSGQJ-OAHLLOKOSA-N 1 0 361.442 2.748 20 5 FFBDRO C[C@H]1C[C@@H](C(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000279887721 511254586 /nfs/dbraw/zinc/25/45/86/511254586.db2.gz OJDQJZKDPKCTAG-QWRGUYRKSA-N 1 0 374.363 2.530 20 5 FFBDRO CC(=O)N1CCC[C@@H](C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000279911587 511263253 /nfs/dbraw/zinc/26/32/53/511263253.db2.gz WUPBYWJTMNEVGV-LBPRGKRZSA-N 1 0 357.357 2.544 20 5 FFBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)CC1 ZINC000295071888 511271183 /nfs/dbraw/zinc/27/11/83/511271183.db2.gz DAMFXRHUEIADLW-AWEZNQCLSA-N 1 0 357.414 2.541 20 5 FFBDRO C[C@@H]1Cc2ncn(CCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)c2C[C@H]1C ZINC000295107259 511283754 /nfs/dbraw/zinc/28/37/54/511283754.db2.gz HDKWOHNPEXESJW-CHWSQXEVSA-N 1 0 363.439 2.636 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(c2ccncn2)CC1 ZINC000298453313 511289930 /nfs/dbraw/zinc/28/99/30/511289930.db2.gz RCWFRAUXAIMECS-UHFFFAOYSA-N 1 0 369.425 2.901 20 5 FFBDRO CC(=O)c1ccc(OC[C@@H](O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000271719648 511299850 /nfs/dbraw/zinc/29/98/50/511299850.db2.gz XNLLLXVCXFTWAL-UGSOOPFHSA-N 1 0 358.394 2.888 20 5 FFBDRO O=C(c1cc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000363021318 511300852 /nfs/dbraw/zinc/30/08/52/511300852.db2.gz KZZOMSODTICKCX-HZPDHXFCSA-N 1 0 358.442 2.870 20 5 FFBDRO COc1cccc(C2([NH2+]CC(=O)Nc3ccc([N+](=O)[O-])cc3OC)CC2)c1 ZINC000271739587 511307083 /nfs/dbraw/zinc/30/70/83/511307083.db2.gz VMHBSCWZCIZODC-UHFFFAOYSA-N 1 0 371.393 2.829 20 5 FFBDRO CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C[NH2+]C)cc2)cc1OC ZINC000295215307 511325186 /nfs/dbraw/zinc/32/51/86/511325186.db2.gz MAKKPTYRCAOULY-UHFFFAOYSA-N 1 0 359.382 2.974 20 5 FFBDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)c3cc(C(F)(F)F)ccc3[N+](=O)[O-])C2)C1 ZINC000295223220 511327527 /nfs/dbraw/zinc/32/75/27/511327527.db2.gz BHEUAZHFCBKNHB-OAHLLOKOSA-N 1 0 357.332 2.781 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000298698210 511379447 /nfs/dbraw/zinc/37/94/47/511379447.db2.gz ZSKUUYKHUGMLKW-CVEARBPZSA-N 1 0 363.414 2.575 20 5 FFBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H]2COC3(CCOCC3)O2)cc1[N+](=O)[O-] ZINC000272076479 511423753 /nfs/dbraw/zinc/42/37/53/511423753.db2.gz VSWLLZMVPMTJSR-HIFRSBDPSA-N 1 0 366.414 2.566 20 5 FFBDRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)cc2)CC1 ZINC000272104284 511432513 /nfs/dbraw/zinc/43/25/13/511432513.db2.gz MECCUZKRSMTNRU-UHFFFAOYSA-N 1 0 357.414 2.706 20 5 FFBDRO CCC(O)(CC)C[NH2+]Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000272236835 511475265 /nfs/dbraw/zinc/47/52/65/511475265.db2.gz AEUNNOOJEGCOIM-UHFFFAOYSA-N 1 0 362.373 2.888 20 5 FFBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC[N@@H+](C2CCCC2)CC1 ZINC000365480205 511475534 /nfs/dbraw/zinc/47/55/34/511475534.db2.gz HAURZZXRCARDLP-HNNXBMFYSA-N 1 0 360.458 2.872 20 5 FFBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000283724813 511475762 /nfs/dbraw/zinc/47/57/62/511475762.db2.gz WEMCCMQKKXYZLQ-KRWDZBQOSA-N 1 0 362.474 2.899 20 5 FFBDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000272258752 511482898 /nfs/dbraw/zinc/48/28/98/511482898.db2.gz MMANXTPZYACIRC-LSDHHAIUSA-N 1 0 360.458 2.785 20 5 FFBDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)NCCc3ccc(Cl)cc3[N+](=O)[O-])C2)C1 ZINC000292177837 511494286 /nfs/dbraw/zinc/49/42/86/511494286.db2.gz FCFRFFZZVNAQOS-QGZVFWFLSA-N 1 0 366.849 2.528 20 5 FFBDRO C[C@H](CCCC[NH3+])NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000292208211 511507054 /nfs/dbraw/zinc/50/70/54/511507054.db2.gz YSAQHTUXPRCAQF-MRVPVSSYSA-N 1 0 362.199 2.744 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000299243283 511563433 /nfs/dbraw/zinc/56/34/33/511563433.db2.gz XNDDAVMLIJJMPV-INIZCTEOSA-N 1 0 369.421 2.998 20 5 FFBDRO O=[N+]([O-])c1cnn(CCc2nc(-c3ccc(C[NH+]4CCCC4)cc3)no2)c1 ZINC000273668606 511569029 /nfs/dbraw/zinc/56/90/29/511569029.db2.gz GCHUVKUSOJDCOD-UHFFFAOYSA-N 1 0 368.397 2.680 20 5 FFBDRO CC(C)(C)[NH+]1CCC(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000299295292 511582071 /nfs/dbraw/zinc/58/20/71/511582071.db2.gz MVRFJSCRFIKLRO-UHFFFAOYSA-N 1 0 358.442 2.929 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])o1)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000299307722 511586778 /nfs/dbraw/zinc/58/67/78/511586778.db2.gz BPWTZLGOAVACSG-UHFFFAOYSA-N 1 0 355.394 2.851 20 5 FFBDRO Cc1n[nH]c(C(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000299436775 511635184 /nfs/dbraw/zinc/63/51/84/511635184.db2.gz HYUOBDHKCJIWQA-CYBMUJFWSA-N 1 0 371.441 2.788 20 5 FFBDRO Cc1n[nH]c(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000299447818 511639489 /nfs/dbraw/zinc/63/94/89/511639489.db2.gz OPEMYYUPCOTEEC-CYBMUJFWSA-N 1 0 371.441 2.931 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2nnc(C[NH2+][C@@H]3[C@H]4CCO[C@@H]4C34CCC4)o2)cc1 ZINC000296195486 511651384 /nfs/dbraw/zinc/65/13/84/511651384.db2.gz LVWGDADQTZDKJO-BMFZPTHFSA-N 1 0 356.382 2.692 20 5 FFBDRO O=C(c1cc(N2CCC[N@@H+]3CCC[C@H]3C2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000363636490 511672191 /nfs/dbraw/zinc/67/21/91/511672191.db2.gz BXCCSGVQVFTAAW-INIZCTEOSA-N 1 0 358.442 2.505 20 5 FFBDRO C[NH+]1CCC(CC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000292697166 511689499 /nfs/dbraw/zinc/68/94/99/511689499.db2.gz CAYFOQWLTYBSEB-UHFFFAOYSA-N 1 0 359.348 2.962 20 5 FFBDRO COc1cc(C[N@@H+]2CC[C@](O)(C3CC3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000365856524 511690245 /nfs/dbraw/zinc/69/02/45/511690245.db2.gz JHKNLMKOJCIUIJ-QGZVFWFLSA-N 1 0 372.368 2.594 20 5 FFBDRO CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000284360434 511697157 /nfs/dbraw/zinc/69/71/57/511697157.db2.gz KRQLJYHJULPHHC-KRWDZBQOSA-N 1 0 370.457 2.938 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC2CC[NH+](CC3CC3)CC2)c1 ZINC000281075070 511710780 /nfs/dbraw/zinc/71/07/80/511710780.db2.gz FKYFAPINRGFZGS-UHFFFAOYSA-N 1 0 361.442 2.663 20 5 FFBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CC[NH+](C3CCOCC3)CC2)c1 ZINC000292813960 511730399 /nfs/dbraw/zinc/73/03/99/511730399.db2.gz NLLMSIQAJXLPER-UHFFFAOYSA-N 1 0 373.375 2.910 20 5 FFBDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000303514421 511739769 /nfs/dbraw/zinc/73/97/69/511739769.db2.gz PBADEEMBKRYBAR-LBPRGKRZSA-N 1 0 366.437 2.947 20 5 FFBDRO Cn1cc(CN2CC[C@@]3(CC[N@H+](C)C3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000292897553 511763847 /nfs/dbraw/zinc/76/38/47/511763847.db2.gz ZOIJUBQXPRFAMC-LJQANCHMSA-N 1 0 355.442 2.523 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000312178384 511782513 /nfs/dbraw/zinc/78/25/13/511782513.db2.gz PWQIHRGIWJOSGY-HNNXBMFYSA-N 1 0 370.409 2.853 20 5 FFBDRO COC(=O)c1sccc1NC(=O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296531147 511784394 /nfs/dbraw/zinc/78/43/94/511784394.db2.gz DCGUSAOREZWAOJ-JTQLQIEISA-N 1 0 363.395 2.732 20 5 FFBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000363825259 511791000 /nfs/dbraw/zinc/79/10/00/511791000.db2.gz PLHLTOOQHIRUQU-PIDBWSNSSA-N 1 0 373.453 2.708 20 5 FFBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+][C@H]1CCCc2c1cnn2CCO)C1CC1 ZINC000363832457 511794297 /nfs/dbraw/zinc/79/42/97/511794297.db2.gz SDASAEZJXMNTAY-ZWKOTPCHSA-N 1 0 370.453 2.772 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@](CO)(C(C)C)C1 ZINC000293015932 511807255 /nfs/dbraw/zinc/80/72/55/511807255.db2.gz KEZDEBRHUPHINE-LJQANCHMSA-N 1 0 363.458 2.962 20 5 FFBDRO O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc([N+](=O)[O-])cn1 ZINC000363871243 511820794 /nfs/dbraw/zinc/82/07/94/511820794.db2.gz AQIFNVZBWZQERG-CYBMUJFWSA-N 1 0 360.439 2.693 20 5 FFBDRO CCNC(=O)C[C@H]1CCCC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000284772676 511863325 /nfs/dbraw/zinc/86/33/25/511863325.db2.gz MVCYTIAMIUGJID-CQSZACIVSA-N 1 0 373.413 2.526 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)c1 ZINC000281482492 511863901 /nfs/dbraw/zinc/86/39/01/511863901.db2.gz GZTWYSXRNXJBQD-INIZCTEOSA-N 1 0 363.458 2.766 20 5 FFBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCC(=O)N(C)[C@H]2c2ccnn2C)cccc1[N+](=O)[O-] ZINC000284789360 511869607 /nfs/dbraw/zinc/86/96/07/511869607.db2.gz JLUSXEBVWUVCAD-ZBQZNYHESA-N 1 0 371.441 2.649 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000284857425 511901606 /nfs/dbraw/zinc/90/16/06/511901606.db2.gz RVQVVTREFMEGQZ-RDJZCZTQSA-N 1 0 363.414 2.575 20 5 FFBDRO Cc1ncc(C[N@@H+]2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)s1 ZINC000274873351 511971589 /nfs/dbraw/zinc/97/15/89/511971589.db2.gz XUKQMZYRNSWZCP-UHFFFAOYSA-N 1 0 372.454 2.948 20 5 FFBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000293503314 511988993 /nfs/dbraw/zinc/98/89/93/511988993.db2.gz UQGQUGFFLCNFKB-GRYCIOLGSA-N 1 0 354.838 2.600 20 5 FFBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000366382902 511991078 /nfs/dbraw/zinc/99/10/78/511991078.db2.gz BUXNARYJOAHEJI-NVXWUHKLSA-N 1 0 358.442 2.896 20 5 FFBDRO CC[NH+](CC)CCOc1ccccc1NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000274931030 511991523 /nfs/dbraw/zinc/99/15/23/511991523.db2.gz BCZDAWMEFUPVNE-UHFFFAOYSA-N 1 0 374.397 2.668 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N[C@@H]3CCC[NH2+]CC3)cc2[N+](=O)[O-])CC1 ZINC000364174982 512001207 /nfs/dbraw/zinc/00/12/07/512001207.db2.gz YROSVCKWOAUZFS-MRXNPFEDSA-N 1 0 360.458 2.703 20 5 FFBDRO Cc1ccc([C@@H](C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)N2CCOCC2)o1 ZINC000293609394 512026230 /nfs/dbraw/zinc/02/62/30/512026230.db2.gz GNGJDHXFQCMVHT-KBXCAEBGSA-N 1 0 374.441 2.803 20 5 FFBDRO C[C@@H]([NH2+][C@@H](CN1CCOCC1)c1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293617652 512028760 /nfs/dbraw/zinc/02/87/60/512028760.db2.gz GYRPGTMXNMVDCM-BEFAXECRSA-N 1 0 370.453 2.901 20 5 FFBDRO C[C@@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])C1CCS(=O)(=O)CC1 ZINC000275158249 512058677 /nfs/dbraw/zinc/05/86/77/512058677.db2.gz AAIKOENPPADDOU-LLVKDONJSA-N 1 0 360.863 2.594 20 5 FFBDRO C[NH+]1CCC2(CCCN2C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 ZINC000367354010 512459796 /nfs/dbraw/zinc/45/97/96/512459796.db2.gz QFPDNXNEBGAYFH-UHFFFAOYSA-N 1 0 372.469 2.895 20 5 FFBDRO CC(C)[NH+]1CCN([C@@H]2CCN(Cc3ccc(Cl)cc3[N+](=O)[O-])C2)CC1 ZINC000377830022 512471984 /nfs/dbraw/zinc/47/19/84/512471984.db2.gz AFKGEUCTJQCEEJ-QGZVFWFLSA-N 1 0 366.893 2.849 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000373760737 512492683 /nfs/dbraw/zinc/49/26/83/512492683.db2.gz MAZABDGXZMHTLW-CQSZACIVSA-N 1 0 357.414 2.979 20 5 FFBDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@@H+]2Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000375787602 512505905 /nfs/dbraw/zinc/50/59/05/512505905.db2.gz HHHZSISWFJBKNM-RFLUGMABSA-N 1 0 356.382 2.500 20 5 FFBDRO CN(Cc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000371702595 512535386 /nfs/dbraw/zinc/53/53/86/512535386.db2.gz FQGACNRXFBCRIS-KRWDZBQOSA-N 1 0 366.893 2.849 20 5 FFBDRO Cn1nccc1N1CCC[C@@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000376028129 512624425 /nfs/dbraw/zinc/62/44/25/512624425.db2.gz IKAQXWXZWJBEGB-QZTJIDSGSA-N 1 0 369.469 2.908 20 5 FFBDRO C[C@@H]1C[C@@]2(CCO1)CN(Cc1nc3cc([N+](=O)[O-])ccc3o1)C[C@@H](C)O2 ZINC000374018074 512624852 /nfs/dbraw/zinc/62/48/52/512624852.db2.gz MVMLEZMKXPQCDR-VFVRVIDISA-N 1 0 361.398 2.894 20 5 FFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000378220331 512645727 /nfs/dbraw/zinc/64/57/27/512645727.db2.gz CBDKKRVJNMWELG-MRXNPFEDSA-N 1 0 351.834 2.781 20 5 FFBDRO Cn1cc([C@H](O)C[C@@H]2CCC[N@@H+]2C/C=C/c2ccccc2[N+](=O)[O-])cn1 ZINC000374258055 512731711 /nfs/dbraw/zinc/73/17/11/512731711.db2.gz ULOBHHVIHUHGCP-ABTXCIMASA-N 1 0 356.426 2.930 20 5 FFBDRO O=C(CC[NH2+][C@]1(CO)CCCc2ccccc21)Nc1ccccc1[N+](=O)[O-] ZINC000411679641 512754393 /nfs/dbraw/zinc/75/43/93/512754393.db2.gz VUVMHVBZNXCWLT-FQEVSTJZSA-N 1 0 369.421 2.737 20 5 FFBDRO Cc1c(C(=O)NC2CC([NH+]3CCCCC3)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000370109781 512772351 /nfs/dbraw/zinc/77/23/51/512772351.db2.gz CVEBPZNSXCPNGZ-UHFFFAOYSA-N 1 0 362.386 2.558 20 5 FFBDRO O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000368032894 512772742 /nfs/dbraw/zinc/77/27/42/512772742.db2.gz ADLHSWKJWOMPPX-CYBMUJFWSA-N 1 0 369.368 2.897 20 5 FFBDRO Cc1c(NC(=O)CC[N@@H+]2CC[C@H](C3CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000374356448 512786964 /nfs/dbraw/zinc/78/69/64/512786964.db2.gz IDRBWOYXGJNHJX-INIZCTEOSA-N 1 0 361.442 2.980 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CC[C@@H](C4CCOCC4)C3)n2)c1 ZINC000374357820 512787895 /nfs/dbraw/zinc/78/78/95/512787895.db2.gz KBMITQPQPASLHZ-OAHLLOKOSA-N 1 0 358.398 2.893 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000378500218 512792635 /nfs/dbraw/zinc/79/26/35/512792635.db2.gz WQIZPYJOUKKORH-BBRMVZONSA-N 1 0 354.410 2.747 20 5 FFBDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000370162097 512796728 /nfs/dbraw/zinc/79/67/28/512796728.db2.gz NLUHUNMLIITXJN-OAHLLOKOSA-N 1 0 354.410 2.524 20 5 FFBDRO CO[C@H]1c2ccccc2C[C@H]1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411889022 512862483 /nfs/dbraw/zinc/86/24/83/512862483.db2.gz BTZSIYHGNIKQDZ-MJGOQNOKSA-N 1 0 355.394 2.825 20 5 FFBDRO CN(c1c2cc(Br)ccc2ncc1[N+](=O)[O-])C1CC([NH3+])C1 ZINC000384853605 512884084 /nfs/dbraw/zinc/88/40/84/512884084.db2.gz CAKPFKJFXHVUJR-UHFFFAOYSA-N 1 0 351.204 2.831 20 5 FFBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)CCOc3ccc(Cl)cc3[N+](=O)[O-])C[C@@H]21 ZINC000374592377 512907092 /nfs/dbraw/zinc/90/70/92/512907092.db2.gz GNTIHFPSGDAZOW-KWCYVHTRSA-N 1 0 367.833 2.603 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]2)c(Cl)c1 ZINC000392134116 512922428 /nfs/dbraw/zinc/92/24/28/512922428.db2.gz JCBMPNOBEUOVNN-ZIAGYGMSSA-N 1 0 373.862 2.543 20 5 FFBDRO O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000368386171 512924217 /nfs/dbraw/zinc/92/42/17/512924217.db2.gz VAEDVGSRDLNRHQ-GXTWGEPZSA-N 1 0 358.423 2.542 20 5 FFBDRO COC(=O)[C@@]1(C)CCC[N@@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000412079912 512948727 /nfs/dbraw/zinc/94/87/27/512948727.db2.gz VJFVADUOZQQRAL-XIKOKIGWSA-N 1 0 374.397 2.981 20 5 FFBDRO CC(C)Oc1cc(C(=O)NC[C@@]2([NH+](C)C)CCSC2)ccc1[N+](=O)[O-] ZINC000412157515 512980813 /nfs/dbraw/zinc/98/08/13/512980813.db2.gz FRFCOJDHFMLJBA-KRWDZBQOSA-N 1 0 367.471 2.549 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(CC(=O)NCC(C)(C)C[NH+]2CCCC2)c1F ZINC000412280714 513022358 /nfs/dbraw/zinc/02/23/58/513022358.db2.gz CPBUVCRROVNIMO-UHFFFAOYSA-N 1 0 367.421 2.523 20 5 FFBDRO O=C(CC[N@@H+]1CC[C@@H](Cc2ccncc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000368621176 513029259 /nfs/dbraw/zinc/02/92/59/513029259.db2.gz HWMKKVICYKNIOC-INIZCTEOSA-N 1 0 354.410 2.883 20 5 FFBDRO NC(=O)c1ccccc1N1CC[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000370830566 513116352 /nfs/dbraw/zinc/11/63/52/513116352.db2.gz OBGLOQZFVAASDM-CYBMUJFWSA-N 1 0 374.828 2.716 20 5 FFBDRO COc1ccc(C[NH2+]C[C@@]2(CO)C[C@@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000428553550 513128919 /nfs/dbraw/zinc/12/89/19/513128919.db2.gz XIYOPPCELOHGGD-VQIMIIECSA-N 1 0 360.385 2.998 20 5 FFBDRO CO[C@@H]1C[C@H]([NH2+][C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1(C)C ZINC000439625664 513153442 /nfs/dbraw/zinc/15/34/42/513153442.db2.gz SFSJMYQFPPUVRU-QCZZGDTMSA-N 1 0 355.822 2.978 20 5 FFBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000417730502 513183899 /nfs/dbraw/zinc/18/38/99/513183899.db2.gz QXXSVFQNQPOTKJ-GVDBMIGSSA-N 1 0 360.458 2.605 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)c1C ZINC000440080059 513242771 /nfs/dbraw/zinc/24/27/71/513242771.db2.gz QJAMHRIVIRAFSB-JSGCOSHPSA-N 1 0 369.487 2.610 20 5 FFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[N@@H+]([C@H]2C[C@H]2C)C[C@H](C)C1 ZINC000428997140 513246832 /nfs/dbraw/zinc/24/68/32/513246832.db2.gz RYVYKWQUXBKSLB-ADAWSYLGSA-N 1 0 360.458 2.584 20 5 FFBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H](C)C1 ZINC000429012248 513251531 /nfs/dbraw/zinc/25/15/31/513251531.db2.gz SVAROROQNREWGK-JKIFEVAISA-N 1 0 371.441 2.807 20 5 FFBDRO C[C@H]1CN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)Cc2ccccc2O1 ZINC000429120561 513282423 /nfs/dbraw/zinc/28/24/23/513282423.db2.gz BBXIDDDZKVEUTD-AWEZNQCLSA-N 1 0 367.405 2.767 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000415501477 513296025 /nfs/dbraw/zinc/29/60/25/513296025.db2.gz MOKKUVVLAPNITQ-MRXNPFEDSA-N 1 0 362.430 2.845 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCc2ccc([C@@H](C)[NH3+])cc2)c1C ZINC000440422214 513318490 /nfs/dbraw/zinc/31/84/90/513318490.db2.gz RLAWPIIDZNTGPE-CYBMUJFWSA-N 1 0 363.439 2.710 20 5 FFBDRO O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000434439945 513323448 /nfs/dbraw/zinc/32/34/48/513323448.db2.gz WIBOXUGNHXFZIO-OAHLLOKOSA-N 1 0 369.425 2.527 20 5 FFBDRO CCC1(CC)[C@H]([NH2+]CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@H]1OC ZINC000429299653 513333083 /nfs/dbraw/zinc/33/30/83/513333083.db2.gz ZUHKKCWGIYBDEZ-IAGOWNOFSA-N 1 0 361.442 2.667 20 5 FFBDRO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000450828960 513358433 /nfs/dbraw/zinc/35/84/33/513358433.db2.gz OHWXIOLWHPYOEX-YOGCLGLASA-N 1 0 351.378 2.948 20 5 FFBDRO Cc1c(NC(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)cc(Br)cc1[N+](=O)[O-] ZINC000415660651 513367412 /nfs/dbraw/zinc/36/74/12/513367412.db2.gz POALEXOYURYYBS-MWLCHTKSSA-N 1 0 371.235 2.915 20 5 FFBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000415702244 513389737 /nfs/dbraw/zinc/38/97/37/513389737.db2.gz PMCBVUTVMLWIPU-DTWKUNHWSA-N 1 0 357.208 2.558 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N[C@H]3CCC[NH2+][C@H]3C)cc2[N+](=O)[O-])C1 ZINC000434699972 513398920 /nfs/dbraw/zinc/39/89/20/513398920.db2.gz PSIGCEZRZWEUKY-YCPHGPKFSA-N 1 0 360.458 2.701 20 5 FFBDRO Cn1ccnc1C(=O)c1ccc(NC(C)(C)C[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000450950182 513421216 /nfs/dbraw/zinc/42/12/16/513421216.db2.gz MJFCGGSXMBUZLI-UHFFFAOYSA-N 1 0 371.441 2.846 20 5 FFBDRO C[C@H]([C@@H]1Cc2ccccc2O1)[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000441017015 513460298 /nfs/dbraw/zinc/46/02/98/513460298.db2.gz WKDOCOGDMNNWAB-ZTQAJYAQSA-N 1 0 372.421 2.659 20 5 FFBDRO O=C(NCC[C@@H]1CCC[NH2+]C1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000418346987 513475380 /nfs/dbraw/zinc/47/53/80/513475380.db2.gz NDNOLIXNNRUDGJ-DOTOQJQBSA-N 1 0 360.458 2.874 20 5 FFBDRO COc1ccc(OCC[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000447507333 513491510 /nfs/dbraw/zinc/49/15/10/513491510.db2.gz MSSPJMVSIXGWEI-DLBZAZTESA-N 1 0 360.414 2.952 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N[C@H]3CC[NH2+][C@@H](C)C3)cc2[N+](=O)[O-])C1 ZINC000447510821 513493316 /nfs/dbraw/zinc/49/33/16/513493316.db2.gz JMTBDWXCPVPQHS-YCPHGPKFSA-N 1 0 360.458 2.701 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@H]2COc3ccccc3O2)n1 ZINC000447511748 513493587 /nfs/dbraw/zinc/49/35/87/513493587.db2.gz NGUZWRWAOBHPRV-SOUVJXGZSA-N 1 0 358.398 2.705 20 5 FFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]Cc2cccnc2-n2cccn2)n1 ZINC000447550483 513505602 /nfs/dbraw/zinc/50/56/02/513505602.db2.gz NIICQJXXHWNNRD-HOTGVXAUSA-N 1 0 367.413 2.646 20 5 FFBDRO CN(C(=O)C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)C1CCCCC1 ZINC000447586945 513515984 /nfs/dbraw/zinc/51/59/84/513515984.db2.gz OEZGNTNSYBAUER-CVEARBPZSA-N 1 0 363.462 2.656 20 5 FFBDRO [NH3+]CC[C@H](NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)C(F)(F)F ZINC000416005179 513533915 /nfs/dbraw/zinc/53/39/15/513533915.db2.gz JHHMYRZCAKVXGN-ZDUSSCGKSA-N 1 0 360.336 2.549 20 5 FFBDRO COC(=O)CC1([NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])CCC1 ZINC000425457597 513576728 /nfs/dbraw/zinc/57/67/28/513576728.db2.gz LJJWQGDQBMQIRJ-UHFFFAOYSA-N 1 0 357.204 2.933 20 5 FFBDRO C[C@H](C[NH+]1CCCCC1)Nc1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000447807176 513576892 /nfs/dbraw/zinc/57/68/92/513576892.db2.gz QHCFQLMAPRQVRJ-MRXNPFEDSA-N 1 0 362.474 2.713 20 5 FFBDRO COCC[C@]1([NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])CCOC1 ZINC000425477339 513588030 /nfs/dbraw/zinc/58/80/30/513588030.db2.gz MIZIBWOWBDCXTK-AWEZNQCLSA-N 1 0 359.220 2.643 20 5 FFBDRO CN(C(=O)[C@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1)c1ccccc1 ZINC000430306801 513616937 /nfs/dbraw/zinc/61/69/37/513616937.db2.gz XMYRTXPQBCCRGB-INIZCTEOSA-N 1 0 369.421 2.959 20 5 FFBDRO COC(=O)c1cnc(NC[C@H]2CCC[N@@H+]2C2CCCCC2)c([N+](=O)[O-])c1 ZINC000435601868 513633081 /nfs/dbraw/zinc/63/30/81/513633081.db2.gz RHNIDEQFOPYYAZ-OAHLLOKOSA-N 1 0 362.430 2.985 20 5 FFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](O)C[C@H]1[C@H]1CCCOC1 ZINC000451295497 513659620 /nfs/dbraw/zinc/65/96/20/513659620.db2.gz DNSUSYFKQVRWJG-QGTPRVQTSA-N 1 0 364.442 2.744 20 5 FFBDRO CCN(C)C(=O)[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC(C)C)C(C)C ZINC000451319215 513674235 /nfs/dbraw/zinc/67/42/35/513674235.db2.gz ZDJVQHXXTBIGNT-KRWDZBQOSA-N 1 0 351.447 2.975 20 5 FFBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000451339621 513686836 /nfs/dbraw/zinc/68/68/36/513686836.db2.gz ILTBNIWGSFOVTH-PILAGYSTSA-N 1 0 361.442 2.937 20 5 FFBDRO Cc1cc(S(=O)(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)c(C)cc1[N+](=O)[O-] ZINC000416395141 513750883 /nfs/dbraw/zinc/75/08/83/513750883.db2.gz YGENDATXTPHBQP-CQSZACIVSA-N 1 0 367.471 2.507 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H](Oc2ccccc2)C1 ZINC000419319163 513774789 /nfs/dbraw/zinc/77/47/89/513774789.db2.gz VPJPSPBYSVWPAL-SJLPKXTDSA-N 1 0 372.421 2.878 20 5 FFBDRO CO[C@]1(C)C[C@@H]([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1(C)C ZINC000451482196 513777625 /nfs/dbraw/zinc/77/76/25/513777625.db2.gz CJSYFASDFFNSJB-CZUORRHYSA-N 1 0 355.822 2.980 20 5 FFBDRO CC(C)(CNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000448583623 513792948 /nfs/dbraw/zinc/79/29/48/513792948.db2.gz VCKJRULGDKPIHJ-UHFFFAOYSA-N 1 0 361.442 2.938 20 5 FFBDRO CC(C)O[C@@H]1C[C@@H]([NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1(C)C ZINC000451503520 513794092 /nfs/dbraw/zinc/79/40/92/513794092.db2.gz QRIFDPGOFGGTJK-IAGOWNOFSA-N 1 0 361.442 2.666 20 5 FFBDRO CC(C)O[C@@H]1C[C@@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000451511924 513799997 /nfs/dbraw/zinc/79/99/97/513799997.db2.gz ZUTNRZWVWBIYKO-DJIMGWMZSA-N 1 0 352.431 2.516 20 5 FFBDRO COc1cc(C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)c([N+](=O)[O-])cc1F ZINC000448695986 513849419 /nfs/dbraw/zinc/84/94/19/513849419.db2.gz CKYZXQHPJIUYHN-VXGBXAGGSA-N 1 0 353.394 2.735 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](C(C)C)[C@@H](CO)C(C)C ZINC000451595811 513857394 /nfs/dbraw/zinc/85/73/94/513857394.db2.gz KWGKPEXQNPDGLO-YJBOKZPZSA-N 1 0 351.447 2.720 20 5 FFBDRO COc1cc(C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000448712035 513860222 /nfs/dbraw/zinc/86/02/22/513860222.db2.gz HQAQGUYJPPGVSG-BETUJISGSA-N 1 0 367.421 2.840 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]([C@@H](CO)C1CC1)C1CC1 ZINC000451612931 513865560 /nfs/dbraw/zinc/86/55/60/513865560.db2.gz QLTXHCQERMFUSS-QFBILLFUSA-N 1 0 361.442 2.619 20 5 FFBDRO Cc1cc(C)c(S(=O)(=O)N(C)C(C)(C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000416668075 513898405 /nfs/dbraw/zinc/89/84/05/513898405.db2.gz ZHBCUAFNWVTBKI-UHFFFAOYSA-N 1 0 369.487 2.707 20 5 FFBDRO NC(=O)CC[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@H]1CCOc2ccccc21 ZINC000451711624 513932132 /nfs/dbraw/zinc/93/21/32/513932132.db2.gz MTIYNLYLKISBKW-SFHVURJKSA-N 1 0 369.421 2.839 20 5 FFBDRO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000451769891 513969627 /nfs/dbraw/zinc/96/96/27/513969627.db2.gz BICSHEILOZWKEC-CABCVRRESA-N 1 0 363.414 2.553 20 5 FFBDRO CO[C@@H]([C@@H](C)[NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000414181278 514000458 /nfs/dbraw/zinc/00/04/58/514000458.db2.gz LYDIPUINLURQIN-FCHSOHFDSA-N 1 0 355.822 2.978 20 5 FFBDRO C[NH+](C)C1(CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CCCCCC1 ZINC000443712674 514026906 /nfs/dbraw/zinc/02/69/06/514026906.db2.gz UMKVRZGVDGCSIL-UHFFFAOYSA-N 1 0 369.487 2.669 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](O)CN1CCc2ccccc2C1 ZINC000449071329 514059398 /nfs/dbraw/zinc/05/93/98/514059398.db2.gz AZEKDWPYHWUQOF-UZLBHIALSA-N 1 0 369.465 2.535 20 5 FFBDRO Cc1cc(N2CC[C@H]3C[NH2+]C[C@H]3CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000420256564 514061551 /nfs/dbraw/zinc/06/15/51/514061551.db2.gz HLBMCRQMJRDQEE-IYBDPMFKSA-N 1 0 353.426 2.796 20 5 FFBDRO CCc1cc(N2CC[C@H]3C[NH2+]C[C@@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000420253131 514061777 /nfs/dbraw/zinc/06/17/77/514061777.db2.gz DBHXYXACFOLGRN-LSDHHAIUSA-N 1 0 353.426 2.660 20 5 FFBDRO COc1cccc(C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000443914244 514069524 /nfs/dbraw/zinc/06/95/24/514069524.db2.gz DYVYPSNIEFNMHY-OAHLLOKOSA-N 1 0 357.410 2.506 20 5 FFBDRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2Nc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000420294793 514076253 /nfs/dbraw/zinc/07/62/53/514076253.db2.gz ZKYUYAXSHJZUQV-JOUKPKRSSA-N 1 0 368.437 2.919 20 5 FFBDRO O=[N+]([O-])c1cccc2c(N3CCC[C@H](C[NH+]4CCOCC4)C3)ccnc21 ZINC000432137465 514105487 /nfs/dbraw/zinc/10/54/87/514105487.db2.gz DVGQIKWMKPMKJL-OAHLLOKOSA-N 1 0 356.426 2.692 20 5 FFBDRO [NH3+]C[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CCCCC1 ZINC000420354718 514107709 /nfs/dbraw/zinc/10/77/09/514107709.db2.gz BJKYCWITQCTICR-OAHLLOKOSA-N 1 0 354.838 2.684 20 5 FFBDRO CSCC1CCC([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000449239077 514126540 /nfs/dbraw/zinc/12/65/40/514126540.db2.gz UOYBQFHUKXSISS-UHFFFAOYSA-N 1 0 372.512 2.880 20 5 FFBDRO Cc1c(NC(=O)[C@@H](C)N2C[C@H]([NH3+])Cc3ccccc32)cccc1[N+](=O)[O-] ZINC000420396795 514129915 /nfs/dbraw/zinc/12/99/15/514129915.db2.gz DSVFOMSRYQORAV-UKRRQHHQSA-N 1 0 354.410 2.620 20 5 FFBDRO COC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000414496079 514149064 /nfs/dbraw/zinc/14/90/64/514149064.db2.gz YLAPGLRXXDBHAC-ROUUACIJSA-N 1 0 371.437 2.944 20 5 FFBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)C1CCN(CC(F)(F)F)CC1 ZINC000452044003 514157842 /nfs/dbraw/zinc/15/78/42/514157842.db2.gz VOBOJZJDLOWMME-UHFFFAOYSA-N 1 0 361.364 2.932 20 5 FFBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000423582628 514176922 /nfs/dbraw/zinc/17/69/22/514176922.db2.gz AUMZEHCNGZVKJA-TXEJJXNPSA-N 1 0 355.847 2.693 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@H](O)[C@H](CO)C3)o2)c(Cl)c1 ZINC000414561211 514179964 /nfs/dbraw/zinc/17/99/64/514179964.db2.gz SBNZLUUSILYRBG-ZBEGNZNMSA-N 1 0 366.801 2.683 20 5 FFBDRO COC[C@@H]1CCC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1 ZINC000452103738 514192570 /nfs/dbraw/zinc/19/25/70/514192570.db2.gz MLZOEDQXRLPNAD-CQSZACIVSA-N 1 0 363.414 2.641 20 5 FFBDRO C[C@]1(F)CNCCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000423692350 514202664 /nfs/dbraw/zinc/20/26/64/514202664.db2.gz QHNJPJQKHQTKKH-AWEZNQCLSA-N 1 0 361.826 2.500 20 5 FFBDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000423747244 514218538 /nfs/dbraw/zinc/21/85/38/514218538.db2.gz QERLGJMEIPHYKG-ZYHUDNBSSA-N 1 0 371.387 2.817 20 5 FFBDRO COc1cc(C[NH2+][C@@H](C(C)C)[C@H](CO)C(C)C)c([N+](=O)[O-])cc1OC ZINC000449515516 514235140 /nfs/dbraw/zinc/23/51/40/514235140.db2.gz ZVFRAPRTQRMDEH-KDOFPFPSSA-N 1 0 354.447 2.991 20 5 FFBDRO C[C@]1(F)C[NH2+]CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000414767404 514282169 /nfs/dbraw/zinc/28/21/69/514282169.db2.gz FZOVRJPVBKNZIK-INIZCTEOSA-N 1 0 350.419 2.852 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N[C@@H](C[NH3+])C(C)(C)C)cc2[N+](=O)[O-])CC1 ZINC000423951645 514303012 /nfs/dbraw/zinc/30/30/12/514303012.db2.gz OYRUIUJTCMVTEJ-KRWDZBQOSA-N 1 0 362.474 2.934 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N[C@@H](C[NH3+])C(C)(C)C)cc2[N+](=O)[O-])C1 ZINC000423954351 514305449 /nfs/dbraw/zinc/30/54/49/514305449.db2.gz RXLBLMQCMFXVLC-DYVFJYSZSA-N 1 0 362.474 2.934 20 5 FFBDRO CC(C)c1ccc(C(=O)NC2CCC(N3CC[NH2+]CC3)CC2)cc1[N+](=O)[O-] ZINC000423956463 514307483 /nfs/dbraw/zinc/30/74/83/514307483.db2.gz UJPMWIHGJYPTKO-UHFFFAOYSA-N 1 0 374.485 2.664 20 5 FFBDRO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000423957976 514307838 /nfs/dbraw/zinc/30/78/38/514307838.db2.gz LYWHGWSXBSMKNV-DLBZAZTESA-N 1 0 372.469 2.799 20 5 FFBDRO [NH3+]CCC[C@@H](NC(=O)CCNc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000423967299 514313024 /nfs/dbraw/zinc/31/30/24/514313024.db2.gz JCJVGHBHXZWMFR-MRXNPFEDSA-N 1 0 356.426 2.993 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000427818028 514323158 /nfs/dbraw/zinc/32/31/58/514323158.db2.gz NVPXYSOCUZXJEF-OAHLLOKOSA-N 1 0 357.410 2.506 20 5 FFBDRO C[C@H]1CCCN(c2ccc(C(=O)N[C@@H]3CC[NH2+]C3(C)C)cc2[N+](=O)[O-])C1 ZINC000449745437 514331942 /nfs/dbraw/zinc/33/19/42/514331942.db2.gz BYAXMRUQPAKQLE-SUMWQHHRSA-N 1 0 360.458 2.701 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCN3CC[NH2+]CC3)o2)c(Cl)c1 ZINC000414867844 514332088 /nfs/dbraw/zinc/33/20/88/514332088.db2.gz OTDCDNZKMGVMSK-UHFFFAOYSA-N 1 0 364.833 2.503 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N3CC[C@H](C)[C@H](C[NH3+])C3)cc2[N+](=O)[O-])CC1 ZINC000424011713 514340137 /nfs/dbraw/zinc/34/01/37/514340137.db2.gz JEUIQMLLKQIUDL-DOTOQJQBSA-N 1 0 374.485 2.888 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000424033210 514350822 /nfs/dbraw/zinc/35/08/22/514350822.db2.gz XKECNQVORFYIIE-DOTOQJQBSA-N 1 0 357.385 2.918 20 5 FFBDRO C[NH+](C)Cc1ccsc1C(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000427975823 514362898 /nfs/dbraw/zinc/36/28/98/514362898.db2.gz SJPSXCSOWYLWLJ-UHFFFAOYSA-N 1 0 361.423 2.753 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC1([NH+](C)C)CCC1 ZINC000438524519 514395312 /nfs/dbraw/zinc/39/53/12/514395312.db2.gz UUNUWXFUSWZOQL-NSHDSACASA-N 1 0 355.822 2.616 20 5 FFBDRO CCN(CCC[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)S(C)(=O)=O ZINC000433138528 514395928 /nfs/dbraw/zinc/39/59/28/514395928.db2.gz SJGUPFCRJSRYMT-MRXNPFEDSA-N 1 0 369.487 2.578 20 5 FFBDRO CCN(CC)S(=O)(=O)CC[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433166552 514404519 /nfs/dbraw/zinc/40/45/19/514404519.db2.gz GGPQLERFXSYCJE-INIZCTEOSA-N 1 0 369.487 2.578 20 5 FFBDRO CC1CC[NH+](C[C@H](O)CN[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000433181190 514407121 /nfs/dbraw/zinc/40/71/21/514407121.db2.gz XGKJKDZNBQVWKG-APWZRJJASA-N 1 0 361.486 3.000 20 5 FFBDRO CN(CC1([NH+](C)C)CCC1)C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000438618049 514416948 /nfs/dbraw/zinc/41/69/48/514416948.db2.gz IKUQREISOOENCJ-UHFFFAOYSA-N 1 0 371.441 2.552 20 5 FFBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000445245441 514451299 /nfs/dbraw/zinc/45/12/99/514451299.db2.gz BBRJAQRZTSLYOT-CQSZACIVSA-N 1 0 369.849 2.643 20 5 FFBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCC[C@H](C[NH3+])C3)cc2[N+](=O)[O-])C1 ZINC000428529333 514490240 /nfs/dbraw/zinc/49/02/40/514490240.db2.gz GTQQACXGEXVSOP-BZUAXINKSA-N 1 0 374.485 2.888 20 5 FFBDRO Cn1cnc([N+](=O)[O-])c1-c1noc(-c2cccc(C[NH+]3CCCC3)c2)n1 ZINC000445571834 514493860 /nfs/dbraw/zinc/49/38/60/514493860.db2.gz OYWVZUGXNRDCRX-UHFFFAOYSA-N 1 0 354.370 2.641 20 5 FFBDRO CC[NH+](CC)CC[C@@H](CO)Nc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000439120054 514496665 /nfs/dbraw/zinc/49/66/65/514496665.db2.gz PSOFKOYSMNTVIT-INIZCTEOSA-N 1 0 358.442 2.583 20 5 FFBDRO O=C(Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1)Nc1ccc([N+](=O)[O-])cc1F ZINC000461112907 514519502 /nfs/dbraw/zinc/51/95/02/514519502.db2.gz NVROVDARCXEFCS-HNNXBMFYSA-N 1 0 374.372 2.945 20 5 FFBDRO COc1c(C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000475027969 514529066 /nfs/dbraw/zinc/52/90/66/514529066.db2.gz JYVRNERXLKMRIW-OAHLLOKOSA-N 1 0 357.410 2.506 20 5 FFBDRO C[C@@H](C(=O)NCCc1ccccc1[N+](=O)[O-])N1CCc2ccccc2C1 ZINC000461255697 514552793 /nfs/dbraw/zinc/55/27/93/514552793.db2.gz DQHDKHNHFCDGME-HNNXBMFYSA-N 1 0 353.422 2.700 20 5 FFBDRO C[NH+](C)CCN(Cc1ccsc1)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000458203058 514624694 /nfs/dbraw/zinc/62/46/94/514624694.db2.gz OQDMHRPDWCFWLW-UHFFFAOYSA-N 1 0 351.403 2.999 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H]1CCCC[C@H]1OC(F)F ZINC000502564687 514696853 /nfs/dbraw/zinc/69/68/53/514696853.db2.gz HQDKZUNIULNWLU-DGCLKSJQSA-N 1 0 357.357 2.982 20 5 FFBDRO COc1ccc(-c2ccc(C[NH2+]C[C@]3(C)CCC(=O)N3)o2)c([N+](=O)[O-])c1 ZINC000453585048 514704166 /nfs/dbraw/zinc/70/41/66/514704166.db2.gz FUBFOEGDRWYOKC-SFHVURJKSA-N 1 0 359.382 2.622 20 5 FFBDRO COc1ccc(-c2ccc(C[N@@H+]3CC[C@@](C)(C(N)=O)C3)o2)c([N+](=O)[O-])c1 ZINC000475664900 514752285 /nfs/dbraw/zinc/75/22/85/514752285.db2.gz AOVAOQGDYLUFCX-GOSISDBHSA-N 1 0 359.382 2.561 20 5 FFBDRO CCC1(CC)[C@H]([NH2+][C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@@H]1OC ZINC000479892749 514763722 /nfs/dbraw/zinc/76/37/22/514763722.db2.gz VFBYXVOEUGXDLD-ZACQAIPSSA-N 1 0 361.442 2.883 20 5 FFBDRO COC(=O)COc1ccc(C[N@@H+](C)C2CCC(OC)CC2)cc1[N+](=O)[O-] ZINC000475694526 514764304 /nfs/dbraw/zinc/76/43/04/514764304.db2.gz GZPOHGJIAUELMC-UHFFFAOYSA-N 1 0 366.414 2.536 20 5 FFBDRO CC(C)[C@@H]1CN(C(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000489315714 514793609 /nfs/dbraw/zinc/79/36/09/514793609.db2.gz REZQVKYPECBJOV-DOMZBBRYSA-N 1 0 369.849 2.814 20 5 FFBDRO Cc1cc(N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461948225 514799993 /nfs/dbraw/zinc/79/99/93/514799993.db2.gz MHGQEEDSDGGBPY-LSDHHAIUSA-N 1 0 359.348 2.831 20 5 FFBDRO COc1c(C(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000475900152 514848150 /nfs/dbraw/zinc/84/81/50/514848150.db2.gz OYVCYQJTCYXUMI-CQSZACIVSA-N 1 0 357.410 2.854 20 5 FFBDRO CC[C@H](NC(=O)NC[C@@]1([NH+](C)C)CCSC1)c1cccc([N+](=O)[O-])c1 ZINC000489503324 514874250 /nfs/dbraw/zinc/87/42/50/514874250.db2.gz XZQZQZHMWYSSIE-RDJZCZTQSA-N 1 0 366.487 2.782 20 5 FFBDRO COc1cc(C[NH2+][C@@H](C)CC(N)=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000498366300 514882974 /nfs/dbraw/zinc/88/29/74/514882974.db2.gz XNZWSYDQEQUNIM-ZDUSSCGKSA-N 1 0 373.409 2.536 20 5 FFBDRO COCC[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C[C@H]1CC=CCC1 ZINC000485112478 514918107 /nfs/dbraw/zinc/91/81/07/514918107.db2.gz HVKVLDGMQLDGEC-INIZCTEOSA-N 1 0 373.453 2.789 20 5 FFBDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)s2)C1 ZINC000471538193 514921461 /nfs/dbraw/zinc/92/14/61/514921461.db2.gz HWHFRQRZUUNYMG-CYBMUJFWSA-N 1 0 355.460 2.538 20 5 FFBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[C@H]1C ZINC000498568314 514975395 /nfs/dbraw/zinc/97/53/95/514975395.db2.gz AXRLZSSZVMWODX-MNOVXSKESA-N 1 0 370.247 2.912 20 5 FFBDRO CC(C)[NH+](CCN(C)c1sc(S(C)(=O)=O)cc1[N+](=O)[O-])C(C)C ZINC000503272616 514985805 /nfs/dbraw/zinc/98/58/05/514985805.db2.gz APTBUPQNWYHSGK-UHFFFAOYSA-N 1 0 363.505 2.615 20 5 FFBDRO C[NH+](C)CCCC(C)(C)NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000456160232 514990113 /nfs/dbraw/zinc/99/01/13/514990113.db2.gz BJKCIUQJGHTBSG-UHFFFAOYSA-N 1 0 360.414 2.699 20 5 FFBDRO C[NH+](C)CCCC(C)(C)NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000456160254 514990636 /nfs/dbraw/zinc/99/06/36/514990636.db2.gz BKKCJNBTGKVPBJ-UHFFFAOYSA-N 1 0 374.441 2.758 20 5 FFBDRO O=[N+]([O-])c1ccc(NCCCC[NH+]2CCOCC2)nc1-c1ccc(F)cc1 ZINC000485406119 515026636 /nfs/dbraw/zinc/02/66/36/515026636.db2.gz NNGFHXYNOLWYRK-UHFFFAOYSA-N 1 0 374.416 2.742 20 5 FFBDRO CC(C)CC[N@@H+]1Cc2cccc(NC(=O)c3cc([N+](=O)[O-])nn3C)c2C1 ZINC000476382270 515027643 /nfs/dbraw/zinc/02/76/43/515027643.db2.gz VXXXPRNRQDURSO-UHFFFAOYSA-N 1 0 357.414 2.942 20 5 FFBDRO C[NH+](C)CCO[C@H]1CCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)C1 ZINC000485415888 515032471 /nfs/dbraw/zinc/03/24/71/515032471.db2.gz MZQPVWGLIJOMBW-INIZCTEOSA-N 1 0 374.416 2.953 20 5 FFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](CO)Cc1ccccc1 ZINC000480671690 515039044 /nfs/dbraw/zinc/03/90/44/515039044.db2.gz NTDYSVQEOVGZOF-RHSMWYFYSA-N 1 0 357.410 2.505 20 5 FFBDRO CCOC(=O)[C@@]1(COC)CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000467550443 515044711 /nfs/dbraw/zinc/04/47/11/515044711.db2.gz KKANYAXBAPSRSZ-AIADIJKESA-N 1 0 362.426 2.900 20 5 FFBDRO Cc1ccc(C)c(S(=O)(=O)NCC2(C[NH+](C)C)CCCC2)c1[N+](=O)[O-] ZINC000480704134 515051639 /nfs/dbraw/zinc/05/16/39/515051639.db2.gz CPYNBASKSGHDND-UHFFFAOYSA-N 1 0 369.487 2.612 20 5 FFBDRO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1)C1CC1 ZINC000462483551 515076848 /nfs/dbraw/zinc/07/68/48/515076848.db2.gz FQJXXJHDTYQZHP-KRWDZBQOSA-N 1 0 356.426 2.743 20 5 FFBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000467810750 515131389 /nfs/dbraw/zinc/13/13/89/515131389.db2.gz GPHAXUGSZKJVRF-RISCZKNCSA-N 1 0 367.833 2.616 20 5 FFBDRO C[NH+](C)[C@H](CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)c1ccsc1 ZINC000485760383 515175112 /nfs/dbraw/zinc/17/51/12/515175112.db2.gz WSOWNVWEKITLMR-OAHLLOKOSA-N 1 0 369.393 2.896 20 5 FFBDRO Cn1c(C(=O)NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000490512225 515234835 /nfs/dbraw/zinc/23/48/35/515234835.db2.gz CBJGNCRPOXSVNJ-IBGZPJMESA-N 1 0 356.426 2.718 20 5 FFBDRO CC[C@@H](C)[NH+]1CCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)CC1 ZINC000456524588 515236282 /nfs/dbraw/zinc/23/62/82/515236282.db2.gz PTKXEAXBJLDEHH-CYBMUJFWSA-N 1 0 357.414 2.541 20 5 FFBDRO Cn1nc2c(c1C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)CCCC2 ZINC000462807085 515254011 /nfs/dbraw/zinc/25/40/11/515254011.db2.gz LNEZNXCIFUHOFK-CVEARBPZSA-N 1 0 358.446 2.677 20 5 FFBDRO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCC([NH+]2CCCC2)CC1 ZINC000486099273 515332534 /nfs/dbraw/zinc/33/25/34/515332534.db2.gz UFJKQCOEUYZHRY-UHFFFAOYSA-N 1 0 353.369 2.502 20 5 FFBDRO C[C@@H]1CCC[C@](CNC(=O)CN(C)c2ccccc2[N+](=O)[O-])([NH+](C)C)C1 ZINC000463194396 515390299 /nfs/dbraw/zinc/39/02/99/515390299.db2.gz YYLSMKPBRAIMAH-BEFAXECRSA-N 1 0 362.474 2.658 20 5 FFBDRO C[C@H]1CCC[C@@](CNC(=O)CN(C)c2ccccc2[N+](=O)[O-])([NH+](C)C)C1 ZINC000463194398 515390740 /nfs/dbraw/zinc/39/07/40/515390740.db2.gz YYLSMKPBRAIMAH-HNAYVOBHSA-N 1 0 362.474 2.658 20 5 FFBDRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000491256632 515403580 /nfs/dbraw/zinc/40/35/80/515403580.db2.gz UXOZXQSWEVSFSA-OAHLLOKOSA-N 1 0 366.421 2.979 20 5 FFBDRO C[NH+](C)CCCC1CCN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000499688531 515413543 /nfs/dbraw/zinc/41/35/43/515413543.db2.gz WFZQWTFGVGFRNJ-UHFFFAOYSA-N 1 0 369.487 2.557 20 5 FFBDRO Cc1cc(C)c(S(=O)(=O)NCCC[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000491587064 515456609 /nfs/dbraw/zinc/45/66/09/515456609.db2.gz ULYNRQBOLSOWBZ-UHFFFAOYSA-N 1 0 369.487 2.612 20 5 FFBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000468695377 515474939 /nfs/dbraw/zinc/47/49/39/515474939.db2.gz SFIGHURGNOPWPS-UKRRQHHQSA-N 1 0 354.410 2.742 20 5 FFBDRO C[C@H]([NH2+]C1(CNC(=O)c2cc([N+](=O)[O-])nn2C)CCCC1)c1ccccc1 ZINC000481897791 515506007 /nfs/dbraw/zinc/50/60/07/515506007.db2.gz VRLDBOQPFCBUFF-AWEZNQCLSA-N 1 0 371.441 2.722 20 5 FFBDRO CN1CC[N@H+](C)C[C@H]1CN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000492178020 515510402 /nfs/dbraw/zinc/51/04/02/515510402.db2.gz JFGXHTIJMDDQAM-UXHICEINSA-N 1 0 354.454 2.520 20 5 FFBDRO C[C@@H](O)C[NH+]1CCC(CN(C)Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000492332863 515527039 /nfs/dbraw/zinc/52/70/39/515527039.db2.gz IMJYFXCZGBOOBY-CYBMUJFWSA-N 1 0 355.866 2.773 20 5 FFBDRO Cc1ccc([C@@H](CNC(=O)CN(C)c2ccccc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000463518631 515533250 /nfs/dbraw/zinc/53/32/50/515533250.db2.gz WVXHYFWALSJJKK-LJQANCHMSA-N 1 0 370.453 2.759 20 5 FFBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C ZINC000468833775 515542745 /nfs/dbraw/zinc/54/27/45/515542745.db2.gz DWQGODBFPHGSKB-HNNXBMFYSA-N 1 0 373.413 2.514 20 5 FFBDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000473285766 515562958 /nfs/dbraw/zinc/56/29/58/515562958.db2.gz YKDZQYRNDJYHKS-ZIAGYGMSSA-N 1 0 356.426 2.809 20 5 FFBDRO COC(=O)c1cnc(NC[C@H]2CCCC[N@@H+]2CC(C)C)c([N+](=O)[O-])c1 ZINC000477719871 515566824 /nfs/dbraw/zinc/56/68/24/515566824.db2.gz PCOSPXWEMAQTDB-CQSZACIVSA-N 1 0 350.419 2.699 20 5 FFBDRO C[NH+](C)[C@H]1CCC[C@@H]1Nc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000477839501 515611952 /nfs/dbraw/zinc/61/19/52/515611952.db2.gz DQPSIRGWELNWSD-HOTGVXAUSA-N 1 0 356.426 2.885 20 5 FFBDRO Cc1cc(C)c(S(=O)(=O)N(C)C2CC[NH+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000493655855 515654534 /nfs/dbraw/zinc/65/45/34/515654534.db2.gz KPAXYUQAJIUJBL-UHFFFAOYSA-N 1 0 369.487 2.705 20 5 FFBDRO COc1cc(CN[C@H]2CC[N@H+](C)[C@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000493707247 515659059 /nfs/dbraw/zinc/65/90/59/515659059.db2.gz OACIBGFAHWKVOP-YPMHNXCESA-N 1 0 373.400 2.820 20 5 FFBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000457116060 515661733 /nfs/dbraw/zinc/66/17/33/515661733.db2.gz LERVPYZZXYSYLH-TZMCWYRMSA-N 1 0 369.849 2.957 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)CC[NH+](C(C)C)C(C)C ZINC000505840763 515692625 /nfs/dbraw/zinc/69/26/25/515692625.db2.gz RABDEXCVLGKFHT-UHFFFAOYSA-N 1 0 366.462 2.593 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C1CCN(Cc2cccnc2)CC1 ZINC000482513514 515703730 /nfs/dbraw/zinc/70/37/30/515703730.db2.gz SYXAZOROBHAVKQ-UHFFFAOYSA-N 1 0 356.426 2.753 20 5 FFBDRO Cc1ccc(C)c(S(=O)(=O)NCCC[N@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000478169056 515723015 /nfs/dbraw/zinc/72/30/15/515723015.db2.gz KZVMPHQGAJWGMJ-OAHLLOKOSA-N 1 0 369.487 2.754 20 5 FFBDRO Cc1c(Br)cc(C(=O)NC(C)(C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000457213121 515729379 /nfs/dbraw/zinc/72/93/79/515729379.db2.gz UUVQNEHKCKZXNM-UHFFFAOYSA-N 1 0 358.236 2.736 20 5 FFBDRO C[C@@H]1[C@H](NC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CCC[N@@H+]1C ZINC000454785928 515743025 /nfs/dbraw/zinc/74/30/25/515743025.db2.gz NDKQJPWBFVVXRU-QGPMSJSTSA-N 1 0 360.458 2.967 20 5 FFBDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000473761925 515744103 /nfs/dbraw/zinc/74/41/03/515744103.db2.gz DRZNLOKREROAMB-INIZCTEOSA-N 1 0 364.446 2.868 20 5 FFBDRO COc1cccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2C)[NH+](C)C)c1 ZINC000511092299 515777660 /nfs/dbraw/zinc/77/76/60/515777660.db2.gz PUQFDERRXYHFJT-SFHVURJKSA-N 1 0 357.410 2.945 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCC[C@](O)(CO)C3)o2)c(Cl)c1 ZINC000459742290 515782192 /nfs/dbraw/zinc/78/21/92/515782192.db2.gz YVCKYXHYHQPGQK-QGZVFWFLSA-N 1 0 366.801 2.827 20 5 FFBDRO Cc1cccc2nc(C[N@H+](C)CCc3ccccc3[N+](=O)[O-])cc(=O)n12 ZINC000511136434 515800643 /nfs/dbraw/zinc/80/06/43/515800643.db2.gz AEHKRSKBXALCOQ-UHFFFAOYSA-N 1 0 352.394 2.586 20 5 FFBDRO CCC(CC)[C@H](CNS(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)[NH+](C)C ZINC000473946869 515813897 /nfs/dbraw/zinc/81/38/97/515813897.db2.gz UUUBAJWCIFZXRZ-ZDUSSCGKSA-N 1 0 363.505 2.609 20 5 FFBDRO C[C@@H]1[C@H]([NH3+])CCCN1C(=O)c1cccc2c1[nH]c1c(F)cccc1c2=O ZINC000457359311 515826915 /nfs/dbraw/zinc/82/69/15/515826915.db2.gz FXZZJHPJYSMYEA-BDJLRTHQSA-N 1 0 353.397 2.772 20 5 FFBDRO CCOc1cc(N2CC[NH+](CCc3cccnc3)CC2)ccc1[N+](=O)[O-] ZINC000482893112 515838737 /nfs/dbraw/zinc/83/87/37/515838737.db2.gz VVEKUQUANJZBPR-UHFFFAOYSA-N 1 0 356.426 2.753 20 5 FFBDRO O=C(CC[C@H]1CCC[NH2+]1)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000494515345 515869070 /nfs/dbraw/zinc/86/90/70/515869070.db2.gz PXLOSWITONACMS-GFCCVEGCSA-N 1 0 374.363 2.674 20 5 FFBDRO CC(C)CN(C(=O)Cc1ccc([N+](=O)[O-])cc1F)C1CC[NH+](C)CC1 ZINC000464574796 515878909 /nfs/dbraw/zinc/87/89/09/515878909.db2.gz ABQQAEHYLDVMNJ-UHFFFAOYSA-N 1 0 351.422 2.855 20 5 FFBDRO COc1cc(C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000478718133 515940600 /nfs/dbraw/zinc/94/06/00/515940600.db2.gz AWFLGCMRDCYZSJ-CHWSQXEVSA-N 1 0 365.430 2.605 20 5 FFBDRO CC(C)COCC[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000501028355 515943333 /nfs/dbraw/zinc/94/33/33/515943333.db2.gz IUFJJTZILRHUPT-UHFFFAOYSA-N 1 0 361.446 2.656 20 5 FFBDRO COc1c(C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000474383520 516022529 /nfs/dbraw/zinc/02/25/29/516022529.db2.gz CRXYRPMIRGHFHI-MRXNPFEDSA-N 1 0 361.373 2.775 20 5 FFBDRO CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC000460215057 516070174 /nfs/dbraw/zinc/07/01/74/516070174.db2.gz PXTNQDGXPKFQNH-KGLIPLIRSA-N 1 0 358.446 2.792 20 5 FFBDRO CCn1ccnc1CNC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000455296613 516101780 /nfs/dbraw/zinc/10/17/80/516101780.db2.gz RFVBXCXBMUGPND-HNNXBMFYSA-N 1 0 357.414 2.900 20 5 FFBDRO C[NH+](C)CCN(Cc1ccco1)c1ncc([N+](=O)[O-])cc1Br ZINC000470080859 516109999 /nfs/dbraw/zinc/10/99/99/516109999.db2.gz KGTIOXFOSULKCP-UHFFFAOYSA-N 1 0 369.219 2.914 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000501490217 516121415 /nfs/dbraw/zinc/12/14/15/516121415.db2.gz JODBIPFOZHJHBQ-QWHCGFSZSA-N 1 0 350.419 2.845 20 5 FFBDRO CC[NH+](CC)CCN(CCOC)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470145973 516143090 /nfs/dbraw/zinc/14/30/90/516143090.db2.gz CDIYKMSXBCUOLO-UHFFFAOYSA-N 1 0 356.398 2.556 20 5 FFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC000470203752 516171886 /nfs/dbraw/zinc/17/18/86/516171886.db2.gz FBKSNTAYBSCNBY-GMMCIKNFSA-N 1 0 371.359 2.999 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)C[C@H]1C ZINC000483701149 516177827 /nfs/dbraw/zinc/17/78/27/516177827.db2.gz LVYKUQAMVXBMSM-UKRRQHHQSA-N 1 0 364.446 2.618 20 5 FFBDRO C[C@H]1CSC[C@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000512204770 516196892 /nfs/dbraw/zinc/19/68/92/516196892.db2.gz VPBSWEDTMZJGQL-QPUJVOFHSA-N 1 0 374.260 2.637 20 5 FFBDRO C[NH+](C)CCOc1cccc(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)c1 ZINC000488491759 516239431 /nfs/dbraw/zinc/23/94/31/516239431.db2.gz REMVSOXGHAFVFZ-UHFFFAOYSA-N 1 0 373.365 2.516 20 5 FFBDRO CCCC[C@H]([NH3+])C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000496221921 516246346 /nfs/dbraw/zinc/24/63/46/516246346.db2.gz LDAPKNSYFWSUCL-NSHDSACASA-N 1 0 362.352 2.659 20 5 FFBDRO O=C(Nc1cccc(C[NH+]2CCC(O)CC2)c1)c1ccc([N+](=O)[O-])cc1F ZINC000488660582 516283803 /nfs/dbraw/zinc/28/38/03/516283803.db2.gz PFXMDJPDNAPHJM-UHFFFAOYSA-N 1 0 373.384 2.943 20 5 FFBDRO COC(=O)c1cc(N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)cc(C)c1[N+](=O)[O-] ZINC000488748784 516300348 /nfs/dbraw/zinc/30/03/48/516300348.db2.gz HORQCXVJBQHLFO-IIYDPXPESA-N 1 0 361.442 2.856 20 5 FFBDRO C[C@H]1CN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC[N@@H+](C2CCC2)C1 ZINC000488760717 516302852 /nfs/dbraw/zinc/30/28/52/516302852.db2.gz FGXOLRRXJCPCPH-CYBMUJFWSA-N 1 0 357.414 2.955 20 5 FFBDRO C[C@@H]([NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C1(S(C)(=O)=O)CC1 ZINC000512893356 516403173 /nfs/dbraw/zinc/40/31/73/516403173.db2.gz CAMIURZTMKNENH-GFCCVEGCSA-N 1 0 364.423 2.910 20 5 FFBDRO C[N@@H+]1CCN(c2ncnc3sc([N+](=O)[O-])cc32)C[C@H]1Cc1ccccc1 ZINC000557741359 516414186 /nfs/dbraw/zinc/41/41/86/516414186.db2.gz DLRZQEBZCBRDFN-CQSZACIVSA-N 1 0 369.450 2.963 20 5 FFBDRO C[C@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000540168290 516462016 /nfs/dbraw/zinc/46/20/16/516462016.db2.gz HWRNOWAEFQFYFW-OXJNMPFZSA-N 1 0 370.453 2.869 20 5 FFBDRO CCc1nnc(NC(=O)[C@@H](C)[C@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])s1 ZINC000513087459 516468176 /nfs/dbraw/zinc/46/81/76/516468176.db2.gz AIROSEHPAWLNRV-QWRGUYRKSA-N 1 0 363.443 2.762 20 5 FFBDRO C[C@@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccc2n[nH]cc2c1 ZINC000513216247 516528580 /nfs/dbraw/zinc/52/85/80/516528580.db2.gz ZCEMXIYMHZAYFT-GFCCVEGCSA-N 1 0 365.393 2.711 20 5 FFBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000558025809 516556744 /nfs/dbraw/zinc/55/67/44/516556744.db2.gz PJABPCLXYPXXEH-ZMSDIMECSA-N 1 0 361.442 2.552 20 5 FFBDRO C[NH+](C)C[C@@H](NC(=O)COc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000554641495 516562731 /nfs/dbraw/zinc/56/27/31/516562731.db2.gz XRNTVGJJAOLAEX-OAHLLOKOSA-N 1 0 361.373 2.532 20 5 FFBDRO CN1CCN([C@@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)c2cccs2)CC1 ZINC000518249340 516588631 /nfs/dbraw/zinc/58/86/31/516588631.db2.gz BRKRNPUGNBSBIH-KRWDZBQOSA-N 1 0 360.483 2.735 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000531695103 516599309 /nfs/dbraw/zinc/59/93/09/516599309.db2.gz BDVYUQFWSGMKMT-UKRRQHHQSA-N 1 0 374.393 2.722 20 5 FFBDRO C[C@]1(c2ccccc2)CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000544144005 516611666 /nfs/dbraw/zinc/61/16/66/516611666.db2.gz MEFUQULTKIVYCV-PXNSSMCTSA-N 1 0 356.422 2.998 20 5 FFBDRO C[N@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C1CCN(CCO)CC1 ZINC000513524689 516659400 /nfs/dbraw/zinc/65/94/00/516659400.db2.gz JZTAVWPUQLHKOS-UHFFFAOYSA-N 1 0 359.426 2.743 20 5 FFBDRO COc1ccc(C[N@H+](C)[C@H](C)CO)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000554883903 516679910 /nfs/dbraw/zinc/67/99/10/516679910.db2.gz PTPPGJKAKMLMCL-CQSZACIVSA-N 1 0 360.410 2.995 20 5 FFBDRO CN(c1ccccc1)c1ccc(C[NH2+]C[C@H]2COCCO2)cc1[N+](=O)[O-] ZINC000513614430 516690103 /nfs/dbraw/zinc/69/01/03/516690103.db2.gz ZRVACAISYNDLFE-KRWDZBQOSA-N 1 0 357.410 2.868 20 5 FFBDRO C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000513677676 516714790 /nfs/dbraw/zinc/71/47/90/516714790.db2.gz AJWAIMKGXAVCAT-CYBMUJFWSA-N 1 0 353.378 2.759 20 5 FFBDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000518596615 516716576 /nfs/dbraw/zinc/71/65/76/516716576.db2.gz GRNLUWOADMWEGW-HUUCEWRRSA-N 1 0 371.441 2.773 20 5 FFBDRO CN(CCC[NH+]1CCCC1)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000544354787 516720791 /nfs/dbraw/zinc/72/07/91/516720791.db2.gz PSQUDKWZWZJCTB-UHFFFAOYSA-N 1 0 368.865 2.918 20 5 FFBDRO Cc1c(Br)c(N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)ncc1[N+](=O)[O-] ZINC000544395002 516740247 /nfs/dbraw/zinc/74/02/47/516740247.db2.gz SXENLPYTDSYSAG-RYUDHWBXSA-N 1 0 369.263 2.981 20 5 FFBDRO Cc1c(Br)c(N2CCC([NH2+]C3CC3)CC2)ncc1[N+](=O)[O-] ZINC000544395847 516742324 /nfs/dbraw/zinc/74/23/24/516742324.db2.gz WCPJGUOMUWZCNT-UHFFFAOYSA-N 1 0 355.236 2.782 20 5 FFBDRO O=C(c1ccc(C[NH+]2CCCC2)cc1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000555010286 516742653 /nfs/dbraw/zinc/74/26/53/516742653.db2.gz FFKKBLOBSNPECV-UHFFFAOYSA-N 1 0 366.421 2.784 20 5 FFBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C[C@@H](C)C1 ZINC000561762680 516755975 /nfs/dbraw/zinc/75/59/75/516755975.db2.gz PTYKIIXRYKWZSH-AHIWAGSCSA-N 1 0 356.426 2.878 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CN1CCC(CC[NH+]2CCOCC2)CC1 ZINC000513820995 516768844 /nfs/dbraw/zinc/76/88/44/516768844.db2.gz ZYAQVZWZQIILKN-UHFFFAOYSA-N 1 0 363.458 2.538 20 5 FFBDRO CCCc1n[nH]c(C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000518865522 516800378 /nfs/dbraw/zinc/80/03/78/516800378.db2.gz LLCQIKFWIQYTEA-CYBMUJFWSA-N 1 0 351.451 2.512 20 5 FFBDRO COc1ccc(-c2ccc(C[NH2+][C@H]3CCC[C@@H](C(N)=O)C3)o2)c([N+](=O)[O-])c1 ZINC000532209710 516859329 /nfs/dbraw/zinc/85/93/29/516859329.db2.gz QVIQTZXQXZFUFV-OLZOCXBDSA-N 1 0 373.409 2.997 20 5 FFBDRO Cn1ccnc1[C@H](N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000514098399 516862060 /nfs/dbraw/zinc/86/20/60/516862060.db2.gz GOWHRWNYJABYSY-XYJFISCASA-N 1 0 355.442 2.634 20 5 FFBDRO C[C@H](C(=O)NCCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000519062488 516871787 /nfs/dbraw/zinc/87/17/87/516871787.db2.gz YXEGNPXYDUZUNO-OAGGEKHMSA-N 1 0 363.458 2.704 20 5 FFBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000548294590 516878944 /nfs/dbraw/zinc/87/89/44/516878944.db2.gz OANDUJOLUDOXCH-IBGZPJMESA-N 1 0 356.426 2.718 20 5 FFBDRO C[C@@]1(CNC(=O)c2ccc([N+](=O)[O-])cn2)CCC[N@@H+]1Cc1ccccc1 ZINC000548294179 516879869 /nfs/dbraw/zinc/87/98/69/516879869.db2.gz HXUAHERVSQVGCJ-IBGZPJMESA-N 1 0 354.410 2.774 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000525105567 516917943 /nfs/dbraw/zinc/91/79/43/516917943.db2.gz IYQRQKQRTFHKTD-GVXVVHGQSA-N 1 0 355.822 2.614 20 5 FFBDRO COc1ccc(-c2ccc(C[NH2+]CCNc3cnccn3)o2)c([N+](=O)[O-])c1 ZINC000532373403 516939943 /nfs/dbraw/zinc/93/99/43/516939943.db2.gz DUJSVPCAWJSONK-UHFFFAOYSA-N 1 0 369.381 2.855 20 5 FFBDRO COCCCN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000562250831 516985985 /nfs/dbraw/zinc/98/59/85/516985985.db2.gz VRUPIWRJKSVSFK-UHFFFAOYSA-N 1 0 369.849 2.821 20 5 FFBDRO CC(C)(C)OC1CC[NH+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000541350439 517006167 /nfs/dbraw/zinc/00/61/67/517006167.db2.gz ZRDZXTCEQSDANI-AWEZNQCLSA-N 1 0 352.431 2.614 20 5 FFBDRO CC(C)CC[C@H]([NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000558934495 517008590 /nfs/dbraw/zinc/00/85/90/517008590.db2.gz MJUNKIJFQNGAKG-KRWDZBQOSA-N 1 0 369.487 2.678 20 5 FFBDRO CC[N@@H+]1CCCC[C@H]1CN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000552044175 517046581 /nfs/dbraw/zinc/04/65/81/517046581.db2.gz SYQQNTPYUKSWAT-ROUUACIJSA-N 1 0 357.458 2.882 20 5 FFBDRO [NH3+]CCN(Cc1cnn(Cc2ccccc2)c1)c1ccccc1[N+](=O)[O-] ZINC000514818988 517072017 /nfs/dbraw/zinc/07/20/17/517072017.db2.gz YZOJLJJIAHJHGH-UHFFFAOYSA-N 1 0 351.410 2.805 20 5 FFBDRO CC[N@H+](CCNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])CCC(F)(F)F ZINC000559077602 517073127 /nfs/dbraw/zinc/07/31/27/517073127.db2.gz XGAJJKZCDBKVNO-UHFFFAOYSA-N 1 0 373.335 2.930 20 5 FFBDRO CC[C@@H]([NH3+])CNC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000519605902 517074799 /nfs/dbraw/zinc/07/47/99/517074799.db2.gz XRCAIEAFBXIWMS-MRVPVSSYSA-N 1 0 372.212 2.554 20 5 FFBDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)C2(S(C)(=O)=O)CC2)cc1[N+](=O)[O-] ZINC000552097190 517075593 /nfs/dbraw/zinc/07/55/93/517075593.db2.gz VXKXZXFJVBJUSY-NWDGAFQWSA-N 1 0 356.444 2.610 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H](N1CCOCC1)C(F)(F)F ZINC000552096761 517076381 /nfs/dbraw/zinc/07/63/81/517076381.db2.gz KAQPJCKCRJDMOU-WFASDCNBSA-N 1 0 361.364 2.817 20 5 FFBDRO COc1ccc(CNC(=O)NCC[C@H](C)[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000541514223 517086928 /nfs/dbraw/zinc/08/69/28/517086928.db2.gz ZOKOOJPHMBHATE-AWEZNQCLSA-N 1 0 364.446 2.667 20 5 FFBDRO CCCN(CC[NH+]1CCCCCC1)C(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000514888643 517109255 /nfs/dbraw/zinc/10/92/55/517109255.db2.gz VLOOEIWDOMPHFC-UHFFFAOYSA-N 1 0 365.478 2.604 20 5 FFBDRO CS[C@H]1CN(c2nc3c(cc2[N+](=O)[O-])CCCC3)C[C@H]1[NH+]1CCCC1 ZINC000519712412 517142710 /nfs/dbraw/zinc/14/27/10/517142710.db2.gz XXXWSIZSLDWJGQ-SJORKVTESA-N 1 0 362.499 2.885 20 5 FFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H](c1nccn1C)C1CC1 ZINC000552322494 517197229 /nfs/dbraw/zinc/19/72/29/517197229.db2.gz PGKYTJRNSYJGBR-SJCJKPOMSA-N 1 0 357.414 2.786 20 5 FFBDRO COC[C@@](C)(CC(=O)OC)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000541760814 517201915 /nfs/dbraw/zinc/20/19/15/517201915.db2.gz SMDLENYDCAJZFV-GOSISDBHSA-N 1 0 362.382 2.913 20 5 FFBDRO COc1ccc(OCC[N@@H+]2CCC[C@H]2C2CCOCC2)c([N+](=O)[O-])c1 ZINC000537525023 517219591 /nfs/dbraw/zinc/21/95/91/517219591.db2.gz OJIMUHXLXYLZTK-INIZCTEOSA-N 1 0 350.415 2.873 20 5 FFBDRO CCn1ccnc1[C@H](C)NC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000562609845 517234126 /nfs/dbraw/zinc/23/41/26/517234126.db2.gz SEYXUVCPPGMMHW-LBPRGKRZSA-N 1 0 370.413 2.895 20 5 FFBDRO Cc1c(NC(=O)CC[NH2+][C@H](CO)c2cccc(F)c2)cccc1[N+](=O)[O-] ZINC000541951845 517307983 /nfs/dbraw/zinc/30/79/83/517307983.db2.gz LUHCIACBAIQEQQ-MRXNPFEDSA-N 1 0 361.373 2.694 20 5 FFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC[C@H]1C(=O)NC ZINC000552578203 517312612 /nfs/dbraw/zinc/31/26/12/517312612.db2.gz XIHFKZAYGHMDQF-MGPQQGTHSA-N 1 0 351.472 2.970 20 5 FFBDRO COc1ccc(NC(=O)NCC[N@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000542032540 517348472 /nfs/dbraw/zinc/34/84/72/517348472.db2.gz OTVIMJUFKHGSQE-UHFFFAOYSA-N 1 0 358.398 2.857 20 5 FFBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000520421742 517386933 /nfs/dbraw/zinc/38/69/33/517386933.db2.gz AXRUUGOBIWWYFS-UXLLHSPISA-N 1 0 361.442 2.837 20 5 FFBDRO CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC[NH+](CC(C)C)CC1 ZINC000549085927 517391178 /nfs/dbraw/zinc/39/11/78/517391178.db2.gz CQWGEOZNTNHNCC-UHFFFAOYSA-N 1 0 358.446 2.651 20 5 FFBDRO CCC[N@@H+]1CC[C@@H](CN[C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C1 ZINC000562854492 517458812 /nfs/dbraw/zinc/45/88/12/517458812.db2.gz XMJQGQQZBUFSPJ-YJBOKZPZSA-N 1 0 357.458 2.739 20 5 FFBDRO CCC[N@@H+]1CC[C@H](CN[C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C1 ZINC000562854489 517459311 /nfs/dbraw/zinc/45/93/11/517459311.db2.gz XMJQGQQZBUFSPJ-CRAIPNDOSA-N 1 0 357.458 2.739 20 5 FFBDRO C[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1c(F)cccc1F ZINC000538127569 517474252 /nfs/dbraw/zinc/47/42/52/517474252.db2.gz NWFUBVJVUANKPX-WCQYABFASA-N 1 0 352.337 2.964 20 5 FFBDRO CCOC(=O)[C@]1(C(C)C)CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000559988718 517519230 /nfs/dbraw/zinc/51/92/30/517519230.db2.gz FQUKQWFYYDZDDJ-GOSISDBHSA-N 1 0 350.415 2.885 20 5 FFBDRO CN(C)C1(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000538316861 517561328 /nfs/dbraw/zinc/56/13/28/517561328.db2.gz ALYHSLPXVZGSQX-UHFFFAOYSA-N 1 0 357.458 2.959 20 5 FFBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000553210997 517579104 /nfs/dbraw/zinc/57/91/04/517579104.db2.gz ZXPBVQOUZNYKQY-GOSISDBHSA-N 1 0 353.422 2.776 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH+]2CCC(CC(F)(F)F)CC2)c1 ZINC000560169466 517618690 /nfs/dbraw/zinc/61/86/90/517618690.db2.gz ZXOKSBZELHUWTP-AWEZNQCLSA-N 1 0 362.348 2.999 20 5 FFBDRO C[C@H](CNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)[N@H+](C)Cc1ccccc1 ZINC000553390399 517686710 /nfs/dbraw/zinc/68/67/10/517686710.db2.gz YSMFAGNJTAJWDD-CYBMUJFWSA-N 1 0 367.409 2.598 20 5 FFBDRO O=C(CNc1ccccc1[N+](=O)[O-])N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000521533066 517766669 /nfs/dbraw/zinc/76/66/69/517766669.db2.gz JLFFRFHPLOIHLG-GOSISDBHSA-N 1 0 368.437 2.960 20 5 FFBDRO CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC000556974258 517782558 /nfs/dbraw/zinc/78/25/58/517782558.db2.gz AMGLULLUHQAJTB-UHFFFAOYSA-N 1 0 358.446 2.840 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H]2CCC[N@@H+]2C2CCCCC2)n1 ZINC000553562095 517784499 /nfs/dbraw/zinc/78/44/99/517784499.db2.gz SBZMEBPUVWCDHA-CQSZACIVSA-N 1 0 362.430 2.985 20 5 FFBDRO CC1CC[NH+](CCNC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CC1 ZINC000542872416 517791726 /nfs/dbraw/zinc/79/17/26/517791726.db2.gz UXBSLVNQJRGXCP-UHFFFAOYSA-N 1 0 357.357 2.658 20 5 FFBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000516826133 517859045 /nfs/dbraw/zinc/85/90/45/517859045.db2.gz OROYAWHIIAEYGA-ACJLOTCBSA-N 1 0 373.457 2.600 20 5 FFBDRO C[C@H](C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])Oc1cccc(F)c1 ZINC000521862582 517878526 /nfs/dbraw/zinc/87/85/26/517878526.db2.gz FRFRDNZXNNWNBN-UKRRQHHQSA-N 1 0 364.373 2.531 20 5 FFBDRO CCCc1n[nH]c(C(=O)N[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)c1[N+](=O)[O-] ZINC000521907692 517895608 /nfs/dbraw/zinc/89/56/08/517895608.db2.gz LJDGYDGQGLYNHH-HIFRSBDPSA-N 1 0 371.441 2.836 20 5 FFBDRO CO[C@@H](C)[C@@H](C)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000517000057 517967333 /nfs/dbraw/zinc/96/73/33/517967333.db2.gz MOEIYLGYBQNYHS-BDAKNGLRSA-N 1 0 364.183 2.712 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1C[C@H](OCC)[C@H]1n1cccn1 ZINC000550325288 517995742 /nfs/dbraw/zinc/99/57/42/517995742.db2.gz RYDJYKGWHAVLEG-NJAFHUGGSA-N 1 0 360.414 2.698 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H](C(C)C)[NH+]2CCC(C)CC2)n1 ZINC000557495331 518038033 /nfs/dbraw/zinc/03/80/33/518038033.db2.gz ZFFFISSVTULVRR-MRXNPFEDSA-N 1 0 364.446 2.945 20 5 FFBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000531067611 518123774 /nfs/dbraw/zinc/12/37/74/518123774.db2.gz CDQPUZZWYCBNIR-HNNXBMFYSA-N 1 0 350.806 2.619 20 5 FFBDRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000517369638 518130435 /nfs/dbraw/zinc/13/04/35/518130435.db2.gz CJBZZCAUHFPZIY-ZAQWFSBCSA-N 1 0 372.450 2.964 20 5 FFBDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000517411321 518142161 /nfs/dbraw/zinc/14/21/61/518142161.db2.gz ZXCLYMFWDQWRAX-HUUCEWRRSA-N 1 0 363.462 2.569 20 5 FFBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000543580855 518143330 /nfs/dbraw/zinc/14/33/30/518143330.db2.gz GPAPMKHRGNQXJE-NSHDSACASA-N 1 0 370.247 2.819 20 5 FFBDRO CC(C)(C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1cccs1 ZINC000578499266 518239875 /nfs/dbraw/zinc/23/98/75/518239875.db2.gz FTCVTWPDXJVFKX-CYBMUJFWSA-N 1 0 350.440 2.963 20 5 FFBDRO Cc1cccc(O[C@@H](C)C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000569687585 518240726 /nfs/dbraw/zinc/24/07/26/518240726.db2.gz XYDGLHTXEFVQTM-JKSUJKDBSA-N 1 0 360.410 2.700 20 5 FFBDRO CCc1ccc(S(=O)(=O)N(C)C(C)(C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000578502391 518241843 /nfs/dbraw/zinc/24/18/43/518241843.db2.gz OKPQQIVHOJKROK-UHFFFAOYSA-N 1 0 369.487 2.652 20 5 FFBDRO CCOC(=O)c1ccnc(N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000581455829 518292463 /nfs/dbraw/zinc/29/24/63/518292463.db2.gz BJNYQAMCCALFRC-HZSPNIEDSA-N 1 0 364.446 2.945 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC000569790592 518292496 /nfs/dbraw/zinc/29/24/96/518292496.db2.gz FCHYGLWDTHCJMB-CVEARBPZSA-N 1 0 353.850 2.981 20 5 FFBDRO C[N@H+](CCNC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)C1CCCC1 ZINC000584372639 518308100 /nfs/dbraw/zinc/30/81/00/518308100.db2.gz FGJVOFGSQZGHIU-UHFFFAOYSA-N 1 0 373.457 2.792 20 5 FFBDRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000567018623 518313777 /nfs/dbraw/zinc/31/37/77/518313777.db2.gz CETATWUXJXNCMC-OAHLLOKOSA-N 1 0 365.474 2.715 20 5 FFBDRO Cn1cncc1[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCO1 ZINC000575941677 518353379 /nfs/dbraw/zinc/35/33/79/518353379.db2.gz GSIKUJVZNTWDKO-AIANPOQGSA-N 1 0 374.445 2.518 20 5 FFBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[N@H+](C)C2(CCCCC2)C1 ZINC000578784647 518372189 /nfs/dbraw/zinc/37/21/89/518372189.db2.gz QTRNDRJKSYNSCC-OAHLLOKOSA-N 1 0 360.458 2.872 20 5 FFBDRO CNc1ccc(C(=O)N[C@@H](C[NH+](C)C)c2ccc(OC)cc2)cc1[N+](=O)[O-] ZINC000581683485 518406218 /nfs/dbraw/zinc/40/62/18/518406218.db2.gz UAVNVLXWKAROSU-KRWDZBQOSA-N 1 0 372.425 2.678 20 5 FFBDRO Cc1cc(S(=O)(=O)NCc2ccc([C@@H](C)[NH3+])cc2)c(C)cc1[N+](=O)[O-] ZINC000564348017 518410413 /nfs/dbraw/zinc/41/04/13/518410413.db2.gz IMISVSAWDNJVOM-CYBMUJFWSA-N 1 0 363.439 2.710 20 5 FFBDRO Cn1c(C(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000576079157 518417756 /nfs/dbraw/zinc/41/77/56/518417756.db2.gz CIMFXBVEXDLLAI-KRWDZBQOSA-N 1 0 370.453 2.965 20 5 FFBDRO CCC[C@@H]1C[NH2+]CCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000572959341 518439557 /nfs/dbraw/zinc/43/95/57/518439557.db2.gz GNKCCNFOEGILBB-CQSZACIVSA-N 1 0 360.439 2.932 20 5 FFBDRO CCCC[N@H+](C)C[C@H](C)NS(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000578931954 518441039 /nfs/dbraw/zinc/44/10/39/518441039.db2.gz BMJFCEJAENPIPI-ZDUSSCGKSA-N 1 0 357.476 2.610 20 5 FFBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]C[C@H](O)COc3ccccc3)c2c1 ZINC000584835256 518500843 /nfs/dbraw/zinc/50/08/43/518500843.db2.gz RQRZSQDIWVRTIM-INIZCTEOSA-N 1 0 355.394 2.648 20 5 FFBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000564610410 518525177 /nfs/dbraw/zinc/52/51/77/518525177.db2.gz KZBXUBQZJHRZOA-CQSZACIVSA-N 1 0 364.446 2.619 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)SCC1CC[NH2+]CC1 ZINC000579117829 518531212 /nfs/dbraw/zinc/53/12/12/518531212.db2.gz UVPMQAFQFCTGHR-LLVKDONJSA-N 1 0 353.444 2.663 20 5 FFBDRO COc1cc(Cl)ccc1C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000581998802 518539082 /nfs/dbraw/zinc/53/90/82/518539082.db2.gz XMNSFBIOAIYATI-OAHLLOKOSA-N 1 0 366.801 2.786 20 5 FFBDRO Cc1c(Br)c(=O)n(CC[C@@H]2CCCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000576332364 518540286 /nfs/dbraw/zinc/54/02/86/518540286.db2.gz LBWJNCZXRXCHGB-NSHDSACASA-N 1 0 358.236 2.702 20 5 FFBDRO CC(C)c1nc(CC[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)cs1 ZINC000576339470 518544850 /nfs/dbraw/zinc/54/48/50/518544850.db2.gz QJBNXEAZIKQMQQ-HNNXBMFYSA-N 1 0 365.455 2.747 20 5 FFBDRO O=[N+]([O-])c1cccc(OCC[N@H+](Cc2ccccc2)[C@]2(CO)CCOC2)c1 ZINC000585718387 518573339 /nfs/dbraw/zinc/57/33/39/518573339.db2.gz FXCCDUGGLXPYGS-FQEVSTJZSA-N 1 0 372.421 2.627 20 5 FFBDRO CC(C)OCC[NH+]1CCC(NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000567556045 518582963 /nfs/dbraw/zinc/58/29/63/518582963.db2.gz RNUAQUBNKMVJSB-HNNXBMFYSA-N 1 0 363.458 2.704 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2CCc3c2ccc(Cl)c3Cl)c1 ZINC000576512259 518628169 /nfs/dbraw/zinc/62/81/69/518628169.db2.gz RYAXMVGIGLPXLI-YGRLFVJLSA-N 1 0 371.224 2.736 20 5 FFBDRO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000576558065 518649622 /nfs/dbraw/zinc/64/96/22/518649622.db2.gz VVLCYMOWIPUJFL-GOSISDBHSA-N 1 0 358.442 2.998 20 5 FFBDRO O=C(CC[NH2+]CC[C@@H]1C(=O)Nc2ccccc21)Nc1ccccc1[N+](=O)[O-] ZINC000582296411 518684118 /nfs/dbraw/zinc/68/41/18/518684118.db2.gz IOLDVTCRRZKJPV-AWEZNQCLSA-N 1 0 368.393 2.639 20 5 FFBDRO C[C@@H]1CCCC[C@H]1OCC[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000570599383 518686454 /nfs/dbraw/zinc/68/64/54/518686454.db2.gz RNRSQBXNTBDNRS-RHSMWYFYSA-N 1 0 370.471 2.553 20 5 FFBDRO Cn1cc(CN2CC[C@@]3(C2)CCC[NH2+]C3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000570719117 518747117 /nfs/dbraw/zinc/74/71/17/518747117.db2.gz KQWJLVNWJZAHBM-IBGZPJMESA-N 1 0 355.442 2.571 20 5 FFBDRO O=[N+]([O-])c1ccccc1CC[NH2+]C[C@H](O)COc1ccc(Cl)cc1 ZINC000579583051 518750379 /nfs/dbraw/zinc/75/03/79/518750379.db2.gz ZZNUZNAPWHTDRG-HNNXBMFYSA-N 1 0 350.802 2.820 20 5 FFBDRO CCc1[nH]nc(C(=O)N(CC[NH+]2CCCC2)c2ccccc2)c1[N+](=O)[O-] ZINC000570783732 518775589 /nfs/dbraw/zinc/77/55/89/518775589.db2.gz HHZVAXBDSOANCP-UHFFFAOYSA-N 1 0 357.414 2.623 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)cc1SC ZINC000582514725 518790495 /nfs/dbraw/zinc/79/04/95/518790495.db2.gz URHUBYBPWCFOST-NWDGAFQWSA-N 1 0 365.455 2.634 20 5 FFBDRO CCn1nccc1N1CCC[C@@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1=O ZINC000582616342 518841073 /nfs/dbraw/zinc/84/10/73/518841073.db2.gz MOGYQWHVARZNRU-JKSUJKDBSA-N 1 0 369.425 2.584 20 5 FFBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000573805195 518845103 /nfs/dbraw/zinc/84/51/03/518845103.db2.gz ZTVJLZPWWYWGRV-NXEZZACHSA-N 1 0 362.352 2.658 20 5 FFBDRO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)CC2 ZINC000579794220 518852874 /nfs/dbraw/zinc/85/28/74/518852874.db2.gz SSYCILFHDQILNW-RBSFLKMASA-N 1 0 373.461 2.595 20 5 FFBDRO CN(CCCN1CC[NH+](C)CC1)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000570992827 518875288 /nfs/dbraw/zinc/87/52/88/518875288.db2.gz CGYNTCTYAZEIGM-UHFFFAOYSA-N 1 0 361.273 2.975 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CN(Cc2ccccc2)CC[C@H]1CO ZINC000582692918 518875541 /nfs/dbraw/zinc/87/55/41/518875541.db2.gz JBKQSPHPUVMBEI-FPOVZHCZSA-N 1 0 369.465 2.876 20 5 FFBDRO CCCN(CC[NH+]1CCCC1)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000573908604 518893707 /nfs/dbraw/zinc/89/37/07/518893707.db2.gz WQQPTYRPZLXKLE-UHFFFAOYSA-N 1 0 358.442 2.953 20 5 FFBDRO C[C@H](C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(C(F)(F)F)cc1 ZINC000582780662 518918994 /nfs/dbraw/zinc/91/89/94/518918994.db2.gz ASKMBUOWJZTKLC-IAQYHMDHSA-N 1 0 372.347 2.564 20 5 FFBDRO C[C@@H]1CC[C@H]([N@H+](CCO)CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000589261246 518966195 /nfs/dbraw/zinc/96/61/95/518966195.db2.gz IXUGASHZOAICMV-YPMHNXCESA-N 1 0 355.822 2.670 20 5 FFBDRO CN1CC[C@H]([NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1 ZINC000589267638 518968561 /nfs/dbraw/zinc/96/85/61/518968561.db2.gz CMDHYZBUXSCCDU-AZUAARDMSA-N 1 0 368.437 2.958 20 5 FFBDRO CC(C)N(C)c1ccccc1C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000571199070 518975370 /nfs/dbraw/zinc/97/53/70/518975370.db2.gz PIKFDWKGJXVTGI-KRWDZBQOSA-N 1 0 373.453 2.969 20 5 FFBDRO Cc1ccc(OCC[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])c(C)c1 ZINC000574074012 518975757 /nfs/dbraw/zinc/97/57/57/518975757.db2.gz FSONQGZTCWMNBJ-INIZCTEOSA-N 1 0 360.410 2.620 20 5 FFBDRO CO[C@@H](C)CC[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000589311578 518978176 /nfs/dbraw/zinc/97/81/76/518978176.db2.gz NPWVHIRXNRNHOL-VIFPVBQESA-N 1 0 364.183 2.714 20 5 FFBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000589537789 519026092 /nfs/dbraw/zinc/02/60/92/519026092.db2.gz ISFDCCMODRYMAC-CQSZACIVSA-N 1 0 374.441 2.758 20 5 FFBDRO Cc1ccc(C[C@@H](C)[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)s1 ZINC000568502567 519073177 /nfs/dbraw/zinc/07/31/77/519073177.db2.gz WBNIOHZMJWRYLT-DOMZBBRYSA-N 1 0 350.440 2.925 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H]2CCCc3sc(Cl)cc32)c1 ZINC000571433035 519095131 /nfs/dbraw/zinc/09/51/31/519095131.db2.gz OIJRTBWDJTZPFP-JQWIXIFHSA-N 1 0 356.835 2.534 20 5 FFBDRO C[C@@H](CN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000565732698 519105371 /nfs/dbraw/zinc/10/53/71/519105371.db2.gz VXHQVZUKNREQFF-MAUKXSAKSA-N 1 0 357.458 2.739 20 5 FFBDRO COc1ccc(C[C@](C)([NH3+])CNc2ccc([N+](=O)[O-])c(OC(C)C)n2)cc1 ZINC000577511143 519117949 /nfs/dbraw/zinc/11/79/49/519117949.db2.gz WNBCAAXQHNYZTE-IBGZPJMESA-N 1 0 374.441 2.580 20 5 FFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1CCCCN1C1CC1 ZINC000580399540 519155281 /nfs/dbraw/zinc/15/52/81/519155281.db2.gz INQRCXYUQMKSRB-KSSFIOAISA-N 1 0 360.458 2.918 20 5 FFBDRO COC(=O)c1cc(C)nc(NC2CC(C)(C)[NH2+]C(C)(C)C2)c1[N+](=O)[O-] ZINC000583267890 519162160 /nfs/dbraw/zinc/16/21/60/519162160.db2.gz AUDHJKMRTADXCB-UHFFFAOYSA-N 1 0 350.419 2.806 20 5 FFBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000590153330 519162718 /nfs/dbraw/zinc/16/27/18/519162718.db2.gz YUCURSHSSMGASF-OAHLLOKOSA-N 1 0 373.375 2.910 20 5 FFBDRO CCCN(Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@@H]1CC(=O)N(C)C1=O ZINC000574468717 519169143 /nfs/dbraw/zinc/16/91/43/519169143.db2.gz TXPZVJONQHROMF-CYBMUJFWSA-N 1 0 373.331 2.583 20 5 FFBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]C[C@H](CO)C1CCCCC1)OCCO2 ZINC000590194581 519169990 /nfs/dbraw/zinc/16/99/90/519169990.db2.gz LVHLTEZAFXELBE-OAHLLOKOSA-N 1 0 350.415 2.644 20 5 FFBDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@@H](C)C1 ZINC000574473716 519172311 /nfs/dbraw/zinc/17/23/11/519172311.db2.gz FZTPMPAMXGDTQG-LXIYXOSZSA-N 1 0 356.426 2.878 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N3CC[C@@H]4C[N@H+](C)C[C@@H]43)cc2[N+](=O)[O-])CC1 ZINC000590446584 519235024 /nfs/dbraw/zinc/23/50/24/519235024.db2.gz UWQQAOQUKZOFNY-APWZRJJASA-N 1 0 372.469 2.607 20 5 FFBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNc1ccc(N)c([N+](=O)[O-])n1 ZINC000590571336 519270524 /nfs/dbraw/zinc/27/05/24/519270524.db2.gz AFKIZMFJHSLYMH-CQSZACIVSA-N 1 0 355.442 2.980 20 5 FFBDRO CCN1CC[NH+](C[C@H](C)CNc2cc(OC)c(C)cc2[N+](=O)[O-])CC1 ZINC000590574666 519271560 /nfs/dbraw/zinc/27/15/60/519271560.db2.gz PVXBGQKSCONEPW-CQSZACIVSA-N 1 0 350.463 2.597 20 5 FFBDRO O=[N+]([O-])c1ccccc1NCCc1noc(-c2ccc3c[nH+]cn3c2)n1 ZINC000571839516 519301059 /nfs/dbraw/zinc/30/10/59/519301059.db2.gz MUDOTWOJISDDIG-UHFFFAOYSA-N 1 0 350.338 2.947 20 5 FFBDRO CSc1cccc(F)c1C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000566130532 519320588 /nfs/dbraw/zinc/32/05/88/519320588.db2.gz QGYXYGJUIHGXJR-LBPRGKRZSA-N 1 0 366.414 2.985 20 5 FFBDRO CC[C@H](C)[NH2+][C@@H](CNC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000583653865 519360110 /nfs/dbraw/zinc/36/01/10/519360110.db2.gz NZXKMVRGDLHWLE-BBRMVZONSA-N 1 0 361.398 2.812 20 5 FFBDRO C[C@@H](NC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)[C@H](C)[NH3+] ZINC000566213937 519373161 /nfs/dbraw/zinc/37/31/61/519373161.db2.gz BOFBCRMZHJWNFI-JGVFFNPUSA-N 1 0 372.212 2.553 20 5 FFBDRO CS[C@H]1CCC[C@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000571993729 519385190 /nfs/dbraw/zinc/38/51/90/519385190.db2.gz HKONDNMBBYFMHA-JSGCOSHPSA-N 1 0 358.485 2.632 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]2)c1C ZINC000578056172 519394641 /nfs/dbraw/zinc/39/46/41/519394641.db2.gz YLXZHLLBPSMSSK-GJZGRUSLSA-N 1 0 367.471 2.507 20 5 FFBDRO O=C(CC[N@@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1)Nc1ccc([N+](=O)[O-])cc1 ZINC000583722170 519397995 /nfs/dbraw/zinc/39/79/95/519397995.db2.gz KUVKKBOEOORSRA-SJLPKXTDSA-N 1 0 359.426 2.957 20 5 FFBDRO Cc1c(Br)cc(C(=O)NC[C@@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000583829251 519454811 /nfs/dbraw/zinc/45/48/11/519454811.db2.gz RVIWZECDHFGUCC-SECBINFHSA-N 1 0 358.236 2.593 20 5 FFBDRO COCC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C1CCCC1 ZINC000591011859 519474078 /nfs/dbraw/zinc/47/40/78/519474078.db2.gz RSWMMTNZBNWOAA-UHFFFAOYSA-N 1 0 365.430 2.823 20 5 FFBDRO Cc1ccnc([C@H]2CC[N@H+](C[C@H](O)COc3ccccc3[N+](=O)[O-])C2)c1 ZINC000566429318 519487932 /nfs/dbraw/zinc/48/79/32/519487932.db2.gz SNYLECDLDHUMCB-HOTGVXAUSA-N 1 0 357.410 2.527 20 5 FFBDRO C[NH+](C)CCOc1cc(-c2noc(-c3ccccc3[N+](=O)[O-])n2)ccn1 ZINC000581104159 519524115 /nfs/dbraw/zinc/52/41/15/519524115.db2.gz KBDFKPSZEQOHPO-UHFFFAOYSA-N 1 0 355.354 2.647 20 5 FFBDRO COC(=O)c1cc(C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)cn1C ZINC000578371269 519558249 /nfs/dbraw/zinc/55/82/49/519558249.db2.gz QBFDEMQTNXBTGQ-UHFFFAOYSA-N 1 0 356.382 2.534 20 5 FFBDRO CSc1ccc(C(=O)NC[C@H]2[NH2+]CCc3ccccc32)cc1[N+](=O)[O-] ZINC000584047803 519565921 /nfs/dbraw/zinc/56/59/21/519565921.db2.gz CTZQLVOVPQNPTN-OAHLLOKOSA-N 1 0 357.435 2.934 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000591270347 519566843 /nfs/dbraw/zinc/56/68/43/519566843.db2.gz XNUXIZPRWMKEEV-ZIAGYGMSSA-N 1 0 362.430 2.847 20 5 FFBDRO COc1cccc(Cl)c1C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000584108766 519594675 /nfs/dbraw/zinc/59/46/75/519594675.db2.gz SEFUCWNNDKWPON-LBPRGKRZSA-N 1 0 366.801 2.786 20 5 FFBDRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000569595484 519624457 /nfs/dbraw/zinc/62/44/57/519624457.db2.gz XUNHHCHPBOBTFZ-UVWXRNBGSA-N 1 0 355.822 2.520 20 5 FFBDRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000594417590 519953762 /nfs/dbraw/zinc/95/37/62/519953762.db2.gz CCRYPJQOOHITKG-MAUKXSAKSA-N 1 0 369.425 2.732 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(CCC(=O)OC(C)(C)C)CC1 ZINC000602892663 519954819 /nfs/dbraw/zinc/95/48/19/519954819.db2.gz MHWGXZMYPCFXKR-UHFFFAOYSA-N 1 0 366.462 2.934 20 5 FFBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599973156 519979474 /nfs/dbraw/zinc/97/94/74/519979474.db2.gz QPCGWSCSEKEYTF-KOLCDFICSA-N 1 0 356.220 2.522 20 5 FFBDRO C[C@@H]1CCCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])[C@@H]1C[NH3+] ZINC000591676391 519993779 /nfs/dbraw/zinc/99/37/79/519993779.db2.gz PGIGJKWUXYGWHX-NOZJJQNGSA-N 1 0 356.220 2.557 20 5 FFBDRO COc1ccccc1C(C)(C)C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000591728177 520014871 /nfs/dbraw/zinc/01/48/71/520014871.db2.gz PISNDDGSJWVCRT-INIZCTEOSA-N 1 0 374.437 2.911 20 5 FFBDRO Cc1c(C[NH2+]C[C@@H](O)COc2cccc3[nH]ccc32)cccc1[N+](=O)[O-] ZINC000591763519 520028836 /nfs/dbraw/zinc/02/88/36/520028836.db2.gz QLOYRLSFLHCVJM-OAHLLOKOSA-N 1 0 355.394 2.914 20 5 FFBDRO CC(=O)c1cccc(OC[C@@H](O)C[NH2+]Cc2cccc([N+](=O)[O-])c2C)c1 ZINC000591763438 520028945 /nfs/dbraw/zinc/02/89/45/520028945.db2.gz COKYVJPQAABRAE-KRWDZBQOSA-N 1 0 358.394 2.635 20 5 FFBDRO O=C(N[C@H]1CC12CC[NH2+]CC2)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000597441202 520031092 /nfs/dbraw/zinc/03/10/92/520031092.db2.gz QGTVJWYRQHJPGZ-RDJZCZTQSA-N 1 0 358.442 2.626 20 5 FFBDRO O=[N+]([O-])c1ccc(CN2CCOCC2)cc1N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594604057 520049838 /nfs/dbraw/zinc/04/98/38/520049838.db2.gz XRPKZDRUBPUBKI-IEBWSBKVSA-N 1 0 374.485 2.856 20 5 FFBDRO O=C(NC1CC1)c1ccc(N[C@H]2CCC[N@@H+]3CCCC[C@H]23)c([N+](=O)[O-])c1 ZINC000594604472 520049957 /nfs/dbraw/zinc/04/99/57/520049957.db2.gz ZORZQZBNOXUCOE-DOTOQJQBSA-N 1 0 358.442 2.916 20 5 FFBDRO CCC[N@@H+]1CC[C@H](NC(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000600110238 520053427 /nfs/dbraw/zinc/05/34/27/520053427.db2.gz ZERCQOQVXBSRKG-JTQLQIEISA-N 1 0 356.220 2.571 20 5 FFBDRO Cc1cccc(CC2C[NH+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)C2)c1 ZINC000612677949 520085544 /nfs/dbraw/zinc/08/55/44/520085544.db2.gz MRCCPKFKCDRNTE-IBGZPJMESA-N 1 0 356.422 2.817 20 5 FFBDRO Cc1ccccc1CC1C[NH+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000612678044 520085805 /nfs/dbraw/zinc/08/58/05/520085805.db2.gz UGDOSOWDUFQXIC-SFHVURJKSA-N 1 0 356.422 2.817 20 5 FFBDRO CNC(=O)c1ccc(NC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000591987099 520122053 /nfs/dbraw/zinc/12/20/53/520122053.db2.gz VGGIQLKKCJXAHE-SJORKVTESA-N 1 0 368.437 2.712 20 5 FFBDRO CN(CC(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000600229082 520140856 /nfs/dbraw/zinc/14/08/56/520140856.db2.gz OPKRSBYJJYMMPS-INIZCTEOSA-N 1 0 360.458 2.554 20 5 FFBDRO O=[N+]([O-])c1ccccc1C[N@@H+](CCCn1ccnc1)[C@H]1CC[C@H](O)CC1 ZINC000592133628 520210647 /nfs/dbraw/zinc/21/06/47/520210647.db2.gz ZJUBVIUQMSRVMK-IYARVYRRSA-N 1 0 358.442 2.987 20 5 FFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCC1(CS(C)(=O)=O)CC1 ZINC000594953458 520229101 /nfs/dbraw/zinc/22/91/01/520229101.db2.gz SWFBRHNJAAHCQM-UVTDQMKNSA-N 1 0 352.456 2.803 20 5 FFBDRO COc1cc(CN[C@@H](C)C[NH+]2CCC(C)CC2)c([N+](=O)[O-])cc1OC ZINC000594979855 520240682 /nfs/dbraw/zinc/24/06/82/520240682.db2.gz MNCJJTGEZUIXLI-AWEZNQCLSA-N 1 0 351.447 2.822 20 5 FFBDRO CN1CCN(Cc2ccccc2)[C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000594993692 520247979 /nfs/dbraw/zinc/24/79/79/520247979.db2.gz HAIXINXQIKPORF-LJQANCHMSA-N 1 0 354.454 2.501 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000595027233 520261558 /nfs/dbraw/zinc/26/15/58/520261558.db2.gz QSXAAFLVZDSKLK-ZIAGYGMSSA-N 1 0 359.430 2.657 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H]1CCCN(c2cnn(C)c2)C1 ZINC000595027229 520262147 /nfs/dbraw/zinc/26/21/47/520262147.db2.gz QSXAAFLVZDSKLK-KGLIPLIRSA-N 1 0 359.430 2.657 20 5 FFBDRO COCCC[NH+]1CCC(N[C@H](C)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000595035368 520263166 /nfs/dbraw/zinc/26/31/66/520263166.db2.gz IMYFYTIJZYAXBN-CQSZACIVSA-N 1 0 351.447 2.755 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CCO[C@@H](c2nccn2C)C1 ZINC000595051254 520270823 /nfs/dbraw/zinc/27/08/23/520270823.db2.gz MNEUVBNEFGHJTQ-GDZNZVCISA-N 1 0 360.414 2.908 20 5 FFBDRO Cn1ccnc1[C@H](N[C@@H]1CC[N@@H+](C(C)(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000595056351 520271661 /nfs/dbraw/zinc/27/16/61/520271661.db2.gz FOPMTLYOKMYXIM-NVXWUHKLSA-N 1 0 357.458 2.880 20 5 FFBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000600473180 520280861 /nfs/dbraw/zinc/28/08/61/520280861.db2.gz SQBXKZJYFYGHMD-MRXNPFEDSA-N 1 0 356.426 2.752 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000597855057 520283946 /nfs/dbraw/zinc/28/39/46/520283946.db2.gz QBWUGUIKJIRZIY-ZDUSSCGKSA-N 1 0 351.472 2.924 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000597859373 520287487 /nfs/dbraw/zinc/28/74/87/520287487.db2.gz CZLFZJHZQNEWAS-AWEZNQCLSA-N 1 0 371.441 2.631 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000609354819 520293410 /nfs/dbraw/zinc/29/34/10/520293410.db2.gz LSFOHGKDQMZRCX-STQMWFEESA-N 1 0 350.419 2.988 20 5 FFBDRO O=C1[C@H](N2CCC([NH+]3CCCCC3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000609449382 520315792 /nfs/dbraw/zinc/31/57/92/520315792.db2.gz JRNCCKJKVWJCRN-LJQANCHMSA-N 1 0 372.469 2.650 20 5 FFBDRO Cn1cc(C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000597925371 520325943 /nfs/dbraw/zinc/32/59/43/520325943.db2.gz NWKDXRSSBIXABB-CQSZACIVSA-N 1 0 371.441 2.598 20 5 FFBDRO CC[C@H]1CN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC[C@H]1[NH3+] ZINC000592331905 520339411 /nfs/dbraw/zinc/33/94/11/520339411.db2.gz CAPFWYOFPLMEQL-SMDDNHRTSA-N 1 0 360.439 2.918 20 5 FFBDRO CC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Br)CC[C@H]1[NH3+] ZINC000592331815 520339702 /nfs/dbraw/zinc/33/97/02/520339702.db2.gz ADDKDFQZGUWMGN-TVQRCGJNSA-N 1 0 356.220 2.557 20 5 FFBDRO C[N@H+](CCn1c(=O)c([N+](=O)[O-])cc2c1CCCC2)Cc1ccc(F)cc1 ZINC000592360386 520349109 /nfs/dbraw/zinc/34/91/09/520349109.db2.gz IIGOMVZCYACAFT-UHFFFAOYSA-N 1 0 359.401 2.906 20 5 FFBDRO CCCN(CC[NH+](CC)CC)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000613146504 520351439 /nfs/dbraw/zinc/35/14/39/520351439.db2.gz CPMBTUOIUOIXTE-UHFFFAOYSA-N 1 0 351.447 2.920 20 5 FFBDRO COc1ccc(NC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000595231214 520362979 /nfs/dbraw/zinc/36/29/79/520362979.db2.gz NPDSAUCWWMYSIV-HZPDHXFCSA-N 1 0 370.409 2.871 20 5 FFBDRO [NH3+]C1(CNC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CCCC1 ZINC000595232002 520363613 /nfs/dbraw/zinc/36/36/13/520363613.db2.gz NNJXUTXHZRLUIA-UHFFFAOYSA-N 1 0 357.208 2.750 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000595256095 520374622 /nfs/dbraw/zinc/37/46/22/520374622.db2.gz AVKZVFTWQGSNGB-QGZVFWFLSA-N 1 0 357.366 2.517 20 5 FFBDRO O=C(CCc1cccc([N+](=O)[O-])c1)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000595259101 520377395 /nfs/dbraw/zinc/37/73/95/520377395.db2.gz YDKIAKCCLCRKGF-SFHVURJKSA-N 1 0 355.394 2.827 20 5 FFBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595262014 520377914 /nfs/dbraw/zinc/37/79/14/520377914.db2.gz FTOOJSRPOYTSAR-QGZVFWFLSA-N 1 0 360.458 2.559 20 5 FFBDRO CC[NH+]1CCN(Cc2ccccc2CNc2cccnc2[N+](=O)[O-])CC1 ZINC000603854256 520379625 /nfs/dbraw/zinc/37/96/25/520379625.db2.gz YKVGTKMCZUREGZ-UHFFFAOYSA-N 1 0 355.442 2.739 20 5 FFBDRO C[C@H](O)[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1F ZINC000592431068 520388441 /nfs/dbraw/zinc/38/84/41/520388441.db2.gz KXSNBVZMOUSHGH-SGTLLEGYSA-N 1 0 361.373 2.774 20 5 FFBDRO Cc1c(NC(=O)[C@H](C)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cccc1[N+](=O)[O-] ZINC000592479180 520407228 /nfs/dbraw/zinc/40/72/28/520407228.db2.gz UELHPKXRGZVSIC-ZOBUZTSGSA-N 1 0 360.458 2.694 20 5 FFBDRO COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000609705266 520411128 /nfs/dbraw/zinc/41/11/28/520411128.db2.gz NEGHAMSYECYZPG-OCCSQVGLSA-N 1 0 369.849 2.611 20 5 FFBDRO O=C(CN1CCC([C@@H]2CC[NH2+]C2)CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000592492056 520413846 /nfs/dbraw/zinc/41/38/46/520413846.db2.gz KAWLPQXRXVYHRS-CYBMUJFWSA-N 1 0 366.849 2.508 20 5 FFBDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000609731665 520416084 /nfs/dbraw/zinc/41/60/84/520416084.db2.gz HOWOVHWYTCSVTD-ZDUSSCGKSA-N 1 0 369.849 2.817 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1[C@@H]2Cc3c(cccc3Cl)[C@@H]21 ZINC000600753397 520449035 /nfs/dbraw/zinc/44/90/35/520449035.db2.gz AVGCOSFFGVYHEP-KLRFSYFPSA-N 1 0 374.824 2.916 20 5 FFBDRO O=[N+]([O-])c1ccc(CN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c(Cl)c1 ZINC000600772294 520459839 /nfs/dbraw/zinc/45/98/39/520459839.db2.gz IIPSWLFCJQKNDR-MRXNPFEDSA-N 1 0 353.850 2.839 20 5 FFBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N(C)CC3C[NH+](C)C3)cc2[N+](=O)[O-])C1 ZINC000598165478 520462783 /nfs/dbraw/zinc/46/27/83/520462783.db2.gz YCVGUVXYWVDGFC-GASCZTMLSA-N 1 0 374.485 2.711 20 5 FFBDRO CCN(CC[NH3+])Cc1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000600777601 520463125 /nfs/dbraw/zinc/46/31/25/520463125.db2.gz VFSTUAPYSKDCQM-UHFFFAOYSA-N 1 0 359.426 2.963 20 5 FFBDRO COc1ccc(CNC(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000595446728 520475745 /nfs/dbraw/zinc/47/57/45/520475745.db2.gz DFLYZFWAQDFXDT-AWEZNQCLSA-N 1 0 364.446 2.523 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N[C@@H]3CCC[N@H+](C)C3)cc2[N+](=O)[O-])C1 ZINC000604197928 520481216 /nfs/dbraw/zinc/48/12/16/520481216.db2.gz BTIWOZKUGOMFDK-GDBMZVCRSA-N 1 0 360.458 2.655 20 5 FFBDRO CCOC(=O)c1ccnc(NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000609963934 520491243 /nfs/dbraw/zinc/49/12/43/520491243.db2.gz JQVKYJWUSCZYCS-STQMWFEESA-N 1 0 350.419 2.841 20 5 FFBDRO Cc1cc(=O)[nH]c(C(C)(C)[NH2+]CCC(=O)Nc2cccc([N+](=O)[O-])c2C)n1 ZINC000595526199 520529210 /nfs/dbraw/zinc/52/92/10/520529210.db2.gz LZWVDEOGQGVEMY-UHFFFAOYSA-N 1 0 373.413 2.561 20 5 FFBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000610100365 520540667 /nfs/dbraw/zinc/54/06/67/520540667.db2.gz WYQVHIKUZLVESH-MSOLQXFVSA-N 1 0 360.458 2.844 20 5 FFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1ccc([N+](=O)[O-])n1C ZINC000610121994 520549562 /nfs/dbraw/zinc/54/95/62/520549562.db2.gz KYKRZNULXIGRAT-OAHLLOKOSA-N 1 0 356.426 2.670 20 5 FFBDRO O=C(NCc1ccccc1)[C@H]1CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595557147 520551620 /nfs/dbraw/zinc/55/16/20/520551620.db2.gz HOHWIFXVFLALPG-INIZCTEOSA-N 1 0 357.385 2.872 20 5 FFBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000595572302 520559888 /nfs/dbraw/zinc/55/98/88/520559888.db2.gz DTTDQRUPWALJKU-LJQANCHMSA-N 1 0 368.437 2.711 20 5 FFBDRO O=C(Nc1ccc(C[NH+]2CCC(O)CC2)cc1)c1csc([N+](=O)[O-])c1 ZINC000604539191 520593326 /nfs/dbraw/zinc/59/33/26/520593326.db2.gz WSDHJBAZYDFDDL-UHFFFAOYSA-N 1 0 361.423 2.865 20 5 FFBDRO Cc1cc(N2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000601183667 520677273 /nfs/dbraw/zinc/67/72/73/520677273.db2.gz BMBWLWBHEQDKNH-CVEARBPZSA-N 1 0 353.426 2.748 20 5 FFBDRO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CCC(C)([NH+]2CCCC2)CC1 ZINC000601215752 520692009 /nfs/dbraw/zinc/69/20/09/520692009.db2.gz ABMNTKPJTRYRTJ-UHFFFAOYSA-N 1 0 361.368 2.802 20 5 FFBDRO COc1cc(C[N@@H+]2CCC[C@@](O)(C3CC3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000595749751 520697800 /nfs/dbraw/zinc/69/78/00/520697800.db2.gz HHMNZYNYWNEOBZ-KRWDZBQOSA-N 1 0 372.368 2.942 20 5 FFBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000610478503 520706607 /nfs/dbraw/zinc/70/66/07/520706607.db2.gz ZWRGRWSLIXFZEN-UHFFFAOYSA-N 1 0 352.354 2.839 20 5 FFBDRO Cn1cc(C[C@H]2CCC[C@H]2[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cn1 ZINC000595767248 520709443 /nfs/dbraw/zinc/70/94/43/520709443.db2.gz AVVDPCNJAXHVPA-UKRRQHHQSA-N 1 0 354.414 2.706 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H]1CCC[C@@H]1Cc1cnn(C)c1 ZINC000595770870 520713137 /nfs/dbraw/zinc/71/31/37/520713137.db2.gz OBJRPQFMIUHFDB-WBVHZDCISA-N 1 0 371.441 2.576 20 5 FFBDRO O=C(C[N@@H+]1CCC[C@H]([C@@H]2CCCCO2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000595789780 520727729 /nfs/dbraw/zinc/72/77/29/520727729.db2.gz OHLNPJXXKVBKFV-LPHOPBHVSA-N 1 0 373.453 2.765 20 5 FFBDRO O=C1CCCC12CC[NH+](CCCn1c(=O)oc3ccc([N+](=O)[O-])cc31)CC2 ZINC000595818628 520744429 /nfs/dbraw/zinc/74/44/29/520744429.db2.gz RDQPCQAOIHCCKD-UHFFFAOYSA-N 1 0 373.409 2.728 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1c2ccccc2CC[C@H]1C[NH3+] ZINC000595903501 520810190 /nfs/dbraw/zinc/81/01/90/520810190.db2.gz WJDSEDXSWQFTIM-HNNXBMFYSA-N 1 0 354.410 2.622 20 5 FFBDRO [NH3+][C@H]1CCc2ccccc2N(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000595904000 520810202 /nfs/dbraw/zinc/81/02/02/520810202.db2.gz LWTADIILFVMPST-HNNXBMFYSA-N 1 0 365.393 2.925 20 5 FFBDRO C[C@@H]1C[N@H+](C)[C@H](C)[C@@H](C)N1C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000593189609 520812332 /nfs/dbraw/zinc/81/23/32/520812332.db2.gz VOMSYWOUBLPUJM-GMTAPVOTSA-N 1 0 357.357 2.749 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000601496275 520812657 /nfs/dbraw/zinc/81/26/57/520812657.db2.gz ALOQTDKIUMERKJ-UHFFFAOYSA-N 1 0 367.471 2.542 20 5 FFBDRO Cc1cc(S(=O)(=O)N2CCC(C)([NH+]3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000601497464 520814834 /nfs/dbraw/zinc/81/48/34/520814834.db2.gz XVGURLLDPDCJPM-UHFFFAOYSA-N 1 0 367.471 2.542 20 5 FFBDRO C[N@H+](Cc1ccccc1)[C@@H](CNc1cc(N)c([N+](=O)[O-])c(CO)c1)C1CC1 ZINC000614153756 520827951 /nfs/dbraw/zinc/82/79/51/520827951.db2.gz VDTNJQOYHXFBQS-IBGZPJMESA-N 1 0 370.453 2.992 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000601549744 520836949 /nfs/dbraw/zinc/83/69/49/520836949.db2.gz AVCFNRRVDWKDCW-OBJOEFQTSA-N 1 0 367.833 2.616 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000601549760 520837216 /nfs/dbraw/zinc/83/72/16/520837216.db2.gz AVCFNRRVDWKDCW-SGMGOOAPSA-N 1 0 367.833 2.616 20 5 FFBDRO COc1cc(C(=O)N2C[C@@H](C[NH3+])Cc3ccccc32)cc([N+](=O)[O-])c1C ZINC000601552626 520837385 /nfs/dbraw/zinc/83/73/85/520837385.db2.gz VURDTLLEPISTRQ-CYBMUJFWSA-N 1 0 355.394 2.690 20 5 FFBDRO [NH3+]C[C@@H]1Cc2ccccc2N(C(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000601555567 520838336 /nfs/dbraw/zinc/83/83/36/520838336.db2.gz YFQWOLYYTDOUSU-ZDUSSCGKSA-N 1 0 357.435 2.851 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000601556432 520839343 /nfs/dbraw/zinc/83/93/43/520839343.db2.gz LLRRUBCNYRBQMJ-IINYFYTJSA-N 1 0 368.231 2.571 20 5 FFBDRO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000601558075 520839666 /nfs/dbraw/zinc/83/96/66/520839666.db2.gz QTYLCIZQCREQKB-MFKMUULPSA-N 1 0 368.231 2.571 20 5 FFBDRO CC[C@@H]1CN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)[C@@H](CC)CO1 ZINC000593258620 520863857 /nfs/dbraw/zinc/86/38/57/520863857.db2.gz QNODDNCUGJOJGD-LSDHHAIUSA-N 1 0 358.398 2.810 20 5 FFBDRO COc1cc(C[NH+](C)C)ccc1NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000601622145 520870420 /nfs/dbraw/zinc/87/04/20/520870420.db2.gz RUNCZPXLEDOWDF-UHFFFAOYSA-N 1 0 361.373 2.985 20 5 FFBDRO COc1cc(C[NH+](C)C)ccc1NC(=O)c1cccc([N+](=O)[O-])c1OC ZINC000601622707 520870507 /nfs/dbraw/zinc/87/05/07/520870507.db2.gz TXHAXBNHLDKPPM-UHFFFAOYSA-N 1 0 359.382 2.926 20 5 FFBDRO NC(=O)c1cc(N[C@@H](C[NH+]2CCCC2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000596071749 520893820 /nfs/dbraw/zinc/89/38/20/520893820.db2.gz VYGOFFVTUWCMAI-KRWDZBQOSA-N 1 0 354.410 2.943 20 5 FFBDRO CCC[N@H+](C)CC(C)(C)NC(=O)c1cc(OC)c(OCC)cc1[N+](=O)[O-] ZINC000598887773 520901160 /nfs/dbraw/zinc/90/11/60/520901160.db2.gz BYZSARYBRZARBQ-UHFFFAOYSA-N 1 0 367.446 2.852 20 5 FFBDRO CCC[N@H+](C)CC(C)(C)NC(=O)c1cc(OCC)c(OC)cc1[N+](=O)[O-] ZINC000598887808 520901966 /nfs/dbraw/zinc/90/19/66/520901966.db2.gz CPYODGSMTXBRNK-UHFFFAOYSA-N 1 0 367.446 2.852 20 5 FFBDRO O=[N+]([O-])c1cccc(Br)c1NCCC[NH+]1CCC(O)CC1 ZINC000596085260 520902320 /nfs/dbraw/zinc/90/23/20/520902320.db2.gz LCWBWQILPBJFMW-UHFFFAOYSA-N 1 0 358.236 2.616 20 5 FFBDRO CC[NH+](CC)CCNC(=O)c1ccc(Oc2cc[nH]c(=O)c2[N+](=O)[O-])cc1 ZINC000596127601 520929260 /nfs/dbraw/zinc/92/92/60/520929260.db2.gz BEUIHWKPOPKDLV-UHFFFAOYSA-N 1 0 374.397 2.559 20 5 FFBDRO CCC1([NH+]2CCCC2)CCN(C(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000601743618 520930792 /nfs/dbraw/zinc/93/07/92/520930792.db2.gz CPMGCUYJBCOQOA-UHFFFAOYSA-N 1 0 361.442 2.841 20 5 FFBDRO CCc1n[nH]c(C(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)c1[N+](=O)[O-] ZINC000618203293 520935716 /nfs/dbraw/zinc/93/57/16/520935716.db2.gz UIAVDNPPSZCIII-MRXNPFEDSA-N 1 0 371.441 2.837 20 5 FFBDRO C[NH+]1CCC(n2cc(NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)cn2)CC1 ZINC000601773219 520944425 /nfs/dbraw/zinc/94/44/25/520944425.db2.gz KNPWERPFCFHSLN-UHFFFAOYSA-N 1 0 371.441 2.974 20 5 FFBDRO COC(=O)c1c(Cl)c(N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000596160220 520945324 /nfs/dbraw/zinc/94/53/24/520945324.db2.gz BEXFBBZZSRQGTP-JOYOIKCWSA-N 1 0 353.806 2.929 20 5 FFBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000598978005 520955529 /nfs/dbraw/zinc/95/55/29/520955529.db2.gz GHFIVRBBSDTCIW-SNVBAGLBSA-N 1 0 356.220 2.571 20 5 FFBDRO C[C@]1(C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)COc2ccccc2O1 ZINC000598984779 520959501 /nfs/dbraw/zinc/95/95/01/520959501.db2.gz ATSJRJCHOOLXMG-IBGZPJMESA-N 1 0 372.377 2.686 20 5 FFBDRO CC[NH+](CC)CC[C@H](CO)Nc1c(Br)cccc1[N+](=O)[O-] ZINC000596218784 520977666 /nfs/dbraw/zinc/97/76/66/520977666.db2.gz IWPMZVJPNIFOQK-LLVKDONJSA-N 1 0 360.252 2.862 20 5 FFBDRO COc1ccc(C[NH2+]CC2COC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000599011507 520978782 /nfs/dbraw/zinc/97/87/82/520978782.db2.gz JLTPCBGYJIUEFD-UHFFFAOYSA-N 1 0 358.394 2.918 20 5 FFBDRO COc1cc(N2CCC(CO)([NH2+]C(C)C)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596251641 520993943 /nfs/dbraw/zinc/99/39/43/520993943.db2.gz UHFVQLWZQPQLQR-UHFFFAOYSA-N 1 0 357.838 2.586 20 5 FFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](CO)c1ccnn1C ZINC000599054309 521004059 /nfs/dbraw/zinc/00/40/59/521004059.db2.gz JCAOYLVGMFPVJW-QWHCGFSZSA-N 1 0 350.444 2.522 20 5 FFBDRO COc1cccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C)cc3)C2)c1[N+](=O)[O-] ZINC000601884406 521006501 /nfs/dbraw/zinc/00/65/01/521006501.db2.gz YBFZGUBEALGMIV-MRXNPFEDSA-N 1 0 369.421 2.916 20 5 FFBDRO CCCC[N@H+](C)CCNC(=O)c1cccc(Cn2nc([N+](=O)[O-])cc2C)c1 ZINC000593464192 521012050 /nfs/dbraw/zinc/01/20/50/521012050.db2.gz FLTLSLVSZWARSP-UHFFFAOYSA-N 1 0 373.457 2.610 20 5 FFBDRO CC1CC[NH+](CCNC(=O)c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000599070078 521015010 /nfs/dbraw/zinc/01/50/10/521015010.db2.gz KEBOMHFXEKIPHL-UHFFFAOYSA-N 1 0 370.247 2.819 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000596307338 521020015 /nfs/dbraw/zinc/02/00/15/521020015.db2.gz KSMYNZJPLSYSEM-GFCCVEGCSA-N 1 0 355.460 2.531 20 5 FFBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1c(Br)cccc1[N+](=O)[O-] ZINC000599083378 521021356 /nfs/dbraw/zinc/02/13/56/521021356.db2.gz KPQNIPAFZOFGPK-MNOVXSKESA-N 1 0 368.231 2.714 20 5 FFBDRO Cc1c([C@H](C)[NH2+]C[C@@H]2CN(Cc3ccncc3)CCO2)cccc1[N+](=O)[O-] ZINC000599088305 521023714 /nfs/dbraw/zinc/02/37/14/521023714.db2.gz QCEHDAOHFJXAMJ-FUHWJXTLSA-N 1 0 370.453 2.850 20 5 FFBDRO CCC(CC)[NH2+]CCNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000599096892 521031612 /nfs/dbraw/zinc/03/16/12/521031612.db2.gz AHVRFMIKAMTKIJ-UHFFFAOYSA-N 1 0 359.430 2.749 20 5 FFBDRO CCC1([NH+]2CCOCC2)CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000599182767 521074702 /nfs/dbraw/zinc/07/47/02/521074702.db2.gz AMKXIUWZKGIJOD-UHFFFAOYSA-N 1 0 360.458 2.644 20 5 FFBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC000596461638 521084860 /nfs/dbraw/zinc/08/48/60/521084860.db2.gz IUEHIXXHXSDZSB-QGZVFWFLSA-N 1 0 357.458 2.873 20 5 FFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000596540041 521123879 /nfs/dbraw/zinc/12/38/79/521123879.db2.gz SCFBQUOIOPISSF-ZDUSSCGKSA-N 1 0 359.348 2.649 20 5 FFBDRO C[NH+](C)CCc1ccc(CNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])cc1 ZINC000593641984 521126665 /nfs/dbraw/zinc/12/66/65/521126665.db2.gz VVGUVPQWBOIWGQ-UHFFFAOYSA-N 1 0 359.401 2.697 20 5 FFBDRO O=c1[nH]cnc2cc(NC[C@H]3CC[N@@H+]3Cc3ccccc3)c([N+](=O)[O-])cc21 ZINC000596553339 521128681 /nfs/dbraw/zinc/12/86/81/521128681.db2.gz QFRNDZUMPWHLOJ-CQSZACIVSA-N 1 0 365.393 2.930 20 5 FFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2Nc2cnn(-c3cc[nH+]cc3)c2)n1 ZINC000618574538 521131089 /nfs/dbraw/zinc/13/10/89/521131089.db2.gz BRIHVAHWKCQJLA-CVEARBPZSA-N 1 0 353.386 2.968 20 5 FFBDRO Cn1nc(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c2ccccc21 ZINC000618575538 521131306 /nfs/dbraw/zinc/13/13/06/521131306.db2.gz PDTGOBHFXKVBNO-PBHICJAKSA-N 1 0 354.414 2.952 20 5 FFBDRO COC(=O)COc1ccc(C[N@@H+]2CCC[C@H](OC(C)C)C2)cc1[N+](=O)[O-] ZINC000593658969 521136569 /nfs/dbraw/zinc/13/65/69/521136569.db2.gz JTJWZDWDXRRODB-HNNXBMFYSA-N 1 0 366.414 2.536 20 5 FFBDRO CS[C@@H]1CN(c2ncnc3ccc([N+](=O)[O-])cc32)C[C@H]1[NH+]1CCCC1 ZINC000614822103 521154417 /nfs/dbraw/zinc/15/44/17/521154417.db2.gz HZIQSUINELRJKL-HZPDHXFCSA-N 1 0 359.455 2.554 20 5 FFBDRO C[C@H]1CCCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1CC[NH3+] ZINC000593735007 521182314 /nfs/dbraw/zinc/18/23/14/521182314.db2.gz TWMRNAURFYPEDF-XHDPSFHLSA-N 1 0 354.838 2.636 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000599391705 521194568 /nfs/dbraw/zinc/19/45/68/521194568.db2.gz QLYKBTLAIQAZMQ-HNNXBMFYSA-N 1 0 367.471 2.589 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)cc1C ZINC000599464732 521239969 /nfs/dbraw/zinc/23/99/69/521239969.db2.gz RNWRREOZKGGMCV-OAHLLOKOSA-N 1 0 367.471 2.507 20 5 FFBDRO COCCC1CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000599506808 521266761 /nfs/dbraw/zinc/26/67/61/521266761.db2.gz JGYATQCZMGEJHZ-UHFFFAOYSA-N 1 0 365.430 2.681 20 5 FFBDRO CCCN(C(=O)c1ccnc(OCC[NH+](C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000602324809 521282088 /nfs/dbraw/zinc/28/20/88/521282088.db2.gz IDWCJOMGDGKXTQ-UHFFFAOYSA-N 1 0 372.425 2.987 20 5 FFBDRO Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)N(C)CC[C@H]([NH3+])C(C)C)c1 ZINC000593902632 521284015 /nfs/dbraw/zinc/28/40/15/521284015.db2.gz CYYIHTMONMAEHA-KRWDZBQOSA-N 1 0 373.457 2.593 20 5 FFBDRO [NH3+]Cc1ccc(CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c(F)c1 ZINC000593915981 521291338 /nfs/dbraw/zinc/29/13/38/521291338.db2.gz MVVGIYVIAMRVFU-UHFFFAOYSA-N 1 0 372.400 2.723 20 5 FFBDRO CCOc1cc(C(=O)N2CCC[C@@H](C)[C@@H]2CC[NH3+])c([N+](=O)[O-])cc1OC ZINC000593933944 521298809 /nfs/dbraw/zinc/29/88/09/521298809.db2.gz GYWXYOQZKMTZHY-OCCSQVGLSA-N 1 0 365.430 2.592 20 5 FFBDRO COc1ccc(NC(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000596827632 521313167 /nfs/dbraw/zinc/31/31/67/521313167.db2.gz FPCPOTDAFKHVDN-CQSZACIVSA-N 1 0 362.430 2.847 20 5 FFBDRO COc1ccc(NC(=O)NCC2CC[NH+](CC3CC3)CC2)cc1[N+](=O)[O-] ZINC000596828884 521314670 /nfs/dbraw/zinc/31/46/70/521314670.db2.gz MROWTCZRMOGDRC-UHFFFAOYSA-N 1 0 362.430 2.847 20 5 FFBDRO CC(C)(C)c1ccc(NC(=O)NCC2([NH3+])CCOCC2)cc1[N+](=O)[O-] ZINC000599603551 521325640 /nfs/dbraw/zinc/32/56/40/521325640.db2.gz DJEOLCHEVUKRFN-UHFFFAOYSA-N 1 0 350.419 2.522 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2C[C@H](c3cnn(C)c3)C(C)(C)C2)c1 ZINC000593998005 521338358 /nfs/dbraw/zinc/33/83/58/521338358.db2.gz MJISEABPUVJTMR-MRXNPFEDSA-N 1 0 372.425 2.741 20 5 FFBDRO COC(=O)[C@](C)(NCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000599651154 521361642 /nfs/dbraw/zinc/36/16/42/521361642.db2.gz HLBHHIAMIPDAES-ZRGWGRIASA-N 1 0 363.458 2.551 20 5 FFBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3c(Br)cccc3[N+](=O)[O-])C[C@H]21 ZINC000602485407 521372950 /nfs/dbraw/zinc/37/29/50/521372950.db2.gz PDORSTAACJTPKU-CKYFFXLPSA-N 1 0 368.231 2.557 20 5 FFBDRO CC[C@@H]1CN(C(=O)c2c(Br)cccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000602492596 521377478 /nfs/dbraw/zinc/37/74/78/521377478.db2.gz NCWUVHZNVOAFMP-MWLCHTKSSA-N 1 0 356.220 2.557 20 5 FFBDRO C[C@@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)N1CCCC[C@@H]1C ZINC000602513214 521388082 /nfs/dbraw/zinc/38/80/82/521388082.db2.gz ARNDWKRDYSJGIZ-HOTGVXAUSA-N 1 0 361.490 2.811 20 5 FFBDRO Cc1nc2n(n1)C[C@@H]([NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])CC2 ZINC000602533609 521398701 /nfs/dbraw/zinc/39/87/01/521398701.db2.gz OZYKZSBJCQLIKP-LBPRGKRZSA-N 1 0 355.320 2.618 20 5 FFBDRO Cc1ccccc1[C@@H](CO)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602564278 521413788 /nfs/dbraw/zinc/41/37/88/521413788.db2.gz KOSYPRTXVGBDLG-GOSISDBHSA-N 1 0 356.426 2.590 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CC3(CCO)CCCCC3)CC2)cn1 ZINC000602563803 521414116 /nfs/dbraw/zinc/41/41/16/521414116.db2.gz OHBXWDOMGOFJHX-UHFFFAOYSA-N 1 0 362.474 2.881 20 5 FFBDRO C[C@@H]1CCC[C@H](C)N1CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602568893 521415400 /nfs/dbraw/zinc/41/54/00/521415400.db2.gz ZBVCXFVRPZFUII-IYBDPMFKSA-N 1 0 361.490 2.811 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H](CCO)C3CCCCC3)CC2)cn1 ZINC000602578277 521418802 /nfs/dbraw/zinc/41/88/02/521418802.db2.gz MTMDPGOLCSSHRJ-GOSISDBHSA-N 1 0 362.474 2.880 20 5 FFBDRO CC(C)C(=O)NCCC[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602579080 521420727 /nfs/dbraw/zinc/42/07/27/521420727.db2.gz ZDKNTCOXELVCFH-UHFFFAOYSA-N 1 0 364.265 2.671 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CCCCc2ccccc2)cc1 ZINC000612028081 521444817 /nfs/dbraw/zinc/44/48/17/521444817.db2.gz CVCVLRRWORJWEX-UHFFFAOYSA-N 1 0 362.451 2.981 20 5 FFBDRO CO[C@@H](CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C(F)(F)F ZINC000602632597 521447127 /nfs/dbraw/zinc/44/71/27/521447127.db2.gz XXVNXJZKEOPNHV-ZDUSSCGKSA-N 1 0 362.352 2.516 20 5 FFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]C[C@@H](CO)c1cccnc1 ZINC000602663088 521466287 /nfs/dbraw/zinc/46/62/87/521466287.db2.gz SYAFJDWPJJMVPR-ZDUSSCGKSA-N 1 0 355.316 2.874 20 5 FFBDRO CCCc1nc(C)c(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)o1 ZINC000602674600 521471866 /nfs/dbraw/zinc/47/18/66/521471866.db2.gz WUYTXCSSMJXPCM-UHFFFAOYSA-N 1 0 359.430 2.997 20 5 FFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+][C@@H]1CCCN(CCCO)C1 ZINC000602675886 521474313 /nfs/dbraw/zinc/47/43/13/521474313.db2.gz WPBRABFSADBYKG-CQSZACIVSA-N 1 0 361.364 2.550 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H](CO)CC3CCCCC3)CC2)cn1 ZINC000602694802 521483451 /nfs/dbraw/zinc/48/34/51/521483451.db2.gz JXSPOKCIAHDFEE-KRWDZBQOSA-N 1 0 362.474 2.880 20 5 FFBDRO CCS(=O)(=O)CCC[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602693569 521484026 /nfs/dbraw/zinc/48/40/26/521484026.db2.gz OBSBPJGZWLDYIG-UHFFFAOYSA-N 1 0 354.350 2.528 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CCCN4CCCC[C@H]34)CC2)cn1 ZINC000602708499 521489560 /nfs/dbraw/zinc/48/95/60/521489560.db2.gz HWFLWNSMBLCCSA-QZTJIDSGSA-N 1 0 359.474 2.565 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CCc4ccc(O)cc43)CC2)cn1 ZINC000602718806 521493420 /nfs/dbraw/zinc/49/34/20/521493420.db2.gz UNHZZPLIEJJIAZ-GOSISDBHSA-N 1 0 354.410 2.941 20 5 FFBDRO C[C@@H]1C[C@H](NC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)c2nccn21 ZINC000597090591 521496003 /nfs/dbraw/zinc/49/60/03/521496003.db2.gz OHMXJUWBEDCAMW-XCBNKYQSSA-N 1 0 350.766 2.854 20 5 FFBDRO C[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12)C[NH+]1CCCC1 ZINC000599830106 521497800 /nfs/dbraw/zinc/49/78/00/521497800.db2.gz DUAOJKMYWGRAEY-CYBMUJFWSA-N 1 0 357.414 2.996 20 5 FFBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597091544 521497929 /nfs/dbraw/zinc/49/79/29/521497929.db2.gz CMJOSTQODKWYCQ-MFKMUULPSA-N 1 0 367.837 2.921 20 5 FFBDRO CC(C)[C@H]1CN(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)CC[N@@H+]1C ZINC000597095686 521500828 /nfs/dbraw/zinc/50/08/28/521500828.db2.gz FDRQDXGJYJHOKF-CYBMUJFWSA-N 1 0 355.826 2.634 20 5 FFBDRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000594258109 521514312 /nfs/dbraw/zinc/51/43/12/521514312.db2.gz NBFWBKXXOJTPEF-QILLFSRXSA-N 1 0 360.458 2.824 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CCN(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000602786545 521530646 /nfs/dbraw/zinc/53/06/46/521530646.db2.gz QZRRSDCZKGNRDX-GOSISDBHSA-N 1 0 357.458 2.554 20 5 FFBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594284314 521537172 /nfs/dbraw/zinc/53/71/72/521537172.db2.gz VQXCHRPTSIPMBW-WMZOPIPTSA-N 1 0 360.458 2.796 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H]1Cn1c(C)nc2ccccc21 ZINC000602795360 521537731 /nfs/dbraw/zinc/53/77/31/521537731.db2.gz MOSONJVRTASLOL-INIZCTEOSA-N 1 0 368.441 2.922 20 5 FFBDRO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@H+](Cc4ccns4)CC3)nc2c1 ZINC000602809253 521545683 /nfs/dbraw/zinc/54/56/83/521545683.db2.gz PAZIOXVNQQGIIN-UHFFFAOYSA-N 1 0 358.427 2.640 20 5 FFBDRO Cn1cc(C[N@H+]2C[C@]3(C)COC[C@]3(C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000597195237 521568383 /nfs/dbraw/zinc/56/83/83/521568383.db2.gz FFZQPFAKMSYPGJ-KDURUIRLSA-N 1 0 356.426 2.854 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)CCC[NH+]1CCCC1 ZINC000619617784 521797214 /nfs/dbraw/zinc/79/72/14/521797214.db2.gz COJHJHKVMPWICR-ZDUSSCGKSA-N 1 0 369.849 2.960 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](CC)C[NH+]1CCCC1 ZINC000619637857 521805816 /nfs/dbraw/zinc/80/58/16/521805816.db2.gz WBKGUCLSUHOCLC-ZDUSSCGKSA-N 1 0 350.419 2.989 20 5 FFBDRO CC(C)[N@@H+]1CCCC[C@H]1CN1C(=O)N[C@](C)(c2cccc([N+](=O)[O-])c2)C1=O ZINC000619864428 521909541 /nfs/dbraw/zinc/90/95/41/521909541.db2.gz OZJKWYBURAEOJN-QFBILLFUSA-N 1 0 374.441 2.625 20 5 FFBDRO CC(C)[N@@H+]1CCCC[C@@H]1CN1C(=O)N[C@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000619863438 521909575 /nfs/dbraw/zinc/90/95/75/521909575.db2.gz FUDKKTIACPVLER-VQIMIIECSA-N 1 0 374.441 2.625 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000619871919 521912548 /nfs/dbraw/zinc/91/25/48/521912548.db2.gz JZXIXDUXYAKJII-CYBMUJFWSA-N 1 0 367.833 2.575 20 5 FFBDRO C[C@@H]([NH2+]CCOc1ccc(-c2nn[nH]n2)cc1)c1ccccc1[N+](=O)[O-] ZINC000820419210 599382419 /nfs/dbraw/zinc/38/24/19/599382419.db2.gz FTIQUQRVZJTKQZ-GFCCVEGCSA-N 1 0 354.370 2.505 20 5 FFBDRO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])c(-c2nn[nH]n2)c1)c1ccc(F)cc1 ZINC000825848814 607451840 /nfs/dbraw/zinc/45/18/40/607451840.db2.gz FZVADPGFYMHBDL-INIZCTEOSA-N 1 0 371.376 2.629 20 5 FFBDRO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1NCCCCCCC[NH+]1CCCC1 ZINC000823624913 606702056 /nfs/dbraw/zinc/70/20/56/606702056.db2.gz KJJCDVCJJTZQFA-UHFFFAOYSA-N 1 0 374.449 2.628 20 5 FFBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@H]1CCCc2cc(-c3nn[nH]n3)ccc21 ZINC000826500241 608515103 /nfs/dbraw/zinc/51/51/03/608515103.db2.gz PQAXCKOWNPZEQD-KRWDZBQOSA-N 1 0 364.409 2.985 20 5 FFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)cc1 ZINC000826498112 608520886 /nfs/dbraw/zinc/52/08/86/608520886.db2.gz HVCXKNYPCSTCDJ-KRWDZBQOSA-N 1 0 350.382 2.942 20 5 FFBDRO C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824656555 609314409 /nfs/dbraw/zinc/31/44/09/609314409.db2.gz LPPUMYCNBDWLQN-STQMWFEESA-N 1 0 371.445 2.840 20 5 FFBDRO C[N@@H+]1CCO[C@H]2CN(c3ccc4ccc5ccc(Cl)nc5c4n3)C[C@H]21 ZINC001164671915 719396183 /nfs/dbraw/zinc/39/61/83/719396183.db2.gz ZWAGWDILYQGQTP-CABCVRRESA-N 1 0 354.841 2.956 20 5 FFBDRO O=[N+]([O-])c1c[nH]c2ccc(N3CC[C@@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)nc21 ZINC001164724694 720402463 /nfs/dbraw/zinc/40/24/63/720402463.db2.gz KOCZLXGWUSWNIN-CVEARBPZSA-N 1 0 364.409 2.719 20 5 FFBDRO Cc1ccnc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c1[N+](=O)[O-] ZINC001164899726 721521309 /nfs/dbraw/zinc/52/13/09/721521309.db2.gz LYRBLYQERJPRDH-DOTOQJQBSA-N 1 0 372.400 2.779 20 5 FFBDRO C[N@@H+]1CCC[C@H](CNC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000155109197 728820383 /nfs/dbraw/zinc/82/03/83/728820383.db2.gz KSYNAECZDQERRV-SNVBAGLBSA-N 1 0 371.235 2.821 20 5 FFBDRO CC(C)[N@H+](C)CCNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000155122116 728820817 /nfs/dbraw/zinc/82/08/17/728820817.db2.gz AWSMGZJBJDGAMC-UHFFFAOYSA-N 1 0 359.224 2.819 20 5 FFBDRO O=C1C[C@]2([NH2+]Cc3cc(Br)c([N+](=O)[O-])s3)CCCC[C@@H]2N1 ZINC000898462204 735363249 /nfs/dbraw/zinc/36/32/49/735363249.db2.gz FQHGHQNNWOYKEB-GXFFZTMASA-N 1 0 374.260 2.710 20 5 FFBDRO CC[C@@H](C(=O)O[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])[NH+](CC)CC ZINC000745096499 735399025 /nfs/dbraw/zinc/39/90/25/735399025.db2.gz WTRABZZGPCBOHW-OCCSQVGLSA-N 1 0 351.403 2.585 20 5 FFBDRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000078800685 728304265 /nfs/dbraw/zinc/30/42/65/728304265.db2.gz VPHAPLULBRHJIZ-CYBMUJFWSA-N 1 0 370.837 2.823 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000081096042 728393917 /nfs/dbraw/zinc/39/39/17/728393917.db2.gz JRAVLPFOIBHNAA-IUODEOHRSA-N 1 0 368.865 2.849 20 5 FFBDRO Cc1cc(C(=O)N2CCN(Cc3cccs3)CC2)c(N)c([N+](=O)[O-])c1 ZINC000104136311 728500653 /nfs/dbraw/zinc/50/06/53/728500653.db2.gz XTBMEYYRYQTKIR-UHFFFAOYSA-N 1 0 360.439 2.505 20 5 FFBDRO COC[C@H]1CCCN([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000112986068 728551477 /nfs/dbraw/zinc/55/14/77/728551477.db2.gz WZUGRXDNAVPMAN-NEPJUHHUSA-N 1 0 355.822 2.934 20 5 FFBDRO C[C@H](NS(=O)(=O)c1csc([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000120308065 728609526 /nfs/dbraw/zinc/60/95/26/728609526.db2.gz IFHZWWMZUHARGS-NWDGAFQWSA-N 1 0 373.500 2.588 20 5 FFBDRO CC[C@@](C)(O)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000123511414 728659488 /nfs/dbraw/zinc/65/94/88/728659488.db2.gz UOLMMGMHIWCRMI-OAHLLOKOSA-N 1 0 361.364 2.897 20 5 FFBDRO O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N1CCc2c[nH+]ccc21 ZINC000175006247 729084639 /nfs/dbraw/zinc/08/46/39/729084639.db2.gz KYVQVIZSUGIGOB-UHFFFAOYSA-N 1 0 355.322 2.680 20 5 FFBDRO C[C@@H]([NH2+]C(C)(C)c1cnn(C)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000754876842 736212401 /nfs/dbraw/zinc/21/24/01/736212401.db2.gz CVAHHXWNPRKVGJ-SNVBAGLBSA-N 1 0 365.821 2.834 20 5 FFBDRO COc1cc(C[NH2+]C2CCOCC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000195422193 729537890 /nfs/dbraw/zinc/53/78/90/729537890.db2.gz ZSMVJEQFDBHRII-UHFFFAOYSA-N 1 0 364.320 2.813 20 5 FFBDRO [NH3+][C@@H]1CCC[C@H]2CN(Cc3ccc(Br)c([N+](=O)[O-])c3)C[C@H]21 ZINC000228546840 729549470 /nfs/dbraw/zinc/54/94/70/729549470.db2.gz AGLMCCXMLDUSEV-OUCADQQQSA-N 1 0 354.248 2.917 20 5 FFBDRO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000906201144 736469334 /nfs/dbraw/zinc/46/93/34/736469334.db2.gz WDHAYHSLORBKRU-CVEARBPZSA-N 1 0 351.834 2.924 20 5 FFBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)C1 ZINC000906840626 736549949 /nfs/dbraw/zinc/54/99/49/736549949.db2.gz KCEALVJLDAADNF-NSHDSACASA-N 1 0 354.838 2.634 20 5 FFBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@]2(CCC[NH2+]2)C1 ZINC000424027825 729862098 /nfs/dbraw/zinc/86/20/98/729862098.db2.gz NAVKZDDVWQNVHR-OAHLLOKOSA-N 1 0 355.847 2.695 20 5 FFBDRO CC(C)[NH2+][C@@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2Br)C1 ZINC000760809996 736670178 /nfs/dbraw/zinc/67/01/78/736670178.db2.gz DYPAUWIHMIMXRB-LLVKDONJSA-N 1 0 370.247 2.960 20 5 FFBDRO C[NH+](C)C1CCN(CCNc2cccc(Br)c2[N+](=O)[O-])CC1 ZINC000856734718 730351908 /nfs/dbraw/zinc/35/19/08/730351908.db2.gz XAGVKWXAHLHBBW-UHFFFAOYSA-N 1 0 371.279 2.795 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000857634725 730403282 /nfs/dbraw/zinc/40/32/82/730403282.db2.gz MISRELFAPSDUQA-NSHDSACASA-N 1 0 370.247 2.960 20 5 FFBDRO CC1([NH+]2CCOCC2)CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000862960185 730737878 /nfs/dbraw/zinc/73/78/78/730737878.db2.gz ISTCOGHAUPUVCF-UHFFFAOYSA-N 1 0 367.833 2.575 20 5 FFBDRO COc1cc(C[NH2+]C[C@H]2CCC23CCOCC3)c([N+](=O)[O-])cc1OC ZINC000865777823 730996496 /nfs/dbraw/zinc/99/64/96/730996496.db2.gz CMWULVDHMWTFTE-CQSZACIVSA-N 1 0 350.415 2.908 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+]CC(C)(C)C(C)(F)F)cc1[N+](=O)[O-] ZINC000865789834 730997685 /nfs/dbraw/zinc/99/76/85/730997685.db2.gz VNUHYZMHVZFRCH-UHFFFAOYSA-N 1 0 360.357 2.918 20 5 FFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCc1cn2c(n1)SCC2 ZINC000866341377 731050573 /nfs/dbraw/zinc/05/05/73/731050573.db2.gz QGLLDHFCLXIYJL-NSHDSACASA-N 1 0 350.419 2.799 20 5 FFBDRO COc1cc(CN2CCC[C@H]3[NH2+]CC[C@@H]32)c([N+](=O)[O-])cc1OC(F)F ZINC000866720054 731091235 /nfs/dbraw/zinc/09/12/35/731091235.db2.gz BSENOCVPOLAQMT-NEPJUHHUSA-N 1 0 357.357 2.531 20 5 FFBDRO C[C@@]([NH3+])(C(=O)NCCSCCC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000867995664 731249702 /nfs/dbraw/zinc/24/97/02/731249702.db2.gz UXBSMVJJRHINKG-ZDUSSCGKSA-N 1 0 365.377 2.571 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H](C)C1CC[NH2+]CC1 ZINC000868012934 731251385 /nfs/dbraw/zinc/25/13/85/731251385.db2.gz WQUNGIDKNAXNHZ-WDEREUQCSA-N 1 0 355.822 2.520 20 5 FFBDRO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000868108518 731259728 /nfs/dbraw/zinc/25/97/28/731259728.db2.gz MCDCOZOLQGAGES-ZYHUDNBSSA-N 1 0 356.329 2.554 20 5 FFBDRO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000868158334 731265217 /nfs/dbraw/zinc/26/52/17/731265217.db2.gz NWOTYHMXBWRDGK-QWHCGFSZSA-N 1 0 369.219 2.716 20 5 FFBDRO C[N@@H+]1CC[C@H]2CN(C(=O)NCCc3ccc(Cl)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000868480610 731296658 /nfs/dbraw/zinc/29/66/58/731296658.db2.gz BKYOBZYYSPJTDA-ZFWWWQNUSA-N 1 0 366.849 2.526 20 5 FFBDRO COCCOC1(C[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])CCOCC1 ZINC000872074435 731726759 /nfs/dbraw/zinc/72/67/59/731726759.db2.gz DUGIZRNQHJIDPH-CYBMUJFWSA-N 1 0 356.394 2.597 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N(C)CCCCCC[NH3+])cc1SC ZINC000877439710 732362416 /nfs/dbraw/zinc/36/24/16/732362416.db2.gz CPZAMHMOYLOUDZ-UHFFFAOYSA-N 1 0 355.460 2.916 20 5 FFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@H](CO)c3ccc(Cl)cc3)C2)c1 ZINC000877533409 732382617 /nfs/dbraw/zinc/38/26/17/732382617.db2.gz PPKSXOAWVKGMIG-LRVUVFPRSA-N 1 0 350.806 2.514 20 5 FFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]Cc3ccc4c(c3)OC(F)(F)O4)C2)c1 ZINC000877604056 732397032 /nfs/dbraw/zinc/39/70/32/732397032.db2.gz HIKLMWJEOCKRLE-UHFFFAOYSA-N 1 0 352.297 2.606 20 5 FFBDRO O=C(CC[N@@H+]1CC[C@H]2CSC[C@H]2C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000879566781 732724884 /nfs/dbraw/zinc/72/48/84/732724884.db2.gz YGUVBIMCLFDJEP-NWDGAFQWSA-N 1 0 353.419 2.747 20 5 FFBDRO C[N@@H+]1CC[C@@H]2CN(Cc3cccc([N+](=O)[O-])c3Br)CC[C@H]21 ZINC000879579077 732728501 /nfs/dbraw/zinc/72/85/01/732728501.db2.gz JOGUXXVIHKTPHR-DGCLKSJQSA-N 1 0 354.248 2.883 20 5 FFBDRO O=[N+]([O-])c1ccc(CN2CCC[C@@H]([NH2+]C3CCOCC3)C2)c(Cl)c1 ZINC000880203119 732865210 /nfs/dbraw/zinc/86/52/10/732865210.db2.gz DDJGTGPDZGHFRS-OAHLLOKOSA-N 1 0 353.850 2.981 20 5 FFBDRO O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCCN(c2cc[nH+]cc2)CC1 ZINC000880385957 732900781 /nfs/dbraw/zinc/90/07/81/732900781.db2.gz ZYWLNKSVYXTUMV-UHFFFAOYSA-N 1 0 360.801 2.996 20 5 FFBDRO O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000881472015 733059410 /nfs/dbraw/zinc/05/94/10/733059410.db2.gz DVLQEJAQVXXANO-CYBMUJFWSA-N 1 0 367.833 2.621 20 5 FFBDRO CC1([NH+]2CCC2)CCN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000882508201 733236827 /nfs/dbraw/zinc/23/68/27/733236827.db2.gz WTQWKVJGGMMSQE-UHFFFAOYSA-N 1 0 353.369 2.773 20 5 FFBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1C[C@@H](O)C12CCOCC2 ZINC000927155771 738698110 /nfs/dbraw/zinc/69/81/10/738698110.db2.gz XJBQTCNMHFZXIR-KNXALSJPSA-N 1 0 352.456 2.897 20 5 FFBDRO CN(CCCC[NH+]1CCCCC1)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000882799101 733296685 /nfs/dbraw/zinc/29/66/85/733296685.db2.gz PGRJNUBMHHTKRM-UHFFFAOYSA-N 1 0 373.450 2.621 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H](O)C(F)(F)C(F)(F)F ZINC000883362693 733373818 /nfs/dbraw/zinc/37/38/18/733373818.db2.gz LJYVOQYGSNEMFN-CPCISQLKSA-N 1 0 358.263 2.813 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2nc(-c3cn(C4CC[NH2+]CC4)nn3)cs2)cc1 ZINC000887403704 733922795 /nfs/dbraw/zinc/92/27/95/733922795.db2.gz FWDCNFFZJAIWJL-UHFFFAOYSA-N 1 0 356.411 2.901 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2nc(-c3cn([C@@H]4CCC[NH2+]C4)nn3)cs2)cc1 ZINC000887404160 733922853 /nfs/dbraw/zinc/92/28/53/733922853.db2.gz XMVBCFMXBSFFCB-CYBMUJFWSA-N 1 0 356.411 2.901 20 5 FFBDRO CC[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])s2)(C(F)(F)F)CC1 ZINC000891206264 734395806 /nfs/dbraw/zinc/39/58/06/734395806.db2.gz HBKWISADCKAFLN-UHFFFAOYSA-N 1 0 351.350 2.803 20 5 FFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCCc3c2cnn3CCO)cc1Cl ZINC000783600234 738818529 /nfs/dbraw/zinc/81/85/29/738818529.db2.gz LIQLCZUEWARSSF-CQSZACIVSA-N 1 0 350.806 2.604 20 5 FFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCCC[C@@H]2N2CCOCC2)cc1Cl ZINC000783651277 738822761 /nfs/dbraw/zinc/82/27/61/738822761.db2.gz PRGDMKFMVILIQY-RDJZCZTQSA-N 1 0 353.850 2.981 20 5 FFBDRO C[C@@]1(NC(=O)c2cccc([N+](=O)[O-])c2Br)C[NH+]2CCC1CC2 ZINC000892776352 734602227 /nfs/dbraw/zinc/60/22/27/734602227.db2.gz GWONFXZRIJDLTO-OAHLLOKOSA-N 1 0 368.231 2.571 20 5 FFBDRO CC[NH+](CC)C[C@@H](C)Nc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000731991018 734711011 /nfs/dbraw/zinc/71/10/11/734711011.db2.gz NBXXFHPLZQLKPI-SNVBAGLBSA-N 1 0 365.402 2.733 20 5 FFBDRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000894048514 734793025 /nfs/dbraw/zinc/79/30/25/734793025.db2.gz ZGGTVGPRGYJEQO-GJZGRUSLSA-N 1 0 366.849 2.669 20 5 FFBDRO CC(C)[C@@H](C[NH+](C)C)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000733167600 734794869 /nfs/dbraw/zinc/79/48/69/734794869.db2.gz WMDMHJLIOSUEFL-DGCLKSJQSA-N 1 0 357.838 2.718 20 5 FFBDRO CC[C@@H](C(=O)OCC(=O)Nc1c(C)cccc1[N+](=O)[O-])[NH+](CC)CC ZINC000741032664 735111841 /nfs/dbraw/zinc/11/18/41/735111841.db2.gz MAXONXORVSCLSQ-ZDUSSCGKSA-N 1 0 351.403 2.505 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000747375624 735560259 /nfs/dbraw/zinc/56/02/59/735560259.db2.gz PJXHEVDFBBQMMD-RLCCDNCMSA-N 1 0 367.833 2.572 20 5 FFBDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000750078365 735769685 /nfs/dbraw/zinc/76/96/85/735769685.db2.gz DVSIVONKFNJBSQ-ZDUSSCGKSA-N 1 0 369.849 2.821 20 5 FFBDRO COc1cc(CN2CCC[C@@]23CC[NH2+]C3)c([N+](=O)[O-])cc1OC(F)F ZINC000903864938 736180053 /nfs/dbraw/zinc/18/00/53/736180053.db2.gz OCRMNMGEKYHJKB-INIZCTEOSA-N 1 0 357.357 2.533 20 5 FFBDRO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1CC[NH+](CC(C)C)CC1 ZINC000759613350 736580986 /nfs/dbraw/zinc/58/09/86/736580986.db2.gz XPDYIAQVNZJXRV-UHFFFAOYSA-N 1 0 353.394 2.689 20 5 FFBDRO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000768542223 737431147 /nfs/dbraw/zinc/43/11/47/737431147.db2.gz QNLSJWGYQISEGJ-TZMCWYRMSA-N 1 0 369.849 2.611 20 5 FFBDRO CN(CC[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C ZINC000768747753 737454658 /nfs/dbraw/zinc/45/46/58/737454658.db2.gz PYKXTMMAWCLTIW-UHFFFAOYSA-N 1 0 353.419 2.772 20 5 FFBDRO O=[N+]([O-])c1cc(S(=O)(=O)N2CCC(C[NH+]3CCCCC3)CC2)cs1 ZINC000768809098 737460637 /nfs/dbraw/zinc/46/06/37/737460637.db2.gz GHELRZLSJZAXJC-UHFFFAOYSA-N 1 0 373.500 2.543 20 5 FFBDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000769391992 737523477 /nfs/dbraw/zinc/52/34/77/737523477.db2.gz FRYFWVJNOPCVSN-ZDUSSCGKSA-N 1 0 351.403 2.573 20 5 FFBDRO CS[C@H]1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000772580351 737824863 /nfs/dbraw/zinc/82/48/63/737824863.db2.gz SXSTVAYIBUIIGE-GJZGRUSLSA-N 1 0 352.416 2.519 20 5 FFBDRO Cc1c([N+](=O)[O-])cc(C(=O)OCC[C@@H]2CCCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000919226245 737845562 /nfs/dbraw/zinc/84/55/62/737845562.db2.gz DIDQQZYTRKIEIF-ZDUSSCGKSA-N 1 0 351.359 2.843 20 5 FFBDRO CC[C@H](CSC)[N@H+](C)CN1CCN(c2ccccc2[N+](=O)[O-])C1=O ZINC000773260624 737886277 /nfs/dbraw/zinc/88/62/77/737886277.db2.gz YNJKHTPLOSQVLX-CYBMUJFWSA-N 1 0 352.460 2.868 20 5 FFBDRO CC1([NH+]2CCC2)CCN(C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)CC1 ZINC000922168407 738100220 /nfs/dbraw/zinc/10/02/20/738100220.db2.gz PARNKARQHQJRQH-UHFFFAOYSA-N 1 0 352.822 2.531 20 5 FFBDRO CN(CCC[NH+](C)C)C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000775817134 738128953 /nfs/dbraw/zinc/12/89/53/738128953.db2.gz BTDVRJZFDPVBLP-UHFFFAOYSA-N 1 0 362.199 2.520 20 5 FFBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]C[C@H]1CC[C@@H](C(F)(F)F)O1)OCCO2 ZINC000922463484 738149431 /nfs/dbraw/zinc/14/94/31/738149431.db2.gz SAEKWJJXVWQKFP-YGRLFVJLSA-N 1 0 362.304 2.566 20 5 FFBDRO CSc1cccc(C(=O)OC[C@H]2C[N@H+](CC(C)C)CCO2)c1[N+](=O)[O-] ZINC000777316321 738278221 /nfs/dbraw/zinc/27/82/21/738278221.db2.gz XRVDIFPTHJRICG-CYBMUJFWSA-N 1 0 368.455 2.830 20 5 FFBDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000778262330 738367607 /nfs/dbraw/zinc/36/76/07/738367607.db2.gz UCUJKVILNFPAPX-GHMZBOCLSA-N 1 0 363.443 2.592 20 5 FFBDRO CN(C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)[C@H]1CCC[N@H+](C)C1 ZINC000929832134 739026397 /nfs/dbraw/zinc/02/63/97/739026397.db2.gz AUKFFWSUWKODAI-NSHDSACASA-N 1 0 358.345 2.754 20 5 FFBDRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000790765576 739492678 /nfs/dbraw/zinc/49/26/78/739492678.db2.gz QBRVLMHFSCRVIJ-OAHLLOKOSA-N 1 0 357.813 2.728 20 5 FFBDRO Cn1cc([C@H]2CSCCC[N@@H+]2C[C@@H](O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000933976758 739713517 /nfs/dbraw/zinc/71/35/17/739713517.db2.gz UTIIHEBBAAVLTO-IAGOWNOFSA-N 1 0 362.455 2.542 20 5 FFBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC000935941429 740035289 /nfs/dbraw/zinc/03/52/89/740035289.db2.gz SHKYWJDQSPFSIE-UWVGGRQHSA-N 1 0 370.812 2.668 20 5 FFBDRO CC(C)[C@H](C(=O)OCc1ccc([N+](=O)[O-])cc1Br)[NH+](C)C ZINC000798832847 740366193 /nfs/dbraw/zinc/36/61/93/740366193.db2.gz YADTVRWGVVIYKF-CYBMUJFWSA-N 1 0 359.220 2.987 20 5 FFBDRO Cc1ccc(N2CC[NH+](C(C)(C)CO)CC2)c([N+](=O)[O-])c1Br ZINC000804460894 740876254 /nfs/dbraw/zinc/87/62/54/740876254.db2.gz BCZRDIBVPMJODX-UHFFFAOYSA-N 1 0 372.263 2.559 20 5 FFBDRO CS[C@@H]1CN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000804622368 740889771 /nfs/dbraw/zinc/88/97/71/740889771.db2.gz CMIKXFHFUMPQPD-ZIAGYGMSSA-N 1 0 352.416 2.519 20 5 FFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)OC[C@@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC000805823184 741014417 /nfs/dbraw/zinc/01/44/17/741014417.db2.gz ARPSZTIQEKIBFO-ZDUSSCGKSA-N 1 0 368.455 2.830 20 5 FFBDRO CN(C)Cc1cnc(C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)s1 ZINC000808453142 741226912 /nfs/dbraw/zinc/22/69/12/741226912.db2.gz XHMQYKUOCJMTAG-UHFFFAOYSA-N 1 0 359.455 2.927 20 5 FFBDRO C[C@H](C[N+](=O)[O-])OC(=O)c1ccccc1OCC[N@@H+]1CCCC[C@@H]1C ZINC000814045110 741787877 /nfs/dbraw/zinc/78/78/77/741787877.db2.gz MTIWIMDSXLCWFA-LSDHHAIUSA-N 1 0 350.415 2.762 20 5 FFBDRO CC[C@H](C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)NC(=O)OC(C)(C)C ZINC000819342190 742378962 /nfs/dbraw/zinc/37/89/62/742378962.db2.gz PENMBTSRQYARTR-HIFRSBDPSA-N 1 0 353.419 2.521 20 5 FFBDRO CC[NH+]1CCC(NC(=O)Cc2ccccc2[N+](=O)[O-])(C(F)(F)F)CC1 ZINC000821654824 742649061 /nfs/dbraw/zinc/64/90/61/742649061.db2.gz WWQCCICAADRTFX-UHFFFAOYSA-N 1 0 359.348 2.670 20 5 FFBDRO CC(C)(CCC(=O)NCC1([NH+]2CCSCC2)CCCCC1)[N+](=O)[O-] ZINC000823271986 742870880 /nfs/dbraw/zinc/87/08/80/742870880.db2.gz DOBLSXCHXXJFSX-UHFFFAOYSA-N 1 0 357.520 2.690 20 5 FFBDRO Cc1cc(Cl)c(C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000826047763 743361415 /nfs/dbraw/zinc/36/14/15/743361415.db2.gz OOTGELZQUVEBKO-CYBMUJFWSA-N 1 0 369.849 2.739 20 5 FFBDRO C[NH+]1C[C@]2(C)CN(C(=O)CCc3c(Cl)cccc3[N+](=O)[O-])C[C@@]2(C)C1 ZINC000827598506 743609121 /nfs/dbraw/zinc/60/91/21/743609121.db2.gz ROKHRKYCYGJBMS-QZTJIDSGSA-N 1 0 365.861 2.981 20 5 FFBDRO CC(C)OCCOC1CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000832494638 745707681 /nfs/dbraw/zinc/70/76/81/745707681.db2.gz RWQQYNCJTGGVTJ-SFHVURJKSA-N 1 0 352.431 2.534 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1C ZINC000839502882 746841972 /nfs/dbraw/zinc/84/19/72/746841972.db2.gz IEDPIEAYSRRDAM-OCCSQVGLSA-N 1 0 368.865 2.991 20 5 FFBDRO CC[C@@H](C(=O)N[C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F)[NH+](C)C ZINC000840526937 747116468 /nfs/dbraw/zinc/11/64/68/747116468.db2.gz KTLZDUGXPSGYSM-JOYOIKCWSA-N 1 0 351.300 2.794 20 5 FFBDRO CCS(=O)(=O)CCC[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000840973596 747247854 /nfs/dbraw/zinc/24/78/54/747247854.db2.gz QUMYMBKZATVJFK-UHFFFAOYSA-N 1 0 355.243 2.816 20 5 FFBDRO CC(C)[C@](C)(C[NH3+])NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841160282 747283930 /nfs/dbraw/zinc/28/39/30/747283930.db2.gz BOUIPNPXVFGJND-ZDUSSCGKSA-N 1 0 359.224 2.852 20 5 FFBDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000841161908 747285014 /nfs/dbraw/zinc/28/50/14/747285014.db2.gz PTEXOYJTXZKKJJ-ZJUUUORDSA-N 1 0 371.235 2.948 20 5 FFBDRO C[C@H]1CN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000841162635 747285352 /nfs/dbraw/zinc/28/53/52/747285352.db2.gz YQNVDRDWNYNGRL-GZMMTYOYSA-N 1 0 357.208 2.558 20 5 FFBDRO C[C@H]([NH3+])[C@H]1CCCN([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000843354342 747815896 /nfs/dbraw/zinc/81/58/96/747815896.db2.gz ZOAWEAGSPWZPHF-SRVKXCTJSA-N 1 0 354.838 2.634 20 5 FFBDRO CCCN(CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000843360594 747817601 /nfs/dbraw/zinc/81/76/01/747817601.db2.gz APIYSHFAKFMHTG-UHFFFAOYSA-N 1 0 354.838 2.651 20 5 FFBDRO Cc1cc([C@@H]([NH3+])CC(=O)N2CCc3c2cccc3[N+](=O)[O-])cc(Cl)n1 ZINC000843440287 747837652 /nfs/dbraw/zinc/83/76/52/747837652.db2.gz SLHOVSFEUKHXRG-ZDUSSCGKSA-N 1 0 360.801 2.931 20 5 FFBDRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@H]12)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000847256369 748663327 /nfs/dbraw/zinc/66/33/27/748663327.db2.gz PQAUIAJXFKYYSM-LSDHHAIUSA-N 1 0 353.369 2.820 20 5 FFBDRO CCOc1cc([N+](=O)[O-])c(C(=O)OCC[C@H]2CC[N@H+](C)C2)cc1OC ZINC000847827112 748790906 /nfs/dbraw/zinc/79/09/06/748790906.db2.gz HNMSTUYKPMHFNM-GFCCVEGCSA-N 1 0 352.387 2.501 20 5 FFBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC2CCC1(C[NH3+])CC2 ZINC000848600684 748970860 /nfs/dbraw/zinc/97/08/60/748970860.db2.gz ICTLFSWAHZXSRC-DLGFLZQMSA-N 1 0 366.849 2.779 20 5 FFBDRO CC(C)c1ccc(C[NH2+]CCS(=O)(=O)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000850364163 749352936 /nfs/dbraw/zinc/35/29/36/749352936.db2.gz RGJAMDSOTYFATC-UHFFFAOYSA-N 1 0 368.377 2.785 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)CCC2 ZINC000850518255 749379867 /nfs/dbraw/zinc/37/98/67/749379867.db2.gz OBIVKEXBZFVQGX-ZDUSSCGKSA-N 1 0 366.361 2.539 20 5 FFBDRO C[C@@]1(C2CC2)C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCO1 ZINC000852322570 749834133 /nfs/dbraw/zinc/83/41/33/749834133.db2.gz MUIOXQAWTXMFKA-KRWDZBQOSA-N 1 0 351.378 2.563 20 5 FFBDRO O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000854332962 750284475 /nfs/dbraw/zinc/28/44/75/750284475.db2.gz KLVYROFKVIWRFP-CYBMUJFWSA-N 1 0 367.833 2.575 20 5 FFBDRO CNc1nccc(C(=O)NCC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000521595746 821308125 /nfs/dbraw/zinc/30/81/25/821308125.db2.gz DKNQIZFLYDNADE-STQMWFEESA-N 1 0 363.462 2.518 20 5 FFBDRO Cc1cc(N2CCO[C@@H](c3ccnn3C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000896831596 971789286 /nfs/dbraw/zinc/78/92/86/971789286.db2.gz ILLBGFGUSYPSDH-GOSISDBHSA-N 1 0 353.382 2.763 20 5 FFBDRO O=C1CN(C[N@@H+]2CC[C@H]3CCCC[C@@H]3C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC001116021083 1032067979 /nfs/dbraw/zinc/06/79/79/1032067979.db2.gz DVHQUJRJOCXELA-HUUCEWRRSA-N 1 0 372.425 2.833 20 5 FFBDRO C[NH2+]Cc1cn(-c2ncc([N+](=O)[O-])cc2C(=O)OC)c2ccc(C)cc12 ZINC001167121564 960185759 /nfs/dbraw/zinc/18/57/59/960185759.db2.gz NKKVJBYMPBHQBP-UHFFFAOYSA-N 1 0 354.366 2.748 20 5 FFBDRO O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1N1Cc2ccccc2C2(CC[NH2+]CC2)C1 ZINC001167160777 960335985 /nfs/dbraw/zinc/33/59/85/960335985.db2.gz CPWLKJIHDLZMGA-UHFFFAOYSA-N 1 0 374.828 2.523 20 5 FFBDRO Nc1ccc(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000010050374 1013315691 /nfs/dbraw/zinc/31/56/91/1013315691.db2.gz NADNBKSEOLTZGT-SFHVURJKSA-N 1 0 354.410 2.744 20 5 FFBDRO Cn1ccnc1[C@H](NC[C@@H]1CCC(C)(C)C[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC000873236741 1013437903 /nfs/dbraw/zinc/43/79/03/1013437903.db2.gz JJYKUFBPOMXPLQ-DOTOQJQBSA-N 1 0 357.458 2.786 20 5 FFBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccccc3)cc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001022064418 964195602 /nfs/dbraw/zinc/19/56/02/964195602.db2.gz GMUFTRYMLQOYAF-IYWMVGAKSA-N 1 0 365.433 2.756 20 5 FFBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N(C[C@@H](C)[NH+](C)C)c1c(C)cccc1C ZINC000891568636 964502943 /nfs/dbraw/zinc/50/29/43/964502943.db2.gz LVSYEROZMRHIMF-OAHLLOKOSA-N 1 0 373.457 2.700 20 5 FFBDRO O=C(CC[N@@H+]1C[C@@H]2C[C@H]1CN2c1ccccc1)Nc1ccc([N+](=O)[O-])cc1 ZINC001175725187 1013544404 /nfs/dbraw/zinc/54/44/04/1013544404.db2.gz VHWJXCXVNNKJJZ-OALUTQOASA-N 1 0 366.421 2.887 20 5 FFBDRO Cn1c2ccccc2c(N2CCC[N@@H+](C(C)(C)C)CC2)c([N+](=O)[O-])c1=O ZINC000892123666 966019003 /nfs/dbraw/zinc/01/90/03/966019003.db2.gz YJBVSDRRRINUCU-UHFFFAOYSA-N 1 0 358.442 2.757 20 5 FFBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCOC[C@H]2C[C@@H]2CCCO2)cc1 ZINC001176611803 1013736111 /nfs/dbraw/zinc/73/61/11/1013736111.db2.gz XIMLDYYTBOLCEU-AEFFLSMTSA-N 1 0 350.415 2.634 20 5 FFBDRO Cc1ncc(C[NH3+])c(=N)n1-c1nc2c(ccc3ccccc32)nc1Cl ZINC001167673086 967855435 /nfs/dbraw/zinc/85/54/35/967855435.db2.gz JNGDQCNVTUDMNV-UHFFFAOYSA-N 1 0 350.813 2.869 20 5 FFBDRO COC1CC[NH+](C(C)(C)CNC(=O)c2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000874443573 1013837412 /nfs/dbraw/zinc/83/74/12/1013837412.db2.gz OCJRAFZMXUWHCW-UHFFFAOYSA-N 1 0 363.458 2.831 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)c2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])C[C@H]1C ZINC000892642114 969676832 /nfs/dbraw/zinc/67/68/32/969676832.db2.gz MCCIZUKRRRHABF-KGLIPLIRSA-N 1 0 358.442 2.756 20 5 FFBDRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000874845395 1013916167 /nfs/dbraw/zinc/91/61/67/1013916167.db2.gz GGJZLLIUHJJPMO-AEFFLSMTSA-N 1 0 372.469 2.506 20 5 FFBDRO C[C@@H](NC(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1)C(C)(C)C[NH+](C)C ZINC000895436730 970611737 /nfs/dbraw/zinc/61/17/37/970611737.db2.gz PYDRYGFQQSGHOC-CQSZACIVSA-N 1 0 373.457 2.546 20 5 FFBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cc4ccccc4c([N+](=O)[O-])c3N)CC[C@@H]21 ZINC000897016383 973155045 /nfs/dbraw/zinc/15/50/45/973155045.db2.gz GRHSAGVYWSAMQL-PBHICJAKSA-N 1 0 368.437 2.887 20 5 FFBDRO CC[NH2+][C@H](C)CNC(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000262436528 973184096 /nfs/dbraw/zinc/18/40/96/973184096.db2.gz GMNMDKHBSJGZFH-SOUVJXGZSA-N 1 0 362.474 2.805 20 5 FFBDRO C[C@H](CNC(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2)c1ccccc1[N+](=O)[O-] ZINC000897059246 973205377 /nfs/dbraw/zinc/20/53/77/973205377.db2.gz BGQIRQMUGXXNFE-BEFAXECRSA-N 1 0 360.458 2.826 20 5 FFBDRO C[N@H+](Cc1cccc(C(F)F)c1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985426234 974054687 /nfs/dbraw/zinc/05/46/87/974054687.db2.gz NVKRNDIWKYOQHH-HZPDHXFCSA-N 1 0 367.396 2.712 20 5 FFBDRO CC[NH+]1CCN(c2cc(N(C)C(=O)c3ccc(C)o3)cc([N+](=O)[O-])c2)CC1 ZINC000876230660 1014190480 /nfs/dbraw/zinc/19/04/80/1014190480.db2.gz HOVKKPUZSNEMSA-UHFFFAOYSA-N 1 0 372.425 2.915 20 5 FFBDRO CC(C)(C)c1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1 ZINC000981136907 976263760 /nfs/dbraw/zinc/26/37/60/976263760.db2.gz LIOPHPZQHBTKRX-QZTJIDSGSA-N 1 0 359.470 2.684 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000843802941 976843536 /nfs/dbraw/zinc/84/35/36/976843536.db2.gz FQTVCTTYZMLAIH-FZMZJTMJSA-N 1 0 364.402 2.756 20 5 FFBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC000893825992 977562441 /nfs/dbraw/zinc/56/24/41/977562441.db2.gz BCELXNWDWUQMMY-ZIAGYGMSSA-N 1 0 356.426 2.510 20 5 FFBDRO Cc1ccc([C@@H](O)C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1 ZINC000876959125 1014433228 /nfs/dbraw/zinc/43/32/28/1014433228.db2.gz HATHSAQBMSFGLP-SFHVURJKSA-N 1 0 356.426 2.590 20 5 FFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@@H]3CCCN(c4cccc(F)c4)C3)C2)c1 ZINC000877030534 1014454749 /nfs/dbraw/zinc/45/47/49/1014454749.db2.gz FMWKSQVNLFWMGY-HPUBIQBYSA-N 1 0 359.405 2.893 20 5 FFBDRO Cn1ccnc1C[C@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000877066042 1014468104 /nfs/dbraw/zinc/46/81/04/1014468104.db2.gz BCIPPSBDQWDJKB-HTWSVDAQSA-N 1 0 366.425 2.802 20 5 FFBDRO C[C@H]1C[C@@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CN1Cc1ccccc1 ZINC000877093794 1014475591 /nfs/dbraw/zinc/47/55/91/1014475591.db2.gz FECWCGFWSXUXHK-FQXVJMBOSA-N 1 0 355.442 2.747 20 5 FFBDRO C[C@@H](c1ccncc1)N1CCC([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000877115878 1014478706 /nfs/dbraw/zinc/47/87/06/1014478706.db2.gz UXTIPJPADYKRFK-NNGSBXSVSA-N 1 0 370.457 2.705 20 5 FFBDRO C[NH+](C)[C@@H](CNC(=O)NCCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000126320273 978358779 /nfs/dbraw/zinc/35/87/79/978358779.db2.gz MZMCSINMQBAYQB-SFHVURJKSA-N 1 0 356.426 2.739 20 5 FFBDRO Cc1cc(F)cc(C(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c1[N+](=O)[O-] ZINC000261844727 978489023 /nfs/dbraw/zinc/48/90/23/978489023.db2.gz URQMTJLVYDDCPI-PBHICJAKSA-N 1 0 357.385 2.857 20 5 FFBDRO C[C@@H](O)[C@@](C)(C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)Cc1ccccc1 ZINC000877473242 1014593795 /nfs/dbraw/zinc/59/37/95/1014593795.db2.gz JHEXTIHILLXHJV-FOSZKXBFSA-N 1 0 358.442 2.714 20 5 FFBDRO [NH3+]CCN(Cc1ccc(C(=O)N2CCCC2)cc1)c1ccccc1[N+](=O)[O-] ZINC000877522514 1014610674 /nfs/dbraw/zinc/61/06/74/1014610674.db2.gz AWPZTKAHWPUROP-UHFFFAOYSA-N 1 0 368.437 2.796 20 5 FFBDRO C[C@@H]1[C@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CCN1Cc1ccccc1 ZINC000877535015 1014617057 /nfs/dbraw/zinc/61/70/57/1014617057.db2.gz RTWHWENNVANOTN-FOSZKXBFSA-N 1 0 355.442 2.747 20 5 FFBDRO Cn1cc(CN2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000877742598 1014704522 /nfs/dbraw/zinc/70/45/22/1014704522.db2.gz FMBCPXUUWJFOHF-YJBOKZPZSA-N 1 0 355.442 2.521 20 5 FFBDRO O=[N+]([O-])c1ccccc1-c1nnc(CN2CCC[C@@H]([NH+]3CCCC3)C2)o1 ZINC000877970410 1014791431 /nfs/dbraw/zinc/79/14/31/1014791431.db2.gz NBEFLGXXEIMZKN-CQSZACIVSA-N 1 0 357.414 2.705 20 5 FFBDRO CCOC(=O)C1([C@@H](C)[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCOCC1 ZINC000897745669 982508447 /nfs/dbraw/zinc/50/84/47/982508447.db2.gz MUWCQVDRCJNWJH-PMGBHYCQSA-N 1 0 362.426 2.946 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+]C[C@@H]2CCCC(C)(C)O2)cc1[N+](=O)[O-] ZINC000898049019 982588207 /nfs/dbraw/zinc/58/82/07/982588207.db2.gz UQFOBXSJDQTVGP-AWEZNQCLSA-N 1 0 366.414 2.584 20 5 FFBDRO Cc1nc2ccccn2c1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000898271761 982662327 /nfs/dbraw/zinc/66/23/27/982662327.db2.gz IJMDRWTWJBEPHR-UHFFFAOYSA-N 1 0 366.425 2.705 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C[C@H]1C ZINC000878163348 1014894133 /nfs/dbraw/zinc/89/41/33/1014894133.db2.gz QJLAMHGXSSYYLS-ZIAGYGMSSA-N 1 0 359.430 2.949 20 5 FFBDRO O=C([C@@H]1CC[C@@H]2CCCC[C@H]2[NH2+]1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000911973175 983929553 /nfs/dbraw/zinc/92/95/53/983929553.db2.gz GXXKZSPHSFRPFU-IPELMVKDSA-N 1 0 372.469 2.554 20 5 FFBDRO O=C(CC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1)Nc1cccc(F)c1 ZINC000028844242 983998967 /nfs/dbraw/zinc/99/89/67/983998967.db2.gz AWGRMOMACSYOGT-UHFFFAOYSA-N 1 0 372.400 2.885 20 5 FFBDRO CN(C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)[C@@H]1CCC[N@H+](C)C1 ZINC000151095547 984177428 /nfs/dbraw/zinc/17/74/28/984177428.db2.gz ULHKWPXEUHJUEW-MRXNPFEDSA-N 1 0 360.458 2.751 20 5 FFBDRO Cc1cc(F)cc(C(=O)NC2CC[NH+](CCOC(C)C)CC2)c1[N+](=O)[O-] ZINC000151207688 984210975 /nfs/dbraw/zinc/21/09/75/984210975.db2.gz PQVZSEXZMPOJQC-UHFFFAOYSA-N 1 0 367.421 2.662 20 5 FFBDRO C[N@@H+]1C[C@@]2(C)CN(C(=O)c3cc([N+](=O)[O-])ccc3N3CCCC3)C[C@@]2(C)C1 ZINC000913293804 984234704 /nfs/dbraw/zinc/23/47/04/984234704.db2.gz URGFOEYDECCHAJ-BGYRXZFFSA-N 1 0 372.469 2.609 20 5 FFBDRO Nc1ccc(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1[N+](=O)[O-] ZINC000046374408 984677328 /nfs/dbraw/zinc/67/73/28/984677328.db2.gz NEBGETGFTLMGLB-UHFFFAOYSA-N 1 0 354.410 2.703 20 5 FFBDRO O=[N+]([O-])c1ccc2cnn(CN3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)c2c1 ZINC000158032883 984745120 /nfs/dbraw/zinc/74/51/20/984745120.db2.gz RHQVSPLPRGBJER-QAPCUYQASA-N 1 0 355.442 2.851 20 5 FFBDRO CC(C)(C)OC(=O)NC[C@@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000170647469 985104376 /nfs/dbraw/zinc/10/43/76/985104376.db2.gz UNNQNMXZGLZCKG-AWEZNQCLSA-N 1 0 365.430 2.820 20 5 FFBDRO C[C@@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(N2CCOC2=O)cc1 ZINC000765846247 986713937 /nfs/dbraw/zinc/71/39/37/986713937.db2.gz XGDJQNGQTVAJNW-ACJLOTCBSA-N 1 0 371.393 2.936 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@@H](O)Cc3ccccc3)CC2)cc1 ZINC000132201069 987661288 /nfs/dbraw/zinc/66/12/88/987661288.db2.gz WNTOBLOTNMWXNH-FQEVSTJZSA-N 1 0 355.438 2.757 20 5 FFBDRO Cc1c(-n2nc(-c3ccccc3)nc2CC[NH3+])ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001168713977 988179241 /nfs/dbraw/zinc/17/92/41/988179241.db2.gz PBKAUHTYEQNRPD-UHFFFAOYSA-N 1 0 368.353 2.560 20 5 FFBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)N(CC(C)C)CC1CC[NH+](C)CC1 ZINC000879214688 1015413604 /nfs/dbraw/zinc/41/36/04/1015413604.db2.gz UNLWQHFKEVSKNX-UHFFFAOYSA-N 1 0 363.462 2.552 20 5 FFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[C@H]2C[N@@H+](C/C=C\c3ccccc3)C[C@H]2CC1 ZINC000946589067 988771540 /nfs/dbraw/zinc/77/15/40/988771540.db2.gz DPHYXTGSBAAMKS-DNJKDJJLSA-N 1 0 369.465 2.535 20 5 FFBDRO C[C@@H](CNC(=O)c1cc(F)ccc1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000153934768 989772376 /nfs/dbraw/zinc/77/23/76/989772376.db2.gz YMULQTBONWRDKO-ZDUSSCGKSA-N 1 0 357.385 2.911 20 5 FFBDRO C[NH+](C)CCN(CCc1ccccc1)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000917674152 990258948 /nfs/dbraw/zinc/25/89/48/990258948.db2.gz RUJNBMFJZJPZSI-UHFFFAOYSA-N 1 0 359.401 2.980 20 5 FFBDRO Cc1cc(C)cc(C[NH2+]Cc2ccc(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cc2)c1 ZINC001034815725 990274660 /nfs/dbraw/zinc/27/46/60/990274660.db2.gz CLENDMQWCFZNNN-WOJBJXKFSA-N 1 0 367.449 2.875 20 5 FFBDRO CCc1cccc(C[N@@H+]2CCC3(C2)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC3)c1 ZINC001035187548 990410168 /nfs/dbraw/zinc/41/01/68/990410168.db2.gz WFUDOMBSDFVYOX-RTBURBONSA-N 1 0 371.481 2.729 20 5 FFBDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000919769062 990726727 /nfs/dbraw/zinc/72/67/27/990726727.db2.gz MQDHOUJOXVEDFS-AWEZNQCLSA-N 1 0 373.457 2.571 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N3CC[N@@H+]4CCC[C@H]4C3)cc2[N+](=O)[O-])CC1 ZINC000195316893 990842542 /nfs/dbraw/zinc/84/25/42/990842542.db2.gz HHJPUWICFAGXNF-KRWDZBQOSA-N 1 0 372.469 2.751 20 5 FFBDRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000920749923 990914093 /nfs/dbraw/zinc/91/40/93/990914093.db2.gz MQECYBSANTWSKX-HNNXBMFYSA-N 1 0 362.474 2.901 20 5 FFBDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000923315642 991058001 /nfs/dbraw/zinc/05/80/01/991058001.db2.gz LUAIYSDCCMDGKQ-JKSUJKDBSA-N 1 0 358.442 2.504 20 5 FFBDRO CN(Cc1ccc([N+](=O)[O-])c(F)c1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000711789538 991168943 /nfs/dbraw/zinc/16/89/43/991168943.db2.gz QFLBRBLAGILZAT-FQEVSTJZSA-N 1 0 373.428 2.803 20 5 FFBDRO Cc1nccn1C[C@@H](C)CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000069008910 991570359 /nfs/dbraw/zinc/57/03/59/991570359.db2.gz OUJDAMXIXPKRFB-AWEZNQCLSA-N 1 0 371.441 2.766 20 5 FFBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]Cc3ncc(C4OCCO4)s3)c2c1 ZINC000809792217 994612398 /nfs/dbraw/zinc/61/23/98/994612398.db2.gz MOILZTINAHEBLZ-UHFFFAOYSA-N 1 0 374.422 2.910 20 5 FFBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC001132801139 995143426 /nfs/dbraw/zinc/14/34/26/995143426.db2.gz JVPGUTLUPTXHAX-BFYDXBDKSA-N 1 0 374.485 2.901 20 5 FFBDRO COc1cc(COC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)c([N+](=O)[O-])cc1F ZINC000811444996 995148094 /nfs/dbraw/zinc/14/80/94/995148094.db2.gz NRKWSNUQAZRWOT-QGZVFWFLSA-N 1 0 372.368 2.998 20 5 FFBDRO CCOc1cc(NC(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)ccc1[N+](=O)[O-] ZINC000888830804 1015951071 /nfs/dbraw/zinc/95/10/71/1015951071.db2.gz CYQSPNOFADBMTO-SFHVURJKSA-N 1 0 362.430 2.943 20 5 FFBDRO O=C(O[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1)c1ccc2c[nH+]cn2c1 ZINC000813171328 995633284 /nfs/dbraw/zinc/63/32/84/995633284.db2.gz TWPCTBWSKDYELT-SFHVURJKSA-N 1 0 366.377 2.674 20 5 FFBDRO CN1Cc2ccccc2[C@@H]1CNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000826725018 1016032560 /nfs/dbraw/zinc/03/25/60/1016032560.db2.gz UEQRJKVFYUDTQV-KRWDZBQOSA-N 1 0 355.394 2.667 20 5 FFBDRO Nc1ccc(NC(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000823987331 996773209 /nfs/dbraw/zinc/77/32/09/996773209.db2.gz PWZKBVFOEMQMQE-MRXNPFEDSA-N 1 0 369.425 2.963 20 5 FFBDRO Nc1ccc(NC(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000823993522 996773557 /nfs/dbraw/zinc/77/35/57/996773557.db2.gz GZVSGYWELHXKBG-MRXNPFEDSA-N 1 0 369.425 2.963 20 5 FFBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)Nc1cccc(C[N@@H+]2CC[C@H](O)C2)c1 ZINC000843889496 997482196 /nfs/dbraw/zinc/48/21/96/997482196.db2.gz CIKRYJCSBRCLAY-HNNXBMFYSA-N 1 0 373.384 2.861 20 5 FFBDRO Cc1c([N+](=O)[O-])cc(C(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)cc1[N+](=O)[O-] ZINC000730841966 997514803 /nfs/dbraw/zinc/51/48/03/997514803.db2.gz UMGURQGRIHBDEO-VXGBXAGGSA-N 1 0 364.402 2.804 20 5 FFBDRO C[NH+]1CCN(c2ccccc2NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000844298176 997779308 /nfs/dbraw/zinc/77/93/08/997779308.db2.gz HSHGRGDXRQFOAH-UHFFFAOYSA-N 1 0 372.400 2.667 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])cc(-n2cc(C[C@@H](C)[NH3+])c3ccc(C)cc32)n1 ZINC001171166354 998369631 /nfs/dbraw/zinc/36/96/31/998369631.db2.gz UYOMKFWIBPHEDO-GFCCVEGCSA-N 1 0 368.393 2.918 20 5 FFBDRO O=C1CCCN1C[C@@H]1CCCC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000732213518 998536321 /nfs/dbraw/zinc/53/63/21/998536321.db2.gz WSESPOCJRBWXLS-KRWDZBQOSA-N 1 0 361.442 2.841 20 5 FFBDRO COC(=O)[C@@H]1CC12CC[NH+](Cn1cc(-c3ccc([N+](=O)[O-])cc3)cn1)CC2 ZINC000733792132 999073232 /nfs/dbraw/zinc/07/32/32/999073232.db2.gz LGBWQXMMZNSHOB-KRWDZBQOSA-N 1 0 370.409 2.691 20 5 FFBDRO C[C@@H]1CN(C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCN1C ZINC000742200447 999764276 /nfs/dbraw/zinc/76/42/76/999764276.db2.gz XYJBWAQPSDBWPF-LLVKDONJSA-N 1 0 374.363 2.578 20 5 FFBDRO CN1CCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)[C@@H](c2ccccc2)C1 ZINC000745753163 999928872 /nfs/dbraw/zinc/92/88/72/999928872.db2.gz HZWOPYJFXZGQJI-GOSISDBHSA-N 1 0 373.384 2.628 20 5 FFBDRO C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn([C@H]3CC[C@H](C[N+](=O)[O-])C3)cc2)CC1 ZINC001168981156 1000012350 /nfs/dbraw/zinc/01/23/50/1000012350.db2.gz GOCQDZWDYLVRQQ-CGGHNXFVSA-N 1 0 374.485 2.687 20 5 FFBDRO [NH3+]CCCc1nc2ccc(Cl)cc2n1-c1ncnc(Cl)c1[N+](=O)[O-] ZINC001168991828 1000013762 /nfs/dbraw/zinc/01/37/62/1000013762.db2.gz NVJZKJARGPRYRJ-UHFFFAOYSA-N 1 0 367.196 2.922 20 5 FFBDRO COc1cc([N+](=O)[O-])cnc1-n1c(CCC[NH3+])nc2ccc(Cl)cc21 ZINC001168991379 1000013774 /nfs/dbraw/zinc/01/37/74/1000013774.db2.gz JQTLKNSYUJFTTR-UHFFFAOYSA-N 1 0 361.789 2.882 20 5 FFBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CC2CCN(c3ncnc4ccccc43)CC2)C1 ZINC001168998333 1000014462 /nfs/dbraw/zinc/01/44/62/1000014462.db2.gz LICJKPVRLYHTGH-IRXDYDNUSA-N 1 0 369.469 2.881 20 5 FFBDRO CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC[C@@H]2C1 ZINC001169010588 1000015353 /nfs/dbraw/zinc/01/53/53/1000015353.db2.gz DVBRXITVXODCRJ-XUWVNRHRSA-N 1 0 353.463 2.621 20 5 FFBDRO CC(C)(C)OC(=O)N[C@@]12CCC[C@@H]1C[N@@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169011033 1000015395 /nfs/dbraw/zinc/01/53/95/1000015395.db2.gz HLXXRBZEVGUMBL-LUXYFRNMSA-N 1 0 353.463 2.811 20 5 FFBDRO CC(C)(C)OC(=O)N1CCCCC12C[NH+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169038317 1000017020 /nfs/dbraw/zinc/01/70/20/1000017020.db2.gz YCLNNKMEMXXZBC-CABCVRRESA-N 1 0 353.463 2.907 20 5 FFBDRO O=C1C[C@H](c2ccccc2)C2(CC[NH+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)N1 ZINC001169025232 1000018077 /nfs/dbraw/zinc/01/80/77/1000018077.db2.gz SUXLHPILEKFEPY-BPQIPLTHSA-N 1 0 357.454 2.570 20 5 FFBDRO O=C(NCC1CC1)[C@@H]1CCC2(C1)CC[NH+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169026346 1000018214 /nfs/dbraw/zinc/01/82/14/1000018214.db2.gz LETKFEDIAGLSLZ-RCCFBDPRSA-N 1 0 363.502 2.840 20 5 FFBDRO CS(=O)(=O)c1cccc(C2CC[NH+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)c1 ZINC001169054839 1000018933 /nfs/dbraw/zinc/01/89/33/1000018933.db2.gz NTKKTSPJOGZQLA-YOEHRIQHSA-N 1 0 366.483 2.715 20 5 FFBDRO COC(=O)C[C@H]([NH2+]Cc1c(Br)cccc1[N+](=O)[O-])C1CC1 ZINC001169122953 1000022835 /nfs/dbraw/zinc/02/28/35/1000022835.db2.gz FVKGFCCPJZAGLQ-LBPRGKRZSA-N 1 0 357.204 2.789 20 5 FFBDRO CC(C)c1n[nH]c(C(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)c1[N+](=O)[O-] ZINC000771559261 1001148377 /nfs/dbraw/zinc/14/83/77/1001148377.db2.gz CZDIRXMQRRTXNS-UHFFFAOYSA-N 1 0 359.430 2.775 20 5 FFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC001149018221 1001250399 /nfs/dbraw/zinc/25/03/99/1001250399.db2.gz JBNHZWJSBOGURR-OAHLLOKOSA-N 1 0 361.442 2.797 20 5 FFBDRO CC[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000772357869 1001361635 /nfs/dbraw/zinc/36/16/35/1001361635.db2.gz SPXNZDZWEBEADB-JKSUJKDBSA-N 1 0 360.458 2.506 20 5 FFBDRO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000746665834 1001680750 /nfs/dbraw/zinc/68/07/50/1001680750.db2.gz GTXKJMCWYHXOAB-HIFRSBDPSA-N 1 0 367.450 2.559 20 5 FFBDRO COC(=O)COc1cccc(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000788643799 1001830642 /nfs/dbraw/zinc/83/06/42/1001830642.db2.gz LGKSIXJOGQPHNW-LBPRGKRZSA-N 1 0 359.382 2.580 20 5 FFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC000774398406 1001896183 /nfs/dbraw/zinc/89/61/83/1001896183.db2.gz ICKQGNSZUAQQIQ-SJKOYZFVSA-N 1 0 361.373 2.774 20 5 FFBDRO COCC[N@H+](Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CC[C@@H](C)C1 ZINC000790476741 1002387143 /nfs/dbraw/zinc/38/71/43/1002387143.db2.gz CWGYHTKALOGZIR-RHSMWYFYSA-N 1 0 359.430 2.948 20 5 FFBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000791208340 1002618397 /nfs/dbraw/zinc/61/83/97/1002618397.db2.gz HIPICOKYZPVVDL-CHWSQXEVSA-N 1 0 366.437 2.650 20 5 FFBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000791299601 1002637900 /nfs/dbraw/zinc/63/79/00/1002637900.db2.gz CHQSHIBDXWVZKO-GOSISDBHSA-N 1 0 372.400 2.883 20 5 FFBDRO COc1ccc(C[C@H](C)[NH2+]C[C@]2(O)CCOc3ccccc32)c([N+](=O)[O-])c1 ZINC001170304457 1003092929 /nfs/dbraw/zinc/09/29/29/1003092929.db2.gz BZZHOLWBYTURMN-VBKZILBWSA-N 1 0 372.421 2.794 20 5 FFBDRO COc1ccc(C[C@@H](C)[NH2+][C@H](C(=O)N2CCCC2)C(C)C)c([N+](=O)[O-])c1 ZINC001170313025 1003104102 /nfs/dbraw/zinc/10/41/02/1003104102.db2.gz IXWCHLYYYQGACQ-KDOFPFPSSA-N 1 0 363.458 2.771 20 5 FFBDRO COC(=O)C[C@@H]([NH2+][C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])c1ccccn1 ZINC001170319670 1003108468 /nfs/dbraw/zinc/10/84/68/1003108468.db2.gz YLTCGFBFMABKBA-CXAGYDPISA-N 1 0 373.409 2.823 20 5 FFBDRO CC[C@H](C)[C@H]([NH2+][C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])C(=O)N(C)C ZINC001170327408 1003114507 /nfs/dbraw/zinc/11/45/07/1003114507.db2.gz QJAHCUZHBUCTTG-DCGLDWPTSA-N 1 0 351.447 2.627 20 5 FFBDRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170329869 1003116027 /nfs/dbraw/zinc/11/60/27/1003116027.db2.gz WGVXCQDYXHLOQT-BPLDGKMQSA-N 1 0 350.415 2.856 20 5 FFBDRO COC[C@H]1C[N@@H+]([C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])Cc2cn(C)nc21 ZINC001170341346 1003129320 /nfs/dbraw/zinc/12/93/20/1003129320.db2.gz PIXPYBFEHIAACG-CZUORRHYSA-N 1 0 374.441 2.514 20 5 FFBDRO CCNC(=O)OC1CC[NH+]([C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC001170351656 1003136828 /nfs/dbraw/zinc/13/68/28/1003136828.db2.gz GRTNUPRASVZLGP-ZDUSSCGKSA-N 1 0 365.430 2.745 20 5 FFBDRO O=C(NCC1CC[NH+](Cc2ccc3ccccc3c2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001001399902 1016782732 /nfs/dbraw/zinc/78/27/32/1016782732.db2.gz OGBMBMOYQVWGRL-WOJBJXKFSA-N 1 0 367.449 2.833 20 5 FFBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1ccc([N+](=O)[O-])cc1C(=O)NC1CC1 ZINC000804813940 1003858803 /nfs/dbraw/zinc/85/88/03/1003858803.db2.gz WIUWZMCVDNSNOH-CZUORRHYSA-N 1 0 358.442 2.550 20 5 FFBDRO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000804812903 1003860105 /nfs/dbraw/zinc/86/01/05/1003860105.db2.gz MKQZDQKRGJVWIW-TZMCWYRMSA-N 1 0 365.405 2.974 20 5 FFBDRO C[C@@H]([NH2+]CC(=O)Nc1ccc(C(=O)N(C)C)cc1)c1ccc([N+](=O)[O-])cc1 ZINC001197647572 1004301179 /nfs/dbraw/zinc/30/11/79/1004301179.db2.gz SIMWTFXLMILGQE-CYBMUJFWSA-N 1 0 370.409 2.586 20 5 FFBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000808192387 1004771231 /nfs/dbraw/zinc/77/12/31/1004771231.db2.gz RRVLJBIIMDNEAP-KXBFYZLASA-N 1 0 355.442 2.974 20 5 FFBDRO CN(C)C(=O)c1ccc(C[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])[nH]1 ZINC001201694310 1005259319 /nfs/dbraw/zinc/25/93/19/1005259319.db2.gz UBPBOUBIDPDSHF-UHFFFAOYSA-N 1 0 350.806 2.610 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCCN2CCc3ccccc3C2)cc1 ZINC000776277109 1005336894 /nfs/dbraw/zinc/33/68/94/1005336894.db2.gz NRNHFKJVVDFODY-HXUWFJFHSA-N 1 0 355.438 2.666 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CC2(c3ccccc3)CCOCC2)cc1 ZINC000776275660 1005341496 /nfs/dbraw/zinc/34/14/96/1005341496.db2.gz GQPOOPTWIDTWKR-LJQANCHMSA-N 1 0 356.422 2.966 20 5 FFBDRO C[NH+](C)CCOc1ccc(/C=C/C(=O)NCc2ccccc2[N+](=O)[O-])cc1 ZINC000776431111 1005670424 /nfs/dbraw/zinc/67/04/24/1005670424.db2.gz PRUSOSGZZBJPNA-FMIVXFBMSA-N 1 0 369.421 2.865 20 5 FFBDRO Cn1cc([N+](=O)[O-])cc1C(=O)O[C@H]1CC[N@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000776557936 1005928775 /nfs/dbraw/zinc/92/87/75/1005928775.db2.gz KWWKOAAFDSKELD-SFHVURJKSA-N 1 0 369.421 2.853 20 5 FFBDRO CCN(C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000776590287 1006003297 /nfs/dbraw/zinc/00/32/97/1006003297.db2.gz FUFDGSFEUKPJCR-MRXNPFEDSA-N 1 0 365.430 2.569 20 5 FFBDRO CC(C)([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C(=O)NCC1CCCCC1 ZINC000776597386 1006041259 /nfs/dbraw/zinc/04/12/59/1006041259.db2.gz KNJNNDGVOOKNKD-QGZVFWFLSA-N 1 0 363.458 2.693 20 5 FFBDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000852600952 1006099356 /nfs/dbraw/zinc/09/93/56/1006099356.db2.gz GGDVCIJMHWNGDA-OAHLLOKOSA-N 1 0 360.458 2.783 20 5 FFBDRO C[C@H]1CN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CCN1c1cc[nH+]cc1 ZINC000881632829 1006164403 /nfs/dbraw/zinc/16/44/03/1006164403.db2.gz RAGBQNLQAHMTPM-ZDUSSCGKSA-N 1 0 365.393 2.822 20 5 FFBDRO [NH3+]C[C@@H]1CCc2ccccc2N1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000852756186 1006169201 /nfs/dbraw/zinc/16/92/01/1006169201.db2.gz YEQHIEWUBHRHPQ-AWEZNQCLSA-N 1 0 374.828 2.967 20 5 FFBDRO COc1cc[nH+]c(N2CCN(c3cc(OC)c(C)cc3[N+](=O)[O-])CC2)c1 ZINC000853272338 1006356220 /nfs/dbraw/zinc/35/62/20/1006356220.db2.gz VOJJVEQKXKBRQF-UHFFFAOYSA-N 1 0 358.398 2.642 20 5 FFBDRO COc1cc(N2CC[C@H](OCC[NH+]3CCCCC3)C2)c([N+](=O)[O-])cc1C ZINC000853451728 1006393732 /nfs/dbraw/zinc/39/37/32/1006393732.db2.gz BTPOAXHFIJTGPN-INIZCTEOSA-N 1 0 363.458 2.993 20 5 FFBDRO O=[N+]([O-])c1cn(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)nc1-c1ccccn1 ZINC000853517492 1006422564 /nfs/dbraw/zinc/42/25/64/1006422564.db2.gz VEVMZJRHZJRNFH-QGPMSJSTSA-N 1 0 371.441 2.826 20 5 FFBDRO O=[N+]([O-])c1ccc2nc(N3CCC[C@H]([NH2+]C4CCOCC4)C3)ccc2c1 ZINC000882725407 1006490248 /nfs/dbraw/zinc/49/02/48/1006490248.db2.gz QZGBFBXNOULDCC-INIZCTEOSA-N 1 0 356.426 2.880 20 5 FFBDRO COc1cc(Cc2noc(C[C@H]3[NH2+]Cc4ccccc43)n2)ccc1[N+](=O)[O-] ZINC000854142626 1006704064 /nfs/dbraw/zinc/70/40/64/1006704064.db2.gz UPZUGVNGERRWIS-OAHLLOKOSA-N 1 0 366.377 2.964 20 5 FFBDRO C[C@H]([NH2+][C@H]1CC(=O)N(c2ccccc2F)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815628352 1006720310 /nfs/dbraw/zinc/72/03/10/1006720310.db2.gz YJMZQNKEFICCLV-AAEUAGOBSA-N 1 0 358.373 2.772 20 5 FFBDRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000854225156 1006731371 /nfs/dbraw/zinc/73/13/71/1006731371.db2.gz XAASCLLCYOMGTK-IXDGSTSKSA-N 1 0 370.453 2.982 20 5 FFBDRO Cc1cc(S(=O)(=O)NCC(C)(C)C[NH+]2CCCC2)c(C)cc1[N+](=O)[O-] ZINC001189878490 1007319994 /nfs/dbraw/zinc/31/99/94/1007319994.db2.gz BEUHBSSZGDFRMV-UHFFFAOYSA-N 1 0 369.487 2.612 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)c1C ZINC000884340563 1007384216 /nfs/dbraw/zinc/38/42/16/1007384216.db2.gz KXACVLJBIUMPRK-QAPCUYQASA-N 1 0 361.442 2.570 20 5 FFBDRO C[C@H](NC(=O)N1CCN(c2cc[nH+]cc2)C[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000884378634 1007401567 /nfs/dbraw/zinc/40/15/67/1007401567.db2.gz YTXNKZDRZKRLEH-CABCVRRESA-N 1 0 369.425 2.971 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c1C ZINC000884382477 1007403498 /nfs/dbraw/zinc/40/34/98/1007403498.db2.gz KCFKDWGABQPBFF-YQQAZPJKSA-N 1 0 361.442 2.570 20 5 FFBDRO C/C(=C\C(=O)N1CCO[C@H](CCC[NH+](C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000856429359 1007822343 /nfs/dbraw/zinc/82/23/43/1007822343.db2.gz JOKXDKLPHYFCKM-FDPSAONLSA-N 1 0 361.442 2.567 20 5 FFBDRO C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C[C@@H]1C[NH3+] ZINC000818008814 1007852135 /nfs/dbraw/zinc/85/21/35/1007852135.db2.gz JDPHDSKVWXKPBS-CABCVRRESA-N 1 0 360.458 2.642 20 5 FFBDRO Cc1cc(F)cc(C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000818014952 1007855266 /nfs/dbraw/zinc/85/52/66/1007855266.db2.gz FFLSIZODBAYECF-GOEBONIOSA-N 1 0 361.348 2.748 20 5 FFBDRO CCc1noc(C[C@]2(O)CCC[N@@H+]([C@H](C)c3ccccc3[N+](=O)[O-])C2)n1 ZINC000856673832 1007942595 /nfs/dbraw/zinc/94/25/95/1007942595.db2.gz FDBZTELEWFVFQI-FZKQIMNGSA-N 1 0 360.414 2.671 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]Cc2ccc(OCC(F)(F)F)nc2)c1 ZINC000818957369 1007994831 /nfs/dbraw/zinc/99/48/31/1007994831.db2.gz UYGIGPPRUSTTQU-CQSZACIVSA-N 1 0 371.315 2.754 20 5 FFBDRO COc1ccc(CCC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000818974575 1008014188 /nfs/dbraw/zinc/01/41/88/1008014188.db2.gz AZQWMWVSQXUVDI-QGZVFWFLSA-N 1 0 360.410 2.868 20 5 FFBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000819135807 1008039500 /nfs/dbraw/zinc/03/95/00/1008039500.db2.gz FYICECFRKXAFOE-DZGCQCFKSA-N 1 0 367.446 2.782 20 5 FFBDRO Cc1ccc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)c(O[C@H]2CCOC2)c1 ZINC000819153524 1008045271 /nfs/dbraw/zinc/04/52/71/1008045271.db2.gz HCRUHTNUSTXBAB-OALUTQOASA-N 1 0 372.421 2.894 20 5 FFBDRO Cn1nccc1[C@@H](O)C1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000857061968 1008048937 /nfs/dbraw/zinc/04/89/37/1008048937.db2.gz XENGAKAPHQVQQI-OQBYNLHGSA-N 1 0 356.426 2.787 20 5 FFBDRO CN(C)C(=O)Nc1ccc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000819278787 1008098304 /nfs/dbraw/zinc/09/83/04/1008098304.db2.gz IGWBTJYHGGYROS-QGZVFWFLSA-N 1 0 358.398 2.512 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@H]2CCN(c3ccccc3F)C2)c1 ZINC000819325507 1008099105 /nfs/dbraw/zinc/09/91/05/1008099105.db2.gz FLILWJFFWDUQTL-AUUYWEPGSA-N 1 0 359.401 2.883 20 5 FFBDRO Cc1cc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc(N2CCCC2)n1 ZINC000819322079 1008112969 /nfs/dbraw/zinc/11/29/69/1008112969.db2.gz OHMZUJYYWVNANM-SFHVURJKSA-N 1 0 356.426 2.722 20 5 FFBDRO Cc1ccc(NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)c(OCC[NH+](C)C)c1 ZINC000819445717 1008134822 /nfs/dbraw/zinc/13/48/22/1008134822.db2.gz TYGCYVBQQQIGMN-GOSISDBHSA-N 1 0 359.426 2.989 20 5 FFBDRO O=C(N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857763057 1008203970 /nfs/dbraw/zinc/20/39/70/1008203970.db2.gz NNUSYSVKRYEVGN-DOMZBBRYSA-N 1 0 369.368 2.557 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000820078991 1008281770 /nfs/dbraw/zinc/28/17/70/1008281770.db2.gz BOKSWSWEFUJZOF-DZFIZOCASA-N 1 0 351.406 2.763 20 5 FFBDRO Cc1ccc(O[C@H]2CC[N@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)nc1 ZINC000858041144 1008286660 /nfs/dbraw/zinc/28/66/60/1008286660.db2.gz IAURLDABLNMSTM-HNNXBMFYSA-N 1 0 370.409 2.780 20 5 FFBDRO Cc1c(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000116129230 1008369199 /nfs/dbraw/zinc/36/91/99/1008369199.db2.gz YZFMBNVBZXDIFB-HNNXBMFYSA-N 1 0 366.418 2.908 20 5 FFBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC001136379081 1008378505 /nfs/dbraw/zinc/37/85/05/1008378505.db2.gz UHAYSLSXGLAFTE-TUAOUCFPSA-N 1 0 368.865 2.927 20 5 FFBDRO CCCNC(=O)OC[C@H]1CCCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000805776595 1008515182 /nfs/dbraw/zinc/51/51/82/1008515182.db2.gz RQTHKJPJWGSHCI-MRXNPFEDSA-N 1 0 365.430 2.964 20 5 FFBDRO COc1cc2c(c(OC)c1OC)CC[N@H+](Cc1cccnc1[N+](=O)[O-])CC2 ZINC000886046761 1008523773 /nfs/dbraw/zinc/52/37/73/1008523773.db2.gz PBFMCTQCPSPRRW-UHFFFAOYSA-N 1 0 373.409 2.616 20 5 FFBDRO O=C(c1cc([N+](=O)[O-])cc2ccccc21)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000859911483 1008719704 /nfs/dbraw/zinc/71/97/04/1008719704.db2.gz JPRAAPMMTRJRAD-OAHLLOKOSA-N 1 0 369.421 2.542 20 5 FFBDRO C[C@H]1CN(C(=O)CCOc2ccccc2[N+](=O)[O-])CC[N@@H+]1C1CCCC1 ZINC001177708399 1008724692 /nfs/dbraw/zinc/72/46/92/1008724692.db2.gz PAZLSWXBKVZDHT-HNNXBMFYSA-N 1 0 361.442 2.839 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@@H](O)Cc3ccccc3F)CC2)cc1 ZINC000886671660 1008807759 /nfs/dbraw/zinc/80/77/59/1008807759.db2.gz AQWXOWTWINMOBW-IBGZPJMESA-N 1 0 373.428 2.896 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@@H](O)Cc3ccc(F)cc3)CC2)cc1 ZINC000886678718 1008815422 /nfs/dbraw/zinc/81/54/22/1008815422.db2.gz JLTNWWBSDYVLPY-FQEVSTJZSA-N 1 0 373.428 2.896 20 5 FFBDRO Cc1c(NC(=O)[C@@H](C)N2CCCC[C@@]3(CC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000886870163 1008908815 /nfs/dbraw/zinc/90/88/15/1008908815.db2.gz RBSBYZYGIDZTKO-BEFAXECRSA-N 1 0 360.458 2.696 20 5 FFBDRO O=C(NCCCCCC[NH2+]Cc1ccc(C2CC2)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001178464487 1008999321 /nfs/dbraw/zinc/99/93/21/1008999321.db2.gz TZKHGVIMABCBMZ-RTBURBONSA-N 1 0 359.470 2.995 20 5 FFBDRO Nc1ccc(NC(=O)NC[C@H]2CC[N@@H+]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000823913831 1009267544 /nfs/dbraw/zinc/26/75/44/1009267544.db2.gz FFLHCWQBRJHDEZ-OAHLLOKOSA-N 1 0 355.398 2.573 20 5 FFBDRO O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC([NH2+]C2CCC2)CC1 ZINC000889829515 1010143066 /nfs/dbraw/zinc/14/30/66/1010143066.db2.gz QYGUPWFIBFZGJT-UHFFFAOYSA-N 1 0 369.368 2.943 20 5 FFBDRO CC[C@@H]1CCCC[N@@H+]1CCN1C(=O)N[C@](C)(c2cccc([N+](=O)[O-])c2)C1=O ZINC000863504689 1010231505 /nfs/dbraw/zinc/23/15/05/1010231505.db2.gz XKSFXMWPEZTFFY-DNVCBOLYSA-N 1 0 374.441 2.626 20 5 FFBDRO CC(C)[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@H](O)c1ccccc1 ZINC000794601878 1010435049 /nfs/dbraw/zinc/43/50/49/1010435049.db2.gz GISJTUXWMSBBIH-LSTHTHJFSA-N 1 0 374.437 2.682 20 5 FFBDRO C[N@H+](CCCNC(=O)Cc1cccc(F)c1[N+](=O)[O-])Cc1ccccc1 ZINC000864615361 1010528669 /nfs/dbraw/zinc/52/86/69/1010528669.db2.gz AIEUPGZSYZZXQR-UHFFFAOYSA-N 1 0 359.401 2.915 20 5 FFBDRO O=[N+]([O-])c1ccc2nccc(NC3CC[NH+](C[C@H]4CCCO4)CC3)c2c1 ZINC000865440128 1010786926 /nfs/dbraw/zinc/78/69/26/1010786926.db2.gz JEXMRHQFJJSNQS-MRXNPFEDSA-N 1 0 356.426 2.620 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+]C(C)(C)[C@@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000865744311 1010853601 /nfs/dbraw/zinc/85/36/01/1010853601.db2.gz SDXOSSNAWSNXLZ-INIZCTEOSA-N 1 0 366.414 2.584 20 5 FFBDRO CN1CC[C@H]([NH+]2CCC(Nc3ccc([N+](=O)[O-])cc3C(F)F)CC2)C1=O ZINC000865886960 1010881949 /nfs/dbraw/zinc/88/19/49/1010881949.db2.gz PAZISPHQFIEPGS-HNNXBMFYSA-N 1 0 368.384 2.639 20 5 FFBDRO C[NH+]1CCC2(CCN(c3cc4nc[nH]c(=O)c4cc3[N+](=O)[O-])CC2)CC1 ZINC000866054528 1010917385 /nfs/dbraw/zinc/91/73/85/1010917385.db2.gz FAFXGFKUZJGQAN-UHFFFAOYSA-N 1 0 357.414 2.556 20 5 FFBDRO CN1CC[NH+](C2CCN(c3ccc(C(F)(F)F)c([N+](=O)[O-])c3)CC2)CC1 ZINC000866212975 1010952941 /nfs/dbraw/zinc/95/29/41/1010952941.db2.gz LVKZBSLGZCHVIA-UHFFFAOYSA-N 1 0 372.391 2.830 20 5 FFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1C[C@H]1C1CCOCC1 ZINC000866538763 1011013444 /nfs/dbraw/zinc/01/34/44/1011013444.db2.gz ZQEBXWGMSASQJQ-XUWXXGDYSA-N 1 0 361.442 2.964 20 5 FFBDRO C[C@@]([NH3+])(C(=O)N[C@@H](Cc1ccccc1)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000867944878 1011127927 /nfs/dbraw/zinc/12/79/27/1011127927.db2.gz KNSSJDJXCYWYOW-ICSRJNTNSA-N 1 0 353.422 2.906 20 5 FFBDRO C[C@](N)(C(=O)N1CCCN(c2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000867958009 1011131507 /nfs/dbraw/zinc/13/15/07/1011131507.db2.gz FRYNQVJPZYXCEZ-HXUWFJFHSA-N 1 0 368.437 2.508 20 5 FFBDRO C[NH+](C)C[C@@H](NC(=O)Cc1cccc(F)c1[N+](=O)[O-])c1ccc(F)cc1 ZINC000868346582 1011258608 /nfs/dbraw/zinc/25/86/08/1011258608.db2.gz FCWBKDMLYMYOOM-MRXNPFEDSA-N 1 0 363.364 2.835 20 5 FFBDRO CCC(=O)c1ccc(N2CCN(c3cc(OC)cc[nH+]3)CC2)c([N+](=O)[O-])c1 ZINC000795087988 1011844568 /nfs/dbraw/zinc/84/45/68/1011844568.db2.gz ZFPRECUKDSDPHU-UHFFFAOYSA-N 1 0 370.409 2.918 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@H]1CCN(C3CCOCC3)C1)CC2 ZINC001172902768 1012075140 /nfs/dbraw/zinc/07/51/40/1012075140.db2.gz CBWOACRHZPDUPY-MSOLQXFVSA-N 1 0 359.470 2.685 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@H]1CCCN(c3ncccn3)C1)CC2 ZINC001172908834 1012079573 /nfs/dbraw/zinc/07/95/73/1012079573.db2.gz ZQYTZJCMQYLKGE-ROUUACIJSA-N 1 0 367.453 2.891 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1C[C@@H](OCC3CC3)[C@H]3COC[C@H]31)CC2 ZINC001172908127 1012081320 /nfs/dbraw/zinc/08/13/20/1012081320.db2.gz AYXOIYWZMCWSCE-MJUUVYJYSA-N 1 0 372.465 2.968 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1CC[C@H](Oc3ncccn3)C1)CC2 ZINC001172914095 1012097961 /nfs/dbraw/zinc/09/79/61/1012097961.db2.gz ZBJPWDCENSRFSD-WMZOPIPTSA-N 1 0 354.410 2.786 20 5 FFBDRO CN1C(=O)CCC12CC[NH+]([C@@H]1CCc3ccc([N+](=O)[O-])cc3CC1)CC2 ZINC001172913462 1012124860 /nfs/dbraw/zinc/12/48/60/1012124860.db2.gz QSWBYYWCQMCMIP-QGZVFWFLSA-N 1 0 357.454 2.929 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CC[C@H](Oc3ncc(F)cn3)C1)CC2 ZINC001172913079 1012126365 /nfs/dbraw/zinc/12/63/65/1012126365.db2.gz OTLFKBLWCWFPRJ-AEFFLSMTSA-N 1 0 372.400 2.925 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH2+]CC3CCOCC3)CC2)c(F)c1 ZINC001173005256 1012173944 /nfs/dbraw/zinc/17/39/44/1012173944.db2.gz AGVUIXPMDCJFGD-UHFFFAOYSA-N 1 0 355.385 2.858 20 5 FFBDRO C[C@H]1OCC[C@H]1C[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173006598 1012174331 /nfs/dbraw/zinc/17/43/31/1012174331.db2.gz XMOABTMJZOXDGB-NEPJUHHUSA-N 1 0 355.385 2.856 20 5 FFBDRO C[N@@H+]1CCC[C@@H]1CC[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173009129 1012177241 /nfs/dbraw/zinc/17/72/41/1012177241.db2.gz SECLMNOHGAPOQF-CQSZACIVSA-N 1 0 368.428 2.916 20 5 FFBDRO CN1CCC[C@@](C)([NH2+]C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)C1 ZINC001173013591 1012184278 /nfs/dbraw/zinc/18/42/78/1012184278.db2.gz YBRFDXKGWJWOBB-GOSISDBHSA-N 1 0 368.428 2.916 20 5 FFBDRO C[N@H+](CC1(C)COC1)C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173016064 1012186199 /nfs/dbraw/zinc/18/61/99/1012186199.db2.gz AQBDUNYIVRGTDI-UHFFFAOYSA-N 1 0 355.385 2.810 20 5 FFBDRO COC(=O)C1(C[NH2+][C@@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])CCC1 ZINC001173180331 1012325282 /nfs/dbraw/zinc/32/52/82/1012325282.db2.gz VFZALUYVLZGFMY-NSHDSACASA-N 1 0 354.378 2.606 20 5 FFBDRO COC(=O)[C@H]1C[N@@H+]([C@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])CC12CC2 ZINC001173191622 1012331833 /nfs/dbraw/zinc/33/18/33/1012331833.db2.gz DVVJDUONKJPEBD-DGCLKSJQSA-N 1 0 366.389 2.559 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CC[NH+](CC3CC3)CC2)c1F ZINC001173190969 1012332208 /nfs/dbraw/zinc/33/22/08/1012332208.db2.gz YORMTAHIBDCBIW-ZDUSSCGKSA-N 1 0 351.422 2.701 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CCCC3(C2)OCCO3)c1F ZINC001173195709 1012339419 /nfs/dbraw/zinc/33/94/19/1012339419.db2.gz IWIMPDRLXUMUEB-GFCCVEGCSA-N 1 0 354.378 2.512 20 5 FFBDRO Cc1ccnc(N([C@H](C)Cc2ccc([N+](=O)[O-])cc2)C2CC[NH2+]CC2)n1 ZINC001173232488 1012364036 /nfs/dbraw/zinc/36/40/36/1012364036.db2.gz BQERTUKJOYVFSC-OAHLLOKOSA-N 1 0 355.442 2.883 20 5 FFBDRO CN1CC[NH+](CC2CN(C(=O)c3cc4ccccc4c4cccnc34)C2)CC1 ZINC000647825538 1012600910 /nfs/dbraw/zinc/60/09/10/1012600910.db2.gz ZVBNRFAKABCCBW-UHFFFAOYSA-N 1 0 374.488 2.707 20 5 FFBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)[C@@](C)(N)c2cccc([N+](=O)[O-])c2)C1 ZINC000870920330 1012636351 /nfs/dbraw/zinc/63/63/51/1012636351.db2.gz CTFQDUONBQXZMU-ZDUSMZPESA-N 1 0 374.485 2.633 20 5 FFBDRO Cc1ccc(NCC[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)nc1 ZINC000927072487 1018347172 /nfs/dbraw/zinc/34/71/72/1018347172.db2.gz CIXBAROZOCZXJQ-UHFFFAOYSA-N 1 0 355.442 2.969 20 5 FFBDRO C[C@H]1[C@H](NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000928436244 1018978916 /nfs/dbraw/zinc/97/89/16/1018978916.db2.gz BDTMIPRRJYZQNH-KBXCAEBGSA-N 1 0 369.421 2.996 20 5 FFBDRO CN(C(=O)C[NH2+][C@@H]1CCc2ccccc2OC1)c1ccc([N+](=O)[O-])cc1 ZINC000801571448 1019126917 /nfs/dbraw/zinc/12/69/17/1019126917.db2.gz TUPRTQZWIUENIE-OAHLLOKOSA-N 1 0 355.394 2.541 20 5 FFBDRO O=C1CN(C[N@@H+]2CCC[C@@H]2C2CCCC2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000726587526 1020490236 /nfs/dbraw/zinc/49/02/36/1020490236.db2.gz SGEOECGKAWNWOF-QGZVFWFLSA-N 1 0 372.425 2.976 20 5 FFBDRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NC[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000900738987 1020621092 /nfs/dbraw/zinc/62/10/92/1020621092.db2.gz KZLYRGGIXVLGRX-KSSFIOAISA-N 1 0 363.458 2.608 20 5 FFBDRO CCOc1cc(C[N@@H+]2CCC[C@@H]([C@@]3(C)COC(=O)N3)C2)ccc1[N+](=O)[O-] ZINC000932018129 1020669000 /nfs/dbraw/zinc/66/90/00/1020669000.db2.gz ACKAJDCFKUINGD-RDTXWAMCSA-N 1 0 363.414 2.704 20 5 FFBDRO O=[N+]([O-])c1cc(F)cc(Br)c1O[C@@H]1C[NH2+]CCC[C@H]1F ZINC001217979249 1032928820 /nfs/dbraw/zinc/92/88/20/1032928820.db2.gz HCUUZARDDZKORS-MWLCHTKSSA-N 1 0 351.147 2.965 20 5 FFBDRO O=[N+]([O-])c1cc(O[C@H]2C[NH2+]CCC[C@H]2F)c(F)cc1Br ZINC001217978251 1032928871 /nfs/dbraw/zinc/92/88/71/1032928871.db2.gz AUPMGMRWMKROJA-PELKAZGASA-N 1 0 351.147 2.965 20 5 FFBDRO Cn1cnc2cc(C[NH2+][C@@H]3CCCC[C@H]3n3ccc([N+](=O)[O-])n3)ccc21 ZINC000903203571 1020737300 /nfs/dbraw/zinc/73/73/00/1020737300.db2.gz BYHVVTVNQUISAY-RHSMWYFYSA-N 1 0 354.414 2.952 20 5 FFBDRO O=[N+]([O-])c1cc(F)cc(Br)c1O[C@H]1C[NH2+]CCC[C@@H]1F ZINC001217979250 1032929970 /nfs/dbraw/zinc/92/99/70/1032929970.db2.gz HCUUZARDDZKORS-ONGXEEELSA-N 1 0 351.147 2.965 20 5 FFBDRO O=[N+]([O-])c1ccc(I)cc1O[C@@H]1CCCC[NH2+]C1 ZINC001217970047 1032925105 /nfs/dbraw/zinc/92/51/05/1032925105.db2.gz HIJUWHROZPAMHZ-SNVBAGLBSA-N 1 0 362.167 2.720 20 5 FFBDRO C[C@](O)(C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)c1cccc(F)c1 ZINC000903312029 1020787556 /nfs/dbraw/zinc/78/75/56/1020787556.db2.gz XIXOFMASEGOUGV-BQFCYCMXSA-N 1 0 362.405 2.911 20 5 FFBDRO O=[N+]([O-])c1ccc(O[C@H]2CCC[NH2+]CC2)cc1I ZINC001217993985 1032937573 /nfs/dbraw/zinc/93/75/73/1032937573.db2.gz FEVUYORTSOPUGA-VIFPVBQESA-N 1 0 362.167 2.720 20 5 FFBDRO C[C@@H]1C[NH2+]CCC[C@@H]1Oc1cc(O)cc2oc3c(O)ccc(O)c3c(=O)c12 ZINC001217995927 1032939353 /nfs/dbraw/zinc/93/93/53/1032939353.db2.gz ZPLNITLTBOVDJL-YGRLFVJLSA-N 1 0 371.389 2.830 20 5 FFBDRO C[N@@H+](Cc1ccc(C(=O)NC2CC2)cc1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000749670799 1021018911 /nfs/dbraw/zinc/01/89/11/1021018911.db2.gz LNXPNXCULRMHFW-LJQANCHMSA-N 1 0 369.421 2.652 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CCC(N2CCCOC2=O)CC1 ZINC000933619180 1021047361 /nfs/dbraw/zinc/04/73/61/1021047361.db2.gz NALAIHJPQZYTRU-UHFFFAOYSA-N 1 0 363.414 2.800 20 5 FFBDRO CCOC(=O)N1CCC([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000778224947 1021149490 /nfs/dbraw/zinc/14/94/90/1021149490.db2.gz XGXBPGQLRPXWMC-CYBMUJFWSA-N 1 0 365.430 2.950 20 5 FFBDRO C[C@@H]1C[C@@H](Oc2cccc(I)c2[N+](=O)[O-])CC[NH2+]1 ZINC001218060458 1032973284 /nfs/dbraw/zinc/97/32/84/1032973284.db2.gz MQROZAMSZGDFMR-BDAKNGLRSA-N 1 0 362.167 2.719 20 5 FFBDRO C[NH+]1CCC([C@@H]2CCN(C(=O)[C@H]3C[C@H]3c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000935087716 1021560081 /nfs/dbraw/zinc/56/00/81/1021560081.db2.gz XGQAAWYNYWMIBH-NEWSRXKRSA-N 1 0 357.454 2.889 20 5 FFBDRO O=[N+]([O-])c1cc(O[C@H]2CC[C@]23CC[NH2+]C3)ccc1I ZINC001218116382 1033002419 /nfs/dbraw/zinc/00/24/19/1033002419.db2.gz JNLWLHYXKAPJRG-QWHCGFSZSA-N 1 0 374.178 2.720 20 5 FFBDRO C[C@H](C1CC1)[N@H+](CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC000042123208 1022140331 /nfs/dbraw/zinc/14/03/31/1022140331.db2.gz VETMQCRTIJCLAJ-OAHLLOKOSA-N 1 0 372.469 2.506 20 5 FFBDRO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000779060803 1022736420 /nfs/dbraw/zinc/73/64/20/1022736420.db2.gz FUSXFMJBDPRARE-HOCLYGCPSA-N 1 0 365.430 2.617 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000751065842 1022753831 /nfs/dbraw/zinc/75/38/31/1022753831.db2.gz XEPPVGLDZTXTQJ-UHFFFAOYSA-N 1 0 354.410 2.907 20 5 FFBDRO Cn1c2ccccc2c(NC2CC[NH+](CC3CC3)CC2)c([N+](=O)[O-])c1=O ZINC001119936025 1023170726 /nfs/dbraw/zinc/17/07/26/1023170726.db2.gz NRPTZKZHCYPFRR-UHFFFAOYSA-N 1 0 356.426 2.733 20 5 FFBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C[C@]1(O)CCc2ccccc21 ZINC000829358824 1033118727 /nfs/dbraw/zinc/11/87/27/1033118727.db2.gz NMASCTLBFSCVSS-HXUWFJFHSA-N 1 0 369.421 2.689 20 5 FFBDRO COc1ccc(C[C@](C)([NH3+])CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000754674237 1023503194 /nfs/dbraw/zinc/50/31/94/1023503194.db2.gz YCZSUOSIVUCKEC-KRWDZBQOSA-N 1 0 360.370 2.884 20 5 FFBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)[C@@H]3CCC[C@@H]4C[C@@H]43)c2)CC1 ZINC001121161556 1023631786 /nfs/dbraw/zinc/63/17/86/1023631786.db2.gz YQPARZXBQIDTCE-BMFZPTHFSA-N 1 0 358.442 2.721 20 5 FFBDRO COc1ccc(NC(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC001123372477 1023765344 /nfs/dbraw/zinc/76/53/44/1023765344.db2.gz NXTNICOXDQOVLG-LBPRGKRZSA-N 1 0 350.419 2.797 20 5 FFBDRO O=[N+]([O-])c1ccc(I)c(O[C@@H]2CC[C@@H]3C[NH2+]C[C@H]23)c1 ZINC001218460828 1033166213 /nfs/dbraw/zinc/16/62/13/1033166213.db2.gz NZVALLLYMCDNCZ-UBHAPETDSA-N 1 0 374.178 2.576 20 5 FFBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000191663498 1023889739 /nfs/dbraw/zinc/88/97/39/1023889739.db2.gz NUKGEZFAKAHBBW-INIZCTEOSA-N 1 0 354.410 2.571 20 5 FFBDRO CCn1c([C@@H](C)[N+](=O)[O-])nnc1N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC001121700866 1023934725 /nfs/dbraw/zinc/93/47/25/1023934725.db2.gz ZVSKEEFDUHQURK-HZPDHXFCSA-N 1 0 372.473 2.737 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H]1CCO[C@H]1c1ccccc1 ZINC000191938024 1023940789 /nfs/dbraw/zinc/94/07/89/1023940789.db2.gz RJHWSRLWQYYBKB-APWZRJJASA-N 1 0 355.394 2.962 20 5 FFBDRO Cc1cc(F)cc(C(=O)N2CCC(OCCC[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000758509525 1024150051 /nfs/dbraw/zinc/15/00/51/1024150051.db2.gz GFFWUYWHSQFRSB-UHFFFAOYSA-N 1 0 367.421 2.615 20 5 FFBDRO Cc1csc(Sc2ccc(C(=O)NOC[C@@H](C)[NH3+])cc2[N+](=O)[O-])n1 ZINC001122102854 1024338885 /nfs/dbraw/zinc/33/88/85/1024338885.db2.gz ZSVRCONUAJBWJV-MRVPVSSYSA-N 1 0 368.440 2.520 20 5 FFBDRO O=C(COc1cccc([N+](=O)[O-])c1)N1C[C@H]2CCC[N@@H+]2Cc2ccccc21 ZINC001125161741 1024421226 /nfs/dbraw/zinc/42/12/26/1024421226.db2.gz GCHLMNHGSFYHAY-QGZVFWFLSA-N 1 0 367.405 2.985 20 5 FFBDRO CC(C)[N@@H+]1CCCC[C@@H]1COC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000837514900 1025865161 /nfs/dbraw/zinc/86/51/61/1025865161.db2.gz NONSHXQWRDYNFG-OAHLLOKOSA-N 1 0 364.398 2.592 20 5 FFBDRO CC(C)(C)c1ccc(C(=O)O[C@H]2C[C@@H](N3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000838912953 1026535444 /nfs/dbraw/zinc/53/54/44/1026535444.db2.gz RTDNXLAVWVZBDG-GASCZTMLSA-N 1 0 362.426 2.912 20 5 FFBDRO CC(C)(C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])[C@H]1COCC12OCCO2 ZINC000839177118 1026612211 /nfs/dbraw/zinc/61/22/11/1026612211.db2.gz VKIDIGYRCWJPKK-QQOXCAACSA-N 1 0 362.426 2.613 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2ncn(C[N@H+]3CCCC[C@@H]3[C@H]3CCC[C@H]3O)n2)c1 ZINC000840114436 1026961649 /nfs/dbraw/zinc/96/16/49/1026961649.db2.gz IDYXXGVHKPOWCI-KZNAEPCWSA-N 1 0 371.441 2.826 20 5 FFBDRO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1NCC12CC[NH+](CC1)CC2 ZINC001158824269 1027150841 /nfs/dbraw/zinc/15/08/41/1027150841.db2.gz MMOVSUIJTWMXRD-UHFFFAOYSA-N 1 0 368.821 2.718 20 5 FFBDRO COC(=O)c1ccnc(-n2c3ccccc3c3c2C[C@H]([NH3+])CC3)c1[N+](=O)[O-] ZINC001159950541 1027542353 /nfs/dbraw/zinc/54/23/53/1027542353.db2.gz XZPOWJKGBCLCDS-LLVKDONJSA-N 1 0 366.377 2.536 20 5 FFBDRO [NH3+]C[C@H]1COc2ccccc2N1C(F)(F)c1cc([N+](=O)[O-])cnc1Cl ZINC001160200354 1027634794 /nfs/dbraw/zinc/63/47/94/1027634794.db2.gz OUQKNFBKHHTVRS-JTQLQIEISA-N 1 0 370.743 2.919 20 5 FFBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000795707494 1027893813 /nfs/dbraw/zinc/89/38/13/1027893813.db2.gz NXEZIYZVJRPBET-BEFAXECRSA-N 1 0 355.442 2.974 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(NCC2CC[NH+](CC3CCC3)CC2)c1 ZINC001161233905 1028084448 /nfs/dbraw/zinc/08/44/48/1028084448.db2.gz IKMRCWNECVNGJF-UHFFFAOYSA-N 1 0 354.838 2.806 20 5 FFBDRO O=[N+]([O-])c1c[nH]c2ccc(NCC3CC[NH+](C4CCOCC4)CC3)nc21 ZINC001161236375 1028086461 /nfs/dbraw/zinc/08/64/61/1028086461.db2.gz IXOXEJOBXZVXLY-UHFFFAOYSA-N 1 0 359.430 2.774 20 5 FFBDRO C[NH+](C)CC(=O)N[C@H]1CC[C@H](Nc2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC001161667940 1028273409 /nfs/dbraw/zinc/27/34/09/1028273409.db2.gz SUAYZZQJFZNNPD-SHTZXODSSA-N 1 0 371.441 2.544 20 5 FFBDRO Cc1cc(NC[C@H]2CCC[NH2+]C[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001155028702 1028552086 /nfs/dbraw/zinc/55/20/86/1028552086.db2.gz BTDNWNNAYQXWSH-XJKSGUPXSA-N 1 0 355.442 2.830 20 5 FFBDRO CCOC1(OCC)CC[NH2+]C[C@H]1Nc1ccc2cccc([N+](=O)[O-])c2n1 ZINC001155227261 1028635275 /nfs/dbraw/zinc/63/52/75/1028635275.db2.gz KWAHEDKSXSLFHR-OAHLLOKOSA-N 1 0 360.414 2.686 20 5 FFBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N2C[C@@H]([NH3+])Cc3ccccc32)n1 ZINC001155297435 1028663831 /nfs/dbraw/zinc/66/38/31/1028663831.db2.gz CTXGZMYYOUOKAA-VIFPVBQESA-N 1 0 351.819 2.782 20 5 FFBDRO Cn1cc([N+](=O)[O-])c(C(=O)OCC2(C)CC[NH+](Cc3ccccc3)CC2)n1 ZINC000780407860 1028683528 /nfs/dbraw/zinc/68/35/28/1028683528.db2.gz YUACHELCUGIGPX-UHFFFAOYSA-N 1 0 372.425 2.787 20 5 FFBDRO Cc1ccc2c(c1)[C@H](Nc1cc([N+](=O)[O-])c(=O)n(C)c1)CC21CC[NH2+]CC1 ZINC001163032626 1028767447 /nfs/dbraw/zinc/76/74/47/1028767447.db2.gz XIXYGXIKCYGSNS-QGZVFWFLSA-N 1 0 368.437 2.780 20 5 FFBDRO C[C@@H](CN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000780763775 1028798255 /nfs/dbraw/zinc/79/82/55/1028798255.db2.gz OETHTRVLMBGZPI-MAUKXSAKSA-N 1 0 357.458 2.882 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)c(Cl)nc1NC[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001155593122 1028804445 /nfs/dbraw/zinc/80/44/45/1028804445.db2.gz XSIDFHVSHYPXLD-XPTSAGLGSA-N 1 0 361.229 2.867 20 5 FFBDRO NC1=CC=C(C2CCN(c3ccc4c(cccc4[N+](=O)[O-])n3)CC2)[NH2+]C1 ZINC001163131251 1028815866 /nfs/dbraw/zinc/81/58/66/1028815866.db2.gz QOCLULOXSDKTMG-UHFFFAOYSA-N 1 0 351.410 2.689 20 5 FFBDRO COC(=O)c1ccc([C@H]([NH3+])CNc2cc(Cl)cc([N+](=O)[O-])n2)cc1 ZINC001163463448 1028937567 /nfs/dbraw/zinc/93/75/67/1028937567.db2.gz YXDZUUAMSJHFCE-GFCCVEGCSA-N 1 0 350.762 2.542 20 5 FFBDRO C[C@@H]1[C@@H](NC(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC001155894203 1028963204 /nfs/dbraw/zinc/96/32/04/1028963204.db2.gz SHDSLIHJCBPEPE-DLTWYDFYSA-N 1 0 374.485 2.900 20 5 FFBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1NCC1C[NH+](Cc2ccccc2)C1 ZINC001156399037 1029182387 /nfs/dbraw/zinc/18/23/87/1029182387.db2.gz NWWDZOZVPJJEQL-UHFFFAOYSA-N 1 0 370.409 2.710 20 5 FFBDRO [NH3+][C@H]1CCN(c2cnc(Cl)nc2Sc2ccc([N+](=O)[O-])cc2)C1 ZINC001164281077 1029231378 /nfs/dbraw/zinc/23/13/78/1029231378.db2.gz QJLDPZDUAVITHS-VIFPVBQESA-N 1 0 351.819 2.727 20 5 FFBDRO COC(=O)C1(Nc2cc(Cl)nc3ccc([N+](=O)[O-])cc32)CC[NH2+]CC1 ZINC001156538864 1029238060 /nfs/dbraw/zinc/23/80/60/1029238060.db2.gz KHFAMVFTQSJADX-UHFFFAOYSA-N 1 0 364.789 2.504 20 5 FFBDRO O=[N+]([O-])c1cc[n+]([O-])cc1N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164492479 1029297946 /nfs/dbraw/zinc/29/79/46/1029297946.db2.gz LOXPPCYMPOCDBD-YESZJQIVSA-N 1 0 354.410 2.551 20 5 FFBDRO CC(C)(C)OC(=O)[C@H](CCCC[NH3+])Nc1cc(Cl)cc([N+](=O)[O-])n1 ZINC001157166613 1029489318 /nfs/dbraw/zinc/48/93/18/1029489318.db2.gz QIPOJABLTUKXNU-NSHDSACASA-N 1 0 358.826 2.894 20 5 FFBDRO CC1(C)CC(NC(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CC(C)(C)[NH2+]1 ZINC000782112436 1029574853 /nfs/dbraw/zinc/57/48/53/1029574853.db2.gz QUUDSRLFJAWFJZ-MRXNPFEDSA-N 1 0 374.441 2.513 20 5 FFBDRO CCC[NH+]1C[C@@H]2CN(c3nc(Cl)nc(SC)c3[N+](=O)[O-])C[C@H]2C1 ZINC001157690869 1029646977 /nfs/dbraw/zinc/64/69/77/1029646977.db2.gz GHLYCHPDLBEFAM-NXEZZACHSA-N 1 0 357.867 2.538 20 5 FFBDRO O=C(NCCC[NH2+]CCCc1cccc2ccccc21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157774876 1029661267 /nfs/dbraw/zinc/66/12/67/1029661267.db2.gz FDEZPHRHTVQHLQ-RTBURBONSA-N 1 0 355.438 2.534 20 5 FFBDRO COc1cccc(N(c2cc([N+](=O)[O-])c3cc[nH]c3n2)C2CC[NH2+]CC2)n1 ZINC001158054670 1029720866 /nfs/dbraw/zinc/72/08/66/1029720866.db2.gz YYFJQAWTDRCMTG-UHFFFAOYSA-N 1 0 368.397 2.765 20 5 FFBDRO O=C(CC[N@H+]1CCc2ccc(O)cc2C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000782512220 1029727533 /nfs/dbraw/zinc/72/75/33/1029727533.db2.gz CVDQJFROZYXIJH-UHFFFAOYSA-N 1 0 359.357 2.826 20 5 FFBDRO COC(=O)c1ccnc(N[C@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)c1[N+](=O)[O-] ZINC001158263403 1029777522 /nfs/dbraw/zinc/77/75/22/1029777522.db2.gz CKTPQZHWMMOAGX-GTNSWQLSSA-N 1 0 350.419 2.732 20 5 FFBDRO CCOc1nc(N(c2cc(C)nc(C)n2)C2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC001158390868 1029818412 /nfs/dbraw/zinc/81/84/12/1029818412.db2.gz DOPWGAHBZAOSRJ-UHFFFAOYSA-N 1 0 372.429 2.685 20 5 FFBDRO Cc1nc2c(n1-c1cc3ccc(Cl)nc3cc1[N+](=O)[O-])CC[NH2+]CC2 ZINC001165357230 1029957199 /nfs/dbraw/zinc/95/71/99/1029957199.db2.gz WFXJBJZYSJMFNT-UHFFFAOYSA-N 1 0 357.801 2.979 20 5 FFBDRO O=[N+]([O-])c1cc2c(cc1NCc1ccc(CN3CCOCC3)cc1)C[NH2+]C2 ZINC001165384547 1029963990 /nfs/dbraw/zinc/96/39/90/1029963990.db2.gz MFFGTCJCCFSMQM-UHFFFAOYSA-N 1 0 368.437 2.642 20 5 FFBDRO C/C(=C/C(=O)N1CC[NH+](CC2CCOCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000784013871 1030417636 /nfs/dbraw/zinc/41/76/36/1030417636.db2.gz PNAONCYRAPAENK-PEZBUJJGSA-N 1 0 373.453 2.569 20 5 FFBDRO Cc1c(CO)cc([N+](=O)[O-])c(NCC[C@@H](C)[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000784255124 1030537851 /nfs/dbraw/zinc/53/78/51/1030537851.db2.gz PJANZGWUQIFLGW-GFCCVEGCSA-N 1 0 366.418 2.980 20 5 FFBDRO C[NH+](C)[C@H](CNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000842511836 1030773584 /nfs/dbraw/zinc/77/35/84/1030773584.db2.gz CXBMYZPOVRHZQJ-XGCMIMOYSA-N 1 0 353.422 2.897 20 5 FFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001534856213 1069693090 /nfs/dbraw/zinc/69/30/90/1069693090.db2.gz AJBRGQFJWFFFCJ-WMLDXEAASA-N 1 0 368.437 2.796 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2ncn(C[N@@H+]3CC[C@H](c4cccnc4)C3)n2)c1 ZINC000842622478 1030837092 /nfs/dbraw/zinc/83/70/92/1030837092.db2.gz PKYNOOKBRCXUEE-INIZCTEOSA-N 1 0 350.382 2.695 20 5 FFBDRO CC(C)NC(=O)OC[C@H]1CCCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000796706220 1030887586 /nfs/dbraw/zinc/88/75/86/1030887586.db2.gz IZUDGJOBPMQLCJ-SJORKVTESA-N 1 0 365.430 2.617 20 5 FFBDRO O=c1[nH]c2cccc(C[N@H+]3CC[C@@H](Nc4ccc([N+](=O)[O-])cn4)C3)c2o1 ZINC001204305417 1031218404 /nfs/dbraw/zinc/21/84/04/1031218404.db2.gz BSXUYJDIVAXPBI-GFCCVEGCSA-N 1 0 355.354 2.523 20 5 FFBDRO O=C(N[C@H]1CC[NH2+]C2(CCC2)C1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000843508818 1031435550 /nfs/dbraw/zinc/43/55/50/1031435550.db2.gz YWGKRAJRVLGYMH-HNNXBMFYSA-N 1 0 372.469 2.990 20 5 FFBDRO C[C@]12CN(C(=O)c3cc([N+](=O)[O-])c[nH]3)C[C@@]1(C)C[N@H+](Cc1ccccc1)C2 ZINC001150129260 1031663996 /nfs/dbraw/zinc/66/39/96/1031663996.db2.gz XIAIAYUQLPPADW-BGYRXZFFSA-N 1 0 368.437 2.907 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@@H](CCO)Cc2ccccc2)n1 ZINC000799732500 1031867100 /nfs/dbraw/zinc/86/71/00/1031867100.db2.gz ZPTXBAFWTVBYJK-RCCFBDPRSA-N 1 0 358.442 2.858 20 5 FFBDRO Cc1ccc(OS(=O)(=O)c2ccccc2Cn2ccnc2)cc1[N+](=O)[O-] ZINC000799793338 1031888037 /nfs/dbraw/zinc/88/80/37/1031888037.db2.gz WYPIOEZVVPQEDO-UHFFFAOYSA-N 1 0 373.390 2.916 20 5 FFBDRO COC(=O)c1cccc2[nH]c([C@@](F)(Cl)O[C@@H](C)C[N+](C)(C)C)nc21 ZINC001223402746 1033428569 /nfs/dbraw/zinc/42/85/69/1033428569.db2.gz HDPKBOWWQBHCAB-QFYYESIMSA-O 1 0 358.821 2.779 20 5 FFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1 ZINC000831563142 1034125520 /nfs/dbraw/zinc/12/55/20/1034125520.db2.gz KTBWLYMTUQILBV-KWCYVHTRSA-N 1 0 371.359 2.998 20 5 FFBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@@H]3CC4(CC[C@@H]32)OCCO4)cc1 ZINC000832041417 1034511546 /nfs/dbraw/zinc/51/15/46/1034511546.db2.gz VDLUOOXNFMJVRB-QAPCUYQASA-N 1 0 362.426 2.981 20 5 FFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Oc1ccc([N+](=O)[O-])cc1C(N)=O ZINC001226167334 1034555992 /nfs/dbraw/zinc/55/59/92/1034555992.db2.gz HWGLDVXIGMUPIB-RDTXWAMCSA-N 1 0 369.421 2.983 20 5 FFBDRO C[C@@H](c1ccccn1)[N@@H+]1CCC[C@@H](Oc2ccc([N+](=O)[O-])cc2C(N)=O)C1 ZINC001226171613 1034559024 /nfs/dbraw/zinc/55/90/24/1034559024.db2.gz DPLJFUHAKADGJU-DZGCQCFKSA-N 1 0 370.409 2.693 20 5 FFBDRO COc1cc(O[C@@H]2CCC[N@@H+]([C@@H](C)c3ccccn3)C2)ncc1[N+](=O)[O-] ZINC001226579773 1034745470 /nfs/dbraw/zinc/74/54/70/1034745470.db2.gz USSPUCPGHXOVEC-UONOGXRCSA-N 1 0 358.398 2.998 20 5 FFBDRO O=c1cc(O[C@H]2CC[C@@H]([NH+]3CCOCC3)CC2)c2cc([N+](=O)[O-])ccc2[nH]1 ZINC001227221213 1034973935 /nfs/dbraw/zinc/97/39/35/1034973935.db2.gz PUKWHHIQQMZADX-OTVXOJSOSA-N 1 0 373.409 2.871 20 5 FFBDRO O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC001140097021 1035340881 /nfs/dbraw/zinc/34/08/81/1035340881.db2.gz HVLSXAPBNOSLQG-CQSZACIVSA-N 1 0 351.834 2.924 20 5 FFBDRO O=c1ccc2[n+]([O-])c3ccc(OC4CC[NH+](C5CC5)CC4)cc3oc-2c1 ZINC001227448586 1035557400 /nfs/dbraw/zinc/55/74/00/1035557400.db2.gz GXTUFPHRGVVKRK-UHFFFAOYSA-N 1 0 352.390 2.537 20 5 FFBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc(OCc2ccccc2)c(F)c1 ZINC001228949927 1036426322 /nfs/dbraw/zinc/42/63/22/1036426322.db2.gz HMWCTUMJRGMEOI-MRXNPFEDSA-N 1 0 362.421 2.767 20 5 FFBDRO CC(=O)N1CCC(C(=O)c2cc(F)ccc2O[C@H](C)C[N+](C)(C)C)CC1 ZINC001229574322 1036753216 /nfs/dbraw/zinc/75/32/16/1036753216.db2.gz ICLWSAVGEBWHMO-CQSZACIVSA-N 1 0 365.469 2.740 20 5 FFBDRO Cc1nc2c(c(O[C@H](C)C[N+](C)(C)C)n1)CCN(Cc1ccccc1)C2 ZINC001229898166 1036968193 /nfs/dbraw/zinc/96/81/93/1036968193.db2.gz UGSBBTBIGUINGN-MRXNPFEDSA-N 1 0 355.506 2.817 20 5 FFBDRO CCOc1cc(NC(=O)N2CC[NH+](C(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC001207129660 1037175499 /nfs/dbraw/zinc/17/54/99/1037175499.db2.gz BATCUHVYNQIFAM-UHFFFAOYSA-N 1 0 350.419 2.942 20 5 FFBDRO C[C@@H](C[N+](C)(C)C)Oc1cc2c(cc1[C@@H]1c3ccccc3NC1=O)OCO2 ZINC001230430173 1037280460 /nfs/dbraw/zinc/28/04/60/1037280460.db2.gz DUZQTVKVJOJCOA-RBZFPXEDSA-O 1 0 369.441 2.973 20 5 FFBDRO COc1cc(N2CCC([NH2+][C@H](CO)c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC001256082951 1038368402 /nfs/dbraw/zinc/36/84/02/1038368402.db2.gz ORCIRCMXEFGOMJ-GOSISDBHSA-N 1 0 371.437 2.895 20 5 FFBDRO COc1cc(N2CCC([NH2+]C[C@H](O)c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC001256083859 1038369825 /nfs/dbraw/zinc/36/98/25/1038369825.db2.gz WRBLNKXMKRNFMJ-IBGZPJMESA-N 1 0 371.437 2.895 20 5 FFBDRO COc1cc(N2CCC([NH2+][C@@H](C)Cc3cnccn3)CC2)ccc1[N+](=O)[O-] ZINC001256088008 1038373274 /nfs/dbraw/zinc/37/32/74/1038373274.db2.gz URZHFPUPOYPBMJ-AWEZNQCLSA-N 1 0 371.441 2.583 20 5 FFBDRO COc1cc(N2CCC([N@@H+]3CC[C@](C)(O)[C@@H](C)C3)CC2)ccc1[N+](=O)[O-] ZINC001256093514 1038378525 /nfs/dbraw/zinc/37/85/25/1038378525.db2.gz MWWYEWBFBSKCOM-LIRRHRJNSA-N 1 0 363.458 2.665 20 5 FFBDRO COc1cc(N2CCC([NH2+][C@@H]3CCN(C)C[C@H]3C)CC2)ccc1[N+](=O)[O-] ZINC001256094098 1038380656 /nfs/dbraw/zinc/38/06/56/1038380656.db2.gz GLKVUSRFMHFCRX-RHSMWYFYSA-N 1 0 362.474 2.502 20 5 FFBDRO COc1cc(N2CCC([NH2+][C@@H](CCO)C(C)C)CC2)ccc1[N+](=O)[O-] ZINC001256101743 1038386218 /nfs/dbraw/zinc/38/62/18/1038386218.db2.gz PGIYGDVDKDGGOX-INIZCTEOSA-N 1 0 351.447 2.569 20 5 FFBDRO COc1cccc(-c2nc3cc(N4CC[NH+](C)CC4)ccc3[nH]2)c1[N+](=O)[O-] ZINC001250880759 1038775812 /nfs/dbraw/zinc/77/58/12/1038775812.db2.gz COSPGWUBAQQUGT-UHFFFAOYSA-N 1 0 367.409 2.899 20 5 FFBDRO Cc1c([N+](=O)[O-])ccc(F)c1-c1nnc(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC001258154463 1039234765 /nfs/dbraw/zinc/23/47/65/1039234765.db2.gz VUJNBTBGAFJKBN-PHIMTYICSA-N 1 0 364.377 2.744 20 5 FFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N[C@@H](CCC[NH3+])C(=O)OC(C)(C)C ZINC001246241453 1039286855 /nfs/dbraw/zinc/28/68/55/1039286855.db2.gz MLYXSKKOWKXRIE-BBRMVZONSA-N 1 0 351.447 2.565 20 5 FFBDRO CC1(C)CCNC[C@H]1[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001246323295 1039313773 /nfs/dbraw/zinc/31/37/73/1039313773.db2.gz AFJVVZSKEVJZQD-MRXNPFEDSA-N 1 0 368.428 2.820 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CCC[C@]3(CCC[NH2+]3)C2)c1F ZINC001246615623 1039416625 /nfs/dbraw/zinc/41/66/25/1039416625.db2.gz CXXREVWHYWHQGT-FZKQIMNGSA-N 1 0 351.422 2.892 20 5 FFBDRO COCCCN([C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC001246809897 1039489516 /nfs/dbraw/zinc/48/95/16/1039489516.db2.gz UDPFFTPKLDVBOC-NVXWUHKLSA-N 1 0 365.474 2.625 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CC[NH2+][C@@H](CC(C)C)C2)c1F ZINC001246824328 1039494144 /nfs/dbraw/zinc/49/41/44/1039494144.db2.gz QROYZHWHHZLMFG-KGLIPLIRSA-N 1 0 353.438 2.993 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N(C2CC2)[C@H]2CCC[NH2+]C2)c1F ZINC001246904204 1039527365 /nfs/dbraw/zinc/52/73/65/1039527365.db2.gz FOUOLEHKTUGENC-JSGCOSHPSA-N 1 0 351.422 2.890 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c1F ZINC001247006801 1039576091 /nfs/dbraw/zinc/57/60/91/1039576091.db2.gz AZBBGNLDDHBLJE-GUTXKFCHSA-N 1 0 351.422 2.747 20 5 FFBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@H]2[NH2+]CC[C@H]2c2ccccc2)n1 ZINC001249287997 1040668764 /nfs/dbraw/zinc/66/87/64/1040668764.db2.gz NLPXFIUJLOAAKJ-JSGCOSHPSA-N 1 0 355.329 2.997 20 5 FFBDRO [NH3+][C@H](Cc1nc(-c2cccn3ccnc23)no1)c1ccc([N+](=O)[O-])cc1 ZINC001249342308 1040692706 /nfs/dbraw/zinc/69/27/06/1040692706.db2.gz KUALCIZARJQZHM-CQSZACIVSA-N 1 0 350.338 2.535 20 5 FFBDRO C[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[C@H](O)c1cccc(O)c1 ZINC001254469723 1040737319 /nfs/dbraw/zinc/73/73/19/1040737319.db2.gz YOHZBBAMUAKPDY-XOBRGWDASA-N 1 0 371.437 2.981 20 5 FFBDRO O=C1CCC[C@@]2(CCC[N@@H+](C3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C2)N1 ZINC001254476446 1040742992 /nfs/dbraw/zinc/74/29/92/1040742992.db2.gz HYHVNVBAAMJSGC-FQEVSTJZSA-N 1 0 372.469 2.698 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3C[C@@H]4C[C@H]3[C@@H](C(F)(F)F)O4)CC2)cc1 ZINC001254479663 1040745615 /nfs/dbraw/zinc/74/56/15/1040745615.db2.gz GVHAJEOIYCCKBR-JYJNAYRXSA-N 1 0 371.359 2.968 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N(Cc1ccccc1)C1(C[NH3+])COC1 ZINC001254537272 1040787908 /nfs/dbraw/zinc/78/79/08/1040787908.db2.gz YVZFCXZYKWAQFM-MRXNPFEDSA-N 1 0 355.438 2.756 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCC([NH3+])(Cc2ccccn2)CC1 ZINC001254546334 1040790227 /nfs/dbraw/zinc/79/02/27/1040790227.db2.gz RKOHBNCKCKKWLQ-MRXNPFEDSA-N 1 0 354.454 2.957 20 5 FFBDRO CCO[C@H]1CC[N@H+]([C@H](C)Cc2ccccc2[N+](=O)[O-])[C@H]1Cc1cnn(C)c1 ZINC001254558796 1040795787 /nfs/dbraw/zinc/79/57/87/1040795787.db2.gz VTYPNAYEHZABER-XPGWFJOJSA-N 1 0 372.469 2.981 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H]2C[C@H](C(=O)NC3CC3)C[C@@H]2C1 ZINC001254556952 1040796059 /nfs/dbraw/zinc/79/60/59/1040796059.db2.gz NYBHOCJQKXSLSL-QSPRXWTASA-N 1 0 357.454 2.762 20 5 FFBDRO COc1nccc(N([C@@H](C)Cc2ccccc2[N+](=O)[O-])C2CC[NH2+]CC2)n1 ZINC001254567303 1040805538 /nfs/dbraw/zinc/80/55/38/1040805538.db2.gz AWZRLGUXKKBIRA-AWEZNQCLSA-N 1 0 371.441 2.583 20 5 FFBDRO COc1ccc(OC)c(C(=O)C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001254569506 1040806213 /nfs/dbraw/zinc/80/62/13/1040806213.db2.gz YWCMUBIYNXQKGN-AWEZNQCLSA-N 1 0 356.378 2.552 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N1CC[NH+](Cc2cccc(N)c2)CC1 ZINC001254571314 1040808802 /nfs/dbraw/zinc/80/88/02/1040808802.db2.gz SFHUEGMJILYJMA-MRXNPFEDSA-N 1 0 354.454 2.926 20 5 FFBDRO COc1ccc(N2CC[NH+]([C@H](C)Cc3ccccc3[N+](=O)[O-])CC2)nc1 ZINC001254571416 1040809027 /nfs/dbraw/zinc/80/90/27/1040809027.db2.gz UVQSAKXZOQCCEI-OAHLLOKOSA-N 1 0 356.426 2.752 20 5 FFBDRO O=C(c1ccccc1)N1CCC[C@@H]([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254575644 1040810688 /nfs/dbraw/zinc/81/06/88/1040810688.db2.gz SBLSTPXNWUBSME-RTBURBONSA-N 1 0 365.433 2.956 20 5 FFBDRO COc1ccc2c(c1)NC(=O)C[C@@H]2C[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254579602 1040811673 /nfs/dbraw/zinc/81/16/73/1040811673.db2.gz UGUKTNYAJOXLCY-HUUCEWRRSA-N 1 0 367.405 2.786 20 5 FFBDRO O=C(c1ccc(F)cc1)N1CC[C@H]([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254586302 1040818086 /nfs/dbraw/zinc/81/80/86/1040818086.db2.gz PMDDTVRXRKCNSG-ROUUACIJSA-N 1 0 369.396 2.705 20 5 FFBDRO O=C1CCCCN1c1cc(C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)ccn1 ZINC001254586852 1040818690 /nfs/dbraw/zinc/81/86/90/1040818690.db2.gz LNVIMLUKAWKUHL-KRWDZBQOSA-N 1 0 366.421 2.764 20 5 FFBDRO CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@@H]2C1 ZINC001254594402 1040821530 /nfs/dbraw/zinc/82/15/30/1040821530.db2.gz QQTDNXRBEQTQIM-JZXOWHBKSA-N 1 0 373.453 2.861 20 5 FFBDRO CCOCc1cnc2n1CCN([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)[C@@H]2C ZINC001254595653 1040825672 /nfs/dbraw/zinc/82/56/72/1040825672.db2.gz KLFKMXXMUXATJB-CXAGYDPISA-N 1 0 356.426 2.872 20 5 FFBDRO COC(=O)[C@@H]1C[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@@H]1c1ccccc1 ZINC001254605367 1040834380 /nfs/dbraw/zinc/83/43/80/1040834380.db2.gz BMOMYFNJIKNFGO-XUVXKRRUSA-N 1 0 366.417 2.951 20 5 FFBDRO C[NH+]1CCN(c2cccc3[nH]c(Cc4ccccc4[N+](=O)[O-])nc32)CC1 ZINC001250616652 1041267527 /nfs/dbraw/zinc/26/75/27/1041267527.db2.gz UWDWPBJYAOPXEC-UHFFFAOYSA-N 1 0 351.410 2.814 20 5 FFBDRO Cc1ccsc1C(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001262812550 1041871905 /nfs/dbraw/zinc/87/19/05/1041871905.db2.gz ZQTSCZQYFHHWDP-UHFFFAOYSA-N 1 0 360.439 2.969 20 5 FFBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCCCC12CC[NH2+]CC2 ZINC001263084077 1042093313 /nfs/dbraw/zinc/09/33/13/1042093313.db2.gz ITJHRLQPFIYPQL-QGZVFWFLSA-N 1 0 361.442 2.650 20 5 FFBDRO [NH3+]CC[C@@H]1CN(C(=O)CCOc2ccccc2[N+](=O)[O-])c2ccccc21 ZINC001263173775 1042148615 /nfs/dbraw/zinc/14/86/15/1042148615.db2.gz JTTKLBPCWAPULL-CQSZACIVSA-N 1 0 355.394 2.843 20 5 FFBDRO C[NH+](C)[C@H](CNC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1)c1ccccc1 ZINC001538902950 1070513409 /nfs/dbraw/zinc/51/34/09/1070513409.db2.gz KHLVJQLZDYCCEL-OAHLLOKOSA-N 1 0 362.817 2.863 20 5 FFBDRO CN(C)c1ccc([C@@H](C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)N(C)C)cc1 ZINC000905702732 1043783187 /nfs/dbraw/zinc/78/31/87/1043783187.db2.gz GFGWQRPOIOURKC-UXHICEINSA-N 1 0 372.469 2.587 20 5 FFBDRO C[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001313376430 1044338151 /nfs/dbraw/zinc/33/81/51/1044338151.db2.gz PORJMMRTUKBVMV-SJLPKXTDSA-N 1 0 360.458 2.968 20 5 FFBDRO CN(CCC[N@H+](C)Cc1cccc2ccccc21)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001280813919 1044741666 /nfs/dbraw/zinc/74/16/66/1044741666.db2.gz JALHXARMXGKHNX-RTBURBONSA-N 1 0 355.438 2.785 20 5 FFBDRO COc1ccc(C[C@H](C)[N@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 ZINC001319315928 1045108009 /nfs/dbraw/zinc/10/80/09/1045108009.db2.gz SIISTEIJNOOBJV-ZDUSSCGKSA-N 1 0 357.410 2.765 20 5 FFBDRO C[N@@H+]1CC[C@H](NC(=O)NCc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(F)cc1 ZINC001319691115 1045240648 /nfs/dbraw/zinc/24/06/48/1045240648.db2.gz NAAVHYQBGHARSX-ROUUACIJSA-N 1 0 372.400 2.979 20 5 FFBDRO Cc1c(Br)c(N2CCC[N@@H+]3CCC[C@H]3C2)ncc1[N+](=O)[O-] ZINC001323791887 1045727261 /nfs/dbraw/zinc/72/72/61/1045727261.db2.gz DBODYJVYUSNMGH-NSHDSACASA-N 1 0 355.236 2.735 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(Cc2noc(-c3ccc4c(c3)C[NH2+]CC4)n2)c1 ZINC001325897695 1046679892 /nfs/dbraw/zinc/67/98/92/1046679892.db2.gz WSGXIPDWOLWPOA-UHFFFAOYSA-N 1 0 366.377 2.890 20 5 FFBDRO Nc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC001540337888 1070851514 /nfs/dbraw/zinc/85/15/14/1070851514.db2.gz HJCMUDDWLLTJGO-GOSISDBHSA-N 1 0 354.410 2.744 20 5 FFBDRO CO[C@](C)(CO)C[NH2+]Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001326795782 1047093161 /nfs/dbraw/zinc/09/31/61/1047093161.db2.gz JUTBJRYCKRFDSQ-INIZCTEOSA-N 1 0 354.790 2.995 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCN(c3cc[nH+]cc3)[C@H](C)C2)c1C ZINC001288350367 1047453013 /nfs/dbraw/zinc/45/30/13/1047453013.db2.gz HUMZPQPWRMLMTQ-CQSZACIVSA-N 1 0 354.410 2.958 20 5 FFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]Cc3cccc(OCC(F)(F)F)n3)C2)c1 ZINC001331729453 1048083910 /nfs/dbraw/zinc/08/39/10/1048083910.db2.gz WKONJEZAJULUNF-UHFFFAOYSA-N 1 0 371.319 2.621 20 5 FFBDRO O=[N+]([O-])c1cnc(N2CCC(C[NH+]3CCOCC3)CC2)c2ccccc21 ZINC001332198498 1048297540 /nfs/dbraw/zinc/29/75/40/1048297540.db2.gz YELXCJKZRSYGNZ-UHFFFAOYSA-N 1 0 356.426 2.692 20 5 FFBDRO COc1ccc([C@@H]2C[NH2+]CCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC001330937556 1049402413 /nfs/dbraw/zinc/40/24/13/1049402413.db2.gz KQHRBLOGDNCNCE-SFHVURJKSA-N 1 0 355.394 2.699 20 5 FFBDRO CCO[C@@H](CNc1ncnc2c(Cl)cc([N+](=O)[O-])cc12)C[NH+](C)C ZINC001307205344 1049997255 /nfs/dbraw/zinc/99/72/55/1049997255.db2.gz JIDMHGUCVIQBQK-NSHDSACASA-N 1 0 353.810 2.570 20 5 FFBDRO Cn1c([C@@H]2CCC[N@H+](C)C2)nnc1N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001339720703 1050152293 /nfs/dbraw/zinc/15/22/93/1050152293.db2.gz JGZNIDNFYZNZRO-OAHLLOKOSA-N 1 0 370.457 2.702 20 5 FFBDRO [NH3+][C@H]1CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[C@@H]1C(F)(F)F ZINC001341709335 1050328822 /nfs/dbraw/zinc/32/88/22/1050328822.db2.gz MYEMYVSUKHCCFW-CBAPKCEASA-N 1 0 351.712 2.600 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)c1ccc([C@@H]2CCCC[NH2+]2)n1C ZINC001339996059 1050407423 /nfs/dbraw/zinc/40/74/23/1050407423.db2.gz MWUBHUXHLYMWQT-HNNXBMFYSA-N 1 0 372.425 2.687 20 5 FFBDRO CCC(CC)Nc1cc[nH+]cc1NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC001298607933 1050488999 /nfs/dbraw/zinc/48/89/99/1050488999.db2.gz CVSJUUZCVFEKKX-UHFFFAOYSA-N 1 0 372.381 2.993 20 5 FFBDRO CCn1c(CCc2cccc([N+](=O)[O-])c2)nnc1N1CC[NH+](C(C)C)CC1 ZINC001340440208 1050833011 /nfs/dbraw/zinc/83/30/11/1050833011.db2.gz KTQDHZZVQROMSS-UHFFFAOYSA-N 1 0 372.473 2.522 20 5 FFBDRO C[C@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001301482975 1050902772 /nfs/dbraw/zinc/90/27/72/1050902772.db2.gz RAZPSERHTONAJC-WBMJQRKESA-N 1 0 364.402 2.695 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@@H](O)CC[C@H](O)c1ccccc1)CC2 ZINC001340616640 1050997729 /nfs/dbraw/zinc/99/77/29/1050997729.db2.gz SEXMGEFSDAYFEO-PMACEKPBSA-N 1 0 356.422 2.828 20 5 FFBDRO COc1ccc(CC(=O)NCCCCCC2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC001342463627 1051062350 /nfs/dbraw/zinc/06/23/50/1051062350.db2.gz XXLAMISUBPWLEE-UHFFFAOYSA-N 1 0 363.458 2.822 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N3C[C@H]([NH3+])C(C)(C)C3)cc2[N+](=O)[O-])CC1 ZINC001342501285 1051103357 /nfs/dbraw/zinc/10/33/57/1051103357.db2.gz CTQGPMAMQKMAET-KRWDZBQOSA-N 1 0 360.458 2.640 20 5 FFBDRO CCCC[N@H+](C)CC1CCN(c2nnc([C@@H](C)[N+](=O)[O-])n2CC)CC1 ZINC001340879810 1051212927 /nfs/dbraw/zinc/21/29/27/1051212927.db2.gz YVTIXUXVBGZUDJ-CQSZACIVSA-N 1 0 352.483 2.584 20 5 FFBDRO CCn1c([C@@H](C)[N+](=O)[O-])nnc1N1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001342656722 1051265502 /nfs/dbraw/zinc/26/55/02/1051265502.db2.gz BIJVJZGWJIXKTK-OAHLLOKOSA-N 1 0 372.473 2.737 20 5 FFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC001340943883 1051275599 /nfs/dbraw/zinc/27/55/99/1051275599.db2.gz VLSQQTKZFKJQQM-GHMZBOCLSA-N 1 0 363.361 2.668 20 5 FFBDRO [NH3+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC001342858919 1051467669 /nfs/dbraw/zinc/46/76/69/1051467669.db2.gz LBYOCDOLRLOAHD-VELGLUOQSA-N 1 0 365.433 2.874 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)NCCc3ccccc3[N+](=O)[O-])C[C@H]2C1 ZINC001343139115 1051761293 /nfs/dbraw/zinc/76/12/93/1051761293.db2.gz JCCOQBYITVDPMV-BRWVUGGUSA-N 1 0 360.458 2.509 20 5 FFBDRO O=C(NC[C@@H]1CCCCC[NH2+]1)c1ccc([N+](=O)[O-])cc1Br ZINC001341439141 1051795802 /nfs/dbraw/zinc/79/58/02/1051795802.db2.gz UPUPLVWRLUVCQN-JTQLQIEISA-N 1 0 356.220 2.619 20 5 FFBDRO Cc1ccc(C[N@@H+]2CCCN(c3ccc4ncc([N+](=O)[O-])n4n3)CC2)cc1 ZINC001341473553 1051828804 /nfs/dbraw/zinc/82/88/04/1051828804.db2.gz IHUFGWDOQMDWPT-UHFFFAOYSA-N 1 0 366.425 2.658 20 5 FFBDRO O=[N+]([O-])c1cnc2cc(Br)ccc2c1NCC[NH+]1CCCC1 ZINC001306916607 1052221484 /nfs/dbraw/zinc/22/14/84/1052221484.db2.gz HPFTWOBHXFGZRX-UHFFFAOYSA-N 1 0 365.231 2.835 20 5 FFBDRO COc1ccc(NC(=O)NC2CC[NH+](CC(C)C)CC2)c([N+](=O)[O-])c1 ZINC001345096161 1052255035 /nfs/dbraw/zinc/25/50/35/1052255035.db2.gz NMRFLHALHWWXDS-UHFFFAOYSA-N 1 0 350.419 2.845 20 5 FFBDRO O=[N+]([O-])c1cc2c(nc1N1CC[NH2+][C@@H](c3ccc(O)cc3)C1)CCCC2 ZINC001307201928 1052266567 /nfs/dbraw/zinc/26/65/67/1052266567.db2.gz RKVFQSIJLYLGPD-QGZVFWFLSA-N 1 0 354.410 2.725 20 5 FFBDRO COc1cc(C(=O)N2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)c([N+](=O)[O-])cc1F ZINC001335225968 1053263514 /nfs/dbraw/zinc/26/35/14/1053263514.db2.gz GCEMDPKQQFWNGI-RWMBFGLXSA-N 1 0 365.405 2.545 20 5 FFBDRO COC(=O)[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2Br)C[C@@H]1C ZINC001347144950 1053662234 /nfs/dbraw/zinc/66/22/34/1053662234.db2.gz FPVXJDIVPNMBFB-GXFFZTMASA-N 1 0 371.231 2.988 20 5 FFBDRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001543376032 1071462444 /nfs/dbraw/zinc/46/24/44/1071462444.db2.gz UUIQXGAIDAWVLE-SXLOBPIMSA-N 1 0 367.449 2.987 20 5 FFBDRO COc1cc([C@@H](C)[NH2+]C[C@@H](CO)CC2CCOCC2)cc([N+](=O)[O-])c1 ZINC001337821946 1055039899 /nfs/dbraw/zinc/03/98/99/1055039899.db2.gz OXODUWRDTBWVIE-HIFRSBDPSA-N 1 0 352.431 2.679 20 5 FFBDRO O=[N+]([O-])c1cccc2c(N3CCC[C@H]([NH2+]C4CCOCC4)C3)ccnc21 ZINC001349774153 1055463050 /nfs/dbraw/zinc/46/30/50/1055463050.db2.gz PQGXGSTZXHAGQA-HNNXBMFYSA-N 1 0 356.426 2.880 20 5 FFBDRO C[C@@](O)(C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1Cl ZINC001338505791 1055577632 /nfs/dbraw/zinc/57/76/32/1055577632.db2.gz LKWLCXXUVWWYMZ-DLBZAZTESA-N 1 0 350.802 2.779 20 5 FFBDRO Cc1cc(C(=O)NC[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC001352910378 1055918535 /nfs/dbraw/zinc/91/85/35/1055918535.db2.gz GGPFOBGXSVGUBY-WMZOPIPTSA-N 1 0 361.442 2.524 20 5 FFBDRO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC001357659813 1055976421 /nfs/dbraw/zinc/97/64/21/1055976421.db2.gz JJWONGOFWXWLPR-GFCCVEGCSA-N 1 0 351.834 2.972 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ccc(CNC[C@@H]3C[N@@H+]4CCC[C@H]4CO3)o2)cc1 ZINC001200267438 1056189080 /nfs/dbraw/zinc/18/90/80/1056189080.db2.gz FYBIJGJDIHRLNH-FUHWJXTLSA-N 1 0 357.410 2.808 20 5 FFBDRO CCn1c(-c2cccc([N+](=O)[O-])c2C)nnc1N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC001339235577 1056234418 /nfs/dbraw/zinc/23/44/18/1056234418.db2.gz WAKQCNJRQSGVKM-YOEHRIQHSA-N 1 0 370.457 2.712 20 5 FFBDRO C[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](C)C1)[NH+](C)C ZINC001544324786 1071627868 /nfs/dbraw/zinc/62/78/68/1071627868.db2.gz OEGFVCHVUPANCR-ZIAGYGMSSA-N 1 0 358.446 2.650 20 5 FFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([NH2+]CCCc2ccc(Cl)cc2)CC1 ZINC001200470973 1058298668 /nfs/dbraw/zinc/29/86/68/1058298668.db2.gz BLFGJPINYVQQPM-IAGOWNOFSA-N 1 0 365.861 2.518 20 5 FFBDRO CC[N@@H+]1C[C@H](NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C(C)(C)C1 ZINC001472057528 1058325629 /nfs/dbraw/zinc/32/56/29/1058325629.db2.gz RCIDWQDWOHUUAX-HNNXBMFYSA-N 1 0 369.849 2.864 20 5 FFBDRO CCOc1ccc(C(=O)NC2CCN(c3cc[nH+]cc3)CC2)cc1[N+](=O)[O-] ZINC001518997391 1058580773 /nfs/dbraw/zinc/58/07/73/1058580773.db2.gz FPEIYLJMWULAES-UHFFFAOYSA-N 1 0 370.409 2.787 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH2+][C@H](Cc3ccccc3)C2)c1C ZINC001454587839 1059574269 /nfs/dbraw/zinc/57/42/69/1059574269.db2.gz RAZQEZQAHACUQN-QGZVFWFLSA-N 1 0 353.422 2.868 20 5 FFBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC001454633561 1059590207 /nfs/dbraw/zinc/59/02/07/1059590207.db2.gz KFDDQRVMLJCEMH-HOCLYGCPSA-N 1 0 368.437 2.675 20 5 FFBDRO CCC(C)(C)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)CC1 ZINC000848303548 1059672845 /nfs/dbraw/zinc/67/28/45/1059672845.db2.gz ZOMFOBRERCZSDV-UHFFFAOYSA-N 1 0 366.437 2.746 20 5 FFBDRO O=[N+]([O-])c1cnc(N2CCC[N@H+](Cc3ccccc3)CCOCC2)s1 ZINC001472889315 1059675203 /nfs/dbraw/zinc/67/52/03/1059675203.db2.gz VLXHVYLBQNFNGI-UHFFFAOYSA-N 1 0 362.455 2.780 20 5 FFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC[C@H]1CCC[NH2+]CC1 ZINC001515773219 1059788819 /nfs/dbraw/zinc/78/88/19/1059788819.db2.gz OEBXMDRCIVXTGH-KGLIPLIRSA-N 1 0 351.472 2.971 20 5 FFBDRO C[NH+](C)CC[C@@H]1CCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC001455631700 1059844387 /nfs/dbraw/zinc/84/43/87/1059844387.db2.gz NTGHWHRHFAKFBM-MRXNPFEDSA-N 1 0 374.485 2.611 20 5 FFBDRO Cc1nccn1CCC[N@@H+](C)Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000848482750 1060122082 /nfs/dbraw/zinc/12/20/82/1060122082.db2.gz RTQUYPZVUMLFCU-UHFFFAOYSA-N 1 0 354.414 2.943 20 5 FFBDRO O=C(CCOc1ccccc1[N+](=O)[O-])NC1CCN(c2cc[nH+]cc2)CC1 ZINC001520884545 1060167330 /nfs/dbraw/zinc/16/73/30/1060167330.db2.gz KNHMJLIMMMHSKG-UHFFFAOYSA-N 1 0 370.409 2.544 20 5 FFBDRO CC(C)(C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])[C@H]1COCC12OCCO2 ZINC000848552819 1060266942 /nfs/dbraw/zinc/26/69/42/1060266942.db2.gz NYHWQQDVPBUUCB-NVXWUHKLSA-N 1 0 362.426 2.587 20 5 FFBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(F)(F)Oc3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000848585177 1060314331 /nfs/dbraw/zinc/31/43/31/1060314331.db2.gz MVHKJARKJBATEW-DOMZBBRYSA-N 1 0 369.368 2.509 20 5 FFBDRO O=C(NCC1CC[NH+](C2CC2)CC1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848592657 1060325390 /nfs/dbraw/zinc/32/53/90/1060325390.db2.gz MLVMWVBVDYHYSL-UHFFFAOYSA-N 1 0 369.368 2.557 20 5 FFBDRO O=C(N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc([N+](=O)[O-])cc1F ZINC001355560355 1060360764 /nfs/dbraw/zinc/36/07/64/1060360764.db2.gz XWUQNOGRGINHOR-LPHOPBHVSA-N 1 0 371.368 2.720 20 5 FFBDRO O=C(COC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000848774850 1060661788 /nfs/dbraw/zinc/66/17/88/1060661788.db2.gz NYFDKYZYOLVAQR-QGZVFWFLSA-N 1 0 368.389 2.843 20 5 FFBDRO Cc1c(CO)cc([N+](=O)[O-])c(N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000848783913 1060689844 /nfs/dbraw/zinc/68/98/44/1060689844.db2.gz GKAJAKWLSTVLHX-KGLIPLIRSA-N 1 0 364.402 2.733 20 5 FFBDRO CC[C@H]1Oc2cc([C@@H](C)[NH2+]CCn3c(C)ncc3[N+](=O)[O-])ccc2NC1=O ZINC001459847067 1060829249 /nfs/dbraw/zinc/82/92/49/1060829249.db2.gz AJQRPFHJZMXJAP-IAQYHMDHSA-N 1 0 373.413 2.560 20 5 FFBDRO CC[C@H](C)[C@H]([NH2+]CC[N+](=O)[O-])C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001459852836 1060833715 /nfs/dbraw/zinc/83/37/15/1060833715.db2.gz ZQYGEZQLVXWSCX-LPHOPBHVSA-N 1 0 361.486 2.749 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CCN[C@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC001459910335 1060844912 /nfs/dbraw/zinc/84/49/12/1060844912.db2.gz HZYNMYATMFWTJT-LLVKDONJSA-N 1 0 374.376 2.948 20 5 FFBDRO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001460602339 1061028421 /nfs/dbraw/zinc/02/84/21/1061028421.db2.gz AFOQLRRWBKNWFY-XPKDYRNWSA-N 1 0 365.430 2.616 20 5 FFBDRO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)CCc1c(Cl)cccc1[N+](=O)[O-])C2 ZINC001521886088 1061197044 /nfs/dbraw/zinc/19/70/44/1061197044.db2.gz YJYNUKQBBSOZGN-SJCJKPOMSA-N 1 0 351.834 2.768 20 5 FFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC001476666327 1061455252 /nfs/dbraw/zinc/45/52/52/1061455252.db2.gz XTRCBDFNPSBJMH-GFCCVEGCSA-N 1 0 370.837 2.525 20 5 FFBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@@]12CC[N@H+](C1)CCC2 ZINC001462282672 1061569676 /nfs/dbraw/zinc/56/96/76/1061569676.db2.gz QCPIBWAJCAQQQI-HNNXBMFYSA-N 1 0 355.847 2.695 20 5 FFBDRO COc1c(O)ccc(C[NH2+][C@@H]2CCO[C@H](c3ccncc3)C2)c1[N+](=O)[O-] ZINC001462397872 1061607773 /nfs/dbraw/zinc/60/77/73/1061607773.db2.gz CKFYTYYIWITVRV-ZBFHGGJFSA-N 1 0 359.382 2.714 20 5 FFBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NCc2ccc3c[nH+]cn3c2)cc1OC ZINC001527875380 1061666448 /nfs/dbraw/zinc/66/64/48/1061666448.db2.gz SKGRYJFUMFDLGI-UHFFFAOYSA-N 1 0 370.365 2.580 20 5 FFBDRO Cc1nnc(N(C)CCc2ccccc2[N+](=O)[O-])n1CC(C)(C)C[NH+](C)C ZINC001492785075 1062211257 /nfs/dbraw/zinc/21/12/57/1062211257.db2.gz VLIAEEOMKACUHM-UHFFFAOYSA-N 1 0 374.489 2.761 20 5 FFBDRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2N)CC1 ZINC001464088707 1062417959 /nfs/dbraw/zinc/41/79/59/1062417959.db2.gz SZDDAXZQCTXXJU-UHFFFAOYSA-N 1 0 368.437 2.834 20 5 FFBDRO CC(C)(C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)[NH+]1CCCCC1 ZINC001464212268 1062484259 /nfs/dbraw/zinc/48/42/59/1062484259.db2.gz MXLOCUFXLCLHBD-UHFFFAOYSA-N 1 0 360.458 2.508 20 5 FFBDRO C[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](C)[C@H](C)C1)[NH+](C)C ZINC001494227180 1063305458 /nfs/dbraw/zinc/30/54/58/1063305458.db2.gz ILRVWYHXDAYYIV-RBSFLKMASA-N 1 0 372.473 2.896 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC001533530525 1063329965 /nfs/dbraw/zinc/32/99/65/1063329965.db2.gz FJVDKWSMTDXKLN-INIZCTEOSA-N 1 0 354.410 2.645 20 5 FFBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001466147092 1063341973 /nfs/dbraw/zinc/34/19/73/1063341973.db2.gz YQUGGCRGIMIHTI-GFCCVEGCSA-N 1 0 353.850 2.979 20 5 FFBDRO Nc1c(C(=O)NC2CC[NH+](C3CC3)CC2)cc2ccccc2c1[N+](=O)[O-] ZINC001440796414 1063356287 /nfs/dbraw/zinc/35/62/87/1063356287.db2.gz LMZQSQAUHCOZCA-UHFFFAOYSA-N 1 0 354.410 2.687 20 5 FFBDRO C[NH+](C)[C@@H](CNC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1)c1ccsc1 ZINC001441006370 1063384250 /nfs/dbraw/zinc/38/42/50/1063384250.db2.gz NJDOKFVJHMHYFA-ZDUSSCGKSA-N 1 0 368.846 2.925 20 5 FFBDRO C[C@@H]1CN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CC[N@@H+](C2CC2)C1 ZINC001468522754 1063999861 /nfs/dbraw/zinc/99/98/61/1063999861.db2.gz OJIUODUOSRKDCY-HNNXBMFYSA-N 1 0 357.454 2.959 20 5 FFBDRO CC(C)(C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1)c1ccccc1[N+](=O)[O-] ZINC001575089118 1078105493 /nfs/dbraw/zinc/10/54/93/1078105493.db2.gz JZAJAOWGFVAZGT-DOTOQJQBSA-N 1 0 371.412 2.965 20 5 FFBDRO CC(C)(C[NH3+])C1CCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 ZINC001575310984 1078128308 /nfs/dbraw/zinc/12/83/08/1078128308.db2.gz QHMQSFBRSUTCFQ-UHFFFAOYSA-N 1 0 358.442 2.773 20 5 FFBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@H]3COC4(CCCCC4)O3)CC2)n1 ZINC001473442245 1065262765 /nfs/dbraw/zinc/26/27/65/1065262765.db2.gz ZZRHTDJQPMWQBF-HNNXBMFYSA-N 1 0 350.419 2.504 20 5 FFBDRO Cn1cc(CN2C[C@]3(C)C[NH+](Cc4ccccc4)C[C@@]3(C)C2)c([N+](=O)[O-])n1 ZINC001473718104 1065329946 /nfs/dbraw/zinc/32/99/46/1065329946.db2.gz FCISOGRZAFEJFH-PMACEKPBSA-N 1 0 369.469 2.672 20 5 FFBDRO COc1ccc(NC(=O)CC[NH2+][C@H](C)Cc2cccnc2)c([N+](=O)[O-])c1 ZINC001473875562 1065400867 /nfs/dbraw/zinc/40/08/67/1065400867.db2.gz YYSHFEOJTLYPHX-CYBMUJFWSA-N 1 0 358.398 2.548 20 5 FFBDRO CC1(C)CCC[C@@H]([NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001473998529 1065437631 /nfs/dbraw/zinc/43/76/31/1065437631.db2.gz AYXZPOGORDCIEX-CQSZACIVSA-N 1 0 369.487 2.822 20 5 FFBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NCc1c(Br)cccc1[N+](=O)[O-] ZINC001474060810 1065449083 /nfs/dbraw/zinc/44/90/83/1065449083.db2.gz BJPMDCKOBHMODW-YGRLFVJLSA-N 1 0 354.248 2.930 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC001474824866 1065618251 /nfs/dbraw/zinc/61/82/51/1065618251.db2.gz MARMLBCCIYNYDM-INIZCTEOSA-N 1 0 369.487 2.692 20 5 FFBDRO CC[NH2+]CC1CCN(C(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)CC1 ZINC001577834145 1078406058 /nfs/dbraw/zinc/40/60/58/1078406058.db2.gz QDMPORAVRVJMAK-UHFFFAOYSA-N 1 0 356.426 2.792 20 5 FFBDRO CN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCC[NH2+]1)C1CCC1 ZINC001578508134 1078485339 /nfs/dbraw/zinc/48/53/39/1078485339.db2.gz BIYKSMALIZCZFX-AWEZNQCLSA-N 1 0 356.430 2.594 20 5 FFBDRO C[NH+](C)[C@H](CNc1cccc(-c2nn[nH]n2)c1[N+](=O)[O-])c1ccc(F)cc1 ZINC001578962303 1078555038 /nfs/dbraw/zinc/55/50/38/1078555038.db2.gz MYEACFDIKZTAOT-OAHLLOKOSA-N 1 0 371.376 2.629 20 5 FFBDRO Cc1c(Br)cc(C(=O)N2CC[C@@H]([NH3+])C[C@@H]2C)cc1[N+](=O)[O-] ZINC001579516133 1078638321 /nfs/dbraw/zinc/63/83/21/1078638321.db2.gz GLLGAFLUYBDATF-GZMMTYOYSA-N 1 0 356.220 2.618 20 5 FFBDRO Cc1cc(NC(=O)c2cccc(C[NH3+])c2)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001579635163 1078652790 /nfs/dbraw/zinc/65/27/90/1078652790.db2.gz OYPQORHZOMKENP-UHFFFAOYSA-N 1 0 351.366 2.800 20 5 FFBDRO [NH3+][C@H]1C[C@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C12CCC2 ZINC001580163085 1078758864 /nfs/dbraw/zinc/75/88/64/1078758864.db2.gz KDEYETUCTRGWTK-RYUDHWBXSA-N 1 0 356.329 2.588 20 5 FFBDRO [NH3+]C[C@@]12CC[C@H]1CCCN2C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001580249853 1078774373 /nfs/dbraw/zinc/77/43/73/1078774373.db2.gz DBFNSBCKSFFJAU-BMIGLBTASA-N 1 0 357.332 2.957 20 5 FFBDRO [NH3+][C@@H]1CN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C[C@H]1c1cccc(F)c1 ZINC001580391276 1078795791 /nfs/dbraw/zinc/79/57/91/1078795791.db2.gz ZONQVPSGPLPVDG-QQSUMNJZSA-N 1 0 355.369 2.700 20 5 FFBDRO [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC001580402416 1078797795 /nfs/dbraw/zinc/79/77/95/1078797795.db2.gz XNDXCADDSUKJGI-DLBZAZTESA-N 1 0 363.377 2.847 20 5 FFBDRO Nc1cccc2c1CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C2 ZINC001580458998 1078809305 /nfs/dbraw/zinc/80/93/05/1078809305.db2.gz NDIMFHQFMIDGIM-UHFFFAOYSA-N 1 0 358.373 2.703 20 5 FFBDRO Cc1cc(C(=O)N2CC[NH2+][C@H](Cc3ccc(F)cc3)C2)ccc1[N+](=O)[O-] ZINC001557728800 1075880970 /nfs/dbraw/zinc/88/09/70/1075880970.db2.gz ZHOMUCGJBZWMBX-QGZVFWFLSA-N 1 0 357.385 2.699 20 5 FFBDRO C[C@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC001585777758 1079500221 /nfs/dbraw/zinc/50/02/21/1079500221.db2.gz YDZMRRDJJTYACN-WBVHZDCISA-N 1 0 362.474 2.976 20 5 FFBDRO C[C@@H]1CN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC[N@@H+]1C1CCCC1 ZINC001558321148 1075981036 /nfs/dbraw/zinc/98/10/36/1075981036.db2.gz JYOJFWGZICEZFL-GFCCVEGCSA-N 1 0 357.414 2.560 20 5 FFBDRO CCOC(=O)c1cc([N+](=O)[O-])c(NC[C@@]2([NH+](C)C)CCSC2)cc1C ZINC001559126079 1076127924 /nfs/dbraw/zinc/12/79/24/1076127924.db2.gz ULTOGKYMGGDVFB-KRWDZBQOSA-N 1 0 367.471 2.929 20 5 FFBDRO Cn1c2ccccc2c(NCC2(C[NH+](C)C)CCCC2)c([N+](=O)[O-])c1=O ZINC001559161880 1076131317 /nfs/dbraw/zinc/13/13/17/1076131317.db2.gz OQYRTTBZKBTPAJ-UHFFFAOYSA-N 1 0 358.442 2.981 20 5 FFBDRO C[NH+](C)CCn1cc(Nc2c3cc(Cl)ccc3ncc2[N+](=O)[O-])cn1 ZINC001559223113 1076136587 /nfs/dbraw/zinc/13/65/87/1076136587.db2.gz YSRWSGZSCGGJNH-UHFFFAOYSA-N 1 0 360.805 2.720 20 5 FFBDRO COC(=O)[C@@H]1CCCC[C@@H]1C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001559482458 1076165786 /nfs/dbraw/zinc/16/57/86/1076165786.db2.gz DYFHHRAFDBRZTD-CRAIPNDOSA-N 1 0 361.442 2.696 20 5 FFBDRO C[C@H]1CC[N@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)[C@H]1CO ZINC001559753926 1076187880 /nfs/dbraw/zinc/18/78/80/1076187880.db2.gz XUPROBMXIIYKKT-ZANVPECISA-N 1 0 352.778 2.501 20 5 FFBDRO COC(=O)[C@]12CCC[C@H]1[N@H+](Cc1nnc(-c3ccccc3[N+](=O)[O-])o1)CC2 ZINC001560125838 1076230934 /nfs/dbraw/zinc/23/09/34/1076230934.db2.gz OSDVWHHZXGDOIR-KDOFPFPSSA-N 1 0 372.381 2.562 20 5 FFBDRO COc1ccc2c(c1)CC[C@H]([NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-])C2 ZINC001560704954 1076292944 /nfs/dbraw/zinc/29/29/44/1076292944.db2.gz ATHDUTLCJDXRCV-HNNXBMFYSA-N 1 0 358.394 2.965 20 5 FFBDRO CCN(CCC[NH+](CC)CC)S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC001561472141 1076380670 /nfs/dbraw/zinc/38/06/70/1076380670.db2.gz VTSMLQNPTJRWTD-UHFFFAOYSA-N 1 0 371.503 2.954 20 5 FFBDRO CCOc1cc(NC(=O)NC[C@H]2CC[N@@H+]2CC)c([N+](=O)[O-])cc1OCC ZINC001562067174 1076474168 /nfs/dbraw/zinc/47/41/68/1076474168.db2.gz FDDMGGJTWQVFAM-GFCCVEGCSA-N 1 0 366.418 2.608 20 5 FFBDRO Cc1ccc(CNC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)cc1[N+](=O)[O-] ZINC001562714883 1076512281 /nfs/dbraw/zinc/51/22/81/1076512281.db2.gz CHZLCYSHTRRLJJ-UHFFFAOYSA-N 1 0 372.429 2.688 20 5 FFBDRO CN(CC[N@H+](C)C1CC1)C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001567742637 1077050032 /nfs/dbraw/zinc/05/00/32/1077050032.db2.gz YHJRYFXEJUGPFT-UHFFFAOYSA-N 1 0 354.410 2.823 20 5 FFBDRO Cc1cc(F)cc(C(=O)N2CC[NH2+][C@H](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC001586883247 1079700004 /nfs/dbraw/zinc/70/00/04/1079700004.db2.gz IUZXTDUWMBGKSF-MRXNPFEDSA-N 1 0 357.385 2.699 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1cc(N2CC[NH+](C)CC2)ccn1 ZINC001587113760 1079739748 /nfs/dbraw/zinc/73/97/48/1079739748.db2.gz HTCCVEUVJWONFY-UHFFFAOYSA-N 1 0 369.425 2.611 20 5 FFBDRO C[C@H](Nc1cc(-c2nn[nH]n2)sc1[N+](=O)[O-])[C@H](c1ccccc1)[NH+](C)C ZINC001589980977 1080919873 /nfs/dbraw/zinc/91/98/73/1080919873.db2.gz RUPHYPNWYXIRTA-IINYFYTJSA-N 1 0 373.442 2.940 20 5 FFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@@H](O)c1cccc(-c2nn[nH]n2)c1 ZINC001590052744 1080980644 /nfs/dbraw/zinc/98/06/44/1080980644.db2.gz TXBFOOOEOPNKBE-SJKOYZFVSA-N 1 0 368.397 2.501 20 5 FFBDRO CC(C)[C@H](CNc1cc(-c2nn[nH]n2)ccc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC001590268920 1081133616 /nfs/dbraw/zinc/13/36/16/1081133616.db2.gz GZCGBTKJEVNAPV-KRWDZBQOSA-N 1 0 373.461 2.943 20 5 FFBDRO COc1ccc(C(=O)N2C[C@H]([NH+](C)C)Cc3ccccc32)cc1[N+](=O)[O-] ZINC000067208515 249683669 /nfs/dbraw/zinc/68/36/69/249683669.db2.gz DCIRCUVGCJQUIW-OAHLLOKOSA-N 1 0 355.394 2.737 20 5 FFBDRO Cn1cc(C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093505007 250036140 /nfs/dbraw/zinc/03/61/40/250036140.db2.gz NEXZDZKYNBWMQE-CRAIPNDOSA-N 1 0 356.426 2.996 20 5 FFBDRO Cn1cc(C[N@H+](C[C@H]2CCOC2)C2CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000129901499 250867249 /nfs/dbraw/zinc/86/72/49/250867249.db2.gz SWECGYWJTCMRBB-CQSZACIVSA-N 1 0 356.426 2.996 20 5 FFBDRO CC[C@H]([NH2+]Cc1cccc(S(=O)(=O)NC)c1)c1cccc([N+](=O)[O-])c1 ZINC000132037153 251041033 /nfs/dbraw/zinc/04/10/33/251041033.db2.gz DHUOCGHJUFQWGH-KRWDZBQOSA-N 1 0 363.439 2.744 20 5 FFBDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000186782183 251263888 /nfs/dbraw/zinc/26/38/88/251263888.db2.gz AXEBWTLYUVACEM-GWCFXTLKSA-N 1 0 374.363 2.530 20 5 FFBDRO CCCc1n[nH]c(C(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)c1[N+](=O)[O-] ZINC000192548470 251288492 /nfs/dbraw/zinc/28/84/92/251288492.db2.gz WQTQIJVUHZZIRU-MRXNPFEDSA-N 1 0 367.409 2.853 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2noc(CN3CC[C@@H]([NH+]4CCCCC4)C3)n2)c1 ZINC000264627268 251328622 /nfs/dbraw/zinc/32/86/22/251328622.db2.gz SUHKSVKEXPQVIN-MRXNPFEDSA-N 1 0 357.414 2.705 20 5 FFBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2cccc(S(N)(=O)=O)c2)cc1[N+](=O)[O-] ZINC000271697299 251855487 /nfs/dbraw/zinc/85/54/87/251855487.db2.gz LBNRRTJCLDJSSJ-CHWSQXEVSA-N 1 0 363.439 2.962 20 5 FFBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000272425325 252034814 /nfs/dbraw/zinc/03/48/14/252034814.db2.gz CARKBRLVZRYJET-BLLLJJGKSA-N 1 0 366.849 2.874 20 5 FFBDRO CC(C)[NH2+]C1CCN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000272571702 252071026 /nfs/dbraw/zinc/07/10/26/252071026.db2.gz TYNYHIVEPRDMCW-UHFFFAOYSA-N 1 0 368.865 2.963 20 5 FFBDRO Cc1c(C(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000273204593 252248848 /nfs/dbraw/zinc/24/88/48/252248848.db2.gz AJEODNGLUMMAJQ-GFCCVEGCSA-N 1 0 364.402 2.614 20 5 FFBDRO O=[N+]([O-])c1cnn(CCc2nc(-c3cccc(C[NH+]4CCCC4)c3)no2)c1 ZINC000273936118 255812643 /nfs/dbraw/zinc/81/26/43/255812643.db2.gz SUKBRNUHEFCKAG-UHFFFAOYSA-N 1 0 368.397 2.680 20 5 FFBDRO COC1CCC([N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000275468193 256011613 /nfs/dbraw/zinc/01/16/13/256011613.db2.gz LFHTVEDDYHNOEG-UHFFFAOYSA-N 1 0 353.394 2.952 20 5 FFBDRO O=C(CCN1CC[C@H]([NH+]2CCCCC2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000275520989 256019792 /nfs/dbraw/zinc/01/97/92/256019792.db2.gz VMBNBGFQOMCFJC-HNNXBMFYSA-N 1 0 364.421 2.623 20 5 FFBDRO C[NH+](C)CCc1ccccc1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000275676807 256037318 /nfs/dbraw/zinc/03/73/18/256037318.db2.gz PRFNMGWJQTZRAJ-UHFFFAOYSA-N 1 0 371.393 2.722 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000276426668 256098709 /nfs/dbraw/zinc/09/87/09/256098709.db2.gz OVDJFWJGEGHXLN-UHFFFAOYSA-N 1 0 364.446 2.522 20 5 FFBDRO CCN(CCC[NH+]1CCCC1)C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000276440635 256100156 /nfs/dbraw/zinc/10/01/56/256100156.db2.gz KPGAXLOSPHNQDX-UHFFFAOYSA-N 1 0 364.446 2.621 20 5 FFBDRO Cc1c(C(=O)N2CCC[C@@H]([NH+](C)C)CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000277141893 256164635 /nfs/dbraw/zinc/16/46/35/256164635.db2.gz HTKDXWGSNDYPEP-CYBMUJFWSA-N 1 0 364.402 2.676 20 5 FFBDRO C[NH+](C)[C@H]1CCCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000277258754 256176941 /nfs/dbraw/zinc/17/69/41/256176941.db2.gz LDMNTIKGWAZLIB-ZDUSSCGKSA-N 1 0 351.422 2.954 20 5 FFBDRO Cc1ccc(C)c(S(=O)(=O)N(C)C2CC[NH+](C(C)C)CC2)c1[N+](=O)[O-] ZINC000276907981 256141900 /nfs/dbraw/zinc/14/19/00/256141900.db2.gz WTKXMBOKWGQQFV-UHFFFAOYSA-N 1 0 369.487 2.705 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCC(CO)(Cc3ccccc3)CC2)c1 ZINC000277791347 256239928 /nfs/dbraw/zinc/23/99/28/256239928.db2.gz OQZUOWJABHLDIC-HXUWFJFHSA-N 1 0 370.449 2.945 20 5 FFBDRO CCC[C@@]1(CO)CCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000277834424 256245448 /nfs/dbraw/zinc/24/54/48/256245448.db2.gz RRZLRGWBHQGEHR-SFHVURJKSA-N 1 0 365.430 2.559 20 5 FFBDRO O=[N+]([O-])c1ccc2[nH]c(NC3CC[NH+]([C@H]4CCCC[C@@H]4O)CC3)nc2c1 ZINC000278396360 256307675 /nfs/dbraw/zinc/30/76/75/256307675.db2.gz GGWMYPQOROQVKU-IRXDYDNUSA-N 1 0 359.430 2.651 20 5 FFBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000278326295 256300075 /nfs/dbraw/zinc/30/00/75/256300075.db2.gz VTANHRRGAONYKR-CABCVRRESA-N 1 0 360.458 2.701 20 5 FFBDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000278903135 256360220 /nfs/dbraw/zinc/36/02/20/256360220.db2.gz RVDRCUYQLFNNNO-LBPRGKRZSA-N 1 0 367.833 2.574 20 5 FFBDRO COc1ccc(NC(=O)C[N@@H+]2CCCCC[C@@H]2C[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000285942695 257012553 /nfs/dbraw/zinc/01/25/53/257012553.db2.gz MFEDGTZHQDNFEK-ZIAGYGMSSA-N 1 0 365.430 2.557 20 5 FFBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1c1ncc([N+](=O)[O-])cc1Br ZINC000286228990 257026766 /nfs/dbraw/zinc/02/67/66/257026766.db2.gz DNOWZTQWWLXXJV-CMPLNLGQSA-N 1 0 355.236 2.815 20 5 FFBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1c1c(Br)cncc1[N+](=O)[O-] ZINC000286310962 257030619 /nfs/dbraw/zinc/03/06/19/257030619.db2.gz KCXZMHQNVFDNKH-QWRGUYRKSA-N 1 0 355.236 2.815 20 5 FFBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000287074596 257070505 /nfs/dbraw/zinc/07/05/05/257070505.db2.gz KGGATAMFLOQUPL-SJKOYZFVSA-N 1 0 370.409 2.547 20 5 FFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)Nc2nc3c(s2)C[C@@H]([NH3+])CC3)c1 ZINC000288814341 257229799 /nfs/dbraw/zinc/22/97/99/257229799.db2.gz SVHTYJVHHNHPBP-QMMMGPOBSA-N 1 0 364.452 2.842 20 5 FFBDRO Cc1nc2ccccn2c(=O)c1CC[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000289387622 257277988 /nfs/dbraw/zinc/27/79/88/257277988.db2.gz MBPQYZNVLKAKGD-UHFFFAOYSA-N 1 0 366.421 2.628 20 5 FFBDRO COCCCC[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289734512 257296115 /nfs/dbraw/zinc/29/61/15/257296115.db2.gz DOCNOLPDLBKMAK-UHFFFAOYSA-N 1 0 364.183 2.716 20 5 FFBDRO COc1ccc(C[C@](C)(O)C[NH2+]Cc2ccccc2[N+](=O)[O-])cc1OC ZINC000289838198 257302172 /nfs/dbraw/zinc/30/21/72/257302172.db2.gz OSSKBPCEJSAUPU-IBGZPJMESA-N 1 0 360.410 2.695 20 5 FFBDRO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000290111928 257315998 /nfs/dbraw/zinc/31/59/98/257315998.db2.gz YJHOZHJQGLYGMF-OAHLLOKOSA-N 1 0 368.231 2.573 20 5 FFBDRO COc1ccc(NC(=O)CC[N@H+]2CC[C@@H](OC)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000295865568 257650093 /nfs/dbraw/zinc/65/00/93/257650093.db2.gz FHOOAVOYQZCSIZ-MRXNPFEDSA-N 1 0 365.430 2.679 20 5 FFBDRO COc1cc(C(=O)N(C)C2CC[NH+](C(C)C)CC2)c([N+](=O)[O-])cc1OC ZINC000298143857 257889047 /nfs/dbraw/zinc/88/90/47/257889047.db2.gz AXBCUYXKDVYOOS-UHFFFAOYSA-N 1 0 365.430 2.557 20 5 FFBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000301088475 258024267 /nfs/dbraw/zinc/02/42/67/258024267.db2.gz HPOMKYKMARCULQ-INIZCTEOSA-N 1 0 358.398 2.796 20 5 FFBDRO Cc1c(CO)cc([N+](=O)[O-])c(NC2CC[NH+](C(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000301111146 258026177 /nfs/dbraw/zinc/02/61/77/258026177.db2.gz VGBWPVQZNNHKKT-UHFFFAOYSA-N 1 0 366.418 2.979 20 5 FFBDRO Cc1c(CO)cc([N+](=O)[O-])c(NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000301120797 258026584 /nfs/dbraw/zinc/02/65/84/258026584.db2.gz SMDAVRFULWOKMB-VXGBXAGGSA-N 1 0 366.418 2.836 20 5 FFBDRO NC(=O)c1cc([N+](=O)[O-])cnc1NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000301158180 258029782 /nfs/dbraw/zinc/02/97/82/258029782.db2.gz CQUYVNDRDFFOHY-CQSZACIVSA-N 1 0 361.446 2.545 20 5 FFBDRO NC(=O)c1cc([N+](=O)[O-])cnc1NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000301158179 258030189 /nfs/dbraw/zinc/03/01/89/258030189.db2.gz CQUYVNDRDFFOHY-AWEZNQCLSA-N 1 0 361.446 2.545 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](Cc1ccccn1)C1CC1 ZINC000299509530 258000935 /nfs/dbraw/zinc/00/09/35/258000935.db2.gz CCNVPFDLTRNXDN-UHFFFAOYSA-N 1 0 370.409 2.992 20 5 FFBDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000302027092 258083100 /nfs/dbraw/zinc/08/31/00/258083100.db2.gz HDXAWDXUYXMICH-HUUCEWRRSA-N 1 0 358.446 2.728 20 5 FFBDRO CC[C@H]1CN(c2ccc3ncc([N+](=O)[O-])n3n2)CC[N@@H+]1Cc1ccccc1 ZINC000302175634 258093072 /nfs/dbraw/zinc/09/30/72/258093072.db2.gz WWODALCBFRPHMQ-INIZCTEOSA-N 1 0 366.425 2.738 20 5 FFBDRO Cc1cc(N[C@@H](C)CC[NH+]2CCN(C)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000302299918 258098589 /nfs/dbraw/zinc/09/85/89/258098589.db2.gz YGQWKKKCNDKVAA-AWEZNQCLSA-N 1 0 357.458 2.889 20 5 FFBDRO C[C@@H](O)C[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)[C@@H](C)C1 ZINC000302438395 258102030 /nfs/dbraw/zinc/10/20/30/258102030.db2.gz MRQSALZXLUXKPU-LSDHHAIUSA-N 1 0 356.426 2.548 20 5 FFBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC[N@@H+]1CC(C)(C)O ZINC000302465498 258102549 /nfs/dbraw/zinc/10/25/49/258102549.db2.gz BFNGXQMKZFVKFR-LLVKDONJSA-N 1 0 361.364 2.895 20 5 FFBDRO COC(=O)c1cnc(N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000302754116 258109787 /nfs/dbraw/zinc/10/97/87/258109787.db2.gz IANAVANBXGVGQX-XJKSGUPXSA-N 1 0 370.409 2.709 20 5 FFBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc([N+](=O)[O-])ccc1Br ZINC000317144151 258115752 /nfs/dbraw/zinc/11/57/52/258115752.db2.gz FOMPHKXUCMFDCN-QWRGUYRKSA-N 1 0 368.231 2.714 20 5 FFBDRO Cc1nc(Sc2nnc([C@H]3CCC[NH2+]C3)n2C2CC2)ccc1[N+](=O)[O-] ZINC000301667793 258062319 /nfs/dbraw/zinc/06/23/19/258062319.db2.gz PBWBCDXQYYSVHL-NSHDSACASA-N 1 0 360.443 2.843 20 5 FFBDRO Cc1nc(N[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)ccc1[N+](=O)[O-] ZINC000301736146 258065597 /nfs/dbraw/zinc/06/55/97/258065597.db2.gz VCAKYMNXXNUSGO-IRXDYDNUSA-N 1 0 356.426 2.593 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@H]2CCCC[N@H+]2C[C@@H]1C ZINC000332007013 258209643 /nfs/dbraw/zinc/20/96/43/258209643.db2.gz JJQONTLPJIUVJF-DOTOQJQBSA-N 1 0 360.458 2.790 20 5 FFBDRO C[C@H]1CCCN(c2ccc(C(=O)N3CC[C@@H](C[NH+](C)C)C3)cc2[N+](=O)[O-])C1 ZINC000332438446 258230731 /nfs/dbraw/zinc/23/07/31/258230731.db2.gz ZHVVDDQMRRVNMN-HOTGVXAUSA-N 1 0 374.485 2.855 20 5 FFBDRO Cc1ccc(NC(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)cc1[N+](=O)[O-] ZINC000332519503 258233449 /nfs/dbraw/zinc/23/34/49/258233449.db2.gz BQIZTQVIVDDTLG-DOTOQJQBSA-N 1 0 362.430 2.653 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000332529499 258233846 /nfs/dbraw/zinc/23/38/46/258233846.db2.gz GQTRXPFLSDOYRZ-NVXWUHKLSA-N 1 0 362.430 2.653 20 5 FFBDRO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000032072678 506228597 /nfs/dbraw/zinc/22/85/97/506228597.db2.gz QNNYNVCKBKECRN-SNVBAGLBSA-N 1 0 363.867 2.565 20 5 FFBDRO O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1cc([N+](=O)[O-])c[nH]1 ZINC000052966045 506286759 /nfs/dbraw/zinc/28/67/59/506286759.db2.gz URVVVIJCEKKKPR-UHFFFAOYSA-N 1 0 362.817 2.971 20 5 FFBDRO Cc1noc(C)c1CO[C@H]1CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000375157674 512187780 /nfs/dbraw/zinc/18/77/80/512187780.db2.gz GMNNRWBARAKSMD-FUHWJXTLSA-N 1 0 361.398 2.524 20 5 FFBDRO O=C(c1ccnc(-c2ccccc2)c1[N+](=O)[O-])N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000366807953 512194435 /nfs/dbraw/zinc/19/44/35/512194435.db2.gz POXBRXKBCQAANA-MRXNPFEDSA-N 1 0 366.421 2.967 20 5 FFBDRO C[NH+](C)C1CCC(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000421678479 513366491 /nfs/dbraw/zinc/36/64/91/513366491.db2.gz APDSBIPKFKPYFG-UHFFFAOYSA-N 1 0 370.247 2.960 20 5 FFBDRO CN(c1ccccc1)C1CC[NH+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000065956694 506400601 /nfs/dbraw/zinc/40/06/01/506400601.db2.gz SZBSMWCTCBKOQM-UHFFFAOYSA-N 1 0 368.437 2.795 20 5 FFBDRO Cc1ccc(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)cc1[N+](=O)[O-] ZINC000053991970 506473119 /nfs/dbraw/zinc/47/31/19/506473119.db2.gz LSXAJDUJDLSJJK-UHFFFAOYSA-N 1 0 357.410 2.774 20 5 FFBDRO C[N@H+](CCNC(=O)CSc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000054265665 506525922 /nfs/dbraw/zinc/52/59/22/506525922.db2.gz QIUOZLBNTCMXTC-UHFFFAOYSA-N 1 0 359.451 2.935 20 5 FFBDRO O=C(CCNc1ccccc1[N+](=O)[O-])NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000041797780 506552421 /nfs/dbraw/zinc/55/24/21/506552421.db2.gz XDZXXWPZUQJAFS-KRWDZBQOSA-N 1 0 372.425 2.943 20 5 FFBDRO CC(C)[N@H+](C)CC1CCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000054644302 506594838 /nfs/dbraw/zinc/59/48/38/506594838.db2.gz OKMATNSRGMMOSF-UHFFFAOYSA-N 1 0 362.474 2.899 20 5 FFBDRO Cc1noc(C2CC[NH+](CCC(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)n1 ZINC000054677869 506603148 /nfs/dbraw/zinc/60/31/48/506603148.db2.gz VOGCUHRJNNXWSN-UHFFFAOYSA-N 1 0 373.413 2.803 20 5 FFBDRO Cc1cccc(C[NH+]2CCN(c3nc4sccn4c3[N+](=O)[O-])CC2)c1 ZINC000008337303 506645001 /nfs/dbraw/zinc/64/50/01/506645001.db2.gz UPNYKSFHLAPAGK-UHFFFAOYSA-N 1 0 357.439 2.935 20 5 FFBDRO C[NH+](C)CCNC(=O)c1cccc(CNc2cccc(F)c2[N+](=O)[O-])c1 ZINC000066816354 506651375 /nfs/dbraw/zinc/65/13/75/506651375.db2.gz JFYGGJKZHHDQEE-UHFFFAOYSA-N 1 0 360.389 2.637 20 5 FFBDRO CC(C)(C)CC[NH+]1CCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000067377837 506850125 /nfs/dbraw/zinc/85/01/25/506850125.db2.gz MNAKCVXFXJWANS-SFHVURJKSA-N 1 0 374.485 2.754 20 5 FFBDRO CC1CC[NH+](CCNc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])CC1 ZINC000067383028 506854159 /nfs/dbraw/zinc/85/41/59/506854159.db2.gz CAGXQHWRDKVGTE-UHFFFAOYSA-N 1 0 371.441 2.703 20 5 FFBDRO C[C@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc2c(c1)OCO2 ZINC000067452212 506886763 /nfs/dbraw/zinc/88/67/63/506886763.db2.gz HAQUUDHGPZPEBU-BLLLJJGKSA-N 1 0 369.377 2.780 20 5 FFBDRO C[C@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc2c(c1)OCO2 ZINC000067452216 506886823 /nfs/dbraw/zinc/88/68/23/506886823.db2.gz HAQUUDHGPZPEBU-LRDDRELGSA-N 1 0 369.377 2.780 20 5 FFBDRO O=C(NCCC[N@@H+]1CCc2ccccc2C1)NCc1cccc([N+](=O)[O-])c1 ZINC000067536468 506916430 /nfs/dbraw/zinc/91/64/30/506916430.db2.gz GALLWURSRVUAQJ-UHFFFAOYSA-N 1 0 368.437 2.842 20 5 FFBDRO COc1cccc(CNC(=O)[C@@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000056196411 506959559 /nfs/dbraw/zinc/95/95/59/506959559.db2.gz BVKBUSTUIJJHCH-UONOGXRCSA-N 1 0 357.410 2.959 20 5 FFBDRO C[C@@H]([NH2+][C@@H](C)C(=O)NC(=O)NCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000056196652 506960156 /nfs/dbraw/zinc/96/01/56/506960156.db2.gz BVRDQGONCLVFIC-KGLIPLIRSA-N 1 0 370.409 2.660 20 5 FFBDRO COc1ccc(CC(=O)NC[C@H](c2cccs2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000067900347 507047190 /nfs/dbraw/zinc/04/71/90/507047190.db2.gz HYAXMDHWYMPOTA-CQSZACIVSA-N 1 0 363.439 2.627 20 5 FFBDRO CC[C@H](CNC(=O)c1cc([N+](=O)[O-])cnc1C)[N@@H+]1CCc2ccccc2C1 ZINC000046246584 507103972 /nfs/dbraw/zinc/10/39/72/507103972.db2.gz GTHDUUDKQDSMJQ-QGZVFWFLSA-N 1 0 368.437 2.865 20 5 FFBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000046281400 507111258 /nfs/dbraw/zinc/11/12/58/507111258.db2.gz GCJUPWYGIFSEND-UHFFFAOYSA-N 1 0 368.437 2.795 20 5 FFBDRO CC[NH+]1CCN(c2ccccc2NC(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000018890325 507151547 /nfs/dbraw/zinc/15/15/47/507151547.db2.gz YFBYZXOHXXKQID-UHFFFAOYSA-N 1 0 354.410 2.989 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000046722294 507182337 /nfs/dbraw/zinc/18/23/37/507182337.db2.gz SZVRIINKWZAXAU-UHFFFAOYSA-N 1 0 359.382 2.796 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000068353296 507199566 /nfs/dbraw/zinc/19/95/66/507199566.db2.gz LUXNZRHNOVOPBV-CHWSQXEVSA-N 1 0 369.849 2.864 20 5 FFBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NCC[N@@H+]2CCCC[C@@H]2C)cc1OC ZINC000046859955 507210308 /nfs/dbraw/zinc/21/03/08/507210308.db2.gz YNJZWEGFSPDWPO-ZDUSSCGKSA-N 1 0 365.430 2.606 20 5 FFBDRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000047142614 507272433 /nfs/dbraw/zinc/27/24/33/507272433.db2.gz NJUAWBQCDYHFFV-MRXNPFEDSA-N 1 0 374.485 2.802 20 5 FFBDRO C[C@H](CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)[N@H+](C)C1CC1 ZINC000057705540 507311779 /nfs/dbraw/zinc/31/17/79/507311779.db2.gz SOBMHICBXORJHT-LLVKDONJSA-N 1 0 360.439 2.931 20 5 FFBDRO Cc1ccc(C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)cc1[N+](=O)[O-] ZINC000023016049 507324599 /nfs/dbraw/zinc/32/45/99/507324599.db2.gz FUMFBLXWWHRFQE-UHFFFAOYSA-N 1 0 368.437 2.940 20 5 FFBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC2CC[NH+](C)CC2)CC1 ZINC000057801434 507331557 /nfs/dbraw/zinc/33/15/57/507331557.db2.gz SAFNFCXKODBHIK-UHFFFAOYSA-N 1 0 360.458 2.655 20 5 FFBDRO COc1cc(C(=O)Nc2cccc(C[NH+](C)C)c2)c([N+](=O)[O-])cc1OC ZINC000047453099 507336511 /nfs/dbraw/zinc/33/65/11/507336511.db2.gz GXIGPHCJZVJNKT-UHFFFAOYSA-N 1 0 359.382 2.926 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000069124323 507414551 /nfs/dbraw/zinc/41/45/51/507414551.db2.gz HFSTYAGEQNZXPU-OAHLLOKOSA-N 1 0 367.471 2.542 20 5 FFBDRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000059002846 507491351 /nfs/dbraw/zinc/49/13/51/507491351.db2.gz NCCZJBIQEMFIMF-UHFFFAOYSA-N 1 0 359.401 2.867 20 5 FFBDRO CCOc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000069476494 507497270 /nfs/dbraw/zinc/49/72/70/507497270.db2.gz GILLHGASBHBMLV-QGZVFWFLSA-N 1 0 369.421 2.998 20 5 FFBDRO CC[NH+](CC)CCN(CC(C)C)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000059829248 507503742 /nfs/dbraw/zinc/50/37/42/507503742.db2.gz NAUJUFLRDIBGAK-UHFFFAOYSA-N 1 0 371.503 2.724 20 5 FFBDRO C[C@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000025634427 507517443 /nfs/dbraw/zinc/51/74/43/507517443.db2.gz RWLDIZSBRMDWOF-OAHLLOKOSA-N 1 0 353.422 2.700 20 5 FFBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1C[C@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000061164856 507601124 /nfs/dbraw/zinc/60/11/24/507601124.db2.gz XDHMNPIFHCVHEJ-MRXNPFEDSA-N 1 0 369.425 2.501 20 5 FFBDRO C[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(F)c(F)c1 ZINC000026713221 507604223 /nfs/dbraw/zinc/60/42/23/507604223.db2.gz XIWLHQOHSZOVIU-SMDDNHRTSA-N 1 0 352.337 2.964 20 5 FFBDRO O=C(NCCNc1ccccc1[N+](=O)[O-])[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000050025578 507652852 /nfs/dbraw/zinc/65/28/52/507652852.db2.gz XRLFZMZFYRHJDP-IBGZPJMESA-N 1 0 368.437 2.788 20 5 FFBDRO CCOc1cc(C(=O)N[C@H](C)C[NH+]2CCCCC2)c([N+](=O)[O-])cc1OC ZINC000027756096 507681829 /nfs/dbraw/zinc/68/18/29/507681829.db2.gz IWOSNJOVEJBHEZ-CYBMUJFWSA-N 1 0 365.430 2.606 20 5 FFBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000027771743 507684481 /nfs/dbraw/zinc/68/44/81/507684481.db2.gz BFYGIYAGYOXOAW-HNNXBMFYSA-N 1 0 360.458 2.799 20 5 FFBDRO Cc1n[nH]c(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)c1[N+](=O)[O-] ZINC000072061726 507742785 /nfs/dbraw/zinc/74/27/85/507742785.db2.gz IELJIJQMGBWUBC-UHFFFAOYSA-N 1 0 371.441 2.932 20 5 FFBDRO O=C(COc1ccccc1[N+](=O)[O-])NCCC[N@@H+]1CCc2ccccc2C1 ZINC000029838519 507792627 /nfs/dbraw/zinc/79/26/27/507792627.db2.gz FZRIIZUZDOGHCE-UHFFFAOYSA-N 1 0 369.421 2.538 20 5 FFBDRO Cc1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccccn2)cc1[N+](=O)[O-] ZINC000107372893 507847893 /nfs/dbraw/zinc/84/78/93/507847893.db2.gz ZMRPEGRHEPKZCU-UHFFFAOYSA-N 1 0 357.414 2.894 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)c2ncccc12 ZINC000078250034 507850071 /nfs/dbraw/zinc/85/00/71/507850071.db2.gz TUTOKZYDXXCUIA-HNNXBMFYSA-N 1 0 356.426 2.692 20 5 FFBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000072759323 507850140 /nfs/dbraw/zinc/85/01/40/507850140.db2.gz SRIYIEXNBAZHON-HNNXBMFYSA-N 1 0 359.430 2.951 20 5 FFBDRO CC[NH+](CC)C[C@H]1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000072824021 507858466 /nfs/dbraw/zinc/85/84/66/507858466.db2.gz VCPINGXKFPAKTP-CQSZACIVSA-N 1 0 359.430 2.809 20 5 FFBDRO CNC(=O)C1CC[NH+](Cc2cc(=O)oc3ccc4ccccc4c23)CC1 ZINC000073157730 507899308 /nfs/dbraw/zinc/89/93/08/507899308.db2.gz FIFCTVCUTBOXBL-UHFFFAOYSA-N 1 0 350.418 2.904 20 5 FFBDRO CC[NH+](CC)CCOC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000073247672 507907305 /nfs/dbraw/zinc/90/73/05/507907305.db2.gz NDQHCCYSFFYIJH-UHFFFAOYSA-N 1 0 367.421 2.697 20 5 FFBDRO C[C@@H](CNc1ccc([N+](=O)[O-])c(-c2ccccc2)n1)N1CC[NH+](C)CC1 ZINC000090089314 507907879 /nfs/dbraw/zinc/90/78/79/507907879.db2.gz LSUBOSLTBCFONF-HNNXBMFYSA-N 1 0 355.442 2.705 20 5 FFBDRO Cc1cccc(NC2CC[NH+](CCn3cc([N+](=O)[O-])ccc3=O)CC2)c1 ZINC000090554593 507927558 /nfs/dbraw/zinc/92/75/58/507927558.db2.gz BDFVQUCRYWBFEH-UHFFFAOYSA-N 1 0 356.426 2.641 20 5 FFBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000109317277 507954927 /nfs/dbraw/zinc/95/49/27/507954927.db2.gz BBIOBLOUEGCNLI-QGZVFWFLSA-N 1 0 360.389 2.808 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(n2ccnc2)CC1 ZINC000109794364 507988032 /nfs/dbraw/zinc/98/80/32/507988032.db2.gz YSKPSHLHRKURNH-UHFFFAOYSA-N 1 0 357.414 2.765 20 5 FFBDRO COc1cc(N2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000091478520 507988962 /nfs/dbraw/zinc/98/89/62/507988962.db2.gz CYMWFYKTGCVKBH-HUUCEWRRSA-N 1 0 363.458 2.929 20 5 FFBDRO CCc1nn(C)c(N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000091730777 508005742 /nfs/dbraw/zinc/00/57/42/508005742.db2.gz ROIMUJUWPAIFOS-MRXNPFEDSA-N 1 0 357.458 2.992 20 5 FFBDRO CCC[N@H+](CC)CCNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000079912181 508014584 /nfs/dbraw/zinc/01/45/84/508014584.db2.gz MRQTXYPYENXUFZ-UHFFFAOYSA-N 1 0 358.236 2.819 20 5 FFBDRO COc1ccccc1[C@H](CNc1ncc([N+](=O)[O-])c(N)n1)[NH+]1CCCCC1 ZINC000079948246 508018164 /nfs/dbraw/zinc/01/81/64/508018164.db2.gz BZQOIFHDOCTWMF-AWEZNQCLSA-N 1 0 372.429 2.615 20 5 FFBDRO C[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2C(N)=O)CC[N@@H+]1Cc1ccccc1 ZINC000080230703 508054385 /nfs/dbraw/zinc/05/43/85/508054385.db2.gz ZEJJLJIALRSMQQ-DZGCQCFKSA-N 1 0 369.425 2.554 20 5 FFBDRO CN(Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C[C@H]1CCC[N@H+](C)C1 ZINC000092253380 508054719 /nfs/dbraw/zinc/05/47/19/508054719.db2.gz YIYDRPRMEWKNCA-HNNXBMFYSA-N 1 0 357.458 2.769 20 5 FFBDRO Cc1cc([N+](=O)[O-])cnc1NCc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000092609186 508086466 /nfs/dbraw/zinc/08/64/66/508086466.db2.gz YLSKSEQNNOLABX-UHFFFAOYSA-N 1 0 355.442 2.658 20 5 FFBDRO CCC[N@H+](CC)CCNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000080677941 508094534 /nfs/dbraw/zinc/09/45/34/508094534.db2.gz HAYYPOVKSULSFE-UHFFFAOYSA-N 1 0 359.430 2.703 20 5 FFBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3cccc(-n4cccn4)c3)C2)nc1 ZINC000093534243 508147871 /nfs/dbraw/zinc/14/78/71/508147871.db2.gz IAYYGOAXTWWLPC-INIZCTEOSA-N 1 0 364.409 2.862 20 5 FFBDRO CCN1CC[NH+](C[C@H](C)CNc2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000112075078 508148723 /nfs/dbraw/zinc/14/87/23/508148723.db2.gz DFJWOUWXVSPFKB-OAHLLOKOSA-N 1 0 357.458 2.829 20 5 FFBDRO CC[C@H](CO)[NH+]1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000093740012 508154005 /nfs/dbraw/zinc/15/40/05/508154005.db2.gz BCMAWCPTKDEBHI-OAHLLOKOSA-N 1 0 359.426 2.743 20 5 FFBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)C1 ZINC000081333787 508163811 /nfs/dbraw/zinc/16/38/11/508163811.db2.gz XGXQRHPEJXOUEZ-ZDUSSCGKSA-N 1 0 364.402 2.615 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C2(c3nccs3)CCCC2)c1 ZINC000081595229 508195079 /nfs/dbraw/zinc/19/50/79/508195079.db2.gz FVJNBBORHABYBP-CQSZACIVSA-N 1 0 363.439 2.850 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCSC(C)(C)C1 ZINC000083415813 508245339 /nfs/dbraw/zinc/24/53/39/508245339.db2.gz GHUZKZKTDYFLMP-UHFFFAOYSA-N 1 0 353.444 2.759 20 5 FFBDRO CC[NH+]1CCC(N(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000077249613 508292149 /nfs/dbraw/zinc/29/21/49/508292149.db2.gz MZQZBIKRVUMHBJ-UHFFFAOYSA-N 1 0 354.838 2.603 20 5 FFBDRO CC(C)C[C@@H](CNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000114377780 508308528 /nfs/dbraw/zinc/30/85/28/508308528.db2.gz YJIYDSGRQYJPPN-INIZCTEOSA-N 1 0 373.457 2.701 20 5 FFBDRO CC1(C)CC(NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CC(C)(C)[NH2+]1 ZINC000087033019 508332606 /nfs/dbraw/zinc/33/26/06/508332606.db2.gz BKDJQOOCLLIQDS-UHFFFAOYSA-N 1 0 360.458 2.972 20 5 FFBDRO CCOc1ccc([C@H](C)[NH2+]CC(C)(C)N2CCOCC2)cc1[N+](=O)[O-] ZINC000152586291 508474526 /nfs/dbraw/zinc/47/45/26/508474526.db2.gz FAWOLMJFJRAGAP-AWEZNQCLSA-N 1 0 351.447 2.755 20 5 FFBDRO Cc1c(CC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cccc1[N+](=O)[O-] ZINC000134078953 508490055 /nfs/dbraw/zinc/49/00/55/508490055.db2.gz XWBPAHZHUKUXKQ-LPHOPBHVSA-N 1 0 357.454 2.921 20 5 FFBDRO C[N@@H+]1CCCC[C@H]1CN1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000116279128 508493919 /nfs/dbraw/zinc/49/39/19/508493919.db2.gz DNSIEBCKOIAIML-KRWDZBQOSA-N 1 0 366.893 2.850 20 5 FFBDRO C[C@H](N[C@H](CC[NH+](C)C)C(C)(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000116395854 508506210 /nfs/dbraw/zinc/50/62/10/508506210.db2.gz IQPWOBUXDHCCFB-XJKSGUPXSA-N 1 0 350.463 2.878 20 5 FFBDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC1 ZINC000116454511 508516234 /nfs/dbraw/zinc/51/62/34/508516234.db2.gz QIPFPGCZYDWNPT-CYBMUJFWSA-N 1 0 370.409 2.651 20 5 FFBDRO O=C(NC1CC1)[C@H](c1ccccc1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153115548 508549130 /nfs/dbraw/zinc/54/91/30/508549130.db2.gz YTZRCNPSXDJPIB-IBGZPJMESA-N 1 0 351.406 2.973 20 5 FFBDRO CCOC[C@H]1CCC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000117341909 508593636 /nfs/dbraw/zinc/59/36/36/508593636.db2.gz DKNYGRIUVMRTDD-AWEZNQCLSA-N 1 0 363.414 2.641 20 5 FFBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCN2CCOC)cc1[N+](=O)[O-] ZINC000153553665 508595788 /nfs/dbraw/zinc/59/57/88/508595788.db2.gz YVEAPJWMEWWIOJ-ZBFHGGJFSA-N 1 0 351.447 2.755 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000122932851 508609427 /nfs/dbraw/zinc/60/94/27/508609427.db2.gz VDTJTUJMJSIOIE-ZDUSSCGKSA-N 1 0 350.419 2.989 20 5 FFBDRO CC[C@@H](O)[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000128687582 508629064 /nfs/dbraw/zinc/62/90/64/508629064.db2.gz PANLCJGDJSBBKI-JKSUJKDBSA-N 1 0 353.394 2.688 20 5 FFBDRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000128762846 508640737 /nfs/dbraw/zinc/64/07/37/508640737.db2.gz UGFMBEWJAPHMKP-UHFFFAOYSA-N 1 0 357.414 2.724 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000153893733 508671829 /nfs/dbraw/zinc/67/18/29/508671829.db2.gz MNGYZXQYSGAADZ-DYVFJYSZSA-N 1 0 359.426 2.692 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000118829712 508680487 /nfs/dbraw/zinc/68/04/87/508680487.db2.gz LSOALNOAJFLTRN-QGZVFWFLSA-N 1 0 360.458 2.792 20 5 FFBDRO C[C@@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CN(C)CCO1 ZINC000129100262 508683241 /nfs/dbraw/zinc/68/32/41/508683241.db2.gz LMFMKOHYXQNCLN-MLGOLLRUSA-N 1 0 362.455 2.527 20 5 FFBDRO O=C(CC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)Nc1cccc(F)c1 ZINC000118866461 508688461 /nfs/dbraw/zinc/68/84/61/508688461.db2.gz HZFLEDVYHICCGH-HNNXBMFYSA-N 1 0 373.388 2.644 20 5 FFBDRO C[NH+](C)Cc1cccc(CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)c1 ZINC000129135719 508688777 /nfs/dbraw/zinc/68/87/77/508688777.db2.gz CTYNMJMJUNPFGY-UHFFFAOYSA-N 1 0 366.421 2.997 20 5 FFBDRO C[N@@H+]1CCCC[C@H]1CN1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000119024031 508708573 /nfs/dbraw/zinc/70/85/73/508708573.db2.gz YNHMLBMVTKCZFR-HNNXBMFYSA-N 1 0 366.893 2.850 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000154100338 508717064 /nfs/dbraw/zinc/71/70/64/508717064.db2.gz PMKRVMUJCUCJMA-GUYCJALGSA-N 1 0 359.426 2.692 20 5 FFBDRO CCCC[N@H+](C)CC1CCN(C(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000123661658 508722081 /nfs/dbraw/zinc/72/20/81/508722081.db2.gz HEQYXSXCAHYJRW-UHFFFAOYSA-N 1 0 363.458 2.944 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCC(c3nnc4ccccn43)CC2)c1 ZINC000154246233 508744692 /nfs/dbraw/zinc/74/46/92/508744692.db2.gz UFXWDWOCOMANGS-QGZVFWFLSA-N 1 0 367.409 2.551 20 5 FFBDRO C[C@@H](CNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)[N@@H+]1CCC[C@H](C)C1 ZINC000124119392 508785997 /nfs/dbraw/zinc/78/59/97/508785997.db2.gz CKCFWNCEUNXKAI-GJZGRUSLSA-N 1 0 360.458 2.783 20 5 FFBDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000124500764 508842668 /nfs/dbraw/zinc/84/26/68/508842668.db2.gz RIBLJOYSEATWEQ-CQSZACIVSA-N 1 0 367.421 2.597 20 5 FFBDRO C[NH+](C)[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1F)Cc1ccccc1 ZINC000124569932 508853097 /nfs/dbraw/zinc/85/30/97/508853097.db2.gz OCGOVSIBJHOYJQ-KRWDZBQOSA-N 1 0 359.401 2.566 20 5 FFBDRO COc1ccc([C@@H]2CCC[N@@H+]2CCn2cc([N+](=O)[O-])ccc2=O)c(OC)c1 ZINC000159702671 508877242 /nfs/dbraw/zinc/87/72/42/508877242.db2.gz IIUQSTKZMMISAS-KRWDZBQOSA-N 1 0 373.409 2.611 20 5 FFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC000124828677 508890836 /nfs/dbraw/zinc/89/08/36/508890836.db2.gz XTXBBTQKNCESHO-YVEFUNNKSA-N 1 0 361.373 2.774 20 5 FFBDRO C[C@@H]1SCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@H]1c1ccccc1 ZINC000159834034 508898682 /nfs/dbraw/zinc/89/86/82/508898682.db2.gz ZPMWIUJVEGKWOU-KBXCAEBGSA-N 1 0 359.451 2.935 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2noc(CN3CC[C@@H](C[NH+]4CCCC4)C3)n2)c1 ZINC000150817901 508899825 /nfs/dbraw/zinc/89/98/25/508899825.db2.gz ZJDFGVZGIJCNGX-AWEZNQCLSA-N 1 0 357.414 2.563 20 5 FFBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000159855679 508900747 /nfs/dbraw/zinc/90/07/47/508900747.db2.gz BDDREKZQTNJVLV-OAHLLOKOSA-N 1 0 359.451 2.871 20 5 FFBDRO COc1ccc(-c2ccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)o2)c([N+](=O)[O-])c1 ZINC000155006074 508902661 /nfs/dbraw/zinc/90/26/61/508902661.db2.gz ZSBPXGVGMFSBMK-GFCCVEGCSA-N 1 0 359.382 2.561 20 5 FFBDRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000159896191 508907418 /nfs/dbraw/zinc/90/74/18/508907418.db2.gz SVLIHYMWVYBWHJ-LLVKDONJSA-N 1 0 370.247 2.962 20 5 FFBDRO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000377740614 512427934 /nfs/dbraw/zinc/42/79/34/512427934.db2.gz DBYLOOGVPUBXKN-OAHLLOKOSA-N 1 0 358.442 2.631 20 5 FFBDRO C[NH+](C)Cc1ccnc(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)c1 ZINC000120328477 508973850 /nfs/dbraw/zinc/97/38/50/508973850.db2.gz ZGGCIAHZGLCJIC-UHFFFAOYSA-N 1 0 353.382 2.714 20 5 FFBDRO C[C@H]([NH2+][C@@H](C)C1CCOCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000125468218 508987634 /nfs/dbraw/zinc/98/76/34/508987634.db2.gz LDVXVUCUERZHND-QWRGUYRKSA-N 1 0 355.822 2.980 20 5 FFBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000125573972 509001425 /nfs/dbraw/zinc/00/14/25/509001425.db2.gz IASBJYOYKRJEOA-CRAIPNDOSA-N 1 0 358.442 2.753 20 5 FFBDRO COc1cc(C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000160661635 509016206 /nfs/dbraw/zinc/01/62/06/509016206.db2.gz BCUCTRHZSWRRIY-INIZCTEOSA-N 1 0 361.373 2.775 20 5 FFBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C[NH3+])C2CCCCC2)cc1OC ZINC000155644000 509044470 /nfs/dbraw/zinc/04/44/70/509044470.db2.gz QSGHDAWTGKUPEH-AWEZNQCLSA-N 1 0 365.430 2.640 20 5 FFBDRO CC(C)[NH+](CCCNC(=O)NCCc1cccc([N+](=O)[O-])c1)C(C)C ZINC000120745402 509057102 /nfs/dbraw/zinc/05/71/02/509057102.db2.gz NYRYXKZWGDNRHV-UHFFFAOYSA-N 1 0 350.463 2.945 20 5 FFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000151679021 509065237 /nfs/dbraw/zinc/06/52/37/509065237.db2.gz PLEGALFRQNCNCM-QGZVFWFLSA-N 1 0 362.430 2.704 20 5 FFBDRO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)Cc1ccccn1 ZINC000161188812 509082890 /nfs/dbraw/zinc/08/28/90/509082890.db2.gz XENXBQSGXKJRTO-UHFFFAOYSA-N 1 0 358.398 2.849 20 5 FFBDRO CCCC[NH+]1CCC(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000132869525 509085340 /nfs/dbraw/zinc/08/53/40/509085340.db2.gz XNOVFRSDGTZWLK-UHFFFAOYSA-N 1 0 358.442 2.999 20 5 FFBDRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000161478900 509120485 /nfs/dbraw/zinc/12/04/85/509120485.db2.gz UGSUHJOCLXUPLI-STQMWFEESA-N 1 0 363.439 2.915 20 5 FFBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000126741560 509120831 /nfs/dbraw/zinc/12/08/31/509120831.db2.gz WKSZFBPPBYIQKQ-KSSFIOAISA-N 1 0 372.469 2.750 20 5 FFBDRO CCCN(CC[NH+](C)C)C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000152089325 509144066 /nfs/dbraw/zinc/14/40/66/509144066.db2.gz ASYIZMITHPRWLI-UHFFFAOYSA-N 1 0 372.263 2.700 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N[C@H]3CCC[C@H]([NH3+])C3)cc2[N+](=O)[O-])CC1 ZINC000162237178 509181124 /nfs/dbraw/zinc/18/11/24/509181124.db2.gz QZROQTLWOSXNIP-HOTGVXAUSA-N 1 0 360.458 2.831 20 5 FFBDRO C[C@H]1C[NH+](CC2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)C[C@H](C)O1 ZINC000263846382 509183819 /nfs/dbraw/zinc/18/38/19/509183819.db2.gz XIIANHNCOMBFEI-GJZGRUSLSA-N 1 0 361.442 2.556 20 5 FFBDRO COc1ccc([C@H](CCO)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000182395053 509214147 /nfs/dbraw/zinc/21/41/47/509214147.db2.gz VTYJBOYWUGEZET-SFHVURJKSA-N 1 0 373.409 2.564 20 5 FFBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NC1CC[NH+](CC2CC2)CC1 ZINC000179005621 509222163 /nfs/dbraw/zinc/22/21/63/509222163.db2.gz RRVOCNIEDUXMDI-UHFFFAOYSA-N 1 0 356.426 2.609 20 5 FFBDRO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3c([N+](=O)[O-])cnn3C)cc2)C1 ZINC000162487867 509235355 /nfs/dbraw/zinc/23/53/55/509235355.db2.gz PDBOFASBCAIZFZ-CYBMUJFWSA-N 1 0 357.414 2.813 20 5 FFBDRO CCCC[NH+]1CCC(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000191897341 509235528 /nfs/dbraw/zinc/23/55/28/509235528.db2.gz XLVSILGIKQQWDC-UHFFFAOYSA-N 1 0 369.487 2.754 20 5 FFBDRO C[C@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@H]1COc2ccccc21 ZINC000185595069 509255018 /nfs/dbraw/zinc/25/50/18/509255018.db2.gz MCGDLCQBOPSQEO-SUMWQHHRSA-N 1 0 367.405 2.638 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCCN(c2ccccc2)CC1 ZINC000248374145 509279047 /nfs/dbraw/zinc/27/90/47/509279047.db2.gz OBLXXASTNBMIGX-GOSISDBHSA-N 1 0 371.437 2.547 20 5 FFBDRO CCc1ccc(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)cc1[N+](=O)[O-] ZINC000266966841 509282154 /nfs/dbraw/zinc/28/21/54/509282154.db2.gz XEHRZMGWAMJDKO-UHFFFAOYSA-N 1 0 368.437 2.947 20 5 FFBDRO C[C@@H]1C[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]2CCCC[C@@H]21 ZINC000248411195 509304938 /nfs/dbraw/zinc/30/49/38/509304938.db2.gz DNILVSZDFQBVSC-YRGRVCCFSA-N 1 0 361.398 2.773 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000248459699 509330994 /nfs/dbraw/zinc/33/09/94/509330994.db2.gz NUYVKSTYOAGTOZ-IAGOWNOFSA-N 1 0 357.410 2.521 20 5 FFBDRO CCS[C@@H]1CC[C@H]([N@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248461065 509332690 /nfs/dbraw/zinc/33/26/90/509332690.db2.gz OUSDZZUUMCWSGQ-RRFJBIMHSA-N 1 0 354.472 2.941 20 5 FFBDRO CCOC(=O)C[C@@H](C)[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000182663118 509356979 /nfs/dbraw/zinc/35/69/79/509356979.db2.gz MMMVEAXQFIAACK-CYBMUJFWSA-N 1 0 351.403 2.505 20 5 FFBDRO C[C@@H]1C[C@@H]([N@H+](C)CCn2ccc([N+](=O)[O-])n2)CCN1Cc1ccccc1 ZINC000176251022 509403348 /nfs/dbraw/zinc/40/33/48/509403348.db2.gz KBFZPODSEAHQJZ-AEFFLSMTSA-N 1 0 357.458 2.776 20 5 FFBDRO Cn1cc(C[N@@H+]2CCC[C@@H](C3OCCO3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000179366134 509403624 /nfs/dbraw/zinc/40/36/24/509403624.db2.gz OIZSKBOMNKEJEB-OAHLLOKOSA-N 1 0 372.425 2.580 20 5 FFBDRO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000192211011 509403934 /nfs/dbraw/zinc/40/39/34/509403934.db2.gz PUYDJSMYRJAXEF-IBGZPJMESA-N 1 0 369.421 2.616 20 5 FFBDRO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccccc1[N+](=O)[O-] ZINC000192210633 509404084 /nfs/dbraw/zinc/40/40/84/509404084.db2.gz JORRAPXWWDNUIR-QGZVFWFLSA-N 1 0 369.421 2.616 20 5 FFBDRO CCC[N@H+](C)C[C@@H]1CCN(CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000176271588 509413461 /nfs/dbraw/zinc/41/34/61/509413461.db2.gz SNWBGQRPRWEWBO-HNNXBMFYSA-N 1 0 351.447 2.646 20 5 FFBDRO C[C@H](NC(=O)CNc1ccccc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182821043 509442403 /nfs/dbraw/zinc/44/24/03/509442403.db2.gz OIFKCTLTOJQDGH-LSDHHAIUSA-N 1 0 360.458 2.776 20 5 FFBDRO C[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1N)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182841608 509455194 /nfs/dbraw/zinc/45/51/94/509455194.db2.gz VNFJQGBDRFUPQC-RYUDHWBXSA-N 1 0 364.421 2.699 20 5 FFBDRO C[NH+](C)CCN1CCN(C(=O)c2cc3ccccc3c3cccnc23)CC1 ZINC000192516350 509543985 /nfs/dbraw/zinc/54/39/85/509543985.db2.gz IDQHBYPBSAUIND-UHFFFAOYSA-N 1 0 362.477 2.707 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H](c2ccccc2)c2ccc(F)cc2)c1 ZINC000173368603 509557081 /nfs/dbraw/zinc/55/70/81/509557081.db2.gz ZWCLRCRIDRVHLF-RTBURBONSA-N 1 0 370.384 2.671 20 5 FFBDRO C[C@@H](CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)C[NH+]1CCCC1 ZINC000189449949 509581115 /nfs/dbraw/zinc/58/11/15/509581115.db2.gz IMELLEWIYHXZGJ-HNNXBMFYSA-N 1 0 360.458 2.975 20 5 FFBDRO C[NH2+]C[C@H](C)CNC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000237187644 509590825 /nfs/dbraw/zinc/59/08/25/509590825.db2.gz SKDFBBQWSMUXBS-KBPBESRZSA-N 1 0 371.441 2.748 20 5 FFBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCCCC[NH3+])cc1 ZINC000237312633 509619343 /nfs/dbraw/zinc/61/93/43/509619343.db2.gz AKSDLORKFPDXLN-UHFFFAOYSA-N 1 0 359.382 2.864 20 5 FFBDRO CCCc1n[nH]c(C(=O)NCc2cccc(C[N@H+](C)CC)c2)c1[N+](=O)[O-] ZINC000264667440 509634432 /nfs/dbraw/zinc/63/44/32/509634432.db2.gz KOXRTVKGCJPHML-UHFFFAOYSA-N 1 0 359.430 2.652 20 5 FFBDRO CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1Br)[C@@H]1CCC[N@H+](C)C1 ZINC000267920514 509670400 /nfs/dbraw/zinc/67/04/00/509670400.db2.gz JMMOXVYRTMKJSL-SNVBAGLBSA-N 1 0 374.210 2.663 20 5 FFBDRO C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])s1)[C@H](c1ccccc1)[NH+](C)C ZINC000192865742 509677858 /nfs/dbraw/zinc/67/78/58/509677858.db2.gz FYYQEGNUTUDYII-XHDPSFHLSA-N 1 0 369.468 2.626 20 5 FFBDRO CC(C)c1ccc(CN2CCN(CC[NH+]3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000192936326 509706256 /nfs/dbraw/zinc/70/62/56/509706256.db2.gz ZPYBNWNAIRAGJB-UHFFFAOYSA-N 1 0 360.502 2.932 20 5 FFBDRO COc1ccc(NC(=O)C[N@H+](C[C@H](C)O)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000170691373 509724887 /nfs/dbraw/zinc/72/48/87/509724887.db2.gz UJPZFAOQZTVLRV-ZDUSSCGKSA-N 1 0 365.430 2.557 20 5 FFBDRO Cc1ccc(C[NH2+]C2CCN(C(=O)c3ccncc3)CC2)cc1[N+](=O)[O-] ZINC000237761341 509728627 /nfs/dbraw/zinc/72/86/27/509728627.db2.gz TUMPBGPWXVCVKK-UHFFFAOYSA-N 1 0 354.410 2.693 20 5 FFBDRO C[C@H]1C[C@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000268040723 509730229 /nfs/dbraw/zinc/73/02/29/509730229.db2.gz XYWBBGDLFRDMIF-ONGXEEELSA-N 1 0 357.332 2.969 20 5 FFBDRO COc1cc(C[NH2+][C@H](CO)C(C)(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000193106452 509782235 /nfs/dbraw/zinc/78/22/35/509782235.db2.gz KLMURFXGIVDHBW-CQSZACIVSA-N 1 0 362.373 2.744 20 5 FFBDRO O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000186584173 509785070 /nfs/dbraw/zinc/78/50/70/509785070.db2.gz PWNINTQTCGRHTO-KRWDZBQOSA-N 1 0 354.410 2.774 20 5 FFBDRO COC[C@@H]1C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H](C)O1 ZINC000251522185 509811180 /nfs/dbraw/zinc/81/11/80/509811180.db2.gz CUEPSRLOYXNLML-CJNGLKHVSA-N 1 0 361.398 2.528 20 5 FFBDRO CN(C(=O)c1cccc([N+](=O)[O-])c1N)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000177019222 509822907 /nfs/dbraw/zinc/82/29/07/509822907.db2.gz HTAZGAYCUPDEHV-MRXNPFEDSA-N 1 0 368.437 2.914 20 5 FFBDRO COc1cc(C[N@@H+]2CC[C@@]3(CCOC3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000180240019 509828979 /nfs/dbraw/zinc/82/89/79/509828979.db2.gz JVNFRMAMWBOIIE-QGZVFWFLSA-N 1 0 372.368 2.860 20 5 FFBDRO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CC[NH+](C2CCC2)CC1 ZINC000265060780 509843308 /nfs/dbraw/zinc/84/33/08/509843308.db2.gz WJRAUSPYKMILEC-UHFFFAOYSA-N 1 0 370.356 2.898 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H](c2ccc(F)cc2)C2CCCC2)c1 ZINC000180303450 509859571 /nfs/dbraw/zinc/85/95/71/509859571.db2.gz GBLGXCUSUBXBEB-ZWKOTPCHSA-N 1 0 362.405 2.812 20 5 FFBDRO CC(C)(CNC(=O)Nc1ccncc1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000183564348 509862905 /nfs/dbraw/zinc/86/29/05/509862905.db2.gz CNFSOAZRVJUTSI-UHFFFAOYSA-N 1 0 369.425 2.948 20 5 FFBDRO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000177089210 509864280 /nfs/dbraw/zinc/86/42/80/509864280.db2.gz KEWRLGSHHPPLAL-GFCCVEGCSA-N 1 0 368.231 2.668 20 5 FFBDRO CC[NH2+]Cc1cccc(NC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])c1 ZINC000193333715 509870676 /nfs/dbraw/zinc/87/06/76/509870676.db2.gz HINXYRVIAHLVJC-UHFFFAOYSA-N 1 0 359.382 2.974 20 5 FFBDRO C[C@H]1C[C@H](NC(=O)Nc2ccncc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000183585824 509872971 /nfs/dbraw/zinc/87/29/71/509872971.db2.gz GBURDIOQKXCHKJ-ZFWWWQNUSA-N 1 0 355.398 2.774 20 5 FFBDRO Cc1ccc([C@H](CNC(=O)Nc2ccncc2[N+](=O)[O-])[NH+]2CCCC2)o1 ZINC000183591693 509875950 /nfs/dbraw/zinc/87/59/50/509875950.db2.gz BJTCEBVCDOXCGJ-HNNXBMFYSA-N 1 0 359.386 2.850 20 5 FFBDRO C[C@H]([NH2+]CC(=O)NC(=O)N[C@@H]1CCCC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000180418942 509917543 /nfs/dbraw/zinc/91/75/43/509917543.db2.gz XAMDHCMZXVOLFF-HEHGZKQESA-N 1 0 362.430 2.650 20 5 FFBDRO O=[N+]([O-])c1ccc2oc(CN3CCC(OCC[NH+]4CCCC4)CC3)nc2c1 ZINC000177177452 509921334 /nfs/dbraw/zinc/92/13/34/509921334.db2.gz UDBRHIHEYISSEG-UHFFFAOYSA-N 1 0 374.441 2.813 20 5 FFBDRO COc1ccc(OCC[NH2+][C@@H](CCO)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000183714004 509940648 /nfs/dbraw/zinc/94/06/48/509940648.db2.gz LADKUMWGABLDIY-INIZCTEOSA-N 1 0 352.431 2.903 20 5 FFBDRO COC(=O)c1cn(C2CC[NH+]([C@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)nn1 ZINC000183723701 509946672 /nfs/dbraw/zinc/94/66/72/509946672.db2.gz MMZFDEOPHUCKGA-CYBMUJFWSA-N 1 0 373.413 2.679 20 5 FFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000265284417 509967373 /nfs/dbraw/zinc/96/73/73/509967373.db2.gz JFMLLZICXQPKNK-UONOGXRCSA-N 1 0 351.472 2.876 20 5 FFBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)C[C@@H]1CCCOC1 ZINC000174142358 509967652 /nfs/dbraw/zinc/96/76/52/509967652.db2.gz YZLQZYWBUYMXHB-RYUDHWBXSA-N 1 0 355.822 2.934 20 5 FFBDRO CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000177304264 509988429 /nfs/dbraw/zinc/98/84/29/509988429.db2.gz QJRRNRUZDYMVGV-WBVHZDCISA-N 1 0 360.458 2.790 20 5 FFBDRO CN(CC1([NH+](C)C)CCC1)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000187012603 510005039 /nfs/dbraw/zinc/00/50/39/510005039.db2.gz PLZQNTXCMGIQFH-UHFFFAOYSA-N 1 0 370.247 2.914 20 5 FFBDRO [NH3+][C@@H]1CN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C[C@H]1c1ccccc1 ZINC000261675721 510023274 /nfs/dbraw/zinc/02/32/74/510023274.db2.gz HYGJBJSOPLSABW-RBUKOAKNSA-N 1 0 368.437 2.740 20 5 FFBDRO Cc1ccc([C@H](CNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)[NH+]2CCCC2)cc1 ZINC000187045344 510024901 /nfs/dbraw/zinc/02/49/01/510024901.db2.gz HCCNITKWQDWMTK-KRWDZBQOSA-N 1 0 370.409 2.571 20 5 FFBDRO Cc1ccc([C@@H](CNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)[NH+]2CCCC2)cc1 ZINC000187045330 510025085 /nfs/dbraw/zinc/02/50/85/510025085.db2.gz HCCNITKWQDWMTK-QGZVFWFLSA-N 1 0 370.409 2.571 20 5 FFBDRO O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261717651 510037254 /nfs/dbraw/zinc/03/72/54/510037254.db2.gz GRSMAMIUZXJEBU-OKILXGFUSA-N 1 0 372.450 2.790 20 5 FFBDRO C[N@@H+]1CC[C@H](NC(=O)NCc2ccccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000245624627 510045101 /nfs/dbraw/zinc/04/51/01/510045101.db2.gz GEVKTJXBAXACDR-FUHWJXTLSA-N 1 0 354.410 2.839 20 5 FFBDRO O=C(COc1cccc([N+](=O)[O-])c1)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000193760812 510054438 /nfs/dbraw/zinc/05/44/38/510054438.db2.gz ICBFZTJXGKTFNZ-KRWDZBQOSA-N 1 0 369.421 2.612 20 5 FFBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000180693463 510059406 /nfs/dbraw/zinc/05/94/06/510059406.db2.gz GSMNQWLHADBRTM-UHFFFAOYSA-N 1 0 360.458 2.905 20 5 FFBDRO O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCC2(CC[NH2+]C2)CC1 ZINC000261829024 510081749 /nfs/dbraw/zinc/08/17/49/510081749.db2.gz ORNMTRZAKNTGMN-UHFFFAOYSA-N 1 0 372.450 2.934 20 5 FFBDRO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1[N+](=O)[O-] ZINC000193813026 510083111 /nfs/dbraw/zinc/08/31/11/510083111.db2.gz XKJVGNGSELAXNC-OAHLLOKOSA-N 1 0 357.385 2.986 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](Cc1cccnc1)C1CC1 ZINC000180742594 510085334 /nfs/dbraw/zinc/08/53/34/510085334.db2.gz NYXAUTUFBFOPPA-UHFFFAOYSA-N 1 0 370.409 2.992 20 5 FFBDRO CCc1n[nH]c(C(=O)NC[C@@H](Cc2ccccc2)[NH+](CC)CC)c1[N+](=O)[O-] ZINC000171371156 510112978 /nfs/dbraw/zinc/11/29/78/510112978.db2.gz OKIKBLMLUHWFGX-OAHLLOKOSA-N 1 0 373.457 2.563 20 5 FFBDRO CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000190422662 510122708 /nfs/dbraw/zinc/12/27/08/510122708.db2.gz HEKCUNAIDPUIMY-YOEHRIQHSA-N 1 0 360.414 2.830 20 5 FFBDRO C[NH2+]CCC1CCN(C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)CC1 ZINC000262028553 510152799 /nfs/dbraw/zinc/15/27/99/510152799.db2.gz JKFCKSDUGQNLFT-ZDUSSCGKSA-N 1 0 351.472 2.924 20 5 FFBDRO C[NH2+]CCC1CCN(C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)CC1 ZINC000262028551 510152814 /nfs/dbraw/zinc/15/28/14/510152814.db2.gz JKFCKSDUGQNLFT-CYBMUJFWSA-N 1 0 351.472 2.924 20 5 FFBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccc(NS(C)(=O)=O)cc1 ZINC000268960672 510161721 /nfs/dbraw/zinc/16/17/21/510161721.db2.gz VOYCGICWQCYQKO-CYBMUJFWSA-N 1 0 363.439 2.860 20 5 FFBDRO C[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)N1CC(=O)Nc2ccccc21 ZINC000194058794 510195891 /nfs/dbraw/zinc/19/58/91/510195891.db2.gz LPQZJRQZYQAHPG-QWHCGFSZSA-N 1 0 368.393 2.619 20 5 FFBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N1CCC[N@@H+](C2CCCC2)CC1 ZINC000265733619 510201577 /nfs/dbraw/zinc/20/15/77/510201577.db2.gz RTQJSUWABNODIN-UHFFFAOYSA-N 1 0 361.442 2.841 20 5 FFBDRO [NH3+]C1(CNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CCCCCC1 ZINC000262246859 510219509 /nfs/dbraw/zinc/21/95/09/510219509.db2.gz SFMFXFMPRVUYRF-UHFFFAOYSA-N 1 0 357.414 2.562 20 5 FFBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000246025814 510254179 /nfs/dbraw/zinc/25/41/79/510254179.db2.gz VNGNHSFYCKZVFJ-SMDDNHRTSA-N 1 0 369.368 2.753 20 5 FFBDRO CC[N@@H+](Cc1ccc(Cl)c(Cl)c1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174745015 510286813 /nfs/dbraw/zinc/28/68/13/510286813.db2.gz UGPZOFZXHLOSRU-CYBMUJFWSA-N 1 0 373.240 2.981 20 5 FFBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000246092380 510287109 /nfs/dbraw/zinc/28/71/09/510287109.db2.gz GVPRHDCWBZJQQA-CJNGLKHVSA-N 1 0 369.487 2.508 20 5 FFBDRO C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000269240490 510303383 /nfs/dbraw/zinc/30/33/83/510303383.db2.gz XOEOBLMYGJHWKX-CABCVRRESA-N 1 0 360.458 2.703 20 5 FFBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCC[C@H]3C[NH3+])cc2[N+](=O)[O-])C1 ZINC000262636801 510345950 /nfs/dbraw/zinc/34/59/50/510345950.db2.gz OVXCTDRRGQIKMQ-LZWOXQAQSA-N 1 0 360.458 2.640 20 5 FFBDRO CC(C)c1n[nH]c(C(=O)NCc2ccccc2C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000269366121 510364389 /nfs/dbraw/zinc/36/43/89/510364389.db2.gz KTXXEYAGLFDRFK-UHFFFAOYSA-N 1 0 371.441 2.967 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2cnc(CCN3CC[N@@H+]4CCCC[C@H]4C3)o2)c1 ZINC000246287145 510407545 /nfs/dbraw/zinc/40/75/45/510407545.db2.gz AFMIMZFAGGRQBC-KRWDZBQOSA-N 1 0 356.426 2.962 20 5 FFBDRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000262784288 510410967 /nfs/dbraw/zinc/41/09/67/510410967.db2.gz ZDRNOOKXKIOYPS-CRAIPNDOSA-N 1 0 363.461 2.883 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C2(c3cccc(Cl)c3)CCCC2)c1 ZINC000181465011 510426302 /nfs/dbraw/zinc/42/63/02/510426302.db2.gz LBQJFFOEGCNLSR-MRXNPFEDSA-N 1 0 364.833 2.865 20 5 FFBDRO CC[NH+]1CCC(N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000266149769 510434647 /nfs/dbraw/zinc/43/46/47/510434647.db2.gz NCETUNFNGYCLGW-NSHDSACASA-N 1 0 354.838 2.649 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](C)c1cccc(O)c1 ZINC000181493439 510437691 /nfs/dbraw/zinc/43/76/91/510437691.db2.gz IRURNIQFJMVXQE-LBPRGKRZSA-N 1 0 359.382 2.988 20 5 FFBDRO CCc1ccc([C@H](CNC(=O)c2cccc([N+](=O)[O-])c2N)[NH+](C)C)cc1 ZINC000178151040 510460281 /nfs/dbraw/zinc/46/02/81/510460281.db2.gz RMRWNARAEOSKKJ-KRWDZBQOSA-N 1 0 356.426 2.772 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181679715 510536235 /nfs/dbraw/zinc/53/62/35/510536235.db2.gz REVOTNQRWSFJCU-UONOGXRCSA-N 1 0 361.442 2.986 20 5 FFBDRO CCc1ccc([C@H](COC)NCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000184862915 510552569 /nfs/dbraw/zinc/55/25/69/510552569.db2.gz OANQYKVSERYYER-INIZCTEOSA-N 1 0 361.398 2.690 20 5 FFBDRO CCC[C@]1(COC)CCC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000194919839 510591969 /nfs/dbraw/zinc/59/19/69/510591969.db2.gz XBIOPFQUXWMNOW-LJQANCHMSA-N 1 0 361.442 2.765 20 5 FFBDRO COc1cccc(CNC(=O)C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000181811741 510606374 /nfs/dbraw/zinc/60/63/74/510606374.db2.gz SZIVUWHBSAJCNJ-CQSZACIVSA-N 1 0 357.410 2.879 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H](Cc2ccccc2)c2cccs2)c1 ZINC000184968613 510610223 /nfs/dbraw/zinc/61/02/23/510610223.db2.gz JQHUGUHQUDWFLH-IAGOWNOFSA-N 1 0 372.450 2.787 20 5 FFBDRO COc1ccccc1CCNC(=O)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181835666 510617273 /nfs/dbraw/zinc/61/72/73/510617273.db2.gz JCHIVXLLBAEOJD-HNNXBMFYSA-N 1 0 371.437 2.921 20 5 FFBDRO O=C(CN(Cc1cccc([N+](=O)[O-])c1)C1CC1)N1CCO[C@H]2CCCC[C@H]21 ZINC000246695134 510621952 /nfs/dbraw/zinc/62/19/52/510621952.db2.gz NAMUXYBUAZHHKZ-MOPGFXCFSA-N 1 0 373.453 2.729 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000191365902 510624577 /nfs/dbraw/zinc/62/45/77/510624577.db2.gz SOZNRSLNLGELPA-GJZGRUSLSA-N 1 0 364.446 2.832 20 5 FFBDRO Cc1ccc([C@@H](C)NC(=O)[C@@H]([NH2+]C2CCOCC2)C(C)C)cc1[N+](=O)[O-] ZINC000175458090 510655056 /nfs/dbraw/zinc/65/50/56/510655056.db2.gz MJGZPDPWYPVFNP-KDOFPFPSSA-N 1 0 363.458 2.874 20 5 FFBDRO CCN(CCC[NH+](CC)CC)S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000188246812 510667621 /nfs/dbraw/zinc/66/76/21/510667621.db2.gz TVHWZHILLDMBHS-UHFFFAOYSA-N 1 0 357.476 2.646 20 5 FFBDRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)c1 ZINC000181936372 510669864 /nfs/dbraw/zinc/66/98/64/510669864.db2.gz WZFLWDDFTJZXCI-CYBMUJFWSA-N 1 0 363.439 2.662 20 5 FFBDRO CN(Cc1c(F)cccc1[N+](=O)[O-])C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188277615 510685187 /nfs/dbraw/zinc/68/51/87/510685187.db2.gz BMGVGYLKQCISIC-FQEVSTJZSA-N 1 0 373.428 2.803 20 5 FFBDRO C[C@@H]1CN(C)c2ccccc2C[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181976719 510688675 /nfs/dbraw/zinc/68/86/75/510688675.db2.gz XJHJMEHATADSRF-WBVHZDCISA-N 1 0 371.437 2.675 20 5 FFBDRO C[C@@H]([NH2+]Cc1cccc(OCC(=O)N(C)C)c1)c1ccc([N+](=O)[O-])cc1 ZINC000178646981 510702499 /nfs/dbraw/zinc/70/24/99/510702499.db2.gz AADWIQUECKMQBP-CQSZACIVSA-N 1 0 357.410 2.913 20 5 FFBDRO C[C@H](NC(=O)CC1([NH+]2CCOCC2)CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000172414780 510715791 /nfs/dbraw/zinc/71/57/91/510715791.db2.gz NIVAQQANFHFAJN-HNNXBMFYSA-N 1 0 361.442 2.807 20 5 FFBDRO Cc1cnc([C@@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C2CC2)s1 ZINC000185269490 510782069 /nfs/dbraw/zinc/78/20/69/510782069.db2.gz KCLXMAXAROGRFZ-HOCLYGCPSA-N 1 0 363.439 2.840 20 5 FFBDRO COc1ccc([C@H](C)[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1F ZINC000182179151 510799231 /nfs/dbraw/zinc/79/92/31/510799231.db2.gz ZYXBAAIRZRGHSB-GXTWGEPZSA-N 1 0 364.373 2.833 20 5 FFBDRO C[N@@H+](Cc1ccc(F)c(F)c1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182204583 510812731 /nfs/dbraw/zinc/81/27/31/510812731.db2.gz MEVPNXRWFPEEQX-CYBMUJFWSA-N 1 0 352.337 2.745 20 5 FFBDRO C[C@@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccc2c(c1)OCO2 ZINC000182271318 510839524 /nfs/dbraw/zinc/83/95/24/510839524.db2.gz QAUKSEOSWUAUGP-GFCCVEGCSA-N 1 0 369.377 2.563 20 5 FFBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000247302979 510856205 /nfs/dbraw/zinc/85/62/05/510856205.db2.gz VDCCLMSEVGPAFL-WMLDXEAASA-N 1 0 364.446 2.853 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CCC3(O)CCOCC3)cs2)c1 ZINC000285391199 510888398 /nfs/dbraw/zinc/88/83/98/510888398.db2.gz DMJBRRJUNHEGKY-UHFFFAOYSA-N 1 0 363.439 2.740 20 5 FFBDRO Cc1[nH+]c2c(n1[C@@H]1CCN(C(=O)c3cccc([N+](=O)[O-])c3N)C1)CCCC2 ZINC000275572389 510904798 /nfs/dbraw/zinc/90/47/98/510904798.db2.gz IGUUTFADYFAMOB-CYBMUJFWSA-N 1 0 369.425 2.648 20 5 FFBDRO O=C(CC[N@@H+]1CCC[C@H](c2ncc[nH]2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000364604032 510965139 /nfs/dbraw/zinc/96/51/39/510965139.db2.gz HIVMQIHWFVPVCV-LBPRGKRZSA-N 1 0 361.377 2.665 20 5 FFBDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])C2)C1 ZINC000294231686 510998739 /nfs/dbraw/zinc/99/87/39/510998739.db2.gz RNVRZAKNASVTJR-KRWDZBQOSA-N 1 0 369.824 2.874 20 5 FFBDRO CN(c1ncc([N+](=O)[O-])cc1Br)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000286460030 511025389 /nfs/dbraw/zinc/02/53/89/511025389.db2.gz SPPFUKOHYZQZSO-ZACCUICWSA-N 1 0 355.236 2.814 20 5 FFBDRO CC(C)c1ccc(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000364755291 511063120 /nfs/dbraw/zinc/06/31/20/511063120.db2.gz NYTFDYPDCGXYEF-MRXNPFEDSA-N 1 0 361.442 2.701 20 5 FFBDRO CN(C)C(=O)C1(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCCC1 ZINC000331531298 511066789 /nfs/dbraw/zinc/06/67/89/511066789.db2.gz DWOVWXBYJDCVID-CABCVRRESA-N 1 0 363.462 2.513 20 5 FFBDRO CC(C)[NH+]1CCN(CCCn2cc(-c3cccc([N+](=O)[O-])c3)cn2)CC1 ZINC000298113422 511179701 /nfs/dbraw/zinc/17/97/01/511179701.db2.gz BDKDNYVZMKGROL-UHFFFAOYSA-N 1 0 357.458 2.874 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2nc(CNC[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)cs2)c1 ZINC000362719297 511225178 /nfs/dbraw/zinc/22/51/78/511225178.db2.gz IGTGPQPUVQPKDS-IAGOWNOFSA-N 1 0 374.466 2.671 20 5 FFBDRO CC[N@@H+]1CCCN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000271512711 511229606 /nfs/dbraw/zinc/22/96/06/511229606.db2.gz AMPJYMGYMGQWLE-UHFFFAOYSA-N 1 0 371.235 2.917 20 5 FFBDRO CN1CC[NH+](CC2CCN(c3c4ccccc4ncc3[N+](=O)[O-])CC2)CC1 ZINC000291567472 511249110 /nfs/dbraw/zinc/24/91/10/511249110.db2.gz DHPCSWDBKZJXBL-UHFFFAOYSA-N 1 0 369.469 2.607 20 5 FFBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000365099733 511256873 /nfs/dbraw/zinc/25/68/73/511256873.db2.gz MROLQGGKUUVPTR-RYUDHWBXSA-N 1 0 355.797 2.673 20 5 FFBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)CCC(=O)c3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000295078324 511273848 /nfs/dbraw/zinc/27/38/48/511273848.db2.gz WOUBJMBMGKXXRT-RDJZCZTQSA-N 1 0 359.426 2.500 20 5 FFBDRO CS(=O)(=O)CC1CCC([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000295147089 511298682 /nfs/dbraw/zinc/29/86/82/511298682.db2.gz QSVJHFBRJGAIIO-GQCTYLIASA-N 1 0 352.456 2.801 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CC[C@@H](n4cccn4)C3)o2)c1 ZINC000291741898 511318011 /nfs/dbraw/zinc/31/80/11/511318011.db2.gz KBNQVWDBCCKHDQ-MRXNPFEDSA-N 1 0 353.382 2.936 20 5 FFBDRO COC(=O)CCCN1CCC([NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000271808103 511330952 /nfs/dbraw/zinc/33/09/52/511330952.db2.gz MRXYWENPBCDDIW-HNNXBMFYSA-N 1 0 363.458 2.971 20 5 FFBDRO COC(=O)CCCN1CCC([NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000271808106 511331478 /nfs/dbraw/zinc/33/14/78/511331478.db2.gz MRXYWENPBCDDIW-OAHLLOKOSA-N 1 0 363.458 2.971 20 5 FFBDRO Cc1nc(NCc2cccc(CN3CCO[C@H](C)C3)c2)ncc1[N+](=O)[O-] ZINC000295446855 511408370 /nfs/dbraw/zinc/40/83/70/511408370.db2.gz GXJUNHODPDPQDP-CYBMUJFWSA-N 1 0 357.414 2.526 20 5 FFBDRO COc1ccc(CNC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1[N+](=O)[O-] ZINC000298888227 511443365 /nfs/dbraw/zinc/44/33/65/511443365.db2.gz YQDAPAQXQFGFPC-UHFFFAOYSA-N 1 0 364.446 2.712 20 5 FFBDRO CN(C(=O)C[NH+]1CCC2(CCC(O)CC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000295698392 511487997 /nfs/dbraw/zinc/48/79/97/511487997.db2.gz MGSWNAATTCPJOW-UHFFFAOYSA-N 1 0 361.442 2.575 20 5 FFBDRO COc1ccc(OCC[N@H+](C)[C@@H](CC(N)=O)c2ccccc2)c([N+](=O)[O-])c1 ZINC000280510799 511493891 /nfs/dbraw/zinc/49/38/91/511493891.db2.gz NNDWQAODCNDJLB-INIZCTEOSA-N 1 0 373.409 2.531 20 5 FFBDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)CCOc3ccc(Cl)cc3[N+](=O)[O-])C2)C1 ZINC000292181449 511497139 /nfs/dbraw/zinc/49/71/39/511497139.db2.gz KQRPESGLXXOXHT-QGZVFWFLSA-N 1 0 367.833 2.571 20 5 FFBDRO CN(C(=O)C[NH2+][C@H]1CCN(C)[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000283966057 511559053 /nfs/dbraw/zinc/55/90/53/511559053.db2.gz IFTFVDWIANBLIS-AZUAARDMSA-N 1 0 368.437 2.593 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)Cn1cnc2c1C[C@@H](C)[C@H](C)C2 ZINC000296049962 511602449 /nfs/dbraw/zinc/60/24/49/511602449.db2.gz UBMOCWSCONHSMU-VXGBXAGGSA-N 1 0 358.398 2.809 20 5 FFBDRO Cc1c(NC(=O)NC[C@H](C)[NH+](C)C)cc(Br)cc1[N+](=O)[O-] ZINC000280836369 511622571 /nfs/dbraw/zinc/62/25/71/511622571.db2.gz VQTZVCIMSUSOAH-QMMMGPOBSA-N 1 0 359.224 2.737 20 5 FFBDRO CN1CCO[C@H]2CCN(Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)C[C@@H]21 ZINC000284208951 511642955 /nfs/dbraw/zinc/64/29/55/511642955.db2.gz CCHXBFMBVMFXRP-IRXDYDNUSA-N 1 0 374.466 2.623 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](CCO)C1CCCCC1 ZINC000299496378 511658473 /nfs/dbraw/zinc/65/84/73/511658473.db2.gz BELMILZUROXFTK-UHFFFAOYSA-N 1 0 365.430 2.559 20 5 FFBDRO C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365882271 511708254 /nfs/dbraw/zinc/70/82/54/511708254.db2.gz RLSBTAWICSVFBX-YCPHGPKFSA-N 1 0 363.462 2.512 20 5 FFBDRO CNC(=O)[C@]1(C)CC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000281072526 511710908 /nfs/dbraw/zinc/71/09/08/511710908.db2.gz INIQSPQSFCCCRA-QGZVFWFLSA-N 1 0 360.439 2.676 20 5 FFBDRO Cc1nc([N+](=O)[O-])c(-c2noc(-c3cccc(Cn4ccnc4)c3)n2)n1C ZINC000350271235 511762355 /nfs/dbraw/zinc/76/23/55/511762355.db2.gz DBVLIUVVQCDUCT-UHFFFAOYSA-N 1 0 365.353 2.599 20 5 FFBDRO COc1ccc(-c2nc([C@H]3C[N@@H+]4CCC[C@@]4(C)CO3)no2)cc1[N+](=O)[O-] ZINC000350359811 511790866 /nfs/dbraw/zinc/79/08/66/511790866.db2.gz SIMZFLJNYZPBRN-PBHICJAKSA-N 1 0 360.370 2.579 20 5 FFBDRO C[N@@H+]1CCC[C@@]2(CCN(Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)C2)C1 ZINC000293014207 511807279 /nfs/dbraw/zinc/80/72/79/511807279.db2.gz QBHNRJKWQYQSGH-GOSISDBHSA-N 1 0 357.414 2.563 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@](CO)(C(C)C)C1 ZINC000293050377 511821427 /nfs/dbraw/zinc/82/14/27/511821427.db2.gz MVHYZPUFRIPHEM-IBGZPJMESA-N 1 0 363.458 2.962 20 5 FFBDRO CCOC(=O)C1CCC(O)(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000296721887 511869854 /nfs/dbraw/zinc/86/98/54/511869854.db2.gz NCOZRDYUTMPPTH-UQHVZDHRSA-N 1 0 350.415 2.730 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](C[NH+](C)C)Oc3ccccc32)c1 ZINC000366163370 511875519 /nfs/dbraw/zinc/87/55/19/511875519.db2.gz JYXPLVZPAYBDND-CQSZACIVSA-N 1 0 371.393 2.573 20 5 FFBDRO C[C@H]([NH2+][C@H]1CCC[C@H]1CCO)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000284823327 511885659 /nfs/dbraw/zinc/88/56/59/511885659.db2.gz AGOBNISPPSGBRR-MJVIPROJSA-N 1 0 355.822 2.716 20 5 FFBDRO COc1ccc(NC(=O)NCCCCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000296864438 511928365 /nfs/dbraw/zinc/92/83/65/511928365.db2.gz PERXKKXXXXLKNR-UHFFFAOYSA-N 1 0 350.419 2.991 20 5 FFBDRO CS[C@@H]1CN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C[C@H]1[NH+]1CCCC1 ZINC000274851676 511964352 /nfs/dbraw/zinc/96/43/52/511964352.db2.gz AZNGKFVXCFGANH-IAGOWNOFSA-N 1 0 374.466 2.728 20 5 FFBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000293503316 511989354 /nfs/dbraw/zinc/98/93/54/511989354.db2.gz UQGQUGFFLCNFKB-TUAOUCFPSA-N 1 0 354.838 2.600 20 5 FFBDRO CCNC(=O)COc1cccc(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000285308277 512072580 /nfs/dbraw/zinc/07/25/80/512072580.db2.gz SJQVWYREKZYQBJ-ZDUSSCGKSA-N 1 0 372.425 2.543 20 5 FFBDRO COc1cc(C[NH2+][C@H]2CCC[C@H]2CCO)c([N+](=O)[O-])cc1OCC(F)F ZINC000275229745 512081471 /nfs/dbraw/zinc/08/14/71/512081471.db2.gz JAXZMTSBTCEMCK-AAEUAGOBSA-N 1 0 374.384 2.888 20 5 FFBDRO C[NH+]1CCC2(CCCN2C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000367351593 512457164 /nfs/dbraw/zinc/45/71/64/512457164.db2.gz LUFLMKGOVXWZMG-UHFFFAOYSA-N 1 0 356.426 2.705 20 5 FFBDRO Cn1nccc1[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000375766285 512495776 /nfs/dbraw/zinc/49/57/76/512495776.db2.gz ULOQGYJFJFKHSK-ZDUSSCGKSA-N 1 0 358.398 2.574 20 5 FFBDRO CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369691617 512556711 /nfs/dbraw/zinc/55/67/11/512556711.db2.gz IZISJFVZNAVVHD-LSDHHAIUSA-N 1 0 363.462 2.608 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(CC(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)c1F ZINC000411414184 512624416 /nfs/dbraw/zinc/62/44/16/512624416.db2.gz HSHJKCAJGNISAY-OLZOCXBDSA-N 1 0 367.421 2.664 20 5 FFBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCCc1cn2c(n1)CCCC2 ZINC000367751195 512646612 /nfs/dbraw/zinc/64/66/12/512646612.db2.gz OPLDEZDWPFRSQK-UHFFFAOYSA-N 1 0 371.441 2.554 20 5 FFBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000367935709 512731245 /nfs/dbraw/zinc/73/12/45/512731245.db2.gz QSIYINMBAWUSLQ-UHFFFAOYSA-N 1 0 374.485 2.651 20 5 FFBDRO C[C@H]1CN(c2ccc([N+](=O)[O-])cc2Cl)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000374308236 512758273 /nfs/dbraw/zinc/75/82/73/512758273.db2.gz FPYAXOYVAINOPD-BBRMVZONSA-N 1 0 352.866 2.710 20 5 FFBDRO C[C@H]1CN(c2ccc([N+](=O)[O-])c3cnccc32)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000374314697 512761121 /nfs/dbraw/zinc/76/11/21/512761121.db2.gz XBTLZZLCGCUUEN-YJBOKZPZSA-N 1 0 369.469 2.605 20 5 FFBDRO NC(=O)c1ccc(C[NH2+][C@H](c2ccccc2)C2CCOCC2)c([N+](=O)[O-])c1 ZINC000378458985 512769483 /nfs/dbraw/zinc/76/94/83/512769483.db2.gz FLCBCANBTWIWSS-LJQANCHMSA-N 1 0 369.421 2.951 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000374423170 512826576 /nfs/dbraw/zinc/82/65/76/512826576.db2.gz VFKLPNBCIIMKJM-UNEWFSDZSA-N 1 0 353.850 2.932 20 5 FFBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000376523512 512856294 /nfs/dbraw/zinc/85/62/94/512856294.db2.gz VOTBQKSIRCMCIO-GUYCJALGSA-N 1 0 358.442 2.868 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC([C@@H]2CCOC2)CC1 ZINC000378645310 512863797 /nfs/dbraw/zinc/86/37/97/512863797.db2.gz MWKYBESPJUZNOS-MRXNPFEDSA-N 1 0 361.442 2.980 20 5 FFBDRO CCc1nn(C)c(N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000381013579 512874047 /nfs/dbraw/zinc/87/40/47/512874047.db2.gz PYPMNWCQMZQPGN-DLBZAZTESA-N 1 0 369.469 2.849 20 5 FFBDRO O=[N+]([O-])c1cc(CN2C[C@@H](O)C[C@@H]2c2ccccc2)c2c(c1)COCO2 ZINC000411949955 512885717 /nfs/dbraw/zinc/88/57/17/512885717.db2.gz QSXAMSSDQKCRDS-ZWKOTPCHSA-N 1 0 356.378 2.769 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](Oc3ccccc3)C2)c1 ZINC000411979306 512899140 /nfs/dbraw/zinc/89/91/40/512899140.db2.gz CWQQAUXEAIFCSC-PXNSSMCTSA-N 1 0 372.421 2.878 20 5 FFBDRO C[C@@]1(CNC(=O)c2cccc([N+](=O)[O-])c2N)CCC[N@@H+]1Cc1ccccc1 ZINC000397919617 512950854 /nfs/dbraw/zinc/95/08/54/512950854.db2.gz PCRURJYWWQGKBI-FQEVSTJZSA-N 1 0 368.437 2.962 20 5 FFBDRO CN(c1ccc([N+](=O)[O-])c2cnccc21)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000372605514 512966261 /nfs/dbraw/zinc/96/62/61/512966261.db2.gz ICKJFMIJTMAJIZ-MRXNPFEDSA-N 1 0 369.469 2.748 20 5 FFBDRO Cc1cc(C(=O)N2C[C@@H](C[NH+](C)C)Oc3ccccc32)cc([N+](=O)[O-])c1 ZINC000370502673 512966627 /nfs/dbraw/zinc/96/66/27/512966627.db2.gz IJEQKAIUYDTRFK-MRXNPFEDSA-N 1 0 355.394 2.873 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H](CC[NH3+])c2ccccc21 ZINC000368509775 512982001 /nfs/dbraw/zinc/98/20/01/512982001.db2.gz DGCUNUGSLVWOII-ZDUSSCGKSA-N 1 0 361.423 2.545 20 5 FFBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000408012166 512983751 /nfs/dbraw/zinc/98/37/51/512983751.db2.gz BEYJMFWZEWDSFD-MBNYWOFBSA-N 1 0 364.421 2.794 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N(C)CC[NH+](C(C)C)C(C)C)c1F ZINC000412259383 513014157 /nfs/dbraw/zinc/01/41/57/513014157.db2.gz UTLIYLDYHKFCCI-UHFFFAOYSA-N 1 0 369.437 2.862 20 5 FFBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000372769184 513036026 /nfs/dbraw/zinc/03/60/26/513036026.db2.gz WJDQRRBRQQPOCD-QWHCGFSZSA-N 1 0 357.332 2.970 20 5 FFBDRO C[C@@H](CNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])[NH+](C)C ZINC000412393753 513062971 /nfs/dbraw/zinc/06/29/71/513062971.db2.gz KACKDYLQDNUNMI-AWEZNQCLSA-N 1 0 357.410 2.854 20 5 FFBDRO Cc1c(C(=O)N2CCC3(CCC[N@H+]3C)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000368700368 513067007 /nfs/dbraw/zinc/06/70/07/513067007.db2.gz RPJKYYSPERJDOR-UHFFFAOYSA-N 1 0 362.386 2.512 20 5 FFBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CC1 ZINC000372865686 513080095 /nfs/dbraw/zinc/08/00/95/513080095.db2.gz KKTOZRPWEPEXLF-OAHLLOKOSA-N 1 0 360.458 2.751 20 5 FFBDRO COCC[NH2+]CCNC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000415199261 513149270 /nfs/dbraw/zinc/14/92/70/513149270.db2.gz VVRICRMRVOEFMR-UHFFFAOYSA-N 1 0 374.397 2.745 20 5 FFBDRO COC(=O)[C@@]1(c2ccccc2)CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000428802416 513195556 /nfs/dbraw/zinc/19/55/56/513195556.db2.gz JJVSLDQKQIBDKN-FQEVSTJZSA-N 1 0 370.405 2.790 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCC1(C)CC[NH+](C)CC1 ZINC000439916139 513210563 /nfs/dbraw/zinc/21/05/63/513210563.db2.gz QCSLSOSDPGUUHJ-UHFFFAOYSA-N 1 0 350.419 2.847 20 5 FFBDRO COC(=O)Cc1ccc(NCC2(SC)CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000450530307 513238163 /nfs/dbraw/zinc/23/81/63/513238163.db2.gz CUQKNJLQJSZXRY-UHFFFAOYSA-N 1 0 367.471 2.550 20 5 FFBDRO C[C@@H](NC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]C1 ZINC000428997042 513246484 /nfs/dbraw/zinc/24/64/84/513246484.db2.gz RSAZOFDKBCYUBJ-BFYDXBDKSA-N 1 0 374.485 2.949 20 5 FFBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000429007860 513250388 /nfs/dbraw/zinc/25/03/88/513250388.db2.gz WLHRVSOBMCJBBC-IIDMSEBBSA-N 1 0 360.458 2.586 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N[C@@H]3CCC[C@@H]([NH3+])C3)cc2[N+](=O)[O-])C1 ZINC000446399298 513255435 /nfs/dbraw/zinc/25/54/35/513255435.db2.gz XGORUHBTXSCYCG-FVQBIDKESA-N 1 0 360.458 2.831 20 5 FFBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000429023177 513260251 /nfs/dbraw/zinc/26/02/51/513260251.db2.gz DOXPTPZECWZEIZ-BASYENTBSA-N 1 0 360.458 2.584 20 5 FFBDRO Cc1c(NC(=O)CC[NH2+][C@H]2Cc3cccc(O)c3C2)cccc1[N+](=O)[O-] ZINC000429228804 513310659 /nfs/dbraw/zinc/31/06/59/513310659.db2.gz FYCHOSZKRLXCBT-AWEZNQCLSA-N 1 0 355.394 2.694 20 5 FFBDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000417988446 513320320 /nfs/dbraw/zinc/32/03/20/513320320.db2.gz KCROJKWLJFWQHC-WCQYABFASA-N 1 0 354.838 2.560 20 5 FFBDRO C[C@H](NC(=O)NC[C@@H]1[NH2+]CCc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000417992287 513322402 /nfs/dbraw/zinc/32/24/02/513322402.db2.gz WKFWGSKBRGBMAY-GUYCJALGSA-N 1 0 354.410 2.842 20 5 FFBDRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446898952 513358581 /nfs/dbraw/zinc/35/85/81/513358581.db2.gz OSNXMITZDDLZNV-ZDUSSCGKSA-N 1 0 374.445 2.535 20 5 FFBDRO Cc1c(CNC(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)cccc1[N+](=O)[O-] ZINC000418074756 513362538 /nfs/dbraw/zinc/36/25/38/513362538.db2.gz DBXALIHJYWYSGE-UHFFFAOYSA-N 1 0 372.469 2.856 20 5 FFBDRO Cc1c(NC(=O)NC[C@H]([NH3+])C(C)C)cc(Br)cc1[N+](=O)[O-] ZINC000415663396 513368465 /nfs/dbraw/zinc/36/84/65/513368465.db2.gz RXXNQECVYIITBL-JTQLQIEISA-N 1 0 359.224 2.771 20 5 FFBDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000418092527 513368918 /nfs/dbraw/zinc/36/89/18/513368918.db2.gz RMJJHEXDKHGVPL-SKDRFNHKSA-N 1 0 360.336 2.540 20 5 FFBDRO CN(c1ccccc1)c1ccc(C[NH2+][C@@]2(CCO)CCOC2)cc1[N+](=O)[O-] ZINC000447068766 513390202 /nfs/dbraw/zinc/39/02/02/513390202.db2.gz PTHRBNWJNDJLCY-FQEVSTJZSA-N 1 0 371.437 2.994 20 5 FFBDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)CCOc3ccc(Cl)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000425060388 513396775 /nfs/dbraw/zinc/39/67/75/513396775.db2.gz VHRGNEWVMWILRQ-SWLSCSKDSA-N 1 0 367.833 2.570 20 5 FFBDRO Cc1cc(N2CCC[C@@H](NC(=O)N(C)C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000450921207 513405391 /nfs/dbraw/zinc/40/53/91/513405391.db2.gz FMLAJMGAWIEKNY-CYBMUJFWSA-N 1 0 357.414 2.691 20 5 FFBDRO Cc1cc(N[C@@H]2CCO[C@H](c3nccn3C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000450947089 513419809 /nfs/dbraw/zinc/41/98/09/513419809.db2.gz AZJSZMFNLJGMHB-ACJLOTCBSA-N 1 0 367.409 2.939 20 5 FFBDRO C[C@H]1C[N@@H+](C2CCN(c3ccc([N+](=O)[O-])c4ncccc43)CC2)CCO1 ZINC000413074378 513425891 /nfs/dbraw/zinc/42/58/91/513425891.db2.gz JABCPBQOYSMABG-AWEZNQCLSA-N 1 0 356.426 2.833 20 5 FFBDRO C[C@H](c1ccncc1)[NH+]1CCC(Nc2cccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000425227796 513462680 /nfs/dbraw/zinc/46/26/80/513462680.db2.gz BBOJCYDKTWGHRT-CYBMUJFWSA-N 1 0 369.425 2.726 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]Cc2ccc3c(c2)OCCO3)n1 ZINC000447513655 513493946 /nfs/dbraw/zinc/49/39/46/513493946.db2.gz YACGPVDGFLJCRK-HUUCEWRRSA-N 1 0 358.398 2.836 20 5 FFBDRO [NH3+][C@H](CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccccc1 ZINC000418426488 513504611 /nfs/dbraw/zinc/50/46/11/513504611.db2.gz JYRXXQDFYCCBKZ-GOSISDBHSA-N 1 0 354.410 2.969 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000441191479 513507888 /nfs/dbraw/zinc/50/78/88/513507888.db2.gz BXIZPRVYZKVHGP-JKSUJKDBSA-N 1 0 361.442 2.980 20 5 FFBDRO C[C@@H](O)C[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000441241246 513519177 /nfs/dbraw/zinc/51/91/77/513519177.db2.gz SEVWBJZAGDCATF-UONOGXRCSA-N 1 0 366.849 2.759 20 5 FFBDRO C[C@H]1CN(c2nccc3ccc([N+](=O)[O-])cc32)CCN1C1CC[NH+](C)CC1 ZINC000413219383 513527165 /nfs/dbraw/zinc/52/71/65/513527165.db2.gz MJEKWXZPVSRUAK-HNNXBMFYSA-N 1 0 369.469 2.748 20 5 FFBDRO C[C@H]([NH2+]CC(=O)NCCO[C@@H]1CCCC[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000451108134 513528185 /nfs/dbraw/zinc/52/81/85/513528185.db2.gz VFXCIYOWZPSZMO-RVKKMQEKSA-N 1 0 363.458 2.957 20 5 FFBDRO COC1CC[NH+](C2(CN=c3[nH]c4ccc([N+](=O)[O-])cc4[nH]3)CCCC2)CC1 ZINC000447677971 513539518 /nfs/dbraw/zinc/53/95/18/513539518.db2.gz XDSUDVDOWXXRJU-UHFFFAOYSA-N 1 0 373.457 2.729 20 5 FFBDRO O=[N+]([O-])c1cnc(NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c(F)c1 ZINC000413256552 513550525 /nfs/dbraw/zinc/55/05/25/513550525.db2.gz CPANEVJDUYUOSJ-MRXNPFEDSA-N 1 0 360.389 2.832 20 5 FFBDRO CC(=O)N1CC[C@H](C[N@@H+](C)Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425420514 513555032 /nfs/dbraw/zinc/55/50/32/513555032.db2.gz MQDSDBQEBRGTQA-GFCCVEGCSA-N 1 0 370.247 2.658 20 5 FFBDRO [NH3+]CC[C@@H](NC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)C(F)(F)F ZINC000416052524 513557451 /nfs/dbraw/zinc/55/74/51/513557451.db2.gz UYYAOOGDXXNFKI-GXTWGEPZSA-N 1 0 374.363 2.764 20 5 FFBDRO COc1cc(CN2CC[C@@H]([NH3+])C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000435372202 513567650 /nfs/dbraw/zinc/56/76/50/513567650.db2.gz QJJLWUYFIHITKU-MRXNPFEDSA-N 1 0 357.410 2.715 20 5 FFBDRO COc1cc(CN2CCC[C@H]([C@H](C)[NH3+])C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000435372943 513567669 /nfs/dbraw/zinc/56/76/69/513567669.db2.gz CDEAVCXIKUJYMR-RYUDHWBXSA-N 1 0 373.400 2.807 20 5 FFBDRO CN(Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000435380945 513570246 /nfs/dbraw/zinc/57/02/46/513570246.db2.gz QTXGFCCWEDHCNM-BYICEURKSA-N 1 0 355.442 2.710 20 5 FFBDRO O=C1CC[C@H]([NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])[C@@H](C2CC2)N1 ZINC000425447804 513571444 /nfs/dbraw/zinc/57/14/44/513571444.db2.gz SXDUTAZZOXLMLC-SWLSCSKDSA-N 1 0 368.231 2.504 20 5 FFBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000418635733 513585548 /nfs/dbraw/zinc/58/55/48/513585548.db2.gz LAUQYNALBHKNRV-GOSISDBHSA-N 1 0 368.437 2.666 20 5 FFBDRO C[N@H+](CCCCNc1cc(CN2CCOCC2)ccc1[N+](=O)[O-])C1CC1 ZINC000413351168 513608674 /nfs/dbraw/zinc/60/86/74/513608674.db2.gz YZPSFMXVKSHWBG-UHFFFAOYSA-N 1 0 362.474 2.713 20 5 FFBDRO COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000451229701 513609037 /nfs/dbraw/zinc/60/90/37/513609037.db2.gz NAVHWEITQBLJFH-WQVCFCJDSA-N 1 0 363.414 2.633 20 5 FFBDRO O=C(c1cccc([N+](=O)[O-])c1)N(Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000435569831 513621150 /nfs/dbraw/zinc/62/11/50/513621150.db2.gz LDSUGYJFBBLLLA-HNNXBMFYSA-N 1 0 372.450 2.836 20 5 FFBDRO O=[N+]([O-])c1ccccc1OCC[NH2+][C@H](C1CCOCC1)C1(CO)CCC1 ZINC000425540768 513629546 /nfs/dbraw/zinc/62/95/46/513629546.db2.gz LYUCWHCLHPSWCP-GOSISDBHSA-N 1 0 364.442 2.521 20 5 FFBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000435628577 513643790 /nfs/dbraw/zinc/64/37/90/513643790.db2.gz VEYSNTCPJZMRMN-HNNXBMFYSA-N 1 0 367.471 2.670 20 5 FFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000418784462 513656035 /nfs/dbraw/zinc/65/60/35/513656035.db2.gz GIZQQMYRHCTXRA-YESZJQIVSA-N 1 0 360.458 2.903 20 5 FFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](O)C[C@H]1[C@@H]1CCCOC1 ZINC000451295496 513658836 /nfs/dbraw/zinc/65/88/36/513658836.db2.gz DNSUSYFKQVRWJG-OLMNPRSZSA-N 1 0 364.442 2.744 20 5 FFBDRO CCCN(CCC[NH+](C)C)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000451298434 513661162 /nfs/dbraw/zinc/66/11/62/513661162.db2.gz ISNZNUVSYKMLFD-UHFFFAOYSA-N 1 0 359.430 2.789 20 5 FFBDRO CNC(=O)[C@@]1(C)CC[N@H+](Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C1 ZINC000430765502 513742409 /nfs/dbraw/zinc/74/24/09/513742409.db2.gz RPTQJMMEOGLGBE-IBGZPJMESA-N 1 0 373.409 2.821 20 5 FFBDRO CCO[C@@H]1C[C@@H]([NH2+][C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C12CCC2 ZINC000451484534 513779604 /nfs/dbraw/zinc/77/96/04/513779604.db2.gz XGEWXSBTHRUPAP-GVDBMIGSSA-N 1 0 359.426 2.637 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H]1C[C@H](OC(C)C)C1(C)C ZINC000451489070 513782702 /nfs/dbraw/zinc/78/27/02/513782702.db2.gz BSAXARBALMMEPW-HOTGVXAUSA-N 1 0 365.430 2.724 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1C[C@@H](OC(C)C)C1(C)C ZINC000451489071 513783633 /nfs/dbraw/zinc/78/36/33/513783633.db2.gz BSAXARBALMMEPW-HZPDHXFCSA-N 1 0 365.430 2.724 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1[C@H](C)[C@H](OC)C1(C)C ZINC000451491787 513785609 /nfs/dbraw/zinc/78/56/09/513785609.db2.gz CCCHZTGAAHJYER-JECHBYEQSA-N 1 0 365.430 2.581 20 5 FFBDRO C[C@@H]1CC[N@H+](C)CCN1C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000431039546 513811181 /nfs/dbraw/zinc/81/11/81/513811181.db2.gz XNHJQOGRRYNPAG-SNVBAGLBSA-N 1 0 356.220 2.524 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](C[C@@H](O)COCc3ccco3)C2)cc1 ZINC000451543137 513821953 /nfs/dbraw/zinc/82/19/53/513821953.db2.gz AZHMUNSRNNWGQS-FUHWJXTLSA-N 1 0 360.410 2.945 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](C[C@H](O)COCC(F)(F)F)C2)cc1 ZINC000451554156 513830167 /nfs/dbraw/zinc/83/01/67/513830167.db2.gz ZKCUFNCSFVKVHZ-ZFWWWQNUSA-N 1 0 362.348 2.714 20 5 FFBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)[N@@H+]1CCCC[C@@H]1C ZINC000448699169 513852318 /nfs/dbraw/zinc/85/23/18/513852318.db2.gz SMHIYWVZXWZRMW-GJZGRUSLSA-N 1 0 371.441 2.773 20 5 FFBDRO C[C@H](CNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000448703568 513854308 /nfs/dbraw/zinc/85/43/08/513854308.db2.gz BYEXIWITJSVDGP-HUUCEWRRSA-N 1 0 361.442 2.794 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]([C@@H](CO)C1CC1)C1CC1 ZINC000451606533 513862740 /nfs/dbraw/zinc/86/27/40/513862740.db2.gz LUEPXQPMZFHOFS-QFBILLFUSA-N 1 0 361.442 2.619 20 5 FFBDRO C[NH+](C)CCOc1ccc(NC(=O)c2csc([N+](=O)[O-])c2)c(F)c1 ZINC000413897499 513870709 /nfs/dbraw/zinc/87/07/09/513870709.db2.gz DWBQOBKRNNCISJ-UHFFFAOYSA-N 1 0 353.375 2.988 20 5 FFBDRO C[C@@H](CNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)C[NH+]1CCCCC1 ZINC000448754914 513881360 /nfs/dbraw/zinc/88/13/60/513881360.db2.gz XZKUAEWKILKEQZ-HNNXBMFYSA-N 1 0 361.442 2.796 20 5 FFBDRO COc1cc(C(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000448767291 513888022 /nfs/dbraw/zinc/88/80/22/513888022.db2.gz KHYWZUFOMPOGTM-KPZWWZAWSA-N 1 0 367.421 2.983 20 5 FFBDRO COc1cc(C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)c([N+](=O)[O-])cc1F ZINC000448823615 513916578 /nfs/dbraw/zinc/91/65/78/513916578.db2.gz OYCLVNWPCCKFBL-GFCCVEGCSA-N 1 0 353.394 2.593 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@H](CO)CC(C)(C)C ZINC000451777223 513974690 /nfs/dbraw/zinc/97/46/90/513974690.db2.gz HZSFWSGFOLRYJG-HNNXBMFYSA-N 1 0 351.447 2.961 20 5 FFBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H]2CC[C@@H](c3nc(C4CC4)no3)O2)cs1 ZINC000431713924 513976579 /nfs/dbraw/zinc/97/65/79/513976579.db2.gz UVPSPBZZFYDTJS-NEPJUHHUSA-N 1 0 350.400 2.927 20 5 FFBDRO COc1cc(C[NH2+][C@H]2COCC2(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000451806911 513991698 /nfs/dbraw/zinc/99/16/98/513991698.db2.gz AFHBITWRMLWVSI-AWEZNQCLSA-N 1 0 360.357 2.762 20 5 FFBDRO Cc1cc(OCC(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000431831630 514013797 /nfs/dbraw/zinc/01/37/97/514013797.db2.gz HGOPVDVMCXYVPX-AUUYWEPGSA-N 1 0 363.458 2.909 20 5 FFBDRO Cc1ccc(C(=O)NCC[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])cc1F ZINC000449077439 514061433 /nfs/dbraw/zinc/06/14/33/514061433.db2.gz RRQIGMRJEIWAFD-CQSZACIVSA-N 1 0 359.401 2.993 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(N2CCOCC2)nc1 ZINC000449078471 514063452 /nfs/dbraw/zinc/06/34/52/514063452.db2.gz XVFURXCFOHGOGG-OAHLLOKOSA-N 1 0 356.426 2.547 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000426879295 514065763 /nfs/dbraw/zinc/06/57/63/514065763.db2.gz QOKQCEKNWPOBIP-MRXNPFEDSA-N 1 0 361.373 2.775 20 5 FFBDRO O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000420271081 514066995 /nfs/dbraw/zinc/06/69/95/514066995.db2.gz ZISHKZBWIZJZNP-DTWKUNHWSA-N 1 0 366.290 2.690 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000426890014 514067661 /nfs/dbraw/zinc/06/76/61/514067661.db2.gz PSDAEPJUCXOCGR-UHFFFAOYSA-N 1 0 357.410 2.855 20 5 FFBDRO CCOC(=O)c1ccnc(NC[C@H]([NH3+])c2ccccc2CC)c1[N+](=O)[O-] ZINC000420279623 514070459 /nfs/dbraw/zinc/07/04/59/514070459.db2.gz PJLRFLOGNCYSCZ-HNNXBMFYSA-N 1 0 358.398 2.841 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C[C@H]1C ZINC000444025921 514101807 /nfs/dbraw/zinc/10/18/07/514101807.db2.gz RVNOJVDCUXYVGB-OLZOCXBDSA-N 1 0 350.419 2.940 20 5 FFBDRO O=C(CN1CCC([C@@H]2CCC[NH2+]2)CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000420343732 514102035 /nfs/dbraw/zinc/10/20/35/514102035.db2.gz RDDOXRJUIXZWOC-AWEZNQCLSA-N 1 0 366.849 2.651 20 5 FFBDRO CC[N@H+](C)CCNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444031721 514103891 /nfs/dbraw/zinc/10/38/91/514103891.db2.gz NOICJQVOWOAKOM-UHFFFAOYSA-N 1 0 359.376 2.641 20 5 FFBDRO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000449189757 514105718 /nfs/dbraw/zinc/10/57/18/514105718.db2.gz MOLKAHBWUOWZAG-GJZGRUSLSA-N 1 0 358.442 2.631 20 5 FFBDRO C[N@@H+]1CCC[C@H]1CNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444035231 514106045 /nfs/dbraw/zinc/10/60/45/514106045.db2.gz JBSDIZJFLNUTFU-LBPRGKRZSA-N 1 0 371.387 2.784 20 5 FFBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000449204068 514111139 /nfs/dbraw/zinc/11/11/39/514111139.db2.gz LXXROKGQEQCMEF-JKSUJKDBSA-N 1 0 360.458 2.635 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000449213751 514115951 /nfs/dbraw/zinc/11/59/51/514115951.db2.gz VRCKWVYYCIIITJ-WCQYABFASA-N 1 0 359.348 2.669 20 5 FFBDRO Cc1cc(OCC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000432197218 514123161 /nfs/dbraw/zinc/12/31/61/514123161.db2.gz WUGCKPYXLHYLQJ-YLJYHZDGSA-N 1 0 369.421 2.844 20 5 FFBDRO [NH3+][C@@H]1CCO[C@H](C2CCN(Cc3ccc(Cl)cc3[N+](=O)[O-])CC2)C1 ZINC000420391078 514125704 /nfs/dbraw/zinc/12/57/04/514125704.db2.gz NXLKOSPLNCTJRR-WBVHZDCISA-N 1 0 353.850 2.967 20 5 FFBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2c(C(N)=O)cccc2[N+](=O)[O-])C1 ZINC000420581457 514190240 /nfs/dbraw/zinc/19/02/40/514190240.db2.gz GZLHVIRLYSEKAS-HIFRSBDPSA-N 1 0 354.410 2.941 20 5 FFBDRO C[C@@]1(F)CNCCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000423692357 514202065 /nfs/dbraw/zinc/20/20/65/514202065.db2.gz QHNJPJQKHQTKKH-CQSZACIVSA-N 1 0 361.826 2.500 20 5 FFBDRO COc1cc(C(=O)N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000452121719 514205929 /nfs/dbraw/zinc/20/59/29/514205929.db2.gz KUQPZBSSNPROOY-TYNCELHUSA-N 1 0 365.405 2.545 20 5 FFBDRO CC[NH+]1CCC(N2CCCN(c3ncc(Cl)cc3[N+](=O)[O-])CC2)CC1 ZINC000420628464 514207023 /nfs/dbraw/zinc/20/70/23/514207023.db2.gz PGUJRUMPGZJCQZ-UHFFFAOYSA-N 1 0 367.881 2.640 20 5 FFBDRO COC[C@]1(C(=O)OC)CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000449460448 514218383 /nfs/dbraw/zinc/21/83/83/514218383.db2.gz ZBDJNDZMFDMVBG-IBGZPJMESA-N 1 0 374.393 2.866 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000414651063 514222233 /nfs/dbraw/zinc/22/22/33/514222233.db2.gz DUELGBKEEDFBLM-UHFFFAOYSA-N 1 0 374.441 2.879 20 5 FFBDRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000449646373 514279155 /nfs/dbraw/zinc/27/91/55/514279155.db2.gz NPEJYBJACXRCQR-MWLCHTKSSA-N 1 0 356.220 2.605 20 5 FFBDRO O=C(NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000449649589 514281843 /nfs/dbraw/zinc/28/18/43/514281843.db2.gz XHODXCQUWUCWFA-MAUKXSAKSA-N 1 0 357.385 2.857 20 5 FFBDRO CCN(CC)S(=O)(=O)CC[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417311447 514288343 /nfs/dbraw/zinc/28/83/43/514288343.db2.gz LVAULVBOFHSUBF-KRWDZBQOSA-N 1 0 369.487 2.624 20 5 FFBDRO COCc1nc2n(n1)C[C@H]([NH2+][C@@H]1CCCCc3ccc([N+](=O)[O-])cc31)CC2 ZINC000417313442 514288397 /nfs/dbraw/zinc/28/83/97/514288397.db2.gz VZJDMBHSIUVPFX-RHSMWYFYSA-N 1 0 371.441 2.705 20 5 FFBDRO CN(C)C(=O)[C@@H]1CC[C@@H](C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)O1 ZINC000417313553 514289304 /nfs/dbraw/zinc/28/93/04/514289304.db2.gz WNSKIGSSMHNOCE-JQHSSLGASA-N 1 0 361.442 2.588 20 5 FFBDRO CC(C)(C)[NH2+]CCNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444679977 514290620 /nfs/dbraw/zinc/29/06/20/514290620.db2.gz ODDHIRBFGFRAOI-UHFFFAOYSA-N 1 0 355.413 2.938 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N(C)C3(C[NH3+])CCC3)cc2[N+](=O)[O-])C1 ZINC000449672410 514295142 /nfs/dbraw/zinc/29/51/42/514295142.db2.gz WBOJQIBSAZMCEQ-CQSZACIVSA-N 1 0 360.458 2.785 20 5 FFBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000423973847 514316947 /nfs/dbraw/zinc/31/69/47/514316947.db2.gz NAJHGTJYAZOCIG-CRAIPNDOSA-N 1 0 360.458 2.778 20 5 FFBDRO C[C@@H]1CN(C(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)C[C@@]1(C)C[NH3+] ZINC000423990676 514325506 /nfs/dbraw/zinc/32/55/06/514325506.db2.gz KSFHQJKYFSDVDD-STXHMFSFSA-N 1 0 374.485 2.888 20 5 FFBDRO COc1cc(C[NH2+][C@H]2C[C@@H](O)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000449748333 514333969 /nfs/dbraw/zinc/33/39/69/514333969.db2.gz LJLVMHOJIYEUFH-IYBDPMFKSA-N 1 0 358.394 2.795 20 5 FFBDRO CCc1ccc(C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000424005172 514334463 /nfs/dbraw/zinc/33/44/63/514334463.db2.gz CCHSZHQNAMAISM-DLBZAZTESA-N 1 0 357.385 2.863 20 5 FFBDRO Cc1c(Br)c(NCC2CC[NH+](C3CC3)CC2)ncc1[N+](=O)[O-] ZINC000444872969 514355340 /nfs/dbraw/zinc/35/53/40/514355340.db2.gz JNMWYOJYFIAODJ-UHFFFAOYSA-N 1 0 369.263 2.769 20 5 FFBDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000424048419 514356414 /nfs/dbraw/zinc/35/64/14/514356414.db2.gz ZSNHWMYDDZLRLG-QFYYESIMSA-N 1 0 371.387 2.830 20 5 FFBDRO Cn1cc(CNC[C@@H]2[NH2+]CCCC2(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000414923043 514357847 /nfs/dbraw/zinc/35/78/47/514357847.db2.gz DRPUYJHPUKZJEZ-KRWDZBQOSA-N 1 0 357.458 2.863 20 5 FFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC000424068911 514367191 /nfs/dbraw/zinc/36/71/91/514367191.db2.gz BFNIBMDBIIXZCS-JSGCOSHPSA-N 1 0 357.435 2.992 20 5 FFBDRO Cc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc([C@@H](C)[NH3+])cc2)cc1[N+](=O)[O-] ZINC000414951835 514372348 /nfs/dbraw/zinc/37/23/48/514372348.db2.gz QEVWPCWCKLKKOY-OLZOCXBDSA-N 1 0 370.409 2.739 20 5 FFBDRO CN(c1ccccc1)c1ccc(CNC[C@H]2C[NH2+]CCCO2)cc1[N+](=O)[O-] ZINC000415046225 514413760 /nfs/dbraw/zinc/41/37/60/514413760.db2.gz UQTGWKKRDKGROT-GOSISDBHSA-N 1 0 370.453 2.831 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+](Cc2ccc3ccccc3c2)C2CC2)c1 ZINC000438828969 514449770 /nfs/dbraw/zinc/44/97/70/514449770.db2.gz IYRUCDATLQAQLF-FQEVSTJZSA-N 1 0 366.421 2.970 20 5 FFBDRO O=C(NCC(F)(F)F)[C@H]1CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000428489110 514484018 /nfs/dbraw/zinc/48/40/18/514484018.db2.gz WJEVSIWTMMXQBD-DXTPNHAXSA-N 1 0 357.332 2.608 20 5 FFBDRO NC(=O)c1cccc(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)c1[N+](=O)[O-] ZINC000439099539 514493068 /nfs/dbraw/zinc/49/30/68/514493068.db2.gz KEGMIAXKFIRPSH-UHFFFAOYSA-N 1 0 372.400 2.545 20 5 FFBDRO O=c1[nH]c(N2CC[NH+](Cc3ccccc3)CC2)nc2ccc([N+](=O)[O-])cc21 ZINC000439133186 514499395 /nfs/dbraw/zinc/49/93/95/514499395.db2.gz YZWKHBVTHIZZHO-UHFFFAOYSA-N 1 0 365.393 2.566 20 5 FFBDRO O=[N+]([O-])c1cccc2c1ccnc2NC[C@]1(N2CCOCC2)CCSC1 ZINC000450270039 514574045 /nfs/dbraw/zinc/57/40/45/514574045.db2.gz PWJRHEJKYSYACU-GOSISDBHSA-N 1 0 374.466 2.763 20 5 FFBDRO CC(C)[N@@H+]1CCC[C@@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000470693025 514577646 /nfs/dbraw/zinc/57/76/46/514577646.db2.gz JOPHYEAOMPPZPI-MRXNPFEDSA-N 1 0 360.458 2.798 20 5 FFBDRO CC(C)NC(=O)c1ccc(NC[C@]2([NH+](C)C)CCSC2)c([N+](=O)[O-])c1 ZINC000479467570 514594636 /nfs/dbraw/zinc/59/46/36/514594636.db2.gz QEKTVGTTYFTJHL-QGZVFWFLSA-N 1 0 366.487 2.582 20 5 FFBDRO C[NH+](C)Cc1ccc(C(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000461399295 514595422 /nfs/dbraw/zinc/59/54/22/514595422.db2.gz BGLNMVUKUZMSEO-UHFFFAOYSA-N 1 0 355.394 2.691 20 5 FFBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCC(=O)N(C)[C@H]2c2ccnn2C)cc1[N+](=O)[O-] ZINC000497723644 514611114 /nfs/dbraw/zinc/61/11/14/514611114.db2.gz VTHDQBDGZFSUHK-ZXYWRSMDSA-N 1 0 371.441 2.649 20 5 FFBDRO Cn1c(C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000461434743 514617003 /nfs/dbraw/zinc/61/70/03/514617003.db2.gz ZCIHLPUNTABPJA-IAGOWNOFSA-N 1 0 368.437 2.527 20 5 FFBDRO CNc1nc(C(=O)NCc2cccc(C[N@H+](C)C(C)C)c2)ccc1[N+](=O)[O-] ZINC000455601935 514623953 /nfs/dbraw/zinc/62/39/53/514623953.db2.gz YRKGUWBMZVOQOT-UHFFFAOYSA-N 1 0 371.441 2.802 20 5 FFBDRO COc1ccc(NC(=O)NCC(C)(C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000484345359 514637575 /nfs/dbraw/zinc/63/75/75/514637575.db2.gz ZIYSUVRSRJGGER-UHFFFAOYSA-N 1 0 350.419 2.847 20 5 FFBDRO CN(C(=O)COc1ccccc1[N+](=O)[O-])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475423152 514656407 /nfs/dbraw/zinc/65/64/07/514656407.db2.gz QIZCPRUNFDAFJS-QGZVFWFLSA-N 1 0 369.421 2.707 20 5 FFBDRO COC[C@@H](CO)[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000475492399 514686103 /nfs/dbraw/zinc/68/61/03/514686103.db2.gz KSSLLSIUJGFBRP-CQSZACIVSA-N 1 0 350.346 2.623 20 5 FFBDRO COc1cc(C[NH2+][C@H](CO)Cc2ccc(C)c(C)c2)c([N+](=O)[O-])cc1OC ZINC000453627742 514736884 /nfs/dbraw/zinc/73/68/84/514736884.db2.gz MSHRFHYRSCLHSX-KRWDZBQOSA-N 1 0 374.437 2.922 20 5 FFBDRO COc1cc(C[NH2+]C[C@H]2CC[C@H](C)O2)c([N+](=O)[O-])cc1OCC(F)F ZINC000453633213 514740696 /nfs/dbraw/zinc/74/06/96/514740696.db2.gz RFYIIXNQFSGAFO-CMPLNLGQSA-N 1 0 360.357 2.904 20 5 FFBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000508325130 514742768 /nfs/dbraw/zinc/74/27/68/514742768.db2.gz LRWSJRJSWLXWFO-CABCVRRESA-N 1 0 371.441 2.631 20 5 FFBDRO CCCC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000502713328 514749942 /nfs/dbraw/zinc/74/99/42/514749942.db2.gz WFPMSVSATRXKMV-HNNXBMFYSA-N 1 0 369.487 2.836 20 5 FFBDRO COc1ccc(OCC[N@@H+]2CCC[C@@]2(CO)CC(C)C)c([N+](=O)[O-])c1 ZINC000475714857 514774021 /nfs/dbraw/zinc/77/40/21/514774021.db2.gz LBPDDTLRJVFTKJ-SFHVURJKSA-N 1 0 352.431 2.855 20 5 FFBDRO COc1c(C(=O)N2C[C@@H]([NH+](C)C)Cc3ccccc32)cccc1[N+](=O)[O-] ZINC000475801764 514816606 /nfs/dbraw/zinc/81/66/06/514816606.db2.gz RTGNGVJPOKDNPE-AWEZNQCLSA-N 1 0 355.394 2.737 20 5 FFBDRO CCC[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000502893769 514831859 /nfs/dbraw/zinc/83/18/59/514831859.db2.gz IVECDHZGRCFBPK-HNNXBMFYSA-N 1 0 359.430 2.921 20 5 FFBDRO CCC[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000502917952 514842064 /nfs/dbraw/zinc/84/20/64/514842064.db2.gz GFOXASMKLNUHIZ-HNNXBMFYSA-N 1 0 359.430 2.921 20 5 FFBDRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000498316825 514857637 /nfs/dbraw/zinc/85/76/37/514857637.db2.gz JQPNYZQNDKZWFO-OAHLLOKOSA-N 1 0 368.437 2.947 20 5 FFBDRO C[NH+](C)C1(CNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CCCCCC1 ZINC000485076674 514903019 /nfs/dbraw/zinc/90/30/19/514903019.db2.gz IIHUGOYYTRNBEX-UHFFFAOYSA-N 1 0 363.414 2.708 20 5 FFBDRO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3cc([N+](=O)[O-])nn3C)cc2)C1 ZINC000476076466 514908735 /nfs/dbraw/zinc/90/87/35/514908735.db2.gz VTXBQERAQOMATM-CYBMUJFWSA-N 1 0 357.414 2.813 20 5 FFBDRO CCCN(CC[NH+]1CCCC1)C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000480347193 514928960 /nfs/dbraw/zinc/92/89/60/514928960.db2.gz JNKPIBMGELJZOW-UHFFFAOYSA-N 1 0 350.419 2.943 20 5 FFBDRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000498498784 514932560 /nfs/dbraw/zinc/93/25/60/514932560.db2.gz ZPWZEOFTAVKBGD-MRXNPFEDSA-N 1 0 368.865 2.772 20 5 FFBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000503194243 514952397 /nfs/dbraw/zinc/95/23/97/514952397.db2.gz WBNADXRVWHURFX-SFHVURJKSA-N 1 0 371.485 2.891 20 5 FFBDRO CC[N@@H+]1C[C@H](C)N(C(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000498566547 514972164 /nfs/dbraw/zinc/97/21/64/514972164.db2.gz LIQZVJFBCGBESP-AGIUHOORSA-N 1 0 369.849 2.957 20 5 FFBDRO C[N@H+](CCOc1ccc(Br)cc1)CCn1cc([N+](=O)[O-])cn1 ZINC000471701786 514985703 /nfs/dbraw/zinc/98/57/03/514985703.db2.gz QUWYWCKIRLZNMU-UHFFFAOYSA-N 1 0 369.219 2.565 20 5 FFBDRO O=C(C1CC1)N1CCC([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000480533463 514990538 /nfs/dbraw/zinc/99/05/38/514990538.db2.gz XJUJOHJWVXNCEN-SFHVURJKSA-N 1 0 357.454 2.907 20 5 FFBDRO C[C@H](CC[NH+](C)C)NC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000498648752 515010382 /nfs/dbraw/zinc/01/03/82/515010382.db2.gz KDVKYNYYNOFTSE-HUUCEWRRSA-N 1 0 362.474 2.901 20 5 FFBDRO C[C@@H]1CC[N@H+](C)CCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000498723814 515040694 /nfs/dbraw/zinc/04/06/94/515040694.db2.gz YXRXFWWKVGBSNX-GFCCVEGCSA-N 1 0 360.439 2.885 20 5 FFBDRO Cc1ccc(C)c(S(=O)(=O)NCC[C@@H](C)[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000480695586 515046556 /nfs/dbraw/zinc/04/65/56/515046556.db2.gz SDMJBSHSZCARSO-OAHLLOKOSA-N 1 0 369.487 2.754 20 5 FFBDRO Cc1ccc(C)c(S(=O)(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000480699815 515048490 /nfs/dbraw/zinc/04/84/90/515048490.db2.gz PJLIRYHJBRACAJ-DOMZBBRYSA-N 1 0 369.487 2.610 20 5 FFBDRO CCOC(=O)c1cc(NC[C@@H]2C[N@H+](CC(C)C)CCO2)ccc1[N+](=O)[O-] ZINC000467735029 515097503 /nfs/dbraw/zinc/09/75/03/515097503.db2.gz VZDFOWYXONWYTO-OAHLLOKOSA-N 1 0 365.430 2.540 20 5 FFBDRO CCOC(=O)c1cc(NC[C@H]2C[N@H+](CC(C)C)CCO2)ccc1[N+](=O)[O-] ZINC000467735028 515098220 /nfs/dbraw/zinc/09/82/20/515098220.db2.gz VZDFOWYXONWYTO-HNNXBMFYSA-N 1 0 365.430 2.540 20 5 FFBDRO O=[N+]([O-])c1cccc([C@@H](NC[C@H](O)C[NH+]2CCCC2)c2ccccc2)c1 ZINC000490149311 515122041 /nfs/dbraw/zinc/12/20/41/515122041.db2.gz ITGFSVNKUFKHFO-PMACEKPBSA-N 1 0 355.438 2.731 20 5 FFBDRO CC[NH+](CC)[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)Cc1ccccc1 ZINC000485644428 515125194 /nfs/dbraw/zinc/12/51/94/515125194.db2.gz NYKHNDJSQMJHJC-MRXNPFEDSA-N 1 0 370.453 2.860 20 5 FFBDRO C[C@@H]([NH2+]Cc1ccc([C@@]2(C)NC(=O)NC2=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000467834309 515142427 /nfs/dbraw/zinc/14/24/27/515142427.db2.gz QLPVBRUPAPDUKI-CWTRNNRKSA-N 1 0 368.393 2.500 20 5 FFBDRO COc1cc(C[N@H+](CCO)CC2CCCCC2)c([N+](=O)[O-])cc1OC ZINC000485727963 515161220 /nfs/dbraw/zinc/16/12/20/515161220.db2.gz YHOLAHONODLCGN-UHFFFAOYSA-N 1 0 352.431 2.987 20 5 FFBDRO COc1cc(C[NH2+]C2CCC(O)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000491035697 515362719 /nfs/dbraw/zinc/36/27/19/515362719.db2.gz JQLIJBOAKOWLPU-UHFFFAOYSA-N 1 0 360.357 2.640 20 5 FFBDRO O=C(Cc1ccccc1)N1CCC[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000509948772 515378557 /nfs/dbraw/zinc/37/85/57/515378557.db2.gz LMVCUVWQDAZVOQ-MRXNPFEDSA-N 1 0 359.451 2.980 20 5 FFBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463135233 515379406 /nfs/dbraw/zinc/37/94/06/515379406.db2.gz WBYQMCCWWMJFQQ-NEPJUHHUSA-N 1 0 357.332 2.970 20 5 FFBDRO O=C(Cc1ccccc1)N1CCC[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000509961087 515383347 /nfs/dbraw/zinc/38/33/47/515383347.db2.gz XJCJQHZJOJQQEE-SFHVURJKSA-N 1 0 353.422 2.918 20 5 FFBDRO COc1cc(CN2CC[N@H+](C)CC[C@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000491152180 515386334 /nfs/dbraw/zinc/38/63/34/515386334.db2.gz YWFNRJFEOIURCU-GFCCVEGCSA-N 1 0 373.400 2.773 20 5 FFBDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000472761961 515387563 /nfs/dbraw/zinc/38/75/63/515387563.db2.gz AAQNOMJXUMNHHX-INIZCTEOSA-N 1 0 364.446 2.868 20 5 FFBDRO C[C@@H]1CCC[C@@](CNC(=O)CN(C)c2ccccc2[N+](=O)[O-])([NH+](C)C)C1 ZINC000463194397 515390861 /nfs/dbraw/zinc/39/08/61/515390861.db2.gz YYLSMKPBRAIMAH-DNVCBOLYSA-N 1 0 362.474 2.658 20 5 FFBDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000486235948 515392621 /nfs/dbraw/zinc/39/26/21/515392621.db2.gz SEFJQGQUCHJCNW-TXEJJXNPSA-N 1 0 355.385 2.795 20 5 FFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)CN1CCOCC1 ZINC000504894997 515403790 /nfs/dbraw/zinc/40/37/90/515403790.db2.gz QADAZMGFGVYJKG-CABCVRRESA-N 1 0 353.488 2.776 20 5 FFBDRO COC(=O)c1ccccc1CC1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000463224822 515405529 /nfs/dbraw/zinc/40/55/29/515405529.db2.gz XEHIWRQTCKMBCO-UHFFFAOYSA-N 1 0 372.425 2.533 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(N(C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000491322047 515413350 /nfs/dbraw/zinc/41/33/50/515413350.db2.gz KHODGBBNKRQASE-HXUWFJFHSA-N 1 0 355.438 2.976 20 5 FFBDRO CNc1nc(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000454372389 515438007 /nfs/dbraw/zinc/43/80/07/515438007.db2.gz ILOFORSZODPUCI-KRWDZBQOSA-N 1 0 369.425 2.598 20 5 FFBDRO CCCNC(=O)CN1CCC([NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000468632875 515447244 /nfs/dbraw/zinc/44/72/44/515447244.db2.gz VKVFKRFHRJOIEK-FOWTUZBSSA-N 1 0 374.485 2.578 20 5 FFBDRO C[C@H]1C[C@H](CCNC(=O)c2ccc([N+](=O)[O-])n2C)C[N@@H+]1Cc1ccccc1 ZINC000510150548 515451405 /nfs/dbraw/zinc/45/14/05/515451405.db2.gz WMKVEKYAKKDKMB-RDJZCZTQSA-N 1 0 370.453 2.964 20 5 FFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CCCN(c2cnn(C)c2)C1 ZINC000468651555 515453127 /nfs/dbraw/zinc/45/31/27/515453127.db2.gz ZXWSFLVXCLVUOK-KAKTVLCNSA-N 1 0 355.442 2.990 20 5 FFBDRO CC[N@H+](CCNc1ccc(C(=O)NC)cc1[N+](=O)[O-])CCC(F)(F)F ZINC000491581336 515454801 /nfs/dbraw/zinc/45/48/01/515454801.db2.gz LKXFXDOTKAHIBM-UHFFFAOYSA-N 1 0 362.352 2.641 20 5 FFBDRO CC1=CC[N@H+](CCNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000499894514 515496378 /nfs/dbraw/zinc/49/63/78/515496378.db2.gz LXMYRYLMEZCUBE-UHFFFAOYSA-N 1 0 357.332 2.995 20 5 FFBDRO CO[C@@H](CC[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000468769632 515511398 /nfs/dbraw/zinc/51/13/98/515511398.db2.gz AOXRGINWOGFCTM-GWCFXTLKSA-N 1 0 363.336 2.869 20 5 FFBDRO CC[C@H](C)[NH2+][C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000510440755 515540549 /nfs/dbraw/zinc/54/05/49/515540549.db2.gz DCVWLNCZMOBQAM-WFASDCNBSA-N 1 0 367.427 2.596 20 5 FFBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C ZINC000468834054 515542786 /nfs/dbraw/zinc/54/27/86/515542786.db2.gz DWQGODBFPHGSKB-OAHLLOKOSA-N 1 0 373.413 2.514 20 5 FFBDRO CNc1nc(C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000454512877 515543595 /nfs/dbraw/zinc/54/35/95/515543595.db2.gz CXKYCLAHBBYAKB-INIZCTEOSA-N 1 0 369.425 2.598 20 5 FFBDRO C[NH+](C)[C@@H]1CCOc2c(NC(=O)COc3ccccc3[N+](=O)[O-])cccc21 ZINC000468939327 515591895 /nfs/dbraw/zinc/59/18/95/515591895.db2.gz KQFHQHHSJBMNKT-OAHLLOKOSA-N 1 0 371.393 2.998 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)CC[NH+](C(C)C)C(C)C ZINC000505840931 515692982 /nfs/dbraw/zinc/69/29/82/515692982.db2.gz RZQXFIQHAGDSIU-UHFFFAOYSA-N 1 0 350.463 2.892 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CC[C@H](COc3ccccc3)C2)c1 ZINC000505861691 515699702 /nfs/dbraw/zinc/69/97/02/515699702.db2.gz FIXCDQCAKZAZGB-WMZOPIPTSA-N 1 0 372.421 2.735 20 5 FFBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000486962633 515700837 /nfs/dbraw/zinc/70/08/37/515700837.db2.gz GTHQIDKWQARGOS-HUUCEWRRSA-N 1 0 366.849 2.717 20 5 FFBDRO CC(C)[NH+](CCN(C)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])C(C)C ZINC000505862645 515701291 /nfs/dbraw/zinc/70/12/91/515701291.db2.gz NAJWKIBOFJQPKR-HNNXBMFYSA-N 1 0 350.463 2.972 20 5 FFBDRO CC[C@H](C)[N@H+](C)CCNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000486969532 515702601 /nfs/dbraw/zinc/70/26/01/515702601.db2.gz HSCOPJGGULXKIM-LBPRGKRZSA-N 1 0 356.854 2.820 20 5 FFBDRO C[C@H]1[C@@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1Cc1ccccc1 ZINC000494040591 515718695 /nfs/dbraw/zinc/71/86/95/515718695.db2.gz YDJCFHMSDKABAH-KXBFYZLASA-N 1 0 369.421 2.753 20 5 FFBDRO CN(c1ccccc1)c1ccc(C[N@@H+]2CCC[C@](O)(CO)C2)cc1[N+](=O)[O-] ZINC000459704673 515756653 /nfs/dbraw/zinc/75/66/53/515756653.db2.gz HSQOYIGWTODPBL-HXUWFJFHSA-N 1 0 371.437 2.682 20 5 FFBDRO CC(=O)Nc1ccc(NC(=O)CN(C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000511105682 515782514 /nfs/dbraw/zinc/78/25/14/515782514.db2.gz JTYRRNPJSYOLGX-UHFFFAOYSA-N 1 0 370.409 2.666 20 5 FFBDRO Cc1ccc(S(=O)(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000473903404 515795961 /nfs/dbraw/zinc/79/59/61/515795961.db2.gz HGXXVUGOHQRNHR-INIZCTEOSA-N 1 0 369.487 2.692 20 5 FFBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000459802940 515816789 /nfs/dbraw/zinc/81/67/89/515816789.db2.gz NFGCFRJBYHZJIS-DOPJRALCSA-N 1 0 361.442 2.795 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+]C(C)(C)c2ccc(C)nc2)cc1[N+](=O)[O-] ZINC000473989706 515833161 /nfs/dbraw/zinc/83/31/61/515833161.db2.gz LZGIDXNSHAVCQI-UHFFFAOYSA-N 1 0 373.409 2.875 20 5 FFBDRO CNc1nc(C(=O)N(CC[NH+](C)C)CC2CCCCC2)ccc1[N+](=O)[O-] ZINC000454965973 515864102 /nfs/dbraw/zinc/86/41/02/515864102.db2.gz QLRPGYPBEFMDJL-UHFFFAOYSA-N 1 0 363.462 2.616 20 5 FFBDRO COc1c(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000474091543 515877289 /nfs/dbraw/zinc/87/72/89/515877289.db2.gz XIPRCMSZNPLKSY-UHFFFAOYSA-N 1 0 369.421 2.998 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)Cc1cnccc1C ZINC000483010448 515881138 /nfs/dbraw/zinc/88/11/38/515881138.db2.gz BMGFMBAQSJXOHO-UHFFFAOYSA-N 1 0 358.398 2.767 20 5 FFBDRO CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000455034218 515909065 /nfs/dbraw/zinc/90/90/65/515909065.db2.gz MMYMHIVCXQFLKX-UHFFFAOYSA-N 1 0 363.462 2.776 20 5 FFBDRO Cc1ccsc1[C@@H](CO)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000494686502 515923513 /nfs/dbraw/zinc/92/35/13/515923513.db2.gz OGFZTBVHJRLSJR-CYBMUJFWSA-N 1 0 369.830 2.880 20 5 FFBDRO C[C@H]1C[C@@H](NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000487838945 516000081 /nfs/dbraw/zinc/00/00/81/516000081.db2.gz OGNRVOFGNIAEHK-FZMZJTMJSA-N 1 0 354.838 2.573 20 5 FFBDRO CNc1nc(C(=O)N2CCC[C@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)ccc1[N+](=O)[O-] ZINC000455215793 516045928 /nfs/dbraw/zinc/04/59/28/516045928.db2.gz WGIWGPBHEUJMQR-MJBXVCDLSA-N 1 0 361.446 2.509 20 5 FFBDRO CC1=CC[N@H+](CCNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CC1 ZINC000460223620 516075232 /nfs/dbraw/zinc/07/52/32/516075232.db2.gz YRGVNUUEDOYSNC-UHFFFAOYSA-N 1 0 358.442 2.921 20 5 FFBDRO C[C@@H]1CN(c2c3ccccc3ncc2[N+](=O)[O-])CC[C@H]1[NH+]1CCN(C)CC1 ZINC000488093075 516114022 /nfs/dbraw/zinc/11/40/22/516114022.db2.gz GCEAHFFWXAHQML-CRAIPNDOSA-N 1 0 369.469 2.605 20 5 FFBDRO C[C@@H]1C[N@@H+](CCCCNc2c3ccccc3ncc2[N+](=O)[O-])C[C@H](C)O1 ZINC000488112778 516120845 /nfs/dbraw/zinc/12/08/45/516120845.db2.gz IJXLEUAWJUFKJQ-GASCZTMLSA-N 1 0 358.442 2.866 20 5 FFBDRO O=[N+]([O-])c1cnc2ccccc2c1NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000488116227 516122944 /nfs/dbraw/zinc/12/29/44/516122944.db2.gz NOSQGGLAEAIBBD-PKOBYXMFSA-N 1 0 370.453 2.745 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[NH+]([C@H](C)CC)CC1 ZINC000455359701 516148090 /nfs/dbraw/zinc/14/80/90/516148090.db2.gz ODHKGRKFOXBZCP-CYBMUJFWSA-N 1 0 350.419 2.942 20 5 FFBDRO O=C(NCCc1ccccc1[N+](=O)[O-])[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000460493324 516169738 /nfs/dbraw/zinc/16/97/38/516169738.db2.gz RQOCMJGTNVNQMY-IBGZPJMESA-N 1 0 353.422 2.918 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C[C@H]1C ZINC000495473971 516175360 /nfs/dbraw/zinc/17/53/60/516175360.db2.gz KSTISRNWMBNZTH-CABCVRRESA-N 1 0 371.441 2.725 20 5 FFBDRO COc1c(C(=O)NC[C@H](C)[N@@H+]2CCc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000474777980 516192607 /nfs/dbraw/zinc/19/26/07/516192607.db2.gz YJOXUTMQZHEPFS-AWEZNQCLSA-N 1 0 369.421 2.780 20 5 FFBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC000488383471 516210018 /nfs/dbraw/zinc/21/00/18/516210018.db2.gz KNFUWARYXGUCJV-QWHCGFSZSA-N 1 0 368.865 2.915 20 5 FFBDRO O=C(Cc1ccccc1[N+](=O)[O-])Nc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC000488662007 516283654 /nfs/dbraw/zinc/28/36/54/516283654.db2.gz UAEVOJUKVVHTDX-UHFFFAOYSA-N 1 0 369.421 2.733 20 5 FFBDRO CSC1(CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC[NH+](C)CC1 ZINC000460974223 516295573 /nfs/dbraw/zinc/29/55/73/516295573.db2.gz SAGQYQPNDRSAGS-UHFFFAOYSA-N 1 0 362.455 2.633 20 5 FFBDRO O=[N+]([O-])c1ccn(C2CC[NH+](CCOCCOc3ccccc3)CC2)n1 ZINC000488765195 516303213 /nfs/dbraw/zinc/30/32/13/516303213.db2.gz HOHYYRKWCQBJNL-UHFFFAOYSA-N 1 0 360.414 2.524 20 5 FFBDRO CC[C@@H]1C[C@H](C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)CCO1 ZINC000507808851 516305106 /nfs/dbraw/zinc/30/51/06/516305106.db2.gz WVOOXLZSGPRBEB-CRAIPNDOSA-N 1 0 361.442 2.558 20 5 FFBDRO Cc1ccc(C[NH2+]CCCN2C(=O)c3ccccc3C2=O)cc1[N+](=O)[O-] ZINC000512912315 516410732 /nfs/dbraw/zinc/41/07/32/516410732.db2.gz CLEZXJXTOLMNLL-UHFFFAOYSA-N 1 0 353.378 2.679 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)n1 ZINC000543794676 516432818 /nfs/dbraw/zinc/43/28/18/516432818.db2.gz VCJXXUKQSIWQKX-UHFFFAOYSA-N 1 0 361.490 2.601 20 5 FFBDRO Cn1cnc(CC[NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)n1 ZINC000531523972 516507644 /nfs/dbraw/zinc/50/76/44/516507644.db2.gz GSEXDWBBMQYAIN-UHFFFAOYSA-N 1 0 371.372 2.987 20 5 FFBDRO Cc1cc(NCCc2ccc(OCC[NH+]3CCCC3)cc2)ncc1[N+](=O)[O-] ZINC000540332758 516515260 /nfs/dbraw/zinc/51/52/60/516515260.db2.gz DUVCXOZPCYWAAM-UHFFFAOYSA-N 1 0 370.453 2.849 20 5 FFBDRO C[NH+](C)C[C@H](NC(=O)COc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000557956718 516524044 /nfs/dbraw/zinc/52/40/44/516524044.db2.gz ZVWSOBSOBBQXFQ-KRWDZBQOSA-N 1 0 361.373 2.532 20 5 FFBDRO CCCN(CC[NH+]1CCCCC1)c1nccc(C(=O)OCC)c1[N+](=O)[O-] ZINC000561379430 516551910 /nfs/dbraw/zinc/55/19/10/516551910.db2.gz RQNKROWLUZROGP-UHFFFAOYSA-N 1 0 364.446 2.869 20 5 FFBDRO C[C@H]1CCC[C@@](CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)([NH+](C)C)C1 ZINC000524311895 516692305 /nfs/dbraw/zinc/69/23/05/516692305.db2.gz OAZFYYOVRSEPLX-KPZWWZAWSA-N 1 0 363.414 2.564 20 5 FFBDRO C[N@@H+]1CCN(CCOc2ccccc2[N+](=O)[O-])C[C@H]1Cc1ccccc1 ZINC000551402252 516694423 /nfs/dbraw/zinc/69/44/23/516694423.db2.gz ZZGNKEGQHUJOKN-GOSISDBHSA-N 1 0 355.438 2.832 20 5 FFBDRO CCNC(=O)C[C@@H]1CCCC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000551424830 516703355 /nfs/dbraw/zinc/70/33/55/516703355.db2.gz PGNMJRXIAKMSCK-HNNXBMFYSA-N 1 0 373.413 2.526 20 5 FFBDRO C[C@@H](CCNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)[NH+]1CCCCC1 ZINC000544330582 516704839 /nfs/dbraw/zinc/70/48/39/516704839.db2.gz MTOHYSFORBUDNL-HNNXBMFYSA-N 1 0 360.458 2.927 20 5 FFBDRO CC[C@H]([NH2+]C[C@@H](O)COc1ccc2c(c1)OCO2)c1cccc([N+](=O)[O-])c1 ZINC000531951607 516728895 /nfs/dbraw/zinc/72/88/95/516728895.db2.gz YMXQWHJLVSETPT-WBVHZDCISA-N 1 0 374.393 2.804 20 5 FFBDRO Cc1c(Br)c(N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)ncc1[N+](=O)[O-] ZINC000544393285 516739581 /nfs/dbraw/zinc/73/95/81/516739581.db2.gz FNFIUCLANFGYRZ-MWLCHTKSSA-N 1 0 357.252 2.837 20 5 FFBDRO CC[C@@H]([NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-])c1c(C)nn(C)c1C ZINC000544418072 516751053 /nfs/dbraw/zinc/75/10/53/516751053.db2.gz KGVCGKDTEYNVPK-CQSZACIVSA-N 1 0 359.430 2.933 20 5 FFBDRO CC[C@H]([NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-])c1c(C)nn(C)c1C ZINC000544418071 516751803 /nfs/dbraw/zinc/75/18/03/516751803.db2.gz KGVCGKDTEYNVPK-AWEZNQCLSA-N 1 0 359.430 2.933 20 5 FFBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+][C@H]2C[C@@H]2C(F)F)c1 ZINC000558492071 516775539 /nfs/dbraw/zinc/77/55/39/516775539.db2.gz PJJZRSYOKDYMAF-UWVGGRQHSA-N 1 0 368.121 2.943 20 5 FFBDRO C[C@H]1CCC[N@H+](CCCCNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000518788643 516775909 /nfs/dbraw/zinc/77/59/09/516775909.db2.gz YHHHSZYSCATGAZ-ZDUSSCGKSA-N 1 0 363.414 2.565 20 5 FFBDRO CC[C@H]([NH2+]CC1CCN(S(=O)(=O)CC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000544601966 516832240 /nfs/dbraw/zinc/83/22/40/516832240.db2.gz GCTGTLZUTCPOPD-KRWDZBQOSA-N 1 0 369.487 2.697 20 5 FFBDRO NC(=O)[C@H](C[NH2+]Cc1csc([N+](=O)[O-])c1)Cc1ccccc1Cl ZINC000544600386 516832678 /nfs/dbraw/zinc/83/26/78/516832678.db2.gz QOOGABGVJFOHJI-LBPRGKRZSA-N 1 0 353.831 2.744 20 5 FFBDRO COc1ccc(NC(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000541100986 516876155 /nfs/dbraw/zinc/87/61/55/516876155.db2.gz LXFVLMXPECMTQV-QWHCGFSZSA-N 1 0 350.419 2.845 20 5 FFBDRO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000514208513 516903208 /nfs/dbraw/zinc/90/32/08/516903208.db2.gz MSWZHLFAPCCUSS-GFCCVEGCSA-N 1 0 369.368 2.943 20 5 FFBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000514212110 516904970 /nfs/dbraw/zinc/90/49/70/516904970.db2.gz BFVYBZUIPCHYJY-ZYHUDNBSSA-N 1 0 357.357 2.608 20 5 FFBDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532398385 516953343 /nfs/dbraw/zinc/95/33/43/516953343.db2.gz OMJSCJYGEXYFKH-QWHZDKJVSA-N 1 0 368.437 2.876 20 5 FFBDRO C[N@@H+]1CCCC[C@H]1CCC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000562214790 516960970 /nfs/dbraw/zinc/96/09/70/516960970.db2.gz VEPWXUKCGRWVNA-HNNXBMFYSA-N 1 0 358.442 2.999 20 5 FFBDRO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H](C)O1 ZINC000548508508 517024289 /nfs/dbraw/zinc/02/42/89/517024289.db2.gz JHNDNOVRXYFPCX-LZWOXQAQSA-N 1 0 373.457 2.545 20 5 FFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1cc([N+](=O)[O-])cn1C ZINC000525385268 517024977 /nfs/dbraw/zinc/02/49/77/517024977.db2.gz SLPUPTWZJHSQSH-OAHLLOKOSA-N 1 0 356.426 2.670 20 5 FFBDRO C[C@@H](C(=O)N1CCN(Cc2cccc(O)c2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000555736785 517092790 /nfs/dbraw/zinc/09/27/90/517092790.db2.gz LVPGELWFRXIZKF-OAHLLOKOSA-N 1 0 369.421 2.748 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2cc([N+](=O)[O-])ccc2OC)C[C@@H]1C ZINC000541525053 517094856 /nfs/dbraw/zinc/09/48/56/517094856.db2.gz WEWAJIPSKXKSAW-DZGCQCFKSA-N 1 0 364.446 2.618 20 5 FFBDRO C[C@](O)(C1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1)C(F)(F)F ZINC000545224944 517116386 /nfs/dbraw/zinc/11/63/86/517116386.db2.gz YRORVZPTVRXRJE-HNNXBMFYSA-N 1 0 362.348 2.999 20 5 FFBDRO COc1cccc(Cl)c1C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000514933372 517131377 /nfs/dbraw/zinc/13/13/77/517131377.db2.gz VJZXHBLKAWDZMS-CYBMUJFWSA-N 1 0 366.801 2.786 20 5 FFBDRO CCOc1ccc(C(=O)Nc2ccnc(OCC[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000537329741 517145589 /nfs/dbraw/zinc/14/55/89/517145589.db2.gz FJQNWDGQENQXEX-UHFFFAOYSA-N 1 0 374.397 2.581 20 5 FFBDRO C[NH+](C)CC1(CNC(=O)CSc2ccccc2[N+](=O)[O-])CCCC1 ZINC000545355199 517194790 /nfs/dbraw/zinc/19/47/90/517194790.db2.gz VWCAWBFEGYMJJZ-UHFFFAOYSA-N 1 0 351.472 2.925 20 5 FFBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@H]([NH+]2CCCC2)C1 ZINC000541851578 517251336 /nfs/dbraw/zinc/25/13/36/517251336.db2.gz IVBDWRXQZYZCHR-HNNXBMFYSA-N 1 0 366.849 2.670 20 5 FFBDRO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2ccc(Cl)cc2-n2cncn2)cc1 ZINC000525985564 517276084 /nfs/dbraw/zinc/27/60/84/517276084.db2.gz FPDGQBVZGXLIRR-UHFFFAOYSA-N 1 0 373.800 2.998 20 5 FFBDRO COc1cc(C)c(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(C)n1 ZINC000541927963 517296968 /nfs/dbraw/zinc/29/69/68/517296968.db2.gz RKOLKZRJJPPAQB-CQSZACIVSA-N 1 0 357.414 2.697 20 5 FFBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H](O)COc1cccc2[nH]ccc21 ZINC000548934231 517312578 /nfs/dbraw/zinc/31/25/78/517312578.db2.gz XFPXIEAISVUTKJ-KRWDZBQOSA-N 1 0 369.421 2.990 20 5 FFBDRO C[N@@H+]1CC[C@H](c2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)C1 ZINC000545762748 517358870 /nfs/dbraw/zinc/35/88/70/517358870.db2.gz PYIWRHFHAQMJOL-JTQLQIEISA-N 1 0 367.203 2.750 20 5 FFBDRO CCc1ccc([C@H](CNC(=O)c2c[nH]nc2[N+](=O)[O-])[NH+](CC)CC)cc1 ZINC000556321811 517370088 /nfs/dbraw/zinc/37/00/88/517370088.db2.gz IBSGQVKQUSLAJH-INIZCTEOSA-N 1 0 359.430 2.693 20 5 FFBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+](Cc1cccnc1)C1CC1 ZINC000537861044 517383940 /nfs/dbraw/zinc/38/39/40/517383940.db2.gz ZMJSMDRRNWODMJ-UHFFFAOYSA-N 1 0 368.393 2.952 20 5 FFBDRO CN(C)C(=O)C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000552913630 517441094 /nfs/dbraw/zinc/44/10/94/517441094.db2.gz OTVGODSUUAROKH-SFHVURJKSA-N 1 0 357.410 2.783 20 5 FFBDRO CCOc1ccc(NC(=O)C[N@H+](C[C@@H](C)OC)C(C)C)c([N+](=O)[O-])c1 ZINC000533429479 517457896 /nfs/dbraw/zinc/45/78/96/517457896.db2.gz CAQIRLYOFSYEBJ-CYBMUJFWSA-N 1 0 353.419 2.677 20 5 FFBDRO C[C@@H]1C[NH+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C[C@@H](C)S1 ZINC000533428224 517458746 /nfs/dbraw/zinc/45/87/46/517458746.db2.gz HORTZZVBUADNPY-VXGBXAGGSA-N 1 0 351.428 2.719 20 5 FFBDRO Cc1c([C@H](C)[NH2+]C[C@@H]2CC(=O)N(C)[C@H]2c2nccn2C)cccc1[N+](=O)[O-] ZINC000556707266 517588429 /nfs/dbraw/zinc/58/84/29/517588429.db2.gz KTWQNRGJSIHTTI-SUNYJGFJSA-N 1 0 371.441 2.507 20 5 FFBDRO COc1cc(C[C@@H](CO)C[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc(OC)c1 ZINC000538412191 517609737 /nfs/dbraw/zinc/60/97/37/517609737.db2.gz KCVVKJCLYKFLEW-MRXNPFEDSA-N 1 0 360.410 2.553 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1CN1CC[N@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000560169096 517617237 /nfs/dbraw/zinc/61/72/37/517617237.db2.gz YKMFBWYPFPABGK-IBGZPJMESA-N 1 0 355.438 2.962 20 5 FFBDRO Cc1c(Br)c(N2CC[C@]3(C2)CCC[N@@H+](C)C3)ncc1[N+](=O)[O-] ZINC000549576843 517624932 /nfs/dbraw/zinc/62/49/32/517624932.db2.gz DCFHCFRBFQCFQP-OAHLLOKOSA-N 1 0 369.263 2.983 20 5 FFBDRO C[C@@H](O)C[N@@H+]1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H](C)C1 ZINC000560275426 517672630 /nfs/dbraw/zinc/67/26/30/517672630.db2.gz VBBOPQKRCZQAKQ-LSDHHAIUSA-N 1 0 359.426 2.742 20 5 FFBDRO C[C@H]1C[C@@H](N(C)C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1C ZINC000546540142 517715978 /nfs/dbraw/zinc/71/59/78/517715978.db2.gz SRKHJYDXAPSIHT-STQMWFEESA-N 1 0 351.422 2.953 20 5 FFBDRO Cc1ccccc1[C@H]([C@H](C)Nc1nccc(C(N)=O)c1[N+](=O)[O-])[NH+](C)C ZINC000516520876 517721632 /nfs/dbraw/zinc/72/16/32/517721632.db2.gz VRAVGXJJVJJRSQ-WFASDCNBSA-N 1 0 357.414 2.500 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H]2CC=C(c3ccc(F)cc3)CC2)c1 ZINC000521428241 517726724 /nfs/dbraw/zinc/72/67/24/517726724.db2.gz CFJXRLIOJMZWHK-AEFFLSMTSA-N 1 0 360.389 2.517 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC([N@H+](C)Cc3ccccc3)C2)c1 ZINC000553506086 517753593 /nfs/dbraw/zinc/75/35/93/517753593.db2.gz ACINJJUTQOEVLC-UHFFFAOYSA-N 1 0 369.421 2.950 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000553509894 517755459 /nfs/dbraw/zinc/75/54/59/517755459.db2.gz KQXXNGGCCAJGHO-HNNXBMFYSA-N 1 0 361.442 2.858 20 5 FFBDRO COc1cc(CN2CC[C@H](C[N@H+](C)CC3CC3)C2)c([N+](=O)[O-])cc1OC ZINC000538749777 517762054 /nfs/dbraw/zinc/76/20/54/517762054.db2.gz GBGFXWLJHBIFHZ-OAHLLOKOSA-N 1 0 363.458 2.776 20 5 FFBDRO COc1cc(C[NH2+]Cc2ccccc2Cn2ccnc2)c([N+](=O)[O-])cc1O ZINC000553575965 517793756 /nfs/dbraw/zinc/79/37/56/517793756.db2.gz RZMJKGRSXIWULG-UHFFFAOYSA-N 1 0 368.393 2.844 20 5 FFBDRO CCOc1cc(N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)ccc1[N+](=O)[O-] ZINC000538937459 517852696 /nfs/dbraw/zinc/85/26/96/517852696.db2.gz IQFLLROWCMTRFT-KRWDZBQOSA-N 1 0 362.474 2.598 20 5 FFBDRO CC(C)(CO)[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000550102269 517862605 /nfs/dbraw/zinc/86/26/05/517862605.db2.gz KDBNFWCKPTXBDU-OAHLLOKOSA-N 1 0 355.822 2.573 20 5 FFBDRO Cn1ccnc1[C@@H](N[C@H]1CCC[C@@H]([NH+](C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000560531848 517876995 /nfs/dbraw/zinc/87/69/95/517876995.db2.gz ZYPDRTHMLLVQKR-JZXOWHBKSA-N 1 0 357.458 2.880 20 5 FFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000563417333 517892348 /nfs/dbraw/zinc/89/23/48/517892348.db2.gz LUCJDXNTBIANLB-UWVAXJGDSA-N 1 0 367.449 2.807 20 5 FFBDRO C[C@@H](CCC1CCCC1)[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000539074220 517905411 /nfs/dbraw/zinc/90/54/11/517905411.db2.gz XHPDDVDBSKPRPV-AWEZNQCLSA-N 1 0 369.487 2.822 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C1CCN(S(=O)(=O)C2CC2)CC1 ZINC000539118863 517921838 /nfs/dbraw/zinc/92/18/38/517921838.db2.gz IDLDYBHEPJKMJE-ZDUSSCGKSA-N 1 0 367.471 2.510 20 5 FFBDRO CCOc1ccc([C@H](C)[NH2+]CCn2cc([N+](=O)[O-])ccc2=O)cc1OC ZINC000539266294 517973115 /nfs/dbraw/zinc/97/31/15/517973115.db2.gz LLBWYLORWWQORY-ZDUSSCGKSA-N 1 0 361.398 2.515 20 5 FFBDRO C[N@@H+]1CC[C@@](O)(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000547284771 518058434 /nfs/dbraw/zinc/05/84/34/518058434.db2.gz JZQLXKJXMJJXNB-QGZVFWFLSA-N 1 0 365.817 2.664 20 5 FFBDRO O=[N+]([O-])c1cccc(F)c1NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000557559399 518076806 /nfs/dbraw/zinc/07/68/06/518076806.db2.gz WMWGXKJBZAEIKQ-UHFFFAOYSA-N 1 0 374.420 2.538 20 5 FFBDRO C[NH+](C)CCNC(=O)c1cccc(CNc2c(F)cccc2[N+](=O)[O-])c1 ZINC000557570768 518082996 /nfs/dbraw/zinc/08/29/96/518082996.db2.gz SCHRHQOVIDHOOM-UHFFFAOYSA-N 1 0 360.389 2.637 20 5 FFBDRO CCC[C@H]1CN(C(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1CCOC ZINC000563849085 518148567 /nfs/dbraw/zinc/14/85/67/518148567.db2.gz HPARUKZBKHDBRX-YJBOKZPZSA-N 1 0 363.458 2.658 20 5 FFBDRO CC[NH+](CC)CCSCC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000535308681 518174290 /nfs/dbraw/zinc/17/42/90/518174290.db2.gz OSKBFDIJNUAZIM-UHFFFAOYSA-N 1 0 351.472 2.555 20 5 FFBDRO CCc1ccc([C@@H]2C[NH2+]CCN2C(=O)c2cccc(OC)c2[N+](=O)[O-])cc1 ZINC000575797030 518285802 /nfs/dbraw/zinc/28/58/02/518285802.db2.gz WUIPYNWBCXQPRH-KRWDZBQOSA-N 1 0 369.421 2.953 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2noc(CN3CCCC[C@H]3[C@H]3CCC[NH2+]3)n2)c1 ZINC000578610941 518291394 /nfs/dbraw/zinc/29/13/94/518291394.db2.gz DKRAYVULZMYYCO-CVEARBPZSA-N 1 0 357.414 2.751 20 5 FFBDRO C[C@H]1CCCC[N@@H+]1CCNC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000564068062 518292649 /nfs/dbraw/zinc/29/26/49/518292649.db2.gz UEHOMKOGRGYVQJ-AWEZNQCLSA-N 1 0 373.457 2.792 20 5 FFBDRO COc1ccc(OCC[N@@H+]2CCC[C@@H]2[C@H]2CCCOC2)c([N+](=O)[O-])c1 ZINC000584409116 518327088 /nfs/dbraw/zinc/32/70/88/518327088.db2.gz LYJSKNOPMKYMCL-GOEBONIOSA-N 1 0 350.415 2.873 20 5 FFBDRO CN1CCC([NH+]2CCC(Nc3nc4c(cc3[N+](=O)[O-])CCCC4)CC2)CC1 ZINC000564206435 518350549 /nfs/dbraw/zinc/35/05/49/518350549.db2.gz WUHAPVGHLGFXHK-UHFFFAOYSA-N 1 0 373.501 2.839 20 5 FFBDRO CC[N@H+]1C[C@@H](C)N(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000567142060 518372975 /nfs/dbraw/zinc/37/29/75/518372975.db2.gz CPOXZWZYNLAHPE-PHIMTYICSA-N 1 0 357.357 2.751 20 5 FFBDRO Cc1cccc(OC[C@@H](C)[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000584524914 518383805 /nfs/dbraw/zinc/38/38/05/518383805.db2.gz NCDORYRLFLDHHC-CVEARBPZSA-N 1 0 360.410 2.700 20 5 FFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1cc(=O)n2ccccc2n1 ZINC000578875310 518416133 /nfs/dbraw/zinc/41/61/33/518416133.db2.gz OJXHBECUTCKCDO-CQSZACIVSA-N 1 0 352.394 2.714 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CCc1ccccc1Cl ZINC000564444466 518455307 /nfs/dbraw/zinc/45/53/07/518455307.db2.gz ODNZKOGDKFAGHG-CQSZACIVSA-N 1 0 350.802 2.820 20 5 FFBDRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000564462622 518462392 /nfs/dbraw/zinc/46/23/92/518462392.db2.gz MMPILNNOUHTOMF-FVQHAEBGSA-N 1 0 355.419 2.694 20 5 FFBDRO C[C@H](CCc1ccc(O)cc1)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000584775887 518472266 /nfs/dbraw/zinc/47/22/66/518472266.db2.gz VZQCEQMPLUCONS-PBHICJAKSA-N 1 0 360.410 2.651 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CCc2c[nH]c3ccc(F)cc23)c1 ZINC000578997585 518473549 /nfs/dbraw/zinc/47/35/49/518473549.db2.gz IHBQMULLCOMIOK-MRXNPFEDSA-N 1 0 373.384 2.787 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000573083444 518499231 /nfs/dbraw/zinc/49/92/31/518499231.db2.gz OIRJFOSBYHAHCQ-SJKOYZFVSA-N 1 0 367.833 2.618 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000564607401 518523133 /nfs/dbraw/zinc/52/31/33/518523133.db2.gz LLXDGBDWBDVREU-DOTOQJQBSA-N 1 0 360.385 2.963 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000564607402 518523353 /nfs/dbraw/zinc/52/33/53/518523353.db2.gz LLXDGBDWBDVREU-NVXWUHKLSA-N 1 0 360.385 2.963 20 5 FFBDRO Cc1cc(C)c(S(=O)(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000570266663 518523505 /nfs/dbraw/zinc/52/35/05/518523505.db2.gz CERZYBRXPFUNEA-CABCVRRESA-N 1 0 367.471 2.507 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2CCO[C@@H](c3ccccc3)C2)c1 ZINC000579345501 518637299 /nfs/dbraw/zinc/63/72/99/518637299.db2.gz GEYADGCCWZUYHB-YVWKXTFCSA-N 1 0 372.421 2.844 20 5 FFBDRO CCO[C@H]1C[C@@H]([NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C12CCCC2 ZINC000582234056 518652632 /nfs/dbraw/zinc/65/26/32/518652632.db2.gz QIGJZMHGAXUEBJ-SJORKVTESA-N 1 0 361.442 2.885 20 5 FFBDRO Cn1cc(CN2CC[C@]3(C2)CCC[NH2+]C3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000570719118 518746610 /nfs/dbraw/zinc/74/66/10/518746610.db2.gz KQWJLVNWJZAHBM-LJQANCHMSA-N 1 0 355.442 2.571 20 5 FFBDRO [NH3+][C@H](CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccccc1 ZINC000567882083 518765147 /nfs/dbraw/zinc/76/51/47/518765147.db2.gz CWXFPXUOOWRHRB-QGZVFWFLSA-N 1 0 368.437 2.627 20 5 FFBDRO C[C@@H]1C[NH+](C[C@H]2CCCN2c2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H](C)O1 ZINC000579674134 518793364 /nfs/dbraw/zinc/79/33/64/518793364.db2.gz JALAYFIFTSGFIH-UMVBOHGHSA-N 1 0 359.430 2.549 20 5 FFBDRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)s1 ZINC000582610871 518838588 /nfs/dbraw/zinc/83/85/88/518838588.db2.gz CRWISVFFFMYGGI-CYBMUJFWSA-N 1 0 362.455 2.887 20 5 FFBDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3c(Cl)cccc3[N+](=O)[O-])[C@@H]2C1 ZINC000588979410 518887898 /nfs/dbraw/zinc/88/78/98/518887898.db2.gz RSNAEOZNOMPZQB-BJJXKVORSA-N 1 0 351.834 2.985 20 5 FFBDRO CC(C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)CC1 ZINC000589114954 518920214 /nfs/dbraw/zinc/92/02/14/518920214.db2.gz YOBMLKMWOZXDRF-UHFFFAOYSA-N 1 0 366.437 2.537 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000579975411 518946295 /nfs/dbraw/zinc/94/62/95/518946295.db2.gz RONFDQIRDXXHJK-HNNXBMFYSA-N 1 0 362.430 2.622 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)n1 ZINC000582853305 518954734 /nfs/dbraw/zinc/95/47/34/518954734.db2.gz XPYWFNXZHXMRGP-JHJVBQTASA-N 1 0 350.419 2.555 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCc3ccc(O)cc3CC2)c1 ZINC000589497546 519018576 /nfs/dbraw/zinc/01/85/76/519018576.db2.gz JYZCJQQIHTUQMY-UHFFFAOYSA-N 1 0 356.378 2.688 20 5 FFBDRO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1nc2ccccc2[nH]1 ZINC000574193082 519033281 /nfs/dbraw/zinc/03/32/81/519033281.db2.gz PNLVQJYHZZCPGO-QWHCGFSZSA-N 1 0 356.382 2.562 20 5 FFBDRO Cc1ccc(CC[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000571397031 519076240 /nfs/dbraw/zinc/07/62/40/519076240.db2.gz UKSGOFUVJRJQIW-UHFFFAOYSA-N 1 0 362.451 2.818 20 5 FFBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+][C@H]1CCN(c3ccccc3F)C1)OCCO2 ZINC000589938036 519107463 /nfs/dbraw/zinc/10/74/63/519107463.db2.gz PUEUYNIKIYSJKU-AWEZNQCLSA-N 1 0 373.384 2.874 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCOC[C@H](C2CCC2)C1 ZINC000590022597 519131413 /nfs/dbraw/zinc/13/14/13/519131413.db2.gz JQGAVMNDUCXALR-MRXNPFEDSA-N 1 0 361.442 2.980 20 5 FFBDRO CC[NH+]1CCN(CC(C)(C)Nc2ccc([N+](=O)[O-])c(OC(C)C)n2)CC1 ZINC000583214476 519133059 /nfs/dbraw/zinc/13/30/59/519133059.db2.gz PYBAIWDQYAZAEF-UHFFFAOYSA-N 1 0 365.478 2.605 20 5 FFBDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000580388024 519146569 /nfs/dbraw/zinc/14/65/69/519146569.db2.gz HPYMLLLTTYMQHG-YJBOKZPZSA-N 1 0 363.458 2.658 20 5 FFBDRO CC[NH+]1C[C@@H](C)N(C(=O)c2ccc(Br)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000568796165 519217688 /nfs/dbraw/zinc/21/76/88/519217688.db2.gz OSIJGCOYXDIOQQ-GHMZBOCLSA-N 1 0 370.247 2.912 20 5 FFBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000590404138 519218540 /nfs/dbraw/zinc/21/85/40/519218540.db2.gz UTVVJKSDZXOHBI-INMHGKMJSA-N 1 0 374.485 2.996 20 5 FFBDRO COc1cncc(/C=C/CC[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000571758728 519261594 /nfs/dbraw/zinc/26/15/94/519261594.db2.gz UJHZLZVTXFAKMK-WPTTZPOMSA-N 1 0 369.425 2.983 20 5 FFBDRO CSCc1cccc(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000568873916 519261774 /nfs/dbraw/zinc/26/17/74/519261774.db2.gz PCJHKCMDGHNPBL-KRWDZBQOSA-N 1 0 362.451 2.987 20 5 FFBDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000568879863 519265041 /nfs/dbraw/zinc/26/50/41/519265041.db2.gz SFLDXRODHOIKQY-BTDLBPIBSA-N 1 0 371.387 2.687 20 5 FFBDRO COC(=O)c1c(Cl)c(N2CC[C@@H]3CC[N@H+](C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000590582898 519273539 /nfs/dbraw/zinc/27/35/39/519273539.db2.gz WDWXPXBNLYVCQQ-GXFFZTMASA-N 1 0 353.806 2.565 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC(F)(F)[C@H](C)C1 ZINC000568935199 519290849 /nfs/dbraw/zinc/29/08/49/519290849.db2.gz LSKXWICERRDFHY-LLVKDONJSA-N 1 0 357.357 2.909 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]Cc2ccc(F)c(Cl)c2)c1 ZINC000583559944 519311365 /nfs/dbraw/zinc/31/13/65/519311365.db2.gz PICXENWFPUWTIF-CYBMUJFWSA-N 1 0 354.765 2.917 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H]2C[C@H]2C2CCCCC2)cc1 ZINC000566118338 519313866 /nfs/dbraw/zinc/31/38/66/519313866.db2.gz UPTFSVNORADEMM-IRXDYDNUSA-N 1 0 352.456 2.927 20 5 FFBDRO [NH3+][C@@H]1CCc2ncc(NC(=O)CSc3ccc([N+](=O)[O-])cc3)cc2C1 ZINC000568989844 519319020 /nfs/dbraw/zinc/31/90/20/519319020.db2.gz PHTWABIEFUQNCD-GFCCVEGCSA-N 1 0 358.423 2.537 20 5 FFBDRO COC1CCC(CC[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000566130663 519320531 /nfs/dbraw/zinc/32/05/31/519320531.db2.gz OIPXHOPFAOWSOP-HWOWSKLDSA-N 1 0 352.431 2.519 20 5 FFBDRO CC[NH+]1CCN([C@@H](C)CN[C@@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)CC1 ZINC000574815848 519346068 /nfs/dbraw/zinc/34/60/68/519346068.db2.gz JCSXSFSDMNGZAV-BBRMVZONSA-N 1 0 374.407 2.814 20 5 FFBDRO CCN1CC[NH+](C[C@@H](C)CNc2nc3c(cc2[N+](=O)[O-])CCCC3)CC1 ZINC000580771127 519350892 /nfs/dbraw/zinc/35/08/92/519350892.db2.gz XDQOTUGJFYPYIL-HNNXBMFYSA-N 1 0 361.490 2.554 20 5 FFBDRO Cc1ccc(C[C@@H](CO)[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)cc1C ZINC000590781502 519366308 /nfs/dbraw/zinc/36/63/08/519366308.db2.gz DGVIWWDDPDMAIB-KRWDZBQOSA-N 1 0 372.421 2.676 20 5 FFBDRO [NH3+]CCC1CCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000578022188 519376090 /nfs/dbraw/zinc/37/60/90/519376090.db2.gz AAYURJKVCJLFGR-UHFFFAOYSA-N 1 0 360.439 2.919 20 5 FFBDRO COc1cc(CN(C)[C@H]2CC[NH2+]C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000566226386 519380832 /nfs/dbraw/zinc/38/08/32/519380832.db2.gz RKIBTINWCSOPQG-KRWDZBQOSA-N 1 0 371.437 2.976 20 5 FFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]Cc1cnc(N2CCOCC2)c(F)c1 ZINC000569118348 519388927 /nfs/dbraw/zinc/38/89/27/519388927.db2.gz PRHJLCFNLWVYIO-QGZVFWFLSA-N 1 0 372.400 2.743 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CC[C@@H]2CCc3ccccc3N2)c1 ZINC000569214047 519437604 /nfs/dbraw/zinc/43/76/04/519437604.db2.gz LQBHCWABANCJJR-WMZOPIPTSA-N 1 0 371.437 2.741 20 5 FFBDRO C[C@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])C(=O)NCCc1ccccc1 ZINC000569239609 519449998 /nfs/dbraw/zinc/44/99/98/519449998.db2.gz WKRLLDHMNZJUCC-KSSFIOAISA-N 1 0 353.422 2.919 20 5 FFBDRO O=C(NCCc1ccccc1[N+](=O)[O-])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000583943462 519510150 /nfs/dbraw/zinc/51/01/50/519510150.db2.gz KUSCCUBATFVPDL-SFHVURJKSA-N 1 0 353.422 2.776 20 5 FFBDRO COc1cc[nH+]c(N2CCN(c3ccc([N+](=O)[O-])c(OC(C)C)n3)CC2)c1 ZINC000575137903 519521072 /nfs/dbraw/zinc/52/10/72/519521072.db2.gz IKUQZHWVMCJHMX-UHFFFAOYSA-N 1 0 373.413 2.507 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000581126255 519535656 /nfs/dbraw/zinc/53/56/56/519535656.db2.gz ZPGOHASKTGQYLN-DGCLKSJQSA-N 1 0 355.822 2.745 20 5 FFBDRO COc1ccccc1[C@]1(C)C[C@H]1[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000581126782 519536320 /nfs/dbraw/zinc/53/63/20/519536320.db2.gz DDIVRBWQBCIOTB-YSGRDPCXSA-N 1 0 372.421 2.663 20 5 FFBDRO O=C(CC[NH2+][C@H]1CCO[C@@]2(CCSC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000575248891 519571755 /nfs/dbraw/zinc/57/17/55/519571755.db2.gz XJXJMSDHRCCDRL-GUYCJALGSA-N 1 0 365.455 2.568 20 5 FFBDRO COc1cc(CN[C@H](C)C[C@@H](C)[NH3+])c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000566620093 519581999 /nfs/dbraw/zinc/58/19/99/519581999.db2.gz MCQSNKSMSPQZFR-NXEZZACHSA-N 1 0 365.352 2.760 20 5 FFBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)c1nc([C@H]([NH3+])CC(C)C)no1 ZINC000584112913 519597401 /nfs/dbraw/zinc/59/74/01/519597401.db2.gz QKORWJAQZNKOPU-MNOVXSKESA-N 1 0 351.411 2.629 20 5 FFBDRO Cc1c(CNC(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000591357057 519607685 /nfs/dbraw/zinc/60/76/85/519607685.db2.gz OZAFBQYCRGMTQJ-DLBZAZTESA-N 1 0 360.458 2.824 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H](c2cccnc2)C1 ZINC000602856888 519929383 /nfs/dbraw/zinc/92/93/83/519929383.db2.gz STXWIYJJNHQBLB-IAGOWNOFSA-N 1 0 357.410 2.609 20 5 FFBDRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000594417292 519951908 /nfs/dbraw/zinc/95/19/08/519951908.db2.gz BKYCBSTXESAQEC-IAGOWNOFSA-N 1 0 370.409 2.595 20 5 FFBDRO O=[N+]([O-])c1cccc2ncnc(NC3CC[NH+]([C@H]4CCCC[C@@H]4O)CC3)c21 ZINC000612449768 519966613 /nfs/dbraw/zinc/96/66/13/519966613.db2.gz SNNNMKRMQLMYRO-RDJZCZTQSA-N 1 0 371.441 2.718 20 5 FFBDRO CCCC[N@H+](C)CC1CCN(C(=O)Nc2c(C)cncc2[N+](=O)[O-])CC1 ZINC000602953743 519990992 /nfs/dbraw/zinc/99/09/92/519990992.db2.gz CZAOTKHOSBZWQX-UHFFFAOYSA-N 1 0 363.462 2.696 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c(Cl)c1 ZINC000594483199 519991883 /nfs/dbraw/zinc/99/18/83/519991883.db2.gz CVLWAUGWVTYTPD-KGLIPLIRSA-N 1 0 373.862 2.543 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c1C ZINC000594484041 519993277 /nfs/dbraw/zinc/99/32/77/519993277.db2.gz QERPHDQMDQERJK-GJZGRUSLSA-N 1 0 367.471 2.507 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594484874 519994084 /nfs/dbraw/zinc/99/40/84/519994084.db2.gz WLDZUALZSZYCNI-QWHCGFSZSA-N 1 0 373.862 2.543 20 5 FFBDRO CC(C)[C@](C)(C[NH3+])NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000591676427 519994380 /nfs/dbraw/zinc/99/43/80/519994380.db2.gz RXOOZESAGFIMFJ-AWEZNQCLSA-N 1 0 363.336 2.639 20 5 FFBDRO NC(=O)c1ccccc1N1CC[C@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000594494949 520001554 /nfs/dbraw/zinc/00/15/54/520001554.db2.gz INVIWTITIQWELS-SUMWQHHRSA-N 1 0 366.421 2.550 20 5 FFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCCN2CCCC[C@H]12 ZINC000594519482 520012253 /nfs/dbraw/zinc/01/22/53/520012253.db2.gz LCTQOTRKDXYKMO-ZTFGCOKTSA-N 1 0 360.458 2.918 20 5 FFBDRO CC(C)(C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000591753796 520022832 /nfs/dbraw/zinc/02/28/32/520022832.db2.gz KSQLFDMKHVULCQ-RHSMWYFYSA-N 1 0 352.431 2.519 20 5 FFBDRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000597531289 520086891 /nfs/dbraw/zinc/08/68/91/520086891.db2.gz CDSHQPVFSGRRQT-HZPDHXFCSA-N 1 0 354.410 2.869 20 5 FFBDRO Cc1ccc(CC2C[NH+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])C2)cc1 ZINC000594733621 520121250 /nfs/dbraw/zinc/12/12/50/520121250.db2.gz ZYDPQJGPLUBJGF-GOSISDBHSA-N 1 0 356.422 2.817 20 5 FFBDRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NCc2cccc([N+](=O)[O-])c2)cc1F ZINC000594738811 520124952 /nfs/dbraw/zinc/12/49/52/520124952.db2.gz ODZWFUPLRKLWAF-WMZOPIPTSA-N 1 0 359.401 2.978 20 5 FFBDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000608854649 520144985 /nfs/dbraw/zinc/14/49/85/520144985.db2.gz WDENLVFYQLHPSD-GFCCVEGCSA-N 1 0 363.414 2.564 20 5 FFBDRO Cc1c(Cn2cc(C[C@@H]([NH3+])Cc3ccccc3)nn2)cccc1[N+](=O)[O-] ZINC000603195655 520150205 /nfs/dbraw/zinc/15/02/05/520150205.db2.gz AFUYTVNRSNHJMA-KRWDZBQOSA-N 1 0 351.410 2.656 20 5 FFBDRO O=C(CCOc1ccccc1[N+](=O)[O-])Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000608900502 520157217 /nfs/dbraw/zinc/15/72/17/520157217.db2.gz NJHILOCJTDENBA-UHFFFAOYSA-N 1 0 353.338 2.583 20 5 FFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])n1cc(C[C@@H]([NH3+])Cc2ccccc2)nn1 ZINC000603214336 520162580 /nfs/dbraw/zinc/16/25/80/520162580.db2.gz HXSPOTMRMSLPAR-HOCLYGCPSA-N 1 0 351.410 2.908 20 5 FFBDRO C[N@@H+]1CCCC[C@@H](CNC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000600311846 520198433 /nfs/dbraw/zinc/19/84/33/520198433.db2.gz CLNSSABWPGQLCR-NSHDSACASA-N 1 0 357.357 2.658 20 5 FFBDRO O=[N+]([O-])c1cc(C[N@H+]2CCc3ccc(O)cc3CC2)c2c(c1)COCO2 ZINC000609133372 520200821 /nfs/dbraw/zinc/20/08/21/520200821.db2.gz SNUULQIIENOVHD-UHFFFAOYSA-N 1 0 356.378 2.768 20 5 FFBDRO Cn1cc(C[NH2+]C[C@@H]2CCN2C(C)(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000594962846 520230385 /nfs/dbraw/zinc/23/03/85/520230385.db2.gz LUCQKGPQIIIBCZ-KRWDZBQOSA-N 1 0 357.458 2.958 20 5 FFBDRO COc1cc(C[N@@H+]2CC[C@H](C(=O)NCc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000592155555 520232504 /nfs/dbraw/zinc/23/25/04/520232504.db2.gz OXJHBPKCCBQKQX-KRWDZBQOSA-N 1 0 369.421 2.742 20 5 FFBDRO COc1cc(C[NH2+]CC2(O)CCC(F)(F)CC2)c([N+](=O)[O-])cc1OC ZINC000595001605 520250765 /nfs/dbraw/zinc/25/07/65/520250765.db2.gz XQYIFGCPLIUSDV-UHFFFAOYSA-N 1 0 360.357 2.642 20 5 FFBDRO CNC(=O)COc1cccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)c1 ZINC000595010270 520255589 /nfs/dbraw/zinc/25/55/89/520255589.db2.gz ASKOOFQBFSTNTQ-CYBMUJFWSA-N 1 0 373.409 2.579 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCNC(=O)c1cccc(C)c1 ZINC000595016204 520256225 /nfs/dbraw/zinc/25/62/25/520256225.db2.gz IIIFSDAIUWYTDS-CQSZACIVSA-N 1 0 357.410 2.992 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC000595022703 520260407 /nfs/dbraw/zinc/26/04/07/520260407.db2.gz VBBOCMZCAMFIKB-QGTPRVQTSA-N 1 0 363.458 2.897 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000595036988 520265396 /nfs/dbraw/zinc/26/53/96/520265396.db2.gz ZACGCCMPWVGAQR-CQSZACIVSA-N 1 0 374.441 2.790 20 5 FFBDRO C[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000595058826 520274586 /nfs/dbraw/zinc/27/45/86/520274586.db2.gz GOEXOSMGEFVTAR-MWTHLPDKSA-N 1 0 354.476 2.554 20 5 FFBDRO O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000600472238 520278570 /nfs/dbraw/zinc/27/85/70/520278570.db2.gz NJTCQVRCHYNDJU-SFHVURJKSA-N 1 0 369.425 2.527 20 5 FFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1c(C2CC2)cnn1C ZINC000595076118 520282963 /nfs/dbraw/zinc/28/29/63/520282963.db2.gz FERXQHQRDWHFRY-LBPRGKRZSA-N 1 0 357.414 2.713 20 5 FFBDRO CC(C)[C@H]1CN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC[NH2+]1 ZINC000592241447 520283769 /nfs/dbraw/zinc/28/37/69/520283769.db2.gz BXVNMIDDLOKLFY-CQSZACIVSA-N 1 0 360.439 2.788 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000597856802 520284222 /nfs/dbraw/zinc/28/42/22/520284222.db2.gz AJQKETSZHIJBRW-CYBMUJFWSA-N 1 0 372.425 2.511 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592254568 520293128 /nfs/dbraw/zinc/29/31/28/520293128.db2.gz HDTXCJCBQZSRLU-GJZGRUSLSA-N 1 0 368.437 2.995 20 5 FFBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592256285 520294445 /nfs/dbraw/zinc/29/44/45/520294445.db2.gz XADPZTVNIPNRBJ-HOTGVXAUSA-N 1 0 360.458 2.635 20 5 FFBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C1CCN([C@H]2CCOC2)CC1)C1CC1 ZINC000595102182 520294768 /nfs/dbraw/zinc/29/47/68/520294768.db2.gz LANXIYSWSPOQIF-RBUKOAKNSA-N 1 0 359.470 2.759 20 5 FFBDRO C[NH+](C)[C@@H](CNC(=O)CCNc1ccccc1[N+](=O)[O-])c1ccsc1 ZINC000603522789 520295505 /nfs/dbraw/zinc/29/55/05/520295505.db2.gz AFDXUJAQRHZYPF-INIZCTEOSA-N 1 0 362.455 2.877 20 5 FFBDRO COc1ccc(CC(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000609506092 520336541 /nfs/dbraw/zinc/33/65/41/520336541.db2.gz CHDQDYDJJSWXSD-HNNXBMFYSA-N 1 0 371.437 2.783 20 5 FFBDRO CC[C@@H]1CN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[C@H]1[NH3+] ZINC000592332607 520339559 /nfs/dbraw/zinc/33/95/59/520339559.db2.gz NYMRGPDAOCYSMY-BXUZGUMPSA-N 1 0 360.439 2.918 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000595225772 520360695 /nfs/dbraw/zinc/36/06/95/520360695.db2.gz OBEIOHKPJKGNKQ-NVXWUHKLSA-N 1 0 373.384 2.700 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595233835 520364667 /nfs/dbraw/zinc/36/46/67/520364667.db2.gz VNZHPYJGRYBQBC-CQSZACIVSA-N 1 0 362.430 2.847 20 5 FFBDRO CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)[C@@H]1SC ZINC000592393492 520365357 /nfs/dbraw/zinc/36/53/57/520365357.db2.gz BPWNLRLTPFTVJM-PAURTPPISA-N 1 0 354.476 2.774 20 5 FFBDRO [NH3+]C1(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CC2(CCC2)C1 ZINC000595249997 520370613 /nfs/dbraw/zinc/37/06/13/520370613.db2.gz OQXSHINMALDJNT-UHFFFAOYSA-N 1 0 359.426 2.626 20 5 FFBDRO COc1cc(CN2CC[NH+](C3CCC3)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000609600340 520373349 /nfs/dbraw/zinc/37/33/49/520373349.db2.gz FWZILYWPJGQMQC-UHFFFAOYSA-N 1 0 371.384 2.875 20 5 FFBDRO COc1cc(C(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)cc([N+](=O)[O-])c1C ZINC000595258678 520376977 /nfs/dbraw/zinc/37/69/77/520376977.db2.gz VZKQFONWIFLODY-GOSISDBHSA-N 1 0 371.393 2.825 20 5 FFBDRO Cc1ccc2nc(CNS(=O)(=O)c3cc([N+](=O)[O-])c(C)cc3C)cn2c1 ZINC000617227660 520386580 /nfs/dbraw/zinc/38/65/80/520386580.db2.gz YBZCVEKACRHKQZ-UHFFFAOYSA-N 1 0 374.422 2.646 20 5 FFBDRO CC1CCC([NH+]2CCN(C(=O)COc3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000609653108 520396334 /nfs/dbraw/zinc/39/63/34/520396334.db2.gz YWBUQTFNHPLMBL-UHFFFAOYSA-N 1 0 361.442 2.697 20 5 FFBDRO O=C(NCC1CC[NH+](Cc2ccncc2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000598061424 520404423 /nfs/dbraw/zinc/40/44/23/520404423.db2.gz DVKOQYGSJKVTIH-UHFFFAOYSA-N 1 0 372.400 2.771 20 5 FFBDRO [NH3+][C@@H](C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)c1cccc(Cl)c1 ZINC000592478501 520407689 /nfs/dbraw/zinc/40/76/89/520407689.db2.gz FNJWLAGBGHHFBF-QGZVFWFLSA-N 1 0 374.828 2.597 20 5 FFBDRO CC[NH+](CC)C[C@@H](C)NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000609731543 520416126 /nfs/dbraw/zinc/41/61/26/520416126.db2.gz BELVPBBGHMZLDN-GFCCVEGCSA-N 1 0 357.838 2.864 20 5 FFBDRO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000609758134 520423120 /nfs/dbraw/zinc/42/31/20/520423120.db2.gz LBPIPTADTRSQFF-XJKSGUPXSA-N 1 0 358.442 2.868 20 5 FFBDRO COc1ccc(CNC(=O)C2(c3ccccc3)CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000592505066 520424978 /nfs/dbraw/zinc/42/49/78/520424978.db2.gz RDMJFCQKBSABHI-UHFFFAOYSA-N 1 0 369.421 2.541 20 5 FFBDRO CC(C)[NH+]1CCC(N2CCN(Cc3ccc(F)cc3[N+](=O)[O-])CC2)CC1 ZINC000595382147 520440421 /nfs/dbraw/zinc/44/04/21/520440421.db2.gz RBPSPPZCUKWDRG-UHFFFAOYSA-N 1 0 364.465 2.724 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2[C@H]3Cc4cc(Cl)ccc4[C@@H]23)c1 ZINC000600748044 520444694 /nfs/dbraw/zinc/44/46/94/520444694.db2.gz RZHXGBVYZYRVBE-ZWQIFLOQSA-N 1 0 374.824 2.916 20 5 FFBDRO COc1ccc(CNC(=O)NCC(C)(C)[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000604081794 520445386 /nfs/dbraw/zinc/44/53/86/520445386.db2.gz OQOAQBYSWWOTIJ-UHFFFAOYSA-N 1 0 364.446 2.667 20 5 FFBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCC2(CC[NH2+]C2)CC1 ZINC000592554618 520454185 /nfs/dbraw/zinc/45/41/85/520454185.db2.gz JQPKFJRONCLCDP-UHFFFAOYSA-N 1 0 369.874 2.942 20 5 FFBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592554624 520454548 /nfs/dbraw/zinc/45/45/48/520454548.db2.gz LIZJKCGNFKCALO-CABCVRRESA-N 1 0 363.483 2.925 20 5 FFBDRO CCN(CC[NH3+])Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000600774614 520461132 /nfs/dbraw/zinc/46/11/32/520461132.db2.gz LFTAUQQDJXOHME-UHFFFAOYSA-N 1 0 359.426 2.963 20 5 FFBDRO O=[N+]([O-])c1ccc(CCO)c(-c2ccc([C@H]3[NH2+]CCc4nc[nH]c43)cc2)c1 ZINC000600790581 520471525 /nfs/dbraw/zinc/47/15/25/520471525.db2.gz BFYZFBZHFHUYTF-LJQANCHMSA-N 1 0 364.405 2.755 20 5 FFBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H](CO)[C@@H](C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000613389180 520479329 /nfs/dbraw/zinc/47/93/29/520479329.db2.gz KHAFNDDJALRQHU-YEWWUXTCSA-N 1 0 371.437 2.984 20 5 FFBDRO C[C@@H](c1ccccc1)[C@@H](CO)[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000613390168 520481655 /nfs/dbraw/zinc/48/16/55/520481655.db2.gz ZMCICEADUJPEBX-SUMWQHHRSA-N 1 0 368.393 2.899 20 5 FFBDRO C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000598195956 520486174 /nfs/dbraw/zinc/48/61/74/520486174.db2.gz XSIRHTZOMYREQK-INIZCTEOSA-N 1 0 368.437 2.566 20 5 FFBDRO C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000598195840 520486750 /nfs/dbraw/zinc/48/67/50/520486750.db2.gz UJQLNCTVXARQPG-IBGZPJMESA-N 1 0 353.422 2.984 20 5 FFBDRO CCOC(=O)c1ccnc(NCC[N@H+]2[C@H](C)CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000609963822 520492385 /nfs/dbraw/zinc/49/23/85/520492385.db2.gz PXQXXWYVIQECFR-BETUJISGSA-N 1 0 350.419 2.841 20 5 FFBDRO Cc1noc(CN2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1[N+](=O)[O-] ZINC000595480865 520499145 /nfs/dbraw/zinc/49/91/45/520499145.db2.gz AFEACQHCJLAICO-IBGZPJMESA-N 1 0 356.426 2.989 20 5 FFBDRO Cn1cc([C@@H]([NH2+]CCCOc2ccc([N+](=O)[O-])cc2)C2(CO)CCC2)cn1 ZINC000595498883 520509712 /nfs/dbraw/zinc/50/97/12/520509712.db2.gz KFJSEVVIJGIEHW-GOSISDBHSA-N 1 0 374.441 2.591 20 5 FFBDRO COc1cc(C[NH2+]C2(CCO)CCCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000595509899 520518625 /nfs/dbraw/zinc/51/86/25/520518625.db2.gz YHGKLMKHCVEQMV-UHFFFAOYSA-N 1 0 360.357 2.990 20 5 FFBDRO O=C(NCCc1ccccc1[N+](=O)[O-])NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000595522865 520527757 /nfs/dbraw/zinc/52/77/57/520527757.db2.gz PARLTDQONGQDIG-INIZCTEOSA-N 1 0 360.458 2.559 20 5 FFBDRO CC[N@@H+]1CCCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@H](C)C1 ZINC000595536195 520534566 /nfs/dbraw/zinc/53/45/66/520534566.db2.gz OPILITPXVQUEKE-GFCCVEGCSA-N 1 0 354.838 2.603 20 5 FFBDRO O=C(NCc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595557148 520551325 /nfs/dbraw/zinc/55/13/25/520551325.db2.gz HOHWIFXVFLALPG-MRXNPFEDSA-N 1 0 357.385 2.872 20 5 FFBDRO COc1cccc(CCC[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1 ZINC000610212771 520581690 /nfs/dbraw/zinc/58/16/90/520581690.db2.gz ZQOVTSSVLONCNL-UHFFFAOYSA-N 1 0 356.426 2.753 20 5 FFBDRO O=C(NCc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000604535025 520592569 /nfs/dbraw/zinc/59/25/69/520592569.db2.gz PBQLIZKSJCUWGX-QGZVFWFLSA-N 1 0 354.410 2.518 20 5 FFBDRO C[C@@H]1C[C@@H]1N1C[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1=O ZINC000610272722 520616427 /nfs/dbraw/zinc/61/64/27/520616427.db2.gz GZAGEXXRGQWEMB-IFIJOSMWSA-N 1 0 355.394 2.954 20 5 FFBDRO C[C@@H]1C[C@@H]1N1C[C@@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1=O ZINC000610272793 520616699 /nfs/dbraw/zinc/61/66/99/520616699.db2.gz OJDHQHBTELIVAW-IGCXYCKISA-N 1 0 355.394 2.954 20 5 FFBDRO COc1cc(C(=O)NC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000592883334 520632888 /nfs/dbraw/zinc/63/28/88/520632888.db2.gz ZFBWEGIEWZBCKM-SJORKVTESA-N 1 0 369.421 2.679 20 5 FFBDRO O=[N+]([O-])c1ccc2nccc(N3CC[NH+](CC4CCOCC4)CC3)c2c1 ZINC000601118145 520645676 /nfs/dbraw/zinc/64/56/76/520645676.db2.gz IEGNFDOFAAOUNV-UHFFFAOYSA-N 1 0 356.426 2.692 20 5 FFBDRO COC[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1cccc(OC)c1 ZINC000595683321 520646343 /nfs/dbraw/zinc/64/63/43/520646343.db2.gz GOLPVSRPAWFPQM-QGZVFWFLSA-N 1 0 373.409 2.909 20 5 FFBDRO CCOc1cc(C[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)ccc1OC ZINC000601148639 520660339 /nfs/dbraw/zinc/66/03/39/520660339.db2.gz GBENJDMEYANQJJ-LJQANCHMSA-N 1 0 360.410 2.999 20 5 FFBDRO Cc1c(CC(=O)NC[C@@H]2CC[N@@H+]2Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000598511934 520672121 /nfs/dbraw/zinc/67/21/21/520672121.db2.gz UZDYOAMJWDJUCQ-SFHVURJKSA-N 1 0 353.422 2.836 20 5 FFBDRO O=C(CCNc1ccccc1[N+](=O)[O-])NCC1CC[NH+](CC2CC2)CC1 ZINC000598537209 520689646 /nfs/dbraw/zinc/68/96/46/520689646.db2.gz BVZHXKBXIUDNTL-UHFFFAOYSA-N 1 0 360.458 2.635 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[N@@H+](C3CCC3)C[C@H](C)C2)c1 ZINC000593029623 520693752 /nfs/dbraw/zinc/69/37/52/520693752.db2.gz JCWWMDIQQXQSMZ-CQSZACIVSA-N 1 0 361.442 2.688 20 5 FFBDRO COc1cc(C[N@@H+]2C[C@@H]3COC[C@@]3(C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000595761035 520706258 /nfs/dbraw/zinc/70/62/58/520706258.db2.gz WDTMZBLQVKFLSJ-BDJLRTHQSA-N 1 0 358.341 2.673 20 5 FFBDRO COc1cc(C[NH2+][C@@H]2CCC[C@H]2Cc2cnn(C)c2)c([N+](=O)[O-])cc1F ZINC000595774019 520715196 /nfs/dbraw/zinc/71/51/96/520715196.db2.gz ZDLLPEUQIHXBON-XJKSGUPXSA-N 1 0 362.405 2.977 20 5 FFBDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000595785921 520723374 /nfs/dbraw/zinc/72/33/74/520723374.db2.gz JZWPDJNLPNEJCU-MRXNPFEDSA-N 1 0 362.474 2.899 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H](C)OCC12CCC2 ZINC000593091107 520739210 /nfs/dbraw/zinc/73/92/10/520739210.db2.gz FMULLHOPJWJQKD-CYBMUJFWSA-N 1 0 363.414 2.575 20 5 FFBDRO COC(=O)c1ccnc(N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000598613954 520744654 /nfs/dbraw/zinc/74/46/54/520744654.db2.gz ZYUOWPVQFKBJDM-HIFRSBDPSA-N 1 0 370.409 2.851 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)C[C@H]1C ZINC000601355133 520752107 /nfs/dbraw/zinc/75/21/07/520752107.db2.gz KNLQFJJKOPTKFR-CHWSQXEVSA-N 1 0 373.450 2.536 20 5 FFBDRO Cc1cc(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c([N+](=O)[O-])s1 ZINC000601361021 520755202 /nfs/dbraw/zinc/75/52/02/520755202.db2.gz AZHNZUSEHUZFHP-OLZOCXBDSA-N 1 0 373.500 2.601 20 5 FFBDRO COc1cc(C[N@@H+]2CC[C@H]3COC[C@H]3C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000595836687 520758387 /nfs/dbraw/zinc/75/83/87/520758387.db2.gz YEEMWFUUHDQLHZ-WCQYABFASA-N 1 0 372.368 2.716 20 5 FFBDRO COc1cccc(C2([NH2+]Cc3ccc(C(N)=O)cc3[N+](=O)[O-])CCC2)c1 ZINC000595858378 520772292 /nfs/dbraw/zinc/77/22/92/520772292.db2.gz JPFGUGJWMYIKAY-UHFFFAOYSA-N 1 0 355.394 2.871 20 5 FFBDRO O=C(N1CC[C@@H](N2CCC2)[C@H](F)C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601537540 520831341 /nfs/dbraw/zinc/83/13/41/520831341.db2.gz FOCMONVYCUGQFX-IAGOWNOFSA-N 1 0 361.417 2.661 20 5 FFBDRO COc1cc(C[NH+](C)C)ccc1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000601622813 520870829 /nfs/dbraw/zinc/87/08/29/520870829.db2.gz VRIJDJRBVBJOKF-UHFFFAOYSA-N 1 0 359.382 2.683 20 5 FFBDRO CO[C@@H](C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000596066776 520892210 /nfs/dbraw/zinc/89/22/10/520892210.db2.gz QNQOYUQKFCGRAH-QAPCUYQASA-N 1 0 352.431 2.519 20 5 FFBDRO O=C(NCC1CC[NH+](Cc2ccncc2)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000601669299 520896024 /nfs/dbraw/zinc/89/60/24/520896024.db2.gz SPLOASQZOHKYEM-UHFFFAOYSA-N 1 0 372.400 2.771 20 5 FFBDRO C[NH+](C)CCOc1ccc(CNc2c(Cl)cncc2[N+](=O)[O-])cc1 ZINC000596080192 520901035 /nfs/dbraw/zinc/90/10/35/520901035.db2.gz BBGGIIPMEVYSKS-UHFFFAOYSA-N 1 0 350.806 2.618 20 5 FFBDRO CC(C)c1n[nH]c(C(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000610923692 520907168 /nfs/dbraw/zinc/90/71/68/520907168.db2.gz WOYVWPQHZNKFCR-HNNXBMFYSA-N 1 0 371.441 2.788 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000593336210 520918732 /nfs/dbraw/zinc/91/87/32/520918732.db2.gz DUXQJPILEBUXTR-HXUWFJFHSA-N 1 0 369.421 2.998 20 5 FFBDRO O=C([C@@H]1CCC[N@@H+]1C1CCCC1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000610986869 520930968 /nfs/dbraw/zinc/93/09/68/520930968.db2.gz AYTHWFBSENGGAI-IBGZPJMESA-N 1 0 372.469 2.650 20 5 FFBDRO COc1cccc(C(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000618222351 520950308 /nfs/dbraw/zinc/95/03/08/520950308.db2.gz XJERMVIMRZWJAX-MRXNPFEDSA-N 1 0 369.421 2.950 20 5 FFBDRO CCC1([NH+](C)C)CCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000601791556 520954848 /nfs/dbraw/zinc/95/48/48/520954848.db2.gz KTWVXNTUAMQRSB-UHFFFAOYSA-N 1 0 372.425 2.795 20 5 FFBDRO CCC[NH+]1CCC(NC(=O)c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000598978510 520956331 /nfs/dbraw/zinc/95/63/31/520956331.db2.gz DWOYIWDDQXKZOE-UHFFFAOYSA-N 1 0 370.247 2.962 20 5 FFBDRO COc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC(=O)N3C3CC3)C2)cc1[N+](=O)[O-] ZINC000611072245 520971255 /nfs/dbraw/zinc/97/12/55/520971255.db2.gz BGZNFYROGILDKC-HOCLYGCPSA-N 1 0 359.426 2.579 20 5 FFBDRO C[C@@H]1CCC[C@@](CNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])([NH+](C)C)C1 ZINC000593416937 520979186 /nfs/dbraw/zinc/97/91/86/520979186.db2.gz FJUOYKZMERVYLP-FZKQIMNGSA-N 1 0 351.422 2.903 20 5 FFBDRO COc1cc(NCCN2CC[N@H+](C)C(C)(C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596223588 520979839 /nfs/dbraw/zinc/97/98/39/520979839.db2.gz SDEZDXCPGONFAK-UHFFFAOYSA-N 1 0 356.854 2.695 20 5 FFBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593419669 520981989 /nfs/dbraw/zinc/98/19/89/520981989.db2.gz HYOAHERHGMZXEV-MJBXVCDLSA-N 1 0 351.422 2.759 20 5 FFBDRO CNC(=O)c1ccc(N2CCC([NH2+]Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000596251979 520993880 /nfs/dbraw/zinc/99/38/80/520993880.db2.gz AUZQGLHKRXEOMD-UHFFFAOYSA-N 1 0 368.437 2.713 20 5 FFBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000599044484 520996735 /nfs/dbraw/zinc/99/67/35/520996735.db2.gz YCTIYLOUBFTZMJ-ZWKOTPCHSA-N 1 0 353.422 2.899 20 5 FFBDRO C[C@H]1CN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000596256892 520997673 /nfs/dbraw/zinc/99/76/73/520997673.db2.gz IDIGMUUTCXQDBQ-OAHLLOKOSA-N 1 0 368.437 2.652 20 5 FFBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000611155701 521013809 /nfs/dbraw/zinc/01/38/09/521013809.db2.gz ORPSZMPQMHXHOT-GOSISDBHSA-N 1 0 360.458 2.797 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000599088360 521023762 /nfs/dbraw/zinc/02/37/62/521023762.db2.gz QKDLMOPOOPZAML-CYBMUJFWSA-N 1 0 371.393 2.964 20 5 FFBDRO Cc1cnc(N2CCO[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]32)c([N+](=O)[O-])c1 ZINC000593495821 521031813 /nfs/dbraw/zinc/03/18/13/521031813.db2.gz JWBDBRXAJQZSQV-RTBURBONSA-N 1 0 368.437 2.778 20 5 FFBDRO CC(C)(C)Oc1cc(N2CC[NH+](C(C)(C)CO)CC2)ccc1[N+](=O)[O-] ZINC000611203837 521035637 /nfs/dbraw/zinc/03/56/37/521035637.db2.gz BVORFNGJDVSLQI-UHFFFAOYSA-N 1 0 351.447 2.665 20 5 FFBDRO [NH3+]C[C@@H]1CCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c2ccccc21 ZINC000601963035 521044784 /nfs/dbraw/zinc/04/47/84/521044784.db2.gz JFAYDDWPNKYCKD-LIRRHRJNSA-N 1 0 366.421 2.653 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCO[C@@H](C(F)F)CC1 ZINC000601971652 521048946 /nfs/dbraw/zinc/04/89/46/521048946.db2.gz DHMWTDXJNWNXMZ-CQSZACIVSA-N 1 0 357.357 2.588 20 5 FFBDRO O=[N+]([O-])c1cc2c(cc1CN1CCC(C[NH+]3CCCC3)CC1)OCCO2 ZINC000611254604 521060392 /nfs/dbraw/zinc/06/03/92/521060392.db2.gz DFDKIHNEEPAQIN-UHFFFAOYSA-N 1 0 361.442 2.674 20 5 FFBDRO CC1([NH+]2CCOCC2)CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000599160628 521063220 /nfs/dbraw/zinc/06/32/20/521063220.db2.gz PISSYUARBZOPFJ-UHFFFAOYSA-N 1 0 356.426 2.834 20 5 FFBDRO O=[N+]([O-])c1ccc(CN2CCOCC2)cc1NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000599164088 521065684 /nfs/dbraw/zinc/06/56/84/521065684.db2.gz JJINESOOVLGVFW-SFHVURJKSA-N 1 0 374.485 2.856 20 5 FFBDRO O=[N+]([O-])c1cc2c(cc1CN1CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C1)OCCO2 ZINC000611287367 521081837 /nfs/dbraw/zinc/08/18/37/521081837.db2.gz ZUDJVJXEWWGKGD-YOEHRIQHSA-N 1 0 373.453 2.815 20 5 FFBDRO COC(=O)Cc1ccc(NC[C@@H]2CCC[N@H+](CC3CC3)C2)c([N+](=O)[O-])c1 ZINC000596571724 521137487 /nfs/dbraw/zinc/13/74/87/521137487.db2.gz YVKUMXZMZBNDTB-INIZCTEOSA-N 1 0 361.442 2.844 20 5 FFBDRO O=c1[nH]cnc2cc(NC[C@H]3CCC[N@H+](CC4CC4)C3)c([N+](=O)[O-])cc21 ZINC000596571759 521137960 /nfs/dbraw/zinc/13/79/60/521137960.db2.gz ZSYBEEDGZMWJSQ-CYBMUJFWSA-N 1 0 357.414 2.778 20 5 FFBDRO Cc1cc(NC(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)ccc1[N+](=O)[O-] ZINC000593763056 521201197 /nfs/dbraw/zinc/20/11/97/521201197.db2.gz CXUPDHJXCBUHMR-JJRVBVJISA-N 1 0 362.430 2.653 20 5 FFBDRO C[NH+](C)CC1CCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000599472167 521245191 /nfs/dbraw/zinc/24/51/91/521245191.db2.gz BMLASRNIZKPJTG-UHFFFAOYSA-N 1 0 370.247 2.771 20 5 FFBDRO CN(CC[NH+]1CCCCC1)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000593885046 521273370 /nfs/dbraw/zinc/27/33/70/521273370.db2.gz ZRRSADBXKKSJKG-UHFFFAOYSA-N 1 0 374.485 2.756 20 5 FFBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3ccc4nccnc4c3)C2)nc1 ZINC000602471612 521362667 /nfs/dbraw/zinc/36/26/67/521362667.db2.gz FHMJLAOVUOHJEA-AWEZNQCLSA-N 1 0 350.382 2.619 20 5 FFBDRO CC(C)(C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)N1CCOCC1 ZINC000602477663 521367929 /nfs/dbraw/zinc/36/79/29/521367929.db2.gz SAUWNKJNIIKZHO-UHFFFAOYSA-N 1 0 363.458 2.549 20 5 FFBDRO CCC1([NH+]2CCOCC2)CCN(Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000599663116 521374784 /nfs/dbraw/zinc/37/47/84/521374784.db2.gz BYJMEZSCPTZWRF-UHFFFAOYSA-N 1 0 351.422 2.811 20 5 FFBDRO Cc1ccc2nc(C[NH2+]C3CCN(c4ccc([N+](=O)[O-])nc4)CC3)cn2c1 ZINC000602549599 521406394 /nfs/dbraw/zinc/40/63/94/521406394.db2.gz ICTKZZDUNOTFJP-UHFFFAOYSA-N 1 0 366.425 2.705 20 5 FFBDRO CCc1cnc(CC[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)s1 ZINC000602561039 521412353 /nfs/dbraw/zinc/41/23/53/521412353.db2.gz PTQPXOCGCRRGIV-UHFFFAOYSA-N 1 0 361.471 2.810 20 5 FFBDRO O=[N+]([O-])c1sc(C[NH2+][C@H]2CCN(CC3CC3)C2)cc1Br ZINC000602564005 521413069 /nfs/dbraw/zinc/41/30/69/521413069.db2.gz KHOUFYXPLHOFMK-JTQLQIEISA-N 1 0 360.277 2.993 20 5 FFBDRO [NH3+][C@H]1CCCCCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000602577823 521419078 /nfs/dbraw/zinc/41/90/78/521419078.db2.gz CIVGFTYKFNGFIM-LBPRGKRZSA-N 1 0 356.220 2.701 20 5 FFBDRO CC(C)[C@@H](O)C(C)(C)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602581012 521420816 /nfs/dbraw/zinc/42/08/16/521420816.db2.gz SKUUUCNHTYMWIA-QGZVFWFLSA-N 1 0 350.463 2.591 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3[C@H]4CCO[C@@H]4C34CCCC4)CC2)cn1 ZINC000602582429 521423521 /nfs/dbraw/zinc/42/35/21/521423521.db2.gz OVTVOOIYWWNCNM-QRQLOZEOSA-N 1 0 372.469 2.896 20 5 FFBDRO CC(C)[C@H]1CN(C(=O)c2c(Br)cccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000599827796 521495852 /nfs/dbraw/zinc/49/58/52/521495852.db2.gz DGPLMYCMABJNTQ-CYBMUJFWSA-N 1 0 370.247 2.770 20 5 FFBDRO COc1cc(C[NH2+][C@@H]2C[C@@H](C)O[C@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000602732574 521502880 /nfs/dbraw/zinc/50/28/80/521502880.db2.gz AGDOLEZFDSUGAG-JFGNBEQYSA-N 1 0 360.357 2.903 20 5 FFBDRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597102834 521507621 /nfs/dbraw/zinc/50/76/21/521507621.db2.gz YYSSGWSQDXIJHC-CYBMUJFWSA-N 1 0 355.826 2.634 20 5 FFBDRO CCC1([NH+](C)C)CCN(Cc2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000602739811 521507810 /nfs/dbraw/zinc/50/78/10/521507810.db2.gz UMEYEWIMEHLCDQ-UHFFFAOYSA-N 1 0 351.447 2.918 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H](Cn2cnc3ccccc32)C1 ZINC000602810250 521545257 /nfs/dbraw/zinc/54/52/57/521545257.db2.gz GFXIQVOHQNUFNJ-INIZCTEOSA-N 1 0 368.441 2.862 20 5 FFBDRO Cn1cc(C[NH2+][C@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)c([N+](=O)[O-])n1 ZINC000602839633 521564500 /nfs/dbraw/zinc/56/45/00/521564500.db2.gz WCMKPLGGAGIIMM-LSDHHAIUSA-N 1 0 367.812 2.656 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(Cc2nc3ccccc3[nH]2)CC1 ZINC000602845089 521568154 /nfs/dbraw/zinc/56/81/54/521568154.db2.gz GSFUGSRNSOWDHY-UHFFFAOYSA-N 1 0 368.441 2.931 20 5 FFBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NC1CC([NH+]2CCCCC2)C1 ZINC000619451650 521576084 /nfs/dbraw/zinc/57/60/84/521576084.db2.gz RRKIRKFBKAEYAY-UHFFFAOYSA-N 1 0 356.426 2.683 20 5 FFBDRO C[C@@](O)(CO)C[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000619464243 521582412 /nfs/dbraw/zinc/58/24/12/521582412.db2.gz DTHGLOJJWAMKOR-KRWDZBQOSA-N 1 0 366.801 2.873 20 5 FFBDRO CC[C@H]1C[N@H+](C)CCCN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000619566971 521773766 /nfs/dbraw/zinc/77/37/66/521773766.db2.gz DRCOALBQGRNWFD-INIZCTEOSA-N 1 0 360.458 2.751 20 5 FFBDRO O=C(C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])N[C@@H]1CCOc2ccccc21 ZINC000619715655 521834406 /nfs/dbraw/zinc/83/44/06/521834406.db2.gz RRVZMYAHDMTKKY-XTKXOIQPSA-N 1 0 367.405 2.838 20 5 FFBDRO C[N@H+](CCCOc1cccc(-c2nn[nH]n2)c1)Cc1ccccc1[N+](=O)[O-] ZINC000821600171 606883724 /nfs/dbraw/zinc/88/37/24/606883724.db2.gz AOJUQVVWPFVYHM-UHFFFAOYSA-N 1 0 368.397 2.676 20 5 FFBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]Cc1cccc(-c2nn[nH]n2)c1)C1CC1 ZINC000823648322 606996418 /nfs/dbraw/zinc/99/64/18/606996418.db2.gz UQETVSDOJHFLPM-KRWDZBQOSA-N 1 0 364.409 2.886 20 5 FFBDRO Cc1ccc([C@H](C)[NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)cc1[N+](=O)[O-] ZINC000826282799 608280415 /nfs/dbraw/zinc/28/04/15/608280415.db2.gz CPTJJHGQLDZZGL-ZDUSSCGKSA-N 1 0 368.397 2.813 20 5 FFBDRO O=[N+]([O-])c1cccc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)n1 ZINC001164695671 719888028 /nfs/dbraw/zinc/88/80/28/719888028.db2.gz PZYWZKJTAIVRIS-UHFFFAOYSA-N 1 0 374.466 2.923 20 5 FFBDRO COc1cc(C)nc(N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)c1[N+](=O)[O-] ZINC001164722587 720374662 /nfs/dbraw/zinc/37/46/62/720374662.db2.gz DOOAIGWTLNLREM-JKSUJKDBSA-N 1 0 369.425 2.555 20 5 FFBDRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2ccc3c(cccc3[N+](=O)[O-])n2)C1 ZINC001164732150 720513693 /nfs/dbraw/zinc/51/36/93/720513693.db2.gz YUPFZEKYIKPAPB-AWEZNQCLSA-N 1 0 366.425 2.538 20 5 FFBDRO Cc1cnc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001164901707 721512816 /nfs/dbraw/zinc/51/28/16/721512816.db2.gz YDLPQNDFWUKPEQ-WBVHZDCISA-N 1 0 372.400 2.779 20 5 FFBDRO Cc1cc(N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)nc2ccc([N+](=O)[O-])cc12 ZINC001164965958 722069743 /nfs/dbraw/zinc/06/97/43/722069743.db2.gz SZXNIDOVLLHGKB-CALCHBBNSA-N 1 0 368.437 2.751 20 5 FFBDRO Cn1cc(C[NH2+]C[C@@H](O)c2ccsc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000152553385 728761013 /nfs/dbraw/zinc/76/10/13/728761013.db2.gz ZQRLGGKRSVMYJH-MRXNPFEDSA-N 1 0 358.423 2.880 20 5 FFBDRO C[C@@H]1SCCN(CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)[C@H]1C ZINC000154754418 728811011 /nfs/dbraw/zinc/81/10/11/728811011.db2.gz QOXIFKSGUAYVEA-STQMWFEESA-N 1 0 350.444 2.620 20 5 FFBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000744411602 735352869 /nfs/dbraw/zinc/35/28/69/735352869.db2.gz PZIFWICWHPMFOV-AWEZNQCLSA-N 1 0 368.865 2.993 20 5 FFBDRO O=C(NC1CC[NH+](C2CCOCC2)CC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000898625539 735390789 /nfs/dbraw/zinc/39/07/89/735390789.db2.gz ITALOUBWWFYNOK-UHFFFAOYSA-N 1 0 367.833 2.621 20 5 FFBDRO CC[C@@H](C(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+](CC)CC ZINC000745096087 735399184 /nfs/dbraw/zinc/39/91/84/735399184.db2.gz UCBKEEDBGYYLRA-WFASDCNBSA-N 1 0 351.403 2.585 20 5 FFBDRO CC[C@H](C(=O)O[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)[NH+](CC)CC ZINC000778677297 738403946 /nfs/dbraw/zinc/40/39/46/738403946.db2.gz QDMPUAADAQXCDT-QLFBSQMISA-N 1 0 352.435 2.939 20 5 FFBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000092627072 728469729 /nfs/dbraw/zinc/46/97/29/728469729.db2.gz OUHWDJZKYJNHDY-LLVKDONJSA-N 1 0 356.220 2.524 20 5 FFBDRO C[C@@H](CNC(=S)NCC1CC[NH+](C)CC1)c1ccccc1[N+](=O)[O-] ZINC000899621403 735532719 /nfs/dbraw/zinc/53/27/19/735532719.db2.gz MNZRGVKHLRQLHH-ZDUSSCGKSA-N 1 0 350.488 2.504 20 5 FFBDRO CCOC(=O)c1ccnc(NC[C@@H]2CC[N@H+](CC(C)C)C2)c1[N+](=O)[O-] ZINC000130583173 728719780 /nfs/dbraw/zinc/71/97/80/728719780.db2.gz OTIJUJANFIETTB-ZDUSSCGKSA-N 1 0 350.419 2.556 20 5 FFBDRO O=C(CN1CC[C@H](C[NH+]2CCCC2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000150844263 728743605 /nfs/dbraw/zinc/74/36/05/728743605.db2.gz LXFSVZUHGUNFCI-CYBMUJFWSA-N 1 0 366.849 2.604 20 5 FFBDRO Cc1c(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000175807438 729102140 /nfs/dbraw/zinc/10/21/40/729102140.db2.gz HUQAUYRANHHOSH-LLVKDONJSA-N 1 0 352.391 2.518 20 5 FFBDRO C[NH2+][C@H](C)Cc1noc(-c2cc(F)cc([N+](=O)[O-])c2Br)n1 ZINC000261828713 729654190 /nfs/dbraw/zinc/65/41/90/729654190.db2.gz RDTLEWCGDCDVFK-ZCFIWIBFSA-N 1 0 359.155 2.697 20 5 FFBDRO CC[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C[C@H](C)[NH2+]1 ZINC000856408985 730334365 /nfs/dbraw/zinc/33/43/65/730334365.db2.gz ZXAGGJWICOADBM-WCBMZHEXSA-N 1 0 374.210 2.709 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)cc1Cl ZINC000856431021 730336354 /nfs/dbraw/zinc/33/63/54/730336354.db2.gz OEXKZUUCMWXDGN-CYBMUJFWSA-N 1 0 369.849 2.739 20 5 FFBDRO CC[NH+]1CCN([C@@H](C)CNc2cccc(Br)c2[N+](=O)[O-])CC1 ZINC000856723593 730350150 /nfs/dbraw/zinc/35/01/50/730350150.db2.gz YCSRDQTYLGPWRL-LBPRGKRZSA-N 1 0 371.279 2.795 20 5 FFBDRO C[C@H]1COCC[N@@H+]1C1CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000857263339 730388124 /nfs/dbraw/zinc/38/81/24/730388124.db2.gz XCGBXUMIYMKJTF-LBPRGKRZSA-N 1 0 367.833 2.574 20 5 FFBDRO CN1CC[NH+](CC2CN(c3c(Cl)cc([N+](=O)[O-])cc3Cl)C2)CC1 ZINC000858610915 730429887 /nfs/dbraw/zinc/42/98/87/730429887.db2.gz JGFSGZPZDQAYGU-UHFFFAOYSA-N 1 0 359.257 2.585 20 5 FFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@](C)(O)c1ccsc1 ZINC000766133044 737199348 /nfs/dbraw/zinc/19/93/48/737199348.db2.gz DGIPMYJTEBSQQZ-SJCJKPOMSA-N 1 0 363.439 2.871 20 5 FFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)OC[C@@]1(C)C[C@@H](OC)C[N@@H+]1C ZINC000861350677 730602867 /nfs/dbraw/zinc/60/28/67/730602867.db2.gz QNRDTFWQIFAFLU-CXAGYDPISA-N 1 0 368.455 2.973 20 5 FFBDRO COc1cc(C(=O)OCC23CCC[NH+](CCC2)C3)c([N+](=O)[O-])cc1F ZINC000861362705 730605211 /nfs/dbraw/zinc/60/52/11/730605211.db2.gz FYZHRXOLBSMGDN-UHFFFAOYSA-N 1 0 352.362 2.775 20 5 FFBDRO C[C@@H](NC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000925167370 738484919 /nfs/dbraw/zinc/48/49/19/738484919.db2.gz BVYCFPQPSSROPY-UHOFOFEASA-N 1 0 364.471 2.535 20 5 FFBDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)Cc2cccc(F)c2[N+](=O)[O-])C1 ZINC000864883411 730888301 /nfs/dbraw/zinc/88/83/01/730888301.db2.gz AWEIZSPXSMVIFD-CQSZACIVSA-N 1 0 351.422 2.905 20 5 FFBDRO CC1CC[NH+](CCCCNC(=O)Cc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000864886581 730888671 /nfs/dbraw/zinc/88/86/71/730888671.db2.gz XNVPPAMFMVPZOZ-UHFFFAOYSA-N 1 0 351.422 2.905 20 5 FFBDRO COCCN(CC1CC[NH+](C)CC1)c1cc(OC)c([N+](=O)[O-])cc1F ZINC000865996717 731019910 /nfs/dbraw/zinc/01/99/10/731019910.db2.gz RORKSQIADWQKTO-UHFFFAOYSA-N 1 0 355.410 2.537 20 5 FFBDRO CCOC(=O)c1ccnc(NC2CCC(C)([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000866148782 731034940 /nfs/dbraw/zinc/03/49/40/731034940.db2.gz TUVLSVMLHXGXMO-UHFFFAOYSA-N 1 0 350.419 2.841 20 5 FFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC1(S(C)(=O)=O)CCCC1 ZINC000866359700 731051803 /nfs/dbraw/zinc/05/18/03/731051803.db2.gz VMCVGZWVMFUUQZ-GFCCVEGCSA-N 1 0 358.435 2.612 20 5 FFBDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)Cc2cccc(F)c2[N+](=O)[O-])C1 ZINC000866841431 731107130 /nfs/dbraw/zinc/10/71/30/731107130.db2.gz BWZCCPCXVCWPOV-CQSZACIVSA-N 1 0 351.422 2.761 20 5 FFBDRO COCCO[C@@H]1COCC[C@@H]1[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872063802 731725511 /nfs/dbraw/zinc/72/55/11/731725511.db2.gz SQTKBSMFDWDIGV-VBNZEHGJSA-N 1 0 370.471 2.788 20 5 FFBDRO COCCO[C@@H]1COCC[C@H]1[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872063799 731725615 /nfs/dbraw/zinc/72/56/15/731725615.db2.gz SQTKBSMFDWDIGV-APHBMKBZSA-N 1 0 370.471 2.788 20 5 FFBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H]1CCCN1CCCO ZINC000872074962 731726960 /nfs/dbraw/zinc/72/69/60/731726960.db2.gz KZMFBUCGGWYIEK-UKRRQHHQSA-N 1 0 353.488 2.814 20 5 FFBDRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000874825154 732104148 /nfs/dbraw/zinc/10/41/48/732104148.db2.gz WZQRPJNHULKEAN-NEPJUHHUSA-N 1 0 368.231 2.666 20 5 FFBDRO O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877283344 732340273 /nfs/dbraw/zinc/34/02/73/732340273.db2.gz WDMODYBIHWKOHZ-HIFRSBDPSA-N 1 0 358.423 2.685 20 5 FFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@H](CCO)c3ccc(Cl)cc3)C2)c1 ZINC000877529358 732381342 /nfs/dbraw/zinc/38/13/42/732381342.db2.gz AMEUOSIGALBHHT-ZBCRRDGASA-N 1 0 350.806 2.862 20 5 FFBDRO C[C@@](CO)([NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000879272211 732676415 /nfs/dbraw/zinc/67/64/15/732676415.db2.gz MIMPZEQAGBABPZ-SJORKVTESA-N 1 0 368.792 2.918 20 5 FFBDRO CC[C@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@H]1CCCOC1 ZINC000880468284 732912083 /nfs/dbraw/zinc/91/20/83/732912083.db2.gz CPMGCLOQRBBIEY-WFASDCNBSA-N 1 0 353.394 2.857 20 5 FFBDRO CS(=O)(=O)c1ccccc1CC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000926906551 738667306 /nfs/dbraw/zinc/66/73/06/738667306.db2.gz VWSSIYRCTAABTD-INIZCTEOSA-N 1 0 360.435 2.818 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000881473929 733059672 /nfs/dbraw/zinc/05/96/72/733059672.db2.gz CTBIXWZCWBXDDS-CQSZACIVSA-N 1 0 367.833 2.621 20 5 FFBDRO C[C@H]1CN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCN1c1cc[nH+]cc1 ZINC000881634950 733076987 /nfs/dbraw/zinc/07/69/87/733076987.db2.gz BSSPOPKGFVUWEF-LBPRGKRZSA-N 1 0 360.801 2.994 20 5 FFBDRO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CCN1c1cc[nH+]cc1 ZINC000881635576 733077340 /nfs/dbraw/zinc/07/73/40/733077340.db2.gz GOQKQHKUGYYFBV-GFCCVEGCSA-N 1 0 360.801 2.994 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CC[C@@H]1CCCS1(=O)=O)CCCC2 ZINC000883309151 733366906 /nfs/dbraw/zinc/36/69/06/733366906.db2.gz FVAPBQWGJDZLNG-DOTOQJQBSA-N 1 0 352.456 2.919 20 5 FFBDRO C[NH2+]C[C@H]1CCCCN1Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000883449450 733386763 /nfs/dbraw/zinc/38/67/63/733386763.db2.gz RFEMEFJIJRAADF-GFCCVEGCSA-N 1 0 359.373 2.779 20 5 FFBDRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1c1ncnc2sc([N+](=O)[O-])cc21 ZINC000884853070 733582113 /nfs/dbraw/zinc/58/21/13/733582113.db2.gz DUCNDKIWPDBMGB-LLVKDONJSA-N 1 0 356.411 2.710 20 5 FFBDRO CC[C@@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C1CCOCC1 ZINC000782531431 738731595 /nfs/dbraw/zinc/73/15/95/738731595.db2.gz OMCHHICPQUHHSC-OAHLLOKOSA-N 1 0 353.394 2.857 20 5 FFBDRO O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000927646680 738765431 /nfs/dbraw/zinc/76/54/31/738765431.db2.gz WFZMMGDMONQNTA-ZDUSSCGKSA-N 1 0 368.821 2.623 20 5 FFBDRO COCC[NH+]1CCC(NC(=O)Nc2cc([N+](=O)[O-])c(Cl)cc2C)CC1 ZINC000888288292 734032323 /nfs/dbraw/zinc/03/23/23/734032323.db2.gz HUQVCXSCOUTBCN-UHFFFAOYSA-N 1 0 370.837 2.789 20 5 FFBDRO O=C(NCC(F)(F)F)[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000783680058 738826281 /nfs/dbraw/zinc/82/62/81/738826281.db2.gz PBLUWYAHWAAPMN-SNVBAGLBSA-N 1 0 365.739 2.749 20 5 FFBDRO C[C@@H]1[C@@H](NC(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)CC[N@@H+]1C ZINC000928431779 738868241 /nfs/dbraw/zinc/86/82/41/738868241.db2.gz OJTVZHCEBCXKIQ-MUWHJKNJSA-N 1 0 350.177 2.863 20 5 FFBDRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000895270833 734984606 /nfs/dbraw/zinc/98/46/06/734984606.db2.gz LNJGEQXJDMZRCJ-GFCCVEGCSA-N 1 0 360.801 2.994 20 5 FFBDRO COC(=O)c1cnc(CC[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)s1 ZINC000896931089 735188580 /nfs/dbraw/zinc/18/85/80/735188580.db2.gz DJFLYAPTCSLXAI-UHFFFAOYSA-N 1 0 355.803 2.824 20 5 FFBDRO COc1c(O)ccc(C[N@@H+]2CCC[C@H](C3CCOCC3)C2)c1[N+](=O)[O-] ZINC000897269746 735213658 /nfs/dbraw/zinc/21/36/58/735213658.db2.gz OLFZLWKGGAVDRC-AWEZNQCLSA-N 1 0 350.415 2.948 20 5 FFBDRO C[NH+](C)CCOC1CCN(c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000747621646 735575166 /nfs/dbraw/zinc/57/51/66/735575166.db2.gz XKUIYQRVUWPSIP-UHFFFAOYSA-N 1 0 372.263 2.904 20 5 FFBDRO CCC[N@H+](CC)CCNS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000752255161 735971136 /nfs/dbraw/zinc/97/11/36/735971136.db2.gz UDGJHMZNVHCSIE-UHFFFAOYSA-N 1 0 363.867 2.567 20 5 FFBDRO CO[C@@]1(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCSC1 ZINC000903309498 736073549 /nfs/dbraw/zinc/07/35/49/736073549.db2.gz FGXZTZCJFDMFMS-QGZVFWFLSA-N 1 0 351.472 2.675 20 5 FFBDRO O=C(C[NH2+][C@H](CCO)c1cccs1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000754386727 736154505 /nfs/dbraw/zinc/15/45/05/736154505.db2.gz LQDZOPQYIXPMSH-LLVKDONJSA-N 1 0 369.830 2.962 20 5 FFBDRO C[C@@H]1C[NH+](CCCCNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000754613914 736179800 /nfs/dbraw/zinc/17/98/00/736179800.db2.gz KQDJJGADFFBKSS-CHWSQXEVSA-N 1 0 352.391 2.804 20 5 FFBDRO C[C@H](CC[NH+](C)C)NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000755024065 736227392 /nfs/dbraw/zinc/22/73/92/736227392.db2.gz FOLFZWNOUFFBRY-SECBINFHSA-N 1 0 359.224 2.819 20 5 FFBDRO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CCC[C@@]12CC[NH2+]C2 ZINC000904470426 736254001 /nfs/dbraw/zinc/25/40/01/736254001.db2.gz KVNGCJKEHDNJQI-AWEZNQCLSA-N 1 0 369.219 2.717 20 5 FFBDRO O=[N+]([O-])c1cc(Br)ccc1C[NH2+]C[C@H](O)CCC1(O)CCC1 ZINC000905427838 736339504 /nfs/dbraw/zinc/33/95/04/736339504.db2.gz OFFLAPQHANGHEC-CYBMUJFWSA-N 1 0 373.247 2.503 20 5 FFBDRO O=[N+]([O-])c1cc(Br)ccc1C[NH2+]C[C@@H](O)CC1(O)CCCC1 ZINC000905428741 736339684 /nfs/dbraw/zinc/33/96/84/736339684.db2.gz VODAXHPQDGYSQV-ZDUSSCGKSA-N 1 0 373.247 2.503 20 5 FFBDRO C[C@H]1C[C@H](NC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C[N@@H+]1C1CC1 ZINC000756952436 736376237 /nfs/dbraw/zinc/37/62/37/736376237.db2.gz SUAXAALEMUZGQS-JQWIXIFHSA-N 1 0 352.822 2.673 20 5 FFBDRO CN(C(=O)NCc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000757262651 736399309 /nfs/dbraw/zinc/39/93/09/736399309.db2.gz PHPMWWGUEZUGEF-CQSZACIVSA-N 1 0 352.822 2.626 20 5 FFBDRO CC[N@H+](CCNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)CCC(F)(F)F ZINC000757619442 736414071 /nfs/dbraw/zinc/41/40/71/736414071.db2.gz WMWLIDZHZFTCJQ-VMPITWQZSA-N 1 0 359.348 2.999 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000757705885 736421277 /nfs/dbraw/zinc/42/12/77/736421277.db2.gz ZYLHCJVXHJNOAK-MNOVXSKESA-N 1 0 353.806 2.708 20 5 FFBDRO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000906240754 736475397 /nfs/dbraw/zinc/47/53/97/736475397.db2.gz OZROIAPYEXCWGC-ZIAGYGMSSA-N 1 0 351.834 2.924 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@@H](O)c2ccc(Cl)c(F)c2)cc1 ZINC000759046627 736543237 /nfs/dbraw/zinc/54/32/37/736543237.db2.gz BWISKUJBZKTDPD-HZPDHXFCSA-N 1 0 354.765 2.744 20 5 FFBDRO CSc1ccc(C(=O)OC[C@H]2C[N@H+](CC(C)C)CCO2)cc1[N+](=O)[O-] ZINC000759964403 736607120 /nfs/dbraw/zinc/60/71/20/736607120.db2.gz XZSDRZPTMQKBKD-CQSZACIVSA-N 1 0 368.455 2.830 20 5 FFBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC(CO)([NH2+]C(C)C)CC1 ZINC000908600641 736801183 /nfs/dbraw/zinc/80/11/83/736801183.db2.gz LZQZVKQJLJVWOS-UHFFFAOYSA-N 1 0 369.849 2.522 20 5 FFBDRO C[C@H]1CN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000764477792 737022260 /nfs/dbraw/zinc/02/22/60/737022260.db2.gz FWZRXOOZGRTMPH-YOEHRIQHSA-N 1 0 366.893 2.706 20 5 FFBDRO CC(C)OC(=O)C[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000766910788 737274627 /nfs/dbraw/zinc/27/46/27/737274627.db2.gz RQFTZLKLWFMXRN-WMLDXEAASA-N 1 0 350.415 2.682 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC(C)([NH+](C)C)CC1 ZINC000913397609 737398953 /nfs/dbraw/zinc/39/89/53/737398953.db2.gz BQPUNRKMQHEXIY-GFCCVEGCSA-N 1 0 369.849 2.958 20 5 FFBDRO CC(=O)N1CC[C@H](C[N@@H+](C)Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000770381695 737620513 /nfs/dbraw/zinc/62/05/13/737620513.db2.gz PGCJSBRWPKNLNN-CYBMUJFWSA-N 1 0 370.247 2.658 20 5 FFBDRO O=[N+]([O-])c1cc2cnn(CN3CC[C@@H](C[NH+]4CCCC4)C3)c2c(Cl)c1 ZINC000774639932 738008793 /nfs/dbraw/zinc/00/87/93/738008793.db2.gz ZUPCGDNOGAGJPO-ZDUSSCGKSA-N 1 0 363.849 2.973 20 5 FFBDRO COC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000775352341 738085876 /nfs/dbraw/zinc/08/58/76/738085876.db2.gz RVNJXWRSZAGKDF-GXTWGEPZSA-N 1 0 351.403 2.560 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@H]3C[C@@H]4COC[C@@H]4O3)cs2)c1 ZINC000922724202 738191976 /nfs/dbraw/zinc/19/19/76/738191976.db2.gz FRGIMHQRZGMXRJ-WQVCFCJDSA-N 1 0 361.423 2.612 20 5 FFBDRO COC(=O)C(C)(C)[C@H]1CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776597754 738212533 /nfs/dbraw/zinc/21/25/33/738212533.db2.gz MECYMXMUXMJSMG-HOCLYGCPSA-N 1 0 350.415 2.539 20 5 FFBDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000923269257 738264106 /nfs/dbraw/zinc/26/41/06/738264106.db2.gz YGVYDNLLHOBHTA-NWDGAFQWSA-N 1 0 355.797 2.625 20 5 FFBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778247730 738366585 /nfs/dbraw/zinc/36/65/85/738366585.db2.gz OCHOVOWCBJAOKI-OLZOCXBDSA-N 1 0 355.385 2.923 20 5 FFBDRO COCC[N@@H+](Cc1scnc1C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000785989774 739017165 /nfs/dbraw/zinc/01/71/65/739017165.db2.gz BMOZCTULWGEUSH-HNNXBMFYSA-N 1 0 351.428 2.542 20 5 FFBDRO C[N@@H+]1C[C@H]2CCN(C(=O)Nc3cc(Br)cc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000931335577 739247350 /nfs/dbraw/zinc/24/73/50/739247350.db2.gz XYGKAMFIFBCQKM-NOZJJQNGSA-N 1 0 369.219 2.525 20 5 FFBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC(C)([NH+](C)C)CC1 ZINC000931353701 739250227 /nfs/dbraw/zinc/25/02/27/739250227.db2.gz NQGTZRLNAOVPQL-GFCCVEGCSA-N 1 0 368.865 2.991 20 5 FFBDRO Nc1cc[nH+]c2c1CN(Cc1cccc([N+](=O)[O-])c1Br)CC2 ZINC000931516308 739278790 /nfs/dbraw/zinc/27/87/90/739278790.db2.gz SEKQTHHPPCQGSL-UHFFFAOYSA-N 1 0 363.215 2.893 20 5 FFBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000931725545 739319031 /nfs/dbraw/zinc/31/90/31/739319031.db2.gz ZUNHPEZXHJRWBZ-SCRDCRAPSA-N 1 0 366.849 2.744 20 5 FFBDRO C[C@]1([C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C2)COC(=O)N1 ZINC000932017559 739373499 /nfs/dbraw/zinc/37/34/99/739373499.db2.gz WGBWHVIHDHJGND-MLGOLLRUSA-N 1 0 353.806 2.959 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1C[C@@H](SC)[C@@H]([NH+](C)C)C1 ZINC000790271457 739431334 /nfs/dbraw/zinc/43/13/34/739431334.db2.gz AIMCMOALZNBYFH-QWHCGFSZSA-N 1 0 373.862 2.517 20 5 FFBDRO C[NH+](C)C[C@H]1CCCCN1C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000790808089 739497966 /nfs/dbraw/zinc/49/79/66/739497966.db2.gz QAUZNBOSKBXQKT-GFCCVEGCSA-N 1 0 357.813 2.873 20 5 FFBDRO CC(C)[N@@H+]1CCC[C@H](NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000791142758 739532286 /nfs/dbraw/zinc/53/22/86/739532286.db2.gz RBNKLUIPCRXWEH-LBPRGKRZSA-N 1 0 357.813 2.919 20 5 FFBDRO C[C@@H](C(=O)OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[NH+]1[C@H](C)CC[C@H]1C ZINC000791930086 739617486 /nfs/dbraw/zinc/61/74/86/739617486.db2.gz KEAGSTRFHGXCRN-UTUOFQBUSA-N 1 0 351.359 2.808 20 5 FFBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC000933436617 739624557 /nfs/dbraw/zinc/62/45/57/739624557.db2.gz USEFGVWPLFOPOW-WFASDCNBSA-N 1 0 353.850 2.979 20 5 FFBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)C1 ZINC000933778811 739689314 /nfs/dbraw/zinc/68/93/14/739689314.db2.gz JEIMEQURIAKCRV-JTQLQIEISA-N 1 0 372.828 2.773 20 5 FFBDRO CCOC(=O)CC1([NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCCC1 ZINC000792881254 739714900 /nfs/dbraw/zinc/71/49/00/739714900.db2.gz KSIMNRYNFMJTCD-UHFFFAOYSA-N 1 0 351.359 2.859 20 5 FFBDRO O=C(CC[N@H+]1CCCCC[C@H]1CCO)Nc1cc([N+](=O)[O-])ccc1F ZINC000792922894 739719112 /nfs/dbraw/zinc/71/91/12/739719112.db2.gz BUTDRRMYGHZVHW-ZDUSSCGKSA-N 1 0 353.394 2.690 20 5 FFBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CCC[C@@H]1C ZINC000793459918 739783767 /nfs/dbraw/zinc/78/37/67/739783767.db2.gz FUOBPNFPWPJELZ-JTQLQIEISA-N 1 0 370.247 2.880 20 5 FFBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)CC1 ZINC000935652789 739988308 /nfs/dbraw/zinc/98/83/08/739988308.db2.gz YGEKWEZZTLFSCH-SECBINFHSA-N 1 0 358.801 2.526 20 5 FFBDRO C[NH+]1CCN(CCNc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000796530317 740150057 /nfs/dbraw/zinc/15/00/57/740150057.db2.gz HBCSFSDMQHJCHZ-UHFFFAOYSA-N 1 0 366.771 2.926 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000800399570 740519328 /nfs/dbraw/zinc/51/93/28/740519328.db2.gz QFCHWWINZMEYGM-JKSUJKDBSA-N 1 0 362.813 2.745 20 5 FFBDRO CC(C)[N@H+](C)CC1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 ZINC000801841040 740656958 /nfs/dbraw/zinc/65/69/58/740656958.db2.gz DLMXQMCZMIJZFJ-UHFFFAOYSA-N 1 0 352.410 2.509 20 5 FFBDRO CC(C)[N@@H+]1CCO[C@H](COC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)C1 ZINC000802140872 740677863 /nfs/dbraw/zinc/67/78/63/740677863.db2.gz MOCWKRXMIYATQV-ZFWWWQNUSA-N 1 0 368.455 2.728 20 5 FFBDRO COCC[N@@H+]1CC[C@H](Nc2ccc(C)c(Br)c2[N+](=O)[O-])C1 ZINC000804442286 740874484 /nfs/dbraw/zinc/87/44/84/740874484.db2.gz ULRSYVKVJLWCER-NSHDSACASA-N 1 0 358.236 2.798 20 5 FFBDRO C[C@H]1CCC[C@H](C)[NH+]1CC(N)=NOCCOc1ccccc1[N+](=O)[O-] ZINC000809374315 741302797 /nfs/dbraw/zinc/30/27/97/741302797.db2.gz IKMGJQMNKIECMC-KBPBESRZSA-N 1 0 350.419 2.735 20 5 FFBDRO C[C@@H]1CCC[C@@H](C)[NH+]1CC(N)=NOCCOc1cccc([N+](=O)[O-])c1 ZINC000809374878 741303069 /nfs/dbraw/zinc/30/30/69/741303069.db2.gz RFSOWHBERQDCML-ZIAGYGMSSA-N 1 0 350.419 2.735 20 5 FFBDRO [NH3+]CCN(Cc1ccc(Br)cn1)c1ccc([N+](=O)[O-])cc1 ZINC000809734832 741337786 /nfs/dbraw/zinc/33/77/86/741337786.db2.gz LXWSUQZUURHEJP-UHFFFAOYSA-N 1 0 351.204 2.718 20 5 FFBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1CN1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000809943230 741364266 /nfs/dbraw/zinc/36/42/66/741364266.db2.gz ZIIBLBVVNGVACT-HUUCEWRRSA-N 1 0 374.268 2.933 20 5 FFBDRO COc1ccc(COC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000811446650 741522778 /nfs/dbraw/zinc/52/27/78/741522778.db2.gz WAPDZDXIWVQMFR-QGZVFWFLSA-N 1 0 354.378 2.859 20 5 FFBDRO CN(C)c1cc(F)c(C(=O)OCCC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000814485112 741835586 /nfs/dbraw/zinc/83/55/86/741835586.db2.gz WQXIXXULKGGOLJ-UHFFFAOYSA-N 1 0 353.394 2.833 20 5 FFBDRO CC(C)[C@@H](O)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000814622599 741850985 /nfs/dbraw/zinc/85/09/85/741850985.db2.gz XZQVKDOLMRRGIU-HNNXBMFYSA-N 1 0 361.364 2.753 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2CCN(c3ncccc3Cl)C2)c1 ZINC000819155791 742345047 /nfs/dbraw/zinc/34/50/47/742345047.db2.gz XCBUQLRCLOUHJX-CZUORRHYSA-N 1 0 362.817 2.545 20 5 FFBDRO O=C(CC[NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12)Nc1ccccc1[N+](=O)[O-] ZINC000819196405 742351736 /nfs/dbraw/zinc/35/17/36/742351736.db2.gz BNPSYEMLPVUGPI-IVMMDQJWSA-N 1 0 367.496 2.893 20 5 FFBDRO COCC(C)(C)[NH+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000824159931 743029953 /nfs/dbraw/zinc/02/99/53/743029953.db2.gz IJXUTRHCZWXHBD-UHFFFAOYSA-N 1 0 370.837 2.823 20 5 FFBDRO CC(C)(C)OC(=O)N1CC2(C1)C[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)CO2 ZINC000827064322 743497644 /nfs/dbraw/zinc/49/76/44/743497644.db2.gz AYYBQSMEWWWDOH-LBPRGKRZSA-N 1 0 369.443 2.524 20 5 FFBDRO CC(C)(C)[NH2+]CCC(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000829296213 745189752 /nfs/dbraw/zinc/18/97/52/745189752.db2.gz FRSRNBOCNJJCEU-UHFFFAOYSA-N 1 0 358.236 2.752 20 5 FFBDRO C[C@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC2(CCC2)O1 ZINC000830734186 745421585 /nfs/dbraw/zinc/42/15/85/745421585.db2.gz HIMNNAVIFAGLMC-LBPRGKRZSA-N 1 0 351.378 2.706 20 5 FFBDRO O=C(C[N@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000831159710 745492669 /nfs/dbraw/zinc/49/26/69/745492669.db2.gz XZCFWIUIDYJQNJ-XPKDYRNWSA-N 1 0 367.833 2.812 20 5 FFBDRO CO[C@@H]1[C@H](C)[C@@H]([NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1(C)C ZINC000831393308 745523770 /nfs/dbraw/zinc/52/37/70/745523770.db2.gz MSAQUCJXZLNRPQ-UHNFBRDESA-N 1 0 353.394 2.712 20 5 FFBDRO CCO[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1SC(C)C)C[NH+](C)C ZINC000831730672 745576158 /nfs/dbraw/zinc/57/61/58/745576158.db2.gz GFVIVCIYLGBKQC-AWEZNQCLSA-N 1 0 369.487 2.792 20 5 FFBDRO C[NH+]1CCC2(CC1)CN(C(=O)Nc1cccc([N+](=O)[O-])c1Cl)CCO2 ZINC000831786605 745584190 /nfs/dbraw/zinc/58/41/90/745584190.db2.gz OZTLBGCCXIAHHQ-UHFFFAOYSA-N 1 0 368.821 2.577 20 5 FFBDRO CC(C)[N@@H+]1CCCC[C@H]1COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000837436460 746445555 /nfs/dbraw/zinc/44/55/55/746445555.db2.gz BEFKYOSOKPPSMY-ZDUSSCGKSA-N 1 0 351.359 2.923 20 5 FFBDRO CC[NH+](CC)CCOC(=O)c1cc(Cl)c([N+](=O)[O-])cc1NC(C)=O ZINC000838059198 746568104 /nfs/dbraw/zinc/56/81/04/746568104.db2.gz UEUOTVYSWAHUBU-UHFFFAOYSA-N 1 0 357.794 2.705 20 5 FFBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000839440592 746828450 /nfs/dbraw/zinc/82/84/50/746828450.db2.gz WCOUTZRIAVOQKZ-LBPRGKRZSA-N 1 0 370.247 2.912 20 5 FFBDRO C[NH+](C)CCN(Cc1ccsc1)C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000839453047 746830870 /nfs/dbraw/zinc/83/08/70/746830870.db2.gz GGIFJSJDTORTEF-UHFFFAOYSA-N 1 0 351.403 2.999 20 5 FFBDRO CO[C@](C)([C@@H](C)[NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CC1 ZINC000839637526 746877339 /nfs/dbraw/zinc/87/73/39/746877339.db2.gz FARQLZSTBODJHF-QLJPJBMISA-N 1 0 355.822 2.980 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3CCCC(F)(F)[C@@H]3O)CC2)cc1 ZINC000840888129 747212933 /nfs/dbraw/zinc/21/29/33/747212933.db2.gz ZRWYXJJMZDJIPD-JKSUJKDBSA-N 1 0 355.385 2.702 20 5 FFBDRO O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000841162632 747285393 /nfs/dbraw/zinc/28/53/93/747285393.db2.gz YKEIVZWXYAEWOB-KOLCDFICSA-N 1 0 369.219 2.716 20 5 FFBDRO O=C(CN1CCCC[C@@H]1[C@H]1CC[NH2+]C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000842474205 747612545 /nfs/dbraw/zinc/61/25/45/747612545.db2.gz JPLNHULHDUJAKV-SWLSCSKDSA-N 1 0 366.849 2.651 20 5 FFBDRO C[C@@H]1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)[C@@H]1C[NH3+] ZINC000843347294 747814472 /nfs/dbraw/zinc/81/44/72/747814472.db2.gz TUXIBRLKVLOKMC-PRHODGIISA-N 1 0 374.210 2.696 20 5 FFBDRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(C(=O)c3cccc(Cl)c3[N+](=O)[O-])C2)C1 ZINC000846687323 748524121 /nfs/dbraw/zinc/52/41/21/748524121.db2.gz CUWOOXRRKTVNCD-YWPYICTPSA-N 1 0 367.833 2.607 20 5 FFBDRO C[C@@H]1COCC[N@@H+]1C1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000846912883 748572878 /nfs/dbraw/zinc/57/28/78/748572878.db2.gz PJFJSWVJZKKKPZ-CYBMUJFWSA-N 1 0 353.850 2.933 20 5 FFBDRO COc1ccc(CSCC(=O)OCC[C@H]2CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000847826311 748790734 /nfs/dbraw/zinc/79/07/34/748790734.db2.gz VVJNZBMAMMPUOT-CYBMUJFWSA-N 1 0 368.455 2.722 20 5 FFBDRO COCC[NH+]1CCC(OC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000847885261 748804030 /nfs/dbraw/zinc/80/40/30/748804030.db2.gz MOFTXPHUTJMENV-UHFFFAOYSA-N 1 0 350.415 2.986 20 5 FFBDRO CCOc1ccc([C@H](C)[NH2+]CC[S@](=O)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000850495383 749375225 /nfs/dbraw/zinc/37/52/25/749375225.db2.gz CQXSWUIHYOFJMZ-JUZXBQNTSA-N 1 0 368.377 2.955 20 5 FFBDRO Cc1cc(S(=O)(=O)N2CCC[C@@H](C)[C@H]2CCC[NH3+])cc([N+](=O)[O-])c1F ZINC000850591546 749392031 /nfs/dbraw/zinc/39/20/31/749392031.db2.gz YKIBJHRLWDLBIB-BXUZGUMPSA-N 1 0 373.450 2.570 20 5 FFBDRO CC(C)[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)[C@@H](O)c1ccc(Cl)cc1 ZINC000852731292 749937024 /nfs/dbraw/zinc/93/70/24/749937024.db2.gz WOPSBTYBPOOEEL-HOTGVXAUSA-N 1 0 352.822 2.793 20 5 FFBDRO Cc1nn(C)c(NCC2([N@H+](C)Cc3ccccc3)CCOCC2)c1[N+](=O)[O-] ZINC000896108240 971248202 /nfs/dbraw/zinc/24/82/02/971248202.db2.gz WIRNOGDDVZTEET-UHFFFAOYSA-N 1 0 373.457 2.730 20 5 FFBDRO O=C(Cc1cccc(F)c1[N+](=O)[O-])N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000866846360 958884653 /nfs/dbraw/zinc/88/46/53/958884653.db2.gz CSLFNZWWYZZHSD-RHSMWYFYSA-N 1 0 361.417 2.752 20 5 FFBDRO C[NH2+]Cc1c(C)nn(-c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)nn2)c1C ZINC001167099394 960042442 /nfs/dbraw/zinc/04/24/42/960042442.db2.gz UWRKUOTYSYPIOK-UHFFFAOYSA-N 1 0 352.398 2.882 20 5 FFBDRO Cc1ccc(C[N@H+]2CC[C@H](NC(=O)c3[nH]nc(C(C)C)c3[N+](=O)[O-])C2)cc1 ZINC001174843392 1013323933 /nfs/dbraw/zinc/32/39/33/1013323933.db2.gz NBDBRCGMDLSDGD-HNNXBMFYSA-N 1 0 371.441 2.754 20 5 FFBDRO O=C(C[N@@H+]1CCC[C@H]1C1CCC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000728288911 962468594 /nfs/dbraw/zinc/46/85/94/962468594.db2.gz KBBGKUYTLPBOCE-IBGZPJMESA-N 1 0 372.469 2.508 20 5 FFBDRO COc1cc(C)c([N+](=O)[O-])cc1N(Cc1ccccc1)C1(C[NH3+])COC1 ZINC001167374365 962485097 /nfs/dbraw/zinc/48/50/97/962485097.db2.gz AOKLZVPHMORHKS-UHFFFAOYSA-N 1 0 357.410 2.646 20 5 FFBDRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000873191323 1013416619 /nfs/dbraw/zinc/41/66/19/1013416619.db2.gz LWRMVQJBWNAVFL-IBGZPJMESA-N 1 0 360.410 2.695 20 5 FFBDRO Cc1c([N+](=O)[O-])cc(C(=O)N(C)C2CC[NH+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000891367206 963599599 /nfs/dbraw/zinc/59/95/99/963599599.db2.gz NIAOUVOCCYRDTH-UHFFFAOYSA-N 1 0 364.402 2.756 20 5 FFBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccc(C3CCCC3)cc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001022063730 964188259 /nfs/dbraw/zinc/18/82/59/964188259.db2.gz JJVZETGBRGGQCQ-FCGDIQPGSA-N 1 0 357.454 2.746 20 5 FFBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCCN1CCc2ccccc2C1 ZINC000843760794 965828234 /nfs/dbraw/zinc/82/82/34/965828234.db2.gz ALFQAIQEPMSYRN-UHFFFAOYSA-N 1 0 357.385 2.830 20 5 FFBDRO C[NH+](C)C1CN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)C1 ZINC000134909734 965972127 /nfs/dbraw/zinc/97/21/27/965972127.db2.gz PKAAUCSGSDWGNL-UHFFFAOYSA-N 1 0 354.410 2.593 20 5 FFBDRO C[NH+](C)Cc1ccc(NC(=O)Cn2cc([N+](=O)[O-])cn2)cc1C(F)(F)F ZINC000894980475 967141020 /nfs/dbraw/zinc/14/10/20/967141020.db2.gz QGDXIUUEWYJLST-UHFFFAOYSA-N 1 0 371.319 2.510 20 5 FFBDRO COc1c(O)ccc(CNC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000895113592 967657919 /nfs/dbraw/zinc/65/79/19/967657919.db2.gz BAXZMYZPEMEKEE-SJORKVTESA-N 1 0 371.437 2.744 20 5 FFBDRO C[N@H+](CCCO)C1CCN(c2c3cc(F)ccc3ncc2[N+](=O)[O-])CC1 ZINC000892553365 969475165 /nfs/dbraw/zinc/47/51/65/969475165.db2.gz MFHWXLSWKORLLD-UHFFFAOYSA-N 1 0 362.405 2.565 20 5 FFBDRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000874847386 1013917679 /nfs/dbraw/zinc/91/76/79/1013917679.db2.gz PBMBBLHGKQLCHA-MOPGFXCFSA-N 1 0 372.469 2.894 20 5 FFBDRO Cc1cc(C)c(OC(=O)[C@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)c([N+](=O)[O-])c1 ZINC000875062457 1013960200 /nfs/dbraw/zinc/96/02/00/1013960200.db2.gz UPODVVIIRNWLCB-JKSUJKDBSA-N 1 0 372.425 2.586 20 5 FFBDRO Cn1c2ccccc2c(N2CC[C@H](C[N@H+](C)CC3CC3)C2)c([N+](=O)[O-])c1=O ZINC000892764414 970279179 /nfs/dbraw/zinc/27/91/79/970279179.db2.gz XINGRCYZMUMQJD-OAHLLOKOSA-N 1 0 370.453 2.615 20 5 FFBDRO C[C@H](OC(=O)[C@@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000875160963 1013982147 /nfs/dbraw/zinc/98/21/47/1013982147.db2.gz DLDBPCYQHSMXPE-MORSLUCNSA-N 1 0 372.425 2.668 20 5 FFBDRO C[C@H](CNC(=O)N1CC[N@@H+](C2CC2)C[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000897064527 973215280 /nfs/dbraw/zinc/21/52/80/973215280.db2.gz YZWKKIVIQPHWLT-HUUCEWRRSA-N 1 0 360.458 2.824 20 5 FFBDRO COC(=O)c1cc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)ccc1C ZINC001167778992 974334853 /nfs/dbraw/zinc/33/48/53/974334853.db2.gz NRDYZFKLOQPBLX-HNNXBMFYSA-N 1 0 370.409 2.771 20 5 FFBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000125624152 975088773 /nfs/dbraw/zinc/08/87/73/975088773.db2.gz XITYWDKTYAKGAL-OAHLLOKOSA-N 1 0 360.458 2.640 20 5 FFBDRO Cc1ncccc1OC[C@H]1CCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000842173529 976710354 /nfs/dbraw/zinc/71/03/54/976710354.db2.gz RHNAKTPPVQLFDX-MSOLQXFVSA-N 1 0 357.410 2.875 20 5 FFBDRO Cc1cccc(CCC[N@@H+]2CCCC3(CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)C2)c1 ZINC000981764900 976764465 /nfs/dbraw/zinc/76/44/65/976764465.db2.gz JIMXIIDBCOGKEF-RTBURBONSA-N 1 0 371.481 2.517 20 5 FFBDRO O=C(/C=C\[C@H]1CCC[NH2+]C1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000876681242 1014349859 /nfs/dbraw/zinc/34/98/59/1014349859.db2.gz NPQKZQIXAWLLTC-JBGNVSFKSA-N 1 0 359.426 2.520 20 5 FFBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000843816121 977307218 /nfs/dbraw/zinc/30/72/18/977307218.db2.gz BFIZYPQXHQXJNF-CHWSQXEVSA-N 1 0 367.421 2.662 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cccc4c3NCCC4)CC2)cn1 ZINC000893939095 977607751 /nfs/dbraw/zinc/60/77/51/977607751.db2.gz HDAHYYLBCXLYGM-UHFFFAOYSA-N 1 0 353.426 2.670 20 5 FFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CCCN3CCc4ccccc4C3)C2)c1 ZINC000876914545 1014417698 /nfs/dbraw/zinc/41/76/98/1014417698.db2.gz RTGZXYPNFQCQGK-UHFFFAOYSA-N 1 0 355.442 2.533 20 5 FFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CCc3nc(-c4ccccn4)cs3)C2)c1 ZINC000877150722 1014491180 /nfs/dbraw/zinc/49/11/80/1014491180.db2.gz AOIVIFUFBAQDPK-UHFFFAOYSA-N 1 0 370.438 2.846 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N3C4CCC3(C[NH3+])CC4)cc2[N+](=O)[O-])CC1 ZINC000877192520 1014505053 /nfs/dbraw/zinc/50/50/53/1014505053.db2.gz NKWBAOPKYWEILR-UHFFFAOYSA-N 1 0 372.469 2.927 20 5 FFBDRO Cc1cc(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)cc(N2CCCC2)n1 ZINC000877539254 1014618166 /nfs/dbraw/zinc/61/81/66/1014618166.db2.gz MBBSRVLLEAOLMJ-UHFFFAOYSA-N 1 0 356.430 2.588 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CC[C@@H]2CCC3(CCOCC3)CO2)cc1 ZINC000905474881 980442143 /nfs/dbraw/zinc/44/21/43/980442143.db2.gz WPGMENAVMHPDQV-ZWKOTPCHSA-N 1 0 364.442 2.584 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CC[C@H]2OCCc3ccccc32)c1 ZINC000905627334 980475340 /nfs/dbraw/zinc/47/53/40/980475340.db2.gz YYPCPVQSSJQSLU-YLJYHZDGSA-N 1 0 372.421 2.628 20 5 FFBDRO Cn1nccc1[C@@H]1CCCN1Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000905734378 980502080 /nfs/dbraw/zinc/50/20/80/980502080.db2.gz CPWVBYMIHVMUCR-SFHVURJKSA-N 1 0 352.398 2.986 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H](C3CCC3)[C@H]3CCOC3)CC2)cn1 ZINC000877710536 1014695959 /nfs/dbraw/zinc/69/59/59/1014695959.db2.gz QMJMIYGSVJHJKV-HNAYVOBHSA-N 1 0 360.458 2.753 20 5 FFBDRO COc1cc(C[NH2+][C@@H]2CCN(C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000729681678 981284496 /nfs/dbraw/zinc/28/44/96/981284496.db2.gz HZVOAOXCBJQAIZ-QGZVFWFLSA-N 1 0 371.437 2.976 20 5 FFBDRO COc1ccc(OC)c([C@@H](O)[C@@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000877832350 1014747912 /nfs/dbraw/zinc/74/79/12/1014747912.db2.gz KMEUFSZPGREKQE-YJYMSZOUSA-N 1 0 360.410 2.866 20 5 FFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@]1(c2cnn(C)c2)CCCO1 ZINC000898056004 982602368 /nfs/dbraw/zinc/60/23/68/982602368.db2.gz AYUPOFCTDMXEDL-BEFAXECRSA-N 1 0 358.442 2.945 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](Cc1ccccc1)C[C@H](O)c1ccco1 ZINC000878178678 1014902093 /nfs/dbraw/zinc/90/20/93/1014902093.db2.gz OMRIJYRDNNOXCE-KRWDZBQOSA-N 1 0 370.409 2.929 20 5 FFBDRO O=C([C@@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000912000196 983937085 /nfs/dbraw/zinc/93/70/85/983937085.db2.gz CSQLRRVQGVNGRN-IKGGRYGDSA-N 1 0 372.469 2.554 20 5 FFBDRO CC(C)(C)CC[NH+]1CCN(Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000055035440 984315067 /nfs/dbraw/zinc/31/50/67/984315067.db2.gz CYVVYQXWFUOKPE-UHFFFAOYSA-N 1 0 372.473 2.865 20 5 FFBDRO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)CCc1ccccn1 ZINC000764322422 984431610 /nfs/dbraw/zinc/43/16/10/984431610.db2.gz COLLPOHOOOYNJJ-UHFFFAOYSA-N 1 0 372.425 2.892 20 5 FFBDRO C[N@@H+]1CCCN(c2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2)CC1 ZINC000046403943 984675804 /nfs/dbraw/zinc/67/58/04/984675804.db2.gz OAGMRYYOBPNWBV-UHFFFAOYSA-N 1 0 354.410 2.989 20 5 FFBDRO O=[N+]([O-])c1ccc2cnn(CN3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)c2c1 ZINC000158032736 984744905 /nfs/dbraw/zinc/74/49/05/984744905.db2.gz RHQVSPLPRGBJER-CRAIPNDOSA-N 1 0 355.442 2.851 20 5 FFBDRO C[C@@H](NCc1cn(C)nc1[N+](=O)[O-])c1ccc(N2CCCCC2=O)cc1 ZINC000878631938 1015142043 /nfs/dbraw/zinc/14/20/43/1015142043.db2.gz BLQYXERNUJHQCW-CYBMUJFWSA-N 1 0 357.414 2.696 20 5 FFBDRO COc1cc(CC[NH2+]C[C@@H](O)c2ccccc2F)c([N+](=O)[O-])cc1OC ZINC000914580286 987799040 /nfs/dbraw/zinc/79/90/40/987799040.db2.gz JFTBSVLVEPZDLF-MRXNPFEDSA-N 1 0 364.373 2.617 20 5 FFBDRO COc1cccc([C@@H](O)C2CC[NH+](CCn3c(C)ncc3[N+](=O)[O-])CC2)c1 ZINC000879065442 1015348115 /nfs/dbraw/zinc/34/81/15/1015348115.db2.gz WGLXOKMHIJXMIG-IBGZPJMESA-N 1 0 374.441 2.554 20 5 FFBDRO O=C(c1cc2ccccc2c2cccnc12)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000673514236 988433680 /nfs/dbraw/zinc/43/36/80/988433680.db2.gz LVZDMHZMZZYRKR-IAGOWNOFSA-N 1 0 361.445 2.669 20 5 FFBDRO O=C(CC[N@H+]1CC[C@H](O)[C@@H]2CCCC[C@@H]21)Nc1cc([N+](=O)[O-])ccc1F ZINC000879419994 1015523010 /nfs/dbraw/zinc/52/30/10/1015523010.db2.gz RGIZYICYQZNXON-COXVUDFISA-N 1 0 365.405 2.688 20 5 FFBDRO CC[N@H+](CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CCCC1 ZINC000917125088 990145735 /nfs/dbraw/zinc/14/57/35/990145735.db2.gz MUHOGKBNXCWXRT-UHFFFAOYSA-N 1 0 360.458 2.508 20 5 FFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(CC[N@H+](CCC3=CCCCC3)C2)CC1 ZINC001035186661 990409940 /nfs/dbraw/zinc/40/99/40/990409940.db2.gz IRRKNRAXUPLDPX-QZTJIDSGSA-N 1 0 361.486 2.857 20 5 FFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(C[NH+](CCC3CCCCCC3)C2)CC1 ZINC001035704596 990528305 /nfs/dbraw/zinc/52/83/05/990528305.db2.gz SMOAGSPGCKNOJC-QZTJIDSGSA-N 1 0 363.502 2.937 20 5 FFBDRO Cc1ccc([C@@H](O)C[NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000130674998 990709814 /nfs/dbraw/zinc/70/98/14/990709814.db2.gz YUIDTYAUVHMGNX-KDOFPFPSSA-N 1 0 357.410 2.944 20 5 FFBDRO COc1cccc(C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)c1[N+](=O)[O-] ZINC000195335748 990852243 /nfs/dbraw/zinc/85/22/43/990852243.db2.gz ZMEPVQLSAMGHKY-HNNXBMFYSA-N 1 0 361.373 2.775 20 5 FFBDRO C[C@H]1CCC[C@@](CNC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)([NH+](C)C)C1 ZINC000920461003 990853418 /nfs/dbraw/zinc/85/34/18/990853418.db2.gz RRLGQNYTXWNQME-IFXJQAMLSA-N 1 0 373.457 2.571 20 5 FFBDRO Cc1c(C(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000068084591 991331647 /nfs/dbraw/zinc/33/16/47/991331647.db2.gz ZUIGOERPKCBCHM-RYUDHWBXSA-N 1 0 364.402 2.662 20 5 FFBDRO C[N@@H+](Cc1ccc2cc[nH]c2c1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000879725282 1015654092 /nfs/dbraw/zinc/65/40/92/1015654092.db2.gz XUEGNDGXMJUWFQ-INIZCTEOSA-N 1 0 355.394 2.948 20 5 FFBDRO Cc1ccc(CC[NH2+]CC2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCCCC2)cc1 ZINC001485451724 991944555 /nfs/dbraw/zinc/94/45/55/991944555.db2.gz ZAOROJFKILSXMK-QZTJIDSGSA-N 1 0 359.470 2.611 20 5 FFBDRO COc1cc(CN2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)c([N+](=O)[O-])cc1OC(F)F ZINC000880133370 1015764168 /nfs/dbraw/zinc/76/41/68/1015764168.db2.gz SXMQCEWTGSBQJW-OLZOCXBDSA-N 1 0 371.384 2.873 20 5 FFBDRO Cc1c([N+](=O)[O-])cc(C(=O)NCCC[N@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000072706090 993273348 /nfs/dbraw/zinc/27/33/48/993273348.db2.gz IPSIBJNFBZZVCQ-GFCCVEGCSA-N 1 0 364.402 2.806 20 5 FFBDRO CC(C)(C)OCCC[NH+]1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000880412086 1015827883 /nfs/dbraw/zinc/82/78/83/1015827883.db2.gz MWNJVWKZOTUECX-UHFFFAOYSA-N 1 0 365.474 2.796 20 5 FFBDRO CC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H](CO)c1ccccc1 ZINC000880460712 1015841087 /nfs/dbraw/zinc/84/10/87/1015841087.db2.gz BTBDACUXNLGQKU-GOSISDBHSA-N 1 0 357.410 2.979 20 5 FFBDRO CC[C@H]([NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)[C@H]1CCCOC1 ZINC000880468100 1015843312 /nfs/dbraw/zinc/84/33/12/1015843312.db2.gz BSCJHVXKAVNSEZ-ZFWWWQNUSA-N 1 0 363.414 2.688 20 5 FFBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@@H](c2ccccc2)[C@H](O)c2ccccc2)n1 ZINC000808788348 994263584 /nfs/dbraw/zinc/26/35/84/994263584.db2.gz LTFGQKWTKDKVSU-RBUKOAKNSA-N 1 0 352.394 2.856 20 5 FFBDRO Cc1cccnc1OC1CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000809993756 994661471 /nfs/dbraw/zinc/66/14/71/994661471.db2.gz QOBPRYYYCKCUIP-GOSISDBHSA-N 1 0 357.410 2.875 20 5 FFBDRO O=C(NC1CC1)OC[C@H]1CCCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000810040482 994687754 /nfs/dbraw/zinc/68/77/54/994687754.db2.gz RTFNZHYNVNDJAP-MRXNPFEDSA-N 1 0 363.414 2.717 20 5 FFBDRO [NH3+]CCN(c1cc([N+](=O)[O-])c2nccn2c1)C12CC3CC(CC(C3)C1)C2 ZINC001170626659 995039208 /nfs/dbraw/zinc/03/92/08/995039208.db2.gz JAEHEJXMEIYHOJ-UHFFFAOYSA-N 1 0 355.442 2.976 20 5 FFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N(CC[NH2+]CC1CCC1)Cc1cccc(Cl)c1 ZINC001133395861 995497307 /nfs/dbraw/zinc/49/73/07/995497307.db2.gz FQRPFCLQBINTFU-IAGOWNOFSA-N 1 0 365.861 2.724 20 5 FFBDRO CC(C)=CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001133396252 995498360 /nfs/dbraw/zinc/49/83/60/995498360.db2.gz YWROKSMZELGLKT-IAGOWNOFSA-N 1 0 365.861 2.890 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ncn(C[N@@H+]3CCC[C@H]([C@H]4CCOC4)C3)n2)cc1 ZINC000747832280 995595351 /nfs/dbraw/zinc/59/53/51/995595351.db2.gz PAFWYKOXLZZKJV-HOTGVXAUSA-N 1 0 357.414 2.559 20 5 FFBDRO O=C(NCc1ccc2c(c1)C[N@@H+](CCc1cccs1)C2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001054265000 1015996116 /nfs/dbraw/zinc/99/61/16/1015996116.db2.gz ZEMWQZQSSUQMTN-QZTJIDSGSA-N 1 0 371.462 2.588 20 5 FFBDRO CN1Cc2ccccc2[C@H]1CNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000826725021 1016033776 /nfs/dbraw/zinc/03/37/76/1016033776.db2.gz UEQRJKVFYUDTQV-QGZVFWFLSA-N 1 0 355.394 2.667 20 5 FFBDRO C[C@@H](CCNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1ccccc1 ZINC000826747869 1016058558 /nfs/dbraw/zinc/05/85/58/1016058558.db2.gz YRUXAFBNFUSDOK-KXBFYZLASA-N 1 0 371.437 2.655 20 5 FFBDRO C[N@@H+]1C[C@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)[C@@H](c2ccccc2)C1 ZINC001137280139 1016081310 /nfs/dbraw/zinc/08/13/10/1016081310.db2.gz KQVKJEXRFFIUTB-UXHICEINSA-N 1 0 365.433 2.825 20 5 FFBDRO O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCN(CCc2ccncc2)CC1 ZINC000825105046 997199019 /nfs/dbraw/zinc/19/90/19/997199019.db2.gz HAUZXSVYBYBOAI-UHFFFAOYSA-N 1 0 374.828 2.644 20 5 FFBDRO Cc1c([N+](=O)[O-])cc(C(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000730841965 997514397 /nfs/dbraw/zinc/51/43/97/997514397.db2.gz UMGURQGRIHBDEO-TXEJJXNPSA-N 1 0 364.402 2.804 20 5 FFBDRO CN(C[C@@](C)(O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000844269023 997754046 /nfs/dbraw/zinc/75/40/46/997754046.db2.gz QYXBWTLJVCPQIE-SFHVURJKSA-N 1 0 367.446 2.645 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@H]2CCc3ccccc3OC2)c1 ZINC000844322406 997807074 /nfs/dbraw/zinc/80/70/74/997807074.db2.gz CGVJSMUZEVDXQO-INIZCTEOSA-N 1 0 356.378 2.865 20 5 FFBDRO O=C(NC1(C2CC[NH+](CCCC3CCCC3)CC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001000152220 1016246573 /nfs/dbraw/zinc/24/65/73/1016246573.db2.gz ALIGUSUWIGRNAO-QZTJIDSGSA-N 1 0 363.502 2.983 20 5 FFBDRO NC(=O)C1(c2ccccc2)CC[NH+](Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000734486205 999296218 /nfs/dbraw/zinc/29/62/18/999296218.db2.gz DAIDUALXVKCGNJ-UHFFFAOYSA-N 1 0 357.385 2.753 20 5 FFBDRO CC(C)Cc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cc1 ZINC001086084073 999754928 /nfs/dbraw/zinc/75/49/28/999754928.db2.gz BJBKHANOGQLGHV-FCGDIQPGSA-N 1 0 359.470 2.535 20 5 FFBDRO C[C@H]1CCC[N@@H+]1CCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000742242107 999765971 /nfs/dbraw/zinc/76/59/71/999765971.db2.gz SDRSDQZGHJHEDT-HNNXBMFYSA-N 1 0 360.458 2.799 20 5 FFBDRO Cc1ccc(N2CCC[C@H]([NH2+]C[C@H](O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000743463891 999820087 /nfs/dbraw/zinc/82/00/87/999820087.db2.gz YUGJAAOREQJHGE-OALUTQOASA-N 1 0 369.421 2.722 20 5 FFBDRO CC[NH+](CC)Cc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2N)cc1 ZINC000746295843 999957785 /nfs/dbraw/zinc/95/77/85/999957785.db2.gz HLEIEYVTWNMLHX-UHFFFAOYSA-N 1 0 356.426 2.949 20 5 FFBDRO [NH3+][C@@H]1CCN(C(F)(F)c2cc(-c3cccc([N+](=O)[O-])c3)nnc2Cl)C1 ZINC001156232238 1000006976 /nfs/dbraw/zinc/00/69/76/1000006976.db2.gz SPWIYJYZLXOEBK-SNVBAGLBSA-N 1 0 369.759 2.788 20 5 FFBDRO CC(C)(C)OC(=O)Nc1cccc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)n1 ZINC001169001286 1000014422 /nfs/dbraw/zinc/01/44/22/1000014422.db2.gz FIAKSYCZSYGDBE-CHWSQXEVSA-N 1 0 350.419 2.964 20 5 FFBDRO [NH3+]CCCc1nc2ccc(Cl)cc2n1-c1cc([N+](=O)[O-])c2nncn2c1 ZINC001168999975 1000014428 /nfs/dbraw/zinc/01/44/28/1000014428.db2.gz RGIAVNPVQGNKNA-UHFFFAOYSA-N 1 0 371.788 2.521 20 5 FFBDRO CC(C)[C@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC001169008240 1000015084 /nfs/dbraw/zinc/01/50/84/1000015084.db2.gz SHJREKUSQKJLEE-BPUTZDHNSA-N 1 0 355.479 2.913 20 5 FFBDRO CC(C)(C)OC(=O)N1CC[C@H]2CC[N@@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@H]21 ZINC001169010307 1000015266 /nfs/dbraw/zinc/01/52/66/1000015266.db2.gz COSOLORFHOAUDC-LVQVYYBASA-N 1 0 353.463 2.763 20 5 FFBDRO CC(C)(C)OC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169036863 1000016693 /nfs/dbraw/zinc/01/66/93/1000016693.db2.gz QIJDEHQFRWOMBH-QUHHJHJSSA-N 1 0 353.463 2.952 20 5 FFBDRO CN1C(=O)C2(CC[NH+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)[C@H]1c1ccccc1 ZINC001169024853 1000018091 /nfs/dbraw/zinc/01/80/91/1000018091.db2.gz RPOPRYRKWHGSKR-CGTJXYLNSA-N 1 0 357.454 2.727 20 5 FFBDRO CCn1cc(C[N@H+](Cc2c(C)nn(C)c2C)[C@@H]2CC[C@H](C[N+](=O)[O-])C2)cn1 ZINC001169026336 1000018284 /nfs/dbraw/zinc/01/82/84/1000018284.db2.gz KYJPNWYJRCLXOU-FUHWJXTLSA-N 1 0 374.489 2.701 20 5 FFBDRO C[C@H]([NH2+]C[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000846928499 1000480329 /nfs/dbraw/zinc/48/03/29/1000480329.db2.gz MCVLQODVVKXEBS-UGSOOPFHSA-N 1 0 365.430 2.617 20 5 FFBDRO O=C(NCC1=CC[N@H+](Cc2ccc(C(F)F)cc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001000674045 1016422641 /nfs/dbraw/zinc/42/26/41/1016422641.db2.gz LJJCQRKDYRSZCK-HZPDHXFCSA-N 1 0 365.380 2.538 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)C[C@H]1C ZINC001147743444 1000969037 /nfs/dbraw/zinc/96/90/37/1000969037.db2.gz WHNFEBQMYNFJOJ-OLZOCXBDSA-N 1 0 366.437 2.745 20 5 FFBDRO C[NH+](C)[C@H](CNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1)c1ccccc1 ZINC000771499549 1001130004 /nfs/dbraw/zinc/13/00/04/1001130004.db2.gz AQRBMINGQGTCQG-OAHLLOKOSA-N 1 0 371.422 2.632 20 5 FFBDRO CC[C@H]1CC[C@@H](C)[N@@H+]1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000772357145 1001361649 /nfs/dbraw/zinc/36/16/49/1001361649.db2.gz SPXNZDZWEBEADB-CVEARBPZSA-N 1 0 360.458 2.506 20 5 FFBDRO CN(C)c1ccc(NC(=O)CC[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000790124971 1002294399 /nfs/dbraw/zinc/29/43/99/1002294399.db2.gz SEAPELLLOZDZEH-UHFFFAOYSA-N 1 0 356.426 2.822 20 5 FFBDRO O=[N+]([O-])c1cc(-c2nc(-c3ccn4c[nH+]cc4c3)no2)cc([N+](=O)[O-])c1 ZINC000790512022 1002400729 /nfs/dbraw/zinc/40/07/29/1002400729.db2.gz HUFMXSKTKLQDCO-UHFFFAOYSA-N 1 0 352.266 2.868 20 5 FFBDRO Cc1c([N+](=O)[O-])cc(C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)cc1[N+](=O)[O-] ZINC000791058118 1002564457 /nfs/dbraw/zinc/56/44/57/1002564457.db2.gz ARQYOVLDJWLOLX-HNNXBMFYSA-N 1 0 364.402 2.662 20 5 FFBDRO O=C(OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000792235301 1002950293 /nfs/dbraw/zinc/95/02/93/1002950293.db2.gz QEBPUZAXFHLAFG-HNNXBMFYSA-N 1 0 363.370 2.953 20 5 FFBDRO COc1ccc(C[C@H](C)n2nnc(-c3cccc(C[NH3+])c3)n2)c([N+](=O)[O-])c1 ZINC001170304687 1003093571 /nfs/dbraw/zinc/09/35/71/1003093571.db2.gz FPJQSMUNTUULMX-LBPRGKRZSA-N 1 0 368.397 2.519 20 5 FFBDRO COC(=O)CC1CC(C[NH2+][C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170328840 1003114305 /nfs/dbraw/zinc/11/43/05/1003114305.db2.gz WEJBFLIXGASFGC-IYXRBSQSSA-N 1 0 350.415 2.713 20 5 FFBDRO COC(=O)c1ccc(C[NH2+][C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])cn1 ZINC001170327985 1003114459 /nfs/dbraw/zinc/11/44/59/1003114459.db2.gz SZJOACGAWDPRFE-LBPRGKRZSA-N 1 0 359.382 2.506 20 5 FFBDRO COc1ccc(C[C@H](C)[N@@H+]2C[C@H](CO)[C@@H](C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC001170329359 1003115018 /nfs/dbraw/zinc/11/50/18/1003115018.db2.gz PJSZDRLXKYWKEN-SUHUHFCYSA-N 1 0 362.348 2.637 20 5 FFBDRO CCOC(=O)C1CC[NH+]([C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC001170336513 1003117854 /nfs/dbraw/zinc/11/78/54/1003117854.db2.gz YIIVYIRECQZDNK-ZDUSSCGKSA-N 1 0 350.415 2.810 20 5 FFBDRO COc1ccc(C[C@@H](C)[NH+]2CCC(Oc3cnccn3)CC2)c([N+](=O)[O-])c1 ZINC001170353171 1003121751 /nfs/dbraw/zinc/12/17/51/1003121751.db2.gz XEGJATLOQVKOTJ-CQSZACIVSA-N 1 0 372.425 2.868 20 5 FFBDRO COc1ccc(C[C@H](C)[N@@H+]2CC[C@H](Oc3nccnc3C)C2)c([N+](=O)[O-])c1 ZINC001170354836 1003123297 /nfs/dbraw/zinc/12/32/97/1003123297.db2.gz QBKAVSZTJNUSBE-GUYCJALGSA-N 1 0 372.425 2.786 20 5 FFBDRO COC(=O)[C@@H]1CCC[N@@H+]([C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC001170356038 1003123429 /nfs/dbraw/zinc/12/34/29/1003123429.db2.gz UTDANAVADDMQJE-ZIAGYGMSSA-N 1 0 350.415 2.810 20 5 FFBDRO COC(=O)[C@H](Cc1ccccc1)[C@H](C)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000792931972 1003239010 /nfs/dbraw/zinc/23/90/10/1003239010.db2.gz BJKAXMWUHTZPAY-GDIGMMSISA-N 1 0 372.421 2.638 20 5 FFBDRO Cc1nn(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000772829091 1003311267 /nfs/dbraw/zinc/31/12/67/1003311267.db2.gz RESIOOOLWSYLKI-KSSFIOAISA-N 1 0 370.457 2.554 20 5 FFBDRO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000804812901 1003859489 /nfs/dbraw/zinc/85/94/89/1003859489.db2.gz MKQZDQKRGJVWIW-JSGCOSHPSA-N 1 0 365.405 2.974 20 5 FFBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH+]1CCC(c2ncco2)CC1 ZINC001196790831 1003956424 /nfs/dbraw/zinc/95/64/24/1003956424.db2.gz ZONJOZDZRRUOAD-UHFFFAOYSA-N 1 0 372.381 2.760 20 5 FFBDRO CCN(C)C(=O)OC[C@@H]1CCCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000805762634 1004136860 /nfs/dbraw/zinc/13/68/60/1004136860.db2.gz LSFOMMDFRVXPJJ-IRXDYDNUSA-N 1 0 365.430 2.571 20 5 FFBDRO C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(C[N@@H+]2CCC[C@@H]2C2CCC2)C1=O ZINC000102886117 1004209786 /nfs/dbraw/zinc/20/97/86/1004209786.db2.gz LHSOAHUWIQPKPZ-APWZRJJASA-N 1 0 372.425 2.584 20 5 FFBDRO Cc1ccc([C@@H](CNC(=O)c2cc(C)cc([N+](=O)[O-])c2N)[NH+](C)C)cc1 ZINC000104149078 1004436137 /nfs/dbraw/zinc/43/61/37/1004436137.db2.gz OASLMMVGLPHHMT-QGZVFWFLSA-N 1 0 356.426 2.827 20 5 FFBDRO CC(=O)c1ccc([N+](=O)[O-])cc1NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000808014203 1004738543 /nfs/dbraw/zinc/73/85/43/1004738543.db2.gz GIOHPHQYWUMUPY-GOSISDBHSA-N 1 0 369.421 2.976 20 5 FFBDRO CCOC(=O)CC[N@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C(C)C ZINC001195621919 1005001236 /nfs/dbraw/zinc/00/12/36/1005001236.db2.gz FMGVXENHLDDTSF-UHFFFAOYSA-N 1 0 362.386 2.808 20 5 FFBDRO Cc1ccccc1C[NH+]1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776277117 1005337134 /nfs/dbraw/zinc/33/71/34/1005337134.db2.gz PHLJXLOTMPPHIM-FQEVSTJZSA-N 1 0 355.438 2.754 20 5 FFBDRO Cc1ccc(F)cc1C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001050326297 1016971367 /nfs/dbraw/zinc/97/13/67/1016971367.db2.gz WMIQQMGOUGTDGU-BNEJOLLZSA-N 1 0 363.433 2.564 20 5 FFBDRO COc1ccc(N2C[C@H]([NH2+][C@H](C)c3ccc(N)c([N+](=O)[O-])c3)CC2=O)cc1 ZINC000850516888 1005819873 /nfs/dbraw/zinc/81/98/73/1005819873.db2.gz ZBZSZKBEZWDAFM-TZMCWYRMSA-N 1 0 370.409 2.642 20 5 FFBDRO C[C@@H]1CN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCN1C(=O)OC(C)(C)C ZINC000776591381 1005985440 /nfs/dbraw/zinc/98/54/40/1005985440.db2.gz LTYLUEWPJKEXFO-CJNGLKHVSA-N 1 0 365.430 2.569 20 5 FFBDRO O=[N+]([O-])c1ccc(CN2C[C@@H]3[C@H](C2)OCCN3Cc2ccccc2)cc1F ZINC000852339513 1005985901 /nfs/dbraw/zinc/98/59/01/1005985901.db2.gz REFQKTIVIGADIU-UXHICEINSA-N 1 0 371.412 2.819 20 5 FFBDRO O=[N+]([O-])c1ccc(NC[C@H]2CSCC[NH2+]2)nc1OCc1ccccc1 ZINC001187496559 1006117744 /nfs/dbraw/zinc/11/77/44/1006117744.db2.gz HGRYBYKWGDQERY-AWEZNQCLSA-N 1 0 360.439 2.686 20 5 FFBDRO Cc1cc(N2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001187765777 1006240827 /nfs/dbraw/zinc/24/08/27/1006240827.db2.gz RHFMHXITGBEHCX-BEFAXECRSA-N 1 0 353.426 2.748 20 5 FFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CC[NH+](Cc1ccccc1C1CC1)CC2 ZINC001050517365 1017034873 /nfs/dbraw/zinc/03/48/73/1017034873.db2.gz QETMRPJJHXFWMD-RTBURBONSA-N 1 0 369.465 2.654 20 5 FFBDRO C[NH+](C)C1CCN(c2ccc(Nc3cc[nH]c(=O)c3[N+](=O)[O-])cc2)CC1 ZINC000853469105 1006400044 /nfs/dbraw/zinc/40/00/44/1006400044.db2.gz DWMRBZOPIRGQMD-UHFFFAOYSA-N 1 0 357.414 2.969 20 5 FFBDRO O=[N+]([O-])c1cn(CN2CCC[C@H]2C[NH+]2CCCCC2)nc1-c1ccccn1 ZINC000853496713 1006413515 /nfs/dbraw/zinc/41/35/15/1006413515.db2.gz JQXAAJCGPZQZPO-INIZCTEOSA-N 1 0 370.457 2.761 20 5 FFBDRO CCO[C@@H]1C[C@@H](N(C)Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)C1(C)C ZINC000853498944 1006415713 /nfs/dbraw/zinc/41/57/13/1006415713.db2.gz SKLCGHZBNOFWCB-HZPDHXFCSA-N 1 0 359.430 2.946 20 5 FFBDRO O=[N+]([O-])c1c2cccnc2ccc1N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000882724960 1006490213 /nfs/dbraw/zinc/49/02/13/1006490213.db2.gz GXPOCMPKZRSVDZ-OAHLLOKOSA-N 1 0 356.426 2.880 20 5 FFBDRO O=[N+]([O-])c1ccc2ccnc(N3CCC[C@H]([NH2+]C4CCOCC4)C3)c2c1 ZINC000882727526 1006491866 /nfs/dbraw/zinc/49/18/66/1006491866.db2.gz YRPYUSZHKFTGTN-INIZCTEOSA-N 1 0 356.426 2.880 20 5 FFBDRO CC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000853796094 1006538949 /nfs/dbraw/zinc/53/89/49/1006538949.db2.gz RFJKCVQRMUTFTN-GOSISDBHSA-N 1 0 369.421 2.976 20 5 FFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@]2(CCN(c3ccc([N+](=O)[O-])nc3)C2)O1 ZINC000882980385 1006584828 /nfs/dbraw/zinc/58/48/28/1006584828.db2.gz IGULZHSCFKCICZ-UZLBHIALSA-N 1 0 368.437 2.860 20 5 FFBDRO C[C@H]([NH2+]CCCN1C(=O)c2ccccc2C1=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815625431 1006717142 /nfs/dbraw/zinc/71/71/42/1006717142.db2.gz DMIYLBNBRGCDSV-LBPRGKRZSA-N 1 0 368.393 2.514 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@H](CO)Cc3ccoc3)CC2)cc1 ZINC000883278284 1006727672 /nfs/dbraw/zinc/72/76/72/1006727672.db2.gz PPNPENFHUKGWNB-MRXNPFEDSA-N 1 0 359.426 2.597 20 5 FFBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000854333496 1006781823 /nfs/dbraw/zinc/78/18/23/1006781823.db2.gz RIPKODUTLYJISL-ZPICJPFVSA-N 1 0 373.453 2.711 20 5 FFBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1OC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000816452136 1007061708 /nfs/dbraw/zinc/06/17/08/1007061708.db2.gz WQYQFXVNXJIXTJ-YJBOKZPZSA-N 1 0 372.425 2.635 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000855166197 1007148504 /nfs/dbraw/zinc/14/85/04/1007148504.db2.gz FHACLQSDWVSFDC-HNNXBMFYSA-N 1 0 360.458 2.798 20 5 FFBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000855202534 1007172457 /nfs/dbraw/zinc/17/24/57/1007172457.db2.gz VZTXYFHDVNFGJF-ZZXKWVIFSA-N 1 0 373.453 2.615 20 5 FFBDRO CCOC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000776830041 1007543730 /nfs/dbraw/zinc/54/37/30/1007543730.db2.gz YUOJRYSVDVBFOB-UKRRQHHQSA-N 1 0 365.430 2.950 20 5 FFBDRO CCc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2N)[NH+](C)C)cc1 ZINC001135928786 1007611985 /nfs/dbraw/zinc/61/19/85/1007611985.db2.gz DJYDQVGHXUCUOS-SFHVURJKSA-N 1 0 356.426 2.772 20 5 FFBDRO CCC[N@H+](CC)C[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC001190867672 1007820482 /nfs/dbraw/zinc/82/04/82/1007820482.db2.gz LZTJRNFJTZNSIT-CQSZACIVSA-N 1 0 357.476 2.610 20 5 FFBDRO COc1cc(C(=O)N2CCCc3cc(C[NH3+])ccc32)c([N+](=O)[O-])cc1OC ZINC000818551494 1007939512 /nfs/dbraw/zinc/93/95/12/1007939512.db2.gz BKYUPFKMRKSEGW-UHFFFAOYSA-N 1 0 371.393 2.664 20 5 FFBDRO COc1ccccc1N1CC[C@@H](C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000818990234 1008002737 /nfs/dbraw/zinc/00/27/37/1008002737.db2.gz VCBNKVPSPANYTC-HNAYVOBHSA-N 1 0 371.437 2.753 20 5 FFBDRO O=C(CCC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)N1Cc2ccccc2C1 ZINC000819052955 1008019425 /nfs/dbraw/zinc/01/94/25/1008019425.db2.gz GUXCWDCLVXAVEI-IBGZPJMESA-N 1 0 369.421 2.540 20 5 FFBDRO CC(C)[C@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)NC(=O)OC(C)(C)C ZINC000819077715 1008039049 /nfs/dbraw/zinc/03/90/49/1008039049.db2.gz NTKFKTCPTRFSST-JKSUJKDBSA-N 1 0 367.446 2.767 20 5 FFBDRO COc1cc2c(cc1C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)O[C@H](C)C2 ZINC000819183421 1008060249 /nfs/dbraw/zinc/06/02/49/1008060249.db2.gz WPIKAUPHZHLRAE-SJKOYZFVSA-N 1 0 358.394 2.750 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@H]3CCCN3CC(F)F)CC2)cc1 ZINC000858479545 1008366370 /nfs/dbraw/zinc/36/63/70/1008366370.db2.gz UZUGLXPOJKDCLX-QGZVFWFLSA-N 1 0 368.428 2.883 20 5 FFBDRO C[C@@H]([NH2+]CC1(OCCO)CCC(F)(F)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000858484026 1008366989 /nfs/dbraw/zinc/36/69/89/1008366989.db2.gz GYORKEYGTRQNGR-GFCCVEGCSA-N 1 0 373.400 2.785 20 5 FFBDRO CCOC(=O)[C@H]1CCC[C@@H]1Nc1ccc([N+](=O)[O-])c(OCC[NH+](C)C)c1 ZINC001170959768 1008427604 /nfs/dbraw/zinc/42/76/04/1008427604.db2.gz YPFHPSCZGCGKQX-GJZGRUSLSA-N 1 0 365.430 2.679 20 5 FFBDRO COCCC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])cc3ccccc32)CC1 ZINC000859114720 1008477486 /nfs/dbraw/zinc/47/74/86/1008477486.db2.gz KZPCWBFSJBHYDN-UHFFFAOYSA-N 1 0 371.437 2.979 20 5 FFBDRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2cc([N+](=O)[O-])cc3ccccc32)CC1 ZINC000859356384 1008505988 /nfs/dbraw/zinc/50/59/88/1008505988.db2.gz XMPYUTVOEVLUEF-HNNXBMFYSA-N 1 0 370.453 2.504 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])c(Cl)cc1N[C@H]1C[C@H]2CC[N@H+](C1)[C@H]2C ZINC001170979469 1008536753 /nfs/dbraw/zinc/53/67/53/1008536753.db2.gz JSVRUIZREVKXCN-AXFHLTTASA-N 1 0 353.806 2.929 20 5 FFBDRO C[C@@H]1C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC[C@H]1C(=O)OC(C)(C)C ZINC000859611385 1008587260 /nfs/dbraw/zinc/58/72/60/1008587260.db2.gz CVIQYZPVHPUPLL-KBRIMQKVSA-N 1 0 364.442 2.928 20 5 FFBDRO O=[N+]([O-])c1ccc(Cc2noc(C3(c4ccccc4)CC[NH2+]CC3)n2)nc1 ZINC000822863404 1008802675 /nfs/dbraw/zinc/80/26/75/1008802675.db2.gz RKCUCKZZVYVGPZ-UHFFFAOYSA-N 1 0 365.393 2.633 20 5 FFBDRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000887130370 1009043509 /nfs/dbraw/zinc/04/35/09/1009043509.db2.gz CCMVEBGTIQMFHB-CQSZACIVSA-N 1 0 370.409 2.567 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)c1C ZINC000890277741 1009107811 /nfs/dbraw/zinc/10/78/11/1009107811.db2.gz QPJICLBLQXOKPZ-CQSZACIVSA-N 1 0 361.442 2.537 20 5 FFBDRO C[C@@H](CNC(=O)C[N@H+](C)CCc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC001179398486 1009323157 /nfs/dbraw/zinc/32/31/57/1009323157.db2.gz IJIQRRVJCPXMGP-INIZCTEOSA-N 1 0 355.438 2.989 20 5 FFBDRO C[C@H](CNC(=O)C[N@H+](C)CCc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC001179398487 1009323583 /nfs/dbraw/zinc/32/35/83/1009323583.db2.gz IJIQRRVJCPXMGP-MRXNPFEDSA-N 1 0 355.438 2.989 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134873217 1009497201 /nfs/dbraw/zinc/49/72/01/1009497201.db2.gz AEJMGEZJPBMYLI-BEFAXECRSA-N 1 0 372.469 2.790 20 5 FFBDRO C[C@@H]1Cc2cc(C[N@@H+]3CC[C@@H](Nc4ccc([N+](=O)[O-])cn4)C3)ccc2O1 ZINC001179937397 1009498145 /nfs/dbraw/zinc/49/81/45/1009498145.db2.gz LWLWOWHNJGRQDE-CZUORRHYSA-N 1 0 354.410 3.000 20 5 FFBDRO Cc1cc(C(=O)Nc2ccc(OCC[NH+](C)C)cc2)c(N)c([N+](=O)[O-])c1 ZINC000118494275 1009528060 /nfs/dbraw/zinc/52/80/60/1009528060.db2.gz RVVIRDUKNOGHAS-UHFFFAOYSA-N 1 0 358.398 2.678 20 5 FFBDRO C/C(=C\C(=O)N1CCC(C)([NH+]2CCOCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000862958261 1010057295 /nfs/dbraw/zinc/05/72/95/1010057295.db2.gz CDOVEXYYPDQPDS-FOCLMDBBSA-N 1 0 373.453 2.711 20 5 FFBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCC([NH2+]C2CCC2)CC1 ZINC000889838615 1010147919 /nfs/dbraw/zinc/14/79/19/1010147919.db2.gz LWOQXWQXVIZDDA-UHFFFAOYSA-N 1 0 360.458 2.920 20 5 FFBDRO CCC1([NH+]2CCOCC2)CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000863492917 1010224265 /nfs/dbraw/zinc/22/42/65/1010224265.db2.gz OGQFTXAIJVCUDS-YVMONPNESA-N 1 0 373.453 2.711 20 5 FFBDRO C[C@@H](C(=O)NCCCCc1cc[nH+]c(N)c1)c1ccc([N+](=O)[O-])cc1F ZINC001181959197 1010322672 /nfs/dbraw/zinc/32/26/72/1010322672.db2.gz BSAHZRGFIJPVDX-GFCCVEGCSA-N 1 0 360.389 2.954 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH+]2CCC(Oc3ncccc3F)CC2)cc1 ZINC000773980721 1010399892 /nfs/dbraw/zinc/39/98/92/1010399892.db2.gz NEAZPSORFCMQTM-QGZVFWFLSA-N 1 0 361.373 2.706 20 5 FFBDRO C[NH+](C)[C@@H](CNC(=O)Cc1cccc(F)c1[N+](=O)[O-])Cc1ccccc1 ZINC000864612937 1010527400 /nfs/dbraw/zinc/52/74/00/1010527400.db2.gz XRZLJSCCKRYIKK-MRXNPFEDSA-N 1 0 359.401 2.566 20 5 FFBDRO O=C(Cc1cccc(F)c1[N+](=O)[O-])N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000864630502 1010535012 /nfs/dbraw/zinc/53/50/12/1010535012.db2.gz MZXZTQVXNYGATF-INIZCTEOSA-N 1 0 357.385 2.667 20 5 FFBDRO O=[N+]([O-])c1cc(CO)c(N2CCC([NH2+]Cc3ccccc3)CC2)cc1F ZINC000865848139 1010873562 /nfs/dbraw/zinc/87/35/62/1010873562.db2.gz GMXSBPWAQCPZBN-UHFFFAOYSA-N 1 0 359.401 2.985 20 5 FFBDRO CN(CC[NH+]1CC2(C1)CCOCC2)c1ccnc2ccc([N+](=O)[O-])cc21 ZINC000866257882 1010964132 /nfs/dbraw/zinc/96/41/32/1010964132.db2.gz KIQCIXNIRRZDAJ-UHFFFAOYSA-N 1 0 356.426 2.692 20 5 FFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C1CCN(C[C@H]2CCCO2)CC1 ZINC000866266889 1010965761 /nfs/dbraw/zinc/96/57/61/1010965761.db2.gz UBMZXWNHDVMVLB-KBXCAEBGSA-N 1 0 365.449 2.898 20 5 FFBDRO COc1c[nH+]ccc1N1CCN(C(=S)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000795026616 1011371405 /nfs/dbraw/zinc/37/14/05/1011371405.db2.gz IGEQHYWITMURCZ-UHFFFAOYSA-N 1 0 373.438 2.517 20 5 FFBDRO O=C1Nc2ccccc2C[C@@H]1[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172900662 1012075029 /nfs/dbraw/zinc/07/50/29/1012075029.db2.gz XRVQPUMDUKUVNB-LPHOPBHVSA-N 1 0 351.406 2.995 20 5 FFBDRO O=C(CC[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1)Nc1nccs1 ZINC001172899628 1012075584 /nfs/dbraw/zinc/07/55/84/1012075584.db2.gz BCKKDCWNKUQBRO-AWEZNQCLSA-N 1 0 360.439 2.917 20 5 FFBDRO CN(C)C(=O)N1CCC([NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172900790 1012075888 /nfs/dbraw/zinc/07/58/88/1012075888.db2.gz FIKMDTFVWBHKGY-INIZCTEOSA-N 1 0 360.458 2.578 20 5 FFBDRO Cc1nnc2ccc(C[NH2+][C@@H]3CCc4ccc([N+](=O)[O-])cc4CC3)cn12 ZINC001172907999 1012080945 /nfs/dbraw/zinc/08/09/45/1012080945.db2.gz VXIMUOBGJOFXOY-QGZVFWFLSA-N 1 0 351.410 2.983 20 5 FFBDRO CCOC(=O)[C@H]1C[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCS1 ZINC001172911620 1012122680 /nfs/dbraw/zinc/12/26/80/1012122680.db2.gz DBFRKMKXRPOFFE-NVXWUHKLSA-N 1 0 364.467 2.823 20 5 FFBDRO CC(C)(O)CCN1CC[NH+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172913557 1012125253 /nfs/dbraw/zinc/12/52/53/1012125253.db2.gz RTUFENCQUQZJEV-SFHVURJKSA-N 1 0 361.486 2.621 20 5 FFBDRO C[C@@H]1CN(C2C[NH+]([C@H]3CCc4ccc([N+](=O)[O-])cc4CC3)C2)C[C@H](C)O1 ZINC001172911625 1012126006 /nfs/dbraw/zinc/12/60/06/1012126006.db2.gz DBOKHDLKGFEUDW-DAYGRLMNSA-N 1 0 359.470 2.636 20 5 FFBDRO C[C@H]1COCC[C@@H]1[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173008555 1012176136 /nfs/dbraw/zinc/17/61/36/1012176136.db2.gz BLMDSZWLOLOOID-ZBEGNZNMSA-N 1 0 355.385 2.856 20 5 FFBDRO CCC[C@@H](CCO)[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173008858 1012176624 /nfs/dbraw/zinc/17/66/24/1012176624.db2.gz KRDUNRIYJUASDU-LBPRGKRZSA-N 1 0 357.401 2.983 20 5 FFBDRO C[C@@H]1COCC[C@@H]1[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173008553 1012177131 /nfs/dbraw/zinc/17/71/31/1012177131.db2.gz BLMDSZWLOLOOID-BZNIZROVSA-N 1 0 355.385 2.856 20 5 FFBDRO CN1CCC[C@H]([NH2+]C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)C1 ZINC001173007777 1012177159 /nfs/dbraw/zinc/17/71/59/1012177159.db2.gz AQBAORHGZKLKFL-ZDUSSCGKSA-N 1 0 354.401 2.526 20 5 FFBDRO COC[C@H]1CCC[N@@H+]1C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173010691 1012182303 /nfs/dbraw/zinc/18/23/03/1012182303.db2.gz XUGBYRPAIWGVDV-CYBMUJFWSA-N 1 0 355.385 2.953 20 5 FFBDRO Cc1cc(C[NH3+])nn1C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173012754 1012184231 /nfs/dbraw/zinc/18/42/31/1012184231.db2.gz YUBVIEZRTIYCFJ-UHFFFAOYSA-N 1 0 351.357 2.678 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)n2c(C[NH3+])nc3cnccc32)c1F ZINC001173179556 1012321753 /nfs/dbraw/zinc/32/17/53/1012321753.db2.gz MMTDQGVETJCTHI-JTQLQIEISA-N 1 0 359.361 2.750 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C2(CO)Cc3ccccc3C2)c1F ZINC001173181599 1012323375 /nfs/dbraw/zinc/32/33/75/1012323375.db2.gz GKGCCZHOVSULMU-ZDUSSCGKSA-N 1 0 374.412 2.793 20 5 FFBDRO COC(=O)[C@@H]1CCC[C@H]([NH2+][C@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C1 ZINC001173180010 1012323490 /nfs/dbraw/zinc/32/34/90/1012323490.db2.gz OVOZZBVZDTWTDX-UPJWGTAASA-N 1 0 368.405 2.995 20 5 FFBDRO CCN(CC)C(=O)[C@H](C)[NH2+][C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173180339 1012324664 /nfs/dbraw/zinc/32/46/64/1012324664.db2.gz VOEVIKVDPRUJGX-NEPJUHHUSA-N 1 0 355.410 2.520 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C[C@H](O)c2cccc(O)c2)c1F ZINC001173188882 1012328616 /nfs/dbraw/zinc/32/86/16/1012328616.db2.gz LTJXQUSCERZZIB-ZBEGNZNMSA-N 1 0 364.373 2.702 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+](C)[C@H]2CCCN(C(C)=O)C2)c1F ZINC001173191460 1012333171 /nfs/dbraw/zinc/33/31/71/1012333171.db2.gz FKBXUVGSJHVORN-JSGCOSHPSA-N 1 0 367.421 2.616 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CC2CCN(C(C)=O)CC2)c1F ZINC001173190608 1012333289 /nfs/dbraw/zinc/33/32/89/1012333289.db2.gz ZODJFFBFGLYJTM-LBPRGKRZSA-N 1 0 367.421 2.522 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c1F ZINC001173191724 1012333327 /nfs/dbraw/zinc/33/33/27/1012333327.db2.gz GTIDEWLUHUJCAL-MCIONIFRSA-N 1 0 351.422 2.842 20 5 FFBDRO CCOC(=O)c1cc2n(n1)CCC[N@@H+]([C@H](C)Cc1ccc([N+](=O)[O-])cc1)C2 ZINC001173220802 1012352039 /nfs/dbraw/zinc/35/20/39/1012352039.db2.gz CPRWAWXBWCFAOY-CQSZACIVSA-N 1 0 372.425 2.805 20 5 FFBDRO CCOC[C@H]1C[N@@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)Cc2cnn(C)c21 ZINC001173224346 1012358355 /nfs/dbraw/zinc/35/83/55/1012358355.db2.gz JOYUKZMMMCRNJK-RHSMWYFYSA-N 1 0 358.442 2.895 20 5 FFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001173209588 1012369241 /nfs/dbraw/zinc/36/92/41/1012369241.db2.gz DFAXVFXXOBITIR-VZEFYGNVSA-N 1 0 361.442 2.981 20 5 FFBDRO C[NH+]1CCC(n2cc(NC(=O)/C=C\c3ccc([N+](=O)[O-])cc3)cn2)CC1 ZINC000870533275 1012436808 /nfs/dbraw/zinc/43/68/08/1012436808.db2.gz MWQSEKTVYMZMTK-DAXSKMNVSA-N 1 0 355.398 2.710 20 5 FFBDRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000870974661 1012660008 /nfs/dbraw/zinc/66/00/08/1012660008.db2.gz OAEFXQAGQZETNZ-MUJYYYPQSA-N 1 0 372.469 2.846 20 5 FFBDRO C[N@@H+]1CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CCC1(C)C ZINC000871150397 1012752313 /nfs/dbraw/zinc/75/23/13/1012752313.db2.gz NKLMKLCTXAXAHL-UHFFFAOYSA-N 1 0 360.458 2.751 20 5 FFBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC([NH+]2CCCCCC2)CC1 ZINC001173697343 1012902782 /nfs/dbraw/zinc/90/27/82/1012902782.db2.gz RLLHUWDLPPRLBT-UHFFFAOYSA-N 1 0 367.471 2.624 20 5 FFBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)CC[C@H]21 ZINC000827331027 1017640665 /nfs/dbraw/zinc/64/06/65/1017640665.db2.gz VDEQQFDTMWLZEJ-CZUORRHYSA-N 1 0 372.450 2.885 20 5 FFBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCN2C2CCOCC2)cc1[N+](=O)[O-] ZINC000927106424 1018368894 /nfs/dbraw/zinc/36/88/94/1018368894.db2.gz ZYQXAIWJOWYFMI-RHSMWYFYSA-N 1 0 363.458 2.897 20 5 FFBDRO O=[N+]([O-])c1cc(-c2cc(C[N@H+]3CCC[C@@H]3CO)on2)ccc1N1CCCC1 ZINC000901398617 1019043084 /nfs/dbraw/zinc/04/30/84/1019043084.db2.gz WSKUKYGJMIFTLM-OAHLLOKOSA-N 1 0 372.425 2.807 20 5 FFBDRO C[C@]1(NC(=O)c2cc([N+](=O)[O-])ccc2N)CC[N@H+](Cc2ccccc2)C1 ZINC000406045875 1032844092 /nfs/dbraw/zinc/84/40/92/1032844092.db2.gz UZTCIQBUAQRDBL-IBGZPJMESA-N 1 0 354.410 2.571 20 5 FFBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)OC[C@H]1C[N@@H+](C(C)C)CCO1 ZINC000802138834 1019788676 /nfs/dbraw/zinc/78/86/76/1019788676.db2.gz PVFWYZVRTZHDOO-FUHWJXTLSA-N 1 0 364.442 2.816 20 5 FFBDRO COc1cn(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c(C)cc1=O ZINC000902166744 1019924626 /nfs/dbraw/zinc/92/46/26/1019924626.db2.gz XHAZPBPAQXYWBK-UHFFFAOYSA-N 1 0 373.409 2.574 20 5 FFBDRO Cn1ccnc1[C@H](N[C@@H]1Cc2ccccc2[C@H]1[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000902436126 1020199997 /nfs/dbraw/zinc/19/99/97/1020199997.db2.gz XJEQFUOPDJPMIA-GUDVDZBRSA-N 1 0 363.421 2.632 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000931307643 1020414152 /nfs/dbraw/zinc/41/41/52/1020414152.db2.gz NOKLCXGXDPBTRT-RTBURBONSA-N 1 0 360.458 2.505 20 5 FFBDRO Cn1cnc2cc(C[NH2+][C@@H]3CCCC[C@@H]3n3ccc([N+](=O)[O-])n3)ccc21 ZINC000903203570 1020737566 /nfs/dbraw/zinc/73/75/66/1020737566.db2.gz BYHVVTVNQUISAY-PBHICJAKSA-N 1 0 354.414 2.952 20 5 FFBDRO C[C@](O)(C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)c1cccc(F)c1 ZINC000903312032 1020787647 /nfs/dbraw/zinc/78/76/47/1020787647.db2.gz XIXOFMASEGOUGV-JZXOWHBKSA-N 1 0 362.405 2.911 20 5 FFBDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000749601187 1021012317 /nfs/dbraw/zinc/01/23/17/1021012317.db2.gz DZYVWWXFDHZJPP-AWEZNQCLSA-N 1 0 364.402 2.887 20 5 FFBDRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2ccccc2[N+](=O)[O-])cc1OC ZINC000933445597 1021014369 /nfs/dbraw/zinc/01/43/69/1021014369.db2.gz RIXJVYXTJMGENY-IBGZPJMESA-N 1 0 360.410 2.695 20 5 FFBDRO CN(C(=O)OC(C)(C)C)[C@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000749813463 1021043418 /nfs/dbraw/zinc/04/34/18/1021043418.db2.gz ZSFSKAMKKDDKDD-HNNXBMFYSA-N 1 0 365.430 2.915 20 5 FFBDRO COc1cc(C(=O)c2ccc(C)cc2)cc([N+](=O)[O-])c1O[C@H]1C[NH2+]C[C@@H]1F ZINC001218019247 1032956011 /nfs/dbraw/zinc/95/60/11/1032956011.db2.gz HDLSJGGJGGFGQY-YOEHRIQHSA-N 1 0 374.368 2.832 20 5 FFBDRO Cc1nn(C[N@@H+](C)CCN(C)c2ccccc2)c2ncc([N+](=O)[O-])cc12 ZINC000749954555 1021162445 /nfs/dbraw/zinc/16/24/45/1021162445.db2.gz XSMJPSOBSJVMOG-UHFFFAOYSA-N 1 0 354.414 2.674 20 5 FFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2Cc3ncccc3N3CCC[C@H]3C2)c1 ZINC000934491439 1021258567 /nfs/dbraw/zinc/25/85/67/1021258567.db2.gz SPHGXZQDLHFUNK-LPHOPBHVSA-N 1 0 354.410 2.508 20 5 FFBDRO Cn1cc([C@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)cn1 ZINC001116556456 1021281764 /nfs/dbraw/zinc/28/17/64/1021281764.db2.gz OTKGUSXFFMQQEL-RBUKOAKNSA-N 1 0 352.394 2.741 20 5 FFBDRO COc1cc(O[C@H]2C[NH2+][C@H](C)C2)c2c(c1)oc1ccc(OC)c(O)c1c2=O ZINC001218039151 1032965757 /nfs/dbraw/zinc/96/57/57/1032965757.db2.gz BDVUNMGDSXVUAK-ZYHUDNBSSA-N 1 0 371.389 2.798 20 5 FFBDRO O=[N+]([O-])c1ccc(-n2cc(-c3nc([C@@H]4C[NH+]5CCC4CC5)no3)cn2)cc1 ZINC001116612968 1021308069 /nfs/dbraw/zinc/30/80/69/1021308069.db2.gz WIBOCAIYUBPFDS-MRXNPFEDSA-N 1 0 366.381 2.640 20 5 FFBDRO O=C(C[N@@H+]1CCCC[C@H]([C@@H]2CCOC2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000934840508 1021423546 /nfs/dbraw/zinc/42/35/46/1021423546.db2.gz FXJOBENBFZHDIU-DLBZAZTESA-N 1 0 373.453 2.623 20 5 FFBDRO O=[N+]([O-])c1cc(I)ccc1O[C@@H]1CC[C@@]12CC[NH2+]C2 ZINC001218115068 1033003447 /nfs/dbraw/zinc/00/34/47/1033003447.db2.gz FDTHSMWMVMCLSD-OLZOCXBDSA-N 1 0 374.178 2.720 20 5 FFBDRO O=[N+]([O-])c1cc(I)ccc1O[C@H]1CC[C@@]12CC[NH2+]C2 ZINC001218115070 1033003570 /nfs/dbraw/zinc/00/35/70/1033003570.db2.gz FDTHSMWMVMCLSD-STQMWFEESA-N 1 0 374.178 2.720 20 5 FFBDRO [NH3+]CCCCCCNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC001118200687 1022115234 /nfs/dbraw/zinc/11/52/34/1022115234.db2.gz FRKUHGQBDGDENS-UHFFFAOYSA-N 1 0 364.446 2.667 20 5 FFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCC(=O)N1CCC[C@@H](C)C1 ZINC001118990661 1022510376 /nfs/dbraw/zinc/51/03/76/1022510376.db2.gz CAHPYTUHCDRDNB-KGLIPLIRSA-N 1 0 351.422 2.903 20 5 FFBDRO O=C(NCc1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CCCCC[NH2+]1 ZINC001119374758 1022717842 /nfs/dbraw/zinc/71/78/42/1022717842.db2.gz ICTUFIHYRDEXDC-LBPRGKRZSA-N 1 0 356.220 2.506 20 5 FFBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NCC[NH2+]C(C)(C)C)CC1 ZINC000075651253 1023125979 /nfs/dbraw/zinc/12/59/79/1023125979.db2.gz LFKDMYHHQRUPHW-UHFFFAOYSA-N 1 0 362.474 2.949 20 5 FFBDRO O=[N+]([O-])c1c2c(cc(Br)c1O[C@@H]1C[C@H]3C[NH2+]C[C@H]31)CCC2 ZINC001218329646 1033109024 /nfs/dbraw/zinc/10/90/24/1033109024.db2.gz DIOWVJBDKHWNHG-UFGOTCBOSA-N 1 0 353.216 2.833 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C[C@]1(N2CCOCC2)CCSC1 ZINC001120020564 1023209826 /nfs/dbraw/zinc/20/98/26/1023209826.db2.gz NFCJYPXPDCBVNM-MRXNPFEDSA-N 1 0 371.890 2.546 20 5 FFBDRO CCOc1cc(C[N@H+](CCC(=O)OC)C2CCOCC2)ccc1[N+](=O)[O-] ZINC000755038802 1023557994 /nfs/dbraw/zinc/55/79/94/1023557994.db2.gz CLBYCGURIQBMAL-UHFFFAOYSA-N 1 0 366.414 2.538 20 5 FFBDRO O=[N+]([O-])c1ccc(I)c(O[C@H]2C[NH2+]CCC23CC3)c1 ZINC001218407765 1033141400 /nfs/dbraw/zinc/14/14/00/1033141400.db2.gz ZVFNNYBLZGRHSN-LBPRGKRZSA-N 1 0 374.178 2.720 20 5 FFBDRO C[C@H]1CC[C@H](Oc2cccc(I)c2[N+](=O)[O-])C[NH2+]1 ZINC001218409207 1033142434 /nfs/dbraw/zinc/14/24/34/1033142434.db2.gz XZPXBDTVXQPBDV-IUCAKERBSA-N 1 0 362.167 2.719 20 5 FFBDRO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)OC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000755676489 1023622593 /nfs/dbraw/zinc/62/25/93/1023622593.db2.gz AIBWXOLTQIDJCN-QWSHFYNQSA-N 1 0 362.426 2.898 20 5 FFBDRO COc1ccc(NC(=O)N(CC[NH+](C)C)C2CCCC2)c([N+](=O)[O-])c1 ZINC001123268011 1023716016 /nfs/dbraw/zinc/71/60/16/1023716016.db2.gz IXRDPVOCXBFJTN-UHFFFAOYSA-N 1 0 350.419 2.942 20 5 FFBDRO Cc1cc(NC(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)cc([N+](=O)[O-])c1 ZINC001123453988 1023810006 /nfs/dbraw/zinc/81/00/06/1023810006.db2.gz SWYUAWWYIPJTQG-KRWDZBQOSA-N 1 0 362.430 2.668 20 5 FFBDRO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001122107414 1024341739 /nfs/dbraw/zinc/34/17/39/1024341739.db2.gz DZEVIBMMSHLAQY-UBSAEIQESA-N 1 0 351.834 2.828 20 5 FFBDRO CC[NH+](CC)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N)c1ccccc1 ZINC000195131595 1024945448 /nfs/dbraw/zinc/94/54/48/1024945448.db2.gz LCYPRKDHYSLMAV-SFHVURJKSA-N 1 0 356.426 2.990 20 5 FFBDRO C[N@@H+]1CCC[C@]2(CCN(Cn3cc(-c4ccc([N+](=O)[O-])cc4)cn3)C2)C1 ZINC000840085189 1026950363 /nfs/dbraw/zinc/95/03/63/1026950363.db2.gz BIGNFPRHJVSKAI-IBGZPJMESA-N 1 0 355.442 2.834 20 5 FFBDRO COC(=O)[C@@]1(C)CCC[N@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000840184054 1027000959 /nfs/dbraw/zinc/00/09/59/1027000959.db2.gz JFLNDUIOKGATPT-SFHVURJKSA-N 1 0 358.398 2.691 20 5 FFBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000840370562 1027063619 /nfs/dbraw/zinc/06/36/19/1027063619.db2.gz YLKJTUHQBJRDLF-HNNXBMFYSA-N 1 0 368.437 2.665 20 5 FFBDRO COC(=O)[C@]12CC[NH2+][C@H]1CN(c1ccc3ccc4cccnc4c3n1)CC2 ZINC001158635898 1027081671 /nfs/dbraw/zinc/08/16/71/1027081671.db2.gz JNORUPOPABVZIM-KKSFZXQISA-N 1 0 362.433 2.514 20 5 FFBDRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC001141993912 1027249268 /nfs/dbraw/zinc/24/92/68/1027249268.db2.gz UKMTZRRSZQGZNS-GOSISDBHSA-N 1 0 373.428 2.956 20 5 FFBDRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC001141993913 1027249564 /nfs/dbraw/zinc/24/95/64/1027249564.db2.gz UKMTZRRSZQGZNS-SFHVURJKSA-N 1 0 373.428 2.956 20 5 FFBDRO [NH3+]CCN(c1c(Cl)[n+]([O-])ccc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2 ZINC001159545717 1027427607 /nfs/dbraw/zinc/42/76/07/1027427607.db2.gz MMWKGWQONWAFSC-UHFFFAOYSA-N 1 0 366.849 2.616 20 5 FFBDRO O=C(NCCC1=CC[N@H+](C/C=C/c2ccccc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001160096963 1027588245 /nfs/dbraw/zinc/58/82/45/1027588245.db2.gz CQHZEFXPEPAUSU-LVLPYEQSSA-N 1 0 355.438 2.503 20 5 FFBDRO Nc1cc(CCCCNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)cc[nH+]1 ZINC001160244194 1027648866 /nfs/dbraw/zinc/64/88/66/1027648866.db2.gz MSWRWKBPRVIMAT-UHFFFAOYSA-N 1 0 365.393 2.873 20 5 FFBDRO Cc1ccc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1[N+](=O)[O-] ZINC000093534360 1027752322 /nfs/dbraw/zinc/75/23/22/1027752322.db2.gz OGVARNWHSPWFTA-CQSZACIVSA-N 1 0 357.370 2.893 20 5 FFBDRO [NH3+]Cc1cc(Br)ccc1Nc1c(Cl)[n+]([O-])ccc1[N+](=O)[O-] ZINC001161852458 1028334694 /nfs/dbraw/zinc/33/46/94/1028334694.db2.gz RMUYALJAXRZSMJ-UHFFFAOYSA-N 1 0 373.594 2.846 20 5 FFBDRO [NH3+]Cc1nc2cnccc2n1-c1cc2ccc(Cl)nc2cc1[N+](=O)[O-] ZINC001162220085 1028472845 /nfs/dbraw/zinc/47/28/45/1028472845.db2.gz IXXSETFXBRVFAP-UHFFFAOYSA-N 1 0 354.757 2.989 20 5 FFBDRO C[NH+](C)C[C@@H]1COCCN1c1ccc2c(ccc(Cl)c2[N+](=O)[O-])n1 ZINC001154978367 1028533767 /nfs/dbraw/zinc/53/37/67/1028533767.db2.gz SCKSTMMAFNCAGU-LLVKDONJSA-N 1 0 350.806 2.563 20 5 FFBDRO CC[N@@H+](Cc1ccccc1C)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000957712988 1028582756 /nfs/dbraw/zinc/58/27/56/1028582756.db2.gz FIYXXHMAEFCCGZ-RTBURBONSA-N 1 0 359.470 2.721 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])c(Cl)cc1NC[C@@]1(F)CCCC[NH2+]C1 ZINC001162586218 1028588367 /nfs/dbraw/zinc/58/83/67/1028588367.db2.gz SEYZSUAGDUTQIK-OAHLLOKOSA-N 1 0 359.785 2.929 20 5 FFBDRO CCOC1(OCC)CC[NH2+]C[C@@H]1Nc1ncc([N+](=O)[O-])c2ccccc21 ZINC001155227046 1028633336 /nfs/dbraw/zinc/63/33/36/1028633336.db2.gz HSJPRCFXVMCENC-INIZCTEOSA-N 1 0 360.414 2.686 20 5 FFBDRO CCOC1(OCC)CC[NH2+]C[C@H]1Nc1ncc(C(C)(C)C)cc1[N+](=O)[O-] ZINC001162729864 1028635001 /nfs/dbraw/zinc/63/50/01/1028635001.db2.gz KAXMDMUPLNLXFN-OAHLLOKOSA-N 1 0 366.462 2.830 20 5 FFBDRO O=[N+]([O-])c1c2nsnc2ccc1NC[C@@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001162962632 1028735469 /nfs/dbraw/zinc/73/54/69/1028735469.db2.gz FTIVFHMTEPZOJL-NSHDSACASA-N 1 0 363.443 2.560 20 5 FFBDRO Cc1cc(Cl)c([N+](=O)[O-])c(-n2c3ccccc3nc2N2CC[NH2+]CC2)n1 ZINC001155578264 1028797713 /nfs/dbraw/zinc/79/77/13/1028797713.db2.gz GMJITIMAGAYYEI-UHFFFAOYSA-N 1 0 372.816 2.700 20 5 FFBDRO NC1=CC=C(C2CCN(c3ccc4cccc([N+](=O)[O-])c4n3)CC2)[NH2+]C1 ZINC001163131635 1028815050 /nfs/dbraw/zinc/81/50/50/1028815050.db2.gz XTQYKWQBKDXQST-UHFFFAOYSA-N 1 0 351.410 2.689 20 5 FFBDRO COc1cccc([C@@H](C[NH3+])NC(F)(F)c2cc([N+](=O)[O-])cnc2Cl)c1 ZINC001163307428 1028883899 /nfs/dbraw/zinc/88/38/99/1028883899.db2.gz YSZWEXRDNDQABA-CYBMUJFWSA-N 1 0 372.759 2.991 20 5 FFBDRO Cc1ccc(Cl)c(CNc2ncnc(C3C[NH2+]C3)c2[N+](=O)[O-])c1F ZINC001163655574 1029011984 /nfs/dbraw/zinc/01/19/84/1029011984.db2.gz LEIUMFRTACRJLD-UHFFFAOYSA-N 1 0 351.769 2.785 20 5 FFBDRO COc1ccc2c(c1)c(C1CC[NH2+]CC1)cn2-c1ccc([N+](=O)[O-])c(N)n1 ZINC001156018587 1029015459 /nfs/dbraw/zinc/01/54/59/1029015459.db2.gz IWIXLAQLZABLAP-UHFFFAOYSA-N 1 0 367.409 2.992 20 5 FFBDRO O=C(C[N@@H+]1CCC[C@@H]2CCCC[C@H]21)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000245612876 1029044347 /nfs/dbraw/zinc/04/43/47/1029044347.db2.gz WPEMUKSYYJMMQQ-GXTWGEPZSA-N 1 0 361.398 2.917 20 5 FFBDRO COc1nc(-n2c3ccccc3nc2C2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC001163759719 1029051755 /nfs/dbraw/zinc/05/17/55/1029051755.db2.gz GNYSEWDVKPAOOF-UHFFFAOYSA-N 1 0 353.382 2.804 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])cc(-n2c(C[NH3+])cc3cc(Cl)ccc32)n1 ZINC001163898290 1029108682 /nfs/dbraw/zinc/10/86/82/1029108682.db2.gz USLXSLBWTHSEEM-UHFFFAOYSA-N 1 0 360.757 2.832 20 5 FFBDRO Cc1cnc(NCCc2ccc(N3CC[NH+](C)CC3)cc2)c([N+](=O)[O-])c1 ZINC001164395657 1029276111 /nfs/dbraw/zinc/27/61/11/1029276111.db2.gz ZZWPPQXYFHNTGZ-UHFFFAOYSA-N 1 0 355.442 2.705 20 5 FFBDRO [NH3+]CC1(N(Cc2ccccc2)c2ccc3cccc([N+](=O)[O-])c3n2)COC1 ZINC001156632332 1029279787 /nfs/dbraw/zinc/27/97/87/1029279787.db2.gz MKZVVVQWMMXSGU-UHFFFAOYSA-N 1 0 364.405 2.877 20 5 FFBDRO C[C@@H]1CC[C@@H](C[NH3+])CN1c1nc(C(F)(F)F)nc(Cl)c1[N+](=O)[O-] ZINC001164473925 1029288435 /nfs/dbraw/zinc/28/84/35/1029288435.db2.gz LBASHTNLDIMOOJ-RQJHMYQMSA-N 1 0 353.732 2.621 20 5 FFBDRO [NH3+]Cc1nn(-c2nc(Cl)nc3ccc([N+](=O)[O-])cc32)c2ccccc12 ZINC001156855703 1029377782 /nfs/dbraw/zinc/37/77/82/1029377782.db2.gz MUKVEBCWSOJLET-UHFFFAOYSA-N 1 0 354.757 2.989 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N2C[C@H]3[C@@H](CC[N@@H+]3Cc3ccccc3)C2)c1 ZINC001165089304 1029380349 /nfs/dbraw/zinc/38/03/49/1029380349.db2.gz TUBMRDFKGLAKAP-HOCLYGCPSA-N 1 0 374.828 2.592 20 5 FFBDRO CN(c1nc(C(F)(F)F)nc(Cl)c1[N+](=O)[O-])[C@]1(C)CCC[NH2+]C1 ZINC001156976302 1029428711 /nfs/dbraw/zinc/42/87/11/1029428711.db2.gz CYJUZJIDTUOQQZ-LLVKDONJSA-N 1 0 353.732 2.635 20 5 FFBDRO CSc1nc(Cl)nc(N2CCCC[C@@]23CCC[NH2+]C3)c1[N+](=O)[O-] ZINC001157471667 1029593530 /nfs/dbraw/zinc/59/35/30/1029593530.db2.gz MKOQJCFDKIVFSS-AWEZNQCLSA-N 1 0 357.867 2.873 20 5 FFBDRO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1CCC2(CCC[N@@H+]2C)CC1 ZINC000782355233 1029669954 /nfs/dbraw/zinc/66/99/54/1029669954.db2.gz CSSJXUYOCQSZRN-UHFFFAOYSA-N 1 0 365.405 2.975 20 5 FFBDRO Cc1ncn(-c2nc(Cl)cc(Cl)c2[N+](=O)[O-])c1CSCC[NH3+] ZINC001157961831 1029693483 /nfs/dbraw/zinc/69/34/83/1029693483.db2.gz OYYITWUUYHLUFF-UHFFFAOYSA-N 1 0 362.242 2.983 20 5 FFBDRO O=C(CC[NH2+][C@@H](CO)c1cccc(F)c1)Nc1cc([N+](=O)[O-])ccc1F ZINC000782532189 1029734102 /nfs/dbraw/zinc/73/41/02/1029734102.db2.gz XOESDNDCDOZQIW-INIZCTEOSA-N 1 0 365.336 2.525 20 5 FFBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N[C@@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)n1 ZINC001158272412 1029782510 /nfs/dbraw/zinc/78/25/10/1029782510.db2.gz ZRUYJLBRTLBETH-SJKOYZFVSA-N 1 0 364.450 2.607 20 5 FFBDRO O=[N+]([O-])c1ccc2ncc(N(c3ccncc3F)C3CC[NH2+]CC3)nc2c1 ZINC001158333632 1029800249 /nfs/dbraw/zinc/80/02/49/1029800249.db2.gz ITTARAGAVWUDED-UHFFFAOYSA-N 1 0 368.372 2.962 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)c(Cl)nc1NCc1ncn2c1C[NH2+]CCC2 ZINC001158356348 1029807150 /nfs/dbraw/zinc/80/71/50/1029807150.db2.gz RPQASUIDPIMUMN-UHFFFAOYSA-N 1 0 357.201 2.599 20 5 FFBDRO Cc1c([C@@H](C)[NH2+]CC(C)(C)[C@H]2COCC23OCCO3)cccc1[N+](=O)[O-] ZINC000840805174 1029885739 /nfs/dbraw/zinc/88/57/39/1029885739.db2.gz ZTAXOBDVTLBMGP-RHSMWYFYSA-N 1 0 364.442 2.970 20 5 FFBDRO C[N@H+](C1CN(c2cc(Cl)nc3ccc([N+](=O)[O-])cc32)C1)[C@@H]1CCOC1 ZINC001165205019 1029891418 /nfs/dbraw/zinc/89/14/18/1029891418.db2.gz FZSPYPLHDHECGQ-GFCCVEGCSA-N 1 0 362.817 2.706 20 5 FFBDRO [NH3+][C@H]1[C@H]2CN(c3cc(Oc4ccnc(Cl)c4)c(F)cc3[N+](=O)[O-])C[C@@H]12 ZINC001165382573 1029961097 /nfs/dbraw/zinc/96/10/97/1029961097.db2.gz TUIROOLJZPELIP-WRBXQSRGSA-N 1 0 364.764 2.968 20 5 FFBDRO CC(C)N(c1ncnc2c1CC[NH2+]CC2)c1ncc(Cl)cc1[N+](=O)[O-] ZINC001165513254 1030005906 /nfs/dbraw/zinc/00/59/06/1030005906.db2.gz ZPNCBWFLEURGLA-UHFFFAOYSA-N 1 0 362.821 2.668 20 5 FFBDRO COCc1nn(-c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)c2c1C[NH2+]C2 ZINC001165634829 1030062368 /nfs/dbraw/zinc/06/23/68/1030062368.db2.gz WXVIUWHFKCHGJG-UHFFFAOYSA-N 1 0 369.356 2.731 20 5 FFBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001142221484 1030181219 /nfs/dbraw/zinc/18/12/19/1030181219.db2.gz FGGBLTJMDFYMNU-UONOGXRCSA-N 1 0 371.441 2.835 20 5 FFBDRO CS(=O)(=O)N(c1cccc(C[NH3+])c1)c1ccc2cnccc2c1[N+](=O)[O-] ZINC001166485319 1030419625 /nfs/dbraw/zinc/41/96/25/1030419625.db2.gz JWKVULCTTCLXQO-UHFFFAOYSA-N 1 0 372.406 2.699 20 5 FFBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC000842480639 1030754305 /nfs/dbraw/zinc/75/43/05/1030754305.db2.gz WKJQNIQLVDBVPY-AAEUAGOBSA-N 1 0 374.828 2.965 20 5 FFBDRO COc1ccc(F)cc1CC[NH2+]Cc1cc(OC)c(O)cc1[N+](=O)[O-] ZINC001203672286 1030818409 /nfs/dbraw/zinc/81/84/09/1030818409.db2.gz GERSRRYXNJJBIP-UHFFFAOYSA-N 1 0 350.346 2.789 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)c1ccc2c(c1)CC(=O)N2C ZINC000797518780 1031142098 /nfs/dbraw/zinc/14/20/98/1031142098.db2.gz LIKJXRYMDYPRSV-LBPRGKRZSA-N 1 0 355.394 2.973 20 5 FFBDRO CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000797521726 1031143390 /nfs/dbraw/zinc/14/33/90/1031143390.db2.gz ZJYAIJMAXIZIRP-HIFRSBDPSA-N 1 0 365.430 2.950 20 5 FFBDRO CC(C)Oc1cccc([C@H](O)C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000843081855 1031173911 /nfs/dbraw/zinc/17/39/11/1031173911.db2.gz QSBNMBVVQBNCKG-RTBURBONSA-N 1 0 360.410 2.739 20 5 FFBDRO C[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H](O)c1cccc(F)c1 ZINC000843101028 1031183251 /nfs/dbraw/zinc/18/32/51/1031183251.db2.gz FRLVRABLPHPSQY-SGTLLEGYSA-N 1 0 361.373 2.774 20 5 FFBDRO [NH3+]C[C@@H]1c2ccccc2CCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000843392499 1031372626 /nfs/dbraw/zinc/37/26/26/1031372626.db2.gz RQYWWEDKPJAETC-GOSISDBHSA-N 1 0 372.400 2.621 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H]2C[C@@H]([NH+](C)C)C23CCC3)c1 ZINC001149197944 1031455181 /nfs/dbraw/zinc/45/51/81/1031455181.db2.gz WUISRCMLIUZSBZ-DLBZAZTESA-N 1 0 361.442 2.661 20 5 FFBDRO Nc1cccc([N+](=O)[O-])c1C(=O)NCc1ccc(Nc2cc[nH+]cc2)cc1 ZINC001149347751 1031491890 /nfs/dbraw/zinc/49/18/90/1031491890.db2.gz YWPJKBALJLPRCU-UHFFFAOYSA-N 1 0 363.377 2.668 20 5 FFBDRO O=C(c1cc([N+](=O)[O-])ccc1F)N1CC[NH2+][C@H](Cc2ccc(F)cc2)C1 ZINC001149542898 1031536215 /nfs/dbraw/zinc/53/62/15/1031536215.db2.gz PCBPCKFRDAKBDO-CQSZACIVSA-N 1 0 361.348 2.530 20 5 FFBDRO COC(=O)COc1ccc(C[N@@H+]2CC[C@@H](c3ccccn3)C2)cc1[N+](=O)[O-] ZINC000798965081 1031597321 /nfs/dbraw/zinc/59/73/21/1031597321.db2.gz XXGXYEQYVCEJET-OAHLLOKOSA-N 1 0 371.393 2.531 20 5 FFBDRO COc1c(O)ccc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c1[N+](=O)[O-] ZINC001205503804 1031795181 /nfs/dbraw/zinc/79/51/81/1031795181.db2.gz JVDAFEXWKGUFBL-UHFFFAOYSA-N 1 0 361.354 2.892 20 5 FFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](CCO)Cc1ccccc1 ZINC000799731879 1031868490 /nfs/dbraw/zinc/86/84/90/1031868490.db2.gz ROJOXARDRPTYFQ-QAPCUYQASA-N 1 0 371.437 2.895 20 5 FFBDRO C[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1ccc(N2CCNC2=O)cc1 ZINC000829729403 1033307376 /nfs/dbraw/zinc/30/73/76/1033307376.db2.gz AVKZAPCIQYQBBD-CQSZACIVSA-N 1 0 370.409 2.854 20 5 FFBDRO COc1ccc(COC[C@@H]2CCC3(CC[NH+](C)CC3)O2)c([N+](=O)[O-])c1 ZINC001223514426 1033476920 /nfs/dbraw/zinc/47/69/20/1033476920.db2.gz UMZSLMCPGGXEKE-INIZCTEOSA-N 1 0 350.415 2.763 20 5 FFBDRO C[C@@H](OC(C)(C)C)[C@@H]([NH3+])C(=O)n1c2ccccc2cc2c(=O)c(N)ccc1-2 ZINC001219253689 1033573426 /nfs/dbraw/zinc/57/34/26/1033573426.db2.gz GCVXKCAKYUDLKL-KZULUSFZSA-N 1 0 367.449 2.860 20 5 FFBDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2Oc1ncc(Br)cc1[N+](=O)[O-] ZINC001225750602 1034394672 /nfs/dbraw/zinc/39/46/72/1034394672.db2.gz ONBIBQHOMOPXBJ-DDFAGTSDSA-N 1 0 356.220 2.861 20 5 FFBDRO C[NH+]1CCC2(CC[C@H](COc3ncnc4ccc([N+](=O)[O-])cc43)O2)CC1 ZINC001226434650 1034683082 /nfs/dbraw/zinc/68/30/82/1034683082.db2.gz NXKRIMUCAWTNAV-CQSZACIVSA-N 1 0 358.398 2.560 20 5 FFBDRO Cc1ccc2c(oc3c(CC(=O)NCCCC[NH3+])cccc3c2=O)c1C ZINC001221348218 1034685143 /nfs/dbraw/zinc/68/51/43/1034685143.db2.gz WOWUVWNEUFOKMI-UHFFFAOYSA-N 1 0 352.434 2.961 20 5 FFBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1cc(F)c([N+](=O)[O-])cc1NC(C)=O ZINC000832954766 1035040391 /nfs/dbraw/zinc/04/03/91/1035040391.db2.gz VKAXCPQPVFNUPL-LLVKDONJSA-N 1 0 368.409 2.543 20 5 FFBDRO CC1=CC[N@H+](CCNC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC001139721309 1035207513 /nfs/dbraw/zinc/20/75/13/1035207513.db2.gz DQEQTQVOSVUBET-UHFFFAOYSA-N 1 0 351.834 2.949 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000835066775 1035504038 /nfs/dbraw/zinc/50/40/38/1035504038.db2.gz BXENDRCBMODMFM-INIZCTEOSA-N 1 0 365.430 2.629 20 5 FFBDRO CC(C)[N@@H+]1CCC[C@@H](Oc2ccc3c(c2)oc2cc(=O)ccc-2[n+]3[O-])C1 ZINC001227452894 1035562241 /nfs/dbraw/zinc/56/22/41/1035562241.db2.gz SDGWGWRQYPBOFC-MRXNPFEDSA-N 1 0 354.406 2.783 20 5 FFBDRO Cc1cc(O[C@@H]2C[C@@H]3CC(=O)C[C@H]2N3C)c([N+](=O)[O-])cc1Br ZINC001228001123 1035863442 /nfs/dbraw/zinc/86/34/42/1035863442.db2.gz MVDGZMVCMGUZKU-TURKWSHLSA-N 1 0 369.215 2.849 20 5 FFBDRO CC(=O)O[C@@H]1C[C@@H]2C[C@H](Oc3ccc([N+](=O)[O-])c(Cl)c3)C[C@H]1[N@@H+]2C ZINC001228759045 1036307554 /nfs/dbraw/zinc/30/75/54/1036307554.db2.gz RQRDYGMUCDVLFD-GDJRKYJOSA-N 1 0 354.790 2.794 20 5 FFBDRO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2N)CC[N@H+](Cc2ccccc2)C1 ZINC001140895722 1036404452 /nfs/dbraw/zinc/40/44/52/1036404452.db2.gz GAWKMCWKICXDBQ-OAHLLOKOSA-N 1 0 368.437 2.771 20 5 FFBDRO O=[N+]([O-])c1c[n+]([O-])ccc1O[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC001229455651 1036686323 /nfs/dbraw/zinc/68/63/23/1036686323.db2.gz KXPCFAAUCYWHRA-SOLBZPMBSA-N 1 0 355.394 2.518 20 5 FFBDRO C[C@H](C[N+](C)(C)C)Oc1ncnc2cc(I)ccc21 ZINC001233847999 1036787345 /nfs/dbraw/zinc/78/73/45/1036787345.db2.gz NUKORSWJYKHHHQ-SNVBAGLBSA-N 1 0 372.230 2.708 20 5 FFBDRO Cc1nc2c(c(O[C@@H](C)C[N+](C)(C)C)n1)CN(Cc1ccccc1)CC2 ZINC001229845753 1036928152 /nfs/dbraw/zinc/92/81/52/1036928152.db2.gz IVPQHVBPFGUIQC-INIZCTEOSA-N 1 0 355.506 2.817 20 5 FFBDRO C[C@H](C[NH+](C)C)Oc1ccc(I)c([N+](=O)[O-])c1 ZINC001229952175 1036995499 /nfs/dbraw/zinc/99/54/99/1036995499.db2.gz XGBNKASCWHRSTE-MRVPVSSYSA-N 1 0 350.156 2.528 20 5 FFBDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2Oc1cc(N2CCOCC2)ccc1[N+](=O)[O-] ZINC001234363481 1037005339 /nfs/dbraw/zinc/00/53/39/1037005339.db2.gz JHODDGXRRHZSRC-QWHZDKJVSA-N 1 0 361.442 2.541 20 5 FFBDRO C[N@@H+]1CCC[C@@H](Oc2c([O-])ccc3c([O-])c4c(=O)cc(O)cc-4oc32)CC1 ZINC001234751652 1037169433 /nfs/dbraw/zinc/16/94/33/1037169433.db2.gz BVAWYWWRQNHWQG-GFCCVEGCSA-N 1 0 371.389 2.926 20 5 FFBDRO COc1cc(O)cc2oc3cc(O)c(O[C@@H](C)C[N+](C)(C)C)cc3c(=O)c12 ZINC001234802368 1037185132 /nfs/dbraw/zinc/18/51/32/1037185132.db2.gz XAIGALZMNKPCBP-NSHDSACASA-O 1 0 374.413 2.840 20 5 FFBDRO Cc1ccc2nc(OC(=O)C[C@@H](O)C[N+](C)(C)C)cc(C(F)(F)F)c2c1 ZINC001231098110 1037469255 /nfs/dbraw/zinc/46/92/55/1037469255.db2.gz KNUFTPAIPZQMEN-GFCCVEGCSA-N 1 0 371.379 2.925 20 5 FFBDRO COc1cc(N2CCC(N3CCC[N@@H+]4CCC[C@@H]4C3)CC2)ccc1[N+](=O)[O-] ZINC001256099560 1038383630 /nfs/dbraw/zinc/38/36/30/1038383630.db2.gz RMNKVYHRRDPSJT-GOSISDBHSA-N 1 0 374.485 2.742 20 5 FFBDRO COc1cccc(-c2nc3c(cccc3N3CC[NH+](C)CC3)[nH]2)c1[N+](=O)[O-] ZINC001250883100 1038777263 /nfs/dbraw/zinc/77/72/63/1038777263.db2.gz UAVGUXNLDHVCKH-UHFFFAOYSA-N 1 0 367.409 2.899 20 5 FFBDRO C[C@@H]1C[N@@H+](CCc2nnc(-c3c[nH]c4cc([N+](=O)[O-])ccc43)o2)C[C@H](C)O1 ZINC001258037720 1039137953 /nfs/dbraw/zinc/13/79/53/1039137953.db2.gz ZXAPKYYQQMYGGK-TXEJJXNPSA-N 1 0 371.397 2.778 20 5 FFBDRO COC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Br ZINC001258333537 1039317910 /nfs/dbraw/zinc/31/79/10/1039317910.db2.gz RUYXEJUMTMJUMD-WCQYABFASA-N 1 0 357.204 2.789 20 5 FFBDRO C[C@@H]1CCN(C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)C[C@@H]1[NH3+] ZINC001246568108 1039398912 /nfs/dbraw/zinc/39/89/12/1039398912.db2.gz YRLWIESPBHOLCU-BZNIZROVSA-N 1 0 354.401 2.511 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1Nc1ccc(N2CC[NH+](C)CC2)c(CO)c1 ZINC001211289515 1040064505 /nfs/dbraw/zinc/06/45/05/1040064505.db2.gz POZLQHOFWJRNGP-UHFFFAOYSA-N 1 0 356.426 2.891 20 5 FFBDRO CCOC(=O)c1cc([N+](=O)[O-])cc(-n2c(N)[nH+]c3ccc(OC)cc32)c1 ZINC001211364065 1040106227 /nfs/dbraw/zinc/10/62/27/1040106227.db2.gz FGTXTRBZDIOQEV-UHFFFAOYSA-N 1 0 356.338 2.701 20 5 FFBDRO C[NH+](C)Cc1ccc(-c2noc([C@H](N)Cc3cccc([N+](=O)[O-])c3)n2)cc1 ZINC001248209800 1040174455 /nfs/dbraw/zinc/17/44/55/1040174455.db2.gz XKRLCVQDQABCRD-QGZVFWFLSA-N 1 0 367.409 2.949 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(Cc2nc(-c3ccc4c(n3)CC[NH2+]C4)no2)cc1F ZINC001249316932 1040680216 /nfs/dbraw/zinc/68/02/16/1040680216.db2.gz NAPSCJQSQQMWRV-UHFFFAOYSA-N 1 0 373.319 2.555 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCN3CCCC(F)(F)C3)CC2)cc1 ZINC001254469751 1040735588 /nfs/dbraw/zinc/73/55/88/1040735588.db2.gz DAALNEZXSDURAY-UHFFFAOYSA-N 1 0 368.428 2.884 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3C[C@H](CO)[C@@H](C(F)(F)F)C3)CC2)cc1 ZINC001254473914 1040739339 /nfs/dbraw/zinc/73/93/39/1040739339.db2.gz JLJOCBHQSMWTNO-WBMJQRKESA-N 1 0 373.375 2.666 20 5 FFBDRO CCOC(=O)[C@H]1CC[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254476112 1040743624 /nfs/dbraw/zinc/74/36/24/1040743624.db2.gz MHUZNPHJOGQINW-HOCLYGCPSA-N 1 0 361.442 2.885 20 5 FFBDRO O=C1CCCC2(CC[NH+](C3CCN(c4ccc([N+](=O)[O-])cc4)CC3)CC2)N1 ZINC001254475378 1040743781 /nfs/dbraw/zinc/74/37/81/1040743781.db2.gz BZYVCEJAMQEKDF-UHFFFAOYSA-N 1 0 372.469 2.698 20 5 FFBDRO CC(=O)N1CCC[C@@H]([N@H+](C)C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254480308 1040746699 /nfs/dbraw/zinc/74/66/99/1040746699.db2.gz DQLQHRKZPCGNBQ-LJQANCHMSA-N 1 0 360.458 2.506 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CCN(C(=O)c2ccccn2)CC1 ZINC001254548199 1040790266 /nfs/dbraw/zinc/79/02/66/1040790266.db2.gz LEWDLXSTCXACQY-OAHLLOKOSA-N 1 0 368.437 2.815 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cn(Cc2ccncc2)cn1 ZINC001254545373 1040790417 /nfs/dbraw/zinc/79/04/17/1040790417.db2.gz MUJNKEBUOZTEIV-HNNXBMFYSA-N 1 0 351.410 2.955 20 5 FFBDRO CCOC[C@H]1C[N@@H+]([C@H](C)Cc2ccccc2[N+](=O)[O-])Cc2cnn(C)c21 ZINC001254560673 1040796021 /nfs/dbraw/zinc/79/60/21/1040796021.db2.gz HAQHAFPOKAPWLS-RHSMWYFYSA-N 1 0 358.442 2.895 20 5 FFBDRO COc1ccc(OC)c(C(=O)C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001254569507 1040804540 /nfs/dbraw/zinc/80/45/40/1040804540.db2.gz YWCMUBIYNXQKGN-CQSZACIVSA-N 1 0 356.378 2.552 20 5 FFBDRO Cc1ccnc(N([C@H](C)Cc2ccccc2[N+](=O)[O-])C2CC[NH2+]CC2)n1 ZINC001254569705 1040805582 /nfs/dbraw/zinc/80/55/82/1040805582.db2.gz JWTZGHOMTKYONR-OAHLLOKOSA-N 1 0 355.442 2.883 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]CCc1nc(-c3ccccc3)no1)C2 ZINC001254572224 1040807042 /nfs/dbraw/zinc/80/70/42/1040807042.db2.gz KBFLLZVRLTXKPC-MRXNPFEDSA-N 1 0 350.378 2.944 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]CC1(N3CCOCC3)CCCCC1)C2 ZINC001254572604 1040808192 /nfs/dbraw/zinc/80/81/92/1040808192.db2.gz QYEWGUCOKACGEO-GOSISDBHSA-N 1 0 359.470 2.687 20 5 FFBDRO O=C(C1CCCC1)N1CCC([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254574565 1040810037 /nfs/dbraw/zinc/81/00/37/1040810037.db2.gz IVXIJQBTAAICGO-GOSISDBHSA-N 1 0 357.454 2.833 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]C[C@@H]1OCCc3cn(CC4CC4)nc31)C2 ZINC001254572868 1040810751 /nfs/dbraw/zinc/81/07/51/1040810751.db2.gz UGGTWUVMROGAKA-HKUYNNGSSA-N 1 0 368.437 2.572 20 5 FFBDRO CC(C)(C)C(=O)N1CCC(C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254580016 1040811738 /nfs/dbraw/zinc/81/17/38/1040811738.db2.gz YSLKBHGDSNJPDC-KRWDZBQOSA-N 1 0 359.470 2.936 20 5 FFBDRO CCOC(=O)[C@H](C[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC001254587802 1040818882 /nfs/dbraw/zinc/81/88/82/1040818882.db2.gz ZOYSAUURSHZGFX-IEBWSBKVSA-N 1 0 354.406 2.999 20 5 FFBDRO CN(C)C(=O)N1CCCC12CC[NH+]([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)CC2 ZINC001254597521 1040827578 /nfs/dbraw/zinc/82/75/78/1040827578.db2.gz VWIKKOJCNUIJSI-GOSISDBHSA-N 1 0 372.469 2.674 20 5 FFBDRO CC(C)(C)OC(=O)NC[C@@H]1CC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254601376 1040831587 /nfs/dbraw/zinc/83/15/87/1040831587.db2.gz YZEYEOSWEWKRCV-GUYCJALGSA-N 1 0 361.442 2.909 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH+]1CCC(Oc3ncc(F)cn3)CC1)C2 ZINC001254606097 1040834586 /nfs/dbraw/zinc/83/45/86/1040834586.db2.gz DTVIFAZYVGPJBL-INIZCTEOSA-N 1 0 358.373 2.535 20 5 FFBDRO Cc1ccnc(OC2CC[NH+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC2)n1 ZINC001254605706 1040834849 /nfs/dbraw/zinc/83/48/49/1040834849.db2.gz CTKIZBCQUBNFCP-QGZVFWFLSA-N 1 0 354.410 2.704 20 5 FFBDRO Cc1cc(N([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C2CC[NH2+]CC2)nc(C)n1 ZINC001254606322 1040835124 /nfs/dbraw/zinc/83/51/24/1040835124.db2.gz GKFDBRZYTICOIX-IBGZPJMESA-N 1 0 367.453 2.727 20 5 FFBDRO O=C(C1CCCCC1)N1CCN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254609399 1040836591 /nfs/dbraw/zinc/83/65/91/1040836591.db2.gz WEAMZAGOWXISIM-IBGZPJMESA-N 1 0 357.454 2.787 20 5 FFBDRO COc1cc(N([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C2CC[NH2+]CC2)ccn1 ZINC001254610657 1040839655 /nfs/dbraw/zinc/83/96/55/1040839655.db2.gz MJEOQRIEAPEVSD-IBGZPJMESA-N 1 0 368.437 2.724 20 5 FFBDRO C[NH+]1CCN(c2ccc3[nH]c(Cc4ccccc4[N+](=O)[O-])nc3c2)CC1 ZINC001250617318 1041267176 /nfs/dbraw/zinc/26/71/76/1041267176.db2.gz SWGBTCKHWOZHJI-UHFFFAOYSA-N 1 0 351.410 2.814 20 5 FFBDRO COc1cc(-c2nc3c(cccc3N3CC[NH+](C)CC3)[nH]2)cc([N+](=O)[O-])c1 ZINC001250620603 1041268675 /nfs/dbraw/zinc/26/86/75/1041268675.db2.gz XSORKBPUQFMUNC-UHFFFAOYSA-N 1 0 367.409 2.899 20 5 FFBDRO Cc1ccc(F)cc1C[NH+]1CCC(C)(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001278608156 1041405751 /nfs/dbraw/zinc/40/57/51/1041405751.db2.gz XGKJQHTZCDAMRF-IAGOWNOFSA-N 1 0 363.433 2.518 20 5 FFBDRO O=C(CCc1cc(F)ccc1[N+](=O)[O-])N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001263108797 1042107700 /nfs/dbraw/zinc/10/77/00/1042107700.db2.gz HIEMSCRKCZUQSP-JKSUJKDBSA-N 1 0 363.433 2.905 20 5 FFBDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)Nc1ccc([N+](=O)[O-])c2ccccc12 ZINC001263653930 1042421275 /nfs/dbraw/zinc/42/12/75/1042421275.db2.gz MAXBBBAUXOQHRK-AWEZNQCLSA-N 1 0 371.441 2.505 20 5 FFBDRO C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNc2ccc([N+](=O)[O-])cc2F)C1 ZINC000702164210 1042884191 /nfs/dbraw/zinc/88/41/91/1042884191.db2.gz TWSRJNFLWYDWFG-KRWDZBQOSA-N 1 0 358.417 2.962 20 5 FFBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC001310506384 1043699036 /nfs/dbraw/zinc/69/90/36/1043699036.db2.gz CGRJJUPEKNIAFP-SNVBAGLBSA-N 1 0 357.208 2.573 20 5 FFBDRO CN(C)c1ccc([C@H](C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)N(C)C)cc1 ZINC000905702731 1043783553 /nfs/dbraw/zinc/78/35/53/1043783553.db2.gz GFGWQRPOIOURKC-PMACEKPBSA-N 1 0 372.469 2.587 20 5 FFBDRO CC[N@@H+]1CCN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[C@H](C)C1 ZINC001312638188 1044148151 /nfs/dbraw/zinc/14/81/51/1044148151.db2.gz PUNPQYZDONMPCJ-LLVKDONJSA-N 1 0 374.363 2.849 20 5 FFBDRO O=C1C[C@H]([N@@H+]2CC[C@H]3CCCC[C@H]3C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC001318012019 1045191443 /nfs/dbraw/zinc/19/14/43/1045191443.db2.gz AEBIYFKNEGHRDO-KEYYUXOJSA-N 1 0 357.410 2.739 20 5 FFBDRO C[C@H]([NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])C(=O)NCC(F)(F)F ZINC001319849756 1045285421 /nfs/dbraw/zinc/28/54/21/1045285421.db2.gz HUERXKPANAYQFY-SGMGOOAPSA-N 1 0 373.375 2.963 20 5 FFBDRO CS[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2Br)C[C@H]1[NH+](C)C ZINC001320533531 1045425163 /nfs/dbraw/zinc/42/51/63/1045425163.db2.gz MCDMGVCPGOKASQ-KGLIPLIRSA-N 1 0 374.304 2.835 20 5 FFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](CO)CC1CCOCC1 ZINC001321013958 1045513091 /nfs/dbraw/zinc/51/30/91/1045513091.db2.gz ARTNSAKABKHZGU-NVXWUHKLSA-N 1 0 350.459 2.931 20 5 FFBDRO O=C(Nc1ccc2cc([N+](=O)[O-])ccc2n1)c1ccn(-c2ccncc2)n1 ZINC001321172960 1045572931 /nfs/dbraw/zinc/57/29/31/1045572931.db2.gz ADQLRCXXAPINEE-UHFFFAOYSA-N 1 0 360.333 2.976 20 5 FFBDRO C[C@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC001539736327 1070689815 /nfs/dbraw/zinc/68/98/15/1070689815.db2.gz FAJOGNMFDFKJSX-KBPBESRZSA-N 1 0 367.421 2.834 20 5 FFBDRO CO[C@]1(C)C[C@H]([NH2+]CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1(C)C ZINC001324502113 1046068189 /nfs/dbraw/zinc/06/81/89/1046068189.db2.gz GEBFGUZLXARVFD-XJKSGUPXSA-N 1 0 355.822 2.980 20 5 FFBDRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC001324755089 1046206667 /nfs/dbraw/zinc/20/66/67/1046206667.db2.gz IMEPOXYMTIPWCJ-INIZCTEOSA-N 1 0 373.457 2.571 20 5 FFBDRO C[C@H](NC(=O)c1ccccc1N1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC001322798041 1046230175 /nfs/dbraw/zinc/23/01/75/1046230175.db2.gz ZINBYNVWLFVLBX-HNNXBMFYSA-N 1 0 368.437 2.838 20 5 FFBDRO O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001324939347 1046297724 /nfs/dbraw/zinc/29/77/24/1046297724.db2.gz GFJZCRIBKAAVAB-LBPRGKRZSA-N 1 0 357.332 2.924 20 5 FFBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)[C@@H]3CC34CCCC4)c2)CC1 ZINC001289293084 1047619692 /nfs/dbraw/zinc/61/96/92/1047619692.db2.gz XKMDPIPKQBRQEH-HNNXBMFYSA-N 1 0 358.442 2.865 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC001331329578 1047868306 /nfs/dbraw/zinc/86/83/06/1047868306.db2.gz JMHKTJCOOVIVFX-WFASDCNBSA-N 1 0 368.865 2.849 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(C[NH2+]CCN2CC[C@H](O)C2)o1 ZINC001331794565 1048114878 /nfs/dbraw/zinc/11/48/78/1048114878.db2.gz LYKDQZRUPWDLEV-ZDUSSCGKSA-N 1 0 365.817 2.664 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]Cc2cccc(Cl)c2F)c1 ZINC001331960236 1048187532 /nfs/dbraw/zinc/18/75/32/1048187532.db2.gz RRMMESAGJSSZEP-ZDUSSCGKSA-N 1 0 354.765 2.917 20 5 FFBDRO O=[N+]([O-])c1ccc(I)c(OC[C@H]2CCC[NH2+]C2)c1 ZINC001332135634 1048262054 /nfs/dbraw/zinc/26/20/54/1048262054.db2.gz LEMJVWXTEYZYNB-VIFPVBQESA-N 1 0 362.167 2.578 20 5 FFBDRO [NH3+][C@@]12CCC[C@@H]1CN(C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)C2 ZINC001328587084 1048368487 /nfs/dbraw/zinc/36/84/87/1048368487.db2.gz AJJUPGDTIHGACM-AUUYWEPGSA-N 1 0 358.442 2.539 20 5 FFBDRO CN1CC[C@@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)[C@H]1c1ccc(F)cc1 ZINC001332990947 1048661603 /nfs/dbraw/zinc/66/16/03/1048661603.db2.gz ANJQYOFGFFGLDT-NANBGGJNSA-N 1 0 359.405 2.669 20 5 FFBDRO O=C(c1csc(C2CC[NH2+]CC2)n1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001329651261 1048832489 /nfs/dbraw/zinc/83/24/89/1048832489.db2.gz HWGWNWHRIFGNLG-UHFFFAOYSA-N 1 0 372.450 2.717 20 5 FFBDRO Cc1ccc(F)c(C[NH2+]CC2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCCCC2)c1 ZINC001329818280 1048924446 /nfs/dbraw/zinc/92/44/46/1048924446.db2.gz HXVCURFEASWCTA-NVXWUHKLSA-N 1 0 363.433 2.708 20 5 FFBDRO Cc1cc(OCC(=O)N2CCC3(CC2)CC[NH+](C)CC3)ccc1[N+](=O)[O-] ZINC001330007848 1049002738 /nfs/dbraw/zinc/00/27/38/1049002738.db2.gz GGRBYOCFVSMYRT-UHFFFAOYSA-N 1 0 361.442 2.616 20 5 FFBDRO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CC[NH2+]CCC12CCC2 ZINC001333695981 1049060668 /nfs/dbraw/zinc/06/06/68/1049060668.db2.gz MPPSJHNAKZVVOX-UHFFFAOYSA-N 1 0 358.442 2.553 20 5 FFBDRO O=C([C@H](O)c1cccc([N+](=O)[O-])c1)N(CC[NH+]1CCCC1)c1ccccc1 ZINC001330573299 1049211750 /nfs/dbraw/zinc/21/17/50/1049211750.db2.gz YZAUZFRDNRVWNC-LJQANCHMSA-N 1 0 369.421 2.757 20 5 FFBDRO C[NH+]1CCC(n2cc(NC(=O)c3cccc([N+](=O)[O-])c3Cl)cn2)CC1 ZINC001330650279 1049248927 /nfs/dbraw/zinc/24/89/27/1049248927.db2.gz DFGLDUTURREZGN-UHFFFAOYSA-N 1 0 363.805 2.964 20 5 FFBDRO O=C(N[C@H]1CC2(CC[NH2+]CC2)Oc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC001341638860 1050264007 /nfs/dbraw/zinc/26/40/07/1050264007.db2.gz WWUIXWNEICEXAG-INIZCTEOSA-N 1 0 367.405 2.971 20 5 FFBDRO Cc1cc(-c2nnc(N3CCC([NH2+]C(C)C)CC3)n2C)cc([N+](=O)[O-])c1 ZINC001341687320 1050309427 /nfs/dbraw/zinc/30/94/27/1050309427.db2.gz BUHAFTNUYIKKRI-UHFFFAOYSA-N 1 0 358.446 2.666 20 5 FFBDRO O=C(Nc1ccc2c(c1)C[NH2+]CCO2)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001341785608 1050398264 /nfs/dbraw/zinc/39/82/64/1050398264.db2.gz CNLZEDUDOVKJGS-SJORKVTESA-N 1 0 353.378 2.819 20 5 FFBDRO O=C(Nc1ccc2c(c1)C[NH2+]CCO2)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001341785602 1050399434 /nfs/dbraw/zinc/39/94/34/1050399434.db2.gz CNLZEDUDOVKJGS-IRXDYDNUSA-N 1 0 353.378 2.819 20 5 FFBDRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3cc(C)cc([N+](=O)[O-])c3)n2C)C1 ZINC001340007514 1050418953 /nfs/dbraw/zinc/41/89/53/1050418953.db2.gz RMTSUAQDZCSRPX-OAHLLOKOSA-N 1 0 372.473 2.867 20 5 FFBDRO [NH3+]C[C@H]1Cc2ccccc2N(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])C1 ZINC001342319287 1050913870 /nfs/dbraw/zinc/91/38/70/1050913870.db2.gz WXEYIFZIJOEALA-CYBMUJFWSA-N 1 0 357.385 2.831 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@H](O)CC[C@@H](O)c1ccccc1)CC2 ZINC001340616653 1050997697 /nfs/dbraw/zinc/99/76/97/1050997697.db2.gz SEXMGEFSDAYFEO-WOJBJXKFSA-N 1 0 356.422 2.828 20 5 FFBDRO O=[N+]([O-])c1ccc(-n2ccc(-c3nc([C@H]4C[NH+]5CCC4CC5)no3)n2)cc1 ZINC001342547142 1051150568 /nfs/dbraw/zinc/15/05/68/1051150568.db2.gz SFDKUDZNQCPSSO-HNNXBMFYSA-N 1 0 366.381 2.640 20 5 FFBDRO CCn1c(-c2ccc([N+](=O)[O-])o2)nnc1N1CCC(CC)([NH+](C)C)CC1 ZINC001340878665 1051210441 /nfs/dbraw/zinc/21/04/41/1051210441.db2.gz OUJMOQBYMJOPDJ-UHFFFAOYSA-N 1 0 362.434 2.777 20 5 FFBDRO C[C@H]1[C@H](NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC001303802578 1051451763 /nfs/dbraw/zinc/45/17/63/1051451763.db2.gz ZLAZBNOHIFUZHB-CMPLNLGQSA-N 1 0 374.363 2.624 20 5 FFBDRO COc1cc(C(=O)N2C[C@@H](CC[NH3+])Cc3ccccc32)ccc1[N+](=O)[O-] ZINC001341258953 1051619116 /nfs/dbraw/zinc/61/91/16/1051619116.db2.gz MDVVAFPCLFGZPF-ZDUSSCGKSA-N 1 0 355.394 2.771 20 5 FFBDRO CCN(c1nnc([C@H](C)[N+](=O)[O-])n1C)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001341358505 1051718202 /nfs/dbraw/zinc/71/82/02/1051718202.db2.gz HAPLULUUIGCPAP-VYDXJSESSA-N 1 0 372.473 2.815 20 5 FFBDRO [NH3+]CC[C@@H]1Cc2ccccc2N(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC001341372841 1051732354 /nfs/dbraw/zinc/73/23/54/1051732354.db2.gz VQROPRDXCCETIF-CYBMUJFWSA-N 1 0 373.384 2.667 20 5 FFBDRO C[N@@H+]1CC[C@H](C(=O)NCCNc2ccccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC001306167685 1052050084 /nfs/dbraw/zinc/05/00/84/1052050084.db2.gz CUWAUGWMWKLLCK-LPHOPBHVSA-N 1 0 368.437 2.816 20 5 FFBDRO CNc1ccc(C(=O)N2CCC([C@@H]3CCC[NH2+]CC3)CC2)cc1[N+](=O)[O-] ZINC001345028395 1052206466 /nfs/dbraw/zinc/20/64/66/1052206466.db2.gz ZVKKZZQNWABPLV-CQSZACIVSA-N 1 0 360.458 2.878 20 5 FFBDRO Cc1c(Br)c(N[C@@H]2CC[C@@H]3C[N@@H+](C)C[C@@H]23)ncc1[N+](=O)[O-] ZINC001307233919 1052273787 /nfs/dbraw/zinc/27/37/87/1052273787.db2.gz JYEJXKOQCVHRQU-GMTAPVOTSA-N 1 0 355.236 2.813 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(Cc2nc([C@H]3C[C@@H]3C)no2)CC1 ZINC001307907544 1052365495 /nfs/dbraw/zinc/36/54/95/1052365495.db2.gz LNODCXIUDUUNCR-WFASDCNBSA-N 1 0 374.445 2.561 20 5 FFBDRO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1CCOc1ccc([N+](=O)[O-])cc1 ZINC001307938034 1052369718 /nfs/dbraw/zinc/36/97/18/1052369718.db2.gz HECZXVDSBMAXPX-QGZVFWFLSA-N 1 0 363.458 2.549 20 5 FFBDRO COC(=O)C[C@@](C)([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C1CC1 ZINC001308017082 1052384687 /nfs/dbraw/zinc/38/46/87/1052384687.db2.gz ROXXWDMARDVOLD-GOSISDBHSA-N 1 0 363.414 2.553 20 5 FFBDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001542822199 1071311530 /nfs/dbraw/zinc/31/15/30/1071311530.db2.gz RXONTEURCSWGMJ-UHFFFAOYSA-N 1 0 365.821 2.695 20 5 FFBDRO COc1ccc(NC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC001345728340 1052590971 /nfs/dbraw/zinc/59/09/71/1052590971.db2.gz USIUVIRSDUGWPT-CYBMUJFWSA-N 1 0 350.419 2.942 20 5 FFBDRO C[C@H](C1CC[NH+](C)CC1)N(C)c1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC001334973287 1053172398 /nfs/dbraw/zinc/17/23/98/1053172398.db2.gz MZJYUKFEIGCVHU-CYBMUJFWSA-N 1 0 358.442 2.613 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(C)cc1-c1noc(C(C)(C)CN2CCOCC2)n1 ZINC001335180554 1053247512 /nfs/dbraw/zinc/24/75/12/1053247512.db2.gz IOYLVDJXTIERIK-UHFFFAOYSA-N 1 0 360.414 2.871 20 5 FFBDRO CN1CC[NH+](C2CCN(c3cc(C(F)(F)F)ccc3[N+](=O)[O-])CC2)CC1 ZINC001336690932 1054141751 /nfs/dbraw/zinc/14/17/51/1054141751.db2.gz BNQFNZXIHKIWFE-UHFFFAOYSA-N 1 0 372.391 2.830 20 5 FFBDRO CC(C)(C)[NH+]1CCN(Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)CC1 ZINC001337206462 1054556707 /nfs/dbraw/zinc/55/67/07/1054556707.db2.gz RVOSXEZCOGIQMZ-UHFFFAOYSA-N 1 0 351.838 2.972 20 5 FFBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)[C@H]3Cc4ccccc43)c2)CC1 ZINC001337580403 1054863702 /nfs/dbraw/zinc/86/37/02/1054863702.db2.gz PKEAULZZNIGVAO-KRWDZBQOSA-N 1 0 366.421 2.625 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)CCOc3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC001337907110 1055094822 /nfs/dbraw/zinc/09/48/22/1055094822.db2.gz KJZFSGYARXTGCC-HRCADAONSA-N 1 0 361.442 2.552 20 5 FFBDRO CN(C)C[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC001338447961 1055523228 /nfs/dbraw/zinc/52/32/28/1055523228.db2.gz GDFQTPRJGMYKBX-KRWDZBQOSA-N 1 0 374.416 2.955 20 5 FFBDRO C[C@@H](C(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-])c1ccco1 ZINC001349896393 1055526952 /nfs/dbraw/zinc/52/69/52/1055526952.db2.gz PZJCBPVWCHPNFG-CYBMUJFWSA-N 1 0 358.398 2.682 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]Cc2cccc(N3CC=CC3)c2)c1 ZINC001356532478 1055560039 /nfs/dbraw/zinc/56/00/39/1055560039.db2.gz KTBWJWNDHLFBBN-IBGZPJMESA-N 1 0 369.421 2.501 20 5 FFBDRO C[C@@H](CNC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1)c1ccccc1[N+](=O)[O-] ZINC001338754162 1055786869 /nfs/dbraw/zinc/78/68/69/1055786869.db2.gz HPENVIYDEZLKSJ-GOEBONIOSA-N 1 0 360.458 2.729 20 5 FFBDRO CC[NH+](CC)C1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)CC1 ZINC001353002829 1056005476 /nfs/dbraw/zinc/00/54/76/1056005476.db2.gz GSYXOOQIVSDIAH-UHFFFAOYSA-N 1 0 360.458 2.798 20 5 FFBDRO Cc1c(CC(=O)NC2CCN(c3cc[nH+]cc3)CC2)cccc1[N+](=O)[O-] ZINC001339231962 1056229675 /nfs/dbraw/zinc/22/96/75/1056229675.db2.gz UTPLBBSCOBZGPC-UHFFFAOYSA-N 1 0 354.410 2.626 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC001544296743 1071624029 /nfs/dbraw/zinc/62/40/29/1071624029.db2.gz FWSPIJRISFMBLC-KRWDZBQOSA-N 1 0 368.437 2.940 20 5 FFBDRO CC[N@@H+]1CCCN(c2nnc(C(C)(C)c3ccc([N+](=O)[O-])cc3)n2C)CC1 ZINC001339377092 1056389624 /nfs/dbraw/zinc/38/96/24/1056389624.db2.gz UVYOPVVQKCSAJO-UHFFFAOYSA-N 1 0 372.473 2.581 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2ccn(-c3cc[nH+]cc3)n2)c1 ZINC000540624931 1056970506 /nfs/dbraw/zinc/97/05/06/1056970506.db2.gz DFFAGLRVNRFDQJ-UHFFFAOYSA-N 1 0 367.365 2.892 20 5 FFBDRO C[NH+](C)C[C@H]1CCCN1C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001443214486 1058188212 /nfs/dbraw/zinc/18/82/12/1058188212.db2.gz ISFCKZQWOSSYFB-OAHLLOKOSA-N 1 0 354.410 2.823 20 5 FFBDRO C[N@H+](CCc1cccc(NC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)c1)C1CC1 ZINC001446972926 1058578894 /nfs/dbraw/zinc/57/88/94/1058578894.db2.gz LBHGJCDBEIEJFX-IBGZPJMESA-N 1 0 369.421 2.904 20 5 FFBDRO CC[N@H+](C)[C@H]1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC001472448595 1058650132 /nfs/dbraw/zinc/65/01/32/1058650132.db2.gz OGKIZJRUDVHILA-LBPRGKRZSA-N 1 0 356.220 2.524 20 5 FFBDRO CC(C)C[C@H](C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)n1ccnc1 ZINC001448547135 1058788316 /nfs/dbraw/zinc/78/83/16/1058788316.db2.gz DBEFQQCGCPEDPC-OAHLLOKOSA-N 1 0 356.386 2.571 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C[C@H]1C ZINC001520129937 1059417037 /nfs/dbraw/zinc/41/70/37/1059417037.db2.gz XEIZKAUHCJOMQZ-CHWSQXEVSA-N 1 0 350.419 2.940 20 5 FFBDRO C[C@@H](C(=O)N1CC[NH2+][C@H](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC001454584335 1059574380 /nfs/dbraw/zinc/57/43/80/1059574380.db2.gz VYWPYWPAARYBCV-CRAIPNDOSA-N 1 0 353.422 2.741 20 5 FFBDRO Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)Cc3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC001455007862 1059669239 /nfs/dbraw/zinc/66/92/39/1059669239.db2.gz DQKRHNYIDWQFAP-SFHVURJKSA-N 1 0 353.422 2.836 20 5 FFBDRO Nc1nccc(C(=O)Nc2ccc(C[NH+]3CCCCC3)cc2)c1[N+](=O)[O-] ZINC001455122974 1059700167 /nfs/dbraw/zinc/70/01/67/1059700167.db2.gz QFBXYGIFRYNMHK-UHFFFAOYSA-N 1 0 355.398 2.810 20 5 FFBDRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)OC ZINC001515868545 1059854673 /nfs/dbraw/zinc/85/46/73/1059854673.db2.gz MZSXFERPPYVVHY-INIZCTEOSA-N 1 0 374.445 2.725 20 5 FFBDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC001516858511 1060252338 /nfs/dbraw/zinc/25/23/38/1060252338.db2.gz QYHYYGSMXAUCTL-INIZCTEOSA-N 1 0 363.458 2.785 20 5 FFBDRO CC(C)[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001457091762 1060274595 /nfs/dbraw/zinc/27/45/95/1060274595.db2.gz ZOVWMKGFIARFCA-WMLDXEAASA-N 1 0 371.441 2.806 20 5 FFBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)C1 ZINC000848587282 1060316667 /nfs/dbraw/zinc/31/66/67/1060316667.db2.gz HRZGHRMPGHHNDO-ZDUSSCGKSA-N 1 0 371.384 2.757 20 5 FFBDRO C[N@H+](CCn1nnc(-c2ccccc2[N+](=O)[O-])n1)Cc1ccc(F)cc1 ZINC001459288074 1060737889 /nfs/dbraw/zinc/73/78/89/1060737889.db2.gz GVVOUOPYPFCVEC-UHFFFAOYSA-N 1 0 356.361 2.519 20 5 FFBDRO COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC001460098107 1060896294 /nfs/dbraw/zinc/89/62/94/1060896294.db2.gz VBNCPEWYTIFBLQ-BEFAXECRSA-N 1 0 372.421 2.984 20 5 FFBDRO COc1ccc(CNc2cccc(CN3CC[NH+](C)CC3)c2)cc1[N+](=O)[O-] ZINC001461095299 1061210856 /nfs/dbraw/zinc/21/08/56/1061210856.db2.gz BBMSTWRPAULGOA-UHFFFAOYSA-N 1 0 370.453 2.963 20 5 FFBDRO C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1N)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001546208133 1061310688 /nfs/dbraw/zinc/31/06/88/1061310688.db2.gz GMCQQGRNPUGWEX-HOCLYGCPSA-N 1 0 368.437 2.817 20 5 FFBDRO C[S@](=O)C1(C[NH2+]Cc2c(Br)cccc2[N+](=O)[O-])CCC1 ZINC001461460582 1061323843 /nfs/dbraw/zinc/32/38/43/1061323843.db2.gz HKKXSMVOMIWWDB-FQEVSTJZSA-N 1 0 361.261 2.748 20 5 FFBDRO O=C(COc1ccccc1[N+](=O)[O-])NC[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC001462244072 1061552084 /nfs/dbraw/zinc/55/20/84/1061552084.db2.gz NPSQZQWZGIKGDU-INIZCTEOSA-N 1 0 361.442 2.887 20 5 FFBDRO COc1cccc([C@H](CO)[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000766165703 1061665601 /nfs/dbraw/zinc/66/56/01/1061665601.db2.gz XUGMSTJQZAAGJQ-FQEVSTJZSA-N 1 0 371.437 2.895 20 5 FFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cc(C2CC2)n(C)n1 ZINC001462600662 1061687357 /nfs/dbraw/zinc/68/73/57/1061687357.db2.gz AJNSEBYNQFMPRB-LBPRGKRZSA-N 1 0 357.414 2.713 20 5 FFBDRO CC[C@@](O)(CCC(F)(F)F)C[NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC001462616202 1061694116 /nfs/dbraw/zinc/69/41/16/1061694116.db2.gz DIARIHJDMSFBBB-CQSZACIVSA-N 1 0 366.336 2.882 20 5 FFBDRO C[N@@H+]1CCCC[C@@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC001463220333 1061999392 /nfs/dbraw/zinc/99/93/92/1061999392.db2.gz CJJYELZTXFTOEU-CYBMUJFWSA-N 1 0 370.247 2.500 20 5 FFBDRO CC[NH+](CC)CC[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC001464867946 1062884498 /nfs/dbraw/zinc/88/44/98/1062884498.db2.gz UDGDNLZAZLMOQD-LLVKDONJSA-N 1 0 363.867 2.647 20 5 FFBDRO O=C(NCCC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001495516280 1063503497 /nfs/dbraw/zinc/50/34/97/1063503497.db2.gz BMWXQZFEDLKZPI-IAGOWNOFSA-N 1 0 365.861 2.724 20 5 FFBDRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC001468522688 1063999278 /nfs/dbraw/zinc/99/92/78/1063999278.db2.gz UFEKRRBWKQBLEI-INIZCTEOSA-N 1 0 362.474 2.658 20 5 FFBDRO CC1(C)CC[N@H+](CCNC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001469560700 1064168158 /nfs/dbraw/zinc/16/81/58/1064168158.db2.gz YPKNGPPOFCHVGR-UHFFFAOYSA-N 1 0 368.865 2.822 20 5 FFBDRO CC(C)(C(=O)Nc1ccnc([C@@H]2CCC[NH2+]2)n1)c1ccccc1[N+](=O)[O-] ZINC001575096337 1078106034 /nfs/dbraw/zinc/10/60/34/1078106034.db2.gz ANYMOTMNPZLWNH-ZDUSSCGKSA-N 1 0 355.398 2.726 20 5 FFBDRO C[C@@H](C[NH2+]Cc1cccc(F)c1-c1nn[nH]n1)c1ccccc1[N+](=O)[O-] ZINC001575115103 1078107896 /nfs/dbraw/zinc/10/78/96/1078107896.db2.gz UNHQQTJHAKTMLS-NSHDSACASA-N 1 0 356.361 2.807 20 5 FFBDRO CC(C)(NC(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC001575379864 1078135043 /nfs/dbraw/zinc/13/50/43/1078135043.db2.gz FRRKLRJVFVTLOD-IAGOWNOFSA-N 1 0 354.410 2.754 20 5 FFBDRO CC(C)(NC(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH3+])c1ccccc1[N+](=O)[O-] ZINC001575380062 1078134827 /nfs/dbraw/zinc/13/48/27/1078134827.db2.gz GCHDTEOGMQKSOP-NVXWUHKLSA-N 1 0 354.410 2.754 20 5 FFBDRO CC(C)[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001472330771 1065019463 /nfs/dbraw/zinc/01/94/63/1065019463.db2.gz KTRNDBIGKIBJNZ-IRXDYDNUSA-N 1 0 363.433 2.998 20 5 FFBDRO CC(C)Cc1nnc(N(C)Cc2ccccc2[N+](=O)[O-])n1C[C@@H]1CCC[NH2+]1 ZINC001575653252 1078160336 /nfs/dbraw/zinc/16/03/36/1078160336.db2.gz CIJBMTALFYKFGG-INIZCTEOSA-N 1 0 372.473 2.773 20 5 FFBDRO CC(C)Oc1ccc(CNC(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)cc1 ZINC001575806431 1078169048 /nfs/dbraw/zinc/16/90/48/1078169048.db2.gz ILNQLJPHTYLXRV-LJQANCHMSA-N 1 0 357.410 2.872 20 5 FFBDRO O=[N+]([O-])c1ccc2ncnc(N3CC[NH2+][C@@H](Cc4ccc(F)cc4)C3)c2c1 ZINC001472907046 1065172620 /nfs/dbraw/zinc/17/26/20/1065172620.db2.gz YKLZSRFBFIIGLN-HNNXBMFYSA-N 1 0 367.384 2.698 20 5 FFBDRO C[C@]([NH3+])(C(=O)N[C@@H]1CCOc2c(F)cccc21)c1cccc([N+](=O)[O-])c1 ZINC001576081688 1078194118 /nfs/dbraw/zinc/19/41/18/1078194118.db2.gz OFSAIDRJSHNCRC-CRAIPNDOSA-N 1 0 359.357 2.548 20 5 FFBDRO C[C@H]([NH3+])[C@@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2[C@H]2C[C@H]2C)C1 ZINC001576121012 1078198354 /nfs/dbraw/zinc/19/83/54/1078198354.db2.gz ZKNHFFCTPFSMMI-CXUGXGMPSA-N 1 0 370.457 2.998 20 5 FFBDRO Cc1cccnc1[C@H](C)[NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC001473879543 1065402889 /nfs/dbraw/zinc/40/28/89/1065402889.db2.gz QOCFHVWLPPKLPS-ZDUSSCGKSA-N 1 0 356.382 2.947 20 5 FFBDRO CN(c1ccccc1)c1ccc(C[NH2+][C@H](CO)[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC001474094108 1065455023 /nfs/dbraw/zinc/45/50/23/1065455023.db2.gz GMNTVZKDPCSEAI-FUHWJXTLSA-N 1 0 371.437 2.850 20 5 FFBDRO C[N@@H+]1C[C@@H]2CC[C@H](NCc3c(Br)cccc3[N+](=O)[O-])[C@H]2C1 ZINC001474303324 1065489603 /nfs/dbraw/zinc/48/96/03/1065489603.db2.gz XNAXUKMPBYDCHP-JKOKRWQUSA-N 1 0 354.248 2.787 20 5 FFBDRO COC(=O)[C@]1(C[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCOC1 ZINC001474758788 1065597892 /nfs/dbraw/zinc/59/78/92/1065597892.db2.gz RQICXFWYFLWTNR-AWEZNQCLSA-N 1 0 363.197 2.571 20 5 FFBDRO C[C@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2Br)[C@@H]1C[NH3+] ZINC001576705826 1078263038 /nfs/dbraw/zinc/26/30/38/1078263038.db2.gz WHIPGTYDLZLBBO-JOYOIKCWSA-N 1 0 356.220 2.557 20 5 FFBDRO CC[C@]1(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)CC[NH2+]C1 ZINC001577201604 1078316744 /nfs/dbraw/zinc/31/67/44/1078316744.db2.gz MQRDSBLXVCGCDQ-AWEZNQCLSA-N 1 0 356.220 2.994 20 5 FFBDRO C[NH2+][C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC2(C)CC2)C1 ZINC001578610007 1078502084 /nfs/dbraw/zinc/50/20/84/1078502084.db2.gz DFZITBYENXNIDW-OAHLLOKOSA-N 1 0 370.457 2.842 20 5 FFBDRO C[NH2+]CCc1ccccc1C(=O)OCc1ccc(N(C)C)c([N+](=O)[O-])c1 ZINC001578715846 1078521948 /nfs/dbraw/zinc/52/19/48/1078521948.db2.gz LOORFQWNLPOREQ-UHFFFAOYSA-N 1 0 357.410 2.780 20 5 FFBDRO C[NH+](C)[C@H](CNc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC001578962594 1078554770 /nfs/dbraw/zinc/55/47/70/1078554770.db2.gz ULFQLPFCHNNUNH-OAHLLOKOSA-N 1 0 371.376 2.629 20 5 FFBDRO Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001579828008 1078693294 /nfs/dbraw/zinc/69/32/94/1078693294.db2.gz YIJYFIBMDXJNIB-CJNGLKHVSA-N 1 0 357.414 2.515 20 5 FFBDRO [NH3+][C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2Cl)CC[C@H]1C(F)(F)F ZINC001580208403 1078766033 /nfs/dbraw/zinc/76/60/33/1078766033.db2.gz RDKXVCLBPJUGKK-BDAKNGLRSA-N 1 0 351.712 2.600 20 5 FFBDRO [NH3+][C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2Cl)CC[C@H]1C(F)(F)F ZINC001580208407 1078766287 /nfs/dbraw/zinc/76/62/87/1078766287.db2.gz RDKXVCLBPJUGKK-RKDXNWHRSA-N 1 0 351.712 2.600 20 5 FFBDRO O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)NC[C@H]1[NH2+]CCc2ccccc21 ZINC001580569969 1078827724 /nfs/dbraw/zinc/82/77/24/1078827724.db2.gz JFUKCBXPCGHMAD-MRXNPFEDSA-N 1 0 359.813 2.794 20 5 FFBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)c1coc([C@@H]2CCC[NH2+]2)n1 ZINC001580710894 1078850781 /nfs/dbraw/zinc/85/07/81/1078850781.db2.gz HOHQVJNUAPQMQI-LBPRGKRZSA-N 1 0 350.762 2.591 20 5 FFBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001556325288 1075730406 /nfs/dbraw/zinc/73/04/06/1075730406.db2.gz ZZFTUROVNJTNSV-UXHICEINSA-N 1 0 367.449 2.941 20 5 FFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC001557740128 1075882835 /nfs/dbraw/zinc/88/28/35/1075882835.db2.gz DIGIGJPETBVUMM-KKXDTOCCSA-N 1 0 363.483 2.876 20 5 FFBDRO COc1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C)cc3)C2)ccc1[N+](=O)[O-] ZINC001558018205 1075928843 /nfs/dbraw/zinc/92/88/43/1075928843.db2.gz ATPFKTLZMOSSJH-QGZVFWFLSA-N 1 0 369.421 2.916 20 5 FFBDRO CC1CC[NH+](CCCNc2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])CC1 ZINC001559055813 1076121337 /nfs/dbraw/zinc/12/13/37/1076121337.db2.gz DSJCQJCOMCSGNR-UHFFFAOYSA-N 1 0 358.442 2.981 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC001559102559 1076126231 /nfs/dbraw/zinc/12/62/31/1076126231.db2.gz VQBKFXMZTGQVIX-LLVKDONJSA-N 1 0 353.806 2.931 20 5 FFBDRO C[C@@H]1CN(c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC001559166979 1076131666 /nfs/dbraw/zinc/13/16/66/1076131666.db2.gz LUQQZTQCEYJPDL-LLVKDONJSA-N 1 0 361.364 2.895 20 5 FFBDRO O=[N+]([O-])c1ncccc1N1CCC[N@H+](Cc2ccccc2)CCOCC1 ZINC001559290651 1076146576 /nfs/dbraw/zinc/14/65/76/1076146576.db2.gz XCNLFUKGRZQPBU-UHFFFAOYSA-N 1 0 356.426 2.719 20 5 FFBDRO C[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC1CCCCCC1 ZINC001559918201 1076201989 /nfs/dbraw/zinc/20/19/89/1076201989.db2.gz DICIQRVRFBXVDN-UHFFFAOYSA-N 1 0 369.487 2.775 20 5 FFBDRO CCOC(=O)c1c[nH]nc1[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC001560034810 1076215239 /nfs/dbraw/zinc/21/52/39/1076215239.db2.gz DUDWVKYZRYCSQJ-AWEZNQCLSA-N 1 0 358.398 2.793 20 5 FFBDRO C[N@@H+]1CC[C@@H]2CN(Cc3cc([N+](=O)[O-])ccc3Br)CC[C@H]21 ZINC001560077421 1076222697 /nfs/dbraw/zinc/22/26/97/1076222697.db2.gz KRUCUCPVRVOOQV-IAQYHMDHSA-N 1 0 354.248 2.883 20 5 FFBDRO CC[N@H+](CCn1cc([N+](=O)[O-])cn1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001560226200 1076251097 /nfs/dbraw/zinc/25/10/97/1076251097.db2.gz MVJXLCFXRBLBOI-UHFFFAOYSA-N 1 0 367.450 2.513 20 5 FFBDRO COc1cc(C[NH2+]CCN(C)Cc2ccc(F)cc2)c([N+](=O)[O-])cc1O ZINC001560367431 1076268389 /nfs/dbraw/zinc/26/83/89/1076268389.db2.gz KRDMRXXOTMQQHC-UHFFFAOYSA-N 1 0 363.389 2.670 20 5 FFBDRO CNc1ccc(C)cc1C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC001560435116 1076273383 /nfs/dbraw/zinc/27/33/83/1076273383.db2.gz XBUGZVWLYQNHHO-UHFFFAOYSA-N 1 0 363.439 2.508 20 5 FFBDRO CCSC1(C[NH2+]Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)CC1 ZINC001560541539 1076279140 /nfs/dbraw/zinc/27/91/40/1076279140.db2.gz ZFZZUDMCCTXLAS-UHFFFAOYSA-N 1 0 354.428 2.522 20 5 FFBDRO C[NH2+]C1(CNC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)CCC1 ZINC001562727779 1076513706 /nfs/dbraw/zinc/51/37/06/1076513706.db2.gz LPXLUOHZTATJRF-UHFFFAOYSA-N 1 0 371.235 2.929 20 5 FFBDRO C[NH+](C)C1CCC2(CC1)CCN(C(=O)c1ccc([N+](=O)[O-])cc1N)CC2 ZINC001569627519 1077156456 /nfs/dbraw/zinc/15/64/56/1077156456.db2.gz SHBUEJGMOUXUBA-UHFFFAOYSA-N 1 0 360.458 2.904 20 5 FFBDRO C[C@@H](Cc1cccs1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001589902500 1080852022 /nfs/dbraw/zinc/85/20/22/1080852022.db2.gz GLOABVVTFJAUTK-NSHDSACASA-N 1 0 358.427 2.899 20 5 FFBDRO C[C@@H](Nc1cc(-c2nn[nH]n2)ccc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001589978295 1080917481 /nfs/dbraw/zinc/91/74/81/1080917481.db2.gz MCVLCTFSSBJPEB-OCCSQVGLSA-N 1 0 371.445 2.840 20 5 FFBDRO C[C@@H](Nc1cc(-c2nn[nH]n2)sc1[N+](=O)[O-])[C@@H](c1ccccc1)[NH+](C)C ZINC001589980979 1080920037 /nfs/dbraw/zinc/92/00/37/1080920037.db2.gz RUPHYPNWYXIRTA-YGRLFVJLSA-N 1 0 373.442 2.940 20 5 FFBDRO CCC[N@H+](C)C[C@@H]1CCN(Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000093742183 250045376 /nfs/dbraw/zinc/04/53/76/250045376.db2.gz LSRJPHJNDSSDIB-AWEZNQCLSA-N 1 0 351.447 2.776 20 5 FFBDRO CC(C)[N@H+](C)CCNc1ccc(I)cc1[N+](=O)[O-] ZINC000097347881 250064133 /nfs/dbraw/zinc/06/41/33/250064133.db2.gz DQBGQEPVWNXTHT-UHFFFAOYSA-N 1 0 363.199 2.952 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000093907164 250049662 /nfs/dbraw/zinc/04/96/62/250049662.db2.gz DVEZCVFXPLQWDZ-MRXNPFEDSA-N 1 0 363.458 2.607 20 5 FFBDRO COc1ccc(C[NH2+]CC2(N3CCOCC3)CCCCC2)cc1[N+](=O)[O-] ZINC000106465776 250271750 /nfs/dbraw/zinc/27/17/50/250271750.db2.gz AKHGYGAXAKNBSX-UHFFFAOYSA-N 1 0 363.458 2.728 20 5 FFBDRO O=C(N[C@H]1CCC[NH2+]C1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000120375503 250580668 /nfs/dbraw/zinc/58/06/68/250580668.db2.gz WEMMXWZGEAEQPZ-INIZCTEOSA-N 1 0 354.410 2.689 20 5 FFBDRO [NH3+]C1CCC(NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000131792404 251019794 /nfs/dbraw/zinc/01/97/94/251019794.db2.gz PAYPJXRPRQOFIR-UHFFFAOYSA-N 1 0 374.363 2.802 20 5 FFBDRO O=C(CN1CC[C@H]([NH+]2CCCCC2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000264629097 251329136 /nfs/dbraw/zinc/32/91/36/251329136.db2.gz TVPDWKABYCLIPV-AWEZNQCLSA-N 1 0 366.849 2.747 20 5 FFBDRO CN(C(=O)c1cccc([N+](=O)[O-])c1N)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000268762097 251375940 /nfs/dbraw/zinc/37/59/40/251375940.db2.gz VXVQZUPDSLNRKU-HNNXBMFYSA-N 1 0 354.410 2.524 20 5 FFBDRO C[NH+]1CCC([C@H]2CCN(C(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)C2)CC1 ZINC000270268463 251506719 /nfs/dbraw/zinc/50/67/19/251506719.db2.gz SVGZHMCYOFMFOS-INIZCTEOSA-N 1 0 372.469 2.973 20 5 FFBDRO CC[C@H](CCO)C[NH2+]Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000272465532 252046221 /nfs/dbraw/zinc/04/62/21/252046221.db2.gz RCZLCBDLPDXCCF-LLVKDONJSA-N 1 0 362.373 2.746 20 5 FFBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)[C@@H]2C1 ZINC000272496051 252053530 /nfs/dbraw/zinc/05/35/30/252053530.db2.gz VCVCVOZYXSYEMY-GXFFZTMASA-N 1 0 370.356 2.754 20 5 FFBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)CCOc3ccc(Cl)cc3[N+](=O)[O-])[C@H]2C1 ZINC000272671395 252098284 /nfs/dbraw/zinc/09/82/84/252098284.db2.gz TXMRMUWAYZAQBB-DOMZBBRYSA-N 1 0 367.833 2.570 20 5 FFBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3Br)[C@@H]2C1 ZINC000272697276 252106174 /nfs/dbraw/zinc/10/61/74/252106174.db2.gz YATUKULQLRCZTN-QMTHXVAHSA-N 1 0 368.231 2.524 20 5 FFBDRO CS[C@@H]1CN(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)C[C@@H]1[NH+](C)C ZINC000272625306 252084858 /nfs/dbraw/zinc/08/48/58/252084858.db2.gz VPHMIHHSDDZAOR-UONOGXRCSA-N 1 0 352.460 2.721 20 5 FFBDRO Cc1cc(N2CCC(c3nncn3C)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272886311 252157675 /nfs/dbraw/zinc/15/76/75/252157675.db2.gz WSOCYOIURGHIHC-UHFFFAOYSA-N 1 0 352.398 2.964 20 5 FFBDRO COc1ccccc1[C@@H]1CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000273397643 252298215 /nfs/dbraw/zinc/29/82/15/252298215.db2.gz VVFOXDGKIUVCOQ-CVEARBPZSA-N 1 0 372.421 2.833 20 5 FFBDRO CC[NH+](CC)CCNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000047705232 208382382 /nfs/dbraw/zinc/38/23/82/208382382.db2.gz MQWCFQFMVIYQAD-UHFFFAOYSA-N 1 0 363.336 2.608 20 5 FFBDRO C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1nc2ccccc2n1C(F)F ZINC000275509011 256017868 /nfs/dbraw/zinc/01/78/68/256017868.db2.gz WTGLYMMEUVYUTQ-JTQLQIEISA-N 1 0 350.329 2.887 20 5 FFBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCCN(S(=O)(=O)C3CC3)C2)cccc1[N+](=O)[O-] ZINC000285751423 257003008 /nfs/dbraw/zinc/00/30/08/257003008.db2.gz RZQUCQZSNKKBGC-UONOGXRCSA-N 1 0 367.471 2.510 20 5 FFBDRO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@H+](Cc4ccc(F)cn4)CC3)nc2c1 ZINC000276166631 256078098 /nfs/dbraw/zinc/07/80/98/256078098.db2.gz DUGADWIAIIAXTC-UHFFFAOYSA-N 1 0 370.388 2.718 20 5 FFBDRO CCOc1cc(CN2CC[NH+](CC3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000276890409 256140291 /nfs/dbraw/zinc/14/02/91/256140291.db2.gz JXTYLMGICFMOSE-UHFFFAOYSA-N 1 0 363.458 2.538 20 5 FFBDRO CCOc1cc(C[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)ccc1[N+](=O)[O-] ZINC000276900769 256141344 /nfs/dbraw/zinc/14/13/44/256141344.db2.gz LTOLOEDAHQMWRL-HNNXBMFYSA-N 1 0 371.441 2.911 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000277571358 256212328 /nfs/dbraw/zinc/21/23/28/256212328.db2.gz OACRNYQVYVVPIY-OAHLLOKOSA-N 1 0 363.458 2.751 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H]2CCCc3occc32)cc1 ZINC000278639223 256333584 /nfs/dbraw/zinc/33/35/84/256333584.db2.gz HJTANAYQTZSFGL-HNNXBMFYSA-N 1 0 350.396 2.629 20 5 FFBDRO CC[NH+](CC)[C@H](CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N)c1ccco1 ZINC000279135293 256385598 /nfs/dbraw/zinc/38/55/98/256385598.db2.gz CLINYKVRYNZOBH-OAHLLOKOSA-N 1 0 364.377 2.722 20 5 FFBDRO O=C(CN1CC[C@@H](CC(F)(F)F)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000278805470 256349979 /nfs/dbraw/zinc/34/99/79/256349979.db2.gz OWQSYDXFTYCLLC-NSHDSACASA-N 1 0 357.332 2.758 20 5 FFBDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1c1ccc([N+](=O)[O-])c2cnccc21 ZINC000278806518 256349996 /nfs/dbraw/zinc/34/99/96/256349996.db2.gz OBKGORQKFVBTOA-CQSZACIVSA-N 1 0 356.426 2.833 20 5 FFBDRO [NH3+]CC[C@H]1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 ZINC000282046435 256686850 /nfs/dbraw/zinc/68/68/50/256686850.db2.gz VCFSYLNYTWLCOS-SECBINFHSA-N 1 0 374.210 2.697 20 5 FFBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000285568313 256992982 /nfs/dbraw/zinc/99/29/82/256992982.db2.gz NPORACAFCXIRJX-CJNGLKHVSA-N 1 0 357.414 2.703 20 5 FFBDRO CCS[C@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000286030637 257016969 /nfs/dbraw/zinc/01/69/69/257016969.db2.gz HWHDMHGNJTXDCE-BONVTDFDSA-N 1 0 367.427 2.526 20 5 FFBDRO Cc1noc([C@@H]2CCCN2CCC(=O)Nc2cccc([N+](=O)[O-])c2C)n1 ZINC000286157858 257022881 /nfs/dbraw/zinc/02/28/81/257022881.db2.gz PSFOZIJIRKPYMP-HNNXBMFYSA-N 1 0 359.386 2.760 20 5 FFBDRO CO[C@@H]1[C@H]2C[C@H]3C[N@H+](CCC(=O)Nc4cccc([N+](=O)[O-])c4C)[C@H]1[C@H]3C2 ZINC000286597362 257044811 /nfs/dbraw/zinc/04/48/11/257044811.db2.gz QWENXVPZSBEMTG-PRRIXCOJSA-N 1 0 359.426 2.587 20 5 FFBDRO O=[N+]([O-])c1cc2c(ncnc2NC2CC[NH+](C[C@@H]3CCOC3)CC2)s1 ZINC000287404886 257087718 /nfs/dbraw/zinc/08/77/18/257087718.db2.gz SLFRQEFEQFEKNX-NSHDSACASA-N 1 0 363.443 2.512 20 5 FFBDRO C[NH+](C)CCCOC1CCN(c2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000288368845 257180510 /nfs/dbraw/zinc/18/05/10/257180510.db2.gz LBOJEMCNLXQXAH-UHFFFAOYSA-N 1 0 365.459 2.537 20 5 FFBDRO C[C@H]([NH2+]C[C@@](C)(O)CNC(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000289378074 257277399 /nfs/dbraw/zinc/27/73/99/257277399.db2.gz PCNPQZYPIJWSLF-YVEFUNNKSA-N 1 0 353.419 2.521 20 5 FFBDRO Cc1cnn([C@H]2CCN(Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)C2)c1 ZINC000289950472 257308046 /nfs/dbraw/zinc/30/80/46/257308046.db2.gz QDJXXHQQOVTENL-HNNXBMFYSA-N 1 0 354.370 2.597 20 5 FFBDRO COc1cc(C[NH2+]C[C@]2(CO)C[C@@H]2c2ccccc2)c([N+](=O)[O-])cc1O ZINC000289979808 257309546 /nfs/dbraw/zinc/30/95/46/257309546.db2.gz WULFQVDNYBIHKK-BEFAXECRSA-N 1 0 358.394 2.565 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C)[C@@H](C)C1 ZINC000290044465 257312833 /nfs/dbraw/zinc/31/28/33/257312833.db2.gz ZYIJXYFLNIGFKA-BBRMVZONSA-N 1 0 358.446 2.557 20 5 FFBDRO Cc1cnn([C@H]2CC[N@@H+](Cc3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000290926144 257365328 /nfs/dbraw/zinc/36/53/28/257365328.db2.gz OMCGSBAWGAUJME-SFHVURJKSA-N 1 0 366.425 2.947 20 5 FFBDRO CC1CC[NH+](C2CCC(Nc3nccc(C(N)=O)c3[N+](=O)[O-])CC2)CC1 ZINC000290951920 257367598 /nfs/dbraw/zinc/36/75/98/257367598.db2.gz MYNWJLWONGAZLY-UHFFFAOYSA-N 1 0 361.446 2.544 20 5 FFBDRO C[C@@H]([NH2+][C@H](CO)Cc1c[nH]c2ccccc12)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293572190 257552180 /nfs/dbraw/zinc/55/21/80/257552180.db2.gz DNZYDBVAPGOGQC-DOMZBBRYSA-N 1 0 354.410 2.913 20 5 FFBDRO Cn1cc(CN2CC[C@]3(C2)CCC[N@H+](C)C3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000293609981 257554088 /nfs/dbraw/zinc/55/40/88/257554088.db2.gz JXNZFVRREYGQNB-HXUWFJFHSA-N 1 0 369.469 2.913 20 5 FFBDRO CC(C)(CO)[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CC1 ZINC000293106417 257531936 /nfs/dbraw/zinc/53/19/36/257531936.db2.gz QPTYZZWRVXYJDG-HNNXBMFYSA-N 1 0 355.822 2.573 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000296262974 257688523 /nfs/dbraw/zinc/68/85/23/257688523.db2.gz OFVZXKUHFOYFDO-ZTFGCOKTSA-N 1 0 359.426 2.779 20 5 FFBDRO [NH3+][C@H]1CCCC[C@H]1CC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000296751065 257744738 /nfs/dbraw/zinc/74/47/38/257744738.db2.gz KJQIVNVNRSXHHT-KSSFIOAISA-N 1 0 361.442 2.872 20 5 FFBDRO CC(C)(C)OC(=O)CCCC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000298056048 257881831 /nfs/dbraw/zinc/88/18/31/257881831.db2.gz JLAGUTKYQLKSQU-UHFFFAOYSA-N 1 0 364.446 2.624 20 5 FFBDRO CC1CC[NH+](C[C@@H](O)CNc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000301172678 258031497 /nfs/dbraw/zinc/03/14/97/258031497.db2.gz KSKJSMOAAWFDBE-ZDUSSCGKSA-N 1 0 372.263 2.862 20 5 FFBDRO COC(=O)c1cnc(NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000302659414 258107490 /nfs/dbraw/zinc/10/74/90/258107490.db2.gz ATGHDCLFDYCTBY-CYBMUJFWSA-N 1 0 370.409 2.635 20 5 FFBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccc([N+](=O)[O-])c1Br ZINC000317301724 258116019 /nfs/dbraw/zinc/11/60/19/258116019.db2.gz MONWWBKHWFMQLP-QWRGUYRKSA-N 1 0 368.231 2.714 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)c2ncc([N+](=O)[O-])cc2Br)[C@@H](C)C1 ZINC000301578371 258056834 /nfs/dbraw/zinc/05/68/34/258056834.db2.gz ZLROTUNCPGZIMM-GWCFXTLKSA-N 1 0 357.252 2.919 20 5 FFBDRO C[C@H]1C[NH+](CCCNc2c(Br)cncc2[N+](=O)[O-])C[C@H](C)O1 ZINC000301829518 258069747 /nfs/dbraw/zinc/06/97/47/258069747.db2.gz GVVTZSBSXJFXSI-QWRGUYRKSA-N 1 0 373.251 2.664 20 5 FFBDRO CCCC[NH+]1CCC(Nc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000301899099 258073842 /nfs/dbraw/zinc/07/38/42/258073842.db2.gz SULDPXFRFWTKMX-UHFFFAOYSA-N 1 0 355.460 2.675 20 5 FFBDRO C[C@H](CNc1ccc([N+](=O)[O-])c(OC(C)(C)C)c1)N1CC[NH+](C)CC1 ZINC000301899788 258073845 /nfs/dbraw/zinc/07/38/45/258073845.db2.gz YKYHXZBWNJEQIJ-CQSZACIVSA-N 1 0 350.463 2.820 20 5 FFBDRO CC(C)[C@H](CNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-])[NH+]1CCCC1 ZINC000301905913 258074186 /nfs/dbraw/zinc/07/41/86/258074186.db2.gz QJYJRQFOFHEAFF-AWEZNQCLSA-N 1 0 355.460 2.531 20 5 FFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000301964441 258078901 /nfs/dbraw/zinc/07/89/01/258078901.db2.gz NTATVLHSSDZEMN-GDBMZVCRSA-N 1 0 366.425 2.960 20 5 FFBDRO CCOc1cc(C[NH+]2CCC(C(=O)N3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000331195948 258179505 /nfs/dbraw/zinc/17/95/05/258179505.db2.gz YJRJHJSRYYVFGN-UHFFFAOYSA-N 1 0 361.442 2.828 20 5 FFBDRO COc1ccc(CN2C[C@@H](SC)[C@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000332073142 258212855 /nfs/dbraw/zinc/21/28/55/258212855.db2.gz DMVTZKCTITVIBN-NVXWUHKLSA-N 1 0 351.472 2.615 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N3CCC[C@@H]3C[NH+](C)C)cc2[N+](=O)[O-])C1 ZINC000332408091 258229448 /nfs/dbraw/zinc/22/94/48/258229448.db2.gz DFMYYZPXSPUGOF-NVXWUHKLSA-N 1 0 374.485 2.997 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CCCn2cc(C)nc21 ZINC000366721506 512157286 /nfs/dbraw/zinc/15/72/86/512157286.db2.gz VJTXYMYXUMQEPE-LBPRGKRZSA-N 1 0 359.386 2.807 20 5 FFBDRO C[NH+](C)[C@H](CNC(=O)NCCc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000065511497 506313208 /nfs/dbraw/zinc/31/32/08/506313208.db2.gz YCXOQYVQYAFTQT-GOSISDBHSA-N 1 0 362.474 2.947 20 5 FFBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[NH+](CC2CC2)CC1 ZINC000053237188 506340393 /nfs/dbraw/zinc/34/03/93/506340393.db2.gz XHXNESKPYDFXBW-GFCCVEGCSA-N 1 0 366.849 2.603 20 5 FFBDRO CNC(=O)c1ccc(NC[C@@H](C)[N@@H+]2CCc3sccc3C2)c([N+](=O)[O-])c1 ZINC000053558773 506405607 /nfs/dbraw/zinc/40/56/07/506405607.db2.gz SOSLEYUXFVLZGI-GFCCVEGCSA-N 1 0 374.466 2.875 20 5 FFBDRO CCc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])cnc2C)[NH+](C)C)cc1 ZINC000041904246 506566486 /nfs/dbraw/zinc/56/64/86/506566486.db2.gz VBHSEIFYEOWVLA-GOSISDBHSA-N 1 0 356.426 2.893 20 5 FFBDRO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000371242848 512286435 /nfs/dbraw/zinc/28/64/35/512286435.db2.gz HULXGPNEYFKNNP-MRXNPFEDSA-N 1 0 358.442 2.773 20 5 FFBDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000054646707 506594402 /nfs/dbraw/zinc/59/44/02/506594402.db2.gz KIIXDXMOUIMXRI-MRXNPFEDSA-N 1 0 362.474 2.949 20 5 FFBDRO COc1cc(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000043084470 506697227 /nfs/dbraw/zinc/69/72/27/506697227.db2.gz AWFLGCMRDCYZSJ-OLZOCXBDSA-N 1 0 365.430 2.605 20 5 FFBDRO CNc1ccc(C(=O)NCCC[N@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000009919863 506717889 /nfs/dbraw/zinc/71/78/89/506717889.db2.gz QSCOLPLMORSKBP-UHFFFAOYSA-N 1 0 356.426 2.888 20 5 FFBDRO COc1cccc([C@H](CNC(=O)c2ccc(C)c([N+](=O)[O-])c2)[NH+](C)C)c1 ZINC000010018170 506723006 /nfs/dbraw/zinc/72/30/06/506723006.db2.gz IQCJAJSEXPWNJE-SFHVURJKSA-N 1 0 357.410 2.945 20 5 FFBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000055407447 506745666 /nfs/dbraw/zinc/74/56/66/506745666.db2.gz LRWSJRJSWLXWFO-HUUCEWRRSA-N 1 0 371.441 2.631 20 5 FFBDRO O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000011853275 506798534 /nfs/dbraw/zinc/79/85/34/506798534.db2.gz HNRFZEXZTBSZHN-UHFFFAOYSA-N 1 0 368.437 2.537 20 5 FFBDRO CC(C)N(C)C(=O)C1CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000055902753 506882239 /nfs/dbraw/zinc/88/22/39/506882239.db2.gz GHYCMMZEJSWYTE-UHFFFAOYSA-N 1 0 363.458 2.943 20 5 FFBDRO C[NH+](C)Cc1ccc(CNC(=O)NCCNc2ccccc2[N+](=O)[O-])cc1 ZINC000045130020 506922789 /nfs/dbraw/zinc/92/27/89/506922789.db2.gz WZLFZRDTEFTTEB-UHFFFAOYSA-N 1 0 371.441 2.568 20 5 FFBDRO O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000067703047 506981019 /nfs/dbraw/zinc/98/10/19/506981019.db2.gz ANVNSFJYFZFYFA-OAHLLOKOSA-N 1 0 361.445 2.508 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000045557181 506982629 /nfs/dbraw/zinc/98/26/29/506982629.db2.gz SOYRSESGCBYMRD-OAHLLOKOSA-N 1 0 355.394 2.608 20 5 FFBDRO O=C(CNc1ccccc1[N+](=O)[O-])NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000067705953 506984483 /nfs/dbraw/zinc/98/44/83/506984483.db2.gz MMYNCRWIJZBRGO-IBGZPJMESA-N 1 0 368.437 2.960 20 5 FFBDRO CC[NH+](CC)CC1CCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000057847270 507341388 /nfs/dbraw/zinc/34/13/88/507341388.db2.gz UMBPWOUTIJNVCW-OAHLLOKOSA-N 1 0 362.474 2.976 20 5 FFBDRO CC(C)OCCCNC(=O)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000047770324 507390956 /nfs/dbraw/zinc/39/09/56/507390956.db2.gz SQPJMNJDASQIDH-UHFFFAOYSA-N 1 0 363.458 2.738 20 5 FFBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000058883738 507476947 /nfs/dbraw/zinc/47/69/47/507476947.db2.gz AIGQOMPQCCWSHK-OWCLPIDISA-N 1 0 360.458 2.871 20 5 FFBDRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000059003477 507491004 /nfs/dbraw/zinc/49/10/04/507491004.db2.gz YMTBTCCIUUVRRV-UHFFFAOYSA-N 1 0 351.403 2.999 20 5 FFBDRO Cc1cccc(OCC[N@@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000025698299 507524299 /nfs/dbraw/zinc/52/42/99/507524299.db2.gz NKBRZMSPQYIRNM-QGZVFWFLSA-N 1 0 360.410 2.654 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)C2CC[NH+](C(C)C)CC2)cc1C ZINC000060442374 507544618 /nfs/dbraw/zinc/54/46/18/507544618.db2.gz ZYAJGSZXTRFMAL-UHFFFAOYSA-N 1 0 369.487 2.705 20 5 FFBDRO COc1ccc(NC(=O)CC[N@@H+]2CCc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000026156162 507561541 /nfs/dbraw/zinc/56/15/41/507561541.db2.gz DDZMRFZZXYQQEY-UHFFFAOYSA-N 1 0 355.394 2.990 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000028049761 507706238 /nfs/dbraw/zinc/70/62/38/507706238.db2.gz HDRZZLGJAUDFGF-UHFFFAOYSA-N 1 0 369.487 2.836 20 5 FFBDRO O=C(COc1ccccc1[N+](=O)[O-])NC1CC[NH+](CC2CCCC2)CC1 ZINC000063273127 507710672 /nfs/dbraw/zinc/71/06/72/507710672.db2.gz VYEDYJYKGVJOCN-UHFFFAOYSA-N 1 0 361.442 2.744 20 5 FFBDRO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000051051074 507727850 /nfs/dbraw/zinc/72/78/50/507727850.db2.gz YRLXKXFDNLTPGN-HOTGVXAUSA-N 1 0 363.458 2.990 20 5 FFBDRO COc1ccc([C@H](CNc2c([N+](=O)[O-])c(C)nn2C)[NH+]2CCCC2)cc1 ZINC000051227308 507751225 /nfs/dbraw/zinc/75/12/25/507751225.db2.gz HNZVGTJPKNMOCW-INIZCTEOSA-N 1 0 359.430 2.894 20 5 FFBDRO COc1cc(C(=O)N(CC[NH+](C)C)c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000063829501 507774701 /nfs/dbraw/zinc/77/47/01/507774701.db2.gz VQTIEHLVMUOZIB-UHFFFAOYSA-N 1 0 373.409 2.820 20 5 FFBDRO Cn1ccnc1C(=O)c1ccc(NC2CC[NH+](C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000064113204 507784372 /nfs/dbraw/zinc/78/43/72/507784372.db2.gz AFLDQLORQUCCDC-UHFFFAOYSA-N 1 0 369.425 2.598 20 5 FFBDRO CC[NH+](CC)[C@H](C)CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000031825718 507821982 /nfs/dbraw/zinc/82/19/82/507821982.db2.gz QDUXRZOQNSWNJT-OAHLLOKOSA-N 1 0 362.474 2.658 20 5 FFBDRO COc1c(C)cnc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1C ZINC000072665141 507840452 /nfs/dbraw/zinc/84/04/52/507840452.db2.gz VHNAQAXHBKRSFY-CQSZACIVSA-N 1 0 357.414 2.697 20 5 FFBDRO CC[NH+](CC)CCOC1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000072931283 507874065 /nfs/dbraw/zinc/87/40/65/507874065.db2.gz SLRYLFHIGNWKTR-UHFFFAOYSA-N 1 0 364.446 2.950 20 5 FFBDRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000108302697 507885525 /nfs/dbraw/zinc/88/55/25/507885525.db2.gz NKIVKLKHZGWEFA-AWEZNQCLSA-N 1 0 372.450 2.932 20 5 FFBDRO CCCc1n[nH]c(C(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000078593156 507886516 /nfs/dbraw/zinc/88/65/16/507886516.db2.gz LVUTWWIIMGDNKW-HNNXBMFYSA-N 1 0 365.478 2.757 20 5 FFBDRO CCC[C@@H]([NH2+][C@@H]1CCc2nc(COC)nn2C1)c1cccc([N+](=O)[O-])c1 ZINC000090393700 507917041 /nfs/dbraw/zinc/91/70/41/507917041.db2.gz OKKVWFNDSLHZGO-GDBMZVCRSA-N 1 0 359.430 2.779 20 5 FFBDRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000108783058 507918056 /nfs/dbraw/zinc/91/80/56/507918056.db2.gz YNWKCFFYWLSCOE-OAHLLOKOSA-N 1 0 372.469 2.799 20 5 FFBDRO Cc1c[nH+]ccc1N1CCC(C(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000074067181 507983349 /nfs/dbraw/zinc/98/33/49/507983349.db2.gz NKJJLLBBUOOONR-UHFFFAOYSA-N 1 0 368.437 2.874 20 5 FFBDRO CC1CC[NH+](C[C@H]2CCCN(c3ccc4ncc([N+](=O)[O-])n4n3)C2)CC1 ZINC000091476388 507988762 /nfs/dbraw/zinc/98/87/62/507988762.db2.gz OUSQSOWAFCBRSW-OAHLLOKOSA-N 1 0 358.446 2.586 20 5 FFBDRO CC(C)[NH+](CCCNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)C(C)C ZINC000074333509 508013245 /nfs/dbraw/zinc/01/32/45/508013245.db2.gz QTNPJNXGHPABDI-UHFFFAOYSA-N 1 0 365.430 2.605 20 5 FFBDRO Cc1cc(NCc2ccc(CN3CC[NH+](C)CC3)cc2)ncc1[N+](=O)[O-] ZINC000074740825 508051090 /nfs/dbraw/zinc/05/10/90/508051090.db2.gz XKEPTXQTRNCZBH-UHFFFAOYSA-N 1 0 355.442 2.658 20 5 FFBDRO CN1CC[C@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(F)cc1 ZINC000377652611 512378532 /nfs/dbraw/zinc/37/85/32/512378532.db2.gz OCLPWYXDJWVRDI-GBESFXJTSA-N 1 0 359.401 2.802 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000080612253 508088888 /nfs/dbraw/zinc/08/88/88/508088888.db2.gz GFTADEMETRAUFW-UHFFFAOYSA-N 1 0 370.457 2.708 20 5 FFBDRO Cc1cc([N+](=O)[O-])cnc1Sc1nnc(C2CC[NH2+]CC2)n1C1CC1 ZINC000092655447 508091377 /nfs/dbraw/zinc/09/13/77/508091377.db2.gz SEXNZGCLGFWPGX-UHFFFAOYSA-N 1 0 360.443 2.843 20 5 FFBDRO C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)c1ccc(N3CCCC3)c([N+](=O)[O-])c1)C2 ZINC000080715923 508096918 /nfs/dbraw/zinc/09/69/18/508096918.db2.gz SYFPVWJYCQIAGT-ALOPSCKCSA-N 1 0 372.469 2.940 20 5 FFBDRO O=[N+]([O-])c1ccc(NCCCN2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000075667829 508126653 /nfs/dbraw/zinc/12/66/53/508126653.db2.gz HRLDTTSHNODUEO-UHFFFAOYSA-N 1 0 355.442 2.610 20 5 FFBDRO COC(=O)C(C)(C)[C@@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000093298380 508136349 /nfs/dbraw/zinc/13/63/49/508136349.db2.gz DGCWZMXSFSRZDW-CQSZACIVSA-N 1 0 350.415 2.885 20 5 FFBDRO CNC(=O)[C@@H](C)C[N@H+](C)Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000093899211 508159186 /nfs/dbraw/zinc/15/91/86/508159186.db2.gz NWIDVXINWODQBI-LBPRGKRZSA-N 1 0 361.398 2.677 20 5 FFBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)C1 ZINC000081363250 508167788 /nfs/dbraw/zinc/16/77/88/508167788.db2.gz CNWSKBVYIMHNOD-CYBMUJFWSA-N 1 0 364.402 2.615 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)[C@H](C)C1 ZINC000076486211 508212964 /nfs/dbraw/zinc/21/29/64/508212964.db2.gz ZGTMBFDYOXXZMA-RDTXWAMCSA-N 1 0 371.441 2.583 20 5 FFBDRO Cc1nn(C)c(C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)c1[N+](=O)[O-] ZINC000098102539 508234511 /nfs/dbraw/zinc/23/45/11/508234511.db2.gz RDDKFKFKXXUMMN-UHFFFAOYSA-N 1 0 357.414 2.527 20 5 FFBDRO CNC(=O)c1ccc(N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000076691256 508241724 /nfs/dbraw/zinc/24/17/24/508241724.db2.gz FPJXFOWQYVHZOK-HNNXBMFYSA-N 1 0 368.437 2.665 20 5 FFBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CC[C@H](C[NH+](C)C)C2)CC1 ZINC000114147830 508296614 /nfs/dbraw/zinc/29/66/14/508296614.db2.gz HGKYPKHSTDWXQT-MRXNPFEDSA-N 1 0 374.485 2.855 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N(C)CC[NH+]3CCCC3)cc2[N+](=O)[O-])CC1 ZINC000103120120 508297786 /nfs/dbraw/zinc/29/77/86/508297786.db2.gz APKGCBXIEMUNBA-UHFFFAOYSA-N 1 0 374.485 2.999 20 5 FFBDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000115444065 508394875 /nfs/dbraw/zinc/39/48/75/508394875.db2.gz GXQUQTCIROWGJU-HNNXBMFYSA-N 1 0 360.458 2.609 20 5 FFBDRO Cc1ccnc(N2CCN(C(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)c1 ZINC000152437409 508446037 /nfs/dbraw/zinc/44/60/37/508446037.db2.gz XEPGFEZFDZQXCB-UHFFFAOYSA-N 1 0 355.398 2.961 20 5 FFBDRO C[NH+](C)CC[C@H](NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)C(C)(C)C ZINC000116129517 508476507 /nfs/dbraw/zinc/47/65/07/508476507.db2.gz XPBWCAXSXHANLO-KRWDZBQOSA-N 1 0 373.457 2.877 20 5 FFBDRO COC(=O)C[N@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)C1CCCC1 ZINC000134247602 508513453 /nfs/dbraw/zinc/51/34/53/508513453.db2.gz JBMLWYJUFMBZTO-UHFFFAOYSA-N 1 0 363.414 2.649 20 5 FFBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000157202845 508536607 /nfs/dbraw/zinc/53/66/07/508536607.db2.gz HAJOZZWQRQTNLP-RHSMWYFYSA-N 1 0 358.442 2.725 20 5 FFBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1C[C@@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000128042463 508539672 /nfs/dbraw/zinc/53/96/72/508539672.db2.gz XDHMNPIFHCVHEJ-INIZCTEOSA-N 1 0 369.425 2.501 20 5 FFBDRO O=[N+]([O-])c1ccc(OCCC[NH+]2CCN(Cc3ccncc3)CC2)cc1 ZINC000153129551 508550528 /nfs/dbraw/zinc/55/05/28/508550528.db2.gz HPVIEVVWGUKNON-UHFFFAOYSA-N 1 0 356.426 2.577 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N[C@@H]3CCCC[C@H]3[NH3+])cc2[N+](=O)[O-])C1 ZINC000128203574 508562815 /nfs/dbraw/zinc/56/28/15/508562815.db2.gz NWJQLWXFNNKQRJ-FVQBIDKESA-N 1 0 360.458 2.831 20 5 FFBDRO O=[N+]([O-])c1cnc2ccc(NCc3cccc(C[NH+]4CCCC4)c3)nn21 ZINC000157408017 508562880 /nfs/dbraw/zinc/56/28/80/508562880.db2.gz LOMZJCONNACIBX-UHFFFAOYSA-N 1 0 352.398 2.845 20 5 FFBDRO COc1ccc(NC(=O)[C@H](C)N2CCc3c(cccc3[N+](=O)[O-])C2)cc1 ZINC000153311943 508570754 /nfs/dbraw/zinc/57/07/54/508570754.db2.gz VPFSLVHKUSTSNU-ZDUSSCGKSA-N 1 0 355.394 2.989 20 5 FFBDRO CCCNC(=O)CN1CCC([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000153480754 508588072 /nfs/dbraw/zinc/58/80/72/508588072.db2.gz ORIKCAOJEVVVGC-HNNXBMFYSA-N 1 0 362.474 2.544 20 5 FFBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+](CCO)C1CCCCC1 ZINC000117341223 508593096 /nfs/dbraw/zinc/59/30/96/508593096.db2.gz WMOQEVZQRHUOOC-UHFFFAOYSA-N 1 0 363.414 2.520 20 5 FFBDRO CC(C)C[C@@H]1COCC[N@@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000117341922 508593447 /nfs/dbraw/zinc/59/34/47/508593447.db2.gz LXYFNCNGZHTBRU-OAHLLOKOSA-N 1 0 363.414 2.640 20 5 FFBDRO C[NH+](C)CCC1CCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000128493969 508601318 /nfs/dbraw/zinc/60/13/18/508601318.db2.gz CRTAGWKNDSJSPM-UHFFFAOYSA-N 1 0 371.441 2.584 20 5 FFBDRO Cc1cc([C@H]2CN(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])CCO2)ccc1F ZINC000128700375 508630780 /nfs/dbraw/zinc/63/07/80/508630780.db2.gz CFARJVZHOWGHNN-GOSISDBHSA-N 1 0 373.384 2.715 20 5 FFBDRO O=[N+]([O-])c1cc(C[NH2+]CCc2nnc[nH]2)ccc1Oc1ccc(F)cc1 ZINC000119178356 508741399 /nfs/dbraw/zinc/74/13/99/508741399.db2.gz YGGXQLQRZWOBJP-UHFFFAOYSA-N 1 0 357.345 2.977 20 5 FFBDRO C[NH+](C)CCn1cc(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cn1 ZINC000137671209 508762020 /nfs/dbraw/zinc/76/20/20/508762020.db2.gz CPQJZEWVBGWDBM-UHFFFAOYSA-N 1 0 372.429 2.549 20 5 FFBDRO CC1CC[NH+]([C@H](CNC(=O)c2[nH]ncc2[N+](=O)[O-])c2cccs2)CC1 ZINC000158940903 508771477 /nfs/dbraw/zinc/77/14/77/508771477.db2.gz GEMKLOXBQUFXPY-GFCCVEGCSA-N 1 0 363.443 2.582 20 5 FFBDRO Cn1cc(Br)cc1C[N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154449422 508787062 /nfs/dbraw/zinc/78/70/62/508787062.db2.gz SSZSRSYRAZQEBK-OAHLLOKOSA-N 1 0 368.231 2.861 20 5 FFBDRO CC[C@@H]([NH2+]C[C@]1(N2CCOCC2)CCSC1)c1cccc([N+](=O)[O-])c1 ZINC000154463899 508789990 /nfs/dbraw/zinc/78/99/90/508789990.db2.gz WOLBPFXDGGIZSV-QZTJIDSGSA-N 1 0 365.499 2.843 20 5 FFBDRO CCC[NH2+]CCNC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000154515638 508800390 /nfs/dbraw/zinc/80/03/90/508800390.db2.gz LFZRQEUJNDXCHD-AWEZNQCLSA-N 1 0 371.441 2.892 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000159258051 508815084 /nfs/dbraw/zinc/81/50/84/508815084.db2.gz CAOACTXUPVYMMQ-DYVFJYSZSA-N 1 0 359.426 2.579 20 5 FFBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[NH+](C2CCCCC2)CC1 ZINC000141839064 508819406 /nfs/dbraw/zinc/81/94/06/508819406.db2.gz RBEGLOGAFCQIRS-HNNXBMFYSA-N 1 0 360.458 2.872 20 5 FFBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000119593923 508824812 /nfs/dbraw/zinc/82/48/12/508824812.db2.gz WNDFNMFVYCTQEZ-KXBFYZLASA-N 1 0 368.437 2.915 20 5 FFBDRO COc1ccc(NC(=O)CC[N@H+](C)CCc2ccccn2)c([N+](=O)[O-])c1 ZINC000124404640 508826493 /nfs/dbraw/zinc/82/64/93/508826493.db2.gz MNZGFLSLERSYAT-UHFFFAOYSA-N 1 0 358.398 2.502 20 5 FFBDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000124500990 508842578 /nfs/dbraw/zinc/84/25/78/508842578.db2.gz RIBLJOYSEATWEQ-AWEZNQCLSA-N 1 0 367.421 2.597 20 5 FFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(CNC(=O)c2cnn(C)c2)CC1 ZINC000154913724 508882077 /nfs/dbraw/zinc/88/20/77/508882077.db2.gz RGBNEXNVGNYFBG-AWEZNQCLSA-N 1 0 371.441 2.531 20 5 FFBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000150800858 508895670 /nfs/dbraw/zinc/89/56/70/508895670.db2.gz YBQMUOSWKGDDEE-CQSZACIVSA-N 1 0 365.405 2.590 20 5 FFBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000125777797 509028563 /nfs/dbraw/zinc/02/85/63/509028563.db2.gz ZSRHHPPTLJVTLW-OAHLLOKOSA-N 1 0 371.441 2.631 20 5 FFBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000121077548 509122920 /nfs/dbraw/zinc/12/29/20/509122920.db2.gz KEDBWUQDOLQKTC-AWEZNQCLSA-N 1 0 358.442 2.855 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])cc2OC)[C@H](C)C1 ZINC000156108659 509128306 /nfs/dbraw/zinc/12/83/06/509128306.db2.gz BEEDVTMZOPOBMS-IUODEOHRSA-N 1 0 350.419 2.797 20 5 FFBDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000121427275 509173204 /nfs/dbraw/zinc/17/32/04/509173204.db2.gz TYBIKAAUUXHLBD-LLVKDONJSA-N 1 0 370.247 2.771 20 5 FFBDRO CCn1cc([N+](=O)[O-])c(C(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)n1 ZINC000191801352 509187167 /nfs/dbraw/zinc/18/71/67/509187167.db2.gz LEPUPRIPWHRPAS-CYBMUJFWSA-N 1 0 359.430 2.670 20 5 FFBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)n1 ZINC000191815167 509195460 /nfs/dbraw/zinc/19/54/60/509195460.db2.gz DWSGROIMUOAKEV-GJZGRUSLSA-N 1 0 363.462 2.538 20 5 FFBDRO Cc1cc(N2CC[NH+](CCCOCC(F)(F)F)CC2)ccc1[N+](=O)[O-] ZINC000195640625 509213448 /nfs/dbraw/zinc/21/34/48/509213448.db2.gz WJEHYXUHRYGDFA-UHFFFAOYSA-N 1 0 361.364 2.994 20 5 FFBDRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000185510265 509213365 /nfs/dbraw/zinc/21/33/65/509213365.db2.gz VRGPTUIYKWCAKV-UHFFFAOYSA-N 1 0 355.398 2.729 20 5 FFBDRO COc1ccc(F)cc1[C@@H](C)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182403275 509221097 /nfs/dbraw/zinc/22/10/97/509221097.db2.gz JUJQRAOITCVZMZ-TZMCWYRMSA-N 1 0 364.373 2.833 20 5 FFBDRO CCC[NH+]1CCC(N(C)S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000191896051 509235707 /nfs/dbraw/zinc/23/57/07/509235707.db2.gz FFCVBHUCHRIRBJ-UHFFFAOYSA-N 1 0 369.487 2.707 20 5 FFBDRO C[NH+](C)C[C@H]1CCCN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000263939985 509238700 /nfs/dbraw/zinc/23/87/00/509238700.db2.gz ZBOFWVQZJHDQQU-MRXNPFEDSA-N 1 0 363.461 2.707 20 5 FFBDRO C[NH+](C)CCc1ccc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 ZINC000263952216 509245633 /nfs/dbraw/zinc/24/56/33/509245633.db2.gz OICRQHYEVPIOIW-UHFFFAOYSA-N 1 0 371.393 2.722 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H](C)[C@H]1COc2ccccc21 ZINC000185593794 509255965 /nfs/dbraw/zinc/25/59/65/509255965.db2.gz YCHYXPACWNUKPD-CZUORRHYSA-N 1 0 355.394 2.996 20 5 FFBDRO COc1cccc(NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000185644304 509282199 /nfs/dbraw/zinc/28/21/99/509282199.db2.gz LQSIKEJQBMTIQD-JKSUJKDBSA-N 1 0 357.410 2.651 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000182622205 509337833 /nfs/dbraw/zinc/33/78/33/509337833.db2.gz AVIAVTMAOGAVIG-CVEARBPZSA-N 1 0 361.442 2.535 20 5 FFBDRO C[NH+](C)[C@@]1(CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCSC1 ZINC000267133324 509358841 /nfs/dbraw/zinc/35/88/41/509358841.db2.gz CYZNZSPCTAVWML-CQSZACIVSA-N 1 0 358.851 2.807 20 5 FFBDRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000182670310 509361028 /nfs/dbraw/zinc/36/10/28/509361028.db2.gz FGMUGXDMKMFWSV-WCQYABFASA-N 1 0 369.368 2.895 20 5 FFBDRO COc1ccc(C[N@H+](C)CCn2ccc([N+](=O)[O-])n2)cc1OC(F)F ZINC000176206344 509378734 /nfs/dbraw/zinc/37/87/34/509378734.db2.gz GVAVJKBFUBDQQH-UHFFFAOYSA-N 1 0 356.329 2.533 20 5 FFBDRO C[NH+](C)C1CCN(CCNc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000267189111 509387796 /nfs/dbraw/zinc/38/77/96/509387796.db2.gz LYNLVNSJKCEECO-UHFFFAOYSA-N 1 0 371.279 2.795 20 5 FFBDRO COc1ccc(OCC[NH+]2CCC([C@@H]3CCCO3)CC2)c([N+](=O)[O-])c1 ZINC000189121719 509421719 /nfs/dbraw/zinc/42/17/19/509421719.db2.gz UDYBMDDRZKBKLK-KRWDZBQOSA-N 1 0 350.415 2.873 20 5 FFBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000248683252 509434202 /nfs/dbraw/zinc/43/42/02/509434202.db2.gz XPNPTLODYMICHQ-GOEBONIOSA-N 1 0 371.441 2.594 20 5 FFBDRO CCCc1n[nH]c(C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1[N+](=O)[O-] ZINC000182853700 509461086 /nfs/dbraw/zinc/46/10/86/509461086.db2.gz QVWKZBNAOFQLKP-CHWSQXEVSA-N 1 0 363.462 2.653 20 5 FFBDRO Cc1nn(Cc2ccc(C(=O)N[C@@H](C[NH3+])CC(C)C)cc2)c(C)c1[N+](=O)[O-] ZINC000236607734 509464294 /nfs/dbraw/zinc/46/42/94/509464294.db2.gz RPUAPAFROTYZNO-QGZVFWFLSA-N 1 0 373.457 2.560 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N3CC[C@@H]([NH3+])C[C@@H]3C)cc2[N+](=O)[O-])CC1 ZINC000236669023 509475910 /nfs/dbraw/zinc/47/59/10/509475910.db2.gz NUXFURVISPDGET-GOEBONIOSA-N 1 0 360.458 2.783 20 5 FFBDRO C[C@@H]1C[N@@H+](CCC2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)C[C@H](C)O1 ZINC000267449243 509489885 /nfs/dbraw/zinc/48/98/85/509489885.db2.gz ZTDNCNGODSTVRS-OKILXGFUSA-N 1 0 365.430 2.539 20 5 FFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000248826448 509499140 /nfs/dbraw/zinc/49/91/40/509499140.db2.gz MAABMHMPKPHZLZ-CRAIPNDOSA-N 1 0 353.422 2.774 20 5 FFBDRO COC(=O)c1cnc(NCc2ccc(F)c(C[NH+](C)C)c2)c([N+](=O)[O-])c1 ZINC000189300973 509508327 /nfs/dbraw/zinc/50/83/27/509508327.db2.gz LMJXEJBOIIOWEL-UHFFFAOYSA-N 1 0 362.361 2.589 20 5 FFBDRO CC[NH+]1CCN([C@H]2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2)CC1 ZINC000264440532 509529177 /nfs/dbraw/zinc/52/91/77/509529177.db2.gz WSQVTFLLCSOQOP-AWEZNQCLSA-N 1 0 372.391 2.830 20 5 FFBDRO CC[NH2+]CCNC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(OC)cc1 ZINC000236968225 509544520 /nfs/dbraw/zinc/54/45/20/509544520.db2.gz RRJARMAYIZKJRS-UHFFFAOYSA-N 1 0 359.382 2.735 20 5 FFBDRO CC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)c1cccc(S(N)(=O)=O)c1 ZINC000183016701 509548327 /nfs/dbraw/zinc/54/83/27/509548327.db2.gz SVTDMVPMMAKBOC-INIZCTEOSA-N 1 0 363.439 2.792 20 5 FFBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCC[NH+]1CCCC1 ZINC000179644891 509551647 /nfs/dbraw/zinc/55/16/47/509551647.db2.gz RJTISRBHBQTTSK-UHFFFAOYSA-N 1 0 367.471 2.549 20 5 FFBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000165456140 509571881 /nfs/dbraw/zinc/57/18/81/509571881.db2.gz PCACWCXWZAWBEB-UHFFFAOYSA-N 1 0 371.441 2.634 20 5 FFBDRO [NH3+][C@H](C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)c1cccc(Cl)c1 ZINC000165539770 509576597 /nfs/dbraw/zinc/57/65/97/509576597.db2.gz BVFWBCLHIQTWLI-KRWDZBQOSA-N 1 0 374.828 2.597 20 5 FFBDRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000179713237 509585939 /nfs/dbraw/zinc/58/59/39/509585939.db2.gz UBUPVJLMZDADKA-CYBMUJFWSA-N 1 0 367.409 2.721 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](CCCO)c1ccccc1 ZINC000179737307 509598225 /nfs/dbraw/zinc/59/82/25/509598225.db2.gz WFNGEGKFKXBXDE-INIZCTEOSA-N 1 0 373.409 2.645 20 5 FFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NCCC[NH2+]Cc2cccnc2)c1 ZINC000237333334 509624683 /nfs/dbraw/zinc/62/46/83/509624683.db2.gz ATPSFNKQWGFSCS-UHFFFAOYSA-N 1 0 360.439 2.621 20 5 FFBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCC(C[NH3+])CC3)cc2[N+](=O)[O-])C1 ZINC000237476751 509657382 /nfs/dbraw/zinc/65/73/82/509657382.db2.gz DRUADCSWASZBIK-HUUCEWRRSA-N 1 0 374.485 2.888 20 5 FFBDRO COc1cc(C[NH2+][C@@H](C)CCCO)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000268018404 509718540 /nfs/dbraw/zinc/71/85/40/509718540.db2.gz HCYTUUOQZWYPPZ-JTQLQIEISA-N 1 0 366.336 2.795 20 5 FFBDRO COCCNC(=O)[C@H](CC(C)C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000183335721 509721936 /nfs/dbraw/zinc/72/19/36/509721936.db2.gz JORJXBUNQPYZGZ-HOCLYGCPSA-N 1 0 351.447 2.731 20 5 FFBDRO COCCNC(=O)[C@H](CC(C)C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000183335705 509722576 /nfs/dbraw/zinc/72/25/76/509722576.db2.gz JORJXBUNQPYZGZ-ZBFHGGJFSA-N 1 0 351.447 2.731 20 5 FFBDRO C[N@@H+]1CC[C@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000180147580 509777910 /nfs/dbraw/zinc/77/79/10/509777910.db2.gz DATCJQJKDKYAPW-JXFKEZNVSA-N 1 0 369.421 2.925 20 5 FFBDRO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237971379 509789816 /nfs/dbraw/zinc/78/98/16/509789816.db2.gz NPYCWKUXNSMQQK-FUNVUKJBSA-N 1 0 358.423 2.731 20 5 FFBDRO O=C(NCC[NH+]1CCCCCC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000176976132 509794739 /nfs/dbraw/zinc/79/47/39/509794739.db2.gz HUFSFJBHYLKGTE-UHFFFAOYSA-N 1 0 370.247 2.963 20 5 FFBDRO Cc1ccc(C)c(S(=O)(=O)NC2CC[NH+](C(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000189874942 509802706 /nfs/dbraw/zinc/80/27/06/509802706.db2.gz RHJZHFRXBUFYOR-UHFFFAOYSA-N 1 0 369.487 2.753 20 5 FFBDRO COc1ccc(OCCN2CC[C@@H](C[NH+]3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000173880986 509832651 /nfs/dbraw/zinc/83/26/51/509832651.db2.gz KKQPCZJORCGLAT-INIZCTEOSA-N 1 0 363.458 2.790 20 5 FFBDRO CCC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2CC)C1 ZINC000173949480 509870502 /nfs/dbraw/zinc/87/05/02/509870502.db2.gz CSXQFCQLLGMFTM-CQSZACIVSA-N 1 0 369.487 2.510 20 5 FFBDRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)Nc3ccncc3[N+](=O)[O-])C2)CC1 ZINC000183618632 509889421 /nfs/dbraw/zinc/88/94/21/509889421.db2.gz DGIOGJONFOXWFO-HNNXBMFYSA-N 1 0 361.446 2.966 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000186780875 509896766 /nfs/dbraw/zinc/89/67/66/509896766.db2.gz YYMNUEAFXWOSEA-CQSZACIVSA-N 1 0 364.446 2.521 20 5 FFBDRO Cc1cccc(CN(CC[NH+](C)C)C(=O)Nc2ccncc2[N+](=O)[O-])c1 ZINC000183642779 509901092 /nfs/dbraw/zinc/90/10/92/509901092.db2.gz GFRUNSLWCSUKMS-UHFFFAOYSA-N 1 0 357.414 2.894 20 5 FFBDRO C[C@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1cccc([N+](=O)[O-])c1 ZINC000180408945 509909535 /nfs/dbraw/zinc/90/95/35/509909535.db2.gz ZJVBRFYYPJLQIE-LBPRGKRZSA-N 1 0 370.365 2.743 20 5 FFBDRO C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Br)C[N@@H+]1C1CC1 ZINC000177172953 509916775 /nfs/dbraw/zinc/91/67/75/509916775.db2.gz YAQPJSDDWLWLIS-NXEZZACHSA-N 1 0 368.231 2.712 20 5 FFBDRO Cc1cc(S(=O)(=O)N2CCC([NH+]3CCCCC3)CC2)ccc1[N+](=O)[O-] ZINC000265253135 509948073 /nfs/dbraw/zinc/94/80/73/509948073.db2.gz WRLGLUZKZCXIKR-UHFFFAOYSA-N 1 0 367.471 2.542 20 5 FFBDRO Cc1cccc([C@H](C)[NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000174105378 509950207 /nfs/dbraw/zinc/95/02/07/509950207.db2.gz ZINNFHOCMSQFKP-AWEZNQCLSA-N 1 0 363.439 2.532 20 5 FFBDRO C[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000245468178 509954604 /nfs/dbraw/zinc/95/46/04/509954604.db2.gz ZVNTVRCBTXKXAG-YRGRVCCFSA-N 1 0 361.398 2.915 20 5 FFBDRO CCOCCC[N@@H+]1CC[C@H](NCc2c(F)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC000187015549 510005964 /nfs/dbraw/zinc/00/59/64/510005964.db2.gz UWWDTJVYHQMCFH-PBHICJAKSA-N 1 0 353.438 2.961 20 5 FFBDRO CC[NH+](CC)Cc1ccc(CNC(=O)c2c(N)cccc2[N+](=O)[O-])cc1 ZINC000180604370 510009419 /nfs/dbraw/zinc/00/94/19/510009419.db2.gz SHRXZMFPLZPNRT-UHFFFAOYSA-N 1 0 356.426 2.949 20 5 FFBDRO O=C(CN1CC[NH2+]C[C@@H]1c1cccc(Cl)c1)Nc1ccccc1[N+](=O)[O-] ZINC000261713590 510036005 /nfs/dbraw/zinc/03/60/05/510036005.db2.gz MTHKDLYTRWJJLR-QGZVFWFLSA-N 1 0 374.828 2.833 20 5 FFBDRO CC(C)c1ccc(C(=O)N2CCC([N@H+](C)CCCO)CC2)cc1[N+](=O)[O-] ZINC000190326511 510065869 /nfs/dbraw/zinc/06/58/69/510065869.db2.gz UUYAWBDTUSYLCE-UHFFFAOYSA-N 1 0 363.458 2.637 20 5 FFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000193813719 510083898 /nfs/dbraw/zinc/08/38/98/510083898.db2.gz YSUIWWIHXZLNAF-GOSISDBHSA-N 1 0 353.422 2.776 20 5 FFBDRO O=C(COc1ccccc1[N+](=O)[O-])NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000193816630 510084539 /nfs/dbraw/zinc/08/45/39/510084539.db2.gz CTUHDZJUCFALGC-QGZVFWFLSA-N 1 0 369.421 2.612 20 5 FFBDRO Cn1cnc([N+](=O)[O-])c1N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000268847588 510097116 /nfs/dbraw/zinc/09/71/16/510097116.db2.gz PXYPUVCDOQVYOU-IAGOWNOFSA-N 1 0 355.442 2.819 20 5 FFBDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000261873979 510097589 /nfs/dbraw/zinc/09/75/89/510097589.db2.gz SRMVJHRKNHJYPY-KFWWJZLASA-N 1 0 360.458 2.640 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(c2ncc[nH]2)CC1 ZINC000265522734 510097946 /nfs/dbraw/zinc/09/79/46/510097946.db2.gz TYRDFCDLKYUSLB-UHFFFAOYSA-N 1 0 373.413 2.535 20 5 FFBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000245708360 510099089 /nfs/dbraw/zinc/09/90/89/510099089.db2.gz YRFMJEAGCWRCAT-IINYFYTJSA-N 1 0 370.247 2.770 20 5 FFBDRO C[C@@H](NC(=O)COc1ccccc1[N+](=O)[O-])[C@@H](c1ccccc1)[NH+](C)C ZINC000187180598 510106650 /nfs/dbraw/zinc/10/66/50/510106650.db2.gz XBKRSVBZSKIGMB-KUHUBIRLSA-N 1 0 357.410 2.781 20 5 FFBDRO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000261939469 510121105 /nfs/dbraw/zinc/12/11/05/510121105.db2.gz XGFGWMDTJBAEBZ-JPZVUWATSA-N 1 0 351.834 2.813 20 5 FFBDRO O=C(CC[C@H]1CC[NH2+]C1)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000261935404 510121993 /nfs/dbraw/zinc/12/19/93/510121993.db2.gz ZJHMORPEVUJOHN-NSHDSACASA-N 1 0 374.363 2.531 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC000193906014 510122589 /nfs/dbraw/zinc/12/25/89/510122589.db2.gz YEGQKDCYUTZPLV-OKILXGFUSA-N 1 0 364.446 2.785 20 5 FFBDRO C[C@@H]1C[C@@H]1[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000245940686 510219218 /nfs/dbraw/zinc/21/92/18/510219218.db2.gz UUZWDYLDPLRWBH-HSHDSVGOSA-N 1 0 364.833 2.793 20 5 FFBDRO CC[NH+]1CCN(c2cccc(NC(=O)Cc3ccccc3[N+](=O)[O-])c2)CC1 ZINC000184259577 510224142 /nfs/dbraw/zinc/22/41/42/510224142.db2.gz IOCXHFXJMBWMFZ-UHFFFAOYSA-N 1 0 368.437 2.918 20 5 FFBDRO C[C@H]1C[C@@H](NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C[N@@H+]1C1CC1 ZINC000177788030 510252954 /nfs/dbraw/zinc/25/29/54/510252954.db2.gz MRLUWPJXGYKOCY-GOEBONIOSA-N 1 0 360.458 2.842 20 5 FFBDRO C[C@@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)[C@@H]1CCC[NH2+]C1 ZINC000269186867 510281260 /nfs/dbraw/zinc/28/12/60/510281260.db2.gz JQGIHWRLVRTLKO-HZPDHXFCSA-N 1 0 363.461 2.659 20 5 FFBDRO CC(C)[C@@](C)(C[NH3+])NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000269265314 510316540 /nfs/dbraw/zinc/31/65/40/510316540.db2.gz KMKZRWWSQFWRRT-CYBMUJFWSA-N 1 0 362.199 2.600 20 5 FFBDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000269288767 510325370 /nfs/dbraw/zinc/32/53/70/510325370.db2.gz UBXZWOHCHHLKLF-MSOLQXFVSA-N 1 0 358.442 2.896 20 5 FFBDRO Cc1nn(C)c(N(C)CCC2CCN(c3cc[nH+]cc3)CC2)c1[N+](=O)[O-] ZINC000181261326 510328000 /nfs/dbraw/zinc/32/80/00/510328000.db2.gz JXXDVIZTKXBXAE-UHFFFAOYSA-N 1 0 358.446 2.775 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000262616788 510337505 /nfs/dbraw/zinc/33/75/05/510337505.db2.gz HENLTFRYWOKOPS-GMXVVIOVSA-N 1 0 355.822 2.649 20 5 FFBDRO O=[N+]([O-])c1ccc(Cl)cc1CN1CC[NH+](CC2CCOCC2)CC1 ZINC000174868399 510354966 /nfs/dbraw/zinc/35/49/66/510354966.db2.gz JEDNTZRYBXEVND-UHFFFAOYSA-N 1 0 353.850 2.792 20 5 FFBDRO Cc1c(NC(=O)[C@@H](C)N2CC[C@@H](C[NH+]3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000246201201 510356894 /nfs/dbraw/zinc/35/68/94/510356894.db2.gz NNZXVADMAXOUMG-CVEARBPZSA-N 1 0 360.458 2.648 20 5 FFBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000269365561 510365053 /nfs/dbraw/zinc/36/50/53/510365053.db2.gz VKFZTWSXKWUKKC-SCLBCKFNSA-N 1 0 358.442 2.752 20 5 FFBDRO C[NH+](C)CCOc1ccccc1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000266079342 510397900 /nfs/dbraw/zinc/39/79/00/510397900.db2.gz VSYVLGUPNNYBLB-UHFFFAOYSA-N 1 0 357.410 2.508 20 5 FFBDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000262768224 510404570 /nfs/dbraw/zinc/40/45/70/510404570.db2.gz LEYPBKRZIQEALX-PWSUYJOCSA-N 1 0 374.363 2.530 20 5 FFBDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000246305702 510417273 /nfs/dbraw/zinc/41/72/73/510417273.db2.gz FQRADVQSLVZYJP-CVEARBPZSA-N 1 0 374.485 2.780 20 5 FFBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000246324635 510426741 /nfs/dbraw/zinc/42/67/41/510426741.db2.gz NEDLHSYWAYDNOL-MAUKXSAKSA-N 1 0 362.474 2.899 20 5 FFBDRO CC(C)[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C2 ZINC000175031506 510448795 /nfs/dbraw/zinc/44/87/95/510448795.db2.gz TZCUWSDLZFMFRE-UONOGXRCSA-N 1 0 362.386 2.590 20 5 FFBDRO Nc1c(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000178151127 510460070 /nfs/dbraw/zinc/46/00/70/510460070.db2.gz NDURWAZVNGCNER-AWEZNQCLSA-N 1 0 360.439 2.805 20 5 FFBDRO CC(C)(CNC(=O)c1cccc([N+](=O)[O-])c1N)[N@@H+]1CCc2ccccc2C1 ZINC000178179514 510473725 /nfs/dbraw/zinc/47/37/25/510473725.db2.gz FDRIDTVZFPYSCT-UHFFFAOYSA-N 1 0 368.437 2.744 20 5 FFBDRO CC[NH+](CC)CCCCNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000171980406 510483641 /nfs/dbraw/zinc/48/36/41/510483641.db2.gz HUWIZXMLNSKTHP-UHFFFAOYSA-N 1 0 359.430 2.632 20 5 FFBDRO Cc1cc(N2CC[C@H]([NH+]3CC=CC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000266293355 510502924 /nfs/dbraw/zinc/50/29/24/510502924.db2.gz XEEHJFGODYWCTI-KRWDZBQOSA-N 1 0 351.410 2.811 20 5 FFBDRO CC[NH+](CC)[C@@H](CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])CC(C)C ZINC000178277973 510523055 /nfs/dbraw/zinc/52/30/55/510523055.db2.gz DUGCAIUUFGDZQV-CYBMUJFWSA-N 1 0 361.446 3.000 20 5 FFBDRO O=C(CCC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)NC1CC1 ZINC000172114026 510549925 /nfs/dbraw/zinc/54/99/25/510549925.db2.gz ZCAXYGIGMHQXDB-UHFFFAOYSA-N 1 0 360.439 2.867 20 5 FFBDRO COCCC[NH+]1CCC(NC(=O)c2cccc(SC)c2[N+](=O)[O-])CC1 ZINC000188116486 510602378 /nfs/dbraw/zinc/60/23/78/510602378.db2.gz JGDSBVCFHDAABD-UHFFFAOYSA-N 1 0 367.471 2.547 20 5 FFBDRO CCOC(=O)c1ccnc(N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000246653377 510602590 /nfs/dbraw/zinc/60/25/90/510602590.db2.gz JKNIMFFTAQNWCI-OLZOCXBDSA-N 1 0 350.419 2.699 20 5 FFBDRO CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000191363483 510624410 /nfs/dbraw/zinc/62/44/10/510624410.db2.gz IOWRTTYRAYVUFU-JKSUJKDBSA-N 1 0 365.430 2.725 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCN(Cc2ccccn2)CC1 ZINC000191403837 510642503 /nfs/dbraw/zinc/64/25/03/510642503.db2.gz ZFNWFBNDACPRND-UHFFFAOYSA-N 1 0 369.425 2.956 20 5 FFBDRO C[C@H]1C[C@H](C)CN(c2ccc(C(=O)N3CC[NH2+]C(C)(C)C3)cc2[N+](=O)[O-])C1 ZINC000175432292 510644604 /nfs/dbraw/zinc/64/46/04/510644604.db2.gz QZLQRNYDEHJQCB-GJZGRUSLSA-N 1 0 374.485 2.901 20 5 FFBDRO CC[C@@H]1CN(C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)CC[N@@H+]1C[C@@H](C)O ZINC000191413090 510647133 /nfs/dbraw/zinc/64/71/33/510647133.db2.gz JYMLAMBSZSCVLZ-HUUCEWRRSA-N 1 0 364.446 2.521 20 5 FFBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)cccc1[N+](=O)[O-] ZINC000270046937 510651624 /nfs/dbraw/zinc/65/16/24/510651624.db2.gz UBVRZXCSLRIJCX-WRFANHODSA-N 1 0 359.426 2.777 20 5 FFBDRO C[NH+]1CCC([C@H]2CCN(C(=O)NCCc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000270072716 510663296 /nfs/dbraw/zinc/66/32/96/510663296.db2.gz HDMXSXQSWMTFGM-KRWDZBQOSA-N 1 0 360.458 2.511 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C2(c3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000266621817 510692680 /nfs/dbraw/zinc/69/26/80/510692680.db2.gz FWDZSSJSVJLTPH-GFCCVEGCSA-N 1 0 371.224 2.738 20 5 FFBDRO CCOCCC[N@@H+]1CC[C@H](Nc2nc3sccn3c2[N+](=O)[O-])[C@@H](C)C1 ZINC000246829996 510698552 /nfs/dbraw/zinc/69/85/52/510698552.db2.gz PGQQUFPRUIGPID-STQMWFEESA-N 1 0 367.475 2.853 20 5 FFBDRO CC(C)NC(=O)c1ccc(N2CC[C@@H](C3CC[NH+](C)CC3)C2)c([N+](=O)[O-])c1 ZINC000270173101 510701692 /nfs/dbraw/zinc/70/16/92/510701692.db2.gz LNOJUKUEKWJPDS-QGZVFWFLSA-N 1 0 374.485 2.901 20 5 FFBDRO CC[C@@H]([NH2+][C@H](C)C(=O)NC(=O)NC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000178675149 510716169 /nfs/dbraw/zinc/71/61/69/510716169.db2.gz PKHIEPZIUVQCPM-BXUZGUMPSA-N 1 0 350.419 2.648 20 5 FFBDRO C[N@H+](CCNC(=O)NCCc1ccc([N+](=O)[O-])cc1)Cc1ccc(F)cc1 ZINC000175671464 510724719 /nfs/dbraw/zinc/72/47/19/510724719.db2.gz MATUDIORXYAKER-UHFFFAOYSA-N 1 0 374.416 2.708 20 5 FFBDRO C[C@@H](Nc1ccc(C(=O)NC[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-])c1ccccn1 ZINC000178721086 510737331 /nfs/dbraw/zinc/73/73/31/510737331.db2.gz OJLRRZVAESOPFQ-UKRRQHHQSA-N 1 0 369.425 2.645 20 5 FFBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2C)[C@@H](C)C1 ZINC000246906193 510737436 /nfs/dbraw/zinc/73/74/36/510737436.db2.gz VOVZGNMBHUQSRW-YJBOKZPZSA-N 1 0 363.458 2.770 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCN(Cc2ccccn2)C[C@H]1C ZINC000178730426 510743451 /nfs/dbraw/zinc/74/34/51/510743451.db2.gz HIGNNOBBQDMSSD-BEFAXECRSA-N 1 0 370.453 2.999 20 5 FFBDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)c1ccccc1 ZINC000188405649 510750603 /nfs/dbraw/zinc/75/06/03/510750603.db2.gz RZYWHVOBFLQJOQ-GFCCVEGCSA-N 1 0 358.398 2.555 20 5 FFBDRO Cc1csc(C(C)(C)[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)n1 ZINC000266727309 510751969 /nfs/dbraw/zinc/75/19/69/510751969.db2.gz JNCBXBBGXHWBEN-ZDUSSCGKSA-N 1 0 351.428 2.624 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000246935967 510754498 /nfs/dbraw/zinc/75/44/98/510754498.db2.gz HIGNNOBBQDMSSD-HNAYVOBHSA-N 1 0 370.453 2.999 20 5 FFBDRO C[C@@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CC[N@@H+]1C ZINC000182146737 510780141 /nfs/dbraw/zinc/78/01/41/510780141.db2.gz VMXLGUQQEITABK-MNOVXSKESA-N 1 0 357.357 2.751 20 5 FFBDRO Cc1cnc([C@@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C2CC2)s1 ZINC000185269517 510781743 /nfs/dbraw/zinc/78/17/43/510781743.db2.gz KCLXMAXAROGRFZ-ZBFHGGJFSA-N 1 0 363.439 2.840 20 5 FFBDRO Cc1cc(S(=O)(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)ccc1[N+](=O)[O-] ZINC000178823276 510790763 /nfs/dbraw/zinc/79/07/63/510790763.db2.gz YJAJTYIQHNYAMS-HNNXBMFYSA-N 1 0 369.487 2.550 20 5 FFBDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000182176872 510797044 /nfs/dbraw/zinc/79/70/44/510797044.db2.gz JGFWEMUSFBAABL-DGCLKSJQSA-N 1 0 352.337 2.964 20 5 FFBDRO O=C(CCN1CCC[N@@H+](C2CCCC2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000172582799 510804135 /nfs/dbraw/zinc/80/41/35/510804135.db2.gz KWOUJNYLVKJXDF-UHFFFAOYSA-N 1 0 360.458 2.874 20 5 FFBDRO CC(=O)Nc1cccc([C@@H](C)[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000182205296 510812435 /nfs/dbraw/zinc/81/24/35/510812435.db2.gz CMWVWFOPRVAKOI-DYVFJYSZSA-N 1 0 373.409 2.644 20 5 FFBDRO Cc1cc(S(=O)(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000172610533 510819383 /nfs/dbraw/zinc/81/93/83/510819383.db2.gz AFMXDGVUUVTAAO-OAHLLOKOSA-N 1 0 367.471 2.542 20 5 FFBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H](c2ccsc2)[NH+](CC)CC)n1 ZINC000191771430 510823977 /nfs/dbraw/zinc/82/39/77/510823977.db2.gz UNKCFYRYTPAJOZ-CYBMUJFWSA-N 1 0 365.459 2.686 20 5 FFBDRO CCOCCC[N@@H+]1CC[C@H](NCc2cc([N+](=O)[O-])ccc2OC)[C@@H](C)C1 ZINC000247078840 510828195 /nfs/dbraw/zinc/82/81/95/510828195.db2.gz QSLYPOMPHPUGCX-YJBOKZPZSA-N 1 0 365.474 2.830 20 5 FFBDRO Cn1cc([C@@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)c2ccc(F)cc2)cn1 ZINC000185438242 510844615 /nfs/dbraw/zinc/84/46/15/510844615.db2.gz BXFMAUQKPICBRI-MOPGFXCFSA-N 1 0 370.384 2.880 20 5 FFBDRO CCN(CC)C(=O)CCC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000263805849 510846897 /nfs/dbraw/zinc/84/68/97/510846897.db2.gz LHMBXCJKOAOGFF-UHFFFAOYSA-N 1 0 373.457 2.734 20 5 FFBDRO Cn1cc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000247260237 510854660 /nfs/dbraw/zinc/85/46/60/510854660.db2.gz XPECEGDJMIGYJN-QFBILLFUSA-N 1 0 369.469 2.911 20 5 FFBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000247277522 510855035 /nfs/dbraw/zinc/85/50/35/510855035.db2.gz XBPQWHLJSFMMEP-ZWNOBZJWSA-N 1 0 370.247 2.770 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H](c2ccnn2C)C1 ZINC000360306183 510893972 /nfs/dbraw/zinc/89/39/72/510893972.db2.gz SJSGKBYXROOYNU-OAHLLOKOSA-N 1 0 371.441 2.845 20 5 FFBDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)C2)C1 ZINC000293913828 510897886 /nfs/dbraw/zinc/89/78/86/510897886.db2.gz HZVQOUHGRAVCQN-FQEVSTJZSA-N 1 0 372.469 2.753 20 5 FFBDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)C(F)(F)c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000294246438 511003927 /nfs/dbraw/zinc/00/39/27/511003927.db2.gz SHTUHLILXRTRKW-MRXNPFEDSA-N 1 0 353.369 2.631 20 5 FFBDRO CC[N@H+](CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])Cc1ccncc1 ZINC000271049692 511068616 /nfs/dbraw/zinc/06/86/16/511068616.db2.gz WTIHVEROYCOJNH-UHFFFAOYSA-N 1 0 358.398 2.849 20 5 FFBDRO COc1ccc([C@@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])[NH+]2CCCC2)cc1 ZINC000294525500 511093157 /nfs/dbraw/zinc/09/31/57/511093157.db2.gz ZAHCFACBAKUERR-QGZVFWFLSA-N 1 0 363.458 2.784 20 5 FFBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC(COc3ccc(Cl)nc3)CC2)n1 ZINC000364865115 511122421 /nfs/dbraw/zinc/12/24/21/511122421.db2.gz GDPFLYAGYXNTMS-UHFFFAOYSA-N 1 0 365.821 2.631 20 5 FFBDRO Cn1cc(C[N@@H+]2CCC3(C2)CCOCC3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000271226778 511129157 /nfs/dbraw/zinc/12/91/57/511129157.db2.gz RMPSHUNXPNRYJF-UHFFFAOYSA-N 1 0 356.426 2.998 20 5 FFBDRO CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCC[C@@H]([NH+]3CCCC3)CC2)s1 ZINC000271450005 511208916 /nfs/dbraw/zinc/20/89/16/511208916.db2.gz WZSJVBZGROQLNI-GFCCVEGCSA-N 1 0 373.500 2.515 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1SC ZINC000362958218 511278954 /nfs/dbraw/zinc/27/89/54/511278954.db2.gz PDPLYUNKRPDHQR-VXGBXAGGSA-N 1 0 365.455 2.682 20 5 FFBDRO CCC(=O)c1ccc(NC[C@@H](C(C)C)N2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000280020252 511306451 /nfs/dbraw/zinc/30/64/51/511306451.db2.gz JUFRMKNWSVTGED-SFHVURJKSA-N 1 0 362.474 2.871 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)c1 ZINC000291726415 511312425 /nfs/dbraw/zinc/31/24/25/511312425.db2.gz HXIJLSLYPDYSSF-KSSFIOAISA-N 1 0 369.421 2.996 20 5 FFBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@@](CO)(c2ccccc2)C1 ZINC000291762542 511328037 /nfs/dbraw/zinc/32/80/37/511328037.db2.gz LGPMXEOESRVMEP-MGPUTAFESA-N 1 0 369.421 2.558 20 5 FFBDRO CCOC(=O)c1cnn(C2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000295419174 511398984 /nfs/dbraw/zinc/39/89/84/511398984.db2.gz CIQRHVDKMKXNIQ-UHFFFAOYSA-N 1 0 372.425 2.848 20 5 FFBDRO C[C@@H](C[NH+](C)C)NC(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000334012528 511424200 /nfs/dbraw/zinc/42/42/00/511424200.db2.gz FBDAKBOEHZUFQS-KKUMJFAQSA-N 1 0 362.474 2.757 20 5 FFBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1 ZINC000272205183 511464439 /nfs/dbraw/zinc/46/44/39/511464439.db2.gz ZDHMXJJIGPLGPU-WFASDCNBSA-N 1 0 353.369 2.629 20 5 FFBDRO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)C1CCN(c2cnccn2)CC1 ZINC000365508992 511493406 /nfs/dbraw/zinc/49/34/06/511493406.db2.gz CGZAJXCCSFTHQV-UHFFFAOYSA-N 1 0 371.441 2.755 20 5 FFBDRO COC(=O)CC1(NCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CCCC1 ZINC000280515947 511495235 /nfs/dbraw/zinc/49/52/35/511495235.db2.gz ROQGLQZJJYVVOQ-UHFFFAOYSA-N 1 0 360.370 2.610 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000296013429 511588207 /nfs/dbraw/zinc/58/82/07/511588207.db2.gz NQMXLOORRQLIRP-ZTFGCOKTSA-N 1 0 359.426 2.779 20 5 FFBDRO COc1cc(-c2noc(-c3ccc([N+](=O)[O-])[nH]3)n2)ccc1OCC[NH+](C)C ZINC000273785006 511608158 /nfs/dbraw/zinc/60/81/58/511608158.db2.gz RWASINSLPSAYPC-UHFFFAOYSA-N 1 0 373.369 2.589 20 5 FFBDRO COCCN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H](C)c1ccccc1 ZINC000299383600 511616230 /nfs/dbraw/zinc/61/62/30/511616230.db2.gz HVLOTKUTMBTRKZ-AWEZNQCLSA-N 1 0 357.410 2.903 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000363559288 511628392 /nfs/dbraw/zinc/62/83/92/511628392.db2.gz ASNICQDCWXMBGB-HNNXBMFYSA-N 1 0 371.441 2.530 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](Cc2cnn(C)c2)C1 ZINC000363559290 511628981 /nfs/dbraw/zinc/62/89/81/511628981.db2.gz ASNICQDCWXMBGB-OAHLLOKOSA-N 1 0 371.441 2.530 20 5 FFBDRO CN1CCO[C@H]2CCN(Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)C[C@H]21 ZINC000284208956 511643052 /nfs/dbraw/zinc/64/30/52/511643052.db2.gz CCHXBFMBVMFXRP-SJORKVTESA-N 1 0 374.466 2.623 20 5 FFBDRO C[N@@H+]1CCC[C@]2(CCN(c3ncc([N+](=O)[O-])cc3Br)C2)C1 ZINC000292691246 511687027 /nfs/dbraw/zinc/68/70/27/511687027.db2.gz FMBSZBCPZNNDKN-AWEZNQCLSA-N 1 0 355.236 2.674 20 5 FFBDRO C[NH+]1CCC(Oc2ccc(CNC(=O)c3ccc([N+](=O)[O-])o3)cc2)CC1 ZINC000284392246 511706540 /nfs/dbraw/zinc/70/65/40/511706540.db2.gz GUGRQITZNDTUNG-UHFFFAOYSA-N 1 0 359.382 2.591 20 5 FFBDRO C[N@@H+]1CCC[C@]2(CCN(CC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C2)C1 ZINC000292837250 511740489 /nfs/dbraw/zinc/74/04/89/511740489.db2.gz AXDHAWKTMYPGLZ-KRWDZBQOSA-N 1 0 366.849 2.604 20 5 FFBDRO CN(C)C(=O)O[C@@H]1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000296521067 511779063 /nfs/dbraw/zinc/77/90/63/511779063.db2.gz AHXOHPHHEDHEBU-OAHLLOKOSA-N 1 0 360.370 2.522 20 5 FFBDRO CNC(=O)c1ccc(N[C@H](C)C[N@H+](C)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000311856748 511780571 /nfs/dbraw/zinc/78/05/71/511780571.db2.gz WVIMXQMFMUUQBH-CQSZACIVSA-N 1 0 356.426 2.887 20 5 FFBDRO C[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2N)CC[N@H+](Cc2ccccc2)C1 ZINC000324013819 511832985 /nfs/dbraw/zinc/83/29/85/511832985.db2.gz LVXOUIVSQKLNAO-OAHLLOKOSA-N 1 0 368.437 2.771 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000284857420 511901758 /nfs/dbraw/zinc/90/17/58/511901758.db2.gz RVQVVTREFMEGQZ-NVXWUHKLSA-N 1 0 363.414 2.575 20 5 FFBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CCN(C)[C@@H](c2nc(C3CC3)no2)C1 ZINC000284997486 511961912 /nfs/dbraw/zinc/96/19/12/511961912.db2.gz TWNZYTTWMHTWRQ-MLGOLLRUSA-N 1 0 357.414 2.905 20 5 FFBDRO Cn1cc(CN2CC[C@@]3(C2)CCC[N@H+](C)C3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000293609980 512025605 /nfs/dbraw/zinc/02/56/05/512025605.db2.gz JXNZFVRREYGQNB-FQEVSTJZSA-N 1 0 369.469 2.913 20 5 FFBDRO [NH3+]CC[C@@H]1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 ZINC000282046441 512058849 /nfs/dbraw/zinc/05/88/49/512058849.db2.gz VCFSYLNYTWLCOS-VIFPVBQESA-N 1 0 374.210 2.697 20 5 FFBDRO CS(=O)(=O)[C@H]1CCC[C@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000285306489 512071450 /nfs/dbraw/zinc/07/14/50/512071450.db2.gz SHRSVSKKFQBGLN-KBPBESRZSA-N 1 0 360.863 2.736 20 5 FFBDRO CC(C)C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCCc2cccnc21 ZINC000364342919 512094276 /nfs/dbraw/zinc/09/42/76/512094276.db2.gz WAMBOEGQVRLGSA-MSOLQXFVSA-N 1 0 373.457 2.583 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000375694823 512459509 /nfs/dbraw/zinc/45/95/09/512459509.db2.gz ZLLCTFVVUBEZRP-INIZCTEOSA-N 1 0 369.421 2.855 20 5 FFBDRO O=C(C[NH2+][C@@H](c1ccccc1)[C@H]1CCOC1)Nc1ccccc1[N+](=O)[O-] ZINC000371556544 512464656 /nfs/dbraw/zinc/46/46/56/512464656.db2.gz ZFDUCLOBYZYLCX-KXBFYZLASA-N 1 0 355.394 2.901 20 5 FFBDRO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)c1ccc([N+](=O)[O-])cn1 ZINC000378039719 512559534 /nfs/dbraw/zinc/55/95/34/512559534.db2.gz SSAKFGCUVKIPFS-UHFFFAOYSA-N 1 0 361.490 2.622 20 5 FFBDRO O=C(CC[N@@H+](CCCO)Cc1ccccc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411333431 512584560 /nfs/dbraw/zinc/58/45/60/512584560.db2.gz XBRCWWUQRCIHAE-UHFFFAOYSA-N 1 0 357.410 2.808 20 5 FFBDRO COC(=O)[C@H]1CCCC[C@@]1(C)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000411410973 512623508 /nfs/dbraw/zinc/62/35/08/512623508.db2.gz XGTNHVDKSUYXNY-FZKQIMNGSA-N 1 0 363.414 2.635 20 5 FFBDRO Cn1nccc1N1CCC[C@@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000376028128 512624399 /nfs/dbraw/zinc/62/43/99/512624399.db2.gz IKAQXWXZWJBEGB-MSOLQXFVSA-N 1 0 369.469 2.908 20 5 FFBDRO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@H+](CCc4cncs4)CC3)nc2c1 ZINC000411527767 512674814 /nfs/dbraw/zinc/67/48/14/512674814.db2.gz RAIJLZCXCAXYAH-UHFFFAOYSA-N 1 0 372.454 2.682 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCSCC[C@@H]1C ZINC000411629040 512726937 /nfs/dbraw/zinc/72/69/37/512726937.db2.gz ZSUZCBBQLMIMCM-LBPRGKRZSA-N 1 0 353.444 2.759 20 5 FFBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@H](c1ccccc1)C1CCOCC1 ZINC000378465510 512774449 /nfs/dbraw/zinc/77/44/49/512774449.db2.gz WQPLFQAAROAZLN-LJQANCHMSA-N 1 0 357.410 2.514 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000374347077 512781371 /nfs/dbraw/zinc/78/13/71/512781371.db2.gz ASOXSQFJOAUYAG-INIZCTEOSA-N 1 0 361.442 2.980 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000376484366 512838060 /nfs/dbraw/zinc/83/80/60/512838060.db2.gz MGEYAYXRAXDCHU-UHFFFAOYSA-N 1 0 357.414 2.835 20 5 FFBDRO COc1cccc([C@@H]2C[C@H](C)C[N@@H+]2CCn2cc([N+](=O)[O-])ccc2=O)c1 ZINC000378639138 512860619 /nfs/dbraw/zinc/86/06/19/512860619.db2.gz DPBGPSSFWATKAO-KSSFIOAISA-N 1 0 357.410 2.848 20 5 FFBDRO NC(=O)[C@@]1(c2ccccc2)CC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000411963906 512892440 /nfs/dbraw/zinc/89/24/40/512892440.db2.gz IADPXPPUHVLHII-SFHVURJKSA-N 1 0 359.813 2.877 20 5 FFBDRO O=C(CC[NH2+]C1(CO)C2CC3CC(C2)CC1C3)Nc1ccc([N+](=O)[O-])cc1 ZINC000411999842 512908164 /nfs/dbraw/zinc/90/81/64/512908164.db2.gz CJDUJPDVXNRTRV-UHFFFAOYSA-N 1 0 373.453 2.700 20 5 FFBDRO NC(=O)c1ccc(NC[C@H]2CCC[N@@H+]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000390708095 512910505 /nfs/dbraw/zinc/91/05/05/512910505.db2.gz SXSAVGPIUFEUCI-MRXNPFEDSA-N 1 0 354.410 2.770 20 5 FFBDRO O=C(N[C@@H]1CC[NH2+]C12CCCC2)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000401433157 512965060 /nfs/dbraw/zinc/96/50/60/512965060.db2.gz XZPNAQIEGMKGOR-CYBMUJFWSA-N 1 0 368.231 2.762 20 5 FFBDRO C[NH+](C)C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)c2ccccc2O1 ZINC000370503704 512967680 /nfs/dbraw/zinc/96/76/80/512967680.db2.gz WVXDEQPJTTWEKB-CYBMUJFWSA-N 1 0 359.357 2.703 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2CCO[C@]3(CCSC3)C2)n1 ZINC000408289726 513039046 /nfs/dbraw/zinc/03/90/46/513039046.db2.gz IVOXKICUOWMVBS-JYYAWHABSA-N 1 0 366.487 2.919 20 5 FFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000374865748 513044825 /nfs/dbraw/zinc/04/48/25/513044825.db2.gz SMBUCWNPFOYTFH-WMLDXEAASA-N 1 0 368.437 2.939 20 5 FFBDRO CSC1(CNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC[NH+](C)CC1 ZINC000412361765 513053622 /nfs/dbraw/zinc/05/36/22/513053622.db2.gz PWXAAWWDXCWHQV-JKSUJKDBSA-N 1 0 363.483 2.642 20 5 FFBDRO C[N@@H+]1CCCC12CCN(Cc1nc(-c3ccc([N+](=O)[O-])cc3)no1)CC2 ZINC000374976280 513094889 /nfs/dbraw/zinc/09/48/89/513094889.db2.gz FRNBGDCVPICEDR-UHFFFAOYSA-N 1 0 357.414 2.705 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+][C@H](C)c2cccc(O)c2)cc1[N+](=O)[O-] ZINC000428561085 513130080 /nfs/dbraw/zinc/13/00/80/513130080.db2.gz DHHISVVCBCBMJC-GFCCVEGCSA-N 1 0 360.366 2.703 20 5 FFBDRO CC(C)c1n[nH]c(C(=O)N(CC[NH+](C)C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000433854570 513167681 /nfs/dbraw/zinc/16/76/81/513167681.db2.gz XACYUHZBNUTICB-UHFFFAOYSA-N 1 0 359.430 2.645 20 5 FFBDRO [NH3+]CCC[C@H](NC(=O)NCCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000417772124 513202200 /nfs/dbraw/zinc/20/22/00/513202200.db2.gz WAIMSFOIFMEMLT-KRWDZBQOSA-N 1 0 356.426 2.917 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCCC1CC[NH+](C)CC1 ZINC000439889664 513205083 /nfs/dbraw/zinc/20/50/83/513205083.db2.gz BZTLTIHFTCXDOH-UHFFFAOYSA-N 1 0 350.419 2.847 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000439898856 513206521 /nfs/dbraw/zinc/20/65/21/513206521.db2.gz JAXTYSZEDHFNIV-ZDUSSCGKSA-N 1 0 350.419 2.799 20 5 FFBDRO C[C@H](NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000428966305 513236056 /nfs/dbraw/zinc/23/60/56/513236056.db2.gz KCJVORHZWGXPDQ-NWDGAFQWSA-N 1 0 355.822 2.521 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)cc1C ZINC000440077457 513240646 /nfs/dbraw/zinc/24/06/46/513240646.db2.gz LFWFUPGXMAVFSJ-WFASDCNBSA-N 1 0 369.487 2.610 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000428992591 513242734 /nfs/dbraw/zinc/24/27/34/513242734.db2.gz BHJFLFUFPOWLAJ-IDHHARJASA-N 1 0 374.485 2.894 20 5 FFBDRO C[C@@H](NC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1)[C@H]1CCC[NH2+]C1 ZINC000428997050 513246752 /nfs/dbraw/zinc/24/67/52/513246752.db2.gz RSAZOFDKBCYUBJ-INMHGKMJSA-N 1 0 374.485 2.949 20 5 FFBDRO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)NCC1CC[NH+](C2CC2)CC1 ZINC000429154962 513291895 /nfs/dbraw/zinc/29/18/95/513291895.db2.gz AWKDYEAWWXECRZ-UHFFFAOYSA-N 1 0 366.849 2.922 20 5 FFBDRO C[C@@H]1C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)Cc2ccccc2O1 ZINC000429183463 513301247 /nfs/dbraw/zinc/30/12/47/513301247.db2.gz FLNWKIHXRKQASK-RHSMWYFYSA-N 1 0 358.394 2.618 20 5 FFBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)NCCc3ccc(Cl)cc3[N+](=O)[O-])C[C@@H]21 ZINC000417991485 513320758 /nfs/dbraw/zinc/32/07/58/513320758.db2.gz NGBSTHUGNFJROD-VHDGCEQUSA-N 1 0 366.849 2.560 20 5 FFBDRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000417992001 513322200 /nfs/dbraw/zinc/32/22/00/513322200.db2.gz NWAHRWDAKZWCRR-FFMGESDNSA-N 1 0 366.849 2.606 20 5 FFBDRO CC[N@@H+]1CC[C@H](NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000412885468 513323529 /nfs/dbraw/zinc/32/35/29/513323529.db2.gz YPYIPAOEIRFREO-LBPRGKRZSA-N 1 0 371.387 2.784 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N3C[C@@H](C)[NH2+][C@H](C)C3)cc2[N+](=O)[O-])C1 ZINC000429382981 513360683 /nfs/dbraw/zinc/36/06/83/513360683.db2.gz DEQGOTHXLVXMLQ-RBSFLKMASA-N 1 0 360.458 2.654 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000415665374 513369076 /nfs/dbraw/zinc/36/90/76/513369076.db2.gz VDPXNAVQKFVHMP-UONOGXRCSA-N 1 0 362.430 2.847 20 5 FFBDRO C[C@@H]1CCN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C[C@@H]1C[NH3+] ZINC000418092000 513369276 /nfs/dbraw/zinc/36/92/76/513369276.db2.gz QOYMRMFVDRUVEW-PWSUYJOCSA-N 1 0 374.363 2.740 20 5 FFBDRO C[C@@H]1C[C@@H](NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC[NH2+]1 ZINC000418094550 513370460 /nfs/dbraw/zinc/37/04/60/513370460.db2.gz VAFHEORRDLRYIU-SKDRFNHKSA-N 1 0 360.336 2.553 20 5 FFBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000421701472 513374351 /nfs/dbraw/zinc/37/43/51/513374351.db2.gz HSIFVKMXPGQNCA-AWEZNQCLSA-N 1 0 360.439 2.885 20 5 FFBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000421703970 513377308 /nfs/dbraw/zinc/37/73/08/513377308.db2.gz NQNIORNVKZKPPQ-AWEZNQCLSA-N 1 0 360.439 2.885 20 5 FFBDRO CN(CC(C)(C)C[NH3+])C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415706980 513391024 /nfs/dbraw/zinc/39/10/24/513391024.db2.gz VXSJGSWKSIXNLT-UHFFFAOYSA-N 1 0 359.224 2.806 20 5 FFBDRO COC(=O)c1cc(NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc(C)c1[N+](=O)[O-] ZINC000440714256 513391110 /nfs/dbraw/zinc/39/11/10/513391110.db2.gz DMWXUSCORUHTFX-KBPBESRZSA-N 1 0 365.430 2.601 20 5 FFBDRO COCCO[C@H]1C[C@H](CO)C[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000447101480 513399313 /nfs/dbraw/zinc/39/93/13/513399313.db2.gz XKEBAFFYIDRKLY-IRXDYDNUSA-N 1 0 366.458 2.564 20 5 FFBDRO Cc1cc(N[C@H]2CCO[C@H](c3nccn3C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000450947092 513419695 /nfs/dbraw/zinc/41/96/95/513419695.db2.gz AZJSZMFNLJGMHB-UGSOOPFHSA-N 1 0 367.409 2.939 20 5 FFBDRO O=C(C[NH2+]C1(CCO)CCCCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000440897496 513432175 /nfs/dbraw/zinc/43/21/75/513432175.db2.gz VJWSJVXIYZNQFF-UHFFFAOYSA-N 1 0 355.822 2.862 20 5 FFBDRO CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c(C)cc2C)C[C@H]1[NH+]1CCCC1 ZINC000421806570 513438849 /nfs/dbraw/zinc/43/88/49/513438849.db2.gz ZULYNTNDKZGKRZ-IAGOWNOFSA-N 1 0 363.483 2.863 20 5 FFBDRO C[C@H](NC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)[C@H]1CCC[NH2+]C1 ZINC000418332718 513467794 /nfs/dbraw/zinc/46/77/94/513467794.db2.gz DLEUXTVVWKROLK-XIRDDKMYSA-N 1 0 360.458 2.872 20 5 FFBDRO Cn1c(Sc2nccc3ccc([N+](=O)[O-])cc32)nnc1[C@H]1CCC[NH2+]C1 ZINC000413139111 513474382 /nfs/dbraw/zinc/47/43/82/513474382.db2.gz DUGXYFUNKUMAOK-LBPRGKRZSA-N 1 0 370.438 2.890 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)cnc1NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000434960590 513475951 /nfs/dbraw/zinc/47/59/51/513475951.db2.gz VEZANKJCEDEKLJ-QGZVFWFLSA-N 1 0 362.817 2.692 20 5 FFBDRO Cc1ncsc1CN(C[C@@H]1CC[NH2+]C1)C(=O)c1ccccc1[N+](=O)[O-] ZINC000447448246 513479575 /nfs/dbraw/zinc/47/95/75/513479575.db2.gz LBSKCTPYJFYTBZ-CYBMUJFWSA-N 1 0 360.439 2.612 20 5 FFBDRO COC(=O)COc1ccc(C[N@@H+]2CCSC(C)(C)CC2)cc1[N+](=O)[O-] ZINC000435052965 513500067 /nfs/dbraw/zinc/50/00/67/513500067.db2.gz ZKACLZVOAGXHTC-UHFFFAOYSA-N 1 0 368.455 2.864 20 5 FFBDRO CC(C)[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000451075287 513500101 /nfs/dbraw/zinc/50/01/01/513500101.db2.gz AMBOJOGFAWIDFU-QGZVFWFLSA-N 1 0 374.485 2.616 20 5 FFBDRO Cc1cccc(C(=O)NCC[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000447533497 513500719 /nfs/dbraw/zinc/50/07/19/513500719.db2.gz XTYHMXDRVFARPL-IAGOWNOFSA-N 1 0 371.441 2.603 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000441191476 513508142 /nfs/dbraw/zinc/50/81/42/513508142.db2.gz BXIZPRVYZKVHGP-HOTGVXAUSA-N 1 0 361.442 2.980 20 5 FFBDRO CC[NH+]1CCC(N2CCCN(C(=O)c3cc([N+](=O)[O-])ccc3C)CC2)CC1 ZINC000422013385 513523222 /nfs/dbraw/zinc/52/32/22/513523222.db2.gz FIYLDTMOYQXEHV-UHFFFAOYSA-N 1 0 374.485 2.535 20 5 FFBDRO COc1ccc(OCC[NH+]2CCC3(CCC(O)CC3)CC2)c([N+](=O)[O-])c1 ZINC000451142355 513547889 /nfs/dbraw/zinc/54/78/89/513547889.db2.gz BQOFNFDTXXLXKS-UHFFFAOYSA-N 1 0 364.442 2.999 20 5 FFBDRO C[NH2+][C@@H]1CCN(Cc2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])C1 ZINC000435373670 513569150 /nfs/dbraw/zinc/56/91/50/513569150.db2.gz NXEVUXUOJHRGPU-QGZVFWFLSA-N 1 0 371.437 2.976 20 5 FFBDRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000418654272 513594723 /nfs/dbraw/zinc/59/47/23/513594723.db2.gz POMJOCQOIXJMSO-KRWDZBQOSA-N 1 0 356.426 2.999 20 5 FFBDRO O=[N+]([O-])c1cccc(OCC[NH2+][C@@H](C2CCOCC2)C2(CO)CCC2)c1 ZINC000425542445 513629666 /nfs/dbraw/zinc/62/96/66/513629666.db2.gz NRTCJDWSQGGSAU-SFHVURJKSA-N 1 0 364.442 2.521 20 5 FFBDRO CCn1ccnc1CN(Cc1ccccc1[N+](=O)[O-])[C@H]1CC12CC[NH2+]CC2 ZINC000435692091 513659304 /nfs/dbraw/zinc/65/93/04/513659304.db2.gz NURSSHZERYCHCD-SFHVURJKSA-N 1 0 369.469 2.956 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3C[C@H](O)C[C@@H]3[C@H]3CCCOC3)co2)cc1 ZINC000451302933 513663596 /nfs/dbraw/zinc/66/35/96/513663596.db2.gz LNBRRMVPEVDKEE-BMGDILEWSA-N 1 0 373.409 2.612 20 5 FFBDRO Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2C)n(C2CC[NH+](C)CC2)n1 ZINC000430496798 513667850 /nfs/dbraw/zinc/66/78/50/513667850.db2.gz HJOZUJHQFNNJFH-UHFFFAOYSA-N 1 0 357.414 2.927 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC([NH2+]CC2CC2)CC1 ZINC000430545531 513682652 /nfs/dbraw/zinc/68/26/52/513682652.db2.gz BPVJXQOQAZQEJG-UHFFFAOYSA-N 1 0 360.458 2.696 20 5 FFBDRO COc1cccc(C(=O)Nc2cc(C)nn2C2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000435814421 513689972 /nfs/dbraw/zinc/68/99/72/513689972.db2.gz VGWVBDLVPZQGER-UHFFFAOYSA-N 1 0 373.413 2.627 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000451344438 513690340 /nfs/dbraw/zinc/69/03/40/513690340.db2.gz PQQCJBRYMRLTFB-INMHGKMJSA-N 1 0 361.442 2.857 20 5 FFBDRO O=C(NCC[NH+]1CCCC1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000435834318 513694711 /nfs/dbraw/zinc/69/47/11/513694711.db2.gz IFKJHPNKGXMWFB-UHFFFAOYSA-N 1 0 371.387 2.785 20 5 FFBDRO C[NH+](C)C1(CNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])CC1 ZINC000416308181 513702304 /nfs/dbraw/zinc/70/23/04/513702304.db2.gz OXVCPNNZJYWCPB-UHFFFAOYSA-N 1 0 369.421 2.998 20 5 FFBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H]2C[C@](C)(OC)C2(C)C)c([N+](=O)[O-])c1 ZINC000451485182 513781152 /nfs/dbraw/zinc/78/11/52/513781152.db2.gz IGXBZJLRJCUXCA-GYOIFBIXSA-N 1 0 365.430 2.724 20 5 FFBDRO CN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(C)(C)C[NH+]1CCCC1 ZINC000419374052 513791020 /nfs/dbraw/zinc/79/10/20/513791020.db2.gz NQCGLHXSATYKRK-UHFFFAOYSA-N 1 0 359.430 2.951 20 5 FFBDRO CO[C@@H]1[C@H](C)[C@@H]([NH2+]CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1(C)C ZINC000451509816 513798404 /nfs/dbraw/zinc/79/84/04/513798404.db2.gz ZLDBOHBMIMUWGZ-HFBAOOFYSA-N 1 0 363.414 2.542 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](CC3CCS(=O)(=O)CC3)C2)cc1 ZINC000451546312 513823662 /nfs/dbraw/zinc/82/36/62/513823662.db2.gz IQDXEMQRDLHFRW-INIZCTEOSA-N 1 0 352.456 2.599 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2nnc(C[NH2+][C@H]([C@@H](CO)C3CC3)C3CC3)o2)cc1 ZINC000451587044 513848692 /nfs/dbraw/zinc/84/86/92/513848692.db2.gz HJYOIOPIABFWSO-RDJZCZTQSA-N 1 0 358.398 2.532 20 5 FFBDRO CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000451592828 513854717 /nfs/dbraw/zinc/85/47/17/513854717.db2.gz ROUSMKSNOYDQIV-MCIONIFRSA-N 1 0 363.414 2.633 20 5 FFBDRO O=C(C[N@@H+]1CC2(CCOCC2)[C@@H]2CCC[C@@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000451628702 513874327 /nfs/dbraw/zinc/87/43/27/513874327.db2.gz PYWSNMBSNHBLEV-ZBFHGGJFSA-N 1 0 359.426 2.814 20 5 FFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1c2ccccc2C[C@@H]1C[NH3+] ZINC000422627788 513880949 /nfs/dbraw/zinc/88/09/49/513880949.db2.gz QLPXEBQLFGSFSB-IUODEOHRSA-N 1 0 357.435 2.992 20 5 FFBDRO C[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@H](C)[N@H+]1CCO ZINC000451654249 513890912 /nfs/dbraw/zinc/89/09/12/513890912.db2.gz BFAUZCKFDUGUEE-TXEJJXNPSA-N 1 0 361.364 2.501 20 5 FFBDRO [NH3+][C@@H]1CCCN(C(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000422697770 513906371 /nfs/dbraw/zinc/90/63/71/513906371.db2.gz WDWXQZVXBQJXDP-LLVKDONJSA-N 1 0 357.360 2.523 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422715454 513909765 /nfs/dbraw/zinc/90/97/65/513909765.db2.gz MEJYGEBOALSARO-YLJYHZDGSA-N 1 0 369.421 2.949 20 5 FFBDRO C[NH2+]C[C@@H](C)CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000422823990 513941946 /nfs/dbraw/zinc/94/19/46/513941946.db2.gz FTYVGGMVQSNORA-SNVBAGLBSA-N 1 0 359.376 2.545 20 5 FFBDRO C[NH2+]C[C@@H](C)CNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000422833779 513945000 /nfs/dbraw/zinc/94/50/00/513945000.db2.gz WOWCVCHQMMUJQC-SNVBAGLBSA-N 1 0 359.376 2.545 20 5 FFBDRO C[C@H]([NH2+]C[C@@H](O)Cn1ccnn1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000414198115 514007482 /nfs/dbraw/zinc/00/74/82/514007482.db2.gz WBIUKQUWJOFZGE-QWHCGFSZSA-N 1 0 373.438 2.627 20 5 FFBDRO CCOc1ccc([C@@H](C)[NH2+]CCC(C)(C)S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000414253155 514023740 /nfs/dbraw/zinc/02/37/40/514023740.db2.gz IDFIXOGMERWBKP-GFCCVEGCSA-N 1 0 358.460 2.857 20 5 FFBDRO CCOc1ccc([C@@H](C)[NH2+]CC2(CS(C)(=O)=O)CCC2)cc1[N+](=O)[O-] ZINC000414329624 514050535 /nfs/dbraw/zinc/05/05/35/514050535.db2.gz OUWGOFXSFPJGKY-CYBMUJFWSA-N 1 0 370.471 2.859 20 5 FFBDRO O=[N+]([O-])c1ccccc1C[C@H](Nc1ccc(N2CC[NH2+]CC2)cn1)C1CC1 ZINC000423237989 514089207 /nfs/dbraw/zinc/08/92/07/514089207.db2.gz UOXCXXUXGUZBMY-SFHVURJKSA-N 1 0 367.453 2.833 20 5 FFBDRO CC(C)OCCOC1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000451951764 514091019 /nfs/dbraw/zinc/09/10/19/514091019.db2.gz MKMBHJLWJIBAQQ-UHFFFAOYSA-N 1 0 352.431 2.880 20 5 FFBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000437184776 514109707 /nfs/dbraw/zinc/10/97/07/514109707.db2.gz DOMCXXUFKCTTFL-GXTWGEPZSA-N 1 0 369.849 2.958 20 5 FFBDRO COc1cc(CN[C@@H]2CC[NH2+]CC2(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000420361385 514110193 /nfs/dbraw/zinc/11/01/93/514110193.db2.gz MEQHBOUAWAJRHK-CQSZACIVSA-N 1 0 359.373 2.683 20 5 FFBDRO COC(=O)[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)C[C@H]1c1ccccc1 ZINC000452010800 514133956 /nfs/dbraw/zinc/13/39/56/514133956.db2.gz WFOCZKRHYOJPJL-ZWKOTPCHSA-N 1 0 370.405 2.992 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2noc(CN3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)n2)c1 ZINC000420413081 514139435 /nfs/dbraw/zinc/13/94/35/514139435.db2.gz ZPFVPAUHDQNXPO-GDBMZVCRSA-N 1 0 357.414 2.609 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(S(C)(=O)=O)s1 ZINC000449272122 514140476 /nfs/dbraw/zinc/14/04/76/514140476.db2.gz KXJIVNSCVJYHLN-LLVKDONJSA-N 1 0 354.453 2.781 20 5 FFBDRO Cc1cc(N2CCC[C@H]([NH2+][C@@H](C)Cc3ccccc3[N+](=O)[O-])C2)n(C)n1 ZINC000449285509 514145260 /nfs/dbraw/zinc/14/52/60/514145260.db2.gz RYJPTIWJUKKQRX-YOEHRIQHSA-N 1 0 357.458 2.826 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000449323395 514166921 /nfs/dbraw/zinc/16/69/21/514166921.db2.gz UVOKHSBOPSGAHE-WBVHZDCISA-N 1 0 360.458 2.796 20 5 FFBDRO CCS(=O)(=O)CCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000414547974 514173296 /nfs/dbraw/zinc/17/32/96/514173296.db2.gz WJJRISHVNDZTLM-UHFFFAOYSA-N 1 0 352.412 2.769 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3CCCN(CCCO)C3)o2)cc1 ZINC000449393420 514192295 /nfs/dbraw/zinc/19/22/95/514192295.db2.gz BXJXQBZPMZKIDG-MRXNPFEDSA-N 1 0 359.426 2.791 20 5 FFBDRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000423660479 514195384 /nfs/dbraw/zinc/19/53/84/514195384.db2.gz AMNZDEFVAPPENF-LAQFHYBYSA-N 1 0 355.419 2.694 20 5 FFBDRO C[C@H]1C[C@H](Nc2c(C(N)=O)cccc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000420602232 514196981 /nfs/dbraw/zinc/19/69/81/514196981.db2.gz OLQWAHCQYMZJKM-ZFWWWQNUSA-N 1 0 354.410 2.769 20 5 FFBDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420601473 514197114 /nfs/dbraw/zinc/19/71/14/514197114.db2.gz NMMWGPSMGAJJLA-INIZCTEOSA-N 1 0 368.437 2.652 20 5 FFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC1(CF)CCOCC1 ZINC000449489084 514226710 /nfs/dbraw/zinc/22/67/10/514226710.db2.gz ODLMSKFLVFOPQQ-CYBMUJFWSA-N 1 0 353.394 2.668 20 5 FFBDRO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000449585316 514263819 /nfs/dbraw/zinc/26/38/19/514263819.db2.gz KVSOQTXSMDQSOR-WQVCFCJDSA-N 1 0 363.414 2.633 20 5 FFBDRO CCOc1cc(NC(=O)N2CC[C@H]([C@H](C)[NH3+])C2)c([N+](=O)[O-])cc1OCC ZINC000414753405 514275988 /nfs/dbraw/zinc/27/59/88/514275988.db2.gz DNEAEBIQSHXZKW-RYUDHWBXSA-N 1 0 366.418 2.593 20 5 FFBDRO CCOc1cc(NC(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)c([N+](=O)[O-])cc1OCC ZINC000414756199 514276519 /nfs/dbraw/zinc/27/65/19/514276519.db2.gz IZKNBUNPMVZDAN-NWDGAFQWSA-N 1 0 366.418 2.593 20 5 FFBDRO CN(C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H](C[NH3+])C1CC1 ZINC000423944255 514301397 /nfs/dbraw/zinc/30/13/97/514301397.db2.gz HJESVTRVITXFQX-AWEZNQCLSA-N 1 0 374.363 2.611 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N[C@@H]3CC[C@@H](C[NH3+])C3)cc2[N+](=O)[O-])CC1 ZINC000449706528 514314485 /nfs/dbraw/zinc/31/44/85/514314485.db2.gz AYSDMTROEMXTCH-GDBMZVCRSA-N 1 0 360.458 2.688 20 5 FFBDRO C[C@H]1CCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@@H]1C[NH3+] ZINC000423997772 514328371 /nfs/dbraw/zinc/32/83/71/514328371.db2.gz AGRSONAQAUNDGV-AAEUAGOBSA-N 1 0 360.439 2.775 20 5 FFBDRO COc1cc(CN[C@H]2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000414907061 514349891 /nfs/dbraw/zinc/34/98/91/514349891.db2.gz AIGRMUCGXLKWDZ-RYUDHWBXSA-N 1 0 359.373 2.607 20 5 FFBDRO CCc1ccc([C@H]([NH2+]C[C@@]2(O)CCO[C@H]2C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000433014115 514350977 /nfs/dbraw/zinc/35/09/77/514350977.db2.gz QWMGUBCKMYQJMI-BKTGTZMESA-N 1 0 360.410 2.969 20 5 FFBDRO C[C@@H]1CN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@@]1(C)C[NH3+] ZINC000414944224 514368248 /nfs/dbraw/zinc/36/82/48/514368248.db2.gz GIYDQZGJSANBPY-RFAUZJTJSA-N 1 0 358.345 2.645 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000424074366 514369667 /nfs/dbraw/zinc/36/96/67/514369667.db2.gz NYCGVFINEHGJCQ-VOAKCMCISA-N 1 0 369.849 2.847 20 5 FFBDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000414954630 514374474 /nfs/dbraw/zinc/37/44/74/514374474.db2.gz SUHHQVJOKTUHMX-VHSXEESVSA-N 1 0 358.345 2.787 20 5 FFBDRO C[C@H]1OCC[C@]1(O)C[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000433174816 514405722 /nfs/dbraw/zinc/40/57/22/514405722.db2.gz MBEWFRKSIHKZEV-QRWLVFNGSA-N 1 0 371.437 2.992 20 5 FFBDRO COc1ccc(-c2ccc(C[NH2+]C[C@H]3CCCC(=O)N3)o2)c([N+](=O)[O-])c1 ZINC000433194449 514415703 /nfs/dbraw/zinc/41/57/03/514415703.db2.gz NGFWVIQVOYJDKN-GFCCVEGCSA-N 1 0 359.382 2.622 20 5 FFBDRO COCC[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H]1CCCSC1 ZINC000433201649 514421246 /nfs/dbraw/zinc/42/12/46/514421246.db2.gz MVPWFIYKPHDPDR-HNNXBMFYSA-N 1 0 368.455 2.805 20 5 FFBDRO [NH3+]C1(c2noc(-c3ccc([N+](=O)[O-])c(-n4ccnc4)c3)n2)CCCCC1 ZINC000424338852 514458652 /nfs/dbraw/zinc/45/86/52/514458652.db2.gz BFSWMBPBNCPBDK-UHFFFAOYSA-N 1 0 354.370 2.949 20 5 FFBDRO Cn1cc([C@@H]2CN(Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)C[C@H]2[NH3+])cn1 ZINC000424368567 514464377 /nfs/dbraw/zinc/46/43/77/514464377.db2.gz ANPBOKWZQDHTDT-ZWKOTPCHSA-N 1 0 367.409 2.515 20 5 FFBDRO Cn1cc([C@@H]2CN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C[C@H]2[NH3+])cn1 ZINC000424377657 514465449 /nfs/dbraw/zinc/46/54/49/514465449.db2.gz MLCLZDBZPFQUJD-ZWKOTPCHSA-N 1 0 367.409 2.515 20 5 FFBDRO O=C1C[C@@H]([N@@H+]2CCCC3(CCCC3)C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000445480712 514486069 /nfs/dbraw/zinc/48/60/69/514486069.db2.gz ISWVCRREBFMLAR-MRXNPFEDSA-N 1 0 357.410 2.883 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC1CCC([NH+](C)C)CC1 ZINC000421120208 514492555 /nfs/dbraw/zinc/49/25/55/514492555.db2.gz MIZKYHKCJMFBHH-UHFFFAOYSA-N 1 0 350.419 2.988 20 5 FFBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000439118516 514497161 /nfs/dbraw/zinc/49/71/61/514497161.db2.gz WPGZVBXWZUGXIW-UHFFFAOYSA-N 1 0 357.757 2.812 20 5 FFBDRO COc1cccc([C@H](CNc2ncc([N+](=O)[O-])c(C)n2)[NH+]2CCCC2)c1 ZINC000450219092 514549284 /nfs/dbraw/zinc/54/92/84/514549284.db2.gz BTAAGWJUGWRYIF-KRWDZBQOSA-N 1 0 357.414 2.951 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H](C2CC2)C2CCCC2)cc1 ZINC000453196627 514568334 /nfs/dbraw/zinc/56/83/34/514568334.db2.gz RCMNTGPIJAGFTA-QGZVFWFLSA-N 1 0 352.456 2.927 20 5 FFBDRO CC(C)NC(=O)c1ccc(NC[C@@]2([NH+](C)C)CCSC2)c([N+](=O)[O-])c1 ZINC000479467568 514594991 /nfs/dbraw/zinc/59/49/91/514594991.db2.gz QEKTVGTTYFTJHL-KRWDZBQOSA-N 1 0 366.487 2.582 20 5 FFBDRO COc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccsc2)cc1[N+](=O)[O-] ZINC000458207816 514629020 /nfs/dbraw/zinc/62/90/20/514629020.db2.gz WWIZYBIKXZBOGV-UHFFFAOYSA-N 1 0 363.439 2.869 20 5 FFBDRO CCOC(=O)c1ccnc(NCc2ccc(CC[NH+](C)C)cc2)c1[N+](=O)[O-] ZINC000466446987 514650411 /nfs/dbraw/zinc/65/04/11/514650411.db2.gz VIBPVWPNEXGAAY-UHFFFAOYSA-N 1 0 372.425 2.883 20 5 FFBDRO O=C(NCCCCC[NH+]1CCCC1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000508072931 514656730 /nfs/dbraw/zinc/65/67/30/514656730.db2.gz URRRLEPBWDJDIJ-UHFFFAOYSA-N 1 0 371.441 2.776 20 5 FFBDRO CC(C)c1ccc(C[NH2+]CCN2C(=O)NC3(CCCC3)C2=O)cc1[N+](=O)[O-] ZINC000479616438 514658109 /nfs/dbraw/zinc/65/81/09/514658109.db2.gz SZYXCGIOKJLCRG-UHFFFAOYSA-N 1 0 374.441 2.672 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000475445548 514665715 /nfs/dbraw/zinc/66/57/15/514665715.db2.gz KQZRSUZIIPJYFM-CQSZACIVSA-N 1 0 367.833 2.575 20 5 FFBDRO CCOc1cc(N2CC[NH+](C[C@H]3CCO[C@@H](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000475513903 514696889 /nfs/dbraw/zinc/69/68/89/514696889.db2.gz VWGZLEIXQJSSRF-HOTGVXAUSA-N 1 0 363.458 2.931 20 5 FFBDRO COc1ccc(NC(=O)C[NH2+][C@@H]2CCCC[C@H]2OC(F)F)c([N+](=O)[O-])c1 ZINC000502579803 514703096 /nfs/dbraw/zinc/70/30/96/514703096.db2.gz DZBRUKKVOXYLIX-TZMCWYRMSA-N 1 0 373.356 2.682 20 5 FFBDRO COc1c[nH+]ccc1N1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000475628902 514740183 /nfs/dbraw/zinc/74/01/83/514740183.db2.gz WFPZMNVVODNWCF-UHFFFAOYSA-N 1 0 362.817 2.974 20 5 FFBDRO C[NH+](C)C1(CNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CCCC1 ZINC000489222245 514757992 /nfs/dbraw/zinc/75/79/92/514757992.db2.gz HBDLERGSKKNIQZ-UHFFFAOYSA-N 1 0 357.357 2.800 20 5 FFBDRO COc1cc(C[N@@H+]2CCC[C@@H]2CN2C[C@@H](C)O[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000489231143 514761332 /nfs/dbraw/zinc/76/13/32/514761332.db2.gz IPQZPDOHUQGPPA-BFYDXBDKSA-N 1 0 363.458 2.677 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)Cc1cccc(C)n1 ZINC000471195930 514792583 /nfs/dbraw/zinc/79/25/83/514792583.db2.gz LWTMOVDORWAKMI-UHFFFAOYSA-N 1 0 358.398 2.767 20 5 FFBDRO CC[C@H](O)C[NH+]1CCN(c2cc(C)c([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000461947010 514799592 /nfs/dbraw/zinc/79/95/92/514799592.db2.gz IDAGTVCFFFSTAY-LBPRGKRZSA-N 1 0 361.364 2.815 20 5 FFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000466923250 514829730 /nfs/dbraw/zinc/82/97/30/514829730.db2.gz JFNHNDHENWGVBG-KDOFPFPSSA-N 1 0 360.458 2.998 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(CC[NH3+])Cc1ccccc1 ZINC000466986063 514852289 /nfs/dbraw/zinc/85/22/89/514852289.db2.gz SBOFRHUXSVLPBI-UHFFFAOYSA-N 1 0 356.426 2.693 20 5 FFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000462160211 514918320 /nfs/dbraw/zinc/91/83/20/514918320.db2.gz UPJYDKACXWLFAS-KUHUBIRLSA-N 1 0 371.412 2.913 20 5 FFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000462190957 514933432 /nfs/dbraw/zinc/93/34/32/514933432.db2.gz RNCWPDHHSNVFGO-FZKQIMNGSA-N 1 0 357.385 2.984 20 5 FFBDRO C[NH+](C)C1(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCCCCC1 ZINC000489776959 514971617 /nfs/dbraw/zinc/97/16/17/514971617.db2.gz NJJDCPCYIMZPGX-UHFFFAOYSA-N 1 0 355.460 2.528 20 5 FFBDRO CCOCC[NH+]1CCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC1 ZINC000485398113 515024401 /nfs/dbraw/zinc/02/44/01/515024401.db2.gz GJNHJIYMFIQNCY-UHFFFAOYSA-N 1 0 374.416 2.954 20 5 FFBDRO C[C@H]1CCCN(c2ccc(C(=O)N3CC[N@H+](C)CC[C@@H]3C)cc2[N+](=O)[O-])C1 ZINC000498705635 515031705 /nfs/dbraw/zinc/03/17/05/515031705.db2.gz ITAIVZWCIDWYJH-HOTGVXAUSA-N 1 0 374.485 2.997 20 5 FFBDRO C[C@@H]1CC[N@H+](C)CCN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000498710592 515035420 /nfs/dbraw/zinc/03/54/20/515035420.db2.gz PYCCSPNIPJWSTG-MRXNPFEDSA-N 1 0 363.461 2.707 20 5 FFBDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000503483696 515050278 /nfs/dbraw/zinc/05/02/78/515050278.db2.gz CGOIJAWPSTVNCE-HNNXBMFYSA-N 1 0 372.425 2.755 20 5 FFBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1cccc(NS(C)(=O)=O)c1 ZINC000468008171 515195214 /nfs/dbraw/zinc/19/52/14/515195214.db2.gz ZWRMWGNBFCOBFK-ZDUSSCGKSA-N 1 0 363.439 2.860 20 5 FFBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000485903448 515249655 /nfs/dbraw/zinc/24/96/55/515249655.db2.gz DXTULWNTUKHQEW-NWDGAFQWSA-N 1 0 355.385 2.652 20 5 FFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]Cc1c2c(nn1C)CCCC2 ZINC000462817287 515256819 /nfs/dbraw/zinc/25/68/19/515256819.db2.gz NJIKBGPDXMNYBI-CYBMUJFWSA-N 1 0 371.441 2.714 20 5 FFBDRO Cc1c(NC(=O)[C@@H](C)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)cccc1[N+](=O)[O-] ZINC000472460616 515276876 /nfs/dbraw/zinc/27/68/76/515276876.db2.gz DSOFNTWOFDWORE-WBVHZDCISA-N 1 0 374.485 2.894 20 5 FFBDRO CCC[NH+]1CCC(CNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000486053940 515315673 /nfs/dbraw/zinc/31/56/73/515315673.db2.gz NPCVPRUZAMXXTE-UHFFFAOYSA-N 1 0 355.385 2.654 20 5 FFBDRO COc1ccc(-c2ccc(CN3CC(=O)N(C)[C@H](C)C3)o2)c([N+](=O)[O-])c1 ZINC000504541554 515323877 /nfs/dbraw/zinc/32/38/77/515323877.db2.gz NAENUNMVPPXKPI-GFCCVEGCSA-N 1 0 359.382 2.526 20 5 FFBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[NH+](C(C)(C)CC(C)(C)C)CC2)n1 ZINC000456689825 515353919 /nfs/dbraw/zinc/35/39/19/515353919.db2.gz IQUPLGNTSISSLY-UHFFFAOYSA-N 1 0 365.478 2.784 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000509978972 515388799 /nfs/dbraw/zinc/38/87/99/515388799.db2.gz HVSAJGDYSKABPP-QGZVFWFLSA-N 1 0 369.421 2.673 20 5 FFBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000499670366 515405609 /nfs/dbraw/zinc/40/56/09/515405609.db2.gz QJEBOZBGKXSUGW-MRXNPFEDSA-N 1 0 371.441 2.775 20 5 FFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCCN1CCC[C@H]1C(=O)N(C)C ZINC000468643168 515449658 /nfs/dbraw/zinc/44/96/58/515449658.db2.gz OHZACYOTRQUFAH-AGWAZZAUSA-N 1 0 374.485 2.530 20 5 FFBDRO C[C@H]1C[C@H](CCNC(=O)c2cc([N+](=O)[O-])c[nH]2)C[N@@H+]1Cc1ccccc1 ZINC000510231774 515476775 /nfs/dbraw/zinc/47/67/75/515476775.db2.gz ZIGDTZGKQLKOPV-HOCLYGCPSA-N 1 0 356.426 2.953 20 5 FFBDRO COc1cc(C[NH2+][C@@H]2CCN(c3ccccc3F)C2)c([N+](=O)[O-])cc1O ZINC000492081930 515499427 /nfs/dbraw/zinc/49/94/27/515499427.db2.gz MIDZRCBVNZRWLI-CYBMUJFWSA-N 1 0 361.373 2.817 20 5 FFBDRO CC[C@H](C)[NH2+][C@@H](CNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccco1 ZINC000510363079 515517036 /nfs/dbraw/zinc/51/70/36/515517036.db2.gz KKPIBXDGDOIKIG-STQMWFEESA-N 1 0 367.427 2.596 20 5 FFBDRO O=[N+]([O-])c1ccn(C2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)n1 ZINC000459425851 515544805 /nfs/dbraw/zinc/54/48/05/515544805.db2.gz MIGVSGKULGNPEC-SFHVURJKSA-N 1 0 355.442 2.703 20 5 FFBDRO COc1cc(C[NH2+][C@@H](C)c2ccc3c(c2)NC(=O)CO3)ccc1[N+](=O)[O-] ZINC000492727981 515560603 /nfs/dbraw/zinc/56/06/03/515560603.db2.gz MCXNXESOVVBRKJ-NSHDSACASA-N 1 0 357.366 2.785 20 5 FFBDRO O=[N+]([O-])c1cccnc1N1CC[NH+](CCCOCc2ccccc2)CC1 ZINC000459514028 515609796 /nfs/dbraw/zinc/60/97/96/515609796.db2.gz RSKMADWEKDEOHA-UHFFFAOYSA-N 1 0 356.426 2.719 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC3(CCCC3)[C@@H]2c2ccccc2)c1 ZINC000459568207 515657281 /nfs/dbraw/zinc/65/72/81/515657281.db2.gz BDYUYHIEOBTUQP-MSOLQXFVSA-N 1 0 356.426 2.770 20 5 FFBDRO C[NH+](C)CCCC1CCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000486902755 515678609 /nfs/dbraw/zinc/67/86/09/515678609.db2.gz PDSARFJNHRMMIA-UHFFFAOYSA-N 1 0 369.412 2.996 20 5 FFBDRO C[C@@H]1[C@@H](NC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CCC[N@@H+]1C ZINC000454785926 515744057 /nfs/dbraw/zinc/74/40/57/515744057.db2.gz NDKQJPWBFVVXRU-KYJSFNMBSA-N 1 0 360.458 2.967 20 5 FFBDRO C[C@H]1CN(c2ccc3ncccc3c2[N+](=O)[O-])CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000487092478 515755353 /nfs/dbraw/zinc/75/53/53/515755353.db2.gz JJMOSGMDFPFHSB-YJBOKZPZSA-N 1 0 369.469 2.605 20 5 FFBDRO CN1C(=O)C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000482727099 515784934 /nfs/dbraw/zinc/78/49/34/515784934.db2.gz VUEVXGOWPWXCEE-AEFFLSMTSA-N 1 0 361.348 2.935 20 5 FFBDRO C[C@@H](C[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000459806273 515818218 /nfs/dbraw/zinc/81/82/18/515818218.db2.gz MNEVEHJZFUDDPH-ZDUSSCGKSA-N 1 0 365.430 2.833 20 5 FFBDRO C[C@@H](C[N@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C ZINC000459808461 515821920 /nfs/dbraw/zinc/82/19/20/515821920.db2.gz OWISYXUYBKGMAO-STQMWFEESA-N 1 0 365.430 2.831 20 5 FFBDRO CCN(CCn1ccc([N+](=O)[O-])n1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000478437697 515823228 /nfs/dbraw/zinc/82/32/28/515823228.db2.gz QCGNYTPNZABYCL-FUHWJXTLSA-N 1 0 357.458 2.949 20 5 FFBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C[C@@H](C)C1 ZINC000494386540 515826809 /nfs/dbraw/zinc/82/68/09/515826809.db2.gz NRJHDLZJNSYKCA-MQIPJXDCSA-N 1 0 350.394 2.928 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+]C[C@H]2CCCCS2)cc1[N+](=O)[O-] ZINC000473988937 515832897 /nfs/dbraw/zinc/83/28/97/515832897.db2.gz XIFLUZOFCDAGNE-CYBMUJFWSA-N 1 0 354.428 2.522 20 5 FFBDRO CC(C)(CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000482941169 515857942 /nfs/dbraw/zinc/85/79/42/515857942.db2.gz BBNCJXRXLBJNJG-UHFFFAOYSA-N 1 0 371.441 2.632 20 5 FFBDRO CC[N@@H+]1CCN(Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000511607984 515960801 /nfs/dbraw/zinc/96/08/01/515960801.db2.gz ANQUJOVMEALUHR-LLVKDONJSA-N 1 0 359.373 2.731 20 5 FFBDRO O=C(NCCC[NH+]1CCCC1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000457548617 515962256 /nfs/dbraw/zinc/96/22/56/515962256.db2.gz ZPGNIKBDYPLEBR-QGZVFWFLSA-N 1 0 360.458 2.970 20 5 FFBDRO COc1c[nH+]ccc1N1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000483213883 515988293 /nfs/dbraw/zinc/98/82/93/515988293.db2.gz MSTZSWXUFMMPRO-UHFFFAOYSA-N 1 0 362.817 2.974 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+][C@H]2C[C@@H]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000474369651 516015371 /nfs/dbraw/zinc/01/53/71/516015371.db2.gz JEKNYEBIMNDBBP-IRXDYDNUSA-N 1 0 370.405 2.867 20 5 FFBDRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)Nc1ccncc1[N+](=O)[O-])[NH+](C)C ZINC000478949072 516016740 /nfs/dbraw/zinc/01/67/40/516016740.db2.gz HLQAXLIEBPYXCC-SUMWQHHRSA-N 1 0 357.414 2.533 20 5 FFBDRO COc1c(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000474431920 516043464 /nfs/dbraw/zinc/04/34/64/516043464.db2.gz JCXYYVZIKDHZOT-HNNXBMFYSA-N 1 0 355.394 2.608 20 5 FFBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000507003300 516049473 /nfs/dbraw/zinc/04/94/73/516049473.db2.gz VRQGWRJIGPKUSX-CJNGLKHVSA-N 1 0 354.410 2.941 20 5 FFBDRO C[C@@]1(c2ccc(F)cc2)CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000483407400 516074172 /nfs/dbraw/zinc/07/41/72/516074172.db2.gz OCIHAJFUXPQZMQ-LJQANCHMSA-N 1 0 357.385 2.996 20 5 FFBDRO C[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C[C@@H]1OCCc2ccccc21 ZINC000507243642 516137666 /nfs/dbraw/zinc/13/76/66/516137666.db2.gz RPWMGTOBIXOGDK-PXNSSMCTSA-N 1 0 372.421 2.580 20 5 FFBDRO CCC[C@@H]1CN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC[N@@H+]1CCOC ZINC000470137382 516137934 /nfs/dbraw/zinc/13/79/34/516137934.db2.gz JYVWUJFZWRGYPE-OAHLLOKOSA-N 1 0 368.409 2.699 20 5 FFBDRO CCC[C@@H]1CN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC[N@@H+]1CCOC ZINC000501596652 516167601 /nfs/dbraw/zinc/16/76/01/516167601.db2.gz ZEDCGJGKSWCMAP-OAHLLOKOSA-N 1 0 374.441 2.649 20 5 FFBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)Nc3cc(Br)cc([N+](=O)[O-])c3)C[C@@H]21 ZINC000455406819 516181593 /nfs/dbraw/zinc/18/15/93/516181593.db2.gz WDXPNVWDTQTKJV-RNCFNFMXSA-N 1 0 369.219 2.525 20 5 FFBDRO CC[N@@H+]1CCC[C@H](CNC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000507382302 516195981 /nfs/dbraw/zinc/19/59/81/516195981.db2.gz QBRICBYJXQOJSY-QGZVFWFLSA-N 1 0 362.474 2.949 20 5 FFBDRO CC1(C)CCC[N@H+](CCNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000470297879 516197884 /nfs/dbraw/zinc/19/78/84/516197884.db2.gz QHUKLEWNUICLPZ-UHFFFAOYSA-N 1 0 358.442 2.788 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC([N@H+](C)Cc2ccccc2)C1 ZINC000512408440 516267860 /nfs/dbraw/zinc/26/78/60/516267860.db2.gz HDBKKYVZOGHKQT-UHFFFAOYSA-N 1 0 355.394 2.560 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000557628678 516345952 /nfs/dbraw/zinc/34/59/52/516345952.db2.gz LTJOOEAHGKRWOL-OAHLLOKOSA-N 1 0 361.442 2.858 20 5 FFBDRO CC(C)[NH+]1CCC(N2CCN(c3c(F)cccc3[N+](=O)[O-])CC2)CC1 ZINC000557641294 516352559 /nfs/dbraw/zinc/35/25/59/516352559.db2.gz PHHOVCSSOZYDLS-UHFFFAOYSA-N 1 0 350.438 2.729 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2CCCOc3ccccc32)c1 ZINC000517556129 516361282 /nfs/dbraw/zinc/36/12/82/516361282.db2.gz GIICCSCZBRPECL-CRAIPNDOSA-N 1 0 358.394 2.838 20 5 FFBDRO Cc1cc(OCC(=O)NCc2ccc(C[NH+](C)C)cc2)ccc1[N+](=O)[O-] ZINC000561090184 516373588 /nfs/dbraw/zinc/37/35/88/516373588.db2.gz JHXANEKQGVNXIN-UHFFFAOYSA-N 1 0 357.410 2.660 20 5 FFBDRO Cc1c(Br)c(N(C)CCC[NH+]2CCCC2)ncc1[N+](=O)[O-] ZINC000513052956 516455694 /nfs/dbraw/zinc/45/56/94/516455694.db2.gz UTCRFHWAXKZJHU-UHFFFAOYSA-N 1 0 357.252 2.983 20 5 FFBDRO Cc1c[nH+]ccc1N1CCC(C(=O)NCc2ccccc2[N+](=O)[O-])CC1 ZINC000531442814 516470025 /nfs/dbraw/zinc/47/00/25/516470025.db2.gz PULJHEFMENFTKH-UHFFFAOYSA-N 1 0 354.410 2.831 20 5 FFBDRO CCc1nnc(NC(=O)[C@@H](C)[C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)s1 ZINC000513106081 516475772 /nfs/dbraw/zinc/47/57/72/516475772.db2.gz GOMYFCLDJKUZOK-QWRGUYRKSA-N 1 0 363.443 2.762 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCc2ccccc2OCC[NH+](C)C)c1 ZINC000543900292 516487012 /nfs/dbraw/zinc/48/70/12/516487012.db2.gz JWLINTPWOFTXEL-UHFFFAOYSA-N 1 0 373.409 2.934 20 5 FFBDRO COc1cc(C[NH2+][C@H](C)C[C@@H](C)O)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000543949785 516511447 /nfs/dbraw/zinc/51/14/47/516511447.db2.gz XMWNZJHRURTWKK-NXEZZACHSA-N 1 0 366.336 2.794 20 5 FFBDRO C[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc2n[nH]cc2c1 ZINC000513204574 516520173 /nfs/dbraw/zinc/52/01/73/516520173.db2.gz GPDSHWOKSUJUQU-LRDDRELGSA-N 1 0 356.382 2.562 20 5 FFBDRO CCCN(C(=O)c1c[nH]nc1[N+](=O)[O-])[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000547758230 516545431 /nfs/dbraw/zinc/54/54/31/516545431.db2.gz XBXZSNMJEVYIIT-INIZCTEOSA-N 1 0 371.441 2.835 20 5 FFBDRO C[C@@H]1C[C@H](NC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)C[N@@H+]1C1CC1 ZINC000554699309 516593375 /nfs/dbraw/zinc/59/33/75/516593375.db2.gz BWJWVVBPLNDRLV-OCCSQVGLSA-N 1 0 371.441 2.543 20 5 FFBDRO CCN(CC[NH+]1CCCCCC1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000558133099 516609446 /nfs/dbraw/zinc/60/94/46/516609446.db2.gz BZARTVJFTAZTAQ-QGZVFWFLSA-N 1 0 365.474 2.532 20 5 FFBDRO CC[NH+](CC)CCCN1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000554812559 516648010 /nfs/dbraw/zinc/64/80/10/516648010.db2.gz VWCLBRVEKNNPQX-UHFFFAOYSA-N 1 0 374.489 2.715 20 5 FFBDRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]CCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000551313260 516655613 /nfs/dbraw/zinc/65/56/13/516655613.db2.gz KEYWXGFWVOTMNJ-NVXWUHKLSA-N 1 0 354.472 2.863 20 5 FFBDRO COC(=O)c1cccc(OCC[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000554836058 516658337 /nfs/dbraw/zinc/65/83/37/516658337.db2.gz XWHMSUJLAMFUHW-UHFFFAOYSA-N 1 0 358.394 2.935 20 5 FFBDRO CC(=O)N1C[C@@H]2CCC[C@H](Nc3cc(C)[nH+]c4ccc([N+](=O)[O-])cc34)[C@@H]2C1 ZINC000561700549 516722345 /nfs/dbraw/zinc/72/23/45/516722345.db2.gz IPSKDMJWANGZSH-QGTPRVQTSA-N 1 0 368.437 2.932 20 5 FFBDRO CN(CCC[NH+](C)C)C(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000548048109 516726837 /nfs/dbraw/zinc/72/68/37/516726837.db2.gz RHHNNMJUPZCIKR-UHFFFAOYSA-N 1 0 373.403 2.983 20 5 FFBDRO C[N@@H+]1CC[C@@H](NC(=O)NCCc2ccccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000548094767 516758410 /nfs/dbraw/zinc/75/84/10/516758410.db2.gz OJWUUYCITFPYDK-MJGOQNOKSA-N 1 0 368.437 2.882 20 5 FFBDRO CCCc1n[nH]c(C(=O)N2CCC[C@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)c1[N+](=O)[O-] ZINC000524637203 516775587 /nfs/dbraw/zinc/77/55/87/516775587.db2.gz QDOODUOOWSHPIF-MJBXVCDLSA-N 1 0 363.462 2.748 20 5 FFBDRO Cc1cc(N2CCN(c3nccn3C)CC2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000555165649 516813179 /nfs/dbraw/zinc/81/31/79/516813179.db2.gz VJQUAHOOYHJTEI-UHFFFAOYSA-N 1 0 369.347 2.982 20 5 FFBDRO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000544613706 516838387 /nfs/dbraw/zinc/83/83/87/516838387.db2.gz LLDKJSASFXAWMR-OAHLLOKOSA-N 1 0 362.451 2.898 20 5 FFBDRO COc1ccc([C@H](C[NH+](C)C)NC(=O)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000551792762 516872311 /nfs/dbraw/zinc/87/23/11/516872311.db2.gz AMIRGVYRKGUBTE-SFHVURJKSA-N 1 0 357.410 2.945 20 5 FFBDRO C[C@]1(CNC(=O)c2ccc([N+](=O)[O-])cn2)CCC[N@@H+]1Cc1ccccc1 ZINC000548294180 516878990 /nfs/dbraw/zinc/87/89/90/516878990.db2.gz HXUAHERVSQVGCJ-LJQANCHMSA-N 1 0 354.410 2.774 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)C[C@H]1C ZINC000525053987 516903570 /nfs/dbraw/zinc/90/35/70/516903570.db2.gz TUMQXMIUMCTRDE-OCCSQVGLSA-N 1 0 365.430 2.557 20 5 FFBDRO CC1CC[NH+](Cc2ccc(NC(=O)c3ccnc(N)c3[N+](=O)[O-])cc2)CC1 ZINC000548387700 516951958 /nfs/dbraw/zinc/95/19/58/516951958.db2.gz KXJCQUWHCSQGKQ-UHFFFAOYSA-N 1 0 369.425 2.887 20 5 FFBDRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000532397936 516953370 /nfs/dbraw/zinc/95/33/70/516953370.db2.gz ZQZYBTJZZWXFEH-UHFFFAOYSA-N 1 0 368.437 2.974 20 5 FFBDRO Cc1cccc(NCc2ccc(C(=O)N3CCN(C)CC3)cc2)c1[N+](=O)[O-] ZINC000558887689 516988426 /nfs/dbraw/zinc/98/84/26/516988426.db2.gz BBCQWADHKBPKGT-UHFFFAOYSA-N 1 0 368.437 2.903 20 5 FFBDRO CC[C@@H](C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[N@H+](C)Cc1ccccc1 ZINC000555579139 516989841 /nfs/dbraw/zinc/98/98/41/516989841.db2.gz WLHJTNMJZCNKDG-KRWDZBQOSA-N 1 0 367.409 2.742 20 5 FFBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000525385637 517024755 /nfs/dbraw/zinc/02/47/55/517024755.db2.gz FCQCQYPGIBKAQG-HIFRSBDPSA-N 1 0 369.487 2.651 20 5 FFBDRO CN(C(=O)c1ccc(C[NH+]2CCSCC2)cc1)c1ccc([N+](=O)[O-])nc1 ZINC000514754571 517039070 /nfs/dbraw/zinc/03/90/70/517039070.db2.gz XPDHLLBISIUGLM-UHFFFAOYSA-N 1 0 372.450 2.815 20 5 FFBDRO C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1C(F)(F)F ZINC000537142853 517055140 /nfs/dbraw/zinc/05/51/40/517055140.db2.gz FRJGZJNIVLQBBK-JQWIXIFHSA-N 1 0 358.320 2.522 20 5 FFBDRO COc1cc2c(cc1OC)CC[NH+](Cc1cc([O-])ccc1[N+](=O)[O-])CC2 ZINC000559049413 517058130 /nfs/dbraw/zinc/05/81/30/517058130.db2.gz NLXKXDQKGKGRTC-UHFFFAOYSA-N 1 0 358.394 2.918 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000525544407 517072415 /nfs/dbraw/zinc/07/24/15/517072415.db2.gz BZUZIZVFVOFGNC-MBNYWOFBSA-N 1 0 369.849 2.957 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CC(n3ccnc3)C2)nc1OCc1ccccc1 ZINC000545196599 517097844 /nfs/dbraw/zinc/09/78/44/517097844.db2.gz LHGUGDBYOQTNFB-UHFFFAOYSA-N 1 0 351.366 2.827 20 5 FFBDRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)c3ccc([N+](=O)[O-])cn3)C2)s1 ZINC000552134517 517100247 /nfs/dbraw/zinc/10/02/47/517100247.db2.gz OCWBKDDUNIDBQQ-CQSZACIVSA-N 1 0 374.466 2.954 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2nc(C[NH2+][C@H](C3CC3)[C@@]3(CO)CCCO3)co2)cc1 ZINC000555759880 517108727 /nfs/dbraw/zinc/10/87/27/517108727.db2.gz VXKYZCDXYYBUOY-MJGOQNOKSA-N 1 0 373.409 2.660 20 5 FFBDRO C[C@H](CNc1ncnc2cccc([N+](=O)[O-])c21)[N@@H+]1CCc2ccccc2C1 ZINC000541577661 517120984 /nfs/dbraw/zinc/12/09/84/517120984.db2.gz FFOJMGUPJLXQGY-CQSZACIVSA-N 1 0 363.421 2.819 20 5 FFBDRO CCC[NH+]1CCC(N(C)S(=O)(=O)c2ccc(CC)c([N+](=O)[O-])c2)CC1 ZINC000515056380 517193901 /nfs/dbraw/zinc/19/39/01/517193901.db2.gz FVZXEHJNWWZDQV-UHFFFAOYSA-N 1 0 369.487 2.652 20 5 FFBDRO CC(C)C[N@@H+]1CCCC[C@H]1CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000545365087 517200601 /nfs/dbraw/zinc/20/06/01/517200601.db2.gz GNTPLBJQRRSANL-INIZCTEOSA-N 1 0 369.487 2.525 20 5 FFBDRO CN(CCC[N@H+](C)Cc1ccncc1)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000519844045 517217280 /nfs/dbraw/zinc/21/72/80/517217280.db2.gz OYIRHZZRHLQTSI-UHFFFAOYSA-N 1 0 360.389 2.723 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)c1 ZINC000541815557 517229682 /nfs/dbraw/zinc/22/96/82/517229682.db2.gz GUTWQAMXXLJXGF-CQSZACIVSA-N 1 0 369.487 2.562 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)c1 ZINC000541821586 517232544 /nfs/dbraw/zinc/23/25/44/517232544.db2.gz UHRIUMDNCMMCFE-AWEZNQCLSA-N 1 0 367.471 2.507 20 5 FFBDRO COc1ccccc1CCC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000541872419 517266134 /nfs/dbraw/zinc/26/61/34/517266134.db2.gz DPTQHNOYAHDXSF-UHFFFAOYSA-N 1 0 356.426 2.753 20 5 FFBDRO C[NH+]1CCC(C)(CNC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000520301214 517335948 /nfs/dbraw/zinc/33/59/48/517335948.db2.gz QESXOYKPQQMCKL-UHFFFAOYSA-N 1 0 373.457 2.650 20 5 FFBDRO CC(C)(C)[C@@H]1C[C@@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000515415602 517344544 /nfs/dbraw/zinc/34/45/44/517344544.db2.gz VAWUAWJWZGCWBA-BBRMVZONSA-N 1 0 370.471 2.552 20 5 FFBDRO CCC[C@H](C)[C@H](CC)[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000552898758 517434597 /nfs/dbraw/zinc/43/45/97/517434597.db2.gz CMBFJFDUHZQHPM-BBRMVZONSA-N 1 0 357.476 2.678 20 5 FFBDRO CN1CCN([C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)c2cccs2)CC1 ZINC000559888803 517472692 /nfs/dbraw/zinc/47/26/92/517472692.db2.gz WAYWOQOQZXHDRI-QGZVFWFLSA-N 1 0 360.483 2.735 20 5 FFBDRO Cc1c(Br)cc(C(=O)NC[C@H](C)[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000533578475 517536858 /nfs/dbraw/zinc/53/68/58/517536858.db2.gz ABCCQYHFTQEXBL-JTQLQIEISA-N 1 0 370.247 2.880 20 5 FFBDRO CCc1ccccc1[C@H]([NH3+])CNC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000562965425 517539503 /nfs/dbraw/zinc/53/95/03/517539503.db2.gz VNXYIQYPORZVCL-MRXNPFEDSA-N 1 0 357.410 2.525 20 5 FFBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000542404961 517543175 /nfs/dbraw/zinc/54/31/75/517543175.db2.gz CQCAWXXSPBUPSW-GXFFZTMASA-N 1 0 369.874 2.939 20 5 FFBDRO C[NH+](C)[C@H]1CCc2cc(NC[C@H](O)COc3cccc([N+](=O)[O-])c3)ccc21 ZINC000563009926 517581695 /nfs/dbraw/zinc/58/16/95/517581695.db2.gz NXEJUAITMCEZGD-PXNSSMCTSA-N 1 0 371.437 2.996 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1CN1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000542702826 517696078 /nfs/dbraw/zinc/69/60/78/517696078.db2.gz VTCQITVCNYKOJU-UHFFFAOYSA-N 1 0 360.502 2.894 20 5 FFBDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000546565839 517730540 /nfs/dbraw/zinc/73/05/40/517730540.db2.gz RPRWOVMYEGOMTM-CYBMUJFWSA-N 1 0 351.422 2.812 20 5 FFBDRO O=C(CNc1ccccc1[N+](=O)[O-])N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000521533067 517766375 /nfs/dbraw/zinc/76/63/75/517766375.db2.gz JLFFRFHPLOIHLG-SFHVURJKSA-N 1 0 368.437 2.960 20 5 FFBDRO CC(C)c1ccc2c(c1)[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CCC2 ZINC000516644613 517786487 /nfs/dbraw/zinc/78/64/87/517786487.db2.gz AUVZLEFYDUXXAW-MJGOQNOKSA-N 1 0 358.442 2.943 20 5 FFBDRO Cn1ccnc1[C@H](N[C@@H]1CCC[C@@H]([NH+](C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000560531847 517876692 /nfs/dbraw/zinc/87/66/92/517876692.db2.gz ZYPDRTHMLLVQKR-JFIYKMOQSA-N 1 0 357.458 2.880 20 5 FFBDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C1 ZINC000521860103 517877361 /nfs/dbraw/zinc/87/73/61/517877361.db2.gz UCRLKADZJXYCBY-ZWNOBZJWSA-N 1 0 371.387 2.817 20 5 FFBDRO COCC1(C)CC[NH+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000539098973 517910535 /nfs/dbraw/zinc/91/05/35/517910535.db2.gz LVOTWXYDEICUFW-UHFFFAOYSA-N 1 0 365.430 2.681 20 5 FFBDRO CCN(CC[NH+]1CCCCCC1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000553885695 517952713 /nfs/dbraw/zinc/95/27/13/517952713.db2.gz FIJOCGFKGHREDY-UHFFFAOYSA-N 1 0 369.487 2.790 20 5 FFBDRO CC(C)C[C@H](CN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000557393526 517988329 /nfs/dbraw/zinc/98/83/29/517988329.db2.gz SQFNXLGTFHMHHP-MSOLQXFVSA-N 1 0 359.474 2.984 20 5 FFBDRO CC[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C1CCOCC1 ZINC000539426357 518042798 /nfs/dbraw/zinc/04/27/98/518042798.db2.gz WSBCSNWWXOUBRL-OAHLLOKOSA-N 1 0 365.430 2.727 20 5 FFBDRO C[N@H+](CCCNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)C1CCCCC1 ZINC000557521203 518051473 /nfs/dbraw/zinc/05/14/73/518051473.db2.gz BJAGLOBLWPFCHW-UHFFFAOYSA-N 1 0 359.430 2.732 20 5 FFBDRO CCN(CC)C(=O)CCC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000563679635 518062953 /nfs/dbraw/zinc/06/29/53/518062953.db2.gz QELLIDLRPADICT-GJZGRUSLSA-N 1 0 351.451 2.513 20 5 FFBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCCCS1(=O)=O ZINC000543429525 518084800 /nfs/dbraw/zinc/08/48/00/518084800.db2.gz MJEWKVIAQYAGGK-USXIJHARSA-N 1 0 366.483 2.863 20 5 FFBDRO CC(C)n1cc([C@@H](C)[NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)cn1 ZINC000543503944 518120696 /nfs/dbraw/zinc/12/06/96/518120696.db2.gz SIHZFXDKBNEMEH-CYBMUJFWSA-N 1 0 357.414 2.612 20 5 FFBDRO C[C@H]1COCCN1CC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000539703274 518143369 /nfs/dbraw/zinc/14/33/69/518143369.db2.gz XNEIWHCLRJIODP-ZDUSSCGKSA-N 1 0 362.455 2.529 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCCC[C@@H]2C2CC2)cc1 ZINC000543598026 518149352 /nfs/dbraw/zinc/14/93/52/518149352.db2.gz OYVAZHDCVGCEIH-IAGOWNOFSA-N 1 0 352.456 2.927 20 5 FFBDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000531135996 518150186 /nfs/dbraw/zinc/15/01/86/518150186.db2.gz BVSJRGARQWJAKQ-UHFFFAOYSA-N 1 0 371.393 2.988 20 5 FFBDRO C[NH+](C)CCOCCNC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000539747922 518153146 /nfs/dbraw/zinc/15/31/46/518153146.db2.gz VWTNNHONGDINSB-UHFFFAOYSA-N 1 0 372.425 2.646 20 5 FFBDRO C[C@]1(NC(=O)Cc2cccc([N+](=O)[O-])c2)CC[N@H+](Cc2ccccc2)C1 ZINC000569725656 518260049 /nfs/dbraw/zinc/26/00/49/518260049.db2.gz CYYQUGNPKKSNIS-FQEVSTJZSA-N 1 0 353.422 2.918 20 5 FFBDRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000584345620 518292775 /nfs/dbraw/zinc/29/27/75/518292775.db2.gz HKWXMADDSZHPBN-BXKDBHETSA-N 1 0 356.220 2.605 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](O)COc1c(C)cccc1C ZINC000569837371 518318778 /nfs/dbraw/zinc/31/87/78/518318778.db2.gz PGCVZNPYBOYVTE-KRWDZBQOSA-N 1 0 360.410 2.750 20 5 FFBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]C3CCN(CC(F)F)CC3)c2c1 ZINC000564148952 518324589 /nfs/dbraw/zinc/32/45/89/518324589.db2.gz QGOAAELDTMZSNA-UHFFFAOYSA-N 1 0 352.385 2.938 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000570032330 518408950 /nfs/dbraw/zinc/40/89/50/518408950.db2.gz ZLAAOJDEJHZJBG-QGZVFWFLSA-N 1 0 355.394 2.722 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CC2(Cc3ccccc3)CC2)c1 ZINC000570081951 518433063 /nfs/dbraw/zinc/43/30/63/518433063.db2.gz PGFXDRHLEJFKEF-SFHVURJKSA-N 1 0 356.422 2.947 20 5 FFBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000584774979 518471198 /nfs/dbraw/zinc/47/11/98/518471198.db2.gz XVUCVPTWSJUJMC-AEFFLSMTSA-N 1 0 370.453 2.746 20 5 FFBDRO CN1CCO[C@@H]2CC[N@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C[C@@H]21 ZINC000585767608 518590734 /nfs/dbraw/zinc/59/07/34/518590734.db2.gz LSACHTBDMXOVIG-PKOBYXMFSA-N 1 0 357.410 2.760 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)[C@H]1C[NH+]2CCC1CC2 ZINC000579270998 518600596 /nfs/dbraw/zinc/60/05/96/518600596.db2.gz CCGYMBSYKGNQJN-ABAIWWIYSA-N 1 0 367.833 2.568 20 5 FFBDRO CC(C)(CCC[NH3+])NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000567670193 518642759 /nfs/dbraw/zinc/64/27/59/518642759.db2.gz VNRZDDFIUNDMEE-UHFFFAOYSA-N 1 0 363.336 2.783 20 5 FFBDRO CCO[C@@H]1C[C@H]([NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C12CCCC2 ZINC000582234053 518652293 /nfs/dbraw/zinc/65/22/93/518652293.db2.gz QIGJZMHGAXUEBJ-DLBZAZTESA-N 1 0 361.442 2.885 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CCc2ccc(F)c(F)c2F)c1 ZINC000564873988 518669097 /nfs/dbraw/zinc/66/90/97/518669097.db2.gz WSBNKEUMCOZUDZ-ZDUSSCGKSA-N 1 0 370.327 2.584 20 5 FFBDRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000564948356 518710083 /nfs/dbraw/zinc/71/00/83/518710083.db2.gz FFTFXRVEQVWOBI-MGPLVRAMSA-N 1 0 371.387 2.687 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]Cc1nc2ccccc2s1 ZINC000579519899 518719851 /nfs/dbraw/zinc/71/98/51/518719851.db2.gz VMYKGCGPBOYMEV-LBPRGKRZSA-N 1 0 359.407 2.734 20 5 FFBDRO COc1cc(CC[NH2+]C[C@H](O)[C@@H](C)c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000576704184 518723185 /nfs/dbraw/zinc/72/31/85/518723185.db2.gz RSRWTOMLFOHHLB-KSSFIOAISA-N 1 0 374.437 2.909 20 5 FFBDRO C[C@@H]1CN(c2ccc(C[NH2+][C@H]3CCc4c3cccc4[N+](=O)[O-])cn2)CCO1 ZINC000579610771 518765313 /nfs/dbraw/zinc/76/53/13/518765313.db2.gz CLICMPPTHNJVNX-KDOFPFPSSA-N 1 0 368.437 2.992 20 5 FFBDRO C[NH2+]CCC1CCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000567908172 518780455 /nfs/dbraw/zinc/78/04/55/518780455.db2.gz ZZROUQDEGCQHLM-UHFFFAOYSA-N 1 0 374.485 2.659 20 5 FFBDRO COc1cccc2c1CC[C@H]2[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000570837340 518804589 /nfs/dbraw/zinc/80/45/89/518804589.db2.gz QYYSOGDYRGYMMR-RDTXWAMCSA-N 1 0 358.394 2.620 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CC2(c3ccc(Cl)cc3)CCC2)c1 ZINC000579703174 518810613 /nfs/dbraw/zinc/81/06/13/518810613.db2.gz DAXPHHVSPHVPAT-MRXNPFEDSA-N 1 0 364.833 2.517 20 5 FFBDRO Cc1nc(N2CCN(c3cc[nH+]c4ccccc43)CC2)ncc1[N+](=O)[O-] ZINC000568019385 518834104 /nfs/dbraw/zinc/83/41/04/518834104.db2.gz WUFGFJAXOGUXGX-UHFFFAOYSA-N 1 0 350.382 2.568 20 5 FFBDRO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000588823331 518839017 /nfs/dbraw/zinc/83/90/17/518839017.db2.gz SXAGACYRAJXNNU-HNNXBMFYSA-N 1 0 367.833 2.575 20 5 FFBDRO CS(=O)(=O)Nc1cccc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000565216887 518847403 /nfs/dbraw/zinc/84/74/03/518847403.db2.gz GFZWXSJTBDAQGL-MRXNPFEDSA-N 1 0 361.423 2.743 20 5 FFBDRO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)CC2 ZINC000579794219 518853462 /nfs/dbraw/zinc/85/34/62/518853462.db2.gz SSYCILFHDQILNW-QLFBSQMISA-N 1 0 373.461 2.595 20 5 FFBDRO CCOc1ccc(C(=O)N2CCc3ccccc3[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000582667606 518866128 /nfs/dbraw/zinc/86/61/28/518866128.db2.gz UGXOHOTUGBRASH-QGZVFWFLSA-N 1 0 355.394 2.692 20 5 FFBDRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3c(Cl)cccc3[N+](=O)[O-])[C@@H]2C1 ZINC000588979416 518887643 /nfs/dbraw/zinc/88/76/43/518887643.db2.gz RSNAEOZNOMPZQB-JGGQBBKZSA-N 1 0 351.834 2.985 20 5 FFBDRO C[NH+](C)CCc1ccc(C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)cc1 ZINC000577122260 518924634 /nfs/dbraw/zinc/92/46/34/518924634.db2.gz PVRPREYBZBQKLJ-UHFFFAOYSA-N 1 0 353.422 2.897 20 5 FFBDRO C[NH2+]CCCN(C)C(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000582904303 518978608 /nfs/dbraw/zinc/97/86/08/518978608.db2.gz LJCLCWJARYLXLT-AWEZNQCLSA-N 1 0 371.441 2.844 20 5 FFBDRO O=C(CN1CCC([C@@H]2CC[NH2+]C2)CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000580075540 518997040 /nfs/dbraw/zinc/99/70/40/518997040.db2.gz JOUMXQQKFLNSBP-CYBMUJFWSA-N 1 0 366.849 2.508 20 5 FFBDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000589536955 519026576 /nfs/dbraw/zinc/02/65/76/519026576.db2.gz MSNFDAPOXQLGRB-JTQLQIEISA-N 1 0 358.236 2.816 20 5 FFBDRO CCOC(=O)Cn1nc(C)c(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])c1C ZINC000568444784 519040916 /nfs/dbraw/zinc/04/09/16/519040916.db2.gz AFDMALVEYOLQFY-UHFFFAOYSA-N 1 0 374.441 2.646 20 5 FFBDRO Cc1cccc(C2(C[NH2+]C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CCCC2)c1 ZINC000580184611 519049567 /nfs/dbraw/zinc/04/95/67/519049567.db2.gz LCHGISKUPONJSW-SFHVURJKSA-N 1 0 358.442 2.562 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@](CO)(c3ccccc3)C2)c1 ZINC000589737652 519074217 /nfs/dbraw/zinc/07/42/17/519074217.db2.gz FUOPERCTVOCWLE-FQEVSTJZSA-N 1 0 370.405 2.517 20 5 FFBDRO C[NH+](C)CCN(Cc1cc([N+](=O)[O-])ccc1OC(F)F)C[C@@H]1CCCO1 ZINC000577442864 519079079 /nfs/dbraw/zinc/07/90/79/519079079.db2.gz FTCMYZYAECYFSI-HNNXBMFYSA-N 1 0 373.400 2.739 20 5 FFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000577446154 519080968 /nfs/dbraw/zinc/08/09/68/519080968.db2.gz GIJAIOMIQYFMHV-ZIAGYGMSSA-N 1 0 364.446 2.778 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2CC[C@](O)(C(F)(F)F)C2)n1 ZINC000589950213 519110853 /nfs/dbraw/zinc/11/08/53/519110853.db2.gz ZSEMTVBNXGEDGF-GFQSEFKGSA-N 1 0 362.352 2.711 20 5 FFBDRO COc1ccc(OCC[N@@H+]2C[C@@H](c3cnn(C)c3)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000583213072 519133918 /nfs/dbraw/zinc/13/39/18/519133918.db2.gz YOBYHGQBNQIHTQ-INIZCTEOSA-N 1 0 374.441 2.841 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@H](O)CCc2ccccc2)n1 ZINC000565815043 519144925 /nfs/dbraw/zinc/14/49/25/519144925.db2.gz IBCVXMYVAWKBCS-FGTMMUONSA-N 1 0 358.442 2.858 20 5 FFBDRO C[C@@H]1C[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC2(CCC2)O1 ZINC000583261119 519158721 /nfs/dbraw/zinc/15/87/21/519158721.db2.gz FVYWZQUWYSIZRY-CYBMUJFWSA-N 1 0 361.398 2.536 20 5 FFBDRO C[C@@H](CN1CCOCC1)[N@H+](C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000590177311 519168564 /nfs/dbraw/zinc/16/85/64/519168564.db2.gz SXSCQJQPGHIQPO-LBPRGKRZSA-N 1 0 361.364 2.766 20 5 FFBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+][C@H]2CCCC23CCCC3)c1 ZINC000590241850 519180752 /nfs/dbraw/zinc/18/07/52/519180752.db2.gz AJUSMAOJGWTKIT-INIZCTEOSA-N 1 0 367.471 2.576 20 5 FFBDRO Cc1cc(OCC(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000580466091 519190034 /nfs/dbraw/zinc/19/00/34/519190034.db2.gz KISDDIGRYMOYRC-CQSZACIVSA-N 1 0 361.442 2.615 20 5 FFBDRO CC[NH+]1C[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)[C@H](C)C1 ZINC000577677716 519197920 /nfs/dbraw/zinc/19/79/20/519197920.db2.gz UJESPWGHXTVFBK-GHMZBOCLSA-N 1 0 357.357 2.751 20 5 FFBDRO C[C@H]1C[C@@H](c2ccccc2)C[C@@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000580544670 519231739 /nfs/dbraw/zinc/23/17/39/519231739.db2.gz WNJRURYRIDSGNK-RUENVJTFSA-N 1 0 358.442 2.714 20 5 FFBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000565995813 519236409 /nfs/dbraw/zinc/23/64/09/519236409.db2.gz UNEHZQSEJXFOTD-INIZCTEOSA-N 1 0 373.457 2.743 20 5 FFBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000580608935 519262096 /nfs/dbraw/zinc/26/20/96/519262096.db2.gz WAVFVITXKQVYDS-OAHLLOKOSA-N 1 0 350.463 2.899 20 5 FFBDRO C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000590556006 519263924 /nfs/dbraw/zinc/26/39/24/519263924.db2.gz WILITNIINYTQKL-GFCCVEGCSA-N 1 0 367.833 2.574 20 5 FFBDRO COC(=O)c1ccnc(NC[C@H](c2cccs2)[NH+](C)C)c1[N+](=O)[O-] ZINC000590570266 519269743 /nfs/dbraw/zinc/26/97/43/519269743.db2.gz YAKCOJPUAKCVHV-LLVKDONJSA-N 1 0 350.400 2.553 20 5 FFBDRO COC(=O)c1ccnc(NC[C@H](c2ccc(C)cc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000590575867 519271346 /nfs/dbraw/zinc/27/13/46/519271346.db2.gz WPBWYZXKGDWDNK-OAHLLOKOSA-N 1 0 358.398 2.800 20 5 FFBDRO CNc1ccc(C(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000566067460 519277813 /nfs/dbraw/zinc/27/78/13/519277813.db2.gz GFODIYCZLWEZNZ-CVEARBPZSA-N 1 0 372.400 2.733 20 5 FFBDRO C[C@H](CCc1ccc(O)cc1)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000577859869 519295905 /nfs/dbraw/zinc/29/59/05/519295905.db2.gz KRSSNYYRDFCTDU-KDOFPFPSSA-N 1 0 360.410 2.651 20 5 FFBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3ccc(Br)cc3[N+](=O)[O-])C[C@H]21 ZINC000566099762 519299304 /nfs/dbraw/zinc/29/93/04/519299304.db2.gz VFRQQIUELPVBCD-OASPWFOLSA-N 1 0 368.231 2.557 20 5 FFBDRO O=[N+]([O-])c1cccc2c1ccnc2N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000590685687 519316492 /nfs/dbraw/zinc/31/64/92/519316492.db2.gz SHDKAVBCHAQYFO-HNNXBMFYSA-N 1 0 356.426 2.834 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2csc(N3CC[NH+]([C@H]4CCC[C@@H]4O)CC3)n2)cc1 ZINC000590688583 519317611 /nfs/dbraw/zinc/31/76/11/519317611.db2.gz QRBUSXCUINUTLA-IRXDYDNUSA-N 1 0 374.466 2.754 20 5 FFBDRO CC(C)(C[C@H]1CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1)C(N)=O ZINC000590747518 519346013 /nfs/dbraw/zinc/34/60/13/519346013.db2.gz COEHBKHLAAMURM-OAHLLOKOSA-N 1 0 363.458 2.977 20 5 FFBDRO COc1ccc(CC(=O)N(CCC[NH3+])Cc2ccccc2)cc1[N+](=O)[O-] ZINC000566205869 519369196 /nfs/dbraw/zinc/36/91/96/519369196.db2.gz GJIPDMOTASTKJP-UHFFFAOYSA-N 1 0 357.410 2.524 20 5 FFBDRO CCc1cccc(OC[C@@H](O)C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC)c1 ZINC000580887847 519409567 /nfs/dbraw/zinc/40/95/67/519409567.db2.gz RIKJUXJRMYTCJR-KRWDZBQOSA-N 1 0 360.410 2.695 20 5 FFBDRO CC[N@H+](C)Cc1cccc(CNc2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])c1 ZINC000580906225 519420053 /nfs/dbraw/zinc/42/00/53/519420053.db2.gz LIBVTVBRUZLSHF-UHFFFAOYSA-N 1 0 372.425 2.571 20 5 FFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000583782302 519428821 /nfs/dbraw/zinc/42/88/21/519428821.db2.gz FFUUNBLICGRCBM-MRXNPFEDSA-N 1 0 364.446 2.636 20 5 FFBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@H](c2cncc(Br)c2)C2CC2)c1 ZINC000581027320 519485452 /nfs/dbraw/zinc/48/54/52/519485452.db2.gz SWYPASCERCQOII-AWEZNQCLSA-N 1 0 366.219 2.690 20 5 FFBDRO C[NH+]1CCC(N2CC[C@@H](Nc3ncc([N+](=O)[O-])cc3C(F)(F)F)C2)CC1 ZINC000591147579 519530143 /nfs/dbraw/zinc/53/01/43/519530143.db2.gz OJFYLLLZESRSFA-LLVKDONJSA-N 1 0 373.379 2.589 20 5 FFBDRO CC[NH+](CC)CCOC1CCN(c2c(OC)cccc2[N+](=O)[O-])CC1 ZINC000581142603 519543915 /nfs/dbraw/zinc/54/39/15/519543915.db2.gz OMCXHNGZOKHIMI-UHFFFAOYSA-N 1 0 351.447 2.931 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH2+]C[C@@H]2c2ccccc2)c1 ZINC000578349929 519548053 /nfs/dbraw/zinc/54/80/53/519548053.db2.gz WDVFFWDYFVKBKU-GOSISDBHSA-N 1 0 355.394 2.780 20 5 FFBDRO O=C(CC[NH2+]CCN1CCc2sccc2C1)Nc1ccccc1[N+](=O)[O-] ZINC000569437139 519548636 /nfs/dbraw/zinc/54/86/36/519548636.db2.gz HUTNZNXHCNINOX-UHFFFAOYSA-N 1 0 374.466 2.633 20 5 FFBDRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)CCn3ccc([N+](=O)[O-])n3)C2)s1 ZINC000569490201 519578434 /nfs/dbraw/zinc/57/84/34/519578434.db2.gz UIIYWASJIRUUDG-HNNXBMFYSA-N 1 0 363.487 2.615 20 5 FFBDRO O=C(Nc1cnc2c(c1)C[NH2+]CC2)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000591310699 519586003 /nfs/dbraw/zinc/58/60/03/519586003.db2.gz CJWKERXGTYETNX-UHFFFAOYSA-N 1 0 367.409 2.832 20 5 FFBDRO C[C@@H]1CC[N@H+](CCNC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])C1 ZINC000575319372 519586702 /nfs/dbraw/zinc/58/67/02/519586702.db2.gz FAHPZVCIWBCMPS-CQSZACIVSA-N 1 0 354.410 2.728 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CC1CCS(=O)(=O)CC1)CCCC2 ZINC000591348241 519603389 /nfs/dbraw/zinc/60/33/89/519603389.db2.gz GPRCXASQFXJHQV-QGZVFWFLSA-N 1 0 352.456 2.777 20 5 FFBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000591356114 519607752 /nfs/dbraw/zinc/60/77/52/519607752.db2.gz NULWUQBYEFSACG-SJORKVTESA-N 1 0 360.458 2.559 20 5 FFBDRO O=[N+]([O-])c1cncc(Br)c1N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000591444712 519626766 /nfs/dbraw/zinc/62/67/66/519626766.db2.gz IPVYXVDEUVLGON-WDEREUQCSA-N 1 0 355.236 2.578 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000591451120 519627373 /nfs/dbraw/zinc/62/73/73/519627373.db2.gz OXDGZPRQUATPAJ-HZPDHXFCSA-N 1 0 367.471 2.507 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](c3cccnc3)C2)c1 ZINC000602855817 519929176 /nfs/dbraw/zinc/92/91/76/519929176.db2.gz PQYMUTUFHUMHHG-AEFFLSMTSA-N 1 0 357.410 2.609 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](CO)c1cccc(Cl)c1Cl ZINC000602904352 519962323 /nfs/dbraw/zinc/96/23/23/519962323.db2.gz WQRHCPLCZYLVPV-GFCCVEGCSA-N 1 0 359.213 2.730 20 5 FFBDRO O=[N+]([O-])c1ccccc1OCC[NH2+][C@H](c1ccncc1)C1(CO)CCC1 ZINC000602903928 519963406 /nfs/dbraw/zinc/96/34/06/519963406.db2.gz SVRJODJNHGBJMH-GOSISDBHSA-N 1 0 357.410 2.862 20 5 FFBDRO CSC1CC[NH+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC1 ZINC000602921878 519973201 /nfs/dbraw/zinc/97/32/01/519973201.db2.gz BBLUPRAUCFSNOH-UHFFFAOYSA-N 1 0 351.428 2.720 20 5 FFBDRO CC1([NH+]2CCCC2)CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000602949168 519989566 /nfs/dbraw/zinc/98/95/66/519989566.db2.gz FMKOKAXEHMHFAJ-UHFFFAOYSA-N 1 0 360.458 2.874 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC(C)([NH+]2CCCC2)CC1 ZINC000602953265 519990478 /nfs/dbraw/zinc/99/04/78/519990478.db2.gz ZOPDLVASPVYZTC-UHFFFAOYSA-N 1 0 360.458 2.792 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1C ZINC000594483931 519992986 /nfs/dbraw/zinc/99/29/86/519992986.db2.gz LFRNTHYRIAXOME-HUUCEWRRSA-N 1 0 367.471 2.507 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])cc1SC ZINC000591676381 519994161 /nfs/dbraw/zinc/99/41/61/519994161.db2.gz OFWUBWQXGZIUSQ-MFKMUULPSA-N 1 0 353.444 2.525 20 5 FFBDRO CC1(C)C[NH2+]CCN1C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000591678572 519994571 /nfs/dbraw/zinc/99/45/71/519994571.db2.gz YPIRBGQBHLFLHU-UHFFFAOYSA-N 1 0 374.363 2.626 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594484873 519995298 /nfs/dbraw/zinc/99/52/98/519995298.db2.gz WLDZUALZSZYCNI-OLZOCXBDSA-N 1 0 373.862 2.543 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000591684119 519996813 /nfs/dbraw/zinc/99/68/13/519996813.db2.gz BZJYZHHYTOPKIZ-YYHMBLRTSA-N 1 0 355.822 2.518 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N[C@@H]3CC34CC[NH2+]CC4)cc2[N+](=O)[O-])C1 ZINC000591685973 519998482 /nfs/dbraw/zinc/99/84/82/519998482.db2.gz GAFAPOZELKWVIW-RDTXWAMCSA-N 1 0 372.469 2.703 20 5 FFBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000612528999 520005817 /nfs/dbraw/zinc/00/58/17/520005817.db2.gz YKFHWQRAIJKLBZ-MNOVXSKESA-N 1 0 357.332 2.970 20 5 FFBDRO C[C@H](C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)C(=O)OC(C)(C)C ZINC000594508358 520006673 /nfs/dbraw/zinc/00/66/73/520006673.db2.gz BKECCGUTZRFYEJ-MGPQQGTHSA-N 1 0 352.435 2.842 20 5 FFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCCN2CCCC[C@@H]12 ZINC000594517961 520011403 /nfs/dbraw/zinc/01/14/03/520011403.db2.gz FFJYSNMECBNILU-OLMNPRSZSA-N 1 0 360.458 2.918 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+]Cc2cccc(C)c2OC)cc1[N+](=O)[O-] ZINC000594519128 520012199 /nfs/dbraw/zinc/01/21/99/520012199.db2.gz DGEDKDNIAIJREG-UHFFFAOYSA-N 1 0 374.393 2.753 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]Cc2ccccc2N2CCCC2)c1 ZINC000591727890 520012583 /nfs/dbraw/zinc/01/25/83/520012583.db2.gz FHAATHHRLCUWHL-GOSISDBHSA-N 1 0 371.437 2.725 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]Cc2ccccc2N2CCCC2)c1 ZINC000591727891 520012787 /nfs/dbraw/zinc/01/27/87/520012787.db2.gz FHAATHHRLCUWHL-SFHVURJKSA-N 1 0 371.437 2.725 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CCc1c[nH]c2cc(F)ccc12 ZINC000591728751 520014148 /nfs/dbraw/zinc/01/41/48/520014148.db2.gz CBJQTGDGVDKOJL-HNNXBMFYSA-N 1 0 373.384 2.787 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H]2CCOc3ccc(F)cc32)c1 ZINC000591735569 520016153 /nfs/dbraw/zinc/01/61/53/520016153.db2.gz MEFVRUHVBXUEOF-PBHICJAKSA-N 1 0 362.357 2.587 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCc2ccc(-c3ccccc3)cc2)c1 ZINC000591756285 520025135 /nfs/dbraw/zinc/02/51/35/520025135.db2.gz VRNFRYWITRNVAU-HXUWFJFHSA-N 1 0 366.421 2.652 20 5 FFBDRO CCC[N@@H+]1CC[C@@H](NC(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000600110239 520054067 /nfs/dbraw/zinc/05/40/67/520054067.db2.gz ZERCQOQVXBSRKG-SNVBAGLBSA-N 1 0 356.220 2.571 20 5 FFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CC[NH2+]C2(CCCCC2)C1 ZINC000594628777 520061042 /nfs/dbraw/zinc/06/10/42/520061042.db2.gz JXWIETQJOVRTQR-UHFFFAOYSA-N 1 0 351.834 2.925 20 5 FFBDRO O=C(NCC12CCC[NH+]1CCC2)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000597587040 520121310 /nfs/dbraw/zinc/12/13/10/520121310.db2.gz NEESVCRLORDPIT-UHFFFAOYSA-N 1 0 357.332 2.972 20 5 FFBDRO O=C(NCC12CCC[NH+]1CCC2)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000597588155 520121404 /nfs/dbraw/zinc/12/14/04/520121404.db2.gz FPKORBYCGLIMRP-UHFFFAOYSA-N 1 0 357.332 2.972 20 5 FFBDRO C[N@@H+](Cc1ccccc1)C[C@@H](O)Cn1ccnc1-c1ccc([N+](=O)[O-])cc1 ZINC000608860479 520147305 /nfs/dbraw/zinc/14/73/05/520147305.db2.gz PNHMDNWEESLRBG-LJQANCHMSA-N 1 0 366.421 2.951 20 5 FFBDRO [NH3+][C@@H](Cc1cn(CCc2ccc([N+](=O)[O-])cc2)nn1)Cc1ccccc1 ZINC000603198598 520152816 /nfs/dbraw/zinc/15/28/16/520152816.db2.gz VNCHMGUQBVJYFR-QGZVFWFLSA-N 1 0 351.410 2.542 20 5 FFBDRO Cc1c(Br)cc(C(=O)N2CC[C@@H]([NH+](C)C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000597699644 520183881 /nfs/dbraw/zinc/18/38/81/520183881.db2.gz LHBBFKDVCQKLPY-GXFFZTMASA-N 1 0 370.247 2.830 20 5 FFBDRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)C2 ZINC000597711497 520191576 /nfs/dbraw/zinc/19/15/76/520191576.db2.gz TZBKDTPYZKXWBR-IBGZPJMESA-N 1 0 359.426 2.502 20 5 FFBDRO C[N@@H+]1CCCC[C@H](CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000600313845 520201544 /nfs/dbraw/zinc/20/15/44/520201544.db2.gz KOHVRHUSWXJNKC-LLVKDONJSA-N 1 0 370.247 2.819 20 5 FFBDRO Cc1cnn(CC[N@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)c1 ZINC000592130665 520204506 /nfs/dbraw/zinc/20/45/06/520204506.db2.gz HPQLSEUPYZPKGT-IYARVYRRSA-N 1 0 358.442 2.905 20 5 FFBDRO Cc1ccc(C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC2CC2)cn1 ZINC000592145725 520222760 /nfs/dbraw/zinc/22/27/60/520222760.db2.gz ZKGUGJCRMVRLIC-IBGZPJMESA-N 1 0 371.437 2.950 20 5 FFBDRO COc1cc([N+](=O)[O-])cn(Cc2ccc(C[NH+]3CCCCC3)cc2)c1=O ZINC000603359088 520231732 /nfs/dbraw/zinc/23/17/32/520231732.db2.gz NBNVYTUPNHUVSL-UHFFFAOYSA-N 1 0 357.410 2.799 20 5 FFBDRO COc1ccc(N2C[C@H]([NH2+]Cc3ccc(C)c([N+](=O)[O-])c3)CC2=O)cc1 ZINC000594965354 520232224 /nfs/dbraw/zinc/23/22/24/520232224.db2.gz FLFJDUKALQRPCG-OAHLLOKOSA-N 1 0 355.394 2.807 20 5 FFBDRO C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNCc2csc([N+](=O)[O-])c2)C1 ZINC000594994295 520248011 /nfs/dbraw/zinc/24/80/11/520248011.db2.gz JOWJMWOGSANMIJ-KRWDZBQOSA-N 1 0 360.483 2.562 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H](C(C)C)N1CCOCC1 ZINC000595003733 520253199 /nfs/dbraw/zinc/25/31/99/520253199.db2.gz KZFCVEGJXHZPNE-RHSMWYFYSA-N 1 0 351.447 2.611 20 5 FFBDRO COc1cccc(C(=O)NCC[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)c1 ZINC000595011208 520254027 /nfs/dbraw/zinc/25/40/27/520254027.db2.gz BSNFWHBUTRZOJB-CYBMUJFWSA-N 1 0 373.409 2.693 20 5 FFBDRO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)[C@@H]1n1cccn1 ZINC000595039612 520265265 /nfs/dbraw/zinc/26/52/65/520265265.db2.gz UHAUJKVHXNZJRD-HZCDGDGTSA-N 1 0 360.414 2.869 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000600473998 520281323 /nfs/dbraw/zinc/28/13/23/520281323.db2.gz VZLYACFLVRAPIV-MRXNPFEDSA-N 1 0 361.442 2.805 20 5 FFBDRO CS(=O)(=O)C1(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CCCCC1 ZINC000595079765 520283682 /nfs/dbraw/zinc/28/36/82/520283682.db2.gz YMTGGQGLHFEBKF-OAHLLOKOSA-N 1 0 352.456 2.919 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000597922679 520325206 /nfs/dbraw/zinc/32/52/06/520325206.db2.gz KPVMRDWWAAAJRN-JTQLQIEISA-N 1 0 357.357 2.799 20 5 FFBDRO COc1ccc(CC(=O)NCCCCC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000609507372 520337217 /nfs/dbraw/zinc/33/72/17/520337217.db2.gz NXHUWBUZGWASIL-UHFFFAOYSA-N 1 0 363.458 2.918 20 5 FFBDRO CC[NH+](CC)CCOc1ccccc1CNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000603667978 520338233 /nfs/dbraw/zinc/33/82/33/520338233.db2.gz CDTDOEUYMVRGTK-UHFFFAOYSA-N 1 0 374.441 2.584 20 5 FFBDRO O=C([C@H]1CCC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1)N1CCCC1 ZINC000609552835 520355450 /nfs/dbraw/zinc/35/54/50/520355450.db2.gz FBVCQJOEXQGRCI-INIZCTEOSA-N 1 0 361.442 2.698 20 5 FFBDRO Cc1nccc([C@@H]2CCC[N@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000603834242 520370610 /nfs/dbraw/zinc/37/06/10/520370610.db2.gz NAJMODOOHAIZQX-OAHLLOKOSA-N 1 0 369.425 2.901 20 5 FFBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000609599238 520373581 /nfs/dbraw/zinc/37/35/81/520373581.db2.gz GWTLCHPDKHVJCE-OAHLLOKOSA-N 1 0 364.446 2.537 20 5 FFBDRO Cc1cc(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)cc([N+](=O)[O-])c1 ZINC000595270934 520381551 /nfs/dbraw/zinc/38/15/51/520381551.db2.gz XTYHQLZOKGOHLP-QZTJIDSGSA-N 1 0 357.385 2.918 20 5 FFBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000592435845 520389486 /nfs/dbraw/zinc/38/94/86/520389486.db2.gz TZRXNRRHRIWEFV-WFASDCNBSA-N 1 0 350.419 2.850 20 5 FFBDRO CCN(C(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CC[N@H+](CC)C1 ZINC000598040546 520389608 /nfs/dbraw/zinc/38/96/08/520389608.db2.gz HTNPBLQEPSNTMB-OCCSQVGLSA-N 1 0 369.849 2.958 20 5 FFBDRO O=C(NCC1CC[NH+](Cc2ccncc2)CC1)c1ccc([N+](=O)[O-])s1 ZINC000598061730 520404701 /nfs/dbraw/zinc/40/47/01/520404701.db2.gz GTVYBBFFNCSZDD-UHFFFAOYSA-N 1 0 360.439 2.693 20 5 FFBDRO O=C(NCC1CC[NH+](Cc2ccncc2)CC1)c1csc([N+](=O)[O-])c1 ZINC000598062652 520404868 /nfs/dbraw/zinc/40/48/68/520404868.db2.gz SFAGUWJGDZBPGE-UHFFFAOYSA-N 1 0 360.439 2.693 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000603982295 520422554 /nfs/dbraw/zinc/42/25/54/520422554.db2.gz DPDOQVNAFRKDST-ZIAGYGMSSA-N 1 0 369.487 2.550 20 5 FFBDRO C[C@H](c1ccccc1)[C@H](CO)[NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000613389175 520478750 /nfs/dbraw/zinc/47/87/50/520478750.db2.gz KDLCXKDYFPSDIQ-KEYYUXOJSA-N 1 0 357.410 2.676 20 5 FFBDRO C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000598195759 520487087 /nfs/dbraw/zinc/48/70/87/520487087.db2.gz RLBZEKNEKOCHIA-HXUWFJFHSA-N 1 0 367.449 2.913 20 5 FFBDRO CCN(C(=O)Cn1c2ccccc2c(=O)c2ccccc21)[C@H]1CC[N@H+](C)C1 ZINC000617559004 520582816 /nfs/dbraw/zinc/58/28/16/520582816.db2.gz QAKMFWKFWNPCLE-INIZCTEOSA-N 1 0 363.461 2.707 20 5 FFBDRO C[C@@H](CC[NH+]1CCN(C)CC1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000613704716 520628037 /nfs/dbraw/zinc/62/80/37/520628037.db2.gz MONWOAUGUNFUPG-LBPRGKRZSA-N 1 0 371.279 2.795 20 5 FFBDRO Cc1c(CC(=O)NC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000592879819 520629905 /nfs/dbraw/zinc/62/99/05/520629905.db2.gz DWINMOPUXFVURU-MOPGFXCFSA-N 1 0 367.449 2.907 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)c1 ZINC000592881898 520630734 /nfs/dbraw/zinc/63/07/34/520630734.db2.gz OQGYKBWHHAUWQG-QAPCUYQASA-N 1 0 369.421 2.679 20 5 FFBDRO CC(C)n1c(Sc2ncc(F)cc2[N+](=O)[O-])nnc1[C@@H]1CCC[NH2+]C1 ZINC000601118046 520645874 /nfs/dbraw/zinc/64/58/74/520645874.db2.gz DZYUGSSYKNXKJD-SNVBAGLBSA-N 1 0 366.422 2.920 20 5 FFBDRO COc1ccc(C[NH2+]Cc2ccnc(N3CCSCC3)c2)cc1[N+](=O)[O-] ZINC000601151540 520661559 /nfs/dbraw/zinc/66/15/59/520661559.db2.gz CCOMMGWMFBYTNM-UHFFFAOYSA-N 1 0 374.466 2.841 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@H](C(C)C)C2(CO)CC=CC2)c1 ZINC000593035519 520696836 /nfs/dbraw/zinc/69/68/36/520696836.db2.gz QFPAMFRGMJHRPD-QGZVFWFLSA-N 1 0 362.426 2.824 20 5 FFBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCC[C@H](CCF)C1 ZINC000595757125 520702709 /nfs/dbraw/zinc/70/27/09/520702709.db2.gz ZPDMVDYFBLCEJE-CYBMUJFWSA-N 1 0 351.378 2.964 20 5 FFBDRO Cn1cc(C[C@H]2CCC[C@@H]2[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cn1 ZINC000595767247 520710167 /nfs/dbraw/zinc/71/01/67/520710167.db2.gz AVVDPCNJAXHVPA-HIFRSBDPSA-N 1 0 354.414 2.706 20 5 FFBDRO CC[C@H]1COC(C)(C)C[N@@H+]1CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000593056275 520713618 /nfs/dbraw/zinc/71/36/18/520713618.db2.gz DQHFURNIMLMQNV-ZDUSSCGKSA-N 1 0 365.430 2.821 20 5 FFBDRO COc1cc(C[NH2+][C@H]2CCC[C@@H]2Cc2cnn(C)c2)c([N+](=O)[O-])cc1F ZINC000595774017 520714745 /nfs/dbraw/zinc/71/47/45/520714745.db2.gz ZDLLPEUQIHXBON-CJNGLKHVSA-N 1 0 362.405 2.977 20 5 FFBDRO O=[N+]([O-])c1ccc(OCCC[NH+]2CCC(O[C@H]3CCOC3)CC2)cc1 ZINC000610504686 520718084 /nfs/dbraw/zinc/71/80/84/520718084.db2.gz ZOCBVEMKTCSSAF-SFHVURJKSA-N 1 0 350.415 2.634 20 5 FFBDRO COC(=O)c1ccnc(NC2CC[NH+](CC3CCCC3)CC2)c1[N+](=O)[O-] ZINC000598594116 520732853 /nfs/dbraw/zinc/73/28/53/520732853.db2.gz XWYOAWKUGQTOQX-UHFFFAOYSA-N 1 0 362.430 2.843 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)C[C@H]1C ZINC000598605301 520737969 /nfs/dbraw/zinc/73/79/69/520737969.db2.gz BDQYJAZNMZSWNV-HIFRSBDPSA-N 1 0 369.487 2.705 20 5 FFBDRO O=[N+]([O-])c1ccc(OCCC[NH2+][C@H](CO)c2ccc(F)cc2F)cc1 ZINC000595868808 520779163 /nfs/dbraw/zinc/77/91/63/520779163.db2.gz ZVKZJXREGYLARQ-QGZVFWFLSA-N 1 0 352.337 2.965 20 5 FFBDRO Cc1c(NC(=O)[C@@H](C)N2CCC([C@@H]3CCC[NH2+]C3)CC2)cccc1[N+](=O)[O-] ZINC000595900938 520808255 /nfs/dbraw/zinc/80/82/55/520808255.db2.gz PKUQIIQWVLHSOX-NVXWUHKLSA-N 1 0 374.485 2.942 20 5 FFBDRO C[C@@H]1[C@@H](C)[N@@H+](C)C[C@H](C)N1C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000593188304 520810593 /nfs/dbraw/zinc/81/05/93/520810593.db2.gz BXNMYMAESILWCW-HBNTYKKESA-N 1 0 370.247 2.910 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC3CC2(c2ccccc2)C3)c1 ZINC000595909784 520814764 /nfs/dbraw/zinc/81/47/64/520814764.db2.gz DITIRONEOAJOCU-RVSXGSNBSA-N 1 0 354.406 2.956 20 5 FFBDRO CCC1([NH+](C)C)CCN(S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)CC1 ZINC000601503715 520816558 /nfs/dbraw/zinc/81/65/58/520816558.db2.gz NATDDMAQABGOSE-UHFFFAOYSA-N 1 0 369.487 2.707 20 5 FFBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N[C@@]3(C)CC[NH2+]C3)cc2[N+](=O)[O-])C1 ZINC000595993636 520847359 /nfs/dbraw/zinc/84/73/59/520847359.db2.gz ZDSAPRWWYMAHDX-LPMFXHHGSA-N 1 0 360.458 2.559 20 5 FFBDRO C[C@]1(NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)CC[NH2+]C1 ZINC000595991440 520847616 /nfs/dbraw/zinc/84/76/16/520847616.db2.gz JLSQTONXBAQODR-IBGZPJMESA-N 1 0 354.410 2.689 20 5 FFBDRO COC(=O)c1c(Cl)c(N2CCN(CC(C)C)CC2)ccc1[N+](=O)[O-] ZINC000596053077 520880414 /nfs/dbraw/zinc/88/04/14/520880414.db2.gz LMHYRHVOGYFTCD-UHFFFAOYSA-N 1 0 355.822 2.813 20 5 FFBDRO CO[C@@H](C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000596065156 520890551 /nfs/dbraw/zinc/89/05/51/520890551.db2.gz DQXAKZYJBFPZRI-KRWDZBQOSA-N 1 0 370.471 2.553 20 5 FFBDRO CC[NH+]1CCN(CCNc2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)CC1 ZINC000596074574 520894770 /nfs/dbraw/zinc/89/47/70/520894770.db2.gz VODFWVHXQHSORV-UHFFFAOYSA-N 1 0 350.463 2.822 20 5 FFBDRO C[C@@H]1C[NH+](Cc2ccc(CNc3cc[nH]c(=O)c3[N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000596077747 520897991 /nfs/dbraw/zinc/89/79/91/520897991.db2.gz ATZYRZKUIJRMLI-ZIAGYGMSSA-N 1 0 372.425 2.917 20 5 FFBDRO Nc1ccc(N2CCC[N@H+](CCCc3ccccc3)CC2)nc1[N+](=O)[O-] ZINC000596110509 520918031 /nfs/dbraw/zinc/91/80/31/520918031.db2.gz RJFLYZYHVVUBSX-UHFFFAOYSA-N 1 0 355.442 2.717 20 5 FFBDRO Cc1c(Br)c(N2CCc3[nH+]ccc(N)c3C2)ncc1[N+](=O)[O-] ZINC000598942632 520932107 /nfs/dbraw/zinc/93/21/07/520932107.db2.gz NJCKGVBZZVITAY-UHFFFAOYSA-N 1 0 364.203 2.601 20 5 FFBDRO C[C@H]1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC[N@@H+]1Cc1ccccc1 ZINC000596144619 520936535 /nfs/dbraw/zinc/93/65/35/520936535.db2.gz MEJPZYZSYBAUTH-HNNXBMFYSA-N 1 0 368.437 2.795 20 5 FFBDRO C[NH+](C)C1CCN(CCNc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000596150037 520939676 /nfs/dbraw/zinc/93/96/76/520939676.db2.gz DBWCIPABVIOWSU-UHFFFAOYSA-N 1 0 371.279 2.795 20 5 FFBDRO CSc1cccc(C(=O)N2CCN(c3cc[nH+]cc3)CC2)c1[N+](=O)[O-] ZINC000614443658 520968418 /nfs/dbraw/zinc/96/84/18/520968418.db2.gz VLMXGYFYZWTHOC-UHFFFAOYSA-N 1 0 358.423 2.674 20 5 FFBDRO C[NH+](C)[C@H](CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-])c1ccsc1 ZINC000593403932 520969006 /nfs/dbraw/zinc/96/90/06/520969006.db2.gz SHYVDGUVAUIIQV-OAHLLOKOSA-N 1 0 351.403 2.757 20 5 FFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596218884 520976918 /nfs/dbraw/zinc/97/69/18/520976918.db2.gz NGNUZEYLAQDVMC-CXAGYDPISA-N 1 0 354.410 2.626 20 5 FFBDRO CN1CCC([N@@H+]2CC[C@@H](Nc3ccc4cnccc4c3[N+](=O)[O-])C2)CC1 ZINC000599045004 520998016 /nfs/dbraw/zinc/99/80/16/520998016.db2.gz XHJWJJDOWPWYQD-OAHLLOKOSA-N 1 0 355.442 2.723 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC(CO)([NH2+]CC3CC3)CC2)cc1OC(F)F ZINC000596264848 521000765 /nfs/dbraw/zinc/00/07/65/521000765.db2.gz KWNONBMUTGKFQE-UHFFFAOYSA-N 1 0 371.384 2.527 20 5 FFBDRO CN(CC(C)(C)C[NH+]1CCOCC1)c1ccnc2cc([N+](=O)[O-])ccc21 ZINC000593465529 521011214 /nfs/dbraw/zinc/01/12/14/521011214.db2.gz ODEBUPPBCPYVSR-UHFFFAOYSA-N 1 0 358.442 2.938 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CC2([C@H]3CCCCO3)CCC2)c1 ZINC000601969375 521046313 /nfs/dbraw/zinc/04/63/13/521046313.db2.gz QMGBRIRSFPHWDN-FUHWJXTLSA-N 1 0 364.442 2.664 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CC1([C@H]2CCCCO2)CCC1 ZINC000601970341 521048057 /nfs/dbraw/zinc/04/80/57/521048057.db2.gz WGYSAKUIWZWDLD-CRAIPNDOSA-N 1 0 364.442 2.664 20 5 FFBDRO Cc1cc(N2CCC[C@H]3C[NH2+]CC[C@@H]32)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000601982649 521056506 /nfs/dbraw/zinc/05/65/06/521056506.db2.gz KKUDHJDXJXRKCQ-RDJZCZTQSA-N 1 0 353.426 2.939 20 5 FFBDRO C[NH+](C)C[C@H](Nc1ncc([N+](=O)[O-])c(N)n1)c1ccc(Cl)c(Cl)c1 ZINC000599172056 521069858 /nfs/dbraw/zinc/06/98/58/521069858.db2.gz JMTXJTACHZDLCL-NSHDSACASA-N 1 0 371.228 2.819 20 5 FFBDRO CN(CCC(=O)OC(C)(C)C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611274244 521073909 /nfs/dbraw/zinc/07/39/09/521073909.db2.gz FUDKAENLLDUEMC-UHFFFAOYSA-N 1 0 352.387 2.530 20 5 FFBDRO CN(CC1C[NH+](C)C1)c1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] ZINC000596453847 521078988 /nfs/dbraw/zinc/07/89/88/521078988.db2.gz OPFULMDGRVNKQO-UHFFFAOYSA-N 1 0 354.279 2.642 20 5 FFBDRO Cc1cc(NCC(C)(C)[C@@]2(O)CCCOC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000596535826 521122575 /nfs/dbraw/zinc/12/25/75/521122575.db2.gz SRVWWFOHXZOQEW-LJQANCHMSA-N 1 0 359.426 2.853 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C2CCN(CC(F)F)CC2)n1 ZINC000618570580 521129441 /nfs/dbraw/zinc/12/94/41/521129441.db2.gz YVSZBSASVVHCFL-UONOGXRCSA-N 1 0 357.405 2.594 20 5 FFBDRO C[NH+](C)CCC[C@H]1CN(c2ccc(Br)cc2[N+](=O)[O-])CCO1 ZINC000596566282 521135424 /nfs/dbraw/zinc/13/54/24/521135424.db2.gz IFDFQSSTSBYREB-ZDUSSCGKSA-N 1 0 372.263 2.904 20 5 FFBDRO CCC[C@H]([NH2+][C@H]1C[C@H](C)N(c2cnn(C)c2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000611475344 521175706 /nfs/dbraw/zinc/17/57/06/521175706.db2.gz UCBZIZHFPXWLJQ-KKXDTOCCSA-N 1 0 371.441 2.953 20 5 FFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CC(=O)N(CC)C1 ZINC000593722742 521176070 /nfs/dbraw/zinc/17/60/70/521176070.db2.gz LLDQLMDQUIIIKM-KGLIPLIRSA-N 1 0 351.472 2.924 20 5 FFBDRO C[C@@H]1CCCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@H]1CC[NH3+] ZINC000593735004 521182688 /nfs/dbraw/zinc/18/26/88/521182688.db2.gz TWMRNAURFYPEDF-ABAIWWIYSA-N 1 0 354.838 2.636 20 5 FFBDRO O=C(NCCC1CC[NH2+]CC1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000593762454 521200345 /nfs/dbraw/zinc/20/03/45/521200345.db2.gz UDAUVOUVDAMNAE-UHFFFAOYSA-N 1 0 358.345 2.707 20 5 FFBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC000602291268 521262681 /nfs/dbraw/zinc/26/26/81/521262681.db2.gz KMMMPWIRIWFLBW-MAUKXSAKSA-N 1 0 357.454 2.959 20 5 FFBDRO [NH3+]CCC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000593917093 521290071 /nfs/dbraw/zinc/29/00/71/521290071.db2.gz XYPJRBMACQXFKG-UHFFFAOYSA-N 1 0 356.220 2.558 20 5 FFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000602343834 521289998 /nfs/dbraw/zinc/28/99/98/521289998.db2.gz LUZZIQYMEUCPJV-UHFFFAOYSA-N 1 0 358.398 2.745 20 5 FFBDRO O=[N+]([O-])c1ccc2ncnc(NC3CC[NH+]([C@@H]4CCCC[C@@H]4O)CC3)c2c1 ZINC000611712056 521293361 /nfs/dbraw/zinc/29/33/61/521293361.db2.gz UZNPUSDZKMDSJM-MSOLQXFVSA-N 1 0 371.441 2.718 20 5 FFBDRO C[C@@H](NC(=O)Nc1ccc2c(c1)OCC[NH2+]C2)c1cccc([N+](=O)[O-])c1 ZINC000599619151 521336874 /nfs/dbraw/zinc/33/68/74/521336874.db2.gz SLMZRHRPRVDBAO-GFCCVEGCSA-N 1 0 356.382 2.960 20 5 FFBDRO CC(=O)NCC1CC[NH+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602450108 521353599 /nfs/dbraw/zinc/35/35/99/521353599.db2.gz TWJSZZJLCMXCHP-UHFFFAOYSA-N 1 0 359.348 2.962 20 5 FFBDRO CCC(C)(C)[NH+]1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000594020327 521353656 /nfs/dbraw/zinc/35/36/56/521353656.db2.gz HVIQQSRNMOUQKR-UHFFFAOYSA-N 1 0 359.430 2.951 20 5 FFBDRO CC(C)OC(=O)C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)C(C)C ZINC000594039807 521367346 /nfs/dbraw/zinc/36/73/46/521367346.db2.gz IVAHIHUKTWONAR-MRXNPFEDSA-N 1 0 366.414 2.917 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H](CC(=O)OC(C)C)C(C)C ZINC000594042511 521368333 /nfs/dbraw/zinc/36/83/33/521368333.db2.gz UEURMCFZTNRZKS-OAHLLOKOSA-N 1 0 365.430 2.798 20 5 FFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000596913194 521375601 /nfs/dbraw/zinc/37/56/01/521375601.db2.gz SRAXKQIOQNPDHR-INIZCTEOSA-N 1 0 362.430 2.532 20 5 FFBDRO O=C(N1CCC[C@H]([C@H]2CC[NH2+]C2)C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000602495542 521378579 /nfs/dbraw/zinc/37/85/79/521378579.db2.gz DTAMNLRWUUKDQC-HOTGVXAUSA-N 1 0 357.454 2.865 20 5 FFBDRO COc1ccc(OCC[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1 ZINC000602514655 521388589 /nfs/dbraw/zinc/38/85/89/521388589.db2.gz UAFLHMSWSWZQIV-UHFFFAOYSA-N 1 0 372.425 2.636 20 5 FFBDRO COc1cccc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1OC ZINC000602518812 521393022 /nfs/dbraw/zinc/39/30/22/521393022.db2.gz TYSBIVICSSHKFN-UHFFFAOYSA-N 1 0 372.425 2.766 20 5 FFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1CNCCC[NH+]1CCC(O)CC1 ZINC000602523855 521394891 /nfs/dbraw/zinc/39/48/91/521394891.db2.gz IUDLZPLDBNNESS-UHFFFAOYSA-N 1 0 361.364 2.550 20 5 FFBDRO C[C@H](c1ccccc1[N+](=O)[O-])N(C)CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000599682852 521396139 /nfs/dbraw/zinc/39/61/39/521396139.db2.gz LVKHFOAYZJJWIP-CYBMUJFWSA-N 1 0 371.393 2.998 20 5 FFBDRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000602529536 521397396 /nfs/dbraw/zinc/39/73/96/521397396.db2.gz PXUOKVHGYANDII-HNNXBMFYSA-N 1 0 360.439 2.788 20 5 FFBDRO O=C(N[C@@H]1CC[NH2+]C12CCC2)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000602531818 521398032 /nfs/dbraw/zinc/39/80/32/521398032.db2.gz LDOHAKHKPLOQSL-CQSZACIVSA-N 1 0 358.423 2.733 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@@H]3OCCc4ccccc43)CC2)cn1 ZINC000602544817 521404219 /nfs/dbraw/zinc/40/42/19/521404219.db2.gz DDHJJSJEPJOYCF-IBGZPJMESA-N 1 0 368.437 2.862 20 5 FFBDRO CC[C@@H]1CCCCN1CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602549355 521405433 /nfs/dbraw/zinc/40/54/33/521405433.db2.gz UNKBMIQHILCHNK-QGZVFWFLSA-N 1 0 361.490 2.813 20 5 FFBDRO CCO[C@@H]1C[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C12CCC2 ZINC000602548715 521406544 /nfs/dbraw/zinc/40/65/44/521406544.db2.gz VTORSXGFIFKKQD-IAGOWNOFSA-N 1 0 360.458 2.896 20 5 FFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NCc2cccc3c2CC[NH2+]C3)c1 ZINC000602586063 521424440 /nfs/dbraw/zinc/42/44/40/521424440.db2.gz XKNQCQGMZLPQIC-UHFFFAOYSA-N 1 0 357.435 2.892 20 5 FFBDRO C[C@@H](CC[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)[S@](C)=O ZINC000602593471 521428935 /nfs/dbraw/zinc/42/89/35/521428935.db2.gz LXCLTNMZFXKQLB-VIIUKITBSA-N 1 0 355.279 2.666 20 5 FFBDRO CC1(C)CCC[C@@](O)(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000602628057 521442818 /nfs/dbraw/zinc/44/28/18/521442818.db2.gz GZLFPDLPFMKUKO-IBGZPJMESA-N 1 0 362.474 2.880 20 5 FFBDRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000594200287 521466988 /nfs/dbraw/zinc/46/69/88/521466988.db2.gz KMSQHOWGEBEMOB-HZPDHXFCSA-N 1 0 369.425 2.527 20 5 FFBDRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000594204718 521470018 /nfs/dbraw/zinc/47/00/18/521470018.db2.gz XOKHXFBGRJYQLV-WMZOPIPTSA-N 1 0 369.425 2.527 20 5 FFBDRO CO[C@@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)Cc1ccccc1 ZINC000602673146 521472885 /nfs/dbraw/zinc/47/28/85/521472885.db2.gz IQDRDIWKFXEGDY-LJQANCHMSA-N 1 0 370.453 2.806 20 5 FFBDRO C[C@H](O)[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccccc1 ZINC000602715823 521494065 /nfs/dbraw/zinc/49/40/65/521494065.db2.gz OTXBOWRWWXFZAI-LIRRHRJNSA-N 1 0 356.426 2.670 20 5 FFBDRO CC(C)C[N@H+](C)CCCNC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597090826 521495960 /nfs/dbraw/zinc/49/59/60/521495960.db2.gz SHFQKAOWJCLXAI-UHFFFAOYSA-N 1 0 357.842 2.930 20 5 FFBDRO CC(C)C[NH+]1CCN(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)CC1 ZINC000597095222 521501865 /nfs/dbraw/zinc/50/18/65/521501865.db2.gz OUBJFILBBSRRNN-UHFFFAOYSA-N 1 0 355.826 2.636 20 5 FFBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)C[C@@H]1C ZINC000597100978 521505774 /nfs/dbraw/zinc/50/57/74/521505774.db2.gz NPBKMRPNJSWBLI-VHSXEESVSA-N 1 0 355.826 2.777 20 5 FFBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)Nc3cc(Cl)cc([N+](=O)[O-])c3N)CC[C@H]21 ZINC000597102553 521507575 /nfs/dbraw/zinc/50/75/75/521507575.db2.gz XUCAYUCKMYLIEO-ZWNOBZJWSA-N 1 0 367.837 2.778 20 5 FFBDRO [NH3+]CCN(Cc1ccc(O[C@@H]2CCOC2)cc1)c1ccccc1[N+](=O)[O-] ZINC000597126688 521524122 /nfs/dbraw/zinc/52/41/22/521524122.db2.gz GYVZSLZAFFXRJX-QGZVFWFLSA-N 1 0 357.410 2.728 20 5 FFBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594284291 521536029 /nfs/dbraw/zinc/53/60/29/521536029.db2.gz UXLCAVWDTNONJK-ROUUACIJSA-N 1 0 360.458 2.796 20 5 FFBDRO CC[C@@](C)(COc1ncccc1Cl)[NH2+]Cc1cn(C)nc1[N+](=O)[O-] ZINC000602797590 521539184 /nfs/dbraw/zinc/53/91/84/521539184.db2.gz NDBVBTKPQSDXTN-HNNXBMFYSA-N 1 0 353.810 2.714 20 5 FFBDRO COC(=O)c1cc(NC(=O)c2ccc(CC[NH+](C)C)cc2)cc([N+](=O)[O-])c1 ZINC000594300804 521547397 /nfs/dbraw/zinc/54/73/97/521547397.db2.gz JDOXOOKEDZMNCY-UHFFFAOYSA-N 1 0 371.393 2.738 20 5 FFBDRO O=C(CC[N@@H+]1CCCN(c2cc[nH+]cc2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000602844886 521566180 /nfs/dbraw/zinc/56/61/80/521566180.db2.gz HFWCJTCNWLAFSO-UHFFFAOYSA-N 1 0 369.425 2.531 20 5 FFBDRO COc1c(C(=O)N2C[C@@H](C[NH+](C)C)Oc3ccccc32)cccc1[N+](=O)[O-] ZINC000619439899 521568478 /nfs/dbraw/zinc/56/84/78/521568478.db2.gz ULVQUWNNDAAFLQ-CYBMUJFWSA-N 1 0 371.393 2.573 20 5 FFBDRO COc1c(C(=O)N2C[C@H](C[NH+](C)C)Oc3ccccc32)cccc1[N+](=O)[O-] ZINC000619439900 521568854 /nfs/dbraw/zinc/56/88/54/521568854.db2.gz ULVQUWNNDAAFLQ-ZDUSSCGKSA-N 1 0 371.393 2.573 20 5 FFBDRO O=[N+]([O-])c1ccccc1-c1ccc(CN2CCC([N@@H+]3CC[C@@H](O)C3)CC2)o1 ZINC000597235628 521588101 /nfs/dbraw/zinc/58/81/01/521588101.db2.gz IWAZPIXJTQKITK-MRXNPFEDSA-N 1 0 371.437 2.886 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000616118294 521624959 /nfs/dbraw/zinc/62/49/59/521624959.db2.gz FUMHFEGPGYJDKG-UHFFFAOYSA-N 1 0 355.398 2.961 20 5 FFBDRO O=C(C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])N[C@H]1CCOc2ccccc21 ZINC000619715654 521834759 /nfs/dbraw/zinc/83/47/59/521834759.db2.gz RRVZMYAHDMTKKY-WVRJYTFGSA-N 1 0 367.405 2.838 20 5 FFBDRO Cc1cc(N(C)C)nc(NCc2cc([N+](=O)[O-])ccc2OC(F)F)[nH+]1 ZINC000507767195 561740376 /nfs/dbraw/zinc/74/03/76/561740376.db2.gz CIPASVQWKHWEKY-UHFFFAOYSA-N 1 0 353.329 2.973 20 5 FFBDRO C[C@H]1CCC[N@@H+](C(C)(C)CNc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC000736264523 598367913 /nfs/dbraw/zinc/36/79/13/598367913.db2.gz FKZFJILZJJUTLS-LBPRGKRZSA-N 1 0 359.434 2.697 20 5 FFBDRO COc1ccc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000826202360 607532718 /nfs/dbraw/zinc/53/27/18/607532718.db2.gz XYPPCLFTJRYRBL-LLVKDONJSA-N 1 0 354.370 2.634 20 5 FFBDRO C[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824598561 608462790 /nfs/dbraw/zinc/46/27/90/608462790.db2.gz GKQFXCRQWMBVFJ-GFCCVEGCSA-N 1 0 354.370 2.505 20 5 FFBDRO C[N@H+](CC=Cc1ccccc1[N+](=O)[O-])Cc1cccc(-c2nn[nH]n2)c1 ZINC000825914626 608521483 /nfs/dbraw/zinc/52/14/83/608521483.db2.gz MBDXBFFYUKUNIV-WEVVVXLNSA-N 1 0 350.382 2.920 20 5 FFBDRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(C)cc(C)c1[N+](=O)[O-])C2 ZINC001164807457 720126924 /nfs/dbraw/zinc/12/69/24/720126924.db2.gz CLLNUJRNILCXSS-XLIONFOSSA-N 1 0 374.485 2.791 20 5 FFBDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc([N+](=O)[O-])ccn3)CC[C@@H]21 ZINC001164837832 720508996 /nfs/dbraw/zinc/50/89/96/720508996.db2.gz PNZQHSILARIZJG-NJAFHUGGSA-N 1 0 370.457 2.564 20 5 FFBDRO O=[N+]([O-])c1ccccc1-c1ccc(N2CC3(C2)CC[N@H+](CC2CC2)C3)nn1 ZINC001164770369 721300875 /nfs/dbraw/zinc/30/08/75/721300875.db2.gz RUVCSLFWGDOHKG-UHFFFAOYSA-N 1 0 365.437 2.974 20 5 FFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCCN(CCF)C1 ZINC000898484626 735366946 /nfs/dbraw/zinc/36/69/46/735366946.db2.gz VLRKCVVBBUZFIQ-CHWSQXEVSA-N 1 0 355.435 2.626 20 5 FFBDRO O=C(N[C@H]1C[C@@H]([NH+]2CCCC2)C1)c1cccc([N+](=O)[O-])c1Br ZINC000899209056 735459937 /nfs/dbraw/zinc/45/99/37/735459937.db2.gz IMKDMTYSZLZVSO-PHIMTYICSA-N 1 0 368.231 2.714 20 5 FFBDRO CC(C)[NH+]1CCC(NC(=O)COc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000114218406 728559295 /nfs/dbraw/zinc/55/92/95/728559295.db2.gz GODHZOQRVQYSJO-UHFFFAOYSA-N 1 0 355.822 2.616 20 5 FFBDRO CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])C1 ZINC000121075305 728620217 /nfs/dbraw/zinc/62/02/17/728620217.db2.gz CROLBKTXBJNHIB-HNNXBMFYSA-N 1 0 369.487 2.564 20 5 FFBDRO C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)CCc1nccs1 ZINC000129395493 728711429 /nfs/dbraw/zinc/71/14/29/728711429.db2.gz KJOAHMUEIPIEPX-UHFFFAOYSA-N 1 0 352.391 2.694 20 5 FFBDRO CC[C@](C)(CC(=O)OC)[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000134176665 728728923 /nfs/dbraw/zinc/72/89/23/728728923.db2.gz AYCHPNSIRVJJDO-QGZVFWFLSA-N 1 0 351.403 2.553 20 5 FFBDRO C[NH+](C)CCN(C1CCCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000152192634 728749555 /nfs/dbraw/zinc/74/95/55/728749555.db2.gz UFKVCAHXLPMTMZ-UHFFFAOYSA-N 1 0 373.450 2.619 20 5 FFBDRO CCN(C(=O)c1cccc([N+](=O)[O-])c1Br)[C@@H]1CC[N@H+](CC)C1 ZINC000857310872 730390846 /nfs/dbraw/zinc/39/08/46/730390846.db2.gz JKBXBYFCOJNYHG-LLVKDONJSA-N 1 0 370.247 2.914 20 5 FFBDRO Cc1c(NC(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)cccc1[N+](=O)[O-] ZINC000925138529 738481239 /nfs/dbraw/zinc/48/12/39/738481239.db2.gz HINXVWRCUKEHSD-HIFRSBDPSA-N 1 0 350.444 2.605 20 5 FFBDRO C[N@@H+]1CCC[C@@H](N2CCN(c3ccc([N+](=O)[O-])cc3C(F)F)CC2)C1 ZINC000865541470 730968244 /nfs/dbraw/zinc/96/82/44/730968244.db2.gz HCGOLVZAWHQRHW-CQSZACIVSA-N 1 0 354.401 2.749 20 5 FFBDRO CC(C)[NH+]1CCC(CCNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CC1 ZINC000866084341 731029564 /nfs/dbraw/zinc/02/95/64/731029564.db2.gz BPJWMJQHTZZYCV-UHFFFAOYSA-N 1 0 369.487 2.921 20 5 FFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C1CCN([C@H]2CCOC2)CC1 ZINC000866393736 731054712 /nfs/dbraw/zinc/05/47/12/731054712.db2.gz QESMVWSQBXULHW-GUYCJALGSA-N 1 0 351.422 2.508 20 5 FFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C1CCN([C@@H]2CCOC2)CC1 ZINC000866393734 731054724 /nfs/dbraw/zinc/05/47/24/731054724.db2.gz QESMVWSQBXULHW-CXAGYDPISA-N 1 0 351.422 2.508 20 5 FFBDRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000925482828 738510116 /nfs/dbraw/zinc/51/01/16/738510116.db2.gz OGIOTFXJAAPWNA-GFCCVEGCSA-N 1 0 360.801 2.994 20 5 FFBDRO CCS[C@@H]1CCC[C@H](NC(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C1 ZINC000867949763 731244648 /nfs/dbraw/zinc/24/46/48/731244648.db2.gz IIVKOZFMQSLPQN-LXZKKBNFSA-N 1 0 351.472 2.949 20 5 FFBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000868036002 731253423 /nfs/dbraw/zinc/25/34/23/731253423.db2.gz YQEUIQUGBSWAID-YGRLFVJLSA-N 1 0 355.797 2.530 20 5 FFBDRO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000868108512 731259683 /nfs/dbraw/zinc/25/96/83/731259683.db2.gz MCDCOZOLQGAGES-CMPLNLGQSA-N 1 0 356.329 2.554 20 5 FFBDRO C[N@@H+]1CC[C@H]2CN(C(=O)NCCc3ccc(Cl)cc3[N+](=O)[O-])CC[C@H]21 ZINC000868480603 731296675 /nfs/dbraw/zinc/29/66/75/731296675.db2.gz BKYOBZYYSPJTDA-DZGCQCFKSA-N 1 0 366.849 2.526 20 5 FFBDRO C[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)[C@H]1O)c1c(F)cccc1[N+](=O)[O-] ZINC000872068223 731726079 /nfs/dbraw/zinc/72/60/79/731726079.db2.gz FODDWGUCBXQRIU-AHIWAGSCSA-N 1 0 352.406 2.952 20 5 FFBDRO O=C1[C@H](c2ccc([N+](=O)[O-])cc2)CCN1C[N@@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000872720488 731819447 /nfs/dbraw/zinc/81/94/47/731819447.db2.gz QRPHTXXZHGRFHV-ZOBUZTSGSA-N 1 0 361.467 2.553 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@]1(N2CCOCC2)CCSC1 ZINC000873020100 731864849 /nfs/dbraw/zinc/86/48/49/731864849.db2.gz FFDDVZADMOREAU-SFHVURJKSA-N 1 0 365.499 2.509 20 5 FFBDRO Cc1c(C[NH2+]CCS(=O)(=O)CCc2ccccc2)cccc1[N+](=O)[O-] ZINC000873121367 731877095 /nfs/dbraw/zinc/87/70/95/731877095.db2.gz HLBZRAPUOBZAGY-UHFFFAOYSA-N 1 0 362.451 2.650 20 5 FFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1CNC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000877021420 732313679 /nfs/dbraw/zinc/31/36/79/732313679.db2.gz BFZAZCJXPZDUKH-KGLIPLIRSA-N 1 0 359.348 2.566 20 5 FFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@H](O)c3ccc(Cl)c(F)c3)C2)c1 ZINC000877129286 732326622 /nfs/dbraw/zinc/32/66/22/732326622.db2.gz MFYGSWYMAFTOEI-NWHVRFAMSA-N 1 0 354.769 2.611 20 5 FFBDRO CC1(CC[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)OCCO1 ZINC000877347525 732347410 /nfs/dbraw/zinc/34/74/10/732347410.db2.gz ZTTBLLWCWWWSDL-UHFFFAOYSA-N 1 0 351.222 2.662 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]Cc3ncc(Cl)s3)CC2)cn1 ZINC000877806311 732437403 /nfs/dbraw/zinc/43/74/03/732437403.db2.gz FCJIWZXXYSWVFF-UHFFFAOYSA-N 1 0 353.835 2.858 20 5 FFBDRO CO[C@H]1COCC[C@@H]1[N@H+](C)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000880437535 732908036 /nfs/dbraw/zinc/90/80/36/732908036.db2.gz MMQLHCIJCCPMNS-JSGCOSHPSA-N 1 0 359.220 2.593 20 5 FFBDRO O=C(CC[NH2+][C@H](CCO)c1cccs1)Nc1cc([N+](=O)[O-])ccc1F ZINC000782531606 738731593 /nfs/dbraw/zinc/73/15/93/738731593.db2.gz XNWDKPKEUJBXTF-CYBMUJFWSA-N 1 0 367.402 2.837 20 5 FFBDRO Cc1cc(Cl)c(C(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)cc1[N+](=O)[O-] ZINC000885886581 733726072 /nfs/dbraw/zinc/72/60/72/733726072.db2.gz ZLZAOTJEEKIRPA-CYBMUJFWSA-N 1 0 367.833 2.540 20 5 FFBDRO COc1ccc(C[NH2+]C[C@@H]2CC[C@]3(CO[C@@H](C)[C@H]3C)O2)cc1[N+](=O)[O-] ZINC000886340333 733775760 /nfs/dbraw/zinc/77/57/60/733775760.db2.gz FJZPPDNNKNFZBU-VAGZCVSGSA-N 1 0 350.415 2.666 20 5 FFBDRO COC[C@H]([NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1)[C@H]1CCCOC1 ZINC000886359276 733776979 /nfs/dbraw/zinc/77/69/79/733776979.db2.gz AEBAJSJNCOLILZ-JSGCOSHPSA-N 1 0 373.247 2.889 20 5 FFBDRO COC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000886651996 733813080 /nfs/dbraw/zinc/81/30/80/733813080.db2.gz WPYIJRXKAQZDBZ-SKDRFNHKSA-N 1 0 357.204 2.789 20 5 FFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1CC[C@]2(CO[C@H](C)C2)O1 ZINC000886768762 733829320 /nfs/dbraw/zinc/82/93/20/733829320.db2.gz HTWANDWZAYRHJK-GQGSAGHOSA-N 1 0 352.406 2.981 20 5 FFBDRO COC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1Br)[C@H]1CCCOC1 ZINC000886916290 733858754 /nfs/dbraw/zinc/85/87/54/733858754.db2.gz RMMAABQWDPGMDO-STQMWFEESA-N 1 0 373.247 2.889 20 5 FFBDRO CN(C)c1cc[nH+]c(CNC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000927709439 738772400 /nfs/dbraw/zinc/77/24/00/738772400.db2.gz DTJJYVJEEDAYPB-UHFFFAOYSA-N 1 0 362.817 2.958 20 5 FFBDRO C[C@@H]1CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CCN1c1cc[nH+]cc1 ZINC000893447231 734703174 /nfs/dbraw/zinc/70/31/74/734703174.db2.gz FTUJTAGDNMLHPC-GFCCVEGCSA-N 1 0 360.801 2.994 20 5 FFBDRO CN(C(=O)c1ccc(Br)c([N+](=O)[O-])c1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000732034219 734712994 /nfs/dbraw/zinc/71/29/94/734712994.db2.gz DHVMNLBEBGIRAY-LBPRGKRZSA-N 1 0 368.231 2.666 20 5 FFBDRO CN(C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C)C1 ZINC000894047150 734792828 /nfs/dbraw/zinc/79/28/28/734792828.db2.gz HOZDJJAQPZSHNS-CQSZACIVSA-N 1 0 354.838 2.526 20 5 FFBDRO CC(C)[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccn1 ZINC000784266863 738873689 /nfs/dbraw/zinc/87/36/89/738873689.db2.gz ZOWJBRSBSXKLEB-KRWDZBQOSA-N 1 0 363.439 2.750 20 5 FFBDRO CC[C@H](C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[NH+](CC)CC ZINC000741032362 735111896 /nfs/dbraw/zinc/11/18/96/735111896.db2.gz IZOPTIHWSQEGET-CQSZACIVSA-N 1 0 371.821 2.850 20 5 FFBDRO CCS(=O)(=O)c1ccccc1CC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000896815713 735184655 /nfs/dbraw/zinc/18/46/55/735184655.db2.gz JGBIVUHWWHSKNU-UHFFFAOYSA-N 1 0 362.451 2.763 20 5 FFBDRO Cc1cc(CC[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)nn1C ZINC000896818483 735184726 /nfs/dbraw/zinc/18/47/26/735184726.db2.gz DEHHDYVVDKQNAO-UHFFFAOYSA-N 1 0 359.249 2.793 20 5 FFBDRO COc1c(O)ccc(C[NH2+]C[C@@H]2CCC[C@H](C(F)(F)F)O2)c1[N+](=O)[O-] ZINC000896822162 735184893 /nfs/dbraw/zinc/18/48/93/735184893.db2.gz HSDCYCRGDBDMFC-CMPLNLGQSA-N 1 0 364.320 2.899 20 5 FFBDRO C[C@@H](C[NH2+]C1CCC(CS(C)(=O)=O)CC1)c1ccccc1[N+](=O)[O-] ZINC000897464384 735238007 /nfs/dbraw/zinc/23/80/07/735238007.db2.gz MCFPJZLKUKZJOO-NFOMZHRRSA-N 1 0 354.472 2.891 20 5 FFBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cc(Cl)c(F)c([N+](=O)[O-])c3)CC[C@H]21 ZINC000901105968 735744935 /nfs/dbraw/zinc/74/49/35/735744935.db2.gz WZITTXZVFBIVMU-ZWNOBZJWSA-N 1 0 355.797 2.944 20 5 FFBDRO CS[C@@H]1CN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C[C@@H]1[NH+](C)C ZINC000901230427 735759096 /nfs/dbraw/zinc/75/90/96/735759096.db2.gz PMBDAKDRSIOKIQ-NWDGAFQWSA-N 1 0 361.826 2.505 20 5 FFBDRO CC[N@@H+]1CCN([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C[C@H]1C ZINC000754389000 736154903 /nfs/dbraw/zinc/15/49/03/736154903.db2.gz XOPULNIVZMGOGF-NEPJUHHUSA-N 1 0 354.838 2.601 20 5 FFBDRO COc1cc(CN2CC[C@@H]3CC[C@@]32C[NH3+])c([N+](=O)[O-])cc1OC(F)F ZINC000903853368 736177113 /nfs/dbraw/zinc/17/71/13/736177113.db2.gz FHAYKBKKAGWUNE-MEDUHNTESA-N 1 0 357.357 2.518 20 5 FFBDRO [NH3+][C@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC[C@H]1C(F)(F)F ZINC000903981875 736199624 /nfs/dbraw/zinc/19/96/24/736199624.db2.gz JNDPMDWSVWXNFK-MNOVXSKESA-N 1 0 369.290 2.908 20 5 FFBDRO C[C@H]1C[C@@H](NC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000755025992 736227887 /nfs/dbraw/zinc/22/78/87/736227887.db2.gz PZBUTWBLJZKKAX-ONGXEEELSA-N 1 0 371.235 2.962 20 5 FFBDRO Cc1c(NC(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)cc(Br)cc1[N+](=O)[O-] ZINC000904464125 736253636 /nfs/dbraw/zinc/25/36/36/736253636.db2.gz XGQWXZXJWUHENE-HOSYDEDBSA-N 1 0 369.219 2.680 20 5 FFBDRO CC[N@@H+]1CCC[C@H]1CNC(=S)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000756790248 736361442 /nfs/dbraw/zinc/36/14/42/736361442.db2.gz PXYXJALCEZQAFC-ZDUSSCGKSA-N 1 0 356.879 2.697 20 5 FFBDRO CC1(C)C[C@@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCS1 ZINC000905662343 736378936 /nfs/dbraw/zinc/37/89/36/736378936.db2.gz IUDJRKZOPANERB-LBPRGKRZSA-N 1 0 358.485 2.632 20 5 FFBDRO C[C@@H]1[C@H](C)N(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000757771765 736425887 /nfs/dbraw/zinc/42/58/87/736425887.db2.gz SCEFICXGFHYOQZ-ZJUUUORDSA-N 1 0 371.235 2.914 20 5 FFBDRO CS[C@@H]1CN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C[C@H]1[NH+]1CCCC1 ZINC000758790912 736521222 /nfs/dbraw/zinc/52/12/22/736521222.db2.gz IVVJOPQPNUCKBN-REEAJDFCSA-N 1 0 361.467 2.646 20 5 FFBDRO C[NH+]1CCC(CNC(=S)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000760472943 736641838 /nfs/dbraw/zinc/64/18/38/736641838.db2.gz ASSDUTPMFVPPNV-UHFFFAOYSA-N 1 0 374.413 2.824 20 5 FFBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000761051166 736690623 /nfs/dbraw/zinc/69/06/23/736690623.db2.gz UWJSSXRCHOGGDO-SNVBAGLBSA-N 1 0 361.320 2.816 20 5 FFBDRO NC(=O)[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)Cc1ccc(F)cc1 ZINC000761525296 736743305 /nfs/dbraw/zinc/74/33/05/736743305.db2.gz FJZPYSUTXNEBPV-CYBMUJFWSA-N 1 0 365.792 2.821 20 5 FFBDRO C[NH+](C)CCOc1cc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccn1 ZINC000763257478 736919907 /nfs/dbraw/zinc/91/99/07/736919907.db2.gz LQVIXDPSRMFBFW-UHFFFAOYSA-N 1 0 364.789 2.836 20 5 FFBDRO CC[NH+](CC)CCSCC(=O)NCc1cc([N+](=O)[O-])c(F)cc1F ZINC000911473403 737202961 /nfs/dbraw/zinc/20/29/61/737202961.db2.gz BWDDBJRAACWEFI-UHFFFAOYSA-N 1 0 361.414 2.564 20 5 FFBDRO O=[N+]([O-])c1cc(CN2CCC[N@H+](C[C@H]3CCCO3)CC2)ccc1Cl ZINC000768555905 737432583 /nfs/dbraw/zinc/43/25/83/737432583.db2.gz UAFIVAPHJNFRNO-OAHLLOKOSA-N 1 0 353.850 2.935 20 5 FFBDRO O=[N+]([O-])c1cccc(Br)c1CN1CCC(c2nnc[nH]2)CC1 ZINC000769482448 737533950 /nfs/dbraw/zinc/53/39/50/737533950.db2.gz CVLFTFGFYDBWMI-UHFFFAOYSA-N 1 0 366.219 2.855 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)C[C@H]1C ZINC000771762311 737753399 /nfs/dbraw/zinc/75/33/99/737753399.db2.gz OCSOSCYBOWEZPE-OLZOCXBDSA-N 1 0 373.450 2.536 20 5 FFBDRO O=[N+]([O-])c1cc2cnn(C[N@@H+]3CC[C@@H]([C@@H]4CCOC4)C3)c2c(Cl)c1 ZINC000774637581 738008322 /nfs/dbraw/zinc/00/83/22/738008322.db2.gz BZFOMPMQEGUACJ-VXGBXAGGSA-N 1 0 350.806 2.914 20 5 FFBDRO COc1ccc(C[NH2+]CCn2nc(C(F)(F)F)cc2C)cc1[N+](=O)[O-] ZINC000922427647 738143980 /nfs/dbraw/zinc/14/39/80/738143980.db2.gz DOJZZDHDUKFUGK-UHFFFAOYSA-N 1 0 358.320 2.917 20 5 FFBDRO O=[N+]([O-])c1ccc(Cl)c(CNC2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000776173853 738168031 /nfs/dbraw/zinc/16/80/31/738168031.db2.gz BIDPCHXZQJDIKX-INIZCTEOSA-N 1 0 353.850 2.981 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)CN2CC[NH+](CCc3cccs3)CC2)cc1 ZINC000776278242 738177085 /nfs/dbraw/zinc/17/70/85/738177085.db2.gz SNWYMUOJPBMUJG-SFHVURJKSA-N 1 0 361.467 2.550 20 5 FFBDRO O=[N+]([O-])c1ccc(I)c(OCC[C@@H]2CC[NH2+]C2)c1 ZINC000818619673 742284830 /nfs/dbraw/zinc/28/48/30/742284830.db2.gz ISUHTEGRIVWKCF-VIFPVBQESA-N 1 0 362.167 2.578 20 5 FFBDRO CCS(=O)(=O)c1ccccc1CC[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000922686597 738185651 /nfs/dbraw/zinc/18/56/51/738185651.db2.gz KYEHDBWNDKBPJI-UHFFFAOYSA-N 1 0 366.414 2.860 20 5 FFBDRO CC(C)(C)OC(=O)C1CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776582910 738210861 /nfs/dbraw/zinc/21/08/61/738210861.db2.gz WFIRVCFJSGAGLX-INIZCTEOSA-N 1 0 350.415 2.682 20 5 FFBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)CCc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000931118486 739214853 /nfs/dbraw/zinc/21/48/53/739214853.db2.gz UJTCMQQDTUJFLB-CQSZACIVSA-N 1 0 351.422 2.903 20 5 FFBDRO COC(=O)N1CCC([C@H](C)[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000788762448 739281366 /nfs/dbraw/zinc/28/13/66/739281366.db2.gz GZEDOSJOELBKCE-RYUDHWBXSA-N 1 0 350.419 2.695 20 5 FFBDRO COC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Br)[C@H]1CCCOC1 ZINC000931755216 739324401 /nfs/dbraw/zinc/32/44/01/739324401.db2.gz QUWVYVCMJYPFLJ-NHYWBVRUSA-N 1 0 373.247 2.889 20 5 FFBDRO CC(C)(C)OC[C@H]1CCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000932166967 739397513 /nfs/dbraw/zinc/39/75/13/739397513.db2.gz GKKRTJNQOVZRDE-HUUCEWRRSA-N 1 0 352.431 2.614 20 5 FFBDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000791335178 739549167 /nfs/dbraw/zinc/54/91/67/739549167.db2.gz CTJRHDPTBADDBP-NSHDSACASA-N 1 0 352.410 2.556 20 5 FFBDRO CC(C)(CNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C[NH+]1CCCC1 ZINC000791893895 739613892 /nfs/dbraw/zinc/61/38/92/739613892.db2.gz BVJKLZOFIRUBCC-UHFFFAOYSA-N 1 0 355.385 2.925 20 5 FFBDRO Cn1cc([C@@H]2CSCCC[N@@H+]2CCOc2ccccc2[N+](=O)[O-])cn1 ZINC000933983574 739715785 /nfs/dbraw/zinc/71/57/85/739715785.db2.gz WKIAVOZSVDCZRD-INIZCTEOSA-N 1 0 362.455 2.887 20 5 FFBDRO C[NH+]1CCC(CNC(=S)NC(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000793310265 739765236 /nfs/dbraw/zinc/76/52/36/739765236.db2.gz WFGPEPACDASFMB-UHFFFAOYSA-N 1 0 350.488 2.636 20 5 FFBDRO O=C(C[NH2+][C@@H]1CCOC12CCCC2)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000934389355 739779526 /nfs/dbraw/zinc/77/95/26/739779526.db2.gz DAFLSYWHGIWOJF-CQSZACIVSA-N 1 0 353.806 2.878 20 5 FFBDRO COC(=O)N1CCC([C@H](C)[NH2+]Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000796012900 740090680 /nfs/dbraw/zinc/09/06/80/740090680.db2.gz BXKKLBBIYRUCDR-JTQLQIEISA-N 1 0 357.357 2.830 20 5 FFBDRO C[C@@H](CO)[N@@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)CC1CCC1 ZINC000796549329 740152710 /nfs/dbraw/zinc/15/27/10/740152710.db2.gz WQOLZXAMOWNMSA-NSHDSACASA-N 1 0 355.822 2.670 20 5 FFBDRO COC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000797520938 740253271 /nfs/dbraw/zinc/25/32/71/740253271.db2.gz RAKWBEJYTQQTDD-GXTWGEPZSA-N 1 0 351.403 2.560 20 5 FFBDRO C[NH+](C)CC1(NC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CCC1 ZINC000799224334 740400844 /nfs/dbraw/zinc/40/08/44/740400844.db2.gz RTYPUBXMDPXHHR-UHFFFAOYSA-N 1 0 371.235 2.963 20 5 FFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)OC[C@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC000805823183 741014018 /nfs/dbraw/zinc/01/40/18/741014018.db2.gz ARPSZTIQEKIBFO-CYBMUJFWSA-N 1 0 368.455 2.830 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H](CCO)c2ccc(Cl)cc2)cc1 ZINC000805821696 741014069 /nfs/dbraw/zinc/01/40/69/741014069.db2.gz MGSIHPOPHPTYNA-IRXDYDNUSA-N 1 0 350.802 2.995 20 5 FFBDRO C[N@H+](Cc1cc(Cl)ccc1F)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985429587 741395301 /nfs/dbraw/zinc/39/53/01/741395301.db2.gz AMGXZRZPLSGETI-GDBMZVCRSA-N 1 0 369.824 2.567 20 5 FFBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000811478312 741527824 /nfs/dbraw/zinc/52/78/24/741527824.db2.gz FYXKGPCHZQTVMT-STQMWFEESA-N 1 0 360.241 2.854 20 5 FFBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]CC1(N2CCOCC2)CC1 ZINC000811495415 741529580 /nfs/dbraw/zinc/52/95/80/741529580.db2.gz DFFBKQMKRQMMSJ-UHFFFAOYSA-N 1 0 360.241 2.856 20 5 FFBDRO CCCC[N@H+](C)C[C@@H](C)Nc1c([N+](=O)[O-])cc(CO)c(C)c1[N+](=O)[O-] ZINC000811848912 741567082 /nfs/dbraw/zinc/56/70/82/741567082.db2.gz ZQGKWLGBJGCHML-LLVKDONJSA-N 1 0 354.407 2.836 20 5 FFBDRO COC1CCN(C(C)(C)C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000815578562 741946304 /nfs/dbraw/zinc/94/63/04/741946304.db2.gz QRIKMYABNYGNNK-CYBMUJFWSA-N 1 0 350.463 2.717 20 5 FFBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)[C@H]1n1cccn1 ZINC000816672594 742052585 /nfs/dbraw/zinc/05/25/85/742052585.db2.gz DUSPSBJTAXZUME-NUEKZKHPSA-N 1 0 350.806 2.953 20 5 FFBDRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000818009838 742229251 /nfs/dbraw/zinc/22/92/51/742229251.db2.gz BVWOTMMHRDTRPZ-GOEBONIOSA-N 1 0 367.833 2.607 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCc2csc(N3CCCC3)n2)cc1 ZINC000819069082 742333564 /nfs/dbraw/zinc/33/35/64/742333564.db2.gz STZXNQFJUITHOZ-MRXNPFEDSA-N 1 0 362.455 2.517 20 5 FFBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@@H](O)COc2ccccc2F)c1 ZINC000819148819 742343958 /nfs/dbraw/zinc/34/39/58/742343958.db2.gz FIHAZNCCRLKHPQ-CYBMUJFWSA-N 1 0 354.765 2.917 20 5 FFBDRO CC(C)[C@@H](C(=O)OCc1ccc(Br)cc1[N+](=O)[O-])[NH+](C)C ZINC000820577346 742521605 /nfs/dbraw/zinc/52/16/05/742521605.db2.gz DEVCSSNIMZUREK-ZDUSSCGKSA-N 1 0 359.220 2.987 20 5 FFBDRO CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000824494474 743091883 /nfs/dbraw/zinc/09/18/83/743091883.db2.gz AXPYYJOXYYEGGO-NHAGDIPZSA-N 1 0 351.378 2.689 20 5 FFBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@H]2CS(=O)(=O)c3ccccc32)c1 ZINC000824514652 743097236 /nfs/dbraw/zinc/09/72/36/743097236.db2.gz AMMOWFDDOUCVHR-LBPRGKRZSA-N 1 0 366.826 2.909 20 5 FFBDRO C[NH+]1CCC2(CC1)CN(c1ccc([N+](=O)[O-])cc1C(F)(F)F)CCO2 ZINC000826773112 743439266 /nfs/dbraw/zinc/43/92/66/743439266.db2.gz MTIFFZWSPQTLOF-UHFFFAOYSA-N 1 0 359.348 2.915 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2csc(NC[C@H]3C[N@@H+]4CCC[C@H]4CO3)n2)cc1 ZINC000827497333 743589849 /nfs/dbraw/zinc/58/98/49/743589849.db2.gz UMPHOOYDKAPDKA-GJZGRUSLSA-N 1 0 360.439 2.993 20 5 FFBDRO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000832073193 745630988 /nfs/dbraw/zinc/63/09/88/745630988.db2.gz XDRPZTSVYZJAEY-YPMHNXCESA-N 1 0 369.805 2.508 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(F)c(C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)c1F ZINC000834476310 745846229 /nfs/dbraw/zinc/84/62/29/745846229.db2.gz VASFYIIARIGPBT-GFCCVEGCSA-N 1 0 353.369 2.928 20 5 FFBDRO CS[C@@H]1CN(C(=O)c2cc(Cl)c(C)cc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000836779644 746304566 /nfs/dbraw/zinc/30/45/66/746304566.db2.gz ICDCPQXLMVTKIQ-ZIAGYGMSSA-N 1 0 357.863 2.674 20 5 FFBDRO CC[NH+](CC)CCN(CCOC)C(=O)c1cc(Cl)c(C)cc1[N+](=O)[O-] ZINC000839275773 746807108 /nfs/dbraw/zinc/80/71/08/746807108.db2.gz DUIGRXCPWRDJFK-UHFFFAOYSA-N 1 0 371.865 2.987 20 5 FFBDRO CC(C)[N@@H+]1CC[C@H](N(C)CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000839615201 746871994 /nfs/dbraw/zinc/87/19/94/746871994.db2.gz JHQCFAZHZKFJBD-ZDUSSCGKSA-N 1 0 354.838 2.601 20 5 FFBDRO CCCC[C@@H](C[NH3+])NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841162630 747285457 /nfs/dbraw/zinc/28/54/57/747285457.db2.gz YGWDZMPNFVPLLJ-JTQLQIEISA-N 1 0 359.224 2.996 20 5 FFBDRO C[C@@H](CNC(=O)N[C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F)[NH+](C)C ZINC000841747286 747447465 /nfs/dbraw/zinc/44/74/65/747447465.db2.gz POVWTLNTMHBTDZ-QPUJVOFHSA-N 1 0 366.315 2.587 20 5 FFBDRO [NH3+][C@H]1CCO[C@H](C2CCN(C(=O)c3cc([N+](=O)[O-])ccc3Cl)CC2)C1 ZINC000842510339 747623476 /nfs/dbraw/zinc/62/34/76/747623476.db2.gz QCLYRCHGVPDEAX-LRDDRELGSA-N 1 0 367.833 2.607 20 5 FFBDRO CCC([NH3+])(CC)CNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000843350928 747815173 /nfs/dbraw/zinc/81/51/73/747815173.db2.gz BSMOUUJOEYTJKR-UHFFFAOYSA-N 1 0 362.199 2.744 20 5 FFBDRO C[NH2+]CC1CCN([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000843349120 747815207 /nfs/dbraw/zinc/81/52/07/747815207.db2.gz HTRLCJDDLHRGFT-LLVKDONJSA-N 1 0 354.838 2.507 20 5 FFBDRO C[NH2+]CC1CCN([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000843349121 747815453 /nfs/dbraw/zinc/81/54/53/747815453.db2.gz HTRLCJDDLHRGFT-NSHDSACASA-N 1 0 354.838 2.507 20 5 FFBDRO Cc1c([N+](=O)[O-])cc(C(=O)NC[C@H](CC(C)C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000843797101 747897070 /nfs/dbraw/zinc/89/70/70/747897070.db2.gz RVUBYGADMMMKAK-ZDUSSCGKSA-N 1 0 352.391 2.518 20 5 FFBDRO CS[C@H]1CN(C(=O)c2c(C)c(F)ccc2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000843854284 747912381 /nfs/dbraw/zinc/91/23/81/747912381.db2.gz KDRHLSGTGLYAJW-CABCVRRESA-N 1 0 367.446 2.694 20 5 FFBDRO C[N@@H+]1CCC[C@@H](N2CCN(c3cc(Cl)c(F)cc3[N+](=O)[O-])CC2)C1 ZINC000845496239 748269760 /nfs/dbraw/zinc/26/97/60/748269760.db2.gz RMLGVCNMNWLBRK-GFCCVEGCSA-N 1 0 356.829 2.604 20 5 FFBDRO C[N@@H+]1CCC[C@H](N2CCN(c3cc(Cl)c(F)cc3[N+](=O)[O-])CC2)C1 ZINC000845496241 748269836 /nfs/dbraw/zinc/26/98/36/748269836.db2.gz RMLGVCNMNWLBRK-LBPRGKRZSA-N 1 0 356.829 2.604 20 5 FFBDRO [NH3+]CC1(CCNC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000846307086 748455242 /nfs/dbraw/zinc/45/52/42/748455242.db2.gz MYWSLBFCJSNOOU-UHFFFAOYSA-N 1 0 357.208 2.608 20 5 FFBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NOC1CC[NH+](C)CC1 ZINC000846647748 748518127 /nfs/dbraw/zinc/51/81/27/748518127.db2.gz PAUPLZXHMNXHHL-UHFFFAOYSA-N 1 0 353.444 2.853 20 5 FFBDRO COc1cc(C(=O)OC[C@H](C)[NH+]2CCCCC2)c([N+](=O)[O-])cc1OC ZINC000847958395 748817044 /nfs/dbraw/zinc/81/70/44/748817044.db2.gz JHOSPXVOWHPPST-LBPRGKRZSA-N 1 0 352.387 2.643 20 5 FFBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000848510492 748946352 /nfs/dbraw/zinc/94/63/52/748946352.db2.gz TXEPIJRAFUUAEN-CHWSQXEVSA-N 1 0 373.862 2.543 20 5 FFBDRO COC(=O)c1cnc(NC[C@H](c2ccc(C)cc2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000190170305 971103220 /nfs/dbraw/zinc/10/32/20/971103220.db2.gz KATKVMIHOHSKRR-MRXNPFEDSA-N 1 0 358.398 2.800 20 5 FFBDRO Nc1ccc(NCC2(O)CC[NH+](Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000840376624 971183849 /nfs/dbraw/zinc/18/38/49/971183849.db2.gz HGAPGMZFMKQUAH-UHFFFAOYSA-N 1 0 356.426 2.616 20 5 FFBDRO COc1c(O)ccc(C[N@@H+]2C[C@@H]3COC[C@]3(c3ccccc3)C2)c1[N+](=O)[O-] ZINC000896220228 971344887 /nfs/dbraw/zinc/34/48/87/971344887.db2.gz NBKHGMFXBIHBSW-UZLBHIALSA-N 1 0 370.405 2.709 20 5 FFBDRO CC1([NH+]2CCC2)CCC(Nc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1 ZINC000896254943 971374595 /nfs/dbraw/zinc/37/45/95/971374595.db2.gz LHQVMJFUZSUDTL-UHFFFAOYSA-N 1 0 360.414 2.745 20 5 FFBDRO Nc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC001151903397 1032059685 /nfs/dbraw/zinc/05/96/85/1032059685.db2.gz KFWMBDVQTILTID-UHFFFAOYSA-N 1 0 360.458 2.905 20 5 FFBDRO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)C2 ZINC000872267855 1013191642 /nfs/dbraw/zinc/19/16/42/1013191642.db2.gz LCRTWOFWPXFHLU-BGYRXZFFSA-N 1 0 372.469 2.657 20 5 FFBDRO C[C@@H]1C[C@@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)C[N@@H+]1Cc1ccccc1 ZINC000134883618 960093053 /nfs/dbraw/zinc/09/30/53/960093053.db2.gz LOJGNWBUKQNTKH-CRAIPNDOSA-N 1 0 353.422 2.917 20 5 FFBDRO O=[N+]([O-])c1cnc(Cl)nc1N1Cc2ccccc2C2(CC[NH2+]CC2)C1 ZINC001167159422 960334198 /nfs/dbraw/zinc/33/41/98/960334198.db2.gz CJQUJCXMHWUQDM-UHFFFAOYSA-N 1 0 359.817 2.680 20 5 FFBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)C1 ZINC001137058889 1013212210 /nfs/dbraw/zinc/21/22/10/1013212210.db2.gz ZEUNELHCEMEVHL-BDAKNGLRSA-N 1 0 358.801 2.572 20 5 FFBDRO CNC(=O)COc1cccc(C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)c1 ZINC000873016149 1013349891 /nfs/dbraw/zinc/34/98/91/1013349891.db2.gz HFIOAHAGCOSBNW-UHFFFAOYSA-N 1 0 357.410 2.626 20 5 FFBDRO C[NH+](C)CCCC(C)(C)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000891312593 963072602 /nfs/dbraw/zinc/07/26/02/963072602.db2.gz ZLYVQCONRJOITB-UHFFFAOYSA-N 1 0 365.430 2.606 20 5 FFBDRO C[C@@H](NC(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1)c1ccccc1[N+](=O)[O-] ZINC000891751226 965015703 /nfs/dbraw/zinc/01/57/03/965015703.db2.gz RCIJWLIQVSAIKM-CJNGLKHVSA-N 1 0 354.410 2.670 20 5 FFBDRO C[C@@H]1CC[C@@H](NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C[NH2+]1 ZINC000638651175 965216092 /nfs/dbraw/zinc/21/60/92/965216092.db2.gz NRHLIZBRVWXIDZ-ZWNOBZJWSA-N 1 0 371.387 2.830 20 5 FFBDRO C[C@@H]1CCN(C(=O)Nc2cc(N3CC[NH+](C)CC3)ccc2[N+](=O)[O-])[C@H]1C ZINC000934041546 965541466 /nfs/dbraw/zinc/54/14/66/965541466.db2.gz CQRCGSNVROIWOI-KGLIPLIRSA-N 1 0 361.446 2.609 20 5 FFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1F)N1CCN(Cc2ccccc2)CC1 ZINC000121684427 965709434 /nfs/dbraw/zinc/70/94/34/965709434.db2.gz ZGZDJJQUVCNWSQ-UHFFFAOYSA-N 1 0 357.385 2.621 20 5 FFBDRO C[NH+](C)Cc1ccc(CNC(=O)NCc2cccc([N+](=O)[O-])c2)cc1F ZINC000135257957 967042930 /nfs/dbraw/zinc/04/29/30/967042930.db2.gz CQPKFNMHIWPBFZ-UHFFFAOYSA-N 1 0 360.389 2.795 20 5 FFBDRO CC[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ccc(C2CCCC2)cc1 ZINC001267241503 967383970 /nfs/dbraw/zinc/38/39/70/967383970.db2.gz ZLNCRIQYCGZYMJ-RTBURBONSA-N 1 0 359.470 2.948 20 5 FFBDRO Cc1cc(C(=O)N2CCC[C@@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)c(N)c([N+](=O)[O-])c1 ZINC000729523263 967620931 /nfs/dbraw/zinc/62/09/31/967620931.db2.gz LEJBPDGEZSHGPL-QLFBSQMISA-N 1 0 360.458 2.963 20 5 FFBDRO Cc1cc(C(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)c(N)c([N+](=O)[O-])c1 ZINC000729525369 967667012 /nfs/dbraw/zinc/66/70/12/967667012.db2.gz HWGFHDWPSWCYJI-ZIAGYGMSSA-N 1 0 362.474 2.972 20 5 FFBDRO C[C@@H](Nc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1)[C@@H]1C[N@H+](C)CCN1C ZINC000895246129 968758366 /nfs/dbraw/zinc/75/83/66/968758366.db2.gz LRGZWYRJFHRBQU-DYVFJYSZSA-N 1 0 373.432 2.842 20 5 FFBDRO Cc1c(CC(=O)N2CCN(c3cc[nH+]cc3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000895268756 968876662 /nfs/dbraw/zinc/87/66/62/968876662.db2.gz PXDMAHCDXPPZSL-AWEZNQCLSA-N 1 0 354.410 2.578 20 5 FFBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 ZINC000177572167 969273471 /nfs/dbraw/zinc/27/34/71/969273471.db2.gz PQSDZIJTAFXIMC-HUUCEWRRSA-N 1 0 360.458 2.798 20 5 FFBDRO COc1ccc(NC(=O)CC[N@H+](C)Cc2c(C)noc2C)c([N+](=O)[O-])c1 ZINC000072514353 969829209 /nfs/dbraw/zinc/82/92/09/969829209.db2.gz VIXGKBSGJKTBLE-UHFFFAOYSA-N 1 0 362.386 2.669 20 5 FFBDRO C[C@H]1[NH2+]C[C@H]1Oc1c(Br)cc(Br)cc1[N+](=O)[O-] ZINC001218385338 969897943 /nfs/dbraw/zinc/89/79/43/969897943.db2.gz LGVCJOROURHZEO-MLUIRONXSA-N 1 0 366.009 2.859 20 5 FFBDRO C[C@H](CNC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21)c1ccccc1[N+](=O)[O-] ZINC000897062348 973213431 /nfs/dbraw/zinc/21/34/31/973213431.db2.gz SVASZGLMLKLIBZ-BFYDXBDKSA-N 1 0 360.458 2.824 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3CCN(CC(F)(F)F)C3)CC2)cc1 ZINC000125922458 976175443 /nfs/dbraw/zinc/17/54/43/976175443.db2.gz MTTZQOIKTKNUKT-AWEZNQCLSA-N 1 0 372.391 2.790 20 5 FFBDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000126060242 977155062 /nfs/dbraw/zinc/15/50/62/977155062.db2.gz FLAAKCHYGSAAQC-KRWDZBQOSA-N 1 0 362.474 2.805 20 5 FFBDRO C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000899814638 977345452 /nfs/dbraw/zinc/34/54/52/977345452.db2.gz IPLNXYRPAZHBOV-ZDUSSCGKSA-N 1 0 365.393 2.822 20 5 FFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C3CCN(Cc4ccccc4)CC3)C2)c1 ZINC000876895075 1014412402 /nfs/dbraw/zinc/41/24/02/1014412402.db2.gz VMHPTFKKJGZOJG-UHFFFAOYSA-N 1 0 355.442 2.749 20 5 FFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C3CCN(Cc4ccc(F)cc4)CC3)C2)c1 ZINC000876945348 1014428486 /nfs/dbraw/zinc/42/84/86/1014428486.db2.gz AUFRLMDTBZUBFM-UHFFFAOYSA-N 1 0 373.432 2.888 20 5 FFBDRO Cc1ncc2c(n1)CCC[C@@H]2[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000877031972 1014456245 /nfs/dbraw/zinc/45/62/45/1014456245.db2.gz DMIIATFVGFWIJI-SFHVURJKSA-N 1 0 368.441 2.724 20 5 FFBDRO Cc1c(C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000067593517 981267948 /nfs/dbraw/zinc/26/79/48/981267948.db2.gz AOXKGFCTAMBGJH-LBPRGKRZSA-N 1 0 364.402 2.662 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000877895739 1014756778 /nfs/dbraw/zinc/75/67/78/1014756778.db2.gz WPKKWXJMFYPBBL-UHFFFAOYSA-N 1 0 362.430 2.943 20 5 FFBDRO CCOC(=O)C1([C@@H](C)[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCOCC1 ZINC000897745667 982508878 /nfs/dbraw/zinc/50/88/78/982508878.db2.gz MUWCQVDRCJNWJH-DDJMYBDESA-N 1 0 362.426 2.946 20 5 FFBDRO O=[N+]([O-])c1ccccc1-c1nnc(CN2CC[C@H](C[NH+]3CCCC3)C2)o1 ZINC000878124612 1014871262 /nfs/dbraw/zinc/87/12/62/1014871262.db2.gz IWDRUWBRYKBWMR-CQSZACIVSA-N 1 0 357.414 2.563 20 5 FFBDRO C[NH+](C)[C@@H]1C[C@@H](NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)C12CCC2 ZINC001168337067 982977341 /nfs/dbraw/zinc/97/73/41/982977341.db2.gz DIKXMPSMXCHBJZ-GHMZBOCLSA-N 1 0 370.812 2.572 20 5 FFBDRO CC(C)[C@H](C[NH+](C)C)NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000911850024 983911354 /nfs/dbraw/zinc/91/13/54/983911354.db2.gz YBEGJUOEHMUPMZ-INIZCTEOSA-N 1 0 356.426 2.973 20 5 FFBDRO C[NH+]1C[C@]2(C)CN(C(=O)c3ccc([N+](=O)[O-])c4cccnc34)C[C@@]2(C)C1 ZINC000913284761 984231530 /nfs/dbraw/zinc/23/15/30/984231530.db2.gz QGGYJYHBXADFCZ-RTBURBONSA-N 1 0 354.410 2.557 20 5 FFBDRO C[NH+](C)C1(C)CCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000913401280 984255864 /nfs/dbraw/zinc/25/58/64/984255864.db2.gz GYSNBHGUUMTXBH-UHFFFAOYSA-N 1 0 374.485 2.754 20 5 FFBDRO Cc1nn(CN2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)c(C)c1[N+](=O)[O-] ZINC000173531958 985858650 /nfs/dbraw/zinc/85/86/50/985858650.db2.gz MZOSAEQGHOFBBZ-OAHLLOKOSA-N 1 0 357.458 2.962 20 5 FFBDRO CCOC(=O)Cc1ccc(N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c([N+](=O)[O-])c1 ZINC000826075963 1015238016 /nfs/dbraw/zinc/23/80/16/1015238016.db2.gz IOLYOEGCDAFOJS-XYPWUTKMSA-N 1 0 361.442 2.762 20 5 FFBDRO C[NH+](C)C1(C)CCC(NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)CC1 ZINC001152151679 1032113792 /nfs/dbraw/zinc/11/37/92/1032113792.db2.gz OUUXJGOLZPCKMC-UHFFFAOYSA-N 1 0 371.441 2.978 20 5 FFBDRO C[C@@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1cccc(N2CCOC2=O)c1 ZINC000765848633 986725788 /nfs/dbraw/zinc/72/57/88/986725788.db2.gz JUACKZKKLHZQNS-ACJLOTCBSA-N 1 0 371.393 2.936 20 5 FFBDRO COC(=O)[C@@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H]1c1ccc(O)cc1 ZINC000451098901 987356199 /nfs/dbraw/zinc/35/61/99/987356199.db2.gz UZDWLHXARJHMKH-RBUKOAKNSA-N 1 0 370.405 2.732 20 5 FFBDRO CC1([NH+]2CCC2)CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CC1 ZINC000922177370 988028978 /nfs/dbraw/zinc/02/89/78/988028978.db2.gz OAAAFEIICQJTKK-UHFFFAOYSA-N 1 0 372.469 2.895 20 5 FFBDRO COc1cc(-n2nc(-c3ccccc3)nc2CC[NH3+])cc([N+](=O)[O-])c1C ZINC001168714068 988183227 /nfs/dbraw/zinc/18/32/27/988183227.db2.gz FHUUEROITBVSSF-UHFFFAOYSA-N 1 0 353.382 2.661 20 5 FFBDRO CCc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])CC[C@@H]3C2)cc1 ZINC000946589185 988763362 /nfs/dbraw/zinc/76/33/62/988763362.db2.gz LHEFPOAJHPLIAN-IYWMVGAKSA-N 1 0 371.481 2.585 20 5 FFBDRO C/C(=C/C(=O)N1CCC([NH2+]C2CCOCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000922878722 988967313 /nfs/dbraw/zinc/96/73/13/988967313.db2.gz SVHGHVKRFNVFET-PFONDFGASA-N 1 0 373.453 2.758 20 5 FFBDRO Cc1ccc(C(=O)N2CC[NH2+][C@@H](Cc3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC001168744958 989314418 /nfs/dbraw/zinc/31/44/18/989314418.db2.gz UNKXMQQHULLGQX-KRWDZBQOSA-N 1 0 357.385 2.699 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@H](O)c2cccc(C(F)(F)F)c2)cc1 ZINC000916966396 990081067 /nfs/dbraw/zinc/08/10/67/990081067.db2.gz DMBGMAPUNKYDHE-HOTGVXAUSA-N 1 0 370.327 2.970 20 5 FFBDRO COc1cc(CC[NH2+]C[C@H](O)c2cccc(F)c2)c([N+](=O)[O-])cc1OC ZINC000916989245 990086105 /nfs/dbraw/zinc/08/61/05/990086105.db2.gz CXSXWGODKGHYBK-INIZCTEOSA-N 1 0 364.373 2.617 20 5 FFBDRO CC(C)(C[NH2+]CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1)C(=O)[O-] ZINC001590756904 990553288 /nfs/dbraw/zinc/55/32/88/990553288.db2.gz IHTDPNUGNSXNPY-UHFFFAOYSA-N 1 0 363.458 2.550 20 5 FFBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000711061136 990665043 /nfs/dbraw/zinc/66/50/43/990665043.db2.gz RJMUJDYOGZEVDA-XJKSGUPXSA-N 1 0 365.430 2.709 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N3CC[N@@H+]4CCC[C@@H]4C3)cc2[N+](=O)[O-])CC1 ZINC000195316885 990841814 /nfs/dbraw/zinc/84/18/14/990841814.db2.gz HHJPUWICFAGXNF-QGZVFWFLSA-N 1 0 372.469 2.751 20 5 FFBDRO O=C(NCC1C[NH+](Cc2ccc(-c3ccsc3)cc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001031662893 990864121 /nfs/dbraw/zinc/86/41/21/990864121.db2.gz OJGXJYYIMMMZEU-QZTJIDSGSA-N 1 0 371.462 2.628 20 5 FFBDRO CN(C(=O)CN1C[C@H](CC[NH3+])Cc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000923547327 991232323 /nfs/dbraw/zinc/23/23/23/991232323.db2.gz OUWYHAALRBSCJG-OAHLLOKOSA-N 1 0 368.437 2.585 20 5 FFBDRO O=C(C[NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000879669260 1015630135 /nfs/dbraw/zinc/63/01/35/1015630135.db2.gz MFAHNOHQFXENRB-ZIAGYGMSSA-N 1 0 369.343 2.971 20 5 FFBDRO CCC1([NH2+]Cc2cccc(Cl)c2)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001484811998 991760108 /nfs/dbraw/zinc/76/01/08/991760108.db2.gz HONFNVRUTWAMCE-HZPDHXFCSA-N 1 0 365.861 2.866 20 5 FFBDRO O=C(C[NH2+]C1([C@H]2CCCCO2)CCC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000879735447 1015659074 /nfs/dbraw/zinc/65/90/74/1015659074.db2.gz WNNGUFCKCFXMGF-QGZVFWFLSA-N 1 0 359.426 2.565 20 5 FFBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880263004 1015793751 /nfs/dbraw/zinc/79/37/51/1015793751.db2.gz VPQWCBBZLLPXQT-GJZGRUSLSA-N 1 0 369.425 2.528 20 5 FFBDRO COc1cccc2c1CC[C@@]2(CO)NCc1cc([N+](=O)[O-])ccc1OC ZINC000880380707 1015821843 /nfs/dbraw/zinc/82/18/43/1015821843.db2.gz WLHQRFWIOFKJLN-IBGZPJMESA-N 1 0 358.394 2.536 20 5 FFBDRO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000808790632 994265959 /nfs/dbraw/zinc/26/59/59/994265959.db2.gz UYVGTYKGKBCSIE-VBNZEHGJSA-N 1 0 365.430 2.616 20 5 FFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC001132395224 994871427 /nfs/dbraw/zinc/87/14/27/994871427.db2.gz WXQLRNGMTCKYEH-UHFFFAOYSA-N 1 0 373.413 2.709 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)OCc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000811448657 995150281 /nfs/dbraw/zinc/15/02/81/995150281.db2.gz XQZPRHYOJHWSJN-KRWDZBQOSA-N 1 0 365.361 2.992 20 5 FFBDRO C[C@H](Nc1ccc([N+](=O)[O-])c2c1CCN(C)C2)[C@H](O)c1cccc(O)c1 ZINC001170677986 995438453 /nfs/dbraw/zinc/43/84/53/995438453.db2.gz DXPRMRYCJRYXNI-BUXKBTBVSA-N 1 0 357.410 2.822 20 5 FFBDRO CC(C)(C)c1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@@H+]1CCCOCC1 ZINC000880709038 1015952046 /nfs/dbraw/zinc/95/20/46/1015952046.db2.gz JSSHPSJUTXYOLJ-UHFFFAOYSA-N 1 0 364.446 2.736 20 5 FFBDRO CCc1ccc([C@@H](CNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)[NH+](C)C)cc1 ZINC000823984566 996772290 /nfs/dbraw/zinc/77/22/90/996772290.db2.gz LKDFGDOSQNRXAB-RTBURBONSA-N 1 0 371.437 2.610 20 5 FFBDRO C[N@@H+]1CCC[C@H](Oc2ccc(I)cc2[N+](=O)[O-])C1 ZINC001229941257 997281852 /nfs/dbraw/zinc/28/18/52/997281852.db2.gz PXCOVOXPNYBGLW-JTQLQIEISA-N 1 0 362.167 2.672 20 5 FFBDRO CN(C(=O)Cc1ccccc1[N+](=O)[O-])c1ccc(OCC[NH+](C)C)cc1 ZINC000732006943 998393470 /nfs/dbraw/zinc/39/34/70/998393470.db2.gz VIVAFIHLGIMPBN-UHFFFAOYSA-N 1 0 357.410 2.741 20 5 FFBDRO Cc1c(C(=O)OC[C@H]2CC[N@@H+]2C(C)(C)C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000845740028 998630930 /nfs/dbraw/zinc/63/09/30/998630930.db2.gz XAKWAPALKRGTDR-OAHLLOKOSA-N 1 0 373.413 2.514 20 5 FFBDRO COc1ccc([C@H]2[C@H](COC(=O)c3cc([N+](=O)[O-])cn3C)CC[N@@H+]2C)cc1 ZINC000741120634 999709596 /nfs/dbraw/zinc/70/95/96/999709596.db2.gz JFJQTYCFIOZLFU-KSSFIOAISA-N 1 0 373.409 2.792 20 5 FFBDRO C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CC[N@@H+]1C ZINC000741724493 999738928 /nfs/dbraw/zinc/73/89/28/999738928.db2.gz MRHRSZXEYXGMSZ-CABCVRRESA-N 1 0 360.458 2.798 20 5 FFBDRO C[NH+](C)CCN(CCc1ccccc1)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000741903547 999747631 /nfs/dbraw/zinc/74/76/31/999747631.db2.gz UHCDBAJGBQLJRW-UHFFFAOYSA-N 1 0 355.438 2.770 20 5 FFBDRO C[C@H](c1ccccc1)[C@H](CO)[NH2+]Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001168995506 1000014066 /nfs/dbraw/zinc/01/40/66/1000014066.db2.gz ONMWBLRSKTYGHL-CJNGLKHVSA-N 1 0 368.393 2.899 20 5 FFBDRO COCCN(C)[C@H](C[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccc(Cl)cc1 ZINC001169008708 1000015001 /nfs/dbraw/zinc/01/50/01/1000015001.db2.gz UGBZKLHGKUJBRN-BMGDILEWSA-N 1 0 369.893 2.994 20 5 FFBDRO CC(C)(C)OC(=O)N1CC[C@H]2CC[N@@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@H]21 ZINC001169010309 1000015254 /nfs/dbraw/zinc/01/52/54/1000015254.db2.gz COSOLORFHOAUDC-ZJIFWQFVSA-N 1 0 353.463 2.763 20 5 FFBDRO CC(C)(C)OC(=O)N1C[C@H]2CC[N@@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@@H]2C1 ZINC001169010582 1000015368 /nfs/dbraw/zinc/01/53/68/1000015368.db2.gz DVBRXITVXODCRJ-FPCVCCKLSA-N 1 0 353.463 2.621 20 5 FFBDRO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](C1)C2C[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168988404 1000015804 /nfs/dbraw/zinc/01/58/04/1000015804.db2.gz RXMFYKSEIYJLCG-LADIWZGKSA-N 1 0 367.490 2.915 20 5 FFBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C2CCN(c3cnc4ccccc4n3)CC2)C1 ZINC001168988186 1000015870 /nfs/dbraw/zinc/01/58/70/1000015870.db2.gz OTZXYPXANCMFHP-GDBMZVCRSA-N 1 0 355.442 2.634 20 5 FFBDRO O=[N+]([O-])C[C@@H]1CC[C@H](N(c2ncnc3ccccc32)C2CC[NH2+]CC2)C1 ZINC001169043779 1000017204 /nfs/dbraw/zinc/01/72/04/1000017204.db2.gz HOQIBWLPMWIFPM-ZBFHGGJFSA-N 1 0 355.442 2.634 20 5 FFBDRO COc1ccc(N2C[C@]3(CC[N@@H+]([C@H]4CC[C@H](C[N+](=O)[O-])C4)C3)CC2=O)cc1 ZINC001169019015 1000017577 /nfs/dbraw/zinc/01/75/77/1000017577.db2.gz GBCSMECDRHFJBD-RIFZZMRRSA-N 1 0 373.453 2.569 20 5 FFBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCCC3(CCN(c4ncccn4)CC3)C2)C1 ZINC001169022267 1000017876 /nfs/dbraw/zinc/01/78/76/1000017876.db2.gz RLRKVYGVOWXDKG-IAGOWNOFSA-N 1 0 359.474 2.604 20 5 FFBDRO Cc1c(Cl)nc(-c2ccc([N+](=O)[O-])cc2)nc1NCC[C@H]1CCC[NH2+]1 ZINC001169563233 1000058919 /nfs/dbraw/zinc/05/89/19/1000058919.db2.gz XTWHYBRNCOBTSI-CYBMUJFWSA-N 1 0 361.833 2.990 20 5 FFBDRO CCOC(=O)c1cc(-n2cc(CC[NH3+])c3ncccc32)ccc1[N+](=O)[O-] ZINC001169709688 1000071350 /nfs/dbraw/zinc/07/13/50/1000071350.db2.gz RCKCVPHMXDUROH-UHFFFAOYSA-N 1 0 354.366 2.612 20 5 FFBDRO Nc1ccc(NCCC[NH+]2CCN(c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000804345617 1000096700 /nfs/dbraw/zinc/09/67/00/1000096700.db2.gz AWAOVRQXLXWGEB-UHFFFAOYSA-N 1 0 355.442 2.801 20 5 FFBDRO Cc1c(C(=O)N(C)CC[NH+]2CCCCC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000846611702 1000392968 /nfs/dbraw/zinc/39/29/68/1000392968.db2.gz GQZHRGNEYNBAQF-UHFFFAOYSA-N 1 0 364.402 2.678 20 5 FFBDRO [NH3+]Cc1ccc2nnn(-c3ccc(OC(F)(F)F)c([N+](=O)[O-])c3)c2c1 ZINC001170024029 1001043268 /nfs/dbraw/zinc/04/32/68/1001043268.db2.gz SKXIIFYIGGQMKK-UHFFFAOYSA-N 1 0 353.260 2.686 20 5 FFBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001148387430 1001130795 /nfs/dbraw/zinc/13/07/95/1001130795.db2.gz CRGSMKCQTNVKAB-LIRRHRJNSA-N 1 0 368.437 2.817 20 5 FFBDRO CC(C)c1n[nH]c(C(=O)NC2CCC([NH+]3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000771545698 1001132372 /nfs/dbraw/zinc/13/23/72/1001132372.db2.gz MHANTFJESFDLES-UHFFFAOYSA-N 1 0 363.462 2.968 20 5 FFBDRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)c1cc([N+](=O)[O-])ccc1F ZINC000772525488 1001416953 /nfs/dbraw/zinc/41/69/53/1001416953.db2.gz JYVUBYYJSHWXDG-UHFFFAOYSA-N 1 0 358.373 2.775 20 5 FFBDRO C[N@H+](CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1(C)CCCC1 ZINC000786219269 1001559092 /nfs/dbraw/zinc/55/90/92/1001559092.db2.gz SJZXWANURWVANW-UHFFFAOYSA-N 1 0 360.458 2.508 20 5 FFBDRO O=C(CC[N@@H+]1CCc2ccccc2C1)OCCOc1cccc([N+](=O)[O-])c1 ZINC000786815788 1001632320 /nfs/dbraw/zinc/63/23/20/1001632320.db2.gz VYOBXPIDKFLULY-UHFFFAOYSA-N 1 0 370.405 2.965 20 5 FFBDRO C[NH+](C)CCOc1ccccc1CNc1ccc([N+](=O)[O-])c2nonc21 ZINC000746719508 1001739557 /nfs/dbraw/zinc/73/95/57/1001739557.db2.gz GSCUMXLVTFTRJK-UHFFFAOYSA-N 1 0 357.370 2.684 20 5 FFBDRO O=C(O[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000788116903 1001756392 /nfs/dbraw/zinc/75/63/92/1001756392.db2.gz LBHBSNCTCDNLNI-JKSUJKDBSA-N 1 0 359.426 2.979 20 5 FFBDRO COc1ccc([C@H](O)C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000788431016 1001799387 /nfs/dbraw/zinc/79/93/87/1001799387.db2.gz RAUJBHSCUUSQRL-YESZJQIVSA-N 1 0 360.414 2.607 20 5 FFBDRO Cc1ccc(C(=O)NCC[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1F ZINC000788517797 1001816843 /nfs/dbraw/zinc/81/68/43/1001816843.db2.gz DVYCDKKGPBPRRV-LBPRGKRZSA-N 1 0 360.389 2.705 20 5 FFBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000774517600 1001965216 /nfs/dbraw/zinc/96/52/16/1001965216.db2.gz HRLSUBALQLBXDY-IJEWVQPXSA-N 1 0 360.458 2.796 20 5 FFBDRO CCNC(=O)C[C@H]1CCCC[N@@H+]1Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000789519591 1002107221 /nfs/dbraw/zinc/10/72/21/1002107221.db2.gz LYDQBZUKRMFEAG-GOSISDBHSA-N 1 0 371.441 2.797 20 5 FFBDRO CN(C[C@@H]1CCC[N@H+](C)C1)c1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-] ZINC001185421512 1002938284 /nfs/dbraw/zinc/93/82/84/1002938284.db2.gz WZAZKUIHOVDYGF-GFCCVEGCSA-N 1 0 359.386 2.829 20 5 FFBDRO COc1ccc(C[C@@H](C)[NH2+]C[C@H](CO)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC001170313286 1003103987 /nfs/dbraw/zinc/10/39/87/1003103987.db2.gz KOOOKCPTABINRW-NVXWUHKLSA-N 1 0 358.438 2.975 20 5 FFBDRO COc1ccc(C[C@@H](C)[NH2+][C@H]2CCCN(c3ncccn3)C2)c([N+](=O)[O-])c1 ZINC001170323833 1003112126 /nfs/dbraw/zinc/11/21/26/1003112126.db2.gz MNGPVLOCFXSMHI-ZBFHGGJFSA-N 1 0 371.441 2.583 20 5 FFBDRO O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000804528348 1003710873 /nfs/dbraw/zinc/71/08/73/1003710873.db2.gz CDHOPHNTQQONPT-UHFFFAOYSA-N 1 0 364.402 2.584 20 5 FFBDRO CCCN(CC[NH+]1CCCCC1)C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000804565621 1003728971 /nfs/dbraw/zinc/72/89/71/1003728971.db2.gz ALSNWDUKLXLOTE-UHFFFAOYSA-N 1 0 373.457 2.669 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)CN(C[C@@]1(O)CC[N@H+](Cc3ccccc3)C1)CC2 ZINC001191521393 1003865057 /nfs/dbraw/zinc/86/50/57/1003865057.db2.gz QFYIIRGPRPUJPJ-NRFANRHFSA-N 1 0 367.449 2.590 20 5 FFBDRO CCCNC(=O)OC[C@@H]1CCCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000805776973 1004129084 /nfs/dbraw/zinc/12/90/84/1004129084.db2.gz XGUHLJNGIOGXGW-IRXDYDNUSA-N 1 0 365.430 2.619 20 5 FFBDRO COc1cc(CN2CCN(c3cc[nH+]cc3)[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC001197367809 1004199330 /nfs/dbraw/zinc/19/93/30/1004199330.db2.gz AXMFCNZLUOFXHN-ZDUSSCGKSA-N 1 0 360.389 2.848 20 5 FFBDRO CCC[N@H+](C)CC(C)(C)NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001192894856 1004312567 /nfs/dbraw/zinc/31/25/67/1004312567.db2.gz DETAAAHTMGRMPN-UHFFFAOYSA-N 1 0 363.867 2.647 20 5 FFBDRO CCOC(=O)C1=C(Nc2cc(Cl)ccc2C=C[N+](=O)[O-])CC[NH2+]C1 ZINC001170521346 1004547260 /nfs/dbraw/zinc/54/72/60/1004547260.db2.gz URMHFBQDYIDBCX-SOFGYWHQSA-N 1 0 351.790 2.810 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001131095272 1004720500 /nfs/dbraw/zinc/72/05/00/1004720500.db2.gz CTOXBIPYRUKPSR-ZDUSSCGKSA-N 1 0 356.426 2.933 20 5 FFBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001170538814 1004727398 /nfs/dbraw/zinc/72/73/98/1004727398.db2.gz WKHXTKRVNSTICE-MRXNPFEDSA-N 1 0 371.462 2.730 20 5 FFBDRO Cc1ccc(C[N@@H+](C)Cc2ccccc2CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001050243640 1016928927 /nfs/dbraw/zinc/92/89/27/1016928927.db2.gz BLGXBDPKWDOJNJ-WOJBJXKFSA-N 1 0 367.449 2.908 20 5 FFBDRO CC[C@H](C)NC(=O)c1cccc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000776276622 1005342680 /nfs/dbraw/zinc/34/26/80/1005342680.db2.gz LDNHSPSLJXXJAL-LIRRHRJNSA-N 1 0 371.437 2.946 20 5 FFBDRO O=C(N[C@H]1CC[C@H](C[NH2+]Cc2ccc3cc[nH]c3c2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001050325384 1016968338 /nfs/dbraw/zinc/96/83/38/1016968338.db2.gz AXZVZNOXYOXGSK-VVHMCBODSA-N 1 0 370.453 2.598 20 5 FFBDRO COC(=O)CC[N@@H+](Cc1ccccc1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776581022 1005961362 /nfs/dbraw/zinc/96/13/62/1005961362.db2.gz CGLKQSRSKTXPPD-SFHVURJKSA-N 1 0 358.394 2.694 20 5 FFBDRO C[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CC(C)(C)NC(=O)OC(C)(C)C ZINC000852306943 1005970180 /nfs/dbraw/zinc/97/01/80/1005970180.db2.gz NIGIFLISDSVKOQ-OAHLLOKOSA-N 1 0 367.446 2.863 20 5 FFBDRO C[C@H]1[C@@H](NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC[N@@H+]1Cc1ccccc1 ZINC000813824385 1006045285 /nfs/dbraw/zinc/04/52/85/1006045285.db2.gz YCAFVTAHLDVJSP-SJCJKPOMSA-N 1 0 372.400 2.709 20 5 FFBDRO C[N@H+](CCc1ccccc1)[C@H]1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000852514275 1006062132 /nfs/dbraw/zinc/06/21/32/1006062132.db2.gz DWGUQWLZYQUOCP-LEWJYISDSA-N 1 0 369.465 2.877 20 5 FFBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CSCC[NH2+]2)nc1OCc1ccccc1 ZINC001187496561 1006117274 /nfs/dbraw/zinc/11/72/74/1006117274.db2.gz HGRYBYKWGDQERY-CQSZACIVSA-N 1 0 360.439 2.686 20 5 FFBDRO CC(C)[C@H]([NH3+])CCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 ZINC000852866036 1006213093 /nfs/dbraw/zinc/21/30/93/1006213093.db2.gz BXSNQXWFHQFYNH-QGZVFWFLSA-N 1 0 362.474 2.934 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[NH2+][C@H](Cc3ccc(F)cc3)C2)c1 ZINC001187931546 1006324814 /nfs/dbraw/zinc/32/48/14/1006324814.db2.gz JLDIBPSGUAXDNA-MRXNPFEDSA-N 1 0 373.384 2.541 20 5 FFBDRO O=[N+]([O-])c1cn(CN2CCC[C@@H]([NH+]3CCCC3)CC2)nc1-c1ccccn1 ZINC000853498161 1006415592 /nfs/dbraw/zinc/41/55/92/1006415592.db2.gz KSQANVKCMQFQAT-MRXNPFEDSA-N 1 0 370.457 2.761 20 5 FFBDRO CC[NH+](CC)[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC(C)C ZINC001188109291 1006415976 /nfs/dbraw/zinc/41/59/76/1006415976.db2.gz HXTGEEPIEOAROS-HNNXBMFYSA-N 1 0 357.476 2.630 20 5 FFBDRO Cc1nn(CN2CC[C@@H](Oc3ccccc3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000853593057 1006466002 /nfs/dbraw/zinc/46/60/02/1006466002.db2.gz DDSLRXSQUCLOKP-MRXNPFEDSA-N 1 0 353.382 2.759 20 5 FFBDRO CC(C)NC(=O)[C@@H]1CCC[N@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000853602184 1006470035 /nfs/dbraw/zinc/47/00/35/1006470035.db2.gz PORMMSASEINZPE-MRXNPFEDSA-N 1 0 371.441 2.652 20 5 FFBDRO O=[N+]([O-])c1cc2ccccc2nc1N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000882726456 1006489730 /nfs/dbraw/zinc/48/97/30/1006489730.db2.gz VCOUZEIZRZCKML-INIZCTEOSA-N 1 0 356.426 2.880 20 5 FFBDRO O=[N+]([O-])c1cccc([N+](=O)[O-])c1NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000853794197 1006538980 /nfs/dbraw/zinc/53/89/80/1006538980.db2.gz FXRLUTFIBORJLY-HNNXBMFYSA-N 1 0 372.381 2.682 20 5 FFBDRO C[C@@H]([NH2+]CCCc1nnc2n1CCCCC2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815574150 1006708083 /nfs/dbraw/zinc/70/80/83/1006708083.db2.gz GHJODFRBPGQHFZ-CYBMUJFWSA-N 1 0 358.446 2.778 20 5 FFBDRO COC[C@]1(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)OCCc2ccccc21 ZINC000815626341 1006719408 /nfs/dbraw/zinc/71/94/08/1006719408.db2.gz BBPBUXFSDGXRFO-VLIAUNLRSA-N 1 0 371.437 2.942 20 5 FFBDRO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3N)cc2)CC1 ZINC001135597388 1007066676 /nfs/dbraw/zinc/06/66/76/1007066676.db2.gz PSRCAZCTBIIXKD-UHFFFAOYSA-N 1 0 369.425 2.571 20 5 FFBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000855202533 1007172512 /nfs/dbraw/zinc/17/25/12/1007172512.db2.gz VZTXYFHDVNFGJF-UTCJRWHESA-N 1 0 373.453 2.615 20 5 FFBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1)C[NH+](C)C ZINC000816832801 1007212637 /nfs/dbraw/zinc/21/26/37/1007212637.db2.gz NNKSTUVMDJTYTA-OAHLLOKOSA-N 1 0 362.474 2.759 20 5 FFBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000884081893 1007223216 /nfs/dbraw/zinc/22/32/16/1007223216.db2.gz NABSHLRDSWBNBH-MRXNPFEDSA-N 1 0 352.394 2.605 20 5 FFBDRO COC1([C@H](C)[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCOCC1 ZINC000817419386 1007594976 /nfs/dbraw/zinc/59/49/76/1007594976.db2.gz GLWDEQOCACHPHI-HNNXBMFYSA-N 1 0 363.458 2.737 20 5 FFBDRO CC[N@H+](C)Cc1cc(O[C@@H]2CCN(c3cc(C)c([N+](=O)[O-])cn3)C2)ccn1 ZINC000856533285 1007873566 /nfs/dbraw/zinc/87/35/66/1007873566.db2.gz COSNCSJZANQMKI-QGZVFWFLSA-N 1 0 371.441 2.803 20 5 FFBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@]1(c3ccccc3)CC[NH2+]C1)CC2 ZINC000818609514 1007966840 /nfs/dbraw/zinc/96/68/40/1007966840.db2.gz SSUCULZAWMAYGS-HXUWFJFHSA-N 1 0 351.406 2.724 20 5 FFBDRO O=C1CCCN1c1cccc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000818955586 1007993345 /nfs/dbraw/zinc/99/33/45/1007993345.db2.gz AUQUYNWZQGBCKT-GOSISDBHSA-N 1 0 355.394 2.545 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@H]2CCN(c3ccc(F)cc3)C2)c1 ZINC000818974352 1008014007 /nfs/dbraw/zinc/01/40/07/1008014007.db2.gz LYVMUGBBBJTXIP-IFXJQAMLSA-N 1 0 359.401 2.883 20 5 FFBDRO CCN(C)c1ccccc1C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000819034211 1008028059 /nfs/dbraw/zinc/02/80/59/1008028059.db2.gz WZTJPFOBJSFMSD-INIZCTEOSA-N 1 0 359.426 2.580 20 5 FFBDRO Cc1ccc(NCCC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)c([N+](=O)[O-])c1 ZINC000819093332 1008032204 /nfs/dbraw/zinc/03/22/04/1008032204.db2.gz NLDKOCMUDHAXQK-SFHVURJKSA-N 1 0 374.397 2.937 20 5 FFBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000819135810 1008039974 /nfs/dbraw/zinc/03/99/74/1008039974.db2.gz FYICECFRKXAFOE-UKRRQHHQSA-N 1 0 367.446 2.782 20 5 FFBDRO Cc1ccc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)c(N2CCOCC2)c1 ZINC000819148117 1008043240 /nfs/dbraw/zinc/04/32/40/1008043240.db2.gz OUTKZOWGUIOONK-FQEVSTJZSA-N 1 0 371.437 2.563 20 5 FFBDRO COc1ccccc1N1CC[C@@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819151903 1008045530 /nfs/dbraw/zinc/04/55/30/1008045530.db2.gz HMQPFXSPYOVNPW-QAPCUYQASA-N 1 0 357.410 2.505 20 5 FFBDRO COc1cccc2[nH]cc(CC[NH2+]C[C@H](O)c3ccc([N+](=O)[O-])cc3)c21 ZINC000819214353 1008074402 /nfs/dbraw/zinc/07/44/02/1008074402.db2.gz PXEXJDROHTUHJV-KRWDZBQOSA-N 1 0 355.394 2.950 20 5 FFBDRO O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000858780384 1008422620 /nfs/dbraw/zinc/42/26/20/1008422620.db2.gz OMPNTRDZAFDGFM-MRXNPFEDSA-N 1 0 358.442 2.916 20 5 FFBDRO O=C(c1cc([N+](=O)[O-])cc2ccccc21)N1CC[NH+](C2CCOCC2)CC1 ZINC000859829887 1008685775 /nfs/dbraw/zinc/68/57/75/1008685775.db2.gz LCKABNNSFLZKSS-UHFFFAOYSA-N 1 0 369.421 2.685 20 5 FFBDRO CC[NH+](CC)[C@@H](CNC(=O)c1cc(C)cc([N+](=O)[O-])c1N)CC(C)C ZINC001136649477 1008837641 /nfs/dbraw/zinc/83/76/41/1008837641.db2.gz UOUAAQBUMFIWBW-CQSZACIVSA-N 1 0 350.463 2.972 20 5 FFBDRO C[C@H]1CN(c2cc[nH+]cc2)CCN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000887130369 1009042899 /nfs/dbraw/zinc/04/28/99/1009042899.db2.gz CCMVEBGTIQMFHB-AWEZNQCLSA-N 1 0 370.409 2.567 20 5 FFBDRO COCC[N@@H+]1CCC[C@H]1COC(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1 ZINC000861037946 1009243946 /nfs/dbraw/zinc/24/39/46/1009243946.db2.gz PNLOAHYEZXPOFU-HNNXBMFYSA-N 1 0 366.414 2.650 20 5 FFBDRO COc1ccc(CN2CC[C@@H]2C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000863576946 1010261022 /nfs/dbraw/zinc/26/10/22/1010261022.db2.gz ZEAPTSDRJUOWFD-QUCCMNQESA-N 1 0 371.437 2.501 20 5 FFBDRO CC[N@H+](C)[C@@H]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 ZINC001181841689 1010278174 /nfs/dbraw/zinc/27/81/74/1010278174.db2.gz WQVUHQVRMPZCDE-SNVBAGLBSA-N 1 0 374.210 2.663 20 5 FFBDRO CC(C)[N@H+](CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CCC1 ZINC000119725394 1010366099 /nfs/dbraw/zinc/36/60/99/1010366099.db2.gz BHMAKWPJLMQAQS-UHFFFAOYSA-N 1 0 360.458 2.506 20 5 FFBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1 ZINC000794589870 1010409755 /nfs/dbraw/zinc/40/97/55/1010409755.db2.gz BUKFSCJKFAHANU-QBUQCISBSA-N 1 0 367.405 2.813 20 5 FFBDRO COc1cc(C[NH2+]C[C@H]2c3ccccc3CN2C)c([N+](=O)[O-])cc1OC ZINC000865807556 1010867580 /nfs/dbraw/zinc/86/75/80/1010867580.db2.gz VJYBYKQXABQLBA-KRWDZBQOSA-N 1 0 357.410 2.888 20 5 FFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCNC(=O)c1ccccc1F ZINC000866238154 1010959058 /nfs/dbraw/zinc/95/90/58/1010959058.db2.gz MUKIHIYTBOWWBK-LBPRGKRZSA-N 1 0 363.364 2.824 20 5 FFBDRO CN(CC[NH+]1CC2(C1)CCOCC2)c1ccnc2cc([N+](=O)[O-])ccc21 ZINC000866256921 1010963411 /nfs/dbraw/zinc/96/34/11/1010963411.db2.gz BWWLTNLONLRLMS-UHFFFAOYSA-N 1 0 356.426 2.692 20 5 FFBDRO C[C@H](C[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)CC1(C)OCCO1 ZINC000866427154 1010992180 /nfs/dbraw/zinc/99/21/80/1010992180.db2.gz IZXNPYYLLVJURJ-WMLDXEAASA-N 1 0 374.441 2.797 20 5 FFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1C[C@H]1C1CCOCC1 ZINC000866538764 1011013460 /nfs/dbraw/zinc/01/34/60/1011013460.db2.gz ZQEBXWGMSASQJQ-YEWWUXTCSA-N 1 0 361.442 2.964 20 5 FFBDRO CCCCNC(=O)[C@@H]1CCC[N@H+](Cn2nc(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000121141755 1011022792 /nfs/dbraw/zinc/02/27/92/1011022792.db2.gz VYQFKHZAZRZEFJ-OAHLLOKOSA-N 1 0 373.457 2.839 20 5 FFBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CC[C@](C)([NH3+])C3)cc2[N+](=O)[O-])C1 ZINC000868076447 1011160104 /nfs/dbraw/zinc/16/01/04/1011160104.db2.gz FVHVANNTFHJYIG-LPMFXHHGSA-N 1 0 360.458 2.640 20 5 FFBDRO C[N@@H+]1C[C@@H](CNC(=O)Cc2cccc(F)c2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000869083295 1011601700 /nfs/dbraw/zinc/60/17/00/1011601700.db2.gz IVTQLFNBBRHZBP-SJORKVTESA-N 1 0 371.412 2.738 20 5 FFBDRO C[NH+](C)CCOc1ccccc1CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000122784807 1011953998 /nfs/dbraw/zinc/95/39/98/1011953998.db2.gz YMLAJPIMWNXSKE-FMIVXFBMSA-N 1 0 369.421 2.865 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@H]1CCCN(c3cnccn3)C1)CC2 ZINC001172900391 1012075804 /nfs/dbraw/zinc/07/58/04/1012075804.db2.gz DDUSYKJLRXCKBH-MSOLQXFVSA-N 1 0 367.453 2.891 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1CC[C@H](Oc3ncc(F)cn3)C1)CC2 ZINC001172913085 1012125040 /nfs/dbraw/zinc/12/50/40/1012125040.db2.gz OTLFKBLWCWFPRJ-WMZOPIPTSA-N 1 0 372.400 2.925 20 5 FFBDRO CC[NH+](CC)C[C@H]1CN([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCO1 ZINC001172913037 1012125062 /nfs/dbraw/zinc/12/50/62/1012125062.db2.gz OMXDXUALYUXCBX-QUCCMNQESA-N 1 0 361.486 2.885 20 5 FFBDRO [NH3+]Cc1ncccc1NC1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173008566 1012177042 /nfs/dbraw/zinc/17/70/42/1012177042.db2.gz BQKSHWIWJIYTJT-UHFFFAOYSA-N 1 0 363.368 2.808 20 5 FFBDRO CC1(C)C[C@@H](C[NH2+]C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)O1 ZINC001173011201 1012182450 /nfs/dbraw/zinc/18/24/50/1012182450.db2.gz UOBQWGPXCZDSGD-ZDUSSCGKSA-N 1 0 355.385 2.999 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH2+][C@@H]3CCCC[C@@H]3O)CC2)c(F)c1 ZINC001173012759 1012183470 /nfs/dbraw/zinc/18/34/70/1012183470.db2.gz ZAFKDQVADUVAMX-CVEARBPZSA-N 1 0 355.385 2.735 20 5 FFBDRO C[C@@H](CN1CCCC1)[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173012510 1012183511 /nfs/dbraw/zinc/18/35/11/1012183511.db2.gz ULKJGNZFEVQVFV-ZDUSSCGKSA-N 1 0 368.428 2.916 20 5 FFBDRO C[N@H+](Cc1cncnc1)C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173018865 1012189575 /nfs/dbraw/zinc/18/95/75/1012189575.db2.gz HSQIEIUTQOGOIM-UHFFFAOYSA-N 1 0 363.368 2.764 20 5 FFBDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)c2cc(F)cc3c2[nH]c2ccc(F)cc2c3=O)C1 ZINC000646954873 1012299470 /nfs/dbraw/zinc/29/94/70/1012299470.db2.gz DIQLZRNJIQEFLV-QWRGUYRKSA-N 1 0 371.387 2.769 20 5 FFBDRO CCOC(=O)CC(C)(C)[NH2+][C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173175938 1012320115 /nfs/dbraw/zinc/32/01/15/1012320115.db2.gz VTFXYPOJTLXXRK-NSHDSACASA-N 1 0 356.394 2.995 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C[C@@H](O)c2ccc(O)cc2)c1F ZINC001173179149 1012320907 /nfs/dbraw/zinc/32/09/07/1012320907.db2.gz NRASWKKLDXPWBJ-MEDUHNTESA-N 1 0 364.373 2.702 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CCN2CCC(F)(F)C2)c1F ZINC001173178213 1012322070 /nfs/dbraw/zinc/32/20/70/1012322070.db2.gz BPBNNZKQJABQND-LLVKDONJSA-N 1 0 361.364 2.604 20 5 FFBDRO CC[N@H+](CCCC(=O)OC)[C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173182007 1012326175 /nfs/dbraw/zinc/32/61/75/1012326175.db2.gz RFAQTMSHDGHVKG-GFCCVEGCSA-N 1 0 356.394 2.949 20 5 FFBDRO COC(=O)[C@H]1CC[C@H]([NH2+][C@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C1 ZINC001173186373 1012329317 /nfs/dbraw/zinc/32/93/17/1012329317.db2.gz RNQIQTYFVVIKNO-WOPDTQHZSA-N 1 0 354.378 2.605 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CC[C@H]([NH+]3CCCC3)C2)c1F ZINC001173189639 1012331436 /nfs/dbraw/zinc/33/14/36/1012331436.db2.gz LLDFNGAHVSUEPY-KGLIPLIRSA-N 1 0 351.422 2.844 20 5 FFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@]2(CCN2c2ncccn2)C1 ZINC001173222942 1012353404 /nfs/dbraw/zinc/35/34/04/1012353404.db2.gz DQNYTBZKAOSCHU-HNAYVOBHSA-N 1 0 353.426 2.671 20 5 FFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@H]2CCN(c3ncccn3)C[C@H]2C1 ZINC001173223847 1012357910 /nfs/dbraw/zinc/35/79/10/1012357910.db2.gz IEZPDWCONSVEDM-JQHSSLGASA-N 1 0 367.453 2.774 20 5 FFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](CO)Cc1ccc(F)cc1F ZINC001173224431 1012358647 /nfs/dbraw/zinc/35/86/47/1012358647.db2.gz FSOITVJEGFNZGR-MLGOLLRUSA-N 1 0 350.365 2.997 20 5 FFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(NC(=O)N2CCCC2)CC1 ZINC001173238120 1012385680 /nfs/dbraw/zinc/38/56/80/1012385680.db2.gz NKDHQIQKLBUTCV-HNNXBMFYSA-N 1 0 360.458 2.796 20 5 FFBDRO CC(C)[NH+]1CCC(CCNC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000870959799 1012651961 /nfs/dbraw/zinc/65/19/61/1012651961.db2.gz WPYPXOKKRQZRRM-UHFFFAOYSA-N 1 0 373.457 2.571 20 5 FFBDRO C[NH+](C)C1(C)CCC(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000871357762 1012882297 /nfs/dbraw/zinc/88/22/97/1012882297.db2.gz SPLISUQQYZGNRF-UHFFFAOYSA-N 1 0 371.441 2.773 20 5 FFBDRO C[C@@H](CCNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)[NH+]1CCCCC1 ZINC000828349638 1032676019 /nfs/dbraw/zinc/67/60/19/1032676019.db2.gz YCHPGCFIAOVGBF-ZDUSSCGKSA-N 1 0 366.437 2.794 20 5 FFBDRO Cn1nnc2c1C[C@H]([NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])CC2 ZINC000927150435 1018380804 /nfs/dbraw/zinc/38/08/04/1018380804.db2.gz LRDGGZSVGHHLOG-IMJJTQAJSA-N 1 0 355.442 2.582 20 5 FFBDRO COc1ccc(OC)c([C@@H](O)C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000801602060 1019161486 /nfs/dbraw/zinc/16/14/86/1019161486.db2.gz UVISJLJOTRZUNT-SFHVURJKSA-N 1 0 360.410 2.820 20 5 FFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](C[C@@H]3CCC[C@H](C(F)(F)F)O3)C2)nc1 ZINC000929989944 1019797212 /nfs/dbraw/zinc/79/72/12/1019797212.db2.gz TYSHQFMLJZIBCS-KWCYVHTRSA-N 1 0 374.363 2.976 20 5 FFBDRO CCOCCNC(=S)C(C(=O)c1cccc([N+](=O)[O-])c1)[n+]1ccccc1 ZINC000725763485 1020253925 /nfs/dbraw/zinc/25/39/25/1020253925.db2.gz VARFWICUVBBESD-UHFFFAOYSA-O 1 0 374.442 2.720 20 5 FFBDRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1=CCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001048525165 1020276274 /nfs/dbraw/zinc/27/62/74/1020276274.db2.gz NWJVARNCBTVMRB-RHQZKXFESA-N 1 0 361.486 2.901 20 5 FFBDRO CC(C)(C)c1ccc(C[N@@H+]2CCC3(CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)C2)cc1 ZINC001072725421 1020294942 /nfs/dbraw/zinc/29/49/42/1020294942.db2.gz MKADLMSEOAOYRW-QZTJIDSGSA-N 1 0 371.481 2.684 20 5 FFBDRO CCOC(=O)N[C@@H]1CCCN(Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000777955052 1020324356 /nfs/dbraw/zinc/32/43/56/1020324356.db2.gz KFZOMIGPIBBYCH-MRXNPFEDSA-N 1 0 373.413 2.626 20 5 FFBDRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NC[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000900738985 1020620936 /nfs/dbraw/zinc/62/09/36/1020620936.db2.gz KZLYRGGIXVLGRX-KDOFPFPSSA-N 1 0 363.458 2.608 20 5 FFBDRO COc1cc([C@H](C)NC2CC[NH+](C[C@@H]3CCOC3)CC2)cc([N+](=O)[O-])c1 ZINC000903098307 1020677180 /nfs/dbraw/zinc/67/71/80/1020677180.db2.gz MXXNFFNYCBVGEA-GJZGRUSLSA-N 1 0 363.458 2.755 20 5 FFBDRO COc1cc([C@@H](C)[NH2+]CCN2C[C@@H]3CCCCN3C2=O)cc([N+](=O)[O-])c1 ZINC000903204869 1020737360 /nfs/dbraw/zinc/73/73/60/1020737360.db2.gz XJLJLVFYICHYSC-HIFRSBDPSA-N 1 0 362.430 2.544 20 5 FFBDRO O=c1ccc2ncc(O[C@@H]3C[NH2+]CCC[C@H]3F)c3c4ccccc4n1c32 ZINC001217984487 1032933788 /nfs/dbraw/zinc/93/37/88/1032933788.db2.gz NANSPHJBPNPWPU-CZUORRHYSA-N 1 0 351.381 2.908 20 5 FFBDRO O=[N+]([O-])c1c(I)cccc1O[C@H]1CCC[NH2+]CC1 ZINC001217997207 1032939381 /nfs/dbraw/zinc/93/93/81/1032939381.db2.gz QRANUIVFFIUCKL-VIFPVBQESA-N 1 0 362.167 2.720 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H](CO)c2ccccc2C(F)(F)F)c1 ZINC000933241520 1020983006 /nfs/dbraw/zinc/98/30/06/1020983006.db2.gz MRRFPAYRPKGRQV-HZPDHXFCSA-N 1 0 370.327 2.970 20 5 FFBDRO C[NH+](C)Cc1cccc(CNC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)c1 ZINC000778225418 1021151122 /nfs/dbraw/zinc/15/11/22/1021151122.db2.gz GGZQQMWOFPNSFQ-UHFFFAOYSA-N 1 0 371.422 2.591 20 5 FFBDRO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC001116507941 1021253461 /nfs/dbraw/zinc/25/34/61/1021253461.db2.gz WAOLZTXNTYFOJA-QWHCGFSZSA-N 1 0 357.357 2.799 20 5 FFBDRO CN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000750116629 1021381009 /nfs/dbraw/zinc/38/10/09/1021381009.db2.gz SLYPZRRFECAFDV-WOJBJXKFSA-N 1 0 355.438 2.835 20 5 FFBDRO C[NH+]1CCC([C@@H]2CCN(C(=O)[C@@H]3C[C@@H]3c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000935087715 1021560742 /nfs/dbraw/zinc/56/07/42/1021560742.db2.gz XGQAAWYNYWMIBH-BHIYHBOVSA-N 1 0 357.454 2.889 20 5 FFBDRO C[C@H](CC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)N(C)C(=O)OC(C)(C)C ZINC001118149625 1022092483 /nfs/dbraw/zinc/09/24/83/1022092483.db2.gz LFBFRYKGGAHUMZ-CZUORRHYSA-N 1 0 367.446 2.863 20 5 FFBDRO COc1cccc(N2CCC([NH2+]C[C@H](O)c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC001118148825 1022092674 /nfs/dbraw/zinc/09/26/74/1022092674.db2.gz XLLMBPXEEOYQCT-FQEVSTJZSA-N 1 0 371.437 2.895 20 5 FFBDRO CC(C)(CNC(=O)c1ccc(N)c([N+](=O)[O-])c1)[N@@H+]1CCc2ccccc2C1 ZINC000043750110 1022264922 /nfs/dbraw/zinc/26/49/22/1022264922.db2.gz HOEDQKDBMQYVMY-UHFFFAOYSA-N 1 0 368.437 2.744 20 5 FFBDRO C[C@@H](CNC(=O)c1ccc2c(c1)CC[NH2+]CC2)c1ccccc1[N+](=O)[O-] ZINC001122267531 1023156551 /nfs/dbraw/zinc/15/65/51/1023156551.db2.gz PIXHZOJIQVNQAN-AWEZNQCLSA-N 1 0 353.422 2.817 20 5 FFBDRO COc1ccc(OCC[N@H+](C)C[C@@]2(O)CCc3ccccc32)c([N+](=O)[O-])c1 ZINC000829338015 1033109836 /nfs/dbraw/zinc/10/98/36/1033109836.db2.gz PHCQVXDYKUCFDB-FQEVSTJZSA-N 1 0 372.421 2.748 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)CCCNc3ccc([N+](=O)[O-])cc3)C[C@H]2C1 ZINC001120100975 1023240455 /nfs/dbraw/zinc/24/04/55/1023240455.db2.gz ZWINUVXRIZYQCV-GPMSIDNRSA-N 1 0 374.485 2.976 20 5 FFBDRO C[N@H+](Cc1ccccc1)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N)C1CC1 ZINC000189961966 1023375769 /nfs/dbraw/zinc/37/57/69/1023375769.db2.gz CLEIPBMAMIHDEB-LJQANCHMSA-N 1 0 368.437 2.817 20 5 FFBDRO C[C@H]1[NH2+]C[C@@H]1Oc1nc2ccc(NC(=O)CN(C)C)cc2c2ccccc21 ZINC001218385187 1033130997 /nfs/dbraw/zinc/13/09/97/1033130997.db2.gz GTLZUGAQKBXSDC-YJYMSZOUSA-N 1 0 364.449 2.627 20 5 FFBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)CC3CC(F)(F)C3)c2)CC1 ZINC001121253605 1023671407 /nfs/dbraw/zinc/67/14/07/1023671407.db2.gz YJXVTIXUAXDRKU-UHFFFAOYSA-N 1 0 368.384 2.721 20 5 FFBDRO O=[N+]([O-])c1c2c(cc(Br)c1O[C@@H]1[C@@H]3CC[C@H]1[NH2+]C3)CCC2 ZINC001218443718 1033158452 /nfs/dbraw/zinc/15/84/52/1033158452.db2.gz BQVVNDOTSGAKKH-GAJTVXKRSA-N 1 0 353.216 2.975 20 5 FFBDRO CCn1c(-c2cc(F)c(C)c([N+](=O)[O-])c2)nnc1N1CC[NH+](C2CC2)CC1 ZINC001121676107 1023920147 /nfs/dbraw/zinc/92/01/47/1023920147.db2.gz RLAOFXKWOBOERE-UHFFFAOYSA-N 1 0 374.420 2.605 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1CCO[C@H]1c1ccccc1 ZINC000191919455 1023939490 /nfs/dbraw/zinc/93/94/90/1023939490.db2.gz GSJDCOFKRMTWLT-MJGOQNOKSA-N 1 0 355.394 2.962 20 5 FFBDRO O=C(c1cnc(CC2CC[NH2+]CC2)s1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001121887500 1024139276 /nfs/dbraw/zinc/13/92/76/1024139276.db2.gz FBBCTOCTYPPCNS-UHFFFAOYSA-N 1 0 372.450 2.749 20 5 FFBDRO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)[C@@H]2C1 ZINC001124025334 1024233129 /nfs/dbraw/zinc/23/31/29/1024233129.db2.gz LHIPJEDIMDSCFM-JNAXZKDPSA-N 1 0 361.445 2.751 20 5 FFBDRO COc1cccc(C(=O)N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000192752156 1024265721 /nfs/dbraw/zinc/26/57/21/1024265721.db2.gz ZEINMMLMDHDSRH-GOEBONIOSA-N 1 0 369.421 2.996 20 5 FFBDRO [NH3+][C@@H](CCNC(=O)CCc1cc(F)ccc1[N+](=O)[O-])Cc1ccccc1 ZINC001122103582 1024341152 /nfs/dbraw/zinc/34/11/52/1024341152.db2.gz OSWGMYIBYBQPOC-KRWDZBQOSA-N 1 0 359.401 2.743 20 5 FFBDRO O=C(N[C@H]1CC2(CC[NH2+]CC2)Oc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC001122138507 1024376346 /nfs/dbraw/zinc/37/63/46/1024376346.db2.gz JGKNVSPCVBSXAV-KRWDZBQOSA-N 1 0 367.405 2.971 20 5 FFBDRO CC(C)[NH2+]C1CCN(c2nnc([C@@H](C)[N+](=O)[O-])n2Cc2ccccc2)CC1 ZINC001122148253 1024383212 /nfs/dbraw/zinc/38/32/12/1024383212.db2.gz IIJCFTZBEGOFMC-OAHLLOKOSA-N 1 0 372.473 2.631 20 5 FFBDRO COc1cc(CC2C[NH+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)C2)cc(OC)c1 ZINC000759068389 1024451246 /nfs/dbraw/zinc/45/12/46/1024451246.db2.gz HPNMHEVDMGIVFA-FQEVSTJZSA-N 1 0 372.421 2.820 20 5 FFBDRO C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(C[N@@H+]2CCC[C@H]2C2CCC2)C1=O ZINC000246014319 1025695094 /nfs/dbraw/zinc/69/50/94/1025695094.db2.gz LHSOAHUWIQPKPZ-LPHOPBHVSA-N 1 0 372.425 2.584 20 5 FFBDRO COc1cc(OCC(=O)OC[C@@H]2CCCC[N@@H+]2C(C)C)ccc1[N+](=O)[O-] ZINC000837472244 1025831482 /nfs/dbraw/zinc/83/14/82/1025831482.db2.gz KCBUNTMACWOEKM-AWEZNQCLSA-N 1 0 366.414 2.788 20 5 FFBDRO CCCc1[nH]nc(C(=O)O[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000837700490 1025971093 /nfs/dbraw/zinc/97/10/93/1025971093.db2.gz UZRZTKBPJQPKQN-CQSZACIVSA-N 1 0 358.398 2.702 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(N(C2CCCC2)C2CC[NH+](C)CC2)n1 ZINC001158493825 1027043889 /nfs/dbraw/zinc/04/38/89/1027043889.db2.gz NGSYPCJLKBURER-UHFFFAOYSA-N 1 0 362.430 2.620 20 5 FFBDRO CCOc1nc(N2CCC3(CC2)[NH2+]Cc2ccccc23)ccc1[N+](=O)[O-] ZINC001159031721 1027238766 /nfs/dbraw/zinc/23/87/66/1027238766.db2.gz LWXGDXOEDWWDAP-UHFFFAOYSA-N 1 0 354.410 2.987 20 5 FFBDRO C[C@H]([NH3+])c1ncc(-c2ccccc2)n1-c1c(Cl)[n+]([O-])ccc1[N+](=O)[O-] ZINC001159596284 1027440288 /nfs/dbraw/zinc/44/02/88/1027440288.db2.gz WSMNKDKHYZXLOV-JTQLQIEISA-N 1 0 359.773 2.754 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])cnc1-n1c2ccccc2c2c1C[C@H]([NH3+])CC2 ZINC001159946895 1027541107 /nfs/dbraw/zinc/54/11/07/1027541107.db2.gz GLEFVKNFVVAAIA-LLVKDONJSA-N 1 0 366.377 2.536 20 5 FFBDRO [NH3+]C[C@H]1COc2ccccc2N1c1ccc(-c2ccccc2[N+](=O)[O-])nn1 ZINC001160200324 1027634741 /nfs/dbraw/zinc/63/47/41/1027634741.db2.gz NBGRZNCHFDCDMD-ZDUSSCGKSA-N 1 0 363.377 2.910 20 5 FFBDRO [NH3+]C[C@]1(Nc2nc3ccccc3c(Cl)c2[N+](=O)[O-])CN2CCC1CC2 ZINC001160512016 1027732814 /nfs/dbraw/zinc/73/28/14/1027732814.db2.gz RJRIVWHJTNRUFB-KRWDZBQOSA-N 1 0 361.833 2.631 20 5 FFBDRO Cc1nn(C[N@@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)c(C)c1[N+](=O)[O-] ZINC000795690963 1027813637 /nfs/dbraw/zinc/81/36/37/1027813637.db2.gz BTNPHBLLINVNRF-KURKYZTESA-N 1 0 356.426 2.870 20 5 FFBDRO CN(Cc1c2ccccc2cc2ccccc21)C(=O)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001160740206 1027846683 /nfs/dbraw/zinc/84/66/83/1027846683.db2.gz YWODZRBRPBCFET-MBSDFSHPSA-N 1 0 359.473 2.903 20 5 FFBDRO CSc1nc(Cl)nc(-n2c(C[NH3+])cc3ccncc32)c1[N+](=O)[O-] ZINC001160959418 1027949731 /nfs/dbraw/zinc/94/97/31/1027949731.db2.gz AASIETYCMFYXQJ-UHFFFAOYSA-N 1 0 350.791 2.558 20 5 FFBDRO C[N@@H+]1CCC[C@@H]1CCNc1nc(C(F)(F)F)nc(Cl)c1[N+](=O)[O-] ZINC001160970347 1027951706 /nfs/dbraw/zinc/95/17/06/1027951706.db2.gz DULMUKZJSOSSFF-SSDOTTSWSA-N 1 0 353.732 2.953 20 5 FFBDRO O=[N+]([O-])c1ccc2nc(NCC3CC[NH+](C4CCOCC4)CC3)cnc2c1 ZINC001161234753 1028084369 /nfs/dbraw/zinc/08/43/69/1028084369.db2.gz YKRNYNXXQQINEJ-UHFFFAOYSA-N 1 0 371.441 2.841 20 5 FFBDRO O=[N+]([O-])c1cnc(NCC2CC[NH+](Cc3ccccn3)CC2)c([N+](=O)[O-])c1 ZINC001161242927 1028091490 /nfs/dbraw/zinc/09/14/90/1028091490.db2.gz JQTUACFQPACTBP-UHFFFAOYSA-N 1 0 372.385 2.617 20 5 FFBDRO CC(C)[C@H](C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)[NH+]1CCCCC1 ZINC001154331942 1028245602 /nfs/dbraw/zinc/24/56/02/1028245602.db2.gz XUGFXGZSPRCOLN-GOSISDBHSA-N 1 0 361.442 2.695 20 5 FFBDRO COc1cccc(C2(Nc3ccc([N+](=O)[O-])c(OC)n3)CC[NH2+]CC2)c1 ZINC001161995217 1028387596 /nfs/dbraw/zinc/38/75/96/1028387596.db2.gz ITRCPEPSJZODRU-UHFFFAOYSA-N 1 0 358.398 2.698 20 5 FFBDRO COc1cccc(C2(Nc3cc(OC)c([N+](=O)[O-])cn3)CC[NH2+]CC2)c1 ZINC001161995649 1028388134 /nfs/dbraw/zinc/38/81/34/1028388134.db2.gz LJRXJQYZHZVABA-UHFFFAOYSA-N 1 0 358.398 2.698 20 5 FFBDRO O=[N+]([O-])c1ccc2ncnc(NCC3(c4cccnc4)CC[NH2+]CC3)c2c1 ZINC001162037267 1028408286 /nfs/dbraw/zinc/40/82/86/1028408286.db2.gz VKOQBVSIOMRKIA-UHFFFAOYSA-N 1 0 364.409 2.666 20 5 FFBDRO [NH3+][C@H]1CC[C@H](N(Cc2ccncc2)c2nc(Cl)ncc2[N+](=O)[O-])CC1 ZINC001162195118 1028466369 /nfs/dbraw/zinc/46/63/69/1028466369.db2.gz KLPFGYVOTYZIJJ-JOCQHMNTSA-N 1 0 362.821 2.710 20 5 FFBDRO [NH3+]Cc1nc2cnccc2n1-c1ccc2c(ccc(Cl)c2[N+](=O)[O-])n1 ZINC001162215452 1028471916 /nfs/dbraw/zinc/47/19/16/1028471916.db2.gz AQKMRTQISFXMRD-UHFFFAOYSA-N 1 0 354.757 2.989 20 5 FFBDRO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N[C@]1(C)CCC[N@H+](C)C1 ZINC001162341330 1028508440 /nfs/dbraw/zinc/50/84/40/1028508440.db2.gz KRAVQBUKVFFNDP-OAHLLOKOSA-N 1 0 356.810 2.716 20 5 FFBDRO COC(=O)COc1c(C)cc(NC[C@@H]2CCC[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC001162470490 1028550065 /nfs/dbraw/zinc/55/00/65/1028550065.db2.gz KZQDKWXZUDKBAU-KGLIPLIRSA-N 1 0 365.430 2.503 20 5 FFBDRO C[C@@H]1C[C@@H](CNc2ncccc2NC(=O)c2ccccc2[N+](=O)[O-])C[NH2+]1 ZINC001162555553 1028579616 /nfs/dbraw/zinc/57/96/16/1028579616.db2.gz USTUSILWCFDEKJ-CHWSQXEVSA-N 1 0 355.398 2.652 20 5 FFBDRO CCOC(=O)c1ccnc(-n2c3ccccc3nc2[C@@H](C)[NH3+])c1[N+](=O)[O-] ZINC001155256574 1028648050 /nfs/dbraw/zinc/64/80/50/1028648050.db2.gz MZHXRPNWQNIHDL-SNVBAGLBSA-N 1 0 355.354 2.525 20 5 FFBDRO CCc1cc(N[C@@]23CCC[C@@H]2[NH2+]CC3)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001155411394 1028724064 /nfs/dbraw/zinc/72/40/64/1028724064.db2.gz ZZLGAMONWZQHNR-QFBILLFUSA-N 1 0 353.426 2.733 20 5 FFBDRO CCOC(=O)c1cc(NCC[C@@H]2C[NH2+]Cc3cccn3C2)ccc1[N+](=O)[O-] ZINC001163063649 1028781785 /nfs/dbraw/zinc/78/17/85/1028781785.db2.gz KGRWBQKQUBALSE-CQSZACIVSA-N 1 0 372.425 2.795 20 5 FFBDRO COc1c([N+](=O)[O-])cc(Cl)c(C)c1NCC[C@@H]1CCOC12C[NH2+]C2 ZINC001163095907 1028794818 /nfs/dbraw/zinc/79/48/18/1028794818.db2.gz YGVVAXHFKDDFMU-LLVKDONJSA-N 1 0 355.822 2.746 20 5 FFBDRO CC(C)(C)OC(=O)c1ccc(NCc2noc3c2C[NH2+]CC3)cc1[N+](=O)[O-] ZINC001163133670 1028818410 /nfs/dbraw/zinc/81/84/10/1028818410.db2.gz BCHQJQWVOQSTNN-UHFFFAOYSA-N 1 0 374.397 2.796 20 5 FFBDRO O=[N+]([O-])c1cc2c(Cl)ncnc2cc1N[C@@H]1CCO[C@@]2(CC[NH2+]C2)C1 ZINC001155618887 1028819895 /nfs/dbraw/zinc/81/98/95/1028819895.db2.gz NDPMIDGKSXFHRL-HWPZZCPQSA-N 1 0 363.805 2.514 20 5 FFBDRO CC[NH+](CC)CC[C@H](CO)Nc1c2cc(Cl)ccc2ncc1[N+](=O)[O-] ZINC001163178874 1028833259 /nfs/dbraw/zinc/83/32/59/1028833259.db2.gz HSYSSGWBBRLXKB-CYBMUJFWSA-N 1 0 366.849 2.723 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])c(N[C@@H]2CC[NH2+][C@H]2c2ccccc2)cc1OC ZINC001163215769 1028842587 /nfs/dbraw/zinc/84/25/87/1028842587.db2.gz RVEKISCFPQZGOY-KDOFPFPSSA-N 1 0 371.393 2.905 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)c(F)cnc2NC[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001163278874 1028870738 /nfs/dbraw/zinc/87/07/38/1028870738.db2.gz KZBGCWMRNOKWSN-KZULUSFZSA-N 1 0 360.389 2.853 20 5 FFBDRO COCC(C)(C)[NH+]1CCN(c2c3cc(OC)ccc3ncc2[N+](=O)[O-])CC1 ZINC001163550432 1028966481 /nfs/dbraw/zinc/96/64/81/1028966481.db2.gz BGHHYTBBAZAEMC-UHFFFAOYSA-N 1 0 374.441 2.699 20 5 FFBDRO COc1ccc2c(c1)c(C1CC[NH2+]CC1)cn2-c1ncc([N+](=O)[O-])cc1N ZINC001156018913 1029015167 /nfs/dbraw/zinc/01/51/67/1029015167.db2.gz LPTMNKJGJKPIFF-UHFFFAOYSA-N 1 0 367.409 2.992 20 5 FFBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1NCc1cccc(C[NH+](C)C)c1 ZINC001156047881 1029027719 /nfs/dbraw/zinc/02/77/19/1029027719.db2.gz JSIZPQCLBCAFLV-UHFFFAOYSA-N 1 0 358.398 2.840 20 5 FFBDRO COc1cc(C)nc(-n2ccc3cc(N4CC[NH2+]CC4)ccc32)c1[N+](=O)[O-] ZINC001156207167 1029090927 /nfs/dbraw/zinc/09/09/27/1029090927.db2.gz SYXKHKAOQADGDF-UHFFFAOYSA-N 1 0 367.409 2.660 20 5 FFBDRO CCOc1cnc(NCc2cccnc2C2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC001163910350 1029111692 /nfs/dbraw/zinc/11/16/92/1029111692.db2.gz YEPQRQPMMFWAHP-UHFFFAOYSA-N 1 0 357.414 2.863 20 5 FFBDRO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1NCC[C@H]1CCC[N@H+](C)C1 ZINC001156381591 1029172880 /nfs/dbraw/zinc/17/28/80/1029172880.db2.gz SILFTAUGCNOTRM-LLVKDONJSA-N 1 0 370.837 2.964 20 5 FFBDRO O=C(Nc1ccccc1Nc1cc[nH+]cc1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC001156431869 1029193619 /nfs/dbraw/zinc/19/36/19/1029193619.db2.gz JMPDLLLTLKAFGL-UHFFFAOYSA-N 1 0 351.322 2.508 20 5 FFBDRO CNC(=O)c1ccc(N2C[C@H]([NH+]3CCCC3)C[C@H]2C(C)C)c([N+](=O)[O-])c1 ZINC001164350864 1029255256 /nfs/dbraw/zinc/25/52/56/1029255256.db2.gz MOPMWGNPOCEBCD-WBVHZDCISA-N 1 0 360.458 2.654 20 5 FFBDRO CN(C)/C=C/c1cc(N2CC[NH2+][C@H](Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC001164612937 1029345459 /nfs/dbraw/zinc/34/54/59/1029345459.db2.gz PVSFQTYFORKIIQ-XSFOEPMVSA-N 1 0 367.453 2.543 20 5 FFBDRO O=[N+]([O-])c1cccc2nc(N3CC[NH+](CCc4ccncc4)CC3)ccc21 ZINC001165059786 1029355903 /nfs/dbraw/zinc/35/59/03/1029355903.db2.gz GZDMFZAPUHTRRQ-UHFFFAOYSA-N 1 0 363.421 2.903 20 5 FFBDRO Cc1nc(Cl)nc(N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C)c1[N+](=O)[O-] ZINC001157166177 1029489433 /nfs/dbraw/zinc/48/94/33/1029489433.db2.gz VOEUFVSIBLXPBX-JTQLQIEISA-N 1 0 373.841 2.598 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2noc([C@@]3(O)CC[N@H+](Cc4ccccc4)C3)n2)cc1 ZINC000782226195 1029616911 /nfs/dbraw/zinc/61/69/11/1029616911.db2.gz HGGCRZKMJJGUOW-LJQANCHMSA-N 1 0 366.377 2.738 20 5 FFBDRO CCOC(=O)c1ccnc(N(CC(C)(C)C)C2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001157892544 1029681098 /nfs/dbraw/zinc/68/10/98/1029681098.db2.gz ZFFYYRJWXZUQCO-UHFFFAOYSA-N 1 0 364.446 2.771 20 5 FFBDRO Cc1ncn(-c2nc(Cl)c(Cl)cc2[N+](=O)[O-])c1CSCC[NH3+] ZINC001157961553 1029693021 /nfs/dbraw/zinc/69/30/21/1029693021.db2.gz GWQVKSIYNBQFCA-UHFFFAOYSA-N 1 0 362.242 2.983 20 5 FFBDRO O=C(CC[N@@H+]1CCC[C@H]1C1CCOCC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000782532231 1029734816 /nfs/dbraw/zinc/73/48/16/1029734816.db2.gz ZTGYDJMNIWGFQS-KRWDZBQOSA-N 1 0 365.405 2.954 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCO[C@H](C[NH+]3CCCC3)C2)nc1-c1ccccc1 ZINC001158314296 1029794485 /nfs/dbraw/zinc/79/44/85/1029794485.db2.gz CMYMHEWSXDJFST-QGZVFWFLSA-N 1 0 368.437 2.958 20 5 FFBDRO C[NH+]1CCC(N(Cc2ccc(F)cc2)c2ccc([N+](=O)[O-])c(N)n2)CC1 ZINC001158449192 1029831824 /nfs/dbraw/zinc/83/18/24/1029831824.db2.gz VSZSJGCKYBWKJO-UHFFFAOYSA-N 1 0 359.405 2.812 20 5 FFBDRO CC(C)Oc1nc(N2CC[NH+](Cc3cccc(N)c3)CC2)ccc1[N+](=O)[O-] ZINC001158481892 1029838180 /nfs/dbraw/zinc/83/81/80/1029838180.db2.gz NRQFVHQIXJRULK-UHFFFAOYSA-N 1 0 371.441 2.681 20 5 FFBDRO COc1cc2ncnc(N3CCCCC34CC[NH2+]CC4)c2cc1[N+](=O)[O-] ZINC001165333890 1029948010 /nfs/dbraw/zinc/94/80/10/1029948010.db2.gz ADRDWLQVAHFAKY-UHFFFAOYSA-N 1 0 357.414 2.659 20 5 FFBDRO CN(C)c1cc(F)c(C(=O)N(C)C(C)(C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000841371056 1030232212 /nfs/dbraw/zinc/23/22/12/1030232212.db2.gz UCDPCEZGZORSBK-UHFFFAOYSA-N 1 0 366.437 2.746 20 5 FFBDRO CCOC(=O)c1cnc(NCC2CC[NH+](C(C)C)CC2)c([N+](=O)[O-])c1 ZINC001166594245 1030451406 /nfs/dbraw/zinc/45/14/06/1030451406.db2.gz NGGFABIHQCACQG-UHFFFAOYSA-N 1 0 350.419 2.699 20 5 FFBDRO COc1nc(SC)nc(NCC2CC[NH+](C(C)C)CC2)c1[N+](=O)[O-] ZINC001166603995 1030454273 /nfs/dbraw/zinc/45/42/73/1030454273.db2.gz PQSODJGEJUUQCZ-UHFFFAOYSA-N 1 0 355.464 2.648 20 5 FFBDRO COc1nc(C)nc(NC[C@H](c2ccccc2)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC001166864628 1030554503 /nfs/dbraw/zinc/55/45/03/1030554503.db2.gz DXNKDFYQPSLOMR-OAHLLOKOSA-N 1 0 357.414 2.951 20 5 FFBDRO O=[N+]([O-])c1cc(NC[C@@H](c2ccccc2)[NH+]2CCCC2)cn2cnnc12 ZINC001166909605 1030572167 /nfs/dbraw/zinc/57/21/67/1030572167.db2.gz FHOIYHMSAYYLQU-KRWDZBQOSA-N 1 0 352.398 2.887 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ncn(C[N@@H+]3CC[C@@H](c4cccnc4)C3)n2)cc1 ZINC000842623025 1030841639 /nfs/dbraw/zinc/84/16/39/1030841639.db2.gz SEEOBWHFOAPZTJ-MRXNPFEDSA-N 1 0 350.382 2.695 20 5 FFBDRO CN(C(=O)[C@@H]1CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1)c1ccccc1 ZINC000797530177 1031144192 /nfs/dbraw/zinc/14/41/92/1031144192.db2.gz PQLFLRLONXYTLZ-VQIMIIECSA-N 1 0 369.421 2.613 20 5 FFBDRO C[C@H](Cc1nc(CCNc2ccccc2[N+](=O)[O-])no1)[C@@H]1CCC[NH2+]C1 ZINC000843185207 1031229818 /nfs/dbraw/zinc/22/98/18/1031229818.db2.gz PXQAKEKFFXCEDL-ZIAGYGMSSA-N 1 0 359.430 2.811 20 5 FFBDRO [NH3+]CCOc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)c1 ZINC000843336150 1031332948 /nfs/dbraw/zinc/33/29/48/1031332948.db2.gz XVAJVPHWHAIEIE-UHFFFAOYSA-N 1 0 370.409 2.785 20 5 FFBDRO O=C(Nc1cnn(C2CC[NH2+]CC2)c1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000843456209 1031412431 /nfs/dbraw/zinc/41/24/31/1031412431.db2.gz FGRUGZFRNQJOQC-UHFFFAOYSA-N 1 0 366.381 2.516 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1cnn(C2CC[NH2+]CC2)c1 ZINC000843458715 1031415882 /nfs/dbraw/zinc/41/58/82/1031415882.db2.gz DRVNOZYKNNNYKX-UHFFFAOYSA-N 1 0 357.414 2.893 20 5 FFBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000843501225 1031430723 /nfs/dbraw/zinc/43/07/23/1031430723.db2.gz KEXXEIPDUKPPID-QGZVFWFLSA-N 1 0 360.458 2.511 20 5 FFBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CC[C@@H](c2ccccn2)C1 ZINC000799192514 1031688710 /nfs/dbraw/zinc/68/87/10/1031688710.db2.gz YVKMPUOKRKOZCV-CQSZACIVSA-N 1 0 368.393 2.777 20 5 FFBDRO CCc1cccc(C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCCCC2)c1 ZINC001115530820 1031788416 /nfs/dbraw/zinc/78/84/16/1031788416.db2.gz SSESXPAMFLEVHI-QZTJIDSGSA-N 1 0 359.470 2.823 20 5 FFBDRO C[C@H]1C[NH2+]C[C@H](CNC(=O)c2ccc3oc4ccccc4c(=O)c3c2)C1 ZINC001219667066 1033739554 /nfs/dbraw/zinc/73/95/54/1033739554.db2.gz SSPWCUOINLUNJO-ZIAGYGMSSA-N 1 0 350.418 2.922 20 5 FFBDRO O=C([C@H]1CCCC[N@@H+]1C1CCCC1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001138247075 1034016381 /nfs/dbraw/zinc/01/63/81/1034016381.db2.gz AOERMUDTRUXGCK-LJQANCHMSA-N 1 0 373.453 2.982 20 5 FFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1 ZINC000831572902 1034129267 /nfs/dbraw/zinc/12/92/67/1034129267.db2.gz XDRXJPKVSMQVLT-JHJVBQTASA-N 1 0 371.359 2.998 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(OC[C@@H]2CCC3(CC[NH+](C)CC3)O2)c([N+](=O)[O-])c1 ZINC001225596037 1034327793 /nfs/dbraw/zinc/32/77/93/1034327793.db2.gz PLMHCZHPCQHWHP-ZDUSSCGKSA-N 1 0 365.386 2.834 20 5 FFBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc(-c2ccccc2)cc1[N+](=O)[O-] ZINC001226386259 1034662461 /nfs/dbraw/zinc/66/24/61/1034662461.db2.gz LNZDQFOEQLOGGP-MRXNPFEDSA-N 1 0 359.402 2.624 20 5 FFBDRO O=[N+]([O-])c1cnc(O[C@H]2COCC[N@H+](Cc3ccccc3)C2)cc1Cl ZINC001226916002 1034882767 /nfs/dbraw/zinc/88/27/67/1034882767.db2.gz VTTKTCGQDVGLNJ-CQSZACIVSA-N 1 0 363.801 2.923 20 5 FFBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N[C@H](CC[NH3+])C(F)F)CC1 ZINC000834825555 1035458430 /nfs/dbraw/zinc/45/84/30/1035458430.db2.gz DGNPIGZDWPNRDW-CQSZACIVSA-N 1 0 370.400 2.543 20 5 FFBDRO C[C@H](C[NH+](C)C)Oc1cc(I)ccc1[N+](=O)[O-] ZINC001229151989 1036526203 /nfs/dbraw/zinc/52/62/03/1036526203.db2.gz KIOSTOKGOFJCGJ-MRVPVSSYSA-N 1 0 350.156 2.528 20 5 FFBDRO O=[N+]([O-])c1ccc(O)c(OC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c1 ZINC001229396219 1036649784 /nfs/dbraw/zinc/64/97/84/1036649784.db2.gz RKOZGCRLPHJWFZ-KRWDZBQOSA-N 1 0 358.394 2.970 20 5 FFBDRO COC(=O)c1cnc(O[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001233856734 1036791437 /nfs/dbraw/zinc/79/14/37/1036791437.db2.gz CFHKFJCLHWGXNU-MRXNPFEDSA-N 1 0 371.393 2.820 20 5 FFBDRO COC(=O)c1cnc(O[C@@H]2CCCN(c3ccc(C)cn3)C2)c([N+](=O)[O-])c1 ZINC001233867092 1036797650 /nfs/dbraw/zinc/79/76/50/1036797650.db2.gz SGZNLUGHBNIYOD-CQSZACIVSA-N 1 0 372.381 2.528 20 5 FFBDRO C[N@@H+]1CCC[C@H](Oc2cccc(I)c2[N+](=O)[O-])C1 ZINC001229656610 1036807127 /nfs/dbraw/zinc/80/71/27/1036807127.db2.gz KBTFRFSZEQHOMX-VIFPVBQESA-N 1 0 362.167 2.672 20 5 FFBDRO O=[N+]([O-])c1cc(I)ccc1O[C@@H]1C[NH+]2CCC1CC2 ZINC001229941533 1036991560 /nfs/dbraw/zinc/99/15/60/1036991560.db2.gz RXEDANNACFNJOY-CYBMUJFWSA-N 1 0 374.178 2.672 20 5 FFBDRO CC(C)c1cc(OC(=O)C[C@@H](O)C[N+](C)(C)C)ccc1Br ZINC001234666736 1037132004 /nfs/dbraw/zinc/13/20/04/1037132004.db2.gz BPBXNOXMBSKQIR-GFCCVEGCSA-N 1 0 359.284 2.935 20 5 FFBDRO COc1c(O[C@@H](C)C[NH+](C)C)c2nccc3c4ccccc4n(c32)c1=O ZINC001234724256 1037156987 /nfs/dbraw/zinc/15/69/87/1037156987.db2.gz ZFKMAXHOTLWKCV-LBPRGKRZSA-N 1 0 351.406 2.776 20 5 FFBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Oc1nc2c[nH]cc([N+](=O)[O-])c-2n1 ZINC001230231510 1037163833 /nfs/dbraw/zinc/16/38/33/1037163833.db2.gz LYADDRWDRRKYJV-LRDDRELGSA-N 1 0 353.382 2.765 20 5 FFBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1c2c(O)cccc2cc2cccc(O)c21 ZINC001230761620 1037347454 /nfs/dbraw/zinc/34/74/54/1037347454.db2.gz VVTASUBFHBGJED-OAHLLOKOSA-O 1 0 370.425 2.767 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)[NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)cc1 ZINC001207473405 1037470843 /nfs/dbraw/zinc/47/08/43/1037470843.db2.gz ABBCMZXPAGNBCR-HNBVOPMISA-N 1 0 356.422 2.915 20 5 FFBDRO COc1cc(N2CCC([NH2+]C3(c4cnn(C)c4)CC3)CC2)ccc1[N+](=O)[O-] ZINC001256087330 1038373525 /nfs/dbraw/zinc/37/35/25/1038373525.db2.gz WYYJNYLAMGQHLE-UHFFFAOYSA-N 1 0 371.441 2.585 20 5 FFBDRO COc1cc(N2CCC([N@@H+]3CCCC[C@](C)(O)C3)CC2)ccc1[N+](=O)[O-] ZINC001256093226 1038379005 /nfs/dbraw/zinc/37/90/05/1038379005.db2.gz IIIMGRMMOHYWMG-IBGZPJMESA-N 1 0 363.458 2.809 20 5 FFBDRO COc1cc(N2CCC([N@@H+]3CCN4CCCC[C@H]4C3)CC2)ccc1[N+](=O)[O-] ZINC001256099173 1038384111 /nfs/dbraw/zinc/38/41/11/1038384111.db2.gz MBILKKXIPNUZML-SFHVURJKSA-N 1 0 374.485 2.742 20 5 FFBDRO COc1cc(N2CCC([N@@H+]3C[C@@H]4CCCC(=O)[C@H]4C3)CC2)ccc1[N+](=O)[O-] ZINC001256103855 1038389223 /nfs/dbraw/zinc/38/92/23/1038389223.db2.gz PKJCJSUDIHNNRO-YOEHRIQHSA-N 1 0 373.453 2.873 20 5 FFBDRO CC[NH+](CC)CC[C@H](C)NC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC001256517401 1038540578 /nfs/dbraw/zinc/54/05/78/1038540578.db2.gz VAURRDLQKPSSST-HNNXBMFYSA-N 1 0 350.463 2.899 20 5 FFBDRO Cc1c(-c2nnc(CC[NH+]3C[C@H](C)O[C@@H](C)C3)o2)cc(F)cc1[N+](=O)[O-] ZINC001258147241 1039228652 /nfs/dbraw/zinc/22/86/52/1039228652.db2.gz XIAAHJCBYSQLAI-QWRGUYRKSA-N 1 0 364.377 2.744 20 5 FFBDRO C[C@H]1C[C@H](NCCCNC(=O)c2c3ccccc3nc3ccccc32)C[NH2+]1 ZINC001246485964 1039368911 /nfs/dbraw/zinc/36/89/11/1039368911.db2.gz XDMIQLRENUWDEE-HOTGVXAUSA-N 1 0 362.477 2.848 20 5 FFBDRO N[C@H]1CC[N@@H+](C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)CC[C@@H]1F ZINC001246572178 1039401220 /nfs/dbraw/zinc/40/12/20/1039401220.db2.gz UVDNNOUDXGLPRA-BBRMVZONSA-N 1 0 372.391 2.603 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CCC[C@@]23CCC[NH2+]C3)c1F ZINC001246609673 1039414438 /nfs/dbraw/zinc/41/44/38/1039414438.db2.gz MMRMEVSYINBMOP-SCLBCKFNSA-N 1 0 351.422 2.892 20 5 FFBDRO Cc1ccc(CNC(=O)N2C[C@]34C[N@@H+](C)C[C@@]3(C2)CCCC4)cc1[N+](=O)[O-] ZINC001254249554 1040642353 /nfs/dbraw/zinc/64/23/53/1040642353.db2.gz SJUQKEOKWXTLBA-BGYRXZFFSA-N 1 0 372.469 2.921 20 5 FFBDRO CCC(=O)N1CCC(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001254470589 1040736802 /nfs/dbraw/zinc/73/68/02/1040736802.db2.gz ZEKQQNRYTRQVSO-UHFFFAOYSA-N 1 0 374.485 2.802 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC(N3CC4(C3)CC[N@H+](CC3CC3)C4)CC2)cc1 ZINC001254473825 1040740980 /nfs/dbraw/zinc/74/09/80/1040740980.db2.gz CCRGHOGKFFNTFU-UHFFFAOYSA-N 1 0 370.497 2.981 20 5 FFBDRO CCC(=O)N[C@@H]1CCC[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254483449 1040749127 /nfs/dbraw/zinc/74/91/27/1040749127.db2.gz UXHNWVDELQXMEN-OAHLLOKOSA-N 1 0 360.458 2.554 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H]2C[C@H](C(=O)NC3CC3)C[C@@H]2C1 ZINC001254556951 1040797933 /nfs/dbraw/zinc/79/79/33/1040797933.db2.gz NYBHOCJQKXSLSL-DZUCGIPZSA-N 1 0 357.454 2.762 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N(c1ncc(F)cn1)C1CC[NH2+]CC1 ZINC001254563837 1040802275 /nfs/dbraw/zinc/80/22/75/1040802275.db2.gz DYCTVSOHZNKTPT-CYBMUJFWSA-N 1 0 359.405 2.714 20 5 FFBDRO COc1cc(C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)cc(OC)c1OC ZINC001254574206 1040810597 /nfs/dbraw/zinc/81/05/97/1040810597.db2.gz GRXXLCMJWXZLEF-HNNXBMFYSA-N 1 0 358.394 2.878 20 5 FFBDRO COC(=O)C[C@@H]([NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1ccc(O)cc1 ZINC001254580626 1040812266 /nfs/dbraw/zinc/81/22/66/1040812266.db2.gz HKXUFMMWUHZLPB-CRAIPNDOSA-N 1 0 356.378 2.662 20 5 FFBDRO C[C@H]([NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC001254581272 1040815031 /nfs/dbraw/zinc/81/50/31/1040815031.db2.gz NMAOJAXZLRUUAJ-LRDDRELGSA-N 1 0 361.442 2.907 20 5 FFBDRO CC(C)[N@@H+]1CCOC[C@@]2(CCCN([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)C1 ZINC001254592720 1040822156 /nfs/dbraw/zinc/82/21/56/1040822156.db2.gz GAANOPWFXBAFGJ-SFTDATJTSA-N 1 0 373.497 2.885 20 5 FFBDRO CC(C)(C)OC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@H]21 ZINC001254595674 1040824543 /nfs/dbraw/zinc/82/45/43/1040824543.db2.gz XXSSWIDLHLTGIE-MWDXBVQZSA-N 1 0 359.426 2.517 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CC[C@@]3(C[C@H](OCC4CC4)CO3)C1)C2 ZINC001254599924 1040829955 /nfs/dbraw/zinc/82/99/55/1040829955.db2.gz MVANZBUKBBWDBR-HSALFYBXSA-N 1 0 358.438 2.722 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H](n1nc(C(F)(F)F)c3c1C[NH2+]CC3)C2 ZINC001254608916 1040837030 /nfs/dbraw/zinc/83/70/30/1040837030.db2.gz TXIOEOOGJZDMER-LBPRGKRZSA-N 1 0 352.316 2.796 20 5 FFBDRO COc1ccc(N([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C2CC[NH2+]CC2)nc1 ZINC001254611820 1040841455 /nfs/dbraw/zinc/84/14/55/1040841455.db2.gz UBBIBNNFLXKSOH-GOSISDBHSA-N 1 0 368.437 2.724 20 5 FFBDRO CC(=O)N1CCN(c2cc[nH+]cc2Nc2ccc(C)cc2[N+](=O)[O-])CC1 ZINC001214169402 1041287310 /nfs/dbraw/zinc/28/73/10/1041287310.db2.gz KSCLPQRMWVRTPO-UHFFFAOYSA-N 1 0 355.398 2.710 20 5 FFBDRO CC(C)c1ccc(C(=O)N2CCC3(CO[C@H](C[NH3+])C3)CC2)cc1[N+](=O)[O-] ZINC001263210083 1042174489 /nfs/dbraw/zinc/17/44/89/1042174489.db2.gz AQHYLRPUQKTPPP-HNNXBMFYSA-N 1 0 361.442 2.688 20 5 FFBDRO COc1ccc(NC(=O)NC2CCC(C)([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC001263630018 1042408361 /nfs/dbraw/zinc/40/83/61/1042408361.db2.gz XYISBZGXBUUNTC-UHFFFAOYSA-N 1 0 350.419 2.988 20 5 FFBDRO C[C@H]1CCC[N@@H+]1CCNC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001313368333 1044332909 /nfs/dbraw/zinc/33/29/09/1044332909.db2.gz DUWSDVNIYIFZJB-DOTOQJQBSA-N 1 0 360.458 2.968 20 5 FFBDRO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC001318648758 1044789176 /nfs/dbraw/zinc/78/91/76/1044789176.db2.gz LPDOWGDJCJGRSX-KBPBESRZSA-N 1 0 370.247 2.960 20 5 FFBDRO C[N@@H+]1CC[C@H](NC(=O)CNc2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(F)cc1 ZINC001319485172 1045168424 /nfs/dbraw/zinc/16/84/24/1045168424.db2.gz LVSGIQFSJCEXFZ-LPHOPBHVSA-N 1 0 372.400 2.707 20 5 FFBDRO CS[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2Br)C[C@@H]1[NH+](C)C ZINC001320533533 1045424989 /nfs/dbraw/zinc/42/49/89/1045424989.db2.gz MCDMGVCPGOKASQ-UONOGXRCSA-N 1 0 374.304 2.835 20 5 FFBDRO CCN(CC[NH2+]Cc1cc(Cl)cc(Cl)c1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001320734581 1045458395 /nfs/dbraw/zinc/45/83/95/1045458395.db2.gz KSBFUQJFAPUOLW-ZIAGYGMSSA-N 1 0 360.241 2.597 20 5 FFBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2Br)C1 ZINC001320760968 1045462540 /nfs/dbraw/zinc/46/25/40/1045462540.db2.gz NBQXYEOIGYKCMR-NSHDSACASA-N 1 0 370.247 2.819 20 5 FFBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@@H](CO)CC1CCOCC1)C1CC1 ZINC001320863125 1045484352 /nfs/dbraw/zinc/48/43/52/1045484352.db2.gz NCPNGYDLMITYEV-LPHOPBHVSA-N 1 0 362.470 2.931 20 5 FFBDRO COc1ccc(CC(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)cc1[N+](=O)[O-] ZINC001539647563 1070673629 /nfs/dbraw/zinc/67/36/29/1070673629.db2.gz ZMJCEBXXSUAPRA-INIZCTEOSA-N 1 0 361.442 2.527 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(C[NH2+][C@@]2(CO)CCOC2)o1 ZINC001323843538 1045746983 /nfs/dbraw/zinc/74/69/83/1045746983.db2.gz CVEBCURCMJAPTC-MRXNPFEDSA-N 1 0 352.774 2.749 20 5 FFBDRO Cc1cncc([N+](=O)[O-])c1NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC001324375287 1045995521 /nfs/dbraw/zinc/99/55/21/1045995521.db2.gz OZYDJIWEEPROOX-UHFFFAOYSA-N 1 0 356.426 2.805 20 5 FFBDRO Nc1c(C(=O)OCC[NH+]2CCCCC2)cc(Br)cc1[N+](=O)[O-] ZINC001322640353 1046160935 /nfs/dbraw/zinc/16/09/35/1046160935.db2.gz ROCHPVJXHZILMX-UHFFFAOYSA-N 1 0 372.219 2.582 20 5 FFBDRO CC[N@@H+]1CCC[C@H](CN[C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C1 ZINC001325874433 1046671218 /nfs/dbraw/zinc/67/12/18/1046671218.db2.gz PSSGMDGXGFYNIE-QAPCUYQASA-N 1 0 357.458 2.739 20 5 FFBDRO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1Br ZINC001326343981 1046886465 /nfs/dbraw/zinc/88/64/65/1046886465.db2.gz OTFNSBXFWDKKSJ-VXGBXAGGSA-N 1 0 370.247 2.960 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)n1 ZINC001540452377 1070892967 /nfs/dbraw/zinc/89/29/67/1070892967.db2.gz FYPPEDMBQGYONV-SFHVURJKSA-N 1 0 354.410 2.865 20 5 FFBDRO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001540453660 1070893669 /nfs/dbraw/zinc/89/36/69/1070893669.db2.gz BFJLAODPKZAEMS-LBPRGKRZSA-N 1 0 363.805 2.538 20 5 FFBDRO Cc1nn(CCO)c(C)c1C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001327952294 1048106678 /nfs/dbraw/zinc/10/66/78/1048106678.db2.gz PEKIDXLMFYUACU-QGZVFWFLSA-N 1 0 358.442 2.780 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)NCCc3cccc([N+](=O)[O-])c3)C[C@H]2C1 ZINC001334216101 1049316106 /nfs/dbraw/zinc/31/61/06/1049316106.db2.gz XBRJCJVZJMEHDH-GVDBMIGSSA-N 1 0 360.458 2.509 20 5 FFBDRO COc1cccc([C@H]2C[NH2+]CCN2C(=O)c2cccc([N+](=O)[O-])c2C)c1 ZINC001330951511 1049408209 /nfs/dbraw/zinc/40/82/09/1049408209.db2.gz TYSFPJDLAQRNJN-GOSISDBHSA-N 1 0 355.394 2.699 20 5 FFBDRO CSc1ccc(C(=O)N2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC001341713137 1050334081 /nfs/dbraw/zinc/33/40/81/1050334081.db2.gz XUGUDSYEKCGWJA-VHSXEESVSA-N 1 0 363.361 2.668 20 5 FFBDRO [NH3+]C[C@H]1CCCC12CCN(C(=O)CCOc1ccccc1[N+](=O)[O-])CC2 ZINC001342079790 1050675938 /nfs/dbraw/zinc/67/59/38/1050675938.db2.gz MEJSHQLZEJGKLO-OAHLLOKOSA-N 1 0 361.442 2.731 20 5 FFBDRO C[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cccc(Oc2ccccc2)c1 ZINC001492250632 1050716809 /nfs/dbraw/zinc/71/68/09/1050716809.db2.gz ZEEJCXAGCRVRIY-RTBURBONSA-N 1 0 369.421 2.692 20 5 FFBDRO O=C(NC[C@H]1CCCCC[NH2+]1)c1cc(F)cc([N+](=O)[O-])c1Br ZINC001342205511 1050798382 /nfs/dbraw/zinc/79/83/82/1050798382.db2.gz LKVFXMKWUKXYTC-SNVBAGLBSA-N 1 0 374.210 2.758 20 5 FFBDRO [NH3+][C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C[C@H]1c1ccccc1F ZINC001340482447 1050877422 /nfs/dbraw/zinc/87/74/22/1050877422.db2.gz FMQMSRHXFUMPLY-VUHPKUFZSA-N 1 0 369.396 2.791 20 5 FFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@H]1CSCC[NH2+]1 ZINC001340525595 1050917273 /nfs/dbraw/zinc/91/72/73/1050917273.db2.gz JDFOURNWRQVYIE-NSHDSACASA-N 1 0 355.485 2.532 20 5 FFBDRO C[NH+](C)[C@H]1C[C@H](NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C12CCC2 ZINC001301546119 1050917598 /nfs/dbraw/zinc/91/75/98/1050917598.db2.gz JHWUJMWBXHYEFR-KBPBESRZSA-N 1 0 369.368 2.799 20 5 FFBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC001542262188 1071198907 /nfs/dbraw/zinc/19/89/07/1071198907.db2.gz DBZXEBCSJJZMBW-MCIONIFRSA-N 1 0 351.422 2.759 20 5 FFBDRO [NH3+]C[C@@H]1Cc2ccccc2N(C(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC001340797107 1051142678 /nfs/dbraw/zinc/14/26/78/1051142678.db2.gz USQUPEWRUAEBBN-KKXDTOCCSA-N 1 0 351.406 2.863 20 5 FFBDRO C[C@@H](CNC(=O)[C@@]1(c2ccccc2)CC[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC001342946029 1051559942 /nfs/dbraw/zinc/55/99/42/1051559942.db2.gz YTVMDSZZACIHFD-YWZLYKJASA-N 1 0 353.422 2.746 20 5 FFBDRO Cc1nnc(N(C)Cc2ccccc2[N+](=O)[O-])n1CC(C)(C)C[NH+](C)C ZINC001304794838 1051701696 /nfs/dbraw/zinc/70/16/96/1051701696.db2.gz PXLJJKJPQBQAMP-UHFFFAOYSA-N 1 0 360.462 2.719 20 5 FFBDRO O=C(OC[C@@H]1CC[N@@H+]1C1CCOCC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001344932867 1052143064 /nfs/dbraw/zinc/14/30/64/1052143064.db2.gz WLRXLHLWLDSJSA-ZDUSSCGKSA-N 1 0 354.790 2.658 20 5 FFBDRO C[N@@H+]1CC[C@@H]2CN(Cc3c(Br)cccc3[N+](=O)[O-])C[C@@H]2C1 ZINC001307987302 1052376751 /nfs/dbraw/zinc/37/67/51/1052376751.db2.gz IRJLVEZKKAZNJC-NEPJUHHUSA-N 1 0 354.248 2.741 20 5 FFBDRO O=C(NCC[C@H]1CCC[NH2+]CC1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001343766529 1052408624 /nfs/dbraw/zinc/40/86/24/1052408624.db2.gz ZBMWHBOUJYLPJL-INIZCTEOSA-N 1 0 374.485 2.707 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H]1Cc1ccnn1C ZINC001308171012 1052425164 /nfs/dbraw/zinc/42/51/64/1052425164.db2.gz RHNGMGMZTJTBPX-INIZCTEOSA-N 1 0 371.441 2.672 20 5 FFBDRO COC[C@@H]([NH2+]Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)c1ccccc1 ZINC001308334006 1052447281 /nfs/dbraw/zinc/44/72/81/1052447281.db2.gz BQRFCBCVYREOST-MRXNPFEDSA-N 1 0 374.393 2.624 20 5 FFBDRO O=C(Cn1c2ccccc2c(=O)c2ccccc21)NC[C@@H]1CCCCC[NH2+]1 ZINC001345537368 1052497443 /nfs/dbraw/zinc/49/74/43/1052497443.db2.gz UJLXUUWLGURNAO-INIZCTEOSA-N 1 0 363.461 2.803 20 5 FFBDRO Cc1ccc(S(=O)(=O)NCC[C@H](C)[NH+]2CCCCC2)c(C)c1[N+](=O)[O-] ZINC001309393672 1052611060 /nfs/dbraw/zinc/61/10/60/1052611060.db2.gz KRQVQHHDHXMUQP-AWEZNQCLSA-N 1 0 369.487 2.754 20 5 FFBDRO C[NH+](C)Cc1ccccc1CNC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC001542937390 1071340523 /nfs/dbraw/zinc/34/05/23/1071340523.db2.gz PALZTILUYRNAQO-UHFFFAOYSA-N 1 0 362.817 2.822 20 5 FFBDRO Cn1ncc([N+](=O)[O-])c1N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC001335442049 1053366376 /nfs/dbraw/zinc/36/63/76/1053366376.db2.gz VTHHSUALZFKUSH-IAGOWNOFSA-N 1 0 355.442 2.819 20 5 FFBDRO O=[N+]([O-])c1ccc(C(F)(F)F)cc1N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC001335856954 1053604151 /nfs/dbraw/zinc/60/41/51/1053604151.db2.gz ODOKAVOBKVQFCS-UHFFFAOYSA-N 1 0 373.375 2.945 20 5 FFBDRO O=C(N[C@@H]1C[NH+]2CCC1CC2)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC001347290576 1053800839 /nfs/dbraw/zinc/80/08/39/1053800839.db2.gz HCWQVNZJKIDENH-SNVBAGLBSA-N 1 0 362.188 2.865 20 5 FFBDRO O=C(NC[C@]12CCC[C@H]1[NH2+]CC2)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001336941357 1054353800 /nfs/dbraw/zinc/35/38/00/1054353800.db2.gz ICHIVBISDMARGQ-IEBWSBKVSA-N 1 0 358.442 2.801 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)CCOc3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC001337907113 1055094815 /nfs/dbraw/zinc/09/48/15/1055094815.db2.gz KJZFSGYARXTGCC-OWCLPIDISA-N 1 0 361.442 2.552 20 5 FFBDRO COC(=O)/C=C\c1ccc(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)o1 ZINC000848877486 1055286790 /nfs/dbraw/zinc/28/67/90/1055286790.db2.gz SDUDRQYJNHUHEW-HJWRWDBZSA-N 1 0 371.393 2.696 20 5 FFBDRO O=[N+]([O-])c1cccc2c(N3CCC[C@@H]([NH2+]C4CCOCC4)C3)ccnc21 ZINC001349774157 1055462798 /nfs/dbraw/zinc/46/27/98/1055462798.db2.gz PQGXGSTZXHAGQA-OAHLLOKOSA-N 1 0 356.426 2.880 20 5 FFBDRO CCn1c([C@H](C)[N+](=O)[O-])nnc1N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001356351145 1055468182 /nfs/dbraw/zinc/46/81/82/1055468182.db2.gz IOHXSDSUZVOODC-DOTOQJQBSA-N 1 0 372.473 2.594 20 5 FFBDRO CCC1([NH+]2CCCC2)CCN(c2nnc(-c3ccc([N+](=O)[O-])o3)n2C)CC1 ZINC001338831765 1055854844 /nfs/dbraw/zinc/85/48/44/1055854844.db2.gz ATVXETQKIYICIH-UHFFFAOYSA-N 1 0 374.445 2.828 20 5 FFBDRO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC001357629267 1055968412 /nfs/dbraw/zinc/96/84/12/1055968412.db2.gz HLJIBCJSXWMLEQ-KZNAEPCWSA-N 1 0 357.454 2.935 20 5 FFBDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001544111624 1071596838 /nfs/dbraw/zinc/59/68/38/1071596838.db2.gz DWTYNCINIFEIAT-UHFFFAOYSA-N 1 0 356.426 2.947 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)NC[C@]23CCC[C@H]2[NH2+]CC3)cc1SC ZINC001358204133 1056191934 /nfs/dbraw/zinc/19/19/34/1056191934.db2.gz NXIYABJAZYQQEI-NVXWUHKLSA-N 1 0 365.455 2.587 20 5 FFBDRO C[C@H]1C[NH+](CCCCNc2ncnc3ccc([N+](=O)[O-])cc32)C[C@H](C)O1 ZINC000611709969 1056448116 /nfs/dbraw/zinc/44/81/16/1056448116.db2.gz XJLICQQMXPHXRU-KBPBESRZSA-N 1 0 359.430 2.839 20 5 FFBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC001353644418 1056606622 /nfs/dbraw/zinc/60/66/22/1056606622.db2.gz BKQBBOIUXHPUSI-INIZCTEOSA-N 1 0 357.435 2.934 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)CSc3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC001518467508 1058391831 /nfs/dbraw/zinc/39/18/31/1058391831.db2.gz KAKYSSGWFIDNKN-QLFBSQMISA-N 1 0 363.483 2.876 20 5 FFBDRO CS[C@H]1CN(C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1[NH+](C)C ZINC001447106527 1058598692 /nfs/dbraw/zinc/59/86/92/1058598692.db2.gz QGGRMZQFFBYNOO-GJZGRUSLSA-N 1 0 371.890 2.685 20 5 FFBDRO CN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H](C1CC1)[NH+](C)C)C1CC1 ZINC001503379947 1059015410 /nfs/dbraw/zinc/01/54/10/1059015410.db2.gz OAJLWKACBHAUMR-KRWDZBQOSA-N 1 0 370.457 2.792 20 5 FFBDRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3cc(C)cc([N+](=O)[O-])c3)n2C)C1 ZINC001519957327 1059245861 /nfs/dbraw/zinc/24/58/61/1059245861.db2.gz PBRXCWGZRUGODT-OAHLLOKOSA-N 1 0 372.473 2.867 20 5 FFBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001454588269 1059578047 /nfs/dbraw/zinc/57/80/47/1059578047.db2.gz SJQLAHGIYNVJAW-OAHLLOKOSA-N 1 0 371.462 2.973 20 5 FFBDRO CCN(C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1CCC[NH2+]C1 ZINC001515858999 1059849739 /nfs/dbraw/zinc/84/97/39/1059849739.db2.gz IQVPSVPUPGHLDO-AWEZNQCLSA-N 1 0 360.439 2.932 20 5 FFBDRO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001455679664 1059863861 /nfs/dbraw/zinc/86/38/61/1059863861.db2.gz TWCCIUMYNIMVLD-QGZVFWFLSA-N 1 0 373.457 2.640 20 5 FFBDRO Cc1sccc1C(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001355079791 1059866570 /nfs/dbraw/zinc/86/65/70/1059866570.db2.gz BRFCHEKNBOMKND-UHFFFAOYSA-N 1 0 360.439 2.969 20 5 FFBDRO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])[C@@H]2C1 ZINC001355171862 1059955162 /nfs/dbraw/zinc/95/51/62/1059955162.db2.gz PQAVPINKEJSZLQ-BIMULSAOSA-N 1 0 357.332 2.684 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[N@@H+](C)C[C@H]2CC(C)C)c1 ZINC001456222378 1060055174 /nfs/dbraw/zinc/05/51/74/1060055174.db2.gz REPLSXUBWRSALB-MRXNPFEDSA-N 1 0 363.458 2.861 20 5 FFBDRO COC(=O)[C@@H]1CC12CC[NH+](Cn1cc(-c3ccccc3[N+](=O)[O-])cn1)CC2 ZINC000848478123 1060100690 /nfs/dbraw/zinc/10/06/90/1060100690.db2.gz BTGVTKBPNKQGKH-INIZCTEOSA-N 1 0 370.409 2.691 20 5 FFBDRO O=C1[C@H](c2ccc([N+](=O)[O-])cc2)CCN1CN1CCC([C@H]2CCCO2)CC1 ZINC000848485531 1060131368 /nfs/dbraw/zinc/13/13/68/1060131368.db2.gz PHVVTIJODGEMOD-RBUKOAKNSA-N 1 0 373.453 2.759 20 5 FFBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000848486967 1060132866 /nfs/dbraw/zinc/13/28/66/1060132866.db2.gz OWSPWWJQKHJXHI-CRAIPNDOSA-N 1 0 355.442 2.974 20 5 FFBDRO C[C@@H](Cn1c(CC2CC2)nnc1N(C)Cc1ccccc1[N+](=O)[O-])[NH+](C)C ZINC001510058520 1060164586 /nfs/dbraw/zinc/16/45/86/1060164586.db2.gz GOXKVPHFFPZELT-AWEZNQCLSA-N 1 0 372.473 2.725 20 5 FFBDRO Cn1cc([N+](=O)[O-])c(N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)n1 ZINC001458239178 1060546671 /nfs/dbraw/zinc/54/66/71/1060546671.db2.gz NCHDSTUFJRADAP-IAGOWNOFSA-N 1 0 355.442 2.819 20 5 FFBDRO COc1ccc(NC(=O)N2CCC(C)(C)[NH2+]C(C)(C)C2)cc1[N+](=O)[O-] ZINC001517600110 1060564646 /nfs/dbraw/zinc/56/46/46/1060564646.db2.gz WIUHFJHJTKMCDH-UHFFFAOYSA-N 1 0 350.419 2.988 20 5 FFBDRO C[C@@H]1CN(c2c3cc([N+](=O)[O-])ccc3ncc2[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC001458407530 1060584848 /nfs/dbraw/zinc/58/48/48/1060584848.db2.gz ODVLATVKELANFT-LBPRGKRZSA-N 1 0 371.397 2.972 20 5 FFBDRO CC[NH+](CC)CC[C@H](Nc1nccc(C(N)=O)c1[N+](=O)[O-])c1ccccc1 ZINC001458698076 1060650689 /nfs/dbraw/zinc/65/06/89/1060650689.db2.gz HVVNXSVXYXRCLE-INIZCTEOSA-N 1 0 371.441 2.974 20 5 FFBDRO COc1cccc(C[C@H]2CN(c3ccc(C(C)=O)cc3[N+](=O)[O-])CC[NH2+]2)c1 ZINC001458726199 1060654584 /nfs/dbraw/zinc/65/45/84/1060654584.db2.gz PKSZQGUCEYOYJM-KRWDZBQOSA-N 1 0 369.421 2.827 20 5 FFBDRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC001460039689 1060880324 /nfs/dbraw/zinc/88/03/24/1060880324.db2.gz NZIOKPAHDJBDQH-CQSZACIVSA-N 1 0 369.849 2.960 20 5 FFBDRO CCOc1cc(N2CC[NH+](CC[C@H](O)C(C)C)CC2)ccc1[N+](=O)[O-] ZINC001460042724 1060883075 /nfs/dbraw/zinc/88/30/75/1060883075.db2.gz ALOCPZCGKWZVDC-KRWDZBQOSA-N 1 0 351.447 2.523 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+]C(C)(C)[C@H]1CCCCO1 ZINC001460658457 1061049786 /nfs/dbraw/zinc/04/97/86/1061049786.db2.gz BECHANBAFROODT-MRXNPFEDSA-N 1 0 365.430 2.869 20 5 FFBDRO C[N@H+](Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)[C@@H]1CCC[C@H]1O ZINC001460797494 1061106802 /nfs/dbraw/zinc/10/68/02/1061106802.db2.gz XXCKCONTDIOOFT-DGCLKSJQSA-N 1 0 352.778 2.643 20 5 FFBDRO CN(C)C(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC001461214700 1061253311 /nfs/dbraw/zinc/25/33/11/1061253311.db2.gz FCJCBMOXIVCVOT-DGCLKSJQSA-N 1 0 371.384 2.933 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](C)C[C@H](O)CNC(=O)OC(C)(C)C ZINC001462254029 1061556013 /nfs/dbraw/zinc/55/60/13/1061556013.db2.gz DRVPVBGMSMIXHN-CQSZACIVSA-N 1 0 367.446 2.529 20 5 FFBDRO C[C@H]1CCC[C@@H]1NC(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001477129995 1061592882 /nfs/dbraw/zinc/59/28/82/1061592882.db2.gz AGOBHMCLMPOZDL-ZFWWWQNUSA-N 1 0 361.446 2.657 20 5 FFBDRO Cc1cc(C)c(S(=O)(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)cc1[N+](=O)[O-] ZINC001463658008 1062202009 /nfs/dbraw/zinc/20/20/09/1062202009.db2.gz VCOPAEGGULTUTF-MRXNPFEDSA-N 1 0 369.487 2.610 20 5 FFBDRO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC001522911536 1062325238 /nfs/dbraw/zinc/32/52/38/1062325238.db2.gz HUUBCNXJGNSJHW-NVXWUHKLSA-N 1 0 351.834 2.829 20 5 FFBDRO CC[NH+]1CCN(c2cc(N(C)C(=O)[C@@H](C)C3CC3)cc([N+](=O)[O-])c2)CC1 ZINC001438313418 1062983853 /nfs/dbraw/zinc/98/38/53/1062983853.db2.gz CEBOCHCBYSJWNI-AWEZNQCLSA-N 1 0 360.458 2.746 20 5 FFBDRO Cc1noc2ncc(NC(=O)c3ccc([N+](=O)[O-])c(-n4ccnc4)c3)cc12 ZINC001532538033 1063110010 /nfs/dbraw/zinc/11/00/10/1063110010.db2.gz FQFBFKXYOXKILD-UHFFFAOYSA-N 1 0 364.321 2.877 20 5 FFBDRO CC(C)[NH+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2[C@H]2C[C@@H]2C)CC1 ZINC001493367446 1063143309 /nfs/dbraw/zinc/14/33/09/1063143309.db2.gz PEYORZXQKQSCSF-YOEHRIQHSA-N 1 0 370.457 2.965 20 5 FFBDRO C[C@@H]1C[NH+](CCCNC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC001440828716 1063361083 /nfs/dbraw/zinc/36/10/83/1063361083.db2.gz RSUPPUWNVUCVIW-GHMZBOCLSA-N 1 0 373.812 2.616 20 5 FFBDRO C[C@H]1CCC[N@@H+]1CCNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001470054103 1064250404 /nfs/dbraw/zinc/25/04/04/1064250404.db2.gz WBUTXXVPGURFEM-NSHDSACASA-N 1 0 374.363 2.897 20 5 FFBDRO CCO[C@H](CNc1c2cccc(Cl)c2ncc1[N+](=O)[O-])C[NH+](C)C ZINC001472873472 1065164836 /nfs/dbraw/zinc/16/48/36/1065164836.db2.gz BDRMVNWZMNASKM-LLVKDONJSA-N 1 0 352.822 2.597 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[NH2+][C@H](c2ccccc2)C1 ZINC001472883091 1065166925 /nfs/dbraw/zinc/16/69/25/1065166925.db2.gz FFROWZNUBYKTHI-INIZCTEOSA-N 1 0 355.394 2.841 20 5 FFBDRO C[C@H](Cc1cccc(F)c1)N(C)C(=O)[C@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC001576052459 1078190183 /nfs/dbraw/zinc/19/01/83/1078190183.db2.gz JPVCFTDQZMJBBX-BFUOFWGJSA-N 1 0 359.401 2.997 20 5 FFBDRO C[C@](CO)([NH2+]CCCOc1ccc2c(c1)OCO2)c1cccc([N+](=O)[O-])c1 ZINC001473714554 1065329647 /nfs/dbraw/zinc/32/96/47/1065329647.db2.gz UMBNZWNFXLIPFH-LJQANCHMSA-N 1 0 374.393 2.590 20 5 FFBDRO C[C@@H]([NH3+])c1ccc(CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)cc1 ZINC001576166220 1078201210 /nfs/dbraw/zinc/20/12/10/1078201210.db2.gz WJPZIYWDAWALGN-CYBMUJFWSA-N 1 0 352.394 2.886 20 5 FFBDRO CC(C)[C@@H]1C[C@H]([NH+]2CCCC2)CN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001473877773 1065402709 /nfs/dbraw/zinc/40/27/09/1065402709.db2.gz QLPONLKIUGTSOT-YJBOKZPZSA-N 1 0 360.458 2.728 20 5 FFBDRO O=C(C[NH2+]C1([C@H]2CCCO2)CCC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC001473888002 1065407925 /nfs/dbraw/zinc/40/79/25/1065407925.db2.gz BXDHSWMAFVTOCT-CQSZACIVSA-N 1 0 353.806 2.878 20 5 FFBDRO COc1ccc(C[NH2+][C@H]2C[C@H](C)N(c3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC001474025254 1065442075 /nfs/dbraw/zinc/44/20/75/1065442075.db2.gz YPBWYYBJUIACGU-BBRMVZONSA-N 1 0 355.394 2.887 20 5 FFBDRO CN(c1ccccc1)c1ccc(C[NH2+][C@H](CO)[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC001474094109 1065455702 /nfs/dbraw/zinc/45/57/02/1065455702.db2.gz GMNTVZKDPCSEAI-SJLPKXTDSA-N 1 0 371.437 2.850 20 5 FFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1CN1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC001474372732 1065506386 /nfs/dbraw/zinc/50/63/86/1065506386.db2.gz NNAYIAVDGRCIKM-GOEBONIOSA-N 1 0 373.375 2.645 20 5 FFBDRO C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC001474544320 1065547242 /nfs/dbraw/zinc/54/72/42/1065547242.db2.gz NVVOZHSWUJOCPX-IYXRBSQSSA-N 1 0 367.450 2.778 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@H]3OCc4ccccc43)CC2)cn1 ZINC001474751019 1065596719 /nfs/dbraw/zinc/59/67/19/1065596719.db2.gz GQIXPHODWVWTQE-GOSISDBHSA-N 1 0 354.410 2.820 20 5 FFBDRO C[C@@H]1[NH2+]C[C@H](C)N(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])[C@H]1C ZINC001576878707 1078284316 /nfs/dbraw/zinc/28/43/16/1078284316.db2.gz IUDGKPMDXDWOOP-SRVKXCTJSA-N 1 0 355.822 2.614 20 5 FFBDRO CC[NH2+]CCn1c(C2CCC2)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001577865332 1078409273 /nfs/dbraw/zinc/40/92/73/1078409273.db2.gz KGGYLAMTSLGZLT-UHFFFAOYSA-N 1 0 370.457 2.626 20 5 FFBDRO CCOc1cc(NC(=O)NCc2ccc(CC[NH3+])cc2)ccc1[N+](=O)[O-] ZINC001578170646 1078446615 /nfs/dbraw/zinc/44/66/15/1078446615.db2.gz QYHVNDVCNGYPQV-UHFFFAOYSA-N 1 0 358.398 2.816 20 5 FFBDRO CCc1ccccc1[C@H]([NH3+])CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC001578275635 1078458208 /nfs/dbraw/zinc/45/82/08/1078458208.db2.gz TVXYCUUJTGXYOS-QGZVFWFLSA-N 1 0 356.426 2.653 20 5 FFBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C1(CC)CC ZINC001578334707 1078465573 /nfs/dbraw/zinc/46/55/73/1078465573.db2.gz KMKUIINQQYUETQ-HZPDHXFCSA-N 1 0 374.445 2.848 20 5 FFBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@H]1C[NH2+]CCC12CCC2 ZINC001578485635 1078479642 /nfs/dbraw/zinc/47/96/42/1078479642.db2.gz MTTBIXKDGUTAGM-CQSZACIVSA-N 1 0 351.834 2.986 20 5 FFBDRO C[NH2+]CCCN(C)C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC001578687548 1078517409 /nfs/dbraw/zinc/51/74/09/1078517409.db2.gz XRNPHMVNVXTNIS-UHFFFAOYSA-N 1 0 356.426 2.888 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(CN2CCCc3cccc(C[NH3+])c32)c1 ZINC001578873507 1078537984 /nfs/dbraw/zinc/53/79/84/1078537984.db2.gz BWASSRZJQVYKNV-UHFFFAOYSA-N 1 0 355.394 2.793 20 5 FFBDRO COCC[NH2+]C1CCN(c2cccc(Br)c2[N+](=O)[O-])CC1 ZINC001579040180 1078566430 /nfs/dbraw/zinc/56/64/30/1078566430.db2.gz KWCZPHAIKJKNLM-UHFFFAOYSA-N 1 0 358.236 2.562 20 5 FFBDRO COc1ccc([C@@H]2CN(C(=O)[C@@H](C)c3cccc([N+](=O)[O-])c3)C[C@H]2[NH3+])cc1 ZINC001579238768 1078598192 /nfs/dbraw/zinc/59/81/92/1078598192.db2.gz AAJNCRJQWTUMOJ-FASAQXTFSA-N 1 0 369.421 2.660 20 5 FFBDRO [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N[C@H](c2cccc([N+](=O)[O-])c2F)C(F)(F)F)C1 ZINC001580401939 1078797680 /nfs/dbraw/zinc/79/76/80/1078797680.db2.gz GJMBUMGAANMFNW-PWLJWKHCSA-N 1 0 361.295 2.581 20 5 FFBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CCC2(CC[NH2+]CC2)CC1 ZINC001580578509 1078829072 /nfs/dbraw/zinc/82/90/72/1078829072.db2.gz HFNHDWDUQBUFDT-UHFFFAOYSA-N 1 0 356.426 2.542 20 5 FFBDRO C[C@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC001585777753 1079499905 /nfs/dbraw/zinc/49/99/05/1079499905.db2.gz YDZMRRDJJTYACN-NVXWUHKLSA-N 1 0 362.474 2.976 20 5 FFBDRO Cc1c(C(=O)N2CCC(C)(C)[NH2+]C(C)(C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001558840952 1076086934 /nfs/dbraw/zinc/08/69/34/1076086934.db2.gz JCHQDGGTIBNNIS-UHFFFAOYSA-N 1 0 364.402 2.804 20 5 FFBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)Nc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC001559080730 1076123555 /nfs/dbraw/zinc/12/35/55/1076123555.db2.gz SFLVBJFRNGERJM-KBPBESRZSA-N 1 0 358.442 2.979 20 5 FFBDRO COCCC[N@H+](C)CCNc1c2cc(Cl)ccc2ncc1[N+](=O)[O-] ZINC001559122922 1076127414 /nfs/dbraw/zinc/12/74/14/1076127414.db2.gz VRGCFXDJVNYIOS-UHFFFAOYSA-N 1 0 352.822 2.599 20 5 FFBDRO COc1ccc2ncc([N+](=O)[O-])c(NCCCCc3cc[nH+]c(N)c3)c2c1 ZINC001559290203 1076146669 /nfs/dbraw/zinc/14/66/69/1076146669.db2.gz IICYIMUYRZINJP-UHFFFAOYSA-N 1 0 367.409 2.986 20 5 FFBDRO CS[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2Br)C[C@@H]1[NH+](C)C ZINC001559719297 1076185769 /nfs/dbraw/zinc/18/57/69/1076185769.db2.gz BAHKTAARCHZBIR-KBPBESRZSA-N 1 0 374.304 2.835 20 5 FFBDRO C[C@H]1COCC[C@H]1[NH2+]Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001559746902 1076187904 /nfs/dbraw/zinc/18/79/04/1076187904.db2.gz NAEHVJLIQMCLTN-JOYOIKCWSA-N 1 0 352.778 2.813 20 5 FFBDRO C[C@@](CO)([NH2+]CCc1nc(-c2ccccc2)no1)c1cccc([N+](=O)[O-])c1 ZINC001560066247 1076220802 /nfs/dbraw/zinc/22/08/02/1076220802.db2.gz NLGPBIWYJUMMQA-IBGZPJMESA-N 1 0 368.393 2.685 20 5 FFBDRO CC[C@@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)[C@@H]1CCCOC1 ZINC001560097570 1076226505 /nfs/dbraw/zinc/22/65/05/1076226505.db2.gz HTRKKXRDBDNNEV-UKRRQHHQSA-N 1 0 365.430 2.727 20 5 FFBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)C[C@@H]1CCN1C(=O)OC(C)(C)C ZINC001560177266 1076242057 /nfs/dbraw/zinc/24/20/57/1076242057.db2.gz QUSBMDPJCYTMCH-HNNXBMFYSA-N 1 0 365.430 2.915 20 5 FFBDRO CC[NH+]1CCC(N(C)C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)CC1 ZINC001563109319 1076518938 /nfs/dbraw/zinc/51/89/38/1076518938.db2.gz CVVUGKSRJPGZBX-UHFFFAOYSA-N 1 0 355.826 2.778 20 5 FFBDRO Cc1ccc(CNC(=O)N2CCN(c3cc[nH+]cc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC001565214089 1076698504 /nfs/dbraw/zinc/69/85/04/1076698504.db2.gz KCDRIHGVMBHJNG-HNNXBMFYSA-N 1 0 369.425 2.719 20 5 FFBDRO Nc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001587500416 1079801262 /nfs/dbraw/zinc/80/12/62/1079801262.db2.gz SGWQRRWYLGGZPW-QGZVFWFLSA-N 1 0 368.437 2.962 20 5 FFBDRO CC(C)C[N@@H+]1CCC[C@@H](CNc2cc(-c3nn[nH]n3)ccc2[N+](=O)[O-])C1 ZINC001589629850 1080642666 /nfs/dbraw/zinc/64/26/66/1080642666.db2.gz KHORDCGHAAJGJO-ZDUSSCGKSA-N 1 0 359.434 2.555 20 5 FFBDRO C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)c1ccccc1[N+](=O)[O-] ZINC001589871398 1080819975 /nfs/dbraw/zinc/81/99/75/1080819975.db2.gz WKUXBPFNUZCZQH-NSHDSACASA-N 1 0 356.361 2.807 20 5 FFBDRO C[C@H](Nc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])[C@H](c1ccccc1)[NH+](C)C ZINC001589982329 1080920016 /nfs/dbraw/zinc/92/00/16/1080920016.db2.gz NCUZVKIEXRNVGW-YVEFUNNKSA-N 1 0 367.413 2.878 20 5 FFBDRO Cc1c(C(=O)NCCC2CC[NH+](C)CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000102640202 250117254 /nfs/dbraw/zinc/11/72/54/250117254.db2.gz YNUPZEYEBCOSEL-UHFFFAOYSA-N 1 0 364.402 2.582 20 5 FFBDRO C[NH+](C)CCCOc1ccc(CNC(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000103126807 250137178 /nfs/dbraw/zinc/13/71/78/250137178.db2.gz GIKWAFOJNSOIOA-UHFFFAOYSA-N 1 0 357.410 2.855 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N(C)CC2CC[NH+](C)CC2)cc1SC ZINC000103450383 250151146 /nfs/dbraw/zinc/15/11/46/250151146.db2.gz RNEZXVJHYWLPFY-UHFFFAOYSA-N 1 0 367.471 2.739 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)c1C ZINC000106891510 250296990 /nfs/dbraw/zinc/29/69/90/250296990.db2.gz KOOANLQVTZBLJU-AWEZNQCLSA-N 1 0 367.471 2.507 20 5 FFBDRO Cc1sc(C(=O)N(CC[NH+](C)C)Cc2cccc(O)c2)cc1[N+](=O)[O-] ZINC000153497451 251145358 /nfs/dbraw/zinc/14/53/58/251145358.db2.gz ZFBZCOSKXQEKKO-UHFFFAOYSA-N 1 0 363.439 2.874 20 5 FFBDRO CC[C@](C)([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1nccs1 ZINC000173515747 251197179 /nfs/dbraw/zinc/19/71/79/251197179.db2.gz CFBCHQRINPLTSK-CJNGLKHVSA-N 1 0 351.428 2.706 20 5 FFBDRO O=C(CN1CC[C@@H]([NH+]2CCCCC2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000264640847 251331301 /nfs/dbraw/zinc/33/13/01/251331301.db2.gz VRKJFQBDSPGTTB-CQSZACIVSA-N 1 0 366.849 2.747 20 5 FFBDRO C[NH+]1CCC([C@H]2CCN(C(=O)CCCNc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000270278121 251509447 /nfs/dbraw/zinc/50/94/47/251509447.db2.gz UWWCTEXSZANBJG-KRWDZBQOSA-N 1 0 374.485 2.977 20 5 FFBDRO COc1cc(C[NH2+]CCOCC2CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272419386 252035015 /nfs/dbraw/zinc/03/50/15/252035015.db2.gz LRTNBCXHSRDNIB-UHFFFAOYSA-N 1 0 360.357 2.764 20 5 FFBDRO CC(C)C[NH+]1CCC(NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000272539764 252063224 /nfs/dbraw/zinc/06/32/24/252063224.db2.gz NOJYOQQNXRZVRN-UHFFFAOYSA-N 1 0 355.385 2.923 20 5 FFBDRO C[C@H]1CCC[N@H+](CCN[C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000272576460 252073087 /nfs/dbraw/zinc/07/30/87/252073087.db2.gz XGPLEQZJHZAMMJ-MAUKXSAKSA-N 1 0 357.458 2.739 20 5 FFBDRO C[C@@H](Cc1ccccc1F)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000272974454 252180114 /nfs/dbraw/zinc/18/01/14/252180114.db2.gz WQMHQEPLLJGBTR-ZDUSSCGKSA-N 1 0 366.414 2.728 20 5 FFBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000273324863 252280900 /nfs/dbraw/zinc/28/09/00/252280900.db2.gz QRPDFIZLKQIMFN-JQIJEIRASA-N 1 0 373.453 2.759 20 5 FFBDRO CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c(C)s2)C[C@H]1[NH+]1CCCC1 ZINC000273490609 252315849 /nfs/dbraw/zinc/31/58/49/252315849.db2.gz KONYRQAVZZRYEZ-OCCSQVGLSA-N 1 0 355.485 2.617 20 5 FFBDRO CS[C@H]1CN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@H]1[NH+]1CCCC1 ZINC000273526911 252325068 /nfs/dbraw/zinc/32/50/68/252325068.db2.gz QKNBYHSUWVVQOJ-SJORKVTESA-N 1 0 374.466 2.728 20 5 FFBDRO CC1(C)[C@@H](C(F)(F)F)CC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000276321320 256089697 /nfs/dbraw/zinc/08/96/97/256089697.db2.gz YWDCUSAQWDWDJM-FZMZJTMJSA-N 1 0 362.348 2.997 20 5 FFBDRO C[C@@H](CO)[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CCCC1 ZINC000276448921 256101041 /nfs/dbraw/zinc/10/10/41/256101041.db2.gz MQBRTDSLCIJDFQ-NSHDSACASA-N 1 0 355.822 2.812 20 5 FFBDRO CCOC(=O)c1n[nH]c(C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3C)CC2)n1 ZINC000278714309 256340606 /nfs/dbraw/zinc/34/06/06/256340606.db2.gz OURWBVZWRSMOJC-UHFFFAOYSA-N 1 0 373.413 2.578 20 5 FFBDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1c1nc2ccccc2cc1[N+](=O)[O-] ZINC000278836472 256352895 /nfs/dbraw/zinc/35/28/95/256352895.db2.gz VPMSVSANUSSOKS-AWEZNQCLSA-N 1 0 356.426 2.833 20 5 FFBDRO O=C(c1ccccc1[N+](=O)[O-])N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000279688483 256441401 /nfs/dbraw/zinc/44/14/01/256441401.db2.gz NICBCOLNZPGTFS-CALCHBBNSA-N 1 0 351.406 2.799 20 5 FFBDRO CC(=O)c1cc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)ccc1[N+](=O)[O-] ZINC000286075394 257018885 /nfs/dbraw/zinc/01/88/85/257018885.db2.gz CMELAHJAXWTFHQ-UHFFFAOYSA-N 1 0 374.485 2.792 20 5 FFBDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1CCO)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000286261632 257028121 /nfs/dbraw/zinc/02/81/21/257028121.db2.gz STFUFWYPCMGJMP-MISXGVKJSA-N 1 0 355.822 2.716 20 5 FFBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1c1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000286285097 257029210 /nfs/dbraw/zinc/02/92/10/257029210.db2.gz IJZDKMSTEYKOKN-BBRMVZONSA-N 1 0 358.442 2.550 20 5 FFBDRO O=[N+]([O-])c1ccc2oc(CN3CC[C@@H](C(F)(F)F)[C@H](CO)C3)nc2c1 ZINC000286609200 257045325 /nfs/dbraw/zinc/04/53/25/257045325.db2.gz RMFWOAHTZISPCF-GXSJLCMTSA-N 1 0 359.304 2.729 20 5 FFBDRO C[NH+](C)CCCC1CCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC1 ZINC000286670286 257048741 /nfs/dbraw/zinc/04/87/41/257048741.db2.gz YVPPCVIHBBJRPP-UHFFFAOYSA-N 1 0 359.430 2.802 20 5 FFBDRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000286718730 257051357 /nfs/dbraw/zinc/05/13/57/257051357.db2.gz OVENGXJSCQUQBF-UHFFFAOYSA-N 1 0 374.441 2.894 20 5 FFBDRO CC[NH+]1CCC(CCNC(=O)N(C)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000287172170 257075610 /nfs/dbraw/zinc/07/56/10/257075610.db2.gz SRBRPKLIUMBXPN-UHFFFAOYSA-N 1 0 362.474 2.901 20 5 FFBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000287222342 257078376 /nfs/dbraw/zinc/07/83/76/257078376.db2.gz QGURHYJOKBWVQF-RHSMWYFYSA-N 1 0 356.426 2.635 20 5 FFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]Cc1ncccc1N(C)C ZINC000289756481 257297310 /nfs/dbraw/zinc/29/73/10/257297310.db2.gz LIPXTRXUZHZUDI-ZDUSSCGKSA-N 1 0 357.414 2.563 20 5 FFBDRO COc1cc(CN(C)CC[NH+](C)C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000289777622 257298699 /nfs/dbraw/zinc/29/86/99/257298699.db2.gz KYUGTSFTBHHFLR-UHFFFAOYSA-N 1 0 365.352 2.538 20 5 FFBDRO COc1cc(C[NH2+]C[C@@]2(CO)C[C@H]2c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000289785419 257299224 /nfs/dbraw/zinc/29/92/24/257299224.db2.gz JUWRLOVZRDFBOU-OXJNMPFZSA-N 1 0 372.421 2.868 20 5 FFBDRO O=C(CC[N@@H+]1CC[C@H](n2cc(Cl)cn2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000289790248 257299466 /nfs/dbraw/zinc/29/94/66/257299466.db2.gz HSOFHAYNGPALPY-ZDUSSCGKSA-N 1 0 363.805 2.720 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCCn3cc(CO)nn3)s2)cc1 ZINC000289803087 257300445 /nfs/dbraw/zinc/30/04/45/257300445.db2.gz LBZRWZAPAACXPS-UHFFFAOYSA-N 1 0 373.438 2.587 20 5 FFBDRO CC[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCOC(C)(C)C1 ZINC000289889417 257305083 /nfs/dbraw/zinc/30/50/83/257305083.db2.gz RVWXQYINTWCUKC-CVEARBPZSA-N 1 0 352.431 2.614 20 5 FFBDRO CC[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCOC(C)(C)C1 ZINC000289944441 257307736 /nfs/dbraw/zinc/30/77/36/257307736.db2.gz VQNGXYQNMCMPRL-HUUCEWRRSA-N 1 0 352.431 2.614 20 5 FFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000290180876 257319293 /nfs/dbraw/zinc/31/92/93/257319293.db2.gz PPIWCKROECYHMF-DZGCQCFKSA-N 1 0 363.483 2.924 20 5 FFBDRO Cc1cc(C(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)cc([N+](=O)[O-])c1 ZINC000297139155 257793008 /nfs/dbraw/zinc/79/30/08/257793008.db2.gz IAXXQENVVNEHQT-MSOLQXFVSA-N 1 0 357.385 2.999 20 5 FFBDRO COC(=O)Cc1ccc(N2CC[C@H](C[NH+]3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000297202294 257800775 /nfs/dbraw/zinc/80/07/75/257800775.db2.gz RLVRPNXWGBYGJV-MRXNPFEDSA-N 1 0 361.442 2.623 20 5 FFBDRO Cn1ccnc1C(=O)c1ccc(N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c([N+](=O)[O-])c1 ZINC000301231497 258035370 /nfs/dbraw/zinc/03/53/70/258035370.db2.gz FRJWWFZECXLSDQ-HOTGVXAUSA-N 1 0 369.425 2.598 20 5 FFBDRO O=C(c1cc(N2CCC[C@H]([NH+]3CCCC3)C2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000301233510 258035826 /nfs/dbraw/zinc/03/58/26/258035826.db2.gz GMBXAWZVQQCUSE-KRWDZBQOSA-N 1 0 372.469 2.895 20 5 FFBDRO Cc1nn(C)c(Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)c1[N+](=O)[O-] ZINC000301304839 258041435 /nfs/dbraw/zinc/04/14/35/258041435.db2.gz XKSGDTZNLTYBGL-UHFFFAOYSA-N 1 0 370.457 2.912 20 5 FFBDRO COc1cccc([C@@H]2[C@@H](Nc3ncc([N+](=O)[O-])cn3)CC[N@@H+]2C2CC2)c1 ZINC000302236935 258096966 /nfs/dbraw/zinc/09/69/66/258096966.db2.gz WAFGPRSILACMEN-DLBZAZTESA-N 1 0 355.398 2.783 20 5 FFBDRO Cc1nn(C)c(N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000312058465 258115613 /nfs/dbraw/zinc/11/56/13/258115613.db2.gz GSQSCKPGJXWNCR-DLBZAZTESA-N 1 0 355.442 2.595 20 5 FFBDRO CC[C@H]1CN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC[N@@H+]1C[C@@H](C)O ZINC000301428784 258049368 /nfs/dbraw/zinc/04/93/68/258049368.db2.gz FEGREVFYOMLCKL-NEPJUHHUSA-N 1 0 361.364 2.895 20 5 FFBDRO Cc1nc(N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000301626806 258059439 /nfs/dbraw/zinc/05/94/39/258059439.db2.gz HOSXESOOAGFMTL-QGZVFWFLSA-N 1 0 355.442 2.699 20 5 FFBDRO CC[NH+]1CCN([C@H](C)CNc2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000301667345 258061792 /nfs/dbraw/zinc/06/17/92/258061792.db2.gz METTZUVLRFIOPB-GFCCVEGCSA-N 1 0 371.279 2.795 20 5 FFBDRO C[C@@H]1CCCC[N@@H+]1CCCCNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000301703868 258063873 /nfs/dbraw/zinc/06/38/73/258063873.db2.gz URWCLHHFNSLDID-CYBMUJFWSA-N 1 0 362.430 2.992 20 5 FFBDRO O=[N+]([O-])c1cnc2ccc(NC[C@@H](c3ccco3)[NH+]3CCCCC3)nn21 ZINC000301822797 258069651 /nfs/dbraw/zinc/06/96/51/258069651.db2.gz CFJVNJKALBJRJI-ZDUSSCGKSA-N 1 0 356.386 2.870 20 5 FFBDRO O=[N+]([O-])c1cnc2ccc(N[C@H](C[NH+]3CCCC3)c3ccccc3)nn21 ZINC000301840490 258070234 /nfs/dbraw/zinc/07/02/34/258070234.db2.gz OXOIOALHIPSLOR-OAHLLOKOSA-N 1 0 352.398 2.887 20 5 FFBDRO CC1(C)CC(Nc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])CC(C)(C)[NH2+]1 ZINC000301867118 258071776 /nfs/dbraw/zinc/07/17/76/258071776.db2.gz DPWUDQKEKQYNBN-UHFFFAOYSA-N 1 0 355.460 2.719 20 5 FFBDRO CS[C@@H]1CN(C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)C[C@@H]1[NH+](C)C ZINC000331079781 258176774 /nfs/dbraw/zinc/17/67/74/258176774.db2.gz YKMPXSKXLUWNON-LSDHHAIUSA-N 1 0 352.460 2.721 20 5 FFBDRO CC(C)c1n[nH]c(C(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000331209919 258179593 /nfs/dbraw/zinc/17/95/93/258179593.db2.gz HFQAXMDKMSQPPR-BETUJISGSA-N 1 0 365.478 2.928 20 5 FFBDRO CC[NH+](CC)CC1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000331260314 258180568 /nfs/dbraw/zinc/18/05/68/258180568.db2.gz JZBBHVYHVGBCAK-UHFFFAOYSA-N 1 0 369.487 2.646 20 5 FFBDRO COc1ccc(CN2C[C@@H](SC)[C@@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000332073141 258212788 /nfs/dbraw/zinc/21/27/88/258212788.db2.gz DMVTZKCTITVIBN-DOTOQJQBSA-N 1 0 351.472 2.615 20 5 FFBDRO COc1ccc(CN2C[C@H](SC)[C@@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000332073415 258212820 /nfs/dbraw/zinc/21/28/20/258212820.db2.gz DMVTZKCTITVIBN-RDJZCZTQSA-N 1 0 351.472 2.615 20 5 FFBDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCOc1cc(C)ccc1[N+](=O)[O-] ZINC000332088244 258213660 /nfs/dbraw/zinc/21/36/60/258213660.db2.gz JWPLJCBOSSBOOI-HZPDHXFCSA-N 1 0 361.442 2.757 20 5 FFBDRO CC(C)[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000332121568 258214900 /nfs/dbraw/zinc/21/49/00/258214900.db2.gz AFSDKPFZQWYSDC-IBGZPJMESA-N 1 0 374.485 2.616 20 5 FFBDRO O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CC[NH+](C2CCCC2)CC1 ZINC000332424732 258229876 /nfs/dbraw/zinc/22/98/76/258229876.db2.gz BLAOHXTWWJHAAZ-UHFFFAOYSA-N 1 0 369.368 2.897 20 5 FFBDRO C[C@H]1CCCN(c2ccc(C(=O)N3CC[C@@H]([NH+](C)C)C3)cc2[N+](=O)[O-])C1 ZINC000332431007 258230449 /nfs/dbraw/zinc/23/04/49/258230449.db2.gz WSEFSLSJHUGMPS-GOEBONIOSA-N 1 0 360.458 2.607 20 5 FFBDRO Cc1ccc(NC(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cc1[N+](=O)[O-] ZINC000332519505 258233309 /nfs/dbraw/zinc/23/33/09/258233309.db2.gz BQIZTQVIVDDTLG-RDJZCZTQSA-N 1 0 362.430 2.653 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000371068126 512202973 /nfs/dbraw/zinc/20/29/73/512202973.db2.gz ZABQEUZKQRCXBD-INIZCTEOSA-N 1 0 361.442 2.980 20 5 FFBDRO CN1CCC2(CC[NH+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)CC2)C1=O ZINC000373173834 512205999 /nfs/dbraw/zinc/20/59/99/512205999.db2.gz QZQTXEPCDAVBKP-UHFFFAOYSA-N 1 0 370.409 2.694 20 5 FFBDRO Cc1c(NC(=O)N[C@H]2CC[NH2+][C@H](C)C2)cc(Br)cc1[N+](=O)[O-] ZINC000415646790 513361961 /nfs/dbraw/zinc/36/19/61/513361961.db2.gz DHPHXILVOCSATQ-KCJUWKMLSA-N 1 0 371.235 2.928 20 5 FFBDRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1 ZINC000066060953 506420114 /nfs/dbraw/zinc/42/01/14/506420114.db2.gz NAKPRHCNNRKVIC-UHFFFAOYSA-N 1 0 374.397 2.512 20 5 FFBDRO CC[NH+]1CCN(Cc2ccc(CNc3ccncc3[N+](=O)[O-])cc2)CC1 ZINC000066808991 506648422 /nfs/dbraw/zinc/64/84/22/506648422.db2.gz CTYQFDIRHRQENT-UHFFFAOYSA-N 1 0 355.442 2.739 20 5 FFBDRO O=C(NCc1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000043238270 506719723 /nfs/dbraw/zinc/71/97/23/506719723.db2.gz DOQOCNSGEDLCEV-QGZVFWFLSA-N 1 0 354.410 2.669 20 5 FFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCN(c2cc[nH+]cc2)CC1 ZINC000043342735 506735365 /nfs/dbraw/zinc/73/53/65/506735365.db2.gz HAQXPSUXLGBHPB-UHFFFAOYSA-N 1 0 361.789 2.997 20 5 FFBDRO C[C@@H]1C[N@@H+](CCCNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)O1 ZINC000043342421 506736036 /nfs/dbraw/zinc/73/60/36/506736036.db2.gz IXWVBQAKXJDAGA-TXEJJXNPSA-N 1 0 370.837 2.869 20 5 FFBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[NH+](CCC(C)(C)C)CC1 ZINC000055935833 506892356 /nfs/dbraw/zinc/89/23/56/506892356.db2.gz XYYDOLFBHPDQDD-HNNXBMFYSA-N 1 0 362.474 2.976 20 5 FFBDRO CC1(C)CC(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC(C)(C)[NH2+]1 ZINC000045163406 506926616 /nfs/dbraw/zinc/92/66/16/506926616.db2.gz YWYIRNWXPNNQFO-UHFFFAOYSA-N 1 0 371.441 2.820 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000067661740 506967588 /nfs/dbraw/zinc/96/75/88/506967588.db2.gz CYVPPUKSAMLXOP-CYBMUJFWSA-N 1 0 350.419 2.845 20 5 FFBDRO C[NH+](C)[C@@H](CNC(=O)NCc1cccc([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000067725050 506990384 /nfs/dbraw/zinc/99/03/84/506990384.db2.gz NKFVTAHJOOVWEL-KRWDZBQOSA-N 1 0 360.389 2.836 20 5 FFBDRO CCCc1n[nH]c(C(=O)NCCC[N@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000068660725 507289897 /nfs/dbraw/zinc/28/98/97/507289897.db2.gz GIINUNDNSDNWFH-UHFFFAOYSA-N 1 0 359.430 2.522 20 5 FFBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000047623465 507367082 /nfs/dbraw/zinc/36/70/82/507367082.db2.gz MLADTFHERIHXJF-QGZVFWFLSA-N 1 0 369.421 2.754 20 5 FFBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000069137674 507418596 /nfs/dbraw/zinc/41/85/96/507418596.db2.gz SFUPNMXZLDQFEO-HNNXBMFYSA-N 1 0 360.458 2.657 20 5 FFBDRO C[C@@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000025634422 507516971 /nfs/dbraw/zinc/51/69/71/507516971.db2.gz RWLDIZSBRMDWOF-HNNXBMFYSA-N 1 0 353.422 2.700 20 5 FFBDRO COc1ccc(OCC[N@@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)c([N+](=O)[O-])c1 ZINC000375472966 512348339 /nfs/dbraw/zinc/34/83/39/512348339.db2.gz UVNLRDJAZIVDQS-CYBMUJFWSA-N 1 0 374.397 2.732 20 5 FFBDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000026567996 507599444 /nfs/dbraw/zinc/59/94/44/507599444.db2.gz ZWAXUCJIEKRTLG-UHFFFAOYSA-N 1 0 360.439 2.969 20 5 FFBDRO O=C(CCN1CC[NH+](Cc2ccccc2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000026751520 507606038 /nfs/dbraw/zinc/60/60/38/507606038.db2.gz LUKLOWUCWSGLSN-UHFFFAOYSA-N 1 0 368.437 2.741 20 5 FFBDRO C[NH+](C)[C@H](CNC(=O)CSc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000027145179 507635161 /nfs/dbraw/zinc/63/51/61/507635161.db2.gz OHKZKHWPTLMHON-KRWDZBQOSA-N 1 0 373.478 2.976 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000050008980 507650855 /nfs/dbraw/zinc/65/08/55/507650855.db2.gz AGMIPIYODZGTNZ-UHFFFAOYSA-N 1 0 361.442 2.942 20 5 FFBDRO Cc1c(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)cccc1[N+](=O)[O-] ZINC000070928557 507664672 /nfs/dbraw/zinc/66/46/72/507664672.db2.gz FFWIYPHYWOKUHJ-UHFFFAOYSA-N 1 0 354.410 2.945 20 5 FFBDRO O=C(NCC[NH+]1CCCCC1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000050579499 507694180 /nfs/dbraw/zinc/69/41/80/507694180.db2.gz HYAZNHIDRWILSA-UHFFFAOYSA-N 1 0 360.439 2.934 20 5 FFBDRO CC1CC[NH+](Cc2ccc(CNc3ncc([N+](=O)[O-])c(N)n3)cc2)CC1 ZINC000071952047 507728432 /nfs/dbraw/zinc/72/84/32/507728432.db2.gz SXOHRVDXTZEBMM-UHFFFAOYSA-N 1 0 356.430 2.811 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+](C2CC2)[C@@H]2CCCc3ccccc32)c1 ZINC000072580334 507827613 /nfs/dbraw/zinc/82/76/13/507827613.db2.gz FLFJHNSUQVVGGW-IEBWSBKVSA-N 1 0 356.426 2.694 20 5 FFBDRO NC(=O)c1cccc(CC[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000089545605 507846697 /nfs/dbraw/zinc/84/66/97/507846697.db2.gz GDGIWAFVZPECPA-SFHVURJKSA-N 1 0 353.422 2.847 20 5 FFBDRO O=C(NCCC[NH+]1CCCCC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000072753539 507849744 /nfs/dbraw/zinc/84/97/44/507849744.db2.gz DEQGYMFEBVLLSY-UHFFFAOYSA-N 1 0 360.458 2.801 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)NCC[NH+]3CCCC3)cc2[N+](=O)[O-])C1 ZINC000072906446 507871848 /nfs/dbraw/zinc/87/18/48/507871848.db2.gz YYZXWKWSSAMLLB-OAHLLOKOSA-N 1 0 360.458 2.657 20 5 FFBDRO CCSCC[C@@H](C)[N@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000072901853 507872011 /nfs/dbraw/zinc/87/20/11/507872011.db2.gz QIKSCFUOELHEOW-CYBMUJFWSA-N 1 0 351.472 2.947 20 5 FFBDRO Cc1nn(CCC(=O)NCCCCC[NH+]2CCCCC2)c(C)c1[N+](=O)[O-] ZINC000078614058 507889255 /nfs/dbraw/zinc/88/92/55/507889255.db2.gz STWADXXMIUJLSK-UHFFFAOYSA-N 1 0 365.478 2.571 20 5 FFBDRO CC(C)[C@@H](CNc1ccc([N+](=O)[O-])c2cnccc12)[NH+]1CCN(C)CC1 ZINC000078886505 507914560 /nfs/dbraw/zinc/91/45/60/507914560.db2.gz NYJJBARRBXARKF-LJQANCHMSA-N 1 0 357.458 2.827 20 5 FFBDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000108821349 507920303 /nfs/dbraw/zinc/92/03/03/507920303.db2.gz TUQJROWQPGNDJQ-HUUCEWRRSA-N 1 0 363.458 2.846 20 5 FFBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC(c2nc3ccccc3o2)CC1 ZINC000090516356 507925046 /nfs/dbraw/zinc/92/50/46/507925046.db2.gz VAWDCFURJODETG-UHFFFAOYSA-N 1 0 368.393 2.777 20 5 FFBDRO CCO[C@H]1C[C@@H]([N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)C12CCCCC2 ZINC000090550710 507926812 /nfs/dbraw/zinc/92/68/12/507926812.db2.gz ZBNMUCQQFWEKKQ-SJORKVTESA-N 1 0 363.458 2.816 20 5 FFBDRO O=[N+]([O-])c1ccccc1OCCN1CC[NH+](CCc2cccs2)CC1 ZINC000108973316 507929461 /nfs/dbraw/zinc/92/94/61/507929461.db2.gz IHFHBBSJPXALMH-UHFFFAOYSA-N 1 0 361.467 2.895 20 5 FFBDRO COc1ccc(C[C@@H](C)C[N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000090619703 507930802 /nfs/dbraw/zinc/93/08/02/507930802.db2.gz MAUBLNHVWNLZRJ-OAHLLOKOSA-N 1 0 359.426 2.576 20 5 FFBDRO CCC[NH+]1CCC(N(C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000109788446 507987110 /nfs/dbraw/zinc/98/71/10/507987110.db2.gz IALBUPYFDVBKBH-UHFFFAOYSA-N 1 0 359.430 2.951 20 5 FFBDRO Cc1cc(C(=O)NCC2([NH+]3CCCCC3)CCOCC2)ccc1[N+](=O)[O-] ZINC000109980962 507999184 /nfs/dbraw/zinc/99/91/84/507999184.db2.gz GXOACJYGQLLHRP-UHFFFAOYSA-N 1 0 361.442 2.668 20 5 FFBDRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000074322183 508012531 /nfs/dbraw/zinc/01/25/31/508012531.db2.gz DDHDKFTYXOMHPS-OAHLLOKOSA-N 1 0 363.483 2.877 20 5 FFBDRO Cn1ccnc1[C@@H](O)[C@@H]1CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000092010480 508033252 /nfs/dbraw/zinc/03/32/52/508033252.db2.gz VJLOMMCOTSJHGU-KOEAPFFJSA-N 1 0 356.426 2.787 20 5 FFBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@H](CCC(N)=O)C1 ZINC000110627274 508037961 /nfs/dbraw/zinc/03/79/61/508037961.db2.gz UACJYQOQOGUXQF-QWHCGFSZSA-N 1 0 373.413 2.683 20 5 FFBDRO CNC(=O)[C@@H]1CCC[N@H+](Cc2cc(=O)oc3ccc4ccccc4c23)C1 ZINC000111269097 508084521 /nfs/dbraw/zinc/08/45/21/508084521.db2.gz OODQFMMFFSAGCZ-OAHLLOKOSA-N 1 0 350.418 2.904 20 5 FFBDRO CCCc1n[nH]c(C(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000111631062 508111736 /nfs/dbraw/zinc/11/17/36/508111736.db2.gz GETSJTWTWNZUPK-ZDUSSCGKSA-N 1 0 359.430 2.521 20 5 FFBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@@H](c3nnc4ccccn43)C2)c1 ZINC000076397243 508200867 /nfs/dbraw/zinc/20/08/67/508200867.db2.gz HECLFSSGDQOQGF-OAHLLOKOSA-N 1 0 367.409 2.896 20 5 FFBDRO C[NH+](C)CCC1CCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000112925110 508233983 /nfs/dbraw/zinc/23/39/83/508233983.db2.gz HYFWFPKVIRLIQG-UHFFFAOYSA-N 1 0 371.441 2.584 20 5 FFBDRO COc1cc(CN2C[C@H]3CCC[N@@H+]3C[C@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000113268059 508255824 /nfs/dbraw/zinc/25/58/24/508255824.db2.gz MHGPJHSWEVKVNP-DGCLKSJQSA-N 1 0 371.384 2.873 20 5 FFBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000113900180 508285041 /nfs/dbraw/zinc/28/50/41/508285041.db2.gz LWVUMMULJBMCBS-CABCVRRESA-N 1 0 360.458 2.904 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C(C)C)C1CCOCC1 ZINC000077323375 508300658 /nfs/dbraw/zinc/30/06/58/508300658.db2.gz HYYYYHALHCAMDZ-UHFFFAOYSA-N 1 0 365.430 2.821 20 5 FFBDRO C[NH+](C)Cc1ccc(C(=O)Nc2n[nH]c(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000103201422 508301539 /nfs/dbraw/zinc/30/15/39/508301539.db2.gz BMHPNFRWYSMLER-UHFFFAOYSA-N 1 0 366.381 2.694 20 5 FFBDRO COc1cccc(NC(=O)CC[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000088605516 508378460 /nfs/dbraw/zinc/37/84/60/508378460.db2.gz OCDDILXMUMJQOR-UHFFFAOYSA-N 1 0 355.394 2.990 20 5 FFBDRO CCOC(=O)c1ccnc(NC[C@@H](c2ccccc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000077902821 508390213 /nfs/dbraw/zinc/39/02/13/508390213.db2.gz CSIODHOSBBBMIL-HNNXBMFYSA-N 1 0 358.398 2.881 20 5 FFBDRO C[N@@H+]1CCC[C@H]2CN(c3ccc([N+](=O)[O-])c(C(=O)N4CCCC4)c3)CC[C@@H]21 ZINC000133672104 508432480 /nfs/dbraw/zinc/43/24/80/508432480.db2.gz SPABZKQFWDOCBF-YJBOKZPZSA-N 1 0 372.469 2.751 20 5 FFBDRO C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C[N@@H+]1C1CC1 ZINC000133780131 508448385 /nfs/dbraw/zinc/44/83/85/508448385.db2.gz MZMQTUPOBVSRRH-JOYOIKCWSA-N 1 0 357.332 2.969 20 5 FFBDRO COc1ccc2c(c1)CN(CC(=O)Nc1c(C)cccc1[N+](=O)[O-])CC2 ZINC000115891863 508454271 /nfs/dbraw/zinc/45/42/71/508454271.db2.gz NYNUZVDCVHVORH-UHFFFAOYSA-N 1 0 355.394 2.909 20 5 FFBDRO O=C([C@@H](C1CC1)[NH+]1CCCC1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000127463007 508454469 /nfs/dbraw/zinc/45/44/69/508454469.db2.gz ZBIYALCSXZPAEU-LJQANCHMSA-N 1 0 373.453 2.839 20 5 FFBDRO CN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)[C@H]1CCC[N@H+](C)C1 ZINC000122033103 508470895 /nfs/dbraw/zinc/47/08/95/508470895.db2.gz WBRXQXSOVHMICF-LBPRGKRZSA-N 1 0 356.220 2.524 20 5 FFBDRO C[C@H](N[C@@H](CC[NH+](C)C)C(C)(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000116395849 508506490 /nfs/dbraw/zinc/50/64/90/508506490.db2.gz IQPWOBUXDHCCFB-BBRMVZONSA-N 1 0 350.463 2.878 20 5 FFBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157445854 508566758 /nfs/dbraw/zinc/56/67/58/508566758.db2.gz PPYPSXGUWVQNST-KRWDZBQOSA-N 1 0 360.458 2.797 20 5 FFBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc(NS(C)(=O)=O)cc1 ZINC000123219560 508654316 /nfs/dbraw/zinc/65/43/16/508654316.db2.gz VAMICSKJBKCORO-ZDUSSCGKSA-N 1 0 363.439 2.860 20 5 FFBDRO COc1ccc(C[NH2+]C[C@H](C)CO)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000123470375 508691560 /nfs/dbraw/zinc/69/15/60/508691560.db2.gz OSKFSIAICPNGFE-AWEZNQCLSA-N 1 0 360.410 2.900 20 5 FFBDRO CC[C@H](NC(=O)c1ccnc(OCC[NH+](C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000119061356 508717548 /nfs/dbraw/zinc/71/75/48/508717548.db2.gz OULXNNXQBRUKRG-KRWDZBQOSA-N 1 0 372.425 2.811 20 5 FFBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3C[C@@H](C)[NH2+][C@@H](C)C3)cc2[N+](=O)[O-])C1 ZINC000154152155 508726374 /nfs/dbraw/zinc/72/63/74/508726374.db2.gz ISYPGOBNPMVVTG-FPCVCCKLSA-N 1 0 374.485 2.900 20 5 FFBDRO C[C@@H]1C[C@@H](NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)C[N@@H+]1C1CC1 ZINC000154241839 508744302 /nfs/dbraw/zinc/74/43/02/508744302.db2.gz IUVIJSUCHKKNRE-UKRRQHHQSA-N 1 0 358.442 2.894 20 5 FFBDRO O=C(C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])NCc1ccco1 ZINC000129708485 508756655 /nfs/dbraw/zinc/75/66/55/508756655.db2.gz IMIHDYFKFHBTCP-YOEHRIQHSA-N 1 0 357.410 2.805 20 5 FFBDRO O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000158848665 508759962 /nfs/dbraw/zinc/75/99/62/508759962.db2.gz QEURJVHGBRILEW-QGZVFWFLSA-N 1 0 358.423 2.544 20 5 FFBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000369458942 512419210 /nfs/dbraw/zinc/41/92/10/512419210.db2.gz SNGWOXXRYFTORW-KBPBESRZSA-N 1 0 367.833 2.760 20 5 FFBDRO COc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC(=O)N3C3CC3)C2)cc1[N+](=O)[O-] ZINC000159270216 508816737 /nfs/dbraw/zinc/81/67/37/508816737.db2.gz BGZNFYROGILDKC-ZBFHGGJFSA-N 1 0 359.426 2.579 20 5 FFBDRO C[NH+](C)CC1CCC(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000154813922 508861407 /nfs/dbraw/zinc/86/14/07/508861407.db2.gz HXEYMORZJWDBBQ-UHFFFAOYSA-N 1 0 356.426 2.993 20 5 FFBDRO COCC[N@H+](C)CCCC1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000131119337 508889655 /nfs/dbraw/zinc/88/96/55/508889655.db2.gz HELHEFSUOJMVHF-UHFFFAOYSA-N 1 0 363.458 2.805 20 5 FFBDRO COc1ccc(-c2ccc(C[NH+]3CCC(CC(N)=O)CC3)o2)c([N+](=O)[O-])c1 ZINC000159784663 508890388 /nfs/dbraw/zinc/89/03/88/508890388.db2.gz RCPAIPYUAKASEF-UHFFFAOYSA-N 1 0 373.409 2.951 20 5 FFBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)CC[C@@H]21 ZINC000155120468 508928463 /nfs/dbraw/zinc/92/84/63/508928463.db2.gz BDTHXDIYRLQRGG-IRXDYDNUSA-N 1 0 372.469 2.751 20 5 FFBDRO CC[N@@H+]1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000120110402 508930560 /nfs/dbraw/zinc/93/05/60/508930560.db2.gz FQVYEZATUAFGMT-LLVKDONJSA-N 1 0 370.247 2.819 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000120160997 508940817 /nfs/dbraw/zinc/94/08/17/508940817.db2.gz RXCDGLMIJILKEE-HNNXBMFYSA-N 1 0 369.487 2.550 20 5 FFBDRO CN(C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)c1ccco1 ZINC000120417030 508991309 /nfs/dbraw/zinc/99/13/09/508991309.db2.gz ODHDEHNUZUBDCL-OAHLLOKOSA-N 1 0 354.366 2.769 20 5 FFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@@H+]1CCOC ZINC000132277844 509010042 /nfs/dbraw/zinc/01/00/42/509010042.db2.gz ZGTATODWVDRDGR-CQSZACIVSA-N 1 0 367.471 2.547 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H](O)CN1CCc2ccccc2C1 ZINC000151787632 509082593 /nfs/dbraw/zinc/08/25/93/509082593.db2.gz BYMUIIKQIIOLGS-OXJNMPFZSA-N 1 0 369.465 2.973 20 5 FFBDRO Cc1c(Cl)cc(S(=O)(=O)N(C)CC[C@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000161239666 509090767 /nfs/dbraw/zinc/09/07/67/509090767.db2.gz ODEZXIISAUMMNZ-ZDUSSCGKSA-N 1 0 363.867 2.551 20 5 FFBDRO CC[NH+]1CCC(CCNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000156176615 509139254 /nfs/dbraw/zinc/13/92/54/509139254.db2.gz NJONQWVAHSXKHT-UHFFFAOYSA-N 1 0 356.426 2.995 20 5 FFBDRO C[NH+](C)CCN(Cc1ccco1)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000121235834 509154540 /nfs/dbraw/zinc/15/45/40/509154540.db2.gz HMEFQWMWHYWXOY-UHFFFAOYSA-N 1 0 363.439 2.870 20 5 FFBDRO CC[N@@H+]1CCCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000133429165 509159317 /nfs/dbraw/zinc/15/93/17/509159317.db2.gz VXYKVFAEJZBTIO-UHFFFAOYSA-N 1 0 360.439 2.886 20 5 FFBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CC[C@H](Oc2ccncc2)C1 ZINC000121318143 509166055 /nfs/dbraw/zinc/16/60/55/509166055.db2.gz WDPPJSFFZCCRGB-HNNXBMFYSA-N 1 0 359.407 2.762 20 5 FFBDRO C[C@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)[N@@H+]1CCc2ccccc2C1 ZINC000172761876 509218527 /nfs/dbraw/zinc/21/85/27/509218527.db2.gz IUHFWEIRDDDGSW-OAHLLOKOSA-N 1 0 353.422 2.700 20 5 FFBDRO C[N@@H+](Cc1cc(F)c(F)c(F)c1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182475216 509256801 /nfs/dbraw/zinc/25/68/01/509256801.db2.gz JIVKBVQIFXRSHM-GFCCVEGCSA-N 1 0 370.327 2.884 20 5 FFBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N(C)[C@@H]3CC[NH2+]C3)cc2[N+](=O)[O-])C1 ZINC000179117480 509270486 /nfs/dbraw/zinc/27/04/86/509270486.db2.gz ZVUWWVRFRUVHMN-IIAWOOMASA-N 1 0 360.458 2.511 20 5 FFBDRO CCC[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C[C@H]1CCCCO1 ZINC000248447718 509326381 /nfs/dbraw/zinc/32/63/81/509326381.db2.gz HKDMMOJWTYNQEY-HZPDHXFCSA-N 1 0 352.431 2.616 20 5 FFBDRO CC[N@@H+]1CCC[C@H](NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000182641930 509346881 /nfs/dbraw/zinc/34/68/81/509346881.db2.gz OTXONTMVUPLZOP-LBPRGKRZSA-N 1 0 357.863 2.941 20 5 FFBDRO CCOc1cc(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c([N+](=O)[O-])cc1OC ZINC000173052176 509369763 /nfs/dbraw/zinc/36/97/63/509369763.db2.gz OFAKCUHHBCGEIM-LBPRGKRZSA-N 1 0 367.446 2.708 20 5 FFBDRO COc1cccc2c1CCN(CC(=O)N1CCc3cc([N+](=O)[O-])ccc31)C2 ZINC000182707544 509384285 /nfs/dbraw/zinc/38/42/85/509384285.db2.gz FPNVHDCEXKARRQ-UHFFFAOYSA-N 1 0 367.405 2.551 20 5 FFBDRO O=C(NCC1([NH+]2CCCC2)CCOCC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000264233299 509398923 /nfs/dbraw/zinc/39/89/23/509398923.db2.gz YLONVFLJIYAYGJ-UHFFFAOYSA-N 1 0 367.833 2.623 20 5 FFBDRO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000192211004 509404550 /nfs/dbraw/zinc/40/45/50/509404550.db2.gz PUYDJSMYRJAXEF-LJQANCHMSA-N 1 0 369.421 2.616 20 5 FFBDRO CC[NH+](CC)C[C@H]1CCN(c2ncc([N+](=O)[O-])cc2Br)C1 ZINC000267245586 509408976 /nfs/dbraw/zinc/40/89/76/509408976.db2.gz NIOPOQFXTINXPB-LLVKDONJSA-N 1 0 357.252 2.920 20 5 FFBDRO CN(CC(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC000173131623 509410551 /nfs/dbraw/zinc/41/05/51/509410551.db2.gz CROOHCNREFPZNH-SFHVURJKSA-N 1 0 374.416 2.589 20 5 FFBDRO CC[N@H+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C1 ZINC000267286720 509429979 /nfs/dbraw/zinc/42/99/79/509429979.db2.gz WNYUUNAVFLUBGL-OAHLLOKOSA-N 1 0 360.458 2.609 20 5 FFBDRO Cc1c(Br)cc(C(=O)N2CCC([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000164101279 509464081 /nfs/dbraw/zinc/46/40/81/509464081.db2.gz ZYHRZCBLKYXEHJ-UHFFFAOYSA-N 1 0 370.247 2.832 20 5 FFBDRO Cc1nn(Cc2ccc(C(=O)N[C@H](C[NH3+])CC(C)C)cc2)c(C)c1[N+](=O)[O-] ZINC000236660735 509474105 /nfs/dbraw/zinc/47/41/05/509474105.db2.gz RPUAPAFROTYZNO-KRWDZBQOSA-N 1 0 373.457 2.560 20 5 FFBDRO C[NH+](C)CCCOC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000176424026 509502320 /nfs/dbraw/zinc/50/23/20/509502320.db2.gz RKNUDCJWAAPGTH-UHFFFAOYSA-N 1 0 369.849 2.821 20 5 FFBDRO C[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000186075036 509512128 /nfs/dbraw/zinc/51/21/28/509512128.db2.gz GDURXNYYXWUVHB-KBPBESRZSA-N 1 0 367.471 2.526 20 5 FFBDRO CC(C)[N@H+](C)CCCNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000267506143 509521169 /nfs/dbraw/zinc/52/11/69/509521169.db2.gz WWYJOIMHOMMXBD-UHFFFAOYSA-N 1 0 358.236 2.817 20 5 FFBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccc(OC(F)F)cc1 ZINC000179601171 509530781 /nfs/dbraw/zinc/53/07/81/509530781.db2.gz ZOZZZLTTXYGFIX-NSHDSACASA-N 1 0 353.325 2.709 20 5 FFBDRO COc1ccc(COC[C@H](O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000173356478 509550833 /nfs/dbraw/zinc/55/08/33/509550833.db2.gz RSNJFKYBUXDTRX-RDTXWAMCSA-N 1 0 360.410 2.832 20 5 FFBDRO C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183029221 509556145 /nfs/dbraw/zinc/55/61/45/509556145.db2.gz CLVYCIKZBKRTBV-UONOGXRCSA-N 1 0 367.471 2.526 20 5 FFBDRO C[NH2+]CC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CC1 ZINC000237069890 509563039 /nfs/dbraw/zinc/56/30/39/509563039.db2.gz HUHGZKGMDMRNPK-UHFFFAOYSA-N 1 0 360.458 2.657 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)c1 ZINC000264534363 509584945 /nfs/dbraw/zinc/58/49/45/509584945.db2.gz ZFSQLGQLBGZDFY-MRXNPFEDSA-N 1 0 361.442 2.759 20 5 FFBDRO Cc1c(Br)c(N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)ncc1[N+](=O)[O-] ZINC000165812038 509585066 /nfs/dbraw/zinc/58/50/66/509585066.db2.gz UMFGHORQLFTCCL-ZACCUICWSA-N 1 0 355.236 2.780 20 5 FFBDRO C[C@@H](Nc1ccc(C(=O)NCC[NH2+]C2CC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000237373335 509633135 /nfs/dbraw/zinc/63/31/35/509633135.db2.gz GLALODFNUFKANG-CYBMUJFWSA-N 1 0 369.425 2.645 20 5 FFBDRO Cc1c(NC(=O)[C@H](C)N2CC[C@@H]([NH+]3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000264668566 509634122 /nfs/dbraw/zinc/63/41/22/509634122.db2.gz ZYKWQPOCLHPJMC-JKSUJKDBSA-N 1 0 360.458 2.790 20 5 FFBDRO CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000186326329 509648651 /nfs/dbraw/zinc/64/86/51/509648651.db2.gz PEMLGSRFTKBDEB-SZMVWBNQSA-N 1 0 352.431 2.518 20 5 FFBDRO O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000264703939 509656449 /nfs/dbraw/zinc/65/64/49/509656449.db2.gz AJWHTLUKYKICDV-CQSZACIVSA-N 1 0 370.409 2.549 20 5 FFBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)C1CCOCC1 ZINC000179876143 509658363 /nfs/dbraw/zinc/65/83/63/509658363.db2.gz JADWNRQBGMZULB-MNOVXSKESA-N 1 0 355.822 2.980 20 5 FFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000173598919 509668425 /nfs/dbraw/zinc/66/84/25/509668425.db2.gz QELPZMXCFXLOMK-AWEZNQCLSA-N 1 0 356.426 2.939 20 5 FFBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000267986990 509703718 /nfs/dbraw/zinc/70/37/18/509703718.db2.gz PKINABFNJJCWDC-ZFWWWQNUSA-N 1 0 369.487 2.548 20 5 FFBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NCC[C@H]1CCC[NH2+]C1 ZINC000237760893 509728365 /nfs/dbraw/zinc/72/83/65/509728365.db2.gz DVKXTWZDFGZBGP-GFCCVEGCSA-N 1 0 355.822 2.523 20 5 FFBDRO CCOC[C@@H]([NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)C(C)C ZINC000189810992 509764899 /nfs/dbraw/zinc/76/48/99/509764899.db2.gz PBVSFEWDSBTULO-SWLSCSKDSA-N 1 0 353.419 2.581 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2nnc(CN3CCC(C[NH+]4CCCC4)CC3)o2)cc1 ZINC000193081409 509771325 /nfs/dbraw/zinc/77/13/25/509771325.db2.gz DEUCLZWVPIBLHE-UHFFFAOYSA-N 1 0 371.441 2.953 20 5 FFBDRO COc1cc(CN(C)CCn2cccn2)c([N+](=O)[O-])cc1OCC(F)F ZINC000180146498 509776487 /nfs/dbraw/zinc/77/64/87/509776487.db2.gz UGGGOURISXUHKD-UHFFFAOYSA-N 1 0 370.356 2.576 20 5 FFBDRO CC(C)(O)C[N@@H+](Cc1ccccc1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000180222903 509820838 /nfs/dbraw/zinc/82/08/38/509820838.db2.gz VFVFQJFBWNZQPN-GOSISDBHSA-N 1 0 374.437 2.608 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H](c2ccc(F)cc2)C2CCCC2)c1 ZINC000180303467 509859752 /nfs/dbraw/zinc/85/97/52/509859752.db2.gz GBLGXCUSUBXBEB-ROUUACIJSA-N 1 0 362.405 2.812 20 5 FFBDRO CCOC(=O)c1ccnc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c1[N+](=O)[O-] ZINC000173998153 509896731 /nfs/dbraw/zinc/89/67/31/509896731.db2.gz CPWNXAOOTAPDSN-KGLIPLIRSA-N 1 0 362.430 2.618 20 5 FFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000171029640 509899760 /nfs/dbraw/zinc/89/97/60/509899760.db2.gz RWGUJNKLCPJBFI-UHFFFAOYSA-N 1 0 360.389 2.641 20 5 FFBDRO C[C@@H]([NH2+]CCCN1C(=O)c2ccccc2C1=O)c1cccc([N+](=O)[O-])c1 ZINC000180393994 509901417 /nfs/dbraw/zinc/90/14/17/509901417.db2.gz NAFXBWNLZVXJLT-CYBMUJFWSA-N 1 0 353.378 2.932 20 5 FFBDRO C[C@@H]([NH2+]CC(=O)Nc1cccc(C(=O)N(C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000180417975 509916195 /nfs/dbraw/zinc/91/61/95/509916195.db2.gz UIOGYMQYFOKTFB-CYBMUJFWSA-N 1 0 370.409 2.586 20 5 FFBDRO CC(=O)c1cccc(OC[C@H](O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000180420202 509919065 /nfs/dbraw/zinc/91/90/65/509919065.db2.gz HNIWXNDKEYCOGP-SCLBCKFNSA-N 1 0 358.394 2.888 20 5 FFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000177226344 509948087 /nfs/dbraw/zinc/94/80/87/509948087.db2.gz DLIYXHHXNCPSQT-QAPCUYQASA-N 1 0 363.458 2.535 20 5 FFBDRO C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(Cl)c1Cl ZINC000183767512 509964948 /nfs/dbraw/zinc/96/49/48/509964948.db2.gz GTXNSMWACDWNQP-GXSJLCMTSA-N 1 0 359.213 2.810 20 5 FFBDRO C[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(Cl)c1Cl ZINC000183767526 509965586 /nfs/dbraw/zinc/96/55/86/509965586.db2.gz GTXNSMWACDWNQP-MWLCHTKSSA-N 1 0 359.213 2.810 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000193585043 509978412 /nfs/dbraw/zinc/97/84/12/509978412.db2.gz RUJQZKYSENXXBL-ZDUSSCGKSA-N 1 0 373.413 2.535 20 5 FFBDRO COC(=O)c1cnc(NCc2ccccc2C[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000190165367 509980486 /nfs/dbraw/zinc/98/04/86/509980486.db2.gz QBZQWIYSXTWVMR-UHFFFAOYSA-N 1 0 370.409 2.984 20 5 FFBDRO CC[C@@]1(CO)CCC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000190214125 510009016 /nfs/dbraw/zinc/00/90/16/510009016.db2.gz DNTRSECHQREIJK-LJQANCHMSA-N 1 0 358.442 2.980 20 5 FFBDRO COC(=O)[C@]1(C)CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000177427352 510052144 /nfs/dbraw/zinc/05/21/44/510052144.db2.gz ZSECVFFEADPNMJ-GOSISDBHSA-N 1 0 359.382 2.677 20 5 FFBDRO C[C@@H]1CCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H](C[NH3+])C1 ZINC000261782943 510061496 /nfs/dbraw/zinc/06/14/96/510061496.db2.gz LGTBDKKINAKVEC-BXUZGUMPSA-N 1 0 360.439 2.918 20 5 FFBDRO CC1CC[NH+](C[C@H]2CCCN(C(=O)c3c(N)cccc3[N+](=O)[O-])C2)CC1 ZINC000180726540 510075980 /nfs/dbraw/zinc/07/59/80/510075980.db2.gz KSTAHXAETIGRJG-OAHLLOKOSA-N 1 0 360.458 2.761 20 5 FFBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000177496881 510096307 /nfs/dbraw/zinc/09/63/07/510096307.db2.gz IOCRVSAKBWJUPS-JKSUJKDBSA-N 1 0 360.458 2.798 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(c2ncc[nH]2)CC1 ZINC000265556813 510113355 /nfs/dbraw/zinc/11/33/55/510113355.db2.gz ZSAACLLWCJHUPP-UHFFFAOYSA-N 1 0 357.414 2.835 20 5 FFBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC(C[NH+]2CCCC2)CC1 ZINC000171389054 510127006 /nfs/dbraw/zinc/12/70/06/510127006.db2.gz PNSVACSIZSHWFX-HNNXBMFYSA-N 1 0 360.458 2.730 20 5 FFBDRO C[C@H](Cn1cc(Br)cn1)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000268907081 510128103 /nfs/dbraw/zinc/12/81/03/510128103.db2.gz FEAPMMLUEBPLFF-LLVKDONJSA-N 1 0 353.220 2.775 20 5 FFBDRO C[C@@H](Nc1ccc(C(=O)NC[C@@H]([NH3+])C2CC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000261961878 510130616 /nfs/dbraw/zinc/13/06/16/510130616.db2.gz RZCLGWXASHWGLV-IUODEOHRSA-N 1 0 369.425 2.630 20 5 FFBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 ZINC000174526497 510160517 /nfs/dbraw/zinc/16/05/17/510160517.db2.gz UGWFWZBXFSVNEV-OAHLLOKOSA-N 1 0 360.458 2.609 20 5 FFBDRO Cc1[nH]nc(C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)c1[N+](=O)[O-] ZINC000269009439 510189910 /nfs/dbraw/zinc/18/99/10/510189910.db2.gz ZAMMYUZLXDRKGU-UHFFFAOYSA-N 1 0 373.413 2.743 20 5 FFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000194211851 510263677 /nfs/dbraw/zinc/26/36/77/510263677.db2.gz IKCIWTOOOCZVIT-UHFFFAOYSA-N 1 0 372.400 2.832 20 5 FFBDRO COc1ccc(NC(=O)CC[N@H+](C)CCCOC(C)C)c([N+](=O)[O-])c1 ZINC000265861273 510269423 /nfs/dbraw/zinc/26/94/23/510269423.db2.gz KDWQNEQCXDJYTA-UHFFFAOYSA-N 1 0 353.419 2.679 20 5 FFBDRO CC(C)C[C@@H](C[NH3+])NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000269195609 510283721 /nfs/dbraw/zinc/28/37/21/510283721.db2.gz ISDVMCZKRDZMEE-VIFPVBQESA-N 1 0 362.199 2.600 20 5 FFBDRO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)NC1CC[NH+](C2CC2)CC1 ZINC000184371527 510290268 /nfs/dbraw/zinc/29/02/68/510290268.db2.gz PICMLVNPPIQACV-UHFFFAOYSA-N 1 0 352.822 2.674 20 5 FFBDRO CCO[C@@H]1C[C@@H](O)C12CC[NH+](CCCOc1ccc([N+](=O)[O-])cc1)CC2 ZINC000265922834 510301400 /nfs/dbraw/zinc/30/14/00/510301400.db2.gz CDYHBVVPNCZSOU-QZTJIDSGSA-N 1 0 364.442 2.616 20 5 FFBDRO CC(C)[NH2+]C1CCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000171691130 510309279 /nfs/dbraw/zinc/30/92/79/510309279.db2.gz LVTQDLPPFOXYNG-UHFFFAOYSA-N 1 0 354.838 2.649 20 5 FFBDRO CC[NH+](CC)[C@@H](CNC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-])c1ccco1 ZINC000269330236 510344239 /nfs/dbraw/zinc/34/42/39/510344239.db2.gz FBFJEARDRGIGPX-LBPRGKRZSA-N 1 0 363.418 2.847 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000184482892 510349452 /nfs/dbraw/zinc/34/94/52/510349452.db2.gz OSOKDXXMJDZMHY-OAHLLOKOSA-N 1 0 364.446 2.690 20 5 FFBDRO CC(C)c1n[nH]c(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000269386749 510377519 /nfs/dbraw/zinc/37/75/19/510377519.db2.gz QHULNPKGRGLZBO-NSHDSACASA-N 1 0 351.432 2.536 20 5 FFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262723913 510385518 /nfs/dbraw/zinc/38/55/18/510385518.db2.gz GLZZSLXDGSXRRG-KRWDZBQOSA-N 1 0 371.441 2.767 20 5 FFBDRO CC[NH+](CC)CCCSc1nc2cc([N+](=O)[O-])ccc2c(=O)n1C ZINC000194560762 510424501 /nfs/dbraw/zinc/42/45/01/510424501.db2.gz BORUQILIFPLQTM-UHFFFAOYSA-N 1 0 350.444 2.666 20 5 FFBDRO Cc1cc(N2CC[C@@H]([NH+]3CC=CC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000266293356 510503484 /nfs/dbraw/zinc/50/34/84/510503484.db2.gz XEEHJFGODYWCTI-QGZVFWFLSA-N 1 0 351.410 2.811 20 5 FFBDRO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)C1 ZINC000175164479 510512949 /nfs/dbraw/zinc/51/29/49/510512949.db2.gz PYBDFRVHWILZBW-HNNXBMFYSA-N 1 0 369.487 2.564 20 5 FFBDRO CC(C)(COc1ccc(C(F)(F)F)cn1)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000181662525 510528066 /nfs/dbraw/zinc/52/80/66/510528066.db2.gz YWPJZTYDVZVTSC-UHFFFAOYSA-N 1 0 373.335 2.652 20 5 FFBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NCCC[NH+]1CCCC1 ZINC000181800055 510600730 /nfs/dbraw/zinc/60/07/30/510600730.db2.gz GXPSZKFYQYYQOZ-UHFFFAOYSA-N 1 0 357.863 2.942 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000191337236 510611148 /nfs/dbraw/zinc/61/11/48/510611148.db2.gz DLEYWDZUBHWPCA-AWEZNQCLSA-N 1 0 364.446 2.521 20 5 FFBDRO CCOC(=O)c1ccnc(N2CCN(C)C[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000246711587 510628474 /nfs/dbraw/zinc/62/84/74/510628474.db2.gz SWIHHEMBYOMPGL-INIZCTEOSA-N 1 0 370.409 2.660 20 5 FFBDRO O=c1cc(C[N@H+]2CCC[C@H](OCCO)C2)c2c(ccc3ccccc32)o1 ZINC000172302440 510657482 /nfs/dbraw/zinc/65/74/82/510657482.db2.gz RFTJKGWVKPVCTG-KRWDZBQOSA-N 1 0 353.418 2.920 20 5 FFBDRO C[N@@H+]1CCC[C@H]2CN(CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])CC[C@H]21 ZINC000246764804 510660019 /nfs/dbraw/zinc/66/00/19/510660019.db2.gz HWCALUSISDRHGN-SWLSCSKDSA-N 1 0 366.849 2.603 20 5 FFBDRO C[N@@H+](Cc1ccc(Cl)nc1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181953455 510676442 /nfs/dbraw/zinc/67/64/42/510676442.db2.gz ZCZPTRFUAJUHME-CYBMUJFWSA-N 1 0 351.790 2.515 20 5 FFBDRO Cc1c(CN(C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000188294247 510695033 /nfs/dbraw/zinc/69/50/33/510695033.db2.gz FBRXSKNKJVNYTK-OAQYLSRUSA-N 1 0 369.465 2.972 20 5 FFBDRO CC[C@@H]([NH2+][C@@H]1CCCN(c2ccn(C)n2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000178676607 510716951 /nfs/dbraw/zinc/71/69/51/510716951.db2.gz PMSYXAUOBFOVLI-HZPDHXFCSA-N 1 0 357.414 2.565 20 5 FFBDRO Cc1cccc([C@H]2CCC[N@@H+]2C[C@H](O)COc2ccccc2[N+](=O)[O-])n1 ZINC000182028885 510718720 /nfs/dbraw/zinc/71/87/20/510718720.db2.gz WAMOLBFHFJLFSY-DOTOQJQBSA-N 1 0 357.410 2.875 20 5 FFBDRO Cc1cccc(NCc2cccc(C(=O)NCC[NH+](C)C)c2)c1[N+](=O)[O-] ZINC000188375059 510736886 /nfs/dbraw/zinc/73/68/86/510736886.db2.gz OTSQYLGYBLKFRS-UHFFFAOYSA-N 1 0 356.426 2.807 20 5 FFBDRO C[C@H](Nc1ccc(C(=O)NC[C@@H]2CCC[NH2+]2)cc1[N+](=O)[O-])c1ccccn1 ZINC000178721051 510737768 /nfs/dbraw/zinc/73/77/68/510737768.db2.gz OJLRRZVAESOPFQ-ZFWWWQNUSA-N 1 0 369.425 2.645 20 5 FFBDRO C[NH+](C)[C@@H](CNC(=O)CSc1ccc([N+](=O)[O-])cn1)c1ccccc1 ZINC000178766877 510761872 /nfs/dbraw/zinc/76/18/72/510761872.db2.gz HDOIUMNULVWJNU-HNNXBMFYSA-N 1 0 360.439 2.501 20 5 FFBDRO O=[N+]([O-])c1ccccc1OCC[NH2+][C@H](CN1CCOCC1)c1ccccc1 ZINC000182164444 510790267 /nfs/dbraw/zinc/79/02/67/510790267.db2.gz BVJJINVJBPLUDI-GOSISDBHSA-N 1 0 371.437 2.637 20 5 FFBDRO COc1ccc([C@@H](C)[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])cc1F ZINC000182179131 510798424 /nfs/dbraw/zinc/79/84/24/510798424.db2.gz ZYXBAAIRZRGHSB-OCCSQVGLSA-N 1 0 364.373 2.833 20 5 FFBDRO O=C(COc1cccc([N+](=O)[O-])c1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000247314223 510856570 /nfs/dbraw/zinc/85/65/70/510856570.db2.gz JOCPJSPSVQQKNU-UHFFFAOYSA-N 1 0 369.421 2.754 20 5 FFBDRO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000247504405 510863576 /nfs/dbraw/zinc/86/35/76/510863576.db2.gz XVFITMASNUQPND-IINYFYTJSA-N 1 0 370.247 2.816 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000285415680 510897671 /nfs/dbraw/zinc/89/76/71/510897671.db2.gz DIMAHPCRGTWKSC-NVXWUHKLSA-N 1 0 360.458 2.790 20 5 FFBDRO NC(=O)[C@H]([NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])c1ccccn1 ZINC000297314439 510899463 /nfs/dbraw/zinc/89/94/63/510899463.db2.gz NAFQNWZGRZVZSU-DHSIGJKJSA-N 1 0 354.410 2.517 20 5 FFBDRO Cc1[nH+]c2c(n1[C@H]1CCN(C(=O)c3cccc([N+](=O)[O-])c3N)C1)CCCC2 ZINC000275572394 510905478 /nfs/dbraw/zinc/90/54/78/510905478.db2.gz IGUUTFADYFAMOB-ZDUSSCGKSA-N 1 0 369.425 2.648 20 5 FFBDRO COCC[NH+](CCOC)C1CCN([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000285469804 510919338 /nfs/dbraw/zinc/91/93/38/510919338.db2.gz KLNKRUBKXRMKFL-MRXNPFEDSA-N 1 0 365.474 2.715 20 5 FFBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000364579555 510951824 /nfs/dbraw/zinc/95/18/24/510951824.db2.gz LSHAJJXEIMIBGH-CQSZACIVSA-N 1 0 367.833 2.714 20 5 FFBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000270933116 511029038 /nfs/dbraw/zinc/02/90/38/511029038.db2.gz LZURLSKJUSSRSG-LBPRGKRZSA-N 1 0 372.425 2.651 20 5 FFBDRO COc1cc(C(=O)NCCC[NH+]2CCC(C)CC2)c([N+](=O)[O-])cc1F ZINC000294329418 511029478 /nfs/dbraw/zinc/02/94/78/511029478.db2.gz HZNREQHRJXTXKE-UHFFFAOYSA-N 1 0 353.394 2.594 20 5 FFBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2nn(C)cc2[N+](=O)[O-])cc1 ZINC000271099426 511082572 /nfs/dbraw/zinc/08/25/72/511082572.db2.gz JUKKCDBHZUDHLE-CQSZACIVSA-N 1 0 371.441 2.633 20 5 FFBDRO O=C1CC2(CN1)CC[NH+](Cc1ccc(-c3cccc([N+](=O)[O-])c3)o1)CC2 ZINC000271202070 511118372 /nfs/dbraw/zinc/11/83/72/511118372.db2.gz UTRHDEURUREKKX-UHFFFAOYSA-N 1 0 355.394 2.957 20 5 FFBDRO CN(C)c1cc(F)c(C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000294747957 511164645 /nfs/dbraw/zinc/16/46/45/511164645.db2.gz AIEALWYJOANUPQ-ZDUSSCGKSA-N 1 0 364.421 2.500 20 5 FFBDRO CCC[C@H]([NH2+][C@H]1CCN(C2CCOCC2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000362303856 511164797 /nfs/dbraw/zinc/16/47/97/511164797.db2.gz NUXVETDQKVFORK-ROUUACIJSA-N 1 0 361.442 2.806 20 5 FFBDRO C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2Br)CCN(C2CC2)C1 ZINC000294856973 511200281 /nfs/dbraw/zinc/20/02/81/511200281.db2.gz CSIHHYDGWQOCQL-JTQLQIEISA-N 1 0 355.236 2.673 20 5 FFBDRO CCOC(=O)[C@@H](C)[C@H](C)[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000283068959 511222044 /nfs/dbraw/zinc/22/20/44/511222044.db2.gz JYASAZNEFSPGFI-STQMWFEESA-N 1 0 361.398 2.970 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2nc(CNC[C@H]3C[N@@H+]4CCC[C@@H]4CO3)cs2)c1 ZINC000362719299 511224710 /nfs/dbraw/zinc/22/47/10/511224710.db2.gz IGTGPQPUVQPKDS-SJORKVTESA-N 1 0 374.466 2.671 20 5 FFBDRO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](C3CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000362776421 511236154 /nfs/dbraw/zinc/23/61/54/511236154.db2.gz UZUNJGCMPSLDGW-ZBFHGGJFSA-N 1 0 361.442 2.979 20 5 FFBDRO COc1cc(C[N@@H+]2CCC[C@](C)(O)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000279854679 511241255 /nfs/dbraw/zinc/24/12/55/511241255.db2.gz BFNJCFZBFBYOQQ-INIZCTEOSA-N 1 0 360.357 2.942 20 5 FFBDRO CC1CC[NH+](C[C@H]2CCCN(c3ccc(C(N)=O)cc3[N+](=O)[O-])C2)CC1 ZINC000271618686 511265285 /nfs/dbraw/zinc/26/52/85/511265285.db2.gz LRNSULQEPAHCPN-OAHLLOKOSA-N 1 0 360.458 2.642 20 5 FFBDRO Cc1nc(N(C)CCC2CCN(c3cc[nH+]cc3)CC2)ncc1[N+](=O)[O-] ZINC000295108922 511284573 /nfs/dbraw/zinc/28/45/73/511284573.db2.gz VCFJJQMBAXHVHV-UHFFFAOYSA-N 1 0 356.430 2.831 20 5 FFBDRO C[C@H](NC(=O)[C@@H]1CN(Cc2ccccc2)CCO1)c1ccccc1[N+](=O)[O-] ZINC000271691616 511289512 /nfs/dbraw/zinc/28/95/12/511289512.db2.gz ISCCKZIVGDPSSW-KXBFYZLASA-N 1 0 369.421 2.673 20 5 FFBDRO C[C@H]1[C@@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000291678539 511294683 /nfs/dbraw/zinc/29/46/83/511294683.db2.gz CCGRDFZDNIAUAR-BBRMVZONSA-N 1 0 354.410 2.570 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]([C@H](C)CO)C1CCCC1 ZINC000298491752 511303320 /nfs/dbraw/zinc/30/33/20/511303320.db2.gz JOMYVAWYSTUZOM-CYBMUJFWSA-N 1 0 365.430 2.557 20 5 FFBDRO CC(C)(CCC(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1)[N+](=O)[O-] ZINC000295305929 511357461 /nfs/dbraw/zinc/35/74/61/511357461.db2.gz ONLVNRJWGXOUBH-FQEVSTJZSA-N 1 0 359.470 2.947 20 5 FFBDRO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H]2[C@@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000298667494 511368714 /nfs/dbraw/zinc/36/87/14/511368714.db2.gz YHBKQLQPQKGCEC-WBVHZDCISA-N 1 0 363.414 2.575 20 5 FFBDRO CS(=O)(=O)c1cccc(Cl)c1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000272056835 511416258 /nfs/dbraw/zinc/41/62/58/511416258.db2.gz BGEYHSZBFFUWHU-UHFFFAOYSA-N 1 0 368.842 2.984 20 5 FFBDRO COc1ccc(OCC[N@@H+]2CC[C@@](CO)(c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000292023462 511434948 /nfs/dbraw/zinc/43/49/48/511434948.db2.gz YMYUEPUXBILDAS-HXUWFJFHSA-N 1 0 372.421 2.618 20 5 FFBDRO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CC[N@@H+](C2CC2)C1 ZINC000295756999 511506432 /nfs/dbraw/zinc/50/64/32/511506432.db2.gz VMGXATLJYHZHAR-HNNXBMFYSA-N 1 0 372.469 2.751 20 5 FFBDRO C[C@H]1CN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC[N@@H+](C2CCC2)C1 ZINC000292235936 511516915 /nfs/dbraw/zinc/51/69/15/511516915.db2.gz CSLLFSXZPMMONB-CQSZACIVSA-N 1 0 370.453 2.951 20 5 FFBDRO O=C(Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)c1ccc([N+](=O)[O-])[nH]1 ZINC000299132656 511527395 /nfs/dbraw/zinc/52/73/95/511527395.db2.gz PYVXMFYAWGUGEK-UHFFFAOYSA-N 1 0 369.425 2.707 20 5 FFBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000283957904 511556715 /nfs/dbraw/zinc/55/67/15/511556715.db2.gz LKODCGLINFTHLH-NSHDSACASA-N 1 0 370.247 2.832 20 5 FFBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3)C2)C1 ZINC000292331829 511556485 /nfs/dbraw/zinc/55/64/85/511556485.db2.gz UGKIFSNCZPRHTA-HNNXBMFYSA-N 1 0 368.231 2.525 20 5 FFBDRO COc1ccc(CNC(=O)NCCCCCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000299270660 511573709 /nfs/dbraw/zinc/57/37/09/511573709.db2.gz VFSAHMPTWXRDFG-UHFFFAOYSA-N 1 0 366.462 2.915 20 5 FFBDRO C[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1OCCc2sccc21 ZINC000292457690 511603976 /nfs/dbraw/zinc/60/39/76/511603976.db2.gz QBGUIYYAKOFQGO-QLJPJBMISA-N 1 0 361.423 2.547 20 5 FFBDRO CC[N@H+](CCNC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])C1CC1 ZINC000280897053 511645324 /nfs/dbraw/zinc/64/53/24/511645324.db2.gz HEVLXOCTBCYIIQ-UHFFFAOYSA-N 1 0 354.410 2.871 20 5 FFBDRO Cn1cc([N+](=O)[O-])c(-c2nc(-c3cccc(C[NH+]4CCCC4)c3)no2)n1 ZINC000273978038 511678602 /nfs/dbraw/zinc/67/86/02/511678602.db2.gz XODGDFYNQFNKRX-UHFFFAOYSA-N 1 0 354.370 2.641 20 5 FFBDRO CC[N@H+](C)CCNC(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000303653304 511746842 /nfs/dbraw/zinc/74/68/42/511746842.db2.gz XLCQQALHLURLON-GASCZTMLSA-N 1 0 362.474 2.759 20 5 FFBDRO C[N@@H+]1CC[C@@H]2OCCN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)[C@H]2C1 ZINC000284550284 511768580 /nfs/dbraw/zinc/76/85/80/511768580.db2.gz HHLDLYHSLCXYIK-HKUYNNGSSA-N 1 0 357.410 2.760 20 5 FFBDRO CN(CCC[NH+]1CCCC1)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000281255394 511777172 /nfs/dbraw/zinc/77/71/72/511777172.db2.gz MUGNIWDSYXFVLR-UHFFFAOYSA-N 1 0 357.458 2.913 20 5 FFBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1N)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000313072432 511786831 /nfs/dbraw/zinc/78/68/31/511786831.db2.gz VPYPMRJWGUBJNJ-HOCLYGCPSA-N 1 0 368.437 2.817 20 5 FFBDRO C[C@H]([NH2+]CCOc1cccc(S(C)(=O)=O)c1)c1ccc([N+](=O)[O-])cc1 ZINC000296538183 511787653 /nfs/dbraw/zinc/78/76/53/511787653.db2.gz DUVDJVNHCJGCKN-ZDUSSCGKSA-N 1 0 364.423 2.728 20 5 FFBDRO CNc1c(C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000323745837 511831475 /nfs/dbraw/zinc/83/14/75/511831475.db2.gz RCNGCDVWJXNYCP-UHFFFAOYSA-N 1 0 368.437 2.985 20 5 FFBDRO [NH3+][C@H]1CCc2nc(NC(=O)c3c(Cl)cccc3[N+](=O)[O-])sc2C1 ZINC000323962445 511832930 /nfs/dbraw/zinc/83/29/30/511832930.db2.gz ARHYGCOHIVLJEH-ZETCQYMHSA-N 1 0 352.803 2.773 20 5 FFBDRO C[N@@H+]1CC[C@@H]2OCCN(Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)[C@H]2C1 ZINC000284734932 511844175 /nfs/dbraw/zinc/84/41/75/511844175.db2.gz WBRPACSDOKFBNM-IRXDYDNUSA-N 1 0 374.466 2.623 20 5 FFBDRO C[C@H]1CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+](C2CC2)C1 ZINC000296699629 511859812 /nfs/dbraw/zinc/85/98/12/511859812.db2.gz KTXZQYQRQITJRK-LBPRGKRZSA-N 1 0 366.849 2.603 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[N@@H+](C(C)C)C2)cc1SC ZINC000274525138 511863496 /nfs/dbraw/zinc/86/34/96/511863496.db2.gz SSYLZSYKZVWBPL-GFCCVEGCSA-N 1 0 367.471 2.928 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCCO[C@@H](C(C)C)C1 ZINC000293184527 511873153 /nfs/dbraw/zinc/87/31/53/511873153.db2.gz PVSMCQGOIMXBLZ-SUMWQHHRSA-N 1 0 365.430 2.677 20 5 FFBDRO Cc1c(NC(=O)[C@H](C)N2CC[N@@H+](C3CC3)C[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000296801147 511903541 /nfs/dbraw/zinc/90/35/41/511903541.db2.gz UECRVMFMPWIILU-ZFWWWQNUSA-N 1 0 360.458 2.646 20 5 FFBDRO Cc1ccc([C@@H](C)[NH2+]Cc2cccc(N3CCOCC3)n2)cc1[N+](=O)[O-] ZINC000274787984 511941950 /nfs/dbraw/zinc/94/19/50/511941950.db2.gz MRLMWXMMRHMGBZ-OAHLLOKOSA-N 1 0 356.426 2.986 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000281880842 511999061 /nfs/dbraw/zinc/99/90/61/511999061.db2.gz GFDHKYZXBQTVLU-CHWSQXEVSA-N 1 0 350.419 2.940 20 5 FFBDRO Cc1ccc([C@@H](C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)N2CCOCC2)o1 ZINC000293609407 512025743 /nfs/dbraw/zinc/02/57/43/512025743.db2.gz GNGJDHXFQCMVHT-RDTXWAMCSA-N 1 0 374.441 2.803 20 5 FFBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@H](O)COCc1cccs1 ZINC000285328495 512078398 /nfs/dbraw/zinc/07/83/98/512078398.db2.gz NQKJJXFEFJVARE-HNNXBMFYSA-N 1 0 350.440 2.708 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000371536360 512453079 /nfs/dbraw/zinc/45/30/79/512453079.db2.gz UOPYNQWSMQNPFE-INIZCTEOSA-N 1 0 354.410 2.747 20 5 FFBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CCC2(C1)CC[NH2+]CC2 ZINC000367383916 512472938 /nfs/dbraw/zinc/47/29/38/512472938.db2.gz JOQIPEGFNDBGEE-UHFFFAOYSA-N 1 0 367.833 2.619 20 5 FFBDRO O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000378225515 512648382 /nfs/dbraw/zinc/64/83/82/512648382.db2.gz LHBVWCUQHTZLSR-SFHVURJKSA-N 1 0 372.469 2.799 20 5 FFBDRO Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000378540254 512814410 /nfs/dbraw/zinc/81/44/10/512814410.db2.gz KBRCJKDKXUCWIR-MRXNPFEDSA-N 1 0 368.437 2.819 20 5 FFBDRO Cn1ccnc1[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000368137233 512818075 /nfs/dbraw/zinc/81/80/75/512818075.db2.gz YKUHLSSWYYGSMP-LLVKDONJSA-N 1 0 352.341 2.919 20 5 FFBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000372330093 512818581 /nfs/dbraw/zinc/81/85/81/512818581.db2.gz DRZXIVZSRBBWNB-YJBOKZPZSA-N 1 0 358.442 2.896 20 5 FFBDRO CCOC(=O)CC(C)(C)CC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000376506504 512847668 /nfs/dbraw/zinc/84/76/68/512847668.db2.gz LCHUSVNRJFRTNK-UHFFFAOYSA-N 1 0 352.435 2.798 20 5 FFBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3Br)C[C@H]21 ZINC000368255006 512867454 /nfs/dbraw/zinc/86/74/54/512867454.db2.gz QUADRAYZSZJKCF-MRCXROJRSA-N 1 0 368.231 2.557 20 5 FFBDRO O=C(CC[N@@H+]1C[C@@H](O)C[C@@H]1c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000411920923 512875473 /nfs/dbraw/zinc/87/54/73/512875473.db2.gz CUAIMRAAEPBEFY-MAUKXSAKSA-N 1 0 355.394 2.731 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@](CO)(c3ccccc3)C2)c1 ZINC000374531874 512877347 /nfs/dbraw/zinc/87/73/47/512877347.db2.gz SXXDQKHSZOELGS-UXHICEINSA-N 1 0 356.422 2.654 20 5 FFBDRO COc1cc(CN2CCOCC[C@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000370358115 512891938 /nfs/dbraw/zinc/89/19/38/512891938.db2.gz FMLRNXCPRFQLJC-LLVKDONJSA-N 1 0 360.357 2.858 20 5 FFBDRO COc1ccc(NC(=O)CC[NH2+][C@@H](C)[C@](C)(OC)C2CC2)c([N+](=O)[O-])c1 ZINC000411970976 512895688 /nfs/dbraw/zinc/89/56/88/512895688.db2.gz OBRNYODRIDHTCW-SGTLLEGYSA-N 1 0 365.430 2.725 20 5 FFBDRO COC(=O)c1cn([C@H]2CCC[N@@H+]([C@H](C)c3cc([N+](=O)[O-])ccc3C)C2)nn1 ZINC000368356453 512912102 /nfs/dbraw/zinc/91/21/02/512912102.db2.gz AOFWSSUYXXFJPK-HIFRSBDPSA-N 1 0 373.413 2.679 20 5 FFBDRO COc1ccc(NC(=O)C[NH2+][C@H]2CCc3ccccc3OC2)c([N+](=O)[O-])c1 ZINC000374620765 512921054 /nfs/dbraw/zinc/92/10/54/512921054.db2.gz ODOGKIMEVTUSOP-AWEZNQCLSA-N 1 0 371.393 2.525 20 5 FFBDRO Cc1cn2c(n1)CN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)CC2 ZINC000374665170 512944819 /nfs/dbraw/zinc/94/48/19/512944819.db2.gz UHXVEQDMBMVDMX-UHFFFAOYSA-N 1 0 365.187 2.518 20 5 FFBDRO CC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000374787872 513003271 /nfs/dbraw/zinc/00/32/71/513003271.db2.gz KJWOVQCLIBMXEN-OAHLLOKOSA-N 1 0 357.414 2.964 20 5 FFBDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000374793958 513006810 /nfs/dbraw/zinc/00/68/10/513006810.db2.gz NBXYEAZDOHZIAD-AWEZNQCLSA-N 1 0 372.400 2.663 20 5 FFBDRO C[C@H](NC(=O)c1ccc([N+](=O)[O-])cn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000374881058 513052727 /nfs/dbraw/zinc/05/27/27/513052727.db2.gz VYDIYBQKKOSPFG-HOCLYGCPSA-N 1 0 354.410 2.630 20 5 FFBDRO O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415182580 513137306 /nfs/dbraw/zinc/13/73/06/513137306.db2.gz BLWXLSQBCQLOQS-FVQHAEBGSA-N 1 0 354.366 2.726 20 5 FFBDRO Cc1nc(N(CC[NH+](C)C)Cc2ccc(F)cc2F)ncc1[N+](=O)[O-] ZINC000450374006 513165291 /nfs/dbraw/zinc/16/52/91/513165291.db2.gz BJNNAAADGRUPPT-UHFFFAOYSA-N 1 0 351.357 2.540 20 5 FFBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CCC2(C1)CC[NH2+]CC2 ZINC000417710521 513176595 /nfs/dbraw/zinc/17/65/95/513176595.db2.gz CFUVNKBNCVAFKW-UHFFFAOYSA-N 1 0 360.458 2.703 20 5 FFBDRO Cc1ccc(NCCCNC(=O)NC[C@H]([NH3+])c2ccccc2)c([N+](=O)[O-])c1 ZINC000417711022 513176805 /nfs/dbraw/zinc/17/68/05/513176805.db2.gz CTUDMQYXHDYIIS-INIZCTEOSA-N 1 0 371.441 2.704 20 5 FFBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)NCCCCc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000417714915 513177351 /nfs/dbraw/zinc/17/73/51/513177351.db2.gz IAEAVUGWACLVKA-CGTJXYLNSA-N 1 0 360.458 2.686 20 5 FFBDRO Cc1ccc(NCCCNC(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000417716688 513177359 /nfs/dbraw/zinc/17/73/59/513177359.db2.gz LSTAZAIIGLNQTP-CABCVRRESA-N 1 0 363.462 2.522 20 5 FFBDRO NC(=O)[C@H]1CC[C@H](C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000421365054 513238179 /nfs/dbraw/zinc/23/81/79/513238179.db2.gz TXWVKACESHUNOI-XYPYZODXSA-N 1 0 357.357 2.578 20 5 FFBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@H](C)C1 ZINC000428992581 513242446 /nfs/dbraw/zinc/24/24/46/513242446.db2.gz BHAUZZYUBWEZOP-CKEIUWERSA-N 1 0 371.441 2.807 20 5 FFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@@H]2CCc3nnnn3CC2)s1 ZINC000421392520 513246651 /nfs/dbraw/zinc/24/66/51/513246651.db2.gz CCQYHRCJYLZONY-GFCCVEGCSA-N 1 0 370.438 2.805 20 5 FFBDRO COc1ccc(NC(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000415430650 513257671 /nfs/dbraw/zinc/25/76/71/513257671.db2.gz CSAMDHDSPODRBD-HIFRSBDPSA-N 1 0 362.430 2.989 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000421436900 513262989 /nfs/dbraw/zinc/26/29/89/513262989.db2.gz UJOOGOZHAATAEC-UHFFFAOYSA-N 1 0 369.425 2.611 20 5 FFBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000417939173 513292337 /nfs/dbraw/zinc/29/23/37/513292337.db2.gz KFSWXBAQFJOKLJ-WMZOPIPTSA-N 1 0 360.458 2.701 20 5 FFBDRO CSC1(CNC(=O)c2cc([N+](=O)[O-])c(C)cc2C)CC[NH+](C)CC1 ZINC000421559281 513308137 /nfs/dbraw/zinc/30/81/37/513308137.db2.gz PJVALXWRPDCMIQ-UHFFFAOYSA-N 1 0 351.472 2.769 20 5 FFBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@H]2Cc3cccc(O)c3C2)cccc1[N+](=O)[O-] ZINC000429312975 513335958 /nfs/dbraw/zinc/33/59/58/513335958.db2.gz PJIGRJNKGOWWMB-JSGCOSHPSA-N 1 0 355.394 2.693 20 5 FFBDRO CC(C)C[C@@H](C[NH3+])NC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000429341350 513346428 /nfs/dbraw/zinc/34/64/28/513346428.db2.gz ZUFAZECKCUGJEM-ZBFHGGJFSA-N 1 0 362.474 2.934 20 5 FFBDRO Cc1c(NC(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)cc(Br)cc1[N+](=O)[O-] ZINC000415653746 513363597 /nfs/dbraw/zinc/36/35/97/513363597.db2.gz ILRZQPYGQAPEHT-LDYMZIIASA-N 1 0 371.235 2.867 20 5 FFBDRO Cc1c(NC(=O)N2C[C@H](C[NH3+])C[C@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC000415657309 513365952 /nfs/dbraw/zinc/36/59/52/513365952.db2.gz METXAYBVIOBWQK-SCZZXKLOSA-N 1 0 371.235 2.867 20 5 FFBDRO Cc1c(NC(=O)N2C[C@@H](C[NH3+])C[C@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC000415657308 513366311 /nfs/dbraw/zinc/36/63/11/513366311.db2.gz METXAYBVIOBWQK-PSASIEDQSA-N 1 0 371.235 2.867 20 5 FFBDRO CCOC(=O)CC1([NH2+]CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CCCC1 ZINC000434609653 513367168 /nfs/dbraw/zinc/36/71/68/513367168.db2.gz TUIWYOGFFNBFPG-UHFFFAOYSA-N 1 0 363.414 2.697 20 5 FFBDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000418088947 513368156 /nfs/dbraw/zinc/36/81/56/513368156.db2.gz LGSCXJFIQGPCTQ-CMPLNLGQSA-N 1 0 374.363 2.882 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CC[NH+](C)C)C1CCCCC1 ZINC000429410452 513370304 /nfs/dbraw/zinc/37/03/04/513370304.db2.gz XZTWWUGFMAPQJP-UHFFFAOYSA-N 1 0 369.487 2.788 20 5 FFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CCCCN1C1CC1 ZINC000446976935 513372663 /nfs/dbraw/zinc/37/26/63/513372663.db2.gz ZEDUSGDRFVWYLG-RDTXWAMCSA-N 1 0 360.458 2.918 20 5 FFBDRO Cc1cc(N2CCN(c3nccnc3C)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000440656588 513373426 /nfs/dbraw/zinc/37/34/26/513373426.db2.gz UDQPZTXKUSFTJU-UHFFFAOYSA-N 1 0 364.409 2.876 20 5 FFBDRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000418121605 513380588 /nfs/dbraw/zinc/38/05/88/513380588.db2.gz XGPFNDQHPGTYPX-GJZGRUSLSA-N 1 0 359.426 2.742 20 5 FFBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000421711381 513381671 /nfs/dbraw/zinc/38/16/71/513381671.db2.gz ONQPRGNPWHPNSF-NSHDSACASA-N 1 0 370.247 2.832 20 5 FFBDRO COc1cc(C(=O)NCc2ccc([C@@H](C)[NH3+])cc2)c([N+](=O)[O-])cc1OC ZINC000429496674 513392564 /nfs/dbraw/zinc/39/25/64/513392564.db2.gz NBXOTBRXNDSSOB-LLVKDONJSA-N 1 0 359.382 2.562 20 5 FFBDRO C[NH2+]CC1CCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000415710505 513393732 /nfs/dbraw/zinc/39/37/32/513393732.db2.gz ZGOBJTQDRHBABP-UHFFFAOYSA-N 1 0 371.235 2.821 20 5 FFBDRO Cc1ccc(C)c(S(=O)(=O)NCc2ccc([C@@H](C)[NH3+])cc2)c1[N+](=O)[O-] ZINC000440730291 513394152 /nfs/dbraw/zinc/39/41/52/513394152.db2.gz ATXYLRBXZXWLEF-CYBMUJFWSA-N 1 0 363.439 2.710 20 5 FFBDRO CCN1CC[NH+](CC(C)(C)Nc2ccc([N+](=O)[O-])c3cnccc23)CC1 ZINC000450921492 513406351 /nfs/dbraw/zinc/40/63/51/513406351.db2.gz IFXJZLZOQHSHFV-UHFFFAOYSA-N 1 0 357.458 2.971 20 5 FFBDRO O=[N+]([O-])c1cnc(N2CCC(C[NH+]3CCOCC3)CC2)c(C(F)(F)F)c1 ZINC000413055781 513412819 /nfs/dbraw/zinc/41/28/19/513412819.db2.gz BIWXUHPBQFYMHL-UHFFFAOYSA-N 1 0 374.363 2.557 20 5 FFBDRO CC(C)(NC(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2)c1ccccc1[N+](=O)[O-] ZINC000415954809 513497713 /nfs/dbraw/zinc/49/77/13/513497713.db2.gz GZRYCNMSMBEKDR-ZDUSSCGKSA-N 1 0 369.425 2.863 20 5 FFBDRO C[NH2+]Cc1ccc(NC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000415969554 513506252 /nfs/dbraw/zinc/50/62/52/513506252.db2.gz GHKNXGDNGABMMP-UHFFFAOYSA-N 1 0 369.425 2.668 20 5 FFBDRO CC[NH+]1CCC(N2CCCN(C(=O)c3ccc([N+](=O)[O-])c(C)c3)CC2)CC1 ZINC000422005936 513516068 /nfs/dbraw/zinc/51/60/68/513516068.db2.gz KNJWVRNTOCGCES-UHFFFAOYSA-N 1 0 374.485 2.535 20 5 FFBDRO O=C1CC[C@@H]([NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])[C@@H](C2CC2)N1 ZINC000425447803 513572137 /nfs/dbraw/zinc/57/21/37/513572137.db2.gz SXDUTAZZOXLMLC-IUODEOHRSA-N 1 0 368.231 2.504 20 5 FFBDRO COCC[N@@H+]1CCC[C@H]1CNc1c(Cl)cc([N+](=O)[O-])cc1C(=O)OC ZINC000447802622 513573191 /nfs/dbraw/zinc/57/31/91/513573191.db2.gz MAGZXCOHBPTTTA-NSHDSACASA-N 1 0 371.821 2.558 20 5 FFBDRO CCCN(CCN1CC[NH+](CC)CC1)c1nccc2ccc([N+](=O)[O-])cc21 ZINC000413306614 513583011 /nfs/dbraw/zinc/58/30/11/513583011.db2.gz YPERZQORNFAIHW-UHFFFAOYSA-N 1 0 371.485 2.997 20 5 FFBDRO CCNC(=O)[C@@H]([NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])C(C)C ZINC000425483629 513591773 /nfs/dbraw/zinc/59/17/73/513591773.db2.gz RRBUUALTUGXNHO-ZDUSSCGKSA-N 1 0 358.236 2.608 20 5 FFBDRO Cc1cc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)n(C2CC[NH+](C)CC2)n1 ZINC000430448466 513656562 /nfs/dbraw/zinc/65/65/62/513656562.db2.gz LQYBFWPVJNBKJJ-UHFFFAOYSA-N 1 0 357.414 2.927 20 5 FFBDRO Cc1cc(OCC(=O)N2C[C@H]([NH+](C)C)Cc3ccccc32)ccc1[N+](=O)[O-] ZINC000430531173 513677453 /nfs/dbraw/zinc/67/74/53/513677453.db2.gz UGRVQHHSLSDTHV-MRXNPFEDSA-N 1 0 369.421 2.802 20 5 FFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC(OCCC[NH3+])CC1 ZINC000430588300 513697668 /nfs/dbraw/zinc/69/76/68/513697668.db2.gz CYNXTKCXJUNQJP-UHFFFAOYSA-N 1 0 351.447 2.712 20 5 FFBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)[C@@H](C)C[N@@H+]1CCO ZINC000418993580 513710271 /nfs/dbraw/zinc/71/02/71/513710271.db2.gz HCHVNPXWVHKTED-KGLIPLIRSA-N 1 0 374.416 2.687 20 5 FFBDRO C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])n2C)CC[N@@H+]1Cc1ccccc1 ZINC000430662861 513715425 /nfs/dbraw/zinc/71/54/25/513715425.db2.gz KSFDTVUAOZOSFK-GDBMZVCRSA-N 1 0 356.426 2.716 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCC[C@@H]3[C@@H]3CCC[C@@H]3O)o2)cc1 ZINC000451413370 513734203 /nfs/dbraw/zinc/73/42/03/513734203.db2.gz GYWMJTHVVZRYPU-XHSDSOJGSA-N 1 0 358.398 2.770 20 5 FFBDRO COc1ccc(OCC[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)c([N+](=O)[O-])c1 ZINC000451429465 513745899 /nfs/dbraw/zinc/74/58/99/513745899.db2.gz XJFUIENKAIMNBX-ZMSDIMECSA-N 1 0 350.415 2.608 20 5 FFBDRO [NH3+]CC[C@@H]1CCCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000442630502 513747980 /nfs/dbraw/zinc/74/79/80/513747980.db2.gz VRXBZBZYWAWAGA-LBPRGKRZSA-N 1 0 355.822 2.605 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)[C@@H](C)C1 ZINC000416406204 513754708 /nfs/dbraw/zinc/75/47/08/513754708.db2.gz FCGKTBUNWDOOMI-LSDHHAIUSA-N 1 0 369.487 2.562 20 5 FFBDRO COc1ccc(OCC[NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)c([N+](=O)[O-])c1 ZINC000451477166 513774047 /nfs/dbraw/zinc/77/40/47/513774047.db2.gz HITQEOZKFKVZDP-XYPHTWIQSA-N 1 0 350.415 2.775 20 5 FFBDRO Cc1cc(S(=O)(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)c(C)cc1[N+](=O)[O-] ZINC000416460084 513782372 /nfs/dbraw/zinc/78/23/72/513782372.db2.gz UNPFMQWYLKUXMB-CQSZACIVSA-N 1 0 369.487 2.562 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2noc(CN3CC[NH2+]CC34CCCCC4)n2)cc1 ZINC000431073335 513820384 /nfs/dbraw/zinc/82/03/84/513820384.db2.gz JLMCSNMSDYVOHD-UHFFFAOYSA-N 1 0 357.414 2.753 20 5 FFBDRO C[C@H]1C[C@H](NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC[N@@H+]1C ZINC000426068455 513839773 /nfs/dbraw/zinc/83/97/73/513839773.db2.gz YHYBJVIRRUYHLJ-GXFFZTMASA-N 1 0 374.363 2.896 20 5 FFBDRO CC(C)[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H](CO)C(C)C ZINC000451596750 513856618 /nfs/dbraw/zinc/85/66/18/513856618.db2.gz LVDQKLGUXSQVEP-FUHWJXTLSA-N 1 0 351.447 2.802 20 5 FFBDRO CC(C)[C@H](CO)[C@@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)C(C)C ZINC000451600770 513859499 /nfs/dbraw/zinc/85/94/99/513859499.db2.gz SQXRKPRTJKNONQ-KSZLIROESA-N 1 0 363.458 2.579 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2noc(C[NH2+][C@H]([C@@H](CO)C3CC3)C3CC3)n2)cc1 ZINC000451600727 513860220 /nfs/dbraw/zinc/86/02/20/513860220.db2.gz HJPIACYOYCLGSK-RDJZCZTQSA-N 1 0 358.398 2.532 20 5 FFBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000448723773 513866898 /nfs/dbraw/zinc/86/68/98/513866898.db2.gz IVAJDXYFKRMOSJ-VXGBXAGGSA-N 1 0 357.332 2.970 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N2c3ccccc3C[C@@H]2C[NH3+])cc1SC ZINC000422630950 513882022 /nfs/dbraw/zinc/88/20/22/513882022.db2.gz ZORXMBQCTANDHT-GFCCVEGCSA-N 1 0 373.434 2.856 20 5 FFBDRO O=C(NCC[C@H]1CC[NH2+]C1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000422804038 513937033 /nfs/dbraw/zinc/93/70/33/513937033.db2.gz GYYQWJFCRNLQQV-GFCCVEGCSA-N 1 0 353.397 2.550 20 5 FFBDRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000422857400 513955094 /nfs/dbraw/zinc/95/50/94/513955094.db2.gz HIZQZPFPGCARIM-CMPLNLGQSA-N 1 0 357.863 2.974 20 5 FFBDRO O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)NCCC[NH2+]C1CCCCC1 ZINC000419895888 513962799 /nfs/dbraw/zinc/96/27/99/513962799.db2.gz PJPNFMWXMUALLJ-UHFFFAOYSA-N 1 0 361.442 2.986 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000426881550 514066903 /nfs/dbraw/zinc/06/69/03/514066903.db2.gz JVXDQDHRECJWBO-MRXNPFEDSA-N 1 0 357.410 2.506 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H](Nc1ccc(N3CC[NH2+]CC3)cn1)CCC2 ZINC000423236184 514088257 /nfs/dbraw/zinc/08/82/57/514088257.db2.gz RTFMTQKQHPAXBS-SFHVURJKSA-N 1 0 353.426 2.889 20 5 FFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420328861 514096908 /nfs/dbraw/zinc/09/69/08/514096908.db2.gz NEDNUSOWSOXSGD-INIZCTEOSA-N 1 0 363.458 2.569 20 5 FFBDRO C[NH+](C)C1CCN(C(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)CC1 ZINC000444010863 514099203 /nfs/dbraw/zinc/09/92/03/514099203.db2.gz OEXYVOZMBCTTTB-UHFFFAOYSA-N 1 0 367.424 2.987 20 5 FFBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444035228 514105899 /nfs/dbraw/zinc/10/58/99/514105899.db2.gz JBSDIZJFLNUTFU-GFCCVEGCSA-N 1 0 371.387 2.784 20 5 FFBDRO COC(=O)[C@@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])C[C@@H]1c1ccccc1 ZINC000452005157 514129861 /nfs/dbraw/zinc/12/98/61/514129861.db2.gz LQKWGCLBVUYQAA-IAGOWNOFSA-N 1 0 370.405 2.862 20 5 FFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])NC[C@]1(COC)CCC[NH2+]1 ZINC000423414893 514135074 /nfs/dbraw/zinc/13/50/74/514135074.db2.gz OAYHSWUDDAIEEJ-PBHICJAKSA-N 1 0 353.488 2.824 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2noc(CN3CC[NH2+]C[C@H]3c3ccccc3)n2)c1 ZINC000420409770 514137033 /nfs/dbraw/zinc/13/70/33/514137033.db2.gz QVCVBWWICVATOT-KRWDZBQOSA-N 1 0 365.393 2.791 20 5 FFBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437345549 514145424 /nfs/dbraw/zinc/14/54/24/514145424.db2.gz LEJYLWNQWNBMQR-XPTSAGLGSA-N 1 0 357.332 2.826 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000449323393 514166906 /nfs/dbraw/zinc/16/69/06/514166906.db2.gz UVOKHSBOPSGAHE-NVXWUHKLSA-N 1 0 360.458 2.796 20 5 FFBDRO CC1CCN(c2ccc(C(=O)NCC[C@H]3CCC[NH2+]3)cc2[N+](=O)[O-])CC1 ZINC000444266191 514172245 /nfs/dbraw/zinc/17/22/45/514172245.db2.gz HTRKNUZVNLAEDQ-MRXNPFEDSA-N 1 0 360.458 2.703 20 5 FFBDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000423617366 514185244 /nfs/dbraw/zinc/18/52/44/514185244.db2.gz SYXXQPHQFBMRNE-ZBEGNZNMSA-N 1 0 353.397 2.691 20 5 FFBDRO NC(=O)c1cccc([N+](=O)[O-])c1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000420585804 514192646 /nfs/dbraw/zinc/19/26/46/514192646.db2.gz NCQBOCKPKTVMSY-UHFFFAOYSA-N 1 0 372.400 2.545 20 5 FFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2 ZINC000423651962 514194058 /nfs/dbraw/zinc/19/40/58/514194058.db2.gz WPXMCZSJYHSJNK-VIFPVBQESA-N 1 0 362.411 2.518 20 5 FFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Nc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420601934 514197548 /nfs/dbraw/zinc/19/75/48/514197548.db2.gz AKIBCHRISHFJPG-CJNGLKHVSA-N 1 0 354.410 2.626 20 5 FFBDRO NC(=O)c1cccc([N+](=O)[O-])c1NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000420601219 514197634 /nfs/dbraw/zinc/19/76/34/514197634.db2.gz NDVQRGZMSYRDPC-OAHLLOKOSA-N 1 0 354.410 2.770 20 5 FFBDRO CC[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C12CC3CC(CC(C3)C1)C2 ZINC000437645542 514200910 /nfs/dbraw/zinc/20/09/10/514200910.db2.gz JXPAICYILRDLLV-MJOWWPKISA-N 1 0 362.474 2.737 20 5 FFBDRO CO[C@H]1COCC[C@@H]1C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000449452473 514215883 /nfs/dbraw/zinc/21/58/83/514215883.db2.gz GAQQBOIWGFJDKB-CJNGLKHVSA-N 1 0 363.439 2.859 20 5 FFBDRO C[C@@H]1CN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CC[N@@H+](C2CC2)C1 ZINC000452167760 514225394 /nfs/dbraw/zinc/22/53/94/514225394.db2.gz CGVFRKMJDLAOGR-ZDUSSCGKSA-N 1 0 363.433 2.954 20 5 FFBDRO O=C(CNc1ccccc1[N+](=O)[O-])NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000437856105 514252181 /nfs/dbraw/zinc/25/21/81/514252181.db2.gz TVVSFUFBGONGAU-MRXNPFEDSA-N 1 0 360.458 2.920 20 5 FFBDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000427617121 514265969 /nfs/dbraw/zinc/26/59/69/514265969.db2.gz CXORUZKFABCJFD-RDTXWAMCSA-N 1 0 368.437 2.935 20 5 FFBDRO CC[C@H](C)[NH+]1CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000449624320 514272789 /nfs/dbraw/zinc/27/27/89/514272789.db2.gz NKMFHYIRNNUVLQ-HNNXBMFYSA-N 1 0 357.458 2.911 20 5 FFBDRO CC1(C)CCC[N@H+](CCNC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000444616387 514273820 /nfs/dbraw/zinc/27/38/20/514273820.db2.gz IMRIKTMATUMWKW-UHFFFAOYSA-N 1 0 372.425 2.700 20 5 FFBDRO CCOc1cc(NC(=O)NCC[C@H]2CCC[NH2+]2)c([N+](=O)[O-])cc1OCC ZINC000414762744 514279052 /nfs/dbraw/zinc/27/90/52/514279052.db2.gz WQBYOPHNUCUASG-GFCCVEGCSA-N 1 0 366.418 2.656 20 5 FFBDRO [NH3+]C[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CCCC1 ZINC000423961932 514311113 /nfs/dbraw/zinc/31/11/13/514311113.db2.gz OIXFRGRXAURBMS-AWEZNQCLSA-N 1 0 360.439 2.966 20 5 FFBDRO C[C@@H]1C[N@H+](CCCNc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CCCO1 ZINC000432880948 514312183 /nfs/dbraw/zinc/31/21/83/514312183.db2.gz VPUDIYMMGCYRLG-MRXNPFEDSA-N 1 0 370.453 2.992 20 5 FFBDRO [NH3+]C[C@@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])C1CCCC1 ZINC000423968430 514313291 /nfs/dbraw/zinc/31/32/91/514313291.db2.gz UMRAGBDPXSVWNW-GFCCVEGCSA-N 1 0 356.220 2.605 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N[C@H]3CC[C@H](C[NH3+])C3)cc2[N+](=O)[O-])C1 ZINC000449708432 514316196 /nfs/dbraw/zinc/31/61/96/514316196.db2.gz GRZPXFPLJIUZBX-YCPHGPKFSA-N 1 0 360.458 2.688 20 5 FFBDRO [NH3+]CC[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(F)(F)F ZINC000449721502 514323208 /nfs/dbraw/zinc/32/32/08/514323208.db2.gz OPAUABVOLZLVDG-NSHDSACASA-N 1 0 374.344 2.728 20 5 FFBDRO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000423997435 514328850 /nfs/dbraw/zinc/32/88/50/514328850.db2.gz LOVRUAPRUCGWAB-LJQANCHMSA-N 1 0 366.421 2.956 20 5 FFBDRO Cc1cc(N(C)CC[N@@H+]2CCOC(C)(C)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000432935659 514329053 /nfs/dbraw/zinc/32/90/53/514329053.db2.gz AJFOWEPFLKLYDA-UHFFFAOYSA-N 1 0 358.442 2.998 20 5 FFBDRO CCc1ccc(C(=O)N2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)cc1[N+](=O)[O-] ZINC000424014718 514340813 /nfs/dbraw/zinc/34/08/13/514340813.db2.gz VZORFPGOMHOZTI-SJLPKXTDSA-N 1 0 361.442 2.516 20 5 FFBDRO COc1ccc(CN[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000414895313 514345893 /nfs/dbraw/zinc/34/58/93/514345893.db2.gz MYWMDLRUOPEHHJ-IAGOWNOFSA-N 1 0 359.401 2.978 20 5 FFBDRO COc1cc(CN[C@@H]2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000414907058 514350963 /nfs/dbraw/zinc/35/09/63/514350963.db2.gz AIGRMUCGXLKWDZ-NWDGAFQWSA-N 1 0 359.373 2.607 20 5 FFBDRO [NH3+][C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC[C@H]1c1ccc(F)cc1 ZINC000424041919 514354223 /nfs/dbraw/zinc/35/42/23/514354223.db2.gz JWZQDLUGJHAQTR-ZWKOTPCHSA-N 1 0 357.385 2.620 20 5 FFBDRO CC(C)(CC[NH3+])NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000424049200 514357567 /nfs/dbraw/zinc/35/75/67/514357567.db2.gz UAGMBXKANMFWQT-UHFFFAOYSA-N 1 0 362.352 2.659 20 5 FFBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCC2(CC[NH2+]2)CC1 ZINC000424050993 514357862 /nfs/dbraw/zinc/35/78/62/514357862.db2.gz HEJUMANRPQOMPY-UHFFFAOYSA-N 1 0 355.847 2.695 20 5 FFBDRO Cc1c(NC(=O)[C@@H](C)[N@H+](C)C[C@H](O)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000433060742 514365747 /nfs/dbraw/zinc/36/57/47/514365747.db2.gz MSIIRQIFBFVNKQ-NVXWUHKLSA-N 1 0 371.437 2.766 20 5 FFBDRO CN1CC[NH2+]C[C@@H]1CNCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000414978827 514384097 /nfs/dbraw/zinc/38/40/97/514384097.db2.gz SOSNIKNHCWXCOA-CYBMUJFWSA-N 1 0 364.833 2.501 20 5 FFBDRO COc1cc(C[N@@H+]2C[C@H](C)C[C@@H](CO)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000420944442 514391903 /nfs/dbraw/zinc/39/19/03/514391903.db2.gz QVAOGTRLRVIJRA-GHMZBOCLSA-N 1 0 360.357 2.655 20 5 FFBDRO CC[C@H]([NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C(=O)N1CCOCC1 ZINC000433290455 514446599 /nfs/dbraw/zinc/44/65/99/514446599.db2.gz SUGABBZPGWKZSB-IRXDYDNUSA-N 1 0 361.442 2.544 20 5 FFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCN(C)C(=O)C1 ZINC000424336629 514459502 /nfs/dbraw/zinc/45/95/02/514459502.db2.gz ZBJMDYOXJPAQHT-UONOGXRCSA-N 1 0 351.472 2.924 20 5 FFBDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000461261765 514554526 /nfs/dbraw/zinc/55/45/26/514554526.db2.gz GUGCKSHPBAHOQL-MRXNPFEDSA-N 1 0 358.442 2.882 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C2CCc3ccccc3CC2)cc1 ZINC000453200557 514570186 /nfs/dbraw/zinc/57/01/86/514570186.db2.gz ZOLJULMLMJPOSA-UHFFFAOYSA-N 1 0 374.462 2.906 20 5 FFBDRO CCCN(CCC[NH+](C)C)C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000470681469 514573181 /nfs/dbraw/zinc/57/31/81/514573181.db2.gz ICEFFPWDHMZFND-UHFFFAOYSA-N 1 0 373.457 2.799 20 5 FFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCCN1CCO ZINC000453270272 514584508 /nfs/dbraw/zinc/58/45/08/514584508.db2.gz SDXSJQQYCZXBKK-HOTGVXAUSA-N 1 0 367.515 2.902 20 5 FFBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC(=O)N(C)[C@H]2c2ccnn2C)cc1[N+](=O)[O-] ZINC000497723643 514609882 /nfs/dbraw/zinc/60/98/82/514609882.db2.gz VTHDQBDGZFSUHK-ZBQZNYHESA-N 1 0 371.441 2.649 20 5 FFBDRO Cn1c(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000461434744 514616347 /nfs/dbraw/zinc/61/63/47/514616347.db2.gz ZCIHLPUNTABPJA-IRXDYDNUSA-N 1 0 368.437 2.527 20 5 FFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)C[C@@H]1C[C@H](F)CN1Cc1ncccn1 ZINC000470808050 514619379 /nfs/dbraw/zinc/61/93/79/514619379.db2.gz KWMKFCIGLYPKMN-JYJNAYRXSA-N 1 0 373.432 2.990 20 5 FFBDRO O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N(CC[NH+]1CCCCCC1)C1CCC1 ZINC000488891201 514622727 /nfs/dbraw/zinc/62/27/27/514622727.db2.gz DZNKHASNMORRKD-UHFFFAOYSA-N 1 0 362.430 2.566 20 5 FFBDRO Cc1cc(NCCCC[NH+]2CCN(c3ccccc3)CC2)ncc1[N+](=O)[O-] ZINC000470860880 514644776 /nfs/dbraw/zinc/64/47/76/514644776.db2.gz WEFDVRRCEZVZTE-UHFFFAOYSA-N 1 0 369.469 2.734 20 5 FFBDRO COC1CC[NH+](C2(CNC(=O)c3ccc([N+](=O)[O-])cc3)CCCC2)CC1 ZINC000502542374 514686711 /nfs/dbraw/zinc/68/67/11/514686711.db2.gz NGAHZBMQFVPTCB-UHFFFAOYSA-N 1 0 361.442 2.748 20 5 FFBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCCOC1 ZINC000502649520 514726894 /nfs/dbraw/zinc/72/68/94/514726894.db2.gz TUSNXCJGXTUXSO-WOPDTQHZSA-N 1 0 355.822 2.980 20 5 FFBDRO CCOc1ccccc1CN1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)[C@H](C)C1 ZINC000508285115 514730854 /nfs/dbraw/zinc/73/08/54/514730854.db2.gz AOBOTKAVAWIOBZ-CQSZACIVSA-N 1 0 372.425 2.668 20 5 FFBDRO CNc1nc(C(=O)NC2CC[NH+](C3CCCCC3)CC2)ccc1[N+](=O)[O-] ZINC000455832754 514769787 /nfs/dbraw/zinc/76/97/87/514769787.db2.gz XCJHDEBJQLQPEM-UHFFFAOYSA-N 1 0 361.446 2.558 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000484780697 514793447 /nfs/dbraw/zinc/79/34/47/514793447.db2.gz VDGYUEGHZIEVLR-UHFFFAOYSA-N 1 0 350.419 2.847 20 5 FFBDRO Cc1cc(NCCC[N@@H+]2CCC[C@@H]2C(N)=O)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461965810 514808513 /nfs/dbraw/zinc/80/85/13/514808513.db2.gz NWXVXXNPLWQGKW-CYBMUJFWSA-N 1 0 374.363 2.674 20 5 FFBDRO Nc1c(F)c(NCCN2CC[NH+](Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000471242904 514810697 /nfs/dbraw/zinc/81/06/97/514810697.db2.gz IELDQGKGYJCCIS-UHFFFAOYSA-N 1 0 373.432 2.546 20 5 FFBDRO Cc1c(CC(=O)NCc2ccc(CC[NH+](C)C)cc2)cccc1[N+](=O)[O-] ZINC000467046545 514876138 /nfs/dbraw/zinc/87/61/38/514876138.db2.gz PDFXKRPZFKSRSA-UHFFFAOYSA-N 1 0 355.438 2.866 20 5 FFBDRO COCC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C(C)(C)C ZINC000508986734 514976301 /nfs/dbraw/zinc/97/63/01/514976301.db2.gz KQMMBAYGIMKJFV-BLLLJJGKSA-N 1 0 367.446 2.971 20 5 FFBDRO COCC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C(C)(C)C ZINC000508986736 514976592 /nfs/dbraw/zinc/97/65/92/514976592.db2.gz KQMMBAYGIMKJFV-MLGOLLRUSA-N 1 0 367.446 2.971 20 5 FFBDRO CCOC(=O)c1ccnc(N(C)CC[NH+](C(C)C)C(C)C)c1[N+](=O)[O-] ZINC000503252070 514981145 /nfs/dbraw/zinc/98/11/45/514981145.db2.gz ARDAMJBFCYXQEW-UHFFFAOYSA-N 1 0 352.435 2.722 20 5 FFBDRO COc1ccccc1[C@H](CNc1ncnc2cccc([N+](=O)[O-])c21)[NH+](C)C ZINC000509070652 515008491 /nfs/dbraw/zinc/00/84/91/515008491.db2.gz SYTPBULAXAKJJL-INIZCTEOSA-N 1 0 367.409 2.683 20 5 FFBDRO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NCCC[NH+]1CCCCCC1 ZINC000485465447 515051743 /nfs/dbraw/zinc/05/17/43/515051743.db2.gz NNMXPFNPGCBYTN-UHFFFAOYSA-N 1 0 355.385 2.798 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC[C@H](C)C[NH+]2CCCCC2)c1C ZINC000480930329 515139540 /nfs/dbraw/zinc/13/95/40/515139540.db2.gz RXMLICLSQVCLAU-ZDUSSCGKSA-N 1 0 369.487 2.612 20 5 FFBDRO Cc1c(CNC(=O)N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000490204022 515139664 /nfs/dbraw/zinc/13/96/64/515139664.db2.gz SKPSJCBKKVNGSV-SUNYJGFJSA-N 1 0 360.458 2.775 20 5 FFBDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000472171702 515154369 /nfs/dbraw/zinc/15/43/69/515154369.db2.gz LMPAGTNVBMYNMK-HNNXBMFYSA-N 1 0 374.441 2.649 20 5 FFBDRO O=[N+]([O-])c1cnn(CC[NH2+]C2(c3ccc(Cl)cc3)CCOCC2)c1 ZINC000472252318 515186387 /nfs/dbraw/zinc/18/63/87/515186387.db2.gz QZCNUYQWRJDZSV-UHFFFAOYSA-N 1 0 350.806 2.740 20 5 FFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H](SC)[C@@H]([NH+](C)C)C1 ZINC000462768684 515231789 /nfs/dbraw/zinc/23/17/89/515231789.db2.gz QJMOFZDPLLLEKH-PVAVHDDUSA-N 1 0 365.499 2.668 20 5 FFBDRO CNc1c(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000462776126 515237473 /nfs/dbraw/zinc/23/74/73/515237473.db2.gz DWOSZURTWAOTNI-MAUKXSAKSA-N 1 0 354.410 2.812 20 5 FFBDRO CC(C)[NH+](CCN(C)C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)C(C)C ZINC000504181709 515240632 /nfs/dbraw/zinc/24/06/32/515240632.db2.gz CRIFWXMOTSRZKZ-UHFFFAOYSA-N 1 0 373.457 2.971 20 5 FFBDRO CCC(CC)(CC(=O)OC)[NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000472402544 515257276 /nfs/dbraw/zinc/25/72/76/515257276.db2.gz BIZPPENFGFRBPU-UHFFFAOYSA-N 1 0 351.403 2.553 20 5 FFBDRO O=C1[C@@H]([N@@H+]2CCC[C@@]3(CCCOC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000477051876 515303312 /nfs/dbraw/zinc/30/33/12/515303312.db2.gz RBZSOYHJYGJXED-PKOBYXMFSA-N 1 0 359.426 2.593 20 5 FFBDRO CNc1c(C(=O)NCc2ccccc2OCC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000462936546 515306312 /nfs/dbraw/zinc/30/63/12/515306312.db2.gz RMPPMWFQNKQTQA-UHFFFAOYSA-N 1 0 372.425 2.507 20 5 FFBDRO C[C@H](CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)[NH+]1CCC(C)CC1 ZINC000486146118 515351817 /nfs/dbraw/zinc/35/18/17/515351817.db2.gz GMKRPUFEJBUCJN-GFCCVEGCSA-N 1 0 355.385 2.652 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(NC[C@@H](C)[NH+]2CCN(c3ccccc3)CC2)n1 ZINC000481698227 515428966 /nfs/dbraw/zinc/42/89/66/515428966.db2.gz RTYFHTJHOBZYLD-MRXNPFEDSA-N 1 0 355.442 2.921 20 5 FFBDRO CCOC(=O)C[C@@](C)([NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-])C(C)C ZINC000481709455 515434472 /nfs/dbraw/zinc/43/44/72/515434472.db2.gz VYTIJHHUOOOWNZ-GOSISDBHSA-N 1 0 365.430 2.799 20 5 FFBDRO CN(CC(=O)NC[C@H](C1CCCCC1)[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC000463396895 515474416 /nfs/dbraw/zinc/47/44/16/515474416.db2.gz UNXBELDWUFBUEX-GOSISDBHSA-N 1 0 362.474 2.658 20 5 FFBDRO COCCC(=O)N1CCC([NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000468739005 515496473 /nfs/dbraw/zinc/49/64/73/515496473.db2.gz JTGKFOLAYITBRM-NTCAYCPXSA-N 1 0 361.442 2.615 20 5 FFBDRO CC[NH+](CC)[C@H](CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)CC(C)C ZINC000468812172 515530588 /nfs/dbraw/zinc/53/05/88/515530588.db2.gz DOLVSICOOQERLM-KRWDZBQOSA-N 1 0 371.503 2.771 20 5 FFBDRO O=C(CN[C@@H](CO)c1cccc(Cl)c1F)Nc1ccccc1[N+](=O)[O-] ZINC000499963970 515538730 /nfs/dbraw/zinc/53/87/30/515538730.db2.gz KYCWPXYAMHPTPZ-ZDUSSCGKSA-N 1 0 367.764 2.649 20 5 FFBDRO O=[N+]([O-])c1ccn(C2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)n1 ZINC000459425849 515543751 /nfs/dbraw/zinc/54/37/51/515543751.db2.gz MIGVSGKULGNPEC-GOSISDBHSA-N 1 0 355.442 2.703 20 5 FFBDRO C[NH+](C)CC1CCN(c2ccccc2NC(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000473271085 515558959 /nfs/dbraw/zinc/55/89/59/515558959.db2.gz GRFAFJHXLJKSRY-UHFFFAOYSA-N 1 0 371.441 2.953 20 5 FFBDRO CCOc1cc(C[N@H+](C)CC(C)(C)CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000492751153 515559902 /nfs/dbraw/zinc/55/99/02/515559902.db2.gz RVDWFRWWJFBMOR-UHFFFAOYSA-N 1 0 365.474 2.784 20 5 FFBDRO COc1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC(=O)N3C3CC3)C2)ccc1[N+](=O)[O-] ZINC000492831435 515565990 /nfs/dbraw/zinc/56/59/90/515565990.db2.gz NVSOCSVKSPQONR-GOEBONIOSA-N 1 0 359.426 2.579 20 5 FFBDRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1N)[NH+](C)C ZINC000510551402 515583369 /nfs/dbraw/zinc/58/33/69/515583369.db2.gz UFQSAZAHUYMYGQ-FZKQIMNGSA-N 1 0 356.426 2.907 20 5 FFBDRO COc1cc(C[N@@H+]2CCC[C@H](C)[C@@H]2CO)c([N+](=O)[O-])cc1OCC(F)F ZINC000505569324 515587640 /nfs/dbraw/zinc/58/76/40/515587640.db2.gz UCMVHPLOLCDEDJ-FZMZJTMJSA-N 1 0 374.384 2.840 20 5 FFBDRO CCOc1cc(C(=O)N2C[C@H](C)[N@H+](CC)C[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000500122870 515601618 /nfs/dbraw/zinc/60/16/18/515601618.db2.gz QAYBRNPHBFVTLU-QWHCGFSZSA-N 1 0 365.430 2.557 20 5 FFBDRO CC(C)[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1(CO)CCCC1 ZINC000459532237 515625933 /nfs/dbraw/zinc/62/59/33/515625933.db2.gz OQSPBWWDRLGCMH-WMZOPIPTSA-N 1 0 366.458 2.501 20 5 FFBDRO CC[C@H]1C[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C[C@@H]1N1CCOCC1 ZINC000493365548 515626719 /nfs/dbraw/zinc/62/67/19/515626719.db2.gz QUNSEXUJHGFBHA-GUYCJALGSA-N 1 0 353.850 2.791 20 5 FFBDRO CCC[NH+]1CCC(CNC(=O)CSc2ccc([N+](=O)[O-])cc2)CC1 ZINC000500206280 515626718 /nfs/dbraw/zinc/62/67/18/515626718.db2.gz FAIRZYVLSXDQES-UHFFFAOYSA-N 1 0 351.472 2.925 20 5 FFBDRO CCOc1cc(C(=O)NCC[N@@H+]2CCCC2(C)C)c([N+](=O)[O-])cc1OC ZINC000457076446 515631306 /nfs/dbraw/zinc/63/13/06/515631306.db2.gz NTDVNUHOQZFFOK-UHFFFAOYSA-N 1 0 365.430 2.606 20 5 FFBDRO C[C@@H]1C[NH+](CCCCNc2nc3ccccc3cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000473515016 515644088 /nfs/dbraw/zinc/64/40/88/515644088.db2.gz UKXAYZFGKRGCEL-HUUCEWRRSA-N 1 0 358.442 2.866 20 5 FFBDRO C[C@H](CNC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)[N@H+](C)C1CC1 ZINC000454659714 515648146 /nfs/dbraw/zinc/64/81/46/515648146.db2.gz RPXDXEZGWYFQDH-ZBFHGGJFSA-N 1 0 360.458 2.967 20 5 FFBDRO CCOc1cc(N2CCC(CC[NH+]3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000486944015 515693609 /nfs/dbraw/zinc/69/36/09/515693609.db2.gz ULVIQXLICYNPIU-UHFFFAOYSA-N 1 0 363.458 2.932 20 5 FFBDRO C[N@H+](CCCCNC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)C1CC1 ZINC000457171081 515703046 /nfs/dbraw/zinc/70/30/46/515703046.db2.gz RQFUYBTZZSMRFJ-UHFFFAOYSA-N 1 0 357.414 2.589 20 5 FFBDRO Cc1c([C@H](C)[NH2+]CCc2nnnn2-c2ccccc2)cccc1[N+](=O)[O-] ZINC000510948123 515724610 /nfs/dbraw/zinc/72/46/10/515724610.db2.gz HWFBOPDNGILWBX-AWEZNQCLSA-N 1 0 352.398 2.772 20 5 FFBDRO C[N@H+](CCCCNC(=O)c1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC000457213401 515728615 /nfs/dbraw/zinc/72/86/15/515728615.db2.gz YXEGVCCPEKCZGU-UHFFFAOYSA-N 1 0 370.247 2.962 20 5 FFBDRO CCOC[C@@H]1CCCC[N@@H+]1Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000459681516 515740010 /nfs/dbraw/zinc/74/00/10/515740010.db2.gz XRWSFDRYWCKIDL-HNNXBMFYSA-N 1 0 366.414 2.538 20 5 FFBDRO C[C@H](C[N@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2)C(=O)OC(C)(C)C ZINC000459778957 515799208 /nfs/dbraw/zinc/79/92/08/515799208.db2.gz UHGQFPXDDSKJJJ-GFCCVEGCSA-N 1 0 366.414 2.871 20 5 FFBDRO C[C@@H](C[N@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2)C(=O)OC(C)(C)C ZINC000459778958 515799452 /nfs/dbraw/zinc/79/94/52/515799452.db2.gz UHGQFPXDDSKJJJ-LBPRGKRZSA-N 1 0 366.414 2.871 20 5 FFBDRO C[C@@H]([NH2+]CCC(=O)NCC(=O)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000511171994 515813548 /nfs/dbraw/zinc/81/35/48/515813548.db2.gz KKHKSQASUCBGTJ-CQSZACIVSA-N 1 0 355.394 2.635 20 5 FFBDRO C[C@@H]1[C@H]([NH3+])CCCN1C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000457358175 515824880 /nfs/dbraw/zinc/82/48/80/515824880.db2.gz MHNWMQZOIJXKDU-ZYHUDNBSSA-N 1 0 374.363 2.754 20 5 FFBDRO C[C@H](C[N@H+](C)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000459818736 515828055 /nfs/dbraw/zinc/82/80/55/515828055.db2.gz YNLACTPQWUMUCG-CHWSQXEVSA-N 1 0 365.430 2.831 20 5 FFBDRO C[C@@H](CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000478526956 515858946 /nfs/dbraw/zinc/85/89/46/515858946.db2.gz DZEOGBAEUHENHF-GJZGRUSLSA-N 1 0 371.441 2.631 20 5 FFBDRO Cc1ccc([C@H](CNC(=O)Cc2ccccc2[N+](=O)[O-])[NH+]2CCCC2)o1 ZINC000506375573 515867508 /nfs/dbraw/zinc/86/75/08/515867508.db2.gz RDLMGLCLIGFQKZ-KRWDZBQOSA-N 1 0 357.410 2.992 20 5 FFBDRO C[C@@H](CCCC[NH3+])NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000494704954 515934043 /nfs/dbraw/zinc/93/40/43/515934043.db2.gz XSGNIGSINYGKBM-HNNXBMFYSA-N 1 0 351.450 2.788 20 5 FFBDRO C[C@@H]1C[C@@H](NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000501087494 515973568 /nfs/dbraw/zinc/97/35/68/515973568.db2.gz UQWQGTDFMDRWST-KOLCDFICSA-N 1 0 371.235 2.962 20 5 FFBDRO C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])n2C)CC[N@@H+]1Cc1ccccc1 ZINC000464884181 516004880 /nfs/dbraw/zinc/00/48/80/516004880.db2.gz GUAASWFFBISBHT-HNNXBMFYSA-N 1 0 356.426 2.670 20 5 FFBDRO C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])n2C)CC[N@@H+]1Cc1ccccc1 ZINC000464884182 516005054 /nfs/dbraw/zinc/00/50/54/516005054.db2.gz GUAASWFFBISBHT-OAHLLOKOSA-N 1 0 356.426 2.670 20 5 FFBDRO CNc1nc(C(=O)N2CCC[C@H]([NH+]3[C@H](C)CC[C@H]3C)C2)ccc1[N+](=O)[O-] ZINC000455215791 516046888 /nfs/dbraw/zinc/04/68/88/516046888.db2.gz WGIWGPBHEUJMQR-MCIONIFRSA-N 1 0 361.446 2.509 20 5 FFBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000507003301 516049949 /nfs/dbraw/zinc/04/99/49/516049949.db2.gz VRQGWRJIGPKUSX-CZUORRHYSA-N 1 0 354.410 2.941 20 5 FFBDRO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000495181091 516092374 /nfs/dbraw/zinc/09/23/74/516092374.db2.gz BTBYDRUJCWNAGZ-LBPRGKRZSA-N 1 0 372.347 2.650 20 5 FFBDRO C[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C[C@H]1OCCc2ccccc21 ZINC000507243641 516137534 /nfs/dbraw/zinc/13/75/34/516137534.db2.gz RPWMGTOBIXOGDK-FXAWDEMLSA-N 1 0 372.421 2.580 20 5 FFBDRO NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000470152535 516146523 /nfs/dbraw/zinc/14/65/23/516146523.db2.gz NJMZDIUJHQDUSU-YEWDVWPNSA-N 1 0 355.394 2.941 20 5 FFBDRO CC1(C)CCC[N@H+](CCNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000470285141 516194246 /nfs/dbraw/zinc/19/42/46/516194246.db2.gz HNRSMSSARXBLKL-UHFFFAOYSA-N 1 0 356.426 2.995 20 5 FFBDRO O=C([C@@H]1CCC[N@@H+]1C1CCCC1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000470290660 516195699 /nfs/dbraw/zinc/19/56/99/516195699.db2.gz WFJWPLQUCVKIMU-SFHVURJKSA-N 1 0 359.426 2.591 20 5 FFBDRO C[N@H+](CC(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1)[C@H]1CCSC1 ZINC000501729339 516208181 /nfs/dbraw/zinc/20/81/81/516208181.db2.gz LEKPWNPLOLWQHR-GOEBONIOSA-N 1 0 367.496 2.606 20 5 FFBDRO CC1CC[NH+]([C@@H](CNC(=O)c2cc([N+](=O)[O-])n[nH]2)c2ccccc2)CC1 ZINC000507506409 516226229 /nfs/dbraw/zinc/22/62/29/516226229.db2.gz MTVGAHLGECAPQY-INIZCTEOSA-N 1 0 357.414 2.521 20 5 FFBDRO COc1ccc(OCC[N@@H+]2CCCCC[C@H]2C[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000512420953 516272210 /nfs/dbraw/zinc/27/22/10/516272210.db2.gz ORAWUNPIHFCYSA-CABCVRRESA-N 1 0 352.431 2.998 20 5 FFBDRO CSc1cccc(C(=O)NCC2(SC)CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000460969326 516294159 /nfs/dbraw/zinc/29/41/59/516294159.db2.gz MMPDAYPUVNQJTR-UHFFFAOYSA-N 1 0 369.512 2.874 20 5 FFBDRO Cn1c(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000502110188 516305763 /nfs/dbraw/zinc/30/57/63/516305763.db2.gz OQSRTZWWWFQDAV-UHFFFAOYSA-N 1 0 356.426 2.575 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC1(C)CC[NH+](C)CC1 ZINC000507844406 516312056 /nfs/dbraw/zinc/31/20/56/516312056.db2.gz JCGCYYSHANPHGJ-GFCCVEGCSA-N 1 0 369.849 2.864 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)cc1C ZINC000497544744 516325874 /nfs/dbraw/zinc/32/58/74/516325874.db2.gz ZVCCAVRVXZRPOZ-SWLSCSKDSA-N 1 0 369.487 2.610 20 5 FFBDRO CC[N@@H+]1C[C@H](C)N(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C[C@@H]1C ZINC000497558322 516326346 /nfs/dbraw/zinc/32/63/46/516326346.db2.gz NZNYULTUHCWNQF-GJZGRUSLSA-N 1 0 360.458 2.750 20 5 FFBDRO COc1ccc(C2([NH2+]CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)CC2)cc1 ZINC000561111126 516384109 /nfs/dbraw/zinc/38/41/09/516384109.db2.gz HBRJTYFVBQUPTL-UHFFFAOYSA-N 1 0 367.405 2.771 20 5 FFBDRO COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)c2ccc([N+](=O)[O-])cn2)cc1 ZINC000543714838 516385883 /nfs/dbraw/zinc/38/58/83/516385883.db2.gz KMIQNOPOZWEMBA-SFHVURJKSA-N 1 0 370.409 2.565 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCCCC[N@@H+]2CCC[C@@H](C)C2)n1 ZINC000561118442 516390501 /nfs/dbraw/zinc/39/05/01/516390501.db2.gz DQWJIKPTNZIZBK-CYBMUJFWSA-N 1 0 350.419 2.700 20 5 FFBDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000517641154 516396051 /nfs/dbraw/zinc/39/60/51/516396051.db2.gz GNQZULOPRNHINU-OAHLLOKOSA-N 1 0 363.458 2.990 20 5 FFBDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000513111072 516478756 /nfs/dbraw/zinc/47/87/56/516478756.db2.gz XUMNIMDMIBOOJZ-INIZCTEOSA-N 1 0 356.426 2.953 20 5 FFBDRO C[C@@H](CNc1c2cc(Br)ccc2ncc1[N+](=O)[O-])[NH+](C)C ZINC000513118675 516482052 /nfs/dbraw/zinc/48/20/52/516482052.db2.gz OBAVSFKVJRYZFL-VIFPVBQESA-N 1 0 353.220 2.689 20 5 FFBDRO COc1cc(C[NH2+][C@@H](C)C[C@@H](C)O)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000543949787 516510428 /nfs/dbraw/zinc/51/04/28/516510428.db2.gz XMWNZJHRURTWKK-VHSXEESVSA-N 1 0 366.336 2.794 20 5 FFBDRO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)c3ccnc(N)c3[N+](=O)[O-])cc2)C1 ZINC000547730559 516524633 /nfs/dbraw/zinc/52/46/33/516524633.db2.gz ZOHSRBBGNAZIJB-ZDUSSCGKSA-N 1 0 369.425 2.887 20 5 FFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000558024820 516556328 /nfs/dbraw/zinc/55/63/28/516556328.db2.gz HGBIIFBWBIBQFB-SQWLQELKSA-N 1 0 361.442 2.796 20 5 FFBDRO C[NH+](C)C[C@H](NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)c1ccc(F)cc1 ZINC000554655970 516570928 /nfs/dbraw/zinc/57/09/28/516570928.db2.gz SSOLVJLNTWXLFL-INIZCTEOSA-N 1 0 371.372 2.643 20 5 FFBDRO CN(C(=O)C[NH2+][C@@H](c1cnn(C)c1)C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000540475789 516573974 /nfs/dbraw/zinc/57/39/74/516573974.db2.gz MNZDDCUMWVVGQA-KRWDZBQOSA-N 1 0 359.430 2.668 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCc2c(F)ccc(F)c2C1 ZINC000544145145 516612101 /nfs/dbraw/zinc/61/21/01/516612101.db2.gz IHOAOHDGYCIKMM-LBPRGKRZSA-N 1 0 364.348 2.671 20 5 FFBDRO CCOc1cc(N2CCN(CCC[NH+](CC)CC)CC2)ccc1[N+](=O)[O-] ZINC000554847558 516662853 /nfs/dbraw/zinc/66/28/53/516662853.db2.gz ATNDWAQBOJMVSS-UHFFFAOYSA-N 1 0 364.490 2.847 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](C)[NH+]2CCCC2)cc1SC ZINC000524192864 516666318 /nfs/dbraw/zinc/66/63/18/516666318.db2.gz FYRHMWQEVMFRHT-LLVKDONJSA-N 1 0 353.444 2.539 20 5 FFBDRO C[N@@H+]1CC[C@H](NC(=O)NCCc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000536193837 516671429 /nfs/dbraw/zinc/67/14/29/516671429.db2.gz ULNOVEBZFLGNOY-OALUTQOASA-N 1 0 368.437 2.882 20 5 FFBDRO Cc1ccc(C[NH2+]CCCN2C(=O)NC3(CCCCC3)C2=O)cc1[N+](=O)[O-] ZINC000518766171 516765663 /nfs/dbraw/zinc/76/56/63/516765663.db2.gz GIFSQFGSOZQUCY-UHFFFAOYSA-N 1 0 374.441 2.638 20 5 FFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000558514022 516785965 /nfs/dbraw/zinc/78/59/65/516785965.db2.gz YJEBIWUALYXYJA-MRXNPFEDSA-N 1 0 364.446 2.732 20 5 FFBDRO C[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1Oc2ccccc2[C@@H]1C ZINC000544511595 516789610 /nfs/dbraw/zinc/78/96/10/516789610.db2.gz ASDVIFMIYRPGJV-PZROIBLQSA-N 1 0 355.394 2.737 20 5 FFBDRO C[NH+]1CCC([C@@H]2CCN(C(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)C2)CC1 ZINC000536515107 516799021 /nfs/dbraw/zinc/79/90/21/516799021.db2.gz RQNZEMDGOBWIEU-CQSZACIVSA-N 1 0 356.426 2.880 20 5 FFBDRO CCN(CC[NH+]1CCCCCC1)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000561898385 516819538 /nfs/dbraw/zinc/81/95/38/516819538.db2.gz ADGDFVYXSCNTRF-UHFFFAOYSA-N 1 0 374.485 2.682 20 5 FFBDRO C[C@H]1CC[N@H+](CCNC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)C1 ZINC000524774909 516825886 /nfs/dbraw/zinc/82/58/86/516825886.db2.gz ISKREEUHUPHXHP-INIZCTEOSA-N 1 0 374.485 2.903 20 5 FFBDRO COc1ccc(-c2ccc(C[NH2+][C@H]3CCC[C@H](C(N)=O)C3)o2)c([N+](=O)[O-])c1 ZINC000532209793 516858129 /nfs/dbraw/zinc/85/81/29/516858129.db2.gz QVIQTZXQXZFUFV-STQMWFEESA-N 1 0 373.409 2.997 20 5 FFBDRO COC(=O)COc1ccc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000555338925 516888839 /nfs/dbraw/zinc/88/88/39/516888839.db2.gz PTQAANZCMIYVRK-UHFFFAOYSA-N 1 0 358.394 2.821 20 5 FFBDRO NC(=O)[C@@H]1CCC[N@H+](CCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000514191135 516897105 /nfs/dbraw/zinc/89/71/05/516897105.db2.gz VYWOXDPGHRGYMY-LLVKDONJSA-N 1 0 374.363 2.613 20 5 FFBDRO Cn1c(C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)ccc1[N+](=O)[O-] ZINC000525040927 516900963 /nfs/dbraw/zinc/90/09/63/516900963.db2.gz VIQGSLLLMHTHOU-BLLLJJGKSA-N 1 0 362.455 2.808 20 5 FFBDRO CC(=O)NCC1CC[NH+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000532491034 517001791 /nfs/dbraw/zinc/00/17/91/517001791.db2.gz VPCDQPZHLLQEEF-UHFFFAOYSA-N 1 0 372.425 2.640 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C[C@@H]3CCCCS3(=O)=O)o2)c1 ZINC000541380889 517020853 /nfs/dbraw/zinc/02/08/53/517020853.db2.gz SSXMIGJEDGBKQP-INIZCTEOSA-N 1 0 364.423 2.912 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)CCc1ccccc1O ZINC000541394465 517029886 /nfs/dbraw/zinc/02/98/86/517029886.db2.gz VUIKQSFTTDYYBX-UHFFFAOYSA-N 1 0 373.409 2.812 20 5 FFBDRO CS[C@@H]1CN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C[C@H]1[NH+]1CCCC1 ZINC000548517012 517030049 /nfs/dbraw/zinc/03/00/49/517030049.db2.gz YRQXZMIMYFTEDV-HZPDHXFCSA-N 1 0 374.466 2.728 20 5 FFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](c1nccn1C)C1CC1 ZINC000552087995 517072958 /nfs/dbraw/zinc/07/29/58/517072958.db2.gz YHJYNIHTMHVEFF-SJCJKPOMSA-N 1 0 357.414 2.786 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCC=C(c3ccccn3)C2)c1 ZINC000562443024 517111728 /nfs/dbraw/zinc/11/17/28/517111728.db2.gz CKOYHBUSAFNGJX-KRWDZBQOSA-N 1 0 355.394 2.519 20 5 FFBDRO C[C@@](O)(C1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1)C(F)(F)F ZINC000545224945 517116037 /nfs/dbraw/zinc/11/60/37/517116037.db2.gz YRORVZPTVRXRJE-OAHLLOKOSA-N 1 0 362.348 2.999 20 5 FFBDRO Cn1cc(C[NH2+]CCCCn2ccnc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000537274898 517119226 /nfs/dbraw/zinc/11/92/26/517119226.db2.gz UUXFIQAHTMPWHX-UHFFFAOYSA-N 1 0 354.414 2.762 20 5 FFBDRO CC[NH+](CC)CCOCCNc1ncc([N+](=O)[O-])cc1Br ZINC000541593764 517129306 /nfs/dbraw/zinc/12/93/06/517129306.db2.gz ZRVBGHQASKRFHF-UHFFFAOYSA-N 1 0 361.240 2.523 20 5 FFBDRO O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000555808199 517135766 /nfs/dbraw/zinc/13/57/66/517135766.db2.gz FFZYLVNDIFMHGK-MRXNPFEDSA-N 1 0 358.442 2.679 20 5 FFBDRO CCC[NH+]1CCC(N[C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000552238129 517155702 /nfs/dbraw/zinc/15/57/02/517155702.db2.gz UXKSDZVHBTUAGJ-SFHVURJKSA-N 1 0 357.458 2.882 20 5 FFBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]Cc1nnnn1-c1ccccc1)C1CC1 ZINC000537423418 517183386 /nfs/dbraw/zinc/18/33/86/517183386.db2.gz NDKLOVFLAYOOIP-QGZVFWFLSA-N 1 0 364.409 2.681 20 5 FFBDRO CN(C)C[C@@H](Cc1ccccc1)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000548761612 517196733 /nfs/dbraw/zinc/19/67/33/517196733.db2.gz YNDFRTHAIZACST-QGZVFWFLSA-N 1 0 370.453 2.686 20 5 FFBDRO CN(C)[C@H](C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1cccs1 ZINC000548761230 517196966 /nfs/dbraw/zinc/19/69/66/517196966.db2.gz VTYITRZUJHZEEA-OAHLLOKOSA-N 1 0 362.455 2.877 20 5 FFBDRO CC[NH+]1CCC(CCNS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)CC1 ZINC000541814317 517229180 /nfs/dbraw/zinc/22/91/80/517229180.db2.gz UYJZEGCUMJOUJA-UHFFFAOYSA-N 1 0 369.487 2.612 20 5 FFBDRO O=C(CC[NH2+][C@@H]1CCN(Cc2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000548826067 517238241 /nfs/dbraw/zinc/23/82/41/517238241.db2.gz IVMLIQCGBRBMQT-QGZVFWFLSA-N 1 0 368.437 2.788 20 5 FFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000526046916 517312466 /nfs/dbraw/zinc/31/24/66/517312466.db2.gz HGQUUPHZVPVQLI-IQUZECRKSA-N 1 0 352.456 2.944 20 5 FFBDRO COc1ccc(CC(=O)Nc2ccccc2CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000526099763 517344101 /nfs/dbraw/zinc/34/41/01/517344101.db2.gz GRDDIVBJLMURLV-UHFFFAOYSA-N 1 0 357.410 2.889 20 5 FFBDRO CC[NH+]1CCC(CCNC(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000542028467 517344592 /nfs/dbraw/zinc/34/45/92/517344592.db2.gz GTUSOTABUXEHFP-UHFFFAOYSA-N 1 0 350.419 2.847 20 5 FFBDRO Cc1cc(-c2nc(-c3ccnc(OCC[NH+](C)C)c3)no2)ccc1[N+](=O)[O-] ZINC000545761217 517359208 /nfs/dbraw/zinc/35/92/08/517359208.db2.gz HGAZYANBOWXSCE-UHFFFAOYSA-N 1 0 369.381 2.956 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CCOc2cccc(Cl)c2)c1 ZINC000515466958 517363824 /nfs/dbraw/zinc/36/38/24/517363824.db2.gz HOFJXOQSPYYQRJ-HNNXBMFYSA-N 1 0 366.801 2.657 20 5 FFBDRO COCCN(CCc1ccccc1)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000533255372 517366249 /nfs/dbraw/zinc/36/62/49/517366249.db2.gz JJWYSPIXXPRSHL-UHFFFAOYSA-N 1 0 357.410 2.724 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC[C@H](C)C[NH+]2CCCCC2)c1C ZINC000515520506 517390463 /nfs/dbraw/zinc/39/04/63/517390463.db2.gz HULVAUNYUQJFFA-ZDUSSCGKSA-N 1 0 369.487 2.612 20 5 FFBDRO CCC[C@@H](C)[C@H](CC)[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000552898759 517435256 /nfs/dbraw/zinc/43/52/56/517435256.db2.gz CMBFJFDUHZQHPM-CJNGLKHVSA-N 1 0 357.476 2.678 20 5 FFBDRO CCOc1ccc(C[N@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000542210641 517440262 /nfs/dbraw/zinc/44/02/62/517440262.db2.gz VTQLKRIHYBNZSX-MRXNPFEDSA-N 1 0 360.410 2.865 20 5 FFBDRO CCN(C(=O)c1c[nH]nc1[N+](=O)[O-])[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000549217825 517462408 /nfs/dbraw/zinc/46/24/08/517462408.db2.gz AAYSCILHEKFKBO-ZFWWWQNUSA-N 1 0 357.414 2.616 20 5 FFBDRO C[C@@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000546007879 517485825 /nfs/dbraw/zinc/48/58/25/517485825.db2.gz KZNXFJIPOREVGP-AWEZNQCLSA-N 1 0 367.405 2.802 20 5 FFBDRO CN(CCC[NH+](C)C)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000515956286 517520430 /nfs/dbraw/zinc/52/04/30/517520430.db2.gz PYYABMHWGOTODZ-UHFFFAOYSA-N 1 0 362.352 2.707 20 5 FFBDRO C[C@@H](C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)Oc1ccc(F)cc1 ZINC000562993211 517565995 /nfs/dbraw/zinc/56/59/95/517565995.db2.gz AWAVUMZLMBWFEA-BBRMVZONSA-N 1 0 364.373 2.531 20 5 FFBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2C[C@H]([NH3+])Cc3ccccc32)cc1OC ZINC000516174759 517600733 /nfs/dbraw/zinc/60/07/33/517600733.db2.gz UPYVRNPLWFSYFK-CYBMUJFWSA-N 1 0 371.393 2.532 20 5 FFBDRO C[NH+](C)[C@H](CNc1ncnc2cccc([N+](=O)[O-])c21)Cc1ccccc1 ZINC000542509107 517602609 /nfs/dbraw/zinc/60/26/09/517602609.db2.gz KBWUIGRURLYVDF-HNNXBMFYSA-N 1 0 351.410 2.545 20 5 FFBDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000533801225 517616916 /nfs/dbraw/zinc/61/69/16/517616916.db2.gz HJDRHDJEXRTGBD-GASCZTMLSA-N 1 0 360.458 2.925 20 5 FFBDRO CS[C@@H]1CN(c2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]1[NH+](C)C ZINC000533928436 517672346 /nfs/dbraw/zinc/67/23/46/517672346.db2.gz QQUMIOFKPNGYRY-HZPDHXFCSA-N 1 0 373.482 2.842 20 5 FFBDRO CCCN(CC[NH+]1CCCC1)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000553388101 517684360 /nfs/dbraw/zinc/68/43/60/517684360.db2.gz SXRGXMWZJQRGPI-UHFFFAOYSA-N 1 0 371.441 2.729 20 5 FFBDRO NC(=O)C1(C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCCC1 ZINC000538609702 517688944 /nfs/dbraw/zinc/68/89/44/517688944.db2.gz XZHBOJTVMPRXAG-UHFFFAOYSA-N 1 0 360.439 2.854 20 5 FFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)CCC[N@H+](C)Cc1ccco1 ZINC000556882793 517726825 /nfs/dbraw/zinc/72/68/25/517726825.db2.gz DTCLEMLNEIPBHS-OAHLLOKOSA-N 1 0 374.441 2.969 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)CCC[N@H+](C)Cc1ccncc1 ZINC000556934254 517756118 /nfs/dbraw/zinc/75/61/18/517756118.db2.gz QVSNWPPSKVPOSS-UHFFFAOYSA-N 1 0 356.426 2.892 20 5 FFBDRO CCN(CCC[NH+](CC)CC)C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000530416805 517761486 /nfs/dbraw/zinc/76/14/86/517761486.db2.gz JXMIHLCUTSFRBY-UHFFFAOYSA-N 1 0 351.403 2.518 20 5 FFBDRO O=C(CC[NH2+][C@@H]1CCO[C@@H](c2ccccn2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000521613510 517797301 /nfs/dbraw/zinc/79/73/01/517797301.db2.gz VTAVRUFATVMYNG-RDTXWAMCSA-N 1 0 370.409 2.828 20 5 FFBDRO C[C@H](CNC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1)C[NH+](C)C ZINC000557063621 517832453 /nfs/dbraw/zinc/83/24/53/517832453.db2.gz RUMKJFKZOHDSDV-HUUCEWRRSA-N 1 0 362.474 2.759 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000521769652 517851099 /nfs/dbraw/zinc/85/10/99/517851099.db2.gz FNKCTWHSTMVGJZ-NWDGAFQWSA-N 1 0 367.833 2.616 20 5 FFBDRO COc1ccc(NC(=O)C[NH2+]C(C)(C)c2ccc(C)nc2)c([N+](=O)[O-])c1 ZINC000546808717 517867168 /nfs/dbraw/zinc/86/71/68/517867168.db2.gz HDGIABBFKDLCHI-UHFFFAOYSA-N 1 0 358.398 2.770 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000543185952 517954479 /nfs/dbraw/zinc/95/44/79/517954479.db2.gz BKOBWQLZFRATCT-IAGOWNOFSA-N 1 0 372.421 2.735 20 5 FFBDRO C[C@@H]1COc2ccccc2C[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000543188374 517955942 /nfs/dbraw/zinc/95/59/42/517955942.db2.gz YWZRDLKIFJWYCW-ZBFHGGJFSA-N 1 0 358.394 2.618 20 5 FFBDRO COC(=O)CC1([NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000517016025 517978081 /nfs/dbraw/zinc/97/80/81/517978081.db2.gz NSZFUYJGVNHKTL-UHFFFAOYSA-N 1 0 363.414 2.779 20 5 FFBDRO COc1cc(C[C@H](CO)C[NH2+]Cc2cccc([N+](=O)[O-])c2)cc(OC)c1 ZINC000530870549 518022685 /nfs/dbraw/zinc/02/26/85/518022685.db2.gz WXOGHNPAMUYFGK-INIZCTEOSA-N 1 0 360.410 2.553 20 5 FFBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCCCS1(=O)=O ZINC000543429526 518085088 /nfs/dbraw/zinc/08/50/88/518085088.db2.gz MJEWKVIAQYAGGK-XIRDDKMYSA-N 1 0 366.483 2.863 20 5 FFBDRO O=[N+]([O-])c1cccc2ncnc(N3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)c21 ZINC000543435059 518088661 /nfs/dbraw/zinc/08/86/61/518088661.db2.gz CTVYKKKYZQINBC-BBRMVZONSA-N 1 0 353.426 2.991 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@@H]1C ZINC000531141291 518151940 /nfs/dbraw/zinc/15/19/40/518151940.db2.gz QCCGODROAOLRSH-DZGCQCFKSA-N 1 0 359.430 2.949 20 5 FFBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000539810159 518166223 /nfs/dbraw/zinc/16/62/23/518166223.db2.gz SUVVYSMOBVDUGL-NSHDSACASA-N 1 0 357.357 2.656 20 5 FFBDRO C[C@H](CNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)[N@@H+]1CCCC[C@@H]1C ZINC000535282378 518173037 /nfs/dbraw/zinc/17/30/37/518173037.db2.gz VVUAHSCYWNADNB-LSDHHAIUSA-N 1 0 360.458 2.925 20 5 FFBDRO CC[N@@H+]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C2CC2)CC1 ZINC000578516816 518248448 /nfs/dbraw/zinc/24/84/48/518248448.db2.gz ZQGKIXCQYOWUIG-UHFFFAOYSA-N 1 0 356.430 2.720 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2noc(CN3CCCC[C@H]3[C@@H]3CCC[NH2+]3)n2)c1 ZINC000578610942 518291809 /nfs/dbraw/zinc/29/18/09/518291809.db2.gz DKRAYVULZMYYCO-HOTGVXAUSA-N 1 0 357.414 2.751 20 5 FFBDRO COc1c(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)oc2ccccc21 ZINC000584346567 518294215 /nfs/dbraw/zinc/29/42/15/518294215.db2.gz QECDEGYORMDBBL-CQSZACIVSA-N 1 0 372.377 2.879 20 5 FFBDRO Cc1cccc(-c2ccc(C[NH2+]C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)cc2)c1 ZINC000567042769 518325113 /nfs/dbraw/zinc/32/51/13/518325113.db2.gz VGJZJVJJGDQJEP-HXUWFJFHSA-N 1 0 366.421 2.917 20 5 FFBDRO C[C@H](Nc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000572760825 518348197 /nfs/dbraw/zinc/34/81/97/518348197.db2.gz CXAYRDMNXGCQLC-VNHYZAJKSA-N 1 0 369.425 2.582 20 5 FFBDRO C[C@@H]([NH2+]Cc1cccc(S(=O)(=O)N(C)C)c1)c1ccc([N+](=O)[O-])cc1 ZINC000578790096 518374392 /nfs/dbraw/zinc/37/43/92/518374392.db2.gz YLPHYGQFQZSUEP-CYBMUJFWSA-N 1 0 363.439 2.696 20 5 FFBDRO O=C(c1cc([N+](=O)[O-])c[nH]1)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000584562102 518398058 /nfs/dbraw/zinc/39/80/58/518398058.db2.gz RKNSBGCRMIRDJD-HZPDHXFCSA-N 1 0 354.410 2.517 20 5 FFBDRO COc1ccc(C[C@@H](CO)C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])cc1O ZINC000576074552 518415196 /nfs/dbraw/zinc/41/51/96/518415196.db2.gz KVPPSDKVDYWQHR-DQOPKJQZSA-N 1 0 372.421 2.763 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CCc1ccccc1Cl ZINC000564444464 518454952 /nfs/dbraw/zinc/45/49/52/518454952.db2.gz ODNZKOGDKFAGHG-AWEZNQCLSA-N 1 0 350.802 2.820 20 5 FFBDRO Cc1ccc(C)c(OC[C@@H](O)C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1 ZINC000564444963 518455115 /nfs/dbraw/zinc/45/51/15/518455115.db2.gz YHDAMLFLUSPEEM-HNNXBMFYSA-N 1 0 370.409 2.617 20 5 FFBDRO CO[C@H](C)[C@@H](C)[NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000567318650 518461568 /nfs/dbraw/zinc/46/15/68/518461568.db2.gz SHSZARIFKBHESJ-OPRDCNLKSA-N 1 0 363.336 2.954 20 5 FFBDRO Cc1[nH]c2ccccc2c1CC[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000570202155 518493354 /nfs/dbraw/zinc/49/33/54/518493354.db2.gz UQBLDTDJFKEJFT-OAHLLOKOSA-N 1 0 369.421 2.957 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000573083445 518498927 /nfs/dbraw/zinc/49/89/27/518498927.db2.gz OIRJFOSBYHAHCQ-YVEFUNNKSA-N 1 0 367.833 2.618 20 5 FFBDRO C[NH+](C)C1CCC(Nc2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)CC1 ZINC000584848913 518507671 /nfs/dbraw/zinc/50/76/71/518507671.db2.gz BWVQAVGDAFODJA-UHFFFAOYSA-N 1 0 366.437 2.855 20 5 FFBDRO CC1=C[C@@H](C)C[C@H](C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000564579908 518512067 /nfs/dbraw/zinc/51/20/67/518512067.db2.gz WOKVOKJKHWFERN-HIFRSBDPSA-N 1 0 352.456 2.951 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)CNCC(F)(F)c2ccccc2)c1 ZINC000573111953 518513613 /nfs/dbraw/zinc/51/36/13/518513613.db2.gz XAGDQWWJLGGJGA-HNNXBMFYSA-N 1 0 352.337 2.716 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H]1COc2ccc(Cl)cc21 ZINC000579228347 518583541 /nfs/dbraw/zinc/58/35/41/518583541.db2.gz JSJMNGCCFFQEEK-OCCSQVGLSA-N 1 0 364.785 2.711 20 5 FFBDRO Cc1cc2cc(C[NH2+]C[C@@H](O)COc3cccc([N+](=O)[O-])c3)ccc2[nH]1 ZINC000567606615 518610800 /nfs/dbraw/zinc/61/08/00/518610800.db2.gz YKWNIBHSZQAIAD-QGZVFWFLSA-N 1 0 355.394 2.914 20 5 FFBDRO CCCN(CC[NH+]1CCCC1)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000576503915 518624360 /nfs/dbraw/zinc/62/43/60/518624360.db2.gz NGOWAKOBTYLTMH-UHFFFAOYSA-N 1 0 351.447 2.920 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(CN2CCC[N@H+](C[C@@H]3CCCO3)CC2)c(F)c1 ZINC000586760548 518632386 /nfs/dbraw/zinc/63/23/86/518632386.db2.gz LEVBJTMJCFGYCJ-AWEZNQCLSA-N 1 0 355.385 2.560 20 5 FFBDRO O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000573478609 518685418 /nfs/dbraw/zinc/68/54/18/518685418.db2.gz QLRIWIUUCXZEPR-ROUUACIJSA-N 1 0 371.441 2.545 20 5 FFBDRO Cc1cc(C)cc(OC[C@@H](O)C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1 ZINC000573480596 518687112 /nfs/dbraw/zinc/68/71/12/518687112.db2.gz PQEULUXBJLRGMC-HNNXBMFYSA-N 1 0 370.409 2.617 20 5 FFBDRO C[C@@H]1CN(c2ccccc2C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000582346048 518707964 /nfs/dbraw/zinc/70/79/64/518707964.db2.gz ISYWDRBKYCANHL-MRXNPFEDSA-N 1 0 371.437 2.989 20 5 FFBDRO [NH3+]CCC[C@@H](NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)c1ccccc1 ZINC000582354985 518714105 /nfs/dbraw/zinc/71/41/05/518714105.db2.gz JHAZHQLAJIHRNE-MRXNPFEDSA-N 1 0 371.393 2.576 20 5 FFBDRO C[C@H](COc1cccc(F)c1)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000570675628 518726438 /nfs/dbraw/zinc/72/64/38/518726438.db2.gz PRYOFAGWJFRLKP-HIFRSBDPSA-N 1 0 364.373 2.531 20 5 FFBDRO O=C(CC[NH2+]Cc1ccc(N2CCCC2)nc1)Nc1ccccc1[N+](=O)[O-] ZINC000570710068 518743149 /nfs/dbraw/zinc/74/31/49/518743149.db2.gz DCJBRVXQCGGWSS-UHFFFAOYSA-N 1 0 369.425 2.708 20 5 FFBDRO COc1ccccc1[C@]1(C)C[C@H]1[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000582481635 518774645 /nfs/dbraw/zinc/77/46/45/518774645.db2.gz BZCOKJMRTRCOAF-KPOBHBOGSA-N 1 0 372.421 2.663 20 5 FFBDRO C[C@@]1(CNc2nccc(C(N)=O)c2[N+](=O)[O-])CCC[N@@H+]1Cc1ccccc1 ZINC000579656676 518784501 /nfs/dbraw/zinc/78/45/01/518784501.db2.gz ACDFLUGAWRKTRU-IBGZPJMESA-N 1 0 369.425 2.555 20 5 FFBDRO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2c2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H](C)O1 ZINC000579674132 518794030 /nfs/dbraw/zinc/79/40/30/518794030.db2.gz JALAYFIFTSGFIH-GUTXKFCHSA-N 1 0 359.430 2.549 20 5 FFBDRO C[C@H](C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH+]1[C@H](C)CC[C@H]1C ZINC000576915292 518823472 /nfs/dbraw/zinc/82/34/72/518823472.db2.gz LWRNHPQRALITKB-MGPQQGTHSA-N 1 0 358.442 2.996 20 5 FFBDRO Cc1cccc2c1OCC[C@H]2[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000570955627 518859219 /nfs/dbraw/zinc/85/92/19/518859219.db2.gz TWGLURMXETUQKS-GOEBONIOSA-N 1 0 358.394 2.756 20 5 FFBDRO O=[N+]([O-])c1cccc2c(N3CCC[C@H]([NH+]4CCOCC4)CC3)ccnc21 ZINC000582676794 518869247 /nfs/dbraw/zinc/86/92/47/518869247.db2.gz KJVVGUHESMHGLD-HNNXBMFYSA-N 1 0 356.426 2.834 20 5 FFBDRO CCC[C@H](O)[C@H](CO)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000579936439 518927678 /nfs/dbraw/zinc/92/76/78/518927678.db2.gz RZYQNHHCPCCYIG-HOTGVXAUSA-N 1 0 350.440 2.935 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H](c1ccccc1)[C@H]1CCCO1 ZINC000582840731 518947973 /nfs/dbraw/zinc/94/79/73/518947973.db2.gz IXXBSVNZDHXMMF-NSISKUIASA-N 1 0 372.421 2.844 20 5 FFBDRO CC[C@@H](C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)OC ZINC000582874071 518961769 /nfs/dbraw/zinc/96/17/69/518961769.db2.gz BGCLBBZJPDZYQY-LBPRGKRZSA-N 1 0 364.183 2.714 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCCOc2ccccc21 ZINC000571198626 518974869 /nfs/dbraw/zinc/97/48/69/518974869.db2.gz SMWGTLAFYKAWRG-GDBMZVCRSA-N 1 0 358.394 2.838 20 5 FFBDRO CCn1c(C)nc([N+](=O)[O-])c1N(CC[NH+](C)C)Cc1cccc(OC)c1 ZINC000568316761 518977346 /nfs/dbraw/zinc/97/73/46/518977346.db2.gz PKXYIIRHQQYSFI-UHFFFAOYSA-N 1 0 361.446 2.696 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(CN2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000589501891 519020591 /nfs/dbraw/zinc/02/05/91/519020591.db2.gz JQORMEMNDYDLSX-QGZVFWFLSA-N 1 0 361.442 2.832 20 5 FFBDRO CC[N@H+](CCNC(=O)NCc1cccc([N+](=O)[O-])c1)CCC(F)(F)F ZINC000577337998 519027285 /nfs/dbraw/zinc/02/72/85/519027285.db2.gz LVPCWOOKXKUMTO-UHFFFAOYSA-N 1 0 362.352 2.668 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)c1 ZINC000574192822 519033828 /nfs/dbraw/zinc/03/38/28/519033828.db2.gz MUVRFGOONWVOQE-OSAQELSMSA-N 1 0 371.224 2.605 20 5 FFBDRO C[C@H]1COCC[N@@H+]1C1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000577384177 519053717 /nfs/dbraw/zinc/05/37/17/519053717.db2.gz RXMAAWHMVXHBMU-LBPRGKRZSA-N 1 0 355.385 2.558 20 5 FFBDRO C[C@@H]1CC(CC[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000571515838 519135135 /nfs/dbraw/zinc/13/51/35/519135135.db2.gz AQYVNPUBQIDHGD-ZIAGYGMSSA-N 1 0 370.471 2.552 20 5 FFBDRO C[C@H](O)C[N@@H+]1CCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)[C@@H](C)C1 ZINC000590174900 519169283 /nfs/dbraw/zinc/16/92/83/519169283.db2.gz DFXCIZNUWNMRSN-RYUDHWBXSA-N 1 0 361.364 2.501 20 5 FFBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000577636209 519180886 /nfs/dbraw/zinc/18/08/86/519180886.db2.gz MDBUTJBTVVFQIF-KBXIAJHMSA-N 1 0 362.474 2.933 20 5 FFBDRO CC(C)[C@@]1(CO)CCC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000590378298 519210592 /nfs/dbraw/zinc/21/05/92/519210592.db2.gz SUZDPAPXZAUIFZ-SFHVURJKSA-N 1 0 350.415 2.597 20 5 FFBDRO COc1cccc(C[C@@H](C)[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000577722657 519223000 /nfs/dbraw/zinc/22/30/00/519223000.db2.gz VYZUVPUAXWFMFU-ZBFHGGJFSA-N 1 0 360.410 2.564 20 5 FFBDRO CS[C@H]1CN(c2ccc([N+](=O)[O-])c(OC(C)C)n2)C[C@@H]1[NH+]1CCCC1 ZINC000583392191 519225538 /nfs/dbraw/zinc/22/55/38/519225538.db2.gz XZIUYTUBTKWTSY-GJZGRUSLSA-N 1 0 366.487 2.793 20 5 FFBDRO [NH3+]C[C@@H]1CCCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000580538340 519227374 /nfs/dbraw/zinc/22/73/74/519227374.db2.gz XLYMVUPZUFEVLY-VIFPVBQESA-N 1 0 357.208 2.560 20 5 FFBDRO C[C@H]1CCC[C@H](CN(CC[NH3+])c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000580678083 519296209 /nfs/dbraw/zinc/29/62/09/519296209.db2.gz VJCLUAFBYFKWCM-KBPBESRZSA-N 1 0 369.487 2.590 20 5 FFBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+][C@@H]1CCO[C@@H](c3ccccn3)C1)OCCO2 ZINC000590661369 519305339 /nfs/dbraw/zinc/30/53/39/519305339.db2.gz DWPDSJUQDQKCQL-RHSMWYFYSA-N 1 0 371.393 2.771 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2ccc(OC3CCCCC3)cc2)c1 ZINC000574749844 519313476 /nfs/dbraw/zinc/31/34/76/519313476.db2.gz CFDJJQJYILPTGH-QGZVFWFLSA-N 1 0 374.441 2.654 20 5 FFBDRO COc1cccc([N+](=O)[O-])c1N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000574842842 519359922 /nfs/dbraw/zinc/35/99/22/519359922.db2.gz ILLHRQSDPAUKOW-HUUCEWRRSA-N 1 0 363.458 2.929 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N[C@@H](CC[NH3+])C(F)F)cc2[N+](=O)[O-])C1 ZINC000566215077 519373172 /nfs/dbraw/zinc/37/31/72/519373172.db2.gz UECXXYAZEAIVKZ-YPMHNXCESA-N 1 0 370.400 2.543 20 5 FFBDRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000590806562 519380471 /nfs/dbraw/zinc/38/04/71/519380471.db2.gz RMMICKYRKJIOBK-ZWKOTPCHSA-N 1 0 372.469 2.968 20 5 FFBDRO COC(=O)COc1ccc(C[N@H+](Cc2cccnc2)C(C)C)cc1[N+](=O)[O-] ZINC000580860971 519395087 /nfs/dbraw/zinc/39/50/87/519395087.db2.gz PQZDYDVRQUQTSW-UHFFFAOYSA-N 1 0 373.409 2.952 20 5 FFBDRO Cc1cccc(C)c1OC[C@@H](O)C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000574983370 519436583 /nfs/dbraw/zinc/43/65/83/519436583.db2.gz HEQGWWDFUYRARY-HNNXBMFYSA-N 1 0 370.409 2.617 20 5 FFBDRO COc1cc[nH+]c(N2CCN(c3nc4c(cc3[N+](=O)[O-])CCCC4)CC2)c1 ZINC000578233633 519489235 /nfs/dbraw/zinc/48/92/35/519489235.db2.gz ICYMOOLTHCXVMC-UHFFFAOYSA-N 1 0 369.425 2.599 20 5 FFBDRO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCC[N@H+](CC2CCC2)CC1 ZINC000566570146 519556869 /nfs/dbraw/zinc/55/68/69/519556869.db2.gz GBIRBHZVXBOMHQ-UHFFFAOYSA-N 1 0 367.396 2.750 20 5 FFBDRO O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000591297622 519580057 /nfs/dbraw/zinc/58/00/57/519580057.db2.gz KMSCETHDJRUEDZ-JOYOIKCWSA-N 1 0 358.320 2.829 20 5 FFBDRO Cc1c(NC(=O)NCC[NH2+]C2CC2)cc(Br)cc1[N+](=O)[O-] ZINC000591304771 519580861 /nfs/dbraw/zinc/58/08/61/519580861.db2.gz OIGXCZNCJOWNEO-UHFFFAOYSA-N 1 0 357.208 2.539 20 5 FFBDRO O=C(NCc1nccn1CC(F)(F)F)Nc1ccc([N+](=O)[O-])cc1F ZINC000572412326 519599981 /nfs/dbraw/zinc/59/99/81/519599981.db2.gz CVLLBZUVZGQNOQ-UHFFFAOYSA-N 1 0 361.255 2.814 20 5 FFBDRO C[C@@H]1Cc2ccccc2N1CC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000569568076 519614428 /nfs/dbraw/zinc/61/44/28/519614428.db2.gz CFFUAAPQFSQAFY-OAHLLOKOSA-N 1 0 368.437 2.964 20 5 FFBDRO CCC(C)(C)[NH+]1CCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000594389459 519933659 /nfs/dbraw/zinc/93/36/59/519933659.db2.gz ITHKVPJBGHGRSH-UHFFFAOYSA-N 1 0 355.385 2.748 20 5 FFBDRO C[NH+](C)C[C@]1(O)CCCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000602877442 519944591 /nfs/dbraw/zinc/94/45/91/519944591.db2.gz NOPSGOQEEFDKRF-OAHLLOKOSA-N 1 0 361.364 2.502 20 5 FFBDRO CCOc1cc(C[NH2+][C@@H]([C@@H]2CCCO2)C2(CO)CCC2)ccc1[N+](=O)[O-] ZINC000602891748 519952603 /nfs/dbraw/zinc/95/26/03/519952603.db2.gz OLPBUSFINJZTGX-WMZOPIPTSA-N 1 0 364.442 2.793 20 5 FFBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N(C)CCC[NH3+])cc1 ZINC000591678991 519994184 /nfs/dbraw/zinc/99/41/84/519994184.db2.gz MLDKHQIMVYHJTK-UHFFFAOYSA-N 1 0 359.382 2.817 20 5 FFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H](C)C(=O)OC(C)(C)C ZINC000594514321 520009572 /nfs/dbraw/zinc/00/95/72/520009572.db2.gz NVEKWKOMPFXEKC-CHWSQXEVSA-N 1 0 365.430 2.879 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2CCOc3ccc(F)cc32)c1 ZINC000591735570 520015960 /nfs/dbraw/zinc/01/59/60/520015960.db2.gz MEFVRUHVBXUEOF-RHSMWYFYSA-N 1 0 362.357 2.587 20 5 FFBDRO CC(C)(C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCCCO1 ZINC000591753718 520023228 /nfs/dbraw/zinc/02/32/28/520023228.db2.gz GSNRPPSKWKEGBJ-RDJZCZTQSA-N 1 0 352.431 2.519 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H]1CCO[C@@H](c2ccccc2)C1 ZINC000591760891 520026194 /nfs/dbraw/zinc/02/61/94/520026194.db2.gz QQTDAFMPPWIZCE-SQGPQFPESA-N 1 0 372.421 2.844 20 5 FFBDRO O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CC[NH2+]C2(CCCCC2)C1 ZINC000594628768 520061576 /nfs/dbraw/zinc/06/15/76/520061576.db2.gz JBUDJMZYEAZPGZ-UHFFFAOYSA-N 1 0 369.425 2.529 20 5 FFBDRO Cc1ccccc1CC1C[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000612678043 520085321 /nfs/dbraw/zinc/08/53/21/520085321.db2.gz UGDOSOWDUFQXIC-GOSISDBHSA-N 1 0 356.422 2.817 20 5 FFBDRO CCOC(=O)c1[nH]c(C)c(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])c1C ZINC000600161489 520089878 /nfs/dbraw/zinc/08/98/78/520089878.db2.gz NKHKPFJYAZIUCN-UHFFFAOYSA-N 1 0 360.414 2.682 20 5 FFBDRO [NH3+]Cc1ccc(C(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])o1 ZINC000591934137 520093784 /nfs/dbraw/zinc/09/37/84/520093784.db2.gz KMHTWZDLSZMDLV-UHFFFAOYSA-N 1 0 372.303 2.507 20 5 FFBDRO Cc1ccc(Sc2ccc(C[NH+](CCO)CCO)cc2[N+](=O)[O-])cc1 ZINC000600179413 520104835 /nfs/dbraw/zinc/10/48/35/520104835.db2.gz PLWXFOYBPLQKLD-UHFFFAOYSA-N 1 0 362.451 2.841 20 5 FFBDRO O=C(NCC12CCC[NH+]1CCC2)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000597587767 520120943 /nfs/dbraw/zinc/12/09/43/520120943.db2.gz XDHKWJBLRRPARB-UHFFFAOYSA-N 1 0 372.469 2.556 20 5 FFBDRO COc1cc(C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000600205842 520124065 /nfs/dbraw/zinc/12/40/65/520124065.db2.gz AVRQOKGHIKOYRW-GXTWGEPZSA-N 1 0 372.368 2.904 20 5 FFBDRO CC[C@H]1C[N@H+](C)CCCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000597604757 520130614 /nfs/dbraw/zinc/13/06/14/520130614.db2.gz KFIKXRAZOPWMJQ-ZDUSSCGKSA-N 1 0 370.247 2.914 20 5 FFBDRO CCn1ccc(C[N@H+](C)CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])c1 ZINC000616785508 520139360 /nfs/dbraw/zinc/13/93/60/520139360.db2.gz WYTIIXZHASBEIT-UHFFFAOYSA-N 1 0 360.414 2.885 20 5 FFBDRO Cc1ccc(C)c(S(=O)(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000594793940 520161727 /nfs/dbraw/zinc/16/17/27/520161727.db2.gz WUTUVIZDBSJQCT-AWEZNQCLSA-N 1 0 369.487 2.610 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCC[N@H+](C)C2)cc1SC ZINC000600314791 520200353 /nfs/dbraw/zinc/20/03/53/520200353.db2.gz POZFCMHXWNOVFZ-LBPRGKRZSA-N 1 0 367.471 2.787 20 5 FFBDRO Cc1ccc(C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC2CC2)cn1 ZINC000592145727 520224637 /nfs/dbraw/zinc/22/46/37/520224637.db2.gz ZKGUGJCRMVRLIC-LJQANCHMSA-N 1 0 371.437 2.950 20 5 FFBDRO COc1ccc(CNC(=O)NC[C@H](C(C)C)[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000609211787 520232627 /nfs/dbraw/zinc/23/26/27/520232627.db2.gz VQRNMIIMVSRQGY-MRXNPFEDSA-N 1 0 364.446 2.523 20 5 FFBDRO COc1cc(N2CCC([N@@H+]3CCOC[C@@H]3C)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000603399450 520246779 /nfs/dbraw/zinc/24/67/79/520246779.db2.gz ATQPTGNZQFKEDM-LBPRGKRZSA-N 1 0 369.849 2.946 20 5 FFBDRO C[C@H]1COCC[N@@H+]1C1CCN(c2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000603401249 520247278 /nfs/dbraw/zinc/24/72/78/520247278.db2.gz KNKYFHBSICDLGW-AWEZNQCLSA-N 1 0 356.426 2.833 20 5 FFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCC[C@@H]([S@](C)=O)C1 ZINC000595059539 520274365 /nfs/dbraw/zinc/27/43/65/520274365.db2.gz FBVVKMPQQJHCKA-KKJFCJBYSA-N 1 0 367.471 2.591 20 5 FFBDRO C[NH+](C)C[C@@H](NC(=O)c1c[nH]nc1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000600473153 520280573 /nfs/dbraw/zinc/28/05/73/520280573.db2.gz SBLUNVYKJZNOKP-GFCCVEGCSA-N 1 0 372.212 2.657 20 5 FFBDRO CC[NH+](CC)CCOc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000603668007 520338692 /nfs/dbraw/zinc/33/86/92/520338692.db2.gz YMARQCPEQNAHMR-UHFFFAOYSA-N 1 0 374.441 2.584 20 5 FFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000603756468 520355466 /nfs/dbraw/zinc/35/54/66/520355466.db2.gz QQEHUXYIZRTSEZ-KGLIPLIRSA-N 1 0 351.472 2.924 20 5 FFBDRO COc1cc(CNC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)c([N+](=O)[O-])cc1O ZINC000592376482 520358265 /nfs/dbraw/zinc/35/82/65/520358265.db2.gz SJRIHDCRGJPKLG-SJORKVTESA-N 1 0 371.437 2.744 20 5 FFBDRO CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)[C@@H]1SC ZINC000592393494 520364863 /nfs/dbraw/zinc/36/48/63/520364863.db2.gz BPWNLRLTPFTVJM-SSZWKKLZSA-N 1 0 354.476 2.774 20 5 FFBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000595236246 520366871 /nfs/dbraw/zinc/36/68/71/520366871.db2.gz XTTIKLZAYQCLSV-SFHVURJKSA-N 1 0 370.409 2.620 20 5 FFBDRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000595256832 520375066 /nfs/dbraw/zinc/37/50/66/520375066.db2.gz USLQNIVBCOBXHS-ROUUACIJSA-N 1 0 369.421 2.787 20 5 FFBDRO Cn1cc(CN2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000592426366 520385670 /nfs/dbraw/zinc/38/56/70/520385670.db2.gz ZHRASMKHLCLPAC-APWZRJJASA-N 1 0 369.469 2.959 20 5 FFBDRO C[C@@H]([NH3+])[C@H]1CN(Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CCO1 ZINC000592428620 520387451 /nfs/dbraw/zinc/38/74/51/520387451.db2.gz IROUJFBXXHOXKR-FOIQADDNSA-N 1 0 370.453 2.911 20 5 FFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cnn2c1[C@H](C[NH3+])CCC2 ZINC000592501140 520422177 /nfs/dbraw/zinc/42/21/77/520422177.db2.gz IHGUVRYJQGLZFP-HNNXBMFYSA-N 1 0 371.441 2.678 20 5 FFBDRO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000609758170 520422223 /nfs/dbraw/zinc/42/22/23/520422223.db2.gz NOUKHRXLUCVXKX-WMLDXEAASA-N 1 0 356.426 2.635 20 5 FFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000609792955 520433300 /nfs/dbraw/zinc/43/33/00/520433300.db2.gz ZXKRMJHLCREVOA-HNNXBMFYSA-N 1 0 351.834 2.878 20 5 FFBDRO CCC[N@H+](C)CC(C)(C)NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000595382584 520441407 /nfs/dbraw/zinc/44/14/07/520441407.db2.gz XCZWLDJGJBPSPU-UHFFFAOYSA-N 1 0 363.867 2.647 20 5 FFBDRO CC[C@H](NC(=O)c1cnn2c1[C@@H](C[NH3+])CCC2)c1cccc([N+](=O)[O-])c1 ZINC000592538541 520447883 /nfs/dbraw/zinc/44/78/83/520447883.db2.gz SYSAHNVNKYAOQU-CJNGLKHVSA-N 1 0 357.414 2.509 20 5 FFBDRO Cc1ccccc1[C@@H]1C[C@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000600757187 520451779 /nfs/dbraw/zinc/45/17/79/520451779.db2.gz KWKSRKFSAXHMOF-ZWKOTPCHSA-N 1 0 360.435 2.823 20 5 FFBDRO CCOc1ccc(C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000592554599 520453843 /nfs/dbraw/zinc/45/38/43/520453843.db2.gz IQOUYINBTKOARY-HZPDHXFCSA-N 1 0 361.442 2.845 20 5 FFBDRO C[C@H]1C[C@H](C)CN(c2ccc(C(=O)N(C)CC3C[NH+](C)C3)cc2[N+](=O)[O-])C1 ZINC000598165485 520462155 /nfs/dbraw/zinc/46/21/55/520462155.db2.gz YCVGUVXYWVDGFC-GJZGRUSLSA-N 1 0 374.485 2.711 20 5 FFBDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000598260339 520525092 /nfs/dbraw/zinc/52/50/92/520525092.db2.gz AYEDYTYQZUSNCY-HNNXBMFYSA-N 1 0 371.441 2.631 20 5 FFBDRO CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000598341602 520563916 /nfs/dbraw/zinc/56/39/16/520563916.db2.gz DLQOANIIEYDNCN-YPMHNXCESA-N 1 0 355.822 2.616 20 5 FFBDRO COc1ccc(OCC[N@H+](C)[C@H](CO)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000595596568 520581221 /nfs/dbraw/zinc/58/12/21/520581221.db2.gz OTRSVYLOMUCONR-INIZCTEOSA-N 1 0 360.410 2.518 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@@H](CO)Cc1ccccc1 ZINC000595599573 520582257 /nfs/dbraw/zinc/58/22/57/520582257.db2.gz YTASPECUXZLEBE-GOSISDBHSA-N 1 0 371.437 2.767 20 5 FFBDRO CNc1ccc(C(=O)Nc2cccc(OCC[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000604530357 520592004 /nfs/dbraw/zinc/59/20/04/520592004.db2.gz IIBCSZFZWLBMCP-UHFFFAOYSA-N 1 0 358.398 2.829 20 5 FFBDRO CCCN(C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C)C1 ZINC000592828859 520605115 /nfs/dbraw/zinc/60/51/15/520605115.db2.gz KFWMLAZFEMPZQU-GFCCVEGCSA-N 1 0 357.357 2.753 20 5 FFBDRO CCOc1cc(C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000604561618 520606444 /nfs/dbraw/zinc/60/64/44/520606444.db2.gz NOJFVKQMJFWNRO-ZDUSSCGKSA-N 1 0 365.430 2.605 20 5 FFBDRO CC(C)c1ccc(C(=O)N2CCOC3(CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000592898095 520642556 /nfs/dbraw/zinc/64/25/56/520642556.db2.gz BUMYQNLUWPMYPM-UHFFFAOYSA-N 1 0 361.442 2.655 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC2(CCC2)OC[C@H]1C ZINC000595684062 520645483 /nfs/dbraw/zinc/64/54/83/520645483.db2.gz ZXGKIWXTBBCNLH-CYBMUJFWSA-N 1 0 363.414 2.575 20 5 FFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](n1cncn1)C(F)(F)F ZINC000601144372 520658317 /nfs/dbraw/zinc/65/83/17/520658317.db2.gz SSSTZLDWAAGRHX-JAYGETEZSA-N 1 0 355.320 2.983 20 5 FFBDRO COC(=O)c1cc(C)nc(N2CCC(C)([NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC000601216595 520690836 /nfs/dbraw/zinc/69/08/36/520690836.db2.gz SVBPHGXBLNXOIX-UHFFFAOYSA-N 1 0 362.430 2.540 20 5 FFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@]2(CO)CCCN(Cc3ccccc3)C2)c(F)c1 ZINC000610481134 520709088 /nfs/dbraw/zinc/70/90/88/520709088.db2.gz JUWSGSCHFSIKGZ-HXUWFJFHSA-N 1 0 373.428 2.851 20 5 FFBDRO O=[N+]([O-])c1ccn(CC[N@H+](Cc2ccc3c(c2)OCO3)C2CCCC2)n1 ZINC000610484879 520710665 /nfs/dbraw/zinc/71/06/65/520710665.db2.gz XKMGUXXZZAQNBN-UHFFFAOYSA-N 1 0 358.398 2.965 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H](OC(C)C)C1 ZINC000593054904 520711624 /nfs/dbraw/zinc/71/16/24/520711624.db2.gz HQYIOLWWGWBHCH-OAHLLOKOSA-N 1 0 365.430 2.821 20 5 FFBDRO CC(C)[C@@H]1CN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[NH2+]1 ZINC000598569754 520714059 /nfs/dbraw/zinc/71/40/59/520714059.db2.gz DMLBOSPFPDSNKD-AWEZNQCLSA-N 1 0 360.439 2.788 20 5 FFBDRO COC[C@](C)(CO)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000610518998 520725347 /nfs/dbraw/zinc/72/53/47/520725347.db2.gz PIJUPMKUXDJPRH-INIZCTEOSA-N 1 0 354.790 2.995 20 5 FFBDRO COC(=O)c1ccnc(NC[C@H](C)[N@@H+]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000598585925 520727565 /nfs/dbraw/zinc/72/75/65/520727565.db2.gz BKXJHXKSRDFYBG-ZDUSSCGKSA-N 1 0 370.409 2.635 20 5 FFBDRO COC(=O)c1ccnc(NC[C@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000598620473 520748307 /nfs/dbraw/zinc/74/83/07/520748307.db2.gz AYBVJCPUGSIXCJ-OAHLLOKOSA-N 1 0 370.409 2.710 20 5 FFBDRO [NH3+][C@@]12CCC[C@@H]1CN(C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000598668636 520776023 /nfs/dbraw/zinc/77/60/23/520776023.db2.gz CLSZFICZBNMGNN-MEBBXXQBSA-N 1 0 355.847 2.680 20 5 FFBDRO CCOC(=O)CC1([NH2+]Cc2ccc([N+](=O)[O-])c(OCC)c2)CCOCC1 ZINC000595876301 520784594 /nfs/dbraw/zinc/78/45/94/520784594.db2.gz BOBWGTQYWAKQQL-UHFFFAOYSA-N 1 0 366.414 2.586 20 5 FFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[NH+](CC2(O)CCC2)CC1 ZINC000610705946 520805150 /nfs/dbraw/zinc/80/51/50/520805150.db2.gz ODAKLRUNKSXJTE-UHFFFAOYSA-N 1 0 359.348 2.651 20 5 FFBDRO COc1cc(CN2C[C@@H]3CCC[C@@]3([NH3+])C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000598722301 520810978 /nfs/dbraw/zinc/81/09/78/520810978.db2.gz YDXAFFOWOGUOJK-YVEFUNNKSA-N 1 0 371.384 2.561 20 5 FFBDRO O=C1[C@@H]([N@H+]2C[C@]34COC[C@@]3(C2)CCCC4)CCN1c1cccc([N+](=O)[O-])c1 ZINC000595909281 520814189 /nfs/dbraw/zinc/81/41/89/520814189.db2.gz LDMOJZSHHDKQKT-YSIASYRMSA-N 1 0 371.437 2.593 20 5 FFBDRO CCC1([NH+](C)C)CCN(S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)CC1 ZINC000601502973 520816202 /nfs/dbraw/zinc/81/62/02/520816202.db2.gz WWDXNEXAVRKWQS-UHFFFAOYSA-N 1 0 369.487 2.707 20 5 FFBDRO CC(C)[C@H]([NH3+])CCNC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000595952307 520836144 /nfs/dbraw/zinc/83/61/44/520836144.db2.gz YMNJBNLOBMEPFN-MRXNPFEDSA-N 1 0 362.474 2.934 20 5 FFBDRO CC(C)[C@H]([NH3+])CCNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000595951327 520836397 /nfs/dbraw/zinc/83/63/97/520836397.db2.gz PRSNIMHHZBQNEN-GFCCVEGCSA-N 1 0 363.336 2.639 20 5 FFBDRO O=[N+]([O-])c1cc(N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)ccc1C(F)(F)F ZINC000596112272 520919161 /nfs/dbraw/zinc/91/91/61/520919161.db2.gz LUCNIVRMTIHCMX-UKRRQHHQSA-N 1 0 359.348 2.649 20 5 FFBDRO COC(=O)c1c(Cl)c(N[C@@H]2CC[N@H+](CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000596121230 520924972 /nfs/dbraw/zinc/92/49/72/520924972.db2.gz XRELUSDNAHJEMT-LLVKDONJSA-N 1 0 353.806 2.931 20 5 FFBDRO COC(=O)c1c(Cl)c(N[C@H]2CC[N@H+](CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000596121231 520925384 /nfs/dbraw/zinc/92/53/84/520925384.db2.gz XRELUSDNAHJEMT-NSHDSACASA-N 1 0 353.806 2.931 20 5 FFBDRO COc1cc(C[NH2+][C@H]2CCc3cc(O)ccc3C2)c([N+](=O)[O-])cc1OC ZINC000618197877 520929644 /nfs/dbraw/zinc/92/96/44/520929644.db2.gz OQUHEJDMEOYUMR-HNNXBMFYSA-N 1 0 358.394 2.965 20 5 FFBDRO COc1cc(NC2CC[NH+]([C@H]3CCOC3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596167575 520948410 /nfs/dbraw/zinc/94/84/10/520948410.db2.gz LONGCRXXILBPMW-LBPRGKRZSA-N 1 0 355.822 2.922 20 5 FFBDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000593406137 520971294 /nfs/dbraw/zinc/97/12/94/520971294.db2.gz BHQOZWMEAYGQHZ-CQSZACIVSA-N 1 0 351.422 2.905 20 5 FFBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593419612 520981138 /nfs/dbraw/zinc/98/11/38/520981138.db2.gz HYOAHERHGMZXEV-HZSPNIEDSA-N 1 0 351.422 2.759 20 5 FFBDRO CC[N@@H+]1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@@H]1C ZINC000611093891 520983300 /nfs/dbraw/zinc/98/33/00/520983300.db2.gz MHTIDANJOLBLOE-JTQLQIEISA-N 1 0 358.345 2.754 20 5 FFBDRO C[N@@H+]1CCCC[C@@H]1CN1CCN(c2ccnc3cc([N+](=O)[O-])ccc32)CC1 ZINC000593463437 521009485 /nfs/dbraw/zinc/00/94/85/521009485.db2.gz VIIQRIMMHSRSFS-QGZVFWFLSA-N 1 0 369.469 2.749 20 5 FFBDRO COc1cc(N2CCC[C@H]([NH+]3CCOCC3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596295235 521012577 /nfs/dbraw/zinc/01/25/77/521012577.db2.gz RJGXGMMNRVVHOW-ZDUSSCGKSA-N 1 0 369.849 2.948 20 5 FFBDRO O=C(NCC[NH+]1CCCCC1)c1c(Br)cccc1[N+](=O)[O-] ZINC000599071520 521014737 /nfs/dbraw/zinc/01/47/37/521014737.db2.gz XHJKHXPJWYDBIC-UHFFFAOYSA-N 1 0 356.220 2.573 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@H]1CNc1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000596309861 521021537 /nfs/dbraw/zinc/02/15/37/521021537.db2.gz YSDHJNLWDCRFCV-INIZCTEOSA-N 1 0 362.474 2.712 20 5 FFBDRO Nc1c(F)c(NCC2CC[NH+](C3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000596314689 521022793 /nfs/dbraw/zinc/02/27/93/521022793.db2.gz LZEXBKXYCPEKPR-UHFFFAOYSA-N 1 0 352.410 2.619 20 5 FFBDRO CC(C)(C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)C(=O)N1CCCC1 ZINC000599087721 521024916 /nfs/dbraw/zinc/02/49/16/521024916.db2.gz FOHRJJVNFHFMQB-CABCVRRESA-N 1 0 363.462 2.513 20 5 FFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[N@H+](CCOC)C1 ZINC000611204217 521034554 /nfs/dbraw/zinc/03/45/54/521034554.db2.gz CCIVAQAEFPCPKX-ZDUSSCGKSA-N 1 0 367.471 2.547 20 5 FFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCn2ccc(C(F)(F)F)n2)n1 ZINC000601963835 521044919 /nfs/dbraw/zinc/04/49/19/521044919.db2.gz NZAVKPGNJYAMPL-NEPJUHHUSA-N 1 0 372.351 2.780 20 5 FFBDRO CC1(C)C[NH2+]CC[C@@H](NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000601978566 521055624 /nfs/dbraw/zinc/05/56/24/521055624.db2.gz YVEACSRLUJOVEL-CYBMUJFWSA-N 1 0 369.849 2.912 20 5 FFBDRO COc1cc(N2CCC(C)([NH+]3CCOCC3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000599159646 521063020 /nfs/dbraw/zinc/06/30/20/521063020.db2.gz FCWVPGIVNNBKLB-UHFFFAOYSA-N 1 0 369.849 2.948 20 5 FFBDRO Cc1cc(N2CC[C@H](N(C)C(=O)N(C)C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000596517949 521112371 /nfs/dbraw/zinc/11/23/71/521112371.db2.gz GQOGWGCQRONIAG-AWEZNQCLSA-N 1 0 357.414 2.644 20 5 FFBDRO COc1cc(C[NH2+]C[C@]2(CO)CCc3ccccc32)c([N+](=O)[O-])cc1OC ZINC000593653148 521133534 /nfs/dbraw/zinc/13/35/34/521133534.db2.gz UTYLFILFIDSFJA-FQEVSTJZSA-N 1 0 372.421 2.578 20 5 FFBDRO CS(=O)(=O)c1ccc(NC[C@H]2CCC[N@H+](CC3CC3)C2)c([N+](=O)[O-])c1 ZINC000596570441 521137641 /nfs/dbraw/zinc/13/76/41/521137641.db2.gz LCAIPLJARBFHSJ-CQSZACIVSA-N 1 0 367.471 2.532 20 5 FFBDRO C[NH+]1CCN(c2cc(-c3noc(-c4ccc([N+](=O)[O-])s4)n3)ccn2)CC1 ZINC000596602203 521161621 /nfs/dbraw/zinc/16/16/21/521161621.db2.gz IBXPWYZKEYIHQJ-UHFFFAOYSA-N 1 0 372.410 2.520 20 5 FFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC[C@]1(O)CCCOC1 ZINC000593719820 521174338 /nfs/dbraw/zinc/17/43/38/521174338.db2.gz HQYIRKUUCSQOOP-RHSMWYFYSA-N 1 0 354.472 2.987 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@@H]([NH+](C)C)C2(C)C)cc1SC ZINC000602168260 521183313 /nfs/dbraw/zinc/18/33/13/521183313.db2.gz BVCIMVNSBQUBPF-LSDHHAIUSA-N 1 0 367.471 2.784 20 5 FFBDRO C[C@@H](NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000611513265 521196450 /nfs/dbraw/zinc/19/64/50/521196450.db2.gz WCCFVTQAYVSGFO-GFCCVEGCSA-N 1 0 368.865 2.820 20 5 FFBDRO Cc1c(NC(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cccc1[N+](=O)[O-] ZINC000593758979 521197321 /nfs/dbraw/zinc/19/73/21/521197321.db2.gz QRDGXKRMHNOBNF-ZQIUZPCESA-N 1 0 362.430 2.653 20 5 FFBDRO CCc1ccc([C@@H](CNc2cc(N)c([N+](=O)[O-])c(CO)c2)[NH+](C)C)cc1 ZINC000611525220 521202846 /nfs/dbraw/zinc/20/28/46/521202846.db2.gz OILOMMNWJACBMY-GOSISDBHSA-N 1 0 358.442 2.947 20 5 FFBDRO C[C@@H]1CC[C@H](C(F)(F)F)C[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000611554933 521216718 /nfs/dbraw/zinc/21/67/18/521216718.db2.gz CJWKJWYKDQNEHI-MBNYWOFBSA-N 1 0 362.348 2.997 20 5 FFBDRO COc1cc(N2C[C@@H](SC)[C@@H]([NH+]3CCCC3)C2)c(F)cc1[N+](=O)[O-] ZINC000614978050 521218659 /nfs/dbraw/zinc/21/86/59/521218659.db2.gz VBGXQPUXRRERRB-GOEBONIOSA-N 1 0 355.435 2.759 20 5 FFBDRO COc1cc(N2C[C@@H]([NH+]3CCCC3)[C@@H](SC)C2)c([N+](=O)[O-])cc1F ZINC000614977762 521219116 /nfs/dbraw/zinc/21/91/16/521219116.db2.gz IQMSWEUZMQEYFI-ZBFHGGJFSA-N 1 0 355.435 2.759 20 5 FFBDRO COC(=O)[C@H]1CCCCC[N@@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000611576180 521230016 /nfs/dbraw/zinc/23/00/16/521230016.db2.gz ODAFVNWTVIBZQC-MRXNPFEDSA-N 1 0 363.414 2.649 20 5 FFBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC000602291266 521263132 /nfs/dbraw/zinc/26/31/32/521263132.db2.gz KMMMPWIRIWFLBW-CRAIPNDOSA-N 1 0 357.454 2.959 20 5 FFBDRO Nc1cc(NCC2CC[NH+](Cc3ccccc3)CC2)cc(CO)c1[N+](=O)[O-] ZINC000618896955 521282459 /nfs/dbraw/zinc/28/24/59/521282459.db2.gz UPXNQFRZROISMM-UHFFFAOYSA-N 1 0 370.453 2.993 20 5 FFBDRO [NH3+]Cc1ccc(CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)c(F)c1 ZINC000593917863 521291230 /nfs/dbraw/zinc/29/12/30/521291230.db2.gz ZCRUCKIFWOSADB-UHFFFAOYSA-N 1 0 358.373 2.697 20 5 FFBDRO CCOc1cc(C(=O)N2CCC[C@H](C)[C@@H]2CC[NH3+])c([N+](=O)[O-])cc1OC ZINC000593933943 521298685 /nfs/dbraw/zinc/29/86/85/521298685.db2.gz GYWXYOQZKMTZHY-JSGCOSHPSA-N 1 0 365.430 2.592 20 5 FFBDRO Cc1ccc(NC(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000599588452 521311465 /nfs/dbraw/zinc/31/14/65/521311465.db2.gz PAOZQHOQVOHBGV-PWSUYJOCSA-N 1 0 360.336 2.894 20 5 FFBDRO Cc1ccc(NC(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000599588454 521315773 /nfs/dbraw/zinc/31/57/73/521315773.db2.gz PAOZQHOQVOHBGV-ZYHUDNBSSA-N 1 0 360.336 2.894 20 5 FFBDRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000599604479 521326878 /nfs/dbraw/zinc/32/68/78/521326878.db2.gz QABMQTDKXXZXSY-ZDUSSCGKSA-N 1 0 371.235 2.819 20 5 FFBDRO CC(C)[NH2+]C1(CO)CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000593999234 521338756 /nfs/dbraw/zinc/33/87/56/521338756.db2.gz CWHJFWAMKWBUMH-UHFFFAOYSA-N 1 0 374.441 2.575 20 5 FFBDRO COc1cc(C[N@@H+]2C[C@@H]3CCC[C@]3(CO)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000599639630 521351240 /nfs/dbraw/zinc/35/12/40/521351240.db2.gz KQLODDVPDVHQLE-YVEFUNNKSA-N 1 0 372.368 2.799 20 5 FFBDRO Cn1cc(CN2CCC(C[N@H+](C)Cc3ccccc3)CC2)c([N+](=O)[O-])n1 ZINC000602459841 521359669 /nfs/dbraw/zinc/35/96/69/521359669.db2.gz VCZMDIKFXSYDLT-UHFFFAOYSA-N 1 0 357.458 2.672 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](CC(=O)OC(C)C)C(C)C ZINC000594042510 521368851 /nfs/dbraw/zinc/36/88/51/521368851.db2.gz UEURMCFZTNRZKS-HNNXBMFYSA-N 1 0 365.430 2.798 20 5 FFBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]C3CCN(c4ccccn4)CC3)nc2c1 ZINC000602515578 521390952 /nfs/dbraw/zinc/39/09/52/521390952.db2.gz QEFPXNGABJGYGR-UHFFFAOYSA-N 1 0 353.382 2.890 20 5 FFBDRO COc1ccc([C@@H]2CC[N@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)cc1F ZINC000599677128 521391552 /nfs/dbraw/zinc/39/15/52/521391552.db2.gz HCXPCWCIFHSSSL-CQSZACIVSA-N 1 0 373.384 2.831 20 5 FFBDRO CN(CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C1CCCCC1 ZINC000602528315 521396578 /nfs/dbraw/zinc/39/65/78/521396578.db2.gz OSCVOJXASSSGBQ-UHFFFAOYSA-N 1 0 361.490 2.813 20 5 FFBDRO Cc1c(Br)cc(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000594103260 521405656 /nfs/dbraw/zinc/40/56/56/521405656.db2.gz XHGANHWXUXPMNH-KLPPZKSPSA-N 1 0 370.247 2.736 20 5 FFBDRO COC(=O)[C@@H]1C[C@@H](C)[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000599699190 521410764 /nfs/dbraw/zinc/41/07/64/521410764.db2.gz XMDZMAASSCNRJG-BTTYYORXSA-N 1 0 363.414 2.585 20 5 FFBDRO CC(C)[C@@H]1OCCC[C@@H]1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602562850 521411689 /nfs/dbraw/zinc/41/16/89/521411689.db2.gz JSOJVCAPENWZED-BEFAXECRSA-N 1 0 362.474 2.999 20 5 FFBDRO CC(C)(C)NC(=O)CC[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602567085 521413846 /nfs/dbraw/zinc/41/38/46/521413846.db2.gz UHVWTOBPVJIURM-UHFFFAOYSA-N 1 0 364.265 2.813 20 5 FFBDRO Cc1nc(CC[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)sc1C ZINC000602577363 521418942 /nfs/dbraw/zinc/41/89/42/521418942.db2.gz SHJMJYPOZRUIID-UHFFFAOYSA-N 1 0 361.471 2.864 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3[C@@H]4CCO[C@H]4C34CCC4)CC2)cn1 ZINC000602582945 521423165 /nfs/dbraw/zinc/42/31/65/521423165.db2.gz ZFMCXPRVXPUWGE-CGTJXYLNSA-N 1 0 358.442 2.506 20 5 FFBDRO [NH3+]C[C@@H]1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])c2ccccc21 ZINC000602621660 521441948 /nfs/dbraw/zinc/44/19/48/521441948.db2.gz IMVLDLFSWDVFOW-AWEZNQCLSA-N 1 0 355.394 2.843 20 5 FFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]CC1(N2CCOCC2)CC1 ZINC000602635072 521449514 /nfs/dbraw/zinc/44/95/14/521449514.db2.gz WUWALDMZXUTQLT-UHFFFAOYSA-N 1 0 359.348 2.568 20 5 FFBDRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000594199245 521465365 /nfs/dbraw/zinc/46/53/65/521465365.db2.gz IHWVGXQXVXBBLG-RDJZCZTQSA-N 1 0 358.442 2.916 20 5 FFBDRO O=C1C[C@H](C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CN1C1CC1 ZINC000602714533 521491942 /nfs/dbraw/zinc/49/19/42/521491942.db2.gz ZIITZKBJTLDZCH-MRVPVSSYSA-N 1 0 374.260 2.519 20 5 FFBDRO CCCN(C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N)[C@H]1CC[N@H+](C)C1 ZINC000597090533 521495904 /nfs/dbraw/zinc/49/59/04/521495904.db2.gz NCSWIQWHMLKAKS-NSHDSACASA-N 1 0 355.826 2.778 20 5 FFBDRO O=C(Nc1ccc([N+](=O)[O-])c2ccncc12)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000599831195 521499375 /nfs/dbraw/zinc/49/93/75/521499375.db2.gz PQNDBQBVFYTTCI-STQMWFEESA-N 1 0 355.398 2.891 20 5 FFBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597093425 521499763 /nfs/dbraw/zinc/49/97/63/521499763.db2.gz ULQWWNAZOBAGDX-NSHDSACASA-N 1 0 355.826 2.826 20 5 FFBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597095140 521501403 /nfs/dbraw/zinc/50/14/03/521501403.db2.gz YQHAKOICCOSQIW-JTQLQIEISA-N 1 0 355.826 2.826 20 5 FFBDRO CCOC(=O)C1CCC([NH2+]Cc2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000602751585 521514738 /nfs/dbraw/zinc/51/47/38/521514738.db2.gz ITEGBYZIFRAJDG-UHFFFAOYSA-N 1 0 366.414 2.824 20 5 FFBDRO O=C1[C@H]([NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CCN1C1CCC1 ZINC000602784307 521531364 /nfs/dbraw/zinc/53/13/64/521531364.db2.gz MQGDDTMUIJWFAW-GOSISDBHSA-N 1 0 359.426 2.591 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000602786051 521531449 /nfs/dbraw/zinc/53/14/49/521531449.db2.gz VFQKAHVFULNEDO-UHFFFAOYSA-N 1 0 352.398 2.765 20 5 FFBDRO CC[C@](C)(COc1ncccc1Cl)[NH2+]Cc1cn(C)nc1[N+](=O)[O-] ZINC000602797615 521538865 /nfs/dbraw/zinc/53/88/65/521538865.db2.gz NDBVBTKPQSDXTN-OAHLLOKOSA-N 1 0 353.810 2.714 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H]1c2ccccc2CC12CCOCC2 ZINC000602836733 521562871 /nfs/dbraw/zinc/56/28/71/521562871.db2.gz HGTPUKSYRQXILC-GOSISDBHSA-N 1 0 356.426 2.784 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CCN1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 ZINC000602847046 521567976 /nfs/dbraw/zinc/56/79/76/521567976.db2.gz RBPSRNNHIJLXKI-GDBMZVCRSA-N 1 0 350.806 2.561 20 5 FFBDRO O=C1CC[C@@H]2C[N@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)CC[C@H]2N1 ZINC000597204735 521573510 /nfs/dbraw/zinc/57/35/10/521573510.db2.gz FTIYXYURHZAXIG-CZUORRHYSA-N 1 0 355.394 2.955 20 5 FFBDRO CN1CCC[N@H+](CCCNc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000619586473 521785129 /nfs/dbraw/zinc/78/51/29/521785129.db2.gz RUNBOELFRDRHEU-UHFFFAOYSA-N 1 0 371.279 2.797 20 5 FFBDRO O=[N+]([O-])c1ccc(NCC[N@@H+]2CCCOCC2)nc1-c1ccc(F)cc1 ZINC000485401281 561318320 /nfs/dbraw/zinc/31/83/20/561318320.db2.gz DKNSHOMGYZKPQJ-UHFFFAOYSA-N 1 0 360.389 2.930 20 5 FFBDRO C[C@H](CNc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1)N1CC[NH+](C)CC1 ZINC000485416563 561318672 /nfs/dbraw/zinc/31/86/72/561318672.db2.gz KWRFAKPGUCXGGM-CQSZACIVSA-N 1 0 373.432 2.844 20 5 FFBDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC000736264522 598367478 /nfs/dbraw/zinc/36/74/78/598367478.db2.gz FKZFJILZJJUTLS-GFCCVEGCSA-N 1 0 359.434 2.697 20 5 FFBDRO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820419588 599375327 /nfs/dbraw/zinc/37/53/27/599375327.db2.gz IJZXCSYMZPIITF-LBPRGKRZSA-N 1 0 354.370 2.505 20 5 FFBDRO CC[NH+](CC)[C@H](CNc1ccc([N+](=O)[O-])c(-c2nn[nH]n2)c1)CC(C)C ZINC000825406015 607450138 /nfs/dbraw/zinc/45/01/38/607450138.db2.gz GXJPWOJHISCNPE-AWEZNQCLSA-N 1 0 361.450 2.943 20 5 FFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC000820254623 607000135 /nfs/dbraw/zinc/00/01/35/607000135.db2.gz SEJCZEAXRYLUGR-ZDUSSCGKSA-N 1 0 352.398 2.886 20 5 FFBDRO CC[C@@H]([NH2+]CCOc1ccc(-c2nn[nH]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000825142949 608282545 /nfs/dbraw/zinc/28/25/45/608282545.db2.gz UJLHMKUEECLMLE-QGZVFWFLSA-N 1 0 368.397 2.895 20 5 FFBDRO C[C@@H](Nc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824648957 609313887 /nfs/dbraw/zinc/31/38/87/609313887.db2.gz JZBURIHZBFYHHJ-OCCSQVGLSA-N 1 0 371.445 2.840 20 5 FFBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824607499 609333746 /nfs/dbraw/zinc/33/37/46/609333746.db2.gz ZFWAAMUZVQFDPJ-LLVKDONJSA-N 1 0 356.361 2.807 20 5 FFBDRO [NH3+]C1([C@H]2CN(C(F)(F)c3cc([N+](=O)[O-])cnc3Cl)C[C@@H]2CF)CC1 ZINC001164630951 719118121 /nfs/dbraw/zinc/11/81/21/719118121.db2.gz XWLFQRMLYXEGGB-KWQFWETISA-N 1 0 364.755 2.701 20 5 FFBDRO O=[N+]([O-])c1c(Cl)ccnc1N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164721712 720334570 /nfs/dbraw/zinc/33/45/70/720334570.db2.gz DBOXSGZSFROOPK-GJZGRUSLSA-N 1 0 359.817 2.891 20 5 FFBDRO O=[N+]([O-])c1c[nH]c2ccc(N3CC[C@@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)nc21 ZINC001164724696 720404342 /nfs/dbraw/zinc/40/43/42/720404342.db2.gz KOCZLXGWUSWNIN-HZPDHXFCSA-N 1 0 364.409 2.719 20 5 FFBDRO Cc1c(C(=O)N(C)CC[C@H]([NH3+])C(C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000162029177 728938356 /nfs/dbraw/zinc/93/83/56/728938356.db2.gz YBJMSHVVDBDVAB-ZDUSSCGKSA-N 1 0 352.391 2.565 20 5 FFBDRO CCOC(=O)CC[C@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000162041572 728938390 /nfs/dbraw/zinc/93/83/90/728938390.db2.gz HPTORXQLSDURJJ-PBHICJAKSA-N 1 0 350.415 2.684 20 5 FFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCc3ncc(Br)n3C2)c(F)c1 ZINC000898722862 735399764 /nfs/dbraw/zinc/39/97/64/735399764.db2.gz ADXJLQDQHOCARA-JTQLQIEISA-N 1 0 369.194 2.798 20 5 FFBDRO C[NH+](C)[C@@H](CNC(=O)c1ccc(N)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000746637798 735500515 /nfs/dbraw/zinc/50/05/15/735500515.db2.gz SQUXSYLNMYRZNT-INIZCTEOSA-N 1 0 362.817 2.863 20 5 FFBDRO CC[C@](C)(O)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000123511227 728659560 /nfs/dbraw/zinc/65/95/60/728659560.db2.gz UOLMMGMHIWCRMI-HNNXBMFYSA-N 1 0 361.364 2.897 20 5 FFBDRO C[C@@H](NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000125415927 728683266 /nfs/dbraw/zinc/68/32/66/728683266.db2.gz VUDQZYBBDDYNEE-SNVBAGLBSA-N 1 0 363.867 2.503 20 5 FFBDRO CC(C)C[C@H]1COCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000128646422 728709255 /nfs/dbraw/zinc/70/92/55/728709255.db2.gz LRXUISGRCGMSAP-AWEZNQCLSA-N 1 0 353.394 2.809 20 5 FFBDRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000130214177 728715915 /nfs/dbraw/zinc/71/59/15/728715915.db2.gz GAZQGQJZHNTSRE-ZDUSSCGKSA-N 1 0 357.332 2.828 20 5 FFBDRO C[NH+](C)CCN(Cc1ccccn1)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000139570315 728741163 /nfs/dbraw/zinc/74/11/63/728741163.db2.gz BOLDPUHBJBLHNP-UHFFFAOYSA-N 1 0 362.817 2.847 20 5 FFBDRO C[N@@H+]1CCCC[C@H]1CN1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000172179716 729020862 /nfs/dbraw/zinc/02/08/62/729020862.db2.gz SJKDWRQKKFTWCZ-KRWDZBQOSA-N 1 0 366.893 2.850 20 5 FFBDRO C[N@@H+]1CCCC[C@@H]1CN1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000174853021 729081639 /nfs/dbraw/zinc/08/16/39/729081639.db2.gz FZLZQYAIMGTUDS-QGZVFWFLSA-N 1 0 366.893 2.850 20 5 FFBDRO CCOC(=O)CC[C@@H]1CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000246607884 729588327 /nfs/dbraw/zinc/58/83/27/729588327.db2.gz HPTORXQLSDURJJ-WMLDXEAASA-N 1 0 350.415 2.684 20 5 FFBDRO C[C@@H](CC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)NC(=O)OC(C)(C)C ZINC000857242165 730387044 /nfs/dbraw/zinc/38/70/44/730387044.db2.gz TXEDQERERRECIJ-SWLSCSKDSA-N 1 0 353.419 2.521 20 5 FFBDRO CCC(CC)[NH2+]CCNc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000858609664 730429874 /nfs/dbraw/zinc/42/98/74/730429874.db2.gz WRBBEFZCFRAVOB-UHFFFAOYSA-N 1 0 365.402 2.781 20 5 FFBDRO COCC[N@@H+]1CCC[C@H]1COC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000861032254 730568872 /nfs/dbraw/zinc/56/88/72/730568872.db2.gz MGAXCTMSBJTUNH-ZDUSSCGKSA-N 1 0 354.428 2.584 20 5 FFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)OC[C@@]1(C)C[C@H](OC)C[N@@H+]1C ZINC000861350680 730602990 /nfs/dbraw/zinc/60/29/90/730602990.db2.gz QNRDTFWQIFAFLU-SUMWQHHRSA-N 1 0 368.455 2.973 20 5 FFBDRO CC[N@@H+]1CCC[C@H](NC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000865183683 730922100 /nfs/dbraw/zinc/92/21/00/730922100.db2.gz KUDRAHHGJMQAQD-LBPRGKRZSA-N 1 0 370.247 2.500 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+]CC[C@H]2CCCS2)cc1[N+](=O)[O-] ZINC000865724650 730990653 /nfs/dbraw/zinc/99/06/53/730990653.db2.gz BGIPWZZNWLPYSI-CYBMUJFWSA-N 1 0 354.428 2.522 20 5 FFBDRO CC(C)[NH+]1CCC(CCNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000867652968 731210032 /nfs/dbraw/zinc/21/00/32/731210032.db2.gz OYFQKGBPRCXJFE-UHFFFAOYSA-N 1 0 369.487 2.525 20 5 FFBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NCCC[NH+]1CCC(O)CC1 ZINC000872026537 731721707 /nfs/dbraw/zinc/72/17/07/731721707.db2.gz FULAEXALPQERHG-CYBMUJFWSA-N 1 0 353.488 2.814 20 5 FFBDRO CC1(C)CC[NH2+]CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000872296104 731750066 /nfs/dbraw/zinc/75/00/66/731750066.db2.gz OKYVDVUXDLPTPJ-UHFFFAOYSA-N 1 0 370.247 2.500 20 5 FFBDRO [NH3+]C[C@@H]1CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC[C@@H]1C(F)(F)F ZINC000877018235 732313047 /nfs/dbraw/zinc/31/30/47/732313047.db2.gz UCYCADUQRDWYAI-KCJUWKMLSA-N 1 0 365.739 2.848 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000877245681 732336562 /nfs/dbraw/zinc/33/65/62/732336562.db2.gz LITWZHQUBCHPNA-MHDGFBEUSA-N 1 0 367.833 2.662 20 5 FFBDRO O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877282591 732340349 /nfs/dbraw/zinc/34/03/49/732340349.db2.gz RVUHWQOURBOLMU-DZGCQCFKSA-N 1 0 358.423 2.685 20 5 FFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CCC(CO)(CO)CC2)s1 ZINC000877797396 732434144 /nfs/dbraw/zinc/43/41/44/732434144.db2.gz GLKNIPGYYVNBDD-UHFFFAOYSA-N 1 0 362.451 2.890 20 5 FFBDRO COc1cc(C[N@@H+]2CC[C@@H](C(C)(C)O)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000877834966 732444345 /nfs/dbraw/zinc/44/43/45/732444345.db2.gz CDHSIQWABNQIKT-LLVKDONJSA-N 1 0 360.357 2.798 20 5 FFBDRO COC[C@H]1CC[N@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC000878123033 732486201 /nfs/dbraw/zinc/48/62/01/732486201.db2.gz OTBSALJHUJFFQO-JTQLQIEISA-N 1 0 352.778 2.767 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@](O)(c2ccc(Cl)cc2)C1 ZINC000878802346 732596473 /nfs/dbraw/zinc/59/64/73/732596473.db2.gz FKSFHYGJWBIKOA-KRWDZBQOSA-N 1 0 364.833 2.737 20 5 FFBDRO CC[N@H+]1[C@H](C)CN([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C[C@@H]1C ZINC000878836095 732602636 /nfs/dbraw/zinc/60/26/36/732602636.db2.gz HUCWATGRXBZBDR-FRRDWIJNSA-N 1 0 368.865 2.990 20 5 FFBDRO C[N@@H+]1CCN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1C(C)(C)C ZINC000878841804 732603440 /nfs/dbraw/zinc/60/34/40/732603440.db2.gz ZTWAXPJSKFGJQB-OAHLLOKOSA-N 1 0 368.865 2.849 20 5 FFBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@H]3CSC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000879560976 732723347 /nfs/dbraw/zinc/72/33/47/732723347.db2.gz JSVSCEVMOKQDBT-QWHCGFSZSA-N 1 0 365.455 2.617 20 5 FFBDRO O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CCCN(c2cc[nH+]cc2)CC1 ZINC000880382730 732900179 /nfs/dbraw/zinc/90/01/79/732900179.db2.gz KJUMRZRDVVLQNX-UHFFFAOYSA-N 1 0 360.801 2.996 20 5 FFBDRO CO[C@@H]1COCC[C@H]1[N@H+](C)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000880437537 732908086 /nfs/dbraw/zinc/90/80/86/732908086.db2.gz MMQLHCIJCCPMNS-TZMCWYRMSA-N 1 0 359.220 2.593 20 5 FFBDRO CC[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000880467776 732911551 /nfs/dbraw/zinc/91/15/51/732911551.db2.gz JPWFULMDBJUEDV-AAEUAGOBSA-N 1 0 355.822 2.982 20 5 FFBDRO C[C@@H]1CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCN1c1cc[nH+]cc1 ZINC000881638698 733077808 /nfs/dbraw/zinc/07/78/08/733077808.db2.gz WPSCZVKHOXIELW-GFCCVEGCSA-N 1 0 360.801 2.994 20 5 FFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H]1CCN1C1CCOCC1 ZINC000927103448 738690944 /nfs/dbraw/zinc/69/09/44/738690944.db2.gz QRZAVOXUSHNYED-SUMWQHHRSA-N 1 0 351.422 2.508 20 5 FFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1nc2c(s1)COCC2 ZINC000927114666 738692224 /nfs/dbraw/zinc/69/22/24/738692224.db2.gz GMOIAADFGYVKKO-SNVBAGLBSA-N 1 0 351.403 2.984 20 5 FFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1C[C@@H](O)C12CCOCC2 ZINC000927155316 738697704 /nfs/dbraw/zinc/69/77/04/738697704.db2.gz JWNNUFKTRLGQOD-XOKHGSTOSA-N 1 0 366.483 2.985 20 5 FFBDRO CN(CCCC[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000882986042 733318537 /nfs/dbraw/zinc/31/85/37/733318537.db2.gz BXHXIHRPQHONRN-UHFFFAOYSA-N 1 0 369.487 2.701 20 5 FFBDRO CC(=O)NC1CCC([NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000883294602 733361693 /nfs/dbraw/zinc/36/16/93/733361693.db2.gz DNYHZIDGGQWOLV-UHFFFAOYSA-N 1 0 370.247 2.894 20 5 FFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H](O)C(F)(F)C(F)(F)F ZINC000883362670 733373764 /nfs/dbraw/zinc/37/37/64/733373764.db2.gz KWHSWHLNUHCFPV-CPCISQLKSA-N 1 0 360.254 2.813 20 5 FFBDRO C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886200343 733759151 /nfs/dbraw/zinc/75/91/51/733759151.db2.gz IDJMJDIVDSTCLS-JSGCOSHPSA-N 1 0 350.419 2.725 20 5 FFBDRO Cc1sc(-c2cccc([N+](=O)[O-])c2)nc1-c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000887407838 733924720 /nfs/dbraw/zinc/92/47/20/733924720.db2.gz UJJSMWOCVHAOBM-CYBMUJFWSA-N 1 0 356.411 2.820 20 5 FFBDRO O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000927645663 738764836 /nfs/dbraw/zinc/76/48/36/738764836.db2.gz PBQMBTAPKYUONC-ZDUSSCGKSA-N 1 0 368.821 2.623 20 5 FFBDRO O=[N+]([O-])c1ccccc1-c1nc(-c2cn([C@H]3CCC[NH2+]C3)nn2)cs1 ZINC000887486689 733935756 /nfs/dbraw/zinc/93/57/56/733935756.db2.gz XEGRQFMYLBKGOI-NSHDSACASA-N 1 0 356.411 2.901 20 5 FFBDRO C[NH+]1CCC2(CCN2C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000889224292 734154023 /nfs/dbraw/zinc/15/40/23/734154023.db2.gz CQRWIONSCCUFDH-UHFFFAOYSA-N 1 0 368.231 2.668 20 5 FFBDRO Cc1ccc([C@H](C)NC(=O)NC[C@@H]2C[NH2+]CCC2(F)F)cc1[N+](=O)[O-] ZINC000891650617 734456662 /nfs/dbraw/zinc/45/66/62/734456662.db2.gz TXIZIAHTWAKFAI-AAEUAGOBSA-N 1 0 356.373 2.508 20 5 FFBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)c1ccc(F)cc1 ZINC000783599679 738818316 /nfs/dbraw/zinc/81/83/16/738818316.db2.gz BZKFZWMOKYNHEZ-UHFFFAOYSA-N 1 0 351.765 2.907 20 5 FFBDRO COc1c(O)ccc(CNC[C@@H]2CCC[N@H+](CC(C)C)C2)c1[N+](=O)[O-] ZINC000893200029 734667075 /nfs/dbraw/zinc/66/70/75/734667075.db2.gz LISATHOMXTZGEM-AWEZNQCLSA-N 1 0 351.447 2.767 20 5 FFBDRO C[C@](CO)([NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000731844006 734700063 /nfs/dbraw/zinc/70/00/63/734700063.db2.gz FXYRBGBWRUTIEH-QGZVFWFLSA-N 1 0 363.801 2.684 20 5 FFBDRO CC(C)[N@H+](C)CCCNc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000731970319 734710618 /nfs/dbraw/zinc/71/06/18/734710618.db2.gz XORWQJUPOATTMF-UHFFFAOYSA-N 1 0 365.402 2.733 20 5 FFBDRO COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000735491017 734948071 /nfs/dbraw/zinc/94/80/71/734948071.db2.gz ZZJIATBZBNXKPU-QWHCGFSZSA-N 1 0 369.849 2.611 20 5 FFBDRO COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000735491016 734948088 /nfs/dbraw/zinc/94/80/88/734948088.db2.gz ZZJIATBZBNXKPU-OLZOCXBDSA-N 1 0 369.849 2.611 20 5 FFBDRO C[C@@H](C[C@@H]1CCCC(=O)N1)[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000895610437 735031651 /nfs/dbraw/zinc/03/16/51/735031651.db2.gz BRZJSVRELDLNDB-GWCFXTLKSA-N 1 0 370.247 2.894 20 5 FFBDRO O=[N+]([O-])c1cnc(NC[C@@H]2CC[N@@H+]2C2CCOCC2)c(C(F)(F)F)c1 ZINC000896521037 735172473 /nfs/dbraw/zinc/17/24/73/735172473.db2.gz CAKQQGUZQWCOQE-NSHDSACASA-N 1 0 360.336 2.674 20 5 FFBDRO COC(=O)c1cnc(CC[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])s1 ZINC000896932931 735188644 /nfs/dbraw/zinc/18/86/44/735188644.db2.gz VWXYTPPPLQFNIJ-GFCCVEGCSA-N 1 0 363.439 2.991 20 5 FFBDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=S)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000747657670 735579255 /nfs/dbraw/zinc/57/92/55/735579255.db2.gz CBIIORWHZAJABF-MRXNPFEDSA-N 1 0 366.487 2.724 20 5 FFBDRO C[NH+](C)[C@@]1(CNC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCSC1 ZINC000748646725 735661407 /nfs/dbraw/zinc/66/14/07/735661407.db2.gz LVMKMMMHNPNCGP-CQSZACIVSA-N 1 0 358.851 2.807 20 5 FFBDRO CCOc1cc([N+](=O)[O-])c(C(=O)OCC[NH+]2CCCCC2)cc1OC ZINC000750547771 735799898 /nfs/dbraw/zinc/79/98/98/735799898.db2.gz HOMQPQSVUJFWEH-UHFFFAOYSA-N 1 0 352.387 2.645 20 5 FFBDRO COc1cc([C@@H](C)[NH2+][C@@H]2CCOC3(CCOCC3)C2)cc([N+](=O)[O-])c1 ZINC000903125706 736037056 /nfs/dbraw/zinc/03/70/56/736037056.db2.gz NVRDKVYGKWCROD-UKRRQHHQSA-N 1 0 350.415 2.982 20 5 FFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1cn(C)nc1Br ZINC000903188616 736051491 /nfs/dbraw/zinc/05/14/91/736051491.db2.gz TVEGKOZLAPHOAO-SECBINFHSA-N 1 0 371.210 2.951 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F ZINC000905058725 736290523 /nfs/dbraw/zinc/29/05/23/736290523.db2.gz IYBOIUJPFSTSHA-LLVKDONJSA-N 1 0 358.263 2.642 20 5 FFBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H](O)CC2(O)CCCC2)cc(C(F)(F)F)c1 ZINC000905238347 736316264 /nfs/dbraw/zinc/31/62/64/736316264.db2.gz PLTPDJZMDQKPJR-CQSZACIVSA-N 1 0 362.348 2.759 20 5 FFBDRO CC[N@@H+]1CCC[C@@H]1CNC(=S)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000756790247 736361470 /nfs/dbraw/zinc/36/14/70/736361470.db2.gz PXYXJALCEZQAFC-CYBMUJFWSA-N 1 0 356.879 2.697 20 5 FFBDRO CC1(C)C[C@@H](C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C(C)(C)O1 ZINC000905619119 736369955 /nfs/dbraw/zinc/36/99/55/736369955.db2.gz KOOULZYDMWFBOL-KBPBESRZSA-N 1 0 352.431 2.518 20 5 FFBDRO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)NC1CC[NH+](C2CC2)CC1 ZINC000905634803 736372815 /nfs/dbraw/zinc/37/28/15/736372815.db2.gz VQOPACQBCNARBM-UHFFFAOYSA-N 1 0 351.834 2.924 20 5 FFBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N1CC[NH+](C2CCC2)CC1 ZINC000757255310 736398730 /nfs/dbraw/zinc/39/87/30/736398730.db2.gz ICEJDUGYUNNSHY-UHFFFAOYSA-N 1 0 352.822 2.628 20 5 FFBDRO C[C@H](Cc1cccc(F)c1)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000757676557 736418860 /nfs/dbraw/zinc/41/88/60/736418860.db2.gz URDZDYJBOOPZKH-CYBMUJFWSA-N 1 0 366.414 2.728 20 5 FFBDRO C[NH+](C)CCn1ccc(NC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000906464933 736506332 /nfs/dbraw/zinc/50/63/32/736506332.db2.gz LUXXOUUQLWOKQG-UHFFFAOYSA-N 1 0 365.821 2.578 20 5 FFBDRO C[NH+](C)CCOc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)ccn1 ZINC000763256977 736919812 /nfs/dbraw/zinc/91/98/12/736919812.db2.gz JTQZCNOBUYPBOL-UHFFFAOYSA-N 1 0 364.789 2.836 20 5 FFBDRO CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C[C@@H]1[NH+]1CCCC1 ZINC000763283792 736922793 /nfs/dbraw/zinc/92/27/93/736922793.db2.gz RJCPVGVNBGVRAX-LSDHHAIUSA-N 1 0 369.874 2.900 20 5 FFBDRO CC(C)(C)Oc1cc(N2CC[NH+](CCCCO)CC2)ccc1[N+](=O)[O-] ZINC000764157049 736997997 /nfs/dbraw/zinc/99/79/97/736997997.db2.gz KSUVCTWDWASCFX-UHFFFAOYSA-N 1 0 351.447 2.667 20 5 FFBDRO COC1CC[NH+](C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000768713213 737451899 /nfs/dbraw/zinc/45/18/99/737451899.db2.gz VKZPPDYIVRDCEB-UHFFFAOYSA-N 1 0 369.849 2.867 20 5 FFBDRO CCOC(=O)[C@]1(C(C)C)CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000773917932 737945102 /nfs/dbraw/zinc/94/51/02/737945102.db2.gz AXWLQBFNNVEIHR-FUHWJXTLSA-N 1 0 350.415 2.539 20 5 FFBDRO COC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000775816268 738128457 /nfs/dbraw/zinc/12/84/57/738128457.db2.gz PFDBLRKNVNNASX-CHWSQXEVSA-N 1 0 351.403 2.560 20 5 FFBDRO CS(=O)(=O)C1CCC(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000922419050 738142271 /nfs/dbraw/zinc/14/22/71/738142271.db2.gz GOFHKWPNBXLIMF-GQCTYLIASA-N 1 0 352.456 2.801 20 5 FFBDRO CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](C[NH2+]Cc3csc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000922786887 738200563 /nfs/dbraw/zinc/20/05/63/738200563.db2.gz BCEIJFQAEGBPKL-XYYAHUGASA-N 1 0 353.444 2.859 20 5 FFBDRO O=[N+]([O-])c1ccccc1C[NH2+]CC1(n2cc(Br)cn2)CC1 ZINC000922804206 738202919 /nfs/dbraw/zinc/20/29/19/738202919.db2.gz VADHAJUEFDTAKA-UHFFFAOYSA-N 1 0 351.204 2.833 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000922876281 738213059 /nfs/dbraw/zinc/21/30/59/738213059.db2.gz MUTBZNXTHDEVHA-UHFFFAOYSA-N 1 0 367.833 2.621 20 5 FFBDRO C[C@@H](NC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12)c1ccccc1[N+](=O)[O-] ZINC000923982878 738352754 /nfs/dbraw/zinc/35/27/54/738352754.db2.gz IYJPYGBXHDGTAL-XPKDYRNWSA-N 1 0 364.471 2.535 20 5 FFBDRO C[C@H](CNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](C)C1 ZINC000778231250 738365417 /nfs/dbraw/zinc/36/54/17/738365417.db2.gz FKQDNZCHWLLUPM-QWHCGFSZSA-N 1 0 355.385 2.923 20 5 FFBDRO COCC[N@@H+](Cc1scnc1C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000785989776 739017307 /nfs/dbraw/zinc/01/73/07/739017307.db2.gz BMOZCTULWGEUSH-OAHLLOKOSA-N 1 0 351.428 2.542 20 5 FFBDRO C[NH+](C)C1(C)CCN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000931352564 739249802 /nfs/dbraw/zinc/24/98/02/739249802.db2.gz AIKRUPRJIZJYFQ-UHFFFAOYSA-N 1 0 354.838 2.603 20 5 FFBDRO CC(C)(C)OC[C@@H]1CCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000932170548 739398101 /nfs/dbraw/zinc/39/81/01/739398101.db2.gz GKKRTJNQOVZRDE-GJZGRUSLSA-N 1 0 352.431 2.614 20 5 FFBDRO CC[NH+](CC)[C@@H]1CCN(c2c(Cl)cc([N+](=O)[O-])cc2C(=O)OC)C1 ZINC000790270454 739430992 /nfs/dbraw/zinc/43/09/92/739430992.db2.gz AYLWAUHRWFUUBQ-LLVKDONJSA-N 1 0 355.822 2.955 20 5 FFBDRO C[NH+](C)C1(CNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CCCC1 ZINC000790539014 739467343 /nfs/dbraw/zinc/46/73/43/739467343.db2.gz MTIICOHGWIRURJ-UHFFFAOYSA-N 1 0 357.813 2.920 20 5 FFBDRO CC[NH+](CC)[C@H](C)CNC(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000791917458 739616479 /nfs/dbraw/zinc/61/64/79/739616479.db2.gz TWFKFSDGKOQKOE-SNVBAGLBSA-N 1 0 358.236 2.817 20 5 FFBDRO COc1ccc(NC(=O)CC[N@@H+]2CCCSC[C@H]2C)c([N+](=O)[O-])c1 ZINC000934299080 739762407 /nfs/dbraw/zinc/76/24/07/739762407.db2.gz CCPXVGZCTYMEPJ-GFCCVEGCSA-N 1 0 353.444 2.759 20 5 FFBDRO CCNC(=O)OC[C@@H]1CCCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000796165545 740110493 /nfs/dbraw/zinc/11/04/93/740110493.db2.gz VQWHUDLARDRJRP-HNNXBMFYSA-N 1 0 351.403 2.574 20 5 FFBDRO C[NH+](C)[C@H](CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N)C1CCCCC1 ZINC000801817622 740654143 /nfs/dbraw/zinc/65/41/43/740654143.db2.gz LVTQXQJYPIWQOP-MRXNPFEDSA-N 1 0 352.410 2.556 20 5 FFBDRO CCC[N@H+](C)CC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000803546392 740809940 /nfs/dbraw/zinc/80/99/40/740809940.db2.gz FZOFLNXRXNTTPK-UHFFFAOYSA-N 1 0 370.247 2.584 20 5 FFBDRO O=C(O[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000810844739 741455256 /nfs/dbraw/zinc/45/52/56/741455256.db2.gz QOVDCCJGOABDMI-VXGBXAGGSA-N 1 0 356.325 2.980 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])c(N2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1Cl ZINC000814908936 741874203 /nfs/dbraw/zinc/87/42/03/741874203.db2.gz HQJPWHOJSCOHQO-KRWDZBQOSA-N 1 0 367.833 2.957 20 5 FFBDRO Cc1c(CO)cc([N+](=O)[O-])c(NC2CCC([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000817125885 742090144 /nfs/dbraw/zinc/09/01/44/742090144.db2.gz XPZZPTMITSYRNY-UHFFFAOYSA-N 1 0 352.391 2.588 20 5 FFBDRO Cc1cccc(Cl)c1C[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001005381056 742253260 /nfs/dbraw/zinc/25/32/60/742253260.db2.gz IDKFTAGSNOOHAD-RHSMWYFYSA-N 1 0 365.861 2.736 20 5 FFBDRO C[N@@H+](Cc1ccccc1)C[C@H](O)CNCc1cc([N+](=O)[O-])ccc1Cl ZINC000819151006 742344165 /nfs/dbraw/zinc/34/41/65/742344165.db2.gz VHEOTJGVJULXLM-QGZVFWFLSA-N 1 0 363.845 2.831 20 5 FFBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)C1 ZINC000822152975 742702771 /nfs/dbraw/zinc/70/27/71/742702771.db2.gz VZSGLPZKJJPSIK-SECBINFHSA-N 1 0 358.801 2.524 20 5 FFBDRO O=C(N[C@H]1CC[C@H]([NH2+]Cc2ccc(Cl)cc2F)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001034643235 742927631 /nfs/dbraw/zinc/92/76/31/742927631.db2.gz KXBVVRDUSWJTKG-IXYNUQLISA-N 1 0 369.824 2.661 20 5 FFBDRO Cc1cc(Cl)c(C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)cc1[N+](=O)[O-] ZINC000823724454 742969791 /nfs/dbraw/zinc/96/97/91/742969791.db2.gz ZEVFBPAERCXZMX-CYBMUJFWSA-N 1 0 369.849 2.643 20 5 FFBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]C[C@@H]1CCCCN1CCO ZINC000824583200 743111333 /nfs/dbraw/zinc/11/13/33/743111333.db2.gz JHYDRLALDSZZLS-ZDUSSCGKSA-N 1 0 362.257 2.838 20 5 FFBDRO C[N@@H+]1CC[C@H]2CN(C(=O)c3c(Br)cccc3[N+](=O)[O-])CC[C@@H]21 ZINC000827216706 743535219 /nfs/dbraw/zinc/53/52/19/743535219.db2.gz CNUKZOBDCKAFTH-JQWIXIFHSA-N 1 0 368.231 2.524 20 5 FFBDRO CO[C@@H]1[C@@H](C)[C@@H]([NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1(C)C ZINC000831393299 745523930 /nfs/dbraw/zinc/52/39/30/745523930.db2.gz MSAQUCJXZLNRPQ-AMKSKSKJSA-N 1 0 353.394 2.712 20 5 FFBDRO C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CCN(CC(F)(F)F)CC1 ZINC000832621640 745727927 /nfs/dbraw/zinc/72/79/27/745727927.db2.gz YXGCROWQGZNIHI-OAHLLOKOSA-N 1 0 361.364 2.587 20 5 FFBDRO CC(C)(C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@@H]1COCC12OCCO2 ZINC000839171559 746792598 /nfs/dbraw/zinc/79/25/98/746792598.db2.gz BQTLRMBGMHOLDU-HNNXBMFYSA-N 1 0 370.833 2.754 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000839502879 746841956 /nfs/dbraw/zinc/84/19/56/746841956.db2.gz IEDPIEAYSRRDAM-GXTWGEPZSA-N 1 0 368.865 2.991 20 5 FFBDRO C[C@]1([NH2+]CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CCO[C@H]1C1CC1 ZINC000839550073 746853117 /nfs/dbraw/zinc/85/31/17/746853117.db2.gz GVVOKNFWJFUIRE-HOTGVXAUSA-N 1 0 353.806 2.734 20 5 FFBDRO CO[C@@](C)([C@H](C)[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C1CC1 ZINC000839641067 746878946 /nfs/dbraw/zinc/87/89/46/746878946.db2.gz TXZFKFSGTGXKKA-GTNSWQLSSA-N 1 0 353.394 2.856 20 5 FFBDRO C[NH+]1CCC(NC(=S)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000840801571 747187253 /nfs/dbraw/zinc/18/72/53/747187253.db2.gz JCJQAAXQHSLYGO-OAHLLOKOSA-N 1 0 362.499 2.743 20 5 FFBDRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841161145 747284496 /nfs/dbraw/zinc/28/44/96/747284496.db2.gz KGBAXOOILFDEHW-SKDRFNHKSA-N 1 0 371.235 2.996 20 5 FFBDRO [NH3+][C@H]1CCC[C@@H](NC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000841162242 747285043 /nfs/dbraw/zinc/28/50/43/747285043.db2.gz RKRBPUGGNVWKHQ-DTWKUNHWSA-N 1 0 357.208 2.749 20 5 FFBDRO C[C@@H]1CCCN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)[C@H]1C[NH3+] ZINC000841162627 747285426 /nfs/dbraw/zinc/28/54/26/747285426.db2.gz YFNWQKDHQVMYMD-RNCFNFMXSA-N 1 0 371.235 2.948 20 5 FFBDRO O=C(CN1CCCC[C@@H]1[C@H]1CCC[NH2+]1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000842473647 747612395 /nfs/dbraw/zinc/61/23/95/747612395.db2.gz SQWBZSHURKDTPJ-HUUCEWRRSA-N 1 0 366.849 2.793 20 5 FFBDRO C[C@H](N[C@@H]1[C@H](C)CC[NH2+][C@H]1C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000842476532 747613277 /nfs/dbraw/zinc/61/32/77/747613277.db2.gz QPQKLMLONXFBSD-DZHLUBAWSA-N 1 0 354.838 2.551 20 5 FFBDRO O=C(CN1CC[NH2+]CC12CCCCC2)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000843360911 747817800 /nfs/dbraw/zinc/81/78/00/747817800.db2.gz XRKQOTLVCQSEMT-UHFFFAOYSA-N 1 0 366.849 2.795 20 5 FFBDRO CCC[C@H]1C[NH2+]CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000843454487 747839378 /nfs/dbraw/zinc/83/93/78/747839378.db2.gz RHYDXBUVDQEKAU-JTQLQIEISA-N 1 0 374.210 2.711 20 5 FFBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000843484011 747843331 /nfs/dbraw/zinc/84/33/31/747843331.db2.gz GWMCFPOFIXYRGP-VXGBXAGGSA-N 1 0 369.824 2.778 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CCC[C@H]1CC1(Cl)Cl ZINC000844276289 747995638 /nfs/dbraw/zinc/99/56/38/747995638.db2.gz DXQZZLSVBHQAIY-RYUDHWBXSA-N 1 0 363.241 2.898 20 5 FFBDRO C[C@@H]1C[N@H+](C)[C@H](C)[C@@H](C)N1C(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000844645103 748063388 /nfs/dbraw/zinc/06/33/88/748063388.db2.gz PNTYUVLNUCUSJK-GMTAPVOTSA-N 1 0 370.247 2.910 20 5 FFBDRO CCOc1cc([N+](=O)[O-])c(C(=O)O[C@@H](C)C[NH+]2CCCC2)cc1OC ZINC000845669790 748301769 /nfs/dbraw/zinc/30/17/69/748301769.db2.gz KWRTVZZBVMZKCP-LBPRGKRZSA-N 1 0 352.387 2.643 20 5 FFBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CC[S@@](=O)CC(F)(F)F)C1CC1 ZINC000850493256 749374014 /nfs/dbraw/zinc/37/40/14/749374014.db2.gz VBLBZYICDDKBLX-RKNYENMMSA-N 1 0 364.389 2.817 20 5 FFBDRO C[C@@H]([NH2+]CC1(S(C)(=O)=O)CCCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850531697 749383031 /nfs/dbraw/zinc/38/30/31/749383031.db2.gz MPMHUTZJQYVXLX-GFCCVEGCSA-N 1 0 355.460 2.575 20 5 FFBDRO O=[N+]([O-])c1cccc(C[N@H+](CCn2cnc(Br)n2)C2CC2)c1 ZINC000851816291 749686193 /nfs/dbraw/zinc/68/61/93/749686193.db2.gz GDLCZUAJDHRFOW-UHFFFAOYSA-N 1 0 366.219 2.613 20 5 FFBDRO C[C@@H](CO)[C@H]1CCCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000852424267 749856900 /nfs/dbraw/zinc/85/69/00/749856900.db2.gz ALMMOYBKNPETQS-BLLLJJGKSA-N 1 0 353.394 2.545 20 5 FFBDRO C[C@H]1COC2(CCC2)C[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000852445170 749860961 /nfs/dbraw/zinc/86/09/61/749860961.db2.gz WDXWYZOAWCBDGV-LBPRGKRZSA-N 1 0 351.378 2.706 20 5 FFBDRO CC(C)[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)[C@H](O)c1ccc(Cl)cc1 ZINC000852731293 749937036 /nfs/dbraw/zinc/93/70/36/749937036.db2.gz WOPSBTYBPOOEEL-HZPDHXFCSA-N 1 0 352.822 2.793 20 5 FFBDRO CC(C)[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)[C@@H](O)c1ccc(Cl)cc1 ZINC000852731651 749937146 /nfs/dbraw/zinc/93/71/46/749937146.db2.gz LJAVJKZLQYLNQS-CVEARBPZSA-N 1 0 352.822 2.793 20 5 FFBDRO C[N@@H+]1CCC[C@@H](N2CCN(c3ccc(C(F)F)cc3[N+](=O)[O-])CC2)C1 ZINC000853341740 750050691 /nfs/dbraw/zinc/05/06/91/750050691.db2.gz VLFAEEIFHKWDFW-CQSZACIVSA-N 1 0 354.401 2.749 20 5 FFBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000120098789 958860704 /nfs/dbraw/zinc/86/07/04/958860704.db2.gz SYRLSGNTKNCUSP-GUYCJALGSA-N 1 0 357.385 2.984 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N2CC3(CC[NH2+]CC3)c3ccccc32)c1 ZINC001167069002 959445007 /nfs/dbraw/zinc/44/50/07/959445007.db2.gz ICCPMPBDAAVEHO-UHFFFAOYSA-N 1 0 360.801 2.655 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])cnc1-n1c2ccc(F)cc2c2c1CC[NH2+]C2 ZINC001167085556 959831218 /nfs/dbraw/zinc/83/12/18/959831218.db2.gz QQBSAYHATNPQNO-UHFFFAOYSA-N 1 0 370.340 2.505 20 5 FFBDRO O=C(OCCn1cc([N+](=O)[O-])cn1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000748109924 960434363 /nfs/dbraw/zinc/43/43/63/960434363.db2.gz WHXYBPGMLKDNGQ-UHFFFAOYSA-N 1 0 358.398 2.634 20 5 FFBDRO Cc1nn(CN2CCC(C)([NH+]3CCCC3)CC2)c2ncc([N+](=O)[O-])cc12 ZINC000872643659 1013243919 /nfs/dbraw/zinc/24/39/19/1013243919.db2.gz AATVNGSXRXLLKZ-UHFFFAOYSA-N 1 0 358.446 2.556 20 5 FFBDRO CCOC(=O)c1c[nH]nc1[C@@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC001174964780 1013354399 /nfs/dbraw/zinc/35/43/99/1013354399.db2.gz HOYHTNMAXQORLR-CQSZACIVSA-N 1 0 358.398 2.527 20 5 FFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)C[C@@H](O)CN(C)C(=O)OC(C)(C)C ZINC001175390986 1013467885 /nfs/dbraw/zinc/46/78/85/1013467885.db2.gz UPWAULQUHBCLGL-ZIAGYGMSSA-N 1 0 367.446 2.815 20 5 FFBDRO Cn1c2ccccc2c(N2CCC[C@@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])c1=O ZINC000891889198 965337851 /nfs/dbraw/zinc/33/78/51/965337851.db2.gz JNEDNTCTYIUYGB-CQSZACIVSA-N 1 0 356.426 2.511 20 5 FFBDRO COc1c(O)ccc(CN(CC[NH+](C)C)Cc2ccc(C)o2)c1[N+](=O)[O-] ZINC000894457187 965382304 /nfs/dbraw/zinc/38/23/04/965382304.db2.gz VGTPAOZNETVKGX-UHFFFAOYSA-N 1 0 363.414 2.774 20 5 FFBDRO COc1cc(C)cc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1OC ZINC000894579481 965497984 /nfs/dbraw/zinc/49/79/84/965497984.db2.gz MMNSZHCMJIOFPF-UHFFFAOYSA-N 1 0 360.414 2.954 20 5 FFBDRO CN(CC[NH+]1CC2(C1)CCOCC2)c1c2cc(F)ccc2ncc1[N+](=O)[O-] ZINC000895034262 967174575 /nfs/dbraw/zinc/17/45/75/967174575.db2.gz BLJDYGLMMVYHTP-UHFFFAOYSA-N 1 0 374.416 2.831 20 5 FFBDRO C[C@H](Nc1ccc([N+](=O)[O-])c(-c2ccccc2)n1)[C@@H]1C[N@H+](C)CCN1C ZINC000895247766 968761950 /nfs/dbraw/zinc/76/19/50/968761950.db2.gz WFFKBKSARSTFMK-YOEHRIQHSA-N 1 0 355.442 2.703 20 5 FFBDRO Cc1ccc(CNC(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)cc1[N+](=O)[O-] ZINC000892536541 969405273 /nfs/dbraw/zinc/40/52/73/969405273.db2.gz HDSXHMVXFXFAQO-KRWDZBQOSA-N 1 0 360.458 2.823 20 5 FFBDRO C[C@H]1C[C@@H](Oc2cccc(I)c2[N+](=O)[O-])CC[NH2+]1 ZINC001218060468 969414652 /nfs/dbraw/zinc/41/46/52/969414652.db2.gz MQROZAMSZGDFMR-IUCAKERBSA-N 1 0 362.167 2.719 20 5 FFBDRO CCCN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)CCC[NH+]1CCCC1 ZINC001211646026 969986798 /nfs/dbraw/zinc/98/67/98/969986798.db2.gz HBLIITWYNFTFMA-UHFFFAOYSA-N 1 0 355.460 2.627 20 5 FFBDRO Cc1cc(C)c(OC(=O)[C@@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)c([N+](=O)[O-])c1 ZINC000875062454 1013960279 /nfs/dbraw/zinc/96/02/79/1013960279.db2.gz UPODVVIIRNWLCB-CVEARBPZSA-N 1 0 372.425 2.586 20 5 FFBDRO O=[N+]([O-])c1c(I)cccc1O[C@@H]1CC[C@@H]2C[NH2+]C[C@H]12 ZINC001218460590 970221469 /nfs/dbraw/zinc/22/14/69/970221469.db2.gz MZNDGPCMBWMTET-WCABBAIRSA-N 1 0 374.178 2.576 20 5 FFBDRO Cn1c(=O)c([N+](=O)[O-])c(N(CC[NH+](C)C)Cc2ccco2)c2ccccc21 ZINC000892910984 970368040 /nfs/dbraw/zinc/36/80/40/970368040.db2.gz HIZCCRLQOKWVRV-UHFFFAOYSA-N 1 0 370.409 2.608 20 5 FFBDRO COCc1ncc2c(n1)CC[N@@H+](C/C(C)=C/c1cccc([N+](=O)[O-])c1)C2 ZINC000895414266 970597780 /nfs/dbraw/zinc/59/77/80/970597780.db2.gz CCAKGYAOWWKKDW-RIYZIHGNSA-N 1 0 354.410 2.993 20 5 FFBDRO C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000313084850 972643589 /nfs/dbraw/zinc/64/35/89/972643589.db2.gz XHVWLXQZHIKJFD-GDBMZVCRSA-N 1 0 368.437 2.817 20 5 FFBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cc4ccccc4c([N+](=O)[O-])c3N)CC[C@@H]21 ZINC000897016386 973155253 /nfs/dbraw/zinc/15/52/53/973155253.db2.gz GRHSAGVYWSAMQL-YOEHRIQHSA-N 1 0 368.437 2.887 20 5 FFBDRO O=C([C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)N1CCCN(c2cc[nH+]cc2)CC1 ZINC000899174990 976993989 /nfs/dbraw/zinc/99/39/89/976993989.db2.gz OMAGNGHQIUUCSC-OALUTQOASA-N 1 0 366.421 2.832 20 5 FFBDRO COc1ccccc1[C@@H]1C[NH2+]CCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000261655410 977419624 /nfs/dbraw/zinc/41/96/24/977419624.db2.gz GNUKEBQFYSZULA-SFHVURJKSA-N 1 0 357.410 2.629 20 5 FFBDRO C[C@@H]1CN(c2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000893958851 977615834 /nfs/dbraw/zinc/61/58/34/977615834.db2.gz DYFVSINLNGYQMU-AWEZNQCLSA-N 1 0 370.453 2.757 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000876921653 1014422268 /nfs/dbraw/zinc/42/22/68/1014422268.db2.gz RPHKWNBWKCEJJV-NVXWUHKLSA-N 1 0 361.442 2.570 20 5 FFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CCc3ccn(-c4ccc(F)cc4)n3)C2)c1 ZINC000877067962 1014467433 /nfs/dbraw/zinc/46/74/33/1014467433.db2.gz KJJQBFWEGDCTMW-UHFFFAOYSA-N 1 0 370.388 2.652 20 5 FFBDRO C[NH+](C)CCOc1ccc(CCNc2ccc([N+](=O)[O-])c3nonc32)cc1 ZINC000729184371 978197684 /nfs/dbraw/zinc/19/76/84/978197684.db2.gz ZQOMFQXGJQXOOI-UHFFFAOYSA-N 1 0 371.397 2.726 20 5 FFBDRO CN(C)c1cc(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)c2ccccc2n1 ZINC000877066565 1014467831 /nfs/dbraw/zinc/46/78/31/1014467831.db2.gz ODZDONUHRKMCEA-UHFFFAOYSA-N 1 0 366.425 2.899 20 5 FFBDRO C[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[C@](C)(O)c1ccccc1 ZINC000877610241 1014645347 /nfs/dbraw/zinc/64/53/47/1014645347.db2.gz MIYBITYOZZHXMT-YWZLYKJASA-N 1 0 370.453 2.844 20 5 FFBDRO C[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[C@@](C)(O)c1ccccc1 ZINC000877610138 1014645433 /nfs/dbraw/zinc/64/54/33/1014645433.db2.gz MIYBITYOZZHXMT-FOIQADDNSA-N 1 0 370.453 2.844 20 5 FFBDRO CO[C@](C)(C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)COCc1ccccc1 ZINC000877625123 1014651442 /nfs/dbraw/zinc/65/14/42/1014651442.db2.gz VZUKJHAKVQGFJJ-FAFZWHIHSA-N 1 0 374.441 2.706 20 5 FFBDRO CC(C)N(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC(=O)OC(C)(C)C ZINC001168202033 981062784 /nfs/dbraw/zinc/06/27/84/981062784.db2.gz PUZGUIWMUBOZDI-UHFFFAOYSA-N 1 0 365.430 2.976 20 5 FFBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC000908308702 981412571 /nfs/dbraw/zinc/41/25/71/981412571.db2.gz ZSAOCZLJAFVXBO-ZDUSSCGKSA-N 1 0 365.430 2.606 20 5 FFBDRO Cc1ccc(NCCCNC(=O)C[C@H](C)[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000237427832 981578440 /nfs/dbraw/zinc/57/84/40/981578440.db2.gz GRSSTWFPZXIBJV-HOTGVXAUSA-N 1 0 362.474 2.847 20 5 FFBDRO Cn1cc(C[NH2+]CC2(C3(O)CCC3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000897531069 981605373 /nfs/dbraw/zinc/60/53/73/981605373.db2.gz XTIHHOYZDWGGHN-UHFFFAOYSA-N 1 0 356.426 2.780 20 5 FFBDRO CC[N@@H+]1CCCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)[C@H](C)C1 ZINC000910270148 981880282 /nfs/dbraw/zinc/88/02/82/981880282.db2.gz KXVPDQBLAKPZSF-CYBMUJFWSA-N 1 0 357.414 2.541 20 5 FFBDRO O=C([C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000912000197 983937002 /nfs/dbraw/zinc/93/70/02/983937002.db2.gz CSQLRRVQGVNGRN-ULQDDVLXSA-N 1 0 372.469 2.554 20 5 FFBDRO C[NH+]1C[C@]2(C)CN(C(=O)c3cc([N+](=O)[O-])ccc3N3CCCC3)C[C@@]2(C)C1 ZINC000913293809 984234368 /nfs/dbraw/zinc/23/43/68/984234368.db2.gz URGFOEYDECCHAJ-WOJBJXKFSA-N 1 0 372.469 2.609 20 5 FFBDRO C[NH+](C)C[C@H]1CN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c2ccccc2O1 ZINC000760820526 984531505 /nfs/dbraw/zinc/53/15/05/984531505.db2.gz FGKKVDAUPCRMFM-KQPPXVQYSA-N 1 0 367.405 2.964 20 5 FFBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]Cc1ccc(-n2cncn2)nc1)C1CC1 ZINC000764955984 984861851 /nfs/dbraw/zinc/86/18/51/984861851.db2.gz PVAWXEFLYMJIDZ-KRWDZBQOSA-N 1 0 364.409 2.681 20 5 FFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(C[NH2+]Cc2cccc3ccccc32)CC1 ZINC000997771527 985733647 /nfs/dbraw/zinc/73/36/47/985733647.db2.gz HWENBUVXYDNCFV-WOJBJXKFSA-N 1 0 367.449 2.833 20 5 FFBDRO C[C@@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(N2CCOC2=O)cc1 ZINC000765846248 986714326 /nfs/dbraw/zinc/71/43/26/986714326.db2.gz XGDJQNGQTVAJNW-FZKQIMNGSA-N 1 0 371.393 2.936 20 5 FFBDRO CCOC(=O)c1cc(O)c(Br)c(O[C@@H](C)C[N+](C)(C)C)c1 ZINC001234058835 986947540 /nfs/dbraw/zinc/94/75/40/986947540.db2.gz COWMVERWBFTDMP-JTQLQIEISA-O 1 0 361.256 2.805 20 5 FFBDRO Cc1c([N+](=O)[O-])cc(C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)cc1[N+](=O)[O-] ZINC000765943200 987206021 /nfs/dbraw/zinc/20/60/21/987206021.db2.gz HBOFQJAEICZXOR-CQSZACIVSA-N 1 0 362.386 2.558 20 5 FFBDRO CN(CCc1nccs1)C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC001127292981 987638863 /nfs/dbraw/zinc/63/88/63/987638863.db2.gz NKMNZXGNZARSSP-UHFFFAOYSA-N 1 0 357.395 2.552 20 5 FFBDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000915297943 988396237 /nfs/dbraw/zinc/39/62/37/988396237.db2.gz DLLSLDBKXRXSDX-UHFFFAOYSA-N 1 0 356.426 2.947 20 5 FFBDRO C/C(=C\C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000762612346 988512449 /nfs/dbraw/zinc/51/24/49/988512449.db2.gz KSQLXDAWSVRMPA-QJPKHSJYSA-N 1 0 361.442 2.615 20 5 FFBDRO C[N@@H+]1CCCC[C@H]1CCOC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000922748262 988865523 /nfs/dbraw/zinc/86/55/23/988865523.db2.gz QVPSERTXLJFFJN-HNNXBMFYSA-N 1 0 358.398 2.812 20 5 FFBDRO COc1cccc(C(=O)N(CC[NH+](C)C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000193885067 989097421 /nfs/dbraw/zinc/09/74/21/989097421.db2.gz OLSTWKKWWDNYOT-UHFFFAOYSA-N 1 0 357.410 2.807 20 5 FFBDRO C[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C(=O)N1c2ccccc2C[C@H]1C ZINC000915876596 989183630 /nfs/dbraw/zinc/18/36/30/989183630.db2.gz ZEDRFCXTUYNMTB-BIENJYKASA-N 1 0 369.421 2.584 20 5 FFBDRO CCCc1ccc(C[NH+]2CCC(N(C)C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1 ZINC001005381496 989740146 /nfs/dbraw/zinc/74/01/46/989740146.db2.gz LTBYBXWQBDELLX-RTBURBONSA-N 1 0 359.470 2.727 20 5 FFBDRO CCc1ccc(C[NH2+]Cc2ccc(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cc2)cc1 ZINC001034816334 990276326 /nfs/dbraw/zinc/27/63/26/990276326.db2.gz NFOFHWPLZBFYSW-WOJBJXKFSA-N 1 0 367.449 2.820 20 5 FFBDRO COc1cccc(C[NH+]2CCC(NC(=O)c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000918351810 990377773 /nfs/dbraw/zinc/37/77/73/990377773.db2.gz MWALDTWKPMUPBF-UHFFFAOYSA-N 1 0 369.421 2.998 20 5 FFBDRO CC(C)(C)OC(=O)NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000705629871 990477606 /nfs/dbraw/zinc/47/76/06/990477606.db2.gz QIGITOUKLZUXDT-UHFFFAOYSA-N 1 0 365.430 2.758 20 5 FFBDRO CC1(C)CCC(C[NH+]2CC3(C2)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC3)CC1 ZINC001035704239 990528657 /nfs/dbraw/zinc/52/86/57/990528657.db2.gz HKQUQNCPRSCMGX-IAGOWNOFSA-N 1 0 363.502 2.792 20 5 FFBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000919763098 990725543 /nfs/dbraw/zinc/72/55/43/990725543.db2.gz QXXNIQWKMCUEAV-XJKSGUPXSA-N 1 0 354.410 2.742 20 5 FFBDRO C[NH+]1CCN(c2ccc(-c3noc(-c4ccc([N+](=O)[O-])o4)n3)cc2)CC1 ZINC001212570071 990799908 /nfs/dbraw/zinc/79/99/08/990799908.db2.gz MMFZXUHPYHHIFH-UHFFFAOYSA-N 1 0 355.354 2.657 20 5 FFBDRO Cc1noc(COC(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000923851165 990840647 /nfs/dbraw/zinc/84/06/47/990840647.db2.gz QJWGWUGKVSQISP-DOMZBBRYSA-N 1 0 359.382 2.703 20 5 FFBDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000920451836 990850913 /nfs/dbraw/zinc/85/09/13/990850913.db2.gz URKZVMZHKPAPTQ-HNNXBMFYSA-N 1 0 373.457 2.715 20 5 FFBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879575105 1015592929 /nfs/dbraw/zinc/59/29/29/1015592929.db2.gz GONKOHABASDEKG-XPKDYRNWSA-N 1 0 357.414 2.732 20 5 FFBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000880028524 1015737560 /nfs/dbraw/zinc/73/75/60/1015737560.db2.gz ZMZVZTLMJZCNCT-CYBMUJFWSA-N 1 0 365.430 2.606 20 5 FFBDRO CC1([NH+]2CCC2)CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000880469591 1015844383 /nfs/dbraw/zinc/84/43/83/1015844383.db2.gz BRTIFDDTIIGBSN-UHFFFAOYSA-N 1 0 357.414 2.705 20 5 FFBDRO [NH3+]CCN(Cc1nccn1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000809735087 994585610 /nfs/dbraw/zinc/58/56/10/994585610.db2.gz XAKAZOFNBPASHN-UHFFFAOYSA-N 1 0 351.410 2.805 20 5 FFBDRO Cc1cnccc1OC1CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000809995337 994662704 /nfs/dbraw/zinc/66/27/04/994662704.db2.gz PHNOGQSTSBBRNP-GOSISDBHSA-N 1 0 357.410 2.875 20 5 FFBDRO O=C(NC1CC1)OC[C@@H]1CCCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000810037958 994683726 /nfs/dbraw/zinc/68/37/26/994683726.db2.gz YDDRFRZGLXGQFS-HNNXBMFYSA-N 1 0 363.414 2.717 20 5 FFBDRO O=C(O[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000810844484 994951128 /nfs/dbraw/zinc/95/11/28/994951128.db2.gz NWXKAYNKIOHPBR-HZPDHXFCSA-N 1 0 356.382 2.564 20 5 FFBDRO O=C(O[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000810844092 994951769 /nfs/dbraw/zinc/95/17/69/994951769.db2.gz ZZGGYGNEJDKQIM-LSDHHAIUSA-N 1 0 356.382 2.564 20 5 FFBDRO Cn1cc(C(=O)O[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000810848503 994953459 /nfs/dbraw/zinc/95/34/59/994953459.db2.gz VSJLCJMOPDGURP-HZPDHXFCSA-N 1 0 370.409 2.779 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCC[C@@](CO)(Cc3ccccc3)C2)cc1 ZINC000812873998 995557657 /nfs/dbraw/zinc/55/76/57/995557657.db2.gz RQAZNMYHUNGVQI-NHCUHLMSSA-N 1 0 370.449 2.945 20 5 FFBDRO Cc1cc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c(N)c([N+](=O)[O-])c1 ZINC000727767344 995938895 /nfs/dbraw/zinc/93/88/95/995938895.db2.gz WWCOHFLDXXBWKH-MRXNPFEDSA-N 1 0 368.437 2.880 20 5 FFBDRO O=C(NCc1ccc2c(c1)C[N@@H+](CC1CCCCC1)C2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001054265184 1015996469 /nfs/dbraw/zinc/99/64/69/1015996469.db2.gz HIKXRVQZGYVRHQ-RTBURBONSA-N 1 0 357.454 2.864 20 5 FFBDRO O=C(NC1CC[NH+](C2CCCCC2)CC1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000826771949 1016062084 /nfs/dbraw/zinc/06/20/84/1016062084.db2.gz VEZYPOCCSLFBCB-GOSISDBHSA-N 1 0 361.442 2.542 20 5 FFBDRO O=C(N[C@H]1C[C@@H]([NH+]2CCCC2)C1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000824101288 996786646 /nfs/dbraw/zinc/78/66/46/996786646.db2.gz NVEGVHHLGPERHA-WOVMCDHWSA-N 1 0 372.469 2.942 20 5 FFBDRO CC(C)(C[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1)C(N)=O ZINC000824608145 997009071 /nfs/dbraw/zinc/00/90/71/997009071.db2.gz BITVRKKFIOLLMW-GFCCVEGCSA-N 1 0 364.402 2.617 20 5 FFBDRO CC[NH+](CC)Cc1cccc(CNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000825305524 997307004 /nfs/dbraw/zinc/30/70/04/997307004.db2.gz MCIFBRLWDKGDNL-IBGZPJMESA-N 1 0 371.437 2.786 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)CC[NH+]1CCCCC1 ZINC001144274372 998243410 /nfs/dbraw/zinc/24/34/10/998243410.db2.gz WCLQYZPUIWRQNO-ZDUSSCGKSA-N 1 0 369.849 2.960 20 5 FFBDRO CC(C)CC[NH+]1CCC(CNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000826933353 1016215619 /nfs/dbraw/zinc/21/56/19/1016215619.db2.gz UVNMCOZXWCIDTD-GOSISDBHSA-N 1 0 363.458 2.503 20 5 FFBDRO C[NH+](C)[C@@H]1C[C@H](NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C12CCC2 ZINC001149205745 998667548 /nfs/dbraw/zinc/66/75/48/998667548.db2.gz NEDVKGCLHWZDJG-QWHCGFSZSA-N 1 0 355.797 2.990 20 5 FFBDRO COc1cccc2cc(C[NH2+][C@H](CO)[C@H](O)c3ccc([N+](=O)[O-])cc3)oc21 ZINC000735926074 999516445 /nfs/dbraw/zinc/51/64/45/999516445.db2.gz GRNGLLJXKIJZBY-SJLPKXTDSA-N 1 0 372.377 2.534 20 5 FFBDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(c2ccc([N+](=O)[O-])c3nonc32)C1 ZINC000742423416 999773405 /nfs/dbraw/zinc/77/34/05/999773405.db2.gz PQVOWLLCHCYXKD-CQSZACIVSA-N 1 0 353.382 2.842 20 5 FFBDRO COC(=O)c1cc(Br)ccc1C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168984462 1000012473 /nfs/dbraw/zinc/01/24/73/1000012473.db2.gz OHGAFRPIXTURDG-GWCFXTLKSA-N 1 0 371.231 2.771 20 5 FFBDRO COc1ccnc(-n2c(CCC[NH3+])nc3ccc(Cl)cc32)c1[N+](=O)[O-] ZINC001168995568 1000014043 /nfs/dbraw/zinc/01/40/43/1000014043.db2.gz KMYPJGIUBXOECY-UHFFFAOYSA-N 1 0 361.789 2.882 20 5 FFBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]C2CCN(Cc3ccc(F)c(F)c3)CC2)C1 ZINC001168997251 1000014263 /nfs/dbraw/zinc/01/42/63/1000014263.db2.gz YFECPRWTUVNKHF-XJKSGUPXSA-N 1 0 353.413 2.964 20 5 FFBDRO COc1cc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)ccc1OC1CCOCC1 ZINC001168999063 1000014524 /nfs/dbraw/zinc/01/45/24/1000014524.db2.gz ROPWWGPYXAHQCK-HZPDHXFCSA-N 1 0 364.442 2.788 20 5 FFBDRO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC[C@H]21 ZINC001169010725 1000015432 /nfs/dbraw/zinc/01/54/32/1000015432.db2.gz FUIAMHHSKRWEKK-KLHDSHLOSA-N 1 0 353.463 2.763 20 5 FFBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCN(Cc3ccncc3)c3ncccc3C2)C1 ZINC001169019627 1000017609 /nfs/dbraw/zinc/01/76/09/1000017609.db2.gz GYPXVDAEUCDBIS-MJGOQNOKSA-N 1 0 367.453 2.744 20 5 FFBDRO O=C(CC[N@@H+]1CC[C@@H](c2ccncc2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000846908639 1000484733 /nfs/dbraw/zinc/48/47/33/1000484733.db2.gz WDHXKEFQUAWFLM-CQSZACIVSA-N 1 0 358.373 2.947 20 5 FFBDRO O=C(NCC1=CC[N@H+](Cc2ccc(C3CCC3)cc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001000676231 1016422345 /nfs/dbraw/zinc/42/23/45/1016422345.db2.gz ZRYGZBBNEJOPNS-WOJBJXKFSA-N 1 0 369.465 2.868 20 5 FFBDRO COC(=O)Cc1ccc(-n2c(CC[NH3+])cc3ccccc32)cc1[N+](=O)[O-] ZINC001171303971 1000904743 /nfs/dbraw/zinc/90/47/43/1000904743.db2.gz LBSNONYAWPNISE-UHFFFAOYSA-N 1 0 353.378 2.755 20 5 FFBDRO O=[N+]([O-])c1ccn(C2CCN(Cc3nnc(-c4cccc(F)c4)o3)CC2)n1 ZINC000785861546 1001497923 /nfs/dbraw/zinc/49/79/23/1001497923.db2.gz FAEDLIQQRBMCCS-UHFFFAOYSA-N 1 0 372.360 2.818 20 5 FFBDRO CCOc1cc([N+](=O)[O-])c(C(=O)O[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1OC ZINC000788113771 1001763254 /nfs/dbraw/zinc/76/32/54/1001763254.db2.gz BWRPFHAQPZZLTL-QWHCGFSZSA-N 1 0 364.398 2.786 20 5 FFBDRO C[C@](O)(C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)c1ccc(F)cc1 ZINC000788435240 1001800491 /nfs/dbraw/zinc/80/04/91/1001800491.db2.gz GSDIZKHOLIDYRX-NUJGCVRESA-N 1 0 362.405 2.911 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@@H]2COC3(CCCCC3)O2)n1 ZINC000788439251 1001800611 /nfs/dbraw/zinc/80/06/11/1001800611.db2.gz VXONAILYMNNNSM-OWCLPIDISA-N 1 0 364.446 2.940 20 5 FFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CCNc3ccc(C(F)(F)F)cn3)C2)c1 ZINC001184399357 1002589485 /nfs/dbraw/zinc/58/94/85/1002589485.db2.gz UOJDNZGKDQSSBA-UHFFFAOYSA-N 1 0 370.335 2.610 20 5 FFBDRO CN(C)c1cc(F)c(C(=O)Nc2cc(C[NH+](C)C)ccn2)cc1[N+](=O)[O-] ZINC000791221857 1002611513 /nfs/dbraw/zinc/61/15/13/1002611513.db2.gz BHYJMCYEEIBTFX-UHFFFAOYSA-N 1 0 361.377 2.509 20 5 FFBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000791208354 1002617917 /nfs/dbraw/zinc/61/79/17/1002617917.db2.gz HIPICOKYZPVVDL-STQMWFEESA-N 1 0 366.437 2.650 20 5 FFBDRO COc1ccc(C[C@H](C)[NH2+][C@H](C(=O)N2CCCC2)C(C)C)c([N+](=O)[O-])c1 ZINC001170313026 1003104078 /nfs/dbraw/zinc/10/40/78/1003104078.db2.gz IXWCHLYYYQGACQ-KSSFIOAISA-N 1 0 363.458 2.771 20 5 FFBDRO COC[C@H]([NH2+][C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])[C@@H](O)c1ccccc1 ZINC001170318902 1003108449 /nfs/dbraw/zinc/10/84/49/1003108449.db2.gz RZOQZTPCBPHGHU-DCPHZVHLSA-N 1 0 374.437 2.873 20 5 FFBDRO COc1ccc(C[C@H](C)[NH2+]CC(=O)Nc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC001170325961 1003113238 /nfs/dbraw/zinc/11/32/38/1003113238.db2.gz ZCMFSKVIAJKLIO-LBPRGKRZSA-N 1 0 361.373 2.902 20 5 FFBDRO COc1ccc(C[C@H](C)N2CCN(c3cc[nH+]cc3)CC2)c([N+](=O)[O-])c1 ZINC001170329802 1003116864 /nfs/dbraw/zinc/11/68/64/1003116864.db2.gz UVYSHGLRBNCJGT-HNNXBMFYSA-N 1 0 356.426 2.752 20 5 FFBDRO COCC[N@H+]([C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])C1CCN(C)CC1 ZINC001170342100 1003130383 /nfs/dbraw/zinc/13/03/83/1003130383.db2.gz MAKQEJLLQJLDNU-HNNXBMFYSA-N 1 0 365.474 2.577 20 5 FFBDRO O=C(NCC1CC[NH+](Cc2ccccc2C2CC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001001399995 1016782336 /nfs/dbraw/zinc/78/23/36/1016782336.db2.gz PATXVIWXAOMXTO-RTBURBONSA-N 1 0 357.454 2.557 20 5 FFBDRO CCCN(CC[NH+]1CCCC1)C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000804442394 1003673564 /nfs/dbraw/zinc/67/35/64/1003673564.db2.gz VZFWOUBIDPIPRY-UHFFFAOYSA-N 1 0 366.437 2.748 20 5 FFBDRO C[C@@H]([NH2+][C@H]1CCCn2nccc21)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC001197240056 1004136347 /nfs/dbraw/zinc/13/63/47/1004136347.db2.gz SCTVFHDVFXMVSP-YGRLFVJLSA-N 1 0 363.805 2.896 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@]1(C)C[NH+]2CCC1CC2 ZINC001130798609 1004478213 /nfs/dbraw/zinc/47/82/13/1004478213.db2.gz HOYHPPQLZSLMNC-PIGZYNQJSA-N 1 0 367.833 2.616 20 5 FFBDRO Cc1ccc(C[NH2+]C[C@H]2CC[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1F ZINC001050326127 1016968061 /nfs/dbraw/zinc/96/80/61/1016968061.db2.gz SGPIGICHXRXOHV-GFOCRRMGSA-N 1 0 363.433 2.564 20 5 FFBDRO O=C(NCCC[N@H+](Cc1ccc2ccccc2c1)C1CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001490372577 1005701317 /nfs/dbraw/zinc/70/13/17/1005701317.db2.gz SWURKIUAYVWRBP-WOJBJXKFSA-N 1 0 367.449 2.976 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](CO)C[C@@H](O)c1ccccc1 ZINC000850448830 1005816255 /nfs/dbraw/zinc/81/62/55/1005816255.db2.gz VMIMYVZGOUXXOD-JCKWVBRZSA-N 1 0 360.410 2.739 20 5 FFBDRO C[N@@H+](Cc1cnn(-c2ccccc2)c1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776575305 1005953600 /nfs/dbraw/zinc/95/36/00/1005953600.db2.gz PUYUOJIKZDRPIJ-LJQANCHMSA-N 1 0 352.394 2.946 20 5 FFBDRO COc1ccc(C2([NH2+]C[C@@H](O)c3ccc([N+](=O)[O-])cc3)CCOCC2)cc1 ZINC000776593638 1006010994 /nfs/dbraw/zinc/01/09/94/1006010994.db2.gz UYXAPOUNCJKXNF-LJQANCHMSA-N 1 0 372.421 2.932 20 5 FFBDRO COC(=O)[C@@H]1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@H]2CCCC[C@H]12 ZINC000852497647 1006054616 /nfs/dbraw/zinc/05/46/16/1006054616.db2.gz XHRRMYZCUHZKEY-BDXSIMOUSA-N 1 0 362.426 2.682 20 5 FFBDRO COc1ccc(C[N@@H+]2CCCN(c3ccnc(F)c3[N+](=O)[O-])CC2)cc1 ZINC000881780971 1006215056 /nfs/dbraw/zinc/21/50/56/1006215056.db2.gz IAUZVRGXOGOSFY-UHFFFAOYSA-N 1 0 360.389 2.850 20 5 FFBDRO Cc1ccc(C(=O)Nc2cc(N3CC[NH+](C)CC3)ccc2[N+](=O)[O-])cc1 ZINC001134197784 1006226926 /nfs/dbraw/zinc/22/69/26/1006226926.db2.gz NOFKQAHRTPQXGY-UHFFFAOYSA-N 1 0 354.410 2.907 20 5 FFBDRO Cc1cccc(CCC[NH+]2CCC3(CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)CC2)c1 ZINC001050516791 1017035792 /nfs/dbraw/zinc/03/57/92/1017035792.db2.gz JUWXBNDDQDUUIY-RTBURBONSA-N 1 0 371.481 2.517 20 5 FFBDRO C[NH+](C)CCOc1ccc(/C=C\C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000776676471 1006391062 /nfs/dbraw/zinc/39/10/62/1006391062.db2.gz MHGHFDXCHDTCKG-YHYXMXQVSA-N 1 0 371.393 2.893 20 5 FFBDRO C[C@H]1CN(c2ccc(C(F)F)cc2[N+](=O)[O-])CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000853464649 1006397603 /nfs/dbraw/zinc/39/76/03/1006397603.db2.gz MRLUYRAHUVSIIG-ZFWWWQNUSA-N 1 0 368.428 2.995 20 5 FFBDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(F)c(F)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815577301 1006692980 /nfs/dbraw/zinc/69/29/80/1006692980.db2.gz MFMRYSXTQUHTOG-ZYHUDNBSSA-N 1 0 367.352 2.546 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC001189253715 1006976941 /nfs/dbraw/zinc/97/69/41/1006976941.db2.gz OXGOZMKJXZWKEB-IUODEOHRSA-N 1 0 369.487 2.610 20 5 FFBDRO CCC1([NH+]2CCC2)CCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000884089266 1007228735 /nfs/dbraw/zinc/22/87/35/1007228735.db2.gz KFJIVRFCSRRBCW-UHFFFAOYSA-N 1 0 360.458 2.797 20 5 FFBDRO C[C@H](COCc1ccccc1)C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC001170891681 1007884966 /nfs/dbraw/zinc/88/49/66/1007884966.db2.gz FIMCABVVLZQTDS-KRWDZBQOSA-N 1 0 370.453 2.965 20 5 FFBDRO Cc1ccc(OC[C@@H](C)[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000818982832 1007999323 /nfs/dbraw/zinc/99/93/23/1007999323.db2.gz SUORTACNMAWVJK-HZPDHXFCSA-N 1 0 360.410 2.700 20 5 FFBDRO CC(C)(C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCO2 ZINC000818984903 1008000629 /nfs/dbraw/zinc/00/06/29/1008000629.db2.gz JDGGJRJWBNXUFS-MRXNPFEDSA-N 1 0 358.394 2.924 20 5 FFBDRO Cc1ccc([C@H](C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)N2CCCC2)o1 ZINC000818997014 1008004651 /nfs/dbraw/zinc/00/46/51/1008004651.db2.gz PKJFHGFGZZCZMS-ROUUACIJSA-N 1 0 359.426 2.956 20 5 FFBDRO COc1cccc(N2CC[C@@H](C[NH2+]C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)c1 ZINC000819002076 1008005618 /nfs/dbraw/zinc/00/56/18/1008005618.db2.gz IIEDIIAGKZQWGM-MGPUTAFESA-N 1 0 371.437 2.753 20 5 FFBDRO CC(C)(C)OC(=O)N(CC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000819007789 1008006449 /nfs/dbraw/zinc/00/64/49/1008006449.db2.gz PQLCICLQOYDYNR-MRXNPFEDSA-N 1 0 365.430 2.617 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@H]2CCN(c3ccc(F)cc3F)C2)cc1 ZINC000819033954 1008027284 /nfs/dbraw/zinc/02/72/84/1008027284.db2.gz UYHNIFKFGBYQHT-KSSFIOAISA-N 1 0 363.364 2.775 20 5 FFBDRO CC(=O)N1CC[C@@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000819191464 1008061875 /nfs/dbraw/zinc/06/18/75/1008061875.db2.gz RCZZGANOOJGJLI-IEBWSBKVSA-N 1 0 355.394 2.716 20 5 FFBDRO C[C@H]([NH2+]CC1(OCCO)CCC(F)(F)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000858484027 1008366932 /nfs/dbraw/zinc/36/69/32/1008366932.db2.gz GYORKEYGTRQNGR-LBPRGKRZSA-N 1 0 373.400 2.785 20 5 FFBDRO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886020917 1008518652 /nfs/dbraw/zinc/51/86/52/1008518652.db2.gz KLRRBIBFHHDWJF-ZDUSSCGKSA-N 1 0 374.363 2.613 20 5 FFBDRO C[C@@H]1C[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC[C@H]1C(=O)OC(C)(C)C ZINC000859613053 1008588522 /nfs/dbraw/zinc/58/85/22/1008588522.db2.gz VZKZAGFPRUOJHC-KBRIMQKVSA-N 1 0 364.442 2.928 20 5 FFBDRO Cc1cc(C(=O)N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c(N)c([N+](=O)[O-])c1 ZINC000137512937 1008617256 /nfs/dbraw/zinc/61/72/56/1008617256.db2.gz LBFADFHJRCWQJZ-GDBMZVCRSA-N 1 0 368.437 2.878 20 5 FFBDRO CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000886592841 1008762952 /nfs/dbraw/zinc/76/29/52/1008762952.db2.gz CIWNFSGPYYOWNM-AWEZNQCLSA-N 1 0 372.425 2.651 20 5 FFBDRO O=C(OCCC[NH+]1CCCC1)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1 ZINC000860287885 1008934497 /nfs/dbraw/zinc/93/44/97/1008934497.db2.gz QMZBYCWJHMPSFB-UHFFFAOYSA-N 1 0 362.361 2.562 20 5 FFBDRO [NH3+]C1(Cc2nc(-c3ccc4ccc5cccnc5c4n3)no2)CCOCC1 ZINC001206620170 1032366709 /nfs/dbraw/zinc/36/67/09/1032366709.db2.gz ZFXFPJLFURPDQT-UHFFFAOYSA-N 1 0 361.405 2.883 20 5 FFBDRO Cc1cc(F)ccc1C[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001178463898 1008996583 /nfs/dbraw/zinc/99/65/83/1008996583.db2.gz MJBIZABHTPBNDQ-IAGOWNOFSA-N 1 0 351.422 2.566 20 5 FFBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N(C)C3CC[NH2+]CC3)cc2[N+](=O)[O-])C1 ZINC000125493700 1009198252 /nfs/dbraw/zinc/19/82/52/1009198252.db2.gz CNEFRWFIABXKOJ-HUUCEWRRSA-N 1 0 374.485 2.901 20 5 FFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)OC[C@]1(C)C[C@@H](OC)C[N@@H+]1C ZINC000861348301 1009365614 /nfs/dbraw/zinc/36/56/14/1009365614.db2.gz NZBJXQKSXAWCAH-SUMDDJOVSA-N 1 0 364.442 2.816 20 5 FFBDRO O=C(OCC12CCC[NH+](CCC1)C2)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000861355480 1009370491 /nfs/dbraw/zinc/37/04/91/1009370491.db2.gz QJBGSMYWIWVEFP-UHFFFAOYSA-N 1 0 370.409 2.813 20 5 FFBDRO O=C(OCC12CCC[NH+](CCC1)C2)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000861359070 1009375149 /nfs/dbraw/zinc/37/51/49/1009375149.db2.gz UADNRAMFFJLFJH-UHFFFAOYSA-N 1 0 370.409 2.813 20 5 FFBDRO O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC(c2ccccc2)([NH+]2CCCC2)CC1 ZINC000887613936 1009388758 /nfs/dbraw/zinc/38/87/58/1009388758.db2.gz YNETZMXYSFTQOT-UHFFFAOYSA-N 1 0 369.425 2.545 20 5 FFBDRO C[NH+]1CCC2(CC1)CN(C(=O)c1cc([N+](=O)[O-])cc3ccccc31)CCO2 ZINC000862115434 1009706307 /nfs/dbraw/zinc/70/63/07/1009706307.db2.gz WPRITSDUNUXMBH-UHFFFAOYSA-N 1 0 369.421 2.685 20 5 FFBDRO COC(=O)COc1ccccc1C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC001181153819 1009995597 /nfs/dbraw/zinc/99/55/97/1009995597.db2.gz HNAMDJQRFSLYRX-UHFFFAOYSA-N 1 0 358.394 2.821 20 5 FFBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)CCNC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000794464413 1010043189 /nfs/dbraw/zinc/04/31/89/1010043189.db2.gz PFYYSIPXTRKYMR-HIFRSBDPSA-N 1 0 367.446 2.830 20 5 FFBDRO Cc1c(C(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000863032055 1010089243 /nfs/dbraw/zinc/08/92/43/1010089243.db2.gz DLQGLVJHCMUSSV-CYBMUJFWSA-N 1 0 362.386 2.558 20 5 FFBDRO O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000863035250 1010091251 /nfs/dbraw/zinc/09/12/51/1010091251.db2.gz UNUNJBKXXUSJEE-QGZVFWFLSA-N 1 0 372.469 2.942 20 5 FFBDRO Cc1nn(CN2CCC(Cc3nc(C4CCC4)no3)CC2)c(C)c1[N+](=O)[O-] ZINC000863315570 1010172603 /nfs/dbraw/zinc/17/26/03/1010172603.db2.gz BZPIQUJMJHRGSC-UHFFFAOYSA-N 1 0 374.445 2.971 20 5 FFBDRO COc1cc(CN(C)C[C@H](C)[NH3+])ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000863651658 1010276146 /nfs/dbraw/zinc/27/61/46/1010276146.db2.gz KNFJTUYLLRRVJL-AWEZNQCLSA-N 1 0 359.426 2.961 20 5 FFBDRO C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3F)nc2)C1 ZINC000773202748 1010405852 /nfs/dbraw/zinc/40/58/52/1010405852.db2.gz DDPXVIHQUQUBAQ-AWEZNQCLSA-N 1 0 373.388 2.522 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@@H](O)c2c(F)cccc2F)n1 ZINC000774252296 1010536496 /nfs/dbraw/zinc/53/64/96/1010536496.db2.gz LEAMNIUFGQRQFP-RRFJBIMHSA-N 1 0 366.368 2.876 20 5 FFBDRO NC(=O)[C@H]1C[C@H]1C(=O)Nc1cc2oc3cc(=[NH2+])ccc-3nc2c2ccccc12 ZINC001182379708 1010542591 /nfs/dbraw/zinc/54/25/91/1010542591.db2.gz HNLSIYJDYWMKNS-UONOGXRCSA-N 1 0 372.384 2.625 20 5 FFBDRO O=C1c2cccc([N+](=O)[O-])c2C(=O)N1CN1CC[C@H](c2ccccc2)C1 ZINC000120272573 1010603304 /nfs/dbraw/zinc/60/33/04/1010603304.db2.gz VKYQJHCOBAOOSU-AWEZNQCLSA-N 1 0 351.362 2.638 20 5 FFBDRO C[NH+](C)CCOc1cccc(NC(=O)Cc2cccc(F)c2[N+](=O)[O-])c1 ZINC000865070935 1010703823 /nfs/dbraw/zinc/70/38/23/1010703823.db2.gz YOTMIXWBYGWZES-UHFFFAOYSA-N 1 0 361.373 2.856 20 5 FFBDRO O=[N+]([O-])c1cc(CO)c(NCC2([NH+]3CCCCC3)CCOCC2)cc1F ZINC000865547043 1010812838 /nfs/dbraw/zinc/81/28/38/1010812838.db2.gz MXYYQBRRENOOIJ-UHFFFAOYSA-N 1 0 367.421 2.673 20 5 FFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000866273981 1010968001 /nfs/dbraw/zinc/96/80/01/1010968001.db2.gz VJXYEHLRIOHQKY-XJKSGUPXSA-N 1 0 361.421 2.657 20 5 FFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1ccc2oc(=O)n(C)c2c1 ZINC000866398438 1010987416 /nfs/dbraw/zinc/98/74/16/1010987416.db2.gz PCXPRDMRDIWJSR-NSHDSACASA-N 1 0 359.357 2.900 20 5 FFBDRO C[C@]([NH3+])(C(=O)NC[C@H]1SCCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000867944849 1011127842 /nfs/dbraw/zinc/12/78/42/1011127842.db2.gz KAQPSHIRYDWBIJ-IEBWSBKVSA-N 1 0 371.462 2.916 20 5 FFBDRO C[NH+](C)C1(C)CCC(NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)CC1 ZINC000869008815 1011569831 /nfs/dbraw/zinc/56/98/31/1011569831.db2.gz VYDRRCBCAGTJCL-UHFFFAOYSA-N 1 0 360.458 2.925 20 5 FFBDRO O=C1C=CC(=O)N1CCCCC[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172901880 1012074433 /nfs/dbraw/zinc/07/44/33/1012074433.db2.gz QQXKXBRBNRGKNN-QGZVFWFLSA-N 1 0 371.437 2.527 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H](N(c1ncccn1)C1CC[NH2+]CC1)CC2 ZINC001172914193 1012097692 /nfs/dbraw/zinc/09/76/92/1012097692.db2.gz DYRCWYLIRFDQDZ-KRWDZBQOSA-N 1 0 367.453 2.891 20 5 FFBDRO CN1C(=O)CC[C@@H]2C[N@H+]([C@H]3CCc4ccc([N+](=O)[O-])cc4CC3)CC[C@H]21 ZINC001172912619 1012125492 /nfs/dbraw/zinc/12/54/92/1012125492.db2.gz KTESXICHUNMFKP-ZIFCJYIRSA-N 1 0 357.454 2.785 20 5 FFBDRO CC[NH+](CC)C[C@@H]1CN([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCO1 ZINC001172913038 1012126057 /nfs/dbraw/zinc/12/60/57/1012126057.db2.gz OMXDXUALYUXCBX-UYAOXDASSA-N 1 0 361.486 2.885 20 5 FFBDRO C[NH2+]C[C@H]1CCN(C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C1 ZINC000646709139 1012149931 /nfs/dbraw/zinc/14/99/31/1012149931.db2.gz RRBMZIZYHRXVQG-LLVKDONJSA-N 1 0 371.387 2.641 20 5 FFBDRO CC[C@H](C)[C@@H](CO)[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173006393 1012172936 /nfs/dbraw/zinc/17/29/36/1012172936.db2.gz TWYBRCIHBMFUNV-MEDUHNTESA-N 1 0 357.401 2.838 20 5 FFBDRO C[C@@H]1CCC[N@H+](C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)[C@@H]1CO ZINC001173009675 1012179341 /nfs/dbraw/zinc/17/93/41/1012179341.db2.gz HAAJSOCHXHKDPK-SJKOYZFVSA-N 1 0 369.412 2.935 20 5 FFBDRO C[C@H]1C[N@@H+](C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)CC[C@H]1O ZINC001173010222 1012179359 /nfs/dbraw/zinc/17/93/59/1012179359.db2.gz OAAAXZNQKIHBSE-MEDUHNTESA-N 1 0 355.385 2.545 20 5 FFBDRO C[C@H]1CC[C@H](CO)C[N@@H+]1C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173009341 1012179580 /nfs/dbraw/zinc/17/95/80/1012179580.db2.gz BHHSUEARBCVSLM-STQMWFEESA-N 1 0 369.412 2.935 20 5 FFBDRO C[C@@H]1CO[C@@H]2C[N@@H+](C3CCN(c4c(F)cc([N+](=O)[O-])cc4F)CC3)C[C@H]12 ZINC001173015923 1012186302 /nfs/dbraw/zinc/18/63/02/1012186302.db2.gz WWYLAJDYYQTDQS-JDSLSITLSA-N 1 0 367.396 2.809 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(N2CCC([N@H+]3CCCC[C@@H]3CO)CC2)c(F)c1 ZINC001173014930 1012187662 /nfs/dbraw/zinc/18/76/62/1012187662.db2.gz WPZYYLHCABUVCK-CYBMUJFWSA-N 1 0 355.385 2.689 20 5 FFBDRO CC[N@H+]([C@@H](C)C(=O)OC)C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173017137 1012189888 /nfs/dbraw/zinc/18/98/88/1012189888.db2.gz XNPVUBZDWKOXKB-NSHDSACASA-N 1 0 371.384 2.725 20 5 FFBDRO [NH3+][C@@H](CC1CCCCC1)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000003963626 1012206552 /nfs/dbraw/zinc/20/65/52/1012206552.db2.gz VKVOTCUATGJWBR-SFHVURJKSA-N 1 0 360.458 2.541 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]Cc2nnc3c(C)cccn23)c1F ZINC001173175805 1012320309 /nfs/dbraw/zinc/32/03/09/1012320309.db2.gz SUZWZIYYZKJKCX-LBPRGKRZSA-N 1 0 373.388 2.814 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C[C@H]2COc3cnccc32)c1F ZINC001173180532 1012323902 /nfs/dbraw/zinc/32/39/02/1012323902.db2.gz RGVNHRDWUOAIHU-RYUDHWBXSA-N 1 0 361.373 2.834 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]Cc2ccccc2C(N)=O)c1F ZINC001173180294 1012325316 /nfs/dbraw/zinc/32/53/16/1012325316.db2.gz UTTCLKXGFGLGDC-LLVKDONJSA-N 1 0 361.373 2.562 20 5 FFBDRO COc1cncc(CC[NH2+][C@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])c1 ZINC001173187680 1012329680 /nfs/dbraw/zinc/32/96/80/1012329680.db2.gz FHMWDESWWUNEDK-GFCCVEGCSA-N 1 0 363.389 2.909 20 5 FFBDRO CCOC(=O)[C@@H]1CCC[N@@H+]([C@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C1 ZINC001173190324 1012331452 /nfs/dbraw/zinc/33/14/52/1012331452.db2.gz SUSLOGAQHRZUOK-CHWSQXEVSA-N 1 0 368.405 2.949 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CC[C@@H](c3nc(C)no3)C2)c1F ZINC001173197574 1012340071 /nfs/dbraw/zinc/34/00/71/1012340071.db2.gz UPZIWBKKIMTOLF-CMPLNLGQSA-N 1 0 364.377 2.854 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+]2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)c1F ZINC001173196574 1012340711 /nfs/dbraw/zinc/34/07/11/1012340711.db2.gz NSRSFARAJAPTBY-GIRXQMHSSA-N 1 0 350.390 2.783 20 5 FFBDRO Cc1noc(C[C@H]2C[C@H]3C[N@@H+]([C@@H](C)Cc4ccc([N+](=O)[O-])cc4)C[C@H]3O2)n1 ZINC001173223766 1012354796 /nfs/dbraw/zinc/35/47/96/1012354796.db2.gz CJBAHZNKCWEWPF-PWUKJLEFSA-N 1 0 372.425 2.549 20 5 FFBDRO CCOC[C@H]1C[N@@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)Cc2cn(C)nc21 ZINC001173223447 1012356170 /nfs/dbraw/zinc/35/61/70/1012356170.db2.gz FXJMCWBBAJQOGG-WMLDXEAASA-N 1 0 358.442 2.895 20 5 FFBDRO COc1nccc(N([C@H](C)Cc2ccc([N+](=O)[O-])cc2)C2CC[NH2+]CC2)n1 ZINC001173238329 1012384687 /nfs/dbraw/zinc/38/46/87/1012384687.db2.gz PRWDCGLFPIJOKA-CQSZACIVSA-N 1 0 371.441 2.583 20 5 FFBDRO C[NH+](C)Cc1ccc(C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cn1 ZINC001137351430 1017676619 /nfs/dbraw/zinc/67/66/19/1017676619.db2.gz COQTYCWINYWBMD-UHFFFAOYSA-N 1 0 354.410 2.856 20 5 FFBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@H](O)C12CCOCC2 ZINC000927153739 1018382702 /nfs/dbraw/zinc/38/27/02/1018382702.db2.gz CCZOJUGLYFBEDM-WQCNXYOZSA-N 1 0 360.454 2.826 20 5 FFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+][C@H]2C[C@@](CO)(c3ccccc3)C2)n1 ZINC000927157042 1018384582 /nfs/dbraw/zinc/38/45/82/1018384582.db2.gz NFOFDIKNBBCVAL-XSYGEPLQSA-N 1 0 370.453 2.957 20 5 FFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC000928830567 1019143117 /nfs/dbraw/zinc/14/31/17/1019143117.db2.gz IVVJKCULEKCYIH-HNNXBMFYSA-N 1 0 372.425 2.811 20 5 FFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)OC[C@H]1C[N@@H+](C(C)C)CCO1 ZINC000802138835 1019791880 /nfs/dbraw/zinc/79/18/80/1019791880.db2.gz PVFWYZVRTZHDOO-SJLPKXTDSA-N 1 0 364.442 2.816 20 5 FFBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@H](O)CC[C@@H](O)c1ccccc1 ZINC000930442225 1020035955 /nfs/dbraw/zinc/03/59/55/1020035955.db2.gz WHWBIOZAOLPYIX-UYAOXDASSA-N 1 0 358.438 2.944 20 5 FFBDRO CCc1cccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C3)c1 ZINC001048525238 1020276447 /nfs/dbraw/zinc/27/64/47/1020276447.db2.gz PNVVRXZAQDVYQN-USYVTKNRSA-N 1 0 371.481 2.773 20 5 FFBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1C[C@]2(C)C[N@H+](C)C[C@]2(C)C1 ZINC000931308299 1020415308 /nfs/dbraw/zinc/41/53/08/1020415308.db2.gz SLXMNQOGOUOSOC-ZNOIYHFQSA-N 1 0 371.441 2.979 20 5 FFBDRO Cc1cc(C)cc([C@@H](O)C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c1 ZINC000800896598 1020632197 /nfs/dbraw/zinc/63/21/97/1020632197.db2.gz NQFWXOUCKHYKAQ-KRWDZBQOSA-N 1 0 358.394 2.806 20 5 FFBDRO C[NH+]1CCC2(CCN2C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)CC1 ZINC000931995729 1020659358 /nfs/dbraw/zinc/65/93/58/1020659358.db2.gz GMFCYWZLWUFHTR-UHFFFAOYSA-N 1 0 355.398 2.845 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC([C@@]2(C)COC(=O)N2)CC1 ZINC000932093236 1020706080 /nfs/dbraw/zinc/70/60/80/1020706080.db2.gz OSYNQQSXJWYHCM-GOSISDBHSA-N 1 0 363.414 2.704 20 5 FFBDRO COc1cccc(COC[C@H](O)C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000932181609 1020734779 /nfs/dbraw/zinc/73/47/79/1020734779.db2.gz XDOYRVVJPOKTJH-RDTXWAMCSA-N 1 0 360.410 2.832 20 5 FFBDRO COC(=O)c1cc(Br)cc([N+](=O)[O-])c1O[C@@H]1CCCC[NH2+]C1 ZINC001217970498 1032924943 /nfs/dbraw/zinc/92/49/43/1032924943.db2.gz HDTPNJYYQJCLQR-SNVBAGLBSA-N 1 0 373.203 2.665 20 5 FFBDRO O=[N+]([O-])c1ccc(O[C@@H]2CCCC[NH2+]C2)c(I)c1 ZINC001217967466 1032925164 /nfs/dbraw/zinc/92/51/64/1032925164.db2.gz ASGPUAHSEIKVEJ-SNVBAGLBSA-N 1 0 362.167 2.720 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1C ZINC000900980375 1020763289 /nfs/dbraw/zinc/76/32/89/1020763289.db2.gz KSOASDZKRNVSOL-GASCZTMLSA-N 1 0 363.458 2.831 20 5 FFBDRO Cn1nc(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1C(F)(F)F ZINC000903341580 1020796144 /nfs/dbraw/zinc/79/61/44/1020796144.db2.gz PCJBQOVIQVBOTQ-NEPJUHHUSA-N 1 0 372.351 2.817 20 5 FFBDRO O=[N+]([O-])c1cc(O[C@H]2CCC[NH2+]CC2)ccc1I ZINC001217994819 1032939125 /nfs/dbraw/zinc/93/91/25/1032939125.db2.gz BMKOJGFYTACJHS-VIFPVBQESA-N 1 0 362.167 2.720 20 5 FFBDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000749601111 1021012344 /nfs/dbraw/zinc/01/23/44/1021012344.db2.gz CBZMWIDRQZHYJC-AWEZNQCLSA-N 1 0 367.421 2.884 20 5 FFBDRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2ccccc2[N+](=O)[O-])cc1OC ZINC000933445598 1021014424 /nfs/dbraw/zinc/01/44/24/1021014424.db2.gz RIXJVYXTJMGENY-LJQANCHMSA-N 1 0 360.410 2.695 20 5 FFBDRO Cc1cc(Br)c(O[C@H]2CSC3(C[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC001218099491 1032993679 /nfs/dbraw/zinc/99/36/79/1032993679.db2.gz HRVBEEWVYIDWLX-SECBINFHSA-N 1 0 359.245 2.892 20 5 FFBDRO O=[N+]([O-])c1ccc(O[C@@H]2CC[C@@]23CC[NH2+]C3)cc1I ZINC001218118824 1033005471 /nfs/dbraw/zinc/00/54/71/1033005471.db2.gz QRODBJIEEVWOOU-OLZOCXBDSA-N 1 0 374.178 2.720 20 5 FFBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000042673852 1022182751 /nfs/dbraw/zinc/18/27/51/1022182751.db2.gz PVSUSFXMMNNXSM-GOSISDBHSA-N 1 0 374.416 2.833 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H](CO)CC1CCOCC1 ZINC001118488878 1022259242 /nfs/dbraw/zinc/25/92/42/1022259242.db2.gz APKJZDNVGURFMH-ZFWWWQNUSA-N 1 0 352.431 2.679 20 5 FFBDRO C[C@H]1CCC[C@](CNC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)([NH+](C)C)C1 ZINC000116487791 1022406670 /nfs/dbraw/zinc/40/66/70/1022406670.db2.gz AXOUGLVTBQSVIE-LIRRHRJNSA-N 1 0 362.474 2.901 20 5 FFBDRO CCCSc1nc(OC2CC3(C2)CCC[NH2+]C3)c([N+](=O)[O-])c(=O)[n-]1 ZINC001218255762 1033070500 /nfs/dbraw/zinc/07/05/00/1033070500.db2.gz KONAHRWURHMQPK-UHFFFAOYSA-N 1 0 354.432 2.504 20 5 FFBDRO CCC1([NH3+])CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC001119374710 1022717597 /nfs/dbraw/zinc/71/75/97/1022717597.db2.gz GOKDAZFRKZKJFC-UHFFFAOYSA-N 1 0 370.247 2.630 20 5 FFBDRO O=[N+]([O-])c1ccc2nc(OC[C@H]3C[NH2+]CCCO3)cc(C(F)(F)F)c2c1 ZINC001218301893 1033092882 /nfs/dbraw/zinc/09/28/82/1033092882.db2.gz ILIGHMJOGGHFCB-LLVKDONJSA-N 1 0 371.315 2.919 20 5 FFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(C1)CC[NH+](CCC1=CCCCC1)CC2 ZINC001040700747 1022954589 /nfs/dbraw/zinc/95/45/89/1022954589.db2.gz QXDQHGIJVUUHBB-QZTJIDSGSA-N 1 0 361.486 2.857 20 5 FFBDRO COCCC[NH+]1CCC(NC(=O)/C=C(\C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000751918061 1022973530 /nfs/dbraw/zinc/97/35/30/1022973530.db2.gz CXCYXPOABGRXOR-CCEZHUSRSA-N 1 0 361.442 2.615 20 5 FFBDRO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C[C@]1(O)CCc2ccccc21 ZINC000829359100 1033118856 /nfs/dbraw/zinc/11/88/56/1033118856.db2.gz WPTZGXFVVCNVCU-HXUWFJFHSA-N 1 0 369.421 2.689 20 5 FFBDRO [NH3+]C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C[C@H]1c1ccccc1 ZINC001122485695 1023299751 /nfs/dbraw/zinc/29/97/51/1023299751.db2.gz OAAGTDWGLBLLDL-LMCOJAPRSA-N 1 0 365.433 2.899 20 5 FFBDRO O=C(O[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000779207090 1023357674 /nfs/dbraw/zinc/35/76/74/1023357674.db2.gz XLXBUHLVXMAWNP-OAHLLOKOSA-N 1 0 370.361 2.755 20 5 FFBDRO CCN(CCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1)CC(F)(F)F ZINC000753914533 1023397899 /nfs/dbraw/zinc/39/78/99/1023397899.db2.gz FZTLYPPZPZCCAT-UHFFFAOYSA-N 1 0 374.407 2.991 20 5 FFBDRO O=[N+]([O-])c1cccc2ncnc(NC3CC[NH+](C[C@H]4CCCO4)CC3)c21 ZINC000754014183 1023415846 /nfs/dbraw/zinc/41/58/46/1023415846.db2.gz SNGDMAONGQFJAK-CQSZACIVSA-N 1 0 357.414 2.593 20 5 FFBDRO CC(C)Cn1c([C@H](C)[N+](=O)[O-])nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC001122822904 1023495652 /nfs/dbraw/zinc/49/56/52/1023495652.db2.gz JXCQYUCYTDIHJU-HNNXBMFYSA-N 1 0 364.494 2.727 20 5 FFBDRO C[C@@H]1C[NH2+]CC[C@H]1Oc1cc(I)ccc1[N+](=O)[O-] ZINC001218417334 1033146976 /nfs/dbraw/zinc/14/69/76/1033146976.db2.gz VPOGPAUKODUNBN-LDYMZIIASA-N 1 0 362.167 2.576 20 5 FFBDRO C[C@H]1C[NH2+]CC[C@H]1Oc1cc([N+](=O)[O-])ccc1I ZINC001218412845 1033143910 /nfs/dbraw/zinc/14/39/10/1033143910.db2.gz GOYXVZZVZWAJAP-GZMMTYOYSA-N 1 0 362.167 2.576 20 5 FFBDRO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C3CC3)[C@@H]2C1 ZINC001123705340 1023949472 /nfs/dbraw/zinc/94/94/72/1023949472.db2.gz MLSLFPTUOFHCQX-BMGDILEWSA-N 1 0 358.442 2.609 20 5 FFBDRO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)[C@H]2C1 ZINC001124025332 1024233096 /nfs/dbraw/zinc/23/30/96/1024233096.db2.gz LHIPJEDIMDSCFM-GZRFBZBPSA-N 1 0 361.445 2.751 20 5 FFBDRO Cc1nn(CN2CCC[C@@H]2Cn2c(C)nc3ccccc32)cc1[N+](=O)[O-] ZINC000779867437 1025179464 /nfs/dbraw/zinc/17/94/64/1025179464.db2.gz IJEBYJYBLAXIHK-OAHLLOKOSA-N 1 0 354.414 2.880 20 5 FFBDRO CC(C)[C@H]1C[NH2+]CCN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000638482804 1025861543 /nfs/dbraw/zinc/86/15/43/1025861543.db2.gz CXDLTNJPRZFXAN-HXUWFJFHSA-N 1 0 363.461 2.611 20 5 FFBDRO C[C@@H]1CC[C@H](NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C[NH2+]1 ZINC000638651174 1025918812 /nfs/dbraw/zinc/91/88/12/1025918812.db2.gz NRHLIZBRVWXIDZ-MFKMUULPSA-N 1 0 371.387 2.830 20 5 FFBDRO O=[N+]([O-])c1ccc2ncnc(NC3CC[NH+](CC4CCOCC4)CC3)c2c1 ZINC001161211490 1026234336 /nfs/dbraw/zinc/23/43/36/1026234336.db2.gz BINKUHVZRJLBSW-UHFFFAOYSA-N 1 0 371.441 2.841 20 5 FFBDRO Cc1nn(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)c2ncc([N+](=O)[O-])cc12 ZINC000840117174 1026965135 /nfs/dbraw/zinc/96/51/35/1026965135.db2.gz SKSGVOHMYIMWDP-UAGQMJEPSA-N 1 0 359.430 2.621 20 5 FFBDRO COc1nc(C)c([N+](=O)[O-])c(-n2c(-c3ccccc3)cnc2[C@H](C)[NH3+])n1 ZINC001159592590 1027438772 /nfs/dbraw/zinc/43/87/72/1027438772.db2.gz YYLTVCVYQKEEHF-JTQLQIEISA-N 1 0 354.370 2.574 20 5 FFBDRO COc1nc(Nc2ccc(C[NH3+])cc2C(F)(F)F)nc(OC)c1[N+](=O)[O-] ZINC001160419242 1027698501 /nfs/dbraw/zinc/69/85/01/1027698501.db2.gz MMAWARTVYKYIMF-UHFFFAOYSA-N 1 0 373.291 2.623 20 5 FFBDRO [NH3+]C[C@]1(Nc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CN2CCC1CC2 ZINC001160517896 1027734491 /nfs/dbraw/zinc/73/44/91/1027734491.db2.gz DZWWRYJPGXJHOZ-IBGZPJMESA-N 1 0 371.416 2.631 20 5 FFBDRO CN(Cc1c2ccccc2cc2ccccc21)C(=O)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001160740204 1027846372 /nfs/dbraw/zinc/84/63/72/1027846372.db2.gz YWODZRBRPBCFET-JPYJTQIMSA-N 1 0 359.473 2.903 20 5 FFBDRO Nc1cc([N+](=O)[O-])cnc1-n1cc(C[NH3+])c2ccc(Br)cc21 ZINC001160757899 1027865974 /nfs/dbraw/zinc/86/59/74/1027865974.db2.gz BDRLSFCUOQNCNE-UHFFFAOYSA-N 1 0 362.187 2.737 20 5 FFBDRO CC(C)[C@@H](C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)[NH+]1CCCCC1 ZINC001154331943 1028244727 /nfs/dbraw/zinc/24/47/27/1028244727.db2.gz XUGFXGZSPRCOLN-SFHVURJKSA-N 1 0 361.442 2.695 20 5 FFBDRO COc1ccc(C(=O)CNc2ccc([N+](=O)[O-])c(OCC[NH+](C)C)c2)cc1 ZINC001161806645 1028322584 /nfs/dbraw/zinc/32/25/84/1028322584.db2.gz YGPHMBGMYGYXOW-UHFFFAOYSA-N 1 0 373.409 2.839 20 5 FFBDRO COc1cc2ncnc(N(CC[NH3+])c3ccc(F)cc3)c2cc1[N+](=O)[O-] ZINC001161880676 1028346551 /nfs/dbraw/zinc/34/65/51/1028346551.db2.gz OFRJERBKCKEKGZ-UHFFFAOYSA-N 1 0 357.345 2.783 20 5 FFBDRO Cc1ccc2c(c1)[C@@H](Nc1ccc([N+](=O)[O-])c(OCC[NH+](C)C)c1)C(=O)N2 ZINC001162575627 1028584865 /nfs/dbraw/zinc/58/48/65/1028584865.db2.gz OWKCYPIGUICDKV-GOSISDBHSA-N 1 0 370.409 2.949 20 5 FFBDRO CC(C)(C)CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001162811043 1028663739 /nfs/dbraw/zinc/66/37/39/1028663739.db2.gz XZMLCVXHUDFLRI-QZTJIDSGSA-N 1 0 361.486 2.749 20 5 FFBDRO C[NH+](C)C[C@@H](Nc1cc([N+](=O)[O-])cc[n+]1[O-])C12CC3CC(CC(C3)C1)C2 ZINC001162814491 1028668813 /nfs/dbraw/zinc/66/88/13/1028668813.db2.gz PLWPZPLCSZKLCY-MUGCCGGLSA-N 1 0 360.458 2.787 20 5 FFBDRO O=C(N[C@@H]1c2ccccc2CC[C@H]1[NH+]1CCCC1)c1cc([N+](=O)[O-])c[nH]1 ZINC001162881359 1028692931 /nfs/dbraw/zinc/69/29/31/1028692931.db2.gz WWDSTJVMLBOXJD-QZTJIDSGSA-N 1 0 354.410 2.805 20 5 FFBDRO O=[N+]([O-])c1cccc2cnc(NCC[C@H]3C[NH2+]Cc4cccn4C3)nc21 ZINC001163058317 1028780650 /nfs/dbraw/zinc/78/06/50/1028780650.db2.gz XYYPSHDJCCCSSZ-ZDUSSCGKSA-N 1 0 352.398 2.561 20 5 FFBDRO O=[N+]([O-])c1cc(F)cc(Br)c1NCC[C@H]1CCOC12C[NH2+]C2 ZINC001163088818 1028790208 /nfs/dbraw/zinc/79/02/08/1028790208.db2.gz HRZOMMLOKZEDBS-VIFPVBQESA-N 1 0 374.210 2.677 20 5 FFBDRO Cc1ccc(-c2ccc(N[C@@H]3CCO[C@]4(CC[NH2+]C4)C3)nn2)cc1[N+](=O)[O-] ZINC001155626191 1028822843 /nfs/dbraw/zinc/82/28/43/1028822843.db2.gz SATNEBQQPZGWDB-DNVCBOLYSA-N 1 0 369.425 2.683 20 5 FFBDRO C[NH+]1CC2(CN(C(=O)c3cc(=S)cc4[nH]c5ccccc5nc3-4)C2)C1 ZINC001155996735 1029005882 /nfs/dbraw/zinc/00/58/82/1029005882.db2.gz RUHQUZYRBNXKJL-UHFFFAOYSA-N 1 0 350.447 2.785 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(-n2c3ccccc3nc2C2CC[NH2+]CC2)c1 ZINC001163762347 1029053267 /nfs/dbraw/zinc/05/32/67/1029053267.db2.gz CJFITVZWYZVAID-UHFFFAOYSA-N 1 0 373.800 2.688 20 5 FFBDRO O=[N+]([O-])c1cnc(Cl)cc1-n1ccc2cc(N3CC[NH2+]CC3)ccc21 ZINC001156205879 1029089611 /nfs/dbraw/zinc/08/96/11/1029089611.db2.gz DIFJUDGEXSNWKB-UHFFFAOYSA-N 1 0 357.801 2.997 20 5 FFBDRO Cc1cc(C[NH3+])nn1-c1cc([N+](=O)[O-])cc2cc(Br)cnc21 ZINC001163986221 1029135121 /nfs/dbraw/zinc/13/51/21/1029135121.db2.gz XQTPUUMJVGHHOX-UHFFFAOYSA-N 1 0 362.187 2.858 20 5 FFBDRO Cc1c[n+]([O-])c(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc1[N+](=O)[O-] ZINC001164485327 1029293413 /nfs/dbraw/zinc/29/34/13/1029293413.db2.gz IJLQOCDLZVBTQD-RCCFBDPRSA-N 1 0 368.437 2.859 20 5 FFBDRO CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC001156675418 1029301210 /nfs/dbraw/zinc/30/12/10/1029301210.db2.gz IVMQXIZXNLRCGO-GOSISDBHSA-N 1 0 362.474 2.976 20 5 FFBDRO C[NH+](C)C[C@H]1CCCN1c1nc(C(F)(F)F)nc(Cl)c1[N+](=O)[O-] ZINC001165073629 1029362140 /nfs/dbraw/zinc/36/21/40/1029362140.db2.gz DFCQIRMQACRKLI-SSDOTTSWSA-N 1 0 353.732 2.587 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N2C[C@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)c1 ZINC001165089302 1029381194 /nfs/dbraw/zinc/38/11/94/1029381194.db2.gz TUBMRDFKGLAKAP-GDBMZVCRSA-N 1 0 374.828 2.592 20 5 FFBDRO CC[N@H+]([C@H]1CCOC1)C1CCN(c2ncnc3cc([N+](=O)[O-])ccc32)CC1 ZINC001165110185 1029396604 /nfs/dbraw/zinc/39/66/04/1029396604.db2.gz YPVHEGWFGHSSEP-INIZCTEOSA-N 1 0 371.441 2.618 20 5 FFBDRO CC[N@H+]([C@@H]1CCOC1)C1CCN(c2ncnc3cc([N+](=O)[O-])ccc32)CC1 ZINC001165110186 1029397199 /nfs/dbraw/zinc/39/71/99/1029397199.db2.gz YPVHEGWFGHSSEP-MRXNPFEDSA-N 1 0 371.441 2.618 20 5 FFBDRO CCOc1nc(N2CC3(C2)C[NH+](Cc2ccccc2)C3)ccc1[N+](=O)[O-] ZINC001165122962 1029406732 /nfs/dbraw/zinc/40/67/32/1029406732.db2.gz CMBHULPNWRMRQS-UHFFFAOYSA-N 1 0 354.410 2.711 20 5 FFBDRO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1N(C)c1ccc([N+](=O)[O-])c(N)n1 ZINC001165180454 1029435438 /nfs/dbraw/zinc/43/54/38/1029435438.db2.gz AXOVQHZQXBIURK-PBHICJAKSA-N 1 0 355.442 2.919 20 5 FFBDRO CN(C)/C=C/c1cc(N2CCC(C)([NH+]3CCCC3)CC2)ncc1[N+](=O)[O-] ZINC001157661214 1029640665 /nfs/dbraw/zinc/64/06/65/1029640665.db2.gz ZFJGCWGWQVVCGS-IZZDOVSWSA-N 1 0 359.474 2.977 20 5 FFBDRO CCC[NH+]1C[C@@H]2CN(c3cc4ncnc(Cl)c4cc3[N+](=O)[O-])C[C@H]2C1 ZINC001157689790 1029646017 /nfs/dbraw/zinc/64/60/17/1029646017.db2.gz JNOPTXXMPYLKPX-VXGBXAGGSA-N 1 0 361.833 2.969 20 5 FFBDRO CCC[N@H+]1C[C@H]2CN(C(F)(F)c3cnc(Cl)c([N+](=O)[O-])c3)C[C@H]2C1 ZINC001157691519 1029647115 /nfs/dbraw/zinc/64/71/15/1029647115.db2.gz XDXAHMGYPHMBOH-PHIMTYICSA-N 1 0 360.792 2.966 20 5 FFBDRO [NH3+][C@H]1CCc2nn(-c3ccc([N+](=O)[O-])c(-c4ccc(F)cc4)n3)cc2C1 ZINC001157987938 1029702866 /nfs/dbraw/zinc/70/28/66/1029702866.db2.gz SXZAGFUSVGYYNF-AWEZNQCLSA-N 1 0 353.357 2.798 20 5 FFBDRO Cc1cc(N2CCO[C@H](C[NH+]3CCCC3)C2)nc2ccc([N+](=O)[O-])cc12 ZINC001158303700 1029791231 /nfs/dbraw/zinc/79/12/31/1029791231.db2.gz ASVKELGOAQVTIL-MRXNPFEDSA-N 1 0 356.426 2.752 20 5 FFBDRO COc1ccnc(N(c2nc(C)cc(OC)c2[N+](=O)[O-])C2CC[NH2+]CC2)c1 ZINC001158320019 1029796673 /nfs/dbraw/zinc/79/66/73/1029796673.db2.gz CHNLFQORVXWEPG-UHFFFAOYSA-N 1 0 373.413 2.601 20 5 FFBDRO O=[N+]([O-])c1ccc2nc(N(c3ccncc3F)C3CC[NH2+]CC3)cnc2c1 ZINC001158333569 1029799802 /nfs/dbraw/zinc/79/98/02/1029799802.db2.gz GZANGTSGTSGBBH-UHFFFAOYSA-N 1 0 368.372 2.962 20 5 FFBDRO CC(C)N(c1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-])[C@@H](C)c1ccccc1 ZINC001158474101 1029836803 /nfs/dbraw/zinc/83/68/03/1029836803.db2.gz MSSHJOYLVIVZCZ-HNNXBMFYSA-N 1 0 370.457 2.770 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)nc1-c1ccc(F)cc1 ZINC001165293238 1029933273 /nfs/dbraw/zinc/93/32/73/1029933273.db2.gz VXTMQOMKXQENQO-RHSMWYFYSA-N 1 0 372.400 2.611 20 5 FFBDRO COc1cc2ncnc(N3CCCC[C@@H]3C3CC[NH2+]CC3)c2cc1[N+](=O)[O-] ZINC001165323716 1029946565 /nfs/dbraw/zinc/94/65/65/1029946565.db2.gz MNKJDSINAJDRJF-MRXNPFEDSA-N 1 0 371.441 2.905 20 5 FFBDRO Cc1cnc(-n2nc(-c3ccc(F)cc3)c3c2CC[NH2+]CC3)c([N+](=O)[O-])c1 ZINC001165823674 1030138993 /nfs/dbraw/zinc/13/89/93/1030138993.db2.gz ZKWXNLWMCHRIPX-UHFFFAOYSA-N 1 0 367.384 2.978 20 5 FFBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000841854467 1030504746 /nfs/dbraw/zinc/50/47/46/1030504746.db2.gz ABHUAOOVRQAIMP-QGZVFWFLSA-N 1 0 374.828 2.934 20 5 FFBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N(CC[NH3+])Cc1ccc(Cl)cc1Cl ZINC001166910367 1030572242 /nfs/dbraw/zinc/57/22/42/1030572242.db2.gz DDLNJMTWFFHQTC-UHFFFAOYSA-N 1 0 371.224 2.809 20 5 FFBDRO CC(C)C[N@@H+]1CCO[C@@H](COC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000842311358 1030679442 /nfs/dbraw/zinc/67/94/42/1030679442.db2.gz WFRCVURZEGBTNL-FGTMMUONSA-N 1 0 362.426 2.598 20 5 FFBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1C[C@H]([NH3+])Cc2ccccc21 ZINC000842480641 1030754612 /nfs/dbraw/zinc/75/46/12/1030754612.db2.gz WKJQNIQLVDBVPY-WCQYABFASA-N 1 0 374.828 2.965 20 5 FFBDRO C[N@H+](Cn1ncc2cc([N+](=O)[O-])ccc21)C[C@@]1(O)CCc2ccccc21 ZINC000842623976 1030847192 /nfs/dbraw/zinc/84/71/92/1030847192.db2.gz MCONMUJSPGEDSD-IBGZPJMESA-N 1 0 352.394 2.668 20 5 FFBDRO CC(C)NC(=O)OC[C@@H]1CCCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000796705371 1030886994 /nfs/dbraw/zinc/88/69/94/1030886994.db2.gz QBBRUMUXOCMLMG-HNNXBMFYSA-N 1 0 365.430 2.963 20 5 FFBDRO CC(C)[N@@H+]1CCC[C@H](COC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000842835093 1030986381 /nfs/dbraw/zinc/98/63/81/1030986381.db2.gz DEFWBKVDNMDNCP-AWEZNQCLSA-N 1 0 360.414 2.608 20 5 FFBDRO COC(=O)N1CCC(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000797093298 1030995501 /nfs/dbraw/zinc/99/55/01/1030995501.db2.gz GQKVRYNZPSMDKM-KRWDZBQOSA-N 1 0 361.442 2.984 20 5 FFBDRO C[C@@H]1C[N@H+](CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)[C@H](C)CO1 ZINC001204428993 1031283274 /nfs/dbraw/zinc/28/32/74/1031283274.db2.gz ACHVDOPFYSLIFO-IAGOWNOFSA-N 1 0 361.486 2.959 20 5 FFBDRO CC[NH+]1CCN(c2cc(N(C)C(=O)[C@H]3CC34CCC4)cc([N+](=O)[O-])c2)CC1 ZINC001535165391 1069737368 /nfs/dbraw/zinc/73/73/68/1069737368.db2.gz AEKVNCMMCDECIX-GOSISDBHSA-N 1 0 372.469 2.890 20 5 FFBDRO Nc1ccc2n(C(=O)[C@H]([NH3+])Cc3cccc(O)c3)c3ccccc3cc-2c1=O ZINC001219255836 1033575329 /nfs/dbraw/zinc/57/53/29/1033575329.db2.gz MBVOYDDQWORNLO-GOSISDBHSA-N 1 0 373.412 2.604 20 5 FFBDRO C[C@@H](CCNC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)[NH+]1CCCCC1 ZINC001138168594 1033897638 /nfs/dbraw/zinc/89/76/38/1033897638.db2.gz LDXBCFHSDTYQIH-AWEZNQCLSA-N 1 0 371.441 2.979 20 5 FFBDRO O=C(Nc1ccc(C[NH+]2CCC(O)CC2)cc1)c1cc([N+](=O)[O-])ccc1F ZINC000831424853 1034072277 /nfs/dbraw/zinc/07/22/77/1034072277.db2.gz QLPRJBWHIHFQCZ-UHFFFAOYSA-N 1 0 373.384 2.943 20 5 FFBDRO COCC[NH+]1CCC(Oc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC001225610479 1034334265 /nfs/dbraw/zinc/33/42/65/1034334265.db2.gz OWSROUGWBQOWRT-UHFFFAOYSA-N 1 0 359.220 2.847 20 5 FFBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@@H]2CC3(CC[C@@H]21)OCCO3 ZINC000832041535 1034511383 /nfs/dbraw/zinc/51/13/83/1034511383.db2.gz XXVHCDFAQKKCPY-CVEARBPZSA-N 1 0 362.426 2.981 20 5 FFBDRO NC(=O)c1cc([N+](=O)[O-])ccc1O[C@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC001226173493 1034558921 /nfs/dbraw/zinc/55/89/21/1034558921.db2.gz SWWDHBKRUPJCQQ-HNNXBMFYSA-N 1 0 373.384 2.876 20 5 FFBDRO CO[C@@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C12CCC2 ZINC000832208862 1034632196 /nfs/dbraw/zinc/63/21/96/1034632196.db2.gz DLDVAIHUFVGTLP-HZPDHXFCSA-N 1 0 365.405 2.952 20 5 FFBDRO CC(C)[NH+]1CCC(CCNC(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001221312768 1034669667 /nfs/dbraw/zinc/66/96/67/1034669667.db2.gz FMWLVHDONVUCSJ-UHFFFAOYSA-N 1 0 362.474 2.947 20 5 FFBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC1CCC(C)([NH+]2CCC2)CC1 ZINC000834803582 1035453079 /nfs/dbraw/zinc/45/30/79/1035453079.db2.gz BYJRATXLJYCLBX-UHFFFAOYSA-N 1 0 360.458 2.798 20 5 FFBDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001227502283 1035588966 /nfs/dbraw/zinc/58/89/66/1035588966.db2.gz ZPZCNWFDSPQTAZ-WDAIWFPHSA-N 1 0 366.330 2.520 20 5 FFBDRO O=[N+]([O-])c1c[n+]([O-])ccc1O[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001229455650 1036685342 /nfs/dbraw/zinc/68/53/42/1036685342.db2.gz KXPCFAAUCYWHRA-LZLYRXPVSA-N 1 0 355.394 2.518 20 5 FFBDRO C[C@H](C[N+](C)(C)C)Oc1ncc(I)c2cccnc21 ZINC001233882191 1036800993 /nfs/dbraw/zinc/80/09/93/1036800993.db2.gz BBGFJXLZRLMDAZ-SNVBAGLBSA-N 1 0 372.230 2.708 20 5 FFBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(Br)c(CN2CCOCC2)c1 ZINC001234264224 1036979931 /nfs/dbraw/zinc/97/99/31/1036979931.db2.gz KWKODULSIYWRQG-AWEZNQCLSA-N 1 0 372.327 2.755 20 5 FFBDRO C[C@@H](C[N+](C)(C)C)Oc1cc2c(cc1O)CC(=O)COc1cc(O)ccc1-2 ZINC001234810036 1037187249 /nfs/dbraw/zinc/18/72/49/1037187249.db2.gz GIKSCGMTBJCFLA-ZDUSSCGKSA-O 1 0 372.441 2.742 20 5 FFBDRO O=[N+]([O-])c1cccc([N+](=O)[O-])c1O[C@H]1CC[C@@H]([NH+]2CCOCC2)CC1 ZINC001230318810 1037217378 /nfs/dbraw/zinc/21/73/78/1037217378.db2.gz OCDBABMULVBQIR-BETUJISGSA-N 1 0 351.359 2.525 20 5 FFBDRO COc1cc(N2CCC([NH2+]CCc3cccnc3)CC2)ccc1[N+](=O)[O-] ZINC001256082182 1038367976 /nfs/dbraw/zinc/36/79/76/1038367976.db2.gz AIRJNDQVEOWJPQ-UHFFFAOYSA-N 1 0 356.426 2.800 20 5 FFBDRO COc1cc(N2CCC([NH2+][C@H]3CC[C@](C)(O)CC3)CC2)ccc1[N+](=O)[O-] ZINC001256084329 1038368269 /nfs/dbraw/zinc/36/82/69/1038368269.db2.gz ZPYWPFQAACAECH-QUWSVYMGSA-N 1 0 363.458 2.855 20 5 FFBDRO COc1cc(N2CCC([NH2+][C@H](C)c3cnn(C)c3)CC2)ccc1[N+](=O)[O-] ZINC001256087492 1038373224 /nfs/dbraw/zinc/37/32/24/1038373224.db2.gz CCBNXQFFTBKNMD-CYBMUJFWSA-N 1 0 359.430 2.657 20 5 FFBDRO CCN1CCC[N@@H+](C2CCN(c3ccc([N+](=O)[O-])c(OC)c3)CC2)CC1 ZINC001256095056 1038380492 /nfs/dbraw/zinc/38/04/92/1038380492.db2.gz WRALOMZNMMXMPO-UHFFFAOYSA-N 1 0 362.474 2.600 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1-c1nc2c(cccc2N2CC[NH+](C)CC2)[nH]1 ZINC001251579976 1039188451 /nfs/dbraw/zinc/18/84/51/1039188451.db2.gz QYNLVOUFQIDDPF-UHFFFAOYSA-N 1 0 367.409 2.899 20 5 FFBDRO C[C@H]1C[NH+](CCc2nnc(-c3cc(F)c([N+](=O)[O-])c(F)c3)o2)C[C@H](C)O1 ZINC001258146545 1039226907 /nfs/dbraw/zinc/22/69/07/1039226907.db2.gz OKSVCFOCAKGBPC-UWVGGRQHSA-N 1 0 368.340 2.575 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@@H](CCC[NH3+])C(=O)OC(C)(C)C ZINC001246206079 1039279863 /nfs/dbraw/zinc/27/98/63/1039279863.db2.gz CTWAOLFAFPIHTH-ZFWWWQNUSA-N 1 0 351.447 2.565 20 5 FFBDRO N[C@]1(C(F)(F)F)CC[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001246570371 1039401207 /nfs/dbraw/zinc/40/12/07/1039401207.db2.gz POZCQNXWQLIANF-OAHLLOKOSA-N 1 0 358.364 2.529 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CC[C@@H]3[NH2+]CCC[C@H]3C2)c1F ZINC001247006840 1039575698 /nfs/dbraw/zinc/57/56/98/1039575698.db2.gz AZBBGNLDDHBLJE-YDHLFZDLSA-N 1 0 351.422 2.747 20 5 FFBDRO CC(=O)N1CCN(c2cc[nH+]cc2Nc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC001210953270 1039845580 /nfs/dbraw/zinc/84/55/80/1039845580.db2.gz ZJDOANRPUPHWLS-UHFFFAOYSA-N 1 0 359.361 2.541 20 5 FFBDRO CC(C)Oc1cc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)ncn1 ZINC001254470767 1040736771 /nfs/dbraw/zinc/73/67/71/1040736771.db2.gz UDHNLQOHBUQEMI-UHFFFAOYSA-N 1 0 371.441 2.931 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H](CO)Cc3cccc(F)c3)CC2)cc1 ZINC001254469690 1040737649 /nfs/dbraw/zinc/73/76/49/1040737649.db2.gz WWSGCKDWWMTPGN-SFHVURJKSA-N 1 0 373.428 2.896 20 5 FFBDRO C[N@H+]([C@@H]1CCC2(C1)OCCO2)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254483999 1040750170 /nfs/dbraw/zinc/75/01/70/1040750170.db2.gz ZYPNRFMIMYXSLF-GOSISDBHSA-N 1 0 361.442 2.791 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1(CC2CC2)CCS(=O)(=O)CC1 ZINC001254548943 1040793175 /nfs/dbraw/zinc/79/31/75/1040793175.db2.gz OBAPDOBUECXXAC-CQSZACIVSA-N 1 0 366.483 2.863 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H]2CN(c3cccnc3)C(=O)[C@H]2C1 ZINC001254558495 1040797770 /nfs/dbraw/zinc/79/77/70/1040797770.db2.gz BWSVRNGVIQWKPU-HFTRVMKXSA-N 1 0 366.421 2.516 20 5 FFBDRO CCn1cc2c(n1)CN([C@@H](C)Cc1ccccc1[N+](=O)[O-])C[C@H]2COC ZINC001254563399 1040802229 /nfs/dbraw/zinc/80/22/29/1040802229.db2.gz ZTFBPUOIJFQFPR-HOCLYGCPSA-N 1 0 358.442 2.988 20 5 FFBDRO COc1cc(C)nc(O[C@@H]2CC[N@@H+]([C@H](C)Cc3ccccc3[N+](=O)[O-])C2)n1 ZINC001254568508 1040806015 /nfs/dbraw/zinc/80/60/15/1040806015.db2.gz GKHPSJPTXJXPQF-GDBMZVCRSA-N 1 0 372.425 2.786 20 5 FFBDRO CC(C)(C)OC(=O)N1C[C@@H](F)[C@H]([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254572075 1040807372 /nfs/dbraw/zinc/80/73/72/1040807372.db2.gz HWYVWQLSVNUGJY-FVQBIDKESA-N 1 0 365.405 2.609 20 5 FFBDRO CC(C)(C)OC(=O)N1C[C@@H](F)[C@@H]([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254572074 1040807428 /nfs/dbraw/zinc/80/74/28/1040807428.db2.gz HWYVWQLSVNUGJY-BMFZPTHFSA-N 1 0 365.405 2.609 20 5 FFBDRO O=C(C1CCC1)N1CCC(C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254580041 1040812772 /nfs/dbraw/zinc/81/27/72/1040812772.db2.gz ACKABQDAEXLZOW-GOSISDBHSA-N 1 0 357.454 2.690 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]C1(Cc3ccncc3)CCOCC1)C2 ZINC001254587677 1040818624 /nfs/dbraw/zinc/81/86/24/1040818624.db2.gz YWUBVVSMHZXTAA-SFHVURJKSA-N 1 0 353.422 2.839 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]CC1(c3ccc(F)cn3)CCOCC1)C2 ZINC001254586497 1040818917 /nfs/dbraw/zinc/81/89/17/1040818917.db2.gz KLEQFUKQIMGIDX-QGZVFWFLSA-N 1 0 371.412 2.934 20 5 FFBDRO COc1ccccc1CN1CC[C@H]([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254586920 1040818935 /nfs/dbraw/zinc/81/89/35/1040818935.db2.gz TWNOMADXDZFETG-RBUKOAKNSA-N 1 0 367.449 2.935 20 5 FFBDRO CN(C)C(=O)c1ccc(CC[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC001254590841 1040819574 /nfs/dbraw/zinc/81/95/74/1040819574.db2.gz ZLBUOCWNHCENGV-GOSISDBHSA-N 1 0 353.422 2.596 20 5 FFBDRO CC(C)(C)OC(=O)NC12CC([NH2+][C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)(C1)C2 ZINC001254589825 1040819851 /nfs/dbraw/zinc/81/98/51/1040819851.db2.gz RRHYSNMUCKNODW-FTXHTYHOSA-N 1 0 359.426 2.851 20 5 FFBDRO O=C(c1ccco1)N1CC[C@H]2C[N@@H+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@H]21 ZINC001254593812 1040823085 /nfs/dbraw/zinc/82/30/85/1040823085.db2.gz BXHITUKTUOBVOP-BMGDILEWSA-N 1 0 367.405 2.502 20 5 FFBDRO CC(C)(C)OC(=O)NC[C@H]1CC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254601375 1040832334 /nfs/dbraw/zinc/83/23/34/1040832334.db2.gz YZEYEOSWEWKRCV-DYVFJYSZSA-N 1 0 361.442 2.909 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H](n1c3ccccc3nc1N1CC[NH2+]CC1)C2 ZINC001254608917 1040837545 /nfs/dbraw/zinc/83/75/45/1040837545.db2.gz TZVBZGUHXGJPRJ-KRWDZBQOSA-N 1 0 363.421 2.694 20 5 FFBDRO CC(C)N1CCC2(CC[NH+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC2)C1=O ZINC001254610331 1040838686 /nfs/dbraw/zinc/83/86/86/1040838686.db2.gz JPWKAGLFOJANKX-SFHVURJKSA-N 1 0 357.454 2.785 20 5 FFBDRO Cc1nccnc1O[C@@H]1CCC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254611805 1040841609 /nfs/dbraw/zinc/84/16/09/1040841609.db2.gz TUQCUNWPNNYOSK-ZWKOTPCHSA-N 1 0 354.410 2.704 20 5 FFBDRO Cc1nccnc1O[C@H]1CCC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254611802 1040842356 /nfs/dbraw/zinc/84/23/56/1040842356.db2.gz TUQCUNWPNNYOSK-ROUUACIJSA-N 1 0 354.410 2.704 20 5 FFBDRO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cc([N+](=O)[O-])ccc3N3CCCCC3)[C@H]2C1 ZINC001538046059 1070324583 /nfs/dbraw/zinc/32/45/83/1070324583.db2.gz GUMXWPGOKJRZEV-WBAXXEDZSA-N 1 0 372.469 2.655 20 5 FFBDRO O=C(c1ccccc1)N1CCC[C@@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001261436301 1041236145 /nfs/dbraw/zinc/23/61/45/1041236145.db2.gz XPTWITOZLATARZ-IEBWSBKVSA-N 1 0 369.421 2.523 20 5 FFBDRO CC[C@@]1(C(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[NH2+]C1 ZINC001261451676 1041245068 /nfs/dbraw/zinc/24/50/68/1041245068.db2.gz DADMYPVCDVZPNL-OAHLLOKOSA-N 1 0 374.363 2.531 20 5 FFBDRO C[NH+](C)[C@@H]1CCCC[C@H]1Nc1ccc([N+](=O)[O-])c(N2CCOCC2)c1F ZINC001261558691 1041307698 /nfs/dbraw/zinc/30/76/98/1041307698.db2.gz OHMMZPZGBLZFEM-UKRRQHHQSA-N 1 0 366.437 2.855 20 5 FFBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+]3CCCC[C@H]23)c(F)c1N1CCOCC1 ZINC001262678647 1041789423 /nfs/dbraw/zinc/78/94/23/1041789423.db2.gz IXWLTGOIKHIGFF-DZGCQCFKSA-N 1 0 364.421 2.609 20 5 FFBDRO Cn1c(-c2ccc([N+](=O)[O-])o2)nnc1N1CCC(C)([NH+]2CCCCC2)CC1 ZINC001262863447 1041910875 /nfs/dbraw/zinc/91/08/75/1041910875.db2.gz FOAVIMBJJFLBNX-UHFFFAOYSA-N 1 0 374.445 2.828 20 5 FFBDRO Cc1cc(-c2nc(-c3ccc4c(n3)CC[NH2+]C4)no2)c([N+](=O)[O-])cc1C ZINC001216944110 1042168306 /nfs/dbraw/zinc/16/83/06/1042168306.db2.gz HXGOJRVKGPLLKC-UHFFFAOYSA-N 1 0 351.366 2.969 20 5 FFBDRO O=C(NC[C@]12CCC[C@H]1[NH2+]CC2)c1ccc([N+](=O)[O-])cc1Br ZINC001263207302 1042173301 /nfs/dbraw/zinc/17/33/01/1042173301.db2.gz YYUSFAGNAJWACW-UKRRQHHQSA-N 1 0 368.231 2.619 20 5 FFBDRO CC[N@@H+]1CCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCC1 ZINC001313895000 1044439929 /nfs/dbraw/zinc/43/99/29/1044439929.db2.gz FOTAKDIFAHZPED-KRWDZBQOSA-N 1 0 370.457 2.938 20 5 FFBDRO CC[NH+](CC)C1CCN(CCOc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC001318792168 1044879670 /nfs/dbraw/zinc/87/96/70/1044879670.db2.gz MVMXVMHXDLDAJN-UHFFFAOYSA-N 1 0 351.447 2.788 20 5 FFBDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001319335427 1045114388 /nfs/dbraw/zinc/11/43/88/1045114388.db2.gz CYJIAMOYOBEYEO-OAHLLOKOSA-N 1 0 360.458 2.988 20 5 FFBDRO O=C1C[C@H]([N@@H+]2CC[C@@H]3CCCC[C@H]3C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC001318012021 1045191334 /nfs/dbraw/zinc/19/13/34/1045191334.db2.gz AEBIYFKNEGHRDO-ZQIUZPCESA-N 1 0 357.410 2.739 20 5 FFBDRO C[N@@H+]1CC[C@H](NC(=O)NCc2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(F)cc1 ZINC001319572175 1045199262 /nfs/dbraw/zinc/19/92/62/1045199262.db2.gz LQPYDBACRGDYRR-WMZOPIPTSA-N 1 0 372.400 2.979 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccccc1N1CC[NH+](C)CC1 ZINC001318261517 1045255955 /nfs/dbraw/zinc/25/59/55/1045255955.db2.gz IYBYUEIEHCGMMY-UHFFFAOYSA-N 1 0 368.437 2.585 20 5 FFBDRO COc1ccc(C[C@H](C)[N@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC001322221606 1046001610 /nfs/dbraw/zinc/00/16/10/1046001610.db2.gz HJAFDULSYLSOLF-MAUKXSAKSA-N 1 0 374.437 2.906 20 5 FFBDRO CC[NH+](CC)Cc1ccc(-c2nnc(CCn3cc([N+](=O)[O-])cn3)o2)o1 ZINC001322843130 1046245044 /nfs/dbraw/zinc/24/50/44/1046245044.db2.gz RXSGDCCIGJDHMI-UHFFFAOYSA-N 1 0 360.374 2.519 20 5 FFBDRO Cc1cc(NC[C@@H](O)c2cccc([N+](=O)[O-])c2)ccc1N1CC[NH+](C)CC1 ZINC001325856082 1046663391 /nfs/dbraw/zinc/66/33/91/1046663391.db2.gz XIVBZKZDYRYDDD-HXUWFJFHSA-N 1 0 370.453 2.801 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]Cc1cccc(Cl)c1F ZINC001326154972 1046789491 /nfs/dbraw/zinc/78/94/91/1046789491.db2.gz BAKPAVGUILVHMA-GFCCVEGCSA-N 1 0 354.765 2.917 20 5 FFBDRO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC001331382379 1047903931 /nfs/dbraw/zinc/90/39/31/1047903931.db2.gz QFDRSMJIMVFEDV-ZIAGYGMSSA-N 1 0 372.347 2.650 20 5 FFBDRO COc1cccc([C@@H]2C[NH2+]CCN2C(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC001331388866 1047908433 /nfs/dbraw/zinc/90/84/33/1047908433.db2.gz SAGTYFHWIQBSPI-SFHVURJKSA-N 1 0 355.394 2.699 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCCC[C@@H]2[NH+](C)C)cc1SC ZINC001327545294 1047941520 /nfs/dbraw/zinc/94/15/20/1047941520.db2.gz XOJAGQVAHHFOEL-STQMWFEESA-N 1 0 367.471 2.928 20 5 FFBDRO CN1CCOC[C@H]1C[NH2+]Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001331520333 1047983165 /nfs/dbraw/zinc/98/31/65/1047983165.db2.gz KRNKEEXLFJEQJH-CYBMUJFWSA-N 1 0 365.817 2.928 20 5 FFBDRO Cc1ccc(C2=NO[C@H](C[NH2+]C3CC(n4cc([N+](=O)[O-])cn4)C3)C2)cc1 ZINC001332022296 1048214536 /nfs/dbraw/zinc/21/45/36/1048214536.db2.gz WJCIYDFGAQABAX-DQPZFDDXSA-N 1 0 355.398 2.586 20 5 FFBDRO O=[N+]([O-])c1cc(CO)c(N2CC[NH+](CC3CCCCC3)CC2)cc1F ZINC001306947163 1048602805 /nfs/dbraw/zinc/60/28/05/1048602805.db2.gz PPTIGFQGBJXQPI-UHFFFAOYSA-N 1 0 351.422 2.929 20 5 FFBDRO O=C(C1C[NH+](C2CCCCC2)C1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001540849865 1071021734 /nfs/dbraw/zinc/02/17/34/1071021734.db2.gz BBYXCNRODBXCHP-UHFFFAOYSA-N 1 0 372.469 2.508 20 5 FFBDRO COC[C@](C)(CO)[NH2+]Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001330319226 1049131277 /nfs/dbraw/zinc/13/12/77/1049131277.db2.gz PQUNPUZBBXZIDO-INIZCTEOSA-N 1 0 354.790 2.995 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(c3ncc(Br)cc3[N+](=O)[O-])C[C@H]2C1 ZINC001333826315 1049133684 /nfs/dbraw/zinc/13/36/84/1049133684.db2.gz LZSLTNGTDBFBRD-NQBHXWOUSA-N 1 0 369.263 2.919 20 5 FFBDRO C[NH+](C)CCN(Cc1ccccn1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001334076677 1049234397 /nfs/dbraw/zinc/23/43/97/1049234397.db2.gz VXMCBWFTSOSLIU-UHFFFAOYSA-N 1 0 361.377 2.725 20 5 FFBDRO CC[NH+](CC)CCN(CCOC)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001334076016 1049234645 /nfs/dbraw/zinc/23/46/45/1049234645.db2.gz KKRHLOWNOMNOKS-UHFFFAOYSA-N 1 0 356.398 2.556 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)NCCc3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC001334216185 1049316053 /nfs/dbraw/zinc/31/60/53/1049316053.db2.gz XBRJCJVZJMEHDH-YESZJQIVSA-N 1 0 360.458 2.509 20 5 FFBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@]2(CCN(c3ccncc3[N+](=O)[O-])C2)O1 ZINC001330829253 1049350754 /nfs/dbraw/zinc/35/07/54/1049350754.db2.gz JRXKTHHIRXNDMR-JXFKEZNVSA-N 1 0 368.437 2.860 20 5 FFBDRO COc1ccc([C@H]2C[NH2+]CCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC001330937555 1049402643 /nfs/dbraw/zinc/40/26/43/1049402643.db2.gz KQHRBLOGDNCNCE-GOSISDBHSA-N 1 0 355.394 2.699 20 5 FFBDRO CCC1([NH3+])CCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC001330960537 1049412963 /nfs/dbraw/zinc/41/29/63/1049412963.db2.gz HVPMXAOYMUYFSN-UHFFFAOYSA-N 1 0 360.458 2.541 20 5 FFBDRO O=C(N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC001341576715 1050203878 /nfs/dbraw/zinc/20/38/78/1050203878.db2.gz WUUYXDNIHHLHES-LPHOPBHVSA-N 1 0 353.378 2.581 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@]3(C2)CCCC[NH2+]3)cc1SC ZINC001341979804 1050577154 /nfs/dbraw/zinc/57/71/54/1050577154.db2.gz BIWBPTRPTIKYDB-KRWDZBQOSA-N 1 0 365.455 2.684 20 5 FFBDRO O=C([C@@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001340181539 1050587847 /nfs/dbraw/zinc/58/78/47/1050587847.db2.gz AWQYQLNIEKAZEQ-MNEFBYGVSA-N 1 0 372.469 2.554 20 5 FFBDRO Cc1cccc(C[N@@H+]2CC[C@@H](NC(=O)Cc3cccc([N+](=O)[O-])c3)C2)c1 ZINC001301781737 1050980637 /nfs/dbraw/zinc/98/06/37/1050980637.db2.gz GYXDKEMSWCEWRH-GOSISDBHSA-N 1 0 353.422 2.836 20 5 FFBDRO C[C@@H]1CN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C[C@H]1CC[NH3+] ZINC001342448081 1051045768 /nfs/dbraw/zinc/04/57/68/1051045768.db2.gz FRPGOXUQLLRQBU-HZPDHXFCSA-N 1 0 363.461 2.598 20 5 FFBDRO CCNc1ccc(C(=O)N2CCC(c3cncn3C)CC2)cc1[N+](=O)[O-] ZINC001341096304 1051443304 /nfs/dbraw/zinc/44/33/04/1051443304.db2.gz UYWKXSBWONSAMU-UHFFFAOYSA-N 1 0 357.414 2.780 20 5 FFBDRO C[C@@H]1[NH2+]C[C@H](C)N(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)[C@H]1C ZINC001344845486 1052059005 /nfs/dbraw/zinc/05/90/05/1052059005.db2.gz BRDAWFRTFDLBLL-JYJNAYRXSA-N 1 0 363.461 2.752 20 5 FFBDRO Cc1cc(NC(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC001344875643 1052091593 /nfs/dbraw/zinc/09/15/93/1052091593.db2.gz MUWIVLIFMUONSA-AWEZNQCLSA-N 1 0 350.419 2.526 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(c3ccc([N+](=O)[O-])cc3C(=O)NC3CC3)C[C@@H]2C1 ZINC001343305941 1052150905 /nfs/dbraw/zinc/15/09/05/1052150905.db2.gz MINIHGHEXDKELO-IJEWVQPXSA-N 1 0 372.469 2.654 20 5 FFBDRO [NH3+]CC[C@@H]1Cc2ccccc2N(C(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC001345194189 1052312450 /nfs/dbraw/zinc/31/24/50/1052312450.db2.gz YYHKVIHLNFFHJT-CQSZACIVSA-N 1 0 355.394 2.528 20 5 FFBDRO CN(C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001343574803 1052314540 /nfs/dbraw/zinc/31/45/40/1052314540.db2.gz KVBIXEXNDWRJCW-VQFNDLOPSA-N 1 0 353.378 2.677 20 5 FFBDRO CNC(=O)CC[C@H]1CCCC[N@@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001307748385 1052344489 /nfs/dbraw/zinc/34/44/89/1052344489.db2.gz ORGJUKLHIMCHGV-CYBMUJFWSA-N 1 0 373.413 2.526 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(Cc2nc([C@H]3C[C@H]3C)no2)CC1 ZINC001307907541 1052365427 /nfs/dbraw/zinc/36/54/27/1052365427.db2.gz LNODCXIUDUUNCR-DOMZBBRYSA-N 1 0 374.445 2.561 20 5 FFBDRO O=C(CCN1CCC[C@H]1c1ncccn1)Nc1cc([N+](=O)[O-])ccc1F ZINC001307947536 1052370346 /nfs/dbraw/zinc/37/03/46/1052370346.db2.gz UWBKFVJPEZOQJF-HNNXBMFYSA-N 1 0 359.361 2.690 20 5 FFBDRO O=[N+]([O-])c1cccc(OCCN2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccccc2)c1 ZINC001307967718 1052372556 /nfs/dbraw/zinc/37/25/56/1052372556.db2.gz KMSRYDQPSIOPCT-OALUTQOASA-N 1 0 353.422 2.932 20 5 FFBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCc2[nH+]ccc(N)c2C1 ZINC001308017076 1052384554 /nfs/dbraw/zinc/38/45/54/1052384554.db2.gz RLKXQUBCVGEGSZ-LLVKDONJSA-N 1 0 366.381 2.741 20 5 FFBDRO CCc1ccc2c(c1)CC[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C2 ZINC001308170966 1052425261 /nfs/dbraw/zinc/42/52/61/1052425261.db2.gz PULAEWXNDSQTOH-SFHVURJKSA-N 1 0 356.422 2.955 20 5 FFBDRO CN(C)c1ccc(F)cc1C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001308573894 1052472202 /nfs/dbraw/zinc/47/22/02/1052472202.db2.gz PCUWLVUVGRJNLV-OAHLLOKOSA-N 1 0 359.405 2.881 20 5 FFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2C[C@H](S(=O)(=O)c3ccccc3)C2)cc1 ZINC001308905605 1052516899 /nfs/dbraw/zinc/51/68/99/1052516899.db2.gz KDPDFFSKNZMLQE-RZDIXWSQSA-N 1 0 360.435 2.732 20 5 FFBDRO O=[N+]([O-])c1ccc(C(F)(F)F)cc1N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC001346068362 1052731580 /nfs/dbraw/zinc/73/15/80/1052731580.db2.gz MPDVNYXPZIHNJX-STQMWFEESA-N 1 0 359.348 2.649 20 5 FFBDRO COC/C(C)=C/C[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC001335786918 1053564890 /nfs/dbraw/zinc/56/48/90/1053564890.db2.gz SWYICBCMUWTPMN-MKMNVTDBSA-N 1 0 359.430 2.576 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)nccc2N1CCC([NH2+]C2CCOCC2)CC1 ZINC001337541965 1054830100 /nfs/dbraw/zinc/83/01/00/1054830100.db2.gz YNTQACAHKXNGOF-UHFFFAOYSA-N 1 0 356.426 2.880 20 5 FFBDRO O=C(NC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001337865987 1055069853 /nfs/dbraw/zinc/06/98/53/1055069853.db2.gz KGRMCTWWNJPJGZ-RTBURBONSA-N 1 0 366.421 2.879 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)C[C@H]2C1 ZINC001352168048 1055238154 /nfs/dbraw/zinc/23/81/54/1055238154.db2.gz BSKKWMIRUVMCEZ-FVQBIDKESA-N 1 0 370.453 2.807 20 5 FFBDRO Cc1c(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000847253263 1055321027 /nfs/dbraw/zinc/32/10/27/1055321027.db2.gz ABGUWEGCRWYPIG-CABCVRRESA-N 1 0 362.386 2.558 20 5 FFBDRO O=[N+]([O-])c1ccc(C(F)(F)F)cc1N1CCC([NH+]2CCOCC2)CC1 ZINC001338384220 1055465052 /nfs/dbraw/zinc/46/50/52/1055465052.db2.gz SRUWTZQSHQJBGL-UHFFFAOYSA-N 1 0 359.348 2.915 20 5 FFBDRO CCn1c([C@H](C)[N+](=O)[O-])nnc1N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC001356350446 1055466599 /nfs/dbraw/zinc/46/65/99/1055466599.db2.gz BFNVHVUSRNNGTH-CABCVRRESA-N 1 0 358.446 2.519 20 5 FFBDRO CCn1c([C@H](C)[N+](=O)[O-])nnc1N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001356351150 1055468082 /nfs/dbraw/zinc/46/80/82/1055468082.db2.gz IOHXSDSUZVOODC-RDJZCZTQSA-N 1 0 372.473 2.594 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]Cc2cccc(N3CC=CC3)c2)c1 ZINC001356532480 1055559603 /nfs/dbraw/zinc/55/96/03/1055559603.db2.gz KTBWJWNDHLFBBN-LJQANCHMSA-N 1 0 369.421 2.501 20 5 FFBDRO Cn1c(Sc2ncc([N+](=O)[O-])c3ccccc32)nnc1[C@@H]1CCC[NH2+]C1 ZINC001349980778 1055568757 /nfs/dbraw/zinc/56/87/57/1055568757.db2.gz RKYSPLBZCVBGHW-LLVKDONJSA-N 1 0 370.438 2.890 20 5 FFBDRO O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001338554835 1055619685 /nfs/dbraw/zinc/61/96/85/1055619685.db2.gz MHUWYYJQAHWOSW-MRXNPFEDSA-N 1 0 361.445 2.992 20 5 FFBDRO CC[N@@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)C1 ZINC001350442084 1055777344 /nfs/dbraw/zinc/77/73/44/1055777344.db2.gz XMXATXKMMQCCJG-CQSZACIVSA-N 1 0 366.437 2.714 20 5 FFBDRO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC001338826426 1055850825 /nfs/dbraw/zinc/85/08/25/1055850825.db2.gz XOVFUJMEBCLNIR-QWHCGFSZSA-N 1 0 370.247 2.960 20 5 FFBDRO CN1CCC([N@@H+]2CC[C@H](Nc3ncc([N+](=O)[O-])c4ccccc43)C2)CC1 ZINC001353245319 1056224652 /nfs/dbraw/zinc/22/46/52/1056224652.db2.gz LBTHZCOGCUYLSZ-AWEZNQCLSA-N 1 0 355.442 2.723 20 5 FFBDRO CCC(O)(CC)C(C)(C)[NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC001473736909 1056484032 /nfs/dbraw/zinc/48/40/32/1056484032.db2.gz NIYIEXLKQMXCEK-UHFFFAOYSA-N 1 0 365.430 2.812 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849483720 1056869261 /nfs/dbraw/zinc/86/92/61/1056869261.db2.gz IVHVJYKGVKESEK-HOTGVXAUSA-N 1 0 371.441 2.619 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N(C)c2ccc(OCC[NH+](C)C)cc2)n1 ZINC001443914449 1058255228 /nfs/dbraw/zinc/25/52/28/1058255228.db2.gz XVCAUCFCKISQKT-UHFFFAOYSA-N 1 0 358.398 2.515 20 5 FFBDRO C[N@H+](CCc1cccc(NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)c1)C1CC1 ZINC001446972929 1058579315 /nfs/dbraw/zinc/57/93/15/1058579315.db2.gz LBHGJCDBEIEJFX-LJQANCHMSA-N 1 0 369.421 2.904 20 5 FFBDRO C[N@H+](CCC1CCCC1)Cc1ccccc1CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001501663072 1058697659 /nfs/dbraw/zinc/69/76/59/1058697659.db2.gz LUQWAWUQNMEWGH-RTBURBONSA-N 1 0 359.470 2.980 20 5 FFBDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC001453390892 1059363055 /nfs/dbraw/zinc/36/30/55/1059363055.db2.gz PFVYLSJLFDTJGY-SNVBAGLBSA-N 1 0 372.828 2.820 20 5 FFBDRO C[N@@H+]1CCCC[C@H](CNC(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)C1 ZINC001453494855 1059376004 /nfs/dbraw/zinc/37/60/04/1059376004.db2.gz SFYKGWCPIIQBHF-CYBMUJFWSA-N 1 0 356.426 2.792 20 5 FFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC001454633563 1059590129 /nfs/dbraw/zinc/59/01/29/1059590129.db2.gz KFDDQRVMLJCEMH-ZBFHGGJFSA-N 1 0 368.437 2.675 20 5 FFBDRO O=[N+]([O-])c1cc2ccccc2nc1N1CC[NH2+][C@H](c2ccc(O)cc2)C1 ZINC001472867700 1059603764 /nfs/dbraw/zinc/60/37/64/1059603764.db2.gz KPOQCHINMAIPOH-KRWDZBQOSA-N 1 0 350.378 3.000 20 5 FFBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H]2CC[NH+]2CCC(C)CC2)n1 ZINC001454753303 1059624521 /nfs/dbraw/zinc/62/45/21/1059624521.db2.gz VUYBBBVMHZYSPI-HNNXBMFYSA-N 1 0 363.462 2.538 20 5 FFBDRO CCC[N@H+](C)C[C@@H]1CCN(CN2CC[C@H](c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000848481051 1060112002 /nfs/dbraw/zinc/11/20/02/1060112002.db2.gz VQNAJGRWCPLDFI-QFBILLFUSA-N 1 0 374.485 2.532 20 5 FFBDRO O=C1[C@@H](c2ccc([N+](=O)[O-])cc2)CCN1C[N@@H+]1CCC[C@]2(CCCOC2)C1 ZINC000848480976 1060113831 /nfs/dbraw/zinc/11/38/31/1060113831.db2.gz UALIWOPKIRWZHV-QUCCMNQESA-N 1 0 373.453 2.761 20 5 FFBDRO CC(C)[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001457091747 1060273796 /nfs/dbraw/zinc/27/37/96/1060273796.db2.gz ZOVWMKGFIARFCA-PBHICJAKSA-N 1 0 371.441 2.806 20 5 FFBDRO CC[NH+](CC)CCOc1cccc(NC(=O)c2ccnc(N)c2[N+](=O)[O-])c1 ZINC001457144068 1060288572 /nfs/dbraw/zinc/28/85/72/1060288572.db2.gz AXKARWVLEOGAEH-UHFFFAOYSA-N 1 0 373.413 2.545 20 5 FFBDRO O=C(NC1CC[NH+](C2CCC2)CC1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848591368 1060322153 /nfs/dbraw/zinc/32/21/53/1060322153.db2.gz LBMZEJNKKYZPAR-UHFFFAOYSA-N 1 0 369.368 2.700 20 5 FFBDRO CSc1ccc(C(=O)OC[C@@H]2CC[N@@H+]2C2CCOCC2)cc1[N+](=O)[O-] ZINC001517120650 1060355934 /nfs/dbraw/zinc/35/59/34/1060355934.db2.gz CARUZYRFCFZMDE-AWEZNQCLSA-N 1 0 366.439 2.727 20 5 FFBDRO O=C(NC[C@@H]1[NH2+]CCc2ccccc21)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001521540950 1060949316 /nfs/dbraw/zinc/94/93/16/1060949316.db2.gz OEQYXNJAIWSOPD-QYZOEREBSA-N 1 0 351.406 2.702 20 5 FFBDRO O=[N+]([O-])c1ccc(CN2CCCN(c3cc[nH+]cc3)CC2)c([N+](=O)[O-])c1 ZINC001460302843 1060950298 /nfs/dbraw/zinc/95/02/98/1060950298.db2.gz CSXGBFWHFQFPMQ-UHFFFAOYSA-N 1 0 357.370 2.610 20 5 FFBDRO O=C1[C@@H]([N@@H+]2CCC[C@@H](C3CCOCC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC001460834748 1061120851 /nfs/dbraw/zinc/12/08/51/1061120851.db2.gz NNBYRLLFUFTTAV-APWZRJJASA-N 1 0 373.453 2.839 20 5 FFBDRO [NH3+]CCN(Cc1c(F)cncc1Br)c1ccc([N+](=O)[O-])cc1 ZINC001462189297 1061532305 /nfs/dbraw/zinc/53/23/05/1061532305.db2.gz GOAODCLXQCTUAP-UHFFFAOYSA-N 1 0 369.194 2.857 20 5 FFBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)N[C@@H]3C=CCCC3)c2)CC1 ZINC001477130995 1061594504 /nfs/dbraw/zinc/59/45/04/1061594504.db2.gz ZAEPJOSLUXNFQA-CQSZACIVSA-N 1 0 359.430 2.577 20 5 FFBDRO C[C@H](NC(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-])C1CCC1 ZINC001477130228 1061594964 /nfs/dbraw/zinc/59/49/64/1061594964.db2.gz HVVTVIQKKFJSJO-ZDUSSCGKSA-N 1 0 361.446 2.657 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)n1 ZINC001359847698 1061809901 /nfs/dbraw/zinc/80/99/01/1061809901.db2.gz SSJCUZROMMBFOV-UHFFFAOYSA-N 1 0 360.389 2.641 20 5 FFBDRO C[C@H](Cn1c(C2CC2)nnc1N(C)CCc1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC001360554459 1061984331 /nfs/dbraw/zinc/98/43/31/1061984331.db2.gz JJZQYWPKZAPYSF-CQSZACIVSA-N 1 0 372.473 2.693 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001463269465 1062023898 /nfs/dbraw/zinc/02/38/98/1062023898.db2.gz DZZCVMSASMLNFP-VNHYZAJKSA-N 1 0 369.487 2.548 20 5 FFBDRO CC[NH+](CC)[C@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1C)CC(C)C ZINC001463307984 1062042566 /nfs/dbraw/zinc/04/25/66/1062042566.db2.gz KZGOLOOGRARGRG-HNNXBMFYSA-N 1 0 371.503 2.938 20 5 FFBDRO CC[N@H+](C)[C@H]1CCN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC001478578286 1062055656 /nfs/dbraw/zinc/05/56/56/1062055656.db2.gz SPVKNCDXXVPRQV-ZDUSSCGKSA-N 1 0 374.363 2.849 20 5 FFBDRO O=C(N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc([N+](=O)[O-])s1 ZINC001523536536 1062509660 /nfs/dbraw/zinc/50/96/60/1062509660.db2.gz BYZGQLKZBXRCEO-SJCJKPOMSA-N 1 0 359.407 2.642 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@@H](c2ccco2)N2CCCCC2)n1 ZINC001523663843 1062568498 /nfs/dbraw/zinc/56/84/98/1062568498.db2.gz XJPDDKNELGDKAZ-INIZCTEOSA-N 1 0 358.398 2.848 20 5 FFBDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC001440641128 1063323562 /nfs/dbraw/zinc/32/35/62/1063323562.db2.gz XENHDISBRMYEOO-SNVBAGLBSA-N 1 0 372.828 2.964 20 5 FFBDRO C[C@H]1C[NH+](CCCNC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC001440828718 1063361165 /nfs/dbraw/zinc/36/11/65/1063361165.db2.gz RSUPPUWNVUCVIW-QWRGUYRKSA-N 1 0 373.812 2.616 20 5 FFBDRO CC(C)(CNC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)C[NH+]1CCCC1 ZINC001467698240 1063823620 /nfs/dbraw/zinc/82/36/20/1063823620.db2.gz OHUPKIDAQPRRAJ-UHFFFAOYSA-N 1 0 371.441 2.837 20 5 FFBDRO CC1(C)CCC[N@@H+]1CCNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC001468936156 1064060892 /nfs/dbraw/zinc/06/08/92/1064060892.db2.gz MUCOIXTXLFSXJV-UHFFFAOYSA-N 1 0 358.801 2.574 20 5 FFBDRO COC(=O)CC[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001473767812 1065352334 /nfs/dbraw/zinc/35/23/34/1065352334.db2.gz NDQYNFRSGCODTP-ZIAGYGMSSA-N 1 0 363.414 2.587 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+][C@H](c2ccccn2)C2CC2)cc1[N+](=O)[O-] ZINC001474276916 1065483269 /nfs/dbraw/zinc/48/32/69/1065483269.db2.gz QFMBXYIIZNYKBC-IBGZPJMESA-N 1 0 371.393 2.783 20 5 FFBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@@H]1C[NH2+]CCC12CCC2 ZINC001578485629 1078479787 /nfs/dbraw/zinc/47/97/87/1078479787.db2.gz MTTBIXKDGUTAGM-AWEZNQCLSA-N 1 0 351.834 2.986 20 5 FFBDRO COc1cccc2c1CC[C@]2([NH3+])C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001579291939 1078611207 /nfs/dbraw/zinc/61/12/07/1078611207.db2.gz UTVQGFPROVQIBU-CWTRNNRKSA-N 1 0 355.394 2.581 20 5 FFBDRO Cc1ccc(CNC(=O)[C@H]([NH3+])Cc2c[nH]c3ccccc23)cc1[N+](=O)[O-] ZINC001579696464 1078664161 /nfs/dbraw/zinc/66/41/61/1078664161.db2.gz OFHSBJUMOOTUHZ-MRXNPFEDSA-N 1 0 352.394 2.571 20 5 FFBDRO [NH3+]C1CC2(C1)CC(NC(=O)N1CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C1)C2 ZINC001580164762 1078758616 /nfs/dbraw/zinc/75/86/16/1078758616.db2.gz JMBVBANKLZMYBJ-XYLATYTLSA-N 1 0 358.442 2.754 20 5 FFBDRO [NH3+]C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1Br)C1CCCC1 ZINC001580227942 1078769613 /nfs/dbraw/zinc/76/96/13/1078769613.db2.gz HWLDHIJHKBHIAF-NSHDSACASA-N 1 0 356.220 2.605 20 5 FFBDRO [NH3+]C[C@]12CC[C@@H]1CCCN2C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001580249501 1078774044 /nfs/dbraw/zinc/77/40/44/1078774044.db2.gz AHCDKQNNUQKBHB-ZUZCIYMTSA-N 1 0 357.332 2.957 20 5 FFBDRO [NH3+]Cc1ccc(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 ZINC001580337049 1078787790 /nfs/dbraw/zinc/78/77/90/1078787790.db2.gz FYZCKMDFCVPQMA-UHFFFAOYSA-N 1 0 351.765 2.705 20 5 FFBDRO [NH3+]CC[C@@H]1Cc2ccccc2N(C(=O)Cc2cccc(F)c2[N+](=O)[O-])C1 ZINC001580288860 1078781929 /nfs/dbraw/zinc/78/19/29/1078781929.db2.gz CEENAJGQAIHNBL-CYBMUJFWSA-N 1 0 357.385 2.831 20 5 FFBDRO O=C(Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001580765885 1078856024 /nfs/dbraw/zinc/85/60/24/1078856024.db2.gz YYVQMEYUSAAHGX-OTWHNJEPSA-N 1 0 367.405 2.998 20 5 FFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC001556098830 1075700395 /nfs/dbraw/zinc/70/03/95/1075700395.db2.gz ZLXFLOFEBDPKCL-RDTXWAMCSA-N 1 0 371.412 2.913 20 5 FFBDRO C[NH+](C)[C@@H]1C[C@H](NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1(C)C ZINC001557155789 1075816260 /nfs/dbraw/zinc/81/62/60/1075816260.db2.gz OVUJEZIUJVDFRE-LSDHHAIUSA-N 1 0 369.849 2.862 20 5 FFBDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC001557487223 1075854617 /nfs/dbraw/zinc/85/46/17/1075854617.db2.gz MQMJPPYKRDADEF-AWEZNQCLSA-N 1 0 351.422 2.903 20 5 FFBDRO Nc1nc(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001559300480 1076147938 /nfs/dbraw/zinc/14/79/38/1076147938.db2.gz RQBLICGGBFDYLZ-OWCLPIDISA-N 1 0 368.441 2.680 20 5 FFBDRO C[C@@H]1CC[N@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)[C@H]1CO ZINC001559753924 1076187795 /nfs/dbraw/zinc/18/77/95/1076187795.db2.gz XUPROBMXIIYKKT-RNCFNFMXSA-N 1 0 352.778 2.501 20 5 FFBDRO O=C(CC[NH2+][C@@H](CO)c1ccc(F)cc1F)Nc1ccccc1[N+](=O)[O-] ZINC001560019460 1076214379 /nfs/dbraw/zinc/21/43/79/1076214379.db2.gz AMYMYDHSEUQKSJ-HNNXBMFYSA-N 1 0 365.336 2.525 20 5 FFBDRO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CCc1ccc2c(c1)OCO2 ZINC001560147963 1076236158 /nfs/dbraw/zinc/23/61/58/1076236158.db2.gz FOUDWEYGJJZXNU-UHFFFAOYSA-N 1 0 371.393 2.827 20 5 FFBDRO Cc1cc(C)c(S(=O)(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC001561474305 1076381452 /nfs/dbraw/zinc/38/14/52/1076381452.db2.gz ATOXSZNSVCBZEX-SWLSCSKDSA-N 1 0 369.487 2.610 20 5 FFBDRO CN(CCC[NH+](C)C)CCNC(=O)Nc1ccc([N+](=O)[O-])c2ccccc12 ZINC001563396521 1076550416 /nfs/dbraw/zinc/55/04/16/1076550416.db2.gz AGNIETRCCTZUOH-UHFFFAOYSA-N 1 0 373.457 2.753 20 5 FFBDRO CCO[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])c2ccccc12)C[NH+](C)C ZINC001563396737 1076550464 /nfs/dbraw/zinc/55/04/64/1076550464.db2.gz HWQRHXXOPIRXAR-CYBMUJFWSA-N 1 0 360.414 2.836 20 5 FFBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC001568640292 1077104459 /nfs/dbraw/zinc/10/44/59/1077104459.db2.gz CEOJGGFRUHLPLY-LLVKDONJSA-N 1 0 372.828 2.820 20 5 FFBDRO C[NH+]1C[C@@]2(C)CN(C(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)C[C@]2(C)C1 ZINC001586215145 1079576431 /nfs/dbraw/zinc/57/64/31/1079576431.db2.gz URBQPJXJKKEKFC-OALUTQOASA-N 1 0 358.442 2.583 20 5 FFBDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC001586420035 1079624287 /nfs/dbraw/zinc/62/42/87/1079624287.db2.gz CTYKYVLHBBELSR-ZDUSSCGKSA-N 1 0 353.850 2.981 20 5 FFBDRO C[C@]1(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C[NH+]2CCC1CC2 ZINC001587066827 1079730597 /nfs/dbraw/zinc/73/05/97/1079730597.db2.gz CMSHPAUSXFNABG-HNNXBMFYSA-N 1 0 357.332 2.828 20 5 FFBDRO CC(C)([NH2+]Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])c1cccc(F)c1 ZINC001589321611 1080481857 /nfs/dbraw/zinc/48/18/57/1080481857.db2.gz GRQFRBQCEISUHP-UHFFFAOYSA-N 1 0 356.361 2.939 20 5 FFBDRO CC(C)[N@H+](CCc1nccs1)Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001589695790 1080674074 /nfs/dbraw/zinc/67/40/74/1080674074.db2.gz VYRLIIXAKJGRCK-UHFFFAOYSA-N 1 0 373.442 2.685 20 5 FFBDRO C[C@H](CNc1cc(-c2nn[nH]n2)sc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC001589876086 1080823583 /nfs/dbraw/zinc/82/35/83/1080823583.db2.gz NSNMLOZCANJMOS-LLVKDONJSA-N 1 0 373.442 2.769 20 5 FFBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC001590227452 1081108681 /nfs/dbraw/zinc/10/86/81/1081108681.db2.gz OZFFPCNJZRFHMY-GUTXKFCHSA-N 1 0 371.445 2.617 20 5 FFBDRO C[C@@H]1CCCC[N@@H+]1CCCNc1cc(-c2nn[nH]n2)sc1[N+](=O)[O-] ZINC001590259550 1081129032 /nfs/dbraw/zinc/12/90/32/1081129032.db2.gz KSIFCPGQJDHDES-SNVBAGLBSA-N 1 0 351.436 2.513 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)NCCC2CC[NH+](C)CC2)cc1SC ZINC000103079250 250135156 /nfs/dbraw/zinc/13/51/56/250135156.db2.gz MIQXLFUZFVEGGU-UHFFFAOYSA-N 1 0 367.471 2.787 20 5 FFBDRO C[NH+](C)CCCOc1ccc(CNC(=O)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000103127120 250137124 /nfs/dbraw/zinc/13/71/24/250137124.db2.gz WPLFQLBDIHSFSU-UHFFFAOYSA-N 1 0 371.437 2.784 20 5 FFBDRO O=C(NC1CC1)[C@@H]1CCC[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000104666873 250182846 /nfs/dbraw/zinc/18/28/46/250182846.db2.gz IOWAFPNVIPOARJ-INIZCTEOSA-N 1 0 370.409 2.535 20 5 FFBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000153334683 251125326 /nfs/dbraw/zinc/12/53/26/251125326.db2.gz MUWAPVRAXUHACS-NVXWUHKLSA-N 1 0 373.453 2.839 20 5 FFBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1 ZINC000272401409 252029779 /nfs/dbraw/zinc/02/97/79/252029779.db2.gz VHRQUNXBDCUDPU-CYBMUJFWSA-N 1 0 355.385 2.877 20 5 FFBDRO COc1cc(CNC[C@H](C)[N@H+](C)C2CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272525881 252059709 /nfs/dbraw/zinc/05/97/09/252059709.db2.gz YYCZLQYCIOPSSV-NSHDSACASA-N 1 0 373.400 2.820 20 5 FFBDRO Cn1ccnc1[C@@H](NC1CC[NH+](CC2CC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000272537748 252063484 /nfs/dbraw/zinc/06/34/84/252063484.db2.gz OHEOHSARTHXRBB-IBGZPJMESA-N 1 0 369.469 2.882 20 5 FFBDRO Cn1ccnc1[C@H](N[C@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000272564006 252069056 /nfs/dbraw/zinc/06/90/56/252069056.db2.gz UQNWXNLBPVUSOZ-CGTJXYLNSA-N 1 0 357.458 2.880 20 5 FFBDRO C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)C1=CC[N@H+](C)CC1 ZINC000272761519 252124048 /nfs/dbraw/zinc/12/40/48/252124048.db2.gz PRIKZBUKPXMEKQ-SNVBAGLBSA-N 1 0 355.341 2.576 20 5 FFBDRO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)C1=CC[N@H+](C)CC1 ZINC000272958179 252175192 /nfs/dbraw/zinc/17/51/92/252175192.db2.gz NGDHFRPWNVUNNM-SNVBAGLBSA-N 1 0 368.231 2.738 20 5 FFBDRO C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)C1=CC[N@H+](C)CC1 ZINC000273007127 252189915 /nfs/dbraw/zinc/18/99/15/252189915.db2.gz RVPCVIVXTHVHMW-OAHLLOKOSA-N 1 0 372.469 2.965 20 5 FFBDRO C[C@@]1([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCO[C@@H]1C1CC1 ZINC000273090946 252213539 /nfs/dbraw/zinc/21/35/39/252213539.db2.gz SPBSTJDUYVGYTK-HZPDHXFCSA-N 1 0 353.806 2.734 20 5 FFBDRO O=[N+]([O-])c1cnc(N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)nc1 ZINC000274044787 255827348 /nfs/dbraw/zinc/82/73/48/255827348.db2.gz YDLIHYLRKMPFIM-SJLPKXTDSA-N 1 0 353.426 2.876 20 5 FFBDRO CCCN(CCC[NH+](C)C)C(=O)c1cc(OC)c(OCC)cc1[N+](=O)[O-] ZINC000276353470 256092626 /nfs/dbraw/zinc/09/26/26/256092626.db2.gz KWHKJULIOPXTAZ-UHFFFAOYSA-N 1 0 367.446 2.806 20 5 FFBDRO Cc1cc(C)c(S(=O)(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000277051949 256156216 /nfs/dbraw/zinc/15/62/16/256156216.db2.gz LYFMXYJYDWDNJB-CQSZACIVSA-N 1 0 369.487 2.562 20 5 FFBDRO O=C1OCCN1c1cc([N+](=O)[O-])ccc1NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000277463562 256200467 /nfs/dbraw/zinc/20/04/67/256200467.db2.gz PINSLCZPNNCFBT-HNNXBMFYSA-N 1 0 360.414 2.980 20 5 FFBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000277282342 256180030 /nfs/dbraw/zinc/18/00/30/256180030.db2.gz NOOFKRNQAUJISO-LLVKDONJSA-N 1 0 357.357 2.753 20 5 FFBDRO Cc1cc(N(C)Cc2ncnn2CC(F)F)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000278672179 256336761 /nfs/dbraw/zinc/33/67/61/256336761.db2.gz CPGRIEFVFIHVLO-UHFFFAOYSA-N 1 0 362.340 2.944 20 5 FFBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000285794697 257005343 /nfs/dbraw/zinc/00/53/43/257005343.db2.gz MMFNXPVPKOMXPR-CZUORRHYSA-N 1 0 356.426 2.704 20 5 FFBDRO CS(=O)(=O)C1(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000279720319 256444398 /nfs/dbraw/zinc/44/43/98/256444398.db2.gz UOBBOWYRYHWPTM-UHFFFAOYSA-N 1 0 366.464 2.990 20 5 FFBDRO CC[NH+](CC)CCCCNC(=O)CCOc1cc(C)ccc1[N+](=O)[O-] ZINC000281582626 256644611 /nfs/dbraw/zinc/64/46/11/256644611.db2.gz NCFHXHVJUMCKRE-UHFFFAOYSA-N 1 0 351.447 2.910 20 5 FFBDRO CC[NH+]1CCC(CCNC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000282711651 256779660 /nfs/dbraw/zinc/77/96/60/256779660.db2.gz KAGGLLXRMACGAN-UHFFFAOYSA-N 1 0 362.474 2.901 20 5 FFBDRO C[C@@H]([NH2+]C[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284885106 256957018 /nfs/dbraw/zinc/95/70/18/256957018.db2.gz BOCSVYCNBOODTQ-GDBMZVCRSA-N 1 0 368.437 2.876 20 5 FFBDRO COC(=O)c1cc(C)nc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000286128377 257021720 /nfs/dbraw/zinc/02/17/20/257021720.db2.gz HEGXLIJKCVKZAG-CZUORRHYSA-N 1 0 374.441 2.538 20 5 FFBDRO CN(c1ccc([N+](=O)[O-])cc1N1CCOC1=O)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000286236860 257027059 /nfs/dbraw/zinc/02/70/59/257027059.db2.gz CZYSMGWQCWUNCS-NNQSOWQGSA-N 1 0 360.414 2.613 20 5 FFBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000286896235 257060566 /nfs/dbraw/zinc/06/05/66/257060566.db2.gz LLISFIILXVLSJY-CZUORRHYSA-N 1 0 357.414 2.703 20 5 FFBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000287029082 257067728 /nfs/dbraw/zinc/06/77/28/257067728.db2.gz SFUJGLLBHZIENR-BBRMVZONSA-N 1 0 357.414 2.703 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)c1 ZINC000287037616 257068287 /nfs/dbraw/zinc/06/82/87/257068287.db2.gz ISQUOLMQKSSYEW-HZPDHXFCSA-N 1 0 361.442 2.757 20 5 FFBDRO COC(=O)c1cc(C)nc(N2CCC[C@H]([NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC000287145224 257074303 /nfs/dbraw/zinc/07/43/03/257074303.db2.gz DYNNACJOKRLVCT-AWEZNQCLSA-N 1 0 362.430 2.540 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)cc1SC ZINC000289309966 257273637 /nfs/dbraw/zinc/27/36/37/257273637.db2.gz SYFYDACKXOAXQG-KRWDZBQOSA-N 1 0 365.455 2.541 20 5 FFBDRO Cc1cccnc1OC1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000289392293 257278591 /nfs/dbraw/zinc/27/85/91/257278591.db2.gz MSLNXIJTYMMQRF-GOSISDBHSA-N 1 0 357.410 2.875 20 5 FFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCCN3c4ccccc4C[C@@H]3C2)c1 ZINC000289403846 257279293 /nfs/dbraw/zinc/27/92/93/257279293.db2.gz GDZWVQIKPIXANS-QUCCMNQESA-N 1 0 353.422 2.765 20 5 FFBDRO COCCN(CC[NH+](C)C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000289434913 257280868 /nfs/dbraw/zinc/28/08/68/257280868.db2.gz LFPIQFKTVKTQET-UHFFFAOYSA-N 1 0 364.471 2.728 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCc2occc2C1 ZINC000288977326 257243202 /nfs/dbraw/zinc/24/32/02/257243202.db2.gz ZEBOKZXRLITGEQ-UHFFFAOYSA-N 1 0 359.382 2.973 20 5 FFBDRO Cc1ccc([C@H](C)[NH2+]C[C@](C)(O)CNC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000289661479 257292571 /nfs/dbraw/zinc/29/25/71/257292571.db2.gz XYNLPGFVSHXGSL-UGSOOPFHSA-N 1 0 367.446 2.830 20 5 FFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCCn2cc(CO)nn2)s1 ZINC000289730933 257295924 /nfs/dbraw/zinc/29/59/24/257295924.db2.gz GFXIRDRTDNPQIM-UHFFFAOYSA-N 1 0 373.438 2.587 20 5 FFBDRO COc1cc(C[NH2+]C[C@]2(CO)C[C@H]2c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000289785415 257298915 /nfs/dbraw/zinc/29/89/15/257298915.db2.gz JUWRLOVZRDFBOU-JXFKEZNVSA-N 1 0 372.421 2.868 20 5 FFBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1cc(OC)c(OCC)cc1[N+](=O)[O-] ZINC000290201644 257320008 /nfs/dbraw/zinc/32/00/08/257320008.db2.gz NSFOJSFPIDJNAH-ZDUSSCGKSA-N 1 0 367.446 2.852 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)C[N@H+](C)C(C)C)cc1SC ZINC000290943412 257366567 /nfs/dbraw/zinc/36/65/67/257366567.db2.gz OWMVOLVGGODHPK-LLVKDONJSA-N 1 0 355.460 2.784 20 5 FFBDRO CN(CCC[NH+]1CCCC1)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000296337305 257696477 /nfs/dbraw/zinc/69/64/77/257696477.db2.gz VERRPIXYXMBMBR-UHFFFAOYSA-N 1 0 357.414 2.543 20 5 FFBDRO [NH3+][C@@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC[C@H]1c1ccc(F)cc1 ZINC000297223488 257802886 /nfs/dbraw/zinc/80/28/86/257802886.db2.gz OFGNETCAQFEEQA-ZWKOTPCHSA-N 1 0 357.385 2.620 20 5 FFBDRO Cc1cc(N[C@H](C)C[NH+]2CCN(c3ccccn3)CC2)ccc1[N+](=O)[O-] ZINC000301265281 258038572 /nfs/dbraw/zinc/03/85/72/258038572.db2.gz FCPAYMXDQVJWHA-MRXNPFEDSA-N 1 0 355.442 2.921 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@]1(C)CCCO ZINC000299646485 258013463 /nfs/dbraw/zinc/01/34/63/258013463.db2.gz KSPVYYGIHBNWNO-GOSISDBHSA-N 1 0 365.430 2.559 20 5 FFBDRO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)C1CCCCC1 ZINC000302669675 258107471 /nfs/dbraw/zinc/10/74/71/258107471.db2.gz QYPXBEDPCKNYBK-INIZCTEOSA-N 1 0 369.487 2.921 20 5 FFBDRO Cc1c(CO)cc([N+](=O)[O-])c(N[C@H]2CCC[C@@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000301598897 258058001 /nfs/dbraw/zinc/05/80/01/258058001.db2.gz UFPHJTBMEWOSAP-QWHCGFSZSA-N 1 0 352.391 2.588 20 5 FFBDRO C[NH+](C)CCN1CCC(Nc2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000301652843 258061425 /nfs/dbraw/zinc/06/14/25/258061425.db2.gz GVSXAVRDTICODK-UHFFFAOYSA-N 1 0 371.279 2.795 20 5 FFBDRO COc1cc(F)c([N+](=O)[O-])c(NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c1 ZINC000301712951 258064469 /nfs/dbraw/zinc/06/44/69/258064469.db2.gz VUJKLFGDFBRZOW-SJORKVTESA-N 1 0 367.421 2.922 20 5 FFBDRO Cc1cc(N2CC[C@H](C[NH+]3CCOCC3)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000301988384 258080419 /nfs/dbraw/zinc/08/04/19/258080419.db2.gz DUBCQXHLWJLISL-OAHLLOKOSA-N 1 0 356.426 2.610 20 5 FFBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1C[NH+](C)C ZINC000330476740 258164412 /nfs/dbraw/zinc/16/44/12/258164412.db2.gz VIONGYOTUMZPNA-NSHDSACASA-N 1 0 370.247 2.832 20 5 FFBDRO C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000330783051 258170642 /nfs/dbraw/zinc/17/06/42/258170642.db2.gz HRWUWZBYUGSXLM-PWSUYJOCSA-N 1 0 357.357 2.751 20 5 FFBDRO CS[C@@H]1CN(C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)C[C@H]1[NH+](C)C ZINC000331079780 258176950 /nfs/dbraw/zinc/17/69/50/258176950.db2.gz YKMPXSKXLUWNON-HUUCEWRRSA-N 1 0 352.460 2.721 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)cc1SC ZINC000331138720 258178257 /nfs/dbraw/zinc/17/82/57/258178257.db2.gz LIRNKPLSSZTQDK-CQSZACIVSA-N 1 0 367.471 2.738 20 5 FFBDRO CC(C)CN(C(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000331210519 258179744 /nfs/dbraw/zinc/17/97/44/258179744.db2.gz HUZGXMMEMPWKBJ-UHFFFAOYSA-N 1 0 351.451 2.634 20 5 FFBDRO CC(C)N(C(=O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)C1CCCC1 ZINC000331377821 258183827 /nfs/dbraw/zinc/18/38/27/258183827.db2.gz CZEHWPZCRJUAOO-UHFFFAOYSA-N 1 0 363.462 2.608 20 5 FFBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CC1 ZINC000332249551 258221489 /nfs/dbraw/zinc/22/14/89/258221489.db2.gz XTVXLGYFSXORQN-GFCCVEGCSA-N 1 0 357.357 2.753 20 5 FFBDRO CC[N@@H+]1CCCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000332262037 258222006 /nfs/dbraw/zinc/22/20/06/258222006.db2.gz DTRZMIWVQSIOTM-UHFFFAOYSA-N 1 0 357.863 2.895 20 5 FFBDRO Cn1c(=O)c2ccc([N+](=O)[O-])cc2nc1SCC[C@H]1CCCC[N@@H+]1C ZINC000332502240 258232409 /nfs/dbraw/zinc/23/24/09/258232409.db2.gz RMBMFBMNUKWQCM-GFCCVEGCSA-N 1 0 362.455 2.808 20 5 FFBDRO Cn1cc(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c(C(F)(F)F)n1 ZINC000331687424 258196458 /nfs/dbraw/zinc/19/64/58/258196458.db2.gz XUSOVZSJPYUTOF-NWDGAFQWSA-N 1 0 372.351 2.817 20 5 FFBDRO CN(C(=O)c1ccc(Br)c([N+](=O)[O-])c1)[C@@H]1CCC[N@H+](C)C1 ZINC000053245456 506342004 /nfs/dbraw/zinc/34/20/04/506342004.db2.gz YABRTVCBZSCUJG-LLVKDONJSA-N 1 0 356.220 2.524 20 5 FFBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000065791802 506366974 /nfs/dbraw/zinc/36/69/74/506366974.db2.gz OCPMFHINRRNKLB-KBPBESRZSA-N 1 0 369.487 2.556 20 5 FFBDRO C[C@H](C(=O)NCC1CCCCC1)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373237369 512235215 /nfs/dbraw/zinc/23/52/15/512235215.db2.gz QHHXZSKQOJDKGE-CQSZACIVSA-N 1 0 363.462 2.513 20 5 FFBDRO CN1CC[NH+](CC2(C)CCN(Cc3ccc([N+](=O)[O-])c(F)c3)CC2)CC1 ZINC000366976467 512278212 /nfs/dbraw/zinc/27/82/12/512278212.db2.gz ORYWRQRDYKQSMZ-UHFFFAOYSA-N 1 0 364.465 2.583 20 5 FFBDRO COc1cccc([C@@H](CNC(=O)c2ccc(C)c([N+](=O)[O-])c2)[NH+](C)C)c1 ZINC000010018171 506723194 /nfs/dbraw/zinc/72/31/94/506723194.db2.gz IQCJAJSEXPWNJE-GOSISDBHSA-N 1 0 357.410 2.945 20 5 FFBDRO CNC(=O)c1cccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000056196329 506960242 /nfs/dbraw/zinc/96/02/42/506960242.db2.gz CLYWQBLBRKUQOG-CHWSQXEVSA-N 1 0 370.409 2.632 20 5 FFBDRO O=C(CNc1ccccc1[N+](=O)[O-])NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000067705951 506982962 /nfs/dbraw/zinc/98/29/62/506982962.db2.gz MMYNCRWIJZBRGO-LJQANCHMSA-N 1 0 368.437 2.960 20 5 FFBDRO NC(=O)c1ccc(NC[C@H](c2ccccc2)[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000015129238 507022194 /nfs/dbraw/zinc/02/21/94/507022194.db2.gz KINJKQMLJWPPJR-GOSISDBHSA-N 1 0 354.410 2.943 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000045948328 507050085 /nfs/dbraw/zinc/05/00/85/507050085.db2.gz OSDWFBGASOZICW-STQMWFEESA-N 1 0 350.419 2.988 20 5 FFBDRO Cc1c(C(=O)NCc2cccc(OCC[NH+](C)C)c2)cccc1[N+](=O)[O-] ZINC000056890461 507116313 /nfs/dbraw/zinc/11/63/13/507116313.db2.gz IAAGXKPGRMTAQF-UHFFFAOYSA-N 1 0 357.410 2.774 20 5 FFBDRO CC[NH+]1CCC(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000068265795 507167555 /nfs/dbraw/zinc/16/75/55/507167555.db2.gz XOJLNWVIBOOULY-LLVKDONJSA-N 1 0 355.822 2.616 20 5 FFBDRO C[N@H+](CCCN1C(=O)c2ccccc2C1=O)Cc1cccc([N+](=O)[O-])c1 ZINC000046783320 507194434 /nfs/dbraw/zinc/19/44/34/507194434.db2.gz YZKQISPRIFCNSN-UHFFFAOYSA-N 1 0 353.378 2.713 20 5 FFBDRO CCOc1cc(C(=O)NCC[N@@H+]2CCCC[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000046859891 507211066 /nfs/dbraw/zinc/21/10/66/507211066.db2.gz XODXREMPIKAWDL-CYBMUJFWSA-N 1 0 365.430 2.606 20 5 FFBDRO C[C@H](CC[NH+](C)C)NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000068469391 507242771 /nfs/dbraw/zinc/24/27/71/507242771.db2.gz PLEUDULBCIZEMG-SNVBAGLBSA-N 1 0 363.336 2.606 20 5 FFBDRO C[C@@H](CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)[N@H+](C)C1CC1 ZINC000057705537 507311187 /nfs/dbraw/zinc/31/11/87/507311187.db2.gz SOBMHICBXORJHT-NSHDSACASA-N 1 0 360.439 2.931 20 5 FFBDRO O=C(C[N@H+](C[C@H]1CCOC1)C1CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000047405769 507323790 /nfs/dbraw/zinc/32/37/90/507323790.db2.gz XUJWXRVYMVLHNB-LLVKDONJSA-N 1 0 353.806 2.688 20 5 FFBDRO O=C(NCC1CC[NH+](Cc2ccncc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000023015709 507324519 /nfs/dbraw/zinc/32/45/19/507324519.db2.gz XYGNBGSFRYOXBR-UHFFFAOYSA-N 1 0 354.410 2.632 20 5 FFBDRO C[NH+](C)[C@H](CNC(=O)COc1cccc([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000047427206 507328025 /nfs/dbraw/zinc/32/80/25/507328025.db2.gz HYXHZVBANRQTIF-QGZVFWFLSA-N 1 0 361.373 2.532 20 5 FFBDRO CC(C)[N@@H+]1CCCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000068800673 507328780 /nfs/dbraw/zinc/32/87/80/507328780.db2.gz UBCBIIMWMOMTTC-UHFFFAOYSA-N 1 0 374.485 2.754 20 5 FFBDRO C[NH+](C)C(C)(C)CNc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000023990948 507383290 /nfs/dbraw/zinc/38/32/90/507383290.db2.gz PAEWMLKWNCLWIB-UHFFFAOYSA-N 1 0 369.365 2.640 20 5 FFBDRO C[NH+](C)C(C)(C)CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000047838852 507399123 /nfs/dbraw/zinc/39/91/23/507399123.db2.gz WMSQUZBZKOZVCO-UHFFFAOYSA-N 1 0 363.336 2.606 20 5 FFBDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000048397389 507516623 /nfs/dbraw/zinc/51/66/23/507516623.db2.gz DKUACNYGDJLVOY-OAHLLOKOSA-N 1 0 371.441 2.775 20 5 FFBDRO NC(=O)c1ccc(C[NH+]2CCC([C@@H](O)c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000026119976 507558449 /nfs/dbraw/zinc/55/84/49/507558449.db2.gz PIGFKSPDOFJBKQ-IBGZPJMESA-N 1 0 369.421 2.639 20 5 FFBDRO CCOc1ccc(C(=O)NCc2ccccc2C[NH+](C)C)cc1[N+](=O)[O-] ZINC000061232739 507604759 /nfs/dbraw/zinc/60/47/59/507604759.db2.gz DFQISRMCUARSQW-UHFFFAOYSA-N 1 0 357.410 2.985 20 5 FFBDRO Cc1ccccc1C[N@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])cn2C)CC1 ZINC000027389341 507653592 /nfs/dbraw/zinc/65/35/92/507653592.db2.gz IQCNVMXEOLOIOU-UHFFFAOYSA-N 1 0 356.426 2.590 20 5 FFBDRO COc1ccc(C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000027592118 507670575 /nfs/dbraw/zinc/67/05/75/507670575.db2.gz HYNUIHNENDZVCH-MRXNPFEDSA-N 1 0 361.373 2.775 20 5 FFBDRO COc1ccc(C[NH+]2CCC(CNc3c([N+](=O)[O-])c(C)nn3C)CC2)cc1 ZINC000063282498 507711231 /nfs/dbraw/zinc/71/12/31/507711231.db2.gz GZKUTABKEAZJEX-UHFFFAOYSA-N 1 0 373.457 2.969 20 5 FFBDRO Cc1sc(C(=O)N2CCC(CC[NH+]3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000064333588 507790978 /nfs/dbraw/zinc/79/09/78/507790978.db2.gz PBLPLVLFSGQEJG-UHFFFAOYSA-N 1 0 367.471 2.539 20 5 FFBDRO CC[NH+](CC)[C@@H]1CCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000072835296 507860170 /nfs/dbraw/zinc/86/01/70/507860170.db2.gz OHKGCMMAEZZDCX-GXTWGEPZSA-N 1 0 368.865 2.991 20 5 FFBDRO CC[N@@H+]1CC[C@@H](CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000107891513 507872912 /nfs/dbraw/zinc/87/29/12/507872912.db2.gz STIAYMQLRSDGTE-INIZCTEOSA-N 1 0 363.461 2.613 20 5 FFBDRO CN(CCCN1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000090092300 507908190 /nfs/dbraw/zinc/90/81/90/507908190.db2.gz SDEROKAAMUBDKM-UHFFFAOYSA-N 1 0 369.469 2.731 20 5 FFBDRO CCC[C@@H]([NH2+][C@@H]1CCN(c2cc(C)nn2C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000090121636 507909828 /nfs/dbraw/zinc/90/98/28/507909828.db2.gz WFTJEOFSUDQTFJ-IAGOWNOFSA-N 1 0 371.441 2.873 20 5 FFBDRO COC[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1cccc(C(F)(F)F)c1 ZINC000090538182 507926114 /nfs/dbraw/zinc/92/61/14/507926114.db2.gz AEOPIOAQBUOVEA-AWEZNQCLSA-N 1 0 358.320 2.787 20 5 FFBDRO CC[N@H+](C)Cc1cccc(CNC(=O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000109010369 507932290 /nfs/dbraw/zinc/93/22/90/507932290.db2.gz NDVMJQUAMQPPRD-UHFFFAOYSA-N 1 0 357.410 2.742 20 5 FFBDRO Cc1c(NC(=O)CC[N@@H+]2CCCN(CC(F)F)CC2)cccc1[N+](=O)[O-] ZINC000091083369 507952979 /nfs/dbraw/zinc/95/29/79/507952979.db2.gz QNVGHTHPXYRGAK-UHFFFAOYSA-N 1 0 370.400 2.505 20 5 FFBDRO CCC[NH+]1CCC(N(C)CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000109786668 507987419 /nfs/dbraw/zinc/98/74/19/507987419.db2.gz PCGYJWOESZSRST-UHFFFAOYSA-N 1 0 368.865 2.993 20 5 FFBDRO O=C(NCCC[NH+]1CCCCC1)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000091475922 507988818 /nfs/dbraw/zinc/98/88/18/507988818.db2.gz HDPAXQPWPBIJLR-UHFFFAOYSA-N 1 0 374.485 2.803 20 5 FFBDRO CC[NH+](CC)C[C@H](C)NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000079895799 508012228 /nfs/dbraw/zinc/01/22/28/508012228.db2.gz VVVHCMUWVJGIKX-JTQLQIEISA-N 1 0 358.236 2.817 20 5 FFBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)NC[C@@H]3CC[N@H+](C)C3)cc2[N+](=O)[O-])C1 ZINC000110652048 508039774 /nfs/dbraw/zinc/03/97/74/508039774.db2.gz KQLWXKXSDWELGB-XHSDSOJGSA-N 1 0 374.485 2.759 20 5 FFBDRO CC(C)[NH+](CCCNC(=O)NCCc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000074857981 508063200 /nfs/dbraw/zinc/06/32/00/508063200.db2.gz XGAICRJMHQSFFW-UHFFFAOYSA-N 1 0 350.463 2.945 20 5 FFBDRO CNC(=O)[C@H]1CCC[N@H+](Cc2cc(=O)oc3ccc4ccccc4c23)C1 ZINC000111269098 508084161 /nfs/dbraw/zinc/08/41/61/508084161.db2.gz OODQFMMFFSAGCZ-HNNXBMFYSA-N 1 0 350.418 2.904 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CC[C@H](C[NH+]3CCOCC3)C2)cc1C(F)(F)F ZINC000080650622 508091091 /nfs/dbraw/zinc/09/10/91/508091091.db2.gz AERQLCBSTNGWQJ-GFCCVEGCSA-N 1 0 359.348 2.772 20 5 FFBDRO C[C@H](CNC(=O)NCCc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1ccccc1 ZINC000111475320 508102861 /nfs/dbraw/zinc/10/28/61/508102861.db2.gz LKCKBEAGPDCACX-MRXNPFEDSA-N 1 0 370.453 2.957 20 5 FFBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccccc1OCC(=O)NC ZINC000075819319 508135368 /nfs/dbraw/zinc/13/53/68/508135368.db2.gz UNNSAVJFKROHPV-QGZVFWFLSA-N 1 0 357.410 2.961 20 5 FFBDRO Cc1ccc([C@@H]2CCC[C@H]2[N@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000075886705 508140397 /nfs/dbraw/zinc/14/03/97/508140397.db2.gz VBPIHOAOPHWRNW-GBESFXJTSA-N 1 0 358.442 2.729 20 5 FFBDRO Cn1cc(C[C@H]2CC[N@H+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)C2)cn1 ZINC000093870631 508157727 /nfs/dbraw/zinc/15/77/27/508157727.db2.gz PLRITPUOJKYHKL-GFCCVEGCSA-N 1 0 366.368 2.994 20 5 FFBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000081632064 508199310 /nfs/dbraw/zinc/19/93/10/508199310.db2.gz BZWGIUILZCKVGB-HNNXBMFYSA-N 1 0 371.441 2.809 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000081635798 508200228 /nfs/dbraw/zinc/20/02/28/508200228.db2.gz LBYGMCYYAKFNHB-INIZCTEOSA-N 1 0 360.458 2.505 20 5 FFBDRO CC(C)(C)C(=O)NC[C@@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000112699497 508210966 /nfs/dbraw/zinc/21/09/66/508210966.db2.gz UXIFJKQREWSCOO-HNNXBMFYSA-N 1 0 363.458 2.848 20 5 FFBDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000097152728 508219942 /nfs/dbraw/zinc/21/99/42/508219942.db2.gz DWXOYQCDNSFYKX-LBPRGKRZSA-N 1 0 359.430 2.711 20 5 FFBDRO C[C@@H](CN1CCOCC1)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000113322275 508260826 /nfs/dbraw/zinc/26/08/26/508260826.db2.gz WXHHIBSAEBJJPV-ZDUSSCGKSA-N 1 0 362.455 2.529 20 5 FFBDRO CC(C)[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)C1CCOCC1 ZINC000077323623 508300745 /nfs/dbraw/zinc/30/07/45/508300745.db2.gz QOQSVMOWHSYUJN-UHFFFAOYSA-N 1 0 363.414 2.782 20 5 FFBDRO CCCN(CC[NH+](C)C)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000104530357 508338210 /nfs/dbraw/zinc/33/82/10/508338210.db2.gz PMFPAZZKOYLAFK-UHFFFAOYSA-N 1 0 362.474 2.611 20 5 FFBDRO CCCc1n[nH]c(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000114799329 508348494 /nfs/dbraw/zinc/34/84/94/508348494.db2.gz DOMCHPBJTGCIPV-HNNXBMFYSA-N 1 0 371.441 2.665 20 5 FFBDRO CCCC[NH+]1CCC(Nc2nccc(C(=O)OCC)c2[N+](=O)[O-])CC1 ZINC000077929850 508392843 /nfs/dbraw/zinc/39/28/43/508392843.db2.gz IINUIAJLDKAWOL-UHFFFAOYSA-N 1 0 350.419 2.843 20 5 FFBDRO CCOCCC[N@@H+]1CC[C@H](Nc2nc3sccn3c2[N+](=O)[O-])[C@H](C)C1 ZINC000115521388 508405260 /nfs/dbraw/zinc/40/52/60/508405260.db2.gz PGQQUFPRUIGPID-OLZOCXBDSA-N 1 0 367.475 2.853 20 5 FFBDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000156352501 508406468 /nfs/dbraw/zinc/40/64/68/508406468.db2.gz AYWUGWAQCQDHHM-VXGBXAGGSA-N 1 0 355.822 2.603 20 5 FFBDRO COc1cc(CN(C)C[C@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000152374010 508433530 /nfs/dbraw/zinc/43/35/30/508433530.db2.gz QZARPZAOMNARQL-LBPRGKRZSA-N 1 0 373.400 2.978 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])c(N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1Cl ZINC000133690678 508435642 /nfs/dbraw/zinc/43/56/42/508435642.db2.gz YRRTXMKILAAHQJ-RISCZKNCSA-N 1 0 367.833 2.955 20 5 FFBDRO C[NH+](C)CC[C@H](NC(=O)CCOc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000116126179 508475608 /nfs/dbraw/zinc/47/56/08/508475608.db2.gz VNSILCBWIHIZDW-INIZCTEOSA-N 1 0 351.447 2.846 20 5 FFBDRO COc1cc(N2CCC(OCCC[NH+](C)C)CC2)c([N+](=O)[O-])cc1F ZINC000127689206 508486628 /nfs/dbraw/zinc/48/66/28/508486628.db2.gz ZFDOQWKCRUJXFX-UHFFFAOYSA-N 1 0 355.410 2.680 20 5 FFBDRO C[C@H]([C@H]1Cc2ccccc2O1)[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000134234798 508511065 /nfs/dbraw/zinc/51/10/65/508511065.db2.gz WKDOCOGDMNNWAB-CFLQYTFWSA-N 1 0 372.421 2.659 20 5 FFBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000157158538 508530775 /nfs/dbraw/zinc/53/07/75/508530775.db2.gz WRKFBIYPXKWIRK-SJORKVTESA-N 1 0 372.469 2.751 20 5 FFBDRO C[C@@H]1CCC[N@H+](CCNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000116727795 508551874 /nfs/dbraw/zinc/55/18/74/508551874.db2.gz YZIZYSNIDCUPIP-CYBMUJFWSA-N 1 0 369.849 2.865 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1CNc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000153336322 508573489 /nfs/dbraw/zinc/57/34/89/508573489.db2.gz RXWZLDRVDRYYKU-UHFFFAOYSA-N 1 0 371.441 2.752 20 5 FFBDRO CC[C@@H](O)[C@H]1CCCC[N@@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000117341323 508593860 /nfs/dbraw/zinc/59/38/60/508593860.db2.gz LOERFPSHDCWJEX-GDBMZVCRSA-N 1 0 363.414 2.518 20 5 FFBDRO CCC[NH+]1CCC(CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000122932401 508608906 /nfs/dbraw/zinc/60/89/06/508608906.db2.gz DSPBPWAUCKBGRQ-UHFFFAOYSA-N 1 0 358.442 2.857 20 5 FFBDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)[C@@H](C)N2CCOCC2)cc1[N+](=O)[O-] ZINC000153635392 508613294 /nfs/dbraw/zinc/61/32/94/508613294.db2.gz AJCRLFHNZQTMDZ-QLFBSQMISA-N 1 0 351.447 2.753 20 5 FFBDRO CC[C@H](O)[C@H]1CCCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000128687801 508629209 /nfs/dbraw/zinc/62/92/09/508629209.db2.gz PANLCJGDJSBBKI-CVEARBPZSA-N 1 0 353.394 2.688 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCS[C@H](C)[C@@H]1C ZINC000118415719 508650166 /nfs/dbraw/zinc/65/01/66/508650166.db2.gz DAXZMQJOJIKWGS-NWDGAFQWSA-N 1 0 353.444 2.758 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@H]([NH+]2CCCC2)C1 ZINC000118829710 508680109 /nfs/dbraw/zinc/68/01/09/508680109.db2.gz LSOALNOAJFLTRN-KRWDZBQOSA-N 1 0 360.458 2.792 20 5 FFBDRO C[C@H]1CCCN(c2ccc(C(=O)N(C)[C@@H]3CCC[N@H+](C)C3)cc2[N+](=O)[O-])C1 ZINC000153986410 508692871 /nfs/dbraw/zinc/69/28/71/508692871.db2.gz FNRGESWEXNJCAR-DOTOQJQBSA-N 1 0 374.485 2.997 20 5 FFBDRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000158513291 508715655 /nfs/dbraw/zinc/71/56/55/508715655.db2.gz VMDMBYRAPLOLNB-NOZJJQNGSA-N 1 0 356.220 2.605 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@H](CCCc3ccccc3)C2)c1 ZINC000158601127 508727283 /nfs/dbraw/zinc/72/72/83/508727283.db2.gz IPEAQTFDEDSXDG-ICSRJNTNSA-N 1 0 372.469 2.887 20 5 FFBDRO C[NH+](C)CC1CCC(NC(=O)CSc2ccc([N+](=O)[O-])cc2)CC1 ZINC000129535786 508737691 /nfs/dbraw/zinc/73/76/91/508737691.db2.gz NZOAESBIKQTWIM-UHFFFAOYSA-N 1 0 351.472 2.924 20 5 FFBDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000123821974 508743656 /nfs/dbraw/zinc/74/36/56/508743656.db2.gz QWWJLNYJTOPESM-CQSZACIVSA-N 1 0 358.442 2.999 20 5 FFBDRO O=[N+]([O-])c1cccc(Cl)c1CN1CCCC[C@@H]1CN1CCOCC1 ZINC000119249002 508756338 /nfs/dbraw/zinc/75/63/38/508756338.db2.gz BKIKHGDKIWUGMV-CQSZACIVSA-N 1 0 353.850 2.935 20 5 FFBDRO CC1CC[NH+]([C@@H](CNC(=O)c2[nH]ncc2[N+](=O)[O-])c2ccccc2)CC1 ZINC000137883906 508766421 /nfs/dbraw/zinc/76/64/21/508766421.db2.gz ZLDGQRPLRXWVOJ-HNNXBMFYSA-N 1 0 357.414 2.521 20 5 FFBDRO C[NH+](C)Cc1ccccc1CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000124033205 508773809 /nfs/dbraw/zinc/77/38/09/508773809.db2.gz VNHCMFAZRBWXFC-UHFFFAOYSA-N 1 0 366.421 2.997 20 5 FFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCC(OC[C@H]3CCCCO3)CC2)c1 ZINC000154419262 508781407 /nfs/dbraw/zinc/78/14/07/508781407.db2.gz UHPKEUBUDMILCH-MOPGFXCFSA-N 1 0 364.442 2.678 20 5 FFBDRO O=C(CNc1ccccc1[N+](=O)[O-])NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000159060031 508787286 /nfs/dbraw/zinc/78/72/86/508787286.db2.gz GONNZVMGGOZTGV-INIZCTEOSA-N 1 0 358.398 2.553 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CC[C@H](Cc3ccccc3)C2)c1 ZINC000124169131 508792498 /nfs/dbraw/zinc/79/24/98/508792498.db2.gz JAWPXYWBNHCTRJ-MJGOQNOKSA-N 1 0 356.422 2.899 20 5 FFBDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000124255183 508804963 /nfs/dbraw/zinc/80/49/63/508804963.db2.gz HILGDLKZYURNOK-CYBMUJFWSA-N 1 0 359.430 2.569 20 5 FFBDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000124276366 508808062 /nfs/dbraw/zinc/80/80/62/508808062.db2.gz IAQYFARFWAMPIM-GOSISDBHSA-N 1 0 360.458 2.783 20 5 FFBDRO C[NH+](C)Cc1ccc(CNC(=O)CCNc2ccccc2[N+](=O)[O-])cc1F ZINC000154636236 508823921 /nfs/dbraw/zinc/82/39/21/508823921.db2.gz RHLQQWQQTHNGML-UHFFFAOYSA-N 1 0 374.416 2.914 20 5 FFBDRO COc1cc(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000119588164 508824016 /nfs/dbraw/zinc/82/40/16/508824016.db2.gz BWGZVRNRUNFATM-PBHICJAKSA-N 1 0 369.421 2.854 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCOC3(C2)CCCCCC3)c1 ZINC000119715522 508848885 /nfs/dbraw/zinc/84/88/85/508848885.db2.gz CKKHEGYAKDODAJ-QGZVFWFLSA-N 1 0 364.442 2.760 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](Nc3ccccc3)C2)c1 ZINC000154864702 508872250 /nfs/dbraw/zinc/87/22/50/508872250.db2.gz ZVUUJJYWPSQMHX-HKUYNNGSSA-N 1 0 371.437 2.911 20 5 FFBDRO COCC[N@H+](C)CCCC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000131096801 508886289 /nfs/dbraw/zinc/88/62/89/508886289.db2.gz PPXYAGMMNTXIAF-UHFFFAOYSA-N 1 0 363.458 2.805 20 5 FFBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000131116148 508888946 /nfs/dbraw/zinc/88/89/46/508888946.db2.gz PURLVOVOLNCZFX-CQSZACIVSA-N 1 0 356.426 2.752 20 5 FFBDRO O=C(CN1CC[C@H](C[NH+]2CCCC2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000150843875 508905918 /nfs/dbraw/zinc/90/59/18/508905918.db2.gz XLDOQVYNXRGVMT-CYBMUJFWSA-N 1 0 366.849 2.604 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1CNc1ccc(N2CCOCC2)cn1 ZINC000131309779 508913388 /nfs/dbraw/zinc/91/33/88/508913388.db2.gz ZIGPGXAMQBDIGC-UHFFFAOYSA-N 1 0 358.398 2.837 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](OCC(C)C)C1 ZINC000120053971 508918039 /nfs/dbraw/zinc/91/80/39/508918039.db2.gz AHOOFBDXDJXUKM-OAHLLOKOSA-N 1 0 365.430 2.679 20 5 FFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000120079462 508924154 /nfs/dbraw/zinc/92/41/54/508924154.db2.gz ZGWNKOIOHPAFKS-SCLBCKFNSA-N 1 0 354.410 2.549 20 5 FFBDRO CC(C)C[N@@H+]1CCCC[C@H]1CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000125070953 508926989 /nfs/dbraw/zinc/92/69/89/508926989.db2.gz FHRHQICFCVXZMH-KRWDZBQOSA-N 1 0 369.487 2.525 20 5 FFBDRO Cc1c(NC(=O)[C@@H](C)N(C)CCC(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC000150953023 508929421 /nfs/dbraw/zinc/92/94/21/508929421.db2.gz BFTSJVRXMHQRBK-CYBMUJFWSA-N 1 0 365.430 2.894 20 5 FFBDRO O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160046136 508930012 /nfs/dbraw/zinc/93/00/12/508930012.db2.gz VMMOGAWNERNGEB-PHIMTYICSA-N 1 0 373.331 2.502 20 5 FFBDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000125258285 508956511 /nfs/dbraw/zinc/95/65/11/508956511.db2.gz SFTJWVZINUOMFS-QGZVFWFLSA-N 1 0 362.474 2.805 20 5 FFBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000125307758 508963621 /nfs/dbraw/zinc/96/36/21/508963621.db2.gz VITWQEXIQBCVHF-LSDHHAIUSA-N 1 0 360.458 2.783 20 5 FFBDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000155440291 509001056 /nfs/dbraw/zinc/00/10/56/509001056.db2.gz GURSVOHFBPSGSX-CQSZACIVSA-N 1 0 354.410 2.945 20 5 FFBDRO C[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 ZINC000120627859 509035243 /nfs/dbraw/zinc/03/52/43/509035243.db2.gz AWHPVZAFUGACKI-LBPRGKRZSA-N 1 0 357.366 2.655 20 5 FFBDRO O=[N+]([O-])c1cc(I)ccc1N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000132464347 509035352 /nfs/dbraw/zinc/03/53/52/509035352.db2.gz GHSBPFZHSSHMPV-MNOVXSKESA-N 1 0 373.194 2.530 20 5 FFBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000126741342 509120945 /nfs/dbraw/zinc/12/09/45/509120945.db2.gz WKSZFBPPBYIQKQ-KBXCAEBGSA-N 1 0 372.469 2.750 20 5 FFBDRO CCCc1n[nH]c(C(=O)NC[C@@H]([NH3+])c2ccc(C(C)C)cc2)c1[N+](=O)[O-] ZINC000151993162 509125535 /nfs/dbraw/zinc/12/55/35/509125535.db2.gz CVDLQWZRUVPMJD-CQSZACIVSA-N 1 0 359.430 2.824 20 5 FFBDRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)CC1 ZINC000182367197 509197864 /nfs/dbraw/zinc/19/78/64/509197864.db2.gz QILFFMWMXHTVNY-UHFFFAOYSA-N 1 0 358.398 2.971 20 5 FFBDRO C[C@@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000182404268 509220424 /nfs/dbraw/zinc/22/04/24/509220424.db2.gz IAWHHPPPVDGFGJ-DOMZBBRYSA-N 1 0 361.354 2.594 20 5 FFBDRO C[NH2+]C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)C1 ZINC000179004557 509221591 /nfs/dbraw/zinc/22/15/91/509221591.db2.gz NDBQEXFGDLCXLP-HNNXBMFYSA-N 1 0 360.458 2.513 20 5 FFBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000172802767 509246021 /nfs/dbraw/zinc/24/60/21/509246021.db2.gz LLPXYKKWZXEULX-CZUORRHYSA-N 1 0 357.414 2.876 20 5 FFBDRO C[C@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@@H]1COc2ccccc21 ZINC000185645641 509282944 /nfs/dbraw/zinc/28/29/44/509282944.db2.gz OHTRSWFZYHAMER-GUYCJALGSA-N 1 0 355.394 2.712 20 5 FFBDRO CCOc1cc(NC2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)ncn1 ZINC000185663905 509293504 /nfs/dbraw/zinc/29/35/04/509293504.db2.gz GZHBFTUMCZOAEO-UHFFFAOYSA-N 1 0 357.414 2.860 20 5 FFBDRO CC(C)c1ccc(C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1[N+](=O)[O-] ZINC000188958726 509342187 /nfs/dbraw/zinc/34/21/87/509342187.db2.gz QXJNMMRNGMUEPJ-HUUCEWRRSA-N 1 0 363.458 2.947 20 5 FFBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)CC[C@@H]21 ZINC000179292221 509359348 /nfs/dbraw/zinc/35/93/48/509359348.db2.gz ZEDGMNHWNUPXDM-ACJLOTCBSA-N 1 0 356.426 2.561 20 5 FFBDRO Cc1ncsc1C[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000188996388 509360358 /nfs/dbraw/zinc/36/03/58/509360358.db2.gz NPTKCPUXPOLAJY-UHFFFAOYSA-N 1 0 352.391 2.959 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CCCC[C@@H]2Cc2ccccc2)c1 ZINC000248565304 509367257 /nfs/dbraw/zinc/36/72/57/509367257.db2.gz OQAYPSMUORSSOE-BHIYHBOVSA-N 1 0 358.442 2.543 20 5 FFBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NCC[N@H+](C)C2CCCC2)cc1OC ZINC000264181187 509367648 /nfs/dbraw/zinc/36/76/48/509367648.db2.gz MQOHIOZWNPKOAO-UHFFFAOYSA-N 1 0 365.430 2.606 20 5 FFBDRO C[C@@H](C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000163581099 509394825 /nfs/dbraw/zinc/39/48/25/509394825.db2.gz HHARYAOBDCRPGR-DNVCBOLYSA-N 1 0 368.437 2.580 20 5 FFBDRO COc1ccccc1C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)C(C)C ZINC000185905863 509418497 /nfs/dbraw/zinc/41/84/97/509418497.db2.gz VCUSNGKMKATEGC-QGZVFWFLSA-N 1 0 359.426 2.622 20 5 FFBDRO NC(=O)c1ccc(NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000264261651 509420473 /nfs/dbraw/zinc/42/04/73/509420473.db2.gz DAYCIXBYCXIOEU-INIZCTEOSA-N 1 0 368.437 2.670 20 5 FFBDRO C[C@@H](NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182831088 509447700 /nfs/dbraw/zinc/44/77/00/509447700.db2.gz GUIWDXQROKXZCK-CHWSQXEVSA-N 1 0 371.441 2.854 20 5 FFBDRO CCCc1n[nH]c(C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1[N+](=O)[O-] ZINC000182853681 509459997 /nfs/dbraw/zinc/45/99/97/509459997.db2.gz QVWKZBNAOFQLKP-QWHCGFSZSA-N 1 0 363.462 2.653 20 5 FFBDRO CN(C(=O)C[NH2+][C@H]1CCCc2c(O)cccc21)c1ccc([N+](=O)[O-])cc1 ZINC000192351341 509477848 /nfs/dbraw/zinc/47/78/48/509477848.db2.gz LOJMHOGDSJQSSC-KRWDZBQOSA-N 1 0 355.394 2.930 20 5 FFBDRO CN(C(=O)c1ccc(Br)cc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000267463692 509498594 /nfs/dbraw/zinc/49/85/94/509498594.db2.gz UEPQLLICANDKFJ-UHFFFAOYSA-N 1 0 356.220 2.524 20 5 FFBDRO CCCC[C@@H](C[NH3+])NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000236865523 509520159 /nfs/dbraw/zinc/52/01/59/509520159.db2.gz RQIHDUFONSIHCV-JTQLQIEISA-N 1 0 363.336 2.783 20 5 FFBDRO Cn1cc(N2CCC[C@@H]([NH2+][C@H]3CCCc4ccc([N+](=O)[O-])cc43)C2)cn1 ZINC000249037919 509580448 /nfs/dbraw/zinc/58/04/48/509580448.db2.gz TXGMRZFXTDFOPP-BEFAXECRSA-N 1 0 355.442 2.964 20 5 FFBDRO COC(=O)C[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000165698291 509581223 /nfs/dbraw/zinc/58/12/23/509581223.db2.gz UYCFNYULFVNXQG-AWEZNQCLSA-N 1 0 363.414 2.649 20 5 FFBDRO C[NH2+]C1CCN(C(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)CC1 ZINC000237147847 509581716 /nfs/dbraw/zinc/58/17/16/509581716.db2.gz ZQPYVVXHECFQNC-HUUCEWRRSA-N 1 0 374.485 2.901 20 5 FFBDRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000179707822 509583975 /nfs/dbraw/zinc/58/39/75/509583975.db2.gz RFYXGTMCGOXLAZ-GFCCVEGCSA-N 1 0 360.389 2.566 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H](CCCO)c1ccccc1 ZINC000179741549 509599482 /nfs/dbraw/zinc/59/94/82/509599482.db2.gz LCDZCGNSEJCJGO-QGZVFWFLSA-N 1 0 357.410 2.945 20 5 FFBDRO C[C@H]([NH2+][C@@H]1CC(=O)N(CCOc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000173443169 509601929 /nfs/dbraw/zinc/60/19/29/509601929.db2.gz PMVWGYCYEDJQHA-DOTOQJQBSA-N 1 0 369.421 2.925 20 5 FFBDRO CCS[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000189508693 509610764 /nfs/dbraw/zinc/61/07/64/509610764.db2.gz QQIIHCDXQPDKOA-BHYGNILZSA-N 1 0 354.472 2.988 20 5 FFBDRO C[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@H](c1ccccc1)[NH+](C)C ZINC000189519040 509616869 /nfs/dbraw/zinc/61/68/69/509616869.db2.gz VRAITJTZGSILLW-SUMWQHHRSA-N 1 0 363.439 2.565 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCc2cccc(OCC[NH+](C)C)c2)c1 ZINC000173474979 509623827 /nfs/dbraw/zinc/62/38/27/509623827.db2.gz WKUYLUDESPZNFQ-UHFFFAOYSA-N 1 0 357.410 2.774 20 5 FFBDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000237458512 509652437 /nfs/dbraw/zinc/65/24/37/509652437.db2.gz MFQSBPHSFKEGHT-AAEUAGOBSA-N 1 0 360.439 2.918 20 5 FFBDRO COc1ccc(NC(=O)C[NH2+][C@@H]2CCCO[C@@H]2CC(C)C)c([N+](=O)[O-])c1 ZINC000186364013 509671169 /nfs/dbraw/zinc/67/11/69/509671169.db2.gz BYUVBGUGXFKAOE-NVXWUHKLSA-N 1 0 365.430 2.725 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)c1C ZINC000173668505 509708914 /nfs/dbraw/zinc/70/89/14/509708914.db2.gz AOIUTEMNVPELPV-HNNXBMFYSA-N 1 0 369.487 2.707 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C[C@@H](C)O)C1CCCCC1 ZINC000170691608 509724914 /nfs/dbraw/zinc/72/49/14/509724914.db2.gz VRPMPGWKKMKMPP-CYBMUJFWSA-N 1 0 365.430 2.557 20 5 FFBDRO C[C@@H]1CN(C[C@H]2CCC[N@@H+]2CCOc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000249797927 509764566 /nfs/dbraw/zinc/76/45/66/509764566.db2.gz BIKLOTAFLNMHLQ-SOLBZPMBSA-N 1 0 363.458 2.547 20 5 FFBDRO CC(C)[NH+](CCCNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)C(C)C ZINC000189898941 509817106 /nfs/dbraw/zinc/81/71/06/509817106.db2.gz KKAAZPYAZRHYJE-UHFFFAOYSA-N 1 0 357.476 2.919 20 5 FFBDRO CCC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])C1 ZINC000173950972 509871469 /nfs/dbraw/zinc/87/14/69/509871469.db2.gz NCSOMBHAELAGGE-OAHLLOKOSA-N 1 0 369.487 2.564 20 5 FFBDRO CCc1ccc([C@@H](CNC(=O)Nc2ccncc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000183627046 509892324 /nfs/dbraw/zinc/89/23/24/509892324.db2.gz XEFFEJJLBDEDEB-MRXNPFEDSA-N 1 0 357.414 2.977 20 5 FFBDRO C[NH+](C)CCCC1CCN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CC1 ZINC000190025547 509893204 /nfs/dbraw/zinc/89/32/04/509893204.db2.gz FTVJFNLFRQKAPZ-UHFFFAOYSA-N 1 0 369.487 2.557 20 5 FFBDRO NC(=O)c1ccc(C[N@H+](CCc2ccccc2)[C@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000177138836 509896555 /nfs/dbraw/zinc/89/65/55/509896555.db2.gz ARNKXHQDMMWDEA-SFHVURJKSA-N 1 0 369.421 2.527 20 5 FFBDRO CN(CC1([NH+](C)C)CCC1)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000186842007 509909109 /nfs/dbraw/zinc/90/91/09/509909109.db2.gz DPYLPHNGRJCJDE-UHFFFAOYSA-N 1 0 354.838 2.874 20 5 FFBDRO CC[C@@H]1C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC[C@@H]1c1ccccc1 ZINC000245437376 509932281 /nfs/dbraw/zinc/93/22/81/509932281.db2.gz RMABLHTUTRQBLT-LZQZEXGQSA-N 1 0 358.442 2.668 20 5 FFBDRO COCC[N@H+](C)CCCC1CCN(c2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000193491483 509939537 /nfs/dbraw/zinc/93/95/37/509939537.db2.gz MXFDTTBYFMEVBO-UHFFFAOYSA-N 1 0 350.463 2.752 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000245513756 509977993 /nfs/dbraw/zinc/97/79/93/509977993.db2.gz AVIAVTMAOGAVIG-HZPDHXFCSA-N 1 0 361.442 2.535 20 5 FFBDRO CCCC[N@H+](C)CC1CCN(c2ncc(C(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000190169235 509983542 /nfs/dbraw/zinc/98/35/42/509983542.db2.gz DSIUMGLUAPIMRP-UHFFFAOYSA-N 1 0 364.446 2.725 20 5 FFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000177306498 509988267 /nfs/dbraw/zinc/98/82/67/509988267.db2.gz RVWHGSSBACDECV-ZBFHGGJFSA-N 1 0 357.414 2.703 20 5 FFBDRO C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)c1cnn(-c3ccc([N+](=O)[O-])cc3)c1)C2 ZINC000174188371 509991500 /nfs/dbraw/zinc/99/15/00/509991500.db2.gz ZZYLCVCZTDOZCS-DODVFSASSA-N 1 0 369.425 2.526 20 5 FFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000177330920 509998557 /nfs/dbraw/zinc/99/85/57/509998557.db2.gz NBRHOFKWXZSYNB-OCCSQVGLSA-N 1 0 366.849 2.745 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000261633866 510008354 /nfs/dbraw/zinc/00/83/54/510008354.db2.gz AFICFQPIRODMDD-MDZLAQPJSA-N 1 0 355.822 2.601 20 5 FFBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000177350222 510008843 /nfs/dbraw/zinc/00/88/43/510008843.db2.gz KATSTGFNDTUMHJ-NSHDSACASA-N 1 0 370.247 2.771 20 5 FFBDRO Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000180606225 510011373 /nfs/dbraw/zinc/01/13/73/510011373.db2.gz AQHFHDORKZUXIS-QGZVFWFLSA-N 1 0 354.410 2.744 20 5 FFBDRO C[C@@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCN1CCO ZINC000190241790 510021767 /nfs/dbraw/zinc/02/17/67/510021767.db2.gz CHDXDGLCHLQYGI-CQSZACIVSA-N 1 0 361.467 2.822 20 5 FFBDRO O=[N+]([O-])c1cc(Br)ccc1NC[C@@H](O)C[NH+]1CCCCC1 ZINC000171232647 510024290 /nfs/dbraw/zinc/02/42/90/510024290.db2.gz VCPRFDPZYQEERD-GFCCVEGCSA-N 1 0 358.236 2.616 20 5 FFBDRO O=C(CCNc1ccccc1[N+](=O)[O-])Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000261718815 510039638 /nfs/dbraw/zinc/03/96/38/510039638.db2.gz LHOJJZAQPUEXFY-UHFFFAOYSA-N 1 0 358.373 2.820 20 5 FFBDRO COC(=O)[C@H](O)C1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000180671355 510046581 /nfs/dbraw/zinc/04/65/81/510046581.db2.gz DMHJUTATWZIOIB-GOSISDBHSA-N 1 0 374.393 2.601 20 5 FFBDRO CC[NH+](CC)Cc1cccc(CNC(=O)c2c(N)cccc2[N+](=O)[O-])c1 ZINC000180672213 510047791 /nfs/dbraw/zinc/04/77/91/510047791.db2.gz GAADCFVJEOIRDO-UHFFFAOYSA-N 1 0 356.426 2.949 20 5 FFBDRO C[C@@H](C[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-])c1nccs1 ZINC000183938122 510048004 /nfs/dbraw/zinc/04/80/04/510048004.db2.gz CMNRERSHIQYUIH-STQMWFEESA-N 1 0 351.428 2.527 20 5 FFBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000265443701 510057152 /nfs/dbraw/zinc/05/71/52/510057152.db2.gz AGUFLYAOXWNGMB-CHWSQXEVSA-N 1 0 368.865 2.849 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+]C(C)(C)c1nccs1 ZINC000265454642 510064026 /nfs/dbraw/zinc/06/40/26/510064026.db2.gz DDZCSDUFOCCDEZ-UHFFFAOYSA-N 1 0 364.427 2.913 20 5 FFBDRO CC[C@@H]([NH2+]CCCN1CCC[C@H]1C(=O)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000268857830 510104400 /nfs/dbraw/zinc/10/44/00/510104400.db2.gz QWEWMYGCHQCPPJ-MSOLQXFVSA-N 1 0 362.474 2.578 20 5 FFBDRO CCc1ccc([C@@H]2C[NH2+]CCN2C(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000261958700 510129208 /nfs/dbraw/zinc/12/92/08/510129208.db2.gz MEAHXMBICACDMB-IBGZPJMESA-N 1 0 353.422 2.873 20 5 FFBDRO CN(C/C=C/c1ccccc1[N+](=O)[O-])[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000245754655 510130532 /nfs/dbraw/zinc/13/05/32/510130532.db2.gz OJTOOUOATZAZCU-ISIQUDIPSA-N 1 0 352.456 2.896 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000193949955 510144485 /nfs/dbraw/zinc/14/44/85/510144485.db2.gz POPSUPGUXIQWFN-AWEZNQCLSA-N 1 0 364.446 2.667 20 5 FFBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 ZINC000174526485 510160555 /nfs/dbraw/zinc/16/05/55/510160555.db2.gz UGWFWZBXFSVNEV-HNNXBMFYSA-N 1 0 360.458 2.609 20 5 FFBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000174525587 510161282 /nfs/dbraw/zinc/16/12/82/510161282.db2.gz MLADBAKDULPIES-MRXNPFEDSA-N 1 0 360.458 2.731 20 5 FFBDRO O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000171447142 510164062 /nfs/dbraw/zinc/16/40/62/510164062.db2.gz USUSGFSSKPEXMA-MRXNPFEDSA-N 1 0 358.442 2.505 20 5 FFBDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000262094380 510175363 /nfs/dbraw/zinc/17/53/63/510175363.db2.gz YVBDOXHHFOMBAI-LSDHHAIUSA-N 1 0 360.458 2.640 20 5 FFBDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000262094371 510175539 /nfs/dbraw/zinc/17/55/39/510175539.db2.gz YVBDOXHHFOMBAI-CABCVRRESA-N 1 0 360.458 2.640 20 5 FFBDRO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000194019944 510179368 /nfs/dbraw/zinc/17/93/68/510179368.db2.gz LYWSHBOHKIOZEV-MRXNPFEDSA-N 1 0 372.425 2.582 20 5 FFBDRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc([N+](=O)[O-])cc1Br ZINC000265757255 510212231 /nfs/dbraw/zinc/21/22/31/510212231.db2.gz JHWQPNODCMDALK-UONOGXRCSA-N 1 0 368.231 2.714 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@H]2c2nc3ccccc3s2)c1 ZINC000174655603 510234057 /nfs/dbraw/zinc/23/40/57/510234057.db2.gz WVWBFBZHIOAAMK-ZFWWWQNUSA-N 1 0 373.438 2.599 20 5 FFBDRO C[C@H](NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1CCC[NH2+]C1 ZINC000269167488 510269007 /nfs/dbraw/zinc/26/90/07/510269007.db2.gz DHPGWWXRJYBBGE-AAEUAGOBSA-N 1 0 360.439 2.836 20 5 FFBDRO C[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)[C@H]1CCC[NH2+]C1 ZINC000269171003 510270742 /nfs/dbraw/zinc/27/07/42/510270742.db2.gz FKXBNHQLKQEXFV-IUCAKERBSA-N 1 0 374.210 2.614 20 5 FFBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000177880816 510305771 /nfs/dbraw/zinc/30/57/71/510305771.db2.gz RZXWCOFYZBQEGI-KRWDZBQOSA-N 1 0 362.474 2.901 20 5 FFBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000177880832 510306333 /nfs/dbraw/zinc/30/63/33/510306333.db2.gz RZXWCOFYZBQEGI-QGZVFWFLSA-N 1 0 362.474 2.901 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCCOCCO)o2)c(Cl)c1 ZINC000181216481 510306933 /nfs/dbraw/zinc/30/69/33/510306933.db2.gz GCQBJBBFHRHCLX-UHFFFAOYSA-N 1 0 354.790 2.997 20 5 FFBDRO C[C@H]1CCC[N@H+](CCNC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000184449928 510331005 /nfs/dbraw/zinc/33/10/05/510331005.db2.gz GUDPLZMRLRPOGW-LBPRGKRZSA-N 1 0 354.838 2.779 20 5 FFBDRO C[N@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)CCn1cc([N+](=O)[O-])cn1 ZINC000174853259 510344240 /nfs/dbraw/zinc/34/42/40/510344240.db2.gz YFRKVTLYIKPIJH-UHFFFAOYSA-N 1 0 372.404 2.885 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000266009065 510355898 /nfs/dbraw/zinc/35/58/98/510355898.db2.gz RZTUZWHSDQDPKR-IAQYHMDHSA-N 1 0 364.402 2.614 20 5 FFBDRO C[C@@H]1C[C@H]([N@H+](C)CCn2cc([N+](=O)[O-])cn2)CCN1Cc1ccccc1 ZINC000174870545 510356317 /nfs/dbraw/zinc/35/63/17/510356317.db2.gz PNJOUZXSNYLMQL-SJLPKXTDSA-N 1 0 357.458 2.776 20 5 FFBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2cc(C)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000266024505 510365556 /nfs/dbraw/zinc/36/55/56/510365556.db2.gz MHOSTMVIFJYHSG-NVXWUHKLSA-N 1 0 363.458 2.770 20 5 FFBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2cc(C)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000266024507 510366248 /nfs/dbraw/zinc/36/62/48/510366248.db2.gz MHOSTMVIFJYHSG-RDJZCZTQSA-N 1 0 363.458 2.770 20 5 FFBDRO O=C(NCC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccccc1 ZINC000178020101 510380012 /nfs/dbraw/zinc/38/00/12/510380012.db2.gz CLOGRUQIMPWPFW-SFHVURJKSA-N 1 0 353.422 2.936 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N3CC[NH2+][C@@H](C)[C@H]3C)cc2[N+](=O)[O-])CC1 ZINC000262745398 510393694 /nfs/dbraw/zinc/39/36/94/510393694.db2.gz JLCAYXJMTURZAP-LSDHHAIUSA-N 1 0 360.458 2.654 20 5 FFBDRO O=C(c1ccn([C@H]2CCC[NH2+]C2)n1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000262748007 510394835 /nfs/dbraw/zinc/39/48/35/510394835.db2.gz KBUQVCUCLGWPNB-KRWDZBQOSA-N 1 0 369.425 2.521 20 5 FFBDRO CCO[C@@H]1C[C@@]([NH3+])(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000187712964 510398677 /nfs/dbraw/zinc/39/86/77/510398677.db2.gz QOYVNZFTYXAJQO-VQIMIIECSA-N 1 0 363.458 2.566 20 5 FFBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000184620870 510422610 /nfs/dbraw/zinc/42/26/10/510422610.db2.gz LQRPUEUYLDOCMF-AWEZNQCLSA-N 1 0 354.838 2.922 20 5 FFBDRO COc1cc(C[NH2+]C[C@H](C)CCO)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000266171532 510446277 /nfs/dbraw/zinc/44/62/77/510446277.db2.gz RGNFRAAFBZHZSS-SNVBAGLBSA-N 1 0 366.336 2.653 20 5 FFBDRO CC[C@H]([NH2+]CC(=O)NC(=O)NCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000181539486 510460968 /nfs/dbraw/zinc/46/09/68/510460968.db2.gz SPDQCNZKPQOOFJ-KRWDZBQOSA-N 1 0 370.409 2.662 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N[C@@H]3CC[NH2+][C@@H](C)C3)cc2[N+](=O)[O-])CC1 ZINC000262900610 510467035 /nfs/dbraw/zinc/46/70/35/510467035.db2.gz PPIUAJHBZRSQQW-GOEBONIOSA-N 1 0 360.458 2.701 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C)c1cccc(O)c1 ZINC000181582668 510484422 /nfs/dbraw/zinc/48/44/22/510484422.db2.gz ZOMPDSJUHAAJKI-LBPRGKRZSA-N 1 0 359.382 2.988 20 5 FFBDRO CC(C)(COc1ncccc1C(F)(F)F)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000181654091 510523316 /nfs/dbraw/zinc/52/33/16/510523316.db2.gz IYWNAZAITNTGGA-UHFFFAOYSA-N 1 0 373.335 2.652 20 5 FFBDRO C[C@@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181664757 510529081 /nfs/dbraw/zinc/52/90/81/510529081.db2.gz WZQCCOGTNQAXCM-CABCVRRESA-N 1 0 361.442 2.743 20 5 FFBDRO CCC[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1F ZINC000181682823 510537791 /nfs/dbraw/zinc/53/77/91/510537791.db2.gz MTPYENGVQAPQQU-CZUORRHYSA-N 1 0 354.357 2.561 20 5 FFBDRO CCC[N@H+](C)C[C@H]1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000181730691 510564197 /nfs/dbraw/zinc/56/41/97/510564197.db2.gz UCHQYXVPGVVAQY-CQSZACIVSA-N 1 0 366.437 2.726 20 5 FFBDRO C[C@@]1([NH3+])CCCC[C@H]1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000263142519 510581289 /nfs/dbraw/zinc/58/12/89/510581289.db2.gz CMGNSCAGUXPMLT-PKOBYXMFSA-N 1 0 361.442 2.872 20 5 FFBDRO Cc1c(C(=O)NC2CC[NH+](Cc3cccnc3)CC2)cccc1[N+](=O)[O-] ZINC000172246995 510623987 /nfs/dbraw/zinc/62/39/87/510623987.db2.gz WDIYDZXNYAAKGI-UHFFFAOYSA-N 1 0 354.410 2.693 20 5 FFBDRO CCC1(CC)[C@@H]([NH2+]CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C[C@@H]1OC ZINC000191363455 510624437 /nfs/dbraw/zinc/62/44/37/510624437.db2.gz IOWRTTYRAYVUFU-HOTGVXAUSA-N 1 0 365.430 2.725 20 5 FFBDRO C[C@H](c1ccc(Cl)cc1)[C@@H](C)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000175440346 510647982 /nfs/dbraw/zinc/64/79/82/510647982.db2.gz CJCZLGBGKHJRLS-AHIWAGSCSA-N 1 0 366.849 2.930 20 5 FFBDRO C[NH+]1CCC([C@H]2CCN(C(=O)CSc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000270041334 510649565 /nfs/dbraw/zinc/64/95/65/510649565.db2.gz APOBTIIVHBYXAS-HNNXBMFYSA-N 1 0 363.483 2.877 20 5 FFBDRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)C[C@@H]12 ZINC000185049350 510655193 /nfs/dbraw/zinc/65/51/93/510655193.db2.gz GORPAWQCCMDIPB-MRVWCRGKSA-N 1 0 358.423 2.528 20 5 FFBDRO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C[C@H]1COc2ccccc2O1 ZINC000175484704 510661966 /nfs/dbraw/zinc/66/19/66/510661966.db2.gz CSEKNQNSBVFZQS-INIZCTEOSA-N 1 0 371.393 2.695 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000266622826 510694210 /nfs/dbraw/zinc/69/42/10/510694210.db2.gz FRDFJWCNTSXGPR-UHFFFAOYSA-N 1 0 361.442 2.620 20 5 FFBDRO O=C1C[C@H](c2ccccc2)[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CCN1 ZINC000195199091 510714467 /nfs/dbraw/zinc/71/44/67/510714467.db2.gz GYIZLNSPBHHITC-GOSISDBHSA-N 1 0 355.394 2.537 20 5 FFBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCC[C@H](C)[NH3+])cc1 ZINC000178699648 510727876 /nfs/dbraw/zinc/72/78/76/510727876.db2.gz VASGAPIKPSMDQT-LBPRGKRZSA-N 1 0 359.382 2.863 20 5 FFBDRO C[NH+]1CCC([C@@H]2CCN(C(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)C2)CC1 ZINC000270268465 510741643 /nfs/dbraw/zinc/74/16/43/510741643.db2.gz SVGZHMCYOFMFOS-MRXNPFEDSA-N 1 0 372.469 2.973 20 5 FFBDRO COc1ccc(C(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000182104396 510759565 /nfs/dbraw/zinc/75/95/65/510759565.db2.gz IBEXHKVMGHPCHI-CQSZACIVSA-N 1 0 357.410 2.854 20 5 FFBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000246977216 510779636 /nfs/dbraw/zinc/77/96/36/510779636.db2.gz HBHBGOOROSFEIY-JKSUJKDBSA-N 1 0 360.458 2.872 20 5 FFBDRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)c(F)c1 ZINC000182177027 510796736 /nfs/dbraw/zinc/79/67/36/510796736.db2.gz KYRKZHVHNLQGMI-LLVKDONJSA-N 1 0 370.377 2.998 20 5 FFBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C[N@H+](C)Cc2ccccc2)C(C)C)n1 ZINC000191713462 510798811 /nfs/dbraw/zinc/79/88/11/510798811.db2.gz ASFHUHMEGYNCQG-INIZCTEOSA-N 1 0 373.457 2.698 20 5 FFBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)cc1 ZINC000182311855 510848455 /nfs/dbraw/zinc/84/84/55/510848455.db2.gz MPVIXGWEYHLVJE-GFCCVEGCSA-N 1 0 357.366 2.921 20 5 FFBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000247241012 510853728 /nfs/dbraw/zinc/85/37/28/510853728.db2.gz OQWYIBLHSJJRCO-WMLDXEAASA-N 1 0 364.446 2.853 20 5 FFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000247267797 510854926 /nfs/dbraw/zinc/85/49/26/510854926.db2.gz FIQCKGSRMPODET-WWGRRREGSA-N 1 0 351.472 2.874 20 5 FFBDRO CC(C)[NH+]1CCN(C2CCN(c3ncc(Cl)cc3[N+](=O)[O-])CC2)CC1 ZINC000270472852 510879555 /nfs/dbraw/zinc/87/95/55/510879555.db2.gz NSEBXSXSTCCZTP-UHFFFAOYSA-N 1 0 367.881 2.638 20 5 FFBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@H]2CCOc3c(Br)cccc32)n1 ZINC000282241174 510898512 /nfs/dbraw/zinc/89/85/12/510898512.db2.gz ZZXQEQFPIWWEIT-LBPRGKRZSA-N 1 0 367.203 2.667 20 5 FFBDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000297366709 510919670 /nfs/dbraw/zinc/91/96/70/510919670.db2.gz CMNQGERDLQTEQH-UHFFFAOYSA-N 1 0 362.474 2.982 20 5 FFBDRO C[C@@H]([NH2+]Cc1ccc(N2CCOC2=O)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294057371 510941761 /nfs/dbraw/zinc/94/17/61/510941761.db2.gz GZLJYZQDHHSKDV-GFCCVEGCSA-N 1 0 356.382 2.984 20 5 FFBDRO CN1CCc2nc(NC(=O)CCC(=O)c3cccc([N+](=O)[O-])c3)sc2C1 ZINC000294302660 511019868 /nfs/dbraw/zinc/01/98/68/511019868.db2.gz CRLSPFXQOARUME-UHFFFAOYSA-N 1 0 374.422 2.641 20 5 FFBDRO Cc1ccc([C@H](C)NC(=O)[C@]2([NH3+])[C@H]3CCCO[C@@H]3C2(C)C)cc1[N+](=O)[O-] ZINC000364725442 511044547 /nfs/dbraw/zinc/04/45/47/511044547.db2.gz SWGFTLUDSGYZLV-BCRCDCHUSA-N 1 0 361.442 2.613 20 5 FFBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000270978091 511044862 /nfs/dbraw/zinc/04/48/62/511044862.db2.gz UYURQLMMENNALZ-AWEZNQCLSA-N 1 0 371.441 2.583 20 5 FFBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000282659656 511064885 /nfs/dbraw/zinc/06/48/85/511064885.db2.gz GFTHNEYVJFMFCM-KRWDZBQOSA-N 1 0 362.474 2.757 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CC[C@@H](C4CCOCC4)C3)n2)cc1 ZINC000361955601 511108449 /nfs/dbraw/zinc/10/84/49/511108449.db2.gz SQXHPHCMRYQBPX-OAHLLOKOSA-N 1 0 358.398 2.893 20 5 FFBDRO O=C(CCC(=O)N1CCC[C@@H]1C[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000294742146 511162381 /nfs/dbraw/zinc/16/23/81/511162381.db2.gz OIGKTTIWDGYZAE-QGZVFWFLSA-N 1 0 359.426 2.645 20 5 FFBDRO COc1ccc(NC(=O)CC[N@@H+]2CCn3cccc3[C@H]2C)c([N+](=O)[O-])c1 ZINC000298086182 511170195 /nfs/dbraw/zinc/17/01/95/511170195.db2.gz KPSXRUAZJDXQHF-CYBMUJFWSA-N 1 0 358.398 2.810 20 5 FFBDRO O=C(c1csc([N+](=O)[O-])c1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000279686651 511176738 /nfs/dbraw/zinc/17/67/38/511176738.db2.gz NCWPDLOYNXVXJS-IYBDPMFKSA-N 1 0 357.435 2.860 20 5 FFBDRO COCCCN(C(=O)c1cc([N+](=O)[O-])ccc1Cl)C1CC[NH+](C)CC1 ZINC000291392695 511180811 /nfs/dbraw/zinc/18/08/11/511180811.db2.gz GQGJUSZRIMPQOA-UHFFFAOYSA-N 1 0 369.849 2.821 20 5 FFBDRO CC(C)CC[N@@H+]1Cc2cccc(NC(=O)c3nn(C)cc3[N+](=O)[O-])c2C1 ZINC000271401155 511191722 /nfs/dbraw/zinc/19/17/22/511191722.db2.gz MUROLACTUUWSQM-UHFFFAOYSA-N 1 0 357.414 2.942 20 5 FFBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H]2CCOc3c(Br)cccc32)c1 ZINC000271476039 511218271 /nfs/dbraw/zinc/21/82/71/511218271.db2.gz HZIZTNYGWVINFA-CYBMUJFWSA-N 1 0 367.203 2.667 20 5 FFBDRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000283068953 511222108 /nfs/dbraw/zinc/22/21/08/511222108.db2.gz JYASAZNEFSPGFI-CHWSQXEVSA-N 1 0 361.398 2.970 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000298327265 511246975 /nfs/dbraw/zinc/24/69/75/511246975.db2.gz RELLLHJUVUDSTI-GOEBONIOSA-N 1 0 369.368 2.909 20 5 FFBDRO COc1ccc(NC(=O)CC[N@@H+]2CCSCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000298404325 511272943 /nfs/dbraw/zinc/27/29/43/511272943.db2.gz FHPADQFGEVTSIY-LBPRGKRZSA-N 1 0 353.444 2.759 20 5 FFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1COC2(CCCC2)O1 ZINC000271643734 511273911 /nfs/dbraw/zinc/27/39/11/511273911.db2.gz FACPQBKZWXCBRK-BBRMVZONSA-N 1 0 363.414 2.587 20 5 FFBDRO CC[N@@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)C1 ZINC000283257713 511296645 /nfs/dbraw/zinc/29/66/45/511296645.db2.gz ABPXNTBUYGZQSL-LLVKDONJSA-N 1 0 370.247 2.737 20 5 FFBDRO COCC1(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000291766396 511328752 /nfs/dbraw/zinc/32/87/52/511328752.db2.gz SEJRPJMLYHINTL-UHFFFAOYSA-N 1 0 374.441 2.528 20 5 FFBDRO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@H+](Cc4cncc(F)c4)CC3)nc2c1 ZINC000280127788 511345415 /nfs/dbraw/zinc/34/54/15/511345415.db2.gz APYZKUBBTRBSLY-UHFFFAOYSA-N 1 0 370.388 2.718 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@H](C[NH+](C)C)Oc2ccccc21 ZINC000365273294 511355412 /nfs/dbraw/zinc/35/54/12/511355412.db2.gz YZUINGZITVRRJY-AWEZNQCLSA-N 1 0 371.393 2.573 20 5 FFBDRO C[C@H]1CCC[N@H+](CCCCNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000283544641 511408688 /nfs/dbraw/zinc/40/86/88/511408688.db2.gz SMNXULCIJGASMS-LBPRGKRZSA-N 1 0 352.410 2.558 20 5 FFBDRO C[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC2(CCOCC2)O1 ZINC000280377376 511442980 /nfs/dbraw/zinc/44/29/80/511442980.db2.gz DZIHWTCRPIBFRJ-GFCCVEGCSA-N 1 0 372.368 2.966 20 5 FFBDRO C[NH+](C)CCCOc1cnccc1CNc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000295655536 511473076 /nfs/dbraw/zinc/47/30/76/511473076.db2.gz HAWGUUGVEBXRRO-UHFFFAOYSA-N 1 0 370.413 2.809 20 5 FFBDRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000272250232 511479725 /nfs/dbraw/zinc/47/97/25/511479725.db2.gz YHBNMAYDDJLTNJ-QWHCGFSZSA-N 1 0 355.341 2.553 20 5 FFBDRO Cc1cc(C(=O)N2CCC[C@@H]2CN2C[C@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000299194959 511547449 /nfs/dbraw/zinc/54/74/49/511547449.db2.gz MHHUBJVFHCIQHU-YQQAZPJKSA-N 1 0 361.442 2.617 20 5 FFBDRO CC[NH+](CC)Cc1ccccc1CNC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000299275409 511574646 /nfs/dbraw/zinc/57/46/46/511574646.db2.gz LTJMTSOISUAUNR-UHFFFAOYSA-N 1 0 373.457 2.648 20 5 FFBDRO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](Cc3cnn(C)c3)C2)cccc1[N+](=O)[O-] ZINC000363561411 511629039 /nfs/dbraw/zinc/62/90/39/511629039.db2.gz YZDUZENNIFBOLH-CABCVRRESA-N 1 0 371.441 2.528 20 5 FFBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000273846517 511629052 /nfs/dbraw/zinc/62/90/52/511629052.db2.gz GTYXDUFQMOSIBD-SUMWQHHRSA-N 1 0 363.433 2.954 20 5 FFBDRO C[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1OCCc2sccc21 ZINC000292568256 511646184 /nfs/dbraw/zinc/64/61/84/511646184.db2.gz ZSQPIOGKUNJHQV-DIFFPNOSSA-N 1 0 361.423 2.887 20 5 FFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000280935933 511659419 /nfs/dbraw/zinc/65/94/19/511659419.db2.gz KYIFQQLHLNAMLY-UHFFFAOYSA-N 1 0 357.410 2.985 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H](c2cccs2)[NH+](C)C)n1 ZINC000281005934 511685604 /nfs/dbraw/zinc/68/56/04/511685604.db2.gz QDWDAGHZPYPTEC-GFCCVEGCSA-N 1 0 350.400 2.553 20 5 FFBDRO Nc1c(C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000312662575 511785989 /nfs/dbraw/zinc/78/59/89/511785989.db2.gz MMYDWXDGCWHWQZ-INIZCTEOSA-N 1 0 368.437 2.819 20 5 FFBDRO COC[C@H]1CCCC[N@@H+]([C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000363829656 511793262 /nfs/dbraw/zinc/79/32/62/511793262.db2.gz WRYMKIACDNJEHK-KGLIPLIRSA-N 1 0 365.430 2.679 20 5 FFBDRO COC[C@@H]1CCCC[N@@H+]([C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000363829659 511793683 /nfs/dbraw/zinc/79/36/83/511793683.db2.gz WRYMKIACDNJEHK-ZIAGYGMSSA-N 1 0 365.430 2.679 20 5 FFBDRO COc1c(-c2nc([C@@H]3C[N@@H+]4CCC[C@@]4(C)CO3)no2)cccc1[N+](=O)[O-] ZINC000350402009 511802399 /nfs/dbraw/zinc/80/23/99/511802399.db2.gz RRQDZJNPNZZUDP-GUYCJALGSA-N 1 0 360.370 2.579 20 5 FFBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3)C[C@@H]21 ZINC000317044443 511803420 /nfs/dbraw/zinc/80/34/20/511803420.db2.gz OUSHDWFHBPFLDO-BIGNPOOSSA-N 1 0 368.231 2.557 20 5 FFBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3)C[C@H]21 ZINC000317044447 511804365 /nfs/dbraw/zinc/80/43/65/511804365.db2.gz OUSHDWFHBPFLDO-OWYVNGRQSA-N 1 0 368.231 2.557 20 5 FFBDRO CCC(=O)c1ccc(N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000281433442 511845844 /nfs/dbraw/zinc/84/58/44/511845844.db2.gz JNIRBJNTYUIFIB-AWEZNQCLSA-N 1 0 361.442 2.877 20 5 FFBDRO C[C@H]([NH2+]C[C@](C)(O)CNC(=O)OC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000296688150 511854983 /nfs/dbraw/zinc/85/49/83/511854983.db2.gz JIHYLCQJYGDRHJ-SJCJKPOMSA-N 1 0 353.419 2.521 20 5 FFBDRO C[C@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccc([N+](=O)[O-])cc1 ZINC000296720140 511868738 /nfs/dbraw/zinc/86/87/38/511868738.db2.gz MWWKDFFQKBDMOF-LBPRGKRZSA-N 1 0 370.365 2.743 20 5 FFBDRO COc1cc(NC(=O)C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc(OC)c1 ZINC000296759531 511885729 /nfs/dbraw/zinc/88/57/29/511885729.db2.gz QKAPMSVMHGZVNH-LBPRGKRZSA-N 1 0 359.382 2.901 20 5 FFBDRO Cc1nc(NCc2ccc(OC3CC[NH+](C)CC3)cc2)ncc1[N+](=O)[O-] ZINC000296769664 511890467 /nfs/dbraw/zinc/89/04/67/511890467.db2.gz MPHYRPJKGMADQY-UHFFFAOYSA-N 1 0 357.414 2.778 20 5 FFBDRO COc1ccccc1CNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296831107 511915610 /nfs/dbraw/zinc/91/56/10/511915610.db2.gz WKCWDSSVQWGKOD-UONOGXRCSA-N 1 0 357.410 2.959 20 5 FFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccc(N2CCOCC2)n1 ZINC000274780451 511940718 /nfs/dbraw/zinc/94/07/18/511940718.db2.gz KRZBYACLWUSTQI-MRXNPFEDSA-N 1 0 370.453 2.937 20 5 FFBDRO C[C@H]([NH2+][C@@H](CO)Cc1c[nH]c2ccccc12)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293572198 512013939 /nfs/dbraw/zinc/01/39/39/512013939.db2.gz DNZYDBVAPGOGQC-SWLSCSKDSA-N 1 0 354.410 2.913 20 5 FFBDRO Cc1ccc([C@H](C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)N2CCOCC2)o1 ZINC000293609404 512025408 /nfs/dbraw/zinc/02/54/08/512025408.db2.gz GNGJDHXFQCMVHT-KSSFIOAISA-N 1 0 374.441 2.803 20 5 FFBDRO CCc1n[nH]c(C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000371557828 512464015 /nfs/dbraw/zinc/46/40/15/512464015.db2.gz IABAZUIKIXMAPT-HNNXBMFYSA-N 1 0 371.441 2.522 20 5 FFBDRO Cc1noc(C2(C)CC[NH+](CCC(=O)Nc3ccccc3[N+](=O)[O-])CC2)n1 ZINC000371576389 512474270 /nfs/dbraw/zinc/47/42/70/512474270.db2.gz WLYRHESAOCPBIQ-UHFFFAOYSA-N 1 0 373.413 2.669 20 5 FFBDRO NC(=O)c1ccc(CN2CCCN(c3ccccc3F)CC2)c([N+](=O)[O-])c1 ZINC000375812105 512520319 /nfs/dbraw/zinc/52/03/19/512520319.db2.gz XOULJNCXBYWHIJ-UHFFFAOYSA-N 1 0 372.400 2.545 20 5 FFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000375861285 512542420 /nfs/dbraw/zinc/54/24/20/512542420.db2.gz MRSYRLUTBDCITA-UHFFFAOYSA-N 1 0 355.398 2.776 20 5 FFBDRO CC(C)[NH+]1CCN([C@@H]2CCN(c3ccc4ncccc4c3[N+](=O)[O-])C2)CC1 ZINC000375871893 512547156 /nfs/dbraw/zinc/54/71/56/512547156.db2.gz LXQOGXAWQPAQFA-MRXNPFEDSA-N 1 0 369.469 2.748 20 5 FFBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NC1CC([NH+]2CCCCC2)C1 ZINC000376016432 512617762 /nfs/dbraw/zinc/61/77/62/512617762.db2.gz XFLVKHMUJQJKBM-UHFFFAOYSA-N 1 0 356.426 2.752 20 5 FFBDRO COC(=O)[C@H]1CCCC[C@]1(C)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000411410969 512623045 /nfs/dbraw/zinc/62/30/45/512623045.db2.gz XGTNHVDKSUYXNY-ACJLOTCBSA-N 1 0 363.414 2.635 20 5 FFBDRO Cn1nccc1N1CCC[C@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000376028131 512624161 /nfs/dbraw/zinc/62/41/61/512624161.db2.gz IKAQXWXZWJBEGB-ZWKOTPCHSA-N 1 0 369.469 2.908 20 5 FFBDRO CCC[C@H]([NH2+]C[C@H]1CCC[C@]12NC(=O)N(C)C2=O)c1cccc([N+](=O)[O-])c1 ZINC000369845307 512642319 /nfs/dbraw/zinc/64/23/19/512642319.db2.gz JHGWQBVXRYIVGS-ALKREAHSSA-N 1 0 374.441 2.746 20 5 FFBDRO CC(C)[NH+]1CCN([C@H]2CCN(Cc3ccc([N+](=O)[O-])cc3Cl)C2)CC1 ZINC000367768264 512654231 /nfs/dbraw/zinc/65/42/31/512654231.db2.gz IDJDPLWJDCQROP-KRWDZBQOSA-N 1 0 366.893 2.849 20 5 FFBDRO O=C(CC[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1)NCc1ccccc1Cl ZINC000411478978 512655179 /nfs/dbraw/zinc/65/51/79/512655179.db2.gz LKBQBTYSJCJZDH-UHFFFAOYSA-N 1 0 374.828 2.708 20 5 FFBDRO C[C@@H]([NH2+]CCCN1C(=O)NC2(CCCCC2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000369887199 512665827 /nfs/dbraw/zinc/66/58/27/512665827.db2.gz JKEPNVRKQSBLJK-CQSZACIVSA-N 1 0 374.441 2.890 20 5 FFBDRO Cc1cc(OCC(=O)N2CCCC3(CC[NH+](C)CC3)C2)ccc1[N+](=O)[O-] ZINC000374157120 512682692 /nfs/dbraw/zinc/68/26/92/512682692.db2.gz FDMVJIKYOYTPBX-UHFFFAOYSA-N 1 0 361.442 2.616 20 5 FFBDRO O=C(CC[N@@H+](CCO)Cc1cccc(F)c1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411631856 512727884 /nfs/dbraw/zinc/72/78/84/512727884.db2.gz NWBHTLPQKCBNGU-UHFFFAOYSA-N 1 0 361.373 2.557 20 5 FFBDRO CCN(C(=O)c1nn(C)cc1[N+](=O)[O-])[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000378406447 512743695 /nfs/dbraw/zinc/74/36/95/512743695.db2.gz UONIMWCDACWSTO-HOCLYGCPSA-N 1 0 371.441 2.626 20 5 FFBDRO Cc1n[nH]c(C)c1[C@@H]1COCCN1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000374302131 512754673 /nfs/dbraw/zinc/75/46/73/512754673.db2.gz MVTYWIKCDZHDRD-KRWDZBQOSA-N 1 0 360.414 2.777 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCC[C@H]1C[C@H](C)O ZINC000411681008 512755569 /nfs/dbraw/zinc/75/55/69/512755569.db2.gz VQHHDLBJNFAFON-KBPBESRZSA-N 1 0 365.430 2.557 20 5 FFBDRO C[C@H]1CN(c2ccc(Cl)cc2[N+](=O)[O-])CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000374309528 512757743 /nfs/dbraw/zinc/75/77/43/512757743.db2.gz JQLZBCJNCFIRSO-ZFWWWQNUSA-N 1 0 352.866 2.710 20 5 FFBDRO C[N@@H+]1CCCC12CCN(C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)CC2 ZINC000378520707 512804320 /nfs/dbraw/zinc/80/43/20/512804320.db2.gz PIASFRYSHWVCRO-UHFFFAOYSA-N 1 0 372.469 2.895 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@H](CO)CC(C)(C)C ZINC000411788691 512812180 /nfs/dbraw/zinc/81/21/80/512812180.db2.gz GZYVMUKJVFDYBO-AWEZNQCLSA-N 1 0 367.446 2.661 20 5 FFBDRO CC(C)(O)C[N@@H+]1CCc2c(cccc2NC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000368166877 512828478 /nfs/dbraw/zinc/82/84/78/512828478.db2.gz KFOKKLRJBUYVGN-UHFFFAOYSA-N 1 0 359.382 2.569 20 5 FFBDRO CCOC[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000411823431 512832540 /nfs/dbraw/zinc/83/25/40/512832540.db2.gz PWFKZMFDDQREIS-HNNXBMFYSA-N 1 0 365.430 2.823 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H]1CCc2ccccc2OC1 ZINC000374540055 512880799 /nfs/dbraw/zinc/88/07/99/512880799.db2.gz VWISZQJZZDXRCW-AWEZNQCLSA-N 1 0 371.393 2.525 20 5 FFBDRO NC(=O)[C@@]1(c2ccccc2)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000411957884 512888988 /nfs/dbraw/zinc/88/89/88/512888988.db2.gz BQZSNQRHYQJDLM-SFHVURJKSA-N 1 0 359.813 2.877 20 5 FFBDRO NC(=O)[C@]1(c2ccccc2)CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000411962554 512891645 /nfs/dbraw/zinc/89/16/45/512891645.db2.gz GNGBBLFFRHSMNA-GOSISDBHSA-N 1 0 359.813 2.877 20 5 FFBDRO Cc1cncn1C1CCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1 ZINC000376741099 512966770 /nfs/dbraw/zinc/96/67/70/512966770.db2.gz CWGTUAVNAVFLRY-UHFFFAOYSA-N 1 0 355.398 2.826 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(CC(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)c1F ZINC000412210456 512998022 /nfs/dbraw/zinc/99/80/22/512998022.db2.gz SBURSMHXXWGCQX-CYBMUJFWSA-N 1 0 367.421 2.522 20 5 FFBDRO Cc1noc(C)c1CO[C@@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000368855094 513122746 /nfs/dbraw/zinc/12/27/46/513122746.db2.gz QRZRPMQWCGVATG-OAHLLOKOSA-N 1 0 361.398 2.870 20 5 FFBDRO Cc1ccc(NCCCNC(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000417714712 513177766 /nfs/dbraw/zinc/17/77/66/513177766.db2.gz IUBBNDNSTCKEKG-GDBMZVCRSA-N 1 0 363.462 2.617 20 5 FFBDRO CC(C)c1n[nH]c(C(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000433987852 513209135 /nfs/dbraw/zinc/20/91/35/513209135.db2.gz KDZWXVRQLAEYBH-SJKOYZFVSA-N 1 0 351.451 2.682 20 5 FFBDRO C[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CCC[NH2+]C1 ZINC000428975735 513237774 /nfs/dbraw/zinc/23/77/74/513237774.db2.gz HEUCBFIMLBEHDW-AAEUAGOBSA-N 1 0 360.439 2.836 20 5 FFBDRO O=C(CNc1nccc2c1cccc2[N+](=O)[O-])NCC[NH+]1CCCCCC1 ZINC000450540305 513242529 /nfs/dbraw/zinc/24/25/29/513242529.db2.gz NJMYIHNNVYCAJW-UHFFFAOYSA-N 1 0 371.441 2.547 20 5 FFBDRO CNC(=O)[C@@H]1CC[N@H+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000421396793 513247503 /nfs/dbraw/zinc/24/75/03/513247503.db2.gz ZUKNAQAIQBEFMU-MRXNPFEDSA-N 1 0 368.437 2.931 20 5 FFBDRO CO[C@H](Cc1ccccc1)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000450561484 513251664 /nfs/dbraw/zinc/25/16/64/513251664.db2.gz FWHODNXLEFAXHT-SJLPKXTDSA-N 1 0 356.426 2.734 20 5 FFBDRO COc1ccc(NC(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000415430647 513257528 /nfs/dbraw/zinc/25/75/28/513257528.db2.gz CSAMDHDSPODRBD-DZGCQCFKSA-N 1 0 362.430 2.989 20 5 FFBDRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000415496119 513291773 /nfs/dbraw/zinc/29/17/73/513291773.db2.gz GDQKUTHBYPWYOJ-ROUUACIJSA-N 1 0 370.409 2.871 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N(CCC[NH3+])CC1CCCC1 ZINC000415507667 513301514 /nfs/dbraw/zinc/30/15/14/513301514.db2.gz TUSSTYMMTGKIMU-UHFFFAOYSA-N 1 0 350.419 2.976 20 5 FFBDRO CC(C)([NH2+]CCC(=O)NCC(=O)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000429247303 513314380 /nfs/dbraw/zinc/31/43/80/513314380.db2.gz RBDHTAGCEBSASA-UHFFFAOYSA-N 1 0 369.421 2.809 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000440414280 513315307 /nfs/dbraw/zinc/31/53/07/513315307.db2.gz JPYYVKNERAQJBL-CYBMUJFWSA-N 1 0 363.439 2.710 20 5 FFBDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000417988447 513319993 /nfs/dbraw/zinc/31/99/93/513319993.db2.gz KCROJKWLJFWQHC-YPMHNXCESA-N 1 0 354.838 2.560 20 5 FFBDRO C[C@H](NC(=O)NC[C@H]1[NH2+]CCc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000417992288 513322524 /nfs/dbraw/zinc/32/25/24/513322524.db2.gz WKFWGSKBRGBMAY-SUMWQHHRSA-N 1 0 354.410 2.842 20 5 FFBDRO Cc1nn(-c2cc[nH+]cc2)cc1CNCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446854091 513351241 /nfs/dbraw/zinc/35/12/41/513351241.db2.gz VAKYWJDZHNYBMK-UHFFFAOYSA-N 1 0 363.381 2.650 20 5 FFBDRO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000418089272 513368202 /nfs/dbraw/zinc/36/82/02/513368202.db2.gz LYTDLDSKSOSMFK-SMDDNHRTSA-N 1 0 372.347 2.507 20 5 FFBDRO C[C@H]1C[C@H](NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC[NH2+]1 ZINC000418094549 513369838 /nfs/dbraw/zinc/36/98/38/513369838.db2.gz VAFHEORRDLRYIU-JOYOIKCWSA-N 1 0 360.336 2.553 20 5 FFBDRO Cc1c(NC(=O)N[C@@H](C[NH3+])C2CC2)cc(Br)cc1[N+](=O)[O-] ZINC000415665783 513370267 /nfs/dbraw/zinc/37/02/67/513370267.db2.gz VSXKMIVEOOJYAM-NSHDSACASA-N 1 0 357.208 2.525 20 5 FFBDRO C[NH2+]C[C@H]1CCN(C(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC000429466247 513383254 /nfs/dbraw/zinc/38/32/54/513383254.db2.gz IDSRWGSQDWRCLW-HUUCEWRRSA-N 1 0 360.458 2.513 20 5 FFBDRO [NH3+][C@@H]1CCC[C@H](NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000415708110 513392227 /nfs/dbraw/zinc/39/22/27/513392227.db2.gz WVMKXLSLMXFLER-ZJUUUORDSA-N 1 0 357.208 2.749 20 5 FFBDRO C[C@@H]1CN(c2cccc3cnccc32)CC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000447390286 513463477 /nfs/dbraw/zinc/46/34/77/513463477.db2.gz FVDDJADYQFWFGI-OAHLLOKOSA-N 1 0 366.425 2.550 20 5 FFBDRO COc1ccc(OCC[N@H+](C)Cc2ccc3c(c2)OCO3)c([N+](=O)[O-])c1 ZINC000441177177 513505694 /nfs/dbraw/zinc/50/56/94/513505694.db2.gz MSZHOGRLLNGGNT-UHFFFAOYSA-N 1 0 360.366 2.843 20 5 FFBDRO [NH3+][C@@H](CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccccc1 ZINC000418432577 513508979 /nfs/dbraw/zinc/50/89/79/513508979.db2.gz SLUSAHIRJNRIJG-SFHVURJKSA-N 1 0 354.410 2.969 20 5 FFBDRO CCNC(=O)c1ccc(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000447564775 513510175 /nfs/dbraw/zinc/51/01/75/513510175.db2.gz ZCNPQEKJSDOETJ-IAGOWNOFSA-N 1 0 371.441 2.815 20 5 FFBDRO Cc1nn(C)c(C)c1CCC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447588293 513515207 /nfs/dbraw/zinc/51/52/07/513515207.db2.gz UPRPCQZRTYSFJA-SJORKVTESA-N 1 0 360.462 2.848 20 5 FFBDRO Cc1ccccc1C[C@H](CO)[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447592670 513517670 /nfs/dbraw/zinc/51/76/70/513517670.db2.gz MZIYYGISWNNJNJ-KZNAEPCWSA-N 1 0 358.442 2.777 20 5 FFBDRO C[C@@H](O)C[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@H](C)Cc1ccc(Cl)cc1 ZINC000441271719 513526686 /nfs/dbraw/zinc/52/66/86/513526686.db2.gz ROZLKTNBWCTNNI-ZIAGYGMSSA-N 1 0 366.849 2.759 20 5 FFBDRO Cc1cccc(OCCNC(=O)C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000451108543 513528308 /nfs/dbraw/zinc/52/83/08/513528308.db2.gz WRUGZESEOBWRAK-HNNXBMFYSA-N 1 0 357.410 2.749 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+]C[C@H]2CCC(F)(F)C2)cc1[N+](=O)[O-] ZINC000430018899 513528672 /nfs/dbraw/zinc/52/86/72/513528672.db2.gz DSUCOQRINDKKHE-LBPRGKRZSA-N 1 0 358.341 2.672 20 5 FFBDRO O=C(Nc1ccc2c(c1)C[NH2+]C2)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000415998137 513529698 /nfs/dbraw/zinc/52/96/98/513529698.db2.gz RFUUCKAUSOPQGC-UHFFFAOYSA-N 1 0 367.409 2.552 20 5 FFBDRO C[C@H]([NH3+])c1ccc(CNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000418489784 513531038 /nfs/dbraw/zinc/53/10/38/513531038.db2.gz MHGOEBVXCIVDEH-ZDUSSCGKSA-N 1 0 354.410 2.882 20 5 FFBDRO CCC[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](C)c1ccccc1OC ZINC000441289775 513531665 /nfs/dbraw/zinc/53/16/65/513531665.db2.gz VHFJHCXESKTZDD-ZBFHGGJFSA-N 1 0 362.430 2.634 20 5 FFBDRO C[C@@H](CN=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1)[N@@H+]1CCc2sccc2C1 ZINC000447670914 513536656 /nfs/dbraw/zinc/53/66/56/513536656.db2.gz OPXGEOVELSJEFZ-NSHDSACASA-N 1 0 357.439 2.813 20 5 FFBDRO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000441365294 513553131 /nfs/dbraw/zinc/55/31/31/513553131.db2.gz AKKLMHZZMGGCGN-AUUYWEPGSA-N 1 0 368.437 2.977 20 5 FFBDRO C[C@]1(CNC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CCC[NH2+]C1 ZINC000418553132 513554486 /nfs/dbraw/zinc/55/44/86/513554486.db2.gz VBNMWPFOLUSCLK-LPHOPBHVSA-N 1 0 360.458 2.874 20 5 FFBDRO Cc1cc(OCC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000430106585 513554617 /nfs/dbraw/zinc/55/46/17/513554617.db2.gz RMQLQTRYWPSAOT-KRWDZBQOSA-N 1 0 373.409 2.828 20 5 FFBDRO CS[C@@H]1CN(Cc2ccc(Br)cc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000425426818 513559607 /nfs/dbraw/zinc/55/96/07/513559607.db2.gz WUVULMZUNHEEQW-ZIAGYGMSSA-N 1 0 374.304 2.835 20 5 FFBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1)N(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000435361569 513566568 /nfs/dbraw/zinc/56/65/68/513566568.db2.gz FYSDHFYXEXSDFO-QGZVFWFLSA-N 1 0 372.400 2.913 20 5 FFBDRO COC(=O)[C@H]1CC[N@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(C)C ZINC000430145754 513568334 /nfs/dbraw/zinc/56/83/34/513568334.db2.gz JXTYMEIIOQKJGB-GUYCJALGSA-N 1 0 366.414 2.632 20 5 FFBDRO CO[C@@H]1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@@H](C[NH3+])C1 ZINC000435375432 513569351 /nfs/dbraw/zinc/56/93/51/513569351.db2.gz VASBHGZYSFALLT-HZPDHXFCSA-N 1 0 362.455 2.656 20 5 FFBDRO COc1ccc(CNC(=O)C[C@H](c2ccccc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000416130266 513585735 /nfs/dbraw/zinc/58/57/35/513585735.db2.gz HUEVMMLRGSNBCM-MRXNPFEDSA-N 1 0 357.410 2.913 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1CN1CCC[C@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000430211260 513588178 /nfs/dbraw/zinc/58/81/78/513588178.db2.gz XHOPTXFDWRHADD-DAYGRLMNSA-N 1 0 363.458 2.677 20 5 FFBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000418678460 513607820 /nfs/dbraw/zinc/60/78/20/513607820.db2.gz COMGDDHZRYHPTR-ZWKOTPCHSA-N 1 0 368.437 2.534 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(C[NH2+][C@@H](C2CCOCC2)C2(CO)CCC2)c(F)c1 ZINC000425531866 513624230 /nfs/dbraw/zinc/62/42/30/513624230.db2.gz ATYYKBBKJPFTKT-KRWDZBQOSA-N 1 0 370.396 2.920 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3C[C@H](O)C[C@H]3[C@@H]3CCCOC3)co2)cc1 ZINC000451302934 513663632 /nfs/dbraw/zinc/66/36/32/513663632.db2.gz LNBRRMVPEVDKEE-OLMNPRSZSA-N 1 0 373.409 2.612 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000451342295 513688754 /nfs/dbraw/zinc/68/87/54/513688754.db2.gz MKJQLUNJDGLUNP-KBAYOESNSA-N 1 0 361.442 2.857 20 5 FFBDRO C[N@H+](CCn1cc([N+](=O)[O-])cc(Br)c1=O)Cc1ccccc1 ZINC000418920514 513690822 /nfs/dbraw/zinc/69/08/22/513690822.db2.gz LAPNHKLNDMKNIC-UHFFFAOYSA-N 1 0 366.215 2.651 20 5 FFBDRO C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3F)nc2)C1 ZINC000448182103 513700458 /nfs/dbraw/zinc/70/04/58/513700458.db2.gz XBYGDDSPOLYTAS-AWEZNQCLSA-N 1 0 373.388 2.522 20 5 FFBDRO CC[NH+](CC)CCN(CC(C)C)c1ccc(C(=O)NC)cc1[N+](=O)[O-] ZINC000448233350 513714598 /nfs/dbraw/zinc/71/45/98/513714598.db2.gz CZZXINKJPAKHPN-UHFFFAOYSA-N 1 0 350.463 2.759 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000451417262 513738870 /nfs/dbraw/zinc/73/88/70/513738870.db2.gz KYOCQLBIZNWGDC-NXHRZFHOSA-N 1 0 361.442 2.857 20 5 FFBDRO [NH3+]CC[C@H]1CCCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000442630500 513748111 /nfs/dbraw/zinc/74/81/11/513748111.db2.gz VRXBZBZYWAWAGA-GFCCVEGCSA-N 1 0 355.822 2.605 20 5 FFBDRO O=C(C[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000451432884 513749460 /nfs/dbraw/zinc/74/94/60/513749460.db2.gz ZZFWPUNNXRUBIU-BJJXKVORSA-N 1 0 367.833 2.812 20 5 FFBDRO CC(C)O[C@@H]1C[C@@H]([NH2+]CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1(C)C ZINC000451492168 513785898 /nfs/dbraw/zinc/78/58/98/513785898.db2.gz FRYXTFSLLUCKLG-IAGOWNOFSA-N 1 0 361.442 2.666 20 5 FFBDRO C[NH+](C)C1(CNC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000448570729 513786291 /nfs/dbraw/zinc/78/62/91/513786291.db2.gz DHQLOAYFFKIWRQ-UHFFFAOYSA-N 1 0 361.442 2.938 20 5 FFBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H]2[C@@H](C)[C@H](OC)C2(C)C)c([N+](=O)[O-])c1 ZINC000451494859 513786795 /nfs/dbraw/zinc/78/67/95/513786795.db2.gz GWTIVXMGQKMPNS-LQAWEQHXSA-N 1 0 365.430 2.581 20 5 FFBDRO C[NH+](C)[C@H]1CCN(C(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000436319903 513825796 /nfs/dbraw/zinc/82/57/96/513825796.db2.gz GAEXPDQACDWGMR-LBPRGKRZSA-N 1 0 353.397 2.597 20 5 FFBDRO CO[C@@H]1CC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1(C)C ZINC000451558519 513832740 /nfs/dbraw/zinc/83/27/40/513832740.db2.gz DCBBYPIQJBVNGJ-MRXNPFEDSA-N 1 0 363.414 2.640 20 5 FFBDRO CC(C)[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H](CO)C(C)C ZINC000451599243 513857948 /nfs/dbraw/zinc/85/79/48/513857948.db2.gz PVDHJPVVKQGUAG-RRQGHBQHSA-N 1 0 351.447 2.801 20 5 FFBDRO CC(C)[C@H](CO)[C@@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)C(C)C ZINC000451600769 513859536 /nfs/dbraw/zinc/85/95/36/513859536.db2.gz SQXRKPRTJKNONQ-BZSNNMDCSA-N 1 0 363.458 2.579 20 5 FFBDRO Cc1cc(OCC(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000431358293 513880951 /nfs/dbraw/zinc/88/09/51/513880951.db2.gz LWEZNPUPYPIYQG-KRWDZBQOSA-N 1 0 371.437 2.571 20 5 FFBDRO Cc1cc(OCC(=O)NC[C@H](c2ccsc2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000431465214 513904224 /nfs/dbraw/zinc/90/42/24/513904224.db2.gz NDAGUCHIZSQYMQ-MRXNPFEDSA-N 1 0 363.439 2.763 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)N1CCCC[C@@H]1c1cc[nH]n1 ZINC000451684445 513908903 /nfs/dbraw/zinc/90/89/03/513908903.db2.gz XPPBPIGUKNNDDP-OAHLLOKOSA-N 1 0 366.381 2.871 20 5 FFBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000448825085 513916236 /nfs/dbraw/zinc/91/62/36/513916236.db2.gz UWGSMTDHKHMHDD-HNNXBMFYSA-N 1 0 371.441 2.631 20 5 FFBDRO CCCN(C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000422807157 513938308 /nfs/dbraw/zinc/93/83/08/513938308.db2.gz ONRSUHLVOAHQAZ-GFCCVEGCSA-N 1 0 357.863 2.941 20 5 FFBDRO O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000448923418 513973229 /nfs/dbraw/zinc/97/32/29/513973229.db2.gz FUIJROUCKZXKHO-OAHLLOKOSA-N 1 0 359.426 2.691 20 5 FFBDRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000448934725 513979220 /nfs/dbraw/zinc/97/92/20/513979220.db2.gz WTXJZFZBESZQPJ-GJZGRUSLSA-N 1 0 361.442 2.937 20 5 FFBDRO CC[C@H]([NH2+]CC1(N2CCOCC2)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000414178430 513998350 /nfs/dbraw/zinc/99/83/50/513998350.db2.gz JOJJNQOXJAQSFU-SFHVURJKSA-N 1 0 363.458 2.517 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1 ZINC000423062206 514024988 /nfs/dbraw/zinc/02/49/88/514024988.db2.gz MOEDVFWKLPZVHN-KRWDZBQOSA-N 1 0 357.410 2.946 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@@H](CO)c2ccc(F)cc2)n1 ZINC000414295082 514036940 /nfs/dbraw/zinc/03/69/40/514036940.db2.gz QPVRIWRQBGMGJW-USXIJHARSA-N 1 0 362.405 2.780 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccc(CS(C)(=O)=O)c1 ZINC000449114243 514079031 /nfs/dbraw/zinc/07/90/31/514079031.db2.gz IFXLHHRGGUJSQV-CQSZACIVSA-N 1 0 362.451 2.860 20 5 FFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000423242625 514090668 /nfs/dbraw/zinc/09/06/68/514090668.db2.gz ZCEWCRQNEKDODX-OAHLLOKOSA-N 1 0 355.442 2.833 20 5 FFBDRO Cc1cc(OCC(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)ccc1[N+](=O)[O-] ZINC000432193677 514123585 /nfs/dbraw/zinc/12/35/85/514123585.db2.gz WRZPZZHQCOLBQO-INIZCTEOSA-N 1 0 363.458 2.766 20 5 FFBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437345546 514145453 /nfs/dbraw/zinc/14/54/53/514145453.db2.gz LEJYLWNQWNBMQR-LKFCYVNXSA-N 1 0 357.332 2.826 20 5 FFBDRO CCO[C@@H]1CCCC[C@H]1[NH2+]CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000452031823 514146418 /nfs/dbraw/zinc/14/64/18/514146418.db2.gz BFWYEFTZSCFXMK-NVXWUHKLSA-N 1 0 365.430 2.869 20 5 FFBDRO COc1ccc(-c2ccc(C[N@@H+]3CC[C@@H](C(=O)N(C)C)C3)o2)c([N+](=O)[O-])c1 ZINC000414494902 514148547 /nfs/dbraw/zinc/14/85/47/514148547.db2.gz FVTCZZZQOOGYGY-CYBMUJFWSA-N 1 0 373.409 2.774 20 5 FFBDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2c(C(N)=O)cccc2[N+](=O)[O-])C1 ZINC000420602873 514197656 /nfs/dbraw/zinc/19/76/56/514197656.db2.gz OWQXDYKJQUIUHL-GJZGRUSLSA-N 1 0 360.458 2.785 20 5 FFBDRO O=C1NCCC[C@@H]1[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000449439594 514211753 /nfs/dbraw/zinc/21/17/53/514211753.db2.gz WSPPUIHHLBDAIP-HNNXBMFYSA-N 1 0 359.357 2.894 20 5 FFBDRO COc1ccc(CNC(=O)NCC[NH2+]C2CCCCCC2)cc1[N+](=O)[O-] ZINC000417179459 514213594 /nfs/dbraw/zinc/21/35/94/514213594.db2.gz FTMHWAMARYHTJO-UHFFFAOYSA-N 1 0 364.446 2.715 20 5 FFBDRO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC[N@@H+](C2CC2)C1 ZINC000452171070 514229834 /nfs/dbraw/zinc/22/98/34/514229834.db2.gz JSPBFZABEANDPR-CYBMUJFWSA-N 1 0 354.410 2.699 20 5 FFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]([C@@H](CO)C1CC1)C1CC1 ZINC000449503548 514231731 /nfs/dbraw/zinc/23/17/31/514231731.db2.gz IFGRFAQTPDCFMB-LWLIDHTLSA-N 1 0 361.442 2.699 20 5 FFBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000417221316 514242257 /nfs/dbraw/zinc/24/22/57/514242257.db2.gz CWFIFUIWNOTYFL-FUHWJXTLSA-N 1 0 360.458 2.701 20 5 FFBDRO CCn1cc([N+](=O)[O-])c(C(=O)N(CC[NH+](CC)CC)Cc2ccccc2)n1 ZINC000427609709 514263612 /nfs/dbraw/zinc/26/36/12/514263612.db2.gz PSCZVLDKTXVXPN-UHFFFAOYSA-N 1 0 373.457 2.795 20 5 FFBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437987925 514283551 /nfs/dbraw/zinc/28/35/51/514283551.db2.gz RMXSVURGFNEJAY-GUYCJALGSA-N 1 0 358.442 2.752 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000449698707 514311905 /nfs/dbraw/zinc/31/19/05/514311905.db2.gz OLDVXLPXOGKAEE-YGRLFVJLSA-N 1 0 355.822 2.520 20 5 FFBDRO [NH3+]CC[C@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(F)(F)F ZINC000449716973 514320601 /nfs/dbraw/zinc/32/06/01/514320601.db2.gz HLBJCTWEYATRQV-VIFPVBQESA-N 1 0 359.226 2.623 20 5 FFBDRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000423994611 514327887 /nfs/dbraw/zinc/32/78/87/514327887.db2.gz CHAZFXLEWHPMLJ-CJNGLKHVSA-N 1 0 367.833 2.607 20 5 FFBDRO [NH3+][C@H]1CCCO[C@H]1C1CCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000423994610 514328093 /nfs/dbraw/zinc/32/80/93/514328093.db2.gz CHAZFXLEWHPMLJ-BBRMVZONSA-N 1 0 367.833 2.607 20 5 FFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1NCCc2ccccc21 ZINC000414941913 514366718 /nfs/dbraw/zinc/36/67/18/514366718.db2.gz BGYNRQHGHMRWPQ-IFXJQAMLSA-N 1 0 368.437 2.789 20 5 FFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H]([NH3+])Cc2ccccc21 ZINC000424068913 514367930 /nfs/dbraw/zinc/36/79/30/514367930.db2.gz BFNIBMDBIIXZCS-TZMCWYRMSA-N 1 0 357.435 2.992 20 5 FFBDRO [NH3+][C@H]1Cc2ccccc2N(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000424081185 514373771 /nfs/dbraw/zinc/37/37/71/514373771.db2.gz VDPSWMRGOYMSFT-INIZCTEOSA-N 1 0 366.421 2.725 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)NCC3CC[NH2+]CC3)cc2[N+](=O)[O-])C1 ZINC000428119341 514401934 /nfs/dbraw/zinc/40/19/34/514401934.db2.gz OFTBIAYLEBTCSE-CQSZACIVSA-N 1 0 360.458 2.561 20 5 FFBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000450019508 514468053 /nfs/dbraw/zinc/46/80/53/514468053.db2.gz UXMYBHBYWSOYLN-INIZCTEOSA-N 1 0 373.453 2.748 20 5 FFBDRO CCc1n[nH]c(C(=O)NCC2([N@H+](C)Cc3ccccc3)CCC2)c1[N+](=O)[O-] ZINC000452728114 514476633 /nfs/dbraw/zinc/47/66/33/514476633.db2.gz HWLKRCUDCIPUCG-UHFFFAOYSA-N 1 0 371.441 2.665 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(C[N@@H+]3CC[C@H](O)C3)c2)c1 ZINC000428531926 514489893 /nfs/dbraw/zinc/48/98/93/514489893.db2.gz AXJLRSCBVGQFQT-INIZCTEOSA-N 1 0 355.394 2.722 20 5 FFBDRO CC[N@H+](C)Cc1cccc(CNc2nc(C(=O)OC)ccc2[N+](=O)[O-])c1 ZINC000439110772 514495252 /nfs/dbraw/zinc/49/52/52/514495252.db2.gz VQXNJNDLLPIXRV-UHFFFAOYSA-N 1 0 358.398 2.840 20 5 FFBDRO CCc1ccc([C@H](CNc2cccc(C(N)=O)c2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000439137079 514498969 /nfs/dbraw/zinc/49/89/69/514498969.db2.gz ZMWGERWCMOVXGV-KRWDZBQOSA-N 1 0 356.426 2.971 20 5 FFBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]C(C)(C)COc1ncccc1C(F)(F)F ZINC000502264739 514600128 /nfs/dbraw/zinc/60/01/28/514600128.db2.gz HJELSZUXSWTPEF-UHFFFAOYSA-N 1 0 373.335 2.689 20 5 FFBDRO CN(C(=O)Cc1ccccc1[N+](=O)[O-])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475305355 514611242 /nfs/dbraw/zinc/61/12/42/514611242.db2.gz NPLLDKRTQSZKKE-SFHVURJKSA-N 1 0 353.422 2.870 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475309827 514612416 /nfs/dbraw/zinc/61/24/16/514612416.db2.gz YQYDBOQVIQHODO-QGZVFWFLSA-N 1 0 369.421 2.950 20 5 FFBDRO Cn1c(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000461434742 514615962 /nfs/dbraw/zinc/61/59/62/514615962.db2.gz ZCIHLPUNTABPJA-DLBZAZTESA-N 1 0 368.437 2.527 20 5 FFBDRO Cc1cc(NC(=O)COc2ccc([N+](=O)[O-])cc2)ccc1OCC[NH+](C)C ZINC000458194851 514616325 /nfs/dbraw/zinc/61/63/25/514616325.db2.gz HBAYSKGNHAVUQD-UHFFFAOYSA-N 1 0 373.409 2.861 20 5 FFBDRO O=[N+]([O-])c1cccc(Cl)c1C[NH2+][C@H]1CCCC[C@H]1n1cc(CO)nn1 ZINC000475324334 514621262 /nfs/dbraw/zinc/62/12/62/514621262.db2.gz LFNSEYMRPDWQFO-GOEBONIOSA-N 1 0 365.821 2.606 20 5 FFBDRO COc1c(C(=O)N(CC[NH+](C)C)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000475327026 514622837 /nfs/dbraw/zinc/62/28/37/514622837.db2.gz ZHMUIGXAHDEDNV-UHFFFAOYSA-N 1 0 357.410 2.807 20 5 FFBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000461620778 514670126 /nfs/dbraw/zinc/67/01/26/514670126.db2.gz XLRPCKHYXYNOCL-CQSZACIVSA-N 1 0 373.457 2.846 20 5 FFBDRO [NH3+]CCCN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)Cc1ccccc1 ZINC000479795157 514727274 /nfs/dbraw/zinc/72/72/74/514727274.db2.gz VDRXUJOYXVJEIJ-UHFFFAOYSA-N 1 0 367.409 2.996 20 5 FFBDRO CCO[C@@H]1COCC[C@H]1[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000484657540 514734696 /nfs/dbraw/zinc/73/46/96/514734696.db2.gz VFZCFUFWIPGDDU-NVXWUHKLSA-N 1 0 361.398 2.576 20 5 FFBDRO COc1cc(C[NH2+][C@@H](CO)Cc2ccc(C)c(C)c2)c([N+](=O)[O-])cc1O ZINC000453632560 514740232 /nfs/dbraw/zinc/74/02/32/514740232.db2.gz PSRPXWNBTGTVJN-MRXNPFEDSA-N 1 0 360.410 2.619 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(CC[NH3+])Cc1ccccc1 ZINC000466981666 514851566 /nfs/dbraw/zinc/85/15/66/514851566.db2.gz VRGSXTYEXMZDCK-UHFFFAOYSA-N 1 0 356.426 2.693 20 5 FFBDRO CC[C@@H]([NH2+]CCCN1C(=O)NC2(CCCC2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000480170708 514861985 /nfs/dbraw/zinc/86/19/85/514861985.db2.gz JEYWDKXSNZTTEQ-MRXNPFEDSA-N 1 0 374.441 2.890 20 5 FFBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000467047270 514876717 /nfs/dbraw/zinc/87/67/17/514876717.db2.gz RKLRRIRYOIAUQV-IAQYHMDHSA-N 1 0 372.450 2.931 20 5 FFBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000508763565 514888733 /nfs/dbraw/zinc/88/87/33/514888733.db2.gz IDRZQGIRUWMXME-XHSDSOJGSA-N 1 0 362.474 2.879 20 5 FFBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1cc([N+](=O)[O-])nn1C ZINC000476059067 514901672 /nfs/dbraw/zinc/90/16/72/514901672.db2.gz FUZPFNQQSKIUIE-CQSZACIVSA-N 1 0 371.441 2.633 20 5 FFBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1CC[NH+](CC2CC2)CC1 ZINC000498463317 514913554 /nfs/dbraw/zinc/91/35/54/514913554.db2.gz FQBFKNQSBMSKGZ-UHFFFAOYSA-N 1 0 366.849 2.528 20 5 FFBDRO COCC[N@@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C[C@@H]1CC=CCC1 ZINC000485119527 514922144 /nfs/dbraw/zinc/92/21/44/514922144.db2.gz GIIJNTMMQJJREA-MRXNPFEDSA-N 1 0 361.442 2.862 20 5 FFBDRO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000467217809 514943238 /nfs/dbraw/zinc/94/32/38/514943238.db2.gz OOCBKCMOQGXVQZ-STQMWFEESA-N 1 0 352.822 2.674 20 5 FFBDRO CC[N@@H+]1C[C@H](C)N(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000498553577 514965511 /nfs/dbraw/zinc/96/55/11/514965511.db2.gz GLRMFRUHADSWCK-OLZOCXBDSA-N 1 0 369.849 2.958 20 5 FFBDRO CNC(=O)[C@H](CCSC)[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000489855210 515001188 /nfs/dbraw/zinc/00/11/88/515001188.db2.gz GVSGLTOBBOIVAN-BMFZPTHFSA-N 1 0 365.499 2.763 20 5 FFBDRO COc1c(C(=O)N(CC[NH+](C)C)Cc2cccc(O)c2)cccc1[N+](=O)[O-] ZINC000476379120 515026440 /nfs/dbraw/zinc/02/64/40/515026440.db2.gz ZUJIREUDMUSCKX-UHFFFAOYSA-N 1 0 373.409 2.513 20 5 FFBDRO Cn1cc(CN2CCC[C@@]3(CC[NH2+]C3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000490063709 515087846 /nfs/dbraw/zinc/08/78/46/515087846.db2.gz YACOUJSTAQWFKJ-IBGZPJMESA-N 1 0 355.442 2.571 20 5 FFBDRO Cn1nc2c(c1C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)CCCC2 ZINC000462807087 515253201 /nfs/dbraw/zinc/25/32/01/515253201.db2.gz LNEZNXCIFUHOFK-HZPDHXFCSA-N 1 0 358.446 2.677 20 5 FFBDRO CS[C@H]1CN(Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@@H]1[NH+]1CCCC1 ZINC000509622069 515262682 /nfs/dbraw/zinc/26/26/82/515262682.db2.gz BFIIWQYJFAVELL-HOTGVXAUSA-N 1 0 357.426 2.885 20 5 FFBDRO C[N@H+](CCNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)C1CCCCC1 ZINC000485959684 515274657 /nfs/dbraw/zinc/27/46/57/515274657.db2.gz RPQDOSRQKRUKHK-UHFFFAOYSA-N 1 0 355.385 2.796 20 5 FFBDRO O=C(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000462878489 515279803 /nfs/dbraw/zinc/27/98/03/515279803.db2.gz NGVRJXOHJDQOPM-LSDHHAIUSA-N 1 0 372.450 2.836 20 5 FFBDRO O=C(Cc1ccccc1)N1CCC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000509960248 515383127 /nfs/dbraw/zinc/38/31/27/515383127.db2.gz UMPPIEZMOCNWRS-SFHVURJKSA-N 1 0 353.422 2.918 20 5 FFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@]1(CCO)CCOC1 ZINC000504893649 515402582 /nfs/dbraw/zinc/40/25/82/515402582.db2.gz HLAPEIXFOWFOFT-PBHICJAKSA-N 1 0 354.472 2.844 20 5 FFBDRO COCC[N@H+](C)CCCC1CCN(c2ncc(C)cc2[N+](=O)[O-])CC1 ZINC000499660746 515403955 /nfs/dbraw/zinc/40/39/55/515403955.db2.gz ZOJZMNJGSFIUEU-UHFFFAOYSA-N 1 0 350.463 2.873 20 5 FFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCN1CCOC[C@H]1C ZINC000504899780 515404706 /nfs/dbraw/zinc/40/47/06/515404706.db2.gz MBBCHCKISMSOAI-HUUCEWRRSA-N 1 0 353.488 2.776 20 5 FFBDRO Cn1c(C(=O)NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000477298948 515404823 /nfs/dbraw/zinc/40/48/23/515404823.db2.gz YJGHXWKUSSZBTR-QGZVFWFLSA-N 1 0 356.426 2.574 20 5 FFBDRO C[C@@H](Nc1ccc(C(=O)N[C@@H](C)CC[NH3+])cc1[N+](=O)[O-])c1ccccn1 ZINC000477340390 515419419 /nfs/dbraw/zinc/41/94/19/515419419.db2.gz SUMWRXKPGMFACG-QWHCGFSZSA-N 1 0 357.414 2.630 20 5 FFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000468651553 515454161 /nfs/dbraw/zinc/45/41/61/515454161.db2.gz ZXWSFLVXCLVUOK-BAPRJRNISA-N 1 0 355.442 2.990 20 5 FFBDRO CC(C)[C@@H]1CN(C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1C ZINC000486478897 515501283 /nfs/dbraw/zinc/50/12/83/515501283.db2.gz BHXCSXPYLFBZKJ-HNNXBMFYSA-N 1 0 354.838 2.730 20 5 FFBDRO CCCN(CC[NH+]1CCCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000510502455 515559522 /nfs/dbraw/zinc/55/95/22/515559522.db2.gz ORLVMYPXQRXAKL-UHFFFAOYSA-N 1 0 369.487 2.790 20 5 FFBDRO CC(C)(C[NH+]1CCCC1)NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000457014850 515583854 /nfs/dbraw/zinc/58/38/54/515583854.db2.gz AJJNCZZQRSTXIE-UHFFFAOYSA-N 1 0 374.485 2.802 20 5 FFBDRO C[NH+](C)CCOc1cccc(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)c1 ZINC000500108269 515593898 /nfs/dbraw/zinc/59/38/98/515593898.db2.gz UBZSOJFLGPTSHW-UHFFFAOYSA-N 1 0 369.381 2.664 20 5 FFBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)[N@H+](CC)C[C@H]2C)cc1OC ZINC000500124131 515601568 /nfs/dbraw/zinc/60/15/68/515601568.db2.gz UTFVEKWHFGEIJZ-CHWSQXEVSA-N 1 0 365.430 2.557 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCC[C@H]3Cn3ccnn3)o2)c1 ZINC000493345735 515624471 /nfs/dbraw/zinc/62/44/71/515624471.db2.gz VOYRQVLEALRFRW-INIZCTEOSA-N 1 0 368.397 2.548 20 5 FFBDRO CCC[NH+]1CCC(CNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000500210649 515627923 /nfs/dbraw/zinc/62/79/23/515627923.db2.gz IPIFYBTULQMONG-UHFFFAOYSA-N 1 0 371.441 2.632 20 5 FFBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000457083580 515636649 /nfs/dbraw/zinc/63/66/49/515636649.db2.gz FNWVPDHPZLJSIU-CYBMUJFWSA-N 1 0 370.247 2.912 20 5 FFBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000457089853 515641464 /nfs/dbraw/zinc/64/14/64/515641464.db2.gz LORTXBXYVJROKS-LBPRGKRZSA-N 1 0 357.357 2.751 20 5 FFBDRO CC(C)C[C@H](Nc1nc2ccccc2cc1[N+](=O)[O-])C(=O)NCC[NH+](C)C ZINC000473525694 515647046 /nfs/dbraw/zinc/64/70/46/515647046.db2.gz ZFWLABUDYIWQDC-INIZCTEOSA-N 1 0 373.457 2.647 20 5 FFBDRO O=[N+]([O-])c1ccn(CCN2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)n1 ZINC000478037375 515675650 /nfs/dbraw/zinc/67/56/50/515675650.db2.gz PQYZSWYADXDWNJ-FQEVSTJZSA-N 1 0 369.469 2.779 20 5 FFBDRO COc1ccc(OCC[N@@H+](Cc2cnn(C)c2)CC(C)C)c([N+](=O)[O-])c1 ZINC000459594837 515678339 /nfs/dbraw/zinc/67/83/39/515678339.db2.gz PSNDWHPFUBBUGR-UHFFFAOYSA-N 1 0 362.430 2.874 20 5 FFBDRO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])s1)CC(C)C ZINC000469251775 515742368 /nfs/dbraw/zinc/74/23/68/515742368.db2.gz WSGVIVXKQPZOPL-GFCCVEGCSA-N 1 0 363.505 2.691 20 5 FFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCCc2nn(C)cc21 ZINC000511004247 515743209 /nfs/dbraw/zinc/74/32/09/515743209.db2.gz YXJYLRBUFDCBPD-BLLLJJGKSA-N 1 0 357.414 2.713 20 5 FFBDRO CC(C)[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CC[N@@H+]1C ZINC000487138629 515774054 /nfs/dbraw/zinc/77/40/54/515774054.db2.gz NRORSSUEDMMSHU-SFHVURJKSA-N 1 0 360.458 2.607 20 5 FFBDRO CCOc1cc(N2CC[NH+](CCCOC(C)C)CC2)ccc1[N+](=O)[O-] ZINC000482862238 515828432 /nfs/dbraw/zinc/82/84/32/515828432.db2.gz DGQVMOYEJFIJMS-UHFFFAOYSA-N 1 0 351.447 2.931 20 5 FFBDRO CNc1nc(C(=O)N[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000454958051 515857275 /nfs/dbraw/zinc/85/72/75/515857275.db2.gz VHHNTFBPTUDSBS-HIFRSBDPSA-N 1 0 369.425 2.597 20 5 FFBDRO C[NH+](C)C1(CNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CCC1 ZINC000474099455 515882374 /nfs/dbraw/zinc/88/23/74/515882374.db2.gz UMHNSHIFYUTKSI-UHFFFAOYSA-N 1 0 360.439 2.932 20 5 FFBDRO Cc1ccsc1[C@@H](CO)[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000494652827 515910500 /nfs/dbraw/zinc/91/05/00/515910500.db2.gz XOHAWVVAFNCTFX-GFCCVEGCSA-N 1 0 369.830 2.880 20 5 FFBDRO C[C@H](CNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000511471402 515917967 /nfs/dbraw/zinc/91/79/67/515917967.db2.gz AORYDJHUBHUQQH-HZPDHXFCSA-N 1 0 362.474 2.899 20 5 FFBDRO Cc1cc(OCC(=O)NC2CC[NH+](C(C)C)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000506561146 515918348 /nfs/dbraw/zinc/91/83/48/515918348.db2.gz KKIPOPAQRLPPBI-UHFFFAOYSA-N 1 0 369.849 2.924 20 5 FFBDRO CSC1(CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[NH+](C)CC1 ZINC000464699685 515927927 /nfs/dbraw/zinc/92/79/27/515927927.db2.gz NYAFRDAGMYHUQN-UHFFFAOYSA-N 1 0 357.863 2.805 20 5 FFBDRO COc1cc(C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)cc([N+](=O)[O-])c1C ZINC000478741384 515947417 /nfs/dbraw/zinc/94/74/17/515947417.db2.gz VLYPEHIAZGIEOG-KRWDZBQOSA-N 1 0 371.437 2.815 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000464925373 516016942 /nfs/dbraw/zinc/01/69/42/516016942.db2.gz IUHGHZWXEHFKCY-WCQYABFASA-N 1 0 355.822 2.568 20 5 FFBDRO C[C@H](CNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000487894631 516021747 /nfs/dbraw/zinc/02/17/47/516021747.db2.gz ISSRRAHHZMDGEM-CYBMUJFWSA-N 1 0 368.865 2.822 20 5 FFBDRO CC(C)[C@H]1CN([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC[N@@H+]1C ZINC000487960524 516053436 /nfs/dbraw/zinc/05/34/36/516053436.db2.gz FJIHAGQBYKWISX-CZUORRHYSA-N 1 0 359.430 2.978 20 5 FFBDRO Cc1ccc(NCCCNC(=O)[C@@H](C[NH3+])c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000479150214 516079445 /nfs/dbraw/zinc/07/94/45/516079445.db2.gz BCZJRFOGQFOQJV-INIZCTEOSA-N 1 0 374.416 2.703 20 5 FFBDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000470114785 516126322 /nfs/dbraw/zinc/12/63/22/516126322.db2.gz MAHQSOUTWQCZPL-MRXNPFEDSA-N 1 0 368.409 2.699 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H]1C[C@@](C)(OC)C1(C)C ZINC000465402467 516143097 /nfs/dbraw/zinc/14/30/97/516143097.db2.gz HRYMPWOIHCOVKP-BKGUAONASA-N 1 0 365.430 2.724 20 5 FFBDRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000507274874 516152237 /nfs/dbraw/zinc/15/22/37/516152237.db2.gz AAVZCHBKOIYPAH-KBPBESRZSA-N 1 0 369.487 2.630 20 5 FFBDRO O=C([C@H]1CC[N@@H+](C2CCCCC2)C1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000470301705 516198887 /nfs/dbraw/zinc/19/88/87/516198887.db2.gz BCWACRQXMSDVFV-HNNXBMFYSA-N 1 0 373.453 2.839 20 5 FFBDRO CCN(C(=O)c1cc([N+](=O)[O-])n[nH]1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000507470137 516218909 /nfs/dbraw/zinc/21/89/09/516218909.db2.gz TXTKTYVFQAQGLF-HIFRSBDPSA-N 1 0 357.414 2.616 20 5 FFBDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000470368114 516222651 /nfs/dbraw/zinc/22/26/51/516222651.db2.gz XJYWHCRBNWRYIM-INIZCTEOSA-N 1 0 362.474 2.805 20 5 FFBDRO COC[C@H](C[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1)OC ZINC000512385899 516259167 /nfs/dbraw/zinc/25/91/67/516259167.db2.gz BGIWXKRBHBFKIF-AWEZNQCLSA-N 1 0 350.371 2.614 20 5 FFBDRO COc1cc(C[NH2+]CC2(OC)CCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000507706996 516285934 /nfs/dbraw/zinc/28/59/34/516285934.db2.gz JBDDBEVXPLBNLR-UHFFFAOYSA-N 1 0 360.357 2.906 20 5 FFBDRO Cc1cc(N(C)C)nc(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)[nH+]1 ZINC000507753097 516294458 /nfs/dbraw/zinc/29/44/58/516294458.db2.gz UWRQJIUNXRHGTE-UHFFFAOYSA-N 1 0 370.438 2.917 20 5 FFBDRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C)C1 ZINC000507845366 516313045 /nfs/dbraw/zinc/31/30/45/516313045.db2.gz RXPBDZKTMRGKRB-AWEZNQCLSA-N 1 0 358.446 2.558 20 5 FFBDRO C[C@H]1CCC[N@H+](CCCCNc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C1 ZINC000497544291 516325859 /nfs/dbraw/zinc/32/58/59/516325859.db2.gz WKEBOALATLKCGO-AWEZNQCLSA-N 1 0 369.487 2.922 20 5 FFBDRO CC[NH+](CC)CC1CCN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000497555113 516326197 /nfs/dbraw/zinc/32/61/97/516326197.db2.gz RHBFWPHONHTWDW-UHFFFAOYSA-N 1 0 369.487 2.557 20 5 FFBDRO COc1ccc(CNC(=O)NC[C@@H](C)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000517516199 516347479 /nfs/dbraw/zinc/34/74/79/516347479.db2.gz VWFBEJYDNKMWGI-CQSZACIVSA-N 1 0 364.446 2.525 20 5 FFBDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000517641152 516395076 /nfs/dbraw/zinc/39/50/76/516395076.db2.gz GNQZULOPRNHINU-HNNXBMFYSA-N 1 0 363.458 2.990 20 5 FFBDRO O=C(N1CCCC1)N1CCC[C@@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000512885127 516401253 /nfs/dbraw/zinc/40/12/53/516401253.db2.gz KYVSGURXBZJWSL-CTEOGUNLSA-N 1 0 358.442 2.878 20 5 FFBDRO O=C(N1CCCC1)N1CCC[C@@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000512885129 516401294 /nfs/dbraw/zinc/40/12/94/516401294.db2.gz KYVSGURXBZJWSL-ZGRWHYIRSA-N 1 0 358.442 2.878 20 5 FFBDRO CC(C)c1ccc(C[NH2+]C[C@@H]2CCCCN2S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000512998060 516435761 /nfs/dbraw/zinc/43/57/61/516435761.db2.gz SWSJCMKGHJTMBU-HNNXBMFYSA-N 1 0 369.487 2.622 20 5 FFBDRO COc1ccc(C(=O)N(C)CCC[N@H+](C)Cc2ccncc2)cc1[N+](=O)[O-] ZINC000517765855 516443362 /nfs/dbraw/zinc/44/33/62/516443362.db2.gz KREYZAHJHGLVPZ-UHFFFAOYSA-N 1 0 372.425 2.593 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](CO)c1cccc(F)c1 ZINC000543814952 516444041 /nfs/dbraw/zinc/44/40/41/516444041.db2.gz TVDIQDHPEIKJCZ-QGZVFWFLSA-N 1 0 361.373 2.694 20 5 FFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000531388796 516444654 /nfs/dbraw/zinc/44/46/54/516444654.db2.gz CVOMBFKJRMAUAF-RHSMWYFYSA-N 1 0 356.426 2.574 20 5 FFBDRO CCc1nnc(NC(=O)[C@@H](C)[C@@H](C)[NH2+]Cc2csc([N+](=O)[O-])c2)s1 ZINC000513068957 516460569 /nfs/dbraw/zinc/46/05/69/516460569.db2.gz LVOKVRQINKLPEJ-DTWKUNHWSA-N 1 0 369.472 2.823 20 5 FFBDRO CNc1ccc(C(=O)N2CC([N@H+](C)Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000561281879 516498942 /nfs/dbraw/zinc/49/89/42/516498942.db2.gz XIZKKBBONWAZIC-UHFFFAOYSA-N 1 0 354.410 2.593 20 5 FFBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000558022757 516556313 /nfs/dbraw/zinc/55/63/13/516556313.db2.gz RARGJRRTQKDKQH-UHFFFAOYSA-N 1 0 374.485 2.792 20 5 FFBDRO CC(C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)[N@@H+]1CCc2ccccc2C1 ZINC000531624600 516560307 /nfs/dbraw/zinc/56/03/07/516560307.db2.gz XMSJWCZYYQTXFE-IBGZPJMESA-N 1 0 368.437 2.803 20 5 FFBDRO CC1(C)C[N@@H+](C2(CNC(=O)c3ccc([N+](=O)[O-])o3)CCCCC2)CCO1 ZINC000518184122 516568596 /nfs/dbraw/zinc/56/85/96/516568596.db2.gz ATMVESALXZGSDW-UHFFFAOYSA-N 1 0 365.430 2.731 20 5 FFBDRO CCc1ccc([C@H]2CCC[N@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000513400946 516606261 /nfs/dbraw/zinc/60/62/61/516606261.db2.gz IGAWCINNALTFLK-PKOBYXMFSA-N 1 0 358.442 2.594 20 5 FFBDRO C[C@H](CCNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000544138434 516608364 /nfs/dbraw/zinc/60/83/64/516608364.db2.gz LTNJMTIYGVCZCC-CYBMUJFWSA-N 1 0 355.460 2.675 20 5 FFBDRO CC(C)C[C@@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])[NH2+][C@H](C)c1ccccc1 ZINC000554857295 516667188 /nfs/dbraw/zinc/66/71/88/516667188.db2.gz MCKWPKFXNYWKGP-HIFRSBDPSA-N 1 0 359.430 2.813 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cc(-n4ccnc4)cs3)CC2)cn1 ZINC000544348731 516716312 /nfs/dbraw/zinc/71/63/12/516716312.db2.gz OCWABTUVRPIYAE-UHFFFAOYSA-N 1 0 370.438 2.559 20 5 FFBDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000518596613 516717824 /nfs/dbraw/zinc/71/78/24/516717824.db2.gz GRNLUWOADMWEGW-GASCZTMLSA-N 1 0 371.441 2.773 20 5 FFBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000561721659 516732228 /nfs/dbraw/zinc/73/22/28/516732228.db2.gz VKVUDDDZKWVUPT-QGZVFWFLSA-N 1 0 360.458 2.796 20 5 FFBDRO Cc1c(Br)c(N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000544392830 516739891 /nfs/dbraw/zinc/73/98/91/516739891.db2.gz BFBMFHMWOUIOFE-ONGXEEELSA-N 1 0 357.252 2.980 20 5 FFBDRO COCC[N@@H+]1CCCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1 ZINC000536389769 516747504 /nfs/dbraw/zinc/74/75/04/516747504.db2.gz HFNNSMKCHTYISS-UHFFFAOYSA-N 1 0 356.426 2.815 20 5 FFBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000561777385 516768021 /nfs/dbraw/zinc/76/80/21/516768021.db2.gz WBJFMQRYPWKQTB-QGZVFWFLSA-N 1 0 362.474 2.899 20 5 FFBDRO C[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1Oc2ccccc2[C@@H]1C ZINC000544515862 516792032 /nfs/dbraw/zinc/79/20/32/516792032.db2.gz QJRGIXAOUSZSEZ-XASIKMQRSA-N 1 0 372.421 2.877 20 5 FFBDRO CCN(CC[NH+]1CCCCCC1)C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000561861392 516802722 /nfs/dbraw/zinc/80/27/22/516802722.db2.gz UDLKJPUNUDSXQL-UHFFFAOYSA-N 1 0 363.414 2.662 20 5 FFBDRO O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)c1ccc([N+](=O)[O-])cn1 ZINC000532137595 516818559 /nfs/dbraw/zinc/81/85/59/516818559.db2.gz ZLVKXOQCBXUKBI-UHFFFAOYSA-N 1 0 372.450 2.833 20 5 FFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc2c(c1)C(=O)NCC2 ZINC000544573971 516819588 /nfs/dbraw/zinc/81/95/88/516819588.db2.gz DPRDWMPUFXJXLN-CQSZACIVSA-N 1 0 353.422 2.992 20 5 FFBDRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)c2cc(C)cc([N+](=O)[O-])c2)cc1 ZINC000551792428 516872583 /nfs/dbraw/zinc/87/25/83/516872583.db2.gz KSNNIYBIQOGCNE-GOSISDBHSA-N 1 0 357.410 2.945 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCc1nnnn1-c1ccccc1 ZINC000558698235 516895060 /nfs/dbraw/zinc/89/50/60/516895060.db2.gz ZUFBNOLQYWZQMO-AWEZNQCLSA-N 1 0 352.398 2.772 20 5 FFBDRO CC[NH+](CC)CCCC1CCN(C(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000541165473 516908392 /nfs/dbraw/zinc/90/83/92/516908392.db2.gz TZDXCJVVNQUQNN-UHFFFAOYSA-N 1 0 350.463 2.908 20 5 FFBDRO CN(CC1CC[NH+](C)CC1)C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000514223943 516910982 /nfs/dbraw/zinc/91/09/82/516910982.db2.gz VCLPQUXVKUMMEY-UHFFFAOYSA-N 1 0 357.357 2.610 20 5 FFBDRO Cc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])cn2)[NH+]2CCCC2)cc1 ZINC000532394538 516950618 /nfs/dbraw/zinc/95/06/18/516950618.db2.gz QQWIHQSCRBPPII-GOSISDBHSA-N 1 0 354.410 2.865 20 5 FFBDRO C[C@H]([NH2+]CC(=O)NCCOc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000537074972 517030027 /nfs/dbraw/zinc/03/00/27/517030027.db2.gz CCWHVESDNOKROV-ZDUSSCGKSA-N 1 0 361.373 2.580 20 5 FFBDRO CC[N@@H+]1CCCC[C@@H]1CN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000552044173 517046614 /nfs/dbraw/zinc/04/66/14/517046614.db2.gz SYQQNTPYUKSWAT-MSOLQXFVSA-N 1 0 357.458 2.882 20 5 FFBDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000562399485 517081524 /nfs/dbraw/zinc/08/15/24/517081524.db2.gz VNOGPJVLRHMQFD-KBPBESRZSA-N 1 0 371.441 2.726 20 5 FFBDRO C[NH+](C)Cc1ccc(CNc2ncnc3cccc([N+](=O)[O-])c32)cc1F ZINC000541576300 517121043 /nfs/dbraw/zinc/12/10/43/517121043.db2.gz DFTLMLHJULGJRR-UHFFFAOYSA-N 1 0 355.373 2.773 20 5 FFBDRO Cc1sc(C(=O)Nc2cccc(C[N@@H+]3CC[C@H](O)C3)c2)cc1[N+](=O)[O-] ZINC000552201021 517138681 /nfs/dbraw/zinc/13/86/81/517138681.db2.gz YFEUUZNZXHUTFY-AWEZNQCLSA-N 1 0 361.423 2.784 20 5 FFBDRO C[C@H]([NH2+]C(C)(C)c1cnn(C)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000545293281 517156698 /nfs/dbraw/zinc/15/66/98/517156698.db2.gz QVUCFJGBCOFUQS-JTQLQIEISA-N 1 0 365.821 2.834 20 5 FFBDRO Cn1ccnc1[C@@H](NCC[N@H+](C)C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000552249644 517162198 /nfs/dbraw/zinc/16/21/98/517162198.db2.gz GUCOCHMWSQSCCZ-SFHVURJKSA-N 1 0 357.458 2.882 20 5 FFBDRO Cn1cc([C@H]2C[N@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])CC2(C)C)cn1 ZINC000555880039 517164633 /nfs/dbraw/zinc/16/46/33/517164633.db2.gz IEWPLZPDWLHSIM-OAHLLOKOSA-N 1 0 371.441 2.783 20 5 FFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC(C[NH+](C)C)CC1 ZINC000532922023 517205030 /nfs/dbraw/zinc/20/50/30/517205030.db2.gz ZBQDIFNKHDBHAE-GFCCVEGCSA-N 1 0 368.865 2.849 20 5 FFBDRO CC(C)[C@]1(CO)CCC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000559425463 517248674 /nfs/dbraw/zinc/24/86/74/517248674.db2.gz MHRNVMRQXWUZQV-GOSISDBHSA-N 1 0 360.414 2.875 20 5 FFBDRO CC(C)[C@H](CNc1ccc([N+](=O)[O-])cc1OC(F)F)[NH+]1CCN(C)CC1 ZINC000545484731 517263150 /nfs/dbraw/zinc/26/31/50/517263150.db2.gz LKJHGIMAYZZKKW-HNNXBMFYSA-N 1 0 372.416 2.880 20 5 FFBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000515335787 517304826 /nfs/dbraw/zinc/30/48/26/517304826.db2.gz OCEWOJOQKMLFTK-XJKSGUPXSA-N 1 0 367.421 2.601 20 5 FFBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000541964599 517313320 /nfs/dbraw/zinc/31/33/20/517313320.db2.gz MQFXDLXZGDEANV-NSHDSACASA-N 1 0 357.357 2.610 20 5 FFBDRO Cc1ccccc1[C@@H](CO)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000541983157 517322648 /nfs/dbraw/zinc/32/26/48/517322648.db2.gz LHQHHPISYJHLCS-MRXNPFEDSA-N 1 0 363.801 2.818 20 5 FFBDRO COC(=O)c1cc(C)nc(NC[C@@H](c2ccc(C)cc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000559612957 517341518 /nfs/dbraw/zinc/34/15/18/517341518.db2.gz ALNKUOGLEHBBAT-INIZCTEOSA-N 1 0 372.425 2.530 20 5 FFBDRO CC(C)(C)[C@@H]1C[C@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000515415604 517344383 /nfs/dbraw/zinc/34/43/83/517344383.db2.gz VAWUAWJWZGCWBA-CJNGLKHVSA-N 1 0 370.471 2.552 20 5 FFBDRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000537896724 517395488 /nfs/dbraw/zinc/39/54/88/517395488.db2.gz IFWWRGAFJCSKOF-UHFFFAOYSA-N 1 0 358.373 2.775 20 5 FFBDRO CCC[C@@H](C)[C@@H](CC)[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000537938503 517414265 /nfs/dbraw/zinc/41/42/65/517414265.db2.gz BZRDCJJYKXAVJI-CZUORRHYSA-N 1 0 357.476 2.678 20 5 FFBDRO COC(=O)CCC1CC[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000533345309 517419245 /nfs/dbraw/zinc/41/92/45/517419245.db2.gz QYVPNWCOWGIHSR-UHFFFAOYSA-N 1 0 363.414 2.589 20 5 FFBDRO CC(C)CC[C@@H]([NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000549237064 517470046 /nfs/dbraw/zinc/47/00/46/517470046.db2.gz JETKQWIKYVIJSU-OAHLLOKOSA-N 1 0 369.487 2.678 20 5 FFBDRO C[C@@H]1CC[N@H+](CCNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000542351052 517516390 /nfs/dbraw/zinc/51/63/90/517516390.db2.gz DDIFBZCRSLTWIW-LLVKDONJSA-N 1 0 357.863 2.798 20 5 FFBDRO COc1ccc(C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000515989141 517529549 /nfs/dbraw/zinc/52/95/49/517529549.db2.gz GDEXRHGZPXINRL-MRXNPFEDSA-N 1 0 357.410 2.506 20 5 FFBDRO CC[C@@H]1CN(c2cccc(C(N)=O)c2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000553161375 517550706 /nfs/dbraw/zinc/55/07/06/517550706.db2.gz MZVSQYPVUIUSQQ-MRXNPFEDSA-N 1 0 368.437 2.795 20 5 FFBDRO Cn1ccnc1[C@@H]1CC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000542519238 517607327 /nfs/dbraw/zinc/60/73/27/517607327.db2.gz MTVDLUMBPODQME-CQSZACIVSA-N 1 0 353.382 2.973 20 5 FFBDRO CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000538415454 517611540 /nfs/dbraw/zinc/61/15/40/517611540.db2.gz JUCXRCCOANYDHF-SFHVURJKSA-N 1 0 352.394 2.523 20 5 FFBDRO Cc1cc(N2C[C@@H](N3CCOCC3)C[C@@H]2C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000553264230 517611427 /nfs/dbraw/zinc/61/14/27/517611427.db2.gz ILTWQBYCSMPYHP-HOCLYGCPSA-N 1 0 356.426 2.751 20 5 FFBDRO CSc1ccc(OC[C@H](O)C[NH2+]CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000516454451 517697322 /nfs/dbraw/zinc/69/73/22/517697322.db2.gz QIRCSUQSZHWUEU-MRXNPFEDSA-N 1 0 362.451 2.889 20 5 FFBDRO CNc1ccc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000534020780 517710145 /nfs/dbraw/zinc/71/01/45/517710145.db2.gz SSKZULORQKJTJW-WMZOPIPTSA-N 1 0 354.410 2.812 20 5 FFBDRO CS[C@@H]1CN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C[C@@H]1[NH+](C)C ZINC000546549694 517720465 /nfs/dbraw/zinc/72/04/65/517720465.db2.gz MMHRVFLSTVJZLW-LSDHHAIUSA-N 1 0 369.462 2.516 20 5 FFBDRO [NH3+]C[C@@H]1CN(C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])CCO1 ZINC000516569039 517749458 /nfs/dbraw/zinc/74/94/58/517749458.db2.gz OBYUKBUTUMXTIY-CYBMUJFWSA-N 1 0 373.434 2.546 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+][C@@H](C)Cc2ccsc2)cc1[N+](=O)[O-] ZINC000530441553 517775870 /nfs/dbraw/zinc/77/58/70/517775870.db2.gz VJXFNWHQRPZPEF-LBPRGKRZSA-N 1 0 364.423 2.929 20 5 FFBDRO CC(C)c1ccc2c(c1)[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CCC2 ZINC000516644611 517786700 /nfs/dbraw/zinc/78/67/00/517786700.db2.gz AUVZLEFYDUXXAW-HKUYNNGSSA-N 1 0 358.442 2.943 20 5 FFBDRO CC(C)OCC[C@@H](O)C[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000521614381 517797043 /nfs/dbraw/zinc/79/70/43/517797043.db2.gz LUCDACAEUNEONV-CQSZACIVSA-N 1 0 350.337 2.879 20 5 FFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCN1CCO[C@H](C)C1 ZINC000534331534 517854193 /nfs/dbraw/zinc/85/41/93/517854193.db2.gz MFEODIOUCLFWLB-HUUCEWRRSA-N 1 0 353.488 2.776 20 5 FFBDRO C[C@H](C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])Oc1cccc(F)c1 ZINC000521862581 517877752 /nfs/dbraw/zinc/87/77/52/517877752.db2.gz FRFRDNZXNNWNBN-HIFRSBDPSA-N 1 0 364.373 2.531 20 5 FFBDRO Cc1cc(N[C@@H]2CCC[C@H](C(=O)N(C)C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000543048676 517882297 /nfs/dbraw/zinc/88/22/97/517882297.db2.gz BEEAJHNEAWGVGU-UONOGXRCSA-N 1 0 356.426 2.932 20 5 FFBDRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000557152348 517886334 /nfs/dbraw/zinc/88/63/34/517886334.db2.gz GQGLWMKKXKTLIQ-UHFFFAOYSA-N 1 0 361.398 2.547 20 5 FFBDRO CCCc1n[nH]c(C(=O)N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)c1[N+](=O)[O-] ZINC000521907691 517896181 /nfs/dbraw/zinc/89/61/81/517896181.db2.gz LJDGYDGQGLYNHH-DZGCQCFKSA-N 1 0 371.441 2.836 20 5 FFBDRO C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])cn2C)CC[N@@H+]1Cc1ccccc1 ZINC000530709895 517933492 /nfs/dbraw/zinc/93/34/92/517933492.db2.gz KJSDWHRIPIZBGT-GDBMZVCRSA-N 1 0 356.426 2.716 20 5 FFBDRO COCCSc1ccc([C@@H](C)[NH2+]CCn2ccc([N+](=O)[O-])n2)cc1 ZINC000539306320 517984425 /nfs/dbraw/zinc/98/44/25/517984425.db2.gz RKVZNLIHMYOPNG-CYBMUJFWSA-N 1 0 350.444 2.881 20 5 FFBDRO CC(C)(C)[N@@H+]1CCCN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CC1 ZINC000522107144 517986377 /nfs/dbraw/zinc/98/63/77/517986377.db2.gz UYCQLOKTOQVQOM-UHFFFAOYSA-N 1 0 360.458 2.798 20 5 FFBDRO CC[NH+](CC)CCN(CCOC)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000517090999 518021183 /nfs/dbraw/zinc/02/11/83/518021183.db2.gz NTKPGTUEAMYVMF-UHFFFAOYSA-N 1 0 362.430 2.507 20 5 FFBDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000522195069 518027944 /nfs/dbraw/zinc/02/79/44/518027944.db2.gz QHRYYAZPEVCTMS-CQSZACIVSA-N 1 0 359.430 2.856 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)NCC[N@H+]2CC=C(C)CC2)cc1SC ZINC000547274278 518049158 /nfs/dbraw/zinc/04/91/58/518049158.db2.gz NYVBGTCCPDZARB-UHFFFAOYSA-N 1 0 365.455 2.707 20 5 FFBDRO COc1ccc(C[NH2+]C[C@H](O)COc2cc(C)ccc2C)cc1[N+](=O)[O-] ZINC000517186848 518050991 /nfs/dbraw/zinc/05/09/91/518050991.db2.gz IUJYOBJSTBMUBD-INIZCTEOSA-N 1 0 360.410 2.750 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000522386959 518095251 /nfs/dbraw/zinc/09/52/51/518095251.db2.gz QKRGINYGRBIKTN-STQMWFEESA-N 1 0 369.849 2.816 20 5 FFBDRO CC[C@@H]([NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1c(C)nn(C)c1C ZINC000543455745 518100159 /nfs/dbraw/zinc/10/01/59/518100159.db2.gz AXQAFTVCUKESEJ-OAHLLOKOSA-N 1 0 359.430 2.933 20 5 FFBDRO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000517268949 518100160 /nfs/dbraw/zinc/10/01/60/518100160.db2.gz RMCPFEAZJAFLOX-HNNXBMFYSA-N 1 0 374.441 2.516 20 5 FFBDRO O=C(NCc1ccccc1[N+](=O)[O-])[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000522830459 518168162 /nfs/dbraw/zinc/16/81/62/518168162.db2.gz VGABNXYUYUMTTB-KRWDZBQOSA-N 1 0 354.410 2.518 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC[C@H]([NH+]3CCOCC3)CC2)c2ccncc21 ZINC000581320488 518229255 /nfs/dbraw/zinc/22/92/55/518229255.db2.gz FXFUAEDFXWUXNC-HNNXBMFYSA-N 1 0 356.426 2.834 20 5 FFBDRO Cc1ccc([C@@H](C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)N(C)C)cc1 ZINC000584226833 518237585 /nfs/dbraw/zinc/23/75/85/518237585.db2.gz QSUZKNRITYLPQG-AZUAARDMSA-N 1 0 373.453 2.535 20 5 FFBDRO CC(C)C[C@H]1C[C@@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000581365855 518250523 /nfs/dbraw/zinc/25/05/23/518250523.db2.gz PKQZPTGFWCRFFG-HOCLYGCPSA-N 1 0 370.471 2.552 20 5 FFBDRO COc1ccc(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1Cl ZINC000584287053 518264474 /nfs/dbraw/zinc/26/44/74/518264474.db2.gz SAOZTIUFQVAHPJ-AWEZNQCLSA-N 1 0 366.801 2.786 20 5 FFBDRO C[C@H]1C[C@@H](N(C)C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)CC[N@@H+]1C ZINC000578569180 518268589 /nfs/dbraw/zinc/26/85/89/518268589.db2.gz MJMZNQQUDIBHSM-ZFWWWQNUSA-N 1 0 373.457 2.743 20 5 FFBDRO Cc1cccc(C)c1OCC[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000566968217 518289575 /nfs/dbraw/zinc/28/95/75/518289575.db2.gz JFYKTTGBZMHNRV-INIZCTEOSA-N 1 0 360.410 2.620 20 5 FFBDRO O=[N+]([O-])c1ccccc1N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000584357220 518300099 /nfs/dbraw/zinc/30/00/99/518300099.db2.gz XHAOQOFVXXVHEW-IBGZPJMESA-N 1 0 366.465 2.991 20 5 FFBDRO C[N@@H+]1CCN(CCN[C@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)CC1(C)C ZINC000564091576 518303542 /nfs/dbraw/zinc/30/35/42/518303542.db2.gz WRSIDBOSJIYDCZ-OAHLLOKOSA-N 1 0 374.407 2.814 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@H](CO)c3cccnc3)cs2)c1 ZINC000564116882 518312822 /nfs/dbraw/zinc/31/28/22/518312822.db2.gz NQYYOZPMVXHOPA-OAHLLOKOSA-N 1 0 370.434 2.979 20 5 FFBDRO Cc1ccc(C2(C[NH2+]C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CCCC2)c(C)c1 ZINC000572870281 518400019 /nfs/dbraw/zinc/40/00/19/518400019.db2.gz JDIDUZSCWADCNP-SFHVURJKSA-N 1 0 372.469 2.871 20 5 FFBDRO CC(C)(C)[C@@H]1C[C@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000572870680 518400119 /nfs/dbraw/zinc/40/01/19/518400119.db2.gz YPRKOQDLIRJWQM-KEYYUXOJSA-N 1 0 352.431 2.518 20 5 FFBDRO CSc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])n2C)[NH+](C)C)cc1 ZINC000572876974 518404115 /nfs/dbraw/zinc/40/41/15/518404115.db2.gz GOCXCRQVXQOOIB-HNNXBMFYSA-N 1 0 362.455 2.688 20 5 FFBDRO Cc1c(Br)c(=O)n(C[C@H]2CC[C@H](C[NH3+])CC2)cc1[N+](=O)[O-] ZINC000584778718 518473856 /nfs/dbraw/zinc/47/38/56/518473856.db2.gz WGKWRRYNBZQEAK-XYPYZODXSA-N 1 0 358.236 2.593 20 5 FFBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000567361843 518485597 /nfs/dbraw/zinc/48/55/97/518485597.db2.gz QXRPBLRMUJNZFL-IBGZPJMESA-N 1 0 360.458 2.703 20 5 FFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@H]1CS(=O)(=O)c2ccccc21 ZINC000581894483 518490774 /nfs/dbraw/zinc/49/07/74/518490774.db2.gz VBEIHIKPVRPOFO-LRDDRELGSA-N 1 0 358.419 2.743 20 5 FFBDRO O=[N+]([O-])c1cccc(Cl)c1C[NH2+][C@H]1CCCC[C@H]1N1CCOCC1 ZINC000573286424 518592248 /nfs/dbraw/zinc/59/22/48/518592248.db2.gz BOLLBFZRRDUEPC-DOTOQJQBSA-N 1 0 353.850 2.981 20 5 FFBDRO C[N@@H+]1CCC[C@@H](NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000585808423 518613566 /nfs/dbraw/zinc/61/35/66/518613566.db2.gz BRGPOXDCCXBGGP-SNVBAGLBSA-N 1 0 357.208 2.573 20 5 FFBDRO O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000573478614 518685599 /nfs/dbraw/zinc/68/55/99/518685599.db2.gz QLRIWIUUCXZEPR-ZWKOTPCHSA-N 1 0 371.441 2.545 20 5 FFBDRO C[C@@H]1CCCC[C@@H]1OCC[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000570599382 518685950 /nfs/dbraw/zinc/68/59/50/518685950.db2.gz RNRSQBXNTBDNRS-PBHICJAKSA-N 1 0 370.471 2.553 20 5 FFBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)[C@H]1C[NH2+]Cc2ccccc21 ZINC000564929248 518700885 /nfs/dbraw/zinc/70/08/85/518700885.db2.gz BPZRBYUGHXWXMF-IBGZPJMESA-N 1 0 353.422 2.921 20 5 FFBDRO O=c1cc(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)nc2ccccn12 ZINC000573570911 518732840 /nfs/dbraw/zinc/73/28/40/518732840.db2.gz OBBSKUYBDIINCZ-QGZVFWFLSA-N 1 0 350.378 2.770 20 5 FFBDRO O=[N+]([O-])c1ccccc1CC[NH2+]C[C@@H](O)COc1ccc(Cl)cc1 ZINC000579583052 518749794 /nfs/dbraw/zinc/74/97/94/518749794.db2.gz ZZNUZNAPWHTDRG-OAHLLOKOSA-N 1 0 350.802 2.820 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000576957812 518847768 /nfs/dbraw/zinc/84/77/68/518847768.db2.gz SWCNXSNQQLGBST-QGZVFWFLSA-N 1 0 363.458 2.680 20 5 FFBDRO CC(C)c1n[nH]c(C(=O)N[C@]2(C)CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000568143656 518894165 /nfs/dbraw/zinc/89/41/65/518894165.db2.gz DEJUITDPKYNMSY-LJQANCHMSA-N 1 0 371.441 2.836 20 5 FFBDRO C[NH+]1CCC(Cc2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)CC1 ZINC000589136694 518926535 /nfs/dbraw/zinc/92/65/35/518926535.db2.gz KBCDAPDJDKYRDH-UHFFFAOYSA-N 1 0 355.398 2.934 20 5 FFBDRO NC(=O)Cc1ccc(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000589344899 518985057 /nfs/dbraw/zinc/98/50/57/518985057.db2.gz YYXMZGHKIVFHJY-SFHVURJKSA-N 1 0 353.422 2.734 20 5 FFBDRO COCc1nc(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cs1 ZINC000565568804 519022580 /nfs/dbraw/zinc/02/25/80/519022580.db2.gz NLKTZYTZCYBNPN-CHWSQXEVSA-N 1 0 351.432 2.668 20 5 FFBDRO CCOc1cc(NC(=O)N2CCC[C@H](C[NH3+])C2)c([N+](=O)[O-])cc1OCC ZINC000571295661 519024738 /nfs/dbraw/zinc/02/47/38/519024738.db2.gz PKYBUAAUQVCROZ-GFCCVEGCSA-N 1 0 366.418 2.595 20 5 FFBDRO C[C@@H]1CC[N@H+](CCNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000568460504 519046483 /nfs/dbraw/zinc/04/64/83/519046483.db2.gz YQIKYJFLWSAMPF-GFCCVEGCSA-N 1 0 360.439 2.790 20 5 FFBDRO COCCCN(C(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000589630305 519047393 /nfs/dbraw/zinc/04/73/93/519047393.db2.gz BBHREHYQCAYBEE-OAHLLOKOSA-N 1 0 363.458 2.658 20 5 FFBDRO C[NH+](C)C1CCN(CCN[C@@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)CC1 ZINC000574283945 519081032 /nfs/dbraw/zinc/08/10/32/519081032.db2.gz JAQDRMALPZRKJB-INIZCTEOSA-N 1 0 374.407 2.814 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000590022643 519131068 /nfs/dbraw/zinc/13/10/68/519131068.db2.gz QCZZAICLZXTATL-INIZCTEOSA-N 1 0 361.442 2.980 20 5 FFBDRO CC(C)Oc1nc(NC(C)(C)CC[NH+]2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000580465874 519190940 /nfs/dbraw/zinc/19/09/40/519190940.db2.gz ZNOFKKSZDWYBDR-UHFFFAOYSA-N 1 0 365.478 2.605 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@H]2CCC3(CCCCC3)O2)c1 ZINC000577742139 519233110 /nfs/dbraw/zinc/23/31/10/519233110.db2.gz ABYMYMZOOHNJQL-FUHWJXTLSA-N 1 0 364.442 2.806 20 5 FFBDRO O=C1[C@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CCCN1CC(F)(F)F ZINC000574704434 519290052 /nfs/dbraw/zinc/29/00/52/519290052.db2.gz WNPQRBJBJGGQLN-QWHCGFSZSA-N 1 0 357.332 2.725 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](c2ccncc2)C1 ZINC000577884383 519306474 /nfs/dbraw/zinc/30/64/74/519306474.db2.gz KUAKRITWHUVUJO-OAHLLOKOSA-N 1 0 370.409 2.817 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000566114266 519309467 /nfs/dbraw/zinc/30/94/67/519309467.db2.gz DVVNLLZOIZSPRH-WVSUBDOOSA-N 1 0 354.406 2.510 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H]2C[C@@H]2c2cccc(F)c2)cc1 ZINC000568976110 519312930 /nfs/dbraw/zinc/31/29/30/519312930.db2.gz SPTZFUZZOKAHHU-SJORKVTESA-N 1 0 364.398 2.653 20 5 FFBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]C[C@@H](O)Cc3ccc(F)cc3)c2c1 ZINC000566128993 519319451 /nfs/dbraw/zinc/31/94/51/519319451.db2.gz RWGVEWMINSYOPM-KRWDZBQOSA-N 1 0 357.385 2.951 20 5 FFBDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000590751930 519349130 /nfs/dbraw/zinc/34/91/30/519349130.db2.gz AEWAVRLBUQAQNM-NDMJEZRESA-N 1 0 369.805 2.507 20 5 FFBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])CCn1cc(Br)cn1 ZINC000580797836 519363581 /nfs/dbraw/zinc/36/35/81/519363581.db2.gz QLILSACVLPWKOF-UHFFFAOYSA-N 1 0 369.219 2.565 20 5 FFBDRO C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C[N@@H+]1C1CC1 ZINC000583666818 519367019 /nfs/dbraw/zinc/36/70/19/519367019.db2.gz SQXBXSHQHPQYIB-HIFRSBDPSA-N 1 0 358.442 2.868 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1cccc(N2CCOCC2)n1 ZINC000580987009 519461368 /nfs/dbraw/zinc/46/13/68/519461368.db2.gz ZOALMYWXTRHZGT-OAHLLOKOSA-N 1 0 356.426 2.986 20 5 FFBDRO COc1ccccc1CCNC(=O)C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000566473714 519511196 /nfs/dbraw/zinc/51/11/96/519511196.db2.gz CHNYIJXVIKLBGG-QGZVFWFLSA-N 1 0 369.421 2.539 20 5 FFBDRO Cc1ccc(CC[C@H](C)[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000575174894 519540425 /nfs/dbraw/zinc/54/04/25/519540425.db2.gz XYMOXRPZWHNORZ-ZDUSSCGKSA-N 1 0 366.439 2.881 20 5 FFBDRO COC(=O)c1cc(C)nc(N(CC[NH+](C)C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000569519111 519589077 /nfs/dbraw/zinc/58/90/77/519589077.db2.gz YINJHRMNGKAAEM-UHFFFAOYSA-N 1 0 372.425 2.653 20 5 FFBDRO CCc1ccc(S(=O)(=O)N2CC[C@@H](C[NH+](CC)CC)C2)cc1[N+](=O)[O-] ZINC000572398046 519594799 /nfs/dbraw/zinc/59/47/99/519594799.db2.gz VQFMINSFARVZGD-AWEZNQCLSA-N 1 0 369.487 2.510 20 5 FFBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)c1nc([C@@H]([NH3+])CC(C)C)no1 ZINC000584112915 519596995 /nfs/dbraw/zinc/59/69/95/519596995.db2.gz QKORWJAQZNKOPU-WDEREUQCSA-N 1 0 351.411 2.629 20 5 FFBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000569595480 519624211 /nfs/dbraw/zinc/62/42/11/519624211.db2.gz XUNHHCHPBOBTFZ-GDLVEWKHSA-N 1 0 355.822 2.520 20 5 FFBDRO O=[N+]([O-])c1cc(Br)cnc1N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000591444772 519626523 /nfs/dbraw/zinc/62/65/23/519626523.db2.gz TZPJRGDGTOGACK-MNOVXSKESA-N 1 0 355.236 2.578 20 5 FFBDRO [NH3+]CCCN(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccccc1F ZINC000612404001 519944051 /nfs/dbraw/zinc/94/40/51/519944051.db2.gz QWYOZOORWLTRRK-UHFFFAOYSA-N 1 0 361.373 2.861 20 5 FFBDRO Cn1cc(C[NH2+][C@]2(Cc3ccc(Cl)cc3)CCCOC2)c([N+](=O)[O-])n1 ZINC000602883242 519948141 /nfs/dbraw/zinc/94/81/41/519948141.db2.gz PYUNLFMCYVPLKW-KRWDZBQOSA-N 1 0 364.833 2.863 20 5 FFBDRO Cc1c(CNC(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000599918770 519949640 /nfs/dbraw/zinc/94/96/40/519949640.db2.gz QDYNEYKGNNXHMA-OLZOCXBDSA-N 1 0 374.363 2.572 20 5 FFBDRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000594417591 519954127 /nfs/dbraw/zinc/95/41/27/519954127.db2.gz CCRYPJQOOHITKG-QAPCUYQASA-N 1 0 369.425 2.732 20 5 FFBDRO CCN(C(=O)c1ccc([N+](=O)[O-])cc1Br)C1CC[NH+](C)CC1 ZINC000599986513 519985488 /nfs/dbraw/zinc/98/54/88/519985488.db2.gz WCYGDBJMVLZLDP-UHFFFAOYSA-N 1 0 370.247 2.914 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c(Cl)c1 ZINC000594483197 519992966 /nfs/dbraw/zinc/99/29/66/519992966.db2.gz CVLWAUGWVTYTPD-KBPBESRZSA-N 1 0 373.862 2.543 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1C ZINC000594484042 519993101 /nfs/dbraw/zinc/99/31/01/519993101.db2.gz QERPHDQMDQERJK-HUUCEWRRSA-N 1 0 367.471 2.507 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000591684117 519996236 /nfs/dbraw/zinc/99/62/36/519996236.db2.gz BZJYZHHYTOPKIZ-DZHLUBAWSA-N 1 0 355.822 2.518 20 5 FFBDRO CC[N@@H+]1CCCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2CC2CC2)CC1 ZINC000597406395 520006292 /nfs/dbraw/zinc/00/62/92/520006292.db2.gz IUTJFHXWPIMPTI-UHFFFAOYSA-N 1 0 370.457 2.795 20 5 FFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCc2c(nnn2C)C1 ZINC000594519822 520012333 /nfs/dbraw/zinc/01/23/33/520012333.db2.gz GIWWIRXYWQVCCM-CHWSQXEVSA-N 1 0 361.471 2.741 20 5 FFBDRO Cc1cccc(C)c1OC[C@H](O)C[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000591735590 520016021 /nfs/dbraw/zinc/01/60/21/520016021.db2.gz PZYHELRMDGMSKB-QGZVFWFLSA-N 1 0 360.410 2.620 20 5 FFBDRO O=C(CC[NH2+]C[C@H]1OCCc2ccccc21)Nc1ccccc1[N+](=O)[O-] ZINC000591739538 520017157 /nfs/dbraw/zinc/01/71/57/520017157.db2.gz CLZFRNZNUOCMEC-GOSISDBHSA-N 1 0 355.394 2.827 20 5 FFBDRO CCOc1ccc([C@@H]2C[C@H]2[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000591764652 520028084 /nfs/dbraw/zinc/02/80/84/520028084.db2.gz JEVGZXVUWKLXRL-BPQIPLTHSA-N 1 0 372.421 2.879 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)c1 ZINC000591764816 520028527 /nfs/dbraw/zinc/02/85/27/520028527.db2.gz ZBFHCDPQOZXJKC-SLEUVZQESA-N 1 0 371.224 2.605 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCCc2c(Cl)cccc2Cl)c1 ZINC000594574676 520034757 /nfs/dbraw/zinc/03/47/57/520034757.db2.gz HMVHGQDFACJCBE-GFCCVEGCSA-N 1 0 373.240 2.681 20 5 FFBDRO COc1cc(C[NH2+][C@H]2CO[C@H](C3CC3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000600205848 520123912 /nfs/dbraw/zinc/12/39/12/520123912.db2.gz AVRQOKGHIKOYRW-OCCSQVGLSA-N 1 0 372.368 2.904 20 5 FFBDRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000608852763 520145984 /nfs/dbraw/zinc/14/59/84/520145984.db2.gz FVIHPNGJTOODMG-LBPRGKRZSA-N 1 0 351.403 2.564 20 5 FFBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000597701657 520187054 /nfs/dbraw/zinc/18/70/54/520187054.db2.gz VSLHULJADCWVHO-NOZJJQNGSA-N 1 0 356.220 2.522 20 5 FFBDRO C[N@@H+]1CCCC[C@H](CNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000600311206 520197739 /nfs/dbraw/zinc/19/77/39/520197739.db2.gz OKQBIKFVZRYIIF-MRXNPFEDSA-N 1 0 374.485 2.659 20 5 FFBDRO C[N@@H+]1CCCC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000600312017 520198708 /nfs/dbraw/zinc/19/87/08/520198708.db2.gz DHUDJKJBYLLUHR-LLVKDONJSA-N 1 0 357.357 2.658 20 5 FFBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]CCc1noc3ccccc13)OCCO2 ZINC000594955113 520228095 /nfs/dbraw/zinc/22/80/95/520228095.db2.gz OEOJTLUNWSGCLX-UHFFFAOYSA-N 1 0 355.350 2.840 20 5 FFBDRO C[C@H]1COCC[N@@H+]1C1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000603399556 520247948 /nfs/dbraw/zinc/24/79/48/520247948.db2.gz CFJUYGBSCBMMCP-LBPRGKRZSA-N 1 0 371.384 2.886 20 5 FFBDRO O=[N+]([O-])c1cc2ccccc2nc1NC1CC[NH+](C2CCOCC2)CC1 ZINC000603408375 520251104 /nfs/dbraw/zinc/25/11/04/520251104.db2.gz NCAVTZADWQUTQA-UHFFFAOYSA-N 1 0 356.426 2.620 20 5 FFBDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000609346503 520289943 /nfs/dbraw/zinc/28/99/43/520289943.db2.gz INJPEQSSEOKAPK-HUUCEWRRSA-N 1 0 371.441 2.773 20 5 FFBDRO CCCN(C(=O)Nc1cc([N+](=O)[O-])ccc1OCC)[C@H]1CC[N@H+](C)C1 ZINC000592258741 520295876 /nfs/dbraw/zinc/29/58/76/520295876.db2.gz UHHTWOIJFGNXAP-AWEZNQCLSA-N 1 0 350.419 2.942 20 5 FFBDRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)CCO1 ZINC000592312346 520328118 /nfs/dbraw/zinc/32/81/18/520328118.db2.gz RPCYQNLBSHSOLR-ACJLOTCBSA-N 1 0 371.393 2.575 20 5 FFBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000592338176 520340885 /nfs/dbraw/zinc/34/08/85/520340885.db2.gz RLZJMWFXEKIBMC-IBGZPJMESA-N 1 0 368.437 2.790 20 5 FFBDRO CCN(C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CC[N@H+](C)C1 ZINC000597945589 520344683 /nfs/dbraw/zinc/34/46/83/520344683.db2.gz JCDDCGGZZKMXQX-CQSZACIVSA-N 1 0 360.439 2.885 20 5 FFBDRO C[C@H](CNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)[N@@H+]1CCCC[C@H]1C ZINC000609547774 520353540 /nfs/dbraw/zinc/35/35/40/520353540.db2.gz JIPGANJFJUELJK-CHWSQXEVSA-N 1 0 372.425 2.841 20 5 FFBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000595233816 520365502 /nfs/dbraw/zinc/36/55/02/520365502.db2.gz BYFXFDQQISYJOY-SFHVURJKSA-N 1 0 370.409 2.920 20 5 FFBDRO C[NH+](C)CCN(C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C1CCCC1 ZINC000609583029 520365532 /nfs/dbraw/zinc/36/55/32/520365532.db2.gz GMNYJRDMRPBVFC-UHFFFAOYSA-N 1 0 371.441 2.727 20 5 FFBDRO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H]1SC ZINC000592399302 520368281 /nfs/dbraw/zinc/36/82/81/520368281.db2.gz GENFCTUOCURZCO-OFSOMGBPSA-N 1 0 367.471 2.811 20 5 FFBDRO Cc1c(CC(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)cccc1[N+](=O)[O-] ZINC000595257400 520375876 /nfs/dbraw/zinc/37/58/76/520375876.db2.gz KCFGVLQDPSQUME-GOSISDBHSA-N 1 0 355.394 2.745 20 5 FFBDRO COc1ccc(CN(C)C2C[NH2+]C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000592434046 520389109 /nfs/dbraw/zinc/38/91/09/520389109.db2.gz CTKBLGDTMIVWJH-UHFFFAOYSA-N 1 0 357.410 2.586 20 5 FFBDRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595298056 520392473 /nfs/dbraw/zinc/39/24/73/520392473.db2.gz NZNARZINWSZKAL-HZPDHXFCSA-N 1 0 364.465 2.724 20 5 FFBDRO O=C(CN1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000592476028 520406065 /nfs/dbraw/zinc/40/60/65/520406065.db2.gz LPJUCLDLOUUNAY-OCCSQVGLSA-N 1 0 366.849 2.651 20 5 FFBDRO O=C1N[C@@H]2CCCC[C@@H]2C[C@@H]1[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000595331485 520412863 /nfs/dbraw/zinc/41/28/63/520412863.db2.gz VRFJLGUXYUKBPU-ZMYBRWDISA-N 1 0 373.453 2.885 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)cc1C ZINC000609708727 520412915 /nfs/dbraw/zinc/41/29/15/520412915.db2.gz OQJFFFXGBCAZDY-INIZCTEOSA-N 1 0 371.503 2.856 20 5 FFBDRO COc1cccc([C@H](CNc2ncnc3ccc([N+](=O)[O-])cc32)[NH+](C)C)c1 ZINC000609849599 520457261 /nfs/dbraw/zinc/45/72/61/520457261.db2.gz RBUUOYCVYZMYLE-SFHVURJKSA-N 1 0 367.409 2.683 20 5 FFBDRO O=C(NCc1ccccc1[N+](=O)[O-])NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000595446829 520475178 /nfs/dbraw/zinc/47/51/78/520475178.db2.gz IZSHHGPEMWFCBE-QGZVFWFLSA-N 1 0 354.410 2.669 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](CO)[C@@H](C)c1ccccc1 ZINC000613389708 520478618 /nfs/dbraw/zinc/47/86/18/520478618.db2.gz KUKDYLWBHFPWIJ-KBXCAEBGSA-N 1 0 357.410 2.596 20 5 FFBDRO C[C@H]([NH2+][C@@H](CO)[C@@H](C)c1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000613388984 520479708 /nfs/dbraw/zinc/47/97/08/520479708.db2.gz AYDMBNKEKICCSL-DEYYWGMASA-N 1 0 357.410 2.676 20 5 FFBDRO C[C@H](c1ccccc1)[C@@H](CO)[NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000613390192 520480773 /nfs/dbraw/zinc/48/07/73/520480773.db2.gz ZNSCEDMOZMZUJD-QWQRMKEZSA-N 1 0 357.410 2.676 20 5 FFBDRO C[C@H]1CCCN(c2ccc(C(=O)N[C@H]3CCC[N@H+](C)C3)cc2[N+](=O)[O-])C1 ZINC000604197930 520481244 /nfs/dbraw/zinc/48/12/44/520481244.db2.gz BTIWOZKUGOMFDK-HOCLYGCPSA-N 1 0 360.458 2.655 20 5 FFBDRO COc1ccc(-c2ccc(C[NH2+][C@H]3CC(=O)N(C(C)C)C3)o2)c([N+](=O)[O-])c1 ZINC000610010142 520505371 /nfs/dbraw/zinc/50/53/71/520505371.db2.gz XJCMXQMKKZLNDI-ZDUSSCGKSA-N 1 0 373.409 2.962 20 5 FFBDRO Cc1c(NC(=O)[C@@H](C)N2CCC[C@]3(CC[N@H+](C)C3)C2)cccc1[N+](=O)[O-] ZINC000595505524 520515122 /nfs/dbraw/zinc/51/51/22/520515122.db2.gz VOGAPSXVLLCXER-DNVCBOLYSA-N 1 0 360.458 2.648 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])C[C@@H]1C ZINC000610135242 520554571 /nfs/dbraw/zinc/55/45/71/520554571.db2.gz NLQKOJUTGKOLOF-GJZGRUSLSA-N 1 0 369.487 2.705 20 5 FFBDRO CCC[N@@H+]1CC[C@@H](NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000595585876 520570194 /nfs/dbraw/zinc/57/01/94/520570194.db2.gz SGHGPBJNNZCSNQ-CQSZACIVSA-N 1 0 354.838 2.574 20 5 FFBDRO Cn1ccnc1C(=O)c1ccc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000604473156 520571580 /nfs/dbraw/zinc/57/15/80/520571580.db2.gz ONDMLVHQYFYVCL-CABCVRRESA-N 1 0 369.425 2.598 20 5 FFBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 ZINC000610197835 520574670 /nfs/dbraw/zinc/57/46/70/520574670.db2.gz ANNYGBSWXJOTBI-AWEZNQCLSA-N 1 0 365.430 2.606 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H]2c2ccc(O)cc2)c1 ZINC000604484457 520574949 /nfs/dbraw/zinc/57/49/49/520574949.db2.gz OXEBWQAPJBAMPL-PKOBYXMFSA-N 1 0 358.394 2.877 20 5 FFBDRO CCN(CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H](C)C(=O)OC(C)(C)C ZINC000595599641 520583337 /nfs/dbraw/zinc/58/33/37/520583337.db2.gz ARAUUAUAYLYRSF-ZDUSSCGKSA-N 1 0 365.430 2.976 20 5 FFBDRO CCCN(C(=O)c1ccc([N+](=O)[O-])cc1Br)[C@@H]1CC[N@H+](C)C1 ZINC000592829603 520606629 /nfs/dbraw/zinc/60/66/29/520606629.db2.gz RWBRGTZUILYFBM-GFCCVEGCSA-N 1 0 370.247 2.914 20 5 FFBDRO CCCN(C(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CC[N@H+](C)C1 ZINC000592833219 520607976 /nfs/dbraw/zinc/60/79/76/520607976.db2.gz WRSXGMPYCOWGCC-TZMCWYRMSA-N 1 0 369.849 2.958 20 5 FFBDRO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000601122499 520646697 /nfs/dbraw/zinc/64/66/97/520646697.db2.gz XZDLQVGSEJPRRY-NSHDSACASA-N 1 0 361.368 2.802 20 5 FFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](n1cncn1)C(F)(F)F ZINC000601144376 520658042 /nfs/dbraw/zinc/65/80/42/520658042.db2.gz SSSTZLDWAAGRHX-RKXVYHDYSA-N 1 0 355.320 2.983 20 5 FFBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2c(F)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000601183152 520676098 /nfs/dbraw/zinc/67/60/98/520676098.db2.gz AGGBSJPQMMNTLM-ZFWWWQNUSA-N 1 0 367.421 2.601 20 5 FFBDRO COCc1ncc2c(n1)CCN(c1cc(C)[nH+]c3ccc([N+](=O)[O-])cc31)C2 ZINC000601208945 520687046 /nfs/dbraw/zinc/68/70/46/520687046.db2.gz RLEDKLJJYZVZBO-UHFFFAOYSA-N 1 0 365.393 2.951 20 5 FFBDRO C[C@@H](CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000593028118 520693069 /nfs/dbraw/zinc/69/30/69/520693069.db2.gz CUDZHXKAUSYCEP-AWEZNQCLSA-N 1 0 371.412 2.839 20 5 FFBDRO O=[N+]([O-])c1c2cccnc2ccc1N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000610489203 520711410 /nfs/dbraw/zinc/71/14/10/520711410.db2.gz MQMBMGHIOKGNKU-HNNXBMFYSA-N 1 0 356.426 2.834 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1CCC[C@H]1Cc1cnn(C)c1 ZINC000595772414 520713239 /nfs/dbraw/zinc/71/32/39/520713239.db2.gz SNXZNQLEWZDMSO-MAUKXSAKSA-N 1 0 371.441 2.576 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H]1CCC[C@H]1Cc1cnn(C)c1 ZINC000595774010 520714860 /nfs/dbraw/zinc/71/48/60/520714860.db2.gz ZAZJKSDKZDDWPT-JKSUJKDBSA-N 1 0 371.441 2.576 20 5 FFBDRO O=C(C[N@@H+]1CCC[C@@H]([C@H]2CCCCO2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000595788980 520725736 /nfs/dbraw/zinc/72/57/36/520725736.db2.gz ORIQCFFAMLUADY-VQIMIIECSA-N 1 0 373.453 2.765 20 5 FFBDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000595789891 520727793 /nfs/dbraw/zinc/72/77/93/520727793.db2.gz YJEBLZHYXCGISE-INIZCTEOSA-N 1 0 362.474 2.899 20 5 FFBDRO C[N@@H+]1CCN(CCOc2ccccc2[N+](=O)[O-])[C@H](Cc2ccccc2)C1 ZINC000593089374 520737356 /nfs/dbraw/zinc/73/73/56/520737356.db2.gz RZZLLTPQVZPYCR-GOSISDBHSA-N 1 0 355.438 2.832 20 5 FFBDRO COC(=O)c1ccnc(NC[C@@H]2CCC[N@H+](CC(C)C)C2)c1[N+](=O)[O-] ZINC000598607146 520738583 /nfs/dbraw/zinc/73/85/83/520738583.db2.gz ODHBMLVVHNOWDI-ZDUSSCGKSA-N 1 0 350.419 2.556 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](CCN1CCOCC1)CC1CC1 ZINC000595807412 520739765 /nfs/dbraw/zinc/73/97/65/520739765.db2.gz ITRASCDVYOPIBK-UHFFFAOYSA-N 1 0 363.458 2.538 20 5 FFBDRO O=C1CCCN1C[C@@H]1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000595828571 520750973 /nfs/dbraw/zinc/75/09/73/520750973.db2.gz LDYIODXPVHNRGR-CQSZACIVSA-N 1 0 370.409 2.694 20 5 FFBDRO C[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C[C@@H]1CCc2ccccc21 ZINC000595882214 520789755 /nfs/dbraw/zinc/78/97/55/520789755.db2.gz ZJNUHGMBYWTYNV-WMZOPIPTSA-N 1 0 356.422 2.996 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1C[C@H]([NH3+])CCc2ccccc21 ZINC000595903721 520809858 /nfs/dbraw/zinc/80/98/58/520809858.db2.gz BTDGSPIBMXKQNC-OAHLLOKOSA-N 1 0 354.410 2.622 20 5 FFBDRO COc1ccc(OCCN2C[C@@H]([NH3+])CCc3ccccc32)c([N+](=O)[O-])c1 ZINC000595904391 520811787 /nfs/dbraw/zinc/81/17/87/520811787.db2.gz XMPYTRHJFQGYRX-HNNXBMFYSA-N 1 0 357.410 2.762 20 5 FFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000595912029 520817401 /nfs/dbraw/zinc/81/74/01/520817401.db2.gz XVOVWPAKIAHOAN-ZMYBRWDISA-N 1 0 359.426 2.814 20 5 FFBDRO O=C(N1CC[C@H](N2CCC2)[C@@H](F)C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601537541 520831380 /nfs/dbraw/zinc/83/13/80/520831380.db2.gz FOCMONVYCUGQFX-IRXDYDNUSA-N 1 0 361.417 2.661 20 5 FFBDRO O=C(N[C@@H](C[NH+]1CCCCC1)c1ccccc1)c1ccc([N+](=O)[O-])cn1 ZINC000610771974 520837235 /nfs/dbraw/zinc/83/72/35/520837235.db2.gz UTYIPMUVWNZWEX-SFHVURJKSA-N 1 0 354.410 2.947 20 5 FFBDRO CC[NH+]1CCN(c2ccc(Nc3cc[nH]c(=O)c3[N+](=O)[O-])c(C)c2)CC1 ZINC000596055161 520882202 /nfs/dbraw/zinc/88/22/02/520882202.db2.gz OFGWRZXHXFDKDO-UHFFFAOYSA-N 1 0 357.414 2.889 20 5 FFBDRO COCC1([NH2+]Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)CCCCC1 ZINC000596057133 520883169 /nfs/dbraw/zinc/88/31/69/520883169.db2.gz GWOPKIISFPAHRD-UHFFFAOYSA-N 1 0 366.414 2.586 20 5 FFBDRO O=[N+]([O-])c1cc2c(cc1CNC[C@@H]1CCC[N@H+](CC3CC3)C1)OCCO2 ZINC000596058773 520886051 /nfs/dbraw/zinc/88/60/51/520886051.db2.gz JDHOJLITJQQJEX-HNNXBMFYSA-N 1 0 361.442 2.578 20 5 FFBDRO CO[C@H](C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000596065323 520889980 /nfs/dbraw/zinc/88/99/80/520889980.db2.gz DQXAKZYJBFPZRI-QGZVFWFLSA-N 1 0 370.471 2.553 20 5 FFBDRO NC(=O)c1cc(N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000596079654 520899374 /nfs/dbraw/zinc/89/93/74/520899374.db2.gz VBXNHWIODBTYRA-MRXNPFEDSA-N 1 0 354.410 2.770 20 5 FFBDRO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000598913802 520914364 /nfs/dbraw/zinc/91/43/64/520914364.db2.gz NUQNJNSYDMHMMP-OAHLLOKOSA-N 1 0 350.394 2.976 20 5 FFBDRO C[NH2+]C[C@H](C)NCc1ccc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000596103185 520914592 /nfs/dbraw/zinc/91/45/92/520914592.db2.gz BYKXPZYVWRFYLJ-AWEZNQCLSA-N 1 0 359.426 2.880 20 5 FFBDRO COCC[N@@H+]1CCC[C@H]1CNc1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl ZINC000596110598 520918495 /nfs/dbraw/zinc/91/84/95/520918495.db2.gz QLMTZGZPKKUPEW-NSHDSACASA-N 1 0 371.821 2.558 20 5 FFBDRO CC(C)c1n[nH]c(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000610951111 520918554 /nfs/dbraw/zinc/91/85/54/520918554.db2.gz GZESEVVKGXVFRX-OCCSQVGLSA-N 1 0 361.446 2.530 20 5 FFBDRO C[C@@]1(NC(=O)COc2ccc([N+](=O)[O-])cc2)CC[N@H+](Cc2ccccc2)C1 ZINC000593342470 520924426 /nfs/dbraw/zinc/92/44/26/520924426.db2.gz PJBOFHMWKGCYMT-HXUWFJFHSA-N 1 0 369.421 2.754 20 5 FFBDRO Cc1cc(OCC(=O)N2CCC(C)([NH+]3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000601739916 520927612 /nfs/dbraw/zinc/92/76/12/520927612.db2.gz SDCZNNNIXSAURX-UHFFFAOYSA-N 1 0 361.442 2.759 20 5 FFBDRO C[NH+](C)CCN(CCCc1ccccc1)c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596159168 520943785 /nfs/dbraw/zinc/94/37/85/520943785.db2.gz MRKMFSBWIVUYAZ-UHFFFAOYSA-N 1 0 370.453 2.695 20 5 FFBDRO C[C@H]1[C@H](Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)CC[N@@H+]1Cc1ccccc1 ZINC000596236442 520988916 /nfs/dbraw/zinc/98/89/16/520988916.db2.gz VVAVVEVENPRDAN-SUMWQHHRSA-N 1 0 354.410 2.769 20 5 FFBDRO Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)c3cc([N+](=O)[O-])cnc3C)C2)cc1 ZINC000601878479 521001469 /nfs/dbraw/zinc/00/14/69/521001469.db2.gz AFJLEAXPXFIUCW-MRXNPFEDSA-N 1 0 354.410 2.611 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)nccc2N1CC[NH+](CC2CCOCC2)CC1 ZINC000593462772 521009954 /nfs/dbraw/zinc/00/99/54/521009954.db2.gz ZBOVXPFNACLBSR-UHFFFAOYSA-N 1 0 356.426 2.692 20 5 FFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CCN1C1CCCC1 ZINC000599072878 521016744 /nfs/dbraw/zinc/01/67/44/521016744.db2.gz BDTXCARKOZXVRH-KBXCAEBGSA-N 1 0 360.458 2.918 20 5 FFBDRO CN1C(=O)c2ccccc2[C@@H]1C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000599075057 521017703 /nfs/dbraw/zinc/01/77/03/521017703.db2.gz ROLHBGFIPBVTTK-ULQDDVLXSA-N 1 0 369.425 2.692 20 5 FFBDRO C[NH+](C)C1(CNC(=O)c2c(Br)cccc2[N+](=O)[O-])CCCC1 ZINC000599082945 521021859 /nfs/dbraw/zinc/02/18/59/521021859.db2.gz LZSYMKRIGRXZCO-UHFFFAOYSA-N 1 0 370.247 2.962 20 5 FFBDRO C[NH+](C)Cc1cccc(NCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)c1 ZINC000601930084 521031770 /nfs/dbraw/zinc/03/17/70/521031770.db2.gz FMELSMJNDAKLRF-UHFFFAOYSA-N 1 0 354.410 2.658 20 5 FFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000611197487 521033988 /nfs/dbraw/zinc/03/39/88/521033988.db2.gz HQMOUNHMIQRXOM-UHFFFAOYSA-N 1 0 369.421 2.733 20 5 FFBDRO C[N@@H+](Cc1ccccc1)C[C@H](O)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000611198205 521034141 /nfs/dbraw/zinc/03/41/41/521034141.db2.gz ZDDMLCAYTMUCNR-FQEVSTJZSA-N 1 0 366.421 2.951 20 5 FFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[N@H+](CCOC)C1 ZINC000611204216 521034643 /nfs/dbraw/zinc/03/46/43/521034643.db2.gz CCIVAQAEFPCPKX-CYBMUJFWSA-N 1 0 367.471 2.547 20 5 FFBDRO CN(C(=O)CN1CC[C@@H](C[NH3+])c2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000601965207 521045373 /nfs/dbraw/zinc/04/53/73/521045373.db2.gz WXQSRXXVSYCMHY-AWEZNQCLSA-N 1 0 354.410 2.510 20 5 FFBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCCS(=O)(=O)CC2)cc(C(F)(F)F)c1 ZINC000602017552 521080340 /nfs/dbraw/zinc/08/03/40/521080340.db2.gz PBKPMWFCJYAKBP-LBPRGKRZSA-N 1 0 366.361 2.671 20 5 FFBDRO Cn1ccnc1[C@@H](N[C@@H]1CC[NH2+]CC(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000602023517 521084317 /nfs/dbraw/zinc/08/43/17/521084317.db2.gz YVCWCIGIOUADBV-WBVHZDCISA-N 1 0 357.458 2.786 20 5 FFBDRO Cn1ccnc1[C@H](N[C@@H]1CC[NH2+]CC(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000602023514 521084849 /nfs/dbraw/zinc/08/48/49/521084849.db2.gz YVCWCIGIOUADBV-NVXWUHKLSA-N 1 0 357.458 2.786 20 5 FFBDRO CC(C)(C)OC(=O)CCCC[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611346644 521110607 /nfs/dbraw/zinc/11/06/07/521110607.db2.gz ADQIFHDGMCHZCH-UHFFFAOYSA-N 1 0 366.414 2.968 20 5 FFBDRO Cc1cc(N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000596537424 521122446 /nfs/dbraw/zinc/12/24/46/521122446.db2.gz FRKCCELBELLYQO-CYBMUJFWSA-N 1 0 373.375 2.957 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(N2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c1 ZINC000611370591 521123635 /nfs/dbraw/zinc/12/36/35/521123635.db2.gz KQBZHIMMTBZIEK-HUUCEWRRSA-N 1 0 363.458 2.929 20 5 FFBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000599289201 521129116 /nfs/dbraw/zinc/12/91/16/521129116.db2.gz BHRCVAAVEWQXBV-SNVBAGLBSA-N 1 0 356.220 2.524 20 5 FFBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599288899 521129305 /nfs/dbraw/zinc/12/93/05/521129305.db2.gz YPLLXYPJYDFXRV-SNVBAGLBSA-N 1 0 358.236 2.817 20 5 FFBDRO COC(=O)Cc1ccc(NC[C@H]2CC[N@@H+]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000596558306 521130706 /nfs/dbraw/zinc/13/07/06/521130706.db2.gz QDNVZBQVLFGKSU-QGZVFWFLSA-N 1 0 369.421 2.997 20 5 FFBDRO CC1(C)Cc2n[nH]cc2C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000596598128 521157639 /nfs/dbraw/zinc/15/76/39/521157639.db2.gz BVJXAICLCWMERS-UHFFFAOYSA-N 1 0 357.414 2.731 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H](OC(F)F)C1 ZINC000611579335 521231775 /nfs/dbraw/zinc/23/17/75/521231775.db2.gz VLTRMUIDJJTFAF-GFCCVEGCSA-N 1 0 373.356 2.636 20 5 FFBDRO C[N@@H+]1CCC[C@H](NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000618806530 521246690 /nfs/dbraw/zinc/24/66/90/521246690.db2.gz PUJLJXFMYDPXSR-LBPRGKRZSA-N 1 0 360.336 2.507 20 5 FFBDRO O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000593909965 521285544 /nfs/dbraw/zinc/28/55/44/521285544.db2.gz OQWGRTIILLVFIE-DJJJIMSYSA-N 1 0 369.377 2.562 20 5 FFBDRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000593920150 521292386 /nfs/dbraw/zinc/29/23/86/521292386.db2.gz YKNBVUYGEUCHJJ-HFBAOOFYSA-N 1 0 367.833 2.749 20 5 FFBDRO O=[N+]([O-])c1ccc2ncnc(NC3CC[NH+]([C@@H]4CCCC[C@H]4O)CC3)c2c1 ZINC000611712057 521294301 /nfs/dbraw/zinc/29/43/01/521294301.db2.gz UZNPUSDZKMDSJM-QZTJIDSGSA-N 1 0 371.441 2.718 20 5 FFBDRO C[C@@H]1C[C@H](N(C)C(=O)c2c(Br)cccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000599567841 521303924 /nfs/dbraw/zinc/30/39/24/521303924.db2.gz POBTVZMUECJYRO-GHMZBOCLSA-N 1 0 370.247 2.912 20 5 FFBDRO COc1ccc(NC(=O)NC[C@@H]2CC[N@@H+]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000596828956 521314873 /nfs/dbraw/zinc/31/48/73/521314873.db2.gz OUWKNHYMRYAOTM-INIZCTEOSA-N 1 0 370.409 2.999 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2C[C@@H](c3cnn(C)c3)C(C)(C)C2)c1 ZINC000593998004 521338788 /nfs/dbraw/zinc/33/87/88/521338788.db2.gz MJISEABPUVJTMR-INIZCTEOSA-N 1 0 372.425 2.741 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[N@H+](C)C3(CCCCC3)C2)c1 ZINC000593998364 521338981 /nfs/dbraw/zinc/33/89/81/521338981.db2.gz YIPUHDFFFMFLGK-UHFFFAOYSA-N 1 0 361.442 2.832 20 5 FFBDRO COC(=O)[C@]12C[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C[C@H]1CCCC2 ZINC000594016291 521349356 /nfs/dbraw/zinc/34/93/56/521349356.db2.gz KNLBGSXHJWBAIE-KZULUSFZSA-N 1 0 358.398 2.636 20 5 FFBDRO CC[C@H]([NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)[C@@H]1CCCCO1 ZINC000594042684 521369302 /nfs/dbraw/zinc/36/93/02/521369302.db2.gz NFZVLZIVYZRZOH-HOCLYGCPSA-N 1 0 363.414 2.830 20 5 FFBDRO [NH3+]CC[C@@H]1CCCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000602488888 521375674 /nfs/dbraw/zinc/37/56/74/521375674.db2.gz BJBBTOITCMLMKU-JTQLQIEISA-N 1 0 356.220 2.558 20 5 FFBDRO C[C@H]1C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC2(CCCCC2)O1 ZINC000594058298 521377977 /nfs/dbraw/zinc/37/79/77/521377977.db2.gz RLHPVRQWPFRBJT-RDJZCZTQSA-N 1 0 364.442 2.758 20 5 FFBDRO COCc1ccc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1 ZINC000602504593 521385004 /nfs/dbraw/zinc/38/50/04/521385004.db2.gz ACKSOPFIRCHIHN-UHFFFAOYSA-N 1 0 356.426 2.895 20 5 FFBDRO O=C(Nc1nc(C2CC[NH2+]CC2)cs1)c1c(F)cccc1[N+](=O)[O-] ZINC000602511579 521388120 /nfs/dbraw/zinc/38/81/20/521388120.db2.gz OWWYMPVBLUUVLR-UHFFFAOYSA-N 1 0 350.375 2.910 20 5 FFBDRO CC(C)([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc2ccccc2c1 ZINC000599672116 521388604 /nfs/dbraw/zinc/38/86/04/521388604.db2.gz ASFWYDFNLINVGR-SFHVURJKSA-N 1 0 354.410 2.830 20 5 FFBDRO C[C@@H](CN1CCCC1=O)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602519370 521393173 /nfs/dbraw/zinc/39/31/73/521393173.db2.gz XQYPJQHKDUCRRL-QMMMGPOBSA-N 1 0 362.249 2.519 20 5 FFBDRO O=C(N[C@@H]1CC[NH2+]C12CCC2)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000602529538 521396269 /nfs/dbraw/zinc/39/62/69/521396269.db2.gz GFDNEOORCJJGFZ-CYBMUJFWSA-N 1 0 373.331 2.550 20 5 FFBDRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000602530956 521396476 /nfs/dbraw/zinc/39/64/76/521396476.db2.gz UAYJVXBIOVZJOS-HNNXBMFYSA-N 1 0 360.439 2.788 20 5 FFBDRO O=[N+]([O-])c1sc(C[NH2+]CCOC[C@H]2CCOC2)cc1Br ZINC000602534863 521398725 /nfs/dbraw/zinc/39/87/25/521398725.db2.gz LDCRPPDILPRPFQ-VIFPVBQESA-N 1 0 365.249 2.562 20 5 FFBDRO CCc1ccc(C(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000602542125 521403027 /nfs/dbraw/zinc/40/30/27/521403027.db2.gz UDECNSKHNLNXPR-OLZOCXBDSA-N 1 0 359.348 2.757 20 5 FFBDRO O=[N+]([O-])c1sc(C[NH2+]CCCO[C@@H]2CCOC2)cc1Br ZINC000602566491 521413609 /nfs/dbraw/zinc/41/36/09/521413609.db2.gz DONRXSZYRMTNAX-SECBINFHSA-N 1 0 365.249 2.704 20 5 FFBDRO COC[C@@H](Cc1ccccc1)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602565577 521414022 /nfs/dbraw/zinc/41/40/22/521414022.db2.gz SRZHYJOCUMCOLT-GOSISDBHSA-N 1 0 370.453 2.806 20 5 FFBDRO COc1ccc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c(F)c1 ZINC000602567784 521415066 /nfs/dbraw/zinc/41/50/66/521415066.db2.gz JUALOZVLCYVACZ-UHFFFAOYSA-N 1 0 360.389 2.896 20 5 FFBDRO Cn1ncc(C(=O)OC(C)(C)C)c1C[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000602580318 521421892 /nfs/dbraw/zinc/42/18/92/521421892.db2.gz LUTHWZUPZJTBHU-UHFFFAOYSA-N 1 0 360.414 2.616 20 5 FFBDRO Cc1cccc2[nH]c(C[NH2+]C3CCN(c4ccc([N+](=O)[O-])nc4)CC3)nc21 ZINC000602579824 521421932 /nfs/dbraw/zinc/42/19/32/521421932.db2.gz KTAFLJDUCFXIAW-UHFFFAOYSA-N 1 0 366.425 2.933 20 5 FFBDRO C[C@H](CC[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)[S@](C)=O ZINC000602593469 521429416 /nfs/dbraw/zinc/42/94/16/521429416.db2.gz LXCLTNMZFXKQLB-MDTSDYNXSA-N 1 0 355.279 2.666 20 5 FFBDRO CC(C)Cn1ccnc1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602594001 521429585 /nfs/dbraw/zinc/42/95/85/521429585.db2.gz NWMBINCTHHXHKW-UHFFFAOYSA-N 1 0 358.446 2.601 20 5 FFBDRO C[C@@H]1OCC[C@]12C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)C[C@@H](C)O2 ZINC000619175820 521433248 /nfs/dbraw/zinc/43/32/48/521433248.db2.gz QAJGADKAROAKEV-VKJFTORMSA-N 1 0 350.415 2.632 20 5 FFBDRO CC1(C)CCCN(CC[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000602637989 521451898 /nfs/dbraw/zinc/45/18/98/521451898.db2.gz PVNNQKKCKCTMDT-UHFFFAOYSA-N 1 0 361.490 2.670 20 5 FFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1CNC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000602717881 521493341 /nfs/dbraw/zinc/49/33/41/521493341.db2.gz JPIOXBWLOMFLQG-OAHLLOKOSA-N 1 0 373.375 2.957 20 5 FFBDRO C[NH+](C)C1CCC(NC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)CC1 ZINC000597090978 521495808 /nfs/dbraw/zinc/49/58/08/521495808.db2.gz SNDYCXISCLYXMX-UHFFFAOYSA-N 1 0 355.826 2.825 20 5 FFBDRO Nc1c(NC(=O)NC2CC[NH+](C3CCC3)CC2)cc(Cl)cc1[N+](=O)[O-] ZINC000597090827 521496380 /nfs/dbraw/zinc/49/63/80/521496380.db2.gz SHQDVJAXZBUTEB-UHFFFAOYSA-N 1 0 367.837 2.969 20 5 FFBDRO Nc1c(NC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cc(Cl)cc1[N+](=O)[O-] ZINC000597096466 521503571 /nfs/dbraw/zinc/50/35/71/521503571.db2.gz AMHAIVZIMQRHGV-LLVKDONJSA-N 1 0 367.837 2.780 20 5 FFBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)C1 ZINC000597105077 521508716 /nfs/dbraw/zinc/50/87/16/521508716.db2.gz VYUWPAAJCQLOQU-JTQLQIEISA-N 1 0 355.826 2.636 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H](C3CCC3)[C@H]3CCCO3)CC2)cn1 ZINC000602743763 521509990 /nfs/dbraw/zinc/50/99/90/521509990.db2.gz UFOSJTOMAZOAMX-IEBWSBKVSA-N 1 0 360.458 2.896 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CCN1CC[NH+](C2CCC(C(C)C)CC2)CC1 ZINC000602787752 521533085 /nfs/dbraw/zinc/53/30/85/521533085.db2.gz JKRVIMIMDXYLKZ-UHFFFAOYSA-N 1 0 363.506 2.932 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H]1Cn1c(C)nc2ccccc21 ZINC000602795361 521537871 /nfs/dbraw/zinc/53/78/71/521537871.db2.gz MOSONJVRTASLOL-MRXNPFEDSA-N 1 0 368.441 2.922 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000602826204 521554902 /nfs/dbraw/zinc/55/49/02/521554902.db2.gz MYGLKDFFLBHNMZ-HNNXBMFYSA-N 1 0 358.446 2.512 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000602834300 521560861 /nfs/dbraw/zinc/56/08/61/521560861.db2.gz YKLOTPVMLQSGHR-KURKYZTESA-N 1 0 356.426 2.604 20 5 FFBDRO COC(=O)[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C1 ZINC000597217235 521580658 /nfs/dbraw/zinc/58/06/58/521580658.db2.gz AWQDNFQZWJPETI-TXEJJXNPSA-N 1 0 360.366 2.905 20 5 FFBDRO Nc1cc(NC[C@H](c2cccs2)[NH+]2CCCC2)cc(CO)c1[N+](=O)[O-] ZINC000619570088 521773836 /nfs/dbraw/zinc/77/38/36/521773836.db2.gz KENLQFZBRCSCCW-OAHLLOKOSA-N 1 0 362.455 2.980 20 5 FFBDRO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824600200 609150543 /nfs/dbraw/zinc/15/05/43/609150543.db2.gz XTIQGRBEACPCBO-LLVKDONJSA-N 1 0 372.360 2.644 20 5 FFBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824607500 609333517 /nfs/dbraw/zinc/33/35/17/609333517.db2.gz ZFWAAMUZVQFDPJ-NSHDSACASA-N 1 0 356.361 2.807 20 5 FFBDRO [NH3+]C1([C@@H]2CN(C(F)(F)c3ccc([N+](=O)[O-])c(Cl)n3)C[C@H]2CF)CC1 ZINC001164628856 719116995 /nfs/dbraw/zinc/11/69/95/719116995.db2.gz PBFYZOMLCVHQBC-RKDXNWHRSA-N 1 0 364.755 2.701 20 5 FFBDRO C[N@@H+]1CCO[C@@H]2CN(c3ccc4ccc5ccc(Cl)nc5c4n3)C[C@@H]21 ZINC001164671919 719396840 /nfs/dbraw/zinc/39/68/40/719396840.db2.gz ZWAGWDILYQGQTP-LSDHHAIUSA-N 1 0 354.841 2.956 20 5 FFBDRO O=[N+]([O-])c1cc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)nc2[nH]ccc21 ZINC001164732940 720413521 /nfs/dbraw/zinc/41/35/21/720413521.db2.gz OWDBUASTGOEGRH-CVEARBPZSA-N 1 0 364.409 2.719 20 5 FFBDRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC001164735196 720522370 /nfs/dbraw/zinc/52/23/70/720522370.db2.gz WCCYFYDBFRBFGS-AWEZNQCLSA-N 1 0 366.425 2.538 20 5 FFBDRO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1ccc2ccc3cccnc3c2n1 ZINC001164926758 721855268 /nfs/dbraw/zinc/85/52/68/721855268.db2.gz JFJNMFVORBXGNZ-RBUKOAKNSA-N 1 0 361.493 2.998 20 5 FFBDRO CC[NH+](CC)C[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000159097448 728900725 /nfs/dbraw/zinc/90/07/25/728900725.db2.gz BZGWJFCBUYKJFP-SNVBAGLBSA-N 1 0 358.236 2.817 20 5 FFBDRO COCCO[C@]12CCC[C@@]1([NH2+]Cc1cccc([N+](=O)[O-])c1C)CCO2 ZINC000897997490 735301798 /nfs/dbraw/zinc/30/17/98/735301798.db2.gz DVPFLUKEHNGLRU-QZTJIDSGSA-N 1 0 350.415 2.695 20 5 FFBDRO Cc1ccc([C@@H](CNS(=O)(=O)c2csc([N+](=O)[O-])c2)N(C)C)cc1 ZINC000119661206 728598229 /nfs/dbraw/zinc/59/82/29/728598229.db2.gz SEXOTKIMWZGCQB-CQSZACIVSA-N 1 0 369.468 2.546 20 5 FFBDRO C[C@H](NS(=O)(=O)c1csc([N+](=O)[O-])c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000120308402 728609630 /nfs/dbraw/zinc/60/96/30/728609630.db2.gz IFHZWWMZUHARGS-RYUDHWBXSA-N 1 0 373.500 2.588 20 5 FFBDRO CC[NH+](CC)[C@H](C)CNC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000132589878 728724860 /nfs/dbraw/zinc/72/48/60/728724860.db2.gz COMQIHYWIQYLJX-SNVBAGLBSA-N 1 0 352.391 2.580 20 5 FFBDRO C[N@H+](CCCNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C1CCCCC1 ZINC000194341913 729507661 /nfs/dbraw/zinc/50/76/61/729507661.db2.gz MEICAUWYOPTUOO-UHFFFAOYSA-N 1 0 373.450 2.667 20 5 FFBDRO [NH3+]C1CCC(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])CC1 ZINC000237858241 729564452 /nfs/dbraw/zinc/56/44/52/729564452.db2.gz PJGJYAJNVRHEGJ-UHFFFAOYSA-N 1 0 361.320 2.536 20 5 FFBDRO O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000424024878 729862063 /nfs/dbraw/zinc/86/20/63/729862063.db2.gz HXUHMWNSPXWCHB-QGZVFWFLSA-N 1 0 358.423 2.686 20 5 FFBDRO C[C@@H](CC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)NC(=O)OC(C)(C)C ZINC000857242166 730387000 /nfs/dbraw/zinc/38/70/00/730387000.db2.gz TXEDQERERRECIJ-WFASDCNBSA-N 1 0 353.419 2.521 20 5 FFBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000859901236 730468805 /nfs/dbraw/zinc/46/88/05/730468805.db2.gz JPTCFXOKEKWXAP-MNOVXSKESA-N 1 0 370.247 2.960 20 5 FFBDRO CO[C@H]1C[N@H+](C)[C@](C)(COC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000861345979 730602030 /nfs/dbraw/zinc/60/20/30/730602030.db2.gz BXUMUVXWNGKSAY-QAPCUYQASA-N 1 0 350.415 2.525 20 5 FFBDRO CC[NH+]1CCC(NC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000864610965 730864948 /nfs/dbraw/zinc/86/49/48/730864948.db2.gz WCYUFJMMCLUAON-UHFFFAOYSA-N 1 0 370.247 2.500 20 5 FFBDRO O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000868145102 731263376 /nfs/dbraw/zinc/26/33/76/731263376.db2.gz JSMPWOQGODZHFD-WCQYABFASA-N 1 0 358.320 2.972 20 5 FFBDRO Cc1c([C@@H](C)[NH2+]CC2C[C@H]3CC[C@@H](C2)S3(=O)=O)cccc1[N+](=O)[O-] ZINC000872119759 731731401 /nfs/dbraw/zinc/73/14/01/731731401.db2.gz JJKWNNOEMQTDPY-FFHGMXDLSA-N 1 0 352.456 2.910 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000873130043 731878528 /nfs/dbraw/zinc/87/85/28/731878528.db2.gz YFNRYZGEYZBUAR-CQSZACIVSA-N 1 0 360.435 2.872 20 5 FFBDRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000874839250 732106386 /nfs/dbraw/zinc/10/63/86/732106386.db2.gz UPBQAJVRTYQZAX-ZIAGYGMSSA-N 1 0 367.833 2.712 20 5 FFBDRO C[C@@H](COc1ccc(F)cc1F)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000876968761 732304912 /nfs/dbraw/zinc/30/49/12/732304912.db2.gz SYIBJNIGPHPCIB-PKSQDBQZSA-N 1 0 352.341 2.830 20 5 FFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1CNC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000877021418 732313533 /nfs/dbraw/zinc/31/35/33/732313533.db2.gz BFZAZCJXPZDUKH-KBPBESRZSA-N 1 0 359.348 2.566 20 5 FFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CCNc3ncc(Cl)cc3Cl)C2)c1 ZINC000877051546 732317752 /nfs/dbraw/zinc/31/77/52/732317752.db2.gz MNVINLYJZIMNTL-UHFFFAOYSA-N 1 0 371.228 2.898 20 5 FFBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877279218 732340061 /nfs/dbraw/zinc/34/00/61/732340061.db2.gz XIRIFAZJZLHZBT-VXGBXAGGSA-N 1 0 355.847 2.693 20 5 FFBDRO O=C(N[C@]12CCC[C@H]1[NH2+]CC2)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000877393089 732356695 /nfs/dbraw/zinc/35/66/95/732356695.db2.gz PCRNBCQZUJPUCZ-PBHICJAKSA-N 1 0 358.423 2.733 20 5 FFBDRO CC(C)[C@@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])[C@H](O)c1ccc(Cl)cc1 ZINC000878996901 732629033 /nfs/dbraw/zinc/62/90/33/732629033.db2.gz QCLKHAOSOBJGFF-HUUCEWRRSA-N 1 0 352.822 2.830 20 5 FFBDRO CO[C@]1(C(F)(F)F)CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000880304952 732883726 /nfs/dbraw/zinc/88/37/26/732883726.db2.gz UKWFVAUJDDFKNJ-CQSZACIVSA-N 1 0 361.320 2.577 20 5 FFBDRO O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCCN(c2cc[nH+]cc2)CC1 ZINC000880390588 732901064 /nfs/dbraw/zinc/90/10/64/732901064.db2.gz UGIRJRPTYNSDBX-UHFFFAOYSA-N 1 0 360.801 2.996 20 5 FFBDRO CC1([NH+]2CCC2)CCN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000880472894 732912270 /nfs/dbraw/zinc/91/22/70/732912270.db2.gz HSQAMSKMSWYKOC-UHFFFAOYSA-N 1 0 366.849 2.747 20 5 FFBDRO O=C(C[NH2+][C@@H]1CCC[C@]12CCCO2)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000880505740 732915635 /nfs/dbraw/zinc/91/56/35/732915635.db2.gz DSUOVGSQPXGKCU-ZBFHGGJFSA-N 1 0 353.806 2.878 20 5 FFBDRO C[C@H](C[C@@H]1CCC(=O)N1)[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000926849055 738661360 /nfs/dbraw/zinc/66/13/60/738661360.db2.gz GKZAGNMDEWWYGI-SKDRFNHKSA-N 1 0 356.220 2.504 20 5 FFBDRO C[N@@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2Br)CCC1(C)C ZINC000881388931 733047699 /nfs/dbraw/zinc/04/76/99/733047699.db2.gz SWYJWGXILIGHAL-UHFFFAOYSA-N 1 0 370.247 2.914 20 5 FFBDRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000881466476 733058465 /nfs/dbraw/zinc/05/84/65/733058465.db2.gz XIRIIRASFGQBJF-RYUDHWBXSA-N 1 0 368.231 2.666 20 5 FFBDRO O=[N+]([O-])c1c(N2CCC([N@@H+]3CC[C@H](O)C3)CC2)cccc1C(F)(F)F ZINC000884560365 733539431 /nfs/dbraw/zinc/53/94/31/733539431.db2.gz VSLWREXYEZSOBF-LBPRGKRZSA-N 1 0 359.348 2.649 20 5 FFBDRO COc1ccc(C[NH2+]C[C@@H]2CC[C@]3(CO[C@H](C)[C@@H]3C)O2)cc1[N+](=O)[O-] ZINC000886340332 733775799 /nfs/dbraw/zinc/77/57/99/733775799.db2.gz FJZPPDNNKNFZBU-SCGCMHLBSA-N 1 0 350.415 2.666 20 5 FFBDRO O=[N+]([O-])c1ccccc1-c1nc(-c2cn(C3CC[NH2+]CC3)nn2)cs1 ZINC000887486523 733935691 /nfs/dbraw/zinc/93/56/91/733935691.db2.gz RXDJTXFVSYTDIK-UHFFFAOYSA-N 1 0 356.411 2.901 20 5 FFBDRO CCOc1cc(NC(=O)N2CC[C@@H](C[N@H+](C)CC)C2)ccc1[N+](=O)[O-] ZINC000888834753 734103812 /nfs/dbraw/zinc/10/38/12/734103812.db2.gz PSKLQOVGECGRHK-ZDUSSCGKSA-N 1 0 350.419 2.799 20 5 FFBDRO CC(C)(C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)c1ccccc1[N+](=O)[O-] ZINC000928079376 738816834 /nfs/dbraw/zinc/81/68/34/738816834.db2.gz IOMJWIRWDDRDDB-GDBMZVCRSA-N 1 0 363.483 2.568 20 5 FFBDRO O=[N+]([O-])c1ccc(CNCC2([NH+]3CCCC3)CCOCC2)cc1Cl ZINC000783621098 738820046 /nfs/dbraw/zinc/82/00/46/738820046.db2.gz YABVRRJRNMZXHA-UHFFFAOYSA-N 1 0 353.850 2.983 20 5 FFBDRO C[C@@]1(NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C[NH+]2CCC1CC2 ZINC000892768584 734601499 /nfs/dbraw/zinc/60/14/99/734601499.db2.gz KQFIYAVKAUEJEU-MRXNPFEDSA-N 1 0 355.797 2.530 20 5 FFBDRO Cc1cc(N2CCC(O)(C[NH+](C)C)CC2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000894954330 734942870 /nfs/dbraw/zinc/94/28/70/734942870.db2.gz AJCPMIDOZPSYMA-UHFFFAOYSA-N 1 0 361.364 2.815 20 5 FFBDRO CC(C)[N@H+](C)CC1CCN(Cn2cc(Br)c([N+](=O)[O-])n2)CC1 ZINC000738089723 735021083 /nfs/dbraw/zinc/02/10/83/735021083.db2.gz LCDMOWYMYYILFL-UHFFFAOYSA-N 1 0 374.283 2.564 20 5 FFBDRO COc1c(O)ccc(C[NH2+]CC[C@H]2CC[C@H](C(F)(F)F)O2)c1[N+](=O)[O-] ZINC000896810520 735184386 /nfs/dbraw/zinc/18/43/86/735184386.db2.gz VWBPGUSJUGRXDG-ZYHUDNBSSA-N 1 0 364.320 2.899 20 5 FFBDRO O=[N+]([O-])c1c(N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)cccc1C(F)(F)F ZINC000897216013 735207142 /nfs/dbraw/zinc/20/71/42/735207142.db2.gz GRBYLLJFFFBNES-OLZOCXBDSA-N 1 0 359.348 2.649 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)cc1C(F)(F)F ZINC000897221196 735208098 /nfs/dbraw/zinc/20/80/98/735208098.db2.gz JFFGCOWIDLFFBF-GJZGRUSLSA-N 1 0 359.348 2.649 20 5 FFBDRO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1CCC(C[NH+](C)C)CC1 ZINC000742392991 735235469 /nfs/dbraw/zinc/23/54/69/735235469.db2.gz BDZITEZGTGGDLC-UHFFFAOYSA-N 1 0 353.394 2.689 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)S3)cc1[N+](=O)[O-] ZINC000897748827 735273148 /nfs/dbraw/zinc/27/31/48/735273148.db2.gz HCVDSZGPHGVXLI-AGUYFDCRSA-N 1 0 366.439 2.663 20 5 FFBDRO C[NH+](C)[C@@]1(CNC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)CCSC1 ZINC000900947392 735724866 /nfs/dbraw/zinc/72/48/66/735724866.db2.gz ZWJLCUMSWAPGQR-CQSZACIVSA-N 1 0 361.826 2.554 20 5 FFBDRO C[NH+](C)C1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CC1 ZINC000754627384 736181001 /nfs/dbraw/zinc/18/10/01/736181001.db2.gz CDOUXFPOIWDART-UHFFFAOYSA-N 1 0 374.210 2.663 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F ZINC000905058728 736290711 /nfs/dbraw/zinc/29/07/11/736290711.db2.gz IYBOIUJPFSTSHA-NSHDSACASA-N 1 0 358.263 2.642 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@@H]2CCSC3(CCC3)C2)c1 ZINC000905599847 736367017 /nfs/dbraw/zinc/36/70/17/736367017.db2.gz DMASGIAIRURDTL-HIFRSBDPSA-N 1 0 352.456 2.742 20 5 FFBDRO CC1CC[NH+](CCNC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000756921464 736373413 /nfs/dbraw/zinc/37/34/13/736373413.db2.gz XAYZYVYITHLESD-UHFFFAOYSA-N 1 0 354.838 2.779 20 5 FFBDRO CC(C)C[NH+]1CCN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000757256137 736398968 /nfs/dbraw/zinc/39/89/68/736398968.db2.gz LHNIJUZFCKPEKH-UHFFFAOYSA-N 1 0 354.838 2.731 20 5 FFBDRO CS[C@@H]1CN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C[C@@H]1[NH+]1CCCC1 ZINC000758790909 736521371 /nfs/dbraw/zinc/52/13/71/736521371.db2.gz IVVJOPQPNUCKBN-HYHHROLSSA-N 1 0 361.467 2.646 20 5 FFBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=S)NCC1CC[NH+](C)CC1 ZINC000760467165 736641271 /nfs/dbraw/zinc/64/12/71/736641271.db2.gz CBSITBKMVXAIKI-UHFFFAOYSA-N 1 0 370.906 2.896 20 5 FFBDRO CC[N@@H+]1C[C@@H](C)N(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000766253168 737212640 /nfs/dbraw/zinc/21/26/40/737212640.db2.gz JATYXDAGLZYRPN-NWDGAFQWSA-N 1 0 354.838 2.601 20 5 FFBDRO CC(C)(C)OC(=O)[C@H]1CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000766950827 737278764 /nfs/dbraw/zinc/27/87/64/737278764.db2.gz RFGKUNGYFOUJEF-HOCLYGCPSA-N 1 0 350.415 2.682 20 5 FFBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CCCN(C(=O)OC)C2)cc1[N+](=O)[O-] ZINC000768100921 737397630 /nfs/dbraw/zinc/39/76/30/737397630.db2.gz GCCFGXFNHAXKBF-JSGCOSHPSA-N 1 0 351.403 2.875 20 5 FFBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)OCC[NH+]1CCCCC1 ZINC000770406680 737623571 /nfs/dbraw/zinc/62/35/71/737623571.db2.gz CLXMZEZYYNAYJT-UHFFFAOYSA-N 1 0 368.455 2.976 20 5 FFBDRO CC[C@H]([NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CCOCC1 ZINC000776029408 738153991 /nfs/dbraw/zinc/15/39/91/738153991.db2.gz KUXFBRKAWDNRPL-AWEZNQCLSA-N 1 0 355.822 2.982 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)CN2CC[NH+](CCc3cccs3)CC2)cc1 ZINC000776278239 738176985 /nfs/dbraw/zinc/17/69/85/738176985.db2.gz SNWYMUOJPBMUJG-GOSISDBHSA-N 1 0 361.467 2.550 20 5 FFBDRO COc1cc(C[NH2+]C[C@H]2CCC[C@H](C(F)(F)F)O2)c([N+](=O)[O-])cc1O ZINC000922694178 738186913 /nfs/dbraw/zinc/18/69/13/738186913.db2.gz KCPLPIMIMONTAI-QMTHXVAHSA-N 1 0 364.320 2.899 20 5 FFBDRO CC(C)(C)OC(=O)C1CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776582911 738210875 /nfs/dbraw/zinc/21/08/75/738210875.db2.gz WFIRVCFJSGAGLX-MRXNPFEDSA-N 1 0 350.415 2.682 20 5 FFBDRO COC(=O)C(C)(C)[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776597751 738212820 /nfs/dbraw/zinc/21/28/20/738212820.db2.gz MECYMXMUXMJSMG-GDBMZVCRSA-N 1 0 350.415 2.539 20 5 FFBDRO O=C(c1cccc([N+](=O)[O-])c1Cl)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000922884654 738214979 /nfs/dbraw/zinc/21/49/79/738214979.db2.gz UALVVQVXAHVIHM-UHFFFAOYSA-N 1 0 367.833 2.621 20 5 FFBDRO CC(C)([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1CCOCC1 ZINC000786156179 739029561 /nfs/dbraw/zinc/02/95/61/739029561.db2.gz HFKZAKMDXUCOHC-UHFFFAOYSA-N 1 0 355.822 2.982 20 5 FFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](C[C@@H]3CC[C@@H](C(F)(F)F)O3)C2)nc1 ZINC000929986950 739045532 /nfs/dbraw/zinc/04/55/32/739045532.db2.gz IDLZNCHOFBODIA-WXHSDQCUSA-N 1 0 360.336 2.586 20 5 FFBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[C@@H]([NH+](C)C)[C@@H]1C ZINC000931047501 739203827 /nfs/dbraw/zinc/20/38/27/739203827.db2.gz ZXCXGWKFDMUCPH-FIXISWKDSA-N 1 0 354.838 2.600 20 5 FFBDRO COC(=O)N1CCC[C@H]([C@@H](C)[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000788752243 739279454 /nfs/dbraw/zinc/27/94/54/739279454.db2.gz DHIWNCRUDHDYQO-SCRDCRAPSA-N 1 0 350.419 2.695 20 5 FFBDRO C[C@]1([C@H]2CCC[N@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)C2)COC(=O)N1 ZINC000932020669 739374445 /nfs/dbraw/zinc/37/44/45/739374445.db2.gz KJFLLGVDUBFLBL-BLLLJJGKSA-N 1 0 353.806 2.959 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000790270646 739431521 /nfs/dbraw/zinc/43/15/21/739431521.db2.gz CQXNGUPSFIQIGW-LLVKDONJSA-N 1 0 355.822 2.813 20 5 FFBDRO CCC[NH+]1CCC(NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000790487260 739461040 /nfs/dbraw/zinc/46/10/40/739461040.db2.gz KMWJBHCXXFYXRN-UHFFFAOYSA-N 1 0 357.813 2.920 20 5 FFBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000790531037 739465807 /nfs/dbraw/zinc/46/58/07/739465807.db2.gz RVYSWYVZUZSMNU-NSHDSACASA-N 1 0 357.813 2.920 20 5 FFBDRO O=C(CC[N@@H+]1CCOC[C@@H]1CC1CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000933209924 739583760 /nfs/dbraw/zinc/58/37/60/739583760.db2.gz RZJYEUBEHHMUTR-AWEZNQCLSA-N 1 0 351.378 2.563 20 5 FFBDRO O=C(CC[NH2+]C1([C@@H]2CCCCO2)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000933375921 739612152 /nfs/dbraw/zinc/61/21/52/739612152.db2.gz PFKSAONBHVKFFQ-HNNXBMFYSA-N 1 0 351.378 2.754 20 5 FFBDRO O=C(C[NH2+]C1([C@H]2CCCCO2)CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000933377891 739612712 /nfs/dbraw/zinc/61/27/12/739612712.db2.gz IJFULPYSJPSEJJ-CQSZACIVSA-N 1 0 353.806 2.878 20 5 FFBDRO CCOC(=O)C1([C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000933884429 739701117 /nfs/dbraw/zinc/70/11/17/739701117.db2.gz DOKMIMIPZAIGKI-KGLIPLIRSA-N 1 0 350.415 2.994 20 5 FFBDRO CCOC(=O)C1([C@H](C)[NH2+]Cc2cc(F)ccc2[N+](=O)[O-])CCOCC1 ZINC000933886928 739701448 /nfs/dbraw/zinc/70/14/48/739701448.db2.gz RJRHUBFQKHZPMS-LBPRGKRZSA-N 1 0 354.378 2.572 20 5 FFBDRO O=C(CC[N@H+]1CCCCC[C@@H]1CCO)Nc1cc([N+](=O)[O-])ccc1F ZINC000792922890 739718918 /nfs/dbraw/zinc/71/89/18/739718918.db2.gz BUTDRRMYGHZVHW-CYBMUJFWSA-N 1 0 353.394 2.690 20 5 FFBDRO O=C(CC[N@@H+]1CC[C@@H](Cc2nccs2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000934331199 739766194 /nfs/dbraw/zinc/76/61/94/739766194.db2.gz ZANSBOJMPHEPKT-ZDUSSCGKSA-N 1 0 360.439 2.945 20 5 FFBDRO O=C(CC[NH2+][C@@H]1CCOC12CCCC2)Nc1cc([N+](=O)[O-])ccc1F ZINC000934387000 739779308 /nfs/dbraw/zinc/77/93/08/739779308.db2.gz VPRHQWAZPYLBPI-OAHLLOKOSA-N 1 0 351.378 2.754 20 5 FFBDRO O=[N+]([O-])c1ccc(Br)c(C[NH2+][C@@H]2CCOC23CCOCC3)c1 ZINC000934399008 739781370 /nfs/dbraw/zinc/78/13/70/739781370.db2.gz FIVFTMFTAGQJGM-CQSZACIVSA-N 1 0 371.231 2.785 20 5 FFBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=S)NCC(C)(C)C[NH+](C)C ZINC000795096237 739964241 /nfs/dbraw/zinc/96/42/41/739964241.db2.gz NSCPFRFQKWFDJJ-UHFFFAOYSA-N 1 0 352.504 2.531 20 5 FFBDRO Cc1cc(Cl)c(S(=O)(=O)N[C@H](C)C[N@@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000810091278 741384908 /nfs/dbraw/zinc/38/49/08/741384908.db2.gz NOPTVYKFHHFZRM-LLVKDONJSA-N 1 0 363.867 2.564 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1COC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000811445382 741522170 /nfs/dbraw/zinc/52/21/70/741522170.db2.gz QMPROLVSJNPNQS-KRWDZBQOSA-N 1 0 354.378 2.859 20 5 FFBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC000811583657 741540307 /nfs/dbraw/zinc/54/03/07/741540307.db2.gz SNGKPMFYPXDRHE-NSHDSACASA-N 1 0 352.391 2.662 20 5 FFBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC000812393838 741616432 /nfs/dbraw/zinc/61/64/32/741616432.db2.gz TYZVXUNPUOVNRX-NSHDSACASA-N 1 0 352.391 2.662 20 5 FFBDRO [NH3+][C@@H]1CCO[C@H](C2CCN(C(=O)c3cc(Cl)ccc3[N+](=O)[O-])CC2)C1 ZINC000818014316 742230234 /nfs/dbraw/zinc/23/02/34/742230234.db2.gz DULGDPDFZBFZHE-CJNGLKHVSA-N 1 0 367.833 2.607 20 5 FFBDRO C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000822359920 742723314 /nfs/dbraw/zinc/72/33/14/742723314.db2.gz SXPXXCZHNTWOLB-UHFFFAOYSA-N 1 0 368.865 2.866 20 5 FFBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c(Cl)cccc3[N+](=O)[O-])C[C@@H]2C1 ZINC000823784771 742979688 /nfs/dbraw/zinc/97/96/88/742979688.db2.gz YJRJBAGJXWPITJ-OLZOCXBDSA-N 1 0 351.834 2.591 20 5 FFBDRO Cc1ccc(CNC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)cc1[N+](=O)[O-] ZINC000825640631 743304836 /nfs/dbraw/zinc/30/48/36/743304836.db2.gz ICELLOHPHHQQHN-MRXNPFEDSA-N 1 0 363.483 2.737 20 5 FFBDRO Cc1cc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C3)cs1 ZINC001048525028 743404948 /nfs/dbraw/zinc/40/49/48/743404948.db2.gz HAXXXKAMRMRMPF-GWZLXJJCSA-N 1 0 363.483 2.581 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000827328406 743556196 /nfs/dbraw/zinc/55/61/96/743556196.db2.gz FBFVVMRUPXHCRM-SGMGOOAPSA-N 1 0 367.833 2.568 20 5 FFBDRO Cc1ccc(NC[C@H]2CCC[N@@H+]2CCCO)c([N+](=O)[O-])c1Br ZINC000828422054 745064756 /nfs/dbraw/zinc/06/47/56/745064756.db2.gz NZVUJBYAXUPBBY-GFCCVEGCSA-N 1 0 372.263 2.924 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(F)c(C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)c1F ZINC000830000576 745291169 /nfs/dbraw/zinc/29/11/69/745291169.db2.gz ZXYUEHULRXLTCB-LBPRGKRZSA-N 1 0 355.385 2.889 20 5 FFBDRO CCO[C@@H](CNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])C[NH+](C)C ZINC000831719772 745574690 /nfs/dbraw/zinc/57/46/90/745574690.db2.gz ULWUCNMFSNMLKH-JTQLQIEISA-N 1 0 364.229 2.598 20 5 FFBDRO CC[NH+](CC)CCOCCNC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000832136544 745642733 /nfs/dbraw/zinc/64/27/33/745642733.db2.gz AAVGVOFUYGCPLN-UHFFFAOYSA-N 1 0 357.838 2.645 20 5 FFBDRO C[N@H+](CCCCNC(=O)c1cc([N+](=O)[O-])ccc1Br)C1CC1 ZINC000839439753 746828544 /nfs/dbraw/zinc/82/85/44/746828544.db2.gz RIUVRVUIQUHBJC-UHFFFAOYSA-N 1 0 370.247 2.962 20 5 FFBDRO C[C@@H]([NH2+]CC(C)(C)[C@H]1COCC12OCCO2)c1cccc([N+](=O)[O-])c1 ZINC000840805127 747188629 /nfs/dbraw/zinc/18/86/29/747188629.db2.gz YXFHHHRGKFTYQT-CZUORRHYSA-N 1 0 350.415 2.661 20 5 FFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCS(=O)(=O)C2CC2)s1 ZINC000840964473 747244671 /nfs/dbraw/zinc/24/46/71/747244671.db2.gz MBHIGZHIKOFNAD-UHFFFAOYSA-N 1 0 366.464 2.990 20 5 FFBDRO [NH3+][C@@H]1CCO[C@H](C2CCN(Cc3cc([N+](=O)[O-])ccc3Cl)CC2)C1 ZINC000841103848 747270244 /nfs/dbraw/zinc/27/02/44/747270244.db2.gz KXLXPKNBUSFDJK-PBHICJAKSA-N 1 0 353.850 2.967 20 5 FFBDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000841161905 747285099 /nfs/dbraw/zinc/28/50/99/747285099.db2.gz PTEXOYJTXZKKJJ-NXEZZACHSA-N 1 0 371.235 2.948 20 5 FFBDRO CC[NH2+]CC1CCN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000841856530 747477072 /nfs/dbraw/zinc/47/70/72/747477072.db2.gz RQFNNPCFAXIPNN-UHFFFAOYSA-N 1 0 354.838 2.779 20 5 FFBDRO [NH3+][C@@H]1CCO[C@H](C2CCN(C(=O)c3ccc([N+](=O)[O-])c(Cl)c3)CC2)C1 ZINC000842509384 747623284 /nfs/dbraw/zinc/62/32/84/747623284.db2.gz JKKNNGXGCIGNTK-CJNGLKHVSA-N 1 0 367.833 2.607 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)ccc1OCCc1nc(CC2CC[NH2+]CC2)no1 ZINC000843133444 747779180 /nfs/dbraw/zinc/77/91/80/747779180.db2.gz SBVVETIEKJHMLU-UHFFFAOYSA-N 1 0 366.805 2.795 20 5 FFBDRO O=C(CN1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000843363371 747817643 /nfs/dbraw/zinc/81/76/43/747817643.db2.gz YQIHKAZMZAYKOF-IUODEOHRSA-N 1 0 366.849 2.651 20 5 FFBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC2(CC[NH2+]C2)CC1 ZINC000843386154 747821099 /nfs/dbraw/zinc/82/10/99/747821099.db2.gz ILGXSULBZSQGBQ-GFCCVEGCSA-N 1 0 366.849 2.651 20 5 FFBDRO C[C@@H]1[C@H](C)N(C(=O)c2cc([N+](=O)[O-])ccc2Br)[C@@H](C)C[N@@H+]1C ZINC000844645101 748063600 /nfs/dbraw/zinc/06/36/00/748063600.db2.gz PNTYUVLNUCUSJK-AXFHLTTASA-N 1 0 370.247 2.910 20 5 FFBDRO C[C@H]1COCC[N@@H+]1C1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000846911860 748572966 /nfs/dbraw/zinc/57/29/66/748572966.db2.gz KQICBBFSUSRONK-ZDUSSCGKSA-N 1 0 353.850 2.933 20 5 FFBDRO CC[C@@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@@H]1CCCCO1 ZINC000847083530 748617440 /nfs/dbraw/zinc/61/74/40/748617440.db2.gz ZSWIYYUCTOMUNR-ZBFHGGJFSA-N 1 0 353.394 3.000 20 5 FFBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H]2C[C@@H](N3CCOCC3)C23CCC3)c1 ZINC000850395124 749358773 /nfs/dbraw/zinc/35/87/73/749358773.db2.gz AWYWMXLJEJVBRB-IAGOWNOFSA-N 1 0 365.861 2.981 20 5 FFBDRO CCS(=O)(=O)CC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000069172842 845540109 /nfs/dbraw/zinc/54/01/09/845540109.db2.gz LNMIAQJFXCVLPP-UHFFFAOYSA-N 1 0 354.453 2.848 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)[NH2+]Cc2ccc(C(F)F)c(F)c2)cc1 ZINC000895949473 971102785 /nfs/dbraw/zinc/10/27/85/971102785.db2.gz YVWULSPFKZHFAX-HZPDHXFCSA-N 1 0 370.327 2.856 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H](CO)CCc3ccccc3)CC2)cn1 ZINC000896517783 971533762 /nfs/dbraw/zinc/53/37/62/971533762.db2.gz JSHYQCLFVSGTFQ-SFHVURJKSA-N 1 0 370.453 2.542 20 5 FFBDRO Cc1ccccc1CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001267923853 971636027 /nfs/dbraw/zinc/63/60/27/971636027.db2.gz BAPAFCATPPOGRO-NCXUSEDFSA-N 1 0 359.470 2.610 20 5 FFBDRO O=[N+]([O-])c1cc2c(nc1NC1CC[NH+](C[C@@H]3CCCO3)CC1)CCCC2 ZINC000825583037 1013142547 /nfs/dbraw/zinc/14/25/47/1013142547.db2.gz JHTNCFPZQICJKK-INIZCTEOSA-N 1 0 360.458 2.924 20 5 FFBDRO CN(C(=O)C[N@@H+]1CCC[C@@H](OC2CCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000872279997 1013197640 /nfs/dbraw/zinc/19/76/40/1013197640.db2.gz OMBLRKRUOXPHAN-GOSISDBHSA-N 1 0 361.442 2.981 20 5 FFBDRO COc1ccc(OCCN2CCC(C)([NH+]3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC001175121423 1013397617 /nfs/dbraw/zinc/39/76/17/1013397617.db2.gz TXOGXLCBADXJOB-UHFFFAOYSA-N 1 0 363.458 2.933 20 5 FFBDRO COC(=O)Cc1ccc(N2CC([N@H+](C)Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000828178468 963920901 /nfs/dbraw/zinc/92/09/01/963920901.db2.gz MMILCWTZYIKQOW-UHFFFAOYSA-N 1 0 369.421 2.631 20 5 FFBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)N3CCCC3(C)C)c2)CC1 ZINC000934041604 965540879 /nfs/dbraw/zinc/54/08/79/965540879.db2.gz FAYKLKHSVFCHEV-UHFFFAOYSA-N 1 0 361.446 2.753 20 5 FFBDRO CCC[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000176231297 965637508 /nfs/dbraw/zinc/63/75/08/965637508.db2.gz LPCYHWALKCTNAU-AWEZNQCLSA-N 1 0 367.450 2.513 20 5 FFBDRO Cn1cc(C[NH2+]CCO[C@H]2CCCCO2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000894798729 965699040 /nfs/dbraw/zinc/69/90/40/965699040.db2.gz HMSOISXNYZRBKO-KRWDZBQOSA-N 1 0 360.414 2.628 20 5 FFBDRO COc1ccc(OC)c(NC(=O)C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC001176027791 1013613968 /nfs/dbraw/zinc/61/39/68/1013613968.db2.gz DITSGYPALSZGPR-GFCCVEGCSA-N 1 0 359.382 2.901 20 5 FFBDRO Cc1ccccc1C[NH2+]CCc1ccc(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001267097001 966295180 /nfs/dbraw/zinc/29/51/80/966295180.db2.gz OICZVFLKDIYWIB-WOJBJXKFSA-N 1 0 367.449 2.609 20 5 FFBDRO CCC[NH+]1CCC(N(C)C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)CC1 ZINC000843772190 967254796 /nfs/dbraw/zinc/25/47/96/967254796.db2.gz VHUMNHGODSPHGM-UHFFFAOYSA-N 1 0 364.402 2.758 20 5 FFBDRO CC(C)[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1sccc1Cl ZINC001267257697 967497764 /nfs/dbraw/zinc/49/77/64/967497764.db2.gz QXHSLFFROCLTOC-DGCLKSJQSA-N 1 0 359.879 2.783 20 5 FFBDRO CC(C)[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cc2ccccc2o1 ZINC001267257804 967499177 /nfs/dbraw/zinc/49/91/77/967499177.db2.gz WCONOVQHJVMQKF-IAGOWNOFSA-N 1 0 359.426 2.815 20 5 FFBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000892347937 967636967 /nfs/dbraw/zinc/63/69/67/967636967.db2.gz MDAZAGANNFFVFW-UHFFFAOYSA-N 1 0 354.410 2.582 20 5 FFBDRO COc1c(O)ccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000892437713 968744142 /nfs/dbraw/zinc/74/41/42/968744142.db2.gz AVKYTFQMKWWZQT-MRXNPFEDSA-N 1 0 357.410 2.673 20 5 FFBDRO C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000895268855 968876726 /nfs/dbraw/zinc/87/67/26/968876726.db2.gz AQUFCXOCWJVRKK-HNNXBMFYSA-N 1 0 354.410 2.660 20 5 FFBDRO Cc1ccc(CNC(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000892537463 969404921 /nfs/dbraw/zinc/40/49/21/969404921.db2.gz VLQQAUWAUGNIGZ-IAGOWNOFSA-N 1 0 360.458 2.824 20 5 FFBDRO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cc([N+](=O)[O-])ccc1F ZINC000311819281 970176755 /nfs/dbraw/zinc/17/67/55/970176755.db2.gz PZUOWEBWAULPFT-HNNXBMFYSA-N 1 0 357.385 2.986 20 5 FFBDRO C[C@H](CNC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)c1ccccc1[N+](=O)[O-] ZINC000897060947 973204928 /nfs/dbraw/zinc/20/49/28/973204928.db2.gz DOSMQOGNWVHTEB-VYDXJSESSA-N 1 0 360.458 2.824 20 5 FFBDRO C[C@H](CNC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21)c1ccccc1[N+](=O)[O-] ZINC000897062351 973214204 /nfs/dbraw/zinc/21/42/04/973214204.db2.gz SVASZGLMLKLIBZ-VYDXJSESSA-N 1 0 360.458 2.824 20 5 FFBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000893447293 974071535 /nfs/dbraw/zinc/07/15/35/974071535.db2.gz RYBMGNIZMSBYIQ-LBPRGKRZSA-N 1 0 358.373 2.788 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)c1F ZINC000876281289 1014209823 /nfs/dbraw/zinc/20/98/23/1014209823.db2.gz ZZTISTIRWDWRCP-UHFFFAOYSA-N 1 0 361.377 2.758 20 5 FFBDRO CN(C)C(=O)OC[C@@H]1CCCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000796548640 1014261508 /nfs/dbraw/zinc/26/15/08/1014261508.db2.gz BTQYBPXPQICZAG-INIZCTEOSA-N 1 0 365.430 2.916 20 5 FFBDRO [NH3+]CC12CC(C1)CN2C(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000662682483 975820497 /nfs/dbraw/zinc/82/04/97/975820497.db2.gz IKWXHOQZLDCDLO-UHFFFAOYSA-N 1 0 369.371 2.523 20 5 FFBDRO Cc1ccccc1[C@H](O)C1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000796407635 1014350413 /nfs/dbraw/zinc/35/04/13/1014350413.db2.gz QVCWDQJZPSQZJY-HXUWFJFHSA-N 1 0 371.437 2.511 20 5 FFBDRO C[C@]12CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@]1(C)C[N@H+](CCCC1CCCC1)C2 ZINC000982278722 977376285 /nfs/dbraw/zinc/37/62/85/977376285.db2.gz PQAYTFSZLVZKPG-LFGUQSLTSA-N 1 0 363.502 2.792 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]Cc3cccc4c3OCCO4)CC2)cn1 ZINC000876876624 1014407466 /nfs/dbraw/zinc/40/74/66/1014407466.db2.gz SFGUPNHUQLJFBW-UHFFFAOYSA-N 1 0 370.409 2.520 20 5 FFBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@H]([NH3+])[C@H](C)OCc1ccccc1)CC2 ZINC000876904510 1014415926 /nfs/dbraw/zinc/41/59/26/1014415926.db2.gz CSFVFINCXNGGGI-IFXJQAMLSA-N 1 0 369.421 2.725 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000876921655 1014422498 /nfs/dbraw/zinc/42/24/98/1014422498.db2.gz RPHKWNBWKCEJJV-WBVHZDCISA-N 1 0 361.442 2.570 20 5 FFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@@H]3CCN(c4ccc(F)cc4)C3)C2)c1 ZINC000876970245 1014437104 /nfs/dbraw/zinc/43/71/04/1014437104.db2.gz MFPUAQOCVIUWJQ-KTAKPFMOSA-N 1 0 359.405 2.750 20 5 FFBDRO COc1ccccc1N1CC[C@H](C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000876998333 1014445113 /nfs/dbraw/zinc/44/51/13/1014445113.db2.gz FLADIQHLARGSEL-QQFBHYJXSA-N 1 0 371.441 2.620 20 5 FFBDRO CC1(C)CC[C@H](CNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)[NH2+]C1 ZINC000877155774 1014493432 /nfs/dbraw/zinc/49/34/32/1014493432.db2.gz YBWPLYNYKHZYAE-MRXNPFEDSA-N 1 0 374.485 2.706 20 5 FFBDRO [NH3+]C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)C[C@@H]1C(F)(F)F ZINC000877356529 1014561276 /nfs/dbraw/zinc/56/12/76/1014561276.db2.gz SFSMYYKKRKPVMR-ABAIWWIYSA-N 1 0 367.327 2.957 20 5 FFBDRO Cc1ccc([C@H](O)[C@H](C)[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1 ZINC000877517545 1014609799 /nfs/dbraw/zinc/60/97/99/1014609799.db2.gz OFAFPQWEVJZBAW-MGPUTAFESA-N 1 0 370.453 2.979 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3C[C@H](O)c4ccccc43)CC2)cn1 ZINC000877630075 1014652621 /nfs/dbraw/zinc/65/26/21/1014652621.db2.gz YOVHGFNHDQXORL-ROUUACIJSA-N 1 0 354.410 2.727 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CCc2cnc3ccccc3c2)c1 ZINC000905566402 980466225 /nfs/dbraw/zinc/46/62/25/980466225.db2.gz VQFRTDPDXNLBNN-SFHVURJKSA-N 1 0 367.405 2.715 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCOc2c(F)cccc21 ZINC000905644138 980483154 /nfs/dbraw/zinc/48/31/54/980483154.db2.gz NHIZCPIZKGLMGW-IUODEOHRSA-N 1 0 362.357 2.587 20 5 FFBDRO C[NH+](C)CC[C@@H](NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])c1cccnc1 ZINC000906284355 980614060 /nfs/dbraw/zinc/61/40/60/980614060.db2.gz KFCKAQXJOQTFJT-OAHLLOKOSA-N 1 0 364.352 2.691 20 5 FFBDRO Cc1c(Cl)nc(-c2ccc([N+](=O)[O-])cc2)nc1NC1(C)CC[NH2+]CC1 ZINC001168186580 980800291 /nfs/dbraw/zinc/80/02/91/980800291.db2.gz DKIDEHTZFGJUAL-UHFFFAOYSA-N 1 0 361.833 2.990 20 5 FFBDRO CCCN(CCC[NH+](C)C)C(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000907657493 981274653 /nfs/dbraw/zinc/27/46/53/981274653.db2.gz KTNKMNDGJPJJFT-UHFFFAOYSA-N 1 0 365.430 2.560 20 5 FFBDRO COc1ccc(OC)c([C@H](O)[C@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000877832349 1014747337 /nfs/dbraw/zinc/74/73/37/1014747337.db2.gz KMEUFSZPGREKQE-ORAYPTAESA-N 1 0 360.410 2.866 20 5 FFBDRO O=[N+]([O-])c1cn(CN2CC[NH+](C3CCCCC3)CC2)nc1-c1ccncc1 ZINC000165220784 984441823 /nfs/dbraw/zinc/44/18/23/984441823.db2.gz YPCZUWHDGLROHK-UHFFFAOYSA-N 1 0 370.457 2.761 20 5 FFBDRO C[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1nnc2ccccn21 ZINC000764723605 984662955 /nfs/dbraw/zinc/66/29/55/984662955.db2.gz QWPFIQXUIXCDTD-CQSZACIVSA-N 1 0 366.425 2.957 20 5 FFBDRO Cc1ncc2c(n1)CC[C@H]([NH2+]C1CCN(c3ccc([N+](=O)[O-])cc3)CC1)C2 ZINC000764858528 984757103 /nfs/dbraw/zinc/75/71/03/984757103.db2.gz VECXGQPENUXKFE-KRWDZBQOSA-N 1 0 367.453 2.809 20 5 FFBDRO CN(Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000878608267 1015129391 /nfs/dbraw/zinc/12/93/91/1015129391.db2.gz NHGXVWDMNXNFRG-PBWFPOADSA-N 1 0 357.414 2.702 20 5 FFBDRO CCOC(=O)Cc1ccc(N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000826076051 1015251986 /nfs/dbraw/zinc/25/19/86/1015251986.db2.gz LPEVZAKYDGFQCD-HOCLYGCPSA-N 1 0 361.442 2.763 20 5 FFBDRO Cc1cc(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c(N)c([N+](=O)[O-])c1 ZINC000843828884 988436867 /nfs/dbraw/zinc/43/68/67/988436867.db2.gz WNMOYXQIFUNMSB-INIZCTEOSA-N 1 0 368.437 2.832 20 5 FFBDRO COc1cccc(C(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000193944556 989110086 /nfs/dbraw/zinc/11/00/86/989110086.db2.gz JTHBCZNCCWFAJF-UHFFFAOYSA-N 1 0 373.409 2.933 20 5 FFBDRO Cc1c(CC(=O)N2CC[NH2+][C@H](Cc3ccc(F)cc3)C2)cccc1[N+](=O)[O-] ZINC001168752177 989520841 /nfs/dbraw/zinc/52/08/41/989520841.db2.gz GLFRALYNIHGNGN-GOSISDBHSA-N 1 0 371.412 2.628 20 5 FFBDRO C[N@H+](CCNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)Cc1ccccc1 ZINC000194628726 990384893 /nfs/dbraw/zinc/38/48/93/990384893.db2.gz PDTLEPDXVIEYST-UHFFFAOYSA-N 1 0 352.394 2.938 20 5 FFBDRO COc1cccc(C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1[N+](=O)[O-] ZINC000194844348 990591192 /nfs/dbraw/zinc/59/11/92/990591192.db2.gz FODHMQFWOKRBOQ-ZIAGYGMSSA-N 1 0 361.442 2.986 20 5 FFBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000711061125 990665030 /nfs/dbraw/zinc/66/50/30/990665030.db2.gz RJMUJDYOGZEVDA-CJNGLKHVSA-N 1 0 365.430 2.709 20 5 FFBDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000923266906 991001930 /nfs/dbraw/zinc/00/19/30/991001930.db2.gz CCMPIVSZPMATIM-JKSUJKDBSA-N 1 0 366.421 2.966 20 5 FFBDRO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000184519503 992805678 /nfs/dbraw/zinc/80/56/78/992805678.db2.gz UNUSIBXJDUEVPX-UHFFFAOYSA-N 1 0 356.426 2.817 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3COc4ccccc4[C@@H]3O)CC2)cc1 ZINC000808731186 994244174 /nfs/dbraw/zinc/24/41/74/994244174.db2.gz SDQAIHIOEQVWAT-QUCCMNQESA-N 1 0 369.421 2.648 20 5 FFBDRO Cc1nn(-c2ccccn2)c(C)c1CN(CC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000809734571 994584771 /nfs/dbraw/zinc/58/47/71/994584771.db2.gz JYWHJZDOYGUPCK-UHFFFAOYSA-N 1 0 366.425 2.758 20 5 FFBDRO Nc1ccc(NC(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000823987330 996773169 /nfs/dbraw/zinc/77/31/69/996773169.db2.gz PWZKBVFOEMQMQE-INIZCTEOSA-N 1 0 369.425 2.963 20 5 FFBDRO CC[NH+](CC)[C@H](CNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000824235509 996829600 /nfs/dbraw/zinc/82/96/00/996829600.db2.gz BJPJZUQIIDDVMW-RTBURBONSA-N 1 0 371.437 2.828 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1 ZINC000824827939 997118518 /nfs/dbraw/zinc/11/85/18/997118518.db2.gz JUAUQOQEVCDOIO-ZIAGYGMSSA-N 1 0 371.359 2.746 20 5 FFBDRO Cc1c(CO)cc([N+](=O)[O-])c(NCC[NH+]2[C@H](C)CCC[C@H]2C)c1[N+](=O)[O-] ZINC000730806518 997496975 /nfs/dbraw/zinc/49/69/75/997496975.db2.gz RDVQPZQPDLZCMC-VXGBXAGGSA-N 1 0 366.418 2.979 20 5 FFBDRO Cc1c(C(=O)N2[C@H](C)C[N@H+](C)[C@@H](C)[C@H]2C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000844647319 998056588 /nfs/dbraw/zinc/05/65/88/998056588.db2.gz YQUAJIRSHOPSRQ-JIMOISOXSA-N 1 0 364.402 2.673 20 5 FFBDRO O=C(NC1(C2CC[NH+](CC3CCCCCC3)CC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001000156400 1016250613 /nfs/dbraw/zinc/25/06/13/1016250613.db2.gz YTQCWOUBPTWPLB-QZTJIDSGSA-N 1 0 363.502 2.983 20 5 FFBDRO C[C@H]1CN(C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCN1C ZINC000742200448 999764160 /nfs/dbraw/zinc/76/41/60/999764160.db2.gz XYJBWAQPSDBWPF-NSHDSACASA-N 1 0 374.363 2.578 20 5 FFBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000745867784 999934593 /nfs/dbraw/zinc/93/45/93/999934593.db2.gz LYCPGODOZYBYIM-MJBXVCDLSA-N 1 0 367.421 2.595 20 5 FFBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000745943343 999938055 /nfs/dbraw/zinc/93/80/55/999938055.db2.gz BKAQEOJSPKZDSW-OAHLLOKOSA-N 1 0 365.430 2.915 20 5 FFBDRO Cc1nc(N(CC[NH3+])c2cccnc2)c([N+](=O)[O-])c(C)c1Br ZINC001168838164 1000001016 /nfs/dbraw/zinc/00/10/16/1000001016.db2.gz RLRJPOXZCUJILO-UHFFFAOYSA-N 1 0 366.219 2.861 20 5 FFBDRO CC(C)(C)OC(=O)N1CC[C@H](C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)[C@@H](F)C1 ZINC001168970380 1000013509 /nfs/dbraw/zinc/01/35/09/1000013509.db2.gz GZWVLDSANPMKAA-TUVASFSCSA-N 1 0 359.442 2.617 20 5 FFBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2ccc(I)cc2)C1 ZINC001168975206 1000013714 /nfs/dbraw/zinc/01/37/14/1000013714.db2.gz URHOFEZPPMHIGH-YPMHNXCESA-N 1 0 360.195 2.826 20 5 FFBDRO CC(C)(C)OC(=O)N1CCCC2(C[NH+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)C1 ZINC001169011055 1000015398 /nfs/dbraw/zinc/01/53/98/1000015398.db2.gz HWCNGWDTIIHHSF-CABCVRRESA-N 1 0 353.463 2.765 20 5 FFBDRO CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC[C@@H]2C1 ZINC001169010586 1000015405 /nfs/dbraw/zinc/01/54/05/1000015405.db2.gz DVBRXITVXODCRJ-LVQVYYBASA-N 1 0 353.463 2.621 20 5 FFBDRO [NH3+]CCCCN=c1ccc(Br)cn1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168988434 1000015907 /nfs/dbraw/zinc/01/59/07/1000015907.db2.gz SFVRYCZTISZHEE-GXTWGEPZSA-N 1 0 371.279 2.508 20 5 FFBDRO O=C(c1cccc(Cl)c1)N1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169036996 1000016559 /nfs/dbraw/zinc/01/65/59/1000016559.db2.gz HVKXPFIYFYCTLO-CJNGLKHVSA-N 1 0 351.834 2.543 20 5 FFBDRO CC(C)(C)OC(=O)N1CCCCC12C[NH+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169038319 1000016879 /nfs/dbraw/zinc/01/68/79/1000016879.db2.gz YCLNNKMEMXXZBC-HUUCEWRRSA-N 1 0 353.463 2.907 20 5 FFBDRO CCOC[C@@H]1C[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)Cc2cn(CC3CC3)nc21 ZINC001169021692 1000017397 /nfs/dbraw/zinc/01/73/97/1000017397.db2.gz PKYVTVNDSHDRPA-SZMVWBNQSA-N 1 0 362.474 2.674 20 5 FFBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CC[C@H]3O[C@@H](COc4cccnc4)CC[C@H]32)C1 ZINC001169019190 1000017402 /nfs/dbraw/zinc/01/74/02/1000017402.db2.gz FJIHNJWRMDVLAJ-CSFFLVESSA-N 1 0 361.442 2.528 20 5 FFBDRO CCn1c2ccccc2nc1N1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169055341 1000019037 /nfs/dbraw/zinc/01/90/37/1000019037.db2.gz PSLBVGOXRRPZHC-CVEARBPZSA-N 1 0 357.458 2.624 20 5 FFBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCN(c3ccc(-c4ncccn4)cc3)CC2)C1 ZINC001169055349 1000019053 /nfs/dbraw/zinc/01/90/53/1000019053.db2.gz PUZAPOFJTCEDEB-APWZRJJASA-N 1 0 367.453 2.711 20 5 FFBDRO CCC[C@@H]1CN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1CCOC ZINC000767122665 1000100303 /nfs/dbraw/zinc/10/03/03/1000100303.db2.gz HVFPVNIGLGZRAR-IEODJVTJSA-N 1 0 361.442 2.567 20 5 FFBDRO C[N@H+](CCOC(=O)COc1cccc([N+](=O)[O-])c1)Cc1ccc(F)cc1 ZINC000769071974 1000428581 /nfs/dbraw/zinc/42/85/81/1000428581.db2.gz GMTGSHNEFFOYNS-UHFFFAOYSA-N 1 0 362.357 2.788 20 5 FFBDRO O=C(NCC1=CC[N@H+](Cc2cccc(C(F)F)c2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001000673125 1016420907 /nfs/dbraw/zinc/42/09/07/1016420907.db2.gz FCVIUOTUWILXSO-HZPDHXFCSA-N 1 0 365.380 2.538 20 5 FFBDRO CC(C)[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C[C@H](O)COc1ccccc1 ZINC000770038683 1000661389 /nfs/dbraw/zinc/66/13/89/1000661389.db2.gz DHTXGNQTYIEXOM-ICSRJNTNSA-N 1 0 374.437 2.779 20 5 FFBDRO O=[N+]([O-])c1c2nsnc2ccc1NCc1ccccc1N1CC[NH2+]CC1 ZINC001171286538 1000764535 /nfs/dbraw/zinc/76/45/35/1000764535.db2.gz VOKSZRSQDZXLJY-UHFFFAOYSA-N 1 0 370.438 2.621 20 5 FFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cccc2c1OCCO2 ZINC000772982562 1000914507 /nfs/dbraw/zinc/91/45/07/1000914507.db2.gz JPOBRSUPWVKNCQ-ZDUSSCGKSA-N 1 0 371.393 2.873 20 5 FFBDRO C[NH+](C)CCCOc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N)cc1 ZINC000786913438 1001642793 /nfs/dbraw/zinc/64/27/93/1001642793.db2.gz ANXHEYMHRVIZDV-UHFFFAOYSA-N 1 0 358.398 2.760 20 5 FFBDRO CCC(CC)[C@H](C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)N1CCOCC1 ZINC000788506245 1001813750 /nfs/dbraw/zinc/81/37/50/1001813750.db2.gz KDFREEYLUXMIDG-KUHUBIRLSA-N 1 0 364.490 2.965 20 5 FFBDRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000746882861 1002288938 /nfs/dbraw/zinc/28/89/38/1002288938.db2.gz MQKVVMVARGIMLB-AWEZNQCLSA-N 1 0 358.442 2.552 20 5 FFBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000791301295 1002639608 /nfs/dbraw/zinc/63/96/08/1002639608.db2.gz PHSPTKNXUMLYND-UHFFFAOYSA-N 1 0 372.400 2.842 20 5 FFBDRO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NCC[N@@H+]1CCc2ccccc2C1 ZINC001184776031 1002716550 /nfs/dbraw/zinc/71/65/50/1002716550.db2.gz VWIGIWXXBXKAGB-UHFFFAOYSA-N 1 0 369.347 2.817 20 5 FFBDRO CCOC(=O)c1cc([N+](=O)[O-])c(NC2CC[NH+](CCOC)CC2)cc1C ZINC001185035194 1002791770 /nfs/dbraw/zinc/79/17/70/1002791770.db2.gz FIWSULVCWZQOGB-UHFFFAOYSA-N 1 0 365.430 2.603 20 5 FFBDRO O=[N+]([O-])c1c(N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cccc1C(F)(F)F ZINC001185241248 1002881351 /nfs/dbraw/zinc/88/13/51/1002881351.db2.gz HIDRWIQJWIBJAU-JSGCOSHPSA-N 1 0 359.348 2.649 20 5 FFBDRO CC(C)[NH+]1CCN(CCCOC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC000792088690 1002915564 /nfs/dbraw/zinc/91/55/64/1002915564.db2.gz QFSFAVYGCJRGLJ-UHFFFAOYSA-N 1 0 374.441 2.649 20 5 FFBDRO COc1ccc(C[C@@H](C)[N@@H+]2CCC[C@@H](NC(=O)C3CC3)C2)c([N+](=O)[O-])c1 ZINC001170355180 1003123152 /nfs/dbraw/zinc/12/31/52/1003123152.db2.gz WYAAUFSKEFNWAL-CZUORRHYSA-N 1 0 361.442 2.525 20 5 FFBDRO CCOc1ccc(NC(=O)C[NH2+][C@H](CC)[C@@H]2CCCOC2)c([N+](=O)[O-])c1 ZINC001197255488 1004143999 /nfs/dbraw/zinc/14/39/99/1004143999.db2.gz KGNQRUHIOYAKTD-UKRRQHHQSA-N 1 0 365.430 2.727 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)n1 ZINC001130613517 1004304388 /nfs/dbraw/zinc/30/43/88/1004304388.db2.gz DEJTUBGRKUMOKS-IBGZPJMESA-N 1 0 354.410 2.693 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H](c2ncccn2)C1 ZINC001197864853 1004405337 /nfs/dbraw/zinc/40/53/37/1004405337.db2.gz QJEPOJMSHQQOCB-OAHLLOKOSA-N 1 0 369.425 2.901 20 5 FFBDRO CCOC(=O)C1=C(Nc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC[NH2+]C1 ZINC001170516835 1004498192 /nfs/dbraw/zinc/49/81/92/1004498192.db2.gz HEPSQNTVHHELAB-UHFFFAOYSA-N 1 0 359.304 2.836 20 5 FFBDRO CC[C@@]1(C(=O)OC(C)(C)C)CCC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC001198310473 1004588127 /nfs/dbraw/zinc/58/81/27/1004588127.db2.gz QPXMPLACSPNXNL-GOSISDBHSA-N 1 0 366.462 2.934 20 5 FFBDRO C[NH+](C)CCCOc1cnccc1CNc1nc2ccccn2c1[N+](=O)[O-] ZINC000808128006 1004749540 /nfs/dbraw/zinc/74/95/40/1004749540.db2.gz ADTYZGBQHZGVDS-UHFFFAOYSA-N 1 0 370.413 2.580 20 5 FFBDRO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001170546828 1004782686 /nfs/dbraw/zinc/78/26/86/1004782686.db2.gz HJUOTQGNFOSPFZ-OAHLLOKOSA-N 1 0 357.385 2.699 20 5 FFBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000108346333 1005654893 /nfs/dbraw/zinc/65/48/93/1005654893.db2.gz UIHHIGHOAPXUTP-INIZCTEOSA-N 1 0 374.485 2.903 20 5 FFBDRO COc1cc(C[NH2+][C@@H](C)CN(C)C(=O)OC(C)(C)C)c([N+](=O)[O-])cc1O ZINC000850417353 1005814348 /nfs/dbraw/zinc/81/43/48/1005814348.db2.gz TWFVLDNWNRMRAE-NSHDSACASA-N 1 0 369.418 2.654 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H](O)CN2CCC([NH2+]Cc3ccccc3)CC2)c1 ZINC000852117319 1005942658 /nfs/dbraw/zinc/94/26/58/1005942658.db2.gz YSLZEQDOSROACD-HXUWFJFHSA-N 1 0 355.438 2.882 20 5 FFBDRO O=[N+]([O-])c1ccccc1C[N@@H+](C[C@H](O)c1ccccn1)[C@H]1CC[C@H](O)CC1 ZINC000852204642 1005950882 /nfs/dbraw/zinc/95/08/82/1005950882.db2.gz QBDSIBDMHSTQQR-ZWOKBUDYSA-N 1 0 371.437 2.829 20 5 FFBDRO CN(C)c1cc[nH+]c(CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)c1 ZINC001133800318 1005968101 /nfs/dbraw/zinc/96/81/01/1005968101.db2.gz JVUXYTCGROYCTB-UHFFFAOYSA-N 1 0 351.366 2.534 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)cc1 ZINC000776595894 1006038434 /nfs/dbraw/zinc/03/84/34/1006038434.db2.gz CEBRWAIZVCYMSC-GOEBONIOSA-N 1 0 357.414 2.503 20 5 FFBDRO COC(=O)[C@@H]1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H]2CCCC[C@H]12 ZINC000852497655 1006055612 /nfs/dbraw/zinc/05/56/12/1006055612.db2.gz XHRRMYZCUHZKEY-TVFCKZIOSA-N 1 0 362.426 2.682 20 5 FFBDRO COc1cc(C(=O)N2CCN(c3cc[nH+]cc3)[C@@H](C)C2)cc([N+](=O)[O-])c1C ZINC000881633516 1006163817 /nfs/dbraw/zinc/16/38/17/1006163817.db2.gz JIRWAQDCFOQZJP-ZDUSSCGKSA-N 1 0 370.409 2.658 20 5 FFBDRO C/C(=C\c1ccco1)C(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001134201004 1006229780 /nfs/dbraw/zinc/22/97/80/1006229780.db2.gz YJOSGWLVOHPXMP-WYMLVPIESA-N 1 0 370.409 2.982 20 5 FFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCC[NH2+]C[C@@H](O)c1ccccn1 ZINC000853096668 1006294739 /nfs/dbraw/zinc/29/47/39/1006294739.db2.gz JMDLBHXUXGTVEZ-OAHLLOKOSA-N 1 0 370.331 2.744 20 5 FFBDRO CC(=O)c1c([N+](=O)[O-])cccc1N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000882182868 1006313806 /nfs/dbraw/zinc/31/38/06/1006313806.db2.gz OELZFESMZSYYCC-UHFFFAOYSA-N 1 0 374.485 2.651 20 5 FFBDRO CC[NH+](CC)CC1CCN(Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)CC1 ZINC000853497383 1006413360 /nfs/dbraw/zinc/41/33/60/1006413360.db2.gz XVWVPAKXWWDFCW-UHFFFAOYSA-N 1 0 372.473 2.865 20 5 FFBDRO O=[N+]([O-])c1cccc2c1ccnc2N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000882726755 1006490308 /nfs/dbraw/zinc/49/03/08/1006490308.db2.gz BQMNRDPEICUGQI-HNNXBMFYSA-N 1 0 356.426 2.880 20 5 FFBDRO O=[N+]([O-])c1c2ccncc2ccc1N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000882727799 1006491673 /nfs/dbraw/zinc/49/16/73/1006491673.db2.gz FYFBBIDHFQYLAW-INIZCTEOSA-N 1 0 356.426 2.880 20 5 FFBDRO Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)Cc3cccc([N+](=O)[O-])c3)C2)cc1 ZINC001152413011 1032162886 /nfs/dbraw/zinc/16/28/86/1032162886.db2.gz WCTKURGVCNEBHT-SFHVURJKSA-N 1 0 353.422 2.836 20 5 FFBDRO C[NH+]1CCC(N(C[C@@H](O)CC(C)(C)C)C(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000854334344 1006782397 /nfs/dbraw/zinc/78/23/97/1006782397.db2.gz HFFHVRYLQCBNAI-INIZCTEOSA-N 1 0 371.522 2.542 20 5 FFBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC000113197509 1007220799 /nfs/dbraw/zinc/22/07/99/1007220799.db2.gz VKLBHTUFMXMMOI-CYBMUJFWSA-N 1 0 364.402 2.806 20 5 FFBDRO CCN(C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C)[C@@H]1CC[N@H+](CC)C1 ZINC000855490184 1007366482 /nfs/dbraw/zinc/36/64/82/1007366482.db2.gz FBDQIAJPNOWEAZ-CYBMUJFWSA-N 1 0 364.402 2.676 20 5 FFBDRO O=[N+]([O-])c1cnc(N2CCC[C@H](C[NH+]3CCOCC3)C2)c2ccccc21 ZINC000884498580 1007464997 /nfs/dbraw/zinc/46/49/97/1007464997.db2.gz FSPRMQIKJIUXNI-OAHLLOKOSA-N 1 0 356.426 2.692 20 5 FFBDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)C1 ZINC000818565004 1007944437 /nfs/dbraw/zinc/94/44/37/1007944437.db2.gz KPQCRDKJEUSWHS-HUUCEWRRSA-N 1 0 360.458 2.640 20 5 FFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]Cc2cccnc2OCC(F)(F)F)c1 ZINC000818953235 1007991322 /nfs/dbraw/zinc/99/13/22/1007991322.db2.gz JJFXXROFNDMCKE-AWEZNQCLSA-N 1 0 371.315 2.754 20 5 FFBDRO O=C1CCCN1Cc1cccc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000818958576 1007994275 /nfs/dbraw/zinc/99/42/75/1007994275.db2.gz RAQGGUPJDMHXBG-LJQANCHMSA-N 1 0 369.421 2.540 20 5 FFBDRO Cc1ccc([C@@H](C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)N2CCCC2)o1 ZINC000818997012 1008004611 /nfs/dbraw/zinc/00/46/11/1008004611.db2.gz PKJFHGFGZZCZMS-MSOLQXFVSA-N 1 0 359.426 2.956 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H]2CCN(c3ccc(F)cc3F)C2)cc1 ZINC000819033950 1008028010 /nfs/dbraw/zinc/02/80/10/1008028010.db2.gz UYHNIFKFGBYQHT-KBXCAEBGSA-N 1 0 363.364 2.775 20 5 FFBDRO COc1cccc(N2CCC[C@H]([NH2+]C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)c1 ZINC000819082422 1008029564 /nfs/dbraw/zinc/02/95/64/1008029564.db2.gz TUQMSWSMSAWAGQ-OXJNMPFZSA-N 1 0 371.437 2.895 20 5 FFBDRO CC(C)[C@H](C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)NC(=O)OC(C)(C)C ZINC000819077387 1008039097 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IVODSCOTOKAJLQ-UHFFFAOYSA-N 1 0 369.368 2.557 20 5 FFBDRO C[C@@H]1C[NH+](CCCNC(=O)c2cc([N+](=O)[O-])cc3ccccc32)C[C@@H](C)O1 ZINC000858238537 1008330366 /nfs/dbraw/zinc/33/03/66/1008330366.db2.gz KOGXKZDKVMFENN-HUUCEWRRSA-N 1 0 371.437 2.977 20 5 FFBDRO O=C(CC[N@H+]1CCC[C@@](O)(c2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000859588997 1008581385 /nfs/dbraw/zinc/58/13/85/1008581385.db2.gz ZFUTYBDSTXVADX-FQEVSTJZSA-N 1 0 369.421 2.907 20 5 FFBDRO C[NH+](C)CC[C@@H]1CCN(C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC001177531874 1008645053 /nfs/dbraw/zinc/64/50/53/1008645053.db2.gz ICGJPOJLVYVLBW-CYBMUJFWSA-N 1 0 353.850 2.981 20 5 FFBDRO COC[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[C@H]1CCCOC1 ZINC000886787626 1008879609 /nfs/dbraw/zinc/87/96/09/1008879609.db2.gz YXGBDCMPARRVNL-HNAYVOBHSA-N 1 0 363.458 2.595 20 5 FFBDRO Cc1c(C[N@H+]2[C@@H]3CC[C@H]2C[C@](O)(c2ccnn2C)C3)cccc1[N+](=O)[O-] ZINC000887049987 1008997154 /nfs/dbraw/zinc/99/71/54/1008997154.db2.gz WFADZOZWLBWVDY-MNZLEMJZSA-N 1 0 356.426 2.651 20 5 FFBDRO Cc1cc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(N)c([N+](=O)[O-])c1 ZINC000126434823 1009229620 /nfs/dbraw/zinc/22/96/20/1009229620.db2.gz XQYUQPDFDBSYET-CJNGLKHVSA-N 1 0 358.442 2.574 20 5 FFBDRO COCC[N@H+]1[C@H](C)CN(c2c3ccc(OC)cc3ncc2[N+](=O)[O-])C[C@@H]1C ZINC000826632116 1009901083 /nfs/dbraw/zinc/90/10/83/1009901083.db2.gz CJURHZJVARBNTN-OKILXGFUSA-N 1 0 374.441 2.697 20 5 FFBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000794487674 1010115806 /nfs/dbraw/zinc/11/58/06/1010115806.db2.gz AZQSIFWCWIMKIX-FLIBITNWSA-N 1 0 365.433 2.995 20 5 FFBDRO C[N@@H+]1C[C@@]23CN(C(=O)CCOc4ccccc4[N+](=O)[O-])C[C@]2(C1)CCCC3 ZINC001181504332 1010123320 /nfs/dbraw/zinc/12/33/20/1010123320.db2.gz AWXCHQOHFCMDAI-BGYRXZFFSA-N 1 0 373.453 2.698 20 5 FFBDRO Cc1cc(NCC[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)nc(C(C)C)n1 ZINC000863575822 1010260898 /nfs/dbraw/zinc/26/08/98/1010260898.db2.gz KBZUICZTMKBZEX-INIZCTEOSA-N 1 0 359.430 2.552 20 5 FFBDRO C[NH2+]C1(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)CCC1 ZINC000863923440 1010359867 /nfs/dbraw/zinc/35/98/67/1010359867.db2.gz TVNZLPSOKCRKSA-UHFFFAOYSA-N 1 0 360.458 2.703 20 5 FFBDRO C[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CCC1(C)C ZINC000866115325 1010930668 /nfs/dbraw/zinc/93/06/68/1010930668.db2.gz ZFJCIZWSGVFKQS-UHFFFAOYSA-N 1 0 360.458 2.751 20 5 FFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1ccc(N2CCOCC2)nc1 ZINC000866224532 1010955374 /nfs/dbraw/zinc/95/53/74/1010955374.db2.gz YIIBJCGLTJSUQC-AWEZNQCLSA-N 1 0 374.416 2.686 20 5 FFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CCCN(c2ncccn2)C1 ZINC000866238672 1010959358 /nfs/dbraw/zinc/95/93/58/1010959358.db2.gz QSIOVQISKKNQPC-CZUORRHYSA-N 1 0 359.405 2.714 20 5 FFBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC001171862406 1011512323 /nfs/dbraw/zinc/51/23/23/1011512323.db2.gz ZBQDAESGLPMSPV-CYBMUJFWSA-N 1 0 364.421 2.843 20 5 FFBDRO COC(=O)CC1([NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCOCC1 ZINC001172898409 1012073287 /nfs/dbraw/zinc/07/32/87/1012073287.db2.gz AKTUPKBXXCARBR-MRXNPFEDSA-N 1 0 362.426 2.544 20 5 FFBDRO O=C1NCc2ccccc2[C@@H]1[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172912748 1012125414 /nfs/dbraw/zinc/12/54/14/1012125414.db2.gz OZFMVFZKWMMNLV-LPHOPBHVSA-N 1 0 351.406 2.803 20 5 FFBDRO C[C@@H]1C[N@@H+](C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)CC[C@H]1O ZINC001173010220 1012179272 /nfs/dbraw/zinc/17/92/72/1012179272.db2.gz OAAAXZNQKIHBSE-BDJLRTHQSA-N 1 0 355.385 2.545 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(N2CCC([N@@H+]3CCCC4(COC4)C3)CC2)c(F)c1 ZINC001173009608 1012179631 /nfs/dbraw/zinc/17/96/31/1012179631.db2.gz FISNURLWFYHYNJ-UHFFFAOYSA-N 1 0 367.396 2.954 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(N2CCC([N@@H+]3CCN4CCC3CC4)CC2)c(F)c1 ZINC001173015607 1012186996 /nfs/dbraw/zinc/18/69/96/1012186996.db2.gz TZBGLZANUIVPCU-UHFFFAOYSA-N 1 0 366.412 2.622 20 5 FFBDRO CC(=O)[C@@H]1CCC[N@@H+]1C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173015556 1012187140 /nfs/dbraw/zinc/18/71/40/1012187140.db2.gz FJBKVRCYRMJVIG-INIZCTEOSA-N 1 0 353.369 2.895 20 5 FFBDRO CCC(=O)N1CCC([NH2+][C@@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])CC1 ZINC001173176301 1012320210 /nfs/dbraw/zinc/32/02/10/1012320210.db2.gz FVUZUUQTTGWGFC-LBPRGKRZSA-N 1 0 367.421 2.664 20 5 FFBDRO COC(=O)[C@@H]1CCC[N@@H+]([C@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C1 ZINC001173185912 1012328559 /nfs/dbraw/zinc/32/85/59/1012328559.db2.gz QAQJIZYDRHVNLA-VXGBXAGGSA-N 1 0 354.378 2.559 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C[C@@H](O)c2cccc(O)c2)c1F ZINC001173188880 1012328730 /nfs/dbraw/zinc/32/87/30/1012328730.db2.gz LTJXQUSCERZZIB-MEDUHNTESA-N 1 0 364.373 2.702 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C2CCN(C3CC3)CC2)c1F ZINC001173188211 1012329176 /nfs/dbraw/zinc/32/91/76/1012329176.db2.gz JEPRNHXMDZIIHD-GFCCVEGCSA-N 1 0 351.422 2.890 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)n2c(=N)sc3c2CC[NH2+]C3)c1F ZINC001173195257 1012336879 /nfs/dbraw/zinc/33/68/79/1012336879.db2.gz DNEMFHNQAARPJC-VIFPVBQESA-N 1 0 366.418 2.534 20 5 FFBDRO CCOC[C@H]1C[N@@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)Cc2cn(C)nc21 ZINC001173223445 1012353496 /nfs/dbraw/zinc/35/34/96/1012353496.db2.gz FXJMCWBBAJQOGG-RHSMWYFYSA-N 1 0 358.442 2.895 20 5 FFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCOCCNC(=O)OC(C)(C)C ZINC001173222238 1012354942 /nfs/dbraw/zinc/35/49/42/1012354942.db2.gz VLUMTDYIGFMXGM-AWEZNQCLSA-N 1 0 367.446 2.657 20 5 FFBDRO CCOC[C@@H]1C[N@@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)Cc2cn(C)nc21 ZINC001173223450 1012354990 /nfs/dbraw/zinc/35/49/90/1012354990.db2.gz FXJMCWBBAJQOGG-YOEHRIQHSA-N 1 0 358.442 2.895 20 5 FFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCN(C(=O)c2ccco2)CC1 ZINC001173235398 1012366630 /nfs/dbraw/zinc/36/66/30/1012366630.db2.gz WQDQRSIWNHIMFM-HNNXBMFYSA-N 1 0 357.410 2.967 20 5 FFBDRO C[C@H](c1ccccc1)[C@@H](O)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000827309962 1017569156 /nfs/dbraw/zinc/56/91/56/1017569156.db2.gz IRSNTAZPTHLXFA-UZLBHIALSA-N 1 0 355.438 2.881 20 5 FFBDRO C[C@@H](NC(=O)N1CCN(c2cc[nH+]cc2)C[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000925253547 1017680690 /nfs/dbraw/zinc/68/06/90/1017680690.db2.gz YTXNKZDRZKRLEH-HUUCEWRRSA-N 1 0 369.425 2.971 20 5 FFBDRO CN1Cc2ccccc2[C@@H]1CNC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC000828490100 1032724813 /nfs/dbraw/zinc/72/48/13/1032724813.db2.gz XEVVKIFSCMRJDD-SFHVURJKSA-N 1 0 357.385 2.969 20 5 FFBDRO COC(=O)[C@]12C[N@H+](C/C(C)=C/c3cccc([N+](=O)[O-])c3)C[C@H]1COCC2 ZINC000475546332 1019498564 /nfs/dbraw/zinc/49/85/64/1019498564.db2.gz DNEWQFQNXVHFCE-YLIRLVPWSA-N 1 0 360.410 2.510 20 5 FFBDRO [NH3+][C@@H](Cc1nnc(Cc2cccc(F)c2)o1)Cc1ccc([N+](=O)[O-])cc1 ZINC001217716996 1032848374 /nfs/dbraw/zinc/84/83/74/1032848374.db2.gz RWSGJZBQVXRRNU-OAHLLOKOSA-N 1 0 356.357 2.820 20 5 FFBDRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCCC1CCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001048525255 1020275498 /nfs/dbraw/zinc/27/54/98/1020275498.db2.gz QHGQZMQFKVEQAK-RHQZKXFESA-N 1 0 363.502 2.981 20 5 FFBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000777963456 1020333308 /nfs/dbraw/zinc/33/33/08/1020333308.db2.gz LRKRULMXVJTOFP-APWZRJJASA-N 1 0 355.442 2.832 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931307641 1020414107 /nfs/dbraw/zinc/41/41/07/1020414107.db2.gz NOKLCXGXDPBTRT-OALUTQOASA-N 1 0 360.458 2.505 20 5 FFBDRO CC(C)(C)c1ccc(C[N@H+]2C[C@H]3CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C[C@H]3C2)cc1 ZINC001048814452 1020522322 /nfs/dbraw/zinc/52/23/22/1020522322.db2.gz LXULPNATEDVRGB-UKBAYJJMSA-N 1 0 371.481 2.540 20 5 FFBDRO COc1ccc2c(c1)C(=O)N(CN(C)CCc1cccc([N+](=O)[O-])c1)C2 ZINC000800866166 1020610313 /nfs/dbraw/zinc/61/03/13/1020610313.db2.gz VAZMBOBSFKZHNS-UHFFFAOYSA-N 1 0 355.394 2.691 20 5 FFBDRO COc1cc(O[C@@H]2CCCC[NH2+]C2)c2c(c1)oc1c(O)ccc(O)c1c2=O ZINC001217970723 1032924827 /nfs/dbraw/zinc/92/48/27/1032924827.db2.gz HTGJDAXYJVCHEB-LLVKDONJSA-N 1 0 371.389 2.887 20 5 FFBDRO O=[N+]([O-])c1ccc(O[C@@H]2CCCC[NH2+]C2)cc1I ZINC001217970376 1032925819 /nfs/dbraw/zinc/92/58/19/1032925819.db2.gz MCBBBXVDIGRYSN-SNVBAGLBSA-N 1 0 362.167 2.720 20 5 FFBDRO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cc3cccnc3[N+](=O)[O-])C[C@@H]2C1 ZINC000932727432 1020887051 /nfs/dbraw/zinc/88/70/51/1020887051.db2.gz OLJURAZYOCTOLN-UKRRQHHQSA-N 1 0 362.430 2.679 20 5 FFBDRO COc1ccc([C@H]2CCC[N@@H+]2C[C@H](O)COc2ccccc2[N+](=O)[O-])nc1 ZINC000934343792 1021204225 /nfs/dbraw/zinc/20/42/25/1021204225.db2.gz PLYVPNHFKIJCRI-WMLDXEAASA-N 1 0 373.409 2.575 20 5 FFBDRO CCc1oc(C(=O)OC)cc1CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000750032847 1021249379 /nfs/dbraw/zinc/24/93/79/1021249379.db2.gz IDGWDHYLGLCXFJ-UHFFFAOYSA-N 1 0 373.409 2.859 20 5 FFBDRO C[C@@H]1C[C@@H](Oc2cc(I)ccc2[N+](=O)[O-])CC[NH2+]1 ZINC001218063310 1032976002 /nfs/dbraw/zinc/97/60/02/1032976002.db2.gz YJYJNWFOIPYPTI-SCZZXKLOSA-N 1 0 362.167 2.719 20 5 FFBDRO COC(=O)c1cc(Cl)cc([N+](=O)[O-])c1O[C@@H]1CCC[C@]12CC[NH2+]C2 ZINC001218094141 1032991304 /nfs/dbraw/zinc/99/13/04/1032991304.db2.gz LSVPZGJADASEER-CZUORRHYSA-N 1 0 354.790 2.946 20 5 FFBDRO O=[N+]([O-])c1ccc(I)c(O[C@H]2CC[C@]23CC[NH2+]C3)c1 ZINC001218120064 1033008391 /nfs/dbraw/zinc/00/83/91/1033008391.db2.gz SNXSDUIEXIHEOM-QWHCGFSZSA-N 1 0 374.178 2.720 20 5 FFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000155241342 1022230382 /nfs/dbraw/zinc/23/03/82/1022230382.db2.gz JQZPADGHZCPBKF-OAHLLOKOSA-N 1 0 368.437 2.914 20 5 FFBDRO C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CCN1c1cc[nH+]cc1 ZINC000829216110 1033048181 /nfs/dbraw/zinc/04/81/81/1033048181.db2.gz UKASZFFUAVUIJH-ZMYBRWDISA-N 1 0 366.421 2.831 20 5 FFBDRO COc1ccc(CC[NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)cn1 ZINC001118808223 1022416605 /nfs/dbraw/zinc/41/66/05/1022416605.db2.gz PFBWJHKNRXEGTE-CYBMUJFWSA-N 1 0 358.398 2.548 20 5 FFBDRO CC(C)([NH3+])CCNC(=O)c1cc(F)cc2c1[nH]c1ccc(F)cc1c2=O ZINC001119372673 1022715508 /nfs/dbraw/zinc/71/55/08/1022715508.db2.gz RSSAKJZAUCBSGU-UHFFFAOYSA-N 1 0 359.376 2.817 20 5 FFBDRO O=C(CCC1CC[NH2+]CC1)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC001119375789 1022719055 /nfs/dbraw/zinc/71/90/55/1022719055.db2.gz UQJCESDUMPWIRH-UHFFFAOYSA-N 1 0 370.247 2.753 20 5 FFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([N@@H+](CC2=CCCCC2)CC2CC2)CC1 ZINC001039485656 1022759535 /nfs/dbraw/zinc/75/95/35/1022759535.db2.gz IKZSZWLSKPKOFR-RTBURBONSA-N 1 0 361.486 2.855 20 5 FFBDRO O=[N+]([O-])c1ccc(NCC[NH2+]C[C@H](O)COc2ccc(Cl)cc2)cc1 ZINC001120558275 1023360305 /nfs/dbraw/zinc/36/03/05/1023360305.db2.gz DAUJJBSVFFIRAB-INIZCTEOSA-N 1 0 365.817 2.690 20 5 FFBDRO O=[N+]([O-])c1ccccc1N1CCC(Oc2ccc3c(n2)CC[NH2+]CC3)CC1 ZINC001218383109 1033130871 /nfs/dbraw/zinc/13/08/71/1033130871.db2.gz GJRQEEBJCDIEGG-UHFFFAOYSA-N 1 0 368.437 2.726 20 5 FFBDRO CC(C)(C)OC(=O)NC[C@@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000754409142 1023466029 /nfs/dbraw/zinc/46/60/29/1023466029.db2.gz QUYKLORHVPRKSN-CVEARBPZSA-N 1 0 365.430 2.521 20 5 FFBDRO COc1cc(O[C@@H]2CC[C@H](C)[NH2+]C2)c2c(c1)oc1c(O)ccc(O)c1c2=O ZINC001218399088 1033138359 /nfs/dbraw/zinc/13/83/59/1033138359.db2.gz NQJGJBMFGWZXDU-WDEREUQCSA-N 1 0 371.389 2.885 20 5 FFBDRO O=[N+]([O-])c1cn(C[N@@H+]2CC[C@@H](C3CCOCC3)C2)nc1-c1ccncc1 ZINC000754784938 1023517787 /nfs/dbraw/zinc/51/77/87/1023517787.db2.gz RMFVOTSVFAPGQP-MRXNPFEDSA-N 1 0 357.414 2.559 20 5 FFBDRO C[C@@H]1CC[C@H](Oc2cccc(I)c2[N+](=O)[O-])C[NH2+]1 ZINC001218409205 1033141033 /nfs/dbraw/zinc/14/10/33/1033141033.db2.gz XZPXBDTVXQPBDV-BDAKNGLRSA-N 1 0 362.167 2.719 20 5 FFBDRO Cc1c(O[C@H](C[N+](=O)[O-])c2ccc3c(c2)OCO3)ccc2c1CC[NH2+]C2 ZINC001218408284 1033141056 /nfs/dbraw/zinc/14/10/56/1033141056.db2.gz FOMLANXNFICQEB-LJQANCHMSA-N 1 0 356.378 2.766 20 5 FFBDRO C[C@@H]1CC[C@H](Oc2cc(O)cc3oc4c(O)ccc(O)c4c(=O)c23)C[NH2+]1 ZINC001218408454 1033141574 /nfs/dbraw/zinc/14/15/74/1033141574.db2.gz QUZDWHNZMIWERS-KOLCDFICSA-N 1 0 357.362 2.582 20 5 FFBDRO CCn1cc([N+](=O)[O-])c(C(=O)O[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000755835393 1023642705 /nfs/dbraw/zinc/64/27/05/1023642705.db2.gz YQWGSEWGNRSYRX-ZBFHGGJFSA-N 1 0 372.425 2.879 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N(C)c1ccc(OCC[NH+](C)C)cc1 ZINC000756484167 1023717693 /nfs/dbraw/zinc/71/76/93/1023717693.db2.gz BOYJOYKPEOXMBF-UHFFFAOYSA-N 1 0 373.409 2.820 20 5 FFBDRO O=C(OC[C@@H]1CC[N@@H+]1C1CCOCC1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC001123346932 1023755395 /nfs/dbraw/zinc/75/53/95/1023755395.db2.gz PSDFOLMGGXRDTE-AWEZNQCLSA-N 1 0 354.790 2.658 20 5 FFBDRO CCn1c(-c2csc([N+](=O)[O-])c2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001121775394 1024004143 /nfs/dbraw/zinc/00/41/43/1024004143.db2.gz BXLYKSKASMSICO-UHFFFAOYSA-N 1 0 364.475 2.902 20 5 FFBDRO Cc1ccc(NCCCNC(=O)C2(C3CC[NH2+]CC3)CC2)c([N+](=O)[O-])c1 ZINC001121881980 1024131325 /nfs/dbraw/zinc/13/13/25/1024131325.db2.gz BYFXGTKNIULHPR-UHFFFAOYSA-N 1 0 360.458 2.601 20 5 FFBDRO CC[NH+](CC)CC[C@H](C)NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC001124046017 1024253983 /nfs/dbraw/zinc/25/39/83/1024253983.db2.gz BUDOMCNMUPHGNU-AWEZNQCLSA-N 1 0 373.457 2.846 20 5 FFBDRO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2F)CC1 ZINC000829563533 1033220454 /nfs/dbraw/zinc/22/04/54/1033220454.db2.gz ZDOSLDMKWVUZFH-UHFFFAOYSA-N 1 0 362.361 2.721 20 5 FFBDRO Cc1c(C(=O)NCC[C@H]2CCC[N@@H+](C)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000838142759 1026224635 /nfs/dbraw/zinc/22/46/35/1026224635.db2.gz PRVNGNUYKXVRAA-CYBMUJFWSA-N 1 0 364.402 2.582 20 5 FFBDRO COC(=O)[C@@H]1C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]1c1ccccc1 ZINC000839097170 1026588217 /nfs/dbraw/zinc/58/82/17/1026588217.db2.gz DEMGKYZKKXCPBN-GUDVDZBRSA-N 1 0 370.405 2.517 20 5 FFBDRO O=[N+]([O-])c1cnn(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000247010297 1026619460 /nfs/dbraw/zinc/61/94/60/1026619460.db2.gz LDOUXNSCMXYNRX-PKOBYXMFSA-N 1 0 355.442 2.735 20 5 FFBDRO CCOC(=O)C1(Nc2nc3ccccc3cc2[N+](=O)[O-])CC[NH+](C)CC1 ZINC001158572518 1027063651 /nfs/dbraw/zinc/06/36/51/1027063651.db2.gz MCVFKZKUCJRWFM-UHFFFAOYSA-N 1 0 358.398 2.582 20 5 FFBDRO CCOC(=O)c1c2c(sc1Nc1cc([N+](=O)[O-])cnc1C)C[NH2+]CC2 ZINC001159212661 1027314625 /nfs/dbraw/zinc/31/46/25/1027314625.db2.gz VBNDWYSSWQRZBU-UHFFFAOYSA-N 1 0 362.411 2.926 20 5 FFBDRO CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)O1 ZINC001159245341 1027323435 /nfs/dbraw/zinc/32/34/35/1027323435.db2.gz GJPYJUAIGAFGCR-MDZRGWNJSA-N 1 0 372.425 2.794 20 5 FFBDRO O=[N+]([O-])c1cccc(N[C@H]2CC[C@H]([NH+]3CCN(CC4CC4)CC3)CC2)n1 ZINC001159626298 1027448828 /nfs/dbraw/zinc/44/88/28/1027448828.db2.gz NNSCGKVBLRQOQS-QAQDUYKDSA-N 1 0 359.474 2.741 20 5 FFBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N[C@@H]2CC[NH2+]C[C@@H]2C(F)(F)F)n1 ZINC001160737841 1027843765 /nfs/dbraw/zinc/84/37/65/1027843765.db2.gz REYQVYNPJXKPPF-NTSWFWBYSA-N 1 0 371.772 2.712 20 5 FFBDRO O=[N+]([O-])c1cc(C(F)(F)N[C@@H]2CC[NH2+]C[C@@H]2C(F)(F)F)cnc1Cl ZINC001160737368 1027844635 /nfs/dbraw/zinc/84/46/35/1027844635.db2.gz PFKVWEUWUNNIEQ-JGVFFNPUSA-N 1 0 374.697 2.823 20 5 FFBDRO O=[N+]([O-])c1cc(C(F)(F)N[C@H]2CC[NH2+]C[C@H]2C(F)(F)F)cnc1Cl ZINC001160737370 1027845115 /nfs/dbraw/zinc/84/51/15/1027845115.db2.gz PFKVWEUWUNNIEQ-SFYZADRCSA-N 1 0 374.697 2.823 20 5 FFBDRO Cc1ccc(Cl)c(CCNc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)c1F ZINC001160801706 1027880800 /nfs/dbraw/zinc/88/08/00/1027880800.db2.gz CVNPCRPDDCYPPE-UHFFFAOYSA-N 1 0 365.796 2.827 20 5 FFBDRO COC(=O)c1cccc(C[NH+]2CCC(Nc3cccc([N+](=O)[O-])n3)CC2)c1 ZINC001161171653 1028049574 /nfs/dbraw/zinc/04/95/74/1028049574.db2.gz HXCRPDUKAYYYSN-UHFFFAOYSA-N 1 0 370.409 2.853 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N(CC(C)(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001161675139 1028275092 /nfs/dbraw/zinc/27/50/92/1028275092.db2.gz NSYSWGHBFWTLIH-JOCQHMNTSA-N 1 0 364.446 2.899 20 5 FFBDRO COc1nc(N[C@@H](c2cccc(F)c2)C2CC[NH2+]CC2)ncc1[N+](=O)[O-] ZINC001161819276 1028325056 /nfs/dbraw/zinc/32/50/56/1028325056.db2.gz COYDGIJMPHKADP-OAHLLOKOSA-N 1 0 361.377 2.685 20 5 FFBDRO O=[N+]([O-])c1cc(NCC2(c3cccnc3)CC[NH2+]CC2)nc2[nH]ccc21 ZINC001162036493 1028407622 /nfs/dbraw/zinc/40/76/22/1028407622.db2.gz KFSVUVQGFWOOLT-UHFFFAOYSA-N 1 0 352.398 2.599 20 5 FFBDRO C[NH+](C)C[C@H]1COCCN1c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC001154983925 1028536471 /nfs/dbraw/zinc/53/64/71/1028536471.db2.gz FYFWIHAWVUURJJ-HNNXBMFYSA-N 1 0 360.389 2.563 20 5 FFBDRO Nc1cc(NCCCP(CCC[NH3+])c2ccccc2)ncc1[N+](=O)[O-] ZINC001162466206 1028548673 /nfs/dbraw/zinc/54/86/73/1028548673.db2.gz AVGRNCULSDYNOC-UHFFFAOYSA-N 1 0 361.386 2.530 20 5 FFBDRO O=[N+]([O-])c1c(Cl)nc(C(F)(F)F)nc1NC[C@@]1(F)CCCC[NH2+]C1 ZINC001155117900 1028587112 /nfs/dbraw/zinc/58/71/12/1028587112.db2.gz JDXDLQJNYFPTCP-LLVKDONJSA-N 1 0 371.722 2.951 20 5 FFBDRO CC(C)(C)[C@H](C[NH+]1CCOCC1)Nc1ncnc2cc([N+](=O)[O-])ccc21 ZINC001162875850 1028689740 /nfs/dbraw/zinc/68/97/40/1028689740.db2.gz MSVAZNUGXKKVJB-INIZCTEOSA-N 1 0 359.430 2.697 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)ncnc2NCC[C@@H]1C[NH2+]Cc2cccn2C1 ZINC001155454836 1028742038 /nfs/dbraw/zinc/74/20/38/1028742038.db2.gz VHSJCWIGOKHKBE-CYBMUJFWSA-N 1 0 352.398 2.561 20 5 FFBDRO C[C@H](CN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000780763776 1028799740 /nfs/dbraw/zinc/79/97/40/1028799740.db2.gz OETHTRVLMBGZPI-QAPCUYQASA-N 1 0 357.458 2.882 20 5 FFBDRO C[C@@H](CNc1c2ccc(Br)cc2ncc1[N+](=O)[O-])C[NH+](C)C ZINC001163404910 1028917324 /nfs/dbraw/zinc/91/73/24/1028917324.db2.gz XUWWVUCLSUICJK-JTQLQIEISA-N 1 0 367.247 2.937 20 5 FFBDRO COC(=O)c1cnc(-n2c(C[NH3+])cc3cc(Cl)ccc32)c([N+](=O)[O-])c1 ZINC001155990333 1029003815 /nfs/dbraw/zinc/00/38/15/1029003815.db2.gz YROGPKDTRYTEAS-UHFFFAOYSA-N 1 0 360.757 2.832 20 5 FFBDRO Cc1nc(Cl)c([N+](=O)[O-])c(NCc2cccnc2C2CC[NH2+]CC2)n1 ZINC001155994967 1029005392 /nfs/dbraw/zinc/00/53/92/1029005392.db2.gz OBBBMJGWMWFGIV-UHFFFAOYSA-N 1 0 362.821 2.821 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])ncc1-n1c(C)c(C)c2cc(C[NH3+])ccc21 ZINC001163761737 1029053822 /nfs/dbraw/zinc/05/38/22/1029053822.db2.gz KYXYXIROQGHVIK-UHFFFAOYSA-N 1 0 354.366 2.796 20 5 FFBDRO [NH3+]Cc1cc2cc(Cl)ccc2n1-c1ccc([N+](=O)[O-])c2c1CNC2=O ZINC001163902364 1029110257 /nfs/dbraw/zinc/11/02/57/1029110257.db2.gz OBBPVPMNQIDOTP-UHFFFAOYSA-N 1 0 356.769 2.894 20 5 FFBDRO COc1cc2ncnc(N3CCC4(CC3)CC[NH+](C)CC4)c2cc1[N+](=O)[O-] ZINC001156575941 1029253622 /nfs/dbraw/zinc/25/36/22/1029253622.db2.gz HDVLPAFJLQFUIP-UHFFFAOYSA-N 1 0 371.441 2.859 20 5 FFBDRO Cc1cc(N[C@@H]2CC[C@H]3C[N@@H+](C)C[C@H]32)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164378887 1029267773 /nfs/dbraw/zinc/26/77/73/1029267773.db2.gz DAEFHPVTASFRST-USXIJHARSA-N 1 0 353.426 2.534 20 5 FFBDRO [NH3+]CC1(N(Cc2ccccc2)c2nccc3cc([N+](=O)[O-])ccc32)COC1 ZINC001156635638 1029280189 /nfs/dbraw/zinc/28/01/89/1029280189.db2.gz GHJFLDHERMURPA-UHFFFAOYSA-N 1 0 364.405 2.877 20 5 FFBDRO Cc1cc(Cl)ccc1C[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001164490605 1029296016 /nfs/dbraw/zinc/29/60/16/1029296016.db2.gz NXZFLFBCAZQCHL-HZPDHXFCSA-N 1 0 365.861 2.690 20 5 FFBDRO CCOC(=O)c1ccnc(N2C(C)(C)CC([NH3+])CC2(C)C)c1[N+](=O)[O-] ZINC001156774898 1029340409 /nfs/dbraw/zinc/34/04/09/1029340409.db2.gz IFIFFKDHBKIWJT-UHFFFAOYSA-N 1 0 350.419 2.651 20 5 FFBDRO CC[N@H+]([C@@H]1CCOC1)C1CCN(c2cc(Cl)cc([N+](=O)[O-])n2)CC1 ZINC001165107090 1029391768 /nfs/dbraw/zinc/39/17/68/1029391768.db2.gz FGFXFUQQTUEUPF-CQSZACIVSA-N 1 0 354.838 2.723 20 5 FFBDRO CCCC[NH+](CCCC)CCNc1nc(OC)c([N+](=O)[O-])c(OC)n1 ZINC001156904568 1029399624 /nfs/dbraw/zinc/39/96/24/1029399624.db2.gz BQKFLDZGYIIMHK-UHFFFAOYSA-N 1 0 355.439 2.716 20 5 FFBDRO CC[N@H+]([C@@H]1CCOC1)C1CCN(c2ccc3[nH]cc([N+](=O)[O-])c3n2)CC1 ZINC001165112359 1029400466 /nfs/dbraw/zinc/40/04/66/1029400466.db2.gz ZNEFNPZTLFQFIQ-CQSZACIVSA-N 1 0 359.430 2.551 20 5 FFBDRO C[NH+]1C[C@H]2CN(c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)nn3)C[C@@H]2C1 ZINC001165146532 1029420296 /nfs/dbraw/zinc/42/02/96/1029420296.db2.gz AQMUMTQJSXTVBL-STQMWFEESA-N 1 0 359.817 2.703 20 5 FFBDRO COc1nc(N(C)[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C)ncc1[N+](=O)[O-] ZINC001165184601 1029440288 /nfs/dbraw/zinc/44/02/88/1029440288.db2.gz XQFHDLZIBPQBPZ-WMLDXEAASA-N 1 0 371.441 2.740 20 5 FFBDRO COc1cnc(-n2nc(C3CC[NH2+]CC3)c3ccccc32)c([N+](=O)[O-])c1 ZINC001157377209 1029568552 /nfs/dbraw/zinc/56/85/52/1029568552.db2.gz CNTOHOJNDGELCV-UHFFFAOYSA-N 1 0 353.382 2.804 20 5 FFBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000136515857 1029571544 /nfs/dbraw/zinc/57/15/44/1029571544.db2.gz GWJQEMWZAJLVLG-INIZCTEOSA-N 1 0 370.453 2.999 20 5 FFBDRO COC(=O)c1ccnc(N(Cc2ccccc2)[C@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC001157433255 1029584811 /nfs/dbraw/zinc/58/48/11/1029584811.db2.gz GOGSOGYAMHULMT-HNNXBMFYSA-N 1 0 370.409 2.535 20 5 FFBDRO C[C@@]1(CO)C[C@@H](O)C[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000888092491 1029618257 /nfs/dbraw/zinc/61/82/57/1029618257.db2.gz XFOCXZYYRGKCKJ-PXAZEXFGSA-N 1 0 366.801 2.826 20 5 FFBDRO C[C@@H]1CN(Cn2nc(-c3ccc([N+](=O)[O-])cc3)oc2=O)[C@H]2CCCC[C@H]12 ZINC000782278102 1029637610 /nfs/dbraw/zinc/63/76/10/1029637610.db2.gz TWJJDWQQKIFWBA-WQVCFCJDSA-N 1 0 358.398 2.880 20 5 FFBDRO CCC[NH+]1C[C@@H]2CN(C(F)(F)c3cnc(Cl)c([N+](=O)[O-])c3)C[C@H]2C1 ZINC001157691518 1029646584 /nfs/dbraw/zinc/64/65/84/1029646584.db2.gz XDXAHMGYPHMBOH-GHMZBOCLSA-N 1 0 360.792 2.966 20 5 FFBDRO [NH3+]CCc1nc(-c2ccccc2)nn1-c1nccc2cc([N+](=O)[O-])ccc21 ZINC001157903493 1029682922 /nfs/dbraw/zinc/68/29/22/1029682922.db2.gz XUXCGAWBJSHYKF-UHFFFAOYSA-N 1 0 360.377 2.892 20 5 FFBDRO CCc1cc(-n2cc3c(n2)CC[C@@H]([NH3+])C3)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001157985823 1029701206 /nfs/dbraw/zinc/70/12/06/1029701206.db2.gz YGTCWBMAGKLRIU-CQSZACIVSA-N 1 0 364.409 2.616 20 5 FFBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001165202298 1029888050 /nfs/dbraw/zinc/88/80/50/1029888050.db2.gz MHVVUUQMGARVTF-CABCVRRESA-N 1 0 356.426 2.636 20 5 FFBDRO [NH3+]C1CC2(C1)CCN(c1nc(C(F)(F)F)nc(Cl)c1[N+](=O)[O-])CC2 ZINC001165245242 1029914235 /nfs/dbraw/zinc/91/42/35/1029914235.db2.gz ADZPXNSJHXSHPU-UHFFFAOYSA-N 1 0 365.743 2.765 20 5 FFBDRO [NH3+]C1CC2(C1)CCN(c1ccc(-c3ccc(F)c([N+](=O)[O-])c3)nn1)CC2 ZINC001165245429 1029914357 /nfs/dbraw/zinc/91/43/57/1029914357.db2.gz MJGLWLZGFTTXCD-UHFFFAOYSA-N 1 0 357.389 2.899 20 5 FFBDRO COc1cc(N2CCC3(CC[NH2+]CC3)[C@@H]2C(F)(F)F)ncc1[N+](=O)[O-] ZINC001165266474 1029921518 /nfs/dbraw/zinc/92/15/18/1029921518.db2.gz OUHMOGKCDVRGRM-CYBMUJFWSA-N 1 0 360.336 2.509 20 5 FFBDRO Cc1cc(N2C[C@H](CF)[C@@H](C3([NH3+])CC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001165437148 1029984035 /nfs/dbraw/zinc/98/40/35/1029984035.db2.gz VMCBQIBZKTWRST-HOCLYGCPSA-N 1 0 371.416 2.873 20 5 FFBDRO COCc1nn(-c2ccc3c(ccc(Cl)c3[N+](=O)[O-])n2)c2c1C[NH2+]C2 ZINC001165633841 1030062538 /nfs/dbraw/zinc/06/25/38/1030062538.db2.gz WRLUYESWQRQIMS-UHFFFAOYSA-N 1 0 359.773 2.732 20 5 FFBDRO Cc1nc(-n2nc(-c3ccc(F)cc3)c3c2CC[NH2+]CC3)ccc1[N+](=O)[O-] ZINC001165821942 1030136571 /nfs/dbraw/zinc/13/65/71/1030136571.db2.gz KHRASEITZBRQND-UHFFFAOYSA-N 1 0 367.384 2.978 20 5 FFBDRO Cc1c(Cl)nc(-c2ccc([N+](=O)[O-])cc2)nc1-n1ccnc1CC[NH3+] ZINC001166299167 1030351536 /nfs/dbraw/zinc/35/15/36/1030351536.db2.gz JJDSGUJXMPQPCB-UHFFFAOYSA-N 1 0 358.789 2.701 20 5 FFBDRO [NH3+]CCc1ccc(CNC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000841830396 1030491707 /nfs/dbraw/zinc/49/17/07/1030491707.db2.gz HYKBTTXPVNSZQE-UHFFFAOYSA-N 1 0 370.453 2.918 20 5 FFBDRO CSc1nc(Cl)nc(N2CCC([C@H]3CCC[NH2+]3)CC2)c1[N+](=O)[O-] ZINC001166902797 1030568693 /nfs/dbraw/zinc/56/86/93/1030568693.db2.gz KPUNQCLWBLPNCY-SNVBAGLBSA-N 1 0 357.867 2.729 20 5 FFBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCCN(c3ncccc3F)CC2)c1 ZINC000784405396 1030606916 /nfs/dbraw/zinc/60/69/16/1030606916.db2.gz JVFMPWYLUIGNGW-UHFFFAOYSA-N 1 0 360.389 2.720 20 5 FFBDRO CC[NH+]1CCN(c2cc(N(C)C(=O)[C@@H](C)C(C)C)cc([N+](=O)[O-])c2)CC1 ZINC001534796329 1069683008 /nfs/dbraw/zinc/68/30/08/1069683008.db2.gz VDDHCSBRFFZEHD-HNNXBMFYSA-N 1 0 362.474 2.992 20 5 FFBDRO CC(C)C[N@@H+]1CCO[C@H](COC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000842311359 1030678526 /nfs/dbraw/zinc/67/85/26/1030678526.db2.gz WFRCVURZEGBTNL-OKZBNKHCSA-N 1 0 362.426 2.598 20 5 FFBDRO C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)C1=O ZINC000842616760 1030831405 /nfs/dbraw/zinc/83/14/05/1030831405.db2.gz NIKPGBKIXBGMTO-IYJAJMOOSA-N 1 0 372.425 2.584 20 5 FFBDRO CC(C)C[N@@H+]1CCO[C@H](COC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000796880917 1030942732 /nfs/dbraw/zinc/94/27/32/1030942732.db2.gz ACLJKYJPHCPPDS-HNNXBMFYSA-N 1 0 364.442 2.772 20 5 FFBDRO COc1cc(Cc2noc([C@@H]3C[NH2+]Cc4ccccc43)n2)ccc1[N+](=O)[O-] ZINC000843192707 1031234870 /nfs/dbraw/zinc/23/48/70/1031234870.db2.gz XQDFVXMJDHUXIE-OAHLLOKOSA-N 1 0 366.377 2.812 20 5 FFBDRO CN(C)C(=O)C(=O)Nc1cc2oc3cc(=[NH2+])ccc-3nc2c2ccccc12 ZINC001143277606 1031383341 /nfs/dbraw/zinc/38/33/41/1031383341.db2.gz UYPVRHGADBKROG-UHFFFAOYSA-N 1 0 360.373 2.592 20 5 FFBDRO Cc1cccc(C)c1C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCCC1 ZINC001115530718 1031786800 /nfs/dbraw/zinc/78/68/00/1031786800.db2.gz NHMBXZCEDFTCLY-SJLPKXTDSA-N 1 0 359.470 2.877 20 5 FFBDRO O=C([C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)N1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001150941430 1031816674 /nfs/dbraw/zinc/81/66/74/1031816674.db2.gz DYEZXFHIJCGWFS-YSIASYRMSA-N 1 0 365.433 2.741 20 5 FFBDRO COc1cc(C[NH2+][C@@H](C)c2ccc(N3CCNC3=O)cc2)ccc1[N+](=O)[O-] ZINC000829754406 1033320164 /nfs/dbraw/zinc/32/01/64/1033320164.db2.gz ZHPDUIYUUXLNHH-ZDUSSCGKSA-N 1 0 370.409 2.984 20 5 FFBDRO Nc1cc2nc3ccccc3nc2cc1NC(=O)[C@@H]([NH3+])Cc1ccsc1 ZINC001218857010 1033378832 /nfs/dbraw/zinc/37/88/32/1033378832.db2.gz HWRCKCZSSFZSOY-ZDUSSCGKSA-N 1 0 363.446 2.935 20 5 FFBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000312696211 1033680679 /nfs/dbraw/zinc/68/06/79/1033680679.db2.gz QZAGCVIEWWLYLF-INIZCTEOSA-N 1 0 368.437 2.888 20 5 FFBDRO C[C@@H]1C[NH2+]C[C@H](CNC(=O)c2ccc3oc4ccccc4c(=O)c3c2)C1 ZINC001219667065 1033739439 /nfs/dbraw/zinc/73/94/39/1033739439.db2.gz SSPWCUOINLUNJO-UONOGXRCSA-N 1 0 350.418 2.922 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)c1F ZINC000831204707 1033991421 /nfs/dbraw/zinc/99/14/21/1033991421.db2.gz IGCUZQMVTFAAAR-CYBMUJFWSA-N 1 0 367.396 2.985 20 5 FFBDRO CC(C)[C@H](CO)[C@@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C(C)C ZINC000831663843 1034188272 /nfs/dbraw/zinc/18/82/72/1034188272.db2.gz KKQBXMKIVWQMMV-KSSFIOAISA-N 1 0 369.437 2.941 20 5 FFBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc2c(n1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001225538537 1034295086 /nfs/dbraw/zinc/29/50/86/1034295086.db2.gz REVWRWPDCUHCAQ-HNNXBMFYSA-N 1 0 364.510 2.891 20 5 FFBDRO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1Oc1ccc([N+](=O)[O-])cc1C(N)=O ZINC001226165513 1034554443 /nfs/dbraw/zinc/55/44/43/1034554443.db2.gz LLWMESBQOZWIPA-AUUYWEPGSA-N 1 0 369.421 2.983 20 5 FFBDRO COC(=O)Cc1ccc(O[C@H]2CC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001226215510 1034575193 /nfs/dbraw/zinc/57/51/93/1034575193.db2.gz XRSGHOSTUWNUGI-KRWDZBQOSA-N 1 0 370.405 2.964 20 5 FFBDRO CC(C)N(CC[NH+]1CCCCCC1)C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000832516943 1034836532 /nfs/dbraw/zinc/83/65/32/1034836532.db2.gz COFYDGVXLFYYNS-GOSISDBHSA-N 1 0 363.458 2.741 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(O[C@@H]2CC[N@@H+]([C@@H](C)c3ccccn3)C2)c1 ZINC001227044709 1034919092 /nfs/dbraw/zinc/91/90/92/1034919092.db2.gz QXVNLPBPSLVOLS-DZGCQCFKSA-N 1 0 371.393 2.991 20 5 FFBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)CC1 ZINC000832731913 1034930383 /nfs/dbraw/zinc/93/03/83/1034930383.db2.gz WIAKJCJGTVDZMW-YOEHRIQHSA-N 1 0 360.458 2.640 20 5 FFBDRO O=[N+]([O-])c1c[n+]([O-])ccc1O[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC001229455649 1036685304 /nfs/dbraw/zinc/68/53/04/1036685304.db2.gz KXPCFAAUCYWHRA-JFIYKMOQSA-N 1 0 355.394 2.518 20 5 FFBDRO CC(=O)O[C@H]1C[C@@H]2C[C@H](Oc3cc([N+](=O)[O-])c(C)cc3F)C[C@H]1[N@@H+]2C ZINC001234058525 1036898093 /nfs/dbraw/zinc/89/80/93/1036898093.db2.gz FNQRIUHWEAQXCT-VGWHQZGPSA-N 1 0 352.362 2.588 20 5 FFBDRO CC[N@@H+]1CC[C@@H](Oc2ccc(I)c([N+](=O)[O-])c2)C1 ZINC001229952178 1036995222 /nfs/dbraw/zinc/99/52/22/1036995222.db2.gz XHMLLLRECDDGPP-SNVBAGLBSA-N 1 0 362.167 2.672 20 5 FFBDRO COc1c(O[C@H](C)C[N+](C)(C)C)c2nccc3c4ccccc4n(c32)c1=O ZINC001234724223 1037156460 /nfs/dbraw/zinc/15/64/60/1037156460.db2.gz XUFYFOGTUQWJQG-CYBMUJFWSA-N 1 0 366.441 2.921 20 5 FFBDRO CCOc1cc(NC(=O)NCC[NH+]2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC001207121741 1037168495 /nfs/dbraw/zinc/16/84/95/1037168495.db2.gz METDGAHFXLHBEQ-UHFFFAOYSA-N 1 0 350.419 2.847 20 5 FFBDRO COC(=O)COc1ccc(C[N@H+](C)[C@H]2CC[C@H](SC)C2)cc1[N+](=O)[O-] ZINC001255648830 1038100968 /nfs/dbraw/zinc/10/09/68/1038100968.db2.gz KNKDZHRVQCSYPC-KBPBESRZSA-N 1 0 368.455 2.863 20 5 FFBDRO COc1cc(N2CCC([N@@H+]3CCC[C@@H](C)[C@H]3CO)CC2)ccc1[N+](=O)[O-] ZINC001256092955 1038378552 /nfs/dbraw/zinc/37/85/52/1038378552.db2.gz CFALUFULMPRPMP-RDTXWAMCSA-N 1 0 363.458 2.665 20 5 FFBDRO COc1cc(N2CCC([N@@H+]3CCC(=O)C(C)(C)C3)CC2)ccc1[N+](=O)[O-] ZINC001256100784 1038384605 /nfs/dbraw/zinc/38/46/05/1038384605.db2.gz OZCPOWYQHDLUNM-UHFFFAOYSA-N 1 0 361.442 2.873 20 5 FFBDRO COc1cc(N2CCC([N@@H+]3CC[C@@H](N(C)C4CC4)C3)CC2)ccc1[N+](=O)[O-] ZINC001256101205 1038384869 /nfs/dbraw/zinc/38/48/69/1038384869.db2.gz CAIQRLPEQCLSQX-GOSISDBHSA-N 1 0 374.485 2.741 20 5 FFBDRO Cc1cncc([N+](=O)[O-])c1N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC001258055185 1039145994 /nfs/dbraw/zinc/14/59/94/1039145994.db2.gz HHTOALNKRDRPDH-UHFFFAOYSA-N 1 0 369.469 2.552 20 5 FFBDRO C[C@@H]1C[NH+](CCc2nnc(-c3cc(Cl)ccc3[N+](=O)[O-])o2)C[C@@H](C)O1 ZINC001258144469 1039224688 /nfs/dbraw/zinc/22/46/88/1039224688.db2.gz CIOGRMWHTBDNKR-GHMZBOCLSA-N 1 0 366.805 2.950 20 5 FFBDRO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1Br ZINC001251758675 1039291244 /nfs/dbraw/zinc/29/12/44/1039291244.db2.gz WTLYRQJWGZYNOO-ZIAGYGMSSA-N 1 0 370.247 2.960 20 5 FFBDRO COCCCN([C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC001246809901 1039488976 /nfs/dbraw/zinc/48/89/76/1039488976.db2.gz UDPFFTPKLDVBOC-WBVHZDCISA-N 1 0 365.474 2.625 20 5 FFBDRO CC1(C)CN(C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)CC[NH2+]1 ZINC001246816929 1039491835 /nfs/dbraw/zinc/49/18/35/1039491835.db2.gz MXNHURQVFLXAPP-UHFFFAOYSA-N 1 0 354.401 2.526 20 5 FFBDRO CC(=O)c1ccc(-c2noc(C[C@H]([NH3+])Cc3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC001248215558 1040178024 /nfs/dbraw/zinc/17/80/24/1040178024.db2.gz GYVDXDYKJIYCLH-MRXNPFEDSA-N 1 0 366.377 2.960 20 5 FFBDRO CN(C)c1ccc(-c2noc(C[C@@H]([NH3+])c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC001249277573 1040664600 /nfs/dbraw/zinc/66/46/00/1040664600.db2.gz PHUUPZGTJMXPFA-MRXNPFEDSA-N 1 0 353.382 2.953 20 5 FFBDRO COC(=O)[C@@H]1C[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1(C)C ZINC001254467077 1040734144 /nfs/dbraw/zinc/73/41/44/1040734144.db2.gz VMKMQRRILLWUOA-IRXDYDNUSA-N 1 0 361.442 2.741 20 5 FFBDRO COC(=O)C1(C)CC[NH+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001254478827 1040745108 /nfs/dbraw/zinc/74/51/08/1040745108.db2.gz KUBBQWXXXSOHNK-UHFFFAOYSA-N 1 0 361.442 2.839 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001254532059 1040784430 /nfs/dbraw/zinc/78/44/30/1040784430.db2.gz JIUIZPMVSKDSGE-UTXMOHQDSA-N 1 0 361.442 2.981 20 5 FFBDRO COCCN1CC[N@@H+]([C@@H](C)Cc2ccccc2[N+](=O)[O-])Cc2cccnc21 ZINC001254557331 1040796840 /nfs/dbraw/zinc/79/68/40/1040796840.db2.gz PPODURYJSAAUIJ-INIZCTEOSA-N 1 0 370.453 2.889 20 5 FFBDRO Cc1cc(N([C@@H](C)Cc2ccccc2[N+](=O)[O-])C2CC[NH2+]CC2)ncn1 ZINC001254568000 1040805208 /nfs/dbraw/zinc/80/52/08/1040805208.db2.gz DYIMNGVXWXKCBX-HNNXBMFYSA-N 1 0 355.442 2.883 20 5 FFBDRO COc1ccnc(O[C@@H]2CCC[N@@H+]([C@H](C)Cc3ccccc3[N+](=O)[O-])C2)n1 ZINC001254567329 1040805956 /nfs/dbraw/zinc/80/59/56/1040805956.db2.gz BPDGQZPBHQOSIN-GDBMZVCRSA-N 1 0 372.425 2.868 20 5 FFBDRO CCCNC(=O)COC1CC[NH+]([C@@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254571409 1040808357 /nfs/dbraw/zinc/80/83/57/1040808357.db2.gz ULGYHXIIMLGHLV-HNNXBMFYSA-N 1 0 363.458 2.533 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]Cc1ccc(OC3CCOCC3)nc1)C2 ZINC001254584768 1040816079 /nfs/dbraw/zinc/81/60/79/1040816079.db2.gz UCLSZOGDHOZJSW-QGZVFWFLSA-N 1 0 369.421 2.805 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]Cc1cc(OC3CCOCC3)ccn1)C2 ZINC001254587339 1040818010 /nfs/dbraw/zinc/81/80/10/1040818010.db2.gz PIESJCPMMUIDRC-INIZCTEOSA-N 1 0 369.421 2.805 20 5 FFBDRO O=C(N[C@H]1CC[C@H]([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1)C1CCC1 ZINC001254587991 1040818127 /nfs/dbraw/zinc/81/81/27/1040818127.db2.gz UJVNXXKLMFUKNT-KZNAEPCWSA-N 1 0 357.454 2.879 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]CC1(c3ncccc3F)CCOCC1)C2 ZINC001254587259 1040818178 /nfs/dbraw/zinc/81/81/78/1040818178.db2.gz OIVCYEZIMSZINK-INIZCTEOSA-N 1 0 371.412 2.934 20 5 FFBDRO CCOC(=O)[C@@H](C[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC001254587800 1040818567 /nfs/dbraw/zinc/81/85/67/1040818567.db2.gz ZOYSAUURSHZGFX-HKUYNNGSSA-N 1 0 354.406 2.999 20 5 FFBDRO CC1(COc2ccc(C[NH2+][C@H]3Cc4ccc([N+](=O)[O-])cc4C3)cn2)COC1 ZINC001254585698 1040818635 /nfs/dbraw/zinc/81/86/35/1040818635.db2.gz FBPPNJMRJJYGBW-KRWDZBQOSA-N 1 0 369.421 2.662 20 5 FFBDRO CCn1ncc2c1[C@H](COC)C[N@@H+]([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254597625 1040828362 /nfs/dbraw/zinc/82/83/62/1040828362.db2.gz UIFBMOKVQPWTLT-FUHWJXTLSA-N 1 0 356.426 2.524 20 5 FFBDRO COc1cccnc1O[C@@H]1CC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254611008 1040838949 /nfs/dbraw/zinc/83/89/49/1040838949.db2.gz NVCCHTVFNWVVKD-DLBZAZTESA-N 1 0 355.394 2.619 20 5 FFBDRO CCOc1ccc(C(=O)N2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC001262808401 1041870008 /nfs/dbraw/zinc/87/00/08/1041870008.db2.gz BCULIQYXQCMNBS-XHSDSOJGSA-N 1 0 361.442 2.796 20 5 FFBDRO C[C@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CC[C@@H]1C[NH3+] ZINC001263213627 1042176128 /nfs/dbraw/zinc/17/61/28/1042176128.db2.gz APZQSVXUKBWVIB-DTWKUNHWSA-N 1 0 374.210 2.553 20 5 FFBDRO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC001263225680 1042182280 /nfs/dbraw/zinc/18/22/80/1042182280.db2.gz UWEVEHVIBCYNMG-KRWDZBQOSA-N 1 0 351.834 2.925 20 5 FFBDRO Cc1ccc(C)c(S(=O)(=O)NC2CCC(C)([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC001309781074 1043523805 /nfs/dbraw/zinc/52/38/05/1043523805.db2.gz YFJCGLIHGNDPBB-UHFFFAOYSA-N 1 0 369.487 2.753 20 5 FFBDRO CCOc1cc(NC(=O)NC[C@@H](C)C[NH+](C)C)c([N+](=O)[O-])cc1OCC ZINC001309999601 1043621775 /nfs/dbraw/zinc/62/17/75/1043621775.db2.gz IZVHHFDQROPNEB-GFCCVEGCSA-N 1 0 368.434 2.711 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N(C)C1CC[NH+](C(C)C)CC1 ZINC001310594953 1043710654 /nfs/dbraw/zinc/71/06/54/1043710654.db2.gz NOZSYFWYHKIFAI-UHFFFAOYSA-N 1 0 350.419 2.940 20 5 FFBDRO C[N@@H+]1CC[C@@H](NC(=O)NCc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(F)cc1 ZINC001319691113 1045241668 /nfs/dbraw/zinc/24/16/68/1045241668.db2.gz NAAVHYQBGHARSX-MSOLQXFVSA-N 1 0 372.400 2.979 20 5 FFBDRO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001318425275 1045297181 /nfs/dbraw/zinc/29/71/81/1045297181.db2.gz GWQJKFCHUDLEPA-IAGOWNOFSA-N 1 0 374.485 2.800 20 5 FFBDRO CC[NH+](CC)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC001320869276 1045485270 /nfs/dbraw/zinc/48/52/70/1045485270.db2.gz NJLPNSDCWMDMPP-UHFFFAOYSA-N 1 0 369.487 2.707 20 5 FFBDRO C[N@@H+](Cc1cc2ccccc2[nH]1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC001320887251 1045488206 /nfs/dbraw/zinc/48/82/06/1045488206.db2.gz AVZGBUCOXXUECP-INIZCTEOSA-N 1 0 355.394 2.948 20 5 FFBDRO CC1CC[NH+](CCc2nnc(-c3cc([N+](=O)[O-])ccc3N(C)C)o2)CC1 ZINC001328380526 1048280065 /nfs/dbraw/zinc/28/00/65/1048280065.db2.gz OKMGGULLQPFTSQ-UHFFFAOYSA-N 1 0 359.430 2.985 20 5 FFBDRO O=C(NC[C@H]1CC[N@@H+]1Cc1ccccc1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001328436695 1048304261 /nfs/dbraw/zinc/30/42/61/1048304261.db2.gz KJMVXGXHWHJHML-LJQANCHMSA-N 1 0 366.421 2.895 20 5 FFBDRO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC001332911451 1048617363 /nfs/dbraw/zinc/61/73/63/1048617363.db2.gz JDZPKTIYFWELES-CHWSQXEVSA-N 1 0 351.834 2.924 20 5 FFBDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Cc2cccc(F)c2[N+](=O)[O-])C1 ZINC001292072409 1049101289 /nfs/dbraw/zinc/10/12/89/1049101289.db2.gz RGTMZRXYEHAKMQ-CYBMUJFWSA-N 1 0 351.422 2.903 20 5 FFBDRO C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC001292879851 1049425968 /nfs/dbraw/zinc/42/59/68/1049425968.db2.gz CIYKVGCKPCIIBA-ZBFHGGJFSA-N 1 0 372.425 2.511 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC001341709271 1050329199 /nfs/dbraw/zinc/32/91/99/1050329199.db2.gz KURGRWGFTWTCEY-NEPJUHHUSA-N 1 0 359.348 2.872 20 5 FFBDRO C[NH+](C)[C@@H]1C[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C12CCC2 ZINC001301550239 1050919308 /nfs/dbraw/zinc/91/93/08/1050919308.db2.gz ZMKRKKTYUFWEER-LSDHHAIUSA-N 1 0 351.834 2.780 20 5 FFBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC001542262189 1071199030 /nfs/dbraw/zinc/19/90/30/1071199030.db2.gz DBZXEBCSJJZMBW-MGPQQGTHSA-N 1 0 351.422 2.759 20 5 FFBDRO CC(C)(C(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC001342480882 1051081743 /nfs/dbraw/zinc/08/17/43/1051081743.db2.gz GKPWOIYFBZJSCB-OLZOCXBDSA-N 1 0 359.348 2.611 20 5 FFBDRO [NH3+][C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[C@H]1C(F)(F)F ZINC001342492242 1051094583 /nfs/dbraw/zinc/09/45/83/1051094583.db2.gz OORNSWGKAURUOP-MWLCHTKSSA-N 1 0 351.712 2.600 20 5 FFBDRO Cc1cnc(C(=O)Nc2cc(N3CC[NH+](C)CC3)ccc2[N+](=O)[O-])c(C)c1 ZINC001340880609 1051213846 /nfs/dbraw/zinc/21/38/46/1051213846.db2.gz GFUXUXKIUMLORV-UHFFFAOYSA-N 1 0 369.425 2.611 20 5 FFBDRO O=C(N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC001342982531 1051598054 /nfs/dbraw/zinc/59/80/54/1051598054.db2.gz MMDPYKAGVKEVTJ-HNAYVOBHSA-N 1 0 353.378 2.581 20 5 FFBDRO O=C(O[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1)c1cc2cccn2cn1 ZINC001345006509 1052194715 /nfs/dbraw/zinc/19/47/15/1052194715.db2.gz JQJHVACRNMJZBW-KRWDZBQOSA-N 1 0 366.377 2.674 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001345140323 1052286113 /nfs/dbraw/zinc/28/61/13/1052286113.db2.gz YTFXSXNNTANALF-OAHLLOKOSA-N 1 0 368.231 2.716 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@H]1CCC[NH2+]CC1 ZINC001343642174 1052351629 /nfs/dbraw/zinc/35/16/29/1052351629.db2.gz VVEMKUZDSPHENV-NEPJUHHUSA-N 1 0 355.822 2.521 20 5 FFBDRO O=C(NCC[C@H]1CCC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1Br ZINC001343677578 1052370354 /nfs/dbraw/zinc/37/03/54/1052370354.db2.gz WYVZYSAZXBXODL-NSHDSACASA-N 1 0 370.247 2.867 20 5 FFBDRO [NH3+]C[C@]12CC[C@H]1CCCN2C(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC001345344216 1052395377 /nfs/dbraw/zinc/39/53/77/1052395377.db2.gz AZZNREXXEOZDCF-SJKOYZFVSA-N 1 0 351.834 2.911 20 5 FFBDRO CC1(C)CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1c1ccccc1 ZINC001308113290 1052410250 /nfs/dbraw/zinc/41/02/50/1052410250.db2.gz MIFOILXVHXNLHG-QZTJIDSGSA-N 1 0 358.442 2.668 20 5 FFBDRO CC1(C)CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1c1ccccc1 ZINC001308113292 1052410660 /nfs/dbraw/zinc/41/06/60/1052410660.db2.gz MIFOILXVHXNLHG-ROUUACIJSA-N 1 0 358.442 2.668 20 5 FFBDRO C[C@H](NCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])[C@H]1C[N@H+](C)CCN1C ZINC001308949276 1052525088 /nfs/dbraw/zinc/52/50/88/1052525088.db2.gz XPOVVTKPVNKLNI-IINYFYTJSA-N 1 0 361.273 2.626 20 5 FFBDRO Cc1nn(C)c(C)c1[C@H](O)C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC001308979115 1052530738 /nfs/dbraw/zinc/53/07/38/1052530738.db2.gz RUOWDVZJBKWPNS-HHXXYDBFSA-N 1 0 372.469 2.980 20 5 FFBDRO Cc1cc(S(=O)(=O)NCC2([NH+](C)C)CCCCC2)c(C)cc1[N+](=O)[O-] ZINC001309010474 1052538564 /nfs/dbraw/zinc/53/85/64/1052538564.db2.gz FLQIJMDDXSKDDJ-UHFFFAOYSA-N 1 0 369.487 2.754 20 5 FFBDRO [NH3+]CCc1ccc2c(c1)CCCN2C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC001345636924 1052550131 /nfs/dbraw/zinc/55/01/31/1052550131.db2.gz HDEJKXWBXCZTNF-UHFFFAOYSA-N 1 0 373.384 2.593 20 5 FFBDRO Cc1ccc(S(=O)(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC001309282175 1052590818 /nfs/dbraw/zinc/59/08/18/1052590818.db2.gz GNOFPCSTKQAUKZ-UMVBOHGHSA-N 1 0 369.487 2.548 20 5 FFBDRO Cc1nnc(N(C)CCc2ccccc2[N+](=O)[O-])n1CC[NH+]1CCCCC1 ZINC001543163024 1071399913 /nfs/dbraw/zinc/39/99/13/1071399913.db2.gz PNTNIZJUSZWEMJ-UHFFFAOYSA-N 1 0 372.473 2.660 20 5 FFBDRO C[NH2+]Cc1ccccc1CNC(=O)NC[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001336241501 1053864271 /nfs/dbraw/zinc/86/42/71/1053864271.db2.gz RCMAYQHRMFZCFX-CQSZACIVSA-N 1 0 356.426 2.917 20 5 FFBDRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001543376030 1071462659 /nfs/dbraw/zinc/46/26/59/1071462659.db2.gz UUIQXGAIDAWVLE-DFQSSKMNSA-N 1 0 367.449 2.987 20 5 FFBDRO Cc1cc(NC(=O)N2CCC[C@H]([NH2+]C3CCOCC3)C2)cc([N+](=O)[O-])c1 ZINC001347888937 1054425683 /nfs/dbraw/zinc/42/56/83/1054425683.db2.gz DHHQTWXLXONBRN-HNNXBMFYSA-N 1 0 362.430 2.668 20 5 FFBDRO COc1cc([C@H](C)[NH2+]C[C@H](CO)CC2CCOCC2)cc([N+](=O)[O-])c1 ZINC001337821945 1055039764 /nfs/dbraw/zinc/03/97/64/1055039764.db2.gz OXODUWRDTBWVIE-DZGCQCFKSA-N 1 0 352.431 2.679 20 5 FFBDRO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cc(Cl)cc(Cl)c3[N+](=O)[O-])[C@H]2C1 ZINC001337834525 1055046812 /nfs/dbraw/zinc/04/68/12/1055046812.db2.gz PPBQMVYJPSBEAS-LJUAHTATSA-N 1 0 358.225 2.972 20 5 FFBDRO C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001338334992 1055427301 /nfs/dbraw/zinc/42/73/01/1055427301.db2.gz IBSBOSJDODELGJ-SYAUCNOPSA-N 1 0 358.442 2.577 20 5 FFBDRO O=C([C@@H]1CC[N@H+](Cc2ccccc2)C1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001349788171 1055468830 /nfs/dbraw/zinc/46/88/30/1055468830.db2.gz WMLULGUHIBRDGI-QGZVFWFLSA-N 1 0 351.406 2.959 20 5 FFBDRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001349833941 1055492720 /nfs/dbraw/zinc/49/27/20/1055492720.db2.gz NYGNNSDUIWXAQT-MSOLQXFVSA-N 1 0 358.442 2.679 20 5 FFBDRO Cn1ccnc1[C@@H](Cc1ccccc1)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001356620124 1055619316 /nfs/dbraw/zinc/61/93/16/1055619316.db2.gz CDMICLXZJZQYPU-MOPGFXCFSA-N 1 0 366.421 2.935 20 5 FFBDRO COc1ccc(NC(=[NH2+])NCc2ccc(OC)c([N+](=O)[O-])c2)cc1OC ZINC000849065374 1055620141 /nfs/dbraw/zinc/62/01/41/1055620141.db2.gz YSVQWZMWRQZGCN-UHFFFAOYSA-N 1 0 360.370 2.757 20 5 FFBDRO CCn1c([C@@H]2CCC[N@H+](C)C2)nnc1N(C)Cc1ccccc1[N+](=O)[O-] ZINC001352660040 1055692073 /nfs/dbraw/zinc/69/20/73/1055692073.db2.gz BOIAKXXDGXTOBP-OAHLLOKOSA-N 1 0 358.446 2.652 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001352760267 1055773606 /nfs/dbraw/zinc/77/36/06/1055773606.db2.gz ITAXHVFFOGTQJS-BFHYXJOUSA-N 1 0 362.430 2.797 20 5 FFBDRO CC[N@@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C1 ZINC001350441694 1055776150 /nfs/dbraw/zinc/77/61/50/1055776150.db2.gz UIFQGJLYBURZJF-HNNXBMFYSA-N 1 0 360.458 2.975 20 5 FFBDRO C[C@H](CNC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1)c1ccccc1[N+](=O)[O-] ZINC001338754165 1055786427 /nfs/dbraw/zinc/78/64/27/1055786427.db2.gz HPENVIYDEZLKSJ-ZBFHGGJFSA-N 1 0 360.458 2.729 20 5 FFBDRO Cn1c([C@H]2CCC[N@H+](C)C2)nnc1N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001351229309 1056145105 /nfs/dbraw/zinc/14/51/05/1056145105.db2.gz YHPTWPGYBBGTFI-HNNXBMFYSA-N 1 0 370.457 2.702 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ccc(CNC[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)o2)cc1 ZINC001200267439 1056189107 /nfs/dbraw/zinc/18/91/07/1056189107.db2.gz FYBIJGJDIHRLNH-SJLPKXTDSA-N 1 0 357.410 2.808 20 5 FFBDRO Cc1ccc([C@H](C)NC(=O)[C@@H]2CC[NH2+][C@@H]([C@@H]3CCCO3)C2)cc1[N+](=O)[O-] ZINC001353418932 1056384364 /nfs/dbraw/zinc/38/43/64/1056384364.db2.gz HMILFAYHKGYFST-ZDRJDWQYSA-N 1 0 361.442 2.628 20 5 FFBDRO Cn1c([C@@H]2CCCN2C)nnc1N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001339484630 1056498442 /nfs/dbraw/zinc/49/84/42/1056498442.db2.gz CKFNVMDFBCPQMI-INIZCTEOSA-N 1 0 356.430 2.659 20 5 FFBDRO CC(C)[N@@H+]1CCCN(c2nnc([C@H](C)[N+](=O)[O-])n2Cc2ccccc2)CC1 ZINC001354296894 1058823715 /nfs/dbraw/zinc/82/37/15/1058823715.db2.gz JCKQYPQKBFOZNI-INIZCTEOSA-N 1 0 372.473 2.585 20 5 FFBDRO COc1ccc2ncc([N+](=O)[O-])c(NC[C@H](c3ccco3)[NH+](C)C)c2c1 ZINC001472636682 1058933524 /nfs/dbraw/zinc/93/35/24/1058933524.db2.gz PGKPJPSBWDWUOX-OAHLLOKOSA-N 1 0 356.382 2.881 20 5 FFBDRO C[NH+](C)Cc1ccc(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)c(F)c1 ZINC001451387237 1059108734 /nfs/dbraw/zinc/10/87/34/1059108734.db2.gz SVTAXOLHCCVTIZ-UHFFFAOYSA-N 1 0 361.329 2.777 20 5 FFBDRO CCO[C@@H]1COCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Br ZINC001354635480 1059292862 /nfs/dbraw/zinc/29/28/62/1059292862.db2.gz PMIWTXSCOXXROR-ZIAGYGMSSA-N 1 0 359.220 2.641 20 5 FFBDRO CCO[C@H]1COCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Br ZINC001354635478 1059293825 /nfs/dbraw/zinc/29/38/25/1059293825.db2.gz PMIWTXSCOXXROR-KGLIPLIRSA-N 1 0 359.220 2.641 20 5 FFBDRO CC[NH+](CC)[C@@H](C)Cn1c(C)nnc1N(C)CCc1cccc([N+](=O)[O-])c1 ZINC001515505107 1059682022 /nfs/dbraw/zinc/68/20/22/1059682022.db2.gz ZEJNDWORSQPILM-HNNXBMFYSA-N 1 0 374.489 2.904 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)Nc2ccc(OCCC[NH+](C)C)cc2)n1 ZINC001456170632 1060035247 /nfs/dbraw/zinc/03/52/47/1060035247.db2.gz PYUVLVVEASMHFY-UHFFFAOYSA-N 1 0 358.398 2.881 20 5 FFBDRO COC(=O)[C@H]1CC12CC[NH+](Cn1cc(-c3ccccc3[N+](=O)[O-])cn1)CC2 ZINC000848478125 1060100776 /nfs/dbraw/zinc/10/07/76/1060100776.db2.gz BTGVTKBPNKQGKH-MRXNPFEDSA-N 1 0 370.409 2.691 20 5 FFBDRO [NH3+][C@@H]1c2ccccc2C[C@H]1NC(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC001355364405 1060172922 /nfs/dbraw/zinc/17/29/22/1060172922.db2.gz PPSXLPITEODHPM-SJLPKXTDSA-N 1 0 359.813 2.922 20 5 FFBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)C(F)(F)Oc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000848584808 1060315506 /nfs/dbraw/zinc/31/55/06/1060315506.db2.gz ISXIXAZOMNXWMO-SWLSCSKDSA-N 1 0 369.368 2.509 20 5 FFBDRO Cc1c(CO)cc([N+](=O)[O-])c(N[C@H]2CCC[N@@H+]3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000848783914 1060689681 /nfs/dbraw/zinc/68/96/81/1060689681.db2.gz GKAJAKWLSTVLHX-UONOGXRCSA-N 1 0 364.402 2.733 20 5 FFBDRO CO[C@@H](Cc1ccccc1)C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001459312504 1060745933 /nfs/dbraw/zinc/74/59/33/1060745933.db2.gz LCWDAQSCIKDNQN-FQEVSTJZSA-N 1 0 355.438 2.975 20 5 FFBDRO CCc1ccc(S(=O)(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)cc1[N+](=O)[O-] ZINC001475269109 1061028284 /nfs/dbraw/zinc/02/82/84/1061028284.db2.gz GAMDHOQAZOKRJH-MRXNPFEDSA-N 1 0 369.487 2.556 20 5 FFBDRO Cc1ccc(S(=O)(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)c(C)c1[N+](=O)[O-] ZINC001475269532 1061028422 /nfs/dbraw/zinc/02/84/22/1061028422.db2.gz KHFXWKQTNDYOED-OAHLLOKOSA-N 1 0 369.487 2.610 20 5 FFBDRO COC(=O)CC[C@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001460722983 1061077285 /nfs/dbraw/zinc/07/72/85/1061077285.db2.gz ZOLWKYXMSWTSAJ-CQSZACIVSA-N 1 0 363.414 2.589 20 5 FFBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H]1c2ccccc2CC[C@@H]1[NH+]1CCCC1 ZINC001526388660 1061108706 /nfs/dbraw/zinc/10/87/06/1061108706.db2.gz XTEHGMCSRBHJGL-HKUYNNGSSA-N 1 0 368.437 2.815 20 5 FFBDRO CCC[N@H+](C)CC(C)(C)NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC001475524782 1061125085 /nfs/dbraw/zinc/12/50/85/1061125085.db2.gz RRFVCAOLPYMGTF-UHFFFAOYSA-N 1 0 357.476 2.610 20 5 FFBDRO Cc1cc(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)ccc1-n1cncn1 ZINC001461161654 1061230067 /nfs/dbraw/zinc/23/00/67/1061230067.db2.gz VZVPMWUUZBGFRZ-UHFFFAOYSA-N 1 0 353.382 2.653 20 5 FFBDRO CC1(C)CCC[C@H]([NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001461161352 1061231191 /nfs/dbraw/zinc/23/11/91/1061231191.db2.gz UTOUTEFMGOMBKS-AWEZNQCLSA-N 1 0 369.487 2.822 20 5 FFBDRO COc1cc(C[NH2+]C[C@@H](C)Oc2ccccc2OC)c([N+](=O)[O-])cc1O ZINC001461253296 1061268290 /nfs/dbraw/zinc/26/82/90/1061268290.db2.gz DQDFYCIGHCKAJV-GFCCVEGCSA-N 1 0 362.382 2.875 20 5 FFBDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2c(C)cncc2[N+](=O)[O-])C1 ZINC001476375830 1061402258 /nfs/dbraw/zinc/40/22/58/1061402258.db2.gz MKJMCXBUJJEHJC-CQSZACIVSA-N 1 0 363.462 2.742 20 5 FFBDRO CCOc1cc(NC(=O)N[C@@H]2CCCC[C@@H]2[NH+](C)C)ccc1[N+](=O)[O-] ZINC001476815300 1061485808 /nfs/dbraw/zinc/48/58/08/1061485808.db2.gz GHNGLNNTGKOLPL-KGLIPLIRSA-N 1 0 350.419 2.988 20 5 FFBDRO CC[C@@H](C)[C@H](C)NC(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001477130416 1061594795 /nfs/dbraw/zinc/59/47/95/1061594795.db2.gz NRBJXSSTOMXGGE-KGLIPLIRSA-N 1 0 363.462 2.903 20 5 FFBDRO CC(C)(CNC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)[NH+]1CCCCC1 ZINC001463554447 1062157983 /nfs/dbraw/zinc/15/79/83/1062157983.db2.gz XYYBSSIOSDVWJC-UHFFFAOYSA-N 1 0 371.441 2.979 20 5 FFBDRO O=C(N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc([N+](=O)[O-])s1 ZINC001523536537 1062508988 /nfs/dbraw/zinc/50/89/88/1062508988.db2.gz BYZGQLKZBXRCEO-SJKOYZFVSA-N 1 0 359.407 2.642 20 5 FFBDRO Nc1c(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)cc2ccccc2c1[N+](=O)[O-] ZINC001464364825 1062571206 /nfs/dbraw/zinc/57/12/06/1062571206.db2.gz QFAWYOTVBWDKMP-GFCCVEGCSA-N 1 0 354.410 2.544 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC[C@@H]1CCC[NH2+]CC1 ZINC001524222107 1062764561 /nfs/dbraw/zinc/76/45/61/1062764561.db2.gz IIAXAZDKMRXGKK-CHWSQXEVSA-N 1 0 369.849 2.912 20 5 FFBDRO C[C@H]1CCC[N@@H+]1CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)C1CC1 ZINC001493841276 1063234099 /nfs/dbraw/zinc/23/40/99/1063234099.db2.gz FPXFGMDWVCQWBA-AWEZNQCLSA-N 1 0 370.457 2.936 20 5 FFBDRO CCN(CCC[NH+]1CCCC1)C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC001466962674 1063606524 /nfs/dbraw/zinc/60/65/24/1063606524.db2.gz RUMPAQDPFNMSIX-UHFFFAOYSA-N 1 0 354.838 2.778 20 5 FFBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCCCC[C@@H]([NH3+])C1 ZINC001575071060 1078102501 /nfs/dbraw/zinc/10/25/01/1078102501.db2.gz GRIIUFCDZWVDIF-NWDGAFQWSA-N 1 0 354.838 2.779 20 5 FFBDRO Cc1cc(NC(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)cc([N+](=O)[O-])c1 ZINC001472373987 1065035903 /nfs/dbraw/zinc/03/59/03/1065035903.db2.gz BOINHBJIRVVWKM-UHFFFAOYSA-N 1 0 368.437 2.903 20 5 FFBDRO CC[N@H+](C)[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)C1 ZINC001472634524 1065118334 /nfs/dbraw/zinc/11/83/34/1065118334.db2.gz WWGIMBPKUBNWGV-QGZVFWFLSA-N 1 0 374.485 2.997 20 5 FFBDRO COCCN(CC1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC001472850858 1065157683 /nfs/dbraw/zinc/15/76/83/1065157683.db2.gz TWPCNZJQZNCPHU-UHFFFAOYSA-N 1 0 373.400 2.991 20 5 FFBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)c1cccc([N+](=O)[O-])c1Br ZINC001576118114 1078197428 /nfs/dbraw/zinc/19/74/28/1078197428.db2.gz XNKGIHIKDJMJEV-KOLCDFICSA-N 1 0 356.220 2.699 20 5 FFBDRO CC[N@H+](C)[C@H]1CCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC001473906611 1065416977 /nfs/dbraw/zinc/41/69/77/1065416977.db2.gz LAYXJLUCAFIPEO-YPMHNXCESA-N 1 0 354.838 2.601 20 5 FFBDRO O=[N+]([O-])c1cccc(Br)c1C[NH2+][C@@H]1CCn2ccnc2C1 ZINC001474120416 1065458292 /nfs/dbraw/zinc/45/82/92/1065458292.db2.gz ZQNFMYMIMBMMEZ-SNVBAGLBSA-N 1 0 351.204 2.658 20 5 FFBDRO C[C@@]1(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)C[NH2+]CCO1 ZINC001576356112 1078218887 /nfs/dbraw/zinc/21/88/87/1078218887.db2.gz HXESQEUEVFASOC-SFHVURJKSA-N 1 0 357.366 2.704 20 5 FFBDRO C[C@]1(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)C[NH2+]CCO1 ZINC001576356111 1078219104 /nfs/dbraw/zinc/21/91/04/1078219104.db2.gz HXESQEUEVFASOC-GOSISDBHSA-N 1 0 357.366 2.704 20 5 FFBDRO CN(CCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1cn[nH]n1 ZINC001576809960 1078277110 /nfs/dbraw/zinc/27/71/10/1078277110.db2.gz UYFZNZNUMSRINC-UHFFFAOYSA-N 1 0 370.413 2.585 20 5 FFBDRO CN(Cc1ccccc1[N+](=O)[O-])c1nnc(C(C)(C)C)n1C[C@H]1CCC[NH2+]1 ZINC001578497157 1078483528 /nfs/dbraw/zinc/48/35/28/1078483528.db2.gz KSQPYTMNEBJDRN-OAHLLOKOSA-N 1 0 372.473 2.872 20 5 FFBDRO COc1c(C(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)cccc1[N+](=O)[O-] ZINC001579135173 1078573101 /nfs/dbraw/zinc/57/31/01/1078573101.db2.gz SWWSQHGZBVGLBK-INIZCTEOSA-N 1 0 357.366 2.517 20 5 FFBDRO C[C@H]1[NH2+]CC[C@@H]1NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC001579505338 1078637612 /nfs/dbraw/zinc/63/76/12/1078637612.db2.gz WKPSKTYXYLMOFY-CJNGLKHVSA-N 1 0 354.410 2.687 20 5 FFBDRO C[C@H](NC(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12)c1ccccc1[N+](=O)[O-] ZINC001579482766 1078634614 /nfs/dbraw/zinc/63/46/14/1078634614.db2.gz UFLYUAUDFCFDFC-LRDDRELGSA-N 1 0 352.394 2.823 20 5 FFBDRO Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001579827817 1078692074 /nfs/dbraw/zinc/69/20/74/1078692074.db2.gz SMIYKYWZMHCXTI-KGLIPLIRSA-N 1 0 357.414 2.515 20 5 FFBDRO CSc1ccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1-c1nn[nH]n1 ZINC001580233261 1078770722 /nfs/dbraw/zinc/77/07/22/1078770722.db2.gz KNVGSQDBXXRIJQ-UHFFFAOYSA-N 1 0 370.438 2.829 20 5 FFBDRO [NH3+]C[C@]12CN(c3ncc(Br)cc3[N+](=O)[O-])C[C@@H]1CCCC2 ZINC001580256296 1078776423 /nfs/dbraw/zinc/77/64/23/1078776423.db2.gz SWGFZDKSVBFMAD-IINYFYTJSA-N 1 0 355.236 2.708 20 5 FFBDRO [NH3+]CC[C@H](NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])C(F)(F)F ZINC001580284414 1078781226 /nfs/dbraw/zinc/78/12/26/1078781226.db2.gz BJFPANBSLQZWNO-VIFPVBQESA-N 1 0 359.226 2.623 20 5 FFBDRO [NH3+]CCCn1c(C2CCC2)nnc1N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001580303177 1078783661 /nfs/dbraw/zinc/78/36/61/1078783661.db2.gz VPBXZDYSCOIYSQ-UHFFFAOYSA-N 1 0 370.457 2.972 20 5 FFBDRO Nc1c(C(=O)N2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc2ccccc2c1[N+](=O)[O-] ZINC001580431552 1078802069 /nfs/dbraw/zinc/80/20/69/1078802069.db2.gz LIWAFBLGBNYBNQ-CJNGLKHVSA-N 1 0 354.410 2.544 20 5 FFBDRO O=C(N[C@@]12CCC[C@H]1[NH2+]CC2)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001580599048 1078832270 /nfs/dbraw/zinc/83/22/70/1078832270.db2.gz OGDYOWYWDYHJFD-DNVCBOLYSA-N 1 0 352.394 2.671 20 5 FFBDRO O=C(NC[C@H]1[NH2+]CCc2ccccc21)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC001580672576 1078845772 /nfs/dbraw/zinc/84/57/72/1078845772.db2.gz GZQSIVISUIPYDG-MRXNPFEDSA-N 1 0 350.378 2.693 20 5 FFBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])C1(C2CC[NH2+]CC2)CC1 ZINC001580696813 1078847935 /nfs/dbraw/zinc/84/79/35/1078847935.db2.gz IJGDYCNQOBLFDI-UHFFFAOYSA-N 1 0 351.834 2.687 20 5 FFBDRO CCOc1cc(NC(=O)N2C[C@H](SC)[C@@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC001563011514 1075096153 /nfs/dbraw/zinc/09/61/53/1075096153.db2.gz FRIVKVUUNWZTAX-ZFWWWQNUSA-N 1 0 368.459 2.503 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1C[C@H]([NH+](C)C)C1(C)C ZINC001557155544 1075816209 /nfs/dbraw/zinc/81/62/09/1075816209.db2.gz NZRLEZJIHLSDHJ-VQISRLSMSA-N 1 0 369.849 2.860 20 5 FFBDRO Nc1c(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc2ccccc2c1[N+](=O)[O-] ZINC001585629529 1079482312 /nfs/dbraw/zinc/48/23/12/1079482312.db2.gz XCSLMYUZUBDOIK-KGLIPLIRSA-N 1 0 354.410 2.687 20 5 FFBDRO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001557866565 1075903094 /nfs/dbraw/zinc/90/30/94/1075903094.db2.gz WESBZSILJXZUML-OAHLLOKOSA-N 1 0 364.405 2.733 20 5 FFBDRO Cc1c(Br)c(N2C[C@@]3(C)C[NH+](C)C[C@]3(C)C2)ncc1[N+](=O)[O-] ZINC001559250542 1076139580 /nfs/dbraw/zinc/13/95/80/1076139580.db2.gz ZVEXHPSDNHFDGA-HUUCEWRRSA-N 1 0 369.263 2.839 20 5 FFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC001559255627 1076140357 /nfs/dbraw/zinc/14/03/57/1076140357.db2.gz YBYQXLDZMSUXFL-ZBFHGGJFSA-N 1 0 368.437 2.874 20 5 FFBDRO CC[N@H+](CCOc1cccc([N+](=O)[O-])c1)[C@H]1CCN(CC(F)(F)F)C1 ZINC001560034135 1076214849 /nfs/dbraw/zinc/21/48/49/1076214849.db2.gz MZTXCADGFVXBGX-AWEZNQCLSA-N 1 0 361.364 2.932 20 5 FFBDRO C[N@@H+]1CC[C@H]2CN(Cc3ccc([N+](=O)[O-])cc3Br)CC[C@@H]21 ZINC001560077495 1076222601 /nfs/dbraw/zinc/22/26/01/1076222601.db2.gz ODUGDNFBXCDJTP-WFASDCNBSA-N 1 0 354.248 2.883 20 5 FFBDRO CN(CCn1ccc([N+](=O)[O-])n1)C[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001560112751 1076228671 /nfs/dbraw/zinc/22/86/71/1076228671.db2.gz MOUBJGVCXDEQMX-SFHVURJKSA-N 1 0 357.458 2.778 20 5 FFBDRO Cn1cncc1C1CC[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC001560233583 1076253124 /nfs/dbraw/zinc/25/31/24/1076253124.db2.gz GKSCRJUIXLXXPD-UHFFFAOYSA-N 1 0 357.414 2.537 20 5 FFBDRO Cc1oc(C(C)(C)C)cc1C[NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001560580247 1076281588 /nfs/dbraw/zinc/28/15/88/1076281588.db2.gz OSHVXNQOSNNIIN-SJLPKXTDSA-N 1 0 362.426 2.978 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NCC2([NH+](C)C)CCCCC2)c1 ZINC001561079927 1076330020 /nfs/dbraw/zinc/33/00/20/1076330020.db2.gz QHGCJQKJUDTXGQ-UHFFFAOYSA-N 1 0 369.487 2.754 20 5 FFBDRO CCOc1cc(NC(=O)NC[C@@H]2CC[N@@H+]2CC)c([N+](=O)[O-])cc1OCC ZINC001562067175 1076474050 /nfs/dbraw/zinc/47/40/50/1076474050.db2.gz FDDMGGJTWQVFAM-LBPRGKRZSA-N 1 0 366.418 2.608 20 5 FFBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)N[C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC001562587474 1076505682 /nfs/dbraw/zinc/50/56/82/1076505682.db2.gz GDGPNEHVTAUEHQ-CXAGYDPISA-N 1 0 357.414 2.533 20 5 FFBDRO C[NH+](C)CCc1cccc(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1 ZINC001568236538 1077079781 /nfs/dbraw/zinc/07/97/81/1077079781.db2.gz RXYGPQMQFDKWPK-UHFFFAOYSA-N 1 0 367.409 2.505 20 5 FFBDRO Cc1cc(OCC(=O)N2CC[N@@H+](C)C3(CCCCC3)C2)ccc1[N+](=O)[O-] ZINC001569328252 1077139652 /nfs/dbraw/zinc/13/96/52/1077139652.db2.gz JIBXABUGOCGGQJ-UHFFFAOYSA-N 1 0 361.442 2.759 20 5 FFBDRO Nc1c(C(=O)N[C@H]2C[C@@H]([NH+]3CCCC3)C2)cc2ccccc2c1[N+](=O)[O-] ZINC001570619828 1077218810 /nfs/dbraw/zinc/21/88/10/1077218810.db2.gz UPJJZOVFBHFXGE-OKILXGFUSA-N 1 0 354.410 2.687 20 5 FFBDRO C[NH+](C)[C@@H]1C[C@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C12CCC2 ZINC001585891967 1079509869 /nfs/dbraw/zinc/50/98/69/1079509869.db2.gz RRHCARBYKSJLJA-DLBZAZTESA-N 1 0 358.442 2.772 20 5 FFBDRO C[C@H](C(=O)N1CC[NH2+][C@H](Cc2ccc(F)cc2)C1)c1cccc([N+](=O)[O-])c1 ZINC001586133374 1079557114 /nfs/dbraw/zinc/55/71/14/1079557114.db2.gz XKDQYFCAFIEMOO-KBXCAEBGSA-N 1 0 371.412 2.881 20 5 FFBDRO C[C@@H](Cc1ccc(O)cc1)[N@H+](C)Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001589899445 1080847413 /nfs/dbraw/zinc/84/74/13/1080847413.db2.gz IYOBSNBQIOBGMG-LBPRGKRZSA-N 1 0 368.397 2.544 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)Cc2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000093639087 250039841 /nfs/dbraw/zinc/03/98/41/250039841.db2.gz YBZOQNDGQFZZMT-HIFRSBDPSA-N 1 0 351.447 2.774 20 5 FFBDRO C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Cl)cc1Cl ZINC000097454443 250064906 /nfs/dbraw/zinc/06/49/06/250064906.db2.gz ZZLXRRCHYIRZMB-JOYOIKCWSA-N 1 0 359.213 2.810 20 5 FFBDRO C[NH+](C)C1(CNC(=O)c2cccc([N+](=O)[O-])c2Br)CCC1 ZINC000097929925 250068704 /nfs/dbraw/zinc/06/87/04/250068704.db2.gz GPGANMSRXGNQNB-UHFFFAOYSA-N 1 0 356.220 2.571 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3CCS(=O)(=O)C3)s2)cc1 ZINC000102420194 250110279 /nfs/dbraw/zinc/11/02/79/250110279.db2.gz QOIGQTDXLJZIPH-GFCCVEGCSA-N 1 0 352.437 2.600 20 5 FFBDRO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000105008166 250194354 /nfs/dbraw/zinc/19/43/54/250194354.db2.gz BTOMPIKAQYXNQR-LBPRGKRZSA-N 1 0 370.356 2.898 20 5 FFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000013779910 211059967 /nfs/dbraw/zinc/05/99/67/211059967.db2.gz FASBWGGVZQWAOC-UHFFFAOYSA-N 1 0 353.422 2.918 20 5 FFBDRO C[C@H]1SCC[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)[C@H]1C ZINC000118419497 250385104 /nfs/dbraw/zinc/38/51/04/250385104.db2.gz BQEWRORZHSFFTD-NWDGAFQWSA-N 1 0 351.428 2.719 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2noc(CN3CC[C@H]([NH+]4CCCCC4)C3)n2)c1 ZINC000264627266 251328050 /nfs/dbraw/zinc/32/80/50/251328050.db2.gz SUHKSVKEXPQVIN-INIZCTEOSA-N 1 0 357.414 2.705 20 5 FFBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)[C@@H]2C1 ZINC000272383854 252025283 /nfs/dbraw/zinc/02/52/83/252025283.db2.gz CCDKXXOIKPULTE-BLLLJJGKSA-N 1 0 372.450 2.885 20 5 FFBDRO O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000272402680 252029142 /nfs/dbraw/zinc/02/91/42/252029142.db2.gz YDBFQPPKEDUIHQ-CYBMUJFWSA-N 1 0 369.368 2.897 20 5 FFBDRO O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000272402683 252029870 /nfs/dbraw/zinc/02/98/70/252029870.db2.gz YDBFQPPKEDUIHQ-ZDUSSCGKSA-N 1 0 369.368 2.897 20 5 FFBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000272569938 252071308 /nfs/dbraw/zinc/07/13/08/252071308.db2.gz TULDXKIZZVSERX-SWLSCSKDSA-N 1 0 368.865 2.772 20 5 FFBDRO COc1cc(C[NH2+]CCc2ccccn2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272499916 252053045 /nfs/dbraw/zinc/05/30/45/252053045.db2.gz VMPJNABHIJTEOG-UHFFFAOYSA-N 1 0 367.352 2.975 20 5 FFBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1 ZINC000272599293 252077375 /nfs/dbraw/zinc/07/73/75/252077375.db2.gz UYINQUMXGHONBC-CYBMUJFWSA-N 1 0 355.385 2.923 20 5 FFBDRO COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)c2ccc([N+](=O)[O-])o2)cc1 ZINC000272605282 252079070 /nfs/dbraw/zinc/07/90/70/252079070.db2.gz HRSYZEKSWSWIKX-HNNXBMFYSA-N 1 0 359.382 2.763 20 5 FFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CO)C[C@H](O)c2ccccc2)c(Cl)c1 ZINC000273035916 252197346 /nfs/dbraw/zinc/19/73/46/252197346.db2.gz HJSBEQZXTPHNFF-PBHICJAKSA-N 1 0 350.802 2.822 20 5 FFBDRO COc1cccc(C2([NH2+]C[C@@H](O)COc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000273158051 252234234 /nfs/dbraw/zinc/23/42/34/252234234.db2.gz MZOJBJCDTWOYPX-OAHLLOKOSA-N 1 0 358.394 2.622 20 5 FFBDRO COc1cc(C[N@@H+]2CCC[C@H](C3(C)OCCO3)C2)c([N+](=O)[O-])cc1OC ZINC000273196319 252248448 /nfs/dbraw/zinc/24/84/48/252248448.db2.gz QOCWTWWUSQSPHO-AWEZNQCLSA-N 1 0 366.414 2.587 20 5 FFBDRO COCC[C@@H]([NH2+]CCOc1ccc(OC)cc1[N+](=O)[O-])c1ccco1 ZINC000273313424 252279941 /nfs/dbraw/zinc/27/99/41/252279941.db2.gz UYMDMBYRMNRSGP-CQSZACIVSA-N 1 0 350.371 2.943 20 5 FFBDRO C[C@H](CCc1ccco1)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000273486596 252314857 /nfs/dbraw/zinc/31/48/57/252314857.db2.gz VTLMEEMGKSVFML-CYBMUJFWSA-N 1 0 352.412 2.572 20 5 FFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1F)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000273502834 252318910 /nfs/dbraw/zinc/31/89/10/252318910.db2.gz VRVBDOFXFYKCKU-UHFFFAOYSA-N 1 0 373.388 2.915 20 5 FFBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000285731619 257001748 /nfs/dbraw/zinc/00/17/48/257001748.db2.gz XOSMOBABGLRCCN-TZMCWYRMSA-N 1 0 366.849 2.745 20 5 FFBDRO CC(C)C[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CC1 ZINC000276042813 256067613 /nfs/dbraw/zinc/06/76/13/256067613.db2.gz GUPPKTFMCZAINB-UHFFFAOYSA-N 1 0 355.460 2.531 20 5 FFBDRO CC1(C)[C@H](C(F)(F)F)CC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000276321327 256089824 /nfs/dbraw/zinc/08/98/24/256089824.db2.gz YWDCUSAQWDWDJM-SMDDNHRTSA-N 1 0 362.348 2.997 20 5 FFBDRO CCOc1cc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)ccc1[N+](=O)[O-] ZINC000276900774 256140972 /nfs/dbraw/zinc/14/09/72/256140972.db2.gz LTOLOEDAHQMWRL-OAHLLOKOSA-N 1 0 371.441 2.911 20 5 FFBDRO COC(=O)c1cnc(N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c([N+](=O)[O-])c1 ZINC000276690045 256122031 /nfs/dbraw/zinc/12/20/31/256122031.db2.gz HBGCPSHNAVSIPV-QWHCGFSZSA-N 1 0 362.430 2.841 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000277354684 256188435 /nfs/dbraw/zinc/18/84/35/256188435.db2.gz GERDHQRSYLLNIH-OAHLLOKOSA-N 1 0 364.446 2.834 20 5 FFBDRO C[C@H]1C[N@H+](CCCNc2ncc([N+](=O)[O-])cc2Br)CCCO1 ZINC000277568703 256212517 /nfs/dbraw/zinc/21/25/17/256212517.db2.gz AZWQIWOYENESRC-NSHDSACASA-N 1 0 373.251 2.665 20 5 FFBDRO CCOC(=O)c1n[nH]c(C2CC[NH+]([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000277918137 256255335 /nfs/dbraw/zinc/25/53/35/256255335.db2.gz XWAUQXAMMZFFKK-GFCCVEGCSA-N 1 0 373.413 2.830 20 5 FFBDRO C[N@H+](CCn1cc(Br)c(=O)c([N+](=O)[O-])c1)Cc1ccccc1 ZINC000278482723 256317652 /nfs/dbraw/zinc/31/76/52/256317652.db2.gz ADKSFXRPQICZRF-UHFFFAOYSA-N 1 0 366.215 2.651 20 5 FFBDRO O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)C1CC[NH+](C2CC2)CC1 ZINC000278994916 256370267 /nfs/dbraw/zinc/37/02/67/256370267.db2.gz ZVIZJOMTNWZELD-UHFFFAOYSA-N 1 0 355.398 2.798 20 5 FFBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])CC[C@H]21 ZINC000279683103 256441190 /nfs/dbraw/zinc/44/11/90/256441190.db2.gz AOOFZRIUNKMCQG-IAQYHMDHSA-N 1 0 369.824 2.873 20 5 FFBDRO CS(=O)(=O)C1(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000279689185 256441618 /nfs/dbraw/zinc/44/16/18/256441618.db2.gz PPNQWSIZMMYFQN-UHFFFAOYSA-N 1 0 350.396 2.522 20 5 FFBDRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000285866222 257008465 /nfs/dbraw/zinc/00/84/65/257008465.db2.gz BGZRFFKQGLPEDX-MRXNPFEDSA-N 1 0 373.409 2.645 20 5 FFBDRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000285993999 257014881 /nfs/dbraw/zinc/01/48/81/257014881.db2.gz IGBOJPQFCPNHIX-GOSISDBHSA-N 1 0 357.410 2.565 20 5 FFBDRO CO[C@@H]1[C@H]2C[C@H]3C[N@H+](Cc4nc(-c5ccc([N+](=O)[O-])cc5)no4)[C@H]1[C@H]3C2 ZINC000286461484 257038056 /nfs/dbraw/zinc/03/80/56/257038056.db2.gz KKRDMXVILFUFDW-UOYADTOYSA-N 1 0 356.382 2.500 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)c1 ZINC000287037610 257068451 /nfs/dbraw/zinc/06/84/51/257068451.db2.gz ISQUOLMQKSSYEW-CVEARBPZSA-N 1 0 361.442 2.757 20 5 FFBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000288200445 257159640 /nfs/dbraw/zinc/15/96/40/257159640.db2.gz CMDUAHYSMXLYEE-RDJZCZTQSA-N 1 0 372.469 2.894 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000289314387 257273786 /nfs/dbraw/zinc/27/37/86/257273786.db2.gz BOBCUFSHKZFGLX-QUCCMNQESA-N 1 0 368.437 2.877 20 5 FFBDRO O=C(CC[N@@H+]1CC[C@@H](n2cc(Cl)cn2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000289790243 257299645 /nfs/dbraw/zinc/29/96/45/257299645.db2.gz HSOFHAYNGPALPY-CYBMUJFWSA-N 1 0 363.805 2.720 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N3CC[C@@H]4C[NH2+]C[C@H]4C3)cc2[N+](=O)[O-])CC1 ZINC000290254781 257322250 /nfs/dbraw/zinc/32/22/50/257322250.db2.gz WVHSQSVTMQSNHG-SJORKVTESA-N 1 0 372.469 2.513 20 5 FFBDRO CCCN(CC[NH+]1CCCC1)C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000290332926 257326719 /nfs/dbraw/zinc/32/67/19/257326719.db2.gz FATYUIYQAARWEC-UHFFFAOYSA-N 1 0 364.402 2.759 20 5 FFBDRO C[C@H]([NH2+]C[C@@](C)(O)CNC(=O)OC(C)(C)C)c1ccccc1[N+](=O)[O-] ZINC000289584943 257288532 /nfs/dbraw/zinc/28/85/32/257288532.db2.gz RQXLLEPPAKNVHI-YVEFUNNKSA-N 1 0 353.419 2.521 20 5 FFBDRO COc1cc(C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)c([N+](=O)[O-])cc1F ZINC000294992129 257611500 /nfs/dbraw/zinc/61/15/00/257611500.db2.gz OQAWDBMHSCXAKE-GFCCVEGCSA-N 1 0 353.394 2.689 20 5 FFBDRO Cc1nn(C)c(C)c1CN1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000301066477 258022904 /nfs/dbraw/zinc/02/29/04/258022904.db2.gz AZGQXTBREIEVGN-UHFFFAOYSA-N 1 0 363.849 2.921 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCCNc2ccc3ccccc3n2)cc1 ZINC000301071922 258022965 /nfs/dbraw/zinc/02/29/65/258022965.db2.gz FRWRTARTVZJIET-UHFFFAOYSA-N 1 0 372.406 2.533 20 5 FFBDRO C[N@H+](CCCNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2)C1CCCCC1 ZINC000301121378 258026846 /nfs/dbraw/zinc/02/68/46/258026846.db2.gz ZEPVXPIOUPZEHU-UHFFFAOYSA-N 1 0 362.430 2.992 20 5 FFBDRO Nc1nc(NCc2ccccc2C[NH+]2CCCCCC2)ncc1[N+](=O)[O-] ZINC000301232078 258035896 /nfs/dbraw/zinc/03/58/96/258035896.db2.gz JOFNTMZHXPAGIO-UHFFFAOYSA-N 1 0 356.430 2.955 20 5 FFBDRO C[C@H](C[NH+]1CCCCC1)Nc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000301299503 258040839 /nfs/dbraw/zinc/04/08/39/258040839.db2.gz ZENNAVBKDWMYHF-CQSZACIVSA-N 1 0 371.441 2.846 20 5 FFBDRO C[NH+](C)CCN1CCC(Nc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000301367574 258045111 /nfs/dbraw/zinc/04/51/11/258045111.db2.gz STCLRWFBHMTUAJ-UHFFFAOYSA-N 1 0 371.279 2.795 20 5 FFBDRO C[NH+]1CCC(CCNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 ZINC000299621196 258011264 /nfs/dbraw/zinc/01/12/64/258011264.db2.gz OREFRRRHWSBEOG-UHFFFAOYSA-N 1 0 360.458 2.657 20 5 FFBDRO Cc1ccnc(NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)c1[N+](=O)[O-] ZINC000302069137 258085982 /nfs/dbraw/zinc/08/59/82/258085982.db2.gz XKQQDAAASWNQGZ-KRWDZBQOSA-N 1 0 356.426 2.867 20 5 FFBDRO C[N@H+](CCNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)C1CCCCC1 ZINC000302599536 258106689 /nfs/dbraw/zinc/10/66/89/258106689.db2.gz BVLHJSCSZKAOKI-UHFFFAOYSA-N 1 0 355.460 2.675 20 5 FFBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccc([N+](=O)[O-])c1Br ZINC000317301723 258115769 /nfs/dbraw/zinc/11/57/69/258115769.db2.gz MONWWBKHWFMQLP-MNOVXSKESA-N 1 0 368.231 2.714 20 5 FFBDRO CCOc1cc(NCc2ccc(N3CC[NH+](C)CC3)nc2)ccc1[N+](=O)[O-] ZINC000301512765 258053372 /nfs/dbraw/zinc/05/33/72/258053372.db2.gz IYVQDXPWHSSFFD-UHFFFAOYSA-N 1 0 371.441 2.752 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])c(N2CC[NH+](CC(C)C)CC2)cc1Cl ZINC000301641125 258060423 /nfs/dbraw/zinc/06/04/23/258060423.db2.gz BJKUBWLVSCNPTM-UHFFFAOYSA-N 1 0 355.822 2.813 20 5 FFBDRO O=[N+]([O-])c1cc(Br)cnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000301700187 258063577 /nfs/dbraw/zinc/06/35/77/258063577.db2.gz SATLSRUBDCNCKZ-GFCCVEGCSA-N 1 0 355.236 2.817 20 5 FFBDRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000301809131 258068827 /nfs/dbraw/zinc/06/88/27/258068827.db2.gz XLDOOQIXRMEPGV-KBPBESRZSA-N 1 0 368.428 2.868 20 5 FFBDRO CC[C@H]1CCCCN1CCNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000301887640 258072902 /nfs/dbraw/zinc/07/29/02/258072902.db2.gz MUNPFFYWBQJLNB-ZDUSSCGKSA-N 1 0 355.460 2.675 20 5 FFBDRO C[C@@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)[N@@H+]1CCc2sccc2C1 ZINC000301914046 258074852 /nfs/dbraw/zinc/07/48/52/258074852.db2.gz HYBMZSHEUKHPHW-NSHDSACASA-N 1 0 358.427 2.558 20 5 FFBDRO Cc1cc(N2CC[NH+](C[C@@H]3CCOC3)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000301993576 258081204 /nfs/dbraw/zinc/08/12/04/258081204.db2.gz GSARYYBPEBEWPZ-HNNXBMFYSA-N 1 0 356.426 2.610 20 5 FFBDRO CC[NH+](CC)CC1CCN(S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])CC1 ZINC000330873775 258172642 /nfs/dbraw/zinc/17/26/42/258172642.db2.gz IBVYJFNBJMXXQC-UHFFFAOYSA-N 1 0 369.487 2.646 20 5 FFBDRO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000332238934 258220808 /nfs/dbraw/zinc/22/08/08/258220808.db2.gz OOBSNOVTJSRJRT-VHRBIJSZSA-N 1 0 355.232 2.950 20 5 FFBDRO Cc1c(NC(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)cccc1[N+](=O)[O-] ZINC000332546537 258234619 /nfs/dbraw/zinc/23/46/19/258234619.db2.gz NEYOEKKNERZBGY-WMLDXEAASA-N 1 0 362.430 2.653 20 5 FFBDRO CC(C)c1n[nH]c(C(=O)N2CCC[C@H]([NH+]3[C@@H](C)CC[C@@H]3C)C2)c1[N+](=O)[O-] ZINC000331757814 258199403 /nfs/dbraw/zinc/19/94/03/258199403.db2.gz BDRCIYKNQRZUME-IHRRRGAJSA-N 1 0 363.462 2.919 20 5 FFBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)NCCC[NH+](C)C)cc2[N+](=O)[O-])C1 ZINC000097679575 132230600 /nfs/dbraw/zinc/23/06/00/132230600.db2.gz HAGYKTCNKZVTBE-GASCZTMLSA-N 1 0 362.474 2.759 20 5 FFBDRO Cn1cc(N2CC[C@@H]([NH2+][C@H](Cc3ccccc3[N+](=O)[O-])C3CC3)C2)cn1 ZINC000375028511 512128808 /nfs/dbraw/zinc/12/88/08/512128808.db2.gz CXLFKLFVJPHYHX-SJLPKXTDSA-N 1 0 355.442 2.518 20 5 FFBDRO C[NH+](C)[C@@H](CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)c1ccsc1 ZINC000032369004 506246814 /nfs/dbraw/zinc/24/68/14/506246814.db2.gz HQCWHGZQRCAHAW-AWEZNQCLSA-N 1 0 359.411 2.565 20 5 FFBDRO C[NH+](C)[C@@H](CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)c1ccccc1 ZINC000065714760 506348806 /nfs/dbraw/zinc/34/88/06/506348806.db2.gz NULUMIICLOMBCA-IBGZPJMESA-N 1 0 366.421 2.969 20 5 FFBDRO Cn1cc(N2CC[C@H]([NH2+][C@@H]3CCC[C@@H]3Cc3ccccc3[N+](=O)[O-])C2)cn1 ZINC000366755469 512173020 /nfs/dbraw/zinc/17/30/20/512173020.db2.gz AYNHOFGYYAVLQY-HHXXYDBFSA-N 1 0 369.469 2.908 20 5 FFBDRO CNC(=O)c1ccc(NC[C@@H](c2ccco2)[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000053550124 506401567 /nfs/dbraw/zinc/40/15/67/506401567.db2.gz PJSSSKOEZNCAGI-INIZCTEOSA-N 1 0 358.398 2.796 20 5 FFBDRO CC[NH+]1CCN(Cc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC000041577837 506532669 /nfs/dbraw/zinc/53/26/69/506532669.db2.gz UOZMEVPLMKCZRO-UHFFFAOYSA-N 1 0 368.437 2.985 20 5 FFBDRO Cc1cc(C(=O)Nc2ccc(CN3CC[NH+](C)CC3)cc2)ccc1[N+](=O)[O-] ZINC000041576948 506533742 /nfs/dbraw/zinc/53/37/42/506533742.db2.gz LASKQIBKYORWEI-UHFFFAOYSA-N 1 0 368.437 2.903 20 5 FFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000041904684 506566143 /nfs/dbraw/zinc/56/61/43/506566143.db2.gz NDCQZPNIZMLJIE-OAHLLOKOSA-N 1 0 360.439 2.927 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000043126913 506703704 /nfs/dbraw/zinc/70/37/04/506703704.db2.gz LZECXJHVZRHHQF-HNNXBMFYSA-N 1 0 370.409 2.999 20 5 FFBDRO C[C@@H](CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)[NH+]1CCC(C)CC1 ZINC000067270466 506811181 /nfs/dbraw/zinc/81/11/81/506811181.db2.gz GPRXGWYHDOFNHY-HNNXBMFYSA-N 1 0 371.441 2.631 20 5 FFBDRO CN(C(=O)CN1CC[NH+](CCC(C)(C)C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000055934179 506892076 /nfs/dbraw/zinc/89/20/76/506892076.db2.gz MRLWREQJOGLOPB-UHFFFAOYSA-N 1 0 362.474 2.611 20 5 FFBDRO Cc1ccc([C@H](C)[NH2+]Cc2cnc(-c3cnn(C)c3)nc2)cc1[N+](=O)[O-] ZINC000373389003 512306536 /nfs/dbraw/zinc/30/65/36/512306536.db2.gz BWMRDXACUMSPRD-ZDUSSCGKSA-N 1 0 352.398 2.945 20 5 FFBDRO CC[NH+](CC)CCC[C@H](C)Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000067949782 507065044 /nfs/dbraw/zinc/06/50/44/507065044.db2.gz XTQRTELSOXZXQX-ZDUSSCGKSA-N 1 0 357.476 2.921 20 5 FFBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000068085440 507104445 /nfs/dbraw/zinc/10/44/45/507104445.db2.gz OXWAEQIICRSNFG-OKILXGFUSA-N 1 0 373.457 2.959 20 5 FFBDRO C[NH+](C)[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)C1CCCCC1 ZINC000068117655 507118586 /nfs/dbraw/zinc/11/85/86/507118586.db2.gz KDIYIWFMLLFEIP-HNNXBMFYSA-N 1 0 352.410 2.556 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)C1CC[NH+](C)CC1 ZINC000068265749 507166756 /nfs/dbraw/zinc/16/67/56/507166756.db2.gz CNUQXVXZXADFDJ-LLVKDONJSA-N 1 0 355.822 2.568 20 5 FFBDRO C[NH+](C)CCN(Cc1ccccc1)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000068310799 507180893 /nfs/dbraw/zinc/18/08/93/507180893.db2.gz UCFHGGKCTGJMFZ-UHFFFAOYSA-N 1 0 356.426 2.597 20 5 FFBDRO CC(C)[N@H+](C)CCCNC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000068352531 507197931 /nfs/dbraw/zinc/19/79/31/507197931.db2.gz SDHPHTOANKNQFZ-GFCCVEGCSA-N 1 0 357.838 2.862 20 5 FFBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000022498465 507296923 /nfs/dbraw/zinc/29/69/23/507296923.db2.gz CFQXLHWRFZMOAQ-UHFFFAOYSA-N 1 0 369.421 2.708 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000023081647 507327722 /nfs/dbraw/zinc/32/77/22/507327722.db2.gz BJNWLXKFCXDFEH-MRXNPFEDSA-N 1 0 357.410 2.506 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)c1 ZINC000060155559 507515630 /nfs/dbraw/zinc/51/56/30/507515630.db2.gz MBVXXSFMVLSLSY-SFHVURJKSA-N 1 0 357.410 2.945 20 5 FFBDRO CCc1ccc([C@@H](CNC(=O)COc2ccccc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000027596327 507669563 /nfs/dbraw/zinc/66/95/63/507669563.db2.gz ZAVDIECAEHNSCP-GOSISDBHSA-N 1 0 371.437 2.955 20 5 FFBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000367126098 512350239 /nfs/dbraw/zinc/35/02/39/512350239.db2.gz KQRVQTZJGQVBEH-AWEZNQCLSA-N 1 0 372.400 2.568 20 5 FFBDRO C[NH+](C)Cc1cccc(CNC(=O)NCCNc2ccccc2[N+](=O)[O-])c1 ZINC000028399065 507723508 /nfs/dbraw/zinc/72/35/08/507723508.db2.gz LJWMGVQYDCUILL-UHFFFAOYSA-N 1 0 371.441 2.568 20 5 FFBDRO CC(C)(C)[N@@H+]1CCCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000063722739 507764676 /nfs/dbraw/zinc/76/46/76/507764676.db2.gz AYYXQEZFISNSHZ-UHFFFAOYSA-N 1 0 371.441 2.727 20 5 FFBDRO O=C(NCCC[NH+]1CCCC1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000051468266 507771386 /nfs/dbraw/zinc/77/13/86/507771386.db2.gz CLCVBBHWICLSBJ-UHFFFAOYSA-N 1 0 360.439 2.934 20 5 FFBDRO COC(=O)c1cc(C(=O)Nc2ccc(C[NH+](C)C)cc2)cc([N+](=O)[O-])c1 ZINC000029953900 507797869 /nfs/dbraw/zinc/79/78/69/507797869.db2.gz RRBZEBPKYMORQE-UHFFFAOYSA-N 1 0 357.366 2.695 20 5 FFBDRO C[NH+](C)[C@@H](CNC(=O)NCCNc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000072487668 507798776 /nfs/dbraw/zinc/79/87/76/507798776.db2.gz NQRWTXXSQIFSBA-SFHVURJKSA-N 1 0 371.441 2.609 20 5 FFBDRO C[C@H]1CCC[N@H+](CCCCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000052247560 507804045 /nfs/dbraw/zinc/80/40/45/507804045.db2.gz SNRPHQMZDZBBLO-AWEZNQCLSA-N 1 0 369.487 2.922 20 5 FFBDRO Cc1nn(C)c(Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)c1[N+](=O)[O-] ZINC000089267023 507825338 /nfs/dbraw/zinc/82/53/38/507825338.db2.gz DZAQSZADFABLSB-UHFFFAOYSA-N 1 0 358.446 2.911 20 5 FFBDRO CSc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccccn2)cc1[N+](=O)[O-] ZINC000107263112 507840921 /nfs/dbraw/zinc/84/09/21/507840921.db2.gz QZCGTDADLGOYES-UHFFFAOYSA-N 1 0 374.466 2.916 20 5 FFBDRO C[NH+](C)Cc1ccc(CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1 ZINC000089477303 507842487 /nfs/dbraw/zinc/84/24/87/507842487.db2.gz IKPPBWOQNKBSCY-UHFFFAOYSA-N 1 0 366.421 2.997 20 5 FFBDRO O=[N+]([O-])c1ccc(OCC[NH2+]C2CCN(Cc3ccccn3)CC2)cc1 ZINC000089580995 507847251 /nfs/dbraw/zinc/84/72/51/507847251.db2.gz YTYUBZFNJQZDEZ-UHFFFAOYSA-N 1 0 356.426 2.623 20 5 FFBDRO COc1ccccc1C[C@@H](C)[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000072772027 507851249 /nfs/dbraw/zinc/85/12/49/507851249.db2.gz MXCKZZLWLULZGD-CYBMUJFWSA-N 1 0 357.410 2.765 20 5 FFBDRO CC(=O)c1ccc(NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000089643912 507853564 /nfs/dbraw/zinc/85/35/64/507853564.db2.gz LIZOKBMDPBKRFD-ZWKOTPCHSA-N 1 0 369.421 2.845 20 5 FFBDRO CC[C@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CCS1 ZINC000072862685 507866132 /nfs/dbraw/zinc/86/61/32/507866132.db2.gz OCABZYKSEHATSX-ZDUSSCGKSA-N 1 0 353.444 2.759 20 5 FFBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000078438226 507871113 /nfs/dbraw/zinc/87/11/13/507871113.db2.gz MPTHXZADSYNXEV-ZDUSSCGKSA-N 1 0 350.419 2.799 20 5 FFBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000072974868 507879289 /nfs/dbraw/zinc/87/92/89/507879289.db2.gz FQRADVQSLVZYJP-HZPDHXFCSA-N 1 0 374.485 2.780 20 5 FFBDRO CCC[N@H+](C)C[C@H]1CCN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C1 ZINC000078562483 507883677 /nfs/dbraw/zinc/88/36/77/507883677.db2.gz MCIZSJMCNNQZHD-CQSZACIVSA-N 1 0 360.458 2.655 20 5 FFBDRO O=[N+]([O-])c1ccc(OCC[N@H+](C[C@H]2CCCO2)[C@@H]2CCSC2)cc1 ZINC000089952229 507890431 /nfs/dbraw/zinc/89/04/31/507890431.db2.gz QGMQIWIDYIPIGW-NVXWUHKLSA-N 1 0 352.456 2.960 20 5 FFBDRO CC[C@H]([NH2+][C@@H](C)C(=O)NC(=O)NC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000090068789 507906104 /nfs/dbraw/zinc/90/61/04/507906104.db2.gz PKHIEPZIUVQCPM-FZMZJTMJSA-N 1 0 350.419 2.648 20 5 FFBDRO C[N@H+](CCCOc1ccc(Cl)cc1)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090518862 507924606 /nfs/dbraw/zinc/92/46/06/507924606.db2.gz UZTJISARSQDAPX-UHFFFAOYSA-N 1 0 365.817 2.811 20 5 FFBDRO CC(C)(C)C[N@H+](CCCO)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000109747488 507984066 /nfs/dbraw/zinc/98/40/66/507984066.db2.gz XJGHQKCJKBAVCK-UHFFFAOYSA-N 1 0 357.838 2.917 20 5 FFBDRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000074325847 508012428 /nfs/dbraw/zinc/01/24/28/508012428.db2.gz KLPQJQGKXFJDJO-CQSZACIVSA-N 1 0 356.426 2.880 20 5 FFBDRO COc1cc(CN2CC[C@@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000110629687 508038428 /nfs/dbraw/zinc/03/84/28/508038428.db2.gz KXRSIZZXCWNBSR-CYBMUJFWSA-N 1 0 371.384 2.875 20 5 FFBDRO Cc1cc(N2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)ncc1[N+](=O)[O-] ZINC000074748095 508052276 /nfs/dbraw/zinc/05/22/76/508052276.db2.gz LCQUNIMLMKJXOW-UHFFFAOYSA-N 1 0 369.469 2.552 20 5 FFBDRO Cc1cc(N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000080640982 508091132 /nfs/dbraw/zinc/09/11/32/508091132.db2.gz GUILHMVEYBYWKX-AWEZNQCLSA-N 1 0 352.866 2.773 20 5 FFBDRO CN1CC[C@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(F)cc1 ZINC000377652612 512378245 /nfs/dbraw/zinc/37/82/45/512378245.db2.gz OCLPWYXDJWVRDI-IPMKNSEASA-N 1 0 359.401 2.802 20 5 FFBDRO COc1ccc(CSCC(=O)NCC(C)(C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000075540271 508115397 /nfs/dbraw/zinc/11/53/97/508115397.db2.gz GUZYJHZBJNLACD-UHFFFAOYSA-N 1 0 369.487 2.541 20 5 FFBDRO Cc1ccc(S(=O)(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)cc1[N+](=O)[O-] ZINC000075639690 508125333 /nfs/dbraw/zinc/12/53/33/508125333.db2.gz NQHXDMYZWDRHQU-UHFFFAOYSA-N 1 0 369.487 2.644 20 5 FFBDRO Cc1ccc([C@@H]2[C@H](C)CCC[N@@H+]2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000075752833 508132790 /nfs/dbraw/zinc/13/27/90/508132790.db2.gz BQNUUJUJPRPIIS-MNEFBYGVSA-N 1 0 358.442 2.934 20 5 FFBDRO COC(=O)C(C)(C)[C@@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000093280807 508134496 /nfs/dbraw/zinc/13/44/96/508134496.db2.gz NHCORNMBXAXXQY-CQSZACIVSA-N 1 0 350.415 2.885 20 5 FFBDRO Cc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)o1 ZINC000093534285 508148458 /nfs/dbraw/zinc/14/84/58/508148458.db2.gz LDIJPAXMVLXAPM-AWEZNQCLSA-N 1 0 368.397 2.968 20 5 FFBDRO CC[N@H+](CCNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])C(C)C ZINC000112079443 508149694 /nfs/dbraw/zinc/14/96/94/508149694.db2.gz TVJRHICVBPQNNC-UHFFFAOYSA-N 1 0 359.430 2.702 20 5 FFBDRO CCC[N@H+](C)C[C@@H]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000081570372 508191573 /nfs/dbraw/zinc/19/15/73/508191573.db2.gz ACQZRTRJXQKVBG-ZDUSSCGKSA-N 1 0 368.865 2.850 20 5 FFBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@H](c3nnc4ccccn43)C2)cc1 ZINC000076396450 508200227 /nfs/dbraw/zinc/20/02/27/508200227.db2.gz RPEXUYOQGQIRRT-HNNXBMFYSA-N 1 0 367.409 2.896 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000081634875 508200324 /nfs/dbraw/zinc/20/03/24/508200324.db2.gz RCPXTMKWCQEBEZ-MRXNPFEDSA-N 1 0 360.458 2.505 20 5 FFBDRO CC(C)(C)C(=O)NC[C@@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000112699515 508211011 /nfs/dbraw/zinc/21/10/11/508211011.db2.gz VOPWXPWCNBFZJQ-HNNXBMFYSA-N 1 0 363.458 2.848 20 5 FFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000367204491 512383819 /nfs/dbraw/zinc/38/38/19/512383819.db2.gz DABJWLYUILPJAF-HXUWFJFHSA-N 1 0 368.437 2.940 20 5 FFBDRO NC(=O)c1ccc(C[N@@H+]2CCC[C@H]2COc2ccccc2)c([N+](=O)[O-])c1 ZINC000112985127 508238039 /nfs/dbraw/zinc/23/80/39/508238039.db2.gz JGZJGVPIZGKDLR-INIZCTEOSA-N 1 0 355.394 2.737 20 5 FFBDRO Nc1nc(NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)ncc1[N+](=O)[O-] ZINC000076713167 508245213 /nfs/dbraw/zinc/24/52/13/508245213.db2.gz KIPQQGSTFHSQCK-ZDUSSCGKSA-N 1 0 362.821 2.869 20 5 FFBDRO NC(=O)c1ccc(C[N@@H+]2CC[C@@H](Cc3ccc(F)cc3)C2)c([N+](=O)[O-])c1 ZINC000076805928 508255411 /nfs/dbraw/zinc/25/54/11/508255411.db2.gz OXYKSAUPQJJPLV-AWEZNQCLSA-N 1 0 357.385 2.897 20 5 FFBDRO O=C1CCCN1CCC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000113314571 508260691 /nfs/dbraw/zinc/26/06/91/508260691.db2.gz RVKHIKQHEDYXEN-UHFFFAOYSA-N 1 0 360.439 2.820 20 5 FFBDRO C[NH+](C)[C@@H](CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C1CC1 ZINC000076925725 508263382 /nfs/dbraw/zinc/26/33/82/508263382.db2.gz YWURNMDBBPGVFL-FQEVSTJZSA-N 1 0 363.461 2.611 20 5 FFBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000105177202 508364353 /nfs/dbraw/zinc/36/43/53/508364353.db2.gz SNXWZXVQOVQTGB-GOSISDBHSA-N 1 0 360.458 2.797 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000133553967 508415421 /nfs/dbraw/zinc/41/54/21/508415421.db2.gz YIDFXTJAXXYRIZ-IAGOWNOFSA-N 1 0 374.485 2.534 20 5 FFBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000121859620 508434404 /nfs/dbraw/zinc/43/44/04/508434404.db2.gz YRFMJEAGCWRCAT-YGRLFVJLSA-N 1 0 370.247 2.770 20 5 FFBDRO CS[C@@H](CO)[C@H](C)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000152477766 508454347 /nfs/dbraw/zinc/45/43/47/508454347.db2.gz GUMVULVSKVDOGA-HZMBPMFUSA-N 1 0 353.469 2.920 20 5 FFBDRO C[NH+](C)[C@H](CNC(=O)COc1ccc([N+](=O)[O-])c(F)c1)c1cccs1 ZINC000122004092 508466196 /nfs/dbraw/zinc/46/61/96/508466196.db2.gz XZEVYLSABHSHEX-CQSZACIVSA-N 1 0 367.402 2.593 20 5 FFBDRO C[C@@H]1CCCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H]1C[NH3+] ZINC000156807528 508480580 /nfs/dbraw/zinc/48/05/80/508480580.db2.gz IOEFQIYQKDPSKT-ABAIWWIYSA-N 1 0 360.439 2.918 20 5 FFBDRO COc1ccccc1C[C@@H]1CCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000116163517 508480756 /nfs/dbraw/zinc/48/07/56/508480756.db2.gz BALUMBFQKDXASZ-KRWDZBQOSA-N 1 0 369.421 2.909 20 5 FFBDRO Cc1c(CC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cccc1[N+](=O)[O-] ZINC000134078562 508489542 /nfs/dbraw/zinc/48/95/42/508489542.db2.gz XWBPAHZHUKUXKQ-APWZRJJASA-N 1 0 357.454 2.921 20 5 FFBDRO COc1ccc(C[NH2+][C@H](CO)Cc2c[nH]c3ccccc23)cc1[N+](=O)[O-] ZINC000116350112 508501956 /nfs/dbraw/zinc/50/19/56/508501956.db2.gz YVBQAELFABDUAI-HNNXBMFYSA-N 1 0 355.394 2.778 20 5 FFBDRO CC(C)[C@H](C)NC(=O)C1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000116379865 508505781 /nfs/dbraw/zinc/50/57/81/508505781.db2.gz ZRLMZSMHGHOZJC-HNNXBMFYSA-N 1 0 363.458 2.846 20 5 FFBDRO COC(=O)C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C1CCCC1 ZINC000134247571 508513419 /nfs/dbraw/zinc/51/34/19/508513419.db2.gz JBTXILBDFADJPE-UHFFFAOYSA-N 1 0 363.414 2.649 20 5 FFBDRO NC(=O)[C@@H]1CC[N@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000157175010 508532847 /nfs/dbraw/zinc/53/28/47/508532847.db2.gz RHTWXPAMMXBTEK-CYBMUJFWSA-N 1 0 359.357 2.833 20 5 FFBDRO O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3nc(C4CCCC4)no3)C2)nc1 ZINC000157466430 508569646 /nfs/dbraw/zinc/56/96/46/508569646.db2.gz VJVLXFCOPMXJJB-ZDUSSCGKSA-N 1 0 358.402 2.717 20 5 FFBDRO CCCNC(=O)CN1CCC([NH2+][C@@H](CC)c2cccc([N+](=O)[O-])c2)CC1 ZINC000153489578 508588413 /nfs/dbraw/zinc/58/84/13/508588413.db2.gz AWJFZQSPUFYQOI-SFHVURJKSA-N 1 0 362.474 2.626 20 5 FFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000122852911 508597022 /nfs/dbraw/zinc/59/70/22/508597022.db2.gz ARXPRQLCHVBUEH-ZBFHGGJFSA-N 1 0 356.426 2.704 20 5 FFBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000135482009 508611271 /nfs/dbraw/zinc/61/12/71/508611271.db2.gz ZXOZRWPGAOOSSK-CQSZACIVSA-N 1 0 356.426 2.563 20 5 FFBDRO CCOC[C@H]1CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000128645516 508622927 /nfs/dbraw/zinc/62/29/27/508622927.db2.gz WOBIERHCDFMCNP-ZDUSSCGKSA-N 1 0 353.394 2.811 20 5 FFBDRO O=C(Nc1ccccc1C[NH+]1CCC(O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000135624438 508633479 /nfs/dbraw/zinc/63/34/79/508633479.db2.gz GJPPJPOLLVDJHR-UHFFFAOYSA-N 1 0 355.394 2.804 20 5 FFBDRO COc1ccc(OCC[NH2+][C@H]2CCCC[C@@H]2n2cccn2)c([N+](=O)[O-])c1 ZINC000129000539 508668732 /nfs/dbraw/zinc/66/87/32/508668732.db2.gz NXWJGINBTDITQY-HOTGVXAUSA-N 1 0 360.414 2.952 20 5 FFBDRO Nc1c(C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000153931813 508680175 /nfs/dbraw/zinc/68/01/75/508680175.db2.gz OOJKYKXUTZIEFM-UHFFFAOYSA-N 1 0 360.458 2.905 20 5 FFBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2cccc(OCC(N)=O)c2)cc1[N+](=O)[O-] ZINC000154041606 508705089 /nfs/dbraw/zinc/70/50/89/508705089.db2.gz HBUWTIZNWZLSPU-CYBMUJFWSA-N 1 0 373.409 2.708 20 5 FFBDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000119057940 508716431 /nfs/dbraw/zinc/71/64/31/508716431.db2.gz WTCRCVMXJQKHFU-CYBMUJFWSA-N 1 0 359.430 2.754 20 5 FFBDRO C[C@@H]1C[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C[N@@H+]1Cc1ccccc1 ZINC000137431550 508756144 /nfs/dbraw/zinc/75/61/44/508756144.db2.gz YVMAOMFZVKPBQA-DOMZBBRYSA-N 1 0 372.400 2.709 20 5 FFBDRO CN(CCOc1ccc([N+](=O)[O-])cc1)Cc1nc(-c2cccnc2)no1 ZINC000154341766 508764285 /nfs/dbraw/zinc/76/42/85/508764285.db2.gz CVNQIURVCRFIHH-UHFFFAOYSA-N 1 0 355.354 2.551 20 5 FFBDRO CC1CC[NH+]([C@H](CNC(=O)c2[nH]ncc2[N+](=O)[O-])c2ccccc2)CC1 ZINC000137884003 508766576 /nfs/dbraw/zinc/76/65/76/508766576.db2.gz ZLDGQRPLRXWVOJ-OAHLLOKOSA-N 1 0 357.414 2.521 20 5 FFBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000138259291 508771625 /nfs/dbraw/zinc/77/16/25/508771625.db2.gz YXIPDVNOKWTSOC-HUUCEWRRSA-N 1 0 371.441 2.631 20 5 FFBDRO Cc1sc(S(=O)(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000124211226 508798370 /nfs/dbraw/zinc/79/83/70/508798370.db2.gz YPLMBTJRWADLFU-ZDUSSCGKSA-N 1 0 373.500 2.604 20 5 FFBDRO COc1cc(C[N@H+](C)CCCn2ccnc2)c([N+](=O)[O-])cc1OC(F)F ZINC000124304098 508812566 /nfs/dbraw/zinc/81/25/66/508812566.db2.gz RGTQOYCHHIXYJN-UHFFFAOYSA-N 1 0 370.356 2.923 20 5 FFBDRO C[C@@H](CN1CCN(c2ccccc2)CC1)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000119532952 508813945 /nfs/dbraw/zinc/81/39/45/508813945.db2.gz ZOSIHJPEXJGQDK-INIZCTEOSA-N 1 0 368.437 2.535 20 5 FFBDRO O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)c1cc([N+](=O)[O-])c[nH]1 ZINC000143596120 508832397 /nfs/dbraw/zinc/83/23/97/508832397.db2.gz PIWXTWOJTOZEAV-UHFFFAOYSA-N 1 0 360.439 2.767 20 5 FFBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000150785350 508892457 /nfs/dbraw/zinc/89/24/57/508892457.db2.gz PTBKXDVMRXAGLE-INIZCTEOSA-N 1 0 361.442 2.841 20 5 FFBDRO Cc1ccc(S(=O)(=O)NCC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000124857731 508895942 /nfs/dbraw/zinc/89/59/42/508895942.db2.gz DLANWGQWNPZHJP-CQSZACIVSA-N 1 0 363.439 2.532 20 5 FFBDRO C[C@@H](c1cccnc1)N1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000155000802 508900992 /nfs/dbraw/zinc/90/09/92/508900992.db2.gz NCWAIWYYYPUNOY-AWEZNQCLSA-N 1 0 372.400 2.577 20 5 FFBDRO CC(C)[C@@H](C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)N1CCOCC1 ZINC000120035828 508914614 /nfs/dbraw/zinc/91/46/14/508914614.db2.gz MEBMUMBCCWVQBF-UYAOXDASSA-N 1 0 361.486 2.862 20 5 FFBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000125257127 508956415 /nfs/dbraw/zinc/95/64/15/508956415.db2.gz FKVCWPLYQLQRDL-APWZRJJASA-N 1 0 372.469 2.796 20 5 FFBDRO COc1ccc(OCC[N@@H+]2CC[C@H](Oc3ccncc3)C2)c([N+](=O)[O-])c1 ZINC000131802134 508970993 /nfs/dbraw/zinc/97/09/93/508970993.db2.gz ZGDXOVSAERBZHL-INIZCTEOSA-N 1 0 359.382 2.531 20 5 FFBDRO C[NH+](C)CCCC1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000132304914 509012431 /nfs/dbraw/zinc/01/24/31/509012431.db2.gz LXUGUMCAYVEMAQ-UHFFFAOYSA-N 1 0 351.422 2.857 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000132405754 509027021 /nfs/dbraw/zinc/02/70/21/509027021.db2.gz FFRCPAKJSSRDCV-ABAIWWIYSA-N 1 0 365.430 2.866 20 5 FFBDRO C[NH2+][C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccc(OC)cc2)C1 ZINC000160796627 509033875 /nfs/dbraw/zinc/03/38/75/509033875.db2.gz HVDBMQRKIOTPNS-ZDUSSCGKSA-N 1 0 371.393 2.830 20 5 FFBDRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000155599762 509035016 /nfs/dbraw/zinc/03/50/16/509035016.db2.gz IWOGOPDOCXJNGW-ZBFHGGJFSA-N 1 0 360.458 2.654 20 5 FFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000151678931 509065256 /nfs/dbraw/zinc/06/52/56/509065256.db2.gz PLEGALFRQNCNCM-KRWDZBQOSA-N 1 0 362.430 2.704 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000120814573 509069831 /nfs/dbraw/zinc/06/98/31/509069831.db2.gz NALHCWAGTUDDCC-LBPRGKRZSA-N 1 0 368.231 2.668 20 5 FFBDRO CC(C)(C)[N@@H+](Cc1ccc(F)cc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000132775717 509073362 /nfs/dbraw/zinc/07/33/62/509073362.db2.gz DOTWZZBCOXXNMR-MRXNPFEDSA-N 1 0 350.394 2.592 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000120837848 509073686 /nfs/dbraw/zinc/07/36/86/509073686.db2.gz ZMADWKHRMDXPCG-UHFFFAOYSA-N 1 0 364.446 2.522 20 5 FFBDRO C[NH2+]CCCNC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000120982048 509101792 /nfs/dbraw/zinc/10/17/92/509101792.db2.gz VJNNVKWVYXCHHY-CYBMUJFWSA-N 1 0 357.414 2.502 20 5 FFBDRO CC[NH+](CC)[C@H](C)CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000161441307 509115815 /nfs/dbraw/zinc/11/58/15/509115815.db2.gz QGVJDNSHFQNKGB-SNVBAGLBSA-N 1 0 358.236 2.817 20 5 FFBDRO CC(C)N(CC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000151951172 509117142 /nfs/dbraw/zinc/11/71/42/509117142.db2.gz YDAUTWISGIRKEV-UHFFFAOYSA-N 1 0 358.236 2.770 20 5 FFBDRO Cc1csc(Sc2ccc(C(=O)N[C@@H]3CC[NH2+]C3)cc2[N+](=O)[O-])n1 ZINC000126755534 509123530 /nfs/dbraw/zinc/12/35/30/509123530.db2.gz BHDZWBWKQMHLPA-LLVKDONJSA-N 1 0 364.452 2.603 20 5 FFBDRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000133214116 509133041 /nfs/dbraw/zinc/13/30/41/509133041.db2.gz MXJQNUWRXBAYMT-HNNXBMFYSA-N 1 0 358.442 2.753 20 5 FFBDRO CNC(=O)c1ccc(N(CC[NH+](C)C)Cc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000162012397 509169339 /nfs/dbraw/zinc/16/93/39/509169339.db2.gz WSRVUWKCWKKLDM-UHFFFAOYSA-N 1 0 374.416 2.662 20 5 FFBDRO CCC[N@H+](C)C[C@H]1CCN(c2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])C1 ZINC000172788105 509236369 /nfs/dbraw/zinc/23/63/69/509236369.db2.gz BSRGAWGDDGTNRZ-OAHLLOKOSA-N 1 0 362.474 2.901 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)[C@H]1COc2ccccc21 ZINC000185565879 509241115 /nfs/dbraw/zinc/24/11/15/509241115.db2.gz YGRMIJPZBGROIO-CZUORRHYSA-N 1 0 355.394 2.996 20 5 FFBDRO Cc1cc(S(=O)(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000217214728 509267613 /nfs/dbraw/zinc/26/76/13/509267613.db2.gz BPKRHJBPGNVKRD-ZDUSSCGKSA-N 1 0 369.487 2.692 20 5 FFBDRO CN(C(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C)C1 ZINC000176009552 509270651 /nfs/dbraw/zinc/27/06/51/509270651.db2.gz MBTURBLSCHOODY-LLVKDONJSA-N 1 0 356.220 2.524 20 5 FFBDRO C[N@@H+]1CC[C@@H](NC(=O)NCCc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1 ZINC000179132803 509279508 /nfs/dbraw/zinc/27/95/08/509279508.db2.gz RYKUPPNLPHJJEU-MOPGFXCFSA-N 1 0 368.437 2.882 20 5 FFBDRO CC(=O)Nc1cccc([C@H](C)[NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000182542532 509294105 /nfs/dbraw/zinc/29/41/05/509294105.db2.gz GBABQKXDZRMMHR-ZDUSSCGKSA-N 1 0 370.409 2.867 20 5 FFBDRO CCc1n[nH]c(C(=O)N(CC)Cc2ccc(C[NH+](C)C)cc2)c1[N+](=O)[O-] ZINC000179166771 509299534 /nfs/dbraw/zinc/29/95/34/509299534.db2.gz MAYDKLVCUHVPDO-UHFFFAOYSA-N 1 0 359.430 2.604 20 5 FFBDRO CCc1n[nH]c(C(=O)N2CCC[N@H+](Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000185719558 509323363 /nfs/dbraw/zinc/32/33/63/509323363.db2.gz CXMZWUNPSHEECM-CQSZACIVSA-N 1 0 371.441 2.617 20 5 FFBDRO C[C@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185766411 509345644 /nfs/dbraw/zinc/34/56/44/509345644.db2.gz QYARXUCIYQMNAB-JKSUJKDBSA-N 1 0 374.485 2.800 20 5 FFBDRO C[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1N)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182841568 509454876 /nfs/dbraw/zinc/45/48/76/509454876.db2.gz VNFJQGBDRFUPQC-NWDGAFQWSA-N 1 0 364.421 2.699 20 5 FFBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CCC[C@H](C[NH3+])C2)CC1 ZINC000236665622 509474637 /nfs/dbraw/zinc/47/46/37/509474637.db2.gz TWHLIVBGWFWKSM-OAHLLOKOSA-N 1 0 360.458 2.642 20 5 FFBDRO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000186013129 509478893 /nfs/dbraw/zinc/47/88/93/509478893.db2.gz NRTMMNYWPMHBNV-AWEZNQCLSA-N 1 0 354.838 2.874 20 5 FFBDRO C[N@@H+]1CCCC[C@@H]1CN1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000264374017 509488634 /nfs/dbraw/zinc/48/86/34/509488634.db2.gz DCNMCKJSZFXKHP-MRXNPFEDSA-N 1 0 369.469 2.749 20 5 FFBDRO CCC[C@H]([NH2+][C@@H](C(=O)N1CCOCC1)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000164928418 509546244 /nfs/dbraw/zinc/54/62/44/509546244.db2.gz CFIMAJAOHHNODL-ZWKOTPCHSA-N 1 0 363.458 2.909 20 5 FFBDRO C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])s1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183018810 509550117 /nfs/dbraw/zinc/55/01/17/509550117.db2.gz OKONZCAESCBHFO-VXGBXAGGSA-N 1 0 373.500 2.588 20 5 FFBDRO O=C(C[NH2+][C@H](CCCO)c1ccccc1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000179733033 509596391 /nfs/dbraw/zinc/59/63/91/509596391.db2.gz ORYWRMXWBWAUGN-GOSISDBHSA-N 1 0 369.421 2.587 20 5 FFBDRO CN(CC1([NH+](C)C)CCC1)C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000189514087 509613054 /nfs/dbraw/zinc/61/30/54/509613054.db2.gz AEAZGIGZIRDDQC-UHFFFAOYSA-N 1 0 360.458 2.751 20 5 FFBDRO C[N@H+](Cc1ccccc1)[C@@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)C1CC1 ZINC000186415810 509699357 /nfs/dbraw/zinc/69/93/57/509699357.db2.gz ZKRGZZWZHMPFGB-INIZCTEOSA-N 1 0 366.425 2.960 20 5 FFBDRO CN(CC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000173651472 509700903 /nfs/dbraw/zinc/70/09/03/509700903.db2.gz OZOLUMJAGOIVIC-INIZCTEOSA-N 1 0 360.458 2.508 20 5 FFBDRO CC(C)CS(=O)(=O)N1CCC([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000180020829 509714006 /nfs/dbraw/zinc/71/40/06/509714006.db2.gz GYCHKGOLOJPZLQ-AWEZNQCLSA-N 1 0 369.487 2.696 20 5 FFBDRO COc1cc(C[NH2+][C@H](C)CCCO)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000268018408 509719379 /nfs/dbraw/zinc/71/93/79/509719379.db2.gz HCYTUUOQZWYPPZ-SNVBAGLBSA-N 1 0 366.336 2.795 20 5 FFBDRO [NH3+]C1(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CCCCC1 ZINC000237830332 509747009 /nfs/dbraw/zinc/74/70/09/509747009.db2.gz AQDQGYOITRVCPB-UHFFFAOYSA-N 1 0 370.247 2.678 20 5 FFBDRO CC[NH+]1CCC(n2nccc2NC(=O)c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000170765592 509764143 /nfs/dbraw/zinc/76/41/43/509764143.db2.gz RYEDNANXFWOCEL-UHFFFAOYSA-N 1 0 373.413 2.709 20 5 FFBDRO C[C@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000177002284 509810813 /nfs/dbraw/zinc/81/08/13/509810813.db2.gz ZTJSLAIBPNBOED-LLVKDONJSA-N 1 0 370.247 2.819 20 5 FFBDRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000177011094 509817749 /nfs/dbraw/zinc/81/77/49/509817749.db2.gz AMFUSPSGNCNLQE-SNVBAGLBSA-N 1 0 368.231 2.571 20 5 FFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@@H](O)CN1CCc2ccccc2C1 ZINC000238120178 509823943 /nfs/dbraw/zinc/82/39/43/509823943.db2.gz SSWLKEYAWBEIRJ-MVHVFESUSA-N 1 0 367.449 2.617 20 5 FFBDRO CC[NH+](CC)[C@H](CNC(=O)CN(C)c1ccccc1[N+](=O)[O-])c1ccco1 ZINC000173869579 509826165 /nfs/dbraw/zinc/82/61/65/509826165.db2.gz LWSJLDORMZZVNZ-QGZVFWFLSA-N 1 0 374.441 2.823 20 5 FFBDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1cc2ccccc2c2cccnc12 ZINC000170953679 509869964 /nfs/dbraw/zinc/86/99/64/509869964.db2.gz RNFWTRNDNQZTGS-MRXNPFEDSA-N 1 0 362.477 2.754 20 5 FFBDRO COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000183594656 509877511 /nfs/dbraw/zinc/87/75/11/509877511.db2.gz IDSQLJHZIGDGNF-ZDUSSCGKSA-N 1 0 371.393 2.888 20 5 FFBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000253542020 509889276 /nfs/dbraw/zinc/88/92/76/509889276.db2.gz IKLDQANEDPJOKK-OLZOCXBDSA-N 1 0 372.425 2.699 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)[C@@H](C)C1 ZINC000253544381 509891968 /nfs/dbraw/zinc/89/19/68/509891968.db2.gz IXYKFMQSHJIWOB-YVEFUNNKSA-N 1 0 372.425 2.651 20 5 FFBDRO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)Nc1ccncc1[N+](=O)[O-] ZINC000183639300 509899417 /nfs/dbraw/zinc/89/94/17/509899417.db2.gz KKZAPYGVZVJWNS-OAHLLOKOSA-N 1 0 359.386 2.932 20 5 FFBDRO C[C@@H]([NH2+]Cc1cccc(S(=O)(=O)N(C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000180428879 509923220 /nfs/dbraw/zinc/92/32/20/509923220.db2.gz HDJYYLKYXHQVRN-CYBMUJFWSA-N 1 0 363.439 2.696 20 5 FFBDRO CC1CC[NH+](CCNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000180454757 509933290 /nfs/dbraw/zinc/93/32/90/509933290.db2.gz LWCPCPHZXHRKGN-UHFFFAOYSA-N 1 0 357.357 2.658 20 5 FFBDRO CC[NH+](CC)C[C@@H]1CCN(c2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000268478201 509957599 /nfs/dbraw/zinc/95/75/99/509957599.db2.gz KGKOOYFZZDOBQG-NSHDSACASA-N 1 0 357.252 2.920 20 5 FFBDRO CC[N@H+](CCNC(=O)c1cccc([N+](=O)[O-])c1Br)C1CC1 ZINC000180558281 509983711 /nfs/dbraw/zinc/98/37/11/509983711.db2.gz NHBSJQLBBOPSFZ-UHFFFAOYSA-N 1 0 356.220 2.571 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000174184744 509989506 /nfs/dbraw/zinc/98/95/06/509989506.db2.gz QEFSZUAFWIXEKZ-OAHLLOKOSA-N 1 0 364.446 2.619 20 5 FFBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)CC1([NH+](C)C)CCC1 ZINC000187001716 509999612 /nfs/dbraw/zinc/99/96/12/509999612.db2.gz DYGRPOYRIPBTLN-LBPRGKRZSA-N 1 0 368.865 2.991 20 5 FFBDRO CC1([C@H]2CCC[N@H+](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)OCCO1 ZINC000183843026 510001970 /nfs/dbraw/zinc/00/19/70/510001970.db2.gz GSRCKXNDFNHXTN-AWEZNQCLSA-N 1 0 374.397 2.620 20 5 FFBDRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000183851032 510005987 /nfs/dbraw/zinc/00/59/87/510005987.db2.gz ISLOSGLYNKQAQC-MRXNPFEDSA-N 1 0 369.849 2.658 20 5 FFBDRO CC1([C@@H]2CCC[N@H+](Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)C2)OCCO1 ZINC000183868999 510013949 /nfs/dbraw/zinc/01/39/49/510013949.db2.gz CLXATWOGVXYSOQ-CQSZACIVSA-N 1 0 374.397 2.620 20 5 FFBDRO CC[C@H]1CN(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)CC[N@@H+]1C[C@H](C)O ZINC000245577559 510019060 /nfs/dbraw/zinc/01/90/60/510019060.db2.gz GTESIBBZRWAMNC-ZFWWWQNUSA-N 1 0 364.446 2.521 20 5 FFBDRO COc1cc(CN2C[C@H]([NH3+])[C@@H](C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000261679634 510025092 /nfs/dbraw/zinc/02/50/92/510025092.db2.gz AFUZUVWIXOYNLP-KSSFIOAISA-N 1 0 371.437 2.961 20 5 FFBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[NH2+]C[C@H]1c1cccc(Cl)c1 ZINC000261722495 510041192 /nfs/dbraw/zinc/04/11/92/510041192.db2.gz JKUARNPDLNWWMF-KRWDZBQOSA-N 1 0 359.813 2.964 20 5 FFBDRO [NH3+]C1(CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCCCC1 ZINC000261762023 510053837 /nfs/dbraw/zinc/05/38/37/510053837.db2.gz VCAXTUUNFPBOKG-UHFFFAOYSA-N 1 0 356.220 2.749 20 5 FFBDRO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cc(F)ccc1[N+](=O)[O-] ZINC000193772854 510062276 /nfs/dbraw/zinc/06/22/76/510062276.db2.gz PWXGWGOHBONKCU-OAHLLOKOSA-N 1 0 357.385 2.986 20 5 FFBDRO C[C@@H](CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)[N@H+](C)Cc1ccccc1 ZINC000174411969 510102319 /nfs/dbraw/zinc/10/23/19/510102319.db2.gz WYSKSCKYXYMFIC-ZDUSSCGKSA-N 1 0 374.416 2.957 20 5 FFBDRO NC(=O)c1ccc(C[NH+]2CCC(OCC3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000177504576 510102976 /nfs/dbraw/zinc/10/29/76/510102976.db2.gz VYYWLDPZYZNZNL-UHFFFAOYSA-N 1 0 361.442 2.865 20 5 FFBDRO CCc1n[nH]c(C(=O)NC[C@H](c2ccccc2)[NH+](CC)CC)c1[N+](=O)[O-] ZINC000171369869 510112841 /nfs/dbraw/zinc/11/28/41/510112841.db2.gz YIVYJXRQQZUGHN-OAHLLOKOSA-N 1 0 359.430 2.693 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(C)C2CC[NH+](C(C)C)CC2)c1C ZINC000268883269 510118657 /nfs/dbraw/zinc/11/86/57/510118657.db2.gz SFQRZDNMCIJXQZ-UHFFFAOYSA-N 1 0 369.487 2.705 20 5 FFBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000177548759 510128519 /nfs/dbraw/zinc/12/85/19/510128519.db2.gz CCDDABQUFXZYIE-IAGOWNOFSA-N 1 0 374.485 2.800 20 5 FFBDRO CC(=O)c1ccc(NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c([N+](=O)[O-])c1 ZINC000268930706 510143242 /nfs/dbraw/zinc/14/32/42/510143242.db2.gz BZZHHRWJOJQUBZ-MJGOQNOKSA-N 1 0 361.442 2.977 20 5 FFBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1OC ZINC000177599393 510153587 /nfs/dbraw/zinc/15/35/87/510153587.db2.gz FLWMSIRERLNEAM-CHWSQXEVSA-N 1 0 365.430 2.605 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCSC[C@@H](C)C1 ZINC000190479562 510153799 /nfs/dbraw/zinc/15/37/99/510153799.db2.gz GQJUDVJYCQLXFY-LBPRGKRZSA-N 1 0 353.444 2.617 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC(CC[NH+](C)C)CC2)cc1C ZINC000194116129 510222839 /nfs/dbraw/zinc/22/28/39/510222839.db2.gz SMYHIILLLHXTFN-UHFFFAOYSA-N 1 0 369.487 2.564 20 5 FFBDRO O=C(C[C@@H]1COCC[NH2+]1)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000262317108 510241416 /nfs/dbraw/zinc/24/14/16/510241416.db2.gz CJDPRZVJLKDDRY-CQSZACIVSA-N 1 0 357.366 2.704 20 5 FFBDRO O=[N+]([O-])c1ccccc1OCC[N@H+](C[C@@H]1CCCO1)[C@H]1CCSC1 ZINC000245995768 510241869 /nfs/dbraw/zinc/24/18/69/510241869.db2.gz XNJRZFVBNBUUJQ-GJZGRUSLSA-N 1 0 352.456 2.960 20 5 FFBDRO CC(C)[N@@H+](Cc1cccc(Cl)c1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174735668 510281341 /nfs/dbraw/zinc/28/13/41/510281341.db2.gz RIBGCXSIPQSHMR-INIZCTEOSA-N 1 0 352.822 2.716 20 5 FFBDRO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000265907825 510292824 /nfs/dbraw/zinc/29/28/24/510292824.db2.gz AISVKMWEVRMDJN-YZENIEGJSA-N 1 0 367.833 2.978 20 5 FFBDRO O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCC[C@H]1CC[NH2+]C1 ZINC000262593296 510328640 /nfs/dbraw/zinc/32/86/40/510328640.db2.gz SQQFEMRQBCRAHC-LLVKDONJSA-N 1 0 374.363 2.531 20 5 FFBDRO O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262612646 510336261 /nfs/dbraw/zinc/33/62/61/510336261.db2.gz DPMZAHIZTWORLL-CVEARBPZSA-N 1 0 361.445 2.508 20 5 FFBDRO O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000181416690 510398886 /nfs/dbraw/zinc/39/88/86/510398886.db2.gz PAQKBLNUFKGVGZ-GFCCVEGCSA-N 1 0 355.341 2.507 20 5 FFBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N[C@H]3CC[NH2+]C[C@H]3C)cc2[N+](=O)[O-])C1 ZINC000262918260 510475793 /nfs/dbraw/zinc/47/57/93/510475793.db2.gz ZCDAIAGGGOUBAT-DLTWYDFYSA-N 1 0 374.485 2.805 20 5 FFBDRO Cn1c(Sc2c(F)cc([N+](=O)[O-])cc2F)nnc1[C@@H]1CCC[NH2+]C1 ZINC000269618609 510485972 /nfs/dbraw/zinc/48/59/72/510485972.db2.gz HMKNEJWWEPLFCW-MRVPVSSYSA-N 1 0 355.370 2.620 20 5 FFBDRO C[NH+]1CCN(c2ccc(CNc3c(F)cc([N+](=O)[O-])cc3F)cn2)CC1 ZINC000269641667 510495634 /nfs/dbraw/zinc/49/56/34/510495634.db2.gz NZBKGMFKABWGAE-UHFFFAOYSA-N 1 0 363.368 2.632 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000175224800 510538847 /nfs/dbraw/zinc/53/88/47/510538847.db2.gz FIXIXTAIOJORGC-MRXNPFEDSA-N 1 0 363.458 2.538 20 5 FFBDRO C[N@@H+]1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C2(CCCCC2)C1 ZINC000178402057 510584689 /nfs/dbraw/zinc/58/46/89/510584689.db2.gz FBLRQVHENWMFTJ-UHFFFAOYSA-N 1 0 361.442 2.912 20 5 FFBDRO COC(=O)[C@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000188107057 510596978 /nfs/dbraw/zinc/59/69/78/510596978.db2.gz FDXQCXFTKCLNTQ-GUYCJALGSA-N 1 0 372.425 2.626 20 5 FFBDRO CC(C)N(C)c1ccc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cn1 ZINC000191383789 510632993 /nfs/dbraw/zinc/63/29/93/510632993.db2.gz FNUZEGNGKXLXQQ-INIZCTEOSA-N 1 0 370.457 2.916 20 5 FFBDRO C[C@H](Nc1ccc(C(=O)N2CC[C@@H](C[NH3+])C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000178519535 510643869 /nfs/dbraw/zinc/64/38/69/510643869.db2.gz XBQMIBIKNSPDLN-KBPBESRZSA-N 1 0 369.425 2.584 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]Cc1cnc(N2CCOCC2)c(F)c1 ZINC000185070702 510667592 /nfs/dbraw/zinc/66/75/92/510667592.db2.gz IUGHRPLXCFFPIS-UHFFFAOYSA-N 1 0 360.389 2.564 20 5 FFBDRO NC(=O)C[C@H]([NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CCCCC1 ZINC000182078443 510743744 /nfs/dbraw/zinc/74/37/44/510743744.db2.gz ANESJJRDSWSGDC-HNNXBMFYSA-N 1 0 373.413 2.559 20 5 FFBDRO CC(C)C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000172497830 510756661 /nfs/dbraw/zinc/75/66/61/510756661.db2.gz ZCVLBBCIZPQTRI-UHFFFAOYSA-N 1 0 370.247 2.771 20 5 FFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000247267792 510854941 /nfs/dbraw/zinc/85/49/41/510854941.db2.gz FIQCKGSRMPODET-HEHGZKQESA-N 1 0 351.472 2.874 20 5 FFBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000247781862 510870469 /nfs/dbraw/zinc/87/04/69/510870469.db2.gz XTBUISOICGAPIQ-CPUCHLNUSA-N 1 0 357.414 2.701 20 5 FFBDRO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)cc1 ZINC000277737115 510971250 /nfs/dbraw/zinc/97/12/50/510971250.db2.gz KLKWETBLMHHZSK-IUODEOHRSA-N 1 0 362.348 2.999 20 5 FFBDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)C(F)(F)c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000294246435 511003467 /nfs/dbraw/zinc/00/34/67/511003467.db2.gz SHTUHLILXRTRKW-INIZCTEOSA-N 1 0 353.369 2.631 20 5 FFBDRO COc1cc(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)c([N+](=O)[O-])cc1F ZINC000294340928 511031811 /nfs/dbraw/zinc/03/18/11/511031811.db2.gz LHGASRMKNXCWKV-ZDUSSCGKSA-N 1 0 367.402 2.837 20 5 FFBDRO C[NH+]1CCC([C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])c4cccnc34)C2)CC1 ZINC000271007093 511054937 /nfs/dbraw/zinc/05/49/37/511054937.db2.gz RIYRIWOOUAZWPT-HNNXBMFYSA-N 1 0 368.437 2.947 20 5 FFBDRO COc1cc(C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])cc1F ZINC000294456573 511071377 /nfs/dbraw/zinc/07/13/77/511071377.db2.gz BYHBKIGPXOXPEW-CYBMUJFWSA-N 1 0 365.405 2.833 20 5 FFBDRO C[NH+](C)CCn1nccc1NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000297871562 511095306 /nfs/dbraw/zinc/09/53/06/511095306.db2.gz ULLDTMJLUWYGES-UHFFFAOYSA-N 1 0 372.212 2.912 20 5 FFBDRO CC[N@H+](CCCO)Cc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000271175447 511107104 /nfs/dbraw/zinc/10/71/04/511107104.db2.gz FPNNRYYIOMGCQV-UHFFFAOYSA-N 1 0 366.336 2.749 20 5 FFBDRO C[C@@]1(CCCO)CCC[N@@H+]1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000271177403 511109424 /nfs/dbraw/zinc/10/94/24/511109424.db2.gz GDPXAPCMWLFODJ-INIZCTEOSA-N 1 0 355.822 2.814 20 5 FFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000289977372 511124495 /nfs/dbraw/zinc/12/44/95/511124495.db2.gz ZLYJMHXQUCKMMP-MRXNPFEDSA-N 1 0 364.446 2.516 20 5 FFBDRO C[C@H]1CN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000362077900 511128711 /nfs/dbraw/zinc/12/87/11/511128711.db2.gz KMUVLQZHZQQRQZ-YOEHRIQHSA-N 1 0 366.893 2.706 20 5 FFBDRO C[C@@H](NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])C1=CC[N@H+](C)CC1 ZINC000279627749 511151769 /nfs/dbraw/zinc/15/17/69/511151769.db2.gz IGNVYBXIAGSCSL-SNVBAGLBSA-N 1 0 355.797 2.696 20 5 FFBDRO O=C(NCCC[C@H]1CCC[NH2+]1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000294731210 511158759 /nfs/dbraw/zinc/15/87/59/511158759.db2.gz BQCKNXMTLWLDHE-OAHLLOKOSA-N 1 0 360.458 2.847 20 5 FFBDRO COc1ccc(OCC[NH+]2CCC([C@H]3CCOC3)CC2)c([N+](=O)[O-])c1 ZINC000364942117 511166667 /nfs/dbraw/zinc/16/66/67/511166667.db2.gz HZCPREWGMJGXEH-HNNXBMFYSA-N 1 0 350.415 2.731 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCn2cccc2[C@H]1C ZINC000298083991 511169613 /nfs/dbraw/zinc/16/96/13/511169613.db2.gz JWWDSEJNNBVNQY-CYBMUJFWSA-N 1 0 358.398 2.810 20 5 FFBDRO O=C1CC[C@H]([NH2+]Cc2ccc(Br)c([N+](=O)[O-])c2)C2(CCC2)N1 ZINC000282965963 511180766 /nfs/dbraw/zinc/18/07/66/511180766.db2.gz YSTUGAAHUPPENG-ZDUSSCGKSA-N 1 0 368.231 2.648 20 5 FFBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000362390241 511184941 /nfs/dbraw/zinc/18/49/41/511184941.db2.gz UBMSUHNAWKJXIH-SJORKVTESA-N 1 0 372.469 2.554 20 5 FFBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000362390238 511185247 /nfs/dbraw/zinc/18/52/47/511185247.db2.gz UBMSUHNAWKJXIH-DLBZAZTESA-N 1 0 372.469 2.554 20 5 FFBDRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000364985036 511191837 /nfs/dbraw/zinc/19/18/37/511191837.db2.gz IHCUZBOQSZDHKH-UHFFFAOYSA-N 1 0 368.437 2.834 20 5 FFBDRO CCOC(=O)[C@H](C)[C@H](C)[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000283068955 511221991 /nfs/dbraw/zinc/22/19/91/511221991.db2.gz JYASAZNEFSPGFI-OLZOCXBDSA-N 1 0 361.398 2.970 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH+]2CCC(c3ccccn3)CC2)c1 ZINC000362760935 511234702 /nfs/dbraw/zinc/23/47/02/511234702.db2.gz YOJUWTJWWQVZAC-KRWDZBQOSA-N 1 0 357.410 2.609 20 5 FFBDRO C[C@H](CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])CN1CCCCC1 ZINC000271569675 511248228 /nfs/dbraw/zinc/24/82/28/511248228.db2.gz BNRCLNZIYDDQGT-LLVKDONJSA-N 1 0 361.489 2.594 20 5 FFBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)CCC(=O)c3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000295078321 511274192 /nfs/dbraw/zinc/27/41/92/511274192.db2.gz WOUBJMBMGKXXRT-DOTOQJQBSA-N 1 0 359.426 2.500 20 5 FFBDRO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CC[N@@H+](C2CC2)C1 ZINC000295382125 511385527 /nfs/dbraw/zinc/38/55/27/511385527.db2.gz PPJZSYMHPSSCEL-NSHDSACASA-N 1 0 369.368 2.753 20 5 FFBDRO CC(C)c1n[nH]c(C(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000272035607 511407918 /nfs/dbraw/zinc/40/79/18/511407918.db2.gz NVDGJFIAZQOWSC-CYBMUJFWSA-N 1 0 359.430 2.692 20 5 FFBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2COC3(CCOCC3)O2)cc1[N+](=O)[O-] ZINC000272076481 511423342 /nfs/dbraw/zinc/42/33/42/511423342.db2.gz VSWLLZMVPMTJSR-UKRRQHHQSA-N 1 0 366.414 2.566 20 5 FFBDRO C[C@H]1OCC[C@@]12C[N@H+](CCc1ncc(-c3cccc([N+](=O)[O-])c3)o1)CCO2 ZINC000280334814 511425844 /nfs/dbraw/zinc/42/58/44/511425844.db2.gz HMOSARWONYKYLZ-AUUYWEPGSA-N 1 0 373.409 2.672 20 5 FFBDRO Cc1cc(F)c(NC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000283641887 511446156 /nfs/dbraw/zinc/44/61/56/511446156.db2.gz BZKSCXXVEDJUFK-ZDUSSCGKSA-N 1 0 350.394 2.992 20 5 FFBDRO CC(C)(CCC(=O)NCc1c(Cl)cccc1-n1ccnc1)[N+](=O)[O-] ZINC000295605061 511457832 /nfs/dbraw/zinc/45/78/32/511457832.db2.gz PJBGJUNYQSFKSA-UHFFFAOYSA-N 1 0 350.806 2.977 20 5 FFBDRO C[N@@H+]1CC[C@]2(CCN(Cc3ccc(Br)c([N+](=O)[O-])c3)C2)C1 ZINC000292106802 511468275 /nfs/dbraw/zinc/46/82/75/511468275.db2.gz IOXSROHFCFGVOS-HNNXBMFYSA-N 1 0 354.248 2.885 20 5 FFBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])NC1CC[NH+](Cc2ccccn2)CC1 ZINC000299120970 511522084 /nfs/dbraw/zinc/52/20/84/511522084.db2.gz ZYBSUZAZJVVMBW-CMDGGOBGSA-N 1 0 366.421 2.784 20 5 FFBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000363416268 511536495 /nfs/dbraw/zinc/53/64/95/511536495.db2.gz BHAQXWSBQOZYKC-AEFFLSMTSA-N 1 0 360.458 2.844 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000292352548 511563288 /nfs/dbraw/zinc/56/32/88/511563288.db2.gz PVJLRUUBTMIGRR-CQSZACIVSA-N 1 0 360.458 2.648 20 5 FFBDRO CC[C@@H](C)[NH+]1CCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000296025184 511593211 /nfs/dbraw/zinc/59/32/11/511593211.db2.gz MDAPKLXIVDYBJT-CHWSQXEVSA-N 1 0 368.865 2.991 20 5 FFBDRO Cc1cc(N2CCC([NH2+][C@@H](C)c3ccc(N)c([N+](=O)[O-])c3)CC2)nc(C)n1 ZINC000284155739 511625274 /nfs/dbraw/zinc/62/52/74/511625274.db2.gz PNBBHOBSWJXPGE-ZDUSSCGKSA-N 1 0 370.457 2.903 20 5 FFBDRO C[C@H]([NH2+]Cc1cccc(CS(C)(=O)=O)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284248754 511656744 /nfs/dbraw/zinc/65/67/44/511656744.db2.gz VLMBKWXRJWCTPN-LBPRGKRZSA-N 1 0 363.439 2.572 20 5 FFBDRO C[N@@H+]1CCC[C@@]2(CCN(c3ncc([N+](=O)[O-])cc3Br)C2)C1 ZINC000292691253 511686931 /nfs/dbraw/zinc/68/69/31/511686931.db2.gz FMBSZBCPZNNDKN-CQSZACIVSA-N 1 0 355.236 2.674 20 5 FFBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000292729371 511701247 /nfs/dbraw/zinc/70/12/47/511701247.db2.gz GLMGYTXJXUTISF-ZDUSSCGKSA-N 1 0 373.375 2.768 20 5 FFBDRO C[C@H]([NH2+][C@H]1CCN(C)[C@@H]1c1ccccc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000284417809 511715556 /nfs/dbraw/zinc/71/55/56/511715556.db2.gz XRQWWNJLTSHVJB-UCLAIMLFSA-N 1 0 368.437 2.957 20 5 FFBDRO CN(C(=O)c1cc([N+](=O)[O-])c(F)cc1N)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000284452002 511728066 /nfs/dbraw/zinc/72/80/66/511728066.db2.gz RBTHUKZCYIZYGP-AWEZNQCLSA-N 1 0 372.400 2.663 20 5 FFBDRO CC[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000303511240 511739497 /nfs/dbraw/zinc/73/94/97/511739497.db2.gz BNIXTSVMSHLRBT-OAHLLOKOSA-N 1 0 369.487 2.754 20 5 FFBDRO C[N@@H+]1CC[C@H]2OCCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)[C@@H]2C1 ZINC000284521964 511757645 /nfs/dbraw/zinc/75/76/45/511757645.db2.gz FPXOQCPTWFDTIP-IEBWSBKVSA-N 1 0 357.410 2.760 20 5 FFBDRO NC(=O)c1ccc(N[C@H]2CCC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000311246233 511776048 /nfs/dbraw/zinc/77/60/48/511776048.db2.gz HQSXGEWNZXAWLE-INIZCTEOSA-N 1 0 354.410 2.770 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)n1 ZINC000312597582 511785941 /nfs/dbraw/zinc/78/59/41/511785941.db2.gz FIHSRZPESIZCOC-HIFRSBDPSA-N 1 0 370.409 2.851 20 5 FFBDRO O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000296549026 511792301 /nfs/dbraw/zinc/79/23/01/511792301.db2.gz BSYJSRBGEBBHKR-QGZVFWFLSA-N 1 0 359.426 2.691 20 5 FFBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCCn2cc(Br)cn2)cc1 ZINC000314152073 511793729 /nfs/dbraw/zinc/79/37/29/511793729.db2.gz HMORHYIXQLOVMF-UHFFFAOYSA-N 1 0 353.220 2.776 20 5 FFBDRO Cc1ccc(C(=O)N2C[C@@H](C[NH+](C)C)Oc3ccccc32)cc1[N+](=O)[O-] ZINC000363879696 511826926 /nfs/dbraw/zinc/82/69/26/511826926.db2.gz PJEJBEATVFOQEF-OAHLLOKOSA-N 1 0 355.394 2.873 20 5 FFBDRO Cc1c(Cl)cc(S(=O)(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)cc1[N+](=O)[O-] ZINC000324855837 511841545 /nfs/dbraw/zinc/84/15/45/511841545.db2.gz LKTIMKSDKJNEEP-LLVKDONJSA-N 1 0 373.862 2.510 20 5 FFBDRO CC(C)[C@H]([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1(CO)CCC1 ZINC000293167296 511866238 /nfs/dbraw/zinc/86/62/38/511866238.db2.gz VDINBABVRAMOKF-INIZCTEOSA-N 1 0 360.414 2.922 20 5 FFBDRO C[C@H]([NH2+]Cc1cccc(S(=O)(=O)N(C)C)c1)c1ccc([N+](=O)[O-])cc1 ZINC000296854997 511924995 /nfs/dbraw/zinc/92/49/95/511924995.db2.gz YLPHYGQFQZSUEP-ZDUSSCGKSA-N 1 0 363.439 2.696 20 5 FFBDRO CCNC(=O)[C@@H]([NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1)C(C)C ZINC000293386820 511946478 /nfs/dbraw/zinc/94/64/78/511946478.db2.gz WSFGDIRCBRGXJB-ZDUSSCGKSA-N 1 0 358.236 2.608 20 5 FFBDRO Cc1c(C(=O)N(C)CCC[NH+]2CCCC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000281747456 511951943 /nfs/dbraw/zinc/95/19/43/511951943.db2.gz PFNOPQGZFIFRPY-UHFFFAOYSA-N 1 0 364.402 2.678 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000281912228 512008596 /nfs/dbraw/zinc/00/85/96/512008596.db2.gz JACLQGLKSQJNNC-BBRMVZONSA-N 1 0 362.430 2.942 20 5 FFBDRO Cc1nc(CN2CCC(CNc3ncc([N+](=O)[O-])c(C)n3)CC2)oc1C ZINC000297136194 512033117 /nfs/dbraw/zinc/03/31/17/512033117.db2.gz NIOGKQGONKBNKF-UHFFFAOYSA-N 1 0 360.418 2.622 20 5 FFBDRO C[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@]2(CCCOC2)O1 ZINC000366484455 512048113 /nfs/dbraw/zinc/04/81/13/512048113.db2.gz JDSNXHZXPBWAAI-PXAZEXFGSA-N 1 0 372.368 2.966 20 5 FFBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCOC3(CCOCC3)CC2)cc1 ZINC000364264615 512054165 /nfs/dbraw/zinc/05/41/65/512054165.db2.gz RNWGWPZTWPADLA-UHFFFAOYSA-N 1 0 350.415 2.635 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCCC[C@@H]2c2nc3ccccc3o2)c1 ZINC000360037880 512065332 /nfs/dbraw/zinc/06/53/32/512065332.db2.gz SEHBFYYRSKOHCV-GDBMZVCRSA-N 1 0 371.397 2.521 20 5 FFBDRO CC(C)C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCCc2cccnc21 ZINC000364342920 512094299 /nfs/dbraw/zinc/09/42/99/512094299.db2.gz WAMBOEGQVRLGSA-ROUUACIJSA-N 1 0 373.457 2.583 20 5 FFBDRO COc1cc2c(c(C[NH+]3CCC(n4ccc([N+](=O)[O-])n4)CC3)c1)O[C@H](C)C2 ZINC000369555879 512475565 /nfs/dbraw/zinc/47/55/65/512475565.db2.gz HNQPVAGYGOKUQK-CYBMUJFWSA-N 1 0 372.425 2.960 20 5 FFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]Cc1cnc2n1CCCC2 ZINC000367438332 512498680 /nfs/dbraw/zinc/49/86/80/512498680.db2.gz MHZDLQRVVPPGRX-CYBMUJFWSA-N 1 0 357.414 2.635 20 5 FFBDRO COC(=O)c1ccc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1F ZINC000369684898 512553459 /nfs/dbraw/zinc/55/34/59/512553459.db2.gz YMVNTTROWZLURW-UHFFFAOYSA-N 1 0 362.361 2.554 20 5 FFBDRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)c2cc(F)ccc2[N+](=O)[O-])cc1 ZINC000367595946 512576838 /nfs/dbraw/zinc/57/68/38/512576838.db2.gz ZRTCRHDGAMQZNL-RDJZCZTQSA-N 1 0 373.384 2.618 20 5 FFBDRO COc1ccc(NC(=O)CC[N@H+](CCO)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000411402689 512618797 /nfs/dbraw/zinc/61/87/97/512618797.db2.gz UKAVYBLRXCIFPH-UHFFFAOYSA-N 1 0 365.430 2.559 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(c2c[nH]cn2)CC1 ZINC000374212252 512709742 /nfs/dbraw/zinc/70/97/42/512709742.db2.gz PLWCZIXEBAFPIU-UHFFFAOYSA-N 1 0 373.413 2.535 20 5 FFBDRO CCOC(=O)CC1([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CCCC1 ZINC000411662690 512743792 /nfs/dbraw/zinc/74/37/92/512743792.db2.gz DGVGTHUHNHBORL-UHFFFAOYSA-N 1 0 363.414 2.779 20 5 FFBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000376328384 512770428 /nfs/dbraw/zinc/77/04/28/512770428.db2.gz RWNPPQKYHJZSSZ-INIZCTEOSA-N 1 0 360.458 2.796 20 5 FFBDRO CN(C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000376402203 512803254 /nfs/dbraw/zinc/80/32/54/512803254.db2.gz HEDNCWBXDOZRKF-ONXXMXGDSA-N 1 0 370.409 2.546 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N3CC[C@H]4CC[NH2+][C@@H]4C3)cc2[N+](=O)[O-])CC1 ZINC000376458415 512826432 /nfs/dbraw/zinc/82/64/32/512826432.db2.gz QNTDRVVTEPDWMA-NVXWUHKLSA-N 1 0 372.469 2.655 20 5 FFBDRO CO[C@H]1c2ccccc2C[C@H]1[NH2+][C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000411888144 512862362 /nfs/dbraw/zinc/86/23/62/512862362.db2.gz AGDISFXWWSAUMN-NJAPINKUSA-N 1 0 355.394 2.824 20 5 FFBDRO C[C@@H](C(=O)Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000411996280 512907260 /nfs/dbraw/zinc/90/72/60/512907260.db2.gz GEQJXDHFJOITQK-TUAOUCFPSA-N 1 0 358.402 2.580 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2Cc1ccc([N+](=O)[O-])cc1Cl ZINC000374695359 512959999 /nfs/dbraw/zinc/95/99/99/512959999.db2.gz FKVAHQZXROFEJP-XOKHGSTOSA-N 1 0 353.850 2.932 20 5 FFBDRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000412151643 512978368 /nfs/dbraw/zinc/97/83/68/512978368.db2.gz DFQKEOUPQASMBC-AYOQOUSVSA-N 1 0 357.454 2.889 20 5 FFBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1C[C@H](C)N(C)C[C@@H]1C ZINC000408003326 512982471 /nfs/dbraw/zinc/98/24/71/512982471.db2.gz DZSIQOLWKVYIFY-UWVGGRQHSA-N 1 0 370.247 2.830 20 5 FFBDRO C[N@@H+]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)[C@H](c2ccccc2)C1 ZINC000412214344 513000205 /nfs/dbraw/zinc/00/02/05/513000205.db2.gz GHQYQPGQECJZFR-YRPNKDGESA-N 1 0 365.433 2.912 20 5 FFBDRO C[NH+]1CCC(N2CC[C@H]([NH2+][C@@H](Cc3ccccc3[N+](=O)[O-])C3CC3)C2)CC1 ZINC000370624066 513019871 /nfs/dbraw/zinc/01/98/71/513019871.db2.gz GOTWQTBXNGWYNZ-ICSRJNTNSA-N 1 0 372.513 2.674 20 5 FFBDRO O=[N+]([O-])c1ccc2oc(CN3CC[C@@](O)(c4ccc(F)cc4)C3)nc2c1 ZINC000374898553 513061511 /nfs/dbraw/zinc/06/15/11/513061511.db2.gz ODWFQCAURHCSKF-SFHVURJKSA-N 1 0 357.341 2.969 20 5 FFBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)[C@@H]2C1 ZINC000374918555 513072230 /nfs/dbraw/zinc/07/22/30/513072230.db2.gz SJQHOKSZOQACML-BLLLJJGKSA-N 1 0 372.450 2.885 20 5 FFBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)[C@H]2C1 ZINC000374918556 513072807 /nfs/dbraw/zinc/07/28/07/513072807.db2.gz SJQHOKSZOQACML-LRDDRELGSA-N 1 0 372.450 2.885 20 5 FFBDRO CN(C(=O)C[NH2+][C@@H](c1ccccc1)[C@H]1CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000374990122 513100405 /nfs/dbraw/zinc/10/04/05/513100405.db2.gz LSVNJUAOWYYMHH-JXFKEZNVSA-N 1 0 369.421 2.925 20 5 FFBDRO COc1ccc(C[NH2+]C[C@]2(CO)C[C@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000428553548 513128562 /nfs/dbraw/zinc/12/85/62/513128562.db2.gz XIYOPPCELOHGGD-LPHOPBHVSA-N 1 0 360.385 2.998 20 5 FFBDRO Cc1ccc(NCCCNC(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000417714715 513177226 /nfs/dbraw/zinc/17/72/26/513177226.db2.gz IUBBNDNSTCKEKG-ZBFHGGJFSA-N 1 0 363.462 2.617 20 5 FFBDRO CC[NH+](CC)C[C@@H](C)NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000446113997 513188887 /nfs/dbraw/zinc/18/88/87/513188887.db2.gz XOXPHXOKZICRMN-LLVKDONJSA-N 1 0 372.263 2.746 20 5 FFBDRO CCC[N@@H+]1CC[C@H](CNC(=O)Nc2cc([N+](=O)[O-])ccc2OCC)C1 ZINC000439883651 513203508 /nfs/dbraw/zinc/20/35/08/513203508.db2.gz PVYIJTMXTQJAQM-CYBMUJFWSA-N 1 0 350.419 2.847 20 5 FFBDRO Cc1ccc([C@@H](C)NC(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000417854507 513240245 /nfs/dbraw/zinc/24/02/45/513240245.db2.gz QDCQLBYELKBLCP-RHSMWYFYSA-N 1 0 360.458 2.995 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H]3CCc4nnnn4CC3)s2)cc1 ZINC000421394581 513247890 /nfs/dbraw/zinc/24/78/90/513247890.db2.gz GTEDXYPRWCMQQM-ZDUSSCGKSA-N 1 0 370.438 2.805 20 5 FFBDRO C[C@H]1C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])Cc2ccccc2O1 ZINC000429140479 513289193 /nfs/dbraw/zinc/28/91/93/513289193.db2.gz ZLRRLQCJKISWIF-HOCLYGCPSA-N 1 0 358.394 2.618 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N[C@](C)(C[NH3+])C3CC3)cc2[N+](=O)[O-])C1 ZINC000429221611 513308026 /nfs/dbraw/zinc/30/80/26/513308026.db2.gz KSGUAQIXZDHZIX-BFUOFWGJSA-N 1 0 360.458 2.688 20 5 FFBDRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000417980289 513314376 /nfs/dbraw/zinc/31/43/76/513314376.db2.gz BDLMBOJMJDEOQV-GXTWGEPZSA-N 1 0 354.838 2.607 20 5 FFBDRO C[C@H]1CCN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[C@H](C[NH3+])C1 ZINC000418086176 513367490 /nfs/dbraw/zinc/36/74/90/513367490.db2.gz CEEXEGMQIPZWLD-HZMBPMFUSA-N 1 0 374.363 2.882 20 5 FFBDRO CCC[C@@H]1C[NH2+]CCN1C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000418093013 513368571 /nfs/dbraw/zinc/36/85/71/513368571.db2.gz SGRPQGKRXJGSMN-CYBMUJFWSA-N 1 0 374.363 2.897 20 5 FFBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425016808 513373304 /nfs/dbraw/zinc/37/33/04/513373304.db2.gz XSJXPGMAPAYFDA-MAUKXSAKSA-N 1 0 366.421 2.524 20 5 FFBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000421710157 513381902 /nfs/dbraw/zinc/38/19/02/513381902.db2.gz JDBMOWFXVOQDKS-OAHLLOKOSA-N 1 0 354.410 2.823 20 5 FFBDRO CC(C)(CCC[NH3+])NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415699532 513387296 /nfs/dbraw/zinc/38/72/96/513387296.db2.gz JGZWMYBRRYZPKW-UHFFFAOYSA-N 1 0 359.224 2.996 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000425056743 513394465 /nfs/dbraw/zinc/39/44/65/513394465.db2.gz KPVSTLHUPGUVNS-TYNCELHUSA-N 1 0 367.833 2.568 20 5 FFBDRO C[C@@H]1C[N@@H+](CCCNc2ncc([N+](=O)[O-])cc2C(F)(F)F)C[C@H](C)O1 ZINC000413034541 513396994 /nfs/dbraw/zinc/39/69/94/513396994.db2.gz BHLMKVMSHFHMIZ-PHIMTYICSA-N 1 0 362.352 2.920 20 5 FFBDRO C[C@H]1C[NH+](CCCNc2ncc([N+](=O)[O-])cc2C(F)(F)F)C[C@H](C)O1 ZINC000413034545 513397297 /nfs/dbraw/zinc/39/72/97/513397297.db2.gz BHLMKVMSHFHMIZ-QWRGUYRKSA-N 1 0 362.352 2.920 20 5 FFBDRO CCOc1cc(NC(C)(C)C[NH+]2CCN(CC)CC2)ccc1[N+](=O)[O-] ZINC000450925297 513406748 /nfs/dbraw/zinc/40/67/48/513406748.db2.gz XWUHNYFSODDNIS-UHFFFAOYSA-N 1 0 350.463 2.822 20 5 FFBDRO CN(c1ncc([N+](=O)[O-])cc1F)C1CC[NH+](CCc2ccccn2)CC1 ZINC000413107856 513450792 /nfs/dbraw/zinc/45/07/92/513450792.db2.gz QFYKYRYLPLGDOX-UHFFFAOYSA-N 1 0 359.405 2.667 20 5 FFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000429723306 513451750 /nfs/dbraw/zinc/45/17/50/513451750.db2.gz JUPRJYHZNJAMIZ-CQSZACIVSA-N 1 0 371.441 2.964 20 5 FFBDRO O=[N+]([O-])c1ccc2ccnc(N3CCC[C@@H](C[NH+]4CCOCC4)C3)c2c1 ZINC000413135980 513471451 /nfs/dbraw/zinc/47/14/51/513471451.db2.gz KEXSWFMGAQDURH-HNNXBMFYSA-N 1 0 356.426 2.692 20 5 FFBDRO CN(C)C(=O)c1cccc(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000447525653 513496854 /nfs/dbraw/zinc/49/68/54/513496854.db2.gz APYAOYUBEWODKV-DLBZAZTESA-N 1 0 371.441 2.767 20 5 FFBDRO Cc1ccc(NCCCNC(=O)Nc2ccc(C[NH3+])cc2)c([N+](=O)[O-])c1 ZINC000415966583 513504861 /nfs/dbraw/zinc/50/48/61/513504861.db2.gz AJFDWIUKSILLTQ-UHFFFAOYSA-N 1 0 357.414 2.986 20 5 FFBDRO [NH3+][C@@H](CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccccc1 ZINC000418426489 513505027 /nfs/dbraw/zinc/50/50/27/513505027.db2.gz JYRXXQDFYCCBKZ-SFHVURJKSA-N 1 0 354.410 2.969 20 5 FFBDRO O=C1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CN1c1ccccc1 ZINC000447560471 513509090 /nfs/dbraw/zinc/50/90/90/513509090.db2.gz CZORXYCUEVFRTN-UAGQMJEPSA-N 1 0 369.425 2.670 20 5 FFBDRO CN(C(=O)C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)C1CCCCC1 ZINC000447586946 513515574 /nfs/dbraw/zinc/51/55/74/513515574.db2.gz OEZGNTNSYBAUER-HOTGVXAUSA-N 1 0 363.462 2.656 20 5 FFBDRO CCN(CCC[NH+]1CCCC1)C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000451111925 513531990 /nfs/dbraw/zinc/53/19/90/513531990.db2.gz HZOPRNVCTWMGDC-UHFFFAOYSA-N 1 0 371.441 2.729 20 5 FFBDRO [NH3+]CC[C@@H](NC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)C(F)(F)F ZINC000416052527 513557797 /nfs/dbraw/zinc/55/77/97/513557797.db2.gz UYYAOOGDXXNFKI-TZMCWYRMSA-N 1 0 374.363 2.764 20 5 FFBDRO CS[C@H]1CN(Cc2ccc(Br)cc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000425426814 513560091 /nfs/dbraw/zinc/56/00/91/513560091.db2.gz WUVULMZUNHEEQW-KGLIPLIRSA-N 1 0 374.304 2.835 20 5 FFBDRO [NH3+][C@@H]1CCN(Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000435376605 513569065 /nfs/dbraw/zinc/56/90/65/513569065.db2.gz RZXCFTWIBCKUGH-QGZVFWFLSA-N 1 0 363.421 2.981 20 5 FFBDRO CN(C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)C(C)(C)C[NH+]1CCCC1 ZINC000416106520 513573671 /nfs/dbraw/zinc/57/36/71/513573671.db2.gz MURMLLHDXSMDIU-UHFFFAOYSA-N 1 0 355.385 2.748 20 5 FFBDRO CN(c1ncc([N+](=O)[O-])cc1F)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000413317558 513588261 /nfs/dbraw/zinc/58/82/61/513588261.db2.gz MLQHXDSQWYQGEA-UHFFFAOYSA-N 1 0 350.316 2.982 20 5 FFBDRO C[C@@H](O)C[C@H]1CCCCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000447840324 513593426 /nfs/dbraw/zinc/59/34/26/513593426.db2.gz RCZAIAVGFDHZKP-VXGBXAGGSA-N 1 0 355.822 2.812 20 5 FFBDRO COC(=O)[C@@H](CC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1ccccc1 ZINC000425488065 513595271 /nfs/dbraw/zinc/59/52/71/513595271.db2.gz WNAAYSXTOGDUEQ-KRWDZBQOSA-N 1 0 372.425 2.775 20 5 FFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCN2C[C@H]3CC[C@@H](C2)O3)o1 ZINC000451218209 513601353 /nfs/dbraw/zinc/60/13/53/513601353.db2.gz AOJUPKDIGGKCEI-IYBDPMFKSA-N 1 0 357.410 2.808 20 5 FFBDRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000418733344 513630754 /nfs/dbraw/zinc/63/07/54/513630754.db2.gz KQCXXPDQBPUJDY-XWDOCUNGSA-N 1 0 372.469 3.000 20 5 FFBDRO COc1ccc(C(=O)Nc2cc(C)nn2C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000430430015 513650638 /nfs/dbraw/zinc/65/06/38/513650638.db2.gz KCJVAAAPNIZLHE-UHFFFAOYSA-N 1 0 373.413 2.627 20 5 FFBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2C[C@H](O)C[C@@H]2[C@@H]2CCCOC2)c1 ZINC000451311863 513669883 /nfs/dbraw/zinc/66/98/83/513669883.db2.gz ZHNTWAOGJUNOOE-DJSGYFEHSA-N 1 0 374.359 2.975 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000448080291 513670760 /nfs/dbraw/zinc/67/07/60/513670760.db2.gz LXYDLAGVAIYIKR-HNNXBMFYSA-N 1 0 350.419 2.845 20 5 FFBDRO O=C(CC[N@H+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O)Nc1ccccc1[N+](=O)[O-] ZINC000451340827 513686426 /nfs/dbraw/zinc/68/64/26/513686426.db2.gz KJIZTYLGQCPKFA-KYJSFNMBSA-N 1 0 361.442 2.939 20 5 FFBDRO O=C1[C@H]([N@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)CCN1c1cccc([N+](=O)[O-])c1 ZINC000451343684 513690053 /nfs/dbraw/zinc/69/00/53/513690053.db2.gz OSIQADPCXAQWBR-WJFTUGDTSA-N 1 0 373.453 2.716 20 5 FFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000451349116 513694133 /nfs/dbraw/zinc/69/41/33/513694133.db2.gz WOZOJSTWEUACDM-BVPBIZIASA-N 1 0 361.442 2.937 20 5 FFBDRO C[C@H]([NH2+][C@@H]1CCO[C@@H](c2ccccn2)C1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000419304541 513768796 /nfs/dbraw/zinc/76/87/96/513768796.db2.gz JYKLXRYOZIMNIF-JCKWVBRZSA-N 1 0 370.409 2.827 20 5 FFBDRO CCO[C@@H]1C[C@H]([NH2+]CCOc2ccc(OC)cc2[N+](=O)[O-])C12CCC2 ZINC000451472287 513769821 /nfs/dbraw/zinc/76/98/21/513769821.db2.gz KFAKCNLSLITKTO-DLBZAZTESA-N 1 0 350.415 2.920 20 5 FFBDRO CO[C@]1(C)C[C@H]([NH2+]CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1(C)C ZINC000451488292 513782363 /nfs/dbraw/zinc/78/23/63/513782363.db2.gz MJMOPRDVGQXWFM-MAUKXSAKSA-N 1 0 363.414 2.686 20 5 FFBDRO CC(C)O[C@@H]1C[C@H]([NH2+]CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1(C)C ZINC000451492166 513785854 /nfs/dbraw/zinc/78/58/54/513785854.db2.gz FRYXTFSLLUCKLG-DLBZAZTESA-N 1 0 361.442 2.666 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCSC[C@H]1C1CCC1 ZINC000419375388 513792382 /nfs/dbraw/zinc/79/23/82/513792382.db2.gz QLKWRPRVJPFHIR-ZBFHGGJFSA-N 1 0 352.456 2.552 20 5 FFBDRO CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C(C)(C)C[NH+]1CCCC1 ZINC000419373196 513792545 /nfs/dbraw/zinc/79/25/45/513792545.db2.gz HZTNOKAYFDJFKM-UHFFFAOYSA-N 1 0 368.865 2.993 20 5 FFBDRO CO[C@@H]1[C@H](C)[C@H]([NH2+]CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1(C)C ZINC000451509819 513798772 /nfs/dbraw/zinc/79/87/72/513798772.db2.gz ZLDBOHBMIMUWGZ-XFBWCDHKSA-N 1 0 363.414 2.542 20 5 FFBDRO O=C(NCCC[NH+]1CCCCCC1)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448608531 513805805 /nfs/dbraw/zinc/80/58/05/513805805.db2.gz WMAANNFIMHRUAQ-UHFFFAOYSA-N 1 0 371.441 2.776 20 5 FFBDRO C[C@@H]1C[C@H](NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC[N@@H+]1C ZINC000426068459 513839676 /nfs/dbraw/zinc/83/96/76/513839676.db2.gz YHYBJVIRRUYHLJ-ZWNOBZJWSA-N 1 0 374.363 2.896 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2noc(C[NH2+][C@@H]([C@@H](CO)C3CC3)C3CC3)n2)cc1 ZINC000451600725 513859443 /nfs/dbraw/zinc/85/94/43/513859443.db2.gz HJPIACYOYCLGSK-DOTOQJQBSA-N 1 0 358.398 2.532 20 5 FFBDRO C[NH+](C)C1(CNC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)CCCC1 ZINC000448718620 513864602 /nfs/dbraw/zinc/86/46/02/513864602.db2.gz ZFHQWRCEONEXFC-UHFFFAOYSA-N 1 0 357.414 2.589 20 5 FFBDRO C[C@H](CNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)[NH+]1CCC(C)CC1 ZINC000448814929 513912043 /nfs/dbraw/zinc/91/20/43/513912043.db2.gz XZENVGGUEXBBGG-OAHLLOKOSA-N 1 0 361.442 2.794 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@H](CO)CC(C)(C)C ZINC000451785865 513979924 /nfs/dbraw/zinc/97/99/24/513979924.db2.gz VVYWDFOGOGEUFP-HNNXBMFYSA-N 1 0 351.447 2.961 20 5 FFBDRO CN(C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000448963915 513996378 /nfs/dbraw/zinc/99/63/78/513996378.db2.gz UGZLVEKDHBLLFB-GFCCVEGCSA-N 1 0 357.332 2.922 20 5 FFBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000448985468 514007568 /nfs/dbraw/zinc/00/75/68/514007568.db2.gz XGKHNFKMLHYXHI-MRXNPFEDSA-N 1 0 361.442 2.938 20 5 FFBDRO CC[NH+](CC)CCN(CC(C)C)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443706900 514025919 /nfs/dbraw/zinc/02/59/19/514025919.db2.gz IXJLHDPOVLNJLM-UHFFFAOYSA-N 1 0 371.503 2.724 20 5 FFBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(C)(C)CCC[NH+](C)C ZINC000451881684 514043602 /nfs/dbraw/zinc/04/36/02/514043602.db2.gz BRVFLYJZSGUYFF-UHFFFAOYSA-N 1 0 357.476 2.556 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(N2CCO[C@H](C)C2)nc1 ZINC000449085044 514065184 /nfs/dbraw/zinc/06/51/84/514065184.db2.gz ZXQDXHAGALBCCA-JKSUJKDBSA-N 1 0 370.453 2.936 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccc(OCC(=O)N(C)C)c1 ZINC000449094075 514069154 /nfs/dbraw/zinc/06/91/54/514069154.db2.gz ZNEMXEGZIPBILG-OAHLLOKOSA-N 1 0 371.437 2.783 20 5 FFBDRO [NH3+][C@H]1CCCO[C@H]1C1CCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000420291664 514075215 /nfs/dbraw/zinc/07/52/15/514075215.db2.gz XOHBSTJYGDKBCH-NHYWBVRUSA-N 1 0 374.363 2.731 20 5 FFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])NC[C@]1(COC)CCC[NH2+]1 ZINC000423414896 514135137 /nfs/dbraw/zinc/13/51/37/514135137.db2.gz OAYHSWUDDAIEEJ-YOEHRIQHSA-N 1 0 353.488 2.824 20 5 FFBDRO CCc1n[nH]c(C(=O)N[C@H]2CCCC[C@H]2C[NH+](CC)CC)c1[N+](=O)[O-] ZINC000444270338 514174309 /nfs/dbraw/zinc/17/43/09/514174309.db2.gz OPESSQIAVHZTEM-JSGCOSHPSA-N 1 0 351.451 2.511 20 5 FFBDRO C[C@H](NC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000417140126 514189199 /nfs/dbraw/zinc/18/91/99/514189199.db2.gz PLUDVNNDFDUNSM-DOPJRALCSA-N 1 0 354.410 2.792 20 5 FFBDRO COC[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000452106476 514195257 /nfs/dbraw/zinc/19/52/57/514195257.db2.gz QQXQKQVOUZDKGK-KGLIPLIRSA-N 1 0 365.430 2.679 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000417185904 514217935 /nfs/dbraw/zinc/21/79/35/514217935.db2.gz SHFGXWSPYCACLA-LBPRGKRZSA-N 1 0 358.398 2.623 20 5 FFBDRO COc1ccc(CNC(=O)NCc2ccc([C@H](C)[NH3+])cc2)cc1[N+](=O)[O-] ZINC000417194451 514222496 /nfs/dbraw/zinc/22/24/96/514222496.db2.gz MPLXQFXOSZBWAW-LBPRGKRZSA-N 1 0 358.398 2.623 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+]C[C@@H]2CCCC2(F)F)cc1[N+](=O)[O-] ZINC000449491037 514226755 /nfs/dbraw/zinc/22/67/55/514226755.db2.gz DWDRQUWRKQASRC-LBPRGKRZSA-N 1 0 358.341 2.672 20 5 FFBDRO CCc1ccccc1[C@H]([NH3+])CNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000417226030 514244321 /nfs/dbraw/zinc/24/43/21/514244321.db2.gz KCSHPTASUAWGHO-GOSISDBHSA-N 1 0 356.426 2.699 20 5 FFBDRO O=C(COc1ccccc1[N+](=O)[O-])NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000437873678 514258124 /nfs/dbraw/zinc/25/81/24/514258124.db2.gz IYNXGZIYTURYDL-INIZCTEOSA-N 1 0 361.442 2.887 20 5 FFBDRO Cn1nccc1[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000449596765 514265508 /nfs/dbraw/zinc/26/55/08/514265508.db2.gz YEYLRBIJEXTFMI-WBMJQRKESA-N 1 0 350.806 2.992 20 5 FFBDRO CCOc1cc(NC(=O)NCC[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])cc1OCC ZINC000414758307 514276366 /nfs/dbraw/zinc/27/63/66/514276366.db2.gz MRKFLRADALPMPW-LBPRGKRZSA-N 1 0 366.418 2.513 20 5 FFBDRO CCOC(=O)c1cc(NCCC[N@@H+]2CCCO[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000432861962 514305393 /nfs/dbraw/zinc/30/53/93/514305393.db2.gz CQQCAABJCBIMFE-CQSZACIVSA-N 1 0 365.430 2.684 20 5 FFBDRO [NH3+]C[C@H]1CC[C@@H](NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000449721914 514322505 /nfs/dbraw/zinc/32/25/05/514322505.db2.gz UVGAYQCWRMEKRY-CMPLNLGQSA-N 1 0 374.363 2.659 20 5 FFBDRO C[C@@H]1CN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@@]1(C)C[NH3+] ZINC000423986972 514323584 /nfs/dbraw/zinc/32/35/84/514323584.db2.gz URJRRPWBAQPFTM-PIGZYNQJSA-N 1 0 360.439 2.775 20 5 FFBDRO COC(=O)c1cnc(Nc2cccc3c2OCC[C@@H]3[NH+](C)C)c([N+](=O)[O-])c1 ZINC000432925279 514324169 /nfs/dbraw/zinc/32/41/69/514324169.db2.gz BJCIUVMCNOERMJ-AWEZNQCLSA-N 1 0 372.381 2.905 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N3CC[C@H](C)[C@H](C[NH3+])C3)cc2[N+](=O)[O-])C1 ZINC000423997620 514328840 /nfs/dbraw/zinc/32/88/40/514328840.db2.gz ACHIDGRVBXDHLU-HLLBOEOZSA-N 1 0 374.485 2.888 20 5 FFBDRO [NH3+][C@H]1CCO[C@@H](C2CCN(C(=O)c3c(Cl)cccc3[N+](=O)[O-])CC2)C1 ZINC000424003845 514332844 /nfs/dbraw/zinc/33/28/44/514332844.db2.gz AAJYMLVJQXBBKY-SWLSCSKDSA-N 1 0 367.833 2.607 20 5 FFBDRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000424009908 514338450 /nfs/dbraw/zinc/33/84/50/514338450.db2.gz ZDRYDUVUUCGQLT-HZPDHXFCSA-N 1 0 367.833 2.607 20 5 FFBDRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000424009903 514338501 /nfs/dbraw/zinc/33/85/01/514338501.db2.gz ZDRYDUVUUCGQLT-CVEARBPZSA-N 1 0 367.833 2.607 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])[nH]1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000427910115 514345376 /nfs/dbraw/zinc/34/53/76/514345376.db2.gz WVUXZQSHUCQPMZ-JKSUJKDBSA-N 1 0 354.410 2.517 20 5 FFBDRO C[C@H]1CCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]1C[NH3+] ZINC000424028721 514347895 /nfs/dbraw/zinc/34/78/95/514347895.db2.gz YYAUZGIZQQVIGO-WCQYABFASA-N 1 0 360.439 2.775 20 5 FFBDRO O=[N+]([O-])c1ccc2[nH]c(N3CC[NH+](CCc4ccccc4)CC3)nc2c1 ZINC000427983914 514365848 /nfs/dbraw/zinc/36/58/48/514365848.db2.gz MWZANAAIBDEZON-UHFFFAOYSA-N 1 0 351.410 2.836 20 5 FFBDRO Cc1c(NC(=O)[C@H](C)[N@H+](C)C[C@@H](O)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000433060745 514366142 /nfs/dbraw/zinc/36/61/42/514366142.db2.gz MSIIRQIFBFVNKQ-RDJZCZTQSA-N 1 0 371.437 2.766 20 5 FFBDRO Cc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc([C@H](C)[NH3+])cc2)cc1[N+](=O)[O-] ZINC000414951839 514372936 /nfs/dbraw/zinc/37/29/36/514372936.db2.gz QEVWPCWCKLKKOY-STQMWFEESA-N 1 0 370.409 2.739 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ccc(CNC[C@H]3C[NH2+]CCO3)o2)c(Cl)c1 ZINC000415090645 514438747 /nfs/dbraw/zinc/43/87/47/514438747.db2.gz AWPLDPRVJDGTSV-CYBMUJFWSA-N 1 0 351.790 2.586 20 5 FFBDRO Cc1c(-c2nc(C3([NH3+])CCCCC3)no2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000424341084 514458706 /nfs/dbraw/zinc/45/87/06/514458706.db2.gz IEWZLJXQMSWGQZ-UHFFFAOYSA-N 1 0 369.385 2.652 20 5 FFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CCN3CCc4ccccc43)C2)nc1 ZINC000428386151 514462970 /nfs/dbraw/zinc/46/29/70/514462970.db2.gz WQJKEKUMVKUYCO-MRXNPFEDSA-N 1 0 353.426 2.539 20 5 FFBDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000439255290 514514993 /nfs/dbraw/zinc/51/49/93/514514993.db2.gz GLMOHBAZBLSHQF-INIZCTEOSA-N 1 0 363.458 2.805 20 5 FFBDRO O=C(C[NH2+][C@@H](c1cccnc1)C1CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000445820379 514526633 /nfs/dbraw/zinc/52/66/33/514526633.db2.gz UNTRDPYVZUHADE-LJQANCHMSA-N 1 0 352.394 2.620 20 5 FFBDRO COC(=O)COc1ccc(C[N@H+](C)CCc2ccccc2O)cc1[N+](=O)[O-] ZINC000475086341 514552205 /nfs/dbraw/zinc/55/22/05/514552205.db2.gz HNZRQTAZKYIGFV-UHFFFAOYSA-N 1 0 374.393 2.527 20 5 FFBDRO O=C([C@H]1CC[N@@H+](C2CCCCC2)C1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000461412224 514604900 /nfs/dbraw/zinc/60/49/00/514604900.db2.gz ZQTVCCNURSXDHN-HNNXBMFYSA-N 1 0 373.453 2.970 20 5 FFBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]Cc1nc(-c2ccccn2)n[nH]1)C1CC1 ZINC000453375274 514613527 /nfs/dbraw/zinc/61/35/27/514613527.db2.gz WGJWJSZBKXXEIS-MRXNPFEDSA-N 1 0 364.409 2.886 20 5 FFBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C)C[C@@H](C)C1 ZINC000453427490 514632216 /nfs/dbraw/zinc/63/22/16/514632216.db2.gz PEOCDDLVCHOUNX-JJRVBVJISA-N 1 0 370.457 2.557 20 5 FFBDRO CCC[NH+]1CCC(CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2CC)CC1 ZINC000508031899 514643665 /nfs/dbraw/zinc/64/36/65/514643665.db2.gz VRIKPGPHMGJPSF-UHFFFAOYSA-N 1 0 369.487 2.558 20 5 FFBDRO CC[C@H](C)[NH+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC)CC1 ZINC000453465375 514657409 /nfs/dbraw/zinc/65/74/09/514657409.db2.gz JYUCEXVBRXOPEK-AWEZNQCLSA-N 1 0 358.446 2.794 20 5 FFBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000470963176 514696593 /nfs/dbraw/zinc/69/65/93/514696593.db2.gz ZCKDSQMQINCBIC-HNNXBMFYSA-N 1 0 371.441 2.809 20 5 FFBDRO COc1cc(C[N@H+](C)C[C@H](O)COCc2ccccc2)ccc1[N+](=O)[O-] ZINC000489102135 514710881 /nfs/dbraw/zinc/71/08/81/514710881.db2.gz HLAFONPKVSZNIQ-KRWDZBQOSA-N 1 0 360.410 2.613 20 5 FFBDRO Cc1cc(NC[C@@H](C)N2CC[NH+](C)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461783346 514736081 /nfs/dbraw/zinc/73/60/81/514736081.db2.gz DUWFZAHZATXXDT-GFCCVEGCSA-N 1 0 360.380 2.970 20 5 FFBDRO COc1cc(C[NH2+][C@H](CO)Cc2ccc(C)c(C)c2)c([N+](=O)[O-])cc1O ZINC000453632559 514740945 /nfs/dbraw/zinc/74/09/45/514740945.db2.gz PSRPXWNBTGTVJN-INIZCTEOSA-N 1 0 360.410 2.619 20 5 FFBDRO CC(C)[C@H]1CN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1C ZINC000489342762 514807084 /nfs/dbraw/zinc/80/70/84/514807084.db2.gz YJCFBZHKDRFSMR-MRXNPFEDSA-N 1 0 351.422 2.810 20 5 FFBDRO C[NH+](C)CCOC1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000498329038 514865795 /nfs/dbraw/zinc/86/57/95/514865795.db2.gz GNUBLAURVAZZJM-UHFFFAOYSA-N 1 0 361.398 2.524 20 5 FFBDRO CC[C@@H](NC(=O)NC[C@@]1([NH+](C)C)CCSC1)c1cccc([N+](=O)[O-])c1 ZINC000489503325 514873692 /nfs/dbraw/zinc/87/36/92/514873692.db2.gz XZQZQZHMWYSSIE-WBVHZDCISA-N 1 0 366.487 2.782 20 5 FFBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000467047268 514876502 /nfs/dbraw/zinc/87/65/02/514876502.db2.gz RKLRRIRYOIAUQV-ABAIWWIYSA-N 1 0 372.450 2.931 20 5 FFBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000467047273 514876653 /nfs/dbraw/zinc/87/66/53/514876653.db2.gz RKLRRIRYOIAUQV-XHDPSFHLSA-N 1 0 372.450 2.931 20 5 FFBDRO C[NH+](C)[C@@]1(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CCSC1 ZINC000480281343 514906843 /nfs/dbraw/zinc/90/68/43/514906843.db2.gz VWURYTYBRZUWGC-MRXNPFEDSA-N 1 0 365.480 2.977 20 5 FFBDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000498473896 514919489 /nfs/dbraw/zinc/91/94/89/514919489.db2.gz OKBYOVTWDLGGGI-ZDUSSCGKSA-N 1 0 368.865 2.774 20 5 FFBDRO CC[NH+](CC)[C@H](C)CNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000480369749 514934299 /nfs/dbraw/zinc/93/42/99/514934299.db2.gz VROXBQDBMVZSIS-CYBMUJFWSA-N 1 0 359.430 2.702 20 5 FFBDRO CC[N@@H+]1C[C@H](C)N(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C[C@H]1C ZINC000498555470 514963690 /nfs/dbraw/zinc/96/36/90/514963690.db2.gz QTCVJEMRQKOVCQ-CVEARBPZSA-N 1 0 374.485 2.752 20 5 FFBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000485348540 515004688 /nfs/dbraw/zinc/00/46/88/515004688.db2.gz LPGCGDDFLAVHEF-CHWSQXEVSA-N 1 0 367.471 2.546 20 5 FFBDRO C[C@H]1C[C@H]([NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC(C)(C)C1 ZINC000462367399 515016840 /nfs/dbraw/zinc/01/68/40/515016840.db2.gz LSYNQJGXAJEAET-KBPBESRZSA-N 1 0 369.487 2.678 20 5 FFBDRO COCC[N@@H+]1CCCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC1 ZINC000485416991 515031890 /nfs/dbraw/zinc/03/18/90/515031890.db2.gz LFZAGSGRBMIJML-UHFFFAOYSA-N 1 0 374.416 2.954 20 5 FFBDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000489946955 515043218 /nfs/dbraw/zinc/04/32/18/515043218.db2.gz RGJWHKVRAFUAGL-MPGHIAIKSA-N 1 0 360.458 2.509 20 5 FFBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H]2CCC[C@H]2OC(F)F)cccc1[N+](=O)[O-] ZINC000503515890 515063931 /nfs/dbraw/zinc/06/39/31/515063931.db2.gz ISAALOSVLUMTBX-ZKYQVNSYSA-N 1 0 357.357 2.980 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCCC[NH+]2CCC(C)CC2)c1C ZINC000480738851 515065837 /nfs/dbraw/zinc/06/58/37/515065837.db2.gz HWGWZOZQRIFKDB-UHFFFAOYSA-N 1 0 369.487 2.612 20 5 FFBDRO COc1cc(CN(C)[C@@H]2CCN(c3ccccc3)C2=O)ccc1[N+](=O)[O-] ZINC000490007711 515066483 /nfs/dbraw/zinc/06/64/83/515066483.db2.gz XUWNYXXSQNMBHJ-QGZVFWFLSA-N 1 0 355.394 2.841 20 5 FFBDRO COCC[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@H]1CCOC1 ZINC000490047437 515080016 /nfs/dbraw/zinc/08/00/16/515080016.db2.gz SWMOGSAKDCPIOR-INIZCTEOSA-N 1 0 361.398 2.530 20 5 FFBDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000485548179 515084529 /nfs/dbraw/zinc/08/45/29/515084529.db2.gz PEKKKLTUNPRUES-LBPRGKRZSA-N 1 0 355.385 2.796 20 5 FFBDRO CCC[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H](C)C(=O)Nc1ccccc1C ZINC000490063891 515087468 /nfs/dbraw/zinc/08/74/68/515087468.db2.gz OVYJHGJJQVLWER-HNNXBMFYSA-N 1 0 359.430 2.839 20 5 FFBDRO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])n2C)CC[N@H+](Cc2ccccc2)C1 ZINC000456325125 515095025 /nfs/dbraw/zinc/09/50/25/515095025.db2.gz FRQJSZKVBMMFDW-OAHLLOKOSA-N 1 0 356.426 2.527 20 5 FFBDRO CN(CC[NH+]1CCN(c2ccccc2)CC1)Cc1ccc([N+](=O)[O-])cc1F ZINC000490372608 515190904 /nfs/dbraw/zinc/19/09/04/515190904.db2.gz QPNCAQYOJBZHHQ-UHFFFAOYSA-N 1 0 372.444 2.988 20 5 FFBDRO Cc1ccc([C@@H](CNC(=O)COc2ccccc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000499134681 515213219 /nfs/dbraw/zinc/21/32/19/515213219.db2.gz ORBDOMDCGXZSNJ-QGZVFWFLSA-N 1 0 357.410 2.701 20 5 FFBDRO CC1CC[NH+](CCNc2cc(CN3CCOCC3)ccc2[N+](=O)[O-])CC1 ZINC000472351839 515240126 /nfs/dbraw/zinc/24/01/26/515240126.db2.gz UQTCOTKKLRKIOZ-UHFFFAOYSA-N 1 0 362.474 2.571 20 5 FFBDRO CC[C@H](C)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000456537535 515243736 /nfs/dbraw/zinc/24/37/36/515243736.db2.gz WNSXQTXHHUUMQJ-NSHDSACASA-N 1 0 357.357 2.753 20 5 FFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1c2c(nn1C)CCCC2 ZINC000462816898 515256651 /nfs/dbraw/zinc/25/66/51/515256651.db2.gz NAKDBBCQQUPEIU-CYBMUJFWSA-N 1 0 371.441 2.714 20 5 FFBDRO CCN(CCn1cc([N+](=O)[O-])cn1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000472440709 515271359 /nfs/dbraw/zinc/27/13/59/515271359.db2.gz RXUJBCSFGWFXKA-SJLPKXTDSA-N 1 0 357.458 2.949 20 5 FFBDRO CCOC(=O)CC(C)(C)[N@H+](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000490652305 515274167 /nfs/dbraw/zinc/27/41/67/515274167.db2.gz NPYBLHIPZWBLGR-UHFFFAOYSA-N 1 0 351.403 2.505 20 5 FFBDRO O=[N+]([O-])c1ccc2[nH]c(CN3CC[NH+](Cc4ccccc4)CC3)nc2c1 ZINC000509764979 515317323 /nfs/dbraw/zinc/31/73/23/515317323.db2.gz WFJZKAVWERQLMD-UHFFFAOYSA-N 1 0 351.410 2.789 20 5 FFBDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000472760870 515386420 /nfs/dbraw/zinc/38/64/20/515386420.db2.gz AYECCWBPMPNFFX-INIZCTEOSA-N 1 0 364.446 2.868 20 5 FFBDRO COc1cc(CN2CC[N@H+](C)CC[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000491152181 515387171 /nfs/dbraw/zinc/38/71/71/515387171.db2.gz YWFNRJFEOIURCU-LBPRGKRZSA-N 1 0 373.400 2.773 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(N(C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000491322046 515413770 /nfs/dbraw/zinc/41/37/70/515413770.db2.gz KHODGBBNKRQASE-FQEVSTJZSA-N 1 0 355.438 2.976 20 5 FFBDRO CNc1nc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000454372392 515438300 /nfs/dbraw/zinc/43/83/00/515438300.db2.gz ILOFORSZODPUCI-QGZVFWFLSA-N 1 0 369.425 2.598 20 5 FFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cccc(OCC(N)=O)c1 ZINC000468634863 515446406 /nfs/dbraw/zinc/44/64/06/515446406.db2.gz JFVXVHGSNOONRP-RIYZIHGNSA-N 1 0 355.394 2.652 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000463426785 515489632 /nfs/dbraw/zinc/48/96/32/515489632.db2.gz QIQJZROMALORFV-INIZCTEOSA-N 1 0 370.405 2.588 20 5 FFBDRO CCC(CC)(CNC(=O)c1cc([N+](=O)[O-])nn1C)[NH2+][C@H](C)c1ccccc1 ZINC000481894894 515502608 /nfs/dbraw/zinc/50/26/08/515502608.db2.gz PTCANKPQSCYYQE-CQSZACIVSA-N 1 0 373.457 2.968 20 5 FFBDRO CO[C@H](CC[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000468769755 515510976 /nfs/dbraw/zinc/51/09/76/515510976.db2.gz AOXRGINWOGFCTM-ZWNOBZJWSA-N 1 0 363.336 2.869 20 5 FFBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000486596291 515553290 /nfs/dbraw/zinc/55/32/90/515553290.db2.gz GEAWPUMKTVXPCL-GFCCVEGCSA-N 1 0 355.385 2.606 20 5 FFBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000486632036 515571349 /nfs/dbraw/zinc/57/13/49/515571349.db2.gz DESKSQXJJDOOPS-GFCCVEGCSA-N 1 0 355.385 2.510 20 5 FFBDRO CCCN(CC[NH+]1CCCCC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000510540884 515577671 /nfs/dbraw/zinc/57/76/71/515577671.db2.gz XDLSDUNUGUZITE-UHFFFAOYSA-N 1 0 369.487 2.790 20 5 FFBDRO CN(CC(=O)N1C[C@@H]([NH+](C)C)Cc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000463743436 515598560 /nfs/dbraw/zinc/59/85/60/515598560.db2.gz DLBSXWRRYOPIDD-INIZCTEOSA-N 1 0 368.437 2.551 20 5 FFBDRO COc1ccccc1CCC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000459509545 515604897 /nfs/dbraw/zinc/60/48/97/515604897.db2.gz MZMJVBQEULYLIN-UHFFFAOYSA-N 1 0 356.426 2.753 20 5 FFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457084512 515635135 /nfs/dbraw/zinc/63/51/35/515635135.db2.gz LLGZAJKWRLNKAO-UHFFFAOYSA-N 1 0 374.363 2.787 20 5 FFBDRO CCC[NH+]1CCC(CNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000500232436 515636595 /nfs/dbraw/zinc/63/65/95/515636595.db2.gz UBCMEUFWZQXTDD-UHFFFAOYSA-N 1 0 371.441 2.632 20 5 FFBDRO COc1cc(C[NH2+][C@H]2CCC[C@]2(C)CO)c([N+](=O)[O-])cc1OCC(F)F ZINC000493738907 515660180 /nfs/dbraw/zinc/66/01/80/515660180.db2.gz WECMUJQAOSHEQN-DOTOQJQBSA-N 1 0 374.384 2.888 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)CC[NH+](C(C)C)C(C)C ZINC000505835986 515691041 /nfs/dbraw/zinc/69/10/41/515691041.db2.gz ZYVUMSDPLKBKOX-UHFFFAOYSA-N 1 0 350.463 2.892 20 5 FFBDRO C[C@H]([NH2+][C@@H]1CCN(C(=O)COc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000510994293 515738817 /nfs/dbraw/zinc/73/88/17/515738817.db2.gz GGYAHZZZKZPPIV-DOTOQJQBSA-N 1 0 369.421 2.925 20 5 FFBDRO O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000487091152 515754729 /nfs/dbraw/zinc/75/47/29/515754729.db2.gz ZETOPVILTNXGLF-QGZVFWFLSA-N 1 0 353.422 2.889 20 5 FFBDRO O=C1c2ccccc2C(=O)N1CCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000478354729 515793006 /nfs/dbraw/zinc/79/30/06/515793006.db2.gz HOQZBAQDESVDTK-UHFFFAOYSA-N 1 0 371.368 2.900 20 5 FFBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000464358970 515794655 /nfs/dbraw/zinc/79/46/55/515794655.db2.gz WSBUGLRVWZSTFW-QGZVFWFLSA-N 1 0 370.453 2.930 20 5 FFBDRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1c(N)cccc1[N+](=O)[O-])[NH+](C)C ZINC000487438968 515860816 /nfs/dbraw/zinc/86/08/16/515860816.db2.gz JIODUNJWLINCEN-FZKQIMNGSA-N 1 0 356.426 2.907 20 5 FFBDRO CCCN(CC[NH+]1CCCC1)S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000511343904 515869608 /nfs/dbraw/zinc/86/96/08/515869608.db2.gz JNCHJPMDIOHVIX-UHFFFAOYSA-N 1 0 369.487 2.708 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000494679473 515919424 /nfs/dbraw/zinc/91/94/24/515919424.db2.gz FJLGEAISPKKKCE-KRWDZBQOSA-N 1 0 369.421 2.998 20 5 FFBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)Nc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)C[C@@H]21 ZINC000455097882 515957825 /nfs/dbraw/zinc/95/78/25/515957825.db2.gz KYCVLKOHGYQPIG-RNCFNFMXSA-N 1 0 358.320 2.781 20 5 FFBDRO CO[C@]1(C)C[C@H]([N@H+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1(C)C ZINC000464819722 515972583 /nfs/dbraw/zinc/97/25/83/515972583.db2.gz BXKBGIFLSRBZND-QFBILLFUSA-N 1 0 361.442 2.619 20 5 FFBDRO CC1(C)C[N@H+](CCOc2ccccc2[N+](=O)[O-])C[C@]2(CCCOC2)O1 ZINC000483358994 516048860 /nfs/dbraw/zinc/04/88/60/516048860.db2.gz RUFVTDIWRLKTDX-SFHVURJKSA-N 1 0 350.415 2.634 20 5 FFBDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000488087556 516111845 /nfs/dbraw/zinc/11/18/45/516111845.db2.gz WUEJIHGHSWHNLO-HUUCEWRRSA-N 1 0 371.441 2.773 20 5 FFBDRO CC(C)OCC[NH+]1CCC(Nc2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000488132776 516128731 /nfs/dbraw/zinc/12/87/31/516128731.db2.gz XKGALTVJQJMDPV-UHFFFAOYSA-N 1 0 358.442 2.866 20 5 FFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC000470203753 516171851 /nfs/dbraw/zinc/17/18/51/516171851.db2.gz FBKSNTAYBSCNBY-VDBIKXPHSA-N 1 0 371.359 2.999 20 5 FFBDRO C[NH+](C)[C@@H](CNC(=O)NCCc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000465527173 516180342 /nfs/dbraw/zinc/18/03/42/516180342.db2.gz HATBIXWYWPDWQB-SFHVURJKSA-N 1 0 362.474 2.947 20 5 FFBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(c2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000474774896 516190505 /nfs/dbraw/zinc/19/05/05/516190505.db2.gz KVPZQUGLGYJDER-LBPRGKRZSA-N 1 0 369.263 2.920 20 5 FFBDRO C[N@H+](CC(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1)[C@@H]1CCSC1 ZINC000501729342 516207055 /nfs/dbraw/zinc/20/70/55/516207055.db2.gz LEKPWNPLOLWQHR-ZBFHGGJFSA-N 1 0 367.496 2.606 20 5 FFBDRO C[C@H]([NH2+]C1(CNC(=O)c2cc([N+](=O)[O-])n[nH]2)CCCC1)c1ccccc1 ZINC000512256193 516214038 /nfs/dbraw/zinc/21/40/38/516214038.db2.gz AFIUDKADVDPGAC-ZDUSSCGKSA-N 1 0 357.414 2.711 20 5 FFBDRO C[N@H+](CCNC(=O)CSc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000507452760 516215356 /nfs/dbraw/zinc/21/53/56/516215356.db2.gz XBZUXSRKAWKGLH-UHFFFAOYSA-N 1 0 359.451 2.935 20 5 FFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000488475658 516234700 /nfs/dbraw/zinc/23/47/00/516234700.db2.gz JRGBBCHHLSPYIU-GDBMZVCRSA-N 1 0 356.426 2.574 20 5 FFBDRO CC[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1c1cnn(CC)c1)c1cccc([N+](=O)[O-])c1 ZINC000488494192 516239994 /nfs/dbraw/zinc/23/99/94/516239994.db2.gz VXGKIHYEXQSELX-SCTDSRPQSA-N 1 0 371.441 2.872 20 5 FFBDRO CCCN(CC[NH+](CC)CC)S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000460907873 516281701 /nfs/dbraw/zinc/28/17/01/516281701.db2.gz MPHGEIXIXHSVEW-UHFFFAOYSA-N 1 0 371.503 2.954 20 5 FFBDRO Cc1cc(OCC(=O)NCCCC[N@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000484147698 516305326 /nfs/dbraw/zinc/30/53/26/516305326.db2.gz QISFBYHKQOEYKN-HNNXBMFYSA-N 1 0 363.458 2.910 20 5 FFBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N1CC[NH+](C2CCCCC2)CC1 ZINC000535433188 516353526 /nfs/dbraw/zinc/35/35/26/516353526.db2.gz BSFRMLLMNMJTNC-UHFFFAOYSA-N 1 0 360.458 2.797 20 5 FFBDRO Cc1c(NC(=O)CC[N@@H+]2CC[C@@H](COC(F)F)C2)cccc1[N+](=O)[O-] ZINC000512817292 516371328 /nfs/dbraw/zinc/37/13/28/516371328.db2.gz LJLCXGUNLHQRIW-GFCCVEGCSA-N 1 0 357.357 2.793 20 5 FFBDRO Cc1ccc(NCCCNC(=O)CCN(C)c2cc[nH+]cc2)c([N+](=O)[O-])c1 ZINC000543712952 516384683 /nfs/dbraw/zinc/38/46/83/516384683.db2.gz GKRTWPGSGSSDOC-UHFFFAOYSA-N 1 0 371.441 2.743 20 5 FFBDRO C[C@@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C1(S(C)(=O)=O)CC1 ZINC000512865418 516392713 /nfs/dbraw/zinc/39/27/13/516392713.db2.gz SUPNDMWGBZDLAD-GFCCVEGCSA-N 1 0 364.423 2.910 20 5 FFBDRO COC(=O)c1cc(C)nc(N2CCC(C[N@H+](C)C(C)C)CC2)c1[N+](=O)[O-] ZINC000561126426 516396177 /nfs/dbraw/zinc/39/61/77/516396177.db2.gz AZNYAYSTSXBZQD-UHFFFAOYSA-N 1 0 364.446 2.641 20 5 FFBDRO CC(C)[N@H+](C)CC1CCN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000535731139 516474210 /nfs/dbraw/zinc/47/42/10/516474210.db2.gz CSXXQCVRFKGLHU-UHFFFAOYSA-N 1 0 369.487 2.555 20 5 FFBDRO CCCC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000523622364 516522933 /nfs/dbraw/zinc/52/29/33/516522933.db2.gz BLMJQBRIXWEUNS-OAHLLOKOSA-N 1 0 369.487 2.836 20 5 FFBDRO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)C1CCOCC1 ZINC000540522730 516599388 /nfs/dbraw/zinc/59/93/88/516599388.db2.gz WIFMGWGMUHSFBM-WFASDCNBSA-N 1 0 365.430 2.725 20 5 FFBDRO COc1ccccc1C[C@H](C)[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000544147271 516614121 /nfs/dbraw/zinc/61/41/21/516614121.db2.gz YSRSHCDXRVZLEY-DOTOQJQBSA-N 1 0 374.437 2.906 20 5 FFBDRO Cn1cc(C[NH2+]C[C@H](CO)Cc2ccco2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000540619961 516643022 /nfs/dbraw/zinc/64/30/22/516643022.db2.gz WCNVEBXFVOBUCZ-CQSZACIVSA-N 1 0 370.409 2.529 20 5 FFBDRO CCN(CC[NH+]1CCCCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000561548761 516644790 /nfs/dbraw/zinc/64/47/90/516644790.db2.gz KTCXDRMACZUHEZ-UHFFFAOYSA-N 1 0 373.450 2.621 20 5 FFBDRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000536169436 516662132 /nfs/dbraw/zinc/66/21/32/516662132.db2.gz MEHWUSCXZGQORR-OAHLLOKOSA-N 1 0 370.453 2.809 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)NC[C@H](C)[NH+]2CCCC2)cc1SC ZINC000524192865 516665812 /nfs/dbraw/zinc/66/58/12/516665812.db2.gz FYRHMWQEVMFRHT-NSHDSACASA-N 1 0 353.444 2.539 20 5 FFBDRO C[NH+](C)[C@@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)C1CCCCC1 ZINC000518776125 516768526 /nfs/dbraw/zinc/76/85/26/516768526.db2.gz DFAXJQQGVDPXLO-HNNXBMFYSA-N 1 0 363.414 2.564 20 5 FFBDRO O=C1C[C@H](C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CN1C1CC1 ZINC000518781502 516772581 /nfs/dbraw/zinc/77/25/81/516772581.db2.gz KJMMLGOXHXKLMX-GFCCVEGCSA-N 1 0 372.450 2.819 20 5 FFBDRO C[C@@H]1CC[C@]2(CC[N@@H+]([C@@H]3CC(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)C2)C1 ZINC000540977322 516812507 /nfs/dbraw/zinc/81/25/07/516812507.db2.gz HQKVGPVGTWTIJX-NRXGSXMXSA-N 1 0 357.410 2.739 20 5 FFBDRO C[C@H](CO)[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)C1CCCC1 ZINC000561887396 516816403 /nfs/dbraw/zinc/81/64/03/516816403.db2.gz WRPJBCOXDHTGMQ-CYBMUJFWSA-N 1 0 363.414 2.518 20 5 FFBDRO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000541014511 516831788 /nfs/dbraw/zinc/83/17/88/516831788.db2.gz SNBILQHBBHLWEM-NSHDSACASA-N 1 0 357.357 2.800 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC[C@H](C)C[NH+]2CCCCC2)c1 ZINC000544668425 516863316 /nfs/dbraw/zinc/86/33/16/516863316.db2.gz QJQVDKZTEKYZNU-AWEZNQCLSA-N 1 0 369.487 2.612 20 5 FFBDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1c1ccc2ncccc2c1[N+](=O)[O-] ZINC000555495235 516945331 /nfs/dbraw/zinc/94/53/31/516945331.db2.gz NSOXNCOHNCMXMZ-AWEZNQCLSA-N 1 0 356.426 2.833 20 5 FFBDRO Cc1c(-c2nc([C@@H]([NH3+])CC(C)C)no2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000514671755 516995838 /nfs/dbraw/zinc/99/58/38/516995838.db2.gz CWLXSTPFZXRICA-ZDUSSCGKSA-N 1 0 357.374 2.580 20 5 FFBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)C1 ZINC000519512551 517017988 /nfs/dbraw/zinc/01/79/88/517017988.db2.gz WASDLXFSMVWUSB-UONOGXRCSA-N 1 0 351.472 2.922 20 5 FFBDRO NC(=O)[C@H]1CCC[N@@H+]1CCCNc1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000514747416 517036570 /nfs/dbraw/zinc/03/65/70/517036570.db2.gz TVIJXDOCSIYOFS-LLVKDONJSA-N 1 0 361.229 2.653 20 5 FFBDRO O=C(C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])N[C@H]1CCOc2ccccc21 ZINC000519544331 517038994 /nfs/dbraw/zinc/03/89/94/517038994.db2.gz FMNUAQXXLWFYAD-IRXDYDNUSA-N 1 0 367.405 2.812 20 5 FFBDRO C[C@@H]([NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C1(S(C)(=O)=O)CC1 ZINC000552099804 517078701 /nfs/dbraw/zinc/07/87/01/517078701.db2.gz UNKCUPFJCCZPBM-IAQYHMDHSA-N 1 0 352.456 2.873 20 5 FFBDRO C[C@H](C(=O)N1CCN(Cc2cccc(O)c2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000555736784 517092933 /nfs/dbraw/zinc/09/29/33/517092933.db2.gz LVPGELWFRXIZKF-HNNXBMFYSA-N 1 0 369.421 2.748 20 5 FFBDRO Cc1ccc(C)c(S(=O)(=O)NCCCCC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000559139664 517095326 /nfs/dbraw/zinc/09/53/26/517095326.db2.gz ZSUPKFVKSANTCI-UHFFFAOYSA-N 1 0 369.487 2.756 20 5 FFBDRO O=C(NCCc1ccccc1[N+](=O)[O-])[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000548751549 517188663 /nfs/dbraw/zinc/18/86/63/517188663.db2.gz HRATVAVKIOCZMN-SFHVURJKSA-N 1 0 368.437 2.561 20 5 FFBDRO CC[C@H]([NH2+]Cc1cccc(OCC(=O)NC)c1)c1cccc([N+](=O)[O-])c1 ZINC000552325310 517198136 /nfs/dbraw/zinc/19/81/36/517198136.db2.gz RTKQPVRXTVFNAS-SFHVURJKSA-N 1 0 357.410 2.961 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@H]2C[C@@H]2c2ccccc2)cc1 ZINC000541760460 517202732 /nfs/dbraw/zinc/20/27/32/517202732.db2.gz NLCOBDHQZCYOEM-CRAIPNDOSA-N 1 0 360.435 2.762 20 5 FFBDRO CCC1(CNC(=O)c2cc([N+](=O)[O-])n[nH]2)CC[NH+](Cc2ccccc2)CC1 ZINC000552367483 517223897 /nfs/dbraw/zinc/22/38/97/517223897.db2.gz WDVFMZUQCKBTJL-UHFFFAOYSA-N 1 0 371.441 2.740 20 5 FFBDRO Cc1c(C[N@H+](C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)cnn1C ZINC000562608190 517231955 /nfs/dbraw/zinc/23/19/55/517231955.db2.gz QLAYHUUOZGTQRK-UHFFFAOYSA-N 1 0 355.398 2.966 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C[C@@H]1C ZINC000537618193 517263088 /nfs/dbraw/zinc/26/30/88/517263088.db2.gz PSLKXCJVJROUFU-DZGCQCFKSA-N 1 0 351.447 2.917 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C[C@H]1C ZINC000537618195 517263209 /nfs/dbraw/zinc/26/32/09/517263209.db2.gz PSLKXCJVJROUFU-UKRRQHHQSA-N 1 0 351.447 2.917 20 5 FFBDRO O=C(CN1CCCC[C@@H]1[C@@H]1CCC[NH2+]1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000520206406 517300239 /nfs/dbraw/zinc/30/02/39/517300239.db2.gz HJQOALMPZCNCDI-JKSUJKDBSA-N 1 0 366.849 2.793 20 5 FFBDRO CC(C)C[NH+]1CCN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CC1 ZINC000541941503 517303664 /nfs/dbraw/zinc/30/36/64/517303664.db2.gz ZHLDAPLKKOOIJH-UHFFFAOYSA-N 1 0 357.357 2.610 20 5 FFBDRO C[C@H]1C[C@@H](CCNC(=O)c2cc([N+](=O)[O-])cn2C)C[N@@H+]1Cc1ccccc1 ZINC000533114544 517303727 /nfs/dbraw/zinc/30/37/27/517303727.db2.gz YBEQVECVFSDZRX-DOTOQJQBSA-N 1 0 370.453 2.964 20 5 FFBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000541964598 517312856 /nfs/dbraw/zinc/31/28/56/517312856.db2.gz MQFXDLXZGDEANV-LLVKDONJSA-N 1 0 357.357 2.610 20 5 FFBDRO CC[N@H+](CCC1CCN(C(=O)c2ccc([N+](=O)[O-])n2C)CC1)CC1CC1 ZINC000537815982 517357830 /nfs/dbraw/zinc/35/78/30/517357830.db2.gz MDLQGIHMDVRDMT-UHFFFAOYSA-N 1 0 362.474 2.908 20 5 FFBDRO C[NH+](C)CCOc1cc(-c2noc(-c3ccc([N+](=O)[O-])cc3)n2)ccn1 ZINC000545783763 517364602 /nfs/dbraw/zinc/36/46/02/517364602.db2.gz ANFLXRMAVQWYSA-UHFFFAOYSA-N 1 0 355.354 2.647 20 5 FFBDRO Cc1nn(Cc2ccc(C(=O)NC(C)(C)CCC[NH3+])cc2)c(C)c1[N+](=O)[O-] ZINC000520396969 517379047 /nfs/dbraw/zinc/37/90/47/517379047.db2.gz WZPLYMLYMAQABW-UHFFFAOYSA-N 1 0 373.457 2.704 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000515524025 517393214 /nfs/dbraw/zinc/39/32/14/517393214.db2.gz UDRARHFPUDWUPH-KBPBESRZSA-N 1 0 369.487 2.550 20 5 FFBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H](O)COCc1cccs1 ZINC000549156543 517428747 /nfs/dbraw/zinc/42/87/47/517428747.db2.gz HUAJNMXFQUTXNV-INIZCTEOSA-N 1 0 350.440 2.708 20 5 FFBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCC([NH2+]CCOc2ccccc2)CC1 ZINC000562888750 517479233 /nfs/dbraw/zinc/47/92/33/517479233.db2.gz NLZKTLXZYFOXCA-UHFFFAOYSA-N 1 0 373.457 2.757 20 5 FFBDRO CC[C@@H]([NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)C1CCOCC1 ZINC000538323677 517565032 /nfs/dbraw/zinc/56/50/32/517565032.db2.gz QWFMOSYGBNOTPW-OAHLLOKOSA-N 1 0 363.414 2.688 20 5 FFBDRO C[C@H](C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)Oc1ccc(F)cc1 ZINC000562993213 517567157 /nfs/dbraw/zinc/56/71/57/517567157.db2.gz AWAVUMZLMBWFEA-CZUORRHYSA-N 1 0 364.373 2.531 20 5 FFBDRO COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000538375512 517594136 /nfs/dbraw/zinc/59/41/36/517594136.db2.gz KJWSNAIMNWWPFT-KBXCAEBGSA-N 1 0 363.414 2.553 20 5 FFBDRO COc1ccc(OCCN2CC[N@H+](C)C[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000538378996 517595084 /nfs/dbraw/zinc/59/50/84/517595084.db2.gz PYKSHFZBBIKQOT-IBGZPJMESA-N 1 0 371.437 2.971 20 5 FFBDRO C[N@@H+]1CCC[C@H](CCNC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000563063687 517626616 /nfs/dbraw/zinc/62/66/16/517626616.db2.gz LVPXDDUZZAKHND-CQSZACIVSA-N 1 0 373.457 2.650 20 5 FFBDRO COC(=O)c1cc(C)nc(N2CC[NH+](CCC(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000553290951 517627456 /nfs/dbraw/zinc/62/74/56/517627456.db2.gz SMNLCRKPVBCMPS-UHFFFAOYSA-N 1 0 364.446 2.643 20 5 FFBDRO CN(C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1C[NH+]2CCC1CC2 ZINC000521157160 517631611 /nfs/dbraw/zinc/63/16/11/517631611.db2.gz NFAUMAZHRNJTHP-INIZCTEOSA-N 1 0 372.450 2.885 20 5 FFBDRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)c2cc(F)cc([N+](=O)[O-])c2)cc1 ZINC000560249321 517656441 /nfs/dbraw/zinc/65/64/41/517656441.db2.gz KUYNNABZTDAIBZ-QGZVFWFLSA-N 1 0 361.373 2.775 20 5 FFBDRO CC[NH+](CC)CCOCCNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000542676008 517683072 /nfs/dbraw/zinc/68/30/72/517683072.db2.gz GRKIEZXTYKQBBV-UHFFFAOYSA-N 1 0 365.455 2.898 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000542744739 517713683 /nfs/dbraw/zinc/71/36/83/517713683.db2.gz IETPOWHUPMYGRC-HIFRSBDPSA-N 1 0 369.487 2.562 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NCC[NH+](C(C)C)C(C)C)c1 ZINC000542749693 517715712 /nfs/dbraw/zinc/71/57/12/517715712.db2.gz OZYDYOLJPSXSJL-UHFFFAOYSA-N 1 0 357.476 2.609 20 5 FFBDRO C[C@@H]1C[C@@H](N(C)C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1C ZINC000546540140 517716583 /nfs/dbraw/zinc/71/65/83/517716583.db2.gz SRKHJYDXAPSIHT-OLZOCXBDSA-N 1 0 351.422 2.953 20 5 FFBDRO C[C@@H]1C[C@H](Nc2cccc(C(N)=O)c2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000553446419 517719736 /nfs/dbraw/zinc/71/97/36/517719736.db2.gz FQIIDKXWSVQGCJ-HIFRSBDPSA-N 1 0 354.410 2.769 20 5 FFBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000546550978 517722052 /nfs/dbraw/zinc/72/20/52/517722052.db2.gz NRSRNSILMMHLKG-ZDUSSCGKSA-N 1 0 351.422 2.860 20 5 FFBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@H]2CCC[C@H]2Oc2cc(F)cc(F)c2)c1 ZINC000556884681 517725773 /nfs/dbraw/zinc/72/57/73/517725773.db2.gz FHZVBQHTKXTZRG-JKSUJKDBSA-N 1 0 352.341 2.659 20 5 FFBDRO C[NH+](C)CCOc1cc(CNc2c(F)cc([N+](=O)[O-])cc2F)ccn1 ZINC000534244383 517802072 /nfs/dbraw/zinc/80/20/72/517802072.db2.gz WFDPQGJAAUVVMZ-UHFFFAOYSA-N 1 0 352.341 2.821 20 5 FFBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000534268730 517816895 /nfs/dbraw/zinc/81/68/95/517816895.db2.gz MYKKGPSSHGIMBC-CYBMUJFWSA-N 1 0 367.471 2.547 20 5 FFBDRO C[NH+](C)Cc1ccccc1NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000521714291 517837823 /nfs/dbraw/zinc/83/78/23/517837823.db2.gz RPYZQCGBCKBTPI-UHFFFAOYSA-N 1 0 371.393 2.609 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+]Cc2ccc(OC)cc2C)cc1[N+](=O)[O-] ZINC000530547203 517843305 /nfs/dbraw/zinc/84/33/05/517843305.db2.gz QPCRXHOZZQANMO-UHFFFAOYSA-N 1 0 374.393 2.753 20 5 FFBDRO Cn1ccnc1[C@@H](NC[C@H](O)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000560528912 517875307 /nfs/dbraw/zinc/87/53/07/517875307.db2.gz RUUHXWRGGFUDKH-ROUUACIJSA-N 1 0 358.442 2.949 20 5 FFBDRO COc1cc(CN2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c([N+](=O)[O-])cc1OC(F)F ZINC000521874739 517882129 /nfs/dbraw/zinc/88/21/29/517882129.db2.gz CNFVDSZWJQOFIN-UHTWSYAYSA-N 1 0 371.384 2.764 20 5 FFBDRO COc1cc(C(=O)N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)cc([N+](=O)[O-])c1C ZINC000553768748 517893097 /nfs/dbraw/zinc/89/30/97/517893097.db2.gz SZTYJEMKCCNRTC-XJKCOSOUSA-N 1 0 361.442 2.714 20 5 FFBDRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000557165742 517894675 /nfs/dbraw/zinc/89/46/75/517894675.db2.gz UWBYOWAOJVOHGT-UHFFFAOYSA-N 1 0 361.398 2.547 20 5 FFBDRO CCCc1n[nH]c(C(=O)N[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)c1[N+](=O)[O-] ZINC000521907693 517895376 /nfs/dbraw/zinc/89/53/76/517895376.db2.gz LJDGYDGQGLYNHH-UKRRQHHQSA-N 1 0 371.441 2.836 20 5 FFBDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000553785596 517903926 /nfs/dbraw/zinc/90/39/26/517903926.db2.gz GXIBDXRTQQWTOC-DEYYWGMASA-N 1 0 372.469 2.971 20 5 FFBDRO NC(=O)[C@H](Cc1ccc(F)cc1)[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000543163771 517940655 /nfs/dbraw/zinc/94/06/55/517940655.db2.gz PCFOGBKIKIAZCL-SFHVURJKSA-N 1 0 359.401 2.743 20 5 FFBDRO C[C@H]1COCC[N@@H+]1C1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000522010338 517948248 /nfs/dbraw/zinc/94/82/48/517948248.db2.gz AGEFAQOIWYMNLW-ZDUSSCGKSA-N 1 0 353.850 2.933 20 5 FFBDRO CCN(CC[NH+]1CCCCCC1)S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000553913456 517968641 /nfs/dbraw/zinc/96/86/41/517968641.db2.gz CWALYPGRRNVLGV-UHFFFAOYSA-N 1 0 369.487 2.790 20 5 FFBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000522091400 517981381 /nfs/dbraw/zinc/98/13/81/517981381.db2.gz BJUZBDKASQMFOH-ZDUSSCGKSA-N 1 0 362.455 2.637 20 5 FFBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000534722126 518012663 /nfs/dbraw/zinc/01/26/63/518012663.db2.gz OYRNAOGJJXENFK-KRWDZBQOSA-N 1 0 360.458 2.511 20 5 FFBDRO CS[C@@H]1CN(C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)C[C@H]1[NH+](C)C ZINC000534827658 518047308 /nfs/dbraw/zinc/04/73/08/518047308.db2.gz GEEJJVZARFTBFM-NILFDRSVSA-N 1 0 369.512 2.579 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N(CC[NH+](C)C)CC(C)C)c1 ZINC000539513590 518084034 /nfs/dbraw/zinc/08/40/34/518084034.db2.gz PQJOXCBJTRAKEA-UHFFFAOYSA-N 1 0 351.447 2.718 20 5 FFBDRO Cc1cc(OCC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000563717709 518087649 /nfs/dbraw/zinc/08/76/49/518087649.db2.gz XHYUZDRZMLEIEG-SFHVURJKSA-N 1 0 357.410 2.701 20 5 FFBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000522364766 518088301 /nfs/dbraw/zinc/08/83/01/518088301.db2.gz BJLIFOBMXLCTDQ-DYVFJYSZSA-N 1 0 367.421 2.601 20 5 FFBDRO CC[NH+](CC)[C@H](CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000522482653 518117627 /nfs/dbraw/zinc/11/76/27/518117627.db2.gz ZXZLVTHFIJLKTI-QGZVFWFLSA-N 1 0 373.457 2.726 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CC[C@H](c3cccc(Cl)c3)C2)c1 ZINC000563952754 518244675 /nfs/dbraw/zinc/24/46/75/518244675.db2.gz RZVLLMYAXSQCIX-YSVLISHTSA-N 1 0 364.833 2.732 20 5 FFBDRO COc1cc(C(=O)N[C@@H](CCC[NH3+])c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000566895448 518251521 /nfs/dbraw/zinc/25/15/21/518251521.db2.gz GWVLKRXSTZWIAE-HNNXBMFYSA-N 1 0 373.409 2.822 20 5 FFBDRO Cc1[nH+]c2cc(NC[C@@H](O)COc3ccccc3[N+](=O)[O-])ccc2n1C ZINC000575742452 518259364 /nfs/dbraw/zinc/25/93/64/518259364.db2.gz GQJKLFBXUKCLCC-CQSZACIVSA-N 1 0 356.382 2.642 20 5 FFBDRO Cc1n[nH]c(C(=O)NC[C@@H](c2ccc(CC(C)C)cc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000564029836 518274642 /nfs/dbraw/zinc/27/46/42/518274642.db2.gz PRKILFJVAYJIGO-INIZCTEOSA-N 1 0 373.457 2.858 20 5 FFBDRO CCc1ccc([C@H]2C[NH2+]CCN2C(=O)c2cccc(OC)c2[N+](=O)[O-])cc1 ZINC000575797031 518284654 /nfs/dbraw/zinc/28/46/54/518284654.db2.gz WUIPYNWBCXQPRH-QGZVFWFLSA-N 1 0 369.421 2.953 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@@H](CO)c3cccnc3)cs2)c1 ZINC000564116881 518312605 /nfs/dbraw/zinc/31/26/05/518312605.db2.gz NQYYOZPMVXHOPA-HNNXBMFYSA-N 1 0 370.434 2.979 20 5 FFBDRO O=[N+]([O-])c1cc2c(nc1N1CCC(CC[NH+]3CCOCC3)CC1)CCCC2 ZINC000567045041 518325831 /nfs/dbraw/zinc/32/58/31/518325831.db2.gz WAYBIXKKSXUGGK-UHFFFAOYSA-N 1 0 374.485 2.807 20 5 FFBDRO Cc1ncc2c(n1)CC[C@H]([NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)C2 ZINC000578721019 518341790 /nfs/dbraw/zinc/34/17/90/518341790.db2.gz IMLXBGPXODMNHZ-BHYGNILZSA-N 1 0 356.430 2.521 20 5 FFBDRO Cc1ccc(F)c(CC[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000567104281 518354469 /nfs/dbraw/zinc/35/44/69/518354469.db2.gz JQKRMVPAHPRQPS-UHFFFAOYSA-N 1 0 366.414 2.648 20 5 FFBDRO CC(C)[C@@H](CNc1nc2c(cc1[N+](=O)[O-])CCCC2)[NH+]1CCN(C)CC1 ZINC000569922220 518357704 /nfs/dbraw/zinc/35/77/04/518357704.db2.gz CEWXOFDMGOQJRY-GOSISDBHSA-N 1 0 361.490 2.553 20 5 FFBDRO COc1ccc(OCCN2CC[N@H+](C)C3(CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000564223482 518359282 /nfs/dbraw/zinc/35/92/82/518359282.db2.gz NHVZNWLDMGGWAQ-UHFFFAOYSA-N 1 0 363.458 2.933 20 5 FFBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[N@H+](C)C2(CCCCC2)C1 ZINC000578784646 518371609 /nfs/dbraw/zinc/37/16/09/518371609.db2.gz QTRNDRJKSYNSCC-HNNXBMFYSA-N 1 0 360.458 2.872 20 5 FFBDRO Cc1cccc(O[C@@H](C)C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000575981314 518371948 /nfs/dbraw/zinc/37/19/48/518371948.db2.gz GJJNSDFJMJQMTG-DOTOQJQBSA-N 1 0 360.410 2.700 20 5 FFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000572869308 518400703 /nfs/dbraw/zinc/40/07/03/518400703.db2.gz KDORIRHSYFCKSU-DGCLKSJQSA-N 1 0 372.450 2.925 20 5 FFBDRO CSc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])n2C)[NH+](C)C)cc1 ZINC000572876975 518404390 /nfs/dbraw/zinc/40/43/90/518404390.db2.gz GOCXCRQVXQOOIB-OAHLLOKOSA-N 1 0 362.455 2.688 20 5 FFBDRO O=C(CC[NH2+]C[C@@]1(CO)C[C@@H]1c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000581726267 518427436 /nfs/dbraw/zinc/42/74/36/518427436.db2.gz GAZGPVOXJRIPDG-OXQOHEQNSA-N 1 0 369.421 2.679 20 5 FFBDRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000572952296 518435708 /nfs/dbraw/zinc/43/57/08/518435708.db2.gz CNPGORCFVCBFIE-HFAKWTLXSA-N 1 0 360.439 2.835 20 5 FFBDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)c1cc(F)cc2c1[nH]c1ccc(F)cc1c2=O ZINC000572999699 518458766 /nfs/dbraw/zinc/45/87/66/518458766.db2.gz SPOLEDZXGWJBHH-WDEREUQCSA-N 1 0 371.387 2.769 20 5 FFBDRO C[C@@H]1CCCC[C@@H]1CN(CC[NH3+])c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000564500878 518476689 /nfs/dbraw/zinc/47/66/89/518476689.db2.gz WSZYMYLDKZLNFO-ZIAGYGMSSA-N 1 0 369.487 2.590 20 5 FFBDRO CC1(C)C(=O)N[C@H]1C1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000582070774 518575959 /nfs/dbraw/zinc/57/59/59/518575959.db2.gz XFUJSKZAVZUYOX-HNNXBMFYSA-N 1 0 353.369 2.610 20 5 FFBDRO COc1ncccc1CC[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000579291972 518610562 /nfs/dbraw/zinc/61/05/62/518610562.db2.gz QFDBWQWNGWZEQX-ZDUSSCGKSA-N 1 0 358.398 2.548 20 5 FFBDRO [NH3+]CCCN(CC1CCCC1)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000579332066 518630676 /nfs/dbraw/zinc/63/06/76/518630676.db2.gz OESCJKPTGUYLJK-UHFFFAOYSA-N 1 0 364.446 2.524 20 5 FFBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1OCC[NH+](C)C ZINC000582213668 518639649 /nfs/dbraw/zinc/63/96/49/518639649.db2.gz VKQHHKZQHIRGJM-UHFFFAOYSA-N 1 0 372.425 2.507 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](O)COc1ccccc1Cl ZINC000564843846 518646557 /nfs/dbraw/zinc/64/65/57/518646557.db2.gz FYZANRCFZFROCG-CQSZACIVSA-N 1 0 366.801 2.786 20 5 FFBDRO COc1ccc(CC[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])cc1F ZINC000564845649 518647788 /nfs/dbraw/zinc/64/77/88/518647788.db2.gz VJUYFMLEDFQNLS-UHFFFAOYSA-N 1 0 361.373 2.903 20 5 FFBDRO C[C@H](C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)Oc1cccc(F)c1 ZINC000564854395 518655069 /nfs/dbraw/zinc/65/50/69/518655069.db2.gz LYZRRUYUSOORAK-CJNGLKHVSA-N 1 0 364.373 2.531 20 5 FFBDRO C[C@H](C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)Oc1cccc(F)c1 ZINC000564854396 518655189 /nfs/dbraw/zinc/65/51/89/518655189.db2.gz LYZRRUYUSOORAK-CZUORRHYSA-N 1 0 364.373 2.531 20 5 FFBDRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)c2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000586842760 518662029 /nfs/dbraw/zinc/66/20/29/518662029.db2.gz ZBKZVSXEDWBNEN-QGZVFWFLSA-N 1 0 373.409 2.645 20 5 FFBDRO CC[NH+](CC)CCC[C@@H](C)Nc1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C ZINC000586944705 518673932 /nfs/dbraw/zinc/67/39/32/518673932.db2.gz MNIQYGXLLKOEGD-CYBMUJFWSA-N 1 0 363.462 2.708 20 5 FFBDRO CCC[N@@H+]1CC[C@H](CNC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000567784737 518708618 /nfs/dbraw/zinc/70/86/18/518708618.db2.gz UKKUHKSPXNMLFO-CQSZACIVSA-N 1 0 373.457 2.650 20 5 FFBDRO C[N@@H+]1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)C[C@@H]1Cc1ccccc1 ZINC000588053402 518711300 /nfs/dbraw/zinc/71/13/00/518711300.db2.gz KTLHEJXOGFLYCJ-KRWDZBQOSA-N 1 0 363.421 2.901 20 5 FFBDRO [NH3+]CCC1CCN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000573570382 518732430 /nfs/dbraw/zinc/73/24/30/518732430.db2.gz DIVAWRXGHDVKCY-UHFFFAOYSA-N 1 0 374.363 2.884 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)c1 ZINC000570710685 518742702 /nfs/dbraw/zinc/74/27/02/518742702.db2.gz HADPRJAONUYUPC-NMLACTOBSA-N 1 0 354.406 2.510 20 5 FFBDRO O=C(CC[NH2+][C@H]1COc2ccc(F)cc2C1)Nc1ccccc1[N+](=O)[O-] ZINC000570711408 518742787 /nfs/dbraw/zinc/74/27/87/518742787.db2.gz ODPOSIANENMYQO-CQSZACIVSA-N 1 0 359.357 2.656 20 5 FFBDRO O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000579608257 518764073 /nfs/dbraw/zinc/76/40/73/518764073.db2.gz MZXNEGPIINCPLX-KRWDZBQOSA-N 1 0 368.437 2.645 20 5 FFBDRO C[C@H]1[C@@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000588771274 518826510 /nfs/dbraw/zinc/82/65/10/518826510.db2.gz QSRVJIABOBWDMP-KXBFYZLASA-N 1 0 353.422 2.917 20 5 FFBDRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CCCOc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000588979281 518886681 /nfs/dbraw/zinc/88/66/81/518886681.db2.gz JHIXLBWARJNYAN-ZYSHUDEJSA-N 1 0 361.442 2.600 20 5 FFBDRO CN1CC[C@@H]([NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1 ZINC000589267646 518968952 /nfs/dbraw/zinc/96/89/52/518968952.db2.gz CMDHYZBUXSCCDU-UYAOXDASSA-N 1 0 368.437 2.958 20 5 FFBDRO C[C@H]([NH2+][C@@H]1CCN(C)[C@H]1c1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000574061729 518970860 /nfs/dbraw/zinc/97/08/60/518970860.db2.gz CMDPTIREVVXOPK-KYNGSXCRSA-N 1 0 368.437 2.957 20 5 FFBDRO COC(=O)c1cc(C)nc(N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000582919209 518986885 /nfs/dbraw/zinc/98/68/85/518986885.db2.gz WJQOCVUZBJKSHE-OAHLLOKOSA-N 1 0 370.409 2.771 20 5 FFBDRO COc1ccc(CC[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000580064249 518989744 /nfs/dbraw/zinc/98/97/44/518989744.db2.gz RROJXXUWOYSKMV-UHFFFAOYSA-N 1 0 373.409 2.773 20 5 FFBDRO [NH3+]CC[C@H]1CCCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000565593598 519034869 /nfs/dbraw/zinc/03/48/69/519034869.db2.gz PMUAUMVYHJYSPN-GFCCVEGCSA-N 1 0 370.247 2.630 20 5 FFBDRO COC(=O)c1cccc(C[NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000571328631 519041152 /nfs/dbraw/zinc/04/11/52/519041152.db2.gz OYZDQQUIGOBXQZ-ZDUSSCGKSA-N 1 0 371.393 2.888 20 5 FFBDRO CCc1ccc(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000577389890 519057337 /nfs/dbraw/zinc/05/73/37/519057337.db2.gz BXWSELGHVYGDNJ-XJKSGUPXSA-N 1 0 369.487 2.508 20 5 FFBDRO Cc1cc(N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000590134935 519158552 /nfs/dbraw/zinc/15/85/52/519158552.db2.gz HLLVBLUIRYRNTL-CJNGLKHVSA-N 1 0 373.375 2.957 20 5 FFBDRO Cc1cc(N2CC[N@H+](CCO)C(C)(C)C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000590138735 519159788 /nfs/dbraw/zinc/15/97/88/519159788.db2.gz YRAFZTPOLVOWBN-UHFFFAOYSA-N 1 0 361.364 2.815 20 5 FFBDRO Cc1cc(N2CC[NH+](C(C)(C)CO)CC2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000590135743 519160364 /nfs/dbraw/zinc/16/03/64/519160364.db2.gz NLPOVUSYMCCALR-UHFFFAOYSA-N 1 0 361.364 2.815 20 5 FFBDRO [NH3+]C[C@@H]1CN(C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)CCO1 ZINC000571574898 519162582 /nfs/dbraw/zinc/16/25/82/519162582.db2.gz GCOJCMRJEGVIHN-OAHLLOKOSA-N 1 0 373.434 2.546 20 5 FFBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000590158192 519164016 /nfs/dbraw/zinc/16/40/16/519164016.db2.gz FTMVXKVELBDBID-GHMZBOCLSA-N 1 0 357.332 2.970 20 5 FFBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c1 ZINC000590158593 519165057 /nfs/dbraw/zinc/16/50/57/519165057.db2.gz SUXHAQBKHKSYMI-JKSUJKDBSA-N 1 0 373.375 2.645 20 5 FFBDRO C[C@@H](O)C[N@@H+]1CCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)[C@H](C)C1 ZINC000590174902 519169093 /nfs/dbraw/zinc/16/90/93/519169093.db2.gz DFXCIZNUWNMRSN-VXGBXAGGSA-N 1 0 361.364 2.501 20 5 FFBDRO [NH3+]C[C@H]1c2ccccc2CCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000580446137 519182094 /nfs/dbraw/zinc/18/20/94/519182094.db2.gz WTHZMFBHAOIUQV-KRWDZBQOSA-N 1 0 374.828 2.745 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCC3(C2)CC[NH+](C)CC3)c1 ZINC000590547851 519260984 /nfs/dbraw/zinc/26/09/84/519260984.db2.gz IYILFZBCIOVWPH-UHFFFAOYSA-N 1 0 361.442 2.616 20 5 FFBDRO CSCc1cccc(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000568873917 519262320 /nfs/dbraw/zinc/26/23/20/519262320.db2.gz PCJHKCMDGHNPBL-QGZVFWFLSA-N 1 0 362.451 2.987 20 5 FFBDRO CN(CC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000583494858 519278439 /nfs/dbraw/zinc/27/84/39/519278439.db2.gz HVDZLPFYOHIQIG-UHFFFAOYSA-N 1 0 374.416 2.784 20 5 FFBDRO CC(C)[C@@H](C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1cccnc1 ZINC000583559546 519309925 /nfs/dbraw/zinc/30/99/25/519309925.db2.gz AOPLWYHMXOQMKF-IAGOWNOFSA-N 1 0 359.426 2.759 20 5 FFBDRO O=[N+]([O-])c1ccc(OCC[NH2+]C[C@H](O)COc2ccccc2Cl)cc1 ZINC000566116308 519311533 /nfs/dbraw/zinc/31/15/33/519311533.db2.gz JWUSITITZVXYRB-AWEZNQCLSA-N 1 0 366.801 2.657 20 5 FFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000572056758 519420596 /nfs/dbraw/zinc/42/05/96/519420596.db2.gz ZUNHPEZXHJRWBZ-MBNYWOFBSA-N 1 0 366.849 2.744 20 5 FFBDRO Cc1c(CNC(=O)CC2([NH+]3CCOCC3)CCCC2)cccc1[N+](=O)[O-] ZINC000578125437 519430570 /nfs/dbraw/zinc/43/05/70/519430570.db2.gz KQSLWAJALPOFPT-UHFFFAOYSA-N 1 0 361.442 2.555 20 5 FFBDRO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000578127358 519432885 /nfs/dbraw/zinc/43/28/85/519432885.db2.gz PNNYREOOFGHQQK-OAHLLOKOSA-N 1 0 368.231 2.573 20 5 FFBDRO C[C@H]1COCC[N@@H+]1C1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000578140332 519439730 /nfs/dbraw/zinc/43/97/30/519439730.db2.gz GMSIUVSJVQFFAU-ZDUSSCGKSA-N 1 0 353.850 2.933 20 5 FFBDRO C[C@H](C[N@H+](C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C(=O)OC(C)(C)C ZINC000590972806 519465534 /nfs/dbraw/zinc/46/55/34/519465534.db2.gz WBHUSBFEOMQNEJ-GFCCVEGCSA-N 1 0 366.414 2.776 20 5 FFBDRO CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 ZINC000566552991 519548223 /nfs/dbraw/zinc/54/82/23/519548223.db2.gz CSQNHMYKLNCIPQ-AWEZNQCLSA-N 1 0 365.430 2.558 20 5 FFBDRO CC1(C)C[C@H]([NH2+]CC2CCS(=O)(=O)CC2)c2cc([N+](=O)[O-])ccc21 ZINC000572343202 519564767 /nfs/dbraw/zinc/56/47/67/519564767.db2.gz WKWPBIIEADKWNH-INIZCTEOSA-N 1 0 352.456 2.732 20 5 FFBDRO COc1c(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)cccc1[N+](=O)[O-] ZINC000581213266 519579315 /nfs/dbraw/zinc/57/93/15/519579315.db2.gz YBGNYAITGNVNLH-YOEHRIQHSA-N 1 0 369.421 2.996 20 5 FFBDRO COc1cc(C(=O)N(C)CCC[N@H+](C)Cc2ccncc2)ccc1[N+](=O)[O-] ZINC000575322811 519587833 /nfs/dbraw/zinc/58/78/33/519587833.db2.gz WAOWMZAGXJAWSP-UHFFFAOYSA-N 1 0 372.425 2.593 20 5 FFBDRO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000591359676 519608364 /nfs/dbraw/zinc/60/83/64/519608364.db2.gz JDMGEIMDMZBKJB-VPSFDDGASA-N 1 0 358.442 2.767 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@@H](C(=O)OC(C)(C)C)CC[C@H]1C ZINC000602848465 519924258 /nfs/dbraw/zinc/92/42/58/519924258.db2.gz VNCCRDVNUCOIGI-OCCSQVGLSA-N 1 0 352.435 2.542 20 5 FFBDRO COc1cc(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)cc([N+](=O)[O-])c1C ZINC000616316229 519976957 /nfs/dbraw/zinc/97/69/57/519976957.db2.gz KVDHXCHDFWFPAE-UHFFFAOYSA-N 1 0 353.338 2.745 20 5 FFBDRO CCC1([NH+]2CCCC2)CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000602951544 519989396 /nfs/dbraw/zinc/98/93/96/519989396.db2.gz TUXGDGLXFBGVCV-UHFFFAOYSA-N 1 0 360.458 2.874 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000594482975 519992729 /nfs/dbraw/zinc/99/27/29/519992729.db2.gz GSLZUZDGZIDMNJ-LSDHHAIUSA-N 1 0 367.471 2.507 20 5 FFBDRO CCOc1ccc([C@@H](C)NCc2nc([C@H]3CCCO3)n[nH]2)cc1[N+](=O)[O-] ZINC000594507548 520005845 /nfs/dbraw/zinc/00/58/45/520005845.db2.gz GYGOFISOPBSUBR-IAQYHMDHSA-N 1 0 361.402 2.814 20 5 FFBDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)c3c(Br)cccc3[N+](=O)[O-])[C@@H]2C1 ZINC000600038252 520011906 /nfs/dbraw/zinc/01/19/06/520011906.db2.gz ORRLJDMLHGXWIW-GXFFZTMASA-N 1 0 368.231 2.524 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](O)[C@@H]2CCCC[C@@H]21 ZINC000602997285 520013096 /nfs/dbraw/zinc/01/30/96/520013096.db2.gz HBIBDXLGRJJDST-NJAFHUGGSA-N 1 0 361.442 2.857 20 5 FFBDRO CC(C)(C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CCCCO1 ZINC000591753714 520022492 /nfs/dbraw/zinc/02/24/92/520022492.db2.gz GSNRPPSKWKEGBJ-DOTOQJQBSA-N 1 0 352.431 2.519 20 5 FFBDRO Cc1ccccc1CC1C[NH+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000612678085 520086232 /nfs/dbraw/zinc/08/62/32/520086232.db2.gz ZGCRHXYNBYTPNO-IBGZPJMESA-N 1 0 356.422 2.817 20 5 FFBDRO O=C(NCC12CCC[NH+]1CCC2)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000597587446 520121586 /nfs/dbraw/zinc/12/15/86/520121586.db2.gz UIYGUUDMFUKMJR-UHFFFAOYSA-N 1 0 357.332 2.972 20 5 FFBDRO C[N@@H+]1C[C@@H](CNc2ncnc3ccc([N+](=O)[O-])cc32)[C@H](c2ccccc2)C1 ZINC000591986554 520122441 /nfs/dbraw/zinc/12/24/41/520122441.db2.gz SAFTUOLQVUIZTJ-QAPCUYQASA-N 1 0 363.421 2.717 20 5 FFBDRO Cn1cc(C[N@@H+]2C[C@@H]3CCC[C@]3(CO)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000600207208 520124349 /nfs/dbraw/zinc/12/43/49/520124349.db2.gz KPXLFWMTECVICF-QFBILLFUSA-N 1 0 356.426 2.590 20 5 FFBDRO CC(C)[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000600252632 520159051 /nfs/dbraw/zinc/15/90/51/520159051.db2.gz KSLFAQJHVUYXLG-SFHVURJKSA-N 1 0 356.426 2.906 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000608905311 520159646 /nfs/dbraw/zinc/15/96/46/520159646.db2.gz BMFJPQXSVCICEV-TZMCWYRMSA-N 1 0 367.833 2.712 20 5 FFBDRO C[NH+](C)CC1CN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)C1 ZINC000597707277 520187878 /nfs/dbraw/zinc/18/78/78/520187878.db2.gz CBVXPHPCAGBCKB-UHFFFAOYSA-N 1 0 368.437 2.841 20 5 FFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000600311275 520197418 /nfs/dbraw/zinc/19/74/18/520197418.db2.gz ONCJQALHURYYPL-UONOGXRCSA-N 1 0 351.472 2.924 20 5 FFBDRO CCOc1cc(C(=O)NCC[N@H+](C)C2CCCC2)c([N+](=O)[O-])cc1OC ZINC000609190180 520224047 /nfs/dbraw/zinc/22/40/47/520224047.db2.gz PRAWDBVGFQAKIB-UHFFFAOYSA-N 1 0 365.430 2.606 20 5 FFBDRO COC[C@H](CC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)OC ZINC000594955279 520228419 /nfs/dbraw/zinc/22/84/19/520228419.db2.gz MLRJWXVKKUNLRG-HNNXBMFYSA-N 1 0 351.428 2.859 20 5 FFBDRO O=[N+]([O-])c1ccc(CNCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)c(F)c1 ZINC000594975859 520239053 /nfs/dbraw/zinc/23/90/53/520239053.db2.gz VZOQVDXGURLHRT-SFHVURJKSA-N 1 0 359.401 2.590 20 5 FFBDRO CN1CCN(Cc2ccccc2)[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000594993105 520246220 /nfs/dbraw/zinc/24/62/20/520246220.db2.gz BKXMMJCUIKBBKA-HXUWFJFHSA-N 1 0 354.454 2.501 20 5 FFBDRO C[C@H]1COCC[N@@H+]1C1CCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000603401269 520248144 /nfs/dbraw/zinc/24/81/44/520248144.db2.gz KTYFWYQRDRIMTQ-NSHDSACASA-N 1 0 374.363 2.698 20 5 FFBDRO C[C@@H]1COCC[N@@H+]1C1CCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000603401266 520248190 /nfs/dbraw/zinc/24/81/90/520248190.db2.gz KTYFWYQRDRIMTQ-LLVKDONJSA-N 1 0 374.363 2.698 20 5 FFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCOC2(CC[NH+](C)CC2)C1 ZINC000592181118 520249676 /nfs/dbraw/zinc/24/96/76/520249676.db2.gz CPFADCQIQJFCJM-UHFFFAOYSA-N 1 0 363.458 2.679 20 5 FFBDRO O=C1CCc2cc([N+](=O)[O-])c(NC3CC[NH+](C4CCOCC4)CC3)cc2N1 ZINC000603409456 520253350 /nfs/dbraw/zinc/25/33/50/520253350.db2.gz YDICVEPMEVKSQH-UHFFFAOYSA-N 1 0 374.441 2.535 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCCC[C@H]1N1CCOCC1 ZINC000595022685 520260481 /nfs/dbraw/zinc/26/04/81/520260481.db2.gz VBBOCMZCAMFIKB-BMGDILEWSA-N 1 0 363.458 2.897 20 5 FFBDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000609346758 520290158 /nfs/dbraw/zinc/29/01/58/520290158.db2.gz OROBMDCDUSDMPP-HUUCEWRRSA-N 1 0 358.442 2.929 20 5 FFBDRO O=C(COc1cccc([N+](=O)[O-])c1)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000603567785 520309649 /nfs/dbraw/zinc/30/96/49/520309649.db2.gz OHWAXJGQNDODJI-LJQANCHMSA-N 1 0 369.421 2.927 20 5 FFBDRO CC[NH2+]CCCNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000592289548 520319391 /nfs/dbraw/zinc/31/93/91/520319391.db2.gz OMYAXDCAOVCYMZ-UHFFFAOYSA-N 1 0 356.426 2.936 20 5 FFBDRO CC[N@@H+]1CCCN(C(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000609522433 520342670 /nfs/dbraw/zinc/34/26/70/520342670.db2.gz KYHHSACEENKCSA-LBPRGKRZSA-N 1 0 355.822 2.570 20 5 FFBDRO CCN(C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1CC[N@H+](C)C1 ZINC000597945588 520344187 /nfs/dbraw/zinc/34/41/87/520344187.db2.gz JCDDCGGZZKMXQX-AWEZNQCLSA-N 1 0 360.439 2.885 20 5 FFBDRO CCN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)[C@H]1CC[N@H+](C)C1 ZINC000597944994 520344842 /nfs/dbraw/zinc/34/48/42/520344842.db2.gz FZINUEJGPXUIFP-LBPRGKRZSA-N 1 0 356.220 2.524 20 5 FFBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000595223182 520358082 /nfs/dbraw/zinc/35/80/82/520358082.db2.gz QIODIYDSGXDPEG-OAHLLOKOSA-N 1 0 370.453 2.857 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](c3cccc(F)c3)[C@H]([NH3+])C2)c1 ZINC000595225706 520360344 /nfs/dbraw/zinc/36/03/44/520360344.db2.gz NMHAAJWTCJACPI-NVXWUHKLSA-N 1 0 373.384 2.700 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595228735 520361840 /nfs/dbraw/zinc/36/18/40/520361840.db2.gz JVQJRFYLVKFOIJ-AWEZNQCLSA-N 1 0 362.430 2.847 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)c1 ZINC000595256124 520375425 /nfs/dbraw/zinc/37/54/25/520375425.db2.gz BDHYSHWBSNEDOR-QGZVFWFLSA-N 1 0 357.366 2.517 20 5 FFBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595262013 520378867 /nfs/dbraw/zinc/37/88/67/520378867.db2.gz FTOOJSRPOYTSAR-KRWDZBQOSA-N 1 0 360.458 2.559 20 5 FFBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000595263694 520379102 /nfs/dbraw/zinc/37/91/02/520379102.db2.gz JPZOEYLKTPISJO-QZTJIDSGSA-N 1 0 354.410 2.540 20 5 FFBDRO CCN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)[C@@H]1CC[N@H+](CC)C1 ZINC000598042839 520390758 /nfs/dbraw/zinc/39/07/58/520390758.db2.gz YWLLCJAEDMOUEE-CYBMUJFWSA-N 1 0 370.247 2.914 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000609708638 520413046 /nfs/dbraw/zinc/41/30/46/520413046.db2.gz ISRYZRBCKSVVDA-HNNXBMFYSA-N 1 0 357.476 2.548 20 5 FFBDRO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C1CCCCC1 ZINC000603956608 520415185 /nfs/dbraw/zinc/41/51/85/520415185.db2.gz WYVUXJHJIXMCJM-OAHLLOKOSA-N 1 0 373.450 2.523 20 5 FFBDRO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000609758171 520422396 /nfs/dbraw/zinc/42/23/96/520422396.db2.gz NOUKHRXLUCVXKX-YOEHRIQHSA-N 1 0 356.426 2.635 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2[C@@H]3Cc4cc(Cl)ccc4[C@@H]32)c1 ZINC000600748038 520444392 /nfs/dbraw/zinc/44/43/92/520444392.db2.gz RZHXGBVYZYRVBE-DQEVTTJGSA-N 1 0 374.824 2.916 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000592568703 520457805 /nfs/dbraw/zinc/45/78/05/520457805.db2.gz NMEGZAMGEMYQFJ-YPMHNXCESA-N 1 0 367.833 2.806 20 5 FFBDRO COc1ccc(C[NH+]2CCC(c3nnc4n3CCC4)CC2)cc1[N+](=O)[O-] ZINC000604124369 520458375 /nfs/dbraw/zinc/45/83/75/520458375.db2.gz CPNPPSJYEOCQQW-UHFFFAOYSA-N 1 0 357.414 2.521 20 5 FFBDRO O=C(N[C@H]1CC[NH2+]C2(CCC2)C1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000592568315 520458506 /nfs/dbraw/zinc/45/85/06/520458506.db2.gz MMUNZXAKOXEFRE-NSHDSACASA-N 1 0 368.231 2.762 20 5 FFBDRO C[C@H](CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)C[NH+]1CCCCC1 ZINC000604185792 520473709 /nfs/dbraw/zinc/47/37/09/520473709.db2.gz OAKQQDRSLQEWJV-OAHLLOKOSA-N 1 0 371.441 2.632 20 5 FFBDRO C[C@@H](c1ccccc1)[C@H](CO)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000613389752 520479397 /nfs/dbraw/zinc/47/93/97/520479397.db2.gz PPTKJBUALVGLHM-KSSFIOAISA-N 1 0 357.410 2.678 20 5 FFBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)NCC1CC[NH+](CC2CC2)CC1 ZINC000595463636 520487229 /nfs/dbraw/zinc/48/72/29/520487229.db2.gz BGLIMHUYMDIGHC-UHFFFAOYSA-N 1 0 360.458 2.559 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000595471303 520492348 /nfs/dbraw/zinc/49/23/48/520492348.db2.gz ZBYGLEQHAINILF-INIZCTEOSA-N 1 0 353.850 2.935 20 5 FFBDRO COc1ccc(CC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000609977613 520494105 /nfs/dbraw/zinc/49/41/05/520494105.db2.gz YTVHJYRJMSPAMK-MRXNPFEDSA-N 1 0 361.442 2.623 20 5 FFBDRO O=C(NCc1cccc([N+](=O)[O-])c1)NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000595477835 520495994 /nfs/dbraw/zinc/49/59/94/520495994.db2.gz VQWVUSWVKNOVEL-SFHVURJKSA-N 1 0 354.410 2.669 20 5 FFBDRO CC(C)(C)OC(=O)CC1([NH2+]Cc2ccccc2[N+](=O)[O-])CCOCC1 ZINC000595549516 520545165 /nfs/dbraw/zinc/54/51/65/520545165.db2.gz HJEPDFMGNUQWGB-UHFFFAOYSA-N 1 0 350.415 2.965 20 5 FFBDRO CCC[N@@H+]1CC[C@H](NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000595585875 520570707 /nfs/dbraw/zinc/57/07/07/520570707.db2.gz SGHGPBJNNZCSNQ-AWEZNQCLSA-N 1 0 354.838 2.574 20 5 FFBDRO O=C(NCC1([NH+]2CCSCC2)CCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000600995283 520582518 /nfs/dbraw/zinc/58/25/18/520582518.db2.gz GKYLXWRVKAYETK-UHFFFAOYSA-N 1 0 367.446 2.825 20 5 FFBDRO O=C(NC1CC[NH+](Cc2ccncc2)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000601003406 520588436 /nfs/dbraw/zinc/58/84/36/520588436.db2.gz KEEOHEKZKDNYAR-UHFFFAOYSA-N 1 0 358.373 2.523 20 5 FFBDRO C[N@@H+]1C[C@@H](CNC(=O)CCc2cccc([N+](=O)[O-])c2)[C@H](c2ccccc2)C1 ZINC000592879665 520629397 /nfs/dbraw/zinc/62/93/97/520629397.db2.gz BGEDRFRNYVVEKF-QUCCMNQESA-N 1 0 367.449 2.989 20 5 FFBDRO Cc1cccc(C(=O)NC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000592879680 520629870 /nfs/dbraw/zinc/62/98/70/520629870.db2.gz BJPUNGTZQVLOEE-AEFFLSMTSA-N 1 0 353.422 2.978 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000592883090 520633001 /nfs/dbraw/zinc/63/30/01/520633001.db2.gz WBMZDHQEFFHGFQ-QAPCUYQASA-N 1 0 369.421 2.679 20 5 FFBDRO COc1ccc(C(=O)NC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000592883403 520633272 /nfs/dbraw/zinc/63/32/72/520633272.db2.gz ZOXRFPDXXXMKAC-SJORKVTESA-N 1 0 369.421 2.679 20 5 FFBDRO CCCC[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](C)c1ccc(C)o1 ZINC000610368243 520654927 /nfs/dbraw/zinc/65/49/27/520654927.db2.gz PYDQZVDCNOYKHN-GDBMZVCRSA-N 1 0 350.419 2.917 20 5 FFBDRO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000593012740 520684658 /nfs/dbraw/zinc/68/46/58/520684658.db2.gz YIGAHXAHLDCRKY-KRWDZBQOSA-N 1 0 357.385 2.667 20 5 FFBDRO C[N@H+](CCCNC(=O)Cc1ccc(F)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000593015039 520686064 /nfs/dbraw/zinc/68/60/64/520686064.db2.gz KUJXNTLMAQLLAM-UHFFFAOYSA-N 1 0 359.401 2.915 20 5 FFBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000598538528 520689198 /nfs/dbraw/zinc/68/91/98/520689198.db2.gz ASKTZOBEWWYVBM-CQSZACIVSA-N 1 0 369.849 2.739 20 5 FFBDRO O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000598560486 520705480 /nfs/dbraw/zinc/70/54/80/520705480.db2.gz MVOZLOQPKDDKIZ-AWEZNQCLSA-N 1 0 356.426 2.928 20 5 FFBDRO C[C@@H]1Cc2ccccc2N1C1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000610485004 520709594 /nfs/dbraw/zinc/70/95/94/520709594.db2.gz HOCRKWNGNDOIFX-OAHLLOKOSA-N 1 0 355.442 2.707 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+]2CCC([C@H]3CCCCO3)CC2)c1 ZINC000595785221 520721847 /nfs/dbraw/zinc/72/18/47/520721847.db2.gz CSYYINXGHKLDEV-IEBWSBKVSA-N 1 0 364.442 2.616 20 5 FFBDRO CC(C)[C@@H]1CN(C(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000598577823 520722073 /nfs/dbraw/zinc/72/20/73/520722073.db2.gz XZOHYKQLNRWBNM-RDJZCZTQSA-N 1 0 374.485 2.901 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000595790886 520727702 /nfs/dbraw/zinc/72/77/02/520727702.db2.gz ZJUCSCFRNMUJNU-NUJGCVRESA-N 1 0 364.442 2.616 20 5 FFBDRO NC(=O)c1ccc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)c([N+](=O)[O-])c1 ZINC000610550222 520736647 /nfs/dbraw/zinc/73/66/47/520736647.db2.gz XXDPHXHFCQAAIT-HNNXBMFYSA-N 1 0 360.458 2.786 20 5 FFBDRO COC(=O)c1ccnc(NC[C@H]2CCC[N@H+](CC(C)C)C2)c1[N+](=O)[O-] ZINC000598607144 520738764 /nfs/dbraw/zinc/73/87/64/520738764.db2.gz ODHBMLVVHNOWDI-CYBMUJFWSA-N 1 0 350.419 2.556 20 5 FFBDRO COC(=O)c1ccnc(NC[C@H]2CCC[N@@H+]2C2CCCCC2)c1[N+](=O)[O-] ZINC000598624200 520749246 /nfs/dbraw/zinc/74/92/46/520749246.db2.gz GCANYZPVDYJSOV-CQSZACIVSA-N 1 0 362.430 2.985 20 5 FFBDRO C[NH+](C)CCC[C@@H]1CN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CCO1 ZINC000595905817 520812213 /nfs/dbraw/zinc/81/22/13/520812213.db2.gz GOILXOJEQIMXQU-GOSISDBHSA-N 1 0 374.441 2.792 20 5 FFBDRO CC[N@H+](CCCNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000593250484 520856203 /nfs/dbraw/zinc/85/62/03/520856203.db2.gz OJISDLJXHWXFCM-UHFFFAOYSA-N 1 0 365.478 2.687 20 5 FFBDRO C[C@H]1CCCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)[C@@H]1CC[NH3+] ZINC000596015144 520860906 /nfs/dbraw/zinc/86/09/06/520860906.db2.gz YXAHNWQGQJXAIM-UONOGXRCSA-N 1 0 366.437 2.524 20 5 FFBDRO CCc1ccc([C@H](CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)[NH+](C)C)cc1 ZINC000596055633 520882210 /nfs/dbraw/zinc/88/22/10/520882210.db2.gz UATFEEGDNJIKIJ-SFHVURJKSA-N 1 0 356.426 2.971 20 5 FFBDRO C[C@H](CNc1ccc([N+](=O)[O-])c(C(N)=O)c1)[N@@H+]1CCc2sccc2C1 ZINC000596075317 520897325 /nfs/dbraw/zinc/89/73/25/520897325.db2.gz MFJGLNXXDBHSPH-LLVKDONJSA-N 1 0 360.439 2.614 20 5 FFBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000610914480 520902306 /nfs/dbraw/zinc/90/23/06/520902306.db2.gz YVQCNLGJWWLHFZ-CYBMUJFWSA-N 1 0 370.247 2.962 20 5 FFBDRO Cc1cc(N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)c([N+](=O)[O-])s1 ZINC000596097258 520909090 /nfs/dbraw/zinc/90/90/90/520909090.db2.gz DFFXGOJTQPFVOF-OKILXGFUSA-N 1 0 352.504 2.960 20 5 FFBDRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2C(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000598913260 520914153 /nfs/dbraw/zinc/91/41/53/520914153.db2.gz HAQFPKRDWUADOB-LYRGGWFBSA-N 1 0 366.393 2.627 20 5 FFBDRO Cc1ccc([C@@H](CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)[NH+]2CCCC2)o1 ZINC000596109800 520918383 /nfs/dbraw/zinc/91/83/83/520918383.db2.gz KEQUZDGFNGOMGB-MRXNPFEDSA-N 1 0 358.398 2.844 20 5 FFBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000598975447 520954410 /nfs/dbraw/zinc/95/44/10/520954410.db2.gz ILGUCCZAGAGZNC-SFHVURJKSA-N 1 0 360.458 2.844 20 5 FFBDRO COc1cc(C[NH2+]CC2COC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000599012224 520978700 /nfs/dbraw/zinc/97/87/00/520978700.db2.gz PEUJIUVICHOUHA-UHFFFAOYSA-N 1 0 358.394 2.918 20 5 FFBDRO COC(=O)c1cc(N2CC[C@@H](C3CC[NH+](C)CC3)C2)cc(C)c1[N+](=O)[O-] ZINC000611116285 520992547 /nfs/dbraw/zinc/99/25/47/520992547.db2.gz XVMQFONYGBLICQ-OAHLLOKOSA-N 1 0 361.442 2.858 20 5 FFBDRO CC(C)C[NH2+]C1(CO)CCN(c2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000596253705 520995856 /nfs/dbraw/zinc/99/58/56/520995856.db2.gz GLMPKIHLORFELI-UHFFFAOYSA-N 1 0 358.442 2.720 20 5 FFBDRO O=C(CNc1ccc2cnccc2c1[N+](=O)[O-])NCC[NH+]1CCCCCC1 ZINC000599079477 521019734 /nfs/dbraw/zinc/01/97/34/521019734.db2.gz GLCRENXVPOJKJU-UHFFFAOYSA-N 1 0 371.441 2.547 20 5 FFBDRO Cc1c([C@H](C)[NH2+]C[C@H]2CN(Cc3ccncc3)CCO2)cccc1[N+](=O)[O-] ZINC000599088308 521023687 /nfs/dbraw/zinc/02/36/87/521023687.db2.gz QCEHDAOHFJXAMJ-WMZOPIPTSA-N 1 0 370.453 2.850 20 5 FFBDRO COc1ccc(C[N@@H+]2CC[C@H]2CNc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000599140438 521050625 /nfs/dbraw/zinc/05/06/25/521050625.db2.gz SKWKESUXKHSPKS-HNNXBMFYSA-N 1 0 367.409 2.588 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(NC[C@@H]2CN(Cc3ccncc3)CCO2)c(F)c1 ZINC000599183376 521075961 /nfs/dbraw/zinc/07/59/61/521075961.db2.gz LEJJWHURWCTGBJ-CQSZACIVSA-N 1 0 364.352 2.581 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000618465957 521081328 /nfs/dbraw/zinc/08/13/28/521081328.db2.gz AVTHZJIKIBKGNU-INIZCTEOSA-N 1 0 361.442 2.620 20 5 FFBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000599203755 521085624 /nfs/dbraw/zinc/08/56/24/521085624.db2.gz POODYXFDEQOCSJ-KRWDZBQOSA-N 1 0 360.458 2.796 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC[N@H+](C[C@H]3CCCO3)CC2)cc1OC(F)F ZINC000611296515 521085857 /nfs/dbraw/zinc/08/58/57/521085857.db2.gz DWHMAXSQUOWSNV-CQSZACIVSA-N 1 0 371.384 2.887 20 5 FFBDRO O=[N+]([O-])c1ccc(NC2(C[NH+]3CCN(c4ccccc4)CC3)CC2)nc1 ZINC000596508191 521106943 /nfs/dbraw/zinc/10/69/43/521106943.db2.gz LIIODJWNOLMIKJ-UHFFFAOYSA-N 1 0 353.426 2.757 20 5 FFBDRO CCN(C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CC[N@H+](C)C1 ZINC000596546786 521125300 /nfs/dbraw/zinc/12/53/00/521125300.db2.gz UYNCYPLZYIGYQU-AWEZNQCLSA-N 1 0 354.838 2.526 20 5 FFBDRO CNC(=O)c1ccc(NC[C@H]2CC[N@@H+]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000596556877 521128771 /nfs/dbraw/zinc/12/87/71/521128771.db2.gz CGPYYTBXPMMMEB-MRXNPFEDSA-N 1 0 354.410 2.641 20 5 FFBDRO CNC(=O)c1ccc(NC[C@@H]2CC[N@@H+]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000596556876 521129020 /nfs/dbraw/zinc/12/90/20/521129020.db2.gz CGPYYTBXPMMMEB-INIZCTEOSA-N 1 0 354.410 2.641 20 5 FFBDRO [NH3+]CC1(CCNC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000593707827 521167920 /nfs/dbraw/zinc/16/79/20/521167920.db2.gz NDZMQUPKSNKGFY-UHFFFAOYSA-N 1 0 360.336 2.542 20 5 FFBDRO O=C(N[C@H]1C[C@@H]([NH+]2CCCC2)C1)c1c(Br)cccc1[N+](=O)[O-] ZINC000602167690 521182415 /nfs/dbraw/zinc/18/24/15/521182415.db2.gz RXVADIMRNXJOBU-PHIMTYICSA-N 1 0 368.231 2.714 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1C[C@@H]([NH+]2CCCC2)C1 ZINC000602174815 521188935 /nfs/dbraw/zinc/18/89/35/521188935.db2.gz VBNUNUGSLPKONX-BNOWGMLFSA-N 1 0 367.833 2.759 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)cc1C ZINC000599464731 521240209 /nfs/dbraw/zinc/24/02/09/521240209.db2.gz RNWRREOZKGGMCV-HNNXBMFYSA-N 1 0 367.471 2.507 20 5 FFBDRO CCn1cc(CN2CCCN(c3nc(C)cc(C)c3[N+](=O)[O-])CC2)cn1 ZINC000611616413 521250642 /nfs/dbraw/zinc/25/06/42/521250642.db2.gz MMNVBAXZRNRTRJ-UHFFFAOYSA-N 1 0 358.446 2.535 20 5 FFBDRO CN(CC[NH+]1CCCCC1)C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000593882853 521270811 /nfs/dbraw/zinc/27/08/11/521270811.db2.gz KDTLJSFUMKIXJF-UHFFFAOYSA-N 1 0 370.247 2.915 20 5 FFBDRO O=[N+]([O-])c1ccc(OCCC[NH2+][C@H](CO)c2c(F)cccc2F)cc1 ZINC000611681896 521276841 /nfs/dbraw/zinc/27/68/41/521276841.db2.gz RCRTVVMIIRPZCF-MRXNPFEDSA-N 1 0 352.337 2.965 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000593910660 521285333 /nfs/dbraw/zinc/28/53/33/521285333.db2.gz AQYDYARWWLWABZ-RLFYNMQTSA-N 1 0 361.442 2.570 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000593916289 521290406 /nfs/dbraw/zinc/29/04/06/521290406.db2.gz PJJWKDZJIFENKV-SGMGOOAPSA-N 1 0 369.849 2.991 20 5 FFBDRO CCc1ccc(C(=O)N2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cc1[N+](=O)[O-] ZINC000593919652 521293261 /nfs/dbraw/zinc/29/32/61/521293261.db2.gz WMAJWWNSSXKSRB-JZXOWHBKSA-N 1 0 361.442 2.658 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](c2ccncc2)C1 ZINC000593987389 521331565 /nfs/dbraw/zinc/33/15/65/521331565.db2.gz OWIDHWXYSDHKGX-OAHLLOKOSA-N 1 0 370.409 2.817 20 5 FFBDRO Cc1c(CNC(=O)Nc2ccc3c(c2)OCC[NH2+]C3)cccc1[N+](=O)[O-] ZINC000599623591 521339057 /nfs/dbraw/zinc/33/90/57/521339057.db2.gz GWYYSDRYIHSQHY-UHFFFAOYSA-N 1 0 356.382 2.707 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](CC(=O)OC(C)C)C(C)C ZINC000594038521 521367084 /nfs/dbraw/zinc/36/70/84/521367084.db2.gz BMSHFHDTAQZAMM-MRXNPFEDSA-N 1 0 365.430 2.798 20 5 FFBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599664459 521377164 /nfs/dbraw/zinc/37/71/64/521377164.db2.gz NVPYQZDHSCTMJX-BXKDBHETSA-N 1 0 368.231 2.570 20 5 FFBDRO C[C@@H]1C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC2(CCCCC2)O1 ZINC000594058299 521378610 /nfs/dbraw/zinc/37/86/10/521378610.db2.gz RLHPVRQWPFRBJT-WBVHZDCISA-N 1 0 364.442 2.758 20 5 FFBDRO O=C(Cc1cccc2c1CC[NH2+]C2)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000602499720 521382956 /nfs/dbraw/zinc/38/29/56/521382956.db2.gz LAGVAGKDPBHPMO-UHFFFAOYSA-N 1 0 365.433 2.974 20 5 FFBDRO C[C@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)N1CCC[C@@H](C)C1 ZINC000602514454 521388300 /nfs/dbraw/zinc/38/83/00/521388300.db2.gz JOFTZWNYYFOLOD-HZPDHXFCSA-N 1 0 361.490 2.669 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000602541834 521401814 /nfs/dbraw/zinc/40/18/14/521401814.db2.gz RCSNQEJLLGRFLX-DGCLKSJQSA-N 1 0 359.348 2.811 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000602541833 521402117 /nfs/dbraw/zinc/40/21/17/521402117.db2.gz RCSNQEJLLGRFLX-AAEUAGOBSA-N 1 0 359.348 2.811 20 5 FFBDRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000594106417 521406755 /nfs/dbraw/zinc/40/67/55/521406755.db2.gz VHOCFKACAHUGGS-WVSHTKLVSA-N 1 0 371.235 2.819 20 5 FFBDRO COC(=O)C1C[C@H](C)[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000599695338 521407107 /nfs/dbraw/zinc/40/71/07/521407107.db2.gz LLIWGTHXZWPBLP-STQMWFEESA-N 1 0 363.414 2.585 20 5 FFBDRO Cc1ccc2[nH]c(C[NH2+]C3CCN(c4ccc([N+](=O)[O-])nc4)CC3)nc2c1 ZINC000602558502 521412585 /nfs/dbraw/zinc/41/25/85/521412585.db2.gz BWJSAXALSRRRKB-UHFFFAOYSA-N 1 0 366.425 2.933 20 5 FFBDRO C[C@H](CO[C@@H]1CCOC1)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602572382 521417241 /nfs/dbraw/zinc/41/72/41/521417241.db2.gz YWJCCXMKEVJMBJ-RKDXNWHRSA-N 1 0 365.249 2.702 20 5 FFBDRO CCc1cc(N2CCC([NH2+]CCc3ccc([N+](=O)[O-])cc3)CC2)ncn1 ZINC000602573762 521417620 /nfs/dbraw/zinc/41/76/20/521417620.db2.gz UBVVHQGTJDXQJR-UHFFFAOYSA-N 1 0 355.442 2.748 20 5 FFBDRO CC(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602637936 521451398 /nfs/dbraw/zinc/45/13/98/521451398.db2.gz KOWPEXQDFOUZSM-LBPRGKRZSA-N 1 0 359.348 2.962 20 5 FFBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594195338 521461054 /nfs/dbraw/zinc/46/10/54/521461054.db2.gz FWGHRDIXEQXOAH-ZWKOTPCHSA-N 1 0 356.426 2.752 20 5 FFBDRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000594199234 521465310 /nfs/dbraw/zinc/46/53/10/521465310.db2.gz IGRAZEJQHLSKPD-QZTJIDSGSA-N 1 0 369.425 2.527 20 5 FFBDRO C[C@@H](Cc1cnn(C)c1)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602685105 521478774 /nfs/dbraw/zinc/47/87/74/521478774.db2.gz YKPBPSARJMQKMT-QMMMGPOBSA-N 1 0 359.249 2.873 20 5 FFBDRO CC(C)[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[C@@H](CO)C(C)C ZINC000602685890 521479549 /nfs/dbraw/zinc/47/95/49/521479549.db2.gz SQZXJVSDQUHAMK-PKOBYXMFSA-N 1 0 364.490 2.837 20 5 FFBDRO C[C@@H](O)[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccccc1F ZINC000602697828 521483240 /nfs/dbraw/zinc/48/32/40/521483240.db2.gz IVYYXQFGYSJPFQ-BFUOFWGJSA-N 1 0 374.416 2.809 20 5 FFBDRO C[NH+]1CCC(CCNC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)CC1 ZINC000599828996 521498549 /nfs/dbraw/zinc/49/85/49/521498549.db2.gz ALJLUVDPEIEVQG-UHFFFAOYSA-N 1 0 357.414 2.996 20 5 FFBDRO CC[NH+]1CCC(CNC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)CC1 ZINC000597094371 521499661 /nfs/dbraw/zinc/49/96/61/521499661.db2.gz GBHLOHGEKWYGHH-UHFFFAOYSA-N 1 0 355.826 2.684 20 5 FFBDRO Nc1c(NC(=O)NC2CC[NH+](C3CC3)CC2)cc(Cl)cc1[N+](=O)[O-] ZINC000597093686 521499856 /nfs/dbraw/zinc/49/98/56/521499856.db2.gz IGEPSFBVKGSVCV-UHFFFAOYSA-N 1 0 353.810 2.579 20 5 FFBDRO COC(=O)[C@@]1(C)C[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000602728695 521500236 /nfs/dbraw/zinc/50/02/36/521500236.db2.gz FVXJMILMBSRTKF-DJJJIMSYSA-N 1 0 372.425 2.626 20 5 FFBDRO Nc1c(NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)cc(Cl)cc1[N+](=O)[O-] ZINC000597095543 521500876 /nfs/dbraw/zinc/50/08/76/521500876.db2.gz YDDVPRNPQBOJSG-LBPRGKRZSA-N 1 0 367.837 2.923 20 5 FFBDRO CCC[N@@H+]1CC[C@H](CNC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)C1 ZINC000597095335 521501621 /nfs/dbraw/zinc/50/16/21/521501621.db2.gz SUUWQCYKAWPCFA-SNVBAGLBSA-N 1 0 355.826 2.684 20 5 FFBDRO C[C@@H](NC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N)C(C)(C)C[NH+](C)C ZINC000597105900 521510746 /nfs/dbraw/zinc/51/07/46/521510746.db2.gz ZJIWNUONADEYLN-SECBINFHSA-N 1 0 357.842 2.928 20 5 FFBDRO COc1cccc(C[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C[C@@H]2CCCO2)c1 ZINC000602762955 521520289 /nfs/dbraw/zinc/52/02/89/521520289.db2.gz ICMHJBYCDSRMSF-SFHVURJKSA-N 1 0 374.441 2.790 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000602801549 521540423 /nfs/dbraw/zinc/54/04/23/521540423.db2.gz FNVRNVHXKMTMOL-LBPRGKRZSA-N 1 0 372.351 2.652 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000602826205 521554397 /nfs/dbraw/zinc/55/43/97/521554397.db2.gz MYGLKDFFLBHNMZ-OAHLLOKOSA-N 1 0 358.446 2.512 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000602834298 521560653 /nfs/dbraw/zinc/56/06/53/521560653.db2.gz YKLOTPVMLQSGHR-FGTMMUONSA-N 1 0 356.426 2.604 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CCC(O)(CO)CC3)o2)c(Cl)c1 ZINC000597206333 521574485 /nfs/dbraw/zinc/57/44/85/521574485.db2.gz PDWZSPSXADMMKH-UHFFFAOYSA-N 1 0 366.801 2.827 20 5 FFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCOc1cc(C)ccc1[N+](=O)[O-] ZINC000619583812 521783899 /nfs/dbraw/zinc/78/38/99/521783899.db2.gz OKCRBKZVMLLPHD-CVEARBPZSA-N 1 0 361.442 2.757 20 5 FFBDRO O=[N+]([O-])c1ccc(NCC2CC[NH+](CCO)CC2)nc1-c1ccc(F)cc1 ZINC000485398964 561318326 /nfs/dbraw/zinc/31/83/26/561318326.db2.gz NYVYKIHYAOOOCR-UHFFFAOYSA-N 1 0 374.416 2.912 20 5 FFBDRO C[N@@H+]1CCO[C@@H]2CN(c3ccc4ccc5ccc(Cl)nc5c4n3)C[C@H]21 ZINC001164671917 719396240 /nfs/dbraw/zinc/39/62/40/719396240.db2.gz ZWAGWDILYQGQTP-HUUCEWRRSA-N 1 0 354.841 2.956 20 5 FFBDRO C[NH+](C)CC1CCN(c2nc(C(F)(F)F)nc(Cl)c2[N+](=O)[O-])CC1 ZINC001165045752 721949446 /nfs/dbraw/zinc/94/94/46/721949446.db2.gz ZWRKREKGKLKJMI-UHFFFAOYSA-N 1 0 367.759 2.835 20 5 FFBDRO O=[N+]([O-])c1cc[n+]([O-])c(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c1 ZINC001164993999 722191622 /nfs/dbraw/zinc/19/16/22/722191622.db2.gz KOLZSTKRISSYDJ-IBGZPJMESA-N 1 0 372.400 2.612 20 5 FFBDRO Cn1cc(C[NH2+]C[C@H](O)c2ccsc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000152553287 728761085 /nfs/dbraw/zinc/76/10/85/728761085.db2.gz ZQRLGGKRSVMYJH-INIZCTEOSA-N 1 0 358.423 2.880 20 5 FFBDRO Cc1c(C[NH2+]Cc2cccc(N(C)S(C)(=O)=O)c2)cccc1[N+](=O)[O-] ZINC000898282303 735335940 /nfs/dbraw/zinc/33/59/40/735335940.db2.gz AAQKIBZFQXEAFB-UHFFFAOYSA-N 1 0 363.439 2.589 20 5 FFBDRO O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CC([NH+]2CCCC2)C1 ZINC000898612742 735388881 /nfs/dbraw/zinc/38/88/81/735388881.db2.gz MERVDKCCRNAWJW-UHFFFAOYSA-N 1 0 358.423 2.639 20 5 FFBDRO CCN1CC[C@@H]1CNC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000899223293 735461684 /nfs/dbraw/zinc/46/16/84/735461684.db2.gz DSPWWWGTZUKDEW-SSDOTTSWSA-N 1 0 350.177 2.865 20 5 FFBDRO CC[C@H](C(=O)O[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)[NH+](CC)CC ZINC000778677298 738403980 /nfs/dbraw/zinc/40/39/80/738403980.db2.gz QDMPUAADAQXCDT-RBSFLKMASA-N 1 0 352.435 2.939 20 5 FFBDRO CC(C)[NH2+][C@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2Br)C1 ZINC000760809997 736670241 /nfs/dbraw/zinc/67/02/41/736670241.db2.gz DYPAUWIHMIMXRB-NSHDSACASA-N 1 0 370.247 2.960 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2Br)C1 ZINC000857303716 730390178 /nfs/dbraw/zinc/39/01/78/730390178.db2.gz LTLKTIPQZXIBLN-SNVBAGLBSA-N 1 0 370.247 2.960 20 5 FFBDRO O=[N+]([O-])c1c(Br)cccc1N1CCC([NH+]2CCOCC2)CC1 ZINC000858632302 730430404 /nfs/dbraw/zinc/43/04/04/730430404.db2.gz NLOCXQKJYTXENB-UHFFFAOYSA-N 1 0 370.247 2.658 20 5 FFBDRO O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N[C@H]1CC[NH2+]C12CCC2 ZINC000859667138 730462378 /nfs/dbraw/zinc/46/23/78/730462378.db2.gz CTAKWIGNLVBGSA-LBPRGKRZSA-N 1 0 369.219 2.763 20 5 FFBDRO C[N@@H+]1CCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])CCC1(C)C ZINC000871159303 731601238 /nfs/dbraw/zinc/60/12/38/731601238.db2.gz RGQJKEMTMTWLFM-UHFFFAOYSA-N 1 0 370.247 2.914 20 5 FFBDRO C[C@H]([NH2+]C[C@]1(N2CCOCC2)CCSC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872028110 731722060 /nfs/dbraw/zinc/72/20/60/731722060.db2.gz PFQINWDTSPBYNN-SUMWQHHRSA-N 1 0 369.462 2.592 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CC1C[C@H]3CC[C@@H](C1)S3(=O)=O)CCC2 ZINC000872120122 731731673 /nfs/dbraw/zinc/73/16/73/731731673.db2.gz ZHUXCDYRHCFQTQ-QKABRSEGSA-N 1 0 364.467 2.918 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[NH2+]CCC1(C)C ZINC000872294476 731749690 /nfs/dbraw/zinc/74/96/90/731749690.db2.gz ODYHNBZWVXHLAQ-NSHDSACASA-N 1 0 355.822 2.616 20 5 FFBDRO COc1ccc(OC)c([C@@H](O)[C@@H](C)[NH2+]Cc2csc([N+](=O)[O-])c2)c1 ZINC000873196607 731889559 /nfs/dbraw/zinc/88/95/59/731889559.db2.gz SUWBFYPSMOEIRM-HWPZZCPQSA-N 1 0 352.412 2.885 20 5 FFBDRO O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000873315048 731900806 /nfs/dbraw/zinc/90/08/06/731900806.db2.gz ZXLYVIUNVNATQB-JSGCOSHPSA-N 1 0 369.219 2.763 20 5 FFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@@H](O)c3ccc(Cl)c(F)c3)C2)c1 ZINC000877129288 732326882 /nfs/dbraw/zinc/32/68/82/732326882.db2.gz MFYGSWYMAFTOEI-QKFMDRJYSA-N 1 0 354.769 2.611 20 5 FFBDRO COC[C@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)c1ccc(F)c(F)c1 ZINC000877132867 732327504 /nfs/dbraw/zinc/32/75/04/732327504.db2.gz PIYCORBXDCVQHG-PPUFBPAQSA-N 1 0 352.341 2.750 20 5 FFBDRO O=C(N[C@]12CCC[C@H]1[NH2+]CC2)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000877392641 732356713 /nfs/dbraw/zinc/35/67/13/732356713.db2.gz HKFNVAUXNAADCQ-RISCZKNCSA-N 1 0 372.194 2.511 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000877831293 732443786 /nfs/dbraw/zinc/44/37/86/732443786.db2.gz RRBTUICLUFRAPR-QHSBEEBCSA-N 1 0 362.348 2.700 20 5 FFBDRO CC(C)[C@H](C(=O)NCc1ccc(Br)cc1[N+](=O)[O-])[NH+](C)C ZINC000881863573 733122341 /nfs/dbraw/zinc/12/23/41/733122341.db2.gz BWXULCSXQWKDIH-CYBMUJFWSA-N 1 0 358.236 2.560 20 5 FFBDRO COC1CC[NH+](C2(CNc3ccnc(F)c3[N+](=O)[O-])CCCC2)CC1 ZINC000881957872 733143314 /nfs/dbraw/zinc/14/33/14/733143314.db2.gz TYPVUNNAVNVWEL-UHFFFAOYSA-N 1 0 352.410 2.964 20 5 FFBDRO CC1([NH+]2CCC2)CCN(c2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000882964014 733315785 /nfs/dbraw/zinc/31/57/85/733315785.db2.gz QHDMPYYEDPDBRE-UHFFFAOYSA-N 1 0 355.236 2.817 20 5 FFBDRO COC[C@@H]([NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000883295406 733361395 /nfs/dbraw/zinc/36/13/95/733361395.db2.gz HLAAGDFHPUJXTA-TZMCWYRMSA-N 1 0 373.247 2.889 20 5 FFBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]CC[C@H]1CCCS1(=O)=O ZINC000883307243 733365969 /nfs/dbraw/zinc/36/59/69/733365969.db2.gz PNDZGEOZVIBMQE-UAGQMJEPSA-N 1 0 366.483 2.863 20 5 FFBDRO O=C(C[N@@H+]1CC[C@H]([C@H]2CCCO2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000886829650 733845961 /nfs/dbraw/zinc/84/59/61/733845961.db2.gz DTAHCHCJZBRYFN-XHDPSFHLSA-N 1 0 353.806 2.688 20 5 FFBDRO COC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1Br)[C@H]1CCCOC1 ZINC000886916289 733858592 /nfs/dbraw/zinc/85/85/92/733858592.db2.gz RMMAABQWDPGMDO-QWHCGFSZSA-N 1 0 373.247 2.889 20 5 FFBDRO COCCN(CC[NH+](C)C)C(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C ZINC000888288420 734032394 /nfs/dbraw/zinc/03/23/94/734032394.db2.gz LSJOHXCKIJEHBK-UHFFFAOYSA-N 1 0 358.826 2.599 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N2CCC([NH2+]C3CCC3)CC2)c1F ZINC000889824182 734230770 /nfs/dbraw/zinc/23/07/70/734230770.db2.gz AQBCMWRQZHDDKG-UHFFFAOYSA-N 1 0 353.369 2.928 20 5 FFBDRO O=[N+]([O-])c1ccc(CNC2CC[NH+](C[C@@H]3CCCO3)CC2)cc1Cl ZINC000783628805 738821147 /nfs/dbraw/zinc/82/11/47/738821147.db2.gz MFNFCUWWQRNSSE-HNNXBMFYSA-N 1 0 353.850 2.981 20 5 FFBDRO C[N@@H+]1C[C@@]2(C)CN(c3ncc([N+](=O)[O-])cc3Br)C[C@@]2(C)C1 ZINC000894797497 734918728 /nfs/dbraw/zinc/91/87/28/734918728.db2.gz MGLWISKGRRNGAZ-OKILXGFUSA-N 1 0 355.236 2.530 20 5 FFBDRO C[NH+]1C[C@]2(C)CN(c3ncc(Br)cc3[N+](=O)[O-])C[C@@]2(C)C1 ZINC000894798481 734919172 /nfs/dbraw/zinc/91/91/72/734919172.db2.gz WWMAJOSFMZTLDT-ZIAGYGMSSA-N 1 0 355.236 2.530 20 5 FFBDRO O=C1N(CC[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]2CCCCN12 ZINC000895468050 735010695 /nfs/dbraw/zinc/01/06/95/735010695.db2.gz OZPDASIDIMZCOH-CQSZACIVSA-N 1 0 352.822 2.628 20 5 FFBDRO O=C1N(CC[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]2CCCCN12 ZINC000895468048 735010834 /nfs/dbraw/zinc/01/08/34/735010834.db2.gz OZPDASIDIMZCOH-AWEZNQCLSA-N 1 0 352.822 2.628 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c(C(F)(F)F)c1 ZINC000742255152 735215179 /nfs/dbraw/zinc/21/51/79/735215179.db2.gz QAOCOTJQBPXWKR-HUUCEWRRSA-N 1 0 359.348 2.649 20 5 FFBDRO COc1ccc(C[NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F)cc1[N+](=O)[O-] ZINC000899872659 735564018 /nfs/dbraw/zinc/56/40/18/735564018.db2.gz DKPXZDXFAQPXIM-NSHDSACASA-N 1 0 358.263 2.642 20 5 FFBDRO COc1cc([C@H](C)[NH2+]C[C@@H]2CC[C@@]3(CO[C@H](C)C3)O2)cc([N+](=O)[O-])c1 ZINC000903221760 736058345 /nfs/dbraw/zinc/05/83/45/736058345.db2.gz SRJJOMTTXOQILD-VNVHMNPZSA-N 1 0 350.415 2.981 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC1(O)CCC2(CC1)OCCO2 ZINC000903373846 736084642 /nfs/dbraw/zinc/08/46/42/736084642.db2.gz DVUMIAGULFNTQC-AWEZNQCLSA-N 1 0 350.415 2.602 20 5 FFBDRO COc1ccc(OCC[NH2+][C@@H](CCO)c2cccs2)c([N+](=O)[O-])c1 ZINC000754382719 736153961 /nfs/dbraw/zinc/15/39/61/736153961.db2.gz HKHLPSYUOSWGDW-ZDUSSCGKSA-N 1 0 352.412 2.757 20 5 FFBDRO C[NH+]1CCC(CNC(=S)NCCc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000760502845 736645715 /nfs/dbraw/zinc/64/57/15/736645715.db2.gz PNKJCZOXLNYZGM-UHFFFAOYSA-N 1 0 370.906 2.597 20 5 FFBDRO CC[N@H+](C[C@@H]1CCOC1)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000764197671 737000757 /nfs/dbraw/zinc/00/07/57/737000757.db2.gz PQEPPNYUUJSXAO-RYUDHWBXSA-N 1 0 355.822 2.934 20 5 FFBDRO C[C@@H]1CN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000764477789 737022153 /nfs/dbraw/zinc/02/21/53/737022153.db2.gz FWZRXOOZGRTMPH-PBHICJAKSA-N 1 0 366.893 2.706 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])c(NC[C@@]2([NH+](C)C)CCSC2)cc1Cl ZINC000765516623 737127666 /nfs/dbraw/zinc/12/76/66/737127666.db2.gz NRKYECKEWSZQQM-HNNXBMFYSA-N 1 0 373.862 2.884 20 5 FFBDRO CC(C)(C)OC(=O)[C@H]1CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000766950824 737278809 /nfs/dbraw/zinc/27/88/09/737278809.db2.gz RFGKUNGYFOUJEF-GOEBONIOSA-N 1 0 350.415 2.682 20 5 FFBDRO C[C@@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000912806110 737342411 /nfs/dbraw/zinc/34/24/11/737342411.db2.gz CWHJWZSGRRGTJP-NHYWBVRUSA-N 1 0 352.410 2.509 20 5 FFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCCN1CCOC1=O ZINC000768101531 737398230 /nfs/dbraw/zinc/39/82/30/737398230.db2.gz IANPDHQFNWOANK-ZDUSSCGKSA-N 1 0 353.444 2.897 20 5 FFBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)CCc3ccc([N+](=O)[O-])cc3Cl)CC[C@@H]21 ZINC000913759903 737443921 /nfs/dbraw/zinc/44/39/21/737443921.db2.gz BXRJIGPGHPFKGE-CJNGLKHVSA-N 1 0 351.834 2.733 20 5 FFBDRO O=[N+]([O-])c1cc(S(=O)(=O)NC2CCC([NH+]3CCCCC3)CC2)cs1 ZINC000768852024 737467052 /nfs/dbraw/zinc/46/70/52/737467052.db2.gz HTOHUUZSDKPKBR-UHFFFAOYSA-N 1 0 373.500 2.732 20 5 FFBDRO C[NH+]1CCC2(CCN2C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000771024929 737685835 /nfs/dbraw/zinc/68/58/35/737685835.db2.gz JZIZCSGAYPZWLT-UHFFFAOYSA-N 1 0 368.231 2.668 20 5 FFBDRO Cc1cc(S(=O)(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)cc([N+](=O)[O-])c1F ZINC000771730118 737750246 /nfs/dbraw/zinc/75/02/46/737750246.db2.gz BEBIBRNAXXHZTD-CHWSQXEVSA-N 1 0 373.450 2.584 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CCc3cccs3)CC2)c2nonc21 ZINC000919964941 737884717 /nfs/dbraw/zinc/88/47/17/737884717.db2.gz NWEBXQJKASVGCC-UHFFFAOYSA-N 1 0 359.411 2.557 20 5 FFBDRO CS(=O)(=O)C1CCC(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000922419051 738142122 /nfs/dbraw/zinc/14/21/22/738142122.db2.gz GOFHKWPNBXLIMF-XQRVVYSFSA-N 1 0 352.456 2.801 20 5 FFBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000777978020 738338162 /nfs/dbraw/zinc/33/81/62/738338162.db2.gz RIBOKWSUBOAGHB-UHFFFAOYSA-N 1 0 373.450 2.585 20 5 FFBDRO C[C@@H](CNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000778231248 738365240 /nfs/dbraw/zinc/36/52/40/738365240.db2.gz FKQDNZCHWLLUPM-OLZOCXBDSA-N 1 0 355.385 2.923 20 5 FFBDRO C[C@H](CNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1)[N@@H+]1CCCC[C@@H]1C ZINC000778237137 738365791 /nfs/dbraw/zinc/36/57/91/738365791.db2.gz SWUMTKQWJZSJRH-WDEREUQCSA-N 1 0 363.443 2.592 20 5 FFBDRO CC[NH+](CC)C[C@@H](C)NS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000784721090 738914550 /nfs/dbraw/zinc/91/45/50/738914550.db2.gz GAMXPGVRGWDRRT-LLVKDONJSA-N 1 0 363.867 2.565 20 5 FFBDRO O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000930160743 739066936 /nfs/dbraw/zinc/06/69/36/739066936.db2.gz XWUTVCFAISUQPK-ZDUSSCGKSA-N 1 0 368.821 2.623 20 5 FFBDRO O=C(Nc1cccc([N+](=O)[O-])c1Cl)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000931296832 739239881 /nfs/dbraw/zinc/23/98/81/739239881.db2.gz ALAMZDJIFJOQFB-GXFFZTMASA-N 1 0 370.862 2.950 20 5 FFBDRO CC(C)OC(=O)N1CCC([NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000788641642 739267136 /nfs/dbraw/zinc/26/71/36/739267136.db2.gz XKKJBJZNKIVEAO-GFCCVEGCSA-N 1 0 350.419 2.837 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2CC[C@H](SC)C2)cc1[N+](=O)[O-] ZINC000788968344 739304096 /nfs/dbraw/zinc/30/40/96/739304096.db2.gz XAKJIUINKHDGKN-OLZOCXBDSA-N 1 0 354.428 2.520 20 5 FFBDRO COC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Br)[C@@H]1CCCOC1 ZINC000931755215 739324298 /nfs/dbraw/zinc/32/42/98/739324298.db2.gz QUWVYVCMJYPFLJ-IAQYHMDHSA-N 1 0 373.247 2.889 20 5 FFBDRO COC[C@@H]([NH2+]Cc1c(Br)cccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000931754722 739324344 /nfs/dbraw/zinc/32/43/44/739324344.db2.gz KZYMXCQQUNODFY-SMDDNHRTSA-N 1 0 373.247 2.889 20 5 FFBDRO C[C@@H]([NH2+]CCOc1cccc(S(C)(=O)=O)c1)c1ccc([N+](=O)[O-])cc1 ZINC000932179153 739399164 /nfs/dbraw/zinc/39/91/64/739399164.db2.gz DUVDJVNHCJGCKN-CYBMUJFWSA-N 1 0 364.423 2.728 20 5 FFBDRO CC(C)[C@H](C(=O)OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000791931987 739617919 /nfs/dbraw/zinc/61/79/19/739617919.db2.gz SVTNIQYIXJELPL-OAHLLOKOSA-N 1 0 351.359 2.667 20 5 FFBDRO CC(C)[NH+]1CCN(CCCOC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000792087808 739637192 /nfs/dbraw/zinc/63/71/92/739637192.db2.gz GIVIKNIBJUSPLS-UHFFFAOYSA-N 1 0 369.849 2.821 20 5 FFBDRO O=[N+]([O-])c1ccc(Br)c2c1CN(CC[NH+]1CCCC1)CC2 ZINC000792892322 739715828 /nfs/dbraw/zinc/71/58/28/739715828.db2.gz MWIRMGCTQHBTCX-UHFFFAOYSA-N 1 0 354.248 2.811 20 5 FFBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC000935153346 739903419 /nfs/dbraw/zinc/90/34/19/739903419.db2.gz YTYYYWZMCILSHZ-ZDUSSCGKSA-N 1 0 351.422 2.855 20 5 FFBDRO C[N@@H+]1CCN(CCNc2cc(Br)ccc2[N+](=O)[O-])CC1(C)C ZINC000799325780 740408674 /nfs/dbraw/zinc/40/86/74/740408674.db2.gz KWPOHWGKIMFBAB-UHFFFAOYSA-N 1 0 371.279 2.795 20 5 FFBDRO CSC1(CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC[NH+](C)CC1 ZINC000810881147 741458470 /nfs/dbraw/zinc/45/84/70/741458470.db2.gz HQRMBWASCUUSTQ-UHFFFAOYSA-N 1 0 357.863 2.805 20 5 FFBDRO O=C(NCC1CC[NH+](CCC2CCCCCC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001001399607 742118868 /nfs/dbraw/zinc/11/88/68/742118868.db2.gz LMQGGDWXGXTDHB-QZTJIDSGSA-N 1 0 351.491 2.840 20 5 FFBDRO O=C(NC1CC[NH+](CCCc2ccccc2Cl)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001002789028 742173915 /nfs/dbraw/zinc/17/39/15/742173915.db2.gz QWJKFAWTJWKICA-NVXWUHKLSA-N 1 0 365.861 2.518 20 5 FFBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000818000133 742227839 /nfs/dbraw/zinc/22/78/39/742227839.db2.gz HEHWEIMFVNRPRS-XHDPSFHLSA-N 1 0 369.824 2.920 20 5 FFBDRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000818009840 742229338 /nfs/dbraw/zinc/22/93/38/742229338.db2.gz BVWOTMMHRDTRPZ-ZBFHGGJFSA-N 1 0 367.833 2.607 20 5 FFBDRO [NH3+][C@H]1CCCO[C@H]1C1CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000818010979 742229717 /nfs/dbraw/zinc/22/97/17/742229717.db2.gz SEGBKWUTVOHOIW-HOCLYGCPSA-N 1 0 367.833 2.607 20 5 FFBDRO CN(C(=O)c1ccc(Br)cc1[N+](=O)[O-])C1CCC([NH3+])CC1 ZINC000818528699 742276977 /nfs/dbraw/zinc/27/69/77/742276977.db2.gz AYZDYLOCFQETPP-UHFFFAOYSA-N 1 0 356.220 2.699 20 5 FFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000818534580 742277425 /nfs/dbraw/zinc/27/74/25/742277425.db2.gz RGMKVPYEYMMHFF-ZDUSSCGKSA-N 1 0 359.451 2.893 20 5 FFBDRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000818632573 742287075 /nfs/dbraw/zinc/28/70/75/742287075.db2.gz GDHYYUFIGVJNLD-GHMZBOCLSA-N 1 0 357.208 2.749 20 5 FFBDRO CC1CCC2(CC1)OC[C@@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)O2 ZINC000819215368 742355368 /nfs/dbraw/zinc/35/53/68/742355368.db2.gz HJCUEVXKOGWSCG-KJFXSAIASA-N 1 0 350.415 2.540 20 5 FFBDRO CC1(C)Oc2ccsc2[C@H]([NH2+]CCOc2cccc([N+](=O)[O-])c2)[C@H]1O ZINC000821312223 742608473 /nfs/dbraw/zinc/60/84/73/742608473.db2.gz XQILDZWVMOQRKU-GOEBONIOSA-N 1 0 364.423 2.898 20 5 FFBDRO CC[NH+](CC)C[C@@H](C)NC(=O)c1cc(Cl)c([N+](=O)[O-])cc1NC(C)=O ZINC000823310397 742879250 /nfs/dbraw/zinc/87/92/50/742879250.db2.gz MEFINIYTSPDNRP-SNVBAGLBSA-N 1 0 370.837 2.667 20 5 FFBDRO O=C(N[C@H]1CC[C@H]([NH2+]Cc2cc(Cl)ccc2F)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001034642894 742927434 /nfs/dbraw/zinc/92/74/34/742927434.db2.gz HKBIOYZZCCOPLV-IXYNUQLISA-N 1 0 369.824 2.661 20 5 FFBDRO Cc1cc(Cl)ccc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001034644027 742928581 /nfs/dbraw/zinc/92/85/81/742928581.db2.gz YLHUROOXPAVUAV-QBPKDAKJSA-N 1 0 365.861 2.831 20 5 FFBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+][C@H]1CCCN(CCCO)C1 ZINC000824583173 743111236 /nfs/dbraw/zinc/11/12/36/743111236.db2.gz IQPUCBIRMLPYET-ZDUSSCGKSA-N 1 0 362.257 2.838 20 5 FFBDRO O=C(NC[C@H]1CC[C@H](C[NH2+]CC2CCCCC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001048606629 743414563 /nfs/dbraw/zinc/41/45/63/743414563.db2.gz ADLYZEQUAXLGIK-BRSBDYLESA-N 1 0 351.491 2.744 20 5 FFBDRO O=C(C[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000831159550 745492842 /nfs/dbraw/zinc/49/28/42/745492842.db2.gz WTGLYMFSMYURSH-JGGQBBKZSA-N 1 0 367.833 2.812 20 5 FFBDRO C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@@H](CO)CC(C)(C)C ZINC000832093812 745635329 /nfs/dbraw/zinc/63/53/29/745635329.db2.gz JKFGLKUKSQSASV-CYBMUJFWSA-N 1 0 355.410 2.791 20 5 FFBDRO CC(C)(C)OC(=O)[C@]1(C)CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000839106001 746775745 /nfs/dbraw/zinc/77/57/45/746775745.db2.gz ZGIAADXVXYTMFI-CRAIPNDOSA-N 1 0 350.415 2.682 20 5 FFBDRO C[C@]1([NH2+]CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CCO[C@@H]1C1CC1 ZINC000839550070 746853135 /nfs/dbraw/zinc/85/31/35/746853135.db2.gz GVVOKNFWJFUIRE-CVEARBPZSA-N 1 0 353.806 2.734 20 5 FFBDRO NC(=O)[C@@H]1C[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@H]1c1ccccc1 ZINC000839641337 746879377 /nfs/dbraw/zinc/87/93/77/746879377.db2.gz RVTLEVBUAJNBFZ-LSDHHAIUSA-N 1 0 359.813 2.949 20 5 FFBDRO C[NH2+]C[C@@H]1CCCN1C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841161610 747284376 /nfs/dbraw/zinc/28/43/76/747284376.db2.gz NRRNVIZZEAUWAO-JTQLQIEISA-N 1 0 357.208 2.573 20 5 FFBDRO O=C(NC[C@@H]1CCCC[NH2+]1)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841162304 747284968 /nfs/dbraw/zinc/28/49/68/747284968.db2.gz SYKGSVHWDKGHSA-JTQLQIEISA-N 1 0 357.208 2.621 20 5 FFBDRO C[C@H](N[C@H]1[C@@H](C)[NH2+]CC[C@@H]1C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000842476531 747613307 /nfs/dbraw/zinc/61/33/07/747613307.db2.gz QPQKLMLONXFBSD-BQVMBELUSA-N 1 0 354.838 2.551 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CCC[C@@H]2CC2(Cl)Cl)c1 ZINC000844277486 747996452 /nfs/dbraw/zinc/99/64/52/747996452.db2.gz LNYJVTOUGJQZHV-DGCLKSJQSA-N 1 0 363.241 2.898 20 5 FFBDRO CC[C@@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@H](CC)CO1 ZINC000844388416 748019205 /nfs/dbraw/zinc/01/92/05/748019205.db2.gz YWMSPDDYQLJDQT-TZMCWYRMSA-N 1 0 353.394 2.952 20 5 FFBDRO C[C@@H]1C[N@H+](C)[C@H](C)[C@H](C)N1C(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000844640413 748062188 /nfs/dbraw/zinc/06/21/88/748062188.db2.gz HIHULKSWUCLNLS-MXWKQRLJSA-N 1 0 370.247 2.910 20 5 FFBDRO CN(CC[NH+]1CCCCC1)C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000846662025 748522251 /nfs/dbraw/zinc/52/22/51/748522251.db2.gz IZYRUOZKVZARBT-UHFFFAOYSA-N 1 0 370.247 2.915 20 5 FFBDRO CC[C@@H](CSC)[N@H+](C)CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848483501 748937729 /nfs/dbraw/zinc/93/77/29/748937729.db2.gz IIOYSEWZTACRQG-HOCLYGCPSA-N 1 0 351.472 2.942 20 5 FFBDRO CC(C)[NH2+]C1CCN(C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)CC1 ZINC000848582268 748965677 /nfs/dbraw/zinc/96/56/77/748965677.db2.gz ZKDRECQTSHTEMM-UHFFFAOYSA-N 1 0 357.357 2.555 20 5 FFBDRO CC[N@@H+]1CCCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000852167703 749791968 /nfs/dbraw/zinc/79/19/68/749791968.db2.gz YVKVIQSHWSUYAJ-LBPRGKRZSA-N 1 0 354.838 2.603 20 5 FFBDRO C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000044564360 845095973 /nfs/dbraw/zinc/09/59/73/845095973.db2.gz DJIOJIZONJEASN-LLVKDONJSA-N 1 0 356.220 2.571 20 5 FFBDRO COC(=O)c1ccnc(-n2c3ccc(F)cc3c3c2CC[NH2+]C3)c1[N+](=O)[O-] ZINC001167087027 959865066 /nfs/dbraw/zinc/86/50/66/959865066.db2.gz FXODGRFRQHJMJW-UHFFFAOYSA-N 1 0 370.340 2.505 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000872281722 1013200984 /nfs/dbraw/zinc/20/09/84/1013200984.db2.gz YLIOHUBPBWPKIM-WBVHZDCISA-N 1 0 364.442 2.758 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]Cc1cccc(OCC(=O)N(C)C)c1 ZINC000873015294 1013348348 /nfs/dbraw/zinc/34/83/48/1013348348.db2.gz IJWOAPXVZNTBTL-UHFFFAOYSA-N 1 0 371.437 2.968 20 5 FFBDRO CC(C)[NH+]1CCC(NC(=O)CN(Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000135226982 963854799 /nfs/dbraw/zinc/85/47/99/963854799.db2.gz KUDAVIGBHPUPAS-UHFFFAOYSA-N 1 0 374.485 2.548 20 5 FFBDRO O=C(NCC1([NH2+]Cc2cccc(F)c2Cl)CCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001482218037 964147092 /nfs/dbraw/zinc/14/70/92/964147092.db2.gz HLSIIPXXSQLLBV-TZMCWYRMSA-N 1 0 369.824 2.663 20 5 FFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(CC[NH2+]Cc2ccc(CF)cc2)CC1 ZINC001269858740 964372566 /nfs/dbraw/zinc/37/25/66/964372566.db2.gz CJNMNPVHHFCETF-QZTJIDSGSA-N 1 0 363.433 2.540 20 5 FFBDRO Cc1cccc(C)c1N(C[C@H](C)[NH+](C)C)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000891570411 964504576 /nfs/dbraw/zinc/50/45/76/964504576.db2.gz ZIQPGVPYYUSBRZ-INIZCTEOSA-N 1 0 373.457 2.782 20 5 FFBDRO C[NH+]1CCN(c2ccc(Nc3ccc(/C=C/[N+](=O)[O-])cc3)cc2CO)CC1 ZINC001175901904 1013586294 /nfs/dbraw/zinc/58/62/94/1013586294.db2.gz BAISTDLFKSECQX-CMDGGOBGSA-N 1 0 368.437 2.922 20 5 FFBDRO C/C(=C/C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000785109942 966003254 /nfs/dbraw/zinc/00/32/54/966003254.db2.gz QRQRLSJDFBWYFM-REJXWNQVSA-N 1 0 361.442 2.614 20 5 FFBDRO C[C@@H](CNC(=O)NC1CC[NH+](CC2CC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000892122536 966020053 /nfs/dbraw/zinc/02/00/53/966020053.db2.gz XZYTYMPKPZKSKZ-AWEZNQCLSA-N 1 0 360.458 2.872 20 5 FFBDRO CC(C)[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC1CCC2(CC2)CC1 ZINC001267256907 967485252 /nfs/dbraw/zinc/48/52/52/967485252.db2.gz HQOFJOZPEQSIEY-IAGOWNOFSA-N 1 0 351.491 2.839 20 5 FFBDRO CCCCNC(=O)[C@H]1CCC[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000050901679 968104286 /nfs/dbraw/zinc/10/42/86/968104286.db2.gz CODVXQRPHGCTAW-HNNXBMFYSA-N 1 0 359.430 2.530 20 5 FFBDRO O=[N+]([O-])c1cc(O[C@H]2CCC[NH2+]C[C@H]2F)c(F)cc1Br ZINC001217947304 969189283 /nfs/dbraw/zinc/18/92/83/969189283.db2.gz ILNZMYCJYUANEJ-KOLCDFICSA-N 1 0 351.147 2.965 20 5 FFBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 ZINC000177572135 969272562 /nfs/dbraw/zinc/27/25/62/969272562.db2.gz PQSDZIJTAFXIMC-LSDHHAIUSA-N 1 0 360.458 2.798 20 5 FFBDRO C[C@H]1C[C@@H](Oc2ccc([N+](=O)[O-])c(I)c2)CC[NH2+]1 ZINC001218058442 969409180 /nfs/dbraw/zinc/40/91/80/969409180.db2.gz WZIBLCYVPSHQFB-WPRPVWTQSA-N 1 0 362.167 2.719 20 5 FFBDRO O=[N+]([O-])c1ccc(O[C@H]2CC[C@]23CC[NH2+]C3)cc1I ZINC001218119005 969470346 /nfs/dbraw/zinc/47/03/46/969470346.db2.gz QRODBJIEEVWOOU-QWHCGFSZSA-N 1 0 374.178 2.720 20 5 FFBDRO C[C@@H](CNC(=O)N1CCC[C@H]([NH+]2CCCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000897071430 973221065 /nfs/dbraw/zinc/22/10/65/973221065.db2.gz FJQAKFAVRIOBCQ-HOTGVXAUSA-N 1 0 360.458 2.968 20 5 FFBDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000825827646 1014092199 /nfs/dbraw/zinc/09/21/99/1014092199.db2.gz WZOYLLWBUYIQMR-YOEHRIQHSA-N 1 0 363.458 2.645 20 5 FFBDRO CC(C)(C)Oc1cc(N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)ccc1[N+](=O)[O-] ZINC000897221804 973460747 /nfs/dbraw/zinc/46/07/47/973460747.db2.gz OWVNAUDDDQJVKT-CVEARBPZSA-N 1 0 363.458 2.808 20 5 FFBDRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000899809653 977344420 /nfs/dbraw/zinc/34/44/20/977344420.db2.gz BNFDMRQRHYEDJP-CYBMUJFWSA-N 1 0 365.393 2.822 20 5 FFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]Cc3ccc(N4CCCCC4)nc3)C2)c1 ZINC000876935302 1014425491 /nfs/dbraw/zinc/42/54/91/1014425491.db2.gz BBWGHXPOAJOBBE-UHFFFAOYSA-N 1 0 356.430 2.670 20 5 FFBDRO COc1ccccc1N1CCC([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000876989394 1014441972 /nfs/dbraw/zinc/44/19/72/1014441972.db2.gz VCQGJSAXJZYUSM-UHFFFAOYSA-N 1 0 371.441 2.762 20 5 FFBDRO CN(C)[C@H](C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)c1c(F)cccc1F ZINC000877044698 1014460639 /nfs/dbraw/zinc/46/06/39/1014460639.db2.gz FDULQPOCDUYMMG-ZEPSKSRBSA-N 1 0 365.384 2.666 20 5 FFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CCc3nc(-c4ccncc4)cs3)C2)c1 ZINC000877058989 1014463573 /nfs/dbraw/zinc/46/35/73/1014463573.db2.gz IMOKCNISIQZLKW-UHFFFAOYSA-N 1 0 370.438 2.846 20 5 FFBDRO C[C@](O)(C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccc(F)cc1 ZINC000877127890 1014482633 /nfs/dbraw/zinc/48/26/33/1014482633.db2.gz OPKZWFASYGEEIE-IBGZPJMESA-N 1 0 374.416 2.595 20 5 FFBDRO C[NH2+][C@@H](C)Cc1noc(-c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)n1 ZINC000261851093 978504861 /nfs/dbraw/zinc/50/48/61/978504861.db2.gz STYKCJRGPQXCCB-NSHDSACASA-N 1 0 370.413 2.657 20 5 FFBDRO CC(C)c1ccc(C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000877328869 1014550213 /nfs/dbraw/zinc/55/02/13/1014550213.db2.gz LXUHQNSJTRIPIN-OAHLLOKOSA-N 1 0 361.442 2.607 20 5 FFBDRO C[C@H](O)[C@](C)(C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)Cc1ccccc1 ZINC000877473245 1014593003 /nfs/dbraw/zinc/59/30/03/1014593003.db2.gz JHEXTIHILLXHJV-TXIZYHGNSA-N 1 0 358.442 2.714 20 5 FFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@H]3CCN(c4ccccc4F)C3)C2)c1 ZINC000877542680 1014619920 /nfs/dbraw/zinc/61/99/20/1014619920.db2.gz VDNUBGCTFZKIJE-WLYUNCDWSA-N 1 0 359.405 2.750 20 5 FFBDRO CCOC(=O)C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C(C)(C)C ZINC000128963486 980366766 /nfs/dbraw/zinc/36/67/66/980366766.db2.gz ILZAXGAEDHDPKJ-UHFFFAOYSA-N 1 0 369.393 2.726 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@@]1(c2ccccc2)CCCO1 ZINC000905620349 980473292 /nfs/dbraw/zinc/47/32/92/980473292.db2.gz AEPQUXDDKBRGJA-YLJYHZDGSA-N 1 0 372.421 2.630 20 5 FFBDRO O=C(NC1CC2(C1)CC([NH2+]Cc1ccc(C3CC3)cc1)C2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000963791897 1014766222 /nfs/dbraw/zinc/76/62/22/1014766222.db2.gz UKOXCUFGKQCWSB-JGQKGBITSA-N 1 0 369.465 2.746 20 5 FFBDRO CC[N@@H+]1CCCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)[C@@H](C)C1 ZINC000910270149 981879433 /nfs/dbraw/zinc/87/94/33/981879433.db2.gz KXVPDQBLAKPZSF-ZDUSSCGKSA-N 1 0 357.414 2.541 20 5 FFBDRO O=[N+]([O-])c1ccccc1-c1nnc(CN2CC[C@H]([NH+]3CCCCC3)C2)o1 ZINC000878087214 1014853050 /nfs/dbraw/zinc/85/30/50/1014853050.db2.gz YBQCQOBVWPYLNY-AWEZNQCLSA-N 1 0 357.414 2.705 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]Cc3ccc(CCO)cc3)CC2)cc1 ZINC000898170661 982632828 /nfs/dbraw/zinc/63/28/28/982632828.db2.gz JOKMHRBDXGSIBP-UHFFFAOYSA-N 1 0 355.438 2.888 20 5 FFBDRO O=C(NC1(C2CC[NH+](CCCc3ccccc3)CC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001000151233 986725847 /nfs/dbraw/zinc/72/58/47/986725847.db2.gz SKTBXZLHQHXCQE-RTBURBONSA-N 1 0 371.481 2.645 20 5 FFBDRO C[N@@H+]1CCCC[C@@H]1CCOC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000915469773 988589095 /nfs/dbraw/zinc/58/90/95/988589095.db2.gz SZANSESFTGEWJL-CQSZACIVSA-N 1 0 358.398 2.812 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC2(CC1)CC[NH+](C)CC2 ZINC000879249651 1015438618 /nfs/dbraw/zinc/43/86/18/1015438618.db2.gz XSOSLKDZCATVOY-UHFFFAOYSA-N 1 0 360.458 2.650 20 5 FFBDRO O=C(Nc1ccc(C[NH+]2CCC(O)CC2)cc1)c1cc(F)ccc1[N+](=O)[O-] ZINC000763136492 989093438 /nfs/dbraw/zinc/09/34/38/989093438.db2.gz DPGOLEUBHCFJRS-UHFFFAOYSA-N 1 0 373.384 2.943 20 5 FFBDRO CC(C)c1ccc(C[NH+]2CCC(N(C)C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1 ZINC001005374157 989740248 /nfs/dbraw/zinc/74/02/48/989740248.db2.gz CABXMSPTQYRKTP-RTBURBONSA-N 1 0 359.470 2.898 20 5 FFBDRO CC(C)([NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)[C@@H]1CCCCO1 ZINC000879406956 1015516901 /nfs/dbraw/zinc/51/69/01/1015516901.db2.gz LFUAHJNGVMOPFK-INIZCTEOSA-N 1 0 363.414 2.830 20 5 FFBDRO COC(=O)N1CCC(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000796500523 1015520785 /nfs/dbraw/zinc/52/07/85/1015520785.db2.gz OBFFJVZCJIXYFL-UHFFFAOYSA-N 1 0 373.356 2.764 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@@H](O)c2ccccc2C(F)(F)F)cc1 ZINC000918748001 990488035 /nfs/dbraw/zinc/48/80/35/990488035.db2.gz KETYTKUEJNBDMA-JKSUJKDBSA-N 1 0 370.327 2.970 20 5 FFBDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000923310611 991063481 /nfs/dbraw/zinc/06/34/81/991063481.db2.gz LJKHRRSRIRXKMQ-DLBZAZTESA-N 1 0 372.469 2.506 20 5 FFBDRO CC1(C)Nc2ccccc2[C@@H]1[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000923425104 991135182 /nfs/dbraw/zinc/13/51/82/991135182.db2.gz FGXVBQPMEHBCTG-UGSOOPFHSA-N 1 0 357.410 2.870 20 5 FFBDRO C[C@H]1CCCN(CC[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000237669972 991300036 /nfs/dbraw/zinc/30/00/36/991300036.db2.gz LYBPNILWYICGRJ-HNNXBMFYSA-N 1 0 357.458 2.817 20 5 FFBDRO C[NH+](C)C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CC1 ZINC000068079748 991315639 /nfs/dbraw/zinc/31/56/39/991315639.db2.gz DXHUDUTXAQJYFN-UHFFFAOYSA-N 1 0 360.458 2.751 20 5 FFBDRO C[N@@H+](Cc1ccc2cc[nH]c2c1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000879725283 1015654817 /nfs/dbraw/zinc/65/48/17/1015654817.db2.gz XUEGNDGXMJUWFQ-MRXNPFEDSA-N 1 0 355.394 2.948 20 5 FFBDRO Cc1cc(C(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)c(N)c([N+](=O)[O-])c1 ZINC000072097680 992753377 /nfs/dbraw/zinc/75/33/77/992753377.db2.gz LTLQYPRUNIRCQG-QGZVFWFLSA-N 1 0 362.474 2.972 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)c1cccc(CC[NH+](C)C)c1 ZINC001152206339 1032125978 /nfs/dbraw/zinc/12/59/78/1032125978.db2.gz OEDJGDHCPJTTLC-UHFFFAOYSA-N 1 0 357.410 2.638 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3COc4ccccc4[C@H]3O)CC2)cc1 ZINC000808731184 994244752 /nfs/dbraw/zinc/24/47/52/994244752.db2.gz SDQAIHIOEQVWAT-AZUAARDMSA-N 1 0 369.421 2.648 20 5 FFBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H](c2ccccc2)[C@H](O)c2ccccc2)c1 ZINC000808787042 994263488 /nfs/dbraw/zinc/26/34/88/994263488.db2.gz MKDUIZGLASCIQZ-RBUKOAKNSA-N 1 0 352.394 2.856 20 5 FFBDRO O=C(O[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000810844091 994951397 /nfs/dbraw/zinc/95/13/97/994951397.db2.gz ZZGGYGNEJDKQIM-HUUCEWRRSA-N 1 0 356.382 2.564 20 5 FFBDRO CN(CCN1CCOCC1)C(=O)Nc1cc([N+](=O)[O-])ccc1C(C)(C)C ZINC000880706570 1015949992 /nfs/dbraw/zinc/94/99/92/1015949992.db2.gz LWDMXZGLJCYYSL-UHFFFAOYSA-N 1 0 364.446 2.688 20 5 FFBDRO C[C@H]([NH3+])c1ncc(-c2ccccc2)n1-c1ccc([N+](=O)[O-])c2c1CNC2=O ZINC001170687372 995539225 /nfs/dbraw/zinc/53/92/25/995539225.db2.gz IKGDCJULKFGWRB-NSHDSACASA-N 1 0 363.377 2.711 20 5 FFBDRO CC[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H](C)[C@@H](O)c1ccccc1 ZINC000812851779 995554090 /nfs/dbraw/zinc/55/40/90/995554090.db2.gz ZAOFRHXBPWJBEL-RIFZZMRRSA-N 1 0 374.437 2.779 20 5 FFBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)cc1[N+](=O)[O-] ZINC000813330184 995666138 /nfs/dbraw/zinc/66/61/38/995666138.db2.gz UMGOASWIBJZVPR-NEPJUHHUSA-N 1 0 368.393 2.845 20 5 FFBDRO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000823990011 996772888 /nfs/dbraw/zinc/77/28/88/996772888.db2.gz GAUQQLSNMNVWAT-RTBURBONSA-N 1 0 369.421 2.582 20 5 FFBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)[N@@H+]1CCCC[C@H]1C ZINC000825460550 997386705 /nfs/dbraw/zinc/38/67/05/997386705.db2.gz AHPAKNJVZGSREG-OLZOCXBDSA-N 1 0 366.437 2.793 20 5 FFBDRO O=C(CC[NH2+]C[C@H]1COc2ccccc2C1)Nc1ccccc1[N+](=O)[O-] ZINC000844259948 997749209 /nfs/dbraw/zinc/74/92/09/997749209.db2.gz ZNCMHINONISZFV-AWEZNQCLSA-N 1 0 355.394 2.764 20 5 FFBDRO Cc1cc([N+](=O)[O-])nn1Cc1cccc(-c2nc([C@H]3CCC[NH2+]C3)no2)c1 ZINC000844689243 998059799 /nfs/dbraw/zinc/05/97/99/998059799.db2.gz KWADNVGWDGBZEH-HNNXBMFYSA-N 1 0 368.397 2.665 20 5 FFBDRO CN(C(=O)c1cc(F)ccc1[N+](=O)[O-])c1ccc(OCC[NH+](C)C)cc1 ZINC000732003620 998390232 /nfs/dbraw/zinc/39/02/32/998390232.db2.gz BSUJUZMUNHYBKP-UHFFFAOYSA-N 1 0 361.373 2.951 20 5 FFBDRO C[C@@H]1CN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)CC[N@@H+](C2CC2)C1 ZINC000822443961 998874691 /nfs/dbraw/zinc/87/46/91/998874691.db2.gz UBLSSAWWZPCRCB-JTQLQIEISA-N 1 0 355.797 2.944 20 5 FFBDRO C[C@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000823678278 999069256 /nfs/dbraw/zinc/06/92/56/999069256.db2.gz DSXLEZNGICDSJV-OCCSQVGLSA-N 1 0 363.414 2.516 20 5 FFBDRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000738522347 999626786 /nfs/dbraw/zinc/62/67/86/999626786.db2.gz JLZHSQXRTSRGAK-UHFFFAOYSA-N 1 0 360.389 2.650 20 5 FFBDRO Cc1c(C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000741579293 999732434 /nfs/dbraw/zinc/73/24/34/999732434.db2.gz LBKYRFSFRUIMJM-YGRLFVJLSA-N 1 0 364.402 2.532 20 5 FFBDRO C[NH+]1CCC2(CCN2C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 ZINC000742188128 999763430 /nfs/dbraw/zinc/76/34/30/999763430.db2.gz YHHPQJSCJXFBRR-UHFFFAOYSA-N 1 0 358.442 2.505 20 5 FFBDRO COc1ccc(OCCOC(=O)[C@@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000745091359 999892004 /nfs/dbraw/zinc/89/20/04/999892004.db2.gz GMMATVMQCANJCV-HZSPNIEDSA-N 1 0 366.414 2.787 20 5 FFBDRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000746307287 999958416 /nfs/dbraw/zinc/95/84/16/999958416.db2.gz XGCXIVIBCMHHEW-UHFFFAOYSA-N 1 0 368.437 2.834 20 5 FFBDRO Cc1nn(CN2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000766376520 999989880 /nfs/dbraw/zinc/98/98/80/999989880.db2.gz NZJJPPXONHQCEJ-CABCVRRESA-N 1 0 357.458 2.960 20 5 FFBDRO Cc1ncn(-c2ncc([N+](=O)[O-])cc2C(F)(F)F)c1CSCC[NH3+] ZINC001168790889 999993193 /nfs/dbraw/zinc/99/31/93/999993193.db2.gz YLMGBTBXLLXDMJ-UHFFFAOYSA-N 1 0 361.349 2.695 20 5 FFBDRO COC(=O)c1cc(Br)ccc1C[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168984464 1000012406 /nfs/dbraw/zinc/01/24/06/1000012406.db2.gz OHGAFRPIXTURDG-MFKMUULPSA-N 1 0 371.231 2.771 20 5 FFBDRO CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168964466 1000012987 /nfs/dbraw/zinc/01/29/87/1000012987.db2.gz SYJIHVAWHQKELU-IWQYDBTJSA-N 1 0 353.463 2.667 20 5 FFBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C2CCN(Cc3c(F)cccc3F)CC2)C1 ZINC001168997423 1000014259 /nfs/dbraw/zinc/01/42/59/1000014259.db2.gz ZCLSUWRSTDPSHE-UKRRQHHQSA-N 1 0 353.413 2.964 20 5 FFBDRO CC(C)(C)OC(=O)Nc1cccc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)n1 ZINC001169001287 1000014479 /nfs/dbraw/zinc/01/44/79/1000014479.db2.gz FIAKSYCZSYGDBE-OLZOCXBDSA-N 1 0 350.419 2.964 20 5 FFBDRO CC(C)(C)OC(=O)N1CC([C@@H]2CC[N@@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C2)C1 ZINC001169014444 1000015520 /nfs/dbraw/zinc/01/55/20/1000015520.db2.gz ZVDFNZMKEUNOPR-LZWOXQAQSA-N 1 0 353.463 2.621 20 5 FFBDRO CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)C[N@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169011964 1000015574 /nfs/dbraw/zinc/01/55/74/1000015574.db2.gz NYYQCMDXDIIWTO-JONQDZQNSA-N 1 0 353.463 2.621 20 5 FFBDRO CC(C)(C)OC(=O)N1CCC[C@]12CC[N@@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169011814 1000015703 /nfs/dbraw/zinc/01/57/03/1000015703.db2.gz MLGMBZGUDFVQEU-RVKKMQEKSA-N 1 0 353.463 2.907 20 5 FFBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCN(Cc3ccncc3)c3ncccc3C2)C1 ZINC001169019626 1000017512 /nfs/dbraw/zinc/01/75/12/1000017512.db2.gz GYPXVDAEUCDBIS-IEBWSBKVSA-N 1 0 367.453 2.744 20 5 FFBDRO O=C(NCC1CC1)[C@@H]1CCC2(C1)CC[NH+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169026344 1000018256 /nfs/dbraw/zinc/01/82/56/1000018256.db2.gz LETKFEDIAGLSLZ-KURKYZTESA-N 1 0 363.502 2.840 20 5 FFBDRO CC(C)(C)OC(=O)N1CC[C@@H]([N@H+](C2CC2)[C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169048692 1000018675 /nfs/dbraw/zinc/01/86/75/1000018675.db2.gz APTKGIJMMDTWNL-CWRNSKLLSA-N 1 0 353.463 2.906 20 5 FFBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCC(n3cc(Br)cn3)CC2)C1 ZINC001169054615 1000019060 /nfs/dbraw/zinc/01/90/60/1000019060.db2.gz MWRWCKBOBGMADN-FZMZJTMJSA-N 1 0 357.252 2.728 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@H](CO)Cc3ccco3)CC2)cc1 ZINC000768842111 1000367840 /nfs/dbraw/zinc/36/78/40/1000367840.db2.gz QEKLUWYYGAZPDT-OAHLLOKOSA-N 1 0 359.426 2.597 20 5 FFBDRO CC(C)[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@H](O)COc1ccccc1 ZINC000770044654 1000663330 /nfs/dbraw/zinc/66/33/30/1000663330.db2.gz RHXJSRSMLDLSKA-ICSRJNTNSA-N 1 0 374.437 2.779 20 5 FFBDRO CC(=O)Nc1ccc(NCc2ccccc2N2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC001171283407 1000738815 /nfs/dbraw/zinc/73/88/15/1000738815.db2.gz DVKHDIGRCWNOAU-UHFFFAOYSA-N 1 0 369.425 2.575 20 5 FFBDRO [NH3+]Cc1ccc2cn(-c3cnc(Oc4ccc([N+](=O)[O-])cc4)nc3)nc2c1 ZINC001171325135 1001097573 /nfs/dbraw/zinc/09/75/73/1001097573.db2.gz VHCANBOPQXSCSR-UHFFFAOYSA-N 1 0 362.349 2.975 20 5 FFBDRO CC(C)[N@H+](C)[C@@H]1CCN(c2nc(C(F)(F)F)nc(Cl)c2[N+](=O)[O-])C1 ZINC001157021915 1001331771 /nfs/dbraw/zinc/33/17/71/1001331771.db2.gz RZUQGGWEYPEXJV-MRVPVSSYSA-N 1 0 367.759 2.976 20 5 FFBDRO CCNC(=O)C[C@@H]1CCCC[N@@H+]1Cn1nc(C)c2ccc([N+](=O)[O-])cc21 ZINC000789521872 1002107203 /nfs/dbraw/zinc/10/72/03/1002107203.db2.gz UJFZAZBXQLXOGE-AWEZNQCLSA-N 1 0 359.430 2.591 20 5 FFBDRO CC(C)[NH+]1CCC(N2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)CC1 ZINC000749321931 1002165732 /nfs/dbraw/zinc/16/57/32/1002165732.db2.gz QTWKCVZZJLLOHN-UHFFFAOYSA-N 1 0 368.428 2.868 20 5 FFBDRO COCC[N@H+](Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1CC[C@H](C)C1 ZINC000790476743 1002387337 /nfs/dbraw/zinc/38/73/37/1002387337.db2.gz CWGYHTKALOGZIR-YOEHRIQHSA-N 1 0 359.430 2.948 20 5 FFBDRO Cc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)[NH+](C)C)cc1 ZINC000791339041 1002658082 /nfs/dbraw/zinc/65/80/82/1002658082.db2.gz HAZLVRLFLUFMTF-QGZVFWFLSA-N 1 0 360.389 2.657 20 5 FFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000791395343 1002689695 /nfs/dbraw/zinc/68/96/95/1002689695.db2.gz RQTYWCKWLFZGDE-PXAZEXFGSA-N 1 0 372.400 2.566 20 5 FFBDRO C[C@@H]1C[N@@H+](Cc2ccc(CNc3nn(C)cc3[N+](=O)[O-])cc2)C[C@H](C)O1 ZINC001184821716 1002727923 /nfs/dbraw/zinc/72/79/23/1002727923.db2.gz WACXIUSBTJUZIS-OKILXGFUSA-N 1 0 359.430 2.550 20 5 FFBDRO C[C@@H](CNc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC001184839249 1002734470 /nfs/dbraw/zinc/73/44/70/1002734470.db2.gz FOODNWFTRLULNS-KBPBESRZSA-N 1 0 358.442 2.979 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH+]2CCC(Oc3ccc(F)nc3)CC2)cc1 ZINC000792386691 1002993027 /nfs/dbraw/zinc/99/30/27/1002993027.db2.gz ZPUDBMXKKDJTMV-KRWDZBQOSA-N 1 0 361.373 2.706 20 5 FFBDRO COc1ccc(C[C@H](C)[NH2+][C@@H]2Cc3ccccc3NC2=O)c([N+](=O)[O-])c1 ZINC001170296646 1003090213 /nfs/dbraw/zinc/09/02/13/1003090213.db2.gz HFMPJJPELQXQCP-YVEFUNNKSA-N 1 0 355.394 2.687 20 5 FFBDRO COc1ccc(C[C@@H](C)[NH2+]C2CCN(C(=O)C(C)C)CC2)c([N+](=O)[O-])c1 ZINC001170297831 1003091253 /nfs/dbraw/zinc/09/12/53/1003091253.db2.gz TXKVFLZHDAMAQU-CQSZACIVSA-N 1 0 363.458 2.771 20 5 FFBDRO COC(=O)c1cccnc1C[NH2+][C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170315977 1003106774 /nfs/dbraw/zinc/10/67/74/1003106774.db2.gz ZZRPSYDWBZZPEZ-GFCCVEGCSA-N 1 0 359.382 2.506 20 5 FFBDRO COC(=O)CC1CC(C[NH2+][C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170328839 1003114866 /nfs/dbraw/zinc/11/48/66/1003114866.db2.gz WEJBFLIXGASFGC-HSBZDZAISA-N 1 0 350.415 2.713 20 5 FFBDRO COc1ccc(C[C@H](C)[N@@H+]2CC[C@@H](Oc3ncncc3C)C2)c([N+](=O)[O-])c1 ZINC001170355008 1003123041 /nfs/dbraw/zinc/12/30/41/1003123041.db2.gz UIAJYXLOWWALAS-WMLDXEAASA-N 1 0 372.425 2.786 20 5 FFBDRO COc1ccc(C[C@@H](C)[NH+]2CCC3(CCCNC3=O)CC2)c([N+](=O)[O-])c1 ZINC001170345184 1003132188 /nfs/dbraw/zinc/13/21/88/1003132188.db2.gz HQTIPWBOAMCLNW-CQSZACIVSA-N 1 0 361.442 2.527 20 5 FFBDRO COc1ccc(C[C@H](C)[N@@H+]2CCC[C@@H](NC(=O)C(C)C)C2)c([N+](=O)[O-])c1 ZINC001170351483 1003136551 /nfs/dbraw/zinc/13/65/51/1003136551.db2.gz CRLZADSEBUXOJH-GOEBONIOSA-N 1 0 363.458 2.771 20 5 FFBDRO O=C(O[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)c1ccc2c[nH+]cn2c1 ZINC000793171395 1003300394 /nfs/dbraw/zinc/30/03/94/1003300394.db2.gz FQUROFSEFWQYAK-CABCVRRESA-N 1 0 355.354 2.780 20 5 FFBDRO CC[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC001186800331 1003414139 /nfs/dbraw/zinc/41/41/39/1003414139.db2.gz OVXITGYOCCSGGG-LBPRGKRZSA-N 1 0 361.489 2.508 20 5 FFBDRO CCN(CC)C(=O)C[NH+]1CCC(Nc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC001186814487 1003439085 /nfs/dbraw/zinc/43/90/85/1003439085.db2.gz KPIHMIHPLPVQTO-UHFFFAOYSA-N 1 0 368.865 2.993 20 5 FFBDRO CC(C)C[C@H]1C[N@H+](CCCc2ccccc2)CCN1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001273755526 1004415556 /nfs/dbraw/zinc/41/55/56/1004415556.db2.gz FRWJMNBUOYJFKA-XUVXKRRUSA-N 1 0 373.497 2.843 20 5 FFBDRO CCOC(=O)C1=C(Nc2nccc3c2ccc(C)c3[N+](=O)[O-])CC[NH2+]C1 ZINC001170513780 1004462814 /nfs/dbraw/zinc/46/28/14/1004462814.db2.gz ABPCJBAQCGNRLG-UHFFFAOYSA-N 1 0 356.382 2.674 20 5 FFBDRO COc1cccc([C@@H](C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)N(C)C)c1 ZINC000776270232 1005335060 /nfs/dbraw/zinc/33/50/60/1005335060.db2.gz AZTYDPZLTUPNKA-MOPGFXCFSA-N 1 0 359.426 2.529 20 5 FFBDRO COc1cccc([C@H](C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)N(C)C)c1 ZINC000776270233 1005335125 /nfs/dbraw/zinc/33/51/25/1005335125.db2.gz AZTYDPZLTUPNKA-OALUTQOASA-N 1 0 359.426 2.529 20 5 FFBDRO CCN1C[C@@H](C[N@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)Oc2ccccc21 ZINC000776277786 1005336626 /nfs/dbraw/zinc/33/66/26/1005336626.db2.gz SGYFBKCSWIFCGJ-IEBWSBKVSA-N 1 0 371.437 2.848 20 5 FFBDRO C[C@@H](C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)N1CCc2ccccc2C1 ZINC000776277389 1005336982 /nfs/dbraw/zinc/33/69/82/1005336982.db2.gz NXSLRHGXCQYBLB-YWZLYKJASA-N 1 0 355.438 2.665 20 5 FFBDRO COc1ccc(NC(=O)N(C)C2CC[NH+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC001202424019 1005348476 /nfs/dbraw/zinc/34/84/76/1005348476.db2.gz DLEMMEFGPNGROK-UHFFFAOYSA-N 1 0 350.419 2.940 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH+]2CCC(c3nnc4ccccn43)CC2)cc1 ZINC000776581913 1005962780 /nfs/dbraw/zinc/96/27/80/1005962780.db2.gz IYINWVKVYXPLGH-KRWDZBQOSA-N 1 0 367.409 2.551 20 5 FFBDRO CC(=O)c1ccc2c(c1)CC[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000776592939 1006008853 /nfs/dbraw/zinc/00/88/53/1006008853.db2.gz DIRPAAJJFPDALI-HXUWFJFHSA-N 1 0 354.406 2.932 20 5 FFBDRO C[C@@H]1[C@@H](NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC[N@@H+]1Cc1ccccc1 ZINC000813824384 1006046158 /nfs/dbraw/zinc/04/61/58/1006046158.db2.gz YCAFVTAHLDVJSP-PXAZEXFGSA-N 1 0 372.400 2.709 20 5 FFBDRO C[C@@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)CCN1c1cc[nH+]cc1 ZINC000881635762 1006166732 /nfs/dbraw/zinc/16/67/32/1006166732.db2.gz NGMQPGFMHWPSNC-OAHLLOKOSA-N 1 0 354.410 2.660 20 5 FFBDRO C[N@H+](CC1CC1)C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)C1 ZINC000882041733 1006285453 /nfs/dbraw/zinc/28/54/53/1006285453.db2.gz DCFATUKTFYITRL-OAHLLOKOSA-N 1 0 372.469 2.655 20 5 FFBDRO CO[C@@]1(C)C[C@H](N(C)Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)C1(C)C ZINC000853499104 1006414905 /nfs/dbraw/zinc/41/49/05/1006414905.db2.gz IRNCLZAGVWWQEH-YJBOKZPZSA-N 1 0 359.430 2.946 20 5 FFBDRO CC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000853796098 1006539185 /nfs/dbraw/zinc/53/91/85/1006539185.db2.gz RFJKCVQRMUTFTN-SFHVURJKSA-N 1 0 369.421 2.976 20 5 FFBDRO Cc1cc(C(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)c(N)c([N+](=O)[O-])c1 ZINC000111631326 1006544861 /nfs/dbraw/zinc/54/48/61/1006544861.db2.gz BQHBKYRPYICCOK-AWEZNQCLSA-N 1 0 356.426 2.736 20 5 FFBDRO CCc1cc(N2CCC[C@@H]([NH2+][C@@H](C)c3ccc(N)c([N+](=O)[O-])c3)C2)ncn1 ZINC000815592981 1006703378 /nfs/dbraw/zinc/70/33/78/1006703378.db2.gz XKTBCYARXRZLAV-XJKSGUPXSA-N 1 0 370.457 2.849 20 5 FFBDRO C[C@@H]([NH2+][C@@H](C)Cn1ncc2ccccc2c1=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815598998 1006704418 /nfs/dbraw/zinc/70/44/18/1006704418.db2.gz IRDNOOWGAHVTPJ-QWHCGFSZSA-N 1 0 367.409 2.626 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000855166198 1007149362 /nfs/dbraw/zinc/14/93/62/1007149362.db2.gz FHACLQSDWVSFDC-OAHLLOKOSA-N 1 0 360.458 2.798 20 5 FFBDRO C[C@H](NC(=O)N1CCN(c2cc[nH+]cc2)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000884086298 1007226585 /nfs/dbraw/zinc/22/65/85/1007226585.db2.gz UJVUMZHGTVRGDO-CABCVRRESA-N 1 0 369.425 2.971 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NC1CCC([NH+](C)C)CC1 ZINC000817124302 1007434064 /nfs/dbraw/zinc/43/40/64/1007434064.db2.gz CQUAQKKMJMEAFT-UHFFFAOYSA-N 1 0 366.374 2.574 20 5 FFBDRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000884855992 1007578814 /nfs/dbraw/zinc/57/88/14/1007578814.db2.gz WYFKJPDUAUWAIH-CYBMUJFWSA-N 1 0 367.409 2.590 20 5 FFBDRO [NH3+]C[C@H]1Cc2ccccc2N1C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000817878785 1007794216 /nfs/dbraw/zinc/79/42/16/1007794216.db2.gz JIIBVWAHQRQVGJ-MRXNPFEDSA-N 1 0 366.421 2.725 20 5 FFBDRO CC[N@H+](C)Cc1cc(O[C@@H]2CCN(c3ccc([N+](=O)[O-])c(C)n3)C2)ccn1 ZINC000856533273 1007873801 /nfs/dbraw/zinc/87/38/01/1007873801.db2.gz COCZSWMJNNGUPA-QGZVFWFLSA-N 1 0 371.441 2.803 20 5 FFBDRO COc1ccc(CC(=O)N2CCCc3cc(C[NH3+])ccc32)cc1[N+](=O)[O-] ZINC000818552909 1007939547 /nfs/dbraw/zinc/93/95/47/1007939547.db2.gz XAZXBIURFAZNTJ-UHFFFAOYSA-N 1 0 355.394 2.584 20 5 FFBDRO CCc1noc(C[C@]2(O)CCC[N@@H+]([C@@H](C)c3ccccc3[N+](=O)[O-])C2)n1 ZINC000856673833 1007942622 /nfs/dbraw/zinc/94/26/22/1007942622.db2.gz FDBZTELEWFVFQI-SCLBCKFNSA-N 1 0 360.414 2.671 20 5 FFBDRO O=C1CCCN1c1cccc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000818955622 1007993402 /nfs/dbraw/zinc/99/34/02/1007993402.db2.gz BUADKGWJLFJNLH-SFHVURJKSA-N 1 0 355.394 2.545 20 5 FFBDRO Cc1nc2ccccc2n1CCC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818956952 1007994641 /nfs/dbraw/zinc/99/46/41/1007994641.db2.gz CQPGNUMSNBZYTN-LJQANCHMSA-N 1 0 354.410 2.966 20 5 FFBDRO O=C1CCCN1Cc1ccc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000818967863 1008010642 /nfs/dbraw/zinc/01/06/42/1008010642.db2.gz DGNHAFGBYYXRGI-IBGZPJMESA-N 1 0 369.421 2.540 20 5 FFBDRO O=C1CCCCN1c1ccc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000818973068 1008014132 /nfs/dbraw/zinc/01/41/32/1008014132.db2.gz MJINUUWAGQKFPH-LJQANCHMSA-N 1 0 369.421 2.935 20 5 FFBDRO COc1cccc(N2CC[C@H]([NH2+]C[C@H](O)c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000819012191 1008022341 /nfs/dbraw/zinc/02/23/41/1008022341.db2.gz HJBHXQYJYQNHGX-KXBFYZLASA-N 1 0 357.410 2.505 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCOc2ccc(C(F)(F)F)cn2)cc1 ZINC000819161487 1008052703 /nfs/dbraw/zinc/05/27/03/1008052703.db2.gz WTDFLUARXDWMBR-CQSZACIVSA-N 1 0 371.315 2.711 20 5 FFBDRO CC(=O)N1CC[C@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000819191469 1008061702 /nfs/dbraw/zinc/06/17/02/1008061702.db2.gz RCZZGANOOJGJLI-PKOBYXMFSA-N 1 0 355.394 2.716 20 5 FFBDRO C[NH+](C)CCOc1ccc(NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1F ZINC000819491240 1008155108 /nfs/dbraw/zinc/15/51/08/1008155108.db2.gz ANOYLMRMRGKFIN-QGZVFWFLSA-N 1 0 363.389 2.820 20 5 FFBDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000115433109 1008189044 /nfs/dbraw/zinc/18/90/44/1008189044.db2.gz CWMJJPMYJAFVOC-INIZCTEOSA-N 1 0 374.485 2.999 20 5 FFBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2N)C1 ZINC001136409075 1008407328 /nfs/dbraw/zinc/40/73/28/1008407328.db2.gz IOZTWRRHNUFPHM-HIFRSBDPSA-N 1 0 354.410 2.742 20 5 FFBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@H]3CCOC4(CCOCC4)C3)c2c1 ZINC000886118685 1008570706 /nfs/dbraw/zinc/57/07/06/1008570706.db2.gz NPDORZZIHAAFEV-HNNXBMFYSA-N 1 0 359.426 2.936 20 5 FFBDRO Cc1cc([C@@H]([NH3+])Cc2nc(Cc3ccc([N+](=O)[O-])cn3)no2)cc(Cl)n1 ZINC000822863742 1008802147 /nfs/dbraw/zinc/80/21/47/1008802147.db2.gz SWFYMSGBBMTTGR-ZDUSSCGKSA-N 1 0 374.788 2.563 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@H](O)Cc2ccc(F)cc2)n1 ZINC000886677574 1008812629 /nfs/dbraw/zinc/81/26/29/1008812629.db2.gz ZDQPSOPJWUADFZ-IXDOHACOSA-N 1 0 362.405 2.607 20 5 FFBDRO CCC1([NH+]2CCC2)CCN(CC(=O)Nc2c(C)cccc2[N+](=O)[O-])CC1 ZINC000886712479 1008838921 /nfs/dbraw/zinc/83/89/21/1008838921.db2.gz FETPVWHPVKNEJP-UHFFFAOYSA-N 1 0 360.458 2.792 20 5 FFBDRO O=C(NCCCCCC[NH2+]CCc1ccccc1Cl)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001178464684 1008998175 /nfs/dbraw/zinc/99/81/75/1008998175.db2.gz XSWWHLQGBAMLFO-NVXWUHKLSA-N 1 0 367.877 2.814 20 5 FFBDRO C[C@@H]([NH2+][C@@H]1CCc2ccccc2OC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000509520288 1009533608 /nfs/dbraw/zinc/53/36/08/1009533608.db2.gz CHOMXCUOLPDUSM-CZUORRHYSA-N 1 0 355.394 2.905 20 5 FFBDRO CN(C)c1cc(F)c(C(=O)N2CCC([NH2+]C3CCC3)CC2)cc1[N+](=O)[O-] ZINC000889826728 1010141487 /nfs/dbraw/zinc/14/14/87/1010141487.db2.gz XOCIGQYGKIRXQJ-UHFFFAOYSA-N 1 0 364.421 2.547 20 5 FFBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1 ZINC000794589869 1010410044 /nfs/dbraw/zinc/41/00/44/1010410044.db2.gz BUKFSCJKFAHANU-MBNRZODZSA-N 1 0 367.405 2.813 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]Cc2cccc3c2OCCO3)n1 ZINC000774244602 1010541270 /nfs/dbraw/zinc/54/12/70/1010541270.db2.gz QLJXEHYFPAWXSG-LSDHHAIUSA-N 1 0 358.398 2.836 20 5 FFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]Cc2cn(-c3ccccc3)nn2)n1 ZINC000774259292 1010541708 /nfs/dbraw/zinc/54/17/08/1010541708.db2.gz HUTKKRMRADJXJS-IRXDYDNUSA-N 1 0 367.413 2.646 20 5 FFBDRO O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1CN1CC[C@@H](c2ccccc2)C1 ZINC000120273824 1010604121 /nfs/dbraw/zinc/60/41/21/1010604121.db2.gz KOWZEPIJWNJLPY-CQSZACIVSA-N 1 0 351.362 2.638 20 5 FFBDRO Cc1ccc(CN(CC[NH+](C)C)C(=O)Cc2cccc(F)c2[N+](=O)[O-])o1 ZINC000865041309 1010692456 /nfs/dbraw/zinc/69/24/56/1010692456.db2.gz RQJZFGQBEACAGJ-UHFFFAOYSA-N 1 0 363.389 2.768 20 5 FFBDRO CN(C(=O)c1c(F)cccc1[N+](=O)[O-])c1ccc(OCC[NH+](C)C)cc1 ZINC000865699818 1010844253 /nfs/dbraw/zinc/84/42/53/1010844253.db2.gz JAODXSOGUFSWOU-UHFFFAOYSA-N 1 0 361.373 2.951 20 5 FFBDRO O=[N+]([O-])c1cc(CO)c(N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1F ZINC000865742663 1010853298 /nfs/dbraw/zinc/85/32/98/1010853298.db2.gz VGVQCHPRRQTDIC-CALCHBBNSA-N 1 0 371.412 2.794 20 5 FFBDRO CC1([NH+]2CCCC2)CCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1 ZINC000866022227 1010908688 /nfs/dbraw/zinc/90/86/88/1010908688.db2.gz SBAHCXMCJUBMTR-UHFFFAOYSA-N 1 0 358.442 2.934 20 5 FFBDRO C[C@H](C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)CC1(C)OCCO1 ZINC000866426823 1010992200 /nfs/dbraw/zinc/99/22/00/1010992200.db2.gz DZPTWVDDHZYOCH-WMLDXEAASA-N 1 0 374.441 2.797 20 5 FFBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]Cc1ccnc(-n2cncn2)c1)C1CC1 ZINC000866435229 1010995000 /nfs/dbraw/zinc/99/50/00/1010995000.db2.gz JFFRANQIZGQJQI-QGZVFWFLSA-N 1 0 364.409 2.681 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]CCn1nnc3ccccc31)CC2 ZINC001172902336 1012075369 /nfs/dbraw/zinc/07/53/69/1012075369.db2.gz XKKFLDNWBBWMOL-INIZCTEOSA-N 1 0 351.410 2.877 20 5 FFBDRO COC(=O)c1ccc(C[NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)nc1 ZINC001172901682 1012075984 /nfs/dbraw/zinc/07/59/84/1012075984.db2.gz JEUFTYKZLYDIDL-INIZCTEOSA-N 1 0 355.394 2.814 20 5 FFBDRO CN(C)C(=O)N1CCC[C@@H]([NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172903564 1012077768 /nfs/dbraw/zinc/07/77/68/1012077768.db2.gz RFKIFYWANPBNJM-IAGOWNOFSA-N 1 0 360.458 2.578 20 5 FFBDRO COc1ncnc2c1CC[N@@H+]([C@H]1CCc3ccc([N+](=O)[O-])cc3CC1)CC2 ZINC001172908246 1012081139 /nfs/dbraw/zinc/08/11/39/1012081139.db2.gz MXPRSSGKGBPHFW-INIZCTEOSA-N 1 0 368.437 2.742 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CCN3CC(F)(F)C[C@H]3C1)CC2 ZINC001172922469 1012102321 /nfs/dbraw/zinc/10/23/21/1012102321.db2.gz XZYXFOBDQVRXDK-WBVHZDCISA-N 1 0 351.397 2.867 20 5 FFBDRO O=C1NCc2ccccc2[C@H]1[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172912749 1012125610 /nfs/dbraw/zinc/12/56/10/1012125610.db2.gz OZFMVFZKWMMNLV-QFBILLFUSA-N 1 0 351.406 2.803 20 5 FFBDRO C[C@H]([NH3+])c1nccn1C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173006131 1012174290 /nfs/dbraw/zinc/17/42/90/1012174290.db2.gz NBWDTQZHLPJSMY-JTQLQIEISA-N 1 0 351.357 2.931 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(N2CCC([N@@H+]3CCC[C@@H](O)CC3)CC2)c(F)c1 ZINC001173009252 1012176362 /nfs/dbraw/zinc/17/63/62/1012176362.db2.gz AJIHWWKDFDRCRC-CQSZACIVSA-N 1 0 355.385 2.689 20 5 FFBDRO CC1(C)[C@H]([NH2+]C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)C[C@@H]1O ZINC001173008818 1012176560 /nfs/dbraw/zinc/17/65/60/1012176560.db2.gz GYJJZMQRUIPWJS-CABCVRRESA-N 1 0 355.385 2.591 20 5 FFBDRO C[C@@H]1[C@H](CO)CC[N@@H+]1C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173010239 1012179417 /nfs/dbraw/zinc/17/94/17/1012179417.db2.gz OQZMTEOLWMDTFY-NEPJUHHUSA-N 1 0 355.385 2.545 20 5 FFBDRO CN1CCC[C@@H]1C[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173011870 1012182355 /nfs/dbraw/zinc/18/23/55/1012182355.db2.gz MQLMVFSFBJDBPD-CYBMUJFWSA-N 1 0 354.401 2.526 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(N2CCC(N3CC[N@@H+]4CCC[C@H]4C3)CC2)c(F)c1 ZINC001173013389 1012184468 /nfs/dbraw/zinc/18/44/68/1012184468.db2.gz RSZTTZUQVRJJBP-AWEZNQCLSA-N 1 0 366.412 2.622 20 5 FFBDRO COC(=O)C(C)(C)C[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173012698 1012184661 /nfs/dbraw/zinc/18/46/61/1012184661.db2.gz WEWAVIVPRMKZNG-UHFFFAOYSA-N 1 0 371.384 2.631 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@@H]2CCCC3(C2)OCCO3)c1F ZINC001173178583 1012321972 /nfs/dbraw/zinc/32/19/72/1012321972.db2.gz CKXGNFOYBHWGFV-QWHCGFSZSA-N 1 0 368.405 2.949 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]Cc2cnn(CCF)c2)c1F ZINC001173179973 1012322105 /nfs/dbraw/zinc/32/21/05/1012322105.db2.gz ODTLUNPWAPJFLO-NSHDSACASA-N 1 0 354.357 2.629 20 5 FFBDRO CC[C@H]1CN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC[C@@H]1[NH3+] ZINC000647004079 1012332301 /nfs/dbraw/zinc/33/23/01/1012332301.db2.gz GDMRSFVWNDFOHR-YJBOKZPZSA-N 1 0 363.461 2.741 20 5 FFBDRO COC(=O)c1ccc([C@H](CO)[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001173218507 1012351578 /nfs/dbraw/zinc/35/15/78/1012351578.db2.gz BIXFBAVVFHLFQC-UGSOOPFHSA-N 1 0 358.394 2.636 20 5 FFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC1CCN(c2ncccn2)CC1 ZINC001173222124 1012354635 /nfs/dbraw/zinc/35/46/35/1012354635.db2.gz USWFMSDKBWJAAR-HNNXBMFYSA-N 1 0 355.442 2.822 20 5 FFBDRO CCC[C@H](C)[NH2+]C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001173693359 1012902624 /nfs/dbraw/zinc/90/26/24/1012902624.db2.gz MDNBOJXMEADNMH-ZDUSSCGKSA-N 1 0 355.460 2.526 20 5 FFBDRO C[N@@H+]1CC[C@H]2CN(C(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)CC[C@H]21 ZINC000827330624 1017640652 /nfs/dbraw/zinc/64/06/52/1017640652.db2.gz QBULSIVHDZNGPY-XJKSGUPXSA-N 1 0 372.450 2.885 20 5 FFBDRO COCC[NH2+]CCc1cc(-c2ccc(N3CCCC3)c([N+](=O)[O-])c2)no1 ZINC000901398352 1019042732 /nfs/dbraw/zinc/04/27/32/1019042732.db2.gz QARGNDCBCYMTTC-UHFFFAOYSA-N 1 0 360.414 2.629 20 5 FFBDRO O=C(CC[NH2+][C@@H]1CCc2ccccc2OC1)Nc1ccccc1[N+](=O)[O-] ZINC000801574712 1019131264 /nfs/dbraw/zinc/13/12/64/1019131264.db2.gz XHLFQQJSZOBSPV-OAHLLOKOSA-N 1 0 355.394 2.907 20 5 FFBDRO CC1CCC([NH+]2CCN(C(=O)c3cc([N+](=O)[O-])c(F)cc3N)CC2)CC1 ZINC000801902797 1019497151 /nfs/dbraw/zinc/49/71/51/1019497151.db2.gz JLRQFHQSTOSHFS-UHFFFAOYSA-N 1 0 364.421 2.653 20 5 FFBDRO CC(C)c1ccc(C[N@@H+]2CCC3(CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)C2)cc1 ZINC001072725508 1020294508 /nfs/dbraw/zinc/29/45/08/1020294508.db2.gz NTWBHYBOLOHJRO-QZTJIDSGSA-N 1 0 357.454 2.510 20 5 FFBDRO C[NH2+][C@H]1C[C@H](Oc2c(O)cc(C(=O)c3ccc(C)cc3)cc2[N+](=O)[O-])C1 ZINC001217952539 1032915859 /nfs/dbraw/zinc/91/58/59/1032915859.db2.gz ZQTHOTWAXDOIIV-SHTZXODSSA-N 1 0 356.378 2.969 20 5 FFBDRO COc1cc([C@@H](C)[NH2+]C2CCN(C[C@@H]3CCCO3)CC2)cc([N+](=O)[O-])c1 ZINC000903096358 1020674288 /nfs/dbraw/zinc/67/42/88/1020674288.db2.gz BSSKFJZWTWLEJT-KDOFPFPSSA-N 1 0 363.458 2.897 20 5 FFBDRO O=C1NCC2(CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)Oc2ccccc21 ZINC000932047424 1020688344 /nfs/dbraw/zinc/68/83/44/1020688344.db2.gz MOZHSRHRIBWJGQ-UHFFFAOYSA-N 1 0 367.405 2.752 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(c2ccn(C)n2)CC1 ZINC000932143359 1020723405 /nfs/dbraw/zinc/72/34/05/1020723405.db2.gz MDEAPCXUVPGSMI-UHFFFAOYSA-N 1 0 371.441 2.845 20 5 FFBDRO O=[N+]([O-])c1ccc(O[C@@H]2CCC[NH2+]CC2)cc1I ZINC001217993984 1032937938 /nfs/dbraw/zinc/93/79/38/1032937938.db2.gz FEVUYORTSOPUGA-SECBINFHSA-N 1 0 362.167 2.720 20 5 FFBDRO CC[NH+]1CCN(c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3N)cc2)CC1 ZINC000749334008 1020937525 /nfs/dbraw/zinc/93/75/25/1020937525.db2.gz BAOOWVIOECRPKK-UHFFFAOYSA-N 1 0 369.425 2.571 20 5 FFBDRO COc1cccc([C@H](C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)N(C)C)c1 ZINC000749639212 1021017369 /nfs/dbraw/zinc/01/73/69/1021017369.db2.gz NYUJOVXKZZTWGC-OALUTQOASA-N 1 0 359.426 2.529 20 5 FFBDRO CC[C@@H](C)NC(=O)c1cccc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000749676896 1021019644 /nfs/dbraw/zinc/01/96/44/1021019644.db2.gz MZQZMTVFQKIVJZ-AUUYWEPGSA-N 1 0 371.437 2.946 20 5 FFBDRO O=C(C[NH2+][C@H](c1ccncc1)C1CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000934691921 1021351136 /nfs/dbraw/zinc/35/11/36/1021351136.db2.gz NMYJEQNBUYBFCJ-IBGZPJMESA-N 1 0 352.394 2.620 20 5 FFBDRO CC[NH+](CC)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C)CC1 ZINC001116935969 1021497403 /nfs/dbraw/zinc/49/74/03/1021497403.db2.gz SWBKPZBFJBIBNB-UHFFFAOYSA-N 1 0 358.446 2.701 20 5 FFBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C1 ZINC001118913025 1022471168 /nfs/dbraw/zinc/47/11/68/1022471168.db2.gz HZAKGEFNYUKKIY-ZDUSSCGKSA-N 1 0 357.414 2.996 20 5 FFBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3ccccc3)cc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001020140414 1022564528 /nfs/dbraw/zinc/56/45/28/1022564528.db2.gz GMUFTRYMLQOYAF-UAFMIMERSA-N 1 0 365.433 2.756 20 5 FFBDRO O=[N+]([O-])c1cc(O[C@@H]2C[C@H]3CC[NH2+][C@H]3C2)ccc1I ZINC001218253079 1033071244 /nfs/dbraw/zinc/07/12/44/1033071244.db2.gz WMLRZPZVCBKIQQ-UISBYWKRSA-N 1 0 374.178 2.719 20 5 FFBDRO COc1cc(C(=O)N2CCC3(CC2)CC[NH+](C)CC3)cc([N+](=O)[O-])c1C ZINC001119331294 1022694126 /nfs/dbraw/zinc/69/41/26/1022694126.db2.gz WDLNCGUIETXNLL-UHFFFAOYSA-N 1 0 361.442 2.860 20 5 FFBDRO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000779060804 1022736066 /nfs/dbraw/zinc/73/60/66/1022736066.db2.gz FUSXFMJBDPRARE-ZBFHGGJFSA-N 1 0 365.430 2.617 20 5 FFBDRO O=[N+]([O-])c1c(N2CC[C@H](C[NH+]3CCOCC3)C2)cccc1C(F)(F)F ZINC001119406173 1022745463 /nfs/dbraw/zinc/74/54/63/1022745463.db2.gz FKICNYAWJXYFOJ-GFCCVEGCSA-N 1 0 359.348 2.772 20 5 FFBDRO CO[C@]1(C)C[C@H]([N@H+](C)Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C1(C)C ZINC000751935429 1022981520 /nfs/dbraw/zinc/98/15/20/1022981520.db2.gz VXNLYOZSQXXCAF-MAUKXSAKSA-N 1 0 359.430 2.946 20 5 FFBDRO CO[C@@]1(C)C[C@H]([N@H+](C)Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C1(C)C ZINC000751935431 1022982165 /nfs/dbraw/zinc/98/21/65/1022982165.db2.gz VXNLYOZSQXXCAF-YJBOKZPZSA-N 1 0 359.430 2.946 20 5 FFBDRO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC001122317981 1023185983 /nfs/dbraw/zinc/18/59/83/1023185983.db2.gz XDKNMZMLXHQRFR-DLOVCJGASA-N 1 0 355.847 2.679 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC001122323139 1023189126 /nfs/dbraw/zinc/18/91/26/1023189126.db2.gz HRTSWADVYSCQKD-PXAZEXFGSA-N 1 0 367.833 2.760 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N3CC[C@H]4CC[C@]43C[NH3+])cc2[N+](=O)[O-])CC1 ZINC001122410164 1023251059 /nfs/dbraw/zinc/25/10/59/1023251059.db2.gz JNHRQPQTHPFLJQ-UZLBHIALSA-N 1 0 372.469 2.785 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]Cc2ccncc2C(F)(F)F)c1 ZINC001120511389 1023344869 /nfs/dbraw/zinc/34/48/69/1023344869.db2.gz LIYBZOPQHLYYNN-ZDUSSCGKSA-N 1 0 371.315 2.538 20 5 FFBDRO CC(C)Cn1c([C@@H](C)[N+](=O)[O-])nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC001122822981 1023495618 /nfs/dbraw/zinc/49/56/18/1023495618.db2.gz MMKUMGGZSBWJMW-OAHLLOKOSA-N 1 0 366.510 2.828 20 5 FFBDRO O=c1c2cc(O[C@H]3C[NH2+]CCC34CC4)c(O)cc2oc2cccc(O)c12 ZINC001218399261 1033138123 /nfs/dbraw/zinc/13/81/23/1033138123.db2.gz MSIHCOROHGACCU-KRWDZBQOSA-N 1 0 353.374 2.878 20 5 FFBDRO O=c1c2cc(O[C@@H]3C[NH2+]CCC34CC4)c(O)cc2oc2cccc(O)c12 ZINC001218399262 1033138235 /nfs/dbraw/zinc/13/82/35/1033138235.db2.gz MSIHCOROHGACCU-QGZVFWFLSA-N 1 0 353.374 2.878 20 5 FFBDRO O=C1N(C[N@@H+]2CC[C@@H](C3CCOCC3)C2)CCN1c1ccccc1[N+](=O)[O-] ZINC000754786546 1023517719 /nfs/dbraw/zinc/51/77/19/1023517719.db2.gz VROQFGMDRFJRBZ-MRXNPFEDSA-N 1 0 374.441 2.543 20 5 FFBDRO C[C@H](Nc1ccc([N+](=O)[O-])c(OC(C)(C)C)c1)[C@@H]1C[N@H+](C)CCN1C ZINC001120959330 1023544598 /nfs/dbraw/zinc/54/45/98/1023544598.db2.gz IHHWXLLDRPUTAB-BBRMVZONSA-N 1 0 350.463 2.818 20 5 FFBDRO C[C@H]1C[NH2+]CC[C@@H]1Oc1ccc(I)c([N+](=O)[O-])c1 ZINC001218414657 1033146868 /nfs/dbraw/zinc/14/68/68/1033146868.db2.gz MCKYLWYWFYVHJO-UFBFGSQYSA-N 1 0 362.167 2.576 20 5 FFBDRO Cn1c(-c2ccc([N+](=O)[O-])s2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001121268391 1023680312 /nfs/dbraw/zinc/68/03/12/1023680312.db2.gz OUCZKFAQSVGCPY-UHFFFAOYSA-N 1 0 362.459 2.516 20 5 FFBDRO CC(C)(C)OC(=O)c1ccc(O[C@H]2C[NH2+]CCC2(F)F)c([N+](=O)[O-])c1 ZINC001218450934 1033161129 /nfs/dbraw/zinc/16/11/29/1033161129.db2.gz ABIVCHVVHHQOIU-ZDUSSCGKSA-N 1 0 358.341 2.926 20 5 FFBDRO Cc1cc(NC(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)cc([N+](=O)[O-])c1 ZINC001123453989 1023809963 /nfs/dbraw/zinc/80/99/63/1023809963.db2.gz SWYUAWWYIPJTQG-QGZVFWFLSA-N 1 0 362.430 2.668 20 5 FFBDRO COc1cc(O[C@H]2C[NH2+]CC[C@H]2C)c2c(c1)oc1c(O)ccc(O)c1c2=O ZINC001218480578 1033173450 /nfs/dbraw/zinc/17/34/50/1033173450.db2.gz DVUIMVUKRQBMKQ-HWPZZCPQSA-N 1 0 371.389 2.743 20 5 FFBDRO COc1ccc(NC(=O)[C@@H]2C[NH2+]C[C@H]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC001121946626 1024193905 /nfs/dbraw/zinc/19/39/05/1024193905.db2.gz XZJBMUYONRABET-GDBMZVCRSA-N 1 0 355.394 2.620 20 5 FFBDRO [NH3+][C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC[C@H]1C(F)(F)F ZINC001122160373 1024395007 /nfs/dbraw/zinc/39/50/07/1024395007.db2.gz ZOONCMVOWGVFQQ-PSASIEDQSA-N 1 0 351.712 2.600 20 5 FFBDRO Cc1c([N+](=O)[O-])cc(C(=O)NCC[N@@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000193704922 1024643373 /nfs/dbraw/zinc/64/33/73/1024643373.db2.gz BJNDAPMEDNSJFJ-UHFFFAOYSA-N 1 0 372.381 2.673 20 5 FFBDRO COc1cccc(C(=O)N2C[C@@H]([NH+](C)C)Cc3ccccc32)c1[N+](=O)[O-] ZINC000194325571 1024780124 /nfs/dbraw/zinc/78/01/24/1024780124.db2.gz NXCPNUHKDPVXLD-AWEZNQCLSA-N 1 0 355.394 2.737 20 5 FFBDRO COC(=O)[C@@H]1C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]1c1ccccc1 ZINC000839097172 1026588120 /nfs/dbraw/zinc/58/81/20/1026588120.db2.gz DEMGKYZKKXCPBN-QRVBRYPASA-N 1 0 370.405 2.517 20 5 FFBDRO COC(=O)[C@@H]1C[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1c1ccccc1 ZINC000839101362 1026591469 /nfs/dbraw/zinc/59/14/69/1026591469.db2.gz WZJYWPXXVDUSKW-QRVBRYPASA-N 1 0 370.405 2.517 20 5 FFBDRO CC(C)(C)c1nnc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)[nH]1 ZINC000839171282 1026610944 /nfs/dbraw/zinc/61/09/44/1026610944.db2.gz WRAZZAQSVATUNT-UHFFFAOYSA-N 1 0 358.446 2.769 20 5 FFBDRO COC(=O)[C@@]12CC[NH2+][C@H]1CN(c1ccc3ccc4cccnc4c3n1)CC2 ZINC001158635895 1027081552 /nfs/dbraw/zinc/08/15/52/1027081552.db2.gz JNORUPOPABVZIM-HRAATJIYSA-N 1 0 362.433 2.514 20 5 FFBDRO C[C@]1(C[NH3+])CCCN(c2nc(C(F)(F)F)nc(Cl)c2[N+](=O)[O-])C1 ZINC001158684450 1027093823 /nfs/dbraw/zinc/09/38/23/1027093823.db2.gz PQIXXTHQLKUCBJ-LLVKDONJSA-N 1 0 353.732 2.622 20 5 FFBDRO [NH3+]Cc1ccc2nnn(-c3nc4ccccc4c(Cl)c3[N+](=O)[O-])c2c1 ZINC001159026294 1027237100 /nfs/dbraw/zinc/23/71/00/1027237100.db2.gz GOEZESLVIHQYJR-UHFFFAOYSA-N 1 0 354.757 2.989 20 5 FFBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001159187696 1027301150 /nfs/dbraw/zinc/30/11/50/1027301150.db2.gz CCYCYSMUCQMXGL-XDSKUXDFSA-N 1 0 363.417 2.855 20 5 FFBDRO O=[N+]([O-])c1ccc2ncnc(NCc3ccccc3N3CC[NH2+]CC3)c2c1 ZINC001160109725 1027594990 /nfs/dbraw/zinc/59/49/90/1027594990.db2.gz OCJPAROGIKJCHJ-UHFFFAOYSA-N 1 0 364.409 2.560 20 5 FFBDRO COc1nc(-n2cc(C(C)(C)C[NH3+])c3ccccc32)nc(OC)c1[N+](=O)[O-] ZINC001160843134 1027896499 /nfs/dbraw/zinc/89/64/99/1027896499.db2.gz PPRJZGYJVNEEQW-UHFFFAOYSA-N 1 0 371.397 2.582 20 5 FFBDRO N=c1nc([C@H]2CCC[NH2+]2)ccn1C(=O)c1cccc2nc3ccccc3nc21 ZINC001153866782 1028035406 /nfs/dbraw/zinc/03/54/06/1028035406.db2.gz RKPBETFFUBPVHV-CQSZACIVSA-N 1 0 370.416 2.572 20 5 FFBDRO COCCC1(CNc2ccc([N+](=O)[O-])c(OC(C)C)n2)CC[NH2+]CC1 ZINC001161503222 1028204415 /nfs/dbraw/zinc/20/44/15/1028204415.db2.gz XFKZMCWNBADUMW-UHFFFAOYSA-N 1 0 352.435 2.595 20 5 FFBDRO COc1cccc(CC2([NH3+])CCN(c3ccc([N+](=O)[O-])c(C)n3)CC2)c1 ZINC001162044858 1028411403 /nfs/dbraw/zinc/41/14/03/1028411403.db2.gz BIISMOJHBSEQHG-UHFFFAOYSA-N 1 0 356.426 2.847 20 5 FFBDRO COc1ccc(OC)c([C@H](O)C[N@H+](C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000796110450 1028473656 /nfs/dbraw/zinc/47/36/56/1028473656.db2.gz CWGALJCHDYRLFV-GOSISDBHSA-N 1 0 360.410 2.820 20 5 FFBDRO [NH3+]Cc1cn(-c2nnc(-c3ccccc3[N+](=O)[O-])cc2C(F)(F)F)cn1 ZINC001162298371 1028494416 /nfs/dbraw/zinc/49/44/16/1028494416.db2.gz GKTQWZYJGZYAJY-UHFFFAOYSA-N 1 0 364.287 2.715 20 5 FFBDRO CCOC1(OCC)CC[NH2+]C[C@H]1Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC001162725088 1028633786 /nfs/dbraw/zinc/63/37/86/1028633786.db2.gz JFLDOKKBOTZYSF-MRXNPFEDSA-N 1 0 360.414 2.686 20 5 FFBDRO CCOc1cc([N+](=O)[O-])ccc1N[C@H]1C[NH2+]CCC1(OCC)OCC ZINC001162733546 1028638427 /nfs/dbraw/zinc/63/84/27/1028638427.db2.gz OHNRKJAFCSOFKO-INIZCTEOSA-N 1 0 353.419 2.537 20 5 FFBDRO [NH3+][C@H]1COC[C@H]1Nc1nc2ccsc2c(Oc2cccc([N+](=O)[O-])c2)n1 ZINC001162916825 1028710158 /nfs/dbraw/zinc/71/01/58/1028710158.db2.gz FMQWDQIMIYEBRR-WCQYABFASA-N 1 0 373.394 2.530 20 5 FFBDRO C[C@H](CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)[NH+]1CCCCC1 ZINC000780763423 1028800294 /nfs/dbraw/zinc/80/02/94/1028800294.db2.gz BZCASKLTVYQNMG-CRAIPNDOSA-N 1 0 357.458 2.882 20 5 FFBDRO COC(=O)c1ccc([C@@H]([NH3+])CNc2nccc(Cl)c2[N+](=O)[O-])cc1 ZINC001163463090 1028936052 /nfs/dbraw/zinc/93/60/52/1028936052.db2.gz XSHWEASDMLECJO-LBPRGKRZSA-N 1 0 350.762 2.542 20 5 FFBDRO CN(C)/C=C/c1cc(N2CC[NH2+]C[C@H]2c2cccs2)ncc1[N+](=O)[O-] ZINC001156109728 1029050882 /nfs/dbraw/zinc/05/08/82/1029050882.db2.gz DVAFATSTSCXOOM-ZKKXHLJNSA-N 1 0 359.455 2.735 20 5 FFBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001156318187 1029143409 /nfs/dbraw/zinc/14/34/09/1029143409.db2.gz QBMZISQPEFCCKX-OKZBNKHCSA-N 1 0 368.437 2.859 20 5 FFBDRO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1N(C)c1cc([N+](=O)[O-])cc[n+]1[O-] ZINC001156332114 1029149950 /nfs/dbraw/zinc/14/99/50/1029149950.db2.gz DJOKKRVZWNATSW-YJBOKZPZSA-N 1 0 356.426 2.575 20 5 FFBDRO CS(=O)(=O)N(c1cccc(C[NH3+])c1)c1nc2ccccc2cc1[N+](=O)[O-] ZINC001156489226 1029214024 /nfs/dbraw/zinc/21/40/24/1029214024.db2.gz GVSWYRGAMYMCFJ-UHFFFAOYSA-N 1 0 372.406 2.699 20 5 FFBDRO [NH3+][C@@H]1CCN(c2cnc(Cl)nc2Sc2ccc([N+](=O)[O-])cc2)C1 ZINC001164281076 1029231243 /nfs/dbraw/zinc/23/12/43/1029231243.db2.gz QJLDPZDUAVITHS-SECBINFHSA-N 1 0 351.819 2.727 20 5 FFBDRO CSc1nc(Cl)c([N+](=O)[O-])c(-n2ccc3cc(C[NH3+])cnc32)n1 ZINC001156593998 1029261553 /nfs/dbraw/zinc/26/15/53/1029261553.db2.gz UANOJWIKKOUBDP-UHFFFAOYSA-N 1 0 350.791 2.558 20 5 FFBDRO Cn1cc(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc([N+](=O)[O-])c1=O ZINC001164491802 1029298684 /nfs/dbraw/zinc/29/86/84/1029298684.db2.gz GKNLCTLIEWJBHX-RYQLBKOJSA-N 1 0 368.437 2.616 20 5 FFBDRO CC(C)(C)OC(=O)C1(Nc2ncc([N+](=O)[O-])cc2F)CCC([NH3+])CC1 ZINC001156800577 1029352222 /nfs/dbraw/zinc/35/22/22/1029352222.db2.gz PORYLOXOIFSHGA-UHFFFAOYSA-N 1 0 354.382 2.523 20 5 FFBDRO CC(C)(C)OC(=O)C1(Nc2ncc(F)cc2[N+](=O)[O-])CCC([NH3+])CC1 ZINC001156800760 1029353274 /nfs/dbraw/zinc/35/32/74/1029353274.db2.gz UDLZSSQCZZDGOX-UHFFFAOYSA-N 1 0 354.382 2.523 20 5 FFBDRO C[NH+](C)C[C@@H]1CCCN1c1nc(C(F)(F)F)nc(Cl)c1[N+](=O)[O-] ZINC001165073631 1029361862 /nfs/dbraw/zinc/36/18/62/1029361862.db2.gz DFCQIRMQACRKLI-ZETCQYMHSA-N 1 0 353.732 2.587 20 5 FFBDRO COc1cc(N2C[C@H]3CC[N@H+](Cc4ccccc4)[C@H]3C2)ncc1[N+](=O)[O-] ZINC001165086718 1029374831 /nfs/dbraw/zinc/37/48/31/1029374831.db2.gz OBMGJZQUKRTGPO-WBVHZDCISA-N 1 0 354.410 2.709 20 5 FFBDRO [NH3+]Cc1nn(-c2cc([N+](=O)[O-])cc3c(Cl)ncnc32)c2ccccc12 ZINC001156864401 1029382782 /nfs/dbraw/zinc/38/27/82/1029382782.db2.gz HFLHGWDNQPWRDM-UHFFFAOYSA-N 1 0 354.757 2.989 20 5 FFBDRO O=[N+]([O-])c1cccc2ncnc(N3CC4(C3)C[NH+](Cc3ccccc3)C4)c21 ZINC001165123860 1029407299 /nfs/dbraw/zinc/40/72/99/1029407299.db2.gz GCJQVPONAUQQIG-UHFFFAOYSA-N 1 0 361.405 2.860 20 5 FFBDRO Cc1cc(Cl)c([N+](=O)[O-])c(-n2nc(-c3ccccc3)nc2CC[NH3+])n1 ZINC001157895722 1029680954 /nfs/dbraw/zinc/68/09/54/1029680954.db2.gz POAMCCIMTLFBER-UHFFFAOYSA-N 1 0 358.789 2.701 20 5 FFBDRO C[C@@](CO)([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)c1ccccc1 ZINC000782496989 1029721394 /nfs/dbraw/zinc/72/13/94/1029721394.db2.gz YVQXGWDFYNUNFD-SFHVURJKSA-N 1 0 361.373 2.560 20 5 FFBDRO COC(=O)c1cnc(N[C@@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)c([N+](=O)[O-])c1 ZINC001158266905 1029779125 /nfs/dbraw/zinc/77/91/25/1029779125.db2.gz NLBWIUWCGMJVKH-SJKOYZFVSA-N 1 0 350.419 2.732 20 5 FFBDRO O=[N+]([O-])c1c(Cl)cc(Cl)nc1N1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001158309052 1029793537 /nfs/dbraw/zinc/79/35/37/1029793537.db2.gz AGGIOEXTIZWLSW-JTQLQIEISA-N 1 0 361.229 2.598 20 5 FFBDRO C[C@H]([NH2+][C@H]1CCN(c2ccc(F)cc2)C1=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000840882170 1029903675 /nfs/dbraw/zinc/90/36/75/1029903675.db2.gz MRBZBAGNQRFVSP-ZBEGNZNMSA-N 1 0 358.373 2.772 20 5 FFBDRO COc1cnc(N2[C@@H](C(F)(F)F)CCC23CC[NH2+]CC3)c([N+](=O)[O-])c1 ZINC001165304127 1029938056 /nfs/dbraw/zinc/93/80/56/1029938056.db2.gz MUDSLDGQOHMRDZ-GFCCVEGCSA-N 1 0 360.336 2.652 20 5 FFBDRO [NH3+]C1([C@H]2CN(c3cc([N+](=O)[O-])cc4c(Cl)ncnc43)C[C@@H]2CF)CC1 ZINC001165432788 1029979797 /nfs/dbraw/zinc/97/97/97/1029979797.db2.gz HCHBXHWZRSBYQI-CABZTGNLSA-N 1 0 365.796 2.705 20 5 FFBDRO CC(C)(C)N(c1ncc(F)cc1[N+](=O)[O-])[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001165669841 1030075959 /nfs/dbraw/zinc/07/59/59/1030075959.db2.gz NLTMQMJBGLKHNA-ZDUSSCGKSA-N 1 0 352.410 2.645 20 5 FFBDRO [NH2+]=c1ccc2nc3c(cc(NC(=O)Cn4nccn4)c4ccccc43)oc-2c1 ZINC001142193964 1030133581 /nfs/dbraw/zinc/13/35/81/1030133581.db2.gz RLIZGQFWRIVEAX-UHFFFAOYSA-N 1 0 370.372 2.795 20 5 FFBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)C1 ZINC001142303915 1030288474 /nfs/dbraw/zinc/28/84/74/1030288474.db2.gz WQFDCPSJKCYXSA-JQWIXIFHSA-N 1 0 363.805 2.537 20 5 FFBDRO Cc1ccnc(N(c2ccccn2)[C@@H]2C[NH2+]C[C@@H]3CCCO[C@H]23)c1[N+](=O)[O-] ZINC001166297867 1030350857 /nfs/dbraw/zinc/35/08/57/1030350857.db2.gz URCIKYDIDGJPOW-DAYGRLMNSA-N 1 0 369.425 2.598 20 5 FFBDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001166653244 1030469420 /nfs/dbraw/zinc/46/94/20/1030469420.db2.gz KPQJOZSKUNLIHC-AWEZNQCLSA-N 1 0 371.441 2.835 20 5 FFBDRO Cc1ccc([C@@H](C)NC(=O)NCc2ccc(CC[NH3+])cc2)cc1[N+](=O)[O-] ZINC000841852506 1030502954 /nfs/dbraw/zinc/50/29/54/1030502954.db2.gz LUXKEAUWQSVKJX-CQSZACIVSA-N 1 0 356.426 2.965 20 5 FFBDRO O=[N+]([O-])c1cccc(N2CC[NH+](CCN3CCc4ccccc43)CC2)c1 ZINC001167017246 1030612753 /nfs/dbraw/zinc/61/27/53/1030612753.db2.gz YNBQSJBNIBMJTP-UHFFFAOYSA-N 1 0 352.438 2.780 20 5 FFBDRO CN(C(=O)[C@@H]1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1)c1ccccc1 ZINC000797530174 1031143852 /nfs/dbraw/zinc/14/38/52/1031143852.db2.gz PQLFLRLONXYTLZ-APWZRJJASA-N 1 0 369.421 2.613 20 5 FFBDRO CC(C)Oc1cccc([C@@H](O)C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000843083492 1031178435 /nfs/dbraw/zinc/17/84/35/1031178435.db2.gz YCSUPEZDSDHLSS-OALUTQOASA-N 1 0 360.410 2.739 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(Cc2noc(C[C@@H](C)[C@H]3CCC[NH2+]C3)n2)c1 ZINC000843222215 1031253371 /nfs/dbraw/zinc/25/33/71/1031253371.db2.gz DXERMQUMVFMPNH-OLZOCXBDSA-N 1 0 360.414 2.755 20 5 FFBDRO [NH3+][C@H]1CCN([C@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)C1 ZINC000843346728 1031338171 /nfs/dbraw/zinc/33/81/71/1031338171.db2.gz UBPAQWWQGHAXQM-GUYCJALGSA-N 1 0 374.828 2.961 20 5 FFBDRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000843451784 1031408788 /nfs/dbraw/zinc/40/87/88/1031408788.db2.gz YTHAXMWENOPVQS-ALOPSCKCSA-N 1 0 372.469 2.682 20 5 FFBDRO O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000843486884 1031425286 /nfs/dbraw/zinc/42/52/86/1031425286.db2.gz WVWMBCFUFKATOD-JKSUJKDBSA-N 1 0 372.469 2.657 20 5 FFBDRO C[NH+](C)[C@@H]1C[C@@H](NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C12CCC2 ZINC001149205743 1031457552 /nfs/dbraw/zinc/45/75/52/1031457552.db2.gz NEDVKGCLHWZDJG-CHWSQXEVSA-N 1 0 355.797 2.990 20 5 FFBDRO Cc1ccc(C)c(C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCCCC2)c1 ZINC001115529233 1031786672 /nfs/dbraw/zinc/78/66/72/1031786672.db2.gz HMLZWDVELBCCER-QZTJIDSGSA-N 1 0 359.470 2.877 20 5 FFBDRO O=C(NCC1([NH2+]Cc2ccc(Cl)s2)CCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001115530849 1031789068 /nfs/dbraw/zinc/78/90/68/1031789068.db2.gz VCHMFGDSFUXXBZ-CHWSQXEVSA-N 1 0 371.890 2.975 20 5 FFBDRO C[N+](C)(C)C[C@H](O)CC(=O)OCc1c2ccccc2nc2ccccc21 ZINC001223334991 1033398850 /nfs/dbraw/zinc/39/88/50/1033398850.db2.gz LPFKWBHGOXZYED-OAHLLOKOSA-N 1 0 353.442 2.888 20 5 FFBDRO O=C(NCc1ccccc1)[C@H]1CC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000830195824 1033503632 /nfs/dbraw/zinc/50/36/32/1033503632.db2.gz KDXZPHFLWBCSDF-HNNXBMFYSA-N 1 0 357.385 2.872 20 5 FFBDRO COc1ccc(COC[C@@H]2CCC3(CC[NH+](C)CC3)O2)cc1[N+](=O)[O-] ZINC001223650323 1033535550 /nfs/dbraw/zinc/53/55/50/1033535550.db2.gz DWXGTKRNKLYVML-HNNXBMFYSA-N 1 0 350.415 2.763 20 5 FFBDRO C[N@H+](Cc1ccccc1)C1(CNC(=O)c2ccc([N+](=O)[O-])o2)CCOCC1 ZINC000831609283 1034156234 /nfs/dbraw/zinc/15/62/34/1034156234.db2.gz BQAQMERSFNVIEC-UHFFFAOYSA-N 1 0 373.409 2.599 20 5 FFBDRO C[NH+]1CCC2(CCCN(C(=O)CCC(=O)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000831723215 1034243093 /nfs/dbraw/zinc/24/30/93/1034243093.db2.gz LMWHRFLKTBKAPS-UHFFFAOYSA-N 1 0 373.453 2.892 20 5 FFBDRO CC(C)(C)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CC1 ZINC001226062818 1034510938 /nfs/dbraw/zinc/51/09/38/1034510938.db2.gz ILNDWIDQNSGPGO-UHFFFAOYSA-N 1 0 356.444 2.640 20 5 FFBDRO NC(=O)c1cc([N+](=O)[O-])ccc1O[C@@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC001226173498 1034558538 /nfs/dbraw/zinc/55/85/38/1034558538.db2.gz SWWDHBKRUPJCQQ-OAHLLOKOSA-N 1 0 373.384 2.876 20 5 FFBDRO COc1cc(O[C@@H]2CCC[N@@H+]([C@H](C)c3ccccn3)C2)ncc1[N+](=O)[O-] ZINC001226579774 1034745585 /nfs/dbraw/zinc/74/55/85/1034745585.db2.gz USSPUCPGHXOVEC-ZIAGYGMSSA-N 1 0 358.398 2.998 20 5 FFBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)CC1 ZINC000832731912 1034930105 /nfs/dbraw/zinc/93/01/05/1034930105.db2.gz WIAKJCJGTVDZMW-WMLDXEAASA-N 1 0 360.458 2.640 20 5 FFBDRO O=[N+]([O-])c1cnc(O[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001227108097 1034937845 /nfs/dbraw/zinc/93/78/45/1034937845.db2.gz JRGCIWUKZUYQLV-OAHLLOKOSA-N 1 0 358.354 2.941 20 5 FFBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)CC1 ZINC000834314909 1035361092 /nfs/dbraw/zinc/36/10/92/1035361092.db2.gz ROYHDINRSJRRGN-HNAYVOBHSA-N 1 0 372.469 2.607 20 5 FFBDRO COC(=O)c1ccc(O[C@@H]2CC[N@@H+]([C@H](C)c3ccccn3)C2)c([N+](=O)[O-])c1 ZINC001227297306 1035498418 /nfs/dbraw/zinc/49/84/18/1035498418.db2.gz CFGBSBCIKGQLBQ-UKRRQHHQSA-N 1 0 371.393 2.991 20 5 FFBDRO CC[N@@H+]1CC[C@H](Oc2c3nccc4c5ccccc5n(c43)c(=O)c2OC)C1 ZINC001234718999 1037155157 /nfs/dbraw/zinc/15/51/57/1037155157.db2.gz WOZCBZIVTRBZQH-ZDUSSCGKSA-N 1 0 363.417 2.920 20 5 FFBDRO C[C@H](C[N+](C)(C)C)Oc1c(O)ccc2c(=O)c3c(O)cc(O)cc3oc21 ZINC001234749918 1037166772 /nfs/dbraw/zinc/16/67/72/1037166772.db2.gz GJRCRTVXMJFHLU-SNVBAGLBSA-O 1 0 360.386 2.537 20 5 FFBDRO CCCN1CCO[C@@H]2c3cc(O[C@H](C[N+](=O)[O-])C4CC4)ccc3OC[C@H]21 ZINC001230427372 1037277158 /nfs/dbraw/zinc/27/71/58/1037277158.db2.gz NXSNPTIGWNJWAU-BHIYHBOVSA-N 1 0 362.426 2.665 20 5 FFBDRO CC(=O)O[C@@H]1C[C@@H]2C[C@H](Oc3cccc(Cl)c3[N+](=O)[O-])C[C@H]1[N@@H+]2C ZINC001230915312 1037405182 /nfs/dbraw/zinc/40/51/82/1037405182.db2.gz PNXZYKSFSXJVPU-HTTKSJEASA-N 1 0 354.790 2.794 20 5 FFBDRO NC(=O)[C@H]1C[N@H+](Cc2c3ccccc3c3cc4ccccc4oc2-3)CCN1 ZINC001235753659 1037725569 /nfs/dbraw/zinc/72/55/69/1037725569.db2.gz AGGUDZBZBBYQRL-LJQANCHMSA-N 1 0 359.429 2.950 20 5 FFBDRO COC(=O)COc1ccc(C[N@H+](C)[C@H]2CC[C@@H](SC)C2)cc1[N+](=O)[O-] ZINC001255648838 1038101277 /nfs/dbraw/zinc/10/12/77/1038101277.db2.gz KNKDZHRVQCSYPC-UONOGXRCSA-N 1 0 368.455 2.863 20 5 FFBDRO COc1cc(N2CCC([NH2+][C@@H](C)c3cncnc3)CC2)ccc1[N+](=O)[O-] ZINC001256087173 1038372586 /nfs/dbraw/zinc/37/25/86/1038372586.db2.gz QYSDYULWHKJLFD-ZDUSSCGKSA-N 1 0 357.414 2.713 20 5 FFBDRO CCCC[C@@H](CO)[NH2+]C1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC001256087336 1038373590 /nfs/dbraw/zinc/37/35/90/1038373590.db2.gz XEXNDICGYRXFCK-HNNXBMFYSA-N 1 0 351.447 2.713 20 5 FFBDRO COc1cc(N2CCC([N@@H+]3CCC[C@](C)(O)CC3)CC2)ccc1[N+](=O)[O-] ZINC001256092946 1038377515 /nfs/dbraw/zinc/37/75/15/1038377515.db2.gz BTHQBGBBDLZDSI-IBGZPJMESA-N 1 0 363.458 2.809 20 5 FFBDRO COc1cc(N2CCC([N@@H+]3CC[C@@H](C)[C@@H](O)CC3)CC2)ccc1[N+](=O)[O-] ZINC001256092914 1038377541 /nfs/dbraw/zinc/37/75/41/1038377541.db2.gz BAVBIQLQVUHDCF-KDOFPFPSSA-N 1 0 363.458 2.665 20 5 FFBDRO COc1cc(N2CCC([N@@H+]3CCCC[C@@](C)(O)C3)CC2)ccc1[N+](=O)[O-] ZINC001256093227 1038378763 /nfs/dbraw/zinc/37/87/63/1038378763.db2.gz IIIMGRMMOHYWMG-LJQANCHMSA-N 1 0 363.458 2.809 20 5 FFBDRO COc1cc(N2CCC([NH2+][C@@H]3CCN(C)C[C@@H]3C)CC2)ccc1[N+](=O)[O-] ZINC001256094099 1038379523 /nfs/dbraw/zinc/37/95/23/1038379523.db2.gz GLKVUSRFMHFCRX-WMLDXEAASA-N 1 0 362.474 2.502 20 5 FFBDRO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)O[C@H](C)C[N+](=O)[O-])C1 ZINC000814047901 1038972955 /nfs/dbraw/zinc/97/29/55/1038972955.db2.gz YUGBGGPTMPYNII-CQSZACIVSA-N 1 0 359.426 2.616 20 5 FFBDRO Cc1cc(-c2nnc(CC[NH+]3C[C@@H](C)O[C@H](C)C3)o2)cc(C)c1[N+](=O)[O-] ZINC001258019424 1039117783 /nfs/dbraw/zinc/11/77/83/1039117783.db2.gz NQKQDWFFKNOPEB-ZIAGYGMSSA-N 1 0 360.414 2.913 20 5 FFBDRO C[C@@H]1C[N@@H+](CCc2nnc(-c3cc(F)c([N+](=O)[O-])cc3F)o2)C[C@H](C)O1 ZINC001258138979 1039219115 /nfs/dbraw/zinc/21/91/15/1039219115.db2.gz PQGZBPOWGJOIMF-AOOOYVTPSA-N 1 0 368.340 2.575 20 5 FFBDRO C[C@H]1C[NH+](CCc2nnc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C[C@H](C)O1 ZINC001258139705 1039221599 /nfs/dbraw/zinc/22/15/99/1039221599.db2.gz VSHWYACCYSVMQO-QWRGUYRKSA-N 1 0 366.805 2.950 20 5 FFBDRO CC(=O)N1CCN(c2cc[nH+]cc2Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC001211288039 1040063491 /nfs/dbraw/zinc/06/34/91/1040063491.db2.gz BWHRCPSHVKASLU-UHFFFAOYSA-N 1 0 355.398 2.710 20 5 FFBDRO COc1ccc(-c2noc(C[C@H]([NH3+])Cc3ccc([N+](=O)[O-])cc3)n2)cc1F ZINC001248216176 1040177577 /nfs/dbraw/zinc/17/75/77/1040177577.db2.gz NCGPLNPYPFTQLS-CYBMUJFWSA-N 1 0 372.356 2.905 20 5 FFBDRO CN1C[C@@]2(CC1=O)CCCC[N@@H+]2C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254473826 1040738709 /nfs/dbraw/zinc/73/87/09/1040738709.db2.gz CCUPOUPAEGDSMR-FQEVSTJZSA-N 1 0 372.469 2.650 20 5 FFBDRO CCOC(=O)C1CC[NH+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001254474184 1040739979 /nfs/dbraw/zinc/73/99/79/1040739979.db2.gz NNMOJIWFMZUMBO-UHFFFAOYSA-N 1 0 361.442 2.839 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])n1cc(C[C@H]([NH3+])C(N)=O)c2ccccc21 ZINC001254537391 1040787047 /nfs/dbraw/zinc/78/70/47/1040787047.db2.gz DFEPEAAVIPFHPU-GUYCJALGSA-N 1 0 366.421 2.708 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CC[N@H+](Cc2ccccc2)[C@H](CO)C1 ZINC001254550986 1040791629 /nfs/dbraw/zinc/79/16/29/1040791629.db2.gz UXMUGNRTCIOWSM-PXNSSMCTSA-N 1 0 369.465 2.705 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1C[C@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC001254560957 1040799337 /nfs/dbraw/zinc/79/93/37/1040799337.db2.gz IOPSDROTWBMVTC-QRQLOZEOSA-N 1 0 366.465 2.985 20 5 FFBDRO C[C@H]([NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1ccc(S(C)(=O)=O)cc1 ZINC001254566939 1040802471 /nfs/dbraw/zinc/80/24/71/1040802471.db2.gz LIUDOZZGOADTCM-BLLLJJGKSA-N 1 0 360.435 2.816 20 5 FFBDRO COc1cc(N([C@H](C)Cc2ccccc2[N+](=O)[O-])C2CC[NH2+]CC2)ncn1 ZINC001254569684 1040806636 /nfs/dbraw/zinc/80/66/36/1040806636.db2.gz JTWYXJMSSCOLHR-CQSZACIVSA-N 1 0 371.441 2.583 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])n1ccc2c1ncnc2N1CC[NH2+]CC1 ZINC001254571615 1040808237 /nfs/dbraw/zinc/80/82/37/1040808237.db2.gz YZDGVXQNDSEMFP-AWEZNQCLSA-N 1 0 366.425 2.553 20 5 FFBDRO CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254572897 1040810456 /nfs/dbraw/zinc/81/04/56/1040810456.db2.gz UUBGYXNWQVWDPJ-DOXZYTNZSA-N 1 0 359.426 2.661 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]C[C@@H]1CN(c3ccccc3)CCO1)C2 ZINC001254578175 1040811695 /nfs/dbraw/zinc/81/16/95/1040811695.db2.gz BCBKWDFSOYYZDG-YLJYHZDGSA-N 1 0 353.422 2.557 20 5 FFBDRO COc1ccc(CN2CC[C@H]([NH2+][C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)cc1 ZINC001254584243 1040817284 /nfs/dbraw/zinc/81/72/84/1040817284.db2.gz GLNWDEGZNQCHEF-OALUTQOASA-N 1 0 367.449 2.935 20 5 FFBDRO CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@@H]([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254589851 1040819481 /nfs/dbraw/zinc/81/94/81/1040819481.db2.gz SGAQFCINOCOYFN-MVJTYMMSSA-N 1 0 373.453 2.907 20 5 FFBDRO COCC[C@@H]1CO[C@]2(C1)CCC[N@@H+]([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254595263 1040824477 /nfs/dbraw/zinc/82/44/77/1040824477.db2.gz HZNKYTAZIFEJHK-BEVDRBHNSA-N 1 0 360.454 2.970 20 5 FFBDRO O=C(NC1CCC1)[C@H]1C[C@H]2C[N@@H+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@H]2C1 ZINC001254595470 1040825185 /nfs/dbraw/zinc/82/51/85/1040825185.db2.gz KARDGEQUQUQKPQ-PDOICOKGSA-N 1 0 369.465 2.689 20 5 FFBDRO CC(C)Oc1ncnc2c1CC[N@@H+]([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)CC2 ZINC001254597594 1040826735 /nfs/dbraw/zinc/82/67/35/1040826735.db2.gz TWDNACCMJJHNQO-QGZVFWFLSA-N 1 0 368.437 2.740 20 5 FFBDRO Cc1ccnc(O[C@H]2CCC[N@@H+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)n1 ZINC001254610865 1040840182 /nfs/dbraw/zinc/84/01/82/1040840182.db2.gz MMJYSWPXUFCDSQ-ROUUACIJSA-N 1 0 354.410 2.704 20 5 FFBDRO Cc1ccc(Nc2ccc(N3CC[NH+](CCO)CC3)cc2)c([N+](=O)[O-])c1 ZINC001214172089 1041288695 /nfs/dbraw/zinc/28/86/95/1041288695.db2.gz SMKNFRMMVFDFKN-UHFFFAOYSA-N 1 0 356.426 2.761 20 5 FFBDRO CN1CC[C@@H]([NH2+]CCCNC(=O)c2c3ccccc3nc3ccccc32)C1 ZINC001255425373 1041335032 /nfs/dbraw/zinc/33/50/32/1041335032.db2.gz FJIKDKTVBJPTMU-MRXNPFEDSA-N 1 0 362.477 2.802 20 5 FFBDRO CC(C)Cn1c([C@H](C)[N+](=O)[O-])nnc1N1CC[NH+](Cc2ccccc2)CC1 ZINC001263416180 1042294503 /nfs/dbraw/zinc/29/45/03/1042294503.db2.gz YYDJICPGBHTYDD-INIZCTEOSA-N 1 0 372.473 2.594 20 5 FFBDRO CCCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC[NH+](CCC2CCCC2)CC1 ZINC001265338767 1042852672 /nfs/dbraw/zinc/85/26/72/1042852672.db2.gz KEMCHNJZJMCNAN-QZTJIDSGSA-N 1 0 351.491 2.935 20 5 FFBDRO CC1([NH+]2CCC2)CCC(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC001538872430 1070508563 /nfs/dbraw/zinc/50/85/63/1070508563.db2.gz AJTUQBWBBSDOGZ-UHFFFAOYSA-N 1 0 362.386 2.640 20 5 FFBDRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC001311660757 1043956688 /nfs/dbraw/zinc/95/66/88/1043956688.db2.gz IECSDFCGIRHDKF-KRWDZBQOSA-N 1 0 362.474 2.947 20 5 FFBDRO C[N@@H+]1CCCC[C@H]1CNC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001313376432 1044337257 /nfs/dbraw/zinc/33/72/57/1044337257.db2.gz PORJMMRTUKBVMV-WMZOPIPTSA-N 1 0 360.458 2.968 20 5 FFBDRO O=C(NCC1([NH2+]C/C=C\c2ccc(Cl)cc2)CCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001280480118 1044662350 /nfs/dbraw/zinc/66/23/50/1044662350.db2.gz BPMSADHFKVBXDJ-GCMXGRHNSA-N 1 0 363.845 2.647 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(C[NH2+]C[C@@]2(O)CCOC2)o1 ZINC001319480587 1045164555 /nfs/dbraw/zinc/16/45/55/1045164555.db2.gz CLQBBTOYZWUFEV-INIZCTEOSA-N 1 0 352.774 2.749 20 5 FFBDRO C[N@@H+]1CC[C@H](NC(=O)NCc2ccccc2[N+](=O)[O-])[C@H]1c1ccc(F)cc1 ZINC001319572165 1045199251 /nfs/dbraw/zinc/19/92/51/1045199251.db2.gz LQPYDBACRGDYRR-FUHWJXTLSA-N 1 0 372.400 2.979 20 5 FFBDRO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC001324123622 1045877677 /nfs/dbraw/zinc/87/76/77/1045877677.db2.gz CAANRIMCZMBXLR-UONOGXRCSA-N 1 0 370.247 2.960 20 5 FFBDRO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC001322682270 1046179383 /nfs/dbraw/zinc/17/93/83/1046179383.db2.gz ZVMIAMMMJPPDEH-HZPDHXFCSA-N 1 0 360.458 2.798 20 5 FFBDRO CCN(CCC[NH+]1CCCC1)c1c([N+](=O)[O-])cc(CO)c(C)c1[N+](=O)[O-] ZINC000819931452 1046589902 /nfs/dbraw/zinc/58/99/02/1046589902.db2.gz OMQHBXYVICRHHE-UHFFFAOYSA-N 1 0 366.418 2.616 20 5 FFBDRO O=C(Nc1ccc2c(c1)OCC[NH2+]C2)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001331481369 1047961362 /nfs/dbraw/zinc/96/13/62/1047961362.db2.gz TXJHGXAMPQFZAW-UHFFFAOYSA-N 1 0 354.366 2.625 20 5 FFBDRO CC[NH+](CC)C1CCN(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001327966137 1048112851 /nfs/dbraw/zinc/11/28/51/1048112851.db2.gz YKWVKVNDEJRTPT-UHFFFAOYSA-N 1 0 361.442 2.891 20 5 FFBDRO CC(C)n1ncc2c1[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])CCC2 ZINC001329139599 1048592830 /nfs/dbraw/zinc/59/28/30/1048592830.db2.gz AYJBHBLXOHHRFQ-HZPDHXFCSA-N 1 0 374.441 2.779 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)CCC(=O)c3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC001333927432 1049171278 /nfs/dbraw/zinc/17/12/78/1049171278.db2.gz CTABYLHMXDVRIA-IXDOHACOSA-N 1 0 373.453 2.746 20 5 FFBDRO COc1cccc([C@@H]2C[NH2+]CCN2C(=O)Cc2cccc([N+](=O)[O-])c2C)c1 ZINC001330951425 1049407982 /nfs/dbraw/zinc/40/79/82/1049407982.db2.gz SCURVLVBFMSDJM-IBGZPJMESA-N 1 0 369.421 2.627 20 5 FFBDRO COC(=O)c1cc(NC(=O)[C@@H](CC(C)C)n2ccnc2)cc([N+](=O)[O-])c1 ZINC001293928912 1049654771 /nfs/dbraw/zinc/65/47/71/1049654771.db2.gz SZCOAKDSBVXKOQ-OAHLLOKOSA-N 1 0 360.370 2.804 20 5 FFBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)C1 ZINC001295041979 1049869972 /nfs/dbraw/zinc/86/99/72/1049869972.db2.gz UOPXWWABZDBXJG-SNVBAGLBSA-N 1 0 372.828 2.677 20 5 FFBDRO CNC(=O)c1ccc(N2CC[NH+]([C@@H](C)c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC001307199044 1049980694 /nfs/dbraw/zinc/98/06/94/1049980694.db2.gz XZRIKORMQJYZJY-HNNXBMFYSA-N 1 0 368.437 2.838 20 5 FFBDRO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC001342318468 1050913924 /nfs/dbraw/zinc/91/39/24/1050913924.db2.gz LLMPQNIWZNCTDJ-CJNGLKHVSA-N 1 0 351.834 2.781 20 5 FFBDRO C[NH+]1C[C@@]2(C)CN(C(=O)CCCNc3ccc([N+](=O)[O-])cc3)C[C@]2(C)C1 ZINC001301717923 1050966845 /nfs/dbraw/zinc/96/68/45/1050966845.db2.gz PITTYBBKOFHLEF-OALUTQOASA-N 1 0 360.458 2.587 20 5 FFBDRO C[NH+]1C[C@]2(C)CN(C(=O)CCCNc3ccc([N+](=O)[O-])cc3)C[C@@]2(C)C1 ZINC001301717924 1050968253 /nfs/dbraw/zinc/96/82/53/1050968253.db2.gz PITTYBBKOFHLEF-RTBURBONSA-N 1 0 360.458 2.587 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC([C@@H]3CCC[NH2+]CC3)CC2)c1 ZINC001342649401 1051257215 /nfs/dbraw/zinc/25/72/15/1051257215.db2.gz PUOGUVNIOMHJNJ-CQSZACIVSA-N 1 0 361.442 2.845 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC([C@H]3CCC[NH2+]CC3)CC2)c1 ZINC001342649399 1051257282 /nfs/dbraw/zinc/25/72/82/1051257282.db2.gz PUOGUVNIOMHJNJ-AWEZNQCLSA-N 1 0 361.442 2.845 20 5 FFBDRO O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001341339539 1051695978 /nfs/dbraw/zinc/69/59/78/1051695978.db2.gz PQBFXARRIUIWPD-OAHLLOKOSA-N 1 0 357.332 2.972 20 5 FFBDRO CCOc1ccc(C(=O)O[C@H]2CCN(Cc3cccc([N+](=O)[O-])c3)C2)cn1 ZINC001343372392 1052189236 /nfs/dbraw/zinc/18/92/36/1052189236.db2.gz YORCMSVGCSXJJZ-KRWDZBQOSA-N 1 0 371.393 2.820 20 5 FFBDRO Cn1cc([N+](=O)[O-])c(Nc2ccc(N3CCC([NH+](C)C)CC3)c(F)c2)n1 ZINC001306959780 1052228240 /nfs/dbraw/zinc/22/82/40/1052228240.db2.gz OZNNTFZNXDCBBO-UHFFFAOYSA-N 1 0 362.409 2.741 20 5 FFBDRO O=[N+]([O-])c1cc(CO)c(N2C[C@H]3CC[N@H+](Cc4ccccc4)[C@H]3C2)cc1F ZINC001307145575 1052257508 /nfs/dbraw/zinc/25/75/08/1052257508.db2.gz OSGDXAVQHUZNBW-QRWLVFNGSA-N 1 0 371.412 2.937 20 5 FFBDRO COC(=O)COc1ccc(C[N@H+](C)CCOc2cccc([N+](=O)[O-])c2)cc1 ZINC001307699097 1052338465 /nfs/dbraw/zinc/33/84/65/1052338465.db2.gz UAOJYGVJJSOFOZ-UHFFFAOYSA-N 1 0 374.393 2.657 20 5 FFBDRO Cn1cc(C[NH2+][C@H](CNC(=O)OC(C)(C)C)C2CCCC2)c([N+](=O)[O-])n1 ZINC001307728728 1052342477 /nfs/dbraw/zinc/34/24/77/1052342477.db2.gz SPOOKSZQOOYBGE-CQSZACIVSA-N 1 0 367.450 2.501 20 5 FFBDRO CC(C)[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C(C)(C)O ZINC001307752619 1052345738 /nfs/dbraw/zinc/34/57/38/1052345738.db2.gz QHPZYFBHXLJMKN-HZMBPMFUSA-N 1 0 357.838 2.960 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@@H]1CCC[NH2+]CC1 ZINC001343642195 1052351520 /nfs/dbraw/zinc/35/15/20/1052351520.db2.gz VVEMKUZDSPHENV-VXGBXAGGSA-N 1 0 355.822 2.521 20 5 FFBDRO O=C(C[NH2+]C1(CO)CCCCCCC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001308016383 1052384377 /nfs/dbraw/zinc/38/43/77/1052384377.db2.gz FUDLGSWXQSYPCE-UHFFFAOYSA-N 1 0 361.442 2.549 20 5 FFBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1CN1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC001308140016 1052415756 /nfs/dbraw/zinc/41/57/56/1052415756.db2.gz IXTRLTFLSGXLDB-LSDHHAIUSA-N 1 0 374.268 2.933 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+][C@@H](C)COc2ccccc2)cc1[N+](=O)[O-] ZINC001308229124 1052433711 /nfs/dbraw/zinc/43/37/11/1052433711.db2.gz SPBWWJRZYMZAIY-AWEZNQCLSA-N 1 0 374.393 2.704 20 5 FFBDRO CC[C@@H]1CCC[C@H](C[NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC001308258637 1052438530 /nfs/dbraw/zinc/43/85/30/1052438530.db2.gz AEPWVWZKFDOFPK-CABCVRRESA-N 1 0 369.487 2.679 20 5 FFBDRO C[NH+](C)CCn1ccc(NCc2c(Br)cccc2[N+](=O)[O-])n1 ZINC001308331802 1052447131 /nfs/dbraw/zinc/44/71/31/1052447131.db2.gz XTZFAMRDWDOQAK-UHFFFAOYSA-N 1 0 368.235 2.728 20 5 FFBDRO COc1cc(C[NH2+]C[C@@H](O)Cc2cccc(Cl)c2)c([N+](=O)[O-])cc1O ZINC001308510848 1052463133 /nfs/dbraw/zinc/46/31/33/1052463133.db2.gz YJLZIQQEKZBQMG-AWEZNQCLSA-N 1 0 366.801 2.656 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C2CCC3(CSC3)CC2)cc1 ZINC001308671240 1052484448 /nfs/dbraw/zinc/48/44/48/1052484448.db2.gz WFPSRBAYRSKJMR-UHFFFAOYSA-N 1 0 370.496 2.634 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)[NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)cc1 ZINC001308932463 1052521950 /nfs/dbraw/zinc/52/19/50/1052521950.db2.gz YPGIGIKWIPMAFC-RARDXLECSA-N 1 0 371.437 2.700 20 5 FFBDRO [NH3+]C1CC2(C1)CC(NC(=O)Cn1c3ccccc3c(=O)c3ccccc31)C2 ZINC001346163539 1052773168 /nfs/dbraw/zinc/77/31/68/1052773168.db2.gz LYZSSERJYBHXOI-UHFFFAOYSA-N 1 0 361.445 2.541 20 5 FFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1 ZINC001334831233 1053103881 /nfs/dbraw/zinc/10/38/81/1053103881.db2.gz FXYWOUZTCYATKT-SOUVJXGZSA-N 1 0 361.442 2.796 20 5 FFBDRO C[C@@H](CNC(=O)NCc1ccc2c(c1)C[NH2+]C2)c1ccccc1[N+](=O)[O-] ZINC001335552786 1053430684 /nfs/dbraw/zinc/43/06/84/1053430684.db2.gz AMVRYQZUVJTJPP-ZDUSSCGKSA-N 1 0 354.410 2.801 20 5 FFBDRO COCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2Br)CCOCC1 ZINC001347120337 1053640038 /nfs/dbraw/zinc/64/00/38/1053640038.db2.gz NEGULBUIKJMWNY-UHFFFAOYSA-N 1 0 359.220 2.643 20 5 FFBDRO C[N@@H+]1CCCC[C@@H]1CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC001347505295 1054052357 /nfs/dbraw/zinc/05/23/57/1054052357.db2.gz WQZZRNVWHPSOBZ-MRXNPFEDSA-N 1 0 363.461 2.755 20 5 FFBDRO CCCN(C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C)[C@H]1CC[N@H+](C)C1 ZINC001347805827 1054337980 /nfs/dbraw/zinc/33/79/80/1054337980.db2.gz KYHNZAJKZFSVDY-ZDUSSCGKSA-N 1 0 364.402 2.676 20 5 FFBDRO C[NH+]1CCN(C(C)(C)CNc2cccc(Br)c2[N+](=O)[O-])CC1 ZINC001347919686 1054458200 /nfs/dbraw/zinc/45/82/00/1054458200.db2.gz ZUSFJFIRDBOWGP-UHFFFAOYSA-N 1 0 371.279 2.795 20 5 FFBDRO O=[N+]([O-])c1cc(-c2nnc(N3CC[NH+](C4CC4)CC3)n2CC2CC2)cs1 ZINC001348985586 1055036842 /nfs/dbraw/zinc/03/68/42/1055036842.db2.gz VZXRXHFKQMLLJX-UHFFFAOYSA-N 1 0 374.470 2.609 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(c3c(Br)cncc3[N+](=O)[O-])C[C@H]2C1 ZINC001352098502 1055190346 /nfs/dbraw/zinc/19/03/46/1055190346.db2.gz HTDOHPYIVYLZGR-IJLUTSLNSA-N 1 0 369.263 2.919 20 5 FFBDRO CC[NH+](CC)CC[C@H](C)NC(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 ZINC001349880053 1055516793 /nfs/dbraw/zinc/51/67/93/1055516793.db2.gz MYNLALXFTHZUDC-HNNXBMFYSA-N 1 0 373.457 2.690 20 5 FFBDRO COc1ccc(OC)c(NC(=[NH2+])NCCNc2ccc([N+](=O)[O-])cc2)c1 ZINC000849053830 1055601686 /nfs/dbraw/zinc/60/16/86/1055601686.db2.gz QJGPVRLCYSZQNS-UHFFFAOYSA-N 1 0 359.386 2.660 20 5 FFBDRO Cn1ccnc1[C@@H](Cc1ccccc1)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001356620127 1055619059 /nfs/dbraw/zinc/61/90/59/1055619059.db2.gz CDMICLXZJZQYPU-RTBURBONSA-N 1 0 366.421 2.935 20 5 FFBDRO C[C@@H](NC(=O)[C@@H]1C[NH2+]C[C@H]1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC001357184795 1055813863 /nfs/dbraw/zinc/81/38/63/1055813863.db2.gz XKWFVJZZEJHGOY-LSBZLQRGSA-N 1 0 353.422 2.850 20 5 FFBDRO Cc1c(CNC(=O)c2cnc(CC3CC[NH2+]CC3)s2)cccc1[N+](=O)[O-] ZINC001357533289 1055936289 /nfs/dbraw/zinc/93/62/89/1055936289.db2.gz CQAHYWFSEJHFMK-UHFFFAOYSA-N 1 0 374.466 2.832 20 5 FFBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1ccc3c(c1)OCC[NH2+]C3)CC2 ZINC001357587150 1055955787 /nfs/dbraw/zinc/95/57/87/1055955787.db2.gz HGRCMBKYGDKYPX-UHFFFAOYSA-N 1 0 353.378 2.588 20 5 FFBDRO O=C(CCc1cc(F)ccc1[N+](=O)[O-])N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC001357925531 1056070677 /nfs/dbraw/zinc/07/06/77/1056070677.db2.gz RMFSECCPOYXFAV-DLBZAZTESA-N 1 0 357.385 2.538 20 5 FFBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1ccn(-c2cc[nH+]cc2)n1 ZINC001339127130 1056118482 /nfs/dbraw/zinc/11/84/82/1056118482.db2.gz BYDIFZJPJCXDKH-UHFFFAOYSA-N 1 0 365.393 2.928 20 5 FFBDRO CCC1([NH+](C)C)CCN(c2nnc([C@@H](C)[N+](=O)[O-])n2CC(C)C)CC1 ZINC001358066813 1056125946 /nfs/dbraw/zinc/12/59/46/1056125946.db2.gz MRHAYYQSOCELIW-CQSZACIVSA-N 1 0 352.483 2.582 20 5 FFBDRO CN1CC[NH+](CC2CCN(c3ccnc4cc([N+](=O)[O-])ccc43)CC2)CC1 ZINC001339546849 1056570131 /nfs/dbraw/zinc/57/01/31/1056570131.db2.gz JLNREXYZPWSBPW-UHFFFAOYSA-N 1 0 369.469 2.607 20 5 FFBDRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](c2cnn(C)c2)C1 ZINC000849483058 1056870360 /nfs/dbraw/zinc/87/03/60/1056870360.db2.gz VJAQJTAPKCBPTD-ZWKOTPCHSA-N 1 0 371.441 2.781 20 5 FFBDRO COc1cc(C(=O)OCC[C@H]2CC[N@H+](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000847828279 1058174818 /nfs/dbraw/zinc/17/48/18/1058174818.db2.gz PSCGJHQQRBCOJX-SNVBAGLBSA-N 1 0 374.340 2.703 20 5 FFBDRO CC[C@@H](CC(F)F)C(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001518548128 1058417507 /nfs/dbraw/zinc/41/75/07/1058417507.db2.gz JBXWGVUCTPZIOG-LBPRGKRZSA-N 1 0 370.400 2.967 20 5 FFBDRO COc1cccc(C(=O)N2C[C@]34C[N@H+](C)C[C@@]3(C2)CCCC4)c1[N+](=O)[O-] ZINC001515003764 1059212959 /nfs/dbraw/zinc/21/29/59/1059212959.db2.gz YOYIHDCUISOIIB-KDURUIRLSA-N 1 0 359.426 2.551 20 5 FFBDRO C[NH+]1C[C@]2(C)CN(C(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])C[C@@]2(C)C1 ZINC001454283393 1059485874 /nfs/dbraw/zinc/48/58/74/1059485874.db2.gz CTRLKNUSCHUJKY-IAGOWNOFSA-N 1 0 369.824 2.730 20 5 FFBDRO C[N@H+](Cc1ccccc1)C1(CNC(=O)c2[nH]ncc2[N+](=O)[O-])CCCCC1 ZINC001455494030 1059801972 /nfs/dbraw/zinc/80/19/72/1059801972.db2.gz DAOGBAZTUGOCRQ-UHFFFAOYSA-N 1 0 371.441 2.883 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N3C[C@@H]4CC[NH2+]C[C@@H]4C3)cc2[N+](=O)[O-])CC1 ZINC001355094249 1059881617 /nfs/dbraw/zinc/88/16/17/1059881617.db2.gz KUNJJNIRMRSNTR-DLBZAZTESA-N 1 0 372.469 2.513 20 5 FFBDRO O=[N+]([O-])c1cnc2c(Cl)cccc2c1N1CC[NH+](CCCCO)CC1 ZINC001355240024 1060028291 /nfs/dbraw/zinc/02/82/91/1060028291.db2.gz XQQVSIURPNHDOO-UHFFFAOYSA-N 1 0 364.833 2.691 20 5 FFBDRO O=[N+]([O-])c1ccccc1-c1cnn(C[N@@H+]2CCC[C@@H](C3OCCO3)C2)c1 ZINC000848479254 1060107405 /nfs/dbraw/zinc/10/74/05/1060107405.db2.gz VERLBCNACQQREF-CQSZACIVSA-N 1 0 358.398 2.501 20 5 FFBDRO O=C1[C@H](c2ccc([N+](=O)[O-])cc2)CCN1C[N@@H+]1CCCC2(CCOCC2)C1 ZINC000848479804 1060112202 /nfs/dbraw/zinc/11/22/02/1060112202.db2.gz JOYGMIBVFSAWGR-SFHVURJKSA-N 1 0 373.453 2.761 20 5 FFBDRO CC[NH+](CC)C[C@@H]1CCN(CN2CC[C@@H](c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000848480478 1060114398 /nfs/dbraw/zinc/11/43/98/1060114398.db2.gz MZWZITJIAMATCP-LPHOPBHVSA-N 1 0 374.485 2.532 20 5 FFBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000848487453 1060139154 /nfs/dbraw/zinc/13/91/54/1060139154.db2.gz VFBLVPDCFPDNHX-DOTOQJQBSA-N 1 0 355.442 2.974 20 5 FFBDRO CC(C)CN(CC1CC[NH+](C)CC1)c1nnc(C[N+](=O)[O-])n1CC(C)C ZINC001517379010 1060469497 /nfs/dbraw/zinc/46/94/97/1060469497.db2.gz FBHWGCSZPIACDI-UHFFFAOYSA-N 1 0 366.510 2.515 20 5 FFBDRO Cc1cc(N[C@@H]2C[C@@H]([NH+](C)C)C2(C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001458449163 1060593278 /nfs/dbraw/zinc/59/32/78/1060593278.db2.gz CFMROGJPEHIIIG-HZPDHXFCSA-N 1 0 355.442 2.923 20 5 FFBDRO COCC[N@H+]1[C@H](C)CN(c2cccc(Br)c2[N+](=O)[O-])C[C@@H]1C ZINC001458457130 1060594722 /nfs/dbraw/zinc/59/47/22/1060594722.db2.gz ZFNWVDFAZKQTKC-TXEJJXNPSA-N 1 0 372.263 2.903 20 5 FFBDRO O=C1OCCN1c1cc([N+](=O)[O-])ccc1N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000848784344 1060690225 /nfs/dbraw/zinc/69/02/25/1060690225.db2.gz ZIZRZWZLSWGIJR-GOEBONIOSA-N 1 0 360.414 2.980 20 5 FFBDRO Nc1nccc(C(=O)OCc2cccc(C[NH+]3CCCCC3)c2)c1[N+](=O)[O-] ZINC000848790480 1060701923 /nfs/dbraw/zinc/70/19/23/1060701923.db2.gz OWAGMMGSLORXRL-UHFFFAOYSA-N 1 0 370.409 2.915 20 5 FFBDRO CCc1ccc(S(=O)(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)cc1[N+](=O)[O-] ZINC001475269108 1061025732 /nfs/dbraw/zinc/02/57/32/1061025732.db2.gz GAMDHOQAZOKRJH-INIZCTEOSA-N 1 0 369.487 2.556 20 5 FFBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC001460712794 1061073403 /nfs/dbraw/zinc/07/34/03/1061073403.db2.gz XRPWOABCCWVTPD-GJZGRUSLSA-N 1 0 369.425 2.528 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](C)Cc1cccnc1 ZINC001460927946 1061153222 /nfs/dbraw/zinc/15/32/22/1061153222.db2.gz FHUONZCIAURXEN-CYBMUJFWSA-N 1 0 358.398 2.548 20 5 FFBDRO O=C(CC[N@H+]1CCC[C@@]1(CO)c1ccccc1)Nc1ccc([N+](=O)[O-])cc1 ZINC001460961611 1061167182 /nfs/dbraw/zinc/16/71/82/1061167182.db2.gz XSWQZDGVQOYXBZ-HXUWFJFHSA-N 1 0 369.421 2.907 20 5 FFBDRO CC1(C)CCC[C@@H]([NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001461161354 1061230770 /nfs/dbraw/zinc/23/07/70/1061230770.db2.gz UTOUTEFMGOMBKS-CQSZACIVSA-N 1 0 369.487 2.822 20 5 FFBDRO COc1c(O)ccc(C[NH2+]C[C@@H](O)c2cc(F)cc(Cl)c2)c1[N+](=O)[O-] ZINC001462174321 1061529576 /nfs/dbraw/zinc/52/95/76/1061529576.db2.gz DUOBEOGLPPOXNQ-CQSZACIVSA-N 1 0 370.764 2.925 20 5 FFBDRO COC(=O)[C@H](C[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)CC(C)C ZINC001462298861 1061573937 /nfs/dbraw/zinc/57/39/37/1061573937.db2.gz TYJANVXZSHMOOV-KBPBESRZSA-N 1 0 365.430 2.737 20 5 FFBDRO COc1cccc([C@@H](CO)[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000766165706 1061664877 /nfs/dbraw/zinc/66/48/77/1061664877.db2.gz XUGMSTJQZAAGJQ-HXUWFJFHSA-N 1 0 371.437 2.895 20 5 FFBDRO COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC001462547114 1061665704 /nfs/dbraw/zinc/66/57/04/1061665704.db2.gz DNKUMILCNNAMAE-JFUSQASVSA-N 1 0 357.204 2.645 20 5 FFBDRO O=C(NCc1cccc2c1CC[NH2+]C2)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001522264871 1061832352 /nfs/dbraw/zinc/83/23/52/1061832352.db2.gz LWGVCVCJLQZJSE-RBUKOAKNSA-N 1 0 351.406 2.660 20 5 FFBDRO [NH3+]CCN(CC(F)(F)F)C(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC001522429643 1062173775 /nfs/dbraw/zinc/17/37/75/1062173775.db2.gz AMCFXSMCOPGJEC-UHFFFAOYSA-N 1 0 353.728 2.530 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC[C@H]1CCC[NH2+]CC1 ZINC001524222117 1062763499 /nfs/dbraw/zinc/76/34/99/1062763499.db2.gz IIAXAZDKMRXGKK-STQMWFEESA-N 1 0 369.849 2.912 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCC(C)(C)[NH2+]C(C)(C)C1 ZINC001464849894 1062867264 /nfs/dbraw/zinc/86/72/64/1062867264.db2.gz LECGTPGOMOKJOM-UHFFFAOYSA-N 1 0 369.487 2.753 20 5 FFBDRO C[C@@H](CNC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](C)C1 ZINC001441359651 1063428257 /nfs/dbraw/zinc/42/82/57/1063428257.db2.gz HCQVPESHTQDPFL-MNOVXSKESA-N 1 0 354.838 2.681 20 5 FFBDRO Cc1cc(F)ccc1C[NH+]1CCC(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001495517899 1063503859 /nfs/dbraw/zinc/50/38/59/1063503859.db2.gz SEDLNUUULNVMOP-QZTJIDSGSA-N 1 0 363.433 2.518 20 5 FFBDRO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Nc3ccc([N+](=O)[O-])c4ccncc34)[C@H]2C1 ZINC001467071000 1063629232 /nfs/dbraw/zinc/62/92/32/1063629232.db2.gz ZURZCCPDJRVEFR-PJODQICGSA-N 1 0 355.398 2.605 20 5 FFBDRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC001470022723 1064245439 /nfs/dbraw/zinc/24/54/39/1064245439.db2.gz VDGVRMYCCWYQDF-KRWDZBQOSA-N 1 0 362.474 2.947 20 5 FFBDRO C[N@H+](CCOc1ccccc1)Cc1ccc(NC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC001471881735 1064834849 /nfs/dbraw/zinc/83/48/49/1064834849.db2.gz PKQQBCUEBGYDDO-RTBURBONSA-N 1 0 369.421 2.801 20 5 FFBDRO CC(C)[C@H]1CCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCC[NH3+] ZINC001575502796 1078146439 /nfs/dbraw/zinc/14/64/39/1078146439.db2.gz VIUSKKHMFKJXCR-MRXNPFEDSA-N 1 0 358.446 2.827 20 5 FFBDRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNc1ncccc1[N+](=O)[O-] ZINC001472808693 1065149199 /nfs/dbraw/zinc/14/91/99/1065149199.db2.gz XXFMFTNUANJTRH-SJLPKXTDSA-N 1 0 356.426 2.939 20 5 FFBDRO C[C@@H](Cc1cccc(F)c1)N(C)C(=O)[C@@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC001576052461 1078190365 /nfs/dbraw/zinc/19/03/65/1078190365.db2.gz JPVCFTDQZMJBBX-DJJJIMSYSA-N 1 0 359.401 2.997 20 5 FFBDRO C[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)NC(=O)NCc1ccccc1 ZINC001473784301 1065359522 /nfs/dbraw/zinc/35/95/22/1065359522.db2.gz WGGSDAOOUJEYOX-ZIAGYGMSSA-N 1 0 370.409 2.660 20 5 FFBDRO CC(C)[C@H]1C[C@@H]([NH+]2CCCC2)CN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001473877770 1065402785 /nfs/dbraw/zinc/40/27/85/1065402785.db2.gz QLPONLKIUGTSOT-CRAIPNDOSA-N 1 0 360.458 2.728 20 5 FFBDRO CC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCC[NH2+]2)CC1 ZINC001576735873 1078268465 /nfs/dbraw/zinc/26/84/65/1078268465.db2.gz GLVDYCIDMROSFZ-INIZCTEOSA-N 1 0 370.457 2.842 20 5 FFBDRO CC/C=C/Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H]([NH2+]C)C1 ZINC001577313287 1078336064 /nfs/dbraw/zinc/33/60/64/1078336064.db2.gz ZGYVFHQYDDAAIL-RGDDUWESSA-N 1 0 356.430 2.618 20 5 FFBDRO CCOc1cc(CN2C[C@@H](c3ccc(OC)cc3)[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC001578166321 1078445698 /nfs/dbraw/zinc/44/56/98/1078445698.db2.gz UIJYWZYLDIAHRU-ZWKOTPCHSA-N 1 0 371.437 2.929 20 5 FFBDRO CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1(C[NH3+])CCCCC1 ZINC001578436824 1078473533 /nfs/dbraw/zinc/47/35/33/1078473533.db2.gz TXPOCXSCMVGSCF-UHFFFAOYSA-N 1 0 354.838 2.780 20 5 FFBDRO CN(Cc1ccccc1[N+](=O)[O-])c1nnc(C(C)(C)C)n1CCCC[NH3+] ZINC001578497435 1078483885 /nfs/dbraw/zinc/48/38/85/1078483885.db2.gz XKANUMQHKZIGJY-UHFFFAOYSA-N 1 0 360.462 2.859 20 5 FFBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)C1(C(F)(F)F)CC[NH2+]CC1 ZINC001578481545 1078478957 /nfs/dbraw/zinc/47/89/57/1078478957.db2.gz YCAASUBNXOKWHT-UHFFFAOYSA-N 1 0 359.348 2.528 20 5 FFBDRO C[NH2+]C[C@@H](C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)C1CCC1 ZINC001578628823 1078505730 /nfs/dbraw/zinc/50/57/30/1078505730.db2.gz HHYXWHSIIQCZOV-CYBMUJFWSA-N 1 0 358.446 2.698 20 5 FFBDRO COc1ccc([C@@H]2C[NH2+]CCN2C(=O)c2ccc([N+](=O)[O-])cc2C)cc1 ZINC001579202574 1078587736 /nfs/dbraw/zinc/58/77/36/1078587736.db2.gz DBUOFZAXKOFDIH-SFHVURJKSA-N 1 0 355.394 2.699 20 5 FFBDRO COc1ccc([C@@H]2CN(c3ccc([N+](=O)[O-])c(OC(C)C)n3)C[C@H]2[NH3+])cc1 ZINC001579240600 1078598204 /nfs/dbraw/zinc/59/82/04/1078598204.db2.gz WWKGWWSVIODKND-JKSUJKDBSA-N 1 0 372.425 2.717 20 5 FFBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC001579392862 1078624806 /nfs/dbraw/zinc/62/48/06/1078624806.db2.gz DQPYKWXCVAVLML-LLVKDONJSA-N 1 0 358.423 2.780 20 5 FFBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@](C)(C[NH3+])C1CC1 ZINC001579516738 1078638347 /nfs/dbraw/zinc/63/83/47/1078638347.db2.gz SDQKCZQTLOKZLB-CQSZACIVSA-N 1 0 356.220 2.523 20 5 FFBDRO Cc1cccc(C)c1OCCNC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC001579755409 1078676445 /nfs/dbraw/zinc/67/64/45/1078676445.db2.gz XQNBIIWIKDVZER-LJQANCHMSA-N 1 0 357.410 2.581 20 5 FFBDRO [NH3+][C@H]1CCc2ccccc2N(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC001580204082 1078764993 /nfs/dbraw/zinc/76/49/93/1078764993.db2.gz NGMFDIDLWPXGGH-AWEZNQCLSA-N 1 0 350.378 2.996 20 5 FFBDRO [NH3+]Cc1ccc(CNC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)cc1 ZINC001580337810 1078788226 /nfs/dbraw/zinc/78/82/26/1078788226.db2.gz UMAVAIJRXPXHFS-UHFFFAOYSA-N 1 0 351.309 2.585 20 5 FFBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1ccc2c(c1)C[NH2+]CC2 ZINC001580579148 1078828791 /nfs/dbraw/zinc/82/87/91/1078828791.db2.gz YZPYAYJUDKQNFI-UHFFFAOYSA-N 1 0 350.378 2.834 20 5 FFBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC001556098829 1075700308 /nfs/dbraw/zinc/70/03/08/1075700308.db2.gz ZLXFLOFEBDPKCL-KSSFIOAISA-N 1 0 371.412 2.913 20 5 FFBDRO CC[N@H+]1[C@H](C)CN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC001557273748 1075831298 /nfs/dbraw/zinc/83/12/98/1075831298.db2.gz SWDJAICIVJXCFT-PHIMTYICSA-N 1 0 357.813 2.871 20 5 FFBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CC([NH+]2CCCC2)C1 ZINC001557446815 1075850143 /nfs/dbraw/zinc/85/01/43/1075850143.db2.gz NFKRGRMGOXOYAU-UHFFFAOYSA-N 1 0 355.847 2.647 20 5 FFBDRO CC(C)[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC001558767086 1076072878 /nfs/dbraw/zinc/07/28/78/1076072878.db2.gz GGWRXIXBDCTLBT-RDJZCZTQSA-N 1 0 361.442 2.695 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)c2ncnc(N3CCN(c4cc[nH+]cc4)CC3)c2c1 ZINC001559055906 1076121393 /nfs/dbraw/zinc/12/13/93/1076121393.db2.gz JAQINHWQMWSAGE-UHFFFAOYSA-N 1 0 370.800 2.913 20 5 FFBDRO CC[NH+](CC)CC[C@@H](CO)Nc1c2cccc(Cl)c2ncc1[N+](=O)[O-] ZINC001559178189 1076132211 /nfs/dbraw/zinc/13/22/11/1076132211.db2.gz CMXJSHDJWQWQBH-LBPRGKRZSA-N 1 0 366.849 2.723 20 5 FFBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](C3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC001559233294 1076137750 /nfs/dbraw/zinc/13/77/50/1076137750.db2.gz OEAXYWVPMYPASX-UHFFFAOYSA-N 1 0 350.375 2.558 20 5 FFBDRO CCC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@H](C)C(=O)OCC ZINC001559806415 1076192819 /nfs/dbraw/zinc/19/28/19/1076192819.db2.gz VHBBMRCBIXHCRM-CQSZACIVSA-N 1 0 365.430 2.895 20 5 FFBDRO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC001560006135 1076212563 /nfs/dbraw/zinc/21/25/63/1076212563.db2.gz VATDJMZDEMFVAM-OAHLLOKOSA-N 1 0 351.422 2.809 20 5 FFBDRO O=C(CC[NH2+][C@H](CO)c1ccc(F)cc1F)Nc1ccccc1[N+](=O)[O-] ZINC001560019461 1076213803 /nfs/dbraw/zinc/21/38/03/1076213803.db2.gz AMYMYDHSEUQKSJ-OAHLLOKOSA-N 1 0 365.336 2.525 20 5 FFBDRO CC1CC[NH+](CC[C@H]2CCCN2Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC001560068546 1076220660 /nfs/dbraw/zinc/22/06/60/1076220660.db2.gz DPGLREXOJDDFJS-GOSISDBHSA-N 1 0 374.485 2.780 20 5 FFBDRO C[C@](CO)([NH2+]CCC(=O)Nc1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC001560066069 1076221250 /nfs/dbraw/zinc/22/12/50/1076221250.db2.gz HKKFFZBPHOSHPZ-GOSISDBHSA-N 1 0 361.373 2.560 20 5 FFBDRO CN(Cc1cc([O-])ccc1[N+](=O)[O-])[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001560234029 1076253689 /nfs/dbraw/zinc/25/36/89/1076253689.db2.gz SDBXMPJMTXQUFS-FOLVSLTJSA-N 1 0 363.414 2.598 20 5 FFBDRO CC(C)c1ccc(C[NH2+]Cc2ccc(-n3cncn3)nc2)cc1[N+](=O)[O-] ZINC001560266056 1076257668 /nfs/dbraw/zinc/25/76/68/1076257668.db2.gz OEPMXZJWZRZESE-UHFFFAOYSA-N 1 0 352.398 2.984 20 5 FFBDRO CC[C@H](CN1CCOCC1)[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001561014109 1076319717 /nfs/dbraw/zinc/31/97/17/1076319717.db2.gz KWCQRIYSQIPWNL-CQSZACIVSA-N 1 0 361.364 2.814 20 5 FFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(CC[NH2+]Cc2cccc(Cl)c2)CC1 ZINC001568085203 1077070358 /nfs/dbraw/zinc/07/03/58/1077070358.db2.gz SJOJFAULXDRYTF-IAGOWNOFSA-N 1 0 365.861 2.724 20 5 FFBDRO COc1cccc(C[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])c(C)c3)CC[NH2+]2)c1 ZINC001586365045 1079611385 /nfs/dbraw/zinc/61/13/85/1079611385.db2.gz PWYYOBHTNQFWAQ-KRWDZBQOSA-N 1 0 369.421 2.569 20 5 FFBDRO C[C@H](CNc1cccc(-c2nn[nH]n2)c1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC001589877016 1080825932 /nfs/dbraw/zinc/82/59/32/1080825932.db2.gz FQJIJZDANYLLKE-CYBMUJFWSA-N 1 0 367.413 2.707 20 5 FFBDRO C[C@H](Cc1ccc(O)cc1)[N@H+](C)Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001589899444 1080848689 /nfs/dbraw/zinc/84/86/89/1080848689.db2.gz IYOBSNBQIOBGMG-GFCCVEGCSA-N 1 0 368.397 2.544 20 5 FFBDRO CC1([NH+]2CCCCC2)CCN(c2cccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 ZINC001590142860 1081048023 /nfs/dbraw/zinc/04/80/23/1081048023.db2.gz RXFVAKOINYNKGO-UHFFFAOYSA-N 1 0 371.445 2.620 20 5 FFBDRO NC(=O)C[C@@H]1CCC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000093808464 250044014 /nfs/dbraw/zinc/04/40/14/250044014.db2.gz ONERBNTXQPGQOK-LBPRGKRZSA-N 1 0 360.439 2.806 20 5 FFBDRO O=[N+]([O-])c1cc(I)ccc1NC[C@H]1CCC[NH2+]C1 ZINC000097349082 250064760 /nfs/dbraw/zinc/06/47/60/250064760.db2.gz QPGYWVXLWGQJAI-VIFPVBQESA-N 1 0 361.183 2.611 20 5 FFBDRO C[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Cl)cc1Cl ZINC000097454440 250065392 /nfs/dbraw/zinc/06/53/92/250065392.db2.gz ZZLXRRCHYIRZMB-SKDRFNHKSA-N 1 0 359.213 2.810 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)C[NH+]2CCCCC2)cc1SC ZINC000103069354 250132613 /nfs/dbraw/zinc/13/26/13/250132613.db2.gz UUZDRHYHYDGGFK-GFCCVEGCSA-N 1 0 367.471 2.930 20 5 FFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H](O)Cc1ccccc1 ZINC000132069343 251043463 /nfs/dbraw/zinc/04/34/63/251043463.db2.gz BJIRFTRBOMWVHL-RDTXWAMCSA-N 1 0 357.410 2.505 20 5 FFBDRO CN(C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CCC[N@H+](C)C1 ZINC000153414435 251135317 /nfs/dbraw/zinc/13/53/17/251135317.db2.gz CATXVTZJKNGVJM-CQSZACIVSA-N 1 0 360.439 2.885 20 5 FFBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)CC[N@H+](C)C1CC1 ZINC000186763317 251259865 /nfs/dbraw/zinc/25/98/65/251259865.db2.gz LTUNYKSGBATYBU-NSHDSACASA-N 1 0 354.838 2.601 20 5 FFBDRO Cc1ccc2[nH]c([C@@H]3CCC[N@H+](CCn4ccc([N+](=O)[O-])n4)C3)nc2c1 ZINC000181141513 251246610 /nfs/dbraw/zinc/24/66/10/251246610.db2.gz FMVNTBMCBXHKBM-CQSZACIVSA-N 1 0 354.414 2.856 20 5 FFBDRO CC(C)NC(=O)c1ccc(N2CC[C@@H]([NH+]3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000264619740 251324802 /nfs/dbraw/zinc/32/48/02/251324802.db2.gz RJYFDNWWZGNLDE-MRXNPFEDSA-N 1 0 360.458 2.798 20 5 FFBDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CCOCC3)nc2)cc1[N+](=O)[O-] ZINC000268731854 251369099 /nfs/dbraw/zinc/36/90/99/251369099.db2.gz CMPUSUFEPMTPPS-OAHLLOKOSA-N 1 0 356.426 2.986 20 5 FFBDRO COc1ccc(C[NH2+][C@H](C)Cn2cc(Br)cn2)cc1[N+](=O)[O-] ZINC000268803400 251388142 /nfs/dbraw/zinc/38/81/42/251388142.db2.gz GRXAGIBCVTVFGS-SNVBAGLBSA-N 1 0 369.219 2.741 20 5 FFBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@H]2CCOc3c(Br)cccc32)c1 ZINC000271476043 251802497 /nfs/dbraw/zinc/80/24/97/251802497.db2.gz HZIZTNYGWVINFA-ZDUSSCGKSA-N 1 0 367.203 2.667 20 5 FFBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)[C@@H]2C1 ZINC000272415054 252033315 /nfs/dbraw/zinc/03/33/15/252033315.db2.gz GAXDPHAGXPFEKE-IINYFYTJSA-N 1 0 357.332 2.780 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000272843403 252144527 /nfs/dbraw/zinc/14/45/27/252144527.db2.gz NJAFBLDASWGZEO-OLZOCXBDSA-N 1 0 363.439 2.962 20 5 FFBDRO CCC[NH+]1CCC(N(C)C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000272778393 252128882 /nfs/dbraw/zinc/12/88/82/252128882.db2.gz DLVPUONLPXTQFS-UHFFFAOYSA-N 1 0 350.419 2.942 20 5 FFBDRO C[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000272981491 252181674 /nfs/dbraw/zinc/18/16/74/252181674.db2.gz XXXPYJIGMDLNBW-LBPRGKRZSA-N 1 0 352.387 2.858 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000273090053 252213334 /nfs/dbraw/zinc/21/33/34/252213334.db2.gz ISLIMYSJCUUSHS-MRXNPFEDSA-N 1 0 357.410 2.782 20 5 FFBDRO COCC[C@H]([NH2+]CCOc1ccc(OC)cc1[N+](=O)[O-])c1ccco1 ZINC000273313423 252279626 /nfs/dbraw/zinc/27/96/26/252279626.db2.gz UYMDMBYRMNRSGP-AWEZNQCLSA-N 1 0 350.371 2.943 20 5 FFBDRO O=C(CC[NH+]1CCC(CCCO)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000275580599 256026461 /nfs/dbraw/zinc/02/64/61/256026461.db2.gz HXMCLDUSQPBHCA-UHFFFAOYSA-N 1 0 353.394 2.547 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+](CCO)C3CCOCC3)cs2)c1 ZINC000276046272 256068398 /nfs/dbraw/zinc/06/83/98/256068398.db2.gz TYSCGQIVMRRLCN-UHFFFAOYSA-N 1 0 363.439 2.692 20 5 FFBDRO C[NH+](C)CC1(CNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CCCC1 ZINC000276315783 256089409 /nfs/dbraw/zinc/08/94/09/256089409.db2.gz PHSKJUWUORJAGP-UHFFFAOYSA-N 1 0 355.460 2.532 20 5 FFBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000285763679 257003468 /nfs/dbraw/zinc/00/34/68/257003468.db2.gz ZQFMTFAEEFNTCE-JSGCOSHPSA-N 1 0 366.849 2.745 20 5 FFBDRO C[C@H]1CCCC[N@@H+]1CCCNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000276089075 256071536 /nfs/dbraw/zinc/07/15/36/256071536.db2.gz PWGKVBJFHFMZCI-ZDUSSCGKSA-N 1 0 355.460 2.675 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000277278217 256180204 /nfs/dbraw/zinc/18/02/04/256180204.db2.gz BAAUQXOGKIWWEZ-AWEZNQCLSA-N 1 0 350.419 2.526 20 5 FFBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000277282348 256180492 /nfs/dbraw/zinc/18/04/92/256180492.db2.gz NOOFKRNQAUJISO-NSHDSACASA-N 1 0 357.357 2.753 20 5 FFBDRO CC(C)N1CC[NH+](C2CCN(c3c4c(ccc3[N+](=O)[O-])NCC4)CC2)CC1 ZINC000278381544 256306194 /nfs/dbraw/zinc/30/61/94/256306194.db2.gz LRHGEUMUVPGBJX-UHFFFAOYSA-N 1 0 373.501 2.558 20 5 FFBDRO O=[N+]([O-])c1ccc2[nH]c(NC3CC[NH+]([C@@H]4CCCC[C@@H]4O)CC3)nc2c1 ZINC000278396366 256307990 /nfs/dbraw/zinc/30/79/90/256307990.db2.gz GGWMYPQOROQVKU-SJORKVTESA-N 1 0 359.430 2.651 20 5 FFBDRO CCc1n[nH]c(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000278430114 256311799 /nfs/dbraw/zinc/31/17/99/256311799.db2.gz CYGFRFPWNGESIH-XJKSGUPXSA-N 1 0 371.441 2.521 20 5 FFBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000278326302 256299891 /nfs/dbraw/zinc/29/98/91/256299891.db2.gz VTANHRRGAONYKR-GJZGRUSLSA-N 1 0 360.458 2.701 20 5 FFBDRO COc1cc(C[NH2+]C[C@H](O)c2cc(F)cc(Cl)c2)c([N+](=O)[O-])cc1O ZINC000278822261 256351888 /nfs/dbraw/zinc/35/18/88/256351888.db2.gz UDFWXWLLLVSFFU-HNNXBMFYSA-N 1 0 370.764 2.925 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000281280346 256624269 /nfs/dbraw/zinc/62/42/69/256624269.db2.gz QDEWIQRPCRJJOV-MRXNPFEDSA-N 1 0 363.458 2.909 20 5 FFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H](CCO)c2ccc(Cl)cc2)c1 ZINC000286697285 257050310 /nfs/dbraw/zinc/05/03/10/257050310.db2.gz DOINYXRWCLQJFQ-IRXDYDNUSA-N 1 0 350.802 2.995 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000286791235 257055278 /nfs/dbraw/zinc/05/52/78/257055278.db2.gz IBYGEIJYCJLXIJ-CRAIPNDOSA-N 1 0 360.458 2.790 20 5 FFBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000286998634 257066202 /nfs/dbraw/zinc/06/62/02/257066202.db2.gz QUMHQONLYIPTKT-SWLSCSKDSA-N 1 0 366.849 2.745 20 5 FFBDRO C[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CCC(F)(F)CC1 ZINC000287010855 257066831 /nfs/dbraw/zinc/06/68/31/257066831.db2.gz QSKLFMPGLPMWDX-UHFFFAOYSA-N 1 0 353.369 2.994 20 5 FFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CC[C@](CO)(Cc3ccc(F)cc3)C2)c1 ZINC000288680375 257217751 /nfs/dbraw/zinc/21/77/51/257217751.db2.gz CRJXSCPJMDHXTE-PMACEKPBSA-N 1 0 374.412 2.694 20 5 FFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000289289981 257272249 /nfs/dbraw/zinc/27/22/49/257272249.db2.gz QYTXZNIIVPXHTF-IHRRRGAJSA-N 1 0 351.472 2.957 20 5 FFBDRO CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000289478012 257283167 /nfs/dbraw/zinc/28/31/67/257283167.db2.gz BNLFGXWTLBGZNX-MSOLQXFVSA-N 1 0 361.442 2.599 20 5 FFBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000289134916 257259389 /nfs/dbraw/zinc/25/93/89/257259389.db2.gz FGIDSBXBBBTKDL-KRWDZBQOSA-N 1 0 367.833 2.619 20 5 FFBDRO [NH3+][C@H]1CCc2nc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)sc2C1 ZINC000290026022 257311982 /nfs/dbraw/zinc/31/19/82/257311982.db2.gz TVSNQCLLWKHSPL-ZETCQYMHSA-N 1 0 352.803 2.773 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C[C@H]3CCCS(=O)(=O)C3)o2)c1 ZINC000290143200 257317343 /nfs/dbraw/zinc/31/73/43/257317343.db2.gz ODRBYHGWSRRNCH-CYBMUJFWSA-N 1 0 364.423 2.769 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H]3CCCS(=O)(=O)C3)o2)cc1 ZINC000290157580 257318068 /nfs/dbraw/zinc/31/80/68/257318068.db2.gz POSAORDAKBEDFE-CYBMUJFWSA-N 1 0 364.423 2.769 20 5 FFBDRO CCC[NH+]1CCC(N(C)c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C)CC1 ZINC000290295668 257324245 /nfs/dbraw/zinc/32/42/45/257324245.db2.gz WWUOZKSFUNRJBA-UHFFFAOYSA-N 1 0 358.446 2.701 20 5 FFBDRO CC[NH+](CC)[C@@H](CNc1nccc(C(N)=O)c1[N+](=O)[O-])c1ccccc1 ZINC000290596409 257345124 /nfs/dbraw/zinc/34/51/24/257345124.db2.gz YHQLEVIQVDAPLR-HNNXBMFYSA-N 1 0 357.414 2.584 20 5 FFBDRO Cc1cc(N2CC[C@@H](C(=O)N3CCCC3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000291165580 257389014 /nfs/dbraw/zinc/38/90/14/257389014.db2.gz QMLRJFITFCUUSP-CQSZACIVSA-N 1 0 354.410 2.900 20 5 FFBDRO CC1CC[NH+](C[C@H](O)CNc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000301172676 258031128 /nfs/dbraw/zinc/03/11/28/258031128.db2.gz KSKJSMOAAWFDBE-CYBMUJFWSA-N 1 0 372.263 2.862 20 5 FFBDRO COc1cc[nH+]c(N2CCN(c3ccc([N+](=O)[O-])c4cnccc43)CC2)c1 ZINC000301177689 258032056 /nfs/dbraw/zinc/03/20/56/258032056.db2.gz GUJPJUJADRTDBP-UHFFFAOYSA-N 1 0 365.393 2.873 20 5 FFBDRO CC(C)NC(=O)c1ccc(N2CCC[C@@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000301234724 258035816 /nfs/dbraw/zinc/03/58/16/258035816.db2.gz HAKGNNNTYNOSSN-MRXNPFEDSA-N 1 0 360.458 2.798 20 5 FFBDRO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1CCN(c2cc[nH+]cc2)CC1 ZINC000301371409 258045597 /nfs/dbraw/zinc/04/55/97/258045597.db2.gz TYRKPLHNHIVLNO-UHFFFAOYSA-N 1 0 374.372 2.632 20 5 FFBDRO Cc1cc(N2CCN(CC(C)C)C(=O)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000302396654 258100512 /nfs/dbraw/zinc/10/05/12/258100512.db2.gz JERWYEUUWGPFFW-UHFFFAOYSA-N 1 0 369.425 2.665 20 5 FFBDRO Cc1ccc(N(C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000302444188 258101987 /nfs/dbraw/zinc/10/19/87/258101987.db2.gz NRLLIHYEELDBAK-FQEVSTJZSA-N 1 0 355.438 2.976 20 5 FFBDRO CC1(C)CN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC[N@@H+]1CCO ZINC000302505047 258103868 /nfs/dbraw/zinc/10/38/68/258103868.db2.gz DNXXRPOBSADNKG-UHFFFAOYSA-N 1 0 356.426 2.550 20 5 FFBDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1c1ccc(Br)cc1[N+](=O)[O-] ZINC000302568639 258106350 /nfs/dbraw/zinc/10/63/50/258106350.db2.gz XXHTXVRDPQRFPF-NSHDSACASA-N 1 0 372.263 2.639 20 5 FFBDRO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1cccc(-n2ccnc2)c1 ZINC000302604152 258106506 /nfs/dbraw/zinc/10/65/06/258106506.db2.gz CUBNHJQOYBCBTQ-UHFFFAOYSA-N 1 0 359.363 2.976 20 5 FFBDRO O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N1CC[NH+]2CCC1CC2 ZINC000302749647 258109680 /nfs/dbraw/zinc/10/96/80/258109680.db2.gz GONWPDZIRYUQAW-UHFFFAOYSA-N 1 0 360.292 2.806 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)CCN2 ZINC000302882847 258113535 /nfs/dbraw/zinc/11/35/35/258113535.db2.gz KGOXRUGFHDRWFC-HZPDHXFCSA-N 1 0 368.437 2.610 20 5 FFBDRO COc1cc(F)c([N+](=O)[O-])c(NC2CC[NH+](C3CCN(C)CC3)CC2)c1 ZINC000301429811 258049397 /nfs/dbraw/zinc/04/93/97/258049397.db2.gz FVPFXJVERPHQRS-UHFFFAOYSA-N 1 0 366.437 2.713 20 5 FFBDRO C[N@H+](CCNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000301534604 258054368 /nfs/dbraw/zinc/05/43/68/258054368.db2.gz MCLFXKXWZBSRIM-UHFFFAOYSA-N 1 0 371.372 2.927 20 5 FFBDRO O=[N+]([O-])c1cc(Br)cnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000301700188 258063476 /nfs/dbraw/zinc/06/34/76/258063476.db2.gz SATLSRUBDCNCKZ-LBPRGKRZSA-N 1 0 355.236 2.817 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])c(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1Cl ZINC000301732620 258065484 /nfs/dbraw/zinc/06/54/84/258065484.db2.gz YRRTXMKILAAHQJ-SMDDNHRTSA-N 1 0 367.833 2.955 20 5 FFBDRO CC(C)C[N@@H+]1CCC[C@H](CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000301757283 258066611 /nfs/dbraw/zinc/06/66/11/258066611.db2.gz DXZSLNAUZCZUHZ-CQSZACIVSA-N 1 0 369.487 2.778 20 5 FFBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000302002630 258081746 /nfs/dbraw/zinc/08/17/46/258081746.db2.gz XHTIBDBIDHCKMY-MRXNPFEDSA-N 1 0 374.485 2.903 20 5 FFBDRO CC(C)c1n[nH]c(C(=O)NCC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000331209921 258179812 /nfs/dbraw/zinc/17/98/12/258179812.db2.gz HFQAXMDKMSQPPR-STQMWFEESA-N 1 0 365.478 2.928 20 5 FFBDRO CS[C@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C[C@H]1[NH+](C)C ZINC000331473373 258187560 /nfs/dbraw/zinc/18/75/60/258187560.db2.gz KVIYIUIWOLMNNJ-DOMZBBRYSA-N 1 0 365.480 2.927 20 5 FFBDRO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NC1CC[NH+](C2CCCC2)CC1 ZINC000331874208 258203829 /nfs/dbraw/zinc/20/38/29/258203829.db2.gz BUUULHMKZIAGFW-UHFFFAOYSA-N 1 0 367.396 2.939 20 5 FFBDRO Cc1ccc(C)c(S(=O)(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)c1[N+](=O)[O-] ZINC000331953703 258207703 /nfs/dbraw/zinc/20/77/03/258207703.db2.gz PFBGRGVZFMOKDM-AWEZNQCLSA-N 1 0 367.471 2.507 20 5 FFBDRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000332317602 258225088 /nfs/dbraw/zinc/22/50/88/258225088.db2.gz VFVXEAXMWFJIQL-GASCZTMLSA-N 1 0 361.442 2.837 20 5 FFBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3ccc(OC(F)F)c([N+](=O)[O-])c3)CC[C@H]21 ZINC000332485919 258232010 /nfs/dbraw/zinc/23/20/10/258232010.db2.gz AWAGWPRYPZUFAR-CHWSQXEVSA-N 1 0 369.368 2.753 20 5 FFBDRO Cc1cc(NC(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)ccc1[N+](=O)[O-] ZINC000332565597 258235558 /nfs/dbraw/zinc/23/55/58/258235558.db2.gz XAYPMCFMPURAND-NVXWUHKLSA-N 1 0 362.430 2.653 20 5 FFBDRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000332659279 258239275 /nfs/dbraw/zinc/23/92/75/258239275.db2.gz WOYUNVWDZNIXGX-JQWIXIFHSA-N 1 0 355.341 2.505 20 5 FFBDRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000332659281 258239303 /nfs/dbraw/zinc/23/93/03/258239303.db2.gz WOYUNVWDZNIXGX-PWSUYJOCSA-N 1 0 355.341 2.505 20 5 FFBDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000052842944 506261074 /nfs/dbraw/zinc/26/10/74/506261074.db2.gz KWHPXEZZFFAJTD-OAHLLOKOSA-N 1 0 371.441 2.775 20 5 FFBDRO Cc1noc([C@H]2CCC[N@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3C)C2)n1 ZINC000052862433 506268733 /nfs/dbraw/zinc/26/87/33/506268733.db2.gz WOPIYHVSKLMQPU-AWEZNQCLSA-N 1 0 373.413 2.803 20 5 FFBDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000053303790 506351019 /nfs/dbraw/zinc/35/10/19/506351019.db2.gz SPJZKVXEAVORIX-HUUCEWRRSA-N 1 0 363.458 2.846 20 5 FFBDRO C[N@@H+]1CC[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(F)cc1 ZINC000371063016 512199211 /nfs/dbraw/zinc/19/92/11/512199211.db2.gz MQNMTFMQZGDEQC-IEBWSBKVSA-N 1 0 357.385 2.838 20 5 FFBDRO Cn1cc(-c2ncc(C[NH2+]C(C)(C)c3ccc([N+](=O)[O-])cc3)cn2)cn1 ZINC000366835978 512209590 /nfs/dbraw/zinc/20/95/90/512209590.db2.gz CMKVBBBLZLHZMR-UHFFFAOYSA-N 1 0 352.398 2.810 20 5 FFBDRO O=C1Nc2ccccc2[C@]12CC[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000375311672 512261971 /nfs/dbraw/zinc/26/19/71/512261971.db2.gz XSFCIVVFESZROD-LJQANCHMSA-N 1 0 353.378 2.569 20 5 FFBDRO CNC(=O)c1ccc(NC[C@H](c2cccc(OC)c2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000053550532 506401711 /nfs/dbraw/zinc/40/17/11/506401711.db2.gz FZIXTPPPBCOIFF-GOSISDBHSA-N 1 0 372.425 2.678 20 5 FFBDRO Cc1ccc(S(=O)(=O)N(C)CC[N@H+](C)C2CCCCC2)cc1[N+](=O)[O-] ZINC000065971454 506402726 /nfs/dbraw/zinc/40/27/26/506402726.db2.gz RWNZXYNWNHEJLT-UHFFFAOYSA-N 1 0 369.487 2.788 20 5 FFBDRO CCCC[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000066543604 506549714 /nfs/dbraw/zinc/54/97/14/506549714.db2.gz QJOCAMQWOKQITD-MRXNPFEDSA-N 1 0 370.471 2.653 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+]2CCC(c3ccc(O)cc3)CC2)c1 ZINC000055290653 506720350 /nfs/dbraw/zinc/72/03/50/506720350.db2.gz RBQBASWKZBAVIJ-LJQANCHMSA-N 1 0 372.421 2.920 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCc1cnc2n1CCCC2 ZINC000367015468 512297442 /nfs/dbraw/zinc/29/74/42/512297442.db2.gz KSPMVLPGJZZVNT-UHFFFAOYSA-N 1 0 359.386 2.848 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000045851802 507033396 /nfs/dbraw/zinc/03/33/96/507033396.db2.gz CJGSGPGNGPLEOU-MRXNPFEDSA-N 1 0 361.373 2.775 20 5 FFBDRO O=C(COc1cccc([N+](=O)[O-])c1)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000046144704 507085442 /nfs/dbraw/zinc/08/54/42/507085442.db2.gz YPVUWXACCYSXPW-MRXNPFEDSA-N 1 0 359.382 2.520 20 5 FFBDRO C[C@H](CNc1ccc(C(N)=O)cc1[N+](=O)[O-])[N@@H+]1CCc2sccc2C1 ZINC000046479123 507141322 /nfs/dbraw/zinc/14/13/22/507141322.db2.gz VPEGLZXAFJOIGV-LLVKDONJSA-N 1 0 360.439 2.614 20 5 FFBDRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000068313187 507184136 /nfs/dbraw/zinc/18/41/36/507184136.db2.gz DZCGTKGHUVFIKW-UHFFFAOYSA-N 1 0 353.325 2.670 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC([NH+](C)C)CC1 ZINC000068352471 507197532 /nfs/dbraw/zinc/19/75/32/507197532.db2.gz RRBCTFGMJRBESR-LLVKDONJSA-N 1 0 355.822 2.568 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000068383049 507209995 /nfs/dbraw/zinc/20/99/95/507209995.db2.gz RCRMYMIPRFFEBW-IACUBPJLSA-N 1 0 367.833 2.759 20 5 FFBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NCC[N@@H+]2CCCC[C@H]2C)cc1OC ZINC000046859956 507210951 /nfs/dbraw/zinc/21/09/51/507210951.db2.gz YNJZWEGFSPDWPO-CYBMUJFWSA-N 1 0 365.430 2.606 20 5 FFBDRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000047142646 507271658 /nfs/dbraw/zinc/27/16/58/507271658.db2.gz PMWMGYSTOWZITO-OAHLLOKOSA-N 1 0 360.458 2.799 20 5 FFBDRO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000047142648 507272396 /nfs/dbraw/zinc/27/23/96/507272396.db2.gz PMWMGYSTOWZITO-HNNXBMFYSA-N 1 0 360.458 2.799 20 5 FFBDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000047226952 507287665 /nfs/dbraw/zinc/28/76/65/507287665.db2.gz OLMPWWDAEBKMAH-IAGOWNOFSA-N 1 0 372.469 2.554 20 5 FFBDRO COC(=O)c1cc(C(=O)Nc2cccc(C[NH+](C)C)c2)cc([N+](=O)[O-])c1 ZINC000047452718 507336821 /nfs/dbraw/zinc/33/68/21/507336821.db2.gz OAXVAFJVBLSFJG-UHFFFAOYSA-N 1 0 357.366 2.695 20 5 FFBDRO O=C(CC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1)Nc1ccccc1F ZINC000047745593 507388224 /nfs/dbraw/zinc/38/82/24/507388224.db2.gz GTGXQOXXQBHKBF-UHFFFAOYSA-N 1 0 372.400 2.885 20 5 FFBDRO CC1CC[NH+](CCCNC(=O)CSc2ccc([N+](=O)[O-])cc2)CC1 ZINC000024316357 507402487 /nfs/dbraw/zinc/40/24/87/507402487.db2.gz NYONDAUNMNHVRD-UHFFFAOYSA-N 1 0 351.472 2.925 20 5 FFBDRO C[C@H](CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000047917180 507414018 /nfs/dbraw/zinc/41/40/18/507414018.db2.gz IMSDUXBYXQKZBF-OAHLLOKOSA-N 1 0 360.458 2.657 20 5 FFBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000058500564 507429728 /nfs/dbraw/zinc/42/97/28/507429728.db2.gz PSXRZXGIVMTYMI-XQQFMLRXSA-N 1 0 373.500 2.682 20 5 FFBDRO CCOC(=O)C1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000026161640 507564289 /nfs/dbraw/zinc/56/42/89/507564289.db2.gz CGOBSDOMDVWJSQ-UHFFFAOYSA-N 1 0 363.414 2.507 20 5 FFBDRO CC1CCN(c2ccc(C(=O)NC3CC[NH+](C)CC3)cc2[N+](=O)[O-])CC1 ZINC000060855802 507582752 /nfs/dbraw/zinc/58/27/52/507582752.db2.gz JWNOSVPXAVLUHR-UHFFFAOYSA-N 1 0 360.458 2.655 20 5 FFBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000026956349 507623664 /nfs/dbraw/zinc/62/36/64/507623664.db2.gz IGPDIGMTEKFDLE-UHFFFAOYSA-N 1 0 369.487 2.836 20 5 FFBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000049795030 507639608 /nfs/dbraw/zinc/63/96/08/507639608.db2.gz LALQNFMWGMKXCI-GOSISDBHSA-N 1 0 370.453 2.909 20 5 FFBDRO CNc1ccc(C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000027581311 507668006 /nfs/dbraw/zinc/66/80/06/507668006.db2.gz LRVUCFLCIFYWIM-INIZCTEOSA-N 1 0 356.426 2.539 20 5 FFBDRO CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000028917729 507749578 /nfs/dbraw/zinc/74/95/78/507749578.db2.gz VQTBXTOPYYUWKN-SCLBCKFNSA-N 1 0 373.409 2.644 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000030339131 507806862 /nfs/dbraw/zinc/80/68/62/507806862.db2.gz FUJJWRPAWSGJFO-UHFFFAOYSA-N 1 0 369.487 2.836 20 5 FFBDRO O=C(Cc1ccccc1[N+](=O)[O-])NCC1([NH+]2CCSCC2)CCCC1 ZINC000031960330 507822650 /nfs/dbraw/zinc/82/26/50/507822650.db2.gz CFAIOLXJZBWFIB-UHFFFAOYSA-N 1 0 363.483 2.615 20 5 FFBDRO CN(CC[C@H]1CCCC[N@@H+]1C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000072725330 507848010 /nfs/dbraw/zinc/84/80/10/507848010.db2.gz OFANTYOTYCZJFT-CYBMUJFWSA-N 1 0 368.865 2.993 20 5 FFBDRO CNC(=O)c1ccc(N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000078506450 507877918 /nfs/dbraw/zinc/87/79/18/507877918.db2.gz ARSUSXYKLIYTHI-QGZVFWFLSA-N 1 0 368.437 2.665 20 5 FFBDRO CCO[C@H]1C[C@H]([N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)C12CCCCC2 ZINC000090550706 507926888 /nfs/dbraw/zinc/92/68/88/507926888.db2.gz ZBNMUCQQFWEKKQ-IRXDYDNUSA-N 1 0 363.458 2.816 20 5 FFBDRO COc1cc(C(=O)N2C[C@H]([NH+](C)C)Cc3ccccc32)ccc1[N+](=O)[O-] ZINC000109112780 507940240 /nfs/dbraw/zinc/94/02/40/507940240.db2.gz FPTYNCRMOKYZCS-OAHLLOKOSA-N 1 0 355.394 2.737 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](CCCO)CC(C)(C)C ZINC000109747654 507984144 /nfs/dbraw/zinc/98/41/44/507984144.db2.gz BMNPMLYECCHIMG-UHFFFAOYSA-N 1 0 351.447 2.962 20 5 FFBDRO COc1cc(C[N@@H+]2CC[C@@]3(C2)C(=O)Nc2ccccc23)c([N+](=O)[O-])cc1F ZINC000373514970 512372417 /nfs/dbraw/zinc/37/24/17/512372417.db2.gz WPGDTYWLKRSTEG-IBGZPJMESA-N 1 0 371.368 2.838 20 5 FFBDRO COc1ccc(C(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000110353450 508023209 /nfs/dbraw/zinc/02/32/09/508023209.db2.gz PSNHYSYYQQJESQ-CQSZACIVSA-N 1 0 357.410 2.854 20 5 FFBDRO Cn1ccnc1[C@@H](O)[C@H]1CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000092010484 508033177 /nfs/dbraw/zinc/03/31/77/508033177.db2.gz VJLOMMCOTSJHGU-NQMAARMTSA-N 1 0 356.426 2.787 20 5 FFBDRO CC(=O)Nc1ccc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000092047901 508037987 /nfs/dbraw/zinc/03/79/87/508037987.db2.gz ZBRSZDFLNNGFRZ-UHFFFAOYSA-N 1 0 354.410 2.875 20 5 FFBDRO Cc1cc(C(=O)NCC2([NH+]3CCCCC3)CCOCC2)cc([N+](=O)[O-])c1 ZINC000111100768 508070999 /nfs/dbraw/zinc/07/09/99/508070999.db2.gz JQLKYPSIXHFEBT-UHFFFAOYSA-N 1 0 361.442 2.668 20 5 FFBDRO CN1CC[NH+](CC2CCN(c3ccc([N+](=O)[O-])c4cccnc43)CC2)CC1 ZINC000092622405 508088831 /nfs/dbraw/zinc/08/88/31/508088831.db2.gz CBQUCFLCBQKCPG-UHFFFAOYSA-N 1 0 369.469 2.607 20 5 FFBDRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000080708018 508095922 /nfs/dbraw/zinc/09/59/22/508095922.db2.gz KHQFQYLKAUKBHJ-MRXNPFEDSA-N 1 0 360.458 2.511 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)Cc1cccc(O)c1 ZINC000080921653 508112081 /nfs/dbraw/zinc/11/20/81/508112081.db2.gz VISDKWVKMUNATD-UHFFFAOYSA-N 1 0 359.382 2.770 20 5 FFBDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000081129008 508140982 /nfs/dbraw/zinc/14/09/82/508140982.db2.gz CWYRRJPPVCLTNU-GOSISDBHSA-N 1 0 369.421 2.707 20 5 FFBDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000081129012 508141034 /nfs/dbraw/zinc/14/10/34/508141034.db2.gz CWYRRJPPVCLTNU-SFHVURJKSA-N 1 0 369.421 2.707 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000075942943 508145529 /nfs/dbraw/zinc/14/55/29/508145529.db2.gz LUJHWMCLNCBCLP-UHFFFAOYSA-N 1 0 350.419 2.845 20 5 FFBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000081332593 508163558 /nfs/dbraw/zinc/16/35/58/508163558.db2.gz LKAUKIUCBWIWSE-OAHLLOKOSA-N 1 0 371.441 2.584 20 5 FFBDRO CC(C)OCC[NH+]1CCC(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000081997787 508224208 /nfs/dbraw/zinc/22/42/08/508224208.db2.gz JEJDGJUOPPRPMW-UHFFFAOYSA-N 1 0 374.441 2.695 20 5 FFBDRO O=[N+]([O-])c1cccc(OCC[NH+]2CCC(OC[C@H]3CCCO3)CC2)c1 ZINC000083411824 508244419 /nfs/dbraw/zinc/24/44/19/508244419.db2.gz RHJOAXHSRBZOED-GOSISDBHSA-N 1 0 350.415 2.634 20 5 FFBDRO CN(c1ccccc1)c1ccc(C[NH2+]C[C@@H]2CCC(=O)N2)cc1[N+](=O)[O-] ZINC000076759146 508251970 /nfs/dbraw/zinc/25/19/70/508251970.db2.gz GVDBDBLTPIGRNC-HNNXBMFYSA-N 1 0 354.410 2.731 20 5 FFBDRO CC[NH+]1CCN(c2ccc(CNc3ccc(F)cc3[N+](=O)[O-])cn2)CC1 ZINC000076804212 508254920 /nfs/dbraw/zinc/25/49/20/508254920.db2.gz SAGKVKJRLUAKON-UHFFFAOYSA-N 1 0 359.405 2.883 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@H](O)COCC3CC3)cs2)c1 ZINC000113331561 508261447 /nfs/dbraw/zinc/26/14/47/508261447.db2.gz JOVMIKTVCXPXLH-INIZCTEOSA-N 1 0 363.439 2.595 20 5 FFBDRO C[NH+](C)C[C@H]1CCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000113450350 508268811 /nfs/dbraw/zinc/26/88/11/508268811.db2.gz MUWBNUXLWSKELZ-GFCCVEGCSA-N 1 0 360.439 2.742 20 5 FFBDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000113900182 508285072 /nfs/dbraw/zinc/28/50/72/508285072.db2.gz LWVUMMULJBMCBS-GJZGRUSLSA-N 1 0 360.458 2.904 20 5 FFBDRO C[C@@H]1C[N@@H+](CCCCNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000085457856 508309561 /nfs/dbraw/zinc/30/95/61/508309561.db2.gz STOVDBPNMBZSAO-BETUJISGSA-N 1 0 369.849 2.867 20 5 FFBDRO Cn1cc(C[NH2+]CCCOC[C@H]2CCOC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000077447512 508316926 /nfs/dbraw/zinc/31/69/26/508316926.db2.gz MDTOILPITIWUSJ-OAHLLOKOSA-N 1 0 374.441 2.528 20 5 FFBDRO COc1ccc(C[NH2+]C[C@@](C)(O)c2ccc(F)cc2F)cc1[N+](=O)[O-] ZINC000114509560 508323190 /nfs/dbraw/zinc/32/31/90/508323190.db2.gz DWSYBPQROODXCH-QGZVFWFLSA-N 1 0 352.337 2.879 20 5 FFBDRO CS(=O)(=O)c1cccc(NCCCc2nc3ccccc3[nH]2)c1[N+](=O)[O-] ZINC000121803679 508421680 /nfs/dbraw/zinc/42/16/80/508421680.db2.gz IPHZYQFMIUWWNU-UHFFFAOYSA-N 1 0 374.422 2.919 20 5 FFBDRO Cc1ccc(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)c(OCC[NH+](C)C)c1 ZINC000133608810 508424443 /nfs/dbraw/zinc/42/44/43/508424443.db2.gz DLLYDINWFQLTIF-UHFFFAOYSA-N 1 0 358.398 2.678 20 5 FFBDRO C[C@H]([NH2+]CCN(C)S(=O)(=O)c1cccs1)c1ccc([N+](=O)[O-])cc1 ZINC000152444512 508447485 /nfs/dbraw/zinc/44/74/85/508447485.db2.gz QZLOJCSOIYOWLG-LBPRGKRZSA-N 1 0 369.468 2.628 20 5 FFBDRO Cc1cc(CN2CCN(Cc3ccc(Cl)c([N+](=O)[O-])c3)CC2)on1 ZINC000121965660 508458909 /nfs/dbraw/zinc/45/89/09/508458909.db2.gz YHRPIBBQWHLFMG-UHFFFAOYSA-N 1 0 350.806 2.862 20 5 FFBDRO C[NH+](C)Cc1cccc(CNC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000122034486 508470880 /nfs/dbraw/zinc/47/08/80/508470880.db2.gz KQGCNAUYWXFDRA-UHFFFAOYSA-N 1 0 368.437 2.924 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000127618228 508476978 /nfs/dbraw/zinc/47/69/78/508476978.db2.gz KWANIGKEVHABPE-OAHLLOKOSA-N 1 0 364.446 2.786 20 5 FFBDRO C[C@H]1CCCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H]1C[NH3+] ZINC000156807661 508480475 /nfs/dbraw/zinc/48/04/75/508480475.db2.gz IOEFQIYQKDPSKT-NHYWBVRUSA-N 1 0 360.439 2.918 20 5 FFBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134929276 508576134 /nfs/dbraw/zinc/57/61/34/508576134.db2.gz NJYNWJUTOZPPFZ-QMTMVMCOSA-N 1 0 372.469 2.871 20 5 FFBDRO CCOc1cc(C[N@H+](C)CCn2cc([N+](=O)[O-])cn2)ccc1OC(F)F ZINC000157633573 508590415 /nfs/dbraw/zinc/59/04/15/508590415.db2.gz CGGPVYRAWZGVLG-UHFFFAOYSA-N 1 0 370.356 2.923 20 5 FFBDRO Cc1sc(S(=O)(=O)NCCC[N@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000122870842 508599608 /nfs/dbraw/zinc/59/96/08/508599608.db2.gz NEUCXARRMBREEG-NSHDSACASA-N 1 0 361.489 2.508 20 5 FFBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000153625771 508611719 /nfs/dbraw/zinc/61/17/19/508611719.db2.gz CUGOWEFIORTBBT-CQSZACIVSA-N 1 0 352.435 2.690 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000123129598 508641324 /nfs/dbraw/zinc/64/13/24/508641324.db2.gz GBGQCZRTSFWWLU-UHFFFAOYSA-N 1 0 358.398 2.987 20 5 FFBDRO C[C@H]1CCCN(c2ccc(C(=O)NCC[NH2+]C(C)(C)C)cc2[N+](=O)[O-])C1 ZINC000153891199 508671469 /nfs/dbraw/zinc/67/14/69/508671469.db2.gz MUHZKMJSRIZCBA-AWEZNQCLSA-N 1 0 362.474 2.949 20 5 FFBDRO C[C@@H]1C[C@@H](NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C[N@@H+]1C1CC1 ZINC000123436148 508686683 /nfs/dbraw/zinc/68/66/83/508686683.db2.gz DCBZCEJZKQHZFA-UKRRQHHQSA-N 1 0 358.442 2.894 20 5 FFBDRO COc1cc(C[NH2+]C[C@H](C)CO)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000123478118 508693673 /nfs/dbraw/zinc/69/36/73/508693673.db2.gz NQHIOWFICABZRJ-AWEZNQCLSA-N 1 0 360.410 2.900 20 5 FFBDRO Cn1c(Sc2cc(Cl)ccc2[N+](=O)[O-])nnc1[C@@H]1CCC[NH2+]C1 ZINC000367265348 512415201 /nfs/dbraw/zinc/41/52/01/512415201.db2.gz VLOKEWNPYAKHEK-SECBINFHSA-N 1 0 353.835 2.995 20 5 FFBDRO C[C@@H]1C[C@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)C[N@@H+]1Cc1ccccc1 ZINC000137455645 508756447 /nfs/dbraw/zinc/75/64/47/508756447.db2.gz WDRKRUHYXLLZEF-WBVHZDCISA-N 1 0 369.421 2.753 20 5 FFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCC(OC[C@@H]3CCCCO3)CC2)c1 ZINC000154419046 508780301 /nfs/dbraw/zinc/78/03/01/508780301.db2.gz UHPKEUBUDMILCH-OALUTQOASA-N 1 0 364.442 2.678 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@]1(N2CCOCC2)CCSC1 ZINC000154439784 508785582 /nfs/dbraw/zinc/78/55/82/508785582.db2.gz PZSMHLHZXFRYQR-YJBOKZPZSA-N 1 0 365.499 2.762 20 5 FFBDRO Cc1c([C@@H](C)[NH2+]C[C@]2(N3CCOCC3)CCSC2)cccc1[N+](=O)[O-] ZINC000154440350 508785680 /nfs/dbraw/zinc/78/56/80/508785680.db2.gz CCNGUIXFRCHHFA-CRAIPNDOSA-N 1 0 365.499 2.762 20 5 FFBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000119403417 508789513 /nfs/dbraw/zinc/78/95/13/508789513.db2.gz UAXQOBSNXIIFFA-INIZCTEOSA-N 1 0 360.458 2.701 20 5 FFBDRO CCN(CC)C(=O)C1([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000154549027 508807430 /nfs/dbraw/zinc/80/74/30/508807430.db2.gz MJABKSIASFKYQF-KRWDZBQOSA-N 1 0 363.458 2.789 20 5 FFBDRO O=C(NCc1ccccc1[N+](=O)[O-])N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000124321628 508815107 /nfs/dbraw/zinc/81/51/07/508815107.db2.gz LFHSQGZGOXFUBT-NVXWUHKLSA-N 1 0 358.442 2.753 20 5 FFBDRO C[N@H+](CCCNC(=O)NCCc1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000159289362 508819708 /nfs/dbraw/zinc/81/97/08/508819708.db2.gz OOOBGPUYZUEUJX-UHFFFAOYSA-N 1 0 370.453 2.959 20 5 FFBDRO C[NH+](C)CC[C@H](NC(=O)NCCc1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000119579643 508822433 /nfs/dbraw/zinc/82/24/33/508822433.db2.gz RXWGOMWUVUSJTG-INIZCTEOSA-N 1 0 350.463 2.803 20 5 FFBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)CCCn1ccnc1 ZINC000124382669 508823713 /nfs/dbraw/zinc/82/37/13/508823713.db2.gz TVZPMYLCKUCDQK-LBPRGKRZSA-N 1 0 365.821 2.794 20 5 FFBDRO COc1ccc(-c2ccc(C[N@@H+]3C[C@H](C(N)=O)CC[C@@H]3C)o2)c([N+](=O)[O-])c1 ZINC000159604402 508864424 /nfs/dbraw/zinc/86/44/24/508864424.db2.gz KTFZZGLSCLWPBM-QWHCGFSZSA-N 1 0 373.409 2.949 20 5 FFBDRO O=C(NCC[NH+]1CCCCCC1)c1ccc([N+](=O)[O-])cc1Br ZINC000159652981 508872094 /nfs/dbraw/zinc/87/20/94/508872094.db2.gz BALNGNWLTSKXFA-UHFFFAOYSA-N 1 0 370.247 2.963 20 5 FFBDRO CC(C)[NH+]1CCC(NC(=O)CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC1 ZINC000130981591 508872852 /nfs/dbraw/zinc/87/28/52/508872852.db2.gz LACZQDJBEXGXRP-UHFFFAOYSA-N 1 0 374.485 2.548 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000119841097 508874182 /nfs/dbraw/zinc/87/41/82/508874182.db2.gz RPWNZFGHIWXNIO-KDOFPFPSSA-N 1 0 369.421 2.854 20 5 FFBDRO CCC[N@H+](CC)CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000124785304 508884100 /nfs/dbraw/zinc/88/41/00/508884100.db2.gz ITGRVCOEUMBYDD-UHFFFAOYSA-N 1 0 372.263 2.748 20 5 FFBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000150809071 508897339 /nfs/dbraw/zinc/89/73/39/508897339.db2.gz YHOSLLIJBBAAMO-MGPQQGTHSA-N 1 0 351.422 2.759 20 5 FFBDRO CN(Cc1cn(C)nc1C(F)(F)F)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000155001421 508901190 /nfs/dbraw/zinc/90/11/90/508901190.db2.gz DBKKRYMNZCMEMW-ZDUSSCGKSA-N 1 0 358.320 2.513 20 5 FFBDRO CC(=O)Nc1c[nH]nc1[C@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000369473331 512426667 /nfs/dbraw/zinc/42/66/67/512426667.db2.gz WDUYUQRWUQUCBG-AWEZNQCLSA-N 1 0 373.413 2.535 20 5 FFBDRO COc1cc(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000160061750 508932599 /nfs/dbraw/zinc/93/25/99/508932599.db2.gz GLAMVDKMKIXNKZ-KRWDZBQOSA-N 1 0 369.421 2.998 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H]3CCCS3(=O)=O)o2)cc1 ZINC000131701329 508961289 /nfs/dbraw/zinc/96/12/89/508961289.db2.gz VDUAMIUBBOTFOZ-HNNXBMFYSA-N 1 0 350.396 2.522 20 5 FFBDRO CC[NH+]1CCC(CCNC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)CC1 ZINC000125395427 508977308 /nfs/dbraw/zinc/97/73/08/508977308.db2.gz YBUMWJNPAAGBFM-UHFFFAOYSA-N 1 0 360.458 2.785 20 5 FFBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)CC[C@@H]21 ZINC000155343534 508981439 /nfs/dbraw/zinc/98/14/39/508981439.db2.gz WPNPIWPFMAVVIH-YOEHRIQHSA-N 1 0 358.442 2.725 20 5 FFBDRO CCC([NH3+])(CC)CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000160466662 508990675 /nfs/dbraw/zinc/99/06/75/508990675.db2.gz NANQSUNCSPMCIF-UHFFFAOYSA-N 1 0 351.450 2.788 20 5 FFBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000120509402 509010724 /nfs/dbraw/zinc/01/07/24/509010724.db2.gz CKUCIAZYQPYRRM-RDJZCZTQSA-N 1 0 374.485 2.610 20 5 FFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000160710402 509023340 /nfs/dbraw/zinc/02/33/40/509023340.db2.gz JCGZICOKOHMMKG-QGZVFWFLSA-N 1 0 360.458 2.999 20 5 FFBDRO O=C(CCC1CC[NH2+]CC1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000155723952 509059589 /nfs/dbraw/zinc/05/95/89/509059589.db2.gz XIIIVAKUXQRDKD-UHFFFAOYSA-N 1 0 361.442 2.744 20 5 FFBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000120858532 509077300 /nfs/dbraw/zinc/07/73/00/509077300.db2.gz SWEPWGIIYBXFLQ-NSHDSACASA-N 1 0 356.220 2.524 20 5 FFBDRO COC(=O)[C@H](C)Oc1ccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000155989902 509105894 /nfs/dbraw/zinc/10/58/94/509105894.db2.gz YBPZBNYRZBDQQC-AWEZNQCLSA-N 1 0 358.394 2.867 20 5 FFBDRO Cc1ccc(NCCC[NH2+][C@@H](C(N)=O)c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000151924255 509111675 /nfs/dbraw/zinc/11/16/75/509111675.db2.gz KNAMQKHPOHHNOC-QGZVFWFLSA-N 1 0 360.389 2.661 20 5 FFBDRO COc1cc(C(=O)N(CC[NH+](C)C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000161501079 509122458 /nfs/dbraw/zinc/12/24/58/509122458.db2.gz CIWBDURHPVSZEN-UHFFFAOYSA-N 1 0 357.410 2.807 20 5 FFBDRO O=C(CC[NH+]1CCN(c2cccs2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000121214757 509151413 /nfs/dbraw/zinc/15/14/13/509151413.db2.gz DVHRARFJAQPVKL-UHFFFAOYSA-N 1 0 360.439 2.807 20 5 FFBDRO CCOC(=O)c1ccnc(N(CC[NH+](C)C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000161914120 509164164 /nfs/dbraw/zinc/16/41/64/509164164.db2.gz OSURZNBOCVBHSG-UHFFFAOYSA-N 1 0 372.425 2.735 20 5 FFBDRO Cc1c(Br)cc(C(=O)N2CCC[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000121429717 509173565 /nfs/dbraw/zinc/17/35/65/509173565.db2.gz HIDCPQBNDOZTBX-GFCCVEGCSA-N 1 0 370.247 2.832 20 5 FFBDRO O=C(NC1CC1)[C@H]1CCCN1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000121444534 509174219 /nfs/dbraw/zinc/17/42/19/509174219.db2.gz UTWUJYVYUGHUND-MRXNPFEDSA-N 1 0 372.450 2.961 20 5 FFBDRO C[C@@H]1C[NH+](CC2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)C[C@@H](C)O1 ZINC000263850050 509185641 /nfs/dbraw/zinc/18/56/41/509185641.db2.gz YDGCJQRNUDRFET-HUUCEWRRSA-N 1 0 361.442 2.556 20 5 FFBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000185491960 509204092 /nfs/dbraw/zinc/20/40/92/509204092.db2.gz DZMNDKSUUPEUIR-KBPBESRZSA-N 1 0 351.422 2.932 20 5 FFBDRO CCCN(CC[NH+](CC)CC)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000162423350 509221338 /nfs/dbraw/zinc/22/13/38/509221338.db2.gz ULBYRNTYZBUCLO-UHFFFAOYSA-N 1 0 357.476 2.557 20 5 FFBDRO CC(C)[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CC1 ZINC000198233279 509223577 /nfs/dbraw/zinc/22/35/77/509223577.db2.gz HREVANDYAMEVQT-UHFFFAOYSA-N 1 0 360.458 2.798 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCN(CCOc3ccc(Cl)cc3)CC2)cn1 ZINC000198693705 509228327 /nfs/dbraw/zinc/22/83/27/509228327.db2.gz GXRJTUARLHSMOQ-UHFFFAOYSA-N 1 0 362.817 2.844 20 5 FFBDRO CCC[N@H+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C1 ZINC000172788277 509236217 /nfs/dbraw/zinc/23/62/17/509236217.db2.gz CMUMGVASWYOMED-MRXNPFEDSA-N 1 0 374.485 2.999 20 5 FFBDRO CCOc1cc(C(=O)NCCC[NH+]2CCCCC2)c([N+](=O)[O-])cc1OC ZINC000248124445 509239598 /nfs/dbraw/zinc/23/95/98/509239598.db2.gz DNXGLXGFYTVYHR-UHFFFAOYSA-N 1 0 365.430 2.608 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)[C@H](C)C1 ZINC000191987346 509280514 /nfs/dbraw/zinc/28/05/14/509280514.db2.gz LYCWYXDUBRLMPV-HUUCEWRRSA-N 1 0 369.487 2.562 20 5 FFBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CC[NH+]3CCC2CC3)CC1 ZINC000188862135 509296412 /nfs/dbraw/zinc/29/64/12/509296412.db2.gz SXJOTODAATYSMP-UHFFFAOYSA-N 1 0 372.469 2.751 20 5 FFBDRO CCOc1cccc2cc([C@@H](C)[NH2+]C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)oc21 ZINC000182649491 509350519 /nfs/dbraw/zinc/35/05/19/509350519.db2.gz SFOFAGRMYDIBGD-IUODEOHRSA-N 1 0 374.397 2.648 20 5 FFBDRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)CCO1 ZINC000163199651 509350863 /nfs/dbraw/zinc/35/08/63/509350863.db2.gz HVRNCIYNJBOCGI-ACJLOTCBSA-N 1 0 370.409 2.527 20 5 FFBDRO COCCC[NH+]1CCC(Nc2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000267268704 509420708 /nfs/dbraw/zinc/42/07/08/509420708.db2.gz RRRYIJUAQURMKO-UHFFFAOYSA-N 1 0 373.251 2.665 20 5 FFBDRO Cc1cc(N2CCN(C[C@H](C)O)C[C@H]2C)c(Br)cc1[N+](=O)[O-] ZINC000248671969 509429030 /nfs/dbraw/zinc/42/90/30/509429030.db2.gz UOGUTAXXDHBFCB-NEPJUHHUSA-N 1 0 372.263 2.557 20 5 FFBDRO C[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1(c2ccccc2)CCCC1 ZINC000185949405 509442303 /nfs/dbraw/zinc/44/23/03/509442303.db2.gz WPJWQKCQZRDOFC-CRAIPNDOSA-N 1 0 358.442 2.642 20 5 FFBDRO CCCN(CCC[NH+](C)C)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000189274801 509495503 /nfs/dbraw/zinc/49/55/03/509495503.db2.gz HQCQUGVQMURCPZ-UHFFFAOYSA-N 1 0 359.430 2.584 20 5 FFBDRO CC(C)([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Cl)c(Cl)c1 ZINC000173279774 509499813 /nfs/dbraw/zinc/49/98/13/509499813.db2.gz JBELZKACJNNDFF-LBPRGKRZSA-N 1 0 373.240 2.984 20 5 FFBDRO C[C@@H]([NH2+]C[C@H](O)COc1ccc(F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000173394642 509571590 /nfs/dbraw/zinc/57/15/90/509571590.db2.gz RJLKAFTYHSLZNY-RISCZKNCSA-N 1 0 352.337 2.964 20 5 FFBDRO CCOc1cccc(NC[C@H](C)C[NH+]2CCN(CC)CC2)c1[N+](=O)[O-] ZINC000189444952 509578260 /nfs/dbraw/zinc/57/82/60/509578260.db2.gz UQLWVICYXNISEH-HNNXBMFYSA-N 1 0 350.463 2.679 20 5 FFBDRO O=[N+]([O-])c1ccc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c([N+](=O)[O-])c1 ZINC000249035607 509578426 /nfs/dbraw/zinc/57/84/26/509578426.db2.gz SNHQXWXIHBPPGF-GUYCJALGSA-N 1 0 360.414 2.952 20 5 FFBDRO COC(=O)C[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000165697632 509581915 /nfs/dbraw/zinc/58/19/15/509581915.db2.gz LZAXJACHHVYIEO-CQSZACIVSA-N 1 0 363.414 2.649 20 5 FFBDRO C[C@@H]([NH2+][C@H]1CC(=O)N(CCOc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000173443212 509602002 /nfs/dbraw/zinc/60/20/02/509602002.db2.gz PMVWGYCYEDJQHA-WBVHZDCISA-N 1 0 369.421 2.925 20 5 FFBDRO COc1ccc(COC[C@@H](O)C[N@H+](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000192707305 509606884 /nfs/dbraw/zinc/60/68/84/509606884.db2.gz IDYYKXUCNNRWBZ-KRWDZBQOSA-N 1 0 360.410 2.613 20 5 FFBDRO C[C@@H]1C[N@@H+](CCCCNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000176684731 509639511 /nfs/dbraw/zinc/63/95/11/509639511.db2.gz FWHNOCFGKZLXJD-BETUJISGSA-N 1 0 369.849 2.867 20 5 FFBDRO O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccc([N+](=O)[O-])[nH]1 ZINC000264695694 509652367 /nfs/dbraw/zinc/65/23/67/509652367.db2.gz IPWWNYASKVASNV-MQVJKMGUSA-N 1 0 354.410 2.848 20 5 FFBDRO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000237489135 509661027 /nfs/dbraw/zinc/66/10/27/509661027.db2.gz CANFVVRWLBRFFU-JQWIXIFHSA-N 1 0 374.363 2.754 20 5 FFBDRO COCCC[NH+]1CCC(NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000189620222 509667618 /nfs/dbraw/zinc/66/76/18/509667618.db2.gz QTNBXBATCQJPFZ-UHFFFAOYSA-N 1 0 363.458 2.949 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000249474349 509690945 /nfs/dbraw/zinc/69/09/45/509690945.db2.gz JEAYUQVOYFNGJR-GJZGRUSLSA-N 1 0 369.487 2.562 20 5 FFBDRO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000170684323 509719102 /nfs/dbraw/zinc/71/91/02/509719102.db2.gz GWEXHLOPWBHEIJ-INIZCTEOSA-N 1 0 358.442 2.870 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000268015668 509719181 /nfs/dbraw/zinc/71/91/81/509719181.db2.gz XMGMMJFPZNKYTL-INIZCTEOSA-N 1 0 352.460 2.770 20 5 FFBDRO COc1cc(CN2CCC[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000180057393 509729769 /nfs/dbraw/zinc/72/97/69/509729769.db2.gz FPUDTNNGXQAQKZ-CYBMUJFWSA-N 1 0 373.400 2.773 20 5 FFBDRO CCC[C@H](O)C[NH2+]Cc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000264843697 509735892 /nfs/dbraw/zinc/73/58/92/509735892.db2.gz JJBKIIMFGKVIHN-NSHDSACASA-N 1 0 366.336 2.795 20 5 FFBDRO COCCC(=O)N1CCC([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000193028540 509743333 /nfs/dbraw/zinc/74/33/33/509743333.db2.gz AYOGAMCWZAMAPE-SFHVURJKSA-N 1 0 361.442 2.589 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000180159399 509786476 /nfs/dbraw/zinc/78/64/76/509786476.db2.gz GSUYHCFTRNZADW-WMZOPIPTSA-N 1 0 355.394 2.779 20 5 FFBDRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000237980538 509790494 /nfs/dbraw/zinc/79/04/94/509790494.db2.gz ZCEBKAZDPAXEGE-RISCZKNCSA-N 1 0 370.247 2.534 20 5 FFBDRO C[N@@H+]1CC[C@@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000180175154 509795325 /nfs/dbraw/zinc/79/53/25/509795325.db2.gz KWFZLMWZPVVDJY-XLIONFOSSA-N 1 0 368.437 2.958 20 5 FFBDRO [NH3+][C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)c1ccccc1 ZINC000238023399 509801916 /nfs/dbraw/zinc/80/19/16/509801916.db2.gz JSWXDARMFLAJSD-KRWDZBQOSA-N 1 0 354.410 2.625 20 5 FFBDRO [NH3+][C@@H](CNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)C1CC1 ZINC000238041138 509806824 /nfs/dbraw/zinc/80/68/24/509806824.db2.gz ZYWMACLXCXCVDH-INIZCTEOSA-N 1 0 354.410 2.674 20 5 FFBDRO [NH3+]CCCCNC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000238058102 509811280 /nfs/dbraw/zinc/81/12/80/509811280.db2.gz OHUAJNMYEYQRFQ-UHFFFAOYSA-N 1 0 372.212 2.556 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H](c2ccc(F)cc2)C2CCCC2)c1 ZINC000180303485 509859638 /nfs/dbraw/zinc/85/96/38/509859638.db2.gz GBLGXCUSUBXBEB-QZTJIDSGSA-N 1 0 362.405 2.812 20 5 FFBDRO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)C1 ZINC000173951668 509871617 /nfs/dbraw/zinc/87/16/17/509871617.db2.gz DHVYTWRZQCLJJT-HNNXBMFYSA-N 1 0 369.487 2.564 20 5 FFBDRO C[NH+](C)CCCOC1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000177098331 509871744 /nfs/dbraw/zinc/87/17/44/509871744.db2.gz UFSAKKFUWJBDGI-UHFFFAOYSA-N 1 0 369.849 2.821 20 5 FFBDRO CC[NH+](CC)[C@H](CNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)c1ccccc1 ZINC000186763074 509891304 /nfs/dbraw/zinc/89/13/04/509891304.db2.gz UBQFQDXJRIOQIQ-MRXNPFEDSA-N 1 0 358.398 2.508 20 5 FFBDRO COC(=O)c1cnc(NCCC[N@H+](C)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000190164994 509980672 /nfs/dbraw/zinc/98/06/72/509980672.db2.gz PSUUCERIMJDSOM-UHFFFAOYSA-N 1 0 358.398 2.710 20 5 FFBDRO COC(=O)c1cnc(NCCCC[N@@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000190168076 509982405 /nfs/dbraw/zinc/98/24/05/509982405.db2.gz MVARUVADTVZCBT-ZDUSSCGKSA-N 1 0 350.419 2.700 20 5 FFBDRO CN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])CC1([NH+](C)C)CCC1 ZINC000186991958 509993328 /nfs/dbraw/zinc/99/33/28/509993328.db2.gz RZBYPKRKILYRSG-UHFFFAOYSA-N 1 0 354.838 2.603 20 5 FFBDRO C[NH2+][C@H](C)Cc1noc(CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 ZINC000261692310 510029467 /nfs/dbraw/zinc/02/94/67/510029467.db2.gz HOIWKUWCOKZENY-SECBINFHSA-N 1 0 373.335 2.802 20 5 FFBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CC[C@](C)(C[NH3+])C3)cc2[N+](=O)[O-])C1 ZINC000261767388 510056182 /nfs/dbraw/zinc/05/61/82/510056182.db2.gz FOIWPMUAJSWQSJ-QEEYODRMSA-N 1 0 374.485 2.888 20 5 FFBDRO Cn1c(Sc2ccc([N+](=O)[O-])cc2Cl)nnc1[C@@H]1CCC[NH2+]C1 ZINC000265468960 510071637 /nfs/dbraw/zinc/07/16/37/510071637.db2.gz OWJAIORDNLECDP-SECBINFHSA-N 1 0 353.835 2.995 20 5 FFBDRO Cc1cnc(C(C)(C)[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])s1 ZINC000183984179 510071847 /nfs/dbraw/zinc/07/18/47/510071847.db2.gz HJUFLDWDKPFODA-GFCCVEGCSA-N 1 0 351.428 2.624 20 5 FFBDRO O=[N+]([O-])c1ccc(CN2CCC(OC[C@H]3CCCO3)CC2)c([N+](=O)[O-])c1 ZINC000193817743 510084896 /nfs/dbraw/zinc/08/48/96/510084896.db2.gz CKMARCZJYPOCGG-MRXNPFEDSA-N 1 0 365.386 2.663 20 5 FFBDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000261873981 510097003 /nfs/dbraw/zinc/09/70/03/510097003.db2.gz SRMVJHRKNHJYPY-QLFBSQMISA-N 1 0 360.458 2.640 20 5 FFBDRO CC[N@@H+]1CCCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000265550996 510112044 /nfs/dbraw/zinc/11/20/44/510112044.db2.gz YLZPGSXBRQMGRP-GFCCVEGCSA-N 1 0 354.838 2.603 20 5 FFBDRO C[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(-n2cccn2)cc1 ZINC000180816970 510124883 /nfs/dbraw/zinc/12/48/83/510124883.db2.gz BUNHOXDZMMHPPH-ZDUSSCGKSA-N 1 0 365.393 2.730 20 5 FFBDRO O=C(Nc1ncc(C2CC[NH2+]CC2)s1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000262008374 510147793 /nfs/dbraw/zinc/14/77/93/510147793.db2.gz HBZBLXXLGGOSLQ-UHFFFAOYSA-N 1 0 350.375 2.910 20 5 FFBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000174523597 510158317 /nfs/dbraw/zinc/15/83/17/510158317.db2.gz XSIVNGODARBHHZ-LLVKDONJSA-N 1 0 370.247 2.771 20 5 FFBDRO Nc1cccc([N+](=O)[O-])c1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000180891532 510167931 /nfs/dbraw/zinc/16/79/31/510167931.db2.gz KMCCRDRXUAINBK-UHFFFAOYSA-N 1 0 354.410 2.703 20 5 FFBDRO CCO[C@@H]1C[C@]([NH3+])(C(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)C1(C)C ZINC000187283899 510171021 /nfs/dbraw/zinc/17/10/21/510171021.db2.gz PFBRCUQWVLSCED-PBHICJAKSA-N 1 0 369.849 2.739 20 5 FFBDRO C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Cl)c(Cl)c1 ZINC000174660791 510236108 /nfs/dbraw/zinc/23/61/08/510236108.db2.gz KSPZJQVQFZCHRX-CABZTGNLSA-N 1 0 359.213 2.810 20 5 FFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2[NH2+]CCc3ccccc32)c1 ZINC000262426970 510276945 /nfs/dbraw/zinc/27/69/45/510276945.db2.gz SLPYFRFMYSZHIF-INIZCTEOSA-N 1 0 357.435 2.934 20 5 FFBDRO CCCC[C@H](C[NH3+])NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000269190315 510282397 /nfs/dbraw/zinc/28/23/97/510282397.db2.gz KSOHIQFUWQKADS-SECBINFHSA-N 1 0 362.199 2.744 20 5 FFBDRO C[C@H](Nc1ccc(C(=O)N[C@@H](C[NH3+])C2CC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000262577037 510322202 /nfs/dbraw/zinc/32/22/02/510322202.db2.gz GKRYNVUSORPOSF-SJCJKPOMSA-N 1 0 369.425 2.630 20 5 FFBDRO Cc1ccsc1[C@@H](C)[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000178000373 510368454 /nfs/dbraw/zinc/36/84/54/510368454.db2.gz ROXZQWASXHQCJP-GFCCVEGCSA-N 1 0 369.468 2.594 20 5 FFBDRO COc1cc(CN2CC[N@@H+]3CCCC[C@H]3C2)c([N+](=O)[O-])cc1OC(F)F ZINC000246250236 510387950 /nfs/dbraw/zinc/38/79/50/510387950.db2.gz WQOIQSNQUGJUEW-ZDUSSCGKSA-N 1 0 371.384 2.875 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246270932 510399650 /nfs/dbraw/zinc/39/96/50/510399650.db2.gz AEJMGEZJPBMYLI-HNAYVOBHSA-N 1 0 372.469 2.790 20 5 FFBDRO COC[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(F)c(F)c1 ZINC000181428507 510404077 /nfs/dbraw/zinc/40/40/77/510404077.db2.gz XVAYRNJBWIZGSY-IAGOWNOFSA-N 1 0 352.337 2.884 20 5 FFBDRO CCN(CCCNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12)S(C)(=O)=O ZINC000181463975 510423646 /nfs/dbraw/zinc/42/36/46/510423646.db2.gz FUCWETZXIKCDAD-UHFFFAOYSA-N 1 0 366.443 2.535 20 5 FFBDRO C[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CCc2ccccc2C1 ZINC000246333682 510432113 /nfs/dbraw/zinc/43/21/13/510432113.db2.gz HBFABCLKBNOQIX-PKOBYXMFSA-N 1 0 356.422 2.824 20 5 FFBDRO CC[C@H]([NH2+]CC(=O)N1CCO[C@@H]2CCCC[C@@H]21)c1cccc([N+](=O)[O-])c1 ZINC000181527414 510455336 /nfs/dbraw/zinc/45/53/36/510455336.db2.gz RRADDDLTNNHAQP-OKZBNKHCSA-N 1 0 361.442 2.806 20 5 FFBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000266193940 510457119 /nfs/dbraw/zinc/45/71/19/510457119.db2.gz VCTNDBWWHXSINF-INIZCTEOSA-N 1 0 361.442 2.698 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@H](C)c1cccc(O)c1 ZINC000181533707 510460289 /nfs/dbraw/zinc/46/02/89/510460289.db2.gz SEMDTVAYVBLDRG-NEPJUHHUSA-N 1 0 359.382 2.987 20 5 FFBDRO CC[NH+](CC)[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)c1ccccc1 ZINC000178157776 510462421 /nfs/dbraw/zinc/46/24/21/510462421.db2.gz JNZIOACBHUIBGH-KRWDZBQOSA-N 1 0 356.426 2.990 20 5 FFBDRO C[C@@H](NC(=O)COc1ccccc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181540908 510463876 /nfs/dbraw/zinc/46/38/76/510463876.db2.gz OYXSVIOISWLUPG-CABCVRRESA-N 1 0 361.442 2.743 20 5 FFBDRO Nc1c(C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)cccc1[N+](=O)[O-] ZINC000178161159 510464225 /nfs/dbraw/zinc/46/42/25/510464225.db2.gz GNBHOFWQQKYAPC-MRXNPFEDSA-N 1 0 354.410 2.744 20 5 FFBDRO C[C@H](NC(=O)CN(C)c1ccccc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181547874 510466042 /nfs/dbraw/zinc/46/60/42/510466042.db2.gz IWEGGORCUWLMNP-HOTGVXAUSA-N 1 0 374.485 2.800 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](C)c1cccc(O)c1 ZINC000181582688 510484261 /nfs/dbraw/zinc/48/42/61/510484261.db2.gz ZOMPDSJUHAAJKI-GFCCVEGCSA-N 1 0 359.382 2.988 20 5 FFBDRO COCc1cc([N+](=O)[O-])ccc1N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000175156418 510509488 /nfs/dbraw/zinc/50/94/88/510509488.db2.gz TXDHQGAUZLJVBU-UHFFFAOYSA-N 1 0 363.458 2.822 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000181637585 510515402 /nfs/dbraw/zinc/51/54/02/510515402.db2.gz KMYNKVWDHHODII-KGLIPLIRSA-N 1 0 361.442 2.986 20 5 FFBDRO [NH3+][C@H]1CC[C@@H]2CN(C(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)C[C@@H]12 ZINC000185032581 510645240 /nfs/dbraw/zinc/64/52/40/510645240.db2.gz WJUIVRHRNYOMAC-BNOWGMLFSA-N 1 0 358.423 2.528 20 5 FFBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)NC(=O)NC(C)(C)C)cc1[N+](=O)[O-] ZINC000178686883 510721328 /nfs/dbraw/zinc/72/13/28/510721328.db2.gz BERPJQXBNJEGOP-VXGBXAGGSA-N 1 0 350.419 2.567 20 5 FFBDRO COc1cc(C(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000182095472 510755480 /nfs/dbraw/zinc/75/54/80/510755480.db2.gz MAHHAUSFRWTRMR-CQSZACIVSA-N 1 0 357.410 2.854 20 5 FFBDRO CCn1cc([N+](=O)[O-])c(C(=O)Nc2cc(C[NH+]3CCCC3)ccc2C)n1 ZINC000191678482 510783202 /nfs/dbraw/zinc/78/32/02/510783202.db2.gz JAIYFPKFQSFHIC-UHFFFAOYSA-N 1 0 357.414 2.968 20 5 FFBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CCC[N@H+](Cc2ccc(OC)cc2)CC1 ZINC000195342101 510794170 /nfs/dbraw/zinc/79/41/70/510794170.db2.gz LWMAZEPZQKCICE-UHFFFAOYSA-N 1 0 373.457 2.841 20 5 FFBDRO CCc1cc(NCC[N@@H+]2CCCOCC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000188496055 510797082 /nfs/dbraw/zinc/79/70/82/510797082.db2.gz IIZBTCRPGYTPDY-UHFFFAOYSA-N 1 0 371.441 2.748 20 5 FFBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)n1 ZINC000191717889 510799607 /nfs/dbraw/zinc/79/96/07/510799607.db2.gz UNUQODGUIFMRIX-LJQANCHMSA-N 1 0 371.441 2.596 20 5 FFBDRO O=C1[C@@H](N2CCC[N@@H+](C3CCCC3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000172584992 510805108 /nfs/dbraw/zinc/80/51/08/510805108.db2.gz ZJYVPODRMYJLIX-IBGZPJMESA-N 1 0 372.469 2.650 20 5 FFBDRO COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000270436582 510808287 /nfs/dbraw/zinc/80/82/87/510808287.db2.gz KDQQDESCLFSSPS-KBXCAEBGSA-N 1 0 374.397 2.856 20 5 FFBDRO CC(C)N1CC[NH+](C2CCN(c3ccc(F)cc3[N+](=O)[O-])CC2)CC1 ZINC000270488752 510886362 /nfs/dbraw/zinc/88/63/62/510886362.db2.gz QXUSAQGBYUMATR-UHFFFAOYSA-N 1 0 350.438 2.729 20 5 FFBDRO C[C@H]([NH2+][C@H]1CCN(Cc2ccc(F)cc2)C1=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285420770 510900227 /nfs/dbraw/zinc/90/02/27/510900227.db2.gz YDKCSIPVNHRNFL-SJCJKPOMSA-N 1 0 372.400 2.768 20 5 FFBDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccc(Br)cc3[N+](=O)[O-])C2)C1 ZINC000293966424 510913108 /nfs/dbraw/zinc/91/31/08/510913108.db2.gz UHHMQUNUXCZENM-OAHLLOKOSA-N 1 0 368.231 2.525 20 5 FFBDRO C[C@@H]1C[C@H](c2cccnc2)[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000364527093 510916788 /nfs/dbraw/zinc/91/67/88/510916788.db2.gz JTKUQFOLHOCPEZ-DKSSEZFCSA-N 1 0 357.410 2.813 20 5 FFBDRO COCCCC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccccc1 ZINC000270601613 510921154 /nfs/dbraw/zinc/92/11/54/510921154.db2.gz WNZRROGRUHIDEC-UHFFFAOYSA-N 1 0 359.426 2.685 20 5 FFBDRO CCOC1CC(C[N@@H+]2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)C1 ZINC000285545440 510950041 /nfs/dbraw/zinc/95/00/41/510950041.db2.gz IBECIDPNQQACLY-UHFFFAOYSA-N 1 0 373.457 2.798 20 5 FFBDRO [NH3+]CC[C@@H]1CCCCN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000286310378 511021710 /nfs/dbraw/zinc/02/17/10/511021710.db2.gz XXQPLDYHPSAHLZ-INIZCTEOSA-N 1 0 363.461 2.885 20 5 FFBDRO COCCc1ccc(OC[C@@H](O)C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000294397240 511051214 /nfs/dbraw/zinc/05/12/14/511051214.db2.gz CIDCMGWHYRFSQH-WBVHZDCISA-N 1 0 374.437 2.874 20 5 FFBDRO COc1cc(C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000294407977 511054520 /nfs/dbraw/zinc/05/45/20/511054520.db2.gz IVAGJEXVTRIIMH-ZDUSSCGKSA-N 1 0 367.421 2.984 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000297802769 511072838 /nfs/dbraw/zinc/07/28/38/511072838.db2.gz HYUZMUFZFQQSIT-JKSUJKDBSA-N 1 0 363.414 2.575 20 5 FFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](O)c1cnn(C)c1 ZINC000271073582 511076104 /nfs/dbraw/zinc/07/61/04/511076104.db2.gz FTWFWWVZGQDQNY-UKRRQHHQSA-N 1 0 350.444 2.522 20 5 FFBDRO COc1cc(N2CCC(OCC[NH+]3CCCC3)CC2)c(F)cc1[N+](=O)[O-] ZINC000271079474 511077106 /nfs/dbraw/zinc/07/71/06/511077106.db2.gz IFQQCZFIALDFRS-UHFFFAOYSA-N 1 0 367.421 2.824 20 5 FFBDRO Cc1nccn1CCCNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000294501989 511085706 /nfs/dbraw/zinc/08/57/06/511085706.db2.gz PEHRDGOUXWOKQC-UHFFFAOYSA-N 1 0 356.304 2.939 20 5 FFBDRO O=C(CCC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000294560722 511104174 /nfs/dbraw/zinc/10/41/74/511104174.db2.gz JJTZKCHATHHCLG-QGZVFWFLSA-N 1 0 359.426 2.645 20 5 FFBDRO C[NH+](C)C1(CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CCCCC1 ZINC000271239256 511134011 /nfs/dbraw/zinc/13/40/11/511134011.db2.gz HEYDRAQZAGUCAL-UHFFFAOYSA-N 1 0 361.489 2.736 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000294835776 511193895 /nfs/dbraw/zinc/19/38/95/511193895.db2.gz QKCSLWZIPRPGPB-LSDHHAIUSA-N 1 0 369.421 2.775 20 5 FFBDRO CC(C)C[C@H](CNC(=O)c1nn(C)cc1[N+](=O)[O-])[NH2+][C@@H](C)c1ccccc1 ZINC000271459260 511211604 /nfs/dbraw/zinc/21/16/04/511211604.db2.gz XANCWKMYIRFLKY-GOEBONIOSA-N 1 0 373.457 2.824 20 5 FFBDRO CC(=O)Nc1ccc(OC[C@H](O)C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000294949106 511231267 /nfs/dbraw/zinc/23/12/67/511231267.db2.gz AQTNFKVMIFZOPH-SCLBCKFNSA-N 1 0 373.409 2.644 20 5 FFBDRO COC(=O)[C@@H]1CCO[C@H]1C1CC[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000298275624 511232613 /nfs/dbraw/zinc/23/26/13/511232613.db2.gz ODHRDIQBSYDCSP-XCRHUMRWSA-N 1 0 362.426 2.946 20 5 FFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC1(CO)CCOCC1 ZINC000271542752 511240612 /nfs/dbraw/zinc/24/06/12/511240612.db2.gz TUBMCKZBSMIZEN-CQSZACIVSA-N 1 0 354.472 2.844 20 5 FFBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)c([N+](=O)[O-])c1 ZINC000298367233 511260181 /nfs/dbraw/zinc/26/01/81/511260181.db2.gz USQMUZNTOJEGRM-GOEBONIOSA-N 1 0 369.368 2.909 20 5 FFBDRO C[C@@H]1C[C@@H](NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000295140373 511296655 /nfs/dbraw/zinc/29/66/55/511296655.db2.gz OLZADTSOGNCDQA-MWLCHTKSSA-N 1 0 357.332 2.969 20 5 FFBDRO CO[C@@]1(C)CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000280239858 511387871 /nfs/dbraw/zinc/38/78/71/511387871.db2.gz AXUQDACYCXYTRJ-KRWDZBQOSA-N 1 0 353.394 2.954 20 5 FFBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000292058704 511448939 /nfs/dbraw/zinc/44/89/39/511448939.db2.gz BMTHXDYRJZGVAW-GJZGRUSLSA-N 1 0 360.458 2.728 20 5 FFBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1 ZINC000272205178 511464781 /nfs/dbraw/zinc/46/47/81/511464781.db2.gz ZDHMXJJIGPLGPU-IUODEOHRSA-N 1 0 353.369 2.629 20 5 FFBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000272213914 511466783 /nfs/dbraw/zinc/46/67/83/511466783.db2.gz SBUYWYZAJATLRG-ZDUSSCGKSA-N 1 0 358.442 2.807 20 5 FFBDRO C[C@@H](CCCC[NH3+])NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000292208218 511507129 /nfs/dbraw/zinc/50/71/29/511507129.db2.gz YSAQHTUXPRCAQF-QMMMGPOBSA-N 1 0 362.199 2.744 20 5 FFBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)cc1OC ZINC000299239287 511562935 /nfs/dbraw/zinc/56/29/35/511562935.db2.gz LJKSHNGHCUHTDP-ZDUSSCGKSA-N 1 0 367.446 2.708 20 5 FFBDRO O=C(NC1CC1)c1ccc(NC2CC[NH+](C3CCC3)CC2)c([N+](=O)[O-])c1 ZINC000296051029 511602884 /nfs/dbraw/zinc/60/28/84/511602884.db2.gz QLNVJWUJBATKCQ-UHFFFAOYSA-N 1 0 358.442 2.916 20 5 FFBDRO C[C@H]([NH2+]Cc1ccc(N2CCO[C@H](C)C2)nc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284309312 511677496 /nfs/dbraw/zinc/67/74/96/511677496.db2.gz ZEAWIVLCHLQEQF-KGLIPLIRSA-N 1 0 371.441 2.648 20 5 FFBDRO O=C(C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000296286339 511684859 /nfs/dbraw/zinc/68/48/59/511684859.db2.gz OZLQZZWCGURAOM-HFBAOOFYSA-N 1 0 365.817 2.734 20 5 FFBDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000365854103 511689309 /nfs/dbraw/zinc/68/93/09/511689309.db2.gz PWSIPULUJGREOR-ZDUSSCGKSA-N 1 0 353.850 2.933 20 5 FFBDRO COCCOC1(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CCOCC1 ZINC000296407342 511731509 /nfs/dbraw/zinc/73/15/09/511731509.db2.gz KSRWOYDBWXTLSY-OAHLLOKOSA-N 1 0 352.431 2.766 20 5 FFBDRO COC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000292874098 511753677 /nfs/dbraw/zinc/75/36/77/511753677.db2.gz WSWXIQQAZYPCHT-MSOLQXFVSA-N 1 0 362.426 2.693 20 5 FFBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@H]1CCCc2c1cnn2CCO)C1CC1 ZINC000363832450 511794344 /nfs/dbraw/zinc/79/43/44/511794344.db2.gz SDASAEZJXMNTAY-ROUUACIJSA-N 1 0 370.453 2.772 20 5 FFBDRO C[N@@H+]1CC[C@H]2OCCN(Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)[C@H]2C1 ZINC000284634920 511803624 /nfs/dbraw/zinc/80/36/24/511803624.db2.gz NNJKFACVQCNCDF-PKOBYXMFSA-N 1 0 357.410 2.760 20 5 FFBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[N@@H+](C(C)C)C2)cc1OC ZINC000274460487 511842652 /nfs/dbraw/zinc/84/26/52/511842652.db2.gz JVDXWNQSEYREGW-ZDUSSCGKSA-N 1 0 365.430 2.605 20 5 FFBDRO CC(C)(CO)[C@H]([NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CC1 ZINC000293106424 511842698 /nfs/dbraw/zinc/84/26/98/511842698.db2.gz QPTYZZWRVXYJDG-OAHLLOKOSA-N 1 0 355.822 2.573 20 5 FFBDRO Cc1cc(F)c(NC(=O)N(C)CCN2CCOC(C)(C)C2)cc1[N+](=O)[O-] ZINC000296668988 511844525 /nfs/dbraw/zinc/84/45/25/511844525.db2.gz HHSPXQYSYTYGOM-UHFFFAOYSA-N 1 0 368.409 2.617 20 5 FFBDRO C[C@@H]1CN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC[N@@H+](C2CC2)C1 ZINC000296698133 511858987 /nfs/dbraw/zinc/85/89/87/511858987.db2.gz KRSLTRSWLIUJOI-CYBMUJFWSA-N 1 0 357.414 2.561 20 5 FFBDRO CCOc1cc(NC[C@H](C(C)C)[NH+]2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000327299405 511872854 /nfs/dbraw/zinc/87/28/54/511872854.db2.gz KXSOLYMFEMMUBM-QGZVFWFLSA-N 1 0 350.463 2.677 20 5 FFBDRO COc1ccccc1CNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296831099 511915386 /nfs/dbraw/zinc/91/53/86/511915386.db2.gz WKCWDSSVQWGKOD-KBPBESRZSA-N 1 0 357.410 2.959 20 5 FFBDRO Cc1c(C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000296832005 511915669 /nfs/dbraw/zinc/91/56/69/511915669.db2.gz BHSSPNHECFWLIP-DLBZAZTESA-N 1 0 357.385 2.999 20 5 FFBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)Nc1cc([N+](=O)[O-])c(C)cc1F ZINC000296865309 511927686 /nfs/dbraw/zinc/92/76/86/511927686.db2.gz VMBQATYDFSOZKV-GFCCVEGCSA-N 1 0 356.398 2.521 20 5 FFBDRO COc1ccc(NC(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000296904777 511944631 /nfs/dbraw/zinc/94/46/31/511944631.db2.gz SGYYRQWJRKMPFV-CYBMUJFWSA-N 1 0 362.430 2.942 20 5 FFBDRO CS[C@H]1CN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C[C@H]1[NH+]1CCCC1 ZINC000274851680 511964756 /nfs/dbraw/zinc/96/47/56/511964756.db2.gz AZNGKFVXCFGANH-SJORKVTESA-N 1 0 374.466 2.728 20 5 FFBDRO CCOC(=O)c1csc(CC[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)n1 ZINC000285134677 512012432 /nfs/dbraw/zinc/01/24/32/512012432.db2.gz LOYLRFPDCYRHPV-SNVBAGLBSA-N 1 0 364.427 2.704 20 5 FFBDRO CS[C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H]1[NH+]1CCCC1 ZINC000275146475 512055552 /nfs/dbraw/zinc/05/55/52/512055552.db2.gz XVJASTLLWMEBHM-GDBMZVCRSA-N 1 0 362.455 2.748 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCCC[C@H]2c2nc3ccccc3o2)c1 ZINC000360037882 512065803 /nfs/dbraw/zinc/06/58/03/512065803.db2.gz SEHBFYYRSKOHCV-HOCLYGCPSA-N 1 0 371.397 2.521 20 5 FFBDRO COc1ccc(NC(=O)CC[N@@H+]2CCS[C@@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000411283157 512561877 /nfs/dbraw/zinc/56/18/77/512561877.db2.gz YNWNCYDEWCXVSO-RYUDHWBXSA-N 1 0 353.444 2.758 20 5 FFBDRO COc1ccc(C[NH2+][C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000373901899 512562733 /nfs/dbraw/zinc/56/27/33/512562733.db2.gz CRGBOJCVRWZOKP-CVEARBPZSA-N 1 0 361.442 2.874 20 5 FFBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000374056370 512642126 /nfs/dbraw/zinc/64/21/26/512642126.db2.gz FHCIWXDBAMHPFP-UHFFFAOYSA-N 1 0 360.458 2.609 20 5 FFBDRO CCOc1ccc(NC(=O)CC[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)cc1 ZINC000411474903 512652909 /nfs/dbraw/zinc/65/29/09/512652909.db2.gz CXWDSXOBWACFQR-UHFFFAOYSA-N 1 0 370.409 2.775 20 5 FFBDRO Cc1ccc([C@H](C)[NH2+]CCC(=O)Nc2ccc(C(N)=O)cc2)cc1[N+](=O)[O-] ZINC000411476805 512654242 /nfs/dbraw/zinc/65/42/42/512654242.db2.gz QMQFDNCNYJQHFT-ZDUSSCGKSA-N 1 0 370.409 2.682 20 5 FFBDRO O=C(CC[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1)Nc1cc(F)cc(F)c1 ZINC000411478465 512654718 /nfs/dbraw/zinc/65/47/18/512654718.db2.gz KHZPAAMTOTUQMF-UHFFFAOYSA-N 1 0 362.336 2.655 20 5 FFBDRO COc1ccc(OCCC[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000370059986 512746428 /nfs/dbraw/zinc/74/64/28/512746428.db2.gz MYCAEJAMYFJSPW-UHFFFAOYSA-N 1 0 360.414 2.906 20 5 FFBDRO C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000374301614 512754018 /nfs/dbraw/zinc/75/40/18/512754018.db2.gz KKVJQGDKDAHADR-RBUKOAKNSA-N 1 0 353.422 2.741 20 5 FFBDRO O=C(C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])N[C@@H]1CCOc2ccccc21 ZINC000374303298 512754930 /nfs/dbraw/zinc/75/49/30/512754930.db2.gz RRVZMYAHDMTKKY-QQOXCAACSA-N 1 0 367.405 2.838 20 5 FFBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)C(F)(F)c3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000378501189 512793895 /nfs/dbraw/zinc/79/38/95/512793895.db2.gz YUDQABAYLNGUKL-WFASDCNBSA-N 1 0 353.369 2.629 20 5 FFBDRO COc1cc(C[N@@H+]2CCC[C@@H](c3ccnn3C)C2)c([N+](=O)[O-])cc1OC ZINC000372433765 512872298 /nfs/dbraw/zinc/87/22/98/512872298.db2.gz PAZQJAHRXABYBQ-CYBMUJFWSA-N 1 0 360.414 2.725 20 5 FFBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N[C@@H]2CCC[NH2+]CC2)CC1 ZINC000372438430 512875035 /nfs/dbraw/zinc/87/50/35/512875035.db2.gz PRQUBNHQQOUCJJ-OAHLLOKOSA-N 1 0 360.458 2.703 20 5 FFBDRO O=C(NC1CC([NH+]2CCCCC2)C1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000376597079 512891177 /nfs/dbraw/zinc/89/11/77/512891177.db2.gz YPNILXAJJYZCDX-UHFFFAOYSA-N 1 0 372.469 2.942 20 5 FFBDRO CO[C@@](C)([C@@H](C)[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000411979054 512899757 /nfs/dbraw/zinc/89/97/57/512899757.db2.gz ZOHDNYSWLSHERZ-HWPZZCPQSA-N 1 0 355.822 2.980 20 5 FFBDRO CNc1c(C(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000390727045 512910607 /nfs/dbraw/zinc/91/06/07/512910607.db2.gz RZZYVGDPWNXXGR-CQSZACIVSA-N 1 0 356.426 2.887 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)c(Cl)c1 ZINC000392134113 512922432 /nfs/dbraw/zinc/92/24/32/512922432.db2.gz JCBMPNOBEUOVNN-UONOGXRCSA-N 1 0 373.862 2.543 20 5 FFBDRO CC(=O)Nc1c[nH]nc1[C@H]1CCC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000374787871 513003506 /nfs/dbraw/zinc/00/35/06/513003506.db2.gz KJWOVQCLIBMXEN-HNNXBMFYSA-N 1 0 357.414 2.964 20 5 FFBDRO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000370588033 513006561 /nfs/dbraw/zinc/00/65/61/513006561.db2.gz KCAXEJVISHCLRE-YJBOKZPZSA-N 1 0 352.394 2.746 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(CC(=O)NCC[C@@H](C)[NH+]2CCCCC2)c1F ZINC000412249653 513011457 /nfs/dbraw/zinc/01/14/57/513011457.db2.gz JUZJDTLCEXWYHE-CYBMUJFWSA-N 1 0 367.421 2.666 20 5 FFBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000368610447 513024296 /nfs/dbraw/zinc/02/42/96/513024296.db2.gz CHEVBCSSYJJOJF-ZBFHGGJFSA-N 1 0 354.410 2.881 20 5 FFBDRO CC[NH2+]Cc1cccc(NC(=O)[C@@H](CC)Nc2c([N+](=O)[O-])c(C)nn2C)c1 ZINC000428575569 513133148 /nfs/dbraw/zinc/13/31/48/513133148.db2.gz PSNNBLCCDGSXJI-OAHLLOKOSA-N 1 0 374.445 2.575 20 5 FFBDRO COCC[N@H+](C)CC[C@H](Nc1ncc([N+](=O)[O-])c(C)n1)c1ccccc1 ZINC000450314767 513138848 /nfs/dbraw/zinc/13/88/48/513138848.db2.gz NJQRYMUGZFLYHL-INIZCTEOSA-N 1 0 359.430 2.815 20 5 FFBDRO CC(C)c1n[nH]c(C(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000433826645 513160950 /nfs/dbraw/zinc/16/09/50/513160950.db2.gz QPWLFUSHZOBAOI-KBPBESRZSA-N 1 0 365.478 2.929 20 5 FFBDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000417711109 513176747 /nfs/dbraw/zinc/17/67/47/513176747.db2.gz DNYCHFHKJDRNEH-KRWDZBQOSA-N 1 0 350.463 2.932 20 5 FFBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000417759453 513197689 /nfs/dbraw/zinc/19/76/89/513197689.db2.gz DRRUQFKYSOIGOR-IRXDYDNUSA-N 1 0 360.458 2.701 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000439882939 513203991 /nfs/dbraw/zinc/20/39/91/513203991.db2.gz MFWVBPSPWYUJOL-ZDUSSCGKSA-N 1 0 350.419 2.989 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H]([NH+](CC)CC)C1 ZINC000439933986 513214398 /nfs/dbraw/zinc/21/43/98/513214398.db2.gz QWRSXRQGNCTEOB-AWEZNQCLSA-N 1 0 350.419 2.942 20 5 FFBDRO COc1ccc(-c2ccc(C[NH2+]C3CCN(OC)CC3)o2)c([N+](=O)[O-])c1 ZINC000421392867 513246491 /nfs/dbraw/zinc/24/64/91/513246491.db2.gz CTALUTOAJLUNML-UHFFFAOYSA-N 1 0 361.398 2.979 20 5 FFBDRO O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000415443368 513263362 /nfs/dbraw/zinc/26/33/62/513263362.db2.gz QYACIHITYWETNH-SNVBAGLBSA-N 1 0 368.262 2.732 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1ccnc(OCC[NH+](C)C)c1 ZINC000421502056 513287408 /nfs/dbraw/zinc/28/74/08/513287408.db2.gz XPPWGMOGVZTQGE-UHFFFAOYSA-N 1 0 358.398 2.799 20 5 FFBDRO CC(C)([NH2+]CCN1C(=O)c2ccccc2C1=O)c1ccccc1[N+](=O)[O-] ZINC000429253036 513317755 /nfs/dbraw/zinc/31/77/55/513317755.db2.gz JMWHNPDAWHXGPJ-UHFFFAOYSA-N 1 0 353.378 2.716 20 5 FFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000434422803 513319421 /nfs/dbraw/zinc/31/94/21/513319421.db2.gz BTXUNJJPXFDNRU-OAHLLOKOSA-N 1 0 351.834 2.924 20 5 FFBDRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000417997223 513324128 /nfs/dbraw/zinc/32/41/28/513324128.db2.gz TUJUYFBXLUGMGT-BXUZGUMPSA-N 1 0 354.838 2.607 20 5 FFBDRO CC(C)(C)c1ccc(NC(=O)C(=O)Nc2ccc(C[NH3+])cc2)cc1[N+](=O)[O-] ZINC000415616056 513347725 /nfs/dbraw/zinc/34/77/25/513347725.db2.gz SAXHHFARNBOOGH-UHFFFAOYSA-N 1 0 370.409 2.928 20 5 FFBDRO C[C@@H]1CN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC[N@H+](Cc2ccccc2)C1 ZINC000450807619 513350666 /nfs/dbraw/zinc/35/06/66/513350666.db2.gz GWTDJWWHHQHALL-HNNXBMFYSA-N 1 0 368.437 2.652 20 5 FFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425010088 513368251 /nfs/dbraw/zinc/36/82/51/513368251.db2.gz VEZUAOGTEFPIDP-QFBILLFUSA-N 1 0 366.421 2.645 20 5 FFBDRO C[C@H]([NH3+])C1CCN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000418090874 513368494 /nfs/dbraw/zinc/36/84/94/513368494.db2.gz ONHCHQAOOUQOQE-JTQLQIEISA-N 1 0 374.363 2.882 20 5 FFBDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3Br)[C@@H]2C1 ZINC000425060052 513395565 /nfs/dbraw/zinc/39/55/65/513395565.db2.gz UFBCDEQCQGOGPJ-IINYFYTJSA-N 1 0 368.231 2.524 20 5 FFBDRO CCN(CCC[NH+]1CCCC1)c1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000425252089 513474363 /nfs/dbraw/zinc/47/43/63/513474363.db2.gz GSAWHLZHRLNLHO-UHFFFAOYSA-N 1 0 360.458 2.799 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@H]2CCOC3(CCOCC3)C2)n1 ZINC000447585585 513515509 /nfs/dbraw/zinc/51/55/09/513515509.db2.gz KQSTYTMLXUPZLA-HRCADAONSA-N 1 0 364.446 2.593 20 5 FFBDRO C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447587457 513515666 /nfs/dbraw/zinc/51/56/66/513515666.db2.gz QKFJCBYUGWLNJE-MGPQQGTHSA-N 1 0 352.435 2.985 20 5 FFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC1(N2CCOCC2)CC1 ZINC000447591053 513517423 /nfs/dbraw/zinc/51/74/23/513517423.db2.gz BRFSFYHGPMAHCK-HNNXBMFYSA-N 1 0 365.499 2.920 20 5 FFBDRO Cc1cc(N2CCC([NH2+][C@H]3CCCC[C@@H]3n3ccc([N+](=O)[O-])n3)CC2)n[nH]1 ZINC000447598013 513519146 /nfs/dbraw/zinc/51/91/46/513519146.db2.gz GOOOZRYDHFFWNH-HOTGVXAUSA-N 1 0 373.461 2.565 20 5 FFBDRO COc1cc(NC(=O)C[NH2+]Cc2ccc([N+](=O)[O-])cc2C)cc(OC)c1 ZINC000425349134 513522900 /nfs/dbraw/zinc/52/29/00/513522900.db2.gz FWPVOSMWCHHUEV-UHFFFAOYSA-N 1 0 359.382 2.649 20 5 FFBDRO C[C@H]([NH2+]CC(=O)NCCOc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000451102826 513524293 /nfs/dbraw/zinc/52/42/93/513524293.db2.gz FBOHQUDXKOJMLJ-ZDUSSCGKSA-N 1 0 361.373 2.580 20 5 FFBDRO C[C@H]1CN(c2ccc([N+](=O)[O-])c3ncccc23)CC[N@@H+]1C1CCN(C)CC1 ZINC000413219061 513527388 /nfs/dbraw/zinc/52/73/88/513527388.db2.gz KSAYUFNKJSEDKH-HNNXBMFYSA-N 1 0 369.469 2.748 20 5 FFBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1)N(Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000435361567 513567173 /nfs/dbraw/zinc/56/71/73/513567173.db2.gz FYSDHFYXEXSDFO-KRWDZBQOSA-N 1 0 372.400 2.913 20 5 FFBDRO Cn1cc(CN2CCC([NH2+]CC3CC3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000435372848 513567438 /nfs/dbraw/zinc/56/74/38/513567438.db2.gz LDYBGDOIVISMNT-UHFFFAOYSA-N 1 0 369.469 2.959 20 5 FFBDRO O=[N+]([O-])c1ccc(CN2CCOCC2)cc1NCCC[NH+]1CCCCC1 ZINC000447803255 513575656 /nfs/dbraw/zinc/57/56/56/513575656.db2.gz RKFSZOMKDXVZBU-UHFFFAOYSA-N 1 0 362.474 2.715 20 5 FFBDRO CC[NH+](CC)C[C@@H](C)Nc1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000447807803 513576413 /nfs/dbraw/zinc/57/64/13/513576413.db2.gz UFXZYGJLLQQEGK-OAHLLOKOSA-N 1 0 350.463 2.569 20 5 FFBDRO CCOCCC[N@@H+]1CC[C@@H](NCc2ccc([N+](=O)[O-])cc2OC)[C@H](C)C1 ZINC000430201042 513586415 /nfs/dbraw/zinc/58/64/15/513586415.db2.gz BWBCISSAYLLLNN-CRAIPNDOSA-N 1 0 365.474 2.830 20 5 FFBDRO O=C(NC[C@H]1[NH2+]CCc2ccccc21)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000418640255 513586862 /nfs/dbraw/zinc/58/68/62/513586862.db2.gz QREKZARPCRTUQS-LJQANCHMSA-N 1 0 366.421 2.550 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC000430241015 513596931 /nfs/dbraw/zinc/59/69/31/513596931.db2.gz QBVOEUCDQYEKKC-AWEZNQCLSA-N 1 0 363.458 2.978 20 5 FFBDRO O=C(N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000418783970 513656608 /nfs/dbraw/zinc/65/66/08/513656608.db2.gz GAXSGUOCGLJFQK-CWRNSKLLSA-N 1 0 358.442 2.657 20 5 FFBDRO Cn1cnc([N+](=O)[O-])c1CN(Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435698810 513662627 /nfs/dbraw/zinc/66/26/27/513662627.db2.gz XWVLGQVAYFEQOV-OAHLLOKOSA-N 1 0 361.471 2.534 20 5 FFBDRO CCCN(CCC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000451301174 513663077 /nfs/dbraw/zinc/66/30/77/513663077.db2.gz NBSGXGHCQJCNMH-UHFFFAOYSA-N 1 0 359.430 2.584 20 5 FFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000451349114 513694111 /nfs/dbraw/zinc/69/41/11/513694111.db2.gz WOZOJSTWEUACDM-BNEJOLLZSA-N 1 0 361.442 2.937 20 5 FFBDRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000430626484 513705791 /nfs/dbraw/zinc/70/57/91/513705791.db2.gz LFGJQJXSWFNSON-QGZVFWFLSA-N 1 0 360.458 2.703 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000430712660 513730587 /nfs/dbraw/zinc/73/05/87/513730587.db2.gz HSDWMSYEQZYMTE-IAQYHMDHSA-N 1 0 369.849 2.910 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCC[C@@H]3[C@H]3CCC[C@@H]3O)n2)cc1 ZINC000451426685 513744320 /nfs/dbraw/zinc/74/43/20/513744320.db2.gz VWTLGOUEYAYGRX-OAGGEKHMSA-N 1 0 358.398 2.770 20 5 FFBDRO Cc1cc(S(=O)(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)c(C)cc1[N+](=O)[O-] ZINC000416405058 513753571 /nfs/dbraw/zinc/75/35/71/513753571.db2.gz AZYRDPYYICJJCY-HNNXBMFYSA-N 1 0 369.487 2.707 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)[C@@H](C)C1 ZINC000416406202 513754642 /nfs/dbraw/zinc/75/46/42/513754642.db2.gz FCGKTBUNWDOOMI-GJZGRUSLSA-N 1 0 369.487 2.562 20 5 FFBDRO CO[C@@H]1[C@@H](C)[C@@H]([NH2+]CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1(C)C ZINC000451509817 513798852 /nfs/dbraw/zinc/79/88/52/513798852.db2.gz ZLDBOHBMIMUWGZ-IUIKQTSFSA-N 1 0 363.414 2.542 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](C[C@@H](O)COCc3ccco3)C2)cc1 ZINC000451543138 513821575 /nfs/dbraw/zinc/82/15/75/513821575.db2.gz AZHMUNSRNNWGQS-SJLPKXTDSA-N 1 0 360.410 2.945 20 5 FFBDRO CN(CC[NH+]1CCCC1)C(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000436326308 513828250 /nfs/dbraw/zinc/82/82/50/513828250.db2.gz AOKGZOHUYJPWOH-UHFFFAOYSA-N 1 0 367.424 2.988 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C(C)C)[C@@H](CO)C(C)C ZINC000451590237 513852376 /nfs/dbraw/zinc/85/23/76/513852376.db2.gz BIUODGLVPAAKGB-YJBOKZPZSA-N 1 0 351.447 2.720 20 5 FFBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000448723772 513867519 /nfs/dbraw/zinc/86/75/19/513867519.db2.gz IVAJDXYFKRMOSJ-RYUDHWBXSA-N 1 0 357.332 2.970 20 5 FFBDRO C[NH+](C)CCOc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)c(F)c1 ZINC000413904553 513874201 /nfs/dbraw/zinc/87/42/01/513874201.db2.gz UGJUBEKIIQYBND-UHFFFAOYSA-N 1 0 361.373 2.856 20 5 FFBDRO [NH3+][C@H]1CCCN(C(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000422697771 513907233 /nfs/dbraw/zinc/90/72/33/513907233.db2.gz WDWXQZVXBQJXDP-NSHDSACASA-N 1 0 357.360 2.523 20 5 FFBDRO C[C@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000422749694 513921209 /nfs/dbraw/zinc/92/12/09/513921209.db2.gz AMXSEXFNAOWNHY-QWRGUYRKSA-N 1 0 357.863 2.845 20 5 FFBDRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000422857403 513954558 /nfs/dbraw/zinc/95/45/58/513954558.db2.gz HIZQZPFPGCARIM-ZYHUDNBSSA-N 1 0 357.863 2.974 20 5 FFBDRO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000451773017 513971170 /nfs/dbraw/zinc/97/11/70/513971170.db2.gz LMHYCKLJRDJDKF-YPMHNXCESA-N 1 0 369.805 2.508 20 5 FFBDRO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000448926555 513974580 /nfs/dbraw/zinc/97/45/80/513974580.db2.gz VASZAVZBULFIOV-AWEZNQCLSA-N 1 0 369.425 2.732 20 5 FFBDRO Cc1cc(OCC(=O)NCCCC[NH+]2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000431709189 513975550 /nfs/dbraw/zinc/97/55/50/513975550.db2.gz MXGVSGAZVHPSJG-UHFFFAOYSA-N 1 0 363.458 2.910 20 5 FFBDRO CC[NH+](CC)CC1CCN(C(=O)COc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000431713010 513976745 /nfs/dbraw/zinc/97/67/45/513976745.db2.gz BMWZXELWABDADV-UHFFFAOYSA-N 1 0 363.458 2.862 20 5 FFBDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448934252 513978423 /nfs/dbraw/zinc/97/84/23/513978423.db2.gz UPKHYVPYDRELBY-GASCZTMLSA-N 1 0 371.441 2.773 20 5 FFBDRO C[NH+](C)CCN(C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)C1CCCC1 ZINC000448977345 514002834 /nfs/dbraw/zinc/00/28/34/514002834.db2.gz YFLURWQOZPQIAD-UHFFFAOYSA-N 1 0 371.441 2.931 20 5 FFBDRO C[C@@H]1CN(CC(F)(F)F)CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000451866893 514031159 /nfs/dbraw/zinc/03/11/59/514031159.db2.gz BUIAQHVMRMDJPE-ZDUSSCGKSA-N 1 0 361.364 2.790 20 5 FFBDRO CN1CCC[C@@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])c2ccccc21 ZINC000451870587 514034623 /nfs/dbraw/zinc/03/46/23/514034623.db2.gz PPJYZCKVEXDTBM-DOTOQJQBSA-N 1 0 371.437 2.895 20 5 FFBDRO O=[N+]([O-])c1cc(CN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc(C(F)(F)F)c1 ZINC000423081966 514034660 /nfs/dbraw/zinc/03/46/60/514034660.db2.gz DQQURTNSCMWNBQ-ARFHVFGLSA-N 1 0 373.375 2.860 20 5 FFBDRO C[NH+](C)CCCC(C)(C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000451886228 514047948 /nfs/dbraw/zinc/04/79/48/514047948.db2.gz IINMXVHBZNRHDB-UHFFFAOYSA-N 1 0 363.867 2.647 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000426840874 514054850 /nfs/dbraw/zinc/05/48/50/514054850.db2.gz SDDAAWZKSVHQML-UHFFFAOYSA-N 1 0 359.382 2.796 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000426876604 514063984 /nfs/dbraw/zinc/06/39/84/514063984.db2.gz SWMGEVOKJAPTOE-UHFFFAOYSA-N 1 0 369.421 2.952 20 5 FFBDRO COc1cc(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])ccc1OCCO ZINC000449084354 514064956 /nfs/dbraw/zinc/06/49/56/514064956.db2.gz GVTMWGUWOVCFFM-AWEZNQCLSA-N 1 0 360.410 2.695 20 5 FFBDRO O=C(CN1CCC([C@H]2CCC[NH2+]2)CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000420333672 514098510 /nfs/dbraw/zinc/09/85/10/514098510.db2.gz IATXHQDEBLKSID-OAHLLOKOSA-N 1 0 366.849 2.651 20 5 FFBDRO C[NH+](C)CCCCNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444042161 514107155 /nfs/dbraw/zinc/10/71/55/514107155.db2.gz IGMTXPITZPFFJQ-UHFFFAOYSA-N 1 0 355.413 2.892 20 5 FFBDRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000437182561 514108454 /nfs/dbraw/zinc/10/84/54/514108454.db2.gz RVCQOECFUKPQIA-UHFFFAOYSA-N 1 0 350.341 2.659 20 5 FFBDRO COc1cc(CN[C@@H]2[C@H](C)CC[NH2+][C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000420371960 514113219 /nfs/dbraw/zinc/11/32/19/514113219.db2.gz PXAZAWQHFDXZJY-IQMDTDKHSA-N 1 0 359.373 2.681 20 5 FFBDRO COC(=O)[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C[C@@H]1c1ccccc1 ZINC000452007832 514131230 /nfs/dbraw/zinc/13/12/30/514131230.db2.gz RMIQNYZRBPAJDX-IAGOWNOFSA-N 1 0 370.405 2.992 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCN1CCc2ccccc2C1=O ZINC000449268680 514138479 /nfs/dbraw/zinc/13/84/79/514138479.db2.gz IMMQFUBOCXTAAP-OAHLLOKOSA-N 1 0 353.422 2.814 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCN(C(=O)Cc2ccccc2)C1 ZINC000449314109 514160751 /nfs/dbraw/zinc/16/07/51/514160751.db2.gz YXCSZEACPBDPBE-APWZRJJASA-N 1 0 367.449 2.959 20 5 FFBDRO COc1cc(C[NH2+]C[C@@H](CO)c2ccc(F)cc2)c([N+](=O)[O-])cc1OC ZINC000414527938 514163940 /nfs/dbraw/zinc/16/39/40/514163940.db2.gz NJUPHSFOSCTVCX-AWEZNQCLSA-N 1 0 364.373 2.617 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000449323394 514166835 /nfs/dbraw/zinc/16/68/35/514166835.db2.gz UVOKHSBOPSGAHE-RDJZCZTQSA-N 1 0 360.458 2.796 20 5 FFBDRO C[NH+](C)CCCOc1ccc(CNc2c(C(N)=O)cccc2[N+](=O)[O-])cc1 ZINC000420582442 514192315 /nfs/dbraw/zinc/19/23/15/514192315.db2.gz ITJTYWMWTNILNM-UHFFFAOYSA-N 1 0 372.425 2.636 20 5 FFBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCCCN1CCO ZINC000449394589 514192317 /nfs/dbraw/zinc/19/23/17/514192317.db2.gz NXYYHNYBBXEHBK-WDSOQIARSA-N 1 0 361.486 2.742 20 5 FFBDRO NC(=O)c1cccc([N+](=O)[O-])c1NCc1cccc(C[NH+]2CCCC2)c1 ZINC000420589507 514193621 /nfs/dbraw/zinc/19/36/21/514193621.db2.gz UBRXODCHWIPGBP-UHFFFAOYSA-N 1 0 354.410 2.902 20 5 FFBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000423694886 514204069 /nfs/dbraw/zinc/20/40/69/514204069.db2.gz LABAZDGCERKRIZ-PWSUYJOCSA-N 1 0 355.847 2.551 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000414651138 514222337 /nfs/dbraw/zinc/22/23/37/514222337.db2.gz FEPYCSKXPBBCSL-MRXNPFEDSA-N 1 0 356.382 2.612 20 5 FFBDRO Cn1cc(C[NH2+]CC2(CF)CCOCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000449487101 514226121 /nfs/dbraw/zinc/22/61/21/514226121.db2.gz WRNDFDZDRKHZDJ-UHFFFAOYSA-N 1 0 362.405 2.851 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+]C[C@H]2CCCC2(F)F)cc1[N+](=O)[O-] ZINC000449491036 514226228 /nfs/dbraw/zinc/22/62/28/514226228.db2.gz DWDRQUWRKQASRC-GFCCVEGCSA-N 1 0 358.341 2.672 20 5 FFBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000417221315 514242691 /nfs/dbraw/zinc/24/26/91/514242691.db2.gz CWFIFUIWNOTYFL-AEFFLSMTSA-N 1 0 360.458 2.701 20 5 FFBDRO CCOc1cc(NC(=O)N[C@@H]2C[NH2+]CC[C@H]2C)c([N+](=O)[O-])cc1OCC ZINC000414752844 514274191 /nfs/dbraw/zinc/27/41/91/514274191.db2.gz CUJRORSDYJNCLB-DGCLKSJQSA-N 1 0 366.418 2.512 20 5 FFBDRO C[N@@H+](Cc1cc(F)cc(F)c1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000444692090 514295683 /nfs/dbraw/zinc/29/56/83/514295683.db2.gz KZKQWQYEVQCJPL-HNNXBMFYSA-N 1 0 352.337 2.745 20 5 FFBDRO O=C(NCCC[C@@H]1CCC[NH2+]1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000449678645 514298569 /nfs/dbraw/zinc/29/85/69/514298569.db2.gz FYRGDZHHABQELC-ZDUSSCGKSA-N 1 0 360.439 2.980 20 5 FFBDRO O=C(NCCC[C@H]1CCC[NH2+]1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000449678644 514299042 /nfs/dbraw/zinc/29/90/42/514299042.db2.gz FYRGDZHHABQELC-CYBMUJFWSA-N 1 0 360.439 2.980 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000423958778 514307880 /nfs/dbraw/zinc/30/78/80/514307880.db2.gz MNFVDUAWOUTCOV-GXFFZTMASA-N 1 0 355.822 2.649 20 5 FFBDRO C[C@@H]1CCN(C(=O)c2cccc3c2[nH]c2c(F)cccc2c3=O)C[C@@H]1C[NH3+] ZINC000424001203 514331461 /nfs/dbraw/zinc/33/14/61/514331461.db2.gz OWJPOCWCRCWZEE-OLZOCXBDSA-N 1 0 367.424 2.877 20 5 FFBDRO Cn1ccnc1[C@@H](NCC[N@@H+]1CCCC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000449784684 514351077 /nfs/dbraw/zinc/35/10/77/514351077.db2.gz YFMKXFYOAUHOOW-KRWDZBQOSA-N 1 0 357.458 2.882 20 5 FFBDRO CC(C)(C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC000424039038 514352760 /nfs/dbraw/zinc/35/27/60/514352760.db2.gz MTJWXOWZAACJFR-FUHWJXTLSA-N 1 0 371.412 2.965 20 5 FFBDRO [NH3+]CCN(CCO)Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000414911385 514353917 /nfs/dbraw/zinc/35/39/17/514353917.db2.gz IKSVBMQCFBPCKD-UHFFFAOYSA-N 1 0 365.817 2.794 20 5 FFBDRO CCS(=O)(=O)N(C)CCC[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433172801 514405335 /nfs/dbraw/zinc/40/53/35/514405335.db2.gz IJTRCIBVUFCSRT-MRXNPFEDSA-N 1 0 369.487 2.578 20 5 FFBDRO C[C@H]1OCC[C@@]1(O)C[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000433174814 514405545 /nfs/dbraw/zinc/40/55/45/514405545.db2.gz MBEWFRKSIHKZEV-FOIQADDNSA-N 1 0 371.437 2.992 20 5 FFBDRO Cc1ccc(Sc2ccc(CN(C)C[C@H](O)C[NH3+])cc2[N+](=O)[O-])cc1 ZINC000415063597 514422852 /nfs/dbraw/zinc/42/28/52/514422852.db2.gz ANTCSCWKLPYNOT-OAHLLOKOSA-N 1 0 361.467 2.806 20 5 FFBDRO CN(C)C(=O)[C@@H]1CC[C@H](C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)O1 ZINC000433226823 514429011 /nfs/dbraw/zinc/42/90/11/514429011.db2.gz IFBIZNXZDCDRJG-XYPHTWIQSA-N 1 0 361.442 2.543 20 5 FFBDRO O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000449983031 514451956 /nfs/dbraw/zinc/45/19/56/514451956.db2.gz YIPYMBFYOOVSBS-QGZVFWFLSA-N 1 0 373.453 2.938 20 5 FFBDRO COc1cc(C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)c([N+](=O)[O-])cc1F ZINC000449982409 514452555 /nfs/dbraw/zinc/45/25/55/514452555.db2.gz SZQPWQXHAHIOHM-CYBMUJFWSA-N 1 0 365.405 2.737 20 5 FFBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000438876747 514456213 /nfs/dbraw/zinc/45/62/13/514456213.db2.gz NABSHLRDSWBNBH-INIZCTEOSA-N 1 0 352.394 2.605 20 5 FFBDRO C[C@H](O)CCC[NH+]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000475050653 514537887 /nfs/dbraw/zinc/53/78/87/514537887.db2.gz WUFFHXYHANHIDD-LBPRGKRZSA-N 1 0 361.364 2.897 20 5 FFBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2NC[C@H](c1ccco1)[NH+](C)C ZINC000450214569 514546525 /nfs/dbraw/zinc/54/65/25/514546525.db2.gz INGVUYVCVWKVQQ-OAHLLOKOSA-N 1 0 356.382 2.881 20 5 FFBDRO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NC[C@]1([NH+](C)C)CCSC1 ZINC000479492882 514604852 /nfs/dbraw/zinc/60/48/52/514604852.db2.gz WTYHUXNPFRMLAR-MRXNPFEDSA-N 1 0 371.434 2.760 20 5 FFBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccc(CC[NH+](C)C)cc1 ZINC000466441470 514649308 /nfs/dbraw/zinc/64/93/08/514649308.db2.gz OCTRLVGNJQGKCD-UHFFFAOYSA-N 1 0 356.426 2.671 20 5 FFBDRO COCC[C@H](CO)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000466471308 514655573 /nfs/dbraw/zinc/65/55/73/514655573.db2.gz BJLUVAMBROHVTR-LLVKDONJSA-N 1 0 354.790 2.995 20 5 FFBDRO CCC[NH+]1CCC(NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000466551290 514685157 /nfs/dbraw/zinc/68/51/57/514685157.db2.gz NZEUCJINXJGBHH-UHFFFAOYSA-N 1 0 354.838 2.922 20 5 FFBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000466557842 514689968 /nfs/dbraw/zinc/68/99/68/514689968.db2.gz YOPRYVOXVJZJPB-KSSFIOAISA-N 1 0 360.458 2.699 20 5 FFBDRO COc1ccc([C@@H](C)C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)cc1 ZINC000453575662 514695342 /nfs/dbraw/zinc/69/53/42/514695342.db2.gz LCCJMJCHXJGVMC-HNNXBMFYSA-N 1 0 356.426 2.924 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H]1CCCC[C@H]1n1cccn1 ZINC000484653708 514733370 /nfs/dbraw/zinc/73/33/70/514733370.db2.gz QUPWCFCCCXLBAX-HUUCEWRRSA-N 1 0 357.414 2.812 20 5 FFBDRO COc1cc(C[NH2+]C[C@H]2CC[C@@H](C)O2)c([N+](=O)[O-])cc1OCC(F)F ZINC000453633217 514742361 /nfs/dbraw/zinc/74/23/61/514742361.db2.gz RFYIIXNQFSGAFO-ZYHUDNBSSA-N 1 0 360.357 2.904 20 5 FFBDRO Cc1cc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)c(F)cc1[N+](=O)[O-] ZINC000461876890 514764147 /nfs/dbraw/zinc/76/41/47/514764147.db2.gz PNKWSEPAMKJWCS-AGUYFDCRSA-N 1 0 364.421 2.538 20 5 FFBDRO CC(C)[C@H]1CN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000489339296 514805729 /nfs/dbraw/zinc/80/57/29/514805729.db2.gz XRDDYWFDQOZATM-CYBMUJFWSA-N 1 0 357.357 2.608 20 5 FFBDRO CC[C@H]([NH2+]CCCN1C(=O)NC2(CCCC2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000480170706 514861967 /nfs/dbraw/zinc/86/19/67/514861967.db2.gz JEYWDKXSNZTTEQ-INIZCTEOSA-N 1 0 374.441 2.890 20 5 FFBDRO COc1cccc2c1CCN(CC(=O)Nc1c(C)cccc1[N+](=O)[O-])CC2 ZINC000489531676 514883206 /nfs/dbraw/zinc/88/32/06/514883206.db2.gz GXTUXNKWVMSYAW-UHFFFAOYSA-N 1 0 369.421 2.951 20 5 FFBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000462160486 514917497 /nfs/dbraw/zinc/91/74/97/514917497.db2.gz UPJYDKACXWLFAS-LIRRHRJNSA-N 1 0 371.412 2.913 20 5 FFBDRO Cn1cnc([N+](=O)[O-])c1CN1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000471845724 515030158 /nfs/dbraw/zinc/03/01/58/515030158.db2.gz LLXGUJIOMYQOIB-IAGOWNOFSA-N 1 0 357.458 2.500 20 5 FFBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000489946954 515043083 /nfs/dbraw/zinc/04/30/83/515043083.db2.gz RGJWHKVRAFUAGL-HDMKZQKVSA-N 1 0 360.458 2.509 20 5 FFBDRO C[C@H]1CCCN(c2ccc(C(=O)N3CC[C@@]4(CC[NH2+]C4)C3)cc2[N+](=O)[O-])C1 ZINC000462644286 515167692 /nfs/dbraw/zinc/16/76/92/515167692.db2.gz WXNIHFWEIUAMKP-MGPUTAFESA-N 1 0 372.469 2.657 20 5 FFBDRO CC[NH+](CC)CCO[C@H]1CCN(Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000472285513 515202890 /nfs/dbraw/zinc/20/28/90/515202890.db2.gz PJBPZGZAYMFSOK-KRWDZBQOSA-N 1 0 351.447 2.536 20 5 FFBDRO CCOC(=O)CC(C)(C)[N@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000490627925 515266492 /nfs/dbraw/zinc/26/64/92/515266492.db2.gz PELXXGDBCMMYMQ-UHFFFAOYSA-N 1 0 352.387 2.625 20 5 FFBDRO CNc1c(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)cccc1[N+](=O)[O-] ZINC000462985563 515321837 /nfs/dbraw/zinc/32/18/37/515321837.db2.gz IPTRKROLWVVESN-UHFFFAOYSA-N 1 0 372.425 2.507 20 5 FFBDRO CC[NH+](CC)CCN(CC(C)C)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000472586138 515324847 /nfs/dbraw/zinc/32/48/47/515324847.db2.gz NIECRSIYHSNTTF-UHFFFAOYSA-N 1 0 371.503 2.724 20 5 FFBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000477139080 515343984 /nfs/dbraw/zinc/34/39/84/515343984.db2.gz PSXRZXGIVMTYMI-UPJWGTAASA-N 1 0 373.500 2.682 20 5 FFBDRO C[N@H+](Cc1ccccc1)C1CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000504703836 515359149 /nfs/dbraw/zinc/35/91/49/515359149.db2.gz QNXJXVLCWHUQIE-UHFFFAOYSA-N 1 0 368.437 2.740 20 5 FFBDRO O=C(Cc1ccccc1)N1CCC[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000509948771 515379244 /nfs/dbraw/zinc/37/92/44/515379244.db2.gz LMVCUVWQDAZVOQ-INIZCTEOSA-N 1 0 359.451 2.980 20 5 FFBDRO CC1CC[NH+](CCNC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000486217547 515384301 /nfs/dbraw/zinc/38/43/01/515384301.db2.gz QCGKBFYEFADXNV-UHFFFAOYSA-N 1 0 368.865 2.822 20 5 FFBDRO O=C(Cc1ccccc1)N1CCC[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000509976703 515389394 /nfs/dbraw/zinc/38/93/94/515389394.db2.gz ILWSDYDDNGWBOB-GOSISDBHSA-N 1 0 353.422 2.918 20 5 FFBDRO Cc1csc(Sc2ccc(C(=O)N[C@@H](C)CC[NH3+])cc2[N+](=O)[O-])n1 ZINC000477281321 515395984 /nfs/dbraw/zinc/39/59/84/515395984.db2.gz WRAIEBTUTHEFSL-VIFPVBQESA-N 1 0 366.468 2.978 20 5 FFBDRO CC(C)(CNC(=O)CSc1ccc([N+](=O)[O-])cc1)C[NH+]1CCCC1 ZINC000481617556 515405181 /nfs/dbraw/zinc/40/51/81/515405181.db2.gz UOZGMPKCKGODCV-UHFFFAOYSA-N 1 0 351.472 2.925 20 5 FFBDRO CC[C@@H](C)[N@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)CC(=O)OC ZINC000499786698 515453857 /nfs/dbraw/zinc/45/38/57/515453857.db2.gz PIEBRYYKOIKSMQ-GFCCVEGCSA-N 1 0 351.403 2.505 20 5 FFBDRO CC[C@H](C)[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)CC(=O)OC ZINC000499787144 515455702 /nfs/dbraw/zinc/45/57/02/515455702.db2.gz SQNLWGHYWIYKCD-ZDUSSCGKSA-N 1 0 351.403 2.505 20 5 FFBDRO C[C@H]1CN(Cc2c(Cl)cccc2[N+](=O)[O-])CC[C@H]1[NH+]1CCN(C)CC1 ZINC000491978286 515487425 /nfs/dbraw/zinc/48/74/25/515487425.db2.gz JHLAQOUXOHNYKB-WMLDXEAASA-N 1 0 366.893 2.706 20 5 FFBDRO C[N@@H+](CCc1cccc(Br)c1)CCn1cc([N+](=O)[O-])cn1 ZINC000463418705 515488084 /nfs/dbraw/zinc/48/80/84/515488084.db2.gz ZNZPQSPJNYSFKD-UHFFFAOYSA-N 1 0 353.220 2.728 20 5 FFBDRO COc1cc(C(=O)N(C)CC[NH+](C(C)C)C(C)C)c([N+](=O)[O-])cc1OC ZINC000505353115 515513283 /nfs/dbraw/zinc/51/32/83/515513283.db2.gz NOCXYKOSEGEUFF-UHFFFAOYSA-N 1 0 367.446 2.803 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H]1CCO[C@H]1c1ccccc1 ZINC000493240679 515611578 /nfs/dbraw/zinc/61/15/78/515611578.db2.gz WNUJVIYOVAXQMJ-BEFAXECRSA-N 1 0 355.394 2.962 20 5 FFBDRO C[C@H](CNC(=O)CN(C)c1ccccc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000463843284 515637146 /nfs/dbraw/zinc/63/71/46/515637146.db2.gz CKMNNFOKMRMJFS-MRXNPFEDSA-N 1 0 370.453 2.668 20 5 FFBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000457088287 515640248 /nfs/dbraw/zinc/64/02/48/515640248.db2.gz RCKCVRZOMANCTR-MRXNPFEDSA-N 1 0 360.458 2.750 20 5 FFBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000457093690 515643515 /nfs/dbraw/zinc/64/35/15/515643515.db2.gz YVMIWAZFANXKFK-KRWDZBQOSA-N 1 0 374.485 2.752 20 5 FFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000486822973 515650827 /nfs/dbraw/zinc/65/08/27/515650827.db2.gz CSDZYPXCPVDEBT-UHFFFAOYSA-N 1 0 369.406 2.962 20 5 FFBDRO COc1cc(C[NH2+][C@@H]2CCC[C@]2(C)CO)c([N+](=O)[O-])cc1OCC(F)F ZINC000493738909 515660778 /nfs/dbraw/zinc/66/07/78/515660778.db2.gz WECMUJQAOSHEQN-NVXWUHKLSA-N 1 0 374.384 2.888 20 5 FFBDRO CC(C)(CNc1c(Br)cncc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000478036057 515675517 /nfs/dbraw/zinc/67/55/17/515675517.db2.gz QPXBDRFJCUTXEG-UHFFFAOYSA-N 1 0 357.252 2.708 20 5 FFBDRO C[C@@H]1C[NH+](C[C@@H]2CCCN2Cc2c(F)cccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000505798189 515675624 /nfs/dbraw/zinc/67/56/24/515675624.db2.gz ZDLGUHFMKKJSDC-KFWWJZLASA-N 1 0 351.422 2.808 20 5 FFBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000486962631 515701210 /nfs/dbraw/zinc/70/12/10/515701210.db2.gz GTHQIDKWQARGOS-CABCVRRESA-N 1 0 366.849 2.717 20 5 FFBDRO CN1C(=O)C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000482730897 515785649 /nfs/dbraw/zinc/78/56/49/515785649.db2.gz HGHRPUQMNSXPPU-WMZOPIPTSA-N 1 0 361.348 2.935 20 5 FFBDRO C[NH+](C)[C@H](C[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C1CCCCC1 ZINC000473912810 515798976 /nfs/dbraw/zinc/79/89/76/515798976.db2.gz RSCBYPHINLUSTQ-OAHLLOKOSA-N 1 0 373.450 2.523 20 5 FFBDRO C[C@H](c1cccc(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])c1)N1CCOCC1 ZINC000511153991 515809060 /nfs/dbraw/zinc/80/90/60/515809060.db2.gz OQKISONUDGKXCR-CYBMUJFWSA-N 1 0 371.393 2.946 20 5 FFBDRO CCc1ccc(C(=O)N[C@H]2C[N@H+](C)C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000478457097 515830194 /nfs/dbraw/zinc/83/01/94/515830194.db2.gz IQWXTQIZCYNAHW-ROUUACIJSA-N 1 0 353.422 2.985 20 5 FFBDRO CC(C)CN(C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)C1CC[NH+](C)CC1 ZINC000464581221 515881944 /nfs/dbraw/zinc/88/19/44/515881944.db2.gz NNKWXOGEAWOTOV-UHFFFAOYSA-N 1 0 369.412 2.994 20 5 FFBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2cc([N+](=O)[O-])n[nH]2)cc1 ZINC000506477130 515893762 /nfs/dbraw/zinc/89/37/62/515893762.db2.gz LZQULIUIHBDKSY-CYBMUJFWSA-N 1 0 357.414 2.622 20 5 FFBDRO CC(C)[NH+](CCCNS(=O)(=O)CCc1ccccc1[N+](=O)[O-])C(C)C ZINC000500947965 515914438 /nfs/dbraw/zinc/91/44/38/515914438.db2.gz VDRVOCHRPMDOQN-UHFFFAOYSA-N 1 0 371.503 2.566 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000494669778 515918833 /nfs/dbraw/zinc/91/88/33/515918833.db2.gz CSIPEUQGRYEFIX-AWEZNQCLSA-N 1 0 357.410 2.854 20 5 FFBDRO CO[C@@]1(C)C[C@H]([N@H+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1(C)C ZINC000464819721 515972424 /nfs/dbraw/zinc/97/24/24/515972424.db2.gz BXKBGIFLSRBZND-LPHOPBHVSA-N 1 0 361.442 2.619 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+][C@H](C)Cc2ccc(O)cc2)cc1[N+](=O)[O-] ZINC000474347172 516003278 /nfs/dbraw/zinc/00/32/78/516003278.db2.gz JVYDKGSRITZDDB-CYBMUJFWSA-N 1 0 374.393 2.573 20 5 FFBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000460110689 516025083 /nfs/dbraw/zinc/02/50/83/516025083.db2.gz QUBHSAYVXBEVNT-ZDUSSCGKSA-N 1 0 352.435 2.523 20 5 FFBDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000464974585 516031269 /nfs/dbraw/zinc/03/12/69/516031269.db2.gz RXFYQLUCBSIBDR-MRXNPFEDSA-N 1 0 356.426 2.527 20 5 FFBDRO Cc1nn(Cc2ccc(C(=O)N[C@@H](C)CCCC[NH3+])cc2)c(C)c1[N+](=O)[O-] ZINC000495121637 516072638 /nfs/dbraw/zinc/07/26/38/516072638.db2.gz WCFVKZUVTZGSQK-ZDUSSCGKSA-N 1 0 373.457 2.704 20 5 FFBDRO C[C@@H](CC[NH+](C)C)NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000495156590 516085530 /nfs/dbraw/zinc/08/55/30/516085530.db2.gz MYIJTMAEWWNRNP-JTQLQIEISA-N 1 0 362.352 2.753 20 5 FFBDRO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)c3ccc([N+](=O)[O-])n3C)cc2)C1 ZINC000465198537 516091309 /nfs/dbraw/zinc/09/13/09/516091309.db2.gz VDMMGFXCFIRARX-AWEZNQCLSA-N 1 0 372.425 2.906 20 5 FFBDRO C[C@@H]1C[NH+](CCCCNc2c3ccccc3ncc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000488112782 516121211 /nfs/dbraw/zinc/12/12/11/516121211.db2.gz IJXLEUAWJUFKJQ-HUUCEWRRSA-N 1 0 358.442 2.866 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[NH+]([C@@H](C)CC)CC1 ZINC000455359702 516148364 /nfs/dbraw/zinc/14/83/64/516148364.db2.gz ODHKGRKFOXBZCP-ZDUSSCGKSA-N 1 0 350.419 2.942 20 5 FFBDRO CC[NH+](CC)CC1CCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 ZINC000488359431 516205452 /nfs/dbraw/zinc/20/54/52/516205452.db2.gz LFTAHCWVQVQDMV-UHFFFAOYSA-N 1 0 374.485 2.538 20 5 FFBDRO Cc1ccc(S(=O)(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000507453793 516214509 /nfs/dbraw/zinc/21/45/09/516214509.db2.gz ZYXPZEFOPWSVAZ-GASCZTMLSA-N 1 0 369.487 2.550 20 5 FFBDRO COc1ccc(CNC(=O)NC(C)(C)CCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000457917860 516227586 /nfs/dbraw/zinc/22/75/86/516227586.db2.gz HBYQCMJZERCTFV-UHFFFAOYSA-N 1 0 352.435 2.523 20 5 FFBDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000465744992 516246175 /nfs/dbraw/zinc/24/61/75/516246175.db2.gz DJFOUJPOMQMDGX-OAHLLOKOSA-N 1 0 362.474 2.947 20 5 FFBDRO C[C@@]1(C(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCC[NH2+]C1 ZINC000496224131 516246312 /nfs/dbraw/zinc/24/63/12/516246312.db2.gz SECVFENRICOESX-OAHLLOKOSA-N 1 0 374.363 2.531 20 5 FFBDRO COC[C@@H](C[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1)OC ZINC000512385900 516258417 /nfs/dbraw/zinc/25/84/17/516258417.db2.gz BGIWXKRBHBFKIF-CQSZACIVSA-N 1 0 350.371 2.614 20 5 FFBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(c2ncc(Br)cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488727241 516295010 /nfs/dbraw/zinc/29/50/10/516295010.db2.gz WJRGMUKMWKPYDJ-LOWVWBTDSA-N 1 0 369.263 2.919 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)cc1C ZINC000497558470 516326391 /nfs/dbraw/zinc/32/63/91/516326391.db2.gz QKUJXNSXZFCGQP-LSDHHAIUSA-N 1 0 369.487 2.753 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC([N@H+](C)Cc3ccccc3)C2)c1 ZINC000557642353 516352749 /nfs/dbraw/zinc/35/27/49/516352749.db2.gz KEBWFLOPDSCGBN-UHFFFAOYSA-N 1 0 355.394 2.560 20 5 FFBDRO CC[NH+](CC)CC1CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000550698999 516387043 /nfs/dbraw/zinc/38/70/43/516387043.db2.gz DELONRGBKKCYIK-UHFFFAOYSA-N 1 0 362.474 2.901 20 5 FFBDRO O=C(NC1CC[NH+](C2CC2)CC1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000543795629 516434053 /nfs/dbraw/zinc/43/40/53/516434053.db2.gz AFAKHKWZBHLWMW-UHFFFAOYSA-N 1 0 355.341 2.553 20 5 FFBDRO CCC[NH+]1CCC(CNC(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000523335851 516441225 /nfs/dbraw/zinc/44/12/25/516441225.db2.gz ARTGERSLRVJFMS-UHFFFAOYSA-N 1 0 364.446 2.525 20 5 FFBDRO C[C@@H]1COc2ccccc2C[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000543875430 516474131 /nfs/dbraw/zinc/47/41/31/516474131.db2.gz BBBMCBVNSIKDQP-PBHICJAKSA-N 1 0 358.394 2.618 20 5 FFBDRO CC[NH+](CC)C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000523489880 516486149 /nfs/dbraw/zinc/48/61/49/516486149.db2.gz CNGTXGDJUBCAGA-JTQLQIEISA-N 1 0 358.236 2.817 20 5 FFBDRO C[NH+](C)[C@H](CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)C1CCCCC1 ZINC000518052915 516534774 /nfs/dbraw/zinc/53/47/74/516534774.db2.gz OGBBNAZXXIVQLI-MRXNPFEDSA-N 1 0 359.430 2.711 20 5 FFBDRO CCOc1cccc(N2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000523701986 516551520 /nfs/dbraw/zinc/55/15/20/516551520.db2.gz APFULWBHVGZFLS-UHFFFAOYSA-N 1 0 356.426 2.753 20 5 FFBDRO CN(C)c1ccccc1C[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000554746482 516617969 /nfs/dbraw/zinc/61/79/69/516617969.db2.gz ZGVVQFKEKSBYHW-INIZCTEOSA-N 1 0 359.426 2.533 20 5 FFBDRO C[NH2+]C[C@@H]1CCCN(C(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC000558156097 516620528 /nfs/dbraw/zinc/62/05/28/516620528.db2.gz YCAJDJIWVUAGNR-HOTGVXAUSA-N 1 0 374.485 2.903 20 5 FFBDRO C[C@@H](CCNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)[NH+]1CCCCC1 ZINC000544338410 516709826 /nfs/dbraw/zinc/70/98/26/516709826.db2.gz MZYOTMGQLLSQCO-HNNXBMFYSA-N 1 0 358.442 2.930 20 5 FFBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1)C1CC1 ZINC000531942461 516725964 /nfs/dbraw/zinc/72/59/64/516725964.db2.gz FDPIMXLVYZTGFF-IEBWSBKVSA-N 1 0 356.422 2.945 20 5 FFBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cccc(NS(C)(=O)=O)c1 ZINC000531959920 516733636 /nfs/dbraw/zinc/73/36/36/516733636.db2.gz RUWYOCNHPNPMRD-CYBMUJFWSA-N 1 0 363.439 2.860 20 5 FFBDRO CC(C)Oc1ccc(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])cn1 ZINC000518758069 516763066 /nfs/dbraw/zinc/76/30/66/516763066.db2.gz QMHOPVWAWCDYQK-UHFFFAOYSA-N 1 0 358.398 2.895 20 5 FFBDRO COc1ccc(C[NH2+]CCCN(C(=O)C2CCC2)C2CC2)cc1[N+](=O)[O-] ZINC000518794267 516778363 /nfs/dbraw/zinc/77/83/63/516778363.db2.gz XIDJWNMQSAYPQQ-UHFFFAOYSA-N 1 0 361.442 2.874 20 5 FFBDRO CN(C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000518899062 516812305 /nfs/dbraw/zinc/81/23/05/516812305.db2.gz PPCUVIQZESFXFZ-KRWDZBQOSA-N 1 0 372.469 2.506 20 5 FFBDRO C[C@H]1CCC[N@H+](CCNc2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)C1 ZINC000561880199 516812383 /nfs/dbraw/zinc/81/23/83/516812383.db2.gz BLHNBNIXQVVOEZ-AWEZNQCLSA-N 1 0 366.437 2.714 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)cc1SC ZINC000518899239 516813484 /nfs/dbraw/zinc/81/34/84/516813484.db2.gz RCCPVXAERCGWQQ-LBPRGKRZSA-N 1 0 365.455 2.634 20 5 FFBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000558596184 516828444 /nfs/dbraw/zinc/82/84/44/516828444.db2.gz JEGNBSLDVVCTBW-IAGOWNOFSA-N 1 0 368.437 2.527 20 5 FFBDRO Cc1cc(C)c(NC(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])c(C)n1 ZINC000518977611 516839684 /nfs/dbraw/zinc/83/96/84/516839684.db2.gz HOPRRYDJIIYSSO-UHFFFAOYSA-N 1 0 374.422 2.745 20 5 FFBDRO CC(C)[NH+]1CCN(c2cccc(NC(=O)c3cc([N+](=O)[O-])cn3C)c2)CC1 ZINC000536620351 516858266 /nfs/dbraw/zinc/85/82/66/516858266.db2.gz NZHIAOIYDWOKKZ-UHFFFAOYSA-N 1 0 371.441 2.716 20 5 FFBDRO COc1ccc(CC(=O)N2CC[NH+](C3CCCCC3)CC2)cc1[N+](=O)[O-] ZINC000532232310 516866088 /nfs/dbraw/zinc/86/60/88/516866088.db2.gz MNDRCXGHACQNIQ-UHFFFAOYSA-N 1 0 361.442 2.623 20 5 FFBDRO C[C@H](O)C[N@@H+]1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)[C@H](C)C1 ZINC000551821239 516890679 /nfs/dbraw/zinc/89/06/79/516890679.db2.gz JCEGMQHFOXBBRM-CABCVRRESA-N 1 0 359.426 2.742 20 5 FFBDRO CC(C)[N@@H+]1CCCN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CC1 ZINC000514217797 516908479 /nfs/dbraw/zinc/90/84/79/516908479.db2.gz HOKGUIORJGSMPT-UHFFFAOYSA-N 1 0 357.357 2.753 20 5 FFBDRO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000555415193 516917078 /nfs/dbraw/zinc/91/70/78/516917078.db2.gz JEUGQODXSNZHJS-SJWGOKEGSA-N 1 0 359.426 2.859 20 5 FFBDRO COc1ccc(NC(=O)[C@H](C)[N@H+](C)CCCOC(C)C)c([N+](=O)[O-])c1 ZINC000562125384 516927638 /nfs/dbraw/zinc/92/76/38/516927638.db2.gz XOBUAKZUNUNUIT-ZDUSSCGKSA-N 1 0 353.419 2.677 20 5 FFBDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532398383 516953771 /nfs/dbraw/zinc/95/37/71/516953771.db2.gz OMJSCJYGEXYFKH-GJZGRUSLSA-N 1 0 368.437 2.876 20 5 FFBDRO Cc1ccc(OCC[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000551974737 517000213 /nfs/dbraw/zinc/00/02/13/517000213.db2.gz AVCRSQORXJJYBH-QGZVFWFLSA-N 1 0 360.410 2.620 20 5 FFBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000541393669 517028735 /nfs/dbraw/zinc/02/87/35/517028735.db2.gz MBEDYKOVRURWSJ-LLVKDONJSA-N 1 0 355.847 2.693 20 5 FFBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)C2(S(C)(=O)=O)CC2)cc1[N+](=O)[O-] ZINC000552097192 517076176 /nfs/dbraw/zinc/07/61/76/517076176.db2.gz VXKXZXFJVBJUSY-VXGBXAGGSA-N 1 0 356.444 2.610 20 5 FFBDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000519626057 517086929 /nfs/dbraw/zinc/08/69/29/517086929.db2.gz KWTDMFDAQMQQFJ-LLVKDONJSA-N 1 0 372.263 2.745 20 5 FFBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000532699189 517102260 /nfs/dbraw/zinc/10/22/60/517102260.db2.gz GJQIJYJODBVSAT-OWCLPIDISA-N 1 0 360.458 2.871 20 5 FFBDRO O=[N+]([O-])c1cccc2ncnc(N3CC[C@@H](OCC[NH+]4CCCCC4)C3)c21 ZINC000541575775 517119241 /nfs/dbraw/zinc/11/92/41/517119241.db2.gz APLHYHLIMZXMRX-OAHLLOKOSA-N 1 0 371.441 2.619 20 5 FFBDRO CC[NH+]1CCC(CNc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CC1 ZINC000519731681 517150937 /nfs/dbraw/zinc/15/09/37/517150937.db2.gz VEHMRSRNJUDRHO-UHFFFAOYSA-N 1 0 360.458 2.975 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C/C=C\c2ccc(F)cc2)cc1 ZINC000541762917 517204438 /nfs/dbraw/zinc/20/44/38/517204438.db2.gz QJVCNZLDDCJBJU-UPHRSURJSA-N 1 0 364.398 2.811 20 5 FFBDRO C[C@@H](Nc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000515100489 517212447 /nfs/dbraw/zinc/21/24/47/517212447.db2.gz AMRNLKAMTVSAOH-CYBMUJFWSA-N 1 0 373.457 2.948 20 5 FFBDRO Cc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])cn2C)[NH+]2CCCC2)cc1 ZINC000519937043 517247347 /nfs/dbraw/zinc/24/73/47/517247347.db2.gz RIWHDXGXWNDSEZ-GOSISDBHSA-N 1 0 356.426 2.809 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000537673118 517289735 /nfs/dbraw/zinc/28/97/35/517289735.db2.gz BXQFNAFSSCFPFU-KRWDZBQOSA-N 1 0 351.472 2.687 20 5 FFBDRO C[C@@H]1CN(C(=O)Nc2ccncc2[N+](=O)[O-])[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000541924620 517295068 /nfs/dbraw/zinc/29/50/68/517295068.db2.gz HYRXRJHSJBMNJW-CABCVRRESA-N 1 0 369.425 2.538 20 5 FFBDRO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000526934453 517393855 /nfs/dbraw/zinc/39/38/55/517393855.db2.gz GCXULNMRBAOIHM-CQSZACIVSA-N 1 0 358.373 2.980 20 5 FFBDRO C[C@H](C(=O)NCCc1ccc(F)cc1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000549171756 517435812 /nfs/dbraw/zinc/43/58/12/517435812.db2.gz PDRGFCOALZUIEC-OAHLLOKOSA-N 1 0 373.428 2.956 20 5 FFBDRO CC(=O)NC1CCC([N@H+](C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000542246601 517460035 /nfs/dbraw/zinc/46/00/35/517460035.db2.gz BUHSWMFMJYNMBN-UHFFFAOYSA-N 1 0 373.413 2.524 20 5 FFBDRO C[C@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)[C@H](c1ccccc1)[NH+](C)C ZINC000546024241 517496633 /nfs/dbraw/zinc/49/66/33/517496633.db2.gz MWFNMQPKDAVYRI-KPZWWZAWSA-N 1 0 371.393 2.745 20 5 FFBDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2cccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000553059410 517502956 /nfs/dbraw/zinc/50/29/56/517502956.db2.gz JSMINWVOZANALW-LSDHHAIUSA-N 1 0 360.458 2.785 20 5 FFBDRO CN1CCN([C@@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)c2cccs2)CC1 ZINC000538283248 517540918 /nfs/dbraw/zinc/54/09/18/517540918.db2.gz RZXJGPMTAJCEII-AWEZNQCLSA-N 1 0 366.512 2.796 20 5 FFBDRO COc1ccc([C@@H](C)C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1 ZINC000538307402 517555812 /nfs/dbraw/zinc/55/58/12/517555812.db2.gz UFTXUHHRHKLGMU-HNNXBMFYSA-N 1 0 356.426 2.924 20 5 FFBDRO COC(=O)[C@H]1CCCC[C@]1(C)[NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000538375515 517593555 /nfs/dbraw/zinc/59/35/55/517593555.db2.gz KJWSNAIMNWWPFT-KDOFPFPSSA-N 1 0 363.414 2.553 20 5 FFBDRO Cc1c(Br)c(NCCC[NH+]2CCCCC2)ncc1[N+](=O)[O-] ZINC000542521254 517609838 /nfs/dbraw/zinc/60/98/38/517609838.db2.gz HGYGQMYOIGMKBL-UHFFFAOYSA-N 1 0 357.252 2.771 20 5 FFBDRO COCCNC(=O)[C@H](Cc1ccccc1)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000538551243 517667409 /nfs/dbraw/zinc/66/74/09/517667409.db2.gz MFZXMMLFTYZHOU-KXBFYZLASA-N 1 0 371.437 2.619 20 5 FFBDRO CNc1ccc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000534020779 517709914 /nfs/dbraw/zinc/70/99/14/517709914.db2.gz SSKZULORQKJTJW-SJLPKXTDSA-N 1 0 354.410 2.812 20 5 FFBDRO O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000542880372 517794812 /nfs/dbraw/zinc/79/48/12/517794812.db2.gz CFSAKURDWOCCSW-LBPRGKRZSA-N 1 0 355.341 2.507 20 5 FFBDRO CC(C)Oc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])cn2C)[NH+](C)C)cc1 ZINC000553671648 517842744 /nfs/dbraw/zinc/84/27/44/517842744.db2.gz UAQREAAPEWXUOA-GOSISDBHSA-N 1 0 374.441 2.753 20 5 FFBDRO COc1ccccc1N1CC[C@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1=O ZINC000516878060 517888948 /nfs/dbraw/zinc/88/89/48/517888948.db2.gz WEUIJRCWWROQCG-CVEARBPZSA-N 1 0 367.405 2.986 20 5 FFBDRO CS[C@@H]1CN(C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)C[C@@H]1[NH+](C)C ZINC000534827659 518048228 /nfs/dbraw/zinc/04/82/28/518048228.db2.gz GEEJJVZARFTBFM-TUKIKUTGSA-N 1 0 369.512 2.579 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCCC[C@@H]2CCc2ccccc2)c1 ZINC000534863439 518062863 /nfs/dbraw/zinc/06/28/63/518062863.db2.gz GBJGMYMBMSWLBS-IEBWSBKVSA-N 1 0 358.442 2.640 20 5 FFBDRO O=[N+]([O-])c1cccc2ncnc(N3CC[NH+](CCc4cccs4)CC3)c21 ZINC000543438929 518092375 /nfs/dbraw/zinc/09/23/75/518092375.db2.gz YOZSYLKNHHGXCX-UHFFFAOYSA-N 1 0 369.450 2.964 20 5 FFBDRO COc1ccc(OCC[N@@H+]2CC[C@H](C(C)(C)C)[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000543476705 518111489 /nfs/dbraw/zinc/11/14/89/518111489.db2.gz TZXHBOVOQKCFPL-HOCLYGCPSA-N 1 0 352.431 2.711 20 5 FFBDRO CCc1n[nH]c(C(=O)NCc2ccccc2C[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000522514141 518119650 /nfs/dbraw/zinc/11/96/50/518119650.db2.gz FNMWZRKIWINXCU-UHFFFAOYSA-N 1 0 371.441 2.796 20 5 FFBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000531151900 518156173 /nfs/dbraw/zinc/15/61/73/518156173.db2.gz OUHORCQSORYGAX-OAHLLOKOSA-N 1 0 361.442 2.744 20 5 FFBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000566863614 518237615 /nfs/dbraw/zinc/23/76/15/518237615.db2.gz DLMVDXJSMCCYEA-KRWDZBQOSA-N 1 0 369.421 2.612 20 5 FFBDRO CSc1ccc([C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2N)[NH+](C)C)cc1 ZINC000564094414 518305020 /nfs/dbraw/zinc/30/50/20/518305020.db2.gz NOFVEVUXTVEUEZ-MRXNPFEDSA-N 1 0 374.466 2.932 20 5 FFBDRO Cc1ccc(CNCc2ccncc2OCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000564120020 518313497 /nfs/dbraw/zinc/31/34/97/518313497.db2.gz GCEAISDHFIKBCC-UHFFFAOYSA-N 1 0 358.442 2.919 20 5 FFBDRO CCCN(CC[NH+]1CCCCC1)C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000572746472 518341496 /nfs/dbraw/zinc/34/14/96/518341496.db2.gz ADXCTULDPGLNAF-UHFFFAOYSA-N 1 0 363.414 2.662 20 5 FFBDRO COc1cc(CN2CC[N@H+](C)C(C)(C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000567177098 518391127 /nfs/dbraw/zinc/39/11/27/518391127.db2.gz ZIJZLIIYOUUNEK-UHFFFAOYSA-N 1 0 373.400 2.773 20 5 FFBDRO CCC[N@H+](CC)CCNC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000584676412 518424363 /nfs/dbraw/zinc/42/43/63/518424363.db2.gz GHDCHYIUKQXCEA-UHFFFAOYSA-N 1 0 361.446 2.650 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)SCC1CC[NH2+]CC1 ZINC000579117830 518530886 /nfs/dbraw/zinc/53/08/86/518530886.db2.gz UVPMQAFQFCTGHR-NSHDSACASA-N 1 0 353.444 2.663 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2nnc(N3CC[NH+](CC4CC4)CC3)n2C2CC2)cc1 ZINC000564734504 518588708 /nfs/dbraw/zinc/58/87/08/518588708.db2.gz JNAGZEZRNHLZFL-UHFFFAOYSA-N 1 0 368.441 2.720 20 5 FFBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000573284327 518592040 /nfs/dbraw/zinc/59/20/40/518592040.db2.gz VAEKBBMKLSLNFD-HNNXBMFYSA-N 1 0 355.385 2.652 20 5 FFBDRO C[N@@H+]1CC[C@@H]2OCCN(c3ccc([N+](=O)[O-])c(-c4ccc(F)cc4)n3)[C@@H]2C1 ZINC000585783611 518595678 /nfs/dbraw/zinc/59/56/78/518595678.db2.gz KQEBSEGZCLRTHT-SJORKVTESA-N 1 0 372.400 2.705 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@H](CO)C3CCOCC3)cs2)c1 ZINC000570425850 518602943 /nfs/dbraw/zinc/60/29/43/518602943.db2.gz FKPJJBNDPBTLPU-MRXNPFEDSA-N 1 0 363.439 2.595 20 5 FFBDRO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000564839214 518643389 /nfs/dbraw/zinc/64/33/89/518643389.db2.gz FMNWXCMZBQWUQZ-HNNXBMFYSA-N 1 0 368.231 2.573 20 5 FFBDRO COc1cc(C[N@H+](C)CCn2cc(Br)cn2)ccc1[N+](=O)[O-] ZINC000573402358 518646244 /nfs/dbraw/zinc/64/62/44/518646244.db2.gz FNOOKDDIOWXSPA-UHFFFAOYSA-N 1 0 369.219 2.694 20 5 FFBDRO Cc1c2ccccc2n(C)c1C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000567699726 518663193 /nfs/dbraw/zinc/66/31/93/518663193.db2.gz ZOLFYJCWKPWFGK-MRXNPFEDSA-N 1 0 369.421 2.924 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@H]2CCCC(F)(F)C2)cc1 ZINC000579464877 518693600 /nfs/dbraw/zinc/69/36/00/518693600.db2.gz YGYJPVCXGRDFMA-LBPRGKRZSA-N 1 0 362.398 2.784 20 5 FFBDRO Cc1c(NC(=O)N[C@@H](C)C[C@@H](C)[NH3+])cc(Br)cc1[N+](=O)[O-] ZINC000564972762 518723819 /nfs/dbraw/zinc/72/38/19/518723819.db2.gz YQPAIEGGBQWZQR-SFYZADRCSA-N 1 0 359.224 2.913 20 5 FFBDRO [NH3+]CCC[C@@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccccc1 ZINC000570675305 518725811 /nfs/dbraw/zinc/72/58/11/518725811.db2.gz FLGAHVGTVDCNJF-CQSZACIVSA-N 1 0 357.366 2.534 20 5 FFBDRO C[C@H]1C[C@@H](NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)CC[NH2+]1 ZINC000582485748 518777570 /nfs/dbraw/zinc/77/75/70/518777570.db2.gz GPICAODXZSHCNP-GWCFXTLKSA-N 1 0 371.387 2.830 20 5 FFBDRO O=C1C[C@H](C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CN1C1CC1 ZINC000565098592 518784834 /nfs/dbraw/zinc/78/48/34/518784834.db2.gz MCBIQXPFRWGYDT-RKVPGOIHSA-N 1 0 357.454 2.907 20 5 FFBDRO Cc1ccc2c(c1C)OC[C@H]2[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000573834268 518857274 /nfs/dbraw/zinc/85/72/74/518857274.db2.gz WEFMUUPWJPGSQG-MAUKXSAKSA-N 1 0 358.394 2.675 20 5 FFBDRO C[C@H](C(=O)N(CC[NH+](C)C)Cc1cccc(O)c1)c1cccc([N+](=O)[O-])c1 ZINC000582702908 518880340 /nfs/dbraw/zinc/88/03/40/518880340.db2.gz OFEQHURUFSKQDN-HNNXBMFYSA-N 1 0 371.437 2.994 20 5 FFBDRO CCC[C@@H]1C[NH2+]CCN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000573919516 518900350 /nfs/dbraw/zinc/90/03/50/518900350.db2.gz MAUCSLNSRZYVCH-MRXNPFEDSA-N 1 0 363.461 2.755 20 5 FFBDRO CC1CC[NH+](CCN[C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000573987834 518932471 /nfs/dbraw/zinc/93/24/71/518932471.db2.gz DRYJTDMCXCKQGX-SFHVURJKSA-N 1 0 357.458 2.739 20 5 FFBDRO C[NH+](C)C[C@@H]1CCCCN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000568472659 519053036 /nfs/dbraw/zinc/05/30/36/519053036.db2.gz QZVYNCBSLIZBGI-HNNXBMFYSA-N 1 0 357.414 2.541 20 5 FFBDRO CC(C)[NH2+]C1CCN(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000568577655 519107563 /nfs/dbraw/zinc/10/75/63/519107563.db2.gz DEENJCIZBAAFMR-UHFFFAOYSA-N 1 0 373.457 2.791 20 5 FFBDRO Cc1[nH+]ccc(N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)c1Cl ZINC000580319089 519116586 /nfs/dbraw/zinc/11/65/86/519116586.db2.gz VMMBFKAULFSRBQ-UHFFFAOYSA-N 1 0 360.801 2.914 20 5 FFBDRO C[C@@H]1C[C@@H](CC[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000571515837 519135225 /nfs/dbraw/zinc/13/52/25/519135225.db2.gz AQYVNPUBQIDHGD-QDMKHBRRSA-N 1 0 370.471 2.552 20 5 FFBDRO O=C(CCN1CCOc2ccc([N+](=O)[O-])cc2C1)Nc1ccccc1F ZINC000583351164 519199914 /nfs/dbraw/zinc/19/99/14/519199914.db2.gz MKWUHPDMMRGMAJ-UHFFFAOYSA-N 1 0 359.357 2.957 20 5 FFBDRO Cc1cc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)ccc1C[NH+](C)C ZINC000568838845 519237801 /nfs/dbraw/zinc/23/78/01/519237801.db2.gz ODSIJWLQFPIEOH-UHFFFAOYSA-N 1 0 357.366 2.946 20 5 FFBDRO C[NH+]1CCC2(CCN(c3ncc([N+](=O)[O-])cc3Br)C2)CC1 ZINC000590567553 519268408 /nfs/dbraw/zinc/26/84/08/519268408.db2.gz AKENNGHHQWCFIA-UHFFFAOYSA-N 1 0 355.236 2.674 20 5 FFBDRO COc1ccc([C@H](CNc2ccc(N)c([N+](=O)[O-])n2)[NH+]2CCCCC2)cc1 ZINC000590569933 519270734 /nfs/dbraw/zinc/27/07/34/519270734.db2.gz RLISONUJXKXMHQ-KRWDZBQOSA-N 1 0 371.441 2.642 20 5 FFBDRO CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CC[C@](C)(O)C2)cc1OC ZINC000571792806 519277967 /nfs/dbraw/zinc/27/79/67/519277967.db2.gz PIBGUAVLKWOFLM-ACJLOTCBSA-N 1 0 352.431 2.985 20 5 FFBDRO [NH3+]CCC1CCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000571815128 519288762 /nfs/dbraw/zinc/28/87/62/519288762.db2.gz YWCXYSCOSXBUFJ-UHFFFAOYSA-N 1 0 355.822 2.605 20 5 FFBDRO C[C@@H](C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1c(Cl)cccc1Cl ZINC000566109912 519305723 /nfs/dbraw/zinc/30/57/23/519305723.db2.gz FBCVHVINGXEDNV-JQWIXIFHSA-N 1 0 373.240 2.852 20 5 FFBDRO COC(=O)Cc1ccc(N[C@H]2C[N@H+](C)Cc3ccccc32)c([N+](=O)[O-])c1 ZINC000590695612 519321209 /nfs/dbraw/zinc/32/12/09/519321209.db2.gz ZIVRZATWJWBWNN-KRWDZBQOSA-N 1 0 355.394 2.909 20 5 FFBDRO COc1cncc(/C=C/CC[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000566162933 519342484 /nfs/dbraw/zinc/34/24/84/519342484.db2.gz NLXUOODRNQBEBR-DUXPYHPUSA-N 1 0 357.414 2.935 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@H]2CCCN(c3ccccc3)C2)c1 ZINC000578006542 519368190 /nfs/dbraw/zinc/36/81/90/519368190.db2.gz IYKOCWNGOKHQEV-LPHOPBHVSA-N 1 0 371.437 2.593 20 5 FFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000574946930 519416415 /nfs/dbraw/zinc/41/64/15/519416415.db2.gz GHACBOHOZRWEFN-CQSZACIVSA-N 1 0 364.446 2.780 20 5 FFBDRO Cc1ccc(C)c(S(=O)(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]2)c1[N+](=O)[O-] ZINC000575029924 519459801 /nfs/dbraw/zinc/45/98/01/519459801.db2.gz WNNMGHKZRNKXKP-HUUCEWRRSA-N 1 0 367.471 2.507 20 5 FFBDRO CNc1ccc([N+](=O)[O-])cc1NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000578205562 519473841 /nfs/dbraw/zinc/47/38/41/519473841.db2.gz TULYIIAKMXSQIG-CQSZACIVSA-N 1 0 364.471 2.793 20 5 FFBDRO O=[N+]([O-])c1ccc2nc(N3CCC[C@H]([NH+]4CCOCC4)CC3)ccc2c1 ZINC000578206622 519474245 /nfs/dbraw/zinc/47/42/45/519474245.db2.gz YXLJSMBODHDDMD-INIZCTEOSA-N 1 0 356.426 2.834 20 5 FFBDRO Cc1ccnc([C@@H]2CC[N@H+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])C2)c1 ZINC000566429319 519487753 /nfs/dbraw/zinc/48/77/53/519487753.db2.gz SNYLECDLDHUMCB-HZPDHXFCSA-N 1 0 357.410 2.527 20 5 FFBDRO COCC1(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000583990330 519536700 /nfs/dbraw/zinc/53/67/00/519536700.db2.gz UBLSTPVUBSPYAR-MRXNPFEDSA-N 1 0 352.431 2.521 20 5 FFBDRO C[C@@H](C(=O)NCc1ccc(OCC[NH+](C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000572341992 519565094 /nfs/dbraw/zinc/56/50/94/519565094.db2.gz LWYCVXCVKDDATN-OAHLLOKOSA-N 1 0 371.437 2.955 20 5 FFBDRO CCOc1cc(NC(=O)N2CCC(C)([NH3+])CC2)c([N+](=O)[O-])cc1OCC ZINC000591274109 519568080 /nfs/dbraw/zinc/56/80/80/519568080.db2.gz RGNAEVRDGUFNMD-UHFFFAOYSA-N 1 0 366.418 2.737 20 5 FFBDRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000566614948 519579248 /nfs/dbraw/zinc/57/92/48/519579248.db2.gz AQMKABJNJHMFHH-JOYOIKCWSA-N 1 0 356.220 2.699 20 5 FFBDRO Cc1c(NC(=O)NC[C@@H]2CCCC[NH2+]2)cc(Br)cc1[N+](=O)[O-] ZINC000591304222 519581231 /nfs/dbraw/zinc/58/12/31/519581231.db2.gz UGUBHKYPKSHXJF-NSHDSACASA-N 1 0 371.235 2.929 20 5 FFBDRO O=[N+]([O-])c1cncc(Br)c1N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000591444711 519626899 /nfs/dbraw/zinc/62/68/99/519626899.db2.gz IPVYXVDEUVLGON-QWRGUYRKSA-N 1 0 355.236 2.578 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC=C(c2cnn(C)c2)C1 ZINC000602886880 519951223 /nfs/dbraw/zinc/95/12/23/519951223.db2.gz JWIGCMAHYDSMGC-UHFFFAOYSA-N 1 0 369.425 2.755 20 5 FFBDRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3ccc(Nc4ccccc4)c([N+](=O)[O-])c3)C[C@H]21 ZINC000599988617 519987074 /nfs/dbraw/zinc/98/70/74/519987074.db2.gz KACLZTYCSQJUSG-MNZLEMJZSA-N 1 0 366.421 2.970 20 5 FFBDRO CC1([NH+]2CCCC2)CCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000602950117 519989131 /nfs/dbraw/zinc/98/91/31/519989131.db2.gz JAFCSAUAPSIWEU-GOSISDBHSA-N 1 0 372.469 2.650 20 5 FFBDRO C[C@H](C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)C(=O)OC(C)(C)C ZINC000594508359 520005780 /nfs/dbraw/zinc/00/57/80/520005780.db2.gz BKECCGUTZRFYEJ-RDBSUJKOSA-N 1 0 352.435 2.842 20 5 FFBDRO CCC[NH+]1CCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2CC2CC2)CC1 ZINC000597409084 520009993 /nfs/dbraw/zinc/00/99/93/520009993.db2.gz OUJJKKZUQFNPEB-UHFFFAOYSA-N 1 0 370.457 2.795 20 5 FFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCc2c(nnn2C)C1 ZINC000594519824 520011934 /nfs/dbraw/zinc/01/19/34/520011934.db2.gz GIWWIRXYWQVCCM-OLZOCXBDSA-N 1 0 361.471 2.741 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](O)[C@H]2CCCC[C@H]21 ZINC000602997441 520012841 /nfs/dbraw/zinc/01/28/41/520012841.db2.gz JXRUGUZBSPVZQT-JQHSSLGASA-N 1 0 361.442 2.857 20 5 FFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(F)c1N1CCOCC1 ZINC000594546561 520020053 /nfs/dbraw/zinc/02/00/53/520020053.db2.gz QXCBIEZVVQGJOM-ZIAGYGMSSA-N 1 0 364.421 2.609 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000591767657 520029712 /nfs/dbraw/zinc/02/97/12/520029712.db2.gz IJKISXOCWLYBQL-YQVWRLOYSA-N 1 0 372.421 2.844 20 5 FFBDRO C[NH+](C)[C@H]1C[C@@H](CNc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)C1 ZINC000594592860 520043326 /nfs/dbraw/zinc/04/33/26/520043326.db2.gz ZLPOMWGJGHAKAZ-IYBDPMFKSA-N 1 0 356.426 2.743 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1CCC[C@H]1[NH+](C)C ZINC000597533670 520086771 /nfs/dbraw/zinc/08/67/71/520086771.db2.gz RNXCLTHFYXQRLD-RAIGVLPGSA-N 1 0 355.822 2.614 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000597619537 520139892 /nfs/dbraw/zinc/13/98/92/520139892.db2.gz HKLCZRARLAGMLH-MRXNPFEDSA-N 1 0 361.442 2.539 20 5 FFBDRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccc(NC3CC3)c([N+](=O)[O-])c1)C2 ZINC000597715573 520194475 /nfs/dbraw/zinc/19/44/75/520194475.db2.gz MUYOMLQNLVCPIS-IBGZPJMESA-N 1 0 358.442 2.727 20 5 FFBDRO O=C([C@H]1CCc2nc[nH]c2C1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000597723649 520197904 /nfs/dbraw/zinc/19/79/04/520197904.db2.gz MDJIZNAOWZUZBK-GJZGRUSLSA-N 1 0 354.410 2.829 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)cc1SC ZINC000609135317 520201951 /nfs/dbraw/zinc/20/19/51/520201951.db2.gz DZNVOGQOIYJYQJ-LBPRGKRZSA-N 1 0 367.471 2.928 20 5 FFBDRO Cn1cc(C[NH2+]CCO[C@H]2CC2(F)F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000594970804 520234017 /nfs/dbraw/zinc/23/40/17/520234017.db2.gz NSOPEPQWRHBBFA-AWEZNQCLSA-N 1 0 352.341 2.509 20 5 FFBDRO CN(Cc1nc(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)no1)c1ccccc1[N+](=O)[O-] ZINC000612954716 520236465 /nfs/dbraw/zinc/23/64/65/520236465.db2.gz NZNWBBLEDKTUJT-AGUYFDCRSA-N 1 0 357.414 2.954 20 5 FFBDRO COc1cc(C[NH2+][C@@H]2COc3cc(F)ccc3C2)c([N+](=O)[O-])cc1OC ZINC000594976986 520238276 /nfs/dbraw/zinc/23/82/76/520238276.db2.gz IMPFANWMJIOLDL-AWEZNQCLSA-N 1 0 362.357 2.844 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+]C[C@H]2C(C)(C)C2(F)F)cc1[N+](=O)[O-] ZINC000594991177 520246043 /nfs/dbraw/zinc/24/60/43/520246043.db2.gz FQIKTISQBOGNIK-ZDUSSCGKSA-N 1 0 358.341 2.528 20 5 FFBDRO C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNCc2csc([N+](=O)[O-])c2)C1 ZINC000594994296 520248195 /nfs/dbraw/zinc/24/81/95/520248195.db2.gz JOWJMWOGSANMIJ-QGZVFWFLSA-N 1 0 360.483 2.562 20 5 FFBDRO COc1cc(N2CCC([N@@H+]3CCOC[C@H]3C)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000603399448 520248515 /nfs/dbraw/zinc/24/85/15/520248515.db2.gz ATQPTGNZQFKEDM-GFCCVEGCSA-N 1 0 369.849 2.946 20 5 FFBDRO CC(C)[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1(CO)CC=CC1 ZINC000592179428 520248700 /nfs/dbraw/zinc/24/87/00/520248700.db2.gz QJEMLUJEABMPFL-SFHVURJKSA-N 1 0 362.426 2.904 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H](C(C)C)N1CCOCC1 ZINC000595003732 520252934 /nfs/dbraw/zinc/25/29/34/520252934.db2.gz KZFCVEGJXHZPNE-PBHICJAKSA-N 1 0 351.447 2.611 20 5 FFBDRO O=C(C[N@@H+]1CCCC[C@@H]1C1CCC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000592197203 520256617 /nfs/dbraw/zinc/25/66/17/520256617.db2.gz CXISOZBJHVZZKZ-CQSZACIVSA-N 1 0 361.398 2.917 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CCCC[C@H]1N1CCOCC1 ZINC000595022687 520260922 /nfs/dbraw/zinc/26/09/22/520260922.db2.gz VBBOCMZCAMFIKB-JCGIZDLHSA-N 1 0 363.458 2.897 20 5 FFBDRO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)[C@]12CCCO2 ZINC000595033736 520263053 /nfs/dbraw/zinc/26/30/53/520263053.db2.gz SWKRHAAHPXHFLW-DUOKCRBOSA-N 1 0 350.415 2.981 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](CO)[C@H]1CCC[C@@H](OC)C1 ZINC000595061413 520273919 /nfs/dbraw/zinc/27/39/19/520273919.db2.gz KTWDIADVLYUMQW-YOKBYHGQSA-N 1 0 352.431 2.820 20 5 FFBDRO NC(=O)c1csc(C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])n1 ZINC000595080742 520284635 /nfs/dbraw/zinc/28/46/35/520284635.db2.gz AFTSHMURFKGQEA-AAEUAGOBSA-N 1 0 360.439 2.651 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N3CC[C@@H]4CC[NH2+][C@H]4C3)cc2[N+](=O)[O-])C1 ZINC000592248798 520289969 /nfs/dbraw/zinc/28/99/69/520289969.db2.gz UXFBUYYMMLAXSA-VYDXJSESSA-N 1 0 372.469 2.655 20 5 FFBDRO C[C@@H]([NH3+])[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)CCO1 ZINC000592312348 520327471 /nfs/dbraw/zinc/32/74/71/520327471.db2.gz RPCYQNLBSHSOLR-FZKQIMNGSA-N 1 0 371.393 2.575 20 5 FFBDRO CCN(C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CC[N@H+](C)C1 ZINC000597945624 520344541 /nfs/dbraw/zinc/34/45/41/520344541.db2.gz KDNGEUIOBCSDBU-LBPRGKRZSA-N 1 0 357.863 2.893 20 5 FFBDRO Cc1cc(C(=O)N2CCC[C@@H]2c2nc([C@@H]3CCC[NH2+]3)no2)ccc1[N+](=O)[O-] ZINC000592356656 520348369 /nfs/dbraw/zinc/34/83/69/520348369.db2.gz CJSNJENVGALMIW-DZGCQCFKSA-N 1 0 371.397 2.688 20 5 FFBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000595224352 520359677 /nfs/dbraw/zinc/35/96/77/520359677.db2.gz DIDCHVTZJAUSGG-RDJZCZTQSA-N 1 0 360.458 2.778 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000595229441 520362214 /nfs/dbraw/zinc/36/22/14/520362214.db2.gz ZABPXCOSNLSQIH-NVXWUHKLSA-N 1 0 370.409 2.871 20 5 FFBDRO COc1ccc(NC(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000595230910 520363705 /nfs/dbraw/zinc/36/37/05/520363705.db2.gz HKWLCQADVZSSGA-CQSZACIVSA-N 1 0 362.430 2.847 20 5 FFBDRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)c2ccccc2[N+](=O)[O-])cc1F ZINC000595255977 520374862 /nfs/dbraw/zinc/37/48/62/520374862.db2.gz HVTCFJIXIVEGHI-BBRMVZONSA-N 1 0 373.384 2.618 20 5 FFBDRO O=C(CCNc1ccccc1[N+](=O)[O-])Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000595256575 520375393 /nfs/dbraw/zinc/37/53/93/520375393.db2.gz CRCUDZLNKLOUQG-SFHVURJKSA-N 1 0 370.409 2.696 20 5 FFBDRO CCOc1cc(CN2CCC[N@H+](C[C@@H]3CCCO3)CC2)ccc1[N+](=O)[O-] ZINC000617194780 520376954 /nfs/dbraw/zinc/37/69/54/520376954.db2.gz OLQDVQUCSJMFBJ-KRWDZBQOSA-N 1 0 363.458 2.680 20 5 FFBDRO Cc1ccc(NC(=O)[C@@H](c2ccccc2)N(C)CCC[NH3+])c([N+](=O)[O-])c1 ZINC000592473845 520402552 /nfs/dbraw/zinc/40/25/52/520402552.db2.gz QUWOIYFGWTXRAL-GOSISDBHSA-N 1 0 356.426 2.864 20 5 FFBDRO C[C@@H]1CC[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CCS1 ZINC000617263864 520402593 /nfs/dbraw/zinc/40/25/93/520402593.db2.gz HIVSCRIIWJRPJU-GFCCVEGCSA-N 1 0 351.428 2.720 20 5 FFBDRO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000609758133 520422953 /nfs/dbraw/zinc/42/29/53/520422953.db2.gz LBPIPTADTRSQFF-CZUORRHYSA-N 1 0 358.442 2.868 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000592552681 520453040 /nfs/dbraw/zinc/45/30/40/520453040.db2.gz MVHBOVXIQIRJQP-JHJVBQTASA-N 1 0 369.849 2.897 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000592568701 520458707 /nfs/dbraw/zinc/45/87/07/520458707.db2.gz NMEGZAMGEMYQFJ-DGCLKSJQSA-N 1 0 367.833 2.806 20 5 FFBDRO CN(CC1C[NH+](C)C1)C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000598164014 520460896 /nfs/dbraw/zinc/46/08/96/520460896.db2.gz SHWBEWGLILWCIT-UHFFFAOYSA-N 1 0 354.410 2.972 20 5 FFBDRO C[NH2+]C1(CNC(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)CCC1 ZINC000600824805 520489005 /nfs/dbraw/zinc/48/90/05/520489005.db2.gz QBTGXSXYDAQDRD-CQSZACIVSA-N 1 0 360.458 2.703 20 5 FFBDRO CCOC(=O)c1ccnc(NCCC[N@H+](C)C2CCCCC2)c1[N+](=O)[O-] ZINC000609961226 520489569 /nfs/dbraw/zinc/48/95/69/520489569.db2.gz BXPOZECCTKVMAC-UHFFFAOYSA-N 1 0 364.446 2.655 20 5 FFBDRO CCOC(=O)c1ccnc(NCC[N@@H+]2CCCC[C@@H]2CC)c1[N+](=O)[O-] ZINC000609963711 520491574 /nfs/dbraw/zinc/49/15/74/520491574.db2.gz HVQZWASCAOEMCD-ZDUSSCGKSA-N 1 0 350.419 2.843 20 5 FFBDRO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000598218502 520501917 /nfs/dbraw/zinc/50/19/17/520501917.db2.gz GOHNYZQYOOFCLE-LBPRGKRZSA-N 1 0 367.396 2.939 20 5 FFBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CC[NH+](C2CCC2)CC1 ZINC000610105842 520541590 /nfs/dbraw/zinc/54/15/90/520541590.db2.gz ZBOKSOAUSCZULK-UHFFFAOYSA-N 1 0 360.458 2.797 20 5 FFBDRO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000604482585 520573836 /nfs/dbraw/zinc/57/38/36/520573836.db2.gz QXTDWKPCEZSMSX-UHFFFAOYSA-N 1 0 354.410 2.586 20 5 FFBDRO COc1cc(C(=O)N(CC[NH+](C)C)C2CCCC2)cc([N+](=O)[O-])c1OC ZINC000610198063 520577220 /nfs/dbraw/zinc/57/72/20/520577220.db2.gz OXBXWDVTMRAXOG-UHFFFAOYSA-N 1 0 365.430 2.558 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@H](CO)Cc1ccccc1 ZINC000595594560 520579361 /nfs/dbraw/zinc/57/93/61/520579361.db2.gz GBTBLZUNIOCJEB-SFHVURJKSA-N 1 0 371.437 2.767 20 5 FFBDRO CCCN(C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CC[N@H+](C)C1 ZINC000592828295 520604789 /nfs/dbraw/zinc/60/47/89/520604789.db2.gz FTKGOMYYCHYDCN-CQSZACIVSA-N 1 0 369.849 2.960 20 5 FFBDRO COc1cc(C[NH2+]Cc2cccc3c2CCOC3)c([N+](=O)[O-])cc1OC ZINC000601156063 520663097 /nfs/dbraw/zinc/66/30/97/520663097.db2.gz QPTHAPVHXKOXKM-UHFFFAOYSA-N 1 0 358.394 2.975 20 5 FFBDRO COc1ccccc1C[C@@](C)(CO)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000601153828 520663421 /nfs/dbraw/zinc/66/34/21/520663421.db2.gz UNXCLNQXPWUMSV-IBGZPJMESA-N 1 0 360.410 2.695 20 5 FFBDRO CC(C)(C)OC(=O)CCC1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000595719249 520670762 /nfs/dbraw/zinc/67/07/62/520670762.db2.gz YPVWAACVSBXIER-UHFFFAOYSA-N 1 0 352.435 2.625 20 5 FFBDRO Cc1cc(OCC(=O)NC[C@@H]2CC[N@@H+]2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000598512468 520672233 /nfs/dbraw/zinc/67/22/33/520672233.db2.gz TVJOVJSCBZEOLL-KRWDZBQOSA-N 1 0 369.421 2.673 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@H](CO)[C@H](C)c2ccccc2)c1 ZINC000593024421 520692220 /nfs/dbraw/zinc/69/22/20/520692220.db2.gz DOHYXWWECRHGPD-CXAGYDPISA-N 1 0 358.394 2.636 20 5 FFBDRO C[C@H](CCNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)[NH+](C)C ZINC000617747737 520700175 /nfs/dbraw/zinc/70/01/75/520700175.db2.gz GWQRJKYPIBQMEV-OAHLLOKOSA-N 1 0 351.450 2.611 20 5 FFBDRO COc1cc(C(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)c([N+](=O)[O-])cc1F ZINC000598562035 520708260 /nfs/dbraw/zinc/70/82/60/520708260.db2.gz RZOCLYSISHAXNM-ZDUSSCGKSA-N 1 0 365.405 2.594 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H](OC(C)C)C1 ZINC000593055572 520713067 /nfs/dbraw/zinc/71/30/67/520713067.db2.gz LYLMZCJLVFLWBY-OAHLLOKOSA-N 1 0 365.430 2.821 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+]1CCC([C@H]2CCCCO2)CC1 ZINC000595785770 520723600 /nfs/dbraw/zinc/72/36/00/520723600.db2.gz ZHLKHVVUHMABQS-FUHWJXTLSA-N 1 0 364.442 2.616 20 5 FFBDRO COC(=O)c1ccnc(NCc2ccc(C[NH+]3CCCC3)cc2)c1[N+](=O)[O-] ZINC000598588335 520727845 /nfs/dbraw/zinc/72/78/45/520727845.db2.gz JAASMSOUMCTQFR-UHFFFAOYSA-N 1 0 370.409 2.984 20 5 FFBDRO Cc1cc(S(=O)(=O)NCc2cccc(C[NH+](C)C)c2)c([N+](=O)[O-])s1 ZINC000601302044 520730062 /nfs/dbraw/zinc/73/00/62/520730062.db2.gz DFFGYHVVIDIRIX-UHFFFAOYSA-N 1 0 369.468 2.505 20 5 FFBDRO Cc1ccc(CN(CC[NH+](C)C)C(=O)Cc2ccc(F)cc2[N+](=O)[O-])o1 ZINC000593092062 520740584 /nfs/dbraw/zinc/74/05/84/520740584.db2.gz RYEARGSJPJXIEW-UHFFFAOYSA-N 1 0 363.389 2.768 20 5 FFBDRO COc1ccc(NC(=O)CC[N@@H+]2C[C@@H](C)OCC23CCC3)c([N+](=O)[O-])c1 ZINC000593093474 520740888 /nfs/dbraw/zinc/74/08/88/520740888.db2.gz UECGDFSAGFLOAY-CYBMUJFWSA-N 1 0 363.414 2.575 20 5 FFBDRO Cc1ccc(S(=O)(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)c(C)c1[N+](=O)[O-] ZINC000598608898 520741112 /nfs/dbraw/zinc/74/11/12/520741112.db2.gz UKZDAGCIDXLHPU-CQSZACIVSA-N 1 0 369.487 2.562 20 5 FFBDRO Cc1ccc(S(=O)(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c(C)c1[N+](=O)[O-] ZINC000598614135 520743613 /nfs/dbraw/zinc/74/36/13/520743613.db2.gz JJHPMTKDTRHMQR-CABCVRRESA-N 1 0 367.471 2.507 20 5 FFBDRO Cc1ccc(S(=O)(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)c(C)c1[N+](=O)[O-] ZINC000598613888 520743988 /nfs/dbraw/zinc/74/39/88/520743988.db2.gz ZIAWBVKWQWLJSW-OAHLLOKOSA-N 1 0 369.487 2.707 20 5 FFBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)C3(c4ccc([N+](=O)[O-])cc4)CCC3)CC[C@H]21 ZINC000601334222 520745124 /nfs/dbraw/zinc/74/51/24/520745124.db2.gz ZGEFKMFZJJSQQB-CRAIPNDOSA-N 1 0 357.454 2.959 20 5 FFBDRO COc1cc(C[N@@H+]2C[C@@H](C)[C@@](C)(CO)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000595875156 520782299 /nfs/dbraw/zinc/78/22/99/520782299.db2.gz PUUKXAOPVDVDSO-QLJPJBMISA-N 1 0 360.357 2.655 20 5 FFBDRO COc1cc(C[N@@H+]2C[C@H](C)[C@@](C)(CO)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000595875154 520782323 /nfs/dbraw/zinc/78/23/23/520782323.db2.gz PUUKXAOPVDVDSO-MGPLVRAMSA-N 1 0 360.357 2.655 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@@H]([NH3+])CCc2ccccc21 ZINC000595903988 520809537 /nfs/dbraw/zinc/80/95/37/520809537.db2.gz LIHXGSSADQVSFQ-HNNXBMFYSA-N 1 0 354.410 2.622 20 5 FFBDRO [NH3+]C[C@@H]1Cc2ccccc2N(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000601552064 520836735 /nfs/dbraw/zinc/83/67/35/520836735.db2.gz UFFABIRVLPHRPU-LBPRGKRZSA-N 1 0 359.813 2.955 20 5 FFBDRO CCOc1ccc(C(=O)N2C[C@H](C[NH3+])Cc3ccccc32)cc1[N+](=O)[O-] ZINC000601553575 520838865 /nfs/dbraw/zinc/83/88/65/520838865.db2.gz OQBDVRKLPAXRLK-ZDUSSCGKSA-N 1 0 355.394 2.771 20 5 FFBDRO COc1cc(CNC[C@@H]2CCC[N@H+](CC3CC3)C2)c([N+](=O)[O-])cc1OC ZINC000596058389 520885433 /nfs/dbraw/zinc/88/54/33/520885433.db2.gz GPVVDZBDDLLWGF-HNNXBMFYSA-N 1 0 363.458 2.824 20 5 FFBDRO CC(C)(C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)CC(F)(F)F ZINC000596069349 520892081 /nfs/dbraw/zinc/89/20/81/520892081.db2.gz DZEVFZMAQDLVGX-LBPRGKRZSA-N 1 0 350.337 2.903 20 5 FFBDRO CC(C)(C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])CC(F)(F)F ZINC000596069920 520893004 /nfs/dbraw/zinc/89/30/04/520893004.db2.gz KABLLTYLIUMKAP-NSHDSACASA-N 1 0 350.337 2.903 20 5 FFBDRO Cc1cccc2c1C[C@@H]([NH2+]Cc1cc3c(cc1[N+](=O)[O-])OCCO3)CO2 ZINC000598987205 520961003 /nfs/dbraw/zinc/96/10/03/520961003.db2.gz PQBFOIYIMGXACW-CQSZACIVSA-N 1 0 356.378 2.768 20 5 FFBDRO O=[N+]([O-])c1cc2c(cc1CNC[C@H]1CC[N@@H+]1C1CCCCC1)OCCO2 ZINC000598991748 520963519 /nfs/dbraw/zinc/96/35/19/520963519.db2.gz FMCMZUJPLLAUMA-MRXNPFEDSA-N 1 0 361.442 2.863 20 5 FFBDRO C[C@H]1CCC[C@@](CNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])([NH+](C)C)C1 ZINC000593416938 520979437 /nfs/dbraw/zinc/97/94/37/520979437.db2.gz FJUOYKZMERVYLP-SCLBCKFNSA-N 1 0 351.422 2.903 20 5 FFBDRO CN(c1ccccc1)c1ccc(C[NH2+]CCN2CC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000599018443 520981894 /nfs/dbraw/zinc/98/18/94/520981894.db2.gz IMHZKYYQCQZPBV-SFHVURJKSA-N 1 0 370.453 2.519 20 5 FFBDRO CC(C)C[NH2+]C1(CO)CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000596252914 520993850 /nfs/dbraw/zinc/99/38/50/520993850.db2.gz NRNHECDTGLSTLJ-UHFFFAOYSA-N 1 0 358.442 2.720 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CCCOCC3)CC2)c2ncccc12 ZINC000596269026 521003009 /nfs/dbraw/zinc/00/30/09/521003009.db2.gz RBRKURRJGGPHEO-UHFFFAOYSA-N 1 0 356.426 2.834 20 5 FFBDRO C[C@@H]1C[N@@H+](C[C@H]2CCCN2c2ncnc3ccc([N+](=O)[O-])cc32)C[C@H](C)O1 ZINC000614517847 521005815 /nfs/dbraw/zinc/00/58/15/521005815.db2.gz BWTBAAPNIBTWLK-IJEWVQPXSA-N 1 0 371.441 2.616 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@H]2CCCN2CC(F)F)n1 ZINC000599065346 521011280 /nfs/dbraw/zinc/01/12/80/521011280.db2.gz KIZITTDUJSPJRE-HZSPNIEDSA-N 1 0 357.405 2.594 20 5 FFBDRO Cn1ccnc1C(=O)c1ccc(NC[C@@H]2CC[N@@H+]2C(C)(C)C)c([N+](=O)[O-])c1 ZINC000596306591 521020125 /nfs/dbraw/zinc/02/01/25/521020125.db2.gz GZAOWZINLUMKFM-AWEZNQCLSA-N 1 0 371.441 2.844 20 5 FFBDRO C[NH+](C)Cc1cccc(N[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c1 ZINC000601930059 521032150 /nfs/dbraw/zinc/03/21/50/521032150.db2.gz DLVAYDDCBFOWPT-SFHVURJKSA-N 1 0 354.410 2.874 20 5 FFBDRO C[N@@H+](Cc1ccccc1)C[C@@H](O)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000611198206 521033771 /nfs/dbraw/zinc/03/37/71/521033771.db2.gz ZDDMLCAYTMUCNR-HXUWFJFHSA-N 1 0 366.421 2.951 20 5 FFBDRO CCC1([NH+]2CCOCC2)CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000599183491 521075341 /nfs/dbraw/zinc/07/53/41/521075341.db2.gz PSDWLOUXDILDKJ-UHFFFAOYSA-N 1 0 359.430 2.552 20 5 FFBDRO O=C(C[N@@H+]1CCC[C@@H](C[C@H]2CCOC2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000611350129 521113797 /nfs/dbraw/zinc/11/37/97/521113797.db2.gz BRTYKDKVHLWBCO-JKSUJKDBSA-N 1 0 373.453 2.623 20 5 FFBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000596567354 521135096 /nfs/dbraw/zinc/13/50/96/521135096.db2.gz TZUYNKFAQBUROI-OAHLLOKOSA-N 1 0 374.441 2.699 20 5 FFBDRO CCC[N@@H+]1CC[C@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000596694808 521227512 /nfs/dbraw/zinc/22/75/12/521227512.db2.gz OBSYEIGKXRYJMT-JTQLQIEISA-N 1 0 358.345 2.802 20 5 FFBDRO C[NH+](C)CCOc1cc(C(=O)N2CCCc3ccc([N+](=O)[O-])cc32)ccn1 ZINC000602265317 521246522 /nfs/dbraw/zinc/24/65/22/521246522.db2.gz SKPXCRNCAYBIKI-UHFFFAOYSA-N 1 0 370.409 2.523 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000596788463 521284660 /nfs/dbraw/zinc/28/46/60/521284660.db2.gz TXJCJAXPMHEXGS-HNNXBMFYSA-N 1 0 362.430 2.586 20 5 FFBDRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)C2)C1 ZINC000593913174 521287800 /nfs/dbraw/zinc/28/78/00/521287800.db2.gz RYJHIVJIFIXIJW-OZVIIMIRSA-N 1 0 367.833 2.607 20 5 FFBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)NCCC3(C[NH3+])CC3)cc2[N+](=O)[O-])C1 ZINC000593915042 521288272 /nfs/dbraw/zinc/28/82/72/521288272.db2.gz USHKUQIZHTYYCB-GASCZTMLSA-N 1 0 374.485 2.936 20 5 FFBDRO O=[N+]([O-])c1ccc2ncnc(N3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)c2c1 ZINC000611711662 521293559 /nfs/dbraw/zinc/29/35/59/521293559.db2.gz NMSYUIMKLUPZEA-SCLBCKFNSA-N 1 0 353.426 2.991 20 5 FFBDRO CN(C)C(=O)CCC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000594014454 521349245 /nfs/dbraw/zinc/34/92/45/521349245.db2.gz QVYVUCAYABJBGH-QAQDUYKDSA-N 1 0 363.458 2.569 20 5 FFBDRO COC(=O)[C@@](C)(NC[C@@H]1CCCC[N@@H+]1C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000599651139 521361905 /nfs/dbraw/zinc/36/19/05/521361905.db2.gz HGTMWXDGPBRPEN-HKUYNNGSSA-N 1 0 363.458 2.836 20 5 FFBDRO [NH3+]C[C@H]1CC[C@H](CNC(=O)c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000602492556 521377506 /nfs/dbraw/zinc/37/75/06/521377506.db2.gz MYIHUQDHNRLIMH-XYPYZODXSA-N 1 0 370.247 2.852 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCOc3ccccc3F)CC2)cn1 ZINC000602507395 521384785 /nfs/dbraw/zinc/38/47/85/521384785.db2.gz IHKZWABBNQHXLE-UHFFFAOYSA-N 1 0 360.389 2.766 20 5 FFBDRO O=C(N[C@H]1CC[NH2+]C12CCC2)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000602529546 521396169 /nfs/dbraw/zinc/39/61/69/521396169.db2.gz GFDNEOORCJJGFZ-ZDUSSCGKSA-N 1 0 373.331 2.550 20 5 FFBDRO COc1cccc2c1OC[C@@H]([NH2+]Cc1nc3cc([N+](=O)[O-])ccc3o1)C2 ZINC000602535759 521400580 /nfs/dbraw/zinc/40/05/80/521400580.db2.gz RXFVUTUBHNKQOB-LBPRGKRZSA-N 1 0 355.350 2.838 20 5 FFBDRO COc1ccc(NC(=O)CC[NH2+][C@H](C)c2cnccc2C)c([N+](=O)[O-])c1 ZINC000611938877 521401754 /nfs/dbraw/zinc/40/17/54/521401754.db2.gz AVULYUKONLXCQL-CYBMUJFWSA-N 1 0 358.398 2.986 20 5 FFBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2cnccc2C)c([N+](=O)[O-])c1 ZINC000611939528 521401911 /nfs/dbraw/zinc/40/19/11/521401911.db2.gz QNZUTKLTMXITTC-OLZOCXBDSA-N 1 0 358.398 2.985 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CCc4c3cccc4O)CC2)cn1 ZINC000602543990 521404150 /nfs/dbraw/zinc/40/41/50/521404150.db2.gz NUUMGHURNQUZSF-QGZVFWFLSA-N 1 0 354.410 2.941 20 5 FFBDRO Cc1nn(C)c(C)c1C[C@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602562536 521411921 /nfs/dbraw/zinc/41/19/21/521411921.db2.gz TYODQSBEHVTJJW-ZDUSSCGKSA-N 1 0 372.473 2.530 20 5 FFBDRO CCC(=O)N1CC[C@H]([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602566506 521413043 /nfs/dbraw/zinc/41/30/43/521413043.db2.gz DSRIHKPFWNSSSS-QMMMGPOBSA-N 1 0 362.249 2.519 20 5 FFBDRO CSc1cc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)ccn1 ZINC000602605467 521434459 /nfs/dbraw/zinc/43/44/59/521434459.db2.gz RLBDTVQPVLLVRS-UHFFFAOYSA-N 1 0 359.455 2.865 20 5 FFBDRO COc1ccc(F)cc1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602621573 521441305 /nfs/dbraw/zinc/44/13/05/521441305.db2.gz IGIHYHXCYKZWQN-UHFFFAOYSA-N 1 0 360.389 2.896 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CCc4cc(O)ccc4C3)CC2)cn1 ZINC000602631806 521445544 /nfs/dbraw/zinc/44/55/44/521445544.db2.gz HRYJBXVDFONTQC-QGZVFWFLSA-N 1 0 368.437 2.811 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3CCc4cc(O)ccc4C3)CC2)cn1 ZINC000602631805 521446331 /nfs/dbraw/zinc/44/63/31/521446331.db2.gz HRYJBXVDFONTQC-KRWDZBQOSA-N 1 0 368.437 2.811 20 5 FFBDRO CC(C)(C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000612029833 521446931 /nfs/dbraw/zinc/44/69/31/521446931.db2.gz DNCSPKABIHAWEL-UHFFFAOYSA-N 1 0 362.451 2.936 20 5 FFBDRO O=C(N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1cc([N+](=O)[O-])c[nH]1 ZINC000612037585 521449264 /nfs/dbraw/zinc/44/92/64/521449264.db2.gz HMOZFFKUWDQFSD-KBAYOESNSA-N 1 0 368.437 2.953 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@@H](CO)CC3CCCC3)CC2)cn1 ZINC000602647440 521454875 /nfs/dbraw/zinc/45/48/75/521454875.db2.gz JYCASIBDACEEDT-INIZCTEOSA-N 1 0 362.474 2.737 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H]1c1ccc(O)cc1 ZINC000612094698 521478105 /nfs/dbraw/zinc/47/81/05/521478105.db2.gz RDOLKPSJLCNFGU-IRXDYDNUSA-N 1 0 358.394 2.877 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H]1c1ccc(O)cc1 ZINC000612094700 521478246 /nfs/dbraw/zinc/47/82/46/521478246.db2.gz RDOLKPSJLCNFGU-SJORKVTESA-N 1 0 358.394 2.877 20 5 FFBDRO CC(C)[NH2+][C@H]1CCCN(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)C1 ZINC000597091663 521498459 /nfs/dbraw/zinc/49/84/59/521498459.db2.gz BPRKSBDXQPPXDE-NSHDSACASA-N 1 0 355.826 2.825 20 5 FFBDRO Nc1c(NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc(Cl)cc1[N+](=O)[O-] ZINC000597093941 521499134 /nfs/dbraw/zinc/49/91/34/521499134.db2.gz CYBVNAUCLLCZOB-PWSUYJOCSA-N 1 0 353.810 2.579 20 5 FFBDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)Nc3cc(Cl)cc([N+](=O)[O-])c3N)C2)C1 ZINC000597093868 521499241 /nfs/dbraw/zinc/49/92/41/521499241.db2.gz ZAGNQXADIPYIRD-MRXNPFEDSA-N 1 0 367.837 2.780 20 5 FFBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)C1 ZINC000597101684 521507907 /nfs/dbraw/zinc/50/79/07/521507907.db2.gz LELMTTKNJWMJDR-LLVKDONJSA-N 1 0 355.826 2.778 20 5 FFBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)C1 ZINC000597105136 521508939 /nfs/dbraw/zinc/50/89/39/521508939.db2.gz WTDGIMUMZWRAOK-LLVKDONJSA-N 1 0 369.853 2.930 20 5 FFBDRO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@H+](CC[C@@H]4CCCO4)CC3)nc2c1 ZINC000615796090 521534281 /nfs/dbraw/zinc/53/42/81/521534281.db2.gz PDAUBJJCZJYSBG-HNNXBMFYSA-N 1 0 359.430 2.552 20 5 FFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000615835651 521551380 /nfs/dbraw/zinc/55/13/80/521551380.db2.gz XVAUGACNKLJICN-NXNYUAIASA-N 1 0 358.486 2.710 20 5 FFBDRO Cc1ncc(CNC(=O)CC[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)s1 ZINC000602822432 521553427 /nfs/dbraw/zinc/55/34/27/521553427.db2.gz FGPRTTRNRLRLRM-UHFFFAOYSA-N 1 0 362.455 2.541 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H](C)CC[C@H]1O ZINC000602825123 521555099 /nfs/dbraw/zinc/55/50/99/521555099.db2.gz JPMFTPOWCIFNDX-XLNGHYISSA-N 1 0 350.463 2.751 20 5 FFBDRO CN(c1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000615942194 521583941 /nfs/dbraw/zinc/58/39/41/521583941.db2.gz FOPLJHPTFOYUKH-HNNXBMFYSA-N 1 0 352.866 2.853 20 5 FFBDRO Cc1cc(OCC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000619536559 521758094 /nfs/dbraw/zinc/75/80/94/521758094.db2.gz YDKQELZYVQDINL-INIZCTEOSA-N 1 0 361.442 2.759 20 5 FFBDRO O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000619871431 521913208 /nfs/dbraw/zinc/91/32/08/521913208.db2.gz HZPGWDWFHNEMCJ-CYBMUJFWSA-N 1 0 367.833 2.575 20 5 FFBDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccnc(NC)c2[N+](=O)[O-])C1 ZINC000517048164 562073360 /nfs/dbraw/zinc/07/33/60/562073360.db2.gz MAYIULCAXDVXHL-ZDUSSCGKSA-N 1 0 363.462 2.662 20 5 FFBDRO C[C@@H]([NH2+]CCCOc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824591580 608467275 /nfs/dbraw/zinc/46/72/75/608467275.db2.gz IXXQJWXBNUJVJO-CYBMUJFWSA-N 1 0 368.397 2.895 20 5 FFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)cc1 ZINC000826498113 608520849 /nfs/dbraw/zinc/52/08/49/608520849.db2.gz HVCXKNYPCSTCDJ-QGZVFWFLSA-N 1 0 350.382 2.942 20 5 FFBDRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(C)cc(C)c1[N+](=O)[O-])C2 ZINC001164807459 720126361 /nfs/dbraw/zinc/12/63/61/720126361.db2.gz CLLNUJRNILCXSS-YLJYHZDGSA-N 1 0 374.485 2.791 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164727972 720334291 /nfs/dbraw/zinc/33/42/91/720334291.db2.gz VBYBQTGYGFJGHJ-HUUCEWRRSA-N 1 0 359.817 2.891 20 5 FFBDRO Cc1ccnc(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@@H]2C)c1[N+](=O)[O-] ZINC001164857018 720938277 /nfs/dbraw/zinc/93/82/77/720938277.db2.gz FIIALJJMAFYYRG-AWEZNQCLSA-N 1 0 358.446 2.916 20 5 FFBDRO Cc1ccnc(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]2C)c1[N+](=O)[O-] ZINC001164857019 720939413 /nfs/dbraw/zinc/93/94/13/720939413.db2.gz FIIALJJMAFYYRG-CQSZACIVSA-N 1 0 358.446 2.916 20 5 FFBDRO COc1cnc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)c([N+](=O)[O-])c1 ZINC001164862607 720954817 /nfs/dbraw/zinc/95/48/17/720954817.db2.gz WQYINMMQNQDMNK-ZDUSSCGKSA-N 1 0 374.445 2.616 20 5 FFBDRO CSc1nc(Cl)nc(N2CC3(C2)CC[N@H+](CC2CC2)C3)c1[N+](=O)[O-] ZINC001164773717 721290297 /nfs/dbraw/zinc/29/02/97/721290297.db2.gz TWYHQEDGHZUURL-UHFFFAOYSA-N 1 0 369.878 2.682 20 5 FFBDRO Nc1nc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)ccc1[N+](=O)[O-] ZINC001164996750 722202690 /nfs/dbraw/zinc/20/26/90/722202690.db2.gz WIYKKBDUHNENMZ-LJQANCHMSA-N 1 0 371.416 2.956 20 5 FFBDRO COC(=O)CC[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C[C@H]1CCCO1 ZINC000153941848 728791921 /nfs/dbraw/zinc/79/19/21/728791921.db2.gz LFHPQTPBEBOXKM-CYBMUJFWSA-N 1 0 356.806 2.792 20 5 FFBDRO O=C(NC1CC[NH+](C2CCOCC2)CC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000898628872 735390700 /nfs/dbraw/zinc/39/07/00/735390700.db2.gz YGLFLWQJXYFLQX-UHFFFAOYSA-N 1 0 367.833 2.621 20 5 FFBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H]2COc2ccc(Cl)cc2)c1 ZINC000746656306 735501800 /nfs/dbraw/zinc/50/18/00/735501800.db2.gz XHKWGWIDMDDQKH-CQSZACIVSA-N 1 0 350.806 2.988 20 5 FFBDRO CC(C)[NH+](CCCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(C)C ZINC000074334115 728234472 /nfs/dbraw/zinc/23/44/72/728234472.db2.gz KZKKJDICZKAQJL-UHFFFAOYSA-N 1 0 352.391 2.742 20 5 FFBDRO Cc1cc(S(=O)(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)cc([N+](=O)[O-])c1F ZINC000093002859 728473020 /nfs/dbraw/zinc/47/30/20/728473020.db2.gz RATZDHMMJFDJSX-CYBMUJFWSA-N 1 0 373.450 2.537 20 5 FFBDRO Cc1c(C(=O)NC[C@H](CC(C)C)[NH+](C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000114377063 728559991 /nfs/dbraw/zinc/55/99/91/728559991.db2.gz NJRLEYULGQNPLL-ZDUSSCGKSA-N 1 0 352.391 2.518 20 5 FFBDRO C[NH+](C)CC[C@@H](NC(=O)COc1ccc([N+](=O)[O-])c(F)c1)C(C)(C)C ZINC000116129543 728569777 /nfs/dbraw/zinc/56/97/77/728569777.db2.gz CDYVCIJLDASRIR-OAHLLOKOSA-N 1 0 355.410 2.595 20 5 FFBDRO C[C@@H]1C[N@@H+](CCCCNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C[C@H](C)O1 ZINC000119107457 728588036 /nfs/dbraw/zinc/58/80/36/728588036.db2.gz PTEGVJQRUDWOHB-BETUJISGSA-N 1 0 369.849 2.867 20 5 FFBDRO COc1cc(C[NH2+][C@H](C)C[C@@H](O)c2ccco2)c([N+](=O)[O-])cc1OC ZINC000130552314 728719416 /nfs/dbraw/zinc/71/94/16/728719416.db2.gz VRMMITFOOFJLAL-BXUZGUMPSA-N 1 0 350.371 2.807 20 5 FFBDRO CC(C)[NH+]1CCC(NC(=O)COc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000130585527 728719840 /nfs/dbraw/zinc/71/98/40/728719840.db2.gz SRRZKFDVFAWLNG-UHFFFAOYSA-N 1 0 355.822 2.616 20 5 FFBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000132272317 728724087 /nfs/dbraw/zinc/72/40/87/728724087.db2.gz MIGFUFWFQFKQJW-ZDUSSCGKSA-N 1 0 373.450 2.585 20 5 FFBDRO CC[C@@](C)(CC(=O)OC)[NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000134145810 728728825 /nfs/dbraw/zinc/72/88/25/728728825.db2.gz DHTLDMOYQVULRE-HNNXBMFYSA-N 1 0 357.794 2.508 20 5 FFBDRO O=[N+]([O-])c1cc(Br)cc(-c2nc(C3CC[NH2+]CC3)no2)c1 ZINC000228559679 729549492 /nfs/dbraw/zinc/54/94/92/729549492.db2.gz RDNMCACJCRHIBC-UHFFFAOYSA-N 1 0 353.176 2.874 20 5 FFBDRO Cc1cc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)c(Br)cc1F ZINC000858150998 730417955 /nfs/dbraw/zinc/41/79/55/730417955.db2.gz PMCYVZCULDQCLE-UHFFFAOYSA-N 1 0 357.183 2.791 20 5 FFBDRO CC(C)[C@H]1C[NH2+]CCN1C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000859668333 730462427 /nfs/dbraw/zinc/46/24/27/730462427.db2.gz XXLRZWQNAVBKOI-CYBMUJFWSA-N 1 0 371.235 2.819 20 5 FFBDRO C[N@@H+]1CCCC[C@@H]1CCC(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000859689107 730463053 /nfs/dbraw/zinc/46/30/53/730463053.db2.gz NAPSEDPDIQJLEA-GFCCVEGCSA-N 1 0 352.362 2.724 20 5 FFBDRO O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000863031090 730744568 /nfs/dbraw/zinc/74/45/68/730744568.db2.gz CRCZRSJRMHTKRE-OAHLLOKOSA-N 1 0 353.369 2.820 20 5 FFBDRO COc1cc(C[NH2+]C[C@@H]2C[C@H]2C2CCOCC2)c([N+](=O)[O-])cc1OC ZINC000865785512 730997494 /nfs/dbraw/zinc/99/74/94/730997494.db2.gz VNOJDDRTMNIPFS-ZFWWWQNUSA-N 1 0 350.415 2.764 20 5 FFBDRO Cc1c(Br)c(N2CC[C@H]3[C@H](CC[N@H+]3C)C2)ncc1[N+](=O)[O-] ZINC000866209446 731040799 /nfs/dbraw/zinc/04/07/99/731040799.db2.gz SAILVMWUBUIYIN-MNOVXSKESA-N 1 0 355.236 2.591 20 5 FFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000866394572 731054792 /nfs/dbraw/zinc/05/47/92/731054792.db2.gz WIFPPWYPKSSZIV-OLZOCXBDSA-N 1 0 351.422 2.902 20 5 FFBDRO C[C@@]([NH3+])(C(=O)NCCC[C@H]1CC1(Cl)Cl)c1cccc([N+](=O)[O-])c1 ZINC000867983110 731248757 /nfs/dbraw/zinc/24/87/57/731248757.db2.gz KHZDBGNTBKZPAZ-FZMZJTMJSA-N 1 0 360.241 2.859 20 5 FFBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000872033932 731722855 /nfs/dbraw/zinc/72/28/55/731722855.db2.gz KKZZUQLTOWVPST-NWANDNLSSA-N 1 0 351.472 2.831 20 5 FFBDRO CC[C@@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC)C(=O)N1CCOCC1 ZINC000872040727 731723366 /nfs/dbraw/zinc/72/33/66/731723366.db2.gz BRXMNKCXVYRUAQ-SWLSCSKDSA-N 1 0 367.471 2.605 20 5 FFBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC1(S(C)(=O)=O)CCC1 ZINC000872068697 731726266 /nfs/dbraw/zinc/72/62/66/731726266.db2.gz HVIDIJWDSUEQNP-NSHDSACASA-N 1 0 358.485 2.935 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CC2(c3cccc(Cl)c3)CCC2)c1 ZINC000872229682 731742418 /nfs/dbraw/zinc/74/24/18/731742418.db2.gz RLGHOSDSZQHLHH-MRXNPFEDSA-N 1 0 364.833 2.517 20 5 FFBDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000874832575 732104953 /nfs/dbraw/zinc/10/49/53/732104953.db2.gz FXRPAPWJXNNTGN-QWHCGFSZSA-N 1 0 355.341 2.505 20 5 FFBDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000874837253 732106028 /nfs/dbraw/zinc/10/60/28/732106028.db2.gz KDHRYTIVDCPRMV-QWHCGFSZSA-N 1 0 357.332 2.922 20 5 FFBDRO [NH3+]C[C@H]1CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC[C@H]1C(F)(F)F ZINC000877018234 732313152 /nfs/dbraw/zinc/31/31/52/732313152.db2.gz UCYCADUQRDWYAI-GZMMTYOYSA-N 1 0 365.739 2.848 20 5 FFBDRO O=C1N[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C[C@@H]2CO1 ZINC000877497664 732373278 /nfs/dbraw/zinc/37/32/78/732373278.db2.gz WQEKQGIHXLNIRM-PWSUYJOCSA-N 1 0 359.304 2.544 20 5 FFBDRO CC(C)(C)OC(=O)[C@@H]1CC[C@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000877608497 732397956 /nfs/dbraw/zinc/39/79/56/732397956.db2.gz RPRZDCZCKVIEDX-KBHBFKLGSA-N 1 0 350.419 2.595 20 5 FFBDRO COC(=O)[C@@H]1OCC[C@@H]1C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000877725471 732419763 /nfs/dbraw/zinc/41/97/63/732419763.db2.gz CIGDCYDANULKEP-AMIZOPFISA-N 1 0 363.197 2.569 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@](O)(c2ccc(Cl)cc2)C1 ZINC000878802348 732596317 /nfs/dbraw/zinc/59/63/17/732596317.db2.gz FKSFHYGJWBIKOA-QGZVFWFLSA-N 1 0 364.833 2.737 20 5 FFBDRO C[C@@](CO)([NH2+]C[C@H](O)c1ccc(F)cc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000879271602 732676366 /nfs/dbraw/zinc/67/63/66/732676366.db2.gz GTWFLWAJBJLWHA-IRXDYDNUSA-N 1 0 368.792 2.918 20 5 FFBDRO C[C@](CO)([NH2+]C[C@@H](O)c1cccc(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000879272942 732676663 /nfs/dbraw/zinc/67/66/63/732676663.db2.gz FOUCORCMPRWESP-IAGOWNOFSA-N 1 0 350.802 2.779 20 5 FFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879574817 732727427 /nfs/dbraw/zinc/72/74/27/732727427.db2.gz GUKFXXPCEYUUOS-WQGACYEGSA-N 1 0 366.849 2.601 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@@H]2CC=CC[C@H]2C(F)(F)F)c1 ZINC000879667823 732747701 /nfs/dbraw/zinc/74/77/01/732747701.db2.gz UCLYKMPKQMOSRL-NWANDNLSSA-N 1 0 360.332 2.821 20 5 FFBDRO O=C(CC[NH2+][C@@H]1CCC[C@]12CCCO2)Nc1cc([N+](=O)[O-])ccc1F ZINC000880505217 732915697 /nfs/dbraw/zinc/91/56/97/732915697.db2.gz JLTRQUGZTAXCHN-WBVHZDCISA-N 1 0 351.378 2.754 20 5 FFBDRO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CCN1c1cc[nH+]cc1 ZINC000881635577 733077431 /nfs/dbraw/zinc/07/74/31/733077431.db2.gz GOQKQHKUGYYFBV-LBPRGKRZSA-N 1 0 360.801 2.994 20 5 FFBDRO CCOc1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)S3(=O)=O)cc1[N+](=O)[O-] ZINC000927042359 738685169 /nfs/dbraw/zinc/68/51/69/738685169.db2.gz YAXURBLOQFHLFI-JZIBPQBNSA-N 1 0 368.455 2.752 20 5 FFBDRO CC1(C)O[C@@H]2C[C@@H]([NH2+][C@@H]3CCCC[C@@H]3n3ccc([N+](=O)[O-])n3)C[C@@H]2O1 ZINC000927056600 738686932 /nfs/dbraw/zinc/68/69/32/738686932.db2.gz LCWXHLAHWPLFGW-QMIVOQANSA-N 1 0 350.419 2.547 20 5 FFBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]CC[C@@H]1CCCS1(=O)=O ZINC000883307242 733366122 /nfs/dbraw/zinc/36/61/22/733366122.db2.gz PNDZGEOZVIBMQE-BHYGNILZSA-N 1 0 366.483 2.863 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H](O)C(F)(F)C(F)(F)F ZINC000883362694 733373640 /nfs/dbraw/zinc/37/36/40/733373640.db2.gz LJYVOQYGSNEMFN-HQJQHLMTSA-N 1 0 358.263 2.813 20 5 FFBDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2cccnc2[N+](=O)[O-])C1(C)C ZINC000886238571 733765017 /nfs/dbraw/zinc/76/50/17/733765017.db2.gz CRWLPEUETQMLBR-CYBMUJFWSA-N 1 0 350.419 2.867 20 5 FFBDRO O=C(C[N@@H+]1CC[C@@H]([C@@H]2CCCO2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000886829647 733845930 /nfs/dbraw/zinc/84/59/30/733845930.db2.gz DTAHCHCJZBRYFN-ABAIWWIYSA-N 1 0 353.806 2.688 20 5 FFBDRO O=C(CN1CCCC[C@]2(CC[NH2+]C2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000886872163 733851328 /nfs/dbraw/zinc/85/13/28/733851328.db2.gz LCGCPTXMNGNKTL-QGZVFWFLSA-N 1 0 366.849 2.652 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2nc(-c3cn([C@H]4CCC[NH2+]C4)nn3)cs2)c1 ZINC000887407601 733924783 /nfs/dbraw/zinc/92/47/83/733924783.db2.gz JYZCJXXQLFGKLR-ZDUSSCGKSA-N 1 0 356.411 2.901 20 5 FFBDRO CCOc1cc(NC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000888834917 734103791 /nfs/dbraw/zinc/10/37/91/734103791.db2.gz WVKHUKQVPDHCDI-CYBMUJFWSA-N 1 0 350.419 2.799 20 5 FFBDRO CN(Cc1ccc(Br)c([N+](=O)[O-])c1)[C@@H](C[NH3+])C(F)(F)F ZINC000700506092 734354467 /nfs/dbraw/zinc/35/44/67/734354467.db2.gz XWXBOTSQHGMQMX-JTQLQIEISA-N 1 0 356.142 2.679 20 5 FFBDRO CC(C)(C)OC(=O)NCC1([NH2+]Cc2csc([N+](=O)[O-])c2)CCOCC1 ZINC000707887950 734361869 /nfs/dbraw/zinc/36/18/69/734361869.db2.gz XLVLNGFEKVSCEM-UHFFFAOYSA-N 1 0 371.459 2.820 20 5 FFBDRO O=C(NCC[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1ccc(F)cc1 ZINC000731452487 734679466 /nfs/dbraw/zinc/67/94/66/734679466.db2.gz AQZFZYXCDXSMNZ-UHFFFAOYSA-N 1 0 351.765 2.907 20 5 FFBDRO CO[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000733328930 734809440 /nfs/dbraw/zinc/80/94/40/734809440.db2.gz HUDWDYUHFNJZPF-CYBMUJFWSA-N 1 0 358.320 2.662 20 5 FFBDRO O=[N+]([O-])c1cc2c(ncnc2N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)s1 ZINC000895570235 735025687 /nfs/dbraw/zinc/02/56/87/735025687.db2.gz RPMCMYZRWRQWEZ-GHMZBOCLSA-N 1 0 351.457 2.591 20 5 FFBDRO CC[C@@H](C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1C)[NH+](CC)CC ZINC000741032923 735111758 /nfs/dbraw/zinc/11/17/58/735111758.db2.gz LKHBWSZGPLCLTQ-HNNXBMFYSA-N 1 0 351.403 2.505 20 5 FFBDRO C[C@]1([C@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])c(Cl)c3)C2)COC(=O)N1 ZINC000896394746 735152325 /nfs/dbraw/zinc/15/23/25/735152325.db2.gz FSJLNRIASNBVPG-BLLLJJGKSA-N 1 0 353.806 2.959 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])c(NCCCC[NH+]2CCOCC2)cc1Cl ZINC000741750993 735160505 /nfs/dbraw/zinc/16/05/05/735160505.db2.gz OCOMDBISXBEUFM-UHFFFAOYSA-N 1 0 371.821 2.559 20 5 FFBDRO O=C1c2ccccc2C(=O)N1CC[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000748819363 735674828 /nfs/dbraw/zinc/67/48/28/735674828.db2.gz FZKBJZIVEAVBND-UHFFFAOYSA-N 1 0 359.769 2.634 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000749544343 735729919 /nfs/dbraw/zinc/72/99/19/735729919.db2.gz DEKWYRDGEKPQCG-HYVNUMGLSA-N 1 0 353.850 2.932 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CC2(N3CCSCC3)CCCC2)c1 ZINC000749672234 735737487 /nfs/dbraw/zinc/73/74/87/735737487.db2.gz QPLHBPVUBALIOW-QGZVFWFLSA-N 1 0 365.499 2.579 20 5 FFBDRO COc1cc([C@H](C)[NH2+][C@H](CO)[C@H]2CCC[C@@H](OC)C2)cc([N+](=O)[O-])c1 ZINC000903201060 736053953 /nfs/dbraw/zinc/05/39/53/736053953.db2.gz WLHVUNHDMMCFJG-HINSOXJESA-N 1 0 352.431 2.820 20 5 FFBDRO COc1cc([C@H](C)[NH2+]C[C@H](O)C(F)(F)C(F)(F)F)cc([N+](=O)[O-])c1 ZINC000903222006 736058498 /nfs/dbraw/zinc/05/84/98/736058498.db2.gz WGJHYPPWXDIULA-CPCISQLKSA-N 1 0 358.263 2.813 20 5 FFBDRO C[NH+](C)C(C)(C)CNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000754973541 736220865 /nfs/dbraw/zinc/22/08/65/736220865.db2.gz IEVYSTVSUADMAB-UHFFFAOYSA-N 1 0 362.199 2.566 20 5 FFBDRO O=C(C[N@@H+]1CC[C@H](C2CCOCC2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000755057592 736229568 /nfs/dbraw/zinc/22/95/68/736229568.db2.gz SAONZESWXGPWIZ-ZDUSSCGKSA-N 1 0 367.833 2.935 20 5 FFBDRO CC1(C)C[C@@H](C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C(C)(C)O1 ZINC000905619917 736370419 /nfs/dbraw/zinc/37/04/19/736370419.db2.gz OMELFDPMFDKZFE-ZDUSSCGKSA-N 1 0 370.471 2.552 20 5 FFBDRO C[NH+](C)CC[C@H](NC(=S)Nc1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC000905662062 736379049 /nfs/dbraw/zinc/37/90/49/736379049.db2.gz XWKDCBANXOIPMT-INIZCTEOSA-N 1 0 359.455 2.969 20 5 FFBDRO C[NH+](C)CC1CCN(C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000906674331 736531947 /nfs/dbraw/zinc/53/19/47/736531947.db2.gz WAYVGXNZCPYVLJ-UHFFFAOYSA-N 1 0 353.850 2.981 20 5 FFBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000763275355 736921923 /nfs/dbraw/zinc/92/19/23/736921923.db2.gz GLRFIKIPYDRJCM-CYBMUJFWSA-N 1 0 357.863 2.644 20 5 FFBDRO CN(C)[C@]1(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCSC1 ZINC000766439070 737229792 /nfs/dbraw/zinc/22/97/92/737229792.db2.gz MXJDUMMZQXKXBN-SFHVURJKSA-N 1 0 364.515 2.591 20 5 FFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CN2CCC[C@@H]2CO1 ZINC000768100853 737397821 /nfs/dbraw/zinc/39/78/21/737397821.db2.gz DFSOZXIAKWMJTG-BZUAXINKSA-N 1 0 365.499 2.918 20 5 FFBDRO O=[N+]([O-])c1cc2cnn(C[N@@H+]3CC[C@@H]([C@H]4CCOC4)C3)c2c(Cl)c1 ZINC000774637570 738008127 /nfs/dbraw/zinc/00/81/27/738008127.db2.gz BZFOMPMQEGUACJ-NEPJUHHUSA-N 1 0 350.806 2.914 20 5 FFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000922848694 738208882 /nfs/dbraw/zinc/20/88/82/738208882.db2.gz ATCPUUDACJCCNW-BORBWPHNSA-N 1 0 350.440 2.696 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000923298433 738267373 /nfs/dbraw/zinc/26/73/73/738267373.db2.gz CKLLBHJYVLUOEE-BNOWGMLFSA-N 1 0 367.833 2.711 20 5 FFBDRO C[C@]1(CC[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1(Cl)Cl ZINC000819350817 742380084 /nfs/dbraw/zinc/38/00/84/742380084.db2.gz RURHDKQNLPXGEU-FZMZJTMJSA-N 1 0 363.241 2.898 20 5 FFBDRO O=C(N1CCC[C@@H]([NH+]2CCCC2)C1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778263262 738367703 /nfs/dbraw/zinc/36/77/03/738367703.db2.gz ZFDGKUMWCDOWSA-OAHLLOKOSA-N 1 0 353.369 2.773 20 5 FFBDRO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000930368685 739095436 /nfs/dbraw/zinc/09/54/36/739095436.db2.gz NMZLXUULBWWSMI-LBPRGKRZSA-N 1 0 351.834 2.781 20 5 FFBDRO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)Nc1cccc([N+](=O)[O-])c1Cl ZINC000931296888 739240065 /nfs/dbraw/zinc/24/00/65/739240065.db2.gz CNUAPDRCVYHAMQ-GFCCVEGCSA-N 1 0 368.821 2.623 20 5 FFBDRO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2Cc2ccc([N+](=O)[O-])c(F)c2)C[C@H](C)O1 ZINC000788477197 739248455 /nfs/dbraw/zinc/24/84/55/739248455.db2.gz VCPCLEALYNAYQH-LZWOXQAQSA-N 1 0 351.422 2.808 20 5 FFBDRO C[C@H](O)CCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000789318621 739336909 /nfs/dbraw/zinc/33/69/09/739336909.db2.gz IONRVCJAIMRIHS-LBPRGKRZSA-N 1 0 361.364 2.897 20 5 FFBDRO C[C@]1([C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3[N+](=O)[O-])C2)COC(=O)N1 ZINC000932024292 739375157 /nfs/dbraw/zinc/37/51/57/739375157.db2.gz IEMTYIBALDGTQC-MLGOLLRUSA-N 1 0 353.806 2.959 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1C[C@@H](SC)[C@H]([NH+](C)C)C1 ZINC000790271455 739431642 /nfs/dbraw/zinc/43/16/42/739431642.db2.gz AIMCMOALZNBYFH-CHWSQXEVSA-N 1 0 373.862 2.517 20 5 FFBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000933778381 739688882 /nfs/dbraw/zinc/68/88/82/739688882.db2.gz GVFSWKCCZMRBRN-AWEZNQCLSA-N 1 0 351.422 2.857 20 5 FFBDRO O=C(C[NH2+][C@@H]1CCOC12CCCC2)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000934390013 739779516 /nfs/dbraw/zinc/77/95/16/739779516.db2.gz GIFFIQSQTLJYKA-CQSZACIVSA-N 1 0 353.806 2.878 20 5 FFBDRO C[C@H]1C[C@H](NC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000934392854 739780489 /nfs/dbraw/zinc/78/04/89/739780489.db2.gz CYLOKQWSEZAZSV-RYUDHWBXSA-N 1 0 351.834 2.922 20 5 FFBDRO COc1ccc(C[NH2+]CC2CN(C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000798272892 740318829 /nfs/dbraw/zinc/31/88/29/740318829.db2.gz IZTDMULNEZUFAR-UHFFFAOYSA-N 1 0 351.403 2.560 20 5 FFBDRO C[NH+](C)C[C@@H](NC(=O)c1ccc(N)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000802375160 740699328 /nfs/dbraw/zinc/69/93/28/740699328.db2.gz HAYNWFKGODGYQL-OAHLLOKOSA-N 1 0 362.817 2.863 20 5 FFBDRO C[C@@H]1C[N@@H+](CCCCNc2c([N+](=O)[O-])cccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000804539981 740882103 /nfs/dbraw/zinc/88/21/03/740882103.db2.gz RGBXTUUJPKFCJM-BETUJISGSA-N 1 0 352.391 2.804 20 5 FFBDRO O=[N+]([O-])c1ccc(C[NH2+]CCn2cc(Br)cn2)cc1Cl ZINC000809710238 741335248 /nfs/dbraw/zinc/33/52/48/741335248.db2.gz OGYOGCJMTYCQNM-UHFFFAOYSA-N 1 0 359.611 2.997 20 5 FFBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000809914814 741360015 /nfs/dbraw/zinc/36/00/15/741360015.db2.gz OMCLYZRATHJLTN-NSHDSACASA-N 1 0 358.826 2.727 20 5 FFBDRO C[NH+](C)CCCOC1CCN(C(=O)c2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000816943821 742075245 /nfs/dbraw/zinc/07/52/45/742075245.db2.gz KUGCJSJTMZKMOC-UHFFFAOYSA-N 1 0 369.849 2.821 20 5 FFBDRO C[C@H]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C[C@@H]1C[NH3+] ZINC000818008130 742229240 /nfs/dbraw/zinc/22/92/40/742229240.db2.gz DNGJVCCSUZPPAU-IUCAKERBSA-N 1 0 374.210 2.553 20 5 FFBDRO CC(C)(C)OC(=O)NC(C)(C)C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819128092 742340984 /nfs/dbraw/zinc/34/09/84/742340984.db2.gz PRCMJDZKIUAOCX-AWEZNQCLSA-N 1 0 353.419 2.521 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@H]2COC3(CCCCCC3)O2)cc1 ZINC000819211761 742354352 /nfs/dbraw/zinc/35/43/52/742354352.db2.gz FKWBCGSMBIPTBN-DLBZAZTESA-N 1 0 350.415 2.684 20 5 FFBDRO Cc1cc(Cl)c(C(=O)N2CCN(c3cc[nH+]cc3)CC2)cc1[N+](=O)[O-] ZINC000823748341 742973650 /nfs/dbraw/zinc/97/36/50/742973650.db2.gz XXJCKJUTAARYRT-UHFFFAOYSA-N 1 0 360.801 2.914 20 5 FFBDRO CS(=O)(=O)CC1CCC([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000824533535 743100074 /nfs/dbraw/zinc/10/00/74/743100074.db2.gz HACHPXSXAAYIGK-UHFFFAOYSA-N 1 0 360.863 2.941 20 5 FFBDRO C[C@@]1(NC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])C[NH+]2CCC1CC2 ZINC000824894805 743172969 /nfs/dbraw/zinc/17/29/69/743172969.db2.gz MCPXIDNIUACASG-QGZVFWFLSA-N 1 0 351.834 2.781 20 5 FFBDRO C[N@@H+]1CC[C@H]2CN(C(=O)c3ccc(Br)cc3[N+](=O)[O-])CC[C@H]21 ZINC000827311620 743553940 /nfs/dbraw/zinc/55/39/40/743553940.db2.gz QJMKOMBBXAGOKU-GXFFZTMASA-N 1 0 368.231 2.524 20 5 FFBDRO CC1(C)[C@H]([NH2+]CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@H]2CCCO[C@@H]21 ZINC000831319778 745514422 /nfs/dbraw/zinc/51/44/22/745514422.db2.gz AHJPQWYWHJEWPS-LYRGGWFBSA-N 1 0 367.833 2.980 20 5 FFBDRO CC[NH+](CC)[C@H](C)CNC(=O)c1cc(Cl)c([N+](=O)[O-])cc1NC(C)=O ZINC000831495613 745537767 /nfs/dbraw/zinc/53/77/67/745537767.db2.gz OVMFPLBSNVHEMS-SNVBAGLBSA-N 1 0 370.837 2.667 20 5 FFBDRO C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CCN(CC(F)(F)F)CC1 ZINC000832621639 745728180 /nfs/dbraw/zinc/72/81/80/745728180.db2.gz YXGCROWQGZNIHI-HNNXBMFYSA-N 1 0 361.364 2.587 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(C(=O)NC[C@]2([NH+](C)C)CCSC2)cc1Cl ZINC000836738233 746294593 /nfs/dbraw/zinc/29/45/93/746294593.db2.gz JFDZOAVFZVZMRE-OAHLLOKOSA-N 1 0 357.863 2.724 20 5 FFBDRO CC[C@@H](C)[NH+]1CCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000837003985 746347164 /nfs/dbraw/zinc/34/71/64/746347164.db2.gz DGYKUMMMGRYCDL-LLVKDONJSA-N 1 0 357.813 2.873 20 5 FFBDRO CC[C@H](C)[NH+]1CCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000837003987 746347340 /nfs/dbraw/zinc/34/73/40/746347340.db2.gz DGYKUMMMGRYCDL-NSHDSACASA-N 1 0 357.813 2.873 20 5 FFBDRO CC1(C)CCC[N@@H+]1CCNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000837175504 746385469 /nfs/dbraw/zinc/38/54/69/746385469.db2.gz SXKOXHGFAGNOQG-UHFFFAOYSA-N 1 0 357.813 2.920 20 5 FFBDRO CC(C)[N@@H+]1CCCC[C@H]1COC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000837478193 746455558 /nfs/dbraw/zinc/45/55/58/746455558.db2.gz XFOZIULXLLIZGQ-ZDUSSCGKSA-N 1 0 354.378 2.919 20 5 FFBDRO CC[NH+]1CCC(N(C)CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000839505796 746842583 /nfs/dbraw/zinc/84/25/83/746842583.db2.gz UJCOFKPHBLUHBL-UHFFFAOYSA-N 1 0 354.838 2.603 20 5 FFBDRO COC(=O)C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1Br)C1CC1 ZINC000839553351 746854231 /nfs/dbraw/zinc/85/42/31/746854231.db2.gz PHLLDSZMTZECBB-LLVKDONJSA-N 1 0 357.204 2.789 20 5 FFBDRO COCC[C@]1([NH2+]Cc2cccc([N+](=O)[O-])c2Br)CCOC1 ZINC000839582329 746862035 /nfs/dbraw/zinc/86/20/35/746862035.db2.gz DSWARPWHVIGVST-AWEZNQCLSA-N 1 0 359.220 2.643 20 5 FFBDRO CO[C@](C)([C@@H](C)[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C1CC1 ZINC000839641070 746878920 /nfs/dbraw/zinc/87/89/20/746878920.db2.gz TXZFKFSGTGXKKA-PIGZYNQJSA-N 1 0 353.394 2.856 20 5 FFBDRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000841099334 747269010 /nfs/dbraw/zinc/26/90/10/747269010.db2.gz IFYNBNKSDRSIGC-DLBZAZTESA-N 1 0 353.850 2.967 20 5 FFBDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841162328 747285049 /nfs/dbraw/zinc/28/50/49/747285049.db2.gz UHFITHTWQKREMB-IUCAKERBSA-N 1 0 357.208 2.558 20 5 FFBDRO C[C@H]1CCN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000841162352 747285128 /nfs/dbraw/zinc/28/51/28/747285128.db2.gz VHDNLLPPPGVLNX-UWVGGRQHSA-N 1 0 371.235 2.806 20 5 FFBDRO CCNS(=O)(=O)c1cccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000842159943 747536380 /nfs/dbraw/zinc/53/63/80/747536380.db2.gz CVWRCKDXSNCEDV-ZDUSSCGKSA-N 1 0 363.439 2.744 20 5 FFBDRO O=C(CN1CCC([C@@H]2CCC[NH2+]2)CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000842472356 747612540 /nfs/dbraw/zinc/61/25/40/747612540.db2.gz FASOLNSYQJKTEA-HNNXBMFYSA-N 1 0 366.849 2.651 20 5 FFBDRO [NH3+][C@@H]1CCO[C@H](C2CCN(C(=O)c3cccc(Cl)c3[N+](=O)[O-])CC2)C1 ZINC000842510036 747623504 /nfs/dbraw/zinc/62/35/04/747623504.db2.gz OARKWHVQJBVEJG-DOMZBBRYSA-N 1 0 367.833 2.607 20 5 FFBDRO CC(C)[N@@H+]1CCC[C@H](COC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000842836756 747703154 /nfs/dbraw/zinc/70/31/54/747703154.db2.gz RFHPYRJWBCHQQN-LBPRGKRZSA-N 1 0 350.371 2.601 20 5 FFBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000843504065 747845382 /nfs/dbraw/zinc/84/53/82/747845382.db2.gz NYSUBMLNDMDDDK-LLVKDONJSA-N 1 0 355.797 2.721 20 5 FFBDRO CC(C)O[C@H]1CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000844381917 748018144 /nfs/dbraw/zinc/01/81/44/748018144.db2.gz ONMAOOBEZVDQRH-AWEZNQCLSA-N 1 0 353.394 2.952 20 5 FFBDRO COc1ccc(CSCC(=O)OC[C@@H]2CC[N@H+](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000845815560 748330162 /nfs/dbraw/zinc/33/01/62/748330162.db2.gz UGGBFTRWJJCTIJ-OCCSQVGLSA-N 1 0 368.455 2.720 20 5 FFBDRO C[C@@H]1CCCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1CC[NH3+] ZINC000846226686 748434125 /nfs/dbraw/zinc/43/41/25/748434125.db2.gz TWFARLKASMGXEZ-RISCZKNCSA-N 1 0 354.838 2.636 20 5 FFBDRO C[C@@H]1CCCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])[C@H]1CC[NH3+] ZINC000846693172 748525230 /nfs/dbraw/zinc/52/52/30/748525230.db2.gz DFDKERUFIIFZJD-YGRLFVJLSA-N 1 0 357.813 2.906 20 5 FFBDRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000847161521 748633212 /nfs/dbraw/zinc/63/32/12/748633212.db2.gz URLPUKIMMOMXKO-JGZJWPJOSA-N 1 0 371.235 2.819 20 5 FFBDRO CC[C@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000850519786 749381692 /nfs/dbraw/zinc/38/16/92/749381692.db2.gz QIMSINYQPVSRJI-LBPRGKRZSA-N 1 0 354.350 2.613 20 5 FFBDRO COC(=O)[C@H]1C[C@@H]([N@H+](C)Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000852696582 749927811 /nfs/dbraw/zinc/92/78/11/749927811.db2.gz OFNXFQIULOVBKE-PHIMTYICSA-N 1 0 357.204 2.741 20 5 FFBDRO O=[N+]([O-])c1ccc2nc(N3CCC(CO)([NH2+]CC4CC4)CC3)sc2c1 ZINC000853677225 750133561 /nfs/dbraw/zinc/13/35/61/750133561.db2.gz MEGFJFWRRSKPTK-UHFFFAOYSA-N 1 0 362.455 2.535 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c(C(F)(F)F)c1 ZINC000853966354 750211571 /nfs/dbraw/zinc/21/15/71/750211571.db2.gz SVDBJPXAAWPQKI-ZDUSSCGKSA-N 1 0 359.348 2.649 20 5 FFBDRO COc1ccc(F)cc1CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000895803704 970971018 /nfs/dbraw/zinc/97/10/18/970971018.db2.gz BYDLLSJUVZGFHO-UHFFFAOYSA-N 1 0 374.416 2.939 20 5 FFBDRO Cn1ccnc1[C@H](NC[C@H]1CCC(C)(C)C[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000873234185 1013435955 /nfs/dbraw/zinc/43/59/55/1013435955.db2.gz CMLGZYTZAKOPSZ-NVXWUHKLSA-N 1 0 357.458 2.786 20 5 FFBDRO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1cc2cnccc2o1 ZINC001175637682 1013518883 /nfs/dbraw/zinc/51/88/83/1013518883.db2.gz AYWXYNIWEMONJA-GXTWGEPZSA-N 1 0 357.366 2.827 20 5 FFBDRO CC(C)[NH+]1CCC(N(C)c2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])CC1 ZINC000891681844 964815253 /nfs/dbraw/zinc/81/52/53/964815253.db2.gz BDPKPRNQXKVULJ-UHFFFAOYSA-N 1 0 358.442 2.756 20 5 FFBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H](C(CC)CC)[NH+](C)C ZINC001211530575 965567100 /nfs/dbraw/zinc/56/71/00/965567100.db2.gz GTZGTQPQTABMHQ-INIZCTEOSA-N 1 0 371.503 2.802 20 5 FFBDRO CC(=O)N1CCN(c2cc[nH+]cc2Nc2ccc(/C=C/[N+](=O)[O-])cc2)CC1 ZINC001175902483 1013586567 /nfs/dbraw/zinc/58/65/67/1013586567.db2.gz MOIGUDBPSNYDRG-VQHVLOKHSA-N 1 0 367.409 2.741 20 5 FFBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[N@H+](C2CCCC2)[C@@H](C)C1 ZINC001176154999 1013647745 /nfs/dbraw/zinc/64/77/45/1013647745.db2.gz TVZBNJJDKFURJY-GJZGRUSLSA-N 1 0 360.458 2.871 20 5 FFBDRO COC(=O)c1cc(C)nc(N2C(C)(C)CC([NH3+])CC2(C)C)c1[N+](=O)[O-] ZINC001167625359 967024942 /nfs/dbraw/zinc/02/49/42/967024942.db2.gz WGWXJPCSEMLZGU-UHFFFAOYSA-N 1 0 350.419 2.570 20 5 FFBDRO C[C@H]1C[C@H](C)CN(c2ccc(C(=O)N3CC[NH2+]C[C@@H]3C)cc2[N+](=O)[O-])C1 ZINC000125705296 967238254 /nfs/dbraw/zinc/23/82/54/967238254.db2.gz DWILAGJESUTVGP-KKUMJFAQSA-N 1 0 360.458 2.511 20 5 FFBDRO Cc1ccc(NCCCNC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)nc1 ZINC000177521665 969252147 /nfs/dbraw/zinc/25/21/47/969252147.db2.gz ZFZVWDREGYEJOI-UHFFFAOYSA-N 1 0 357.414 2.596 20 5 FFBDRO COc1c(O)ccc(C[NH2+][C@@H](Cc2ccccc2)CN(C)C)c1[N+](=O)[O-] ZINC000892649482 969698960 /nfs/dbraw/zinc/69/89/60/969698960.db2.gz PODWDVZWOJXRIO-INIZCTEOSA-N 1 0 359.426 2.572 20 5 FFBDRO CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000825822201 1014086642 /nfs/dbraw/zinc/08/66/42/1014086642.db2.gz DRYAOFDRCMOPJK-LJQANCHMSA-N 1 0 371.437 2.785 20 5 FFBDRO CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000825822199 1014086710 /nfs/dbraw/zinc/08/67/10/1014086710.db2.gz DRYAOFDRCMOPJK-IBGZPJMESA-N 1 0 371.437 2.785 20 5 FFBDRO C[C@@H](CNC(=O)N1CC[C@H](C[NH+]2CCCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000897067546 973216968 /nfs/dbraw/zinc/21/69/68/973216968.db2.gz KYSPWJYLYSCQFU-JKSUJKDBSA-N 1 0 360.458 2.826 20 5 FFBDRO CC(C)[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ccc(Cl)cc1 ZINC001481350615 974282332 /nfs/dbraw/zinc/28/23/32/974282332.db2.gz MYZZRBBPCZWSLI-HZPDHXFCSA-N 1 0 353.850 2.722 20 5 FFBDRO C[C@H](OC(=O)[C@@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1)c1ccccc1[N+](=O)[O-] ZINC000876466367 1014278374 /nfs/dbraw/zinc/27/83/74/1014278374.db2.gz BCITYVLUSRUNCJ-XKQJLSEDSA-N 1 0 372.425 2.668 20 5 FFBDRO C[N@@H+]1CCCN(c2ccc(NC(=O)c3ccc(N)c([N+](=O)[O-])c3)cc2)CC1 ZINC000054012421 976179478 /nfs/dbraw/zinc/17/94/78/976179478.db2.gz LGFYMRUJEMIUND-UHFFFAOYSA-N 1 0 369.425 2.571 20 5 FFBDRO O=[N+]([O-])c1cc(-c2cc(C[NH+]3CCC(O)CC3)on2)ccc1N1CCCC1 ZINC000899258190 977051246 /nfs/dbraw/zinc/05/12/46/977051246.db2.gz HIEIVWNNDXRWLW-UHFFFAOYSA-N 1 0 372.425 2.807 20 5 FFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@@H](c3ccco3)N3CCCCC3)C2)c1 ZINC000876891135 1014411115 /nfs/dbraw/zinc/41/11/15/1014411115.db2.gz QSVNSBAUYAEJBY-DQPZFDDXSA-N 1 0 359.430 2.905 20 5 FFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@H]3CCN(c4ccc(F)cc4)C3)C2)c1 ZINC000876970244 1014436273 /nfs/dbraw/zinc/43/62/73/1014436273.db2.gz MFPUAQOCVIUWJQ-BZOOQXSSSA-N 1 0 359.405 2.750 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCN3CCc4ccccc43)CC2)cn1 ZINC000876982864 1014439765 /nfs/dbraw/zinc/43/97/65/1014439765.db2.gz IOEHJEPDPVJHAH-UHFFFAOYSA-N 1 0 367.453 2.611 20 5 FFBDRO [NH3+]C[C@H]1CN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C[C@@H]1C(F)(F)F ZINC000877354335 1014559377 /nfs/dbraw/zinc/55/93/77/1014559377.db2.gz FJCHGMLMVYVFFY-FZMZJTMJSA-N 1 0 371.359 2.612 20 5 FFBDRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000843785227 979788891 /nfs/dbraw/zinc/78/88/91/979788891.db2.gz NAGPERQQFSETCS-UHFFFAOYSA-N 1 0 356.426 2.727 20 5 FFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@H](O)c3ccc(C(F)(F)F)cc3)C2)c1 ZINC000877534093 1014616496 /nfs/dbraw/zinc/61/64/96/1014616496.db2.gz XRXZKGZRMFPLMI-PIMMBPRGSA-N 1 0 370.331 2.837 20 5 FFBDRO C[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[C@@H](O)c1ccccc1 ZINC000877535171 1014617276 /nfs/dbraw/zinc/61/72/76/1014617276.db2.gz KBZRNPNODAFWQK-AUUYWEPGSA-N 1 0 356.426 2.670 20 5 FFBDRO CC1(C)C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC2(CCCC2)O1 ZINC000190952003 980344389 /nfs/dbraw/zinc/34/43/89/980344389.db2.gz XKWYFVTYXCTOJY-INIZCTEOSA-N 1 0 364.442 2.758 20 5 FFBDRO Cn1nccc1[C@@H]1CCCN1Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000905734665 980501671 /nfs/dbraw/zinc/50/16/71/980501671.db2.gz GVXOQCQDQIHAIP-SFHVURJKSA-N 1 0 352.398 2.986 20 5 FFBDRO Cn1nccc1[C@H]1CCCN1Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000905734377 980502038 /nfs/dbraw/zinc/50/20/38/980502038.db2.gz CPWVBYMIHVMUCR-GOSISDBHSA-N 1 0 352.398 2.986 20 5 FFBDRO CC1(Nc2ncccc2NC(=O)c2ccccc2[N+](=O)[O-])CC[NH2+]CC1 ZINC001168182143 980682776 /nfs/dbraw/zinc/68/27/76/980682776.db2.gz LWLGNYAYZCXLCJ-UHFFFAOYSA-N 1 0 355.398 2.796 20 5 FFBDRO CC(C)(C)OC(=O)CN1CCC([NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000877721382 1014699439 /nfs/dbraw/zinc/69/94/39/1014699439.db2.gz XERCOEUPVUNQAM-UHFFFAOYSA-N 1 0 363.458 2.533 20 5 FFBDRO Cn1cc(CN2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000877742595 1014703884 /nfs/dbraw/zinc/70/38/84/1014703884.db2.gz FMBCPXUUWJFOHF-MAUKXSAKSA-N 1 0 355.442 2.521 20 5 FFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC([NH+]2CCN(C)CC2)CC1 ZINC000877746861 1014706996 /nfs/dbraw/zinc/70/69/96/1014706996.db2.gz ZTBPLJVNWHEHRN-VKAVYKQESA-N 1 0 358.486 2.710 20 5 FFBDRO Cn1cc(C[N@@H+]2CCC[C@H](C(C)(C)O)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000877797068 1014729962 /nfs/dbraw/zinc/72/99/62/1014729962.db2.gz PRKHQVYBEMCRCG-INIZCTEOSA-N 1 0 358.442 2.978 20 5 FFBDRO COc1cccc(C(=O)N(C)Cc2ncc(C)c(OC)c2C)c1[N+](=O)[O-] ZINC000192465178 981870879 /nfs/dbraw/zinc/87/08/79/981870879.db2.gz SBYAISVHDGBJHJ-UHFFFAOYSA-N 1 0 359.382 2.896 20 5 FFBDRO Cc1cc(C(=O)N2CC[NH+](CC3CCCCC3)CC2)c(N)c([N+](=O)[O-])c1 ZINC000729525974 982207236 /nfs/dbraw/zinc/20/72/36/982207236.db2.gz RAPHYPLHORGANZ-UHFFFAOYSA-N 1 0 360.458 2.824 20 5 FFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@]1(c2cnn(C)c2)CCCO1 ZINC000898056006 982602449 /nfs/dbraw/zinc/60/24/49/982602449.db2.gz AYUPOFCTDMXEDL-HNAYVOBHSA-N 1 0 358.442 2.945 20 5 FFBDRO C[C@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000912814266 984126268 /nfs/dbraw/zinc/12/62/68/984126268.db2.gz UURMYGPZWQICSI-MLGOLLRUSA-N 1 0 359.430 2.664 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N3CC[C@@H]([NH+]4CCC4)C3)cc2[N+](=O)[O-])CC1 ZINC000912928830 984149656 /nfs/dbraw/zinc/14/96/56/984149656.db2.gz TXNBZNGLUZLFJS-QGZVFWFLSA-N 1 0 372.469 2.751 20 5 FFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([NH2+]Cc2ccc(C3CCC3)cc2)CC1 ZINC000996429719 984353610 /nfs/dbraw/zinc/35/36/10/984353610.db2.gz UOPMETJHGWJKFW-RTBURBONSA-N 1 0 357.454 2.700 20 5 FFBDRO CC[N@H+](CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])CCc1ccccn1 ZINC000764313459 984417174 /nfs/dbraw/zinc/41/71/74/984417174.db2.gz ZIIITLMVJMTJMI-UHFFFAOYSA-N 1 0 372.425 2.892 20 5 FFBDRO Cc1c(CO)cc([N+](=O)[O-])c(NC[C@H]2CCCC[N@@H+]2C2CC2)c1[N+](=O)[O-] ZINC000764941123 984815596 /nfs/dbraw/zinc/81/55/96/984815596.db2.gz MUPWFZSLUGLSFT-CQSZACIVSA-N 1 0 364.402 2.733 20 5 FFBDRO Cc1nn(C[N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000764988768 984903184 /nfs/dbraw/zinc/90/31/84/984903184.db2.gz DIQSVDXAYDZTCW-HNNXBMFYSA-N 1 0 371.441 2.545 20 5 FFBDRO O=[N+]([O-])c1ccc(NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)nc1-c1ccccc1 ZINC000761210201 984905140 /nfs/dbraw/zinc/90/51/40/984905140.db2.gz ILOGBWQOGRVBOV-HOTGVXAUSA-N 1 0 354.410 2.932 20 5 FFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCN1CCc2ccccc21 ZINC000765414925 985077782 /nfs/dbraw/zinc/07/77/82/985077782.db2.gz CIEUZMZGRUTWIO-HNNXBMFYSA-N 1 0 368.437 2.964 20 5 FFBDRO C[C@@H](CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)NC(=O)OC(C)(C)C ZINC000785439481 985490414 /nfs/dbraw/zinc/49/04/14/985490414.db2.gz OOMXHFDTZUWIMT-AWEZNQCLSA-N 1 0 364.446 2.630 20 5 FFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(C[NH2+]Cc2ccc(C3CC3)cc2)CC1 ZINC000997771404 985733231 /nfs/dbraw/zinc/73/32/31/985733231.db2.gz HFFCIAKKTGDHGU-RTBURBONSA-N 1 0 357.454 2.557 20 5 FFBDRO CO[C@@]1(C)C[C@@H]([N@H+](C)Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1(C)C ZINC000173545932 985874885 /nfs/dbraw/zinc/87/48/85/985874885.db2.gz QZTQURRKUFMOHV-QAPCUYQASA-N 1 0 359.430 2.946 20 5 FFBDRO CO[C@]1(C)C[C@H]([N@H+](C)Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1(C)C ZINC000173545916 985874992 /nfs/dbraw/zinc/87/49/92/985874992.db2.gz QZTQURRKUFMOHV-MAUKXSAKSA-N 1 0 359.430 2.946 20 5 FFBDRO CC1([NH+]2CCC2)CCC(NC(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000921681472 986461081 /nfs/dbraw/zinc/46/10/81/986461081.db2.gz XBGYOHWLDWNTCW-UHFFFAOYSA-N 1 0 360.458 2.844 20 5 FFBDRO C[N@@H+]1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@H]1C(C)(C)C ZINC000878840597 1015246322 /nfs/dbraw/zinc/24/63/22/1015246322.db2.gz ORHPJRSNVOOAHL-INIZCTEOSA-N 1 0 366.437 2.725 20 5 FFBDRO Cc1c([N+](=O)[O-])cc(C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)cc1[N+](=O)[O-] ZINC000765943198 987206275 /nfs/dbraw/zinc/20/62/75/987206275.db2.gz HBOFQJAEICZXOR-AWEZNQCLSA-N 1 0 362.386 2.558 20 5 FFBDRO O=C1[C@H]([N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CCN1C1CCOCC1 ZINC000451552143 987441219 /nfs/dbraw/zinc/44/12/19/987441219.db2.gz VSWOYOLTRWQJAF-QFBILLFUSA-N 1 0 373.453 2.554 20 5 FFBDRO CCCn1ccnc1CCC[N@H+](C)Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC000762078274 988106366 /nfs/dbraw/zinc/10/63/66/988106366.db2.gz XGOXSNMYIDMYMP-UHFFFAOYSA-N 1 0 371.445 2.777 20 5 FFBDRO C[C@H]1CN(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)CCN1c1cc[nH+]cc1 ZINC000888278572 988653084 /nfs/dbraw/zinc/65/30/84/988653084.db2.gz YOHZOBNIFLRXGY-LBPRGKRZSA-N 1 0 359.361 2.872 20 5 FFBDRO CCO[C@H]1C[C@@H]([N@H+](C)Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C12CCC2 ZINC000763236635 989248858 /nfs/dbraw/zinc/24/88/58/989248858.db2.gz RMGLPYVMHMUEKB-CVEARBPZSA-N 1 0 359.430 2.885 20 5 FFBDRO Cc1c(C(=O)N2CC[NH2+][C@@H](Cc3ccc(F)cc3)C2)cccc1[N+](=O)[O-] ZINC001168742984 989293311 /nfs/dbraw/zinc/29/33/11/989293311.db2.gz LSPFABWVLIYQHO-INIZCTEOSA-N 1 0 357.385 2.699 20 5 FFBDRO COC(=O)c1cc(NC(=O)C2CC[NH+](C(C)C)CC2)c(C)c([N+](=O)[O-])c1 ZINC001128726576 989702274 /nfs/dbraw/zinc/70/22/74/989702274.db2.gz RNMHYIPFKWPNOI-UHFFFAOYSA-N 1 0 363.414 2.749 20 5 FFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(C[NH+](Cc3ccc(C4CC4)cc3)C2)CC1 ZINC001035704617 990528406 /nfs/dbraw/zinc/52/84/06/990528406.db2.gz URDSGRNTEBJNQE-RTBURBONSA-N 1 0 369.465 2.654 20 5 FFBDRO Cn1cc(C(=O)OCC[NH+]2CCCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000919678288 990707436 /nfs/dbraw/zinc/70/74/36/990707436.db2.gz RSQMOEGTAHKNCT-UHFFFAOYSA-N 1 0 358.398 2.638 20 5 FFBDRO Cn1nnc2c1C[C@H]([NH2+]Cc1ccc(-c3ccc([N+](=O)[O-])cc3)o1)CC2 ZINC000922992240 990783518 /nfs/dbraw/zinc/78/35/18/990783518.db2.gz BFYZMNIGBLWTCI-CYBMUJFWSA-N 1 0 353.382 2.630 20 5 FFBDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000920474230 990861826 /nfs/dbraw/zinc/86/18/26/990861826.db2.gz YRAJXGFZEXUFKJ-MJGOQNOKSA-N 1 0 372.469 2.942 20 5 FFBDRO Cc1ccc(NC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)c(OCC[NH+](C)C)c1 ZINC000826122499 1015666420 /nfs/dbraw/zinc/66/64/20/1015666420.db2.gz ZDINQZCYUWXSDM-SFHVURJKSA-N 1 0 373.409 2.516 20 5 FFBDRO CC[C@@H]([NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)[C@@H]1CCCOC1 ZINC000880468099 1015843444 /nfs/dbraw/zinc/84/34/44/1015843444.db2.gz BSCJHVXKAVNSEZ-UKRRQHHQSA-N 1 0 363.414 2.688 20 5 FFBDRO COc1cc(CN[C@H]2CC[NH2+]C23CCCC3)c([N+](=O)[O-])cc1OC(F)F ZINC000903485125 1015926480 /nfs/dbraw/zinc/92/64/80/1015926480.db2.gz ITEYTSQMDSGMHU-HNNXBMFYSA-N 1 0 371.384 2.969 20 5 FFBDRO O=C(NCc1ccc2c(c1)C[N@@H+](CCCC1CCC1)C2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001054264835 1015996729 /nfs/dbraw/zinc/99/67/29/1015996729.db2.gz SHRBPUXQEHMMQK-RTBURBONSA-N 1 0 357.454 2.864 20 5 FFBDRO Nc1ccc(NC(=O)N2CC[NH+](CC3CCCCC3)CC2)cc1[N+](=O)[O-] ZINC000823998228 996774402 /nfs/dbraw/zinc/77/44/02/996774402.db2.gz LNKOZCBRASVKNE-UHFFFAOYSA-N 1 0 361.446 2.907 20 5 FFBDRO [NH3+][C@H]1CCc2c3ccccc3n(-c3c[n+]([O-])c(Cl)cc3[N+](=O)[O-])c2C1 ZINC001171090835 997413623 /nfs/dbraw/zinc/41/36/23/997413623.db2.gz NPNBLQBSFBGVAF-JTQLQIEISA-N 1 0 358.785 2.642 20 5 FFBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000843871841 997461275 /nfs/dbraw/zinc/46/12/75/997461275.db2.gz SQDKYHIGPHLEMK-UHFFFAOYSA-N 1 0 361.377 2.758 20 5 FFBDRO Cc1c(C(=O)N2CCc3ccccc3[C@@H]2C[NH3+])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000844160963 997704185 /nfs/dbraw/zinc/70/41/85/997704185.db2.gz POUOVXJNNFTNML-KRWDZBQOSA-N 1 0 370.365 2.510 20 5 FFBDRO CC(C)O[C@@H]1CCCN(CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)C1 ZINC000844718455 998091358 /nfs/dbraw/zinc/09/13/58/998091358.db2.gz VKZCVTIXHNOWQQ-OAHLLOKOSA-N 1 0 362.430 2.684 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@H]1COC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000845727350 998639197 /nfs/dbraw/zinc/63/91/97/998639197.db2.gz BJMWGHRZLSVBPG-AWEZNQCLSA-N 1 0 358.398 2.810 20 5 FFBDRO CCc1cccc(C[NH+]2CCC(C3(NC(=O)[C@@H]4C[C@H]4[N+](=O)[O-])CC3)CC2)c1 ZINC001000152233 1016246443 /nfs/dbraw/zinc/24/64/43/1016246443.db2.gz BCVDDTFHZYDRRW-RTBURBONSA-N 1 0 371.481 2.775 20 5 FFBDRO Cn1c2ccccc2nc1CC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000733897443 999126632 /nfs/dbraw/zinc/12/66/32/999126632.db2.gz PSZWGNVPNKRBHG-UHFFFAOYSA-N 1 0 365.437 2.846 20 5 FFBDRO C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CC[N@@H+]1C ZINC000741724495 999739014 /nfs/dbraw/zinc/73/90/14/999739014.db2.gz MRHRSZXEYXGMSZ-HUUCEWRRSA-N 1 0 360.458 2.798 20 5 FFBDRO CC[NH+](CC)CC1CCN(Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)CC1 ZINC000742149179 999761644 /nfs/dbraw/zinc/76/16/44/999761644.db2.gz BWKAYCDLFAZZNT-UHFFFAOYSA-N 1 0 372.473 2.865 20 5 FFBDRO Cc1ccc(N2CCC[C@@H]([NH2+]C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000743463893 999820228 /nfs/dbraw/zinc/82/02/28/999820228.db2.gz YUGJAAOREQJHGE-RTBURBONSA-N 1 0 369.421 2.722 20 5 FFBDRO CCN(Cc1ccc(C)cc1)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000746029778 999941821 /nfs/dbraw/zinc/94/18/21/999941821.db2.gz ZAFNNIIFAVGGLZ-UHFFFAOYSA-N 1 0 353.378 2.979 20 5 FFBDRO Cc1cc(-n2cc3c(n2)CC[C@H]([NH3+])C3)c([N+](=O)[O-])cc1Br ZINC001168816633 999997380 /nfs/dbraw/zinc/99/73/80/999997380.db2.gz DWQVMQGQLXIZAI-JTQLQIEISA-N 1 0 351.204 2.667 20 5 FFBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2ccc(OC3CCOCC3)c(F)c2)C1 ZINC001168984461 1000012370 /nfs/dbraw/zinc/01/23/70/1000012370.db2.gz OGNKLDPONJQQIG-LSDHHAIUSA-N 1 0 352.406 2.919 20 5 FFBDRO CC(C)(C)OC(=O)N1CC[C@]2([NH2+][C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CCC[C@H]12 ZINC001168956167 1000012630 /nfs/dbraw/zinc/01/26/30/1000012630.db2.gz AEODVQLWLNCBTJ-ZXFNITATSA-N 1 0 353.463 2.954 20 5 FFBDRO CC(C)(C)OC(=O)N1C[C@H]2[C@H](CC[C@@H]2[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168965091 1000013317 /nfs/dbraw/zinc/01/33/17/1000013317.db2.gz XZFGLOCNLZTEEX-OWYFMNJBSA-N 1 0 353.463 2.667 20 5 FFBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(I)c2)C1 ZINC001168969338 1000013520 /nfs/dbraw/zinc/01/35/20/1000013520.db2.gz DCRYTNFJFANQAP-DGCLKSJQSA-N 1 0 360.195 2.826 20 5 FFBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(I)cc2)C1 ZINC001168975204 1000013770 /nfs/dbraw/zinc/01/37/70/1000013770.db2.gz URHOFEZPPMHIGH-DGCLKSJQSA-N 1 0 360.195 2.826 20 5 FFBDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)C2(CC2)C1 ZINC001169004953 1000015070 /nfs/dbraw/zinc/01/50/70/1000015070.db2.gz SQNOIKUGMKBTQK-ILXRZTDVSA-N 1 0 353.463 2.811 20 5 FFBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCN(c3ncccc3C(F)(F)F)CC2)C1 ZINC001169006820 1000015117 /nfs/dbraw/zinc/01/51/17/1000015117.db2.gz JKPOIRUHFQWICT-OLZOCXBDSA-N 1 0 358.364 2.668 20 5 FFBDRO CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@@H+]2[C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169013962 1000015613 /nfs/dbraw/zinc/01/56/13/1000015613.db2.gz WYQQLNSUPPUZPK-DAYGRLMNSA-N 1 0 353.463 2.907 20 5 FFBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2I)C1 ZINC001168988153 1000015813 /nfs/dbraw/zinc/01/58/13/1000015813.db2.gz OMJFQCFGGWIAHG-ZYHUDNBSSA-N 1 0 360.195 2.826 20 5 FFBDRO [NH3+]CCCCN=c1ccc(Br)cn1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168988436 1000015920 /nfs/dbraw/zinc/01/59/20/1000015920.db2.gz SFVRYCZTISZHEE-OCCSQVGLSA-N 1 0 371.279 2.508 20 5 FFBDRO Cc1cc(N2CC[NH+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)n(-c2ccccc2)n1 ZINC001169038889 1000017007 /nfs/dbraw/zinc/01/70/07/1000017007.db2.gz LDMRZRZCQYGNNW-PKOBYXMFSA-N 1 0 369.469 2.748 20 5 FFBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CC[C@H](OCC3CC3)[C@@H]2Cc2cccnc2)C1 ZINC001169019040 1000017524 /nfs/dbraw/zinc/01/75/24/1000017524.db2.gz GKQHJOXLLLWKBB-ZRNYENFQSA-N 1 0 359.470 2.939 20 5 FFBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@]3(C[C@H](Oc4cccnc4)CO3)C2)C1 ZINC001169026221 1000018113 /nfs/dbraw/zinc/01/81/13/1000018113.db2.gz VYDZSLOGBDCAFH-ZAWLATJESA-N 1 0 361.442 2.529 20 5 FFBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2CCO[C@H]3[C@H](OCC4CCCC4)CC[C@@H]32)C1 ZINC001169025133 1000018297 /nfs/dbraw/zinc/01/82/97/1000018297.db2.gz XUGAKPVNMMPPLI-LTFXXXRZSA-N 1 0 352.475 2.870 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])c(Cl)cc1-n1ncc2c1cccc2C[NH3+] ZINC001169195980 1000030249 /nfs/dbraw/zinc/03/02/49/1000030249.db2.gz XDXBWVIORMOIFD-UHFFFAOYSA-N 1 0 360.757 2.832 20 5 FFBDRO CCOC(=O)C1(CNc2ccc([N+](=O)[O-])c(OCC[NH+](C)C)c2)CCC1 ZINC001169561478 1000058790 /nfs/dbraw/zinc/05/87/90/1000058790.db2.gz QUYQOHSOPDTMSP-UHFFFAOYSA-N 1 0 365.430 2.681 20 5 FFBDRO C[NH+](C)CCOc1cc(N[C@@H]2CCc3ccccc3[C@H]2O)ccc1[N+](=O)[O-] ZINC001169625931 1000063690 /nfs/dbraw/zinc/06/36/90/1000063690.db2.gz DOLYQPSIDNKKHU-YLJYHZDGSA-N 1 0 371.437 2.996 20 5 FFBDRO COc1ccc2c(c1)NC(=O)C[C@@H]2CNc1cc2c(cc1[N+](=O)[O-])C[NH2+]C2 ZINC001169922503 1000088263 /nfs/dbraw/zinc/08/82/63/1000088263.db2.gz OMELCGAUZMSTFT-CYBMUJFWSA-N 1 0 368.393 2.745 20 5 FFBDRO CN1CC[N@H+](CCCNc2ccc(N)cc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000804345046 1000093626 /nfs/dbraw/zinc/09/36/26/1000093626.db2.gz SVWXXVDMRSUWIS-FQEVSTJZSA-N 1 0 369.469 2.968 20 5 FFBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(-n3cncn3)nc2)cc1[N+](=O)[O-] ZINC000768091855 1000178685 /nfs/dbraw/zinc/17/86/85/1000178685.db2.gz BODKHTKTMXBCCV-CYBMUJFWSA-N 1 0 368.397 2.820 20 5 FFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]Cc1cccc2c1OCCO2 ZINC000772982511 1000909336 /nfs/dbraw/zinc/90/93/36/1000909336.db2.gz JIDYXBADGIYBMV-CYBMUJFWSA-N 1 0 371.393 2.873 20 5 FFBDRO Cc1cc(C(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)c(N)c([N+](=O)[O-])c1 ZINC000771598405 1001154873 /nfs/dbraw/zinc/15/48/73/1001154873.db2.gz XSDLIICZCRORQV-SCLBCKFNSA-N 1 0 356.426 2.907 20 5 FFBDRO O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1N1CCC([NH+]2CCCCC2)CC1 ZINC000785754960 1001479555 /nfs/dbraw/zinc/47/95/55/1001479555.db2.gz PSHFXPMGXWJECS-UHFFFAOYSA-N 1 0 372.469 2.942 20 5 FFBDRO CN(CC[NH+]1CCN(c2ccccc2)CC1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000788479766 1001811615 /nfs/dbraw/zinc/81/16/15/1001811615.db2.gz BQQGWPNZCLJYQH-UHFFFAOYSA-N 1 0 372.444 2.988 20 5 FFBDRO CCNC(=O)C[C@@H]1CCCC[N@@H+]1Cn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000789517247 1002119861 /nfs/dbraw/zinc/11/98/61/1002119861.db2.gz ASLMDEYFUQKYAK-AWEZNQCLSA-N 1 0 359.430 2.591 20 5 FFBDRO COCC[N@H+](Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1)[C@@H]1CC[C@H](C)C1 ZINC000790477746 1002387813 /nfs/dbraw/zinc/38/78/13/1002387813.db2.gz JHWAFSBIOYLKEK-GOEBONIOSA-N 1 0 359.430 2.948 20 5 FFBDRO Cc1cccc(NCC[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000773041973 1002402452 /nfs/dbraw/zinc/40/24/52/1002402452.db2.gz JQBPJXKSXBSTKB-UHFFFAOYSA-N 1 0 355.442 2.969 20 5 FFBDRO COc1ccccc1N1CC[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)C1=O ZINC000790544399 1002420968 /nfs/dbraw/zinc/42/09/68/1002420968.db2.gz XFMKASZTBLNPJX-OAHLLOKOSA-N 1 0 355.394 2.807 20 5 FFBDRO O=C(OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000792235303 1002950444 /nfs/dbraw/zinc/95/04/44/1002950444.db2.gz QEBPUZAXFHLAFG-OAHLLOKOSA-N 1 0 363.370 2.953 20 5 FFBDRO C[NH+]1CC(CNc2cc([N+](=O)[O-])cc3cc(Br)cnc32)C1 ZINC001170256366 1003077743 /nfs/dbraw/zinc/07/77/43/1003077743.db2.gz IKQPBLDNRPUMBS-UHFFFAOYSA-N 1 0 351.204 2.879 20 5 FFBDRO COc1cccc([C@H](CO)[NH2+][C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])c1 ZINC001170305581 1003095184 /nfs/dbraw/zinc/09/51/84/1003095184.db2.gz NKMTVICEEKFQHI-ACJLOTCBSA-N 1 0 360.410 2.866 20 5 FFBDRO COc1ccc(C[C@H](CO)[NH2+][C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC001170313980 1003104060 /nfs/dbraw/zinc/10/40/60/1003104060.db2.gz SKAJVSTWPWTDMV-RHSMWYFYSA-N 1 0 374.437 2.736 20 5 FFBDRO COc1ccc(C[C@H](C)[NH2+][C@@H](CO)Cc2cccc(F)c2)c([N+](=O)[O-])c1 ZINC001170313398 1003104260 /nfs/dbraw/zinc/10/42/60/1003104260.db2.gz MDRYGZSGNSXJAR-SUMWQHHRSA-N 1 0 362.401 2.867 20 5 FFBDRO COC(=O)C[C@H]([NH2+][C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])c1cccnc1 ZINC001170313302 1003104702 /nfs/dbraw/zinc/10/47/02/1003104702.db2.gz KUPLQDBCZBDXTQ-DYVFJYSZSA-N 1 0 373.409 2.823 20 5 FFBDRO COC(=O)C[C@@H]([NH2+][C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])c1cccnc1 ZINC001170313304 1003104908 /nfs/dbraw/zinc/10/49/08/1003104908.db2.gz KUPLQDBCZBDXTQ-SUMWQHHRSA-N 1 0 373.409 2.823 20 5 FFBDRO COc1ccc(C[C@H](C)[NH2+]C[C@@H](CO)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC001170313287 1003104939 /nfs/dbraw/zinc/10/49/39/1003104939.db2.gz KOOOKCPTABINRW-RDJZCZTQSA-N 1 0 358.438 2.975 20 5 FFBDRO COc1ccc(C[C@@H](C)[NH2+][C@@H]2CCN(C(=O)C(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC001170319193 1003107797 /nfs/dbraw/zinc/10/77/97/1003107797.db2.gz UTCVTIYPWUNIDL-UKRRQHHQSA-N 1 0 363.458 2.771 20 5 FFBDRO CCc1nnc2ccc(C[NH2+][C@@H](C)Cc3ccc(OC)cc3[N+](=O)[O-])cn21 ZINC001170324110 1003111468 /nfs/dbraw/zinc/11/14/68/1003111468.db2.gz OFTZMTRVEKABRC-ZDUSSCGKSA-N 1 0 369.425 2.929 20 5 FFBDRO COc1ccc(C[C@H](C)[NH2+][C@@H]2CCN(c3ccccn3)C2)c([N+](=O)[O-])c1 ZINC001170322939 1003112082 /nfs/dbraw/zinc/11/20/82/1003112082.db2.gz JCJGSNXRNQKGNW-GOEBONIOSA-N 1 0 356.426 2.798 20 5 FFBDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170329874 1003116116 /nfs/dbraw/zinc/11/61/16/1003116116.db2.gz WGVXCQDYXHLOQT-YUELXQCFSA-N 1 0 350.415 2.856 20 5 FFBDRO COc1ccc(C[C@@H](C)[NH2+]C2CCC3(CCC(=O)N3)CC2)c([N+](=O)[O-])c1 ZINC001170306506 1003119466 /nfs/dbraw/zinc/11/94/66/1003119466.db2.gz WNYDWEXJJLTZMW-VZDIAYEVSA-N 1 0 361.442 2.715 20 5 FFBDRO COc1ccc(C[C@@H](C)[N@@H+]2CC[C@@H](Oc3ncc(C)cn3)C2)c([N+](=O)[O-])c1 ZINC001170355634 1003122822 /nfs/dbraw/zinc/12/28/22/1003122822.db2.gz NGOOEWSNYDSDCH-RHSMWYFYSA-N 1 0 372.425 2.786 20 5 FFBDRO COc1ccc(C[C@@H](C)N(c2cc(C)ncn2)[C@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001170355021 1003123122 /nfs/dbraw/zinc/12/31/22/1003123122.db2.gz USBYSNGRKLLIPS-ZBFHGGJFSA-N 1 0 371.441 2.501 20 5 FFBDRO CCO[C@@H]1C[N@H+]([C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])[C@@H]2CCCO[C@H]12 ZINC001170341390 1003130294 /nfs/dbraw/zinc/13/02/94/1003130294.db2.gz QBWZUVHJNCIYOX-AZFSHXRASA-N 1 0 364.442 2.803 20 5 FFBDRO COC(=O)[C@H]1CC[C@@H](C)[N@@H+]([C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170348020 1003133989 /nfs/dbraw/zinc/13/39/89/1003133989.db2.gz UUYHXSMASAVHFH-IPYPFGDCSA-N 1 0 350.415 2.808 20 5 FFBDRO COc1ccc(C[C@@H](C)[N@@H+]2C[C@@H]3COC[C@H](C2)C3(F)F)c([N+](=O)[O-])c1 ZINC001170351013 1003134901 /nfs/dbraw/zinc/13/49/01/1003134901.db2.gz DGKDJKJBHOKBIN-BNOWGMLFSA-N 1 0 356.369 2.748 20 5 FFBDRO COc1ccc(C[C@@H](C)[NH+]2CCC(N3CCCC3=O)CC2)c([N+](=O)[O-])c1 ZINC001170351779 1003137372 /nfs/dbraw/zinc/13/73/72/1003137372.db2.gz IQKWZVVFHHBATJ-CQSZACIVSA-N 1 0 361.442 2.621 20 5 FFBDRO CO[C@@]1(C)C[C@H]([NH2+]CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1(C)C ZINC001170385907 1003138387 /nfs/dbraw/zinc/13/83/87/1003138387.db2.gz KHWIETOWUGQMPI-BBRMVZONSA-N 1 0 355.822 2.980 20 5 FFBDRO CCOC(=O)[C@H](Cc1ccc(F)cc1)Nc1cc2c(cc1[N+](=O)[O-])C[NH2+]C2 ZINC001170402142 1003145825 /nfs/dbraw/zinc/14/58/25/1003145825.db2.gz CRIUGEWBVJWTKQ-KRWDZBQOSA-N 1 0 373.384 2.923 20 5 FFBDRO O=C(NCC1CC[NH+](Cc2ccc(C(F)F)cc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001001398426 1016781307 /nfs/dbraw/zinc/78/13/07/1016781307.db2.gz DUUZSWFAFLBUMP-HZPDHXFCSA-N 1 0 367.396 2.618 20 5 FFBDRO Cc1ccccc1CN1CCO[C@@H](c2noc(CCC(C)(C)[N+](=O)[O-])n2)C1 ZINC000867181703 1003827126 /nfs/dbraw/zinc/82/71/26/1003827126.db2.gz NNUYIKYBBXLXKV-MRXNPFEDSA-N 1 0 374.441 2.939 20 5 FFBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)CCC[N@H+](C)Cc1ccco1 ZINC000804841081 1003874904 /nfs/dbraw/zinc/87/49/04/1003874904.db2.gz PPTVPUBGLNOINA-UHFFFAOYSA-N 1 0 360.414 2.506 20 5 FFBDRO C[C@]12CN(CCn3ccc([N+](=O)[O-])n3)C[C@]1(C)C[NH+](Cc1ccccc1)C2 ZINC001196962962 1004025661 /nfs/dbraw/zinc/02/56/61/1004025661.db2.gz WCDNDQWHMAMDPH-WOJBJXKFSA-N 1 0 369.469 2.635 20 5 FFBDRO C[C@@]12CN(CCn3ccc([N+](=O)[O-])n3)C[C@@]1(C)C[NH+](Cc1ccccc1)C2 ZINC001196962961 1004026034 /nfs/dbraw/zinc/02/60/34/1004026034.db2.gz WCDNDQWHMAMDPH-PMACEKPBSA-N 1 0 369.469 2.635 20 5 FFBDRO Cn1cc([C@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c2ccc(F)cc2)cn1 ZINC000775753982 1004027042 /nfs/dbraw/zinc/02/70/42/1004027042.db2.gz ZOGPIZWTEULGEE-RTBURBONSA-N 1 0 370.384 2.880 20 5 FFBDRO CCCNC(=O)OC[C@@H]1CCCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000805777057 1004129157 /nfs/dbraw/zinc/12/91/57/1004129157.db2.gz YQGLURAAPUWPQQ-IRXDYDNUSA-N 1 0 365.430 2.619 20 5 FFBDRO COc1cc2c(cc1OC)[C@H](C1CC1)N(Cc1cn(C)nc1[N+](=O)[O-])CC2 ZINC001197701931 1004328800 /nfs/dbraw/zinc/32/88/00/1004328800.db2.gz QCIXTIJILWBXCV-SFHVURJKSA-N 1 0 372.425 2.855 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@]1(C)C[NH+]2CCC1CC2 ZINC001130798607 1004478043 /nfs/dbraw/zinc/47/80/43/1004478043.db2.gz HOYHPPQLZSLMNC-DIFFPNOSSA-N 1 0 367.833 2.616 20 5 FFBDRO CC(=O)c1ccc([N+](=O)[O-])cc1NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000807923960 1004720811 /nfs/dbraw/zinc/72/08/11/1004720811.db2.gz UYODCRWFPIAKBQ-UHFFFAOYSA-N 1 0 369.425 2.556 20 5 FFBDRO CCN(Cc1cn(C)nc1[N+](=O)[O-])[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001198862810 1004758248 /nfs/dbraw/zinc/75/82/48/1004758248.db2.gz LSNHTYNCAZNFSS-CQSZACIVSA-N 1 0 367.450 2.550 20 5 FFBDRO CC[C@H]1[C@H](CO)CC[N@@H+]1Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001194731785 1004795746 /nfs/dbraw/zinc/79/57/46/1004795746.db2.gz GBLJOGATABMJPT-GWCFXTLKSA-N 1 0 366.805 2.891 20 5 FFBDRO COc1cc(C[NH2+]CCCN2CCc3ccccc32)c([N+](=O)[O-])cc1O ZINC001199110434 1004844396 /nfs/dbraw/zinc/84/43/96/1004844396.db2.gz NEGNYLSAWHDMSY-UHFFFAOYSA-N 1 0 357.410 2.851 20 5 FFBDRO COc1cccc([C@@H]2CN(C[C@@H](O)c3ccc([N+](=O)[O-])cc3)CCO2)c1 ZINC000776586204 1005972105 /nfs/dbraw/zinc/97/21/05/1005972105.db2.gz KPXASTQDKDNMCR-MOPGFXCFSA-N 1 0 358.394 2.710 20 5 FFBDRO COc1cc(N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)c([N+](=O)[O-])cc1OC ZINC001187593674 1006148619 /nfs/dbraw/zinc/14/86/19/1006148619.db2.gz NNNVXHCWWTWFTK-BXUZGUMPSA-N 1 0 353.444 2.604 20 5 FFBDRO CCC1([NH+]2CCCCC2)CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000881627033 1006159369 /nfs/dbraw/zinc/15/93/69/1006159369.db2.gz TVVIORUVIFWCKV-UHFFFAOYSA-N 1 0 362.430 2.566 20 5 FFBDRO [NH3+]C[C@H]1CCc2ccccc2N1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000852755802 1006169141 /nfs/dbraw/zinc/16/91/41/1006169141.db2.gz FUGBAPXDSGGCOX-OAHLLOKOSA-N 1 0 372.400 2.843 20 5 FFBDRO CC1(C)CCC(C[NH+]2CCC3(CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)CC2)CC1 ZINC001050517398 1017035318 /nfs/dbraw/zinc/03/53/18/1017035318.db2.gz RSGZIBVCEWGJMX-IAGOWNOFSA-N 1 0 363.502 2.792 20 5 FFBDRO CC(=O)c1c(NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000882171850 1006311050 /nfs/dbraw/zinc/31/10/50/1006311050.db2.gz MBMQHHCYZVNCJE-QGZVFWFLSA-N 1 0 369.421 2.976 20 5 FFBDRO CC(C)c1cc(C(=O)Nc2cc(N3CC[NH+](C)CC3)ccc2[N+](=O)[O-])no1 ZINC001134416679 1006321341 /nfs/dbraw/zinc/32/13/41/1006321341.db2.gz ZRYPHEBXNLPSSH-UHFFFAOYSA-N 1 0 373.413 2.710 20 5 FFBDRO CCC(C)(C)[NH+]1CCN(Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)CC1 ZINC000853519936 1006424255 /nfs/dbraw/zinc/42/42/55/1006424255.db2.gz VHKCGTQHARLZDT-UHFFFAOYSA-N 1 0 358.446 2.617 20 5 FFBDRO C[C@@H]1CC2(C[N@@H+]1Cn1cc([N+](=O)[O-])c(-c3ccccn3)n1)CCOCC2 ZINC000853518566 1006425465 /nfs/dbraw/zinc/42/54/65/1006425465.db2.gz KBGWKHRSXUCRTH-CQSZACIVSA-N 1 0 357.414 2.702 20 5 FFBDRO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000814909252 1006463412 /nfs/dbraw/zinc/46/34/12/1006463412.db2.gz JIYFWEKAHGCOFO-SFHVURJKSA-N 1 0 365.405 2.833 20 5 FFBDRO O=[N+]([O-])c1cnc(N2CCC[C@H]([NH2+]C3CCOCC3)C2)c(C(F)(F)F)c1 ZINC000882726699 1006490093 /nfs/dbraw/zinc/49/00/93/1006490093.db2.gz ACQLUUJJJNGYRO-LBPRGKRZSA-N 1 0 374.363 2.746 20 5 FFBDRO CCC(=O)c1ccc(N2CCC(CO)([NH2+]CC3CC3)CC2)c([N+](=O)[O-])c1 ZINC000853677848 1006502141 /nfs/dbraw/zinc/50/21/41/1006502141.db2.gz WCIJJSZLLHZMEO-UHFFFAOYSA-N 1 0 361.442 2.518 20 5 FFBDRO C[C@H]([NH2+][C@@H]1CCN(c2ccccc2F)C1=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815592446 1006700940 /nfs/dbraw/zinc/70/09/40/1006700940.db2.gz IZANBVZSIHPXHM-XHDPSFHLSA-N 1 0 358.373 2.772 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N2CCN(c3cc[nH+]cc3)CC2)c1F ZINC000854291877 1006759848 /nfs/dbraw/zinc/75/98/48/1006759848.db2.gz QCKAWANUMCZNJK-UHFFFAOYSA-N 1 0 362.336 2.539 20 5 FFBDRO C[C@H](NC(=O)N1CCN(c2cc[nH+]cc2)[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000883553387 1006860169 /nfs/dbraw/zinc/86/01/69/1006860169.db2.gz RNIUMBTVSIPCST-GJZGRUSLSA-N 1 0 369.425 2.971 20 5 FFBDRO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NCCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001137204355 1007303551 /nfs/dbraw/zinc/30/35/51/1007303551.db2.gz DALGMRAQLFJWGT-KBPBESRZSA-N 1 0 367.421 2.662 20 5 FFBDRO C[NH2+]CCOc1cccc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000884307118 1007365179 /nfs/dbraw/zinc/36/51/79/1007365179.db2.gz ZAYCNNKDBFYQFX-UHFFFAOYSA-N 1 0 369.421 2.998 20 5 FFBDRO CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)c1cc(F)cc2c1[nH]c1ccc(F)cc1c2=O ZINC000884360980 1007393808 /nfs/dbraw/zinc/39/38/08/1007393808.db2.gz JTNMPJQWXGFLIZ-HZPDHXFCSA-N 1 0 371.387 2.815 20 5 FFBDRO CN1CC[NH+](C2CCN(c3cccc(C(F)(F)F)c3[N+](=O)[O-])CC2)CC1 ZINC000884574107 1007481322 /nfs/dbraw/zinc/48/13/22/1007481322.db2.gz BASVZDPGASXASH-UHFFFAOYSA-N 1 0 372.391 2.830 20 5 FFBDRO CCC1([NH+]2CCC2)CCN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CC1 ZINC000884718796 1007518326 /nfs/dbraw/zinc/51/83/26/1007518326.db2.gz PWVUGWFABIACPW-UHFFFAOYSA-N 1 0 372.469 2.942 20 5 FFBDRO C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000855735356 1007532045 /nfs/dbraw/zinc/53/20/45/1007532045.db2.gz SACJVNILNLWOGC-QGZVFWFLSA-N 1 0 368.437 2.566 20 5 FFBDRO C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C[C@@H]1C[NH3+] ZINC000818008815 1007850984 /nfs/dbraw/zinc/85/09/84/1007850984.db2.gz JDPHDSKVWXKPBS-GJZGRUSLSA-N 1 0 360.458 2.642 20 5 FFBDRO O=C1CCCN1Cc1ccccc1C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000818947281 1007989629 /nfs/dbraw/zinc/98/96/29/1007989629.db2.gz BAGFOSOULCLZQW-LJQANCHMSA-N 1 0 369.421 2.540 20 5 FFBDRO COc1ccccc1N1CC[C@@H](C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000818988594 1008002089 /nfs/dbraw/zinc/00/20/89/1008002089.db2.gz CGDILBYOZUDGQM-HNAYVOBHSA-N 1 0 371.437 2.753 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@H]2CCCN2Cc2ccccc2)c1 ZINC000819073674 1008037414 /nfs/dbraw/zinc/03/74/14/1008037414.db2.gz WXJOBGJFJNOLAA-WOJBJXKFSA-N 1 0 355.438 2.882 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2CCN(c3c(F)cccc3F)C2)c1 ZINC000819146269 1008043092 /nfs/dbraw/zinc/04/30/92/1008043092.db2.gz GCLJKXDPCXIJQS-CXAGYDPISA-N 1 0 363.364 2.775 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCOc2cccc(C(F)(F)F)n2)cc1 ZINC000819189359 1008062030 /nfs/dbraw/zinc/06/20/30/1008062030.db2.gz AZDGGCMEDZXCDN-CYBMUJFWSA-N 1 0 371.315 2.711 20 5 FFBDRO C[NH+](C)[C@H]1CCc2ccccc2N(C(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000857930796 1008250061 /nfs/dbraw/zinc/25/00/61/1008250061.db2.gz IBEHBJVQBBVYPJ-INIZCTEOSA-N 1 0 369.421 2.883 20 5 FFBDRO Cc1ccc(O[C@@H]2CCN(Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)nc1 ZINC000858040487 1008286058 /nfs/dbraw/zinc/28/60/58/1008286058.db2.gz OMBPELVIQATLKG-CQSZACIVSA-N 1 0 353.382 2.828 20 5 FFBDRO Cc1ccc(O[C@@H]2CC[N@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2)nc1 ZINC000858040064 1008286565 /nfs/dbraw/zinc/28/65/65/1008286565.db2.gz BNWDDVQOAQCFAJ-QGZVFWFLSA-N 1 0 370.409 2.780 20 5 FFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCCN(Cc3ccc(F)cc3)CC2)c1 ZINC000136897695 1008554230 /nfs/dbraw/zinc/55/42/30/1008554230.db2.gz IDYSAGGAMNNLCZ-FQEVSTJZSA-N 1 0 373.428 2.975 20 5 FFBDRO COc1cc(C[N@H+](C)C[C@](C)(O)c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000822516631 1008665462 /nfs/dbraw/zinc/66/54/62/1008665462.db2.gz OMEBLDOKHKZPJE-IBGZPJMESA-N 1 0 360.410 2.952 20 5 FFBDRO O=C(NC1CC[NH+](Cc2ccncc2)CC1)c1cc([N+](=O)[O-])ccc1F ZINC000822624038 1008701647 /nfs/dbraw/zinc/70/16/47/1008701647.db2.gz IFTHWKBTZJIYJY-UHFFFAOYSA-N 1 0 358.373 2.523 20 5 FFBDRO Cc1[nH]c(C2CCN(CC(=O)N(C)c3ccc([N+](=O)[O-])cc3)CC2)[nH+]c1C ZINC000886664533 1008801808 /nfs/dbraw/zinc/80/18/08/1008801808.db2.gz PDLIESOFBXXGHW-UHFFFAOYSA-N 1 0 371.441 2.777 20 5 FFBDRO C[C@H](NC(=O)Nc1ccc(N)c([N+](=O)[O-])c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000823967622 1009284213 /nfs/dbraw/zinc/28/42/13/1009284213.db2.gz FZWBNGGCQGGMGU-STQMWFEESA-N 1 0 361.446 2.952 20 5 FFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccnc(-n2cncn2)c1 ZINC001179347923 1009312598 /nfs/dbraw/zinc/31/25/98/1009312598.db2.gz JHJOBDBJCAEUGU-AUWJEWJLSA-N 1 0 350.382 2.764 20 5 FFBDRO COc1c(O)ccc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)c1[N+](=O)[O-] ZINC001180112362 1009568718 /nfs/dbraw/zinc/56/87/18/1009568718.db2.gz IQWGUVRYGWVMNJ-DZGCQCFKSA-N 1 0 362.382 2.990 20 5 FFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000118866636 1009788910 /nfs/dbraw/zinc/78/89/10/1009788910.db2.gz MBNHMAVEZHPEGF-AWEZNQCLSA-N 1 0 357.370 2.627 20 5 FFBDRO CC(C)[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H](O)c1ccccc1 ZINC000794601882 1010434759 /nfs/dbraw/zinc/43/47/59/1010434759.db2.gz GISJTUXWMSBBIH-VDGAXYAQSA-N 1 0 374.437 2.682 20 5 FFBDRO O=c1oc2cccc([N+](=O)[O-])c2n1CN(C[C@H]1CCCO1)C1CCCC1 ZINC000794633979 1010448078 /nfs/dbraw/zinc/44/80/78/1010448078.db2.gz QBJQOWSTWBRBOP-CQSZACIVSA-N 1 0 361.398 2.884 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(-n3ccnc3)nc2)n1 ZINC000774113978 1010478128 /nfs/dbraw/zinc/47/81/28/1010478128.db2.gz FBTQXLPDSQDUTA-HZPDHXFCSA-N 1 0 367.413 2.646 20 5 FFBDRO C[NH+](C)[C@H](CNC(=O)Cc1cccc(F)c1[N+](=O)[O-])c1ccc(F)cc1 ZINC000864942630 1010646004 /nfs/dbraw/zinc/64/60/04/1010646004.db2.gz VOLIMPQDVLKJSL-MRXNPFEDSA-N 1 0 363.364 2.835 20 5 FFBDRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000865084502 1010707875 /nfs/dbraw/zinc/70/78/75/1010707875.db2.gz CAWBXBVYHBXFGM-UHFFFAOYSA-N 1 0 359.401 2.997 20 5 FFBDRO O=[N+]([O-])c1cc(CO)c(NCC2CCN(c3cc[nH+]cc3)CC2)cc1F ZINC000865656167 1010836967 /nfs/dbraw/zinc/83/69/67/1010836967.db2.gz MAVQUDJMYKCYIN-UHFFFAOYSA-N 1 0 360.389 2.950 20 5 FFBDRO C[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)CC1(C)OCCO1 ZINC000865674429 1010839159 /nfs/dbraw/zinc/83/91/59/1010839159.db2.gz MJBIXBDRMRUCQV-AWEZNQCLSA-N 1 0 374.441 2.874 20 5 FFBDRO COCCN(CC1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])c2cnccc21 ZINC000865996988 1010903529 /nfs/dbraw/zinc/90/35/29/1010903529.db2.gz SWGVGVVZTPBECK-UHFFFAOYSA-N 1 0 358.442 2.938 20 5 FFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CCO[C@H](c2nccn2C)C1 ZINC000866368455 1010984538 /nfs/dbraw/zinc/98/45/38/1010984538.db2.gz CIIOEVPVPRYGRZ-VMGRFDJRSA-N 1 0 362.405 2.908 20 5 FFBDRO C[N@@H+]1CC[C@H](NC(=O)Cc2cccc(F)c2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000867031702 1011926021 /nfs/dbraw/zinc/92/60/21/1011926021.db2.gz VRPFWCVPEUYINF-LPHOPBHVSA-N 1 0 357.385 2.838 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CCN(c3ccncn3)C1)CC2 ZINC001172906926 1012076448 /nfs/dbraw/zinc/07/64/48/1012076448.db2.gz ZARFQUKOBIAOLT-IAGOWNOFSA-N 1 0 353.426 2.501 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH2+]C[C@@H](O)c3ccco3)CC2)c(F)c1 ZINC001173006317 1012174748 /nfs/dbraw/zinc/17/47/48/1012174748.db2.gz PZZCYRJMKXROFS-OAHLLOKOSA-N 1 0 367.352 2.758 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(N2CCC([N@@H+]3CC[C@@]4(CCOC4)C3)CC2)c(F)c1 ZINC001173009902 1012179786 /nfs/dbraw/zinc/17/97/86/1012179786.db2.gz JHIPLPXFIUDFBF-GOSISDBHSA-N 1 0 367.396 2.954 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CCC(=O)OC(C)(C)C)c1F ZINC001173176487 1012319183 /nfs/dbraw/zinc/31/91/83/1012319183.db2.gz JOBXMBXENCMEGV-NSHDSACASA-N 1 0 356.394 2.995 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C2CN(c3ccccn3)C2)c1F ZINC001173181718 1012324774 /nfs/dbraw/zinc/32/47/74/1012324774.db2.gz PUWSEOALIFLBEB-GFCCVEGCSA-N 1 0 360.389 2.547 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)n2c(C)nc3c2CC[NH2+]CC3)c1F ZINC001173183059 1012325723 /nfs/dbraw/zinc/32/57/23/1012325723.db2.gz VYWFIZUYQODQNR-NSHDSACASA-N 1 0 362.405 2.739 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C2(CO)CCSCC2)c1F ZINC001173183548 1012325836 /nfs/dbraw/zinc/32/58/36/1012325836.db2.gz MKMNMNLLZAZFAU-LLVKDONJSA-N 1 0 358.435 2.521 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CC[NH+](CC(C)C)CC2)c1F ZINC001173183584 1012326499 /nfs/dbraw/zinc/32/64/99/1012326499.db2.gz ADZQHFWDJNCYIK-CQSZACIVSA-N 1 0 353.438 2.947 20 5 FFBDRO CC[C@H]1CN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC[C@H]1[NH3+] ZINC000647004077 1012329447 /nfs/dbraw/zinc/32/94/47/1012329447.db2.gz GDMRSFVWNDFOHR-MAUKXSAKSA-N 1 0 363.461 2.741 20 5 FFBDRO COC(=O)[C@@H]1CCC[N@@H+]([C@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])CC1 ZINC001173191998 1012336175 /nfs/dbraw/zinc/33/61/75/1012336175.db2.gz HELPPXYIOMMGFX-CHWSQXEVSA-N 1 0 368.405 2.949 20 5 FFBDRO COC(=O)C[C@@H]1CCC[N@@H+]1[C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173196556 1012341473 /nfs/dbraw/zinc/34/14/73/1012341473.db2.gz NOQGTXRDUVVQTC-RYUDHWBXSA-N 1 0 354.378 2.701 20 5 FFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCc1ccc(S(C)(=O)=O)cc1 ZINC001173215361 1012347838 /nfs/dbraw/zinc/34/78/38/1012347838.db2.gz VKVWPQAUYJFRKF-AWEZNQCLSA-N 1 0 362.451 2.762 20 5 FFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC1CCN(c2ccncn2)CC1 ZINC001173220495 1012351139 /nfs/dbraw/zinc/35/11/39/1012351139.db2.gz FMAZRPNTRJEFMS-HNNXBMFYSA-N 1 0 355.442 2.822 20 5 FFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](CO)Cc1ccc(F)cc1F ZINC001173224432 1012358250 /nfs/dbraw/zinc/35/82/50/1012358250.db2.gz FSOITVJEGFNZGR-WBMJQRKESA-N 1 0 350.365 2.997 20 5 FFBDRO CCOC[C@@H]1Cn2nccc2C[N@@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173227426 1012359852 /nfs/dbraw/zinc/35/98/52/1012359852.db2.gz OGWJQOHYLNGZKW-RDJZCZTQSA-N 1 0 358.442 2.891 20 5 FFBDRO Cc1cc(N2CCC([NH2+][C@H](C)Cc3ccc([N+](=O)[O-])cc3)CC2)ncn1 ZINC001173226877 1012361869 /nfs/dbraw/zinc/36/18/69/1012361869.db2.gz CPCAQVUCOYZDFQ-OAHLLOKOSA-N 1 0 355.442 2.883 20 5 FFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCN(CCc2ccccn2)CC1 ZINC001173228349 1012364467 /nfs/dbraw/zinc/36/44/67/1012364467.db2.gz VBZUNBVJCRLYIR-KRWDZBQOSA-N 1 0 354.454 2.781 20 5 FFBDRO CC(C)([NH2+]C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)C1CC1 ZINC001173689303 1012901823 /nfs/dbraw/zinc/90/18/23/1012901823.db2.gz CRIJNWPJZKOBDU-UHFFFAOYSA-N 1 0 367.471 2.526 20 5 FFBDRO C[C@@H]1CCCC[N@@H+]1C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001173697731 1012902821 /nfs/dbraw/zinc/90/28/21/1012902821.db2.gz WHOSVEOZSWQMDW-CQSZACIVSA-N 1 0 367.471 2.622 20 5 FFBDRO O=[N+]([O-])c1ccccc1C[C@H](N[C@H]1C[NH2+]CC2(CCOCC2)C1)C1CC1 ZINC000925798140 1017851540 /nfs/dbraw/zinc/85/15/40/1017851540.db2.gz QRILWMIIILJEPR-MSOLQXFVSA-N 1 0 359.470 2.664 20 5 FFBDRO Cn1ccnc1[C@H](NC[C@]12CCC[C@H]1[NH2+]CC2)c1cccc([N+](=O)[O-])c1 ZINC000925839667 1017864935 /nfs/dbraw/zinc/86/49/35/1017864935.db2.gz ISSBEEJBJRCHHT-ZHALLVOQSA-N 1 0 355.442 2.540 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@@H]2CCC3(CCOCC3)O2)n1 ZINC000927014750 1018326219 /nfs/dbraw/zinc/32/62/19/1018326219.db2.gz PEJUISUPQHNPJF-ARFHVFGLSA-N 1 0 364.446 2.593 20 5 FFBDRO Cn1nc(C2CC2)cc1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000927098087 1018361897 /nfs/dbraw/zinc/36/18/97/1018361897.db2.gz BBTZYAVZKUSPMV-UHFFFAOYSA-N 1 0 355.442 2.964 20 5 FFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cc(N(C)C)cc[nH+]1 ZINC000927699631 1018630097 /nfs/dbraw/zinc/63/00/97/1018630097.db2.gz AENNTKWWFMORHP-OAHLLOKOSA-N 1 0 356.426 2.941 20 5 FFBDRO CC(C)[NH+]1CCN(CCC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CC1 ZINC000901133094 1018761985 /nfs/dbraw/zinc/76/19/85/1018761985.db2.gz BVLUMUHYAUIRBU-UHFFFAOYSA-N 1 0 374.485 2.502 20 5 FFBDRO COCC[N@H+](C)Cc1cc(-c2ccc(N3CCCC3)c([N+](=O)[O-])c2)no1 ZINC000901398378 1019043215 /nfs/dbraw/zinc/04/32/15/1019043215.db2.gz RAAQMWQTZQQSCP-UHFFFAOYSA-N 1 0 360.414 2.928 20 5 FFBDRO COc1cc(C(=O)N[C@H](CC[NH+](C)C)c2cccnc2)cc([N+](=O)[O-])c1C ZINC000928829930 1019143478 /nfs/dbraw/zinc/14/34/78/1019143478.db2.gz GQUJWSWPROFXBO-MRXNPFEDSA-N 1 0 372.425 2.730 20 5 FFBDRO C[NH+](C)CCN(CCc1ccccc1)C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000801824365 1019419428 /nfs/dbraw/zinc/41/94/28/1019419428.db2.gz DQDIVTPMRKPVAW-UHFFFAOYSA-N 1 0 374.416 2.563 20 5 FFBDRO CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[NH+](Cc2ccc(C3CC3)cc2)CC1 ZINC001045437633 1019966950 /nfs/dbraw/zinc/96/69/50/1019966950.db2.gz WGTQPBBQDYAUTA-QZTJIDSGSA-N 1 0 357.454 2.700 20 5 FFBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H](O)CC[C@H](O)c1ccccc1 ZINC000930353086 1019992320 /nfs/dbraw/zinc/99/23/20/1019992320.db2.gz GUUZMJKYGOZIGJ-PMACEKPBSA-N 1 0 358.438 2.944 20 5 FFBDRO CC[NH+](CC)CCNC(=O)c1ccc(OCc2cccnc2[N+](=O)[O-])cc1 ZINC000902260416 1020021808 /nfs/dbraw/zinc/02/18/08/1020021808.db2.gz YBXVLIVVZSQIGC-UHFFFAOYSA-N 1 0 372.425 2.640 20 5 FFBDRO Cn1ccnc1[C@H](N[C@@H]1Cc2ccccc2[C@H]1[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000902435875 1020200801 /nfs/dbraw/zinc/20/08/01/1020200801.db2.gz WLOSPNMKDASQAW-GUDVDZBRSA-N 1 0 363.421 2.632 20 5 FFBDRO O=C1CCc2cc([N+](=O)[O-])c(NC3CC[NH+](C[C@H]4CCCO4)CC3)cc2N1 ZINC000725787239 1020257987 /nfs/dbraw/zinc/25/79/87/1020257987.db2.gz GQWHTPLSHDEZTN-OAHLLOKOSA-N 1 0 374.441 2.535 20 5 FFBDRO Cc1csc(C[C@@H]2CC[N@H+](Cn3nc(C)c4cc([N+](=O)[O-])cnc43)C2)n1 ZINC000902540262 1020268936 /nfs/dbraw/zinc/26/89/36/1020268936.db2.gz LJWHLCQCDIZJIH-ZDUSSCGKSA-N 1 0 372.454 2.935 20 5 FFBDRO COc1cc([C@H](C)[NH2+]Cc2ccc(N3CCOCC3)nc2)cc([N+](=O)[O-])c1 ZINC000903068037 1020661145 /nfs/dbraw/zinc/66/11/45/1020661145.db2.gz WZZLRBBZVOPVRI-AWEZNQCLSA-N 1 0 372.425 2.686 20 5 FFBDRO O=C([C@H]1CC[C@H]2CCCC[N@@H+]21)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000900880324 1020696811 /nfs/dbraw/zinc/69/68/11/1020696811.db2.gz HMIUTHGGCCPKSK-DNVCBOLYSA-N 1 0 373.453 2.982 20 5 FFBDRO COc1ccc(OCC[N@@H+]2CCC[C@@H](c3ccn(C)n3)C2)c([N+](=O)[O-])c1 ZINC000932135481 1020716667 /nfs/dbraw/zinc/71/66/67/1020716667.db2.gz LAQAUVDIQQNVLN-CQSZACIVSA-N 1 0 360.414 2.595 20 5 FFBDRO C[C@@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000932177399 1020734057 /nfs/dbraw/zinc/73/40/57/1020734057.db2.gz PFYWMXXDMOESPP-BEFAXECRSA-N 1 0 370.453 2.665 20 5 FFBDRO COc1cccc(CN(C)C(=O)C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000932181635 1020734552 /nfs/dbraw/zinc/73/45/52/1020734552.db2.gz YAVWOVSRGNQRRW-CQSZACIVSA-N 1 0 357.410 2.913 20 5 FFBDRO COc1ccccc1N1CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000934178432 1021159482 /nfs/dbraw/zinc/15/94/82/1021159482.db2.gz ZQJHCBNLSBMEHH-IBGZPJMESA-N 1 0 371.437 2.849 20 5 FFBDRO CCOC(=O)c1cc(C(=O)Nc2ccc(C)nc2N(C)C)cc([N+](=O)[O-])c1 ZINC000749990254 1021198467 /nfs/dbraw/zinc/19/84/67/1021198467.db2.gz HMFFNOKHQPLDIJ-UHFFFAOYSA-N 1 0 372.381 2.793 20 5 FFBDRO O=[N+]([O-])c1cc(O[C@@H]2C[C@@H]3CC[NH2+][C@H]3C2)ccc1I ZINC001218253082 1033070727 /nfs/dbraw/zinc/07/07/27/1033070727.db2.gz WMLRZPZVCBKIQQ-XRNSZHNASA-N 1 0 374.178 2.719 20 5 FFBDRO [NH3+]CCCN(CC(F)(F)F)C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC001119302765 1022666182 /nfs/dbraw/zinc/66/61/82/1022666182.db2.gz UETABBUFAWECIG-UHFFFAOYSA-N 1 0 371.718 2.670 20 5 FFBDRO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000779060801 1022735921 /nfs/dbraw/zinc/73/59/21/1022735921.db2.gz FUSXFMJBDPRARE-GDBMZVCRSA-N 1 0 365.430 2.617 20 5 FFBDRO O=C(c1c(Br)cccc1[N+](=O)[O-])N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001122232402 1023130887 /nfs/dbraw/zinc/13/08/87/1023130887.db2.gz PQGGFMXZBQMVBE-OAHLLOKOSA-N 1 0 368.231 2.716 20 5 FFBDRO COC(=O)c1cc(Br)cc([N+](=O)[O-])c1O[C@H]1CC[C@H](C)[NH2+]C1 ZINC001218391705 1033134948 /nfs/dbraw/zinc/13/49/48/1033134948.db2.gz GDPMRBAGJCTIFV-WPRPVWTQSA-N 1 0 373.203 2.663 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)O[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001122803270 1023483918 /nfs/dbraw/zinc/48/39/18/1023483918.db2.gz WWWUHVQWZOUNSC-RHSMWYFYSA-N 1 0 372.425 2.554 20 5 FFBDRO C[C@@H]1C[NH2+]CC[C@@H]1Oc1ccc(I)c([N+](=O)[O-])c1 ZINC001218414654 1033146899 /nfs/dbraw/zinc/14/68/99/1033146899.db2.gz MCKYLWYWFYVHJO-PELKAZGASA-N 1 0 362.167 2.576 20 5 FFBDRO O=[N+]([O-])c1cc(O[C@@H]2C[NH2+]CCC23CC3)ccc1I ZINC001218407537 1033142438 /nfs/dbraw/zinc/14/24/38/1033142438.db2.gz YAOVUYCBHRUCMW-GFCCVEGCSA-N 1 0 374.178 2.720 20 5 FFBDRO O=c1oc(-c2ccc([N+](=O)[O-])cc2)nn1CN1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000755269138 1023585294 /nfs/dbraw/zinc/58/52/94/1023585294.db2.gz OMTGOXDZSPDTMC-HFZWIWRYSA-N 1 0 370.409 2.880 20 5 FFBDRO CCn1cc([N+](=O)[O-])c(C(=O)O[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000755835390 1023642392 /nfs/dbraw/zinc/64/23/92/1023642392.db2.gz YQWGSEWGNRSYRX-GDBMZVCRSA-N 1 0 372.425 2.879 20 5 FFBDRO C[C@]1(COC(=O)Cn2ccc([N+](=O)[O-])n2)CCCC[N@@H+]1Cc1ccccc1 ZINC000755914572 1023650596 /nfs/dbraw/zinc/65/05/96/1023650596.db2.gz FJOLOWABOBJESR-LJQANCHMSA-N 1 0 372.425 2.779 20 5 FFBDRO O=[N+]([O-])c1ccc(O[C@@H]2CC[C@@H]3C[NH2+]C[C@H]23)c(I)c1 ZINC001218458866 1033164675 /nfs/dbraw/zinc/16/46/75/1033164675.db2.gz ABBKCZFTCAJVSP-UBHAPETDSA-N 1 0 374.178 2.576 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]Cc2cncc3ccccc32)cc1 ZINC000757957579 1023891056 /nfs/dbraw/zinc/89/10/56/1023891056.db2.gz NOMTZYUJECQPJV-UHFFFAOYSA-N 1 0 371.418 2.707 20 5 FFBDRO CCn1c([C@H](C)[N+](=O)[O-])nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC001121700262 1023934491 /nfs/dbraw/zinc/93/44/91/1023934491.db2.gz UNTHOXWKJXLOKU-OWCLPIDISA-N 1 0 364.494 2.727 20 5 FFBDRO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC001122083272 1024326186 /nfs/dbraw/zinc/32/61/86/1024326186.db2.gz POTWTZQRSJEFPQ-CYBMUJFWSA-N 1 0 351.834 2.972 20 5 FFBDRO [NH3+][C@@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC[C@@H]1C(F)(F)F ZINC001122160015 1024394955 /nfs/dbraw/zinc/39/49/55/1024394955.db2.gz FAZHBIWXNMWJQY-WDEREUQCSA-N 1 0 351.712 2.600 20 5 FFBDRO [NH3+][C@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC[C@@H]1C(F)(F)F ZINC001122160014 1024396013 /nfs/dbraw/zinc/39/60/13/1024396013.db2.gz FAZHBIWXNMWJQY-QWRGUYRKSA-N 1 0 351.712 2.600 20 5 FFBDRO Nc1cnc(NC(=O)[C@@H]([NH3+])Cc2c3ccccc3cc3ccccc32)cn1 ZINC001218623431 1033249517 /nfs/dbraw/zinc/24/95/17/1033249517.db2.gz MPGULLYJGXDBHO-SFHVURJKSA-N 1 0 357.417 2.874 20 5 FFBDRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1N)c1ccccc1 ZINC001141284778 1025761820 /nfs/dbraw/zinc/76/18/20/1025761820.db2.gz LUPXICZAEJBZMB-SFHVURJKSA-N 1 0 356.426 2.990 20 5 FFBDRO Cc1c(C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000838142763 1026225379 /nfs/dbraw/zinc/22/53/79/1026225379.db2.gz PRVNGNUYKXVRAA-ZDUSSCGKSA-N 1 0 364.402 2.582 20 5 FFBDRO O=C1C[C@@]2(CCN(C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)Oc2ccccc21 ZINC000839644085 1026771625 /nfs/dbraw/zinc/77/16/25/1026771625.db2.gz NTSPQZITMYPWFF-UYAOXDASSA-N 1 0 368.389 2.738 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ncn(C[N@H+]3CCCC[C@@H]3[C@@H]3CCC[C@@H]3O)n2)cc1 ZINC000840117671 1026965859 /nfs/dbraw/zinc/96/58/59/1026965859.db2.gz WCVCOESDWYUQCK-KSZLIROESA-N 1 0 371.441 2.826 20 5 FFBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)OCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000840222728 1027011331 /nfs/dbraw/zinc/01/13/31/1027011331.db2.gz FLSBZOAAELGYAM-UHFFFAOYSA-N 1 0 372.425 2.829 20 5 FFBDRO [NH3+]CCc1cn(-c2ccc(-c3ccccc3[N+](=O)[O-])nn2)c2cccnc12 ZINC001158751302 1027123249 /nfs/dbraw/zinc/12/32/49/1027123249.db2.gz JZRCLWBWMGPXBY-UHFFFAOYSA-N 1 0 360.377 2.892 20 5 FFBDRO O=C(NCCC1=CC[N@H+](CC/C=C\c2ccccc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001160107657 1027595572 /nfs/dbraw/zinc/59/55/72/1027595572.db2.gz QRNKEZXZFMOKMM-IYKQLEIESA-N 1 0 369.465 2.894 20 5 FFBDRO C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC001153484384 1027902485 /nfs/dbraw/zinc/90/24/85/1027902485.db2.gz ZITZDZQPBGBCOL-QWRGUYRKSA-N 1 0 370.247 2.846 20 5 FFBDRO Cc1nc(Cl)c([N+](=O)[O-])c(NC2CC[NH+](CC3CCOCC3)CC2)n1 ZINC001161212412 1028070604 /nfs/dbraw/zinc/07/06/04/1028070604.db2.gz NSRIXMKKENLUDH-UHFFFAOYSA-N 1 0 369.853 2.650 20 5 FFBDRO COc1cc(NCC2CC[NH+](Cc3ccccn3)CC2)ncc1[N+](=O)[O-] ZINC001161243925 1028090917 /nfs/dbraw/zinc/09/09/17/1028090917.db2.gz WOYXLCVDVPJHKW-UHFFFAOYSA-N 1 0 357.414 2.718 20 5 FFBDRO Cc1ccc(-c2ccc(NC[C@H]3C[NH2+]CC(C)(C)O3)nn2)cc1[N+](=O)[O-] ZINC001161955400 1028374661 /nfs/dbraw/zinc/37/46/61/1028374661.db2.gz BXYFYSGDXMJJJS-CQSZACIVSA-N 1 0 357.414 2.539 20 5 FFBDRO C[NH+](C)CC[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC001154642431 1028388531 /nfs/dbraw/zinc/38/85/31/1028388531.db2.gz FDISHGKKCOMTKN-LLVKDONJSA-N 1 0 357.357 2.610 20 5 FFBDRO O=[N+]([O-])c1cc(-c2ccc(-n3cncc3C3CC[NH2+]CC3)nn2)ccc1F ZINC001155063036 1028563364 /nfs/dbraw/zinc/56/33/64/1028563364.db2.gz KQFGWGYLPUVIHW-UHFFFAOYSA-N 1 0 368.372 2.844 20 5 FFBDRO O=[N+]([O-])c1cnc(Cl)c(C(F)(F)NC[C@@]2(F)CCCC[NH2+]C2)c1 ZINC001155116252 1028585682 /nfs/dbraw/zinc/58/56/82/1028585682.db2.gz HCCXCRJYYMNBOD-GFCCVEGCSA-N 1 0 352.744 2.764 20 5 FFBDRO CCc1cc(NC[C@@]2(F)CCCC[NH2+]C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001155118978 1028587064 /nfs/dbraw/zinc/58/70/64/1028587064.db2.gz NTVAPCVXOBLPBR-LJQANCHMSA-N 1 0 373.432 2.930 20 5 FFBDRO O=[N+]([O-])c1ccc2nc(Cl)cc(NC[C@H]3OC[C@H]4C[NH2+]CC[C@H]43)c2c1 ZINC001155525617 1028777989 /nfs/dbraw/zinc/77/79/89/1028777989.db2.gz NQYNDTUMJCFYPP-NSODJVPESA-N 1 0 362.817 2.833 20 5 FFBDRO O=[N+]([O-])c1ccc2ccc(-n3c4ccccc4nc3N3CC[NH2+]CC3)nc2c1 ZINC001155578709 1028799852 /nfs/dbraw/zinc/79/98/52/1028799852.db2.gz RZFRSCSQFDNDIN-UHFFFAOYSA-N 1 0 374.404 2.892 20 5 FFBDRO O=[N+]([O-])c1ccc2ccnc(-n3c4ccccc4nc3N3CC[NH2+]CC3)c2c1 ZINC001155589212 1028802232 /nfs/dbraw/zinc/80/22/32/1028802232.db2.gz USNGWOZJLDWBEQ-UHFFFAOYSA-N 1 0 374.404 2.892 20 5 FFBDRO O=[N+]([O-])c1cc2c(Cl)ncnc2cc1N[C@H]1CCO[C@@]2(CC[NH2+]C2)C1 ZINC001155618891 1028820527 /nfs/dbraw/zinc/82/05/27/1028820527.db2.gz NDPMIDGKSXFHRL-QFYYESIMSA-N 1 0 363.805 2.514 20 5 FFBDRO O=[N+]([O-])c1cc(F)cc(Br)c1N[C@@H]1CCO[C@@]2(CC[NH2+]C2)C1 ZINC001163315603 1028888381 /nfs/dbraw/zinc/88/83/81/1028888381.db2.gz LPCICKNDXYBOAC-YGRLFVJLSA-N 1 0 374.210 2.819 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])c(-n2ccc3cc(N4CC[NH2+]CC4)ccc32)n1 ZINC001156215272 1029094429 /nfs/dbraw/zinc/09/44/29/1029094429.db2.gz HKGNMFUAJJNOCU-UHFFFAOYSA-N 1 0 351.410 2.960 20 5 FFBDRO C[N@@H+]1CCN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C[C@@H]1C(C)(C)C ZINC001163929116 1029118439 /nfs/dbraw/zinc/11/84/39/1029118439.db2.gz GTUAINFAVYLUHU-CQSZACIVSA-N 1 0 371.384 2.999 20 5 FFBDRO O=[N+]([O-])c1cc[n+]([O-])c(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC001156315425 1029141026 /nfs/dbraw/zinc/14/10/26/1029141026.db2.gz NXTNGQSYPIWZKE-RYQLBKOJSA-N 1 0 354.410 2.551 20 5 FFBDRO CN(c1cnc2c3ccccc3c3ccccc3c2n1)S(=O)(=O)CC[NH3+] ZINC001164287094 1029231741 /nfs/dbraw/zinc/23/17/41/1029231741.db2.gz JFEJOWNSVVCWSK-UHFFFAOYSA-N 1 0 366.446 2.661 20 5 FFBDRO O=[N+]([O-])c1ccc2[nH]c(N3CC[NH2+][C@@H](Cc4ccc(F)cc4)C3)nc2c1 ZINC001164412905 1029276669 /nfs/dbraw/zinc/27/66/69/1029276669.db2.gz QRUYROIUALSPJL-AWEZNQCLSA-N 1 0 355.373 2.631 20 5 FFBDRO C[C@H]1CC[C@@H](C[NH3+])CN1c1nc(C(F)(F)F)nc(Cl)c1[N+](=O)[O-] ZINC001164473922 1029288915 /nfs/dbraw/zinc/28/89/15/1029288915.db2.gz LBASHTNLDIMOOJ-BQBZGAKWSA-N 1 0 353.732 2.621 20 5 FFBDRO Nc1cc([N+](=O)[O-])cnc1N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC001165155043 1029425085 /nfs/dbraw/zinc/42/50/85/1029425085.db2.gz RRWRBNOGPLAYDQ-UHFFFAOYSA-N 1 0 353.426 2.599 20 5 FFBDRO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CC[C@H]([N@H+](C)C(C)C)C1 ZINC001157001945 1029439003 /nfs/dbraw/zinc/43/90/03/1029439003.db2.gz QTRQBVBOSHGCRM-NSHDSACASA-N 1 0 370.837 2.739 20 5 FFBDRO Cc1cc(N2C[C@H]3[C@H](C2)CCC[N@H+]3C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001157270519 1029530137 /nfs/dbraw/zinc/53/01/37/1029530137.db2.gz FQNLTHLAWWVORS-RDJZCZTQSA-N 1 0 353.426 2.891 20 5 FFBDRO CCC[NH+]1C[C@@H]2CN(c3nc(Cl)nc4ccc([N+](=O)[O-])cc43)C[C@H]2C1 ZINC001157688682 1029645988 /nfs/dbraw/zinc/64/59/88/1029645988.db2.gz FOCUIMQXGIOAMC-VXGBXAGGSA-N 1 0 361.833 2.969 20 5 FFBDRO COc1cccc(N(c2cc(Cl)cc([N+](=O)[O-])n2)C2CC[NH2+]CC2)n1 ZINC001158054900 1029721953 /nfs/dbraw/zinc/72/19/53/1029721953.db2.gz WDXMECJNSCNROH-UHFFFAOYSA-N 1 0 363.805 2.937 20 5 FFBDRO O=C(CC[N@@H+]1CCC[C@@H]([C@H]2CCOC2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000782526167 1029732468 /nfs/dbraw/zinc/73/24/68/1029732468.db2.gz HQSNWAAABQPTGK-KGLIPLIRSA-N 1 0 365.405 2.811 20 5 FFBDRO Cc1c([C@H](C)[NH2+]CC(C)(C)[C@@H]2COCC23OCCO3)cccc1[N+](=O)[O-] ZINC000840805176 1029885756 /nfs/dbraw/zinc/88/57/56/1029885756.db2.gz ZTAXOBDVTLBMGP-YOEHRIQHSA-N 1 0 364.442 2.970 20 5 FFBDRO Cc1c([C@@H](C)[NH2+]CC(C)(C)[C@@H]2COCC23OCCO3)cccc1[N+](=O)[O-] ZINC000840805173 1029885938 /nfs/dbraw/zinc/88/59/38/1029885938.db2.gz ZTAXOBDVTLBMGP-PBHICJAKSA-N 1 0 364.442 2.970 20 5 FFBDRO O=[N+]([O-])c1cc(-c2ccc(-n3ncc4c3CC[NH2+]C4)nn2)ccc1Cl ZINC001165222353 1029903190 /nfs/dbraw/zinc/90/31/90/1029903190.db2.gz ATEGDHWVNCLGNM-UHFFFAOYSA-N 1 0 356.773 2.537 20 5 FFBDRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1c1ccc2ccc3cccnc3c2n1 ZINC001165404501 1029967778 /nfs/dbraw/zinc/96/77/78/1029967778.db2.gz DUDVSMOUJTZTBJ-YESZJQIVSA-N 1 0 362.433 2.513 20 5 FFBDRO Cc1c(C)c(N(c2ncnc3c2CC[NH2+]CC3)C(C)C)ncc1[N+](=O)[O-] ZINC001165510785 1030004805 /nfs/dbraw/zinc/00/48/05/1030004805.db2.gz SCXCRFRZQKHBOC-UHFFFAOYSA-N 1 0 356.430 2.631 20 5 FFBDRO O=C(Nc1cccc(CCO)c1)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC001142094220 1030011230 /nfs/dbraw/zinc/01/12/30/1030011230.db2.gz SCTJPNMUEVHPIQ-UHFFFAOYSA-N 1 0 352.350 2.568 20 5 FFBDRO CC(C)(C)N(c1ccc2[nH]cc([N+](=O)[O-])c2n1)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001165670713 1030077851 /nfs/dbraw/zinc/07/78/51/1030077851.db2.gz UAVDNFCTARIMJK-CYBMUJFWSA-N 1 0 373.457 2.987 20 5 FFBDRO Cc1cccc(N(c2nc(C)ncc2[N+](=O)[O-])[C@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001165773513 1030119925 /nfs/dbraw/zinc/11/99/25/1030119925.db2.gz LBORLACIKKAPGZ-APWZRJJASA-N 1 0 369.425 2.661 20 5 FFBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCCN(c3ncccc3F)CC2)cc1 ZINC000784401468 1030604497 /nfs/dbraw/zinc/60/44/97/1030604497.db2.gz ZRQZPXZDFSCFDB-UHFFFAOYSA-N 1 0 360.389 2.720 20 5 FFBDRO C[C@@H](O)[C@H](O)C[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC001203275926 1030658928 /nfs/dbraw/zinc/65/89/28/1030658928.db2.gz DHZQPCWCDFASQI-IAQYHMDHSA-N 1 0 366.801 2.872 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[NH2+][C@@H]2COC[C@@H]2O)cc1 ZINC001203332332 1030674246 /nfs/dbraw/zinc/67/42/46/1030674246.db2.gz PTXQSEYOMRRJAH-ZBFHGGJFSA-N 1 0 364.785 2.890 20 5 FFBDRO Cc1ccccc1CN1CCO[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001203413730 1030690076 /nfs/dbraw/zinc/69/00/76/1030690076.db2.gz CZCPNBPFBWFQDA-HXUWFJFHSA-N 1 0 355.438 2.894 20 5 FFBDRO O=C1C[C@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CN1CC1CC1 ZINC001203479624 1030721166 /nfs/dbraw/zinc/72/11/66/1030721166.db2.gz VBWSCQPGKLZNRG-AWEZNQCLSA-N 1 0 355.394 2.955 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](C(=O)Nc2ccccn2)C1 ZINC000797518479 1031143432 /nfs/dbraw/zinc/14/34/32/1031143432.db2.gz GICQPQZNHRYRCV-OAHLLOKOSA-N 1 0 370.409 2.849 20 5 FFBDRO C[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H](O)c1cccc(F)c1 ZINC000843101023 1031183016 /nfs/dbraw/zinc/18/30/16/1031183016.db2.gz FRLVRABLPHPSQY-KZULUSFZSA-N 1 0 361.373 2.774 20 5 FFBDRO C[C@@]1(CNC(=O)c2ccc([N+](=O)[O-])cn2)CC[N@H+](Cc2ccccc2)C1 ZINC000798527096 1031444268 /nfs/dbraw/zinc/44/42/68/1031444268.db2.gz NIIJXOSUPOVRSP-IBGZPJMESA-N 1 0 354.410 2.632 20 5 FFBDRO CC[NH+]1CCN(c2cc(N(C)C(=O)[C@@H]3CC34CCC4)cc([N+](=O)[O-])c2)CC1 ZINC001535165394 1069736907 /nfs/dbraw/zinc/73/69/07/1069736907.db2.gz AEKVNCMMCDECIX-SFHVURJKSA-N 1 0 372.469 2.890 20 5 FFBDRO C[NH+]1C[C@]2(C)CN(C(=O)Cc3ccc([N+](=O)[O-])cc3Cl)C[C@@]2(C)C1 ZINC001149671874 1031565717 /nfs/dbraw/zinc/56/57/17/1031565717.db2.gz OLQYZCXXTARLHK-IAGOWNOFSA-N 1 0 351.834 2.591 20 5 FFBDRO CC(C)[C@H](C(=O)O[C@@H]1CCCN(c2ccc(F)cc2[N+](=O)[O-])C1)[NH+](C)C ZINC000798859163 1031567466 /nfs/dbraw/zinc/56/74/66/1031567466.db2.gz CCSLNHOOUJUADE-RHSMWYFYSA-N 1 0 367.421 2.832 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2ncn(C[N@@H+]3CC[C@H](c4ccccn4)C3)n2)c1 ZINC000799159310 1031673422 /nfs/dbraw/zinc/67/34/22/1031673422.db2.gz YESKYXISGXTQAY-HNNXBMFYSA-N 1 0 350.382 2.695 20 5 FFBDRO CCC(CC)(C[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)OC ZINC001205335103 1031678017 /nfs/dbraw/zinc/67/80/17/1031678017.db2.gz PGJAUIGUARSUGS-ZDUSSCGKSA-N 1 0 365.430 2.881 20 5 FFBDRO O=C(NCC1([NH2+]Cc2c(F)cccc2F)CCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001115530614 1031786329 /nfs/dbraw/zinc/78/63/29/1031786329.db2.gz HMTOALSHRMABQT-MLGOLLRUSA-N 1 0 367.396 2.539 20 5 FFBDRO Cc1cccc(OS(=O)(=O)c2ccccc2Cn2ccnc2)c1[N+](=O)[O-] ZINC000799792634 1031888143 /nfs/dbraw/zinc/88/81/43/1031888143.db2.gz CCRXWVXDDLAPCK-UHFFFAOYSA-N 1 0 373.390 2.916 20 5 FFBDRO COC(=O)c1cccc2[nH]c([C@](F)(Cl)O[C@@H](C)C[N+](C)(C)C)nc21 ZINC001223402745 1033429057 /nfs/dbraw/zinc/42/90/57/1033429057.db2.gz HDPKBOWWQBHCAB-MGPLVRAMSA-O 1 0 358.821 2.779 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000830456882 1033621830 /nfs/dbraw/zinc/62/18/30/1033621830.db2.gz MWQPOFULZMFYPN-ZFWWWQNUSA-N 1 0 367.446 2.782 20 5 FFBDRO Nc1nc(=O)[nH]cc1NC(=O)[C@@H]([NH3+])Cc1c2ccccc2cc2ccccc21 ZINC001219701964 1033768425 /nfs/dbraw/zinc/76/84/25/1033768425.db2.gz ULBXIVXDTAZCKJ-KRWDZBQOSA-N 1 0 373.416 2.579 20 5 FFBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)NCc3ccccc3)c2)CC1 ZINC001220187396 1034031109 /nfs/dbraw/zinc/03/11/09/1034031109.db2.gz XWCGYLUBEZLYKW-UHFFFAOYSA-N 1 0 369.425 2.668 20 5 FFBDRO CC1(C)[C@H]([NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@@H]2CCCO[C@H]21 ZINC000831329680 1034038529 /nfs/dbraw/zinc/03/85/29/1034038529.db2.gz XZDBYZIPSJGVGP-JCURWCKSSA-N 1 0 365.405 2.856 20 5 FFBDRO C[N@@H+]1CCN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CC1(C)C ZINC001225061469 1034109448 /nfs/dbraw/zinc/10/94/48/1034109448.db2.gz HPIYKZHQQBWLPM-UHFFFAOYSA-N 1 0 354.838 2.526 20 5 FFBDRO O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000831698868 1034221208 /nfs/dbraw/zinc/22/12/08/1034221208.db2.gz BTGIAKXNIANHSB-ZWKOTPCHSA-N 1 0 361.442 2.542 20 5 FFBDRO COc1cc(OC[C@@H]2CN(Cc3ccccc3)CCO2)ccc1[N+](=O)[O-] ZINC001225434975 1034252588 /nfs/dbraw/zinc/25/25/88/1034252588.db2.gz BKUJFJCWEUUZKD-KRWDZBQOSA-N 1 0 358.394 2.883 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])cc1O[C@@H]1CC[N@@H+]([C@@H](C)c2ccccn2)C1 ZINC001225450446 1034258069 /nfs/dbraw/zinc/25/80/69/1034258069.db2.gz ICLIMGWLYDCTEU-DZGCQCFKSA-N 1 0 371.393 2.991 20 5 FFBDRO [NH2+]=C(Cc1ccc(O[C@H]2CCN(c3c(F)cccc3[N+](=O)[O-])C2)cc1)NO ZINC001225547537 1034299926 /nfs/dbraw/zinc/29/99/26/1034299926.db2.gz YUOWUALCJFUBFP-AWEZNQCLSA-N 1 0 374.372 2.890 20 5 FFBDRO COc1cc(OC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)ncc1[N+](=O)[O-] ZINC001226582043 1034747415 /nfs/dbraw/zinc/74/74/15/1034747415.db2.gz VBYJWQJWLFLZCK-MRXNPFEDSA-N 1 0 373.409 2.668 20 5 FFBDRO O=C(CC[N@@H+]1CC[C@H](F)C1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001139785526 1035232749 /nfs/dbraw/zinc/23/27/49/1035232749.db2.gz VOJOWWLFHKJLAS-LBPRGKRZSA-N 1 0 363.311 2.664 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])cnc1NC1CC[NH+](CC(C)(C)C)CC1 ZINC001161207145 1035374535 /nfs/dbraw/zinc/37/45/35/1035374535.db2.gz IJDGDZGAXVIAGA-UHFFFAOYSA-N 1 0 350.419 2.699 20 5 FFBDRO CC(=O)O[C@H]1C[C@@H]2C[C@H](Oc3ccc([N+](=O)[O-])c4cccnc34)C[C@H]1[N@@H+]2C ZINC001228139638 1035956470 /nfs/dbraw/zinc/95/64/70/1035956470.db2.gz VMNULGNOWHDGGO-UALQAHIBSA-N 1 0 371.393 2.689 20 5 FFBDRO COC(=O)c1cc(OC2CCN(c3cc[nH+]cc3)CC2)cc([N+](=O)[O-])c1 ZINC001228772784 1036316769 /nfs/dbraw/zinc/31/67/69/1036316769.db2.gz ZBRAXHLVTCCWLU-UHFFFAOYSA-N 1 0 357.366 2.824 20 5 FFBDRO C[C@H](C[N+](C)(C)C)Oc1cc(I)ccc1[N+](=O)[O-] ZINC001229153352 1036526324 /nfs/dbraw/zinc/52/63/24/1036526324.db2.gz FJUKPGXJIOIAIM-SECBINFHSA-N 1 0 365.191 2.673 20 5 FFBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(Br)c(CN2CCOCC2)c1 ZINC001234264227 1036980148 /nfs/dbraw/zinc/98/01/48/1036980148.db2.gz KWKODULSIYWRQG-CQSZACIVSA-N 1 0 372.327 2.755 20 5 FFBDRO O=[N+]([O-])c1c[nH]cc2nc(O[C@H]3CCC[N@H+](Cc4ccccc4)C3)nc1-2 ZINC001230230185 1037163518 /nfs/dbraw/zinc/16/35/18/1037163518.db2.gz MCJMFANLDJRMSU-AWEZNQCLSA-N 1 0 353.382 2.910 20 5 FFBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc(OC(F)(F)F)cc1Cl ZINC001230482415 1037289672 /nfs/dbraw/zinc/28/96/72/1037289672.db2.gz SHFQXNPWDONTJW-SECBINFHSA-N 1 0 356.748 2.601 20 5 FFBDRO C[NH+]1CCC2(CC[C@@H](COc3ncnc4cccc([N+](=O)[O-])c43)O2)CC1 ZINC001231052862 1037449562 /nfs/dbraw/zinc/44/95/62/1037449562.db2.gz FZBIZSNCEXCGTR-ZDUSSCGKSA-N 1 0 358.398 2.560 20 5 FFBDRO CC(=O)O[C@@H]1C[C@@H]2C[C@H](Oc3cnc4c(cccc4[N+](=O)[O-])c3)C[C@H]1[N@@H+]2C ZINC001231156961 1037485890 /nfs/dbraw/zinc/48/58/90/1037485890.db2.gz VWYCCRZYETVHIY-LBTBCDHLSA-N 1 0 371.393 2.689 20 5 FFBDRO COc1cc(N2CCC([NH2+][C@H]3C[C@@]34CCCOC4)CC2)ccc1[N+](=O)[O-] ZINC001256092636 1038377257 /nfs/dbraw/zinc/37/72/57/1038377257.db2.gz TVNHNSUIOVGWBS-RBUKOAKNSA-N 1 0 361.442 2.731 20 5 FFBDRO COc1cc(N2CCC([N@@H+]3CC[C@@]4(CCOC4)C3)CC2)ccc1[N+](=O)[O-] ZINC001256093890 1038379706 /nfs/dbraw/zinc/37/97/06/1038379706.db2.gz RRJXMHYZCRQLGQ-LJQANCHMSA-N 1 0 361.442 2.685 20 5 FFBDRO COc1cc(N2CCC([N@H+]3[C@@H]4CC[C@H]3CC(=O)C4)CC2)ccc1[N+](=O)[O-] ZINC001256095250 1038381250 /nfs/dbraw/zinc/38/12/50/1038381250.db2.gz CGTGTMTXGKRCOX-IYBDPMFKSA-N 1 0 359.426 2.768 20 5 FFBDRO COc1cc(N2CCC([N@@H+]3CCOC[C@@H]3C(C)C)CC2)ccc1[N+](=O)[O-] ZINC001256100605 1038383419 /nfs/dbraw/zinc/38/34/19/1038383419.db2.gz LPQXBMMXJQQQQH-GOSISDBHSA-N 1 0 363.458 2.929 20 5 FFBDRO C[C@@H]([NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C(=O)NCC(F)(F)F ZINC001256194656 1038426418 /nfs/dbraw/zinc/42/64/18/1038426418.db2.gz RIQACVABOXYKCL-RNCFNFMXSA-N 1 0 359.348 2.974 20 5 FFBDRO COc1cccc([N+](=O)[O-])c1-c1nc2c(cccc2N2CC[NH+](C)CC2)[nH]1 ZINC001251438162 1039131994 /nfs/dbraw/zinc/13/19/94/1039131994.db2.gz GJSAAUQKAWQYFJ-UHFFFAOYSA-N 1 0 367.409 2.899 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CCC(F)(F)[C@@H](C[NH3+])C2)c1F ZINC001246560577 1039397228 /nfs/dbraw/zinc/39/72/28/1039397228.db2.gz VQQBHXBUPAKVSC-MNOVXSKESA-N 1 0 361.364 2.589 20 5 FFBDRO COc1cccc(-c2noc(C[C@H]([NH3+])Cc3ccc([N+](=O)[O-])cc3)n2)c1F ZINC001248214536 1040175695 /nfs/dbraw/zinc/17/56/95/1040175695.db2.gz QRFBCWHCPOBZDM-GFCCVEGCSA-N 1 0 372.356 2.905 20 5 FFBDRO C[C@H]1C[NH2+]CCN1Cc1nc(-c2ccc3ccc4cccnc4c3n2)no1 ZINC001248313845 1040223762 /nfs/dbraw/zinc/22/37/62/1040223762.db2.gz ZALQPNSVXDVYJT-ZDUSSCGKSA-N 1 0 360.421 2.627 20 5 FFBDRO CN(C)c1cccc(-c2noc(C[C@@H]([NH3+])c3cccc([N+](=O)[O-])c3)n2)c1 ZINC001249278889 1040664723 /nfs/dbraw/zinc/66/47/23/1040664723.db2.gz QFXBMDSUQQCQTB-MRXNPFEDSA-N 1 0 353.382 2.953 20 5 FFBDRO [NH3+][C@@H]1Cc2ccccc2N(C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254465248 1040734323 /nfs/dbraw/zinc/73/43/23/1040734323.db2.gz VRPFPCJQIBVBDU-MRXNPFEDSA-N 1 0 352.438 2.954 20 5 FFBDRO Cc1ccn2c(c1)nnc2C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254465232 1040734421 /nfs/dbraw/zinc/73/44/21/1040734421.db2.gz VGLSHSHEBAWHGG-UHFFFAOYSA-N 1 0 366.425 2.705 20 5 FFBDRO CCC(=O)N1CCC([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001254465816 1040734623 /nfs/dbraw/zinc/73/46/23/1040734623.db2.gz MECDSEAVCUHQBZ-UHFFFAOYSA-N 1 0 360.458 2.554 20 5 FFBDRO CC(C)NC(=O)[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C(C)C ZINC001254469602 1040735774 /nfs/dbraw/zinc/73/57/74/1040735774.db2.gz ROYZVOLTOOSWEF-SFHVURJKSA-N 1 0 362.474 2.702 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CCCC[C@](O)(CF)C3)CC2)cc1 ZINC001254474090 1040740913 /nfs/dbraw/zinc/74/09/13/1040740913.db2.gz LOBOCGUKIFLBOZ-SFHVURJKSA-N 1 0 351.422 2.750 20 5 FFBDRO COC[C@@H](C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC001254539883 1040789406 /nfs/dbraw/zinc/78/94/06/1040789406.db2.gz LHODKGHFYDGGFF-DZGCQCFKSA-N 1 0 367.446 2.655 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCc1ccc(CC(=O)N(C)C)cc1 ZINC001254550835 1040791712 /nfs/dbraw/zinc/79/17/12/1040791712.db2.gz RVTARRICYYCKPF-MRXNPFEDSA-N 1 0 369.465 2.989 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N1CC[N@H+](Cc2ccccc2)[C@@H](CO)C1 ZINC001254550988 1040792042 /nfs/dbraw/zinc/79/20/42/1040792042.db2.gz UXMUGNRTCIOWSM-YLJYHZDGSA-N 1 0 369.465 2.705 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1C[C@@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC001254560956 1040797478 /nfs/dbraw/zinc/79/74/78/1040797478.db2.gz IOPSDROTWBMVTC-NEWSRXKRSA-N 1 0 366.465 2.985 20 5 FFBDRO COc1cnc(OC2CC[NH+]([C@@H](C)Cc3ccccc3[N+](=O)[O-])CC2)nc1 ZINC001254568014 1040805598 /nfs/dbraw/zinc/80/55/98/1040805598.db2.gz FEDRQJKHRXSOFZ-AWEZNQCLSA-N 1 0 372.425 2.868 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCC(NC(=O)c2cccnc2)CC1 ZINC001254567285 1040806396 /nfs/dbraw/zinc/80/63/96/1040806396.db2.gz AFHGBEJVTJDMTC-HNNXBMFYSA-N 1 0 368.437 2.815 20 5 FFBDRO COc1ccnc(N([C@H](C)Cc2ccccc2[N+](=O)[O-])C2CC[NH2+]CC2)n1 ZINC001254571596 1040807663 /nfs/dbraw/zinc/80/76/63/1040807663.db2.gz YNIHXZGABSCBLT-CQSZACIVSA-N 1 0 371.441 2.583 20 5 FFBDRO O=C(c1cccc(F)c1)N1CC[C@H]([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254584328 1040816221 /nfs/dbraw/zinc/81/62/21/1040816221.db2.gz HHTBOMRRHJWILS-ROUUACIJSA-N 1 0 369.396 2.705 20 5 FFBDRO [NH3+][C@H]1CC[C@H](N(c2ncccn2)[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254585693 1040818291 /nfs/dbraw/zinc/81/82/91/1040818291.db2.gz DZJDEZWBTCAWKG-JFIYKMOQSA-N 1 0 353.426 2.629 20 5 FFBDRO O=C1NCCCN1c1cccc(C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001254586525 1040818407 /nfs/dbraw/zinc/81/84/07/1040818407.db2.gz LEYAJKQKKDABSH-QGZVFWFLSA-N 1 0 366.421 2.772 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1C[C@H]3CN(Cc4nccs4)C[C@H]3C1)C2 ZINC001254594306 1040822781 /nfs/dbraw/zinc/82/27/81/1040822781.db2.gz DGCVBYUSYZJILB-JZXOWHBKSA-N 1 0 370.478 2.582 20 5 FFBDRO O=C(NC1CCC1)[C@H]1CC12CC[NH+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)CC2 ZINC001254595805 1040824178 /nfs/dbraw/zinc/82/41/78/1040824178.db2.gz MWVRYKMCHGHOBU-RBUKOAKNSA-N 1 0 369.465 2.833 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH+]1CCC3(CC(N4CCCC4)=NO3)CC1)C2 ZINC001254600716 1040829202 /nfs/dbraw/zinc/82/92/02/1040829202.db2.gz QVWDZKLQISPBFK-GOSISDBHSA-N 1 0 370.453 2.726 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH+]1CCN(c3ccc(Cl)cn3)CC1)C2 ZINC001254604036 1040834972 /nfs/dbraw/zinc/83/49/72/1040834972.db2.gz SVLJGGDPVNXCFS-QGZVFWFLSA-N 1 0 358.829 2.933 20 5 FFBDRO COC(=O)[C@@H]1C[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)Cc2ccccc21 ZINC001254609391 1040836122 /nfs/dbraw/zinc/83/61/22/1040836122.db2.gz VYBSYHDQMRBWLI-PKOBYXMFSA-N 1 0 352.390 2.834 20 5 FFBDRO O=C(c1ccccc1)N1CCC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254609420 1040837161 /nfs/dbraw/zinc/83/71/61/1040837161.db2.gz WPEKZDLCLPJKKY-HXUWFJFHSA-N 1 0 365.433 2.910 20 5 FFBDRO Cc1ccc(Nc2ccc(N3CC[NH+](C)CC3)c(CO)c2)c([N+](=O)[O-])c1 ZINC001214171316 1041289533 /nfs/dbraw/zinc/28/95/33/1041289533.db2.gz COSNBJJMFBXQBA-UHFFFAOYSA-N 1 0 356.426 2.891 20 5 FFBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C[NH+](C)C)cc1OC ZINC001261877738 1041455966 /nfs/dbraw/zinc/45/59/66/1041455966.db2.gz PXBBFTHKYSNUES-UHFFFAOYSA-N 1 0 358.398 2.959 20 5 FFBDRO CC(C)(C)c1ccc(C(=O)NC[C@H]2C[NH2+]CCC2(F)F)cc1[N+](=O)[O-] ZINC001262049621 1041531993 /nfs/dbraw/zinc/53/19/93/1041531993.db2.gz ZYDHZEGZGIECQZ-GFCCVEGCSA-N 1 0 355.385 2.867 20 5 FFBDRO CCC1([NH+]2CCC2)CCN(S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])CC1 ZINC001262076878 1041540445 /nfs/dbraw/zinc/54/04/45/1041540445.db2.gz KEDNYUYMWAKCFP-UHFFFAOYSA-N 1 0 367.471 2.542 20 5 FFBDRO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC001262094212 1041552966 /nfs/dbraw/zinc/55/29/66/1041552966.db2.gz YYFNXRBJNZHMNB-UKRRQHHQSA-N 1 0 372.347 2.697 20 5 FFBDRO Cn1c2ccccc2c(N2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)c([N+](=O)[O-])c1=O ZINC001262377547 1041665786 /nfs/dbraw/zinc/66/57/86/1041665786.db2.gz YINFRMYTFFISSL-SOUVJXGZSA-N 1 0 370.453 2.613 20 5 FFBDRO O=C(Cn1c2ccccc2c(=O)c2ccccc21)NC[C@@H]1CCC[NH2+]CC1 ZINC001263323316 1042241016 /nfs/dbraw/zinc/24/10/16/1042241016.db2.gz MOWAVCBIITYMJP-MRXNPFEDSA-N 1 0 363.461 2.661 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC001265557692 1042865944 /nfs/dbraw/zinc/86/59/44/1042865944.db2.gz XVXVSJPCYYFBNB-RDTXWAMCSA-N 1 0 368.437 2.939 20 5 FFBDRO CN(C)c1ccc([C@H](C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)N(C)C)cc1 ZINC000905703696 1043783415 /nfs/dbraw/zinc/78/34/15/1043783415.db2.gz IWLYFYDBCAOESW-VQTJNVASSA-N 1 0 372.469 2.587 20 5 FFBDRO Cc1ccc(CNC(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)cc1[N+](=O)[O-] ZINC001311100936 1043803084 /nfs/dbraw/zinc/80/30/84/1043803084.db2.gz DOWKYGZUUDULFP-UHFFFAOYSA-N 1 0 372.429 2.688 20 5 FFBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC001318130226 1045221026 /nfs/dbraw/zinc/22/10/26/1045221026.db2.gz MJEXWLLTEGWTRK-UHFFFAOYSA-N 1 0 358.398 2.829 20 5 FFBDRO CC[NH+](CC)Cc1ccc(-c2nnc(Cn3cc([N+](=O)[O-])nc3C)o2)o1 ZINC001322843413 1046244863 /nfs/dbraw/zinc/24/48/63/1046244863.db2.gz YXDORMJHEBFKAH-UHFFFAOYSA-N 1 0 360.374 2.633 20 5 FFBDRO CN1CC[C@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)[C@@H]1c1ccc(F)cc1 ZINC001332990949 1048661399 /nfs/dbraw/zinc/66/13/99/1048661399.db2.gz ANJQYOFGFFGLDT-RLNQZENFSA-N 1 0 359.405 2.669 20 5 FFBDRO CC1(C)[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[C@H]2CCC[NH2+][C@H]21 ZINC001333221199 1048766477 /nfs/dbraw/zinc/76/64/77/1048766477.db2.gz RQLDIDMIDQZBJI-APHBMKBZSA-N 1 0 351.834 2.684 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)n1 ZINC001294189191 1049704967 /nfs/dbraw/zinc/70/49/67/1049704967.db2.gz KBJVBPRIJYXWCB-INIZCTEOSA-N 1 0 354.410 2.645 20 5 FFBDRO O=[N+]([O-])c1ccc2ncnc(NC[C@@H]3CCCC[C@@H]3[NH+]3CCOCC3)c2c1 ZINC001307210088 1050045156 /nfs/dbraw/zinc/04/51/56/1050045156.db2.gz YZDORTXBQASDOT-KSSFIOAISA-N 1 0 371.441 2.841 20 5 FFBDRO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CC[C@H]1C[NH3+] ZINC001341874458 1050480504 /nfs/dbraw/zinc/48/05/04/1050480504.db2.gz COIRJVQPTUXZHX-CABCVRRESA-N 1 0 360.458 2.642 20 5 FFBDRO C[N@@H+]1C[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2F)[C@H](c2ccccc2)C1 ZINC001299849210 1050622749 /nfs/dbraw/zinc/62/27/49/1050622749.db2.gz CEXQYTMYBNMTFS-PBHICJAKSA-N 1 0 357.385 2.809 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(C[NH3+])(c2ccccc2)CC1 ZINC001342089509 1050685531 /nfs/dbraw/zinc/68/55/31/1050685531.db2.gz QTCUDMRBNATYRO-UHFFFAOYSA-N 1 0 369.421 2.736 20 5 FFBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC001542262187 1071199435 /nfs/dbraw/zinc/19/94/35/1071199435.db2.gz DBZXEBCSJJZMBW-HZSPNIEDSA-N 1 0 351.422 2.759 20 5 FFBDRO CCn1c([C@H](C)[N+](=O)[O-])nnc1N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001340876871 1051209180 /nfs/dbraw/zinc/20/91/80/1051209180.db2.gz AXMBHAZAMUBKAE-DOTOQJQBSA-N 1 0 372.473 2.737 20 5 FFBDRO CCn1c([C@H](C)[N+](=O)[O-])nnc1N1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001342656721 1051265142 /nfs/dbraw/zinc/26/51/42/1051265142.db2.gz BIJVJZGWJIXKTK-HNNXBMFYSA-N 1 0 372.473 2.737 20 5 FFBDRO O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC001542350616 1071216290 /nfs/dbraw/zinc/21/62/90/1071216290.db2.gz MMPAAKDWXJCRHK-ZDUSSCGKSA-N 1 0 367.833 2.575 20 5 FFBDRO CC[C@@H]1CN(c2nnc([C@@H](C)[N+](=O)[O-])n2CC)CC[N@@H+]1Cc1ccccc1 ZINC001341000717 1051336107 /nfs/dbraw/zinc/33/61/07/1051336107.db2.gz DEKJDMXFUGJNMI-NVXWUHKLSA-N 1 0 372.473 2.737 20 5 FFBDRO CCn1c(-c2c[nH]c([N+](=O)[O-])c2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001342736972 1051352971 /nfs/dbraw/zinc/35/29/71/1051352971.db2.gz ZQIDRLLFKPPZHL-AWEZNQCLSA-N 1 0 373.461 2.514 20 5 FFBDRO C[NH+](C)CC[C@@H]1CCN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC001303477317 1051362522 /nfs/dbraw/zinc/36/25/22/1051362522.db2.gz LDCLZYKJYJVYBH-LLVKDONJSA-N 1 0 357.357 2.610 20 5 FFBDRO C[NH+](C)CC[C@H]1CCN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC001303477319 1051363840 /nfs/dbraw/zinc/36/38/40/1051363840.db2.gz LDCLZYKJYJVYBH-NSHDSACASA-N 1 0 357.357 2.610 20 5 FFBDRO C[C@@H]1[C@@H](NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC001303802580 1051452193 /nfs/dbraw/zinc/45/21/93/1051452193.db2.gz ZLAZBNOHIFUZHB-PWSUYJOCSA-N 1 0 374.363 2.624 20 5 FFBDRO [NH3+]CC[C@@H]1Cc2ccccc2N(C(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC001342871748 1051480183 /nfs/dbraw/zinc/48/01/83/1051480183.db2.gz DVNAYSRTQCLFIF-CQSZACIVSA-N 1 0 355.394 2.528 20 5 FFBDRO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001341231964 1051592343 /nfs/dbraw/zinc/59/23/43/1051592343.db2.gz GQFAWHRRGCOAJV-LJQANCHMSA-N 1 0 358.442 2.553 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1C[C@@H](C[C@H]2COCC[NH2+]2)c2ccccc21 ZINC001341360656 1051719960 /nfs/dbraw/zinc/71/99/60/1051719960.db2.gz QFMZDLFFTSYLGQ-CVEARBPZSA-N 1 0 367.405 2.717 20 5 FFBDRO CCOc1ccccc1[C@H]([NH3+])CC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001343258218 1052110018 /nfs/dbraw/zinc/11/00/18/1052110018.db2.gz PIWPIDSCIXLUIW-GOSISDBHSA-N 1 0 369.421 2.968 20 5 FFBDRO CC[N@H+]1[C@H](C)CN(C(=O)c2cccc([N+](=O)[O-])c2Br)C[C@@H]1C ZINC001306869929 1052207671 /nfs/dbraw/zinc/20/76/71/1052207671.db2.gz MVVQGANNFXEHEX-PHIMTYICSA-N 1 0 370.247 2.912 20 5 FFBDRO O=[N+]([O-])c1cnc2ccc(F)cc2c1NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001306931278 1052224106 /nfs/dbraw/zinc/22/41/06/1052224106.db2.gz HPERWDCRVJLCIA-HNNXBMFYSA-N 1 0 374.416 2.759 20 5 FFBDRO C[N@H+](CCCC1CCCC1)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC001307871352 1052359038 /nfs/dbraw/zinc/35/90/38/1052359038.db2.gz AXVLFAYOEZVQNK-UHFFFAOYSA-N 1 0 369.487 2.775 20 5 FFBDRO CC[C@@H]1CCC[C@H]([NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001308259255 1052438420 /nfs/dbraw/zinc/43/84/20/1052438420.db2.gz PEBUEKBPVPUCHX-CABCVRRESA-N 1 0 369.487 2.822 20 5 FFBDRO CC[C@H]1CCC[C@H](C[NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC001308258638 1052438505 /nfs/dbraw/zinc/43/85/05/1052438505.db2.gz AEPWVWZKFDOFPK-GJZGRUSLSA-N 1 0 369.487 2.679 20 5 FFBDRO COC(=O)[C@@H]1[C@H](C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1(F)F ZINC001308774213 1052497540 /nfs/dbraw/zinc/49/75/40/1052497540.db2.gz QTDPQVVMCINCAI-SNPRPXQTSA-N 1 0 354.353 2.829 20 5 FFBDRO COc1ccccc1C[C@@](C)(CO)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC001308886779 1052512916 /nfs/dbraw/zinc/51/29/16/1052512916.db2.gz QZXDICYIVSUPNR-IBGZPJMESA-N 1 0 371.393 2.828 20 5 FFBDRO Cc1ccc(S(=O)(=O)NCCC[NH+]2CCC(C)CC2)c(C)c1[N+](=O)[O-] ZINC001309025440 1052541844 /nfs/dbraw/zinc/54/18/44/1052541844.db2.gz YGSKDSUPCBCGIU-UHFFFAOYSA-N 1 0 369.487 2.612 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)NCCc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC001334918227 1053150297 /nfs/dbraw/zinc/15/02/97/1053150297.db2.gz PCEPDBXKDUCTJD-XYJFISCASA-N 1 0 360.458 2.509 20 5 FFBDRO COc1cc(C(=O)N2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)c([N+](=O)[O-])cc1F ZINC001335225966 1053263691 /nfs/dbraw/zinc/26/36/91/1053263691.db2.gz GCEMDPKQQFWNGI-AVGNSLFASA-N 1 0 365.405 2.545 20 5 FFBDRO C[C@@H](COc1c(F)cccc1F)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001335483941 1053393094 /nfs/dbraw/zinc/39/30/94/1053393094.db2.gz DSTOVTCXBRNSDZ-MEDUHNTESA-N 1 0 352.337 2.964 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])c4cccnc34)C[C@H]2C1 ZINC001335653282 1053489611 /nfs/dbraw/zinc/48/96/11/1053489611.db2.gz RKJGNPJQKAREKX-RBSFLKMASA-N 1 0 368.437 2.945 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@@H]2C1 ZINC001336092379 1053763253 /nfs/dbraw/zinc/76/32/53/1053763253.db2.gz BDGBBLYYJYKVIG-MJBXVCDLSA-N 1 0 362.430 2.797 20 5 FFBDRO C[C@H](CNC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N)C[NH+]1CCCC1 ZINC001543253818 1071428893 /nfs/dbraw/zinc/42/88/93/1071428893.db2.gz YTCFLGHSTYNVSF-CYBMUJFWSA-N 1 0 356.426 2.792 20 5 FFBDRO C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC001336745965 1054188269 /nfs/dbraw/zinc/18/82/69/1054188269.db2.gz ULGJQDKBRGPKSW-LLVKDONJSA-N 1 0 356.220 2.571 20 5 FFBDRO O=[N+]([O-])c1cccc2ncnc(N3CCCN(c4cc[nH+]cc4)CC3)c21 ZINC001336826074 1054261360 /nfs/dbraw/zinc/26/13/60/1054261360.db2.gz OKXGQMGOARHOEG-UHFFFAOYSA-N 1 0 350.382 2.650 20 5 FFBDRO O=[N+]([O-])c1cccc2c1ccnc2N1CCC([NH2+]C2CCOCC2)CC1 ZINC001337267405 1054609011 /nfs/dbraw/zinc/60/90/11/1054609011.db2.gz IZXOQXLFGNSWOK-UHFFFAOYSA-N 1 0 356.426 2.880 20 5 FFBDRO Cc1c(C(=O)O[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])ccc2c[nH+]cn21 ZINC001337873540 1055077165 /nfs/dbraw/zinc/07/71/65/1055077165.db2.gz HXIAUHYWLBWVCT-LBPRGKRZSA-N 1 0 368.349 2.735 20 5 FFBDRO CCOC(=O)c1cc(-c2nc([C@@H]3C[NH+]4CCC3CC4)no2)cc([N+](=O)[O-])c1 ZINC001337927902 1055108761 /nfs/dbraw/zinc/10/87/61/1055108761.db2.gz CLFDSGHUQRLWLW-OAHLLOKOSA-N 1 0 372.381 2.631 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)CCNc3ccccc3[N+](=O)[O-])C[C@H]2C1 ZINC001352184612 1055256240 /nfs/dbraw/zinc/25/62/40/1055256240.db2.gz VUIADWXWFWVROO-BZUAXINKSA-N 1 0 360.458 2.586 20 5 FFBDRO Cc1csc(C(=O)Nc2cc(N3CC[NH+](C)CC3)ccc2[N+](=O)[O-])c1 ZINC001338335956 1055427794 /nfs/dbraw/zinc/42/77/94/1055427794.db2.gz PVSPDKIOHDEAPR-UHFFFAOYSA-N 1 0 360.439 2.969 20 5 FFBDRO [NH2+]=C(NCCc1cccc([N+](=O)[O-])c1)N1CCN(c2ccc(F)cc2)CC1 ZINC000849001513 1055497241 /nfs/dbraw/zinc/49/72/41/1055497241.db2.gz QPWDWOWMAFVZTP-UHFFFAOYSA-N 1 0 371.416 2.623 20 5 FFBDRO Cc1cc(-c2nnc(N3CC[C@@H]([NH+]4CCCCC4)C3)n2C)cc([N+](=O)[O-])c1 ZINC001338544467 1055609545 /nfs/dbraw/zinc/60/95/45/1055609545.db2.gz CCNYPUMNJWBICA-MRXNPFEDSA-N 1 0 370.457 2.763 20 5 FFBDRO CCC1([NH+](C)C)CCN(c2nnc(-c3csc([N+](=O)[O-])c3)n2C)CC1 ZINC001350403326 1055757690 /nfs/dbraw/zinc/75/76/90/1055757690.db2.gz ZQLKFPGRYSKMCT-UHFFFAOYSA-N 1 0 364.475 2.762 20 5 FFBDRO Nc1c(C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)cc2ccccc2c1[N+](=O)[O-] ZINC001350573103 1055840637 /nfs/dbraw/zinc/84/06/37/1055840637.db2.gz HRZITOGRTSERLI-CQSZACIVSA-N 1 0 354.410 2.641 20 5 FFBDRO C[C@H](c1ccccc1)[N@H+](CCO)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001473291410 1055954997 /nfs/dbraw/zinc/95/49/97/1055954997.db2.gz LCVHYZFPOOTFNP-OAHLLOKOSA-N 1 0 357.410 2.979 20 5 FFBDRO CC1(C)CCC(C[NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001200334125 1056387237 /nfs/dbraw/zinc/38/72/37/1056387237.db2.gz PVLNKSVNFBTGFK-UHFFFAOYSA-N 1 0 369.487 2.679 20 5 FFBDRO C[C@H]1C[C@H](NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])CC[N@@H+]1C ZINC001545105635 1071733349 /nfs/dbraw/zinc/73/33/49/1071733349.db2.gz MSGPALLXPWJZKR-DZGCQCFKSA-N 1 0 354.410 2.869 20 5 FFBDRO Cc1cc(F)ccc1C[NH+]1CCC(C)(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001500424878 1058487090 /nfs/dbraw/zinc/48/70/90/1058487090.db2.gz VMZBNDAHYQNHPD-IAGOWNOFSA-N 1 0 363.433 2.518 20 5 FFBDRO CC1([NH2+]CCCCc2ccccc2)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001502779357 1058897483 /nfs/dbraw/zinc/89/74/83/1058897483.db2.gz WCAFAMUMZKOVBX-QZTJIDSGSA-N 1 0 359.470 2.645 20 5 FFBDRO C[NH+](C)CCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2N)cc1F ZINC001451199766 1059091916 /nfs/dbraw/zinc/09/19/16/1059091916.db2.gz QXXXAZMKRHUDDJ-UHFFFAOYSA-N 1 0 362.361 2.509 20 5 FFBDRO COc1cc(C(=O)N2C[C@H](C[NH3+])Cc3cc(F)ccc32)ccc1[N+](=O)[O-] ZINC001354853547 1059566165 /nfs/dbraw/zinc/56/61/65/1059566165.db2.gz DNXJCFHKBNXCHI-NSHDSACASA-N 1 0 359.357 2.520 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)c3cc(F)c([N+](=O)[O-])cc3F)C[C@H]2C1 ZINC001355057715 1059837893 /nfs/dbraw/zinc/83/78/93/1059837893.db2.gz HTOSUJJYDPTCIV-QJPTWQEYSA-N 1 0 353.369 2.675 20 5 FFBDRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)OC ZINC001515868554 1059852697 /nfs/dbraw/zinc/85/26/97/1059852697.db2.gz MZSXFERPPYVVHY-MRXNPFEDSA-N 1 0 374.445 2.725 20 5 FFBDRO COc1cc(C(=O)N2CCC([C@@H]3CCC[NH2+]CC3)CC2)ccc1[N+](=O)[O-] ZINC001355067693 1059853217 /nfs/dbraw/zinc/85/32/17/1059853217.db2.gz UHSSOGUTLDDNJD-CQSZACIVSA-N 1 0 361.442 2.845 20 5 FFBDRO CC[NH+]1CCN(C2CN(c3c(Cl)c(Cl)ccc3[N+](=O)[O-])C2)CC1 ZINC001516026618 1059932580 /nfs/dbraw/zinc/93/25/80/1059932580.db2.gz BACYCNKGDINURC-UHFFFAOYSA-N 1 0 359.257 2.728 20 5 FFBDRO COC(=O)Cc1ccc(NC2CCN(c3cc[nH+]cc3)CC2)c([N+](=O)[O-])c1 ZINC001516493649 1060109998 /nfs/dbraw/zinc/10/99/98/1060109998.db2.gz QATPHIUNCMBRIT-UHFFFAOYSA-N 1 0 370.409 2.786 20 5 FFBDRO COc1c(C(=O)NCCNc2cc(C)nc(C(C)C)n2)cccc1[N+](=O)[O-] ZINC000600363811 1060311774 /nfs/dbraw/zinc/31/17/74/1060311774.db2.gz BPDWGQCAAMTEPG-UHFFFAOYSA-N 1 0 373.413 2.667 20 5 FFBDRO CN(C)c1cc(F)c(C(=O)N2CCC(C)(C)[NH2+]C(C)(C)C2)cc1[N+](=O)[O-] ZINC001457306754 1060339537 /nfs/dbraw/zinc/33/95/37/1060339537.db2.gz GKVZWPINOFIDJD-UHFFFAOYSA-N 1 0 366.437 2.793 20 5 FFBDRO Cn1c([C@@H]2CCC[N@H+](C)C2)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001355538938 1060340230 /nfs/dbraw/zinc/34/02/30/1060340230.db2.gz URVVMTQQMNMTCO-OAHLLOKOSA-N 1 0 370.457 2.702 20 5 FFBDRO CCOC(=O)c1cc([N+](=O)[O-])c(NCCCC[NH+]2CCOCC2)cc1C ZINC001458110513 1060516656 /nfs/dbraw/zinc/51/66/56/1060516656.db2.gz UAXAJBSYYCKZAA-UHFFFAOYSA-N 1 0 365.430 2.604 20 5 FFBDRO CC[NH+](CC)CC[C@@H](Nc1nccc(C(N)=O)c1[N+](=O)[O-])c1ccccc1 ZINC001458698086 1060650673 /nfs/dbraw/zinc/65/06/73/1060650673.db2.gz HVVNXSVXYXRCLE-MRXNPFEDSA-N 1 0 371.441 2.974 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2nnc(N3CCCC3)n2CC[NH+]2CCCC2)c1 ZINC001521575501 1060983293 /nfs/dbraw/zinc/98/32/93/1060983293.db2.gz POZQZGSQPIYCGJ-UHFFFAOYSA-N 1 0 356.430 2.549 20 5 FFBDRO O=C([C@@H]1CC[NH2+][C@@H]([C@@H]2CCCO2)C1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001521864812 1061178286 /nfs/dbraw/zinc/17/82/86/1061178286.db2.gz PLRCVCZMVSWXIP-LZQZEXGQSA-N 1 0 373.453 2.633 20 5 FFBDRO CCC[NH+]1CCC(CNC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC001526863299 1061301665 /nfs/dbraw/zinc/30/16/65/1061301665.db2.gz RGRIXOXMHMXPJO-UHFFFAOYSA-N 1 0 350.419 2.847 20 5 FFBDRO CCC(CC)[NH2+]CCNC(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1C ZINC001476538720 1061428499 /nfs/dbraw/zinc/42/84/99/1061428499.db2.gz CMSPLJVTRHMOEI-UHFFFAOYSA-N 1 0 366.418 2.590 20 5 FFBDRO C[NH+](C)[C@@H](CNC(=O)Nc1ccc(N)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC001476861977 1061494406 /nfs/dbraw/zinc/49/44/06/1061494406.db2.gz LJDVOAIMORFHIZ-INIZCTEOSA-N 1 0 361.377 2.741 20 5 FFBDRO CNc1cc(CNC(=O)NCCCNc2ccc(C)cc2[N+](=O)[O-])ccn1 ZINC001477975357 1061857023 /nfs/dbraw/zinc/85/70/23/1061857023.db2.gz YZXBFELXMNXHGU-UHFFFAOYSA-N 1 0 372.429 2.641 20 5 FFBDRO O=C(Oc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001528364759 1061880833 /nfs/dbraw/zinc/88/08/33/1061880833.db2.gz ODYLSMDVPIEMTC-AWEZNQCLSA-N 1 0 371.349 2.931 20 5 FFBDRO C[C@H](N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccccc1[N+](=O)[O-] ZINC000774596802 1062075898 /nfs/dbraw/zinc/07/58/98/1062075898.db2.gz LNUYQQDDYIUSCK-BLLLJJGKSA-N 1 0 370.365 2.959 20 5 FFBDRO COc1cc(C(=O)N2CCC(C)(C)[NH2+]C(C)(C)C2)c([N+](=O)[O-])cc1F ZINC001529320923 1062266791 /nfs/dbraw/zinc/26/67/91/1062266791.db2.gz SPLYIKLXVSANEX-UHFFFAOYSA-N 1 0 353.394 2.735 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCCC[C@H]1[C@@H](C)C[NH+](C)C ZINC001464166993 1062458925 /nfs/dbraw/zinc/45/89/25/1062458925.db2.gz LMDQKDVBTKNFNX-GJZGRUSLSA-N 1 0 369.487 2.644 20 5 FFBDRO CC(C)[NH+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2[C@@H]2C[C@H]2C)CC1 ZINC001493367444 1063143330 /nfs/dbraw/zinc/14/33/30/1063143330.db2.gz PEYORZXQKQSCSF-RHSMWYFYSA-N 1 0 370.457 2.965 20 5 FFBDRO C[NH+](C)CCN(Cc1ccco1)C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC001465793570 1063215031 /nfs/dbraw/zinc/21/50/31/1063215031.db2.gz VHUKRRGHSLLRHU-UHFFFAOYSA-N 1 0 366.805 2.627 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)n1 ZINC001441192412 1063408515 /nfs/dbraw/zinc/40/85/15/1063408515.db2.gz XSFIXNYXTKYLOY-UHFFFAOYSA-N 1 0 368.437 2.955 20 5 FFBDRO CC[C@H]1C[N@H+](CC)CCN1C(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC001525865159 1063442913 /nfs/dbraw/zinc/44/29/13/1063442913.db2.gz IVIUTTCGQXUSLK-JSGCOSHPSA-N 1 0 369.849 2.958 20 5 FFBDRO CC(C)c1n[nH]c(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCCCC2)c1[N+](=O)[O-] ZINC001471234201 1064607483 /nfs/dbraw/zinc/60/74/83/1064607483.db2.gz CZBMXIDGRRTLMB-AWEZNQCLSA-N 1 0 363.462 2.968 20 5 FFBDRO CC[NH+](CC)CC[C@H](C)NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC001472431199 1065058483 /nfs/dbraw/zinc/05/84/83/1065058483.db2.gz RQHITSCDPNTIDD-VIFPVBQESA-N 1 0 360.817 2.820 20 5 FFBDRO COCCC[N@H+](C)CCNc1c2cccc(Cl)c2ncc1[N+](=O)[O-] ZINC001472713315 1065132852 /nfs/dbraw/zinc/13/28/52/1065132852.db2.gz SYUMJVLJUKNCNR-UHFFFAOYSA-N 1 0 352.822 2.599 20 5 FFBDRO O=[N+]([O-])c1ccc(Cl)c(Cl)c1N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC001472895674 1065170354 /nfs/dbraw/zinc/17/03/54/1065170354.db2.gz BUYBLRPOUXIUHI-VXGBXAGGSA-N 1 0 360.241 2.937 20 5 FFBDRO COc1c(O)ccc(C[N@H+](C)CCc2ccc3c(c2)OCO3)c1[N+](=O)[O-] ZINC001474710925 1065587525 /nfs/dbraw/zinc/58/75/25/1065587525.db2.gz XXLBVWQUDNFDFQ-UHFFFAOYSA-N 1 0 360.366 2.712 20 5 FFBDRO O=[N+]([O-])c1ccc2oc(C[NH2+][C@H]3C[C@@](CO)(c4ccccc4)C3)nc2c1 ZINC001474720540 1065589192 /nfs/dbraw/zinc/58/91/92/1065589192.db2.gz XLDPDSQWEYGLAE-DHFPXDALSA-N 1 0 353.378 2.918 20 5 FFBDRO Cc1cc(S(=O)(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)c(F)cc1[N+](=O)[O-] ZINC001475024046 1065676704 /nfs/dbraw/zinc/67/67/04/1065676704.db2.gz ZVBGSJMGWKZQTN-CYBMUJFWSA-N 1 0 373.450 2.537 20 5 FFBDRO C[C@@H]1C[C@H]1n1c([C@H]2C[C@@H]([NH3+])C2)nnc1N(C)Cc1ccccc1[N+](=O)[O-] ZINC001576635086 1078252686 /nfs/dbraw/zinc/25/26/86/1078252686.db2.gz OTFVZZSOBJEYBQ-OEYIWLLWSA-N 1 0 356.430 2.608 20 5 FFBDRO C[C@@H]1[C@H](C)[NH2+]C[C@H](C)N1C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC001576878705 1078284118 /nfs/dbraw/zinc/28/41/18/1078284118.db2.gz IUDGKPMDXDWOOP-SDDRHHMPSA-N 1 0 355.822 2.614 20 5 FFBDRO CCN(C(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC001577643428 1078384952 /nfs/dbraw/zinc/38/49/52/1078384952.db2.gz CMUAWIIZJNFUOJ-LLVKDONJSA-N 1 0 353.444 2.539 20 5 FFBDRO CCc1cc(NC(=O)[C@@H]2CC[C@H](C3CC3)[NH2+]2)c2cc([N+](=O)[O-])ccc2n1 ZINC001578247843 1078454884 /nfs/dbraw/zinc/45/48/84/1078454884.db2.gz BCCNYGQDZUNYPC-WBVHZDCISA-N 1 0 354.410 2.596 20 5 FFBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@@]1(c2ccccc2)C[C@H]([NH3+])C1 ZINC001578478905 1078478951 /nfs/dbraw/zinc/47/89/51/1078478951.db2.gz XSLFMEKIRDJMQX-IRJFHVNHSA-N 1 0 353.422 2.655 20 5 FFBDRO C[NH2+]CCOc1ccccc1C(=O)Nc1cc([N+](=O)[O-])c(F)cc1F ZINC001578715890 1078521720 /nfs/dbraw/zinc/52/17/20/1078521720.db2.gz HFTQKRXUXJKOTK-UHFFFAOYSA-N 1 0 351.309 2.724 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC001579642355 1078653745 /nfs/dbraw/zinc/65/37/45/1078653745.db2.gz BOTYDUBFEHZFQW-IEBWSBKVSA-N 1 0 368.437 2.577 20 5 FFBDRO Cc1nn(C)c(N[C@@H]2CC3(CC[NH2+]CC3)Oc3ccccc32)c1[N+](=O)[O-] ZINC001579891466 1078709093 /nfs/dbraw/zinc/70/90/93/1078709093.db2.gz MSIMAPDUPLCELU-CQSZACIVSA-N 1 0 357.414 2.695 20 5 FFBDRO [NH3+]C1(C(=O)Nc2ccc([N+](=O)[O-])c(Br)c2)CC2(CCC2)C1 ZINC001580139782 1078756340 /nfs/dbraw/zinc/75/63/40/1078756340.db2.gz FIMJLDCZNMFUEN-UHFFFAOYSA-N 1 0 354.204 2.957 20 5 FFBDRO [NH3+][C@@H](CCNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)Cc1ccccc1 ZINC001580127048 1078752385 /nfs/dbraw/zinc/75/23/85/1078752385.db2.gz GZZJWPNCXQNRMF-HNNXBMFYSA-N 1 0 352.394 2.766 20 5 FFBDRO [NH3+][C@@H]1C[C@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C12CCC2 ZINC001580163083 1078758633 /nfs/dbraw/zinc/75/86/33/1078758633.db2.gz KDEYETUCTRGWTK-NEPJUHHUSA-N 1 0 356.329 2.588 20 5 FFBDRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)c1cccc([N+](=O)[O-])c1Br ZINC001580261745 1078777722 /nfs/dbraw/zinc/77/77/22/1078777722.db2.gz IWGSBXVHKOLOHJ-ONGXEEELSA-N 1 0 356.220 2.605 20 5 FFBDRO O=C(NCc1ccccc1[N+](=O)[O-])[C@H]1C[NH2+]C[C@@H]1c1ccc(Cl)cc1 ZINC001580723198 1078851713 /nfs/dbraw/zinc/85/17/13/1078851713.db2.gz GZHZBKJXZIYNEU-CVEARBPZSA-N 1 0 359.813 2.868 20 5 FFBDRO O=[N+]([O-])c1ccc2oc(CN[C@@H]3C[NH2+]CC[C@@H]3c3ccccc3)nc2c1 ZINC001580875599 1078881853 /nfs/dbraw/zinc/88/18/53/1078881853.db2.gz ODYZHZYODCHENX-NVXWUHKLSA-N 1 0 352.394 2.971 20 5 FFBDRO CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)CC1 ZINC001556618373 1075759068 /nfs/dbraw/zinc/75/90/68/1075759068.db2.gz NFARHKJNPQXCMP-UHFFFAOYSA-N 1 0 363.462 2.545 20 5 FFBDRO C[NH+](C)[C@H]1C[C@H](NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1(C)C ZINC001557155787 1075816119 /nfs/dbraw/zinc/81/61/19/1075816119.db2.gz OVUJEZIUJVDFRE-GJZGRUSLSA-N 1 0 369.849 2.862 20 5 FFBDRO C[NH+]1C[C@]2(C)CN(C(=O)CCc3ccc([N+](=O)[O-])cc3Cl)C[C@@]2(C)C1 ZINC001557741022 1075882757 /nfs/dbraw/zinc/88/27/57/1075882757.db2.gz HPZPPJCDDWILFH-QZTJIDSGSA-N 1 0 365.861 2.981 20 5 FFBDRO CC(C)[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC001558767084 1076072605 /nfs/dbraw/zinc/07/26/05/1076072605.db2.gz GGWRXIXBDCTLBT-DOTOQJQBSA-N 1 0 361.442 2.695 20 5 FFBDRO C[C@H](CNC(=O)[C@H]1CCN(c2cc[nH+]cc2)C1)c1ccccc1[N+](=O)[O-] ZINC001559039382 1076118978 /nfs/dbraw/zinc/11/89/78/1076118978.db2.gz VICUEIUAJZKGSY-CABCVRRESA-N 1 0 354.410 2.736 20 5 FFBDRO C[C@H](Nc1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC001559109483 1076126273 /nfs/dbraw/zinc/12/62/73/1076126273.db2.gz USHPRFDKOQURLJ-NSHDSACASA-N 1 0 361.402 2.861 20 5 FFBDRO O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1N1CC[NH2+]C2(CCCCC2)C1 ZINC001559285236 1076146120 /nfs/dbraw/zinc/14/61/20/1076146120.db2.gz GSPLAEBJMVMHFP-UHFFFAOYSA-N 1 0 358.442 2.600 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+](CCCO)[C@@H]1CCCc2ccccc21 ZINC001559573187 1076174393 /nfs/dbraw/zinc/17/43/93/1076174393.db2.gz YWAKTLLSQMPSFH-GOSISDBHSA-N 1 0 358.442 2.862 20 5 FFBDRO O=C(C[NH+]1CCCCCCCC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001559841305 1076195797 /nfs/dbraw/zinc/19/57/97/1076195797.db2.gz FRUDAVBNGNAKLS-UHFFFAOYSA-N 1 0 374.485 2.900 20 5 FFBDRO Cc1n[nH]cc1CN(C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC001560053792 1076218382 /nfs/dbraw/zinc/21/83/82/1076218382.db2.gz JYDYOKPSTAJCQQ-JTQLQIEISA-N 1 0 351.794 2.739 20 5 FFBDRO Cc1ccc(C[N@@H+](C)C[C@H](O)CN(C)C(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC001560071540 1076222005 /nfs/dbraw/zinc/22/20/05/1076222005.db2.gz JHILORPENZPPOI-HNNXBMFYSA-N 1 0 367.446 2.563 20 5 FFBDRO NC(=O)c1ccc(C[N@@H+]2CCCC[C@@H]2Cc2ccc(O)cc2)c([N+](=O)[O-])c1 ZINC001560217032 1076248301 /nfs/dbraw/zinc/24/83/01/1076248301.db2.gz PIALFCBDRYYIPL-QGZVFWFLSA-N 1 0 369.421 2.997 20 5 FFBDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)cc1[N+](=O)[O-] ZINC001560594248 1076282893 /nfs/dbraw/zinc/28/28/93/1076282893.db2.gz GYAPJKXXCYSSDI-TZMCWYRMSA-N 1 0 365.430 2.948 20 5 FFBDRO CCOc1cc(N2CC[NH+](C[C@](C)(OC)C3CC3)CC2)ccc1[N+](=O)[O-] ZINC001560801693 1076301031 /nfs/dbraw/zinc/30/10/31/1076301031.db2.gz WPSISVJEAHVRHS-IBGZPJMESA-N 1 0 363.458 2.931 20 5 FFBDRO Cc1cc(S(=O)(=O)NCC(C)(C)[NH+]2CCCCC2)c(C)cc1[N+](=O)[O-] ZINC001561097919 1076332291 /nfs/dbraw/zinc/33/22/91/1076332291.db2.gz SDWOIZCVAONPBX-UHFFFAOYSA-N 1 0 369.487 2.754 20 5 FFBDRO C[N@H+](CC/C=C\c1ccccc1)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001567746938 1077050607 /nfs/dbraw/zinc/05/06/07/1077050607.db2.gz RKBMDRCBMOQZHQ-GCDVTEQJSA-N 1 0 371.481 2.926 20 5 FFBDRO CN(CC(C)(C)C[NH2+]Cc1ccc(C(F)F)cc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001570673380 1077220966 /nfs/dbraw/zinc/22/09/66/1077220966.db2.gz AIHNQVHLJKSIMZ-HUUCEWRRSA-N 1 0 369.412 2.864 20 5 FFBDRO CC[N@H+]1[C@H](C)CN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C[C@@H]1C ZINC001570899663 1077240521 /nfs/dbraw/zinc/24/05/21/1077240521.db2.gz AMEBTJIDHNJPOY-PHIMTYICSA-N 1 0 370.247 2.912 20 5 FFBDRO Cc1n[nH]c(C(=O)N[C@H]2CCCCC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC001587149031 1079746240 /nfs/dbraw/zinc/74/62/40/1079746240.db2.gz HBMUHJWYHVGBCA-INIZCTEOSA-N 1 0 371.441 2.801 20 5 FFBDRO C[C@@H]([NH2+][C@@H]1Cc2ccc(-c3nn[nH]n3)cc2C1)c1c(F)cccc1[N+](=O)[O-] ZINC001589953531 1080900499 /nfs/dbraw/zinc/90/04/99/1080900499.db2.gz FSUJXDIZRNQVGO-QMTHXVAHSA-N 1 0 368.372 2.732 20 5 FFBDRO C[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)c(Cl)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC001589966843 1080909043 /nfs/dbraw/zinc/90/90/43/1080909043.db2.gz BCMJUIOVQRMSGR-SECBINFHSA-N 1 0 373.804 2.861 20 5 FFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)C[C@H](O)c1cccc(-c2nn[nH]n2)c1 ZINC001590050730 1080978988 /nfs/dbraw/zinc/97/89/88/1080978988.db2.gz OMVDNBFKSNMSAH-PXAZEXFGSA-N 1 0 368.397 2.501 20 5 FFBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC=C(c2ccc(Cl)nc2)CC1 ZINC000375004585 512114791 /nfs/dbraw/zinc/11/47/91/512114791.db2.gz NOKIHGLOTGDHQF-UHFFFAOYSA-N 1 0 360.801 2.594 20 5 FFBDRO Nc1ccc(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000027939334 249346059 /nfs/dbraw/zinc/34/60/59/249346059.db2.gz XVPJTVWKGYCNKT-UHFFFAOYSA-N 1 0 368.437 2.614 20 5 FFBDRO CCCC(=O)NC[C@@H]1CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000101911968 250092941 /nfs/dbraw/zinc/09/29/41/250092941.db2.gz UMOPWLZBHRXYIO-INIZCTEOSA-N 1 0 363.458 2.992 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)c(Cl)c1 ZINC000106891456 250297110 /nfs/dbraw/zinc/29/71/10/250297110.db2.gz KMNCGBLZVOKQAA-NSHDSACASA-N 1 0 373.862 2.543 20 5 FFBDRO COc1cc(N2CCC(OCCC[NH+](C)C)CC2)c(F)cc1[N+](=O)[O-] ZINC000119807339 250512054 /nfs/dbraw/zinc/51/20/54/250512054.db2.gz QFCBDNOPBYCSRY-UHFFFAOYSA-N 1 0 355.410 2.680 20 5 FFBDRO CC1CC[NH+](C[C@H]2CCCN(C(=O)CNc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000131979698 251035821 /nfs/dbraw/zinc/03/58/21/251035821.db2.gz MEKRLTBXAVXLTE-QGZVFWFLSA-N 1 0 374.485 2.977 20 5 FFBDRO CNS(=O)(=O)c1cccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000132005145 251036616 /nfs/dbraw/zinc/03/66/16/251036616.db2.gz RNBXGJIDJMXYMY-ZDUSSCGKSA-N 1 0 363.439 2.662 20 5 FFBDRO O=C(Nc1ccc(CN2CCOCC2)cc1)c1cc(F)ccc1[N+](=O)[O-] ZINC000132484909 251062475 /nfs/dbraw/zinc/06/24/75/251062475.db2.gz YODQSSCWOMWDBF-UHFFFAOYSA-N 1 0 359.357 2.818 20 5 FFBDRO O=C(NCC[C@H]1CCC[NH2+]C1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000152841145 251075250 /nfs/dbraw/zinc/07/52/50/251075250.db2.gz CAELMZXTPHNEBM-GFCCVEGCSA-N 1 0 360.439 2.838 20 5 FFBDRO CC[C@@](C)([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1nccs1 ZINC000173515734 251196773 /nfs/dbraw/zinc/19/67/73/251196773.db2.gz CFBCHQRINPLTSK-XJKSGUPXSA-N 1 0 351.428 2.706 20 5 FFBDRO COCc1cc([N+](=O)[O-])ccc1NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000181144224 251247916 /nfs/dbraw/zinc/24/79/16/251247916.db2.gz YUVIOUJOIVICFJ-LJQANCHMSA-N 1 0 371.437 2.920 20 5 FFBDRO NC(=O)c1ccc(C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000181183961 251254077 /nfs/dbraw/zinc/25/40/77/251254077.db2.gz PZFVUFMVGXKASO-KSSFIOAISA-N 1 0 369.421 2.951 20 5 FFBDRO C[C@@H]1C[N@@H+](CCC2CCN(c3ncc([N+](=O)[O-])s3)CC2)C[C@H](C)O1 ZINC000192479749 251276949 /nfs/dbraw/zinc/27/69/49/251276949.db2.gz QYTQWASVUHOEIH-BETUJISGSA-N 1 0 354.476 2.767 20 5 FFBDRO Cc1ccc(NCCCNC(=O)[C@](C)([NH3+])c2ccccc2)c([N+](=O)[O-])c1 ZINC000192492586 251279346 /nfs/dbraw/zinc/27/93/46/251279346.db2.gz KAYSHNNLXALUEB-LJQANCHMSA-N 1 0 356.426 2.696 20 5 FFBDRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)nc2)CC1 ZINC000268771685 251379896 /nfs/dbraw/zinc/37/98/96/251379896.db2.gz SIXGLAKSPJCQDT-UHFFFAOYSA-N 1 0 369.425 2.773 20 5 FFBDRO Cn1ccnc1[C@@H](NCCC[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000272486463 252049945 /nfs/dbraw/zinc/04/99/45/252049945.db2.gz DAQXMCMMENPWAO-SFHVURJKSA-N 1 0 357.458 2.883 20 5 FFBDRO C[C@@H]1CCC[N@H+](CCN[C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000272576462 252072028 /nfs/dbraw/zinc/07/20/28/252072028.db2.gz XGPLEQZJHZAMMJ-QAPCUYQASA-N 1 0 357.458 2.739 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)c1C ZINC000272514338 252056903 /nfs/dbraw/zinc/05/69/03/252056903.db2.gz MXTYZUALSQMCPO-CQSZACIVSA-N 1 0 369.487 2.562 20 5 FFBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000272569945 252070866 /nfs/dbraw/zinc/07/08/66/252070866.db2.gz TULDXKIZZVSERX-WFASDCNBSA-N 1 0 368.865 2.772 20 5 FFBDRO COc1ccc(NC(=O)NC2CC[NH+](C(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000272822742 252140139 /nfs/dbraw/zinc/14/01/39/252140139.db2.gz LKXUTKRZUOTEMX-UHFFFAOYSA-N 1 0 350.419 2.988 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000272843407 252144568 /nfs/dbraw/zinc/14/45/68/252144568.db2.gz NJAFBLDASWGZEO-STQMWFEESA-N 1 0 363.439 2.962 20 5 FFBDRO Cc1cc(N2CCN(c3cccnn3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272866684 252152052 /nfs/dbraw/zinc/15/20/52/252152052.db2.gz RRTQXWFIXXSGEN-UHFFFAOYSA-N 1 0 350.382 2.568 20 5 FFBDRO COc1cc(C(=O)NCC[C@@H](C)[NH+]2CCCCC2)cc([N+](=O)[O-])c1OC ZINC000273207994 252251580 /nfs/dbraw/zinc/25/15/80/252251580.db2.gz JLFJFCABORFLOM-CYBMUJFWSA-N 1 0 365.430 2.606 20 5 FFBDRO C[C@H](CSC(C)(C)C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000273419821 252303630 /nfs/dbraw/zinc/30/36/30/252303630.db2.gz JCXDACIFDRCURP-GFCCVEGCSA-N 1 0 360.501 2.878 20 5 FFBDRO Cc1nn(C)c(-c2nc(-c3ccc(C[NH+]4CCCC4)cc3)no2)c1[N+](=O)[O-] ZINC000273745268 255784832 /nfs/dbraw/zinc/78/48/32/255784832.db2.gz PCBNCWVDCDDYPI-UHFFFAOYSA-N 1 0 368.397 2.950 20 5 FFBDRO CNC(=O)c1ccc(NCc2ccc(CC[NH+](C)C)cc2)c([N+](=O)[O-])c1 ZINC000276293492 256087482 /nfs/dbraw/zinc/08/74/82/256087482.db2.gz KDIFRFXIOJSJDU-UHFFFAOYSA-N 1 0 356.426 2.671 20 5 FFBDRO C[NH+](C)CCc1ccc(Nc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)cc1 ZINC000276331061 256090548 /nfs/dbraw/zinc/09/05/48/256090548.db2.gz RGSJBYYSLDBQQD-UHFFFAOYSA-N 1 0 363.439 2.846 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000276360936 256092768 /nfs/dbraw/zinc/09/27/68/256092768.db2.gz AIVYBNGNTLRALK-OAHLLOKOSA-N 1 0 364.446 2.570 20 5 FFBDRO COc1cc(C[NH2+]CCOCC(F)F)c([N+](=O)[O-])cc1OCC(F)F ZINC000276706540 256123591 /nfs/dbraw/zinc/12/35/91/256123591.db2.gz UYIOWOVLPVWYSZ-UHFFFAOYSA-N 1 0 370.299 2.619 20 5 FFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C1CCN(c2cccnn2)CC1 ZINC000277015268 256152343 /nfs/dbraw/zinc/15/23/43/256152343.db2.gz CJZQAGWAWZRFNS-HNNXBMFYSA-N 1 0 355.442 2.965 20 5 FFBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000277282062 256180159 /nfs/dbraw/zinc/18/01/59/256180159.db2.gz NJLUPTMEXWYBMW-ZDUSSCGKSA-N 1 0 370.247 2.914 20 5 FFBDRO Cc1c(C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000277650085 256222203 /nfs/dbraw/zinc/22/22/03/256222203.db2.gz YVTOUJOIAKQFFO-CYBMUJFWSA-N 1 0 362.386 2.558 20 5 FFBDRO C[C@H]1C[N@H+](CCCNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CCCO1 ZINC000277741397 256233965 /nfs/dbraw/zinc/23/39/65/256233965.db2.gz YCYWFUPCNGAWDP-ZDUSSCGKSA-N 1 0 361.398 2.572 20 5 FFBDRO Cc1cc(N2CCCC[C@@H](S(C)(=O)=O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000277828527 256244841 /nfs/dbraw/zinc/24/48/41/256244841.db2.gz JPTBDNTZBJWOMX-CQSZACIVSA-N 1 0 363.439 2.855 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(N3CCOCC3)nc1)CCC2 ZINC000278151805 256282003 /nfs/dbraw/zinc/28/20/03/256282003.db2.gz AHGNPCXGTWCVNJ-IBGZPJMESA-N 1 0 368.437 2.994 20 5 FFBDRO COCCOCCOCCC[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279141389 256385997 /nfs/dbraw/zinc/38/59/97/256385997.db2.gz RZEFGMAVNXEKGR-SFHVURJKSA-N 1 0 366.458 2.977 20 5 FFBDRO COC[C@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H]1CCCO1 ZINC000279092581 256380925 /nfs/dbraw/zinc/38/09/25/256380925.db2.gz PNEDYPUYBIQMHM-HOTGVXAUSA-N 1 0 361.398 2.576 20 5 FFBDRO C[NH+](C)[C@@H]1CCCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000280462654 256520996 /nfs/dbraw/zinc/52/09/96/256520996.db2.gz MLVFINPDCOKPDG-GFCCVEGCSA-N 1 0 357.813 2.873 20 5 FFBDRO Nc1ccc(NCc2ccccc2OCCN2CCOCC2)c([N+](=O)[O-])c1 ZINC000286091194 257019652 /nfs/dbraw/zinc/01/96/52/257019652.db2.gz DWTNTQXBPKRADJ-UHFFFAOYSA-N 1 0 372.425 2.500 20 5 FFBDRO COC(=O)c1cc(C)nc(N2CCC([NH+]3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000286253035 257028009 /nfs/dbraw/zinc/02/80/09/257028009.db2.gz IVEUDQJSPDNDTE-UHFFFAOYSA-N 1 0 362.430 2.540 20 5 FFBDRO COC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000286305657 257030363 /nfs/dbraw/zinc/03/03/63/257030363.db2.gz CQIJJNHLYZBDLX-CQSZACIVSA-N 1 0 362.304 2.531 20 5 FFBDRO CC(C)NC(=O)c1ccc(N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000286447005 257037730 /nfs/dbraw/zinc/03/77/30/257037730.db2.gz SZXMXZFOOUIZGG-GOEBONIOSA-N 1 0 360.458 2.796 20 5 FFBDRO CNC(=O)CC[C@H]1CCCC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000286581709 257044097 /nfs/dbraw/zinc/04/40/97/257044097.db2.gz VFVPEUMNTSMHBX-CQSZACIVSA-N 1 0 373.413 2.526 20 5 FFBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000287222350 257078311 /nfs/dbraw/zinc/07/83/11/257078311.db2.gz QGURHYJOKBWVQF-YOEHRIQHSA-N 1 0 356.426 2.635 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]([C@H](C)CO)C1CCCC1 ZINC000287786493 257112607 /nfs/dbraw/zinc/11/26/07/257112607.db2.gz NRAWJEAYGQTUCI-CYBMUJFWSA-N 1 0 365.430 2.557 20 5 FFBDRO COc1ccc(OCC[N@@H+]2CC[C@H](OCc3ccncc3)C2)c([N+](=O)[O-])c1 ZINC000287826521 257117974 /nfs/dbraw/zinc/11/79/74/257117974.db2.gz PYPNKAZRDVMLCO-KRWDZBQOSA-N 1 0 373.409 2.668 20 5 FFBDRO COCC[N@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)Cc1ccccn1 ZINC000287496953 257092589 /nfs/dbraw/zinc/09/25/89/257092589.db2.gz TWIOWUQYJUZDBZ-UHFFFAOYSA-N 1 0 372.425 2.775 20 5 FFBDRO O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000289283478 257271327 /nfs/dbraw/zinc/27/13/27/257271327.db2.gz QLBXXSZYWBFJBW-FQEVSTJZSA-N 1 0 372.469 2.801 20 5 FFBDRO COc1ccc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])c(OC)c1OC ZINC000289810617 257300572 /nfs/dbraw/zinc/30/05/72/257300572.db2.gz NNKCUDQCMJJOLT-UHFFFAOYSA-N 1 0 361.398 2.586 20 5 FFBDRO COc1cc(C[NH2+]C[C@]2(CO)C[C@H]2c2ccccc2)c([N+](=O)[O-])cc1O ZINC000289979824 257309554 /nfs/dbraw/zinc/30/95/54/257309554.db2.gz WULFQVDNYBIHKK-KXBFYZLASA-N 1 0 358.394 2.565 20 5 FFBDRO NC(=O)c1ccnc(NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000290542341 257340338 /nfs/dbraw/zinc/34/03/38/257340338.db2.gz INRMIIRZZOFURD-HNNXBMFYSA-N 1 0 369.425 2.555 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)c1 ZINC000291726418 257419274 /nfs/dbraw/zinc/41/92/74/257419274.db2.gz HXIJLSLYPDYSSF-RDTXWAMCSA-N 1 0 369.421 2.996 20 5 FFBDRO COCCCN(C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)C1CC[NH+](C)CC1 ZINC000291281347 257395477 /nfs/dbraw/zinc/39/54/77/257395477.db2.gz SACARZLAPBDLFH-UHFFFAOYSA-N 1 0 374.441 2.649 20 5 FFBDRO C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCS1(=O)=O ZINC000293876685 257565044 /nfs/dbraw/zinc/56/50/44/257565044.db2.gz JJLQEGNGYUKDDO-FZMZJTMJSA-N 1 0 366.464 2.989 20 5 FFBDRO O=[N+]([O-])c1ccc(NCCCC[NH+]2CCOCC2)c(Br)c1 ZINC000301346675 258043827 /nfs/dbraw/zinc/04/38/27/258043827.db2.gz ICMOYBYDDJFRGD-UHFFFAOYSA-N 1 0 358.236 2.882 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000302195417 258094039 /nfs/dbraw/zinc/09/40/39/258094039.db2.gz SIKKGOJPXNILNB-ZBFHGGJFSA-N 1 0 359.426 2.835 20 5 FFBDRO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)C1CCCCC1 ZINC000302669676 258107423 /nfs/dbraw/zinc/10/74/23/258107423.db2.gz QYPXBEDPCKNYBK-MRXNPFEDSA-N 1 0 369.487 2.921 20 5 FFBDRO C[C@@H]1C[NH+](CCCCNc2nc3sccn3c2[N+](=O)[O-])C[C@@H](C)O1 ZINC000301551685 258055494 /nfs/dbraw/zinc/05/54/94/258055494.db2.gz HCOCEWJQSCPFSS-VXGBXAGGSA-N 1 0 353.448 2.605 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000301826055 258069634 /nfs/dbraw/zinc/06/96/34/258069634.db2.gz OUROXKIQARQIPY-CQSZACIVSA-N 1 0 354.838 2.724 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(NC[C@@H]2C[C@@H](O)CN2Cc2ccccc2)c(F)c1 ZINC000301888841 258072861 /nfs/dbraw/zinc/07/28/61/258072861.db2.gz RWGWIVXSUUFPOM-LSDHHAIUSA-N 1 0 363.364 2.920 20 5 FFBDRO C[NH+](C)CC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000330816427 258171388 /nfs/dbraw/zinc/17/13/88/258171388.db2.gz BZGGLNJADXWSAG-UHFFFAOYSA-N 1 0 370.247 2.771 20 5 FFBDRO CC[NH+]1C[C@H](C)N(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C1 ZINC000330858435 258172189 /nfs/dbraw/zinc/17/21/89/258172189.db2.gz TUTXAFPTOUMJMD-RYUDHWBXSA-N 1 0 354.838 2.601 20 5 FFBDRO CCc1n[nH]c(C(=O)N(C)C(C)(C)C[NH+]2CCCCCC2)c1[N+](=O)[O-] ZINC000331436384 258186033 /nfs/dbraw/zinc/18/60/33/258186033.db2.gz CVSRZNVVGZQHNV-UHFFFAOYSA-N 1 0 351.451 2.607 20 5 FFBDRO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000331570115 258191314 /nfs/dbraw/zinc/19/13/14/258191314.db2.gz PTRRBQQOVBXQKE-LLVKDONJSA-N 1 0 353.369 2.549 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000332547192 258234834 /nfs/dbraw/zinc/23/48/34/258234834.db2.gz NNGJUNVARGBUOF-RDJZCZTQSA-N 1 0 362.430 2.653 20 5 FFBDRO Cn1cc(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c(C(F)(F)F)n1 ZINC000331687426 258196516 /nfs/dbraw/zinc/19/65/16/258196516.db2.gz XUSOVZSJPYUTOF-RYUDHWBXSA-N 1 0 372.351 2.817 20 5 FFBDRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000409951890 512174003 /nfs/dbraw/zinc/17/40/03/512174003.db2.gz WUNALBHUJZYHMC-INIZCTEOSA-N 1 0 366.421 2.979 20 5 FFBDRO CCN(C(=O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)C1CCCCC1 ZINC000373239091 512235747 /nfs/dbraw/zinc/23/57/47/512235747.db2.gz BMMRBEQWMSBHOW-UHFFFAOYSA-N 1 0 363.462 2.609 20 5 FFBDRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000065931449 506396603 /nfs/dbraw/zinc/39/66/03/506396603.db2.gz ZQMIYERGJRPRAW-UHFFFAOYSA-N 1 0 374.416 2.736 20 5 FFBDRO CC1(C)CC(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC(C)(C)[NH2+]1 ZINC000066042981 506414252 /nfs/dbraw/zinc/41/42/52/506414252.db2.gz NRYOXBUMPJIQTA-UHFFFAOYSA-N 1 0 358.442 2.975 20 5 FFBDRO C[C@@]1(CNC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CCC[NH2+]C1 ZINC000415691736 513382910 /nfs/dbraw/zinc/38/29/10/513382910.db2.gz GDNWJQUVRPIGKB-CQSZACIVSA-N 1 0 371.235 2.869 20 5 FFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000371241209 512285429 /nfs/dbraw/zinc/28/54/29/512285429.db2.gz BXDSDVHBAXWBER-BBRMVZONSA-N 1 0 351.834 2.781 20 5 FFBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000066921862 506696017 /nfs/dbraw/zinc/69/60/17/506696017.db2.gz WGKXSGNKZJCFOW-IBGZPJMESA-N 1 0 353.422 2.918 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000043121917 506703339 /nfs/dbraw/zinc/70/33/39/506703339.db2.gz JUZHBYRYQGDFFC-UHFFFAOYSA-N 1 0 370.409 2.783 20 5 FFBDRO O=C(NC1CC[NH+](C2CC2)CC1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000009906203 506717153 /nfs/dbraw/zinc/71/71/53/506717153.db2.gz RPYFYDOSCWUAHC-UHFFFAOYSA-N 1 0 372.469 2.554 20 5 FFBDRO CC[NH+](CC)[C@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]1)c1cccc(OC)c1 ZINC000055291301 506720532 /nfs/dbraw/zinc/72/05/32/506720532.db2.gz NTXQDILLARGCCX-QGZVFWFLSA-N 1 0 360.414 2.744 20 5 FFBDRO C[C@H](CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)[NH+]1CCC(C)CC1 ZINC000067270468 506811471 /nfs/dbraw/zinc/81/14/71/506811471.db2.gz GPRXGWYHDOFNHY-OAHLLOKOSA-N 1 0 371.441 2.631 20 5 FFBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000055758182 506843762 /nfs/dbraw/zinc/84/37/62/506843762.db2.gz WRTQEDKRWLTJSM-FRRDWIJNSA-N 1 0 359.430 2.567 20 5 FFBDRO C[C@@H]1CCCC[N@@H+]1CCNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000067383029 506854091 /nfs/dbraw/zinc/85/40/91/506854091.db2.gz SAEJBSZWRSGASK-CQSZACIVSA-N 1 0 371.441 2.846 20 5 FFBDRO C[C@@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc2c(c1)OCO2 ZINC000067452214 506886934 /nfs/dbraw/zinc/88/69/34/506886934.db2.gz HAQUUDHGPZPEBU-MLGOLLRUSA-N 1 0 369.377 2.780 20 5 FFBDRO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CC[NH+](C2CCCC2)CC1 ZINC000045083485 506916518 /nfs/dbraw/zinc/91/65/18/506916518.db2.gz IQCUNXMSFZRDCA-UHFFFAOYSA-N 1 0 358.442 2.870 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)c1 ZINC000067547773 506922551 /nfs/dbraw/zinc/92/25/51/506922551.db2.gz BOTUMENLHODHRW-UHFFFAOYSA-N 1 0 369.421 2.782 20 5 FFBDRO O=[N+]([O-])c1ccccc1CN1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000067714911 506987430 /nfs/dbraw/zinc/98/74/30/506987430.db2.gz WKXKVHWBFVSXAU-UHFFFAOYSA-N 1 0 361.364 2.681 20 5 FFBDRO COc1ccc(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000067790231 507009285 /nfs/dbraw/zinc/00/92/85/507009285.db2.gz FUUQCKTVXYLPPN-KRWDZBQOSA-N 1 0 357.410 2.565 20 5 FFBDRO C[NH+](C)[C@@H](CNC(=O)CCOc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000067787105 507009370 /nfs/dbraw/zinc/00/93/70/507009370.db2.gz DXPCVAPCFJAVEN-QGZVFWFLSA-N 1 0 371.437 2.653 20 5 FFBDRO Cc1c(NC(=O)CCN2CC[NH+](C3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000045768847 507016289 /nfs/dbraw/zinc/01/62/89/507016289.db2.gz HFYUETKISFZOTG-UHFFFAOYSA-N 1 0 360.458 2.792 20 5 FFBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000067831612 507020380 /nfs/dbraw/zinc/02/03/80/507020380.db2.gz ZUXNVKBDEJVSDL-AWEZNQCLSA-N 1 0 371.441 2.970 20 5 FFBDRO COc1ccc(CC(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000067907113 507048693 /nfs/dbraw/zinc/04/86/93/507048693.db2.gz UEFMTKSYHDXCSH-HNNXBMFYSA-N 1 0 363.458 2.774 20 5 FFBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCCc3c2cnn3CCO)cc1[N+](=O)[O-] ZINC000371312581 512322483 /nfs/dbraw/zinc/32/24/83/512322483.db2.gz FWBCCMKDBJMGCI-CZUORRHYSA-N 1 0 374.441 2.911 20 5 FFBDRO CN1CC[NH+](CC2CCN(c3ccc([N+](=O)[O-])c4cnccc43)CC2)CC1 ZINC000057151563 507186549 /nfs/dbraw/zinc/18/65/49/507186549.db2.gz ZFCFNYXCVUOJCF-UHFFFAOYSA-N 1 0 369.469 2.607 20 5 FFBDRO CCCC[NH+]1CCC(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000068442498 507235428 /nfs/dbraw/zinc/23/54/28/507235428.db2.gz BWQLKLXELDEZAO-UHFFFAOYSA-N 1 0 371.441 2.775 20 5 FFBDRO CC[N@H+](C)[C@H](C(=O)NCCOc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000068519825 507253661 /nfs/dbraw/zinc/25/36/61/507253661.db2.gz DRYKDIKYMPXBGW-SFHVURJKSA-N 1 0 357.410 2.783 20 5 FFBDRO CC[N@H+](C)[C@@H](C(=O)NCCOc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000068519827 507254191 /nfs/dbraw/zinc/25/41/91/507254191.db2.gz DRYKDIKYMPXBGW-GOSISDBHSA-N 1 0 357.410 2.783 20 5 FFBDRO CC[NH+](CC)[C@@H](CNC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000057480691 507276513 /nfs/dbraw/zinc/27/65/13/507276513.db2.gz CYONIVITHWRBQM-INIZCTEOSA-N 1 0 361.398 2.766 20 5 FFBDRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000069124245 507414366 /nfs/dbraw/zinc/41/43/66/507414366.db2.gz NDBSOTFAHVIXPB-OAHLLOKOSA-N 1 0 367.471 2.542 20 5 FFBDRO O=C(CC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1)Nc1cccc(F)c1 ZINC000024897072 507447116 /nfs/dbraw/zinc/44/71/16/507447116.db2.gz MBHIPUGBIQMTII-UHFFFAOYSA-N 1 0 372.400 2.885 20 5 FFBDRO C[C@@H](CNC(=O)COc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCc2ccccc2C1 ZINC000025631839 507517753 /nfs/dbraw/zinc/51/77/53/507517753.db2.gz YRMBRTZAXOMTOG-HNNXBMFYSA-N 1 0 369.421 2.537 20 5 FFBDRO O=C(CCN1CC[NH+](Cc2ccccc2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000026158294 507563902 /nfs/dbraw/zinc/56/39/02/507563902.db2.gz JSEYRJKNIGIFFD-UHFFFAOYSA-N 1 0 368.437 2.741 20 5 FFBDRO CC[NH+]1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])cn3C)c(C)c2)CC1 ZINC000026909551 507619927 /nfs/dbraw/zinc/61/99/27/507619927.db2.gz GMKPUVVORIVHQV-UHFFFAOYSA-N 1 0 371.441 2.636 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[NH+](CCc2ccccc2)CC1 ZINC000027575906 507666170 /nfs/dbraw/zinc/66/61/70/507666170.db2.gz HBNZBFYSOMGUAQ-UHFFFAOYSA-N 1 0 355.438 2.964 20 5 FFBDRO O=C(CCN1CCC([NH+]2CCCCC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000063516048 507740145 /nfs/dbraw/zinc/74/01/45/507740145.db2.gz NAMQHACHZYJBIB-UHFFFAOYSA-N 1 0 360.458 2.874 20 5 FFBDRO C[C@@H](CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)[NH+]1CCCC1 ZINC000051342877 507763815 /nfs/dbraw/zinc/76/38/15/507763815.db2.gz ZDHDHBLLUAXWGH-LBPRGKRZSA-N 1 0 360.439 2.932 20 5 FFBDRO CC[N@@H+]1CCC[C@H](CNC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)C1 ZINC000063852421 507775691 /nfs/dbraw/zinc/77/56/91/507775691.db2.gz NSZHHTLZMQUUIP-UONOGXRCSA-N 1 0 351.472 2.924 20 5 FFBDRO C[NH+](C)[C@H](CNC(=O)NCCNc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000072487673 507798718 /nfs/dbraw/zinc/79/87/18/507798718.db2.gz NQRWTXXSQIFSBA-GOSISDBHSA-N 1 0 371.441 2.609 20 5 FFBDRO C[C@@H]1C[NH+](Cc2ccc(CNc3c([N+](=O)[O-])ncn3C)cc2)C[C@@H](C)O1 ZINC000030001610 507799678 /nfs/dbraw/zinc/79/96/78/507799678.db2.gz VHKYEUOYNSINSZ-ZIAGYGMSSA-N 1 0 359.430 2.550 20 5 FFBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])Cc1ccc(C(=O)NC2CC2)cc1 ZINC000052561524 507813942 /nfs/dbraw/zinc/81/39/42/507813942.db2.gz RGFNOBDLSJPOGG-UHFFFAOYSA-N 1 0 369.421 2.998 20 5 FFBDRO CC(C)N(C(=O)[C@@H](C)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)C(C)C ZINC000072665252 507840274 /nfs/dbraw/zinc/84/02/74/507840274.db2.gz GPDZTUYYFUHXDI-CABCVRRESA-N 1 0 363.462 2.510 20 5 FFBDRO COc1ccc([C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)N2CCOCC2)cc1 ZINC000072725957 507847867 /nfs/dbraw/zinc/84/78/67/507847867.db2.gz VEASWPILEPYSHC-FQEVSTJZSA-N 1 0 371.437 2.767 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1OC(F)F ZINC000078250013 507849821 /nfs/dbraw/zinc/84/98/21/507849821.db2.gz LNIANTQETWDTRD-ZDUSSCGKSA-N 1 0 371.384 2.745 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000072771426 507851809 /nfs/dbraw/zinc/85/18/09/507851809.db2.gz FKHIWZMUFBATFQ-TXEJJXNPSA-N 1 0 353.444 2.758 20 5 FFBDRO COCc1cc([N+](=O)[O-])ccc1NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000089644386 507853364 /nfs/dbraw/zinc/85/33/64/507853364.db2.gz IQSAFIQKFWUUFE-MOPGFXCFSA-N 1 0 371.437 2.789 20 5 FFBDRO Cc1ccnc(N2CCC([NH2+]CCOc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000078294222 507856991 /nfs/dbraw/zinc/85/69/91/507856991.db2.gz TXYNHPDQIIGEOV-UHFFFAOYSA-N 1 0 356.426 2.936 20 5 FFBDRO C[N@H+](CCCNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000078351872 507863706 /nfs/dbraw/zinc/86/37/06/507863706.db2.gz NZKPRJOQKYCDSZ-UHFFFAOYSA-N 1 0 369.487 2.669 20 5 FFBDRO C[N@@H+]1CCC[C@H](CNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000108333326 507887749 /nfs/dbraw/zinc/88/77/49/507887749.db2.gz JLSSEZRXECCMGJ-GFCCVEGCSA-N 1 0 360.439 2.790 20 5 FFBDRO CCCO[C@@H]1CCC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 ZINC000108392163 507892188 /nfs/dbraw/zinc/89/21/88/507892188.db2.gz XBPBLFLKKLIHLE-QGZVFWFLSA-N 1 0 361.442 2.765 20 5 FFBDRO CC[C@H]([NH2+][C@H](C)C(=O)NC(=O)NC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000090068790 507906320 /nfs/dbraw/zinc/90/63/20/507906320.db2.gz PKHIEPZIUVQCPM-RISCZKNCSA-N 1 0 350.419 2.648 20 5 FFBDRO Cc1c([C@@H](C)[NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)cccc1[N+](=O)[O-] ZINC000090231684 507916218 /nfs/dbraw/zinc/91/62/18/507916218.db2.gz DWBSLAUQOPONFG-CYBMUJFWSA-N 1 0 367.471 2.510 20 5 FFBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[NH+](C3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000079117710 507934107 /nfs/dbraw/zinc/93/41/07/507934107.db2.gz BEJVTGZTBUYPPG-UHFFFAOYSA-N 1 0 362.386 2.512 20 5 FFBDRO Cc1ccc([C@@H](CNC(=O)COc2cccc([N+](=O)[O-])c2)[NH+](C)C)cc1 ZINC000109289888 507952846 /nfs/dbraw/zinc/95/28/46/507952846.db2.gz DQTVCWSEPFBVDM-GOSISDBHSA-N 1 0 357.410 2.701 20 5 FFBDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)CN(C)c2ccccc2[N+](=O)[O-])C1 ZINC000079577090 507977780 /nfs/dbraw/zinc/97/77/80/507977780.db2.gz UTSJBZNBAGUWKP-MRXNPFEDSA-N 1 0 362.474 2.659 20 5 FFBDRO Cn1ccnc1[C@H](O)[C@@H]1CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000092010478 508032690 /nfs/dbraw/zinc/03/26/90/508032690.db2.gz VJLOMMCOTSJHGU-BOYDOFOJSA-N 1 0 356.426 2.787 20 5 FFBDRO CC[C@@H]1CN(c2ccc(Br)cc2[N+](=O)[O-])CC[N@@H+]1C[C@@H](C)O ZINC000110559913 508033362 /nfs/dbraw/zinc/03/33/62/508033362.db2.gz IKYJOVDTVOXMDE-DGCLKSJQSA-N 1 0 372.263 2.639 20 5 FFBDRO O=c1[nH]c2ccccc2cc1C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000111201963 508078119 /nfs/dbraw/zinc/07/81/19/508078119.db2.gz LGJJXOMFDZWWRB-UHFFFAOYSA-N 1 0 364.405 2.759 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCCCCC[NH+]1CCCCC1 ZINC000111357508 508093256 /nfs/dbraw/zinc/09/32/56/508093256.db2.gz DSSGIURWULIXLE-UHFFFAOYSA-N 1 0 369.487 2.838 20 5 FFBDRO C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)c1ccc(-n3ccnc3)c([N+](=O)[O-])c1)C2 ZINC000080714544 508097044 /nfs/dbraw/zinc/09/70/44/508097044.db2.gz DXXYOXIUXSTPLN-MQVJKMGUSA-N 1 0 369.425 2.526 20 5 FFBDRO C[C@@H](CNC(=O)NCc1ccccc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000111458599 508100680 /nfs/dbraw/zinc/10/06/80/508100680.db2.gz IMAVSGMOAQZDIF-HNNXBMFYSA-N 1 0 356.426 2.915 20 5 FFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3cccc(-n4cccn4)c3)C2)nc1 ZINC000093534244 508147369 /nfs/dbraw/zinc/14/73/69/508147369.db2.gz IAYYGOAXTWWLPC-MRXNPFEDSA-N 1 0 364.409 2.862 20 5 FFBDRO CCCC[N@H+](C)CCNC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000112309845 508173270 /nfs/dbraw/zinc/17/32/70/508173270.db2.gz UNEOLNFFJRSEIH-UHFFFAOYSA-N 1 0 355.460 2.787 20 5 FFBDRO C[N@H+](CC1CC1)C[C@H]1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000081632066 508199057 /nfs/dbraw/zinc/19/90/57/508199057.db2.gz BZWGIUILZCKVGB-OAHLLOKOSA-N 1 0 371.441 2.809 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)[C@H](C)C1 ZINC000076486204 508212847 /nfs/dbraw/zinc/21/28/47/508212847.db2.gz ZGTMBFDYOXXZMA-KDOFPFPSSA-N 1 0 371.441 2.583 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)[C@H](C)C1 ZINC000076491684 508213349 /nfs/dbraw/zinc/21/33/49/508213349.db2.gz DGOMFXLTEIGFAL-RDTXWAMCSA-N 1 0 371.441 2.583 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)[C@H](C)C1 ZINC000076490161 508213583 /nfs/dbraw/zinc/21/35/83/508213583.db2.gz DYWIUZWJTYFHGC-KDOFPFPSSA-N 1 0 371.441 2.583 20 5 FFBDRO C[C@H]1C[NH+](CCCCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)O1 ZINC000083028553 508233179 /nfs/dbraw/zinc/23/31/79/508233179.db2.gz GHWFALIZIDJAHT-STQMWFEESA-N 1 0 369.849 2.867 20 5 FFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[NH+](C2CCOCC2)CC1 ZINC000083073924 508235943 /nfs/dbraw/zinc/23/59/43/508235943.db2.gz KYHNPMWHNVTUDG-UHFFFAOYSA-N 1 0 368.821 2.577 20 5 FFBDRO CC(C)CN(C(=O)COc1ccc([N+](=O)[O-])c(F)c1)C1CC[NH+](C)CC1 ZINC000114383267 508309028 /nfs/dbraw/zinc/30/90/28/508309028.db2.gz SWVFDJMUBYAMPG-UHFFFAOYSA-N 1 0 367.421 2.692 20 5 FFBDRO O=C(c1cc(NC2CC[NH+](C3CC3)CC2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000077523931 508327818 /nfs/dbraw/zinc/32/78/18/508327818.db2.gz JEPCFGZMTVPQPH-UHFFFAOYSA-N 1 0 358.442 2.870 20 5 FFBDRO Cc1c(Br)cc(C(=O)N(C)CC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000121775836 508415749 /nfs/dbraw/zinc/41/57/49/508415749.db2.gz SKSGEHTWHPFVGJ-UHFFFAOYSA-N 1 0 370.247 2.834 20 5 FFBDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000133759326 508445303 /nfs/dbraw/zinc/44/53/03/508445303.db2.gz YMHHWPDDPOHYLM-BXUZGUMPSA-N 1 0 352.337 2.964 20 5 FFBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+](C)CC1(O)CCCC1 ZINC000152439288 508446575 /nfs/dbraw/zinc/44/65/75/508446575.db2.gz UFEQIIVZXUQJFZ-NSHDSACASA-N 1 0 355.822 2.812 20 5 FFBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+](C)CC1(O)CCCC1 ZINC000152439385 508446891 /nfs/dbraw/zinc/44/68/91/508446891.db2.gz UFEQIIVZXUQJFZ-LLVKDONJSA-N 1 0 355.822 2.812 20 5 FFBDRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000121987143 508463017 /nfs/dbraw/zinc/46/30/17/508463017.db2.gz LTWLQJWJMRRYPK-WCQYABFASA-N 1 0 355.822 2.745 20 5 FFBDRO C[NH2+][C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)C1 ZINC000133906934 508466823 /nfs/dbraw/zinc/46/68/23/508466823.db2.gz AYPZTVZYECQCOM-HNNXBMFYSA-N 1 0 360.458 2.655 20 5 FFBDRO C[NH+](C)CC[C@H](NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)C(C)(C)C ZINC000116128839 508475258 /nfs/dbraw/zinc/47/52/58/508475258.db2.gz DRWYIXAASULEPH-KRWDZBQOSA-N 1 0 373.457 2.877 20 5 FFBDRO C[C@H]1CCCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H]1C[NH3+] ZINC000156807397 508480568 /nfs/dbraw/zinc/48/05/68/508480568.db2.gz IOEFQIYQKDPSKT-XHDPSFHLSA-N 1 0 360.439 2.918 20 5 FFBDRO Cc1c(Br)cc(C(=O)NCC[NH2+]C(C)(C)C)cc1[N+](=O)[O-] ZINC000156903962 508494706 /nfs/dbraw/zinc/49/47/06/508494706.db2.gz OHHNTOZUSFWWDI-UHFFFAOYSA-N 1 0 358.236 2.784 20 5 FFBDRO C[C@H]([C@@H]1Cc2ccccc2O1)[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000134247194 508513254 /nfs/dbraw/zinc/51/32/54/508513254.db2.gz IRJXCKHXGSZTJB-XIKOKIGWSA-N 1 0 355.394 2.518 20 5 FFBDRO CC[N@H+](CCNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000116749403 508554632 /nfs/dbraw/zinc/55/46/32/508554632.db2.gz WESRGCCVWCIYJG-UHFFFAOYSA-N 1 0 355.822 2.618 20 5 FFBDRO C[C@H](C(=O)NCCc1ccccc1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153200093 508558445 /nfs/dbraw/zinc/55/84/45/508558445.db2.gz DMWRQUPEKQXTNX-OAHLLOKOSA-N 1 0 353.422 2.700 20 5 FFBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000134710207 508561134 /nfs/dbraw/zinc/56/11/34/508561134.db2.gz FWJIVHNCHAKLTL-OAHLLOKOSA-N 1 0 358.442 2.999 20 5 FFBDRO COc1ccccc1[C@H](C)NC(=O)CN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153246286 508562822 /nfs/dbraw/zinc/56/28/22/508562822.db2.gz SENLTJVFXOJVES-AWEZNQCLSA-N 1 0 369.421 2.839 20 5 FFBDRO COc1ccc(-c2ccc(C[NH2+]CCC[S@](C)=O)o2)c([N+](=O)[O-])c1 ZINC000116918689 508571182 /nfs/dbraw/zinc/57/11/82/508571182.db2.gz YLHQLMBIYIDPSV-XMMPIXPASA-N 1 0 352.412 2.722 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000122933066 508609446 /nfs/dbraw/zinc/60/94/46/508609446.db2.gz VDTJTUJMJSIOIE-CYBMUJFWSA-N 1 0 350.419 2.989 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000123075532 508632329 /nfs/dbraw/zinc/63/23/29/508632329.db2.gz SQLWNOYHAUBUCC-UHFFFAOYSA-N 1 0 358.398 2.987 20 5 FFBDRO Cc1cc(C(=O)NCc2cccc(OCC[NH+](C)C)c2)cc([N+](=O)[O-])c1 ZINC000123121027 508640118 /nfs/dbraw/zinc/64/01/18/508640118.db2.gz VJGSBOSGZXLJDT-UHFFFAOYSA-N 1 0 357.410 2.774 20 5 FFBDRO Cc1c(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000123241890 508657152 /nfs/dbraw/zinc/65/71/52/508657152.db2.gz CHVSMVMLXTVHKX-ZWNOBZJWSA-N 1 0 364.402 2.675 20 5 FFBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000123238393 508657389 /nfs/dbraw/zinc/65/73/89/508657389.db2.gz SUEZHBREQWWZIU-HNNXBMFYSA-N 1 0 371.441 2.584 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H]1CCCC[C@@H]1n1cccn1 ZINC000128933680 508660863 /nfs/dbraw/zinc/66/08/63/508660863.db2.gz WAOZLSXXRHUMIO-WBVHZDCISA-N 1 0 357.414 2.812 20 5 FFBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000153938015 508681108 /nfs/dbraw/zinc/68/11/08/508681108.db2.gz FCQCBNLWFDTSHT-QAPCUYQASA-N 1 0 372.469 2.872 20 5 FFBDRO C[NH+](C)CCC1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000118868011 508688566 /nfs/dbraw/zinc/68/85/66/508688566.db2.gz APMUQCSYZXNDHT-UHFFFAOYSA-N 1 0 359.430 2.809 20 5 FFBDRO C[C@H]1C[C@@H](N(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1C ZINC000123493494 508695049 /nfs/dbraw/zinc/69/50/49/508695049.db2.gz UWPVULNMSRNPJZ-RYUDHWBXSA-N 1 0 354.838 2.601 20 5 FFBDRO C[NH+](C)[C@@H](CNC(=O)NCCc1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000136917705 508724554 /nfs/dbraw/zinc/72/45/54/508724554.db2.gz LYRIDWVJEUDMLJ-LJQANCHMSA-N 1 0 370.453 2.609 20 5 FFBDRO O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000158975199 508776061 /nfs/dbraw/zinc/77/60/61/508776061.db2.gz VZECBQIPDJMGAF-QGZVFWFLSA-N 1 0 358.423 2.544 20 5 FFBDRO O=C(CCN1CC[NH+](C2CCCCC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000141818332 508818498 /nfs/dbraw/zinc/81/84/98/508818498.db2.gz PDNQNDGPIFGKHS-UHFFFAOYSA-N 1 0 360.458 2.874 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[NH+](C2CCCCC2)CC1 ZINC000141780324 508819088 /nfs/dbraw/zinc/81/90/88/508819088.db2.gz IICOVYXYPCYMHN-UHFFFAOYSA-N 1 0 360.458 2.792 20 5 FFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000141865747 508819366 /nfs/dbraw/zinc/81/93/66/508819366.db2.gz ODKUKHUZIWCBGV-OAHLLOKOSA-N 1 0 360.458 2.872 20 5 FFBDRO O=C(Cn1cnc([N+](=O)[O-])n1)Nc1ccc2[nH]c(C3CCCCC3)nc2c1 ZINC000154619359 508820068 /nfs/dbraw/zinc/82/00/68/508820068.db2.gz JAKNQVLBPGZSSS-UHFFFAOYSA-N 1 0 369.385 2.749 20 5 FFBDRO C[NH+](C)CCCOc1ccc(CNc2ccc3ncc([N+](=O)[O-])n3n2)cc1 ZINC000159299427 508821487 /nfs/dbraw/zinc/82/14/87/508821487.db2.gz FUUHEFQNOGFKLS-UHFFFAOYSA-N 1 0 370.413 2.580 20 5 FFBDRO Cc1c(CC(=O)NCc2cccc(OCC[NH+](C)C)c2)cccc1[N+](=O)[O-] ZINC000119674754 508842104 /nfs/dbraw/zinc/84/21/04/508842104.db2.gz RJVMRTNXLKHLMT-UHFFFAOYSA-N 1 0 371.437 2.703 20 5 FFBDRO C[C@@H](CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000148595939 508864571 /nfs/dbraw/zinc/86/45/71/508864571.db2.gz RDYRDTDQBLKMNI-CABCVRRESA-N 1 0 371.441 2.631 20 5 FFBDRO CCC[C@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC[N@@H+]1CCOC ZINC000154857399 508870544 /nfs/dbraw/zinc/87/05/44/508870544.db2.gz HMMONBSMBJIFBS-INIZCTEOSA-N 1 0 350.419 2.559 20 5 FFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](CCOC)CC1 ZINC000119993893 508905917 /nfs/dbraw/zinc/90/59/17/508905917.db2.gz OYNUIIUFBVYCJC-UHFFFAOYSA-N 1 0 367.471 2.547 20 5 FFBDRO C[NH+](C)Cc1cc(CNC(=O)Cc2ccc([N+](=O)[O-])cc2F)ccc1F ZINC000155037651 508909109 /nfs/dbraw/zinc/90/91/09/508909109.db2.gz DKRXQPFITOQOAH-UHFFFAOYSA-N 1 0 363.364 2.794 20 5 FFBDRO CN(CCS(C)(=O)=O)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000155149730 508934709 /nfs/dbraw/zinc/93/47/09/508934709.db2.gz QYSYNMKNEXXDAI-UHFFFAOYSA-N 1 0 354.453 2.800 20 5 FFBDRO CNC(=O)c1ccc(N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000160230098 508957693 /nfs/dbraw/zinc/95/76/93/508957693.db2.gz IKQPPQZZDLMUAT-KDOFPFPSSA-N 1 0 368.437 2.887 20 5 FFBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)C[NH+]1CCCCC1 ZINC000125330086 508966821 /nfs/dbraw/zinc/96/68/21/508966821.db2.gz LEGLLUGSODKNME-AWEZNQCLSA-N 1 0 356.426 2.995 20 5 FFBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CCOCC1 ZINC000125468469 508987508 /nfs/dbraw/zinc/98/75/08/508987508.db2.gz LDVXVUCUERZHND-MNOVXSKESA-N 1 0 355.822 2.980 20 5 FFBDRO O=C(Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1ccc([N+](=O)[O-])o1 ZINC000120755589 509058441 /nfs/dbraw/zinc/05/84/41/509058441.db2.gz LEKPMWKQZVIXDZ-UHFFFAOYSA-N 1 0 359.382 2.644 20 5 FFBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000120827835 509071780 /nfs/dbraw/zinc/07/17/80/509071780.db2.gz ZDGBXKCOGHHJMF-SNVBAGLBSA-N 1 0 358.236 2.817 20 5 FFBDRO CC1CC[NH+](CCCCNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000151820747 509090245 /nfs/dbraw/zinc/09/02/45/509090245.db2.gz DNXPCXTZGNEYTA-UHFFFAOYSA-N 1 0 369.487 2.526 20 5 FFBDRO CC(C)N(CC[NH+](C)C)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000151887235 509104571 /nfs/dbraw/zinc/10/45/71/509104571.db2.gz HVJCNJSMZLOFPD-UHFFFAOYSA-N 1 0 365.477 2.953 20 5 FFBDRO Cc1nc(C(C)C)sc1[C@@H](C)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000120992173 509104858 /nfs/dbraw/zinc/10/48/58/509104858.db2.gz ZWGOUKXEPLBBLX-OCCSQVGLSA-N 1 0 367.475 2.734 20 5 FFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H](c1ccco1)N(C)C ZINC000121019246 509111153 /nfs/dbraw/zinc/11/11/53/509111153.db2.gz BDMNDEUPVUELMS-XJKSGUPXSA-N 1 0 360.414 2.797 20 5 FFBDRO C[NH+](C)C[C@@](C)(O)CNc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000133076050 509112827 /nfs/dbraw/zinc/11/28/27/509112827.db2.gz HDUHFFXRYMXGGI-LBPRGKRZSA-N 1 0 355.744 2.992 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000156097235 509126916 /nfs/dbraw/zinc/12/69/16/509126916.db2.gz DPJMQORASFXGOD-UHFFFAOYSA-N 1 0 362.386 2.792 20 5 FFBDRO O=C(N[C@H]1CC[N@H+](CC2CCCC2)C1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000121397141 509171868 /nfs/dbraw/zinc/17/18/68/509171868.db2.gz AYFIWKKHHFHISS-SFHVURJKSA-N 1 0 372.469 2.927 20 5 FFBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)n1 ZINC000191815150 509196243 /nfs/dbraw/zinc/19/62/43/509196243.db2.gz DWSGROIMUOAKEV-LSDHHAIUSA-N 1 0 363.462 2.538 20 5 FFBDRO C[NH+](C)[C@H](CNC(=O)CCNc1ccccc1[N+](=O)[O-])c1cccs1 ZINC000248021791 509218132 /nfs/dbraw/zinc/21/81/32/509218132.db2.gz RJJWCNQVZGCZAK-OAHLLOKOSA-N 1 0 362.455 2.877 20 5 FFBDRO Cc1ccc([C@@H](C)[NH2+]CCNS(=O)(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000162471732 509230750 /nfs/dbraw/zinc/23/07/50/509230750.db2.gz KTJVRWPPNBYGTM-CQSZACIVSA-N 1 0 363.439 2.532 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)[C@H]1COc2ccccc21 ZINC000185565859 509238322 /nfs/dbraw/zinc/23/83/22/509238322.db2.gz YGRMIJPZBGROIO-XJKSGUPXSA-N 1 0 355.394 2.996 20 5 FFBDRO O=[N+]([O-])c1cc(Br)ccc1NCCC[NH+]1CCC(O)CC1 ZINC000263954952 509247154 /nfs/dbraw/zinc/24/71/54/509247154.db2.gz KVMWGRZTVCKIOL-UHFFFAOYSA-N 1 0 358.236 2.616 20 5 FFBDRO Cc1ccccc1C[NH+]1CCC(NC(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000176032294 509284378 /nfs/dbraw/zinc/28/43/78/509284378.db2.gz HTZRUXFNLWDULP-UHFFFAOYSA-N 1 0 368.437 2.880 20 5 FFBDRO C[C@H](C[NH3+])N(C)C(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000179185891 509309475 /nfs/dbraw/zinc/30/94/75/509309475.db2.gz ACOQZRBEMHDINQ-OLZOCXBDSA-N 1 0 357.414 2.582 20 5 FFBDRO C[C@H](C[NH3+])N(C)C(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000179185905 509310358 /nfs/dbraw/zinc/31/03/58/509310358.db2.gz ACOQZRBEMHDINQ-CHWSQXEVSA-N 1 0 357.414 2.582 20 5 FFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000267094587 509343752 /nfs/dbraw/zinc/34/37/52/509343752.db2.gz JDJFLUPTCZYXEQ-LRDDRELGSA-N 1 0 369.512 2.629 20 5 FFBDRO COC(=O)[C@H](c1ccccc1C)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000163163718 509346496 /nfs/dbraw/zinc/34/64/96/509346496.db2.gz KOQDCDRWKQOBLH-KSSFIOAISA-N 1 0 370.409 2.699 20 5 FFBDRO CCOc1cccc2cc([C@H](C)[NH2+]C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)oc21 ZINC000182649512 509351336 /nfs/dbraw/zinc/35/13/36/509351336.db2.gz SFOFAGRMYDIBGD-SWLSCSKDSA-N 1 0 374.397 2.648 20 5 FFBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000248546819 509358128 /nfs/dbraw/zinc/35/81/28/509358128.db2.gz DZMNDKSUUPEUIR-KGLIPLIRSA-N 1 0 351.422 2.932 20 5 FFBDRO C[C@@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(C)(C)C[NH+](C)C ZINC000173053198 509369546 /nfs/dbraw/zinc/36/95/46/509369546.db2.gz WIQYKROYYRXGLA-CQSZACIVSA-N 1 0 362.474 2.901 20 5 FFBDRO CCC[N@H+](CCn1ccc([N+](=O)[O-])n1)CC(=O)Nc1ccc(Cl)cc1 ZINC000176242411 509399184 /nfs/dbraw/zinc/39/91/84/509399184.db2.gz ZKAIPHGCQZKORC-UHFFFAOYSA-N 1 0 365.821 2.795 20 5 FFBDRO COc1cccc(CN(CC[NH+](C)C)C(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000192204214 509401239 /nfs/dbraw/zinc/40/12/39/509401239.db2.gz ASWMKVGOTNJFPL-UHFFFAOYSA-N 1 0 357.410 2.807 20 5 FFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000264282627 509432474 /nfs/dbraw/zinc/43/24/74/509432474.db2.gz IOLULUWQVABXRN-LJQANCHMSA-N 1 0 367.449 2.818 20 5 FFBDRO CC(C)[NH+]1CCC(NCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000236601373 509461508 /nfs/dbraw/zinc/46/15/08/509461508.db2.gz ONVXOUPYCGXLNG-UHFFFAOYSA-N 1 0 357.458 2.958 20 5 FFBDRO O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc([N+](=O)[O-])s1 ZINC000264357378 509479047 /nfs/dbraw/zinc/47/90/47/509479047.db2.gz YCACXMYSSGXKIK-OAHLLOKOSA-N 1 0 359.451 2.951 20 5 FFBDRO O=[N+]([O-])c1ccc(CNC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000192358125 509481570 /nfs/dbraw/zinc/48/15/70/509481570.db2.gz UXUDPMMGENUZMD-FQEVSTJZSA-N 1 0 355.438 2.976 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000192361258 509482102 /nfs/dbraw/zinc/48/21/02/509482102.db2.gz RUWKXPBORXSLRR-CZUORRHYSA-N 1 0 358.394 2.707 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000179511797 509487544 /nfs/dbraw/zinc/48/75/44/509487544.db2.gz QUAHFHGGTSDDRO-ZDUSSCGKSA-N 1 0 357.414 2.979 20 5 FFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000248816803 509495516 /nfs/dbraw/zinc/49/55/16/509495516.db2.gz LAKNBZFUOFWMNE-DNVCBOLYSA-N 1 0 353.422 2.774 20 5 FFBDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000236753341 509496471 /nfs/dbraw/zinc/49/64/71/509496471.db2.gz VUMVPDPCWWCYJO-YPMHNXCESA-N 1 0 357.838 2.847 20 5 FFBDRO C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])s1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183018842 509550842 /nfs/dbraw/zinc/55/08/42/509550842.db2.gz OKONZCAESCBHFO-NEPJUHHUSA-N 1 0 373.500 2.588 20 5 FFBDRO CC[NH2+]CC1CCN(C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)CC1 ZINC000237026309 509553952 /nfs/dbraw/zinc/55/39/52/509553952.db2.gz ZDRNKMNSYDAFNH-ZDUSSCGKSA-N 1 0 351.472 2.924 20 5 FFBDRO CC[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cccc(S(N)(=O)=O)c1 ZINC000183029109 509556513 /nfs/dbraw/zinc/55/65/13/509556513.db2.gz TXCLLDXOKKNMQP-QGZVFWFLSA-N 1 0 363.439 2.526 20 5 FFBDRO CCN(CCC[NH+]1CCCC1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000189434400 509573678 /nfs/dbraw/zinc/57/36/78/509573678.db2.gz VODWDUCOSUHKQO-UHFFFAOYSA-N 1 0 350.419 2.943 20 5 FFBDRO CC(C)CC[NH+]1CCC(CNC(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000176550237 509579128 /nfs/dbraw/zinc/57/91/28/509579128.db2.gz JFDJXYWGHMDPJY-UHFFFAOYSA-N 1 0 363.458 2.848 20 5 FFBDRO [NH3+]CC[C@H]1CCCCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000165909667 509589091 /nfs/dbraw/zinc/58/90/91/509589091.db2.gz UYMHCTAZBRSDCD-GFCCVEGCSA-N 1 0 356.220 2.701 20 5 FFBDRO C[C@H]([NH2+][C@H]1CC(=O)N(CCOc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000173443201 509602209 /nfs/dbraw/zinc/60/22/09/509602209.db2.gz PMVWGYCYEDJQHA-RDJZCZTQSA-N 1 0 369.421 2.925 20 5 FFBDRO C[NH2+]C[C@@H](C)CNC(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000237340135 509626777 /nfs/dbraw/zinc/62/67/77/509626777.db2.gz CIHZWLYFYLDWBY-QLFBSQMISA-N 1 0 362.474 2.662 20 5 FFBDRO C[C@H](Nc1ccc(C(=O)NCC[NH2+]C2CC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000237537749 509673283 /nfs/dbraw/zinc/67/32/83/509673283.db2.gz GLALODFNUFKANG-ZDUSSCGKSA-N 1 0 369.425 2.645 20 5 FFBDRO CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000249454237 509684130 /nfs/dbraw/zinc/68/41/30/509684130.db2.gz PEMLGSRFTKBDEB-NJAFHUGGSA-N 1 0 352.431 2.518 20 5 FFBDRO C[C@@H](C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)[C@@H]([NH3+])c1ccccc1 ZINC000237594942 509685680 /nfs/dbraw/zinc/68/56/80/509685680.db2.gz YAEUOABOHWLNBZ-DNVCBOLYSA-N 1 0 368.437 2.580 20 5 FFBDRO C[C@@H](Nc1ccc(C(=O)N2CC[NH2+]C[C@@H]2C)cc1[N+](=O)[O-])c1ccccn1 ZINC000237629985 509696453 /nfs/dbraw/zinc/69/64/53/509696453.db2.gz JSTVOIQKDLYTAY-UONOGXRCSA-N 1 0 369.425 2.597 20 5 FFBDRO CCC[C@@H]([NH2+]C[C@@H]1COC2(CCOCC2)O1)c1cccc([N+](=O)[O-])c1 ZINC000179975684 509696409 /nfs/dbraw/zinc/69/64/09/509696409.db2.gz ATUMQFLTBIXKRK-IAGOWNOFSA-N 1 0 350.415 2.948 20 5 FFBDRO CCC[C@@H]([NH2+]C[C@H]1COC2(CCOCC2)O1)c1cccc([N+](=O)[O-])c1 ZINC000179975715 509696547 /nfs/dbraw/zinc/69/65/47/509696547.db2.gz ATUMQFLTBIXKRK-DLBZAZTESA-N 1 0 350.415 2.948 20 5 FFBDRO Cc1nn(C)c(C)c1C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000237709423 509716268 /nfs/dbraw/zinc/71/62/68/509716268.db2.gz XSPULXJZFPQBKW-UHFFFAOYSA-N 1 0 354.414 2.635 20 5 FFBDRO Cc1ccc(NCCCNC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)c([N+](=O)[O-])c1 ZINC000237731761 509720997 /nfs/dbraw/zinc/72/09/97/509720997.db2.gz JPANOHBGQYSACB-MQVJKMGUSA-N 1 0 360.458 2.742 20 5 FFBDRO C[C@@H]1C[C@@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000268040718 509730841 /nfs/dbraw/zinc/73/08/41/509730841.db2.gz XYWBBGDLFRDMIF-MWLCHTKSSA-N 1 0 357.332 2.969 20 5 FFBDRO Cn1cc(C[NH2+]Cc2cccc(CO)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237933408 509777894 /nfs/dbraw/zinc/77/78/94/509777894.db2.gz FBBICGSRYYPQIE-UHFFFAOYSA-N 1 0 352.394 2.777 20 5 FFBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000249890989 509779157 /nfs/dbraw/zinc/77/91/57/509779157.db2.gz SXJYBPSSZTUDMD-OAGGEKHMSA-N 1 0 363.458 2.846 20 5 FFBDRO COCCNC(=O)[C@H](CC(C)C)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000193103996 509780312 /nfs/dbraw/zinc/78/03/12/509780312.db2.gz ZLNSMWTWIQLXHH-MSOLQXFVSA-N 1 0 363.458 2.739 20 5 FFBDRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000238002769 509796142 /nfs/dbraw/zinc/79/61/42/509796142.db2.gz HXWPNPWHFGJUPS-DGCLKSJQSA-N 1 0 355.822 2.651 20 5 FFBDRO O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CC[NH+](C2CCCC2)CC1 ZINC000180261035 509838791 /nfs/dbraw/zinc/83/87/91/509838791.db2.gz LIGOCZDXPIMFPC-UHFFFAOYSA-N 1 0 369.368 2.897 20 5 FFBDRO CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)C1 ZINC000173920926 509854408 /nfs/dbraw/zinc/85/44/08/509854408.db2.gz POCGNMDJELZNML-HNNXBMFYSA-N 1 0 369.487 2.564 20 5 FFBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000252735597 509860396 /nfs/dbraw/zinc/86/03/96/509860396.db2.gz NGTIWDHIHAYULL-KGLIPLIRSA-N 1 0 356.426 2.993 20 5 FFBDRO O=[N+]([O-])c1cccc(F)c1CN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173962092 509877027 /nfs/dbraw/zinc/87/70/27/509877027.db2.gz QEIUDTRFYLVOQX-UHFFFAOYSA-N 1 0 351.422 2.811 20 5 FFBDRO COc1ccc(NC(=O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000180447177 509929692 /nfs/dbraw/zinc/92/96/92/509929692.db2.gz GLIJNFOOKNQKNP-GFCCVEGCSA-N 1 0 359.382 2.901 20 5 FFBDRO O=C(COc1ccc([N+](=O)[O-])cc1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177268707 509970871 /nfs/dbraw/zinc/97/08/71/509970871.db2.gz JEIAKXHNVHUVIT-UHFFFAOYSA-N 1 0 361.442 2.887 20 5 FFBDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000180560184 509984123 /nfs/dbraw/zinc/98/41/23/509984123.db2.gz BSNSNUGLWIZFEU-JTQLQIEISA-N 1 0 358.236 2.817 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N3CC[C@](C)(C[NH3+])C3)cc2[N+](=O)[O-])CC1 ZINC000261678856 510023673 /nfs/dbraw/zinc/02/36/73/510023673.db2.gz ALSCPRDTJXQSNY-LJQANCHMSA-N 1 0 360.458 2.642 20 5 FFBDRO [NH3+]C[C@@H]1CN(C(=O)CCNc2ccccc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000261694022 510029753 /nfs/dbraw/zinc/02/97/53/510029753.db2.gz JDBHPWCRYQVFED-SJORKVTESA-N 1 0 368.437 2.598 20 5 FFBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261696685 510030575 /nfs/dbraw/zinc/03/05/75/510030575.db2.gz JKWNSJLAHWEFAO-GMBSWORKSA-N 1 0 368.437 2.596 20 5 FFBDRO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cc(F)ccc1[N+](=O)[O-] ZINC000193772873 510061321 /nfs/dbraw/zinc/06/13/21/510061321.db2.gz PWXGWGOHBONKCU-HNNXBMFYSA-N 1 0 357.385 2.986 20 5 FFBDRO Cc1ccc(NC(=O)c2cccc(CN3CC[NH+](C)CC3)c2)cc1[N+](=O)[O-] ZINC000174358129 510075449 /nfs/dbraw/zinc/07/54/49/510075449.db2.gz OWYMIGIBCOJIRL-UHFFFAOYSA-N 1 0 368.437 2.903 20 5 FFBDRO C[NH+](C)CCCOc1ccc(CNC(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000171343696 510094521 /nfs/dbraw/zinc/09/45/21/510094521.db2.gz XUHOKENODOYIBP-UHFFFAOYSA-N 1 0 363.439 2.917 20 5 FFBDRO C[C@@H](NC(=O)COc1ccccc1[N+](=O)[O-])[C@H](c1ccccc1)[NH+](C)C ZINC000187180639 510107848 /nfs/dbraw/zinc/10/78/48/510107848.db2.gz XBKRSVBZSKIGMB-AUUYWEPGSA-N 1 0 357.410 2.781 20 5 FFBDRO C[N@@H+]1CCCN(C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])CC1 ZINC000193898224 510118728 /nfs/dbraw/zinc/11/87/28/510118728.db2.gz PVEOAASZRWNEHE-UHFFFAOYSA-N 1 0 369.421 2.952 20 5 FFBDRO COc1cc(Br)ccc1[C@@H](C)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000190435677 510129618 /nfs/dbraw/zinc/12/96/18/510129618.db2.gz NHRJHOGXDMIGGX-SNVBAGLBSA-N 1 0 369.219 2.913 20 5 FFBDRO COc1ccc(CN2C[C@H]([NH3+])[C@@H](C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000261970069 510132787 /nfs/dbraw/zinc/13/27/87/510132787.db2.gz IEHVYQBCLAOAOR-KSSFIOAISA-N 1 0 371.437 2.961 20 5 FFBDRO O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000171447126 510164155 /nfs/dbraw/zinc/16/41/55/510164155.db2.gz MYUHKASQSBBSRP-KRWDZBQOSA-N 1 0 372.469 2.895 20 5 FFBDRO COc1cc(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)cc([N+](=O)[O-])c1C ZINC000190494648 510164594 /nfs/dbraw/zinc/16/45/94/510164594.db2.gz VZUKRFSTTSPNRV-QGZVFWFLSA-N 1 0 357.410 2.945 20 5 FFBDRO Cc1c([N+](=O)[O-])cc(C(=O)Nc2cc(C[NH+](C)C)ccn2)cc1[N+](=O)[O-] ZINC000177643264 510176216 /nfs/dbraw/zinc/17/62/16/510176216.db2.gz XAYLJOIIVMWILG-UHFFFAOYSA-N 1 0 359.342 2.520 20 5 FFBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000194070961 510201243 /nfs/dbraw/zinc/20/12/43/510201243.db2.gz CQCSMUONIYWUCZ-SFHVURJKSA-N 1 0 368.437 2.916 20 5 FFBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)cs1 ZINC000265760808 510215682 /nfs/dbraw/zinc/21/56/82/510215682.db2.gz JUECEDWMOBRPBH-SJORKVTESA-N 1 0 361.467 2.629 20 5 FFBDRO CCC(CC)(C[NH3+])NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000269146047 510257361 /nfs/dbraw/zinc/25/73/61/510257361.db2.gz FNOPWQPHUHARRG-UHFFFAOYSA-N 1 0 362.199 2.744 20 5 FFBDRO O=C1[C@H](N2CCC[C@@H](C(F)(F)F)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000246045931 510262748 /nfs/dbraw/zinc/26/27/48/510262748.db2.gz UCDAHWZWXIJJCD-BXUZGUMPSA-N 1 0 357.332 2.974 20 5 FFBDRO C[C@H]([NH3+])C1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CC1 ZINC000269170755 510270989 /nfs/dbraw/zinc/27/09/89/510270989.db2.gz IPHCLYMTUBOLAE-QMMMGPOBSA-N 1 0 374.210 2.696 20 5 FFBDRO COc1cc(C(=O)Nc2ccc3c(c2)C[NH2+]CC3)cc([N+](=O)[O-])c1OC ZINC000269183176 510277867 /nfs/dbraw/zinc/27/78/67/510277867.db2.gz FDMUVFPDMHPUOK-UHFFFAOYSA-N 1 0 357.366 2.510 20 5 FFBDRO [NH3+][C@H](CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000262571748 510320166 /nfs/dbraw/zinc/32/01/66/510320166.db2.gz HLGQUKUIXSDXGE-MRXNPFEDSA-N 1 0 354.410 2.625 20 5 FFBDRO O=C(CCN1CC[NH+]([C@@H]2C[C@H]3CC[C@@H]2C3)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000177963359 510349737 /nfs/dbraw/zinc/34/97/37/510349737.db2.gz GYXYEEPSBVAKPP-FRQCXROJSA-N 1 0 372.469 2.730 20 5 FFBDRO Cc1ccc([C@H](C)[NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)s1 ZINC000178004452 510370029 /nfs/dbraw/zinc/37/00/29/510370029.db2.gz JEKFOXXSQCTNDJ-LBPRGKRZSA-N 1 0 369.468 2.594 20 5 FFBDRO CC(C)c1n[nH]c(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000269386746 510376808 /nfs/dbraw/zinc/37/68/08/510376808.db2.gz QHULNPKGRGLZBO-LLVKDONJSA-N 1 0 351.432 2.536 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000194501336 510396316 /nfs/dbraw/zinc/39/63/16/510396316.db2.gz IEPPTMQSNZTIRW-UHFFFAOYSA-N 1 0 357.410 2.774 20 5 FFBDRO CCO[C@H]1C[C@]([NH3+])(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000187712944 510398039 /nfs/dbraw/zinc/39/80/39/510398039.db2.gz QOYVNZFTYXAJQO-LPHOPBHVSA-N 1 0 363.458 2.566 20 5 FFBDRO CCO[C@@H]1C[C@]([NH3+])(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000187712922 510398750 /nfs/dbraw/zinc/39/87/50/510398750.db2.gz QOYVNZFTYXAJQO-APWZRJJASA-N 1 0 363.458 2.566 20 5 FFBDRO COc1cc(C[NH2+]C[C@@H](C)CCO)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000266171531 510446325 /nfs/dbraw/zinc/44/63/25/510446325.db2.gz RGNFRAAFBZHZSS-JTQLQIEISA-N 1 0 366.336 2.653 20 5 FFBDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000175037471 510451518 /nfs/dbraw/zinc/45/15/18/510451518.db2.gz RFDAARZQRIDTCS-IAGOWNOFSA-N 1 0 372.469 2.894 20 5 FFBDRO O=C(NCCCC[NH+]1CCN(c2ccccc2)CC1)c1ccc([N+](=O)[O-])o1 ZINC000194647613 510464559 /nfs/dbraw/zinc/46/45/59/510464559.db2.gz DADOCVUYXZWKBI-UHFFFAOYSA-N 1 0 372.425 2.520 20 5 FFBDRO CC[NH+](CC)Cc1cccc(CNC(=O)c2cccc([N+](=O)[O-])c2N)c1 ZINC000178170501 510470081 /nfs/dbraw/zinc/47/00/81/510470081.db2.gz QBKKAPZEQKCPLY-UHFFFAOYSA-N 1 0 356.426 2.949 20 5 FFBDRO CCOC(=O)C1CCC(O)(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000191029235 510472722 /nfs/dbraw/zinc/47/27/22/510472722.db2.gz HNFDVUDEDNZXEE-WRSVWVKZSA-N 1 0 350.415 2.730 20 5 FFBDRO CC[NH+](CC)CCCCNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000171980138 510483892 /nfs/dbraw/zinc/48/38/92/510483892.db2.gz VHGIRNIZVFGGHL-UHFFFAOYSA-N 1 0 359.430 2.632 20 5 FFBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NC[C@@H]3CCC[N@@H+]3C)cc2[N+](=O)[O-])C1 ZINC000194736019 510501704 /nfs/dbraw/zinc/50/17/04/510501704.db2.gz VNUKBCPTSYDOIY-INMHGKMJSA-N 1 0 374.485 2.901 20 5 FFBDRO C[C@H]1CC[C@@](CO)([N@H+](C)CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000187946532 510515261 /nfs/dbraw/zinc/51/52/61/510515261.db2.gz RYDXEYOZGMSSGM-MEDUHNTESA-N 1 0 355.822 2.670 20 5 FFBDRO CSc1cccc(C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000188030813 510557741 /nfs/dbraw/zinc/55/77/41/510557741.db2.gz KJAQPZHOCODEBQ-STQMWFEESA-N 1 0 367.471 2.546 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC[C@@H](Cc3ccccc3)C2)c1 ZINC000246660961 510606567 /nfs/dbraw/zinc/60/65/67/510606567.db2.gz JAWPXYWBNHCTRJ-PKOBYXMFSA-N 1 0 356.422 2.899 20 5 FFBDRO CC(C)([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(C(F)(F)F)c1 ZINC000266526892 510639994 /nfs/dbraw/zinc/63/99/94/510639994.db2.gz KNZCFEBOELWCOW-AWEZNQCLSA-N 1 0 372.347 2.696 20 5 FFBDRO Cc1cccc(C[N@@H+](Cc2ccco2)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000266611132 510686558 /nfs/dbraw/zinc/68/65/58/510686558.db2.gz CGBUSIOGZNJSBZ-SFHVURJKSA-N 1 0 370.409 2.756 20 5 FFBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246812570 510688421 /nfs/dbraw/zinc/68/84/21/510688421.db2.gz NJYNWJUTOZPPFZ-VCBZYWHSSA-N 1 0 372.469 2.871 20 5 FFBDRO Cc1nccn1C[C@@H](C)C[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000178700208 510727915 /nfs/dbraw/zinc/72/79/15/510727915.db2.gz FTMFLGNTNUMBDF-UONOGXRCSA-N 1 0 359.430 2.743 20 5 FFBDRO Cc1cccc(C[C@H](CO)[NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000191606042 510747017 /nfs/dbraw/zinc/74/70/17/510747017.db2.gz QNRBRGWHSUXGNO-CRAIPNDOSA-N 1 0 371.437 2.814 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000246929063 510752156 /nfs/dbraw/zinc/75/21/56/510752156.db2.gz HBMUIVKYJVSING-DZGCQCFKSA-N 1 0 369.487 2.562 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH+]2CCC(c3ccncc3)CC2)c1 ZINC000191673656 510782585 /nfs/dbraw/zinc/78/25/85/510782585.db2.gz LCLZRQRBBHGBIH-SFHVURJKSA-N 1 0 357.410 2.609 20 5 FFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H](CN2CCOCC2)c2ccccc2)cc1 ZINC000182165753 510790284 /nfs/dbraw/zinc/79/02/84/510790284.db2.gz NPPGCZMKIARLTL-FQEVSTJZSA-N 1 0 355.438 2.800 20 5 FFBDRO CCN(C(=O)c1nn(CC)cc1[N+](=O)[O-])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000191709134 510795844 /nfs/dbraw/zinc/79/58/44/510795844.db2.gz XHQXGVVZCDFBLE-INIZCTEOSA-N 1 0 371.441 2.548 20 5 FFBDRO CC[C@@](C)([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1nccs1 ZINC000182184040 510801188 /nfs/dbraw/zinc/80/11/88/510801188.db2.gz KVVFLQQPWLCMTH-BLLLJJGKSA-N 1 0 351.428 2.706 20 5 FFBDRO C[C@H]([NH3+])C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CC1 ZINC000178846430 510801345 /nfs/dbraw/zinc/80/13/45/510801345.db2.gz CPHDQQDZQFSVFJ-AWEZNQCLSA-N 1 0 360.458 2.785 20 5 FFBDRO CCCN(C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000178907772 510830096 /nfs/dbraw/zinc/83/00/96/510830096.db2.gz PSQZVCNUMOOBDU-ZDUSSCGKSA-N 1 0 355.822 2.618 20 5 FFBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)n1 ZINC000191790116 510831032 /nfs/dbraw/zinc/83/10/32/510831032.db2.gz GKCXEXZNGXKKJG-MRXNPFEDSA-N 1 0 371.441 2.687 20 5 FFBDRO COC[C@@H]1CCCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000247153183 510846165 /nfs/dbraw/zinc/84/61/65/510846165.db2.gz YOJXPZKHTMDWPR-NWDGAFQWSA-N 1 0 355.822 2.934 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)CCCNc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000247557975 510865557 /nfs/dbraw/zinc/86/55/57/510865557.db2.gz ZINRTXZBPSFAJB-YJBOKZPZSA-N 1 0 362.474 2.976 20 5 FFBDRO C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)[C@@H](C)[C@H]1[NH3+] ZINC000297313419 510898375 /nfs/dbraw/zinc/89/83/75/510898375.db2.gz GDZDBRZIVJSIMT-DEYYWGMASA-N 1 0 360.458 2.783 20 5 FFBDRO C[C@@H]([NH2+][C@H]1CCN(Cc2ccc(F)cc2)C1=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285420767 510899964 /nfs/dbraw/zinc/89/99/64/510899964.db2.gz YDKCSIPVNHRNFL-PXAZEXFGSA-N 1 0 372.400 2.768 20 5 FFBDRO COc1cccc(COC[C@H](O)C[N@H+](C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000285443995 510908542 /nfs/dbraw/zinc/90/85/42/510908542.db2.gz XTYUXTCAYRYLRQ-GOSISDBHSA-N 1 0 374.437 2.655 20 5 FFBDRO CC(C)[NH+]1CCC(N(C)C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC1 ZINC000270690321 510952393 /nfs/dbraw/zinc/95/23/93/510952393.db2.gz FJHVWXNCXYLVSE-UHFFFAOYSA-N 1 0 371.441 2.725 20 5 FFBDRO Cc1noc([C@@H]2CCCCN2CCC(=O)Nc2ccccc2[N+](=O)[O-])n1 ZINC000285595058 510970889 /nfs/dbraw/zinc/97/08/89/510970889.db2.gz JIXWTOGIVPPAMY-HNNXBMFYSA-N 1 0 359.386 2.842 20 5 FFBDRO CC(C)(C)[NH+]1CCC(NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000294331724 511029262 /nfs/dbraw/zinc/02/92/62/511029262.db2.gz FMLAUJYYVMILRS-UHFFFAOYSA-N 1 0 361.442 2.937 20 5 FFBDRO C[NH+](C)CCCC1CCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000270983630 511047198 /nfs/dbraw/zinc/04/71/98/511047198.db2.gz SEXUCCMNEMEYFS-UHFFFAOYSA-N 1 0 367.421 2.693 20 5 FFBDRO C[C@H](NCc1ccncc1OCCC[NH+](C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294447616 511067613 /nfs/dbraw/zinc/06/76/13/511067613.db2.gz VMBZERHSGVBKMQ-AWEZNQCLSA-N 1 0 373.457 2.753 20 5 FFBDRO COc1cc(C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])cc1F ZINC000294456577 511070987 /nfs/dbraw/zinc/07/09/87/511070987.db2.gz BYHBKIGPXOXPEW-ZDUSSCGKSA-N 1 0 365.405 2.833 20 5 FFBDRO COc1cc(C(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000294596784 511114662 /nfs/dbraw/zinc/11/46/62/511114662.db2.gz USMIWNPTJFFRPA-NEPJUHHUSA-N 1 0 353.394 2.593 20 5 FFBDRO O=C1CC[C@H]([NH2+]Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C2(CCC2)N1 ZINC000282800493 511116619 /nfs/dbraw/zinc/11/66/19/511116619.db2.gz OLXQPOUVRMVXBB-HNNXBMFYSA-N 1 0 356.382 2.541 20 5 FFBDRO O=S1(=O)CC[C@@](O)(C[NH2+]Cc2c3ccccc3cc3ccccc32)C1 ZINC000294840433 511195821 /nfs/dbraw/zinc/19/58/21/511195821.db2.gz RBUNTQRPCLPGKH-HXUWFJFHSA-N 1 0 355.459 2.632 20 5 FFBDRO COCCOC1(C[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])CCOCC1 ZINC000294875444 511207164 /nfs/dbraw/zinc/20/71/64/511207164.db2.gz VDLCRNGXMWXMBO-INIZCTEOSA-N 1 0 366.458 2.718 20 5 FFBDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2nn(C)cc2[N+](=O)[O-])cc1 ZINC000271471820 511216030 /nfs/dbraw/zinc/21/60/30/511216030.db2.gz YYHXMIBYMRTMHW-ZDUSSCGKSA-N 1 0 357.414 2.955 20 5 FFBDRO COc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC000271612966 511263107 /nfs/dbraw/zinc/26/31/07/511263107.db2.gz BVKHROBWCIQFJV-GFCCVEGCSA-N 1 0 359.382 2.901 20 5 FFBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)CCC(=O)c3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000295078326 511273711 /nfs/dbraw/zinc/27/37/11/511273711.db2.gz WOUBJMBMGKXXRT-WBVHZDCISA-N 1 0 359.426 2.500 20 5 FFBDRO C[NH+](C)CCN(Cc1ccco1)C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000295121804 511289998 /nfs/dbraw/zinc/28/99/98/511289998.db2.gz MLTJBWLWXSSXOK-UHFFFAOYSA-N 1 0 373.409 2.741 20 5 FFBDRO CCC(=O)c1ccc(NC[C@H](C(C)C)N2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000280020247 511306274 /nfs/dbraw/zinc/30/62/74/511306274.db2.gz JUFRMKNWSVTGED-GOSISDBHSA-N 1 0 362.474 2.871 20 5 FFBDRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000283319751 511319825 /nfs/dbraw/zinc/31/98/25/511319825.db2.gz ZOIPDKNZJYOJNT-MXWKQRLJSA-N 1 0 371.821 2.753 20 5 FFBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000295278620 511346414 /nfs/dbraw/zinc/34/64/14/511346414.db2.gz IIMVVQJILXNPBF-XJKSGUPXSA-N 1 0 369.425 2.684 20 5 FFBDRO O=C(C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)NCC(F)F ZINC000280204336 511374938 /nfs/dbraw/zinc/37/49/38/511374938.db2.gz FEJODZXQSCJNOH-UHFFFAOYSA-N 1 0 355.366 2.794 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@]1(C)CCCO ZINC000271987981 511392367 /nfs/dbraw/zinc/39/23/67/511392367.db2.gz DFDCHDDXRWEIQP-SFHVURJKSA-N 1 0 365.430 2.559 20 5 FFBDRO C[C@H]1CN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)CC[N@@H+](C2CC2)C1 ZINC000295532754 511437033 /nfs/dbraw/zinc/43/70/33/511437033.db2.gz JTDXJORELXNKSC-CYBMUJFWSA-N 1 0 369.425 2.541 20 5 FFBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000272201509 511462859 /nfs/dbraw/zinc/46/28/59/511462859.db2.gz PONACFVSSMXRIZ-CQSZACIVSA-N 1 0 371.441 2.583 20 5 FFBDRO C[NH+](C)[C@H]1CCCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000280462656 511474613 /nfs/dbraw/zinc/47/46/13/511474613.db2.gz MLVFINPDCOKPDG-LBPRGKRZSA-N 1 0 357.813 2.873 20 5 FFBDRO C[C@@H]1CN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C)CC[N@@H+](C2CCC2)C1 ZINC000295839681 511532151 /nfs/dbraw/zinc/53/21/51/511532151.db2.gz DHKZHGAUOXUPLQ-AWEZNQCLSA-N 1 0 370.457 2.701 20 5 FFBDRO C[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1OCCc2sccc21 ZINC000292568264 511645764 /nfs/dbraw/zinc/64/57/64/511645764.db2.gz ZSQPIOGKUNJHQV-PIGZYNQJSA-N 1 0 361.423 2.887 20 5 FFBDRO Cc1nc(NCc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)ncc1[N+](=O)[O-] ZINC000296189231 511648886 /nfs/dbraw/zinc/64/88/86/511648886.db2.gz BJQUPGQQHZCPCF-OKILXGFUSA-N 1 0 371.441 2.915 20 5 FFBDRO Cc1ccnc(NCCN2CC[NH+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000301309826 511693533 /nfs/dbraw/zinc/69/35/33/511693533.db2.gz YFKFFEDDYNKGEI-UHFFFAOYSA-N 1 0 355.442 2.528 20 5 FFBDRO C[C@@H]1C[NH+](CCCNc2ncc(Br)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000301710502 511701069 /nfs/dbraw/zinc/70/10/69/511701069.db2.gz XOBUUCUZPBXXOE-GHMZBOCLSA-N 1 0 373.251 2.664 20 5 FFBDRO NC(=O)c1ccc(C[NH2+][C@H](c2ccccc2)C2(CO)CCC2)c([N+](=O)[O-])c1 ZINC000292833176 511737364 /nfs/dbraw/zinc/73/73/64/511737364.db2.gz UGVYGELQQKJDPU-GOSISDBHSA-N 1 0 369.421 2.687 20 5 FFBDRO C[N@@H+]1CC[C@H]2OCCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)[C@H]2C1 ZINC000284521969 511757502 /nfs/dbraw/zinc/75/75/02/511757502.db2.gz FPXOQCPTWFDTIP-PKOBYXMFSA-N 1 0 357.410 2.760 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](CCCC2CCOCC2)CC1 ZINC000274219173 511757563 /nfs/dbraw/zinc/75/75/63/511757563.db2.gz PJSSTJSLPAWHOA-UHFFFAOYSA-N 1 0 361.442 2.559 20 5 FFBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000363778443 511763182 /nfs/dbraw/zinc/76/31/82/511763182.db2.gz MYXAMROOEGVPDG-GOEBONIOSA-N 1 0 354.410 2.881 20 5 FFBDRO O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000296549016 511792136 /nfs/dbraw/zinc/79/21/36/511792136.db2.gz BSYJSRBGEBBHKR-KRWDZBQOSA-N 1 0 359.426 2.691 20 5 FFBDRO COc1cc(C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)c([N+](=O)[O-])cc1F ZINC000296561645 511797525 /nfs/dbraw/zinc/79/75/25/511797525.db2.gz PQNYNKYLZVZVKY-CYBMUJFWSA-N 1 0 365.405 2.546 20 5 FFBDRO COC(=O)COc1ccc([C@@H](C)[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000274417655 511827480 /nfs/dbraw/zinc/82/74/80/511827480.db2.gz DBTVUEQTIUBJBK-ACJLOTCBSA-N 1 0 374.393 2.531 20 5 FFBDRO CC(C)[C@@H]([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1(CO)CCC1 ZINC000293167299 511866309 /nfs/dbraw/zinc/86/63/09/511866309.db2.gz VDINBABVRAMOKF-MRXNPFEDSA-N 1 0 360.414 2.922 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000281555434 511889094 /nfs/dbraw/zinc/88/90/94/511889094.db2.gz LGOWHFJGPSWXRS-MRXNPFEDSA-N 1 0 361.442 2.616 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(Cc2noc([C@H]3CCn4cncc4C3)n2)c1 ZINC000350903322 511903528 /nfs/dbraw/zinc/90/35/28/511903528.db2.gz IVYXVYTYDIHJDP-NSHDSACASA-N 1 0 355.354 2.504 20 5 FFBDRO Cn1cnc([N+](=O)[O-])c1-c1noc(-c2nc(C3CC3)n3ccccc23)n1 ZINC000350899263 511903785 /nfs/dbraw/zinc/90/37/85/511903785.db2.gz KBCLYMDDCJZMDK-UHFFFAOYSA-N 1 0 351.326 2.570 20 5 FFBDRO C[C@@H](NCC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC000274667525 511904274 /nfs/dbraw/zinc/90/42/74/511904274.db2.gz RPADCHPPUMGIPO-BEFAXECRSA-N 1 0 370.453 2.665 20 5 FFBDRO CC(C)CCSc1ccc(C(=O)N2CCO[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000274754498 511931662 /nfs/dbraw/zinc/93/16/62/511931662.db2.gz HFOCLKVNTZXTGX-AWEZNQCLSA-N 1 0 367.471 2.533 20 5 FFBDRO Cc1nc(NCC2CC[NH+](C[C@H](O)c3ccccc3)CC2)ncc1[N+](=O)[O-] ZINC000296940184 511958640 /nfs/dbraw/zinc/95/86/40/511958640.db2.gz BPGWXJDYULSRLA-SFHVURJKSA-N 1 0 371.441 2.551 20 5 FFBDRO COc1cc(C[NH2+]CCC2(O)CCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000285090421 511995728 /nfs/dbraw/zinc/99/57/28/511995728.db2.gz MQXSPYGXESYNCO-UHFFFAOYSA-N 1 0 360.357 2.642 20 5 FFBDRO CCn1ccnc1[C@@H]1CCCCN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000281930319 512014917 /nfs/dbraw/zinc/01/49/17/512014917.db2.gz VYTWZFUQMUHTIK-ZDUSSCGKSA-N 1 0 372.381 2.907 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000285236978 512048546 /nfs/dbraw/zinc/04/85/46/512048546.db2.gz PLFJXRYHJBFMGK-LBPRGKRZSA-N 1 0 365.430 2.948 20 5 FFBDRO CS(=O)(=O)[C@H]1CCC[C@@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000285306493 512071952 /nfs/dbraw/zinc/07/19/52/512071952.db2.gz SHRSVSKKFQBGLN-KGLIPLIRSA-N 1 0 360.863 2.736 20 5 FFBDRO COc1cc(C[NH2+][C@@H]2CCC[C@@H]2CCO)c([N+](=O)[O-])cc1OCC(F)F ZINC000275229747 512081681 /nfs/dbraw/zinc/08/16/81/512081681.db2.gz JAXZMTSBTCEMCK-DGCLKSJQSA-N 1 0 374.384 2.888 20 5 FFBDRO Cc1cc(N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000367805606 512670299 /nfs/dbraw/zinc/67/02/99/512670299.db2.gz XOTPDWPHZYLQKW-QGZVFWFLSA-N 1 0 369.469 2.668 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)C1CCN(c2cnccn2)CC1 ZINC000370042685 512738881 /nfs/dbraw/zinc/73/88/81/512738881.db2.gz LCSKPPKVMOLQKW-UHFFFAOYSA-N 1 0 371.441 2.884 20 5 FFBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@@H](c1ccccc1)C1CCOCC1 ZINC000378465509 512774882 /nfs/dbraw/zinc/77/48/82/512774882.db2.gz WQPLFQAAROAZLN-IBGZPJMESA-N 1 0 357.410 2.514 20 5 FFBDRO C[NH+]1CCC([C@@H]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3Cl)C2)CC1 ZINC000374343854 512779137 /nfs/dbraw/zinc/77/91/37/512779137.db2.gz ZOLVVNVXXVMCFA-OAHLLOKOSA-N 1 0 365.861 2.981 20 5 FFBDRO C[N@@H+]1CCCC12CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1Cl)CC2 ZINC000378513831 512799298 /nfs/dbraw/zinc/79/92/98/512799298.db2.gz DUMXWQVYHGAKQI-UHFFFAOYSA-N 1 0 351.834 2.878 20 5 FFBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000376523513 512856435 /nfs/dbraw/zinc/85/64/35/512856435.db2.gz VOTBQKSIRCMCIO-SUMWQHHRSA-N 1 0 358.442 2.868 20 5 FFBDRO CO[C@H]1c2ccccc2C[C@H]1[NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000411890949 512862974 /nfs/dbraw/zinc/86/29/74/512862974.db2.gz FUIMUCKUOQUIND-RZAIGCCYSA-N 1 0 355.394 2.824 20 5 FFBDRO C[C@H]1[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2N)CC[N@@H+]1Cc1ccccc1 ZINC000382009665 512876529 /nfs/dbraw/zinc/87/65/29/512876529.db2.gz MTXQVNILKBBGJS-BBRMVZONSA-N 1 0 354.410 2.570 20 5 FFBDRO O=[N+]([O-])c1cc(CN2C[C@H](O)C[C@@H]2c2ccccc2)c2c(c1)COCO2 ZINC000411949953 512886020 /nfs/dbraw/zinc/88/60/20/512886020.db2.gz QSXAMSSDQKCRDS-QZTJIDSGSA-N 1 0 356.378 2.769 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+]C1(CO)C2CC3CC(C2)CC1C3 ZINC000412002267 512908231 /nfs/dbraw/zinc/90/82/31/512908231.db2.gz KPVQTTOREXAADC-UHFFFAOYSA-N 1 0 373.453 2.619 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCCC[N@H+](C)Cc2ccccc2)n1 ZINC000394024485 512935366 /nfs/dbraw/zinc/93/53/66/512935366.db2.gz ZJPPBSQMKWLEQL-UHFFFAOYSA-N 1 0 358.398 2.710 20 5 FFBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000398001239 512952315 /nfs/dbraw/zinc/95/23/15/512952315.db2.gz NNIBHMPPZRTSJT-WMLDXEAASA-N 1 0 368.437 2.817 20 5 FFBDRO O=C1[C@H]([N@@H+]2CC[C@@H](Cc3ccncc3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000368486963 512970306 /nfs/dbraw/zinc/97/03/06/512970306.db2.gz QQBVPLKRRPHBGG-QFBILLFUSA-N 1 0 366.421 2.660 20 5 FFBDRO O=C(CC[N@@H+]1CC[C@H](Cc2ccncc2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000368487032 512971019 /nfs/dbraw/zinc/97/10/19/512971019.db2.gz RCFLFPRQKZPUNB-MRXNPFEDSA-N 1 0 354.410 2.883 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N(CC[NH+](C)C)C2CCCC2)c1F ZINC000412195004 512992657 /nfs/dbraw/zinc/99/26/57/512992657.db2.gz QYKAEUVZMLLJPR-UHFFFAOYSA-N 1 0 367.421 2.618 20 5 FFBDRO Cc1ncc2c(n1)CC[C@@H]([NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)C2 ZINC000370671356 513044158 /nfs/dbraw/zinc/04/41/58/513044158.db2.gz QKKNBCJNNVUHAD-BLLLJJGKSA-N 1 0 369.425 2.557 20 5 FFBDRO Cc1cn2c(n1)[C@H](C[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)CCC2 ZINC000370682474 513050806 /nfs/dbraw/zinc/05/08/06/513050806.db2.gz NYULXZCHNKKASJ-HIFRSBDPSA-N 1 0 371.441 2.984 20 5 FFBDRO CC(C)Oc1cc(C(=O)N2CC[N@@H+](C3CC3)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000412369430 513055717 /nfs/dbraw/zinc/05/57/17/513055717.db2.gz PGZMPCQAVWWHCX-CQSZACIVSA-N 1 0 361.442 2.938 20 5 FFBDRO C[C@@H](CNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)[NH+](C)C ZINC000412397369 513063733 /nfs/dbraw/zinc/06/37/33/513063733.db2.gz ZXETWURQRICPIY-JTQLQIEISA-N 1 0 359.376 2.639 20 5 FFBDRO CC(C)[C@H](CC(F)(F)F)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000445888884 513138278 /nfs/dbraw/zinc/13/82/78/513138278.db2.gz XQILDDVKGPIPCF-JSGCOSHPSA-N 1 0 350.337 2.901 20 5 FFBDRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000412567069 513167265 /nfs/dbraw/zinc/16/72/65/513167265.db2.gz WSHDCLLOTIWXBW-UHFFFAOYSA-N 1 0 359.382 2.796 20 5 FFBDRO CC(C)C1CCC([NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])n3C)CC2)CC1 ZINC000439996147 513224938 /nfs/dbraw/zinc/22/49/38/513224938.db2.gz NZQBCEISDYVWAS-UHFFFAOYSA-N 1 0 362.474 2.906 20 5 FFBDRO Cc1ccc([C@H](C)NC(=O)NCCC[NH2+]Cc2cccnc2)cc1[N+](=O)[O-] ZINC000417852896 513239013 /nfs/dbraw/zinc/23/90/13/513239013.db2.gz OOMYRYYCMYHGOS-HNNXBMFYSA-N 1 0 371.441 2.838 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000428992596 513242706 /nfs/dbraw/zinc/24/27/06/513242706.db2.gz BHJFLFUFPOWLAJ-ZSZQSSIHSA-N 1 0 374.485 2.894 20 5 FFBDRO O=[N+]([O-])c1ccc(NC[C@H]2CCC[N@H+]2CCCO)c(Br)c1 ZINC000450589178 513264504 /nfs/dbraw/zinc/26/45/04/513264504.db2.gz CEXOBVOPOAKBKQ-GFCCVEGCSA-N 1 0 358.236 2.616 20 5 FFBDRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000417995088 513323001 /nfs/dbraw/zinc/32/30/01/513323001.db2.gz RIZBMDRDJBZLFG-SMDDNHRTSA-N 1 0 354.838 2.702 20 5 FFBDRO CC(=O)N1CCC[N@H+](C[C@@H]2CCCN(c3c(C)cccc3[N+](=O)[O-])C2)CC1 ZINC000450777967 513336013 /nfs/dbraw/zinc/33/60/13/513336013.db2.gz SZYQVHOBVVWYLD-SFHVURJKSA-N 1 0 374.485 2.674 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425004012 513363533 /nfs/dbraw/zinc/36/35/33/513363533.db2.gz MXZIUHSMMOCNIB-PKOBYXMFSA-N 1 0 351.406 2.941 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCCC[NH2+]Cc1cccnc1 ZINC000415662862 513367521 /nfs/dbraw/zinc/36/75/21/513367521.db2.gz RRGSURJUSUDDGM-UHFFFAOYSA-N 1 0 373.413 2.690 20 5 FFBDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000418088951 513368065 /nfs/dbraw/zinc/36/80/65/513368065.db2.gz LGSCXJFIQGPCTQ-ZYHUDNBSSA-N 1 0 374.363 2.882 20 5 FFBDRO CC1(NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC[NH2+]CC1 ZINC000418092486 513369309 /nfs/dbraw/zinc/36/93/09/513369309.db2.gz RJZODASZKPIXRK-UHFFFAOYSA-N 1 0 360.336 2.555 20 5 FFBDRO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000418096865 513370303 /nfs/dbraw/zinc/37/03/03/513370303.db2.gz XQZHGUOSICMGDN-OLZOCXBDSA-N 1 0 372.347 2.650 20 5 FFBDRO COc1cc(C(=O)NCc2ccc([C@H](C)[NH3+])cc2)c([N+](=O)[O-])cc1OC ZINC000429496675 513392196 /nfs/dbraw/zinc/39/21/96/513392196.db2.gz NBXOTBRXNDSSOB-NSHDSACASA-N 1 0 359.382 2.562 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]2CCCCN2C2CC2)cc1C ZINC000434765119 513423259 /nfs/dbraw/zinc/42/32/59/513423259.db2.gz PTLGMSZREJLTMN-OAHLLOKOSA-N 1 0 367.471 2.507 20 5 FFBDRO COc1cc[nH+]c(N2CCN(c3nccc4ccc([N+](=O)[O-])cc43)CC2)c1 ZINC000413121325 513460991 /nfs/dbraw/zinc/46/09/91/513460991.db2.gz GBYLXAAIWWPXON-UHFFFAOYSA-N 1 0 365.393 2.873 20 5 FFBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000415897271 513467040 /nfs/dbraw/zinc/46/70/40/513467040.db2.gz PKHGRWPBAKMQFG-UHFFFAOYSA-N 1 0 354.410 2.947 20 5 FFBDRO CC(C)(NC(=O)NCCC[NH2+]Cc1cccnc1)c1ccc([N+](=O)[O-])cc1 ZINC000418334186 513468807 /nfs/dbraw/zinc/46/88/07/513468807.db2.gz WPROZRFQTNFQMK-UHFFFAOYSA-N 1 0 371.441 2.704 20 5 FFBDRO COc1ccc(OCC[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000447507335 513491935 /nfs/dbraw/zinc/49/19/35/513491935.db2.gz MSSPJMVSIXGWEI-IRXDYDNUSA-N 1 0 360.414 2.952 20 5 FFBDRO C[C@H](NC(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2)c1cccc([N+](=O)[O-])c1 ZINC000415959230 513500366 /nfs/dbraw/zinc/50/03/66/513500366.db2.gz MLKSDASJFPYZIB-SMDDNHRTSA-N 1 0 355.398 2.689 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCn2cnc3ccccc32)n1 ZINC000447535841 513500527 /nfs/dbraw/zinc/50/05/27/513500527.db2.gz IUGDURBQYRUFCG-DOTOQJQBSA-N 1 0 354.414 2.915 20 5 FFBDRO O=C(CC1CCCC1)NCC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447540468 513501532 /nfs/dbraw/zinc/50/15/32/513501532.db2.gz JTVKRHGSILINJS-HZPDHXFCSA-N 1 0 363.462 2.561 20 5 FFBDRO O=C(C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)Nc1ccc(F)cc1 ZINC000447540493 513502561 /nfs/dbraw/zinc/50/25/61/513502561.db2.gz JVMKUBMVQZHBCN-HUUCEWRRSA-N 1 0 361.377 2.642 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[N@@H+](C2CC2)C[C@H](C)C1 ZINC000451087481 513509332 /nfs/dbraw/zinc/50/93/32/513509332.db2.gz OBQFDZFSBYAIKJ-CQSZACIVSA-N 1 0 360.458 2.648 20 5 FFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCc2cnc(C3CC3)nc2)n1 ZINC000447582953 513514034 /nfs/dbraw/zinc/51/40/34/513514034.db2.gz ALFBTIKSVHLMJA-CVEARBPZSA-N 1 0 356.430 2.775 20 5 FFBDRO COc1cc(NC(=O)C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])cc(OC)c1 ZINC000425357294 513526063 /nfs/dbraw/zinc/52/60/63/513526063.db2.gz RTIKWJMXXNVKNZ-ZDUSSCGKSA-N 1 0 373.409 2.771 20 5 FFBDRO COc1cc(CN(C2CC2)[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])cc1OC(F)F ZINC000435250786 513544091 /nfs/dbraw/zinc/54/40/91/513544091.db2.gz ZMGQTUUQNXWMFJ-GFCCVEGCSA-N 1 0 357.357 2.531 20 5 FFBDRO C[NH+](C)[C@H]1CCOc2c(NC(=O)c3cccc([N+](=O)[O-])c3N)cccc21 ZINC000447731288 513556212 /nfs/dbraw/zinc/55/62/12/513556212.db2.gz SHNQZNMAKCWCEL-AWEZNQCLSA-N 1 0 356.382 2.815 20 5 FFBDRO COc1c[nH+]ccc1N1CCN(c2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413269565 513560162 /nfs/dbraw/zinc/56/01/62/513560162.db2.gz PEYVDRFFQVTAHT-UHFFFAOYSA-N 1 0 365.393 2.873 20 5 FFBDRO CCO[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425436844 513565650 /nfs/dbraw/zinc/56/56/50/513565650.db2.gz XGNSWALZCZLNCP-JSGCOSHPSA-N 1 0 359.220 2.641 20 5 FFBDRO [NH3+]C[C@H]1CN(Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CCO1 ZINC000435388979 513572093 /nfs/dbraw/zinc/57/20/93/513572093.db2.gz IPHKPUMKZJVWOU-INIZCTEOSA-N 1 0 361.373 2.686 20 5 FFBDRO CCOCCC[N@@H+]1CC[C@H](NCc2ccc([N+](=O)[O-])cc2OC)[C@H](C)C1 ZINC000430201044 513587184 /nfs/dbraw/zinc/58/71/84/513587184.db2.gz BWBCISSAYLLLNN-QAPCUYQASA-N 1 0 365.474 2.830 20 5 FFBDRO Cc1cc(NC(=O)c2cc([N+](=O)[O-])c(C)s2)n(C2CC[NH+](C)CC2)n1 ZINC000430428038 513651501 /nfs/dbraw/zinc/65/15/01/513651501.db2.gz GJVABPZQAZJMOE-UHFFFAOYSA-N 1 0 363.443 2.989 20 5 FFBDRO O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000418779180 513653974 /nfs/dbraw/zinc/65/39/74/513653974.db2.gz AZGGBMKKBHMKMG-OWCLPIDISA-N 1 0 358.442 2.657 20 5 FFBDRO Cc1c(Br)c(NCC[C@H]2CCC[N@@H+](C)C2)ncc1[N+](=O)[O-] ZINC000413451369 513662508 /nfs/dbraw/zinc/66/25/08/513662508.db2.gz ZQNLDEBFBFYKFG-LLVKDONJSA-N 1 0 357.252 2.626 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000413491319 513681687 /nfs/dbraw/zinc/68/16/87/513681687.db2.gz BBIUMJXWYNIRIW-QWHCGFSZSA-N 1 0 367.421 2.616 20 5 FFBDRO COc1cc(CN2CCC[C@@H](C)[C@H]2C[NH3+])c([N+](=O)[O-])cc1OC(F)F ZINC000430585480 513695817 /nfs/dbraw/zinc/69/58/17/513695817.db2.gz WVWUNGSRQPQLTA-ZWNOBZJWSA-N 1 0 359.373 2.764 20 5 FFBDRO C[NH2+]C[C@H]1CCCN(Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C1 ZINC000430622104 513704777 /nfs/dbraw/zinc/70/47/77/513704777.db2.gz FCELIFRKPPEFPA-LLVKDONJSA-N 1 0 359.373 2.636 20 5 FFBDRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000430702129 513728086 /nfs/dbraw/zinc/72/80/86/513728086.db2.gz XZEGAGCIKNJGAA-CYBMUJFWSA-N 1 0 370.247 2.865 20 5 FFBDRO CC(C)O[C@@H]1C[C@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1(C)C ZINC000451490147 513785152 /nfs/dbraw/zinc/78/51/52/513785152.db2.gz CXYVJQWFESDPMR-RRQGHBQHSA-N 1 0 352.431 2.516 20 5 FFBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H]2[C@@H](C)[C@@H](OC)C2(C)C)c([N+](=O)[O-])c1 ZINC000451494860 513787363 /nfs/dbraw/zinc/78/73/63/513787363.db2.gz GWTIVXMGQKMPNS-SSKCKEOISA-N 1 0 365.430 2.581 20 5 FFBDRO CN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C(C)(C)C[NH+]1CCCC1 ZINC000419380029 513794095 /nfs/dbraw/zinc/79/40/95/513794095.db2.gz UHKAFDDEXRWBPY-UHFFFAOYSA-N 1 0 368.865 2.993 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1[C@H](C)[C@H](OC)C1(C)C ZINC000451503806 513794427 /nfs/dbraw/zinc/79/44/27/513794427.db2.gz RNNQUMCNDKWCIU-JECHBYEQSA-N 1 0 365.430 2.581 20 5 FFBDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000436285097 513816811 /nfs/dbraw/zinc/81/68/11/513816811.db2.gz NMYADLQKXXWDIV-NFAWXSAZSA-N 1 0 363.414 2.633 20 5 FFBDRO O=C(NC[C@@H]1CCC[NH2+]C1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000422757640 513923515 /nfs/dbraw/zinc/92/35/15/513923515.db2.gz IRBYJNHPSJLDFJ-GFCCVEGCSA-N 1 0 353.397 2.550 20 5 FFBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422764076 513926082 /nfs/dbraw/zinc/92/60/82/513926082.db2.gz PJZLTZFUIVAUGP-FOSCPWQOSA-N 1 0 355.847 2.740 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCCc2ccccc2CC1 ZINC000451709752 513928524 /nfs/dbraw/zinc/92/85/24/513928524.db2.gz LLVSUCOLKHHRIP-SFHVURJKSA-N 1 0 356.422 2.825 20 5 FFBDRO CC[C@@H]1C[N@H+](CC)CCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000451732268 513945442 /nfs/dbraw/zinc/94/54/42/513945442.db2.gz SKEVCRYGAPJENY-GFCCVEGCSA-N 1 0 354.838 2.603 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[NH+]3CCC(O)(C(F)F)CC3)o2)c1 ZINC000426469346 513949733 /nfs/dbraw/zinc/94/97/33/513949733.db2.gz MKLLIROKZVKGRA-UHFFFAOYSA-N 1 0 367.352 2.884 20 5 FFBDRO Cc1cc(OCC(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000431713670 513976628 /nfs/dbraw/zinc/97/66/28/513976628.db2.gz DLIFMEDKYCXDLN-HUUCEWRRSA-N 1 0 363.458 2.766 20 5 FFBDRO CCCC[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CC1 ZINC000448947284 513985469 /nfs/dbraw/zinc/98/54/69/513985469.db2.gz WBLUUOSEJCOLKT-UHFFFAOYSA-N 1 0 371.441 2.775 20 5 FFBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000451808470 513994109 /nfs/dbraw/zinc/99/41/09/513994109.db2.gz FXUVFJBKVYFGHC-AWEZNQCLSA-N 1 0 359.430 2.631 20 5 FFBDRO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)c1ccc([N+](=O)[O-])nc1 ZINC000431839087 514016391 /nfs/dbraw/zinc/01/63/91/514016391.db2.gz YDDYAOZPTHJGGX-UHFFFAOYSA-N 1 0 361.490 2.622 20 5 FFBDRO CCS(=O)(=O)CCC[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000414344376 514057578 /nfs/dbraw/zinc/05/75/78/514057578.db2.gz RKBFAMHYQKUWKH-HOCLYGCPSA-N 1 0 354.472 2.720 20 5 FFBDRO O=C1CCc2cc([N+](=O)[O-])c(NC[C@H]3[NH2+]CCc4ccccc43)cc2N1 ZINC000420243248 514059083 /nfs/dbraw/zinc/05/90/83/514059083.db2.gz CPNRMRWSPQMPAT-QGZVFWFLSA-N 1 0 352.394 2.778 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2noc(CN3CCC([C@@H]4CCC[NH2+]4)CC3)n2)cc1 ZINC000420330776 514096018 /nfs/dbraw/zinc/09/60/18/514096018.db2.gz BSPTUMKADGUNOO-INIZCTEOSA-N 1 0 357.414 2.609 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCS(=O)(=O)c1ccc(F)cc1 ZINC000449195331 514106256 /nfs/dbraw/zinc/10/62/56/514106256.db2.gz UWTDRXCOCWZOAJ-ZDUSSCGKSA-N 1 0 366.414 2.728 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000427116378 514120994 /nfs/dbraw/zinc/12/09/94/514120994.db2.gz GUOBOTAAVPZKAU-UHFFFAOYSA-N 1 0 357.410 2.807 20 5 FFBDRO O=C(CCN1CC[NH2+]C[C@H]1c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000420412527 514139049 /nfs/dbraw/zinc/13/90/49/514139049.db2.gz SHAOQUBKIGFZFV-SFHVURJKSA-N 1 0 354.410 2.570 20 5 FFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423529178 514162581 /nfs/dbraw/zinc/16/25/81/514162581.db2.gz OCLYDKZJZPRYRQ-MDASCCDHSA-N 1 0 368.437 2.657 20 5 FFBDRO CNC(=O)NC1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000414548368 514174199 /nfs/dbraw/zinc/17/41/99/514174199.db2.gz XZVMUEGNFGFOQR-UHFFFAOYSA-N 1 0 358.398 2.748 20 5 FFBDRO COc1cc(C[NH2+][C@H]2CCN(c3ccc(F)cc3)C2)c([N+](=O)[O-])cc1O ZINC000414562830 514182648 /nfs/dbraw/zinc/18/26/48/514182648.db2.gz BBYMZKBSTXHEAJ-AWEZNQCLSA-N 1 0 361.373 2.817 20 5 FFBDRO Cc1ccc([C@H](CNc2c(C(N)=O)cccc2[N+](=O)[O-])[NH+]2CCCC2)o1 ZINC000420591393 514194833 /nfs/dbraw/zinc/19/48/33/514194833.db2.gz YHKFLDYQIUQVCV-HNNXBMFYSA-N 1 0 358.398 2.844 20 5 FFBDRO C[C@@H]1C[C@@H](Nc2c(C(N)=O)cccc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000420602229 514196687 /nfs/dbraw/zinc/19/66/87/514196687.db2.gz OLQWAHCQYMZJKM-UKRRQHHQSA-N 1 0 354.410 2.769 20 5 FFBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000423720274 514211008 /nfs/dbraw/zinc/21/10/08/514211008.db2.gz DJHVEHREASUMIF-GXFFZTMASA-N 1 0 355.847 2.551 20 5 FFBDRO C[C@@H]1CN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC[N@@H+](C2CC2)C1 ZINC000452172808 514229750 /nfs/dbraw/zinc/22/97/50/514229750.db2.gz ZELRZILKVWILHX-HNNXBMFYSA-N 1 0 360.458 2.730 20 5 FFBDRO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000449507390 514233882 /nfs/dbraw/zinc/23/38/82/514233882.db2.gz FBUAYKQSWAYYAH-MAZHCROVSA-N 1 0 363.414 2.633 20 5 FFBDRO COc1ccc(-c2ccc(CN3C[C@@H]4CC[N@H+](C)[C@@H]4C3)o2)c([N+](=O)[O-])c1 ZINC000449521276 514238761 /nfs/dbraw/zinc/23/87/61/514238761.db2.gz UKVZONLVBYSMLC-SCLBCKFNSA-N 1 0 357.410 2.999 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N[C@H]3C[NH2+]CC[C@H]3C)cc2[N+](=O)[O-])C1 ZINC000427589996 514258000 /nfs/dbraw/zinc/25/80/00/514258000.db2.gz VZEJFXRWWJZTRL-FMKPAKJESA-N 1 0 360.458 2.559 20 5 FFBDRO C[C@@H](CCC[NH3+])NC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000449570170 514258007 /nfs/dbraw/zinc/25/80/07/514258007.db2.gz JDXLPLZPBHEFMJ-KFWWJZLASA-N 1 0 362.474 2.934 20 5 FFBDRO CN(C)C(=O)[C@@H]1CC[C@H](C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)O1 ZINC000417313555 514289142 /nfs/dbraw/zinc/28/91/42/514289142.db2.gz WNSKIGSSMHNOCE-NXHRZFHOSA-N 1 0 361.442 2.588 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]([NH3+])c2ccccc2CC)c1 ZINC000423948023 514302501 /nfs/dbraw/zinc/30/25/01/514302501.db2.gz WPQDJPZBCTZRDD-QGZVFWFLSA-N 1 0 357.410 2.986 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCCCS1(=O)=O)CCCC2 ZINC000417343123 514304051 /nfs/dbraw/zinc/30/40/51/514304051.db2.gz NXLPUVRKWWLWJK-NVXWUHKLSA-N 1 0 352.456 2.919 20 5 FFBDRO C[C@H]([NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1cccc(O)c1 ZINC000444747668 514314069 /nfs/dbraw/zinc/31/40/69/514314069.db2.gz KOEGOMCOEKEDDW-LBPRGKRZSA-N 1 0 357.366 2.949 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N[C@@H]3CC[C@H](C[NH3+])C3)cc2[N+](=O)[O-])C1 ZINC000449708431 514316766 /nfs/dbraw/zinc/31/67/66/514316766.db2.gz GRZPXFPLJIUZBX-IJEWVQPXSA-N 1 0 360.458 2.688 20 5 FFBDRO C[C@H]1CCCN(c2ccc(C(=O)N3CCC[C@H]4C[NH2+]C[C@H]43)cc2[N+](=O)[O-])C1 ZINC000449725099 514323762 /nfs/dbraw/zinc/32/37/62/514323762.db2.gz IIMXWAPNQYMWKB-URLQWDBASA-N 1 0 372.469 2.655 20 5 FFBDRO CC(C)(C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC000424010486 514338473 /nfs/dbraw/zinc/33/84/73/514338473.db2.gz LAIDAWFHYKGRJX-ZWKOTPCHSA-N 1 0 371.412 2.965 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@@H+]1CCCC(C)(C)C1 ZINC000444802891 514338567 /nfs/dbraw/zinc/33/85/67/514338567.db2.gz FGAWSLMCSQZBTA-UHFFFAOYSA-N 1 0 350.419 2.847 20 5 FFBDRO C[NH+](C)C1(CNC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCCCC1 ZINC000444888892 514362283 /nfs/dbraw/zinc/36/22/83/514362283.db2.gz LOEWHPLPGCGEMQ-UHFFFAOYSA-N 1 0 374.445 2.535 20 5 FFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC000424068912 514367082 /nfs/dbraw/zinc/36/70/82/514367082.db2.gz BFNIBMDBIIXZCS-OCCSQVGLSA-N 1 0 357.435 2.992 20 5 FFBDRO CC1(C)C[NH2+]CC[C@H]1NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414944297 514368477 /nfs/dbraw/zinc/36/84/77/514368477.db2.gz GOHONRDGVFOKOE-GFCCVEGCSA-N 1 0 358.345 2.706 20 5 FFBDRO [NH3+][C@@H]1Cc2ccccc2N(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000424074993 514370250 /nfs/dbraw/zinc/37/02/50/514370250.db2.gz LFEOEDJWHUKQBO-OAHLLOKOSA-N 1 0 354.410 2.704 20 5 FFBDRO CCCC[NH+]1CCC(NC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000445010145 514387422 /nfs/dbraw/zinc/38/74/22/514387422.db2.gz FJDMAKFSIUHUFM-UHFFFAOYSA-N 1 0 374.445 2.535 20 5 FFBDRO CN1C(=O)CC[C@@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1=O ZINC000424205959 514415235 /nfs/dbraw/zinc/41/52/35/514415235.db2.gz NOIVYPQKEBXCMU-CYBMUJFWSA-N 1 0 359.407 2.560 20 5 FFBDRO COC(=O)c1ccc(C[N@H+](C)CCOc2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC000438700865 514428015 /nfs/dbraw/zinc/42/80/15/514428015.db2.gz VHPKCNGBIDRHFX-UHFFFAOYSA-N 1 0 374.393 2.901 20 5 FFBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000449963539 514443418 /nfs/dbraw/zinc/44/34/18/514443418.db2.gz AOULBHQHLBLTQM-INIZCTEOSA-N 1 0 371.441 2.727 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000449973934 514448888 /nfs/dbraw/zinc/44/88/88/514448888.db2.gz SYSMDXLAEWFQEE-HOCLYGCPSA-N 1 0 361.442 2.889 20 5 FFBDRO C[C@H](NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)C(C)(C)C[NH+](C)C ZINC000449989113 514455431 /nfs/dbraw/zinc/45/54/31/514455431.db2.gz OFYBNYYIDPBCPJ-LBPRGKRZSA-N 1 0 359.430 2.691 20 5 FFBDRO COc1cc(C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)c([N+](=O)[O-])cc1F ZINC000450018038 514466513 /nfs/dbraw/zinc/46/65/13/514466513.db2.gz QMVBILGPAQNNEZ-ZDUSSCGKSA-N 1 0 365.405 2.546 20 5 FFBDRO Cn1cc([C@@H]2CN(Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)C[C@H]2[NH3+])cn1 ZINC000424383863 514467606 /nfs/dbraw/zinc/46/76/06/514467606.db2.gz UQOYOONMZZKIFJ-DLBZAZTESA-N 1 0 367.409 2.515 20 5 FFBDRO CCOc1ccc2c(c1)CC[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C2 ZINC000433449684 514495278 /nfs/dbraw/zinc/49/52/78/514495278.db2.gz IALNQCJJBAJRGO-GOSISDBHSA-N 1 0 372.421 2.792 20 5 FFBDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C1 ZINC000450100892 514498163 /nfs/dbraw/zinc/49/81/63/514498163.db2.gz LYUIGLAIGHSBGT-ZFWWWQNUSA-N 1 0 357.414 2.588 20 5 FFBDRO O=C(Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1)Nc1cccc([N+](=O)[O-])c1 ZINC000461110000 514517378 /nfs/dbraw/zinc/51/73/78/514517378.db2.gz VFIWZRHLMGOBQN-KRWDZBQOSA-N 1 0 356.382 2.805 20 5 FFBDRO CC[C@@H]([NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC000453099770 514545097 /nfs/dbraw/zinc/54/50/97/514545097.db2.gz YPUZKYATGHOAEJ-OAHLLOKOSA-N 1 0 369.468 2.676 20 5 FFBDRO Cc1nc(NCc2ccc(C[NH+]3CCC(C)CC3)cc2)ncc1[N+](=O)[O-] ZINC000450247498 514562492 /nfs/dbraw/zinc/56/24/92/514562492.db2.gz UDHNXQYCNNFFMM-UHFFFAOYSA-N 1 0 355.442 2.959 20 5 FFBDRO Cc1nc(NCc2ccccc2C[NH+]2CCC(C)CC2)ncc1[N+](=O)[O-] ZINC000450254678 514566737 /nfs/dbraw/zinc/56/67/37/514566737.db2.gz JZRYEUUNOHAWBL-UHFFFAOYSA-N 1 0 355.442 2.959 20 5 FFBDRO O=C([C@@H]1CC[N@@H+](C2CCCCC2)C1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000461412225 514604502 /nfs/dbraw/zinc/60/45/02/514604502.db2.gz ZQTVCCNURSXDHN-OAHLLOKOSA-N 1 0 373.453 2.970 20 5 FFBDRO COc1cc(C[NH2+]C[C@H](CO)CC2CCCC2)c([N+](=O)[O-])cc1OC ZINC000466419757 514643202 /nfs/dbraw/zinc/64/32/02/514643202.db2.gz QNHLFJNEHUSMGF-CQSZACIVSA-N 1 0 352.431 2.890 20 5 FFBDRO COc1cccc(N2C[C@H]([NH2+]Cc3ccc(C)c([N+](=O)[O-])c3)CC2=O)c1 ZINC000508077229 514656882 /nfs/dbraw/zinc/65/68/82/514656882.db2.gz GVYYTROILHUSGX-OAHLLOKOSA-N 1 0 355.394 2.807 20 5 FFBDRO COCC[C@@H](CO)[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000466478308 514658450 /nfs/dbraw/zinc/65/84/50/514658450.db2.gz ZDNVIYLRMNKAHJ-INIZCTEOSA-N 1 0 359.426 2.850 20 5 FFBDRO Cn1cnc([N+](=O)[O-])c1CN1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000475528929 514704435 /nfs/dbraw/zinc/70/44/35/514704435.db2.gz GWOCZTGBUFTVPT-UHFFFAOYSA-N 1 0 357.458 2.672 20 5 FFBDRO Cc1nc(N2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000471044347 514730739 /nfs/dbraw/zinc/73/07/39/514730739.db2.gz LNWPTWNBIHTCDR-UHFFFAOYSA-N 1 0 369.469 2.552 20 5 FFBDRO C[C@@H]1CC(C)(C)C[C@@](CO)([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000471145903 514769874 /nfs/dbraw/zinc/76/98/74/514769874.db2.gz RORFEXCWLLDPLT-OGWOLHLISA-N 1 0 366.458 2.501 20 5 FFBDRO COC(=O)COc1ccc(C[N@@H+]2CCCC[C@H](SC)C2)cc1[N+](=O)[O-] ZINC000475706539 514770290 /nfs/dbraw/zinc/77/02/90/514770290.db2.gz XOMYWZSVFOGZOD-AWEZNQCLSA-N 1 0 368.455 2.864 20 5 FFBDRO Cc1cc(N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000461971014 514811536 /nfs/dbraw/zinc/81/15/36/514811536.db2.gz GUGMQRFOGUIXBA-GDBMZVCRSA-N 1 0 350.438 2.505 20 5 FFBDRO Cc1cc(N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000461971015 514812030 /nfs/dbraw/zinc/81/20/30/514812030.db2.gz GUGMQRFOGUIXBA-GOEBONIOSA-N 1 0 350.438 2.505 20 5 FFBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000498471482 514918111 /nfs/dbraw/zinc/91/81/11/514918111.db2.gz PLBFKZTZBYTUJA-ZDUSSCGKSA-N 1 0 368.865 2.774 20 5 FFBDRO Cc1c(C[NH2+]Cc2ccccc2OCC(=O)N(C)C)cccc1[N+](=O)[O-] ZINC000480459543 514965092 /nfs/dbraw/zinc/96/50/92/514965092.db2.gz HSVIMOCXAYHSTE-UHFFFAOYSA-N 1 0 357.410 2.660 20 5 FFBDRO Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC000508972133 514971635 /nfs/dbraw/zinc/97/16/35/514971635.db2.gz KREKXNWZHJGLDS-UHFFFAOYSA-N 1 0 370.457 2.845 20 5 FFBDRO CSCC[C@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)C(=O)N(C)C ZINC000489857467 515002605 /nfs/dbraw/zinc/00/26/05/515002605.db2.gz JFWTXYJUXRNZPG-HOTGVXAUSA-N 1 0 351.472 2.772 20 5 FFBDRO COc1c(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000476474783 515063622 /nfs/dbraw/zinc/06/36/22/515063622.db2.gz ZWGNJUUNZLUDNM-DOTOQJQBSA-N 1 0 355.394 2.779 20 5 FFBDRO CC[N@H+](C)[C@H](C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1)c1ccccc1 ZINC000490005919 515066816 /nfs/dbraw/zinc/06/68/16/515066816.db2.gz DCMXNVKRHGLMBW-SFHVURJKSA-N 1 0 357.410 2.913 20 5 FFBDRO CC1CC[NH+](CCCNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000485551440 515086013 /nfs/dbraw/zinc/08/60/13/515086013.db2.gz UXRXUAWUMBWSCM-UHFFFAOYSA-N 1 0 355.385 2.654 20 5 FFBDRO Cc1cc(S(=O)(=O)N(C)CC[NH+](C(C)C)C(C)C)ccc1[N+](=O)[O-] ZINC000503959386 515182538 /nfs/dbraw/zinc/18/25/38/515182538.db2.gz BUGNILFSXDINAT-UHFFFAOYSA-N 1 0 357.476 2.643 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CCC(C[NH+](C)C)CC2)cc1SC ZINC000490428271 515208461 /nfs/dbraw/zinc/20/84/61/515208461.db2.gz GKNQBACAMGAWFU-UHFFFAOYSA-N 1 0 367.471 2.739 20 5 FFBDRO CC[NH+](CC)CCO[C@@H]1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000509671733 515283282 /nfs/dbraw/zinc/28/32/82/515283282.db2.gz GOMQMXMATQVBCP-CQSZACIVSA-N 1 0 357.401 2.806 20 5 FFBDRO CNc1c(C(=O)NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000462907325 515294209 /nfs/dbraw/zinc/29/42/09/515294209.db2.gz FMXNUHPYERFUCM-CQSZACIVSA-N 1 0 368.437 2.813 20 5 FFBDRO COc1cc(C[NH2+]CC[C@H](OC)C(F)(F)F)c([N+](=O)[O-])cc1OC ZINC000468610726 515434148 /nfs/dbraw/zinc/43/41/48/515434148.db2.gz ZTLGJYHBECJORL-ZDUSSCGKSA-N 1 0 352.309 2.669 20 5 FFBDRO CNc1nc(C(=O)NCc2ccccc2C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000454371762 515437550 /nfs/dbraw/zinc/43/75/50/515437550.db2.gz LCZVTKPJBCMMBK-UHFFFAOYSA-N 1 0 369.425 2.557 20 5 FFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCCN1CCC[C@H]1C(=O)N(C)C ZINC000468643170 515450585 /nfs/dbraw/zinc/45/05/85/515450585.db2.gz OHZACYOTRQUFAH-XAVZPLJISA-N 1 0 374.485 2.530 20 5 FFBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000477459199 515465092 /nfs/dbraw/zinc/46/50/92/515465092.db2.gz YHOSLLIJBBAAMO-MJBXVCDLSA-N 1 0 351.422 2.759 20 5 FFBDRO COc1cccc([C@H]2[C@@H](NC(=O)c3cc([N+](=O)[O-])c[nH]3)CC[N@@H+]2C2CC2)c1 ZINC000481941352 515521871 /nfs/dbraw/zinc/52/18/71/515521871.db2.gz HPVRDGKCELLSKB-WMZOPIPTSA-N 1 0 370.409 2.639 20 5 FFBDRO Cc1c(Br)cc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000510443605 515543834 /nfs/dbraw/zinc/54/38/34/515543834.db2.gz OQVWYEKAOYPNME-JOYOIKCWSA-N 1 0 370.247 2.878 20 5 FFBDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000473285764 515563904 /nfs/dbraw/zinc/56/39/04/515563904.db2.gz YKDZQYRNDJYHKS-KBPBESRZSA-N 1 0 356.426 2.809 20 5 FFBDRO CC(C)c1n[nH]c(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000473309635 515573284 /nfs/dbraw/zinc/57/32/84/515573284.db2.gz KPAPRJAERDDSDV-OAHLLOKOSA-N 1 0 371.441 2.693 20 5 FFBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC000510541903 515577487 /nfs/dbraw/zinc/57/74/87/515577487.db2.gz VOLBAZBSTUYZLL-IFXJQAMLSA-N 1 0 373.457 2.606 20 5 FFBDRO O=[N+]([O-])c1cccc(Cl)c1CN1CC[NH+](CC2CCOCC2)CC1 ZINC000493108965 515598032 /nfs/dbraw/zinc/59/80/32/515598032.db2.gz XZXASIDTFOKPHJ-UHFFFAOYSA-N 1 0 353.850 2.792 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)NCC[N@@H+]2CCCC2(C)C)cc1SC ZINC000457074802 515628906 /nfs/dbraw/zinc/62/89/06/515628906.db2.gz LWQZSGDSKRWBBE-UHFFFAOYSA-N 1 0 367.471 2.930 20 5 FFBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000457081582 515632801 /nfs/dbraw/zinc/63/28/01/515632801.db2.gz DGAPUWDNYQDLQR-CQSZACIVSA-N 1 0 351.422 2.953 20 5 FFBDRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000454644270 515635886 /nfs/dbraw/zinc/63/58/86/515635886.db2.gz OHVKKPSVJDNAMI-JKSUJKDBSA-N 1 0 358.442 2.721 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000493507334 515638774 /nfs/dbraw/zinc/63/87/74/515638774.db2.gz UQEMXWJKXGWXAU-HUBLWGQQSA-N 1 0 367.833 2.568 20 5 FFBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000457093691 515642606 /nfs/dbraw/zinc/64/26/06/515642606.db2.gz YVMIWAZFANXKFK-QGZVFWFLSA-N 1 0 374.485 2.752 20 5 FFBDRO CCOc1cc(C[NH2+][C@@]2(CO)C[C@@H](OCC)C2(C)C)ccc1[N+](=O)[O-] ZINC000493570918 515643161 /nfs/dbraw/zinc/64/31/61/515643161.db2.gz CWFNLAWEQIVPRI-SJLPKXTDSA-N 1 0 352.431 2.649 20 5 FFBDRO CCc1ccc([C@H](CNC(=O)c2cc([O-])ccc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000469052307 515648744 /nfs/dbraw/zinc/64/87/44/515648744.db2.gz VWJQMCRCJGZPFO-SFHVURJKSA-N 1 0 357.410 2.896 20 5 FFBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000457108678 515656278 /nfs/dbraw/zinc/65/62/78/515656278.db2.gz GDQUANXZHDCIDM-GFCCVEGCSA-N 1 0 370.247 2.912 20 5 FFBDRO C[NH+](C)CCOc1cccc(NC(=O)COc2ccccc2[N+](=O)[O-])c1 ZINC000500287035 515657061 /nfs/dbraw/zinc/65/70/61/515657061.db2.gz ADZAXNRVAIEUMS-UHFFFAOYSA-N 1 0 359.382 2.553 20 5 FFBDRO C[N@H+](CCCCNC(=O)COc1ccc([N+](=O)[O-])c2cccnc12)C1CC1 ZINC000457163736 515698287 /nfs/dbraw/zinc/69/82/87/515698287.db2.gz HVDJRIBEVPOSET-UHFFFAOYSA-N 1 0 372.425 2.512 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC[C@H](COc3ccccc3)C2)c1 ZINC000505861689 515699820 /nfs/dbraw/zinc/69/98/20/515699820.db2.gz FIXCDQCAKZAZGB-FUHWJXTLSA-N 1 0 372.421 2.735 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C)c1cncc(F)c1 ZINC000459620458 515701657 /nfs/dbraw/zinc/70/16/57/515701657.db2.gz LGSBPARWINSCOZ-NSHDSACASA-N 1 0 362.361 2.817 20 5 FFBDRO C[C@H]([NH2+]C1(CNc2c([N+](=O)[O-])ncn2C)CCOCC1)c1ccccc1 ZINC000500423012 515702021 /nfs/dbraw/zinc/70/20/21/515702021.db2.gz KHRKSFUKKYSDEV-AWEZNQCLSA-N 1 0 359.430 2.640 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N3C[C@@H](C)[NH2+]C[C@@H]3C)cc2[N+](=O)[O-])C1 ZINC000505880600 515708648 /nfs/dbraw/zinc/70/86/48/515708648.db2.gz WGHCUIOPMJUPIU-KFWWJZLASA-N 1 0 360.458 2.654 20 5 FFBDRO C[C@H](C[NH+]1CCCCCC1)NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000487057984 515739371 /nfs/dbraw/zinc/73/93/71/515739371.db2.gz GFAKTIPCOOAUBJ-GFCCVEGCSA-N 1 0 355.385 2.796 20 5 FFBDRO CCC[C@H]([NH2+]CCS(=O)(=O)N(CC)CC)c1cccc([N+](=O)[O-])c1 ZINC000482617673 515739624 /nfs/dbraw/zinc/73/96/24/515739624.db2.gz DUSVHAQLFGQLCZ-INIZCTEOSA-N 1 0 357.476 2.697 20 5 FFBDRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)COc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000510994295 515739634 /nfs/dbraw/zinc/73/96/34/515739634.db2.gz GGYAHZZZKZPPIV-NVXWUHKLSA-N 1 0 369.421 2.925 20 5 FFBDRO COc1ccc(OCC[N@H+](C)C[C@@H]2COc3ccccc3O2)c([N+](=O)[O-])c1 ZINC000482626376 515741307 /nfs/dbraw/zinc/74/13/07/515741307.db2.gz AJQCHKDRIKBRIS-OAHLLOKOSA-N 1 0 374.393 2.754 20 5 FFBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H](O)COCc1ccccc1F ZINC000511068313 515765156 /nfs/dbraw/zinc/76/51/56/515765156.db2.gz ZKYQESKOXKFHPY-QGZVFWFLSA-N 1 0 362.401 2.786 20 5 FFBDRO CN1C(=O)C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(F)c(F)c1 ZINC000482730895 515785601 /nfs/dbraw/zinc/78/56/01/515785601.db2.gz HGHRPUQMNSXPPU-FUHWJXTLSA-N 1 0 361.348 2.935 20 5 FFBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000464358969 515795391 /nfs/dbraw/zinc/79/53/91/515795391.db2.gz WSBUGLRVWZSTFW-KRWDZBQOSA-N 1 0 370.453 2.930 20 5 FFBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CC)CCC[NH+](CC)CC ZINC000473951764 515818259 /nfs/dbraw/zinc/81/82/59/515818259.db2.gz PKEIGMKXUIFDRR-UHFFFAOYSA-N 1 0 371.503 2.900 20 5 FFBDRO Cc1ccc([C@H](CNC(=O)COc2ccccc2[N+](=O)[O-])[NH+]2CCCC2)o1 ZINC000506414371 515877264 /nfs/dbraw/zinc/87/72/64/515877264.db2.gz PLACIMGOACUYLR-INIZCTEOSA-N 1 0 373.409 2.828 20 5 FFBDRO CC(C)C[C@@H](CNC(=O)c1cc([N+](=O)[O-])nn1C)[NH2+][C@@H](C)c1ccccc1 ZINC000483043487 515898804 /nfs/dbraw/zinc/89/88/04/515898804.db2.gz AQEAJTHZKGYHJQ-HOCLYGCPSA-N 1 0 373.457 2.824 20 5 FFBDRO Cc1ccsc1[C@H](CO)[NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000494648764 515910963 /nfs/dbraw/zinc/91/09/63/515910963.db2.gz PVFXWDRXSXMBGX-OCCSQVGLSA-N 1 0 363.439 2.923 20 5 FFBDRO COc1ccc(OCC[N@@H+]2CCC[C@@H](OCC3CC3)C2)c([N+](=O)[O-])c1 ZINC000494707812 515935394 /nfs/dbraw/zinc/93/53/94/515935394.db2.gz KYMHTPVUYCNCEN-MRXNPFEDSA-N 1 0 350.415 2.873 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000494810918 515970047 /nfs/dbraw/zinc/97/00/47/515970047.db2.gz UKJDOLNVAGAXSI-OAHLLOKOSA-N 1 0 355.394 2.608 20 5 FFBDRO Cn1c(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)ccc1[N+](=O)[O-] ZINC000511699884 516005966 /nfs/dbraw/zinc/00/59/66/516005966.db2.gz AWDSQTUOKDOGSL-KRWDZBQOSA-N 1 0 370.453 2.964 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000479043189 516035479 /nfs/dbraw/zinc/03/54/79/516035479.db2.gz PWKROGNQIAAXAM-UHFFFAOYSA-N 1 0 350.419 2.847 20 5 FFBDRO CC(C)[C@@H]1CN([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC[N@@H+]1C ZINC000487960522 516052663 /nfs/dbraw/zinc/05/26/63/516052663.db2.gz FJIHAGQBYKWISX-BBRMVZONSA-N 1 0 359.430 2.978 20 5 FFBDRO CC(C)[C@@H]1CN([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC[N@@H+]1C ZINC000487960523 516053767 /nfs/dbraw/zinc/05/37/67/516053767.db2.gz FJIHAGQBYKWISX-CJNGLKHVSA-N 1 0 359.430 2.978 20 5 FFBDRO CC1(C)[C@H](C(F)(F)F)CC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000469996610 516067853 /nfs/dbraw/zinc/06/78/53/516067853.db2.gz PBASSNOBLMKARE-GXTWGEPZSA-N 1 0 362.348 2.997 20 5 FFBDRO Cn1c(C(=O)Nc2ccc3ccn(CC[NH+](C)C)c3c2)ccc1[N+](=O)[O-] ZINC000465137270 516075199 /nfs/dbraw/zinc/07/51/99/516075199.db2.gz DKWNRSGRQDDPLJ-UHFFFAOYSA-N 1 0 355.398 2.702 20 5 FFBDRO CCOc1cc(C[NH2+][C@@H](CC(=O)NC)c2ccccc2)ccc1[N+](=O)[O-] ZINC000483412908 516078450 /nfs/dbraw/zinc/07/84/50/516078450.db2.gz XMHKDJCONJACLO-INIZCTEOSA-N 1 0 357.410 2.961 20 5 FFBDRO COCC[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@H]1CCC[C@@H]1C ZINC000488075550 516106980 /nfs/dbraw/zinc/10/69/80/516106980.db2.gz ORWNDZLMNVGGEE-YOEHRIQHSA-N 1 0 361.442 2.621 20 5 FFBDRO COc1ccc(C[C@](C)([NH3+])CNc2c3ccccc3ncc2[N+](=O)[O-])cc1 ZINC000488082871 516109930 /nfs/dbraw/zinc/10/99/30/516109930.db2.gz DSURSEXALKHHLN-FQEVSTJZSA-N 1 0 366.421 2.946 20 5 FFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000470185049 516168637 /nfs/dbraw/zinc/16/86/37/516168637.db2.gz YAZIRTAWPYTXLS-JCXSTKQLSA-N 1 0 372.513 2.956 20 5 FFBDRO C[NH+](C)[C@]1(CNc2ncc(Br)cc2[N+](=O)[O-])CCSC1 ZINC000474776922 516190688 /nfs/dbraw/zinc/19/06/88/516190688.db2.gz TVEYWIVPOZYOLD-LBPRGKRZSA-N 1 0 361.265 2.602 20 5 FFBDRO O=C(N[C@@H]1CCc2[nH]cnc2C1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000483750047 516199279 /nfs/dbraw/zinc/19/92/79/516199279.db2.gz BVUPDGYHUCKHGX-MRVPVSSYSA-N 1 0 354.288 2.624 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000512261010 516215306 /nfs/dbraw/zinc/21/53/06/516215306.db2.gz VVSXAOYWXYQBSN-UHFFFAOYSA-N 1 0 357.410 2.774 20 5 FFBDRO CC(C)NC(=O)c1ccc(N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000488716164 516292756 /nfs/dbraw/zinc/29/27/56/516292756.db2.gz QYQXYXXDHYYAHS-IIDMSEBBSA-N 1 0 374.485 2.900 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NCC2(SC)CC[NH+](C)CC2)c1 ZINC000460982601 516295927 /nfs/dbraw/zinc/29/59/27/516295927.db2.gz RIZPTPAYBAMCJE-UHFFFAOYSA-N 1 0 367.471 2.551 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000488748219 516300374 /nfs/dbraw/zinc/30/03/74/516300374.db2.gz KAQGBVBDNNWCTE-HEHGZKQESA-N 1 0 361.442 2.856 20 5 FFBDRO CCOc1ccccc1OCC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000488770160 516304372 /nfs/dbraw/zinc/30/43/72/516304372.db2.gz OUFGZIYVVFFIKW-UHFFFAOYSA-N 1 0 360.414 2.906 20 5 FFBDRO CN1CC[NH+](CCC(C)(C)Nc2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000547439299 516337825 /nfs/dbraw/zinc/33/78/25/516337825.db2.gz FOKUFSYZZARECB-UHFFFAOYSA-N 1 0 357.458 2.971 20 5 FFBDRO CC[C@@](C)(COc1ncccc1Cl)[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000539883268 516338111 /nfs/dbraw/zinc/33/81/11/516338111.db2.gz NLDLZYFHMVEKJD-HNNXBMFYSA-N 1 0 353.810 2.714 20 5 FFBDRO CCN(CC[NH+]1CCCCCC1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000554270860 516352402 /nfs/dbraw/zinc/35/24/02/516352402.db2.gz ACLUUHYUGRBIRF-GOSISDBHSA-N 1 0 365.474 2.532 20 5 FFBDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000523202406 516407572 /nfs/dbraw/zinc/40/75/72/516407572.db2.gz NXARONCXWLIVET-OAHLLOKOSA-N 1 0 362.474 2.947 20 5 FFBDRO C[N@@H+]1CCN(c2nc3sccn3c2[N+](=O)[O-])C[C@@H]1Cc1ccccc1 ZINC000557741858 516413284 /nfs/dbraw/zinc/41/32/84/516413284.db2.gz VXDYDXIJIDHLPU-AWEZNQCLSA-N 1 0 357.439 2.667 20 5 FFBDRO C[N@@H+]1CCN(c2ncnc3cccc([N+](=O)[O-])c32)C[C@@H]1Cc1ccccc1 ZINC000557742407 516414302 /nfs/dbraw/zinc/41/43/02/516414302.db2.gz RUWAUWDZLUCYIW-INIZCTEOSA-N 1 0 363.421 2.901 20 5 FFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC1(S(C)(=O)=O)CCCC1 ZINC000513007536 516439206 /nfs/dbraw/zinc/43/92/06/516439206.db2.gz RCBCIIZHPOGARS-GXDHUFHOSA-N 1 0 352.456 2.945 20 5 FFBDRO Cc1ccccc1[C@H](CO)[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000543840663 516452599 /nfs/dbraw/zinc/45/25/99/516452599.db2.gz XJSMMJMOKQCHPF-HNNXBMFYSA-N 1 0 363.801 2.818 20 5 FFBDRO C[C@H]1COc2ccccc2C[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000543875433 516473790 /nfs/dbraw/zinc/47/37/90/516473790.db2.gz BBBMCBVNSIKDQP-YOEHRIQHSA-N 1 0 358.394 2.618 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000540365794 516528186 /nfs/dbraw/zinc/52/81/86/516528186.db2.gz NZGANZJNXRFRBE-LBPRGKRZSA-N 1 0 357.366 2.921 20 5 FFBDRO C[NH+](C)CCOc1cnccc1CNc1c(F)cc([N+](=O)[O-])cc1F ZINC000561380876 516554302 /nfs/dbraw/zinc/55/43/02/516554302.db2.gz FDUMKCDJDZRUPN-UHFFFAOYSA-N 1 0 352.341 2.821 20 5 FFBDRO CC1CCC([NH+]2CCN(C(=O)COc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000523721738 516557363 /nfs/dbraw/zinc/55/73/63/516557363.db2.gz NIZPUDWVTRSOST-UHFFFAOYSA-N 1 0 361.442 2.697 20 5 FFBDRO O=C(NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)c1ccc([N+](=O)[O-])cn1 ZINC000531627419 516562645 /nfs/dbraw/zinc/56/26/45/516562645.db2.gz IIJMAXDTBALTIW-MRXNPFEDSA-N 1 0 354.410 2.774 20 5 FFBDRO C[C@H](NC(=O)N1CCc2ccccc2[C@@H]1C[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000518180611 516568868 /nfs/dbraw/zinc/56/88/68/516568868.db2.gz XNNRAECLKNDSLB-UGSOOPFHSA-N 1 0 354.410 2.924 20 5 FFBDRO CCNC(=O)[C@H](C)[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000518249312 516589198 /nfs/dbraw/zinc/58/91/98/516589198.db2.gz AHJWCAABLYYSLI-AWEZNQCLSA-N 1 0 356.426 2.977 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000523862212 516597683 /nfs/dbraw/zinc/59/76/83/516597683.db2.gz LDXGKWWDZJMCJY-HNNXBMFYSA-N 1 0 357.476 2.548 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000523862213 516598141 /nfs/dbraw/zinc/59/81/41/516598141.db2.gz LDXGKWWDZJMCJY-OAHLLOKOSA-N 1 0 357.476 2.548 20 5 FFBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000558145441 516615744 /nfs/dbraw/zinc/61/57/44/516615744.db2.gz AJWKZVBSXMSQCM-QZTJIDSGSA-N 1 0 371.437 2.934 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@H](C)C[NH+]2CCCCC2)c1 ZINC000540600874 516637658 /nfs/dbraw/zinc/63/76/58/516637658.db2.gz YPJPBAKPRXYNMG-INIZCTEOSA-N 1 0 363.458 2.910 20 5 FFBDRO Cn1cc(C[NH2+]CCOc2ncccc2F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000540622041 516645619 /nfs/dbraw/zinc/64/56/19/516645619.db2.gz CBTVQOVSAQQQAE-UHFFFAOYSA-N 1 0 371.372 2.698 20 5 FFBDRO C[NH+](C)C[C@H]1CCCCN1C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000524199178 516668045 /nfs/dbraw/zinc/66/80/45/516668045.db2.gz SAZLOIXXCLLJKU-CQSZACIVSA-N 1 0 369.849 2.960 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)c1 ZINC000540689994 516670068 /nfs/dbraw/zinc/67/00/68/516670068.db2.gz IWTHSLXCPQOMBM-INIZCTEOSA-N 1 0 361.442 2.805 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000544298836 516687663 /nfs/dbraw/zinc/68/76/63/516687663.db2.gz GSDGHAAOEQYZJH-UONOGXRCSA-N 1 0 364.446 2.666 20 5 FFBDRO CC[NH+](CC)CCOc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531877966 516688387 /nfs/dbraw/zinc/68/83/87/516688387.db2.gz RFTXGDVIDRGWDU-UHFFFAOYSA-N 1 0 372.425 2.640 20 5 FFBDRO Cc1c([C@@H](C)[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000540745050 516693978 /nfs/dbraw/zinc/69/39/78/516693978.db2.gz DMEYTEYPRMUNKE-WBVHZDCISA-N 1 0 364.490 2.646 20 5 FFBDRO CCC[NH+](CCC)CCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000524410752 516714155 /nfs/dbraw/zinc/71/41/55/516714155.db2.gz SSITWLAPEQIQHW-UHFFFAOYSA-N 1 0 357.476 2.694 20 5 FFBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@@H](O)COc1ccccc1)C1CC1 ZINC000531942462 516725634 /nfs/dbraw/zinc/72/56/34/516725634.db2.gz FDPIMXLVYZTGFF-MJGOQNOKSA-N 1 0 356.422 2.945 20 5 FFBDRO C[N@@H+]1CC[C@H](NC(=O)NCCc2ccccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000548094768 516759136 /nfs/dbraw/zinc/75/91/36/516759136.db2.gz OJWUUYCITFPYDK-PKOBYXMFSA-N 1 0 368.437 2.882 20 5 FFBDRO O=C(c1cnn([C@@H]2CCC[NH2+]C2)c1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000518776432 516768834 /nfs/dbraw/zinc/76/88/34/516768834.db2.gz BKTLXKJDDDAKOL-GOSISDBHSA-N 1 0 369.425 2.521 20 5 FFBDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000518808662 516783132 /nfs/dbraw/zinc/78/31/32/516783132.db2.gz TWQKUYLTRUXYKG-OAHLLOKOSA-N 1 0 363.458 2.990 20 5 FFBDRO O=C(NCCC[NH+]1CCCCC1)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000518953328 516829432 /nfs/dbraw/zinc/82/94/32/516829432.db2.gz PIVXFSSBDQIZFE-UHFFFAOYSA-N 1 0 373.457 2.794 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C2CC(c3ccccc3)C2)cc1 ZINC000544597416 516831670 /nfs/dbraw/zinc/83/16/70/516831670.db2.gz FTHPPPXWTVVBQZ-UHFFFAOYSA-N 1 0 360.435 2.904 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000544612081 516836486 /nfs/dbraw/zinc/83/64/86/516836486.db2.gz OXYOUQUFKAYBGS-ZDUSSCGKSA-N 1 0 363.439 2.744 20 5 FFBDRO Cn1ccnc1[C@H](NCC1([NH+](C)C)CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000514082495 516853357 /nfs/dbraw/zinc/85/33/57/516853357.db2.gz HCHDZDKLLGGQDG-QGZVFWFLSA-N 1 0 357.458 2.882 20 5 FFBDRO C[C@@H](C(=O)NCCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000519062487 516870656 /nfs/dbraw/zinc/87/06/56/516870656.db2.gz YXEGNPXYDUZUNO-BZUAXINKSA-N 1 0 363.458 2.704 20 5 FFBDRO COc1cc([C@H](C)NCc2cc([O-])ccc2[N+](=O)[O-])ccc1OCCO ZINC000555420861 516921074 /nfs/dbraw/zinc/92/10/74/516921074.db2.gz PMENICZLJQEQPC-LBPRGKRZSA-N 1 0 362.382 2.531 20 5 FFBDRO CC[C@@H](C)C[C@@H](CC)[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000536827553 516947575 /nfs/dbraw/zinc/94/75/75/516947575.db2.gz PEILCDGNFXJAIL-ZIAGYGMSSA-N 1 0 357.476 2.678 20 5 FFBDRO CC[C@@H](C)C[C@H](CC)[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000536857110 516957907 /nfs/dbraw/zinc/95/79/07/516957907.db2.gz IQOGZZDQLQGLLP-KGLIPLIRSA-N 1 0 357.476 2.678 20 5 FFBDRO COc1cc(CN2CC[NH2+]C[C@@H]2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000514671942 516994677 /nfs/dbraw/zinc/99/46/77/516994677.db2.gz BQIJZAFBFCWGMR-HNNXBMFYSA-N 1 0 371.437 2.976 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C[C@H]3CCCCS3(=O)=O)o2)c1 ZINC000541380891 517021113 /nfs/dbraw/zinc/02/11/13/517021113.db2.gz SSXMIGJEDGBKQP-MRXNPFEDSA-N 1 0 364.423 2.912 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@H]2CC[C@H](c3ccccc3)O2)c1 ZINC000519539854 517035359 /nfs/dbraw/zinc/03/53/59/517035359.db2.gz LJYYUUSIPPGCFF-DFQSSKMNSA-N 1 0 372.421 2.844 20 5 FFBDRO CC1=CC[N@H+](CCNC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000545174169 517085027 /nfs/dbraw/zinc/08/50/27/517085027.db2.gz OTDJRGYLQYQNPV-ZDUSSCGKSA-N 1 0 367.833 2.784 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@H]2C[C@H]2c2ccccc2)cc1 ZINC000541760466 517202008 /nfs/dbraw/zinc/20/20/08/517202008.db2.gz NLCOBDHQZCYOEM-QAPCUYQASA-N 1 0 360.435 2.762 20 5 FFBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCCNc1cc[nH+]cc1 ZINC000541774989 517211120 /nfs/dbraw/zinc/21/11/20/517211120.db2.gz BKNZRPGFLCLAPI-UHFFFAOYSA-N 1 0 360.439 2.754 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NCCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000541820584 517233036 /nfs/dbraw/zinc/23/30/36/517233036.db2.gz FWCXNYQXPYIPLK-AWEZNQCLSA-N 1 0 369.487 2.754 20 5 FFBDRO C[C@@H]([NH2+]C1(CNC(=O)c2c[nH]nc2[N+](=O)[O-])CCCC1)c1ccccc1 ZINC000548943720 517318976 /nfs/dbraw/zinc/31/89/76/517318976.db2.gz WQPMFWXUOWWCHX-CYBMUJFWSA-N 1 0 357.414 2.711 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@@H]3CCc4ccccc4C3)CC2)cn1 ZINC000541985658 517324128 /nfs/dbraw/zinc/32/41/28/517324128.db2.gz GXUKGFDUBQWLDG-MRXNPFEDSA-N 1 0 352.438 2.917 20 5 FFBDRO COc1ccc(CN2CC[N@H+](C)[C@H](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000556507486 517467044 /nfs/dbraw/zinc/46/70/44/517467044.db2.gz CBPCVXVVDWDYKI-GOSISDBHSA-N 1 0 355.438 2.962 20 5 FFBDRO CN(C(=O)C[NH2+]C1(c2ccccc2)CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000533518410 517502574 /nfs/dbraw/zinc/50/25/74/517502574.db2.gz PUYBMIPSAUJLSO-UHFFFAOYSA-N 1 0 369.421 2.853 20 5 FFBDRO Cn1cc([C@H]([NH2+]CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C(C)(C)C)cn1 ZINC000538279586 517538423 /nfs/dbraw/zinc/53/84/23/517538423.db2.gz OALCIYSMYHCVDE-SFHVURJKSA-N 1 0 371.441 2.594 20 5 FFBDRO [NH3+]CC12CCC(CC1)CN2C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000516080550 517558763 /nfs/dbraw/zinc/55/87/63/517558763.db2.gz LQSMZYLKXZIUAL-UHFFFAOYSA-N 1 0 368.231 2.701 20 5 FFBDRO CCCc1n[nH]c(C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000521036525 517587931 /nfs/dbraw/zinc/58/79/31/517587931.db2.gz MENACUXILHPFNY-ZDUSSCGKSA-N 1 0 351.451 2.655 20 5 FFBDRO CC[C@@H]1C[N@H+](C)CCN1C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000556763386 517640583 /nfs/dbraw/zinc/64/05/83/517640583.db2.gz HXPBRZYNTOOMHP-CYBMUJFWSA-N 1 0 374.363 2.849 20 5 FFBDRO [NH3+]C1(CNC(=O)CCNc2ccccc2[N+](=O)[O-])C2CC3CC(C2)CC1C3 ZINC000563113439 517667766 /nfs/dbraw/zinc/66/77/66/517667766.db2.gz QTNLXMCAIBTIBR-UHFFFAOYSA-N 1 0 372.469 2.667 20 5 FFBDRO CCS[C@@H]1CCC[C@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000521426453 517724299 /nfs/dbraw/zinc/72/42/99/517724299.db2.gz BORVBGQPPFLEIQ-SOUVJXGZSA-N 1 0 354.472 2.988 20 5 FFBDRO CCCCO[C@@H]1C[C@@H]([N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)C1(C)C ZINC000534178485 517773439 /nfs/dbraw/zinc/77/34/39/517773439.db2.gz VBGXZRHKKNXPOD-HZPDHXFCSA-N 1 0 351.447 2.672 20 5 FFBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000542889143 517801197 /nfs/dbraw/zinc/80/11/97/517801197.db2.gz OPHFZPWGFABZEV-WDEREUQCSA-N 1 0 357.357 2.751 20 5 FFBDRO CC(C)CN(CC[NH+](C)C)C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000542892054 517801601 /nfs/dbraw/zinc/80/16/01/517801601.db2.gz DXZVBMUDGYLPIO-UHFFFAOYSA-N 1 0 359.373 2.856 20 5 FFBDRO CC[NH+](CC)CC1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000521808033 517857353 /nfs/dbraw/zinc/85/73/53/517857353.db2.gz LBKCMPMKUHQGMY-UHFFFAOYSA-N 1 0 362.474 2.977 20 5 FFBDRO C[C@@H](CN[C@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F)C[NH+]1CCN(C)CC1 ZINC000516871617 517885023 /nfs/dbraw/zinc/88/50/23/517885023.db2.gz CUACZVABVNMZMT-XJKSGUPXSA-N 1 0 374.407 2.671 20 5 FFBDRO CC(C)[N@H+](C)CC1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000521881383 517885569 /nfs/dbraw/zinc/88/55/69/517885569.db2.gz CDUHCJWJTUSYIB-UHFFFAOYSA-N 1 0 363.414 2.516 20 5 FFBDRO CCNC(=O)N1CC[C@H]([NH2+][C@H](CC)CSc2ccccc2[N+](=O)[O-])C1 ZINC000539061342 517899874 /nfs/dbraw/zinc/89/98/74/517899874.db2.gz UJYYCEHRBRSTFX-KGLIPLIRSA-N 1 0 366.487 2.859 20 5 FFBDRO C[C@@H](O)C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000516956454 517940800 /nfs/dbraw/zinc/94/08/00/517940800.db2.gz IBLDRXYKNNPJFR-OAHLLOKOSA-N 1 0 357.410 2.806 20 5 FFBDRO CCCc1n[nH]c(C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](CC)C2)c1[N+](=O)[O-] ZINC000522064516 517974612 /nfs/dbraw/zinc/97/46/12/517974612.db2.gz KTWAFNJHRBYGEX-CYBMUJFWSA-N 1 0 365.478 2.901 20 5 FFBDRO O=[N+]([O-])c1ccc(N[C@H]2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)C2)nc1 ZINC000560729800 517991649 /nfs/dbraw/zinc/99/16/49/517991649.db2.gz OTBMXCOGLQDGPD-PKOBYXMFSA-N 1 0 367.453 2.751 20 5 FFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H](O)CCc1ccccc1 ZINC000543393561 518067595 /nfs/dbraw/zinc/06/75/95/518067595.db2.gz JMYADRYMZOVRQT-HNAYVOBHSA-N 1 0 371.437 2.895 20 5 FFBDRO Cc1cc(N2CC[C@H](Nc3ncccn3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000563710927 518084077 /nfs/dbraw/zinc/08/40/77/518084077.db2.gz XKEOBJJATSCPET-ZDUSSCGKSA-N 1 0 350.382 2.932 20 5 FFBDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000517411317 518142900 /nfs/dbraw/zinc/14/29/00/518142900.db2.gz ZXCLYMFWDQWRAX-GASCZTMLSA-N 1 0 363.462 2.569 20 5 FFBDRO CCCC[C@@H](C)[C@H](C)[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000517427706 518146664 /nfs/dbraw/zinc/14/66/64/518146664.db2.gz DCYPUJMRTWYSRE-KGLIPLIRSA-N 1 0 357.476 2.678 20 5 FFBDRO C[C@@H]1CN(CC[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000539814922 518166545 /nfs/dbraw/zinc/16/65/45/518166545.db2.gz YKMGWZIZLZFPTM-OXQOHEQNSA-N 1 0 355.438 2.995 20 5 FFBDRO Cc1ccc([C@H](C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)N(C)C)cc1 ZINC000584226834 518237371 /nfs/dbraw/zinc/23/73/71/518237371.db2.gz QSUZKNRITYLPQG-ICSRJNTNSA-N 1 0 373.453 2.535 20 5 FFBDRO COc1ccc(OCC[N@@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000566884676 518246728 /nfs/dbraw/zinc/24/67/28/518246728.db2.gz QNOLNTSZRCZQRF-IRXDYDNUSA-N 1 0 350.415 2.872 20 5 FFBDRO CCO[C@H]1C[C@H]([NH2+]CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C12CCCC2 ZINC000581396717 518263844 /nfs/dbraw/zinc/26/38/44/518263844.db2.gz QRMADWKUKNEAJT-ROUUACIJSA-N 1 0 373.453 2.811 20 5 FFBDRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000567018622 518314149 /nfs/dbraw/zinc/31/41/49/518314149.db2.gz CETATWUXJXNCMC-HNNXBMFYSA-N 1 0 365.474 2.715 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])cc1SC ZINC000581543003 518337576 /nfs/dbraw/zinc/33/75/76/518337576.db2.gz YLEGJTRVAGRGLM-CMPLNLGQSA-N 1 0 353.444 2.667 20 5 FFBDRO CC(C)[C@H](CNc1nc2c(cc1[N+](=O)[O-])CCCC2)[NH+]1CCN(C)CC1 ZINC000569922221 518357009 /nfs/dbraw/zinc/35/70/09/518357009.db2.gz CEWXOFDMGOQJRY-SFHVURJKSA-N 1 0 361.490 2.553 20 5 FFBDRO CCc1ccc(CC[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000584586009 518410777 /nfs/dbraw/zinc/41/07/77/518410777.db2.gz HNKGAQVQANURIJ-UHFFFAOYSA-N 1 0 362.451 2.763 20 5 FFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000584690317 518430622 /nfs/dbraw/zinc/43/06/22/518430622.db2.gz FYDKUQNCDQBKED-MRXNPFEDSA-N 1 0 352.460 2.716 20 5 FFBDRO CO[C@@H](C)[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000567318651 518461581 /nfs/dbraw/zinc/46/15/81/518461581.db2.gz SHSZARIFKBHESJ-UTLUCORTSA-N 1 0 363.336 2.954 20 5 FFBDRO [NH3+]CCCN(CC1CCCC1)C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000579005742 518478226 /nfs/dbraw/zinc/47/82/26/518478226.db2.gz OAQQTXHUNANXSQ-UHFFFAOYSA-N 1 0 372.425 2.830 20 5 FFBDRO C[NH2+]CCS[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000567349953 518480523 /nfs/dbraw/zinc/48/05/23/518480523.db2.gz IQPRLNGIVLUPTD-MRVPVSSYSA-N 1 0 351.350 2.893 20 5 FFBDRO CSC1(CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC[NH+](C)CC1 ZINC000564560540 518502626 /nfs/dbraw/zinc/50/26/26/518502626.db2.gz DGOJRSNLNHCYEC-UHFFFAOYSA-N 1 0 364.471 2.719 20 5 FFBDRO CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000584850577 518508388 /nfs/dbraw/zinc/50/83/88/518508388.db2.gz HOXRPZIKJVGBEN-INIZCTEOSA-N 1 0 371.441 2.521 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000564607404 518523817 /nfs/dbraw/zinc/52/38/17/518523817.db2.gz LLXDGBDWBDVREU-WBVHZDCISA-N 1 0 360.385 2.963 20 5 FFBDRO Cc1ccc(NCCC[NH2+]CCC(=O)Nc2cccnc2)c([N+](=O)[O-])c1 ZINC000570274037 518527514 /nfs/dbraw/zinc/52/75/14/518527514.db2.gz UUVOEPQAGNCXBN-UHFFFAOYSA-N 1 0 357.414 2.719 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000567541548 518575186 /nfs/dbraw/zinc/57/51/86/518575186.db2.gz FDDPGRFOINMXNQ-RDJZCZTQSA-N 1 0 360.385 2.963 20 5 FFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]Cc1ccc2cnn(C)c2c1 ZINC000582096437 518585258 /nfs/dbraw/zinc/58/52/58/518585258.db2.gz XCWSGNLPBACTJC-CYBMUJFWSA-N 1 0 367.409 2.988 20 5 FFBDRO CCC[C@H]([NH2+]C[C@H]1CCCCN1S(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000579264495 518599050 /nfs/dbraw/zinc/59/90/50/518599050.db2.gz STGHUENZEXIEOM-SJORKVTESA-N 1 0 369.487 2.840 20 5 FFBDRO O=C(CC[NH2+]Cc1ccc(OCC2CC2)nc1)Nc1ccccc1[N+](=O)[O-] ZINC000570444005 518608290 /nfs/dbraw/zinc/60/82/90/518608290.db2.gz IKIYGZZWPBPXSK-UHFFFAOYSA-N 1 0 370.409 2.897 20 5 FFBDRO Cc1noc(C2CCC([NH2+]CCC(=O)Nc3ccccc3[N+](=O)[O-])CC2)n1 ZINC000576508422 518626634 /nfs/dbraw/zinc/62/66/34/518626634.db2.gz DCZSOESYMGHMEG-UHFFFAOYSA-N 1 0 373.413 2.931 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H]2CCc3c2ccc(Cl)c3Cl)c1 ZINC000576512257 518628130 /nfs/dbraw/zinc/62/81/30/518628130.db2.gz RYAXMVGIGLPXLI-IINYFYTJSA-N 1 0 371.224 2.736 20 5 FFBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])C[C@@H]21 ZINC000567668010 518641154 /nfs/dbraw/zinc/64/11/54/518641154.db2.gz NVHJWRXPGOYTQA-WCFLWFBJSA-N 1 0 369.874 2.926 20 5 FFBDRO CC(C)C[C@@](C)(C[NH3+])NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000564835111 518642019 /nfs/dbraw/zinc/64/20/19/518642019.db2.gz ONSPBWXRSHXPIH-AWEZNQCLSA-N 1 0 358.236 2.851 20 5 FFBDRO COC[C@@H](Cc1ccccc1)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000564848014 518650820 /nfs/dbraw/zinc/65/08/20/518650820.db2.gz CCAIVILMPQCGBG-MRXNPFEDSA-N 1 0 357.410 2.771 20 5 FFBDRO Cc1c2ccccc2n(C)c1C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000567699725 518663498 /nfs/dbraw/zinc/66/34/98/518663498.db2.gz ZOLFYJCWKPWFGK-INIZCTEOSA-N 1 0 369.421 2.924 20 5 FFBDRO COc1cccc(C2(C[NH2+]C[C@H](O)COc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000564868896 518664485 /nfs/dbraw/zinc/66/44/85/518664485.db2.gz KFXJTSAMGUNUKQ-INIZCTEOSA-N 1 0 372.421 2.665 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@H]2SCCc3ccccc32)c1 ZINC000567725717 518677354 /nfs/dbraw/zinc/67/73/54/518677354.db2.gz GQBWNBPQEHFDRY-QFBILLFUSA-N 1 0 374.462 2.955 20 5 FFBDRO O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000573478606 518685772 /nfs/dbraw/zinc/68/57/72/518685772.db2.gz QLRIWIUUCXZEPR-QZTJIDSGSA-N 1 0 371.441 2.545 20 5 FFBDRO Cn1cc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])c(-c2ccccc2)n1 ZINC000579528220 518721717 /nfs/dbraw/zinc/72/17/17/518721717.db2.gz FFQJOCZYNGFHFG-UHFFFAOYSA-N 1 0 351.410 2.961 20 5 FFBDRO COc1cc(CC[NH2+]C[C@@H](O)[C@@H](C)c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000576704182 518723497 /nfs/dbraw/zinc/72/34/97/518723497.db2.gz RSRWTOMLFOHHLB-KBXCAEBGSA-N 1 0 374.437 2.909 20 5 FFBDRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000570706290 518740633 /nfs/dbraw/zinc/74/06/33/518740633.db2.gz FUWQBTZIUCGWGE-GASCZTMLSA-N 1 0 350.438 2.729 20 5 FFBDRO C[N@@H+]1CCC[C@@H](CNC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000573633610 518760011 /nfs/dbraw/zinc/76/00/11/518760011.db2.gz MFEREMLEOWIZLC-NSHDSACASA-N 1 0 374.363 2.755 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])o1)N1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000588841069 518846209 /nfs/dbraw/zinc/84/62/09/518846209.db2.gz LYACARFMYMGXJF-UHFFFAOYSA-N 1 0 352.350 2.698 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[C@@]2(CCS(=O)(=O)C2)C1 ZINC000579797978 518854501 /nfs/dbraw/zinc/85/45/01/518854501.db2.gz WECFTDJJZUEZMA-WMLDXEAASA-N 1 0 352.456 2.865 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CCCc2cccc(F)c2)cc1 ZINC000579824710 518872827 /nfs/dbraw/zinc/87/28/27/518872827.db2.gz RVLFVGROOCCSGG-UHFFFAOYSA-N 1 0 366.414 2.730 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000568150516 518896932 /nfs/dbraw/zinc/89/69/32/518896932.db2.gz KUWFAACXARVAMK-DLGFLZQMSA-N 1 0 367.833 2.745 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)CCn1cc(Br)cn1 ZINC000565625402 519047987 /nfs/dbraw/zinc/04/79/87/519047987.db2.gz HTEIOCMLEBBZON-UHFFFAOYSA-N 1 0 353.220 2.994 20 5 FFBDRO O=C(NC[C@H]1CCCC[N@H+]1CCO)c1cc2ccccc2c2cccnc12 ZINC000583066163 519059609 /nfs/dbraw/zinc/05/96/09/519059609.db2.gz QJIPMBOYDOYRFK-QGZVFWFLSA-N 1 0 363.461 2.965 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000565711294 519095012 /nfs/dbraw/zinc/09/50/12/519095012.db2.gz QPHGDOYWSLXDIL-UHFFFAOYSA-N 1 0 369.425 2.577 20 5 FFBDRO [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000571443702 519099487 /nfs/dbraw/zinc/09/94/87/519099487.db2.gz JWPZRTPPDXQPIL-LJQANCHMSA-N 1 0 366.421 2.867 20 5 FFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc2cnn(C)c2c1 ZINC000571491988 519120390 /nfs/dbraw/zinc/12/03/90/519120390.db2.gz BBESUHGTMJGLAW-ZDUSSCGKSA-N 1 0 367.409 2.988 20 5 FFBDRO CCn1cc(CN(CCO)Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)cn1 ZINC000568606231 519125363 /nfs/dbraw/zinc/12/53/63/519125363.db2.gz PGQGQXQNUBRILE-UHFFFAOYSA-N 1 0 372.347 2.825 20 5 FFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1CCCCN1C1CC1 ZINC000580399539 519154875 /nfs/dbraw/zinc/15/48/75/519154875.db2.gz INQRCXYUQMKSRB-KDOFPFPSSA-N 1 0 360.458 2.918 20 5 FFBDRO CC1(C)CN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC[N@@H+]1CCO ZINC000590175408 519169386 /nfs/dbraw/zinc/16/93/86/519169386.db2.gz OISWMUNUHWPECQ-UHFFFAOYSA-N 1 0 361.364 2.502 20 5 FFBDRO [NH3+]C[C@@H]1c2ccccc2CCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000580446138 519182139 /nfs/dbraw/zinc/18/21/39/519182139.db2.gz WTHZMFBHAOIUQV-QGZVFWFLSA-N 1 0 374.828 2.745 20 5 FFBDRO COCC1(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCCCC1 ZINC000574566933 519219955 /nfs/dbraw/zinc/21/99/55/519219955.db2.gz VBIPTEVFBXUNIG-OAHLLOKOSA-N 1 0 352.431 2.521 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000571690764 519222747 /nfs/dbraw/zinc/22/27/47/519222747.db2.gz LXGCTGOENGEFFE-CYBMUJFWSA-N 1 0 363.805 2.639 20 5 FFBDRO COC(=O)c1ccnc(NC[C@@H](c2ccsc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000590571581 519270687 /nfs/dbraw/zinc/27/06/87/519270687.db2.gz SDZJDWASWVCGSJ-LBPRGKRZSA-N 1 0 350.400 2.553 20 5 FFBDRO COC(=O)c1c(Cl)c(N2CC[C@H]3CC[N@H+](C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000590582899 519274613 /nfs/dbraw/zinc/27/46/13/519274613.db2.gz WDWXPXBNLYVCQQ-MFKMUULPSA-N 1 0 353.806 2.565 20 5 FFBDRO CC[NH+]1CCN([C@@H](C)CN[C@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)CC1 ZINC000574815851 519346226 /nfs/dbraw/zinc/34/62/26/519346226.db2.gz JCSXSFSDMNGZAV-XJKSGUPXSA-N 1 0 374.407 2.814 20 5 FFBDRO CC(C)(C)OC(=O)CN(CCc1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000569129320 519393731 /nfs/dbraw/zinc/39/37/31/519393731.db2.gz NXXZPIXVNQZAMZ-UHFFFAOYSA-N 1 0 364.442 2.960 20 5 FFBDRO O=C(CC[N@@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1)Nc1ccc([N+](=O)[O-])cc1 ZINC000583722171 519398032 /nfs/dbraw/zinc/39/80/32/519398032.db2.gz KUVKKBOEOORSRA-WMZOPIPTSA-N 1 0 359.426 2.957 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CC[C@@H]1CCc2ccccc2N1 ZINC000583748315 519414052 /nfs/dbraw/zinc/41/40/52/519414052.db2.gz YNTGDZFQIYIXAG-DLBZAZTESA-N 1 0 371.437 2.741 20 5 FFBDRO O=C1c2ccccc2C(=O)N1CCC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000580962549 519452494 /nfs/dbraw/zinc/45/24/94/519452494.db2.gz GWVJUFRXLQCMJU-QGZVFWFLSA-N 1 0 365.389 2.858 20 5 FFBDRO [NH3+]Cc1ccc(CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000581010064 519475501 /nfs/dbraw/zinc/47/55/01/519475501.db2.gz WSKGMRYUETXKJX-UHFFFAOYSA-N 1 0 354.410 2.928 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCCOCC(F)(F)F)n1 ZINC000583911464 519494726 /nfs/dbraw/zinc/49/47/26/519494726.db2.gz HGRCRGUNIVWRFL-VXGBXAGGSA-N 1 0 350.341 2.834 20 5 FFBDRO C[C@@H]1CCCC[N@@H+]1CCNc1ccc([N+](=O)[O-])c(N2CCOCC2)c1F ZINC000578378713 519561657 /nfs/dbraw/zinc/56/16/57/519561657.db2.gz NATDIKHUYVSEBY-CQSZACIVSA-N 1 0 366.437 2.857 20 5 FFBDRO CC[C@@H]1CN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CC[C@@H]1[NH3+] ZINC000591279352 519572447 /nfs/dbraw/zinc/57/24/47/519572447.db2.gz MMKJHNMVCDQQDF-KOLCDFICSA-N 1 0 358.345 2.787 20 5 FFBDRO COc1cccc([N+](=O)[O-])c1N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000575331274 519592544 /nfs/dbraw/zinc/59/25/44/519592544.db2.gz OROJJJUQXYDVQZ-UHFFFAOYSA-N 1 0 362.474 2.598 20 5 FFBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000591356112 519607473 /nfs/dbraw/zinc/60/74/73/519607473.db2.gz NULWUQBYEFSACG-IAGOWNOFSA-N 1 0 360.458 2.559 20 5 FFBDRO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000591357240 519607637 /nfs/dbraw/zinc/60/76/37/519607637.db2.gz SNAFJLUAPNFQEK-RISCZKNCSA-N 1 0 372.347 2.507 20 5 FFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000591402566 519617718 /nfs/dbraw/zinc/61/77/18/519617718.db2.gz WOVJQOBTBZMUSX-HIFRSBDPSA-N 1 0 359.348 2.649 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@H](C(=O)OC(C)(C)C)CC[C@H]1C ZINC000602848467 519924327 /nfs/dbraw/zinc/92/43/27/519924327.db2.gz VNCCRDVNUCOIGI-TZMCWYRMSA-N 1 0 352.435 2.542 20 5 FFBDRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000616174043 519931766 /nfs/dbraw/zinc/93/17/66/519931766.db2.gz XUGFEUBFABUTLF-VXGBXAGGSA-N 1 0 357.863 2.939 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](C)c1c(C)noc1C ZINC000612461630 519973120 /nfs/dbraw/zinc/97/31/20/519973120.db2.gz LTTKCGTZMTWLMR-JTQLQIEISA-N 1 0 362.386 2.888 20 5 FFBDRO Cc1cc(S(=O)(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)c(C)cc1[N+](=O)[O-] ZINC000594483698 519993392 /nfs/dbraw/zinc/99/33/92/519993392.db2.gz NZNCHLLGFQMLII-LSDHHAIUSA-N 1 0 367.471 2.507 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H](C)[C@H]2C[NH3+])cc1SC ZINC000591676380 519995308 /nfs/dbraw/zinc/99/53/08/519995308.db2.gz OFWUBWQXGZIUSQ-GXFFZTMASA-N 1 0 353.444 2.525 20 5 FFBDRO CSc1ccc(C(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)cc1[N+](=O)[O-] ZINC000591681374 519996493 /nfs/dbraw/zinc/99/64/93/519996493.db2.gz METTWCKBMCYHOH-LBPRGKRZSA-N 1 0 358.423 2.780 20 5 FFBDRO C[C@@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1nc2ccccc2[nH]1 ZINC000591723972 520011678 /nfs/dbraw/zinc/01/16/78/520011678.db2.gz XFIJSXBGIOMINY-TZMCWYRMSA-N 1 0 356.382 2.562 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@H]1CCc2ccccc2C1 ZINC000591741848 520019251 /nfs/dbraw/zinc/01/92/51/520019251.db2.gz XDMQDHRJHDLVKZ-MAUKXSAKSA-N 1 0 356.422 2.729 20 5 FFBDRO C[C@H](C[NH+]1CCCCC1)Nc1ccc([N+](=O)[O-])c(N2CCOCC2)c1F ZINC000594544606 520019284 /nfs/dbraw/zinc/01/92/84/520019284.db2.gz GQBZGBCNLGFWPL-CQSZACIVSA-N 1 0 366.437 2.857 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCN4CCOC[C@@H]4C3)s2)cc1 ZINC000612589959 520037512 /nfs/dbraw/zinc/03/75/12/520037512.db2.gz DZWLSZKZLMZXFD-INIZCTEOSA-N 1 0 359.451 2.840 20 5 FFBDRO COC(=O)COc1ccc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3)cc1[N+](=O)[O-] ZINC000600190178 520109944 /nfs/dbraw/zinc/10/99/44/520109944.db2.gz MNYWWKPKPHJFFA-KGLIPLIRSA-N 1 0 366.439 2.617 20 5 FFBDRO COC(=O)[C@]1(OC)CC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000600194021 520115130 /nfs/dbraw/zinc/11/51/30/520115130.db2.gz ZWCHVHWDFNPVEP-SFHVURJKSA-N 1 0 360.366 2.619 20 5 FFBDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000608852762 520145838 /nfs/dbraw/zinc/14/58/38/520145838.db2.gz FVIHPNGJTOODMG-GFCCVEGCSA-N 1 0 351.403 2.564 20 5 FFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1Cn1cc(C[C@H]2CCC[NH2+]C2)nn1 ZINC000603213805 520161834 /nfs/dbraw/zinc/16/18/34/520161834.db2.gz CGWBLSKFCICVMN-CQSZACIVSA-N 1 0 359.430 2.564 20 5 FFBDRO C[C@H](c1ccccc1[N+](=O)[O-])n1cc(C[C@H]([NH3+])Cc2ccccc2)nn1 ZINC000603214330 520162331 /nfs/dbraw/zinc/16/23/31/520162331.db2.gz HXSPOTMRMSLPAR-GDBMZVCRSA-N 1 0 351.410 2.908 20 5 FFBDRO COc1ccc(CC(=O)N2CCC(C[N@H+](C)C(C)C)CC2)cc1[N+](=O)[O-] ZINC000609016451 520179024 /nfs/dbraw/zinc/17/90/24/520179024.db2.gz BXNNIDQAWJQFGV-UHFFFAOYSA-N 1 0 363.458 2.725 20 5 FFBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000597695954 520180278 /nfs/dbraw/zinc/18/02/78/520180278.db2.gz APMYMQSLORNIEM-BXKDBHETSA-N 1 0 356.220 2.522 20 5 FFBDRO Cc1c(Br)cc(C(=O)N2CC[C@@H]([NH+](C)C)[C@H]2C)cc1[N+](=O)[O-] ZINC000597700046 520185597 /nfs/dbraw/zinc/18/55/97/520185597.db2.gz LHBBFKDVCQKLPY-ZWNOBZJWSA-N 1 0 370.247 2.830 20 5 FFBDRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1cc(-c3ccc([N+](=O)[O-])cc3)n[nH]1)C2 ZINC000597710868 520190597 /nfs/dbraw/zinc/19/05/97/520190597.db2.gz PPFGAEXPYMVJFH-IBGZPJMESA-N 1 0 369.425 2.543 20 5 FFBDRO O=C(NCc1ccccc1)[C@@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000592153439 520228575 /nfs/dbraw/zinc/22/85/75/520228575.db2.gz ARNIILOSPHYCJQ-QGZVFWFLSA-N 1 0 369.421 2.612 20 5 FFBDRO C[C@H]1CC[C@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CS1(=O)=O ZINC000594973446 520236672 /nfs/dbraw/zinc/23/66/72/520236672.db2.gz BRVGLFWJSWILOI-JSGCOSHPSA-N 1 0 364.423 2.910 20 5 FFBDRO COc1cc(OCc2nc(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)no2)ccc1[N+](=O)[O-] ZINC000612955306 520237213 /nfs/dbraw/zinc/23/72/13/520237213.db2.gz XHRKDDBEQDEPGW-YHWZYXNKSA-N 1 0 374.397 2.906 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCCO[C@@H](c3ccccc3)C2)c1 ZINC000609233546 520240715 /nfs/dbraw/zinc/24/07/15/520240715.db2.gz GJBNUVJJLIMQHN-AZUAARDMSA-N 1 0 372.421 2.798 20 5 FFBDRO CC(C)[C@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C1(CO)CC=CC1 ZINC000592178253 520247931 /nfs/dbraw/zinc/24/79/31/520247931.db2.gz QBCIZTRRJHEFJU-SFHVURJKSA-N 1 0 361.442 2.501 20 5 FFBDRO C[C@H]1CC2(C[N@@H+]1[C@@H]1CCN(c3cccc([N+](=O)[O-])c3)C1=O)CCOCC2 ZINC000592183922 520250118 /nfs/dbraw/zinc/25/01/18/520250118.db2.gz LFJILTUSDNKZTN-WMLDXEAASA-N 1 0 359.426 2.591 20 5 FFBDRO C[C@H]1COCC[N@@H+]1C1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000603403876 520250331 /nfs/dbraw/zinc/25/03/31/520250331.db2.gz WIXMIBBWCAJVCI-AWEZNQCLSA-N 1 0 356.426 2.833 20 5 FFBDRO C[NH+]1CCC2(CC1)CN(Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)CCO2 ZINC000592185269 520252803 /nfs/dbraw/zinc/25/28/03/520252803.db2.gz WPKIWQNJPXCZGF-UHFFFAOYSA-N 1 0 373.375 2.910 20 5 FFBDRO CCc1cc(NC[C@H](C2CC2)[NH+](C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000609287376 520257948 /nfs/dbraw/zinc/25/79/48/520257948.db2.gz FVWLPXILWSKMKC-QGZVFWFLSA-N 1 0 355.442 2.788 20 5 FFBDRO Cn1ccnc1[C@H](NC[C@@H]1CC[N@@H+]1C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000595049796 520270649 /nfs/dbraw/zinc/27/06/49/520270649.db2.gz OTESUQYCRXTNJU-DLBZAZTESA-N 1 0 357.458 2.880 20 5 FFBDRO Cn1ccnc1[C@H](N[C@H]1CC[N@@H+](C(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000595056500 520271494 /nfs/dbraw/zinc/27/14/94/520271494.db2.gz KAFKUOFDGUBJCL-DOTOQJQBSA-N 1 0 357.458 2.880 20 5 FFBDRO C[NH+](C)C[C@H](NC(=O)c1cc([N+](=O)[O-])n[nH]1)c1ccc(Cl)c(Cl)c1 ZINC000600472662 520279421 /nfs/dbraw/zinc/27/94/21/520279421.db2.gz NYVLPGAUUWMFQM-LBPRGKRZSA-N 1 0 372.212 2.657 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000597859709 520285455 /nfs/dbraw/zinc/28/54/55/520285455.db2.gz GBXSDZXXEPADTL-LLVKDONJSA-N 1 0 355.385 2.652 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000597859710 520287456 /nfs/dbraw/zinc/28/74/56/520287456.db2.gz GBXSDZXXEPADTL-NSHDSACASA-N 1 0 355.385 2.652 20 5 FFBDRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000609346502 520290350 /nfs/dbraw/zinc/29/03/50/520290350.db2.gz INJPEQSSEOKAPK-GJZGRUSLSA-N 1 0 371.441 2.773 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC(C)(C)[C@]1(O)CCCOC1 ZINC000595093496 520291051 /nfs/dbraw/zinc/29/10/51/520291051.db2.gz BMRBVPIDMAXERI-UGSOOPFHSA-N 1 0 352.431 2.822 20 5 FFBDRO CCCc1n[nH]c(C(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000609476678 520323815 /nfs/dbraw/zinc/32/38/15/520323815.db2.gz YIALTOAPMGUINC-OKILXGFUSA-N 1 0 365.478 2.758 20 5 FFBDRO Cc1c(NC(=O)CC[NH2+][C@](C)(CO)c2ccccc2)cccc1[N+](=O)[O-] ZINC000609483984 520327316 /nfs/dbraw/zinc/32/73/16/520327316.db2.gz YQESASVLRRFQKC-LJQANCHMSA-N 1 0 357.410 2.729 20 5 FFBDRO CCN(C(=O)c1ccc([N+](=O)[O-])cc1Br)[C@H]1CC[N@H+](C)C1 ZINC000597945000 520343934 /nfs/dbraw/zinc/34/39/34/520343934.db2.gz GETLWDZNSRNFKO-NSHDSACASA-N 1 0 356.220 2.524 20 5 FFBDRO COc1cc(C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)cc([N+](=O)[O-])c1C ZINC000595222542 520358495 /nfs/dbraw/zinc/35/84/95/520358495.db2.gz MFVJFUIXYAOCIS-HNNXBMFYSA-N 1 0 361.442 2.764 20 5 FFBDRO Cc1cccc2nc(CC[NH2+]Cc3cc4c(cc3[N+](=O)[O-])OCCO4)cn21 ZINC000592378986 520359414 /nfs/dbraw/zinc/35/94/14/520359414.db2.gz IJJDGQRLEVXEOK-UHFFFAOYSA-N 1 0 368.393 2.654 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000595225833 520360606 /nfs/dbraw/zinc/36/06/06/520360606.db2.gz OWYNYZDVDBHFIX-QZTJIDSGSA-N 1 0 357.385 2.999 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](c3cccc(F)c3)[C@H]([NH3+])C2)c1 ZINC000595225787 520361145 /nfs/dbraw/zinc/36/11/45/520361145.db2.gz OIFMOGJGSKKFPU-NVXWUHKLSA-N 1 0 357.385 2.999 20 5 FFBDRO COc1cccc(C(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)c1[N+](=O)[O-] ZINC000595258176 520376360 /nfs/dbraw/zinc/37/63/60/520376360.db2.gz RNJHZRSPWBIFEW-MRXNPFEDSA-N 1 0 357.366 2.517 20 5 FFBDRO COc1cccc(C(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)c1[N+](=O)[O-] ZINC000595258175 520377097 /nfs/dbraw/zinc/37/70/97/520377097.db2.gz RNJHZRSPWBIFEW-INIZCTEOSA-N 1 0 357.366 2.517 20 5 FFBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000595262618 520379033 /nfs/dbraw/zinc/37/90/33/520379033.db2.gz OSEITWFCOYVKDX-KRWDZBQOSA-N 1 0 360.458 2.559 20 5 FFBDRO CC[NH+]1CCN(Cc2ccc(CNc3cccnc3[N+](=O)[O-])cc2)CC1 ZINC000603857018 520380511 /nfs/dbraw/zinc/38/05/11/520380511.db2.gz LUXIAVDEYDFLAN-UHFFFAOYSA-N 1 0 355.442 2.739 20 5 FFBDRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595298055 520391695 /nfs/dbraw/zinc/39/16/95/520391695.db2.gz NZNARZINWSZKAL-HOTGVXAUSA-N 1 0 364.465 2.724 20 5 FFBDRO CCC1([NH+]2CCOCC2)CCN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000600684411 520395597 /nfs/dbraw/zinc/39/55/97/520395597.db2.gz VQYNCGJGESBAPC-UHFFFAOYSA-N 1 0 361.442 2.620 20 5 FFBDRO O=C1N[C@@H]2CCCC[C@@H]2C[C@H]1[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000595331484 520412117 /nfs/dbraw/zinc/41/21/17/520412117.db2.gz VRFJLGUXYUKBPU-NIKGAXFTSA-N 1 0 373.453 2.885 20 5 FFBDRO C[NH+](C)CC[C@@H](NC(=O)NCCNc1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000609710159 520413054 /nfs/dbraw/zinc/41/30/54/520413054.db2.gz VFBVCONMIPZHDB-MRXNPFEDSA-N 1 0 365.478 2.672 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000609708639 520413106 /nfs/dbraw/zinc/41/31/06/520413106.db2.gz ISRYZRBCKSVVDA-OAHLLOKOSA-N 1 0 357.476 2.548 20 5 FFBDRO Cc1cccc2c1C[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])CO2 ZINC000600745936 520442840 /nfs/dbraw/zinc/44/28/40/520442840.db2.gz GSHRFAXEGISJNV-AWEZNQCLSA-N 1 0 355.394 2.825 20 5 FFBDRO CC[C@@H]1CN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000592544980 520451479 /nfs/dbraw/zinc/45/14/79/520451479.db2.gz LFXLCLRLZXGADC-PWSUYJOCSA-N 1 0 357.863 2.926 20 5 FFBDRO COc1ccc(CNC(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000604105760 520451506 /nfs/dbraw/zinc/45/15/06/520451506.db2.gz XQARYGNLMCUFGU-KGLIPLIRSA-N 1 0 364.446 2.523 20 5 FFBDRO COc1ccc(CNC(=O)NCc2ccc(C[NH+](C)C)cc2)cc1[N+](=O)[O-] ZINC000604105085 520452277 /nfs/dbraw/zinc/45/22/77/520452277.db2.gz FYCBUWFNFWUCID-UHFFFAOYSA-N 1 0 372.425 2.664 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3CCCS(=O)(=O)C3)s2)cc1 ZINC000609851467 520457117 /nfs/dbraw/zinc/45/71/17/520457117.db2.gz MXJYGHNADLYGAF-CYBMUJFWSA-N 1 0 366.464 2.990 20 5 FFBDRO CN(CC1C[NH+](C)C1)C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000598161234 520460030 /nfs/dbraw/zinc/46/00/30/520460030.db2.gz DDTFIRNBOFXBLV-UHFFFAOYSA-N 1 0 368.437 2.841 20 5 FFBDRO CNS(=O)(=O)c1ccc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000595419218 520460260 /nfs/dbraw/zinc/46/02/60/520460260.db2.gz IJPUBNSIWUAVKS-CYBMUJFWSA-N 1 0 363.439 2.662 20 5 FFBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@H](CO)[C@@H](C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000613389177 520479244 /nfs/dbraw/zinc/47/92/44/520479244.db2.gz KHAFNDDJALRQHU-DHSIGJKJSA-N 1 0 371.437 2.984 20 5 FFBDRO CCOC(=O)c1ccnc(NC[C@@H](c2ccsc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000609961342 520490248 /nfs/dbraw/zinc/49/02/48/520490248.db2.gz KZMSJAFPNOZUCP-ZDUSSCGKSA-N 1 0 364.427 2.943 20 5 FFBDRO COc1cc(C[NH2+][C@@H](C(C)C)[C@H](O)C(F)(F)F)c([N+](=O)[O-])cc1F ZINC000595482331 520500762 /nfs/dbraw/zinc/50/07/62/520500762.db2.gz NMBJXWWQDAVAHS-STQMWFEESA-N 1 0 354.300 2.780 20 5 FFBDRO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000598218501 520501041 /nfs/dbraw/zinc/50/10/41/520501041.db2.gz GOHNYZQYOOFCLE-GFCCVEGCSA-N 1 0 367.396 2.939 20 5 FFBDRO COCC1([NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])CCOCC1 ZINC000595499060 520510134 /nfs/dbraw/zinc/51/01/34/520510134.db2.gz KMKJBIRMFRWKFX-UHFFFAOYSA-N 1 0 359.220 2.643 20 5 FFBDRO C[C@H](CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000604437762 520563223 /nfs/dbraw/zinc/56/32/23/520563223.db2.gz RDYRDTDQBLKMNI-HUUCEWRRSA-N 1 0 371.441 2.631 20 5 FFBDRO CCC[N@H+](C)CC(C)(C)NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000598466398 520629425 /nfs/dbraw/zinc/62/94/25/520629425.db2.gz SLWMZSYWYPDSIN-UHFFFAOYSA-N 1 0 359.430 2.631 20 5 FFBDRO C[N@@H+]1C[C@@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2)[C@H](c2ccccc2)C1 ZINC000592879705 520629834 /nfs/dbraw/zinc/62/98/34/520629834.db2.gz BUMVQZRQSRNAHO-MJGOQNOKSA-N 1 0 353.422 2.599 20 5 FFBDRO O=[N+]([O-])c1ccc2nccc(N3CCC(C[NH+]4CCOCC4)CC3)c2c1 ZINC000601105027 520638173 /nfs/dbraw/zinc/63/81/73/520638173.db2.gz RAPSXKXDHHZPST-UHFFFAOYSA-N 1 0 356.426 2.692 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+]C2(CO)C3CC4CC(C3)CC2C4)c1 ZINC000593033809 520696955 /nfs/dbraw/zinc/69/69/55/520696955.db2.gz BDUTZSYXZDHUHP-UHFFFAOYSA-N 1 0 374.437 2.658 20 5 FFBDRO C[C@@H](CCNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)[NH+](C)C ZINC000617747730 520700830 /nfs/dbraw/zinc/70/08/30/520700830.db2.gz GWQRJKYPIBQMEV-HNNXBMFYSA-N 1 0 351.450 2.611 20 5 FFBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000598560436 520705823 /nfs/dbraw/zinc/70/58/23/520705823.db2.gz LXOWJZIJAKBZOT-HNNXBMFYSA-N 1 0 363.483 2.925 20 5 FFBDRO O=C(NC[C@H]1CCC[N@H+](CC2CC2)C1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000598560487 520705867 /nfs/dbraw/zinc/70/58/67/520705867.db2.gz MVOZLOQPKDDKIZ-CQSZACIVSA-N 1 0 356.426 2.928 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH+]2CCC([C@@H]3CCCCO3)CC2)c1 ZINC000595785220 520721775 /nfs/dbraw/zinc/72/17/75/520721775.db2.gz CSYYINXGHKLDEV-HKUYNNGSSA-N 1 0 364.442 2.616 20 5 FFBDRO O=C1[C@H]([N@@H+]2CCC[C@H]([C@H]3CCCCO3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000595786255 520723913 /nfs/dbraw/zinc/72/39/13/520723913.db2.gz HDASYRNGCNDLSF-KFKAGJAMSA-N 1 0 373.453 2.981 20 5 FFBDRO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000610523061 520727486 /nfs/dbraw/zinc/72/74/86/520727486.db2.gz DQGVXZYSYMSKJP-OAHLLOKOSA-N 1 0 368.437 2.914 20 5 FFBDRO CC[C@@H](NC(=O)N1CCN(c2cc[nH+]cc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000610530936 520730268 /nfs/dbraw/zinc/73/02/68/520730268.db2.gz ZTMZJOOAHNCGIW-GOSISDBHSA-N 1 0 369.425 2.973 20 5 FFBDRO CC(C)([NH2+]Cc1cccc(NS(C)(=O)=O)c1)c1ccc([N+](=O)[O-])cc1 ZINC000610575290 520745368 /nfs/dbraw/zinc/74/53/68/520745368.db2.gz XPTMSUJQMBWJDV-UHFFFAOYSA-N 1 0 363.439 2.991 20 5 FFBDRO CCOc1cc(CN2CC[N@H+](CCOC)CC2(C)C)ccc1[N+](=O)[O-] ZINC000593100827 520745890 /nfs/dbraw/zinc/74/58/90/520745890.db2.gz JXQLEXDOEUGSER-UHFFFAOYSA-N 1 0 351.447 2.536 20 5 FFBDRO COc1cc(C[N@@H+]2CC[C@H]3COC[C@H]3C2)c([N+](=O)[O-])cc1OC(F)F ZINC000595830351 520754167 /nfs/dbraw/zinc/75/41/67/520754167.db2.gz KRIVLCZAEMKGJG-CMPLNLGQSA-N 1 0 358.341 2.673 20 5 FFBDRO O=C(C[N@H+](CCC1CC1)CC1CC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000595872292 520781203 /nfs/dbraw/zinc/78/12/03/520781203.db2.gz UQMULEVUSGHZLY-UHFFFAOYSA-N 1 0 361.398 2.774 20 5 FFBDRO [NH3+]C[C@H]1CCc2ccccc2N1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000595903563 520810038 /nfs/dbraw/zinc/81/00/38/520810038.db2.gz YIEINHPZGKAXEL-MRXNPFEDSA-N 1 0 365.393 2.925 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC2CC1(c1ccccc1)C2 ZINC000595910632 520814549 /nfs/dbraw/zinc/81/45/49/520814549.db2.gz WKANZBPEORTUCG-RYZJOYRSSA-N 1 0 354.406 2.956 20 5 FFBDRO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000601540286 520833148 /nfs/dbraw/zinc/83/31/48/520833148.db2.gz GYBKZUZGQYBSKD-HNNXBMFYSA-N 1 0 357.385 2.986 20 5 FFBDRO CCOc1ccc(C(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)cc1[N+](=O)[O-] ZINC000595962402 520839234 /nfs/dbraw/zinc/83/92/34/520839234.db2.gz QVZSMJPSFYXRJD-INIZCTEOSA-N 1 0 361.442 2.845 20 5 FFBDRO CC1([NH+]2CCCC2)CCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000601558325 520841536 /nfs/dbraw/zinc/84/15/36/520841536.db2.gz FCGNINDUHAAGJU-UHFFFAOYSA-N 1 0 360.458 2.797 20 5 FFBDRO COc1cc(C[NH+](C)C)ccc1NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000601622786 520870996 /nfs/dbraw/zinc/87/09/96/520870996.db2.gz VHBKMHHLEVGVLR-UHFFFAOYSA-N 1 0 372.425 2.740 20 5 FFBDRO CO[C@@H](C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000596065718 520890828 /nfs/dbraw/zinc/89/08/28/520890828.db2.gz JTOUNTOMKOEWRV-AEFFLSMTSA-N 1 0 352.431 2.519 20 5 FFBDRO CC[NH+](CC)CCN(CC(C)C)C(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000610920299 520905830 /nfs/dbraw/zinc/90/58/30/520905830.db2.gz QIVWPLVKQLPDHC-UHFFFAOYSA-N 1 0 353.467 2.881 20 5 FFBDRO CCN(Cc1ccc(C[NH+](C)C)cc1)c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596103045 520912398 /nfs/dbraw/zinc/91/23/98/520912398.db2.gz ASXFTMOWUNAFML-UHFFFAOYSA-N 1 0 356.426 2.782 20 5 FFBDRO COCCN1CCN(C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])C(C)(C)C1 ZINC000593340034 520921120 /nfs/dbraw/zinc/92/11/20/520921120.db2.gz SBZSPBHCQDOQET-UHFFFAOYSA-N 1 0 369.849 2.739 20 5 FFBDRO CC1([NH+]2CCCC2)CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000601739039 520927478 /nfs/dbraw/zinc/92/74/78/520927478.db2.gz KPUAXHPSTOOBMN-UHFFFAOYSA-N 1 0 357.414 2.562 20 5 FFBDRO NC(=O)c1cc(NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000596129516 520930419 /nfs/dbraw/zinc/93/04/19/520930419.db2.gz QRWALBJLUAMQPK-INIZCTEOSA-N 1 0 354.410 2.770 20 5 FFBDRO C[NH+](C)[C@H](CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-])c1cccs1 ZINC000593384071 520956026 /nfs/dbraw/zinc/95/60/26/520956026.db2.gz KKIZLKOABKIEHI-CQSZACIVSA-N 1 0 351.403 2.757 20 5 FFBDRO Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)NCCC[N@@H+](C)C(C)C)c1 ZINC000593401927 520966528 /nfs/dbraw/zinc/96/65/28/520966528.db2.gz CUVWVZWLPULJMW-UHFFFAOYSA-N 1 0 373.457 2.608 20 5 FFBDRO Cc1c(Br)cc(C(=O)NCC[N@H+]2CC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000611073031 520971123 /nfs/dbraw/zinc/97/11/23/520971123.db2.gz QPHPRSPAYSVQSS-JTQLQIEISA-N 1 0 370.247 2.737 20 5 FFBDRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000593409383 520972097 /nfs/dbraw/zinc/97/20/97/520972097.db2.gz URAZENQLWPQKQP-KBPBESRZSA-N 1 0 351.422 2.761 20 5 FFBDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000593418500 520982427 /nfs/dbraw/zinc/98/24/27/520982427.db2.gz ICGUZENGXWPFEC-CYBMUJFWSA-N 1 0 351.422 2.903 20 5 FFBDRO CC(C)[N@H+](C)CCCNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599056024 521002927 /nfs/dbraw/zinc/00/29/27/521002927.db2.gz HSFFPAZANCWAKE-UHFFFAOYSA-N 1 0 358.236 2.817 20 5 FFBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599057612 521005204 /nfs/dbraw/zinc/00/52/04/521005204.db2.gz QGNOYEVHWWLEJB-LLVKDONJSA-N 1 0 370.247 2.962 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(N(C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000614533759 521015226 /nfs/dbraw/zinc/01/52/26/521015226.db2.gz YBVUCQORRODMRE-FQEVSTJZSA-N 1 0 371.437 2.677 20 5 FFBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1c(Br)cccc1[N+](=O)[O-] ZINC000599083380 521023481 /nfs/dbraw/zinc/02/34/81/521023481.db2.gz KPQNIPAFZOFGPK-WDEREUQCSA-N 1 0 368.231 2.714 20 5 FFBDRO CC(C)(C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)C(=O)N1CCCC1 ZINC000599087724 521025069 /nfs/dbraw/zinc/02/50/69/521025069.db2.gz FOHRJJVNFHFMQB-LSDHHAIUSA-N 1 0 363.462 2.513 20 5 FFBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CN(Cc3ccncc3)CCO2)cc1[N+](=O)[O-] ZINC000599086956 521025129 /nfs/dbraw/zinc/02/51/29/521025129.db2.gz CXTKXNATZUHIOF-VQIMIIECSA-N 1 0 370.453 2.850 20 5 FFBDRO O=C1Nc2ccccc2[C@@]12CC[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000614585172 521035354 /nfs/dbraw/zinc/03/53/54/521035354.db2.gz RHUSZTSJVXQFRW-FQEVSTJZSA-N 1 0 367.405 2.960 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2ccc(CN3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)o2)c1 ZINC000611268441 521068151 /nfs/dbraw/zinc/06/81/51/521068151.db2.gz NSODBVUTMAMJIO-RTBURBONSA-N 1 0 371.437 2.886 20 5 FFBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000599194025 521080388 /nfs/dbraw/zinc/08/03/88/521080388.db2.gz NTIOBGGRYNXKGK-LLVKDONJSA-N 1 0 370.247 2.817 20 5 FFBDRO Cc1cc(N2CC[C@@H](CN3CCCC3=O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000596524950 521115097 /nfs/dbraw/zinc/11/50/97/521115097.db2.gz IBLRNHTYGGXPDD-CQSZACIVSA-N 1 0 354.410 2.900 20 5 FFBDRO O=[N+]([O-])c1cc(N2CCC([N@@H+]3CC[C@H](O)C3)CC2)ccc1C(F)(F)F ZINC000596540889 521123820 /nfs/dbraw/zinc/12/38/20/521123820.db2.gz VRKPXECZEZCTFL-ZDUSSCGKSA-N 1 0 359.348 2.649 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2Nc2cnn(-c3cc[nH+]cc3)c2)n1 ZINC000618574541 521131602 /nfs/dbraw/zinc/13/16/02/521131602.db2.gz BRIHVAHWKCQJLA-HZPDHXFCSA-N 1 0 353.386 2.968 20 5 FFBDRO CC[C@@H]([NH2+]CC(=O)NC[C@@H]1Cc2ccccc2O1)c1cccc([N+](=O)[O-])c1 ZINC000611403046 521137930 /nfs/dbraw/zinc/13/79/30/521137930.db2.gz HLBBKLWOYAAZFH-ZWKOTPCHSA-N 1 0 369.421 2.755 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@]2(CO)CCc3ccccc32)n1 ZINC000593716558 521170679 /nfs/dbraw/zinc/17/06/79/521170679.db2.gz SCBGTAGILJHEQT-GGPKGHCWSA-N 1 0 370.453 2.741 20 5 FFBDRO O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)C12CCC[NH+](CCC1)C2 ZINC000602150543 521174843 /nfs/dbraw/zinc/17/48/43/521174843.db2.gz CMSUJQIXKVJIMW-UHFFFAOYSA-N 1 0 356.426 2.611 20 5 FFBDRO O=[N+]([O-])c1ccccc1N1CCN(Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000593725184 521176416 /nfs/dbraw/zinc/17/64/16/521176416.db2.gz HIEKVORMPWIQPI-UHFFFAOYSA-N 1 0 352.438 2.563 20 5 FFBDRO O=C(c1cccc(C[NH+]2CCCC2)c1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000611484970 521181292 /nfs/dbraw/zinc/18/12/92/521181292.db2.gz YOYPKIXLLLYSBM-UHFFFAOYSA-N 1 0 366.421 2.784 20 5 FFBDRO C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)C1CC[NH+](C)CC1 ZINC000611514154 521195444 /nfs/dbraw/zinc/19/54/44/521195444.db2.gz IXJKCVXMLWHFHM-SNVBAGLBSA-N 1 0 357.357 2.656 20 5 FFBDRO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CCn2c(C)ncc2[N+](=O)[O-])c1 ZINC000611560284 521218893 /nfs/dbraw/zinc/21/88/93/521218893.db2.gz MSRSJFVBNGMFAH-INIZCTEOSA-N 1 0 360.414 2.954 20 5 FFBDRO CN(CC[NH+]1CCCCC1)C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000593884035 521272824 /nfs/dbraw/zinc/27/28/24/521272824.db2.gz SEOSKAAYXAZSKM-UHFFFAOYSA-N 1 0 357.357 2.754 20 5 FFBDRO CC(C)[C@H]1C[N@H+](Cc2ccccc2)CCN1CCn1ccc([N+](=O)[O-])n1 ZINC000599536763 521282561 /nfs/dbraw/zinc/28/25/61/521282561.db2.gz RGNBAXGTUIFHGF-GOSISDBHSA-N 1 0 357.458 2.634 20 5 FFBDRO C[NH+](C)[C@H](CNc1ncnc2ccc([N+](=O)[O-])cc21)c1ccc(F)cc1 ZINC000611702530 521289099 /nfs/dbraw/zinc/28/90/99/521289099.db2.gz VNILIBURQRFAJB-QGZVFWFLSA-N 1 0 355.373 2.814 20 5 FFBDRO Cc1ccc(NC(=O)N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000599585640 521313536 /nfs/dbraw/zinc/31/35/36/521313536.db2.gz GAGIOLDRPFFODT-MRXNPFEDSA-N 1 0 362.430 2.526 20 5 FFBDRO [NH3+]CCCOCCNC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000599599023 521323263 /nfs/dbraw/zinc/32/32/63/521323263.db2.gz MNMFCCRWHRWLBB-UHFFFAOYSA-N 1 0 374.397 2.874 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000596843286 521326296 /nfs/dbraw/zinc/32/62/96/521326296.db2.gz JDWUKJVGLOCXHY-MRXNPFEDSA-N 1 0 370.409 2.999 20 5 FFBDRO C[C@@H]([NH3+])C1CCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000602427117 521339584 /nfs/dbraw/zinc/33/95/84/521339584.db2.gz BGGUUSDOFQTPPJ-SECBINFHSA-N 1 0 356.220 2.557 20 5 FFBDRO C[C@H]([NH2+][C@@H]1[C@H](C)O[C@H](C)[C@H]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000599626594 521339988 /nfs/dbraw/zinc/33/99/88/521339988.db2.gz SELWJZLVLKWAAY-QSJCVTFJSA-N 1 0 355.822 2.977 20 5 FFBDRO Cc1cnc(OC2CC[NH+](CCOc3ccc([N+](=O)[O-])cc3)CC2)nc1 ZINC000594020890 521353931 /nfs/dbraw/zinc/35/39/31/521353931.db2.gz KXZJEWSDNOMVSJ-UHFFFAOYSA-N 1 0 358.398 2.615 20 5 FFBDRO C[NH+](C)CCn1cc(NCc2cc(Br)c([N+](=O)[O-])s2)cn1 ZINC000602536115 521401177 /nfs/dbraw/zinc/40/11/77/521401177.db2.gz YITIITSUUOGRFB-UHFFFAOYSA-N 1 0 374.264 2.789 20 5 FFBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@@H](CN1CCCCC1)c1ccccc1 ZINC000611938548 521401658 /nfs/dbraw/zinc/40/16/58/521401658.db2.gz NYWNEHWIUYAYRN-IBGZPJMESA-N 1 0 370.453 2.573 20 5 FFBDRO Cc1cccc2nc(C[NH2+]C3CCN(c4ccc([N+](=O)[O-])nc4)CC3)cn21 ZINC000602540502 521401854 /nfs/dbraw/zinc/40/18/54/521401854.db2.gz NUWRZFBWMZAKDX-UHFFFAOYSA-N 1 0 366.425 2.705 20 5 FFBDRO CC(C)(C(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC000602540167 521401973 /nfs/dbraw/zinc/40/19/73/521401973.db2.gz JZZHEHOEHJBWCE-FZMZJTMJSA-N 1 0 373.375 2.858 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3CCc4c3cccc4O)CC2)cn1 ZINC000602543988 521404847 /nfs/dbraw/zinc/40/48/47/521404847.db2.gz NUUMGHURNQUZSF-KRWDZBQOSA-N 1 0 354.410 2.941 20 5 FFBDRO CC(C)C[C@H](CCO)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602559508 521412523 /nfs/dbraw/zinc/41/25/23/521412523.db2.gz DEYMRQINXVKMQE-HNNXBMFYSA-N 1 0 350.463 2.593 20 5 FFBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H]2CCN(C3CC3)[C@@H](c3ccccc3)C2)c1 ZINC000602571454 521417068 /nfs/dbraw/zinc/41/70/68/521417068.db2.gz ZWIWXBKNGSYINL-VQIMIIECSA-N 1 0 355.442 2.749 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CCCCC[C@H]([NH3+])C2)cc1SC ZINC000602578684 521421985 /nfs/dbraw/zinc/42/19/85/521421985.db2.gz PNGGIZQQALLIPB-NSHDSACASA-N 1 0 353.444 2.669 20 5 FFBDRO C[C@@H]1C[C@@H](NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC[N@@H+]1C ZINC000607688855 521428376 /nfs/dbraw/zinc/42/83/76/521428376.db2.gz YRGSADQOVQSAEQ-CVEARBPZSA-N 1 0 363.461 2.754 20 5 FFBDRO C[C@H]1C[C@H]([NH3+])CN1C(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000602599501 521432834 /nfs/dbraw/zinc/43/28/34/521432834.db2.gz QOVXGYAJYGCEDC-FQLMCAECSA-N 1 0 360.458 2.639 20 5 FFBDRO C[C@@H]1OCC[C@@]12C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)C[C@@H](C)O2 ZINC000619175819 521433982 /nfs/dbraw/zinc/43/39/82/521433982.db2.gz QAJGADKAROAKEV-RVKKMQEKSA-N 1 0 350.415 2.632 20 5 FFBDRO COCC[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccco1 ZINC000602610361 521435653 /nfs/dbraw/zinc/43/56/53/521435653.db2.gz ZTAFHTPPZNEOMJ-MRXNPFEDSA-N 1 0 360.414 2.919 20 5 FFBDRO COC(=O)c1ccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)nc1C1CC1 ZINC000602663686 521466727 /nfs/dbraw/zinc/46/67/27/521466727.db2.gz BPHDEXQSZIQDKP-UHFFFAOYSA-N 1 0 355.394 2.986 20 5 FFBDRO O=[N+]([O-])c1cccnc1N1CC[NH+](C[C@@H]2CCN(c3ccccc3)C2)CC1 ZINC000602689928 521481424 /nfs/dbraw/zinc/48/14/24/521481424.db2.gz ZLBUPCIWNVFANI-KRWDZBQOSA-N 1 0 367.453 2.638 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+]1CCC(c2cccnc2)CC1 ZINC000612113080 521488759 /nfs/dbraw/zinc/48/87/59/521488759.db2.gz YRJQOSFVKGPWSC-KRWDZBQOSA-N 1 0 357.410 2.609 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3CCCN4CCCC[C@@H]34)CC2)cn1 ZINC000602708500 521489518 /nfs/dbraw/zinc/48/95/18/521489518.db2.gz HWFLWNSMBLCCSA-ROUUACIJSA-N 1 0 359.474 2.565 20 5 FFBDRO C[NH+](C)CCNC(=O)c1ccc(NCCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000602719713 521495389 /nfs/dbraw/zinc/49/53/89/521495389.db2.gz FMAWTECYINUPGG-UHFFFAOYSA-N 1 0 356.426 2.541 20 5 FFBDRO COC(=O)COc1ccc(C[NH+]2CCC(CCF)CC2)cc1[N+](=O)[O-] ZINC000602735784 521504157 /nfs/dbraw/zinc/50/41/57/521504157.db2.gz YAXCKRQPPCGVBX-UHFFFAOYSA-N 1 0 354.378 2.718 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CCN1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000602781978 521528981 /nfs/dbraw/zinc/52/89/81/521528981.db2.gz IQJMQORRNDINFV-INIZCTEOSA-N 1 0 357.458 2.696 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CC[C@@H](Cn4ccnn4)C3)o2)c1 ZINC000597173759 521556827 /nfs/dbraw/zinc/55/68/27/521556827.db2.gz IPGBFOTUEVUHNF-CQSZACIVSA-N 1 0 353.382 2.968 20 5 FFBDRO C[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CS1(=O)=O ZINC000597209273 521576363 /nfs/dbraw/zinc/57/63/63/521576363.db2.gz QARDEIRIBKLOSA-OHFALNGGSA-N 1 0 366.483 2.861 20 5 FFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCN(Cc3ccccc3)C[C@H]2CO)cc1 ZINC000616013955 521603263 /nfs/dbraw/zinc/60/32/63/521603263.db2.gz JQJYVRRNTPINSZ-FPOVZHCZSA-N 1 0 369.465 2.610 20 5 FFBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000619789143 521873936 /nfs/dbraw/zinc/87/39/36/521873936.db2.gz OGRLEJOOOGOAEJ-UHFFFAOYSA-N 1 0 366.381 2.882 20 5 FFBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccc(-n2cncn2)c(F)c1 ZINC000619846248 521901891 /nfs/dbraw/zinc/90/18/91/521901891.db2.gz ZBYRZYFVQIACBV-UHFFFAOYSA-N 1 0 355.373 2.989 20 5 FFBDRO COc1ccc(C[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)cc1[N+](=O)[O-] ZINC000821802966 599393324 /nfs/dbraw/zinc/39/33/24/599393324.db2.gz ADWUVFSPSPDOIM-NSHDSACASA-N 1 0 354.370 2.634 20 5 FFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)c1 ZINC000826499371 608505736 /nfs/dbraw/zinc/50/57/36/608505736.db2.gz GLCYULWYKKMNQX-QGZVFWFLSA-N 1 0 350.382 2.942 20 5 FFBDRO Nc1nc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)ccc1[N+](=O)[O-] ZINC001164629209 719084584 /nfs/dbraw/zinc/08/45/84/719084584.db2.gz WLEJDJJQVINJGR-WBVHZDCISA-N 1 0 353.426 2.673 20 5 FFBDRO Nc1nc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)ccc1[N+](=O)[O-] ZINC001164629206 719084794 /nfs/dbraw/zinc/08/47/94/719084794.db2.gz WLEJDJJQVINJGR-NVXWUHKLSA-N 1 0 353.426 2.673 20 5 FFBDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncc([N+](=O)[O-])c(C)c1C)C2 ZINC001164811786 720126429 /nfs/dbraw/zinc/12/64/29/720126429.db2.gz NJYZLIAPHYSQRG-PXNSSMCTSA-N 1 0 374.485 2.791 20 5 FFBDRO Cc1nc(Cl)nc(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)c1[N+](=O)[O-] ZINC001164725141 720332916 /nfs/dbraw/zinc/33/29/16/720332916.db2.gz LVLHYICCHOSDSM-ZIAGYGMSSA-N 1 0 374.832 2.595 20 5 FFBDRO COc1nc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)ccc1[N+](=O)[O-] ZINC001164858629 720937719 /nfs/dbraw/zinc/93/77/19/720937719.db2.gz JPQGCMIFOJNGNL-CYBMUJFWSA-N 1 0 374.445 2.616 20 5 FFBDRO O=[N+]([O-])c1cnc(N2CC[NH+](CCc3ccccn3)CC2)c2ccccc21 ZINC001165054179 722012066 /nfs/dbraw/zinc/01/20/66/722012066.db2.gz PPPBROFRPBBENH-UHFFFAOYSA-N 1 0 363.421 2.903 20 5 FFBDRO CC(C)[C@H](C[NH+](C)C)NC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000159088838 728900592 /nfs/dbraw/zinc/90/05/92/728900592.db2.gz OGDBHEXUKSUNAL-NSHDSACASA-N 1 0 358.236 2.673 20 5 FFBDRO CC(C)(C)OC(=O)[C@@H]1CCC[C@@H]1[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000898163997 735320839 /nfs/dbraw/zinc/32/08/39/735320839.db2.gz CTOIDARJIDQBCC-VHMBPLKRSA-N 1 0 350.419 2.595 20 5 FFBDRO CC[C@H](C(=O)O[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+](CC)CC ZINC000745093534 735398841 /nfs/dbraw/zinc/39/88/41/735398841.db2.gz HKTRYMWKPUUZJD-IUODEOHRSA-N 1 0 351.403 2.585 20 5 FFBDRO CCOC(=O)c1ccnc(NC[C@H]2CC[N@H+](CC(C)C)C2)c1[N+](=O)[O-] ZINC000130583371 728719798 /nfs/dbraw/zinc/71/97/98/728719798.db2.gz OTIJUJANFIETTB-CYBMUJFWSA-N 1 0 350.419 2.556 20 5 FFBDRO C[NH2+]CCC1CCN(c2ncc([N+](=O)[O-])c(C)c2Br)CC1 ZINC000165825572 728974518 /nfs/dbraw/zinc/97/45/18/728974518.db2.gz NUNKMALWHSNOHD-UHFFFAOYSA-N 1 0 357.252 2.887 20 5 FFBDRO CC[NH2+]CC1CCN(c2ncc([N+](=O)[O-])c(C)c2Br)CC1 ZINC000165835781 728974524 /nfs/dbraw/zinc/97/45/24/728974524.db2.gz XGEYSWUHBZHSNM-UHFFFAOYSA-N 1 0 357.252 2.887 20 5 FFBDRO CCCN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC000165886398 728974899 /nfs/dbraw/zinc/97/48/99/728974899.db2.gz GEJNXVDUSTWJOL-GFCCVEGCSA-N 1 0 356.220 2.571 20 5 FFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000177345807 729134312 /nfs/dbraw/zinc/13/43/12/729134312.db2.gz HOJSSMOLVGDGOX-KGLIPLIRSA-N 1 0 366.849 2.745 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000178856923 729171789 /nfs/dbraw/zinc/17/17/89/729171789.db2.gz FZRFFJOGRKUXOG-ZDUSSCGKSA-N 1 0 351.403 2.702 20 5 FFBDRO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2Cc2cc(F)ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000194570888 729513755 /nfs/dbraw/zinc/51/37/55/729513755.db2.gz TWZNDYJOLZGYOG-VBQJREDUSA-N 1 0 351.422 2.808 20 5 FFBDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000236821010 729555768 /nfs/dbraw/zinc/55/57/68/729555768.db2.gz QZSMSZJHCHIGJT-CYBMUJFWSA-N 1 0 357.838 2.849 20 5 FFBDRO CC[N@H+](C)Cc1cc(O[C@H]2CCN(c3ncc([N+](=O)[O-])s3)C2)ccn1 ZINC000856533194 730345301 /nfs/dbraw/zinc/34/53/01/730345301.db2.gz APZAORRAZKCUSO-AWEZNQCLSA-N 1 0 363.443 2.556 20 5 FFBDRO CO[C@H]1C[N@H+](C)[C@](C)(COC(=O)c2cc(SC)ccc2[N+](=O)[O-])C1 ZINC000861343845 730601444 /nfs/dbraw/zinc/60/14/44/730601444.db2.gz LODGZZVCIABZGK-BZNIZROVSA-N 1 0 354.428 2.583 20 5 FFBDRO CN(CC[NH+]1CC2(C1)CCOCC2)c1nc2ccc([N+](=O)[O-])cc2s1 ZINC000866255827 731044133 /nfs/dbraw/zinc/04/41/33/731044133.db2.gz FZPJHVSVDWBLFH-UHFFFAOYSA-N 1 0 362.455 2.753 20 5 FFBDRO C[C@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000868014787 731251644 /nfs/dbraw/zinc/25/16/44/731251644.db2.gz WHUDJSNANRKDQP-JTQLQIEISA-N 1 0 357.863 2.845 20 5 FFBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC000872071872 731726685 /nfs/dbraw/zinc/72/66/85/731726685.db2.gz YZYPXAFFRXTVCF-RYUDHWBXSA-N 1 0 358.485 2.792 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@H](CO)c2ccc(Cl)cc2)cc1 ZINC000872246940 731745585 /nfs/dbraw/zinc/74/55/85/731745585.db2.gz HZLULWPYYIAWAM-PBHICJAKSA-N 1 0 350.802 2.647 20 5 FFBDRO CC1([NH+]2CCCCC2)CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000872531107 731786936 /nfs/dbraw/zinc/78/69/36/731786936.db2.gz ILIIDIARXQTQGO-UHFFFAOYSA-N 1 0 373.500 2.685 20 5 FFBDRO Cc1c(C[NH2+]C2CCN(S(=O)(=O)C(C)(C)C)CC2)cccc1[N+](=O)[O-] ZINC000873114126 731876040 /nfs/dbraw/zinc/87/60/40/731876040.db2.gz VVJBZCORANELLE-UHFFFAOYSA-N 1 0 369.487 2.586 20 5 FFBDRO COc1ccc(OC)c([C@@H](O)[C@H](C)[NH2+]Cc2csc([N+](=O)[O-])c2)c1 ZINC000873196610 731889454 /nfs/dbraw/zinc/88/94/54/731889454.db2.gz SUWBFYPSMOEIRM-QFYYESIMSA-N 1 0 352.412 2.885 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)cc1SC ZINC000874835766 732105401 /nfs/dbraw/zinc/10/54/01/732105401.db2.gz ADXAQSOGIOANTC-CHWSQXEVSA-N 1 0 365.455 2.634 20 5 FFBDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000874838225 732106258 /nfs/dbraw/zinc/10/62/58/732106258.db2.gz OJLIFQPRFAEFHP-UONOGXRCSA-N 1 0 368.231 2.666 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000874844037 732107021 /nfs/dbraw/zinc/10/70/21/732107021.db2.gz QEYQNNZFQBFQID-UBHSHLNASA-N 1 0 367.833 2.711 20 5 FFBDRO CC[N@H+](CCNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C)C(C)C ZINC000780855990 738582249 /nfs/dbraw/zinc/58/22/49/738582249.db2.gz LSYXQDKJYDUVRK-UHFFFAOYSA-N 1 0 363.867 2.565 20 5 FFBDRO CN(CCCCCC[NH3+])C(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000877437112 732362010 /nfs/dbraw/zinc/36/20/10/732362010.db2.gz WBFADTVTICJOKA-UHFFFAOYSA-N 1 0 358.236 2.948 20 5 FFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@@H](CO)c3ccc(Cl)cc3)C2)c1 ZINC000877533408 732382734 /nfs/dbraw/zinc/38/27/34/732382734.db2.gz PPKSXOAWVKGMIG-GRTSSRMGSA-N 1 0 350.806 2.514 20 5 FFBDRO C[C@H](COc1c(F)cccc1F)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877626966 732400433 /nfs/dbraw/zinc/40/04/33/732400433.db2.gz DUYVMHMVIKUTDZ-VOMCLLRMSA-N 1 0 352.341 2.830 20 5 FFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CC(CNC(=O)C(F)(F)F)C1 ZINC000877777386 732428894 /nfs/dbraw/zinc/42/88/94/732428894.db2.gz YPRNUKBTFWZSNG-VZUCSPMQSA-N 1 0 357.332 2.608 20 5 FFBDRO C[C@@H](CCc1ccsc1)[NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000877830839 732443874 /nfs/dbraw/zinc/44/38/74/732443874.db2.gz LYRXKBVXUGECGJ-JCURWCKSSA-N 1 0 350.440 2.662 20 5 FFBDRO C[NH+](C)[C@@H]1CCCN(Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC000878041631 732473040 /nfs/dbraw/zinc/47/30/40/732473040.db2.gz WGRXCQMKZJUIRE-GFCCVEGCSA-N 1 0 365.821 2.824 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(C[N@@H+]2CC[C@]3(CCOC3)C2)o1 ZINC000878185143 732495257 /nfs/dbraw/zinc/49/52/57/732495257.db2.gz FGSKWXNNIATWFI-INIZCTEOSA-N 1 0 364.789 2.911 20 5 FFBDRO CC[C@@H]1C[N@H+](C)CCN1Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000878655804 732573105 /nfs/dbraw/zinc/57/31/05/732573105.db2.gz ADCRMPFSZQJRJJ-GFCCVEGCSA-N 1 0 365.821 2.824 20 5 FFBDRO NC(=O)Cc1cccc2c1CCN(Cc1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000879230136 732668925 /nfs/dbraw/zinc/66/89/25/732668925.db2.gz JCTXJKGLYAXYHG-UHFFFAOYSA-N 1 0 359.813 2.834 20 5 FFBDRO COc1cc(C[N@@H+]2CCCCCCNC(=O)CC2)c([N+](=O)[O-])cc1F ZINC000879256023 732673405 /nfs/dbraw/zinc/67/34/05/732673405.db2.gz UXELMYIUQMMIMP-UHFFFAOYSA-N 1 0 353.394 2.625 20 5 FFBDRO CC[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000880467778 732911658 /nfs/dbraw/zinc/91/16/58/732911658.db2.gz JPWFULMDBJUEDV-WCQYABFASA-N 1 0 355.822 2.982 20 5 FFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H]1CCC2(CCOCC2)O1 ZINC000927013251 738681571 /nfs/dbraw/zinc/68/15/71/738681571.db2.gz DAADNBCSOIQDDF-XJKSGUPXSA-N 1 0 352.406 2.983 20 5 FFBDRO COC[C@H]([NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000883295404 733361711 /nfs/dbraw/zinc/36/17/11/733361711.db2.gz HLAAGDFHPUJXTA-JSGCOSHPSA-N 1 0 373.247 2.889 20 5 FFBDRO CCOc1ccc([C@H](C)[NH2+]CC[C@@H]2CCCS2(=O)=O)cc1[N+](=O)[O-] ZINC000883306998 733365457 /nfs/dbraw/zinc/36/54/57/733365457.db2.gz JYPNGSGVNYGXML-JSGCOSHPSA-N 1 0 356.444 2.611 20 5 FFBDRO O=C(CC[NH2+][C@@H](CO)C1CCCCC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000782532199 738731607 /nfs/dbraw/zinc/73/16/07/738731607.db2.gz XYHYRDQNHGKXQY-INIZCTEOSA-N 1 0 353.394 2.593 20 5 FFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](CO)C[C@@H]1CCCO1 ZINC000886668264 733814518 /nfs/dbraw/zinc/81/45/18/733814518.db2.gz PVCDHYMOZOUKQM-ILXRZTDVSA-N 1 0 354.472 2.985 20 5 FFBDRO C[NH+]1CCC2(CCN2C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC1 ZINC000889221651 734153839 /nfs/dbraw/zinc/15/38/39/734153839.db2.gz NFKWSPGBLOSBPG-UHFFFAOYSA-N 1 0 357.332 2.924 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783577306 738816238 /nfs/dbraw/zinc/81/62/38/738816238.db2.gz ZDXPXBMZUIJXRO-XYPHTWIQSA-N 1 0 353.850 2.932 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783577304 738816412 /nfs/dbraw/zinc/81/64/12/738816412.db2.gz ZDXPXBMZUIJXRO-XOKHGSTOSA-N 1 0 353.850 2.932 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)NC[C@H](C)[NH+]2CCCCC2)cc1SC ZINC000728517670 734530146 /nfs/dbraw/zinc/53/01/46/734530146.db2.gz UIMFEQGLECQBPO-LBPRGKRZSA-N 1 0 367.471 2.930 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)ccc1CNC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000893011524 734637543 /nfs/dbraw/zinc/63/75/43/734637543.db2.gz KRRHZGMXSREWGY-CYBMUJFWSA-N 1 0 353.850 2.839 20 5 FFBDRO COc1c(O)ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)c1[N+](=O)[O-] ZINC000894699873 734902713 /nfs/dbraw/zinc/90/27/13/734902713.db2.gz LQEGBWJLNCSPAL-KFWWJZLASA-N 1 0 350.415 2.825 20 5 FFBDRO O=[N+]([O-])c1cc(N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)ccc1C(F)(F)F ZINC000897221081 735207910 /nfs/dbraw/zinc/20/79/10/735207910.db2.gz GZOLSJIETOVTFN-KBPBESRZSA-N 1 0 359.348 2.649 20 5 FFBDRO CCC[C@H]([NH3+])c1cn(Cc2cc([N+](=O)[O-])ccc2Br)nn1 ZINC000900595648 735666380 /nfs/dbraw/zinc/66/63/80/735666380.db2.gz JKVVXLLYBHHBHQ-LBPRGKRZSA-N 1 0 354.208 2.797 20 5 FFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)c1 ZINC000749671394 735737531 /nfs/dbraw/zinc/73/75/31/735737531.db2.gz NZIROSXGXWPDIP-HNNXBMFYSA-N 1 0 364.785 2.843 20 5 FFBDRO C[C@@H]([NH2+]Cc1cccc(N(C)S(C)(=O)=O)c1)c1ccc([N+](=O)[O-])cc1 ZINC000901699537 735822334 /nfs/dbraw/zinc/82/23/34/735822334.db2.gz CRHNMJGELAEGQT-CYBMUJFWSA-N 1 0 363.439 2.841 20 5 FFBDRO Cc1cc(Cl)c(S(=O)(=O)Nc2cc[nH+]c(N(C)C)c2)cc1[N+](=O)[O-] ZINC000752198095 735965265 /nfs/dbraw/zinc/96/52/65/735965265.db2.gz YSEPCAOJZHSVGA-UHFFFAOYSA-N 1 0 370.818 2.818 20 5 FFBDRO COCCC[NH+]1CCC(N[C@H](C)c2cc(OC)cc([N+](=O)[O-])c2)CC1 ZINC000903086861 736028456 /nfs/dbraw/zinc/02/84/56/736028456.db2.gz BBOYPAYDFDFNRK-CQSZACIVSA-N 1 0 351.447 2.755 20 5 FFBDRO COc1cc([C@H](C)[NH2+][C@H]2CCC[C@@H](S(C)(=O)=O)C2)cc([N+](=O)[O-])c1 ZINC000903120899 736034750 /nfs/dbraw/zinc/03/47/50/736034750.db2.gz PBMBPCFSWNSSJX-DETPVDSQSA-N 1 0 356.444 2.610 20 5 FFBDRO COc1cc([C@@H](C)[NH2+]CC2(S(C)(=O)=O)CCCC2)cc([N+](=O)[O-])c1 ZINC000903169456 736047144 /nfs/dbraw/zinc/04/71/44/736047144.db2.gz ASXKREOPYDLMOB-GFCCVEGCSA-N 1 0 356.444 2.611 20 5 FFBDRO CC1(C)C[C@H](C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C(C)(C)O1 ZINC000905619122 736369875 /nfs/dbraw/zinc/36/98/75/736369875.db2.gz KOOULZYDMWFBOL-ZIAGYGMSSA-N 1 0 352.431 2.518 20 5 FFBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000756937482 736374726 /nfs/dbraw/zinc/37/47/26/736374726.db2.gz WVQYSEQPAKFRBN-CQSZACIVSA-N 1 0 354.838 2.922 20 5 FFBDRO C[C@H]1C[C@@H](NC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C[N@@H+]1C1CC1 ZINC000756952434 736376343 /nfs/dbraw/zinc/37/63/43/736376343.db2.gz SUAXAALEMUZGQS-CMPLNLGQSA-N 1 0 352.822 2.673 20 5 FFBDRO CCC[NH+]1CCC(N(C)C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)CC1 ZINC000906371012 736491719 /nfs/dbraw/zinc/49/17/19/736491719.db2.gz GKRUEVPSCKRMNO-UHFFFAOYSA-N 1 0 354.838 2.777 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000761049276 736690793 /nfs/dbraw/zinc/69/07/93/736690793.db2.gz PCTWUFMMWNPGJI-SNVBAGLBSA-N 1 0 361.320 2.816 20 5 FFBDRO COc1cc(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)ccc1OCCO ZINC000761522848 736742826 /nfs/dbraw/zinc/74/28/26/736742826.db2.gz MBLHBCUEZLVTNP-UHFFFAOYSA-N 1 0 366.801 2.918 20 5 FFBDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)c3cc(Cl)c(F)c([N+](=O)[O-])c3)C2)C1 ZINC000908422515 736773902 /nfs/dbraw/zinc/77/39/02/736773902.db2.gz OOEDUVBFFHUTKE-INIZCTEOSA-N 1 0 355.797 2.945 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])c(N2CCC(C[NH+](C)C)CC2)cc1Cl ZINC000765470413 737121609 /nfs/dbraw/zinc/12/16/09/737121609.db2.gz RXNUYBPDUXFAPX-UHFFFAOYSA-N 1 0 355.822 2.813 20 5 FFBDRO CC(C)OC(=O)C[C@H]1CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000766910786 737274613 /nfs/dbraw/zinc/27/46/13/737274613.db2.gz RQFTZLKLWFMXRN-PBHICJAKSA-N 1 0 350.415 2.682 20 5 FFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1COC(=O)CN(C)[C@@H]1CCSC1 ZINC000767113309 737293015 /nfs/dbraw/zinc/29/30/15/737293015.db2.gz VAUSELCQXQVKCP-OAHLLOKOSA-N 1 0 368.455 2.863 20 5 FFBDRO C[C@@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000912806111 737342598 /nfs/dbraw/zinc/34/25/98/737342598.db2.gz CWHJWZSGRRGTJP-XHDPSFHLSA-N 1 0 352.410 2.509 20 5 FFBDRO O=[N+]([O-])c1cc(CN2CCC[N@H+](C[C@@H]3CCCO3)CC2)ccc1Cl ZINC000768555903 737432573 /nfs/dbraw/zinc/43/25/73/737432573.db2.gz UAFIVAPHJNFRNO-HNNXBMFYSA-N 1 0 353.850 2.935 20 5 FFBDRO CC[NH+](CC)[C@H](CNS(=O)(=O)c1csc([N+](=O)[O-])c1)CC(C)C ZINC000768849765 737466535 /nfs/dbraw/zinc/46/65/35/737466535.db2.gz PKPYTOXFIKABFI-LBPRGKRZSA-N 1 0 363.505 2.691 20 5 FFBDRO COc1ccc(CSCC(=O)OCC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000914708966 737590671 /nfs/dbraw/zinc/59/06/71/737590671.db2.gz KONIPGRIWGDTDK-UHFFFAOYSA-N 1 0 368.455 2.866 20 5 FFBDRO Cc1cc(S(=O)(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)cc([N+](=O)[O-])c1F ZINC000771730120 737750157 /nfs/dbraw/zinc/75/01/57/737750157.db2.gz BEBIBRNAXXHZTD-QWHCGFSZSA-N 1 0 373.450 2.584 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@@H]2COC3(CCCC3)O2)n1 ZINC000774270371 737975856 /nfs/dbraw/zinc/97/58/56/737975856.db2.gz DTXSSPUSZFCNIA-QLFBSQMISA-N 1 0 350.419 2.550 20 5 FFBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CC[NH+](CCCCO)CC2)c1 ZINC000815071113 741895306 /nfs/dbraw/zinc/89/53/06/741895306.db2.gz OLBDHIQRMDMYGN-UHFFFAOYSA-N 1 0 361.364 2.504 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+][C@H]2CCS[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000922835813 738207473 /nfs/dbraw/zinc/20/74/73/738207473.db2.gz FSXYGAQPRHRSTP-AAEUAGOBSA-N 1 0 354.428 2.520 20 5 FFBDRO O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCC([NH2+]C2CCOCC2)CC1 ZINC000922852603 738209740 /nfs/dbraw/zinc/20/97/40/738209740.db2.gz MFAAHWBXBFMGMY-UHFFFAOYSA-N 1 0 367.833 2.621 20 5 FFBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000930773961 739160703 /nfs/dbraw/zinc/16/07/03/739160703.db2.gz RORHETRGPICELP-ZDUSSCGKSA-N 1 0 350.419 2.799 20 5 FFBDRO C[C@](CO)([NH2+]C[C@@H]1CCC[C@H](C(F)(F)F)O1)c1cccc([N+](=O)[O-])c1 ZINC000931469734 739270487 /nfs/dbraw/zinc/27/04/87/739270487.db2.gz FOORVJNYBOMPLR-RRFJBIMHSA-N 1 0 362.348 2.892 20 5 FFBDRO C[C@@]1([C@H]2CCC[N@H+](Cc3cc([N+](=O)[O-])ccc3Cl)C2)COC(=O)N1 ZINC000932027453 739376853 /nfs/dbraw/zinc/37/68/53/739376853.db2.gz YYNMYTAULGCCFM-LRDDRELGSA-N 1 0 353.806 2.959 20 5 FFBDRO CCC(CC)(C[NH2+]CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C(=O)OC ZINC000790317625 739436737 /nfs/dbraw/zinc/43/67/37/739436737.db2.gz GSKFGKYCGSKBLY-UHFFFAOYSA-N 1 0 371.821 2.756 20 5 FFBDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000790556413 739469325 /nfs/dbraw/zinc/46/93/25/739469325.db2.gz GDBKJTQHYZVAOG-RYUDHWBXSA-N 1 0 357.813 2.919 20 5 FFBDRO COc1ccc(NC(=O)CN2CCCSC[C@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000933915579 739704696 /nfs/dbraw/zinc/70/46/96/739704696.db2.gz YECNSCBBXXVSAI-INIZCTEOSA-N 1 0 365.455 2.759 20 5 FFBDRO Cn1cc([C@H]2CSCCC[N@@H+]2CCOc2ccccc2[N+](=O)[O-])cn1 ZINC000933983575 739715936 /nfs/dbraw/zinc/71/59/36/739715936.db2.gz WKIAVOZSVDCZRD-MRXNPFEDSA-N 1 0 362.455 2.887 20 5 FFBDRO COC(=O)C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)C(C)(C)C ZINC000934031444 739723128 /nfs/dbraw/zinc/72/31/28/739723128.db2.gz WJPYMQPBJVEANY-CQSZACIVSA-N 1 0 352.387 2.529 20 5 FFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC000934319837 739764704 /nfs/dbraw/zinc/76/47/04/739764704.db2.gz OJVMXOSPRJZNPE-ZJUUUORDSA-N 1 0 370.812 2.668 20 5 FFBDRO COc1cc(C(=O)OCCC[NH+]2CCCCC2)c([N+](=O)[O-])cc1OC ZINC000800077447 740482448 /nfs/dbraw/zinc/48/24/48/740482448.db2.gz QBHCWLQAHLLRKO-UHFFFAOYSA-N 1 0 352.387 2.645 20 5 FFBDRO O=C(O[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000810844738 741455193 /nfs/dbraw/zinc/45/51/93/741455193.db2.gz QOVDCCJGOABDMI-RYUDHWBXSA-N 1 0 356.325 2.980 20 5 FFBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]C[C@@H](O)c1ccc(Cl)cc1)OCCO2 ZINC000813794426 741764150 /nfs/dbraw/zinc/76/41/50/741764150.db2.gz QUWQFCAJHKTXEQ-OAHLLOKOSA-N 1 0 364.785 2.843 20 5 FFBDRO C[C@H](C[N+](=O)[O-])OC(=O)c1ccccc1OCC[N@@H+]1CCCC[C@H]1C ZINC000814045109 741787753 /nfs/dbraw/zinc/78/77/53/741787753.db2.gz MTIWIMDSXLCWFA-HUUCEWRRSA-N 1 0 350.415 2.762 20 5 FFBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]C[C@H](O)c1ccc(Cl)cc1)OCCO2 ZINC000814299189 741809968 /nfs/dbraw/zinc/80/99/68/741809968.db2.gz QUWQFCAJHKTXEQ-HNNXBMFYSA-N 1 0 364.785 2.843 20 5 FFBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])[C@@H]1n1cccn1 ZINC000815166290 741908322 /nfs/dbraw/zinc/90/83/22/741908322.db2.gz AAHJPXRCJRSSRL-IMJJTQAJSA-N 1 0 350.806 2.953 20 5 FFBDRO CC[C@@H]1C[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@@H](CC)O1 ZINC000817280323 742116621 /nfs/dbraw/zinc/11/66/21/742116621.db2.gz CQWUJKOHGYTUTN-ZIAGYGMSSA-N 1 0 353.394 2.952 20 5 FFBDRO C[C@@H]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C[C@@H]1C[NH3+] ZINC000818008128 742229367 /nfs/dbraw/zinc/22/93/67/742229367.db2.gz DNGJVCCSUZPPAU-BDAKNGLRSA-N 1 0 374.210 2.553 20 5 FFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCc2nc(C(F)(F)F)cs2)c1 ZINC000819124467 742340438 /nfs/dbraw/zinc/34/04/38/742340438.db2.gz WHARKNZSLRKXMG-NSHDSACASA-N 1 0 361.345 2.936 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@@H]2COC3(CCCCCC3)O2)cc1 ZINC000819211762 742354322 /nfs/dbraw/zinc/35/43/22/742354322.db2.gz FKWBCGSMBIPTBN-IAGOWNOFSA-N 1 0 350.415 2.684 20 5 FFBDRO C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819341596 742378530 /nfs/dbraw/zinc/37/85/30/742378530.db2.gz JXPIPYOYCBYNQV-ZOWXZIJZSA-N 1 0 353.419 2.520 20 5 FFBDRO C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819342880 742378872 /nfs/dbraw/zinc/37/88/72/742378872.db2.gz XIKUJJWCZOTVOY-YWPYICTPSA-N 1 0 353.419 2.520 20 5 FFBDRO CC[NH+]1CCC(NC(=O)c2csc([N+](=O)[O-])c2)(C(F)(F)F)CC1 ZINC000821653247 742649263 /nfs/dbraw/zinc/64/92/63/742649263.db2.gz ULBVNRCQNNJHHU-UHFFFAOYSA-N 1 0 351.350 2.803 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(F)c(C(=O)NC2CC[NH+](CC3CC3)CC2)c1F ZINC000822708285 742772767 /nfs/dbraw/zinc/77/27/67/742772767.db2.gz NQSYLKHBWJKXLO-UHFFFAOYSA-N 1 0 353.369 2.786 20 5 FFBDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)CCc3c(Cl)cccc3[N+](=O)[O-])[C@@H]2C1 ZINC000823276836 742872073 /nfs/dbraw/zinc/87/20/73/742872073.db2.gz YCGXIOSVKSPZFG-BLLLJJGKSA-N 1 0 351.834 2.733 20 5 FFBDRO CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[NH+](CCc2ccc(Cl)cc2)CC1 ZINC001045437186 743274050 /nfs/dbraw/zinc/27/40/50/743274050.db2.gz HSYVVGIHNWCWLN-HZPDHXFCSA-N 1 0 365.861 2.518 20 5 FFBDRO Cc1cc(C[NH2+]C[C@H]2CC[C@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cs1 ZINC001048608569 743414359 /nfs/dbraw/zinc/41/43/59/743414359.db2.gz YIIOVPZLNRPNNX-MUIFIZLQSA-N 1 0 365.499 2.734 20 5 FFBDRO O=C(N[C@H]1CC[C@H](C[NH2+]Cc2ccc(Cl)cc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001050325606 743511263 /nfs/dbraw/zinc/51/12/63/743511263.db2.gz JPDYRBUOTVBPPH-MWQQHZPXSA-N 1 0 365.861 2.770 20 5 FFBDRO C[C@@H]1C[N@@H+](CCCCNC(=O)c2cc([N+](=O)[O-])ccc2Cl)C[C@H](C)O1 ZINC000829801477 745262064 /nfs/dbraw/zinc/26/20/64/745262064.db2.gz QGOMKRHTMJNHLW-BETUJISGSA-N 1 0 369.849 2.867 20 5 FFBDRO C[C@@H]1CN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC[N@@H+](C2CC2)C1 ZINC000830082582 745303142 /nfs/dbraw/zinc/30/31/42/745303142.db2.gz JUYFXLRBHVPPAA-GFCCVEGCSA-N 1 0 366.849 2.603 20 5 FFBDRO C[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@H](CO)c1ccc(Cl)cc1 ZINC000830896420 745447623 /nfs/dbraw/zinc/44/76/23/745447623.db2.gz DVMOFXQZDNWAPO-IAGOWNOFSA-N 1 0 350.802 2.947 20 5 FFBDRO [NH3+]CCCCCCNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000831156421 745492214 /nfs/dbraw/zinc/49/22/14/745492214.db2.gz XJWLVLKIBQOMHJ-UHFFFAOYSA-N 1 0 362.352 2.932 20 5 FFBDRO CO[C@]1(C)C[C@@H]([NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1(C)C ZINC000831347647 745518056 /nfs/dbraw/zinc/51/80/56/745518056.db2.gz BZIGMLACCFNNBD-RHSMWYFYSA-N 1 0 353.394 2.856 20 5 FFBDRO C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@H](CO)CC(C)(C)C ZINC000832093814 745635378 /nfs/dbraw/zinc/63/53/78/745635378.db2.gz JKFGLKUKSQSASV-ZDUSSCGKSA-N 1 0 355.410 2.791 20 5 FFBDRO CC(C)[N@@H+]1CC[C@H](N(C)CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000832779074 745754207 /nfs/dbraw/zinc/75/42/07/745754207.db2.gz TZWOPANGEOQLGY-ZDUSSCGKSA-N 1 0 354.838 2.601 20 5 FFBDRO [NH3+]CC[C@@H]1CCCN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000841160751 747283923 /nfs/dbraw/zinc/28/39/23/747283923.db2.gz GBHGXEFURSBKSR-JTQLQIEISA-N 1 0 371.235 2.950 20 5 FFBDRO O=C(NC[C@H]1CCCC[NH2+]1)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841162305 747285027 /nfs/dbraw/zinc/28/50/27/747285027.db2.gz SYKGSVHWDKGHSA-SNVBAGLBSA-N 1 0 357.208 2.621 20 5 FFBDRO O=C(NCCC[NH2+]Cc1cccnc1)Nc1cccc([N+](=O)[O-])c1Cl ZINC000841233476 747302769 /nfs/dbraw/zinc/30/27/69/747302769.db2.gz VIGMMPOOXFSGOE-UHFFFAOYSA-N 1 0 363.805 2.945 20 5 FFBDRO C[NH2+]C[C@@H]1CCCN([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000843347350 747814370 /nfs/dbraw/zinc/81/43/70/747814370.db2.gz UVLOFQQSZPNXEH-RYUDHWBXSA-N 1 0 354.838 2.507 20 5 FFBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000843480249 747842845 /nfs/dbraw/zinc/84/28/45/747842845.db2.gz FVBQWDJVZCINMG-INIZCTEOSA-N 1 0 355.797 2.532 20 5 FFBDRO C[C@@H](C[NH+]1CCCC1)OC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000845663491 748300108 /nfs/dbraw/zinc/30/01/08/748300108.db2.gz CSAVUFKRIKSZGQ-JTQLQIEISA-N 1 0 357.204 2.998 20 5 FFBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H](C)C[NH+]1CCCC1 ZINC000845662240 748300317 /nfs/dbraw/zinc/30/03/17/748300317.db2.gz DCUQKVGSICNSJK-ZDUSSCGKSA-N 1 0 368.455 2.974 20 5 FFBDRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000846989822 748592770 /nfs/dbraw/zinc/59/27/70/748592770.db2.gz VYTWIKHTDCSHPF-GFCCVEGCSA-N 1 0 357.813 2.873 20 5 FFBDRO CCC[NH+]1CCC(NC(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)CC1 ZINC000848580379 748964702 /nfs/dbraw/zinc/96/47/02/748964702.db2.gz PALKMUYLJGRURP-UHFFFAOYSA-N 1 0 357.357 2.557 20 5 FFBDRO COC(=O)N1CCC(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000850469088 749369609 /nfs/dbraw/zinc/36/96/09/749369609.db2.gz KUEOQHPPHGDPKM-LBPRGKRZSA-N 1 0 351.403 2.732 20 5 FFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]C[C@]23OCCC[C@H]2C3(F)F)n1 ZINC000850532645 749383060 /nfs/dbraw/zinc/38/30/60/749383060.db2.gz MXFJQAFVRZBYGY-XPCVCDNBSA-N 1 0 356.373 2.679 20 5 FFBDRO CC(C)C[NH2+]C1(CO)CCN(Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000852122174 749779931 /nfs/dbraw/zinc/77/99/31/749779931.db2.gz HVHZAXDRESXYJO-UHFFFAOYSA-N 1 0 355.866 2.821 20 5 FFBDRO O=[N+]([O-])c1cccc(CN(CCOCCO)C2CCC2)c1Br ZINC000852289188 749824440 /nfs/dbraw/zinc/82/44/40/749824440.db2.gz KTGLBSQIZZWXKU-UHFFFAOYSA-N 1 0 373.247 2.721 20 5 FFBDRO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000895996085 971142680 /nfs/dbraw/zinc/14/26/80/971142680.db2.gz OIKIFPNYQCMJPK-OAHLLOKOSA-N 1 0 374.441 2.811 20 5 FFBDRO CN(C(=O)c1cc2ccccc2c([N+](=O)[O-])c1N)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000888922590 971401584 /nfs/dbraw/zinc/40/15/84/971401584.db2.gz CVJZIZOBXCZSFM-AWEZNQCLSA-N 1 0 354.410 2.639 20 5 FFBDRO C[NH+]1CCC2(CCN2C(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)CC1 ZINC000896653525 971653356 /nfs/dbraw/zinc/65/33/56/971653356.db2.gz PPGOEEAIEGDKFE-UHFFFAOYSA-N 1 0 354.410 2.641 20 5 FFBDRO C[C@H]1C[C@@H](NC(=O)COc2ccccc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000134885692 960091945 /nfs/dbraw/zinc/09/19/45/960091945.db2.gz WMJVYVJVXGRZTG-DOTOQJQBSA-N 1 0 369.421 2.753 20 5 FFBDRO C[NH2+]Cc1cn(-c2ncc(C(=O)OC)cc2[N+](=O)[O-])c2ccc(C)cc12 ZINC001167120914 960180868 /nfs/dbraw/zinc/18/08/68/960180868.db2.gz DNVAQBPZTJRSFX-UHFFFAOYSA-N 1 0 354.366 2.748 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCN(C)c2ncccc2C1 ZINC000872318349 1013209799 /nfs/dbraw/zinc/20/97/99/1013209799.db2.gz RWAOBOIFAOQYPT-UHFFFAOYSA-N 1 0 369.425 2.579 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H]1CN(Cc2ccncc2)CCO1 ZINC000873145211 1013401606 /nfs/dbraw/zinc/40/16/06/1013401606.db2.gz JBGNYKUCDJUCBY-GOSISDBHSA-N 1 0 370.453 2.597 20 5 FFBDRO O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)c1[nH]ncc1[N+](=O)[O-] ZINC000126324454 963558179 /nfs/dbraw/zinc/55/81/79/963558179.db2.gz IPCXGKVIAXLJMU-UHFFFAOYSA-N 1 0 357.414 2.624 20 5 FFBDRO O=C(CC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1)Nc1ccc(F)cc1 ZINC000051233018 964422798 /nfs/dbraw/zinc/42/27/98/964422798.db2.gz YQTACLMGPCDHAF-UHFFFAOYSA-N 1 0 372.400 2.885 20 5 FFBDRO Cc1noc(CN(C[C@H](O)COc2cccc(C)c2)C(C)C)c1[N+](=O)[O-] ZINC001167487296 964582038 /nfs/dbraw/zinc/58/20/38/964582038.db2.gz JMGQOPOLXPVHPT-HNNXBMFYSA-N 1 0 363.414 2.850 20 5 FFBDRO CC[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@H]1CCCOC1 ZINC001175661721 1013530098 /nfs/dbraw/zinc/53/00/98/1013530098.db2.gz RXINIYNPAHLXGE-ZFWWWQNUSA-N 1 0 365.430 2.727 20 5 FFBDRO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2-c1cnc(N)nc1C ZINC001175671378 1013534495 /nfs/dbraw/zinc/53/44/95/1013534495.db2.gz ROLXNUFSWLAXDZ-UHFFFAOYSA-N 1 0 360.421 2.925 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1CN1CC[NH+](CCCOC(C)(C)C)CC1 ZINC001175732539 1013545265 /nfs/dbraw/zinc/54/52/65/1013545265.db2.gz DIEGLGVUZCOZTQ-UHFFFAOYSA-N 1 0 365.474 2.926 20 5 FFBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)N3CC[C@@H]4CCC[C@@H]43)c2)CC1 ZINC000934036138 965545432 /nfs/dbraw/zinc/54/54/32/965545432.db2.gz DKCHIJJNWJSBRV-YOEHRIQHSA-N 1 0 373.457 2.753 20 5 FFBDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000825688473 1013601121 /nfs/dbraw/zinc/60/11/21/1013601121.db2.gz LNCSSAIEINLCCK-RDTXWAMCSA-N 1 0 371.437 2.874 20 5 FFBDRO CCc1ccc([C@@H]2C[NH2+]CCN2C(=O)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000262035435 965956413 /nfs/dbraw/zinc/95/64/13/965956413.db2.gz SSLIJIQJQNBQCT-IBGZPJMESA-N 1 0 353.422 2.873 20 5 FFBDRO CC[NH+](CC)CCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 ZINC000050081503 966554966 /nfs/dbraw/zinc/55/49/66/966554966.db2.gz MJNFXJZPZZYUGK-UHFFFAOYSA-N 1 0 362.474 2.903 20 5 FFBDRO COc1ccc(Nc2ccc(N3CC[NH+](C)CC3)c(CO)c2)cc1[N+](=O)[O-] ZINC001176363281 1013695786 /nfs/dbraw/zinc/69/57/86/1013695786.db2.gz NCYMEELUODOTLD-UHFFFAOYSA-N 1 0 372.425 2.591 20 5 FFBDRO CN(C(=O)Cn1c2ccccc2c(=O)c2ccccc21)C1CCC([NH3+])CC1 ZINC000237221107 967607363 /nfs/dbraw/zinc/60/73/63/967607363.db2.gz XIMVMSPOVKXDGU-UHFFFAOYSA-N 1 0 363.461 2.883 20 5 FFBDRO Cc1cc(F)cc(C(=O)N2CCN(c3cc[nH+]cc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000895269789 968913150 /nfs/dbraw/zinc/91/31/50/968913150.db2.gz DZDKFUWNGKRLDR-CYBMUJFWSA-N 1 0 358.373 2.788 20 5 FFBDRO C[C@@H]([NH2+]C1(CNc2c([N+](=O)[O-])cnn2C)CCOCC1)c1ccccc1 ZINC000892533786 969387205 /nfs/dbraw/zinc/38/72/05/969387205.db2.gz PWHILJUYTVBKII-CQSZACIVSA-N 1 0 359.430 2.640 20 5 FFBDRO C[C@H]1C[C@H](Oc2ccc([N+](=O)[O-])c(I)c2)CC[NH2+]1 ZINC001218058441 969409150 /nfs/dbraw/zinc/40/91/50/969409150.db2.gz WZIBLCYVPSHQFB-WCBMZHEXSA-N 1 0 362.167 2.719 20 5 FFBDRO Cn1c2ccccc2c(N2CC[C@@H](C[N@H+](C)CC3CC3)C2)c([N+](=O)[O-])c1=O ZINC000892764413 970278446 /nfs/dbraw/zinc/27/84/46/970278446.db2.gz XINGRCYZMUMQJD-HNNXBMFYSA-N 1 0 370.453 2.615 20 5 FFBDRO Cn1ncc([N+](=O)[O-])c1N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000892776702 970284462 /nfs/dbraw/zinc/28/44/62/970284462.db2.gz JUMHMYYHUWBTTN-LJQANCHMSA-N 1 0 355.442 2.821 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)nc1-c1ccccc1 ZINC000897220653 973458623 /nfs/dbraw/zinc/45/86/23/973458623.db2.gz CWTIHFYUWAOSCH-IAGOWNOFSA-N 1 0 368.437 2.692 20 5 FFBDRO CC(C)[C@H]([NH3+])CCNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000662726086 973806110 /nfs/dbraw/zinc/80/61/10/973806110.db2.gz KCOQPMKJCNDQCQ-QGZVFWFLSA-N 1 0 351.450 2.644 20 5 FFBDRO CN(C)C(=O)OC[C@H]1CCCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000796548642 1014261307 /nfs/dbraw/zinc/26/13/07/1014261307.db2.gz BTQYBPXPQICZAG-MRXNPFEDSA-N 1 0 365.430 2.916 20 5 FFBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000843814349 977306081 /nfs/dbraw/zinc/30/60/81/977306081.db2.gz FKUNQUPMHLRXBO-UHFFFAOYSA-N 1 0 367.421 2.662 20 5 FFBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1c1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC000893825991 977561918 /nfs/dbraw/zinc/56/19/18/977561918.db2.gz BCELXNWDWUQMMY-UONOGXRCSA-N 1 0 356.426 2.510 20 5 FFBDRO O=C(NC1(C[NH2+]CCc2ccc(Cl)cc2)CCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001481897107 977742380 /nfs/dbraw/zinc/74/23/80/977742380.db2.gz OEBCGJZJJHXCRK-HZPDHXFCSA-N 1 0 365.861 2.566 20 5 FFBDRO CC(C)(C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)c1ccc2c(c1)OCCO2 ZINC000876986643 1014441281 /nfs/dbraw/zinc/44/12/81/1014441281.db2.gz HOXJXWVBGVDJFS-UHFFFAOYSA-N 1 0 372.425 2.833 20 5 FFBDRO C[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[C@@H](O)c1ccc(F)cc1 ZINC000877034535 1014456046 /nfs/dbraw/zinc/45/60/46/1014456046.db2.gz JQDQQCQCBGYDLS-ORAYPTAESA-N 1 0 374.416 2.809 20 5 FFBDRO C[C@]([NH3+])(C(=O)N[C@@H]1[C@@H]2Cc3c(cccc3Cl)[C@@H]21)c1cccc([N+](=O)[O-])c1 ZINC000877060448 1014463993 /nfs/dbraw/zinc/46/39/93/1014463993.db2.gz XPWSOOAVFLZIOG-NOCIGQNYSA-N 1 0 371.824 2.877 20 5 FFBDRO C[C@@H]1C[C@@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CN1Cc1ccccc1 ZINC000877093792 1014475748 /nfs/dbraw/zinc/47/57/48/1014475748.db2.gz FECWCGFWSXUXHK-CCGTUFIJSA-N 1 0 355.442 2.747 20 5 FFBDRO Cc1cccc([C@H](O)C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1 ZINC000877092105 1014473660 /nfs/dbraw/zinc/47/36/60/1014473660.db2.gz UOZORFLCKOUENQ-GOSISDBHSA-N 1 0 356.426 2.590 20 5 FFBDRO O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877282358 1014536575 /nfs/dbraw/zinc/53/65/75/1014536575.db2.gz DHPZOGNXQVUHQU-YLJYHZDGSA-N 1 0 361.445 2.508 20 5 FFBDRO O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000877398972 1014573145 /nfs/dbraw/zinc/57/31/45/1014573145.db2.gz PXBHGMILBTYTMB-SIKLNZKXSA-N 1 0 361.445 2.556 20 5 FFBDRO COc1ccc(CNCC2([NH3+])CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000904449955 980279343 /nfs/dbraw/zinc/27/93/43/980279343.db2.gz NTCDEOBRRIELSG-UHFFFAOYSA-N 1 0 357.410 2.763 20 5 FFBDRO C[C@@]1(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCOC2(CCC2)C1 ZINC000905493071 980457373 /nfs/dbraw/zinc/45/73/73/980457373.db2.gz QRLXMXMPMIOTMF-SJLPKXTDSA-N 1 0 364.442 2.664 20 5 FFBDRO CO[C@H]1C[C@@H]2C[N@H+](CCc3ccc([N+](=O)[O-])cc3)Cc3cccnc3N2C1 ZINC000877686907 1014678193 /nfs/dbraw/zinc/67/81/93/1014678193.db2.gz ATCVMPLETVOBRQ-MOPGFXCFSA-N 1 0 368.437 2.642 20 5 FFBDRO O=c1c2ccccc2ncn1CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130144301 981100362 /nfs/dbraw/zinc/10/03/62/981100362.db2.gz MFFFSUZYHLIKIB-UHFFFAOYSA-N 1 0 364.405 2.969 20 5 FFBDRO O=C([C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000906637058 981107353 /nfs/dbraw/zinc/10/73/53/981107353.db2.gz XVLSOHZMIRMXND-NZSAHSFTSA-N 1 0 357.454 2.937 20 5 FFBDRO c1cnc2c(c1)ccc1ccc(-c3noc([C@@H]4C[NH2+]C[C@H]5CCO[C@H]54)n3)nc12 ZINC001211932492 981205598 /nfs/dbraw/zinc/20/55/98/981205598.db2.gz WXWHFIRMRNMPDF-SPYBWZPUSA-N 1 0 373.416 2.925 20 5 FFBDRO CCOC(=O)[C@H](C)C1CN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000877828158 1014745625 /nfs/dbraw/zinc/74/56/25/1014745625.db2.gz AYFJPZYZCLXZRA-CYBMUJFWSA-N 1 0 372.425 2.626 20 5 FFBDRO CC[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)[C@H](C)C1 ZINC000910293606 981901634 /nfs/dbraw/zinc/90/16/34/981901634.db2.gz PJBDAGWMYFLULO-OAHLLOKOSA-N 1 0 360.458 2.751 20 5 FFBDRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cc3ccccc3c([N+](=O)[O-])c1N)C2 ZINC000897877069 982542128 /nfs/dbraw/zinc/54/21/28/982542128.db2.gz SXUBKCCIKZVNHR-HXUWFJFHSA-N 1 0 368.437 2.888 20 5 FFBDRO C[C@H]1CCC[C@H](C)[NH+]1CC(N)=NOCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000842048561 982643738 /nfs/dbraw/zinc/64/37/38/982643738.db2.gz CPWLXQKHIXJMGB-RYUDHWBXSA-N 1 0 365.390 2.764 20 5 FFBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]Cc1cnc2n1CCOC2 ZINC000898267288 982660305 /nfs/dbraw/zinc/66/03/05/982660305.db2.gz FQGWUPJAGGMGAU-WMLDXEAASA-N 1 0 356.426 2.823 20 5 FFBDRO C/C(=C/C(=O)NC1CC[NH+](C2CCOCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000912347379 984014365 /nfs/dbraw/zinc/01/43/65/984014365.db2.gz RUWQJSCQZXWSRQ-PFONDFGASA-N 1 0 373.453 2.758 20 5 FFBDRO C[NH+]1C[C@]2(C)CN(C(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)C[C@@]2(C)C1 ZINC000913294073 984234467 /nfs/dbraw/zinc/23/44/67/984234467.db2.gz HZCOIQKLRNYCIT-WOJBJXKFSA-N 1 0 372.469 2.609 20 5 FFBDRO CCOC(=O)CC[N@H+](CC1CC1)Cn1nc(C)c2ccc([N+](=O)[O-])cc21 ZINC000761291840 985126238 /nfs/dbraw/zinc/12/62/38/985126238.db2.gz WREZUCKIHUELHT-UHFFFAOYSA-N 1 0 360.414 2.876 20 5 FFBDRO Cc1cccc(CCC[NH+]2CCC(N(C)C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 ZINC001005381437 989740442 /nfs/dbraw/zinc/74/04/42/989740442.db2.gz KNIZSUIBBXGLNT-RTBURBONSA-N 1 0 359.470 2.516 20 5 FFBDRO Cc1ccc(CCC[NH+]2CCC(N(C)C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1 ZINC001005381399 989740469 /nfs/dbraw/zinc/74/04/69/989740469.db2.gz KDVZYQBOLFHDIC-RTBURBONSA-N 1 0 359.470 2.516 20 5 FFBDRO Cc1cccc(C)c1C[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC2 ZINC001035186440 990402504 /nfs/dbraw/zinc/40/25/04/990402504.db2.gz FMAZHHHIKXGUMK-IEBWSBKVSA-N 1 0 371.481 2.783 20 5 FFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(CC[N@H+](CCCc3ccccc3)C2)CC1 ZINC001035187576 990409284 /nfs/dbraw/zinc/40/92/84/990409284.db2.gz XLEAORGHGIYRGD-RTBURBONSA-N 1 0 371.481 2.599 20 5 FFBDRO C[C@@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1cccc([N+](=O)[O-])c1 ZINC000180432429 991491893 /nfs/dbraw/zinc/49/18/93/991491893.db2.gz JYAPLBSMWGYOTD-GFCCVEGCSA-N 1 0 358.354 2.817 20 5 FFBDRO Cc1cncc([C@@H]2CCC[N@@H+]2C[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000879750344 1015665238 /nfs/dbraw/zinc/66/52/38/1015665238.db2.gz TUJGKQFAKNHLFA-IRXDYDNUSA-N 1 0 357.410 2.875 20 5 FFBDRO Cc1cncc([C@H]2CCC[N@@H+]2C[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000879749197 1015664839 /nfs/dbraw/zinc/66/48/39/1015664839.db2.gz UIVJIZHADFMKGF-IEBWSBKVSA-N 1 0 357.410 2.875 20 5 FFBDRO CC[C@H]([NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)[C@@H]1CCCOC1 ZINC000880468098 1015843529 /nfs/dbraw/zinc/84/35/29/1015843529.db2.gz BSCJHVXKAVNSEZ-HIFRSBDPSA-N 1 0 363.414 2.688 20 5 FFBDRO C[NH+]1CCC(CNC(=O)c2cccc([N+](=O)[O-])c2)(c2ccccc2)CC1 ZINC001131623680 994466177 /nfs/dbraw/zinc/46/61/77/994466177.db2.gz ZKQJQBZBHCIXLY-UHFFFAOYSA-N 1 0 353.422 2.988 20 5 FFBDRO CCOc1cc(CONC(=[NH2+])[C@@H]2COc3ccccc3O2)ccc1[N+](=O)[O-] ZINC000809997130 994659335 /nfs/dbraw/zinc/65/93/35/994659335.db2.gz VHXOOMSXNNMTJZ-KRWDZBQOSA-N 1 0 373.365 2.832 20 5 FFBDRO O=C(O[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000810845660 994951820 /nfs/dbraw/zinc/95/18/20/994951820.db2.gz FQLOMWSYEHRTMH-UONOGXRCSA-N 1 0 356.382 2.564 20 5 FFBDRO CCOc1cc(C(=O)O[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c([N+](=O)[O-])cc1OC ZINC000810846309 994953934 /nfs/dbraw/zinc/95/39/34/994953934.db2.gz IROBERZTOZKVKJ-QWHCGFSZSA-N 1 0 364.398 2.786 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])cc(-n2c(-c3ccccc3)cnc2[C@H](C)[NH3+])n1 ZINC001170679271 995455800 /nfs/dbraw/zinc/45/58/00/995455800.db2.gz FIIQQZDHMNSHCK-NSHDSACASA-N 1 0 367.365 2.649 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCC[C@](CO)(Cc3ccccc3)C2)cc1 ZINC000812873999 995557410 /nfs/dbraw/zinc/55/74/10/995557410.db2.gz RQAZNMYHUNGVQI-RTWAWAEBSA-N 1 0 370.449 2.945 20 5 FFBDRO NC(=O)COc1ccc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000824820455 997101745 /nfs/dbraw/zinc/10/17/45/997101745.db2.gz FYYMNRVSOJZKQG-QGZVFWFLSA-N 1 0 369.421 2.839 20 5 FFBDRO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000825040370 997189273 /nfs/dbraw/zinc/18/92/73/997189273.db2.gz IWYHYCGNHQJGSA-MSOLQXFVSA-N 1 0 361.442 2.885 20 5 FFBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000825124336 997222881 /nfs/dbraw/zinc/22/28/81/997222881.db2.gz NQWZFYFMVFLMPV-RVKKMQEKSA-N 1 0 363.458 2.503 20 5 FFBDRO [NH3+][C@@H]1CCc2c3ccccc3n(-c3ccc([N+](=O)[O-])c4c3CNC4=O)c2C1 ZINC001171097287 997570444 /nfs/dbraw/zinc/57/04/44/997570444.db2.gz ADEZOMZOYIEFHW-LLVKDONJSA-N 1 0 362.389 2.598 20 5 FFBDRO Cc1cc2cc3ccc(N(C)C)cc3nc2cc1NC(=O)CN(C)C(N)=[NH2+] ZINC001144140695 998051324 /nfs/dbraw/zinc/05/13/24/998051324.db2.gz CUKPXOFDZVVKHS-UHFFFAOYSA-N 1 0 364.453 2.526 20 5 FFBDRO COc1nc(-n2cc(C[C@@H](C)[NH3+])c3ccc(C)cc32)nc(C)c1[N+](=O)[O-] ZINC001171164586 998376743 /nfs/dbraw/zinc/37/67/43/998376743.db2.gz JGCVAPCHNJYQCV-LLVKDONJSA-N 1 0 355.398 2.844 20 5 FFBDRO CN(C(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000732004904 998392055 /nfs/dbraw/zinc/39/20/55/998392055.db2.gz SMWNKYXIIPRQFA-UHFFFAOYSA-N 1 0 357.410 2.741 20 5 FFBDRO CN(C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000732166295 998497944 /nfs/dbraw/zinc/49/79/44/998497944.db2.gz NRMHEVQSESECQZ-INIZCTEOSA-N 1 0 358.442 2.504 20 5 FFBDRO Cc1c(C(=O)OC[C@@H]2CC[N@@H+]2C(C)(C)C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000845740026 998631153 /nfs/dbraw/zinc/63/11/53/998631153.db2.gz XAKWAPALKRGTDR-HNNXBMFYSA-N 1 0 373.413 2.514 20 5 FFBDRO C[N@@H+]1CCCC[C@@H]1CCC(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000803860687 1016248913 /nfs/dbraw/zinc/24/89/13/1016248913.db2.gz PLCBQBLNZWRUPG-OAHLLOKOSA-N 1 0 364.398 2.769 20 5 FFBDRO C[C@H](OC(=O)CC[C@@H]1CCCC[N@@H+]1C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000803859746 1016248325 /nfs/dbraw/zinc/24/83/25/1016248325.db2.gz VQSNJIRZDMNBQP-KBPBESRZSA-N 1 0 363.414 2.730 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2cnn(C[N@@H+]3CCC[C@H](C4OCCO4)C3)c2)cc1 ZINC000738147634 999621244 /nfs/dbraw/zinc/62/12/44/999621244.db2.gz FEIQXOWAGKWIOO-HNNXBMFYSA-N 1 0 358.398 2.501 20 5 FFBDRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000738516433 999626146 /nfs/dbraw/zinc/62/61/46/999626146.db2.gz AEZVDQHACPNDKP-UHFFFAOYSA-N 1 0 357.410 2.694 20 5 FFBDRO CC[C@H](C(=O)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+](CC)CC ZINC000741033548 999701748 /nfs/dbraw/zinc/70/17/48/999701748.db2.gz SIRMSTRXVDSIKZ-CQSZACIVSA-N 1 0 362.386 2.808 20 5 FFBDRO CC[C@@H](C(=O)O[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)[NH+](CC)CC ZINC000745093764 999892192 /nfs/dbraw/zinc/89/21/92/999892192.db2.gz VWDNIPKGGUSIFZ-HIFRSBDPSA-N 1 0 365.430 2.894 20 5 FFBDRO CC(C)[NH+](CCCNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)C(C)C ZINC000746344079 999979879 /nfs/dbraw/zinc/97/98/79/999979879.db2.gz ITMBQEZMVOKXAT-UHFFFAOYSA-N 1 0 361.446 2.570 20 5 FFBDRO COC(=O)c1cc(Br)ccc1C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168984465 1000012419 /nfs/dbraw/zinc/01/24/19/1000012419.db2.gz OHGAFRPIXTURDG-ZWNOBZJWSA-N 1 0 371.231 2.771 20 5 FFBDRO CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C[NH2+][C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC[C@@H]2C1 ZINC001168965009 1000013200 /nfs/dbraw/zinc/01/32/00/1000013200.db2.gz XHSLQULTXSRVMA-BPKGMFCQSA-N 1 0 367.490 2.915 20 5 FFBDRO CC(C)(C)OC(=O)Nc1cccc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)n1 ZINC001169001288 1000014507 /nfs/dbraw/zinc/01/45/07/1000014507.db2.gz FIAKSYCZSYGDBE-QWHCGFSZSA-N 1 0 350.419 2.964 20 5 FFBDRO CC(C)(C)OC(=O)N1CCC12CC[NH+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169013591 1000015565 /nfs/dbraw/zinc/01/55/65/1000015565.db2.gz VLGXZPLSVKXKRW-LSDHHAIUSA-N 1 0 353.463 2.907 20 5 FFBDRO CC(C)(C)OC(=O)N1CC([C@@H]2CC[N@@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)C1 ZINC001169014443 1000015666 /nfs/dbraw/zinc/01/56/66/1000015666.db2.gz ZVDFNZMKEUNOPR-IIAWOOMASA-N 1 0 353.463 2.621 20 5 FFBDRO COc1ccc(Cl)cc1N1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169037555 1000016734 /nfs/dbraw/zinc/01/67/34/1000016734.db2.gz SKMIGYVYUVHDAW-ZFWWWQNUSA-N 1 0 353.850 2.916 20 5 FFBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCCC3(CCN(c4ncccn4)CC3)C2)C1 ZINC001169022269 1000017959 /nfs/dbraw/zinc/01/79/59/1000017959.db2.gz RLRKVYGVOWXDKG-SJORKVTESA-N 1 0 359.474 2.604 20 5 FFBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2C[C@@H]3COC[C@]3(COCC3CCCC3)C2)C1 ZINC001169025799 1000018080 /nfs/dbraw/zinc/01/80/80/1000018080.db2.gz VJGAENBQOIRTFY-WJFTUGDTSA-N 1 0 352.475 2.587 20 5 FFBDRO COc1cc(N2CC[NH+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)ccc1Cl ZINC001169046805 1000018465 /nfs/dbraw/zinc/01/84/65/1000018465.db2.gz NDISEZJYFOGLAD-KBPBESRZSA-N 1 0 353.850 2.916 20 5 FFBDRO O=C(c1ccc(Cl)cc1)N1CCC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169049645 1000018637 /nfs/dbraw/zinc/01/86/37/1000018637.db2.gz XENIIFWDLLEVAN-YOEHRIQHSA-N 1 0 365.861 2.933 20 5 FFBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCN(c3ccc(-c4ncccn4)cc3)CC2)C1 ZINC001169055350 1000018946 /nfs/dbraw/zinc/01/89/46/1000018946.db2.gz PUZAPOFJTCEDEB-LPHOPBHVSA-N 1 0 367.453 2.711 20 5 FFBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCN(c3ccc(-c4ncccn4)cc3)CC2)C1 ZINC001169055352 1000019057 /nfs/dbraw/zinc/01/90/57/1000019057.db2.gz PUZAPOFJTCEDEB-VQIMIIECSA-N 1 0 367.453 2.711 20 5 FFBDRO CS(=O)(=O)c1ccc(C2CC[NH+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)cc1 ZINC001169057960 1000019218 /nfs/dbraw/zinc/01/92/18/1000019218.db2.gz ZMFPSAPFMPMNCM-RHSMWYFYSA-N 1 0 366.483 2.715 20 5 FFBDRO [NH3+]Cc1cnnn1-c1ccc2ccc3ccc(Br)nc3c2n1 ZINC001169311924 1000037921 /nfs/dbraw/zinc/03/79/21/1000037921.db2.gz JHLOFSRGZZNJAN-UHFFFAOYSA-N 1 0 355.199 2.585 20 5 FFBDRO Cc1ccc(NCCCNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC001147332178 1000873965 /nfs/dbraw/zinc/87/39/65/1000873965.db2.gz WWBKFUOGLCVWPK-HOTGVXAUSA-N 1 0 362.474 2.942 20 5 FFBDRO COC(=O)c1cc(NC(=O)C2C[NH+](C3CCCCC3)C2)cc([N+](=O)[O-])c1 ZINC001147832059 1000984102 /nfs/dbraw/zinc/98/41/02/1000984102.db2.gz YGKWBJYIYOFJLR-UHFFFAOYSA-N 1 0 361.398 2.584 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(Cc2noc(CCCC[NH+]3CCCC3)n2)c1 ZINC000771389348 1001098738 /nfs/dbraw/zinc/09/87/38/1001098738.db2.gz GZOKEPZPJIQZHR-UHFFFAOYSA-N 1 0 360.414 2.996 20 5 FFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccc(-n2cncn2)nc1 ZINC000786810311 1001630728 /nfs/dbraw/zinc/63/07/28/1001630728.db2.gz VGAXJYNYCYLHME-AUWJEWJLSA-N 1 0 350.382 2.764 20 5 FFBDRO Cc1ccc(N2CC[C@H]([NH2+][C@H](C)c3ccc(N)c([N+](=O)[O-])c3)C2=O)cc1 ZINC000788663581 1001846626 /nfs/dbraw/zinc/84/66/26/1001846626.db2.gz HFDHFWQJDNCUFK-DYVFJYSZSA-N 1 0 354.410 2.942 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@H]3COC4(CCCC4)O3)CC2)cc1 ZINC000774478614 1001925268 /nfs/dbraw/zinc/92/52/68/1001925268.db2.gz MYIUPUPUWOWWCU-SFHVURJKSA-N 1 0 361.442 2.839 20 5 FFBDRO [NH2+]=c1ccc2nc3c(cc(NC(=O)[C@H]4CCNC4=O)c4ccccc43)oc-2c1 ZINC001183011605 1002121814 /nfs/dbraw/zinc/12/18/14/1002121814.db2.gz LGGAMFGCTUXKDE-AWEZNQCLSA-N 1 0 372.384 2.640 20 5 FFBDRO CC(C)(O)CN1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC001183268573 1002220903 /nfs/dbraw/zinc/22/09/03/1002220903.db2.gz HMNFEZKWSGUWPN-BPQIPLTHSA-N 1 0 361.486 2.741 20 5 FFBDRO C[C@@H]1C[NH+](Cc2ccc(CNc3nn(C)cc3[N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC001184821718 1002728721 /nfs/dbraw/zinc/72/87/21/1002728721.db2.gz WACXIUSBTJUZIS-ZIAGYGMSSA-N 1 0 359.430 2.550 20 5 FFBDRO CC(C)[NH+]1CCN(CCCOC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000791814091 1002813658 /nfs/dbraw/zinc/81/36/58/1002813658.db2.gz YPBOSUVPEYKPQR-UHFFFAOYSA-N 1 0 374.441 2.649 20 5 FFBDRO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)c1cc([N+](=O)[O-])cn1C ZINC000791980013 1002862337 /nfs/dbraw/zinc/86/23/37/1002862337.db2.gz KUCZCSNEEFIHMB-RDJZCZTQSA-N 1 0 354.410 2.690 20 5 FFBDRO CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)O1 ZINC001170276210 1003085537 /nfs/dbraw/zinc/08/55/37/1003085537.db2.gz CDNSCQHEOVRALO-MCIONIFRSA-N 1 0 363.336 2.750 20 5 FFBDRO COc1ccc(C[C@@H](CO)[NH2+][C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC001170313979 1003104358 /nfs/dbraw/zinc/10/43/58/1003104358.db2.gz SKAJVSTWPWTDMV-PBHICJAKSA-N 1 0 374.437 2.736 20 5 FFBDRO COc1ccc(C[C@H](C)Nc2ccc([C@H](C[NH3+])CO)cc2)c([N+](=O)[O-])c1 ZINC001170327469 1003114628 /nfs/dbraw/zinc/11/46/28/1003114628.db2.gz RVXDGHCAIZJNFS-XJKSGUPXSA-N 1 0 359.426 2.681 20 5 FFBDRO COc1ccc(C[C@H](C)[N@@H+]2CCCC[C@@]23CC(=O)N(C)C3)c([N+](=O)[O-])c1 ZINC001170340484 1003130336 /nfs/dbraw/zinc/13/03/36/1003130336.db2.gz MBPQAXMAKZZVGF-LIRRHRJNSA-N 1 0 361.442 2.621 20 5 FFBDRO COC(=O)C1(C)CC[NH+]([C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC001170344582 1003132150 /nfs/dbraw/zinc/13/21/50/1003132150.db2.gz CJAQCLTXZSGJHP-ZDUSSCGKSA-N 1 0 350.415 2.810 20 5 FFBDRO CCCN(CC[NH+](CC)CC)c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC001186061046 1003179452 /nfs/dbraw/zinc/17/94/52/1003179452.db2.gz DGKMBWMNJGQATC-UHFFFAOYSA-N 1 0 351.373 2.905 20 5 FFBDRO COC(=O)[C@H](Cc1ccccc1)[C@H](C)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000792931974 1003239352 /nfs/dbraw/zinc/23/93/52/1003239352.db2.gz BJKAXMWUHTZPAY-KYNGSXCRSA-N 1 0 372.421 2.638 20 5 FFBDRO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC001196773857 1003966263 /nfs/dbraw/zinc/96/62/63/1003966263.db2.gz UVECIKVIHAXGBK-UONOGXRCSA-N 1 0 365.430 2.961 20 5 FFBDRO CCO[C@@H]1C[C@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@H]1Oc1ccccc1 ZINC000775502601 1004071485 /nfs/dbraw/zinc/07/14/85/1004071485.db2.gz UBUUDKSZDBFMRQ-VNTMZGSJSA-N 1 0 372.421 2.843 20 5 FFBDRO O=[N+]([O-])c1ccccc1-c1nnc(C[NH2+][C@H]([C@@H](CO)C2CC2)C2CC2)o1 ZINC001170488944 1004141957 /nfs/dbraw/zinc/14/19/57/1004141957.db2.gz CMBVXPRJKDSYOF-YOEHRIQHSA-N 1 0 358.398 2.532 20 5 FFBDRO Cc1cc(C)cc(C2CC[NH+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)c1 ZINC001198466959 1004628037 /nfs/dbraw/zinc/62/80/37/1004628037.db2.gz FJVHXNCNMYHMQT-LJQANCHMSA-N 1 0 358.442 2.649 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(C)CCCC[NH+]1CCCCC1 ZINC001194088359 1004656654 /nfs/dbraw/zinc/65/66/54/1004656654.db2.gz POPKABWRYHOTNV-UHFFFAOYSA-N 1 0 369.487 2.790 20 5 FFBDRO Cc1cc(C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)c(N)c([N+](=O)[O-])c1 ZINC000104856727 1004836141 /nfs/dbraw/zinc/83/61/41/1004836141.db2.gz HHTMKZVBBPECSA-MRXNPFEDSA-N 1 0 360.389 2.657 20 5 FFBDRO C[C@@H]1CC[C@@H](C(N)=O)[C@@H](C)[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Br ZINC001195595668 1004995203 /nfs/dbraw/zinc/99/52/03/1004995203.db2.gz GFIJWSIQWBJRIE-GIPNMCIBSA-N 1 0 370.247 2.832 20 5 FFBDRO COc1ccc(NC(=O)N[C@H](CC[NH+](C)C)c2cccnc2)cc1[N+](=O)[O-] ZINC001202425629 1005348569 /nfs/dbraw/zinc/34/85/69/1005348569.db2.gz RVGYEUAGOXRQMW-OAHLLOKOSA-N 1 0 373.413 2.813 20 5 FFBDRO Nc1ccc(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2)cc1[N+](=O)[O-] ZINC000109529109 1005840043 /nfs/dbraw/zinc/84/00/43/1005840043.db2.gz FPEOYJOXIHFTKH-UHFFFAOYSA-N 1 0 372.450 2.978 20 5 FFBDRO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@H](CC[NH+](C)C)c1cccnc1 ZINC001133907419 1006026580 /nfs/dbraw/zinc/02/65/80/1006026580.db2.gz WUDPIWZPVBDVMY-MRXNPFEDSA-N 1 0 360.389 2.860 20 5 FFBDRO C[N@H+](Cc1cn(C[C@H](O)c2ccc([N+](=O)[O-])cc2)nn1)C1CCCCC1 ZINC000881399065 1006080952 /nfs/dbraw/zinc/08/09/52/1006080952.db2.gz VUPOLTIYCPVTIF-SFHVURJKSA-N 1 0 359.430 2.684 20 5 FFBDRO O=C(CC[NH+]1CCC(c2ccon2)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000852672249 1006134394 /nfs/dbraw/zinc/13/43/94/1006134394.db2.gz ASNITQMSHKSNCB-UHFFFAOYSA-N 1 0 362.361 2.930 20 5 FFBDRO CCCc1ccc(C[NH+]2CCC3(CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)CC2)cc1 ZINC001050516412 1017035946 /nfs/dbraw/zinc/03/59/46/1017035946.db2.gz AJQWMTFPOQZJED-RTBURBONSA-N 1 0 371.481 2.729 20 5 FFBDRO CC(=O)c1c([N+](=O)[O-])cccc1N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000882041449 1006285763 /nfs/dbraw/zinc/28/57/63/1006285763.db2.gz TXUQTLCFRKSGKO-UHFFFAOYSA-N 1 0 361.442 2.879 20 5 FFBDRO Cc1nn(CN2CC[C@H]([N@H+](C)CCc3ccccc3)C2)c(C)c1[N+](=O)[O-] ZINC000853560551 1006444023 /nfs/dbraw/zinc/44/40/23/1006444023.db2.gz OZIYABPFUFTTME-SFHVURJKSA-N 1 0 357.458 2.614 20 5 FFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](C[C@@H](O)c3cc4ccccc4o3)C2)nc1 ZINC000815070005 1006506495 /nfs/dbraw/zinc/50/64/95/1006506495.db2.gz NWOHOCPZWOIKME-GDBMZVCRSA-N 1 0 368.393 2.956 20 5 FFBDRO C[C@@H]1CN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CCN1c1cc[nH+]cc1 ZINC000882822071 1006519985 /nfs/dbraw/zinc/51/99/85/1006519985.db2.gz SQADVHAXODCPIQ-CYBMUJFWSA-N 1 0 367.409 2.590 20 5 FFBDRO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2-c1ccn(C)c(=O)c1 ZINC001206123752 1032153759 /nfs/dbraw/zinc/15/37/59/1032153759.db2.gz YSKOOJXLSOCTQO-UHFFFAOYSA-N 1 0 360.417 2.943 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1ccc(N2CCNC2=O)cc1 ZINC000883286744 1006734132 /nfs/dbraw/zinc/73/41/32/1006734132.db2.gz AODCZXYWXPBJAR-CYBMUJFWSA-N 1 0 370.409 2.984 20 5 FFBDRO Cn1c(=O)oc2cc(C[NH2+]CCc3c[nH]c4ccc([N+](=O)[O-])cc34)ccc21 ZINC000816613091 1007136767 /nfs/dbraw/zinc/13/67/67/1007136767.db2.gz IUIRPEOPPFHFPG-UHFFFAOYSA-N 1 0 366.377 2.853 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)c1C ZINC000884343606 1007386710 /nfs/dbraw/zinc/38/67/10/1007386710.db2.gz FRAXUHLCQZRCLA-GOEBONIOSA-N 1 0 357.385 2.918 20 5 FFBDRO [NH3+]CCOc1cccc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)c1 ZINC000818541506 1007936954 /nfs/dbraw/zinc/93/69/54/1007936954.db2.gz IYDMHRPWNUJDLD-UHFFFAOYSA-N 1 0 356.382 2.759 20 5 FFBDRO COc1cc(C(=O)N2CCCc3cc(C[NH3+])ccc32)cc([N+](=O)[O-])c1C ZINC000818553830 1007941009 /nfs/dbraw/zinc/94/10/09/1007941009.db2.gz SUUWIIVINKOFII-UHFFFAOYSA-N 1 0 355.394 2.964 20 5 FFBDRO CC(C)NC(=O)Nc1ccc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000818956232 1007994854 /nfs/dbraw/zinc/99/48/54/1007994854.db2.gz LJISSRXXDIZAJG-GOSISDBHSA-N 1 0 372.425 2.948 20 5 FFBDRO Cc1ccc([C@@H](C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)N2CCCC2)o1 ZINC000818997295 1008004618 /nfs/dbraw/zinc/00/46/18/1008004618.db2.gz XGRNJHKESQFVRS-QZTJIDSGSA-N 1 0 359.426 2.956 20 5 FFBDRO CC[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1nnc2n1CCCCC2 ZINC000819003736 1008005693 /nfs/dbraw/zinc/00/56/93/1008005693.db2.gz GVFKOFCSTQMKKQ-JKSUJKDBSA-N 1 0 359.430 2.687 20 5 FFBDRO CN(C)c1ccc(NC(=O)CC[NH2+]CCc2ccccc2[N+](=O)[O-])cc1 ZINC000819110728 1008046043 /nfs/dbraw/zinc/04/60/43/1008046043.db2.gz HOUXEDJRTSCTLW-UHFFFAOYSA-N 1 0 356.426 2.822 20 5 FFBDRO CSc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N)[NH+](C)C)cc1 ZINC000819335648 1008101687 /nfs/dbraw/zinc/10/16/87/1008101687.db2.gz NQOUCDLQHMJMGM-KRWDZBQOSA-N 1 0 374.466 2.932 20 5 FFBDRO CC[NH+]1CCN(c2ccc(NC[C@@H](O)c3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC000819396016 1008115032 /nfs/dbraw/zinc/11/50/32/1008115032.db2.gz VWIMMTPMDGRPKU-HXUWFJFHSA-N 1 0 370.453 2.882 20 5 FFBDRO O=C(N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857768104 1008203943 /nfs/dbraw/zinc/20/39/43/1008203943.db2.gz MSPPRUXEHTUKJF-IUODEOHRSA-N 1 0 369.368 2.557 20 5 FFBDRO O=C(N1CCC2(CC[NH2+]CC2)CC1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857765835 1008203944 /nfs/dbraw/zinc/20/39/44/1008203944.db2.gz GEZYTBRBSQBJLO-UHFFFAOYSA-N 1 0 369.368 2.559 20 5 FFBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2N)C1 ZINC001136409077 1008407138 /nfs/dbraw/zinc/40/71/38/1008407138.db2.gz IOZTWRRHNUFPHM-ZFWWWQNUSA-N 1 0 354.410 2.742 20 5 FFBDRO CCC1([NH+]2CCOCC2)CCN(c2ccc([N+](=O)[O-])cc2COC)CC1 ZINC000858822351 1008430093 /nfs/dbraw/zinc/43/00/93/1008430093.db2.gz BMYXQOOOUJXGQZ-UHFFFAOYSA-N 1 0 363.458 2.822 20 5 FFBDRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])cc3ccccc32)C1 ZINC000859251625 1008493392 /nfs/dbraw/zinc/49/33/92/1008493392.db2.gz HIJBKCHBBNPRSB-OAHLLOKOSA-N 1 0 357.410 2.589 20 5 FFBDRO COc1cc(C[NH2+]CCOc2ccc3c(c2)CCC3)c([N+](=O)[O-])cc1O ZINC001177428634 1008620001 /nfs/dbraw/zinc/62/00/01/1008620001.db2.gz FTSGAUKCSPXFJR-UHFFFAOYSA-N 1 0 358.394 2.966 20 5 FFBDRO C[C@@H]1C[C@]2(CC[C@H](C[NH2+][C@H]3CCCC[C@H]3n3ccc([N+](=O)[O-])n3)O2)CO1 ZINC000886766080 1008866992 /nfs/dbraw/zinc/86/69/92/1008866992.db2.gz BLKRPSIFNULRPJ-XLKGFZLASA-N 1 0 364.446 2.591 20 5 FFBDRO COC[C@@H]([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1CCCOC1 ZINC000886913800 1008933915 /nfs/dbraw/zinc/93/39/15/1008933915.db2.gz KJDKZTPLCFOFRI-WMLDXEAASA-N 1 0 361.398 2.781 20 5 FFBDRO Cc1cc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(N)c([N+](=O)[O-])c1 ZINC000126435031 1009229444 /nfs/dbraw/zinc/22/94/44/1009229444.db2.gz XQYUQPDFDBSYET-XJKSGUPXSA-N 1 0 358.442 2.574 20 5 FFBDRO C[C@@H](NC(=O)Nc1ccc(N)c([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000823967618 1009284314 /nfs/dbraw/zinc/28/43/14/1009284314.db2.gz FZWBNGGCQGGMGU-CHWSQXEVSA-N 1 0 361.446 2.952 20 5 FFBDRO C[C@@H]([NH2+][C@@H]1CCc2ccccc2OC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000509519027 1009529111 /nfs/dbraw/zinc/52/91/11/1009529111.db2.gz ZIRCGTYNXWGMJW-CZUORRHYSA-N 1 0 355.394 2.905 20 5 FFBDRO CCN(C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C)C1CC[NH+](C)CC1 ZINC000861895074 1009609556 /nfs/dbraw/zinc/60/95/56/1009609556.db2.gz QEKNGJULYNOZSO-UHFFFAOYSA-N 1 0 364.402 2.676 20 5 FFBDRO CCOC(=O)c1cccc([N+](=O)[O-])c1N1c2ccccc2OC[C@@H]1C[NH3+] ZINC001171394501 1009739172 /nfs/dbraw/zinc/73/91/72/1009739172.db2.gz RUNFMHKZTSZMNI-LBPRGKRZSA-N 1 0 357.366 2.629 20 5 FFBDRO C/C=C/C[C@H]1CCC[N@H+](CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000863340364 1010187000 /nfs/dbraw/zinc/18/70/00/1010187000.db2.gz KFZQAXRZBWIYJQ-FAAWYNLUSA-N 1 0 372.425 2.999 20 5 FFBDRO Cc1nn(C[N@@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000773262169 1010946289 /nfs/dbraw/zinc/94/62/89/1010946289.db2.gz OCKFNFXBKXTPDA-GJZGRUSLSA-N 1 0 359.430 2.744 20 5 FFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1cccnc1N1CCOCC1 ZINC000866228223 1010955535 /nfs/dbraw/zinc/95/55/35/1010955535.db2.gz IVEPIBUPECQNSU-CQSZACIVSA-N 1 0 374.416 2.686 20 5 FFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1ccc2c(c1)C(=O)NCC2 ZINC000866336378 1010978961 /nfs/dbraw/zinc/97/89/61/1010978961.db2.gz DQRYHVSEPMELSY-LBPRGKRZSA-N 1 0 357.385 2.741 20 5 FFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C1CCN(c2cccnn2)CC1 ZINC000866348909 1010980737 /nfs/dbraw/zinc/98/07/37/1010980737.db2.gz ULUGPKGKWMAZMJ-CYBMUJFWSA-N 1 0 359.405 2.714 20 5 FFBDRO C[C@H]([NH2+]Cc1ccnc(N2CCSCC2)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000866474159 1011001558 /nfs/dbraw/zinc/00/15/58/1011001558.db2.gz LEFDGRXRELNAGO-ZDUSSCGKSA-N 1 0 373.482 2.976 20 5 FFBDRO C[C@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C1CC[NH2+]CC1 ZINC000868010041 1011144265 /nfs/dbraw/zinc/14/42/65/1011144265.db2.gz GVYWUUXDBYVQBL-HNNXBMFYSA-N 1 0 363.461 2.659 20 5 FFBDRO CCc1ccc(C(=O)N(CCOC)CC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000869764156 1011925064 /nfs/dbraw/zinc/92/50/64/1011925064.db2.gz ILHJMKXZHOVLSE-UHFFFAOYSA-N 1 0 363.458 2.588 20 5 FFBDRO CCC1([NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCS(=O)(=O)CC1 ZINC001172905577 1012077667 /nfs/dbraw/zinc/07/76/67/1012077667.db2.gz SCFCFEBKURXHRD-MRXNPFEDSA-N 1 0 366.483 2.789 20 5 FFBDRO [NH3+]C[C@@H](CO)c1ccc(N[C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)cc1 ZINC001172907949 1012081379 /nfs/dbraw/zinc/08/13/79/1012081379.db2.gz JUBHRFLGIRZPIX-PKOBYXMFSA-N 1 0 355.438 2.989 20 5 FFBDRO NC(=O)[C@H](Cc1ccccc1)[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172895814 1012097325 /nfs/dbraw/zinc/09/73/25/1012097325.db2.gz JDCQMUNVQCCMFX-MJGOQNOKSA-N 1 0 353.422 2.528 20 5 FFBDRO Cc1cc(N([C@H]2CC[NH2+]C2)[C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)ncn1 ZINC001172911422 1012122259 /nfs/dbraw/zinc/12/22/59/1012122259.db2.gz BMWBQYDQCOIKOP-MJGOQNOKSA-N 1 0 367.453 2.809 20 5 FFBDRO COCC[N@H+](C1CCN(C)CC1)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172912305 1012125833 /nfs/dbraw/zinc/12/58/33/1012125833.db2.gz ZAEBFWGDDLWPED-SFHVURJKSA-N 1 0 361.486 2.885 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH2+][C@@H]3CCC[C@@H](O)C3)CC2)c(F)c1 ZINC001173006482 1012174274 /nfs/dbraw/zinc/17/42/74/1012174274.db2.gz UYTIBOSDJSXNRS-TZMCWYRMSA-N 1 0 355.385 2.735 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH2+]CC3(O)CCCC3)CC2)c(F)c1 ZINC001173005580 1012174474 /nfs/dbraw/zinc/17/44/74/1012174474.db2.gz IEEFNBWDDUKARQ-UHFFFAOYSA-N 1 0 355.385 2.737 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH2+]CCc3nncs3)CC2)c(F)c1 ZINC001173013662 1012184990 /nfs/dbraw/zinc/18/49/90/1012184990.db2.gz ZDJWFDYCFCYFBZ-UHFFFAOYSA-N 1 0 369.397 2.526 20 5 FFBDRO Cc1ncncc1C[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173014567 1012185051 /nfs/dbraw/zinc/18/50/51/1012185051.db2.gz SLGILZMGDMBZOL-UHFFFAOYSA-N 1 0 363.368 2.730 20 5 FFBDRO CC[N@H+](CCN(C)C)C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173014307 1012185060 /nfs/dbraw/zinc/18/50/60/1012185060.db2.gz NBGXJOFRARFGEO-UHFFFAOYSA-N 1 0 356.417 2.725 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C2(CO)Cc3ccccc3C2)c1F ZINC001173181597 1012324430 /nfs/dbraw/zinc/32/44/30/1012324430.db2.gz GKGCCZHOVSULMU-CYBMUJFWSA-N 1 0 374.412 2.793 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]Cc2ccc3nnc(C)n3c2)c1F ZINC001173180529 1012325236 /nfs/dbraw/zinc/32/52/36/1012325236.db2.gz RGUZEXJAODEEOP-NSHDSACASA-N 1 0 373.388 2.814 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+](C)CCc2noc(C)n2)c1F ZINC001173182843 1012325919 /nfs/dbraw/zinc/32/59/19/1012325919.db2.gz UVAZKFURORKQCR-JTQLQIEISA-N 1 0 352.366 2.539 20 5 FFBDRO CCOC(=O)C1(C[NH2+][C@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])CCC1 ZINC001173192799 1012335283 /nfs/dbraw/zinc/33/52/83/1012335283.db2.gz RCTXDAORSGRQCZ-GFCCVEGCSA-N 1 0 368.405 2.997 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2C[C@H]3CCC[N@H+](C)[C@H]3C2)c1F ZINC001173192829 1012335413 /nfs/dbraw/zinc/33/54/13/1012335413.db2.gz NAZMMBDPILMNID-ZENOOKHLSA-N 1 0 351.422 2.700 20 5 FFBDRO COC(=O)[C@H]1CC[C@@H]([NH2+][C@@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])CC1 ZINC001173192949 1012335780 /nfs/dbraw/zinc/33/57/80/1012335780.db2.gz SAYNZWXSRDCQQC-RWMBFGLXSA-N 1 0 368.405 2.995 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CCC[C@H]3C[N@H+](C)C[C@@H]32)c1F ZINC001173195432 1012339277 /nfs/dbraw/zinc/33/92/77/1012339277.db2.gz FXVJPGYCSGUWHB-XEZPLFJOSA-N 1 0 351.422 2.700 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CC[C@H](c3nc(C)no3)C2)c1F ZINC001173197575 1012341606 /nfs/dbraw/zinc/34/16/06/1012341606.db2.gz UPZIWBKKIMTOLF-JQWIXIFHSA-N 1 0 364.377 2.854 20 5 FFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1)C1(C[NH3+])COC1 ZINC001173215359 1012349675 /nfs/dbraw/zinc/34/96/75/1012349675.db2.gz VKAGRSNKFMSUFX-INIZCTEOSA-N 1 0 355.438 2.756 20 5 FFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1CCN(C(=O)N2CCCC2)CC1 ZINC001173215656 1012350110 /nfs/dbraw/zinc/35/01/10/1012350110.db2.gz XYPFZZOMKZEUEZ-HNNXBMFYSA-N 1 0 360.458 2.796 20 5 FFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCN(Cc2ccccc2)[C@H](CO)C1 ZINC001173224445 1012357817 /nfs/dbraw/zinc/35/78/17/1012357817.db2.gz FWOVRMCFNQYBJR-UWJYYQICSA-N 1 0 369.465 2.705 20 5 FFBDRO COc1ccc(N2CC[NH+]([C@H](C)Cc3ccc([N+](=O)[O-])cc3)CC2)nc1 ZINC001173232346 1012364551 /nfs/dbraw/zinc/36/45/51/1012364551.db2.gz AVKGVNKTPDOAAL-OAHLLOKOSA-N 1 0 356.426 2.752 20 5 FFBDRO C[N@H+](CCc1nc(-c2ccccc2)no1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000796387511 1012586534 /nfs/dbraw/zinc/58/65/34/1012586534.db2.gz CXOMTJBLBIZAGP-QGZVFWFLSA-N 1 0 368.393 2.853 20 5 FFBDRO Cn1cc(C(=O)N2CC[N@H+](C)C(C)(C)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000871152621 1012753288 /nfs/dbraw/zinc/75/32/88/1012753288.db2.gz LJZXLAZQSNGRHX-UHFFFAOYSA-N 1 0 371.441 2.552 20 5 FFBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC([NH2+]CC2CCCC2)CC1 ZINC001173690628 1012903093 /nfs/dbraw/zinc/90/30/93/1012903093.db2.gz VWENGZILDOKHDY-UHFFFAOYSA-N 1 0 367.471 2.528 20 5 FFBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000097667649 1012931475 /nfs/dbraw/zinc/93/14/75/1012931475.db2.gz IVKNXPIPFKTGFL-NWDGAFQWSA-N 1 0 364.402 2.662 20 5 FFBDRO Cn1ccnc1[C@@H](NC[C@]12CCC[C@H]1[NH2+]CC2)c1cccc([N+](=O)[O-])c1 ZINC000925839668 1017866536 /nfs/dbraw/zinc/86/65/36/1017866536.db2.gz ISSBEEJBJRCHHT-ZIFCJYIRSA-N 1 0 355.442 2.540 20 5 FFBDRO Cn1ccnc1[C@@H](NC[C@]12CCC[C@H]1[NH2+]CC2)c1ccc([N+](=O)[O-])cc1 ZINC000925839177 1017866559 /nfs/dbraw/zinc/86/65/59/1017866559.db2.gz GWJGVCMHIHGYFY-ZIFCJYIRSA-N 1 0 355.442 2.540 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]Cc3nc4c(s3)COCC4)CC2)cc1 ZINC000927118118 1018372695 /nfs/dbraw/zinc/37/26/95/1018372695.db2.gz SFFKNABLBKGCHL-UHFFFAOYSA-N 1 0 374.466 2.883 20 5 FFBDRO Cn1nnc2c1C[C@@H]([NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)CC2 ZINC000927148633 1018381474 /nfs/dbraw/zinc/38/14/74/1018381474.db2.gz XHTBEVVLDCKWLS-JXFKEZNVSA-N 1 0 363.421 2.960 20 5 FFBDRO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000827675726 1018609094 /nfs/dbraw/zinc/60/90/94/1018609094.db2.gz XPBZHAPIJNMWKV-SFHVURJKSA-N 1 0 371.437 2.655 20 5 FFBDRO C[C@@H]([NH2+]CCCON1C(=O)c2ccccc2C1=O)c1cccc([N+](=O)[O-])c1 ZINC000828663413 1032793276 /nfs/dbraw/zinc/79/32/76/1032793276.db2.gz HZAHCLNOWYNPRP-CYBMUJFWSA-N 1 0 369.377 2.863 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H]1CCc2ccccc2OC1 ZINC000801571451 1019127765 /nfs/dbraw/zinc/12/77/65/1019127765.db2.gz TXIZHNYDQCYJDN-HNNXBMFYSA-N 1 0 355.394 2.825 20 5 FFBDRO C[NH+](C)CC[C@@H](NC(=O)c1cc(F)c([N+](=O)[O-])cc1F)c1cccnc1 ZINC000928838207 1019152965 /nfs/dbraw/zinc/15/29/65/1019152965.db2.gz UWEKSPCZEPSYKH-OAHLLOKOSA-N 1 0 364.352 2.691 20 5 FFBDRO C[C@H](NC(=O)c1cc([N+](=O)[O-])c(F)cc1N)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000801950971 1019536075 /nfs/dbraw/zinc/53/60/75/1019536075.db2.gz OFDHLCJKWRBHIS-RYUDHWBXSA-N 1 0 364.421 2.699 20 5 FFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)OC[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC000802138833 1019788771 /nfs/dbraw/zinc/78/87/71/1019788771.db2.gz PVFWYZVRTZHDOO-AEFFLSMTSA-N 1 0 364.442 2.816 20 5 FFBDRO CC(C)c1ccc(C[NH+]2CCC(C)(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1 ZINC001045436559 1019964795 /nfs/dbraw/zinc/96/47/95/1019964795.db2.gz RYFYNPLEHRWPBW-QZTJIDSGSA-N 1 0 359.470 2.946 20 5 FFBDRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCCc1ccccc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001048525086 1020275803 /nfs/dbraw/zinc/27/58/03/1020275803.db2.gz KLIYTAKKQYFTQE-USYVTKNRSA-N 1 0 371.481 2.644 20 5 FFBDRO CCc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 ZINC001048525407 1020276210 /nfs/dbraw/zinc/27/62/10/1020276210.db2.gz TXFYDVZBGXWJPS-PBOLBBRVSA-N 1 0 371.481 2.773 20 5 FFBDRO Cc1nn(C[N@H+]2CCC[C@@H](c3ccnn3C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000800860939 1020607740 /nfs/dbraw/zinc/60/77/40/1020607740.db2.gz ZUEGOZUYIMDRSE-CQSZACIVSA-N 1 0 354.414 2.824 20 5 FFBDRO COc1cc([C@H](C)[NH2+][C@@H]2CCCN(c3cnn(C)c3)C2)cc([N+](=O)[O-])c1 ZINC000903098887 1020677084 /nfs/dbraw/zinc/67/70/84/1020677084.db2.gz BFHKJJSFAHLKNY-DZGCQCFKSA-N 1 0 359.430 2.657 20 5 FFBDRO COc1cc([C@@H](C)NC2CC[NH+](C[C@H]3CCOC3)CC2)cc([N+](=O)[O-])c1 ZINC000903098308 1020677140 /nfs/dbraw/zinc/67/71/40/1020677140.db2.gz MXXNFFNYCBVGEA-HUUCEWRRSA-N 1 0 363.458 2.755 20 5 FFBDRO CN(C)c1ccnc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000903202081 1020736343 /nfs/dbraw/zinc/73/63/43/1020736343.db2.gz VZUAAHYQKLLFQW-UHFFFAOYSA-N 1 0 355.442 2.814 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@]1(c2cnn(C)c2)CCCO1 ZINC000903358475 1020802573 /nfs/dbraw/zinc/80/25/73/1020802573.db2.gz JZDJLTVDOPMXTQ-FZKQIMNGSA-N 1 0 360.414 2.693 20 5 FFBDRO O=C(CCN1CCn2nc(C3CC3)cc2C1)Nc1ccccc1[N+](=O)[O-] ZINC000932604077 1020845734 /nfs/dbraw/zinc/84/57/34/1020845734.db2.gz JHTWCYVWEDCIGK-UHFFFAOYSA-N 1 0 355.398 2.513 20 5 FFBDRO O=C(CCN1CCn2nc(C3CC3)cc2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000932606407 1020846794 /nfs/dbraw/zinc/84/67/94/1020846794.db2.gz VUKXTZXWUOCEKP-UHFFFAOYSA-N 1 0 355.398 2.513 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N[C@H](C)C[NH+]1CCCCC1 ZINC000749269501 1020910464 /nfs/dbraw/zinc/91/04/64/1020910464.db2.gz WFZNFELEVLMBBN-LLVKDONJSA-N 1 0 366.374 2.576 20 5 FFBDRO CCn1cnc2c1CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C2 ZINC000933257298 1020983999 /nfs/dbraw/zinc/98/39/99/1020983999.db2.gz DXXPPHLHZSBLFM-UHFFFAOYSA-N 1 0 357.414 2.507 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2ncn(CN3CCC([NH+]4CCCCC4)CC3)n2)c1 ZINC000749662081 1021018103 /nfs/dbraw/zinc/01/81/03/1021018103.db2.gz NMWHVMVENSMFQR-UHFFFAOYSA-N 1 0 370.457 2.761 20 5 FFBDRO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000749810668 1021041911 /nfs/dbraw/zinc/04/19/11/1021041911.db2.gz MJHFEKUIQCZRGC-CQSZACIVSA-N 1 0 365.430 2.915 20 5 FFBDRO COC(=O)C1([C@@]2(O)CCC[N@@H+]([C@@H](C)c3ccccc3[N+](=O)[O-])C2)CCC1 ZINC000933841873 1021100977 /nfs/dbraw/zinc/10/09/77/1021100977.db2.gz VRXZRENRTQEXDD-IFXJQAMLSA-N 1 0 362.426 2.826 20 5 FFBDRO C[C@H]1CC[NH2+]CC[C@@H]1Oc1cc(O)cc2oc3c(O)ccc(O)c3c(=O)c12 ZINC001218029362 1032961399 /nfs/dbraw/zinc/96/13/99/1032961399.db2.gz CDABCUBHFQXCCJ-HZMBPMFUSA-N 1 0 371.389 2.830 20 5 FFBDRO CC(C)(C)OC(=O)c1ccc([N+](=O)[O-])c(O[C@@H]2CSC3(C[NH2+]C3)C2)c1 ZINC001218100860 1032994599 /nfs/dbraw/zinc/99/45/99/1032994599.db2.gz YFOHOYJSNHTZMH-LBPRGKRZSA-N 1 0 366.439 2.776 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CCc2c(F)cccc2Cl)c1 ZINC001118090860 1022060823 /nfs/dbraw/zinc/06/08/23/1022060823.db2.gz PPSFINLPXYWYCW-ZDUSSCGKSA-N 1 0 368.792 2.959 20 5 FFBDRO O=C(c1cccn1C1CC[NH2+]CC1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001118266033 1022149130 /nfs/dbraw/zinc/14/91/30/1022149130.db2.gz JQZXDXDQLRWRNN-UHFFFAOYSA-N 1 0 354.410 2.519 20 5 FFBDRO CO[C@H]1COCC[C@H]1N(C)Cc1ccc([N+](=O)[O-])cc1Br ZINC001119271087 1022647338 /nfs/dbraw/zinc/64/73/38/1022647338.db2.gz SXOMQJCKKUTJES-KGLIPLIRSA-N 1 0 359.220 2.593 20 5 FFBDRO Cn1cc([C@H](O)C[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)cn1 ZINC000779075823 1022763798 /nfs/dbraw/zinc/76/37/98/1022763798.db2.gz ZEKIYWAWWYMYHU-MOPGFXCFSA-N 1 0 352.394 2.741 20 5 FFBDRO O=C(COc1cccc([N+](=O)[O-])c1)N1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC001122299763 1023177128 /nfs/dbraw/zinc/17/71/28/1023177128.db2.gz VQQLLZKGDRIELW-OAHLLOKOSA-N 1 0 361.442 2.602 20 5 FFBDRO Cc1nn(C[NH+]2CCC(C3CCOCC3)CC2)c2ncc([N+](=O)[O-])cc12 ZINC000752806693 1023208197 /nfs/dbraw/zinc/20/81/97/1023208197.db2.gz YABRNCAOMAMBQE-UHFFFAOYSA-N 1 0 359.430 2.744 20 5 FFBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC001120525832 1023350316 /nfs/dbraw/zinc/35/03/16/1023350316.db2.gz VPGNHVDSTLKACX-INIZCTEOSA-N 1 0 352.822 2.676 20 5 FFBDRO C[C@H](COc1c(F)cccc1F)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001120609529 1023384440 /nfs/dbraw/zinc/38/44/40/1023384440.db2.gz DPQPLBNZHIHUOG-BZNIZROVSA-N 1 0 352.337 2.964 20 5 FFBDRO CC(C)[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1nnc2ccccn21 ZINC000754187507 1023436604 /nfs/dbraw/zinc/43/66/04/1023436604.db2.gz UFUNGZXQEFHOPT-NVXWUHKLSA-N 1 0 355.398 2.658 20 5 FFBDRO O=c1ccc2ncc(O[C@@H]3C[NH2+]CCC3(F)F)c3c4ccccc4n1c32 ZINC001218453148 1033162245 /nfs/dbraw/zinc/16/22/45/1033162245.db2.gz SECTWEVMVBBJRT-OAHLLOKOSA-N 1 0 355.344 2.815 20 5 FFBDRO CCOc1ccccc1[C@H]([NH3+])CC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001121887167 1024139407 /nfs/dbraw/zinc/13/94/07/1024139407.db2.gz BOQUQLJNMLJBGB-QGZVFWFLSA-N 1 0 355.394 2.926 20 5 FFBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)c1cc2c(s1)C[NH2+]CC2 ZINC001121974286 1024223402 /nfs/dbraw/zinc/22/34/02/1024223402.db2.gz IIGCGYMTJUHJSK-UHFFFAOYSA-N 1 0 351.815 2.885 20 5 FFBDRO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)[C@@H]2C1 ZINC001124025337 1024233154 /nfs/dbraw/zinc/23/31/54/1024233154.db2.gz LHIPJEDIMDSCFM-NQYLQCIDSA-N 1 0 361.445 2.751 20 5 FFBDRO CC[C@H](C)[NH+]1CCN(c2nnc([C@H](C)[N+](=O)[O-])n2Cc2ccccc2)CC1 ZINC001122074066 1024319736 /nfs/dbraw/zinc/31/97/36/1024319736.db2.gz XWXOIICKMUSYAS-HOTGVXAUSA-N 1 0 372.473 2.585 20 5 FFBDRO CC[C@@H](C)[NH+]1CCN(c2nnc([C@H](C)[N+](=O)[O-])n2Cc2ccccc2)CC1 ZINC001122074063 1024320176 /nfs/dbraw/zinc/32/01/76/1024320176.db2.gz XWXOIICKMUSYAS-CVEARBPZSA-N 1 0 372.473 2.585 20 5 FFBDRO [NH3+][C@H]1CN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CC[C@@H]1C(F)(F)F ZINC001122160181 1024396048 /nfs/dbraw/zinc/39/60/48/1024396048.db2.gz WVKHNNLUMQSMCC-KBPBESRZSA-N 1 0 371.359 2.755 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000759236331 1024529599 /nfs/dbraw/zinc/52/95/99/1024529599.db2.gz NQNADQUMKUVXMG-JTQLQIEISA-N 1 0 368.390 2.678 20 5 FFBDRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000195466309 1025022781 /nfs/dbraw/zinc/02/27/81/1025022781.db2.gz LOISGXXESSNQRP-HZPDHXFCSA-N 1 0 364.465 2.724 20 5 FFBDRO C[N@@H+]1CCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)[C@@H](c2ccccc2)C1 ZINC000245197966 1025389010 /nfs/dbraw/zinc/38/90/10/1025389010.db2.gz JYXJAOHGHXNPPB-LJQANCHMSA-N 1 0 366.421 2.973 20 5 FFBDRO CCOc1cc(C[NH+]2CCC([C@H](O)c3ncc[nH]3)CC2)ccc1[N+](=O)[O-] ZINC000839578871 1026743750 /nfs/dbraw/zinc/74/37/50/1026743750.db2.gz APLJKIBRJPPGBM-KRWDZBQOSA-N 1 0 360.414 2.662 20 5 FFBDRO CO[C@H]1C[C@@H]([N@H+](C)Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C12CCC2 ZINC000840141752 1026981958 /nfs/dbraw/zinc/98/19/58/1026981958.db2.gz RXESDQZACNVNBU-CVEARBPZSA-N 1 0 357.414 2.700 20 5 FFBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N(C)[C@H]3CC[NH2+]C3)cc2[N+](=O)[O-])C1 ZINC000247452206 1027068941 /nfs/dbraw/zinc/06/89/41/1027068941.db2.gz ZVUWWVRFRUVHMN-LZWOXQAQSA-N 1 0 360.458 2.511 20 5 FFBDRO Cc1nc(Cl)nc(N2CCC3(CC2)[NH2+]CCc2ccccc23)c1[N+](=O)[O-] ZINC001159008245 1027227013 /nfs/dbraw/zinc/22/70/13/1027227013.db2.gz KRTATJBXRQLGQL-UHFFFAOYSA-N 1 0 373.844 2.988 20 5 FFBDRO CCOC(=O)c1c(Nc2cc(O)cc([N+](=O)[O-])c2)sc2c1CC[NH2+]C2 ZINC001159208299 1027312361 /nfs/dbraw/zinc/31/23/61/1027312361.db2.gz HXRKOMYFAKUOAX-UHFFFAOYSA-N 1 0 363.395 2.928 20 5 FFBDRO Cc1cc(C)c(C[N@H+]2CC=C(CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c(C)c1 ZINC001160090595 1027586420 /nfs/dbraw/zinc/58/64/20/1027586420.db2.gz JWJZSPAHJROLRG-UYAOXDASSA-N 1 0 371.481 2.915 20 5 FFBDRO CCc1ccc(CC[N@H+]2CC=C(CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1 ZINC001160107291 1027592908 /nfs/dbraw/zinc/59/29/08/1027592908.db2.gz LZZSGYKPOBENCZ-WOJBJXKFSA-N 1 0 371.481 2.595 20 5 FFBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1-n1c(CC[NH3+])cc2ccccc21 ZINC001160125284 1027602497 /nfs/dbraw/zinc/60/24/97/1027602497.db2.gz BKTITEWNXMFQJX-UHFFFAOYSA-N 1 0 354.366 2.612 20 5 FFBDRO CCOC(=O)c1ccnc(N(Cc2ccccc2)C[C@H](C)C[NH3+])c1[N+](=O)[O-] ZINC001160667147 1027793448 /nfs/dbraw/zinc/79/34/48/1027793448.db2.gz HPOIQDPVQYOHLV-CQSZACIVSA-N 1 0 372.425 2.768 20 5 FFBDRO [NH3+]CCN(C(=O)c1ccc2oc3ccccc3c(=O)c2c1)c1cccnc1 ZINC001153425611 1027874359 /nfs/dbraw/zinc/87/43/59/1027874359.db2.gz SVIINXPONJCOSB-UHFFFAOYSA-N 1 0 359.385 2.947 20 5 FFBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1Nc1ccc(Br)cc1C[NH3+] ZINC001161853520 1028333678 /nfs/dbraw/zinc/33/36/78/1028333678.db2.gz LLWFLTRYKUKQOK-UHFFFAOYSA-N 1 0 353.176 2.501 20 5 FFBDRO CC1(C)C[NH2+]C[C@H](CNc2nc3ccccc3c(Cl)c2[N+](=O)[O-])O1 ZINC001161953950 1028375345 /nfs/dbraw/zinc/37/53/45/1028375345.db2.gz FNKHROFVCRBXFY-SNVBAGLBSA-N 1 0 350.806 2.975 20 5 FFBDRO COCCC1([NH3+])CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1 ZINC001162045796 1028413151 /nfs/dbraw/zinc/41/31/51/1028413151.db2.gz MYUHUAZLUWLABI-UHFFFAOYSA-N 1 0 356.426 2.991 20 5 FFBDRO COc1cc(C)nc(N(Cc2ccncc2)[C@H]2CC[C@H]([NH3+])CC2)c1[N+](=O)[O-] ZINC001162194881 1028464953 /nfs/dbraw/zinc/46/49/53/1028464953.db2.gz AQMKABICZYRAKI-WKILWMFISA-N 1 0 371.441 2.978 20 5 FFBDRO CC(=O)Nc1cc(N[C@H]2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])cc1Br ZINC001162403170 1028531556 /nfs/dbraw/zinc/53/15/56/1028531556.db2.gz CGNPQYMWDUDNIY-UWVGGRQHSA-N 1 0 371.235 2.998 20 5 FFBDRO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1NC[C@H]1CCC[NH2+]C[C@H]1C ZINC001155018994 1028549433 /nfs/dbraw/zinc/54/94/33/1028549433.db2.gz BRKLWJYISVXCKM-GHMZBOCLSA-N 1 0 370.837 2.868 20 5 FFBDRO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1NC[C@@H]1CCC[NH2+]C[C@@H]1C ZINC001155018997 1028549454 /nfs/dbraw/zinc/54/94/54/1028549454.db2.gz BRKLWJYISVXCKM-QWRGUYRKSA-N 1 0 370.837 2.868 20 5 FFBDRO CC(C)(C)[C@H]1CC[C@@H](Nc2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])CC1 ZINC001162868933 1028687498 /nfs/dbraw/zinc/68/74/98/1028687498.db2.gz ARAXQNADAGNPRB-OKILXGFUSA-N 1 0 362.478 2.811 20 5 FFBDRO CN(C)/C=C/c1cc(NCC[C@@H]2C[NH2+]Cc3cccn3C2)ncc1[N+](=O)[O-] ZINC001155459712 1028744520 /nfs/dbraw/zinc/74/45/20/1028744520.db2.gz WRBSAELETCWAIQ-RZIFZGNASA-N 1 0 370.457 2.545 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)c(F)cnc2NC[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001163278876 1028870637 /nfs/dbraw/zinc/87/06/37/1028870637.db2.gz KZBGCWMRNOKWSN-XIKOKIGWSA-N 1 0 360.389 2.853 20 5 FFBDRO O=[N+]([O-])c1cnc(NC[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)c(C(F)(F)F)c1 ZINC001163284056 1028872783 /nfs/dbraw/zinc/87/27/83/1028872783.db2.gz JWZGAGOLRUBOFC-QMTHXVAHSA-N 1 0 360.336 2.579 20 5 FFBDRO COC(=O)c1ccc([C@@H]([NH3+])CNc2nc(Cl)c(C)cc2[N+](=O)[O-])cc1 ZINC001163461529 1028934746 /nfs/dbraw/zinc/93/47/46/1028934746.db2.gz HUMFGZVPQJDSHN-LBPRGKRZSA-N 1 0 364.789 2.850 20 5 FFBDRO O=[N+]([O-])c1cc(NCc2cccnc2C2CC[NH2+]CC2)nc2[nH]ccc21 ZINC001155999369 1029007596 /nfs/dbraw/zinc/00/75/96/1029007596.db2.gz BECIPELWCSECSQ-UHFFFAOYSA-N 1 0 352.398 2.945 20 5 FFBDRO O=[N+]([O-])c1cc[n+]([O-])cc1N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC001164492476 1029298276 /nfs/dbraw/zinc/29/82/76/1029298276.db2.gz LOXPPCYMPOCDBD-BRWVUGGUSA-N 1 0 354.410 2.551 20 5 FFBDRO Cc1cc([N+](=O)[O-])cnc1NC1(C(=O)OC(C)(C)C)CCC([NH3+])CC1 ZINC001156794786 1029349082 /nfs/dbraw/zinc/34/90/82/1029349082.db2.gz NUQNFQRULSWUOB-UHFFFAOYSA-N 1 0 350.419 2.692 20 5 FFBDRO CC[NH+]1CCC(N(C)c2nc(C(F)(F)F)nc(Cl)c2[N+](=O)[O-])CC1 ZINC001165067715 1029360111 /nfs/dbraw/zinc/36/01/11/1029360111.db2.gz JWXYLEYNWRDICV-UHFFFAOYSA-N 1 0 367.759 2.978 20 5 FFBDRO COc1nc(N(C)[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C)ncc1[N+](=O)[O-] ZINC001165184600 1029440240 /nfs/dbraw/zinc/44/02/40/1029440240.db2.gz XQFHDLZIBPQBPZ-RHSMWYFYSA-N 1 0 371.441 2.740 20 5 FFBDRO Cc1ccc(-c2nc3sccc3c(N3C[C@@H]4C[NH2+][C@@H]4C3)n2)cc1[N+](=O)[O-] ZINC001157624172 1029632044 /nfs/dbraw/zinc/63/20/44/1029632044.db2.gz SFVYOHFKSLMAIU-GXTWGEPZSA-N 1 0 367.434 2.983 20 5 FFBDRO O=C(CC[N@@H+]1CCC[C@H](n2ccnc2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000782488632 1029717058 /nfs/dbraw/zinc/71/70/58/1029717058.db2.gz GHHIDWRZMDQSAJ-AWEZNQCLSA-N 1 0 361.377 2.596 20 5 FFBDRO CC(C)(C)[C@@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@@H]1O ZINC000782531056 1029734917 /nfs/dbraw/zinc/73/49/17/1029734917.db2.gz LGLXVEGCKHWEER-CJNGLKHVSA-N 1 0 367.421 2.791 20 5 FFBDRO C[N@H+](C1CN(c2nc3ccccc3c(Cl)c2[N+](=O)[O-])C1)[C@@H]1CCOC1 ZINC001165205668 1029891981 /nfs/dbraw/zinc/89/19/81/1029891981.db2.gz OWIZGRJVBPHOET-LLVKDONJSA-N 1 0 362.817 2.706 20 5 FFBDRO COc1cc(N2[C@H](C(F)(F)F)CCC23CC[NH2+]CC3)ncc1[N+](=O)[O-] ZINC001165303285 1029938773 /nfs/dbraw/zinc/93/87/73/1029938773.db2.gz FXCMDJKTMAXPOW-LBPRGKRZSA-N 1 0 360.336 2.652 20 5 FFBDRO CC(C)N(c1ncnc2c1CC[NH2+]CC2)c1nccc(Cl)c1[N+](=O)[O-] ZINC001165512634 1030005981 /nfs/dbraw/zinc/00/59/81/1030005981.db2.gz MXSLVKVSTSKHLM-UHFFFAOYSA-N 1 0 362.821 2.668 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC001142131861 1030073040 /nfs/dbraw/zinc/07/30/40/1030073040.db2.gz DITGLBMOSMCMQR-UHFFFAOYSA-N 1 0 368.437 2.940 20 5 FFBDRO O=C1NCC2(CC[NH+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)O1 ZINC000783721537 1030252933 /nfs/dbraw/zinc/25/29/33/1030252933.db2.gz CWHKZDRSZVBVNJ-UHFFFAOYSA-N 1 0 357.366 2.929 20 5 FFBDRO N=c1nc([C@@H]2CCC[NH2+]2)ccn1-c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC001166702755 1030486299 /nfs/dbraw/zinc/48/62/99/1030486299.db2.gz RWDSTZKJXMELQJ-AWEZNQCLSA-N 1 0 362.393 2.746 20 5 FFBDRO CC(=CC(=O)OC(C)C)Nc1ccc([N+](=O)[O-])c(OCC[NH+](C)C)c1 ZINC001166763235 1030510523 /nfs/dbraw/zinc/51/05/23/1030510523.db2.gz AZLJOCHDJRVAPA-RAXLEYEMSA-N 1 0 351.403 2.803 20 5 FFBDRO N=c1sc2c(n1-c1cc(Cl)nc3ccc([N+](=O)[O-])cc31)CC[NH2+]C2 ZINC001166860433 1030553364 /nfs/dbraw/zinc/55/33/64/1030553364.db2.gz QFEQCKFYCNNASB-UHFFFAOYSA-N 1 0 361.814 2.774 20 5 FFBDRO Cc1cc(Cl)c([N+](=O)[O-])c(-n2cc3c(cccc3N3CC[NH2+]CC3)n2)n1 ZINC001166992098 1030601790 /nfs/dbraw/zinc/60/17/90/1030601790.db2.gz WWMZAYCHFYRIIL-UHFFFAOYSA-N 1 0 372.816 2.700 20 5 FFBDRO CCc1ccc([C@@H](O)C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000843093370 1031180893 /nfs/dbraw/zinc/18/08/93/1031180893.db2.gz MKABYQZIVOQSSL-SFHVURJKSA-N 1 0 357.410 2.809 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(Cc2noc([C@@H]3C[NH2+]Cc4ccccc43)n2)c1 ZINC000843222778 1031253957 /nfs/dbraw/zinc/25/39/57/1031253957.db2.gz JTUYRCLAQAZDHK-MRXNPFEDSA-N 1 0 366.377 2.812 20 5 FFBDRO C[C@H]1C[N@H+](CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)[C@@H](C)CO1 ZINC001204428994 1031283879 /nfs/dbraw/zinc/28/38/79/1031283879.db2.gz ACHVDOPFYSLIFO-IRXDYDNUSA-N 1 0 361.486 2.959 20 5 FFBDRO O=C(NCC1([NH2+]CCCCC(F)(F)F)CCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001115530794 1031789039 /nfs/dbraw/zinc/78/90/39/1031789039.db2.gz RQRXERCVCPUXKD-CHWSQXEVSA-N 1 0 365.396 2.793 20 5 FFBDRO COc1cc(C[NH2+][C@H](C)c2ccc(N3CCNC3=O)cc2)ccc1[N+](=O)[O-] ZINC000829754402 1033320703 /nfs/dbraw/zinc/32/07/03/1033320703.db2.gz ZHPDUIYUUXLNHH-CYBMUJFWSA-N 1 0 370.409 2.984 20 5 FFBDRO C[NH+]1CCC2(CC[C@@H](COCc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)O2)CC1 ZINC001223486414 1033465305 /nfs/dbraw/zinc/46/53/05/1033465305.db2.gz UUUVWRBICNADKY-INIZCTEOSA-N 1 0 365.386 2.663 20 5 FFBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(I)nc1Cl ZINC001225461728 1034261691 /nfs/dbraw/zinc/26/16/91/1034261691.db2.gz KPPZRSUDNSIZOH-QMMMGPOBSA-N 1 0 355.627 2.813 20 5 FFBDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2Oc1ncc([N+](=O)[O-])cc1Br ZINC001226344563 1034639737 /nfs/dbraw/zinc/63/97/37/1034639737.db2.gz QOAXPUOHHUSXFQ-DDFAGTSDSA-N 1 0 356.220 2.861 20 5 FFBDRO Cc1c(C(=O)N[C@H]2CCC[N@@H+](C(C)C)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000832297055 1034709448 /nfs/dbraw/zinc/70/94/48/1034709448.db2.gz POFJLMHQVZDQRR-ZDUSSCGKSA-N 1 0 364.402 2.722 20 5 FFBDRO Cc1cc([N+](=O)[O-])cnc1OC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001226764013 1034825163 /nfs/dbraw/zinc/82/51/63/1034825163.db2.gz DLDFHQVQNRHBNJ-GOSISDBHSA-N 1 0 357.410 2.968 20 5 FFBDRO COCC(=O)NC1CC[NH+](Cc2ccc3ccc4cccnc4c3n2)CC1 ZINC001232222761 1035503464 /nfs/dbraw/zinc/50/34/64/1035503464.db2.gz YTKBHNQUEHJIBT-UHFFFAOYSA-N 1 0 364.449 2.510 20 5 FFBDRO C[C@@H](c1ccccn1)[N@@H+]1CCC[C@@H](Oc2ncc([N+](=O)[O-])c3nc[nH]c32)C1 ZINC001227692267 1035674598 /nfs/dbraw/zinc/67/45/98/1035674598.db2.gz VQNJGUXVZNIZBF-QWHCGFSZSA-N 1 0 368.397 2.866 20 5 FFBDRO COC(=O)c1cccc(O[C@@H]2CC[N@@H+]([C@H](C)c3ccccn3)C2)c1[N+](=O)[O-] ZINC001227896017 1035791674 /nfs/dbraw/zinc/79/16/74/1035791674.db2.gz DVALRZJQGJAYER-ZIAGYGMSSA-N 1 0 371.393 2.991 20 5 FFBDRO O=c1[nH]nc(O[C@H]2CC[N@H+](Cc3ccccc3)C2)c2cc([N+](=O)[O-])ccc12 ZINC001229362227 1036630996 /nfs/dbraw/zinc/63/09/96/1036630996.db2.gz RZMPDGZCSNYVQM-HNNXBMFYSA-N 1 0 366.377 2.897 20 5 FFBDRO CCC(C)(C)c1cc([N+](=O)[O-])c(OC[C@@H]2CN(C)CCO2)c([N+](=O)[O-])c1 ZINC001233528807 1036670938 /nfs/dbraw/zinc/67/09/38/1036670938.db2.gz OCXNOMCFJZVCBA-ZDUSSCGKSA-N 1 0 367.402 2.900 20 5 FFBDRO C[C@H](C[NH+](C)C)Oc1cccc(I)c1[N+](=O)[O-] ZINC001229660253 1036811937 /nfs/dbraw/zinc/81/19/37/1036811937.db2.gz JGEJPYLRZRHYRS-MRVPVSSYSA-N 1 0 350.156 2.528 20 5 FFBDRO CC(=O)Nc1ccc([N+](=O)[O-])cc1OC[C@H]1CCC2(CC[NH+](C)CC2)O1 ZINC001230247248 1037174985 /nfs/dbraw/zinc/17/49/85/1037174985.db2.gz IABJFCXMFHFVLV-OAHLLOKOSA-N 1 0 363.414 2.575 20 5 FFBDRO COc1cc(N2CCC([NH2+]Cc3c(C)nn(C)c3C)CC2)ccc1[N+](=O)[O-] ZINC001256082995 1038368416 /nfs/dbraw/zinc/36/84/16/1038368416.db2.gz MDHSTKRUVISSCP-UHFFFAOYSA-N 1 0 373.457 2.712 20 5 FFBDRO COc1cc(N2CCC([NH2+]Cc3cccnc3OC)CC2)ccc1[N+](=O)[O-] ZINC001256086006 1038370653 /nfs/dbraw/zinc/37/06/53/1038370653.db2.gz UPYBIBONCBUXSZ-UHFFFAOYSA-N 1 0 372.425 2.766 20 5 FFBDRO COc1cc(N2CCC([NH2+]Cc3cccc(CO)c3)CC2)ccc1[N+](=O)[O-] ZINC001256086925 1038371129 /nfs/dbraw/zinc/37/11/29/1038371129.db2.gz IPRUFPIYAYDTCU-UHFFFAOYSA-N 1 0 371.437 2.854 20 5 FFBDRO COc1cc(N2CCC([NH2+][C@H]3CC34CCOCC4)CC2)ccc1[N+](=O)[O-] ZINC001256088490 1038371789 /nfs/dbraw/zinc/37/17/89/1038371789.db2.gz VUHHRMPCLHGHQW-SFHVURJKSA-N 1 0 361.442 2.731 20 5 FFBDRO COc1cc(N2CCC([NH2+]C(C)(C)C(C)(C)O)CC2)ccc1[N+](=O)[O-] ZINC001256089475 1038373236 /nfs/dbraw/zinc/37/32/36/1038373236.db2.gz VSCUQNPTLBLGLH-UHFFFAOYSA-N 1 0 351.447 2.711 20 5 FFBDRO COc1cc(N2CCC([NH2+]Cc3ccnc(F)c3)CC2)ccc1[N+](=O)[O-] ZINC001256089820 1038375337 /nfs/dbraw/zinc/37/53/37/1038375337.db2.gz JVEWORIPFWZOFE-UHFFFAOYSA-N 1 0 360.389 2.896 20 5 FFBDRO COc1cc(N2CCC([N@@H+]3CCC[C@H](CO)CC3)CC2)ccc1[N+](=O)[O-] ZINC001256094253 1038378788 /nfs/dbraw/zinc/37/87/88/1038378788.db2.gz WKTZUANCYQFWIM-HNNXBMFYSA-N 1 0 363.458 2.667 20 5 FFBDRO COc1cc(N2CCC([N@@H+]3CCC[C@H]3CN(C)C)CC2)ccc1[N+](=O)[O-] ZINC001256099673 1038383711 /nfs/dbraw/zinc/38/37/11/1038383711.db2.gz VDOLAHGRSWZEKU-KRWDZBQOSA-N 1 0 362.474 2.598 20 5 FFBDRO COc1cc(N2CCC([N@@H+]3CCC[C@H](C(C)=O)C3)CC2)ccc1[N+](=O)[O-] ZINC001256101141 1038384650 /nfs/dbraw/zinc/38/46/50/1038384650.db2.gz ZGMIEJVEMNBOBP-HNNXBMFYSA-N 1 0 361.442 2.873 20 5 FFBDRO CCOc1cc(C(=O)N[C@@H]2CCCC[C@@H]2[NH+](C)C)c([N+](=O)[O-])cc1OC ZINC001251761599 1039292866 /nfs/dbraw/zinc/29/28/66/1039292866.db2.gz JFJRUBUQKNQPAJ-KGLIPLIRSA-N 1 0 365.430 2.605 20 5 FFBDRO COc1ncc(Nc2c(F)cccc2N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC001210140309 1039402695 /nfs/dbraw/zinc/40/26/95/1039402695.db2.gz PLYLJRCSRIOKFN-UHFFFAOYSA-N 1 0 361.377 2.633 20 5 FFBDRO CCC[C@@H]1C[NH2+]CCN1C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001246932571 1039538691 /nfs/dbraw/zinc/53/86/91/1039538691.db2.gz RKAIDOBFSPMSEC-CQSZACIVSA-N 1 0 368.428 2.916 20 5 FFBDRO C[C@H](c1nc(-c2ccc3c(n2)CC[NH2+]C3)no1)c1ccc([N+](=O)[O-])cc1 ZINC001247604188 1039827151 /nfs/dbraw/zinc/82/71/51/1039827151.db2.gz OZMQKPKLKYBMTG-NSHDSACASA-N 1 0 351.366 2.837 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])c(N2CC[NH+](C(C)(C)C)CC2)cc1Cl ZINC001253094245 1039973197 /nfs/dbraw/zinc/97/31/97/1039973197.db2.gz AMAPCZVMQOBGDC-UHFFFAOYSA-N 1 0 355.822 2.955 20 5 FFBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@H]2C[NH2+][C@H](c3ccccc3)C2)n1 ZINC001248286379 1040208217 /nfs/dbraw/zinc/20/82/17/1040208217.db2.gz ZRJUAALLDXWEFQ-YPMHNXCESA-N 1 0 355.329 2.997 20 5 FFBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCCC[C@@H]1[C@@H](C)C[NH+](C)C ZINC001213255344 1040380410 /nfs/dbraw/zinc/38/04/10/1040380410.db2.gz MSFAUTNSDDFTKE-DZGCQCFKSA-N 1 0 369.487 2.644 20 5 FFBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@H]2C[NH2+]C[C@@H]2c2ccccc2)n1 ZINC001249077292 1040571539 /nfs/dbraw/zinc/57/15/39/1040571539.db2.gz OIUMHTIYHJGWBQ-OLZOCXBDSA-N 1 0 355.329 2.650 20 5 FFBDRO [NH3+][C@H](Cc1nc(-c2ccc3nccnc3c2)no1)c1ccc([N+](=O)[O-])cc1 ZINC001249341908 1040692364 /nfs/dbraw/zinc/69/23/64/1040692364.db2.gz HJDQSXUFAJCIRK-CQSZACIVSA-N 1 0 362.349 2.831 20 5 FFBDRO COc1cncc(CC[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC001254467752 1040734917 /nfs/dbraw/zinc/73/49/17/1040734917.db2.gz FIIPTOCDFDNDIY-UHFFFAOYSA-N 1 0 356.426 2.800 20 5 FFBDRO CC(=O)N[C@H]1CC[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001254472752 1040739999 /nfs/dbraw/zinc/73/99/99/1040739999.db2.gz MIWHYGQPKAAALJ-WKILWMFISA-N 1 0 360.458 2.601 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CCN(C(=O)N2CCCC2)CC1 ZINC001254536215 1040786600 /nfs/dbraw/zinc/78/66/00/1040786600.db2.gz ORTXGHUXYVYBKI-HNNXBMFYSA-N 1 0 360.458 2.796 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCCCCN1C(=O)C=CC1=O ZINC001254537373 1040787959 /nfs/dbraw/zinc/78/79/59/1040787959.db2.gz DBCFQLCBDYTUHR-OAHLLOKOSA-N 1 0 359.426 2.601 20 5 FFBDRO COC(=O)c1ccc([C@H](CO)[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC001254546943 1040790216 /nfs/dbraw/zinc/79/02/16/1040790216.db2.gz ALYPGYCGXKATRL-DYVFJYSZSA-N 1 0 358.394 2.636 20 5 FFBDRO CCOC(=O)Cn1nc(C)c(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])c1C ZINC001254550428 1040791861 /nfs/dbraw/zinc/79/18/61/1040791861.db2.gz JQFAAEMQERZQPQ-CYBMUJFWSA-N 1 0 374.441 2.692 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CO)Cc1ccc(F)cc1F ZINC001254551147 1040793062 /nfs/dbraw/zinc/79/30/62/1040793062.db2.gz YZHSJQFEXJAPBN-MLGOLLRUSA-N 1 0 350.365 2.997 20 5 FFBDRO CCOC[C@@H]1C[N@@H+]([C@H](C)Cc2ccccc2[N+](=O)[O-])Cc2cn(C)nc21 ZINC001254563211 1040798870 /nfs/dbraw/zinc/79/88/70/1040798870.db2.gz XXFQMYIQXKAHJO-PBHICJAKSA-N 1 0 358.442 2.895 20 5 FFBDRO O=C1CC[C@H]([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)[C@H](c2ccccc2)N1 ZINC001254580329 1040811798 /nfs/dbraw/zinc/81/17/98/1040811798.db2.gz FEAYJPGIGPKKPA-QRFRQXIXSA-N 1 0 351.406 2.672 20 5 FFBDRO CCOC(=O)Cc1cccc(C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001254583727 1040816705 /nfs/dbraw/zinc/81/67/05/1040816705.db2.gz CXUGVVAYYHADFL-GOSISDBHSA-N 1 0 354.406 2.957 20 5 FFBDRO CC(C)[N@@H+]1CCOC[C@]2(CCCN([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)C1 ZINC001254592715 1040821363 /nfs/dbraw/zinc/82/13/63/1040821363.db2.gz GAANOPWFXBAFGJ-NHCUHLMSSA-N 1 0 373.497 2.885 20 5 FFBDRO O=C1N(CC2CC2)CC[C@@]12CCC[N@@H+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254599399 1040829488 /nfs/dbraw/zinc/82/94/88/1040829488.db2.gz YURVOZWMEHPHSZ-PZJWPPBQSA-N 1 0 369.465 2.787 20 5 FFBDRO O=C([C@@H]1CCC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1)N1CCCCC1 ZINC001254601385 1040832448 /nfs/dbraw/zinc/83/24/48/1040832448.db2.gz ZATBEAMGWYOION-VQIMIIECSA-N 1 0 357.454 2.787 20 5 FFBDRO CC[N@H+]([C@@H]1CCOC1)C1CCN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254603068 1040832556 /nfs/dbraw/zinc/83/25/56/1040832556.db2.gz LGPRKSNSKSWTQX-WOJBJXKFSA-N 1 0 359.470 2.637 20 5 FFBDRO COC(=O)c1ccc2c(c1)C[N@H+]([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)CC2 ZINC001254603012 1040832914 /nfs/dbraw/zinc/83/29/14/1040832914.db2.gz KEWJFWCNLPTEEC-LJQANCHMSA-N 1 0 352.390 2.907 20 5 FFBDRO Cc1cnc(O[C@H]2CCC[N@@H+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)nc1 ZINC001254605321 1040835056 /nfs/dbraw/zinc/83/50/56/1040835056.db2.gz BERONEIKSAGBBT-MSOLQXFVSA-N 1 0 354.410 2.704 20 5 FFBDRO C[C@@H]1C[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001254608281 1040837248 /nfs/dbraw/zinc/83/72/48/1040837248.db2.gz QDSOAFDLRODBEM-DQYPLSBCSA-N 1 0 361.442 2.907 20 5 FFBDRO Cc1ccc(OC[C@@H](O)C[NH2+]CCNc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC001262558241 1041719671 /nfs/dbraw/zinc/71/96/71/1041719671.db2.gz YZABINRMVCSUHN-SFHVURJKSA-N 1 0 359.426 2.653 20 5 FFBDRO Cc1cc(-c2nc(-c3ccc4c(n3)CC[NH2+]C4)no2)cc(C)c1[N+](=O)[O-] ZINC001215404012 1041770474 /nfs/dbraw/zinc/77/04/74/1041770474.db2.gz BYHNMYXABOIZRH-UHFFFAOYSA-N 1 0 351.366 2.969 20 5 FFBDRO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3c([N+](=O)[O-])cccc3C(F)(F)F)[C@H]2C1 ZINC001262826961 1041880700 /nfs/dbraw/zinc/88/07/00/1041880700.db2.gz UFBXPGHMMCGYMV-NHCYSSNCSA-N 1 0 357.332 2.684 20 5 FFBDRO O=[N+]([O-])c1cc(-c2nc(-c3ccc4c(n3)CC[NH2+]C4)no2)c(F)cc1F ZINC001215800055 1041887420 /nfs/dbraw/zinc/88/74/20/1041887420.db2.gz OAUHRXZSTSDRNT-UHFFFAOYSA-N 1 0 359.292 2.631 20 5 FFBDRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3csc([N+](=O)[O-])c3)n2C)C1 ZINC001262850200 1041900376 /nfs/dbraw/zinc/90/03/76/1041900376.db2.gz NCEKWBIGCMPRRF-GFCCVEGCSA-N 1 0 364.475 2.620 20 5 FFBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC001216480565 1042038313 /nfs/dbraw/zinc/03/83/13/1042038313.db2.gz QFPXMFJWJDVHJN-UHFFFAOYSA-N 1 0 361.446 2.639 20 5 FFBDRO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])Nc1cnc2c(c1)C[NH2+]CC2 ZINC001263104382 1042106131 /nfs/dbraw/zinc/10/61/31/1042106131.db2.gz FRZZJVPUIFKLGW-UHFFFAOYSA-N 1 0 360.801 2.860 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC001265557685 1042866127 /nfs/dbraw/zinc/86/61/27/1042866127.db2.gz XVXVSJPCYYFBNB-KBXCAEBGSA-N 1 0 368.437 2.939 20 5 FFBDRO CC[N@@H+]1CC[C@H]1CNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC001310506383 1043698785 /nfs/dbraw/zinc/69/87/85/1043698785.db2.gz CGRJJUPEKNIAFP-JTQLQIEISA-N 1 0 357.208 2.573 20 5 FFBDRO CC[N@@H+]1CCN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])[C@H](C)C1 ZINC001312381006 1044104228 /nfs/dbraw/zinc/10/42/28/1044104228.db2.gz NZOZKYOLHGELKF-GFCCVEGCSA-N 1 0 354.838 2.526 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)n1 ZINC001539277587 1070603713 /nfs/dbraw/zinc/60/37/13/1070603713.db2.gz DWQJPXUGKGGRGH-HNNXBMFYSA-N 1 0 360.439 2.927 20 5 FFBDRO Cc1cc(N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001319503948 1045176381 /nfs/dbraw/zinc/17/63/81/1045176381.db2.gz BAMCOCMZSBXSQV-YVEFUNNKSA-N 1 0 353.426 2.677 20 5 FFBDRO O=C(Nc1ccc([N+](=O)[O-])c(Br)c1)C12CCC[NH+]1CCC2 ZINC001320946679 1045499576 /nfs/dbraw/zinc/49/95/76/1045499576.db2.gz KBLWYHBRZGQIST-UHFFFAOYSA-N 1 0 354.204 2.924 20 5 FFBDRO Cc1cc([N+](=O)[O-])cnc1N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001323350289 1045556872 /nfs/dbraw/zinc/55/68/72/1045556872.db2.gz TWNWMRIUNARBNQ-UHFFFAOYSA-N 1 0 357.370 2.529 20 5 FFBDRO C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC001323757739 1045713430 /nfs/dbraw/zinc/71/34/30/1045713430.db2.gz VJAHGXDTBHQRSS-CABCVRRESA-N 1 0 354.838 2.920 20 5 FFBDRO COc1ccc(C[C@@H](C)[N@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC001322221605 1046001043 /nfs/dbraw/zinc/00/10/43/1046001043.db2.gz HJAFDULSYLSOLF-CRAIPNDOSA-N 1 0 374.437 2.906 20 5 FFBDRO CO[C@@]1(C)C[C@H]([NH2+]CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1(C)C ZINC001324502110 1046068671 /nfs/dbraw/zinc/06/86/71/1046068671.db2.gz GEBFGUZLXARVFD-BBRMVZONSA-N 1 0 355.822 2.980 20 5 FFBDRO Cn1ccnc1C(=O)c1ccc(N[C@H]2CCCC[C@@H]2[NH+](C)C)c([N+](=O)[O-])c1 ZINC001322680135 1046178237 /nfs/dbraw/zinc/17/82/37/1046178237.db2.gz FKSWBGSVHJCWAV-HOCLYGCPSA-N 1 0 371.441 2.844 20 5 FFBDRO C[NH+]1CCN(c2ccccc2C(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC001325993237 1046712350 /nfs/dbraw/zinc/71/23/50/1046712350.db2.gz YCKQTOMUSUHGIM-UHFFFAOYSA-N 1 0 366.421 2.550 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C1CCC2(CCOCC2)CC1 ZINC001326156074 1046788872 /nfs/dbraw/zinc/78/88/72/1046788872.db2.gz LYWQVVMAZBZUIP-INIZCTEOSA-N 1 0 364.442 2.664 20 5 FFBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)C[NH2+]CC2 ZINC001332137207 1048263000 /nfs/dbraw/zinc/26/30/00/1048263000.db2.gz PUXHIDGOJZVEHZ-UHFFFAOYSA-N 1 0 353.422 2.993 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC001290803575 1048399432 /nfs/dbraw/zinc/39/94/32/1048399432.db2.gz NGGMYPZUXPSCSG-INIZCTEOSA-N 1 0 354.410 2.693 20 5 FFBDRO O=[N+]([O-])c1ccccc1Cc1noc(C2(C(F)(F)F)CC[NH2+]CC2)n1 ZINC001332494321 1048419118 /nfs/dbraw/zinc/41/91/18/1048419118.db2.gz XTCWKWZTHQARIP-UHFFFAOYSA-N 1 0 356.304 2.752 20 5 FFBDRO C[C@@]1(CO)C[C@H](O)C[N@@H+]1Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001332718777 1048525845 /nfs/dbraw/zinc/52/58/45/1048525845.db2.gz USSKWYINLXSSGM-SJCJKPOMSA-N 1 0 366.801 2.826 20 5 FFBDRO C[NH+](C)CC(C)(C)C1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 ZINC001333285554 1048807072 /nfs/dbraw/zinc/80/70/72/1048807072.db2.gz PSUFXQMCBQJHIW-UHFFFAOYSA-N 1 0 366.437 2.756 20 5 FFBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)Cc2cccc(F)c2[N+](=O)[O-])C1 ZINC001540934017 1071034878 /nfs/dbraw/zinc/03/48/78/1071034878.db2.gz DJXHAEVWBHSHGC-ZIAGYGMSSA-N 1 0 351.422 2.761 20 5 FFBDRO COc1c(O)ccc(C[NH2+]C[C@@H]2CCN(c3ccccc3)C2)c1[N+](=O)[O-] ZINC001333658115 1049033765 /nfs/dbraw/zinc/03/37/65/1049033765.db2.gz MZCHCMKTJBWAES-AWEZNQCLSA-N 1 0 357.410 2.925 20 5 FFBDRO CC[N@@H+]1CCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)C1CC1 ZINC001296059326 1050017492 /nfs/dbraw/zinc/01/74/92/1050017492.db2.gz CHFNVKAPGGSXCX-QGZVFWFLSA-N 1 0 370.457 2.936 20 5 FFBDRO CC1CC[NH+](CCc2nnc(-c3cc4c(cc3[N+](=O)[O-])OCCO4)o2)CC1 ZINC001341571648 1050197998 /nfs/dbraw/zinc/19/79/98/1050197998.db2.gz WRGXBLUMJFLXNS-UHFFFAOYSA-N 1 0 374.397 2.690 20 5 FFBDRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H](C)[N+](=O)[O-])n2Cc2ccccc2)C[C@@H]1C ZINC001342144904 1050739325 /nfs/dbraw/zinc/73/93/25/1050739325.db2.gz OVQZCUWABBTDJB-JYJNAYRXSA-N 1 0 372.473 2.583 20 5 FFBDRO [NH3+][C@@H]1CN(C(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C[C@H]1c1ccccc1F ZINC001340482443 1050877436 /nfs/dbraw/zinc/87/74/36/1050877436.db2.gz FMQMSRHXFUMPLY-LSTDLKDCSA-N 1 0 369.396 2.791 20 5 FFBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CC2(C1)C[NH+](Cc1ccccc1)C2 ZINC001302378852 1051101499 /nfs/dbraw/zinc/10/14/99/1051101499.db2.gz BFJSFBGTOSHJHG-FLIBITNWSA-N 1 0 363.417 2.952 20 5 FFBDRO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC001302414766 1051111898 /nfs/dbraw/zinc/11/18/98/1051111898.db2.gz ZJAIKNVASHKBMN-UHFFFAOYSA-N 1 0 361.377 2.758 20 5 FFBDRO CC(C)(C)[NH+]1CCN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC001340765637 1051118954 /nfs/dbraw/zinc/11/89/54/1051118954.db2.gz FRLVIRMWWXRHIK-UHFFFAOYSA-N 1 0 354.838 2.603 20 5 FFBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC001342741913 1051358592 /nfs/dbraw/zinc/35/85/92/1051358592.db2.gz UYELWPRKEFTGCS-CQSZACIVSA-N 1 0 360.458 2.878 20 5 FFBDRO O=C(O[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1)[C@@H]1Cc2cccnc2C1 ZINC001345006774 1052194296 /nfs/dbraw/zinc/19/42/96/1052194296.db2.gz MKBZZWAWDKPJJP-AEFFLSMTSA-N 1 0 367.405 2.522 20 5 FFBDRO CC[C@@H](CO)[NH+]1CCN(c2c3cccc(Cl)c3ncc2[N+](=O)[O-])CC1 ZINC001306983542 1052231728 /nfs/dbraw/zinc/23/17/28/1052231728.db2.gz ZLEQPXPIGQYTFR-LBPRGKRZSA-N 1 0 364.833 2.689 20 5 FFBDRO Cc1cc(N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)c([N+](=O)[O-])cc1C(F)(F)F ZINC001307227609 1052272066 /nfs/dbraw/zinc/27/20/66/1052272066.db2.gz IVTJVYWUTSJWBV-KGLIPLIRSA-N 1 0 373.375 2.957 20 5 FFBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](C[C@H]3COC4(CCCCC4)O3)C2)nc1 ZINC001307544204 1052319812 /nfs/dbraw/zinc/31/98/12/1052319812.db2.gz DPRQZOCNYYDXKJ-HOCLYGCPSA-N 1 0 362.430 2.552 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1CCC[C@]12CCCO2 ZINC001308039935 1052390305 /nfs/dbraw/zinc/39/03/05/1052390305.db2.gz RVIDSOMYEKOUFS-AEFFLSMTSA-N 1 0 363.414 2.623 20 5 FFBDRO O=[N+]([O-])c1ccc(OCCC[NH2+][C@H](CO)c2cc(F)ccc2F)cc1 ZINC001308158685 1052420516 /nfs/dbraw/zinc/42/05/16/1052420516.db2.gz RCTUAYARRJUPPN-QGZVFWFLSA-N 1 0 352.337 2.965 20 5 FFBDRO CC[C@@H]1CCC[C@H]([NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001308265051 1052439260 /nfs/dbraw/zinc/43/92/60/1052439260.db2.gz XEJSLYVNJRQELZ-CABCVRRESA-N 1 0 369.487 2.822 20 5 FFBDRO COC(=O)[C@@H]1[C@@H](C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1(F)F ZINC001308774211 1052497958 /nfs/dbraw/zinc/49/79/58/1052497958.db2.gz QTDPQVVMCINCAI-CFVMTHIKSA-N 1 0 354.353 2.829 20 5 FFBDRO C[C@H](NCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCN1C ZINC001308949275 1052525055 /nfs/dbraw/zinc/52/50/55/1052525055.db2.gz XPOVVTKPVNKLNI-HZMBPMFUSA-N 1 0 361.273 2.626 20 5 FFBDRO O=[N+]([O-])c1cc(CNC[C@@H]2C[NH2+]CCC2(F)F)ccc1N1CCCCC1 ZINC000903957871 1052566083 /nfs/dbraw/zinc/56/60/83/1052566083.db2.gz TZIFSBSJWQAILQ-HNNXBMFYSA-N 1 0 368.428 2.920 20 5 FFBDRO CCc1ccc(S(=O)(=O)NCC[N@H+]2CCCC[C@H]2CC)cc1[N+](=O)[O-] ZINC001309175602 1052567385 /nfs/dbraw/zinc/56/73/85/1052567385.db2.gz VFWFFWNMAKUADF-OAHLLOKOSA-N 1 0 369.487 2.700 20 5 FFBDRO CCc1csc([C@H](C)[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])n1 ZINC001336034105 1053720031 /nfs/dbraw/zinc/72/00/31/1053720031.db2.gz DNZFGBOMECQTDN-AAEUAGOBSA-N 1 0 351.428 2.704 20 5 FFBDRO CC(C)[NH+]1CCC(CCNC(=O)CN(C)c2ccccc2[N+](=O)[O-])CC1 ZINC001543362647 1071459482 /nfs/dbraw/zinc/45/94/82/1071459482.db2.gz PJNNSDFLXNWLKI-UHFFFAOYSA-N 1 0 362.474 2.658 20 5 FFBDRO O=[N+]([O-])c1c2ccncc2ccc1N1CCC([NH2+]C2CCOCC2)CC1 ZINC001337269626 1054611551 /nfs/dbraw/zinc/61/15/51/1054611551.db2.gz SNIUOQOFUPFZPE-UHFFFAOYSA-N 1 0 356.426 2.880 20 5 FFBDRO C[C@H](CO)[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC001348442329 1054697092 /nfs/dbraw/zinc/69/70/92/1054697092.db2.gz MTLOFFSDRJTKNJ-OAHLLOKOSA-N 1 0 357.410 2.806 20 5 FFBDRO C[N@@H+]1C[C@@]23CN(C(=O)c4cc(F)c([N+](=O)[O-])cc4F)C[C@]2(C1)CCCC3 ZINC001337663516 1054929074 /nfs/dbraw/zinc/92/90/74/1054929074.db2.gz ZIZPRFISBOFULI-HDICACEKSA-N 1 0 365.380 2.821 20 5 FFBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)C3(F)CCCC3)c2)CC1 ZINC001337704995 1054959542 /nfs/dbraw/zinc/95/95/42/1054959542.db2.gz WPMPTQNPDMVMIN-UHFFFAOYSA-N 1 0 350.394 2.567 20 5 FFBDRO O=C(NC1CCN(c2cc[nH+]cc2)CC1)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC001337867164 1055071702 /nfs/dbraw/zinc/07/17/02/1055071702.db2.gz SRDKMEYLKUOEQS-UHFFFAOYSA-N 1 0 362.336 2.667 20 5 FFBDRO CCn1c([C@@H](C)[N+](=O)[O-])nnc1N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC001356350449 1055466731 /nfs/dbraw/zinc/46/67/31/1055466731.db2.gz BFNVHVUSRNNGTH-LSDHHAIUSA-N 1 0 358.446 2.519 20 5 FFBDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(Cl)cn1 ZINC001357127152 1055786873 /nfs/dbraw/zinc/78/68/73/1055786873.db2.gz SYMHWITXSBGEBA-DGCLKSJQSA-N 1 0 351.790 2.734 20 5 FFBDRO C[C@H](NC(=O)[C@@H]1C[NH2+]C[C@H]1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC001357184796 1055813654 /nfs/dbraw/zinc/81/36/54/1055813654.db2.gz XKWFVJZZEJHGOY-POZUXBRTSA-N 1 0 353.422 2.850 20 5 FFBDRO [NH3+][C@H](CCNC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC001357969078 1056082469 /nfs/dbraw/zinc/08/24/69/1056082469.db2.gz FFXFDELKOFRMPG-BHIYHBOVSA-N 1 0 353.422 2.775 20 5 FFBDRO CCn1c(-c2ccc([N+](=O)[O-])o2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001339467746 1056483416 /nfs/dbraw/zinc/48/34/16/1056483416.db2.gz QRPSXYHQRRMMCU-UHFFFAOYSA-N 1 0 374.445 2.921 20 5 FFBDRO C[C@@H](Nc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1)[C@@H]1CN(C)CCO1 ZINC000619527317 1056556600 /nfs/dbraw/zinc/55/66/00/1056556600.db2.gz HHABEHLAVPCCIL-WBMJQRKESA-N 1 0 360.389 2.927 20 5 FFBDRO Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)OCC[C@@H]2CC[N@@H+](C)C2)c1 ZINC000847819789 1056678154 /nfs/dbraw/zinc/67/81/54/1056678154.db2.gz SOEYBOJEGOZCAR-HNNXBMFYSA-N 1 0 372.425 2.647 20 5 FFBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC001444945404 1058348688 /nfs/dbraw/zinc/34/86/88/1058348688.db2.gz CTRORHYJMXABCE-KGLIPLIRSA-N 1 0 372.425 2.511 20 5 FFBDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2C)C1 ZINC001445448854 1058403828 /nfs/dbraw/zinc/40/38/28/1058403828.db2.gz CVIUGEYSEYOPTG-CQSZACIVSA-N 1 0 367.421 2.615 20 5 FFBDRO CCNc1ccc(C(=O)N2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC001518680414 1058459193 /nfs/dbraw/zinc/45/91/93/1058459193.db2.gz WTDZNHHWAUUNAV-XHSDSOJGSA-N 1 0 360.458 2.829 20 5 FFBDRO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)CCc1c(Cl)cccc1[N+](=O)[O-])C2 ZINC001354450715 1059024565 /nfs/dbraw/zinc/02/45/65/1059024565.db2.gz QYAZMDKQWNLHHH-CALCHBBNSA-N 1 0 351.834 2.639 20 5 FFBDRO CN(CC(C)(C)C[NH2+]Cc1cc(Cl)ccc1F)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001505811603 1059405673 /nfs/dbraw/zinc/40/56/73/1059405673.db2.gz NGUOZUBVZZQYOB-UKRRQHHQSA-N 1 0 371.840 2.719 20 5 FFBDRO O=[N+]([O-])c1ccccc1-c1cnn(CN2CCC[C@H]2C[NH+]2CCCC2)c1 ZINC000848478496 1060110560 /nfs/dbraw/zinc/11/05/60/1060110560.db2.gz INYMZVAJIRKSOE-KRWDZBQOSA-N 1 0 355.442 2.976 20 5 FFBDRO O=C1[C@H](c2ccc([N+](=O)[O-])cc2)CCN1C[N@@H+]1CCC[C@H]1C1CCOCC1 ZINC000848484341 1060123422 /nfs/dbraw/zinc/12/34/22/1060123422.db2.gz ZAQKVUIIKRBZNG-OALUTQOASA-N 1 0 373.453 2.759 20 5 FFBDRO O=C(N1CC[C@H](C[NH+]2CCCC2)C1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848583811 1060312656 /nfs/dbraw/zinc/31/26/56/1060312656.db2.gz HCDQETHECOYDCB-CYBMUJFWSA-N 1 0 369.368 2.511 20 5 FFBDRO O=C(NC1CC([NH+]2CCCCC2)C1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848589004 1060319405 /nfs/dbraw/zinc/31/94/05/1060319405.db2.gz BSCPGBHPNDXAPT-UHFFFAOYSA-N 1 0 369.368 2.700 20 5 FFBDRO Cc1cc(C(=O)N[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)ccc1[N+](=O)[O-] ZINC001355560522 1060360355 /nfs/dbraw/zinc/36/03/55/1060360355.db2.gz ZTCPUYMZGVFMHT-UZLBHIALSA-N 1 0 367.405 2.889 20 5 FFBDRO CC[NH+](CC)CCOCCNc1c2cccc(Cl)c2ncc1[N+](=O)[O-] ZINC001458302288 1060561258 /nfs/dbraw/zinc/56/12/58/1060561258.db2.gz GEHNZRVAKDPCHR-UHFFFAOYSA-N 1 0 366.849 2.989 20 5 FFBDRO Cc1cc(N[C@H]2C[C@H]([NH+](C)C)C2(C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001458449162 1060593590 /nfs/dbraw/zinc/59/35/90/1060593590.db2.gz CFMROGJPEHIIIG-HOTGVXAUSA-N 1 0 355.442 2.923 20 5 FFBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H]1c2ccccc2CC[C@H]1[NH+]1CCCC1 ZINC001526388666 1061108244 /nfs/dbraw/zinc/10/82/44/1061108244.db2.gz XTEHGMCSRBHJGL-IEBWSBKVSA-N 1 0 368.437 2.815 20 5 FFBDRO Cc1c(NC(=O)CC[N@H+]2CCC[C@H]2Cc2ccnn2C)cccc1[N+](=O)[O-] ZINC001460970288 1061171241 /nfs/dbraw/zinc/17/12/41/1061171241.db2.gz FNAKVWCKUVDXQH-INIZCTEOSA-N 1 0 371.441 2.672 20 5 FFBDRO Cc1c(C[NH2+]C[C@H](Cc2ccccc2Cl)C(N)=O)cccc1[N+](=O)[O-] ZINC001461400084 1061310120 /nfs/dbraw/zinc/31/01/20/1061310120.db2.gz QXHBFJGNTBNXPQ-HNNXBMFYSA-N 1 0 361.829 2.990 20 5 FFBDRO CC(C)[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC1CCC(F)(F)CC1 ZINC001493859293 1063239023 /nfs/dbraw/zinc/23/90/23/1063239023.db2.gz QHEZDGOJTJARQE-HUUCEWRRSA-N 1 0 361.433 2.694 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)n1 ZINC001441235308 1063411451 /nfs/dbraw/zinc/41/14/51/1063411451.db2.gz DLTUDTMWWQGYQA-UHFFFAOYSA-N 1 0 354.410 2.824 20 5 FFBDRO C[NH+](C)CCONC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC001468996699 1064073614 /nfs/dbraw/zinc/07/36/14/1064073614.db2.gz UEHMUCRKOZZEPD-UHFFFAOYSA-N 1 0 361.423 2.969 20 5 FFBDRO C[C@H](C(=O)NCc1cccc2c1CC[NH2+]C2)c1ccc([N+](=O)[O-])cc1F ZINC001575070329 1078102717 /nfs/dbraw/zinc/10/27/17/1078102717.db2.gz XYEUOGCQWRIALW-LBPRGKRZSA-N 1 0 357.385 2.800 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])o1)N1CCC[N@H+](Cc2ccccc2)CCOCC1 ZINC001472131881 1064945289 /nfs/dbraw/zinc/94/52/89/1064945289.db2.gz NRUBURSAVYBJMS-UHFFFAOYSA-N 1 0 373.409 2.553 20 5 FFBDRO CC(C)CCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H]([NH3+])C1 ZINC001575570767 1078153951 /nfs/dbraw/zinc/15/39/51/1078153951.db2.gz MUPNJTBZVLTHIQ-OAHLLOKOSA-N 1 0 358.446 2.827 20 5 FFBDRO CN(CCC[NH+]1CCCC1)c1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-] ZINC001472768684 1065142882 /nfs/dbraw/zinc/14/28/82/1065142882.db2.gz SHIOFDBHLHNZRL-UHFFFAOYSA-N 1 0 359.386 2.973 20 5 FFBDRO C[NH+](C)CCn1cc(Nc2c3cccc(Cl)c3ncc2[N+](=O)[O-])cn1 ZINC001472816269 1065150255 /nfs/dbraw/zinc/15/02/55/1065150255.db2.gz AKBCBCMVLUNHMP-UHFFFAOYSA-N 1 0 360.805 2.720 20 5 FFBDRO COC(=O)c1cc(C)nc(N2CC[N@H+](C3CCCC3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC001472878164 1065165968 /nfs/dbraw/zinc/16/59/68/1065165968.db2.gz JQUXPCIPLHOEPH-ZDUSSCGKSA-N 1 0 362.430 2.538 20 5 FFBDRO COc1ccc2c(c1)C[C@@H](C[NH+]1CCN(c3cccc([N+](=O)[O-])c3)CC1)O2 ZINC001473105467 1065200847 /nfs/dbraw/zinc/20/08/47/1065200847.db2.gz KXDCUBQRBXDEDJ-IBGZPJMESA-N 1 0 369.421 2.729 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCn1c(=O)[nH]c2ccccc21 ZINC001474040516 1065445315 /nfs/dbraw/zinc/44/53/15/1065445315.db2.gz HOYZKWULUQYSFI-UHFFFAOYSA-N 1 0 356.382 2.839 20 5 FFBDRO Cc1c(OS(=O)(=O)c2cccc3c2CCN(C)C3)cccc1[N+](=O)[O-] ZINC001474856134 1065627882 /nfs/dbraw/zinc/62/78/82/1065627882.db2.gz JPLNGGMSCKREJB-UHFFFAOYSA-N 1 0 362.407 2.659 20 5 FFBDRO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC001576469355 1078231097 /nfs/dbraw/zinc/23/10/97/1078231097.db2.gz MCGYTIUETAUVCU-QGZVFWFLSA-N 1 0 356.426 2.926 20 5 FFBDRO C[C@@H]1CC[C@H](C[NH3+])N(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])[C@@H]1C ZINC001576649908 1078256781 /nfs/dbraw/zinc/25/67/81/1078256781.db2.gz VEVACAJGKZMHSA-CKYFFXLPSA-N 1 0 357.813 2.904 20 5 FFBDRO CCC1(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC([NH3+])CC2)CC1 ZINC001577221119 1078318690 /nfs/dbraw/zinc/31/86/90/1078318690.db2.gz WGFVRQWJFUFXRP-UHFFFAOYSA-N 1 0 370.457 2.971 20 5 FFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NCC[C@H]([NH3+])Cc1ccccc1 ZINC001578194703 1078450491 /nfs/dbraw/zinc/45/04/91/1078450491.db2.gz VLPPQJMSXRVJHB-HNNXBMFYSA-N 1 0 357.410 2.683 20 5 FFBDRO CNC(=O)c1ccc(N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)c([N+](=O)[O-])c1 ZINC001578563482 1078490625 /nfs/dbraw/zinc/49/06/25/1078490625.db2.gz WCMILBJRCUVUFY-NVXWUHKLSA-N 1 0 372.400 2.651 20 5 FFBDRO C[NH2+][C@@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2[C@@H]2C[C@H]2C)C1 ZINC001578596916 1078497631 /nfs/dbraw/zinc/49/76/31/1078497631.db2.gz SJVATQVDJCFDQP-XNRPHZJLSA-N 1 0 356.430 2.622 20 5 FFBDRO C[NH2+]C[C@@H](C)Cn1c(C(C)C)nnc1N(C)CCc1ccccc1[N+](=O)[O-] ZINC001578629500 1078505934 /nfs/dbraw/zinc/50/59/34/1078505934.db2.gz NFFULNRWIMZOOM-OAHLLOKOSA-N 1 0 374.489 2.844 20 5 FFBDRO COc1cccc([C@H]([NH3+])C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)c1 ZINC001579262507 1078604500 /nfs/dbraw/zinc/60/45/00/1078604500.db2.gz BVCBJBNADYKHTG-SFHVURJKSA-N 1 0 357.410 2.742 20 5 FFBDRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)c1cccc([N+](=O)[O-])c1Br ZINC001580261743 1078777327 /nfs/dbraw/zinc/77/73/27/1078777327.db2.gz IWGSBXVHKOLOHJ-KOLCDFICSA-N 1 0 356.220 2.605 20 5 FFBDRO [NH3+][C@@H](Cc1ccccc1)C(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001580366035 1078792190 /nfs/dbraw/zinc/79/21/90/1078792190.db2.gz BBVFKMJJUXAVFC-HKUYNNGSSA-N 1 0 353.422 2.871 20 5 FFBDRO O=C(N[C@]12CCC[C@H]1[NH2+]CC2)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001580599047 1078831755 /nfs/dbraw/zinc/83/17/55/1078831755.db2.gz OGDYOWYWDYHJFD-BEFAXECRSA-N 1 0 352.394 2.671 20 5 FFBDRO O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001580745744 1078853629 /nfs/dbraw/zinc/85/36/29/1078853629.db2.gz WNXOOAPJWYGQET-YSTOQKLRSA-N 1 0 365.433 2.960 20 5 FFBDRO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc21)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001580810171 1078868153 /nfs/dbraw/zinc/86/81/53/1078868153.db2.gz KKWIQKGDNCSOPG-KGLIPLIRSA-N 1 0 356.426 2.928 20 5 FFBDRO C[C@@H](OC(=O)c1ccnc(OCC[NH+](C)C)c1)c1ccccc1[N+](=O)[O-] ZINC001583242996 1079183337 /nfs/dbraw/zinc/18/33/37/1079183337.db2.gz UDZOWRRGZSGCFB-CYBMUJFWSA-N 1 0 359.382 2.848 20 5 FFBDRO CCOc1cc(NC(=O)N2C[C@@H](SC)[C@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC001563011513 1075096434 /nfs/dbraw/zinc/09/64/34/1075096434.db2.gz FRIVKVUUNWZTAX-UKRRQHHQSA-N 1 0 368.459 2.503 20 5 FFBDRO COc1ccc(C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C(C)C)cc1[N+](=O)[O-] ZINC001558767941 1076072669 /nfs/dbraw/zinc/07/26/69/1076072669.db2.gz RPIAHDRWJNZHBW-JKSUJKDBSA-N 1 0 361.442 2.938 20 5 FFBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@H](O)COc1ccc2cc[nH]c2c1 ZINC001559831625 1076195085 /nfs/dbraw/zinc/19/50/85/1076195085.db2.gz YVNWWWCICYKTHF-KRWDZBQOSA-N 1 0 369.421 2.990 20 5 FFBDRO CCOC(=O)c1c[nH]nc1[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC001560034811 1076214948 /nfs/dbraw/zinc/21/49/48/1076214948.db2.gz DUDWVKYZRYCSQJ-CQSZACIVSA-N 1 0 358.398 2.793 20 5 FFBDRO COc1cncc(N2CC[NH+](CCCOc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC001560071851 1076221745 /nfs/dbraw/zinc/22/17/45/1076221745.db2.gz FPJQCKCNVJVDME-UHFFFAOYSA-N 1 0 372.425 2.590 20 5 FFBDRO COc1ccc(NC(=O)C[NH2+][C@@]2(C)CCOc3ccccc32)c([N+](=O)[O-])c1 ZINC001560168901 1076240701 /nfs/dbraw/zinc/24/07/01/1076240701.db2.gz VPGZOHIKNCIXLP-IBGZPJMESA-N 1 0 371.393 2.829 20 5 FFBDRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H]2CCOC23CCCC3)c([N+](=O)[O-])c1 ZINC001560208470 1076247597 /nfs/dbraw/zinc/24/75/97/1076247597.db2.gz GLKHAVZSROEXJO-MLGOLLRUSA-N 1 0 363.414 2.622 20 5 FFBDRO Cc1c(NC(=O)CC[N@@H+]2CCc3cc(O)ccc3C2)cccc1[N+](=O)[O-] ZINC001560240808 1076254807 /nfs/dbraw/zinc/25/48/07/1076254807.db2.gz VZEMXSOBLPETTQ-UHFFFAOYSA-N 1 0 355.394 2.996 20 5 FFBDRO Cc1ccc(C[NH2+]Cc2ccc(N(C)S(C)(=O)=O)cc2)cc1[N+](=O)[O-] ZINC001560313478 1076262976 /nfs/dbraw/zinc/26/29/76/1076262976.db2.gz BGMOEAQRYSAOKQ-UHFFFAOYSA-N 1 0 363.439 2.589 20 5 FFBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2cnc(-c3c(F)cccc3F)s2)c1 ZINC001560383076 1076269585 /nfs/dbraw/zinc/26/95/85/1076269585.db2.gz IRKLBKOBTZFKLW-UHFFFAOYSA-N 1 0 365.365 2.983 20 5 FFBDRO COc1cc(C[NH2+]Cc2c[nH]c(=O)c3ccccc23)c([N+](=O)[O-])cc1O ZINC001560593800 1076282437 /nfs/dbraw/zinc/28/24/37/1076282437.db2.gz OUPAEFFFAKQPCM-UHFFFAOYSA-N 1 0 355.350 2.853 20 5 FFBDRO CCOc1cc(N2CC[NH+](C[C@](C)(CC)OC)CC2)ccc1[N+](=O)[O-] ZINC001560801190 1076300990 /nfs/dbraw/zinc/30/09/90/1076300990.db2.gz HWHADTWPJCORFX-SFHVURJKSA-N 1 0 351.447 2.931 20 5 FFBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC001561850455 1076433653 /nfs/dbraw/zinc/43/36/53/1076433653.db2.gz WSSABWJZLBROKJ-UHFFFAOYSA-N 1 0 369.487 2.698 20 5 FFBDRO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)N1CC[NH+](C2CCC2)CC1 ZINC001565727467 1076758479 /nfs/dbraw/zinc/75/84/79/1076758479.db2.gz DIHCBTKCBQBZAR-UHFFFAOYSA-N 1 0 351.834 2.878 20 5 FFBDRO C[NH+](C)[C@@H]1C[C@H](NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C12CCC2 ZINC001585899134 1079511395 /nfs/dbraw/zinc/51/13/95/1079511395.db2.gz IJZKGJPFIAZEAF-DLBZAZTESA-N 1 0 369.425 2.588 20 5 FFBDRO C[C@@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC001586693108 1079669011 /nfs/dbraw/zinc/66/90/11/1079669011.db2.gz JQFJSSNLHZBXJG-OCCSQVGLSA-N 1 0 363.414 2.658 20 5 FFBDRO C[C@H](c1cccc(-c2nn[nH]n2)c1)[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC001590045881 1080972513 /nfs/dbraw/zinc/97/25/13/1080972513.db2.gz FNFGUTXEYIVOOM-CYBMUJFWSA-N 1 0 368.397 2.847 20 5 FFBDRO C[C@]1(c2ccccc2)CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC001590152954 1081053834 /nfs/dbraw/zinc/05/38/34/1081053834.db2.gz IFLDRTUVQVSYTG-IBGZPJMESA-N 1 0 364.409 2.939 20 5 FFBDRO Cc1noc(C)c1CO[C@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000368867765 512110003 /nfs/dbraw/zinc/11/00/03/512110003.db2.gz JWXPNZHHGRZFPS-KRWDZBQOSA-N 1 0 361.398 2.870 20 5 FFBDRO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])cc1 ZINC000273613352 255768638 /nfs/dbraw/zinc/76/86/38/255768638.db2.gz WSLQRXLGPFIPSZ-HNNXBMFYSA-N 1 0 362.451 2.898 20 5 FFBDRO CC[N@H+](C)C[C@H]1CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000093769974 250044574 /nfs/dbraw/zinc/04/45/74/250044574.db2.gz YVAVLNHUOHCSAY-OAHLLOKOSA-N 1 0 357.458 2.769 20 5 FFBDRO [NH3+]C1CCC(Nc2ccc(I)cc2[N+](=O)[O-])CC1 ZINC000097333905 250062900 /nfs/dbraw/zinc/06/29/00/250062900.db2.gz FLTYWKSTZDEQEH-UHFFFAOYSA-N 1 0 361.183 2.881 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc1SC ZINC000103084563 250134801 /nfs/dbraw/zinc/13/48/01/250134801.db2.gz RZRNYILAKDVBTP-GFCCVEGCSA-N 1 0 365.455 2.636 20 5 FFBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000103186625 250138811 /nfs/dbraw/zinc/13/88/11/250138811.db2.gz FUSOFNMPZNRAJP-LLVKDONJSA-N 1 0 353.444 2.539 20 5 FFBDRO CN(CC1CC[NH+](C)CC1)C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000103453150 250151494 /nfs/dbraw/zinc/15/14/94/250151494.db2.gz RXNFBFRIWGLUJG-UHFFFAOYSA-N 1 0 374.485 2.999 20 5 FFBDRO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000106786911 250289645 /nfs/dbraw/zinc/28/96/45/250289645.db2.gz VKUZMTKSZQSXQU-CQSZACIVSA-N 1 0 369.425 2.527 20 5 FFBDRO C[C@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)[C@@H]1COc2ccccc21 ZINC000162998094 251163916 /nfs/dbraw/zinc/16/39/16/251163916.db2.gz INEVIYKLOMUPFJ-DOPJRALCSA-N 1 0 367.405 2.854 20 5 FFBDRO COc1cc(C[NH2+][C@H](C)[C@H]2CCOC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000163002305 251164774 /nfs/dbraw/zinc/16/47/74/251164774.db2.gz VBCCNMTXCYCHQZ-MNOVXSKESA-N 1 0 360.357 2.762 20 5 FFBDRO C[C@H](CCNC(=O)c1c(N)cccc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000181150247 251248411 /nfs/dbraw/zinc/24/84/11/251248411.db2.gz WZVRVQGGFGACBF-CQSZACIVSA-N 1 0 356.426 2.817 20 5 FFBDRO O=C(CN1CC[C@H]([NH+]2CCCCC2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000264640846 251331332 /nfs/dbraw/zinc/33/13/32/251331332.db2.gz VRKJFQBDSPGTTB-AWEZNQCLSA-N 1 0 366.849 2.747 20 5 FFBDRO O=C(NCCc1ccccc1[N+](=O)[O-])NC1CC[NH+](C2CCCC2)CC1 ZINC000267411350 251348617 /nfs/dbraw/zinc/34/86/17/251348617.db2.gz YXYCQSVWEIMOED-UHFFFAOYSA-N 1 0 360.458 2.844 20 5 FFBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCC(CCC(N)=O)CC1 ZINC000271249303 251741207 /nfs/dbraw/zinc/74/12/07/251741207.db2.gz RIOGUFLMTNOCNX-GFCCVEGCSA-N 1 0 373.413 2.683 20 5 FFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](O)C1CCOCC1 ZINC000271430673 251791571 /nfs/dbraw/zinc/79/15/71/251791571.db2.gz BXLGIQUWBFVHJJ-HOCLYGCPSA-N 1 0 354.472 2.843 20 5 FFBDRO CCc1n[nH]c(C(=O)N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000272417426 252032439 /nfs/dbraw/zinc/03/24/39/252032439.db2.gz GSTKPRZBGBSCDU-DZGCQCFKSA-N 1 0 371.441 2.521 20 5 FFBDRO CCc1n[nH]c(C(=O)N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000272417431 252033580 /nfs/dbraw/zinc/03/35/80/252033580.db2.gz GSTKPRZBGBSCDU-HIFRSBDPSA-N 1 0 371.441 2.521 20 5 FFBDRO COc1cc(C[NH2+][C@@H](CCO)C(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000272514418 252056001 /nfs/dbraw/zinc/05/60/01/252056001.db2.gz XJSFYPBCIBTOII-LBPRGKRZSA-N 1 0 362.373 2.744 20 5 FFBDRO Cn1ccnc1[C@H](NC1CC[NH+](CC2CC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000272537751 252063330 /nfs/dbraw/zinc/06/33/30/252063330.db2.gz OHEOHSARTHXRBB-LJQANCHMSA-N 1 0 369.469 2.882 20 5 FFBDRO C[C@H](NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])C1=CC[N@H+](C)CC1 ZINC000272707803 252107492 /nfs/dbraw/zinc/10/74/92/252107492.db2.gz HAQDGCZGTKSPMD-LBPRGKRZSA-N 1 0 366.849 2.740 20 5 FFBDRO C[C@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])C1=CC[N@H+](C)CC1 ZINC000272752246 252121586 /nfs/dbraw/zinc/12/15/86/252121586.db2.gz FBSYNZPCNGNNRZ-JTQLQIEISA-N 1 0 368.231 2.738 20 5 FFBDRO C[C@@H](CN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)C[NH+]1CCCC1 ZINC000272576364 252072958 /nfs/dbraw/zinc/07/29/58/252072958.db2.gz XDSOHUJGQHEPIJ-YJBOKZPZSA-N 1 0 357.458 2.739 20 5 FFBDRO Cc1cc(N2CCN(c3ncccn3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272866747 252151449 /nfs/dbraw/zinc/15/14/49/252151449.db2.gz RUKXQUPNGQNLCI-UHFFFAOYSA-N 1 0 350.382 2.568 20 5 FFBDRO C[C@@H]([NH2+]C1CCN(S(=O)(=O)C(C)(C)C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000276850091 256136327 /nfs/dbraw/zinc/13/63/27/256136327.db2.gz DNEWZKWGGZABGC-CYBMUJFWSA-N 1 0 369.487 2.838 20 5 FFBDRO Cc1ccc(C)c(S(=O)(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000276806880 256132658 /nfs/dbraw/zinc/13/26/58/256132658.db2.gz LOIYEBQUUHPUFP-CQSZACIVSA-N 1 0 369.487 2.562 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000278234249 256290286 /nfs/dbraw/zinc/29/02/86/256290286.db2.gz VLJAJURKCCWOGA-CALCHBBNSA-N 1 0 374.485 2.534 20 5 FFBDRO C[C@@H]1C[N@H+](CCCNCc2cc([N+](=O)[O-])ccc2OC(F)F)CCCO1 ZINC000277983714 256263467 /nfs/dbraw/zinc/26/34/67/256263467.db2.gz UBQFEEOIVGIAGN-CYBMUJFWSA-N 1 0 373.400 2.787 20 5 FFBDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000278356952 256303536 /nfs/dbraw/zinc/30/35/36/256303536.db2.gz ARULQZLWYIDGCN-CYBMUJFWSA-N 1 0 353.850 2.933 20 5 FFBDRO CCOc1cc(CN2CC[N@@H+](C3CCOCC3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000278608624 256330477 /nfs/dbraw/zinc/33/04/77/256330477.db2.gz JAYITBBRXIRQJE-OAHLLOKOSA-N 1 0 363.458 2.679 20 5 FFBDRO COC[C@@H]([NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000278695094 256338841 /nfs/dbraw/zinc/33/88/41/256338841.db2.gz QJVCUALOQLNEGW-TZMCWYRMSA-N 1 0 359.220 2.641 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCc2ccc(C[NH+]3CCCC3)cc2)n1 ZINC000286038923 257017360 /nfs/dbraw/zinc/01/73/60/257017360.db2.gz GZWBYATXXQHJGM-UHFFFAOYSA-N 1 0 370.409 2.984 20 5 FFBDRO CNC(=O)c1ccc(N(C)CCC[N@H+](C)Cc2ccco2)c([N+](=O)[O-])c1 ZINC000286589685 257044265 /nfs/dbraw/zinc/04/42/65/257044265.db2.gz RSZQOHPKNDDGDY-UHFFFAOYSA-N 1 0 360.414 2.506 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H](CCO)c2ccc(Cl)cc2)c1 ZINC000286697284 257050380 /nfs/dbraw/zinc/05/03/80/257050380.db2.gz DOINYXRWCLQJFQ-IAGOWNOFSA-N 1 0 350.802 2.995 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)n1 ZINC000286857156 257058615 /nfs/dbraw/zinc/05/86/15/257058615.db2.gz MREJXVMGTLGMSI-QWHCGFSZSA-N 1 0 362.430 2.841 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000286980773 257065200 /nfs/dbraw/zinc/06/52/00/257065200.db2.gz PWIIVFYLYAYNQZ-QAPCUYQASA-N 1 0 360.458 2.790 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)cc1SC ZINC000289309970 257273226 /nfs/dbraw/zinc/27/32/26/257273226.db2.gz SYFYDACKXOAXQG-QGZVFWFLSA-N 1 0 365.455 2.541 20 5 FFBDRO COc1ccc(NC(=O)CC[N@@H+]2CCC(F)(F)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000289368238 257277224 /nfs/dbraw/zinc/27/72/24/257277224.db2.gz AZEOLWDTGFUMKQ-NSHDSACASA-N 1 0 357.357 2.909 20 5 FFBDRO Cc1cnn([C@H]2CC[N@H+](CCC(=O)Nc3cccc([N+](=O)[O-])c3C)C2)c1 ZINC000290053573 257313194 /nfs/dbraw/zinc/31/31/94/257313194.db2.gz XFUVCXKIRAKPLC-HNNXBMFYSA-N 1 0 357.414 2.684 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N3CC[C@H]4C[NH2+]C[C@@H]4C3)cc2[N+](=O)[O-])CC1 ZINC000290254774 257322397 /nfs/dbraw/zinc/32/23/97/257322397.db2.gz WVHSQSVTMQSNHG-DLBZAZTESA-N 1 0 372.469 2.513 20 5 FFBDRO O=C(NC[C@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1)C(F)(F)F ZINC000289557537 257287182 /nfs/dbraw/zinc/28/71/82/257287182.db2.gz UVJYOSIECOUMMU-CYBMUJFWSA-N 1 0 359.348 2.528 20 5 FFBDRO CC(C)S(=O)(=O)CC[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000290520170 257338206 /nfs/dbraw/zinc/33/82/06/257338206.db2.gz YXQDMBXEUVIRID-ZBFHGGJFSA-N 1 0 354.472 2.719 20 5 FFBDRO CC(C)[N@H+](C)Cc1ccccc1CNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290585766 257343952 /nfs/dbraw/zinc/34/39/52/257343952.db2.gz WPYNMRUFSUHAOP-UHFFFAOYSA-N 1 0 357.414 2.541 20 5 FFBDRO NC(=O)c1ccnc(Nc2ccc(CC[NH+]3CCCCC3)cc2)c1[N+](=O)[O-] ZINC000290493722 257335774 /nfs/dbraw/zinc/33/57/74/257335774.db2.gz CSABNJHRMMWEHW-UHFFFAOYSA-N 1 0 369.425 2.861 20 5 FFBDRO Cc1c(NC(=O)CC[N@H+]2CCC[C@](CO)(C(C)C)C2)cccc1[N+](=O)[O-] ZINC000293094477 257531537 /nfs/dbraw/zinc/53/15/37/257531537.db2.gz PSPCZOZMTFWXMN-IBGZPJMESA-N 1 0 363.458 2.962 20 5 FFBDRO Cc1cc(Cl)c(C(=O)NCCCC[N@@H+]2CCC[C@H]2CO)cc1[N+](=O)[O-] ZINC000295408324 257631196 /nfs/dbraw/zinc/63/11/96/257631196.db2.gz CZNJHDBNQLXRHX-ZDUSSCGKSA-N 1 0 369.849 2.523 20 5 FFBDRO COCCOC1(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)CCOCC1 ZINC000296391933 257701724 /nfs/dbraw/zinc/70/17/24/257701724.db2.gz KCTCZOOMMXBUAB-HNNXBMFYSA-N 1 0 352.431 2.766 20 5 FFBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000301109713 258026399 /nfs/dbraw/zinc/02/63/99/258026399.db2.gz SCVHEPWTLFHNJR-MJBXVCDLSA-N 1 0 369.487 2.777 20 5 FFBDRO C[N@@H+]1CCCC[C@H]1CN1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000301186431 258032733 /nfs/dbraw/zinc/03/27/33/258032733.db2.gz KGFSBBWGEWGJNR-SFHVURJKSA-N 1 0 369.469 2.749 20 5 FFBDRO Cc1cc([N+](=O)[O-])cnc1NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000301202675 258034021 /nfs/dbraw/zinc/03/40/21/258034021.db2.gz QYXPWIDMIDXNRO-UHFFFAOYSA-N 1 0 355.442 2.922 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](Cc1cccnc1)C1CC1 ZINC000299694244 258017221 /nfs/dbraw/zinc/01/72/21/258017221.db2.gz ODPNYFXTJWRBBU-UHFFFAOYSA-N 1 0 370.409 2.992 20 5 FFBDRO NC(=O)c1cc([N+](=O)[O-])cnc1NCC1([NH+]2CCCCC2)CCCCC1 ZINC000301061477 258022196 /nfs/dbraw/zinc/02/21/96/258022196.db2.gz BIZPHIHHDSNYFJ-UHFFFAOYSA-N 1 0 361.446 2.689 20 5 FFBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000302177207 258093124 /nfs/dbraw/zinc/09/31/24/258093124.db2.gz OVEAETJKHVPBBF-AUUYWEPGSA-N 1 0 368.437 2.887 20 5 FFBDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000302494060 258104220 /nfs/dbraw/zinc/10/42/20/258104220.db2.gz ATKVBVCDEFMLGP-OAHLLOKOSA-N 1 0 370.453 2.938 20 5 FFBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 ZINC000301703483 258063902 /nfs/dbraw/zinc/06/39/02/258063902.db2.gz UPZPCMZDRQYBTD-CHWSQXEVSA-N 1 0 362.430 2.706 20 5 FFBDRO CNC(=O)c1ccc(N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000301826374 258069638 /nfs/dbraw/zinc/06/96/38/258069638.db2.gz JEEOUYIKFUQJAT-SJLPKXTDSA-N 1 0 372.400 2.951 20 5 FFBDRO O=[N+]([O-])c1cnc2ccc(NC3CC[NH+](Cc4ccccc4)CC3)nn21 ZINC000301831497 258069920 /nfs/dbraw/zinc/06/99/20/258069920.db2.gz ILOXONNFRXWASF-UHFFFAOYSA-N 1 0 352.398 2.714 20 5 FFBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)Nc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000301878827 258072790 /nfs/dbraw/zinc/07/27/90/258072790.db2.gz JKUUSJZCPJZXSP-QWHCGFSZSA-N 1 0 355.460 2.531 20 5 FFBDRO COc1cc(CN2CCN(c3sccc3[N+](=O)[O-])CC2)cc(OC)c1 ZINC000302019747 258082122 /nfs/dbraw/zinc/08/21/22/258082122.db2.gz NHQQGZRIPVEMHI-UHFFFAOYSA-N 1 0 363.439 2.996 20 5 FFBDRO CC(C)c1ccc(C[NH2+][C@@H]2CCCC[C@H]2NS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000331023910 258175410 /nfs/dbraw/zinc/17/54/10/258175410.db2.gz RWHWGGNYOGLGIZ-HZPDHXFCSA-N 1 0 369.487 2.668 20 5 FFBDRO CC(C)c1n[nH]c(C(=O)NCC2([NH+](C)C)CCCCCC2)c1[N+](=O)[O-] ZINC000331482256 258187959 /nfs/dbraw/zinc/18/79/59/258187959.db2.gz LWZXXVRQHGGPST-UHFFFAOYSA-N 1 0 351.451 2.826 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)NC[C@H]3CC[N@H+](C)C3)cc2[N+](=O)[O-])C1 ZINC000331902195 258205212 /nfs/dbraw/zinc/20/52/12/258205212.db2.gz WFDDCNBKCWLWLC-HUUCEWRRSA-N 1 0 360.458 2.513 20 5 FFBDRO C[C@H]1CCCN(c2ccc(C(=O)NC[C@H]3CC[N@H+](C)C3)cc2[N+](=O)[O-])C1 ZINC000331902198 258205254 /nfs/dbraw/zinc/20/52/54/258205254.db2.gz WFDDCNBKCWLWLC-LSDHHAIUSA-N 1 0 360.458 2.513 20 5 FFBDRO Cc1c(NC(=O)CCN2C[C@@H]3CCCC[N@H+]3C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000332008721 258209991 /nfs/dbraw/zinc/20/99/91/258209991.db2.gz JSUQEZANNSMVID-HOCLYGCPSA-N 1 0 360.458 2.790 20 5 FFBDRO CS[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1[NH+]1CCCC1 ZINC000332071465 258212762 /nfs/dbraw/zinc/21/27/62/258212762.db2.gz CIQDZRTUEVQHLS-LSDHHAIUSA-N 1 0 369.874 2.900 20 5 FFBDRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000332263454 258222218 /nfs/dbraw/zinc/22/22/18/258222218.db2.gz DWEFOFFVOWHERZ-RYUDHWBXSA-N 1 0 355.341 2.553 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N3CC[C@H]([NH+](C)C)C3)cc2[N+](=O)[O-])C1 ZINC000332431011 258230325 /nfs/dbraw/zinc/23/03/25/258230325.db2.gz WSEFSLSJHUGMPS-ZBFHGGJFSA-N 1 0 360.458 2.607 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N3CC[C@H](C[NH+](C)C)C3)cc2[N+](=O)[O-])C1 ZINC000332438447 258230720 /nfs/dbraw/zinc/23/07/20/258230720.db2.gz ZHVVDDQMRRVNMN-HZPDHXFCSA-N 1 0 374.485 2.855 20 5 FFBDRO Cc1ccc(NC(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)cc1[N+](=O)[O-] ZINC000332519504 258233434 /nfs/dbraw/zinc/23/34/34/258233434.db2.gz BQIZTQVIVDDTLG-NVXWUHKLSA-N 1 0 362.430 2.653 20 5 FFBDRO Cn1cc(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c(C(F)(F)F)n1 ZINC000331687428 258196445 /nfs/dbraw/zinc/19/64/45/258196445.db2.gz XUSOVZSJPYUTOF-VXGBXAGGSA-N 1 0 372.351 2.817 20 5 FFBDRO Cc1noc([C@@H]2CCC[N@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)n1 ZINC000052862430 506268626 /nfs/dbraw/zinc/26/86/26/506268626.db2.gz KXIHUJZNKMGKKU-CQSZACIVSA-N 1 0 373.413 2.803 20 5 FFBDRO O=C(NC1CC[NH+](C2CC2)CC1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000032923827 506313262 /nfs/dbraw/zinc/31/32/62/506313262.db2.gz ZXBLISYIFOXTHJ-UHFFFAOYSA-N 1 0 358.442 2.552 20 5 FFBDRO CC1CC[NH+](CCCNC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC1 ZINC000033222160 506347783 /nfs/dbraw/zinc/34/77/83/506347783.db2.gz ZQPZPSBOJUNENC-UHFFFAOYSA-N 1 0 371.441 2.632 20 5 FFBDRO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CC[NH+]2CCC1CC2 ZINC000375159747 512189274 /nfs/dbraw/zinc/18/92/74/512189274.db2.gz OAVTWBZTYWUELH-UHFFFAOYSA-N 1 0 372.347 2.603 20 5 FFBDRO Cn1cc(C[N@@H+]2CC[C@@]3(C2)CCCOC3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000375303298 512258083 /nfs/dbraw/zinc/25/80/83/512258083.db2.gz NTUZFFYZUPKKMK-LJQANCHMSA-N 1 0 356.426 2.998 20 5 FFBDRO C[NH+](C)[C@@H](CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)Cc1ccccc1 ZINC000041799133 506552962 /nfs/dbraw/zinc/55/29/62/506552962.db2.gz CUFYALLRQIOBRH-MRXNPFEDSA-N 1 0 366.421 2.979 20 5 FFBDRO C[NH+](C)Cc1ccc(CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000054645433 506593977 /nfs/dbraw/zinc/59/39/77/506593977.db2.gz AFVYNJPLYPOGRA-UHFFFAOYSA-N 1 0 356.426 2.698 20 5 FFBDRO O=C(NCc1ccccc1[N+](=O)[O-])N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000043238267 506719345 /nfs/dbraw/zinc/71/93/45/506719345.db2.gz DOQOCNSGEDLCEV-KRWDZBQOSA-N 1 0 354.410 2.669 20 5 FFBDRO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)NC(=O)NCc1ccccc1 ZINC000056196650 506960284 /nfs/dbraw/zinc/96/02/84/506960284.db2.gz BVRDQGONCLVFIC-KBPBESRZSA-N 1 0 370.409 2.660 20 5 FFBDRO O=C1[C@@H]([NH2+][C@H]2CCCC23CCOCC3)CCN1c1cccc([N+](=O)[O-])c1 ZINC000367050719 512314387 /nfs/dbraw/zinc/31/43/87/512314387.db2.gz RSRIANKFTMKEBH-IRXDYDNUSA-N 1 0 359.426 2.639 20 5 FFBDRO C[C@@H]1CCCC[N@@H+]1CCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000017281876 507118961 /nfs/dbraw/zinc/11/89/61/507118961.db2.gz NVTANQCKHXPNMZ-CYBMUJFWSA-N 1 0 355.460 2.675 20 5 FFBDRO COc1cccc([C@H](CNC(=O)c2cccc(C)c2[N+](=O)[O-])[NH+](C)C)c1 ZINC000057288623 507230137 /nfs/dbraw/zinc/23/01/37/507230137.db2.gz NYAJZVSEOIOUHO-KRWDZBQOSA-N 1 0 357.410 2.945 20 5 FFBDRO COc1ccc([C@@H](C)[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1F ZINC000024102448 507392970 /nfs/dbraw/zinc/39/29/70/507392970.db2.gz ZCPMAWFGMNPGIO-IUODEOHRSA-N 1 0 364.373 2.833 20 5 FFBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000069784445 507559161 /nfs/dbraw/zinc/55/91/61/507559161.db2.gz BCZHACHWZNRALB-ZDUSSCGKSA-N 1 0 363.439 2.696 20 5 FFBDRO Cc1cc(NCCCC[NH+]2CCOCC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000060859471 507582633 /nfs/dbraw/zinc/58/26/33/507582633.db2.gz XPHKBKTUZIUQRZ-UHFFFAOYSA-N 1 0 371.441 2.885 20 5 FFBDRO Cc1ccc(S(=O)(=O)NCC2([NH+](C)C)CCCCCC2)cc1[N+](=O)[O-] ZINC000026956787 507623541 /nfs/dbraw/zinc/62/35/41/507623541.db2.gz XYMQSOMNTNKTLA-UHFFFAOYSA-N 1 0 369.487 2.836 20 5 FFBDRO CCc1ccc([C@H](CNC(=O)COc2ccc([N+](=O)[O-])cc2)[NH+](C)C)cc1 ZINC000027596132 507669523 /nfs/dbraw/zinc/66/95/23/507669523.db2.gz HSEPKIYASRZJIK-IBGZPJMESA-N 1 0 371.437 2.955 20 5 FFBDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000063645636 507754568 /nfs/dbraw/zinc/75/45/68/507754568.db2.gz CPJFMVVEMDSRLV-AWEZNQCLSA-N 1 0 367.421 2.884 20 5 FFBDRO O=C(NCCC[NH+]1CCCC1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000051468267 507771448 /nfs/dbraw/zinc/77/14/48/507771448.db2.gz DBHGSVZZHXNNCB-UHFFFAOYSA-N 1 0 360.439 2.934 20 5 FFBDRO CCC[NH+]1CCC(N(C)C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC1 ZINC000064310097 507789623 /nfs/dbraw/zinc/78/96/23/507789623.db2.gz ABCMZKJDAOUVGY-UHFFFAOYSA-N 1 0 371.441 2.727 20 5 FFBDRO O=C(COc1cccc([N+](=O)[O-])c1)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000031542251 507820076 /nfs/dbraw/zinc/82/00/76/507820076.db2.gz URTDOHVDQCEZLG-KRWDZBQOSA-N 1 0 369.421 2.754 20 5 FFBDRO C[NH+](C)CCCOc1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 ZINC000107195159 507837449 /nfs/dbraw/zinc/83/74/49/507837449.db2.gz YUJHICVPGNGFEQ-UHFFFAOYSA-N 1 0 373.409 2.943 20 5 FFBDRO COc1ccc(C(=O)NCC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000089514281 507844491 /nfs/dbraw/zinc/84/44/91/507844491.db2.gz HNWQYOYHNZFPED-CQSZACIVSA-N 1 0 357.410 2.992 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CC[C@@H](C[NH+]3CCOCC3)C2)c(C(F)(F)F)c1 ZINC000078404624 507868404 /nfs/dbraw/zinc/86/84/04/507868404.db2.gz PXSWJPXCOHBIMG-LBPRGKRZSA-N 1 0 359.348 2.772 20 5 FFBDRO CCCNC(=O)[C@@H]1CCC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000089891304 507879474 /nfs/dbraw/zinc/87/94/74/507879474.db2.gz VRXFGACAGNEZGV-OAHLLOKOSA-N 1 0 372.425 2.988 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2nc(CN3CCN(c4cc[nH+]cc4)CC3)co2)cc1 ZINC000089909673 507882325 /nfs/dbraw/zinc/88/23/25/507882325.db2.gz PYNRQZNAIGZSRJ-UHFFFAOYSA-N 1 0 365.393 2.967 20 5 FFBDRO Cn1ccnc1C[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000090004486 507900259 /nfs/dbraw/zinc/90/02/59/507900259.db2.gz RQFILFRXCUVBEG-AWEZNQCLSA-N 1 0 372.425 2.650 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@H]3CCOC3)CC2)nc1-c1ccccc1 ZINC000090107307 507908776 /nfs/dbraw/zinc/90/87/76/507908776.db2.gz KZVCNPOCUXNKIF-MRXNPFEDSA-N 1 0 368.437 2.815 20 5 FFBDRO C[NH+](C)[C@@H](CNC(=O)NCCc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000073491540 507925062 /nfs/dbraw/zinc/92/50/62/507925062.db2.gz VUNVEQRQPRUSFD-GOSISDBHSA-N 1 0 370.453 2.609 20 5 FFBDRO C[C@H](c1ccncc1)[N@H+](C)CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000091990419 508031480 /nfs/dbraw/zinc/03/14/80/508031480.db2.gz QYAXJHLXWCWFBF-CYBMUJFWSA-N 1 0 356.382 2.981 20 5 FFBDRO CN(CC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)c1ccccc1[N+](=O)[O-] ZINC000080329614 508066106 /nfs/dbraw/zinc/06/61/06/508066106.db2.gz ZKTQGZYJLLREID-MRXNPFEDSA-N 1 0 350.463 2.514 20 5 FFBDRO Cc1nn(C)c(C(=O)Nc2cccc3c2C[N@H+](CC(C)C)C3)c1[N+](=O)[O-] ZINC000092406533 508068791 /nfs/dbraw/zinc/06/87/91/508068791.db2.gz CAWALWNKAVCVIB-UHFFFAOYSA-N 1 0 357.414 2.861 20 5 FFBDRO C[NH+](C)CCCOc1cccc(NC(=O)CNc2ccccc2[N+](=O)[O-])c1 ZINC000111108026 508071539 /nfs/dbraw/zinc/07/15/39/508071539.db2.gz VGTSPOFLAAWQDA-UHFFFAOYSA-N 1 0 372.425 2.976 20 5 FFBDRO COc1ccc(-c2ccc(C[NH+]3CCC(NC(C)=O)CC3)o2)c([N+](=O)[O-])c1 ZINC000092669783 508092663 /nfs/dbraw/zinc/09/26/63/508092663.db2.gz LYBBSSWFNKRPJT-UHFFFAOYSA-N 1 0 373.409 2.964 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000080959063 508117223 /nfs/dbraw/zinc/11/72/23/508117223.db2.gz MEHFGGDUIYGDQQ-CQSZACIVSA-N 1 0 357.414 2.835 20 5 FFBDRO CCc1nn(C)c(NCc2ccc(OCCC[NH+](C)C)cc2)c1[N+](=O)[O-] ZINC000094155337 508171320 /nfs/dbraw/zinc/17/13/20/508171320.db2.gz MBPPGGIATMLQFQ-UHFFFAOYSA-N 1 0 361.446 2.833 20 5 FFBDRO O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000081667766 508203751 /nfs/dbraw/zinc/20/37/51/508203751.db2.gz TUULJPNJQMESDD-UHFFFAOYSA-N 1 0 361.442 2.607 20 5 FFBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000097069064 508218237 /nfs/dbraw/zinc/21/82/37/508218237.db2.gz PLDIBCDITVDJJH-AWEZNQCLSA-N 1 0 371.441 2.600 20 5 FFBDRO CC[N@H+](C)CCNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000112926997 508234825 /nfs/dbraw/zinc/23/48/25/508234825.db2.gz WIAPAIVBUJATCC-UHFFFAOYSA-N 1 0 356.426 2.888 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CCSCCCO)cs2)c1 ZINC000113338225 508261361 /nfs/dbraw/zinc/26/13/61/508261361.db2.gz UTCZUOARKVCBCX-UHFFFAOYSA-N 1 0 353.469 2.924 20 5 FFBDRO O=[N+]([O-])c1cnn(CC[N@H+](Cc2ccccc2)C[C@@H](O)c2ccco2)c1 ZINC000084135373 508266861 /nfs/dbraw/zinc/26/68/61/508266861.db2.gz OMXZSIPASAAJBS-QGZVFWFLSA-N 1 0 356.382 2.620 20 5 FFBDRO COc1cc(CN2CC[C@H](C[NH+](C)C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000113512329 508270057 /nfs/dbraw/zinc/27/00/57/508270057.db2.gz CKYVEUBTIOMVCF-LLVKDONJSA-N 1 0 359.373 2.588 20 5 FFBDRO CC[C@@H](O)[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000114459512 508316741 /nfs/dbraw/zinc/31/67/41/508316741.db2.gz RCNQARJNFKIDOW-JKSUJKDBSA-N 1 0 365.430 2.557 20 5 FFBDRO COc1cc(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000114644111 508333614 /nfs/dbraw/zinc/33/36/14/508333614.db2.gz POJZPQKPMRASQY-KRWDZBQOSA-N 1 0 369.421 2.998 20 5 FFBDRO CS[C@H](CO)[C@H](C)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000152477588 508454498 /nfs/dbraw/zinc/45/44/98/508454498.db2.gz GUMVULVSKVDOGA-IINYFYTJSA-N 1 0 353.469 2.920 20 5 FFBDRO CS[C@@H](CO)[C@@H](C)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000152477843 508454588 /nfs/dbraw/zinc/45/45/88/508454588.db2.gz GUMVULVSKVDOGA-YGRLFVJLSA-N 1 0 353.469 2.920 20 5 FFBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000116045370 508465267 /nfs/dbraw/zinc/46/52/67/508465267.db2.gz MIMVFJUVGWWOQR-UHFFFAOYSA-N 1 0 357.414 2.724 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC([NH+]2CCCCC2)CC1 ZINC000116367118 508503695 /nfs/dbraw/zinc/50/36/95/508503695.db2.gz SYYCFYTWUKYGNO-UHFFFAOYSA-N 1 0 360.458 2.792 20 5 FFBDRO C[C@@H]([C@H]1Cc2ccccc2O1)[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000134247214 508513094 /nfs/dbraw/zinc/51/30/94/508513094.db2.gz IRJXCKHXGSZTJB-KPZWWZAWSA-N 1 0 355.394 2.518 20 5 FFBDRO COc1ccc(OCC[N@@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)c([N+](=O)[O-])c1 ZINC000122342604 508520191 /nfs/dbraw/zinc/52/01/91/508520191.db2.gz FLCKJRJFCIFRML-YOEHRIQHSA-N 1 0 360.414 2.762 20 5 FFBDRO CC(C)[NH+]1CCN(c2cccc(NC(=O)c3ccc([N+](=O)[O-])o3)c2)CC1 ZINC000122491977 508543058 /nfs/dbraw/zinc/54/30/58/508543058.db2.gz IZRIBDSWOWCKAP-UHFFFAOYSA-N 1 0 358.398 2.971 20 5 FFBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000157445999 508567082 /nfs/dbraw/zinc/56/70/82/508567082.db2.gz PPYPSXGUWVQNST-QGZVFWFLSA-N 1 0 360.458 2.797 20 5 FFBDRO CCOC[C@@H]1CCC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000117341906 508593784 /nfs/dbraw/zinc/59/37/84/508593784.db2.gz DKNYGRIUVMRTDD-CQSZACIVSA-N 1 0 363.414 2.641 20 5 FFBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000117336569 508593862 /nfs/dbraw/zinc/59/38/62/508593862.db2.gz XIWMMXWTHROFSC-HOCLYGCPSA-N 1 0 361.398 2.536 20 5 FFBDRO COc1cc(C[N@@H+]2CC[C@H](O)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000157687613 508598250 /nfs/dbraw/zinc/59/82/50/508598250.db2.gz WORNPQPKRAEYJI-KRWDZBQOSA-N 1 0 358.394 2.749 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H]1CSC ZINC000135425355 508602099 /nfs/dbraw/zinc/60/20/99/508602099.db2.gz QCSSURBOOQYKSN-ZDUSSCGKSA-N 1 0 353.444 2.759 20 5 FFBDRO O=[N+]([O-])c1cnn(CC[N@@H+](CCO)Cc2ccc(Cl)c(Cl)c2)c1 ZINC000158116469 508659288 /nfs/dbraw/zinc/65/92/88/508659288.db2.gz NEONUFSBZUANPN-UHFFFAOYSA-N 1 0 359.213 2.593 20 5 FFBDRO C[NH+](C)CCCOC1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000119033754 508710446 /nfs/dbraw/zinc/71/04/46/508710446.db2.gz LCMVJJCGHHYBAA-UHFFFAOYSA-N 1 0 369.849 2.821 20 5 FFBDRO O=C(NC1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1)c1ccccc1 ZINC000136896709 508722931 /nfs/dbraw/zinc/72/29/31/508722931.db2.gz ITXPLJOXAIRIOT-IBGZPJMESA-N 1 0 369.421 2.523 20 5 FFBDRO CC[N@@H+]1CC[C@H](CNC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)C1 ZINC000119097344 508724962 /nfs/dbraw/zinc/72/49/62/508724962.db2.gz OHXLOYAHYZXAAC-LLVKDONJSA-N 1 0 370.247 2.737 20 5 FFBDRO C[C@@H]1C[N@@H+](CCCCNC(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000119104815 508726747 /nfs/dbraw/zinc/72/67/47/508726747.db2.gz APHOHUOUVISWHA-BETUJISGSA-N 1 0 369.849 2.867 20 5 FFBDRO CCCN(CC[NH+](C)C)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000119163507 508739053 /nfs/dbraw/zinc/73/90/53/508739053.db2.gz BHRVZRZERCUHCC-UHFFFAOYSA-N 1 0 358.236 2.771 20 5 FFBDRO C[C@H]1C[C@H](NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)C[N@@H+]1C1CC1 ZINC000154241727 508744290 /nfs/dbraw/zinc/74/42/90/508744290.db2.gz IUVIJSUCHKKNRE-ZFWWWQNUSA-N 1 0 358.442 2.894 20 5 FFBDRO CC(C)C[NH+]1CCC(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000119192256 508744821 /nfs/dbraw/zinc/74/48/21/508744821.db2.gz UOJOXHLCFKAJGK-UHFFFAOYSA-N 1 0 358.442 2.855 20 5 FFBDRO CC(C)CO[C@H]1CC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000119503515 508808628 /nfs/dbraw/zinc/80/86/28/508808628.db2.gz RIKFIVOAFVTZQL-HNNXBMFYSA-N 1 0 363.414 2.640 20 5 FFBDRO CC(C)CO[C@@H]1CC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000119503362 508809326 /nfs/dbraw/zinc/80/93/26/508809326.db2.gz RIKFIVOAFVTZQL-OAHLLOKOSA-N 1 0 363.414 2.640 20 5 FFBDRO C[NH+](C)Cc1ccc(CNC(=O)Cc2ccc([N+](=O)[O-])cc2F)cc1F ZINC000154592617 508815706 /nfs/dbraw/zinc/81/57/06/508815706.db2.gz MSDUXPUCYLDUDA-UHFFFAOYSA-N 1 0 363.364 2.794 20 5 FFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000119701405 508846594 /nfs/dbraw/zinc/84/65/94/508846594.db2.gz OBVFGPVNMNDHLX-ACJLOTCBSA-N 1 0 357.385 2.984 20 5 FFBDRO O=C1c2ccccc2C(=O)N1CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130898106 508862587 /nfs/dbraw/zinc/86/25/87/508862587.db2.gz VROQIODEBQJTCC-UHFFFAOYSA-N 1 0 365.389 2.855 20 5 FFBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H]2CC(C)(C)OC2(C)C)c([N+](=O)[O-])c1 ZINC000119803766 508866400 /nfs/dbraw/zinc/86/64/00/508866400.db2.gz CDYLQKQDZNJBIZ-NHYWBVRUSA-N 1 0 365.430 2.866 20 5 FFBDRO O=C(NCC[NH2+]C1CCCCCC1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000159618437 508866874 /nfs/dbraw/zinc/86/68/74/508866874.db2.gz GPENMBYPDKFXHP-UHFFFAOYSA-N 1 0 371.441 2.823 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000119971521 508901159 /nfs/dbraw/zinc/90/11/59/508901159.db2.gz YPQCUCYSMNWCHT-OAHLLOKOSA-N 1 0 364.446 2.786 20 5 FFBDRO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000159896261 508907243 /nfs/dbraw/zinc/90/72/43/508907243.db2.gz SVLIHYMWVYBWHJ-NSHDSACASA-N 1 0 370.247 2.962 20 5 FFBDRO CN(CC(C)(C)CN1CCOCC1)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000159945633 508915164 /nfs/dbraw/zinc/91/51/64/508915164.db2.gz DLAAFODPUQCJBH-UHFFFAOYSA-N 1 0 369.849 2.679 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000160146533 508945208 /nfs/dbraw/zinc/94/52/08/508945208.db2.gz IKCSURQFYQRVDB-HNNXBMFYSA-N 1 0 367.471 2.542 20 5 FFBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@H](CO)Cc2ccccc2)c1 ZINC000131529616 508945221 /nfs/dbraw/zinc/94/52/21/508945221.db2.gz WESVJERWESLAIH-AWEZNQCLSA-N 1 0 352.337 2.889 20 5 FFBDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000131649093 508957105 /nfs/dbraw/zinc/95/71/05/508957105.db2.gz SQQBNEXGGBDPAG-CQSZACIVSA-N 1 0 351.422 2.905 20 5 FFBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000120257223 508959583 /nfs/dbraw/zinc/95/95/83/508959583.db2.gz AIOASBYMSMLWDM-OAHLLOKOSA-N 1 0 369.487 2.550 20 5 FFBDRO Cc1cccc(C(=O)Nc2ccc(N3CCOCC3)nc2C)c1[N+](=O)[O-] ZINC000155273073 508963512 /nfs/dbraw/zinc/96/35/12/508963512.db2.gz OJTLXYRNUFSZNT-UHFFFAOYSA-N 1 0 356.382 2.696 20 5 FFBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)CC[C@@H]21 ZINC000155343642 508981425 /nfs/dbraw/zinc/98/14/25/508981425.db2.gz WPNPIWPFMAVVIH-PBHICJAKSA-N 1 0 358.442 2.725 20 5 FFBDRO C[NH+](C)CC(C)(C)CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000160701978 509022730 /nfs/dbraw/zinc/02/27/30/509022730.db2.gz ROHZEFFAOGSKPT-UHFFFAOYSA-N 1 0 358.236 2.675 20 5 FFBDRO COc1ccc(CCC[N@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 ZINC000125879147 509040216 /nfs/dbraw/zinc/04/02/16/509040216.db2.gz MAOKHCMWHOYRCJ-UHFFFAOYSA-N 1 0 357.410 2.767 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000120814722 509069886 /nfs/dbraw/zinc/06/98/86/509069886.db2.gz NALHCWAGTUDDCC-GFCCVEGCSA-N 1 0 368.231 2.668 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC2CCC(C[NH+](C)C)CC2)c1C ZINC000151768758 509079569 /nfs/dbraw/zinc/07/95/69/509079569.db2.gz GFMLWTYEMOQPAX-UHFFFAOYSA-N 1 0 369.487 2.610 20 5 FFBDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000120871582 509080132 /nfs/dbraw/zinc/08/01/32/509080132.db2.gz AGYJGDZJJFFLBK-QGZVFWFLSA-N 1 0 362.474 2.901 20 5 FFBDRO Cc1ccc(NCCC[NH2+][C@H](C(N)=O)c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000151924174 509111724 /nfs/dbraw/zinc/11/17/24/509111724.db2.gz KNAMQKHPOHHNOC-KRWDZBQOSA-N 1 0 360.389 2.661 20 5 FFBDRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000121060117 509119928 /nfs/dbraw/zinc/11/99/28/509119928.db2.gz TVRFTIUBEAJWFY-ZDUSSCGKSA-N 1 0 368.231 2.571 20 5 FFBDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000161761554 509150696 /nfs/dbraw/zinc/15/06/96/509150696.db2.gz VOJGOQONAMOBCZ-UWVGGRQHSA-N 1 0 361.320 2.536 20 5 FFBDRO CC[NH+]1CCC(N(C)C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000161816974 509156070 /nfs/dbraw/zinc/15/60/70/509156070.db2.gz YLMKTDSDZAPABL-UHFFFAOYSA-N 1 0 370.247 2.914 20 5 FFBDRO O=C(NCCc1cn2ccccc2n1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000121365728 509169914 /nfs/dbraw/zinc/16/99/14/509169914.db2.gz XKODGQVLKBIWGZ-UHFFFAOYSA-N 1 0 361.361 2.763 20 5 FFBDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2c([N+](=O)[O-])cnn2C)cc1 ZINC000162104818 509172591 /nfs/dbraw/zinc/17/25/91/509172591.db2.gz BKCIHMLZNQYHOR-AWEZNQCLSA-N 1 0 371.441 2.633 20 5 FFBDRO Cc1ccsc1[C@H](C)[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000162106282 509172609 /nfs/dbraw/zinc/17/26/09/509172609.db2.gz QABJBWHOFWGLMZ-LBPRGKRZSA-N 1 0 369.468 2.594 20 5 FFBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1c([N+](=O)[O-])cnn1C ZINC000162185546 509175324 /nfs/dbraw/zinc/17/53/24/509175324.db2.gz VYLCORVOHGPTOH-CQSZACIVSA-N 1 0 371.441 2.633 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000162466034 509230943 /nfs/dbraw/zinc/23/09/43/509230943.db2.gz PAIUGWZMRQKLHI-ZIAGYGMSSA-N 1 0 350.419 2.524 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N3CC[NH+]4CCC3CC4)cc2[N+](=O)[O-])CC1 ZINC000188820040 509278762 /nfs/dbraw/zinc/27/87/62/509278762.db2.gz KBJPWIUXBNTSCV-UHFFFAOYSA-N 1 0 372.469 2.751 20 5 FFBDRO O=C1O[C@H](C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CC12CCC2 ZINC000192048246 509317644 /nfs/dbraw/zinc/31/76/44/509317644.db2.gz RJFVIJSKSUFVLJ-KRWDZBQOSA-N 1 0 360.410 2.924 20 5 FFBDRO O=C(Cc1cccc([N+](=O)[O-])c1)Nc1ccc(CN2CCOCC2)cc1 ZINC000173009933 509348470 /nfs/dbraw/zinc/34/84/70/509348470.db2.gz GFUPZLVQCJGARH-UHFFFAOYSA-N 1 0 355.394 2.608 20 5 FFBDRO COc1cc(C[N@@H+]2CCC[C@@H]2C(C)(C)O)c([N+](=O)[O-])cc1OCC(F)F ZINC000182651316 509351093 /nfs/dbraw/zinc/35/10/93/509351093.db2.gz ULVRHVQOBIMIAC-OAHLLOKOSA-N 1 0 374.384 2.983 20 5 FFBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000182655683 509354064 /nfs/dbraw/zinc/35/40/64/509354064.db2.gz PEHRKCYPBAYTRC-NSHDSACASA-N 1 0 370.247 2.962 20 5 FFBDRO C[NH+](C)C1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000182658494 509355400 /nfs/dbraw/zinc/35/54/00/509355400.db2.gz AAQZVKVHDCGZDP-UHFFFAOYSA-N 1 0 357.863 2.893 20 5 FFBDRO CCOC(=O)C[C@@H](C)[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000182672693 509362084 /nfs/dbraw/zinc/36/20/84/509362084.db2.gz ZHGKZLSGISNYOV-CYBMUJFWSA-N 1 0 351.403 2.505 20 5 FFBDRO COc1cc(C[NH2+][C@@H](CO)Cc2cccc(C)c2)c([N+](=O)[O-])cc1OC ZINC000189021344 509373143 /nfs/dbraw/zinc/37/31/43/509373143.db2.gz KDYLBNJLWUFANZ-MRXNPFEDSA-N 1 0 360.410 2.614 20 5 FFBDRO CS(=O)(=O)c1ccc(NC2CC[NH+](C3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000267208322 509393555 /nfs/dbraw/zinc/39/35/55/509393555.db2.gz PYSYTNZUYDCRGU-UHFFFAOYSA-N 1 0 367.471 2.817 20 5 FFBDRO C[C@H](C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000163580795 509395092 /nfs/dbraw/zinc/39/50/92/509395092.db2.gz HHARYAOBDCRPGR-KXBFYZLASA-N 1 0 368.437 2.580 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000176253373 509404075 /nfs/dbraw/zinc/40/40/75/509404075.db2.gz WPPLPWDRFYPHSZ-CYBMUJFWSA-N 1 0 350.419 2.703 20 5 FFBDRO Cc1cccc(C(=O)NCCc2ccc(OCC[NH+](C)C)cc2)c1[N+](=O)[O-] ZINC000264267733 509422995 /nfs/dbraw/zinc/42/29/95/509422995.db2.gz RHHVHUFPMSQIDP-UHFFFAOYSA-N 1 0 371.437 2.816 20 5 FFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000176303347 509432244 /nfs/dbraw/zinc/43/22/44/509432244.db2.gz POLMIQQDEXREFH-AEFFLSMTSA-N 1 0 360.458 2.872 20 5 FFBDRO CCOc1ccc([C@H](C)[NH2+]CCN2CCOCC2(C)C)cc1[N+](=O)[O-] ZINC000179418294 509432619 /nfs/dbraw/zinc/43/26/19/509432619.db2.gz OWLFIYKLRORKJE-AWEZNQCLSA-N 1 0 351.447 2.755 20 5 FFBDRO C[C@@H](NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182831130 509447171 /nfs/dbraw/zinc/44/71/71/509447171.db2.gz GUIWDXQROKXZCK-OLZOCXBDSA-N 1 0 371.441 2.854 20 5 FFBDRO CC(C)C[C@H](C[NH3+])NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000236607897 509464120 /nfs/dbraw/zinc/46/41/20/509464120.db2.gz QLAVCAYVFWBECV-MRXNPFEDSA-N 1 0 362.474 2.934 20 5 FFBDRO CCC1(CC)[C@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H]1OC ZINC000248825704 509498849 /nfs/dbraw/zinc/49/88/49/509498849.db2.gz KEWAEKITWLLLOK-XYPHTWIQSA-N 1 0 352.431 2.518 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)[C@H](C)C1 ZINC000183022716 509552668 /nfs/dbraw/zinc/55/26/68/509552668.db2.gz HZJOUWBORSDOGD-RISCZKNCSA-N 1 0 371.384 2.999 20 5 FFBDRO C[NH+](C)CC1(CNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CCCC1 ZINC000186188748 509567046 /nfs/dbraw/zinc/56/70/46/509567046.db2.gz YLLPDTOHDDPRMM-UHFFFAOYSA-N 1 0 371.441 2.632 20 5 FFBDRO CCn1nc(C)c([N+](=O)[O-])c1N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000192621011 509568134 /nfs/dbraw/zinc/56/81/34/509568134.db2.gz QPKXEHWBQJVQHB-OAHLLOKOSA-N 1 0 372.473 2.742 20 5 FFBDRO O=C(CN1CC[C@H]([NH+]2CCCCC2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000264538480 509587061 /nfs/dbraw/zinc/58/70/61/509587061.db2.gz AHTFVHVDPNELPU-AWEZNQCLSA-N 1 0 366.849 2.747 20 5 FFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000183089698 509590194 /nfs/dbraw/zinc/59/01/94/509590194.db2.gz UIVUYQOCRQDGGQ-YPMHNXCESA-N 1 0 369.368 2.895 20 5 FFBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CC[NH2+][C@@H](C)C2)cc1 ZINC000237455378 509651625 /nfs/dbraw/zinc/65/16/25/509651625.db2.gz KDKNMEVHUBDXGY-ZDUSSCGKSA-N 1 0 371.393 2.830 20 5 FFBDRO C[C@H]([NH2+][C@@H](C)C1CCOCC1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000179876128 509657709 /nfs/dbraw/zinc/65/77/09/509657709.db2.gz JADWNRQBGMZULB-QWRGUYRKSA-N 1 0 355.822 2.980 20 5 FFBDRO COc1ccc(NC(=O)C[NH2+][C@@H]2CCCO[C@H]2CC(C)C)c([N+](=O)[O-])c1 ZINC000186364038 509670501 /nfs/dbraw/zinc/67/05/01/509670501.db2.gz BYUVBGUGXFKAOE-WBVHZDCISA-N 1 0 365.430 2.725 20 5 FFBDRO COc1ccc(F)cc1[C@@H](C)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000179940117 509682585 /nfs/dbraw/zinc/68/25/85/509682585.db2.gz HILKAFCLGXIIDN-DOMZBBRYSA-N 1 0 364.373 2.833 20 5 FFBDRO CCOCCC[N@@H+]1CC[C@H](NCc2c(F)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000249473471 509689042 /nfs/dbraw/zinc/68/90/42/509689042.db2.gz UWWDTJVYHQMCFH-YOEHRIQHSA-N 1 0 353.438 2.961 20 5 FFBDRO C[C@@H]1C[NH+](CCCCNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C[C@@H](C)O1 ZINC000267960525 509689915 /nfs/dbraw/zinc/68/99/15/509689915.db2.gz DLSIWYQWBDFLAO-ZIAGYGMSSA-N 1 0 374.441 2.695 20 5 FFBDRO COc1ccc(OCC[N@H+](C[C@@H](C)O)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000173667885 509709164 /nfs/dbraw/zinc/70/91/64/509709164.db2.gz DUKXOQFWXZVUCJ-CQSZACIVSA-N 1 0 352.431 2.998 20 5 FFBDRO CS(=O)(=O)C1CCC([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000193006715 509735033 /nfs/dbraw/zinc/73/50/33/509735033.db2.gz GRCRHCJRAASAOJ-PUJMQQBBSA-N 1 0 352.456 2.918 20 5 FFBDRO [NH3+][C@@H](C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 ZINC000237796420 509736872 /nfs/dbraw/zinc/73/68/72/509736872.db2.gz HYZRJTNPIQQHBC-GOSISDBHSA-N 1 0 355.394 2.665 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)c1 ZINC000180098594 509751202 /nfs/dbraw/zinc/75/12/02/509751202.db2.gz QALPSCAZVBXVPE-WMZOPIPTSA-N 1 0 355.394 2.779 20 5 FFBDRO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCC([NH2+]CC2CC2)CC1 ZINC000237895920 509765329 /nfs/dbraw/zinc/76/53/29/509765329.db2.gz QYDLLGUZWNHCRU-UHFFFAOYSA-N 1 0 358.442 2.773 20 5 FFBDRO O=C(c1cc(F)ccc1[N+](=O)[O-])N(Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000186606419 509797762 /nfs/dbraw/zinc/79/77/62/509797762.db2.gz RBAUFSIPILSULU-INIZCTEOSA-N 1 0 372.400 2.913 20 5 FFBDRO O=C(c1cc(F)ccc1[N+](=O)[O-])N(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000186606395 509798197 /nfs/dbraw/zinc/79/81/97/509798197.db2.gz RBAUFSIPILSULU-MRXNPFEDSA-N 1 0 372.400 2.913 20 5 FFBDRO COCC[N@H+](C)CCCNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000264992809 509812576 /nfs/dbraw/zinc/81/25/76/509812576.db2.gz XKWLXFQTTARCDW-UHFFFAOYSA-N 1 0 364.471 2.776 20 5 FFBDRO O=[N+]([O-])c1cc(CN2CC[C@@H](C[NH+]3CCCCC3)C2)c2c(c1)COCO2 ZINC000173880897 509832063 /nfs/dbraw/zinc/83/20/63/509832063.db2.gz MDFJNWNVGXJXQG-HNNXBMFYSA-N 1 0 361.442 2.769 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCC[C@@H](C4OCCO4)C3)o2)c1 ZINC000170914849 509844768 /nfs/dbraw/zinc/84/47/68/509844768.db2.gz DIVLBMZWJNSUTQ-OAHLLOKOSA-N 1 0 373.409 2.877 20 5 FFBDRO CC[C@H]1C[N@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CCS1 ZINC000173928952 509860163 /nfs/dbraw/zinc/86/01/63/509860163.db2.gz FURMZUAJEFQFMG-ZDUSSCGKSA-N 1 0 353.444 2.759 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCC[NH+](C(C)C)C(C)C ZINC000193401791 509899341 /nfs/dbraw/zinc/89/93/41/509899341.db2.gz KBKSQRDSZNHFDE-UHFFFAOYSA-N 1 0 352.435 2.521 20 5 FFBDRO C[C@H]([NH2+]CC(=O)NCCO[C@H]1CCCC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000180407292 509909853 /nfs/dbraw/zinc/90/98/53/509909853.db2.gz MJHNSHOKSQXNLK-MPGHIAIKSA-N 1 0 363.458 2.957 20 5 FFBDRO COc1cccc(COC[C@@H](O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000180419974 509916161 /nfs/dbraw/zinc/91/61/61/509916161.db2.gz YCCADIWHYKVOKR-KSSFIOAISA-N 1 0 360.410 2.832 20 5 FFBDRO C[N@H+](CCCO)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000265205017 509920434 /nfs/dbraw/zinc/92/04/34/509920434.db2.gz KOKVVPWDSJSKIM-UHFFFAOYSA-N 1 0 361.364 2.897 20 5 FFBDRO CC[N@H+](C)C[C@H]1CCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000245437272 509933813 /nfs/dbraw/zinc/93/38/13/509933813.db2.gz DSEGCQSEGMBDPR-CHWSQXEVSA-N 1 0 368.865 2.849 20 5 FFBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245443846 509937722 /nfs/dbraw/zinc/93/77/22/509937722.db2.gz JCTXZWIKVPJOAD-HOTGVXAUSA-N 1 0 360.458 2.730 20 5 FFBDRO Nc1ccc([N+](=O)[O-])c(NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)c1 ZINC000193497241 509940886 /nfs/dbraw/zinc/94/08/86/509940886.db2.gz ZSSNEKFWCSQDHE-KRWDZBQOSA-N 1 0 356.426 2.746 20 5 FFBDRO CC[NH+]1CCC(CCNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000174136094 509964319 /nfs/dbraw/zinc/96/43/19/509964319.db2.gz DNDXCAJUJKCXOG-UHFFFAOYSA-N 1 0 371.441 2.632 20 5 FFBDRO COC(=O)c1cnc(NCCC[N@@H+]2CCc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000190166903 509981997 /nfs/dbraw/zinc/98/19/97/509981997.db2.gz ZROKELKVBYMYTQ-UHFFFAOYSA-N 1 0 370.409 2.637 20 5 FFBDRO C[NH+](C)CCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])[nH]2)cc1Cl ZINC000265334615 509999058 /nfs/dbraw/zinc/99/90/58/509999058.db2.gz GYMRLGXLXURZOH-UHFFFAOYSA-N 1 0 352.778 2.769 20 5 FFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC[NH2+]C[C@@H]1c1cccc(Cl)c1 ZINC000261689818 510028916 /nfs/dbraw/zinc/02/89/16/510028916.db2.gz HLNLXGOWRKDFAA-QGZVFWFLSA-N 1 0 359.813 2.964 20 5 FFBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000184048291 510104845 /nfs/dbraw/zinc/10/48/45/510104845.db2.gz VFVZHITWRQUECB-JQIJEIRASA-N 1 0 373.453 2.569 20 5 FFBDRO C[C@@H](NC(=O)COc1cccc([N+](=O)[O-])c1)[C@H](c1ccccc1)[NH+](C)C ZINC000187183014 510107805 /nfs/dbraw/zinc/10/78/05/510107805.db2.gz ADTOCUKTFXGDMN-AUUYWEPGSA-N 1 0 357.410 2.781 20 5 FFBDRO O=C(Nc1cccc(CC[NH+]2CCCC2)c1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000187218062 510129526 /nfs/dbraw/zinc/12/95/26/510129526.db2.gz QLZLCCSAEANKGH-UHFFFAOYSA-N 1 0 356.382 2.586 20 5 FFBDRO C[NH+](C)Cc1cccc(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000193924152 510131194 /nfs/dbraw/zinc/13/11/94/510131194.db2.gz FNXKSBHKNAGKSV-UHFFFAOYSA-N 1 0 368.437 2.619 20 5 FFBDRO Cn1ccnc1[C@H]1C[NH2+]CCN1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000262048391 510159360 /nfs/dbraw/zinc/15/93/60/510159360.db2.gz QARSCROFEWSRDK-QGZVFWFLSA-N 1 0 367.409 2.735 20 5 FFBDRO C[N@@H+](Cc1ccc(Cl)c(Cl)c1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174658038 510234896 /nfs/dbraw/zinc/23/48/96/510234896.db2.gz UPKCYKPQEWXJLJ-LBPRGKRZSA-N 1 0 359.213 2.591 20 5 FFBDRO C[NH2+][C@H]1CCN(C(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC000269147278 510258563 /nfs/dbraw/zinc/25/85/63/510258563.db2.gz ZNFARSNRZSHAOP-LZWOXQAQSA-N 1 0 360.458 2.511 20 5 FFBDRO Cc1ccc(CCC2CC[NH+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)cc1 ZINC000174701298 510260358 /nfs/dbraw/zinc/26/03/58/510260358.db2.gz BNCPXNSFFCBIOY-FQEVSTJZSA-N 1 0 372.469 2.805 20 5 FFBDRO COc1cc(C[NH2+][C@@H]2CCO[C@]3(CCSC3)C2)c([N+](=O)[O-])cc1OC ZINC000269152069 510260782 /nfs/dbraw/zinc/26/07/82/510260782.db2.gz QEPZMJCLINMSTL-CXAGYDPISA-N 1 0 368.455 2.756 20 5 FFBDRO Cc1ccc([C@H](CNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)[NH+](C)C)cc1 ZINC000181070945 510268304 /nfs/dbraw/zinc/26/83/04/510268304.db2.gz HEQUMOOZCUEINF-INIZCTEOSA-N 1 0 371.393 2.665 20 5 FFBDRO [NH3+]CCCn1ccc2cc(C(=O)NCCc3ccccc3[N+](=O)[O-])ccc21 ZINC000269209024 510292971 /nfs/dbraw/zinc/29/29/71/510292971.db2.gz FYJWMYWQNGKTIN-UHFFFAOYSA-N 1 0 366.421 2.871 20 5 FFBDRO COc1cc(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)cc([N+](=O)[O-])c1OC ZINC000265923326 510303229 /nfs/dbraw/zinc/30/32/29/510303229.db2.gz XKKZPEIWHXENRL-OAHLLOKOSA-N 1 0 367.446 2.708 20 5 FFBDRO COc1cc(C[N@@H+]2CCC[C@@H](C3(C)OCCO3)C2)c([N+](=O)[O-])cc1F ZINC000184404231 510307292 /nfs/dbraw/zinc/30/72/92/510307292.db2.gz HDWHRHNQMYRHTH-CYBMUJFWSA-N 1 0 354.378 2.718 20 5 FFBDRO CC(C)c1ccc([C@H]([NH3+])CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)cc1 ZINC000262536233 510310860 /nfs/dbraw/zinc/31/08/60/510310860.db2.gz BEPRMEYOIHSFSI-OAHLLOKOSA-N 1 0 360.389 2.869 20 5 FFBDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000181245752 510320534 /nfs/dbraw/zinc/32/05/34/510320534.db2.gz IFQZOCULQIFNEO-ZDUSSCGKSA-N 1 0 369.425 2.527 20 5 FFBDRO Cc1ccc([C@H]([NH3+])C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000262690729 510370836 /nfs/dbraw/zinc/37/08/36/510370836.db2.gz ZERHSCOYNPVBRS-IBGZPJMESA-N 1 0 369.421 2.973 20 5 FFBDRO Cc1ccc([C@H](C)[NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000178006730 510371463 /nfs/dbraw/zinc/37/14/63/510371463.db2.gz KXIHXPQUPBORGG-AWEZNQCLSA-N 1 0 363.439 2.532 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(N2CC[C@H]([NH+](C)C)C2)cn1 ZINC000269423463 510399573 /nfs/dbraw/zinc/39/95/73/510399573.db2.gz LOFPLHMUWPOHOX-INIZCTEOSA-N 1 0 369.425 2.691 20 5 FFBDRO CCC[N@H+](C)C[C@@H]1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000174949320 510401817 /nfs/dbraw/zinc/40/18/17/510401817.db2.gz OBFRAJSZWFTQRO-AWEZNQCLSA-N 1 0 359.430 2.809 20 5 FFBDRO C[NH+](C)Cc1cccc(CNC(=O)NCCc2ccccc2[N+](=O)[O-])c1 ZINC000266159227 510438945 /nfs/dbraw/zinc/43/89/45/510438945.db2.gz WFEUKVPOSYAHAN-UHFFFAOYSA-N 1 0 356.426 2.698 20 5 FFBDRO C[C@H]1[NH2+]CCN(C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@H]1C ZINC000262853256 510440792 /nfs/dbraw/zinc/44/07/92/510440792.db2.gz SOXIUGINGCRYAM-MNOVXSKESA-N 1 0 374.363 2.624 20 5 FFBDRO COc1ccc(NC(=O)CC[NH2+][C@H](C)c2cccc(O)c2)c([N+](=O)[O-])c1 ZINC000181521360 510451678 /nfs/dbraw/zinc/45/16/78/510451678.db2.gz OTLVPBZLNOIJQR-GFCCVEGCSA-N 1 0 359.382 2.988 20 5 FFBDRO CCc1n[nH]c(C(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)c1[N+](=O)[O-] ZINC000246374403 510454700 /nfs/dbraw/zinc/45/47/00/510454700.db2.gz MCOLVTOKXHLXRB-KGLIPLIRSA-N 1 0 363.462 2.607 20 5 FFBDRO CC[NH+]1CCN(CCNC(=O)c2cc3ccccc3c3cccnc23)CC1 ZINC000171979549 510483965 /nfs/dbraw/zinc/48/39/65/510483965.db2.gz GEBRINJVLIQRLS-UHFFFAOYSA-N 1 0 362.477 2.755 20 5 FFBDRO Cc1c(NC(=O)CC[N@@H+](C)[C@@H](CO)c2ccccc2)cccc1[N+](=O)[O-] ZINC000269614239 510484753 /nfs/dbraw/zinc/48/47/53/510484753.db2.gz SDQYSDIPMGLKSV-SFHVURJKSA-N 1 0 357.410 2.897 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@H](CO)c1ccccc1 ZINC000269628913 510489783 /nfs/dbraw/zinc/48/97/83/510489783.db2.gz VUFUXKIEGJUEAN-GOSISDBHSA-N 1 0 357.410 2.897 20 5 FFBDRO C[C@@H](CCNC(=O)NCCNc1ccccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000184742283 510494752 /nfs/dbraw/zinc/49/47/52/510494752.db2.gz SSICOPDRHMPTOR-HNNXBMFYSA-N 1 0 363.462 2.570 20 5 FFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000194765068 510517531 /nfs/dbraw/zinc/51/75/31/510517531.db2.gz CAWOWKDBLSFLEE-MRXNPFEDSA-N 1 0 360.458 2.882 20 5 FFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)C[C@H]1CCC[C@H]1O ZINC000246535365 510541679 /nfs/dbraw/zinc/54/16/79/510541679.db2.gz LBXJJXJFPFEYRV-UEKVPHQBSA-N 1 0 355.822 2.668 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC2(CC1)[C@@H](O)C[C@@H]2OCC ZINC000175259550 510557957 /nfs/dbraw/zinc/55/79/57/510557957.db2.gz BDQULKIKQKMPGX-ROUUACIJSA-N 1 0 364.442 2.745 20 5 FFBDRO CCC[C@@]1(COC)CCC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000194919852 510592218 /nfs/dbraw/zinc/59/22/18/510592218.db2.gz XBIOPFQUXWMNOW-IBGZPJMESA-N 1 0 361.442 2.765 20 5 FFBDRO CCc1n[nH]c(C(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000175384489 510619848 /nfs/dbraw/zinc/61/98/48/510619848.db2.gz GBQXMASUQZCCLL-ZDUSSCGKSA-N 1 0 359.430 2.521 20 5 FFBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])s2)[C@@H](C)C1 ZINC000246722462 510637283 /nfs/dbraw/zinc/63/72/83/510637283.db2.gz GQPBEQCVSDLOQQ-STQMWFEESA-N 1 0 355.460 2.523 20 5 FFBDRO CC(C)(C)[NH+]1CCC(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000195036999 510641048 /nfs/dbraw/zinc/64/10/48/510641048.db2.gz HQNIAEPZRQCWOF-UHFFFAOYSA-N 1 0 371.441 2.773 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N(C)CCC[NH+](C)C)cc2[N+](=O)[O-])CC1 ZINC000181934230 510667658 /nfs/dbraw/zinc/66/76/58/510667658.db2.gz MZRFKEZEVVZCFP-UHFFFAOYSA-N 1 0 362.474 2.855 20 5 FFBDRO Cc1cc(OC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c(F)cc1[N+](=O)[O-] ZINC000185102571 510685558 /nfs/dbraw/zinc/68/55/58/510685558.db2.gz YMKAQARPWDBLDZ-INIZCTEOSA-N 1 0 360.385 2.840 20 5 FFBDRO CN(Cc1cccc([N+](=O)[O-])c1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188302651 510698175 /nfs/dbraw/zinc/69/81/75/510698175.db2.gz IDESMPKPADQVRQ-HXUWFJFHSA-N 1 0 355.438 2.664 20 5 FFBDRO C[C@@H](Cc1ccc(Br)cc1)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000188311736 510703522 /nfs/dbraw/zinc/70/35/22/510703522.db2.gz DYHYDJRJUAPQBN-NSHDSACASA-N 1 0 353.220 2.775 20 5 FFBDRO C[C@H]([NH2+][C@@H]1CC(=O)N(CCOc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000178658618 510707687 /nfs/dbraw/zinc/70/76/87/510707687.db2.gz WESHMRAWRWGPEA-DOTOQJQBSA-N 1 0 369.421 2.925 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000270191622 510710781 /nfs/dbraw/zinc/71/07/81/510710781.db2.gz YQBFMMIHSGRHLH-AWEZNQCLSA-N 1 0 362.430 2.799 20 5 FFBDRO C[C@H](Cc1ccc(O)cc1)[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182033579 510722326 /nfs/dbraw/zinc/72/23/26/510722326.db2.gz YBCGXCRPLKEUMI-PBHICJAKSA-N 1 0 360.410 2.603 20 5 FFBDRO C[NH+]1CCC([C@H]2CCN(C(=O)CCOc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000270290156 510748604 /nfs/dbraw/zinc/74/86/04/510748604.db2.gz WUXVQQNDGXYSTK-INIZCTEOSA-N 1 0 361.442 2.554 20 5 FFBDRO C[N@@H+]1CCCC[C@@H]1CN1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000182157202 510787400 /nfs/dbraw/zinc/78/74/00/510787400.db2.gz ZDWXUBKTMSNEAW-QGZVFWFLSA-N 1 0 366.893 2.850 20 5 FFBDRO CCn1cc([N+](=O)[O-])c(C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)n1 ZINC000191697109 510791134 /nfs/dbraw/zinc/79/11/34/510791134.db2.gz FQATUUIRMFWYBX-UHFFFAOYSA-N 1 0 357.414 2.702 20 5 FFBDRO Cc1ccc(OCC[N@@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000182190522 510805968 /nfs/dbraw/zinc/80/59/68/510805968.db2.gz PIUPUZYXHHBYPI-INIZCTEOSA-N 1 0 360.410 2.654 20 5 FFBDRO COC(=O)[C@@H]1CCCC[C@]1(C)[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000270433165 510807216 /nfs/dbraw/zinc/80/72/16/510807216.db2.gz JNSFWKBMNHFDSB-YJBOKZPZSA-N 1 0 364.398 2.673 20 5 FFBDRO CCCN(C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000178907762 510830228 /nfs/dbraw/zinc/83/02/28/510830228.db2.gz PSQZVCNUMOOBDU-CYBMUJFWSA-N 1 0 355.822 2.618 20 5 FFBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N[C@](C)(C[NH3+])C3CC3)cc2[N+](=O)[O-])C1 ZINC000247117665 510838598 /nfs/dbraw/zinc/83/85/98/510838598.db2.gz MFLCHOUYZDRKLI-ARGWCVDVSA-N 1 0 374.485 2.934 20 5 FFBDRO O=C1[C@@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000263810373 510847831 /nfs/dbraw/zinc/84/78/31/510847831.db2.gz MQJAPQWXWPWAFN-OPUMOTSWSA-N 1 0 351.406 2.999 20 5 FFBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000364579554 510951917 /nfs/dbraw/zinc/95/19/17/510951917.db2.gz LSHAJJXEIMIBGH-AWEZNQCLSA-N 1 0 367.833 2.714 20 5 FFBDRO C[N@H+](CCC(=O)Nc1cc(N)ccc1F)CCc1cccc([N+](=O)[O-])c1 ZINC000282417589 510968799 /nfs/dbraw/zinc/96/87/99/510968799.db2.gz JBODMSDJLOJKEF-UHFFFAOYSA-N 1 0 360.389 2.819 20 5 FFBDRO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)cc1 ZINC000277737118 510970702 /nfs/dbraw/zinc/97/07/02/510970702.db2.gz KLKWETBLMHHZSK-WFASDCNBSA-N 1 0 362.348 2.999 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000285599111 510971830 /nfs/dbraw/zinc/97/18/30/510971830.db2.gz PLYPOAPZQIIPDX-NVXWUHKLSA-N 1 0 360.458 2.790 20 5 FFBDRO CCOC(=O)C1CCC(O)(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000282545800 511020857 /nfs/dbraw/zinc/02/08/57/511020857.db2.gz WLEGLPSJADPQGY-UHFFFAOYSA-N 1 0 364.442 2.554 20 5 FFBDRO CN(c1ncc(Br)cc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000286501904 511026801 /nfs/dbraw/zinc/02/68/01/511026801.db2.gz WNFTVBOJPFYZBY-FOSCPWQOSA-N 1 0 355.236 2.814 20 5 FFBDRO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)Cc1ccncc1 ZINC000270972319 511043564 /nfs/dbraw/zinc/04/35/64/511043564.db2.gz CZOGOLUZHCCJDG-UHFFFAOYSA-N 1 0 358.398 2.849 20 5 FFBDRO COCCc1ccc(OC[C@@H](O)C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000294397231 511051293 /nfs/dbraw/zinc/05/12/93/511051293.db2.gz CIDCMGWHYRFSQH-RDJZCZTQSA-N 1 0 374.437 2.874 20 5 FFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC(=O)NCC(F)(F)F ZINC000271019391 511059349 /nfs/dbraw/zinc/05/93/49/511059349.db2.gz AFGLXLMSNWWJMY-SNVBAGLBSA-N 1 0 365.377 2.734 20 5 FFBDRO C[C@H]1C[C@H](NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000279381561 511063147 /nfs/dbraw/zinc/06/31/47/511063147.db2.gz VAFJGJCBGCYDKB-ONGXEEELSA-N 1 0 355.797 2.671 20 5 FFBDRO COc1ccc(C[NH2+][C@@H](C)C2CN(C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000294480443 511078829 /nfs/dbraw/zinc/07/88/29/511078829.db2.gz ZYMNAUHNDFBQQE-LBPRGKRZSA-N 1 0 365.430 2.948 20 5 FFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCCN1CCC(O)CC1 ZINC000271117666 511089096 /nfs/dbraw/zinc/08/90/96/511089096.db2.gz ITUWPOOKJOJXKY-HNNXBMFYSA-N 1 0 367.515 2.902 20 5 FFBDRO C[NH2+]CCC1CCN(C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)CC1 ZINC000271231246 511130167 /nfs/dbraw/zinc/13/01/67/511130167.db2.gz UIYGBJRREUIKCB-UHFFFAOYSA-N 1 0 364.402 2.582 20 5 FFBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000298087473 511170783 /nfs/dbraw/zinc/17/07/83/511170783.db2.gz ZPCZXYMNLHDZSI-GFCCVEGCSA-N 1 0 366.437 2.602 20 5 FFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@@H]2O)c(Cl)c1 ZINC000282959926 511177725 /nfs/dbraw/zinc/17/77/25/511177725.db2.gz YIZAIBPPCYKJBI-XJKSGUPXSA-N 1 0 354.834 2.906 20 5 FFBDRO CCC1(CNC(=O)c2[nH]ncc2[N+](=O)[O-])CC[NH+](Cc2ccccc2)CC1 ZINC000362413984 511190331 /nfs/dbraw/zinc/19/03/31/511190331.db2.gz QHACGEZZHQJRQE-UHFFFAOYSA-N 1 0 371.441 2.740 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)NCCC[C@H]2CCC[NH2+]2)cc1SC ZINC000294846601 511197115 /nfs/dbraw/zinc/19/71/15/511197115.db2.gz NABULZDXXMDAKD-LLVKDONJSA-N 1 0 353.444 2.587 20 5 FFBDRO COc1cc(C(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)c([N+](=O)[O-])cc1F ZINC000295163293 511305721 /nfs/dbraw/zinc/30/57/21/511305721.db2.gz DJHGTIXOMRRASZ-CYBMUJFWSA-N 1 0 367.421 2.840 20 5 FFBDRO C[C@H]1OCC[C@]12C[N@H+](CCc1ncc(-c3cccc([N+](=O)[O-])c3)o1)CCO2 ZINC000280334820 511425604 /nfs/dbraw/zinc/42/56/04/511425604.db2.gz HMOSARWONYKYLZ-KUHUBIRLSA-N 1 0 373.409 2.672 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000272260129 511483939 /nfs/dbraw/zinc/48/39/39/511483939.db2.gz UYIVZEXPWSBZCG-SWLSCSKDSA-N 1 0 355.385 2.875 20 5 FFBDRO C[C@@H]1C[C@@H](N(C)Cc2c([N+](=O)[O-])ncn2C)CC[N@@H+]1Cc1ccccc1 ZINC000363355220 511499562 /nfs/dbraw/zinc/49/95/62/511499562.db2.gz IFPYLARFENUJIE-WBVHZDCISA-N 1 0 357.458 2.813 20 5 FFBDRO CC(C)[N@@H+]1CCCN([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000292324510 511554182 /nfs/dbraw/zinc/55/41/82/511554182.db2.gz BPWNPPDWTTXLNY-CYBMUJFWSA-N 1 0 368.865 2.991 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCc2ccccc2C[NH+]2CCCC2)n1 ZINC000280663531 511554382 /nfs/dbraw/zinc/55/43/82/511554382.db2.gz BTCCLHSFYBRUSP-UHFFFAOYSA-N 1 0 370.409 2.984 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000365673099 511593438 /nfs/dbraw/zinc/59/34/38/511593438.db2.gz PTGJPDXSFUNKBJ-MNZLEMJZSA-N 1 0 351.406 2.763 20 5 FFBDRO CO[C@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1(C)C ZINC000296103491 511620134 /nfs/dbraw/zinc/62/01/34/511620134.db2.gz RCVJTVIYBOLWPZ-HNNXBMFYSA-N 1 0 353.394 2.809 20 5 FFBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)COCC(F)(F)F ZINC000292509795 511623346 /nfs/dbraw/zinc/62/33/46/511623346.db2.gz TZYQHIQRXFNFEB-AWEZNQCLSA-N 1 0 350.337 2.745 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])cn1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000365738132 511629654 /nfs/dbraw/zinc/62/96/54/511629654.db2.gz GSIQZPFMMMFERD-SJORKVTESA-N 1 0 366.421 2.584 20 5 FFBDRO CC1(C)[C@H]([NH2+]CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]2CCO[C@H]21 ZINC000296144131 511634227 /nfs/dbraw/zinc/63/42/27/511634227.db2.gz JTZHZDILNPLYHR-COLVAYQJSA-N 1 0 353.806 2.590 20 5 FFBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000296215961 511659336 /nfs/dbraw/zinc/65/93/36/511659336.db2.gz CXJXRUGELZTOEC-RDJZCZTQSA-N 1 0 359.426 2.500 20 5 FFBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]C3CCN(Cc4ccncc4)CC3)nc2c1 ZINC000365819502 511667565 /nfs/dbraw/zinc/66/75/65/511667565.db2.gz VKKRRGLXDDUTKQ-UHFFFAOYSA-N 1 0 366.425 2.620 20 5 FFBDRO O=[N+]([O-])c1ccc(F)cc1CN1CCC(CC[NH+]2CCOCC2)CC1 ZINC000363665033 511692886 /nfs/dbraw/zinc/69/28/86/511692886.db2.gz GINWSTUWXLRBFG-UHFFFAOYSA-N 1 0 351.422 2.668 20 5 FFBDRO CC1(C)[C@H]([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@H]2CCO[C@@H]21 ZINC000296477785 511759693 /nfs/dbraw/zinc/75/96/93/511759693.db2.gz YEKASMLYMYNZJG-KMUNFCNLSA-N 1 0 353.806 2.590 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000281280336 511787782 /nfs/dbraw/zinc/78/77/82/511787782.db2.gz QDEWIQRPCRJJOV-INIZCTEOSA-N 1 0 363.458 2.909 20 5 FFBDRO COc1cc(Cc2noc([C@H]3CCn4c(C)[nH+]cc4C3)n2)ccc1[N+](=O)[O-] ZINC000350421043 511806951 /nfs/dbraw/zinc/80/69/51/511806951.db2.gz UQUAIGLJTFTAKQ-ZDUSSCGKSA-N 1 0 369.381 2.812 20 5 FFBDRO O=[N+]([O-])c1ccc2[nH]cc(Cc3noc([C@H]4CCn5cncc5C4)n3)c2c1 ZINC000363994430 511894001 /nfs/dbraw/zinc/89/40/01/511894001.db2.gz NIOVMOHHTXZKPN-NSHDSACASA-N 1 0 364.365 2.976 20 5 FFBDRO C[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cn2)CC[N@@H+]1Cc1ccccc1 ZINC000366199334 511896142 /nfs/dbraw/zinc/89/61/42/511896142.db2.gz GKZBWHACVKFNKU-HOCLYGCPSA-N 1 0 354.410 2.773 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(Cc2noc([C@@H]3CCc4nccn4C3)n2)c1 ZINC000350898520 511903139 /nfs/dbraw/zinc/90/31/39/511903139.db2.gz ILCLIKGYFJWCCZ-LLVKDONJSA-N 1 0 355.354 2.504 20 5 FFBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)Nc1cc([N+](=O)[O-])c(C)cc1F ZINC000296865312 511927607 /nfs/dbraw/zinc/92/76/07/511927607.db2.gz VMBQATYDFSOZKV-LBPRGKRZSA-N 1 0 356.398 2.521 20 5 FFBDRO CS(=O)(=O)CCCCC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000274788738 511942444 /nfs/dbraw/zinc/94/24/44/511942444.db2.gz NGSBYSXRBMBTNB-MRXNPFEDSA-N 1 0 354.472 2.720 20 5 FFBDRO [NH3+]C[C@@H]1CN(C(=O)/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])s2)CCO1 ZINC000274839420 511960151 /nfs/dbraw/zinc/96/01/51/511960151.db2.gz WEYBOWLDHHYVBZ-STMXVASLSA-N 1 0 373.434 2.523 20 5 FFBDRO CS[C@@H]1CN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C[C@H]1[NH+]1CCCC1 ZINC000275126073 512049347 /nfs/dbraw/zinc/04/93/47/512049347.db2.gz NRUAKJUYZSVCEE-HZPDHXFCSA-N 1 0 374.466 2.728 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)c1 ZINC000297209045 512062561 /nfs/dbraw/zinc/06/25/61/512062561.db2.gz NHYFIGMFINGKRC-WBVHZDCISA-N 1 0 373.384 2.700 20 5 FFBDRO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000366511994 512062628 /nfs/dbraw/zinc/06/26/28/512062628.db2.gz SXSSOBYKRLPXPE-CYBMUJFWSA-N 1 0 368.231 2.668 20 5 FFBDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)C2)C1 ZINC000366533837 512076489 /nfs/dbraw/zinc/07/64/89/512076489.db2.gz UNWNSBJODNRAGI-GOSISDBHSA-N 1 0 372.450 2.886 20 5 FFBDRO CC(=O)c1cc(N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)ccc1[N+](=O)[O-] ZINC000367348398 512456176 /nfs/dbraw/zinc/45/61/76/512456176.db2.gz OBXUHKMXHSABLT-UHFFFAOYSA-N 1 0 374.485 2.651 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(CN2CCCCC2=O)CC1 ZINC000373771936 512498109 /nfs/dbraw/zinc/49/81/09/512498109.db2.gz OGWXKWBWBRSJIX-UHFFFAOYSA-N 1 0 361.442 2.828 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000373776416 512500026 /nfs/dbraw/zinc/50/00/26/512500026.db2.gz HBNKLKGCHOGGSE-DYVFJYSZSA-N 1 0 359.426 2.579 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000373776418 512500295 /nfs/dbraw/zinc/50/02/95/512500295.db2.gz HBNKLKGCHOGGSE-GUYCJALGSA-N 1 0 359.426 2.579 20 5 FFBDRO C[N@@H+]1CCCC12CCN(CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)CC2 ZINC000375819320 512524052 /nfs/dbraw/zinc/52/40/52/512524052.db2.gz YHWKNMIZTCESLH-UHFFFAOYSA-N 1 0 366.849 2.747 20 5 FFBDRO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H](CCO)c1ccccc1 ZINC000411287885 512563885 /nfs/dbraw/zinc/56/38/85/512563885.db2.gz BJWJMHWMZGTNKT-GOSISDBHSA-N 1 0 357.410 2.979 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(CC(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)c1F ZINC000411414772 512624330 /nfs/dbraw/zinc/62/43/30/512624330.db2.gz BZAGILSBMDUUDV-QWHCGFSZSA-N 1 0 367.421 2.522 20 5 FFBDRO C[C@@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@]2(CCO[C@H](C)C2)O1 ZINC000374028777 512630546 /nfs/dbraw/zinc/63/05/46/512630546.db2.gz STDQRVLSKWVZOQ-IIDMSEBBSA-N 1 0 350.415 2.632 20 5 FFBDRO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000378233224 512651505 /nfs/dbraw/zinc/65/15/05/512651505.db2.gz UCUMMCIEIPRECU-KRWDZBQOSA-N 1 0 372.469 2.799 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](C[NH+](C)C)Oc2ccccc21 ZINC000372018485 512681307 /nfs/dbraw/zinc/68/13/07/512681307.db2.gz WQRIHMSFWMHOOC-HNNXBMFYSA-N 1 0 355.394 2.873 20 5 FFBDRO Cc1n[nH]c(C)c1[C@H]1COCCN1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000374302132 512754890 /nfs/dbraw/zinc/75/48/90/512754890.db2.gz MVTYWIKCDZHDRD-QGZVFWFLSA-N 1 0 360.414 2.777 20 5 FFBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(F)(F)c3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000378500974 512792685 /nfs/dbraw/zinc/79/26/85/512792685.db2.gz YUDQABAYLNGUKL-DOMZBBRYSA-N 1 0 353.369 2.629 20 5 FFBDRO COCC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCCSC1 ZINC000411763896 512799429 /nfs/dbraw/zinc/79/94/29/512799429.db2.gz ZJYKPGMPDSHRQZ-AWEZNQCLSA-N 1 0 367.471 2.767 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000374423168 512826775 /nfs/dbraw/zinc/82/67/75/512826775.db2.gz VFKLPNBCIIMKJM-KMFMINBZSA-N 1 0 353.850 2.932 20 5 FFBDRO C[C@H]1[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC[N@@H+]1Cc1ccccc1 ZINC000383835698 512881552 /nfs/dbraw/zinc/88/15/52/512881552.db2.gz SXBJJCHULPGTKW-LRDDRELGSA-N 1 0 372.400 2.709 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](N2CCCC2=O)CC1 ZINC000412056104 512934212 /nfs/dbraw/zinc/93/42/12/512934212.db2.gz NMVNJYBXPXWSNU-MRXNPFEDSA-N 1 0 361.442 2.970 20 5 FFBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000398001240 512952279 /nfs/dbraw/zinc/95/22/79/512952279.db2.gz NNIBHMPPZRTSJT-YOEHRIQHSA-N 1 0 368.437 2.817 20 5 FFBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCN(c3ccccc3C(N)=O)C2)cc1[N+](=O)[O-] ZINC000370636646 513026975 /nfs/dbraw/zinc/02/69/75/513026975.db2.gz SAGGRCATVZYJQD-ZBFHGGJFSA-N 1 0 368.437 2.932 20 5 FFBDRO Cc1ncc2c(n1)CC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)C2 ZINC000368824408 513115056 /nfs/dbraw/zinc/11/50/56/513115056.db2.gz RZKFHNPHUFQXFM-ZDUSSCGKSA-N 1 0 364.352 2.942 20 5 FFBDRO CC(C)c1n[nH]c(C(=O)NCCC[N@H+](C)C2CCCCC2)c1[N+](=O)[O-] ZINC000433713866 513134520 /nfs/dbraw/zinc/13/45/20/513134520.db2.gz NWONFPGLRFSFCE-UHFFFAOYSA-N 1 0 351.451 2.826 20 5 FFBDRO CC[NH+](CC)[C@H](CNC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-])CC(C)C ZINC000433745419 513141011 /nfs/dbraw/zinc/14/10/11/513141011.db2.gz QRWSTCAAHBKGHK-ZDUSSCGKSA-N 1 0 353.467 2.928 20 5 FFBDRO COc1ccc(-c2ccc(C[NH2+][C@H](CO)CC(F)F)o2)c([N+](=O)[O-])c1 ZINC000428639419 513149389 /nfs/dbraw/zinc/14/93/89/513149389.db2.gz JKUZTBINCAYIIW-JTQLQIEISA-N 1 0 356.325 2.969 20 5 FFBDRO CC(C)c1n[nH]c(C(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000433826647 513161281 /nfs/dbraw/zinc/16/12/81/513161281.db2.gz QPWLFUSHZOBAOI-ZIAGYGMSSA-N 1 0 365.478 2.929 20 5 FFBDRO COC(=O)[C@@]1(c2ccccc2)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000428816447 513200915 /nfs/dbraw/zinc/20/09/15/513200915.db2.gz ILTBPZBCWDTLNU-FQEVSTJZSA-N 1 0 370.405 2.920 20 5 FFBDRO CC(C)c1n[nH]c(C(=O)N(C)CC[N@H+](C)C2CCCCC2)c1[N+](=O)[O-] ZINC000433985723 513207219 /nfs/dbraw/zinc/20/72/19/513207219.db2.gz OOTKXUXXSOLICJ-UHFFFAOYSA-N 1 0 351.451 2.778 20 5 FFBDRO CC(C)c1n[nH]c(C(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000433987850 513208072 /nfs/dbraw/zinc/20/80/72/513208072.db2.gz KDZWXVRQLAEYBH-PXAZEXFGSA-N 1 0 351.451 2.682 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000428992595 513241791 /nfs/dbraw/zinc/24/17/91/513241791.db2.gz BHJFLFUFPOWLAJ-URLQWDBASA-N 1 0 374.485 2.894 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000429022030 513257986 /nfs/dbraw/zinc/25/79/86/513257986.db2.gz RBXIZWHAVKIKAC-DDUZABMNSA-N 1 0 360.458 2.504 20 5 FFBDRO O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000415437806 513260852 /nfs/dbraw/zinc/26/08/52/513260852.db2.gz LEMUHGSNRVZCPK-VHSXEESVSA-N 1 0 358.320 2.687 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N[C@H]3CCC[C@H]3C[NH3+])cc2[N+](=O)[O-])C1 ZINC000429186829 513300648 /nfs/dbraw/zinc/30/06/48/513300648.db2.gz VHCBTAGBUWUDDE-KBMXLJTQSA-N 1 0 360.458 2.688 20 5 FFBDRO C[C@H](C[NH+]1CCCCCC1)NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000450744043 513323104 /nfs/dbraw/zinc/32/31/04/513323104.db2.gz KNPNDQSJBCSSRT-OAHLLOKOSA-N 1 0 361.442 2.938 20 5 FFBDRO CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000429284603 513325890 /nfs/dbraw/zinc/32/58/90/513325890.db2.gz KXXPJUMMLFOTLL-DLBZAZTESA-N 1 0 361.442 2.667 20 5 FFBDRO CCC1(CC)[C@H]([NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@@H]1OC ZINC000429284609 513326228 /nfs/dbraw/zinc/32/62/28/513326228.db2.gz KXXPJUMMLFOTLL-SJORKVTESA-N 1 0 361.442 2.667 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H]1Cc2cccc(O)c2C1 ZINC000429320138 513339080 /nfs/dbraw/zinc/33/90/80/513339080.db2.gz ATCUYIUTZXGKRH-AWEZNQCLSA-N 1 0 355.394 2.694 20 5 FFBDRO Cc1c(NC(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC000415648347 513361558 /nfs/dbraw/zinc/36/15/58/513361558.db2.gz BOPZOPRTAMEBHS-QPUJVOFHSA-N 1 0 371.235 2.785 20 5 FFBDRO Cc1c(NC(=O)NC[C@@H]2CCC[NH2+]C2)cc(Br)cc1[N+](=O)[O-] ZINC000415666994 513370070 /nfs/dbraw/zinc/37/00/70/513370070.db2.gz XOTXNSZLYFQHNR-SNVBAGLBSA-N 1 0 371.235 2.787 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N(C)C[C@H]3CCC[N@@H+]3C)cc2[N+](=O)[O-])C1 ZINC000421706636 513379300 /nfs/dbraw/zinc/37/93/00/513379300.db2.gz VINZUDIPRDGDCW-NVXWUHKLSA-N 1 0 374.485 2.997 20 5 FFBDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000425056996 513394164 /nfs/dbraw/zinc/39/41/64/513394164.db2.gz AQLJXMGJVLDFQO-SMDDNHRTSA-N 1 0 369.874 2.893 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@]1(CO)CCCc2ccccc21 ZINC000440823135 513417127 /nfs/dbraw/zinc/41/71/27/513417127.db2.gz QXKJTKZXLHIVNC-FQEVSTJZSA-N 1 0 369.421 2.655 20 5 FFBDRO COc1ccc(CNC(=O)Nc2ccc3c(c2)C[NH2+]CC3)cc1[N+](=O)[O-] ZINC000415880217 513459912 /nfs/dbraw/zinc/45/99/12/513459912.db2.gz FBYRGCJDYHUNRZ-UHFFFAOYSA-N 1 0 356.382 2.571 20 5 FFBDRO C[C@H]([C@H]1Cc2ccccc2O1)[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000441017014 513461544 /nfs/dbraw/zinc/46/15/44/513461544.db2.gz WKDOCOGDMNNWAB-WIBUTAKZSA-N 1 0 372.421 2.659 20 5 FFBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000415952386 513496482 /nfs/dbraw/zinc/49/64/82/513496482.db2.gz GZIHHQKWXIYALY-UHFFFAOYSA-N 1 0 358.373 2.744 20 5 FFBDRO Cc1ccc([C@@H](C)NC(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)cc1[N+](=O)[O-] ZINC000415953800 513497472 /nfs/dbraw/zinc/49/74/72/513497472.db2.gz GIJSIGBBIJZSOH-DOMZBBRYSA-N 1 0 369.425 2.997 20 5 FFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3ccc(-c4cc[nH]n4)o3)C2)nc1 ZINC000435123565 513517907 /nfs/dbraw/zinc/51/79/07/513517907.db2.gz HPVGMSJFGYZLLE-GFCCVEGCSA-N 1 0 354.370 2.659 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@H](CO)Cc2ccc(F)cc2)n1 ZINC000447597247 513518307 /nfs/dbraw/zinc/51/83/07/513518307.db2.gz RYXGRAYNFZEDPV-GVDBMIGSSA-N 1 0 362.405 2.607 20 5 FFBDRO C[C@H](c1cccc(C(F)(F)F)c1)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000441276559 513525806 /nfs/dbraw/zinc/52/58/06/513525806.db2.gz KLSHLTGQLWKRBZ-ABAIWWIYSA-N 1 0 372.347 2.864 20 5 FFBDRO CCOC1(C)CC[NH+](Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)CC1 ZINC000430091632 513549997 /nfs/dbraw/zinc/54/99/97/513549997.db2.gz YHQNYJUCTYKBFZ-UHFFFAOYSA-N 1 0 366.414 2.538 20 5 FFBDRO C[NH+](C)[C@@H]1CCOc2c(NC(=O)c3cc(F)cc([N+](=O)[O-])c3N)cccc21 ZINC000447728846 513553819 /nfs/dbraw/zinc/55/38/19/513553819.db2.gz MOBXDYXEWFERTC-CQSZACIVSA-N 1 0 374.372 2.954 20 5 FFBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000418558994 513557661 /nfs/dbraw/zinc/55/76/61/513557661.db2.gz VHOBYWNLRGCNLG-UHFFFAOYSA-N 1 0 354.410 2.582 20 5 FFBDRO C[NH2+]CCN(C)Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000435375282 513569001 /nfs/dbraw/zinc/56/90/01/513569001.db2.gz LLKDWFYEBUUYEI-UHFFFAOYSA-N 1 0 359.426 2.834 20 5 FFBDRO C[N@@H+]1CC[C@@]2(CCN(Cc3ccc(Br)cc3[N+](=O)[O-])C2)C1 ZINC000425447591 513572210 /nfs/dbraw/zinc/57/22/10/513572210.db2.gz PXZZGARWOWSRGB-OAHLLOKOSA-N 1 0 354.248 2.885 20 5 FFBDRO C[NH2+][C@@H]1CCN(Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1 ZINC000435390844 513573224 /nfs/dbraw/zinc/57/32/24/513573224.db2.gz QMFLEDZVMUFIBG-QGZVFWFLSA-N 1 0 371.437 2.976 20 5 FFBDRO C[C@H]1CCCC[N@@H+]1CCNc1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000447812627 513578743 /nfs/dbraw/zinc/57/87/43/513578743.db2.gz NBGOKBQQBZPWAQ-INIZCTEOSA-N 1 0 362.474 2.713 20 5 FFBDRO COCCN(Cc1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CCO[C@H]1C ZINC000425467616 513581924 /nfs/dbraw/zinc/58/19/24/513581924.db2.gz BTVHMGLPICWUMY-SMDDNHRTSA-N 1 0 373.247 2.983 20 5 FFBDRO COc1ccc(CNC(=O)C[C@@H](c2ccccc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000416130264 513585582 /nfs/dbraw/zinc/58/55/82/513585582.db2.gz HUEVMMLRGSNBCM-INIZCTEOSA-N 1 0 357.410 2.913 20 5 FFBDRO COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000451226421 513607457 /nfs/dbraw/zinc/60/74/57/513607457.db2.gz AAEKFXWJMOEYDU-MJBXVCDLSA-N 1 0 363.414 2.633 20 5 FFBDRO COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000451229700 513608583 /nfs/dbraw/zinc/60/85/83/513608583.db2.gz NAVHWEITQBLJFH-MAZHCROVSA-N 1 0 363.414 2.633 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])[nH]1)N(Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435555459 513616614 /nfs/dbraw/zinc/61/66/14/513616614.db2.gz GIDQPKMGJAFARN-CQSZACIVSA-N 1 0 360.439 2.769 20 5 FFBDRO CN(c1ccccc1)c1ccc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)cn1 ZINC000435782268 513682653 /nfs/dbraw/zinc/68/26/53/513682653.db2.gz OVJBLSLHYYJZKP-UHFFFAOYSA-N 1 0 352.398 2.744 20 5 FFBDRO COc1cc(NC(=O)Cc2cccc([N+](=O)[O-])c2)ccc1OCC[NH+](C)C ZINC000416345023 513724431 /nfs/dbraw/zinc/72/44/31/513724431.db2.gz WFCQDMNQSZXHNK-UHFFFAOYSA-N 1 0 373.409 2.725 20 5 FFBDRO Cn1cc([C@@H]2C[N@H+](Cc3c(F)cccc3[N+](=O)[O-])CC23CCOCC3)cn1 ZINC000451404621 513725283 /nfs/dbraw/zinc/72/52/83/513725283.db2.gz BDGJZQNYUWFTTK-INIZCTEOSA-N 1 0 374.416 2.864 20 5 FFBDRO Cn1cc(C(=O)NC[C@H]2[NH2+]CCCC2(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000430693760 513725843 /nfs/dbraw/zinc/72/58/43/513725843.db2.gz BWFDYCFXJBSWCG-MRXNPFEDSA-N 1 0 371.441 2.503 20 5 FFBDRO CCOc1cc(C(=O)NC[C@H]2[NH2+]CCCC2(C)C)c([N+](=O)[O-])cc1OC ZINC000430719004 513732136 /nfs/dbraw/zinc/73/21/36/513732136.db2.gz IHLBDNRAUZECEF-MRXNPFEDSA-N 1 0 365.430 2.510 20 5 FFBDRO CC1(C)[C@H]([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H]2CCCO[C@@H]21 ZINC000451479057 513776256 /nfs/dbraw/zinc/77/62/56/513776256.db2.gz LQWZMMAJFMIPTA-XZJROXQQSA-N 1 0 367.833 2.980 20 5 FFBDRO CO[C@@]1(C)C[C@H]([NH2+]CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1(C)C ZINC000451488298 513782385 /nfs/dbraw/zinc/78/23/85/513782385.db2.gz MJMOPRDVGQXWFM-YJBOKZPZSA-N 1 0 363.414 2.686 20 5 FFBDRO CCOc1ccc(NC(=O)CN2CC[NH2+]Cc3ccccc32)c([N+](=O)[O-])c1 ZINC000430928906 513784401 /nfs/dbraw/zinc/78/44/01/513784401.db2.gz VHNSLUZHRBMCBW-UHFFFAOYSA-N 1 0 370.409 2.542 20 5 FFBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2[C@@H](C)[C@@H](OC)C2(C)C)c([N+](=O)[O-])c1 ZINC000451502476 513794740 /nfs/dbraw/zinc/79/47/40/513794740.db2.gz PXCNBQCXMLHESJ-OXUXUCFPSA-N 1 0 365.430 2.580 20 5 FFBDRO CN(Cc1ccc([N+](=O)[O-])cc1F)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425967160 513809712 /nfs/dbraw/zinc/80/97/12/513809712.db2.gz NLHSTTCPVSKRDM-FQEVSTJZSA-N 1 0 373.428 2.803 20 5 FFBDRO COc1ccc(NC(=O)[C@H](C)N2CC[C@H](OC)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000451562215 513833839 /nfs/dbraw/zinc/83/38/39/513833839.db2.gz IXEDDWXVNDLWNG-LRDDRELGSA-N 1 0 365.430 2.677 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C(C)C)[C@H](CO)C(C)C ZINC000451590234 513851630 /nfs/dbraw/zinc/85/16/30/513851630.db2.gz BIUODGLVPAAKGB-CRAIPNDOSA-N 1 0 351.447 2.720 20 5 FFBDRO CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000451598003 513857440 /nfs/dbraw/zinc/85/74/40/513857440.db2.gz JUJRLIZLZBWYET-CVEARBPZSA-N 1 0 363.414 2.635 20 5 FFBDRO COc1cc(C[N@H+](C)[C@@H]2CCCC[C@H]2O)c([N+](=O)[O-])cc1OCC(F)F ZINC000426224233 513877043 /nfs/dbraw/zinc/87/70/43/513877043.db2.gz AFCYQEFHVYELTI-TZMCWYRMSA-N 1 0 374.384 2.983 20 5 FFBDRO COc1cc(C(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000448782570 513895850 /nfs/dbraw/zinc/89/58/50/513895850.db2.gz DZBKIESEVRJTKY-RWMBFGLXSA-N 1 0 367.421 2.839 20 5 FFBDRO CC(C)C[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CC1 ZINC000448812755 513911349 /nfs/dbraw/zinc/91/13/49/513911349.db2.gz OUHXTVXLCPQJMD-UHFFFAOYSA-N 1 0 371.441 2.631 20 5 FFBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)[NH+]1CCC(C)CC1 ZINC000448815074 513912175 /nfs/dbraw/zinc/91/21/75/513912175.db2.gz ZMYBGKPCHQFKFR-OAHLLOKOSA-N 1 0 371.441 2.631 20 5 FFBDRO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@@H]3C[C@@H](O)CC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000451690948 513912752 /nfs/dbraw/zinc/91/27/52/513912752.db2.gz ARPFUZJBYWCGBP-JJXSEGSLSA-N 1 0 361.442 2.713 20 5 FFBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NCC[C@H]1CCC[NH2+]C1 ZINC000422801683 513936768 /nfs/dbraw/zinc/93/67/68/513936768.db2.gz ABNSLGPUWPNUCJ-LLVKDONJSA-N 1 0 357.863 2.846 20 5 FFBDRO CCCN(C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000422807158 513939302 /nfs/dbraw/zinc/93/93/02/513939302.db2.gz ONRSUHLVOAHQAZ-LBPRGKRZSA-N 1 0 357.863 2.941 20 5 FFBDRO C[N@H+](CCNC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)C1CCCC1 ZINC000448919298 513969848 /nfs/dbraw/zinc/96/98/48/513969848.db2.gz ZOXRMTOYBOQQKO-UHFFFAOYSA-N 1 0 357.414 2.589 20 5 FFBDRO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448925123 513973093 /nfs/dbraw/zinc/97/30/93/513973093.db2.gz MCMSKMNNXXINOF-OAHLLOKOSA-N 1 0 369.425 2.527 20 5 FFBDRO C[C@H]([NH2+]C[C@H](O)Cn1ccnn1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000414198116 514007509 /nfs/dbraw/zinc/00/75/09/514007509.db2.gz WBIUKQUWJOFZGE-STQMWFEESA-N 1 0 373.438 2.627 20 5 FFBDRO CS(=O)(=O)CC1(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCC1 ZINC000414325696 514049018 /nfs/dbraw/zinc/04/90/18/514049018.db2.gz KXFHAERVSSDCLL-INIZCTEOSA-N 1 0 366.483 2.720 20 5 FFBDRO CC[N@H+](C)Cc1cccc(CNC(=O)c2ccc([N+](=O)[O-])cc2OC)c1 ZINC000426933881 514077051 /nfs/dbraw/zinc/07/70/51/514077051.db2.gz NWMOIRRBFSZISU-UHFFFAOYSA-N 1 0 357.410 2.985 20 5 FFBDRO CCOC(=O)c1ccnc(NCC[N@@H+]2CCCC(C)(C)C2)c1[N+](=O)[O-] ZINC000443950999 514079769 /nfs/dbraw/zinc/07/97/69/514079769.db2.gz VZVOVEGSLLLIPR-UHFFFAOYSA-N 1 0 350.419 2.700 20 5 FFBDRO O=C1[C@H]([N@@H+]2CCC[C@@]3(CCSC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000451963920 514098209 /nfs/dbraw/zinc/09/82/09/514098209.db2.gz IFCUVJNFIAGETF-SJLPKXTDSA-N 1 0 361.467 2.919 20 5 FFBDRO COC(=O)C1CC[NH+](CCCNc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000432157059 514112138 /nfs/dbraw/zinc/11/21/38/514112138.db2.gz XPBJXDLPGJJWSP-UHFFFAOYSA-N 1 0 355.822 2.935 20 5 FFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000449214400 514116236 /nfs/dbraw/zinc/11/62/36/514116236.db2.gz YDTQLLUPHNESBE-SOUVJXGZSA-N 1 0 363.483 2.924 20 5 FFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1NCCc2ccccc21 ZINC000423431314 514140719 /nfs/dbraw/zinc/14/07/19/514140719.db2.gz QJRMJGWVOOYDCS-IFXJQAMLSA-N 1 0 368.437 2.789 20 5 FFBDRO CCn1nccc1N1CCC[C@H]([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])C1=O ZINC000449276148 514142604 /nfs/dbraw/zinc/14/26/04/514142604.db2.gz AZFAJCVREBAETL-ZBFHGGJFSA-N 1 0 371.441 2.527 20 5 FFBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)NCC[C@H]3CCC[NH2+]3)cc2[N+](=O)[O-])C1 ZINC000444256881 514169885 /nfs/dbraw/zinc/16/98/85/514169885.db2.gz APQFRQFHVVBDLV-HLLBOEOZSA-N 1 0 374.485 2.949 20 5 FFBDRO CNC(=O)NC1CC[NH+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000414544694 514171441 /nfs/dbraw/zinc/17/14/41/514171441.db2.gz POKINUPKLKKVLS-UHFFFAOYSA-N 1 0 358.398 2.748 20 5 FFBDRO COC(=O)[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1c1ccc(O)cc1 ZINC000449346596 514176337 /nfs/dbraw/zinc/17/63/37/514176337.db2.gz BLJXORJNBGTNOM-DLBZAZTESA-N 1 0 374.368 2.828 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CCC(CS(C)(=O)=O)CC1 ZINC000449371474 514184883 /nfs/dbraw/zinc/18/48/83/514184883.db2.gz VGXYLSKTLIGAGF-VQCLRJIVSA-N 1 0 354.472 2.719 20 5 FFBDRO C[C@H](NC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000417143735 514191769 /nfs/dbraw/zinc/19/17/69/514191769.db2.gz UWJYZTXQKNGOBG-DOPJRALCSA-N 1 0 354.410 2.711 20 5 FFBDRO COc1cc(C[NH2+]C[C@@H](Cc2ccccc2)OC)c([N+](=O)[O-])cc1OC ZINC000449393379 514192765 /nfs/dbraw/zinc/19/27/65/514192765.db2.gz MZYKPWDDSANJCS-MRXNPFEDSA-N 1 0 360.410 2.959 20 5 FFBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000423694895 514203667 /nfs/dbraw/zinc/20/36/67/514203667.db2.gz LABAZDGCERKRIZ-ZYHUDNBSSA-N 1 0 355.847 2.551 20 5 FFBDRO C[C@@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H](C)[N@H+]1CCO ZINC000449534662 514245083 /nfs/dbraw/zinc/24/50/83/514245083.db2.gz MUVFWNPYBQLRET-GASCZTMLSA-N 1 0 359.426 2.742 20 5 FFBDRO O=C(CNc1ccccc1[N+](=O)[O-])NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000437856103 514252164 /nfs/dbraw/zinc/25/21/64/514252164.db2.gz TVVSFUFBGONGAU-INIZCTEOSA-N 1 0 360.458 2.920 20 5 FFBDRO O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000437856671 514252905 /nfs/dbraw/zinc/25/29/05/514252905.db2.gz YGFRQINPSNYTGC-HNNXBMFYSA-N 1 0 371.441 2.998 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)C(=O)NCCc1ccccc1 ZINC000449580668 514261686 /nfs/dbraw/zinc/26/16/86/514261686.db2.gz SPTHGZHYIJZDRX-CVEARBPZSA-N 1 0 355.438 2.863 20 5 FFBDRO CCOc1cc(N2CCN(CC[NH2+]C(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000414755046 514275961 /nfs/dbraw/zinc/27/59/61/514275961.db2.gz ONWGQBRJZFPTTN-UHFFFAOYSA-N 1 0 350.463 2.504 20 5 FFBDRO CCCOc1cc(NC(=O)N(C)[C@@H](C)C[NH3+])c([N+](=O)[O-])cc1OCCC ZINC000414788335 514293918 /nfs/dbraw/zinc/29/39/18/514293918.db2.gz NMOMCZKDPNMWSA-LBPRGKRZSA-N 1 0 368.434 2.983 20 5 FFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCN1CCO[C@@H](CC)C1 ZINC000427735189 514297674 /nfs/dbraw/zinc/29/76/74/514297674.db2.gz IBUSTPMUTDLWLS-AWEZNQCLSA-N 1 0 367.471 2.547 20 5 FFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000449698498 514311914 /nfs/dbraw/zinc/31/19/14/514311914.db2.gz NCVNAQMRVYVZDW-ZIAGYGMSSA-N 1 0 351.834 2.639 20 5 FFBDRO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000423997432 514329065 /nfs/dbraw/zinc/32/90/65/514329065.db2.gz LOVRUAPRUCGWAB-IBGZPJMESA-N 1 0 366.421 2.956 20 5 FFBDRO Cc1ccccc1[C@@H](CC(F)(F)F)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000444778690 514329444 /nfs/dbraw/zinc/32/94/44/514329444.db2.gz JPARGGURZUVGFN-UKRRQHHQSA-N 1 0 372.347 2.744 20 5 FFBDRO [NH3+][C@H]1CCCO[C@H]1C1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000424001172 514331608 /nfs/dbraw/zinc/33/16/08/514331608.db2.gz MYQMUMBTFBBILD-HOCLYGCPSA-N 1 0 367.833 2.607 20 5 FFBDRO C[C@@H]1CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C[C@H]1C[NH3+] ZINC000424003714 514333542 /nfs/dbraw/zinc/33/35/42/514333542.db2.gz DWLBMARRGJPBGW-HZPDHXFCSA-N 1 0 363.461 2.598 20 5 FFBDRO [NH3+][C@H]1CCO[C@H](C2CCN(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])CC2)C1 ZINC000424011993 514340011 /nfs/dbraw/zinc/34/00/11/514340011.db2.gz NYUGXCWTFRWKES-BBRMVZONSA-N 1 0 367.833 2.607 20 5 FFBDRO CCc1ccc([C@H]([NH2+]C[C@]2(O)CCO[C@@H]2C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000433014117 514350842 /nfs/dbraw/zinc/35/08/42/514350842.db2.gz QWMGUBCKMYQJMI-UPRAQXHNSA-N 1 0 360.410 2.969 20 5 FFBDRO CCOc1ccc(C(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)cc1[N+](=O)[O-] ZINC000424046367 514357032 /nfs/dbraw/zinc/35/70/32/514357032.db2.gz VMXAZAYQYQWTOG-QGZVFWFLSA-N 1 0 361.442 2.844 20 5 FFBDRO C[C@@H]1C[C@H](C)N(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000424054950 514360845 /nfs/dbraw/zinc/36/08/45/514360845.db2.gz ATZSBYQMUHDXGJ-FRRDWIJNSA-N 1 0 369.849 2.849 20 5 FFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1NCCc2ccccc21 ZINC000414942081 514366982 /nfs/dbraw/zinc/36/69/82/514366982.db2.gz BGYNRQHGHMRWPQ-LIRRHRJNSA-N 1 0 368.437 2.789 20 5 FFBDRO C[C@H]([NH3+])C1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000414941996 514367059 /nfs/dbraw/zinc/36/70/59/514367059.db2.gz DFTMOKONXCTUFT-VIFPVBQESA-N 1 0 358.345 2.787 20 5 FFBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)C[C@H]21 ZINC000414956309 514375187 /nfs/dbraw/zinc/37/51/87/514375187.db2.gz VEWLHXNMLNPMDB-YUSALJHKSA-N 1 0 370.356 2.787 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000420948800 514396664 /nfs/dbraw/zinc/39/66/64/514396664.db2.gz OFFBVIJLQQBHDI-OLZOCXBDSA-N 1 0 362.348 2.999 20 5 FFBDRO CN(Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)C[C@@H](O)C[NH3+] ZINC000415072602 514429621 /nfs/dbraw/zinc/42/96/21/514429621.db2.gz XCWXYQURGJBZJN-AWEZNQCLSA-N 1 0 365.817 2.792 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C[C@H]1C ZINC000449968953 514447127 /nfs/dbraw/zinc/44/71/27/514447127.db2.gz CKIGKHBGWRNEDT-CJNGLKHVSA-N 1 0 371.441 2.930 20 5 FFBDRO COc1cc(CN2CC[C@@H](C)[C@H](C[NH3+])C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000415132388 514458466 /nfs/dbraw/zinc/45/84/66/514458466.db2.gz UCNCEBFSJDLQEB-DGCLKSJQSA-N 1 0 373.400 2.664 20 5 FFBDRO Cn1cc(C[NH+]2CCC(O)(C(F)F)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000428468188 514481739 /nfs/dbraw/zinc/48/17/39/514481739.db2.gz MYRBQRDVPLOWIJ-UHFFFAOYSA-N 1 0 366.368 2.587 20 5 FFBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000421101375 514483830 /nfs/dbraw/zinc/48/38/30/514483830.db2.gz VUWRVKUQEUSOKA-LLVKDONJSA-N 1 0 358.345 2.754 20 5 FFBDRO O=C(Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1)c1ccc(F)cc1[N+](=O)[O-] ZINC000428542447 514494597 /nfs/dbraw/zinc/49/45/97/514494597.db2.gz RERUVNOKXGTDJB-OAHLLOKOSA-N 1 0 359.357 2.553 20 5 FFBDRO CC[NH+](CC)CCN(CCOC)C(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000439110195 514494750 /nfs/dbraw/zinc/49/47/50/514494750.db2.gz QTJGBGHEXBULGY-UHFFFAOYSA-N 1 0 371.865 2.987 20 5 FFBDRO COc1cc(C(=O)N2CC[NH+](C3CCCCC3)CC2)c([N+](=O)[O-])cc1F ZINC000450149718 514511182 /nfs/dbraw/zinc/51/11/82/514511182.db2.gz WNBKVZKBZSKHCX-UHFFFAOYSA-N 1 0 365.405 2.833 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@H](O)Cc2cccc(F)c2)n1 ZINC000453226397 514574050 /nfs/dbraw/zinc/57/40/50/514574050.db2.gz XSDFIOQKRKGPHH-BRWVUGGUSA-N 1 0 362.405 2.607 20 5 FFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000458192863 514616123 /nfs/dbraw/zinc/61/61/23/514616123.db2.gz PGKUOJKALXYNMH-KGLIPLIRSA-N 1 0 351.472 2.924 20 5 FFBDRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C)C1 ZINC000507960011 514625010 /nfs/dbraw/zinc/62/50/10/514625010.db2.gz BGROCGXWJUYORY-CQSZACIVSA-N 1 0 358.446 2.558 20 5 FFBDRO CCOC(=O)C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C(C)(C)C ZINC000475345418 514628097 /nfs/dbraw/zinc/62/80/97/514628097.db2.gz AOYWNDAKVKWYON-UHFFFAOYSA-N 1 0 365.430 2.895 20 5 FFBDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C)C[C@@H](C)C1 ZINC000453427492 514631083 /nfs/dbraw/zinc/63/10/83/514631083.db2.gz PEOCDDLVCHOUNX-ZQIUZPCESA-N 1 0 370.457 2.557 20 5 FFBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C)C[C@@H](C)C1 ZINC000453427491 514632715 /nfs/dbraw/zinc/63/27/15/514632715.db2.gz PEOCDDLVCHOUNX-VBQJREDUSA-N 1 0 370.457 2.557 20 5 FFBDRO COCC[C@H](CO)[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000466478309 514657258 /nfs/dbraw/zinc/65/72/58/514657258.db2.gz ZDNVIYLRMNKAHJ-MRXNPFEDSA-N 1 0 359.426 2.850 20 5 FFBDRO C[NH+](C)CCn1nccc1NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000455662095 514667199 /nfs/dbraw/zinc/66/71/99/514667199.db2.gz VAURSOGBYJFGHZ-UHFFFAOYSA-N 1 0 372.429 2.549 20 5 FFBDRO Cn1c(C(=O)Nc2ccccc2NC2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000502610113 514717658 /nfs/dbraw/zinc/71/76/58/514717658.db2.gz OIWAOJZBVYUWLR-UHFFFAOYSA-N 1 0 357.414 2.692 20 5 FFBDRO CCO[C@H]1COCC[C@@H]1[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000484657541 514734117 /nfs/dbraw/zinc/73/41/17/514734117.db2.gz VFZCFUFWIPGDDU-RDJZCZTQSA-N 1 0 361.398 2.576 20 5 FFBDRO Cc1nc(N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)ccc1[N+](=O)[O-] ZINC000471058816 514736447 /nfs/dbraw/zinc/73/64/47/514736447.db2.gz GPHDLCKQNQTDLW-DLBZAZTESA-N 1 0 356.426 2.593 20 5 FFBDRO COc1cc(C[N@@H+]2CCC[C@@H]2CN2C[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000489231147 514761031 /nfs/dbraw/zinc/76/10/31/514761031.db2.gz IPQZPDOHUQGPPA-HLLBOEOZSA-N 1 0 363.458 2.677 20 5 FFBDRO Cc1cc(N2CCC[N@@H+]([C@H](C)CO)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461943065 514798222 /nfs/dbraw/zinc/79/82/22/514798222.db2.gz WCSJEBFMSCOKSV-GFCCVEGCSA-N 1 0 361.364 2.815 20 5 FFBDRO COC(=O)[C@H]1CC[N@H+](Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C1 ZINC000508594182 514834217 /nfs/dbraw/zinc/83/42/17/514834217.db2.gz IIIYBNQETKTCCU-LBPRGKRZSA-N 1 0 360.366 2.858 20 5 FFBDRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000498366602 514883856 /nfs/dbraw/zinc/88/38/56/514883856.db2.gz XZLHYDSQVCPGMJ-LSDHHAIUSA-N 1 0 360.439 2.723 20 5 FFBDRO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)c3cc([N+](=O)[O-])nn3C)cc2)C1 ZINC000476076467 514909611 /nfs/dbraw/zinc/90/96/11/514909611.db2.gz VTXBQERAQOMATM-ZDUSSCGKSA-N 1 0 357.414 2.813 20 5 FFBDRO COCC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C(C)(C)C ZINC000508986735 514976856 /nfs/dbraw/zinc/97/68/56/514976856.db2.gz KQMMBAYGIMKJFV-LRDDRELGSA-N 1 0 367.446 2.971 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000509023703 514993528 /nfs/dbraw/zinc/99/35/28/514993528.db2.gz XTDOKKOXQHJMOT-NVGVWMPQSA-N 1 0 355.385 2.557 20 5 FFBDRO C[NH+](C)[C@@H](CNc1ncnc2cccc([N+](=O)[O-])c21)c1cccc(F)c1 ZINC000509068507 515008273 /nfs/dbraw/zinc/00/82/73/515008273.db2.gz NRHZSTSFTROYDW-INIZCTEOSA-N 1 0 355.373 2.814 20 5 FFBDRO CC(C)C1CCC([NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000462363266 515015450 /nfs/dbraw/zinc/01/54/50/515015450.db2.gz DOOLJUBADWJKKP-UHFFFAOYSA-N 1 0 369.487 2.678 20 5 FFBDRO [NH3+]CCCN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)CC1CCCC1 ZINC000489904425 515025023 /nfs/dbraw/zinc/02/50/23/515025023.db2.gz BMMFLFLYNAJFSN-UHFFFAOYSA-N 1 0 359.430 2.986 20 5 FFBDRO CNc1nc(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)ccc1[N+](=O)[O-] ZINC000456269447 515061630 /nfs/dbraw/zinc/06/16/30/515061630.db2.gz UMIMRZUGBGAOSD-OAHLLOKOSA-N 1 0 355.398 2.833 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)c1C ZINC000480946218 515148230 /nfs/dbraw/zinc/14/82/30/515148230.db2.gz ANGOXYKWHRQZRB-GXTWGEPZSA-N 1 0 369.487 2.610 20 5 FFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1nnnn1-c1ccccc1 ZINC000509428911 515172377 /nfs/dbraw/zinc/17/23/77/515172377.db2.gz IQGZFDFKMHQBJX-QINSGFPZSA-N 1 0 364.409 2.806 20 5 FFBDRO COc1c[nH+]ccc1N1CCN(c2ccc([N+](=O)[O-])c3cccnc32)CC1 ZINC000481044849 515183465 /nfs/dbraw/zinc/18/34/65/515183465.db2.gz GUNUHEFRADRVIT-UHFFFAOYSA-N 1 0 365.393 2.873 20 5 FFBDRO C[C@H]1[C@H](Nc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)CCC[N@@H+]1C ZINC000462701953 515199204 /nfs/dbraw/zinc/19/92/04/515199204.db2.gz PEYSKMCVWKYGFH-GOEBONIOSA-N 1 0 356.426 2.885 20 5 FFBDRO CCOC(=O)CC(C)(C)[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000490626569 515266287 /nfs/dbraw/zinc/26/62/87/515266287.db2.gz KOIHGGMOTRDGEH-UHFFFAOYSA-N 1 0 365.430 2.895 20 5 FFBDRO CCOC(=O)CC(C)(C)[N@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000490675278 515279596 /nfs/dbraw/zinc/27/95/96/515279596.db2.gz QSLWPXVTLXMTAX-UHFFFAOYSA-N 1 0 351.403 2.505 20 5 FFBDRO C[C@@H](C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)[NH+]1CCCCCC1 ZINC000509674186 515283815 /nfs/dbraw/zinc/28/38/15/515283815.db2.gz ZKLOSCOBTMRZDP-INIZCTEOSA-N 1 0 360.458 2.508 20 5 FFBDRO Cc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])n2C)[NH+]2CCCC2)cc1 ZINC000499426578 515317595 /nfs/dbraw/zinc/31/75/95/515317595.db2.gz YTWQWEFSMPWECR-KRWDZBQOSA-N 1 0 356.426 2.809 20 5 FFBDRO COc1cc(C(=O)Nc2cccc(OCC[NH+](C)C)c2)ccc1[N+](=O)[O-] ZINC000504561386 515329554 /nfs/dbraw/zinc/32/95/54/515329554.db2.gz RAZZDTGAMYFSFH-UHFFFAOYSA-N 1 0 359.382 2.796 20 5 FFBDRO O=C(NC1CC[NH+](C2CCC2)CC1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000456680068 515345527 /nfs/dbraw/zinc/34/55/27/515345527.db2.gz CMVBUMRIVYYKDE-UHFFFAOYSA-N 1 0 369.425 2.527 20 5 FFBDRO CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000456685209 515350052 /nfs/dbraw/zinc/35/00/52/515350052.db2.gz CXYAAOCJPFHMTJ-UHFFFAOYSA-N 1 0 365.478 2.540 20 5 FFBDRO C[C@@H](CC[NH3+])NC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000477167683 515354482 /nfs/dbraw/zinc/35/44/82/515354482.db2.gz VSZLJUDQODSOHH-QMMMGPOBSA-N 1 0 372.212 2.554 20 5 FFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCCN1CCOCC1 ZINC000504922215 515409302 /nfs/dbraw/zinc/40/93/02/515409302.db2.gz ZFUUGFMGCFEFDB-HNNXBMFYSA-N 1 0 353.488 2.777 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])c(N(C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)n1 ZINC000491351794 515418091 /nfs/dbraw/zinc/41/80/91/515418091.db2.gz ZULCXJUNBPDJMT-FQEVSTJZSA-N 1 0 370.453 2.680 20 5 FFBDRO C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000481757047 515453748 /nfs/dbraw/zinc/45/37/48/515453748.db2.gz WQJCCCYRSJYVQQ-DLBZAZTESA-N 1 0 369.421 2.578 20 5 FFBDRO CC[N@@H+]1CCCN(Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])CC1 ZINC000491876420 515478022 /nfs/dbraw/zinc/47/80/22/515478022.db2.gz QAPGKIVRDHXKFC-UHFFFAOYSA-N 1 0 373.400 2.775 20 5 FFBDRO CCOc1cc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)ccc1O ZINC000459347180 515490315 /nfs/dbraw/zinc/49/03/15/515490315.db2.gz POSWQIJHKJUSTK-CQSZACIVSA-N 1 0 358.398 2.781 20 5 FFBDRO CN(C(C)(C)C[NH+]1CCCCCC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000492333678 515527140 /nfs/dbraw/zinc/52/71/40/515527140.db2.gz LOLLSGCPWCORHB-UHFFFAOYSA-N 1 0 369.487 2.870 20 5 FFBDRO CN(CC(=O)Nc1cccc(OCC[NH+](C)C)c1)c1ccccc1[N+](=O)[O-] ZINC000463641358 515566862 /nfs/dbraw/zinc/56/68/62/515566862.db2.gz ANKLTCGJGSHPMZ-UHFFFAOYSA-N 1 0 372.425 2.610 20 5 FFBDRO COC(=O)c1cccc2c1CCN(Cc1ccc([N+](=O)[O-])c(OC)c1)C2 ZINC000459541015 515632769 /nfs/dbraw/zinc/63/27/69/515632769.db2.gz FMARBSJKUXEDMJ-UHFFFAOYSA-N 1 0 356.378 2.948 20 5 FFBDRO C[NH+](C)[C@@H](CNc1c(Br)cncc1[N+](=O)[O-])c1ccsc1 ZINC000500261068 515647638 /nfs/dbraw/zinc/64/76/38/515647638.db2.gz IQLOVLBMZVVRHH-NSHDSACASA-N 1 0 371.260 2.951 20 5 FFBDRO CC(C)C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1cnn(C)c1 ZINC000459575918 515662301 /nfs/dbraw/zinc/66/23/01/515662301.db2.gz CWCPEFITUDWFLC-UHFFFAOYSA-N 1 0 359.430 2.815 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)C[C@@H]1C ZINC000493891585 515678332 /nfs/dbraw/zinc/67/83/32/515678332.db2.gz OEJLICDPQHHOSB-LSDHHAIUSA-N 1 0 369.487 2.705 20 5 FFBDRO C[C@@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1nc2c(s1)CCC2 ZINC000459629532 515707382 /nfs/dbraw/zinc/70/73/82/515707382.db2.gz HAGPKQCTPYIKBE-NEPJUHHUSA-N 1 0 363.439 2.631 20 5 FFBDRO O=C(CC(F)(F)F)NC[C@@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000510904686 515708948 /nfs/dbraw/zinc/70/89/48/515708948.db2.gz ZMWZMSNUMVDKLQ-LBPRGKRZSA-N 1 0 359.348 2.875 20 5 FFBDRO CNc1nc(C(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000454752209 515717141 /nfs/dbraw/zinc/71/71/41/515717141.db2.gz LJALXEXUFVBAAF-ZIAGYGMSSA-N 1 0 363.462 2.519 20 5 FFBDRO COC(=O)c1cnc(NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000478274482 515761264 /nfs/dbraw/zinc/76/12/64/515761264.db2.gz DGJMYILYRWIFRL-ZIAGYGMSSA-N 1 0 364.446 2.946 20 5 FFBDRO O=C(CC(F)(F)F)NC[C@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000511063001 515763821 /nfs/dbraw/zinc/76/38/21/515763821.db2.gz GDCILBYSYXRAOL-CQSZACIVSA-N 1 0 373.375 2.918 20 5 FFBDRO COc1cccc2c1C[C@H]([NH2+]Cc1cc(OC)c(OC)cc1[N+](=O)[O-])C2 ZINC000459716139 515763841 /nfs/dbraw/zinc/76/38/41/515763841.db2.gz ZJGLHTQKXXSQLT-CQSZACIVSA-N 1 0 358.394 2.878 20 5 FFBDRO COC(=O)c1cnc(NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000478285653 515766626 /nfs/dbraw/zinc/76/66/26/515766626.db2.gz WKKVIKLDOVXNGK-STQMWFEESA-N 1 0 350.419 2.556 20 5 FFBDRO COC(=O)c1cnc(NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000478285652 515767220 /nfs/dbraw/zinc/76/72/20/515767220.db2.gz WKKVIKLDOVXNGK-CHWSQXEVSA-N 1 0 350.419 2.556 20 5 FFBDRO CCN(CCC[NH+]1CCCC1)C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000487310432 515825092 /nfs/dbraw/zinc/82/50/92/515825092.db2.gz YAZXBTXUKXFNHK-UHFFFAOYSA-N 1 0 355.385 2.750 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N3CCC[C@@H]([NH3+])[C@H]3C)cc2[N+](=O)[O-])C1 ZINC000457357197 515825816 /nfs/dbraw/zinc/82/58/16/515825816.db2.gz ITHVILVUJXGPLP-IIAWOOMASA-N 1 0 360.458 2.783 20 5 FFBDRO COc1ccc(-c2ccc(C[N@@H+]3CCCN(C(C)=O)CC3)o2)c([N+](=O)[O-])c1 ZINC000506247582 515826610 /nfs/dbraw/zinc/82/66/10/515826610.db2.gz TVHXNSOVFJWNMY-UHFFFAOYSA-N 1 0 373.409 2.918 20 5 FFBDRO O=C(c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000457366088 515830235 /nfs/dbraw/zinc/83/02/35/515830235.db2.gz COURCVCBYBJJQJ-STQMWFEESA-N 1 0 365.408 2.502 20 5 FFBDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000506328101 515850993 /nfs/dbraw/zinc/85/09/93/515850993.db2.gz TWHZOAKVDOCEGS-ZIAGYGMSSA-N 1 0 371.441 2.726 20 5 FFBDRO CNc1nc(C(=O)N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000454958050 515857764 /nfs/dbraw/zinc/85/77/64/515857764.db2.gz VHHNTFBPTUDSBS-DZGCQCFKSA-N 1 0 369.425 2.597 20 5 FFBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000506479477 515893102 /nfs/dbraw/zinc/89/31/02/515893102.db2.gz XSKAZJISIMLFML-CYBMUJFWSA-N 1 0 357.414 2.622 20 5 FFBDRO Cc1cnc(N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)c([N+](=O)[O-])c1 ZINC000474148867 515905454 /nfs/dbraw/zinc/90/54/54/515905454.db2.gz YCOSAJJHSDUPBV-DLBZAZTESA-N 1 0 356.426 2.593 20 5 FFBDRO C[C@@H](CNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1)C[NH+]1CCCCC1 ZINC000511528807 515934007 /nfs/dbraw/zinc/93/40/07/515934007.db2.gz LPUYWXMAOAFPNF-INIZCTEOSA-N 1 0 362.474 2.901 20 5 FFBDRO O=C(C[NH2+]C1(CCO)CCCCC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000474262689 515961135 /nfs/dbraw/zinc/96/11/35/515961135.db2.gz BFKFRBVQINQRTB-UHFFFAOYSA-N 1 0 355.822 2.862 20 5 FFBDRO CC[NH+]1CCC(NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000501086347 515973048 /nfs/dbraw/zinc/97/30/48/515973048.db2.gz WGGRSFRLFBXEJK-UHFFFAOYSA-N 1 0 371.235 2.963 20 5 FFBDRO CCCCOC1CC[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000464857539 515992048 /nfs/dbraw/zinc/99/20/48/515992048.db2.gz UGDYDTGUXFODAX-MRXNPFEDSA-N 1 0 352.431 2.616 20 5 FFBDRO CC[N@H+](CCNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C1CC1 ZINC000494908183 516004604 /nfs/dbraw/zinc/00/46/04/516004604.db2.gz HSSMBGARVFYBSZ-UHFFFAOYSA-N 1 0 374.363 2.897 20 5 FFBDRO C[NH+](C)C1(CNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CCCCC1 ZINC000479008318 516029828 /nfs/dbraw/zinc/02/98/28/516029828.db2.gz FOCJIFXOAUYBGC-UHFFFAOYSA-N 1 0 371.441 2.775 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000474423752 516039756 /nfs/dbraw/zinc/03/97/56/516039756.db2.gz AAYGHGSGNPQDOL-OAHLLOKOSA-N 1 0 370.409 2.999 20 5 FFBDRO C[C@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@@]2(CCCOC2)O1 ZINC000483368863 516051851 /nfs/dbraw/zinc/05/18/51/516051851.db2.gz CLGLUPQRQLKDRO-MAUKXSAKSA-N 1 0 350.415 2.634 20 5 FFBDRO CC1=CC[N@H+](CCNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000460234725 516078739 /nfs/dbraw/zinc/07/87/39/516078739.db2.gz TVZXUEZUAYUMMF-UHFFFAOYSA-N 1 0 358.442 2.921 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000495151934 516083544 /nfs/dbraw/zinc/08/35/44/516083544.db2.gz AABKDQWKIWEOMV-CQSZACIVSA-N 1 0 357.410 2.854 20 5 FFBDRO CC[NH+](CC)[C@H](C)CNC(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1C ZINC000470115457 516126571 /nfs/dbraw/zinc/12/65/71/516126571.db2.gz YUSJAIDXLDNCHW-LLVKDONJSA-N 1 0 366.418 2.542 20 5 FFBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000512147844 516173821 /nfs/dbraw/zinc/17/38/21/516173821.db2.gz VJSLXMYJUPBDTD-VXGBXAGGSA-N 1 0 355.822 2.568 20 5 FFBDRO CC(C)([NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1ccccc1 ZINC000507342857 516179886 /nfs/dbraw/zinc/17/98/86/516179886.db2.gz WDTQMLJTDSYTRP-UHFFFAOYSA-N 1 0 357.366 2.787 20 5 FFBDRO C[N@H+](CC1CC1)C[C@H]1CCN(c2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000474774894 516190740 /nfs/dbraw/zinc/19/07/40/516190740.db2.gz KVPZQUGLGYJDER-GFCCVEGCSA-N 1 0 369.263 2.920 20 5 FFBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000507603736 516260749 /nfs/dbraw/zinc/26/07/49/516260749.db2.gz KFQDIVDRBRRBRL-NVXWUHKLSA-N 1 0 369.421 2.925 20 5 FFBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C[C@@H]1C ZINC000497603995 516327702 /nfs/dbraw/zinc/32/77/02/516327702.db2.gz JXXKKPXTMHERES-WDEREUQCSA-N 1 0 357.357 2.751 20 5 FFBDRO CN(c1ccccc1)c1ccc(C[NH2+]C[C@@H](O)[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000522962503 516360779 /nfs/dbraw/zinc/36/07/79/516360779.db2.gz HIEZYVBSAVADLM-OXJNMPFZSA-N 1 0 371.437 2.850 20 5 FFBDRO COC(=O)c1cc(C)nc(N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000561157829 516415210 /nfs/dbraw/zinc/41/52/10/516415210.db2.gz XGLZCCUOJWLWBM-YPMHNXCESA-N 1 0 350.419 2.617 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])c(NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)n1 ZINC000543790709 516430587 /nfs/dbraw/zinc/43/05/87/516430587.db2.gz ZJLUYLLPIWDZCI-LJQANCHMSA-N 1 0 356.426 2.656 20 5 FFBDRO C[NH+](C)C[C@@H](NC(=O)NCc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000554523111 516484560 /nfs/dbraw/zinc/48/45/60/516484560.db2.gz MHZSVOBWKTUYBY-QGZVFWFLSA-N 1 0 360.389 2.836 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(Nc2cccc3c2OCC[C@H]3[NH+](C)C)n1 ZINC000561326111 516525067 /nfs/dbraw/zinc/52/50/67/516525067.db2.gz QEYVMFHKWNHGND-CQSZACIVSA-N 1 0 372.381 2.905 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(Nc2cccc3c2OCC[C@@H]3[NH+](C)C)n1 ZINC000561326109 516525421 /nfs/dbraw/zinc/52/54/21/516525421.db2.gz QEYVMFHKWNHGND-AWEZNQCLSA-N 1 0 372.381 2.905 20 5 FFBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)NCC(=O)c2cccs2)cc1[N+](=O)[O-] ZINC000540480124 516574871 /nfs/dbraw/zinc/57/48/71/516574871.db2.gz HCMYPIQXVZNSTH-GFCCVEGCSA-N 1 0 361.423 2.614 20 5 FFBDRO O=[N+]([O-])c1ccc2c(ccnc2N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)c1 ZINC000518310327 516608092 /nfs/dbraw/zinc/60/80/92/516608092.db2.gz GFLONWNHGDUULN-QZTJIDSGSA-N 1 0 356.426 2.620 20 5 FFBDRO NC(=O)c1ccc(CN(CC[NH+]2CCCCCC2)C2CCC2)c([N+](=O)[O-])c1 ZINC000558170907 516626810 /nfs/dbraw/zinc/62/68/10/516626810.db2.gz GISCFEGWGHFUHU-UHFFFAOYSA-N 1 0 374.485 2.924 20 5 FFBDRO COc1cc(CN(C)[C@@H]2CC[N@@H+](C3CC3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000513467191 516635932 /nfs/dbraw/zinc/63/59/32/516635932.db2.gz RNYKMUUEESWBHY-CYBMUJFWSA-N 1 0 371.384 2.873 20 5 FFBDRO C[N@@H+]1CC[C@H](NC(=O)NCCc2cccc([N+](=O)[O-])c2)[C@H]1c1ccccc1 ZINC000536193839 516672393 /nfs/dbraw/zinc/67/23/93/516672393.db2.gz ULNOVEBZFLGNOY-RBUKOAKNSA-N 1 0 368.437 2.882 20 5 FFBDRO CCOc1ccc(C(=O)N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000561746951 516745476 /nfs/dbraw/zinc/74/54/76/516745476.db2.gz PKYREHZJSOSVTR-IIAWOOMASA-N 1 0 361.442 2.796 20 5 FFBDRO Cc1ccccc1C[C@H](C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000544573920 516818586 /nfs/dbraw/zinc/81/85/86/516818586.db2.gz BPUAXSYSTWUMTH-HNNXBMFYSA-N 1 0 362.451 2.898 20 5 FFBDRO COc1ccccc1[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)[NH+]1CCCC1 ZINC000532142254 516823754 /nfs/dbraw/zinc/82/37/54/516823754.db2.gz QDBLJVNASXWMPO-QGZVFWFLSA-N 1 0 370.409 2.565 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H]1C ZINC000524881122 516859226 /nfs/dbraw/zinc/85/92/26/516859226.db2.gz UTVCOVPJZIOBRY-WMLDXEAASA-N 1 0 371.441 2.725 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000525105569 516918197 /nfs/dbraw/zinc/91/81/97/516918197.db2.gz IYQRQKQRTFHKTD-NTZNESFSSA-N 1 0 355.822 2.614 20 5 FFBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CCc1nc2ccccc2c(=O)[nH]1 ZINC000558739222 516923186 /nfs/dbraw/zinc/92/31/86/516923186.db2.gz GUOJFTABJGRZQD-UHFFFAOYSA-N 1 0 352.394 2.961 20 5 FFBDRO CC[N@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@@H]1CCOC(C)(C)C1 ZINC000514635236 516973463 /nfs/dbraw/zinc/97/34/63/516973463.db2.gz NICQECAXWYXYAV-CYBMUJFWSA-N 1 0 365.430 2.821 20 5 FFBDRO CC[C@H](C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[N@H+](C)Cc1ccccc1 ZINC000555579140 516988812 /nfs/dbraw/zinc/98/88/12/516988812.db2.gz WLHJTNMJZCNKDG-QGZVFWFLSA-N 1 0 367.409 2.742 20 5 FFBDRO CC(C)c1n[nH]c(C(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)c1[N+](=O)[O-] ZINC000532461471 516988877 /nfs/dbraw/zinc/98/88/77/516988877.db2.gz NWCNZNZMRWRUMI-UHFFFAOYSA-N 1 0 351.451 2.634 20 5 FFBDRO CC1CC[NH+](CCNC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000525347529 517015237 /nfs/dbraw/zinc/01/52/37/517015237.db2.gz FNOWHMIHNPWVEH-UHFFFAOYSA-N 1 0 362.474 2.949 20 5 FFBDRO C[C@H]1CCC[N@H+](CCNC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000525355354 517017385 /nfs/dbraw/zinc/01/73/85/517017385.db2.gz RBAYAUZYTJRZAN-INIZCTEOSA-N 1 0 362.474 2.949 20 5 FFBDRO C[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1C(F)(F)F ZINC000537142855 517056105 /nfs/dbraw/zinc/05/61/05/517056105.db2.gz FRJGZJNIVLQBBK-ZYHUDNBSSA-N 1 0 358.320 2.522 20 5 FFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](c1nccn1C)C1CC1 ZINC000552087997 517072980 /nfs/dbraw/zinc/07/29/80/517072980.db2.gz YHJYNIHTMHVEFF-YVEFUNNKSA-N 1 0 357.414 2.786 20 5 FFBDRO COc1cc(C(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)cc([N+](=O)[O-])c1OC ZINC000525576144 517079115 /nfs/dbraw/zinc/07/91/15/517079115.db2.gz OBQVQIGRKBLSLY-CHWSQXEVSA-N 1 0 365.430 2.605 20 5 FFBDRO Cc1sc(C(=O)Nc2cccc(C[N@@H+]3CC[C@@H](O)C3)c2)cc1[N+](=O)[O-] ZINC000552201022 517137985 /nfs/dbraw/zinc/13/79/85/517137985.db2.gz YFEUUZNZXHUTFY-CQSZACIVSA-N 1 0 361.423 2.784 20 5 FFBDRO C[C@@H](CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1)N1CCc2sccc2C1 ZINC000541880186 517270253 /nfs/dbraw/zinc/27/02/53/517270253.db2.gz LVWARZPLZCPYKD-NSHDSACASA-N 1 0 361.423 2.539 20 5 FFBDRO Cn1c(-c2nc(-c3cccc(OCC[NH+](C)C)c3)no2)ccc1[N+](=O)[O-] ZINC000545690305 517332839 /nfs/dbraw/zinc/33/28/39/517332839.db2.gz ULWLYFGTQHGMRK-UHFFFAOYSA-N 1 0 357.370 2.591 20 5 FFBDRO COc1ccc(NC(=O)N(CC[NH+](C)C)C2CCCC2)cc1[N+](=O)[O-] ZINC000542030239 517347825 /nfs/dbraw/zinc/34/78/25/517347825.db2.gz RKODSHVPIYTSIR-UHFFFAOYSA-N 1 0 350.419 2.942 20 5 FFBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@H](c3ccncc3)C2)c([N+](=O)[O-])c1 ZINC000559638650 517355504 /nfs/dbraw/zinc/35/55/04/517355504.db2.gz HAFKHROVCNLYJP-HNNXBMFYSA-N 1 0 370.409 2.817 20 5 FFBDRO CCC[C@@H](C)[C@@H](CC)[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000552898760 517435067 /nfs/dbraw/zinc/43/50/67/517435067.db2.gz CMBFJFDUHZQHPM-CZUORRHYSA-N 1 0 357.476 2.678 20 5 FFBDRO COc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])[nH]2)[NH+]2CCCCC2)cc1 ZINC000515736454 517461788 /nfs/dbraw/zinc/46/17/88/517461788.db2.gz IWMUSCCDWIOGPK-QGZVFWFLSA-N 1 0 372.425 2.889 20 5 FFBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000556521442 517477299 /nfs/dbraw/zinc/47/72/99/517477299.db2.gz WVKAUKSAYNDZNK-GOEBONIOSA-N 1 0 361.398 2.536 20 5 FFBDRO CCCC[C@H](C)[C@@H](C)[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000515909233 517508150 /nfs/dbraw/zinc/50/81/50/517508150.db2.gz LEFDGXAKFBDHTJ-UONOGXRCSA-N 1 0 357.476 2.678 20 5 FFBDRO C[NH+](C)C[C@@H]1CCCN1C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000542365431 517523644 /nfs/dbraw/zinc/52/36/44/517523644.db2.gz LRFZVPBCZJYKFD-LBPRGKRZSA-N 1 0 357.863 2.893 20 5 FFBDRO COc1ccc([C@H](C)C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1 ZINC000538307403 517554448 /nfs/dbraw/zinc/55/44/48/517554448.db2.gz UFTXUHHRHKLGMU-OAHLLOKOSA-N 1 0 356.426 2.924 20 5 FFBDRO CC(C)C[N@@H+]1CCCC[C@H]1CNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000553170900 517557059 /nfs/dbraw/zinc/55/70/59/517557059.db2.gz FNIZTSWMQUHKQK-AWEZNQCLSA-N 1 0 359.430 2.588 20 5 FFBDRO O=[N+]([O-])c1ccccc1/C=C\CNC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000538414958 517610756 /nfs/dbraw/zinc/61/07/56/517610756.db2.gz SSXMFQFWWQCDGO-RACPOZDESA-N 1 0 367.449 2.835 20 5 FFBDRO O=[N+]([O-])c1ccccc1/C=C/CNC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000538414959 517611830 /nfs/dbraw/zinc/61/18/30/517611830.db2.gz SSXMFQFWWQCDGO-VMLCMGRWSA-N 1 0 367.449 2.835 20 5 FFBDRO CCNc1ccc(C(=O)Nc2ccnc(OCC[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000538443027 517619815 /nfs/dbraw/zinc/61/98/15/517619815.db2.gz NZMZVUQTDNEONL-UHFFFAOYSA-N 1 0 373.413 2.614 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H](C)[N@@H+]2CCc3ccccc3C2)n1 ZINC000553311785 517637600 /nfs/dbraw/zinc/63/76/00/517637600.db2.gz LPEHOWFBBAGSSZ-ZDUSSCGKSA-N 1 0 370.409 2.635 20 5 FFBDRO CS[C@@H]1CN(c2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H]1[NH+](C)C ZINC000533928442 517673227 /nfs/dbraw/zinc/67/32/27/517673227.db2.gz QQUMIOFKPNGYRY-JKSUJKDBSA-N 1 0 373.482 2.842 20 5 FFBDRO C[NH+](C)CCOc1cc(-c2noc(-c3cccc([N+](=O)[O-])c3)n2)ccn1 ZINC000546491988 517698454 /nfs/dbraw/zinc/69/84/54/517698454.db2.gz QBUDCVIVKFRMQW-UHFFFAOYSA-N 1 0 355.354 2.647 20 5 FFBDRO C[C@H]1CCC[N@H+](CCNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000546578802 517737996 /nfs/dbraw/zinc/73/79/96/517737996.db2.gz VIQPFVYITUXWNJ-ZDUSSCGKSA-N 1 0 351.422 2.860 20 5 FFBDRO CCN(C(=O)c1[nH]nc(C)c1[N+](=O)[O-])[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000521477125 517749209 /nfs/dbraw/zinc/74/92/09/517749209.db2.gz SDHYWDXZIUJTIZ-GDBMZVCRSA-N 1 0 371.441 2.924 20 5 FFBDRO Cc1cccc(C(=O)N(C)CCC[N@H+](C)Cc2ccncc2)c1[N+](=O)[O-] ZINC000556934687 517756391 /nfs/dbraw/zinc/75/63/91/517756391.db2.gz SYBHGQCUXLXQRL-UHFFFAOYSA-N 1 0 356.426 2.892 20 5 FFBDRO CCn1c(CC[NH3+])nnc1Sc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000534143531 517761141 /nfs/dbraw/zinc/76/11/41/517761141.db2.gz AFKHFGWSHIPVRT-UHFFFAOYSA-N 1 0 370.438 2.921 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](CO)c1cccc(F)c1 ZINC000542879145 517794032 /nfs/dbraw/zinc/79/40/32/517794032.db2.gz KKGCOOFOYUDCJP-QGZVFWFLSA-N 1 0 361.373 2.694 20 5 FFBDRO COc1cc(C[N@@H+]2CCC[C@@]2(C)CO)c([N+](=O)[O-])cc1OCC(F)F ZINC000546811344 517870175 /nfs/dbraw/zinc/87/01/75/517870175.db2.gz LKCVSVMYSVXXAN-INIZCTEOSA-N 1 0 360.357 2.594 20 5 FFBDRO COc1cc(CN2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c([N+](=O)[O-])cc1OC(F)F ZINC000521874738 517882217 /nfs/dbraw/zinc/88/22/17/517882217.db2.gz CNFVDSZWJQOFIN-DRZSPHRISA-N 1 0 371.384 2.764 20 5 FFBDRO COC(=O)COc1ccc(CN2CCc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000543093921 517903587 /nfs/dbraw/zinc/90/35/87/517903587.db2.gz ULSQTYZQACDFPA-UHFFFAOYSA-N 1 0 356.378 2.705 20 5 FFBDRO Cc1ccccc1C1(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000516965297 517948152 /nfs/dbraw/zinc/94/81/52/517948152.db2.gz OZDOPPUSUJJZTK-INIZCTEOSA-N 1 0 356.422 2.964 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000557331403 517960204 /nfs/dbraw/zinc/96/02/04/517960204.db2.gz WCSPHHGKIUKBIN-AEFFLSMTSA-N 1 0 360.458 2.838 20 5 FFBDRO Cn1cc([N+](=O)[O-])cc1-c1nc(-c2ccccc2OCC[NH+](C)C)no1 ZINC000547106574 517987539 /nfs/dbraw/zinc/98/75/39/517987539.db2.gz IZAFQWVNXXLULI-UHFFFAOYSA-N 1 0 357.370 2.591 20 5 FFBDRO COc1ccc(NC(=O)NCC[C@H](C)[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000543312262 518018980 /nfs/dbraw/zinc/01/89/80/518018980.db2.gz BCRXYYCCIMANCT-ZDUSSCGKSA-N 1 0 350.419 2.989 20 5 FFBDRO CCOc1cc(NC(=O)NC[C@H]2CCC[N@@H+]2C)c([N+](=O)[O-])cc1OCC ZINC000517115010 518031739 /nfs/dbraw/zinc/03/17/39/518031739.db2.gz ILDUOZCSBURRSB-GFCCVEGCSA-N 1 0 366.418 2.608 20 5 FFBDRO CCN1CCN(C(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000557525117 518053411 /nfs/dbraw/zinc/05/34/11/518053411.db2.gz CZTRGRHMZVGDCT-INIZCTEOSA-N 1 0 374.485 2.997 20 5 FFBDRO CC1=CC[N@H+](CCNC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000547282789 518056342 /nfs/dbraw/zinc/05/63/42/518056342.db2.gz DWHCYYUFTFHASZ-UHFFFAOYSA-N 1 0 370.356 2.970 20 5 FFBDRO CN1CCC([NH+]2CCC(Nc3ncnc4cccc([N+](=O)[O-])c43)CC2)CC1 ZINC000543438375 518090297 /nfs/dbraw/zinc/09/02/97/518090297.db2.gz NRFXHGINZSHOIV-UHFFFAOYSA-N 1 0 370.457 2.509 20 5 FFBDRO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000517268950 518099111 /nfs/dbraw/zinc/09/91/11/518099111.db2.gz RMCPFEAZJAFLOX-OAHLLOKOSA-N 1 0 374.441 2.516 20 5 FFBDRO CCC[N@H+](C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)c1ccc(Cl)cc1 ZINC000560968028 518102124 /nfs/dbraw/zinc/10/21/24/518102124.db2.gz ADBTUKDNICDSRF-AWEZNQCLSA-N 1 0 365.821 2.784 20 5 FFBDRO CCC[NH+]1CCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000522646615 518140382 /nfs/dbraw/zinc/14/03/82/518140382.db2.gz ZAKMBKGETPMZIT-UHFFFAOYSA-N 1 0 355.822 2.571 20 5 FFBDRO COc1ccc(CC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000517427766 518146401 /nfs/dbraw/zinc/14/64/01/518146401.db2.gz NRGUTMDCTLFTNM-INIZCTEOSA-N 1 0 361.442 2.623 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H]2C[C@H](c3ccccc3)C2)cc1 ZINC000581305956 518221890 /nfs/dbraw/zinc/22/18/90/518221890.db2.gz FTHPPPXWTVVBQZ-WKILWMFISA-N 1 0 360.435 2.904 20 5 FFBDRO Cc1ccc([C@H](C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)N(C)C)cc1 ZINC000584226835 518237082 /nfs/dbraw/zinc/23/70/82/518237082.db2.gz QSUZKNRITYLPQG-QUCCMNQESA-N 1 0 373.453 2.535 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CCc2cccc(Cl)c2)c1 ZINC000563939238 518238934 /nfs/dbraw/zinc/23/89/34/518238934.db2.gz KYCPLMQKCZGSKS-MRXNPFEDSA-N 1 0 350.802 2.820 20 5 FFBDRO C[NH+](C)CC(C)(C)CNc1ccc([N+](=O)[O-])c(N2CCOCC2)c1F ZINC000566924796 518267311 /nfs/dbraw/zinc/26/73/11/518267311.db2.gz UOLBGLIIJJFUBC-UHFFFAOYSA-N 1 0 354.426 2.570 20 5 FFBDRO C[C@H](C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000569778254 518283715 /nfs/dbraw/zinc/28/37/15/518283715.db2.gz DFGBIJKRRKBRHC-YJBOKZPZSA-N 1 0 355.438 2.987 20 5 FFBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000584372299 518306277 /nfs/dbraw/zinc/30/62/77/518306277.db2.gz QZGWEPVEOHDPJZ-QGZVFWFLSA-N 1 0 361.442 2.879 20 5 FFBDRO CC(C)C[C@@H]([NH3+])c1noc(CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])n1 ZINC000575868070 518319804 /nfs/dbraw/zinc/31/98/04/518319804.db2.gz OXUGKLJRJNZUTQ-SNVBAGLBSA-N 1 0 367.793 2.607 20 5 FFBDRO CC[N@@H+]1CCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000584546735 518392089 /nfs/dbraw/zinc/39/20/89/518392089.db2.gz OHUNVSZCASWJQF-LBPRGKRZSA-N 1 0 355.822 2.570 20 5 FFBDRO C[C@H](C(=O)NCc1ccccc1OCC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000567297526 518452330 /nfs/dbraw/zinc/45/23/30/518452330.db2.gz WCDGLGBMDBSPDO-HNNXBMFYSA-N 1 0 371.437 2.955 20 5 FFBDRO COc1cccc(C(C)(C)C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000570201846 518493559 /nfs/dbraw/zinc/49/35/59/518493559.db2.gz KNBIKFXHPUNWMH-KRWDZBQOSA-N 1 0 374.437 2.911 20 5 FFBDRO COc1ccc(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])cc1OC ZINC000564587680 518514977 /nfs/dbraw/zinc/51/49/77/518514977.db2.gz KHYAHIVRKYJQQS-UHFFFAOYSA-N 1 0 359.382 2.730 20 5 FFBDRO Cc1cc(C)c(S(=O)(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000570266664 518523514 /nfs/dbraw/zinc/52/35/14/518523514.db2.gz CERZYBRXPFUNEA-GJZGRUSLSA-N 1 0 367.471 2.507 20 5 FFBDRO CNC(=O)[C@H](CCSC)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000576380198 518563868 /nfs/dbraw/zinc/56/38/68/518563868.db2.gz HOCZEVUUKUOASW-HNNXBMFYSA-N 1 0 363.439 2.812 20 5 FFBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000576414765 518582369 /nfs/dbraw/zinc/58/23/69/518582369.db2.gz QDNRVXXWTGMRJE-AWEZNQCLSA-N 1 0 350.806 2.619 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000570479199 518627042 /nfs/dbraw/zinc/62/70/42/518627042.db2.gz CIAYKMNEJIKPOH-CYBMUJFWSA-N 1 0 368.336 2.726 20 5 FFBDRO CN(CCc1ccccc1[N+](=O)[O-])C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000586773224 518636428 /nfs/dbraw/zinc/63/64/28/518636428.db2.gz JKPVVXOZEJHRPQ-LJQANCHMSA-N 1 0 357.454 2.562 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CC2(Cc3ccccc3)CCCCC2)c1 ZINC000579346070 518636729 /nfs/dbraw/zinc/63/67/29/518636729.db2.gz YUZCVFKMDBOBIA-LJQANCHMSA-N 1 0 372.469 2.935 20 5 FFBDRO CC1(C)CC[C@H](C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c2ccccc21 ZINC000564848670 518650814 /nfs/dbraw/zinc/65/08/14/518650814.db2.gz FJBHXENBFAXRPK-GDBMZVCRSA-N 1 0 358.442 2.597 20 5 FFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000579376486 518651862 /nfs/dbraw/zinc/65/18/62/518651862.db2.gz SPDCCAOKOPDTNM-TZIWHRDSSA-N 1 0 367.449 2.809 20 5 FFBDRO COc1cccc([C@H]2C[C@H]([NH2+]C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)c1 ZINC000564860531 518658274 /nfs/dbraw/zinc/65/82/74/518658274.db2.gz PWICGJQHPXGWLR-JFIYKMOQSA-N 1 0 372.421 2.879 20 5 FFBDRO COc1ccc([C@H](C[NH+](C)C)NC(=O)c2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000586842759 518661185 /nfs/dbraw/zinc/66/11/85/518661185.db2.gz ZBKZVSXEDWBNEN-KRWDZBQOSA-N 1 0 373.409 2.645 20 5 FFBDRO Cc1cc([NH+]2CCCCCC2)ccc1NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000564868554 518664329 /nfs/dbraw/zinc/66/43/29/518664329.db2.gz TXLRODNYSQFVJE-GOSISDBHSA-N 1 0 373.457 2.953 20 5 FFBDRO Cc1c(NC(=O)N[C@@H](C)C[C@H](C)[NH3+])cc(Br)cc1[N+](=O)[O-] ZINC000564972763 518723726 /nfs/dbraw/zinc/72/37/26/518723726.db2.gz YQPAIEGGBQWZQR-YUMQZZPRSA-N 1 0 359.224 2.913 20 5 FFBDRO CCOc1cc(N2CC[NH+](C[C@H](O)C(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000582449708 518758349 /nfs/dbraw/zinc/75/83/49/518758349.db2.gz MQNNKFDUFGYHLL-KRWDZBQOSA-N 1 0 351.447 2.523 20 5 FFBDRO C[N@H+](Cc1ccccc1)C1CN(C(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000588311631 518774418 /nfs/dbraw/zinc/77/44/18/518774418.db2.gz JVWPXUMLOPTJJI-UHFFFAOYSA-N 1 0 354.410 2.621 20 5 FFBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1CN(C)Cc2ccccc21 ZINC000588640392 518793239 /nfs/dbraw/zinc/79/32/39/518793239.db2.gz UQJSQYWJJXVWII-GOSISDBHSA-N 1 0 368.437 2.965 20 5 FFBDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000582579893 518820774 /nfs/dbraw/zinc/82/07/74/518820774.db2.gz BJXYMDJOGMXULN-AWEZNQCLSA-N 1 0 373.457 2.602 20 5 FFBDRO CCn1nccc1N1CCC[C@@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1=O ZINC000582616341 518840774 /nfs/dbraw/zinc/84/07/74/518840774.db2.gz MOGYQWHVARZNRU-HZPDHXFCSA-N 1 0 369.425 2.584 20 5 FFBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000573805198 518845533 /nfs/dbraw/zinc/84/55/33/518845533.db2.gz ZTVJLZPWWYWGRV-ZJUUUORDSA-N 1 0 362.352 2.658 20 5 FFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@@H](O)COc1ccc(F)c(F)c1 ZINC000565219530 518848614 /nfs/dbraw/zinc/84/86/14/518848614.db2.gz YEEDBQMZKFESBH-PIGZYNQJSA-N 1 0 364.348 2.890 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCCC[N@H+](C)C2CCCCC2)n1 ZINC000568077011 518862675 /nfs/dbraw/zinc/86/26/75/518862675.db2.gz OMNBVNBAQJHTTI-UHFFFAOYSA-N 1 0 350.419 2.843 20 5 FFBDRO C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(F)c2ccccc21 ZINC000588972894 518886095 /nfs/dbraw/zinc/88/60/95/518886095.db2.gz QZAIUWIGCWKYEA-GXTWGEPZSA-N 1 0 358.373 2.795 20 5 FFBDRO CCC[C@@H]1C[NH2+]CCN1C(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000571047526 518902496 /nfs/dbraw/zinc/90/24/96/518902496.db2.gz BREZUCBQEJYMAC-DGCLKSJQSA-N 1 0 355.822 2.616 20 5 FFBDRO O=[N+]([O-])c1cncc(Cl)c1N1CCN(Cc2cn3ccccc3n2)CC1 ZINC000589105297 518915918 /nfs/dbraw/zinc/91/59/18/518915918.db2.gz DIPWFIFMHXSWBZ-UHFFFAOYSA-N 1 0 372.816 2.613 20 5 FFBDRO COCCC[N@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000565389958 518930080 /nfs/dbraw/zinc/93/00/80/518930080.db2.gz HUUVOEDERSXHCG-UHFFFAOYSA-N 1 0 364.183 2.668 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCCCC[C@@H]2C[C@H](C)O)c1 ZINC000589518595 519024198 /nfs/dbraw/zinc/02/41/98/519024198.db2.gz ZVZJQDJXLLWYLH-XJKSGUPXSA-N 1 0 350.415 2.897 20 5 FFBDRO Cc1ccc(OC[C@H](O)C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000574312432 519094163 /nfs/dbraw/zinc/09/41/63/519094163.db2.gz JQKODEVFKBNGPL-QGZVFWFLSA-N 1 0 360.410 2.620 20 5 FFBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1n1cccn1 ZINC000590196269 519171908 /nfs/dbraw/zinc/17/19/08/519171908.db2.gz IKFLNBAQCFRMBD-XHSDSOJGSA-N 1 0 350.806 2.953 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NCC1(SC)CC[NH+](C)CC1 ZINC000574489745 519178968 /nfs/dbraw/zinc/17/89/68/519178968.db2.gz QXWIVBCZCZOULG-UHFFFAOYSA-N 1 0 368.459 2.552 20 5 FFBDRO COc1ccccc1COC[C@@H](O)C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000571672252 519212857 /nfs/dbraw/zinc/21/28/57/519212857.db2.gz VLTOAVVRGRTNDW-KRWDZBQOSA-N 1 0 360.410 2.579 20 5 FFBDRO CCN1CC[NH+](C[C@@H](C)CNc2cc(OC)c(C)cc2[N+](=O)[O-])CC1 ZINC000590574662 519271976 /nfs/dbraw/zinc/27/19/76/519271976.db2.gz PVXBGQKSCONEPW-AWEZNQCLSA-N 1 0 350.463 2.597 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@H]2COc3ccc(Cl)cc32)c1 ZINC000577842253 519284339 /nfs/dbraw/zinc/28/43/39/519284339.db2.gz OXXFZVBJHQEZRV-BBRMVZONSA-N 1 0 364.785 2.711 20 5 FFBDRO Cc1ccnc([C@@H]2CC[N@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)c1 ZINC000580656753 519288972 /nfs/dbraw/zinc/28/89/72/519288972.db2.gz FFVOGGAYXMPJKW-NVXWUHKLSA-N 1 0 357.410 2.527 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H](C(C)C)[C@@H](CO)C(C)C)c1 ZINC000590659160 519305287 /nfs/dbraw/zinc/30/52/87/519305287.db2.gz AOENUISLRUEEDW-RDJZCZTQSA-N 1 0 352.431 2.760 20 5 FFBDRO CC(C)[C@@H](CO)[C@H]([NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C(C)C ZINC000590659173 519306525 /nfs/dbraw/zinc/30/65/25/519306525.db2.gz IOHKOYMZFFILNA-RDTXWAMCSA-N 1 0 352.431 2.745 20 5 FFBDRO CC(C)[C@H](C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1cccnc1 ZINC000583559547 519310220 /nfs/dbraw/zinc/31/02/20/519310220.db2.gz AOPLWYHMXOQMKF-IRXDYDNUSA-N 1 0 359.426 2.759 20 5 FFBDRO CC(C)[C@H](C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1cccnc1 ZINC000583559548 519310573 /nfs/dbraw/zinc/31/05/73/519310573.db2.gz AOPLWYHMXOQMKF-SJORKVTESA-N 1 0 359.426 2.759 20 5 FFBDRO CC(C)(C)[C@@H]1OCCC[C@H]1C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000566117023 519311288 /nfs/dbraw/zinc/31/12/88/519311288.db2.gz LMWDPULFAALSQR-YXJHDRRASA-N 1 0 366.458 2.765 20 5 FFBDRO O=C(CC[NH2+][C@H]1CCO[C@@H](c2ccncc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000566119760 519315487 /nfs/dbraw/zinc/31/54/87/519315487.db2.gz CGWPLJCVZXGFNV-MAUKXSAKSA-N 1 0 370.409 2.828 20 5 FFBDRO C[C@@H]1C[C@@H](C)N(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C[C@H]1C[NH3+] ZINC000574758371 519317104 /nfs/dbraw/zinc/31/71/04/519317104.db2.gz XGNAANILUZFVPK-BFYDXBDKSA-N 1 0 374.485 2.643 20 5 FFBDRO O=[N+]([O-])c1cnc(Sc2nnc([C@@H]3CCC[NH2+]C3)n2C2CC2)c(F)c1 ZINC000571887099 519329917 /nfs/dbraw/zinc/32/99/17/519329917.db2.gz KIWFYELQSDLANY-SECBINFHSA-N 1 0 364.406 2.674 20 5 FFBDRO CCO[C@H]1C[C@@H]([NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C12CCCC2 ZINC000590739519 519342082 /nfs/dbraw/zinc/34/20/82/519342082.db2.gz WAVYGNDBHZAWAH-MSOLQXFVSA-N 1 0 373.453 2.811 20 5 FFBDRO COc1ccc(NC(=O)CC[N@H+](C)Cc2ccc(C)cn2)c([N+](=O)[O-])c1 ZINC000590754378 519351521 /nfs/dbraw/zinc/35/15/21/519351521.db2.gz CJWYLPFCLLRJBX-UHFFFAOYSA-N 1 0 358.398 2.767 20 5 FFBDRO CC1CC[NH+](CCNc2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)CC1 ZINC000583659192 519362737 /nfs/dbraw/zinc/36/27/37/519362737.db2.gz IQZUTKRYDCBOGD-UHFFFAOYSA-N 1 0 366.437 2.714 20 5 FFBDRO C[C@@]1(C[NH3+])CCN(C(=O)c2cc(F)cc3c2[nH]c2ccc(F)cc2c3=O)C1 ZINC000566206106 519369205 /nfs/dbraw/zinc/36/92/05/519369205.db2.gz QEWLDAOTGJEROA-FQEVSTJZSA-N 1 0 371.387 2.770 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]2)c1C ZINC000578056173 519394123 /nfs/dbraw/zinc/39/41/23/519394123.db2.gz YLXZHLLBPSMSSK-HUUCEWRRSA-N 1 0 367.471 2.507 20 5 FFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC000580876853 519402221 /nfs/dbraw/zinc/40/22/21/519402221.db2.gz MEPHNDSXQKNFCO-OAHLLOKOSA-N 1 0 368.437 2.892 20 5 FFBDRO CC1(C)CC[C@H](C[N@@H+]2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)O1 ZINC000591028427 519484349 /nfs/dbraw/zinc/48/43/49/519484349.db2.gz RBCHEZJDMPKLGS-OAHLLOKOSA-N 1 0 373.457 2.941 20 5 FFBDRO C[C@H](C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH+]1CCCCCC1 ZINC000583903929 519492159 /nfs/dbraw/zinc/49/21/59/519492159.db2.gz SJNDFBYLEXPKFE-CQSZACIVSA-N 1 0 358.442 2.999 20 5 FFBDRO CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 ZINC000566552992 519547374 /nfs/dbraw/zinc/54/73/74/519547374.db2.gz CSQNHMYKLNCIPQ-CQSZACIVSA-N 1 0 365.430 2.558 20 5 FFBDRO COc1ccc(NC(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000591297648 519579692 /nfs/dbraw/zinc/57/96/92/519579692.db2.gz VVVJZOAYRHTUPB-ZIAGYGMSSA-N 1 0 362.430 2.847 20 5 FFBDRO O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000591297623 519580090 /nfs/dbraw/zinc/58/00/90/519580090.db2.gz KMSCETHDJRUEDZ-SKDRFNHKSA-N 1 0 358.320 2.829 20 5 FFBDRO COc1cc(CN[C@@H](C)C[C@H](C)[NH3+])c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000566620094 519582095 /nfs/dbraw/zinc/58/20/95/519582095.db2.gz MCQSNKSMSPQZFR-UWVGGRQHSA-N 1 0 365.352 2.760 20 5 FFBDRO CC[C@H]1CN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000591306378 519582455 /nfs/dbraw/zinc/58/24/55/519582455.db2.gz BDHDAGHIKHRVJH-TVQRCGJNSA-N 1 0 371.235 2.948 20 5 FFBDRO CCc1ccc(S(=O)(=O)N2CC[C@H](C[NH+](CC)CC)C2)cc1[N+](=O)[O-] ZINC000572398047 519595189 /nfs/dbraw/zinc/59/51/89/519595189.db2.gz VQFMINSFARVZGD-CQSZACIVSA-N 1 0 369.487 2.510 20 5 FFBDRO NC(=O)c1cccc([N+](=O)[O-])c1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000591459183 519628965 /nfs/dbraw/zinc/62/89/65/519628965.db2.gz RRAMBYWUYSTQBZ-UHFFFAOYSA-N 1 0 360.458 2.786 20 5 FFBDRO C[C@H](NC(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000599909293 519943281 /nfs/dbraw/zinc/94/32/81/519943281.db2.gz XJSNTVSKPIPCPN-JKOKRWQUSA-N 1 0 374.363 2.825 20 5 FFBDRO COC(=O)C1(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000612403790 519943961 /nfs/dbraw/zinc/94/39/61/519943961.db2.gz CSBGVOAHJDPFIB-UHFFFAOYSA-N 1 0 372.425 2.818 20 5 FFBDRO CC(C)(C(=O)NCCOc1ccc([N+](=O)[O-])cc1)[C@@H]([NH3+])c1ccccc1 ZINC000591575883 519956617 /nfs/dbraw/zinc/95/66/17/519956617.db2.gz GMKHOMNSKCJVMB-KRWDZBQOSA-N 1 0 357.410 2.816 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC(C)([NH+]2CCCC2)CC1 ZINC000602950777 519989386 /nfs/dbraw/zinc/98/93/86/519989386.db2.gz MZEIMKHDUYNNTJ-UHFFFAOYSA-N 1 0 360.458 2.792 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N(C2CC2)C2CC[NH2+]CC2)cc1SC ZINC000591681191 519996552 /nfs/dbraw/zinc/99/65/52/519996552.db2.gz WHPPPNPMWAVSIU-UHFFFAOYSA-N 1 0 365.455 2.682 20 5 FFBDRO CCC1([NH+](C)C)CCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000602967010 519997434 /nfs/dbraw/zinc/99/74/34/519997434.db2.gz ZVUDFDUVURZRFY-KRWDZBQOSA-N 1 0 360.458 2.506 20 5 FFBDRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000591685125 519998585 /nfs/dbraw/zinc/99/85/85/519998585.db2.gz XJDSQRDSELNENZ-ZYHUDNBSSA-N 1 0 370.247 2.534 20 5 FFBDRO C[NH+](C)C1CCC(NC(=O)c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000600030761 520007807 /nfs/dbraw/zinc/00/78/07/520007807.db2.gz SANWMLHIPZQEPG-UHFFFAOYSA-N 1 0 370.247 2.960 20 5 FFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H](C)C(=O)OC(C)(C)C ZINC000594512975 520010905 /nfs/dbraw/zinc/01/09/05/520010905.db2.gz KAYONHVHNZRQJA-CHWSQXEVSA-N 1 0 365.430 2.879 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]Cc1ccccc1N1CCCC1 ZINC000591727969 520014685 /nfs/dbraw/zinc/01/46/85/520014685.db2.gz QXBJMPSMVFNYDW-QGZVFWFLSA-N 1 0 371.437 2.725 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCCc2ccc(Cl)cc2Cl)c1 ZINC000591748309 520021179 /nfs/dbraw/zinc/02/11/79/520021179.db2.gz KZKPPXDLAAEYDG-AWEZNQCLSA-N 1 0 373.240 2.681 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@@H]2COc3c2cccc3Cl)c1 ZINC000591753809 520023337 /nfs/dbraw/zinc/02/33/37/520023337.db2.gz LLASVOUFTDWSPO-BLLLJJGKSA-N 1 0 364.785 2.711 20 5 FFBDRO CCc1cc(NC[C@H]2C[C@@H]([NH+](C)C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000594590817 520043135 /nfs/dbraw/zinc/04/31/35/520043135.db2.gz CPYXSXDUTBZIIC-XFHMXUHZSA-N 1 0 355.442 2.788 20 5 FFBDRO O=[N+]([O-])c1cc(C[NH+](CCO)CCO)ccc1Oc1ccccc1Cl ZINC000600179832 520105030 /nfs/dbraw/zinc/10/50/30/520105030.db2.gz ZCHFPXWUAMIRFV-UHFFFAOYSA-N 1 0 366.801 2.827 20 5 FFBDRO COC(=O)[C@]1(OC)CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000600192542 520113211 /nfs/dbraw/zinc/11/32/11/520113211.db2.gz QNNDQVUOVRURLM-SFHVURJKSA-N 1 0 360.366 2.619 20 5 FFBDRO Cn1cc(CC[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])c2ccccc21 ZINC000594733473 520121981 /nfs/dbraw/zinc/12/19/81/520121981.db2.gz VXCSBEBVEKUNIS-MRXNPFEDSA-N 1 0 369.421 2.659 20 5 FFBDRO CCn1ccc(C[N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)c1 ZINC000616786233 520139518 /nfs/dbraw/zinc/13/95/18/520139518.db2.gz PQPJQQHBAFVDAB-UHFFFAOYSA-N 1 0 360.414 2.885 20 5 FFBDRO CCCN(C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@H]1CC[N@H+](C)C1 ZINC000592024735 520140838 /nfs/dbraw/zinc/14/08/38/520140838.db2.gz YBHTZBVMPLNQMB-INIZCTEOSA-N 1 0 373.457 2.744 20 5 FFBDRO CC(C)[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000600227976 520140983 /nfs/dbraw/zinc/14/09/83/520140983.db2.gz SAKRLXJQHFWAJP-QGZVFWFLSA-N 1 0 356.426 2.906 20 5 FFBDRO CN(c1ccccc1)c1ccc(C[NH2+][C@@H]2CC(=O)N(C)C2)cc1[N+](=O)[O-] ZINC000608861154 520146569 /nfs/dbraw/zinc/14/65/69/520146569.db2.gz YGMASCPDPREXQT-OAHLLOKOSA-N 1 0 354.410 2.683 20 5 FFBDRO C[NH+]1CCC2(CCN(C(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)C2)CC1 ZINC000597667531 520165589 /nfs/dbraw/zinc/16/55/89/520165589.db2.gz QHYYYZZVPZEYRE-UHFFFAOYSA-N 1 0 369.368 2.754 20 5 FFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]Cc1nn(C)c2ccccc12 ZINC000612829250 520171559 /nfs/dbraw/zinc/17/15/59/520171559.db2.gz LQJDWHHKNDNWAH-CYBMUJFWSA-N 1 0 367.409 2.988 20 5 FFBDRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1c[nH]c3ccc([N+](=O)[O-])cc13)C2 ZINC000597711585 520191711 /nfs/dbraw/zinc/19/17/11/520191711.db2.gz VHFCUAKZHPNQIC-LJQANCHMSA-N 1 0 356.426 2.563 20 5 FFBDRO CC(C)[NH2+][C@@H]1CCCN(C(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000609135273 520201944 /nfs/dbraw/zinc/20/19/44/520201944.db2.gz CBHADKVKMGYPBQ-OAHLLOKOSA-N 1 0 371.441 2.598 20 5 FFBDRO C[N@H+](CCN1CCN(c2ccsc2[N+](=O)[O-])CC1)Cc1ccccc1 ZINC000609150158 520210093 /nfs/dbraw/zinc/21/00/93/520210093.db2.gz RTZBZDXAPLCZSZ-UHFFFAOYSA-N 1 0 360.483 2.910 20 5 FFBDRO C[NH+](C)CCOc1ccc(CCNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000609182154 520223388 /nfs/dbraw/zinc/22/33/88/520223388.db2.gz DVLLLHRDOWSNSD-UHFFFAOYSA-N 1 0 357.410 2.508 20 5 FFBDRO COc1ccccc1CC[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000609194742 520225684 /nfs/dbraw/zinc/22/56/84/520225684.db2.gz HQKTVUSXASZKOL-KRWDZBQOSA-N 1 0 360.410 2.518 20 5 FFBDRO COc1cc([N+](=O)[O-])cn(Cc2cccc(C[NH+]3CCCCC3)c2)c1=O ZINC000603360386 520232486 /nfs/dbraw/zinc/23/24/86/520232486.db2.gz ZEEJRSXJZOXNHC-UHFFFAOYSA-N 1 0 357.410 2.799 20 5 FFBDRO C[C@@H]1COCC[N@@H+]1C1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000603403877 520249950 /nfs/dbraw/zinc/24/99/50/520249950.db2.gz WIXMIBBWCAJVCI-CQSZACIVSA-N 1 0 356.426 2.833 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCC(=O)NCc1ccccc1 ZINC000595015479 520256803 /nfs/dbraw/zinc/25/68/03/520256803.db2.gz OADXCOAVQBQMOQ-AWEZNQCLSA-N 1 0 357.410 2.961 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCCNC(=O)c1occc1C ZINC000595019914 520258805 /nfs/dbraw/zinc/25/88/05/520258805.db2.gz SFEFWCDDXIGKBI-CYBMUJFWSA-N 1 0 361.398 2.976 20 5 FFBDRO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)[C@H]1n1cccn1 ZINC000595039613 520265472 /nfs/dbraw/zinc/26/54/72/520265472.db2.gz UHAUJKVHXNZJRD-PWUKJLEFSA-N 1 0 360.414 2.869 20 5 FFBDRO O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000600470719 520279314 /nfs/dbraw/zinc/27/93/14/520279314.db2.gz ICDZZVCYILPDBF-KRWDZBQOSA-N 1 0 372.469 2.942 20 5 FFBDRO CC[NH+]1CCC(n2nccc2NC(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000609447626 520315364 /nfs/dbraw/zinc/31/53/64/520315364.db2.gz YKBGLWSRHYOGAO-UHFFFAOYSA-N 1 0 361.377 2.840 20 5 FFBDRO COCC[NH2+]CCNC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000592317702 520331976 /nfs/dbraw/zinc/33/19/76/520331976.db2.gz NHHNICAIUGOFLJ-UHFFFAOYSA-N 1 0 367.471 2.595 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N[C@@H]3CCC[NH2+]CC3)cc2[N+](=O)[O-])C1 ZINC000592330549 520338674 /nfs/dbraw/zinc/33/86/74/520338674.db2.gz RXWJJVZLWLCGSY-GDBMZVCRSA-N 1 0 360.458 2.703 20 5 FFBDRO CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Br)CC[C@@H]1[NH3+] ZINC000592331813 520339055 /nfs/dbraw/zinc/33/90/55/520339055.db2.gz ADDKDFQZGUWMGN-RNCFNFMXSA-N 1 0 356.220 2.557 20 5 FFBDRO Cc1cc(C(=O)N2CCC[C@@H]2c2nc([C@H]3CCC[NH2+]3)no2)ccc1[N+](=O)[O-] ZINC000592356658 520347270 /nfs/dbraw/zinc/34/72/70/520347270.db2.gz CJSNJENVGALMIW-UKRRQHHQSA-N 1 0 371.397 2.688 20 5 FFBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000595222325 520356765 /nfs/dbraw/zinc/35/67/65/520356765.db2.gz VEVPKOFOZLGYKL-INIZCTEOSA-N 1 0 360.458 2.635 20 5 FFBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000595222328 520356976 /nfs/dbraw/zinc/35/69/76/520356976.db2.gz VEVPKOFOZLGYKL-MRXNPFEDSA-N 1 0 360.458 2.635 20 5 FFBDRO COc1cc(C(=O)N2CC[C@H](c3cccc(F)c3)[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000595224842 520359353 /nfs/dbraw/zinc/35/93/53/520359353.db2.gz IEIPVCLQRDAXLT-HZPDHXFCSA-N 1 0 373.384 2.700 20 5 FFBDRO COc1cc(C(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)cc([N+](=O)[O-])c1C ZINC000595226140 520361340 /nfs/dbraw/zinc/36/13/40/520361340.db2.gz QGOPXGUEBIPPMH-ZBFHGGJFSA-N 1 0 361.442 2.906 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000595255764 520374128 /nfs/dbraw/zinc/37/41/28/520374128.db2.gz CVJZTMYVLCFGCD-SJLPKXTDSA-N 1 0 357.385 2.918 20 5 FFBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000595268405 520379998 /nfs/dbraw/zinc/37/99/98/520379998.db2.gz JBJBMQHOTPFOQG-IAGOWNOFSA-N 1 0 369.421 2.626 20 5 FFBDRO C[C@H]([NH3+])[C@H]1CN(Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CCO1 ZINC000592428621 520388296 /nfs/dbraw/zinc/38/82/96/520388296.db2.gz IROUJFBXXHOXKR-MGPUTAFESA-N 1 0 370.453 2.911 20 5 FFBDRO C[C@H]([NH3+])[C@@H]1CN(Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CCO1 ZINC000592428623 520388417 /nfs/dbraw/zinc/38/84/17/520388417.db2.gz IROUJFBXXHOXKR-YWZLYKJASA-N 1 0 370.453 2.911 20 5 FFBDRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595298057 520392209 /nfs/dbraw/zinc/39/22/09/520392209.db2.gz NZNARZINWSZKAL-IYBDPMFKSA-N 1 0 364.465 2.724 20 5 FFBDRO Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CC[C@@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000592471490 520403670 /nfs/dbraw/zinc/40/36/70/520403670.db2.gz MCKOUYMGZWODON-KXBFYZLASA-N 1 0 368.437 2.864 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000598061412 520405207 /nfs/dbraw/zinc/40/52/07/520405207.db2.gz DDQUBRIPAUHBLE-UHFFFAOYSA-N 1 0 368.437 2.940 20 5 FFBDRO Cc1c(NC(=O)[C@H](C)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cccc1[N+](=O)[O-] ZINC000592479178 520407444 /nfs/dbraw/zinc/40/74/44/520407444.db2.gz UELHPKXRGZVSIC-YQQAZPJKSA-N 1 0 360.458 2.694 20 5 FFBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000609708516 520412291 /nfs/dbraw/zinc/41/22/91/520412291.db2.gz DPHCIQPOGYNPLF-MRXNPFEDSA-N 1 0 371.503 2.802 20 5 FFBDRO CN(C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CC[N@@H+](C2CC2)C1 ZINC000609724564 520414487 /nfs/dbraw/zinc/41/44/87/520414487.db2.gz ARGNINDFBWCDGA-AWEZNQCLSA-N 1 0 367.833 2.712 20 5 FFBDRO CC(C)[NH+]1CCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000609731077 520416402 /nfs/dbraw/zinc/41/64/02/520416402.db2.gz LIRKTKORESKAAJ-UHFFFAOYSA-N 1 0 355.822 2.570 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21 ZINC000600747891 520444029 /nfs/dbraw/zinc/44/40/29/520444029.db2.gz QMOSEGDBGFNIOK-OYYCAODRSA-N 1 0 374.824 2.916 20 5 FFBDRO CC[C@@H]1CN(C(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000592544331 520451732 /nfs/dbraw/zinc/45/17/32/520451732.db2.gz BWFRAJPOIJRZOF-LOWVWBTDSA-N 1 0 355.822 2.601 20 5 FFBDRO CCn1cc([N+](=O)[O-])c(C(=O)N(c2ccccc2)C2CC[NH+](C)CC2)n1 ZINC000617368901 520459039 /nfs/dbraw/zinc/45/90/39/520459039.db2.gz IRYMDHBOPLGHKS-UHFFFAOYSA-N 1 0 357.414 2.552 20 5 FFBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC(C[NH+]3CCCCCC3)CC2)n1 ZINC000617405016 520478222 /nfs/dbraw/zinc/47/82/22/520478222.db2.gz KQNCICJEALYMHT-UHFFFAOYSA-N 1 0 363.462 2.539 20 5 FFBDRO C[C@H]([NH2+][C@H](CO)[C@@H](C)c1ccccc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000613389173 520479222 /nfs/dbraw/zinc/47/92/22/520479222.db2.gz KDLCXKDYFPSDIQ-GRDNDAEWSA-N 1 0 357.410 2.676 20 5 FFBDRO C[C@H]([NH2+][C@H](CO)[C@@H](C)c1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000613388995 520479268 /nfs/dbraw/zinc/47/92/68/520479268.db2.gz AYDMBNKEKICCSL-SUNYJGFJSA-N 1 0 357.410 2.676 20 5 FFBDRO C[C@H](c1ccccc1)[C@H](CO)[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000613389606 520479648 /nfs/dbraw/zinc/47/96/48/520479648.db2.gz ORDOHZGWUZTHOO-DYVFJYSZSA-N 1 0 368.393 2.899 20 5 FFBDRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000609984188 520496569 /nfs/dbraw/zinc/49/65/69/520496569.db2.gz QSZCKIZXORNEOA-IUODEOHRSA-N 1 0 369.849 2.814 20 5 FFBDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000598261050 520525427 /nfs/dbraw/zinc/52/54/27/520525427.db2.gz DCGDYRZDIKHNNV-HNNXBMFYSA-N 1 0 371.441 2.631 20 5 FFBDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000598261053 520525738 /nfs/dbraw/zinc/52/57/38/520525738.db2.gz DCGDYRZDIKHNNV-OAHLLOKOSA-N 1 0 371.441 2.631 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000604446403 520565545 /nfs/dbraw/zinc/56/55/45/520565545.db2.gz LUXNZRHNOVOPBV-STQMWFEESA-N 1 0 369.849 2.864 20 5 FFBDRO CCOc1cc(C[NH2+][C@@H](C2CC2)C2(CO)CCOCC2)ccc1[N+](=O)[O-] ZINC000595587913 520573559 /nfs/dbraw/zinc/57/35/59/520573559.db2.gz HDBJCAJVFMARNW-SFHVURJKSA-N 1 0 364.442 2.651 20 5 FFBDRO CC[NH+](CC)CCCNC(=O)C1CCN(c2ccc([N+](=O)[O-])s2)CC1 ZINC000610275424 520618617 /nfs/dbraw/zinc/61/86/17/520618617.db2.gz KKXHHWYEKDFQBM-UHFFFAOYSA-N 1 0 368.503 2.721 20 5 FFBDRO C[C@H](CC[NH+]1CCN(C)CC1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000613704715 520627607 /nfs/dbraw/zinc/62/76/07/520627607.db2.gz MONWOAUGUNFUPG-GFCCVEGCSA-N 1 0 371.279 2.795 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H](C)c1nccn1C ZINC000598459223 520627817 /nfs/dbraw/zinc/62/78/17/520627817.db2.gz FUCYOVHVLQLGDM-VHSXEESVSA-N 1 0 352.778 2.626 20 5 FFBDRO COc1c(C(=O)NC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000592881119 520632026 /nfs/dbraw/zinc/63/20/26/520632026.db2.gz KQVSXBLMSKPBBV-WBVHZDCISA-N 1 0 369.421 2.679 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@H]2CCC[C@@H]2Cc2cnn(C)c2)c1 ZINC000595772379 520712814 /nfs/dbraw/zinc/71/28/14/520712814.db2.gz RXUFNRFGTZRKDF-PBHICJAKSA-N 1 0 372.425 2.616 20 5 FFBDRO CC[C@@H]1COC(C)(C)C[N@@H+]1CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000593056274 520713447 /nfs/dbraw/zinc/71/34/47/520713447.db2.gz DQHFURNIMLMQNV-CYBMUJFWSA-N 1 0 365.430 2.821 20 5 FFBDRO Nc1c(C(=O)N2CCC(C[NH+]3CCCCCC3)CC2)cccc1[N+](=O)[O-] ZINC000610521077 520725013 /nfs/dbraw/zinc/72/50/13/520725013.db2.gz UFDIORMBYKOUOF-UHFFFAOYSA-N 1 0 360.458 2.905 20 5 FFBDRO COC(=O)c1ccnc(NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000598591715 520732348 /nfs/dbraw/zinc/73/23/48/520732348.db2.gz AJHQYLBQJIMHGE-LBPRGKRZSA-N 1 0 350.419 2.699 20 5 FFBDRO O=C(Nc1ccc(C[NH+]2CCC(O)CC2)cc1)c1c(F)cccc1[N+](=O)[O-] ZINC000601391506 520770455 /nfs/dbraw/zinc/77/04/55/520770455.db2.gz RMSORGNAVRSCQG-UHFFFAOYSA-N 1 0 373.384 2.943 20 5 FFBDRO COc1cc(C[N@@H+]2C[C@@H](C)[C@@](C)(CO)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000595869493 520778964 /nfs/dbraw/zinc/77/89/64/520778964.db2.gz DLKDUKGQIDYTCR-PIGZYNQJSA-N 1 0 374.384 2.698 20 5 FFBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000595901451 520808180 /nfs/dbraw/zinc/80/81/80/520808180.db2.gz WHJYQDZABYKXMV-ZBFHGGJFSA-N 1 0 360.458 2.633 20 5 FFBDRO CCC1([NH+](C)C)CCN(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)CC1 ZINC000601503547 520816138 /nfs/dbraw/zinc/81/61/38/520816138.db2.gz JMTXAWSBOUDJPA-UHFFFAOYSA-N 1 0 369.487 2.707 20 5 FFBDRO Cc1c(C(=O)N2CC[C@@H](OCC[NH+]3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000610733127 520820315 /nfs/dbraw/zinc/82/03/15/520820315.db2.gz AXFIGCSAVZFGNW-MRXNPFEDSA-N 1 0 361.442 2.620 20 5 FFBDRO Cc1ccc(C(=O)N2CC[C@H](OCC[NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000610733159 520820554 /nfs/dbraw/zinc/82/05/54/520820554.db2.gz WUMVHNAXBQNVPO-KRWDZBQOSA-N 1 0 361.442 2.620 20 5 FFBDRO CC1CCN(c2ccc(C(=O)NCC3([NH3+])CCCC3)cc2[N+](=O)[O-])CC1 ZINC000595940505 520833157 /nfs/dbraw/zinc/83/31/57/520833157.db2.gz FCDAQIYLPHVHGN-UHFFFAOYSA-N 1 0 360.458 2.832 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](C[NH+](C)C)Oc3ccccc32)c1 ZINC000610761804 520833715 /nfs/dbraw/zinc/83/37/15/520833715.db2.gz DAHKIJFIAZVFLV-CQSZACIVSA-N 1 0 355.394 2.873 20 5 FFBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000595962420 520839691 /nfs/dbraw/zinc/83/96/91/520839691.db2.gz RAHKEKHUOIIWQW-HNNXBMFYSA-N 1 0 363.483 2.925 20 5 FFBDRO CCC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])C[C@H]1COc2ccccc2O1 ZINC000610782878 520841344 /nfs/dbraw/zinc/84/13/44/520841344.db2.gz LENAXISBHUOYJS-HNNXBMFYSA-N 1 0 360.414 2.652 20 5 FFBDRO CNc1ccc(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000595966708 520841720 /nfs/dbraw/zinc/84/17/20/520841720.db2.gz MKSKHAHRNJSWIE-NVXWUHKLSA-N 1 0 372.400 2.651 20 5 FFBDRO O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000601560924 520842006 /nfs/dbraw/zinc/84/20/06/520842006.db2.gz ZCFJREVTYSFVBY-XJKSGUPXSA-N 1 0 372.450 2.932 20 5 FFBDRO O=C(N[C@H](C1CC1)C1CCOCC1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000593280163 520876943 /nfs/dbraw/zinc/87/69/43/520876943.db2.gz FVXBKDBBHHIZOQ-GOSISDBHSA-N 1 0 370.409 2.716 20 5 FFBDRO C[C@@H](NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)C1CC[NH+](C)CC1 ZINC000610880441 520890789 /nfs/dbraw/zinc/89/07/89/520890789.db2.gz RRLGRBQAPPQDLJ-CQSZACIVSA-N 1 0 360.458 2.999 20 5 FFBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+][C@H]1CCO[C@]3(CCSC3)C1)OCCO2 ZINC000610890041 520894620 /nfs/dbraw/zinc/89/46/20/520894620.db2.gz UYMJCDOUVDRAAB-SUMWQHHRSA-N 1 0 366.439 2.510 20 5 FFBDRO COc1cc(N2CCC[N@H+](C[C@@H]3CCCO3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596078618 520899640 /nfs/dbraw/zinc/89/96/40/520899640.db2.gz XWPQVJZPSFSFSP-ZDUSSCGKSA-N 1 0 369.849 2.948 20 5 FFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CNc2ccccc2C1 ZINC000593318226 520904826 /nfs/dbraw/zinc/90/48/26/520904826.db2.gz BSCOXNWHANSKIO-CZUORRHYSA-N 1 0 354.410 2.938 20 5 FFBDRO COCC[NH+]1CCC(Nc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000596090836 520906022 /nfs/dbraw/zinc/90/60/22/520906022.db2.gz XBBQRSQPTXINHZ-UHFFFAOYSA-N 1 0 358.236 2.880 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC3(CCCC3)OC[C@@H]2C[NH+](C)C)c1 ZINC000598892798 520906960 /nfs/dbraw/zinc/90/69/60/520906960.db2.gz KUMOGWPBBCLHAJ-HNNXBMFYSA-N 1 0 361.442 2.619 20 5 FFBDRO COC(=O)c1c(Cl)c(Nc2cnn(CC[NH+](C)C)c2)ccc1[N+](=O)[O-] ZINC000596097447 520909072 /nfs/dbraw/zinc/90/90/72/520909072.db2.gz OIKKNWMAWHRJMO-UHFFFAOYSA-N 1 0 367.793 2.537 20 5 FFBDRO COC(=O)c1c(Cl)c(NC[C@@]2([NH+](C)C)CCSC2)ccc1[N+](=O)[O-] ZINC000596150010 520940247 /nfs/dbraw/zinc/94/02/47/520940247.db2.gz TYHINOZPAOQTDZ-HNNXBMFYSA-N 1 0 373.862 2.884 20 5 FFBDRO COC(=O)c1c(Cl)c(N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000596150992 520940817 /nfs/dbraw/zinc/94/08/17/520940817.db2.gz GWDIBOVKSOTSEH-WDEREUQCSA-N 1 0 355.822 2.811 20 5 FFBDRO CC(C)[NH+]1CCC(N2CCN(c3c(Cl)cncc3[N+](=O)[O-])CC2)CC1 ZINC000596169433 520948483 /nfs/dbraw/zinc/94/84/83/520948483.db2.gz WUEHOOAKIKGREV-UHFFFAOYSA-N 1 0 367.881 2.638 20 5 FFBDRO COc1cc(NC2CC[NH+]([C@@H]3CCOC3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596167574 520949035 /nfs/dbraw/zinc/94/90/35/520949035.db2.gz LONGCRXXILBPMW-GFCCVEGCSA-N 1 0 355.822 2.922 20 5 FFBDRO CCC1([NH+](C)C)CCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC1 ZINC000601791664 520954832 /nfs/dbraw/zinc/95/48/32/520954832.db2.gz OKMIALOIEJGEIK-UHFFFAOYSA-N 1 0 371.441 2.727 20 5 FFBDRO C[NH+](C)[C@@H](CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-])c1ccsc1 ZINC000593403928 520969188 /nfs/dbraw/zinc/96/91/88/520969188.db2.gz SHYVDGUVAUIIQV-HNNXBMFYSA-N 1 0 351.403 2.757 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3CCOC[C@H]3O)o2)c(Cl)c1 ZINC000599011543 520979173 /nfs/dbraw/zinc/97/91/73/520979173.db2.gz KSWVKWZXYOEJFO-HUUCEWRRSA-N 1 0 352.774 2.748 20 5 FFBDRO CC(C)[NH2+]C1(CO)CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000596251664 520994135 /nfs/dbraw/zinc/99/41/35/520994135.db2.gz VBWITSDPDGRSMU-UHFFFAOYSA-N 1 0 359.373 2.526 20 5 FFBDRO Cn1c(Sc2ccc3cnccc3c2[N+](=O)[O-])nnc1C1CC[NH2+]CC1 ZINC000599048502 520999433 /nfs/dbraw/zinc/99/94/33/520999433.db2.gz MEVQEHBOYAVCDQ-UHFFFAOYSA-N 1 0 370.438 2.890 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)cnc1NCC1CC[NH+](C2CCOCC2)CC1 ZINC000596314893 521023942 /nfs/dbraw/zinc/02/39/42/521023942.db2.gz VABOXULBCPIYBF-UHFFFAOYSA-N 1 0 354.838 2.946 20 5 FFBDRO O=[N+]([O-])c1cnc(N2CCO[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]32)s1 ZINC000593496322 521031605 /nfs/dbraw/zinc/03/16/05/521031605.db2.gz NZMWOXOSKOPVTL-CABCVRRESA-N 1 0 360.439 2.531 20 5 FFBDRO O=[N+]([O-])c1cnc(N2CCO[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]32)s1 ZINC000593496325 521032296 /nfs/dbraw/zinc/03/22/96/521032296.db2.gz NZMWOXOSKOPVTL-LSDHHAIUSA-N 1 0 360.439 2.531 20 5 FFBDRO Cn1ccnc1C(=O)c1ccc(N[C@H]2CC[N@@H+](C(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000596336666 521034074 /nfs/dbraw/zinc/03/40/74/521034074.db2.gz RLARMFKACDGFEP-AWEZNQCLSA-N 1 0 371.441 2.844 20 5 FFBDRO O=C(CC[NH2+]Cc1cccc2c1CCOC2)Nc1ccccc1[N+](=O)[O-] ZINC000601969398 521046069 /nfs/dbraw/zinc/04/60/69/521046069.db2.gz QQVRGXXZNSJRST-UHFFFAOYSA-N 1 0 355.394 2.786 20 5 FFBDRO CC1(C)C[NH2+]CC[C@H](NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000601978568 521055065 /nfs/dbraw/zinc/05/50/65/521055065.db2.gz YVEACSRLUJOVEL-ZDUSSCGKSA-N 1 0 369.849 2.912 20 5 FFBDRO Cc1cc(N2CCC[C@@H]3C[NH2+]CC[C@@H]32)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000601982651 521057080 /nfs/dbraw/zinc/05/70/80/521057080.db2.gz KKUDHJDXJXRKCQ-WBVHZDCISA-N 1 0 353.426 2.939 20 5 FFBDRO CC1([NH+]2CCOCC2)CCN(c2ccc3cnccc3c2[N+](=O)[O-])CC1 ZINC000599160251 521062653 /nfs/dbraw/zinc/06/26/53/521062653.db2.gz KTWYTQVWCFHBIK-UHFFFAOYSA-N 1 0 356.426 2.834 20 5 FFBDRO O=[N+]([O-])c1cc2c(cc1CN1CCCC[C@H]([NH+]3CCCC3)C1)OCCO2 ZINC000611267344 521065668 /nfs/dbraw/zinc/06/56/68/521065668.db2.gz SILHCWMXFMYVCU-INIZCTEOSA-N 1 0 361.442 2.816 20 5 FFBDRO O=[N+]([O-])c1ccc(CN2CCOCC2)cc1NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000599164081 521066645 /nfs/dbraw/zinc/06/66/45/521066645.db2.gz JJINESOOVLGVFW-GOSISDBHSA-N 1 0 374.485 2.856 20 5 FFBDRO O=C(C[N@@H+]1CCC[C@@H](C[C@H]2CCOC2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000611350878 521115198 /nfs/dbraw/zinc/11/51/98/521115198.db2.gz VQTGZPUSWHXJPI-JKSUJKDBSA-N 1 0 373.453 2.623 20 5 FFBDRO O=C(C[N@@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000611350875 521116010 /nfs/dbraw/zinc/11/60/10/521116010.db2.gz VQTGZPUSWHXJPI-HOTGVXAUSA-N 1 0 373.453 2.623 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCN2Cc3ccccc3C2)n1 ZINC000618567162 521127413 /nfs/dbraw/zinc/12/74/13/521127413.db2.gz ZCAKHCZQITWCOS-ZWKOTPCHSA-N 1 0 355.442 2.880 20 5 FFBDRO O=C(c1c(Br)cccc1[N+](=O)[O-])N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000599283795 521127866 /nfs/dbraw/zinc/12/78/66/521127866.db2.gz DPKPIJSMJAMAOK-LLVKDONJSA-N 1 0 368.231 2.668 20 5 FFBDRO COC(=O)Cc1ccc(NC[C@H]2CCC[N@H+](CC3CC3)C2)c([N+](=O)[O-])c1 ZINC000596571725 521138768 /nfs/dbraw/zinc/13/87/68/521138768.db2.gz YVKUMXZMZBNDTB-MRXNPFEDSA-N 1 0 361.442 2.844 20 5 FFBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](CCOC3CCOCC3)CC2)cc1 ZINC000599302253 521138966 /nfs/dbraw/zinc/13/89/66/521138966.db2.gz CAIWQAWKQIOHIK-UHFFFAOYSA-N 1 0 350.415 2.634 20 5 FFBDRO COC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000593674566 521146102 /nfs/dbraw/zinc/14/61/02/521146102.db2.gz YLAPGLRXXDBHAC-QZTJIDSGSA-N 1 0 371.437 2.944 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@]2(CO)CCc3ccccc32)n1 ZINC000593716563 521170630 /nfs/dbraw/zinc/17/06/30/521170630.db2.gz SCBGTAGILJHEQT-NSHGMRRFSA-N 1 0 370.453 2.741 20 5 FFBDRO CC(C)(NC(=O)NCc1ccc(C[NH3+])cc1F)c1ccc([N+](=O)[O-])cc1 ZINC000593720802 521174372 /nfs/dbraw/zinc/17/43/72/521174372.db2.gz DQCDXWWLPBGJJK-UHFFFAOYSA-N 1 0 360.389 2.927 20 5 FFBDRO Cn1c(=O)ccc2c1CCC[C@H]2[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000593725908 521177567 /nfs/dbraw/zinc/17/75/67/521177567.db2.gz ZERKVPYDFVXMLH-INMHGKMJSA-N 1 0 371.441 2.641 20 5 FFBDRO O=C(N[C@H]1C[C@@H]([NH+]2CCCC2)C1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602167631 521183671 /nfs/dbraw/zinc/18/36/71/521183671.db2.gz PCVIZZSQBJNIMB-TXEJJXNPSA-N 1 0 357.332 2.970 20 5 FFBDRO CC[N@@H+]1CCN(Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C[C@H]1C ZINC000611518460 521198535 /nfs/dbraw/zinc/19/85/35/521198535.db2.gz AWWDKOQOWXWAOW-GFCCVEGCSA-N 1 0 373.400 2.773 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H](OC(F)F)C1 ZINC000611579337 521231612 /nfs/dbraw/zinc/23/16/12/521231612.db2.gz VLTRMUIDJJTFAF-LBPRGKRZSA-N 1 0 373.356 2.636 20 5 FFBDRO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc(Br)cc1[N+](=O)[O-])C2 ZINC000593910644 521285417 /nfs/dbraw/zinc/28/54/17/521285417.db2.gz ABSIPHRYECRSDE-BONVTDFDSA-N 1 0 368.231 2.558 20 5 FFBDRO CCc1ccc(C(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc1[N+](=O)[O-] ZINC000593911563 521286843 /nfs/dbraw/zinc/28/68/43/521286843.db2.gz GTXOYOJZQQNLJG-LZLYRXPVSA-N 1 0 361.442 2.516 20 5 FFBDRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])C2)C1 ZINC000593911556 521287587 /nfs/dbraw/zinc/28/75/87/521287587.db2.gz GOTKOFWOFJBXLW-KFNAQCHYSA-N 1 0 367.833 2.607 20 5 FFBDRO CN(CCOCC[NH3+])C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000599598887 521322550 /nfs/dbraw/zinc/32/25/50/521322550.db2.gz HDCNZKDEVLUQDS-UHFFFAOYSA-N 1 0 374.397 2.826 20 5 FFBDRO COC(=O)[C@](C)(NCC[N@H+](C)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000599650239 521362159 /nfs/dbraw/zinc/36/21/59/521362159.db2.gz GRAUBBYBPLIBJN-HXUWFJFHSA-N 1 0 371.437 2.705 20 5 FFBDRO C[NH2+]CCC1CCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000602480554 521370166 /nfs/dbraw/zinc/37/01/66/521370166.db2.gz CTTCZEPZUBGRFR-UHFFFAOYSA-N 1 0 370.247 2.819 20 5 FFBDRO CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602496029 521378779 /nfs/dbraw/zinc/37/87/79/521378779.db2.gz ZLHUQLSQBLKOOB-LBPRGKRZSA-N 1 0 359.348 2.914 20 5 FFBDRO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C1CCN(c2cnccn2)CC1 ZINC000619077478 521385757 /nfs/dbraw/zinc/38/57/57/521385757.db2.gz IQOLDJJONAGJQR-XQRVVYSFSA-N 1 0 353.426 2.999 20 5 FFBDRO O=[N+]([O-])c1sc(CNC[C@@H]2CC[N@@H+](C3CC3)C2)cc1Br ZINC000602508696 521386604 /nfs/dbraw/zinc/38/66/04/521386604.db2.gz DNGNTHITBGZJCE-VIFPVBQESA-N 1 0 360.277 2.993 20 5 FFBDRO C[C@@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)N1CCC[C@@H](C)C1 ZINC000602514451 521387879 /nfs/dbraw/zinc/38/78/79/521387879.db2.gz JOFTZWNYYFOLOD-CVEARBPZSA-N 1 0 361.490 2.669 20 5 FFBDRO O=[N+]([O-])c1sc(C[NH2+]CCOC[C@@H]2CCOC2)cc1Br ZINC000602534862 521398754 /nfs/dbraw/zinc/39/87/54/521398754.db2.gz LDCRPPDILPRPFQ-SECBINFHSA-N 1 0 365.249 2.562 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCCCNc3ccccn3)CC2)cn1 ZINC000602536023 521400843 /nfs/dbraw/zinc/40/08/43/521400843.db2.gz VQFQLMBUBFSIRP-UHFFFAOYSA-N 1 0 370.457 2.836 20 5 FFBDRO CCc1ccc(C(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000602542124 521402747 /nfs/dbraw/zinc/40/27/47/521402747.db2.gz UDECNSKHNLNXPR-CHWSQXEVSA-N 1 0 359.348 2.757 20 5 FFBDRO [NH3+]C[C@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC[C@H]1C(F)(F)F ZINC000602540247 521402809 /nfs/dbraw/zinc/40/28/09/521402809.db2.gz KSWHENNIGUHTJR-GXTWGEPZSA-N 1 0 359.348 2.513 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cnccc1C ZINC000611940219 521403054 /nfs/dbraw/zinc/40/30/54/521403054.db2.gz ZXDNTADRCHMARV-QWHCGFSZSA-N 1 0 358.398 2.985 20 5 FFBDRO Cc1nccn1CCCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602551618 521407540 /nfs/dbraw/zinc/40/75/40/521407540.db2.gz QOANQEQRUCCKOR-UHFFFAOYSA-N 1 0 358.446 2.534 20 5 FFBDRO C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602568319 521415335 /nfs/dbraw/zinc/41/53/35/521415335.db2.gz JPKZCOGVYAIJRH-PRHODGIISA-N 1 0 360.277 2.991 20 5 FFBDRO C[NH2+]CCOCCNC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000602568955 521415353 /nfs/dbraw/zinc/41/53/53/521415353.db2.gz ZSTSJULRTTYRFY-UHFFFAOYSA-N 1 0 367.471 2.595 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@@H]3CCOC4(CCC4)C3)CC2)cn1 ZINC000602676809 521474700 /nfs/dbraw/zinc/47/47/00/521474700.db2.gz RJKKDDQWQRHAFN-OAHLLOKOSA-N 1 0 360.458 2.898 20 5 FFBDRO CC(C)(C)OC(=O)C1(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000602699535 521484336 /nfs/dbraw/zinc/48/43/36/521484336.db2.gz HVPUDFOSYWRZNN-UHFFFAOYSA-N 1 0 364.442 2.865 20 5 FFBDRO O=C1C[C@H](C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CN1C1CC1 ZINC000602711700 521491367 /nfs/dbraw/zinc/49/13/67/521491367.db2.gz JLFGGADUFKUMRR-SNVBAGLBSA-N 1 0 357.332 2.714 20 5 FFBDRO CCN(C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N)[C@H]1CC[N@H+](CC)C1 ZINC000597092073 521497669 /nfs/dbraw/zinc/49/76/69/521497669.db2.gz JMLBJKNAVDKJDU-NSHDSACASA-N 1 0 355.826 2.778 20 5 FFBDRO CCC[N@@H+]1CC[C@H](CNC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C1 ZINC000599830056 521497821 /nfs/dbraw/zinc/49/78/21/521497821.db2.gz PSJYDOXQCZAVNY-CYBMUJFWSA-N 1 0 357.414 2.996 20 5 FFBDRO O=C(Nc1ccc([N+](=O)[O-])c2ccncc12)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000599831168 521499283 /nfs/dbraw/zinc/49/92/83/521499283.db2.gz OXRQKZZJQGANMF-DOTOQJQBSA-N 1 0 355.398 2.891 20 5 FFBDRO Nc1c(NC(=O)NCCC[NH+]2CCCCC2)cc(Cl)cc1[N+](=O)[O-] ZINC000597095067 521501474 /nfs/dbraw/zinc/50/14/74/521501474.db2.gz WCZPSFCAZGKOGI-UHFFFAOYSA-N 1 0 355.826 2.828 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]Cc3cccc4c3CCOC4)CC2)cn1 ZINC000602740568 521508418 /nfs/dbraw/zinc/50/84/18/521508418.db2.gz KCEWFDBDJLMNLX-UHFFFAOYSA-N 1 0 368.437 2.821 20 5 FFBDRO COc1ccc(OC2CC[NH+](CCn3c(C)ncc3[N+](=O)[O-])CC2)cc1 ZINC000602768114 521521733 /nfs/dbraw/zinc/52/17/33/521521733.db2.gz VYACUBHSGFLPJP-UHFFFAOYSA-N 1 0 360.414 2.652 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H]1CC(=O)c1ccc(F)cc1 ZINC000602797071 521538466 /nfs/dbraw/zinc/53/84/66/521538466.db2.gz LNFLDKNCFRWEDB-INIZCTEOSA-N 1 0 360.389 2.976 20 5 FFBDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NCc1cn(C)nc1[N+](=O)[O-] ZINC000602813412 521548288 /nfs/dbraw/zinc/54/82/88/521548288.db2.gz XKDCFXFFRSKBMC-GJZGRUSLSA-N 1 0 357.458 2.575 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000602825119 521555306 /nfs/dbraw/zinc/55/53/06/521555306.db2.gz JPMFTPOWCIFNDX-XBVQOTNRSA-N 1 0 350.463 2.751 20 5 FFBDRO COc1c(C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cccc1[N+](=O)[O-] ZINC000619442453 521569582 /nfs/dbraw/zinc/56/95/82/521569582.db2.gz VNIXBDCAZMXSLA-KBPBESRZSA-N 1 0 361.442 2.986 20 5 FFBDRO O=[N+]([O-])c1cc2c(cc1C[N@H+]1C[C@]34COC[C@@]3(C1)CCCC4)OCCO2 ZINC000597248302 521595665 /nfs/dbraw/zinc/59/56/65/521595665.db2.gz PONGZBZVOGQETQ-KDURUIRLSA-N 1 0 360.410 2.759 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@H]2CCN(c3ccccn3)C2)n1 ZINC000616007421 521601512 /nfs/dbraw/zinc/60/15/12/521601512.db2.gz SJHLQKGESNOOCW-HRCADAONSA-N 1 0 356.430 2.539 20 5 FFBDRO COC(=O)COc1ccc(C[N@@H+]2CC[C@H](c3ccco3)C2)cc1[N+](=O)[O-] ZINC000616136118 521628634 /nfs/dbraw/zinc/62/86/34/521628634.db2.gz XJZBLUFZEHBVHY-AWEZNQCLSA-N 1 0 360.366 2.729 20 5 FFBDRO COc1cccc([C@H](CNC(=O)c2cc([N+](=O)[O-])cn2C)[NH+]2CCCC2)c1 ZINC000619525370 521753304 /nfs/dbraw/zinc/75/33/04/521753304.db2.gz GDAZOQIOWQBACV-SFHVURJKSA-N 1 0 372.425 2.509 20 5 FFBDRO Cc1cc(OCC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000619536560 521758151 /nfs/dbraw/zinc/75/81/51/521758151.db2.gz YDKQELZYVQDINL-MRXNPFEDSA-N 1 0 361.442 2.759 20 5 FFBDRO C[NH+](C)C1(CNc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CCCCCC1 ZINC000619570252 521772204 /nfs/dbraw/zinc/77/22/04/521772204.db2.gz BBKJGDATBSDEMI-UHFFFAOYSA-N 1 0 359.430 2.732 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)CCC[NH+]1CCCC1 ZINC000619617783 521798016 /nfs/dbraw/zinc/79/80/16/521798016.db2.gz COJHJHKVMPWICR-CYBMUJFWSA-N 1 0 369.849 2.960 20 5 FFBDRO C[C@@H]([NH2+]CCOc1ccc(-c2nn[nH]n2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000820420467 606619126 /nfs/dbraw/zinc/61/91/26/606619126.db2.gz RJQQTYHJVBPQDC-GFCCVEGCSA-N 1 0 354.370 2.505 20 5 FFBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC000823648386 606999700 /nfs/dbraw/zinc/99/97/00/606999700.db2.gz VWTUPODHPYBCJE-QGZVFWFLSA-N 1 0 364.409 2.886 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000826293311 608280104 /nfs/dbraw/zinc/28/01/04/608280104.db2.gz KSLBGLVSGMKNJH-ZDUSSCGKSA-N 1 0 368.397 2.813 20 5 FFBDRO C[C@@H]([NH2+]CCCOc1ccc([N+](=O)[O-])cc1)c1cccc(-c2nn[nH]n2)c1 ZINC000824594209 608492411 /nfs/dbraw/zinc/49/24/11/608492411.db2.gz YGAMYUFDZUYGDN-CYBMUJFWSA-N 1 0 368.397 2.895 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164722049 720394844 /nfs/dbraw/zinc/39/48/44/720394844.db2.gz BTWYRVZYWUBDOB-IAGOWNOFSA-N 1 0 353.426 2.855 20 5 FFBDRO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)Oc1cccc(-n2ccnc2)c1 ZINC000158994235 728898371 /nfs/dbraw/zinc/89/83/71/728898371.db2.gz HEZWNLUNKCJKCI-UHFFFAOYSA-N 1 0 363.326 2.687 20 5 FFBDRO CCC[N@H+](C)C[C@H]1CCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000081571218 728401774 /nfs/dbraw/zinc/40/17/74/728401774.db2.gz WYIIAJIBVJENED-CYBMUJFWSA-N 1 0 368.865 2.850 20 5 FFBDRO C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C[C@H]1CCCC[C@@H]1O ZINC000130073375 728714929 /nfs/dbraw/zinc/71/49/29/728714929.db2.gz PSEZAVOMYMOSFM-WBMJQRKESA-N 1 0 353.394 2.545 20 5 FFBDRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000165940256 728974825 /nfs/dbraw/zinc/97/48/25/728974825.db2.gz QDZUGFPXTCISMT-ZANVPECISA-N 1 0 356.220 2.605 20 5 FFBDRO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1cccc([N+](=O)[O-])c1Cl ZINC000859356300 730451676 /nfs/dbraw/zinc/45/16/76/730451676.db2.gz NPFIXYYDMJUHRU-ZDUSSCGKSA-N 1 0 367.833 2.621 20 5 FFBDRO COCC[N@@H+]1CCC[C@H]1COC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000861032215 730569007 /nfs/dbraw/zinc/56/90/07/730569007.db2.gz KRYGYJZFZBMBQR-HIFRSBDPSA-N 1 0 368.455 2.729 20 5 FFBDRO CC[C@@H]([NH2+][C@H](C)C1CCN(S(C)(=O)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000925231088 738491741 /nfs/dbraw/zinc/49/17/41/738491741.db2.gz RONCSSKWLNAOTL-CXAGYDPISA-N 1 0 369.487 2.696 20 5 FFBDRO COc1cc(CN[C@@H]2CC[NH2+]C23CCC3)c([N+](=O)[O-])cc1OC(F)F ZINC000863644178 730798655 /nfs/dbraw/zinc/79/86/55/730798655.db2.gz MJWKDATYNJUCLB-CQSZACIVSA-N 1 0 357.357 2.579 20 5 FFBDRO CN(CCC[N@H+](C)Cc1ccco1)c1cc(F)c([N+](=O)[O-])cc1CO ZINC000865804416 730999327 /nfs/dbraw/zinc/99/93/27/730999327.db2.gz XWEWVNTWTZMPPL-UHFFFAOYSA-N 1 0 351.378 2.778 20 5 FFBDRO CN1CC[NH+](C2CCN(c3ccc(C(F)F)cc3[N+](=O)[O-])CC2)CC1 ZINC000866212841 731041197 /nfs/dbraw/zinc/04/11/97/731041197.db2.gz JKPTYMAQEIZNNR-UHFFFAOYSA-N 1 0 354.401 2.749 20 5 FFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCS(=O)(=O)c1ccccc1 ZINC000866241759 731043168 /nfs/dbraw/zinc/04/31/68/731043168.db2.gz GMNUMHCHLVISAF-CYBMUJFWSA-N 1 0 366.414 2.728 20 5 FFBDRO O=[N+]([O-])c1cc(CN2CCC[C@@H]3C[NH2+]CC[C@@H]32)ccc1Br ZINC000866717769 731090777 /nfs/dbraw/zinc/09/07/77/731090777.db2.gz OTWLKAQDJPHOOP-OCCSQVGLSA-N 1 0 354.248 2.931 20 5 FFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000872119337 731731441 /nfs/dbraw/zinc/73/14/41/731731441.db2.gz PZODDCNTPCCNIO-KPGMEVQCSA-N 1 0 370.446 2.610 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CC1C[C@H]3CC[C@@H](C1)S3(=O)=O)CCC2 ZINC000872120120 731731645 /nfs/dbraw/zinc/73/16/45/731731645.db2.gz ZHUXCDYRHCFQTQ-NZHQHIMKSA-N 1 0 364.467 2.918 20 5 FFBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CC2C[C@H]3CC[C@@H](C2)S3(=O)=O)c1 ZINC000873171119 731884185 /nfs/dbraw/zinc/88/41/85/731884185.db2.gz DQVALTOBYNBDLK-FTNCPSPGSA-N 1 0 358.847 2.694 20 5 FFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@@H](c3cccs3)N3CCCC3)C2)c1 ZINC000876884008 732291483 /nfs/dbraw/zinc/29/14/83/732291483.db2.gz FLIZHTNKPIYISM-XUJLQICISA-N 1 0 361.471 2.983 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCSC(F)(F)F)CC2)cn1 ZINC000876938724 732299928 /nfs/dbraw/zinc/29/99/28/732299928.db2.gz PDMKWUXZLLWQCN-UHFFFAOYSA-N 1 0 350.366 2.801 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000877018092 732313008 /nfs/dbraw/zinc/31/30/08/732313008.db2.gz KTUZSQWPEMNRSA-VXGBXAGGSA-N 1 0 359.348 2.811 20 5 FFBDRO C[C@](O)(C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1cccs1 ZINC000877048843 732317315 /nfs/dbraw/zinc/31/73/15/732317315.db2.gz OWAUNSGAQXGFBD-KRWDZBQOSA-N 1 0 362.455 2.517 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCc3ccc(Cl)nc3)CC2)cn1 ZINC000877085903 732322425 /nfs/dbraw/zinc/32/24/25/732322425.db2.gz SFBUOCGEHUXHRM-UHFFFAOYSA-N 1 0 361.833 2.839 20 5 FFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)c1 ZINC000877346275 732347272 /nfs/dbraw/zinc/34/72/72/732347272.db2.gz QOUTUZDQRSWPSH-AWEZNQCLSA-N 1 0 357.435 2.761 20 5 FFBDRO O=C1OCC[C@@H]1CCC[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000877805276 732437431 /nfs/dbraw/zinc/43/74/31/732437431.db2.gz ASLZMCZQFBHHEO-QMMMGPOBSA-N 1 0 363.233 2.852 20 5 FFBDRO C[C@@H]1[C@H](C)N(Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CC[N@H+]1C ZINC000878341252 732516866 /nfs/dbraw/zinc/51/68/66/732516866.db2.gz ZTTRZKVXQWPQBK-MNOVXSKESA-N 1 0 365.821 2.823 20 5 FFBDRO C[C@](CO)([NH2+]C[C@H](O)c1ccc(F)cc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000879271600 732676395 /nfs/dbraw/zinc/67/63/95/732676395.db2.gz GTWFLWAJBJLWHA-DLBZAZTESA-N 1 0 368.792 2.918 20 5 FFBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000879563079 732724233 /nfs/dbraw/zinc/72/42/33/732724233.db2.gz QGCXSGGKWFGBFE-CHWSQXEVSA-N 1 0 363.439 2.578 20 5 FFBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccc(C(F)(F)F)nc1 ZINC000880103287 732845774 /nfs/dbraw/zinc/84/57/74/732845774.db2.gz OAAJWRZBQIBJTB-JTQLQIEISA-N 1 0 356.304 2.521 20 5 FFBDRO C[NH+](C)CCOCCNC(=O)Nc1cc([N+](=O)[O-])ccc1C(C)(C)C ZINC000880710024 732949824 /nfs/dbraw/zinc/94/98/24/732949824.db2.gz SAGYENXFFJCPHW-UHFFFAOYSA-N 1 0 352.435 2.592 20 5 FFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000926945719 738671256 /nfs/dbraw/zinc/67/12/56/738671256.db2.gz LYRKQXZGRPHQDO-NYTXWWLZSA-N 1 0 352.456 2.859 20 5 FFBDRO C[N@@H+]1CC[C@H]2CN(C(=O)c3cccc([N+](=O)[O-])c3Br)CC[C@@H]21 ZINC000881439508 733055270 /nfs/dbraw/zinc/05/52/70/733055270.db2.gz NZSXYYKHPOCFGC-JQWIXIFHSA-N 1 0 368.231 2.524 20 5 FFBDRO C[C@@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCN1c1cc[nH+]cc1 ZINC000881638294 733077889 /nfs/dbraw/zinc/07/78/89/733077889.db2.gz NLBVFAPHOVVSJF-GFCCVEGCSA-N 1 0 360.801 2.994 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@@H](CO)C[C@@H]3CCCO3)cs2)c1 ZINC000886228669 733762824 /nfs/dbraw/zinc/76/28/24/733762824.db2.gz DGPXMADHSNHZBC-CJNGLKHVSA-N 1 0 363.439 2.738 20 5 FFBDRO COC(=O)[C@H]1CC[C@H]([NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000886651994 733812987 /nfs/dbraw/zinc/81/29/87/733812987.db2.gz WPYIJRXKAQZDBZ-CABZTGNLSA-N 1 0 357.204 2.789 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H]1CC[C@@]2(CO[C@@H](C)C2)O1 ZINC000886768944 733829481 /nfs/dbraw/zinc/82/94/81/733829481.db2.gz LUDFCKACIPBJKB-BWQRHGBYSA-N 1 0 350.415 2.981 20 5 FFBDRO Cc1sc(-c2cccc([N+](=O)[O-])c2)nc1-c1cn(CC2C[NH2+]C2)nn1 ZINC000887407421 733924325 /nfs/dbraw/zinc/92/43/25/733924325.db2.gz BSCFEDIBXXTXMF-UHFFFAOYSA-N 1 0 356.411 2.505 20 5 FFBDRO O=[N+]([O-])c1ccccc1-c1nc(-c2cn(C[C@@H]3CCC[NH2+]3)nn2)cs1 ZINC000887486062 733935428 /nfs/dbraw/zinc/93/54/28/733935428.db2.gz CCCAONPJBUYCDU-NSHDSACASA-N 1 0 356.411 2.729 20 5 FFBDRO O=[N+]([O-])c1cnc2cc(Br)ccc2c1N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000891928701 734496508 /nfs/dbraw/zinc/49/65/08/734496508.db2.gz HAOSVQKWAHGANH-AOOOYVTPSA-N 1 0 363.215 2.561 20 5 FFBDRO C[C@H](C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12)c1ccc([N+](=O)[O-])cc1F ZINC000928092560 738820901 /nfs/dbraw/zinc/82/09/01/738820901.db2.gz SZWPUUGGPHAJCN-UVBJJODRSA-N 1 0 367.446 2.533 20 5 FFBDRO O=[N+]([O-])c1ccc(NC(=S)NCC2([NH+]3CCCC3)CCOCC2)cc1 ZINC000729646713 734588785 /nfs/dbraw/zinc/58/87/85/734588785.db2.gz FCGNFOJQGIONSF-UHFFFAOYSA-N 1 0 364.471 2.526 20 5 FFBDRO C[C@@H]1CCC[N@@H+]1CCNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000783920097 738849242 /nfs/dbraw/zinc/84/92/42/738849242.db2.gz ZBRLDRPWGNUMKK-SNVBAGLBSA-N 1 0 356.220 2.571 20 5 FFBDRO Cn1ccnc1[C@H]1C[C@@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000894792619 734917884 /nfs/dbraw/zinc/91/78/84/734917884.db2.gz ZMSRWPDWUWIFTG-DZGCQCFKSA-N 1 0 350.806 2.992 20 5 FFBDRO C[C@@H]1[C@H](NC(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)CC[N@@H+]1C ZINC000928431765 738868647 /nfs/dbraw/zinc/86/86/47/738868647.db2.gz OJTVZHCEBCXKIQ-HZGVNTEJSA-N 1 0 350.177 2.863 20 5 FFBDRO COc1cc(NC[C@@H]2CC[N@@H+]2C2CCOCC2)c(Cl)cc1[N+](=O)[O-] ZINC000896525773 735173029 /nfs/dbraw/zinc/17/30/29/735173029.db2.gz OPADDPHGEDTZQT-LBPRGKRZSA-N 1 0 355.822 2.922 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)cc1C(F)(F)F ZINC000897221197 735208107 /nfs/dbraw/zinc/20/81/07/735208107.db2.gz JFFGCOWIDLFFBF-HUUCEWRRSA-N 1 0 359.348 2.649 20 5 FFBDRO CCOc1cc(C(=O)OCC[NH+]2CCCCC2)c([N+](=O)[O-])cc1OC ZINC000747451703 735564509 /nfs/dbraw/zinc/56/45/09/735564509.db2.gz NUXOBUSLSKUGAT-UHFFFAOYSA-N 1 0 352.387 2.645 20 5 FFBDRO O=C(c1cc(Cl)c(F)c([N+](=O)[O-])c1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000900791552 735693331 /nfs/dbraw/zinc/69/33/31/735693331.db2.gz FJWPDQYASNIMMQ-LLVKDONJSA-N 1 0 355.797 2.945 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(N2CCC(CC[NH+]3CCOCC3)CC2)c(F)c1 ZINC000749317078 735714084 /nfs/dbraw/zinc/71/40/84/735714084.db2.gz TVKBUAKGERNKCK-UHFFFAOYSA-N 1 0 355.385 2.812 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000749544346 735729967 /nfs/dbraw/zinc/72/99/67/735729967.db2.gz DEKWYRDGEKPQCG-PVAVHDDUSA-N 1 0 353.850 2.932 20 5 FFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CC2(N3CCSCC3)CCCC2)c1 ZINC000749672232 735737607 /nfs/dbraw/zinc/73/76/07/735737607.db2.gz QPLHBPVUBALIOW-KRWDZBQOSA-N 1 0 365.499 2.579 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@@H]2CC[C@H](C(F)(F)F)O2)n1 ZINC000903180165 736050164 /nfs/dbraw/zinc/05/01/64/736050164.db2.gz YCGIYMODMYWLRV-WUHRBBMRSA-N 1 0 362.352 2.975 20 5 FFBDRO CN(C)Cc1csc(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000903218694 736057467 /nfs/dbraw/zinc/05/74/67/736057467.db2.gz BRJREDJSHPYNQA-KBPBESRZSA-N 1 0 364.475 2.583 20 5 FFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1cnc2n1CCOC2 ZINC000903420104 736089913 /nfs/dbraw/zinc/08/99/13/736089913.db2.gz LTLIVWDZKRZXPP-ZDUSSCGKSA-N 1 0 362.455 2.982 20 5 FFBDRO O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1CCC[C@]12CC[NH2+]C2 ZINC000904393007 736248278 /nfs/dbraw/zinc/24/82/78/736248278.db2.gz GNAFCAOBXKSINI-CQSZACIVSA-N 1 0 369.219 2.717 20 5 FFBDRO C[C@H]1CN(C(=S)Nc2ccc([N+](=O)[O-])cc2)CCN1c1cc[nH+]cc1 ZINC000905521726 736350846 /nfs/dbraw/zinc/35/08/46/736350846.db2.gz FBUGHLRCEGAKNB-ZDUSSCGKSA-N 1 0 357.439 2.897 20 5 FFBDRO O=C(C[N@@H+]1CCC[C@H]2COCC[C@@H]21)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000756902167 736371597 /nfs/dbraw/zinc/37/15/97/736371597.db2.gz QMQHQNMSBBBVJB-FZMZJTMJSA-N 1 0 353.806 2.688 20 5 FFBDRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000757262491 736399344 /nfs/dbraw/zinc/39/93/44/736399344.db2.gz NALIJTLLSUDXRX-OAHLLOKOSA-N 1 0 354.838 2.730 20 5 FFBDRO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000906240753 736475446 /nfs/dbraw/zinc/47/54/46/736475446.db2.gz OZROIAPYEXCWGC-UONOGXRCSA-N 1 0 351.834 2.924 20 5 FFBDRO CS[C@H]1CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000758790060 736521256 /nfs/dbraw/zinc/52/12/56/736521256.db2.gz FVIFAYDQCBUTDZ-CABCVRRESA-N 1 0 369.874 2.900 20 5 FFBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC000908191296 736738217 /nfs/dbraw/zinc/73/82/17/736738217.db2.gz SQIDFPBWQSCMTM-MFKMUULPSA-N 1 0 352.822 2.529 20 5 FFBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2cc([N+](=O)[O-])ccc2Br)C[C@@H]1C ZINC000766557950 737241974 /nfs/dbraw/zinc/24/19/74/737241974.db2.gz WYPLRSMUTRQNOJ-QWRGUYRKSA-N 1 0 370.247 2.912 20 5 FFBDRO Cc1c(Br)cc(C(=O)N2CC[C@H]([NH+]3CCC3)C2)cc1[N+](=O)[O-] ZINC000912913155 737356888 /nfs/dbraw/zinc/35/68/88/737356888.db2.gz HUHXSXLAUQMUAU-LBPRGKRZSA-N 1 0 368.231 2.586 20 5 FFBDRO C[N@@H+]1CC[C@H]2CN(C(=O)CCc3ccc([N+](=O)[O-])cc3Cl)CC[C@H]21 ZINC000913759905 737443814 /nfs/dbraw/zinc/44/38/14/737443814.db2.gz BXRJIGPGHPFKGE-XJKSGUPXSA-N 1 0 351.834 2.733 20 5 FFBDRO Cc1c(C(=O)OCC[NH+]2CCCCC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000770359541 737618875 /nfs/dbraw/zinc/61/88/75/737618875.db2.gz ONSPXAJQNMWQQQ-UHFFFAOYSA-N 1 0 351.359 2.763 20 5 FFBDRO C[NH+](C)CCCOC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000915804092 737656995 /nfs/dbraw/zinc/65/69/95/737656995.db2.gz MCKRAAIRLUHIGE-UHFFFAOYSA-N 1 0 350.293 2.644 20 5 FFBDRO CC[NH+](CC)[C@@H]1CCN(Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 ZINC000774636110 738007716 /nfs/dbraw/zinc/00/77/16/738007716.db2.gz LINGJNMOEMTTBB-CYBMUJFWSA-N 1 0 351.838 2.972 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)C[C@H]1C ZINC000778009118 738342014 /nfs/dbraw/zinc/34/20/14/738342014.db2.gz KTLWDFOOYKDJJA-OLZOCXBDSA-N 1 0 373.450 2.536 20 5 FFBDRO C[C@H](CNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)[NH+]1CCC(C)CC1 ZINC000778250251 738366896 /nfs/dbraw/zinc/36/68/96/738366896.db2.gz XTLSAYHIOKFIGF-CYBMUJFWSA-N 1 0 355.385 2.923 20 5 FFBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000929093064 738942538 /nfs/dbraw/zinc/94/25/38/738942538.db2.gz YHKQOPWHVYXDCR-CYBMUJFWSA-N 1 0 350.419 2.799 20 5 FFBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H](C[NH+](C)C)C(C)C ZINC000786159020 739029898 /nfs/dbraw/zinc/02/98/98/739029898.db2.gz KANDZWDPZUHPEL-CQSZACIVSA-N 1 0 372.263 2.982 20 5 FFBDRO COCC1([NH2+]Cc2c(Br)cccc2[N+](=O)[O-])CCOCC1 ZINC000930574279 739130935 /nfs/dbraw/zinc/13/09/35/739130935.db2.gz GXVJNINBANCYOG-UHFFFAOYSA-N 1 0 359.220 2.643 20 5 FFBDRO CCOc1cc([N+](=O)[O-])c(C(=O)OCCC[NH+]2CCCC2)cc1OC ZINC000787979459 739193946 /nfs/dbraw/zinc/19/39/46/739193946.db2.gz WWSOPGAARAEKIY-UHFFFAOYSA-N 1 0 352.387 2.645 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1OS(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000788661622 739269844 /nfs/dbraw/zinc/26/98/44/739269844.db2.gz QVCWWYJUKLNAHF-UHFFFAOYSA-N 1 0 350.396 2.733 20 5 FFBDRO C[C@@]1([C@@H]2CCC[N@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)C2)COC(=O)N1 ZINC000932020675 739374701 /nfs/dbraw/zinc/37/47/01/739374701.db2.gz KJFLLGVDUBFLBL-WBMJQRKESA-N 1 0 353.806 2.959 20 5 FFBDRO Cc1c(OS(=O)(=O)c2ccc(C[NH+](C)C)cc2)cccc1[N+](=O)[O-] ZINC000790013157 739406046 /nfs/dbraw/zinc/40/60/46/739406046.db2.gz QFZWSQCVPVJUCQ-UHFFFAOYSA-N 1 0 350.396 2.733 20 5 FFBDRO C[C@H](CC[NH+](C)C)NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000791420807 739561916 /nfs/dbraw/zinc/56/19/16/739561916.db2.gz CHHZROLKNCRRIR-MRVPVSSYSA-N 1 0 370.258 2.520 20 5 FFBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1cc(Cl)cc2c1OCC2 ZINC000933271295 739592635 /nfs/dbraw/zinc/59/26/35/739592635.db2.gz JZUSZIAAVHNYBR-LLVKDONJSA-N 1 0 363.801 2.696 20 5 FFBDRO Cc1c(NC(=O)NC[C@@H]2CC[N@@H+](C)C2)cc([N+](=O)[O-])cc1C(F)(F)F ZINC000933340784 739607011 /nfs/dbraw/zinc/60/70/11/739607011.db2.gz VSPSCCHACCYGLO-JTQLQIEISA-N 1 0 360.336 2.995 20 5 FFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CCOC23CCOCC3)c1Br ZINC000934400893 739781919 /nfs/dbraw/zinc/78/19/19/739781919.db2.gz FDBBARPOKGNARY-ZDUSSCGKSA-N 1 0 371.231 2.785 20 5 FFBDRO COc1ccc(NC(=O)CC[N@@H+]2C[C@@H]3CSC[C@]3(C)C2)c([N+](=O)[O-])c1 ZINC000934776346 739838675 /nfs/dbraw/zinc/83/86/75/739838675.db2.gz JSOFVXAEWHMDKJ-PXAZEXFGSA-N 1 0 365.455 2.617 20 5 FFBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC000935151679 739903351 /nfs/dbraw/zinc/90/33/51/739903351.db2.gz OREJHJAXZXTJCW-VIFPVBQESA-N 1 0 372.828 2.772 20 5 FFBDRO CSc1ccc(C[NH2+][C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000798227744 740314446 /nfs/dbraw/zinc/31/44/46/740314446.db2.gz SPJHHYNLHVSAEC-UKRRQHHQSA-N 1 0 354.453 2.562 20 5 FFBDRO O=C(NC1CC2(C1)CC([NH2+]Cc1ccccc1Cl)C2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000963791250 740656235 /nfs/dbraw/zinc/65/62/35/740656235.db2.gz QAPOLQFONLHWIN-KLQVMUDPSA-N 1 0 363.845 2.522 20 5 FFBDRO CCCN(CC[NH+]1CCCC1)C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000804441234 740874529 /nfs/dbraw/zinc/87/45/29/740874529.db2.gz GEAHGHAZUJMXGQ-UHFFFAOYSA-N 1 0 363.443 2.548 20 5 FFBDRO C[C@@H]1C[C@@H](N2CCOCC2)CN1c1cc(Br)ccc1[N+](=O)[O-] ZINC000804809127 740906346 /nfs/dbraw/zinc/90/63/46/740906346.db2.gz PALNAEMATFINLZ-DGCLKSJQSA-N 1 0 370.247 2.657 20 5 FFBDRO C[C@@H]1CCC[C@@H](C)[NH+]1CC(N)=NOCCOc1ccc([N+](=O)[O-])cc1 ZINC000809374669 741302736 /nfs/dbraw/zinc/30/27/36/741302736.db2.gz NZMXNYWSJBUBFU-ZIAGYGMSSA-N 1 0 350.419 2.735 20 5 FFBDRO C[N@H+](Cc1cc(F)ccc1Cl)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985431648 741395469 /nfs/dbraw/zinc/39/54/69/741395469.db2.gz RPOJXTVSILXEDN-GDBMZVCRSA-N 1 0 369.824 2.567 20 5 FFBDRO C[C@H](COc1ccc(F)cc1F)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818974721 742318429 /nfs/dbraw/zinc/31/84/29/742318429.db2.gz PETLDSALZZXDQF-BZNIZROVSA-N 1 0 352.337 2.964 20 5 FFBDRO CC[C@H](C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)NC(=O)OC(C)(C)C ZINC000819342191 742378967 /nfs/dbraw/zinc/37/89/67/742378967.db2.gz PENMBTSRQYARTR-UKRRQHHQSA-N 1 0 353.419 2.521 20 5 FFBDRO CC[C@@H](C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)NC(=O)OC(C)(C)C ZINC000819342192 742379020 /nfs/dbraw/zinc/37/90/20/742379020.db2.gz PENMBTSRQYARTR-ZFWWWQNUSA-N 1 0 353.419 2.521 20 5 FFBDRO O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000820826804 742555895 /nfs/dbraw/zinc/55/58/95/742555895.db2.gz ICEVQAPOZOOBRQ-CYBMUJFWSA-N 1 0 368.821 2.623 20 5 FFBDRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N)C2 ZINC000821026027 742578870 /nfs/dbraw/zinc/57/88/70/742578870.db2.gz OUQNOOQKPJGNTC-MRXNPFEDSA-N 1 0 370.812 2.527 20 5 FFBDRO Cc1ccc([C@H](C)[NH2+]CCn2cnc(Br)n2)cc1[N+](=O)[O-] ZINC000821401558 742621544 /nfs/dbraw/zinc/62/15/44/742621544.db2.gz FWJYLAJHQZRAAB-JTQLQIEISA-N 1 0 354.208 2.608 20 5 FFBDRO C[N@@H+](Cc1ccccc1Cl)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001029964223 742823204 /nfs/dbraw/zinc/82/32/04/742823204.db2.gz ACYHJRSGYKEHMK-NVXWUHKLSA-N 1 0 365.861 2.676 20 5 FFBDRO C[N@@H+](Cc1sccc1Cl)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001029964676 742823448 /nfs/dbraw/zinc/82/34/48/742823448.db2.gz VEUFYAWVIOJPKK-TZMCWYRMSA-N 1 0 371.890 2.737 20 5 FFBDRO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])N[C@H]1C[C@@H]([NH+]2CCCC2)C1 ZINC000823647339 742955544 /nfs/dbraw/zinc/95/55/44/742955544.db2.gz MHLVGFCHBWRBJR-BETUJISGSA-N 1 0 351.834 2.924 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(F)c(C(=O)NCCCNc2ccccn2)c1F ZINC000828151082 745037502 /nfs/dbraw/zinc/03/75/02/745037502.db2.gz YNQOXWHVMQKESI-UHFFFAOYSA-N 1 0 350.325 2.808 20 5 FFBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2c(F)c(C)cc([N+](=O)[O-])c2F)C1 ZINC000829176129 745176318 /nfs/dbraw/zinc/17/63/18/745176318.db2.gz QRRATERHMWUDBV-GFCCVEGCSA-N 1 0 355.385 2.985 20 5 FFBDRO O=C(COc1cc(F)c(Cl)cc1[N+](=O)[O-])NC1CC[NH+](C2CC2)CC1 ZINC000829572811 745227057 /nfs/dbraw/zinc/22/70/57/745227057.db2.gz YPXIFGMUCWTPOV-UHFFFAOYSA-N 1 0 371.796 2.509 20 5 FFBDRO CC[C@@H]1CN(C)CCN1C(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000839393073 746821328 /nfs/dbraw/zinc/82/13/28/746821328.db2.gz VJSRDISFTAJRFN-LLVKDONJSA-N 1 0 356.220 2.524 20 5 FFBDRO O=C(CN1CCC[C@@H]1C[NH+]1CCCC1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839482188 746835651 /nfs/dbraw/zinc/83/56/51/746835651.db2.gz WPNTWYDMPLGWRQ-CQSZACIVSA-N 1 0 366.849 2.747 20 5 FFBDRO CC[C@@](C)(CC(=O)OC)[NH2+]CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839522913 746846405 /nfs/dbraw/zinc/84/64/05/746846405.db2.gz YBSMTTZOFXAZAK-HNNXBMFYSA-N 1 0 357.794 2.508 20 5 FFBDRO CC[N@@H+]1C[C@@H](C)N(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000839532336 746848486 /nfs/dbraw/zinc/84/84/86/746848486.db2.gz WQEYIRSHFRGJFY-NWDGAFQWSA-N 1 0 354.838 2.601 20 5 FFBDRO CC[N@@H+]1C[C@H](C)N(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1C ZINC000839532334 746848651 /nfs/dbraw/zinc/84/86/51/746848651.db2.gz WQEYIRSHFRGJFY-NEPJUHHUSA-N 1 0 354.838 2.601 20 5 FFBDRO C[NH+](C)CCCNC(=S)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000840802930 747188133 /nfs/dbraw/zinc/18/81/33/747188133.db2.gz OIXSTHNIWVCXCU-HNNXBMFYSA-N 1 0 350.488 2.600 20 5 FFBDRO C[C@@H]([NH3+])C1CCN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000841161078 747284300 /nfs/dbraw/zinc/28/43/00/747284300.db2.gz JEQITRWKKCZFMV-SECBINFHSA-N 1 0 371.235 2.948 20 5 FFBDRO CC[C@H]1CN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000841161480 747284475 /nfs/dbraw/zinc/28/44/75/747284475.db2.gz LMUCYHBVOCXNSW-JOYOIKCWSA-N 1 0 371.235 2.948 20 5 FFBDRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000842163624 747536935 /nfs/dbraw/zinc/53/69/35/747536935.db2.gz QNUDVEZYRRAZIE-QWRGUYRKSA-N 1 0 362.257 2.789 20 5 FFBDRO C[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])[C@@H](C)C[N@@H+]1CCO ZINC000842163623 747537050 /nfs/dbraw/zinc/53/70/50/747537050.db2.gz QNUDVEZYRRAZIE-MNOVXSKESA-N 1 0 362.257 2.789 20 5 FFBDRO [NH3+]C[C@H](NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000842476967 747613002 /nfs/dbraw/zinc/61/30/02/747613002.db2.gz YKJRLDRVCSHHOP-AWEZNQCLSA-N 1 0 354.838 2.684 20 5 FFBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000842483345 747615998 /nfs/dbraw/zinc/61/59/98/747615998.db2.gz JNOVZOANRDYCNS-OLZOCXBDSA-N 1 0 373.862 2.543 20 5 FFBDRO [NH3+][C@@H]1CCC[C@@H]2CN(Cc3c(Br)cccc3[N+](=O)[O-])C[C@H]21 ZINC000843059944 747758376 /nfs/dbraw/zinc/75/83/76/747758376.db2.gz VRLGGQCEAAFMFE-JTNHKYCSSA-N 1 0 354.248 2.917 20 5 FFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@@H](O)c2cc(F)cc(Cl)c2)c1 ZINC000843112345 747774431 /nfs/dbraw/zinc/77/44/31/747774431.db2.gz QTZXOILLUGUHEI-JKSUJKDBSA-N 1 0 354.765 2.744 20 5 FFBDRO O=[N+]([O-])c1cccc(Br)c1CN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000843123180 747776976 /nfs/dbraw/zinc/77/69/76/747776976.db2.gz IRPZBJOZVAMUJD-HNNXBMFYSA-N 1 0 354.248 2.933 20 5 FFBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC([C@H](C)[NH3+])CC1 ZINC000843348374 747815307 /nfs/dbraw/zinc/81/53/07/747815307.db2.gz DWXAWPKTGQQVST-WDEREUQCSA-N 1 0 354.838 2.634 20 5 FFBDRO CN(CC[NH+]1CCCCC1)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000844463480 748036604 /nfs/dbraw/zinc/03/66/04/748036604.db2.gz GAQOGADMGRVDQF-UHFFFAOYSA-N 1 0 354.838 2.604 20 5 FFBDRO CN(C)C(=O)CC[NH+]1CCC(Nc2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000845487368 748268373 /nfs/dbraw/zinc/26/83/73/748268373.db2.gz KJLHZQCWRKTGRD-UHFFFAOYSA-N 1 0 372.828 2.742 20 5 FFBDRO C[C@@H]1[C@H](COC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000845818101 748331362 /nfs/dbraw/zinc/33/13/62/748331362.db2.gz OUBQENZEQHNGFC-ZJUUUORDSA-N 1 0 357.204 2.854 20 5 FFBDRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)c3cc(Cl)ccc3[N+](=O)[O-])C2)C1 ZINC000846691975 748524658 /nfs/dbraw/zinc/52/46/58/748524658.db2.gz ZEXFRRDLTAPYHZ-GHJWDPDVSA-N 1 0 367.833 2.607 20 5 FFBDRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000846699055 748526228 /nfs/dbraw/zinc/52/62/28/748526228.db2.gz KNKIYRIWPPAYQZ-WQVCFCJDSA-N 1 0 367.833 2.749 20 5 FFBDRO CCOc1cc(C(=O)OCC[C@@H]2CC[N@H+](C)C2)c([N+](=O)[O-])cc1OC ZINC000847828101 748791711 /nfs/dbraw/zinc/79/17/11/748791711.db2.gz LQONYAFTGMKACM-LBPRGKRZSA-N 1 0 352.387 2.501 20 5 FFBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CC[S@](=O)CC(F)(F)F)C1CC1 ZINC000850493257 749374145 /nfs/dbraw/zinc/37/41/45/749374145.db2.gz VBLBZYICDDKBLX-RZFZLAGVSA-N 1 0 364.389 2.817 20 5 FFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]Cc2cccc3c2OC(F)(F)O3)c1 ZINC000853127446 750013387 /nfs/dbraw/zinc/01/33/87/750013387.db2.gz RMVNCTKMDDCINL-ZDUSSCGKSA-N 1 0 352.293 2.740 20 5 FFBDRO CCCN(CC[NH+](C)C)C(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000041678260 845076345 /nfs/dbraw/zinc/07/63/45/845076345.db2.gz FWYHBVKDJOZRIG-UHFFFAOYSA-N 1 0 358.236 2.771 20 5 FFBDRO Nc1c(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc2ccccc2c1[N+](=O)[O-] ZINC000896104393 971245124 /nfs/dbraw/zinc/24/51/24/971245124.db2.gz FRVUCJNXYPBRBD-CQSZACIVSA-N 1 0 354.410 2.641 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N1CC2(CC[NH2+]CC2)c2ccccc21 ZINC001167071631 959490087 /nfs/dbraw/zinc/49/00/87/959490087.db2.gz NDBHMVACEFUYJA-UHFFFAOYSA-N 1 0 368.393 2.549 20 5 FFBDRO C[NH+](C)CCOc1ccc(CNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)cc1 ZINC000255057062 960300505 /nfs/dbraw/zinc/30/05/05/960300505.db2.gz JUVCQYIFIVPZAY-GHXNOFRVSA-N 1 0 369.421 2.865 20 5 FFBDRO CN(CC(C)(C)C[NH+](C)C)C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000890884122 960785215 /nfs/dbraw/zinc/78/52/15/960785215.db2.gz WZGFUITZBFEANA-UHFFFAOYSA-N 1 0 373.457 2.655 20 5 FFBDRO CCOc1cc([N+](=O)[O-])ccc1N(Cc1ccccc1)C1(C[NH3+])COC1 ZINC001167370856 962452910 /nfs/dbraw/zinc/45/29/10/962452910.db2.gz BNRREBILGZVTAP-UHFFFAOYSA-N 1 0 357.410 2.728 20 5 FFBDRO COC(=O)[C@@]1(C)C[N@@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]1C ZINC001175300896 1013432257 /nfs/dbraw/zinc/43/22/57/1013432257.db2.gz IVEGPSZFKWUCFZ-IUUKEHGRSA-N 1 0 374.397 2.837 20 5 FFBDRO CCc1cc(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC001266777587 964071007 /nfs/dbraw/zinc/07/10/07/964071007.db2.gz WDGAAPGDONSFJU-STQMWFEESA-N 1 0 356.426 2.796 20 5 FFBDRO O=C(NCC1([NH2+]CCc2ccc(Cl)cc2)CCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001482219111 964150776 /nfs/dbraw/zinc/15/07/76/964150776.db2.gz ZAMAYCPGETUKAL-HZPDHXFCSA-N 1 0 365.861 2.566 20 5 FFBDRO CC(C)CC(=O)N1CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC001175570045 1013513023 /nfs/dbraw/zinc/51/30/23/1013513023.db2.gz UKZQTYMJRNODCX-UHFFFAOYSA-N 1 0 363.458 2.944 20 5 FFBDRO CCc1ccc([C@@H]2C[NH2+]CCN2C(=O)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000261950248 964963622 /nfs/dbraw/zinc/96/36/22/964963622.db2.gz LLQGHGSEUKEKCY-SFHVURJKSA-N 1 0 354.410 2.526 20 5 FFBDRO CCCn1ccnc1CCC[N@H+](C)Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000894478464 965404854 /nfs/dbraw/zinc/40/48/54/965404854.db2.gz BCXIQEQAEUQJMW-UHFFFAOYSA-N 1 0 362.430 2.980 20 5 FFBDRO C/C(=C/C(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000785109945 966001931 /nfs/dbraw/zinc/00/19/31/966001931.db2.gz QRQRLSJDFBWYFM-WPTSLCKYSA-N 1 0 361.442 2.614 20 5 FFBDRO O=C(NCCC[NH+]1CCCC1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000061238980 967048443 /nfs/dbraw/zinc/04/84/43/967048443.db2.gz NIJXEAIXSBUGGH-UHFFFAOYSA-N 1 0 360.458 2.801 20 5 FFBDRO C[C@H](C[N+](C)(C)C)Oc1ncc(Cl)cc1I ZINC001226427947 967254352 /nfs/dbraw/zinc/25/43/52/967254352.db2.gz VTNKXWPPKJHGRD-MRVPVSSYSA-N 1 0 355.627 2.813 20 5 FFBDRO COc1c(O)ccc(CNc2cccc(OCC[NH+](C)C)c2)c1[N+](=O)[O-] ZINC000892330271 967336813 /nfs/dbraw/zinc/33/68/13/967336813.db2.gz HJECUNBFLJVGNB-UHFFFAOYSA-N 1 0 361.398 2.862 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)n1 ZINC001270925153 967823049 /nfs/dbraw/zinc/82/30/49/967823049.db2.gz HZRQEABZRUUDLR-FQEVSTJZSA-N 1 0 368.437 2.940 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(Br)c(O[C@@H]2CCC[NH2+]C[C@@H]2F)c1 ZINC001217951732 969205110 /nfs/dbraw/zinc/20/51/10/969205110.db2.gz QNFMREXIXNEGCR-VHSXEESVSA-N 1 0 351.147 2.965 20 5 FFBDRO Cn1c2ccccc2c(N2CCC[C@H]([NH+]3CCCC3)CC2)c([N+](=O)[O-])c1=O ZINC000892618364 969611390 /nfs/dbraw/zinc/61/13/90/969611390.db2.gz KBOVBFFFCBWGQN-HNNXBMFYSA-N 1 0 370.453 2.901 20 5 FFBDRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000874846339 1013917245 /nfs/dbraw/zinc/91/72/45/1013917245.db2.gz IRBPBBSGYZUSKX-ROUUACIJSA-N 1 0 358.442 2.504 20 5 FFBDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000066726811 970015563 /nfs/dbraw/zinc/01/55/63/970015563.db2.gz PIAYNMCKCLAEHC-UHFFFAOYSA-N 1 0 356.426 2.901 20 5 FFBDRO C[C@@H]1C[NH2+]CC[C@@H]1Oc1ccc(I)cc1[N+](=O)[O-] ZINC001218412379 970046712 /nfs/dbraw/zinc/04/67/12/970046712.db2.gz FFLBBSSJSNPRGH-KCJUWKMLSA-N 1 0 362.167 2.576 20 5 FFBDRO O=[N+]([O-])c1ccc(F)c(Br)c1O[C@@H]1C[NH2+]CCC1(F)F ZINC001218453743 970218358 /nfs/dbraw/zinc/21/83/58/970218358.db2.gz LIBQAUUUKFXBGF-MRVPVSSYSA-N 1 0 355.110 2.872 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2cnn(CN3CC[NH+](C4CCCC4)CC3)c2)cc1 ZINC000103457711 970403186 /nfs/dbraw/zinc/40/31/86/970403186.db2.gz LVJRWDVSQJSKJS-UHFFFAOYSA-N 1 0 355.442 2.976 20 5 FFBDRO Cn1c2ccccc2c(N2CCC3(CCC[N@@H+]3C)CC2)c([N+](=O)[O-])c1=O ZINC000893091729 970582734 /nfs/dbraw/zinc/58/27/34/970582734.db2.gz FUAYDEOEVVDMBD-UHFFFAOYSA-N 1 0 356.426 2.511 20 5 FFBDRO CC(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)C[C@@H]2C1 ZINC000895575728 970749886 /nfs/dbraw/zinc/74/98/86/970749886.db2.gz GXGQCZMSCZIVQR-GASCZTMLSA-N 1 0 355.394 2.765 20 5 FFBDRO CCOC(=O)Cc1ccc(N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c([N+](=O)[O-])c1 ZINC000825842156 1014110569 /nfs/dbraw/zinc/11/05/69/1014110569.db2.gz ZJDYMPHCSFILGF-CVEARBPZSA-N 1 0 361.442 2.621 20 5 FFBDRO Cc1cc(NCC[NH+]2CCSCC2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001167834191 976367032 /nfs/dbraw/zinc/36/70/32/976367032.db2.gz AIKSJZVLZCWGOI-UHFFFAOYSA-N 1 0 359.455 2.821 20 5 FFBDRO CCCc1ccc(C[N@@H+]2CCCC3(CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)C2)cc1 ZINC000981765132 976764230 /nfs/dbraw/zinc/76/42/30/976764230.db2.gz QTXYYCPSIZHWNB-RTBURBONSA-N 1 0 371.481 2.729 20 5 FFBDRO CCC1([NH+]2CCC2)CCN(C(=O)COc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000899557534 977233031 /nfs/dbraw/zinc/23/30/31/977233031.db2.gz TZQBHNYLZIGMRY-UHFFFAOYSA-N 1 0 361.442 2.759 20 5 FFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C3CCN(CCc4ccccc4)CC3)C2)c1 ZINC000876920664 1014420694 /nfs/dbraw/zinc/42/06/94/1014420694.db2.gz ZLZIHUOZRRJWRT-UHFFFAOYSA-N 1 0 369.469 2.792 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000876943858 1014426974 /nfs/dbraw/zinc/42/69/74/1014426974.db2.gz HLNQGGOLJZJVJB-ZMSDIMECSA-N 1 0 361.442 2.570 20 5 FFBDRO C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000877019887 1014450290 /nfs/dbraw/zinc/45/02/90/1014450290.db2.gz HGSSRDHKOZHHGL-DVHLICQRSA-N 1 0 355.442 2.920 20 5 FFBDRO COc1ccc2[nH]cc(CC[NH2+]C3CC(n4cc([N+](=O)[O-])cn4)C3)c2c1 ZINC000877036277 1014458348 /nfs/dbraw/zinc/45/83/48/1014458348.db2.gz FDAFTVQQOODXCF-UHFFFAOYSA-N 1 0 355.398 2.817 20 5 FFBDRO C[C@H]1C[C@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CN1Cc1ccccc1 ZINC000877093796 1014475232 /nfs/dbraw/zinc/47/52/32/1014475232.db2.gz FECWCGFWSXUXHK-VNCIIQTRSA-N 1 0 355.442 2.747 20 5 FFBDRO CC[NH+]1CCN(c2cccc(NC3CC(n4cc([N+](=O)[O-])cn4)C3)c2)CC1 ZINC000877402583 1014573412 /nfs/dbraw/zinc/57/34/12/1014573412.db2.gz FQEVJBWZWBABRI-UHFFFAOYSA-N 1 0 370.457 2.749 20 5 FFBDRO O=C1OCCN1C[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000877555229 1014625945 /nfs/dbraw/zinc/62/59/45/1014625945.db2.gz UZRKINZZMUEVFB-LLVKDONJSA-N 1 0 373.331 2.888 20 5 FFBDRO O=C(COc1ccc([C@H]2CCC[NH2+]2)cc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000905617957 980478665 /nfs/dbraw/zinc/47/86/65/980478665.db2.gz TYINVXSCQJBYRU-GOSISDBHSA-N 1 0 367.405 2.987 20 5 FFBDRO COC(=O)C[C@@H]1C[N@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C[C@H]1C ZINC000905711483 980493657 /nfs/dbraw/zinc/49/36/57/980493657.db2.gz FIWRWNQDTIVDCX-UKRRQHHQSA-N 1 0 358.398 2.547 20 5 FFBDRO O=c1oc2cccc([N+](=O)[O-])c2n1CN1CCC[C@H](Cc2nccs2)C1 ZINC000905733876 980501717 /nfs/dbraw/zinc/50/17/17/980501717.db2.gz JXCZVYJSQSIQRF-GFCCVEGCSA-N 1 0 374.422 2.871 20 5 FFBDRO C[NH+](C)CC[C@H](NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])c1cccnc1 ZINC000906284353 980614664 /nfs/dbraw/zinc/61/46/64/980614664.db2.gz KFCKAQXJOQTFJT-HNNXBMFYSA-N 1 0 364.352 2.691 20 5 FFBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC(C[NH+]2CCCC2)CC1 ZINC000134601206 981252986 /nfs/dbraw/zinc/25/29/86/981252986.db2.gz NZWURAIPZBVBTI-UHFFFAOYSA-N 1 0 370.453 2.953 20 5 FFBDRO COc1ccc(C[NH2+][C@@H]2CCN(C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000729681894 981283820 /nfs/dbraw/zinc/28/38/20/981283820.db2.gz MNJQUSHHGPYWEG-QGZVFWFLSA-N 1 0 371.437 2.976 20 5 FFBDRO Cn1cc(C[N@@H+]2CCC[C@@H](C(C)(C)O)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000877797069 1014730627 /nfs/dbraw/zinc/73/06/27/1014730627.db2.gz PRKHQVYBEMCRCG-MRXNPFEDSA-N 1 0 358.442 2.978 20 5 FFBDRO COc1cc(C[N@@H+]2CC[C@@H](C(C)(C)O)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000877835396 1014749150 /nfs/dbraw/zinc/74/91/50/1014749150.db2.gz ADWQXIOPCAKARK-GFCCVEGCSA-N 1 0 374.384 2.840 20 5 FFBDRO CC(C)[NH+](CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2)C(C)C ZINC000877922369 1014766986 /nfs/dbraw/zinc/76/69/86/1014766986.db2.gz CSLNECWGJDWOCY-UHFFFAOYSA-N 1 0 365.430 2.605 20 5 FFBDRO CN(c1ccc2ncccc2c1[N+](=O)[O-])[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000764144206 984314773 /nfs/dbraw/zinc/31/47/73/984314773.db2.gz WGSDXLCGQUABLB-INIZCTEOSA-N 1 0 369.469 2.748 20 5 FFBDRO CC(C)(C)OC(=O)NC[C@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000170647470 985103694 /nfs/dbraw/zinc/10/36/94/985103694.db2.gz UNNQNMXZGLZCKG-CQSZACIVSA-N 1 0 365.430 2.820 20 5 FFBDRO Cc1cc(NC(=O)N2CCC([NH2+]C3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000879121168 1015372601 /nfs/dbraw/zinc/37/26/01/1015372601.db2.gz CDKOETNOHWJPAB-UHFFFAOYSA-N 1 0 362.430 2.668 20 5 FFBDRO CC(C)(C)[NH+]1CCC(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000193450954 988384786 /nfs/dbraw/zinc/38/47/86/988384786.db2.gz PPZHILJKCKZZHP-UHFFFAOYSA-N 1 0 371.441 2.773 20 5 FFBDRO C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000888278589 988653353 /nfs/dbraw/zinc/65/33/53/988653353.db2.gz ZDABKHACLABWET-LBPRGKRZSA-N 1 0 359.361 2.872 20 5 FFBDRO COc1cc(C[NH2+][C@H](CO)CCc2ccccc2)c([N+](=O)[O-])cc1OC ZINC000922544183 988687832 /nfs/dbraw/zinc/68/78/32/988687832.db2.gz KUHPTXUIBRMONB-INIZCTEOSA-N 1 0 360.410 2.695 20 5 FFBDRO COc1cccc(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000194368627 989220063 /nfs/dbraw/zinc/22/00/63/989220063.db2.gz YNQZFGNMJRVDTI-MRXNPFEDSA-N 1 0 369.421 2.998 20 5 FFBDRO CC1CCC([N@H+](C)CN2C(=O)N[C@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)CC1 ZINC000917456318 990223574 /nfs/dbraw/zinc/22/35/74/990223574.db2.gz OMQIIRXEMOGQTB-TYJKZOGGSA-N 1 0 374.441 2.830 20 5 FFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(CC[N@H+](C/C=C/c3ccccc3)C2)CC1 ZINC001035186685 990409467 /nfs/dbraw/zinc/40/94/67/990409467.db2.gz JKKWZPIOAVYNCR-LVLPYEQSSA-N 1 0 369.465 2.680 20 5 FFBDRO Cc1ccc([C@@H](O)C[NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000130674535 990709780 /nfs/dbraw/zinc/70/97/80/990709780.db2.gz YUIDTYAUVHMGNX-KSSFIOAISA-N 1 0 357.410 2.944 20 5 FFBDRO COc1cccc2c1CC[C@]2(CO)NCc1cc([N+](=O)[O-])ccc1OC ZINC000880380708 1015821971 /nfs/dbraw/zinc/82/19/71/1015821971.db2.gz WLHQRFWIOFKJLN-LJQANCHMSA-N 1 0 358.394 2.536 20 5 FFBDRO CC1([NH+]2CCC2)CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000880474391 1015845207 /nfs/dbraw/zinc/84/52/07/1015845207.db2.gz GOSVUYXNNJSEJG-UHFFFAOYSA-N 1 0 357.414 2.705 20 5 FFBDRO O=C([C@@H]1CCC[N@@H+]1C1CCCC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000747648454 994966784 /nfs/dbraw/zinc/96/67/84/994966784.db2.gz IGYDXBZNYWYWMY-IBGZPJMESA-N 1 0 372.469 2.650 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)OCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000811445851 995148859 /nfs/dbraw/zinc/14/88/59/995148859.db2.gz WRMUGSNPRODSPS-MRXNPFEDSA-N 1 0 369.349 2.759 20 5 FFBDRO O=[N+]([O-])c1cn(C[N@@H+]2CCC[C@H]([C@@H]3CCOC3)C2)nc1-c1ccncc1 ZINC000747828600 995573615 /nfs/dbraw/zinc/57/36/15/995573615.db2.gz GVNYXLPGNJUNNK-JKSUJKDBSA-N 1 0 357.414 2.559 20 5 FFBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)cc1[N+](=O)[O-] ZINC000813330186 995666318 /nfs/dbraw/zinc/66/63/18/995666318.db2.gz UMGOASWIBJZVPR-RYUDHWBXSA-N 1 0 368.393 2.845 20 5 FFBDRO C[N@@H+]1CCC[C@@H](Oc2ccc(I)cc2[N+](=O)[O-])C1 ZINC001229941258 997281042 /nfs/dbraw/zinc/28/10/42/997281042.db2.gz PXCOVOXPNYBGLW-SNVBAGLBSA-N 1 0 362.167 2.672 20 5 FFBDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000825393748 997359948 /nfs/dbraw/zinc/35/99/48/997359948.db2.gz KOMGUPJLSRQRQR-CPUCHLNUSA-N 1 0 363.458 2.501 20 5 FFBDRO Cc1c(C(=O)N2[C@H](C)C[N@H+](C)[C@H](C)[C@H]2C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000844647339 998057934 /nfs/dbraw/zinc/05/79/34/998057934.db2.gz YQUAJIRSHOPSRQ-OASPWFOLSA-N 1 0 364.402 2.673 20 5 FFBDRO COc1cc2c(cc1C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)O[C@@H](C)C2 ZINC000731678718 998145728 /nfs/dbraw/zinc/14/57/28/998145728.db2.gz ONTXIOMBXRQUCY-YVEFUNNKSA-N 1 0 358.394 2.750 20 5 FFBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)c1ccc(C[NH+]2CCCC2)o1 ZINC001144413171 998503251 /nfs/dbraw/zinc/50/32/51/998503251.db2.gz AEJNAKKEIZJJCE-UHFFFAOYSA-N 1 0 359.382 2.592 20 5 FFBDRO O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000732567785 998704679 /nfs/dbraw/zinc/70/46/79/998704679.db2.gz JEPIQLQMPMCIEB-MRXNPFEDSA-N 1 0 358.442 2.552 20 5 FFBDRO COc1ccc(OCCOC(=O)CC[C@H]2CCCC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC000803855703 1016244452 /nfs/dbraw/zinc/24/44/52/1016244452.db2.gz JNAJPVNJHGBIGR-CQSZACIVSA-N 1 0 366.414 2.790 20 5 FFBDRO CN(CC[NH+]1CCN(c2ccccc2)CC1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000738340655 999624790 /nfs/dbraw/zinc/62/47/90/999624790.db2.gz NYOFNSFJSDKQLK-UHFFFAOYSA-N 1 0 372.444 2.988 20 5 FFBDRO Cc1c(C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000741579292 999732398 /nfs/dbraw/zinc/73/23/98/999732398.db2.gz LBKYRFSFRUIMJM-QMTHXVAHSA-N 1 0 364.402 2.532 20 5 FFBDRO CC(C)C1CCN(CN2C(=O)N[C@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)CC1 ZINC000742170159 999760880 /nfs/dbraw/zinc/76/08/80/999760880.db2.gz XPUQBVCTQSDASB-LJQANCHMSA-N 1 0 374.441 2.687 20 5 FFBDRO C[C@@H]1CCC[C@@H](C)[N@H+](CN2C(=O)N[C@@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000742155139 999762240 /nfs/dbraw/zinc/76/22/40/999762240.db2.gz PNTNHTMIXHSZSG-LPMFXHHGSA-N 1 0 374.441 2.830 20 5 FFBDRO COc1cc(CC[NH2+]C[C@@H](O)c2ccccc2C)c([N+](=O)[O-])cc1OC ZINC000743255417 999809241 /nfs/dbraw/zinc/80/92/41/999809241.db2.gz FGIFZBIPOVNCLH-QGZVFWFLSA-N 1 0 360.410 2.786 20 5 FFBDRO CC(C)C[C@H]1CC[N@H+](CN2C(=O)N[C@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000744437104 999856432 /nfs/dbraw/zinc/85/64/32/999856432.db2.gz GUBSHIPGRUNEQI-AUUYWEPGSA-N 1 0 374.441 2.687 20 5 FFBDRO [NH3+]Cc1ccc2ncn(-c3cnc(Oc4ccc([N+](=O)[O-])cc4)nc3)c2c1 ZINC001168844569 1000003120 /nfs/dbraw/zinc/00/31/20/1000003120.db2.gz PHZCGNVYFBIIOI-UHFFFAOYSA-N 1 0 362.349 2.975 20 5 FFBDRO COc1c([N+](=O)[O-])cc(Cl)c(C)c1-n1nnc(-c2cccc(C[NH3+])c2)n1 ZINC001168887927 1000007035 /nfs/dbraw/zinc/00/70/35/1000007035.db2.gz OQMBUPCTWYZXEY-UHFFFAOYSA-N 1 0 374.788 2.667 20 5 FFBDRO CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]([NH2+][C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@@H]2C1 ZINC001168965055 1000013229 /nfs/dbraw/zinc/01/32/29/1000013229.db2.gz XPMQAGBCWOINFC-LJIZCISZSA-N 1 0 353.463 2.667 20 5 FFBDRO CC(C)(C)OC(=O)N1CC[C@H](F)[C@H](C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168975773 1000013663 /nfs/dbraw/zinc/01/36/63/1000013663.db2.gz XBKNROZCEGUHTA-YJNKXOJESA-N 1 0 359.442 2.617 20 5 FFBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H]2CCCN(c3ncnc4ccccc43)C2)C1 ZINC001168998205 1000014150 /nfs/dbraw/zinc/01/41/50/1000014150.db2.gz JPHCSYXPOKKWMY-PMPSAXMXSA-N 1 0 355.442 2.634 20 5 FFBDRO O=C1c2ccccc2CN1[C@H]1CC[C@H]([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168998129 1000014256 /nfs/dbraw/zinc/01/42/56/1000014256.db2.gz IOLISOZARYUEHP-OWLYRPNTSA-N 1 0 357.454 2.989 20 5 FFBDRO COc1ccc(F)cc1CN1CCC([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168996020 1000014290 /nfs/dbraw/zinc/01/42/90/1000014290.db2.gz UBUNPGAMETUEGZ-KSSFIOAISA-N 1 0 365.449 2.834 20 5 FFBDRO C[C@@H]1CC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001169006446 1000014947 /nfs/dbraw/zinc/01/49/47/1000014947.db2.gz IHVGHETWZLSZTQ-LVQVYYBASA-N 1 0 355.479 2.915 20 5 FFBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]C2CCN(Cc3cc(F)cc(F)c3)CC2)C1 ZINC001168990670 1000016243 /nfs/dbraw/zinc/01/62/43/1000016243.db2.gz CZOVTOMACAEAFV-SCLBCKFNSA-N 1 0 353.413 2.964 20 5 FFBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCC(Oc3cnc4ccccc4n3)CC2)C1 ZINC001169035820 1000016788 /nfs/dbraw/zinc/01/67/88/1000016788.db2.gz CNDGCIUQGSGXTN-GJZGRUSLSA-N 1 0 356.426 2.918 20 5 FFBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCN(c3ncc(Cl)cc3Cl)CC2)C1 ZINC001169038948 1000017043 /nfs/dbraw/zinc/01/70/43/1000017043.db2.gz LTCMFMJGDXBQPV-WCQYABFASA-N 1 0 359.257 2.956 20 5 FFBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCC3(CCOC[C@H]3COCC3CC3)CC2)C1 ZINC001169018692 1000017170 /nfs/dbraw/zinc/01/71/70/1000017170.db2.gz BXGRXPNXYHWQIA-CEXWTWQISA-N 1 0 366.502 2.977 20 5 FFBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCC3(C[C@H](Oc4cccnc4)CO3)CC2)C1 ZINC001169019325 1000017649 /nfs/dbraw/zinc/01/76/49/1000017649.db2.gz HUWVIUDJBVDIRV-NUJGCVRESA-N 1 0 361.442 2.529 20 5 FFBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCC(Oc3ncnc4ccccc43)CC2)C1 ZINC001169057923 1000019221 /nfs/dbraw/zinc/01/92/21/1000019221.db2.gz ZBKLONGPGWLRAV-CABCVRRESA-N 1 0 356.426 2.918 20 5 FFBDRO CCOC(=O)C1(Nc2ccnc3c2cccc3[N+](=O)[O-])CC[NH+](C)CC1 ZINC001169495638 1000053659 /nfs/dbraw/zinc/05/36/59/1000053659.db2.gz KPBYHDHKLYFUHO-UHFFFAOYSA-N 1 0 358.398 2.582 20 5 FFBDRO CN(CC1CC[NH+](C)CC1)C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000103453154 1000085990 /nfs/dbraw/zinc/08/59/90/1000085990.db2.gz VVOPPXKFQOLLOE-UHFFFAOYSA-N 1 0 360.458 2.609 20 5 FFBDRO CCOc1ccc([C@H](C)[NH2+]Cc2ccc(-n3cncn3)nc2)cc1[N+](=O)[O-] ZINC000768091859 1000178560 /nfs/dbraw/zinc/17/85/60/1000178560.db2.gz BODKHTKTMXBCCV-ZDUSSCGKSA-N 1 0 368.397 2.820 20 5 FFBDRO CC[N@H+](CCCNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000846368737 1000290477 /nfs/dbraw/zinc/29/04/77/1000290477.db2.gz HSTLZOZKGRXLPR-SFHVURJKSA-N 1 0 363.458 2.789 20 5 FFBDRO C[C@@]1(NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC[N@H+](Cc2ccccc2)C1 ZINC000846593790 1000382425 /nfs/dbraw/zinc/38/24/25/1000382425.db2.gz SOBXUOHAEKWUDW-LJQANCHMSA-N 1 0 372.400 2.711 20 5 FFBDRO C[NH2+]Cc1ccccc1CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000846690385 1000409866 /nfs/dbraw/zinc/40/98/66/1000409866.db2.gz BWGBVKIYZWKVDW-UHFFFAOYSA-N 1 0 368.437 2.844 20 5 FFBDRO O=[N+]([O-])c1ccccc1-c1ccc(CN2CC[NH+](CCCCO)CC2)o1 ZINC000769394003 1000517969 /nfs/dbraw/zinc/51/79/69/1000517969.db2.gz HFAFLQHLSLYVEG-UHFFFAOYSA-N 1 0 359.426 2.745 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC001147493646 1000905083 /nfs/dbraw/zinc/90/50/83/1000905083.db2.gz FHABEAJJXGEPBL-SWLSCSKDSA-N 1 0 353.850 2.979 20 5 FFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001148387427 1001131126 /nfs/dbraw/zinc/13/11/26/1001131126.db2.gz CRGSMKCQTNVKAB-AUUYWEPGSA-N 1 0 368.437 2.817 20 5 FFBDRO Brc1ccc2ccc3ccc(NC[C@@H]4COCC[NH2+]4)nc3c2n1 ZINC001170045847 1001430054 /nfs/dbraw/zinc/43/00/54/1001430054.db2.gz VUCIJZWAKVMIOU-CYBMUJFWSA-N 1 0 373.254 2.946 20 5 FFBDRO C[NH+]1CCC(n2ccc(NC(=O)/C=C\c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000786190882 1001546054 /nfs/dbraw/zinc/54/60/54/1001546054.db2.gz CMWQRXPLBVRXCP-DAXSKMNVSA-N 1 0 355.398 2.710 20 5 FFBDRO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccc(N2CCNC2=O)cc1 ZINC000786851550 1001634886 /nfs/dbraw/zinc/63/48/86/1001634886.db2.gz AXYVWJWSCFBEKM-AWEZNQCLSA-N 1 0 370.409 2.854 20 5 FFBDRO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000746665835 1001680633 /nfs/dbraw/zinc/68/06/33/1001680633.db2.gz GTXKJMCWYHXOAB-UKRRQHHQSA-N 1 0 367.450 2.559 20 5 FFBDRO C[NH+](C)CCOc1ccccc1CNc1nc2ccccn2c1[N+](=O)[O-] ZINC000746719498 1001739362 /nfs/dbraw/zinc/73/93/62/1001739362.db2.gz FWNPTATVPSIUJY-UHFFFAOYSA-N 1 0 355.398 2.795 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CCOC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000788178830 1001764452 /nfs/dbraw/zinc/76/44/52/1001764452.db2.gz FXPPKCVCQQMHKD-UHFFFAOYSA-N 1 0 358.398 2.553 20 5 FFBDRO C[C@@H]([NH2+]CC1(N(C)C)Cc2ccccc2C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788608492 1001824632 /nfs/dbraw/zinc/82/46/32/1001824632.db2.gz GKRZHBSPYUMZKH-CQSZACIVSA-N 1 0 354.454 2.927 20 5 FFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCN1C[C@H]2CCCCN2C1=O ZINC001182977307 1002125636 /nfs/dbraw/zinc/12/56/36/1002125636.db2.gz DMEYMVGTJQPKNE-VHUCWBOISA-N 1 0 358.442 2.878 20 5 FFBDRO Cn1ncc2c1CN(CC1CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC1)C2 ZINC001183037630 1002129776 /nfs/dbraw/zinc/12/97/76/1002129776.db2.gz ZAXJBVAFYWENRC-UHFFFAOYSA-N 1 0 369.469 2.599 20 5 FFBDRO COc1c(O)ccc(CN2CC3(C2)C[NH+](Cc2ccccc2)C3)c1[N+](=O)[O-] ZINC001183301501 1002228473 /nfs/dbraw/zinc/22/84/73/1002228473.db2.gz WOZSTHPDSSWHBI-UHFFFAOYSA-N 1 0 369.421 2.627 20 5 FFBDRO O=C1OCC[C@@H]1CCC[NH2+]Cc1c(Br)cccc1[N+](=O)[O-] ZINC001203566154 1002242411 /nfs/dbraw/zinc/24/24/11/1002242411.db2.gz OWEBQEPYSCPHMO-JTQLQIEISA-N 1 0 357.204 2.790 20 5 FFBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)[N@@H+]1CCC[C@H](C)C1 ZINC000791207737 1002617879 /nfs/dbraw/zinc/61/78/79/1002617879.db2.gz CQZJGEUIYDIDHM-QWHCGFSZSA-N 1 0 366.437 2.650 20 5 FFBDRO CN(C)c1cc(F)c(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)cc1[N+](=O)[O-] ZINC000791366037 1002682354 /nfs/dbraw/zinc/68/23/54/1002682354.db2.gz FSHRGXMKJYSXHU-MRXNPFEDSA-N 1 0 368.453 2.896 20 5 FFBDRO CCOC(=O)C1(C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCCC1 ZINC000792196517 1002940741 /nfs/dbraw/zinc/94/07/41/1002940741.db2.gz UZFHFHAJBIWMHF-UHFFFAOYSA-N 1 0 364.398 2.579 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)cc1F ZINC001185413707 1002948985 /nfs/dbraw/zinc/94/89/85/1002948985.db2.gz WXTVBQKSQXCUBX-STQMWFEESA-N 1 0 373.450 2.584 20 5 FFBDRO O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc2c[nH+]cn2c1 ZINC000792546835 1003026561 /nfs/dbraw/zinc/02/65/61/1003026561.db2.gz RLDSTFIZPLTCBN-UHFFFAOYSA-N 1 0 365.305 2.650 20 5 FFBDRO COc1ccc(C[C@H](C)[NH2+]C[C@@]2(O)CCOc3ccccc32)c([N+](=O)[O-])c1 ZINC001170304459 1003092663 /nfs/dbraw/zinc/09/26/63/1003092663.db2.gz BZZHOLWBYTURMN-XOBRGWDASA-N 1 0 372.421 2.794 20 5 FFBDRO COc1ccc([C@H](CO)[NH2+][C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC001170304736 1003093328 /nfs/dbraw/zinc/09/33/28/1003093328.db2.gz GJWVOEWLESVBGQ-ACJLOTCBSA-N 1 0 360.410 2.866 20 5 FFBDRO COC(=O)C[C@@H]([NH2+][C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])c1ccccn1 ZINC001170319673 1003108701 /nfs/dbraw/zinc/10/87/01/1003108701.db2.gz YLTCGFBFMABKBA-SUMWQHHRSA-N 1 0 373.409 2.823 20 5 FFBDRO COc1ccc(C[C@@H](C)Nc2ccc([C@H](C[NH3+])CO)cc2)c([N+](=O)[O-])c1 ZINC001170327468 1003114896 /nfs/dbraw/zinc/11/48/96/1003114896.db2.gz RVXDGHCAIZJNFS-CZUORRHYSA-N 1 0 359.426 2.681 20 5 FFBDRO COc1ccc(C[C@@H](C)[NH2+]CCC(=O)Nc2nccs2)c([N+](=O)[O-])c1 ZINC001170306677 1003119340 /nfs/dbraw/zinc/11/93/40/1003119340.db2.gz ZWMWWNALCGKNKK-LLVKDONJSA-N 1 0 364.427 2.609 20 5 FFBDRO COc1ccc(C[C@H](C)[N@H+](C)[C@@H]2CCC3(C2)OCCO3)c([N+](=O)[O-])c1 ZINC001170354372 1003120910 /nfs/dbraw/zinc/12/09/10/1003120910.db2.gz JVJNEBXINALODY-DZGCQCFKSA-N 1 0 350.415 2.762 20 5 FFBDRO COc1ccc(C[C@H](C)[N@H+](C(C)C)[C@H]2CCN(C(C)=O)C2)c([N+](=O)[O-])c1 ZINC001170354652 1003121677 /nfs/dbraw/zinc/12/16/77/1003121677.db2.gz NMDSRKDFAOHRGN-YOEHRIQHSA-N 1 0 363.458 2.866 20 5 FFBDRO COc1ccc(C[C@H](C)[N@@H+]2CCC[C@@]3(CCCC(=O)N3)C2)c([N+](=O)[O-])c1 ZINC001170341085 1003129350 /nfs/dbraw/zinc/12/93/50/1003129350.db2.gz NEEDQVBKEIKCFU-LIRRHRJNSA-N 1 0 361.442 2.669 20 5 FFBDRO COc1ccc(C[C@@H](C)N(c2ncccn2)C2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC001170345186 1003132266 /nfs/dbraw/zinc/13/22/66/1003132266.db2.gz HRRMFLXYKAIZBE-CQSZACIVSA-N 1 0 371.441 2.583 20 5 FFBDRO O=C(O[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1)c1ccc2c[nH+]cn2c1 ZINC000793277197 1003324252 /nfs/dbraw/zinc/32/42/52/1003324252.db2.gz IQESNNGJCBMTBH-OAHLLOKOSA-N 1 0 370.340 2.817 20 5 FFBDRO O=[N+]([O-])c1cccc([N+](=O)[O-])c1NC1CC[NH+](Cc2cccnc2)CC1 ZINC000804655559 1003769063 /nfs/dbraw/zinc/76/90/63/1003769063.db2.gz RYIXRTNCOGPTAQ-UHFFFAOYSA-N 1 0 357.370 2.975 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H](n2ccnn2)CC1 ZINC001196525227 1003805026 /nfs/dbraw/zinc/80/50/26/1003805026.db2.gz FENXPDGIZGFHBO-HNNXBMFYSA-N 1 0 372.429 2.551 20 5 FFBDRO CCc1nn(C)c(Nc2ccc(N3CC[NH+](CC)CC3)cc2)c1[N+](=O)[O-] ZINC000807917601 1004718570 /nfs/dbraw/zinc/71/85/70/1004718570.db2.gz HFBQWPTUZCTPMD-UHFFFAOYSA-N 1 0 358.446 2.776 20 5 FFBDRO CC[C@H]([NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)N1CCOCC1 ZINC001200879441 1005138431 /nfs/dbraw/zinc/13/84/31/1005138431.db2.gz ITQKKKTUMRUKEE-KRWDZBQOSA-N 1 0 373.409 2.582 20 5 FFBDRO O=C(c1ccccc1)N1CCC([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776276522 1005343078 /nfs/dbraw/zinc/34/30/78/1005343078.db2.gz NNHOWMPSGHGVNL-IBGZPJMESA-N 1 0 369.421 2.523 20 5 FFBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000850723244 1005834775 /nfs/dbraw/zinc/83/47/75/1005834775.db2.gz KIFJXTIAZWYPIF-SJLPKXTDSA-N 1 0 368.437 2.618 20 5 FFBDRO CO[C@H]1CC[C@H]([N@@H+]2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)C1 ZINC000851935807 1005924564 /nfs/dbraw/zinc/92/45/64/1005924564.db2.gz SNPUZCUKLCVTRN-ZFWWWQNUSA-N 1 0 359.430 2.551 20 5 FFBDRO Cn1c(C(=O)O[C@H]2CC[N@H+](Cc3ccc4c(c3)CCC4)C2)ccc1[N+](=O)[O-] ZINC000776557938 1005928843 /nfs/dbraw/zinc/92/88/43/1005928843.db2.gz LDLFNPCFXQENBE-KRWDZBQOSA-N 1 0 369.421 2.853 20 5 FFBDRO CCN(C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000776582878 1005954388 /nfs/dbraw/zinc/95/43/88/1005954388.db2.gz CZPABNTVACQBQA-MOPGFXCFSA-N 1 0 369.421 2.756 20 5 FFBDRO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776580512 1005961229 /nfs/dbraw/zinc/96/12/29/1005961229.db2.gz VYLMDUQXSLRZSW-QILLFSRXSA-N 1 0 363.458 2.645 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH+]2CCC(OC[C@H]3CCCCO3)CC2)cc1 ZINC000776590412 1005993280 /nfs/dbraw/zinc/99/32/80/1005993280.db2.gz DIGVSIARGQGNFL-RTBURBONSA-N 1 0 364.442 2.678 20 5 FFBDRO O=C(NCC1CC[NH+](CC2CC2)CC1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000852704584 1006151359 /nfs/dbraw/zinc/15/13/59/1006151359.db2.gz DYDNMXPRCMFLCD-UHFFFAOYSA-N 1 0 372.469 2.785 20 5 FFBDRO C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CCN1c1cc[nH+]cc1 ZINC000881630785 1006162253 /nfs/dbraw/zinc/16/22/53/1006162253.db2.gz NAUVXMVHZYSNPZ-MDASCCDHSA-N 1 0 366.421 2.831 20 5 FFBDRO C[C@H]1CN(C(=O)c2cc(F)c([N+](=O)[O-])cc2F)CCN1c1cc[nH+]cc1 ZINC000881637361 1006168277 /nfs/dbraw/zinc/16/82/77/1006168277.db2.gz YIUCFILZARYGIS-NSHDSACASA-N 1 0 362.336 2.619 20 5 FFBDRO CC(C)(C)OC(=O)[C@H](C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000853133602 1006308707 /nfs/dbraw/zinc/30/87/07/1006308707.db2.gz LROYIVFXMUMBSL-IAGOWNOFSA-N 1 0 364.442 2.976 20 5 FFBDRO CC(C)(C)CC[NH+]1CCN(Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)CC1 ZINC000853492085 1006410354 /nfs/dbraw/zinc/41/03/54/1006410354.db2.gz XYEVTUPLFJPXRM-UHFFFAOYSA-N 1 0 372.473 2.865 20 5 FFBDRO CC(=O)c1c(NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cccc1[N+](=O)[O-] ZINC000882598682 1006451771 /nfs/dbraw/zinc/45/17/71/1006451771.db2.gz JMGNLKDXXHYUSY-QGZVFWFLSA-N 1 0 369.421 2.976 20 5 FFBDRO CC(=O)c1c(NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cccc1[N+](=O)[O-] ZINC000882598681 1006452213 /nfs/dbraw/zinc/45/22/13/1006452213.db2.gz JMGNLKDXXHYUSY-KRWDZBQOSA-N 1 0 369.421 2.976 20 5 FFBDRO C[C@H]1CN(c2ncnc3ccc([N+](=O)[O-])cc32)CCN1c1cc[nH+]cc1 ZINC000882821849 1006520536 /nfs/dbraw/zinc/52/05/36/1006520536.db2.gz MFFCJCGPWVXOOB-ZDUSSCGKSA-N 1 0 350.382 2.648 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000853812277 1006543019 /nfs/dbraw/zinc/54/30/19/1006543019.db2.gz XXMMIHZVYNLCRG-LBPRGKRZSA-N 1 0 371.384 2.803 20 5 FFBDRO Cc1nn(C)c(Nc2ccc(N3CC[N@@H+]4CCC[C@H]4C3)cc2)c1[N+](=O)[O-] ZINC000882944280 1006570385 /nfs/dbraw/zinc/57/03/85/1006570385.db2.gz AUFATLHOEOTUHU-INIZCTEOSA-N 1 0 356.430 2.665 20 5 FFBDRO CC(C)NC(=O)c1ccc(N2CCC(C)([NH+]3CCC3)CC2)c([N+](=O)[O-])c1 ZINC000882965170 1006580439 /nfs/dbraw/zinc/58/04/39/1006580439.db2.gz YHRBIXDTXLEJPI-UHFFFAOYSA-N 1 0 360.458 2.798 20 5 FFBDRO COc1ccc(C[N@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1F ZINC000026713353 1006635154 /nfs/dbraw/zinc/63/51/54/1006635154.db2.gz YGUBGBKRMTTYDO-OAHLLOKOSA-N 1 0 364.373 2.614 20 5 FFBDRO C[C@H]([NH2+]Cc1ccc(Cn2cncn2)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815556824 1006682317 /nfs/dbraw/zinc/68/23/17/1006682317.db2.gz GAZPKKMIHPPHLV-ZDUSSCGKSA-N 1 0 352.398 2.668 20 5 FFBDRO CCc1cc(N2CCC[C@H]([NH2+][C@@H](C)c3ccc(N)c([N+](=O)[O-])c3)C2)ncn1 ZINC000815592978 1006702940 /nfs/dbraw/zinc/70/29/40/1006702940.db2.gz XKTBCYARXRZLAV-BBRMVZONSA-N 1 0 370.457 2.849 20 5 FFBDRO COc1ccccc1N1CC[C@@H]([NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1=O ZINC000815596585 1006704101 /nfs/dbraw/zinc/70/41/01/1006704101.db2.gz YCEBTHOZHJWYGK-SWLSCSKDSA-N 1 0 370.409 2.642 20 5 FFBDRO Cc1c([N+](=O)[O-])cc(C(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000855162456 1007141914 /nfs/dbraw/zinc/14/19/14/1007141914.db2.gz JZVAYZKYUXPPAA-LBPRGKRZSA-N 1 0 364.402 2.662 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000855165251 1007148483 /nfs/dbraw/zinc/14/84/83/1007148483.db2.gz SLRGBDJENJIFSB-NSHDSACASA-N 1 0 357.813 2.919 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)c1C ZINC001189997594 1007417681 /nfs/dbraw/zinc/41/76/81/1007417681.db2.gz QNGQVVGOHIHWHE-INIZCTEOSA-N 1 0 369.487 2.610 20 5 FFBDRO CC[NH+]1CCC(N2CCCN(c3ccc(C(C)=O)cc3[N+](=O)[O-])CC2)CC1 ZINC000817126087 1007436120 /nfs/dbraw/zinc/43/61/20/1007436120.db2.gz ZWYURQYZFWNSAL-UHFFFAOYSA-N 1 0 374.485 2.794 20 5 FFBDRO COc1ccc2ncc([N+](=O)[O-])c(N3CCO[C@@H](CCC[NH+](C)C)C3)c2c1 ZINC000884561337 1007479103 /nfs/dbraw/zinc/47/91/03/1007479103.db2.gz XIEDPDOQTNTCGC-HNNXBMFYSA-N 1 0 374.441 2.699 20 5 FFBDRO CCC1([NH+]2CCC2)CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)CC1 ZINC000884717115 1007517415 /nfs/dbraw/zinc/51/74/15/1007517415.db2.gz SEINNJXSGRFCBD-UHFFFAOYSA-N 1 0 372.469 2.942 20 5 FFBDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000855899892 1007631166 /nfs/dbraw/zinc/63/11/66/1007631166.db2.gz WZZRKUCAYHXHBG-ZDUSSCGKSA-N 1 0 366.437 2.650 20 5 FFBDRO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 ZINC001170874306 1007692028 /nfs/dbraw/zinc/69/20/28/1007692028.db2.gz FXSKKEIXRDCOEG-QZTJIDSGSA-N 1 0 355.394 2.825 20 5 FFBDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 ZINC000818564144 1007944567 /nfs/dbraw/zinc/94/45/67/1007944567.db2.gz WUOSMYOAMRHYTB-CABCVRRESA-N 1 0 360.458 2.640 20 5 FFBDRO O=C1CCCCN1c1ccc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000818973067 1008013898 /nfs/dbraw/zinc/01/38/98/1008013898.db2.gz MJINUUWAGQKFPH-IBGZPJMESA-N 1 0 369.421 2.935 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]Cc2nccn2CCc2ccccc2)cc1 ZINC000819143254 1008042091 /nfs/dbraw/zinc/04/20/91/1008042091.db2.gz YGWJQVXMEHFUPR-LJQANCHMSA-N 1 0 366.421 2.857 20 5 FFBDRO COc1ccc(OC)c(CCC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000819191750 1008062013 /nfs/dbraw/zinc/06/20/13/1008062013.db2.gz UHLYFXWLBNLJMN-SFHVURJKSA-N 1 0 360.410 2.868 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)CNc2ccc([NH+]3CCCCCC3)cc2)c1 ZINC000819394707 1008114962 /nfs/dbraw/zinc/11/49/62/1008114962.db2.gz CYYPPWSVIZMTMW-SFHVURJKSA-N 1 0 359.430 2.645 20 5 FFBDRO CN1CC[N@H+](C)Cc2ccc(NC[C@@H](O)c3cccc([N+](=O)[O-])c3)cc21 ZINC000819466063 1008160790 /nfs/dbraw/zinc/16/07/90/1008160790.db2.gz GZEHDRVGKZQBRG-LJQANCHMSA-N 1 0 356.426 2.622 20 5 FFBDRO C[N@H+](CCNC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)C1CCCCC1 ZINC001136421695 1008426423 /nfs/dbraw/zinc/42/64/23/1008426423.db2.gz ABQAAQVXVYVPPI-UHFFFAOYSA-N 1 0 371.441 2.979 20 5 FFBDRO Nc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001136452014 1008468759 /nfs/dbraw/zinc/46/87/59/1008468759.db2.gz MEOWAPRSGCOETE-MRXNPFEDSA-N 1 0 368.437 2.819 20 5 FFBDRO C[C@H]1C[C@H](NC(=O)c2ccc(N)c([N+](=O)[O-])c2)C[N@@H+]1Cc1ccccc1 ZINC000137441247 1008610101 /nfs/dbraw/zinc/61/01/01/1008610101.db2.gz ACLZBQHOAQMMQK-BBRMVZONSA-N 1 0 354.410 2.570 20 5 FFBDRO CC[C@@H](CC(F)(F)F)[NH2+]Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC001178430960 1008969702 /nfs/dbraw/zinc/96/97/02/1008969702.db2.gz NBFCTGYNAXNYJR-NSHDSACASA-N 1 0 364.320 2.967 20 5 FFBDRO COc1ccccc1CCNC(=O)C[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC001178576655 1009049778 /nfs/dbraw/zinc/04/97/78/1009049778.db2.gz VNTGMLDDBAYDME-UHFFFAOYSA-N 1 0 371.437 2.669 20 5 FFBDRO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C[C@](C)(O)c1ccccc1 ZINC000823598038 1009135454 /nfs/dbraw/zinc/13/54/54/1009135454.db2.gz DYIWRENPYOIKBB-IBGZPJMESA-N 1 0 357.410 2.763 20 5 FFBDRO CC[NH+](CC)CCOCCNC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000860789463 1009151531 /nfs/dbraw/zinc/15/15/31/1009151531.db2.gz DKPUPZJRPXIYDC-UHFFFAOYSA-N 1 0 359.426 2.836 20 5 FFBDRO C[C@H](NC(=O)Nc1ccc(N)c([N+](=O)[O-])c1)[C@H](c1ccccc1)[NH+](C)C ZINC000823961485 1009281772 /nfs/dbraw/zinc/28/17/72/1009281772.db2.gz FTHRGXAKNAXKCE-YVEFUNNKSA-N 1 0 357.414 2.990 20 5 FFBDRO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)CC[N@@H+]1CC(C)(C)O ZINC000861183408 1009295366 /nfs/dbraw/zinc/29/53/66/1009295366.db2.gz GZBHCZIRUONALY-CQSZACIVSA-N 1 0 371.437 2.665 20 5 FFBDRO CCCN(CC[NH+](CC)CC)C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000130250161 1009326302 /nfs/dbraw/zinc/32/63/02/1009326302.db2.gz ZHYLJUUTMGXVDN-UHFFFAOYSA-N 1 0 374.441 2.630 20 5 FFBDRO CC(C)(C)OC(=O)CCCCC[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC001180819636 1009869279 /nfs/dbraw/zinc/86/92/79/1009869279.db2.gz IZDBIGLGBRUGLA-UHFFFAOYSA-N 1 0 352.435 2.987 20 5 FFBDRO COc1ccc(CN2CC[C@@H]2C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000863576947 1010260928 /nfs/dbraw/zinc/26/09/28/1010260928.db2.gz ZEAPTSDRJUOWFD-UYAOXDASSA-N 1 0 371.437 2.501 20 5 FFBDRO CC[N@H+](C)[C@H]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 ZINC001181841688 1010278104 /nfs/dbraw/zinc/27/81/04/1010278104.db2.gz WQVUHQVRMPZCDE-JTQLQIEISA-N 1 0 374.210 2.663 20 5 FFBDRO CC(C)[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H](O)c1ccccc1 ZINC000794604652 1010437555 /nfs/dbraw/zinc/43/75/55/1010437555.db2.gz MPHUJTGABIMHET-ZWKOTPCHSA-N 1 0 357.410 2.542 20 5 FFBDRO C[NH+](C)[C@@H](CNC(=O)Cc1cccc(F)c1[N+](=O)[O-])c1cccc(F)c1 ZINC000864612975 1010527705 /nfs/dbraw/zinc/52/77/05/1010527705.db2.gz YMWTWXAWYYEITR-INIZCTEOSA-N 1 0 363.364 2.835 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@H](O)c2c(F)cccc2F)n1 ZINC000774252292 1010535969 /nfs/dbraw/zinc/53/59/69/1010535969.db2.gz LEAMNIUFGQRQFP-KFWWJZLASA-N 1 0 366.368 2.876 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]Cc2cn(-c3ccccc3)nn2)n1 ZINC000774259291 1010541674 /nfs/dbraw/zinc/54/16/74/1010541674.db2.gz HUTKKRMRADJXJS-IAGOWNOFSA-N 1 0 367.413 2.646 20 5 FFBDRO C[N@@H+]1CCn2nc(NCc3csc(-c4cccc([N+](=O)[O-])c4)n3)cc2C1 ZINC000865844209 1010872521 /nfs/dbraw/zinc/87/25/21/1010872521.db2.gz DRUJKMMOKACNPI-UHFFFAOYSA-N 1 0 370.438 2.972 20 5 FFBDRO COCCN(CC1CC[NH+](C)CC1)c1nccc2cc([N+](=O)[O-])ccc21 ZINC000865997076 1010903537 /nfs/dbraw/zinc/90/35/37/1010903537.db2.gz CIBANWILWXNHOY-UHFFFAOYSA-N 1 0 358.442 2.938 20 5 FFBDRO CN(CC[NH+]1CC2(C1)CCOCC2)c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000866257033 1010963956 /nfs/dbraw/zinc/96/39/56/1010963956.db2.gz VSTIIPIWOFIKDC-UHFFFAOYSA-N 1 0 371.384 2.745 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ncn(C[N@@H+]3CCC[C@@H](C[C@@H]4CCOC4)C3)n2)cc1 ZINC000773267715 1011005590 /nfs/dbraw/zinc/00/55/90/1011005590.db2.gz VFCMKUPLRCLRQM-HOTGVXAUSA-N 1 0 371.441 2.949 20 5 FFBDRO CCNC(=O)N1CCC([NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172898661 1012073874 /nfs/dbraw/zinc/07/38/74/1012073874.db2.gz IIFMCXWCEOFQEH-MRXNPFEDSA-N 1 0 360.458 2.626 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]CCn1nnc3ccccc31)CC2 ZINC001172902339 1012075766 /nfs/dbraw/zinc/07/57/66/1012075766.db2.gz XKKFLDNWBBWMOL-MRXNPFEDSA-N 1 0 351.410 2.877 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H](N(c1ncccn1)[C@H]1CCC[NH2+]C1)CC2 ZINC001172914276 1012097794 /nfs/dbraw/zinc/09/77/94/1012097794.db2.gz GFRGEHMZFVNQTJ-HKUYNNGSSA-N 1 0 367.453 2.891 20 5 FFBDRO COC(=O)c1cccnc1C[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172911221 1012123080 /nfs/dbraw/zinc/12/30/80/1012123080.db2.gz HSERHIIZAOCMTG-HNNXBMFYSA-N 1 0 355.394 2.814 20 5 FFBDRO CCOC(=O)[C@@H]1C[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCS1 ZINC001172911622 1012125511 /nfs/dbraw/zinc/12/55/11/1012125511.db2.gz DBFRKMKXRPOFFE-WBVHZDCISA-N 1 0 364.467 2.823 20 5 FFBDRO O=C1CCC[C@@H]([NH2+]C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)C1 ZINC001173008913 1012176155 /nfs/dbraw/zinc/17/61/55/1012176155.db2.gz HXMCWLSLTOMKTJ-GFCCVEGCSA-N 1 0 353.369 2.943 20 5 FFBDRO CCOC(=O)[C@@H](C)C[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173009118 1012176847 /nfs/dbraw/zinc/17/68/47/1012176847.db2.gz RIIJCKDNZWXSQI-NSHDSACASA-N 1 0 371.384 2.631 20 5 FFBDRO C[C@H]1CC[N@@H+](C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)CC[C@H]1O ZINC001173010583 1012179133 /nfs/dbraw/zinc/17/91/33/1012179133.db2.gz VLHVJDAPEPGJQD-YVEFUNNKSA-N 1 0 369.412 2.935 20 5 FFBDRO C[C@H]1CCC[N@H+](C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)[C@H]1CO ZINC001173009674 1012179685 /nfs/dbraw/zinc/17/96/85/1012179685.db2.gz HAAJSOCHXHKDPK-SJCJKPOMSA-N 1 0 369.412 2.935 20 5 FFBDRO COC[C@H]1CC[N@@H+](C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)C1 ZINC001173010039 1012179730 /nfs/dbraw/zinc/17/97/30/1012179730.db2.gz LJPQDPJMLKFMRY-LBPRGKRZSA-N 1 0 355.385 2.810 20 5 FFBDRO Cc1cnc(CC[NH3+])n1C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173011868 1012181485 /nfs/dbraw/zinc/18/14/85/1012181485.db2.gz MOZCGNNAEOGHPA-UHFFFAOYSA-N 1 0 365.384 2.721 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH2+]CCOC(F)(F)F)CC2)c(F)c1 ZINC001173011219 1012181563 /nfs/dbraw/zinc/18/15/63/1012181563.db2.gz VMNYWSLQJURBQJ-UHFFFAOYSA-N 1 0 369.290 2.968 20 5 FFBDRO CN(Cc1ccon1)C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173014783 1012186348 /nfs/dbraw/zinc/18/63/48/1012186348.db2.gz BOKRTFRISORQBU-UHFFFAOYSA-N 1 0 352.341 2.962 20 5 FFBDRO CCOC(=O)C[N@H+](CC)C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173015057 1012186387 /nfs/dbraw/zinc/18/63/87/1012186387.db2.gz FQSUBKJADNIVJI-UHFFFAOYSA-N 1 0 371.384 2.727 20 5 FFBDRO CC(C)[N@H+](CCCO)C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173017888 1012188549 /nfs/dbraw/zinc/18/85/49/1012188549.db2.gz MFMNGULPXIEUIO-UHFFFAOYSA-N 1 0 357.401 2.935 20 5 FFBDRO C[C@@H]1C[C@H](O)CC[N@@H+]1C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173018628 1012190035 /nfs/dbraw/zinc/19/00/35/1012190035.db2.gz XRZREGGGRIXDPZ-BXUZGUMPSA-N 1 0 355.385 2.687 20 5 FFBDRO CC1([NH+]2CCCC2)CCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000870257006 1012288125 /nfs/dbraw/zinc/28/81/25/1012288125.db2.gz XTGYUSCVTANGRS-UHFFFAOYSA-N 1 0 365.405 2.590 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]Cc2cn3cccnc3n2)c1F ZINC001173175633 1012318775 /nfs/dbraw/zinc/31/87/75/1012318775.db2.gz QEUVNSWNBPTIMT-LLVKDONJSA-N 1 0 359.361 2.506 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]Cc2ccc3nonc3c2)c1F ZINC001173176440 1012319221 /nfs/dbraw/zinc/31/92/21/1012319221.db2.gz HHGHMKZWLYGENM-JTQLQIEISA-N 1 0 360.345 3.000 20 5 FFBDRO COCCC1([NH3+])CCN([C@@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])CC1 ZINC001173178021 1012320860 /nfs/dbraw/zinc/32/08/60/1012320860.db2.gz FXFMNFZNMKKPEU-ZDUSSCGKSA-N 1 0 369.437 2.503 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH+]2CCC3(CC2)OCCO3)c1F ZINC001173180765 1012325291 /nfs/dbraw/zinc/32/52/91/1012325291.db2.gz MYCCQBVQKSWZLE-LBPRGKRZSA-N 1 0 354.378 2.512 20 5 FFBDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C1 ZINC000646997072 1012325570 /nfs/dbraw/zinc/32/55/70/1012325570.db2.gz ODJZYSZXFUQSRC-CHWSQXEVSA-N 1 0 371.387 2.959 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]Cc2ccc3c(c2)CC(=O)N3)c1F ZINC001173182045 1012326477 /nfs/dbraw/zinc/32/64/77/1012326477.db2.gz YUJRPTKNFPSFAV-NSHDSACASA-N 1 0 373.384 2.958 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C2CN(CC(F)(F)F)C2)c1F ZINC001173182562 1012327250 /nfs/dbraw/zinc/32/72/50/1012327250.db2.gz GWJCDISCCOEFHS-VIFPVBQESA-N 1 0 365.327 2.510 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CCn2nnc3ccccc32)c1F ZINC001173188097 1012328037 /nfs/dbraw/zinc/32/80/37/1012328037.db2.gz IIISXDUUJOPIDH-LBPRGKRZSA-N 1 0 373.388 2.708 20 5 FFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc(N2CCCNC2=O)nc1 ZINC001173218168 1012352690 /nfs/dbraw/zinc/35/26/90/1012352690.db2.gz BVOQBPPDPJZYLN-CQSZACIVSA-N 1 0 369.425 2.630 20 5 FFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)n1ccncc1=N[C@H]1CC[C@H]([NH3+])CC1 ZINC001173222604 1012355609 /nfs/dbraw/zinc/35/56/09/1012355609.db2.gz XLAWNJCAPOSLDK-DJIMGWMZSA-N 1 0 355.442 2.766 20 5 FFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cccc(N2CCOCC2=O)c1 ZINC001173224174 1012359337 /nfs/dbraw/zinc/35/93/37/1012359337.db2.gz MNPWDKKBKYGMCJ-OAHLLOKOSA-N 1 0 369.421 2.679 20 5 FFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1(CC2CC2)CCS(=O)(=O)CC1 ZINC001173228314 1012360775 /nfs/dbraw/zinc/36/07/75/1012360775.db2.gz JBJNVEWTADYRMF-CQSZACIVSA-N 1 0 366.483 2.863 20 5 FFBDRO O=C(Nc1cccc(CC[NH+]2CCCC2)c1)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001137586609 1032646731 /nfs/dbraw/zinc/64/67/31/1032646731.db2.gz WJFQMLINJMWPQX-UHFFFAOYSA-N 1 0 363.805 2.862 20 5 FFBDRO C[NH+](C)C1(C)CCC(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000871356311 1012880571 /nfs/dbraw/zinc/88/05/71/1012880571.db2.gz ASZSZQRBAYGJLU-UHFFFAOYSA-N 1 0 371.441 2.773 20 5 FFBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)CC[C@@H]21 ZINC000827331026 1017640363 /nfs/dbraw/zinc/64/03/63/1017640363.db2.gz VDEQQFDTMWLZEJ-CJNGLKHVSA-N 1 0 372.450 2.885 20 5 FFBDRO COc1cc(C(=O)N[C@@H](CC[NH+](C)C)c2cccnc2)cc([N+](=O)[O-])c1C ZINC000928829929 1019143554 /nfs/dbraw/zinc/14/35/54/1019143554.db2.gz GQUJWSWPROFXBO-INIZCTEOSA-N 1 0 372.425 2.730 20 5 FFBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@H](CC[NH+](C)C)c1cccnc1 ZINC000928832592 1019146516 /nfs/dbraw/zinc/14/65/16/1019146516.db2.gz UFARQBCJZJIVOT-OAHLLOKOSA-N 1 0 360.389 2.860 20 5 FFBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000801812340 1019409569 /nfs/dbraw/zinc/40/95/69/1019409569.db2.gz FVJSAIFTEFLVRJ-UHFFFAOYSA-N 1 0 372.400 2.842 20 5 FFBDRO CCOCCNC(=S)C(C(=O)c1ccc([N+](=O)[O-])cc1)[n+]1ccccc1 ZINC000725761934 1020253049 /nfs/dbraw/zinc/25/30/49/1020253049.db2.gz BEABSPHBURVNPC-UHFFFAOYSA-O 1 0 374.442 2.720 20 5 FFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CC[N@H+](Cc1ccc3ccccc3c1)C2 ZINC001072725589 1020294813 /nfs/dbraw/zinc/29/48/13/1020294813.db2.gz PTRYFFBYJKHVFU-RTBURBONSA-N 1 0 365.433 2.539 20 5 FFBDRO O=C(CC[N@@H+]1CCC[C@@H]1[C@H]1CCCOC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000828904069 1032898190 /nfs/dbraw/zinc/89/81/90/1032898190.db2.gz BFBSPVSJLMVKIF-SUMWQHHRSA-N 1 0 365.405 2.954 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](OC[C@H]2C[C@H]3CC[NH2+]C[C@@H]3O2)C(F)(F)F)cc1 ZINC001217916650 1032906247 /nfs/dbraw/zinc/90/62/47/1032906247.db2.gz JSZYJDUHVYINQO-REBRKWNGSA-N 1 0 360.332 2.982 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2C[C@@H]3COC[C@]3(c3ccccc3)C2)c1 ZINC000931905094 1020626457 /nfs/dbraw/zinc/62/64/57/1020626457.db2.gz BLSJBMJVDICDIJ-RLLQIKCJSA-N 1 0 354.406 2.528 20 5 FFBDRO C[N@@H+]1C[C@@H]2CN(C(=O)Nc3ccc([N+](=O)[O-])c4ccncc34)C[C@]2(C)C1 ZINC000931996685 1020660204 /nfs/dbraw/zinc/66/02/04/1020660204.db2.gz RLYCEMCJIKNMOK-XIKOKIGWSA-N 1 0 355.398 2.558 20 5 FFBDRO Cn1nc(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1C(F)(F)F ZINC000903341582 1020795411 /nfs/dbraw/zinc/79/54/11/1020795411.db2.gz PCJBQOVIQVBOTQ-RYUDHWBXSA-N 1 0 372.351 2.817 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(Br)c(O[C@@H]2C[NH2+]CCC[C@H]2F)c1 ZINC001217989301 1032938402 /nfs/dbraw/zinc/93/84/02/1032938402.db2.gz ZWFCKFSRWGILIW-LDYMZIIASA-N 1 0 351.147 2.965 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]Cc2ccc(-n3ccnc3)c(F)c2)c1 ZINC000749688272 1021020396 /nfs/dbraw/zinc/02/03/96/1021020396.db2.gz KMDAWVIBVKCKMY-GOSISDBHSA-N 1 0 356.357 2.743 20 5 FFBDRO C[C@@H]1CC[NH2+]C[C@H]1Oc1ccc([N+](=O)[O-])c(I)c1 ZINC001218043304 1032966704 /nfs/dbraw/zinc/96/67/04/1032966704.db2.gz JXDVQWWTPNOYQE-PRHODGIISA-N 1 0 362.167 2.576 20 5 FFBDRO COC(=O)c1cc(Br)c(O[C@@H]2C[NH2+]CC[C@H]2C)c([N+](=O)[O-])c1 ZINC001218047313 1032971335 /nfs/dbraw/zinc/97/13/35/1032971335.db2.gz LILGCXSXQWCREE-PRHODGIISA-N 1 0 373.203 2.521 20 5 FFBDRO COc1ccc(C2([NH2+]C[C@H](O)c3cccc([N+](=O)[O-])c3)CCOCC2)cc1 ZINC000750095014 1021337673 /nfs/dbraw/zinc/33/76/73/1021337673.db2.gz GYEUKVIZVOGEKF-IBGZPJMESA-N 1 0 372.421 2.932 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCCC[C@@H]([C@H]2CCOC2)C1 ZINC000934836650 1021421830 /nfs/dbraw/zinc/42/18/30/1021421830.db2.gz DVHAJHVNDJPWSD-CVEARBPZSA-N 1 0 361.442 2.980 20 5 FFBDRO CCc1c(Cl)cc([N+](=O)[O-])c(O[C@H]2C[C@H]3C[NH2+]CCN3C2)c1Cl ZINC001218071369 1032980925 /nfs/dbraw/zinc/98/09/25/1032980925.db2.gz KDRXSMFTJPEMRY-UWVGGRQHSA-N 1 0 360.241 2.889 20 5 FFBDRO CC[N@@H+]1CCCC[C@H]1CNc1c(C(=O)OC)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000750171472 1021466550 /nfs/dbraw/zinc/46/65/50/1021466550.db2.gz KTDXEWYUAQPKRX-NSHDSACASA-N 1 0 366.374 2.576 20 5 FFBDRO C[NH+]1CCC([C@H]2CCN(C(=O)CCc3cc(F)ccc3[N+](=O)[O-])C2)CC1 ZINC000935086212 1021560898 /nfs/dbraw/zinc/56/08/98/1021560898.db2.gz YTJSKFNBTZCQNH-INIZCTEOSA-N 1 0 363.433 2.857 20 5 FFBDRO COc1cccc(N2CCC([NH2+]C[C@H](O)c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC001118087738 1022060226 /nfs/dbraw/zinc/06/02/26/1022060226.db2.gz FDWDXLOEAPVLFK-FQEVSTJZSA-N 1 0 371.437 2.895 20 5 FFBDRO O=[N+]([O-])c1ccc(CN2CCC[C@@H](n3ccnn3)C2)c(Br)c1 ZINC001118103125 1022071157 /nfs/dbraw/zinc/07/11/57/1022071157.db2.gz PUDGIMJTQHZNQK-CYBMUJFWSA-N 1 0 366.219 2.786 20 5 FFBDRO C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(C[NH+]2CCCCCCC2)C1=O ZINC000042910181 1022200661 /nfs/dbraw/zinc/20/06/61/1022200661.db2.gz CFIXSAFMTIYMDF-SFHVURJKSA-N 1 0 360.414 2.585 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H](CO)CC1CCOCC1 ZINC001118488876 1022259585 /nfs/dbraw/zinc/25/95/85/1022259585.db2.gz APKJZDNVGURFMH-HIFRSBDPSA-N 1 0 352.431 2.679 20 5 FFBDRO COc1cc(CNCC[N@@H+]2CCC[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000779121725 1022838348 /nfs/dbraw/zinc/83/83/48/1022838348.db2.gz XNNUBSMJNZBRPK-LBPRGKRZSA-N 1 0 373.400 2.821 20 5 FFBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC001122210595 1023117377 /nfs/dbraw/zinc/11/73/77/1023117377.db2.gz QFWLFUVJOVXTTO-OAHLLOKOSA-N 1 0 374.485 2.903 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001122323145 1023189418 /nfs/dbraw/zinc/18/94/18/1023189418.db2.gz HRTSWADVYSCQKD-YVEFUNNKSA-N 1 0 367.833 2.760 20 5 FFBDRO CN(C)c1cc[nH+]c(NC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000753014126 1023252437 /nfs/dbraw/zinc/25/24/37/1023252437.db2.gz XPACKJLFOBXIGL-UHFFFAOYSA-N 1 0 359.342 2.535 20 5 FFBDRO [NH3+]C[C@@H]1CN(C(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C[C@H]1c1ccccc1 ZINC001122485694 1023299594 /nfs/dbraw/zinc/29/95/94/1023299594.db2.gz OAAGTDWGLBLLDL-GTAWCEEGSA-N 1 0 365.433 2.899 20 5 FFBDRO C[C@@H]1CC[C@@H](Oc2c(I)cccc2[N+](=O)[O-])C[NH2+]1 ZINC001218407815 1033141071 /nfs/dbraw/zinc/14/10/71/1033141071.db2.gz RMOBLAZGSGRBRN-RKDXNWHRSA-N 1 0 362.167 2.719 20 5 FFBDRO COc1c(=O)n2c3ccccc3c3ccnc(c32)c1O[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001218407286 1033141669 /nfs/dbraw/zinc/14/16/69/1033141669.db2.gz LSCPSBPWIBOBCD-OLZOCXBDSA-N 1 0 363.417 2.967 20 5 FFBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000755316227 1023590389 /nfs/dbraw/zinc/59/03/89/1023590389.db2.gz LVZWWNIUNYILJQ-LLLGYDHXSA-N 1 0 373.453 2.758 20 5 FFBDRO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)OC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000755676487 1023622396 /nfs/dbraw/zinc/62/23/96/1023622396.db2.gz AIBWXOLTQIDJCN-BXBOZWQASA-N 1 0 362.426 2.898 20 5 FFBDRO COc1cc(O[C@H]2CC[NH2+]C[C@H]2C)c2c(c1)oc1c(O)ccc(O)c1c2=O ZINC001218419090 1033148922 /nfs/dbraw/zinc/14/89/22/1033148922.db2.gz KHXXPAHRMVVQCI-YGRLFVJLSA-N 1 0 371.389 2.743 20 5 FFBDRO O=C1[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CCN1c1c(F)cccc1F ZINC000755984802 1023656207 /nfs/dbraw/zinc/65/62/07/1023656207.db2.gz KVJUAUPJTFERRW-INIZCTEOSA-N 1 0 361.348 2.811 20 5 FFBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2c3ccc(C)cc3[C@@H]3C[N@@H+](C)CC[C@H]32)n1 ZINC000756624641 1023736835 /nfs/dbraw/zinc/73/68/35/1023736835.db2.gz BMSIWOMFRRLRQT-GOEBONIOSA-N 1 0 369.425 2.568 20 5 FFBDRO O=[N+]([O-])c1cc(I)ccc1O[C@@H]1CC[C@@H]2C[NH2+]C[C@H]12 ZINC001218458385 1033165547 /nfs/dbraw/zinc/16/55/47/1033165547.db2.gz AQDBZOJLBLLRDB-UBHAPETDSA-N 1 0 374.178 2.576 20 5 FFBDRO O=[N+]([O-])c1ccc(I)cc1O[C@@H]1CC[C@@H]2C[NH2+]C[C@H]12 ZINC001218463268 1033168678 /nfs/dbraw/zinc/16/86/78/1033168678.db2.gz ZSYQARUEPQBXDJ-UBHAPETDSA-N 1 0 374.178 2.576 20 5 FFBDRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000779570434 1024190894 /nfs/dbraw/zinc/19/08/94/1024190894.db2.gz PHWFLTNCENAHTQ-SJLPKXTDSA-N 1 0 360.458 2.798 20 5 FFBDRO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccnc(-c4ccccc4)c3[N+](=O)[O-])[C@@H]2C1 ZINC001124004203 1024217666 /nfs/dbraw/zinc/21/76/66/1024217666.db2.gz UWAMOBIPLHOQMG-UAGQMJEPSA-N 1 0 366.421 2.727 20 5 FFBDRO CC[C@H](C)[NH+]1CCN(c2nnc([C@@H](C)[N+](=O)[O-])n2Cc2ccccc2)CC1 ZINC001122074069 1024319396 /nfs/dbraw/zinc/31/93/96/1024319396.db2.gz XWXOIICKMUSYAS-JKSUJKDBSA-N 1 0 372.473 2.585 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC000829541358 1033204695 /nfs/dbraw/zinc/20/46/95/1033204695.db2.gz CBMLHOUYMMWDEE-UHFFFAOYSA-N 1 0 357.414 2.724 20 5 FFBDRO O=C([C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC001122137352 1024374547 /nfs/dbraw/zinc/37/45/47/1024374547.db2.gz YNWXUIHJIHNACT-BHIYHBOVSA-N 1 0 357.454 2.937 20 5 FFBDRO CN(C(=O)c1ccc(N)c([N+](=O)[O-])c1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000080501481 1024636638 /nfs/dbraw/zinc/63/66/38/1024636638.db2.gz CEZDQMXPTCGUND-KRWDZBQOSA-N 1 0 368.437 2.914 20 5 FFBDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000195148781 1024949403 /nfs/dbraw/zinc/94/94/03/1024949403.db2.gz WILJONQAXFZODF-UHFFFAOYSA-N 1 0 356.426 2.947 20 5 FFBDRO O=[N+]([O-])c1ccc(C[NH2+]C2(CO)C3CC4CC(C3)CC2C4)c([N+](=O)[O-])c1 ZINC000839650401 1026774556 /nfs/dbraw/zinc/77/45/56/1026774556.db2.gz ROFNXPIKUGAPDV-UHFFFAOYSA-N 1 0 361.398 2.780 20 5 FFBDRO CO[C@@H]1C[C@H]([N@H+](C)Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C12CCC2 ZINC000840141762 1026981917 /nfs/dbraw/zinc/98/19/17/1026981917.db2.gz RXESDQZACNVNBU-JKSUJKDBSA-N 1 0 357.414 2.700 20 5 FFBDRO O=C(Cn1cc([N+](=O)[O-])cn1)OCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000840198434 1027006087 /nfs/dbraw/zinc/00/60/87/1027006087.db2.gz ODWMWOAMRSKCBH-UHFFFAOYSA-N 1 0 358.398 2.521 20 5 FFBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000247912579 1027278568 /nfs/dbraw/zinc/27/85/68/1027278568.db2.gz ALUAMKVJKPPKEB-IEBWSBKVSA-N 1 0 368.437 2.836 20 5 FFBDRO COc1nc(-n2cc(C[C@@H](C)[NH3+])c3ccc(C)cc32)nc(OC)c1[N+](=O)[O-] ZINC001160011549 1027560272 /nfs/dbraw/zinc/56/02/72/1027560272.db2.gz NVGLZXIYLQNNOQ-LLVKDONJSA-N 1 0 371.397 2.544 20 5 FFBDRO [NH3+]Cc1ccc2cn(-c3nc(C(F)(F)F)nc(Cl)c3[N+](=O)[O-])nc2c1 ZINC001160143855 1027609091 /nfs/dbraw/zinc/60/90/91/1027609091.db2.gz WNISQDMFLQAZDZ-UHFFFAOYSA-N 1 0 372.694 2.855 20 5 FFBDRO O=[N+]([O-])c1ccc(C(F)(F)N[C@@H]2CC[NH2+]C[C@H]2C(F)(F)F)nc1Cl ZINC001160739097 1027846535 /nfs/dbraw/zinc/84/65/35/1027846535.db2.gz VZGOBJDJRHEQSF-RNFRBKRXSA-N 1 0 374.697 2.823 20 5 FFBDRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC001153484383 1027903478 /nfs/dbraw/zinc/90/34/78/1027903478.db2.gz ZITZDZQPBGBCOL-PHIMTYICSA-N 1 0 370.247 2.846 20 5 FFBDRO CCC(CC)[NH+]1CCC(Nc2ncc(C(=O)OC)cc2[N+](=O)[O-])CC1 ZINC001161095105 1028008397 /nfs/dbraw/zinc/00/83/97/1028008397.db2.gz QMFGMEHMWZNOMV-UHFFFAOYSA-N 1 0 350.419 2.841 20 5 FFBDRO Cc1cc(NCCCN2CC[NH+](C)CC2)c([N+](=O)[O-])cc1Br ZINC001161711247 1028290471 /nfs/dbraw/zinc/29/04/71/1028290471.db2.gz YRHFIJHFEYMMRC-UHFFFAOYSA-N 1 0 371.279 2.715 20 5 FFBDRO O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001161885272 1028350352 /nfs/dbraw/zinc/35/03/52/1028350352.db2.gz LVLIAFLITJUOSW-AWEZNQCLSA-N 1 0 362.817 2.958 20 5 FFBDRO CC(=O)Nc1cc(N[C@@H]2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])cc1Br ZINC001162403171 1028532642 /nfs/dbraw/zinc/53/26/42/1028532642.db2.gz CGNPQYMWDUDNIY-VHSXEESVSA-N 1 0 371.235 2.998 20 5 FFBDRO C[C@@H]1C[C@@H](CNc2c3ccc(Br)cc3ncc2[N+](=O)[O-])C[NH2+]1 ZINC001162556462 1028579328 /nfs/dbraw/zinc/57/93/28/1028579328.db2.gz DTADONAOLCZDRB-NXEZZACHSA-N 1 0 365.231 2.737 20 5 FFBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1-n1c2ccccc2nc1[C@H](C)[NH3+] ZINC001155254419 1028645966 /nfs/dbraw/zinc/64/59/66/1028645966.db2.gz KGKAHTORWYNLHS-JTQLQIEISA-N 1 0 355.354 2.525 20 5 FFBDRO CC(C)[C@H]1CCC[N@H+](CN2C(=O)N[C@@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000780497741 1028715370 /nfs/dbraw/zinc/71/53/70/1028715370.db2.gz MMSDLJTWPBEKNA-LIRRHRJNSA-N 1 0 374.441 2.687 20 5 FFBDRO Cc1ccc2c(c1)[C@H](Nc1c[n+]([O-])ccc1[N+](=O)[O-])CC21CC[NH2+]CC1 ZINC001163033183 1028766778 /nfs/dbraw/zinc/76/67/78/1028766778.db2.gz BXKPJVKZSDVGJR-MRXNPFEDSA-N 1 0 354.410 2.715 20 5 FFBDRO O=[N+]([O-])c1ccccc1-c1ccc(NC[C@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001155597610 1028808247 /nfs/dbraw/zinc/80/82/47/1028808247.db2.gz LNVSHNBPCSJEMF-LIRRHRJNSA-N 1 0 369.425 2.622 20 5 FFBDRO O=[N+]([O-])c1cc(F)cc2ccc(NC[C@H]3CO[C@]4(C3)CCC[NH2+]C4)nc21 ZINC001163279542 1028870282 /nfs/dbraw/zinc/87/02/82/1028870282.db2.gz NBMLATDFHNLTNX-SGTLLEGYSA-N 1 0 360.389 2.853 20 5 FFBDRO O=[N+]([O-])c1cc(F)cc2ccc(NC[C@H]3CO[C@@]4(C3)CCC[NH2+]C4)nc21 ZINC001163279540 1028871035 /nfs/dbraw/zinc/87/10/35/1028871035.db2.gz NBMLATDFHNLTNX-KPZWWZAWSA-N 1 0 360.389 2.853 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ccccc2)nc1N[C@H]1CCO[C@@]2(CC[NH2+]C2)C1 ZINC001163308965 1028884823 /nfs/dbraw/zinc/88/48/23/1028884823.db2.gz FWWDVXSEGRVTDQ-KXBFYZLASA-N 1 0 354.410 2.980 20 5 FFBDRO Cc1cc(N[C@H]2CCO[C@@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])cc1Br ZINC001163329076 1028896646 /nfs/dbraw/zinc/89/66/46/1028896646.db2.gz WCCWQJANAOJPGX-NHYWBVRUSA-N 1 0 370.247 2.989 20 5 FFBDRO O=[N+]([O-])c1ccc2ncnc(N3CCC[N@H+](Cc4ccncc4)CC3)c2c1 ZINC001163827383 1029081553 /nfs/dbraw/zinc/08/15/53/1029081553.db2.gz RJBFGUVKGBYRSL-UHFFFAOYSA-N 1 0 364.409 2.645 20 5 FFBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N2CCC(C[NH3+])(c3ccccc3)CC2)n1 ZINC001164436016 1029280874 /nfs/dbraw/zinc/28/08/74/1029280874.db2.gz VNZJFSKXCGHWIK-UHFFFAOYSA-N 1 0 361.833 2.844 20 5 FFBDRO COCCC[NH+]1CCN(c2cc3ccc(Cl)nc3cc2[N+](=O)[O-])CC1 ZINC001165096553 1029386345 /nfs/dbraw/zinc/38/63/45/1029386345.db2.gz CIGNYALUGQYMCQ-UHFFFAOYSA-N 1 0 364.833 2.955 20 5 FFBDRO CC[N@H+]([C@H]1CCOC1)C1CCN(c2cc(Cl)ncc2[N+](=O)[O-])CC1 ZINC001165107013 1029391951 /nfs/dbraw/zinc/39/19/51/1029391951.db2.gz CXWQEYGZRICOHQ-ZDUSSCGKSA-N 1 0 354.838 2.723 20 5 FFBDRO CN(C1C[NH2+]C1)C(F)(F)c1cc(-c2ccccc2[N+](=O)[O-])nnc1Cl ZINC001165126899 1029408752 /nfs/dbraw/zinc/40/87/52/1029408752.db2.gz NOUDQQFOOFIXOO-UHFFFAOYSA-N 1 0 369.759 2.658 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])c(N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C)n1 ZINC001157166756 1029489439 /nfs/dbraw/zinc/48/94/39/1029489439.db2.gz XZCSWBUXQFPJAR-ZDUSSCGKSA-N 1 0 352.435 2.858 20 5 FFBDRO O=[N+]([O-])c1ccnc(N(c2ncnc3ccccc32)C2CC[NH2+]CC2)c1 ZINC001157315815 1029550181 /nfs/dbraw/zinc/55/01/81/1029550181.db2.gz GOEFONUUHSVDJQ-UHFFFAOYSA-N 1 0 350.382 2.823 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N(Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC001157425604 1029581974 /nfs/dbraw/zinc/58/19/74/1029581974.db2.gz BGFSYGHBTXRJNF-OAHLLOKOSA-N 1 0 370.409 2.535 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N(Cc2ccccc2)[C@@H]2CCC[NH2+]C2)c1 ZINC001157433244 1029584697 /nfs/dbraw/zinc/58/46/97/1029584697.db2.gz GFOLGHITAHAEFD-CQSZACIVSA-N 1 0 362.817 2.640 20 5 FFBDRO Cc1ccc2c(oc3c(CC(=O)N4CC(C)([NH3+])C4)cccc3c2=O)c1C ZINC001157644438 1029636355 /nfs/dbraw/zinc/63/63/55/1029636355.db2.gz OVJONWQUEWPCPK-UHFFFAOYSA-N 1 0 350.418 2.665 20 5 FFBDRO O=[N+]([O-])c1cnc(NCc2ccc(F)c(Cl)c2F)nc1C1C[NH2+]C1 ZINC001157711358 1029650139 /nfs/dbraw/zinc/65/01/39/1029650139.db2.gz SNOUDAOGRQMYJU-UHFFFAOYSA-N 1 0 355.732 2.615 20 5 FFBDRO Cc1cc(C(C)(C)C)cc(C)c1C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157775025 1029661357 /nfs/dbraw/zinc/66/13/57/1029661357.db2.gz IHBIZFGELVJOQO-SJLPKXTDSA-N 1 0 361.486 2.862 20 5 FFBDRO COc1ccc(CN(c2cc(N)c([N+](=O)[O-])cn2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001158158642 1029747023 /nfs/dbraw/zinc/74/70/23/1029747023.db2.gz RBFWDAOAROGOAA-SHTZXODSSA-N 1 0 371.441 2.857 20 5 FFBDRO CN(C)/C=C/c1cc(N(C)CC(=O)OCc2ccccc2)ncc1[N+](=O)[O-] ZINC001158197821 1029753837 /nfs/dbraw/zinc/75/38/37/1029753837.db2.gz CUTFVSAODUXGOR-MDZDMXLPSA-N 1 0 370.409 2.702 20 5 FFBDRO [NH3+][C@@H]1CCN(C2CCN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)CC2)C1 ZINC001158268114 1029780274 /nfs/dbraw/zinc/78/02/74/1029780274.db2.gz ZIHWRHMYTPXEAO-MRXNPFEDSA-N 1 0 367.453 2.659 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCO[C@@H](C[NH+]3CCCC3)C2)nc1-c1ccccc1 ZINC001158314295 1029794406 /nfs/dbraw/zinc/79/44/06/1029794406.db2.gz CMYMHEWSXDJFST-KRWDZBQOSA-N 1 0 368.437 2.958 20 5 FFBDRO C[NH+]1CCC(N(Cc2ccc(F)cc2)c2ncc([N+](=O)[O-])cc2N)CC1 ZINC001158449159 1029831581 /nfs/dbraw/zinc/83/15/81/1029831581.db2.gz UILDZNCZRDQDPI-UHFFFAOYSA-N 1 0 359.405 2.812 20 5 FFBDRO COc1cnc(N2CCC3(CC[NH2+]CC3)[C@@H]2C(F)(F)F)c([N+](=O)[O-])c1 ZINC001165266428 1029921324 /nfs/dbraw/zinc/92/13/24/1029921324.db2.gz NINIMEBJZIGIHU-CYBMUJFWSA-N 1 0 360.336 2.509 20 5 FFBDRO O=[N+]([O-])c1cc2nc(Cl)ccc2cc1N1CCO[C@@H]2C[NH2+]CC[C@@H]2C1 ZINC001165293149 1029933806 /nfs/dbraw/zinc/93/38/06/1029933806.db2.gz UTASQPQIYYKESD-MLGOLLRUSA-N 1 0 362.817 2.611 20 5 FFBDRO Cc1nc2c(n1-c1ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n1)CC[NH2+]CC2 ZINC001165356261 1029957115 /nfs/dbraw/zinc/95/71/15/1029957115.db2.gz MHBBFLMZNUFSLH-UHFFFAOYSA-N 1 0 367.384 2.978 20 5 FFBDRO Cc1c(F)cc([N+](=O)[O-])cc1N(c1cccc(C[NH3+])c1)S(C)(=O)=O ZINC001166503193 1030426762 /nfs/dbraw/zinc/42/67/62/1030426762.db2.gz MZEWULJHHPLAGW-UHFFFAOYSA-N 1 0 353.375 2.599 20 5 FFBDRO CCOc1cc(N(c2cccc(C[NH3+])c2)S(C)(=O)=O)ccc1[N+](=O)[O-] ZINC001166502888 1030426903 /nfs/dbraw/zinc/42/69/03/1030426903.db2.gz KEJZXFXDOQNKKL-UHFFFAOYSA-N 1 0 365.411 2.550 20 5 FFBDRO CC(=O)NCC(=O)Nc1cc2oc3cc(=[NH2+])ccc-3nc2c2ccccc12 ZINC001142806945 1030906552 /nfs/dbraw/zinc/90/65/52/1030906552.db2.gz YDELTEIFXSZRDB-UHFFFAOYSA-N 1 0 360.373 2.640 20 5 FFBDRO CC(C)Oc1cccc([C@H](O)C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000843081853 1031173976 /nfs/dbraw/zinc/17/39/76/1031173976.db2.gz QSBNMBVVQBNCKG-RBUKOAKNSA-N 1 0 360.410 2.739 20 5 FFBDRO C[C@H](O)[C@](C)(C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000843100968 1031182733 /nfs/dbraw/zinc/18/27/33/1031182733.db2.gz LEQVKOYUSZJGAG-BEVDRBHNSA-N 1 0 358.438 2.848 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(Cc2noc(C[C@H](C)[C@H]3CCC[NH2+]C3)n2)c1 ZINC000843222217 1031253261 /nfs/dbraw/zinc/25/32/61/1031253261.db2.gz DXERMQUMVFMPNH-STQMWFEESA-N 1 0 360.414 2.755 20 5 FFBDRO O=C(CCN1CC[NH2+]Cc2ccccc21)Nc1cc([N+](=O)[O-])ccc1F ZINC000843348858 1031341646 /nfs/dbraw/zinc/34/16/46/1031341646.db2.gz SOZHMMHCINMZCW-UHFFFAOYSA-N 1 0 358.373 2.672 20 5 FFBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000798523432 1031445244 /nfs/dbraw/zinc/44/52/44/1031445244.db2.gz JPSVODBMTOLQGB-LJQANCHMSA-N 1 0 356.426 2.575 20 5 FFBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)Cc3ccc(Cl)c([N+](=O)[O-])c3)CC[C@@H]21 ZINC001149656461 1031561795 /nfs/dbraw/zinc/56/17/95/1031561795.db2.gz WCOJVGJCEXQGHH-ZFWWWQNUSA-N 1 0 351.834 2.733 20 5 FFBDRO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1ccnc(OCC[NH+](C)C)c1 ZINC001535395514 1069783250 /nfs/dbraw/zinc/78/32/50/1069783250.db2.gz ATJQQTPIMXPJKB-UHFFFAOYSA-N 1 0 362.361 2.630 20 5 FFBDRO COc1cc(COC[C@H]2CCC3(CC[NH+](C)CC3)O2)cc([N+](=O)[O-])c1 ZINC001223393369 1033423269 /nfs/dbraw/zinc/42/32/69/1033423269.db2.gz UAFLOOHFNSDUIH-MRXNPFEDSA-N 1 0 350.415 2.763 20 5 FFBDRO C[C@@H](NC(=O)NC[C@@H](C)c1ccccc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC001223656042 1033538996 /nfs/dbraw/zinc/53/89/96/1033538996.db2.gz RLCVIWZHLLCWDX-ZIAGYGMSSA-N 1 0 350.463 2.974 20 5 FFBDRO COC(=O)c1cc(COC2CCN(c3cc[nH+]cc3)CC2)cc([N+](=O)[O-])c1 ZINC001223689984 1033549684 /nfs/dbraw/zinc/54/96/84/1033549684.db2.gz FQOGBTGFBMKNMG-UHFFFAOYSA-N 1 0 371.393 2.962 20 5 FFBDRO COc1ccc(NC(=O)N[C@H](CC[NH+](C)C)c2cccnc2)c([N+](=O)[O-])c1 ZINC001219572551 1033695841 /nfs/dbraw/zinc/69/58/41/1033695841.db2.gz SVHAUZCEBPESLH-OAHLLOKOSA-N 1 0 373.413 2.813 20 5 FFBDRO COc1ncnc(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)c1[N+](=O)[O-] ZINC000312976081 1033705415 /nfs/dbraw/zinc/70/54/15/1033705415.db2.gz KWCKSZVYKIQZBA-OWCLPIDISA-N 1 0 369.425 2.716 20 5 FFBDRO O=C(CC[N@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O)Nc1cc([N+](=O)[O-])ccc1F ZINC000831164320 1033974678 /nfs/dbraw/zinc/97/46/78/1033974678.db2.gz BTQJKKYMSBJTQX-KBRIMQKVSA-N 1 0 365.405 2.688 20 5 FFBDRO C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CC(NC(=O)OC(C)(C)C)C1 ZINC000831237300 1034004862 /nfs/dbraw/zinc/00/48/62/1034004862.db2.gz PRZXQNXLJDPFID-AVVWSFFYSA-N 1 0 365.430 2.616 20 5 FFBDRO N=C(NC(=O)[C@@H]([NH3+])Cc1c2ccccc2cc2ccccc21)c1ncc[nH]1 ZINC001220181579 1034026012 /nfs/dbraw/zinc/02/60/12/1034026012.db2.gz UWTJZUANBNXRCU-SFHVURJKSA-N 1 0 357.417 2.728 20 5 FFBDRO C[C@H](C[N+](C)(C)C)OC[C@H]1CC2(CO1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001225120030 1034136658 /nfs/dbraw/zinc/13/66/58/1034136658.db2.gz KOEWIVAAIYVYJR-IAGOWNOFSA-N 1 0 371.542 2.904 20 5 FFBDRO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1Oc1ccc([N+](=O)[O-])cc1C(N)=O ZINC001226165518 1034554473 /nfs/dbraw/zinc/55/44/73/1034554473.db2.gz LLWMESBQOZWIPA-KUHUBIRLSA-N 1 0 369.421 2.983 20 5 FFBDRO COC(=O)c1cc(Br)cc([N+](=O)[O-])c1O[C@@H]1CCC[N@H+](C)C1 ZINC001226358796 1034649205 /nfs/dbraw/zinc/64/92/05/1034649205.db2.gz VMOGCJZFTXSCQD-SNVBAGLBSA-N 1 0 373.203 2.617 20 5 FFBDRO Nc1cc(O[C@H]2CCN(c3ccc([N+](=O)[O-])cn3)C2)c2ccccc2[nH+]1 ZINC001226423572 1034678866 /nfs/dbraw/zinc/67/88/66/1034678866.db2.gz YVKOUDMYBSFCBO-ZDUSSCGKSA-N 1 0 351.366 2.778 20 5 FFBDRO CC(C)N(CC[NH+]1CCCCCC1)C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000832516944 1034836165 /nfs/dbraw/zinc/83/61/65/1034836165.db2.gz COFYDGVXLFYYNS-SFHVURJKSA-N 1 0 363.458 2.741 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(OC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)n1 ZINC001227062131 1034923025 /nfs/dbraw/zinc/92/30/25/1034923025.db2.gz GIRIOEIYYLFXQH-KRWDZBQOSA-N 1 0 357.410 2.968 20 5 FFBDRO CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CC[C@H]1[NH3+] ZINC000834642189 1035422141 /nfs/dbraw/zinc/42/21/41/1035422141.db2.gz QHLSCOGHQPQPAW-RHSMWYFYSA-N 1 0 360.458 2.785 20 5 FFBDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2Oc1ccc(Br)nc1[N+](=O)[O-] ZINC001227260265 1035490711 /nfs/dbraw/zinc/49/07/11/1035490711.db2.gz PVKOFFSGWBTMTE-DDFAGTSDSA-N 1 0 356.220 2.861 20 5 FFBDRO C[NH+](C)C1CCC(Oc2ccc3c(c2)oc2cc(=O)ccc-2[n+]3[O-])CC1 ZINC001227452914 1035560629 /nfs/dbraw/zinc/56/06/29/1035560629.db2.gz SIZCRAVWLUXTLD-UHFFFAOYSA-N 1 0 354.406 2.783 20 5 FFBDRO O=C(O[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000835396347 1035747000 /nfs/dbraw/zinc/74/70/00/1035747000.db2.gz MFGJSKNLEAEVKH-LSDHHAIUSA-N 1 0 356.382 2.564 20 5 FFBDRO Cc1cc2[nH]c(O[C@H]3CC[C@H]([NH+]4CCOCC4)CC3)nc2cc1[N+](=O)[O-] ZINC001228675336 1036248259 /nfs/dbraw/zinc/24/82/59/1036248259.db2.gz PNEUSFZCRDYJPL-HDJSIYSDSA-N 1 0 360.414 2.802 20 5 FFBDRO O=[N+]([O-])c1ccc(OC[C@@H]2CN(Cc3ccccc3)CCO2)nc1Cl ZINC001228933514 1036415161 /nfs/dbraw/zinc/41/51/61/1036415161.db2.gz GRVUJGGBMWOZDQ-AWEZNQCLSA-N 1 0 363.801 2.923 20 5 FFBDRO COC(=O)c1ccnc(NC2CC[NH+](CC(C)(C)C)CC2)c1[N+](=O)[O-] ZINC001161209045 1036661300 /nfs/dbraw/zinc/66/13/00/1036661300.db2.gz WEWWFOKQKWUKTB-UHFFFAOYSA-N 1 0 350.419 2.699 20 5 FFBDRO COCCC[NH+]1CCC(Oc2cc(Br)cnc2[N+](=O)[O-])CC1 ZINC001229564242 1036749586 /nfs/dbraw/zinc/74/95/86/1036749586.db2.gz SZFWUPQTFNHNBN-UHFFFAOYSA-N 1 0 374.235 2.632 20 5 FFBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(Cl)nc1I ZINC001229959047 1037002278 /nfs/dbraw/zinc/00/22/78/1037002278.db2.gz XQUZPGOTMRJHTB-MRVPVSSYSA-N 1 0 355.627 2.813 20 5 FFBDRO CCCC(=O)Nc1c(OC2CC[NH+](CCOC)CC2)cccc1[N+](=O)[O-] ZINC001231361800 1037548222 /nfs/dbraw/zinc/54/82/22/1037548222.db2.gz JMENKKAILJBFTM-UHFFFAOYSA-N 1 0 365.430 2.823 20 5 FFBDRO C[NH2+]C1(CNC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)CCCCC1 ZINC001207948224 1037880088 /nfs/dbraw/zinc/88/00/88/1037880088.db2.gz JCNGGYNSJOQPPF-UHFFFAOYSA-N 1 0 355.826 2.874 20 5 FFBDRO CC(C)N(CC[N@H+](C)CCc1ccc(Cl)cc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001278908230 1038353921 /nfs/dbraw/zinc/35/39/21/1038353921.db2.gz OBPYSLFILKAWJV-IAGOWNOFSA-N 1 0 367.877 2.717 20 5 FFBDRO Cc1cc(C[N@@H+](C)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C(C)C)c(C)s1 ZINC001278908665 1038359691 /nfs/dbraw/zinc/35/96/91/1038359691.db2.gz VIBCVOVNNGQUAB-HZPDHXFCSA-N 1 0 353.488 2.699 20 5 FFBDRO COc1cc(N2CCC([NH+]3CC4(C3)CCCCO4)CC2)ccc1[N+](=O)[O-] ZINC001256093768 1038379238 /nfs/dbraw/zinc/37/92/38/1038379238.db2.gz QNQNZYAYJHGKOZ-UHFFFAOYSA-N 1 0 361.442 2.827 20 5 FFBDRO CC[C@@]12C[C@@H](CO1)[N@@H+](C1CCN(c3ccc([N+](=O)[O-])c(OC)c3)CC1)C2 ZINC001256100300 1038384233 /nfs/dbraw/zinc/38/42/33/1038384233.db2.gz DOIVLTOBPZQUML-LPHOPBHVSA-N 1 0 361.442 2.826 20 5 FFBDRO CC[N@H+](CCC[NH+](C)C)C1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC001256101364 1038386763 /nfs/dbraw/zinc/38/67/63/1038386763.db2.gz GKBOMPROKMSGQU-UHFFFAOYSA-N 1 0 364.490 2.846 20 5 FFBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC([N@H+](C)Cc2ccccc2)C1 ZINC001258098418 1039172408 /nfs/dbraw/zinc/17/24/08/1039172408.db2.gz RZHHZMLJUHJMQH-UHFFFAOYSA-N 1 0 354.410 2.593 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1-c1nc2cc(N3CC[NH+](C)CC3)ccc2[nH]1 ZINC001251580216 1039188203 /nfs/dbraw/zinc/18/82/03/1039188203.db2.gz XQCYLFFFOCNDGV-UHFFFAOYSA-N 1 0 367.409 2.899 20 5 FFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N[C@@H](CCC[NH3+])C(=O)OC(C)(C)C ZINC001246241455 1039286916 /nfs/dbraw/zinc/28/69/16/1039286916.db2.gz MLYXSKKOWKXRIE-CJNGLKHVSA-N 1 0 351.447 2.565 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C[C@H]2Cc3ccccc3CN2)c1F ZINC001246281449 1039296318 /nfs/dbraw/zinc/29/63/18/1039296318.db2.gz RQODUABRDLROEM-CZUORRHYSA-N 1 0 373.428 2.978 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CCC(F)(F)[C@H](C[NH3+])C2)c1F ZINC001246560575 1039395793 /nfs/dbraw/zinc/39/57/93/1039395793.db2.gz VQQBHXBUPAKVSC-GHMZBOCLSA-N 1 0 361.364 2.589 20 5 FFBDRO COc1ncc(Nc2ccc(N3CC[NH+](C)CC3)cc2C)cc1[N+](=O)[O-] ZINC001210138386 1039402297 /nfs/dbraw/zinc/40/22/97/1039402297.db2.gz KMADFWVLCSGASF-UHFFFAOYSA-N 1 0 357.414 2.802 20 5 FFBDRO C[NH+]1CCN(c2ccccc2C(=O)N2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC001252008821 1039403264 /nfs/dbraw/zinc/40/32/64/1039403264.db2.gz BXLQQIOJLQUPEZ-UHFFFAOYSA-N 1 0 366.421 2.550 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CCCC[C@@]23CC[NH2+]C3)c1F ZINC001246645271 1039426666 /nfs/dbraw/zinc/42/66/66/1039426666.db2.gz UQYWHTWFBRYEGT-ACJLOTCBSA-N 1 0 351.422 2.892 20 5 FFBDRO COc1cc(F)cc(-c2noc(C[C@H]([NH3+])Cc3ccc([N+](=O)[O-])cc3)n2)c1 ZINC001248213836 1040175786 /nfs/dbraw/zinc/17/57/86/1040175786.db2.gz IHNORTKGKLXYFH-CQSZACIVSA-N 1 0 372.356 2.905 20 5 FFBDRO CN1C(=O)CC[C@H]2C[N@H+](C3CCN(c4ccc([N+](=O)[O-])cc4)CC3)CC[C@H]21 ZINC001254481308 1040747778 /nfs/dbraw/zinc/74/77/78/1040747778.db2.gz AQQZMDUUFJKLLF-HNAYVOBHSA-N 1 0 372.469 2.506 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccc(N2CCOCC2=O)c1 ZINC001254544341 1040790525 /nfs/dbraw/zinc/79/05/25/1040790525.db2.gz JARWVZHONMDZCY-OAHLLOKOSA-N 1 0 369.421 2.679 20 5 FFBDRO COc1cccc(N2CC[NH+]([C@@H](C)Cc3ccccc3[N+](=O)[O-])CC2)n1 ZINC001254568369 1040805160 /nfs/dbraw/zinc/80/51/60/1040805160.db2.gz ZMTSYGUILJCYDR-HNNXBMFYSA-N 1 0 356.426 2.752 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCC(NC(=O)c2cccnc2)CC1 ZINC001254567286 1040806562 /nfs/dbraw/zinc/80/65/62/1040806562.db2.gz AFHGBEJVTJDMTC-OAHLLOKOSA-N 1 0 368.437 2.815 20 5 FFBDRO COC(=O)C[C@@H]([NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1cccc(O)c1 ZINC001254580503 1040812006 /nfs/dbraw/zinc/81/20/06/1040812006.db2.gz FYUOXLLOTLYTMX-MAUKXSAKSA-N 1 0 356.378 2.662 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]Cc1ccccc1N1CCOCC1)C2 ZINC001254584136 1040817022 /nfs/dbraw/zinc/81/70/22/1040817022.db2.gz QABCQDOTNVRPIB-SFHVURJKSA-N 1 0 353.422 2.688 20 5 FFBDRO CN(C)C(=O)Cc1ccc(CC[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC001254590136 1040820411 /nfs/dbraw/zinc/82/04/11/1040820411.db2.gz VBJGXQBGSCUOTF-LJQANCHMSA-N 1 0 367.449 2.525 20 5 FFBDRO CC(C)C(=O)N1CC[C@@H]2C[N@@H+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC[C@H]21 ZINC001254596123 1040824810 /nfs/dbraw/zinc/82/48/10/1040824810.db2.gz OWCVHDZHTZBVLR-AYOQOUSVSA-N 1 0 357.454 2.641 20 5 FFBDRO CCOCc1cnc2n1CCN([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)[C@H]2C ZINC001254595655 1040824902 /nfs/dbraw/zinc/82/49/02/1040824902.db2.gz KLFKMXXMUXATJB-GUYCJALGSA-N 1 0 356.426 2.872 20 5 FFBDRO C[N@H+](C1CCOCC1)C1CCN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254603811 1040832204 /nfs/dbraw/zinc/83/22/04/1040832204.db2.gz QXPRMFBWBFWLLB-FQEVSTJZSA-N 1 0 359.470 2.637 20 5 FFBDRO COc1cc(N2CC[NH+](C)CC2)ccc1Nc1cc([N+](=O)[O-])cnc1C ZINC001249545452 1040858358 /nfs/dbraw/zinc/85/83/58/1040858358.db2.gz KQRMARHMQYGXLE-UHFFFAOYSA-N 1 0 357.414 2.802 20 5 FFBDRO COc1ccc(-c2nc3c(cccc3N3CC[NH+](C)CC3)[nH]2)c([N+](=O)[O-])c1 ZINC001250838269 1041395961 /nfs/dbraw/zinc/39/59/61/1041395961.db2.gz XMIDHHCNSCKYOU-UHFFFAOYSA-N 1 0 367.409 2.899 20 5 FFBDRO CC(C)(C)n1cncc1[C@@H]1CCCN(c2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC001262723014 1041816661 /nfs/dbraw/zinc/81/66/61/1041816661.db2.gz BSCSSCRRRADZRU-CYBMUJFWSA-N 1 0 369.429 2.973 20 5 FFBDRO O=C(CCc1cc(F)ccc1[N+](=O)[O-])Nc1ccc2c(c1)OCC[NH2+]C2 ZINC001263167405 1042145219 /nfs/dbraw/zinc/14/52/19/1042145219.db2.gz JOIZDZPQGFLOOT-UHFFFAOYSA-N 1 0 359.357 2.787 20 5 FFBDRO O=[N+]([O-])c1c(F)cc(-c2nc(-c3ccc4c(n3)CC[NH2+]C4)no2)cc1F ZINC001216913118 1042161604 /nfs/dbraw/zinc/16/16/04/1042161604.db2.gz WVAOGMNSXSLSLJ-UHFFFAOYSA-N 1 0 359.292 2.631 20 5 FFBDRO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001263225681 1042182368 /nfs/dbraw/zinc/18/23/68/1042182368.db2.gz UWEVEHVIBCYNMG-QGZVFWFLSA-N 1 0 351.834 2.925 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@@H](C)N2CCc3sccc3C2)n1 ZINC001264872600 1042827973 /nfs/dbraw/zinc/82/79/73/1042827973.db2.gz PLSWRFLGPIKFLU-GFCCVEGCSA-N 1 0 360.439 2.536 20 5 FFBDRO C[C@H](CNC(=O)N1CC[NH+](C2CCCC2)CC1)c1ccccc1[N+](=O)[O-] ZINC001313351265 1044325402 /nfs/dbraw/zinc/32/54/02/1044325402.db2.gz HKMVTTRKKYQEQQ-OAHLLOKOSA-N 1 0 360.458 2.968 20 5 FFBDRO CC(C)(C)c1ccc2c(c1)CC[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC001318777961 1044870435 /nfs/dbraw/zinc/87/04/35/1044870435.db2.gz CMSAZJKOEIWVEZ-SFHVURJKSA-N 1 0 358.442 2.508 20 5 FFBDRO CN(CC[NH2+]Cc1csc2c1cccc2Cl)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001317585682 1045113307 /nfs/dbraw/zinc/11/33/07/1045113307.db2.gz SSFVACROWNIJSS-TZMCWYRMSA-N 1 0 367.858 2.768 20 5 FFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](C(=O)NC2CC2)C1 ZINC001318293170 1045264379 /nfs/dbraw/zinc/26/43/79/1045264379.db2.gz DZXZZLVIXWYXJG-AWEZNQCLSA-N 1 0 361.442 2.873 20 5 FFBDRO COC[C@H](CCO)[NH2+]Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001319951798 1045311233 /nfs/dbraw/zinc/31/12/33/1045311233.db2.gz RKEOVUMHJDQMPG-LBPRGKRZSA-N 1 0 354.790 2.995 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1ccc2c[nH+]cn2c1C ZINC001320468868 1045413498 /nfs/dbraw/zinc/41/34/98/1045413498.db2.gz QAJVIQNHNKHTJX-UHFFFAOYSA-N 1 0 368.349 2.655 20 5 FFBDRO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC001323757740 1045712842 /nfs/dbraw/zinc/71/28/42/1045712842.db2.gz VJAHGXDTBHQRSS-GJZGRUSLSA-N 1 0 354.838 2.920 20 5 FFBDRO C[C@@H]1CCCN(C(=O)CC[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC001322121232 1045960362 /nfs/dbraw/zinc/96/03/62/1045960362.db2.gz PBJHROOALGGGAI-OAGGEKHMSA-N 1 0 363.462 2.513 20 5 FFBDRO Cc1cc(NC[C@H](O)c2cccc([N+](=O)[O-])c2)ccc1N1CC[NH+](C)CC1 ZINC001325856081 1046662957 /nfs/dbraw/zinc/66/29/57/1046662957.db2.gz XIVBZKZDYRYDDD-FQEVSTJZSA-N 1 0 370.453 2.801 20 5 FFBDRO CCC1([NH2+]Cc2ccc3c(c2)CCC3)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001327448484 1047899880 /nfs/dbraw/zinc/89/98/80/1047899880.db2.gz BTARQWYXDPKKMQ-RTBURBONSA-N 1 0 371.481 2.701 20 5 FFBDRO CC[N@@H+]1CCC[C@H](CN[C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC001327891848 1048085648 /nfs/dbraw/zinc/08/56/48/1048085648.db2.gz PFMQLQZQQWDLQM-CRAIPNDOSA-N 1 0 357.458 2.739 20 5 FFBDRO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[NH2+]CCC12CCC2 ZINC001332050110 1048227317 /nfs/dbraw/zinc/22/73/17/1048227317.db2.gz NJVRVEPPDNLXTE-UHFFFAOYSA-N 1 0 368.231 2.716 20 5 FFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H](CO)CC1CCOCC1 ZINC001329307009 1048662464 /nfs/dbraw/zinc/66/24/64/1048662464.db2.gz LYWKVGNIBZDALB-DZGCQCFKSA-N 1 0 354.422 2.680 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(NCc2cccc(CN3CC[NH+](C)CC3)c2)n1 ZINC001333424333 1048896721 /nfs/dbraw/zinc/89/67/21/1048896721.db2.gz RUMUNNCTENAEIW-UHFFFAOYSA-N 1 0 355.442 2.658 20 5 FFBDRO O=C(NCc1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC001333731153 1049085072 /nfs/dbraw/zinc/08/50/72/1049085072.db2.gz PADNJQLWUBHZFD-OLZOCXBDSA-N 1 0 368.231 2.504 20 5 FFBDRO O=C(NCc1ccc(Br)cc1[N+](=O)[O-])[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC001333731155 1049085879 /nfs/dbraw/zinc/08/58/79/1049085879.db2.gz PADNJQLWUBHZFD-QWHCGFSZSA-N 1 0 368.231 2.504 20 5 FFBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@@H]3CCC4(C[C@@H]3F)OCCO4)c2c1 ZINC001333763500 1049107265 /nfs/dbraw/zinc/10/72/65/1049107265.db2.gz FHHSMSWWUMQWPY-DOTOQJQBSA-N 1 0 363.389 2.842 20 5 FFBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@H]3CCC4(C[C@H]3F)OCCO4)c2c1 ZINC001333763503 1049107505 /nfs/dbraw/zinc/10/75/05/1049107505.db2.gz FHHSMSWWUMQWPY-WBVHZDCISA-N 1 0 363.389 2.842 20 5 FFBDRO COC(=O)c1cc(N2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)cc(C)c1[N+](=O)[O-] ZINC001333824756 1049133872 /nfs/dbraw/zinc/13/38/72/1049133872.db2.gz CGDJPCFNYBRWDW-ZNMIVQPWSA-N 1 0 361.442 2.856 20 5 FFBDRO C[C@H]1COCC[N@@H+]1C1CCN(c2c3cc(F)ccc3ncc2[N+](=O)[O-])CC1 ZINC001334272301 1049344058 /nfs/dbraw/zinc/34/40/58/1049344058.db2.gz WFGHKEDCPJHASN-ZDUSSCGKSA-N 1 0 374.416 2.972 20 5 FFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@@]3(O)CCC[C@H](C(F)(F)F)C3)C2)c1 ZINC001331075880 1049462975 /nfs/dbraw/zinc/46/29/75/1049462975.db2.gz YIRVAMILBCZIQX-DLOFLVKXSA-N 1 0 362.352 2.568 20 5 FFBDRO CC1(C)CCC[N@H+](CCNC(=O)CCc2cc(F)ccc2[N+](=O)[O-])C1 ZINC001297065400 1050117258 /nfs/dbraw/zinc/11/72/58/1050117258.db2.gz KCNMIZZFRKRTDP-UHFFFAOYSA-N 1 0 351.422 2.905 20 5 FFBDRO CC(C)(NC(=O)c1ccc2c(c1)OCC[NH2+]C2)c1ccc([N+](=O)[O-])cc1 ZINC001341503914 1050144011 /nfs/dbraw/zinc/14/40/11/1050144011.db2.gz VFSNAGYJMNGPLB-UHFFFAOYSA-N 1 0 355.394 2.742 20 5 FFBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CC[C@@H](CC[NH3+])C3)cc2[N+](=O)[O-])C1 ZINC001341872688 1050479349 /nfs/dbraw/zinc/47/93/49/1050479349.db2.gz NZMPGDDEHVMETE-OWCLPIDISA-N 1 0 374.485 2.888 20 5 FFBDRO O=C([C@@H]1CC[NH2+][C@H]([C@H]2CCCO2)C1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001340321379 1050720241 /nfs/dbraw/zinc/72/02/41/1050720241.db2.gz XGNJSBIFESTHSK-DKSSEZFCSA-N 1 0 373.453 2.633 20 5 FFBDRO [NH3+][C@@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C[C@H]1C(F)(F)F ZINC001340958983 1051290069 /nfs/dbraw/zinc/29/00/69/1051290069.db2.gz KVDPWVQGKVKBCY-NXEZZACHSA-N 1 0 359.329 2.771 20 5 FFBDRO CCN(C(=O)Cn1c2ccccc2c(=O)c2ccccc21)C1CC[NH2+]CC1 ZINC001342854444 1051462958 /nfs/dbraw/zinc/46/29/58/1051462958.db2.gz VIQDPSMRDKEXTB-UHFFFAOYSA-N 1 0 363.461 2.755 20 5 FFBDRO [NH3+]CC[C@H]1Cc2ccccc2N(C(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC001342871743 1051479800 /nfs/dbraw/zinc/47/98/00/1051479800.db2.gz DVNAYSRTQCLFIF-AWEZNQCLSA-N 1 0 355.394 2.528 20 5 FFBDRO CC(C)Cn1c(-c2ccc([N+](=O)[O-])o2)nnc1N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC001342989088 1051604952 /nfs/dbraw/zinc/60/49/52/1051604952.db2.gz VPVVEIQODFYXKR-KBPBESRZSA-N 1 0 374.445 2.633 20 5 FFBDRO O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC001341338319 1051694326 /nfs/dbraw/zinc/69/43/26/1051694326.db2.gz DTUCTKCWLQUCSS-IBGZPJMESA-N 1 0 358.442 2.553 20 5 FFBDRO [NH3+][C@@H]1CN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC001343485789 1052260894 /nfs/dbraw/zinc/26/08/94/1052260894.db2.gz IHGCIDUAFWDCCC-DLBZAZTESA-N 1 0 357.385 2.620 20 5 FFBDRO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1Cc1c(F)cccc1[N+](=O)[O-] ZINC001307937317 1052368161 /nfs/dbraw/zinc/36/81/61/1052368161.db2.gz ARLSNZPNWVSLBD-CQSZACIVSA-N 1 0 351.422 2.809 20 5 FFBDRO COc1cc(C[NH2+]C[C@H](O)Cc2cccc(Cl)c2)c([N+](=O)[O-])cc1O ZINC001308510849 1052463303 /nfs/dbraw/zinc/46/33/03/1052463303.db2.gz YJLZIQQEKZBQMG-CQSZACIVSA-N 1 0 366.801 2.656 20 5 FFBDRO O=C(N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1cc(F)ccc1[N+](=O)[O-] ZINC001345559296 1052510092 /nfs/dbraw/zinc/51/00/92/1052510092.db2.gz IPGSWWCZNUEMJO-HNAYVOBHSA-N 1 0 371.368 2.720 20 5 FFBDRO O=C(C[NH2+]CCc1ccc([N+](=O)[O-])cc1)Nc1cccc2cccnc21 ZINC001308920718 1052519306 /nfs/dbraw/zinc/51/93/06/1052519306.db2.gz ATOOEYRPCGANTJ-UHFFFAOYSA-N 1 0 350.378 2.914 20 5 FFBDRO CCCCO[C@H]1C[C@@H]([NH2+][C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC001308931131 1052521283 /nfs/dbraw/zinc/52/12/83/1052521283.db2.gz NZEIFZNOUGRXMU-ZJPYXAASSA-N 1 0 366.458 2.563 20 5 FFBDRO Cc1ccc(S(=O)(=O)NCC[C@@H](C)[NH+]2CCCCC2)c(C)c1[N+](=O)[O-] ZINC001309393673 1052611147 /nfs/dbraw/zinc/61/11/47/1052611147.db2.gz KRQVQHHDHXMUQP-CQSZACIVSA-N 1 0 369.487 2.754 20 5 FFBDRO COc1c(C(=O)Nc2c[nH+]ccc2-n2ccnc2C)cccc1[N+](=O)[O-] ZINC001344381629 1052744336 /nfs/dbraw/zinc/74/43/36/1052744336.db2.gz OPWDASXNGOLOQY-UHFFFAOYSA-N 1 0 353.338 2.745 20 5 FFBDRO C[C@H](CNC(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)c1ccccc1[N+](=O)[O-] ZINC001335681541 1053502350 /nfs/dbraw/zinc/50/23/50/1053502350.db2.gz UVKUGBJCFQIQDU-OWCLPIDISA-N 1 0 360.458 2.729 20 5 FFBDRO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001336175400 1053816532 /nfs/dbraw/zinc/81/65/32/1053816532.db2.gz KFBGCCPOWKXZEL-DJIMGWMZSA-N 1 0 360.458 2.729 20 5 FFBDRO C[C@H](Nc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001336570433 1054068129 /nfs/dbraw/zinc/06/81/29/1054068129.db2.gz TZBLCDHSJFGOKG-QWHCGFSZSA-N 1 0 374.441 2.991 20 5 FFBDRO Cn1ccnc1C[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC001336704071 1054151352 /nfs/dbraw/zinc/15/13/52/1054151352.db2.gz NTLLCVDYTYMQRJ-OALUTQOASA-N 1 0 366.421 2.935 20 5 FFBDRO Cc1cc(N[C@H](C)[C@@H]2C[N@H+](C)CCN2C)c(Br)cc1[N+](=O)[O-] ZINC001336725220 1054168475 /nfs/dbraw/zinc/16/84/75/1054168475.db2.gz CYGLARUHTFHICA-ABAIWWIYSA-N 1 0 371.279 2.712 20 5 FFBDRO CC[NH+](CC)CC[C@@H](C)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC001347662270 1054203149 /nfs/dbraw/zinc/20/31/49/1054203149.db2.gz UWRVDZNCFVJYKX-LLVKDONJSA-N 1 0 352.391 2.662 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)CN(C[C@@]1(O)CC[N@H+](Cc3ccccc3)C1)C2 ZINC001336769832 1054211241 /nfs/dbraw/zinc/21/12/41/1054211241.db2.gz DWQRLDUAHFDQJP-HXUWFJFHSA-N 1 0 353.422 2.547 20 5 FFBDRO O=C(NC[C@@H]1[NH2+]CCc2ccccc21)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001348563525 1054794143 /nfs/dbraw/zinc/79/41/43/1054794143.db2.gz VQPSICZFUYYZHJ-SFHVURJKSA-N 1 0 352.394 2.507 20 5 FFBDRO CC[NH+](CC)CC[C@@H](C)NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC001348856478 1054964936 /nfs/dbraw/zinc/96/49/36/1054964936.db2.gz RRCQLADCVKAPIF-CQSZACIVSA-N 1 0 359.430 2.631 20 5 FFBDRO COc1cc([C@H](C)[NH2+]C[C@@H](CO)CC2CCOCC2)cc([N+](=O)[O-])c1 ZINC001337821948 1055039648 /nfs/dbraw/zinc/03/96/48/1055039648.db2.gz OXODUWRDTBWVIE-ZFWWWQNUSA-N 1 0 352.431 2.679 20 5 FFBDRO Cc1c(-c2nnc(N3CCC([NH2+]C(C)C)CC3)n2C)cccc1[N+](=O)[O-] ZINC001338153343 1055275663 /nfs/dbraw/zinc/27/56/63/1055275663.db2.gz LMGWRLMKJMLJHD-UHFFFAOYSA-N 1 0 358.446 2.666 20 5 FFBDRO C[N@@H+]1C[C@@H]2CC[C@@H](Nc3ccc([N+](=O)[O-])c(C(=O)N4CCCC4)c3)[C@H]2C1 ZINC001338298999 1055399222 /nfs/dbraw/zinc/39/92/22/1055399222.db2.gz XVCCKHMVKCFHQA-RRQGHBQHSA-N 1 0 358.442 2.583 20 5 FFBDRO O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CC[NH2+]C2(CCCCC2)C1 ZINC000848942000 1055410393 /nfs/dbraw/zinc/41/03/93/1055410393.db2.gz REWQPTAHEVDQFD-UHFFFAOYSA-N 1 0 372.469 2.943 20 5 FFBDRO C[C@H](CC(F)(F)F)C(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001338336233 1055427427 /nfs/dbraw/zinc/42/74/27/1055427427.db2.gz SMOCBLPFDJKKOV-LLVKDONJSA-N 1 0 374.363 2.874 20 5 FFBDRO O=[N+]([O-])c1ccc(C(F)(F)F)cc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001356499996 1055538756 /nfs/dbraw/zinc/53/87/56/1055538756.db2.gz XQBKMAHWHMYPIR-LBPRGKRZSA-N 1 0 359.348 2.772 20 5 FFBDRO Cn1ccnc1C[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC001356532128 1055559385 /nfs/dbraw/zinc/55/93/85/1055559385.db2.gz IJTREQVZQIACIX-RTBURBONSA-N 1 0 366.421 2.935 20 5 FFBDRO [NH2+]=C(NCCc1ccccc1[N+](=O)[O-])N1CCN(c2ccc(F)cc2)CC1 ZINC000849088255 1055634761 /nfs/dbraw/zinc/63/47/61/1055634761.db2.gz BPLLTEUVXOEFLH-UHFFFAOYSA-N 1 0 371.416 2.623 20 5 FFBDRO O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@H]1CCCCC12CC[NH2+]CC2 ZINC001357162009 1055800594 /nfs/dbraw/zinc/80/05/94/1055800594.db2.gz KRVMLBPZVGGBFX-QGZVFWFLSA-N 1 0 360.458 2.683 20 5 FFBDRO Cn1c(-c2csc([N+](=O)[O-])c2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001339521050 1056544922 /nfs/dbraw/zinc/54/49/22/1056544922.db2.gz DLNBEOGRGFSKHU-CYBMUJFWSA-N 1 0 362.459 2.516 20 5 FFBDRO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC001544525713 1071655998 /nfs/dbraw/zinc/65/59/98/1071655998.db2.gz LEMZJSLAMAISGT-UHFFFAOYSA-N 1 0 371.412 2.871 20 5 FFBDRO CN1CCN(C(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])C(C)(C)C1 ZINC001544678594 1071677930 /nfs/dbraw/zinc/67/79/30/1071677930.db2.gz DRWTYYUKWFYGSO-UHFFFAOYSA-N 1 0 354.410 2.823 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)n1 ZINC001354475198 1059048304 /nfs/dbraw/zinc/04/83/04/1059048304.db2.gz UQVPYQMUQCHBFC-UHFFFAOYSA-N 1 0 368.437 2.735 20 5 FFBDRO O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001354571194 1059181966 /nfs/dbraw/zinc/18/19/66/1059181966.db2.gz UVBYSZVNDHVDPK-WDSOQIARSA-N 1 0 351.406 2.529 20 5 FFBDRO Nc1c(C(=O)NCc2ccc(Nc3cc[nH+]cc3)cc2)cccc1[N+](=O)[O-] ZINC001454211749 1059463088 /nfs/dbraw/zinc/46/30/88/1059463088.db2.gz SHNUSIAFSIVHKZ-UHFFFAOYSA-N 1 0 363.377 2.668 20 5 FFBDRO O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001454579702 1059572416 /nfs/dbraw/zinc/57/24/16/1059572416.db2.gz UFEJNVPIRAVJDO-HNNXBMFYSA-N 1 0 359.813 2.905 20 5 FFBDRO O=C(NC[C@@H]1CCC[NH2+]CC1)c1cc(F)cc([N+](=O)[O-])c1Br ZINC001515669723 1059741835 /nfs/dbraw/zinc/74/18/35/1059741835.db2.gz KZLBHWWIOSUJKQ-SECBINFHSA-N 1 0 374.210 2.616 20 5 FFBDRO O=C1[C@H](c2ccc([N+](=O)[O-])cc2)CCN1C[N@@H+]1CCC[C@]2(CCCOC2)C1 ZINC000848480974 1060114599 /nfs/dbraw/zinc/11/45/99/1060114599.db2.gz UALIWOPKIRWZHV-ICSRJNTNSA-N 1 0 373.453 2.761 20 5 FFBDRO O=C1[C@@H](c2ccc([N+](=O)[O-])cc2)CCN1CN1CCC([C@@H]2CCCO2)CC1 ZINC000848485529 1060131415 /nfs/dbraw/zinc/13/14/15/1060131415.db2.gz PHVVTIJODGEMOD-MOPGFXCFSA-N 1 0 373.453 2.759 20 5 FFBDRO C[N@@H+]1CCC[C@@]2(CCN(Cn3cc(-c4ccccc4[N+](=O)[O-])cn3)C2)C1 ZINC000848488155 1060136395 /nfs/dbraw/zinc/13/63/95/1060136395.db2.gz BRJPWRVMYDQSBV-LJQANCHMSA-N 1 0 355.442 2.834 20 5 FFBDRO C[NH+]1CCC2(CCN2C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)CC1 ZINC001563109394 1071955266 /nfs/dbraw/zinc/95/52/66/1071955266.db2.gz GVFHHZQTYIZORR-UHFFFAOYSA-N 1 0 353.810 2.532 20 5 FFBDRO COC(=O)Cc1ccccc1C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000848573633 1060298999 /nfs/dbraw/zinc/29/89/99/1060298999.db2.gz WYXUTTHGCVNUDZ-SJORKVTESA-N 1 0 372.425 2.780 20 5 FFBDRO CCCN(CC[NH+]1CCCC1)c1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC001458372511 1060577950 /nfs/dbraw/zinc/57/79/50/1060577950.db2.gz OCBXMEBKHTWSCQ-UHFFFAOYSA-N 1 0 358.442 2.759 20 5 FFBDRO COc1cc(N(C)CCC[N@H+](C)CCN(C)C)c(Cl)cc1[N+](=O)[O-] ZINC001458417003 1060585856 /nfs/dbraw/zinc/58/58/56/1060585856.db2.gz UGQACNXPRNCVRM-UHFFFAOYSA-N 1 0 358.870 2.577 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC[C@H]([NH+]3CCOCC3)CC2)c(OC(F)F)c1 ZINC000848795011 1060717733 /nfs/dbraw/zinc/71/77/33/1060717733.db2.gz CQPDQDGEVZIWFY-ZDUSSCGKSA-N 1 0 371.384 2.887 20 5 FFBDRO COC(=O)[C@@H](Cc1ccccc1)[C@H](C)[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC001460098113 1060896265 /nfs/dbraw/zinc/89/62/65/1060896265.db2.gz VBNCPEWYTIFBLQ-KXBFYZLASA-N 1 0 372.421 2.984 20 5 FFBDRO CCC[N@H+](CC)C[C@@H](C)NS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC001475348309 1061058618 /nfs/dbraw/zinc/05/86/18/1061058618.db2.gz AUOVALFVSMKCRY-CQSZACIVSA-N 1 0 357.476 2.610 20 5 FFBDRO C[C@@H]([NH2+]CC(=O)Nc1cccc(C(=O)N(C)C)c1)c1ccc([N+](=O)[O-])cc1 ZINC001460756945 1061088815 /nfs/dbraw/zinc/08/88/15/1061088815.db2.gz HYDKPYFOOHVTFK-CYBMUJFWSA-N 1 0 370.409 2.586 20 5 FFBDRO C[C@]1([NH2+]CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CCOc2ccccc21 ZINC001460823791 1061117359 /nfs/dbraw/zinc/11/73/59/1061117359.db2.gz MHTJTSSAZLVZBH-FQEVSTJZSA-N 1 0 367.405 2.771 20 5 FFBDRO CC(C)C[C@H]1C[N@H+](C)CCN1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001460828192 1061119405 /nfs/dbraw/zinc/11/94/05/1061119405.db2.gz GSKSYIYOKOBFNY-AWEZNQCLSA-N 1 0 368.865 2.849 20 5 FFBDRO C[C@@H]1[C@H](C)N(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C[N@@H+]1C ZINC001461267018 1061272834 /nfs/dbraw/zinc/27/28/34/1061272834.db2.gz FKZWNYNJEPOVJD-XQQFMLRXSA-N 1 0 369.849 2.957 20 5 FFBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2cc(Cl)cc(Br)c2)c1 ZINC001461313939 1061287046 /nfs/dbraw/zinc/28/70/46/1061287046.db2.gz PHFOSWGNJGNHSU-UHFFFAOYSA-N 1 0 359.611 2.997 20 5 FFBDRO COc1ccc(NC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)c([N+](=O)[O-])c1 ZINC001476904935 1061506188 /nfs/dbraw/zinc/50/61/88/1061506188.db2.gz ZMRBLKPEOMURPX-UHFFFAOYSA-N 1 0 374.401 2.711 20 5 FFBDRO COC(=O)c1c[nH]c(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])c1C1CC1 ZINC001462206807 1061538622 /nfs/dbraw/zinc/53/86/22/1061538622.db2.gz NDTKUTILIDFUMS-UHFFFAOYSA-N 1 0 358.398 2.552 20 5 FFBDRO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1C ZINC001463645085 1062196857 /nfs/dbraw/zinc/19/68/57/1062196857.db2.gz XWJURRAVUWTNMP-LLVKDONJSA-N 1 0 363.867 2.565 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCCC[C@@H]1[C@@H](C)C[NH+](C)C ZINC001464167001 1062459777 /nfs/dbraw/zinc/45/97/77/1062459777.db2.gz LMDQKDVBTKNFNX-LSDHHAIUSA-N 1 0 369.487 2.644 20 5 FFBDRO C[NH+](C)CCOc1cc(NC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)ccn1 ZINC001435739420 1062552302 /nfs/dbraw/zinc/55/23/02/1062552302.db2.gz KWNVTPUQEQRYGC-IRXDYDNUSA-N 1 0 370.409 2.672 20 5 FFBDRO CCC[NH+]1CCC(NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)CC1 ZINC001440638374 1063320983 /nfs/dbraw/zinc/32/09/83/1063320983.db2.gz VVOYYLLKORZFLN-UHFFFAOYSA-N 1 0 358.801 2.574 20 5 FFBDRO C[C@H](CNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N)[N@@H+]1CCCC[C@H]1C ZINC001441491697 1063446481 /nfs/dbraw/zinc/44/64/81/1063446481.db2.gz HACSXYXWKJUTBJ-NXEZZACHSA-N 1 0 372.828 2.962 20 5 FFBDRO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC001441813038 1063475067 /nfs/dbraw/zinc/47/50/67/1063475067.db2.gz GYQVZCRLUUAARG-UHFFFAOYSA-N 1 0 372.400 2.832 20 5 FFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC001466686268 1063521526 /nfs/dbraw/zinc/52/15/26/1063521526.db2.gz JLBJOYMFQWGPRR-UHFFFAOYSA-N 1 0 366.809 2.959 20 5 FFBDRO CC[C@@H](C)[N@H+](C)CCn1c(C)nnc1N(C)CCc1cccc([N+](=O)[O-])c1 ZINC001496114238 1063585548 /nfs/dbraw/zinc/58/55/48/1063585548.db2.gz AICOUIAREKEDSP-OAHLLOKOSA-N 1 0 374.489 2.904 20 5 FFBDRO CN(C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N)C(C)(C)C[NH+]1CCCC1 ZINC001469210814 1064109719 /nfs/dbraw/zinc/10/97/19/1064109719.db2.gz VMQZDEAMNKCDKC-UHFFFAOYSA-N 1 0 372.828 2.916 20 5 FFBDRO Cc1cccc(NCCNC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)n1 ZINC001472012095 1064890016 /nfs/dbraw/zinc/89/00/16/1064890016.db2.gz AJGADTIMFLWNGS-UHFFFAOYSA-N 1 0 367.768 2.515 20 5 FFBDRO CC(C)[N@@H+]1CC[C@H](CNc2c3cc([N+](=O)[O-])ccc3ncc2[N+](=O)[O-])C1 ZINC001472674883 1065125479 /nfs/dbraw/zinc/12/54/79/1065125479.db2.gz IOFMCJXPYYLAOA-GFCCVEGCSA-N 1 0 359.386 2.615 20 5 FFBDRO NC(=O)[C@H]1CCC[N@H+](CCCNc2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC001472677869 1065125707 /nfs/dbraw/zinc/12/57/07/1065125707.db2.gz JNLRZWJFTTVYGL-NSHDSACASA-N 1 0 374.363 2.613 20 5 FFBDRO C[C@H](CNc1c2cccc(Cl)c2ncc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC001472704647 1065130930 /nfs/dbraw/zinc/13/09/30/1065130930.db2.gz DFYJHHUXZQZXBI-GFCCVEGCSA-N 1 0 364.833 2.599 20 5 FFBDRO COc1ccc(NC(=O)CC[NH2+][C@@H](C)Cc2cccnc2)c([N+](=O)[O-])c1 ZINC001473875565 1065401167 /nfs/dbraw/zinc/40/11/67/1065401167.db2.gz YYSHFEOJTLYPHX-ZDUSSCGKSA-N 1 0 358.398 2.548 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(C[NH2+][C@@H](CO)[C@H]2CCOC2)o1 ZINC001474094918 1065455069 /nfs/dbraw/zinc/45/50/69/1065455069.db2.gz ZZUFOIFFZQMMCB-NHYWBVRUSA-N 1 0 366.801 2.995 20 5 FFBDRO C[N@@H+]1C[C@@H]2CC[C@@H](NCc3c(Br)cccc3[N+](=O)[O-])[C@H]2C1 ZINC001474303326 1065490053 /nfs/dbraw/zinc/49/00/53/1065490053.db2.gz XNAXUKMPBYDCHP-VHRBIJSZSA-N 1 0 354.248 2.787 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001475069532 1065693024 /nfs/dbraw/zinc/69/30/24/1065693024.db2.gz UZSCTYDXKLLIME-GUTXKFCHSA-N 1 0 369.487 2.548 20 5 FFBDRO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)CC[NH2+]1 ZINC001576789828 1078275147 /nfs/dbraw/zinc/27/51/47/1078275147.db2.gz HFKVVRHOMXVELC-AWEZNQCLSA-N 1 0 354.410 2.641 20 5 FFBDRO CC/C=C/Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](C[NH3+])C1 ZINC001577312717 1078336263 /nfs/dbraw/zinc/33/62/63/1078336263.db2.gz LFPQETDDJVQUNO-XGACYXMMSA-N 1 0 356.430 2.605 20 5 FFBDRO CN(Cc1ccccc1[N+](=O)[O-])c1nnc(C2CC[NH2+]CC2)n1CC1CC1 ZINC001578496999 1078482732 /nfs/dbraw/zinc/48/27/32/1078482732.db2.gz DZRCASMYPDKZPI-UHFFFAOYSA-N 1 0 370.457 2.700 20 5 FFBDRO C[NH2+]CCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](C)[C@@H](C)C1 ZINC001578694189 1078518474 /nfs/dbraw/zinc/51/84/74/1078518474.db2.gz LANNQMROZDCOKN-GJZGRUSLSA-N 1 0 372.473 2.945 20 5 FFBDRO C[NH+](C)[C@@H](CNc1cccc(-c2nn[nH]n2)c1[N+](=O)[O-])c1ccc(F)cc1 ZINC001578962302 1078554692 /nfs/dbraw/zinc/55/46/92/1078554692.db2.gz MYEACFDIKZTAOT-HNNXBMFYSA-N 1 0 371.376 2.629 20 5 FFBDRO COc1cc(C(=O)N2CC[NH2+]C[C@H]2c2ccccc2)c([N+](=O)[O-])cc1F ZINC001579141485 1078575132 /nfs/dbraw/zinc/57/51/32/1078575132.db2.gz QGTJSDPOXHQDHG-INIZCTEOSA-N 1 0 359.357 2.529 20 5 FFBDRO COc1ccc(CNC(=O)N2CCC[C@@H](C)[C@H]2CCC[NH3+])cc1[N+](=O)[O-] ZINC001579215939 1078591861 /nfs/dbraw/zinc/59/18/61/1078591861.db2.gz RSGSBCDVBKEDDL-UKRRQHHQSA-N 1 0 364.446 2.652 20 5 FFBDRO [NH3+][C@@H](C(=O)NCc1ccccc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001580114749 1078751744 /nfs/dbraw/zinc/75/17/44/1078751744.db2.gz AKZWTAGSGNEBQX-CQSZACIVSA-N 1 0 353.300 2.930 20 5 FFBDRO [NH3+][C@@H]1C[C@@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C12CCC2 ZINC001580163086 1078758728 /nfs/dbraw/zinc/75/87/28/1078758728.db2.gz KDEYETUCTRGWTK-VXGBXAGGSA-N 1 0 356.329 2.588 20 5 FFBDRO [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)cc1 ZINC001580401822 1078797991 /nfs/dbraw/zinc/79/79/91/1078797991.db2.gz CIDAAJYDELOTNX-JKSUJKDBSA-N 1 0 363.377 2.847 20 5 FFBDRO O=[N+]([O-])c1cccc(CN2CCC[C@H]3C[NH2+]CC[C@@H]32)c1Br ZINC001580875569 1078882523 /nfs/dbraw/zinc/88/25/23/1078882523.db2.gz NIDITGFIDFMTMF-AAEUAGOBSA-N 1 0 354.248 2.931 20 5 FFBDRO Nc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001585061123 1079420562 /nfs/dbraw/zinc/42/05/62/1079420562.db2.gz NMQHAZKFWTYFPY-UHFFFAOYSA-N 1 0 360.458 2.905 20 5 FFBDRO C[NH+](C)[C@H]1C[C@@H](NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C12CCC2 ZINC001557698919 1075875810 /nfs/dbraw/zinc/87/58/10/1075875810.db2.gz YJVVVTWHOUDPPP-SJORKVTESA-N 1 0 359.426 2.547 20 5 FFBDRO C[NH+]1CCC(n2cc(NC(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)cn2)CC1 ZINC001557935973 1075914445 /nfs/dbraw/zinc/91/44/45/1075914445.db2.gz SAWRQHYDFIRLAZ-UHFFFAOYSA-N 1 0 368.397 2.792 20 5 FFBDRO CNc1c(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C)cc3)C2)cccc1[N+](=O)[O-] ZINC001558020633 1075930023 /nfs/dbraw/zinc/93/00/23/1075930023.db2.gz QOYRUQZJIMQHIX-MRXNPFEDSA-N 1 0 368.437 2.949 20 5 FFBDRO CS[C@H]1CN(c2c3cc(F)ccc3ncc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC001559157543 1076130733 /nfs/dbraw/zinc/13/07/33/1076130733.db2.gz OFZCERGIZDBRNX-GJZGRUSLSA-N 1 0 350.419 2.764 20 5 FFBDRO C[C@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1cc2cnccc2o1 ZINC001560094123 1076225337 /nfs/dbraw/zinc/22/53/37/1076225337.db2.gz MWAFKMWIDFOENF-LBPRGKRZSA-N 1 0 366.377 2.976 20 5 FFBDRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC001560183690 1076242940 /nfs/dbraw/zinc/24/29/40/1076242940.db2.gz VSZQKARATCFTNJ-IBGZPJMESA-N 1 0 360.410 2.695 20 5 FFBDRO CCN(C(=O)OC(C)(C)C)C1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC001560244313 1076255769 /nfs/dbraw/zinc/25/57/69/1076255769.db2.gz KTNSOTBGUHQMKQ-UHFFFAOYSA-N 1 0 367.450 2.513 20 5 FFBDRO COC(=O)c1ccc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1C ZINC001560641542 1076287176 /nfs/dbraw/zinc/28/71/76/1076287176.db2.gz HMGBIKPDKDEHEI-OAHLLOKOSA-N 1 0 370.409 2.771 20 5 FFBDRO Cc1cc(N2CCC([NH2+]Cc3nc4cc([N+](=O)[O-])ccc4o3)CC2)n[nH]1 ZINC001560768577 1076298476 /nfs/dbraw/zinc/29/84/76/1076298476.db2.gz DVDXQZTVJJHRRH-UHFFFAOYSA-N 1 0 356.386 2.526 20 5 FFBDRO C[N@@H+]1C[C@@H]2CCCN(Cc3cc(Br)c([N+](=O)[O-])s3)[C@@H]2C1 ZINC001560898039 1076307519 /nfs/dbraw/zinc/30/75/19/1076307519.db2.gz WONDOZVUVLYXJM-JOYOIKCWSA-N 1 0 360.277 2.945 20 5 FFBDRO C[C@@H](C[NH2+]C1CCC2(CS(=O)(=O)C2)CC1)c1ccccc1[N+](=O)[O-] ZINC001561027040 1076321802 /nfs/dbraw/zinc/32/18/02/1076321802.db2.gz SYBLIAOLTOSUGX-ZDUSSCGKSA-N 1 0 352.456 2.645 20 5 FFBDRO Nc1c(Cl)cc(C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)cc1[N+](=O)[O-] ZINC001566156247 1076926277 /nfs/dbraw/zinc/92/62/77/1076926277.db2.gz PBIWKWBJJOVVTJ-CYBMUJFWSA-N 1 0 366.849 2.825 20 5 FFBDRO C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2N)C[N@@H+]1Cc1ccccc1 ZINC001566338703 1076948095 /nfs/dbraw/zinc/94/80/95/1076948095.db2.gz QCLCYRVGQOFNFO-ZFWWWQNUSA-N 1 0 354.410 2.570 20 5 FFBDRO C[N@@H+]1CCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C[C@@H]1C(C)(C)C ZINC001570914706 1077242715 /nfs/dbraw/zinc/24/27/15/1077242715.db2.gz JWABNSWNUJGRIJ-QGZVFWFLSA-N 1 0 358.442 2.738 20 5 FFBDRO C[NH+](C)[C@H]1C[C@@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C12CCC2 ZINC001585891970 1079510023 /nfs/dbraw/zinc/51/00/23/1079510023.db2.gz RRHCARBYKSJLJA-SJORKVTESA-N 1 0 358.442 2.772 20 5 FFBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC001586784933 1079685883 /nfs/dbraw/zinc/68/58/83/1079685883.db2.gz ZZXQFXVQPFJBNC-INIZCTEOSA-N 1 0 351.422 2.903 20 5 FFBDRO Cc1cc(F)cc(C(=O)N2CC[NH2+][C@@H](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC001586883246 1079700395 /nfs/dbraw/zinc/70/03/95/1079700395.db2.gz IUZXTDUWMBGKSF-INIZCTEOSA-N 1 0 357.385 2.699 20 5 FFBDRO CC(C)[C@H](CC(F)(F)F)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001589440349 1080534041 /nfs/dbraw/zinc/53/40/41/1080534041.db2.gz VMEHFFUOQXKEKI-NSHDSACASA-N 1 0 358.324 2.842 20 5 FFBDRO CC(C)[NH+]1CCC(CCNc2ccc(-c3nn[nH]n3)c([N+](=O)[O-])c2)CC1 ZINC001589708520 1080682236 /nfs/dbraw/zinc/68/22/36/1080682236.db2.gz MWUVVLSTLSMRML-UHFFFAOYSA-N 1 0 359.434 2.697 20 5 FFBDRO C[C@@H](Nc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001589978705 1080918049 /nfs/dbraw/zinc/91/80/49/1080918049.db2.gz YMVNGWYYCRFTNL-CHWSQXEVSA-N 1 0 371.445 2.840 20 5 FFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)C[C@@H](O)c1cccc(-c2nn[nH]n2)c1 ZINC001590050742 1080979287 /nfs/dbraw/zinc/97/92/87/1080979287.db2.gz OMVDNBFKSNMSAH-YVEFUNNKSA-N 1 0 368.397 2.501 20 5 FFBDRO O=C(CN1CC[NH+](C2CCCC2)CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000027118258 210161570 /nfs/dbraw/zinc/16/15/70/210161570.db2.gz AKUBHGSXTWIAOQ-UHFFFAOYSA-N 1 0 366.849 2.747 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCc2cc(C[NH3+])ccc21 ZINC000370879712 512111480 /nfs/dbraw/zinc/11/14/80/512111480.db2.gz XLMKGKVWELVYBM-UHFFFAOYSA-N 1 0 361.423 2.503 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCn2cccc2[C@@H]1C ZINC000026264498 249340961 /nfs/dbraw/zinc/34/09/61/249340961.db2.gz AFIXYEBPUQYILP-ZDUSSCGKSA-N 1 0 358.398 2.810 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)c1 ZINC000285701781 257000479 /nfs/dbraw/zinc/00/04/79/257000479.db2.gz HNJZZAOGCTUMRO-CVEARBPZSA-N 1 0 361.442 2.757 20 5 FFBDRO COCCOC1CC[NH+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000093339321 250029048 /nfs/dbraw/zinc/02/90/48/250029048.db2.gz VEUZUGGWPOYSNV-UHFFFAOYSA-N 1 0 374.441 2.623 20 5 FFBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C1 ZINC000106363574 250265703 /nfs/dbraw/zinc/26/57/03/250265703.db2.gz CNAIVDUIEWZCCU-MRXNPFEDSA-N 1 0 360.458 2.751 20 5 FFBDRO C[NH+]1CCC(CCNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CC1 ZINC000120220126 250562752 /nfs/dbraw/zinc/56/27/52/250562752.db2.gz KOICBQVYIRLBSN-UHFFFAOYSA-N 1 0 360.458 2.657 20 5 FFBDRO COc1cc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)ccc1[N+](=O)[O-] ZINC000153326295 251125245 /nfs/dbraw/zinc/12/52/45/251125245.db2.gz UGCUCPJIVDHMLR-GDBMZVCRSA-N 1 0 359.426 2.692 20 5 FFBDRO C[NH+]1CCC([C@H]2CCN(C(=O)NCCc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000270059652 251454702 /nfs/dbraw/zinc/45/47/02/251454702.db2.gz GGPBITNHQJIKAR-KRWDZBQOSA-N 1 0 360.458 2.511 20 5 FFBDRO C[NH+]1CCC([C@@H]2CCN(C(=O)NCCc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000270072718 251458157 /nfs/dbraw/zinc/45/81/57/251458157.db2.gz HDMXSXQSWMTFGM-QGZVFWFLSA-N 1 0 360.458 2.511 20 5 FFBDRO C[N@@H+]1CCC[C@@H]2CN(c3c(Br)cncc3[N+](=O)[O-])CC[C@H]21 ZINC000270936395 251665420 /nfs/dbraw/zinc/66/54/20/251665420.db2.gz IVNNYMPJXLZVTE-ZYHUDNBSSA-N 1 0 355.236 2.673 20 5 FFBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)CCOc3ccc(Cl)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000272671401 252098137 /nfs/dbraw/zinc/09/81/37/252098137.db2.gz TXMRMUWAYZAQBB-SWLSCSKDSA-N 1 0 367.833 2.570 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H]2CCc3cc(F)ccc32)cc1 ZINC000272913160 252163634 /nfs/dbraw/zinc/16/36/34/252163634.db2.gz HACQTULOGKPWOU-KRWDZBQOSA-N 1 0 364.398 2.785 20 5 FFBDRO C[C@]1([NH2+]CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CCO[C@@H]1C1CC1 ZINC000273048998 252200877 /nfs/dbraw/zinc/20/08/77/252200877.db2.gz JYRZWDNLGPGCPA-CVEARBPZSA-N 1 0 353.806 2.734 20 5 FFBDRO C[C@H]([NH2+][C@H]1CCCN(Cc2ccccn2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000273178066 252240524 /nfs/dbraw/zinc/24/05/24/252240524.db2.gz DLWNUCZZWYQAFG-KSSFIOAISA-N 1 0 354.410 2.832 20 5 FFBDRO COc1cccc(C2([NH2+]C[C@H](O)COc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000273158048 252234213 /nfs/dbraw/zinc/23/42/13/252234213.db2.gz MZOJBJCDTWOYPX-HNNXBMFYSA-N 1 0 358.394 2.622 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(OC[C@H]2CCCO2)CC1 ZINC000366650287 512122911 /nfs/dbraw/zinc/12/29/11/512122911.db2.gz VCLMLVJCKSEWCV-QGZVFWFLSA-N 1 0 350.415 2.763 20 5 FFBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCSC3(CCOCC3)C2)c2c(c1)COCO2 ZINC000274518498 255889337 /nfs/dbraw/zinc/88/93/37/255889337.db2.gz XKYNYOVSZNZEIM-UHFFFAOYSA-N 1 0 366.439 2.559 20 5 FFBDRO C[C@@]1(CCCO)CCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000275555264 256023114 /nfs/dbraw/zinc/02/31/14/256023114.db2.gz CVEFBSSAPSIADT-KRWDZBQOSA-N 1 0 353.394 2.690 20 5 FFBDRO CC1(C)[C@H](C(F)(F)F)CC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000276321317 256089996 /nfs/dbraw/zinc/08/99/96/256089996.db2.gz YWDCUSAQWDWDJM-BXUZGUMPSA-N 1 0 362.348 2.997 20 5 FFBDRO COC(=O)c1cnc(N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c([N+](=O)[O-])c1 ZINC000276690037 256121888 /nfs/dbraw/zinc/12/18/88/256121888.db2.gz HBGCPSHNAVSIPV-CHWSQXEVSA-N 1 0 362.430 2.841 20 5 FFBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3Br)[C@@H]2C1 ZINC000277262025 256177509 /nfs/dbraw/zinc/17/75/09/256177509.db2.gz LMAHMWCHWYPUNE-ZWNOBZJWSA-N 1 0 368.231 2.524 20 5 FFBDRO C[NH+]1CCC(C)(CNC(=O)c2cccc([N+](=O)[O-])c2Br)CC1 ZINC000277086449 256159480 /nfs/dbraw/zinc/15/94/80/256159480.db2.gz AZYZKFDLUQDHTI-UHFFFAOYSA-N 1 0 370.247 2.819 20 5 FFBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)CC1 ZINC000277335605 256186386 /nfs/dbraw/zinc/18/63/86/256186386.db2.gz ATAFIRUTCKWFRU-RHSMWYFYSA-N 1 0 360.458 2.559 20 5 FFBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000277282060 256179971 /nfs/dbraw/zinc/17/99/71/256179971.db2.gz NJLUPTMEXWYBMW-CYBMUJFWSA-N 1 0 370.247 2.914 20 5 FFBDRO O=C(CC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)Nc1ccccc1[N+](=O)[O-] ZINC000278495751 256318630 /nfs/dbraw/zinc/31/86/30/256318630.db2.gz ABKISLWSYDHFNK-MORSLUCNSA-N 1 0 359.426 2.861 20 5 FFBDRO COc1cc(C[NH2+]CCC[C@H](C)O)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000278573968 256326798 /nfs/dbraw/zinc/32/67/98/256326798.db2.gz DWSYPPZMHFPBGT-JTQLQIEISA-N 1 0 366.336 2.795 20 5 FFBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])C1CC[NH+](C2CC2)CC1 ZINC000278704402 256340220 /nfs/dbraw/zinc/34/02/20/256340220.db2.gz GBUUUMMCZUAARD-UHFFFAOYSA-N 1 0 351.834 2.781 20 5 FFBDRO CC[N@H+](C)[C@@H](C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccccc1 ZINC000278265808 256293195 /nfs/dbraw/zinc/29/31/95/256293195.db2.gz YPVVZHVIFLRMHU-GOSISDBHSA-N 1 0 367.409 2.780 20 5 FFBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000278326315 256300230 /nfs/dbraw/zinc/30/02/30/256300230.db2.gz VTANHRRGAONYKR-LSDHHAIUSA-N 1 0 360.458 2.701 20 5 FFBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000285794705 257005236 /nfs/dbraw/zinc/00/52/36/257005236.db2.gz MMFNXPVPKOMXPR-XJKSGUPXSA-N 1 0 356.426 2.704 20 5 FFBDRO Cc1cc(OCC(=O)NC2CC[NH+](C3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000281384731 256630675 /nfs/dbraw/zinc/63/06/75/256630675.db2.gz MXCVXUSOMKCUIA-UHFFFAOYSA-N 1 0 361.442 2.805 20 5 FFBDRO O=C(C[N@H+]1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O)Nc1ccccc1[N+](=O)[O-] ZINC000281021867 256595504 /nfs/dbraw/zinc/59/55/04/256595504.db2.gz OLUZARIJFNLIGP-KYJSFNMBSA-N 1 0 361.442 2.939 20 5 FFBDRO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000283628531 256892526 /nfs/dbraw/zinc/89/25/26/256892526.db2.gz BIOLIBLHERHIFN-JTDSTZFVSA-N 1 0 354.410 2.682 20 5 FFBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000287029095 257067922 /nfs/dbraw/zinc/06/79/22/257067922.db2.gz SFUJGLLBHZIENR-XJKSGUPXSA-N 1 0 357.414 2.703 20 5 FFBDRO O=c1[nH]c(N2CCC[C@H]([NH+]3CCCC3)CC2)nc2ccc([N+](=O)[O-])cc21 ZINC000287509259 257093344 /nfs/dbraw/zinc/09/33/44/257093344.db2.gz ZHMRHLQZTWENAW-ZDUSSCGKSA-N 1 0 357.414 2.698 20 5 FFBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)C1CCN(CC(F)F)CC1 ZINC000287719381 257105383 /nfs/dbraw/zinc/10/53/83/257105383.db2.gz LHGOKGDEPLAVTM-UHFFFAOYSA-N 1 0 361.776 2.842 20 5 FFBDRO CCn1c(C)nc([N+](=O)[O-])c1N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000288480029 257193687 /nfs/dbraw/zinc/19/36/87/257193687.db2.gz RRCWLDWRCPZDTR-CALCHBBNSA-N 1 0 355.442 2.688 20 5 FFBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000288494299 257196059 /nfs/dbraw/zinc/19/60/59/257196059.db2.gz RSSMKLISTWWWCR-IUODEOHRSA-N 1 0 353.369 2.772 20 5 FFBDRO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000289279769 257271344 /nfs/dbraw/zinc/27/13/44/257271344.db2.gz PZALSXAKEXOXDE-OAHLLOKOSA-N 1 0 368.231 2.573 20 5 FFBDRO COc1cc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])cc(OC)c1OC ZINC000289762676 257297779 /nfs/dbraw/zinc/29/77/79/257297779.db2.gz JZTAMARYONCKSC-UHFFFAOYSA-N 1 0 361.398 2.586 20 5 FFBDRO COc1ncccc1CC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000289857719 257303299 /nfs/dbraw/zinc/30/32/99/257303299.db2.gz QCPMYXZTJYTTLK-UHFFFAOYSA-N 1 0 367.409 2.731 20 5 FFBDRO COc1ccc(OCCN2CC[C@@H](n3cc(Cl)cn3)C2)c([N+](=O)[O-])c1 ZINC000289999157 257310705 /nfs/dbraw/zinc/31/07/05/257310705.db2.gz SXUDQJDGNKXGOZ-CYBMUJFWSA-N 1 0 366.805 2.779 20 5 FFBDRO CC[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H]1CCOC(C)(C)C1 ZINC000290014169 257311433 /nfs/dbraw/zinc/31/14/33/257311433.db2.gz ZXOKCXJAAHXRQY-MRXNPFEDSA-N 1 0 361.442 2.763 20 5 FFBDRO CC(C)S(=O)(=O)CC[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000290520168 257338407 /nfs/dbraw/zinc/33/84/07/257338407.db2.gz YXQDMBXEUVIRID-HOCLYGCPSA-N 1 0 354.472 2.719 20 5 FFBDRO CC[NH+](CC)Cc1cccc(CNc2nccc(C(N)=O)c2[N+](=O)[O-])c1 ZINC000290538134 257339848 /nfs/dbraw/zinc/33/98/48/257339848.db2.gz OXQZMTIILGJXIW-UHFFFAOYSA-N 1 0 357.414 2.543 20 5 FFBDRO CCOc1cc(C[NH2+][C@@H](C(N)=O)[C@H](C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000292152785 257464882 /nfs/dbraw/zinc/46/48/82/257464882.db2.gz KHZNKVFTJLKMFZ-FZKQIMNGSA-N 1 0 357.410 2.741 20 5 FFBDRO O=[N+]([O-])c1ccc(Br)cc1NCCCC[NH+]1CCOCC1 ZINC000301368232 258045769 /nfs/dbraw/zinc/04/57/69/258045769.db2.gz TXKQMPLMCNCQLN-UHFFFAOYSA-N 1 0 358.236 2.882 20 5 FFBDRO Cc1cc([N+](=O)[O-])cnc1N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000301391214 258046767 /nfs/dbraw/zinc/04/67/67/258046767.db2.gz HCIZRXSLOFDQAA-MRXNPFEDSA-N 1 0 355.442 2.921 20 5 FFBDRO COc1cc(CNCCC[NH+](C)C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000299578175 258006976 /nfs/dbraw/zinc/00/69/76/258006976.db2.gz CROHSARWVSTCOA-UHFFFAOYSA-N 1 0 365.352 2.586 20 5 FFBDRO CC(=O)c1ccc(N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)c([N+](=O)[O-])c1 ZINC000299690998 258017564 /nfs/dbraw/zinc/01/75/64/258017564.db2.gz NKGBZJDFZMHYLP-HOTGVXAUSA-N 1 0 374.485 2.792 20 5 FFBDRO C[NH+](C)[C@@H](CNc1ncc([N+](=O)[O-])c(N)n1)c1cccc(C(F)(F)F)c1 ZINC000302213479 258096043 /nfs/dbraw/zinc/09/60/43/258096043.db2.gz FSZRMFIMTBUIGF-NSHDSACASA-N 1 0 370.335 2.701 20 5 FFBDRO COC(=O)c1cnc(N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000302749517 258109716 /nfs/dbraw/zinc/10/97/16/258109716.db2.gz GRQRHRXGLSQSBX-JHJVBQTASA-N 1 0 350.419 2.555 20 5 FFBDRO COC(=O)c1cnc(N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000302772841 258110354 /nfs/dbraw/zinc/11/03/54/258110354.db2.gz NOBVUFNJDONXBR-CJNGLKHVSA-N 1 0 370.409 2.851 20 5 FFBDRO COc1cc(F)c([N+](=O)[O-])c(NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c1 ZINC000301712945 258064399 /nfs/dbraw/zinc/06/43/99/258064399.db2.gz VUJKLFGDFBRZOW-DLBZAZTESA-N 1 0 367.421 2.922 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](C(C)(C)C)[C@H](O)C1 ZINC000330703740 258168817 /nfs/dbraw/zinc/16/88/17/258168817.db2.gz JIRFKMQMQMCWJK-NVXWUHKLSA-N 1 0 363.458 2.961 20 5 FFBDRO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000331374203 258183815 /nfs/dbraw/zinc/18/38/15/258183815.db2.gz FZARLJKSFCFYQE-HOTGVXAUSA-N 1 0 367.833 2.574 20 5 FFBDRO Cc1c(NC(=O)CCN2C[C@@H]3CCCC[N@H+]3C[C@H]2C)cccc1[N+](=O)[O-] ZINC000332008724 258210100 /nfs/dbraw/zinc/21/01/00/258210100.db2.gz JSUQEZANNSMVID-ZBFHGGJFSA-N 1 0 360.458 2.790 20 5 FFBDRO CC1(C)C[NH+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC(C)(C)O1 ZINC000332038724 258211467 /nfs/dbraw/zinc/21/14/67/258211467.db2.gz KEGGVQVXMMSNAV-UHFFFAOYSA-N 1 0 363.414 2.782 20 5 FFBDRO C[C@H]1CCCN(c2ccc(C(=O)NCC3CC[NH+](C)CC3)cc2[N+](=O)[O-])C1 ZINC000332066329 258212473 /nfs/dbraw/zinc/21/24/73/258212473.db2.gz SDOGZPTZMKQEGV-HNNXBMFYSA-N 1 0 374.485 2.903 20 5 FFBDRO COc1cc(CN2C[C@@H]([NH+]3CCCC3)[C@@H](SC)C2)c([N+](=O)[O-])cc1F ZINC000332084506 258213401 /nfs/dbraw/zinc/21/34/01/258213401.db2.gz PUJGYSJWMUZYFR-WBVHZDCISA-N 1 0 369.462 2.754 20 5 FFBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3ccc(OC(F)F)c([N+](=O)[O-])c3)CC[C@H]21 ZINC000332485925 258232073 /nfs/dbraw/zinc/23/20/73/258232073.db2.gz AWAGWPRYPZUFAR-QWHCGFSZSA-N 1 0 369.368 2.753 20 5 FFBDRO C[C@@H]1C[C@@H](NC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CC[N@@H+]1C ZINC000331825449 258201793 /nfs/dbraw/zinc/20/17/93/258201793.db2.gz MXYBKXOLVQJHQR-OIISXLGYSA-N 1 0 360.458 2.967 20 5 FFBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCC[N@H+](C)CC3)cc2[N+](=O)[O-])C1 ZINC000097617975 132229983 /nfs/dbraw/zinc/22/99/83/132229983.db2.gz TZCQSZPQMPCKGK-IYBDPMFKSA-N 1 0 374.485 2.855 20 5 FFBDRO C[NH+](C)[C@H](CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)c1ccsc1 ZINC000032369005 506246187 /nfs/dbraw/zinc/24/61/87/506246187.db2.gz HQCWHGZQRCAHAW-CQSZACIVSA-N 1 0 359.411 2.565 20 5 FFBDRO CCCCN(C)C(=O)C1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000065535532 506319094 /nfs/dbraw/zinc/31/90/94/506319094.db2.gz MAFAARURXWNNMY-UHFFFAOYSA-N 1 0 363.458 2.944 20 5 FFBDRO Cc1n[nH]cc1C1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000375338540 512275626 /nfs/dbraw/zinc/27/56/26/512275626.db2.gz YLBVUHSIKWRMAL-UHFFFAOYSA-N 1 0 357.414 2.835 20 5 FFBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000054223607 506516003 /nfs/dbraw/zinc/51/60/03/506516003.db2.gz KFQDIVDRBRRBRL-RDJZCZTQSA-N 1 0 369.421 2.925 20 5 FFBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000054645702 506595065 /nfs/dbraw/zinc/59/50/65/506595065.db2.gz GJLMYMOKBIUQEG-SFHVURJKSA-N 1 0 368.437 2.711 20 5 FFBDRO CC[NH+]1CCC(n2nccc2NC(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000066662853 506597166 /nfs/dbraw/zinc/59/71/66/506597166.db2.gz APBPWQRDOUBVFJ-UHFFFAOYSA-N 1 0 361.377 2.840 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NCCC[NH+]1CCCCCC1 ZINC000043126941 506704021 /nfs/dbraw/zinc/70/40/21/506704021.db2.gz MVTGBEORUJDYAK-UHFFFAOYSA-N 1 0 350.419 2.991 20 5 FFBDRO Cc1c(NC(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000043347345 506737160 /nfs/dbraw/zinc/73/71/60/506737160.db2.gz VUYHBWLYUUJTGI-STQMWFEESA-N 1 0 350.419 2.524 20 5 FFBDRO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)NC(=O)NC1CCCCC1 ZINC000056196803 506959958 /nfs/dbraw/zinc/95/99/58/506959958.db2.gz UIONTTTZJZBCKB-CHWSQXEVSA-N 1 0 362.430 2.792 20 5 FFBDRO O=C(NCCC[N@@H+]1CCc2ccccc2C1)NCc1ccccc1[N+](=O)[O-] ZINC000045623269 506993194 /nfs/dbraw/zinc/99/31/94/506993194.db2.gz RTOHPLZGRWOQSM-UHFFFAOYSA-N 1 0 368.437 2.842 20 5 FFBDRO Cc1c(NC(=O)[C@H](C)N2CC[NH+](C3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000045768822 507016085 /nfs/dbraw/zinc/01/60/85/507016085.db2.gz XYHBLUWBUCZQPP-HNNXBMFYSA-N 1 0 360.458 2.790 20 5 FFBDRO COc1ccc(CC(=O)N2CC[NH+](CCC(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000067909539 507047769 /nfs/dbraw/zinc/04/77/69/507047769.db2.gz YVCXDGGPDBGOLH-UHFFFAOYSA-N 1 0 363.458 2.726 20 5 FFBDRO C[C@@H](CNc1ccc(C(N)=O)cc1[N+](=O)[O-])[N@@H+]1CCc2sccc2C1 ZINC000046479122 507141894 /nfs/dbraw/zinc/14/18/94/507141894.db2.gz VPEGLZXAFJOIGV-NSHDSACASA-N 1 0 360.439 2.614 20 5 FFBDRO C[NH+](C)[C@H](CNC(=O)CNc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000068217806 507152610 /nfs/dbraw/zinc/15/26/10/507152610.db2.gz DDNGNNFEVNZFMG-QGZVFWFLSA-N 1 0 360.389 2.565 20 5 FFBDRO CC[NH+](CC)[C@@H](CNC(=O)CNc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000068256509 507163344 /nfs/dbraw/zinc/16/33/44/507163344.db2.gz ZFEYVMPLPAXICS-INIZCTEOSA-N 1 0 360.414 2.799 20 5 FFBDRO CCCc1n[nH]c(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000068333443 507190089 /nfs/dbraw/zinc/19/00/89/507190089.db2.gz DAVPQPRFMLPCOG-INIZCTEOSA-N 1 0 371.441 2.837 20 5 FFBDRO COc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])o2)[NH+]2CCCC2)cc1 ZINC000046868455 507212799 /nfs/dbraw/zinc/21/27/99/507212799.db2.gz DYEUNFROHADRNG-HNNXBMFYSA-N 1 0 359.382 2.763 20 5 FFBDRO O=C(COc1cccc([N+](=O)[O-])c1)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000046917775 507221272 /nfs/dbraw/zinc/22/12/72/507221272.db2.gz RMGNTCXIAFEMRS-IBGZPJMESA-N 1 0 369.421 2.927 20 5 FFBDRO O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000377562396 512327411 /nfs/dbraw/zinc/32/74/11/512327411.db2.gz KZMBMNSURLXMOQ-GOSISDBHSA-N 1 0 372.450 2.934 20 5 FFBDRO CC[NH+](CC)CCNC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 ZINC000022704560 507304523 /nfs/dbraw/zinc/30/45/23/507304523.db2.gz LXVHRXSUHKPIJC-UHFFFAOYSA-N 1 0 373.457 2.528 20 5 FFBDRO O=C(C[N@H+](C[C@@H]1CCOC1)C1CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000047405726 507324022 /nfs/dbraw/zinc/32/40/22/507324022.db2.gz HMHSDOPRKSPVJR-NSHDSACASA-N 1 0 353.806 2.688 20 5 FFBDRO CSc1ccc(C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000023509031 507356721 /nfs/dbraw/zinc/35/67/21/507356721.db2.gz ZCMICJPTAXBGGI-STQMWFEESA-N 1 0 367.471 2.546 20 5 FFBDRO CSc1ccc(C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000023509028 507356766 /nfs/dbraw/zinc/35/67/66/507356766.db2.gz ZCMICJPTAXBGGI-BETUJISGSA-N 1 0 367.471 2.546 20 5 FFBDRO CC(C)(CNC(=O)NCCOc1ccc([N+](=O)[O-])cc1)[NH+]1CCCCC1 ZINC000069041893 507389192 /nfs/dbraw/zinc/38/91/92/507389192.db2.gz VYELIONQCVGCRK-UHFFFAOYSA-N 1 0 364.446 2.537 20 5 FFBDRO CC(C)OCCCNC(=O)C1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000047769336 507391581 /nfs/dbraw/zinc/39/15/81/507391581.db2.gz AHNOPBNZBHZTJK-UHFFFAOYSA-N 1 0 363.458 2.738 20 5 FFBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000069784446 507559184 /nfs/dbraw/zinc/55/91/84/507559184.db2.gz BCZHACHWZNRALB-CYBMUJFWSA-N 1 0 363.439 2.696 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH+](CC3CCCCC3)CC2)c1 ZINC000070825639 507643002 /nfs/dbraw/zinc/64/30/02/507643002.db2.gz ANDRUFAHUNJROH-UHFFFAOYSA-N 1 0 361.442 2.942 20 5 FFBDRO COc1ccc(C[N@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1C ZINC000071959598 507730617 /nfs/dbraw/zinc/73/06/17/507730617.db2.gz WYRVPTZTTRAKTR-QGZVFWFLSA-N 1 0 360.410 2.784 20 5 FFBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000031524842 507819877 /nfs/dbraw/zinc/81/98/77/507819877.db2.gz VVIPVSUFZKEOSN-UHFFFAOYSA-N 1 0 356.426 2.849 20 5 FFBDRO COc1cc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)ccc1S(C)(=O)=O ZINC000089513481 507844360 /nfs/dbraw/zinc/84/43/60/507844360.db2.gz BGKCWHVJUQANHA-LBPRGKRZSA-N 1 0 364.423 2.858 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CC3CCOCC3)CC2)cc1OC(F)F ZINC000078293093 507856877 /nfs/dbraw/zinc/85/68/77/507856877.db2.gz SPGNTEBSYGHDGJ-UHFFFAOYSA-N 1 0 371.384 2.745 20 5 FFBDRO CCSCC[C@@H](C)[N@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000072900773 507871395 /nfs/dbraw/zinc/87/13/95/507871395.db2.gz BHCQSCLGMFUMOF-CYBMUJFWSA-N 1 0 351.472 2.947 20 5 FFBDRO Cc1cnc(N2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000078659692 507895030 /nfs/dbraw/zinc/89/50/30/507895030.db2.gz MHQAHWDGKRODNB-UHFFFAOYSA-N 1 0 369.469 2.552 20 5 FFBDRO CC(C)=CCC[C@H](C)[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000090015410 507902576 /nfs/dbraw/zinc/90/25/76/507902576.db2.gz ZEBLLNKVDQIKGA-AWEZNQCLSA-N 1 0 355.460 2.598 20 5 FFBDRO COc1ccc(C[C@H](C)C[N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000090619701 507930736 /nfs/dbraw/zinc/93/07/36/507930736.db2.gz MAUBLNHVWNLZRJ-HNNXBMFYSA-N 1 0 359.426 2.576 20 5 FFBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccc(NS(C)(=O)=O)cc1 ZINC000090910244 507938932 /nfs/dbraw/zinc/93/89/32/507938932.db2.gz INNHLADUBIELLI-CYBMUJFWSA-N 1 0 363.439 2.860 20 5 FFBDRO CC[C@H](CSC)[N@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000091099785 507955045 /nfs/dbraw/zinc/95/50/45/507955045.db2.gz JANZASZYYDTDGH-GFCCVEGCSA-N 1 0 353.444 2.966 20 5 FFBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC[C@@H]2CC[N@H+](C)C2)CC1 ZINC000109849251 507991628 /nfs/dbraw/zinc/99/16/28/507991628.db2.gz QXTXHBBPVWDJIG-HNNXBMFYSA-N 1 0 360.458 2.513 20 5 FFBDRO C[NH+](C)C1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000079894016 508012307 /nfs/dbraw/zinc/01/23/07/508012307.db2.gz SKXMFPHDOBADMD-UHFFFAOYSA-N 1 0 356.220 2.524 20 5 FFBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000075109128 508083527 /nfs/dbraw/zinc/08/35/27/508083527.db2.gz BHFOLNSCBNSCAF-SFHVURJKSA-N 1 0 368.437 2.711 20 5 FFBDRO COc1ccc(C[N@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])cc1O ZINC000080964186 508118005 /nfs/dbraw/zinc/11/80/05/508118005.db2.gz HKXWYYCVPZVRHB-UHFFFAOYSA-N 1 0 359.382 2.770 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+](Cc2ccccc2)C2CCCCC2)c1 ZINC000075645528 508125021 /nfs/dbraw/zinc/12/50/21/508125021.db2.gz BHLQOKVPRBHVKP-IBGZPJMESA-N 1 0 358.442 2.987 20 5 FFBDRO CC[C@@H](Cc1ccc(C)cc1)[N@H+](CC)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075885788 508139916 /nfs/dbraw/zinc/13/99/16/508139916.db2.gz BJEGOCFXEXRLHY-HKUYNNGSSA-N 1 0 360.458 2.804 20 5 FFBDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000081128577 508141092 /nfs/dbraw/zinc/14/10/92/508141092.db2.gz CKNHOJHKJUAVBG-IBGZPJMESA-N 1 0 353.422 2.870 20 5 FFBDRO COc1cc(CN(C)CC[C@@H]2CCCC[N@@H+]2C)c([N+](=O)[O-])cc1OC ZINC000093660037 508151926 /nfs/dbraw/zinc/15/19/26/508151926.db2.gz PZHMXOKANRCAEN-HNNXBMFYSA-N 1 0 351.447 2.918 20 5 FFBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000081364567 508167732 /nfs/dbraw/zinc/16/77/32/508167732.db2.gz IQQQRXIJBZWLAF-HNNXBMFYSA-N 1 0 371.441 2.584 20 5 FFBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000081631507 508198960 /nfs/dbraw/zinc/19/89/60/508198960.db2.gz HRUBWGCKETZPAX-GOEBONIOSA-N 1 0 360.458 2.586 20 5 FFBDRO COc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000112700710 508211350 /nfs/dbraw/zinc/21/13/50/508211350.db2.gz BJQWRFRSGCLUMC-OAHLLOKOSA-N 1 0 363.458 2.978 20 5 FFBDRO CC[NH+](CC)Cc1ccc(CNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)cc1 ZINC000102323969 508271813 /nfs/dbraw/zinc/27/18/13/508271813.db2.gz IEDZDCXNVFDVMI-UHFFFAOYSA-N 1 0 373.457 2.685 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCC1CC[NH+](C)CC1 ZINC000102639947 508280069 /nfs/dbraw/zinc/28/00/69/508280069.db2.gz KJLWRLICMVQWDS-LBPRGKRZSA-N 1 0 369.849 2.864 20 5 FFBDRO CCCc1n[nH]c(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000114799331 508348536 /nfs/dbraw/zinc/34/85/36/508348536.db2.gz DOMCHPBJTGCIPV-OAHLLOKOSA-N 1 0 371.441 2.665 20 5 FFBDRO C[N@H+](CCNC(=O)CCc1cccc([N+](=O)[O-])c1)Cc1ccc(F)cc1 ZINC000087365826 508349551 /nfs/dbraw/zinc/34/95/51/508349551.db2.gz OZXDKMVWHMYHKF-UHFFFAOYSA-N 1 0 359.401 2.915 20 5 FFBDRO CCOc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccco2)cc1[N+](=O)[O-] ZINC000088229942 508358744 /nfs/dbraw/zinc/35/87/44/508358744.db2.gz BBUPRNASNONQRU-UHFFFAOYSA-N 1 0 361.398 2.791 20 5 FFBDRO CCCC[NH+]1CCC(NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC000088546783 508375749 /nfs/dbraw/zinc/37/57/49/508375749.db2.gz HEIXXAQYCIWTRN-UHFFFAOYSA-N 1 0 360.458 2.927 20 5 FFBDRO C[NH+](C)[C@H](Cc1ccccc1)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000156510126 508431081 /nfs/dbraw/zinc/43/10/81/508431081.db2.gz UOCVQWFOTFSKBY-LJQANCHMSA-N 1 0 353.422 2.652 20 5 FFBDRO C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C[N@@H+]1C1CC1 ZINC000133779712 508448305 /nfs/dbraw/zinc/44/83/05/508448305.db2.gz MZMQTUPOBVSRRH-CABZTGNLSA-N 1 0 357.332 2.969 20 5 FFBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000121929451 508451621 /nfs/dbraw/zinc/45/16/21/508451621.db2.gz JINAPMZUIYJRCM-YGRLFVJLSA-N 1 0 370.247 2.628 20 5 FFBDRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000121999304 508464580 /nfs/dbraw/zinc/46/45/80/508464580.db2.gz VSGGRZLGYLGSBQ-ZANVPECISA-N 1 0 356.220 2.699 20 5 FFBDRO Cc1c(C(=O)N(CC[NH+](C)C)C(C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000156768301 508474883 /nfs/dbraw/zinc/47/48/83/508474883.db2.gz UNNZSZDVNXRSHR-UHFFFAOYSA-N 1 0 352.391 2.532 20 5 FFBDRO C[NH+](C)CC[C@H](NC(=O)NCCc1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000116423794 508511920 /nfs/dbraw/zinc/51/19/20/508511920.db2.gz ZXDFHILKZPWADC-INIZCTEOSA-N 1 0 350.463 2.803 20 5 FFBDRO C[C@H]([C@H]1Cc2ccccc2O1)[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000134247238 508513359 /nfs/dbraw/zinc/51/33/59/508513359.db2.gz IRJXCKHXGSZTJB-KZULUSFZSA-N 1 0 355.394 2.518 20 5 FFBDRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000122382338 508526473 /nfs/dbraw/zinc/52/64/73/508526473.db2.gz CUHVJKYPDHMZGU-MRXNPFEDSA-N 1 0 358.442 2.753 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000157194325 508535911 /nfs/dbraw/zinc/53/59/11/508535911.db2.gz RUZUIGICZZSDOW-MRXNPFEDSA-N 1 0 360.458 2.792 20 5 FFBDRO CC[N@@H+]1CCC[C@H](CNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000116738803 508552743 /nfs/dbraw/zinc/55/27/43/508552743.db2.gz KZJBGUVZQCRHAM-CYBMUJFWSA-N 1 0 369.849 2.865 20 5 FFBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000116738806 508552753 /nfs/dbraw/zinc/55/27/53/508552753.db2.gz KZJBGUVZQCRHAM-ZDUSSCGKSA-N 1 0 369.849 2.865 20 5 FFBDRO O=[N+]([O-])c1cc(I)ccc1OCC[C@@H]1CC[NH2+]C1 ZINC000122555962 508553863 /nfs/dbraw/zinc/55/38/63/508553863.db2.gz HYGXGHMAQLMLDH-VIFPVBQESA-N 1 0 362.167 2.578 20 5 FFBDRO O=C(CC[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000157400834 508562458 /nfs/dbraw/zinc/56/24/58/508562458.db2.gz GPWNKSIBRCIGQU-MRXNPFEDSA-N 1 0 360.458 2.874 20 5 FFBDRO CN(C(=O)Cn1c2ccccc2c(=O)c2ccccc21)[C@@H]1CCC[N@H+](C)C1 ZINC000153509854 508590696 /nfs/dbraw/zinc/59/06/96/508590696.db2.gz DDFVZOFMSMWDJI-MRXNPFEDSA-N 1 0 363.461 2.707 20 5 FFBDRO Cc1c(NC(=O)NCc2ccnc(OCC[NH+](C)C)c2)cccc1[N+](=O)[O-] ZINC000128630939 508620933 /nfs/dbraw/zinc/62/09/33/508620933.db2.gz KZACUXLNQCCNCK-UHFFFAOYSA-N 1 0 373.413 2.560 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CN1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC000153883100 508668647 /nfs/dbraw/zinc/66/86/47/508668647.db2.gz RSCXQXFRPFTWBF-AWEZNQCLSA-N 1 0 363.458 2.976 20 5 FFBDRO O=[N+]([O-])c1cc(CN2CCC[C@H](C[NH+]3CCOCC3)C2)ccc1Cl ZINC000153908449 508674942 /nfs/dbraw/zinc/67/49/42/508674942.db2.gz ICRICMLZWUMDDX-OAHLLOKOSA-N 1 0 353.850 2.792 20 5 FFBDRO CCCc1n[nH]c(C(=O)N(CC)Cc2ccc(C[NH+](C)C)cc2)c1[N+](=O)[O-] ZINC000158473484 508709370 /nfs/dbraw/zinc/70/93/70/508709370.db2.gz WJGFMOSRQWDQGJ-UHFFFAOYSA-N 1 0 373.457 2.994 20 5 FFBDRO C[NH+](C)[C@@H](CNC(=O)NCCc1cccc([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000136920988 508724690 /nfs/dbraw/zinc/72/46/90/508724690.db2.gz DSQARISHIHTNFI-SFHVURJKSA-N 1 0 374.416 2.879 20 5 FFBDRO CCOc1ccc([C@H](C)[NH2+]CCN2CCC(OC)CC2)cc1[N+](=O)[O-] ZINC000154156960 508727788 /nfs/dbraw/zinc/72/77/88/508727788.db2.gz AEPXKRJTYNFINO-AWEZNQCLSA-N 1 0 351.447 2.755 20 5 FFBDRO C[C@@H]1C[C@H](NC(=O)COc2cccc([N+](=O)[O-])c2)C[N@@H+]1Cc1ccccc1 ZINC000137459990 508757196 /nfs/dbraw/zinc/75/71/96/508757196.db2.gz MYFGUFBVIRJSJQ-WBVHZDCISA-N 1 0 369.421 2.753 20 5 FFBDRO COc1cc(C(=O)N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000137476473 508757464 /nfs/dbraw/zinc/75/74/64/508757464.db2.gz WLSZNRQAIHCRDW-YOEHRIQHSA-N 1 0 369.421 2.996 20 5 FFBDRO CCCc1n[nH]c(C(=O)NC[C@@H]2CCCC[N@@H+]2CC(C)C)c1[N+](=O)[O-] ZINC000154314359 508758253 /nfs/dbraw/zinc/75/82/53/508758253.db2.gz NTLZNCNLOBYAEV-ZDUSSCGKSA-N 1 0 351.451 2.511 20 5 FFBDRO COc1ccc(NC(=O)CC[N@@H+]2CCOC3(CCCC3)C2)c([N+](=O)[O-])c1 ZINC000139802578 508794891 /nfs/dbraw/zinc/79/48/91/508794891.db2.gz ZPKCTHIPEOEEAJ-UHFFFAOYSA-N 1 0 363.414 2.577 20 5 FFBDRO C[N@@H+]1CCC[C@@H]2CN(Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)CC[C@@H]21 ZINC000140053099 508799016 /nfs/dbraw/zinc/79/90/16/508799016.db2.gz AQULGWWXIFFQHG-ZBFHGGJFSA-N 1 0 357.414 2.561 20 5 FFBDRO CC[N@H+](CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Br)C(C)C ZINC000154639800 508824434 /nfs/dbraw/zinc/82/44/34/508824434.db2.gz KYLZXQWWOHVLSL-UHFFFAOYSA-N 1 0 372.263 2.746 20 5 FFBDRO COc1cc(C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000159348930 508828962 /nfs/dbraw/zinc/82/89/62/508828962.db2.gz ZNRBKVRCTMELJG-UHFFFAOYSA-N 1 0 369.421 2.952 20 5 FFBDRO CC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000369460207 512420499 /nfs/dbraw/zinc/42/04/99/512420499.db2.gz BDFNDXAITGBZPO-CQSZACIVSA-N 1 0 373.413 2.535 20 5 FFBDRO CC[NH+](CC)Cc1ccc(CNc2ncc([N+](=O)[O-])cc2C(N)=O)cc1 ZINC000124625053 508860772 /nfs/dbraw/zinc/86/07/72/508860772.db2.gz NGQMQVLPJYHFHM-UHFFFAOYSA-N 1 0 357.414 2.543 20 5 FFBDRO CC(C)[N@H+](CCN1C(=O)NC2(CCCC2)C1=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000159577106 508861356 /nfs/dbraw/zinc/86/13/56/508861356.db2.gz MRFVFVJMZZXLAL-UHFFFAOYSA-N 1 0 374.441 2.670 20 5 FFBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000119860124 508877874 /nfs/dbraw/zinc/87/78/74/508877874.db2.gz UEKGQFYWMCULRP-GUYCJALGSA-N 1 0 357.385 2.984 20 5 FFBDRO O=C(CN1CC[C@@H](C[NH+]2CCCC2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000150810965 508898213 /nfs/dbraw/zinc/89/82/13/508898213.db2.gz BEJCDMIGLDKLSM-ZDUSSCGKSA-N 1 0 366.849 2.604 20 5 FFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@](C)(O)c1ccsc1 ZINC000159973715 508919132 /nfs/dbraw/zinc/91/91/32/508919132.db2.gz NLVJFBAYZYXBDS-SJCJKPOMSA-N 1 0 363.439 2.871 20 5 FFBDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000125258508 508956436 /nfs/dbraw/zinc/95/64/36/508956436.db2.gz SFTJWVZINUOMFS-KRWDZBQOSA-N 1 0 362.474 2.805 20 5 FFBDRO C[C@H]([NH2+]CCS(=O)(=O)c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000160559557 509003098 /nfs/dbraw/zinc/00/30/98/509003098.db2.gz HOZFYDYBPGXYOY-LBPRGKRZSA-N 1 0 352.387 2.858 20 5 FFBDRO CC(C)C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCCc2cccnc21 ZINC000126853860 509138858 /nfs/dbraw/zinc/13/88/58/509138858.db2.gz WAMBOEGQVRLGSA-ZWKOTPCHSA-N 1 0 373.457 2.583 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)cc1SC ZINC000156223988 509146699 /nfs/dbraw/zinc/14/66/99/509146699.db2.gz SGEWQCAGXJFVFI-WDEREUQCSA-N 1 0 353.444 2.525 20 5 FFBDRO CC(C)=CCC[C@H](C)[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000162102774 509172551 /nfs/dbraw/zinc/17/25/51/509172551.db2.gz KVUAXRRPFGUIKK-AWEZNQCLSA-N 1 0 355.460 2.598 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000185473848 509195094 /nfs/dbraw/zinc/19/50/94/509195094.db2.gz XTMVTBXPQDOMLJ-UHFFFAOYSA-N 1 0 364.446 2.525 20 5 FFBDRO COc1ccc(F)cc1[C@H](C)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182403218 509220404 /nfs/dbraw/zinc/22/04/04/509220404.db2.gz JUJQRAOITCVZMZ-JSGCOSHPSA-N 1 0 364.373 2.833 20 5 FFBDRO CN(CC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000248088090 509234018 /nfs/dbraw/zinc/23/40/18/509234018.db2.gz SZZHGDNOFSXMND-OXQOHEQNSA-N 1 0 368.437 2.593 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000162516815 509242729 /nfs/dbraw/zinc/24/27/29/509242729.db2.gz PATSREMCBWZPNL-CQSZACIVSA-N 1 0 362.430 2.526 20 5 FFBDRO CC(C)(O)C[N@@H+](Cc1ccccc1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182472056 509254766 /nfs/dbraw/zinc/25/47/66/509254766.db2.gz XNPHGFBUTCIZJK-QGZVFWFLSA-N 1 0 374.437 2.608 20 5 FFBDRO C[C@@H]1C[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H]2CCCC[C@H]12 ZINC000182509840 509277338 /nfs/dbraw/zinc/27/73/38/509277338.db2.gz RPKBFNANRJOYEG-XYPHTWIQSA-N 1 0 352.456 2.879 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000266959813 509278810 /nfs/dbraw/zinc/27/88/10/509278810.db2.gz WOOLULUMSVHYMB-ZDUSSCGKSA-N 1 0 373.413 2.535 20 5 FFBDRO COc1cccc(C2CC[NH+](CCn3cc([N+](=O)[O-])ccc3=O)CC2)c1 ZINC000179205903 509319896 /nfs/dbraw/zinc/31/98/96/509319896.db2.gz UESOSPRTJGXDGA-UHFFFAOYSA-N 1 0 357.410 2.645 20 5 FFBDRO CCS[C@H]1CCCC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248450147 509326103 /nfs/dbraw/zinc/32/61/03/509326103.db2.gz ILYHZCRRLAXEQV-CABCVRRESA-N 1 0 354.472 2.942 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC000248473136 509335999 /nfs/dbraw/zinc/33/59/99/509335999.db2.gz WRDMEHURAVYZBO-FRFSOERESA-N 1 0 352.456 2.695 20 5 FFBDRO C[C@@H](Cc1ccc(O)cc1)[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248476038 509338784 /nfs/dbraw/zinc/33/87/84/509338784.db2.gz YBCGXCRPLKEUMI-WMLDXEAASA-N 1 0 360.410 2.603 20 5 FFBDRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1cccc([N+](=O)[O-])c1Br ZINC000182658299 509355166 /nfs/dbraw/zinc/35/51/66/509355166.db2.gz AWTMCSFUBKLCAU-SNVBAGLBSA-N 1 0 368.231 2.571 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(C)C1CC[NH+](C(C)C)CC1 ZINC000267133469 509358570 /nfs/dbraw/zinc/35/85/70/509358570.db2.gz DBEOTQZGGSSYCO-UHFFFAOYSA-N 1 0 369.487 2.705 20 5 FFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000264244276 509407694 /nfs/dbraw/zinc/40/76/94/509407694.db2.gz WBIAWSRXUUHQMF-ZDUSSCGKSA-N 1 0 351.472 2.876 20 5 FFBDRO Cc1c(NC(=O)NCC2([NH+]3CCCC3)CCOCC2)cccc1[N+](=O)[O-] ZINC000264265059 509422040 /nfs/dbraw/zinc/42/20/40/509422040.db2.gz JSEQXYIZSIOTSG-UHFFFAOYSA-N 1 0 362.430 2.670 20 5 FFBDRO Cc1cc(N2CCN(C[C@H](C)O)C[C@@H]2C)c(Br)cc1[N+](=O)[O-] ZINC000248671971 509429324 /nfs/dbraw/zinc/42/93/24/509429324.db2.gz UOGUTAXXDHBFCB-RYUDHWBXSA-N 1 0 372.263 2.557 20 5 FFBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000248701142 509442013 /nfs/dbraw/zinc/44/20/13/509442013.db2.gz AFZKVOPMXUGHAO-HNAYVOBHSA-N 1 0 369.421 2.610 20 5 FFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000248719146 509451960 /nfs/dbraw/zinc/45/19/60/509451960.db2.gz CELXJNXCAQZVCB-MLGOLLRUSA-N 1 0 372.400 2.566 20 5 FFBDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000236618191 509465157 /nfs/dbraw/zinc/46/51/57/509465157.db2.gz XEFRVMOJUHTLIC-CYBMUJFWSA-N 1 0 358.236 2.803 20 5 FFBDRO O=C(C[NH2+][C@H]1CCCc2c(O)cccc21)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000192363534 509484552 /nfs/dbraw/zinc/48/45/52/509484552.db2.gz ATIUSEGOCZXUAJ-KRWDZBQOSA-N 1 0 367.405 2.857 20 5 FFBDRO C[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000186075059 509511734 /nfs/dbraw/zinc/51/17/34/509511734.db2.gz GDURXNYYXWUVHB-KGLIPLIRSA-N 1 0 367.471 2.526 20 5 FFBDRO C[NH2+]CC1CCN(C(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)CC1 ZINC000237081471 509567332 /nfs/dbraw/zinc/56/73/32/509567332.db2.gz DMVYWVHITPAOFF-UHFFFAOYSA-N 1 0 374.485 2.903 20 5 FFBDRO Cc1ccc(S(=O)(=O)N2CCC(CCC[NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000166277536 509599029 /nfs/dbraw/zinc/59/90/29/509599029.db2.gz KHMUBTQGCLYUJV-UHFFFAOYSA-N 1 0 369.487 2.646 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2noc(CN3CC[C@H]([NH+]4CCCCC4)C3)n2)cc1 ZINC000264557263 509599246 /nfs/dbraw/zinc/59/92/46/509599246.db2.gz DUFLPKZWBRGZPD-INIZCTEOSA-N 1 0 357.414 2.705 20 5 FFBDRO C[C@@H](Nc1ccc(C(=O)N2CCC[C@@H]2C[NH3+])cc1[N+](=O)[O-])c1ccccn1 ZINC000237372993 509633719 /nfs/dbraw/zinc/63/37/19/509633719.db2.gz QRZHSYWOOXEBDE-UKRRQHHQSA-N 1 0 369.425 2.726 20 5 FFBDRO COCC[N@H+](C)CCCC1CCN(c2nc(C)ccc2[N+](=O)[O-])CC1 ZINC000179817194 509635574 /nfs/dbraw/zinc/63/55/74/509635574.db2.gz ZHBOQUSPCJBIJW-UHFFFAOYSA-N 1 0 350.463 2.873 20 5 FFBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000186310579 509637560 /nfs/dbraw/zinc/63/75/60/509637560.db2.gz JKTSKCLUNBRVMQ-UHFFFAOYSA-N 1 0 369.487 2.510 20 5 FFBDRO Cc1ccc([C@@H](C)NC(=O)c2ccnc(OCC[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000183225157 509667160 /nfs/dbraw/zinc/66/71/60/509667160.db2.gz PSAGLHHCHNYHEO-CQSZACIVSA-N 1 0 372.425 2.730 20 5 FFBDRO O=C(NCCC[NH+]1CCCC1)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000267945060 509682047 /nfs/dbraw/zinc/68/20/47/509682047.db2.gz UAXUZNQQJXIOPW-UHFFFAOYSA-N 1 0 374.210 2.712 20 5 FFBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)NCC[NH2+]C3CC3)cc2[N+](=O)[O-])C1 ZINC000237691870 509711681 /nfs/dbraw/zinc/71/16/81/509711681.db2.gz JYAXPQBSPSLLFM-OKILXGFUSA-N 1 0 360.458 2.559 20 5 FFBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3C[C@@H](C)[NH2+]C[C@@H]3C)cc2[N+](=O)[O-])C1 ZINC000237691546 509712097 /nfs/dbraw/zinc/71/20/97/509712097.db2.gz FZAAXMNOHJIVNL-QXSJWSMHSA-N 1 0 374.485 2.900 20 5 FFBDRO Cc1csc(Sc2ccc(C(=O)NCC(C)(C)[NH3+])cc2[N+](=O)[O-])n1 ZINC000237817810 509741341 /nfs/dbraw/zinc/74/13/41/509741341.db2.gz IUZUIOFXCMFCPW-UHFFFAOYSA-N 1 0 366.468 2.978 20 5 FFBDRO [NH3+]C1(CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])CCCCC1 ZINC000237837661 509748158 /nfs/dbraw/zinc/74/81/58/509748158.db2.gz KZCKEMDOJGIEAY-UHFFFAOYSA-N 1 0 356.220 2.749 20 5 FFBDRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000237871308 509756713 /nfs/dbraw/zinc/75/67/13/509756713.db2.gz HXWPNPWHFGJUPS-AAEUAGOBSA-N 1 0 355.822 2.651 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](c3nccs3)C2)c1 ZINC000249803545 509766537 /nfs/dbraw/zinc/76/65/37/509766537.db2.gz ARWDPEUQOYFBJY-UKRRQHHQSA-N 1 0 363.439 2.671 20 5 FFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@@H]2CCS(=O)(=O)C2)s1 ZINC000237956389 509785585 /nfs/dbraw/zinc/78/55/85/509785585.db2.gz BYDCYGFHCULQMS-LBPRGKRZSA-N 1 0 366.464 2.848 20 5 FFBDRO CC(C)[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Cl)cc1F ZINC000180267213 509840090 /nfs/dbraw/zinc/84/00/90/509840090.db2.gz KTDNHMZEHXPZND-CZUORRHYSA-N 1 0 370.812 2.932 20 5 FFBDRO COc1cc(C(=O)NCC[N@H+](C)Cc2ccccc2)cc([N+](=O)[O-])c1C ZINC000189966417 509858047 /nfs/dbraw/zinc/85/80/47/509858047.db2.gz DPODFJPLTDDYAR-UHFFFAOYSA-N 1 0 357.410 2.774 20 5 FFBDRO CCS[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000190049154 509907427 /nfs/dbraw/zinc/90/74/27/509907427.db2.gz AFVVNCGQDYMKAK-JJRVBVJISA-N 1 0 354.472 2.988 20 5 FFBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000245408745 509911540 /nfs/dbraw/zinc/91/15/40/509911540.db2.gz ISMQWZOOEWKVPE-HUUCEWRRSA-N 1 0 371.224 2.688 20 5 FFBDRO C[C@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1cccc([N+](=O)[O-])c1 ZINC000180424648 509920736 /nfs/dbraw/zinc/92/07/36/509920736.db2.gz VUSLTMKIQBDEQR-LBPRGKRZSA-N 1 0 370.365 2.743 20 5 FFBDRO CC[N@H+](C)C[C@@H]1CCN([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000245445771 509939289 /nfs/dbraw/zinc/93/92/89/509939289.db2.gz KQDCVRBBWVQABV-KGLIPLIRSA-N 1 0 359.430 2.979 20 5 FFBDRO CC[NH+](CC)[C@H]1CCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000245450093 509942551 /nfs/dbraw/zinc/94/25/51/509942551.db2.gz OHKGCMMAEZZDCX-OCCSQVGLSA-N 1 0 368.865 2.991 20 5 FFBDRO COC(=O)c1cnc(NC[C@H](c2ccc(F)cc2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000190169214 509983688 /nfs/dbraw/zinc/98/36/88/509983688.db2.gz YKSIGUSHERBJBV-OAHLLOKOSA-N 1 0 362.361 2.630 20 5 FFBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]([NH+](CC)CC)C2)cc1OC ZINC000174174398 509984696 /nfs/dbraw/zinc/98/46/96/509984696.db2.gz YXACKNLWHPGFIY-ZDUSSCGKSA-N 1 0 365.430 2.558 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000174184760 509989732 /nfs/dbraw/zinc/98/97/32/509989732.db2.gz QEFSZUAFWIXEKZ-HNNXBMFYSA-N 1 0 364.446 2.619 20 5 FFBDRO Cc1cc(NC(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000193624058 509994474 /nfs/dbraw/zinc/99/44/74/509994474.db2.gz SZDOUNGGFQLQCC-ZIAGYGMSSA-N 1 0 350.419 2.524 20 5 FFBDRO CC(C)n1cnnc1[C@H]1CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000245548147 509997022 /nfs/dbraw/zinc/99/70/22/509997022.db2.gz YFJXPMXVGQSYPC-DOTOQJQBSA-N 1 0 359.430 2.680 20 5 FFBDRO COC[C@@]1(CNc2cc(C)c([N+](=O)[O-])cc2Br)CCC[NH2+]1 ZINC000261702225 510032884 /nfs/dbraw/zinc/03/28/84/510032884.db2.gz OHDHKKLEOILCHO-AWEZNQCLSA-N 1 0 358.236 2.846 20 5 FFBDRO C[N@@H+]1CC[C@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1 ZINC000245631618 510049607 /nfs/dbraw/zinc/04/96/07/510049607.db2.gz IBMBRSMXNJWZTA-ZWKOTPCHSA-N 1 0 354.410 2.839 20 5 FFBDRO C[N@@H+]1CC[C@@H](NC(=O)NCc2cccc([N+](=O)[O-])c2)[C@H]1c1ccccc1 ZINC000245658884 510067139 /nfs/dbraw/zinc/06/71/39/510067139.db2.gz PBPFDDWLBMIDCI-QZTJIDSGSA-N 1 0 354.410 2.839 20 5 FFBDRO COCC1(CNC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000261807065 510072303 /nfs/dbraw/zinc/07/23/03/510072303.db2.gz WKXKKVIGEPSKGG-UHFFFAOYSA-N 1 0 363.458 2.638 20 5 FFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000171354652 510102600 /nfs/dbraw/zinc/10/26/00/510102600.db2.gz SPUJGZZYMZFJIN-QGZVFWFLSA-N 1 0 368.437 2.593 20 5 FFBDRO C[C@H](CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)[N@@H+]1CCC[C@@H](C)C1 ZINC000245721178 510107573 /nfs/dbraw/zinc/10/75/73/510107573.db2.gz WCTKIDTYRPHQQP-HUUCEWRRSA-N 1 0 371.441 2.631 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(c2ncc[nH]2)CC1 ZINC000265555318 510112566 /nfs/dbraw/zinc/11/25/66/510112566.db2.gz ZPPBELAUICOSIQ-UHFFFAOYSA-N 1 0 357.414 2.835 20 5 FFBDRO CCc1n[nH]c(C(=O)NCc2ccccc2C[NH+](CC)CC)c1[N+](=O)[O-] ZINC000171398003 510131464 /nfs/dbraw/zinc/13/14/64/510131464.db2.gz QAVUTVXWQQPLCX-UHFFFAOYSA-N 1 0 359.430 2.652 20 5 FFBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C1 ZINC000174526452 510160466 /nfs/dbraw/zinc/16/04/66/510160466.db2.gz ZDAKECIMNFYJNO-INIZCTEOSA-N 1 0 374.485 2.999 20 5 FFBDRO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C2 ZINC000174621643 510211711 /nfs/dbraw/zinc/21/17/11/510211711.db2.gz XKDITWBIJMBMCD-NWDGAFQWSA-N 1 0 357.332 2.922 20 5 FFBDRO C[NH2+][C@@H]1CCN(C(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC000269147276 510259152 /nfs/dbraw/zinc/25/91/52/510259152.db2.gz ZNFARSNRZSHAOP-IJEWVQPXSA-N 1 0 360.458 2.511 20 5 FFBDRO COc1ccc2oc([C@@H](C)[NH2+]C[C@H](O)Cn3cc([N+](=O)[O-])cn3)c(C)c2c1 ZINC000184321215 510261319 /nfs/dbraw/zinc/26/13/19/510261319.db2.gz MDVIGQAYQUULTP-OCCSQVGLSA-N 1 0 374.397 2.566 20 5 FFBDRO COc1cc(C(=O)Nc2cccc(C[NH+](C)C)c2)cc([N+](=O)[O-])c1OC ZINC000265864470 510271072 /nfs/dbraw/zinc/27/10/72/510271072.db2.gz DREACHZWKFHBES-UHFFFAOYSA-N 1 0 359.382 2.926 20 5 FFBDRO CC[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1nc(C)cs1 ZINC000184337232 510271427 /nfs/dbraw/zinc/27/14/27/510271427.db2.gz QCNBSDINOHVMTL-HIFRSBDPSA-N 1 0 351.428 2.840 20 5 FFBDRO C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000269240494 510303881 /nfs/dbraw/zinc/30/38/81/510303881.db2.gz XOEOBLMYGJHWKX-GJZGRUSLSA-N 1 0 360.458 2.703 20 5 FFBDRO CN(C[C@H]1CCC[N@H+](C)C1)c1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000265936166 510311805 /nfs/dbraw/zinc/31/18/05/510311805.db2.gz FCPNCCQEBLHMIW-HNNXBMFYSA-N 1 0 360.458 2.609 20 5 FFBDRO C[NH2+]C[C@H]1CCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000262585236 510325709 /nfs/dbraw/zinc/32/57/09/510325709.db2.gz UFCIMIMZPDXZDD-MRXNPFEDSA-N 1 0 368.437 2.888 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C)c1nccs1 ZINC000184442803 510326975 /nfs/dbraw/zinc/32/69/75/510326975.db2.gz YWAVFLQCZMNJSS-JTQLQIEISA-N 1 0 350.400 2.739 20 5 FFBDRO C[N@H+](CCCc1cc(-c2ccccc2)n[nH]1)CCn1cc([N+](=O)[O-])cn1 ZINC000174839505 510336684 /nfs/dbraw/zinc/33/66/84/510336684.db2.gz YNIUQWXJVYJRMG-UHFFFAOYSA-N 1 0 354.414 2.746 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N3CC[C@H]4CC[C@@H](C3)[NH2+]4)cc2[N+](=O)[O-])CC1 ZINC000262650968 510353128 /nfs/dbraw/zinc/35/31/28/510353128.db2.gz VECSFRMISFZMOX-SJORKVTESA-N 1 0 372.469 2.798 20 5 FFBDRO CC(C)c1n[nH]c(C(=O)N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000269453547 510415071 /nfs/dbraw/zinc/41/50/71/510415071.db2.gz GPTPDBXYTJCBLT-HIFRSBDPSA-N 1 0 371.441 2.834 20 5 FFBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N[C@@H]3CC[NH2+]C[C@@H]3C)cc2[N+](=O)[O-])C1 ZINC000262918268 510475928 /nfs/dbraw/zinc/47/59/28/510475928.db2.gz ZCDAIAGGGOUBAT-QSJFSLAZSA-N 1 0 374.485 2.805 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000181637525 510514906 /nfs/dbraw/zinc/51/49/06/510514906.db2.gz KMYNKVWDHHODII-UONOGXRCSA-N 1 0 361.442 2.986 20 5 FFBDRO C[C@@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)[NH+](C)C ZINC000269709344 510520626 /nfs/dbraw/zinc/52/06/26/510520626.db2.gz UGIDAXMTQICNIP-ZETCQYMHSA-N 1 0 364.627 2.691 20 5 FFBDRO C[C@@H]1C[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2Br)C[N@@H+]1C1CC1 ZINC000184856928 510549873 /nfs/dbraw/zinc/54/98/73/510549873.db2.gz HUZIPDDPOCZUAB-NXEZZACHSA-N 1 0 368.231 2.712 20 5 FFBDRO CCC(CC)(C[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)C(=O)OC ZINC000269895416 510587288 /nfs/dbraw/zinc/58/72/88/510587288.db2.gz MVZSGQCXPKZMGR-UHFFFAOYSA-N 1 0 352.387 2.530 20 5 FFBDRO CCCC[NH+]1CCC(NC(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000194951335 510607140 /nfs/dbraw/zinc/60/71/40/510607140.db2.gz XRHGHIRJIWVDBY-UHFFFAOYSA-N 1 0 350.419 2.989 20 5 FFBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)NCCOc2ccccc2)cc1[N+](=O)[O-] ZINC000181830356 510616033 /nfs/dbraw/zinc/61/60/33/510616033.db2.gz DHOPQQWELWSCAR-OAHLLOKOSA-N 1 0 357.410 2.749 20 5 FFBDRO CCCO[C@@H]1CCC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000181862855 510630970 /nfs/dbraw/zinc/63/09/70/510630970.db2.gz KMJBRXNBKHOJHO-JKSUJKDBSA-N 1 0 352.431 2.616 20 5 FFBDRO O=[N+]([O-])c1cnn(CCN2CCO[C@H](c3cccc(C(F)(F)F)c3)C2)c1 ZINC000175451606 510653219 /nfs/dbraw/zinc/65/32/19/510653219.db2.gz OUDDXPIJKFUFSJ-HNNXBMFYSA-N 1 0 370.331 2.884 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@H]2c2cccc(Cl)c2)c1 ZINC000246773977 510666041 /nfs/dbraw/zinc/66/60/41/510666041.db2.gz RYFKKCFKKGWBLO-CVEARBPZSA-N 1 0 350.806 2.643 20 5 FFBDRO Cc1cc(OC[C@H](O)C[N@@H+]2CCc3ccccc3C2)c(F)cc1[N+](=O)[O-] ZINC000185102550 510686283 /nfs/dbraw/zinc/68/62/83/510686283.db2.gz YMKAQARPWDBLDZ-MRXNPFEDSA-N 1 0 360.385 2.840 20 5 FFBDRO C[C@H]([NH2+]C(C)(C)CNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)c1ccccc1 ZINC000188405630 510749548 /nfs/dbraw/zinc/74/95/48/510749548.db2.gz RZYWHVOBFLQJOQ-LBPRGKRZSA-N 1 0 358.398 2.555 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H](C)C[NH+]1CCCCCC1 ZINC000188468017 510781601 /nfs/dbraw/zinc/78/16/01/510781601.db2.gz OAHMMLJQRHXRMK-AWEZNQCLSA-N 1 0 364.446 2.667 20 5 FFBDRO C[C@H]([NH2+]Cc1cnc(N2CCOCC2)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000185278644 510786420 /nfs/dbraw/zinc/78/64/20/510786420.db2.gz XXAPEXVNSAYDDL-ZDUSSCGKSA-N 1 0 360.389 2.816 20 5 FFBDRO C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)C(C)(C)C[NH+](C)C ZINC000182157287 510787207 /nfs/dbraw/zinc/78/72/07/510787207.db2.gz PBPNNTOHRVPUCJ-SNVBAGLBSA-N 1 0 359.373 2.902 20 5 FFBDRO CC(C)c1n[nH]c(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000270389084 510788003 /nfs/dbraw/zinc/78/80/03/510788003.db2.gz AHYSWJDDRBRUDA-XJKSGUPXSA-N 1 0 357.414 2.617 20 5 FFBDRO C[C@H]([NH3+])C1CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1 ZINC000178828081 510792613 /nfs/dbraw/zinc/79/26/13/510792613.db2.gz ATHURTQJTOLSSD-HNNXBMFYSA-N 1 0 363.461 2.741 20 5 FFBDRO C[C@H]([NH3+])C1CCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000178835063 510796117 /nfs/dbraw/zinc/79/61/17/510796117.db2.gz XBTROTPJNAUEFL-NSHDSACASA-N 1 0 355.822 2.603 20 5 FFBDRO CC[C@](C)([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1nccs1 ZINC000182184021 510799909 /nfs/dbraw/zinc/79/99/09/510799909.db2.gz KVVFLQQPWLCMTH-LRDDRELGSA-N 1 0 351.428 2.706 20 5 FFBDRO COC(=O)[C@@H]1CCCC[C@]1(C)[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000270436586 510809299 /nfs/dbraw/zinc/80/92/99/510809299.db2.gz KDQQDESCLFSSPS-KSSFIOAISA-N 1 0 374.397 2.856 20 5 FFBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000188523530 510810671 /nfs/dbraw/zinc/81/06/71/510810671.db2.gz AQKHDJFHSVEZRS-UHFFFAOYSA-N 1 0 360.458 2.905 20 5 FFBDRO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000185352093 510818225 /nfs/dbraw/zinc/81/82/25/510818225.db2.gz QLMZHXJVALENTR-OAHLLOKOSA-N 1 0 362.451 2.898 20 5 FFBDRO Cc1ccc([C@@H](CNc2ccc(C(N)=O)cc2[N+](=O)[O-])[NH+]2CCCC2)o1 ZINC000263759653 510829568 /nfs/dbraw/zinc/82/95/68/510829568.db2.gz UOEFJWVQUWWKIO-MRXNPFEDSA-N 1 0 358.398 2.844 20 5 FFBDRO C[C@H](C[NH+]1CCCCCC1)NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000185412158 510838896 /nfs/dbraw/zinc/83/88/96/510838896.db2.gz MGAFGZNBYDIQDH-OAHLLOKOSA-N 1 0 371.441 2.775 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1SC ZINC000247420708 510860383 /nfs/dbraw/zinc/86/03/83/510860383.db2.gz NZLISILUGQDXEJ-DGCLKSJQSA-N 1 0 367.471 2.738 20 5 FFBDRO CCOc1cc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000247554927 510865497 /nfs/dbraw/zinc/86/54/97/510865497.db2.gz ZCGNFKRNIRLLIY-QWHCGFSZSA-N 1 0 365.430 2.557 20 5 FFBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NC1CC[NH+](C2CCC2)CC1 ZINC000297268048 510880311 /nfs/dbraw/zinc/88/03/11/510880311.db2.gz VKIILEATWZIWGY-UHFFFAOYSA-N 1 0 356.426 2.752 20 5 FFBDRO CCOCCC[N@@H+]1CC[C@@H](NCc2ccc([N+](=O)[O-])c(F)c2)[C@@H](C)C1 ZINC000282478876 510993443 /nfs/dbraw/zinc/99/34/43/510993443.db2.gz LMFNXSRCCSLQGD-WMLDXEAASA-N 1 0 353.438 2.961 20 5 FFBDRO C[C@@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C(=O)NCCF ZINC000282725665 511088425 /nfs/dbraw/zinc/08/84/25/511088425.db2.gz QPYVTJMZVMWXSW-LLVKDONJSA-N 1 0 351.403 2.887 20 5 FFBDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000294543466 511099089 /nfs/dbraw/zinc/09/90/89/511099089.db2.gz RSPBNQLWJWWMHN-GFCCVEGCSA-N 1 0 355.410 2.983 20 5 FFBDRO CCOc1ccc(C(=O)N2CCC(C[NH+]3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000362033285 511120848 /nfs/dbraw/zinc/12/08/48/511120848.db2.gz UAFBDFIKZGNALB-UHFFFAOYSA-N 1 0 361.442 2.942 20 5 FFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCC3(CCOCC3)[C@@H]2O)c(Cl)c1 ZINC000282959921 511177776 /nfs/dbraw/zinc/17/77/76/511177776.db2.gz YIZAIBPPCYKJBI-CZUORRHYSA-N 1 0 354.834 2.906 20 5 FFBDRO C[C@H](Nc1cc(N2CCCC[C@@H]2CO)ncn1)c1ccc([N+](=O)[O-])cc1 ZINC000294926238 511224273 /nfs/dbraw/zinc/22/42/73/511224273.db2.gz KICLGKWRJLDAMP-XJKSGUPXSA-N 1 0 357.414 2.909 20 5 FFBDRO C[C@@H]1C[C@H](N(C)C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)CC[N@@H+]1C ZINC000294934731 511226119 /nfs/dbraw/zinc/22/61/19/511226119.db2.gz LEVDQBITTNXWDI-IUODEOHRSA-N 1 0 357.414 2.540 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)[C@@H](C)C1 ZINC000294946459 511230359 /nfs/dbraw/zinc/23/03/59/511230359.db2.gz LUVFCFLGNLFLRY-SCLBCKFNSA-N 1 0 371.441 2.787 20 5 FFBDRO COc1cc(C[NH2+][C@@H]2CCO[C@@H](c3cccnc3)C2)c([N+](=O)[O-])cc1O ZINC000294990314 511245335 /nfs/dbraw/zinc/24/53/35/511245335.db2.gz KQNSHFMIILUYFA-RHSMWYFYSA-N 1 0 359.382 2.714 20 5 FFBDRO CCN(Cc1c([N+](=O)[O-])ncn1C)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000362852290 511252020 /nfs/dbraw/zinc/25/20/20/511252020.db2.gz PTQMKMVZWUNDKC-DOTOQJQBSA-N 1 0 357.458 2.986 20 5 FFBDRO COc1ccc(NC(=O)CC[N@@H+]2CCCC[C@H]2C[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000298356575 511256803 /nfs/dbraw/zinc/25/68/03/511256803.db2.gz CCRAWWXNKPEJGG-KGLIPLIRSA-N 1 0 365.430 2.557 20 5 FFBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)c([N+](=O)[O-])c1 ZINC000298367250 511259726 /nfs/dbraw/zinc/25/97/26/511259726.db2.gz USQMUZNTOJEGRM-ZBFHGGJFSA-N 1 0 369.368 2.909 20 5 FFBDRO CC(C)N(C)c1ccc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cn1 ZINC000365117533 511266720 /nfs/dbraw/zinc/26/67/20/511266720.db2.gz QEODKSYPPVCPOO-UHFFFAOYSA-N 1 0 358.446 2.868 20 5 FFBDRO C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C[N@@H+]1C1CC1 ZINC000295059347 511266998 /nfs/dbraw/zinc/26/69/98/511266998.db2.gz TZXOELCLXRHCFQ-VHSXEESVSA-N 1 0 357.332 2.969 20 5 FFBDRO C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C[N@@H+]1C1CC1 ZINC000295059340 511267603 /nfs/dbraw/zinc/26/76/03/511267603.db2.gz TZXOELCLXRHCFQ-NXEZZACHSA-N 1 0 357.332 2.969 20 5 FFBDRO COc1cccc([C@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)c1 ZINC000271660305 511279002 /nfs/dbraw/zinc/27/90/02/511279002.db2.gz KVZUXDSILCGBMA-LBPRGKRZSA-N 1 0 359.382 2.901 20 5 FFBDRO Cn1c(Sc2c3ccccc3ncc2[N+](=O)[O-])nnc1C1CC[NH2+]CC1 ZINC000291763745 511328048 /nfs/dbraw/zinc/32/80/48/511328048.db2.gz BFUJNWPMECDFAV-UHFFFAOYSA-N 1 0 370.438 2.890 20 5 FFBDRO O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000365229138 511328881 /nfs/dbraw/zinc/32/88/81/511328881.db2.gz VCYNKZWKDXALFD-RISCZKNCSA-N 1 0 358.423 2.542 20 5 FFBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H](CCO)c2ccccc2)c([N+](=O)[O-])c1 ZINC000271824306 511337723 /nfs/dbraw/zinc/33/77/23/511337723.db2.gz WDLBIRBTORONII-INIZCTEOSA-N 1 0 373.409 2.645 20 5 FFBDRO COCC1(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CCOCC1 ZINC000291809933 511347095 /nfs/dbraw/zinc/34/70/95/511347095.db2.gz YAFAZDJOARTWMJ-UHFFFAOYSA-N 1 0 360.357 2.729 20 5 FFBDRO COc1cc(C(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000295315040 511359951 /nfs/dbraw/zinc/35/99/51/511359951.db2.gz CSVKTPQDIGVJHJ-GFCCVEGCSA-N 1 0 365.405 2.689 20 5 FFBDRO CC(C)[NH+]1CCC(NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000280174170 511363398 /nfs/dbraw/zinc/36/33/98/511363398.db2.gz TXXCUHCKEGDEQY-UHFFFAOYSA-N 1 0 357.813 2.919 20 5 FFBDRO C[C@H]1C[C@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000334078884 511450194 /nfs/dbraw/zinc/45/01/94/511450194.db2.gz MMJKRWIVJOJQHL-GXSJLCMTSA-N 1 0 356.220 2.570 20 5 FFBDRO C[C@H]1CN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC[N@@H+](C2CCC2)C1 ZINC000292076628 511455223 /nfs/dbraw/zinc/45/52/23/511455223.db2.gz DAOGSGHNJBSGFS-AWEZNQCLSA-N 1 0 371.441 2.951 20 5 FFBDRO Cc1c(NC(=O)CC[N@@H+]2CCOC[C@@H](C3CCC3)C2)cccc1[N+](=O)[O-] ZINC000292086658 511459823 /nfs/dbraw/zinc/45/98/23/511459823.db2.gz GIKQVNJZHRFDEC-INIZCTEOSA-N 1 0 361.442 2.980 20 5 FFBDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000298955851 511464265 /nfs/dbraw/zinc/46/42/65/511464265.db2.gz DJQYANWVLOXZCX-SJLPKXTDSA-N 1 0 358.442 2.552 20 5 FFBDRO Nc1ccc(NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)c([N+](=O)[O-])c1 ZINC000283757188 511489978 /nfs/dbraw/zinc/48/99/78/511489978.db2.gz MFLLCDXVKQEGBO-KRWDZBQOSA-N 1 0 356.426 2.746 20 5 FFBDRO C[C@@H]1C[C@H](N(C)Cc2c([N+](=O)[O-])ncn2C)CC[N@@H+]1Cc1ccccc1 ZINC000363355218 511499128 /nfs/dbraw/zinc/49/91/28/511499128.db2.gz IFPYLARFENUJIE-NVXWUHKLSA-N 1 0 357.458 2.813 20 5 FFBDRO Cc1c(NC(=O)CC[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)cccc1[N+](=O)[O-] ZINC000295820161 511524687 /nfs/dbraw/zinc/52/46/87/511524687.db2.gz BWOVBUYQCYUDPG-XWIAVFTESA-N 1 0 359.426 2.779 20 5 FFBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000295845540 511533240 /nfs/dbraw/zinc/53/32/40/511533240.db2.gz WUEMOPJBRWJASL-YOEHRIQHSA-N 1 0 359.426 2.643 20 5 FFBDRO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@H+](CCc4cscn4)CC3)nc2c1 ZINC000295873700 511541398 /nfs/dbraw/zinc/54/13/98/511541398.db2.gz ZFTIDPYTOZVYOM-UHFFFAOYSA-N 1 0 372.454 2.682 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2noc(C[NH2+][C@@H]3[C@H]4CCO[C@@H]4C34CCC4)n2)c1 ZINC000296076049 511611103 /nfs/dbraw/zinc/61/11/03/511611103.db2.gz GSUPFDHFISEOOW-BMFZPTHFSA-N 1 0 356.382 2.692 20 5 FFBDRO C[C@H](C(=O)NC1CCC(C)CC1)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365817944 511667663 /nfs/dbraw/zinc/66/76/63/511667663.db2.gz DNHQDYKKJHENPE-SHARSMKWSA-N 1 0 363.462 2.512 20 5 FFBDRO COC(=O)c1oc([C@@H](C)[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1C ZINC000365845805 511683865 /nfs/dbraw/zinc/68/38/65/511683865.db2.gz JTJRZWFITLYFMA-GFCCVEGCSA-N 1 0 362.386 2.877 20 5 FFBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](CO)C[C@@H](O)C(C)(C)C)cc1[N+](=O)[O-] ZINC000284454131 511729596 /nfs/dbraw/zinc/72/95/96/511729596.db2.gz SRTPNSVCLBPFSL-DXCKQFNASA-N 1 0 354.447 2.802 20 5 FFBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000292827614 511736126 /nfs/dbraw/zinc/73/61/26/511736126.db2.gz OMWXSLMWFSDOLI-ZDUSSCGKSA-N 1 0 373.375 2.768 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC=C(c3ccc(Cl)cc3)CC2)c1 ZINC000365934631 511737008 /nfs/dbraw/zinc/73/70/08/511737008.db2.gz RBVVXWWKKJAMAZ-KRWDZBQOSA-N 1 0 362.817 2.595 20 5 FFBDRO O=C(C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000296435749 511742503 /nfs/dbraw/zinc/74/25/03/511742503.db2.gz WIZYIDBOEZJFPW-XZJROXQQSA-N 1 0 365.817 2.734 20 5 FFBDRO CC(C)[C@@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C1(CO)CCC1 ZINC000292966179 511789297 /nfs/dbraw/zinc/78/92/97/511789297.db2.gz GDUXPNXJILUONI-QGZVFWFLSA-N 1 0 367.421 2.839 20 5 FFBDRO O=C(NCC1([NH+]2CCCC2)CCOCC1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000274405813 511823878 /nfs/dbraw/zinc/82/38/78/511823878.db2.gz UGIULMJAPKQVAA-UHFFFAOYSA-N 1 0 367.833 2.623 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000284857429 511901416 /nfs/dbraw/zinc/90/14/16/511901416.db2.gz RVQVVTREFMEGQZ-WBVHZDCISA-N 1 0 363.414 2.575 20 5 FFBDRO CCc1nocc1C[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000293413398 511956221 /nfs/dbraw/zinc/95/62/21/511956221.db2.gz MQGLEJHKZBFUNU-UHFFFAOYSA-N 1 0 362.386 2.614 20 5 FFBDRO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@H+](CCc4cccnc4)CC3)nc2c1 ZINC000274862955 511967537 /nfs/dbraw/zinc/96/75/37/511967537.db2.gz UWPDGCJFKDVWLN-UHFFFAOYSA-N 1 0 366.425 2.621 20 5 FFBDRO C[C@H](c1cnccn1)[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000274860781 511967694 /nfs/dbraw/zinc/96/76/94/511967694.db2.gz UEDQEISRMSTCQR-CYBMUJFWSA-N 1 0 367.413 2.534 20 5 FFBDRO CCC(=O)c1ccc(N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000366430490 512020274 /nfs/dbraw/zinc/02/02/74/512020274.db2.gz NMSOXBARGMXMJL-RDJZCZTQSA-N 1 0 374.485 2.650 20 5 FFBDRO CS(=O)(=O)CC[C@@H]1CCCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000366441813 512026633 /nfs/dbraw/zinc/02/66/33/512026633.db2.gz OXIJPFPFARGWIW-HNNXBMFYSA-N 1 0 370.471 2.653 20 5 FFBDRO CC(C)c1ccc(C[NH2+]C[C@H]2CCC[C@@]23NC(=O)N(C)C3=O)cc1[N+](=O)[O-] ZINC000360018718 512064270 /nfs/dbraw/zinc/06/42/70/512064270.db2.gz HLMIXKYOMBEZFR-AUUYWEPGSA-N 1 0 374.441 2.528 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCCC[C@@H]2c2nc3ccccc3o2)c1 ZINC000360037881 512065837 /nfs/dbraw/zinc/06/58/37/512065837.db2.gz SEHBFYYRSKOHCV-GOEBONIOSA-N 1 0 371.397 2.521 20 5 FFBDRO CN(C)c1ccc(C2CC[NH+](CCn3cc([N+](=O)[O-])ccc3=O)CC2)cc1 ZINC000364330134 512088035 /nfs/dbraw/zinc/08/80/35/512088035.db2.gz UQNRXROINYNQIX-UHFFFAOYSA-N 1 0 370.453 2.702 20 5 FFBDRO COc1ccc(OCC[N@@H+]2CCC[C@H](c3ccnn3C)C2)c([N+](=O)[O-])c1 ZINC000377823678 512467278 /nfs/dbraw/zinc/46/72/78/512467278.db2.gz LQDJCBSGDSJICJ-AWEZNQCLSA-N 1 0 360.414 2.595 20 5 FFBDRO CC(C)[NH+]1CCN([C@@H]2CCN(c3ccc([N+](=O)[O-])c4cnccc43)C2)CC1 ZINC000375867669 512545244 /nfs/dbraw/zinc/54/52/44/512545244.db2.gz DUKXHTOIBZQEEJ-MRXNPFEDSA-N 1 0 369.469 2.748 20 5 FFBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000375868799 512545701 /nfs/dbraw/zinc/54/57/01/512545701.db2.gz GXWOVWQCZMCERP-HOCLYGCPSA-N 1 0 354.410 2.881 20 5 FFBDRO O=[N+]([O-])c1ccn(C2CC[NH+](CCCOc3ccc4c(c3)OCO4)CC2)n1 ZINC000369682599 512552722 /nfs/dbraw/zinc/55/27/22/512552722.db2.gz FTXCEJODVPBING-UHFFFAOYSA-N 1 0 374.397 2.626 20 5 FFBDRO CCc1ccc([C@H](CO)[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000411511418 512669113 /nfs/dbraw/zinc/66/91/13/512669113.db2.gz PHAWTVKZOXOQCM-KRWDZBQOSA-N 1 0 357.410 2.809 20 5 FFBDRO CCc1n[nH]c(C(=O)NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000374164234 512687081 /nfs/dbraw/zinc/68/70/81/512687081.db2.gz RDZVXTPXTBMZGG-LJQANCHMSA-N 1 0 371.441 2.522 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)c1F ZINC000411606229 512715219 /nfs/dbraw/zinc/71/52/19/512715219.db2.gz QPIDEKGZICAASE-OLZOCXBDSA-N 1 0 367.421 2.522 20 5 FFBDRO CCN(C(=O)c1nn(C)cc1[N+](=O)[O-])[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000378406445 512743082 /nfs/dbraw/zinc/74/30/82/512743082.db2.gz UONIMWCDACWSTO-GOEBONIOSA-N 1 0 371.441 2.626 20 5 FFBDRO O=C(CC[NH2+][C@@]1(CO)CCCc2ccccc21)Nc1ccc([N+](=O)[O-])cc1 ZINC000411673551 512749985 /nfs/dbraw/zinc/74/99/85/512749985.db2.gz KYXRTACTEWADHA-HXUWFJFHSA-N 1 0 369.421 2.737 20 5 FFBDRO O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000368032895 512772886 /nfs/dbraw/zinc/77/28/86/512772886.db2.gz ADLHSWKJWOMPPX-ZDUSSCGKSA-N 1 0 369.368 2.897 20 5 FFBDRO CC(=O)c1ccc2c(c1)CC[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000374352147 512784387 /nfs/dbraw/zinc/78/43/87/512784387.db2.gz OJZXWVIEFMFCNH-FQEVSTJZSA-N 1 0 354.406 2.932 20 5 FFBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)C(F)(F)c3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000378500978 512792611 /nfs/dbraw/zinc/79/26/11/512792611.db2.gz YUDQABAYLNGUKL-SWLSCSKDSA-N 1 0 353.369 2.629 20 5 FFBDRO O=[N+]([O-])c1cn(C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)nc1C1CC1 ZINC000370278488 512856442 /nfs/dbraw/zinc/85/64/42/512856442.db2.gz GTPSTOXTCDDWOI-QGZVFWFLSA-N 1 0 356.426 2.960 20 5 FFBDRO CO[C@H]1c2ccccc2C[C@H]1[NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000411891020 512862731 /nfs/dbraw/zinc/86/27/31/512862731.db2.gz FZIDVFNUYNEFIB-OTWHNJEPSA-N 1 0 367.405 2.602 20 5 FFBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3Br)C[C@@H]21 ZINC000368254909 512867390 /nfs/dbraw/zinc/86/73/90/512867390.db2.gz QUADRAYZSZJKCF-DUFXMDAXSA-N 1 0 368.231 2.557 20 5 FFBDRO COc1cc(C[N@@H+]2CCC[C@H](c3ccnn3C)C2)c([N+](=O)[O-])cc1OC ZINC000372433766 512872344 /nfs/dbraw/zinc/87/23/44/512872344.db2.gz PAZQJAHRXABYBQ-ZDUSSCGKSA-N 1 0 360.414 2.725 20 5 FFBDRO CNc1ccc(C(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000388307935 512894129 /nfs/dbraw/zinc/89/41/29/512894129.db2.gz HPJZNZWTROOIEC-CQSZACIVSA-N 1 0 356.426 2.887 20 5 FFBDRO CCCN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000388502485 512896943 /nfs/dbraw/zinc/89/69/43/512896943.db2.gz NYQODEQWRDNQOT-UHFFFAOYSA-N 1 0 370.247 2.962 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@H](C[NH+](C)C)Oc2ccccc21 ZINC000370505423 512968267 /nfs/dbraw/zinc/96/82/67/512968267.db2.gz UAUPGJMAABVNGO-HNNXBMFYSA-N 1 0 355.394 2.873 20 5 FFBDRO C[C@H]1CCCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)[C@@H]1CC[NH3+] ZINC000404298737 512968361 /nfs/dbraw/zinc/96/83/61/512968361.db2.gz YMQANROSYOPJAR-IINYFYTJSA-N 1 0 370.247 2.947 20 5 FFBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000408012165 512983747 /nfs/dbraw/zinc/98/37/47/512983747.db2.gz BEYJMFWZEWDSFD-BZPMIXESSA-N 1 0 364.421 2.794 20 5 FFBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC000412357087 513052574 /nfs/dbraw/zinc/05/25/74/513052574.db2.gz DNNMXKFZVRMOKD-GFCCVEGCSA-N 1 0 355.410 2.522 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2C[C@@H]3CCCC[C@@]32c2ccccc2)c1 ZINC000370706823 513062774 /nfs/dbraw/zinc/06/27/74/513062774.db2.gz FVDFXYLXHBDWBE-QXAKKESOSA-N 1 0 356.426 2.554 20 5 FFBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000417730504 513184463 /nfs/dbraw/zinc/18/44/63/513184463.db2.gz QXXSVFQNQPOTKJ-IXDOHACOSA-N 1 0 360.458 2.605 20 5 FFBDRO CCn1cc([C@H]2OCCC[C@@H]2[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)cn1 ZINC000433926351 513188451 /nfs/dbraw/zinc/18/84/51/513188451.db2.gz KLXCUOVQSKZMSO-MAUKXSAKSA-N 1 0 360.414 2.830 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC000439888181 513205244 /nfs/dbraw/zinc/20/52/44/513205244.db2.gz NBDQLZCZLAPOSL-STQMWFEESA-N 1 0 350.419 2.940 20 5 FFBDRO C[NH+](C)CCn1c(=O)oc2ccc(NCc3ccc([N+](=O)[O-])cc3F)cc21 ZINC000421346481 513232016 /nfs/dbraw/zinc/23/20/16/513232016.db2.gz SZSLGDZXCFEQRZ-UHFFFAOYSA-N 1 0 374.372 2.816 20 5 FFBDRO C[C@H](NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000428966306 513236559 /nfs/dbraw/zinc/23/65/59/513236559.db2.gz KCJVORHZWGXPDQ-RYUDHWBXSA-N 1 0 355.822 2.521 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)cc1C ZINC000440077455 513241136 /nfs/dbraw/zinc/24/11/36/513241136.db2.gz LFWFUPGXMAVFSJ-IUODEOHRSA-N 1 0 369.487 2.610 20 5 FFBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H](C)C1 ZINC000429012247 513252750 /nfs/dbraw/zinc/25/27/50/513252750.db2.gz SVAROROQNREWGK-CPUCHLNUSA-N 1 0 371.441 2.807 20 5 FFBDRO COc1cc(CN2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000429039209 513264415 /nfs/dbraw/zinc/26/44/15/513264415.db2.gz HIZBCVVEPVTHON-XJKCOSOUSA-N 1 0 351.422 2.905 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000415499656 513294731 /nfs/dbraw/zinc/29/47/31/513294731.db2.gz KFNSALXSLPMZDE-INIZCTEOSA-N 1 0 356.382 2.612 20 5 FFBDRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000415506878 513299852 /nfs/dbraw/zinc/29/98/52/513299852.db2.gz SGUPGQOAHGJTQT-HNNXBMFYSA-N 1 0 358.398 2.987 20 5 FFBDRO C[C@@H]([NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1cccc(O)c1 ZINC000429315967 513337827 /nfs/dbraw/zinc/33/78/27/513337827.db2.gz KOEGOMCOEKEDDW-GFCCVEGCSA-N 1 0 357.366 2.949 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCCC[NH2+]Cc1cccnc1 ZINC000415583196 513337967 /nfs/dbraw/zinc/33/79/67/513337967.db2.gz QNABRFFTVAQWHJ-UHFFFAOYSA-N 1 0 357.414 2.908 20 5 FFBDRO CCCN(C(=O)Nc1cc([N+](=O)[O-])ccc1OCC)C1CC[NH2+]CC1 ZINC000415650550 513362214 /nfs/dbraw/zinc/36/22/14/513362214.db2.gz FPCBAYZIXPANEU-UHFFFAOYSA-N 1 0 350.419 2.989 20 5 FFBDRO Cc1cc(N[C@H]2CCO[C@H](c3ccnn3C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000450844728 513365862 /nfs/dbraw/zinc/36/58/62/513365862.db2.gz QAHJASQXPMQDNJ-DJJJIMSYSA-N 1 0 367.409 2.939 20 5 FFBDRO Cc1c(NC(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC000415657310 513366167 /nfs/dbraw/zinc/36/61/67/513366167.db2.gz METXAYBVIOBWQK-WCBMZHEXSA-N 1 0 371.235 2.867 20 5 FFBDRO O=C(NCC[C@H]1CCC[NH2+]C1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000418088081 513367825 /nfs/dbraw/zinc/36/78/25/513367825.db2.gz JFGNAMUHYFZQLB-LLVKDONJSA-N 1 0 374.363 2.803 20 5 FFBDRO CC(C)C[C@H](C[NH3+])NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000418091609 513369009 /nfs/dbraw/zinc/36/90/09/513369009.db2.gz QAIKQOQZWNVMIU-GFCCVEGCSA-N 1 0 362.352 2.786 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N(C)C[C@@H]3CCC[N@@H+]3C)cc2[N+](=O)[O-])CC1 ZINC000421699282 513374196 /nfs/dbraw/zinc/37/41/96/513374196.db2.gz AWKCRSPEHXOKGQ-KRWDZBQOSA-N 1 0 374.485 2.997 20 5 FFBDRO C[C@H]1CCCN(c2ccc(C(=O)N(C)C[C@H]3CCC[N@@H+]3C)cc2[N+](=O)[O-])C1 ZINC000421706635 513378832 /nfs/dbraw/zinc/37/88/32/513378832.db2.gz VINZUDIPRDGDCW-DOTOQJQBSA-N 1 0 374.485 2.997 20 5 FFBDRO C[C@@H]1CN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000415699767 513386943 /nfs/dbraw/zinc/38/69/43/513386943.db2.gz KFURENKLJLZFEO-PRHODGIISA-N 1 0 357.208 2.558 20 5 FFBDRO CCC(CC)(CC(=O)OC)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000440887129 513429173 /nfs/dbraw/zinc/42/91/73/513429173.db2.gz LBJYVMPIDIDGSM-UHFFFAOYSA-N 1 0 371.821 2.898 20 5 FFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](c2ccnc(N)n2)C1 ZINC000429723305 513452010 /nfs/dbraw/zinc/45/20/10/513452010.db2.gz JUPRJYHZNJAMIZ-AWEZNQCLSA-N 1 0 371.441 2.964 20 5 FFBDRO CC(C)n1c(Sc2ncc([N+](=O)[O-])cc2F)nnc1[C@H]1CCC[NH2+]C1 ZINC000413152552 513485610 /nfs/dbraw/zinc/48/56/10/513485610.db2.gz ZUNBPVSQWXRHCG-JTQLQIEISA-N 1 0 366.422 2.920 20 5 FFBDRO CCn1nc(C)c([N+](=O)[O-])c1N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425270887 513486206 /nfs/dbraw/zinc/48/62/06/513486206.db2.gz BFBXHAGNZQXNBU-DLBZAZTESA-N 1 0 355.442 2.830 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@H]2COc3ccccc3O2)n1 ZINC000447511747 513492838 /nfs/dbraw/zinc/49/28/38/513492838.db2.gz NGUZWRWAOBHPRV-RRFJBIMHSA-N 1 0 358.398 2.705 20 5 FFBDRO NC(=O)Nc1ccc(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000447535692 513500793 /nfs/dbraw/zinc/50/07/93/513500793.db2.gz HTBVADQJVXVAMS-GJZGRUSLSA-N 1 0 358.402 2.555 20 5 FFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]Cc2cccc(-n3cncn3)c2)n1 ZINC000447541137 513501845 /nfs/dbraw/zinc/50/18/45/513501845.db2.gz LOONWPNDXSHWMC-SJORKVTESA-N 1 0 367.413 2.646 20 5 FFBDRO C[C@H](NC(=O)Nc1ccc2c(c1)C[NH2+]CCO2)c1ccc([N+](=O)[O-])cc1 ZINC000415975991 513512251 /nfs/dbraw/zinc/51/22/51/513512251.db2.gz QLDZWJTUAZCVFO-LBPRGKRZSA-N 1 0 356.382 2.960 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCOc2ccc(Cl)cn2)n1 ZINC000447589594 513517084 /nfs/dbraw/zinc/51/70/84/513517084.db2.gz YLCDAXXNZWXFLP-ZIAGYGMSSA-N 1 0 365.821 2.992 20 5 FFBDRO Cc1ccc(C[C@H](CO)[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000447597642 513518671 /nfs/dbraw/zinc/51/86/71/513518671.db2.gz SWRMRGPKEYWYHF-KURKYZTESA-N 1 0 358.442 2.777 20 5 FFBDRO C[C@H]1CN(c2ccc([N+](=O)[O-])c3ncccc23)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000413211156 513523682 /nfs/dbraw/zinc/52/36/82/513523682.db2.gz HMEPURXIFSMFOW-DOTOQJQBSA-N 1 0 369.469 2.605 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCC[N@H+]2CC=C(C(C)(C)C)CC2)n1 ZINC000413278388 513564807 /nfs/dbraw/zinc/56/48/07/513564807.db2.gz HPMSZSMGECUACM-UHFFFAOYSA-N 1 0 362.430 2.867 20 5 FFBDRO O=C1CC[C@H]([NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])C2(CCC2)N1 ZINC000425449552 513571610 /nfs/dbraw/zinc/57/16/10/513571610.db2.gz XDLMYPYXYYOLBH-ZDUSSCGKSA-N 1 0 368.231 2.648 20 5 FFBDRO O=C(c1cc([N+](=O)[O-])c[nH]1)N(Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435558430 513618485 /nfs/dbraw/zinc/61/84/85/513618485.db2.gz FJCFAAJFVINNDR-HNNXBMFYSA-N 1 0 360.439 2.769 20 5 FFBDRO COc1ccc(CNC(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)cc1[N+](=O)[O-] ZINC000447982647 513647785 /nfs/dbraw/zinc/64/77/85/513647785.db2.gz MFBVENCTYWPXNS-INIZCTEOSA-N 1 0 364.446 2.523 20 5 FFBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000451339619 513685913 /nfs/dbraw/zinc/68/59/13/513685913.db2.gz ILTBNIWGSFOVTH-BNEJOLLZSA-N 1 0 361.442 2.937 20 5 FFBDRO O=C(CC[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O)Nc1ccccc1[N+](=O)[O-] ZINC000451340828 513686260 /nfs/dbraw/zinc/68/62/60/513686260.db2.gz KJIZTYLGQCPKFA-LESCRADOSA-N 1 0 361.442 2.939 20 5 FFBDRO O=C(CC[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O)Nc1ccc([N+](=O)[O-])cc1 ZINC000451341706 513688692 /nfs/dbraw/zinc/68/86/92/513688692.db2.gz LLBIFZGBWJZHNF-RCCFBDPRSA-N 1 0 361.442 2.939 20 5 FFBDRO CN(C(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000451347708 513693122 /nfs/dbraw/zinc/69/31/22/513693122.db2.gz UPPXXMMJHIFWJK-RCCFBDPRSA-N 1 0 361.442 2.573 20 5 FFBDRO C[C@@]12C[N@H+](CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000451368985 513705603 /nfs/dbraw/zinc/70/56/03/513705603.db2.gz MWBIIQUWVYFOMS-JJUQKUTHSA-N 1 0 353.422 2.628 20 5 FFBDRO COc1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)ccc1OCC[NH+](C)C ZINC000416346613 513725168 /nfs/dbraw/zinc/72/51/68/513725168.db2.gz ZIOGDENKZOENAU-UHFFFAOYSA-N 1 0 373.409 2.725 20 5 FFBDRO CC[N@@H+]1CC[C@H](CNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000436072863 513751958 /nfs/dbraw/zinc/75/19/58/513751958.db2.gz CRKQESBMFHDJOB-CYBMUJFWSA-N 1 0 367.424 2.892 20 5 FFBDRO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000430824353 513759095 /nfs/dbraw/zinc/75/90/95/513759095.db2.gz WKUZRPNBHDXGQU-MAUKXSAKSA-N 1 0 363.458 2.990 20 5 FFBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@@H]1Cc1cc(F)ccc1F ZINC000419305572 513769265 /nfs/dbraw/zinc/76/92/65/513769265.db2.gz XEISSUQXQVLSBK-OAHLLOKOSA-N 1 0 363.364 2.742 20 5 FFBDRO CC1(C)[C@H]([NH2+]CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])[C@H]2CCCO[C@@H]21 ZINC000451478244 513775216 /nfs/dbraw/zinc/77/52/16/513775216.db2.gz JROZBAWRSFZSDS-LYRGGWFBSA-N 1 0 367.833 2.980 20 5 FFBDRO CO[C@]1(C)C[C@H]([NH2+]CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1(C)C ZINC000451483451 513779623 /nfs/dbraw/zinc/77/96/23/513779623.db2.gz FCRUNOBTXYMCNJ-XJKSGUPXSA-N 1 0 355.822 2.980 20 5 FFBDRO O=C1CCN1c1cccc(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000442827178 513789298 /nfs/dbraw/zinc/78/92/98/513789298.db2.gz YRIUANKKLYPLFN-IAGOWNOFSA-N 1 0 369.425 2.802 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H]1C[C@@](C)(OC)C1(C)C ZINC000451502352 513792581 /nfs/dbraw/zinc/79/25/81/513792581.db2.gz ZQZJBBHONYOWDV-MAUKXSAKSA-N 1 0 365.430 2.725 20 5 FFBDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000448590721 513797903 /nfs/dbraw/zinc/79/79/03/513797903.db2.gz DLYUMVATVORGGK-HNNXBMFYSA-N 1 0 361.442 2.938 20 5 FFBDRO CC1CC[NH+](CCCNC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CC1 ZINC000448596724 513799733 /nfs/dbraw/zinc/79/97/33/513799733.db2.gz HHAOABDHWBRABB-UHFFFAOYSA-N 1 0 371.441 2.632 20 5 FFBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CC[NH2+]CC12CCCCC2 ZINC000431069462 513818366 /nfs/dbraw/zinc/81/83/66/513818366.db2.gz LXPVUJUUYGOLTG-UHFFFAOYSA-N 1 0 374.441 2.501 20 5 FFBDRO CC(C)[C@@H](CO)[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000451599241 513857790 /nfs/dbraw/zinc/85/77/90/513857790.db2.gz PVDHJPVVKQGUAG-IAOVAPTHSA-N 1 0 351.447 2.801 20 5 FFBDRO CCC[NH+]1CCC(N(C)C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CC1 ZINC000448769626 513890178 /nfs/dbraw/zinc/89/01/78/513890178.db2.gz HQYGVURBAHGMHW-UHFFFAOYSA-N 1 0 371.441 2.727 20 5 FFBDRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000413966166 513906429 /nfs/dbraw/zinc/90/64/29/513906429.db2.gz YQRCOHXOPKPQNL-UHFFFAOYSA-N 1 0 373.409 2.725 20 5 FFBDRO CCC[NH+]1CCC(CNC(=O)c2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC000448843616 513927151 /nfs/dbraw/zinc/92/71/51/513927151.db2.gz JNRJZHYBFYFLBL-UHFFFAOYSA-N 1 0 353.394 2.594 20 5 FFBDRO CCC[C@H](O)[C@H](CO)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000419809127 513937423 /nfs/dbraw/zinc/93/74/23/513937423.db2.gz GIUCLCWENBYEOX-HOCLYGCPSA-N 1 0 350.440 2.935 20 5 FFBDRO Cc1cc(OCC(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000431831633 514013371 /nfs/dbraw/zinc/01/33/71/514013371.db2.gz HGOPVDVMCXYVPX-LIRRHRJNSA-N 1 0 363.458 2.909 20 5 FFBDRO CCc1cc(N2CC[C@H]3C[NH2+]C[C@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000420253129 514061769 /nfs/dbraw/zinc/06/17/69/514061769.db2.gz DBHXYXACFOLGRN-GJZGRUSLSA-N 1 0 353.426 2.660 20 5 FFBDRO O=C(c1ccccc1)c1ccc(N2CC[C@@H]3C[NH2+]C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000420259926 514063102 /nfs/dbraw/zinc/06/31/02/514063102.db2.gz NCSPFDNWPJTBGY-IAGOWNOFSA-N 1 0 351.406 2.872 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCS(=O)(=O)c1ccccc1 ZINC000449108997 514075204 /nfs/dbraw/zinc/07/52/04/514075204.db2.gz WQIBXXBXCBBHSN-HNNXBMFYSA-N 1 0 362.451 2.979 20 5 FFBDRO Cc1ccc(NCCCNC(=O)[C@H]([NH3+])c2ccccc2C)c([N+](=O)[O-])c1 ZINC000449130717 514086045 /nfs/dbraw/zinc/08/60/45/514086045.db2.gz HNOPTROGIMTBJS-GOSISDBHSA-N 1 0 356.426 2.830 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H](Nc1ccc(N3CC[NH2+]CC3)cn1)CCC2 ZINC000423236183 514088561 /nfs/dbraw/zinc/08/85/61/514088561.db2.gz RTFMTQKQHPAXBS-GOSISDBHSA-N 1 0 353.426 2.889 20 5 FFBDRO C[C@@H](C[NH2+]CCc1ccccc1[N+](=O)[O-])c1ccc(S(C)(=O)=O)cc1 ZINC000449168388 514099193 /nfs/dbraw/zinc/09/91/93/514099193.db2.gz MIRDKZTWYPWZKF-AWEZNQCLSA-N 1 0 362.451 2.934 20 5 FFBDRO COc1cc(CN2CC[C@H](C)C[C@@H]2C[NH3+])c([N+](=O)[O-])cc1OC(F)F ZINC000420343824 514103216 /nfs/dbraw/zinc/10/32/16/514103216.db2.gz RSOUCRSPGAIULM-CMPLNLGQSA-N 1 0 359.373 2.764 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2noc(CN3CCCC[C@@H]3[C@H]3CC[NH2+]C3)n2)cc1 ZINC000420390998 514126925 /nfs/dbraw/zinc/12/69/25/514126925.db2.gz IFMFNOSGOWPUJT-GOEBONIOSA-N 1 0 357.414 2.609 20 5 FFBDRO Cn1ccnc1[C@H](NC[C@H]1[NH2+]CCCC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000423392854 514127055 /nfs/dbraw/zinc/12/70/55/514127055.db2.gz QUWJQURYWVHMJK-IAGOWNOFSA-N 1 0 357.458 2.786 20 5 FFBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437345547 514144917 /nfs/dbraw/zinc/14/49/17/514144917.db2.gz LEJYLWNQWNBMQR-OTYXRUKQSA-N 1 0 357.332 2.826 20 5 FFBDRO CCO[C@@H]1CCCC[C@H]1[NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000452033486 514148448 /nfs/dbraw/zinc/14/84/48/514148448.db2.gz GQGPIICJFXBIKM-GDBMZVCRSA-N 1 0 363.414 2.830 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC(=O)N[C@@H]1CCOc2ccccc21 ZINC000449305981 514157044 /nfs/dbraw/zinc/15/70/44/514157044.db2.gz JBECIFXDKQIJDN-RHSMWYFYSA-N 1 0 369.421 2.755 20 5 FFBDRO C[C@]1(CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CCC[NH2+]C1 ZINC000423523316 514160707 /nfs/dbraw/zinc/16/07/07/514160707.db2.gz NGXGNZGXABNXII-HNNXBMFYSA-N 1 0 357.863 2.846 20 5 FFBDRO CC[N@H+](CCNC(=O)c1ccc([N+](=O)[O-])cc1F)CCC(F)(F)F ZINC000427255474 514163336 /nfs/dbraw/zinc/16/33/36/514163336.db2.gz GCGNRLNCDOBSIE-UHFFFAOYSA-N 1 0 351.300 2.738 20 5 FFBDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000423597241 514178499 /nfs/dbraw/zinc/17/84/99/514178499.db2.gz UBFNRXDWQCYUOU-BDJLRTHQSA-N 1 0 353.397 2.548 20 5 FFBDRO C[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@@H]1CCN2CCO[C@H]1C2 ZINC000449362662 514181279 /nfs/dbraw/zinc/18/12/79/514181279.db2.gz LPAIQKKUXYOXHM-MJGOQNOKSA-N 1 0 357.410 2.760 20 5 FFBDRO CC1CC[NH+](C[C@H](O)CNc2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000427388844 514201458 /nfs/dbraw/zinc/20/14/58/514201458.db2.gz CDDKOXXAXZVKGJ-CYBMUJFWSA-N 1 0 359.373 2.701 20 5 FFBDRO CC1(C)C[NH2+]CC[C@H]1NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000423737995 514214725 /nfs/dbraw/zinc/21/47/25/514214725.db2.gz GQDUCSVEDRYRCN-CYBMUJFWSA-N 1 0 357.863 2.845 20 5 FFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC1(CF)CCOCC1 ZINC000449489085 514228286 /nfs/dbraw/zinc/22/82/86/514228286.db2.gz ODLMSKFLVFOPQQ-ZDUSSCGKSA-N 1 0 353.394 2.668 20 5 FFBDRO COc1cc(C[NH2+][C@H](C(C)C)[C@@H](CO)C(C)C)c([N+](=O)[O-])cc1OC ZINC000449515515 514235353 /nfs/dbraw/zinc/23/53/53/514235353.db2.gz ZVFRAPRTQRMDEH-KBXCAEBGSA-N 1 0 354.447 2.991 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCO[C@H](c2ccnn2C)C1 ZINC000449582364 514263739 /nfs/dbraw/zinc/26/37/39/514263739.db2.gz FVXMNLUEXQHNTH-KSSFIOAISA-N 1 0 360.414 2.737 20 5 FFBDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000427617118 514266031 /nfs/dbraw/zinc/26/60/31/514266031.db2.gz CXORUZKFABCJFD-KBXCAEBGSA-N 1 0 368.437 2.935 20 5 FFBDRO [NH3+][C@H]1CCC[C@H](CNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000449641003 514276699 /nfs/dbraw/zinc/27/66/99/514276699.db2.gz CGVQCTUVCPLQHQ-AAEUAGOBSA-N 1 0 360.439 2.966 20 5 FFBDRO CCS(=O)(=O)N(C)CCC[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417323823 514294727 /nfs/dbraw/zinc/29/47/27/514294727.db2.gz PFCWDAMUNFEUSP-KRWDZBQOSA-N 1 0 369.487 2.624 20 5 FFBDRO CCc1ccccc1[C@H]([NH3+])CNC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000423938216 514296603 /nfs/dbraw/zinc/29/66/03/514296603.db2.gz ISNXLOHYCUIJCU-MRXNPFEDSA-N 1 0 357.410 2.904 20 5 FFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCN1CCO[C@H](CC)C1 ZINC000427735190 514297772 /nfs/dbraw/zinc/29/77/72/514297772.db2.gz IBUSTPMUTDLWLS-CQSZACIVSA-N 1 0 367.471 2.547 20 5 FFBDRO CCCc1n[nH]c(C(=O)N[C@@H](CC(C)C)C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000452347298 514299502 /nfs/dbraw/zinc/29/95/02/514299502.db2.gz ZJOWPZCVIQIOLG-ZDUSSCGKSA-N 1 0 351.451 2.511 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCCCS1(=O)=O)CCCC2 ZINC000417343125 514304114 /nfs/dbraw/zinc/30/41/14/514304114.db2.gz NXLPUVRKWWLWJK-WBVHZDCISA-N 1 0 352.456 2.919 20 5 FFBDRO C[C@H]1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000423990524 514325348 /nfs/dbraw/zinc/32/53/48/514325348.db2.gz CMLJEZODYWFPTE-WDEREUQCSA-N 1 0 357.863 2.784 20 5 FFBDRO COc1ccc(CN[C@H]2CC[NH2+]C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000414864025 514328693 /nfs/dbraw/zinc/32/86/93/514328693.db2.gz BGTCRKBTPVFRGX-INIZCTEOSA-N 1 0 357.410 2.634 20 5 FFBDRO C[C@H]1CCCN(c2ccc(C(=O)N[C@H]3CC[NH2+]C3(C)C)cc2[N+](=O)[O-])C1 ZINC000449745436 514330682 /nfs/dbraw/zinc/33/06/82/514330682.db2.gz BYAXMRUQPAKQLE-GUYCJALGSA-N 1 0 360.458 2.701 20 5 FFBDRO [NH3+][C@H]1CCO[C@H](C2CCN(C(=O)c3c(Cl)cccc3[N+](=O)[O-])CC2)C1 ZINC000424003847 514333257 /nfs/dbraw/zinc/33/32/57/514333257.db2.gz AAJYMLVJQXBBKY-WFASDCNBSA-N 1 0 367.833 2.607 20 5 FFBDRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414948213 514371379 /nfs/dbraw/zinc/37/13/79/514371379.db2.gz LWDYSQKJTMLLEX-MWLCHTKSSA-N 1 0 358.345 2.835 20 5 FFBDRO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC2(C1)CC[NH2+]CC2 ZINC000414958246 514376557 /nfs/dbraw/zinc/37/65/57/514376557.db2.gz WLSTUTSPAYWNDL-UHFFFAOYSA-N 1 0 370.356 2.804 20 5 FFBDRO CN(Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)C[C@@H](O)C[NH3+] ZINC000415070957 514429543 /nfs/dbraw/zinc/42/95/43/514429543.db2.gz RUYBDEHTFITUPM-ZDUSSCGKSA-N 1 0 365.817 2.792 20 5 FFBDRO COC1([C@@H](C)[NH2+]Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CCOCC1 ZINC000421033386 514449329 /nfs/dbraw/zinc/44/93/29/514449329.db2.gz MTMMHNCDQMUEOF-CYBMUJFWSA-N 1 0 361.398 2.924 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc(C[N@@H+]2CC[C@H](O)C2)c1 ZINC000428530324 514490594 /nfs/dbraw/zinc/49/05/94/514490594.db2.gz CXBRPQVUBAMUOD-INIZCTEOSA-N 1 0 355.394 2.722 20 5 FFBDRO Cn1cnc([N+](=O)[O-])c1-c1noc([C@@H]2CCCN2Cc2ccc(F)cc2)n1 ZINC000445570098 514494180 /nfs/dbraw/zinc/49/41/80/514494180.db2.gz CXRHMPIILJEDLE-ZDUSSCGKSA-N 1 0 372.360 2.855 20 5 FFBDRO C[N@H+](CC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)[C@H]1CCSC1 ZINC000452863721 514523529 /nfs/dbraw/zinc/52/35/29/514523529.db2.gz VXOXRWBQHVYDDD-RDJZCZTQSA-N 1 0 363.483 2.738 20 5 FFBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000502347706 514620729 /nfs/dbraw/zinc/62/07/29/514620729.db2.gz HIGHBORKFCGCLJ-CYBMUJFWSA-N 1 0 350.419 2.989 20 5 FFBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000502347707 514621537 /nfs/dbraw/zinc/62/15/37/514621537.db2.gz HIGHBORKFCGCLJ-ZDUSSCGKSA-N 1 0 350.419 2.989 20 5 FFBDRO COc1cccc(N(C)CC[NH+]2CCN(c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000475506487 514694723 /nfs/dbraw/zinc/69/47/23/514694723.db2.gz ACGBDJOZLRDXKY-UHFFFAOYSA-N 1 0 370.453 2.862 20 5 FFBDRO CCOc1cc(N2CC[NH+](C[C@@H]3CCO[C@H](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000475513905 514697993 /nfs/dbraw/zinc/69/79/93/514697993.db2.gz VWGZLEIXQJSSRF-HZPDHXFCSA-N 1 0 363.458 2.931 20 5 FFBDRO COc1cc(CN2C[C@@H]([NH+]3CCCC3)[C@@H](SC)C2)ccc1[N+](=O)[O-] ZINC000484612428 514709460 /nfs/dbraw/zinc/70/94/60/514709460.db2.gz DMLACOMYXOKYHB-WBVHZDCISA-N 1 0 351.472 2.615 20 5 FFBDRO COc1cc(C[N@H+](C)C[C@@H](O)COCc2ccccc2)ccc1[N+](=O)[O-] ZINC000489102137 514711099 /nfs/dbraw/zinc/71/10/99/514711099.db2.gz HLAFONPKVSZNIQ-QGZVFWFLSA-N 1 0 360.410 2.613 20 5 FFBDRO C[C@H](NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C(C)(C)C[NH+](C)C ZINC000479763393 514715311 /nfs/dbraw/zinc/71/53/11/514715311.db2.gz PCRVLYBPQYGJCN-ZDUSSCGKSA-N 1 0 373.457 2.701 20 5 FFBDRO COc1cc(C[NH+]2CCC(C(=O)N[C@H](C)C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000489136213 514725786 /nfs/dbraw/zinc/72/57/86/514725786.db2.gz IGRDCQMOSNTWDI-CQSZACIVSA-N 1 0 363.458 2.976 20 5 FFBDRO CCCC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000502711011 514748326 /nfs/dbraw/zinc/74/83/26/514748326.db2.gz GVMVDPQYRQVQNA-MRXNPFEDSA-N 1 0 369.487 2.836 20 5 FFBDRO COCC[N@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@@H]1CC[C@H](C)C1 ZINC000484884018 514828924 /nfs/dbraw/zinc/82/89/24/514828924.db2.gz MFKGSIKYFNHTIO-UONOGXRCSA-N 1 0 365.430 2.679 20 5 FFBDRO C[NH+](C)CCc1ccc(CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000466977635 514847699 /nfs/dbraw/zinc/84/76/99/514847699.db2.gz TURPVDHZAJLOKW-UHFFFAOYSA-N 1 0 370.453 2.741 20 5 FFBDRO CC[NH+](CC)[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)CC(C)C ZINC000498454619 514912387 /nfs/dbraw/zinc/91/23/87/514912387.db2.gz OKRBBQZMFFHHJF-CYBMUJFWSA-N 1 0 354.426 2.802 20 5 FFBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2Br)C1 ZINC000485148575 514935971 /nfs/dbraw/zinc/93/59/71/514935971.db2.gz FBIPPBIWZKPDRM-LBPRGKRZSA-N 1 0 369.263 2.920 20 5 FFBDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000471582616 514939425 /nfs/dbraw/zinc/93/94/25/514939425.db2.gz YBHLXWXPRDJBDL-CQSZACIVSA-N 1 0 369.849 2.821 20 5 FFBDRO Cc1ccc(C[C@@H](CO)[NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000467358451 514987408 /nfs/dbraw/zinc/98/74/08/514987408.db2.gz ODRUUVWVJDWCFC-YJBOKZPZSA-N 1 0 371.437 2.814 20 5 FFBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000485348544 515004888 /nfs/dbraw/zinc/00/48/88/515004888.db2.gz LPGCGDDFLAVHEF-QWHCGFSZSA-N 1 0 367.471 2.546 20 5 FFBDRO C[C@H](CC[NH+](C)C)NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000498653187 515011514 /nfs/dbraw/zinc/01/15/14/515011514.db2.gz FAXZAPGKYQZQRQ-OAHLLOKOSA-N 1 0 362.474 2.901 20 5 FFBDRO COc1cc(C[NH2+][C@H]2CC[C@@H](OC)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000471796197 515014201 /nfs/dbraw/zinc/01/42/01/515014201.db2.gz CQGWVTAACZNJER-NWDGAFQWSA-N 1 0 360.357 2.904 20 5 FFBDRO C[C@H]1C[C@@H]([NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC(C)(C)C1 ZINC000462367406 515016680 /nfs/dbraw/zinc/01/66/80/515016680.db2.gz LSYNQJGXAJEAET-UONOGXRCSA-N 1 0 369.487 2.678 20 5 FFBDRO CCC[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@H](C)C(=O)Nc1ccccc1C ZINC000490063893 515086267 /nfs/dbraw/zinc/08/62/67/515086267.db2.gz OVYJHGJJQVLWER-OAHLLOKOSA-N 1 0 359.430 2.839 20 5 FFBDRO Cc1ccc(S(=O)(=O)NCCC[NH+](C(C)C)C(C)C)cc1[N+](=O)[O-] ZINC000467781919 515116488 /nfs/dbraw/zinc/11/64/88/515116488.db2.gz HAEPPFDTQVRCEF-UHFFFAOYSA-N 1 0 357.476 2.690 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CC[C@H](c3ccccc3F)C2)c1 ZINC000503702943 515125179 /nfs/dbraw/zinc/12/51/79/515125179.db2.gz RSFSGNRUTIFDBE-HOCLYGCPSA-N 1 0 360.385 2.963 20 5 FFBDRO CC[C@H]1C[N@H+](CC)CCN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000456368918 515134716 /nfs/dbraw/zinc/13/47/16/515134716.db2.gz FPOOEKADFBPYNT-NSHDSACASA-N 1 0 370.247 2.914 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)c1C ZINC000480926157 515137786 /nfs/dbraw/zinc/13/77/86/515137786.db2.gz KNHXXMMNIVDQFS-KBPBESRZSA-N 1 0 369.487 2.753 20 5 FFBDRO COc1cc(C[NH+]2CCC(CC(=O)N3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000485711480 515154454 /nfs/dbraw/zinc/15/44/54/515154454.db2.gz VQUYSLFHBNCHHD-UHFFFAOYSA-N 1 0 361.442 2.828 20 5 FFBDRO COc1c(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000476696898 515162558 /nfs/dbraw/zinc/16/25/58/515162558.db2.gz VVZAFWUDJXDZOG-RHSMWYFYSA-N 1 0 369.421 2.854 20 5 FFBDRO O=[N+]([O-])c1ccc(C[NH2+]CCc2nnnn2-c2ccccc2)c(Cl)c1 ZINC000509427991 515173638 /nfs/dbraw/zinc/17/36/38/515173638.db2.gz BYZIJEBFZXNUTH-UHFFFAOYSA-N 1 0 358.789 2.556 20 5 FFBDRO C[C@H]1C[C@H]([NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC(C)(C)C1 ZINC000462747205 515220321 /nfs/dbraw/zinc/22/03/21/515220321.db2.gz WAYUDUDCSKJKJI-KBPBESRZSA-N 1 0 369.487 2.678 20 5 FFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H]([NH+](C)C)[C@@H](SC)C1 ZINC000462768683 515232480 /nfs/dbraw/zinc/23/24/80/515232480.db2.gz QJMOFZDPLLLEKH-OIISXLGYSA-N 1 0 365.499 2.668 20 5 FFBDRO CCc1cc(N[C@H]2CC[N@H+](C)[C@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000462885087 515281201 /nfs/dbraw/zinc/28/12/01/515281201.db2.gz TWJLISKVLYLTLJ-CJNGLKHVSA-N 1 0 355.442 2.931 20 5 FFBDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000472491304 515290116 /nfs/dbraw/zinc/29/01/16/515290116.db2.gz AVLRDZJBODVPCI-QWHZDKJVSA-N 1 0 370.453 2.820 20 5 FFBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000499658234 515402502 /nfs/dbraw/zinc/40/25/02/515402502.db2.gz LNSWZOGIJCSXPH-INIZCTEOSA-N 1 0 358.442 2.930 20 5 FFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCCN1CCC[C@@H]1C(=O)N(C)C ZINC000468643169 515450038 /nfs/dbraw/zinc/45/00/38/515450038.db2.gz OHZACYOTRQUFAH-NRMGUKERSA-N 1 0 374.485 2.530 20 5 FFBDRO COc1ccc(CNC(=O)C[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)cc1 ZINC000468643870 515450649 /nfs/dbraw/zinc/45/06/49/515450649.db2.gz VDKJEQFGJZLFRY-GDNBJRDFSA-N 1 0 369.421 2.913 20 5 FFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CCCN(c2cnn(C)c2)C1 ZINC000468651554 515454467 /nfs/dbraw/zinc/45/44/67/515454467.db2.gz ZXWSFLVXCLVUOK-FVLHSZHDSA-N 1 0 355.442 2.990 20 5 FFBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000468695376 515474790 /nfs/dbraw/zinc/47/47/90/515474790.db2.gz SFIGHURGNOPWPS-HIFRSBDPSA-N 1 0 354.410 2.742 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000486432423 515480484 /nfs/dbraw/zinc/48/04/84/515480484.db2.gz YMPWEQWAMFSYPK-VXGBXAGGSA-N 1 0 355.385 2.747 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000486432419 515480567 /nfs/dbraw/zinc/48/05/67/515480567.db2.gz YMPWEQWAMFSYPK-RYUDHWBXSA-N 1 0 355.385 2.747 20 5 FFBDRO CC[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)[N@@H+]1CCc2ccccc2C1 ZINC000468729509 515489666 /nfs/dbraw/zinc/48/96/66/515489666.db2.gz PGLKMYOQGGDMEO-INIZCTEOSA-N 1 0 368.437 2.744 20 5 FFBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000486608089 515559622 /nfs/dbraw/zinc/55/96/22/515559622.db2.gz VNKPANWJUVHVIL-GFCCVEGCSA-N 1 0 355.385 2.606 20 5 FFBDRO C[C@H]([NH2+]Cc1ccc([C@@]2(C)NC(=O)NC2=O)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000482073735 515566857 /nfs/dbraw/zinc/56/68/57/515566857.db2.gz GNZYDGPAIGQGET-HXPMCKFVSA-N 1 0 368.393 2.500 20 5 FFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCO[C@@H]1c1cccnc1 ZINC000492876408 515573349 /nfs/dbraw/zinc/57/33/49/515573349.db2.gz QHTAQFUKPHQPCI-XVGQJIODSA-N 1 0 370.409 2.827 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CCc2cccc(Cl)c2)cc1 ZINC000459478072 515580633 /nfs/dbraw/zinc/58/06/33/515580633.db2.gz HCVWGTXXNXOJJW-UHFFFAOYSA-N 1 0 368.842 2.854 20 5 FFBDRO O=C(NCc1ccccc1C[NH+]1CCCC1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000468982411 515613230 /nfs/dbraw/zinc/61/32/30/515613230.db2.gz NPJFNSZWFQPJGD-UHFFFAOYSA-N 1 0 355.394 2.826 20 5 FFBDRO CC1(C)CCC[N@@H+]1CCNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000457064436 515620095 /nfs/dbraw/zinc/62/00/95/515620095.db2.gz WMZCTGMJKHBOTK-UHFFFAOYSA-N 1 0 357.357 2.800 20 5 FFBDRO CC1(C)CCC[N@@H+]1CCNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000457074197 515629163 /nfs/dbraw/zinc/62/91/63/515629163.db2.gz LQBCUFAAMXCYSR-UHFFFAOYSA-N 1 0 360.458 2.799 20 5 FFBDRO COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000493443511 515633711 /nfs/dbraw/zinc/63/37/11/515633711.db2.gz SONUSNUPBNTFTP-QWHCGFSZSA-N 1 0 369.849 2.611 20 5 FFBDRO COc1cc[nH+]c(N2CCN(c3nc4ccccc4cc3[N+](=O)[O-])CC2)c1 ZINC000473506039 515638124 /nfs/dbraw/zinc/63/81/24/515638124.db2.gz DKWOLHMHAOAGEP-UHFFFAOYSA-N 1 0 365.393 2.873 20 5 FFBDRO COc1cc(CN[C@H]2CC[N@H+](C)[C@@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000493707242 515658671 /nfs/dbraw/zinc/65/86/71/515658671.db2.gz OACIBGFAHWKVOP-AAEUAGOBSA-N 1 0 373.400 2.820 20 5 FFBDRO O=[N+]([O-])c1ccn(CCN2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)n1 ZINC000478037376 515675723 /nfs/dbraw/zinc/67/57/23/515675723.db2.gz PQYZSWYADXDWNJ-HXUWFJFHSA-N 1 0 369.469 2.779 20 5 FFBDRO COc1ccc(NC(=O)C[NH2+][C@H](C)CCCc2cccnc2)c([N+](=O)[O-])c1 ZINC000459643879 515717023 /nfs/dbraw/zinc/71/70/23/515717023.db2.gz OUHIXAJWIWTXNY-CQSZACIVSA-N 1 0 372.425 2.938 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)CCCc1cccnc1 ZINC000459651108 515721975 /nfs/dbraw/zinc/72/19/75/515721975.db2.gz YNYQUBAAYFXWDJ-AWEZNQCLSA-N 1 0 372.425 2.938 20 5 FFBDRO COC(=O)c1cnc(NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000478274477 515762258 /nfs/dbraw/zinc/76/22/58/515762258.db2.gz DGJMYILYRWIFRL-KBPBESRZSA-N 1 0 364.446 2.946 20 5 FFBDRO CCCCNC(=O)C1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000482696563 515773720 /nfs/dbraw/zinc/77/37/20/515773720.db2.gz ZYFNFLSQLGMYSX-UHFFFAOYSA-N 1 0 359.430 2.599 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+][C@H](c2cccnc2)C2CC2)cc1[N+](=O)[O-] ZINC000474018153 515843703 /nfs/dbraw/zinc/84/37/03/515843703.db2.gz FHBFZCQRUJOOLW-IBGZPJMESA-N 1 0 371.393 2.783 20 5 FFBDRO Cn1cc(C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000487464074 515868570 /nfs/dbraw/zinc/86/85/70/515868570.db2.gz OEXCRXKCXOABFI-HOCLYGCPSA-N 1 0 371.441 2.598 20 5 FFBDRO COc1ccc(NC(=O)CC[N@H+](C)Cc2cnccc2C)c([N+](=O)[O-])c1 ZINC000483009879 515880895 /nfs/dbraw/zinc/88/08/95/515880895.db2.gz AQGZLFNPRJXEFD-UHFFFAOYSA-N 1 0 358.398 2.767 20 5 FFBDRO C[NH+](C)C1(CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCC1 ZINC000474104051 515883452 /nfs/dbraw/zinc/88/34/52/515883452.db2.gz LAHBHUXQDXBOKT-UHFFFAOYSA-N 1 0 356.220 2.571 20 5 FFBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000511429018 515902913 /nfs/dbraw/zinc/90/29/13/515902913.db2.gz PUFPKWHMZPMRKB-INIZCTEOSA-N 1 0 360.458 2.796 20 5 FFBDRO C[C@H](CCCC[NH3+])NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000494704955 515935609 /nfs/dbraw/zinc/93/56/09/515935609.db2.gz XSGNIGSINYGKBM-OAHLLOKOSA-N 1 0 351.450 2.788 20 5 FFBDRO COc1cc(C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)cc([N+](=O)[O-])c1C ZINC000478741385 515946740 /nfs/dbraw/zinc/94/67/40/515946740.db2.gz VLYPEHIAZGIEOG-QGZVFWFLSA-N 1 0 371.437 2.815 20 5 FFBDRO CCOCCC[N@@H+]1CC[C@H](NCc2ccc([N+](=O)[O-])c(OC)c2)[C@H](C)C1 ZINC000469789549 515968161 /nfs/dbraw/zinc/96/81/61/515968161.db2.gz YUHBGXAFAWJMQL-WBVHZDCISA-N 1 0 365.474 2.830 20 5 FFBDRO C[C@H]1CCC[C@@](CNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)([NH+](C)C)C1 ZINC000487772480 515971554 /nfs/dbraw/zinc/97/15/54/515971554.db2.gz UQSRYBUUGOKOOP-KPZWWZAWSA-N 1 0 363.414 2.564 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2CCCC(F)(F)C2)cc1[N+](=O)[O-] ZINC000474347623 516004641 /nfs/dbraw/zinc/00/46/41/516004641.db2.gz SSIKHEYECGDWMU-GFCCVEGCSA-N 1 0 358.341 2.814 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+]Cc2sc(C)nc2C)cc1[N+](=O)[O-] ZINC000474358446 516010138 /nfs/dbraw/zinc/01/01/38/516010138.db2.gz WKAWZNOVBCRFPG-UHFFFAOYSA-N 1 0 365.411 2.510 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+]CCc2cccs2)cc1[N+](=O)[O-] ZINC000474368783 516015156 /nfs/dbraw/zinc/01/51/56/516015156.db2.gz HREAZDNLSRGHNX-UHFFFAOYSA-N 1 0 350.396 2.540 20 5 FFBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000487898349 516023922 /nfs/dbraw/zinc/02/39/22/516023922.db2.gz PMPHRJDRVWDDNZ-CYBMUJFWSA-N 1 0 368.865 2.964 20 5 FFBDRO COc1c(C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000474400265 516031217 /nfs/dbraw/zinc/03/12/17/516031217.db2.gz SHEFGSLWWGAPIX-HNNXBMFYSA-N 1 0 357.410 2.506 20 5 FFBDRO COC(=O)[C@@H]1CC[N@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[C@H]1C ZINC000469995790 516067997 /nfs/dbraw/zinc/06/79/97/516067997.db2.gz FUGALENZDMSWKT-COPLHBTASA-N 1 0 360.370 2.589 20 5 FFBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000495181692 516092532 /nfs/dbraw/zinc/09/25/32/516092532.db2.gz DMOPVSYDEUZPBV-CYBMUJFWSA-N 1 0 374.363 2.897 20 5 FFBDRO CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000488060518 516100287 /nfs/dbraw/zinc/10/02/87/516100287.db2.gz IMPBRFSOAQFODH-QAPCUYQASA-N 1 0 372.425 2.962 20 5 FFBDRO C[C@H](CO)[N@@H+]1CCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000470131026 516134774 /nfs/dbraw/zinc/13/47/74/516134774.db2.gz FNZUCTSQALXPNM-OAHLLOKOSA-N 1 0 359.426 2.743 20 5 FFBDRO C[NH+](C)CCN(Cc1ccco1)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470134650 516136185 /nfs/dbraw/zinc/13/61/85/516136185.db2.gz QVRQFAOGOFKSMF-UHFFFAOYSA-N 1 0 350.350 2.923 20 5 FFBDRO O=C(NCC[N@@H+]1CCc2ccccc2C1)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470143382 516141738 /nfs/dbraw/zinc/14/17/38/516141738.db2.gz JQPIEIYSQRBYOL-UHFFFAOYSA-N 1 0 358.373 2.914 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000507270868 516148687 /nfs/dbraw/zinc/14/86/87/516148687.db2.gz DGBVHYYVFXXYEE-CYBMUJFWSA-N 1 0 369.487 2.692 20 5 FFBDRO O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000470165211 516156463 /nfs/dbraw/zinc/15/64/63/516156463.db2.gz GKJYXNMPDFUDKQ-CYBMUJFWSA-N 1 0 369.368 2.943 20 5 FFBDRO C[NH+](C)[C@@H](CNC(=O)NCCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000465450234 516157650 /nfs/dbraw/zinc/15/76/50/516157650.db2.gz ZIPDTJZCPTYAQV-SFHVURJKSA-N 1 0 356.426 2.739 20 5 FFBDRO CCN(C(=O)c1cc([N+](=O)[O-])n[nH]1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000507470135 516219818 /nfs/dbraw/zinc/21/98/18/516219818.db2.gz TXTKTYVFQAQGLF-DZGCQCFKSA-N 1 0 357.414 2.616 20 5 FFBDRO CCC[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC)CC[N@@H+]1CCOC ZINC000501771409 516220615 /nfs/dbraw/zinc/22/06/15/516220615.db2.gz FVJKDZPDPOXZFV-QGZVFWFLSA-N 1 0 351.447 2.536 20 5 FFBDRO Cc1ccc(S(=O)(=O)NCCC[N@@H+](C)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000507568135 516247626 /nfs/dbraw/zinc/24/76/26/516247626.db2.gz QGTKGPDCOBWHLF-UHFFFAOYSA-N 1 0 369.487 2.836 20 5 FFBDRO Cc1c(CC(=O)N2CC([N@H+](C)Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000512417573 516270814 /nfs/dbraw/zinc/27/08/14/516270814.db2.gz ZVYQTJUZAGIPHA-UHFFFAOYSA-N 1 0 353.422 2.789 20 5 FFBDRO O=C(Nc1cccc(C[NH+]2CCC(O)CC2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000488677004 516285368 /nfs/dbraw/zinc/28/53/68/516285368.db2.gz LCFVEPNWHWCAIP-UHFFFAOYSA-N 1 0 355.394 2.804 20 5 FFBDRO Cn1c(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)ccc1[N+](=O)[O-] ZINC000497629128 516328513 /nfs/dbraw/zinc/32/85/13/516328513.db2.gz SFENYNRRRSUZRE-UHFFFAOYSA-N 1 0 356.426 2.849 20 5 FFBDRO CN(c1ccccc1)c1ccc(C[NH2+]C[C@@H](O)[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000522962504 516361491 /nfs/dbraw/zinc/36/14/91/516361491.db2.gz HIEZYVBSAVADLM-OXQOHEQNSA-N 1 0 371.437 2.850 20 5 FFBDRO COC(=O)[C@H]1CCCC[C@@]1(C)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000535466822 516367167 /nfs/dbraw/zinc/36/71/67/516367167.db2.gz ZZAZLGVHMLWNOO-RDTXWAMCSA-N 1 0 363.414 2.553 20 5 FFBDRO Cc1cc([N+](=O)[O-])cnc1NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000517661639 516403485 /nfs/dbraw/zinc/40/34/85/516403485.db2.gz BFXWDWFVISKHMU-UHFFFAOYSA-N 1 0 356.426 2.807 20 5 FFBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC(OCC2CCCCC2)CC1 ZINC000535582157 516411784 /nfs/dbraw/zinc/41/17/84/516411784.db2.gz GDHLHUATGBAYPQ-UHFFFAOYSA-N 1 0 363.458 2.818 20 5 FFBDRO COc1ccc(CNC(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000517738099 516433074 /nfs/dbraw/zinc/43/30/74/516433074.db2.gz WGEZANITQNMRIB-ZIAGYGMSSA-N 1 0 364.446 2.523 20 5 FFBDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000523354778 516447307 /nfs/dbraw/zinc/44/73/07/516447307.db2.gz IXEYQYFSBJUTSA-CYBMUJFWSA-N 1 0 352.410 2.701 20 5 FFBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000531427065 516459362 /nfs/dbraw/zinc/45/93/62/516459362.db2.gz IZSBLQISTHMBRC-NSHDSACASA-N 1 0 370.247 2.817 20 5 FFBDRO C[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc([S@](C)=O)cc1 ZINC000561225950 516464614 /nfs/dbraw/zinc/46/46/14/516464614.db2.gz RGUWUAKEHKAZTP-VDBVYFBLSA-N 1 0 361.423 2.622 20 5 FFBDRO CC[C@H]([NH3+])CNC(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 ZINC000517935009 516497397 /nfs/dbraw/zinc/49/73/97/516497397.db2.gz IMJCKRMRTSPHHL-NSHDSACASA-N 1 0 366.468 2.978 20 5 FFBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000523595144 516515254 /nfs/dbraw/zinc/51/52/54/516515254.db2.gz SUXLISMTCMHKBB-OWCLPIDISA-N 1 0 362.474 2.803 20 5 FFBDRO CCc1cnccc1[C@@H](C)[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000543980811 516525298 /nfs/dbraw/zinc/52/52/98/516525298.db2.gz ODOVQMDSXGQALK-CYBMUJFWSA-N 1 0 354.410 2.792 20 5 FFBDRO CNc1ccc(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000523738928 516562863 /nfs/dbraw/zinc/56/28/63/516562863.db2.gz UASAZOWXFBXMEM-UHFFFAOYSA-N 1 0 360.389 2.767 20 5 FFBDRO CCC1(CC)[C@H](OC)C[C@H]1[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000544072353 516568225 /nfs/dbraw/zinc/56/82/25/516568225.db2.gz VCPAIHQGOYAHRG-BMGDILEWSA-N 1 0 366.458 2.860 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C1(c2ccccc2)CCOCC1 ZINC000544070453 516568436 /nfs/dbraw/zinc/56/84/36/516568436.db2.gz ABUULCVURBZGNL-KRWDZBQOSA-N 1 0 372.421 2.630 20 5 FFBDRO CC[NH+](CC)C[C@@H](C)NC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000558064897 516576860 /nfs/dbraw/zinc/57/68/60/516576860.db2.gz LDJZKQXWXXCYJL-CYBMUJFWSA-N 1 0 361.446 2.648 20 5 FFBDRO C[C@@H](C[NH+](C)C)Nc1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000561432506 516580722 /nfs/dbraw/zinc/58/07/22/516580722.db2.gz SNUUMVIQFJXCGS-VIFPVBQESA-N 1 0 353.220 2.689 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCc2c(F)ccc(F)c2C1 ZINC000544145144 516611523 /nfs/dbraw/zinc/61/15/23/516611523.db2.gz IHOAOHDGYCIKMM-GFCCVEGCSA-N 1 0 364.348 2.671 20 5 FFBDRO COc1ccc(-c2ccc(C[NH2+][C@@H](C)C[S@@](C)=O)o2)c([N+](=O)[O-])c1 ZINC000544167312 516621255 /nfs/dbraw/zinc/62/12/55/516621255.db2.gz IQHOJQHQXVGGNK-APXPCNQMSA-N 1 0 352.412 2.720 20 5 FFBDRO CS(=O)(=O)[C@H]1CCC[C@H]([NH2+]CCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000551313261 516655361 /nfs/dbraw/zinc/65/53/61/516655361.db2.gz KEYWXGFWVOTMNJ-RDJZCZTQSA-N 1 0 354.472 2.863 20 5 FFBDRO CCCC1CCC([NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000524200575 516667649 /nfs/dbraw/zinc/66/76/49/516667649.db2.gz PDYAHBJOTMARJH-UHFFFAOYSA-N 1 0 369.487 2.822 20 5 FFBDRO CC[NH+](CC)[C@H](CNS(=O)(=O)c1ccccc1[N+](=O)[O-])CC(C)C ZINC000531837245 516670517 /nfs/dbraw/zinc/67/05/17/516670517.db2.gz CXKJVTIQSLXOBL-AWEZNQCLSA-N 1 0 357.476 2.630 20 5 FFBDRO COc1ccc([C@H](C[NH+](C)C)NC(=O)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000551541425 516750580 /nfs/dbraw/zinc/75/05/80/516750580.db2.gz QGLSWPJZHWLQSV-SFHVURJKSA-N 1 0 357.410 2.565 20 5 FFBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C[C@@H](C)C1 ZINC000561762682 516756825 /nfs/dbraw/zinc/75/68/25/516756825.db2.gz PTYKIIXRYKWZSH-GDZNZVCISA-N 1 0 356.426 2.878 20 5 FFBDRO CCCc1n[nH]c(C(=O)N2CCC[C@H]([NH+]3[C@H](C)CC[C@H]3C)C2)c1[N+](=O)[O-] ZINC000524637202 516775628 /nfs/dbraw/zinc/77/56/28/516775628.db2.gz QDOODUOOWSHPIF-MCIONIFRSA-N 1 0 363.462 2.748 20 5 FFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc2c(c1)C(=O)NCC2 ZINC000544573970 516819506 /nfs/dbraw/zinc/81/95/06/516819506.db2.gz DPRDWMPUFXJXLN-AWEZNQCLSA-N 1 0 353.422 2.992 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]Cc2ccc(Cl)c(F)c2)cc1 ZINC000544599656 516830260 /nfs/dbraw/zinc/83/02/60/516830260.db2.gz YNFAWYDJDOVLEA-UHFFFAOYSA-N 1 0 372.805 2.951 20 5 FFBDRO Cc1cc(N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)c(F)cc1[N+](=O)[O-] ZINC000555222034 516836806 /nfs/dbraw/zinc/83/68/06/516836806.db2.gz KBSAYOWNKQAKKH-OAHLLOKOSA-N 1 0 350.438 2.647 20 5 FFBDRO C[NH+](C)C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1N)c1ccc(Cl)cc1 ZINC000555228966 516841038 /nfs/dbraw/zinc/84/10/38/516841038.db2.gz ACXPQLKKVPGGPD-AWEZNQCLSA-N 1 0 362.817 2.863 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000525053985 516903928 /nfs/dbraw/zinc/90/39/28/516903928.db2.gz TUMQXMIUMCTRDE-GXTWGEPZSA-N 1 0 365.430 2.557 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+]C(C)(C)c1ccc(C)nc1 ZINC000544759145 516912932 /nfs/dbraw/zinc/91/29/32/516912932.db2.gz SZXRMKCNECDOLH-UHFFFAOYSA-N 1 0 358.398 2.770 20 5 FFBDRO CC[NH+](CC)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000532388304 516946837 /nfs/dbraw/zinc/94/68/37/516946837.db2.gz ODZXAMMXCFRMGD-KRWDZBQOSA-N 1 0 356.426 2.673 20 5 FFBDRO C[NH+](C)CCN1CCC(N[C@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)CC1 ZINC000514608267 516960261 /nfs/dbraw/zinc/96/02/61/516960261.db2.gz MPQVORVYTRZOLB-MRXNPFEDSA-N 1 0 374.407 2.814 20 5 FFBDRO CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000558859544 516973647 /nfs/dbraw/zinc/97/36/47/516973647.db2.gz DXAXLVDPFUBCAI-MRXNPFEDSA-N 1 0 358.446 2.650 20 5 FFBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000525353685 517014139 /nfs/dbraw/zinc/01/41/39/517014139.db2.gz BNZSVFXHVCDXDQ-KRWDZBQOSA-N 1 0 362.474 2.947 20 5 FFBDRO C[C@@H]1CCC[N@H+](CCNC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000525355355 517016421 /nfs/dbraw/zinc/01/64/21/517016421.db2.gz RBAYAUZYTJRZAN-MRXNPFEDSA-N 1 0 362.474 2.949 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)CCc1ccccc1O ZINC000541389556 517025889 /nfs/dbraw/zinc/02/58/89/517025889.db2.gz ARVXUSAAQBYRSK-UHFFFAOYSA-N 1 0 373.409 2.812 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C[C@@H]1C ZINC000525396030 517028682 /nfs/dbraw/zinc/02/86/82/517028682.db2.gz KRAKLPRVNUDROD-KSSFIOAISA-N 1 0 371.441 2.725 20 5 FFBDRO COc1ccc(NC(=O)CC[N@H+](C)Cc2cccc(O)c2)c([N+](=O)[O-])c1 ZINC000532589457 517050348 /nfs/dbraw/zinc/05/03/48/517050348.db2.gz CBJOAEUKHTUJME-UHFFFAOYSA-N 1 0 359.382 2.770 20 5 FFBDRO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000537178361 517070491 /nfs/dbraw/zinc/07/04/91/517070491.db2.gz DOCURFGUPGKKLW-YPMHNXCESA-N 1 0 359.430 2.931 20 5 FFBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](N2CCOCC2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000552097877 517076248 /nfs/dbraw/zinc/07/62/48/517076248.db2.gz PRBLIDRERIWQER-IUODEOHRSA-N 1 0 361.364 2.817 20 5 FFBDRO COc1ccc(OCC[N@@H+]2CCC[C@@](CO)(C(C)C)C2)c([N+](=O)[O-])c1 ZINC000555711887 517078081 /nfs/dbraw/zinc/07/80/81/517078081.db2.gz CUYGLPWJYOEWKQ-GOSISDBHSA-N 1 0 352.431 2.713 20 5 FFBDRO CN(CCC[NH+]1CCCC1)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000545279701 517149941 /nfs/dbraw/zinc/14/99/41/517149941.db2.gz HZOQOCGNAVGDAD-UHFFFAOYSA-N 1 0 374.485 2.756 20 5 FFBDRO C[C@H](C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)S(C)(=O)=O ZINC000532809255 517155888 /nfs/dbraw/zinc/15/58/88/517155888.db2.gz MFXXOOLDOZFFGH-LLVKDONJSA-N 1 0 354.453 2.846 20 5 FFBDRO COc1ccc(C[NH2+]C[C@H](O)COc2c(C)cccc2C)cc1[N+](=O)[O-] ZINC000555911771 517179593 /nfs/dbraw/zinc/17/95/93/517179593.db2.gz NXAWXBDHOZINTP-INIZCTEOSA-N 1 0 360.410 2.750 20 5 FFBDRO Cc1cc(NC[C@H]2CC[N@@H+](C(C)C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000548764972 517199195 /nfs/dbraw/zinc/19/91/95/517199195.db2.gz LRYIDFRUHPKQKN-OAHLLOKOSA-N 1 0 355.442 2.924 20 5 FFBDRO COC1(C[NH+]2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)CCCCC1 ZINC000552415627 517248207 /nfs/dbraw/zinc/24/82/07/517248207.db2.gz MHMRCKXFKPFFGK-UHFFFAOYSA-N 1 0 361.442 2.702 20 5 FFBDRO COc1cc(C[NH+]2CCC(OC[C@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000537610584 517256475 /nfs/dbraw/zinc/25/64/75/517256475.db2.gz SJOUHTYNJFLENR-HNNXBMFYSA-N 1 0 350.415 2.621 20 5 FFBDRO COc1ccc(C[NH2+]Cc2ccc3c(c2)sc(=O)n3C)cc1[N+](=O)[O-] ZINC000525986037 517275843 /nfs/dbraw/zinc/27/58/43/517275843.db2.gz AMINMEWZLDBSKY-UHFFFAOYSA-N 1 0 359.407 2.807 20 5 FFBDRO CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CC[NH+](C)CC2)cc1OC ZINC000541989867 517325427 /nfs/dbraw/zinc/32/54/27/517325427.db2.gz YFAGJBBVLFBGBP-CQSZACIVSA-N 1 0 351.447 2.776 20 5 FFBDRO CC(C)(C)[C@H]1C[C@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000515415605 517344837 /nfs/dbraw/zinc/34/48/37/517344837.db2.gz VAWUAWJWZGCWBA-CZUORRHYSA-N 1 0 370.471 2.552 20 5 FFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Nc1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000520441905 517395040 /nfs/dbraw/zinc/39/50/40/517395040.db2.gz BYUVFUPLCGZVRE-DYVFJYSZSA-N 1 0 354.410 2.626 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(OC(C)C)CC1 ZINC000533338763 517412958 /nfs/dbraw/zinc/41/29/58/517412958.db2.gz KVEZCIWQKHZCFW-UHFFFAOYSA-N 1 0 365.430 2.821 20 5 FFBDRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000520760071 517501339 /nfs/dbraw/zinc/50/13/39/517501339.db2.gz KSYTXNIOIUORNK-GJZGRUSLSA-N 1 0 371.441 2.773 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000562979198 517550832 /nfs/dbraw/zinc/55/08/32/517550832.db2.gz UZDZWFLZFULEPQ-OAHLLOKOSA-N 1 0 368.231 2.573 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCCCCC[NH+]2CCCC2)c1C ZINC000549521951 517598225 /nfs/dbraw/zinc/59/82/25/517598225.db2.gz BQXVGVSORBNNOI-UHFFFAOYSA-N 1 0 369.487 2.756 20 5 FFBDRO CC(C)c1noc(CCC[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])n1 ZINC000516175429 517601914 /nfs/dbraw/zinc/60/19/14/517601914.db2.gz OSUKTJSIMYRATC-UHFFFAOYSA-N 1 0 361.402 2.652 20 5 FFBDRO Cn1ccnc1[C@H]1CC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000542519237 517606978 /nfs/dbraw/zinc/60/69/78/517606978.db2.gz MTVDLUMBPODQME-AWEZNQCLSA-N 1 0 353.382 2.973 20 5 FFBDRO Cc1cc(N2C[C@@H](N3CCOCC3)C[C@H]2C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000553264231 517611375 /nfs/dbraw/zinc/61/13/75/517611375.db2.gz ILTWQBYCSMPYHP-ZBFHGGJFSA-N 1 0 356.426 2.751 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC000553272536 517616168 /nfs/dbraw/zinc/61/61/68/517616168.db2.gz BDSDENBFKRXQDO-OKILXGFUSA-N 1 0 364.446 2.946 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCCCC[N@@H+]2CCCC[C@@H]2C)n1 ZINC000553275577 517620467 /nfs/dbraw/zinc/62/04/67/517620467.db2.gz LGRMFHFEKJDVJQ-ZDUSSCGKSA-N 1 0 350.419 2.843 20 5 FFBDRO CC[C@H]1C[N@H+](C)CCN1C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000556763387 517639688 /nfs/dbraw/zinc/63/96/88/517639688.db2.gz HXPBRZYNTOOMHP-ZDUSSCGKSA-N 1 0 374.363 2.849 20 5 FFBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000553332850 517651381 /nfs/dbraw/zinc/65/13/81/517651381.db2.gz UANRMYFRTUNRNY-LBPRGKRZSA-N 1 0 370.247 2.962 20 5 FFBDRO CC[C@H]([NH3+])CNC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000563118594 517670322 /nfs/dbraw/zinc/67/03/22/517670322.db2.gz DGGJNRZXNPSHEQ-JSGCOSHPSA-N 1 0 357.414 2.630 20 5 FFBDRO COc1ccc(-c2ccc(C[NH2+][C@H]3CC(=O)N(C4CC4)C3)o2)c([N+](=O)[O-])c1 ZINC000538604033 517686192 /nfs/dbraw/zinc/68/61/92/517686192.db2.gz HTTODXHOZCDKQY-LBPRGKRZSA-N 1 0 371.393 2.716 20 5 FFBDRO O=C1NCCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)[C@H]1Cc1ccccc1 ZINC000549832890 517733346 /nfs/dbraw/zinc/73/33/46/517733346.db2.gz PDFGCAKTHJELNU-IBGZPJMESA-N 1 0 353.422 2.571 20 5 FFBDRO COc1cc(C(=O)N2CC([N@H+](C)Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000553508282 517752491 /nfs/dbraw/zinc/75/24/91/517752491.db2.gz YGOXZJCNRXAJHX-UHFFFAOYSA-N 1 0 355.394 2.560 20 5 FFBDRO CC(C)Oc1nc(NCc2ccc(CC[NH+](C)C)cc2)ccc1[N+](=O)[O-] ZINC000516663509 517795986 /nfs/dbraw/zinc/79/59/86/517795986.db2.gz RDKZUCRFVNMICR-UHFFFAOYSA-N 1 0 358.442 2.915 20 5 FFBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C[C@H]1C ZINC000542889141 517800965 /nfs/dbraw/zinc/80/09/65/517800965.db2.gz OPHFZPWGFABZEV-MNOVXSKESA-N 1 0 357.357 2.751 20 5 FFBDRO C[NH+](C)CCCOC1CCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC000534256514 517807596 /nfs/dbraw/zinc/80/75/96/517807596.db2.gz GFWISRDIUCJAMU-UHFFFAOYSA-N 1 0 374.441 2.649 20 5 FFBDRO COc1ccccc1[C@H](CO)[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000542912801 517811132 /nfs/dbraw/zinc/81/11/32/517811132.db2.gz UUOJVZCMGIEXMK-KRWDZBQOSA-N 1 0 373.409 2.564 20 5 FFBDRO Cn1ccnc1[C@H](NCCNc1ccccn1)c1ccc([N+](=O)[O-])cc1 ZINC000560529006 517875019 /nfs/dbraw/zinc/87/50/19/517875019.db2.gz TWFLZNZGCFGPQP-QGZVFWFLSA-N 1 0 352.398 2.514 20 5 FFBDRO O=C(C1CC[NH+]([C@H]2CCSC2)CC1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000516875564 517887769 /nfs/dbraw/zinc/88/77/69/517887769.db2.gz CHYQMKOEXFCRBF-AWEZNQCLSA-N 1 0 361.467 2.701 20 5 FFBDRO Cc1nccn1C[C@@H](C)C[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000539068132 517902116 /nfs/dbraw/zinc/90/21/16/517902116.db2.gz MCYZCBOCMUOTDH-KBPBESRZSA-N 1 0 359.430 2.743 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000557331412 517960031 /nfs/dbraw/zinc/96/00/31/517960031.db2.gz WCSPHHGKIUKBIN-WMZOPIPTSA-N 1 0 360.458 2.838 20 5 FFBDRO CC[NH+](CC)CCNC(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000550264577 517960223 /nfs/dbraw/zinc/96/02/23/517960223.db2.gz LZZAMJYRYZTBOR-UHFFFAOYSA-N 1 0 358.236 2.737 20 5 FFBDRO CO[C@H](C)[C@@H](C)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000517000058 517967241 /nfs/dbraw/zinc/96/72/41/517967241.db2.gz MOEIYLGYBQNYHS-RKDXNWHRSA-N 1 0 364.183 2.712 20 5 FFBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000522091399 517979837 /nfs/dbraw/zinc/97/98/37/517979837.db2.gz BJUZBDKASQMFOH-CYBMUJFWSA-N 1 0 362.455 2.637 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1C[C@H](OCC)[C@@H]1n1cccn1 ZINC000550325285 517994859 /nfs/dbraw/zinc/99/48/59/517994859.db2.gz RYDJYKGWHAVLEG-BPQIPLTHSA-N 1 0 360.414 2.698 20 5 FFBDRO C[C@@H]1CN(CC[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCO1 ZINC000522212738 518035635 /nfs/dbraw/zinc/03/56/35/518035635.db2.gz SHAWJWRSXAUOOD-CYBMUJFWSA-N 1 0 362.455 2.529 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)c1 ZINC000534797000 518036468 /nfs/dbraw/zinc/03/64/68/518036468.db2.gz IWCBICILMYULKM-CVEARBPZSA-N 1 0 357.410 2.651 20 5 FFBDRO COc1ccc(CC(=O)NC2CC[NH+](C3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000530898009 518039939 /nfs/dbraw/zinc/03/99/39/518039939.db2.gz OSCDHDIVLCLTNT-UHFFFAOYSA-N 1 0 361.442 2.669 20 5 FFBDRO C[C@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)C[NH+]1CCCC1 ZINC000547289790 518060566 /nfs/dbraw/zinc/06/05/66/518060566.db2.gz WRDDRQSOOCYGGG-CYBMUJFWSA-N 1 0 351.422 2.860 20 5 FFBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000522364767 518089278 /nfs/dbraw/zinc/08/92/78/518089278.db2.gz BJLIFOBMXLCTDQ-GUYCJALGSA-N 1 0 367.421 2.601 20 5 FFBDRO C[NH+](C)[C@@H](CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)Cc1ccccc1 ZINC000534983390 518106934 /nfs/dbraw/zinc/10/69/34/518106934.db2.gz QRIHOFIIPUSWIT-OAHLLOKOSA-N 1 0 366.421 2.979 20 5 FFBDRO Cc1ccc(C[NH2+]C[C@@H](Cc2ccccc2Cl)C(N)=O)cc1[N+](=O)[O-] ZINC000539618710 518123082 /nfs/dbraw/zinc/12/30/82/518123082.db2.gz QAYRMSSSUUXMFR-OAHLLOKOSA-N 1 0 361.829 2.990 20 5 FFBDRO C[C@@H]1CN(CC[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000539814923 518166539 /nfs/dbraw/zinc/16/65/39/518166539.db2.gz YKMGWZIZLZFPTM-UZLBHIALSA-N 1 0 355.438 2.995 20 5 FFBDRO COC(=O)CCC1CC[NH+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000539830452 518170131 /nfs/dbraw/zinc/17/01/31/518170131.db2.gz XAYKHAMUZBTIPG-UHFFFAOYSA-N 1 0 366.414 2.777 20 5 FFBDRO Cc1cccc2ncc(C[N@@H+]3CC[C@H](Nc4ccc([N+](=O)[O-])cn4)C3)n21 ZINC000539836388 518170724 /nfs/dbraw/zinc/17/07/24/518170724.db2.gz ASRWQPKJPBSBEY-AWEZNQCLSA-N 1 0 352.398 2.632 20 5 FFBDRO O=C(CC[NH2+]Cc1ccc(OC(F)F)cn1)Nc1ccccc1[N+](=O)[O-] ZINC000563881769 518212932 /nfs/dbraw/zinc/21/29/32/518212932.db2.gz JCFAIZCIIIRFBH-UHFFFAOYSA-N 1 0 366.324 2.710 20 5 FFBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000566836452 518223701 /nfs/dbraw/zinc/22/37/01/518223701.db2.gz KBDIYFSTHWUJIU-QGZVFWFLSA-N 1 0 360.458 2.783 20 5 FFBDRO Cc1cc(F)ccc1CC[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000569715878 518256078 /nfs/dbraw/zinc/25/60/78/518256078.db2.gz SUZNHBBBCMRSSI-UHFFFAOYSA-N 1 0 366.414 2.648 20 5 FFBDRO O=C1C[C@H](C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CN1C1CC1 ZINC000578540225 518257678 /nfs/dbraw/zinc/25/76/78/518257678.db2.gz REVOXOWVSJPKOZ-CYBMUJFWSA-N 1 0 355.394 2.955 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2noc(CN3CCCC[C@@H]3[C@@H]3CCC[NH2+]3)n2)c1 ZINC000578610944 518291298 /nfs/dbraw/zinc/29/12/98/518291298.db2.gz DKRAYVULZMYYCO-JKSUJKDBSA-N 1 0 357.414 2.751 20 5 FFBDRO C[NH+](C)CCc1ccc(C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000575891827 518331171 /nfs/dbraw/zinc/33/11/71/518331171.db2.gz SFEOOKMMYCDLED-UHFFFAOYSA-N 1 0 369.421 2.602 20 5 FFBDRO C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000564202508 518349086 /nfs/dbraw/zinc/34/90/86/518349086.db2.gz MLBMUEXAGLNOCP-OAGGEKHMSA-N 1 0 362.474 2.879 20 5 FFBDRO CC[NH+]1CCC(CNc2cc(CN3CCOCC3)ccc2[N+](=O)[O-])CC1 ZINC000567118557 518361089 /nfs/dbraw/zinc/36/10/89/518361089.db2.gz GBJGPXBLQUOKBJ-UHFFFAOYSA-N 1 0 362.474 2.571 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000581675608 518402936 /nfs/dbraw/zinc/40/29/36/518402936.db2.gz YIGRGYFPKVHJPV-MRXNPFEDSA-N 1 0 369.421 2.742 20 5 FFBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@@H]1C ZINC000567207134 518404647 /nfs/dbraw/zinc/40/46/47/518404647.db2.gz GWXOAQIESFZKPX-UONOGXRCSA-N 1 0 373.457 2.743 20 5 FFBDRO O=C(CC[NH2+]C[C@]1(CO)C[C@H]1c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000581726265 518427157 /nfs/dbraw/zinc/42/71/57/518427157.db2.gz GAZGPVOXJRIPDG-JXFKEZNVSA-N 1 0 369.421 2.679 20 5 FFBDRO C[N@@H+]1CCO[C@@H]2CCN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)C[C@H]21 ZINC000584710851 518441581 /nfs/dbraw/zinc/44/15/81/518441581.db2.gz KKIRLDYOSJRPIG-IAGOWNOFSA-N 1 0 354.410 2.566 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CCc2c[nH]c3ccc(F)cc23)c1 ZINC000578997584 518474510 /nfs/dbraw/zinc/47/45/10/518474510.db2.gz IHBQMULLCOMIOK-INIZCTEOSA-N 1 0 373.384 2.787 20 5 FFBDRO CC(=O)c1ccc(OC[C@H](O)C[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000576221135 518487581 /nfs/dbraw/zinc/48/75/81/518487581.db2.gz XPBLCZQLPDUCAK-QGZVFWFLSA-N 1 0 358.394 2.635 20 5 FFBDRO C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)c2ccccc2O1 ZINC000567465041 518537799 /nfs/dbraw/zinc/53/77/99/518537799.db2.gz IMJVUUDFCMPWNG-DDUZABMNSA-N 1 0 358.394 2.836 20 5 FFBDRO C[C@H](CCC(C)(C)C)[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000576417189 518582599 /nfs/dbraw/zinc/58/25/99/518582599.db2.gz PNUBPBKCYDMLTQ-CYBMUJFWSA-N 1 0 357.476 2.678 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])c(N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)n1 ZINC000585789906 518598815 /nfs/dbraw/zinc/59/88/15/518598815.db2.gz DLZHMXFRWRZHID-MAUKXSAKSA-N 1 0 372.473 2.859 20 5 FFBDRO COC1CCC(C)(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000564792500 518617240 /nfs/dbraw/zinc/61/72/40/518617240.db2.gz IPJFOVMJAQUJFX-UHFFFAOYSA-N 1 0 370.471 2.553 20 5 FFBDRO CC(C)Oc1nc(NC[C@H](c2ccsc2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000567627320 518621231 /nfs/dbraw/zinc/62/12/31/518621231.db2.gz MNIWDMKRSPWRSV-CQSZACIVSA-N 1 0 350.444 2.975 20 5 FFBDRO Cc1nn(C)c(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)c1Br ZINC000570516603 518645736 /nfs/dbraw/zinc/64/57/36/518645736.db2.gz VYGBUJAUXHYEFX-UHFFFAOYSA-N 1 0 369.219 2.568 20 5 FFBDRO C[NH+](C)Cc1ccc(NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000564857670 518657532 /nfs/dbraw/zinc/65/75/32/518657532.db2.gz OGPSTKVTEWLYGY-UHFFFAOYSA-N 1 0 363.439 2.542 20 5 FFBDRO COc1cccc(C2(C[NH2+]C[C@@H](O)COc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000564868897 518664274 /nfs/dbraw/zinc/66/42/74/518664274.db2.gz KFXJTSAMGUNUKQ-MRXNPFEDSA-N 1 0 372.421 2.665 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+]C2CC(C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000579458676 518690504 /nfs/dbraw/zinc/69/05/04/518690504.db2.gz OPYWIDTZUGPXIP-UHFFFAOYSA-N 1 0 362.304 2.577 20 5 FFBDRO COc1cccc([N+](=O)[O-])c1NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000570653546 518713847 /nfs/dbraw/zinc/71/38/47/518713847.db2.gz ZALFDOCXMKLFSU-HZPDHXFCSA-N 1 0 357.410 2.651 20 5 FFBDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3Cl)[C@H]2C1 ZINC000579519503 518718876 /nfs/dbraw/zinc/71/88/76/518718876.db2.gz MBSKCMFOYHRANX-QRTARXTBSA-N 1 0 351.834 2.985 20 5 FFBDRO COc1cc(CC[NH2+]C[C@H](O)[C@H](C)c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000576704183 518723475 /nfs/dbraw/zinc/72/34/75/518723475.db2.gz RSRWTOMLFOHHLB-KDOFPFPSSA-N 1 0 374.437 2.909 20 5 FFBDRO Cc1c(C(=O)NCc2ccncc2OCCC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000576739026 518739299 /nfs/dbraw/zinc/73/92/99/518739299.db2.gz NPZPKUMGDGAAAM-UHFFFAOYSA-N 1 0 372.425 2.559 20 5 FFBDRO Cc1nn(-c2cc[nH+]cc2)cc1CN1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000573673218 518777994 /nfs/dbraw/zinc/77/79/94/518777994.db2.gz ZGTJFHFHVYFFLN-UHFFFAOYSA-N 1 0 365.393 2.879 20 5 FFBDRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000567954090 518799056 /nfs/dbraw/zinc/79/90/56/518799056.db2.gz OZCVCGRSRYKHNE-MRXNPFEDSA-N 1 0 370.453 2.957 20 5 FFBDRO CC(C)c1n[nH]c(C(=O)N[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000568143655 518893895 /nfs/dbraw/zinc/89/38/95/518893895.db2.gz DEJUITDPKYNMSY-IBGZPJMESA-N 1 0 371.441 2.836 20 5 FFBDRO Cc1cc(N[C@@H]2CCC[C@H](S(C)(=O)=O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000579880592 518898995 /nfs/dbraw/zinc/89/89/95/518898995.db2.gz BRZUCQJCTIWIDO-OCCSQVGLSA-N 1 0 363.439 2.641 20 5 FFBDRO Cc1ccc2c(CC[NH2+]C[C@@H](O)COc3cccc([N+](=O)[O-])c3)c[nH]c2c1 ZINC000571074134 518913531 /nfs/dbraw/zinc/91/35/31/518913531.db2.gz IJDOBKGYYVKSHF-QGZVFWFLSA-N 1 0 369.421 2.957 20 5 FFBDRO C[C@H]([NH2+][C@H]1CCN(C)[C@H]1c1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000574061728 518970022 /nfs/dbraw/zinc/97/00/22/518970022.db2.gz CMDPTIREVVXOPK-JVPBZIDWSA-N 1 0 368.437 2.957 20 5 FFBDRO C[C@H]([NH2+][C@@H]1CCN(C)[C@@H]1c1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000574061727 518970053 /nfs/dbraw/zinc/97/00/53/518970053.db2.gz CMDPTIREVVXOPK-GDIGMMSISA-N 1 0 368.437 2.957 20 5 FFBDRO COc1ccccc1OCC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000565520180 518995634 /nfs/dbraw/zinc/99/56/34/518995634.db2.gz YPELJBVQCLVOHA-HUUCEWRRSA-N 1 0 360.414 2.952 20 5 FFBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000589484936 519014687 /nfs/dbraw/zinc/01/46/87/519014687.db2.gz GFDCQFXTQMGVQK-QGZVFWFLSA-N 1 0 370.453 2.965 20 5 FFBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000565806734 519140737 /nfs/dbraw/zinc/14/07/37/519140737.db2.gz JJIVMJBOJKNIRH-AWEZNQCLSA-N 1 0 359.430 2.631 20 5 FFBDRO O=C(CC[NH2+]Cc1ccc2c(n1)CCCC2)Nc1ccccc1[N+](=O)[O-] ZINC000565829065 519153348 /nfs/dbraw/zinc/15/33/48/519153348.db2.gz SNFUHHFCMVFWSX-UHFFFAOYSA-N 1 0 354.410 2.987 20 5 FFBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000577636210 519181749 /nfs/dbraw/zinc/18/17/49/519181749.db2.gz MDBUTJBTVVFQIF-LJISPDSOSA-N 1 0 362.474 2.933 20 5 FFBDRO [NH3+]Cc1ccc(CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 ZINC000580448675 519183369 /nfs/dbraw/zinc/18/33/69/519183369.db2.gz QXLNQTYSBIZQKY-UHFFFAOYSA-N 1 0 354.410 2.584 20 5 FFBDRO CCc1ccc(S(=O)(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000568744803 519195085 /nfs/dbraw/zinc/19/50/85/519195085.db2.gz GFBMGVFMNBIOSU-CYBMUJFWSA-N 1 0 369.487 2.508 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N3CC[C@H]4C[N@H+](C)C[C@H]43)cc2[N+](=O)[O-])C1 ZINC000590447614 519236144 /nfs/dbraw/zinc/23/61/44/519236144.db2.gz ZLQTZWLYMKXIPQ-SIXWZSSISA-N 1 0 372.469 2.607 20 5 FFBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NC3CC([NH+](C)C)C3)cc2[N+](=O)[O-])C1 ZINC000590542028 519260599 /nfs/dbraw/zinc/26/05/99/519260599.db2.gz XDBFZBSXCABKHG-QBBMROGASA-N 1 0 374.485 2.900 20 5 FFBDRO COC(=O)c1c(Cl)c(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1[N+](=O)[O-] ZINC000590583840 519275050 /nfs/dbraw/zinc/27/50/50/519275050.db2.gz GVNWHMDBNYRMRE-MNOVXSKESA-N 1 0 353.806 2.708 20 5 FFBDRO C[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H](c1ccccc1)N(C)C ZINC000574686173 519281600 /nfs/dbraw/zinc/28/16/00/519281600.db2.gz KLRZEZRBFBWTDP-KNBMTAEXSA-N 1 0 373.453 2.616 20 5 FFBDRO C[C@@H]1C[C@@H](CC[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000580829239 519381801 /nfs/dbraw/zinc/38/18/01/519381801.db2.gz FRIIQUHYUXFBEB-IVSAIRAKSA-N 1 0 352.431 2.518 20 5 FFBDRO CC[C@@H]1C[N@H+](C)CCN1C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000574967515 519427195 /nfs/dbraw/zinc/42/71/95/519427195.db2.gz MXGLFMKUKRYLNJ-CQSZACIVSA-N 1 0 354.838 2.526 20 5 FFBDRO COC(=O)c1cc(NCC2(SC)CC[NH+](C)CC2)cc(C)c1[N+](=O)[O-] ZINC000583785317 519430809 /nfs/dbraw/zinc/43/08/09/519430809.db2.gz XGTGHKZLKJIRGO-UHFFFAOYSA-N 1 0 367.471 2.929 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CC[C@@H]2CCc3ccccc3N2)c1 ZINC000569214045 519437680 /nfs/dbraw/zinc/43/76/80/519437680.db2.gz LQBHCWABANCJJR-FUHWJXTLSA-N 1 0 371.437 2.741 20 5 FFBDRO COC(=O)COc1ccc(C[NH+]2CC(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000590967511 519462601 /nfs/dbraw/zinc/46/26/01/519462601.db2.gz PGELHWIYPYLHRD-UHFFFAOYSA-N 1 0 370.405 2.821 20 5 FFBDRO C[C@@H]1Oc2cc(F)ccc2[C@@H]1[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000578232774 519489342 /nfs/dbraw/zinc/48/93/42/519489342.db2.gz HVKNZYOEXODSFD-RRUGBERISA-N 1 0 362.357 2.585 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000591299704 519579713 /nfs/dbraw/zinc/57/97/13/519579713.db2.gz YVEJQCAKWLZDSC-KGLIPLIRSA-N 1 0 362.430 2.847 20 5 FFBDRO Cc1ccc(NCCCNC(=O)Nc2cccc(C[NH3+])c2)c([N+](=O)[O-])c1 ZINC000591309886 519584554 /nfs/dbraw/zinc/58/45/54/519584554.db2.gz LSYWQAMICIBCDG-UHFFFAOYSA-N 1 0 357.414 2.986 20 5 FFBDRO CN(C)c1cc[nH+]cc1C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000572417576 519602806 /nfs/dbraw/zinc/60/28/06/519602806.db2.gz AGYUCCGABRHYLY-UHFFFAOYSA-N 1 0 353.382 2.510 20 5 FFBDRO COC(=O)c1cnc(N2CCC[C@H]([NH+]3[C@H](C)CC[C@H]3C)C2)c([N+](=O)[O-])c1 ZINC000616176879 519933108 /nfs/dbraw/zinc/93/31/08/519933108.db2.gz MVIRGVRMXSMVPF-NFAWXSAZSA-N 1 0 362.430 2.618 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N3CCc4[nH]cnc4C3)cc2[N+](=O)[O-])CC1 ZINC000599948466 519966795 /nfs/dbraw/zinc/96/67/95/519966795.db2.gz IFVGCXQUGVYCEG-UHFFFAOYSA-N 1 0 369.425 2.753 20 5 FFBDRO [NH3+][C@@H]1CCC[C@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000591685122 519996081 /nfs/dbraw/zinc/99/60/81/519996081.db2.gz XJDSQRDSELNENZ-CMPLNLGQSA-N 1 0 370.247 2.534 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000591684118 519997447 /nfs/dbraw/zinc/99/74/47/519997447.db2.gz BZJYZHHYTOPKIZ-USXUVBGUSA-N 1 0 355.822 2.518 20 5 FFBDRO Cc1ccc2c(CC[NH2+]C[C@H](O)COc3ccccc3[N+](=O)[O-])c[nH]c2c1 ZINC000591728882 520014334 /nfs/dbraw/zinc/01/43/34/520014334.db2.gz ONLHYIBYWXYUHR-INIZCTEOSA-N 1 0 369.421 2.957 20 5 FFBDRO O=[N+]([O-])c1cccc(CC[NH2+]C[C@H](O)COCc2ccccc2Cl)c1 ZINC000591757939 520024923 /nfs/dbraw/zinc/02/49/23/520024923.db2.gz ANZJLQAAIZYBLF-KRWDZBQOSA-N 1 0 364.829 2.958 20 5 FFBDRO O=[N+]([O-])c1cnc(N2CCC[C@H]([NH+]3CCOCC3)CC2)c(C(F)(F)F)c1 ZINC000594601686 520047976 /nfs/dbraw/zinc/04/79/76/520047976.db2.gz YYOLJCXKGIJMGK-LBPRGKRZSA-N 1 0 374.363 2.700 20 5 FFBDRO CCOC(=O)Cc1ccc(NC2CC[NH+](CC3CC3)CC2)c([N+](=O)[O-])c1 ZINC000591901088 520076561 /nfs/dbraw/zinc/07/65/61/520076561.db2.gz PISNHCPEYAKTEO-UHFFFAOYSA-N 1 0 361.442 2.987 20 5 FFBDRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000597605160 520132416 /nfs/dbraw/zinc/13/24/16/520132416.db2.gz NJKWFHVXFNWQBD-CQSZACIVSA-N 1 0 369.849 2.960 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000597619528 520139800 /nfs/dbraw/zinc/13/98/00/520139800.db2.gz HKLCZRARLAGMLH-INIZCTEOSA-N 1 0 361.442 2.539 20 5 FFBDRO CN(c1ccccc1)c1ccc(C[NH2+][C@H]2CC(=O)N(C)C2)cc1[N+](=O)[O-] ZINC000608861153 520147762 /nfs/dbraw/zinc/14/77/62/520147762.db2.gz YGMASCPDPREXQT-HNNXBMFYSA-N 1 0 354.410 2.683 20 5 FFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1nn(C)c2ccccc12 ZINC000612829221 520170782 /nfs/dbraw/zinc/17/07/82/520170782.db2.gz CTSYTYZISPUFAO-CYBMUJFWSA-N 1 0 367.409 2.988 20 5 FFBDRO C[C@H]1C[C@H](C)CN(c2ccc(C(=O)NC[C@H]3CCC[N@@H+]3C)cc2[N+](=O)[O-])C1 ZINC000600273449 520171291 /nfs/dbraw/zinc/17/12/91/520171291.db2.gz VNUKBCPTSYDOIY-YQQAZPJKSA-N 1 0 374.485 2.901 20 5 FFBDRO CCOc1cc(Cn2cc(CC[NH+]3CCCCC3)nn2)ccc1[N+](=O)[O-] ZINC000603234887 520172282 /nfs/dbraw/zinc/17/22/82/520172282.db2.gz FLBOGVJNUMLFMF-UHFFFAOYSA-N 1 0 359.430 2.662 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(Cn2cc(C[NH2+]C3CCCCC3)nn2)c(F)c1 ZINC000603246224 520181039 /nfs/dbraw/zinc/18/10/39/520181039.db2.gz JCHRNAPTRKYKAW-UHFFFAOYSA-N 1 0 351.357 2.935 20 5 FFBDRO C[NH+](C)C1CCC2(CC1)CCN(C(=O)c1c(N)cccc1[N+](=O)[O-])CC2 ZINC000597704176 520186965 /nfs/dbraw/zinc/18/69/65/520186965.db2.gz MWWODZLKLPCORK-UHFFFAOYSA-N 1 0 360.458 2.904 20 5 FFBDRO CC(C)Oc1cc(C(=O)N2CCC[C@]3(CC[N@H+](C)C3)C2)ccc1[N+](=O)[O-] ZINC000597710363 520189846 /nfs/dbraw/zinc/18/98/46/520189846.db2.gz LCZYVACZSIUOFI-LJQANCHMSA-N 1 0 361.442 2.940 20 5 FFBDRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)C2 ZINC000597711898 520191980 /nfs/dbraw/zinc/19/19/80/520191980.db2.gz XAHRPXAMONRCED-LJQANCHMSA-N 1 0 363.433 2.956 20 5 FFBDRO CC[C@]1([NH2+]Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])CCOC1 ZINC000616865935 520192422 /nfs/dbraw/zinc/19/24/22/520192422.db2.gz AVIRLPSJMZRXOV-INIZCTEOSA-N 1 0 360.357 2.906 20 5 FFBDRO Cc1ccccc1C1([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000592140048 520214911 /nfs/dbraw/zinc/21/49/11/520214911.db2.gz WHCIJHBHHCWQIQ-UHFFFAOYSA-N 1 0 360.435 2.956 20 5 FFBDRO O=C1CC[C@@H](C[NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)N1 ZINC000594987244 520243869 /nfs/dbraw/zinc/24/38/69/520243869.db2.gz JIXGGBRDSVSDCR-AWEZNQCLSA-N 1 0 359.357 2.894 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H](C(C)C)C1(CO)CC=CC1 ZINC000592178250 520247515 /nfs/dbraw/zinc/24/75/15/520247515.db2.gz PRRLDKUWBLCEFE-GOSISDBHSA-N 1 0 361.442 2.785 20 5 FFBDRO COc1ccc(C(=O)NCC[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000595015991 520256096 /nfs/dbraw/zinc/25/60/96/520256096.db2.gz WWFNYLAPSPIMQQ-ZDUSSCGKSA-N 1 0 373.409 2.693 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000595019417 520258822 /nfs/dbraw/zinc/25/88/22/520258822.db2.gz MYYFZKRIMLMQRS-SGMGOOAPSA-N 1 0 356.444 2.610 20 5 FFBDRO Cn1cc(CN2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)c([N+](=O)[O-])n1 ZINC000603430725 520262432 /nfs/dbraw/zinc/26/24/32/520262432.db2.gz UNWHSWCAZYANGC-SJLPKXTDSA-N 1 0 357.458 2.500 20 5 FFBDRO C[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000595058823 520274004 /nfs/dbraw/zinc/27/40/04/520274004.db2.gz GOEXOSMGEFVTAR-FRCFQGQWSA-N 1 0 354.476 2.554 20 5 FFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1c(C2CC2)cnn1C ZINC000595076117 520283221 /nfs/dbraw/zinc/28/32/21/520283221.db2.gz FERXQHQRDWHFRY-GFCCVEGCSA-N 1 0 357.414 2.713 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000597854661 520283978 /nfs/dbraw/zinc/28/39/78/520283978.db2.gz KYLOGXJOFKQLCH-CQSZACIVSA-N 1 0 371.441 2.631 20 5 FFBDRO CCOc1cc(C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)c([N+](=O)[O-])cc1OC ZINC000597859019 520287334 /nfs/dbraw/zinc/28/73/34/520287334.db2.gz QAQXLZDICNFYBI-GFCCVEGCSA-N 1 0 365.430 2.605 20 5 FFBDRO CC(C)(C)N1C[C@H](C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1=O ZINC000595102818 520294294 /nfs/dbraw/zinc/29/42/94/520294294.db2.gz METPWFHYIDCUOT-ZNMIVQPWSA-N 1 0 363.462 2.512 20 5 FFBDRO CC(C)[C@H](CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[NH+]1CCC(C)CC1 ZINC000603612361 520328394 /nfs/dbraw/zinc/32/83/94/520328394.db2.gz TYAVLMKCPHFDSY-KRWDZBQOSA-N 1 0 373.457 2.957 20 5 FFBDRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000592340337 520340817 /nfs/dbraw/zinc/34/08/17/520340817.db2.gz ZANSMTNGFGDORK-LVSDBSMHSA-N 1 0 368.231 2.603 20 5 FFBDRO CC1(C)CC(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC(C)(C)[NH2+]1 ZINC000603726614 520349726 /nfs/dbraw/zinc/34/97/26/520349726.db2.gz KXPNPHVRHYWJJV-UHFFFAOYSA-N 1 0 371.441 2.820 20 5 FFBDRO O=C(NCc1cccc([N+](=O)[O-])c1)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000595233970 520365092 /nfs/dbraw/zinc/36/50/92/520365092.db2.gz CZATXHBUQBVYOL-KRWDZBQOSA-N 1 0 356.382 2.577 20 5 FFBDRO Cc1c(CNC(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)cccc1[N+](=O)[O-] ZINC000595246818 520369387 /nfs/dbraw/zinc/36/93/87/520369387.db2.gz QFHZMIMNEKMEDQ-GOSISDBHSA-N 1 0 370.409 2.886 20 5 FFBDRO [NH3+]C[C@H]1CCCc2ccc(C(=O)NCCc3ccccc3[N+](=O)[O-])cc21 ZINC000595250989 520371698 /nfs/dbraw/zinc/37/16/98/520371698.db2.gz VDFBWQLVVXHBGS-QGZVFWFLSA-N 1 0 353.422 2.946 20 5 FFBDRO C[C@@H]1CCCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H]1CCC[NH3+] ZINC000595258000 520377579 /nfs/dbraw/zinc/37/75/79/520377579.db2.gz HGRVKFAJFBFPJH-RDTXWAMCSA-N 1 0 371.441 2.760 20 5 FFBDRO COc1ccc(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000595268373 520380371 /nfs/dbraw/zinc/38/03/71/520380371.db2.gz HQPJGNXITAORKT-HZPDHXFCSA-N 1 0 373.384 2.618 20 5 FFBDRO C[C@@H](O)[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1F ZINC000592431066 520388278 /nfs/dbraw/zinc/38/82/78/520388278.db2.gz KXSNBVZMOUSHGH-KZULUSFZSA-N 1 0 361.373 2.774 20 5 FFBDRO O=[N+]([O-])c1cc(F)ccc1CN1CCC(CC[NH+]2CCOCC2)CC1 ZINC000595299441 520393307 /nfs/dbraw/zinc/39/33/07/520393307.db2.gz ZMCCKQSCTMJEDP-UHFFFAOYSA-N 1 0 351.422 2.668 20 5 FFBDRO Cc1cccc(C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)c1[N+](=O)[O-] ZINC000598062110 520404898 /nfs/dbraw/zinc/40/48/98/520404898.db2.gz JQVVRPISBGJWRV-UHFFFAOYSA-N 1 0 368.437 2.940 20 5 FFBDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])cn2C)CC1 ZINC000609696226 520409742 /nfs/dbraw/zinc/40/97/42/520409742.db2.gz QEXVBZIOFYQOQX-CQSZACIVSA-N 1 0 356.426 2.889 20 5 FFBDRO O=C1N[C@@H]2CCCC[C@H]2C[C@@H]1[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000595331483 520412177 /nfs/dbraw/zinc/41/21/77/520412177.db2.gz VRFJLGUXYUKBPU-KYNGSXCRSA-N 1 0 373.453 2.885 20 5 FFBDRO O=C(CC[NH2+]C[C@H]1CCN1C1CCCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000600751343 520448067 /nfs/dbraw/zinc/44/80/67/520448067.db2.gz PWSINWWHRBKPGE-MRXNPFEDSA-N 1 0 360.458 2.920 20 5 FFBDRO C[C@H](c1ccccc1)[C@@H](CO)[NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000613389174 520478230 /nfs/dbraw/zinc/47/82/30/520478230.db2.gz KDLCXKDYFPSDIQ-JKIFEVAISA-N 1 0 357.410 2.676 20 5 FFBDRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000604192004 520480223 /nfs/dbraw/zinc/48/02/23/520480223.db2.gz IQQNTGRAGUKRAM-QGZVFWFLSA-N 1 0 370.453 2.686 20 5 FFBDRO C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000598195841 520486074 /nfs/dbraw/zinc/48/60/74/520486074.db2.gz UJQLNCTVXARQPG-LJQANCHMSA-N 1 0 353.422 2.984 20 5 FFBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000595467031 520491309 /nfs/dbraw/zinc/49/13/09/520491309.db2.gz WZHCPFQSQPHATL-IBGZPJMESA-N 1 0 368.437 2.711 20 5 FFBDRO CC(C)(C)n1nnc(CC[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000595526507 520529696 /nfs/dbraw/zinc/52/96/96/520529696.db2.gz SRUVJHCDENZRAJ-OAHLLOKOSA-N 1 0 358.446 2.758 20 5 FFBDRO CC(C)[NH2+][C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000610090708 520535482 /nfs/dbraw/zinc/53/54/82/520535482.db2.gz MLCYVDBTQKDAJL-NSHDSACASA-N 1 0 370.247 2.960 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N(C)CCCC[NH+](C)C)cc1SC ZINC000610111975 520545862 /nfs/dbraw/zinc/54/58/62/520545862.db2.gz OGMFMDSUXKWQST-UHFFFAOYSA-N 1 0 355.460 2.739 20 5 FFBDRO CCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000598341599 520564793 /nfs/dbraw/zinc/56/47/93/520564793.db2.gz DLQOANIIEYDNCN-AAEUAGOBSA-N 1 0 355.822 2.616 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000610181022 520570666 /nfs/dbraw/zinc/57/06/66/520570666.db2.gz QCZZRXJYTLMSJX-UHFFFAOYSA-N 1 0 353.422 2.732 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@H](CO)Cc1ccccc1 ZINC000595599574 520582927 /nfs/dbraw/zinc/58/29/27/520582927.db2.gz YTASPECUXZLEBE-SFHVURJKSA-N 1 0 371.437 2.767 20 5 FFBDRO O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000604539058 520593617 /nfs/dbraw/zinc/59/36/17/520593617.db2.gz CMZZKLUFZBIVDA-UHFFFAOYSA-N 1 0 369.421 2.733 20 5 FFBDRO COC[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1cccc(OC)c1 ZINC000595684533 520648110 /nfs/dbraw/zinc/64/81/10/520648110.db2.gz OCXKDJWCHWGRAY-SFHVURJKSA-N 1 0 373.409 2.909 20 5 FFBDRO O=[N+]([O-])c1ccc2nccc(N3CCC[C@@H]([NH+]4CCOCC4)CC3)c2c1 ZINC000601188979 520679668 /nfs/dbraw/zinc/67/96/68/520679668.db2.gz DJGZZTOEQYNVQN-OAHLLOKOSA-N 1 0 356.426 2.834 20 5 FFBDRO O=C(Cc1ccc(F)cc1[N+](=O)[O-])NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000593011696 520682002 /nfs/dbraw/zinc/68/20/02/520682002.db2.gz SHCZWPVIRGAZLI-MRXNPFEDSA-N 1 0 361.373 2.823 20 5 FFBDRO CC[C@@H]1CN(C(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000598531618 520683903 /nfs/dbraw/zinc/68/39/03/520683903.db2.gz MQFDPWNGSNAWTF-DZGCQCFKSA-N 1 0 354.410 2.869 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H]2CCC[C@@H]2Cc2cnn(C)c2)c1 ZINC000595772380 520712984 /nfs/dbraw/zinc/71/29/84/520712984.db2.gz RXUFNRFGTZRKDF-RHSMWYFYSA-N 1 0 372.425 2.616 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH+]2CCC([C@H]3CCCCO3)CC2)c1 ZINC000595785225 520721909 /nfs/dbraw/zinc/72/19/09/520721909.db2.gz CSYYINXGHKLDEV-PKOBYXMFSA-N 1 0 364.442 2.616 20 5 FFBDRO CC(C)(C)NC(=O)C[NH+]1CCC(CNc2ccc([N+](=O)[O-])s2)CC1 ZINC000610573714 520744841 /nfs/dbraw/zinc/74/48/41/520744841.db2.gz WRBTYKHEVDPPKK-UHFFFAOYSA-N 1 0 354.476 2.695 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@@H](Oc2ccccc2)C1 ZINC000595833152 520756171 /nfs/dbraw/zinc/75/61/71/520756171.db2.gz SJNQRTKFADCFMA-MRXNPFEDSA-N 1 0 355.394 2.995 20 5 FFBDRO [NH3+][C@]12CCC[C@@H]1CN(C(=O)c1csc(-c3cccc([N+](=O)[O-])c3)n1)C2 ZINC000598669047 520775763 /nfs/dbraw/zinc/77/57/63/520775763.db2.gz GWASPNKZMLUQHT-PXAZEXFGSA-N 1 0 358.423 2.672 20 5 FFBDRO CCOc1cc(C(=O)N2[C@H](C)C[N@H+](C)[C@@H](C)[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000593187405 520811120 /nfs/dbraw/zinc/81/11/20/520811120.db2.gz KCGOVPXLLHNWAQ-FRRDWIJNSA-N 1 0 365.430 2.555 20 5 FFBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000601497228 520812761 /nfs/dbraw/zinc/81/27/61/520812761.db2.gz QXOMQRBCEUEKSO-UHFFFAOYSA-N 1 0 367.471 2.542 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N2[C@H](C)C[N@H+](C)[C@H](C)[C@H]2C)cc1SC ZINC000593189141 520813001 /nfs/dbraw/zinc/81/30/01/520813001.db2.gz WEUYUNRQPOQMLO-IJLUTSLNSA-N 1 0 367.471 2.878 20 5 FFBDRO CC(C)C[N@H+](C)CCCNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000593203361 520824258 /nfs/dbraw/zinc/82/42/58/520824258.db2.gz AJEGYZBJSDMINF-UHFFFAOYSA-N 1 0 373.457 2.703 20 5 FFBDRO C[NH2+]C[C@H](C)NC(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 ZINC000595981451 520844777 /nfs/dbraw/zinc/84/47/77/520844777.db2.gz CURMOAIXPTZPSQ-VIFPVBQESA-N 1 0 366.468 2.849 20 5 FFBDRO COc1cc(C[NH+](C)C)ccc1NC(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000601620066 520868420 /nfs/dbraw/zinc/86/84/20/520868420.db2.gz FYUWMOWJNMHHOK-UHFFFAOYSA-N 1 0 359.382 2.926 20 5 FFBDRO Cc1noc(CNc2ccccc2C[NH+]2CCC(CO)CC2)c1[N+](=O)[O-] ZINC000596034372 520869484 /nfs/dbraw/zinc/86/94/84/520869484.db2.gz ZLKSILIEKIUFIE-UHFFFAOYSA-N 1 0 360.414 2.708 20 5 FFBDRO NC(=O)c1cc(NC2CC[NH+](Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000596055795 520882262 /nfs/dbraw/zinc/88/22/62/520882262.db2.gz OBFNSESWFBVHMS-UHFFFAOYSA-N 1 0 354.410 2.770 20 5 FFBDRO CO[C@@H](C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000596065728 520890743 /nfs/dbraw/zinc/89/07/43/520890743.db2.gz JTOUNTOMKOEWRV-WMZOPIPTSA-N 1 0 352.431 2.519 20 5 FFBDRO CC(C)[NH2+][C@@H]1CCCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000610913348 520902176 /nfs/dbraw/zinc/90/21/76/520902176.db2.gz MFGVRUJQYDWNDW-CYBMUJFWSA-N 1 0 370.247 2.960 20 5 FFBDRO O=c1[nH]ccc(Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)c1[N+](=O)[O-] ZINC000596088241 520903856 /nfs/dbraw/zinc/90/38/56/520903856.db2.gz NHQSDXDQYAZVDA-UHFFFAOYSA-N 1 0 369.425 2.971 20 5 FFBDRO COC(=O)c1c(Cl)c(NCC2([NH+](C)C)CCOCC2)ccc1[N+](=O)[O-] ZINC000596127925 520929601 /nfs/dbraw/zinc/92/96/01/520929601.db2.gz HNUPTIACDLUPPL-UHFFFAOYSA-N 1 0 371.821 2.558 20 5 FFBDRO CC(C)C[NH+]1CCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000598978282 520955609 /nfs/dbraw/zinc/95/56/09/520955609.db2.gz MIDCYRPOKKEJNY-UHFFFAOYSA-N 1 0 370.247 2.771 20 5 FFBDRO CS[C@@H]1CN(c2c(Br)cccc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000596181327 520956890 /nfs/dbraw/zinc/95/68/90/520956890.db2.gz ZWABKNFUQKNYCS-VXGBXAGGSA-N 1 0 360.277 2.839 20 5 FFBDRO CC(C)N1CC[NH+](C2CCN(Cc3c(F)cccc3[N+](=O)[O-])CC2)CC1 ZINC000611181052 521026639 /nfs/dbraw/zinc/02/66/39/521026639.db2.gz CSIDOOWHSKQUKH-UHFFFAOYSA-N 1 0 364.465 2.724 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)nc1-c1ccccc1 ZINC000611181820 521027299 /nfs/dbraw/zinc/02/72/99/521027299.db2.gz KRISLMSWIFWTGK-WMZOPIPTSA-N 1 0 368.437 2.692 20 5 FFBDRO CC[N@H+](C[C@H]1CCOC1)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000611205369 521036925 /nfs/dbraw/zinc/03/69/25/521036925.db2.gz YHHNUCXOBQGPBK-NWDGAFQWSA-N 1 0 355.822 2.934 20 5 FFBDRO CC1([NH+]2CCOCC2)CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000599161042 521063339 /nfs/dbraw/zinc/06/33/39/521063339.db2.gz VHIGPJOGJMEWNO-UHFFFAOYSA-N 1 0 371.384 2.887 20 5 FFBDRO O=C(NC1CC1)c1ccc(NC[C@H]2CC[N@@H+]2C2CCCC2)c([N+](=O)[O-])c1 ZINC000599165783 521065730 /nfs/dbraw/zinc/06/57/30/521065730.db2.gz SLAOALGYGAJYJY-MRXNPFEDSA-N 1 0 358.442 2.916 20 5 FFBDRO Cc1cc(N[C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000599174268 521072282 /nfs/dbraw/zinc/07/22/82/521072282.db2.gz RULCRUXZOVZVRC-APWZRJJASA-N 1 0 366.377 2.916 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@]1(CO)CCc2ccccc21 ZINC000593653173 521132903 /nfs/dbraw/zinc/13/29/03/521132903.db2.gz VJMRHHBVEREWHM-HXUWFJFHSA-N 1 0 356.422 2.960 20 5 FFBDRO Cn1ncc2c1CC(C)(C)C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000596597943 521156763 /nfs/dbraw/zinc/15/67/63/521156763.db2.gz GSMHZGLEGVFYCT-UHFFFAOYSA-N 1 0 371.441 2.741 20 5 FFBDRO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000593708410 521168012 /nfs/dbraw/zinc/16/80/12/521168012.db2.gz PDVSWDFRNOZQLR-GUYCJALGSA-N 1 0 366.849 2.561 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC000596624210 521172162 /nfs/dbraw/zinc/17/21/62/521172162.db2.gz IAGSWQKFXYCDSC-CYBMUJFWSA-N 1 0 350.419 2.845 20 5 FFBDRO O=C(N[C@H]1C[C@@H]([NH+]2CCCC2)C1)c1ccc([N+](=O)[O-])cc1Br ZINC000602165516 521181686 /nfs/dbraw/zinc/18/16/86/521181686.db2.gz BLAXOKWGTDJIEI-KLPPZKSPSA-N 1 0 368.231 2.714 20 5 FFBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1C[C@@H]([NH+]2CCCC2)C1 ZINC000602165526 521182015 /nfs/dbraw/zinc/18/20/15/521182015.db2.gz CBDYCMYLQDOOFV-OKILXGFUSA-N 1 0 367.833 2.760 20 5 FFBDRO CC(C)C[N@H+](C)CCCNC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000593755226 521195314 /nfs/dbraw/zinc/19/53/14/521195314.db2.gz HYQDHIDHNZUHNK-UHFFFAOYSA-N 1 0 374.441 2.616 20 5 FFBDRO O=C(Nc1ccc(SCC[NH+]2CCCC2)cc1)c1c[nH]nc1[N+](=O)[O-] ZINC000593839648 521241625 /nfs/dbraw/zinc/24/16/25/521241625.db2.gz VBHWAFRNUZYHAI-UHFFFAOYSA-N 1 0 361.427 2.758 20 5 FFBDRO C[C@@H](NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000611614801 521249408 /nfs/dbraw/zinc/24/94/08/521249408.db2.gz ARIQBJYFRYMPBX-SNVBAGLBSA-N 1 0 357.357 2.656 20 5 FFBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000611645139 521263765 /nfs/dbraw/zinc/26/37/65/521263765.db2.gz WSRWJQINCRSNST-LBPRGKRZSA-N 1 0 357.357 2.800 20 5 FFBDRO CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2C[C@H]3C[NH2+]C[C@H]3C2)cc1OC ZINC000611661357 521269651 /nfs/dbraw/zinc/26/96/51/521269651.db2.gz WCKKWBMOTQXFGW-CWRNSKLLSA-N 1 0 363.458 2.680 20 5 FFBDRO O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1CCC[NH2+]CC1 ZINC000593902811 521283657 /nfs/dbraw/zinc/28/36/57/521283657.db2.gz XAYXZIGOGZNUMM-NSHDSACASA-N 1 0 374.363 2.531 20 5 FFBDRO C[C@@H]1CCCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])[C@H]1CC[NH3+] ZINC000593917400 521290120 /nfs/dbraw/zinc/29/01/20/521290120.db2.gz VNDDNOHVKJBKPU-OCCSQVGLSA-N 1 0 369.849 2.993 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](C)[C@@H]2CC[NH3+])cc1SC ZINC000593934343 521300109 /nfs/dbraw/zinc/30/01/09/521300109.db2.gz MLAQRKWELZPPPV-YPMHNXCESA-N 1 0 367.471 2.915 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000596842039 521325751 /nfs/dbraw/zinc/32/57/51/521325751.db2.gz ANIMKFUSENIZLR-UHFFFAOYSA-N 1 0 362.430 2.847 20 5 FFBDRO CC1(C)[C@H](c2ccc(F)cc2)CC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000599623940 521340126 /nfs/dbraw/zinc/34/01/26/521340126.db2.gz XEPDZYWLHDQZSA-SJORKVTESA-N 1 0 362.405 2.559 20 5 FFBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000599639699 521351063 /nfs/dbraw/zinc/35/10/63/521351063.db2.gz MZCJWPKRCFABJF-UVBSCNOISA-N 1 0 358.398 2.800 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H]1c1ccc(=O)[nH]n1 ZINC000599640401 521352739 /nfs/dbraw/zinc/35/27/39/521352739.db2.gz DQKIIXBHYIJRDQ-MRXNPFEDSA-N 1 0 371.397 2.565 20 5 FFBDRO O=[N+]([O-])c1ccn(CC[NH2+]C2(c3cccc(OC(F)(F)F)c3)CC2)n1 ZINC000594034792 521364208 /nfs/dbraw/zinc/36/42/08/521364208.db2.gz IQUDQOKEWKXISJ-UHFFFAOYSA-N 1 0 356.304 2.969 20 5 FFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000596912588 521376207 /nfs/dbraw/zinc/37/62/07/521376207.db2.gz JZXUQFJQQGNLNY-MRXNPFEDSA-N 1 0 364.446 2.732 20 5 FFBDRO CCC1([NH+]2CCOCC2)CCN(Cc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000599664842 521377226 /nfs/dbraw/zinc/37/72/26/521377226.db2.gz RBYFLOANXYDJPN-UHFFFAOYSA-N 1 0 363.458 2.680 20 5 FFBDRO C[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC2(CCCCC2)O1 ZINC000594057193 521377762 /nfs/dbraw/zinc/37/77/62/521377762.db2.gz ASZAZVITQIHWDQ-CVEARBPZSA-N 1 0 364.442 2.758 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCOc3ccc(F)cc3)CC2)cn1 ZINC000602511013 521386702 /nfs/dbraw/zinc/38/67/02/521386702.db2.gz KWPXBOBBTHYSAJ-UHFFFAOYSA-N 1 0 360.389 2.766 20 5 FFBDRO C[C@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)N1CCCC[C@@H]1C ZINC000602513219 521387455 /nfs/dbraw/zinc/38/74/55/521387455.db2.gz ARNDWKRDYSJGIZ-JKSUJKDBSA-N 1 0 361.490 2.811 20 5 FFBDRO COCc1cccc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1 ZINC000602513220 521388113 /nfs/dbraw/zinc/38/81/13/521388113.db2.gz DVDLODCDIBQFOI-UHFFFAOYSA-N 1 0 356.426 2.895 20 5 FFBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]CCN3CCc4ccccc4C3)nc2c1 ZINC000602512110 521388880 /nfs/dbraw/zinc/38/88/80/521388880.db2.gz PPKDOPFLFTUMSO-UHFFFAOYSA-N 1 0 352.394 2.884 20 5 FFBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]C3CCN(CC(F)(F)F)CC3)nc2c1 ZINC000602534078 521398164 /nfs/dbraw/zinc/39/81/64/521398164.db2.gz NKVLWZXJZCILSE-UHFFFAOYSA-N 1 0 358.320 2.852 20 5 FFBDRO [NH3+]C[C@@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[C@H]1C(F)(F)F ZINC000602542106 521402762 /nfs/dbraw/zinc/40/27/62/521402762.db2.gz TUBYKOARRSBODC-LDYMZIIASA-N 1 0 365.739 2.848 20 5 FFBDRO Cn1ncc(C(=O)OC(C)(C)C)c1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602544531 521403845 /nfs/dbraw/zinc/40/38/45/521403845.db2.gz KODQYPHWWGLYSO-UHFFFAOYSA-N 1 0 360.414 2.616 20 5 FFBDRO C[C@H]1CCC[C@H](C)N1CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602568888 521415500 /nfs/dbraw/zinc/41/55/00/521415500.db2.gz ZBVCXFVRPZFUII-HOTGVXAUSA-N 1 0 361.490 2.811 20 5 FFBDRO O=C1C[C@H](C[NH2+]CCc2ccc([N+](=O)[O-])cc2)CN1Cc1ccccc1 ZINC000602579831 521420755 /nfs/dbraw/zinc/42/07/55/521420755.db2.gz KVTTZTUJDJGWNI-GOSISDBHSA-N 1 0 353.422 2.776 20 5 FFBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2nnc3ccc(C(F)(F)F)cn32)cc1 ZINC000602590090 521427868 /nfs/dbraw/zinc/42/78/68/521427868.db2.gz BYEDLPIKYCSLEL-UHFFFAOYSA-N 1 0 365.315 2.989 20 5 FFBDRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000594195166 521461828 /nfs/dbraw/zinc/46/18/28/521461828.db2.gz CNIPVYMHZYGHGK-WBVHZDCISA-N 1 0 354.410 2.890 20 5 FFBDRO COC(=O)c1ccc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1 ZINC000602659626 521464606 /nfs/dbraw/zinc/46/46/06/521464606.db2.gz POVUYYIUMKVBGZ-UHFFFAOYSA-N 1 0 370.409 2.535 20 5 FFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1CNC[C@@H]1CCC[N@H+]1CCCO ZINC000602672044 521471991 /nfs/dbraw/zinc/47/19/91/521471991.db2.gz CPRYILCDMXJZOS-AWEZNQCLSA-N 1 0 361.364 2.550 20 5 FFBDRO CC(C)[C@@H](CO)[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C(C)C ZINC000602685889 521479670 /nfs/dbraw/zinc/47/96/70/521479670.db2.gz SQZXJVSDQUHAMK-MJGOQNOKSA-N 1 0 364.490 2.837 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H](C3CC3)[C@H]3CCCCO3)CC2)cn1 ZINC000602705109 521486786 /nfs/dbraw/zinc/48/67/86/521486786.db2.gz KTRJKTGVOMEYNQ-MJGOQNOKSA-N 1 0 360.458 2.896 20 5 FFBDRO Cc1c(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000599820705 521491261 /nfs/dbraw/zinc/49/12/61/521491261.db2.gz MPDCCYRTRYFCDL-MSOLQXFVSA-N 1 0 353.422 2.865 20 5 FFBDRO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000612121699 521494440 /nfs/dbraw/zinc/49/44/40/521494440.db2.gz LHDBLEULJFWQIL-UPJWGTAASA-N 1 0 362.348 2.997 20 5 FFBDRO C[NH+]1CCC(C)(CNC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)CC1 ZINC000597100219 521505961 /nfs/dbraw/zinc/50/59/61/521505961.db2.gz GVTYXPYIIGMBGH-UHFFFAOYSA-N 1 0 355.826 2.684 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(CN2CCC(C)([NH+]3CCCC3)CC2)c1 ZINC000602737302 521506516 /nfs/dbraw/zinc/50/65/16/521506516.db2.gz USLZXOFJCXBFQJ-UHFFFAOYSA-N 1 0 361.442 2.832 20 5 FFBDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3ccc(O[C@H]4CCOC4)cc3)CC2)n1 ZINC000597119736 521519421 /nfs/dbraw/zinc/51/94/21/521519421.db2.gz XSRDJVPGABPLMK-SFHVURJKSA-N 1 0 372.425 2.796 20 5 FFBDRO CC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])CC1CCN(c2ccccn2)CC1 ZINC000602780962 521529540 /nfs/dbraw/zinc/52/95/40/521529540.db2.gz FOBRZWKGXURKGY-UHFFFAOYSA-N 1 0 372.473 2.733 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000602804517 521541623 /nfs/dbraw/zinc/54/16/23/521541623.db2.gz IWKMNVLLIXDYKB-SFHVURJKSA-N 1 0 358.398 2.612 20 5 FFBDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NCc1cn(C)nc1[N+](=O)[O-] ZINC000602813413 521548372 /nfs/dbraw/zinc/54/83/72/521548372.db2.gz XKDCFXFFRSKBMC-HUUCEWRRSA-N 1 0 357.458 2.575 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](c1cccs1)C1(CO)CCC1 ZINC000602837572 521562797 /nfs/dbraw/zinc/56/27/97/521562797.db2.gz OXWUBFLUUIJYPG-HNNXBMFYSA-N 1 0 350.444 2.655 20 5 FFBDRO COc1cc(C[NH2+]C[C@H](c2ccnn2C)C(C)C)c([N+](=O)[O-])cc1OC ZINC000615943171 521584201 /nfs/dbraw/zinc/58/42/01/521584201.db2.gz NNNQXUWNPKSOIQ-AWEZNQCLSA-N 1 0 362.430 2.875 20 5 FFBDRO CCOC(=O)[C@@]1(C)CCC[C@H]1[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000597236197 521589935 /nfs/dbraw/zinc/58/99/35/521589935.db2.gz PBVUKDUFVIIZCY-AEFFLSMTSA-N 1 0 364.398 2.578 20 5 FFBDRO COc1ccc(C[NH2+][C@@H](c2ccncc2)C2(CO)CCC2)cc1[N+](=O)[O-] ZINC000597255677 521597876 /nfs/dbraw/zinc/59/78/76/521597876.db2.gz YORZPRDPEBANLV-SFHVURJKSA-N 1 0 357.410 2.992 20 5 FFBDRO COc1c[nH+]ccc1N1CCN(CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000619516679 521604903 /nfs/dbraw/zinc/60/49/03/521604903.db2.gz ZKHVBOGZXPEEMF-UHFFFAOYSA-N 1 0 372.425 2.590 20 5 FFBDRO O=[N+]([O-])c1cc2ccccc2nc1N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000616055630 521612759 /nfs/dbraw/zinc/61/27/59/521612759.db2.gz FFDJJPHWHSHTTF-MRXNPFEDSA-N 1 0 356.426 2.834 20 5 FFBDRO CC[NH+](CC)[C@@H](CNc1ccc(-c2nn[nH]n2)c([N+](=O)[O-])c1)CC(C)C ZINC000821180343 607345981 /nfs/dbraw/zinc/34/59/81/607345981.db2.gz BRHMJAAKGARSBL-CQSZACIVSA-N 1 0 361.450 2.943 20 5 FFBDRO COc1ccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1-c1nn[nH]n1 ZINC000821805971 599409604 /nfs/dbraw/zinc/40/96/04/599409604.db2.gz YPNWZOYXPBGJDL-NSHDSACASA-N 1 0 354.370 2.634 20 5 FFBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@@H]1CCCc2cc(-c3nn[nH]n3)ccc21 ZINC000826500242 608515074 /nfs/dbraw/zinc/51/50/74/608515074.db2.gz PQAXCKOWNPZEQD-QGZVFWFLSA-N 1 0 364.409 2.985 20 5 FFBDRO [NH3+]C1([C@@H]2CN(C(F)(F)c3cc([N+](=O)[O-])cnc3Cl)C[C@@H]2CF)CC1 ZINC001164630949 719117868 /nfs/dbraw/zinc/11/78/68/719117868.db2.gz XWLFQRMLYXEGGB-GZMMTYOYSA-N 1 0 364.755 2.701 20 5 FFBDRO Cc1nc(Cl)nc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)c1[N+](=O)[O-] ZINC001164725139 720333793 /nfs/dbraw/zinc/33/37/93/720333793.db2.gz LVLHYICCHOSDSM-KGLIPLIRSA-N 1 0 374.832 2.595 20 5 FFBDRO O=[N+]([O-])c1cc(N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)nc2[nH]ccc21 ZINC001164732951 720412592 /nfs/dbraw/zinc/41/25/92/720412592.db2.gz OWDBUASTGOEGRH-JKSUJKDBSA-N 1 0 364.409 2.719 20 5 FFBDRO C[NH+](C)[C@H]1CCCN(c2nc(C(F)(F)F)nc(Cl)c2[N+](=O)[O-])C1 ZINC001165036518 721896305 /nfs/dbraw/zinc/89/63/05/721896305.db2.gz SFDDBPIKFDUHDI-ZETCQYMHSA-N 1 0 353.732 2.587 20 5 FFBDRO C[N@@H+]1CCCC[C@@H]1CN1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000153862095 728789974 /nfs/dbraw/zinc/78/99/74/728789974.db2.gz ZPYZQYGHFMFQEK-MRXNPFEDSA-N 1 0 366.893 2.850 20 5 FFBDRO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CC[C@@H](Cc3nccs3)C1)OCCO2 ZINC000898071789 735309932 /nfs/dbraw/zinc/30/99/32/735309932.db2.gz SQAIOWXDKIQNKJ-LBPRGKRZSA-N 1 0 361.423 2.887 20 5 FFBDRO CON(C)C(=O)[C@H](CCSC)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000090462527 728450713 /nfs/dbraw/zinc/45/07/13/728450713.db2.gz ACLFSOQVTBENRW-JSGCOSHPSA-N 1 0 355.460 2.695 20 5 FFBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000129583690 728712142 /nfs/dbraw/zinc/71/21/42/728712142.db2.gz QZVXESKBNXAKOP-GFCCVEGCSA-N 1 0 358.826 2.727 20 5 FFBDRO COC(=O)CC[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C1CCOCC1 ZINC000174440585 729072235 /nfs/dbraw/zinc/07/22/35/729072235.db2.gz YSLDKBNOJJJJQH-UHFFFAOYSA-N 1 0 356.806 2.792 20 5 FFBDRO O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000424029101 729862069 /nfs/dbraw/zinc/86/20/69/729862069.db2.gz OXQFZQWSWIOQPY-QGZVFWFLSA-N 1 0 358.423 2.686 20 5 FFBDRO C[N@@H+]1CCCC[C@@H](CNC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000858292937 730421917 /nfs/dbraw/zinc/42/19/17/730421917.db2.gz OHRYEJKXRUDVKH-LBPRGKRZSA-N 1 0 354.838 2.779 20 5 FFBDRO CCC1([NH+]2CCOCC2)CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000860029493 730473280 /nfs/dbraw/zinc/47/32/80/730473280.db2.gz JQSOPIYKQBPRPI-UHFFFAOYSA-N 1 0 351.422 2.811 20 5 FFBDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000861374522 730606101 /nfs/dbraw/zinc/60/61/01/730606101.db2.gz VBVICJIYEDHHAE-LBPRGKRZSA-N 1 0 367.833 2.574 20 5 FFBDRO C[C@@]([NH3+])(C(=O)NC1CCC2(CC2(F)F)CC1)c1cccc([N+](=O)[O-])c1 ZINC000867986162 731249060 /nfs/dbraw/zinc/24/90/60/731249060.db2.gz YJSZCWGBFRNIED-NRAUKZCXSA-N 1 0 353.369 2.853 20 5 FFBDRO C[C@H](NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)C1CC[NH2+]CC1 ZINC000868009777 731251121 /nfs/dbraw/zinc/25/11/21/731251121.db2.gz KPOIRDXOZGUZIS-NSHDSACASA-N 1 0 360.439 2.836 20 5 FFBDRO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000868158332 731265256 /nfs/dbraw/zinc/26/52/56/731265256.db2.gz NWOTYHMXBWRDGK-OLZOCXBDSA-N 1 0 369.219 2.716 20 5 FFBDRO Cc1nn(CCC(=O)O[C@@H](C)C[C@@H]2CCCC[N@@H+]2C)c(C)c1[N+](=O)[O-] ZINC000870789667 731558205 /nfs/dbraw/zinc/55/82/05/731558205.db2.gz IVBKYGQYYIZNSY-WFASDCNBSA-N 1 0 352.435 2.604 20 5 FFBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1COC2(CCOCC2)O1 ZINC000872058525 731724798 /nfs/dbraw/zinc/72/47/98/731724798.db2.gz VMKDCBJPEABOPW-JSGCOSHPSA-N 1 0 368.455 2.889 20 5 FFBDRO CC(C)[C@H]1CN(Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)CC[N@@H+]1C ZINC000872737936 731823248 /nfs/dbraw/zinc/82/32/48/731823248.db2.gz XEOJTRWIYSUNBC-OAHLLOKOSA-N 1 0 351.838 2.827 20 5 FFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CC1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000873171565 731884369 /nfs/dbraw/zinc/88/43/69/731884369.db2.gz OIRLKQQWSWVADP-QRPVEOJJSA-N 1 0 350.440 2.553 20 5 FFBDRO Cc1nc(C2CC[NH2+]CC2)sc1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000876579461 732258655 /nfs/dbraw/zinc/25/86/55/732258655.db2.gz SFGQPLCLVIAJJT-UHFFFAOYSA-N 1 0 360.439 2.757 20 5 FFBDRO CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000877260119 732337854 /nfs/dbraw/zinc/33/78/54/732337854.db2.gz RWABQXLZQRPHMC-KRWDZBQOSA-N 1 0 351.472 2.910 20 5 FFBDRO O=C(N[C@@]12CCC[C@@H]1[NH2+]CC2)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000877393091 732356756 /nfs/dbraw/zinc/35/67/56/732356756.db2.gz PCRNBCQZUJPUCZ-WMLDXEAASA-N 1 0 358.423 2.733 20 5 FFBDRO CC(C)([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@@H]1CCCCO1 ZINC000879407254 732698023 /nfs/dbraw/zinc/69/80/23/732698023.db2.gz XTNQODMGDPPQMF-HNNXBMFYSA-N 1 0 353.394 3.000 20 5 FFBDRO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CCN1c1cc[nH+]cc1 ZINC000881631765 733076483 /nfs/dbraw/zinc/07/64/83/733076483.db2.gz DIHVTKFKUHEOLY-LBPRGKRZSA-N 1 0 360.801 2.994 20 5 FFBDRO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CCN1c1cc[nH+]cc1 ZINC000881631764 733076573 /nfs/dbraw/zinc/07/65/73/733076573.db2.gz DIHVTKFKUHEOLY-GFCCVEGCSA-N 1 0 360.801 2.994 20 5 FFBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]CC[C@@H]1CCCS1(=O)=O ZINC000883307245 733366068 /nfs/dbraw/zinc/36/60/68/733366068.db2.gz PNDZGEOZVIBMQE-XIRDDKMYSA-N 1 0 366.483 2.863 20 5 FFBDRO COCc1cc([N+](=O)[O-])ccc1N1C[C@@H](SC)[C@@H]([NH+]2CCCC2)C1 ZINC000782381152 738716053 /nfs/dbraw/zinc/71/60/53/738716053.db2.gz SNNHAHDDCSFXES-DLBZAZTESA-N 1 0 351.472 2.757 20 5 FFBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000885882495 733724838 /nfs/dbraw/zinc/72/48/38/733724838.db2.gz IMJRKOXSXRIFPK-AWEZNQCLSA-N 1 0 367.833 2.540 20 5 FFBDRO C[N@@H+]1C[C@@H]2CN(C(=O)CCc3ccc([N+](=O)[O-])cc3Cl)C[C@]2(C)C1 ZINC000887920943 733993191 /nfs/dbraw/zinc/99/31/91/733993191.db2.gz LQXMZBKVAYDVQZ-DYVFJYSZSA-N 1 0 351.834 2.591 20 5 FFBDRO C[N@@H+]1C[C@@H]2CN(C(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000887931637 733994739 /nfs/dbraw/zinc/99/47/39/733994739.db2.gz BQJAZJJPRDBLNK-ABAIWWIYSA-N 1 0 357.332 2.637 20 5 FFBDRO CCOc1cc(NC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000888834918 734103731 /nfs/dbraw/zinc/10/37/31/734103731.db2.gz WVKHUKQVPDHCDI-ZDUSSCGKSA-N 1 0 350.419 2.799 20 5 FFBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@@H](C3OCCO3)C2)c1Br ZINC000718980627 734377267 /nfs/dbraw/zinc/37/72/67/734377267.db2.gz QXRMJNVJUIDBSN-LLVKDONJSA-N 1 0 357.204 2.552 20 5 FFBDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000893601818 734725342 /nfs/dbraw/zinc/72/53/42/734725342.db2.gz JLIOJJYXIARYQW-LSDHHAIUSA-N 1 0 352.822 2.626 20 5 FFBDRO COc1c(O)ccc(C[NH2+]C[C@]2(C)OCCc3sccc32)c1[N+](=O)[O-] ZINC000894546276 734877253 /nfs/dbraw/zinc/87/72/53/734877253.db2.gz XXQVTGWDDOLZBF-KRWDZBQOSA-N 1 0 364.423 2.948 20 5 FFBDRO CC(C)(C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1COCC12OCCO2 ZINC000894855797 734928111 /nfs/dbraw/zinc/92/81/11/734928111.db2.gz CVDCRNXCULFQCR-OAHLLOKOSA-N 1 0 370.833 2.754 20 5 FFBDRO CCOCCOCC[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000897204459 735206108 /nfs/dbraw/zinc/20/61/08/735206108.db2.gz PYHZGLFGAAWCNX-UHFFFAOYSA-N 1 0 353.238 2.562 20 5 FFBDRO O=C(NCC[NH+]1CCCC1)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000900011396 735588738 /nfs/dbraw/zinc/58/87/38/735588738.db2.gz RQMQDLSDSNGPCL-UHFFFAOYSA-N 1 0 350.177 2.866 20 5 FFBDRO CC[N@@H+]1CCC[C@@H]1CNC(=S)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000751913261 735933451 /nfs/dbraw/zinc/93/34/51/735933451.db2.gz FRMFMMQBRAICAP-UKRRQHHQSA-N 1 0 350.488 2.913 20 5 FFBDRO COc1cc([C@H](C)[NH2+]CC2C[C@H]3CC[C@@H](C2)S3(=O)=O)cc([N+](=O)[O-])c1 ZINC000903216538 736056661 /nfs/dbraw/zinc/05/66/61/736056661.db2.gz CRYCJEARDDNGRP-OYMWLUAJSA-N 1 0 368.455 2.610 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC1(C2(O)CCOCC2)CC1 ZINC000903346635 736078355 /nfs/dbraw/zinc/07/83/55/736078355.db2.gz LSGISVRHZXJKOJ-CYBMUJFWSA-N 1 0 350.415 2.576 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CC[C@H]([NH+]2CCCC2)C1 ZINC000757702268 736420901 /nfs/dbraw/zinc/42/09/01/736420901.db2.gz KPTYSHAVBGEFFN-NSHDSACASA-N 1 0 353.806 2.709 20 5 FFBDRO CC[NH+](CC)CCN(CCOC)c1nc2ccc([N+](=O)[O-])cc2s1 ZINC000757769247 736426014 /nfs/dbraw/zinc/42/60/14/736426014.db2.gz WSVQULRNSIDUAY-UHFFFAOYSA-N 1 0 352.460 2.999 20 5 FFBDRO CS[C@@H]1CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000758790070 736521262 /nfs/dbraw/zinc/52/12/62/736521262.db2.gz FVIFAYDQCBUTDZ-LSDHHAIUSA-N 1 0 369.874 2.900 20 5 FFBDRO CC[C@H](C)[NH2+][C@@H](CNS(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccco1 ZINC000796047826 740096057 /nfs/dbraw/zinc/09/60/57/740096057.db2.gz LCNKTBHORRBSCO-JQWIXIFHSA-N 1 0 373.456 2.657 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@@H](O)c2ccc(Cl)c(F)c2)cc1 ZINC000759046631 736543232 /nfs/dbraw/zinc/54/32/32/736543232.db2.gz BWISKUJBZKTDPD-JKSUJKDBSA-N 1 0 354.765 2.744 20 5 FFBDRO CN(C)[C@@]1(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCSC1 ZINC000766439067 737229764 /nfs/dbraw/zinc/22/97/64/737229764.db2.gz MXJDUMMZQXKXBN-GOSISDBHSA-N 1 0 364.515 2.591 20 5 FFBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2ccc(Br)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000766557966 737241905 /nfs/dbraw/zinc/24/19/05/737241905.db2.gz XEXIGWVVAVIASH-QWRGUYRKSA-N 1 0 370.247 2.912 20 5 FFBDRO C[N@@H+]1CC[C@H]2CN(C(=O)CCc3ccc([N+](=O)[O-])cc3Cl)CC[C@@H]21 ZINC000913759902 737443874 /nfs/dbraw/zinc/44/38/74/737443874.db2.gz BXRJIGPGHPFKGE-BBRMVZONSA-N 1 0 351.834 2.733 20 5 FFBDRO CCC[C@@]1(CO)CCC[N@@H+]1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000769914408 737583887 /nfs/dbraw/zinc/58/38/87/737583887.db2.gz ZADDUJDXIURPOF-INIZCTEOSA-N 1 0 355.822 2.814 20 5 FFBDRO CCOC(=O)[C@]1(C(C)C)CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000773917934 737945205 /nfs/dbraw/zinc/94/52/05/737945205.db2.gz AXWLQBFNNVEIHR-SJLPKXTDSA-N 1 0 350.415 2.539 20 5 FFBDRO CCOC(=O)[C@@]1(C(C)C)CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000773917936 737945274 /nfs/dbraw/zinc/94/52/74/737945274.db2.gz AXWLQBFNNVEIHR-WMZOPIPTSA-N 1 0 350.415 2.539 20 5 FFBDRO CC[NH+](CC)CCOCCNC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000775596702 738104892 /nfs/dbraw/zinc/10/48/92/738104892.db2.gz NSGKYBCQEDNPNE-UHFFFAOYSA-N 1 0 358.826 2.728 20 5 FFBDRO CCOC(=O)CC[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776590750 738212255 /nfs/dbraw/zinc/21/22/55/738212255.db2.gz KGAMYCXIJCWFLW-WMLDXEAASA-N 1 0 350.415 2.684 20 5 FFBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923536425 738299240 /nfs/dbraw/zinc/29/92/40/738299240.db2.gz LJQWZWQHLPLHCW-SJKOYZFVSA-N 1 0 366.849 2.793 20 5 FFBDRO C[C@@H](CNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](C)C1 ZINC000778231252 738365262 /nfs/dbraw/zinc/36/52/62/738365262.db2.gz FKQDNZCHWLLUPM-STQMWFEESA-N 1 0 355.385 2.923 20 5 FFBDRO C[C@@H](CNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1)[N@@H+]1CCCC[C@@H]1C ZINC000778237136 738365635 /nfs/dbraw/zinc/36/56/35/738365635.db2.gz SWUMTKQWJZSJRH-QWRGUYRKSA-N 1 0 363.443 2.592 20 5 FFBDRO COc1ccc(C[N@H+](C)C[C@H](C)NC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000785468823 738966299 /nfs/dbraw/zinc/96/62/99/738966299.db2.gz NNOYIIAAWXAHNF-LBPRGKRZSA-N 1 0 353.419 2.948 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000930318035 739086416 /nfs/dbraw/zinc/08/64/16/739086416.db2.gz ZPSUHYLPKYMRNA-UKRRQHHQSA-N 1 0 364.471 2.913 20 5 FFBDRO O=[N+]([O-])c1cccc(Br)c1C[NH2+]C1(CO)CCSCC1 ZINC000930696802 739149778 /nfs/dbraw/zinc/14/97/78/739149778.db2.gz JHXAHUWCKVWKBM-UHFFFAOYSA-N 1 0 361.261 2.705 20 5 FFBDRO C[N@@H+]1C[C@H]2CCN(C(=O)Nc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)[C@H]2C1 ZINC000930767460 739159917 /nfs/dbraw/zinc/15/99/17/739159917.db2.gz GOKOQHWBMVSXDQ-RNCFNFMXSA-N 1 0 358.320 2.781 20 5 FFBDRO C[C@@H]1C[N@@H+](C[C@H]2CCCN2Cc2ccc([N+](=O)[O-])c(F)c2)C[C@H](C)O1 ZINC000788477196 739248570 /nfs/dbraw/zinc/24/85/70/739248570.db2.gz VCPCLEALYNAYQH-IJEWVQPXSA-N 1 0 351.422 2.808 20 5 FFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000931725544 739318957 /nfs/dbraw/zinc/31/89/57/739318957.db2.gz ZUNHPEZXHJRWBZ-BZPMIXESSA-N 1 0 366.849 2.744 20 5 FFBDRO Cc1noc(CN2C[C@@H](C(=O)OC(C)(C)C)[C@H](C3CC3)C2)c1[N+](=O)[O-] ZINC000931850226 739339625 /nfs/dbraw/zinc/33/96/25/739339625.db2.gz DOVUHYLPTNKIIW-QWHCGFSZSA-N 1 0 351.403 2.691 20 5 FFBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000790556412 739469182 /nfs/dbraw/zinc/46/91/82/739469182.db2.gz GDBKJTQHYZVAOG-NWDGAFQWSA-N 1 0 357.813 2.919 20 5 FFBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)C1 ZINC000933794835 739690891 /nfs/dbraw/zinc/69/08/91/739690891.db2.gz SENOROLNGJXVOE-SECBINFHSA-N 1 0 358.801 2.526 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000799235198 740401432 /nfs/dbraw/zinc/40/14/32/740401432.db2.gz VARYVNKWEPXILV-ZDUSSCGKSA-N 1 0 350.419 2.989 20 5 FFBDRO C[C@H]1CCC[C@@](CNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)([NH+](C)C)C1 ZINC000801834772 740656218 /nfs/dbraw/zinc/65/62/18/740656218.db2.gz VWUXRWFUPGRYSO-APPDUMDISA-N 1 0 352.410 2.556 20 5 FFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](N2CCOCC2)C(F)(F)F)cc1Cl ZINC000809711451 741335361 /nfs/dbraw/zinc/33/53/61/741335361.db2.gz XKGZJJBNUJBQCM-CYBMUJFWSA-N 1 0 367.755 2.601 20 5 FFBDRO CC1(C)CN(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000809986035 741369853 /nfs/dbraw/zinc/36/98/53/741369853.db2.gz WPDFICVTEXYTJX-UHFFFAOYSA-N 1 0 362.257 2.790 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)OCCOc2cccc([N+](=O)[O-])c2)C1 ZINC000811445908 741522712 /nfs/dbraw/zinc/52/27/12/741522712.db2.gz AVMGCCKQJGZOOQ-QGZVFWFLSA-N 1 0 354.378 2.729 20 5 FFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](C2CC2)C2(CO)CCOCC2)cc1Cl ZINC000816656688 742051182 /nfs/dbraw/zinc/05/11/82/742051182.db2.gz AUUPMHIIYSOOOY-INIZCTEOSA-N 1 0 354.834 2.906 20 5 FFBDRO CCC(CC)(C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)SC ZINC000819118570 742339173 /nfs/dbraw/zinc/33/91/73/742339173.db2.gz IJKRZNFJVDJOCI-UHFFFAOYSA-N 1 0 360.501 2.880 20 5 FFBDRO CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)NCCC[N@@H+](C)C(C)C ZINC000822487262 742741771 /nfs/dbraw/zinc/74/17/71/742741771.db2.gz NGSNHHLLGNAWIA-UHFFFAOYSA-N 1 0 370.837 2.667 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)CNC(=O)OC(C)(C)C ZINC000824287588 743049836 /nfs/dbraw/zinc/04/98/36/743049836.db2.gz SWOUHPLFRKNDOL-LBPRGKRZSA-N 1 0 353.419 2.996 20 5 FFBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@H]1CS(=O)(=O)c2ccccc21 ZINC000824515166 743097376 /nfs/dbraw/zinc/09/73/76/743097376.db2.gz FHWDTQBYTMQZSG-LBPRGKRZSA-N 1 0 366.826 2.909 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N2CCC(n3ccnc3)CC2)c1F ZINC000824856258 743165231 /nfs/dbraw/zinc/16/52/31/743165231.db2.gz UTLDRNRZCOPHPO-UHFFFAOYSA-N 1 0 350.325 2.855 20 5 FFBDRO CCCN(C(=O)NCc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CC[N@H+](C)C1 ZINC000826677503 743421398 /nfs/dbraw/zinc/42/13/98/743421398.db2.gz MSDACGXUEPYNQS-AWEZNQCLSA-N 1 0 354.838 2.874 20 5 FFBDRO Cc1cc(C[NH2+]C[C@H]2CC[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c(C)s1 ZINC001050325431 743510717 /nfs/dbraw/zinc/51/07/17/743510717.db2.gz CXALUYSFNYRFEV-MWQQHZPXSA-N 1 0 365.499 2.795 20 5 FFBDRO C[C@H]1C[NH+](CCCCNC(=O)c2cc([N+](=O)[O-])ccc2Cl)C[C@H](C)O1 ZINC000829801480 745262009 /nfs/dbraw/zinc/26/20/09/745262009.db2.gz QGOMKRHTMJNHLW-STQMWFEESA-N 1 0 369.849 2.867 20 5 FFBDRO O=C(CC[N@@H+]1CCC[C@@]2(CCOC2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000832347688 745681506 /nfs/dbraw/zinc/68/15/06/745681506.db2.gz AHMXFYZKECPNCY-QGZVFWFLSA-N 1 0 351.378 2.565 20 5 FFBDRO CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)N[C@@H](C)C[N@@H+](C)C(C)C ZINC000832870034 745765002 /nfs/dbraw/zinc/76/50/02/745765002.db2.gz CWRGWLMWCYZMGB-JTQLQIEISA-N 1 0 370.837 2.665 20 5 FFBDRO CC(C)(C)OC(=O)[C@]1(C)CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000839106002 746775825 /nfs/dbraw/zinc/77/58/25/746775825.db2.gz ZGIAADXVXYTMFI-MAUKXSAKSA-N 1 0 350.415 2.682 20 5 FFBDRO O=[N+]([O-])c1cc(C[NH2+]C2(CO)CCSCC2)ccc1Br ZINC000839178162 746794894 /nfs/dbraw/zinc/79/48/94/746794894.db2.gz ZNYGLSJQOBIIMY-UHFFFAOYSA-N 1 0 361.261 2.705 20 5 FFBDRO O=C(CN1CCC[C@@H]2COCC[C@H]21)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839502358 746841434 /nfs/dbraw/zinc/84/14/34/746841434.db2.gz HWBFEIVNZFLRTC-BXUZGUMPSA-N 1 0 353.806 2.688 20 5 FFBDRO O=C(CN1CCC[C@H]2COCC[C@H]21)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839502361 746841468 /nfs/dbraw/zinc/84/14/68/746841468.db2.gz HWBFEIVNZFLRTC-SMDDNHRTSA-N 1 0 353.806 2.688 20 5 FFBDRO C[NH+]1CCC(C(=O)N[C@@H](c2cccc([N+](=O)[O-])c2F)C(F)(F)F)CC1 ZINC000839864393 746946276 /nfs/dbraw/zinc/94/62/76/746946276.db2.gz SCXRJOJHUUANLZ-ZDUSSCGKSA-N 1 0 363.311 2.795 20 5 FFBDRO CC(C)[C@H](C(=O)OCc1cccc([N+](=O)[O-])c1Br)[NH+](C)C ZINC000840520687 747113833 /nfs/dbraw/zinc/11/38/33/747113833.db2.gz HLTHHTAHSIEIPO-CYBMUJFWSA-N 1 0 359.220 2.987 20 5 FFBDRO C[C@H]([NH2+]CC(C)(C)[C@H]1COCC12OCCO2)c1cccc([N+](=O)[O-])c1 ZINC000840805128 747188579 /nfs/dbraw/zinc/18/85/79/747188579.db2.gz YXFHHHRGKFTYQT-XJKSGUPXSA-N 1 0 350.415 2.661 20 5 FFBDRO C[C@H]([NH2+]CC(C)(C)[C@@H]1COCC12OCCO2)c1cccc([N+](=O)[O-])c1 ZINC000840805125 747188609 /nfs/dbraw/zinc/18/86/09/747188609.db2.gz YXFHHHRGKFTYQT-BBRMVZONSA-N 1 0 350.415 2.661 20 5 FFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@H](O)c2cc(F)cc(Cl)c2)c1 ZINC000843112341 747774491 /nfs/dbraw/zinc/77/44/91/747774491.db2.gz QTZXOILLUGUHEI-HOTGVXAUSA-N 1 0 354.765 2.744 20 5 FFBDRO C[NH2+]C[C@@H]1CCCN([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000843347344 747814291 /nfs/dbraw/zinc/81/42/91/747814291.db2.gz UVLOFQQSZPNXEH-NEPJUHHUSA-N 1 0 354.838 2.507 20 5 FFBDRO O=C(CN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000843362821 747817835 /nfs/dbraw/zinc/81/78/35/747817835.db2.gz IBNMNZHICOUHID-JSGCOSHPSA-N 1 0 366.849 2.651 20 5 FFBDRO O=C(CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000843388225 747822192 /nfs/dbraw/zinc/82/21/92/747822192.db2.gz LPLSFYWREVXEDF-STQMWFEESA-N 1 0 366.849 2.508 20 5 FFBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000843484001 747843671 /nfs/dbraw/zinc/84/36/71/747843671.db2.gz GWMCFPOFIXYRGP-NEPJUHHUSA-N 1 0 369.824 2.778 20 5 FFBDRO C[C@H]([C@H](OC(=O)C1CC[NH+](C2CC2)CC1)c1ccccc1F)[N+](=O)[O-] ZINC000845881679 748344085 /nfs/dbraw/zinc/34/40/85/748344085.db2.gz MBVKUWJFCFNSOZ-PXAZEXFGSA-N 1 0 350.390 2.950 20 5 FFBDRO C[C@H](CCNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)[NH+](C)C ZINC000849429231 749149972 /nfs/dbraw/zinc/14/99/72/749149972.db2.gz LNTLMKWRIPLVKP-MRVPVSSYSA-N 1 0 370.258 2.520 20 5 FFBDRO C[S@](=O)[C@@H]1CCC[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000850500455 749376439 /nfs/dbraw/zinc/37/64/39/749376439.db2.gz DMNOBMFVHJKSOL-JTJQLJSMSA-N 1 0 365.499 2.843 20 5 FFBDRO C[NH+](C)CCC[C@@H]1CN(c2ccc([N+](=O)[O-])cc2Br)CCO1 ZINC000853991030 750220417 /nfs/dbraw/zinc/22/04/17/750220417.db2.gz ZUDJSHRELDXJMD-CYBMUJFWSA-N 1 0 372.263 2.904 20 5 FFBDRO C[NH2+]C[C@@H]1CCCCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000165869697 845692489 /nfs/dbraw/zinc/69/24/89/845692489.db2.gz WHSUFDPZAFRUND-LBPRGKRZSA-N 1 0 356.220 2.571 20 5 FFBDRO COC(=O)c1cnc(NC[C@@H](c2ccc(C)cc2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000190170325 971103365 /nfs/dbraw/zinc/10/33/65/971103365.db2.gz KATKVMIHOHSKRR-INIZCTEOSA-N 1 0 358.398 2.800 20 5 FFBDRO Cc1cc(NCc2ccc(-c3nn[nH]n3)cc2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000826271605 947786508 /nfs/dbraw/zinc/78/65/08/947786508.db2.gz YQINKISMFXQNMM-UHFFFAOYSA-N 1 0 361.365 2.666 20 5 FFBDRO O=[N+]([O-])c1cnc(N2CCC(c3ccccc3)([NH+]3CCCC3)CC2)nc1 ZINC000896838824 971830279 /nfs/dbraw/zinc/83/02/79/971830279.db2.gz PHMSFBXDCIZHMR-UHFFFAOYSA-N 1 0 353.426 2.976 20 5 FFBDRO O=C1CN([C@@H]2CC[N@@H+](CCc3ccc([N+](=O)[O-])cc3)C2)c2ccccc2N1 ZINC000759893493 971910757 /nfs/dbraw/zinc/91/07/57/971910757.db2.gz CSMDIYRRQPTEDZ-QGZVFWFLSA-N 1 0 366.421 2.670 20 5 FFBDRO CC[NH+]1CCC(n2nccc2NC(=O)c2cc([N+](=O)[O-])ccc2F)CC1 ZINC000825575480 1013139765 /nfs/dbraw/zinc/13/97/65/1013139765.db2.gz NATVZTCLUOCMLW-UHFFFAOYSA-N 1 0 361.377 2.840 20 5 FFBDRO O=[N+]([O-])c1cc(C(F)(F)n2ccnc2[C@@H]2CCC[NH2+]C2)cnc1Cl ZINC001167056027 959137387 /nfs/dbraw/zinc/13/73/87/959137387.db2.gz NRONQMHZOZUGHX-SECBINFHSA-N 1 0 357.748 2.904 20 5 FFBDRO C[NH+](C)CCN(C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C1CCCC1 ZINC000134589056 959917608 /nfs/dbraw/zinc/91/76/08/959917608.db2.gz FFPPRRFBQAEZMD-UHFFFAOYSA-N 1 0 358.442 2.951 20 5 FFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000134886706 960091046 /nfs/dbraw/zinc/09/10/46/960091046.db2.gz ZJZYVWCVHAPDSK-CZUORRHYSA-N 1 0 354.410 2.691 20 5 FFBDRO O=C(NCC1([NH2+]Cc2ccc(C3CCCC3)cc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001269411483 964131924 /nfs/dbraw/zinc/13/19/24/964131924.db2.gz JEXZEDFOYFWFNZ-QZTJIDSGSA-N 1 0 357.454 2.748 20 5 FFBDRO C[NH+]1CCC2(CC1)CN(c1c3cc(F)ccc3ncc1[N+](=O)[O-])CCO2 ZINC000894358309 964993011 /nfs/dbraw/zinc/99/30/11/964993011.db2.gz DYNXEOUBCQUGKQ-UHFFFAOYSA-N 1 0 360.389 2.583 20 5 FFBDRO CN(C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H]1CCC[N@H+](C)C1 ZINC000894477401 965405486 /nfs/dbraw/zinc/40/54/86/965405486.db2.gz PYFSUVKYHMQBHT-ZDUSSCGKSA-N 1 0 374.363 2.849 20 5 FFBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)N3CCC[C@H]3C3CC3)c2)CC1 ZINC000934042902 965541622 /nfs/dbraw/zinc/54/16/22/965541622.db2.gz CKFDXSRCBCZKBL-KRWDZBQOSA-N 1 0 373.457 2.753 20 5 FFBDRO CC[C@H]1CCCN1C(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000934043614 965541855 /nfs/dbraw/zinc/54/18/55/965541855.db2.gz MCULXMRXQUCUTI-AWEZNQCLSA-N 1 0 361.446 2.753 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(-n2cc(CC[NH3+])c3cc(O)ccc32)c1 ZINC001167986600 965913244 /nfs/dbraw/zinc/91/32/44/965913244.db2.gz BIIVQKCBLHCDPI-UHFFFAOYSA-N 1 0 355.350 2.532 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134902440 965942631 /nfs/dbraw/zinc/94/26/31/965942631.db2.gz VMHXCINQZRTMNV-NVXWUHKLSA-N 1 0 372.469 2.790 20 5 FFBDRO Cc1c(C(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000065674489 968093784 /nfs/dbraw/zinc/09/37/84/968093784.db2.gz RMCCUNUMVXLOET-NWDGAFQWSA-N 1 0 364.402 2.662 20 5 FFBDRO C[C@@H](C(=O)N1CCN(c2cc[nH+]cc2)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000895267961 968875301 /nfs/dbraw/zinc/87/53/01/968875301.db2.gz JQQSQFWHCJMFCU-HUUCEWRRSA-N 1 0 354.410 2.831 20 5 FFBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000708701188 968879038 /nfs/dbraw/zinc/87/90/38/968879038.db2.gz HHHJWDYSWRLAOF-GOEBONIOSA-N 1 0 368.437 2.675 20 5 FFBDRO N=c1cc(C[NH3+])ccn1-c1cc([N+](=O)[O-])cc2cc(Br)cnc21 ZINC001167692853 969379673 /nfs/dbraw/zinc/37/96/73/969379673.db2.gz VWEWRZHLBZVGLA-UHFFFAOYSA-N 1 0 374.198 2.634 20 5 FFBDRO C[C@H]1C[C@H](Oc2cccc(I)c2[N+](=O)[O-])CC[NH2+]1 ZINC001218060459 969414772 /nfs/dbraw/zinc/41/47/72/969414772.db2.gz MQROZAMSZGDFMR-DTWKUNHWSA-N 1 0 362.167 2.719 20 5 FFBDRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000874828467 1013910068 /nfs/dbraw/zinc/91/00/68/1013910068.db2.gz GZEHSYMZCCZGIV-IAGOWNOFSA-N 1 0 366.421 2.966 20 5 FFBDRO C[C@H]1C[NH2+]CC[C@H]1Oc1ccc([N+](=O)[O-])cc1I ZINC001218421540 970102581 /nfs/dbraw/zinc/10/25/81/970102581.db2.gz XUVMGFHFVBFVJR-GZMMTYOYSA-N 1 0 362.167 2.576 20 5 FFBDRO COc1cccc(N2CC[C@@H]([NH2+]Cc3ccc(O)c(OC)c3[N+](=O)[O-])C2)c1 ZINC000892860496 970333722 /nfs/dbraw/zinc/33/37/22/970333722.db2.gz HCPDDGUYQWTAHY-CQSZACIVSA-N 1 0 373.409 2.686 20 5 FFBDRO CCOC(=O)Cc1ccc(N2CC[C@H](C[NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000825770410 1013984275 /nfs/dbraw/zinc/98/42/75/1013984275.db2.gz MPMAZEXFLMTCSY-MRXNPFEDSA-N 1 0 361.442 2.623 20 5 FFBDRO C[C@@H](CNC(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2)c1ccccc1[N+](=O)[O-] ZINC000897059249 973205145 /nfs/dbraw/zinc/20/51/45/973205145.db2.gz BGQIRQMUGXXNFE-KXBFYZLASA-N 1 0 360.458 2.826 20 5 FFBDRO Cc1ncccc1OC[C@H]1CCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000842173442 976715113 /nfs/dbraw/zinc/71/51/13/976715113.db2.gz PSEPUHRJAQKREQ-QZTJIDSGSA-N 1 0 357.410 2.875 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H]([NH2+]C3CCOCC3)C2)c1C ZINC000899199116 977009081 /nfs/dbraw/zinc/00/90/81/977009081.db2.gz BPCSWSVQMVUHKR-INIZCTEOSA-N 1 0 361.442 2.585 20 5 FFBDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC000899199348 977009622 /nfs/dbraw/zinc/00/96/22/977009622.db2.gz HDNQCHXQMVLBMW-JKSUJKDBSA-N 1 0 354.410 2.639 20 5 FFBDRO C[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(-n2cncn2)cc1 ZINC000178565252 977349915 /nfs/dbraw/zinc/34/99/15/977349915.db2.gz MAARUHSQZPJPQT-FZKQIMNGSA-N 1 0 353.382 2.560 20 5 FFBDRO Cc1ccc(C[N@@H+]2C[C@@]3(C)CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C[C@@]3(C)C2)c(C)c1 ZINC000982279043 977376331 /nfs/dbraw/zinc/37/63/31/977376331.db2.gz ZVOPKEUZVDLWOF-UKAVVXHISA-N 1 0 371.481 2.639 20 5 FFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCCN(c3ccccc3F)CC2)c1 ZINC000796579780 1014403092 /nfs/dbraw/zinc/40/30/92/1014403092.db2.gz VTVCKJJHRIKUCU-IBGZPJMESA-N 1 0 359.401 2.980 20 5 FFBDRO C[C@@H](CCNC(=O)c1ccc(N)c([N+](=O)[O-])c1)[N@H+](C)Cc1ccccc1 ZINC000174411332 977752669 /nfs/dbraw/zinc/75/26/69/977752669.db2.gz UPPFAQORXFNGKJ-AWEZNQCLSA-N 1 0 356.426 2.817 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000876943856 1014427174 /nfs/dbraw/zinc/42/71/74/1014427174.db2.gz HLNQGGOLJZJVJB-YQQAZPJKSA-N 1 0 361.442 2.570 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)c1 ZINC001211759077 977830933 /nfs/dbraw/zinc/83/09/33/977830933.db2.gz UGKKRSYTIJPAOQ-MRXNPFEDSA-N 1 0 369.487 2.610 20 5 FFBDRO C[C@@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)c1ccc(N2CCCC2=O)cc1 ZINC000876973303 1014438419 /nfs/dbraw/zinc/43/84/19/1014438419.db2.gz YZPCAZHXMNNELI-BZOOQXSSSA-N 1 0 369.425 2.972 20 5 FFBDRO O=[N+]([O-])c1cnc2ccc(F)cc2c1N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000894178905 978116885 /nfs/dbraw/zinc/11/68/85/978116885.db2.gz QKWIEJTXOGTMFQ-UHFFFAOYSA-N 1 0 374.416 2.973 20 5 FFBDRO CCCCNC(=O)C1([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000178872247 978256824 /nfs/dbraw/zinc/25/68/24/978256824.db2.gz OHFWNCKKZUWAIB-QGZVFWFLSA-N 1 0 363.458 2.837 20 5 FFBDRO CC(=O)N1CC[C@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)c2ccccc21 ZINC000877120667 1014480718 /nfs/dbraw/zinc/48/07/18/1014480718.db2.gz LUBCMVNRTKSOOI-KVULBXGLSA-N 1 0 355.398 2.582 20 5 FFBDRO COc1nc(C)c(N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC001167944085 978445849 /nfs/dbraw/zinc/44/58/49/978445849.db2.gz XNDUQGSWQWOECV-LBPRGKRZSA-N 1 0 368.434 2.558 20 5 FFBDRO CC(C)(C)OC(=O)[C@H](CCCC[NH3+])Nc1ccc2nc[nH]c2c1[N+](=O)[O-] ZINC001167944684 978454701 /nfs/dbraw/zinc/45/47/01/978454701.db2.gz JKAPFQBOYZZMQF-ZDUSSCGKSA-N 1 0 363.418 2.722 20 5 FFBDRO Cc1c(C(=O)NC[C@H](C)C[NH+]2CCCC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000126418913 1014521105 /nfs/dbraw/zinc/52/11/05/1014521105.db2.gz PCUVEVBQKAIYJB-NSHDSACASA-N 1 0 364.402 2.582 20 5 FFBDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2c(C)c(C)ccc2[N+](=O)[O-])C1 ZINC001126933382 979659456 /nfs/dbraw/zinc/65/94/56/979659456.db2.gz NRGHDFFOTJGFJI-MRXNPFEDSA-N 1 0 363.458 2.785 20 5 FFBDRO CO[C@@](C)(C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)COCc1ccccc1 ZINC000877625124 1014650332 /nfs/dbraw/zinc/65/03/32/1014650332.db2.gz VZUKJHAKVQGFJJ-TVPLGVNVSA-N 1 0 374.441 2.706 20 5 FFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@H](O)c3cccc4ccccc43)C2)c1 ZINC000877624941 1014651297 /nfs/dbraw/zinc/65/12/97/1014651297.db2.gz JDPCXRMDMQWBEI-ZOJXTTQQSA-N 1 0 352.394 2.971 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CCC([C@@H](O)c2ccnn2C)CC1 ZINC000877647805 1014660620 /nfs/dbraw/zinc/66/06/20/1014660620.db2.gz UFUBXYKJPGVHND-LJQANCHMSA-N 1 0 358.442 2.891 20 5 FFBDRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000729607721 980942174 /nfs/dbraw/zinc/94/21/74/980942174.db2.gz VPIORUGBQQKQDW-UHFFFAOYSA-N 1 0 356.426 2.998 20 5 FFBDRO COC(=O)CCn1nc(C)c(C[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])c1C ZINC000897464212 981127830 /nfs/dbraw/zinc/12/78/30/981127830.db2.gz FKNAZQPSFMSEEH-CYBMUJFWSA-N 1 0 374.441 2.865 20 5 FFBDRO [NH3+]Cc1cnn(-c2nnc(-c3ccccc3[N+](=O)[O-])cc2C(F)(F)F)c1 ZINC001168258535 981175855 /nfs/dbraw/zinc/17/58/55/981175855.db2.gz YWQVUSQKLHKZIQ-UHFFFAOYSA-N 1 0 364.287 2.715 20 5 FFBDRO COc1ccc(C(=O)NC2CCC3(CC2)CC[NH+](C)CC3)cc1[N+](=O)[O-] ZINC000908502734 981457835 /nfs/dbraw/zinc/45/78/35/981457835.db2.gz ZKSVVDASNARWHY-UHFFFAOYSA-N 1 0 361.442 2.988 20 5 FFBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]Cc1cnc2n1CCOC2 ZINC000898267289 982659918 /nfs/dbraw/zinc/65/99/18/982659918.db2.gz FQGWUPJAGGMGAU-YOEHRIQHSA-N 1 0 356.426 2.823 20 5 FFBDRO O=C([C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000911973178 983929691 /nfs/dbraw/zinc/92/96/91/983929691.db2.gz GXXKZSPHSFRPFU-SNRMKQJTSA-N 1 0 372.469 2.554 20 5 FFBDRO O=C([C@@H]1CC[C@H]2CCCC[C@H]2[NH2+]1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000912000198 983936719 /nfs/dbraw/zinc/93/67/19/983936719.db2.gz CSQLRRVQGVNGRN-ZACQAIPSSA-N 1 0 372.469 2.554 20 5 FFBDRO C[N@@H+]1CC[C@H]2CN(C(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)CC[C@H]21 ZINC000878351590 1014997648 /nfs/dbraw/zinc/99/76/48/1014997648.db2.gz SIZLKAVLBYDZKN-GXFFZTMASA-N 1 0 370.356 2.754 20 5 FFBDRO C[NH+](C)C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2F)c2ccccc2O1 ZINC000760823319 984533219 /nfs/dbraw/zinc/53/32/19/984533219.db2.gz QXHVYLCWSUOLMS-CYBMUJFWSA-N 1 0 359.357 2.703 20 5 FFBDRO Cc1c(CO)cc([N+](=O)[O-])c(NC[C@@H]2CCCC[N@@H+]2C2CC2)c1[N+](=O)[O-] ZINC000764941120 984815165 /nfs/dbraw/zinc/81/51/65/984815165.db2.gz MUPWFZSLUGLSFT-AWEZNQCLSA-N 1 0 364.402 2.733 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000061226313 985182074 /nfs/dbraw/zinc/18/20/74/985182074.db2.gz OMUDZZLVNPJESR-UHFFFAOYSA-N 1 0 370.409 2.608 20 5 FFBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878605191 1015127713 /nfs/dbraw/zinc/12/77/13/1015127713.db2.gz FNJPHEFFFWGDOR-KGLIPLIRSA-N 1 0 357.414 2.703 20 5 FFBDRO CC1=CC[N@H+](CCNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CC1 ZINC000762708529 988596390 /nfs/dbraw/zinc/59/63/90/988596390.db2.gz VQYQHNMSBAPMOY-UHFFFAOYSA-N 1 0 358.442 2.577 20 5 FFBDRO C[C@@](O)(C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2)c1cccc(F)c1 ZINC000922567855 988694572 /nfs/dbraw/zinc/69/45/72/988694572.db2.gz WQKHXQIMOKWEGR-GOSISDBHSA-N 1 0 362.357 2.502 20 5 FFBDRO COc1cc(CN[C@H](CC[NH+](C)C)c2cccnc2)c([N+](=O)[O-])cc1OC ZINC000922631157 988770023 /nfs/dbraw/zinc/77/00/23/988770023.db2.gz JRGUGXUXFCRENZ-MRXNPFEDSA-N 1 0 374.441 2.790 20 5 FFBDRO CN(C)C(=O)[C@H]1CCC[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000766007184 988990926 /nfs/dbraw/zinc/99/09/26/988990926.db2.gz OHVCZDONDAAZCE-DOTOQJQBSA-N 1 0 374.485 2.800 20 5 FFBDRO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000125827962 989009880 /nfs/dbraw/zinc/00/98/80/989009880.db2.gz MSWWDQLTQIXUGL-UHFFFAOYSA-N 1 0 373.457 2.621 20 5 FFBDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000126060027 990018943 /nfs/dbraw/zinc/01/89/43/990018943.db2.gz FLAAKCHYGSAAQC-QGZVFWFLSA-N 1 0 362.474 2.805 20 5 FFBDRO Cc1cc(NC(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)ccc1[N+](=O)[O-] ZINC000917007719 990092043 /nfs/dbraw/zinc/09/20/43/990092043.db2.gz AUXNXKOFWSIBSS-INIZCTEOSA-N 1 0 362.430 2.668 20 5 FFBDRO Cc1cccc(CCC[NH+]2CC3(C2)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC3)c1 ZINC001035704277 990528357 /nfs/dbraw/zinc/52/83/57/990528357.db2.gz JAEYYCODKFDOTQ-RTBURBONSA-N 1 0 371.481 2.517 20 5 FFBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000919763097 990725581 /nfs/dbraw/zinc/72/55/81/990725581.db2.gz QXXNIQWKMCUEAV-CZUORRHYSA-N 1 0 354.410 2.742 20 5 FFBDRO CC[NH+](CC)CCOC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 ZINC000921232432 991018859 /nfs/dbraw/zinc/01/88/59/991018859.db2.gz FPBVEYXRMOXZRW-UHFFFAOYSA-N 1 0 374.441 2.955 20 5 FFBDRO O=C(C[NH+]1CCC2(CCC2)CC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000796515627 1015652536 /nfs/dbraw/zinc/65/25/36/1015652536.db2.gz YUVQKWMBTWSMCD-UHFFFAOYSA-N 1 0 372.469 2.510 20 5 FFBDRO CN(CC(C)(C)C[NH2+]Cc1ccccc1C1CC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001485250589 991877919 /nfs/dbraw/zinc/87/79/19/991877919.db2.gz KEWPLZKJLBUUDA-QZTJIDSGSA-N 1 0 359.470 2.803 20 5 FFBDRO Cc1cncc([C@@H]2CCC[N@@H+]2C[C@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000879749196 1015664538 /nfs/dbraw/zinc/66/45/38/1015664538.db2.gz UIVJIZHADFMKGF-HKUYNNGSSA-N 1 0 357.410 2.875 20 5 FFBDRO Cc1cc(C)cc([C@H](O)C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000072665351 993255888 /nfs/dbraw/zinc/25/58/88/993255888.db2.gz VCKYFGMYZQNWQK-FUHWJXTLSA-N 1 0 356.426 2.826 20 5 FFBDRO O=[N+]([O-])c1ccc(OCCCN2CCC[C@H]([NH2+]C3CCOCC3)C2)cc1 ZINC000880201015 1015779567 /nfs/dbraw/zinc/77/95/67/1015779567.db2.gz FVYURIWWMHEIMY-KRWDZBQOSA-N 1 0 363.458 2.597 20 5 FFBDRO COc1ccc(-c2n[nH]cc2CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)cc1 ZINC000809735021 994584899 /nfs/dbraw/zinc/58/48/99/994584899.db2.gz QBWHPVOYSYJNRX-UHFFFAOYSA-N 1 0 367.409 2.959 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCCN3c4ccccc4C[C@@H]3C2)cc1 ZINC000810052467 994678204 /nfs/dbraw/zinc/67/82/04/994678204.db2.gz ZJHXJMPPGANHTI-UYAOXDASSA-N 1 0 353.422 2.765 20 5 FFBDRO O=C(O[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000810844090 994950583 /nfs/dbraw/zinc/95/05/83/994950583.db2.gz ZZGGYGNEJDKQIM-GJZGRUSLSA-N 1 0 356.382 2.564 20 5 FFBDRO O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])O[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000810845907 994952036 /nfs/dbraw/zinc/95/20/36/994952036.db2.gz WBJPRYXIYDMPRV-HIFRSBDPSA-N 1 0 363.370 2.606 20 5 FFBDRO CC(C)(CCc1noc([C@@H]2CCC[N@H+](Cc3cccnc3)C2)n1)[N+](=O)[O-] ZINC000812814021 995537849 /nfs/dbraw/zinc/53/78/49/995537849.db2.gz TWQCWRLZIDIBTM-OAHLLOKOSA-N 1 0 359.430 2.832 20 5 FFBDRO C[NH+](C)[C@H]1Cc2ccccc2N(C(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000731466495 997934757 /nfs/dbraw/zinc/93/47/57/997934757.db2.gz SOOQDQYTHDNMGJ-INIZCTEOSA-N 1 0 368.437 2.916 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(COC(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)c1 ZINC000845125122 998369036 /nfs/dbraw/zinc/36/90/36/998369036.db2.gz XZIJYZHSMTZMDQ-XQQFMLRXSA-N 1 0 364.398 2.686 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@@H]1COC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000845733624 998640347 /nfs/dbraw/zinc/64/03/47/998640347.db2.gz XOFGZQGIQSWABE-CQSZACIVSA-N 1 0 365.386 2.852 20 5 FFBDRO CC[NH+]1CCN(c2ccc(NC(=O)Cc3cccc([N+](=O)[O-])c3)cc2)CC1 ZINC000741891005 999746920 /nfs/dbraw/zinc/74/69/20/999746920.db2.gz RMIQUHQXABSLBV-UHFFFAOYSA-N 1 0 368.437 2.918 20 5 FFBDRO C[C@@H]1CCC[C@H](C)[N@H+](CN2C(=O)N[C@@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000742155141 999762525 /nfs/dbraw/zinc/76/25/25/999762525.db2.gz PNTNHTMIXHSZSG-TYILLQQXSA-N 1 0 374.441 2.830 20 5 FFBDRO CC[N@@H+](Cc1ccc(C(F)(F)F)cc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000743842069 999832950 /nfs/dbraw/zinc/83/29/50/999832950.db2.gz BDUHACPSAXDVKG-HNNXBMFYSA-N 1 0 372.347 2.693 20 5 FFBDRO CCC[N@@H+](CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)CC(C)C ZINC000746145854 999951276 /nfs/dbraw/zinc/95/12/76/999951276.db2.gz SYDIUKBXOAPUMU-UHFFFAOYSA-N 1 0 362.474 2.611 20 5 FFBDRO CC(C)(C)OC(=O)Nc1cc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)ccn1 ZINC001168969032 1000013278 /nfs/dbraw/zinc/01/32/78/1000013278.db2.gz BNZDAKMLICURRB-KGLIPLIRSA-N 1 0 350.419 2.964 20 5 FFBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2ccc(I)cc2)C1 ZINC001168975203 1000013735 /nfs/dbraw/zinc/01/37/35/1000013735.db2.gz URHOFEZPPMHIGH-AAEUAGOBSA-N 1 0 360.195 2.826 20 5 FFBDRO O=C(N[C@H]1CC[C@H]([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1)c1ccc(F)cc1 ZINC001168999984 1000014454 /nfs/dbraw/zinc/01/44/54/1000014454.db2.gz WQEFJWRBIXLMKL-XDKFSHSGSA-N 1 0 363.433 2.902 20 5 FFBDRO CC(C)(C)OC(=O)N1CC([C@H]([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)C2CC2)C1 ZINC001169006656 1000015060 /nfs/dbraw/zinc/01/50/60/1000015060.db2.gz IVCNOWONGHYGDI-UHOFOFEASA-N 1 0 353.463 2.667 20 5 FFBDRO CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169010594 1000015224 /nfs/dbraw/zinc/01/52/24/1000015224.db2.gz DYFIVXHWNHDCMB-FPCVCCKLSA-N 1 0 353.463 2.906 20 5 FFBDRO CC(C)(C)OC(=O)N1CC2(C1)CC[NH+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169011048 1000015356 /nfs/dbraw/zinc/01/53/56/1000015356.db2.gz HTWVRPOVNAIIRC-GJZGRUSLSA-N 1 0 353.463 2.765 20 5 FFBDRO COC(=O)c1ccc(OC2CC[NH+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)cc1 ZINC001169026584 1000018237 /nfs/dbraw/zinc/01/82/37/1000018237.db2.gz NAMOUGYHCJPARM-GOEBONIOSA-N 1 0 362.426 2.762 20 5 FFBDRO CS(=O)(=O)c1cccc(C2CC[NH+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)c1 ZINC001169054832 1000019025 /nfs/dbraw/zinc/01/90/25/1000019025.db2.gz NTKKTSPJOGZQLA-PBHICJAKSA-N 1 0 366.483 2.715 20 5 FFBDRO O=C1Nc2ccccc2CN1[C@H]1CCC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169051374 1000019032 /nfs/dbraw/zinc/01/90/32/1000019032.db2.gz DNPVAYOLAKCQJJ-XIRDDKMYSA-N 1 0 358.442 2.944 20 5 FFBDRO O=[N+]([O-])c1cc(F)cc2ccc(NCc3ncn4c3C[NH2+]CCC4)nc21 ZINC001169240529 1000033812 /nfs/dbraw/zinc/03/38/12/1000033812.db2.gz JSXWMIQOUOWQHS-UHFFFAOYSA-N 1 0 356.361 2.584 20 5 FFBDRO [NH3+]Cc1ccc2c(n1)N(c1ccc(-c3cccc([N+](=O)[O-])c3)nn1)CCC2 ZINC001169591586 1000060239 /nfs/dbraw/zinc/06/02/39/1000060239.db2.gz XIZZCOBWJVMJTM-UHFFFAOYSA-N 1 0 362.393 2.990 20 5 FFBDRO [NH3+]CCC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CC1 ZINC000846695088 1000412074 /nfs/dbraw/zinc/41/20/74/1000412074.db2.gz IBLRLDALBYLLOS-UHFFFAOYSA-N 1 0 360.458 2.786 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2ccc(CN3CC[NH+](CCCCO)CC3)o2)c1 ZINC000769395312 1000518299 /nfs/dbraw/zinc/51/82/99/1000518299.db2.gz PWWPJUKUFOJSBF-UHFFFAOYSA-N 1 0 359.426 2.745 20 5 FFBDRO O=[N+]([O-])c1cc2c(nc1NCc1ccccc1N1CC[NH2+]CC1)CCCC2 ZINC001171281694 1000720979 /nfs/dbraw/zinc/72/09/79/1000720979.db2.gz OBMPNKGRNAYRNJ-UHFFFAOYSA-N 1 0 367.453 2.890 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH+]2CCC(O)(Cc3cccc(F)c3)CC2)cc1 ZINC000770702546 1000893202 /nfs/dbraw/zinc/89/32/02/1000893202.db2.gz OQRHOVIFVUXIOC-IBGZPJMESA-N 1 0 374.412 2.837 20 5 FFBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N(CC[NH+]1CCCC1)c1ccccc1 ZINC000787022332 1001654096 /nfs/dbraw/zinc/65/40/96/1001654096.db2.gz OTEMOCUBXSUWPB-UHFFFAOYSA-N 1 0 354.410 2.920 20 5 FFBDRO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N)[C@@H](C)CN1Cc1ccccc1 ZINC000787194068 1001674314 /nfs/dbraw/zinc/67/43/14/1001674314.db2.gz ZBLYWHSTDNQAPE-CABCVRRESA-N 1 0 368.437 2.912 20 5 FFBDRO CC1(C(=O)OCCn2cc([N+](=O)[O-])cn2)CC[NH+](Cc2ccccc2)CC1 ZINC000772712001 1001753774 /nfs/dbraw/zinc/75/37/74/1001753774.db2.gz RZYUIGAMLJXYMR-UHFFFAOYSA-N 1 0 372.425 2.637 20 5 FFBDRO Cc1c(CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)cccc1[N+](=O)[O-] ZINC000788469141 1001807983 /nfs/dbraw/zinc/80/79/83/1001807983.db2.gz NTVGKWYEVUOQEJ-VQTJNVASSA-N 1 0 369.465 2.876 20 5 FFBDRO COc1cc(NCC[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc(OC)c1 ZINC000788673931 1001840019 /nfs/dbraw/zinc/84/00/19/1001840019.db2.gz ZDHSLEGLBRAMQA-LBPRGKRZSA-N 1 0 360.414 2.957 20 5 FFBDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000774320262 1001861608 /nfs/dbraw/zinc/86/16/08/1001861608.db2.gz CMTIRBVZGAXJBR-CYBMUJFWSA-N 1 0 366.437 2.794 20 5 FFBDRO Cc1c(C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000791060780 1002566070 /nfs/dbraw/zinc/56/60/70/1002566070.db2.gz MTJXKMFKLVGGNM-OAHLLOKOSA-N 1 0 364.402 2.662 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H](O)CN2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000791624117 1002748812 /nfs/dbraw/zinc/74/88/12/1002748812.db2.gz XVWJNIFWYZXCNS-SVFBPWRDSA-N 1 0 367.449 2.692 20 5 FFBDRO CC(C)(C)OC(=O)NCCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000774820241 1002806891 /nfs/dbraw/zinc/80/68/91/1002806891.db2.gz HZUXOHCEMWOVAN-UHFFFAOYSA-N 1 0 364.446 2.632 20 5 FFBDRO CN(CCCN1CC[NH+](C)CC1)c1c(Cl)c(Cl)ccc1[N+](=O)[O-] ZINC001185403583 1002933293 /nfs/dbraw/zinc/93/32/93/1002933293.db2.gz JDMZLFJPMPRMLZ-UHFFFAOYSA-N 1 0 361.273 2.975 20 5 FFBDRO COc1ccc(C[C@H](C)[NH2+][C@H]2Cc3ccccc3NC2=O)c([N+](=O)[O-])c1 ZINC001170296644 1003090405 /nfs/dbraw/zinc/09/04/05/1003090405.db2.gz HFMPJJPELQXQCP-SJCJKPOMSA-N 1 0 355.394 2.687 20 5 FFBDRO CCOC(=O)c1cccc(C[NH2+][C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])n1 ZINC001170305601 1003094921 /nfs/dbraw/zinc/09/49/21/1003094921.db2.gz NRYHOLGYQYWPFG-CYBMUJFWSA-N 1 0 373.409 2.896 20 5 FFBDRO COc1ccc(C[C@@H](C)[NH2+][C@@H](CO)Cc2cccc(F)c2)c([N+](=O)[O-])c1 ZINC001170313395 1003104019 /nfs/dbraw/zinc/10/40/19/1003104019.db2.gz MDRYGZSGNSXJAR-CXAGYDPISA-N 1 0 362.401 2.867 20 5 FFBDRO COc1ccc(C[C@@H](C)N2c3ccccc3OC[C@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC001170313965 1003104454 /nfs/dbraw/zinc/10/44/54/1003104454.db2.gz SDHPCSJBZXZGMK-UKRRQHHQSA-N 1 0 357.410 2.761 20 5 FFBDRO C[NH+](C)C[C@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)c1cccc(C(F)(F)F)c1 ZINC001170320545 1003108391 /nfs/dbraw/zinc/10/83/91/1003108391.db2.gz MNQKKSHLDIGUPL-ZDUSSCGKSA-N 1 0 370.331 2.974 20 5 FFBDRO COc1ccc(C[C@@H](C)n2nnc(-c3ccc(C[NH3+])cc3)n2)c([N+](=O)[O-])c1 ZINC001170326824 1003113119 /nfs/dbraw/zinc/11/31/19/1003113119.db2.gz OHMHMFABIUQWRZ-GFCCVEGCSA-N 1 0 368.397 2.519 20 5 FFBDRO COc1ccc(C[C@@H](C)n2ccc([C@H]3CCC[NH2+]3)nc2=N)c([N+](=O)[O-])c1 ZINC001170344407 1003131439 /nfs/dbraw/zinc/13/14/39/1003131439.db2.gz BUKPLUALIFCLBW-IUODEOHRSA-N 1 0 357.414 2.508 20 5 FFBDRO COc1ccc(C[C@H](C)[NH+]2CCC(NC(=O)C3CC3)CC2)c([N+](=O)[O-])c1 ZINC001170347492 1003134294 /nfs/dbraw/zinc/13/42/94/1003134294.db2.gz RGGWDYHYHQNCGX-ZDUSSCGKSA-N 1 0 361.442 2.525 20 5 FFBDRO COc1ccc(C[C@H](C)[N@@H+]2CCC[C@@H](Oc3cnccn3)C2)c([N+](=O)[O-])c1 ZINC001170351241 1003137273 /nfs/dbraw/zinc/13/72/73/1003137273.db2.gz BQLDCTXCJDZQON-WMLDXEAASA-N 1 0 372.425 2.868 20 5 FFBDRO CC1(C)[C@H]([NH2+]Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)[C@@H]2CCCO[C@@H]21 ZINC001170386037 1003138302 /nfs/dbraw/zinc/13/83/02/1003138302.db2.gz LXRPJFOWRMPEHJ-MAZHCROVSA-N 1 0 358.398 2.938 20 5 FFBDRO C[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@H]1Cc1ccccc1 ZINC000792939749 1003227092 /nfs/dbraw/zinc/22/70/92/1003227092.db2.gz ICQBOUPVRCXVSL-SFHVURJKSA-N 1 0 370.409 2.862 20 5 FFBDRO Cn1cc([C@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)c2ccc(F)cc2)cn1 ZINC000775753981 1004027197 /nfs/dbraw/zinc/02/71/97/1004027197.db2.gz ZOGPIZWTEULGEE-RBUKOAKNSA-N 1 0 370.384 2.880 20 5 FFBDRO Cc1ccc([C@H](CNC(=O)c2cc(C)cc([N+](=O)[O-])c2N)[NH+]2CCCC2)o1 ZINC000104151389 1004436375 /nfs/dbraw/zinc/43/63/75/1004436375.db2.gz XVNJYPVHMLJNGH-INIZCTEOSA-N 1 0 372.425 2.954 20 5 FFBDRO CCOC(=O)C1=C(N=c2ccc3cc(F)cc([N+](=O)[O-])c3[nH]2)CC[NH2+]C1 ZINC001170516218 1004487036 /nfs/dbraw/zinc/48/70/36/1004487036.db2.gz REYMQOQXPNQSSI-UHFFFAOYSA-N 1 0 360.345 2.505 20 5 FFBDRO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H]2c2ccnn2C)c([N+](=O)[O-])c1 ZINC001198157740 1004515050 /nfs/dbraw/zinc/51/50/50/1004515050.db2.gz TVHOXGWGDFOCSP-MRXNPFEDSA-N 1 0 373.413 2.503 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](C)c1ncccc1C ZINC001198640315 1004688481 /nfs/dbraw/zinc/68/84/81/1004688481.db2.gz BECDSSXWHBFIKQ-CYBMUJFWSA-N 1 0 358.398 2.986 20 5 FFBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001170538813 1004727290 /nfs/dbraw/zinc/72/72/90/1004727290.db2.gz WKHXTKRVNSTICE-INIZCTEOSA-N 1 0 371.462 2.730 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H]1Cc1ccnn1C ZINC001198821583 1004749394 /nfs/dbraw/zinc/74/93/94/1004749394.db2.gz UDDBKZSKBFJPBC-INIZCTEOSA-N 1 0 371.441 2.672 20 5 FFBDRO C[C@H](C(=O)N1CC[NH2+][C@H](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC001170546821 1004782656 /nfs/dbraw/zinc/78/26/56/1004782656.db2.gz HJGPTFRZWNGLQQ-GOEBONIOSA-N 1 0 371.412 2.881 20 5 FFBDRO CN(CCC[N@H+](C)Cc1ccncc1)C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000808273056 1004794763 /nfs/dbraw/zinc/79/47/63/1004794763.db2.gz VWAHLBZLTBAVRK-TWGQIWQCSA-N 1 0 368.437 2.984 20 5 FFBDRO COC(=O)N1CCC[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC001199991478 1005067938 /nfs/dbraw/zinc/06/79/38/1005067938.db2.gz XWCBOYQLPFCYFH-LLVKDONJSA-N 1 0 359.329 2.517 20 5 FFBDRO CC[C@@H]([NH2+]Cc1c(C)nn(C)c1N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC001201490292 1005222691 /nfs/dbraw/zinc/22/26/91/1005222691.db2.gz BAXJTVMWFRUKGD-GOSISDBHSA-N 1 0 373.457 2.714 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H]3COC4(CCOCC4)O3)o2)cc1 ZINC001201676943 1005247803 /nfs/dbraw/zinc/24/78/03/1005247803.db2.gz VWGOMKURXPUWFA-QGZVFWFLSA-N 1 0 374.393 2.867 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCCN(Cc3ccc(F)cc3)CC2)cc1 ZINC000776276454 1005343312 /nfs/dbraw/zinc/34/33/12/1005343312.db2.gz NDJBTNCZWHGJGC-FQEVSTJZSA-N 1 0 373.428 2.975 20 5 FFBDRO CC[N@@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)C1 ZINC000107894135 1005554360 /nfs/dbraw/zinc/55/43/60/1005554360.db2.gz MGKLOQDJGGBLPS-INIZCTEOSA-N 1 0 374.485 2.903 20 5 FFBDRO O=C(NCCC[N@H+](Cc1ccc(F)cc1Cl)C1CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001490372165 1005700927 /nfs/dbraw/zinc/70/09/27/1005700927.db2.gz LWMSHTHFNUSMNA-GDBMZVCRSA-N 1 0 369.824 2.615 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000850434492 1005815372 /nfs/dbraw/zinc/81/53/72/1005815372.db2.gz UKQYXDDELKCIGT-PBHICJAKSA-N 1 0 363.458 2.897 20 5 FFBDRO Cc1ccn([C@@H](C)CC(=O)O[C@H]2CCN(Cc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000851035650 1005857901 /nfs/dbraw/zinc/85/79/01/1005857901.db2.gz UIRQAZRDEXKOIN-YJBOKZPZSA-N 1 0 372.425 2.869 20 5 FFBDRO CCN(C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000776582889 1005954572 /nfs/dbraw/zinc/95/45/72/1005954572.db2.gz CZPABNTVACQBQA-RTBURBONSA-N 1 0 369.421 2.756 20 5 FFBDRO C[N@H+](CCc1ccccc1)[C@H]1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000852514977 1006061750 /nfs/dbraw/zinc/06/17/50/1006061750.db2.gz NIYWCCYIXXLQLR-SFTDATJTSA-N 1 0 369.465 2.877 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CC[C@H](c3ccccc3)[C@H](CO)C2)cc1 ZINC000852520674 1006062520 /nfs/dbraw/zinc/06/25/20/1006062520.db2.gz MKZYNTKKABROQY-SXLOBPIMSA-N 1 0 356.422 2.726 20 5 FFBDRO COc1cc(N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)c([N+](=O)[O-])cc1OC ZINC001187593675 1006148406 /nfs/dbraw/zinc/14/84/06/1006148406.db2.gz NNNVXHCWWTWFTK-FZMZJTMJSA-N 1 0 353.444 2.604 20 5 FFBDRO O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1)c1cc(F)ccc1[N+](=O)[O-] ZINC000852906505 1006226075 /nfs/dbraw/zinc/22/60/75/1006226075.db2.gz FZTHOVVOBLWPFL-GDBMZVCRSA-N 1 0 361.348 2.749 20 5 FFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CC[NH+](CCC1CCCCCC1)CC2 ZINC001050517643 1017036608 /nfs/dbraw/zinc/03/66/08/1017036608.db2.gz YHTOGVOWHUDOOE-QZTJIDSGSA-N 1 0 363.502 2.937 20 5 FFBDRO O=[N+]([O-])c1c(F)nccc1NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000882171578 1006311428 /nfs/dbraw/zinc/31/14/28/1006311428.db2.gz GISARMXKQCJVRD-HNNXBMFYSA-N 1 0 360.389 2.698 20 5 FFBDRO CC(C)[C@@]1(C)C[C@@H]1C(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001134416274 1006319236 /nfs/dbraw/zinc/31/92/36/1006319236.db2.gz TWZWBVPACVKADM-DNVCBOLYSA-N 1 0 360.458 2.967 20 5 FFBDRO CC(C)[N@H+](CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CCCC1 ZINC000111173683 1006337541 /nfs/dbraw/zinc/33/75/41/1006337541.db2.gz YLHHGMNGSSGZFU-UHFFFAOYSA-N 1 0 374.485 2.896 20 5 FFBDRO C[NH+](C)CCCC1CCN(Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)CC1 ZINC000853504639 1006417205 /nfs/dbraw/zinc/41/72/05/1006417205.db2.gz BYMRTQPKRRUVNL-UHFFFAOYSA-N 1 0 372.473 2.865 20 5 FFBDRO O=[N+]([O-])c1ccc2c(ccnc2N2CCC[C@@H]([NH2+]C3CCOCC3)C2)c1 ZINC000882726770 1006489883 /nfs/dbraw/zinc/48/98/83/1006489883.db2.gz BUXOTJRCBNLJHH-MRXNPFEDSA-N 1 0 356.426 2.880 20 5 FFBDRO O=[N+]([O-])c1c(NCC2CC[NH+](C3CCOCC3)CC2)nc2ccccn21 ZINC000853756383 1006526148 /nfs/dbraw/zinc/52/61/48/1006526148.db2.gz QKDAYJJMUVNZDA-UHFFFAOYSA-N 1 0 359.430 2.545 20 5 FFBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@]2(CCN(c3ccc([N+](=O)[O-])nc3)C2)O1 ZINC000882980383 1006584720 /nfs/dbraw/zinc/58/47/20/1006584720.db2.gz IGULZHSCFKCICZ-OXJNMPFZSA-N 1 0 368.437 2.860 20 5 FFBDRO C[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CCN1c1cc[nH+]cc1 ZINC000883140646 1006667940 /nfs/dbraw/zinc/66/79/40/1006667940.db2.gz ADIXWYKNDTVLCE-LBPRGKRZSA-N 1 0 359.361 2.872 20 5 FFBDRO C[C@@H](NC(=O)N1CCN(c2cc[nH+]cc2)[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000883153933 1006675027 /nfs/dbraw/zinc/67/50/27/1006675027.db2.gz SJHSLTZRIUASIY-LSDHHAIUSA-N 1 0 369.425 2.971 20 5 FFBDRO COc1ccccc1N1CC[C@@H]([NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1=O ZINC000815596584 1006704961 /nfs/dbraw/zinc/70/49/61/1006704961.db2.gz YCEBTHOZHJWYGK-IUODEOHRSA-N 1 0 370.409 2.642 20 5 FFBDRO Cc1nn(C[N@@H+]2CC[C@](O)(c3ccc(F)cc3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000776765912 1007035145 /nfs/dbraw/zinc/03/51/45/1007035145.db2.gz MNTPIRWTBALIBA-LJQANCHMSA-N 1 0 370.384 2.943 20 5 FFBDRO CCC1([NH+]2CCC2)CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000884241479 1007336497 /nfs/dbraw/zinc/33/64/97/1007336497.db2.gz DOHMUJOBMYENRI-UHFFFAOYSA-N 1 0 360.458 2.797 20 5 FFBDRO O=[N+]([O-])c1cnc(N2CCC[C@@H]([NH2+]C3CCOCC3)C2)c2ccccc21 ZINC000884580885 1007483151 /nfs/dbraw/zinc/48/31/51/1007483151.db2.gz OECCZLBZGJFGLX-OAHLLOKOSA-N 1 0 356.426 2.880 20 5 FFBDRO CCOC(=O)c1ccnc(N2CCC(CC)([NH+]3CCC3)CC2)c1[N+](=O)[O-] ZINC000884717512 1007518262 /nfs/dbraw/zinc/51/82/62/1007518262.db2.gz CTVSLDNIMIZURE-UHFFFAOYSA-N 1 0 362.430 2.621 20 5 FFBDRO C[C@@H](COCc1ccccc1)C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC001170891682 1007885411 /nfs/dbraw/zinc/88/54/11/1007885411.db2.gz FIMCABVVLZQTDS-QGZVFWFLSA-N 1 0 370.453 2.965 20 5 FFBDRO C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1)[C@H]1CCC[NH2+]C1 ZINC000818533986 1007927458 /nfs/dbraw/zinc/92/74/58/1007927458.db2.gz ZBZJCJQYISIBGT-CVEARBPZSA-N 1 0 374.485 2.949 20 5 FFBDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 ZINC000818564150 1007944270 /nfs/dbraw/zinc/94/42/70/1007944270.db2.gz WUOSMYOAMRHYTB-LSDHHAIUSA-N 1 0 360.458 2.640 20 5 FFBDRO COc1ccccc1N1CCC([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000818985963 1008000322 /nfs/dbraw/zinc/00/03/22/1008000322.db2.gz BIQQNXRNDSNUHT-LJQANCHMSA-N 1 0 371.437 2.895 20 5 FFBDRO COc1ccccc1N1CCC([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000818988766 1008001535 /nfs/dbraw/zinc/00/15/35/1008001535.db2.gz UDPMXGGFBBTVOC-LJQANCHMSA-N 1 0 371.437 2.895 20 5 FFBDRO C[C@H](c1ccncc1)N1CCC([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000819184248 1008061251 /nfs/dbraw/zinc/06/12/51/1008061251.db2.gz XQSNWOZQPCEQNZ-FOIQADDNSA-N 1 0 370.453 2.838 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@@H]2CCN(c3ccccc3F)C2)cc1 ZINC000819327207 1008099381 /nfs/dbraw/zinc/09/93/81/1008099381.db2.gz ZCFPOGKYPHRHME-LIRRHRJNSA-N 1 0 359.401 2.883 20 5 FFBDRO Cc1cc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc(N2CCCC2)n1 ZINC000819320639 1008112283 /nfs/dbraw/zinc/11/22/83/1008112283.db2.gz HMJQEOPWSHBGFO-GOSISDBHSA-N 1 0 356.426 2.722 20 5 FFBDRO Nc1ccc(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000819916724 1008249614 /nfs/dbraw/zinc/24/96/14/1008249614.db2.gz RMLKVJMHLLFHCA-UHFFFAOYSA-N 1 0 368.309 2.523 20 5 FFBDRO COCC[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)CC1 ZINC000858767705 1008419648 /nfs/dbraw/zinc/41/96/48/1008419648.db2.gz DBPKAXXVBJUSPT-UHFFFAOYSA-N 1 0 357.410 2.542 20 5 FFBDRO CC1(C)CCC[C@](CO)([NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000859618389 1008589797 /nfs/dbraw/zinc/58/97/97/1008589797.db2.gz RRUXSZGKRIAWIJ-SFHVURJKSA-N 1 0 367.421 2.983 20 5 FFBDRO COC[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[C@@H]1CCCOC1 ZINC000886787624 1008878662 /nfs/dbraw/zinc/87/86/62/1008878662.db2.gz YXGBDCMPARRVNL-BEFAXECRSA-N 1 0 363.458 2.595 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2noc(CN3CCCC[C@@]4(CC[NH2+]C4)C3)n2)cc1 ZINC000886869724 1008908573 /nfs/dbraw/zinc/90/85/73/1008908573.db2.gz GORTYKKMUNFNEZ-SFHVURJKSA-N 1 0 357.414 2.610 20 5 FFBDRO Cc1ccc(CCC[NH2+]CCCCCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001178463907 1008998247 /nfs/dbraw/zinc/99/82/47/1008998247.db2.gz MTJBUVMUFHXKJF-RTBURBONSA-N 1 0 361.486 2.859 20 5 FFBDRO O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000126475587 1009232347 /nfs/dbraw/zinc/23/23/47/1009232347.db2.gz ZVKWAYUNOHOWNL-SJKOYZFVSA-N 1 0 374.397 2.592 20 5 FFBDRO C[C@@H](NC(=O)Nc1ccc(N)c([N+](=O)[O-])c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000823961482 1009281486 /nfs/dbraw/zinc/28/14/86/1009281486.db2.gz FTHRGXAKNAXKCE-PXAZEXFGSA-N 1 0 357.414 2.990 20 5 FFBDRO [NH3+]C[C@@H]1COc2ccccc2N1c1ccc(-c2cccc([N+](=O)[O-])c2)nn1 ZINC001171394517 1009738436 /nfs/dbraw/zinc/73/84/36/1009738436.db2.gz YGJRXQVTGPZVGS-OAHLLOKOSA-N 1 0 363.377 2.910 20 5 FFBDRO COC(=O)c1c(C)c([N+](=O)[O-])ccc1N1c2ccccc2OC[C@H]1C[NH3+] ZINC001171395252 1009877769 /nfs/dbraw/zinc/87/77/69/1009877769.db2.gz DLJYVRQIHHKQJO-GFCCVEGCSA-N 1 0 357.366 2.548 20 5 FFBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000862959636 1010056948 /nfs/dbraw/zinc/05/69/48/1010056948.db2.gz YXZFHRFXRRSENL-FOCLMDBBSA-N 1 0 373.453 2.711 20 5 FFBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 ZINC000119385778 1010157669 /nfs/dbraw/zinc/15/76/69/1010157669.db2.gz KNOOFJRZXXHOIE-MRXNPFEDSA-N 1 0 374.485 2.903 20 5 FFBDRO COc1ccccc1[C@H]1CCN(Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C1 ZINC000794632682 1010448173 /nfs/dbraw/zinc/44/81/73/1010448173.db2.gz LAIIPAJATCPZIE-ZDUSSCGKSA-N 1 0 369.377 2.958 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]Cc2cccnc2-n2ccnc2)n1 ZINC000774124893 1010482812 /nfs/dbraw/zinc/48/28/12/1010482812.db2.gz YKXXARKBWFHBHP-HZPDHXFCSA-N 1 0 367.413 2.646 20 5 FFBDRO C[NH+](C)CCN(Cc1ccccc1)C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000865040811 1010691942 /nfs/dbraw/zinc/69/19/42/1010691942.db2.gz ZNGMEAXPDNSYLZ-UHFFFAOYSA-N 1 0 359.401 2.867 20 5 FFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H](CO)C[C@@H](O)c1ccccc1 ZINC000866311557 1010974678 /nfs/dbraw/zinc/97/46/78/1010974678.db2.gz SMHQSEPDBQBASS-XVGQJIODSA-N 1 0 362.401 2.739 20 5 FFBDRO Cn1cc(CC[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c2cccnc21 ZINC000866574362 1011018408 /nfs/dbraw/zinc/01/84/08/1011018408.db2.gz VCLHZBFHAOTQMG-SJORKVTESA-N 1 0 368.441 2.994 20 5 FFBDRO C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)C1CC[NH2+]CC1 ZINC000868008543 1011144444 /nfs/dbraw/zinc/14/44/44/1011144444.db2.gz SNOIVAISZZFMNP-AWEZNQCLSA-N 1 0 360.458 2.703 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@@H]1c2ccccc2CN1C ZINC000868079546 1011160881 /nfs/dbraw/zinc/16/08/81/1011160881.db2.gz FGNBURUBYDTEKN-QGZVFWFLSA-N 1 0 370.409 2.589 20 5 FFBDRO CCNC(=O)OC[C@H]1CCCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000796170018 1011234796 /nfs/dbraw/zinc/23/47/96/1011234796.db2.gz DSINJSWFEJKYOH-MRXNPFEDSA-N 1 0 365.430 2.964 20 5 FFBDRO COc1c(C(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)cccc1[N+](=O)[O-] ZINC000795064857 1011705684 /nfs/dbraw/zinc/70/56/84/1011705684.db2.gz NXBYGVNZBVVHCU-UHFFFAOYSA-N 1 0 357.410 2.937 20 5 FFBDRO COC(=O)c1ccnc(C[NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)c1 ZINC001172898062 1012071695 /nfs/dbraw/zinc/07/16/95/1012071695.db2.gz FXZFBNGZMZSREM-INIZCTEOSA-N 1 0 355.394 2.814 20 5 FFBDRO [NH3+]Cc1cccc(-c2nnn([C@@H]3CCc4ccc([N+](=O)[O-])cc4CC3)n2)c1 ZINC001172901093 1012075336 /nfs/dbraw/zinc/07/53/36/1012075336.db2.gz JJQUWXBVFODDSY-QGZVFWFLSA-N 1 0 364.409 2.827 20 5 FFBDRO O=C(C[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1)NCc1ccc(F)cc1 ZINC001172903794 1012077179 /nfs/dbraw/zinc/07/71/79/1012077179.db2.gz IYWCASDIVRYXKI-GOSISDBHSA-N 1 0 371.412 2.887 20 5 FFBDRO CCOc1ccc([C@@H](CO)[NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)cn1 ZINC001172895213 1012096000 /nfs/dbraw/zinc/09/60/00/1012096000.db2.gz AXWGPHLVVYOWOU-PKOBYXMFSA-N 1 0 371.437 2.959 20 5 FFBDRO O=C(N[C@@H]1CCC[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1)C1CC1 ZINC001172913967 1012096907 /nfs/dbraw/zinc/09/69/07/1012096907.db2.gz WNCDQNDWZDSJMW-QZTJIDSGSA-N 1 0 357.454 2.833 20 5 FFBDRO O=C1COc2ccc(C[NH2+][C@H]3CCc4ccc([N+](=O)[O-])cc4CC3)cc2N1 ZINC001172910046 1012122862 /nfs/dbraw/zinc/12/28/62/1012122862.db2.gz WQZFGANGIFXERG-INIZCTEOSA-N 1 0 367.405 2.963 20 5 FFBDRO CCOC(=O)C1=C(O)CC[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172911669 1012126033 /nfs/dbraw/zinc/12/60/33/1012126033.db2.gz UUKMKJCXNPSPBS-WMZOPIPTSA-N 1 0 374.437 2.686 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH2+]CCCn3ccnc3)CC2)c(F)c1 ZINC001173007357 1012177167 /nfs/dbraw/zinc/17/71/67/1012177167.db2.gz LSZONCYFHJPVHU-UHFFFAOYSA-N 1 0 365.384 2.718 20 5 FFBDRO CCN1CCC[N@@H+](C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)CC1 ZINC001173010594 1012179191 /nfs/dbraw/zinc/17/91/91/1012179191.db2.gz VRVHIKKHAKJSDL-UHFFFAOYSA-N 1 0 368.428 2.869 20 5 FFBDRO CCOC(=O)CC[N@H+](C)C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173017654 1012188737 /nfs/dbraw/zinc/18/87/37/1012188737.db2.gz HZMVUMFLHNVZMN-UHFFFAOYSA-N 1 0 371.384 2.727 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(N2CCC([N@@H+]3CC[C@]34CCOC4)CC2)c(F)c1 ZINC001173017430 1012188845 /nfs/dbraw/zinc/18/88/45/1012188845.db2.gz DWFPVDDGIMWCGP-QGZVFWFLSA-N 1 0 353.369 2.707 20 5 FFBDRO CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173018258 1012189608 /nfs/dbraw/zinc/18/96/08/1012189608.db2.gz QODBWLDIYVUDLI-OKILXGFUSA-N 1 0 366.412 2.620 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(-c2nc(-c3ccc(C[NH+](C)C)cc3)no2)n1 ZINC001212698219 1012194502 /nfs/dbraw/zinc/19/45/02/1012194502.db2.gz HFKVUNKYFLYXNE-UHFFFAOYSA-N 1 0 355.354 2.777 20 5 FFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NCC1(c2ccccc2)CC[NH+](C)CC1 ZINC000870191663 1012256671 /nfs/dbraw/zinc/25/66/71/1012256671.db2.gz GAOCZQGGGUGRLE-UHFFFAOYSA-N 1 0 368.437 2.692 20 5 FFBDRO CCC1([NH+]2CCCC2)CCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2N)CC1 ZINC000870269616 1012291802 /nfs/dbraw/zinc/29/18/02/1012291802.db2.gz JDMBTHSPSBCNET-UHFFFAOYSA-N 1 0 360.458 2.966 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@@H]2c3ccccc3C[C@@H]2O)c1F ZINC001173176813 1012318730 /nfs/dbraw/zinc/31/87/30/1012318730.db2.gz LZHLLUVTYMVWDD-WQFAYQGZSA-N 1 0 360.385 2.921 20 5 FFBDRO COC(=O)[C@H]1CCCC[C@@H]1[NH2+][C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173177673 1012319923 /nfs/dbraw/zinc/31/99/23/1012319923.db2.gz CORRHBQKRGAPSK-DYEKYZERSA-N 1 0 368.405 2.995 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@H]2CCN(C3CCC3)C2)c1F ZINC001173183417 1012326010 /nfs/dbraw/zinc/32/60/10/1012326010.db2.gz ZNFCTKMECCCAPR-STQMWFEESA-N 1 0 351.422 2.890 20 5 FFBDRO COC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C1 ZINC001173192841 1012336322 /nfs/dbraw/zinc/33/63/22/1012336322.db2.gz RNQIQTYFVVIKNO-QJPTWQEYSA-N 1 0 354.378 2.605 20 5 FFBDRO CCOC(=O)[C@@]12CCO[C@@H]1CC[N@@H+]([C@H](C)Cc1ccc([N+](=O)[O-])cc1)C2 ZINC001173221866 1012352805 /nfs/dbraw/zinc/35/28/05/1012352805.db2.gz MYGPBFXLOAQLQF-LSBZLQRGSA-N 1 0 362.426 2.570 20 5 FFBDRO Cc1noc(C[C@@H]2C[C@H]3C[N@@H+]([C@@H](C)Cc4ccc([N+](=O)[O-])cc4)C[C@H]3O2)n1 ZINC001173222802 1012354023 /nfs/dbraw/zinc/35/40/23/1012354023.db2.gz CJBAHZNKCWEWPF-OYYDLILQSA-N 1 0 372.425 2.549 20 5 FFBDRO CCN(C)c1ncnc2c1CC[N@@H+]([C@@H](C)Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC001173222382 1012355430 /nfs/dbraw/zinc/35/54/30/1012355430.db2.gz BDQOLHZKZKROFP-HNNXBMFYSA-N 1 0 369.469 2.873 20 5 FFBDRO CCOC[C@H]1C[N@@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)Cc2cnn(C)c21 ZINC001173224347 1012357645 /nfs/dbraw/zinc/35/76/45/1012357645.db2.gz JOYUKZMMMCRNJK-WMLDXEAASA-N 1 0 358.442 2.895 20 5 FFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@H]2CN(C(=O)c3ccco3)C[C@H]2C1 ZINC001173226170 1012359904 /nfs/dbraw/zinc/35/99/04/1012359904.db2.gz LBQVVCULMUJDJX-BHYGNILZSA-N 1 0 369.421 2.823 20 5 FFBDRO CCC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)CCN1CCCC1 ZINC000796382179 1012530022 /nfs/dbraw/zinc/53/00/22/1012530022.db2.gz WXJYLFXMDNAJLR-UHFFFAOYSA-N 1 0 366.437 2.870 20 5 FFBDRO C[C@](N)(C(=O)N1CCO[C@](C)(c2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000870905690 1012626066 /nfs/dbraw/zinc/62/60/66/1012626066.db2.gz BWARNVHEVVKUDY-VQTJNVASSA-N 1 0 369.421 2.543 20 5 FFBDRO CC[N@@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)C1 ZINC000748728674 1017579104 /nfs/dbraw/zinc/57/91/04/1017579104.db2.gz QVDRSMBQTWNHQK-CYBMUJFWSA-N 1 0 364.402 2.582 20 5 FFBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3N3CCCCC3)CC[C@H]21 ZINC000827364121 1017772190 /nfs/dbraw/zinc/77/21/90/1017772190.db2.gz FSVDXLMXTDJSLZ-CRAIPNDOSA-N 1 0 372.469 2.751 20 5 FFBDRO CCOc1ccc([C@@H](C)N[C@H]2C[NH2+]CC3(CCOCC3)C2)cc1[N+](=O)[O-] ZINC000925792930 1017849393 /nfs/dbraw/zinc/84/93/93/1017849393.db2.gz BYDWOGBKABIWPB-GDBMZVCRSA-N 1 0 363.458 2.803 20 5 FFBDRO CN(C)c1cc(F)c(C(=O)N2CCCC23CC[NH+](C)CC3)cc1[N+](=O)[O-] ZINC000827675289 1018606618 /nfs/dbraw/zinc/60/66/18/1018606618.db2.gz QVBXUPNKHONRIU-UHFFFAOYSA-N 1 0 364.421 2.500 20 5 FFBDRO C[NH+](C)CC[C@H](NC(=O)CCOc1ccccc1[N+](=O)[O-])c1cccnc1 ZINC000928836325 1019151960 /nfs/dbraw/zinc/15/19/60/1019151960.db2.gz NIOXFFINTSESBS-INIZCTEOSA-N 1 0 372.425 2.568 20 5 FFBDRO O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CC[NH+](C2CC2)CC1 ZINC000801872395 1019470104 /nfs/dbraw/zinc/47/01/04/1019470104.db2.gz RWVKQRCIMKYCOJ-UHFFFAOYSA-N 1 0 372.381 2.562 20 5 FFBDRO O=C1O[C@@H](C[N@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)CC12CC2 ZINC000828817140 1032854086 /nfs/dbraw/zinc/85/40/86/1032854086.db2.gz LKJMKTGHMUKOHJ-BRWVUGGUSA-N 1 0 374.437 2.796 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000931057741 1020301306 /nfs/dbraw/zinc/30/13/06/1020301306.db2.gz QHZWMOFTVMAEDY-HNNXBMFYSA-N 1 0 362.430 2.586 20 5 FFBDRO O=[N+]([O-])c1cc(Br)c(F)cc1O[C@@H]1CCC[NH2+]C[C@H]1F ZINC001217947416 1032914070 /nfs/dbraw/zinc/91/40/70/1032914070.db2.gz RIUAOTCROBYNFI-MWLCHTKSSA-N 1 0 351.147 2.965 20 5 FFBDRO O=[N+]([O-])c1cc(O[C@@H]2C[NH2+]CCC[C@H]2F)c(F)cc1Br ZINC001217978252 1032929668 /nfs/dbraw/zinc/92/96/68/1032929668.db2.gz AUPMGMRWMKROJA-PRHODGIISA-N 1 0 351.147 2.965 20 5 FFBDRO CCOc1ccc([C@@H](C)[NH2+]CC2(C3(O)CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000903350866 1020799912 /nfs/dbraw/zinc/79/99/12/1020799912.db2.gz ZHHUEROXELJUAH-CQSZACIVSA-N 1 0 364.442 2.966 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2C[C@@H]3CN(c4ccccc4)C[C@H]3C2)c1 ZINC000749686322 1021019596 /nfs/dbraw/zinc/01/95/96/1021019596.db2.gz HNVWGXFIEVZSLK-MBOZVWFJSA-N 1 0 353.422 2.696 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2C[C@H]3CN(c4ccccc4)C[C@@H]3C2)c1 ZINC000749686320 1021019763 /nfs/dbraw/zinc/01/97/63/1021019763.db2.gz HNVWGXFIEVZSLK-ABSDTBQOSA-N 1 0 353.422 2.696 20 5 FFBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933738680 1021080625 /nfs/dbraw/zinc/08/06/25/1021080625.db2.gz LKNQLANIETUHMD-UVBSCNOISA-N 1 0 357.414 2.589 20 5 FFBDRO CCOC(=O)C1([C@@H](C)[NH2+]Cc2c(F)cc([N+](=O)[O-])cc2F)CCOCC1 ZINC000933883658 1021108960 /nfs/dbraw/zinc/10/89/60/1021108960.db2.gz JQQCRQXNXSRSRW-LLVKDONJSA-N 1 0 372.368 2.711 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(Br)c(O[C@H]2CC[NH2+]CC[C@H]2F)c1 ZINC001218022277 1032957750 /nfs/dbraw/zinc/95/77/50/1032957750.db2.gz GEDQKAHDHYYNAN-SCZZXKLOSA-N 1 0 351.147 2.965 20 5 FFBDRO COc1ccccc1N1CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000934178433 1021159061 /nfs/dbraw/zinc/15/90/61/1021159061.db2.gz ZQJHCBNLSBMEHH-LJQANCHMSA-N 1 0 371.437 2.849 20 5 FFBDRO CN1CC[NH+](C(C)(C)CNc2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC001116454698 1021226827 /nfs/dbraw/zinc/22/68/27/1021226827.db2.gz CQOPHPYYOPCUMC-UHFFFAOYSA-N 1 0 358.389 2.634 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H](Oc1ccc(CN3CC[NH2+]CC3)cc1)C2 ZINC001218046383 1032969636 /nfs/dbraw/zinc/96/96/36/1032969636.db2.gz XCBYYIJWECVIIN-HXUWFJFHSA-N 1 0 353.422 2.546 20 5 FFBDRO C[C@@H]1C[C@@H](Oc2ccc(I)cc2[N+](=O)[O-])CC[NH2+]1 ZINC001218061755 1032975112 /nfs/dbraw/zinc/97/51/12/1032975112.db2.gz QKTLMZPOQDYEQG-SCZZXKLOSA-N 1 0 362.167 2.719 20 5 FFBDRO Cc1cc(Br)cc([N+](=O)[O-])c1O[C@H]1CSC2(C[NH2+]C2)C1 ZINC001218100181 1032994064 /nfs/dbraw/zinc/99/40/64/1032994064.db2.gz LSSCOTFUIRRPAU-SNVBAGLBSA-N 1 0 359.245 2.892 20 5 FFBDRO O=C(NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)c1[nH]ncc1[N+](=O)[O-] ZINC001117726432 1021839073 /nfs/dbraw/zinc/83/90/73/1021839073.db2.gz DHUVMMAMPJVSRP-MQVJKMGUSA-N 1 0 369.425 2.633 20 5 FFBDRO Cn1cc(C[NH2+]CCOc2cccnc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000114507402 1022030870 /nfs/dbraw/zinc/03/08/70/1022030870.db2.gz IAFLIQZFZGZHMZ-UHFFFAOYSA-N 1 0 353.382 2.559 20 5 FFBDRO C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(C[NH+]2CCCCCCC2)C1=O ZINC000042910185 1022201170 /nfs/dbraw/zinc/20/11/70/1022201170.db2.gz CFIXSAFMTIYMDF-GOSISDBHSA-N 1 0 360.414 2.585 20 5 FFBDRO COc1cc(C(=O)c2ccc(C)cc2)cc([N+](=O)[O-])c1O[C@H]1CC[NH2+]C1 ZINC001218183208 1033038683 /nfs/dbraw/zinc/03/86/83/1033038683.db2.gz NCGCNIRLXBISCB-HNNXBMFYSA-N 1 0 356.378 2.884 20 5 FFBDRO Cc1c(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000016599409 1022281569 /nfs/dbraw/zinc/28/15/69/1022281569.db2.gz FHNISVKGJXRVOH-QGZVFWFLSA-N 1 0 372.381 2.844 20 5 FFBDRO O=C(OCc1ccc(-n2ccnc2)cc1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000778897968 1022496479 /nfs/dbraw/zinc/49/64/79/1022496479.db2.gz DPNHKNWJSGFPNU-UHFFFAOYSA-N 1 0 367.317 2.866 20 5 FFBDRO CC(C)c1n[nH]c(C(=O)N2CCC(C(C)(C)C[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC001119572824 1022866965 /nfs/dbraw/zinc/86/69/65/1022866965.db2.gz PSUBDILRONOLNF-UHFFFAOYSA-N 1 0 365.478 2.881 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1C[C@@H](C)Oc1ccc2c(c1)C(C)(C)C[NH2+]CC2 ZINC001218304350 1033095088 /nfs/dbraw/zinc/09/50/88/1033095088.db2.gz HESIPYNCIRKKFZ-CYBMUJFWSA-N 1 0 358.442 2.991 20 5 FFBDRO C[C@H](CNC(=O)c1ccc2c(c1)CC[NH2+]CC2)c1ccccc1[N+](=O)[O-] ZINC001122267532 1023156123 /nfs/dbraw/zinc/15/61/23/1023156123.db2.gz PIXHZOJIQVNQAN-CQSZACIVSA-N 1 0 353.422 2.817 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C[C@@]1(N2CCOCC2)CCSC1 ZINC001120020562 1023210124 /nfs/dbraw/zinc/21/01/24/1023210124.db2.gz NFCJYPXPDCBVNM-INIZCTEOSA-N 1 0 371.890 2.546 20 5 FFBDRO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000754882070 1023532498 /nfs/dbraw/zinc/53/24/98/1023532498.db2.gz AHOLGHSAVUOGTO-PFONDFGASA-N 1 0 352.394 2.742 20 5 FFBDRO C[C@H]1CC[C@H](Oc2cc(I)ccc2[N+](=O)[O-])C[NH2+]1 ZINC001218407987 1033141681 /nfs/dbraw/zinc/14/16/81/1033141681.db2.gz SGVMUHAIRHEJPM-WPRPVWTQSA-N 1 0 362.167 2.719 20 5 FFBDRO C[C@@H]1CC[C@@H](Oc2cc([N+](=O)[O-])ccc2I)C[NH2+]1 ZINC001218409242 1033144202 /nfs/dbraw/zinc/14/42/02/1033144202.db2.gz YIQNTSZZNUITGW-PSASIEDQSA-N 1 0 362.167 2.719 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)c2nnc(-c3ccc([N+](=O)[O-])s3)n2C)[C@@H](C)C1 ZINC001121269081 1023681226 /nfs/dbraw/zinc/68/12/26/1023681226.db2.gz YPQFFFMNFYFPAS-NWDGAFQWSA-N 1 0 364.475 2.618 20 5 FFBDRO CCC[C@H]1CN(c2nnc([C@@H](C)[N+](=O)[O-])n2C)CC[N@@H+]1Cc1ccccc1 ZINC001121296131 1023692878 /nfs/dbraw/zinc/69/28/78/1023692878.db2.gz GBJYUWLQWPIVII-WBVHZDCISA-N 1 0 372.473 2.644 20 5 FFBDRO CCC1([NH+](C)C)CCN(C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC001123277459 1023718973 /nfs/dbraw/zinc/71/89/73/1023718973.db2.gz JDVPQGQVCISCSC-UHFFFAOYSA-N 1 0 350.419 2.942 20 5 FFBDRO Cc1cc(NC(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC001123360960 1023761743 /nfs/dbraw/zinc/76/17/43/1023761743.db2.gz STWADWSGAHOEBW-AWEZNQCLSA-N 1 0 362.430 2.620 20 5 FFBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000757511885 1023825665 /nfs/dbraw/zinc/82/56/65/1023825665.db2.gz TVQXUWJHGBDUGR-IBWPDUFMSA-N 1 0 351.406 2.999 20 5 FFBDRO C[C@H]1CN(c2ccccc2F)CCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000191620865 1023881811 /nfs/dbraw/zinc/88/18/11/1023881811.db2.gz ITIZMWRAIZWTMY-ZDUSSCGKSA-N 1 0 372.400 2.544 20 5 FFBDRO O=[N+]([O-])c1ccc(I)cc1O[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]12 ZINC001218463265 1033168788 /nfs/dbraw/zinc/16/87/88/1033168788.db2.gz ZSYQARUEPQBXDJ-HLUHBDAQSA-N 1 0 374.178 2.576 20 5 FFBDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2cc(F)cc(C)c2[N+](=O)[O-])C1 ZINC000758508254 1024146380 /nfs/dbraw/zinc/14/63/80/1024146380.db2.gz NFUMGBVLCBVRKA-OAHLLOKOSA-N 1 0 367.421 2.615 20 5 FFBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)CCc3ccc([N+](=O)[O-])cc3Cl)C[C@H]21 ZINC001121932271 1024181128 /nfs/dbraw/zinc/18/11/28/1024181128.db2.gz WQQJEZBEQVDYRA-XNRPHZJLSA-N 1 0 351.834 2.767 20 5 FFBDRO CC(=O)Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)cc1 ZINC001124193708 1024308182 /nfs/dbraw/zinc/30/81/82/1024308182.db2.gz CPRURAPIMZVLNG-UHFFFAOYSA-N 1 0 365.349 2.991 20 5 FFBDRO O=C([C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC001122137354 1024373914 /nfs/dbraw/zinc/37/39/14/1024373914.db2.gz YNWXUIHJIHNACT-QXAKKESOSA-N 1 0 357.454 2.937 20 5 FFBDRO C[NH+](C)CCN(Cc1cccc(F)c1)c1nc2ccccn2c1[N+](=O)[O-] ZINC000759697507 1024726156 /nfs/dbraw/zinc/72/61/56/1024726156.db2.gz AYVREBBASINCOK-UHFFFAOYSA-N 1 0 357.389 2.950 20 5 FFBDRO CC(C)CN(CC1CC[NH+](C)CC1)C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000829588834 1033237219 /nfs/dbraw/zinc/23/72/19/1033237219.db2.gz OXOZSCKTXJPBCT-UHFFFAOYSA-N 1 0 366.437 2.756 20 5 FFBDRO CCOC(=O)C1(Nc2ncc([N+](=O)[O-])c3ccccc32)CC[NH+](C)CC1 ZINC001158572620 1027063807 /nfs/dbraw/zinc/06/38/07/1027063807.db2.gz RGXYESJTSUMSTN-UHFFFAOYSA-N 1 0 358.398 2.582 20 5 FFBDRO Cc1nn(CN(C)CCC2CCN(c3cc[nH+]cc3)CC2)c(C)c1[N+](=O)[O-] ZINC000092295473 1027259939 /nfs/dbraw/zinc/25/99/39/1027259939.db2.gz ZEVNQBMKUNRNDH-UHFFFAOYSA-N 1 0 372.473 2.999 20 5 FFBDRO COc1ncc(Nc2cccnc2OCC2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC001159295116 1027344520 /nfs/dbraw/zinc/34/45/20/1027344520.db2.gz ICTFTYFOFXIHQX-UHFFFAOYSA-N 1 0 359.386 2.515 20 5 FFBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(NC2CC(C)(C)[NH+](C)C(C)(C)C2)n1 ZINC001159395136 1027377515 /nfs/dbraw/zinc/37/75/15/1027377515.db2.gz FLMALJJBUBXZMI-UHFFFAOYSA-N 1 0 364.450 2.715 20 5 FFBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000795645622 1027392589 /nfs/dbraw/zinc/39/25/89/1027392589.db2.gz ULZRPPLEJLNVGY-UHFFFAOYSA-N 1 0 355.354 2.985 20 5 FFBDRO Cc1c(Nc2ccc(CN3CC[NH2+]CC3)cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001159567391 1027433550 /nfs/dbraw/zinc/43/35/50/1027433550.db2.gz AEZZGBRZNSMNNB-UHFFFAOYSA-N 1 0 371.397 2.960 20 5 FFBDRO COc1nc(C)c([N+](=O)[O-])c(-n2cc(C[C@@H](C)[NH3+])c3ccc(C)cc32)n1 ZINC001160010693 1027561341 /nfs/dbraw/zinc/56/13/41/1027561341.db2.gz KMMQAZLTJFUALF-LLVKDONJSA-N 1 0 355.398 2.844 20 5 FFBDRO O=C(NCCC1=CC[N@H+](Cc2ccccc2C2CC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001160106735 1027593870 /nfs/dbraw/zinc/59/38/70/1027593870.db2.gz AETRPLKYEFYBIB-WOJBJXKFSA-N 1 0 369.465 2.868 20 5 FFBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N[C@H]2CC[NH2+]C[C@H]2C(F)(F)F)n1 ZINC001160737843 1027844449 /nfs/dbraw/zinc/84/44/49/1027844449.db2.gz REYQVYNPJXKPPF-RITPCOANSA-N 1 0 371.772 2.712 20 5 FFBDRO Cc1nn(CN2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1[N+](=O)[O-] ZINC000795710134 1027902258 /nfs/dbraw/zinc/90/22/58/1027902258.db2.gz KRMSYRJXDSGAMT-IBGZPJMESA-N 1 0 355.442 2.655 20 5 FFBDRO CCOC1CC2(C1)CC[N@H+](Cn1cnc(-c3ccc([N+](=O)[O-])cc3)n1)C2 ZINC000795719376 1027970699 /nfs/dbraw/zinc/97/06/99/1027970699.db2.gz CRJTXAICFALGPH-UHFFFAOYSA-N 1 0 357.414 2.702 20 5 FFBDRO CN1CC[NH+](CCCNc2ccc(OC(F)(F)F)c([N+](=O)[O-])c2)CC1 ZINC001161708758 1028290286 /nfs/dbraw/zinc/29/02/86/1028290286.db2.gz VGILDUCEXSJKEG-UHFFFAOYSA-N 1 0 362.352 2.543 20 5 FFBDRO CC[N@@H+]1CCCC[C@@H]1C(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC001161759282 1028306123 /nfs/dbraw/zinc/30/61/23/1028306123.db2.gz APVCXXBTNAHARE-CYBMUJFWSA-N 1 0 370.247 2.848 20 5 FFBDRO COc1cc(Nc2ccc(Br)cc2C[NH3+])ncc1[N+](=O)[O-] ZINC001161852264 1028333043 /nfs/dbraw/zinc/33/30/43/1028333043.db2.gz IYIHDOUXFZYDHW-UHFFFAOYSA-N 1 0 353.176 2.963 20 5 FFBDRO COc1nc(N(CC[NH3+])c2cccc3ccccc32)nc(C)c1[N+](=O)[O-] ZINC001162005121 1028391649 /nfs/dbraw/zinc/39/16/49/1028391649.db2.gz WEVNPOQOLOESKL-UHFFFAOYSA-N 1 0 353.382 2.952 20 5 FFBDRO COCCC1([NH3+])CCN(c2cc3ncnc(Cl)c3cc2[N+](=O)[O-])CC1 ZINC001162041060 1028411206 /nfs/dbraw/zinc/41/12/06/1028411206.db2.gz AQUUWIBMUURKPE-UHFFFAOYSA-N 1 0 365.821 2.526 20 5 FFBDRO CS(=O)(=O)N(CC[NH3+])c1cnc2c3ccccc3c3ccccc3c2n1 ZINC001162124213 1028445825 /nfs/dbraw/zinc/44/58/25/1028445825.db2.gz RWEAQNFDNMPNIQ-UHFFFAOYSA-N 1 0 366.446 2.661 20 5 FFBDRO CCOC1(OCC)CC[NH2+]C[C@H]1Nc1nc2ccccc2cc1[N+](=O)[O-] ZINC001155232897 1028637972 /nfs/dbraw/zinc/63/79/72/1028637972.db2.gz UPGKYDZBPUVNNA-MRXNPFEDSA-N 1 0 360.414 2.686 20 5 FFBDRO Cc1c(NCC[C@H]2C[NH2+]Cc3cccn3C2)ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001163061660 1028781312 /nfs/dbraw/zinc/78/13/12/1028781312.db2.gz ZYJBRKNSLFAQDR-ZDUSSCGKSA-N 1 0 359.386 2.835 20 5 FFBDRO CCOC(=O)c1ccnc(N[C@@H]2CC[NH2+][C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC001155553649 1028788653 /nfs/dbraw/zinc/78/86/53/1028788653.db2.gz UWJNPZAFWZWSPE-CABCVRRESA-N 1 0 356.382 2.682 20 5 FFBDRO COc1cccc(N(c2nc(OC)nc(C)c2[N+](=O)[O-])C2CC[NH2+]CC2)c1 ZINC001155606532 1028815517 /nfs/dbraw/zinc/81/55/17/1028815517.db2.gz VSEMKDMYVMIWHT-UHFFFAOYSA-N 1 0 373.413 2.601 20 5 FFBDRO O=[N+]([O-])c1ccc(C(F)(F)NC[C@@H]2Cc3ccccc3C[NH2+]2)nc1Cl ZINC001163271615 1028864206 /nfs/dbraw/zinc/86/42/06/1028864206.db2.gz DZWKYCUTSMBRMF-LBPRGKRZSA-N 1 0 368.771 2.997 20 5 FFBDRO O=[N+]([O-])c1ccc2nc(Cl)cc(N(c3ncccn3)C3C[NH2+]C3)c2c1 ZINC001155879409 1028956438 /nfs/dbraw/zinc/95/64/38/1028956438.db2.gz CFQCEOBIKWYNCZ-UHFFFAOYSA-N 1 0 356.773 2.696 20 5 FFBDRO O=[N+]([O-])c1c(Cl)nc(C2CC2)nc1N[C@H]1CCCC[C@@]12C[NH2+]CCO2 ZINC001163646847 1029007869 /nfs/dbraw/zinc/00/78/69/1029007869.db2.gz XXRXRXBOPRGBGO-MEDUHNTESA-N 1 0 367.837 2.629 20 5 FFBDRO O=[N+]([O-])c1cnc(N[C@@H](c2ccccc2)c2ccncc2)nc1C1C[NH2+]C1 ZINC001156099019 1029045557 /nfs/dbraw/zinc/04/55/57/1029045557.db2.gz LSLSMTQFUYGKTR-KRWDZBQOSA-N 1 0 362.393 2.668 20 5 FFBDRO O=[N+]([O-])c1c[nH]c2ccc(N3CCC[N@H+](Cc4ccncc4)CC3)nc21 ZINC001163826869 1029078029 /nfs/dbraw/zinc/07/80/29/1029078029.db2.gz MKUWXGBBPSIGGV-UHFFFAOYSA-N 1 0 352.398 2.578 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)ncnc2N1CCC[N@H+](Cc2ccncc2)CC1 ZINC001163827830 1029080969 /nfs/dbraw/zinc/08/09/69/1029080969.db2.gz WCNBHBNWVHQOBU-UHFFFAOYSA-N 1 0 364.409 2.645 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCC(COCC[NH+]3CCCC3)CC2)n1 ZINC001163881518 1029101102 /nfs/dbraw/zinc/10/11/02/1029101102.db2.gz JJOGSXYXKRYXNW-UHFFFAOYSA-N 1 0 362.474 2.935 20 5 FFBDRO Cc1cc(N2CCN(c3cc(N)c([N+](=O)[O-])cn3)CC2)c2ccccc2[nH+]1 ZINC001164198691 1029198162 /nfs/dbraw/zinc/19/81/62/1029198162.db2.gz JXVVWDBZOYASLN-UHFFFAOYSA-N 1 0 364.409 2.755 20 5 FFBDRO CS(=O)(=O)N(c1cccc(C[NH3+])c1)c1ccc2cccc([N+](=O)[O-])c2n1 ZINC001156486273 1029212974 /nfs/dbraw/zinc/21/29/74/1029212974.db2.gz KEYWXTGQZMNZFG-UHFFFAOYSA-N 1 0 372.406 2.699 20 5 FFBDRO O=[N+]([O-])c1cc(-c2ccc(-n3cnc4c3C[NH2+]CC4)nn2)ccc1Cl ZINC001164317412 1029243905 /nfs/dbraw/zinc/24/39/05/1029243905.db2.gz SCGHKBPRTFCHCZ-UHFFFAOYSA-N 1 0 356.773 2.537 20 5 FFBDRO Cc1nc(Cl)nc(N2CCC(C[NH3+])(c3ccccc3)CC2)c1[N+](=O)[O-] ZINC001164435850 1029281307 /nfs/dbraw/zinc/28/13/07/1029281307.db2.gz RKIIPVVZVMEUEQ-UHFFFAOYSA-N 1 0 361.833 2.844 20 5 FFBDRO CC1(C)CCC(C[NH2+]CC2(CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1 ZINC001164494235 1029298211 /nfs/dbraw/zinc/29/82/11/1029298211.db2.gz ANCLEBMNTDXPSN-HZPDHXFCSA-N 1 0 351.491 2.744 20 5 FFBDRO CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC001156675419 1029300772 /nfs/dbraw/zinc/30/07/72/1029300772.db2.gz IVMQXIZXNLRCGO-SFHVURJKSA-N 1 0 362.474 2.976 20 5 FFBDRO CCC[NH+]1C[C@H]2CN(C(F)(F)c3ccc([N+](=O)[O-])c(Cl)n3)C[C@@H]2C1 ZINC001157692606 1029646665 /nfs/dbraw/zinc/64/66/65/1029646665.db2.gz XEQYHTQUBBZLFS-QWRGUYRKSA-N 1 0 360.792 2.966 20 5 FFBDRO COC(=O)c1ccnc(N[C@@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)c1[N+](=O)[O-] ZINC001158263402 1029778190 /nfs/dbraw/zinc/77/81/90/1029778190.db2.gz CKTPQZHWMMOAGX-DIFFPNOSSA-N 1 0 350.419 2.732 20 5 FFBDRO O=[N+]([O-])c1cccc2ncnc(N(c3ccncc3F)C3CC[NH2+]CC3)c21 ZINC001158347651 1029806204 /nfs/dbraw/zinc/80/62/04/1029806204.db2.gz OCJZRESRZNKRHA-UHFFFAOYSA-N 1 0 368.372 2.962 20 5 FFBDRO COC(=O)c1ncc([N+](=O)[O-])c(C)c1NCC1C[NH+](Cc2ccccc2)C1 ZINC001165443247 1029983301 /nfs/dbraw/zinc/98/33/01/1029983301.db2.gz ZJFMTWJSQQUOGA-UHFFFAOYSA-N 1 0 370.409 2.629 20 5 FFBDRO C[N@H+](C[C@@H]1CC=CCC1)CN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000784011337 1030414601 /nfs/dbraw/zinc/41/46/01/1030414601.db2.gz PNQAFAMAWFKVTE-KUHUBIRLSA-N 1 0 372.425 2.607 20 5 FFBDRO CS(=O)(=O)N(c1cccc(C[NH3+])c1)c1cc2cccnc2c([N+](=O)[O-])c1 ZINC001166484780 1030419700 /nfs/dbraw/zinc/41/97/00/1030419700.db2.gz DFBPTKMVCFEYTM-UHFFFAOYSA-N 1 0 372.406 2.699 20 5 FFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C2CN(c3ccncn3)C2)o1 ZINC001203434965 1030697555 /nfs/dbraw/zinc/69/75/55/1030697555.db2.gz XPNXHDRKKUOILD-UHFFFAOYSA-N 1 0 351.366 2.623 20 5 FFBDRO C[NH2+]C[C@H](C)c1noc(-c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)n1 ZINC000842576525 1030794441 /nfs/dbraw/zinc/79/44/41/1030794441.db2.gz JCNGMVXTEUHQMF-NSHDSACASA-N 1 0 370.413 2.829 20 5 FFBDRO C/C(=C\C(=O)OC[C@@H]1C[N@H+](CC(C)C)CCO1)c1ccc([N+](=O)[O-])cc1 ZINC000784870964 1030855406 /nfs/dbraw/zinc/85/54/06/1030855406.db2.gz JUGTWXMKMUZMFO-KAPURRDVSA-N 1 0 362.426 2.898 20 5 FFBDRO Cn1cc([N+](=O)[O-])cc1-c1nc(-c2ccc(N3CCC([NH3+])CC3)cc2)no1 ZINC000843144116 1031209269 /nfs/dbraw/zinc/20/92/69/1031209269.db2.gz XQBHAZFWPHLYPM-UHFFFAOYSA-N 1 0 368.397 2.578 20 5 FFBDRO O=C(CCN1CCC([NH2+]CC2CC2)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000843352558 1031345514 /nfs/dbraw/zinc/34/55/14/1031345514.db2.gz NDINPJYDUGSLJX-UHFFFAOYSA-N 1 0 364.421 2.527 20 5 FFBDRO N[C@@H](CCc1ccc(O)cc1)c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001205182301 1031579653 /nfs/dbraw/zinc/57/96/53/1031579653.db2.gz QGBOWBGQTGOLJB-LBPRGKRZSA-N 1 0 359.317 2.517 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCCC2(CC[NH+](C)CC2)C1 ZINC000799179695 1031682836 /nfs/dbraw/zinc/68/28/36/1031682836.db2.gz RLRDPYCTFLAMQT-UHFFFAOYSA-N 1 0 360.458 2.650 20 5 FFBDRO Cc1cc(C)cc(C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCCCC2)c1 ZINC001115530932 1031789316 /nfs/dbraw/zinc/78/93/16/1031789316.db2.gz ZVSUVAQCXQGEFN-QZTJIDSGSA-N 1 0 359.470 2.877 20 5 FFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](CCO)Cc1ccccc1 ZINC000799731878 1031867178 /nfs/dbraw/zinc/86/71/78/1031867178.db2.gz ROJOXARDRPTYFQ-MAUKXSAKSA-N 1 0 371.437 2.895 20 5 FFBDRO COc1cc(COC[C@@H]2CCC3(CC[NH+](C)CC3)O2)cc([N+](=O)[O-])c1 ZINC001223393366 1033422978 /nfs/dbraw/zinc/42/29/78/1033422978.db2.gz UAFLOOHFNSDUIH-INIZCTEOSA-N 1 0 350.415 2.763 20 5 FFBDRO Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)Nc3ccc(N)c([N+](=O)[O-])c3)C2)cc1 ZINC001219452466 1033649528 /nfs/dbraw/zinc/64/95/28/1033649528.db2.gz OXIGGLIXGPEQTI-MRXNPFEDSA-N 1 0 369.425 2.881 20 5 FFBDRO O=[N+]([O-])c1ccc(OCCO[C@H]2COCC[N@H+](Cc3ccccc3)C2)cc1 ZINC001224779000 1034003581 /nfs/dbraw/zinc/00/35/81/1034003581.db2.gz PEYXCNWQFOIFEU-HXUWFJFHSA-N 1 0 372.421 2.891 20 5 FFBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1c(F)cc(Br)cc1Cl ZINC001225962192 1034471579 /nfs/dbraw/zinc/47/15/79/1034471579.db2.gz GREABWXTYUFBAT-SECBINFHSA-N 1 0 369.638 2.604 20 5 FFBDRO CO[C@@H]1C[C@H]([N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C12CCC2 ZINC000832208865 1034632095 /nfs/dbraw/zinc/63/20/95/1034632095.db2.gz DLDVAIHUFVGTLP-JKSUJKDBSA-N 1 0 365.405 2.952 20 5 FFBDRO CC[N@@H+]1CC[C@H](Oc2c(C(=O)OC)cc(Br)cc2[N+](=O)[O-])C1 ZINC001226358057 1034649224 /nfs/dbraw/zinc/64/92/24/1034649224.db2.gz OJWDNCJUIXGAAJ-JTQLQIEISA-N 1 0 373.203 2.617 20 5 FFBDRO COC(=O)c1cc(OC2CCC([NH+](C)C)CC2)c(OC)cc1[N+](=O)[O-] ZINC001226440584 1034686304 /nfs/dbraw/zinc/68/63/04/1034686304.db2.gz WYJREIWUDVOAMP-UHFFFAOYSA-N 1 0 352.387 2.642 20 5 FFBDRO Cc1cnc(O[C@H](C)[C@H]2CN(Cc3ccccc3)CCO2)c([N+](=O)[O-])c1 ZINC001227236011 1034980879 /nfs/dbraw/zinc/98/08/79/1034980879.db2.gz BEGRTOFDDXSIPR-CRAIPNDOSA-N 1 0 357.410 2.967 20 5 FFBDRO CN(CC(=O)NC1CCC(C)([NH+]2CCC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000834788684 1035449767 /nfs/dbraw/zinc/44/97/67/1035449767.db2.gz MIQRRNNMZZYBGC-UHFFFAOYSA-N 1 0 360.458 2.554 20 5 FFBDRO COC(=O)c1ccc(OC2CCN(c3cc[nH+]cc3)CC2)c([N+](=O)[O-])c1 ZINC001227296542 1035497757 /nfs/dbraw/zinc/49/77/57/1035497757.db2.gz YFGVNJJDNIOMRF-UHFFFAOYSA-N 1 0 357.366 2.824 20 5 FFBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ncnc2scc(-c3ccccc3)c21 ZINC001228622865 1036211573 /nfs/dbraw/zinc/21/15/73/1036211573.db2.gz GCYKTPHKRKQMHD-CQSZACIVSA-N 1 0 372.470 2.721 20 5 FFBDRO C[C@@H](C[N+](C)(C)C)Oc1cc(I)ccc1[N+](=O)[O-] ZINC001229153353 1036525651 /nfs/dbraw/zinc/52/56/51/1036525651.db2.gz FJUKPGXJIOIAIM-VIFPVBQESA-N 1 0 365.191 2.673 20 5 FFBDRO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC001536567955 1070008734 /nfs/dbraw/zinc/00/87/34/1070008734.db2.gz MUMULDYDLUBSKX-ZDUSSCGKSA-N 1 0 370.247 2.846 20 5 FFBDRO Cc1ccnc([N+](=O)[O-])c1OC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001233556889 1036680486 /nfs/dbraw/zinc/68/04/86/1036680486.db2.gz QKXFXPUFYPNJBO-KRWDZBQOSA-N 1 0 357.410 2.968 20 5 FFBDRO C[C@@H](C[N+](C)(C)C)Oc1ncc(I)c2cccnc21 ZINC001233882190 1036801196 /nfs/dbraw/zinc/80/11/96/1036801196.db2.gz BBGFJXLZRLMDAZ-JTQLQIEISA-N 1 0 372.230 2.708 20 5 FFBDRO COc1cc(C[NH+](C)C)cc(F)c1O[C@H](C)Cn1c(C)ncc1[N+](=O)[O-] ZINC001234242454 1036971806 /nfs/dbraw/zinc/97/18/06/1036971806.db2.gz BNFKDGMZBQYTRC-LLVKDONJSA-N 1 0 366.393 2.777 20 5 FFBDRO CCO[C@H](CNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C[NH+](C)C ZINC001207502518 1037500876 /nfs/dbraw/zinc/50/08/76/1037500876.db2.gz VXIMUGWAVVWYPS-GFCCVEGCSA-N 1 0 350.246 2.958 20 5 FFBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cc2ccccc2cc1Br ZINC001231314253 1037529878 /nfs/dbraw/zinc/52/98/78/1037529878.db2.gz SXDLCIHFRAUNFR-CQSZACIVSA-N 1 0 367.263 2.965 20 5 FFBDRO CC(C)N(CC[N@H+](C)Cc1ccc(C2CC2)cc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001278907821 1038350898 /nfs/dbraw/zinc/35/08/98/1038350898.db2.gz JDDFFCXJOZFXOY-RTBURBONSA-N 1 0 359.470 2.898 20 5 FFBDRO COc1cc(N2CCC([NH2+][C@@H](CO)C(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC001256087762 1038371964 /nfs/dbraw/zinc/37/19/64/1038371964.db2.gz OKTFLEDFDZPKTO-KRWDZBQOSA-N 1 0 351.447 2.569 20 5 FFBDRO COc1cc(N2CCC([NH2+]CCc3cncs3)CC2)ccc1[N+](=O)[O-] ZINC001256090310 1038374547 /nfs/dbraw/zinc/37/45/47/1038374547.db2.gz QMSNSEXMRKZLKO-UHFFFAOYSA-N 1 0 362.455 2.861 20 5 FFBDRO COc1cc(N2CCC([N@@H+]3C[C@@H](CO)CC[C@H]3C)CC2)ccc1[N+](=O)[O-] ZINC001256092907 1038377159 /nfs/dbraw/zinc/37/71/59/1038377159.db2.gz AYVRLHZUKFRARH-CABCVRRESA-N 1 0 363.458 2.665 20 5 FFBDRO COc1cc(N2CCC([NH2+][C@]3(C)CCCN(C)C3)CC2)ccc1[N+](=O)[O-] ZINC001256092402 1038377431 /nfs/dbraw/zinc/37/74/31/1038377431.db2.gz MAGODPXINAPQHM-LJQANCHMSA-N 1 0 362.474 2.646 20 5 FFBDRO COc1cc(N2CCC([N@H+]3CCC(=O)[C@H](F)CC3)CC2)ccc1[N+](=O)[O-] ZINC001256093399 1038380060 /nfs/dbraw/zinc/38/00/60/1038380060.db2.gz KYNFJXNIECNRCI-OAHLLOKOSA-N 1 0 365.405 2.575 20 5 FFBDRO COc1cc(N2CCC([N@H+](C)CCN3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC001256100254 1038384076 /nfs/dbraw/zinc/38/40/76/1038384076.db2.gz CBXBKOBVNAGCLW-UHFFFAOYSA-N 1 0 362.474 2.600 20 5 FFBDRO COc1cc(N2CCC(n3c(C)nc4c3C[NH2+]CC4)CC2)ccc1[N+](=O)[O-] ZINC001256100595 1038384783 /nfs/dbraw/zinc/38/47/83/1038384783.db2.gz KVHKPOPDFAJOCT-UHFFFAOYSA-N 1 0 371.441 2.596 20 5 FFBDRO CC1([NH+]2CCC2)CCC(NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC001537181714 1070138937 /nfs/dbraw/zinc/13/89/37/1070138937.db2.gz VLTHLFTWLNJCOP-UHFFFAOYSA-N 1 0 357.414 2.608 20 5 FFBDRO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)O[C@@H](C)C[N+](=O)[O-])C1 ZINC000814047900 1038972534 /nfs/dbraw/zinc/97/25/34/1038972534.db2.gz YUGBGGPTMPYNII-AWEZNQCLSA-N 1 0 359.426 2.616 20 5 FFBDRO Cc1cc(-c2nnc(CC[NH+]3C[C@H](C)O[C@@H](C)C3)o2)c([N+](=O)[O-])cc1C ZINC001258153900 1039234501 /nfs/dbraw/zinc/23/45/01/1039234501.db2.gz RTLUZOBVDLIWLM-KBPBESRZSA-N 1 0 360.414 2.913 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CCCC[C@@](F)(C[NH3+])C2)c1F ZINC001246573519 1039402622 /nfs/dbraw/zinc/40/26/22/1039402622.db2.gz DANUXFBTOBNKGZ-SJKOYZFVSA-N 1 0 357.401 2.826 20 5 FFBDRO NC[C@]1(F)CCCC[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001246580951 1039403350 /nfs/dbraw/zinc/40/33/50/1039403350.db2.gz ONNHHEDISNWTOC-GOSISDBHSA-N 1 0 350.438 2.717 20 5 FFBDRO C[Si](C)(C)CCOC[NH2+][C@@H]1CCCN([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001246898291 1039524611 /nfs/dbraw/zinc/52/46/11/1039524611.db2.gz YIVGWNOLHRKMLZ-BBWFWOEESA-N 1 0 357.571 2.798 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N(C2CC2)[C@@H]2CCC[NH2+]C2)c1F ZINC001246904203 1039526628 /nfs/dbraw/zinc/52/66/28/1039526628.db2.gz FOUOLEHKTUGENC-GXTWGEPZSA-N 1 0 351.422 2.890 20 5 FFBDRO COC(=O)[C@@H](O)CNc1cc2[nH+]c3cc(N(C)C)ccc3cc2cc1C ZINC001252433374 1039537023 /nfs/dbraw/zinc/53/70/23/1039537023.db2.gz LWFSGYBJKMMRBQ-IBGZPJMESA-N 1 0 353.422 2.708 20 5 FFBDRO Cc1c(Nc2ccc(N3CC[NH+](C)CC3)nc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001211292586 1040066821 /nfs/dbraw/zinc/06/68/21/1040066821.db2.gz OQDTYEDDYWSDOE-UHFFFAOYSA-N 1 0 372.385 2.702 20 5 FFBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCCC[C@H]1[C@@H](C)C[NH+](C)C ZINC001213255347 1040380166 /nfs/dbraw/zinc/38/01/66/1040380166.db2.gz MSFAUTNSDDFTKE-ZFWWWQNUSA-N 1 0 369.487 2.644 20 5 FFBDRO Cn1cc2cccc(-c3noc(C[C@@H]([NH3+])c4cccc([N+](=O)[O-])c4)n3)c2n1 ZINC001249276660 1040662681 /nfs/dbraw/zinc/66/26/81/1040662681.db2.gz CXFWSRVDMOSCSX-OAHLLOKOSA-N 1 0 364.365 2.774 20 5 FFBDRO O=c1ccc2c([nH]1)CC[C@@H]([NH2+]C1CCN(c3ccc([N+](=O)[O-])cc3)CC1)C2 ZINC001254464296 1040733404 /nfs/dbraw/zinc/73/34/04/1040733404.db2.gz DRARDUMIVWDIJI-MRXNPFEDSA-N 1 0 368.437 2.811 20 5 FFBDRO COC(=O)[C@@H]1CCC[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)[C@H]1C ZINC001254479691 1040744636 /nfs/dbraw/zinc/74/46/36/1040744636.db2.gz HWLIDPOPHJSTBW-KBXCAEBGSA-N 1 0 361.442 2.837 20 5 FFBDRO CC(=O)N1CC[C@@H]([N@@H+](C(C)C)C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254481129 1040746855 /nfs/dbraw/zinc/74/68/55/1040746855.db2.gz TYHTZIZBAMVOPF-HXUWFJFHSA-N 1 0 374.485 2.895 20 5 FFBDRO CN1C(=O)CC[C@@H]2C[N@H+](C3CCN(c4ccc([N+](=O)[O-])cc4)CC3)CC[C@H]21 ZINC001254481306 1040748165 /nfs/dbraw/zinc/74/81/65/1040748165.db2.gz AQQZMDUUFJKLLF-DNVCBOLYSA-N 1 0 372.469 2.506 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC001254536506 1040787165 /nfs/dbraw/zinc/78/71/65/1040787165.db2.gz PMNADMULKIRRIG-MAUKXSAKSA-N 1 0 353.422 2.917 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1C[C@H]2CN(C(=O)c3ccco3)C[C@@H]2C1 ZINC001254555574 1040794847 /nfs/dbraw/zinc/79/48/47/1040794847.db2.gz HQWUWMNBOACOIZ-PVAVHDDUSA-N 1 0 369.421 2.823 20 5 FFBDRO COc1ccc(CN2CC[NH+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC2)cc1 ZINC001254598021 1040828417 /nfs/dbraw/zinc/82/84/17/1040828417.db2.gz GNBMOTDYZIUYQE-HXUWFJFHSA-N 1 0 367.449 2.888 20 5 FFBDRO O=C(c1ccco1)N1CCC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254604029 1040832424 /nfs/dbraw/zinc/83/24/24/1040832424.db2.gz STKCTPBBEDHEHR-KRWDZBQOSA-N 1 0 355.394 2.503 20 5 FFBDRO Cc1cc(C)c(NC(=O)C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC001262596172 1041744126 /nfs/dbraw/zinc/74/41/26/1041744126.db2.gz UXXKGTWZQYWEIJ-QGZVFWFLSA-N 1 0 357.410 2.782 20 5 FFBDRO [NH3+]C[C@@]12CC[C@@H]1CCCN2C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC001263238512 1042192466 /nfs/dbraw/zinc/19/24/66/1042192466.db2.gz MYFAELNTWDZOON-BONVTDFDSA-N 1 0 368.231 2.701 20 5 FFBDRO Cc1ccc(NC(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)cc1[N+](=O)[O-] ZINC001310095969 1043634629 /nfs/dbraw/zinc/63/46/29/1043634629.db2.gz CVOXGVHXVHWZLH-UKRRQHHQSA-N 1 0 350.444 2.605 20 5 FFBDRO CC[N@@H+]1CC[C@H](Cn2c(C)nnc2N(C)CCc2ccccc2[N+](=O)[O-])C1 ZINC001313883910 1044436907 /nfs/dbraw/zinc/43/69/07/1044436907.db2.gz LENHOZJULMPVPT-INIZCTEOSA-N 1 0 372.473 2.515 20 5 FFBDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001319335426 1045113892 /nfs/dbraw/zinc/11/38/92/1045113892.db2.gz CYJIAMOYOBEYEO-HNNXBMFYSA-N 1 0 360.458 2.988 20 5 FFBDRO C[N@@H+]1CC[C@@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(F)cc1 ZINC001319574567 1045200716 /nfs/dbraw/zinc/20/07/16/1045200716.db2.gz ZUYHLWHXKXHYIN-QZTJIDSGSA-N 1 0 372.400 2.979 20 5 FFBDRO Cc1nccn1-c1cc[nH+]cc1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001318479246 1045310493 /nfs/dbraw/zinc/31/04/93/1045310493.db2.gz CLTMKKMXYWVJBM-UHFFFAOYSA-N 1 0 363.337 2.613 20 5 FFBDRO O=[N+]([O-])c1ccc2[nH]cc(Cc3nc([C@H]4C[NH+]5CCC4CC5)no3)c2c1 ZINC001321124103 1045554143 /nfs/dbraw/zinc/55/41/43/1045554143.db2.gz OJMWWILNJJQTRW-HNNXBMFYSA-N 1 0 353.382 2.859 20 5 FFBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC001323392346 1045573214 /nfs/dbraw/zinc/57/32/14/1045573214.db2.gz MJTZOLHHUGKNRS-UHFFFAOYSA-N 1 0 369.425 2.678 20 5 FFBDRO C[C@@H](NC(=O)c1ccccc1N1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC001322798043 1046229703 /nfs/dbraw/zinc/22/97/03/1046229703.db2.gz ZINBYNVWLFVLBX-OAHLLOKOSA-N 1 0 368.437 2.838 20 5 FFBDRO Cn1cc(N2CC[C@H]([NH2+][C@@H]3CCCCc4ccc([N+](=O)[O-])cc43)C2)cn1 ZINC001325313962 1046464268 /nfs/dbraw/zinc/46/42/68/1046464268.db2.gz UJLNVZGJZFVPFO-HNAYVOBHSA-N 1 0 355.442 2.964 20 5 FFBDRO CCOc1cc(NC(=O)NCC[C@@H](C)[NH2+]C)c([N+](=O)[O-])cc1OCC ZINC001325611362 1046577825 /nfs/dbraw/zinc/57/78/25/1046577825.db2.gz UGCMNUIPHXQOLT-LLVKDONJSA-N 1 0 354.407 2.512 20 5 FFBDRO Cc1ccc(C[N@@H+]2CCCN(c3c(C(N)=O)cccc3[N+](=O)[O-])CC2)cc1 ZINC001325759403 1046631437 /nfs/dbraw/zinc/63/14/37/1046631437.db2.gz RWLLIHOUJLKBSL-UHFFFAOYSA-N 1 0 368.437 2.714 20 5 FFBDRO Cc1cc([C@@H]([NH3+])CC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)cc(Cl)n1 ZINC001326059956 1046748309 /nfs/dbraw/zinc/74/83/09/1046748309.db2.gz GCXGXQXHASVLTB-INIZCTEOSA-N 1 0 374.828 2.926 20 5 FFBDRO O=C(C1C[NH+](C2CCCCC2)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001540388626 1070869131 /nfs/dbraw/zinc/86/91/31/1070869131.db2.gz CVIMQYZIJANULE-UHFFFAOYSA-N 1 0 372.469 2.508 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCCC[C@H]2[NH+](C)C)cc1SC ZINC001327545292 1047941090 /nfs/dbraw/zinc/94/10/90/1047941090.db2.gz XOJAGQVAHHFOEL-QWHCGFSZSA-N 1 0 367.471 2.928 20 5 FFBDRO O=C(NC[C@H]1C[NH2+]CCC1(F)F)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001331468077 1047955485 /nfs/dbraw/zinc/95/54/85/1047955485.db2.gz SJCUNBNAKITLQP-CYBMUJFWSA-N 1 0 368.384 2.514 20 5 FFBDRO CC1CC[NH+](CCCNC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)CC1 ZINC001290256517 1047956452 /nfs/dbraw/zinc/95/64/52/1047956452.db2.gz UWNREWOYWPNBPX-UHFFFAOYSA-N 1 0 372.828 2.821 20 5 FFBDRO CC[NH+](CC)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1N)Cc1ccccc1 ZINC001290413869 1048100438 /nfs/dbraw/zinc/10/04/38/1048100438.db2.gz YWAFYQKIXOHLPQ-KRWDZBQOSA-N 1 0 370.453 2.860 20 5 FFBDRO CC1CC[NH+](CCc2nnc(COc3ccc([N+](=O)[O-])c(F)c3)o2)CC1 ZINC001330052171 1049020251 /nfs/dbraw/zinc/02/02/51/1049020251.db2.gz UUSMBYMNOGJEIS-UHFFFAOYSA-N 1 0 364.377 2.970 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@H]2CN(c3ncc(Br)cc3[N+](=O)[O-])C[C@H]2C1 ZINC001333826311 1049133814 /nfs/dbraw/zinc/13/38/14/1049133814.db2.gz LZSLTNGTDBFBRD-DMDPSCGWSA-N 1 0 369.263 2.919 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)CCC(=O)c3cccc([N+](=O)[O-])c3)C[C@H]2C1 ZINC001333927430 1049171024 /nfs/dbraw/zinc/17/10/24/1049171024.db2.gz CTABYLHMXDVRIA-GVDBMIGSSA-N 1 0 373.453 2.746 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)NCCc3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC001334216184 1049315953 /nfs/dbraw/zinc/31/59/53/1049315953.db2.gz XBRJCJVZJMEHDH-IXDOHACOSA-N 1 0 360.458 2.509 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)NCc2ccc(OCCC[NH+](C)C)cc2)n1 ZINC001292922759 1049440118 /nfs/dbraw/zinc/44/01/18/1049440118.db2.gz IYIJLROWBWYTPC-UHFFFAOYSA-N 1 0 372.425 2.559 20 5 FFBDRO CCc1ccc([N+](=O)[O-])cc1-c1nnc(N2CCC([NH2+]C(C)C)CC2)n1C ZINC001341790935 1050403030 /nfs/dbraw/zinc/40/30/30/1050403030.db2.gz WQWWXFGZULQHSX-UHFFFAOYSA-N 1 0 372.473 2.920 20 5 FFBDRO C[NH+](C)CCOc1ccc(CCC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC001298875163 1050554578 /nfs/dbraw/zinc/55/45/78/1050554578.db2.gz IBXURUHVDZNGLC-UHFFFAOYSA-N 1 0 372.425 2.689 20 5 FFBDRO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)N1CCC2(CC[NH2+]C2)CC1 ZINC001340298814 1050698393 /nfs/dbraw/zinc/69/83/93/1050698393.db2.gz GIZVGZVMUGNEON-UHFFFAOYSA-N 1 0 351.834 2.783 20 5 FFBDRO CC(C)(C(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC001342480883 1051081709 /nfs/dbraw/zinc/08/17/09/1051081709.db2.gz GKPWOIYFBZJSCB-QWHCGFSZSA-N 1 0 359.348 2.611 20 5 FFBDRO [NH3+][C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[C@H]1C(F)(F)F ZINC001342492241 1051094395 /nfs/dbraw/zinc/09/43/95/1051094395.db2.gz OORNSWGKAURUOP-KOLCDFICSA-N 1 0 351.712 2.600 20 5 FFBDRO O=C(Nc1ccc2c(c1)OCC[NH2+]C2)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001340843119 1051181230 /nfs/dbraw/zinc/18/12/30/1051181230.db2.gz JZXXIHOMWQPNJS-DLBZAZTESA-N 1 0 353.378 2.819 20 5 FFBDRO Cc1n[nH]c(C(=O)N(C)C[C@H]2CCCC[N@@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC001302849473 1051212969 /nfs/dbraw/zinc/21/29/69/1051212969.db2.gz NQMCJFMCWSAZLM-MRXNPFEDSA-N 1 0 371.441 2.753 20 5 FFBDRO CC1([NH+]2CCC2)CCN(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC001303025737 1051256717 /nfs/dbraw/zinc/25/67/17/1051256717.db2.gz HMJFHCZBPYFECZ-UHFFFAOYSA-N 1 0 351.834 2.878 20 5 FFBDRO C[C@H](CNC(=O)[C@]1(c2ccccc2)CC[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC001342946026 1051560663 /nfs/dbraw/zinc/56/06/63/1051560663.db2.gz YTVMDSZZACIHFD-FOIQADDNSA-N 1 0 353.422 2.746 20 5 FFBDRO O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CC[C@]2(C1)CCCC[NH2+]2 ZINC001341339537 1051695914 /nfs/dbraw/zinc/69/59/14/1051695914.db2.gz PQBFXARRIUIWPD-HNNXBMFYSA-N 1 0 357.332 2.972 20 5 FFBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CC[C@]2(C1)CCCC[NH2+]2 ZINC001341339889 1051697214 /nfs/dbraw/zinc/69/72/14/1051697214.db2.gz SUUBXASLJKARNZ-INIZCTEOSA-N 1 0 355.797 2.674 20 5 FFBDRO CC[NH+](CC)CC[C@@H](NC(=O)c1cnc(N)c([N+](=O)[O-])c1)c1ccccc1 ZINC001305635642 1051931176 /nfs/dbraw/zinc/93/11/76/1051931176.db2.gz XBYQEPZGEMLXNV-MRXNPFEDSA-N 1 0 371.441 2.775 20 5 FFBDRO O=C(O[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1)[C@H]1Cc2cccnc2C1 ZINC001345006775 1052194743 /nfs/dbraw/zinc/19/47/43/1052194743.db2.gz MKBZZWAWDKPJJP-WMZOPIPTSA-N 1 0 367.405 2.522 20 5 FFBDRO CC(C)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CC[N@@H+]1C ZINC001306887638 1052212282 /nfs/dbraw/zinc/21/22/82/1052212282.db2.gz KYIHFOWNPKIJDJ-LJQANCHMSA-N 1 0 374.485 2.997 20 5 FFBDRO COCC[N@H+]1[C@H](C)CN(c2c3cc(F)ccc3ncc2[N+](=O)[O-])C[C@@H]1C ZINC001307151613 1052258910 /nfs/dbraw/zinc/25/89/10/1052258910.db2.gz UKFJLRQKKMREMU-BETUJISGSA-N 1 0 362.405 2.828 20 5 FFBDRO O=C(CCc1cc(F)ccc1[N+](=O)[O-])NC[C@@H]1[NH2+]CCc2ccccc21 ZINC001343488004 1052262264 /nfs/dbraw/zinc/26/22/64/1052262264.db2.gz TVQPYEHQQVHMIM-KRWDZBQOSA-N 1 0 357.385 2.670 20 5 FFBDRO Cc1nc(NCCC2(O)CC[NH+](Cc3ccccc3)CC2)ncc1[N+](=O)[O-] ZINC001307197583 1052265395 /nfs/dbraw/zinc/26/53/95/1052265395.db2.gz YYUQUVYSFUMMJR-UHFFFAOYSA-N 1 0 371.441 2.522 20 5 FFBDRO CC(C)[N@H+](C)CC1CCN(c2nnc([C@@H](C)[N+](=O)[O-])n2CC2CC2)CC1 ZINC001345163785 1052298418 /nfs/dbraw/zinc/29/84/18/1052298418.db2.gz ZXTUSXILKJOAKN-CQSZACIVSA-N 1 0 364.494 2.582 20 5 FFBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](C[C@@H]3COC4(CCCCC4)O3)C2)nc1 ZINC001307544203 1052319499 /nfs/dbraw/zinc/31/94/99/1052319499.db2.gz DPRQZOCNYYDXKJ-GOEBONIOSA-N 1 0 362.430 2.552 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@H]1CCC[NH2+]CC1 ZINC001343642189 1052351923 /nfs/dbraw/zinc/35/19/23/1052351923.db2.gz VVEMKUZDSPHENV-RYUDHWBXSA-N 1 0 355.822 2.521 20 5 FFBDRO Cc1c(NC(=O)CC[NH2+]CC2(C3(O)CCC3)CCC2)cccc1[N+](=O)[O-] ZINC001308065687 1052397868 /nfs/dbraw/zinc/39/78/68/1052397868.db2.gz POQDCRCDUZKWDX-UHFFFAOYSA-N 1 0 361.442 2.907 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[N@H+](C2CCCC2)[C@@H](C)C1 ZINC001308080244 1052401322 /nfs/dbraw/zinc/40/13/22/1052401322.db2.gz VNXYWYLCQVJJQW-HNNXBMFYSA-N 1 0 360.458 2.790 20 5 FFBDRO C[C@](CO)(Cc1ccc(F)cc1)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001308116849 1052410299 /nfs/dbraw/zinc/41/02/99/1052410299.db2.gz FIZKAFZGWJAFJP-GOSISDBHSA-N 1 0 358.373 2.694 20 5 FFBDRO COc1ccc(CNc2ccc(N3CC[C@@H]([NH+](C)C)C3)cn2)cc1[N+](=O)[O-] ZINC001308336997 1052448111 /nfs/dbraw/zinc/44/81/11/1052448111.db2.gz HQIOBQACDLPTMP-MRXNPFEDSA-N 1 0 371.441 2.751 20 5 FFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@@H+]1CCC[C@@H]1CN1CCOCC1 ZINC001308578993 1052471707 /nfs/dbraw/zinc/47/17/07/1052471707.db2.gz WHFCELZBXKQCNS-OAHLLOKOSA-N 1 0 373.375 2.910 20 5 FFBDRO Cc1cccc(C[C@H](C)[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC001308671699 1052484479 /nfs/dbraw/zinc/48/44/79/1052484479.db2.gz YFHLLEUOCQQHMN-HNNXBMFYSA-N 1 0 362.451 2.898 20 5 FFBDRO Cc1ccnc(-c2n[nH]c([C@H](C)[NH2+]CCc3ccc([N+](=O)[O-])cc3)n2)c1 ZINC001308720626 1052491204 /nfs/dbraw/zinc/49/12/04/1052491204.db2.gz MXXUQZIMXOCHJU-ZDUSSCGKSA-N 1 0 352.398 2.977 20 5 FFBDRO Cc1cc(S(=O)(=O)NCCC[N@H+]2CCCC[C@@H]2C)c([N+](=O)[O-])s1 ZINC001309015619 1052539375 /nfs/dbraw/zinc/53/93/75/1052539375.db2.gz CYGKFYPXRRDKIV-NSHDSACASA-N 1 0 361.489 2.508 20 5 FFBDRO COc1ccc(NC(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC001344748458 1052914506 /nfs/dbraw/zinc/91/45/06/1052914506.db2.gz ISOYAHISQSGTQS-HNNXBMFYSA-N 1 0 372.425 2.898 20 5 FFBDRO C[C@@H](CNC(=O)NCc1cccc2c1CC[NH2+]C2)c1ccccc1[N+](=O)[O-] ZINC001346649800 1053186080 /nfs/dbraw/zinc/18/60/80/1053186080.db2.gz UXKXLTKQRGNNEL-AWEZNQCLSA-N 1 0 368.437 2.843 20 5 FFBDRO Cn1ncc([N+](=O)[O-])c1N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC001335442048 1053366774 /nfs/dbraw/zinc/36/67/74/1053366774.db2.gz VTHHSUALZFKUSH-DLBZAZTESA-N 1 0 355.442 2.819 20 5 FFBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001335452855 1053374509 /nfs/dbraw/zinc/37/45/09/1053374509.db2.gz QGMWCSQVGMQEFK-LJQANCHMSA-N 1 0 360.458 2.845 20 5 FFBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1Nc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC001336560211 1054062616 /nfs/dbraw/zinc/06/26/16/1054062616.db2.gz FBULVXIDCIYTAW-GUYCJALGSA-N 1 0 358.442 2.725 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C3CCOCC3)CC2)c2ccncc21 ZINC001336725975 1054170263 /nfs/dbraw/zinc/17/02/63/1054170263.db2.gz LAHYNGAYUBCJPE-UHFFFAOYSA-N 1 0 356.426 2.880 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CC[C@H]4[C@@H](C3)C4(F)F)CC2)cn1 ZINC001336759310 1054201704 /nfs/dbraw/zinc/20/17/04/1054201704.db2.gz VRGKOZDUMMCXFB-VHDGCEQUSA-N 1 0 352.385 2.982 20 5 FFBDRO O=C(Nc1ccc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1)C1CC1 ZINC001348950494 1055014956 /nfs/dbraw/zinc/01/49/56/1055014956.db2.gz DKZXBYBYYMVODJ-SFHVURJKSA-N 1 0 355.394 2.767 20 5 FFBDRO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)[C@H]2C1 ZINC001337835850 1055047700 /nfs/dbraw/zinc/04/77/00/1055047700.db2.gz XZJJFULYVSVQCC-DUFXMDAXSA-N 1 0 357.332 2.684 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)C[C@H]2C1 ZINC001352168051 1055237325 /nfs/dbraw/zinc/23/73/25/1055237325.db2.gz BSKKWMIRUVMCEZ-NUEKZKHPSA-N 1 0 370.453 2.807 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)C[C@@H]2C1 ZINC001352168046 1055237889 /nfs/dbraw/zinc/23/78/89/1055237889.db2.gz BSKKWMIRUVMCEZ-CWRNSKLLSA-N 1 0 370.453 2.807 20 5 FFBDRO O=C([C@H]1CC[N@H+](Cc2ccccc2)C1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001349788170 1055468387 /nfs/dbraw/zinc/46/83/87/1055468387.db2.gz WMLULGUHIBRDGI-KRWDZBQOSA-N 1 0 351.406 2.959 20 5 FFBDRO CC[N@@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C1 ZINC001350441697 1055776285 /nfs/dbraw/zinc/77/62/85/1055776285.db2.gz UIFQGJLYBURZJF-OAHLLOKOSA-N 1 0 360.458 2.975 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001473295219 1055975216 /nfs/dbraw/zinc/97/52/16/1055975216.db2.gz YAPFNCVYZDGQNT-NWDGAFQWSA-N 1 0 355.341 2.519 20 5 FFBDRO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CCc3c(Cl)cccc3[N+](=O)[O-])[C@@H]2C1 ZINC001339317275 1056323646 /nfs/dbraw/zinc/32/36/46/1056323646.db2.gz MFLUBWLKUGMFDL-NJZAAPMLSA-N 1 0 351.834 2.637 20 5 FFBDRO Cn1ccnc1[C@@H]1CCC[N@H+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC001473432310 1056384315 /nfs/dbraw/zinc/38/43/15/1056384315.db2.gz IZPKNQAPOHPLPU-CYBMUJFWSA-N 1 0 368.397 2.758 20 5 FFBDRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H](c2cnn(C)c2)C1 ZINC000849483057 1056869795 /nfs/dbraw/zinc/86/97/95/1056869795.db2.gz VJAQJTAPKCBPTD-ROUUACIJSA-N 1 0 371.441 2.781 20 5 FFBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC001444945413 1058348503 /nfs/dbraw/zinc/34/85/03/1058348503.db2.gz CTRORHYJMXABCE-UONOGXRCSA-N 1 0 372.425 2.511 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)C1 ZINC001453319505 1059357690 /nfs/dbraw/zinc/35/76/90/1059357690.db2.gz GZOZEGKECFDRLD-MRVPVSSYSA-N 1 0 358.801 2.572 20 5 FFBDRO Cc1cccc(C[N@@H+]2CC[C@H](NC(=O)c3cc([N+](=O)[O-])cc(C)n3)C2)c1 ZINC001454307807 1059494623 /nfs/dbraw/zinc/49/46/23/1059494623.db2.gz CZWVEAGFQDIWFI-INIZCTEOSA-N 1 0 354.410 2.611 20 5 FFBDRO Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)Cc3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC001455007860 1059669547 /nfs/dbraw/zinc/66/95/47/1059669547.db2.gz DQKRHNYIDWQFAP-GOSISDBHSA-N 1 0 353.422 2.836 20 5 FFBDRO O=C1[C@H](c2ccc([N+](=O)[O-])cc2)CCN1C[N@@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000848481636 1060118974 /nfs/dbraw/zinc/11/89/74/1060118974.db2.gz BBVNPTUNUFXBNZ-AOIWGVFYSA-N 1 0 373.453 2.617 20 5 FFBDRO O=C1[C@H](c2ccc([N+](=O)[O-])cc2)CCN1C[N@@H+]1CCC[C@H]1[C@H]1CCCOC1 ZINC000848490365 1060146423 /nfs/dbraw/zinc/14/64/23/1060146423.db2.gz ZZLOHHNZLUQQRG-WDSOQIARSA-N 1 0 373.453 2.759 20 5 FFBDRO CCC[N@@H+]1CC[C@@H](Nc2cc(CC)nc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC001458503188 1060607491 /nfs/dbraw/zinc/60/74/91/1060607491.db2.gz DFMDAZAFZWIJNO-MRXNPFEDSA-N 1 0 355.442 2.932 20 5 FFBDRO CCOC(=O)c1ccnc(N(C)CCCC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC001458555890 1060624091 /nfs/dbraw/zinc/62/40/91/1060624091.db2.gz UHYCSFLVRPCALA-UHFFFAOYSA-N 1 0 364.446 2.869 20 5 FFBDRO CO[C@H](Cc1ccccc1)C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001459312515 1060745881 /nfs/dbraw/zinc/74/58/81/1060745881.db2.gz LCWDAQSCIKDNQN-HXUWFJFHSA-N 1 0 355.438 2.975 20 5 FFBDRO C[C@H](c1ccccc1)[N@H+](CCO)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001459786858 1060818353 /nfs/dbraw/zinc/81/83/53/1060818353.db2.gz ZQTWBOUYGOKRKP-OAHLLOKOSA-N 1 0 357.410 2.979 20 5 FFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCCC[C@H]2N2CCOCC2)c(Cl)c1 ZINC001459961335 1060857641 /nfs/dbraw/zinc/85/76/41/1060857641.db2.gz IMVJVDWVZOFOQT-IAGOWNOFSA-N 1 0 353.850 2.981 20 5 FFBDRO C[C@@H]([NH2+][C@@H]1CCOC12CCOCC2)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001460915659 1061148860 /nfs/dbraw/zinc/14/88/60/1061148860.db2.gz JHLKOUTVHHQBBY-IUODEOHRSA-N 1 0 374.397 2.634 20 5 FFBDRO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CC[NH2+]C12CCCC2 ZINC001521865351 1061180109 /nfs/dbraw/zinc/18/01/09/1061180109.db2.gz YBDBNTBCMNSXGU-OAHLLOKOSA-N 1 0 351.834 2.972 20 5 FFBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CCC3(C[NH2+]C3)CC2)CC1 ZINC001521900623 1061209629 /nfs/dbraw/zinc/20/96/29/1061209629.db2.gz QVBSWKORWCFEDI-UHFFFAOYSA-N 1 0 372.469 2.657 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCc1csc(N(C)C)n1 ZINC001461182248 1061241378 /nfs/dbraw/zinc/24/13/78/1061241378.db2.gz UZCMTEXSTDYDSU-UHFFFAOYSA-N 1 0 350.444 2.848 20 5 FFBDRO CC1CC(CNC(=O)Nc2cc(N3CC[NH+](C)CC3)ccc2[N+](=O)[O-])C1 ZINC001477130375 1061594294 /nfs/dbraw/zinc/59/42/94/1061594294.db2.gz MHJCFMGLVRCDPU-UHFFFAOYSA-N 1 0 361.446 2.514 20 5 FFBDRO COc1c(O)ccc(C[NH2+]C[C@H](O)c2cc(F)c(F)c(F)c2)c1[N+](=O)[O-] ZINC001462462545 1061634028 /nfs/dbraw/zinc/63/40/28/1061634028.db2.gz JYWDMDYXPOUBKZ-ZDUSSCGKSA-N 1 0 372.299 2.550 20 5 FFBDRO COc1c(O)ccc(C[NH2+]C[C@@H](CO)c2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC001462557844 1061670081 /nfs/dbraw/zinc/67/00/81/1061670081.db2.gz ZFIWIQVUENYKMT-ZDUSSCGKSA-N 1 0 366.801 2.828 20 5 FFBDRO C[C@@H](Cn1c(C2CC2)nnc1N(C)CCc1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC001360554457 1061984904 /nfs/dbraw/zinc/98/49/04/1061984904.db2.gz JJZQYWPKZAPYSF-AWEZNQCLSA-N 1 0 372.473 2.693 20 5 FFBDRO CC1(C)CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CC(C)(C)[NH2+]1 ZINC001529320768 1062267399 /nfs/dbraw/zinc/26/73/99/1062267399.db2.gz NOSUCYRDCPCARY-UHFFFAOYSA-N 1 0 371.441 2.773 20 5 FFBDRO CC[NH+](CC)CC[C@@H](C)NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC001522840784 1062305665 /nfs/dbraw/zinc/30/56/65/1062305665.db2.gz UPCSICZDANWXCG-CQSZACIVSA-N 1 0 359.430 2.631 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])s1)N1C[C@H](C[C@@H]2COCC[NH2+]2)c2ccccc21 ZINC001523288238 1062424594 /nfs/dbraw/zinc/42/45/94/1062424594.db2.gz WYTNUFAHQMBKHF-QWHCGFSZSA-N 1 0 373.434 2.779 20 5 FFBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)C1 ZINC001464548259 1062677788 /nfs/dbraw/zinc/67/77/88/1062677788.db2.gz XGNJHEXSMJHPAH-LLVKDONJSA-N 1 0 354.838 2.681 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC[C@H]1CCC[NH2+]CC1 ZINC001524222113 1062763868 /nfs/dbraw/zinc/76/38/68/1062763868.db2.gz IIAXAZDKMRXGKK-OLZOCXBDSA-N 1 0 369.849 2.912 20 5 FFBDRO CC(C)[NH+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2[C@@H]2C[C@@H]2C)CC1 ZINC001493367445 1063143075 /nfs/dbraw/zinc/14/30/75/1063143075.db2.gz PEYORZXQKQSCSF-WMLDXEAASA-N 1 0 370.457 2.965 20 5 FFBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001465900088 1063256686 /nfs/dbraw/zinc/25/66/86/1063256686.db2.gz NFOFCXZTVPPUMS-MEDUHNTESA-N 1 0 354.410 2.543 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@@H+]1CCCC1(C)C ZINC001466376490 1063414980 /nfs/dbraw/zinc/41/49/80/1063414980.db2.gz NFDVBPAAMMAMLT-UHFFFAOYSA-N 1 0 350.419 2.989 20 5 FFBDRO COc1ccc(CNC(=O)c2cccc(CC[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC001441929543 1063482716 /nfs/dbraw/zinc/48/27/16/1063482716.db2.gz LUGGKHWYCNPNRK-UHFFFAOYSA-N 1 0 357.410 2.638 20 5 FFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC001466686086 1063520985 /nfs/dbraw/zinc/52/09/85/1063520985.db2.gz CUHHAHJEKWZHLV-LBPRGKRZSA-N 1 0 370.837 2.525 20 5 FFBDRO C[NH+](C)Cc1ccc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)c(F)c1 ZINC001468970617 1064068051 /nfs/dbraw/zinc/06/80/51/1064068051.db2.gz RCAGUXZNJPOZAU-UHFFFAOYSA-N 1 0 361.329 2.777 20 5 FFBDRO Nc1c(Cl)cc(C(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)cc1[N+](=O)[O-] ZINC001470176732 1064269287 /nfs/dbraw/zinc/26/92/87/1064269287.db2.gz HTPWIOCTIVUMMM-CYBMUJFWSA-N 1 0 366.849 2.967 20 5 FFBDRO CC[NH+](CC)CC[C@@H](NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)c1ccccc1 ZINC001472375593 1065035842 /nfs/dbraw/zinc/03/58/42/1065035842.db2.gz GPEBUHKOZRDGRN-MRXNPFEDSA-N 1 0 372.425 2.898 20 5 FFBDRO CC(C)Oc1cccc(CNC(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)c1 ZINC001575812786 1078169450 /nfs/dbraw/zinc/16/94/50/1078169450.db2.gz CVXGCPUDZWXADF-IBGZPJMESA-N 1 0 357.410 2.872 20 5 FFBDRO C[NH+]1CCN(c2ccc(CCNc3ncc([N+](=O)[O-])cc3F)cc2)CC1 ZINC001472905308 1065172250 /nfs/dbraw/zinc/17/22/50/1065172250.db2.gz QLSTWZMPDLVGFM-UHFFFAOYSA-N 1 0 359.405 2.535 20 5 FFBDRO COc1cc2c(cc1OC)C(C)(C)[N@H+](CCn1c(C)ncc1[N+](=O)[O-])CC2 ZINC001473759130 1065348444 /nfs/dbraw/zinc/34/84/44/1065348444.db2.gz YDFIQIMHXBOKAO-UHFFFAOYSA-N 1 0 374.441 2.910 20 5 FFBDRO O=C(C[NH2+]C1([C@@H]2CCCO2)CCC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC001473888001 1065407580 /nfs/dbraw/zinc/40/75/80/1065407580.db2.gz BXDHSWMAFVTOCT-AWEZNQCLSA-N 1 0 353.806 2.878 20 5 FFBDRO CN(c1ccccc1)c1ccc(C[NH2+][C@@H](CO)[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC001474094107 1065455367 /nfs/dbraw/zinc/45/53/67/1065455367.db2.gz GMNTVZKDPCSEAI-AEFFLSMTSA-N 1 0 371.437 2.850 20 5 FFBDRO C[C@@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)c1ccc(N2CCOC2=O)cc1 ZINC001474537808 1065546585 /nfs/dbraw/zinc/54/65/85/1065546585.db2.gz MMPSGDSNIJAKKQ-XEBKBJJBSA-N 1 0 371.397 2.802 20 5 FFBDRO C[C@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2Br)[C@H]1C[NH3+] ZINC001576705825 1078263180 /nfs/dbraw/zinc/26/31/80/1078263180.db2.gz WHIPGTYDLZLBBO-CABZTGNLSA-N 1 0 356.220 2.557 20 5 FFBDRO CC[C@@]1(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)CC[NH2+]C1 ZINC001577201605 1078316652 /nfs/dbraw/zinc/31/66/52/1078316652.db2.gz MQRDSBLXVCGCDQ-CQSZACIVSA-N 1 0 356.220 2.994 20 5 FFBDRO COc1cc(N[C@@H]2C[NH2+]CC3(CCOCC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC001579166626 1078579332 /nfs/dbraw/zinc/57/93/32/1078579332.db2.gz MZRYBOCDATVRHM-NSHDSACASA-N 1 0 355.822 2.827 20 5 FFBDRO COc1ccc([C@H]2C[NH2+]CCN2C(=O)c2ccc([N+](=O)[O-])cc2C)cc1 ZINC001579202573 1078587805 /nfs/dbraw/zinc/58/78/05/1078587805.db2.gz DBUOFZAXKOFDIH-GOSISDBHSA-N 1 0 355.394 2.699 20 5 FFBDRO COc1cccc(C[C@H]([NH3+])C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC001579273151 1078606884 /nfs/dbraw/zinc/60/68/84/1078606884.db2.gz ONNHTBQHSRLVJB-GUYCJALGSA-N 1 0 357.410 2.659 20 5 FFBDRO [NH3+]Cc1ccccc1NC(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 ZINC001580347201 1078789511 /nfs/dbraw/zinc/78/95/11/1078789511.db2.gz PPZQKAWCMARJFP-UHFFFAOYSA-N 1 0 351.366 2.551 20 5 FFBDRO Nc1cc[nH+]c(CNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)c1 ZINC001580462732 1078810613 /nfs/dbraw/zinc/81/06/13/1078810613.db2.gz OQLWGHXRWHBOQE-UHFFFAOYSA-N 1 0 355.379 2.626 20 5 FFBDRO O=C(c1ccccc1)c1ccc(N2C[C@H]3CC[NH2+]C[C@H]3C2)c([N+](=O)[O-])c1 ZINC001580825519 1078874639 /nfs/dbraw/zinc/87/46/39/1078874639.db2.gz VVWWUNZIMUXSQM-SJORKVTESA-N 1 0 351.406 2.872 20 5 FFBDRO O=[N+]([O-])c1cccc(CN2CCC[C@@H]3C[NH2+]CC[C@@H]32)c1Br ZINC001580875572 1078882164 /nfs/dbraw/zinc/88/21/64/1078882164.db2.gz NIDITGFIDFMTMF-YPMHNXCESA-N 1 0 354.248 2.931 20 5 FFBDRO CN(C(=O)CCc1cc(F)ccc1[N+](=O)[O-])C(C)(C)C[NH+]1CCCC1 ZINC001584286619 1079333247 /nfs/dbraw/zinc/33/32/47/1079333247.db2.gz NEDMGBRJIRAKTO-UHFFFAOYSA-N 1 0 351.422 2.999 20 5 FFBDRO CCOc1cc(NC(=O)N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)ccc1[N+](=O)[O-] ZINC001563011512 1075096340 /nfs/dbraw/zinc/09/63/40/1075096340.db2.gz FRIVKVUUNWZTAX-HIFRSBDPSA-N 1 0 368.459 2.503 20 5 FFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC001556098828 1075700371 /nfs/dbraw/zinc/70/03/71/1075700371.db2.gz ZLXFLOFEBDPKCL-KDOFPFPSSA-N 1 0 371.412 2.913 20 5 FFBDRO Nc1c(Cl)cc(C(=O)NCCCCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC001556748705 1075771691 /nfs/dbraw/zinc/77/16/91/1075771691.db2.gz GBUKVCHEEWFFPU-UHFFFAOYSA-N 1 0 354.838 2.826 20 5 FFBDRO C[NH+](C)CC[C@@H]1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC001558293089 1075973981 /nfs/dbraw/zinc/97/39/81/1075973981.db2.gz MIEVHISUXIZVPB-LLVKDONJSA-N 1 0 370.247 2.771 20 5 FFBDRO C[C@@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC001585777750 1079500234 /nfs/dbraw/zinc/50/02/34/1079500234.db2.gz YDZMRRDJJTYACN-DOTOQJQBSA-N 1 0 362.474 2.976 20 5 FFBDRO CS[C@@H]1CN(c2c3cc(F)ccc3ncc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC001559157545 1076130736 /nfs/dbraw/zinc/13/07/36/1076130736.db2.gz OFZCERGIZDBRNX-LSDHHAIUSA-N 1 0 350.419 2.764 20 5 FFBDRO C[N@H+](CCc1ccccc1)[C@H]1CCN(c2cc(F)c([N+](=O)[O-])cc2CO)C1 ZINC001559230808 1076137151 /nfs/dbraw/zinc/13/71/51/1076137151.db2.gz PLQQEZXFSQUYFK-KRWDZBQOSA-N 1 0 373.428 2.979 20 5 FFBDRO CS[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2Br)C[C@@H]1[NH+](C)C ZINC001559719299 1076185671 /nfs/dbraw/zinc/18/56/71/1076185671.db2.gz BAHKTAARCHZBIR-UONOGXRCSA-N 1 0 374.304 2.835 20 5 FFBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC(C)([NH+]2CCCC2)CC1 ZINC001560048358 1076217014 /nfs/dbraw/zinc/21/70/14/1076217014.db2.gz MVZFADDKOPVVSF-HNNXBMFYSA-N 1 0 360.458 2.872 20 5 FFBDRO COC(=O)C[C@@H]([NH2+]CCOc1ccc(OC)cc1[N+](=O)[O-])C(C)(C)C ZINC001560172865 1076241492 /nfs/dbraw/zinc/24/14/92/1076241492.db2.gz JZIOGCJGWXSBBW-OAHLLOKOSA-N 1 0 354.403 2.550 20 5 FFBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)C[C@H]1CCN1C(=O)OC(C)(C)C ZINC001560177267 1076241850 /nfs/dbraw/zinc/24/18/50/1076241850.db2.gz QUSBMDPJCYTMCH-OAHLLOKOSA-N 1 0 365.430 2.915 20 5 FFBDRO CCN(CCC[NH+](CC)CC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C ZINC001561471577 1076380936 /nfs/dbraw/zinc/38/09/36/1076380936.db2.gz FHDVKRRWZIRJJM-UHFFFAOYSA-N 1 0 371.503 2.954 20 5 FFBDRO CC(C)[C@H]1CN(C(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)CC[N@@H+]1C ZINC001587551364 1079812606 /nfs/dbraw/zinc/81/26/06/1079812606.db2.gz ISOIUZJDGFGZIG-MRXNPFEDSA-N 1 0 356.426 2.742 20 5 FFBDRO CCC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC001589277047 1080460176 /nfs/dbraw/zinc/46/01/76/1080460176.db2.gz PTWIIPGFABPDRF-ZDUSSCGKSA-N 1 0 370.247 2.848 20 5 FFBDRO C[C@H]1CCCC[N@@H+]1CCCNc1cc(-c2nn[nH]n2)sc1[N+](=O)[O-] ZINC001590259547 1081129127 /nfs/dbraw/zinc/12/91/27/1081129127.db2.gz KSIFCPGQJDHDES-JTQLQIEISA-N 1 0 351.436 2.513 20 5 FFBDRO CC(C)C[NH+]1CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 ZINC000043008643 210047108 /nfs/dbraw/zinc/04/71/08/210047108.db2.gz RICIHSARCBBAMX-UHFFFAOYSA-N 1 0 360.458 2.609 20 5 FFBDRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000093146926 250020262 /nfs/dbraw/zinc/02/02/62/250020262.db2.gz AMTNCQZPQKAXQW-ZLQZBKBYSA-N 1 0 358.486 2.710 20 5 FFBDRO COc1cc(CN2CC[C@@H](C[NH+]3CCCCC3)C2)c([N+](=O)[O-])cc1OC ZINC000093683596 250043104 /nfs/dbraw/zinc/04/31/04/250043104.db2.gz DYSXVUYPIGKNKW-HNNXBMFYSA-N 1 0 363.458 2.920 20 5 FFBDRO Cc1cc(N2CCC[C@@H](S(C)(=O)=O)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000409674348 512121468 /nfs/dbraw/zinc/12/14/68/512121468.db2.gz BRTKAUDAPKMOHZ-CQSZACIVSA-N 1 0 363.439 2.855 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCc2ccccc2[C@@H]1CO ZINC000268073647 251366526 /nfs/dbraw/zinc/36/65/26/251366526.db2.gz DHMYIJOAHGRUAX-IBGZPJMESA-N 1 0 369.421 2.824 20 5 FFBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCS(=O)(=O)c1ccccc1)C1CC1 ZINC000268823923 251394653 /nfs/dbraw/zinc/39/46/53/251394653.db2.gz SQKVZLDCYDDCTM-SFHVURJKSA-N 1 0 374.462 2.979 20 5 FFBDRO C[C@H]([NH2+]C1(CNC(=O)c2nn(C)cc2[N+](=O)[O-])CCCC1)c1ccccc1 ZINC000271404313 251784139 /nfs/dbraw/zinc/78/41/39/251784139.db2.gz NIZPAPPJJIUETI-AWEZNQCLSA-N 1 0 371.441 2.722 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000272443179 252039219 /nfs/dbraw/zinc/03/92/19/252039219.db2.gz FBFFLLULWLRFDN-AWEZNQCLSA-N 1 0 369.487 2.562 20 5 FFBDRO CCCCC[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)CC(N)=O ZINC000272570902 252070578 /nfs/dbraw/zinc/07/05/78/252070578.db2.gz NAAVSWMIHXPXIC-UHFFFAOYSA-N 1 0 360.414 2.770 20 5 FFBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)CCOc3ccc(Cl)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000272671398 252098438 /nfs/dbraw/zinc/09/84/38/252098438.db2.gz TXMRMUWAYZAQBB-IUODEOHRSA-N 1 0 367.833 2.570 20 5 FFBDRO C[C@@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])C1=CC[N@H+](C)CC1 ZINC000272752248 252121252 /nfs/dbraw/zinc/12/12/52/252121252.db2.gz FBSYNZPCNGNNRZ-SNVBAGLBSA-N 1 0 368.231 2.738 20 5 FFBDRO COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)c2ccc([N+](=O)[O-])o2)cc1 ZINC000272605287 252078334 /nfs/dbraw/zinc/07/83/34/252078334.db2.gz HRSYZEKSWSWIKX-OAHLLOKOSA-N 1 0 359.382 2.763 20 5 FFBDRO Cc1c(C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000273033239 252197326 /nfs/dbraw/zinc/19/73/26/252197326.db2.gz VFMSUUKAYJLZJI-GFCCVEGCSA-N 1 0 362.386 2.500 20 5 FFBDRO C[C@H]([NH2+][C@@H]1CCCN(Cc2ccccn2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000273178063 252241727 /nfs/dbraw/zinc/24/17/27/252241727.db2.gz DLWNUCZZWYQAFG-KBXCAEBGSA-N 1 0 354.410 2.832 20 5 FFBDRO COc1ccc(NC(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000273470415 252312592 /nfs/dbraw/zinc/31/25/92/252312592.db2.gz JCFJAJDONHEVGC-GFCCVEGCSA-N 1 0 350.419 2.797 20 5 FFBDRO Cc1ccc(F)cc1C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000273511906 252321508 /nfs/dbraw/zinc/32/15/08/252321508.db2.gz QZIIYORWUFATND-UHFFFAOYSA-N 1 0 352.387 2.606 20 5 FFBDRO C[NH+](C)CCc1ccc(CNC(=O)NCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000276011737 256065725 /nfs/dbraw/zinc/06/57/25/256065725.db2.gz AVKPENUIKQNLIA-UHFFFAOYSA-N 1 0 356.426 2.698 20 5 FFBDRO CC(C)[N@@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000276294459 256087820 /nfs/dbraw/zinc/08/78/20/256087820.db2.gz MHJQGPSNJNRFSZ-CYBMUJFWSA-N 1 0 355.460 2.531 20 5 FFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C1CCN(c2cccnn2)CC1 ZINC000277015270 256152111 /nfs/dbraw/zinc/15/21/11/256152111.db2.gz CJZQAGWAWZRFNS-OAHLLOKOSA-N 1 0 355.442 2.965 20 5 FFBDRO C[NH+](C)[C@@H]1CCCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000277258751 256177049 /nfs/dbraw/zinc/17/70/49/256177049.db2.gz LDMNTIKGWAZLIB-CYBMUJFWSA-N 1 0 351.422 2.954 20 5 FFBDRO CCOc1cc(C[NH+]2CCC3(CC2)[C@H](O)C[C@@H]3OCC)ccc1[N+](=O)[O-] ZINC000276920500 256142615 /nfs/dbraw/zinc/14/26/15/256142615.db2.gz OYGMRWPQMICBMR-MSOLQXFVSA-N 1 0 364.442 2.745 20 5 FFBDRO Cc1c(NC(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000277517011 256206370 /nfs/dbraw/zinc/20/63/70/256206370.db2.gz OZGHORLHGTUGQZ-ZDUSSCGKSA-N 1 0 350.419 2.526 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000278024595 256268184 /nfs/dbraw/zinc/26/81/84/256268184.db2.gz QIOVHQUZPHPBDK-UHFFFAOYSA-N 1 0 353.422 2.732 20 5 FFBDRO COCOc1ccc(OC)cc1CNCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278714662 256340543 /nfs/dbraw/zinc/34/05/43/256340543.db2.gz PAABGCLLOFTXOI-UHFFFAOYSA-N 1 0 372.381 2.752 20 5 FFBDRO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000279174344 256389859 /nfs/dbraw/zinc/38/98/59/256389859.db2.gz CZVDSAVEGZSMRS-CQSZACIVSA-N 1 0 357.332 2.857 20 5 FFBDRO Cc1ccc(NC(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000278807133 256350338 /nfs/dbraw/zinc/35/03/38/256350338.db2.gz RYJAZQTZEUGOPI-CQSZACIVSA-N 1 0 362.430 2.620 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000278824614 256352252 /nfs/dbraw/zinc/35/22/52/256352252.db2.gz IYRNHUQHDGZBQZ-CQSZACIVSA-N 1 0 362.430 2.620 20 5 FFBDRO CS(=O)(=O)C1(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CCC1 ZINC000279767328 256448990 /nfs/dbraw/zinc/44/89/90/256448990.db2.gz JWXBAEMNUVLJDU-ZBFHGGJFSA-N 1 0 366.483 2.863 20 5 FFBDRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)c2ccc([N+](=O)[O-])c(OC)c2)cc1 ZINC000285865969 257008559 /nfs/dbraw/zinc/00/85/59/257008559.db2.gz BFWJXYXMUMRTGW-MRXNPFEDSA-N 1 0 373.409 2.645 20 5 FFBDRO CC(=O)c1cc(N2CCC(N3CC[NH+](C(C)C)CC3)CC2)ccc1[N+](=O)[O-] ZINC000286057385 257018144 /nfs/dbraw/zinc/01/81/44/257018144.db2.gz AFEMPSBPFPEKQC-UHFFFAOYSA-N 1 0 374.485 2.792 20 5 FFBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000286205962 257025523 /nfs/dbraw/zinc/02/55/23/257025523.db2.gz MONYBKIXUIXLMF-UHFFFAOYSA-N 1 0 374.485 2.792 20 5 FFBDRO C[C@H]([NH2+][C@@H]1CCC[C@H]1CCO)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000286261626 257028092 /nfs/dbraw/zinc/02/80/92/257028092.db2.gz STFUFWYPCMGJMP-COPLHBTASA-N 1 0 355.822 2.716 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000289346541 257275706 /nfs/dbraw/zinc/27/57/06/257275706.db2.gz MNSBGCTWCYPPMI-IAGOWNOFSA-N 1 0 357.410 2.609 20 5 FFBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000289943600 257307800 /nfs/dbraw/zinc/30/78/00/257307800.db2.gz PSNLKGRIIAETDU-XHDPSFHLSA-N 1 0 363.805 2.719 20 5 FFBDRO COc1ccc(C[C@@H](CO)C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)cc1O ZINC000289547089 257286677 /nfs/dbraw/zinc/28/66/77/257286677.db2.gz XHLNBCFHGLLYPM-MRXNPFEDSA-N 1 0 360.410 2.558 20 5 FFBDRO Cc1ccc([C@H](C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)N2CCOCC2)o1 ZINC000293609399 257554075 /nfs/dbraw/zinc/55/40/75/257554075.db2.gz GNGJDHXFQCMVHT-KDOFPFPSSA-N 1 0 374.441 2.803 20 5 FFBDRO Cc1c(CO)cc([N+](=O)[O-])c(NC2CC[NH+](C(C)C)CC2)c1[N+](=O)[O-] ZINC000301085435 258023812 /nfs/dbraw/zinc/02/38/12/258023812.db2.gz KZQWBNHYEJWVDZ-UHFFFAOYSA-N 1 0 352.391 2.588 20 5 FFBDRO CNC(=O)c1ccc(N2CC[NH+](C3CCC(C)CC3)CC2)c([N+](=O)[O-])c1 ZINC000301284617 258039505 /nfs/dbraw/zinc/03/95/05/258039505.db2.gz LIEYWAWRYLYUTB-UHFFFAOYSA-N 1 0 360.458 2.655 20 5 FFBDRO CCCC[NH+]1CCC(NC(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000299660503 258014749 /nfs/dbraw/zinc/01/47/49/258014749.db2.gz RJDQOTRCJCHVHV-UHFFFAOYSA-N 1 0 364.446 2.667 20 5 FFBDRO CC[NH+]1CCN([C@@H](C)CNc2cc(C)nc3c2cccc3[N+](=O)[O-])CC1 ZINC000302047123 258084340 /nfs/dbraw/zinc/08/43/40/258084340.db2.gz YRGVETCRLCELEX-HNNXBMFYSA-N 1 0 357.458 2.889 20 5 FFBDRO C[C@@H]1CCC[C@@](CNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)([NH+](C)C)C1 ZINC000302632113 258107135 /nfs/dbraw/zinc/10/71/35/258107135.db2.gz JLKSGGMQSTYZBH-CXAGYDPISA-N 1 0 369.487 2.921 20 5 FFBDRO CCc1nn(C)c(NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c1[N+](=O)[O-] ZINC000302685296 258108162 /nfs/dbraw/zinc/10/81/62/258108162.db2.gz AACLLPRRBGJMNP-INIZCTEOSA-N 1 0 373.457 2.594 20 5 FFBDRO COC(=O)c1cnc(NC[C@]2([NH+](C)C)CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000302765559 258109838 /nfs/dbraw/zinc/10/98/38/258109838.db2.gz LLMFUDKKLRIQCV-SJCJKPOMSA-N 1 0 350.419 2.699 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)c2ncc([N+](=O)[O-])cc2Br)[C@H](C)C1 ZINC000301578373 258056604 /nfs/dbraw/zinc/05/66/04/258056604.db2.gz ZLROTUNCPGZIMM-MFKMUULPSA-N 1 0 357.252 2.919 20 5 FFBDRO Cc1ccc(NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)c([N+](=O)[O-])c1 ZINC000301573768 258056729 /nfs/dbraw/zinc/05/67/29/258056729.db2.gz YZPXIXOHOSEKJM-UHFFFAOYSA-N 1 0 362.474 2.942 20 5 FFBDRO C[NH+](C)[C@H](CNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2)c1ccc(F)cc1 ZINC000301614189 258058460 /nfs/dbraw/zinc/05/84/60/258058460.db2.gz HWCPBWZLXDJAER-MRXNPFEDSA-N 1 0 374.372 2.780 20 5 FFBDRO Cc1nc(NCc2ccc(CN3CC[NH+](C)CC3)cc2)ccc1[N+](=O)[O-] ZINC000301634225 258059865 /nfs/dbraw/zinc/05/98/65/258059865.db2.gz KDYQDMCBBQUYDI-UHFFFAOYSA-N 1 0 355.442 2.658 20 5 FFBDRO Cc1cc(N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)ncc1[N+](=O)[O-] ZINC000301719976 258064848 /nfs/dbraw/zinc/06/48/48/258064848.db2.gz MDEMIHVKTZXYHK-IAGOWNOFSA-N 1 0 356.426 2.593 20 5 FFBDRO CC(C)C[N@@H+]1CCCC[C@H]1CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000301813815 258069348 /nfs/dbraw/zinc/06/93/48/258069348.db2.gz ZFGXHTMMWZZMMT-AWEZNQCLSA-N 1 0 369.487 2.921 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000301826054 258069442 /nfs/dbraw/zinc/06/94/42/258069442.db2.gz OUROXKIQARQIPY-AWEZNQCLSA-N 1 0 354.838 2.724 20 5 FFBDRO CC[N@@H+]1C[C@H](C)N(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000330554590 258165431 /nfs/dbraw/zinc/16/54/31/258165431.db2.gz GIDZHFJTJWHNGW-NEPJUHHUSA-N 1 0 354.838 2.601 20 5 FFBDRO CS[C@H]1CN(C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)C[C@H]1[NH+](C)C ZINC000331079778 258176928 /nfs/dbraw/zinc/17/69/28/258176928.db2.gz YKMPXSKXLUWNON-CABCVRRESA-N 1 0 352.460 2.721 20 5 FFBDRO CS[C@@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C[C@H]1[NH+](C)C ZINC000331473376 258187749 /nfs/dbraw/zinc/18/77/49/258187749.db2.gz KVIYIUIWOLMNNJ-IUODEOHRSA-N 1 0 365.480 2.927 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000332342655 258226046 /nfs/dbraw/zinc/22/60/46/258226046.db2.gz WIQUTGOTSOLXRF-PBHICJAKSA-N 1 0 362.430 2.572 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000332391723 258228594 /nfs/dbraw/zinc/22/85/94/258228594.db2.gz MGMOHSNXWNBPDM-SJLPKXTDSA-N 1 0 361.442 2.570 20 5 FFBDRO CC(C)[C@H]1CN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC[N@@H+]1C ZINC000332394192 258228604 /nfs/dbraw/zinc/22/86/04/258228604.db2.gz NRSOPCFHQHFMMJ-LJQANCHMSA-N 1 0 374.485 2.610 20 5 FFBDRO Cc1c(NC(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)cccc1[N+](=O)[O-] ZINC000332546532 258234854 /nfs/dbraw/zinc/23/48/54/258234854.db2.gz NEYOEKKNERZBGY-PBHICJAKSA-N 1 0 362.430 2.653 20 5 FFBDRO Cc1cc(NC(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)ccc1[N+](=O)[O-] ZINC000332565598 258235564 /nfs/dbraw/zinc/23/55/64/258235564.db2.gz XAYPMCFMPURAND-RDJZCZTQSA-N 1 0 362.430 2.653 20 5 FFBDRO O=C(NCCC[NH+]1CCCCC1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000011713346 132851020 /nfs/dbraw/zinc/85/10/20/132851020.db2.gz WPNNPYLGWUYFNK-UHFFFAOYSA-N 1 0 374.485 2.803 20 5 FFBDRO COc1cc(C[NH2+][C@@H]2CCO[C@H]2C2CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000368904107 512129501 /nfs/dbraw/zinc/12/95/01/512129501.db2.gz ILGJDFPMFICSKK-PXAZEXFGSA-N 1 0 372.368 2.904 20 5 FFBDRO C[NH+](C)CCOc1ccc(NC(=O)CNc2ccccc2[N+](=O)[O-])cc1 ZINC000065872550 506383830 /nfs/dbraw/zinc/38/38/30/506383830.db2.gz CCBNZWHKNPHCJP-UHFFFAOYSA-N 1 0 358.398 2.586 20 5 FFBDRO CC[NH+]1CCC(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000161915544 509163792 /nfs/dbraw/zinc/16/37/92/509163792.db2.gz KYSKKVZTTAWIBN-UHFFFAOYSA-N 1 0 356.220 2.571 20 5 FFBDRO CC[C@H](CNC(=O)c1cc([N+](=O)[O-])cn1C)[N@@H+]1CCc2ccccc2C1 ZINC000032447134 506254972 /nfs/dbraw/zinc/25/49/72/506254972.db2.gz XWYHYVSADLQNFU-MRXNPFEDSA-N 1 0 356.426 2.500 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000065302331 506284498 /nfs/dbraw/zinc/28/44/98/506284498.db2.gz CYVPPUKSAMLXOP-ZDUSSCGKSA-N 1 0 350.419 2.845 20 5 FFBDRO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000053515220 506395923 /nfs/dbraw/zinc/39/59/23/506395923.db2.gz XOFSENCWEFDEOW-AWEZNQCLSA-N 1 0 371.441 2.600 20 5 FFBDRO CCCCNC(=O)[C@H]1CC[C@H](C)[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000066474331 506530519 /nfs/dbraw/zinc/53/05/19/506530519.db2.gz SKXQGIPMWDDVTL-HOTGVXAUSA-N 1 0 363.458 2.990 20 5 FFBDRO CC(=O)Nc1cccc2c1CC[N@H+](CCOc1cccc([N+](=O)[O-])c1)C2 ZINC000054393056 506551650 /nfs/dbraw/zinc/55/16/50/506551650.db2.gz GZPBQHAHYPZMRP-UHFFFAOYSA-N 1 0 355.394 2.990 20 5 FFBDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000066628243 506585170 /nfs/dbraw/zinc/58/51/70/506585170.db2.gz GDBFPSZFFANMGG-CYBMUJFWSA-N 1 0 365.430 2.606 20 5 FFBDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000066725626 506623146 /nfs/dbraw/zinc/62/31/46/506623146.db2.gz LEXHCTJZHFWJPZ-UHFFFAOYSA-N 1 0 373.457 2.600 20 5 FFBDRO Cc1occc1C(=O)NC1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000066890283 506682099 /nfs/dbraw/zinc/68/20/99/506682099.db2.gz XUKNLSYPSPOKFG-UHFFFAOYSA-N 1 0 373.409 2.769 20 5 FFBDRO CC(C)(C)CC[NH+]1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000055933497 506891683 /nfs/dbraw/zinc/89/16/83/506891683.db2.gz COXHTRFDSFUFOY-UHFFFAOYSA-N 1 0 374.485 2.538 20 5 FFBDRO CNC(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000056196324 506960099 /nfs/dbraw/zinc/96/00/99/506960099.db2.gz CLYWQBLBRKUQOG-OLZOCXBDSA-N 1 0 370.409 2.632 20 5 FFBDRO C[NH+](C)[C@H](CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)Cc1ccccc1 ZINC000056203383 506961139 /nfs/dbraw/zinc/96/11/39/506961139.db2.gz HNXABIZJUMAAHA-INIZCTEOSA-N 1 0 366.421 2.979 20 5 FFBDRO COc1cccc([C@@H](CNC(=O)NCc2cccc([N+](=O)[O-])c2)[NH+](C)C)c1 ZINC000067725846 506991137 /nfs/dbraw/zinc/99/11/37/506991137.db2.gz QHUAABFGLFTEPD-GOSISDBHSA-N 1 0 372.425 2.706 20 5 FFBDRO O=C(Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)c1cc([N+](=O)[O-])c[nH]1 ZINC000056479239 507025998 /nfs/dbraw/zinc/02/59/98/507025998.db2.gz MPPLYQWHPRFYME-UHFFFAOYSA-N 1 0 369.425 2.707 20 5 FFBDRO COc1ccc(CC(=O)NC[C@H](c2ccsc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000067905853 507046290 /nfs/dbraw/zinc/04/62/90/507046290.db2.gz XFVDKSRAVKVIKF-OAHLLOKOSA-N 1 0 363.439 2.627 20 5 FFBDRO COc1ccc(CC(=O)NCc2ccccc2C[NH+](C)C)cc1[N+](=O)[O-] ZINC000067901226 507047204 /nfs/dbraw/zinc/04/72/04/507047204.db2.gz UYQIWRRAKSDYFP-UHFFFAOYSA-N 1 0 357.410 2.524 20 5 FFBDRO COc1ccc(CC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000068132050 507122468 /nfs/dbraw/zinc/12/24/68/507122468.db2.gz XZAJIHPHAQSHOY-INIZCTEOSA-N 1 0 361.442 2.623 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N(C)C3CC[NH+](C)CC3)cc2[N+](=O)[O-])C1 ZINC000068192783 507144173 /nfs/dbraw/zinc/14/41/73/507144173.db2.gz SJVZZHBXUOGATB-OAHLLOKOSA-N 1 0 374.485 2.997 20 5 FFBDRO C[C@H](CNC(=O)CNc1ccccc1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000068201852 507147558 /nfs/dbraw/zinc/14/75/58/507147558.db2.gz QYYKLQPSOQHJDJ-OAHLLOKOSA-N 1 0 368.437 2.570 20 5 FFBDRO Cc1ccc(C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)cc1[N+](=O)[O-] ZINC000057054109 507162054 /nfs/dbraw/zinc/16/20/54/507162054.db2.gz XWAZKEKJMNDIET-UHFFFAOYSA-N 1 0 368.437 2.903 20 5 FFBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000068386564 507212625 /nfs/dbraw/zinc/21/26/25/507212625.db2.gz IOBKQKDMVPZSOY-AWEZNQCLSA-N 1 0 373.457 2.735 20 5 FFBDRO O=C(CC[NH+]1CCC([C@H]2CCOC2)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000373427513 512326028 /nfs/dbraw/zinc/32/60/28/512326028.db2.gz TXGFINTYXWKIGZ-AWEZNQCLSA-N 1 0 365.405 2.811 20 5 FFBDRO CCCC[NH+]1CCC(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000068442258 507234795 /nfs/dbraw/zinc/23/47/95/507234795.db2.gz IZNGIQGSTOGWPY-UHFFFAOYSA-N 1 0 358.442 2.930 20 5 FFBDRO C[NH+](C)[C@@H](CNC(=O)COc1ccccc1[N+](=O)[O-])c1cccc(F)c1 ZINC000057616043 507294094 /nfs/dbraw/zinc/29/40/94/507294094.db2.gz YEXAZKMEFGSCGX-INIZCTEOSA-N 1 0 361.373 2.532 20 5 FFBDRO CC(C)(C)c1ccc(C(=O)NCCCC[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000048284775 507494744 /nfs/dbraw/zinc/49/47/44/507494744.db2.gz ZQSBEELFIBOXPJ-UHFFFAOYSA-N 1 0 363.458 2.735 20 5 FFBDRO COc1ccc(C(=O)N2CC[NH+](CC3CCCCC3)CC2)cc1[N+](=O)[O-] ZINC000050009005 507650797 /nfs/dbraw/zinc/65/07/97/507650797.db2.gz LVHVKAKNBSCYGC-UHFFFAOYSA-N 1 0 361.442 2.942 20 5 FFBDRO Cc1cc(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)ccc1[N+](=O)[O-] ZINC000070928559 507664290 /nfs/dbraw/zinc/66/42/90/507664290.db2.gz VFEHQXFGDLCAPR-UHFFFAOYSA-N 1 0 354.410 2.945 20 5 FFBDRO O=[N+]([O-])c1cc(Br)cnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000062984531 507689164 /nfs/dbraw/zinc/68/91/64/507689164.db2.gz VMTATPMSQCSXSX-GFCCVEGCSA-N 1 0 355.236 2.817 20 5 FFBDRO CC[N@@H+]1CCC[C@H](NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000051377125 507765681 /nfs/dbraw/zinc/76/56/81/507765681.db2.gz WACJXTCMORAECF-ZDUSSCGKSA-N 1 0 360.439 2.932 20 5 FFBDRO O=C(C1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1)N1CCCCC1 ZINC000051560695 507775569 /nfs/dbraw/zinc/77/55/69/507775569.db2.gz FSCQNAPSLMKPQX-UHFFFAOYSA-N 1 0 361.442 2.698 20 5 FFBDRO CC[NH+]1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])c[nH]3)c(C)c2)CC1 ZINC000051867448 507788805 /nfs/dbraw/zinc/78/88/05/507788805.db2.gz QGSVPAYSUDGEIU-UHFFFAOYSA-N 1 0 357.414 2.626 20 5 FFBDRO CC(C)[NH+](CCNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)C(C)C ZINC000031207711 507818150 /nfs/dbraw/zinc/81/81/50/507818150.db2.gz NLZBJOPANUWSLI-UHFFFAOYSA-N 1 0 359.430 2.629 20 5 FFBDRO O=C(C[N@H+](C[C@H]1CCCO1)C1CCCC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000072716166 507845491 /nfs/dbraw/zinc/84/54/91/507845491.db2.gz ICAVUGSGQBFACZ-GOSISDBHSA-N 1 0 373.453 2.908 20 5 FFBDRO C[C@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000089580802 507847069 /nfs/dbraw/zinc/84/70/69/507847069.db2.gz HWRNOWAEFQFYFW-JXFKEZNVSA-N 1 0 370.453 2.869 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000072719696 507847349 /nfs/dbraw/zinc/84/73/49/507847349.db2.gz XWGYHFVVEGHSRJ-MRXNPFEDSA-N 1 0 360.458 2.650 20 5 FFBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000072758953 507849691 /nfs/dbraw/zinc/84/96/91/507849691.db2.gz ROSABGVFFJKBRH-MAUKXSAKSA-N 1 0 360.458 2.506 20 5 FFBDRO COc1cc(NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000089644759 507853146 /nfs/dbraw/zinc/85/31/46/507853146.db2.gz XBUAPUCIIBYBSQ-SJORKVTESA-N 1 0 357.410 2.651 20 5 FFBDRO COc1cc(NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000089644761 507853620 /nfs/dbraw/zinc/85/36/20/507853620.db2.gz XBUAPUCIIBYBSQ-DLBZAZTESA-N 1 0 357.410 2.651 20 5 FFBDRO CC[N@H+](C)C[C@H]1CCN([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000072859192 507865913 /nfs/dbraw/zinc/86/59/13/507865913.db2.gz KQDCVRBBWVQABV-UONOGXRCSA-N 1 0 359.430 2.979 20 5 FFBDRO Cc1cnc(N(C)C2CC[NH+](CCc3ccccn3)CC2)c([N+](=O)[O-])c1 ZINC000078656583 507894345 /nfs/dbraw/zinc/89/43/45/507894345.db2.gz WMNVROLWDZNVID-UHFFFAOYSA-N 1 0 355.442 2.837 20 5 FFBDRO Cn1ccnc1C[C@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000090003544 507899620 /nfs/dbraw/zinc/89/96/20/507899620.db2.gz MCQFXCCAJKFLAQ-CYBMUJFWSA-N 1 0 355.398 2.924 20 5 FFBDRO CCC[C@H]([NH2+][C@H]1CCN(c2cc(C)nn2C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000090121638 507909922 /nfs/dbraw/zinc/90/99/22/507909922.db2.gz WFTJEOFSUDQTFJ-IRXDYDNUSA-N 1 0 371.441 2.873 20 5 FFBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC(COc2ccccc2)CC1 ZINC000090519201 507924669 /nfs/dbraw/zinc/92/46/69/507924669.db2.gz GKNLRMFGHYBSDJ-UHFFFAOYSA-N 1 0 357.410 2.548 20 5 FFBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1cccc(C(F)(F)F)c1 ZINC000090517914 507924704 /nfs/dbraw/zinc/92/47/04/507924704.db2.gz IVZDGFOXXJHWJI-UHFFFAOYSA-N 1 0 355.316 2.907 20 5 FFBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC(c2c[nH]c3ncccc23)CC1 ZINC000090554342 507927501 /nfs/dbraw/zinc/92/75/01/507927501.db2.gz DPFXBZYLUHOUBY-UHFFFAOYSA-N 1 0 367.409 2.512 20 5 FFBDRO CCCc1n[nH]c(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)c1[N+](=O)[O-] ZINC000109428852 507962115 /nfs/dbraw/zinc/96/21/15/507962115.db2.gz FXRNRNLZDKWSMC-UHFFFAOYSA-N 1 0 371.441 2.796 20 5 FFBDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000079576811 507977695 /nfs/dbraw/zinc/97/76/95/507977695.db2.gz GDOBPJMYXDZAPA-MRXNPFEDSA-N 1 0 362.474 2.802 20 5 FFBDRO C[C@@H](CNC(=O)c1cc2ccccc2c2cccnc12)N1CC[NH+](C)CC1 ZINC000074140294 507991965 /nfs/dbraw/zinc/99/19/65/507991965.db2.gz DGCJEZNGPBXKFT-INIZCTEOSA-N 1 0 362.477 2.754 20 5 FFBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000074322179 508012566 /nfs/dbraw/zinc/01/25/66/508012566.db2.gz DDHDKFTYXOMHPS-HNNXBMFYSA-N 1 0 363.483 2.877 20 5 FFBDRO O=C1NCCN1[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000092188699 508049136 /nfs/dbraw/zinc/04/91/36/508049136.db2.gz OSGKDJDYUMMCKY-CQSZACIVSA-N 1 0 370.409 2.844 20 5 FFBDRO NC(=O)C[C@H]1CCCC[N@@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000092588327 508085209 /nfs/dbraw/zinc/08/52/09/508085209.db2.gz ACAHRSCUYBNXSL-CQSZACIVSA-N 1 0 360.439 2.948 20 5 FFBDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000075324337 508098053 /nfs/dbraw/zinc/09/80/53/508098053.db2.gz VXYIITUCNZRHMX-MRXNPFEDSA-N 1 0 356.426 2.907 20 5 FFBDRO COCC[N@@H+]1CCCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000080948442 508116538 /nfs/dbraw/zinc/11/65/38/508116538.db2.gz XVTPMWMCPUWEDZ-UHFFFAOYSA-N 1 0 358.236 2.516 20 5 FFBDRO C[C@H]1CC(C)(C)C[C@@](CO)([NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000080899236 508109579 /nfs/dbraw/zinc/10/95/79/508109579.db2.gz NXPZMEZJZKMWOB-LIRRHRJNSA-N 1 0 363.458 2.725 20 5 FFBDRO CCc1ccc([C@@H]2CCCCC[N@@H+]2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)o1 ZINC000075765727 508133028 /nfs/dbraw/zinc/13/30/28/508133028.db2.gz LPWLQSAWIQDKDK-RDJZCZTQSA-N 1 0 362.430 2.925 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2noc(CN3CC[C@@H](C[NH+]4CCCCC4)C3)n2)c1 ZINC000075836594 508136855 /nfs/dbraw/zinc/13/68/55/508136855.db2.gz FSQQDDBTEZFTKY-HNNXBMFYSA-N 1 0 371.441 2.953 20 5 FFBDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000081121245 508139416 /nfs/dbraw/zinc/13/94/16/508139416.db2.gz GDSLUZUIXGYXHD-IBGZPJMESA-N 1 0 353.422 2.870 20 5 FFBDRO COc1ccccc1C[C@H](C)[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000075896383 508142145 /nfs/dbraw/zinc/14/21/45/508142145.db2.gz KQKPZJQNADDTID-YJBOKZPZSA-N 1 0 374.437 2.906 20 5 FFBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000081362235 508167177 /nfs/dbraw/zinc/16/71/77/508167177.db2.gz ZJOOQWLRRVMXFM-HNNXBMFYSA-N 1 0 371.441 2.584 20 5 FFBDRO CCc1nn(C)c(NCC2([NH+]3CCSCC3)CCCC2)c1[N+](=O)[O-] ZINC000094135388 508170756 /nfs/dbraw/zinc/17/07/56/508170756.db2.gz AXSFZGITGMKLKJ-UHFFFAOYSA-N 1 0 353.492 2.664 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](CCO)CCc1ccccc1 ZINC000112698622 508210699 /nfs/dbraw/zinc/21/06/99/508210699.db2.gz VBMKNCSAORLTSD-UHFFFAOYSA-N 1 0 371.437 2.769 20 5 FFBDRO C[C@H](CC[NH+](C)C)Nc1ccc(I)cc1[N+](=O)[O-] ZINC000097347433 508223019 /nfs/dbraw/zinc/22/30/19/508223019.db2.gz KGLZYVVSNTWZNM-SECBINFHSA-N 1 0 363.199 2.952 20 5 FFBDRO C[NH+](C)CCC1CCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000112925280 508234351 /nfs/dbraw/zinc/23/43/51/508234351.db2.gz MTLKALTXQXBQDI-UHFFFAOYSA-N 1 0 371.441 2.584 20 5 FFBDRO CC(C)OCC[NH+]1CCC(NC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000083063810 508235713 /nfs/dbraw/zinc/23/57/13/508235713.db2.gz DVULTGZCGZOAIZ-UHFFFAOYSA-N 1 0 350.419 2.606 20 5 FFBDRO COc1cc(C[NH2+]CCCc2nc3ccccc3n2C)c([N+](=O)[O-])cc1O ZINC000076901019 508261227 /nfs/dbraw/zinc/26/12/27/508261227.db2.gz LSPUMAJBTYPRTL-UHFFFAOYSA-N 1 0 370.409 2.918 20 5 FFBDRO Cc1ccc(NC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000077178314 508283973 /nfs/dbraw/zinc/28/39/73/508283973.db2.gz NGCSERARDDAHEG-AWEZNQCLSA-N 1 0 362.430 2.526 20 5 FFBDRO COc1ccccc1C(C)(C)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000103484106 508314891 /nfs/dbraw/zinc/31/48/91/508314891.db2.gz VLVHQBSNAFSPMK-OAHLLOKOSA-N 1 0 360.410 2.868 20 5 FFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000114642782 508333586 /nfs/dbraw/zinc/33/35/86/508333586.db2.gz DLZRVUODTBARDZ-IBGZPJMESA-N 1 0 353.422 2.918 20 5 FFBDRO C[C@@H](CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)[NH+]1CCC(C)CC1 ZINC000087136608 508339110 /nfs/dbraw/zinc/33/91/10/508339110.db2.gz SCWMYFGRFPVHRQ-HNNXBMFYSA-N 1 0 360.458 2.783 20 5 FFBDRO C[NH+](C)CCN(Cc1ccccn1)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000087320669 508347258 /nfs/dbraw/zinc/34/72/58/508347258.db2.gz DWTJUOYESXSDDK-UHFFFAOYSA-N 1 0 356.426 2.513 20 5 FFBDRO CCOC(=O)c1ccnc(NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000077928735 508392719 /nfs/dbraw/zinc/39/27/19/508392719.db2.gz ABURXHSMVUAFAU-STQMWFEESA-N 1 0 350.419 2.699 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)cc1SC ZINC000115438376 508394535 /nfs/dbraw/zinc/39/45/35/508394535.db2.gz OTAVYXZRLGDDGR-GFCCVEGCSA-N 1 0 367.471 2.739 20 5 FFBDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000156352620 508406364 /nfs/dbraw/zinc/40/63/64/508406364.db2.gz AYWUGWAQCQDHHM-RYUDHWBXSA-N 1 0 355.822 2.603 20 5 FFBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)c1 ZINC000152289565 508416370 /nfs/dbraw/zinc/41/63/70/508416370.db2.gz MAWCOWWGLXPZCS-AWEZNQCLSA-N 1 0 357.414 2.849 20 5 FFBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000377685552 512397156 /nfs/dbraw/zinc/39/71/56/512397156.db2.gz ZOKJXSSEJLTZQA-HIFRSBDPSA-N 1 0 367.812 2.656 20 5 FFBDRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000152737927 508505433 /nfs/dbraw/zinc/50/54/33/508505433.db2.gz JGDWDJRHRYZJLL-MRXNPFEDSA-N 1 0 358.442 2.753 20 5 FFBDRO O=[N+]([O-])c1cc(CN2CCC[C@@H]([NH+]3CCCC3)CC2)c2c(c1)COCO2 ZINC000157319294 508551929 /nfs/dbraw/zinc/55/19/29/508551929.db2.gz OANYIXOQFVQYMP-QGZVFWFLSA-N 1 0 361.442 2.912 20 5 FFBDRO CC(C)C[C@@](C)(C[NH3+])NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000157430128 508565097 /nfs/dbraw/zinc/56/50/97/508565097.db2.gz OWYKZYHEUVYIEK-HNNXBMFYSA-N 1 0 372.263 2.780 20 5 FFBDRO O=C1c2ccccc2C(=O)N1CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153287350 508568590 /nfs/dbraw/zinc/56/85/90/508568590.db2.gz GGZHMGAKYALQIZ-UHFFFAOYSA-N 1 0 365.389 2.855 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N3C[C@@H](C)[NH2+][C@@H](C)C3)cc2[N+](=O)[O-])C1 ZINC000153306207 508569708 /nfs/dbraw/zinc/56/97/08/508569708.db2.gz DEQGOTHXLVXMLQ-KFWWJZLASA-N 1 0 360.458 2.654 20 5 FFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3nc(C4CCCC4)no3)C2)nc1 ZINC000157466272 508569959 /nfs/dbraw/zinc/56/99/59/508569959.db2.gz VJVLXFCOPMXJJB-CYBMUJFWSA-N 1 0 358.402 2.717 20 5 FFBDRO C[C@H]1C[C@H](N(C)C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC[N@@H+]1C ZINC000122832987 508593457 /nfs/dbraw/zinc/59/34/57/508593457.db2.gz WSQARMJTRPPPTF-DOTOQJQBSA-N 1 0 374.485 2.752 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N(C)[C@H]3CCC[N@H+](C)C3)cc2[N+](=O)[O-])CC1 ZINC000153610766 508607537 /nfs/dbraw/zinc/60/75/37/508607537.db2.gz YFWHILWOPLMSDG-KRWDZBQOSA-N 1 0 374.485 2.997 20 5 FFBDRO Cc1c(C(=O)NCc2ccccc2OCC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000122924032 508608175 /nfs/dbraw/zinc/60/81/75/508608175.db2.gz YEAHIASAQNRZLE-UHFFFAOYSA-N 1 0 357.410 2.774 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000122926219 508608293 /nfs/dbraw/zinc/60/82/93/508608293.db2.gz CQSBEFIQOWDZSH-INIZCTEOSA-N 1 0 372.425 2.898 20 5 FFBDRO COc1ccccc1[C@@H]1CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000157904030 508629964 /nfs/dbraw/zinc/62/99/64/508629964.db2.gz DTFQBMSTOLGKIX-WBVHZDCISA-N 1 0 372.421 2.833 20 5 FFBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)[NH+]1CCC(C)CC1 ZINC000128831930 508649452 /nfs/dbraw/zinc/64/94/52/508649452.db2.gz IXNNSHGDKKTIEQ-AWEZNQCLSA-N 1 0 356.426 2.993 20 5 FFBDRO CC(C)(C)[NH+]1CCC(NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC000153863956 508665166 /nfs/dbraw/zinc/66/51/66/508665166.db2.gz XVEDGROPRQNHCS-UHFFFAOYSA-N 1 0 360.458 2.925 20 5 FFBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000136071682 508668175 /nfs/dbraw/zinc/66/81/75/508668175.db2.gz XETJMRNSFMRIAY-CYBMUJFWSA-N 1 0 357.414 2.622 20 5 FFBDRO COc1cc(C[NH2+]CC(C)(C)CO)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000136087476 508669002 /nfs/dbraw/zinc/66/90/02/508669002.db2.gz YQYFWGNWGHSIKO-UHFFFAOYSA-N 1 0 366.336 2.653 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000153893955 508671898 /nfs/dbraw/zinc/67/18/98/508671898.db2.gz MNGYZXQYSGAADZ-GUYCJALGSA-N 1 0 359.426 2.692 20 5 FFBDRO COc1ccc(OCCC[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000118866016 508687566 /nfs/dbraw/zinc/68/75/66/508687566.db2.gz NYERRJDHMDISIL-HNNXBMFYSA-N 1 0 372.425 2.954 20 5 FFBDRO COc1ccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1[N+](=O)[O-] ZINC000154086186 508713941 /nfs/dbraw/zinc/71/39/41/508713941.db2.gz DTQKPJAORGWDIM-GDBMZVCRSA-N 1 0 359.426 2.692 20 5 FFBDRO COc1ccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1[N+](=O)[O-] ZINC000154086400 508714186 /nfs/dbraw/zinc/71/41/86/508714186.db2.gz DTQKPJAORGWDIM-GOEBONIOSA-N 1 0 359.426 2.692 20 5 FFBDRO CC1CC[NH+]([C@@H](CNC(=O)c2[nH]ncc2[N+](=O)[O-])c2cccs2)CC1 ZINC000158940775 508771571 /nfs/dbraw/zinc/77/15/71/508771571.db2.gz GEMKLOXBQUFXPY-LBPRGKRZSA-N 1 0 363.443 2.582 20 5 FFBDRO C[C@H]1C[C@@H](N(C)C(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000124068952 508778953 /nfs/dbraw/zinc/77/89/53/508778953.db2.gz ABLFHMQMMMCBHJ-BBRMVZONSA-N 1 0 371.441 2.550 20 5 FFBDRO Cn1cc([C@@H](O)C[C@H]2CCC[N@@H+]2Cc2nc3cc([N+](=O)[O-])ccc3o2)cn1 ZINC000371464075 512416745 /nfs/dbraw/zinc/41/67/45/512416745.db2.gz OEDCMBAJGZXRLT-CJNGLKHVSA-N 1 0 371.397 2.558 20 5 FFBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000119384491 508785465 /nfs/dbraw/zinc/78/54/65/508785465.db2.gz GRGBRLJTAIRTJV-INIZCTEOSA-N 1 0 374.485 2.903 20 5 FFBDRO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000142343781 508823182 /nfs/dbraw/zinc/82/31/82/508823182.db2.gz XEPJHAOCBJZGCA-INIZCTEOSA-N 1 0 358.442 2.505 20 5 FFBDRO CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000154708963 508839266 /nfs/dbraw/zinc/83/92/66/508839266.db2.gz IWHQMOZHCVMGQU-INIZCTEOSA-N 1 0 371.441 2.521 20 5 FFBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159533726 508854450 /nfs/dbraw/zinc/85/44/50/508854450.db2.gz INANOZYIXWCUGE-ZETOZRRWSA-N 1 0 355.822 2.668 20 5 FFBDRO C[N@H+](CCCNC(=O)Cc1ccc([N+](=O)[O-])cc1F)Cc1ccccc1 ZINC000124643111 508863290 /nfs/dbraw/zinc/86/32/90/508863290.db2.gz HTRYOOOUSRVLNG-UHFFFAOYSA-N 1 0 359.401 2.915 20 5 FFBDRO CCC[C@@H]1CN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC[N@@H+]1CCOC ZINC000130937677 508867864 /nfs/dbraw/zinc/86/78/64/508867864.db2.gz DWZSTBQTLCMNQF-OAHLLOKOSA-N 1 0 374.441 2.649 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000119819360 508869211 /nfs/dbraw/zinc/86/92/11/508869211.db2.gz NHBYAYVNUAQHKX-OAHLLOKOSA-N 1 0 365.430 2.868 20 5 FFBDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000155187659 508943346 /nfs/dbraw/zinc/94/33/46/508943346.db2.gz TUSJQJDTSJKFTQ-CYBMUJFWSA-N 1 0 369.425 2.527 20 5 FFBDRO O=C(NC1CC[NH+](C2CC2)CC1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000120329584 508974115 /nfs/dbraw/zinc/97/41/15/508974115.db2.gz RFUMDLKTSZWSDC-UHFFFAOYSA-N 1 0 358.442 2.896 20 5 FFBDRO O=C(N[C@@H]1CCC[NH2+]C1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000120375347 508984084 /nfs/dbraw/zinc/98/40/84/508984084.db2.gz WEMMXWZGEAEQPZ-MRXNPFEDSA-N 1 0 354.410 2.689 20 5 FFBDRO Cc1cccc([C@H]2CCC[N@@H+]2C[C@H](O)COc2cccc([N+](=O)[O-])c2)n1 ZINC000160461921 508990863 /nfs/dbraw/zinc/99/08/63/508990863.db2.gz BHKXMOHPAVYXME-QFBILLFUSA-N 1 0 357.410 2.875 20 5 FFBDRO C[NH+](C)CCn1ccc(NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)n1 ZINC000125603215 509005217 /nfs/dbraw/zinc/00/52/17/509005217.db2.gz OBYXALSXLREXLC-UHFFFAOYSA-N 1 0 372.429 2.549 20 5 FFBDRO C[NH+](C)CCN(Cc1ccco1)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000125658461 509012874 /nfs/dbraw/zinc/01/28/74/509012874.db2.gz XCHVWONFETWFHX-UHFFFAOYSA-N 1 0 370.409 2.802 20 5 FFBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000155782065 509071009 /nfs/dbraw/zinc/07/10/09/509071009.db2.gz PNQYHKLJFKINJB-OAHLLOKOSA-N 1 0 367.409 2.896 20 5 FFBDRO C[NH+](C)C[C@](C)(O)CNc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000133048231 509108789 /nfs/dbraw/zinc/10/87/89/509108789.db2.gz LAFLCDNDAUWDRA-LJQANCHMSA-N 1 0 357.410 2.550 20 5 FFBDRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000161479129 509120172 /nfs/dbraw/zinc/12/01/72/509120172.db2.gz UGSUHJOCLXUPLI-QWHCGFSZSA-N 1 0 363.439 2.915 20 5 FFBDRO Cc1sc(S(=O)(=O)NCC[C@@H](C)[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000127060136 509164064 /nfs/dbraw/zinc/16/40/64/509164064.db2.gz GEQQTSLFUQGBSI-LLVKDONJSA-N 1 0 361.489 2.508 20 5 FFBDRO CNC(=O)c1ccc(N(CC[NH+](C)C)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000161918025 509164599 /nfs/dbraw/zinc/16/45/99/509164599.db2.gz IOMQAWHDALRCBC-UHFFFAOYSA-N 1 0 356.426 2.523 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCCC[C@H]2c2ncc[nH]2)c1C ZINC000121398588 509171927 /nfs/dbraw/zinc/17/19/27/509171927.db2.gz TZMYHELCZWPUFW-AWEZNQCLSA-N 1 0 364.427 2.851 20 5 FFBDRO COc1cc(NC2CC[NH+](CCOC(C)C)CC2)c([N+](=O)[O-])cc1OC ZINC000121570526 509178760 /nfs/dbraw/zinc/17/87/60/509178760.db2.gz DDILEEAAKCSHBL-UHFFFAOYSA-N 1 0 367.446 2.913 20 5 FFBDRO Cc1ccc([C@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2)[NH+]2CCCC2)o1 ZINC000263851009 509187188 /nfs/dbraw/zinc/18/71/88/509187188.db2.gz YVSUIDGVJRQIRC-KRWDZBQOSA-N 1 0 357.410 2.992 20 5 FFBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000266773662 509187645 /nfs/dbraw/zinc/18/76/45/509187645.db2.gz XWOBZLIRZYKKOG-HOTGVXAUSA-N 1 0 360.458 2.730 20 5 FFBDRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000266776901 509188741 /nfs/dbraw/zinc/18/87/41/509188741.db2.gz BVUGZZUIESZVRM-OLZOCXBDSA-N 1 0 363.439 2.915 20 5 FFBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)n1 ZINC000191830965 509201038 /nfs/dbraw/zinc/20/10/38/509201038.db2.gz XPFYLUJHBHVSMF-OAHLLOKOSA-N 1 0 371.441 2.548 20 5 FFBDRO C[C@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@H]1COc2ccccc21 ZINC000185566463 509240831 /nfs/dbraw/zinc/24/08/31/509240831.db2.gz NMIGNNCACCKLJS-SUMWQHHRSA-N 1 0 367.405 2.638 20 5 FFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000172801697 509243456 /nfs/dbraw/zinc/24/34/56/509243456.db2.gz FAEOAIPVZCWCHB-TZMCWYRMSA-N 1 0 366.849 2.745 20 5 FFBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000176004348 509268624 /nfs/dbraw/zinc/26/86/24/509268624.db2.gz XBPQWHLJSFMMEP-GWCFXTLKSA-N 1 0 370.247 2.770 20 5 FFBDRO COc1cc[nH+]c(N2CCN(c3ccc(C(C)=O)cc3[N+](=O)[O-])CC2)c1 ZINC000264168566 509361109 /nfs/dbraw/zinc/36/11/09/509361109.db2.gz WDCUMWXNEFANSK-UHFFFAOYSA-N 1 0 356.382 2.528 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])cc2OC)[C@@H](C)C1 ZINC000248555316 509361826 /nfs/dbraw/zinc/36/18/26/509361826.db2.gz BEEDVTMZOPOBMS-WFASDCNBSA-N 1 0 350.419 2.797 20 5 FFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000264244275 509407740 /nfs/dbraw/zinc/40/77/40/509407740.db2.gz WBIAWSRXUUHQMF-CYBMUJFWSA-N 1 0 351.472 2.876 20 5 FFBDRO O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1csc([N+](=O)[O-])c1 ZINC000264285978 509433608 /nfs/dbraw/zinc/43/36/08/509433608.db2.gz JFZXEMLZZQLFGT-OAHLLOKOSA-N 1 0 359.451 2.951 20 5 FFBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2c(C)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000248725149 509453114 /nfs/dbraw/zinc/45/31/14/509453114.db2.gz IDEWMDWXSPEMKQ-JKSUJKDBSA-N 1 0 363.458 2.770 20 5 FFBDRO CC(C)C1CCC([NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000236587731 509460818 /nfs/dbraw/zinc/46/08/18/509460818.db2.gz ZJNSFJYPFXDLQO-UHFFFAOYSA-N 1 0 369.487 2.678 20 5 FFBDRO O=[N+]([O-])c1ccccc1CNC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000192357659 509480364 /nfs/dbraw/zinc/48/03/64/509480364.db2.gz GMSVPQZUJDRPMX-IBGZPJMESA-N 1 0 355.438 2.976 20 5 FFBDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2Br)C1 ZINC000192371404 509487536 /nfs/dbraw/zinc/48/75/36/509487536.db2.gz NWRGSJPKJPEQQG-QWRGUYRKSA-N 1 0 370.247 2.960 20 5 FFBDRO Cc1ccc2ncc(CN3CCN(c4ccccc4[N+](=O)[O-])CC3)n2c1 ZINC000179590540 509525716 /nfs/dbraw/zinc/52/57/16/509525716.db2.gz OCEPVHYRGVQHDZ-UHFFFAOYSA-N 1 0 351.410 2.873 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000182976945 509526906 /nfs/dbraw/zinc/52/69/06/509526906.db2.gz SVPKTEUNGYOHTQ-CYBMUJFWSA-N 1 0 350.419 2.989 20 5 FFBDRO CCCC[C@H](C[NH3+])NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000236900286 509529734 /nfs/dbraw/zinc/52/97/34/509529734.db2.gz KTRGGWNXVATTGW-OAHLLOKOSA-N 1 0 351.450 2.788 20 5 FFBDRO C[C@H]([NH2+]Cc1cccc(OCC(=O)N(C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000173331809 509534946 /nfs/dbraw/zinc/53/49/46/509534946.db2.gz VORZSNLOVCSGDZ-AWEZNQCLSA-N 1 0 357.410 2.913 20 5 FFBDRO COc1ccc(COC[C@@H](O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000173356443 509550547 /nfs/dbraw/zinc/55/05/47/509550547.db2.gz RSNJFKYBUXDTRX-KSSFIOAISA-N 1 0 360.410 2.832 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)c1 ZINC000173374311 509559677 /nfs/dbraw/zinc/55/96/77/509559677.db2.gz RNAXOHAZHMEMKQ-IAGOWNOFSA-N 1 0 374.485 2.534 20 5 FFBDRO Cc1cc([N+](=O)[O-])cnc1NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000264516314 509574564 /nfs/dbraw/zinc/57/45/64/509574564.db2.gz YZXOXOUICWKSSA-UHFFFAOYSA-N 1 0 356.426 2.867 20 5 FFBDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000237135882 509579819 /nfs/dbraw/zinc/57/98/19/509579819.db2.gz KDJAGUWAOZFZEE-INMHGKMJSA-N 1 0 374.485 2.901 20 5 FFBDRO CC[C@@H]1CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000165982012 509589890 /nfs/dbraw/zinc/58/98/90/509589890.db2.gz BHLOEQODUSMBPU-NOZJJQNGSA-N 1 0 356.220 2.557 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](CCCO)c1ccccc1 ZINC000179741541 509598907 /nfs/dbraw/zinc/59/89/07/509598907.db2.gz LCDZCGNSEJCJGO-KRWDZBQOSA-N 1 0 357.410 2.945 20 5 FFBDRO C[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccccc1-n1cccn1 ZINC000183135405 509619542 /nfs/dbraw/zinc/61/95/42/509619542.db2.gz HHIYHRTXFRIZJK-ZDUSSCGKSA-N 1 0 365.393 2.730 20 5 FFBDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000237376151 509636263 /nfs/dbraw/zinc/63/62/63/509636263.db2.gz MFQSBPHSFKEGHT-YPMHNXCESA-N 1 0 360.439 2.918 20 5 FFBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NCC[NH2+]C3CC3)cc2[N+](=O)[O-])C1 ZINC000237478151 509657966 /nfs/dbraw/zinc/65/79/66/509657966.db2.gz JYAXPQBSPSLLFM-ZIAGYGMSSA-N 1 0 360.458 2.559 20 5 FFBDRO C[C@@H]1CCCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)[C@H]1C[NH3+] ZINC000237515653 509667016 /nfs/dbraw/zinc/66/70/16/509667016.db2.gz JMLSFIHNEOBUAU-QRWLVFNGSA-N 1 0 363.461 2.741 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)cc1C ZINC000173667897 509709316 /nfs/dbraw/zinc/70/93/16/509709316.db2.gz JQIZYUOBFLULIS-HNNXBMFYSA-N 1 0 369.487 2.707 20 5 FFBDRO NC(=O)C1(C[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000180100518 509751545 /nfs/dbraw/zinc/75/15/45/509751545.db2.gz OTVNWJMMTIWLDQ-GOSISDBHSA-N 1 0 369.421 2.556 20 5 FFBDRO COc1ccc(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000180109301 509756762 /nfs/dbraw/zinc/75/67/62/509756762.db2.gz LRXDHDZXNHMAQX-QAPCUYQASA-N 1 0 355.394 2.779 20 5 FFBDRO COc1cc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000180115236 509760598 /nfs/dbraw/zinc/76/05/98/509760598.db2.gz GIARMDDTWZXIQX-YJBOKZPZSA-N 1 0 355.394 2.779 20 5 FFBDRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000237881690 509760833 /nfs/dbraw/zinc/76/08/33/509760833.db2.gz VRFARPPCFANSPT-YJBOKZPZSA-N 1 0 363.461 2.788 20 5 FFBDRO CC(C)CCOC1CC[NH+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000193108884 509783651 /nfs/dbraw/zinc/78/36/51/509783651.db2.gz FHQCFJNCFLRGEI-KRWDZBQOSA-N 1 0 366.458 2.862 20 5 FFBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000268183521 509801603 /nfs/dbraw/zinc/80/16/03/509801603.db2.gz LXOGJEQWMGNUEF-NOZJJQNGSA-N 1 0 357.332 2.826 20 5 FFBDRO COc1cc(NC2CC[NH+](C[C@@H]3CCOC3)CC2)c([N+](=O)[O-])cc1F ZINC000268192844 509806603 /nfs/dbraw/zinc/80/66/03/509806603.db2.gz NCXWFPSWHUTSDH-LBPRGKRZSA-N 1 0 353.394 2.655 20 5 FFBDRO COc1ccc(C[NH2+]Cc2ccnc(OC3CCOCC3)c2)cc1[N+](=O)[O-] ZINC000265001154 509816883 /nfs/dbraw/zinc/81/68/83/509816883.db2.gz ZSBMAFRPVHFHGJ-UHFFFAOYSA-N 1 0 373.409 2.846 20 5 FFBDRO CN(CC[N@H+](C)C1CC1)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000186717717 509869778 /nfs/dbraw/zinc/86/97/78/509869778.db2.gz AJJWSRZJRZTPBR-UHFFFAOYSA-N 1 0 356.220 2.524 20 5 FFBDRO Cn1cc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(C(C)(C)C)n1 ZINC000180345083 509878388 /nfs/dbraw/zinc/87/83/88/509878388.db2.gz HJLHQSCJPGMCRJ-CQSZACIVSA-N 1 0 358.446 2.707 20 5 FFBDRO C[C@H]1C[C@@H](NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C[N@@H+]1C1CC1 ZINC000177154109 509905231 /nfs/dbraw/zinc/90/52/31/509905231.db2.gz OPHPKQDLLZYTGE-GOEBONIOSA-N 1 0 372.469 2.553 20 5 FFBDRO COc1ccc(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1O ZINC000171052598 509909107 /nfs/dbraw/zinc/90/91/07/509909107.db2.gz YBUOVTPTIWMKOB-UHFFFAOYSA-N 1 0 368.393 2.999 20 5 FFBDRO COc1cccc(COC[C@H](O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000180420010 509917311 /nfs/dbraw/zinc/91/73/11/509917311.db2.gz YCCADIWHYKVOKR-KBXCAEBGSA-N 1 0 360.410 2.832 20 5 FFBDRO CC(C)[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1Cl ZINC000183704226 509935980 /nfs/dbraw/zinc/93/59/80/509935980.db2.gz QCRHAQLZYWQWSZ-CJNGLKHVSA-N 1 0 352.822 2.793 20 5 FFBDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000193494958 509939783 /nfs/dbraw/zinc/93/97/83/509939783.db2.gz ZOQVLGIXWWKKIP-JQWIXIFHSA-N 1 0 374.363 2.672 20 5 FFBDRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000180476304 509943253 /nfs/dbraw/zinc/94/32/53/509943253.db2.gz LTMGKYZULGHCIY-LLVKDONJSA-N 1 0 357.357 2.800 20 5 FFBDRO Cc1nc(N(C)C2CC[NH+](CCc3ccccn3)CC2)ccc1[N+](=O)[O-] ZINC000268481311 509960510 /nfs/dbraw/zinc/96/05/10/509960510.db2.gz LNWSGSIMVMKMGL-UHFFFAOYSA-N 1 0 355.442 2.837 20 5 FFBDRO COC(=O)c1cnc(NCc2cccc(C[NH+]3CCCC3)c2)c([N+](=O)[O-])c1 ZINC000190166932 509982630 /nfs/dbraw/zinc/98/26/30/509982630.db2.gz UBCAVHHTBYVNKF-UHFFFAOYSA-N 1 0 370.409 2.984 20 5 FFBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000180560165 509984096 /nfs/dbraw/zinc/98/40/96/509984096.db2.gz BSNSNUGLWIZFEU-SNVBAGLBSA-N 1 0 358.236 2.817 20 5 FFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000177342758 510004447 /nfs/dbraw/zinc/00/44/47/510004447.db2.gz NFYQEVJANZQXSK-ZBFHGGJFSA-N 1 0 357.414 2.703 20 5 FFBDRO Cc1c(C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000265361956 510013884 /nfs/dbraw/zinc/01/38/84/510013884.db2.gz ZWVONHXTWHOIRS-CYBMUJFWSA-N 1 0 364.402 2.534 20 5 FFBDRO COC(=O)[C@]1(C)CC[N@@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000177425856 510050979 /nfs/dbraw/zinc/05/09/79/510050979.db2.gz JXKKXJSJZSHVDP-APPDUMDISA-N 1 0 360.370 2.591 20 5 FFBDRO Cc1cc(C(=O)N2CCC[C@H]2c2nc(C3([NH3+])CCC3)no2)ccc1[N+](=O)[O-] ZINC000261779437 510059746 /nfs/dbraw/zinc/05/97/46/510059746.db2.gz NTJRYZMAFYAEAF-AWEZNQCLSA-N 1 0 371.397 2.601 20 5 FFBDRO O=[N+]([O-])c1ccc(OCC[NH+]2CCC(OC[C@@H]3CCCO3)CC2)cc1 ZINC000177463607 510074600 /nfs/dbraw/zinc/07/46/00/510074600.db2.gz FYNWIEQQVYVGSA-SFHVURJKSA-N 1 0 350.415 2.634 20 5 FFBDRO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000245675452 510078086 /nfs/dbraw/zinc/07/80/86/510078086.db2.gz HCPPXYHMOGMXAA-IINYFYTJSA-N 1 0 370.247 2.816 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[NH2+]C[C@H]1c1ccccc1OC ZINC000261838685 510083933 /nfs/dbraw/zinc/08/39/33/510083933.db2.gz UFDRZRITHBCXSK-KRWDZBQOSA-N 1 0 357.410 2.759 20 5 FFBDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000261873977 510097509 /nfs/dbraw/zinc/09/75/09/510097509.db2.gz SRMVJHRKNHJYPY-ILXRZTDVSA-N 1 0 360.458 2.640 20 5 FFBDRO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000245716652 510104056 /nfs/dbraw/zinc/10/40/56/510104056.db2.gz QILUOPAPUCFFIS-NVXWUHKLSA-N 1 0 360.414 2.512 20 5 FFBDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000261902240 510108160 /nfs/dbraw/zinc/10/81/60/510108160.db2.gz WVVAGJCSKMYCDJ-FZKCQIBNSA-N 1 0 374.485 2.886 20 5 FFBDRO O=C(NC1CC[NH+](CC2CC2)CC1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000180785450 510108244 /nfs/dbraw/zinc/10/82/44/510108244.db2.gz OLELFXSQLJJBKT-UHFFFAOYSA-N 1 0 369.368 2.800 20 5 FFBDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000177566165 510137088 /nfs/dbraw/zinc/13/70/88/510137088.db2.gz OBABGUCZOVWJEZ-QWRGUYRKSA-N 1 0 370.247 2.960 20 5 FFBDRO Cn1ccnc1[C@H]1C[NH2+]CCN1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000262003935 510145607 /nfs/dbraw/zinc/14/56/07/510145607.db2.gz LNVDDFJTKDWPQP-QGZVFWFLSA-N 1 0 367.409 2.735 20 5 FFBDRO COc1ccccc1[C@H]1CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000265631345 510147520 /nfs/dbraw/zinc/14/75/20/510147520.db2.gz DTFQBMSTOLGKIX-DOTOQJQBSA-N 1 0 372.421 2.833 20 5 FFBDRO CCc1n[nH]c(C(=O)N2CCC(CCC[NH+](CC)CC)CC2)c1[N+](=O)[O-] ZINC000180886708 510164531 /nfs/dbraw/zinc/16/45/31/510164531.db2.gz VCNIOHRQKGVGST-UHFFFAOYSA-N 1 0 365.478 2.855 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000262079752 510169716 /nfs/dbraw/zinc/16/97/16/510169716.db2.gz XNEMESONYQCWLF-ZWKOTPCHSA-N 1 0 368.437 2.659 20 5 FFBDRO CC[NH+]1CCN(c2cccc(NC(=O)c3cc([N+](=O)[O-])cnc3C)c2)CC1 ZINC000184260857 510226492 /nfs/dbraw/zinc/22/64/92/510226492.db2.gz ZIWFRUJQGFZUOH-UHFFFAOYSA-N 1 0 369.425 2.692 20 5 FFBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000181037159 510250320 /nfs/dbraw/zinc/25/03/20/510250320.db2.gz SZSWBFPZSNRZMX-OAHLLOKOSA-N 1 0 360.458 2.905 20 5 FFBDRO COc1cc(C[N@H+](C)C[C@H]2CCC[C@H]2O)c([N+](=O)[O-])cc1OCC(F)F ZINC000246037544 510259071 /nfs/dbraw/zinc/25/90/71/510259071.db2.gz WSBZJWCEBIFDBD-BXUZGUMPSA-N 1 0 374.384 2.840 20 5 FFBDRO CO[C@@H]1CC[C@@H]2OCC[N@H+](CCCOc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000246044306 510263221 /nfs/dbraw/zinc/26/32/21/510263221.db2.gz AOLZDXUJGLRTSH-SQNIBIBYSA-N 1 0 350.415 2.632 20 5 FFBDRO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000265907818 510292690 /nfs/dbraw/zinc/29/26/90/510292690.db2.gz AISVKMWEVRMDJN-NDMCHQMPSA-N 1 0 367.833 2.978 20 5 FFBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CC[C@H]([NH3+])[C@H](C)C3)cc2[N+](=O)[O-])C1 ZINC000269259139 510313341 /nfs/dbraw/zinc/31/33/41/510313341.db2.gz IQHBUIWNQZCTRZ-DLTWYDFYSA-N 1 0 374.485 2.886 20 5 FFBDRO CCCN(C(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000262578419 510323262 /nfs/dbraw/zinc/32/32/62/510323262.db2.gz KTLFUEZLQIWGMY-WCQYABFASA-N 1 0 355.822 2.616 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2noc(CN3CCC[C@@H]3C[NH+]3CCCC3)n2)cc1 ZINC000171708520 510323307 /nfs/dbraw/zinc/32/33/07/510323307.db2.gz RWWHAWRROUHBJA-MRXNPFEDSA-N 1 0 357.414 2.705 20 5 FFBDRO Cc1ccc([C@@H](C)[NH2+]CCN2C(=O)c3ccccc3C2=O)cc1[N+](=O)[O-] ZINC000177966906 510350383 /nfs/dbraw/zinc/35/03/83/510350383.db2.gz CZMRRVNSPOGSCN-CYBMUJFWSA-N 1 0 353.378 2.850 20 5 FFBDRO COc1cc(C[N@H+](C)CCn2cc([N+](=O)[O-])cn2)c(SC)cc1OC ZINC000174872975 510357843 /nfs/dbraw/zinc/35/78/43/510357843.db2.gz VEZLBIZIMMVJGN-UHFFFAOYSA-N 1 0 366.443 2.662 20 5 FFBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000269365559 510364929 /nfs/dbraw/zinc/36/49/29/510364929.db2.gz VKFZTWSXKWUKKC-ACJLOTCBSA-N 1 0 358.442 2.752 20 5 FFBDRO CC(C)c1n[nH]c(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000269428955 510402612 /nfs/dbraw/zinc/40/26/12/510402612.db2.gz ZFGNNRCSTMSZOY-HNNXBMFYSA-N 1 0 371.441 2.836 20 5 FFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000246328462 510430362 /nfs/dbraw/zinc/43/03/62/510430362.db2.gz DLIYXHHXNCPSQT-MAUKXSAKSA-N 1 0 363.458 2.535 20 5 FFBDRO CCC[NH+]1CCC(N(C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000175048970 510459019 /nfs/dbraw/zinc/45/90/19/510459019.db2.gz PMQUXWFFGRMJHK-UHFFFAOYSA-N 1 0 350.419 2.942 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000181566567 510477370 /nfs/dbraw/zinc/47/73/70/510477370.db2.gz PHWOIAULMWPSTL-STQMWFEESA-N 1 0 363.439 2.962 20 5 FFBDRO CN(CC1([NH+](C)C)CCC1)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000187995633 510539893 /nfs/dbraw/zinc/53/98/93/510539893.db2.gz HLGPAUHNSHMAQV-UHFFFAOYSA-N 1 0 374.485 2.754 20 5 FFBDRO COC(=O)c1oc([C@@H](C)[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1C ZINC000246572607 510563449 /nfs/dbraw/zinc/56/34/49/510563449.db2.gz BYAIICYGMHFCGC-CHWSQXEVSA-N 1 0 374.397 2.925 20 5 FFBDRO C[NH+](C)CCN1CCC(Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000266418391 510574469 /nfs/dbraw/zinc/57/44/69/510574469.db2.gz RRPZDCHEBGPJMT-UHFFFAOYSA-N 1 0 358.389 2.634 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N3CC[C@@H](C[NH+](C)C)C3)cc2[N+](=O)[O-])CC1 ZINC000172210253 510601259 /nfs/dbraw/zinc/60/12/59/510601259.db2.gz VOFHERLBDIWWGX-INIZCTEOSA-N 1 0 374.485 2.855 20 5 FFBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] ZINC000181839491 510620855 /nfs/dbraw/zinc/62/08/55/510620855.db2.gz LFNBRPBNFUFCAK-ZDUSSCGKSA-N 1 0 371.393 2.964 20 5 FFBDRO CCC1(CC)[C@H]([NH2+]CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C[C@@H]1OC ZINC000191363441 510624373 /nfs/dbraw/zinc/62/43/73/510624373.db2.gz IOWRTTYRAYVUFU-CVEARBPZSA-N 1 0 365.430 2.725 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000191384969 510632508 /nfs/dbraw/zinc/63/25/08/510632508.db2.gz CAMJEOWGXIGKSJ-UHFFFAOYSA-N 1 0 362.430 2.540 20 5 FFBDRO CC[C@@H]([NH2+][C@H]1CCCN(c2ccn(C)n2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000178676624 510716842 /nfs/dbraw/zinc/71/68/42/510716842.db2.gz PMSYXAUOBFOVLI-CVEARBPZSA-N 1 0 357.414 2.565 20 5 FFBDRO C[NH+]1CCC([C@H]2CCN(C(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)C2)CC1 ZINC000270253840 510736267 /nfs/dbraw/zinc/73/62/67/510736267.db2.gz QQWQSDMRGZFLLM-AWEZNQCLSA-N 1 0 356.426 2.880 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000182098119 510758473 /nfs/dbraw/zinc/75/84/73/510758473.db2.gz NVZPFDHMUFISGC-CQSZACIVSA-N 1 0 357.410 2.854 20 5 FFBDRO Cc1c(Br)cc(C(=O)N2CC[C@@H](C[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000178806315 510782142 /nfs/dbraw/zinc/78/21/42/510782142.db2.gz CAJFAZOUAIRVEG-NSHDSACASA-N 1 0 370.247 2.689 20 5 FFBDRO O=C1[C@@H](N2CCC(c3ccncc3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000191679498 510783123 /nfs/dbraw/zinc/78/31/23/510783123.db2.gz VXFMGICLCPHWAP-IBGZPJMESA-N 1 0 366.421 2.975 20 5 FFBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@H](C2OCCO2)C1 ZINC000263680958 510785759 /nfs/dbraw/zinc/78/57/59/510785759.db2.gz OTPIWDCVCMXZKF-OCCSQVGLSA-N 1 0 374.397 2.791 20 5 FFBDRO COC(=O)C[C@@H]1CN(Cc2cc(=O)oc3ccc4ccccc4c23)CCO1 ZINC000178812538 510786167 /nfs/dbraw/zinc/78/61/67/510786167.db2.gz GUVYZFWBBDBNHN-MRXNPFEDSA-N 1 0 367.401 2.710 20 5 FFBDRO O=C1CCc2cc([N+](=O)[O-])c(N3CCC([NH+]4CCCCC4)CC3)cc2N1 ZINC000263678842 510786250 /nfs/dbraw/zinc/78/62/50/510786250.db2.gz HQWQXZJKLOQEEB-UHFFFAOYSA-N 1 0 358.442 2.934 20 5 FFBDRO CCC(CC)[C@@H](CNc1c([N+](=O)[O-])c(C)nn1CC)N1CCOCC1 ZINC000195343857 510794234 /nfs/dbraw/zinc/79/42/34/510794234.db2.gz BPERUGNKVXVDJW-OAHLLOKOSA-N 1 0 353.467 2.669 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C1(c2nccs2)CCCC1 ZINC000182193162 510807864 /nfs/dbraw/zinc/80/78/64/510807864.db2.gz AVUGLZCNMBQUNC-CYBMUJFWSA-N 1 0 363.439 2.850 20 5 FFBDRO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)C2 ZINC000182258121 510836217 /nfs/dbraw/zinc/83/62/17/510836217.db2.gz QWTCYPDVOJISHA-CMPLNLGQSA-N 1 0 355.341 2.505 20 5 FFBDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000182307842 510847996 /nfs/dbraw/zinc/84/79/96/510847996.db2.gz DMONUKUDFJGHBS-QWRGUYRKSA-N 1 0 357.357 2.799 20 5 FFBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000182307884 510848130 /nfs/dbraw/zinc/84/81/30/510848130.db2.gz DMONUKUDFJGHBS-MNOVXSKESA-N 1 0 357.357 2.799 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)[C@@H](C)C1 ZINC000247239046 510853838 /nfs/dbraw/zinc/85/38/38/510853838.db2.gz DGOMFXLTEIGFAL-KBXCAEBGSA-N 1 0 371.441 2.583 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H](C)C1 ZINC000247556755 510865659 /nfs/dbraw/zinc/86/56/59/510865659.db2.gz ZGTMBFDYOXXZMA-KBXCAEBGSA-N 1 0 371.441 2.583 20 5 FFBDRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3ccc(C(C)C)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000294008357 510927166 /nfs/dbraw/zinc/92/71/66/510927166.db2.gz YEBQZQJPGMPEIU-ZWKOTPCHSA-N 1 0 361.442 2.653 20 5 FFBDRO COCC[N@H+](C)CCCNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000277698774 510969655 /nfs/dbraw/zinc/96/96/55/510969655.db2.gz HIEGUJXCSKSGFH-UHFFFAOYSA-N 1 0 367.449 2.792 20 5 FFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCCc2nn(C)cc21 ZINC000282421195 510969818 /nfs/dbraw/zinc/96/98/18/510969818.db2.gz LTKNAZFOEWYDFV-BLLLJJGKSA-N 1 0 357.414 2.713 20 5 FFBDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)c3cc([N+](=O)[O-])ccc3N3CCCC3)C2)C1 ZINC000294195843 510987370 /nfs/dbraw/zinc/98/73/70/510987370.db2.gz PUWOVRUVUISNHA-FQEVSTJZSA-N 1 0 372.469 2.753 20 5 FFBDRO Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC000282460950 510987438 /nfs/dbraw/zinc/98/74/38/510987438.db2.gz LNBMMYWEIFPNFB-UHFFFAOYSA-N 1 0 370.457 2.845 20 5 FFBDRO COC(=O)[C@]1(C)C[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]1C ZINC000282515387 511007952 /nfs/dbraw/zinc/00/79/52/511007952.db2.gz PAPUKNYEJODQBU-KZULUSFZSA-N 1 0 359.382 2.881 20 5 FFBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000286266411 511020960 /nfs/dbraw/zinc/02/09/60/511020960.db2.gz VVHSKNWMCNQJGX-LRAJWGHMSA-N 1 0 363.461 2.657 20 5 FFBDRO COc1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])cc1F ZINC000294597871 511116383 /nfs/dbraw/zinc/11/63/83/511116383.db2.gz ZAWSFVKEQYGNKU-CQSZACIVSA-N 1 0 373.384 2.747 20 5 FFBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000279646835 511159619 /nfs/dbraw/zinc/15/96/19/511159619.db2.gz WHVBSBYIGJTGCG-SNVBAGLBSA-N 1 0 355.797 2.530 20 5 FFBDRO COc1ccc(OCC[NH+]2CCC([C@@H]3CCOC3)CC2)c([N+](=O)[O-])c1 ZINC000364942118 511166651 /nfs/dbraw/zinc/16/66/51/511166651.db2.gz HZCPREWGMJGXEH-OAHLLOKOSA-N 1 0 350.415 2.731 20 5 FFBDRO COCCn1cc(C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])cn1 ZINC000282941904 511170605 /nfs/dbraw/zinc/17/06/05/511170605.db2.gz YXEXMIUXQBVEGI-WMZOPIPTSA-N 1 0 358.442 2.939 20 5 FFBDRO CS(=O)(=O)C1(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CCC1 ZINC000279767324 511208160 /nfs/dbraw/zinc/20/81/60/511208160.db2.gz JWXBAEMNUVLJDU-GOEBONIOSA-N 1 0 366.483 2.863 20 5 FFBDRO CCOC1(C)CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000298260755 511228097 /nfs/dbraw/zinc/22/80/97/511228097.db2.gz MLAXPNAEHRYCIO-UHFFFAOYSA-N 1 0 353.394 2.954 20 5 FFBDRO O=C(c1cc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000363021317 511301162 /nfs/dbraw/zinc/30/11/62/511301162.db2.gz KZZOMSODTICKCX-HOTGVXAUSA-N 1 0 358.442 2.870 20 5 FFBDRO COc1cccc(COC[C@@H](O)C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000271813132 511333752 /nfs/dbraw/zinc/33/37/52/511333752.db2.gz YQSNUYSNSPDLCR-ZBFHGGJFSA-N 1 0 360.410 2.832 20 5 FFBDRO Cc1c(Br)cc(C(=O)NCC2=CC[N@H+](C)CC2)cc1[N+](=O)[O-] ZINC000271859761 511350195 /nfs/dbraw/zinc/35/01/95/511350195.db2.gz KEGLTZSXGHZFFE-UHFFFAOYSA-N 1 0 368.231 2.657 20 5 FFBDRO C[C@H]1CN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC[N@@H+](C2CC2)C1 ZINC000295341750 511370530 /nfs/dbraw/zinc/37/05/30/511370530.db2.gz MRLIHZZRMPZKFI-OAHLLOKOSA-N 1 0 372.469 2.751 20 5 FFBDRO O=C(NC1CC([NH+]2CCCCC2)C1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000365416071 511437410 /nfs/dbraw/zinc/43/74/10/511437410.db2.gz BDRYRVHKFRHQKZ-UHFFFAOYSA-N 1 0 369.368 2.943 20 5 FFBDRO CCOc1cc(N2CCN(c3ncnc4[nH]ccc43)CC2)ccc1[N+](=O)[O-] ZINC000280366235 511438226 /nfs/dbraw/zinc/43/82/26/511438226.db2.gz YBSKKADPTOPXCI-UHFFFAOYSA-N 1 0 368.397 2.591 20 5 FFBDRO COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)CCC(C)(C)[N+](=O)[O-])cc1 ZINC000295655795 511473123 /nfs/dbraw/zinc/47/31/23/511473123.db2.gz HFTSNOLPQFQDGC-KRWDZBQOSA-N 1 0 363.458 2.784 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000272260131 511483706 /nfs/dbraw/zinc/48/37/06/511483706.db2.gz UYIVZEXPWSBZCG-WFASDCNBSA-N 1 0 355.385 2.875 20 5 FFBDRO Cc1c(NC(=O)CC[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)cccc1[N+](=O)[O-] ZINC000295820149 511524826 /nfs/dbraw/zinc/52/48/26/511524826.db2.gz BWOVBUYQCYUDPG-MORSLUCNSA-N 1 0 359.426 2.779 20 5 FFBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000363416269 511536234 /nfs/dbraw/zinc/53/62/34/511536234.db2.gz BHAQXWSBQOZYKC-FUHWJXTLSA-N 1 0 360.458 2.844 20 5 FFBDRO C[C@H]1C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@]2(CCOC2)O1 ZINC000280623855 511536401 /nfs/dbraw/zinc/53/64/01/511536401.db2.gz WVELQSDHLRNDIV-LIRRHRJNSA-N 1 0 373.409 2.672 20 5 FFBDRO COc1cc(OC)cc([C@H](O)C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000283995534 511569452 /nfs/dbraw/zinc/56/94/52/511569452.db2.gz HMYTXSWMARFYKA-ADLMAVQZSA-N 1 0 361.398 2.578 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCCc3c1cnn3CCO)CCC2 ZINC000365715403 511616883 /nfs/dbraw/zinc/61/68/83/511616883.db2.gz NGVBCLICMRVJJK-ZWKOTPCHSA-N 1 0 356.426 2.828 20 5 FFBDRO CC[C@@H](O)[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000299420230 511629267 /nfs/dbraw/zinc/62/92/67/511629267.db2.gz WUMPFVJDRMAMTC-JKSUJKDBSA-N 1 0 365.430 2.557 20 5 FFBDRO CS[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000284206021 511641608 /nfs/dbraw/zinc/64/16/08/511641608.db2.gz SRNMCESMTRYXOK-CVEARBPZSA-N 1 0 366.443 2.515 20 5 FFBDRO O=C1Nc2ccccc2[C@]12CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C2 ZINC000365794476 511656738 /nfs/dbraw/zinc/65/67/38/511656738.db2.gz JKOBTSOBYCBXQA-GOSISDBHSA-N 1 0 368.349 2.599 20 5 FFBDRO CC[C@@H](C)[NH+]1CCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000296232084 511665755 /nfs/dbraw/zinc/66/57/55/511665755.db2.gz WQTAXSRUGGNUCD-GFCCVEGCSA-N 1 0 354.838 2.603 20 5 FFBDRO C[C@@H]([NH2+]Cc1ccccc1CN1CCOCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284295429 511672971 /nfs/dbraw/zinc/67/29/71/511672971.db2.gz YHCXFSSZAIBKEO-OAHLLOKOSA-N 1 0 370.453 2.860 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H](c2ccco2)[NH+]2CCCC2)n1 ZINC000281052984 511703226 /nfs/dbraw/zinc/70/32/26/511703226.db2.gz XNASDZBRBAPOGI-CQSZACIVSA-N 1 0 360.370 2.618 20 5 FFBDRO CC1(C)[C@H]([NH2+]CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]2CCO[C@H]21 ZINC000296489500 511764396 /nfs/dbraw/zinc/76/43/96/511764396.db2.gz YTAMZCBXMWCUBY-COLVAYQJSA-N 1 0 353.806 2.590 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H](C)C[N@H+](C)Cc2ccccc2)n1 ZINC000311403536 511775921 /nfs/dbraw/zinc/77/59/21/511775921.db2.gz UUMOGISDZSKRCW-CYBMUJFWSA-N 1 0 358.398 2.709 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000312516902 511784612 /nfs/dbraw/zinc/78/46/12/511784612.db2.gz SWIRHADTCVOGKA-OAHLLOKOSA-N 1 0 370.409 2.710 20 5 FFBDRO CC(C)c1n[nH]c(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000274326643 511795591 /nfs/dbraw/zinc/79/55/91/511795591.db2.gz YUTFYRKOGVUFPL-ZFWWWQNUSA-N 1 0 371.441 2.692 20 5 FFBDRO O=C(N[C@@H]1CC[NH2+]C2(CCC2)C1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000316947415 511804351 /nfs/dbraw/zinc/80/43/51/511804351.db2.gz HPTHKWINSBSLJS-GFCCVEGCSA-N 1 0 368.231 2.762 20 5 FFBDRO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)C2 ZINC000319270933 511809158 /nfs/dbraw/zinc/80/91/58/511809158.db2.gz FTRKWQFDVMYLFB-NHYWBVRUSA-N 1 0 368.231 2.558 20 5 FFBDRO O=C(CC[N@@H+]1CCC[C@@H]1[C@H]1CCCO1)Nc1cc([N+](=O)[O-])ccc1F ZINC000284656776 511812303 /nfs/dbraw/zinc/81/23/03/511812303.db2.gz GGFNXNNIDIKCNZ-HZPDHXFCSA-N 1 0 351.378 2.706 20 5 FFBDRO C[C@H]1CN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC[N@@H+](C2CC2)C1 ZINC000296715272 511866892 /nfs/dbraw/zinc/86/68/92/511866892.db2.gz MKEOIGBTRNTUCP-ZDUSSCGKSA-N 1 0 357.414 2.561 20 5 FFBDRO CCNC(=O)[C@@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C(C)C ZINC000293229710 511889320 /nfs/dbraw/zinc/88/93/20/511889320.db2.gz KQGMRQOYQKOWFI-KRWDZBQOSA-N 1 0 360.414 2.543 20 5 FFBDRO C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cn2)CC[N@@H+]1Cc1ccccc1 ZINC000366199336 511895820 /nfs/dbraw/zinc/89/58/20/511895820.db2.gz GKZBWHACVKFNKU-ZBFHGGJFSA-N 1 0 354.410 2.773 20 5 FFBDRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000366199403 511896215 /nfs/dbraw/zinc/89/62/15/511896215.db2.gz GPNDTAQHYHAUQV-AWEZNQCLSA-N 1 0 354.410 2.945 20 5 FFBDRO C[C@H]([NH2+]CCCN1C(=O)NC2(CCCCC2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000366285646 511940006 /nfs/dbraw/zinc/94/00/06/511940006.db2.gz OZWBEHNUQNIDKN-AWEZNQCLSA-N 1 0 374.441 2.890 20 5 FFBDRO C[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@@]2(CCCOC2)O1 ZINC000366484458 512048025 /nfs/dbraw/zinc/04/80/25/512048025.db2.gz JDSNXHZXPBWAAI-YVEFUNNKSA-N 1 0 372.368 2.966 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCO[C@@]4(CCCOC4)C3)o2)c1 ZINC000285274006 512060405 /nfs/dbraw/zinc/06/04/05/512060405.db2.gz IWHBHCRDXPORGI-IBGZPJMESA-N 1 0 373.409 2.674 20 5 FFBDRO CCOC1CC2(C1)CC[N@@H+]([C@H]1CCN(c3cccc([N+](=O)[O-])c3)C1=O)C2 ZINC000375767838 512496407 /nfs/dbraw/zinc/49/64/07/512496407.db2.gz JUAUJUPYGOPRLK-HFCFLWKCSA-N 1 0 359.426 2.591 20 5 FFBDRO Cc1cc(N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000367805605 512670479 /nfs/dbraw/zinc/67/04/79/512670479.db2.gz XOTPDWPHZYLQKW-KRWDZBQOSA-N 1 0 369.469 2.668 20 5 FFBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000367845092 512687227 /nfs/dbraw/zinc/68/72/27/512687227.db2.gz ZXYDEXHBLYKKKS-DGCLKSJQSA-N 1 0 369.368 2.895 20 5 FFBDRO O=C(CC[NH2+][C@@]1(CO)CCCc2ccccc21)Nc1ccccc1[N+](=O)[O-] ZINC000411679644 512754437 /nfs/dbraw/zinc/75/44/37/512754437.db2.gz VUVMHVBZNXCWLT-HXUWFJFHSA-N 1 0 369.421 2.737 20 5 FFBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000376328385 512770239 /nfs/dbraw/zinc/77/02/39/512770239.db2.gz RWNPPQKYHJZSSZ-MRXNPFEDSA-N 1 0 360.458 2.796 20 5 FFBDRO NC(=O)c1ccc(C[NH2+][C@@H](c2ccccc2)[C@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000378529116 512809012 /nfs/dbraw/zinc/80/90/12/512809012.db2.gz UDRBQJUCUFCFIY-WMZOPIPTSA-N 1 0 355.394 2.561 20 5 FFBDRO Cc1cc(S(=O)(=O)N2CCCc3cc(C[NH3+])ccc32)ccc1[N+](=O)[O-] ZINC000374401614 512815613 /nfs/dbraw/zinc/81/56/13/512815613.db2.gz RDVFKPKONWEJJY-UHFFFAOYSA-N 1 0 361.423 2.503 20 5 FFBDRO CC(C)C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1cnn(C)c1 ZINC000411812996 512826601 /nfs/dbraw/zinc/82/66/01/512826601.db2.gz BOCCGLINQBYNKA-UHFFFAOYSA-N 1 0 359.430 2.815 20 5 FFBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[NH+]2CCC1CC2 ZINC000370267828 512849865 /nfs/dbraw/zinc/84/98/65/512849865.db2.gz UIWHLMJVOKPCAN-UHFFFAOYSA-N 1 0 368.231 2.586 20 5 FFBDRO CO[C@H]1c2ccccc2C[C@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000411891192 512863027 /nfs/dbraw/zinc/86/30/27/512863027.db2.gz GJVDYRQQQZGTQK-APWZRJJASA-N 1 0 355.394 2.825 20 5 FFBDRO CCc1nn(C)c(N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000381013581 512874303 /nfs/dbraw/zinc/87/43/03/512874303.db2.gz PYPMNWCQMZQPGN-IAGOWNOFSA-N 1 0 369.469 2.849 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+]C1(CO)C2CC3CC(C2)CC1C3 ZINC000412004654 512908952 /nfs/dbraw/zinc/90/89/52/512908952.db2.gz SNQASIMXZCTVCY-UHFFFAOYSA-N 1 0 373.453 2.619 20 5 FFBDRO O=[N+]([O-])c1cc(C[NH2+]C2(CO)C3CC4CC(C3)CC2C4)c2c(c1)COCO2 ZINC000412014192 512911748 /nfs/dbraw/zinc/91/17/48/512911748.db2.gz PWKLURURNXBYEE-UHFFFAOYSA-N 1 0 374.437 2.738 20 5 FFBDRO CCn1nc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c2ccccc21 ZINC000376650607 512919708 /nfs/dbraw/zinc/91/97/08/512919708.db2.gz GVCYEJXLSFVLFE-UHFFFAOYSA-N 1 0 354.414 2.998 20 5 FFBDRO Cn1cc([C@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)c2ccccc2)cn1 ZINC000374623305 512922417 /nfs/dbraw/zinc/92/24/17/512922417.db2.gz NEVCNEUFXSAFGZ-RBUKOAKNSA-N 1 0 352.394 2.741 20 5 FFBDRO C[C@@H]1C[C@H](Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[N@@H+]1Cc1ccccc1 ZINC000397984488 512952142 /nfs/dbraw/zinc/95/21/42/512952142.db2.gz NSYJWHNOGIFWFJ-HIFRSBDPSA-N 1 0 351.410 2.968 20 5 FFBDRO C[C@]1(NC(=O)c2cccc([N+](=O)[O-])c2N)CC[N@H+](Cc2ccccc2)C1 ZINC000406030312 512973721 /nfs/dbraw/zinc/97/37/21/512973721.db2.gz JUPMPPWNYQSRLS-IBGZPJMESA-N 1 0 354.410 2.571 20 5 FFBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000412151647 512978115 /nfs/dbraw/zinc/97/81/15/512978115.db2.gz DFQKEOUPQASMBC-ZYSHUDEJSA-N 1 0 357.454 2.889 20 5 FFBDRO O=C(CCC(=O)N1CCC[N@H+](CC2CCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000412312733 513035665 /nfs/dbraw/zinc/03/56/65/513035665.db2.gz HYNDGIRTZMQFCA-UHFFFAOYSA-N 1 0 373.453 2.892 20 5 FFBDRO [NH3+]C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)CCO1 ZINC000376941721 513059618 /nfs/dbraw/zinc/05/96/18/513059618.db2.gz SFWDQBXLFVBXGT-AWEZNQCLSA-N 1 0 373.434 2.546 20 5 FFBDRO CCOc1cc(NC(=O)N[C@@H]2CCCC[C@H]2[NH3+])c([N+](=O)[O-])cc1OCC ZINC000424425409 513138627 /nfs/dbraw/zinc/13/86/27/513138627.db2.gz YWFNQWGTJFZSTD-VXGBXAGGSA-N 1 0 366.418 2.784 20 5 FFBDRO CC[NH+](CC)[C@@H](CNC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-])CC(C)C ZINC000433745418 513140716 /nfs/dbraw/zinc/14/07/16/513140716.db2.gz QRWSTCAAHBKGHK-CYBMUJFWSA-N 1 0 353.467 2.928 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N3CCC[C@H](C[NH3+])C3)cc2[N+](=O)[O-])C1 ZINC000428607791 513141600 /nfs/dbraw/zinc/14/16/00/513141600.db2.gz SEMGUPQUUIBCAT-HUUCEWRRSA-N 1 0 360.458 2.642 20 5 FFBDRO Cn1c(Sc2nccc3c2cccc3[N+](=O)[O-])nnc1C1CC[NH2+]CC1 ZINC000450342193 513150804 /nfs/dbraw/zinc/15/08/04/513150804.db2.gz QRYAWICPSVREEJ-UHFFFAOYSA-N 1 0 370.438 2.890 20 5 FFBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000417716815 513177996 /nfs/dbraw/zinc/17/79/96/513177996.db2.gz JZCVYRNTKHLLHY-ZWKOTPCHSA-N 1 0 360.458 2.605 20 5 FFBDRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000417758535 513198069 /nfs/dbraw/zinc/19/80/69/513198069.db2.gz CIHBKMJBMVPUBY-KRWDZBQOSA-N 1 0 356.426 2.699 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N3CCC(C[NH3+])CC3)cc2[N+](=O)[O-])C1 ZINC000428813400 513199114 /nfs/dbraw/zinc/19/91/14/513199114.db2.gz ARCBLIWQHLQBJR-CQSZACIVSA-N 1 0 360.458 2.642 20 5 FFBDRO [NH3+]C1(CNC(=O)NCCc2ccccc2[N+](=O)[O-])C2CC3CC(C2)CC1C3 ZINC000417767320 513199746 /nfs/dbraw/zinc/19/97/46/513199746.db2.gz QIIUKQQJBYREGX-UHFFFAOYSA-N 1 0 372.469 2.590 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H](SC)[C@@H]([NH+](C)C)C1 ZINC000439885105 513204080 /nfs/dbraw/zinc/20/40/80/513204080.db2.gz BSPZMHPIFIVHFT-DZGCQCFKSA-N 1 0 368.459 2.503 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCC[NH+]1CCC(C)CC1 ZINC000439888642 513204595 /nfs/dbraw/zinc/20/45/95/513204595.db2.gz MAPDOXIDMNXOGU-UHFFFAOYSA-N 1 0 350.419 2.847 20 5 FFBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C[C@H]1C ZINC000450500783 513223578 /nfs/dbraw/zinc/22/35/78/513223578.db2.gz OEASKYBKAHKMOK-OLZOCXBDSA-N 1 0 357.414 2.540 20 5 FFBDRO Cc1nc(NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000450537435 513241388 /nfs/dbraw/zinc/24/13/88/513241388.db2.gz DKNIMFYMRNVJJY-QGZVFWFLSA-N 1 0 355.442 2.829 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)cc2[N+](=O)[O-])C1 ZINC000446376949 513249188 /nfs/dbraw/zinc/24/91/88/513249188.db2.gz NUVCNIHJRYDCIF-OIISXLGYSA-N 1 0 372.469 2.798 20 5 FFBDRO C[C@H](c1ccccc1)[C@H](O)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000450566530 513253634 /nfs/dbraw/zinc/25/36/34/513253634.db2.gz KXYFLUQDTWFPPN-QGPMSJSTSA-N 1 0 356.426 2.641 20 5 FFBDRO CCNc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccco2)cc1[N+](=O)[O-] ZINC000446432562 513260754 /nfs/dbraw/zinc/26/07/54/513260754.db2.gz JOFUXTPPNMFQTO-UHFFFAOYSA-N 1 0 360.414 2.824 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000421515069 513291984 /nfs/dbraw/zinc/29/19/84/513291984.db2.gz AGJAHRDFGBIHRD-QILLFSRXSA-N 1 0 361.442 2.535 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000421515071 513292343 /nfs/dbraw/zinc/29/23/43/513292343.db2.gz AGJAHRDFGBIHRD-YXJHDRRASA-N 1 0 361.442 2.535 20 5 FFBDRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000417995084 513322975 /nfs/dbraw/zinc/32/29/75/513322975.db2.gz RIZBMDRDJBZLFG-FZMZJTMJSA-N 1 0 354.838 2.702 20 5 FFBDRO CCC1(CC)[C@H]([NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@H](C)[C@@H]1OC ZINC000429292040 513331106 /nfs/dbraw/zinc/33/11/06/513331106.db2.gz HTSIRZOWCTYXOO-VHSSKADRSA-N 1 0 363.458 2.987 20 5 FFBDRO C[C@H]1CN(c2cccc(C(N)=O)c2[N+](=O)[O-])CC[N@H+](Cc2ccccc2)C1 ZINC000450808374 513351638 /nfs/dbraw/zinc/35/16/38/513351638.db2.gz IHZRKFKSUDASSV-OAHLLOKOSA-N 1 0 368.437 2.652 20 5 FFBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425003994 513364348 /nfs/dbraw/zinc/36/43/48/513364348.db2.gz MULJEIJCCBKNJP-AZUAARDMSA-N 1 0 365.433 2.870 20 5 FFBDRO Cc1c(NC(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)cc(Br)cc1[N+](=O)[O-] ZINC000415653744 513364476 /nfs/dbraw/zinc/36/44/76/513364476.db2.gz ILRZQPYGQAPEHT-KWQFWETISA-N 1 0 371.235 2.867 20 5 FFBDRO COC(=O)[C@H]1CC[N@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])[C@H]1C(C)C ZINC000429396426 513364395 /nfs/dbraw/zinc/36/43/95/513364395.db2.gz WMKFHDJMMAXRGZ-YOEHRIQHSA-N 1 0 366.414 2.502 20 5 FFBDRO Cc1c(CNC(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000418083824 513365448 /nfs/dbraw/zinc/36/54/48/513365448.db2.gz TVIHATMEBZZBJP-DLBZAZTESA-N 1 0 354.410 2.540 20 5 FFBDRO CC(C)[C@](C)(C[NH3+])NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415702224 513388087 /nfs/dbraw/zinc/38/80/87/513388087.db2.gz PIVVOCCJYGWIHE-ZDUSSCGKSA-N 1 0 359.224 2.852 20 5 FFBDRO CC(C)(C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)C1(O)CCOCC1 ZINC000418138815 513388328 /nfs/dbraw/zinc/38/83/28/513388328.db2.gz VDFCJONAJAFCHY-UHFFFAOYSA-N 1 0 374.384 2.854 20 5 FFBDRO C[C@H]1CCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000415708082 513392153 /nfs/dbraw/zinc/39/21/53/513392153.db2.gz WSKZBGBMNULCIO-VHSXEESVSA-N 1 0 371.235 2.806 20 5 FFBDRO Cc1cc(N[C@H]2CCO[C@@H](c3nccn3C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000450947091 513419662 /nfs/dbraw/zinc/41/96/62/513419662.db2.gz AZJSZMFNLJGMHB-SCLBCKFNSA-N 1 0 367.409 2.939 20 5 FFBDRO CC(C)(CO)[C@@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000429725978 513453343 /nfs/dbraw/zinc/45/33/43/513453343.db2.gz ZQUOKHNSQMIZIS-LPHOPBHVSA-N 1 0 374.437 2.684 20 5 FFBDRO CC(C)(C)[C@H]([NH3+])C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000429796871 513467871 /nfs/dbraw/zinc/46/78/71/513467871.db2.gz YWOBRTBNOGMASJ-GFCCVEGCSA-N 1 0 362.352 2.515 20 5 FFBDRO NC(=O)c1ccnc(S[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000425283169 513490405 /nfs/dbraw/zinc/49/04/05/513490405.db2.gz OGVXPQWYJCLLNP-CQSZACIVSA-N 1 0 372.450 2.845 20 5 FFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]Cc2nccn2CC(F)(F)F)n1 ZINC000447531439 513499359 /nfs/dbraw/zinc/49/93/59/513499359.db2.gz RDCHKONOKCUTQC-NEPJUHHUSA-N 1 0 372.351 2.824 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]Cc2cccc(-n3cncn3)c2)n1 ZINC000447541133 513502650 /nfs/dbraw/zinc/50/26/50/513502650.db2.gz LOONWPNDXSHWMC-DLBZAZTESA-N 1 0 367.413 2.646 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@@H](CO)Cc2ccccc2)n1 ZINC000447545129 513503231 /nfs/dbraw/zinc/50/32/31/513503231.db2.gz XIRMNLWJYJRBNI-OKZBNKHCSA-N 1 0 358.442 2.716 20 5 FFBDRO Cc1ccccc1C[C@H](CO)[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447592671 513516889 /nfs/dbraw/zinc/51/68/89/513516889.db2.gz MZIYYGISWNNJNJ-SQNIBIBYSA-N 1 0 358.442 2.777 20 5 FFBDRO Cc1ccc(C[C@H](CO)[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000447597645 513518343 /nfs/dbraw/zinc/51/83/43/513518343.db2.gz SWRMRGPKEYWYHF-SQNIBIBYSA-N 1 0 358.442 2.777 20 5 FFBDRO COc1ccccc1[C@@H](CNc1nc2cc([N+](=O)[O-])ccc2[nH]1)[NH+](C)C ZINC000447677682 513539854 /nfs/dbraw/zinc/53/98/54/513539854.db2.gz VTPURMDCKXTQTB-MRXNPFEDSA-N 1 0 355.398 2.616 20 5 FFBDRO Cc1ccc([C@@H]2CCC[C@H]2[N@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000441358267 513551570 /nfs/dbraw/zinc/55/15/70/513551570.db2.gz VBPIHOAOPHWRNW-CEXWTWQISA-N 1 0 358.442 2.729 20 5 FFBDRO Cc1c(NC(=O)NC[C@@H]2CCC[N@H+]2C)cc(Br)cc1[N+](=O)[O-] ZINC000435329468 513557731 /nfs/dbraw/zinc/55/77/31/513557731.db2.gz PQOOLYBUZURWFP-NSHDSACASA-N 1 0 371.235 2.881 20 5 FFBDRO [NH3+]C[C@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CCO1 ZINC000435381313 513570930 /nfs/dbraw/zinc/57/09/30/513570930.db2.gz SPBXEFYXRWINMY-ZDUSSCGKSA-N 1 0 351.790 2.668 20 5 FFBDRO C[NH2+]C[C@H]1CCCN(Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C1 ZINC000435396259 513573298 /nfs/dbraw/zinc/57/32/98/513573298.db2.gz VRMBCLNMSYPHOW-GFCCVEGCSA-N 1 0 373.400 2.679 20 5 FFBDRO COCCN(Cc1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CCO[C@@H]1C ZINC000425467613 513581815 /nfs/dbraw/zinc/58/18/15/513581815.db2.gz BTVHMGLPICWUMY-BXUZGUMPSA-N 1 0 373.247 2.983 20 5 FFBDRO CCC[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2OC)CC[N@@H+]1CCOC ZINC000430202444 513586343 /nfs/dbraw/zinc/58/63/43/513586343.db2.gz CTDNGRFRDJNTRA-KRWDZBQOSA-N 1 0 351.447 2.536 20 5 FFBDRO NC(=O)c1cccc(C[N@H+](CCOc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000451203386 513586733 /nfs/dbraw/zinc/58/67/33/513586733.db2.gz PUMPROWMVMXAGP-UHFFFAOYSA-N 1 0 355.394 2.737 20 5 FFBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000418641088 513588149 /nfs/dbraw/zinc/58/81/49/513588149.db2.gz RTKCEDBLVRGHFH-KRWDZBQOSA-N 1 0 354.410 2.623 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1CN1C[C@@H](SC)[C@H]([NH+]2CCCC2)C1 ZINC000430220282 513592526 /nfs/dbraw/zinc/59/25/26/513592526.db2.gz PITGEFIDTOBGFB-NVXWUHKLSA-N 1 0 351.472 2.615 20 5 FFBDRO C[N@H+](CCCN1C(=O)c2ccccc2C1=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000425542412 513629254 /nfs/dbraw/zinc/62/92/54/513629254.db2.gz NPQRCTXPUOHCPC-UHFFFAOYSA-N 1 0 367.405 2.755 20 5 FFBDRO CN(C(=O)C[N@@H+]1CC2(CCC2)[C@H]1C1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000425558453 513639625 /nfs/dbraw/zinc/63/96/25/513639625.db2.gz XQPKCVCLJFOORZ-LJQANCHMSA-N 1 0 373.453 2.839 20 5 FFBDRO Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2C)n(C2CC[NH+](C)CC2)n1 ZINC000430440452 513653342 /nfs/dbraw/zinc/65/33/42/513653342.db2.gz STWYBWKHEAAHGN-UHFFFAOYSA-N 1 0 357.414 2.927 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3C[C@H](O)C[C@@H]3[C@@H]3CCCOC3)co2)cc1 ZINC000451302937 513663820 /nfs/dbraw/zinc/66/38/20/513663820.db2.gz LNBRRMVPEVDKEE-ZTFGCOKTSA-N 1 0 373.409 2.612 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H]1COc1ccccc1 ZINC000451310743 513667904 /nfs/dbraw/zinc/66/79/04/513667904.db2.gz GMYZLQOMHCPPQX-IRXDYDNUSA-N 1 0 372.421 2.878 20 5 FFBDRO O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)NC1CC([NH+]2CCCCC2)C1 ZINC000451364645 513704216 /nfs/dbraw/zinc/70/42/16/513704216.db2.gz VGICUBJDLSWUSM-UHFFFAOYSA-N 1 0 359.426 2.691 20 5 FFBDRO COc1cc(NC(=O)c2csc([N+](=O)[O-])c2)ccc1OCC[NH+](C)C ZINC000416337752 513718832 /nfs/dbraw/zinc/71/88/32/513718832.db2.gz AXMDQIKTHLFUDG-UHFFFAOYSA-N 1 0 365.411 2.858 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000451414732 513734181 /nfs/dbraw/zinc/73/41/81/513734181.db2.gz IVTUBVANNDYIPN-CGTJXYLNSA-N 1 0 361.442 2.857 20 5 FFBDRO COC(=O)[C@H]1CSCCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000413616103 513736808 /nfs/dbraw/zinc/73/68/08/513736808.db2.gz YBQPABZYYZKKGG-GFCCVEGCSA-N 1 0 361.423 2.794 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000451417259 513738561 /nfs/dbraw/zinc/73/85/61/513738561.db2.gz KYOCQLBIZNWGDC-CGTJXYLNSA-N 1 0 361.442 2.857 20 5 FFBDRO CC[NH+]1CCC(CCNS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)CC1 ZINC000416405520 513754820 /nfs/dbraw/zinc/75/48/20/513754820.db2.gz CBXOUEHTLWTABW-UHFFFAOYSA-N 1 0 369.487 2.612 20 5 FFBDRO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000430824358 513758675 /nfs/dbraw/zinc/75/86/75/513758675.db2.gz WKUZRPNBHDXGQU-YJBOKZPZSA-N 1 0 363.458 2.990 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCSC[C@H]2C2CCC2)c1 ZINC000419363172 513788621 /nfs/dbraw/zinc/78/86/21/513788621.db2.gz OPPSIOBOAPLGPR-RDJZCZTQSA-N 1 0 352.456 2.552 20 5 FFBDRO CC1CC[NH+](CCCNC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000448597260 513800023 /nfs/dbraw/zinc/80/00/23/513800023.db2.gz JZMCGLFSIJDWOA-UHFFFAOYSA-N 1 0 361.442 2.796 20 5 FFBDRO COc1ccccc1CCNC(=O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000436285158 513817086 /nfs/dbraw/zinc/81/70/86/513817086.db2.gz OPHWOQMJDKNINZ-HNNXBMFYSA-N 1 0 371.437 2.921 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[NH2+]CC12CCCCC2 ZINC000431067508 513818760 /nfs/dbraw/zinc/81/87/60/513818760.db2.gz FIPXPDPFWDLOKU-UHFFFAOYSA-N 1 0 360.458 2.840 20 5 FFBDRO CCOCCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451549683 513825881 /nfs/dbraw/zinc/82/58/81/513825881.db2.gz QCNRZUDXXDSVGS-WBVHZDCISA-N 1 0 363.458 2.706 20 5 FFBDRO C[C@@H](CNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](C)C1 ZINC000448703567 513853985 /nfs/dbraw/zinc/85/39/85/513853985.db2.gz BYEXIWITJSVDGP-GJZGRUSLSA-N 1 0 361.442 2.794 20 5 FFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(OCC[NH+](C)C)cc1F ZINC000413904083 513873107 /nfs/dbraw/zinc/87/31/07/513873107.db2.gz SPDKEKQWFHAREL-UHFFFAOYSA-N 1 0 362.361 2.630 20 5 FFBDRO C[N@H+](CCNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000448776476 513892979 /nfs/dbraw/zinc/89/29/79/513892979.db2.gz GTMXVBMSOFKUSD-UHFFFAOYSA-N 1 0 369.421 2.806 20 5 FFBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000448780732 513896321 /nfs/dbraw/zinc/89/63/21/513896321.db2.gz KWJHYYACJWRNQQ-HUUCEWRRSA-N 1 0 361.442 2.794 20 5 FFBDRO CCC[C@@H](O)[C@@H](CO)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000419809125 513936724 /nfs/dbraw/zinc/93/67/24/513936724.db2.gz GIUCLCWENBYEOX-GDBMZVCRSA-N 1 0 350.440 2.935 20 5 FFBDRO CCN1CC[NH+](C[C@@H](C)CNc2ccc([N+](=O)[O-])cc2OC(F)F)CC1 ZINC000443444984 513972663 /nfs/dbraw/zinc/97/26/63/513972663.db2.gz QFGIGPSBYPUVAF-ZDUSSCGKSA-N 1 0 372.416 2.882 20 5 FFBDRO O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000448923417 513972718 /nfs/dbraw/zinc/97/27/18/513972718.db2.gz FUIJROUCKZXKHO-HNNXBMFYSA-N 1 0 359.426 2.691 20 5 FFBDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448934254 513978656 /nfs/dbraw/zinc/97/86/56/513978656.db2.gz UPKHYVPYDRELBY-HUUCEWRRSA-N 1 0 371.441 2.773 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(Cn2cncn2)cc1 ZINC000449071552 514059966 /nfs/dbraw/zinc/05/99/66/514059966.db2.gz HXGOXLRVDLNHNF-HNNXBMFYSA-N 1 0 351.410 2.955 20 5 FFBDRO CCc1ccccc1[C@H]([NH3+])CNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000420283056 514072044 /nfs/dbraw/zinc/07/20/44/514072044.db2.gz SPZYVUDKWCOKSG-CQSZACIVSA-N 1 0 363.439 2.673 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](Cc1ccccc1)C(=O)N(C)C ZINC000449121173 514080281 /nfs/dbraw/zinc/08/02/81/514080281.db2.gz GHYYQLUAWMQHNZ-QAPCUYQASA-N 1 0 355.438 2.815 20 5 FFBDRO CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])ncn1 ZINC000449125364 514081895 /nfs/dbraw/zinc/08/18/95/514081895.db2.gz RWOPJXHIJQSLMM-ZBFHGGJFSA-N 1 0 370.457 2.616 20 5 FFBDRO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000449189759 514106069 /nfs/dbraw/zinc/10/60/69/514106069.db2.gz MOLKAHBWUOWZAG-LSDHHAIUSA-N 1 0 358.442 2.631 20 5 FFBDRO [NH3+][C@H]1CCCO[C@H]1C1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000420386027 514119890 /nfs/dbraw/zinc/11/98/90/514119890.db2.gz UILVMZZKRCRUEF-RDJZCZTQSA-N 1 0 353.850 2.967 20 5 FFBDRO Cc1c(NC(=O)[C@H](C)N2C[C@@H]([NH3+])Cc3ccccc32)cccc1[N+](=O)[O-] ZINC000420396796 514130348 /nfs/dbraw/zinc/13/03/48/514130348.db2.gz DSVFOMSRYQORAV-ZFWWWQNUSA-N 1 0 354.410 2.620 20 5 FFBDRO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCN(CC(F)(F)F)CC1 ZINC000452027477 514144228 /nfs/dbraw/zinc/14/42/28/514144228.db2.gz ABLYPZMYSLEKHO-UHFFFAOYSA-N 1 0 371.363 2.930 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCN1C(=O)c2ccccc2C1=O ZINC000449323160 514166411 /nfs/dbraw/zinc/16/64/11/514166411.db2.gz SGXMTCZNKPJHDD-AWEZNQCLSA-N 1 0 367.405 2.802 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCn1cc(Br)cn1 ZINC000449323560 514166605 /nfs/dbraw/zinc/16/66/05/514166605.db2.gz WCLQDZVCYKIEDH-LLVKDONJSA-N 1 0 353.220 2.775 20 5 FFBDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000423561889 514170408 /nfs/dbraw/zinc/17/04/08/514170408.db2.gz WEMMWRVAPWACQJ-ZBEGNZNMSA-N 1 0 353.397 2.548 20 5 FFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](CO)c1ccc(F)cc1 ZINC000449380239 514187711 /nfs/dbraw/zinc/18/77/11/514187711.db2.gz MIGMHSJNBFDAFL-YVEFUNNKSA-N 1 0 361.373 2.774 20 5 FFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@@H]2CCCN2CCCO)o1 ZINC000449384823 514189587 /nfs/dbraw/zinc/18/95/87/514189587.db2.gz CTVVXXLAWMMDQJ-HNNXBMFYSA-N 1 0 359.426 2.791 20 5 FFBDRO COC(=O)[C@@H]1CSCC[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000414580272 514191669 /nfs/dbraw/zinc/19/16/69/514191669.db2.gz JPLRHBRIYBSMRA-NRUITVPNSA-N 1 0 350.440 2.836 20 5 FFBDRO C[C@H]1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000423687633 514201279 /nfs/dbraw/zinc/20/12/79/514201279.db2.gz VVLLBMPCYRNMTH-JQWIXIFHSA-N 1 0 357.863 2.926 20 5 FFBDRO COc1ccc(CNC(=O)N(CCC[NH3+])CC2CCCC2)cc1[N+](=O)[O-] ZINC000417181915 514216979 /nfs/dbraw/zinc/21/69/79/514216979.db2.gz INOOENNQCPUHJN-UHFFFAOYSA-N 1 0 364.446 2.654 20 5 FFBDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000423747243 514217553 /nfs/dbraw/zinc/21/75/53/514217553.db2.gz QERLGJMEIPHYKG-PWSUYJOCSA-N 1 0 371.387 2.817 20 5 FFBDRO CC(C)[C@H](CO)[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)C(C)C ZINC000449504576 514231378 /nfs/dbraw/zinc/23/13/78/514231378.db2.gz AASFCZJKLNWWAT-IRXDYDNUSA-N 1 0 352.431 2.840 20 5 FFBDRO COc1cc(C[N@@H+]2CC[C@@H]3C[C@@H](O)CC[C@H]3C2)c([N+](=O)[O-])cc1OC ZINC000449550063 514250708 /nfs/dbraw/zinc/25/07/08/514250708.db2.gz BXERSONCJLPBDB-IPYPFGDCSA-N 1 0 350.415 2.595 20 5 FFBDRO O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000437856672 514253922 /nfs/dbraw/zinc/25/39/22/514253922.db2.gz YGFRQINPSNYTGC-OAHLLOKOSA-N 1 0 371.441 2.998 20 5 FFBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@H](C)[C@@H](C)[NH3+])cc1 ZINC000449584172 514263205 /nfs/dbraw/zinc/26/32/05/514263205.db2.gz CLTNWWJKOXXCBH-VXGBXAGGSA-N 1 0 359.382 2.861 20 5 FFBDRO COCc1nc2n(n1)C[C@@H]([NH2+][C@@H]1CCCCc3ccc([N+](=O)[O-])cc31)CC2 ZINC000417313444 514289025 /nfs/dbraw/zinc/28/90/25/514289025.db2.gz VZJDMBHSIUVPFX-WMLDXEAASA-N 1 0 371.441 2.705 20 5 FFBDRO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000423938081 514296450 /nfs/dbraw/zinc/29/64/50/514296450.db2.gz HMDJLDDBOSZLED-WMLDXEAASA-N 1 0 358.442 2.773 20 5 FFBDRO C[N@@H+](Cc1cc(F)cc(F)c1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000444697799 514297865 /nfs/dbraw/zinc/29/78/65/514297865.db2.gz ZAVWZGNFQACLAW-INIZCTEOSA-N 1 0 352.337 2.745 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000424021037 514344947 /nfs/dbraw/zinc/34/49/47/514344947.db2.gz NHSRNXHAKHJFIU-DLBZAZTESA-N 1 0 357.385 2.918 20 5 FFBDRO C[C@@H]1CN(CCO)CC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000449788681 514353201 /nfs/dbraw/zinc/35/32/01/514353201.db2.gz YLCVBJZNTUWHOG-CQSZACIVSA-N 1 0 361.467 2.822 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000444909729 514365879 /nfs/dbraw/zinc/36/58/79/514365879.db2.gz ZIDPMVZZIGIGJF-STQMWFEESA-N 1 0 350.419 2.988 20 5 FFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[NH+](C[C@H]2C[C@@H](O)C2)CC1 ZINC000420906430 514367912 /nfs/dbraw/zinc/36/79/12/514367912.db2.gz STDMACIXKTWZHS-BJHJDKERSA-N 1 0 359.348 2.507 20 5 FFBDRO C[C@H]1CCCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)[C@@H]1C[NH3+] ZINC000414954200 514374440 /nfs/dbraw/zinc/37/44/40/514374440.db2.gz SJIARNNCLZDHRD-JOYOIKCWSA-N 1 0 358.345 2.787 20 5 FFBDRO O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000449969565 514448052 /nfs/dbraw/zinc/44/80/52/514448052.db2.gz RPQIBWFKHWITQN-CQSZACIVSA-N 1 0 369.425 2.543 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C[C@H]1C ZINC000449971137 514448157 /nfs/dbraw/zinc/44/81/57/514448157.db2.gz JSYSWFMKGGLGER-ZBFHGGJFSA-N 1 0 371.441 2.725 20 5 FFBDRO Cc1nc([N+](=O)[O-])c(-c2noc(-c3cccc(C[NH+]4CCCC4)c3)n2)n1C ZINC000445622178 514500535 /nfs/dbraw/zinc/50/05/35/514500535.db2.gz WYOFOCQPUDUAIU-UHFFFAOYSA-N 1 0 368.397 2.950 20 5 FFBDRO C[N@H+](CC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)[C@@H]1CCSC1 ZINC000452863715 514523254 /nfs/dbraw/zinc/52/32/54/514523254.db2.gz VXOXRWBQHVYDDD-DOTOQJQBSA-N 1 0 363.483 2.738 20 5 FFBDRO CC[C@@H]([NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccsc1 ZINC000453086503 514540549 /nfs/dbraw/zinc/54/05/49/514540549.db2.gz LVPLMBSKXZQXBX-OAHLLOKOSA-N 1 0 369.468 2.676 20 5 FFBDRO CN(C(=O)c1ccc([N+](=O)[O-])n1C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470675937 514569678 /nfs/dbraw/zinc/56/96/78/514569678.db2.gz VVPICTIVNRTSAV-INIZCTEOSA-N 1 0 356.426 2.670 20 5 FFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCCN1CCO ZINC000453270275 514584305 /nfs/dbraw/zinc/58/43/05/514584305.db2.gz SDXSJQQYCZXBKK-HZPDHXFCSA-N 1 0 367.515 2.902 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)NCC[C@H]2CCC[N@H+](C)C2)cc1SC ZINC000458157609 514589231 /nfs/dbraw/zinc/58/92/31/514589231.db2.gz CTJWHIUHRBTCMU-GFCCVEGCSA-N 1 0 367.471 2.787 20 5 FFBDRO C[NH+](C)CCOc1cc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)ccn1 ZINC000497701127 514603127 /nfs/dbraw/zinc/60/31/27/514603127.db2.gz IBGRBQVYFMACJG-UHFFFAOYSA-N 1 0 370.365 2.929 20 5 FFBDRO CN(C(=O)Cc1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475307868 514613141 /nfs/dbraw/zinc/61/31/41/514613141.db2.gz IGHCWKAVUHFAGQ-LJQANCHMSA-N 1 0 353.422 2.870 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]CCN2CCC(O)CC2)c2ccccc2)c1 ZINC000453379608 514614140 /nfs/dbraw/zinc/61/41/40/514614140.db2.gz QUUUFMUAFFLRJH-HXUWFJFHSA-N 1 0 355.438 2.731 20 5 FFBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000461634260 514677704 /nfs/dbraw/zinc/67/77/04/514677704.db2.gz VYWRJUDQVFYUND-CQSZACIVSA-N 1 0 359.430 2.631 20 5 FFBDRO COc1cc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)ccc1[N+](=O)[O-] ZINC000489140996 514726313 /nfs/dbraw/zinc/72/63/13/514726313.db2.gz REJTYNGNMXVTFG-CQSZACIVSA-N 1 0 357.414 2.521 20 5 FFBDRO Cc1cc(NC[C@H](C)N2CC[NH+](C)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461783347 514735266 /nfs/dbraw/zinc/73/52/66/514735266.db2.gz DUWFZAHZATXXDT-LBPRGKRZSA-N 1 0 360.380 2.970 20 5 FFBDRO COc1cc(C[NH2+]C[C@@H]2CC[C@H](C)O2)c([N+](=O)[O-])cc1OCC(F)F ZINC000453633214 514740843 /nfs/dbraw/zinc/74/08/43/514740843.db2.gz RFYIIXNQFSGAFO-JQWIXIFHSA-N 1 0 360.357 2.904 20 5 FFBDRO COC(=O)COc1ccc(C[N@H+](C)CCc2cccs2)cc1[N+](=O)[O-] ZINC000475708639 514772206 /nfs/dbraw/zinc/77/22/06/514772206.db2.gz GXDSBJDGVJMLLY-UHFFFAOYSA-N 1 0 364.423 2.883 20 5 FFBDRO Cc1cc(N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461948223 514800892 /nfs/dbraw/zinc/80/08/92/514800892.db2.gz MHGQEEDSDGGBPY-GJZGRUSLSA-N 1 0 359.348 2.831 20 5 FFBDRO Cc1cc(NCCC[N@@H+]2CCC[C@H]2C(N)=O)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461965811 514808335 /nfs/dbraw/zinc/80/83/35/514808335.db2.gz NWXVXXNPLWQGKW-ZDUSSCGKSA-N 1 0 374.363 2.674 20 5 FFBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000467018945 514865959 /nfs/dbraw/zinc/86/59/59/514865959.db2.gz QXCAQBIOZZFGKK-NHYWBVRUSA-N 1 0 372.450 2.931 20 5 FFBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000508763562 514888603 /nfs/dbraw/zinc/88/86/03/514888603.db2.gz IDRZQGIRUWMXME-BZUAXINKSA-N 1 0 362.474 2.879 20 5 FFBDRO COc1cc(C(=O)N[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)cc([N+](=O)[O-])c1C ZINC000480581399 515006550 /nfs/dbraw/zinc/00/65/50/515006550.db2.gz BPVSHUCPLSRDOM-SJORKVTESA-N 1 0 369.421 2.739 20 5 FFBDRO CC(C)(C)C1=CC[N@H+](CCNC(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000485358980 515009196 /nfs/dbraw/zinc/00/91/96/515009196.db2.gz WWYSWZJPSHJPKL-UHFFFAOYSA-N 1 0 360.458 2.801 20 5 FFBDRO C[C@@H](CC[NH+](C)C)NC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000498648750 515010492 /nfs/dbraw/zinc/01/04/92/515010492.db2.gz KDVKYNYYNOFTSE-CABCVRRESA-N 1 0 362.474 2.901 20 5 FFBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000489977126 515054744 /nfs/dbraw/zinc/05/47/44/515054744.db2.gz DQZLDRMLMUXANS-NEPJUHHUSA-N 1 0 368.231 2.714 20 5 FFBDRO C[NH+](C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)C1 ZINC000462501506 515090394 /nfs/dbraw/zinc/09/03/94/515090394.db2.gz NMRWDIMMJFXXLO-INIZCTEOSA-N 1 0 356.426 2.957 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCCC[NH+](C(C)C)C(C)C)c1C ZINC000467789531 515119461 /nfs/dbraw/zinc/11/94/61/515119461.db2.gz ROGYGQHCGIRQQQ-UHFFFAOYSA-N 1 0 371.503 2.999 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCC[NH+](C(C)C)C(C)C ZINC000467795442 515122649 /nfs/dbraw/zinc/12/26/49/515122649.db2.gz DIQBJGOKRWQKAD-UHFFFAOYSA-N 1 0 357.476 2.690 20 5 FFBDRO Cc1ccc(C)c(S(=O)(=O)NCC(C)(C)[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000481027443 515177749 /nfs/dbraw/zinc/17/77/49/515177749.db2.gz VMBXKYVOCJQLRA-UHFFFAOYSA-N 1 0 369.487 2.754 20 5 FFBDRO Cc1ccc(S(=O)(=O)N(C)CC[NH+](C(C)C)C(C)C)cc1[N+](=O)[O-] ZINC000503969120 515185064 /nfs/dbraw/zinc/18/50/64/515185064.db2.gz NSWQYLYVNHRXGW-UHFFFAOYSA-N 1 0 357.476 2.643 20 5 FFBDRO CCC[NH+]1CCC(N(C)C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000485894134 515243841 /nfs/dbraw/zinc/24/38/41/515243841.db2.gz CFOBXSKKYNBCRY-UHFFFAOYSA-N 1 0 355.385 2.748 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)C[C@H]1C ZINC000481388073 515312015 /nfs/dbraw/zinc/31/20/15/515312015.db2.gz CNZRFEKFJSZRIW-CABCVRRESA-N 1 0 369.487 2.705 20 5 FFBDRO C[C@H]1COCCN1CC[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000491069542 515369269 /nfs/dbraw/zinc/36/92/69/515369269.db2.gz YEADQQSUPUSEQR-OXJNMPFZSA-N 1 0 355.438 2.995 20 5 FFBDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000472761963 515386318 /nfs/dbraw/zinc/38/63/18/515386318.db2.gz AAQNOMJXUMNHHX-MRXNPFEDSA-N 1 0 364.446 2.868 20 5 FFBDRO NC(=O)[C@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000477301953 515403970 /nfs/dbraw/zinc/40/39/70/515403970.db2.gz QTUULQFUOIEWBD-OAHLLOKOSA-N 1 0 351.765 2.746 20 5 FFBDRO NC(=O)[C@@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000477301952 515404647 /nfs/dbraw/zinc/40/46/47/515404647.db2.gz QTUULQFUOIEWBD-HNNXBMFYSA-N 1 0 351.765 2.746 20 5 FFBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000499670365 515405834 /nfs/dbraw/zinc/40/58/34/515405834.db2.gz QJEBOZBGKXSUGW-INIZCTEOSA-N 1 0 371.441 2.775 20 5 FFBDRO C[C@H](CC[NH3+])NC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000477340386 515418260 /nfs/dbraw/zinc/41/82/60/515418260.db2.gz SUMWRXKPGMFACG-CHWSQXEVSA-N 1 0 357.414 2.630 20 5 FFBDRO COCC[N@H+](C)CC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)c1ccccc1 ZINC000505053915 515437465 /nfs/dbraw/zinc/43/74/65/515437465.db2.gz JWLCKEVMPIBSJM-HNNXBMFYSA-N 1 0 361.398 2.627 20 5 FFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCC(=O)NCc1cccnc1 ZINC000468625483 515442683 /nfs/dbraw/zinc/44/26/83/515442683.db2.gz PUCLNPOUWNCLPV-XNTDXEJSSA-N 1 0 354.410 2.689 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000491890197 515481626 /nfs/dbraw/zinc/48/16/26/515481626.db2.gz KGMNWBWRNGPQBP-JLZZUVOBSA-N 1 0 353.850 2.932 20 5 FFBDRO CC(C)C[N@@H+]1CCO[C@H](CNc2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000486439926 515483186 /nfs/dbraw/zinc/48/31/86/515483186.db2.gz VIMMPLXQXQANTL-CYBMUJFWSA-N 1 0 359.373 2.965 20 5 FFBDRO CN(C(C)(C)C[NH+]1CCCCCC1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000492021221 515491335 /nfs/dbraw/zinc/49/13/35/515491335.db2.gz FNTOHKVBHOCVMK-UHFFFAOYSA-N 1 0 369.487 2.870 20 5 FFBDRO COc1cc(C[NH2+]CCc2nnc(C(C)C)s2)c([N+](=O)[O-])cc1OC ZINC000492278976 515522960 /nfs/dbraw/zinc/52/29/60/515522960.db2.gz YAWFVFRYMOBQBE-UHFFFAOYSA-N 1 0 366.443 2.919 20 5 FFBDRO Cc1c(Br)cc(C(=O)NCC[N@H+]2CC=CCC2)cc1[N+](=O)[O-] ZINC000477621222 515529541 /nfs/dbraw/zinc/52/95/41/515529541.db2.gz KONVGNKFUYBNCP-UHFFFAOYSA-N 1 0 368.231 2.657 20 5 FFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H](c1ccco1)N(C)C ZINC000499973418 515542218 /nfs/dbraw/zinc/54/22/18/515542218.db2.gz BZSXMPHKRGDWNA-CZUORRHYSA-N 1 0 360.414 2.797 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]C[C@H](CO)[C@@H]2CCOC2)c2ccccc2)c1 ZINC000482004366 515542527 /nfs/dbraw/zinc/54/25/27/515542527.db2.gz WHOBXYVIRNJELQ-QWFCFKBJSA-N 1 0 356.422 2.919 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]C[C@@H](CO)[C@H]2CCOC2)c2ccccc2)c1 ZINC000482004364 515543452 /nfs/dbraw/zinc/54/34/52/515543452.db2.gz WHOBXYVIRNJELQ-CMKODMSKSA-N 1 0 356.422 2.919 20 5 FFBDRO COc1cc(CN(C)CC[NH+]2CCCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000505613465 515610619 /nfs/dbraw/zinc/61/06/19/515610619.db2.gz YGGXCOWSENPRMO-UHFFFAOYSA-N 1 0 373.400 2.775 20 5 FFBDRO C[C@@H](CNC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)[N@H+](C)C1CC1 ZINC000454659712 515647058 /nfs/dbraw/zinc/64/70/58/515647058.db2.gz RPXDXEZGWYFQDH-HOCLYGCPSA-N 1 0 360.458 2.967 20 5 FFBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000454677836 515659997 /nfs/dbraw/zinc/65/99/97/515659997.db2.gz GSYVBMYKEZTMAD-ALKREAHSSA-N 1 0 372.469 2.967 20 5 FFBDRO O=[N+]([O-])c1ccn(CC[NH2+]C2(c3ccc(Cl)cc3)CCOCC2)n1 ZINC000478009880 515665812 /nfs/dbraw/zinc/66/58/12/515665812.db2.gz OMKPDQOQAKTYGR-UHFFFAOYSA-N 1 0 350.806 2.740 20 5 FFBDRO CCOc1cc(N2CC[C@H](OCC[NH+](CC)CC)C2)ccc1[N+](=O)[O-] ZINC000486965301 515700940 /nfs/dbraw/zinc/70/09/40/515700940.db2.gz IHMILFSTQBGRGQ-INIZCTEOSA-N 1 0 351.447 2.931 20 5 FFBDRO COc1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000494068633 515723737 /nfs/dbraw/zinc/72/37/37/515723737.db2.gz JAFNWAUNPSJCKU-RHSMWYFYSA-N 1 0 369.421 2.996 20 5 FFBDRO C[C@H]([NH2+][C@H]1CCN(C(=O)COc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000510994296 515739696 /nfs/dbraw/zinc/73/96/96/515739696.db2.gz GGYAHZZZKZPPIV-RDJZCZTQSA-N 1 0 369.421 2.925 20 5 FFBDRO COC(=O)c1cnc(NCC2([NH+](C)C)CCCCCC2)c([N+](=O)[O-])c1 ZINC000478263706 515758120 /nfs/dbraw/zinc/75/81/20/515758120.db2.gz FKJWVRNDGMXUKX-UHFFFAOYSA-N 1 0 350.419 2.843 20 5 FFBDRO Cc1cc(C(=O)N2CCN(CCc3cccs3)CC2)cc([N+](=O)[O-])c1 ZINC000500545094 515761282 /nfs/dbraw/zinc/76/12/82/515761282.db2.gz ARRMSHPJLJAZTA-UHFFFAOYSA-N 1 0 359.451 2.965 20 5 FFBDRO C[N@H+](CCCN1C(=O)c2ccccc2C1=O)CCc1ccccc1[N+](=O)[O-] ZINC000511139199 515800297 /nfs/dbraw/zinc/80/02/97/515800297.db2.gz HFFAPYVUGGJKIT-UHFFFAOYSA-N 1 0 367.405 2.755 20 5 FFBDRO O=C(c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000457366085 515830710 /nfs/dbraw/zinc/83/07/10/515830710.db2.gz COURCVCBYBJJQJ-QWHCGFSZSA-N 1 0 365.408 2.502 20 5 FFBDRO CCOc1cc(N2CC[NH+](C[C@@H](O)CCC(C)C)CC2)ccc1[N+](=O)[O-] ZINC000482875790 515834327 /nfs/dbraw/zinc/83/43/27/515834327.db2.gz SNQMLFBXFQVXOV-KRWDZBQOSA-N 1 0 365.474 2.913 20 5 FFBDRO C[N@H+](Cc1ccccc1)C1(CNC(=O)Nc2ccncc2[N+](=O)[O-])CCC1 ZINC000455037227 515911270 /nfs/dbraw/zinc/91/12/70/515911270.db2.gz IYSBNNGMVYSCNO-UHFFFAOYSA-N 1 0 369.425 2.588 20 5 FFBDRO COc1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000511559769 515944653 /nfs/dbraw/zinc/94/46/53/515944653.db2.gz JIHIJVASVUCJIZ-MRXNPFEDSA-N 1 0 355.394 2.608 20 5 FFBDRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)Nc1ccncc1[N+](=O)[O-])[NH+](C)C ZINC000478949070 516017072 /nfs/dbraw/zinc/01/70/72/516017072.db2.gz HLQAXLIEBPYXCC-DYVFJYSZSA-N 1 0 357.414 2.533 20 5 FFBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000487925644 516035438 /nfs/dbraw/zinc/03/54/38/516035438.db2.gz WVQYQZZDGFOOKU-IAQYHMDHSA-N 1 0 366.849 2.573 20 5 FFBDRO C[C@]1(c2ccc(F)cc2)CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000483407396 516074601 /nfs/dbraw/zinc/07/46/01/516074601.db2.gz OCIHAJFUXPQZMQ-IBGZPJMESA-N 1 0 357.385 2.996 20 5 FFBDRO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)cc2)C1 ZINC000465184853 516088254 /nfs/dbraw/zinc/08/82/54/516088254.db2.gz LAEKXTNOKLXCBN-ZDUSSCGKSA-N 1 0 358.398 2.896 20 5 FFBDRO COc1cc[nH+]c(N2CCN(c3c4ccccc4ncc3[N+](=O)[O-])CC2)c1 ZINC000488051632 516096964 /nfs/dbraw/zinc/09/69/64/516096964.db2.gz AFYUWOFVYWLZPF-UHFFFAOYSA-N 1 0 365.393 2.873 20 5 FFBDRO CC(C)[C@H]1CCC[C@@H]([NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000474706884 516164319 /nfs/dbraw/zinc/16/43/19/516164319.db2.gz ILDRQNGZHDOSMS-LSDHHAIUSA-N 1 0 369.487 2.678 20 5 FFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC000470203755 516171580 /nfs/dbraw/zinc/17/15/80/516171580.db2.gz FBKSNTAYBSCNBY-YRBHFNIASA-N 1 0 371.359 2.999 20 5 FFBDRO Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000479398020 516179456 /nfs/dbraw/zinc/17/94/56/516179456.db2.gz YFVZOWYKDBGTQA-CYBMUJFWSA-N 1 0 363.439 2.710 20 5 FFBDRO CC[NH+](CC)CCN(CC(C)C)S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000507434900 516210422 /nfs/dbraw/zinc/21/04/22/516210422.db2.gz JAWVOFOWQVVVKY-UHFFFAOYSA-N 1 0 371.503 2.892 20 5 FFBDRO CCCN(CC[NH+](CC)CC)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000460898587 516278895 /nfs/dbraw/zinc/27/88/95/516278895.db2.gz RDKZDVUCLZKFOQ-UHFFFAOYSA-N 1 0 357.476 2.646 20 5 FFBDRO C[C@H]1COc2ccccc2C[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000543875432 516475193 /nfs/dbraw/zinc/47/51/93/516475193.db2.gz BBBMCBVNSIKDQP-WMLDXEAASA-N 1 0 358.394 2.618 20 5 FFBDRO C[C@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccc2n[nH]cc2c1 ZINC000513216248 516527665 /nfs/dbraw/zinc/52/76/65/516527665.db2.gz ZCEMXIYMHZAYFT-LBPRGKRZSA-N 1 0 365.393 2.711 20 5 FFBDRO COc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])cn2)[NH+]2CCCC2)cc1 ZINC000531627803 516562263 /nfs/dbraw/zinc/56/22/63/516562263.db2.gz QZKLXTUTMILGQN-SFHVURJKSA-N 1 0 370.409 2.565 20 5 FFBDRO CCC1(CC)[C@H](OC)C[C@@H]1[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000544072354 516567275 /nfs/dbraw/zinc/56/72/75/516567275.db2.gz VCPAIHQGOYAHRG-FHLIZLRMSA-N 1 0 366.458 2.860 20 5 FFBDRO CS[C@@H]1CN(c2ccc(Br)cc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000536172939 516663690 /nfs/dbraw/zinc/66/36/90/516663690.db2.gz LTGLGBSKHARNNN-QWHCGFSZSA-N 1 0 360.277 2.839 20 5 FFBDRO [NH3+]CCN(Cc1ncc(Br)s1)c1ccccc1[N+](=O)[O-] ZINC000558417188 516729350 /nfs/dbraw/zinc/72/93/50/516729350.db2.gz YLUKETNBOMBAGA-UHFFFAOYSA-N 1 0 357.233 2.779 20 5 FFBDRO CCOc1ccc(C(=O)N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000561746953 516745892 /nfs/dbraw/zinc/74/58/92/516745892.db2.gz PKYREHZJSOSVTR-OFQRWUPVSA-N 1 0 361.442 2.796 20 5 FFBDRO CS(=O)(=O)[C@@H]1CCCC[C@@H]1[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000561782529 516771706 /nfs/dbraw/zinc/77/17/06/516771706.db2.gz NTOSQIOTRGVFSR-DLBZAZTESA-N 1 0 365.455 2.564 20 5 FFBDRO C[C@@H](O)C[N@@H+]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[C@H](C)C1 ZINC000551583042 516772744 /nfs/dbraw/zinc/77/27/44/516772744.db2.gz JEKBYPQWYZFOPG-HUUCEWRRSA-N 1 0 359.426 2.742 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C[C@H]1C ZINC000524879801 516855925 /nfs/dbraw/zinc/85/59/25/516855925.db2.gz UGVOEKONXGITFT-ZBFHGGJFSA-N 1 0 371.441 2.725 20 5 FFBDRO COc1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccccn2)cc1[N+](=O)[O-] ZINC000541104964 516877512 /nfs/dbraw/zinc/87/75/12/516877512.db2.gz GMEDRLSHHPQSKC-UHFFFAOYSA-N 1 0 373.413 2.594 20 5 FFBDRO CCCC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000544720365 516892707 /nfs/dbraw/zinc/89/27/07/516892707.db2.gz LLRWRMNDVGHDKP-MRXNPFEDSA-N 1 0 369.487 2.669 20 5 FFBDRO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000555417386 516920029 /nfs/dbraw/zinc/92/00/29/516920029.db2.gz NIAQMCOXJXYKJG-DXEWXGHRSA-N 1 0 359.426 2.859 20 5 FFBDRO CN(CCC[N@H+](C)Cc1ccco1)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000552059006 517055848 /nfs/dbraw/zinc/05/58/48/517055848.db2.gz IKXCMPVFERRHHX-UHFFFAOYSA-N 1 0 360.414 2.580 20 5 FFBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC000555684933 517063100 /nfs/dbraw/zinc/06/31/00/517063100.db2.gz SRLRTDBLKLQURZ-MRXNPFEDSA-N 1 0 363.801 2.563 20 5 FFBDRO CC1=CC[N@H+](CCNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000545162541 517079824 /nfs/dbraw/zinc/07/98/24/517079824.db2.gz JTVQSXMSNLRJNU-UHFFFAOYSA-N 1 0 357.332 2.995 20 5 FFBDRO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C1CCOCC1 ZINC000537220083 517095376 /nfs/dbraw/zinc/09/53/76/517095376.db2.gz MVZFUJIGHYWNKX-SWLSCSKDSA-N 1 0 365.430 2.725 20 5 FFBDRO COc1ccc(OC)c(CC[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000548761266 517195776 /nfs/dbraw/zinc/19/57/76/517195776.db2.gz WHKWJBOOFAMYHL-UHFFFAOYSA-N 1 0 373.409 2.773 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCc4cncnc4C3)o2)c1 ZINC000532955627 517221334 /nfs/dbraw/zinc/22/13/34/517221334.db2.gz SGEHKPQATKWXHF-UHFFFAOYSA-N 1 0 351.366 2.641 20 5 FFBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000541851579 517250562 /nfs/dbraw/zinc/25/05/62/517250562.db2.gz IVBDWRXQZYZCHR-OAHLLOKOSA-N 1 0 366.849 2.670 20 5 FFBDRO COC(=O)CC1([NH2+]CC(=O)Nc2c(C)cccc2[N+](=O)[O-])CCCCC1 ZINC000533068670 517277815 /nfs/dbraw/zinc/27/78/15/517277815.db2.gz KBBCYSRJMOHIQT-UHFFFAOYSA-N 1 0 363.414 2.697 20 5 FFBDRO Cc1nn(C)c(-c2nc(-c3ccc(F)c(C[NH+](C)C)c3)no2)c1[N+](=O)[O-] ZINC000545747928 517353715 /nfs/dbraw/zinc/35/37/15/517353715.db2.gz QVETXGTWSDYPLB-UHFFFAOYSA-N 1 0 360.349 2.554 20 5 FFBDRO CC(C)(CNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000295639734 517400496 /nfs/dbraw/zinc/40/04/96/517400496.db2.gz GNDZDMIYFRGVIH-UHFFFAOYSA-N 1 0 361.442 2.796 20 5 FFBDRO C[C@@H](C(=O)N(CC[NH+](C)C)Cc1ccccn1)c1cccc([N+](=O)[O-])c1 ZINC000520472969 517406754 /nfs/dbraw/zinc/40/67/54/517406754.db2.gz IMQMVGCBFMLLCT-OAHLLOKOSA-N 1 0 356.426 2.684 20 5 FFBDRO COc1cc(CN2CC[N@H+](C)C(C)(C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000559758149 517415434 /nfs/dbraw/zinc/41/54/34/517415434.db2.gz ACJMRBWXNMSBGD-UHFFFAOYSA-N 1 0 359.373 2.731 20 5 FFBDRO C[C@@H]1C[C@@H]1N1C[C@H]([NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CC1=O ZINC000537983168 517424150 /nfs/dbraw/zinc/42/41/50/517424150.db2.gz AGUPIZKMOJNOCU-PFFDZEIZSA-N 1 0 357.454 2.905 20 5 FFBDRO COCC1(C)CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000537994456 517426185 /nfs/dbraw/zinc/42/61/85/517426185.db2.gz DVHIVPKQTARMQF-UHFFFAOYSA-N 1 0 365.430 2.681 20 5 FFBDRO Cc1ccc(C(=O)NCCc2ccc(OCC[NH+](C)C)cc2)cc1[N+](=O)[O-] ZINC000520545723 517429895 /nfs/dbraw/zinc/42/98/95/517429895.db2.gz PVNPPJZGNBHXCF-UHFFFAOYSA-N 1 0 371.437 2.816 20 5 FFBDRO C[C@H](Cc1ccc(Cl)cc1Cl)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000515637132 517430514 /nfs/dbraw/zinc/43/05/14/517430514.db2.gz DHBBGDPGECYNPX-YGRLFVJLSA-N 1 0 373.240 2.680 20 5 FFBDRO CC[N@H+](C)CCNc1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000538086994 517460588 /nfs/dbraw/zinc/46/05/88/517460588.db2.gz NQPNWXNVWUYKFS-UHFFFAOYSA-N 1 0 353.220 2.691 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)c1 ZINC000549328485 517514970 /nfs/dbraw/zinc/51/49/70/517514970.db2.gz IJPMIYLHGUOSFV-INIZCTEOSA-N 1 0 371.437 2.896 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CCc2ccc(Cl)s2)c1 ZINC000562983843 517555941 /nfs/dbraw/zinc/55/59/41/517555941.db2.gz AECNGSVBBPXNGV-LBPRGKRZSA-N 1 0 356.831 2.882 20 5 FFBDRO COc1ccc2c(c1)CCC[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C2 ZINC000556686085 517569952 /nfs/dbraw/zinc/56/99/52/517569952.db2.gz MHTMUKDUGLBXSN-GOSISDBHSA-N 1 0 372.421 2.792 20 5 FFBDRO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)c1ncc([N+](=O)[O-])cn1 ZINC000546181864 517586997 /nfs/dbraw/zinc/58/69/97/517586997.db2.gz KKPYDRBBKRLLOO-UHFFFAOYSA-N 1 0 369.347 2.972 20 5 FFBDRO CCC(C)(C)[NH2+][C@@H](C)C(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000542504096 517598478 /nfs/dbraw/zinc/59/84/78/517598478.db2.gz MPMAVQAYXNYQJS-AWEZNQCLSA-N 1 0 350.463 2.988 20 5 FFBDRO CC(C)(C)[C@H]1CCC[N@@H+]([C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000527284009 517614923 /nfs/dbraw/zinc/61/49/23/517614923.db2.gz VFHQADJVHYJKGF-BBRMVZONSA-N 1 0 359.426 2.985 20 5 FFBDRO CNC(=O)COc1cccc(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])c1 ZINC000549558184 517617991 /nfs/dbraw/zinc/61/79/91/517617991.db2.gz HWCUNSPVOPSMNX-VMPITWQZSA-N 1 0 355.394 2.523 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)n1 ZINC000553377352 517678805 /nfs/dbraw/zinc/67/88/05/517678805.db2.gz CSZOEIKQVOALSF-HNNXBMFYSA-N 1 0 374.397 2.927 20 5 FFBDRO Cc1cc2ncn(C[C@H](O)C[NH2+]CCc3ccc([N+](=O)[O-])cc3)c2cc1C ZINC000556859423 517712910 /nfs/dbraw/zinc/71/29/10/517712910.db2.gz NIVRLWDADUMWER-GOSISDBHSA-N 1 0 368.437 2.755 20 5 FFBDRO Cc1cccc(OC[C@@H](C)[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000516562956 517744213 /nfs/dbraw/zinc/74/42/13/517744213.db2.gz KJGIAQZLALVFEY-WBVHZDCISA-N 1 0 360.410 2.700 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000521512875 517760960 /nfs/dbraw/zinc/76/09/60/517760960.db2.gz PSRBBNXXYHPFQE-UHFFFAOYSA-N 1 0 371.437 2.816 20 5 FFBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000542852607 517783083 /nfs/dbraw/zinc/78/30/83/517783083.db2.gz MCQDGQWDBBCHGQ-GFCCVEGCSA-N 1 0 371.384 2.904 20 5 FFBDRO COc1cc(CN2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c([N+](=O)[O-])cc1OC(F)F ZINC000521874740 517881797 /nfs/dbraw/zinc/88/17/97/517881797.db2.gz CNFVDSZWJQOFIN-WCFLWFBJSA-N 1 0 371.384 2.764 20 5 FFBDRO COc1ccncc1C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000560541995 517882397 /nfs/dbraw/zinc/88/23/97/517882397.db2.gz GDFJPSNXNXKQIQ-UHFFFAOYSA-N 1 0 353.382 2.689 20 5 FFBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000553785597 517904550 /nfs/dbraw/zinc/90/45/50/517904550.db2.gz GXIBDXRTQQWTOC-IYOUNJFTSA-N 1 0 372.469 2.971 20 5 FFBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCC(C)(C)C[NH+](C)C ZINC000516915269 517911272 /nfs/dbraw/zinc/91/12/72/517911272.db2.gz JHQNKDRWBCUOSK-UHFFFAOYSA-N 1 0 372.263 2.983 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC000543139138 517928282 /nfs/dbraw/zinc/92/82/82/517928282.db2.gz LUYJITCBVWPTCP-GOSISDBHSA-N 1 0 372.421 2.920 20 5 FFBDRO C[C@H]1CN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000553867778 517942813 /nfs/dbraw/zinc/94/28/13/517942813.db2.gz XBJUPRZPEYIFQP-OAHLLOKOSA-N 1 0 360.458 2.730 20 5 FFBDRO CCC(CC)[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccs1 ZINC000539278956 517977934 /nfs/dbraw/zinc/97/79/34/517977934.db2.gz YALTVYVQMGSMHO-HOCLYGCPSA-N 1 0 352.460 2.981 20 5 FFBDRO COc1ccc(C[NH2+]C[C@H](O)COc2ccccc2Cl)cc1[N+](=O)[O-] ZINC000550366211 518014394 /nfs/dbraw/zinc/01/43/94/518014394.db2.gz YZNLPIHGRRLMBA-ZDUSSCGKSA-N 1 0 366.801 2.786 20 5 FFBDRO CCCC[NH+]1CCC(NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000522199806 518027473 /nfs/dbraw/zinc/02/74/73/518027473.db2.gz WBFAAYIWAXCIOG-UHFFFAOYSA-N 1 0 363.462 2.570 20 5 FFBDRO CCn1c(C)nc([N+](=O)[O-])c1NCC1([NH+]2CCSCC2)CCCC1 ZINC000563649030 518045576 /nfs/dbraw/zinc/04/55/76/518045576.db2.gz HJLCEGAJSDPPEV-UHFFFAOYSA-N 1 0 353.492 2.893 20 5 FFBDRO C[N@H+](CCCNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)C1CCCCC1 ZINC000517169442 518048519 /nfs/dbraw/zinc/04/85/19/518048519.db2.gz CTWVRKDCNNKPTQ-UHFFFAOYSA-N 1 0 352.410 2.701 20 5 FFBDRO COc1ccc([C@H](C[NH+](C)C)NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC000560841475 518058052 /nfs/dbraw/zinc/05/80/52/518058052.db2.gz IZCZECCSOXGZPQ-KRWDZBQOSA-N 1 0 357.410 2.945 20 5 FFBDRO CSC1(CNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC[NH+](C)CC1 ZINC000560840259 518058992 /nfs/dbraw/zinc/05/89/92/518058992.db2.gz AAMCMMARICPLSD-UHFFFAOYSA-N 1 0 365.499 2.816 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)c1 ZINC000554113724 518066205 /nfs/dbraw/zinc/06/62/05/518066205.db2.gz UZBZMQFNSPGZBU-QWQRMKEZSA-N 1 0 361.442 2.796 20 5 FFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H](O)CCc1ccccc1 ZINC000543393562 518067658 /nfs/dbraw/zinc/06/76/58/518067658.db2.gz JMYADRYMZOVRQT-KXBFYZLASA-N 1 0 371.437 2.895 20 5 FFBDRO C[NH+](C)CCCOc1ccc(CNc2cccc(C(N)=O)c2[N+](=O)[O-])cc1 ZINC000557558633 518076072 /nfs/dbraw/zinc/07/60/72/518076072.db2.gz VCGYKZTWXJNSPU-UHFFFAOYSA-N 1 0 372.425 2.636 20 5 FFBDRO Cc1c(Br)c(N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)ncc1[N+](=O)[O-] ZINC000543437356 518090336 /nfs/dbraw/zinc/09/03/36/518090336.db2.gz UBVMRRDKWLVVFD-NEPJUHHUSA-N 1 0 369.263 2.981 20 5 FFBDRO C[NH+](C)CC[C@H](NC(=O)NCCNc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000522618088 518136280 /nfs/dbraw/zinc/13/62/80/518136280.db2.gz JWQGTBJDQZYMAO-INIZCTEOSA-N 1 0 365.478 2.672 20 5 FFBDRO CCC[C@@H]1CN(C(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1CCOC ZINC000563849078 518148916 /nfs/dbraw/zinc/14/89/16/518148916.db2.gz HPARUKZBKHDBRX-MAUKXSAKSA-N 1 0 363.458 2.658 20 5 FFBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]C[C@@H](O)COCc3ccccc3)c2c1 ZINC000584287302 518265327 /nfs/dbraw/zinc/26/53/27/518265327.db2.gz BEHNIXKNFVLOSZ-GOSISDBHSA-N 1 0 369.421 2.786 20 5 FFBDRO CCc1ccc(S(=O)(=O)NCCC2CC[NH+](CC)CC2)cc1[N+](=O)[O-] ZINC000569806047 518302363 /nfs/dbraw/zinc/30/23/63/518302363.db2.gz DKCKCLWCTKCKGI-UHFFFAOYSA-N 1 0 369.487 2.558 20 5 FFBDRO CC(C)Cc1ccc([C@@H](CNC(=O)c2[nH]ncc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000578634602 518303245 /nfs/dbraw/zinc/30/32/45/518303245.db2.gz BOXKIDKIGRXFTE-OAHLLOKOSA-N 1 0 359.430 2.549 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CCCC[C@H]2[C@H](C)[NH3+])cc1SC ZINC000581543004 518337763 /nfs/dbraw/zinc/33/77/63/518337763.db2.gz YLEGJTRVAGRGLM-JQWIXIFHSA-N 1 0 353.444 2.667 20 5 FFBDRO CSc1ccc(CC[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000584465486 518354752 /nfs/dbraw/zinc/35/47/52/518354752.db2.gz LAGWKGLBHKKWHR-OAHLLOKOSA-N 1 0 362.451 2.889 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@]2(C)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000567238923 518423304 /nfs/dbraw/zinc/42/33/04/518423304.db2.gz BGTZIKIVUTUYBX-HXUWFJFHSA-N 1 0 369.421 2.998 20 5 FFBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000572952297 518436056 /nfs/dbraw/zinc/43/60/56/518436056.db2.gz CNPGORCFVCBFIE-JRPNMDOOSA-N 1 0 360.439 2.835 20 5 FFBDRO C[C@@H](CCc1ccc(O)cc1)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000584775889 518473014 /nfs/dbraw/zinc/47/30/14/518473014.db2.gz VZQCEQMPLUCONS-WMLDXEAASA-N 1 0 360.410 2.651 20 5 FFBDRO C[C@H](C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])Cc1cccs1 ZINC000570201713 518492529 /nfs/dbraw/zinc/49/25/29/518492529.db2.gz DKGXGGFMQMLRGS-KBPBESRZSA-N 1 0 350.440 2.864 20 5 FFBDRO C[C@@H](C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])Oc1ccccc1F ZINC000579103341 518522845 /nfs/dbraw/zinc/52/28/45/518522845.db2.gz JBIKHJPELRSFRY-UONOGXRCSA-N 1 0 364.373 2.531 20 5 FFBDRO CC(C)(C)[C@@H]1C[C@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000579228607 518582969 /nfs/dbraw/zinc/58/29/69/518582969.db2.gz USQNFOTUIOORNR-KMFMINBZSA-N 1 0 352.431 2.518 20 5 FFBDRO CC(C)(C)[C@@H]1C[C@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000579228610 518583635 /nfs/dbraw/zinc/58/36/35/518583635.db2.gz USQNFOTUIOORNR-UNEWFSDZSA-N 1 0 352.431 2.518 20 5 FFBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCCCC[C@H]1CCO ZINC000585754835 518585354 /nfs/dbraw/zinc/58/53/54/518585354.db2.gz FESQZTSUBZNIBH-AWEZNQCLSA-N 1 0 363.414 2.520 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCc2ccc3c[nH]nc3c2)n1 ZINC000585765419 518589668 /nfs/dbraw/zinc/58/96/68/518589668.db2.gz BRHHNNBAWBSKIS-NVXWUHKLSA-N 1 0 354.414 2.984 20 5 FFBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000564754288 518597616 /nfs/dbraw/zinc/59/76/16/518597616.db2.gz KKADDFZGFWDQTE-MDZRGWNJSA-N 1 0 374.485 2.895 20 5 FFBDRO CCC[C@@H]([NH2+]C[C@H]1CCCCN1S(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000579264493 518599475 /nfs/dbraw/zinc/59/94/75/518599475.db2.gz STGHUENZEXIEOM-IAGOWNOFSA-N 1 0 369.487 2.840 20 5 FFBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000579300454 518613145 /nfs/dbraw/zinc/61/31/45/518613145.db2.gz HPGYJHRYBPVKHW-CYBMUJFWSA-N 1 0 352.435 2.523 20 5 FFBDRO CCOc1cc(C(=O)N2C[C@H]([NH3+])Cc3ccccc32)c([N+](=O)[O-])cc1OC ZINC000564792927 518616591 /nfs/dbraw/zinc/61/65/91/518616591.db2.gz FGOAMJZJNJZJTG-CYBMUJFWSA-N 1 0 371.393 2.532 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)cc1SC ZINC000579343084 518635462 /nfs/dbraw/zinc/63/54/62/518635462.db2.gz BKDAJPUTFQFSFW-WOPDTQHZSA-N 1 0 367.471 2.771 20 5 FFBDRO COC[C@@H](C)C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000582210675 518638812 /nfs/dbraw/zinc/63/88/12/518638812.db2.gz BMADESMOTNXXCR-VIFPVBQESA-N 1 0 364.183 2.572 20 5 FFBDRO CC(C)[C@H]1CN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C2CC2)CC[N@@H+]1C ZINC000576591285 518667164 /nfs/dbraw/zinc/66/71/64/518667164.db2.gz IIEPIGDCJODLFH-QGZVFWFLSA-N 1 0 370.457 2.965 20 5 FFBDRO O=C(C1CC[NH+]([C@H]2CCSC2)CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000576596553 518669838 /nfs/dbraw/zinc/66/98/38/518669838.db2.gz VYNQLBQBHFEPDE-INIZCTEOSA-N 1 0 361.467 2.701 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@@H]2SCCc3ccccc32)c1 ZINC000567725716 518677190 /nfs/dbraw/zinc/67/71/90/518677190.db2.gz GQBWNBPQEHFDRY-LPHOPBHVSA-N 1 0 374.462 2.955 20 5 FFBDRO O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000570651523 518711849 /nfs/dbraw/zinc/71/18/49/518711849.db2.gz RSTFVUBGCQFHLP-LBPRGKRZSA-N 1 0 374.363 2.700 20 5 FFBDRO COc1cc(C(=O)N[C@H](C[NH+](C)C)c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000573637768 518761883 /nfs/dbraw/zinc/76/18/83/518761883.db2.gz GLLUFOKGRJDLBV-OAHLLOKOSA-N 1 0 361.373 2.775 20 5 FFBDRO C[C@H]1CN(c2ccc(C[NH2+][C@@H]3CCc4c3cccc4[N+](=O)[O-])cn2)CCO1 ZINC000579610768 518765226 /nfs/dbraw/zinc/76/52/26/518765226.db2.gz CLICMPPTHNJVNX-KBXCAEBGSA-N 1 0 368.437 2.992 20 5 FFBDRO COc1ccccc1[C@]1(C)C[C@@H]1[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000582481634 518774672 /nfs/dbraw/zinc/77/46/72/518774672.db2.gz BZCOKJMRTRCOAF-GKCIPKSASA-N 1 0 372.421 2.663 20 5 FFBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1CCN(CCOc2ccccc2)CC1 ZINC000579635075 518774946 /nfs/dbraw/zinc/77/49/46/518774946.db2.gz GCHGSTCPTUQYCS-UHFFFAOYSA-N 1 0 369.421 2.998 20 5 FFBDRO Cc1c(NC(=O)[C@H](C)N2CCC([C@@H]3CC[NH2+]C3)CC2)cccc1[N+](=O)[O-] ZINC000567899814 518775129 /nfs/dbraw/zinc/77/51/29/518775129.db2.gz XZTUVTZILCPDDS-GOEBONIOSA-N 1 0 360.458 2.552 20 5 FFBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000576825900 518782795 /nfs/dbraw/zinc/78/27/95/518782795.db2.gz KFGVFXSJAKVVFJ-CYBMUJFWSA-N 1 0 356.426 2.945 20 5 FFBDRO CN(C)C(=O)[C@H](Cc1ccccc1)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000582497529 518783728 /nfs/dbraw/zinc/78/37/28/518783728.db2.gz VLRFESXVXYWSJZ-ROUUACIJSA-N 1 0 353.422 2.871 20 5 FFBDRO [NH3+]C[C@H]1c2ccccc2CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000567926112 518787144 /nfs/dbraw/zinc/78/71/44/518787144.db2.gz CTFLIGJZGBCVKH-KRWDZBQOSA-N 1 0 359.813 2.875 20 5 FFBDRO CC[N@H+]1C[C@@H](C)N(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000573722004 518804248 /nfs/dbraw/zinc/80/42/48/518804248.db2.gz REIKPQCAJDCGRG-GASCZTMLSA-N 1 0 360.458 2.750 20 5 FFBDRO CC[NH+]1C[C@H](C)N(C(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000570848079 518809440 /nfs/dbraw/zinc/80/94/40/518809440.db2.gz DZRPFJZHCGUQAR-RYUDHWBXSA-N 1 0 367.471 2.880 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])c(NCc2ccncc2OCCC[NH+](C)C)n1 ZINC000573756773 518820770 /nfs/dbraw/zinc/82/07/70/518820770.db2.gz KGGZPEQEQYEBFX-UHFFFAOYSA-N 1 0 359.430 2.944 20 5 FFBDRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)s1 ZINC000582610872 518837787 /nfs/dbraw/zinc/83/77/87/518837787.db2.gz CRWISVFFFMYGGI-ZDUSSCGKSA-N 1 0 362.455 2.887 20 5 FFBDRO COc1cc[nH+]c(N2CCN(c3cc([N+](=O)[O-])ccc3C(C)=O)CC2)c1 ZINC000565265244 518868394 /nfs/dbraw/zinc/86/83/94/518868394.db2.gz DTOMLCATCYFGRS-UHFFFAOYSA-N 1 0 356.382 2.528 20 5 FFBDRO C[C@H]1C[C@H](C[N@@H+]2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)CCO1 ZINC000571019503 518887009 /nfs/dbraw/zinc/88/70/09/518887009.db2.gz GJLREGDKHUZYLS-LSDHHAIUSA-N 1 0 373.457 2.798 20 5 FFBDRO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)CCn1cc(Br)cn1 ZINC000588986297 518888857 /nfs/dbraw/zinc/88/88/57/518888857.db2.gz AVQZFUPXXTXFJM-UHFFFAOYSA-N 1 0 353.220 2.728 20 5 FFBDRO CC(C)Oc1nc(NCC2CCN(c3cc[nH+]cc3)CC2)ccc1[N+](=O)[O-] ZINC000565373700 518923460 /nfs/dbraw/zinc/92/34/60/518923460.db2.gz XNMRPYJLTVLOGA-UHFFFAOYSA-N 1 0 371.441 2.922 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000565389719 518929148 /nfs/dbraw/zinc/92/91/48/518929148.db2.gz ALIWVOPKTJMAON-YLJYHZDGSA-N 1 0 368.437 2.877 20 5 FFBDRO COC(=O)c1cc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cn1C ZINC000589166685 518936823 /nfs/dbraw/zinc/93/68/23/518936823.db2.gz QXSYSUGSIKMFEW-UHFFFAOYSA-N 1 0 373.409 2.763 20 5 FFBDRO CCC(CC)[C@@H]1C[C@@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000582960712 519008861 /nfs/dbraw/zinc/00/88/61/519008861.db2.gz LAVCSQZFMHCNML-IEZWGBDMSA-N 1 0 366.458 2.908 20 5 FFBDRO CCC(CC)[C@@H]1C[C@@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000582960714 519009480 /nfs/dbraw/zinc/00/94/80/519009480.db2.gz LAVCSQZFMHCNML-WDYCEAGBSA-N 1 0 366.458 2.908 20 5 FFBDRO O=C(NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)c1cc([N+](=O)[O-])c[nH]1 ZINC000589581609 519035537 /nfs/dbraw/zinc/03/55/37/519035537.db2.gz QWWKIFOGMHKYID-MRXNPFEDSA-N 1 0 356.426 2.955 20 5 FFBDRO COCC[NH+]1CCC(N[C@@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)CC1 ZINC000583029300 519043251 /nfs/dbraw/zinc/04/32/51/519043251.db2.gz KPEDZIUYZAIDQD-HNNXBMFYSA-N 1 0 361.364 2.899 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000580184049 519049859 /nfs/dbraw/zinc/04/98/59/519049859.db2.gz VBPLNUIAKHGFKQ-CDGCEXEKSA-N 1 0 367.833 2.601 20 5 FFBDRO CCc1nc2ccccc2n1Cc1noc(-c2cc([N+](=O)[O-])cn2C)n1 ZINC000568470500 519052753 /nfs/dbraw/zinc/05/27/53/519052753.db2.gz MBNZUBWISZYRDV-UHFFFAOYSA-N 1 0 352.354 2.944 20 5 FFBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000589643164 519054740 /nfs/dbraw/zinc/05/47/40/519054740.db2.gz GVAFZBRVDJFXIV-OAHLLOKOSA-N 1 0 373.457 2.792 20 5 FFBDRO CCC[C@@H]1C[NH2+]CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000565775755 519126991 /nfs/dbraw/zinc/12/69/91/519126991.db2.gz YCOQHUWKJVMXHR-CYBMUJFWSA-N 1 0 370.247 2.500 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCOC[C@H](C2CCC2)C1 ZINC000590022645 519131399 /nfs/dbraw/zinc/13/13/99/519131399.db2.gz QCZZAICLZXTATL-MRXNPFEDSA-N 1 0 361.442 2.980 20 5 FFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1CCCCN1C1CC1 ZINC000580399538 519154791 /nfs/dbraw/zinc/15/47/91/519154791.db2.gz INQRCXYUQMKSRB-KBXCAEBGSA-N 1 0 360.458 2.918 20 5 FFBDRO C[NH+]1CCC2(CCN(C(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)C2)CC1 ZINC000590375490 519208754 /nfs/dbraw/zinc/20/87/54/519208754.db2.gz BFDRGHXDRBYYSF-UHFFFAOYSA-N 1 0 358.442 2.727 20 5 FFBDRO CS[C@H]1CN(c2ccc([N+](=O)[O-])c(OC(C)C)n2)C[C@H]1[NH+]1CCCC1 ZINC000583392190 519224826 /nfs/dbraw/zinc/22/48/26/519224826.db2.gz XZIUYTUBTKWTSY-CABCVRRESA-N 1 0 366.487 2.793 20 5 FFBDRO COc1cncc(/C=C\CC[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000571758729 519261556 /nfs/dbraw/zinc/26/15/56/519261556.db2.gz UJHZLZVTXFAKMK-ZENLRNHISA-N 1 0 369.425 2.983 20 5 FFBDRO CC[NH2+]CCCNC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000571760692 519263373 /nfs/dbraw/zinc/26/33/73/519263373.db2.gz MOPNIONBALDJBP-HUUCEWRRSA-N 1 0 362.474 2.807 20 5 FFBDRO COC(=O)c1ccnc(NC[C@@H](c2ccc(F)cc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000590574597 519272321 /nfs/dbraw/zinc/27/23/21/519272321.db2.gz LRQNGSXGCILMQO-AWEZNQCLSA-N 1 0 362.361 2.630 20 5 FFBDRO COC(=O)c1ccnc(N[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000590579366 519273569 /nfs/dbraw/zinc/27/35/69/519273569.db2.gz YSMFMZLILOKTIC-HNNXBMFYSA-N 1 0 370.409 2.853 20 5 FFBDRO [NH3+][C@@H]1CCO[C@H](C2CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4o3)CC2)C1 ZINC000580645445 519282489 /nfs/dbraw/zinc/28/24/89/519282489.db2.gz DQFNLWKFKZHMDN-PBHICJAKSA-N 1 0 373.409 2.700 20 5 FFBDRO [NH3+][C@@H]1CCO[C@@H](C2CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4o3)CC2)C1 ZINC000580645446 519283344 /nfs/dbraw/zinc/28/33/44/519283344.db2.gz DQFNLWKFKZHMDN-RHSMWYFYSA-N 1 0 373.409 2.700 20 5 FFBDRO C[N@H+](CCNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)Cc1ccccc1 ZINC000571834757 519299985 /nfs/dbraw/zinc/29/99/85/519299985.db2.gz CFGBLFAIDLKTNE-UHFFFAOYSA-N 1 0 363.364 2.664 20 5 FFBDRO C[C@H]1CCCN(c2ccc(C(=O)NCC3(C)CC[NH2+]CC3)cc2[N+](=O)[O-])C1 ZINC000583688135 519382931 /nfs/dbraw/zinc/38/29/31/519382931.db2.gz OBMWPXXXFVUHJN-HNNXBMFYSA-N 1 0 374.485 2.951 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CCc1c[nH]c2ccc(F)cc12 ZINC000578186772 519463825 /nfs/dbraw/zinc/46/38/25/519463825.db2.gz BJAUHOPVPFPAQA-HNNXBMFYSA-N 1 0 373.384 2.787 20 5 FFBDRO CC[NH+](CC)CCCNc1ccc([N+](=O)[O-])c(N2CCOCC2)c1F ZINC000572303470 519546149 /nfs/dbraw/zinc/54/61/49/519546149.db2.gz KYGALIZKAXXTNR-UHFFFAOYSA-N 1 0 354.426 2.714 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CCSc2ccccc2)cc1 ZINC000569524424 519592408 /nfs/dbraw/zinc/59/24/08/519592408.db2.gz APZWKRIPMBGXDU-UHFFFAOYSA-N 1 0 366.464 2.750 20 5 FFBDRO O=[N+]([O-])c1cc2c(nc1N1CCC[C@@H]([NH+]3CCOCC3)CC1)CCCC2 ZINC000581260449 519604095 /nfs/dbraw/zinc/60/40/95/519604095.db2.gz IPHAPHCKAOPTNK-MRXNPFEDSA-N 1 0 360.458 2.560 20 5 FFBDRO CC(C)[C@H]1C[NH2+]CCN1C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000599917850 519949709 /nfs/dbraw/zinc/94/97/09/519949709.db2.gz XQPAEPSJWDELKJ-CQSZACIVSA-N 1 0 374.363 2.753 20 5 FFBDRO Cn1ccnc1[C@@H](N[C@H]1CC[NH2+]C2(CCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000591582652 519957763 /nfs/dbraw/zinc/95/77/63/519957763.db2.gz RSVXBLFLDZWXGF-RDJZCZTQSA-N 1 0 355.442 2.682 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC2(CCc3ccccc3O2)CC1 ZINC000602902657 519961333 /nfs/dbraw/zinc/96/13/33/519961333.db2.gz KIYKHVYIMKHODR-UHFFFAOYSA-N 1 0 356.426 2.960 20 5 FFBDRO CCC1([NH+](C)C)CCN(C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000602931242 519979544 /nfs/dbraw/zinc/97/95/44/519979544.db2.gz NNIHJOZKIARTQU-UHFFFAOYSA-N 1 0 350.419 2.942 20 5 FFBDRO Cn1nnc2c1CC[C@H]([NH2+]Cc1ccc(-c3ccc([N+](=O)[O-])cc3)o1)C2 ZINC000594514616 520009963 /nfs/dbraw/zinc/00/99/63/520009963.db2.gz JNTWIFTZBPKJTB-ZDUSSCGKSA-N 1 0 353.382 2.630 20 5 FFBDRO C[C@@H](C[NH+]1CCCCC1)Nc1ccc([N+](=O)[O-])c(N2CCOCC2)c1F ZINC000594544605 520020197 /nfs/dbraw/zinc/02/01/97/520020197.db2.gz GQBZGBCNLGFWPL-AWEZNQCLSA-N 1 0 366.437 2.857 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1COc2c1cccc2Cl ZINC000591753826 520023480 /nfs/dbraw/zinc/02/34/80/520023480.db2.gz LZNVXRSJKZPOHC-BXUZGUMPSA-N 1 0 364.785 2.711 20 5 FFBDRO CC(C)OC1CCC([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000591757002 520024377 /nfs/dbraw/zinc/02/43/77/520024377.db2.gz NQVFZWQYUXCGMQ-UHFFFAOYSA-N 1 0 370.471 2.694 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000591767658 520029907 /nfs/dbraw/zinc/02/99/07/520029907.db2.gz IJKISXOCWLYBQL-ZHALLVOQSA-N 1 0 372.421 2.844 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccc(CC(=O)OC)cc1 ZINC000600186319 520108791 /nfs/dbraw/zinc/10/87/91/520108791.db2.gz DCWIXAFIKRQBPQ-UHFFFAOYSA-N 1 0 358.394 2.999 20 5 FFBDRO O=C(CSc1ccccc1[N+](=O)[O-])Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000608906941 520159039 /nfs/dbraw/zinc/15/90/39/520159039.db2.gz DQDREYYVWPKVRJ-UHFFFAOYSA-N 1 0 355.379 2.906 20 5 FFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]Cc1nn(C)c2ccccc12 ZINC000612829251 520171877 /nfs/dbraw/zinc/17/18/77/520171877.db2.gz LQJDWHHKNDNWAH-ZDUSSCGKSA-N 1 0 367.409 2.988 20 5 FFBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000597699197 520183782 /nfs/dbraw/zinc/18/37/82/520183782.db2.gz IPBRUOFOVCQKIK-AAEUAGOBSA-N 1 0 355.822 2.568 20 5 FFBDRO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@H+](CCC[C@H]4CCOC4)CC3)nc2c1 ZINC000592101654 520184190 /nfs/dbraw/zinc/18/41/90/520184190.db2.gz CUTFUNWOCRAQGI-HNNXBMFYSA-N 1 0 373.457 2.800 20 5 FFBDRO CC[C@@]1([NH2+]Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])CCOC1 ZINC000616865936 520191874 /nfs/dbraw/zinc/19/18/74/520191874.db2.gz AVIRLPSJMZRXOV-MRXNPFEDSA-N 1 0 360.357 2.906 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000600314172 520201336 /nfs/dbraw/zinc/20/13/36/520201336.db2.gz MFOBVCBHZZHDFA-OLZOCXBDSA-N 1 0 369.849 2.864 20 5 FFBDRO CC(C)[NH2+][C@H]1CCCN(C(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000609135272 520201455 /nfs/dbraw/zinc/20/14/55/520201455.db2.gz CBHADKVKMGYPBQ-HNNXBMFYSA-N 1 0 371.441 2.598 20 5 FFBDRO CC[NH+](CC)CCN(CCOC)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000609189305 520224164 /nfs/dbraw/zinc/22/41/64/520224164.db2.gz ZOOHXVDOYXUBSS-UHFFFAOYSA-N 1 0 363.414 2.771 20 5 FFBDRO COc1ccc(OCC[NH2+][C@@H](CCO)c2ccccc2F)c([N+](=O)[O-])c1 ZINC000592161654 520236886 /nfs/dbraw/zinc/23/68/86/520236886.db2.gz RGAPBFDIPGOBRH-INIZCTEOSA-N 1 0 364.373 2.835 20 5 FFBDRO COCC(=O)N1CCC([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000609222679 520237449 /nfs/dbraw/zinc/23/74/49/520237449.db2.gz BIYNYANZBWJEKS-UHFFFAOYSA-N 1 0 373.409 2.582 20 5 FFBDRO CC(C)[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1(CO)CC=CC1 ZINC000592177378 520247327 /nfs/dbraw/zinc/24/73/27/520247327.db2.gz HFONIHILFIIBJS-GOSISDBHSA-N 1 0 361.442 2.866 20 5 FFBDRO COc1cc(C[NH2+][C@H]2C[C@H](O)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000594998005 520249273 /nfs/dbraw/zinc/24/92/73/520249273.db2.gz DRELAAOOTDNJER-JCNLHEQBSA-N 1 0 358.394 2.795 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000595003778 520252545 /nfs/dbraw/zinc/25/25/45/520252545.db2.gz JZUDNWCXPKGJLX-GDBMZVCRSA-N 1 0 351.447 2.611 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCc1nnc2n1CCCCC2 ZINC000595003692 520253524 /nfs/dbraw/zinc/25/35/24/520253524.db2.gz JUPBNDGNQLNPPM-ZDUSSCGKSA-N 1 0 359.430 2.815 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCNC(=O)c1cccc(C)c1 ZINC000595016203 520256020 /nfs/dbraw/zinc/25/60/20/520256020.db2.gz IIIFSDAIUWYTDS-AWEZNQCLSA-N 1 0 357.410 2.992 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCC1([NH+]2CCCC2)CCOCC1 ZINC000595012862 520256924 /nfs/dbraw/zinc/25/69/24/520256924.db2.gz PJDILMGHFUKASL-OAHLLOKOSA-N 1 0 363.458 2.899 20 5 FFBDRO CN(CCCC[NH+]1CCCCC1)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000603422672 520258526 /nfs/dbraw/zinc/25/85/26/520258526.db2.gz HYRZBCBMFQXPIA-UHFFFAOYSA-N 1 0 369.487 2.701 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H]1CCOC2(CCOCC2)C1 ZINC000595021895 520260234 /nfs/dbraw/zinc/26/02/34/520260234.db2.gz GMXNXOMBGQLZPK-KGLIPLIRSA-N 1 0 350.415 2.982 20 5 FFBDRO CC[NH+](CC)CCOc1ccc(NC(=O)c2cc([N+](=O)[O-])cn2C)cc1 ZINC000603446339 520266220 /nfs/dbraw/zinc/26/62/20/520266220.db2.gz UPZVWCPNYDZWPJ-UHFFFAOYSA-N 1 0 360.414 2.906 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C1CCN(c2cccnn2)CC1 ZINC000595048908 520269369 /nfs/dbraw/zinc/26/93/69/520269369.db2.gz SMYAVNYLQGBMPC-ZDUSSCGKSA-N 1 0 357.414 2.713 20 5 FFBDRO CC(=O)NCc1ccc(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000595061562 520274065 /nfs/dbraw/zinc/27/40/65/520274065.db2.gz RHDIYWPCANMQHF-QZTJIDSGSA-N 1 0 371.441 2.701 20 5 FFBDRO COc1ccc(N2C[C@@H]([NH2+][C@@H]3CCc4c3cccc4[N+](=O)[O-])CC2=O)cc1 ZINC000595077982 520282535 /nfs/dbraw/zinc/28/25/35/520282535.db2.gz MHZNMWFPINFPJW-SCLBCKFNSA-N 1 0 367.405 2.986 20 5 FFBDRO Cn1cc(C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000597859836 520285635 /nfs/dbraw/zinc/28/56/35/520285635.db2.gz YWNRNMBXZLQLJQ-OAHLLOKOSA-N 1 0 371.441 2.598 20 5 FFBDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000609346756 520289823 /nfs/dbraw/zinc/28/98/23/520289823.db2.gz OROBMDCDUSDMPP-GASCZTMLSA-N 1 0 358.442 2.929 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)c1C ZINC000609353278 520292639 /nfs/dbraw/zinc/29/26/39/520292639.db2.gz VORHURLLYAAZBK-ZIAGYGMSSA-N 1 0 369.487 2.753 20 5 FFBDRO COc1cc(C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc([N+](=O)[O-])c1C ZINC000592255994 520293948 /nfs/dbraw/zinc/29/39/48/520293948.db2.gz VRNYEQHILDRVBC-GJZGRUSLSA-N 1 0 361.442 2.764 20 5 FFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)cc1 ZINC000613063885 520297314 /nfs/dbraw/zinc/29/73/14/520297314.db2.gz GOGMRHIJWURMHK-CTNGQTDRSA-N 1 0 369.465 2.610 20 5 FFBDRO CC(C)[NH2+][C@H]1CCCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000609385555 520300078 /nfs/dbraw/zinc/30/00/78/520300078.db2.gz AXBNMBMXOLYVSN-ZDUSSCGKSA-N 1 0 354.838 2.649 20 5 FFBDRO C[N@H+](CCNC(=O)NCCOc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000609471184 520323220 /nfs/dbraw/zinc/32/32/20/520323220.db2.gz HQIRNHGUJXSAGR-UHFFFAOYSA-N 1 0 364.446 2.537 20 5 FFBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N[C@H]3CCC[NH2+]CC3)cc2[N+](=O)[O-])C1 ZINC000592329919 520337993 /nfs/dbraw/zinc/33/79/93/520337993.db2.gz CKCOLAFRAFHIDM-UXLLHSPISA-N 1 0 374.485 2.949 20 5 FFBDRO O=C(c1cc([N+](=O)[O-])ccc1SC1CCCC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000592334926 520339041 /nfs/dbraw/zinc/33/90/41/520339041.db2.gz ISOVKBOBILYFQU-BETUJISGSA-N 1 0 361.467 2.921 20 5 FFBDRO CC[C@H]1CN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[C@@H]1[NH3+] ZINC000592332608 520339240 /nfs/dbraw/zinc/33/92/40/520339240.db2.gz NYMRGPDAOCYSMY-FZMZJTMJSA-N 1 0 360.439 2.918 20 5 FFBDRO CCN(C(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CC[N@H+](C)C1 ZINC000597945579 520344997 /nfs/dbraw/zinc/34/49/97/520344997.db2.gz ITDLLUNPUSVAKO-WCQYABFASA-N 1 0 355.822 2.568 20 5 FFBDRO Cc1cc(C(=O)N2CCC[C@H]2c2nc([C@H]3CCC[NH2+]3)no2)ccc1[N+](=O)[O-] ZINC000592356657 520346953 /nfs/dbraw/zinc/34/69/53/520346953.db2.gz CJSNJENVGALMIW-HIFRSBDPSA-N 1 0 371.397 2.688 20 5 FFBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCCC[C@H]2CN2CCOCC2)cc1 ZINC000609541271 520352013 /nfs/dbraw/zinc/35/20/13/520352013.db2.gz YYIGCSGQYJXLCJ-SFHVURJKSA-N 1 0 363.458 2.550 20 5 FFBDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000609545879 520352788 /nfs/dbraw/zinc/35/27/88/520352788.db2.gz QZCVDDBAURIGFN-CQSZACIVSA-N 1 0 369.487 2.774 20 5 FFBDRO [NH3+][C@@H]1CN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC[C@@H]1c1ccccc1 ZINC000595220156 520355217 /nfs/dbraw/zinc/35/52/17/520355217.db2.gz GFVQPURAPOYVRR-IAGOWNOFSA-N 1 0 368.437 2.740 20 5 FFBDRO C[C@@H](NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)C1CC[NH+](C)CC1 ZINC000609583466 520366542 /nfs/dbraw/zinc/36/65/42/520366542.db2.gz KCIWJPMQFYGMCW-OLZOCXBDSA-N 1 0 351.472 2.922 20 5 FFBDRO COc1ccc(OCC[N@@H+]2CC[C@H](Cc3ccncc3)C2)c([N+](=O)[O-])c1 ZINC000613178715 520371815 /nfs/dbraw/zinc/37/18/15/520371815.db2.gz WDYATMKAUVBNRW-MRXNPFEDSA-N 1 0 357.410 2.942 20 5 FFBDRO [NH3+]C[C@@H]1CCCc2ccc(C(=O)NCCOc3ccc([N+](=O)[O-])cc3)cc21 ZINC000595254163 520373306 /nfs/dbraw/zinc/37/33/06/520373306.db2.gz UVRQFHLNHXCSAF-INIZCTEOSA-N 1 0 369.421 2.782 20 5 FFBDRO C[C@@H]1CCCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)[C@@H]1CCC[NH3+] ZINC000595258471 520376395 /nfs/dbraw/zinc/37/63/95/520376395.db2.gz NGFFZSIMBGCKRP-GDBMZVCRSA-N 1 0 371.441 2.760 20 5 FFBDRO COc1cc(CN2CCC(C)([NH3+])CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000592431630 520388557 /nfs/dbraw/zinc/38/85/57/520388557.db2.gz RKZWGYOBEKSQSC-UHFFFAOYSA-N 1 0 359.373 2.561 20 5 FFBDRO Cc1cc(S(=O)(=O)NCCC[N@@H+](C)C2CCCCC2)ccc1[N+](=O)[O-] ZINC000609657907 520396244 /nfs/dbraw/zinc/39/62/44/520396244.db2.gz QTWVBCFCHXINDW-UHFFFAOYSA-N 1 0 369.487 2.836 20 5 FFBDRO O=C(CN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000592476027 520405421 /nfs/dbraw/zinc/40/54/21/520405421.db2.gz LPJUCLDLOUUNAY-JSGCOSHPSA-N 1 0 366.849 2.651 20 5 FFBDRO Cc1cc(C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)cc([N+](=O)[O-])c1 ZINC000598062849 520406322 /nfs/dbraw/zinc/40/63/22/520406322.db2.gz XLRFGHUIRKHFKN-UHFFFAOYSA-N 1 0 368.437 2.940 20 5 FFBDRO C[C@H](c1ccccc1)[C@H](CO)[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000609708078 520410712 /nfs/dbraw/zinc/41/07/12/520410712.db2.gz CIYDBIJSENUXIE-ACJLOTCBSA-N 1 0 358.394 2.716 20 5 FFBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592554627 520453798 /nfs/dbraw/zinc/45/37/98/520453798.db2.gz LIZJKCGNFKCALO-LSDHHAIUSA-N 1 0 363.483 2.925 20 5 FFBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592554168 520453810 /nfs/dbraw/zinc/45/38/10/520453810.db2.gz FMPCDGWFPXNQAI-HZPDHXFCSA-N 1 0 361.442 2.602 20 5 FFBDRO COc1cccc([C@@H](CNc2ncnc3ccc([N+](=O)[O-])cc32)[NH+](C)C)c1 ZINC000609849597 520456683 /nfs/dbraw/zinc/45/66/83/520456683.db2.gz RBUUOYCVYZMYLE-GOSISDBHSA-N 1 0 367.409 2.683 20 5 FFBDRO COc1ccc(C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000604181616 520472181 /nfs/dbraw/zinc/47/21/81/520472181.db2.gz RDKUWSQXKUKRND-MRXNPFEDSA-N 1 0 361.373 2.775 20 5 FFBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000595467032 520491415 /nfs/dbraw/zinc/49/14/15/520491415.db2.gz WZHCPFQSQPHATL-LJQANCHMSA-N 1 0 368.437 2.711 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(CN2CCC[C@H]([NH+]3CCOCC3)CC2)c(F)c1 ZINC000595471695 520493549 /nfs/dbraw/zinc/49/35/49/520493549.db2.gz DCKRIVXZOTXCFC-ZDUSSCGKSA-N 1 0 355.385 2.560 20 5 FFBDRO Cc1cc(OCC(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000598220068 520501101 /nfs/dbraw/zinc/50/11/01/520501101.db2.gz OUSFSLOWGRWPMK-OAHLLOKOSA-N 1 0 361.442 2.805 20 5 FFBDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000598261441 520525653 /nfs/dbraw/zinc/52/56/53/520525653.db2.gz FLULJWNVFZFRDO-OAHLLOKOSA-N 1 0 371.441 2.631 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)C[C@@H]1C ZINC000610135392 520554640 /nfs/dbraw/zinc/55/46/40/520554640.db2.gz RADXFTVMNWARDZ-ZFWWWQNUSA-N 1 0 369.487 2.705 20 5 FFBDRO COc1cccc([C@@H](CNC(=O)c2c(F)cccc2[N+](=O)[O-])[NH+](C)C)c1 ZINC000600966845 520562584 /nfs/dbraw/zinc/56/25/84/520562584.db2.gz UMQPTLFUOCHGCS-MRXNPFEDSA-N 1 0 361.373 2.775 20 5 FFBDRO Cc1ccc(CNC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000610162185 520564612 /nfs/dbraw/zinc/56/46/12/520564612.db2.gz FWMAWSFKENIJMA-FQEVSTJZSA-N 1 0 355.438 2.630 20 5 FFBDRO CCC[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000598341460 520564713 /nfs/dbraw/zinc/56/47/13/520564713.db2.gz BZXRNBKORAMFIP-JTQLQIEISA-N 1 0 356.220 2.571 20 5 FFBDRO CCC[N@@H+]1CC[C@H](NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000598342466 520566293 /nfs/dbraw/zinc/56/62/93/520566293.db2.gz NPOZNSVIIWDZIH-ZDUSSCGKSA-N 1 0 360.439 2.932 20 5 FFBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+](CCOCCO)C2CCC2)c1 ZINC000595596521 520580489 /nfs/dbraw/zinc/58/04/89/520580489.db2.gz NIHZJZZJJKKGHE-UHFFFAOYSA-N 1 0 362.348 2.977 20 5 FFBDRO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1c(F)cccc1[N+](=O)[O-] ZINC000600993863 520580953 /nfs/dbraw/zinc/58/09/53/520580953.db2.gz ONLFXIGVBFUBQS-UHFFFAOYSA-N 1 0 357.385 2.912 20 5 FFBDRO CCOc1cc(C(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000604561617 520606485 /nfs/dbraw/zinc/60/64/85/520606485.db2.gz NOJFVKQMJFWNRO-CYBMUJFWSA-N 1 0 365.430 2.605 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC2(CCC2)OC[C@@H]1C ZINC000595680528 520644804 /nfs/dbraw/zinc/64/48/04/520644804.db2.gz IKMHYSNSIIXDQH-ZDUSSCGKSA-N 1 0 363.414 2.575 20 5 FFBDRO O=C(N[C@@H]1CC[NH2+]C12CCCC2)c1ccc(Br)cc1[N+](=O)[O-] ZINC000592952500 520659949 /nfs/dbraw/zinc/65/99/49/520659949.db2.gz IEVXQAJPLXPIAF-CYBMUJFWSA-N 1 0 368.231 2.762 20 5 FFBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2c(F)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000601183149 520676185 /nfs/dbraw/zinc/67/61/85/520676185.db2.gz AGGBSJPQMMNTLM-DZGCQCFKSA-N 1 0 367.421 2.601 20 5 FFBDRO COc1cc(C[NH+]2C[C@H](C)C(O)[C@@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000595743818 520691357 /nfs/dbraw/zinc/69/13/57/520691357.db2.gz RVUQHGYOGUYCMH-QWRGUYRKSA-N 1 0 374.384 2.696 20 5 FFBDRO CCC[N@@H+]1CC[C@H](NC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000595801031 520735471 /nfs/dbraw/zinc/73/54/71/520735471.db2.gz VPZARTFIKBNQEY-IRXDYDNUSA-N 1 0 360.458 2.968 20 5 FFBDRO COC(=O)c1cc(C[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)n2c1CCCC2 ZINC000598631832 520753327 /nfs/dbraw/zinc/75/33/27/520753327.db2.gz YXQQIUKQUVAMRG-UHFFFAOYSA-N 1 0 373.409 2.818 20 5 FFBDRO CCC[N@H+](C)CC(C)(C)NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000595871969 520781479 /nfs/dbraw/zinc/78/14/79/520781479.db2.gz AOHKLSMQXNRHNI-UHFFFAOYSA-N 1 0 356.854 2.897 20 5 FFBDRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593158655 520787220 /nfs/dbraw/zinc/78/72/20/520787220.db2.gz CKNWZVOOHIGKEP-UHFFFAOYSA-N 1 0 363.389 2.850 20 5 FFBDRO CC1CCN(c2ccc(C(=O)NC3CC([NH+](C)C)C3)cc2[N+](=O)[O-])CC1 ZINC000598716559 520807695 /nfs/dbraw/zinc/80/76/95/520807695.db2.gz MZPVHVIFMWRXAU-UHFFFAOYSA-N 1 0 360.458 2.654 20 5 FFBDRO [NH3+]C[C@@H]1CCc2ccccc2N1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000595902892 520810070 /nfs/dbraw/zinc/81/00/70/520810070.db2.gz HFUSWUGDCLSLST-AWEZNQCLSA-N 1 0 374.828 2.967 20 5 FFBDRO COc1cc(CN2C[C@@H]3CCC[C@]3([NH3+])C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000598722299 520810401 /nfs/dbraw/zinc/81/04/01/520810401.db2.gz YDXAFFOWOGUOJK-SJCJKPOMSA-N 1 0 371.384 2.561 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2C[C@]34COC[C@@]3(C2)CCCC4)c1 ZINC000595908425 520812852 /nfs/dbraw/zinc/81/28/52/520812852.db2.gz IDJWRFCCRWMWEE-KDURUIRLSA-N 1 0 360.410 2.774 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N2[C@H](C)C[N@H+](C)[C@@H](C)[C@H]2C)cc1SC ZINC000593189136 520813603 /nfs/dbraw/zinc/81/36/03/520813603.db2.gz WEUYUNRQPOQMLO-GRYCIOLGSA-N 1 0 367.471 2.878 20 5 FFBDRO C[C@@H]1[C@H](C)N(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)[C@@H](C)C[N@@H+]1C ZINC000593188802 520813741 /nfs/dbraw/zinc/81/37/41/520813741.db2.gz QBULVCHSGGLTMK-AXFHLTTASA-N 1 0 370.247 2.910 20 5 FFBDRO COCC1([NH2+]CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CCCCC1 ZINC000595910191 520814686 /nfs/dbraw/zinc/81/46/86/520814686.db2.gz RLASGWJEDIHIEN-UHFFFAOYSA-N 1 0 365.430 2.871 20 5 FFBDRO [NH3+]C[C@@H]1CCCc2ccc(C(=O)Nc3n[nH]c4ccc([N+](=O)[O-])cc43)cc21 ZINC000595926365 520828336 /nfs/dbraw/zinc/82/83/36/520828336.db2.gz KSXARXNTVFTPFP-ZDUSSCGKSA-N 1 0 365.393 2.524 20 5 FFBDRO COc1ccc(NC(=O)[C@@H](C)N(C)CCOC(C)(C)C)c([N+](=O)[O-])c1 ZINC000610859767 520877354 /nfs/dbraw/zinc/87/73/54/520877354.db2.gz LYYOSSQMQVVDAD-GFCCVEGCSA-N 1 0 353.419 2.677 20 5 FFBDRO C[C@@H](c1ccccc1)[C@@H](O)C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000596069565 520892427 /nfs/dbraw/zinc/89/24/27/520892427.db2.gz MNWOJZZLWAHUCZ-KSSFIOAISA-N 1 0 357.410 2.678 20 5 FFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CNc2ccccc2C1 ZINC000593317175 520905643 /nfs/dbraw/zinc/90/56/43/520905643.db2.gz RIOINUZVSDSYSR-BBRMVZONSA-N 1 0 354.410 2.938 20 5 FFBDRO CN(c1ccc([N+](=O)[O-])c(C(N)=O)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000596126352 520929509 /nfs/dbraw/zinc/92/95/09/520929509.db2.gz LBRKEQGHIZEUGS-UHFFFAOYSA-N 1 0 368.437 2.795 20 5 FFBDRO COC(=O)c1c(Cl)c(N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000596137768 520935023 /nfs/dbraw/zinc/93/50/23/520935023.db2.gz WIOKWAQVWVFWCU-QWRGUYRKSA-N 1 0 355.822 2.954 20 5 FFBDRO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596150504 520940086 /nfs/dbraw/zinc/94/00/86/520940086.db2.gz CALAZBNDOZAEPV-OAHLLOKOSA-N 1 0 368.437 2.795 20 5 FFBDRO COc1cc(NCCN2CCC([NH+](C)C)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596150070 520940221 /nfs/dbraw/zinc/94/02/21/520940221.db2.gz FDLYJERSOKRHMN-UHFFFAOYSA-N 1 0 356.854 2.695 20 5 FFBDRO Cc1cc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)c([N+](=O)[O-])s1 ZINC000596166718 520946722 /nfs/dbraw/zinc/94/67/22/520946722.db2.gz AXMHZNOSDKDEBC-UHFFFAOYSA-N 1 0 352.504 2.960 20 5 FFBDRO CCC1([NH+](C)C)CCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000601791220 520953814 /nfs/dbraw/zinc/95/38/14/520953814.db2.gz IHKLVSLWKPGDMT-UHFFFAOYSA-N 1 0 358.442 2.951 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H]1c2ccccc2C(=O)N1C ZINC000599000042 520970860 /nfs/dbraw/zinc/97/08/60/520970860.db2.gz RDNAWOWUZJDLDC-KRWDZBQOSA-N 1 0 355.394 2.910 20 5 FFBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593419667 520981064 /nfs/dbraw/zinc/98/10/64/520981064.db2.gz HYOAHERHGMZXEV-MCIONIFRSA-N 1 0 351.422 2.759 20 5 FFBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593419668 520981681 /nfs/dbraw/zinc/98/16/81/520981681.db2.gz HYOAHERHGMZXEV-MGPQQGTHSA-N 1 0 351.422 2.759 20 5 FFBDRO O=[N+]([O-])c1c2ccncc2ccc1N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000599020011 520983345 /nfs/dbraw/zinc/98/33/45/520983345.db2.gz LRFKYXSGBIELGZ-INIZCTEOSA-N 1 0 356.426 2.834 20 5 FFBDRO C[NH+](C)C1CCC2(CC1)CCN(c1ccc([N+](=O)[O-])c(C(N)=O)c1)CC2 ZINC000596255375 520996255 /nfs/dbraw/zinc/99/62/55/520996255.db2.gz OBERBAHPIZNHFZ-UHFFFAOYSA-N 1 0 360.458 2.785 20 5 FFBDRO CC(C)[NH+]1CCN([C@H]2CCN(c3ccc4cnccc4c3[N+](=O)[O-])C2)CC1 ZINC000599055330 521003336 /nfs/dbraw/zinc/00/33/36/521003336.db2.gz DYNFLVPNTCRDMM-KRWDZBQOSA-N 1 0 369.469 2.748 20 5 FFBDRO CCN1CC[NH+](C[C@H](C)CNc2ccnc3cc([N+](=O)[O-])ccc32)CC1 ZINC000593454866 521003897 /nfs/dbraw/zinc/00/38/97/521003897.db2.gz NNEWNIJUYXKQJK-OAHLLOKOSA-N 1 0 357.458 2.829 20 5 FFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CCCN1CC(F)F ZINC000599066150 521010843 /nfs/dbraw/zinc/01/08/43/521010843.db2.gz RJWXALVRZXEBOZ-WFASDCNBSA-N 1 0 370.400 2.631 20 5 FFBDRO CC(C)C[N@H+](C)CCCNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000593479406 521020705 /nfs/dbraw/zinc/02/07/05/521020705.db2.gz DDXHVZVRYFHIBT-UHFFFAOYSA-N 1 0 373.457 2.949 20 5 FFBDRO Cc1c([C@H](C)[NH2+]CC(=O)Nc2ccc3c(c2)OCCO3)cccc1[N+](=O)[O-] ZINC000599087246 521024891 /nfs/dbraw/zinc/02/48/91/521024891.db2.gz GVODCAOPKFWBRV-ZDUSSCGKSA-N 1 0 371.393 2.964 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)nc1-c1ccccc1 ZINC000611181819 521027911 /nfs/dbraw/zinc/02/79/11/521027911.db2.gz KRISLMSWIFWTGK-SJLPKXTDSA-N 1 0 368.437 2.692 20 5 FFBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000611185036 521029093 /nfs/dbraw/zinc/02/90/93/521029093.db2.gz OOVYGDWAERFRHL-PXNSSMCTSA-N 1 0 371.437 2.856 20 5 FFBDRO Cn1c2cc(NC[C@@H]3CC[N@@H+]3C3CCCCC3)c([N+](=O)[O-])cc2n(C)c1=O ZINC000599128379 521045462 /nfs/dbraw/zinc/04/54/62/521045462.db2.gz YVOYOHJSZSEFBL-AWEZNQCLSA-N 1 0 373.457 2.604 20 5 FFBDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000593541461 521063087 /nfs/dbraw/zinc/06/30/87/521063087.db2.gz AXJCBNKSBAOPPA-CQSZACIVSA-N 1 0 351.422 2.761 20 5 FFBDRO CC(C)(C)OC(=O)[C@H]1CCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611274367 521072618 /nfs/dbraw/zinc/07/26/18/521072618.db2.gz HMPWKKVXTRWEGE-LBPRGKRZSA-N 1 0 364.398 2.530 20 5 FFBDRO O=C(NC[C@H]1CCC[N@H+](CC2CC2)C1)Nc1ccc([N+](=O)[O-])cc1F ZINC000596498855 521100337 /nfs/dbraw/zinc/10/03/37/521100337.db2.gz IQNKEGSTJLWMDF-CYBMUJFWSA-N 1 0 350.394 2.977 20 5 FFBDRO CC(C)C[N@H+](C)CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000593616331 521110218 /nfs/dbraw/zinc/11/02/18/521110218.db2.gz KNDSMZUWIRBRKI-UHFFFAOYSA-N 1 0 363.867 2.504 20 5 FFBDRO Cc1cc(N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000596537425 521121980 /nfs/dbraw/zinc/12/19/80/521121980.db2.gz FRKCCELBELLYQO-ZDUSSCGKSA-N 1 0 373.375 2.957 20 5 FFBDRO C[S@](=O)c1ccc(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000618571898 521130115 /nfs/dbraw/zinc/13/01/15/521130115.db2.gz NHHSROLLOHXJJM-RKPUJPDHSA-N 1 0 362.455 2.802 20 5 FFBDRO CCOC(=O)c1ccnc(NC[C@@H]2CCC[N@H+](CC3CC3)C2)c1[N+](=O)[O-] ZINC000596569608 521136415 /nfs/dbraw/zinc/13/64/15/521136415.db2.gz ACCFMCGFSUUTGX-AWEZNQCLSA-N 1 0 362.430 2.700 20 5 FFBDRO O=[N+]([O-])c1cncc(Br)c1NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000596569705 521136988 /nfs/dbraw/zinc/13/69/88/521136988.db2.gz CQZXFQLNJGILRT-LBPRGKRZSA-N 1 0 369.263 2.708 20 5 FFBDRO O=C(N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)C12CCC[NH+](CCC1)C2 ZINC000602108991 521146272 /nfs/dbraw/zinc/14/62/72/521146272.db2.gz WYLWYWLGKCOLKA-UHFFFAOYSA-N 1 0 373.453 2.841 20 5 FFBDRO CC(C)(C)Oc1cc(N2CC[N@H+](CCO)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000614829026 521160215 /nfs/dbraw/zinc/16/02/15/521160215.db2.gz BZZZSUAKLXOTQU-UHFFFAOYSA-N 1 0 351.447 2.665 20 5 FFBDRO Cn1c(=O)ccc2c1CCC[C@H]2[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000593725906 521177725 /nfs/dbraw/zinc/17/77/25/521177725.db2.gz ZERKVPYDFVXMLH-BFYDXBDKSA-N 1 0 371.441 2.641 20 5 FFBDRO CC(C)[NH2+][C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000611521795 521200316 /nfs/dbraw/zinc/20/03/16/521200316.db2.gz NTPLNPYTQQSDAP-NSHDSACASA-N 1 0 357.357 2.799 20 5 FFBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000611522875 521202212 /nfs/dbraw/zinc/20/22/12/521202212.db2.gz IJKGQUPMDJYLFU-HRBLRVMOSA-N 1 0 358.486 2.899 20 5 FFBDRO Nc1cc(N[C@@H](C[NH+]2CCCC2)c2ccccc2)cc(CO)c1[N+](=O)[O-] ZINC000611525178 521203315 /nfs/dbraw/zinc/20/33/15/521203315.db2.gz HQJYINLMQFQLOU-SFHVURJKSA-N 1 0 356.426 2.918 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H](OC(F)F)C1 ZINC000611578668 521231961 /nfs/dbraw/zinc/23/19/61/521231961.db2.gz QXULITQCXLQXFH-ZDUSSCGKSA-N 1 0 357.357 2.935 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000599463104 521240674 /nfs/dbraw/zinc/24/06/74/521240674.db2.gz BXOVMHTULYNHJP-HNNXBMFYSA-N 1 0 367.471 2.507 20 5 FFBDRO C[C@@H](NC(=O)c1c(Br)cccc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000599480901 521248384 /nfs/dbraw/zinc/24/83/84/521248384.db2.gz QGFPFFLKDPAOCT-SNVBAGLBSA-N 1 0 370.247 2.817 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000596787088 521283905 /nfs/dbraw/zinc/28/39/05/521283905.db2.gz DBSMYSRTGNVRNR-OAHLLOKOSA-N 1 0 364.446 2.786 20 5 FFBDRO CCc1ccc(C(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc1[N+](=O)[O-] ZINC000593911562 521286998 /nfs/dbraw/zinc/28/69/98/521286998.db2.gz GTXOYOJZQQNLJG-JZXOWHBKSA-N 1 0 361.442 2.516 20 5 FFBDRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])C2)C1 ZINC000593911557 521287645 /nfs/dbraw/zinc/28/76/45/521287645.db2.gz GOTKOFWOFJBXLW-NORZTCDRSA-N 1 0 367.833 2.607 20 5 FFBDRO C[C@H]1CCCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)[C@@H]1CC[NH3+] ZINC000593914224 521288940 /nfs/dbraw/zinc/28/89/40/521288940.db2.gz BGQXNKQYNHTTHX-GOEBONIOSA-N 1 0 360.458 2.785 20 5 FFBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NCc2ccccc2C[NH2+]C)cc1OC ZINC000593913638 521289334 /nfs/dbraw/zinc/28/93/34/521289334.db2.gz BMPNJTXOYCWQOH-UHFFFAOYSA-N 1 0 373.409 2.652 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000593916286 521291087 /nfs/dbraw/zinc/29/10/87/521291087.db2.gz PJJWKDZJIFENKV-DYEKYZERSA-N 1 0 369.849 2.991 20 5 FFBDRO COC(=O)[C@@](C)(NCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000599651151 521362037 /nfs/dbraw/zinc/36/20/37/521362037.db2.gz HLBHHIAMIPDAES-KHYOSLBOSA-N 1 0 363.458 2.551 20 5 FFBDRO CC[C@H]([NH2+]CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000594042700 521368935 /nfs/dbraw/zinc/36/89/35/521368935.db2.gz NPADUKBAPPVKTP-WMLDXEAASA-N 1 0 365.430 2.869 20 5 FFBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3c(Br)cccc3[N+](=O)[O-])C[C@@H]21 ZINC000602485410 521372762 /nfs/dbraw/zinc/37/27/62/521372762.db2.gz PDORSTAACJTPKU-JBLDHEPKSA-N 1 0 368.231 2.557 20 5 FFBDRO COC(=O)[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC)Cc2ccccc21 ZINC000599670238 521384122 /nfs/dbraw/zinc/38/41/22/521384122.db2.gz HDSVTUHMTFKIFD-KRWDZBQOSA-N 1 0 356.378 2.876 20 5 FFBDRO COc1cc(C[N@@H+]2CC[C@@H]3CC[C@@H](O)[C@@H]32)c([N+](=O)[O-])cc1OCC(F)F ZINC000599684355 521399177 /nfs/dbraw/zinc/39/91/77/521399177.db2.gz NBZCTISSBVSIGZ-MNRXQERYSA-N 1 0 372.368 2.593 20 5 FFBDRO Cc1sc(C(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000602538239 521400482 /nfs/dbraw/zinc/40/04/82/521400482.db2.gz BKYKIFIFXGVFFE-IUCAKERBSA-N 1 0 351.350 2.564 20 5 FFBDRO Cc1sc(C(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000602538237 521401168 /nfs/dbraw/zinc/40/11/68/521401168.db2.gz BKYKIFIFXGVFFE-BDAKNGLRSA-N 1 0 351.350 2.564 20 5 FFBDRO COc1ccc(NC(=O)CC[NH2+][C@@H](C)c2cnccc2C)c([N+](=O)[O-])c1 ZINC000611938878 521401903 /nfs/dbraw/zinc/40/19/03/521401903.db2.gz AVULYUKONLXCQL-ZDUSSCGKSA-N 1 0 358.398 2.986 20 5 FFBDRO COC[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccccc1 ZINC000602543724 521403616 /nfs/dbraw/zinc/40/36/16/521403616.db2.gz FZEGLDYSVNOTQT-SFHVURJKSA-N 1 0 356.426 2.936 20 5 FFBDRO Cc1noc(CCC[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)n1 ZINC000602543080 521404379 /nfs/dbraw/zinc/40/43/79/521404379.db2.gz HFOGVWRMEZHQNQ-UHFFFAOYSA-N 1 0 361.221 2.833 20 5 FFBDRO CS[C@@H](CO)[C@H](C)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602555651 521409090 /nfs/dbraw/zinc/40/90/90/521409090.db2.gz GWJMXVNRCPFMKT-RCOVLWMOSA-N 1 0 355.279 2.621 20 5 FFBDRO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CC[C@H](Cc3ccncc3)C1)OCCO2 ZINC000611983714 521419323 /nfs/dbraw/zinc/41/93/23/521419323.db2.gz CXFBAFAVSKHSNS-OAHLLOKOSA-N 1 0 355.394 2.826 20 5 FFBDRO O=[N+]([O-])c1sc(C[NH2+][C@H]2CCn3ccnc3C2)cc1Br ZINC000602624232 521441772 /nfs/dbraw/zinc/44/17/72/521441772.db2.gz SVCVMCXYEZYQRO-QMMMGPOBSA-N 1 0 357.233 2.720 20 5 FFBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594195336 521461711 /nfs/dbraw/zinc/46/17/11/521461711.db2.gz FWGHRDIXEQXOAH-QZTJIDSGSA-N 1 0 356.426 2.752 20 5 FFBDRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000594197198 521462797 /nfs/dbraw/zinc/46/27/97/521462797.db2.gz AXHSBNSJFXCAKB-IRXDYDNUSA-N 1 0 372.469 2.942 20 5 FFBDRO CS(=O)(=O)CCCC[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602696399 521483777 /nfs/dbraw/zinc/48/37/77/521483777.db2.gz ZBJHSJWLTXTRQM-UHFFFAOYSA-N 1 0 354.350 2.528 20 5 FFBDRO CO[C@@H](C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)[C@@H]1CCOC1 ZINC000602704999 521487700 /nfs/dbraw/zinc/48/77/00/521487700.db2.gz JGWNORXICLPFSJ-KCJUWKMLSA-N 1 0 365.249 2.560 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3CCN(C4CCCCC4)C3)CC2)cn1 ZINC000602710442 521489420 /nfs/dbraw/zinc/48/94/20/521489420.db2.gz LGIIGBGJMJSFCM-KRWDZBQOSA-N 1 0 373.501 2.955 20 5 FFBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597091543 521497439 /nfs/dbraw/zinc/49/74/39/521497439.db2.gz CMJOSTQODKWYCQ-GXFFZTMASA-N 1 0 367.837 2.921 20 5 FFBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C1 ZINC000599829347 521498126 /nfs/dbraw/zinc/49/81/26/521498126.db2.gz FXVBWMTYEQWFEB-CYBMUJFWSA-N 1 0 357.414 2.995 20 5 FFBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)C1 ZINC000597094325 521499182 /nfs/dbraw/zinc/49/91/82/521499182.db2.gz DIQQYYQFLLXKBZ-SNVBAGLBSA-N 1 0 355.826 2.682 20 5 FFBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597093487 521499348 /nfs/dbraw/zinc/49/93/48/521499348.db2.gz WNMLMKJSNWUYQB-JQWIXIFHSA-N 1 0 367.837 2.921 20 5 FFBDRO CC(C)C[NH+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)CC1 ZINC000599830425 521499755 /nfs/dbraw/zinc/49/97/55/521499755.db2.gz HOEVAOZAJFZFSO-UHFFFAOYSA-N 1 0 357.414 2.949 20 5 FFBDRO Nc1c(NC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cc(Cl)cc1[N+](=O)[O-] ZINC000597095382 521501244 /nfs/dbraw/zinc/50/12/44/521501244.db2.gz UTKROOPQPRWJIG-GFCCVEGCSA-N 1 0 367.837 2.923 20 5 FFBDRO Cn1cc(C[NH2+]C2(c3ccc(Cl)cc3)CCOCC2)c([N+](=O)[O-])n1 ZINC000602793015 521535672 /nfs/dbraw/zinc/53/56/72/521535672.db2.gz UTKUOAICXPJFPI-UHFFFAOYSA-N 1 0 350.806 2.777 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(OCc2ccc(F)cc2)CC1 ZINC000602799088 521540709 /nfs/dbraw/zinc/54/07/09/521540709.db2.gz RJCZMNGTOLAHRY-UHFFFAOYSA-N 1 0 362.405 2.920 20 5 FFBDRO COc1cc(C[NH2+]C[C@@H](c2ccnn2C)C(C)C)c([N+](=O)[O-])cc1OC ZINC000615943172 521584394 /nfs/dbraw/zinc/58/43/94/521584394.db2.gz NNNQXUWNPKSOIQ-CQSZACIVSA-N 1 0 362.430 2.875 20 5 FFBDRO Nc1cc(NC2CC[NH+](Cc3ccc(F)cc3)CC2)cc(CO)c1[N+](=O)[O-] ZINC000619570381 521774858 /nfs/dbraw/zinc/77/48/58/521774858.db2.gz FGNAXUGKXLKHCK-UHFFFAOYSA-N 1 0 374.416 2.885 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000619637818 521806300 /nfs/dbraw/zinc/80/63/00/521806300.db2.gz PPJSYUAIAWMCAL-GFCCVEGCSA-N 1 0 350.419 2.845 20 5 FFBDRO C[C@H]1CCC[N@@H+](C(C)(C)CNc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000736267996 598367614 /nfs/dbraw/zinc/36/76/14/598367614.db2.gz VUHPMPIIHYHJMU-LBPRGKRZSA-N 1 0 359.434 2.697 20 5 FFBDRO C[C@H](CNc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000736027062 598676209 /nfs/dbraw/zinc/67/62/09/598676209.db2.gz WNHUJVOSJQGDBX-CYBMUJFWSA-N 1 0 367.413 2.707 20 5 FFBDRO CC(C)C[N@@H+]1CCC[C@@H](CNc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC000820092428 607467576 /nfs/dbraw/zinc/46/75/76/607467576.db2.gz LPIAAYNYARXREY-ZDUSSCGKSA-N 1 0 359.434 2.555 20 5 FFBDRO C[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1cccc(-c2nn[nH]n2)c1 ZINC000824600164 608488312 /nfs/dbraw/zinc/48/83/12/608488312.db2.gz WXBATRFAOWNURC-GFCCVEGCSA-N 1 0 354.370 2.505 20 5 FFBDRO O=[N+]([O-])c1c(Cl)ccnc1N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164721714 720334077 /nfs/dbraw/zinc/33/40/77/720334077.db2.gz DBOXSGZSFROOPK-LSDHHAIUSA-N 1 0 359.817 2.891 20 5 FFBDRO O=[N+]([O-])c1cnc(Cl)cc1N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164727321 720349159 /nfs/dbraw/zinc/34/91/59/720349159.db2.gz SUNFDVAHRDOQTI-UONOGXRCSA-N 1 0 359.817 2.891 20 5 FFBDRO COc1cc(C)nc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)c1[N+](=O)[O-] ZINC001164722584 720374145 /nfs/dbraw/zinc/37/41/45/720374145.db2.gz DOOAIGWTLNLREM-CVEARBPZSA-N 1 0 369.425 2.555 20 5 FFBDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cc([N+](=O)[O-])ccn3)CC[C@@H]21 ZINC001164837834 720509500 /nfs/dbraw/zinc/50/95/00/720509500.db2.gz PNZQHSILARIZJG-SZMVWBNQSA-N 1 0 370.457 2.564 20 5 FFBDRO Cc1cc([N+](=O)[O-])cnc1N1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@H]1C ZINC001164853523 720924359 /nfs/dbraw/zinc/92/43/59/720924359.db2.gz BMGVAFYMRLZDMM-CQSZACIVSA-N 1 0 358.446 2.916 20 5 FFBDRO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2c1ccc2ccc3cccnc3c2n1 ZINC001164926756 721855369 /nfs/dbraw/zinc/85/53/69/721855369.db2.gz JFJNMFVORBXGNZ-OALUTQOASA-N 1 0 361.493 2.998 20 5 FFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCOC1CCSCC1 ZINC000898440104 735361157 /nfs/dbraw/zinc/36/11/57/735361157.db2.gz NPXXIEZAWGDJQT-CYBMUJFWSA-N 1 0 367.471 2.814 20 5 FFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCOC1CCSCC1 ZINC000898439677 735361247 /nfs/dbraw/zinc/36/12/47/735361247.db2.gz KUHJIXAUHDTPFK-ZDUSSCGKSA-N 1 0 367.471 2.814 20 5 FFBDRO CC[C@@H](C(=O)O[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+](CC)CC ZINC000745093538 735398660 /nfs/dbraw/zinc/39/86/60/735398660.db2.gz HKTRYMWKPUUZJD-WFASDCNBSA-N 1 0 351.403 2.585 20 5 FFBDRO Cc1c(C[NH2+][C@H]2CCc3ncc(Br)n3C2)cccc1[N+](=O)[O-] ZINC000898721491 735399175 /nfs/dbraw/zinc/39/91/75/735399175.db2.gz SMTAUBFXWWTDNB-LBPRGKRZSA-N 1 0 365.231 2.967 20 5 FFBDRO CC(C)(C)OC(=O)N[C@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000106867690 728512603 /nfs/dbraw/zinc/51/26/03/728512603.db2.gz IEYPOJUKWDPNAV-ZDUSSCGKSA-N 1 0 351.403 2.573 20 5 FFBDRO CCc1ccc(C(=O)OC[C@H]2C[N@H+](CC(C)C)CCO2)cc1[N+](=O)[O-] ZINC000747119165 735535453 /nfs/dbraw/zinc/53/54/53/735535453.db2.gz RXSIWKIYVHOPET-MRXNPFEDSA-N 1 0 350.415 2.671 20 5 FFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](C2OCCO2)C1 ZINC000170914836 728992102 /nfs/dbraw/zinc/99/21/02/728992102.db2.gz SFGGATKKRHPTTQ-AWEZNQCLSA-N 1 0 350.415 2.967 20 5 FFBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000173638913 729051377 /nfs/dbraw/zinc/05/13/77/729051377.db2.gz UCOMXGQWRGVYJA-AWEZNQCLSA-N 1 0 368.865 2.993 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@@](C)(C[NH3+])CC(C)C)c1 ZINC000193288364 729473768 /nfs/dbraw/zinc/47/37/68/729473768.db2.gz VRRIWLMHZWUZIF-CQSZACIVSA-N 1 0 363.867 2.598 20 5 FFBDRO O=[N+]([O-])c1cc(Br)cc(-c2nc([C@@H]3CCC[NH2+]C3)no2)c1 ZINC000228559984 729549482 /nfs/dbraw/zinc/54/94/82/729549482.db2.gz KPSXYQBOCFOORY-MRVPVSSYSA-N 1 0 353.176 2.874 20 5 FFBDRO O=[N+]([O-])c1cc(Br)cc(-c2nc([C@H]3CCC[NH2+]C3)no2)c1 ZINC000228559991 729549549 /nfs/dbraw/zinc/54/95/49/729549549.db2.gz KPSXYQBOCFOORY-QMMMGPOBSA-N 1 0 353.176 2.874 20 5 FFBDRO CS[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2Cl)C[C@H]1[NH+]1CCCC1 ZINC000860788843 730547615 /nfs/dbraw/zinc/54/76/15/730547615.db2.gz VJZPPTBYDXMMHN-ZIAGYGMSSA-N 1 0 369.874 2.900 20 5 FFBDRO CO[C@@H]1C[N@H+](C)[C@](C)(COC(=O)c2ccc(SC)c([N+](=O)[O-])c2)C1 ZINC000861340487 730600768 /nfs/dbraw/zinc/60/07/68/730600768.db2.gz HYSXHYBICRLLNI-LRDDRELGSA-N 1 0 354.428 2.583 20 5 FFBDRO CO[C@H]1C[N@H+](C)[C@](C)(COC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000861349839 730602998 /nfs/dbraw/zinc/60/29/98/730602998.db2.gz WDWIFXKPTKHWGM-KDOFPFPSSA-N 1 0 350.415 2.984 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000925139036 738481108 /nfs/dbraw/zinc/48/11/08/738481108.db2.gz JDIPKXYXUQBFHD-UKRRQHHQSA-N 1 0 350.444 2.605 20 5 FFBDRO CN1CC[NH+](C2CCN(c3ccc([N+](=O)[O-])cc3C(F)F)CC2)CC1 ZINC000866211487 731041124 /nfs/dbraw/zinc/04/11/24/731041124.db2.gz IKKYPMZMIBBYTA-UHFFFAOYSA-N 1 0 354.401 2.749 20 5 FFBDRO CCOC(=O)N1CCC([NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000866224037 731042047 /nfs/dbraw/zinc/04/20/47/731042047.db2.gz OKLDZUVQHWVYBD-LBPRGKRZSA-N 1 0 353.394 2.875 20 5 FFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCCN1CCCO[C@H](C)C1 ZINC000866347745 731051100 /nfs/dbraw/zinc/05/11/00/731051100.db2.gz JJGPLIOGPRYKTC-HUUCEWRRSA-N 1 0 353.438 2.755 20 5 FFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H](n1cncn1)C(F)(F)F ZINC000866435799 731059949 /nfs/dbraw/zinc/05/99/49/731059949.db2.gz GNPVVITVDMNKET-ZANVPECISA-N 1 0 361.299 2.650 20 5 FFBDRO CSc1ccc(CCNC(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)cc1 ZINC000867976190 731247510 /nfs/dbraw/zinc/24/75/10/731247510.db2.gz WYYPILOODKZOSE-GOSISDBHSA-N 1 0 359.451 2.850 20 5 FFBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC1CCS(=O)(=O)CC1 ZINC000872053028 731724410 /nfs/dbraw/zinc/72/44/10/731724410.db2.gz VZWCIKZZHADSCC-NSHDSACASA-N 1 0 358.485 2.792 20 5 FFBDRO [NH3+]C[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@H]1C(F)(F)F ZINC000873226889 731893052 /nfs/dbraw/zinc/89/30/52/731893052.db2.gz DDOJIXRKWSBQKK-MWLCHTKSSA-N 1 0 369.290 2.765 20 5 FFBDRO C[NH2+]C[C@@H]1CCCCN1C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000926078139 738565594 /nfs/dbraw/zinc/56/55/94/738565594.db2.gz YLMNEEGUTZTTOD-NSHDSACASA-N 1 0 371.235 2.963 20 5 FFBDRO C[C@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)[C@@H](O)c1c(F)cccc1Cl ZINC000877069024 732321114 /nfs/dbraw/zinc/32/11/14/732321114.db2.gz VZWGGCHTNFDPBN-APZOYYTBSA-N 1 0 368.796 2.999 20 5 FFBDRO C[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)C1CC[NH2+]CC1 ZINC000877253228 732336995 /nfs/dbraw/zinc/33/69/95/732336995.db2.gz OXCSFTQVQRXXCE-MRVPVSSYSA-N 1 0 374.210 2.614 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000877355752 732348847 /nfs/dbraw/zinc/34/88/47/732348847.db2.gz BODAARBPIYLINO-RYUDHWBXSA-N 1 0 359.348 2.729 20 5 FFBDRO O=[N+]([O-])c1sc(C[NH2+][C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)cc1Br ZINC000877682705 732413057 /nfs/dbraw/zinc/41/30/57/732413057.db2.gz PGBZRUWCWJLYMH-PSYIXQSTSA-N 1 0 359.245 2.932 20 5 FFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]Cc3ncc(Br)s3)C2)c1 ZINC000877766603 732425626 /nfs/dbraw/zinc/42/56/26/732425626.db2.gz GLFIAQXOHYDXCG-UHFFFAOYSA-N 1 0 358.221 2.504 20 5 FFBDRO O=C(CC[N@@H+]1CCO[C@H](C(F)(F)F)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000880053156 732834131 /nfs/dbraw/zinc/83/41/31/732834131.db2.gz PHKXUYILCXUEGN-ZDUSSCGKSA-N 1 0 361.320 2.577 20 5 FFBDRO O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000881469183 733058635 /nfs/dbraw/zinc/05/86/35/733058635.db2.gz KBXLYYNROFIANB-AWEZNQCLSA-N 1 0 367.833 2.621 20 5 FFBDRO O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000881470336 733059191 /nfs/dbraw/zinc/05/91/91/733059191.db2.gz RMOMPHHBURKCBZ-ZDUSSCGKSA-N 1 0 367.833 2.621 20 5 FFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCc2nnn(C)c2C1 ZINC000927150676 738697240 /nfs/dbraw/zinc/69/72/40/738697240.db2.gz NQWBIEVCBADALU-STQMWFEESA-N 1 0 361.471 2.741 20 5 FFBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1C[C@H](O)C12CCOCC2 ZINC000927155775 738698042 /nfs/dbraw/zinc/69/80/42/738698042.db2.gz XJBQTCNMHFZXIR-XZJROXQQSA-N 1 0 352.456 2.897 20 5 FFBDRO C[C@H]1CN(c2ncnc3sc([N+](=O)[O-])cc32)CCN1c1cc[nH+]cc1 ZINC000882821039 733299311 /nfs/dbraw/zinc/29/93/11/733299311.db2.gz JDCDXLCRUKZDDA-NSHDSACASA-N 1 0 356.411 2.710 20 5 FFBDRO Cc1cc(Cl)c(C(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)cc1[N+](=O)[O-] ZINC000885886582 733726106 /nfs/dbraw/zinc/72/61/06/733726106.db2.gz ZLZAOTJEEKIRPA-ZDUSSCGKSA-N 1 0 367.833 2.540 20 5 FFBDRO CCOc1cc(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000888834676 734103766 /nfs/dbraw/zinc/10/37/66/734103766.db2.gz NIEWIYQRLGJVBB-TZMCWYRMSA-N 1 0 350.419 2.940 20 5 FFBDRO CC(C)(C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000928095258 738821600 /nfs/dbraw/zinc/82/16/00/738821600.db2.gz NRZXRWZAGSHEPF-JKSUJKDBSA-N 1 0 363.483 2.568 20 5 FFBDRO COc1c(O)ccc(C[NH2+]C[C@H](c2ccsc2)N(C)C)c1[N+](=O)[O-] ZINC000892507806 734567682 /nfs/dbraw/zinc/56/76/82/734567682.db2.gz CGAVTDTVDGPGKO-CYBMUJFWSA-N 1 0 351.428 2.763 20 5 FFBDRO CC[S@](=O)CC[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000733900123 734857616 /nfs/dbraw/zinc/85/76/16/734857616.db2.gz IISOZENGCIFRQQ-DEOSSOPVSA-N 1 0 352.412 2.722 20 5 FFBDRO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000736093917 734975964 /nfs/dbraw/zinc/97/59/64/734975964.db2.gz ZFTGLPYYIPXYGY-MRXNPFEDSA-N 1 0 367.833 2.621 20 5 FFBDRO C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000895276164 734985777 /nfs/dbraw/zinc/98/57/77/734985777.db2.gz UWWVPEAILFLHRX-LBPRGKRZSA-N 1 0 360.801 2.994 20 5 FFBDRO C[C@H]1[C@H](NC(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)CC[N@@H+]1C ZINC000928431776 738868367 /nfs/dbraw/zinc/86/83/67/738868367.db2.gz OJTVZHCEBCXKIQ-IMTBSYHQSA-N 1 0 350.177 2.863 20 5 FFBDRO CO[C@H](C[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])C1CCOCC1 ZINC000895611180 735031873 /nfs/dbraw/zinc/03/18/73/735031873.db2.gz SKBLJKFWSJSRSX-OAHLLOKOSA-N 1 0 373.247 2.889 20 5 FFBDRO CS(=O)(=O)C1CCC(C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000896250728 735125549 /nfs/dbraw/zinc/12/55/49/735125549.db2.gz RURFQDXRKFVVEQ-UHFFFAOYSA-N 1 0 360.863 2.941 20 5 FFBDRO CC[C@@](O)(CCC(F)(F)F)C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000897519923 735242049 /nfs/dbraw/zinc/24/20/49/735242049.db2.gz XEIHYJLOGDKHHF-GCZXYKMCSA-N 1 0 350.341 2.568 20 5 FFBDRO CCOC(=O)c1cc([N+](=O)[O-])c(N(C)CC[NH+](C)C)cc1Br ZINC000749096493 735694211 /nfs/dbraw/zinc/69/42/11/735694211.db2.gz DNABZVLKHXUAAQ-UHFFFAOYSA-N 1 0 374.235 2.532 20 5 FFBDRO COc1cc([C@@H](C)[NH2+]CC(C)(C)[C@@]2(O)CCCOC2)cc([N+](=O)[O-])c1 ZINC000903203678 736054547 /nfs/dbraw/zinc/05/45/47/736054547.db2.gz MZGFYCDGGNPCHE-FZKQIMNGSA-N 1 0 352.431 2.822 20 5 FFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC[C@@H]1CC(=O)N(C)C1 ZINC000903216236 736056874 /nfs/dbraw/zinc/05/68/74/736056874.db2.gz XJCMARMKIAHMAI-ZIAGYGMSSA-N 1 0 351.472 2.924 20 5 FFBDRO CSC1CCC(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000905508906 736348394 /nfs/dbraw/zinc/34/83/94/736348394.db2.gz MKZBOPRZRUXKCZ-UHFFFAOYSA-N 1 0 372.512 2.880 20 5 FFBDRO CS[C@@H]1CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000758790067 736521224 /nfs/dbraw/zinc/52/12/24/736521224.db2.gz FVIFAYDQCBUTDZ-HUUCEWRRSA-N 1 0 369.874 2.900 20 5 FFBDRO C[NH+](C)[C@@]1(CNC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)CCSC1 ZINC000906902501 736557674 /nfs/dbraw/zinc/55/76/74/736557674.db2.gz RSHFIIWDMZZBQJ-MRXNPFEDSA-N 1 0 371.890 2.734 20 5 FFBDRO COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000761507847 736741391 /nfs/dbraw/zinc/74/13/91/736741391.db2.gz ZDAUBYQAZIHWLU-OCCSQVGLSA-N 1 0 369.849 2.611 20 5 FFBDRO C[C@@H]1C[N@H+](CCCNC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCCO1 ZINC000763677226 736958734 /nfs/dbraw/zinc/95/87/34/736958734.db2.gz VXGGOUJJYGSXMZ-GFCCVEGCSA-N 1 0 370.837 2.871 20 5 FFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@](C)(O)c1cccs1 ZINC000766114993 737196377 /nfs/dbraw/zinc/19/63/77/737196377.db2.gz IAFWHOUMBMIRED-SJKOYZFVSA-N 1 0 363.439 2.871 20 5 FFBDRO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)N(C1CC1)C1CC[NH2+]CC1 ZINC000911679279 737223167 /nfs/dbraw/zinc/22/31/67/737223167.db2.gz XYHVLTHXLHYYRW-UHFFFAOYSA-N 1 0 351.834 2.924 20 5 FFBDRO C[NH+](C)C1(C)CCN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000913394466 737398613 /nfs/dbraw/zinc/39/86/13/737398613.db2.gz XZCPJVRCKUYVEU-UHFFFAOYSA-N 1 0 357.357 2.753 20 5 FFBDRO CC(C)[C@@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[NH+]1CCC(C)CC1 ZINC000915221700 737616180 /nfs/dbraw/zinc/61/61/80/737616180.db2.gz HQFNXFRHGLIUOU-QGZVFWFLSA-N 1 0 369.487 2.630 20 5 FFBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](C[C@@H]3CCCO3)CC2)c([N+](=O)[O-])c1 ZINC000917063959 737738855 /nfs/dbraw/zinc/73/88/55/737738855.db2.gz FLPUUQKFCQQCQR-AWEZNQCLSA-N 1 0 350.375 2.558 20 5 FFBDRO CC[NH+](CC)CCOC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000772185929 737794060 /nfs/dbraw/zinc/79/40/60/737794060.db2.gz KHMRZIHNVRFGMY-UHFFFAOYSA-N 1 0 359.220 2.785 20 5 FFBDRO COC(=O)[C@@H](C)C[N@H+](Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21)C1CC1 ZINC000774628375 738007027 /nfs/dbraw/zinc/00/70/27/738007027.db2.gz UNDXNUXDJLHEJG-JTQLQIEISA-N 1 0 366.805 2.829 20 5 FFBDRO COc1cc(C[NH2+]C[C@@H]2CC[C@H](C(F)(F)F)O2)c([N+](=O)[O-])cc1OC ZINC000922461233 738148999 /nfs/dbraw/zinc/14/89/99/738148999.db2.gz KJMSYBJWUBWGSK-IINYFYTJSA-N 1 0 364.320 2.812 20 5 FFBDRO O=C(N1CC[C@@H]([NH+]2CCCCC2)C1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778260023 738367351 /nfs/dbraw/zinc/36/73/51/738367351.db2.gz GETGTFOHMOVKBK-OAHLLOKOSA-N 1 0 353.369 2.773 20 5 FFBDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1c1nc2ccc([N+](=O)[O-])cc2s1 ZINC000784669621 738911448 /nfs/dbraw/zinc/91/14/48/738911448.db2.gz VRVZYPPNFYDFQO-GFCCVEGCSA-N 1 0 362.455 2.894 20 5 FFBDRO CN(CCc1cnccn1)Cc1cc([N+](=O)[O-])ccc1Br ZINC000930169944 739068110 /nfs/dbraw/zinc/06/81/10/739068110.db2.gz OABXAUFERXKARE-UHFFFAOYSA-N 1 0 351.204 2.822 20 5 FFBDRO C[C@H](CNC(=O)OC(C)(C)C)C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788673298 739270783 /nfs/dbraw/zinc/27/07/83/739270783.db2.gz VMKLCVCFYDGIJV-NWDGAFQWSA-N 1 0 352.435 2.988 20 5 FFBDRO C[C@]1([C@@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C2)COC(=O)N1 ZINC000932020609 739374615 /nfs/dbraw/zinc/37/46/15/739374615.db2.gz IJRGEPFFXPYHCJ-MLGOLLRUSA-N 1 0 353.806 2.959 20 5 FFBDRO CC[NH+]1CCC(N(C)C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000791126391 739531244 /nfs/dbraw/zinc/53/12/44/739531244.db2.gz HEZQVTBRPOUKMU-UHFFFAOYSA-N 1 0 357.813 2.873 20 5 FFBDRO COc1ccc(NC(=O)CC[N@@H+]2CCCSC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000934299081 739762365 /nfs/dbraw/zinc/76/23/65/739762365.db2.gz CCPXVGZCTYMEPJ-LBPRGKRZSA-N 1 0 353.444 2.759 20 5 FFBDRO CN(CC1([NH+](C)C)CCC1)C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC000935556935 739971724 /nfs/dbraw/zinc/97/17/24/739971724.db2.gz PWLOWVVSYXCEKB-UHFFFAOYSA-N 1 0 358.801 2.526 20 5 FFBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)NCC1(SC)CC[NH+](C)CC1 ZINC000936042738 740050024 /nfs/dbraw/zinc/05/00/24/740050024.db2.gz RVHRGRRZUUEFCV-UHFFFAOYSA-N 1 0 369.512 2.874 20 5 FFBDRO COC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000797520940 740253286 /nfs/dbraw/zinc/25/32/86/740253286.db2.gz RAKWBEJYTQQTDD-OCCSQVGLSA-N 1 0 351.403 2.560 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H](CCO)c2ccc(Cl)cc2)cc1 ZINC000805821694 741014048 /nfs/dbraw/zinc/01/40/48/741014048.db2.gz MGSIHPOPHPTYNA-IAGOWNOFSA-N 1 0 350.802 2.995 20 5 FFBDRO COc1ccc(C[NH2+]C2CC(NC(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000809611132 741321651 /nfs/dbraw/zinc/32/16/51/741321651.db2.gz SESKZZYLMHUQDU-UHFFFAOYSA-N 1 0 351.403 2.749 20 5 FFBDRO CSC1(CNC(=O)c2cc([N+](=O)[O-])cc(C)c2F)CC[NH+](C)CC1 ZINC000813281972 741699012 /nfs/dbraw/zinc/69/90/12/741699012.db2.gz MQBWBPVKAXZCNL-UHFFFAOYSA-N 1 0 355.435 2.600 20 5 FFBDRO CN(C)C(=O)OC1CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000815187548 741909888 /nfs/dbraw/zinc/90/98/88/741909888.db2.gz FOORENXVZGAIFT-UHFFFAOYSA-N 1 0 351.403 2.526 20 5 FFBDRO Cc1cc(Cl)ccc1C[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000997767612 742024781 /nfs/dbraw/zinc/02/47/81/742024781.db2.gz INQRRHKUVFVJRX-IAGOWNOFSA-N 1 0 365.861 2.642 20 5 FFBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000817676529 742195157 /nfs/dbraw/zinc/19/51/57/742195157.db2.gz IMHOTVUBXUYUMU-SNVBAGLBSA-N 1 0 374.210 2.663 20 5 FFBDRO Cc1ccc(C[NH+]2CCC(N(C)C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c(Cl)c1 ZINC001005381450 742253506 /nfs/dbraw/zinc/25/35/06/742253506.db2.gz KQVCUTCOQJEEMU-NVXWUHKLSA-N 1 0 365.861 2.736 20 5 FFBDRO CC[C@@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)NC(=O)OC(C)(C)C ZINC000819340927 742378196 /nfs/dbraw/zinc/37/81/96/742378196.db2.gz AUKXPTZJXJNUJZ-ZFWWWQNUSA-N 1 0 353.419 2.521 20 5 FFBDRO C[C@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819341593 742378426 /nfs/dbraw/zinc/37/84/26/742378426.db2.gz JXPIPYOYCBYNQV-HUBLWGQQSA-N 1 0 353.419 2.520 20 5 FFBDRO O=[N+]([O-])c1c(Br)cccc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000820670657 742534126 /nfs/dbraw/zinc/53/41/26/742534126.db2.gz UJTDMCMQVTVESR-LBPRGKRZSA-N 1 0 370.247 2.516 20 5 FFBDRO CN(C)CC[N@H+](C)CCCN(C)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000821513399 742636819 /nfs/dbraw/zinc/63/68/19/742636819.db2.gz OCHPMLCXCIWPPX-UHFFFAOYSA-N 1 0 371.869 2.595 20 5 FFBDRO C[C@@H](CCNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)[NH+](C)C ZINC000822139489 742702307 /nfs/dbraw/zinc/70/23/07/742702307.db2.gz PUOJINKXAMOQDW-VIFPVBQESA-N 1 0 359.224 2.819 20 5 FFBDRO Cn1nccc1[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CCO1 ZINC000825045813 743201193 /nfs/dbraw/zinc/20/11/93/743201193.db2.gz LUPONOVVJDOVTI-WBMJQRKESA-N 1 0 350.806 2.992 20 5 FFBDRO Cc1cc(Cl)c(C(=O)Nc2ccn(CC[NH+](C)C)n2)cc1[N+](=O)[O-] ZINC000825644115 743305406 /nfs/dbraw/zinc/30/54/06/743305406.db2.gz UDNMHBRMIXGNSM-UHFFFAOYSA-N 1 0 351.794 2.567 20 5 FFBDRO C[N@@H+]1CC[C@H]2CN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3)CC[C@H]21 ZINC000827300396 743551519 /nfs/dbraw/zinc/55/15/19/743551519.db2.gz MQXLNXZWLBHPBT-IINYFYTJSA-N 1 0 368.231 2.524 20 5 FFBDRO C[N@@H+]1CC[C@H]2CN(C(=O)c3ccc(Br)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000827311619 743553951 /nfs/dbraw/zinc/55/39/51/743553951.db2.gz QJMKOMBBXAGOKU-GWCFXTLKSA-N 1 0 368.231 2.524 20 5 FFBDRO CN(C)C(=O)O[C@H]1CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000830573796 745384201 /nfs/dbraw/zinc/38/42/01/745384201.db2.gz CDDCUHHYAUZDST-INIZCTEOSA-N 1 0 351.403 2.526 20 5 FFBDRO C[N@@H+](Cc1ccccc1)C[C@H](O)COc1ccc([N+](=O)[O-])c(F)c1F ZINC000834388039 745829273 /nfs/dbraw/zinc/82/92/73/745829273.db2.gz ODUCPGSHIWVAQD-ZDUSSCGKSA-N 1 0 352.337 2.745 20 5 FFBDRO CC[C@H]1C[N@H+](C)CCN1C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000836477788 746233740 /nfs/dbraw/zinc/23/37/40/746233740.db2.gz QBERNSDFWPQIAX-NSHDSACASA-N 1 0 371.235 2.915 20 5 FFBDRO CC(C)(C[NH+]1CCCC1)NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000837179362 746386266 /nfs/dbraw/zinc/38/62/66/746386266.db2.gz VAOVABXGSZIBRW-UHFFFAOYSA-N 1 0 357.813 2.920 20 5 FFBDRO CC[C@H]1C[N@H+](CC)CCN1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000838513980 746655498 /nfs/dbraw/zinc/65/54/98/746655498.db2.gz RIXMHIGDYIIDEA-ZDUSSCGKSA-N 1 0 354.838 2.874 20 5 FFBDRO CC(=O)NC[C@@H]1CCCN(Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000839470532 746833515 /nfs/dbraw/zinc/83/35/15/746833515.db2.gz PNZIQWBZOJRLCX-LBPRGKRZSA-N 1 0 370.247 2.705 20 5 FFBDRO CC(C)[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C1(CO)CCC1 ZINC000839609993 746870617 /nfs/dbraw/zinc/87/06/17/746870617.db2.gz YWJBTJDXPMLDBY-MRXNPFEDSA-N 1 0 369.849 2.964 20 5 FFBDRO Cc1c(CO)cc([N+](=O)[O-])c(NCCCC[N@@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000840315679 747062514 /nfs/dbraw/zinc/06/25/14/747062514.db2.gz BNIHGSUHPMZLQV-UHFFFAOYSA-N 1 0 352.391 2.590 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]Cc2cccc3c2OC(F)(F)O3)cc1 ZINC000840893676 747216353 /nfs/dbraw/zinc/21/63/53/747216353.db2.gz KVPCYLGHZGRLST-CYBMUJFWSA-N 1 0 352.293 2.740 20 5 FFBDRO [NH3+][C@H]1CCO[C@@H](C2CCN(Cc3cc([N+](=O)[O-])ccc3Cl)CC2)C1 ZINC000841103850 747270221 /nfs/dbraw/zinc/27/02/21/747270221.db2.gz KXLXPKNBUSFDJK-WMLDXEAASA-N 1 0 353.850 2.967 20 5 FFBDRO CC1(C)C[NH2+]CC[C@H]1NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841160707 747283657 /nfs/dbraw/zinc/28/36/57/747283657.db2.gz FLWCOCPWJXSOLT-GFCCVEGCSA-N 1 0 371.235 2.867 20 5 FFBDRO [NH3+]C1CCC(NC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000841160666 747283742 /nfs/dbraw/zinc/28/37/42/747283742.db2.gz DIQYOVIKHMNAOB-UHFFFAOYSA-N 1 0 357.208 2.749 20 5 FFBDRO [NH3+]C[C@H]1CCCN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000841162613 747285464 /nfs/dbraw/zinc/28/54/64/747285464.db2.gz XYCDLSXSWPLRBM-SECBINFHSA-N 1 0 357.208 2.560 20 5 FFBDRO C[C@@H](C[NH+](C)C)NC(=O)N[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC000841765269 747453610 /nfs/dbraw/zinc/45/36/10/747453610.db2.gz WXGPKFPGBGOKLQ-UFBFGSQYSA-N 1 0 366.315 2.587 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@H](O)c2cc(F)cc(Cl)c2)c1 ZINC000843112339 747774529 /nfs/dbraw/zinc/77/45/29/747774529.db2.gz QTZXOILLUGUHEI-CVEARBPZSA-N 1 0 354.765 2.744 20 5 FFBDRO C[C@@H]([NH3+])C1CCN([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000843348371 747814656 /nfs/dbraw/zinc/81/46/56/747814656.db2.gz DWXAWPKTGQQVST-MNOVXSKESA-N 1 0 354.838 2.634 20 5 FFBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC2(C1)CC[NH2+]CC2 ZINC000843364253 747818285 /nfs/dbraw/zinc/81/82/85/747818285.db2.gz WZIWPVSNDJCEEQ-LBPRGKRZSA-N 1 0 366.849 2.651 20 5 FFBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC[C@@H](CC[NH3+])C1 ZINC000843377844 747820801 /nfs/dbraw/zinc/82/08/01/747820801.db2.gz OTRIBGCUPILWDR-NEPJUHHUSA-N 1 0 354.838 2.636 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000843454210 747839430 /nfs/dbraw/zinc/83/94/30/747839430.db2.gz KKFGRKWWVZWXEJ-LBPRGKRZSA-N 1 0 367.833 2.618 20 5 FFBDRO C[N@@H+]1CCCC[C@H]1CN1CCN(c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000845488556 748268351 /nfs/dbraw/zinc/26/83/51/748268351.db2.gz VFTSHTOQQIVJPS-ZDUSSCGKSA-N 1 0 370.856 2.994 20 5 FFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC[S@@](=O)CC(F)(F)F ZINC000850350105 749348839 /nfs/dbraw/zinc/34/88/39/749348839.db2.gz OARJUIAHQNNPGF-GULCCPCXSA-N 1 0 350.362 2.899 20 5 FFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC[S@](=O)CC(F)(F)F ZINC000850350104 749349323 /nfs/dbraw/zinc/34/93/23/749349323.db2.gz OARJUIAHQNNPGF-BVRWQAIYSA-N 1 0 350.362 2.899 20 5 FFBDRO COc1ccc(C[NH2+]C[C@H](O)c2cc(F)c(F)c(F)c2)cc1[N+](=O)[O-] ZINC000850418702 749362418 /nfs/dbraw/zinc/36/24/18/749362418.db2.gz PJUVOKLDOHMMSA-AWEZNQCLSA-N 1 0 356.300 2.844 20 5 FFBDRO CCOC(=O)NC1CCC([NH2+]Cc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000850431415 749363924 /nfs/dbraw/zinc/36/39/24/749363924.db2.gz CYHYSYYQJSWNSQ-UHFFFAOYSA-N 1 0 351.403 2.750 20 5 FFBDRO Cc1c([C@@H](C)[NH2+]CCS(=O)(=O)CC(F)(F)F)cccc1[N+](=O)[O-] ZINC000850518793 749380169 /nfs/dbraw/zinc/38/01/69/749380169.db2.gz IFAWMZXMXBOSOH-SNVBAGLBSA-N 1 0 354.350 2.531 20 5 FFBDRO Cc1noc(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000852036484 749757918 /nfs/dbraw/zinc/75/79/18/749757918.db2.gz YVAUKSOPLDYTMI-JQWIXIFHSA-N 1 0 354.407 2.626 20 5 FFBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000852806812 749959076 /nfs/dbraw/zinc/95/90/76/749959076.db2.gz MIXDRCAIWWVYPJ-UHFFFAOYSA-N 1 0 352.778 2.702 20 5 FFBDRO C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000854568495 750331122 /nfs/dbraw/zinc/33/11/22/750331122.db2.gz BGUDSTHVCZQWIS-GFCCVEGCSA-N 1 0 367.833 2.574 20 5 FFBDRO O=[N+]([O-])c1ccc(Br)cc1NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252565335 845770975 /nfs/dbraw/zinc/77/09/75/845770975.db2.gz YTOONPZCDIWBCI-NWDGAFQWSA-N 1 0 356.220 2.632 20 5 FFBDRO C[NH+](C)C[C@H]1COC2(CCCC2)CN1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000895996084 971142824 /nfs/dbraw/zinc/14/28/24/971142824.db2.gz OIKIFPNYQCMJPK-HNNXBMFYSA-N 1 0 374.441 2.811 20 5 FFBDRO O=[N+]([O-])c1cnc(-n2c3ccc(F)cc3c3c2CC[NH2+]C3)c([N+](=O)[O-])c1 ZINC001167086171 959845335 /nfs/dbraw/zinc/84/53/35/959845335.db2.gz VWMLBRYCRBPUEZ-UHFFFAOYSA-N 1 0 357.301 2.627 20 5 FFBDRO C[NH2+]Cc1cn(-c2nc(C(=O)OC)ccc2[N+](=O)[O-])c2ccc(C)cc12 ZINC001167122379 960189976 /nfs/dbraw/zinc/18/99/76/960189976.db2.gz DKWIGCSYQHQSII-UHFFFAOYSA-N 1 0 354.366 2.748 20 5 FFBDRO COc1ccc(OC)c([C@H](O)[C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2F)c1 ZINC000873196041 1013419619 /nfs/dbraw/zinc/41/96/19/1013419619.db2.gz QNPAJTRTOPZLTG-ADLMAVQZSA-N 1 0 364.373 2.963 20 5 FFBDRO C[C@@H]1C[NH+](Cc2ccc(CNc3c([N+](=O)[O-])cnn3C)cc2)C[C@@H](C)O1 ZINC000891772593 965049518 /nfs/dbraw/zinc/04/95/18/965049518.db2.gz OYPSMYIGLHHDTH-ZIAGYGMSSA-N 1 0 359.430 2.550 20 5 FFBDRO COc1c(O)ccc(CN[C@@H](C[NH+](C)C)c2ccc(F)cc2)c1[N+](=O)[O-] ZINC000894505810 965426338 /nfs/dbraw/zinc/42/63/38/965426338.db2.gz GXUKWGFFOLQFDQ-HNNXBMFYSA-N 1 0 363.389 2.841 20 5 FFBDRO CC(C)(C)c1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cc1 ZINC000983653086 965654544 /nfs/dbraw/zinc/65/45/44/965654544.db2.gz GOOTVOZPDVDMBU-VDHUWJSZSA-N 1 0 359.470 2.634 20 5 FFBDRO C[NH+](C)CC1(O)CCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC1 ZINC000894956464 967119993 /nfs/dbraw/zinc/11/99/93/967119993.db2.gz PLZIHBSGAHRNPC-UHFFFAOYSA-N 1 0 374.416 2.689 20 5 FFBDRO NC(=O)[C@@]1(c2ccccc2)CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000895005298 967151282 /nfs/dbraw/zinc/15/12/82/967151282.db2.gz WYXWEVQTOQVBML-LZVBJTEYSA-N 1 0 351.406 2.737 20 5 FFBDRO O=C(C[NH2+][C@H](CCO)C1CCCC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001176505908 1013718320 /nfs/dbraw/zinc/71/83/20/1013718320.db2.gz WDQNWVRGDDLWAW-CQSZACIVSA-N 1 0 355.822 2.718 20 5 FFBDRO COC[C@@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)c1ccc(C)o1 ZINC000130411376 967706286 /nfs/dbraw/zinc/70/62/86/967706286.db2.gz JZYLDMDSFNVKHV-OAHLLOKOSA-N 1 0 365.361 2.941 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(CN2C[C@]34C[N@H+](C)C[C@@]3(C2)CCCC4)c1 ZINC001177008998 1013828673 /nfs/dbraw/zinc/82/86/73/1013828673.db2.gz UZCUWLRASISELQ-BGYRXZFFSA-N 1 0 373.453 2.689 20 5 FFBDRO COc1cc(C(=O)N2CCN(c3cc[nH+]cc3)C[C@@H]2C)cc([N+](=O)[O-])c1C ZINC000895267117 968873352 /nfs/dbraw/zinc/87/33/52/968873352.db2.gz FNAHXKIHCZKIGX-ZDUSSCGKSA-N 1 0 370.409 2.658 20 5 FFBDRO CCC[N@H+](C)C[C@H]1CCN(c2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])C1 ZINC000892721386 970249238 /nfs/dbraw/zinc/24/92/38/970249238.db2.gz MGWXZGKLWZIVRJ-CQSZACIVSA-N 1 0 358.442 2.615 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H](C3CC3)[C@@H]3CCCOC3)CC2)cn1 ZINC000897082459 973221604 /nfs/dbraw/zinc/22/16/04/973221604.db2.gz SWKLCRUAYMFZKM-DNVCBOLYSA-N 1 0 360.458 2.753 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2csc(N3CC[C@@H]4[C@@H]3CCC[N@H+]4CCO)n2)cc1 ZINC000897219827 973456855 /nfs/dbraw/zinc/45/68/55/973456855.db2.gz OSXYDZICGXNUBY-SJORKVTESA-N 1 0 374.466 2.754 20 5 FFBDRO CC[NH+]1CCN(c2cc(N(C)C(=O)[C@H]3C[C@H]4C[C@H]4C3)cc([N+](=O)[O-])c2)CC1 ZINC000876228586 1014189359 /nfs/dbraw/zinc/18/93/59/1014189359.db2.gz QTRDCUBUJFTOAG-ZSHCYNCHSA-N 1 0 372.469 2.746 20 5 FFBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[N@@H+]1CCCC(C)(C)C1 ZINC001211669855 974575673 /nfs/dbraw/zinc/57/56/73/974575673.db2.gz OJHJBGKQAMDVKN-UHFFFAOYSA-N 1 0 369.487 2.558 20 5 FFBDRO CN1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])c2ccccc2C1 ZINC000728834195 975058412 /nfs/dbraw/zinc/05/84/12/975058412.db2.gz RZYOSKLMPXJEIB-UHFFFAOYSA-N 1 0 355.394 2.842 20 5 FFBDRO C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000876989189 1014441955 /nfs/dbraw/zinc/44/19/55/1014441955.db2.gz RBPSDOSYHQNXIZ-LRVUVFPRSA-N 1 0 358.398 2.834 20 5 FFBDRO COc1ccc(CCC[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)cc1OC ZINC000876985884 1014441375 /nfs/dbraw/zinc/44/13/75/1014441375.db2.gz TZRGWNXAVRZWIW-UHFFFAOYSA-N 1 0 360.414 2.734 20 5 FFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CCc3ccn(-c4ccccc4)n3)C2)c1 ZINC000876994186 1014443526 /nfs/dbraw/zinc/44/35/26/1014443526.db2.gz CKMXXLZPYUTAMC-UHFFFAOYSA-N 1 0 352.398 2.513 20 5 FFBDRO CC(=O)N1CC[C@@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)c2ccccc21 ZINC000877120668 1014480708 /nfs/dbraw/zinc/48/07/08/1014480708.db2.gz LUBCMVNRTKSOOI-MQBCKMQZSA-N 1 0 355.398 2.582 20 5 FFBDRO COc1ccc([C@H](OC)[C@@H](C)[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000877133534 1014483670 /nfs/dbraw/zinc/48/36/70/1014483670.db2.gz JXYRSTRFGYOLOH-UZFJHYNOSA-N 1 0 360.414 2.869 20 5 FFBDRO O=[N+]([O-])c1ccc(O[C@H]2C[NH+]3CCC2CC3)cc1I ZINC001227991557 979082255 /nfs/dbraw/zinc/08/22/55/979082255.db2.gz GSLMQOYUOFZQAH-ZDUSSCGKSA-N 1 0 374.178 2.672 20 5 FFBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N[C@@H]1CCCCC12CC[NH2+]CC2 ZINC000877403398 1014574206 /nfs/dbraw/zinc/57/42/06/1014574206.db2.gz QTGXAYSLFAXGIE-QGZVFWFLSA-N 1 0 361.442 2.792 20 5 FFBDRO CC(C)(O)C[NH+]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000129966418 979566246 /nfs/dbraw/zinc/56/62/46/979566246.db2.gz LWVNUJJCVFAJLL-UHFFFAOYSA-N 1 0 359.426 2.743 20 5 FFBDRO Cc1ccc([C@@H](O)[C@H](C)[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1 ZINC000877517549 1014609392 /nfs/dbraw/zinc/60/93/92/1014609392.db2.gz OFAFPQWEVJZBAW-YWZLYKJASA-N 1 0 370.453 2.979 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[NH2+]CCC12CCOCC2 ZINC000904371276 980258936 /nfs/dbraw/zinc/25/89/36/980258936.db2.gz LJLJCLHPQRRSCR-UHFFFAOYSA-N 1 0 362.430 2.588 20 5 FFBDRO C[C@H](NC(=O)C1CCC([NH+]2CCOCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000908513032 981453032 /nfs/dbraw/zinc/45/30/32/981453032.db2.gz VBMAGEHRWJZHAC-OOHWJJMZSA-N 1 0 361.442 2.663 20 5 FFBDRO Cc1ccc(NC(=O)N2CCC[C@H]([NH2+]C3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000877902453 1014758947 /nfs/dbraw/zinc/75/89/47/1014758947.db2.gz ALGJPAGDRDOAGM-INIZCTEOSA-N 1 0 362.430 2.668 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)OCc1cccc(C[NH+]2CCCCC2)c1 ZINC000910206549 981858486 /nfs/dbraw/zinc/85/84/86/981858486.db2.gz XBKQSBHVJFPDGC-UHFFFAOYSA-N 1 0 372.425 2.829 20 5 FFBDRO COC(=O)c1cc2n(n1)CCC[C@H]2[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000897990883 982585617 /nfs/dbraw/zinc/58/56/17/982585617.db2.gz ZMQRKTCBFRQCOB-CQSZACIVSA-N 1 0 358.398 2.819 20 5 FFBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]Cc1cnc2n1CCOC2 ZINC000898267286 982659942 /nfs/dbraw/zinc/65/99/42/982659942.db2.gz FQGWUPJAGGMGAU-PBHICJAKSA-N 1 0 356.426 2.823 20 5 FFBDRO CCOc1ccccc1[C@H]([NH3+])CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000912184282 983976956 /nfs/dbraw/zinc/97/69/56/983976956.db2.gz XBZFBKDDQJMUNY-MRXNPFEDSA-N 1 0 355.394 2.973 20 5 FFBDRO Cc1c(C(=O)NCCC[N@H+]2CCCC[C@H]2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000060962149 985095491 /nfs/dbraw/zinc/09/54/91/985095491.db2.gz XMKBQXFJKKNOAC-GFCCVEGCSA-N 1 0 364.402 2.806 20 5 FFBDRO COc1cccc(OCC[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000765577689 985206024 /nfs/dbraw/zinc/20/60/24/985206024.db2.gz UKUUKMSXUXUYNT-UHFFFAOYSA-N 1 0 357.410 2.804 20 5 FFBDRO O=C(CC[NH2+][C@H](CCO)C1CCCCC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000130000033 985427055 /nfs/dbraw/zinc/42/70/55/985427055.db2.gz QPPMVFUVXLEOOS-MRXNPFEDSA-N 1 0 367.421 2.983 20 5 FFBDRO CC(C)(C)OCCCN1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000921851761 987251813 /nfs/dbraw/zinc/25/18/13/987251813.db2.gz RJCUCBTYDQIZCK-UHFFFAOYSA-N 1 0 367.421 2.697 20 5 FFBDRO CN(C(=O)C[N@@H+]1CCC[C@@H]1[C@H](O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000879244863 1015435397 /nfs/dbraw/zinc/43/53/97/1015435397.db2.gz UBUWDCXREMWAQX-UYAOXDASSA-N 1 0 369.421 2.756 20 5 FFBDRO Cn1cc(C[NH2+][C@@H]2C[C@H]3OC(C)(C)O[C@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000922876786 988968596 /nfs/dbraw/zinc/96/85/96/988968596.db2.gz ZRMLXPCPPDRWHX-XGBSXSJOSA-N 1 0 372.425 2.767 20 5 FFBDRO CCC(CC)[N@H+](CN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O)C1CC1 ZINC000918179376 990351450 /nfs/dbraw/zinc/35/14/50/990351450.db2.gz OWFAQEKREZDJSV-IBGZPJMESA-N 1 0 374.441 2.972 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H]3C[C@H](O)C34CCOCC4)o2)cc1 ZINC000923022032 990793699 /nfs/dbraw/zinc/79/36/99/990793699.db2.gz VYZAPHBBFBLKFG-ROUUACIJSA-N 1 0 358.394 2.874 20 5 FFBDRO COc1cccc([C@@H](CNC(=O)c2cccc(OC)c2[N+](=O)[O-])[NH+](C)C)c1 ZINC000195335944 990852046 /nfs/dbraw/zinc/85/20/46/990852046.db2.gz OBZXGTCBGGUBTH-MRXNPFEDSA-N 1 0 373.409 2.645 20 5 FFBDRO Cc1cc(C(=O)NCCC[N@@H+](C)Cc2ccccc2)c(N)c([N+](=O)[O-])c1 ZINC000068510798 991455132 /nfs/dbraw/zinc/45/51/32/991455132.db2.gz DXXIRTQTZLZAFJ-UHFFFAOYSA-N 1 0 356.426 2.737 20 5 FFBDRO CC[N@H+](CCc1cccs1)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001485032048 991821506 /nfs/dbraw/zinc/82/15/06/991821506.db2.gz YAGFFHWWYNYXFR-IAGOWNOFSA-N 1 0 365.499 2.516 20 5 FFBDRO Cc1cc(F)ccc1C[NH2+]CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCCC1 ZINC001485450302 991943850 /nfs/dbraw/zinc/94/38/50/991943850.db2.gz GCOKGHKYIBVSBW-IAGOWNOFSA-N 1 0 363.433 2.708 20 5 FFBDRO C[N@@H+]1CC[C@H]2CN(C(=O)Nc3ccc([N+](=O)[O-])c4ccncc34)CC[C@H]21 ZINC000880164944 1015770553 /nfs/dbraw/zinc/77/05/53/1015770553.db2.gz HIQPWPPHTVNWFA-BLLLJJGKSA-N 1 0 355.398 2.701 20 5 FFBDRO CCOC(=O)N1CCC([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000808452773 994122602 /nfs/dbraw/zinc/12/26/02/994122602.db2.gz QEOYISIYBCHNSK-UHFFFAOYSA-N 1 0 360.414 2.829 20 5 FFBDRO O=C(O[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000810852798 994959211 /nfs/dbraw/zinc/95/92/11/994959211.db2.gz RBAKROBBZNQHAC-SJORKVTESA-N 1 0 356.382 2.564 20 5 FFBDRO COc1nc(-n2c(-c3ccccc3)cnc2[C@H](C)[NH3+])nc(C)c1[N+](=O)[O-] ZINC001170680579 995464981 /nfs/dbraw/zinc/46/49/81/995464981.db2.gz ZQRHAEDXPFJNGM-JTQLQIEISA-N 1 0 354.370 2.574 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC001137370119 1015995935 /nfs/dbraw/zinc/99/59/35/1015995935.db2.gz UXUVTMDLOZEDMR-AWEZNQCLSA-N 1 0 367.833 2.575 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@@H](O)Cc3cccc(F)c3)CC2)cc1 ZINC000824501401 996977577 /nfs/dbraw/zinc/97/75/77/996977577.db2.gz JXMVAUPFXBCQJI-FQEVSTJZSA-N 1 0 373.428 2.896 20 5 FFBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccnc(-c4ccccc4)c3[N+](=O)[O-])CC[C@@H]21 ZINC000827268064 1016087200 /nfs/dbraw/zinc/08/72/00/1016087200.db2.gz QFZYCCXORCPEQT-WBVHZDCISA-N 1 0 366.421 2.823 20 5 FFBDRO COc1cc[nH+]c(N2CCN(c3nc4ccc([N+](=O)[O-])cc4s3)CC2)c1 ZINC000731208277 997747394 /nfs/dbraw/zinc/74/73/94/997747394.db2.gz CXVAHRAMVMXDBO-UHFFFAOYSA-N 1 0 371.422 2.935 20 5 FFBDRO C[N@@H+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C(C)(C)C ZINC001144024573 997943855 /nfs/dbraw/zinc/94/38/55/997943855.db2.gz MBALMKPPVICTEP-OAHLLOKOSA-N 1 0 353.850 2.979 20 5 FFBDRO Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)OCCC[NH+]2CCCC2)c1 ZINC000845285464 998466040 /nfs/dbraw/zinc/46/60/40/998466040.db2.gz LIKZPJAGZAXKKS-UHFFFAOYSA-N 1 0 372.425 2.791 20 5 FFBDRO O=C1CCCN1C[C@H]1CCCC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000732213519 998537843 /nfs/dbraw/zinc/53/78/43/998537843.db2.gz WSESPOCJRBWXLS-QGZVFWFLSA-N 1 0 361.442 2.841 20 5 FFBDRO C[C@@H](OC(=O)CC[C@H]1CCCC[N@@H+]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000803855290 1016244937 /nfs/dbraw/zinc/24/49/37/1016244937.db2.gz FIFZPROCHFYMEO-UKRRQHHQSA-N 1 0 363.414 2.730 20 5 FFBDRO C[NH+](C)CC1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])c[nH]3)cc2)CC1 ZINC000737950388 999612605 /nfs/dbraw/zinc/61/26/05/999612605.db2.gz ADXIUHGILJFVJK-UHFFFAOYSA-N 1 0 371.441 2.953 20 5 FFBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000742423212 999773609 /nfs/dbraw/zinc/77/36/09/999773609.db2.gz IMLVCSMEWYQUTK-QGZVFWFLSA-N 1 0 368.437 2.665 20 5 FFBDRO CC[N@H+](CN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O)[C@@H](C)C(C)C ZINC000742557535 999778068 /nfs/dbraw/zinc/77/80/68/999778068.db2.gz ZNKFCASBQFTZHJ-UGSOOPFHSA-N 1 0 362.430 2.686 20 5 FFBDRO CC[N@H+](CN1C(=O)N[C@](C)(c2ccc([N+](=O)[O-])cc2)C1=O)[C@@H](C)C(C)C ZINC000742557534 999778193 /nfs/dbraw/zinc/77/81/93/999778193.db2.gz ZNKFCASBQFTZHJ-SCLBCKFNSA-N 1 0 362.430 2.686 20 5 FFBDRO CC[N@@H+](Cc1ccc(C(F)(F)F)cc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000743842070 999832838 /nfs/dbraw/zinc/83/28/38/999832838.db2.gz BDUHACPSAXDVKG-OAHLLOKOSA-N 1 0 372.347 2.693 20 5 FFBDRO O=C(NC[C@H]1C[C@H]([NH2+]CCc2ccc3ccccc3c2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001086363772 999872002 /nfs/dbraw/zinc/87/20/02/999872002.db2.gz JFABKQRCCBNMOA-HUYLIWGRSA-N 1 0 367.449 2.532 20 5 FFBDRO CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]([NH2+][C@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@@H]2C1 ZINC001168965058 1000013224 /nfs/dbraw/zinc/01/32/24/1000013224.db2.gz XPMQAGBCWOINFC-QMHWVQJVSA-N 1 0 353.463 2.667 20 5 FFBDRO CC(C)(C)OC(=O)Nc1cc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)ccn1 ZINC001168969034 1000013419 /nfs/dbraw/zinc/01/34/19/1000013419.db2.gz BNZDAKMLICURRB-ZIAGYGMSSA-N 1 0 350.419 2.964 20 5 FFBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2cccc(I)c2)C1 ZINC001168969342 1000013445 /nfs/dbraw/zinc/01/34/45/1000013445.db2.gz DCRYTNFJFANQAP-YPMHNXCESA-N 1 0 360.195 2.826 20 5 FFBDRO O=C(c1cccc(F)c1)N1CCC(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168992908 1000014073 /nfs/dbraw/zinc/01/40/73/1000014073.db2.gz LIVJJEWTMVAJAQ-MAUKXSAKSA-N 1 0 363.433 2.713 20 5 FFBDRO CC(C)(C)OC(=O)N1CC[C@]2(CCC[N@@H+]2[C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169011644 1000015602 /nfs/dbraw/zinc/01/56/02/1000015602.db2.gz LWVMMTXMISOGCL-RVKKMQEKSA-N 1 0 353.463 2.907 20 5 FFBDRO CC(C)(C)OC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169036866 1000016727 /nfs/dbraw/zinc/01/67/27/1000016727.db2.gz QIJDEHQFRWOMBH-RBGFHDKUSA-N 1 0 353.463 2.952 20 5 FFBDRO CCOC[C@@H]1C[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)Cc2cnn(CC3CC3)c21 ZINC001169018260 1000017194 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360.458 2.705 20 5 FFBDRO Cc1c(C(=O)NCC[N@@H+]2CCCC(C)(C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000769706785 1000582956 /nfs/dbraw/zinc/58/29/56/1000582956.db2.gz FNKYHTNNUNEOGA-UHFFFAOYSA-N 1 0 364.402 2.663 20 5 FFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(Oc2ccnc(C(N)=O)c2)CC1 ZINC000772331177 1001366941 /nfs/dbraw/zinc/36/69/41/1001366941.db2.gz FCTBWNHUCXWPMW-ZDUSSCGKSA-N 1 0 370.409 2.693 20 5 FFBDRO O=C(CC[N@@H+]1CCc2ccccc2C1)OCCOc1ccc([N+](=O)[O-])cc1 ZINC000786821758 1001633816 /nfs/dbraw/zinc/63/38/16/1001633816.db2.gz QMAFKTIETADXQW-UHFFFAOYSA-N 1 0 370.405 2.965 20 5 FFBDRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1N)[NH+](C)C ZINC000787319562 1001684746 /nfs/dbraw/zinc/68/47/46/1001684746.db2.gz VIUZIXVEQQXMJY-SCLBCKFNSA-N 1 0 356.426 2.907 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H](O)CN2C[C@H]3CC[N@H+](Cc4ccccc4)[C@H]3C2)c1 ZINC001171361849 1001712612 /nfs/dbraw/zinc/71/26/12/1001712612.db2.gz KMJIAHZTLLHAGP-HLAWJBBLSA-N 1 0 367.449 2.835 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@H]2COC3(CCCCC3)O2)n1 ZINC000788439248 1001800250 /nfs/dbraw/zinc/80/02/50/1001800250.db2.gz VXONAILYMNNNSM-HRCADAONSA-N 1 0 364.446 2.940 20 5 FFBDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc(C)c2F)C1 ZINC000790813012 1002483586 /nfs/dbraw/zinc/48/35/86/1002483586.db2.gz JHKALLNYXIAPHA-OAHLLOKOSA-N 1 0 367.421 2.615 20 5 FFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1Cc2ccccc2[C@H]1O ZINC001184250180 1002539388 /nfs/dbraw/zinc/53/93/88/1002539388.db2.gz DFNWDQPIRHLNSA-QHLBDZCJSA-N 1 0 355.394 2.560 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001184729858 1002707759 /nfs/dbraw/zinc/70/77/59/1002707759.db2.gz POAIJCYJMVPKOD-KBPBESRZSA-N 1 0 365.430 2.601 20 5 FFBDRO CC(C)[NH+]1CCN(CCCOC(=O)c2cc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000791752154 1002802413 /nfs/dbraw/zinc/80/24/13/1002802413.db2.gz DMNGATWSOIPYFN-UHFFFAOYSA-N 1 0 374.441 2.649 20 5 FFBDRO CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNc2cc(C(F)(F)F)ccc2[N+](=O)[O-])O1 ZINC001170276139 1003085296 /nfs/dbraw/zinc/08/52/96/1003085296.db2.gz AXRPYWOOECCXJA-MCIONIFRSA-N 1 0 363.336 2.750 20 5 FFBDRO COc1ccc(C[C@@H](C)N2CCCc3ccc(C[NH3+])nc32)c([N+](=O)[O-])c1 ZINC001170305355 1003092871 /nfs/dbraw/zinc/09/28/71/1003092871.db2.gz JLLQLSHCDONVEZ-CYBMUJFWSA-N 1 0 356.426 2.841 20 5 FFBDRO CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNc2cc3cccnc3c3ncccc23)O1 ZINC001170284157 1003099779 /nfs/dbraw/zinc/09/97/79/1003099779.db2.gz PVZPRHAIGDTYIW-MBOZVWFJSA-N 1 0 352.438 2.920 20 5 FFBDRO COc1ccc([C@H](O)C[NH2+][C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC001170312580 1003104246 /nfs/dbraw/zinc/10/42/46/1003104246.db2.gz FUOZEFHFGLDBDH-BFUOFWGJSA-N 1 0 360.410 2.866 20 5 FFBDRO COc1ccc(C[C@H](C)[NH2+][C@H](CO)Cc2cccc(F)c2)c([N+](=O)[O-])c1 ZINC001170313397 1003104365 /nfs/dbraw/zinc/10/43/65/1003104365.db2.gz MDRYGZSGNSXJAR-GUYCJALGSA-N 1 0 362.401 2.867 20 5 FFBDRO COC[C@H]([NH2+][C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])[C@@H](O)c1ccccc1 ZINC001170318903 1003108953 /nfs/dbraw/zinc/10/89/53/1003108953.db2.gz RZOQZTPCBPHGHU-WNYOCNMUSA-N 1 0 374.437 2.873 20 5 FFBDRO COc1ccc(C[C@H](C)NC(=[NH2+])c2cnc3ccc(F)cn32)c([N+](=O)[O-])c1 ZINC001170326342 1003113439 /nfs/dbraw/zinc/11/34/39/1003113439.db2.gz HNMXZPQOAYMQOD-NSHDSACASA-N 1 0 371.372 2.936 20 5 FFBDRO COc1ccc(C[C@H](C)[NH+]2CCC(Oc3ccncn3)CC2)c([N+](=O)[O-])c1 ZINC001170353782 1003121153 /nfs/dbraw/zinc/12/11/53/1003121153.db2.gz DYEGWHQCQABNEN-AWEZNQCLSA-N 1 0 372.425 2.868 20 5 FFBDRO COC(=O)[C@@H]1CCC[N@H+]([C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])[C@@H]1C ZINC001170345207 1003131543 /nfs/dbraw/zinc/13/15/43/1003131543.db2.gz HYRTVJQDWWWGBM-WOSRLPQWSA-N 1 0 350.415 2.808 20 5 FFBDRO COc1ccc(C[C@@H](C)[N@@H+]2CCCN(c3ncccn3)CC2)c([N+](=O)[O-])c1 ZINC001170344679 1003131968 /nfs/dbraw/zinc/13/19/68/1003131968.db2.gz FCTKHVVTBTXLHY-OAHLLOKOSA-N 1 0 371.441 2.537 20 5 FFBDRO COc1ccc(C[C@H](C)[NH+]2CCC(N3CC(F)C3)CC2)c([N+](=O)[O-])c1 ZINC001170348734 1003133517 /nfs/dbraw/zinc/13/35/17/1003133517.db2.gz ZZBKAUZVODGTAD-ZDUSSCGKSA-N 1 0 351.422 2.653 20 5 FFBDRO O=C(O[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)c1ccc2c[nH+]cn2c1 ZINC000793171399 1003300325 /nfs/dbraw/zinc/30/03/25/1003300325.db2.gz FQUROFSEFWQYAK-HUUCEWRRSA-N 1 0 355.354 2.780 20 5 FFBDRO C[N@@H+]1C[C@H]2CCN(c3ccc(C(=O)c4ccccc4)cc3[N+](=O)[O-])[C@@H]2C1 ZINC001186571359 1003348289 /nfs/dbraw/zinc/34/82/89/1003348289.db2.gz IGQQDROIGDIOFU-VQIMIIECSA-N 1 0 351.406 2.966 20 5 FFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCC(O)(Cc3ccc(F)cc3)CC2)c1 ZINC000775750272 1004019616 /nfs/dbraw/zinc/01/96/16/1004019616.db2.gz LDNIPDOKHTZEMI-IBGZPJMESA-N 1 0 374.412 2.837 20 5 FFBDRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)c1cc(C)cc([N+](=O)[O-])c1N)c1ccco1 ZINC000807680356 1004660765 /nfs/dbraw/zinc/66/07/65/1004660765.db2.gz PGRDYJGHLZSGFH-OCCSQVGLSA-N 1 0 360.414 2.938 20 5 FFBDRO Cc1c(C(=O)NCC[N@@H+](C)C2CCCC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000104575202 1004682878 /nfs/dbraw/zinc/68/28/78/1004682878.db2.gz KSERNWCXJISRPQ-UHFFFAOYSA-N 1 0 364.402 2.724 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccc(-n2cncn2)c(C)c1 ZINC001201633096 1005237717 /nfs/dbraw/zinc/23/77/17/1005237717.db2.gz IFMAVMIPFMLPAA-UHFFFAOYSA-N 1 0 353.382 2.782 20 5 FFBDRO COC[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CCOCC1 ZINC000850492603 1005818608 /nfs/dbraw/zinc/81/86/08/1005818608.db2.gz PVSOZPHIKHXCJD-LJQANCHMSA-N 1 0 363.458 2.595 20 5 FFBDRO Cc1ccn([C@H](C)CC(=O)O[C@H]2CCN(Cc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000851035649 1005857992 /nfs/dbraw/zinc/85/79/92/1005857992.db2.gz UIRQAZRDEXKOIN-QAPCUYQASA-N 1 0 372.425 2.869 20 5 FFBDRO CC[C@@H](C)C[N@H+](CC)CN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000748263743 1017005088 /nfs/dbraw/zinc/00/50/88/1017005088.db2.gz XPSWQEBPCFPYAY-ACJLOTCBSA-N 1 0 362.430 2.687 20 5 FFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CC[C@H](c3ccccc3)[C@H](CO)C2)c1 ZINC000852520683 1006063163 /nfs/dbraw/zinc/06/31/63/1006063163.db2.gz NCESZVJEKVNIKV-SXLOBPIMSA-N 1 0 356.422 2.726 20 5 FFBDRO C[N@H+](Cc1cn(C[C@@H](O)c2cccc([N+](=O)[O-])c2)nn1)C1CCCCC1 ZINC000881411258 1006089246 /nfs/dbraw/zinc/08/92/46/1006089246.db2.gz XYWVRSJKWQNIDD-GOSISDBHSA-N 1 0 359.430 2.684 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000881478599 1006122963 /nfs/dbraw/zinc/12/29/63/1006122963.db2.gz STRFTXBYHDDPGU-INIZCTEOSA-N 1 0 361.442 2.585 20 5 FFBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)C1 ZINC000882041732 1006284899 /nfs/dbraw/zinc/28/48/99/1006284899.db2.gz DCFATUKTFYITRL-HNNXBMFYSA-N 1 0 372.469 2.655 20 5 FFBDRO O=[N+]([O-])c1cn(CN2CCC[C@@]3(CCCOC3)C2)nc1-c1ccccn1 ZINC000853501737 1006416958 /nfs/dbraw/zinc/41/69/58/1006416958.db2.gz XQLONOMGJWTHFB-GOSISDBHSA-N 1 0 357.414 2.703 20 5 FFBDRO CC1(C)CC[N@H+](CCNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC001134811232 1006487502 /nfs/dbraw/zinc/48/75/02/1006487502.db2.gz ORCHSGUIQCYTAY-UHFFFAOYSA-N 1 0 357.357 2.658 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC[C@H]([NH2+]C3CCOCC3)C2)cc1OC(F)F ZINC000882726040 1006489913 /nfs/dbraw/zinc/48/99/13/1006489913.db2.gz IEEVXUWNDZUJKJ-ZDUSSCGKSA-N 1 0 371.384 2.934 20 5 FFBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](C[C@@H](O)c3cc4ccccc4o3)C2)nc1 ZINC000815070008 1006507253 /nfs/dbraw/zinc/50/72/53/1006507253.db2.gz NWOHOCPZWOIKME-GOEBONIOSA-N 1 0 368.393 2.956 20 5 FFBDRO C[C@H](c1ccccc1)[NH+]1CCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)CC1 ZINC000882810896 1006515240 /nfs/dbraw/zinc/51/52/40/1006515240.db2.gz GPOBHOPZBBZFPD-CQSZACIVSA-N 1 0 356.426 2.553 20 5 FFBDRO COc1ccc(-c2ccc(C[NH2+]CCCc3cnn(C)n3)o2)c([N+](=O)[O-])c1 ZINC000815144912 1006529133 /nfs/dbraw/zinc/52/91/33/1006529133.db2.gz ROQZVYJLWFPHRV-UHFFFAOYSA-N 1 0 371.397 2.714 20 5 FFBDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000775178391 1006617560 /nfs/dbraw/zinc/61/75/60/1006617560.db2.gz JEQRGFLCWIKMAW-LLVKDONJSA-N 1 0 361.402 2.570 20 5 FFBDRO C[C@H](NC(=O)N1CCN(c2cc[nH+]cc2)[C@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000883553386 1006860351 /nfs/dbraw/zinc/86/03/51/1006860351.db2.gz RNIUMBTVSIPCST-CABCVRRESA-N 1 0 369.425 2.971 20 5 FFBDRO CCCCCCNC(=O)[C@H]1CCCN(Cn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000133132829 1007071523 /nfs/dbraw/zinc/07/15/23/1007071523.db2.gz PVHWKQXSBUFYHY-INIZCTEOSA-N 1 0 365.478 2.774 20 5 FFBDRO C[NH2+]CCOc1cccc(C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000884306354 1007365319 /nfs/dbraw/zinc/36/53/19/1007365319.db2.gz BVTAEBMITZZQOO-UHFFFAOYSA-N 1 0 369.421 2.998 20 5 FFBDRO C[NH2+]CCOc1cccc(C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000884377751 1007399822 /nfs/dbraw/zinc/39/98/22/1007399822.db2.gz VAJSWNVGPUWCBP-UHFFFAOYSA-N 1 0 369.421 2.998 20 5 FFBDRO O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000885891686 1007824805 /nfs/dbraw/zinc/82/48/05/1007824805.db2.gz WULWOSADQFOESA-INIZCTEOSA-N 1 0 369.421 2.731 20 5 FFBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)CC1 ZINC000818008851 1007852305 /nfs/dbraw/zinc/85/23/05/1007852305.db2.gz KBFUMAJRVBCKMC-CVEARBPZSA-N 1 0 374.485 2.888 20 5 FFBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N(C)CC(C)(C)C[NH3+])CC1 ZINC000818531677 1007926162 /nfs/dbraw/zinc/92/61/62/1007926162.db2.gz KODCSHKWUGMYCF-UHFFFAOYSA-N 1 0 362.474 2.888 20 5 FFBDRO COc1cccc(N2CC[C@H]([NH2+]C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)c1 ZINC000819012560 1007999083 /nfs/dbraw/zinc/99/90/83/1007999083.db2.gz KUFYSDFLAVPSLW-KXBFYZLASA-N 1 0 357.410 2.505 20 5 FFBDRO COc1ccccc1N1CC[C@H](C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000818990233 1008002433 /nfs/dbraw/zinc/00/24/33/1008002433.db2.gz VCBNKVPSPANYTC-DNVCBOLYSA-N 1 0 371.437 2.753 20 5 FFBDRO O=C(CCC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)N1CCc2ccccc21 ZINC000819054108 1008020230 /nfs/dbraw/zinc/02/02/30/1008020230.db2.gz VULHOYIRJXFAQX-LJQANCHMSA-N 1 0 369.421 2.587 20 5 FFBDRO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819071929 1008036666 /nfs/dbraw/zinc/03/66/66/1008036666.db2.gz FGFSLOHVTDWUCI-GOEBONIOSA-N 1 0 365.430 2.617 20 5 FFBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)CN(C)C(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000819135809 1008039543 /nfs/dbraw/zinc/03/95/43/1008039543.db2.gz FYICECFRKXAFOE-HIFRSBDPSA-N 1 0 367.446 2.782 20 5 FFBDRO Cc1ccc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)c(N2CCOCC2)c1 ZINC000819148449 1008043651 /nfs/dbraw/zinc/04/36/51/1008043651.db2.gz XESCWMKCBNDLMX-FQEVSTJZSA-N 1 0 371.437 2.563 20 5 FFBDRO COc1ccccc1N1CC[C@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000819152021 1008044323 /nfs/dbraw/zinc/04/43/23/1008044323.db2.gz KETNDMIKJMKRSB-MAUKXSAKSA-N 1 0 357.410 2.505 20 5 FFBDRO Cc1ccc(N2CCC[C@H]([NH2+]C[C@H](O)c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000819111811 1008047230 /nfs/dbraw/zinc/04/72/30/1008047230.db2.gz VYCKYJRKTNDMSB-OALUTQOASA-N 1 0 369.421 2.722 20 5 FFBDRO O=C(CC[NH2+]CCC(=O)OC1CCCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000819294997 1008087035 /nfs/dbraw/zinc/08/70/35/1008087035.db2.gz PRLAKMFIZXTVHP-UHFFFAOYSA-N 1 0 363.414 2.779 20 5 FFBDRO CN(C)C(=O)Nc1ccc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000819279693 1008098526 /nfs/dbraw/zinc/09/85/26/1008098526.db2.gz PRPSARYEQPVMDT-QGZVFWFLSA-N 1 0 358.398 2.512 20 5 FFBDRO C[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C(=O)N1c2ccccc2C[C@H]1C ZINC000819353497 1008105435 /nfs/dbraw/zinc/10/54/35/1008105435.db2.gz YJSOUQSTMKJCHD-TYILLQQXSA-N 1 0 369.421 2.584 20 5 FFBDRO Cc1cc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cc(N2CCCC2)n1 ZINC000819320640 1008112058 /nfs/dbraw/zinc/11/20/58/1008112058.db2.gz HMJQEOPWSHBGFO-SFHVURJKSA-N 1 0 356.426 2.722 20 5 FFBDRO COc1ccc(CC[N@H+](CC(C)C)Cn2cc([N+](=O)[O-])cn2)cc1OC ZINC000115513093 1008198375 /nfs/dbraw/zinc/19/83/75/1008198375.db2.gz WFUYHJCGVUJWPB-UHFFFAOYSA-N 1 0 362.430 2.967 20 5 FFBDRO CCOC(=O)C1=CC[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000858505160 1008370861 /nfs/dbraw/zinc/37/08/61/1008370861.db2.gz GCWJJHYGXSKJOJ-INIZCTEOSA-N 1 0 359.426 2.805 20 5 FFBDRO CC(C)(C)OC(=O)N1CC(CCN2CCc3ncc([N+](=O)[O-])cc3C2)C1 ZINC000859238228 1008492090 /nfs/dbraw/zinc/49/20/90/1008492090.db2.gz VUYZDMIBAPMVMP-UHFFFAOYSA-N 1 0 362.430 2.605 20 5 FFBDRO CC(C)(C)OC(=O)N1CC[C@H]2CN(Cc3cccnc3[N+](=O)[O-])CC[C@H]21 ZINC000886215986 1008602529 /nfs/dbraw/zinc/60/25/29/1008602529.db2.gz UOLABBPTJNPJHY-DZGCQCFKSA-N 1 0 362.430 2.821 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@@H](O)Cc2ccc(F)cc2)n1 ZINC000886677575 1008810940 /nfs/dbraw/zinc/81/09/40/1008810940.db2.gz ZDQPSOPJWUADFZ-YESZJQIVSA-N 1 0 362.405 2.607 20 5 FFBDRO CCC1([NH+]2CCC2)CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000886712455 1008838847 /nfs/dbraw/zinc/83/88/47/1008838847.db2.gz DSPAFYMXASJURL-UHFFFAOYSA-N 1 0 360.458 2.792 20 5 FFBDRO O=C(NCCCCCC[NH2+]Cc1ccc(Cl)s1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001178449769 1008979084 /nfs/dbraw/zinc/97/90/84/1008979084.db2.gz FZTOYUXFSOJNES-CHWSQXEVSA-N 1 0 359.879 2.833 20 5 FFBDRO O=C(NCCCCCC[NH2+]CCOC1CCCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001178464703 1008998673 /nfs/dbraw/zinc/99/86/73/1008998673.db2.gz YKZJDYSWDWBZEI-QZTJIDSGSA-N 1 0 369.506 2.657 20 5 FFBDRO Cc1ccccc1CCC[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001178464252 1008999372 /nfs/dbraw/zinc/99/93/72/1008999372.db2.gz RNGCRPPNWKGYDI-RTBURBONSA-N 1 0 361.486 2.859 20 5 FFBDRO O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)c1[nH]ncc1[N+](=O)[O-] ZINC000125665721 1009201700 /nfs/dbraw/zinc/20/17/00/1009201700.db2.gz HAXHQJVFQIWFGM-UHFFFAOYSA-N 1 0 357.414 2.624 20 5 FFBDRO C/C(=C/C(=O)N1CCC(C)([NH+]2CCOCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000862958263 1010055995 /nfs/dbraw/zinc/05/59/95/1010055995.db2.gz CDOVEXYYPDQPDS-NXVVXOECSA-N 1 0 373.453 2.711 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccnc(OCC[NH+](C)C)c2)c1C ZINC000889754301 1010092214 /nfs/dbraw/zinc/09/22/14/1010092214.db2.gz NKJDSIHKVLTMOJ-UHFFFAOYSA-N 1 0 358.398 2.799 20 5 FFBDRO C[C@@H]1[C@@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCN1C(=O)OC(C)(C)C ZINC000863586180 1010263194 /nfs/dbraw/zinc/26/31/94/1010263194.db2.gz BYEJZAACLSZQJD-KCXAZCMYSA-N 1 0 365.430 2.616 20 5 FFBDRO O=C(Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1)c1cc(F)ccc1[N+](=O)[O-] ZINC000794588363 1010392258 /nfs/dbraw/zinc/39/22/58/1010392258.db2.gz SSWWTSTVFBHJQT-HNNXBMFYSA-N 1 0 359.357 2.553 20 5 FFBDRO NC(=O)[C@H]1C[C@@H]1C(=O)Nc1cc2oc3cc(=[NH2+])ccc-3nc2c2ccccc12 ZINC001182379703 1010540619 /nfs/dbraw/zinc/54/06/19/1010540619.db2.gz HNLSIYJDYWMKNS-KBPBESRZSA-N 1 0 372.384 2.625 20 5 FFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]Cc2cn(-c3ccccc3)nn2)n1 ZINC000774259293 1010542471 /nfs/dbraw/zinc/54/24/71/1010542471.db2.gz HUTKKRMRADJXJS-SJORKVTESA-N 1 0 367.413 2.646 20 5 FFBDRO C[C@H](C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)NC(=O)OC(C)(C)C ZINC000794823530 1010742954 /nfs/dbraw/zinc/74/29/54/1010742954.db2.gz FNDMFFPPYPUFAV-HZSPNIEDSA-N 1 0 367.450 2.778 20 5 FFBDRO CN1CC[NH+](CC2CCN(c3ccc([N+](=O)[O-])cc3C(F)F)CC2)CC1 ZINC000865463702 1010791462 /nfs/dbraw/zinc/79/14/62/1010791462.db2.gz CIIISCRYRPBPTJ-UHFFFAOYSA-N 1 0 368.428 2.996 20 5 FFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1cccnc1N1CCOCC1 ZINC000866228222 1010955753 /nfs/dbraw/zinc/95/57/53/1010955753.db2.gz IVEPIBUPECQNSU-AWEZNQCLSA-N 1 0 374.416 2.686 20 5 FFBDRO O=C1Nc2ccccc2C[C@H]1[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172900663 1012075386 /nfs/dbraw/zinc/07/53/86/1012075386.db2.gz XRVQPUMDUKUVNB-QFBILLFUSA-N 1 0 351.406 2.995 20 5 FFBDRO COC(=O)c1csc(C[NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)n1 ZINC001172895466 1012096467 /nfs/dbraw/zinc/09/64/67/1012096467.db2.gz DZDLKDDMVJEBBZ-CYBMUJFWSA-N 1 0 361.423 2.875 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1CCN3CC(F)(F)C[C@H]3C1)CC2 ZINC001172922468 1012101259 /nfs/dbraw/zinc/10/12/59/1012101259.db2.gz XZYXFOBDQVRXDK-RDJZCZTQSA-N 1 0 351.397 2.867 20 5 FFBDRO O=C(NC[C@@H]1CCCC[NH2+]1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000646652309 1012105358 /nfs/dbraw/zinc/10/53/58/1012105358.db2.gz IPDMMUUWADXUIL-ZDUSSCGKSA-N 1 0 371.387 2.831 20 5 FFBDRO Cc1cc(N2CC[NH+]([C@@H]3CCc4ccc([N+](=O)[O-])cc4CC3)CC2)ncn1 ZINC001172911423 1012122662 /nfs/dbraw/zinc/12/26/62/1012122662.db2.gz BREINMVQSJDQGU-GOSISDBHSA-N 1 0 367.453 2.763 20 5 FFBDRO COCCCCN1CC[NH+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172913278 1012126152 /nfs/dbraw/zinc/12/61/52/1012126152.db2.gz QMQOCZQGAZNVPH-LJQANCHMSA-N 1 0 361.486 2.886 20 5 FFBDRO CC1(C)[C@@H](O)C[C@@H]1[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173008821 1012176902 /nfs/dbraw/zinc/17/69/02/1012176902.db2.gz GYJJZMQRUIPWJS-GJZGRUSLSA-N 1 0 355.385 2.591 20 5 FFBDRO C[C@H]1C[N@@H+](C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)CCCO1 ZINC001173009443 1012179518 /nfs/dbraw/zinc/17/95/18/1012179518.db2.gz CICGFZDOPSPXRX-LBPRGKRZSA-N 1 0 355.385 2.953 20 5 FFBDRO C[C@@H]1C[C@H]([NH2+]C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)CCO1 ZINC001173011642 1012181721 /nfs/dbraw/zinc/18/17/21/1012181721.db2.gz FVCATQYZNGFGBL-DGCLKSJQSA-N 1 0 355.385 2.999 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH+]3CC4(C3)CCOC4)CC2)c(F)c1 ZINC001173010781 1012181862 /nfs/dbraw/zinc/18/18/62/1012181862.db2.gz AVIWMHBIOLBYEY-UHFFFAOYSA-N 1 0 353.369 2.564 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CCN2CCC(C)CC2)c1F ZINC001173174802 1012319092 /nfs/dbraw/zinc/31/90/92/1012319092.db2.gz CEUQRVFYLOVQJD-CQSZACIVSA-N 1 0 353.438 2.995 20 5 FFBDRO COc1cccc(CC[NH2+][C@@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])n1 ZINC001173176374 1012320072 /nfs/dbraw/zinc/32/00/72/1012320072.db2.gz HZURNPZXWVVKQL-LBPRGKRZSA-N 1 0 363.389 2.909 20 5 FFBDRO COC(=O)[C@@H]1CCC[C@@H]([NH2+][C@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C1 ZINC001173179321 1012322684 /nfs/dbraw/zinc/32/26/84/1012322684.db2.gz OVOZZBVZDTWTDX-JHJVBQTASA-N 1 0 368.405 2.995 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CCc2ccc(CO)cc2)c1F ZINC001173180484 1012323845 /nfs/dbraw/zinc/32/38/45/1012323845.db2.gz RADMGUSFXOUTLC-CYBMUJFWSA-N 1 0 362.401 2.998 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@H]2CCN(CC(C)C)C2)c1F ZINC001173182275 1012326027 /nfs/dbraw/zinc/32/60/27/1012326027.db2.gz REWRUEKEJDIZAL-KBPBESRZSA-N 1 0 353.438 2.993 20 5 FFBDRO CCC(=O)NC1CC[NH+]([C@@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])CC1 ZINC001173188837 1012329926 /nfs/dbraw/zinc/32/99/26/1012329926.db2.gz HGRWBSPHQUBBLU-LBPRGKRZSA-N 1 0 367.421 2.664 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CC2CCN(C(C)=O)CC2)c1F ZINC001173190607 1012331958 /nfs/dbraw/zinc/33/19/58/1012331958.db2.gz ZODJFFBFGLYJTM-GFCCVEGCSA-N 1 0 367.421 2.522 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+](C)[C@@H]2CCCN(C(C)=O)C2)c1F ZINC001173191459 1012332812 /nfs/dbraw/zinc/33/28/12/1012332812.db2.gz FKBXUVGSJHVORN-GXTWGEPZSA-N 1 0 367.421 2.616 20 5 FFBDRO C[NH+]1CCC(n2cc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)cn2)CC1 ZINC000870533276 1012437240 /nfs/dbraw/zinc/43/72/40/1012437240.db2.gz MWQSEKTVYMZMTK-QPJJXVBHSA-N 1 0 355.398 2.710 20 5 FFBDRO O=[N+]([O-])c1ccc(NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c(Br)c1 ZINC000252539383 1012559069 /nfs/dbraw/zinc/55/90/69/1012559069.db2.gz BMPJQSJHTCPVEQ-NWDGAFQWSA-N 1 0 356.220 2.632 20 5 FFBDRO CCOc1cc(C(=O)N2CC[N@H+](C)C(C)(C)CC2)c([N+](=O)[O-])cc1OC ZINC000871150680 1012749899 /nfs/dbraw/zinc/74/98/99/1012749899.db2.gz RQPWTGQDWXCSBG-UHFFFAOYSA-N 1 0 365.430 2.558 20 5 FFBDRO Cn1ccnc1[C@H]([NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2)c1cccc([N+](=O)[O-])c1 ZINC000926934171 1018299226 /nfs/dbraw/zinc/29/92/26/1018299226.db2.gz DHIHZCLCQVYZON-CIRFHOKZSA-N 1 0 354.410 2.598 20 5 FFBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H]2CCN2C2CCOCC2)cc1[N+](=O)[O-] ZINC000927106425 1018367935 /nfs/dbraw/zinc/36/79/35/1018367935.db2.gz ZYQXAIWJOWYFMI-WMLDXEAASA-N 1 0 363.458 2.897 20 5 FFBDRO C[C@@H]1[C@H](NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000928436247 1018978577 /nfs/dbraw/zinc/97/85/77/1018978577.db2.gz BDTMIPRRJYZQNH-RDTXWAMCSA-N 1 0 369.421 2.996 20 5 FFBDRO C[C@@H]([NH2+]CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccsc1 ZINC000801570169 1019124738 /nfs/dbraw/zinc/12/47/38/1019124738.db2.gz NLPIELAFABWCIR-CQSZACIVSA-N 1 0 374.466 2.656 20 5 FFBDRO O=C(CC[NH2+][C@H]1CCc2ccccc2OC1)Nc1ccccc1[N+](=O)[O-] ZINC000801574711 1019131946 /nfs/dbraw/zinc/13/19/46/1019131946.db2.gz XHLFQQJSZOBSPV-HNNXBMFYSA-N 1 0 355.394 2.907 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H]1CCc2ccccc2OC1 ZINC000801575851 1019134593 /nfs/dbraw/zinc/13/45/93/1019134593.db2.gz MDCNWQFRCVNJFE-HNNXBMFYSA-N 1 0 355.394 2.825 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCC[C@](CO)(c3ccccc3)C2)cc1 ZINC000801580568 1019138743 /nfs/dbraw/zinc/13/87/43/1019138743.db2.gz MZRAKPHZTQPLOD-UXHICEINSA-N 1 0 356.422 2.654 20 5 FFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H](CC[NH+](C)C)c1cccnc1 ZINC000928830569 1019143507 /nfs/dbraw/zinc/14/35/07/1019143507.db2.gz IVVJKCULEKCYIH-OAHLLOKOSA-N 1 0 372.425 2.811 20 5 FFBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC000928832591 1019146020 /nfs/dbraw/zinc/14/60/20/1019146020.db2.gz UFARQBCJZJIVOT-HNNXBMFYSA-N 1 0 360.389 2.860 20 5 FFBDRO C[NH+](C)CC[C@@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC000928839551 1019155420 /nfs/dbraw/zinc/15/54/20/1019155420.db2.gz KTJJOYNZZGFNMU-QGZVFWFLSA-N 1 0 374.466 2.891 20 5 FFBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N)[N@H+](C)Cc1ccccc1 ZINC000801891458 1019490111 /nfs/dbraw/zinc/49/01/11/1019490111.db2.gz LWROOOPGGHQZFR-LBPRGKRZSA-N 1 0 360.389 2.566 20 5 FFBDRO Cn1nc(-c2nc(-c3ccc4ccc5cccnc5c4n3)no2)c2c1C[NH2+]C2 ZINC001217689858 1032839196 /nfs/dbraw/zinc/83/91/96/1032839196.db2.gz YBEWVKUVTAJPPZ-UHFFFAOYSA-N 1 0 369.388 2.837 20 5 FFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CC[N@H+](Cc1cccc3ccccc31)C2 ZINC001072724861 1020294298 /nfs/dbraw/zinc/29/42/98/1020294298.db2.gz GPGFBGHMEGBBMS-RTBURBONSA-N 1 0 365.433 2.539 20 5 FFBDRO O=[N+]([O-])c1ccnn1CN1CCC(c2ccccc2)([NH+]2CCCC2)CC1 ZINC000902578160 1020304685 /nfs/dbraw/zinc/30/46/85/1020304685.db2.gz MXPNWFHFCLFVIN-UHFFFAOYSA-N 1 0 355.442 2.836 20 5 FFBDRO O=c1c2cc(O[C@H]3CCC[NH2+]C[C@@H]3F)c(O)cc2oc2cccc(O)c12 ZINC001217950221 1032915554 /nfs/dbraw/zinc/91/55/54/1032915554.db2.gz YGGWTJKGZHETQQ-FZMZJTMJSA-N 1 0 359.353 2.826 20 5 FFBDRO O=[N+]([O-])c1cc(O[C@@H]2C[NH2+]CCC[C@@H]2F)c(F)cc1Br ZINC001217978253 1032928831 /nfs/dbraw/zinc/92/88/31/1032928831.db2.gz AUPMGMRWMKROJA-QPUJVOFHSA-N 1 0 351.147 2.965 20 5 FFBDRO CCOc1cccc(CNC(=O)C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000932179430 1020734373 /nfs/dbraw/zinc/73/43/73/1020734373.db2.gz HBZGXXQMSUNPGO-CQSZACIVSA-N 1 0 357.410 2.961 20 5 FFBDRO CCO[C@H](CNC(=O)Nc1cc([N+](=O)[O-])ccc1C(C)(C)C)C[NH+](C)C ZINC000932209713 1020743994 /nfs/dbraw/zinc/74/39/94/1020743994.db2.gz DSDJSNGAOVZPPS-CQSZACIVSA-N 1 0 366.462 2.981 20 5 FFBDRO O=C(C[NH2+][C@@H](c1ccccn1)C1CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000932377380 1020786711 /nfs/dbraw/zinc/78/67/11/1020786711.db2.gz NXQRHWCMRPYSQP-LJQANCHMSA-N 1 0 352.394 2.620 20 5 FFBDRO Cn1cc([C@@]2(C[NH2+][C@H](Cc3ccccc3[N+](=O)[O-])C3CC3)CCCO2)cn1 ZINC000903356135 1020802065 /nfs/dbraw/zinc/80/20/65/1020802065.db2.gz PFICLMSDVODGPN-QUCCMNQESA-N 1 0 370.453 2.945 20 5 FFBDRO COc1cccc([C@H](C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)N(C)C)c1 ZINC000749639214 1021016990 /nfs/dbraw/zinc/01/69/90/1021016990.db2.gz NYUJOVXKZZTWGC-RBUKOAKNSA-N 1 0 359.426 2.529 20 5 FFBDRO O=C(c1ccc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1)N1CCCC1 ZINC000749665856 1021019103 /nfs/dbraw/zinc/01/91/03/1021019103.db2.gz YELGDVGDUHVKJH-IBGZPJMESA-N 1 0 369.421 2.654 20 5 FFBDRO COc1ccc(C[N@H+](CCCO)C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000934505743 1021267189 /nfs/dbraw/zinc/26/71/89/1021267189.db2.gz YVSGHPZTNUNMEK-LJQANCHMSA-N 1 0 360.410 2.521 20 5 FFBDRO C[C@@H]1CC[NH2+]C[C@H]1Oc1cc(I)ccc1[N+](=O)[O-] ZINC001218044551 1032969307 /nfs/dbraw/zinc/96/93/07/1032969307.db2.gz WCCQLDXJLFYPJZ-PRHODGIISA-N 1 0 362.167 2.576 20 5 FFBDRO Cc1cc(Br)c(O[C@@H]2CSC3(C[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC001218099492 1032994645 /nfs/dbraw/zinc/99/46/45/1032994645.db2.gz HRVBEEWVYIDWLX-VIFPVBQESA-N 1 0 359.245 2.892 20 5 FFBDRO O=[N+]([O-])c1ccc(O[C@H]2CC[C@@]23CC[NH2+]C3)c(I)c1 ZINC001218119869 1033006765 /nfs/dbraw/zinc/00/67/65/1033006765.db2.gz ZGVLXHOXUIIUKO-STQMWFEESA-N 1 0 374.178 2.720 20 5 FFBDRO C[C@@H](C1CC1)[N@H+](CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC000042123207 1022140808 /nfs/dbraw/zinc/14/08/08/1022140808.db2.gz VETMQCRTIJCLAJ-HNNXBMFYSA-N 1 0 372.469 2.506 20 5 FFBDRO C/C(=C/C(=O)N1CCC[N@H+](C[C@H]2CCCO2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000751690053 1022911674 /nfs/dbraw/zinc/91/16/74/1022911674.db2.gz YEDWAWLCUWRYNG-WLGQOEQESA-N 1 0 373.453 2.711 20 5 FFBDRO COc1ccc(C[C@@](C)([NH3+])CNc2nc3ccccn3c2[N+](=O)[O-])cc1 ZINC000754668901 1023501733 /nfs/dbraw/zinc/50/17/33/1023501733.db2.gz DLRPPYVTEYJMCC-GOSISDBHSA-N 1 0 355.398 2.623 20 5 FFBDRO O=[N+]([O-])c1cccc(I)c1O[C@H]1C[NH2+]CCC12CC2 ZINC001218402696 1033139872 /nfs/dbraw/zinc/13/98/72/1033139872.db2.gz DUXSLAGRAXSGSI-NSHDSACASA-N 1 0 374.178 2.720 20 5 FFBDRO COc1c(=O)n2c3ccccc3c3ccnc(c32)c1O[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001218407282 1033142420 /nfs/dbraw/zinc/14/24/20/1033142420.db2.gz LSCPSBPWIBOBCD-CHWSQXEVSA-N 1 0 363.417 2.967 20 5 FFBDRO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])[C@H]2C1 ZINC001121200894 1023646135 /nfs/dbraw/zinc/64/61/35/1023646135.db2.gz YXWALRDAPKQGHE-DRZSPHRISA-N 1 0 369.874 2.797 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)c2nnc(-c3ccc([N+](=O)[O-])s3)n2C)[C@H](C)C1 ZINC001121269080 1023681354 /nfs/dbraw/zinc/68/13/54/1023681354.db2.gz YPQFFFMNFYFPAS-NEPJUHHUSA-N 1 0 364.475 2.618 20 5 FFBDRO O=[N+]([O-])c1c(I)cccc1O[C@@H]1CC[C@H]2C[NH2+]C[C@@H]21 ZINC001218460587 1033166739 /nfs/dbraw/zinc/16/67/39/1033166739.db2.gz MZNDGPCMBWMTET-ATZCPNFKSA-N 1 0 374.178 2.576 20 5 FFBDRO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])NC[C@@H]1C[NH2+]CCC1(F)F ZINC001122133967 1024371383 /nfs/dbraw/zinc/37/13/83/1024371383.db2.gz KLTPYIIPMXSPDL-JTQLQIEISA-N 1 0 361.776 2.542 20 5 FFBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000195142781 1024947673 /nfs/dbraw/zinc/94/76/73/1024947673.db2.gz FPDWBSCHTHVQOL-UHFFFAOYSA-N 1 0 354.410 2.525 20 5 FFBDRO O=[N+]([O-])c1ccc(N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c2nonc21 ZINC000795211279 1025357409 /nfs/dbraw/zinc/35/74/09/1025357409.db2.gz WUKWSFSTWSMUFK-GASCZTMLSA-N 1 0 365.393 2.699 20 5 FFBDRO Cc1cc(C)cc([C@@H](O)C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000245458951 1025434855 /nfs/dbraw/zinc/43/48/55/1025434855.db2.gz VCKYFGMYZQNWQK-AEFFLSMTSA-N 1 0 356.426 2.826 20 5 FFBDRO Cc1c(C(=O)NCC[N@@H+]2CCCC2(C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000837178017 1025635037 /nfs/dbraw/zinc/63/50/37/1025635037.db2.gz SKIMCVQGYVAIRZ-UHFFFAOYSA-N 1 0 364.402 2.724 20 5 FFBDRO CC(C)(C)OC(=O)NCC1(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])CC1 ZINC000839097620 1026588099 /nfs/dbraw/zinc/58/80/99/1026588099.db2.gz RHXQQTOFCBSAEN-UHFFFAOYSA-N 1 0 364.446 2.665 20 5 FFBDRO C[C@@]1(C[NH3+])CCCN(c2nc(C(F)(F)F)nc(Cl)c2[N+](=O)[O-])C1 ZINC001158684454 1027094486 /nfs/dbraw/zinc/09/44/86/1027094486.db2.gz PQIXXTHQLKUCBJ-NSHDSACASA-N 1 0 353.732 2.622 20 5 FFBDRO [NH3+]CCN(c1ncc([N+](=O)[O-])cc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2 ZINC001159537998 1027425235 /nfs/dbraw/zinc/42/52/35/1027425235.db2.gz CANBIZDNDGCOQZ-UHFFFAOYSA-N 1 0 361.402 2.632 20 5 FFBDRO COc1nc(C)c([N+](=O)[O-])c(-n2cc(C[C@H](C)[NH3+])c3ccc(C)cc32)n1 ZINC001160010701 1027561162 /nfs/dbraw/zinc/56/11/62/1027561162.db2.gz KMMQAZLTJFUALF-NSHDSACASA-N 1 0 355.398 2.844 20 5 FFBDRO CCOC(=O)c1ccnc(-n2c(CC[NH3+])cc3ccccc32)c1[N+](=O)[O-] ZINC001160131392 1027603968 /nfs/dbraw/zinc/60/39/68/1027603968.db2.gz LRZPZBNKYBMHDP-UHFFFAOYSA-N 1 0 354.366 2.612 20 5 FFBDRO CCc1cc(Nc2nccnc2C[NH3+])nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001160249670 1027649427 /nfs/dbraw/zinc/64/94/27/1027649427.db2.gz BVQFERNYPHIJPB-UHFFFAOYSA-N 1 0 351.370 2.607 20 5 FFBDRO Cc1nc(Cl)nc(NC2CC[NH+](CC3CCOCC3)CC2)c1[N+](=O)[O-] ZINC001161213435 1028070846 /nfs/dbraw/zinc/07/08/46/1028070846.db2.gz UDWWPTKJNDQACW-UHFFFAOYSA-N 1 0 369.853 2.650 20 5 FFBDRO Cc1cc(N(C2COC2)[C@H]2CC[C@H]([NH3+])CC2)nc2ccc([N+](=O)[O-])cc12 ZINC001161277295 1028109982 /nfs/dbraw/zinc/10/99/82/1028109982.db2.gz VELYNJWEOOHNSZ-HDJSIYSDSA-N 1 0 356.426 2.927 20 5 FFBDRO O=[N+]([O-])c1c[nH]c2ccc(NCC3(c4cccnc4)CC[NH2+]CC3)nc21 ZINC001162037330 1028407520 /nfs/dbraw/zinc/40/75/20/1028407520.db2.gz RIQVNBARDAALTL-UHFFFAOYSA-N 1 0 352.398 2.599 20 5 FFBDRO Cc1ccc(C(=O)NC[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC001154692772 1028409673 /nfs/dbraw/zinc/40/96/73/1028409673.db2.gz DBDYVTYTPKEXFT-IRXDYDNUSA-N 1 0 361.442 2.524 20 5 FFBDRO CC(C)CCC[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001162810611 1028663686 /nfs/dbraw/zinc/66/36/86/1028663686.db2.gz NFSOIVLVTOSDDE-RTBURBONSA-N 1 0 361.486 2.749 20 5 FFBDRO O=C(Nc1cccnc1N[C@@]12CCC[C@@H]1[NH2+]CC2)c1ccccc1[N+](=O)[O-] ZINC001162978139 1028744330 /nfs/dbraw/zinc/74/43/30/1028744330.db2.gz QWCPNGQJJUEWRG-QFBILLFUSA-N 1 0 367.409 2.939 20 5 FFBDRO O=[N+]([O-])c1ccc(NCC[C@H]2CCOC23C[NH2+]C3)nc1-c1ccccc1 ZINC001155480402 1028756348 /nfs/dbraw/zinc/75/63/48/1028756348.db2.gz YEXMGECIAWNYET-HNNXBMFYSA-N 1 0 354.410 2.837 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)c(Cl)nc1NC[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001155593120 1028804877 /nfs/dbraw/zinc/80/48/77/1028804877.db2.gz XSIDFHVSHYPXLD-LKFCYVNXSA-N 1 0 361.229 2.867 20 5 FFBDRO CN(C)/C=C/c1cc(-n2cnc(-c3ccc(C[NH3+])cc3)c2)ncc1[N+](=O)[O-] ZINC001163221951 1028843926 /nfs/dbraw/zinc/84/39/26/1028843926.db2.gz PBKAZBYMXABLRS-BQYQJAHWSA-N 1 0 364.409 2.834 20 5 FFBDRO COc1cccc([C@@H](C[NH3+])NC(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)c1 ZINC001163303106 1028882222 /nfs/dbraw/zinc/88/22/22/1028882222.db2.gz GYGVJEWTAQSAAF-GFCCVEGCSA-N 1 0 372.759 2.991 20 5 FFBDRO COc1cccc([C@H](C[NH3+])Nc2ncnc3cc(OC)c([N+](=O)[O-])cc32)c1 ZINC001163310517 1028887907 /nfs/dbraw/zinc/88/79/07/1028887907.db2.gz YYLNOCSHJKPYQX-HNNXBMFYSA-N 1 0 369.381 2.667 20 5 FFBDRO CCOC(=O)c1ccnc(N[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2C)c1[N+](=O)[O-] ZINC001163371320 1028906943 /nfs/dbraw/zinc/90/69/43/1028906943.db2.gz ONXQOCOZUPGKEB-GXTWGEPZSA-N 1 0 350.419 2.697 20 5 FFBDRO COC(=O)C1(Nc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC[NH2+]CC1 ZINC001156537705 1029237102 /nfs/dbraw/zinc/23/71/02/1029237102.db2.gz WRJLISPWPOFRDR-UHFFFAOYSA-N 1 0 374.372 2.503 20 5 FFBDRO Cc1cc(Cl)nc(N(Cc2ccccc2)C2(C[NH3+])COC2)c1[N+](=O)[O-] ZINC001156631630 1029277692 /nfs/dbraw/zinc/27/76/92/1029277692.db2.gz AHNHAQRTDJXDSJ-UHFFFAOYSA-N 1 0 362.817 2.686 20 5 FFBDRO Cc1c[n+]([O-])c(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)cc1[N+](=O)[O-] ZINC001164485323 1029292245 /nfs/dbraw/zinc/29/22/45/1029292245.db2.gz IJLQOCDLZVBTQD-KZNAEPCWSA-N 1 0 368.437 2.859 20 5 FFBDRO Cn1cc(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)cc([N+](=O)[O-])c1=O ZINC001164491799 1029297408 /nfs/dbraw/zinc/29/74/08/1029297408.db2.gz GKNLCTLIEWJBHX-BPQIPLTHSA-N 1 0 368.437 2.616 20 5 FFBDRO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CC[NH+](C(C)(C)C)CC1 ZINC001165087957 1029376956 /nfs/dbraw/zinc/37/69/56/1029376956.db2.gz LFYNQUHBKUJXTP-UHFFFAOYSA-N 1 0 370.837 2.740 20 5 FFBDRO CC1([NH+]2CCOCC2)CCN(c2ccc3c(cccc3[N+](=O)[O-])n2)CC1 ZINC001165134830 1029415505 /nfs/dbraw/zinc/41/55/05/1029415505.db2.gz PDJNRZIENPAIHC-UHFFFAOYSA-N 1 0 356.426 2.834 20 5 FFBDRO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1N(C)c1cc(N)c([N+](=O)[O-])cn1 ZINC001165183082 1029438596 /nfs/dbraw/zinc/43/85/96/1029438596.db2.gz PXKGATLLTAGDDP-KBXCAEBGSA-N 1 0 355.442 2.919 20 5 FFBDRO Cc1ncc([N+](=O)[O-])c(N2CCC([N@H+](C)Cc3ccc(F)cc3)CC2)n1 ZINC001157067007 1029456587 /nfs/dbraw/zinc/45/65/87/1029456587.db2.gz RUXNXQQYEIJAHW-UHFFFAOYSA-N 1 0 359.405 2.933 20 5 FFBDRO CC(C)(C)OC(=O)[C@H](CCCC[NH3+])Nc1nccc(Cl)c1[N+](=O)[O-] ZINC001157164749 1029487395 /nfs/dbraw/zinc/48/73/95/1029487395.db2.gz CLTZTWKMDIYVDW-NSHDSACASA-N 1 0 358.826 2.894 20 5 FFBDRO C[N@@H+]1CCC[C@@H]2CN(c3nc(C(F)(F)F)nc(Cl)c3[N+](=O)[O-])C[C@H]21 ZINC001157272459 1029531586 /nfs/dbraw/zinc/53/15/86/1029531586.db2.gz MYKQWQIGNFLMCT-HTQZYQBOSA-N 1 0 365.743 2.587 20 5 FFBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@@H](CC[NH3+])c2ccccc21 ZINC001157746211 1029654787 /nfs/dbraw/zinc/65/47/87/1029654787.db2.gz OCZBCVFUIQZHEA-GFCCVEGCSA-N 1 0 356.382 2.751 20 5 FFBDRO [NH3+]C[C@@]1(F)CCN(c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)nn2)C1 ZINC001157816141 1029669579 /nfs/dbraw/zinc/66/95/79/1029669579.db2.gz CMMZEFBXSUEXNT-HNNXBMFYSA-N 1 0 351.769 2.582 20 5 FFBDRO [NH3+]Cc1ccc2ncn(-c3cc([N+](=O)[O-])cc4c(Cl)ncnc43)c2c1 ZINC001158012085 1029708829 /nfs/dbraw/zinc/70/88/29/1029708829.db2.gz DADOYMQWPFZFQO-UHFFFAOYSA-N 1 0 354.757 2.989 20 5 FFBDRO Cc1ccccc1[C@H](CO)[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000782531735 1029734584 /nfs/dbraw/zinc/73/45/84/1029734584.db2.gz SIVYDIPYOFAROY-KRWDZBQOSA-N 1 0 361.373 2.694 20 5 FFBDRO COc1ccnc(N(c2ccc3[nH]cc([N+](=O)[O-])c3n2)C2CC[NH2+]CC2)c1 ZINC001158323151 1029796975 /nfs/dbraw/zinc/79/69/75/1029796975.db2.gz VZUHXVPGVMUGHY-UHFFFAOYSA-N 1 0 368.397 2.765 20 5 FFBDRO COc1cc(N(c2cc(Cl)cc([N+](=O)[O-])n2)C2CC[NH2+]CC2)ccn1 ZINC001158325252 1029798177 /nfs/dbraw/zinc/79/81/77/1029798177.db2.gz ODLPTHDXZJIBCH-UHFFFAOYSA-N 1 0 363.805 2.937 20 5 FFBDRO CCOC(=O)c1ccnc(N2CCCC[C@H]2C2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001165323668 1029946549 /nfs/dbraw/zinc/94/65/49/1029946549.db2.gz RMLZTHLDPUSLSI-HNNXBMFYSA-N 1 0 362.430 2.525 20 5 FFBDRO COc1cnc(N2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001165420487 1029974699 /nfs/dbraw/zinc/97/46/99/1029974699.db2.gz HXYFVYGGMKQHDO-APWZRJJASA-N 1 0 354.410 2.582 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H]1COC3(CCOCC3)O1)CCCC2 ZINC000841754375 1030446417 /nfs/dbraw/zinc/44/64/17/1030446417.db2.gz QBBSHFQOJFRDLJ-FUHWJXTLSA-N 1 0 362.426 2.874 20 5 FFBDRO N=c1nc([C@@H]2CCC[NH2+]2)ccn1-c1cc(Cl)nc2ccc([N+](=O)[O-])cc21 ZINC001166703414 1030488313 /nfs/dbraw/zinc/48/83/13/1030488313.db2.gz STYNISXJHBPBLH-ZDUSSCGKSA-N 1 0 370.800 2.886 20 5 FFBDRO O=C1NC2(CC[NH2+]CC2)N(c2ncc([N+](=O)[O-])cc2Cl)c2ccccc21 ZINC001166808004 1030525891 /nfs/dbraw/zinc/52/58/91/1030525891.db2.gz VGHANMSYGSICLA-UHFFFAOYSA-N 1 0 373.800 2.604 20 5 FFBDRO Cc1ccc(N(C)[C@H]2CCC[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)cc1 ZINC000784375012 1030594503 /nfs/dbraw/zinc/59/45/03/1030594503.db2.gz PHXWMUGDEHNUKG-SFHVURJKSA-N 1 0 370.453 2.666 20 5 FFBDRO O=[N+]([O-])c1ccc2ccc(-n3cc4c(cccc4N4CC[NH2+]CC4)n3)nc2c1 ZINC001166992043 1030601821 /nfs/dbraw/zinc/60/18/21/1030601821.db2.gz UIEDXPUZQYXJHW-UHFFFAOYSA-N 1 0 374.404 2.892 20 5 FFBDRO CCOC(=O)c1nc(Cl)nc(Nc2cccc(C[NH2+]C)c2)c1[N+](=O)[O-] ZINC001167032641 1030620805 /nfs/dbraw/zinc/62/08/05/1030620805.db2.gz GPJGLMOORWDVPP-UHFFFAOYSA-N 1 0 365.777 2.678 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ncn(C[N@@H+]3CCC[C@H]3[C@H]3CCCOC3)n2)cc1 ZINC000842613232 1030823232 /nfs/dbraw/zinc/82/32/32/1030823232.db2.gz BEIIXWLQJIEDCH-RDJZCZTQSA-N 1 0 357.414 2.702 20 5 FFBDRO C[N@H+](Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1)C[C@](C)(O)c1ccccc1 ZINC000842626962 1030851163 /nfs/dbraw/zinc/85/11/63/1030851163.db2.gz QNCLIUIDPCPAPZ-IBGZPJMESA-N 1 0 367.409 2.650 20 5 FFBDRO CC(C)NC(=O)OC[C@@H]1CCCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000796706219 1030888091 /nfs/dbraw/zinc/88/80/91/1030888091.db2.gz IZUDGJOBPMQLCJ-IRXDYDNUSA-N 1 0 365.430 2.617 20 5 FFBDRO [NH3+]C1CCN(c2ccc(-c3noc(-c4ccccc4[N+](=O)[O-])n3)cn2)CC1 ZINC000843145531 1031210183 /nfs/dbraw/zinc/21/01/83/1031210183.db2.gz JFZCHUIURRLTNV-UHFFFAOYSA-N 1 0 366.381 2.634 20 5 FFBDRO C[NH+]1CCC2(CCCN(c3cc4nc[nH]c(=O)c4cc3[N+](=O)[O-])C2)CC1 ZINC000798405553 1031397695 /nfs/dbraw/zinc/39/76/95/1031397695.db2.gz MYUORJOILFPRDO-UHFFFAOYSA-N 1 0 357.414 2.556 20 5 FFBDRO C[NH+](C)[C@H]1C[C@@H](NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C12CCC2 ZINC001149205744 1031457543 /nfs/dbraw/zinc/45/75/43/1031457543.db2.gz NEDVKGCLHWZDJG-OLZOCXBDSA-N 1 0 355.797 2.990 20 5 FFBDRO O=C(c1cc([N+](=O)[O-])ccc1F)N1CC[NH2+][C@@H](Cc2ccc(F)cc2)C1 ZINC001149542895 1031535753 /nfs/dbraw/zinc/53/57/53/1031535753.db2.gz PCBPCKFRDAKBDO-AWEZNQCLSA-N 1 0 361.348 2.530 20 5 FFBDRO C[N@@H+]1C[C@@]2(C)CN(C(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)C[C@@]2(C)C1 ZINC001149672721 1031568201 /nfs/dbraw/zinc/56/82/01/1031568201.db2.gz XROOWXMAKSWTQB-KDURUIRLSA-N 1 0 363.433 2.812 20 5 FFBDRO C[NH+]1CCC2(CCCN(C(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)C2)CC1 ZINC000799029657 1031616372 /nfs/dbraw/zinc/61/63/72/1031616372.db2.gz LMPQYKBNHYJKAQ-UHFFFAOYSA-N 1 0 370.453 2.884 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCCC2(CC[NH+](C)CC2)C1 ZINC000799178768 1031681549 /nfs/dbraw/zinc/68/15/49/1031681549.db2.gz JJFKYWZAGIKHQP-UHFFFAOYSA-N 1 0 360.458 2.650 20 5 FFBDRO C[NH+](C)C1(CNC(=O)COc2ccc([N+](=O)[O-])c(F)c2)CCCCCC1 ZINC001115916131 1032013752 /nfs/dbraw/zinc/01/37/52/1032013752.db2.gz XNRWWRCXNLSLII-UHFFFAOYSA-N 1 0 367.421 2.884 20 5 FFBDRO N[C@H](C[NH3+])c1ccc(C(=O)Nc2cc3cccnc3c3ncccc23)cc1 ZINC001218980022 1033441535 /nfs/dbraw/zinc/44/15/35/1033441535.db2.gz PQJPJZQCRGFMGZ-QGZVFWFLSA-N 1 0 357.417 2.994 20 5 FFBDRO CN(C)c1cc(F)c(C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)cc1[N+](=O)[O-] ZINC000830529802 1033658591 /nfs/dbraw/zinc/65/85/91/1033658591.db2.gz POCYDAPYLGDUPW-CYBMUJFWSA-N 1 0 364.421 2.547 20 5 FFBDRO C[NH2+]CCNC(=O)c1ccc2oc3cc(OC(C)C)ccc3c(=O)c2c1 ZINC001220060043 1033967214 /nfs/dbraw/zinc/96/72/14/1033967214.db2.gz FYIRAMCMXUWWNL-UHFFFAOYSA-N 1 0 354.406 2.683 20 5 FFBDRO CC1(C)[C@H]([NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@@H]2CCCO[C@@H]21 ZINC000831329682 1034037980 /nfs/dbraw/zinc/03/79/80/1034037980.db2.gz XZDBYZIPSJGVGP-VUCTXSBTSA-N 1 0 365.405 2.856 20 5 FFBDRO COC(=O)c1cc(OC)c(OC2CC[NH+](C(C)C)CC2)c([N+](=O)[O-])c1 ZINC001226362313 1034649819 /nfs/dbraw/zinc/64/98/19/1034649819.db2.gz OOVJQKGMOBNMGN-UHFFFAOYSA-N 1 0 352.387 2.642 20 5 FFBDRO CC1([NH+]2CCCCC2)CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000832242682 1034666979 /nfs/dbraw/zinc/66/69/79/1034666979.db2.gz AIRPGRUSZUEEKU-UHFFFAOYSA-N 1 0 364.421 2.797 20 5 FFBDRO CC(=O)O[C@@H]1C[C@@H]2C[C@H](Oc3ccc([N+](=O)[O-])cc3Cl)C[C@H]1[N@@H+]2C ZINC001226761787 1034825342 /nfs/dbraw/zinc/82/53/42/1034825342.db2.gz FSJMLKBQUGWHBN-CAVOSLQRSA-N 1 0 354.790 2.794 20 5 FFBDRO COCCC[NH+]1CCC(Oc2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC001227218208 1034974312 /nfs/dbraw/zinc/97/43/12/1034974312.db2.gz BOXJKDYRQJERAK-UHFFFAOYSA-N 1 0 361.398 2.728 20 5 FFBDRO CC1([NH+]2CCC2)CCC(NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000834796842 1035452436 /nfs/dbraw/zinc/45/24/36/1035452436.db2.gz XCZFHZQXFVFVKZ-UHFFFAOYSA-N 1 0 365.405 2.636 20 5 FFBDRO COc1cc(O[C@H](C)C[N+](C)(C)C)c2c(c1)oc1c(O)ccc(O)c1c2=O ZINC001227645851 1035653676 /nfs/dbraw/zinc/65/36/76/1035653676.db2.gz KHBKSLKYVOFXEQ-LLVKDONJSA-O 1 0 374.413 2.840 20 5 FFBDRO C[C@@H](C[NH+](C)C)Oc1cc(I)ccc1[N+](=O)[O-] ZINC001229152089 1036525092 /nfs/dbraw/zinc/52/50/92/1036525092.db2.gz KIOSTOKGOFJCGJ-QMMMGPOBSA-N 1 0 350.156 2.528 20 5 FFBDRO Cc1cc(S(=O)(=O)NCC(C)(C)[NH+]2CCCCC2)c([N+](=O)[O-])s1 ZINC001208163899 1038104809 /nfs/dbraw/zinc/10/48/09/1038104809.db2.gz YZWZOFOJKYMHFD-UHFFFAOYSA-N 1 0 361.489 2.508 20 5 FFBDRO COc1cc(N2CCC([NH2+]C[C@@H]3CCC[C@@H](O)C3)CC2)ccc1[N+](=O)[O-] ZINC001256090246 1038375176 /nfs/dbraw/zinc/37/51/76/1038375176.db2.gz PTBRNJHHODVSCF-RHSMWYFYSA-N 1 0 363.458 2.713 20 5 FFBDRO COc1cc(N2CCC([NH2+][C@H]3CCN(C)C[C@@H]3C)CC2)ccc1[N+](=O)[O-] ZINC001256094100 1038378486 /nfs/dbraw/zinc/37/84/86/1038378486.db2.gz GLKVUSRFMHFCRX-YOEHRIQHSA-N 1 0 362.474 2.502 20 5 FFBDRO C[C@@H]1C[N@@H+](CCc2nnc(-c3cc4ccc([N+](=O)[O-])cc4[nH]3)o2)C[C@H](C)O1 ZINC001258027807 1039126201 /nfs/dbraw/zinc/12/62/01/1039126201.db2.gz PZCRBAXRRRDOAU-TXEJJXNPSA-N 1 0 371.397 2.778 20 5 FFBDRO Cc1cc2nc3ccc(N(C)C)cc3nc2cc1NCC1(O)CC[NH2+]CC1 ZINC001245960700 1039165374 /nfs/dbraw/zinc/16/53/74/1039165374.db2.gz AVAQJJGSWAUVQH-UHFFFAOYSA-N 1 0 365.481 2.684 20 5 FFBDRO C[C@H]1C[NH+](CCc2nnc(-c3ccc([N+](=O)[O-])c(Cl)c3)o2)C[C@H](C)O1 ZINC001258136897 1039216349 /nfs/dbraw/zinc/21/63/49/1039216349.db2.gz DENWUWJCLPHJCQ-QWRGUYRKSA-N 1 0 366.805 2.950 20 5 FFBDRO C[C@@H]1C[N@@H+](CCc2nnc(-c3cccc([N+](=O)[O-])c3Cl)o2)C[C@H](C)O1 ZINC001258139695 1039219897 /nfs/dbraw/zinc/21/98/97/1039219897.db2.gz VOPNXQVKSKMSDC-PHIMTYICSA-N 1 0 366.805 2.950 20 5 FFBDRO C[C@@H]1C[NH+](CCc2nnc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C[C@@H](C)O1 ZINC001258139703 1039221425 /nfs/dbraw/zinc/22/14/25/1039221425.db2.gz VSHWYACCYSVMQO-GHMZBOCLSA-N 1 0 366.805 2.950 20 5 FFBDRO Cc1c([N+](=O)[O-])ccc(F)c1-c1nnc(CC[NH+]2C[C@@H](C)O[C@H](C)C2)o1 ZINC001258154462 1039234440 /nfs/dbraw/zinc/23/44/40/1039234440.db2.gz VUJNBTBGAFJKBN-GHMZBOCLSA-N 1 0 364.377 2.744 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CCC[C@]3(CC[NH2+]C3)C2)c1F ZINC001246626655 1039420870 /nfs/dbraw/zinc/42/08/70/1039420870.db2.gz HGPSFURMHCPGSW-FZKQIMNGSA-N 1 0 351.422 2.749 20 5 FFBDRO O=C(NC[C@H]1CCCC[N@H+]1CCO)Nc1ccc([N+](=O)[O-])c2ccccc12 ZINC001210683434 1039669464 /nfs/dbraw/zinc/66/94/64/1039669464.db2.gz UCIFTXSDARGSGU-CQSZACIVSA-N 1 0 372.425 2.716 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1Nc1ccc(N2CC[NH+](CCO)CC2)cc1 ZINC001211289560 1040062670 /nfs/dbraw/zinc/06/26/70/1040062670.db2.gz RUUBDPNQPGWOFN-UHFFFAOYSA-N 1 0 356.426 2.761 20 5 FFBDRO COc1ccc(-c2noc(C[C@H]([NH3+])Cc3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC001248215541 1040177486 /nfs/dbraw/zinc/17/74/86/1040177486.db2.gz GHWPWCNVYDTWLQ-CQSZACIVSA-N 1 0 354.366 2.766 20 5 FFBDRO COc1cc(-c2noc(C[C@H]([NH3+])Cc3ccc([N+](=O)[O-])cc3)n2)ccc1F ZINC001248215565 1040178324 /nfs/dbraw/zinc/17/83/24/1040178324.db2.gz HLLCSYOMWKZMNU-CYBMUJFWSA-N 1 0 372.356 2.905 20 5 FFBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@H]2C[NH2+]C[C@H]2c2ccccc2)n1 ZINC001249077294 1040571565 /nfs/dbraw/zinc/57/15/65/1040571565.db2.gz OIUMHTIYHJGWBQ-STQMWFEESA-N 1 0 355.329 2.650 20 5 FFBDRO CN(C)c1ccccc1-c1noc(C[C@@H]([NH3+])c2ccc([N+](=O)[O-])cc2)n1 ZINC001249343106 1040692093 /nfs/dbraw/zinc/69/20/93/1040692093.db2.gz XAPDRZIIKJSVBC-OAHLLOKOSA-N 1 0 353.382 2.953 20 5 FFBDRO COC(=O)[C@H]1C[C@@H](C)C[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254479888 1040744854 /nfs/dbraw/zinc/74/48/54/1040744854.db2.gz PFXNHPWZAAPREY-CABCVRRESA-N 1 0 361.442 2.695 20 5 FFBDRO COc1ccc(OC[C@@H](O)C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC001254535943 1040787595 /nfs/dbraw/zinc/78/75/95/1040787595.db2.gz MNUYHAWEFARLKQ-HOCLYGCPSA-N 1 0 360.410 2.564 20 5 FFBDRO Cc1cc(N2CCC([NH2+][C@H](C)Cc3ccccc3[N+](=O)[O-])CC2)ncn1 ZINC001254548357 1040793013 /nfs/dbraw/zinc/79/30/13/1040793013.db2.gz HTBMPUGFBGFCRM-OAHLLOKOSA-N 1 0 355.442 2.883 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCC(Oc2ncc(F)cn2)CC1 ZINC001254571302 1040807012 /nfs/dbraw/zinc/80/70/12/1040807012.db2.gz SABPSRLWVHOSTR-ZDUSSCGKSA-N 1 0 360.389 2.998 20 5 FFBDRO CCn1ncc2c1[C@@H](COC)C[N@@H+]([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254597626 1040826771 /nfs/dbraw/zinc/82/67/71/1040826771.db2.gz UIFBMOKVQPWTLT-SJLPKXTDSA-N 1 0 356.426 2.524 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@@H]2C[N@H+](Cc3cc4c(cc3[N+](=O)[O-])OCCO4)C[C@H]2C1 ZINC001262379322 1041667090 /nfs/dbraw/zinc/66/70/90/1041667090.db2.gz XKKICSZPKPPPRS-IIAWOOMASA-N 1 0 361.442 2.528 20 5 FFBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)CCc3ccsc3)c2)CC1 ZINC001262812004 1041871821 /nfs/dbraw/zinc/87/18/21/1041871821.db2.gz IAEOXGPZZGGPBC-UHFFFAOYSA-N 1 0 374.466 2.979 20 5 FFBDRO C[C@@H]1C[NH2+][C@@H](C)[C@@H](C)N1C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001263202343 1042168980 /nfs/dbraw/zinc/16/89/80/1042168980.db2.gz XKZKIJABCFUIPT-GRYCIOLGSA-N 1 0 360.439 2.929 20 5 FFBDRO O=C(NCc1ccc(CC[NH2+]CC2CCCCC2)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001266083732 1042893895 /nfs/dbraw/zinc/89/38/95/1042893895.db2.gz MEPVGOATROWABX-RTBURBONSA-N 1 0 359.470 2.680 20 5 FFBDRO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC001310077183 1043633015 /nfs/dbraw/zinc/63/30/15/1043633015.db2.gz KOLHVSPJSCXDBM-OCCSQVGLSA-N 1 0 370.862 2.950 20 5 FFBDRO Cc1nccn1-c1cc[nH+]cc1NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC001318864917 1044913322 /nfs/dbraw/zinc/91/33/22/1044913322.db2.gz DPQWBJHWMGQOMR-UHFFFAOYSA-N 1 0 366.381 2.559 20 5 FFBDRO Cn1cc(N2CC[C@H]([NH2+][C@H]3CC(C)(C)c4ccc([N+](=O)[O-])cc43)C2)cn1 ZINC001320989859 1045508047 /nfs/dbraw/zinc/50/80/47/1045508047.db2.gz UPODGLGUWPUVFD-UGSOOPFHSA-N 1 0 355.442 2.919 20 5 FFBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001323275245 1045526571 /nfs/dbraw/zinc/52/65/71/1045526571.db2.gz SBBGQZDYGLPSPF-GASCZTMLSA-N 1 0 360.458 2.988 20 5 FFBDRO COCC[N@H+](C)CCCC1CCN(c2c(C)cncc2[N+](=O)[O-])CC1 ZINC001323162395 1046367127 /nfs/dbraw/zinc/36/71/27/1046367127.db2.gz SVPLCBWOWPWTBL-UHFFFAOYSA-N 1 0 350.463 2.873 20 5 FFBDRO Cn1cc(N2CC[C@H]([NH2+][C@H]3CCCCc4ccc([N+](=O)[O-])cc43)C2)cn1 ZINC001325313963 1046464368 /nfs/dbraw/zinc/46/43/68/1046464368.db2.gz UJLNVZGJZFVPFO-KXBFYZLASA-N 1 0 355.442 2.964 20 5 FFBDRO Cc1c(C(=O)O[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc2c[nH+]cn21 ZINC001325421452 1046503090 /nfs/dbraw/zinc/50/30/90/1046503090.db2.gz FDALFRXAKWBVBL-GFCCVEGCSA-N 1 0 368.349 2.735 20 5 FFBDRO CC(C)(C)[NH+]1CCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)CC1 ZINC001326417872 1046925391 /nfs/dbraw/zinc/92/53/91/1046925391.db2.gz OZQSNHSZIOSWMD-UHFFFAOYSA-N 1 0 357.414 2.541 20 5 FFBDRO CCOC(=O)C[C@H]1CCC[N@@H+]1Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC001326795209 1047090907 /nfs/dbraw/zinc/09/09/07/1047090907.db2.gz APMUVYGYPMPKCF-OAHLLOKOSA-N 1 0 358.398 2.833 20 5 FFBDRO CCOP(=O)(OCC)[C@H](O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001327511189 1047927647 /nfs/dbraw/zinc/92/76/47/1047927647.db2.gz DRBQZSJGOLOOFQ-HNNXBMFYSA-N 1 0 358.331 2.537 20 5 FFBDRO C[NH+]1CCC(n2cc(NC(=O)c3ccc([N+](=O)[O-])c(Cl)c3)cn2)CC1 ZINC001332193543 1048293333 /nfs/dbraw/zinc/29/33/33/1048293333.db2.gz HEDGXKLXXBQQFI-UHFFFAOYSA-N 1 0 363.805 2.964 20 5 FFBDRO C[C@@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)CN(C)C(=O)OC(C)(C)C ZINC001329139661 1048593711 /nfs/dbraw/zinc/59/37/11/1048593711.db2.gz CASWOPQADYLHDV-BBRMVZONSA-N 1 0 367.446 2.721 20 5 FFBDRO Cc1cc(OCC(=O)N2CC[NH+](CCC(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC001291909331 1048986145 /nfs/dbraw/zinc/98/61/45/1048986145.db2.gz VXGOAXHVBRQVFM-UHFFFAOYSA-N 1 0 363.458 2.862 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(C[NH2+][C@@H]2CCOC[C@H]2O)o1 ZINC001330639638 1049244177 /nfs/dbraw/zinc/24/41/77/1049244177.db2.gz UASNFJPVBXZFJC-UKRRQHHQSA-N 1 0 352.774 2.748 20 5 FFBDRO CC(C)NC(=O)c1ccc(N2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC001334336512 1049378775 /nfs/dbraw/zinc/37/87/75/1049378775.db2.gz OFJVALZUDWCNHZ-ULQDDVLXSA-N 1 0 374.485 2.900 20 5 FFBDRO C[NH2+]C[C@H]1CCCCN1C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001330929275 1049396317 /nfs/dbraw/zinc/39/63/17/1049396317.db2.gz JHDUIFGBBCGWGV-CQSZACIVSA-N 1 0 360.439 2.932 20 5 FFBDRO COc1cccc([C@@H]2C[NH2+]CCN2C(=O)c2cccc([N+](=O)[O-])c2C)c1 ZINC001330951514 1049408035 /nfs/dbraw/zinc/40/80/35/1049408035.db2.gz TYSFPJDLAQRNJN-SFHVURJKSA-N 1 0 355.394 2.699 20 5 FFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@]3(O)CCC[C@H](C(F)(F)F)C3)C2)c1 ZINC001331075878 1049462916 /nfs/dbraw/zinc/46/29/16/1049462916.db2.gz YIRVAMILBCZIQX-BBCYWQGDSA-N 1 0 362.352 2.568 20 5 FFBDRO Cc1ccc([C@@H](C)[NH2+]CCN2C(=O)COc3ccccc32)cc1[N+](=O)[O-] ZINC001341684615 1050306661 /nfs/dbraw/zinc/30/66/61/1050306661.db2.gz PQJYBMXDRXKVNZ-CQSZACIVSA-N 1 0 355.394 2.979 20 5 FFBDRO COc1cc(C[NH2+][C@@H](C)CC(=O)OC(C)(C)C)c([N+](=O)[O-])cc1OC ZINC001341794677 1050407250 /nfs/dbraw/zinc/40/72/50/1050407250.db2.gz MNDPGXYPZBQPEE-NSHDSACASA-N 1 0 354.403 2.822 20 5 FFBDRO C[C@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC001301485427 1050904451 /nfs/dbraw/zinc/90/44/51/1050904451.db2.gz ZDEXBZVXNIEXJC-RHSMWYFYSA-N 1 0 373.457 2.523 20 5 FFBDRO O=C(NC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001341060212 1051401120 /nfs/dbraw/zinc/40/11/20/1051401120.db2.gz FHXUJNLBHUDBAY-RBUKOAKNSA-N 1 0 366.421 2.879 20 5 FFBDRO C[C@@H](CNC(=O)c1ccc2c(c1)OCC[NH2+]C2)c1ccccc1[N+](=O)[O-] ZINC001342945528 1051560005 /nfs/dbraw/zinc/56/00/05/1051560005.db2.gz VHRQGUKYRNUOAD-ZDUSSCGKSA-N 1 0 355.394 2.610 20 5 FFBDRO [NH3+]C[C@]12CC[C@@H]1CCCN2C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001342958325 1051573867 /nfs/dbraw/zinc/57/38/67/1051573867.db2.gz DQFNLOHYWSQXSG-OXJNMPFZSA-N 1 0 372.469 2.541 20 5 FFBDRO [NH3+]C[C@@]12CC[C@@H]1CCCN2C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001342958324 1051574489 /nfs/dbraw/zinc/57/44/89/1051574489.db2.gz DQFNLOHYWSQXSG-JXFKEZNVSA-N 1 0 372.469 2.541 20 5 FFBDRO C[NH2+]CCOc1cccc(C(=O)NC[C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC001341319157 1051673255 /nfs/dbraw/zinc/67/32/55/1051673255.db2.gz UPEKKHHSYHCBIM-CQSZACIVSA-N 1 0 357.410 2.727 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2nnc(CC[NH+]3CCN(c4ccccc4)CC3)o2)o1 ZINC001341346739 1051705871 /nfs/dbraw/zinc/70/58/71/1051705871.db2.gz JDIRMUPNBFTUOI-UHFFFAOYSA-N 1 0 369.381 2.603 20 5 FFBDRO C[C@H]1CCC[N@@H+]1CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCC1 ZINC001305057851 1051792486 /nfs/dbraw/zinc/79/24/86/1051792486.db2.gz DGNNUBHPGFCJFP-HNNXBMFYSA-N 1 0 370.457 2.938 20 5 FFBDRO C[N@H+](Cc1ccccc1)C1(CNc2ccncc2[N+](=O)[O-])CCOCC1 ZINC001343246139 1052099904 /nfs/dbraw/zinc/09/99/04/1052099904.db2.gz JYULLWLITQRQRQ-UHFFFAOYSA-N 1 0 356.426 2.505 20 5 FFBDRO O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)c[nH]1)[C@H]1CC[N@@H+]1C1CCCC1 ZINC001306865128 1052205995 /nfs/dbraw/zinc/20/59/95/1052205995.db2.gz FODAXBUTTWUJRW-MRXNPFEDSA-N 1 0 355.398 2.940 20 5 FFBDRO CC(C)(C)OCCC[NH+]1CCN(c2nc3ccccn3c2[N+](=O)[O-])CC1 ZINC001307198429 1052266998 /nfs/dbraw/zinc/26/69/98/1052266998.db2.gz NSCGCKWIPGMWNT-UHFFFAOYSA-N 1 0 361.446 2.570 20 5 FFBDRO C[C@@](CO)([NH2+]C[C@@H](O)c1cc2ccccc2o1)c1cccc([N+](=O)[O-])c1 ZINC001308000655 1052381309 /nfs/dbraw/zinc/38/13/09/1052381309.db2.gz WXJVHCKTFPKFHR-APWZRJJASA-N 1 0 356.378 2.872 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001308068562 1052398525 /nfs/dbraw/zinc/39/85/25/1052398525.db2.gz QLXWJRFNNXTIKK-NSHDSACASA-N 1 0 374.353 2.801 20 5 FFBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCOC[C@@H]2CC2CCOCC2)cc1 ZINC001308137895 1052415315 /nfs/dbraw/zinc/41/53/15/1052415315.db2.gz WDHVZTRMDFKTOK-SFHVURJKSA-N 1 0 364.442 2.881 20 5 FFBDRO O=C(c1ccn(-c2cc[nH+]cc2)n1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001343823955 1052438667 /nfs/dbraw/zinc/43/86/67/1052438667.db2.gz UXJHGXFGTAURPB-UHFFFAOYSA-N 1 0 363.377 2.980 20 5 FFBDRO O=C(Nc1nc(C2CC[NH2+]CC2)cs1)c1cc(F)ccc1[N+](=O)[O-] ZINC001345482792 1052468448 /nfs/dbraw/zinc/46/84/48/1052468448.db2.gz GTDZJKDFHUEWSZ-UHFFFAOYSA-N 1 0 350.375 2.910 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)c3cc(Cl)c(N)c([N+](=O)[O-])c3)C[C@@H]2C1 ZINC001334848989 1053113687 /nfs/dbraw/zinc/11/36/87/1053113687.db2.gz KAMPSZFBCXTZRM-KGYLQXTDSA-N 1 0 366.849 2.633 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)NCCc3ccc([N+](=O)[O-])cc3)C[C@H]2C1 ZINC001334918224 1053149897 /nfs/dbraw/zinc/14/98/97/1053149897.db2.gz PCEPDBXKDUCTJD-JFIYKMOQSA-N 1 0 360.458 2.509 20 5 FFBDRO C[C@H](CNC(=O)N1CCCC[C@]2(CC[NH2+]C2)C1)c1ccccc1[N+](=O)[O-] ZINC001336255105 1053872301 /nfs/dbraw/zinc/87/23/01/1053872301.db2.gz JATGBRHYTZUZDX-DNVCBOLYSA-N 1 0 360.458 2.874 20 5 FFBDRO Cn1ccnc1C[C@@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC001336704070 1054150937 /nfs/dbraw/zinc/15/09/37/1054150937.db2.gz NTLLCVDYTYMQRJ-MOPGFXCFSA-N 1 0 366.421 2.935 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C3CCOCC3)CC2)c2ncccc12 ZINC001337266326 1054606990 /nfs/dbraw/zinc/60/69/90/1054606990.db2.gz BTKUPAORDFOIDR-UHFFFAOYSA-N 1 0 356.426 2.880 20 5 FFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc([C@H]2CCC[N@H+](C)C2)n1C ZINC001338487660 1055559376 /nfs/dbraw/zinc/55/93/76/1055559376.db2.gz JHCFLASWHKJJGL-INIZCTEOSA-N 1 0 372.473 2.948 20 5 FFBDRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3csc([N+](=O)[O-])c3)n2C)C1 ZINC001350402692 1055757833 /nfs/dbraw/zinc/75/78/33/1055757833.db2.gz UDXSHIVGVOKJQP-GFCCVEGCSA-N 1 0 364.475 2.620 20 5 FFBDRO Cn1c(-c2ccc([N+](=O)[O-])s2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001338720996 1055758584 /nfs/dbraw/zinc/75/85/84/1055758584.db2.gz QFWGSFIPCAOZHD-GFCCVEGCSA-N 1 0 362.459 2.516 20 5 FFBDRO O=C(CC[NH2+][C@H]1CCCN(CC(F)(F)F)C1)Nc1ccccc1[N+](=O)[O-] ZINC001357208718 1055822663 /nfs/dbraw/zinc/82/26/63/1055822663.db2.gz BMYUEONLNVMHNK-LBPRGKRZSA-N 1 0 374.363 2.540 20 5 FFBDRO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC001338826428 1055850579 /nfs/dbraw/zinc/85/05/79/1055850579.db2.gz XOVFUJMEBCLNIR-STQMWFEESA-N 1 0 370.247 2.960 20 5 FFBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)COc1ccc(CCC[NH3+])cc1)CC2 ZINC001357589121 1055957540 /nfs/dbraw/zinc/95/75/40/1055957540.db2.gz YXBXJOZEKACBIU-UHFFFAOYSA-N 1 0 369.421 2.763 20 5 FFBDRO Cc1cccc(C(=O)N[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1[N+](=O)[O-] ZINC001358495056 1056337694 /nfs/dbraw/zinc/33/76/94/1056337694.db2.gz VNXTVHXHHNLGKQ-OXQOHEQNSA-N 1 0 367.405 2.889 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC001358495222 1056339253 /nfs/dbraw/zinc/33/92/53/1056339253.db2.gz XQFHLIIPJCOIAG-PXNSSMCTSA-N 1 0 367.405 2.889 20 5 FFBDRO C[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](C)C1)[NH+](C)C ZINC001544324783 1071627932 /nfs/dbraw/zinc/62/79/32/1071627932.db2.gz OEGFVCHVUPANCR-KBPBESRZSA-N 1 0 358.446 2.650 20 5 FFBDRO CCOC(=O)c1ccnc(NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000609964626 1056426065 /nfs/dbraw/zinc/42/60/65/1056426065.db2.gz NPRGKIPQAVNNJE-OKILXGFUSA-N 1 0 364.446 2.946 20 5 FFBDRO [NH2+]=C(NCCOc1ccc([N+](=O)[O-])cc1)Nc1ccc2c(c1)OCCCO2 ZINC000849100236 1056760861 /nfs/dbraw/zinc/76/08/61/1056760861.db2.gz HIALPHMWBOHJAQ-UHFFFAOYSA-N 1 0 372.381 2.771 20 5 FFBDRO C[N@@H+]1CCN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])C[C@@H]1C(C)(C)C ZINC001452609008 1059259605 /nfs/dbraw/zinc/25/96/05/1059259605.db2.gz OBPKPLCTLYLYAO-MRXNPFEDSA-N 1 0 351.422 2.855 20 5 FFBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)C[C@H]1C ZINC001520580855 1059830461 /nfs/dbraw/zinc/83/04/61/1059830461.db2.gz QZNSHTIHZBWFSC-OLZOCXBDSA-N 1 0 356.426 2.885 20 5 FFBDRO COC(=O)CC1CCN(Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)CC1 ZINC000848475565 1060096152 /nfs/dbraw/zinc/09/61/52/1060096152.db2.gz SMDOJPHPNFRIMA-UHFFFAOYSA-N 1 0 358.398 2.691 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(c3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)C[C@H]2C1 ZINC001355361568 1060170296 /nfs/dbraw/zinc/17/02/96/1060170296.db2.gz FVUILEFLQZFOPC-RBSFLKMASA-N 1 0 358.442 2.646 20 5 FFBDRO CC(C)Oc1nc(NC2CC[NH+](C[C@@H]3CCCO3)CC2)ccc1[N+](=O)[O-] ZINC000848645351 1060393520 /nfs/dbraw/zinc/39/35/20/1060393520.db2.gz JLNXAQPBCHSBSU-HNNXBMFYSA-N 1 0 364.446 2.832 20 5 FFBDRO COc1ccc(CNC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)c(F)c1 ZINC001517507843 1060529490 /nfs/dbraw/zinc/52/94/90/1060529490.db2.gz ZURQJFHFZREGFZ-UHFFFAOYSA-N 1 0 370.340 2.858 20 5 FFBDRO O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000848783794 1060687693 /nfs/dbraw/zinc/68/76/93/1060687693.db2.gz CYSGIBPJPMTPNY-QZTJIDSGSA-N 1 0 358.442 2.916 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](CN(C)Cc1ccccc1)C(C)C ZINC001460001153 1060870690 /nfs/dbraw/zinc/87/06/90/1060870690.db2.gz ZHZWLJPLGGOZSU-SFHVURJKSA-N 1 0 359.474 2.846 20 5 FFBDRO O=C(CC[N@@H+]1CCCC[C@]12CCOC2)Nc1cc([N+](=O)[O-])ccc1F ZINC001460957901 1061164384 /nfs/dbraw/zinc/16/43/84/1061164384.db2.gz AQLYAKGVLMEHMO-QGZVFWFLSA-N 1 0 351.378 2.708 20 5 FFBDRO Cc1ccc(Sc2ccc(C[NH2+]C[C@@H](O)[C@H](C)O)cc2[N+](=O)[O-])cc1 ZINC001461670191 1061373158 /nfs/dbraw/zinc/37/31/58/1061373158.db2.gz OYJLIIPRFLRAGM-SUMWQHHRSA-N 1 0 362.451 2.886 20 5 FFBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2(n3cc(Br)cn3)CC2)c(F)c1 ZINC001462562453 1061672271 /nfs/dbraw/zinc/67/22/71/1061672271.db2.gz FQOZRPRYWGKBSX-UHFFFAOYSA-N 1 0 369.194 2.972 20 5 FFBDRO CC[C@H](CCC(F)(F)F)[NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001462575035 1061676789 /nfs/dbraw/zinc/67/67/89/1061676789.db2.gz ODEQSVJNZLCYQP-MRVWCRGKSA-N 1 0 350.337 2.700 20 5 FFBDRO CCCN(CC[NH+](CC)CC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C ZINC001463487997 1062127040 /nfs/dbraw/zinc/12/70/40/1062127040.db2.gz CPCAHNYQNNQHTB-UHFFFAOYSA-N 1 0 371.503 2.954 20 5 FFBDRO CCCN(CC[NH+]1CCCC1)S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC001463675015 1062208222 /nfs/dbraw/zinc/20/82/22/1062208222.db2.gz KOKSJCQSPJUDCR-UHFFFAOYSA-N 1 0 369.487 2.708 20 5 FFBDRO [NH3+]C[C@@]12CC[C@@H]1CCCN2C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC001523407803 1062455621 /nfs/dbraw/zinc/45/56/21/1062455621.db2.gz NFKJSXMBNUPIRE-KXBFYZLASA-N 1 0 358.442 2.539 20 5 FFBDRO Cc1nc(NC(=O)CCc2ccc(OCC[NH+](C)C)cc2)ccc1[N+](=O)[O-] ZINC001533834238 1063418298 /nfs/dbraw/zinc/41/82/98/1063418298.db2.gz JHOGAJWVCLPQJT-UHFFFAOYSA-N 1 0 372.425 2.810 20 5 FFBDRO C[C@@H](CNC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](C)C1 ZINC001441359652 1063427785 /nfs/dbraw/zinc/42/77/85/1063427785.db2.gz HCQVPESHTQDPFL-QWRGUYRKSA-N 1 0 354.838 2.681 20 5 FFBDRO C[C@H](NC(=O)Nc1cnn(C2CC[NH+](C)CC2)c1)c1ccc([N+](=O)[O-])cc1 ZINC001467140797 1063650932 /nfs/dbraw/zinc/65/09/32/1063650932.db2.gz UFKKMRAFUQPLAO-ZDUSSCGKSA-N 1 0 372.429 2.941 20 5 FFBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)N[C@@H]3C[C@H]4CCC[C@H]43)c2)CC1 ZINC001467374292 1063726625 /nfs/dbraw/zinc/72/66/25/1063726625.db2.gz YSBGJVFSXXPZED-FVQBIDKESA-N 1 0 373.457 2.657 20 5 FFBDRO CN(C)CC[N@H+](C)CCCNC(=O)Nc1ccc([N+](=O)[O-])c2ccccc12 ZINC001467550458 1063778408 /nfs/dbraw/zinc/77/84/08/1063778408.db2.gz XEQHMNLRPWHHQX-UHFFFAOYSA-N 1 0 373.457 2.753 20 5 FFBDRO O=C(Nc1ccccc1Nc1cc[nH+]cc1)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001467665343 1063811535 /nfs/dbraw/zinc/81/15/35/1063811535.db2.gz WYHWLCLWJANQDU-UHFFFAOYSA-N 1 0 358.745 2.784 20 5 FFBDRO CC[N@H+]1[C@H](C)CN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C[C@@H]1C ZINC001469607200 1064178376 /nfs/dbraw/zinc/17/83/76/1064178376.db2.gz YRLKQZALRCPWGD-GASCZTMLSA-N 1 0 360.458 2.750 20 5 FFBDRO CCC1([NH+](C)C)CCN(C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)CC1 ZINC001470888928 1064480938 /nfs/dbraw/zinc/48/09/38/1064480938.db2.gz ICAQRXVWNOXPIJ-UHFFFAOYSA-N 1 0 364.402 2.758 20 5 FFBDRO C[C@@H](C(=O)Nc1ccc2c(c1)OCC[NH2+]C2)c1ccc([N+](=O)[O-])cc1F ZINC001575082488 1078104056 /nfs/dbraw/zinc/10/40/56/1078104056.db2.gz PHGHSGVAFFTOFF-LLVKDONJSA-N 1 0 359.357 2.958 20 5 FFBDRO COc1ccc2ncc([N+](=O)[O-])c(NC3CC[NH+](CC4CC4)CC3)c2c1 ZINC001472668848 1065124545 /nfs/dbraw/zinc/12/45/45/1065124545.db2.gz AOPNTGILPGVLOF-UHFFFAOYSA-N 1 0 356.426 2.860 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001472883092 1065166985 /nfs/dbraw/zinc/16/69/85/1065166985.db2.gz FFROWZNUBYKTHI-MRXNPFEDSA-N 1 0 355.394 2.841 20 5 FFBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC001473767928 1065352253 /nfs/dbraw/zinc/35/22/53/1065352253.db2.gz PWJYBKWMINKABT-INIZCTEOSA-N 1 0 371.393 2.931 20 5 FFBDRO C[C@@H](Nc1ccc(C(=O)N(C)C[C@H](C)[NH3+])cc1[N+](=O)[O-])c1ccccn1 ZINC001576149371 1078200734 /nfs/dbraw/zinc/20/07/34/1078200734.db2.gz GXWLNKLBDXIQAN-QWHCGFSZSA-N 1 0 357.414 2.582 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCc2cc(F)cc(F)c2C1 ZINC001473904170 1065415341 /nfs/dbraw/zinc/41/53/41/1065415341.db2.gz PFVILUXFOSVJLO-AWEZNQCLSA-N 1 0 364.348 2.671 20 5 FFBDRO COC1(OC)CC(C[NH2+]Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC001474303478 1065489091 /nfs/dbraw/zinc/48/90/91/1065489091.db2.gz BDAQVYQTDRMGPE-UHFFFAOYSA-N 1 0 359.220 2.846 20 5 FFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1CN1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC001474372731 1065505834 /nfs/dbraw/zinc/50/58/34/1065505834.db2.gz NNAYIAVDGRCIKM-GDBMZVCRSA-N 1 0 373.375 2.645 20 5 FFBDRO Cc1ccc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1[N+](=O)[O-] ZINC001474665406 1065573987 /nfs/dbraw/zinc/57/39/87/1065573987.db2.gz CEHAWRODEHOADZ-UHFFFAOYSA-N 1 0 371.397 2.965 20 5 FFBDRO C[C@@H]1CN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC2(CC[NH2+]CC2)O1 ZINC001576812784 1078277295 /nfs/dbraw/zinc/27/72/95/1078277295.db2.gz OXICTTFWYAQZMB-LLVKDONJSA-N 1 0 359.348 2.961 20 5 FFBDRO CCC[NH2+]CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H]2CCC[C@H]21 ZINC001577561585 1078376339 /nfs/dbraw/zinc/37/63/39/1078376339.db2.gz FEVPCIMVDVRZRG-DOTOQJQBSA-N 1 0 370.457 2.842 20 5 FFBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H]([NH3+])Cc1ccc2cc[nH]c2c1 ZINC001578496671 1078482298 /nfs/dbraw/zinc/48/22/98/1078482298.db2.gz NGDCJFSMFYHVLR-MRXNPFEDSA-N 1 0 352.394 2.605 20 5 FFBDRO C[NH2+]C[C@H](C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CC1CC1 ZINC001578628597 1078505797 /nfs/dbraw/zinc/50/57/97/1078505797.db2.gz FXLKAEDXIJUDPI-ZDUSSCGKSA-N 1 0 358.446 2.555 20 5 FFBDRO C[C@H](NC(=O)Nc1cnn(C2CC[NH2+]CC2)c1)c1ccccc1[N+](=O)[O-] ZINC001579484458 1078634605 /nfs/dbraw/zinc/63/46/05/1078634605.db2.gz IQAPGJCERFBNMQ-LBPRGKRZSA-N 1 0 358.402 2.599 20 5 FFBDRO [NH3+]Cc1cccc(OC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3F)n2)c1 ZINC001580344817 1078789476 /nfs/dbraw/zinc/78/94/76/1078789476.db2.gz XQECEGMTRLJYCX-UHFFFAOYSA-N 1 0 356.313 2.598 20 5 FFBDRO [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N[C@@H](c2cccc([N+](=O)[O-])c2F)C(F)(F)F)C1 ZINC001580401947 1078797598 /nfs/dbraw/zinc/79/75/98/1078797598.db2.gz GJMBUMGAANMFNW-XUJAQABUSA-N 1 0 361.295 2.581 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1C[C@H]([NH+](C)C)C1(C)C ZINC001557155542 1075816062 /nfs/dbraw/zinc/81/60/62/1075816062.db2.gz NZRLEZJIHLSDHJ-LKTVYLICSA-N 1 0 369.849 2.860 20 5 FFBDRO Nc1c(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc2ccccc2c1[N+](=O)[O-] ZINC001585629531 1079482158 /nfs/dbraw/zinc/48/21/58/1079482158.db2.gz XCSLMYUZUBDOIK-ZIAGYGMSSA-N 1 0 354.410 2.687 20 5 FFBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(Nc2cc[nH+]cc2)cc1 ZINC001557711846 1075877558 /nfs/dbraw/zinc/87/75/58/1075877558.db2.gz SPWXPESVUAPWDS-UHFFFAOYSA-N 1 0 363.377 2.668 20 5 FFBDRO C[NH+]1C[C@@]2(C)CN(C(=O)CCc3ccc([N+](=O)[O-])cc3Cl)C[C@]2(C)C1 ZINC001557741023 1075882580 /nfs/dbraw/zinc/88/25/80/1075882580.db2.gz HPZPPJCDDWILFH-ROUUACIJSA-N 1 0 365.861 2.981 20 5 FFBDRO C[NH+]1CCC(CNC(=O)c2cc([N+](=O)[O-])ccc2N)(c2ccccc2)CC1 ZINC001557742813 1075883055 /nfs/dbraw/zinc/88/30/55/1075883055.db2.gz KZVOGKQVSHXQNF-UHFFFAOYSA-N 1 0 368.437 2.570 20 5 FFBDRO Nc1cc(CCCCNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)cc[nH+]1 ZINC001558884799 1076097692 /nfs/dbraw/zinc/09/76/92/1076097692.db2.gz IBAISOVQSOELCA-DLBZAZTESA-N 1 0 354.410 2.815 20 5 FFBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CCCC[N@H+]2CCO)nc1-c1ccccc1 ZINC001559195472 1076133990 /nfs/dbraw/zinc/13/39/90/1076133990.db2.gz KGYNENXXMYYKAN-INIZCTEOSA-N 1 0 356.426 2.916 20 5 FFBDRO C[N@H+](CCc1ccccc1)[C@@H]1CCN(c2cc(F)c([N+](=O)[O-])cc2CO)C1 ZINC001559230809 1076137175 /nfs/dbraw/zinc/13/71/75/1076137175.db2.gz PLQQEZXFSQUYFK-QGZVFWFLSA-N 1 0 373.428 2.979 20 5 FFBDRO C[NH+](C)C[C@H]1COC2(CCCC2)CN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC001560006134 1076212595 /nfs/dbraw/zinc/21/25/95/1076212595.db2.gz VATDJMZDEMFVAM-HNNXBMFYSA-N 1 0 351.422 2.809 20 5 FFBDRO Cc1c(C[NH2+][C@H]2CC(=O)N(CCOc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC001560350092 1076267052 /nfs/dbraw/zinc/26/70/52/1076267052.db2.gz IEXNKLOBIGGITA-KRWDZBQOSA-N 1 0 369.421 2.673 20 5 FFBDRO C[C@@H](C[NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)c1cc(F)cc(F)c1 ZINC001560998903 1076317698 /nfs/dbraw/zinc/31/76/98/1076317698.db2.gz JFVWKKLOMLJZKT-UZCIPKQKSA-N 1 0 366.364 2.661 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)cc1F ZINC001561309337 1076360477 /nfs/dbraw/zinc/36/04/77/1076360477.db2.gz XVSUTUZMTMKEQX-CYBMUJFWSA-N 1 0 373.450 2.537 20 5 FFBDRO Cc1ccc(S(=O)(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC001561474841 1076382201 /nfs/dbraw/zinc/38/22/01/1076382201.db2.gz RJGUOXSUSZBAOM-OCCSQVGLSA-N 1 0 369.487 2.610 20 5 FFBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC001562587476 1076505794 /nfs/dbraw/zinc/50/57/94/1076505794.db2.gz GDGPNEHVTAUEHQ-GUYCJALGSA-N 1 0 357.414 2.533 20 5 FFBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)N[C@H]3CCC3(C)C)c2)CC1 ZINC001563310158 1076540950 /nfs/dbraw/zinc/54/09/50/1076540950.db2.gz MWNWWJVQZPGDBJ-INIZCTEOSA-N 1 0 361.446 2.657 20 5 FFBDRO CN(CCC[NH+]1CCCC1)C(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001568152588 1077074816 /nfs/dbraw/zinc/07/48/16/1077074816.db2.gz HCHHJAZBOMLVAD-UHFFFAOYSA-N 1 0 356.426 2.888 20 5 FFBDRO O=C(NCC1([NH2+]CCc2ccc3ccccc3c2)CCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001570104225 1077182711 /nfs/dbraw/zinc/18/27/11/1077182711.db2.gz YUZOQUNXUXRRSN-RTBURBONSA-N 1 0 367.449 2.676 20 5 FFBDRO C[C@]12CN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C[C@]1(C)C[NH+](Cc1ccccc1)C2 ZINC001586472426 1079635010 /nfs/dbraw/zinc/63/50/10/1079635010.db2.gz YJRFLYRCCTZZIH-PMACEKPBSA-N 1 0 368.437 2.907 20 5 FFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1C ZINC001586485481 1079637957 /nfs/dbraw/zinc/63/79/57/1079637957.db2.gz VJSXACWYRJUOMP-KUHUBIRLSA-N 1 0 368.437 2.939 20 5 FFBDRO O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N1CCN(c2cc[nH+]cc2)CC1 ZINC001587335727 1079774818 /nfs/dbraw/zinc/77/48/18/1079774818.db2.gz ZTBKSJPKFPIINW-UHFFFAOYSA-N 1 0 360.801 2.535 20 5 FFBDRO CC(C)[N@H+](CCc1nccs1)Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001589695763 1080673964 /nfs/dbraw/zinc/67/39/64/1080673964.db2.gz VFEFUVQXWMOUIQ-UHFFFAOYSA-N 1 0 373.442 2.685 20 5 FFBDRO C[C@@H](Nc1ccc(-c2nn[nH]n2)c([N+](=O)[O-])c1)[C@@H](c1ccccc1)[NH+](C)C ZINC001589980795 1080920188 /nfs/dbraw/zinc/92/01/88/1080920188.db2.gz FEOQNZQPSFVWAK-PXAZEXFGSA-N 1 0 367.413 2.878 20 5 FFBDRO COc1cc(C[NH2+]C[C@@H](c2ccco2)N2CCCC2)c([N+](=O)[O-])cc1O ZINC000101588792 250081622 /nfs/dbraw/zinc/08/16/22/250081622.db2.gz RWZSSMSAKFMPNX-HNNXBMFYSA-N 1 0 361.398 2.829 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)C[NH+]2CCCCC2)cc1SC ZINC000103069352 250133174 /nfs/dbraw/zinc/13/31/74/250133174.db2.gz UUZDRHYHYDGGFK-LBPRGKRZSA-N 1 0 367.471 2.930 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)NC[C@H](C)[N@H+](C)C2CC2)cc1SC ZINC000103085385 250135452 /nfs/dbraw/zinc/13/54/52/250135452.db2.gz PGNDCULKVSIOLX-JTQLQIEISA-N 1 0 353.444 2.538 20 5 FFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000117795430 250362509 /nfs/dbraw/zinc/36/25/09/250362509.db2.gz DTKRWGZZCVQLRR-OAHLLOKOSA-N 1 0 351.834 2.878 20 5 FFBDRO COc1cc(C[NH2+]C[C@](C)(O)c2cccs2)c([N+](=O)[O-])cc1OC ZINC000153002679 251090651 /nfs/dbraw/zinc/09/06/51/251090651.db2.gz BVPCLQPILZBFQY-INIZCTEOSA-N 1 0 352.412 2.671 20 5 FFBDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(N3CCOCC3)nc2)cc1[N+](=O)[O-] ZINC000268731851 251368599 /nfs/dbraw/zinc/36/85/99/251368599.db2.gz CMPUSUFEPMTPPS-HNNXBMFYSA-N 1 0 356.426 2.986 20 5 FFBDRO C[NH+](C)CCCC1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000270968849 251674956 /nfs/dbraw/zinc/67/49/56/251674956.db2.gz PIEREAFFPVDPRU-UHFFFAOYSA-N 1 0 363.458 2.944 20 5 FFBDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)C1 ZINC000272226452 251984748 /nfs/dbraw/zinc/98/47/48/251984748.db2.gz JGYLYEUCMQCGFE-HOCLYGCPSA-N 1 0 360.458 2.640 20 5 FFBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)[C@@H]2C1 ZINC000272383871 252024815 /nfs/dbraw/zinc/02/48/15/252024815.db2.gz CCDKXXOIKPULTE-MLGOLLRUSA-N 1 0 372.450 2.885 20 5 FFBDRO COc1cc(C[NH2+]C[C@@H](C)C[C@@H](C)O)c([N+](=O)[O-])cc1OCC(F)F ZINC000272388168 252026390 /nfs/dbraw/zinc/02/63/90/252026390.db2.gz IOFZLHCHKCJROP-WDEREUQCSA-N 1 0 362.373 2.744 20 5 FFBDRO CCc1n[nH]c(C(=O)N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000272417434 252032857 /nfs/dbraw/zinc/03/28/57/252032857.db2.gz GSTKPRZBGBSCDU-UKRRQHHQSA-N 1 0 371.441 2.521 20 5 FFBDRO Cn1ccnc1[C@H](NC1CC[NH+](C2CC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000272584444 252073941 /nfs/dbraw/zinc/07/39/41/252073941.db2.gz YWIXOFOPHZFXRU-GOSISDBHSA-N 1 0 355.442 2.634 20 5 FFBDRO CS[C@@H]1CN(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)C[C@H]1[NH+](C)C ZINC000272625313 252084753 /nfs/dbraw/zinc/08/47/53/252084753.db2.gz VPHMIHHSDDZAOR-ZIAGYGMSSA-N 1 0 352.460 2.721 20 5 FFBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000272776989 252128594 /nfs/dbraw/zinc/12/85/94/252128594.db2.gz DEFDGSBTESFVAH-ZDUSSCGKSA-N 1 0 350.419 2.799 20 5 FFBDRO C[NH+]1CCC([C@@H]2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3F)C2)CC1 ZINC000273359909 252289961 /nfs/dbraw/zinc/28/99/61/252289961.db2.gz DYRWMVNZPJMALH-CYBMUJFWSA-N 1 0 350.394 2.930 20 5 FFBDRO O=C(NCC1([NH+]2CCCC2)CCOCC1)Nc1ccc([N+](=O)[O-])cc1F ZINC000273474236 252314119 /nfs/dbraw/zinc/31/41/19/252314119.db2.gz PFGAOKYCTKJJQH-UHFFFAOYSA-N 1 0 366.393 2.500 20 5 FFBDRO CCC[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC000273482896 252315597 /nfs/dbraw/zinc/31/55/97/252315597.db2.gz UWWUFEJGBOLGGE-QGZVFWFLSA-N 1 0 363.439 2.895 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C(=O)N(C)CCC[N@H+](C)Cc2ccco2)c1 ZINC000285717455 257000973 /nfs/dbraw/zinc/00/09/73/257000973.db2.gz HLXKJTUPSTZPBV-UHFFFAOYSA-N 1 0 361.398 2.791 20 5 FFBDRO CS[C@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@H]1[NH+]1CCCC1 ZINC000275810986 256050196 /nfs/dbraw/zinc/05/01/96/256050196.db2.gz QAGVQHZPMOLNBB-CABCVRRESA-N 1 0 350.444 2.638 20 5 FFBDRO Cc1noc(C[C@@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)c2ccccc2)n1 ZINC000277075211 256158818 /nfs/dbraw/zinc/15/88/18/256158818.db2.gz DXPQXGKEKKXLCW-MSOLQXFVSA-N 1 0 368.393 2.893 20 5 FFBDRO COCC[N@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])Cc1cccnc1 ZINC000277135158 256164364 /nfs/dbraw/zinc/16/43/64/256164364.db2.gz TVQNKLHCWSPVTP-UHFFFAOYSA-N 1 0 361.398 2.526 20 5 FFBDRO Cc1ccc(NC(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000277342289 256187349 /nfs/dbraw/zinc/18/73/49/256187349.db2.gz DGNIKSPGRIZFME-CQSZACIVSA-N 1 0 350.419 2.526 20 5 FFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000277305699 256182829 /nfs/dbraw/zinc/18/28/29/256182829.db2.gz UKWSKNLAUYTELI-CHWSQXEVSA-N 1 0 368.865 2.991 20 5 FFBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000277645598 256221349 /nfs/dbraw/zinc/22/13/49/256221349.db2.gz SEOJFBZXAXPZQJ-MDJJKAFGSA-N 1 0 361.442 2.615 20 5 FFBDRO CN(C)C(=O)[C@H]1CCCN1CCC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278160390 256283010 /nfs/dbraw/zinc/28/30/10/256283010.db2.gz AVIXKCMPLYYDDY-RTBURBONSA-N 1 0 374.485 2.505 20 5 FFBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000277964386 256260972 /nfs/dbraw/zinc/26/09/72/256260972.db2.gz KXNNIFOATPOXTI-HNNXBMFYSA-N 1 0 357.863 2.724 20 5 FFBDRO C[N@H+](CCNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C1CC1 ZINC000278386538 256306832 /nfs/dbraw/zinc/30/68/32/256306832.db2.gz DJHVDUKJVWUCSB-UHFFFAOYSA-N 1 0 360.336 2.507 20 5 FFBDRO CN(C)c1cc(F)c(C(=O)NC2CC[NH+](C(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000279210703 256393694 /nfs/dbraw/zinc/39/36/94/256393694.db2.gz NUOJIKMXTBUNHD-UHFFFAOYSA-N 1 0 366.437 2.793 20 5 FFBDRO COC[C@H](c1ccc(Cl)cc1)[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000278892265 256359238 /nfs/dbraw/zinc/35/92/38/256359238.db2.gz IXSZQXAPEXVADW-MRXNPFEDSA-N 1 0 365.817 2.729 20 5 FFBDRO C[C@H]([NH2+]C[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284885113 256957022 /nfs/dbraw/zinc/95/70/22/256957022.db2.gz BOCSVYCNBOODTQ-HOCLYGCPSA-N 1 0 368.437 2.876 20 5 FFBDRO CC[C@H](C(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1)[NH+](C)C ZINC000286297720 257029976 /nfs/dbraw/zinc/02/99/76/257029976.db2.gz PSMSHRUHFLDBGX-CYBMUJFWSA-N 1 0 370.247 2.582 20 5 FFBDRO CO[C@@H]1[C@H]2C[C@H]3C[N@H+](CCC(=O)Nc4ccc([N+](=O)[O-])cc4C)[C@H]1[C@H]3C2 ZINC000286464127 257038519 /nfs/dbraw/zinc/03/85/19/257038519.db2.gz KOGDAEPTCDDXNP-RSADAIHESA-N 1 0 359.426 2.587 20 5 FFBDRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])c(C)c1OC ZINC000286894881 257060691 /nfs/dbraw/zinc/06/06/91/257060691.db2.gz IPKIKJKBTNSIQO-GFCCVEGCSA-N 1 0 373.409 2.870 20 5 FFBDRO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@H+](CCOC4CCC4)CC3)nc2c1 ZINC000287670151 257101662 /nfs/dbraw/zinc/10/16/62/257101662.db2.gz HQCOXRZMZZOQNP-UHFFFAOYSA-N 1 0 359.430 2.552 20 5 FFBDRO COc1ccc(C[C@@H](CO)C[NH2+]Cc2ccc([N+](=O)[O-])cc2C)cc1O ZINC000289456701 257282404 /nfs/dbraw/zinc/28/24/04/257282404.db2.gz NWMPPPZQYBZGCY-OAHLLOKOSA-N 1 0 360.410 2.558 20 5 FFBDRO CC[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCOC(C)(C)C1 ZINC000289762611 257297831 /nfs/dbraw/zinc/29/78/31/257297831.db2.gz KUBBZEIRHSFSAO-HNNXBMFYSA-N 1 0 370.471 2.648 20 5 FFBDRO COc1ccc(C[C@](C)(O)C[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000289830612 257301979 /nfs/dbraw/zinc/30/19/79/257301979.db2.gz OGWUQPVUIDAJQP-IBGZPJMESA-N 1 0 360.410 2.695 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C[C@@H]3CCCS(=O)(=O)C3)o2)c1 ZINC000290143202 257317237 /nfs/dbraw/zinc/31/72/37/257317237.db2.gz ODRBYHGWSRRNCH-ZDUSSCGKSA-N 1 0 364.423 2.769 20 5 FFBDRO CCC[C@@]1(CO)CC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000290266985 257322785 /nfs/dbraw/zinc/32/27/85/257322785.db2.gz XJHPFXBRTDTOMF-LJQANCHMSA-N 1 0 358.442 2.980 20 5 FFBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3c[nH]c4nccnc34)CC2)cc1 ZINC000290414685 257330896 /nfs/dbraw/zinc/33/08/96/257330896.db2.gz LSKVRSDKKKHWDW-UHFFFAOYSA-N 1 0 353.382 2.910 20 5 FFBDRO NC(=O)c1ccnc(NCC[NH+]2CCC3(CCCCC3)CC2)c1[N+](=O)[O-] ZINC000290735433 257355252 /nfs/dbraw/zinc/35/52/52/257355252.db2.gz BHOSNJYVJQCHKS-UHFFFAOYSA-N 1 0 361.446 2.547 20 5 FFBDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3cc([N+](=O)[O-])ccc3N3CCCC3)C2)C1 ZINC000294195845 257577932 /nfs/dbraw/zinc/57/79/32/257577932.db2.gz PUWOVRUVUISNHA-HXUWFJFHSA-N 1 0 372.469 2.753 20 5 FFBDRO C[C@@H]([NH2+]CCCN1c2ccccc2OCC1=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294783733 257602447 /nfs/dbraw/zinc/60/24/47/257602447.db2.gz NXOMVOZWCDDBNB-CYBMUJFWSA-N 1 0 370.409 2.643 20 5 FFBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000294899163 257607458 /nfs/dbraw/zinc/60/74/58/257607458.db2.gz JCOMFGGXOXHSFG-LBPRGKRZSA-N 1 0 353.394 2.546 20 5 FFBDRO COc1ccccc1[C@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])[NH+]1CCCC1 ZINC000294525611 257591594 /nfs/dbraw/zinc/59/15/94/257591594.db2.gz ZBIKYNHRWKVFBW-INIZCTEOSA-N 1 0 363.458 2.784 20 5 FFBDRO COc1cc(C(=O)NC2CC[NH+](C(C)(C)C)CC2)c([N+](=O)[O-])cc1F ZINC000294555770 257592857 /nfs/dbraw/zinc/59/28/57/257592857.db2.gz SPLGCTONABFHPP-UHFFFAOYSA-N 1 0 353.394 2.735 20 5 FFBDRO O=C(NC1CC1)c1ccc(N2CCC(C[NH+]3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000301368738 258045595 /nfs/dbraw/zinc/04/55/95/258045595.db2.gz ORNNZTZOJGKWQR-UHFFFAOYSA-N 1 0 372.469 2.799 20 5 FFBDRO COc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccc(C)o2)cc1[N+](=O)[O-] ZINC000299332940 257984548 /nfs/dbraw/zinc/98/45/48/257984548.db2.gz HCJYMIPDQVCFRP-UHFFFAOYSA-N 1 0 361.398 2.709 20 5 FFBDRO COc1ccc(NC(=O)CC[N@@H+](C)C2CCC(OC)CC2)c([N+](=O)[O-])c1 ZINC000299407416 257991371 /nfs/dbraw/zinc/99/13/71/257991371.db2.gz VNTVUQFSTOGVOQ-UHFFFAOYSA-N 1 0 365.430 2.821 20 5 FFBDRO Cc1cnc(NC[C@H](C)[NH+]2CCN(c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000301438876 258050141 /nfs/dbraw/zinc/05/01/41/258050141.db2.gz LLCIKHSFZJLXSF-INIZCTEOSA-N 1 0 355.442 2.921 20 5 FFBDRO CCOc1cc(N2CCN(c3cc(OC)cc[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000301540851 258055099 /nfs/dbraw/zinc/05/50/99/258055099.db2.gz SCWQWTNBRLGMFA-UHFFFAOYSA-N 1 0 358.398 2.724 20 5 FFBDRO Cc1nc(NCCC[NH+]2CCN(c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000301652125 258060661 /nfs/dbraw/zinc/06/06/61/258060661.db2.gz QLPPOAFQIPFFEU-UHFFFAOYSA-N 1 0 355.442 2.922 20 5 FFBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)Nc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000301878825 258072623 /nfs/dbraw/zinc/07/26/23/258072623.db2.gz JKUUSJZCPJZXSP-CHWSQXEVSA-N 1 0 355.460 2.531 20 5 FFBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000301964446 258078371 /nfs/dbraw/zinc/07/83/71/258078371.db2.gz NTATVLHSSDZEMN-HOCLYGCPSA-N 1 0 366.425 2.960 20 5 FFBDRO CC[NH+](CC)CC1CCN(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000330874890 258172417 /nfs/dbraw/zinc/17/24/17/258172417.db2.gz ITUOENBMMVJIMC-UHFFFAOYSA-N 1 0 369.487 2.646 20 5 FFBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000331106903 258177481 /nfs/dbraw/zinc/17/74/81/258177481.db2.gz GSHOKAFOYRSGRS-JHJVBQTASA-N 1 0 369.412 2.898 20 5 FFBDRO CC(C)c1n[nH]c(C(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000331209920 258179793 /nfs/dbraw/zinc/17/97/93/258179793.db2.gz HFQAXMDKMSQPPR-CHWSQXEVSA-N 1 0 365.478 2.928 20 5 FFBDRO CS[C@@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C[C@@H]1[NH+](C)C ZINC000331473378 258187798 /nfs/dbraw/zinc/18/77/98/258187798.db2.gz KVIYIUIWOLMNNJ-SWLSCSKDSA-N 1 0 365.480 2.927 20 5 FFBDRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000332263452 258222257 /nfs/dbraw/zinc/22/22/57/258222257.db2.gz DWEFOFFVOWHERZ-NWDGAFQWSA-N 1 0 355.341 2.553 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000332376382 258227659 /nfs/dbraw/zinc/22/76/59/258227659.db2.gz DMYHZUNTEYFCHK-UWVAXJGDSA-N 1 0 360.502 2.922 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000332391725 258228619 /nfs/dbraw/zinc/22/86/19/258228619.db2.gz MGMOHSNXWNBPDM-WMZOPIPTSA-N 1 0 361.442 2.570 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000332547193 258234748 /nfs/dbraw/zinc/23/47/48/258234748.db2.gz NNGJUNVARGBUOF-WBVHZDCISA-N 1 0 362.430 2.653 20 5 FFBDRO CC(C)c1n[nH]c(C(=O)N2CCC[C@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)c1[N+](=O)[O-] ZINC000331757816 258199472 /nfs/dbraw/zinc/19/94/72/258199472.db2.gz BDRCIYKNQRZUME-MJBXVCDLSA-N 1 0 363.462 2.919 20 5 FFBDRO O=[N+]([O-])c1ccc(CC[NH+]2CCN(c3ncnc4sccc43)CC2)cc1 ZINC000122321393 132248922 /nfs/dbraw/zinc/24/89/22/132248922.db2.gz CGJPPBBXFHOOKX-UHFFFAOYSA-N 1 0 369.450 2.964 20 5 FFBDRO Cc1ccccc1C[NH+]1CCN(c2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000052713040 506236191 /nfs/dbraw/zinc/23/61/91/506236191.db2.gz BUKBOZYIVZKVIH-UHFFFAOYSA-N 1 0 357.439 2.935 20 5 FFBDRO CC(C)(C)CC[NH+]1CCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000065510406 506313677 /nfs/dbraw/zinc/31/36/77/506313677.db2.gz WFCUJLDHOISUHL-UHFFFAOYSA-N 1 0 362.474 2.901 20 5 FFBDRO C[N@H+](CCNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)Cc1ccccc1 ZINC000065882128 506385494 /nfs/dbraw/zinc/38/54/94/506385494.db2.gz MVDXGXGFPQUYME-UHFFFAOYSA-N 1 0 366.421 2.798 20 5 FFBDRO O=C(CNc1ccccc1[N+](=O)[O-])N1CC[NH+](CC2CCCCC2)CC1 ZINC000065901492 506389451 /nfs/dbraw/zinc/38/94/51/506389451.db2.gz BOAKQPUBNIBHMJ-UHFFFAOYSA-N 1 0 360.458 2.731 20 5 FFBDRO CNC(=O)c1ccc(NC[C@H](C)[N@@H+]2CCc3sccc3C2)c([N+](=O)[O-])c1 ZINC000053558768 506405982 /nfs/dbraw/zinc/40/59/82/506405982.db2.gz SOSLEYUXFVLZGI-LBPRGKRZSA-N 1 0 374.466 2.875 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(CC(C)C)C1CC[NH+](C)CC1 ZINC000053671927 506427360 /nfs/dbraw/zinc/42/73/60/506427360.db2.gz QHNMNMWSRLFZMU-UHFFFAOYSA-N 1 0 369.487 2.644 20 5 FFBDRO Cc1cc(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)ccc1[N+](=O)[O-] ZINC000053990259 506470293 /nfs/dbraw/zinc/47/02/93/506470293.db2.gz SYCZKYZMLXLLCN-UHFFFAOYSA-N 1 0 354.410 2.693 20 5 FFBDRO CC(C)C[NH+]1CCC(Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000041817243 506553978 /nfs/dbraw/zinc/55/39/78/506553978.db2.gz MJDQMVAYRBSLST-UHFFFAOYSA-N 1 0 355.460 2.531 20 5 FFBDRO C[NH+](C)[C@H](CNC(=O)NCCc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000054645824 506593847 /nfs/dbraw/zinc/59/38/47/506593847.db2.gz NZOGRBJAKNNCSN-IBGZPJMESA-N 1 0 370.453 2.609 20 5 FFBDRO C[NH+](C)C1(CNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CCCCC1 ZINC000067024059 506729469 /nfs/dbraw/zinc/72/94/69/506729469.db2.gz VYYPZXRZVIRKGV-UHFFFAOYSA-N 1 0 371.441 2.775 20 5 FFBDRO CN1CCC([N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])c4cnccc34)C2)CC1 ZINC000369245563 512305496 /nfs/dbraw/zinc/30/54/96/512305496.db2.gz YPZBNIJKYJIIBM-CQSZACIVSA-N 1 0 355.442 2.723 20 5 FFBDRO Cc1cccc(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1[N+](=O)[O-] ZINC000371283916 512306096 /nfs/dbraw/zinc/30/60/96/512306096.db2.gz MKWKINKTBBDVRI-PIIMJCKOSA-N 1 0 351.406 2.763 20 5 FFBDRO CC(C)(C)CC[NH+]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000056043084 506917454 /nfs/dbraw/zinc/91/74/54/506917454.db2.gz RVOGGSWBVHBORN-UHFFFAOYSA-N 1 0 363.414 2.518 20 5 FFBDRO C[C@@H]([NH2+][C@@H](C)C(=O)NC(=O)NC1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000056196800 506960259 /nfs/dbraw/zinc/96/02/59/506960259.db2.gz UIONTTTZJZBCKB-OLZOCXBDSA-N 1 0 362.430 2.792 20 5 FFBDRO C[NH+](C)[C@H](CNC(=O)NCc1cccc([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000067725051 506990433 /nfs/dbraw/zinc/99/04/33/506990433.db2.gz NKFVTAHJOOVWEL-QGZVFWFLSA-N 1 0 360.389 2.836 20 5 FFBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000068085600 507104676 /nfs/dbraw/zinc/10/46/76/507104676.db2.gz JMTGWQXZZOXZGI-CHWSQXEVSA-N 1 0 359.430 2.569 20 5 FFBDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000068126625 507120262 /nfs/dbraw/zinc/12/02/62/507120262.db2.gz MGBQCYABPWEEAI-GFCCVEGCSA-N 1 0 352.410 2.701 20 5 FFBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000068133484 507125008 /nfs/dbraw/zinc/12/50/08/507125008.db2.gz WDWJWNANSOZYSU-INIZCTEOSA-N 1 0 360.458 2.874 20 5 FFBDRO C[N@@H+]1CCN(CCCNc2ncccc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000046484442 507142305 /nfs/dbraw/zinc/14/23/05/507142305.db2.gz NFBASQOVWGZHCP-SFHVURJKSA-N 1 0 355.442 2.781 20 5 FFBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000068203977 507147929 /nfs/dbraw/zinc/14/79/29/507147929.db2.gz BNRLMPJQPWGSAK-HZPDHXFCSA-N 1 0 362.474 2.881 20 5 FFBDRO O=C(CC[N@@H+]1CC[C@@]2(C1)CCCOC2)Nc1cc([N+](=O)[O-])ccc1F ZINC000367073270 512325468 /nfs/dbraw/zinc/32/54/68/512325468.db2.gz JRTWVIGJZLFCLQ-QGZVFWFLSA-N 1 0 351.378 2.565 20 5 FFBDRO CCCC[NH+]1CCC(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000068442289 507235828 /nfs/dbraw/zinc/23/58/28/507235828.db2.gz ZUZMGASTYWFRHR-UHFFFAOYSA-N 1 0 371.441 2.775 20 5 FFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000057348896 507244769 /nfs/dbraw/zinc/24/47/69/507244769.db2.gz NQNMGQUYQUGNBG-OAHLLOKOSA-N 1 0 352.394 2.923 20 5 FFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000047119959 507267473 /nfs/dbraw/zinc/26/74/73/507267473.db2.gz SMFLWMQLDRCCMH-AWEZNQCLSA-N 1 0 351.472 2.924 20 5 FFBDRO C[C@H]1CCC[N@H+](CCNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000047145505 507271834 /nfs/dbraw/zinc/27/18/34/507271834.db2.gz NAXRHTMFLZTZFN-INIZCTEOSA-N 1 0 374.485 2.659 20 5 FFBDRO Cn1ccnc1C(=O)c1ccc(NCC2([NH+](C)C)CCCC2)c([N+](=O)[O-])c1 ZINC000068664686 507291587 /nfs/dbraw/zinc/29/15/87/507291587.db2.gz MXSBVILYMPYFDR-UHFFFAOYSA-N 1 0 371.441 2.846 20 5 FFBDRO CC(C)c1ccc(C[NH+]2CCC([C@]3(C)NC(=O)NC3=O)CC2)cc1[N+](=O)[O-] ZINC000371326648 512331959 /nfs/dbraw/zinc/33/19/59/512331959.db2.gz JQIDTMINPQACOX-IBGZPJMESA-N 1 0 374.441 2.528 20 5 FFBDRO Cc1cc(C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)ccc1[N+](=O)[O-] ZINC000023015811 507324849 /nfs/dbraw/zinc/32/48/49/507324849.db2.gz BPCICJVYNIEZDL-UHFFFAOYSA-N 1 0 368.437 2.940 20 5 FFBDRO CC[NH+](CC)CC1CCN([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000057847281 507341697 /nfs/dbraw/zinc/34/16/97/507341697.db2.gz ZWGXKRHKHIOCOP-OAHLLOKOSA-N 1 0 362.474 2.976 20 5 FFBDRO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000024086138 507391198 /nfs/dbraw/zinc/39/11/98/507391198.db2.gz AKZMNOJVSRSXCC-UHFFFAOYSA-N 1 0 367.409 2.527 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)c1 ZINC000060155557 507515809 /nfs/dbraw/zinc/51/58/09/507515809.db2.gz MBVXXSFMVLSLSY-GOSISDBHSA-N 1 0 357.410 2.945 20 5 FFBDRO CC[NH+]1CCN(c2ccccc2NC(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000027060728 507629665 /nfs/dbraw/zinc/62/96/65/507629665.db2.gz SFDDVTGWCDDSTG-UHFFFAOYSA-N 1 0 368.437 2.918 20 5 FFBDRO CCc1ccc([C@H](CNC(=O)COc2ccccc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000027596330 507670341 /nfs/dbraw/zinc/67/03/41/507670341.db2.gz ZAVDIECAEHNSCP-SFHVURJKSA-N 1 0 371.437 2.955 20 5 FFBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000071027564 507684512 /nfs/dbraw/zinc/68/45/12/507684512.db2.gz GOHNAWKWQWUNJC-UHFFFAOYSA-N 1 0 355.379 2.906 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000063273052 507710960 /nfs/dbraw/zinc/71/09/60/507710960.db2.gz XEORCFUOBSCZRX-UHFFFAOYSA-N 1 0 361.442 2.988 20 5 FFBDRO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000051049483 507728106 /nfs/dbraw/zinc/72/81/06/507728106.db2.gz PZXFFLJUADVAOK-JKSUJKDBSA-N 1 0 363.458 2.990 20 5 FFBDRO CN(C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)C1CC[NH+](C)CC1 ZINC000051468814 507771863 /nfs/dbraw/zinc/77/18/63/507771863.db2.gz OISZLHCYBDVRPE-UHFFFAOYSA-N 1 0 360.439 2.885 20 5 FFBDRO Cn1ccnc1C(=O)c1ccc(NCC(C)(C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000064113105 507784784 /nfs/dbraw/zinc/78/47/84/507784784.db2.gz MKDYLSDVYRJCIK-UHFFFAOYSA-N 1 0 359.430 2.559 20 5 FFBDRO Cc1c(CO)cc([N+](=O)[O-])c(NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000052160060 507800185 /nfs/dbraw/zinc/80/01/85/507800185.db2.gz SMDAVRFULWOKMB-RYUDHWBXSA-N 1 0 366.418 2.836 20 5 FFBDRO Cc1nn(C)c(Nc2cccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)c2)c1[N+](=O)[O-] ZINC000077983154 507823561 /nfs/dbraw/zinc/82/35/61/507823561.db2.gz WMGVONHMGYFOMB-BETUJISGSA-N 1 0 359.430 2.990 20 5 FFBDRO O=C1CCCCN1CC1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000072663682 507839347 /nfs/dbraw/zinc/83/93/47/507839347.db2.gz AZXCXMFJBZBVOH-UHFFFAOYSA-N 1 0 361.442 2.698 20 5 FFBDRO CC[NH+](CC)CCC[C@@H](C)Nc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000089619536 507851160 /nfs/dbraw/zinc/85/11/60/507851160.db2.gz YWCBWEJUBNHRGG-CYBMUJFWSA-N 1 0 357.476 2.921 20 5 FFBDRO C[C@H]1CCCN(c2ccc(C(=O)NCC[NH+]3CCCC3)cc2[N+](=O)[O-])C1 ZINC000072906454 507871876 /nfs/dbraw/zinc/87/18/76/507871876.db2.gz YYZXWKWSSAMLLB-HNNXBMFYSA-N 1 0 360.458 2.657 20 5 FFBDRO CCCO[C@H]1CCC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000108395297 507892177 /nfs/dbraw/zinc/89/21/77/507892177.db2.gz WYACXZKEUYWJGN-KRWDZBQOSA-N 1 0 361.442 2.765 20 5 FFBDRO C[N@H+](CCCOc1cccc(Cl)c1)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090518870 507924897 /nfs/dbraw/zinc/92/48/97/507924897.db2.gz NGUJXZZBSIZHFQ-UHFFFAOYSA-N 1 0 365.817 2.811 20 5 FFBDRO CCC[NH+]1CCC(N(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000109786192 507987502 /nfs/dbraw/zinc/98/75/02/507987502.db2.gz FSDKUVARJLCINN-UHFFFAOYSA-N 1 0 368.865 2.993 20 5 FFBDRO NC(=O)c1ccc(C[N@H+](CCO)[C@H]2CCCc3ccccc32)c([N+](=O)[O-])c1 ZINC000074312415 508009646 /nfs/dbraw/zinc/00/96/46/508009646.db2.gz KMJSFCBGZYHKPM-SFHVURJKSA-N 1 0 369.421 2.566 20 5 FFBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000074325531 508012348 /nfs/dbraw/zinc/01/23/48/508012348.db2.gz ZPGNZLZOYAXUCQ-AWEZNQCLSA-N 1 0 356.426 2.880 20 5 FFBDRO C[C@H](NC(=O)N1CCN(c2cc[nH+]cc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000080045493 508029806 /nfs/dbraw/zinc/02/98/06/508029806.db2.gz YXCTWFHXAZKDKE-AWEZNQCLSA-N 1 0 355.398 2.583 20 5 FFBDRO C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000110654271 508039686 /nfs/dbraw/zinc/03/96/86/508039686.db2.gz WIXUETOYNVOFJG-INIZCTEOSA-N 1 0 368.437 2.888 20 5 FFBDRO CC[N@@H+]1CCCN(C(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)CC1 ZINC000110815018 508049281 /nfs/dbraw/zinc/04/92/81/508049281.db2.gz XWTGUOLRQNFQRN-INIZCTEOSA-N 1 0 374.485 2.999 20 5 FFBDRO CN(c1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000074775069 508054301 /nfs/dbraw/zinc/05/43/01/508054301.db2.gz MMQQMEHXGKMFDR-QGZVFWFLSA-N 1 0 368.437 2.795 20 5 FFBDRO C[C@@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2C(N)=O)CC[N@@H+]1Cc1ccccc1 ZINC000080230706 508054493 /nfs/dbraw/zinc/05/44/93/508054493.db2.gz ZEJJLJIALRSMQQ-HIFRSBDPSA-N 1 0 369.425 2.554 20 5 FFBDRO CC(C)[NH+](CCCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(C)C ZINC000080476256 508076688 /nfs/dbraw/zinc/07/66/88/508076688.db2.gz MSEJVRKEMVRKBG-UHFFFAOYSA-N 1 0 365.430 2.605 20 5 FFBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NCCCCC[NH+]1CCCCC1 ZINC000111357542 508093274 /nfs/dbraw/zinc/09/32/74/508093274.db2.gz GXSXKFXCVMEKGF-UHFFFAOYSA-N 1 0 355.460 2.529 20 5 FFBDRO CCc1nn(C)c(N2CCC[N@H+](Cc3ccc(OC)cc3)CC2)c1[N+](=O)[O-] ZINC000092827665 508103536 /nfs/dbraw/zinc/10/35/36/508103536.db2.gz KYRSDIJVUVXRPX-UHFFFAOYSA-N 1 0 373.457 2.612 20 5 FFBDRO C[C@@H]1CC(C)(C)C[C@](CO)([NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000080899244 508109790 /nfs/dbraw/zinc/10/97/90/508109790.db2.gz NXPZMEZJZKMWOB-AUUYWEPGSA-N 1 0 363.458 2.725 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[C@H](C)C1 ZINC000081095401 508137015 /nfs/dbraw/zinc/13/70/15/508137015.db2.gz ZMQCLQMABAHUAS-CJNGLKHVSA-N 1 0 359.430 2.807 20 5 FFBDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000081126540 508140260 /nfs/dbraw/zinc/14/02/60/508140260.db2.gz LQBVJPUMDNBANL-KRWDZBQOSA-N 1 0 368.437 2.740 20 5 FFBDRO CC(=O)Nc1ccc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000093534395 508148446 /nfs/dbraw/zinc/14/84/46/508148446.db2.gz DXJUBCHCGLGIGL-INIZCTEOSA-N 1 0 355.398 2.635 20 5 FFBDRO O=[N+]([O-])c1ccc(OCC[NH+]2CCC(c3nnc4ccccn43)CC2)cc1 ZINC000112337104 508176220 /nfs/dbraw/zinc/17/62/20/508176220.db2.gz SGBWNSNLMCHJJR-UHFFFAOYSA-N 1 0 367.409 2.896 20 5 FFBDRO CC[C@H]([NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000112535473 508193674 /nfs/dbraw/zinc/19/36/74/508193674.db2.gz NVCYTRDBQKBRIH-KRWDZBQOSA-N 1 0 363.439 2.614 20 5 FFBDRO CC1CC[NH+]([C@@H](CNc2ncc([N+](=O)[O-])c(N)n2)c2cccs2)CC1 ZINC000076460111 508209507 /nfs/dbraw/zinc/20/95/07/508209507.db2.gz NUNNRWWLEQUUNG-LBPRGKRZSA-N 1 0 362.459 2.914 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[C@H](C)C1 ZINC000076487377 508212830 /nfs/dbraw/zinc/21/28/30/508212830.db2.gz PVVZUHJTUQOXJL-WBMJQRKESA-N 1 0 353.850 2.979 20 5 FFBDRO COc1cc(C[NH2+]C[C@H](C)CO)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000101594439 508249613 /nfs/dbraw/zinc/24/96/13/508249613.db2.gz QYNZELFXLRSSRG-AWEZNQCLSA-N 1 0 360.410 2.900 20 5 FFBDRO CC[NH+](CC)Cc1cccc(CNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)c1 ZINC000102334523 508272327 /nfs/dbraw/zinc/27/23/27/508272327.db2.gz PSAWEEHLSPQRMS-UHFFFAOYSA-N 1 0 373.457 2.685 20 5 FFBDRO CCCN(CC[NH+](C)C)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000104530637 508338183 /nfs/dbraw/zinc/33/81/83/508338183.db2.gz VXZIXPSFWSABFF-UHFFFAOYSA-N 1 0 365.477 2.955 20 5 FFBDRO NC(=O)C[C@@H]1CCCC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000104680067 508341016 /nfs/dbraw/zinc/34/10/16/508341016.db2.gz VTAZPUVOVIVXRG-AWEZNQCLSA-N 1 0 358.398 2.522 20 5 FFBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2cc(C)cc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000115273566 508380279 /nfs/dbraw/zinc/38/02/79/508380279.db2.gz YYJPGCHXYXKSNE-CRAIPNDOSA-N 1 0 363.458 2.770 20 5 FFBDRO CCOC(=O)c1ccnc(NC[C@H](c2ccccc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000077902824 508390362 /nfs/dbraw/zinc/39/03/62/508390362.db2.gz CSIODHOSBBBMIL-OAHLLOKOSA-N 1 0 358.398 2.881 20 5 FFBDRO CCOC(=O)c1ccnc(N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000077932960 508393359 /nfs/dbraw/zinc/39/33/59/508393359.db2.gz JKNIMFFTAQNWCI-STQMWFEESA-N 1 0 350.419 2.699 20 5 FFBDRO C[N@H+](CCCO)C1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000115519759 508405317 /nfs/dbraw/zinc/40/53/17/508405317.db2.gz ANENQUHFCDHVEJ-UHFFFAOYSA-N 1 0 361.364 2.897 20 5 FFBDRO CC(C)C[N@@H+]1CCCC[C@H]1CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000156388269 508412422 /nfs/dbraw/zinc/41/24/22/508412422.db2.gz BFMKIDBNXZOSRQ-KRWDZBQOSA-N 1 0 369.487 2.525 20 5 FFBDRO CC[N@@H+]1CCC[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000152294333 508417183 /nfs/dbraw/zinc/41/71/83/508417183.db2.gz NAFBEPGKHCLLOZ-LBPRGKRZSA-N 1 0 370.247 2.500 20 5 FFBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000115640060 508420485 /nfs/dbraw/zinc/42/04/85/508420485.db2.gz VDCCLMSEVGPAFL-RHSMWYFYSA-N 1 0 364.446 2.853 20 5 FFBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000115844511 508446892 /nfs/dbraw/zinc/44/68/92/508446892.db2.gz BYUXXTADPYHLQU-QLFBSQMISA-N 1 0 367.471 2.621 20 5 FFBDRO C[N@H+](CCNC(=O)CCOc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000115866815 508449230 /nfs/dbraw/zinc/44/92/30/508449230.db2.gz CDNYEYKPYPZICK-UHFFFAOYSA-N 1 0 357.410 2.612 20 5 FFBDRO CC(C)N(CC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000156760317 508473025 /nfs/dbraw/zinc/47/30/25/508473025.db2.gz NCNZBLOWOAUPND-UHFFFAOYSA-N 1 0 358.236 2.770 20 5 FFBDRO O=C(C[NH+]1CCc2ccccc2CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000116300080 508495904 /nfs/dbraw/zinc/49/59/04/508495904.db2.gz GQMJTJTZYIZHAW-UHFFFAOYSA-N 1 0 351.406 2.585 20 5 FFBDRO COc1ccc(CN2CC[NH+](C)CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000127859175 508511399 /nfs/dbraw/zinc/51/13/99/508511399.db2.gz OHAYVWVETKEUAK-UHFFFAOYSA-N 1 0 371.437 2.930 20 5 FFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN[C@@H](c2cccnc2)C1 ZINC000367237492 512401227 /nfs/dbraw/zinc/40/12/27/512401227.db2.gz LAQXUBRTKFHXMA-CXAGYDPISA-N 1 0 372.450 2.644 20 5 FFBDRO Cc1c(Br)cc(C(=O)NC[C@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000122526458 508548804 /nfs/dbraw/zinc/54/88/04/508548804.db2.gz HPSKRAKGRHWPMF-LLVKDONJSA-N 1 0 370.247 2.737 20 5 FFBDRO CC(C)C[C@@](C)(C[NH3+])NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000157540719 508579197 /nfs/dbraw/zinc/57/91/97/508579197.db2.gz YBGWHMLWEZNIBR-ZBEGNZNMSA-N 1 0 357.838 2.895 20 5 FFBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000122850572 508596783 /nfs/dbraw/zinc/59/67/83/508596783.db2.gz GZGJXTPFIALDKQ-HNNXBMFYSA-N 1 0 371.441 2.584 20 5 FFBDRO C[C@@H]1C[C@H](N(C)C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000122946422 508611659 /nfs/dbraw/zinc/61/16/59/508611659.db2.gz SAQNOUSMISBFCF-TZMCWYRMSA-N 1 0 369.849 2.958 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1SC ZINC000123206729 508652154 /nfs/dbraw/zinc/65/21/54/508652154.db2.gz SLUFCUOHQUGOLZ-VXGBXAGGSA-N 1 0 367.471 2.880 20 5 FFBDRO O=[N+]([O-])c1cc(C[N@H+](CCO)CCOCC(F)(F)F)ccc1Cl ZINC000153918677 508676728 /nfs/dbraw/zinc/67/67/28/508676728.db2.gz YKUNJOXFMKTMBD-UHFFFAOYSA-N 1 0 356.728 2.621 20 5 FFBDRO C[C@H]1C[C@H](NC(=O)CNc2ccccc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000137432769 508756460 /nfs/dbraw/zinc/75/64/60/508756460.db2.gz YEOILEHXMYXTIN-RDJZCZTQSA-N 1 0 368.437 2.786 20 5 FFBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000138259421 508771224 /nfs/dbraw/zinc/77/12/24/508771224.db2.gz YXIPDVNOKWTSOC-LSDHHAIUSA-N 1 0 371.441 2.631 20 5 FFBDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000124268608 508806889 /nfs/dbraw/zinc/80/68/89/508806889.db2.gz BPRWPWYEOUJXAE-MRXNPFEDSA-N 1 0 363.458 2.848 20 5 FFBDRO COC(=O)C1([N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CCCC1 ZINC000159274028 508817755 /nfs/dbraw/zinc/81/77/55/508817755.db2.gz AEPRQVMWCOOINI-UHFFFAOYSA-N 1 0 363.414 2.649 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000143351275 508830431 /nfs/dbraw/zinc/83/04/31/508830431.db2.gz ZPNFIGCMNWZKDJ-UHFFFAOYSA-N 1 0 368.437 2.903 20 5 FFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000119744640 508854966 /nfs/dbraw/zinc/85/49/66/508854966.db2.gz RWBKDWQAKXAOCG-NDGNNOQLSA-N 1 0 358.486 2.899 20 5 FFBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000150751099 508885362 /nfs/dbraw/zinc/88/53/62/508885362.db2.gz ADAJRVVIQUXFBZ-OAHLLOKOSA-N 1 0 360.458 2.751 20 5 FFBDRO C[C@H](Nc1ccc(C(=O)N2CC[NH2+][C@@H](C)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000155013413 508903612 /nfs/dbraw/zinc/90/36/12/508903612.db2.gz HREWBKCBVJXVPM-KBPBESRZSA-N 1 0 369.425 2.597 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)CCC(=O)OC(C)(C)C ZINC000150880301 508914119 /nfs/dbraw/zinc/91/41/19/508914119.db2.gz GXYAVSSPTVCZQR-UHFFFAOYSA-N 1 0 365.430 2.895 20 5 FFBDRO CCN(C(=O)c1n[nH]cc1[N+](=O)[O-])[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000155200352 508946338 /nfs/dbraw/zinc/94/63/38/508946338.db2.gz KURRFUNJGPHZHA-ZFWWWQNUSA-N 1 0 357.414 2.616 20 5 FFBDRO C[NH+]1CCC(NC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000155228385 508953574 /nfs/dbraw/zinc/95/35/74/508953574.db2.gz KTWYDFVKBRNVGR-UHFFFAOYSA-N 1 0 357.208 2.573 20 5 FFBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000160245333 508959932 /nfs/dbraw/zinc/95/99/32/508959932.db2.gz OVEAETJKHVPBBF-KUHUBIRLSA-N 1 0 368.437 2.887 20 5 FFBDRO Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)c([N+](=O)[O-])c1 ZINC000120265335 508961586 /nfs/dbraw/zinc/96/15/86/508961586.db2.gz ASVZDYUWDCLVOB-HNNXBMFYSA-N 1 0 369.487 2.550 20 5 FFBDRO CC1CC[NH+](CCCCNC(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000160256992 508961962 /nfs/dbraw/zinc/96/19/62/508961962.db2.gz NUDGAYIYYWHAPC-UHFFFAOYSA-N 1 0 362.474 2.949 20 5 FFBDRO CC(C)(C)CNC(=O)C(C)(C)[NH2+]CCCOc1ccc([N+](=O)[O-])cc1 ZINC000155372816 508987791 /nfs/dbraw/zinc/98/77/91/508987791.db2.gz VEJQYRMUIWPYPU-UHFFFAOYSA-N 1 0 351.447 2.894 20 5 FFBDRO C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(C)(C)C[NH+](C)C ZINC000126084740 509061682 /nfs/dbraw/zinc/06/16/82/509061682.db2.gz NBCPLLRWNPMNMZ-JTQLQIEISA-N 1 0 363.867 2.503 20 5 FFBDRO Cc1cnn([C@@H]2CC[N@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)c1 ZINC000377761354 512436245 /nfs/dbraw/zinc/43/62/45/512436245.db2.gz PFRVAZRHZOCWOS-MRXNPFEDSA-N 1 0 357.414 2.684 20 5 FFBDRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000161340368 509104410 /nfs/dbraw/zinc/10/44/10/509104410.db2.gz XVFITMASNUQPND-YGRLFVJLSA-N 1 0 370.247 2.816 20 5 FFBDRO C[NH+](C)CCN(Cc1ccco1)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000121183644 509146645 /nfs/dbraw/zinc/14/66/45/509146645.db2.gz XTKGZEUMGPVDBM-UHFFFAOYSA-N 1 0 372.425 2.966 20 5 FFBDRO C[C@H]1CCC[N@H+](CCNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000162089386 509172072 /nfs/dbraw/zinc/17/20/72/509172072.db2.gz JWQKALRMUKWUPG-NSHDSACASA-N 1 0 370.247 2.819 20 5 FFBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC(CCC[NH+](CC)CC)CC2)n1 ZINC000191888890 509233378 /nfs/dbraw/zinc/23/33/78/509233378.db2.gz ZXPGXHXQVZIDGH-UHFFFAOYSA-N 1 0 365.478 2.785 20 5 FFBDRO COc1ccc(C[NH2+]C[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000179056747 509242583 /nfs/dbraw/zinc/24/25/83/509242583.db2.gz PDVVJSGVLBVMNJ-QGZVFWFLSA-N 1 0 369.421 2.742 20 5 FFBDRO CC(C)OCC[NH+]1CCC(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC000266983088 509290081 /nfs/dbraw/zinc/29/00/81/509290081.db2.gz GKSYHTYITMDFMA-UHFFFAOYSA-N 1 0 374.441 2.695 20 5 FFBDRO C[C@@H]1C[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]2CCCC[C@H]21 ZINC000248411194 509306048 /nfs/dbraw/zinc/30/60/48/509306048.db2.gz DNILVSZDFQBVSC-MBNYWOFBSA-N 1 0 361.398 2.773 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCC[C@@H](C4OCCO4)C3)co2)cc1 ZINC000179184175 509307840 /nfs/dbraw/zinc/30/78/40/509307840.db2.gz NRCHKNSNBRCEBT-CQSZACIVSA-N 1 0 359.382 2.835 20 5 FFBDRO O=[N+]([O-])c1ccc(CN2CCC(OCC[NH+]3CCCC3)CC2)c(F)c1 ZINC000267081283 509338582 /nfs/dbraw/zinc/33/85/82/509338582.db2.gz YAXHDUNOBHVKKW-UHFFFAOYSA-N 1 0 351.422 2.811 20 5 FFBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CC[N@@H+]2CCC[C@H]2C1 ZINC000182644235 509348817 /nfs/dbraw/zinc/34/88/17/509348817.db2.gz XWOGNNRRSNPCCP-LBPRGKRZSA-N 1 0 355.847 2.647 20 5 FFBDRO O=[N+]([O-])c1cccc(Cl)c1CN1CCC(C[NH+]2CCOCC2)CC1 ZINC000163324409 509362943 /nfs/dbraw/zinc/36/29/43/509362943.db2.gz DGROMMRGRAROEI-UHFFFAOYSA-N 1 0 353.850 2.792 20 5 FFBDRO C[N@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)CCn1ccc([N+](=O)[O-])n1 ZINC000176236512 509395703 /nfs/dbraw/zinc/39/57/03/509395703.db2.gz YUTSZCUEKVALQZ-UHFFFAOYSA-N 1 0 372.404 2.885 20 5 FFBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2ccc(Br)c(Cl)c2)c1 ZINC000192200809 509399582 /nfs/dbraw/zinc/39/95/82/509399582.db2.gz LQJZCZDPVSREOV-UHFFFAOYSA-N 1 0 359.611 2.997 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000176253396 509404722 /nfs/dbraw/zinc/40/47/22/509404722.db2.gz WPPLPWDRFYPHSZ-ZDUSSCGKSA-N 1 0 350.419 2.703 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N3C[C@@H]4CC[C@H]([NH3+])[C@H]4C3)cc2[N+](=O)[O-])CC1 ZINC000248645001 509412802 /nfs/dbraw/zinc/41/28/02/509412802.db2.gz SCYHIVGFURWIOW-ULQDDVLXSA-N 1 0 372.469 2.640 20 5 FFBDRO Cc1cc(C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c(N)c([N+](=O)[O-])c1 ZINC000182824534 509444206 /nfs/dbraw/zinc/44/42/06/509444206.db2.gz MUCGNTFPBISQLZ-UONOGXRCSA-N 1 0 360.458 2.868 20 5 FFBDRO C[C@H](NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182831109 509447323 /nfs/dbraw/zinc/44/73/23/509447323.db2.gz GUIWDXQROKXZCK-STQMWFEESA-N 1 0 371.441 2.854 20 5 FFBDRO Cc1c(Br)cc(C(=O)N(C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000164149388 509470041 /nfs/dbraw/zinc/47/00/41/509470041.db2.gz KTEQGWDCVUPVBY-UHFFFAOYSA-N 1 0 370.247 2.832 20 5 FFBDRO COc1ncccc1C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000237123241 509577134 /nfs/dbraw/zinc/57/71/34/509577134.db2.gz ZYCSAOVSHPKTRP-UHFFFAOYSA-N 1 0 353.382 2.689 20 5 FFBDRO CC(=O)NC1CCC([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000264546084 509591508 /nfs/dbraw/zinc/59/15/08/509591508.db2.gz VDSZKKUYCZBOAK-UHFFFAOYSA-N 1 0 357.357 2.733 20 5 FFBDRO COc1cc(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)ccn1 ZINC000237226898 509597017 /nfs/dbraw/zinc/59/70/17/509597017.db2.gz LJNOTFSOQFYNOU-UHFFFAOYSA-N 1 0 353.382 2.689 20 5 FFBDRO CC[NH+]1CCC(n2nccc2NC(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000173450348 509608150 /nfs/dbraw/zinc/60/81/50/509608150.db2.gz UZIDCGWUNYEHED-UHFFFAOYSA-N 1 0 357.414 2.629 20 5 FFBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NC[C@@H](C)C[NH3+])cc1 ZINC000237312774 509618829 /nfs/dbraw/zinc/61/88/29/509618829.db2.gz MOJONTLOLOFVKJ-LBPRGKRZSA-N 1 0 359.382 2.720 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](C)c1nnc2ccccn21 ZINC000192813165 509655074 /nfs/dbraw/zinc/65/50/74/509655074.db2.gz ASWYTCQMKNDZCI-CYBMUJFWSA-N 1 0 368.397 2.625 20 5 FFBDRO CCN1CC[NH+](CCCCNC(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000186337214 509655324 /nfs/dbraw/zinc/65/53/24/509655324.db2.gz FZVDIHOEQRFXJI-WUKNDPDISA-N 1 0 374.485 2.532 20 5 FFBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)NCC3=CC[NH2+]CC3)cc2[N+](=O)[O-])C1 ZINC000186397305 509689096 /nfs/dbraw/zinc/68/90/96/509689096.db2.gz PEIGKMZFIRRFHY-GASCZTMLSA-N 1 0 372.469 2.727 20 5 FFBDRO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000173644441 509694715 /nfs/dbraw/zinc/69/47/15/509694715.db2.gz LJYQVSNGGFBZQA-GOSISDBHSA-N 1 0 361.442 2.839 20 5 FFBDRO O=[N+]([O-])c1cnc2ccc(NC[C@H]3CC[N@H+](Cc4ccccc4)C3)nn21 ZINC000192958021 509714241 /nfs/dbraw/zinc/71/42/41/509714241.db2.gz XZJGJGLNSAZHLZ-OAHLLOKOSA-N 1 0 352.398 2.572 20 5 FFBDRO CC1(CNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000183340081 509725544 /nfs/dbraw/zinc/72/55/44/509725544.db2.gz QTYTVNVGQSAJFW-UHFFFAOYSA-N 1 0 355.822 2.523 20 5 FFBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](CCO[C@H]3CCCCO3)CC2)cc1 ZINC000193060335 509760195 /nfs/dbraw/zinc/76/01/95/509760195.db2.gz JLLHDIYAUHYTNK-SFHVURJKSA-N 1 0 350.415 2.981 20 5 FFBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000268108155 509760935 /nfs/dbraw/zinc/76/09/35/509760935.db2.gz GDBGPBFXHSNRHW-XHDPSFHLSA-N 1 0 354.838 2.730 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000249802596 509767065 /nfs/dbraw/zinc/76/70/65/509767065.db2.gz ZNYXUAWRUPAZGT-STQMWFEESA-N 1 0 350.419 2.845 20 5 FFBDRO COc1ccc(OCCN2CCC[C@H]([NH+]3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000173781950 509773768 /nfs/dbraw/zinc/77/37/68/509773768.db2.gz NBJOYZSBYMDOEB-INIZCTEOSA-N 1 0 363.458 2.933 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000183419389 509777479 /nfs/dbraw/zinc/77/74/79/509777479.db2.gz IQDJHURTVTUIHQ-ZWKOTPCHSA-N 1 0 356.422 2.945 20 5 FFBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000264950872 509793108 /nfs/dbraw/zinc/79/31/08/509793108.db2.gz JYBYWLQZZHBBBR-CYBMUJFWSA-N 1 0 365.430 2.606 20 5 FFBDRO [NH3+]C[C@@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])C1CCCCC1 ZINC000238090037 509817532 /nfs/dbraw/zinc/81/75/32/509817532.db2.gz KOWCSVHUMSJUCK-CYBMUJFWSA-N 1 0 370.247 2.995 20 5 FFBDRO O=C(NCC[NH2+]C1CCCCCC1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000238123624 509825422 /nfs/dbraw/zinc/82/54/22/509825422.db2.gz XLWPEXXJMQVBNK-UHFFFAOYSA-N 1 0 371.441 2.823 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)c1 ZINC000177062833 509847553 /nfs/dbraw/zinc/84/75/53/509847553.db2.gz SHFRQGJUAOLOCU-UHFFFAOYSA-N 1 0 361.373 2.604 20 5 FFBDRO Cc1cccc([C@H](C)[NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000173999440 509896628 /nfs/dbraw/zinc/89/66/28/509896628.db2.gz XNKRBDMIQLMXFQ-AWEZNQCLSA-N 1 0 363.439 2.532 20 5 FFBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)NC3(C)CC[NH2+]CC3)cc2[N+](=O)[O-])C1 ZINC000193399931 509899131 /nfs/dbraw/zinc/89/91/31/509899131.db2.gz CKLTUFQHNKJJIH-GASCZTMLSA-N 1 0 374.485 2.949 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000193401827 509899426 /nfs/dbraw/zinc/89/94/26/509899426.db2.gz QEBLPEOVLVESIJ-UHFFFAOYSA-N 1 0 364.446 2.667 20 5 FFBDRO COC(=O)c1ccccc1N(C)C(=O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180415697 509915596 /nfs/dbraw/zinc/91/55/96/509915596.db2.gz WNBOWAMEDRAFGT-CYBMUJFWSA-N 1 0 371.393 2.695 20 5 FFBDRO CCc1ccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)nc2)cc1[N+](=O)[O-] ZINC000174040135 509919794 /nfs/dbraw/zinc/91/97/94/509919794.db2.gz PYMUOPYGROJVPD-UHFFFAOYSA-N 1 0 369.425 2.556 20 5 FFBDRO COCc1ccccc1CNC(=O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180430870 509922425 /nfs/dbraw/zinc/92/24/25/509922425.db2.gz FXMFBBOGWMRUON-AWEZNQCLSA-N 1 0 357.410 2.708 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCS[C@H]3CCCC[C@@H]32)c1 ZINC000177204900 509935942 /nfs/dbraw/zinc/93/59/42/509935942.db2.gz FCCWKYZBYJTYPT-PVAVHDDUSA-N 1 0 352.456 2.695 20 5 FFBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)CC[C@H]21 ZINC000245534636 509988315 /nfs/dbraw/zinc/98/83/15/509988315.db2.gz WDZDIJRSIPTQOP-BXUZGUMPSA-N 1 0 369.368 2.753 20 5 FFBDRO Cc1nc(NCc2ccc(C[NH+]3CCC(O)CC3)cc2)ccc1[N+](=O)[O-] ZINC000268528076 509990368 /nfs/dbraw/zinc/99/03/68/509990368.db2.gz WMCYYPWZIKBKLG-UHFFFAOYSA-N 1 0 356.426 2.867 20 5 FFBDRO CC1([C@@H]2CCC[N@H+](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)OCCO1 ZINC000183843008 510001932 /nfs/dbraw/zinc/00/19/32/510001932.db2.gz GSRCKXNDFNHXTN-CQSZACIVSA-N 1 0 374.397 2.620 20 5 FFBDRO CC[NH+](CC)C[C@H]1CCN(CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000174226183 510013352 /nfs/dbraw/zinc/01/33/52/510013352.db2.gz WFDKFPIWLVMMKZ-OAHLLOKOSA-N 1 0 351.447 2.646 20 5 FFBDRO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000261658284 510015460 /nfs/dbraw/zinc/01/54/60/510015460.db2.gz NLRKEQFZZRHETN-PLFUUQOJSA-N 1 0 358.442 2.805 20 5 FFBDRO CC1([C@@H]2CCC[N@H+](Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)C2)OCCO1 ZINC000183881071 510020845 /nfs/dbraw/zinc/02/08/45/510020845.db2.gz XCHGQKALCSWLNP-CQSZACIVSA-N 1 0 374.397 2.620 20 5 FFBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CC[C@@](C)(C[NH3+])C3)cc2[N+](=O)[O-])C1 ZINC000261767405 510055769 /nfs/dbraw/zinc/05/57/69/510055769.db2.gz FOIWPMUAJSWQSJ-SXGZJXTBSA-N 1 0 374.485 2.888 20 5 FFBDRO O=C(Cc1ccccc1[N+](=O)[O-])NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000193794371 510075154 /nfs/dbraw/zinc/07/51/54/510075154.db2.gz ROIBMPMDRQCCEL-QGZVFWFLSA-N 1 0 353.422 2.776 20 5 FFBDRO Cn1c(Sc2ccc([N+](=O)[O-])c3cnccc23)nnc1C1CC[NH2+]CC1 ZINC000265511083 510093123 /nfs/dbraw/zinc/09/31/23/510093123.db2.gz ZQJTUXHTHVWPNW-UHFFFAOYSA-N 1 0 370.438 2.890 20 5 FFBDRO CC(C)NC(=O)c1ccc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c([N+](=O)[O-])c1 ZINC000268842754 510094971 /nfs/dbraw/zinc/09/49/71/510094971.db2.gz OYUQRJPWLZMUCQ-HOTGVXAUSA-N 1 0 360.458 2.654 20 5 FFBDRO [NH3+]C1(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)CCOCC1 ZINC000261880053 510098748 /nfs/dbraw/zinc/09/87/48/510098748.db2.gz PBDSHXAEIUCJAK-UHFFFAOYSA-N 1 0 357.366 2.834 20 5 FFBDRO [NH3+][C@@H]1CN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@H]1c1ccccc1 ZINC000261906390 510110540 /nfs/dbraw/zinc/11/05/40/510110540.db2.gz HBGCVLDLXAXPHT-DLBZAZTESA-N 1 0 365.393 2.572 20 5 FFBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000177548733 510129243 /nfs/dbraw/zinc/12/92/43/510129243.db2.gz CCDDABQUFXZYIE-DLBZAZTESA-N 1 0 374.485 2.800 20 5 FFBDRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000180836666 510137589 /nfs/dbraw/zinc/13/75/89/510137589.db2.gz ZNONOOBUPBWZTD-LBPRGKRZSA-N 1 0 351.403 2.564 20 5 FFBDRO CC(=O)c1ccc(NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c([N+](=O)[O-])c1 ZINC000268930710 510143487 /nfs/dbraw/zinc/14/34/87/510143487.db2.gz BZZHHRWJOJQUBZ-PKOBYXMFSA-N 1 0 361.442 2.977 20 5 FFBDRO Cc1ccc(C[NH2+]CCCN2C(=O)COc3ccccc32)cc1[N+](=O)[O-] ZINC000174520893 510157518 /nfs/dbraw/zinc/15/75/18/510157518.db2.gz RJZYDCQVIPMWPD-UHFFFAOYSA-N 1 0 355.394 2.809 20 5 FFBDRO CCc1ccc([C@@H]2C[NH2+]CCN2C(=O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000262196287 510206236 /nfs/dbraw/zinc/20/62/36/510206236.db2.gz KBPYLUWBWFYFMC-IBGZPJMESA-N 1 0 369.421 2.709 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)CC1(O)CCCCCC1 ZINC000187366464 510222440 /nfs/dbraw/zinc/22/24/40/510222440.db2.gz CJEJOTBRGWHOLC-UHFFFAOYSA-N 1 0 365.430 2.559 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)[C@@H](C)C1 ZINC000245977301 510235539 /nfs/dbraw/zinc/23/55/39/510235539.db2.gz GLSJGDKHDNTIKG-WFASDCNBSA-N 1 0 350.419 2.797 20 5 FFBDRO C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Cl)c(Cl)c1 ZINC000174660817 510236034 /nfs/dbraw/zinc/23/60/34/510236034.db2.gz KSPZJQVQFZCHRX-JOYOIKCWSA-N 1 0 359.213 2.810 20 5 FFBDRO CCC[N@H+](CC)CCNC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000174667871 510241390 /nfs/dbraw/zinc/24/13/90/510241390.db2.gz GUWAFUVBMQTNQU-UHFFFAOYSA-N 1 0 355.460 2.787 20 5 FFBDRO C[C@@H]1C[C@H](NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C[N@@H+]1C1CC1 ZINC000177787984 510254197 /nfs/dbraw/zinc/25/41/97/510254197.db2.gz MRLUWPJXGYKOCY-ZBFHGGJFSA-N 1 0 360.458 2.842 20 5 FFBDRO CO[C@@H]1CC[C@H]2OCC[N@H+](CCCOc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000246044301 510262271 /nfs/dbraw/zinc/26/22/71/510262271.db2.gz AOLZDXUJGLRTSH-FGTMMUONSA-N 1 0 350.415 2.632 20 5 FFBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)NC3CC[NH2+]CC3)cc2[N+](=O)[O-])C1 ZINC000262509761 510305375 /nfs/dbraw/zinc/30/53/75/510305375.db2.gz MMYKWYXKGBCYJN-OKILXGFUSA-N 1 0 360.458 2.559 20 5 FFBDRO CCOC[C@H]1CCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000246134260 510313719 /nfs/dbraw/zinc/31/37/19/510313719.db2.gz FNLVNNLJUGGPHN-NEPJUHHUSA-N 1 0 355.822 2.934 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@H]1C[NH+]1CCCC1 ZINC000171708299 510323161 /nfs/dbraw/zinc/32/31/61/510323161.db2.gz HETRIHGBHVCUMD-KRWDZBQOSA-N 1 0 360.458 2.792 20 5 FFBDRO COC[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)c1ccco1 ZINC000184519722 510369114 /nfs/dbraw/zinc/36/91/14/510369114.db2.gz GODWHWDGQKCWMC-AWEZNQCLSA-N 1 0 363.370 2.502 20 5 FFBDRO C[C@@H]1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@H]1n1ccnc1 ZINC000246254816 510392628 /nfs/dbraw/zinc/39/26/28/510392628.db2.gz JXYLTASMCOKQSE-CXAGYDPISA-N 1 0 358.398 2.741 20 5 FFBDRO O=C(c1ccn([C@H]2CCC[NH2+]C2)n1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000262746712 510394324 /nfs/dbraw/zinc/39/43/24/510394324.db2.gz JWAOJYASRPEUCX-INIZCTEOSA-N 1 0 369.425 2.521 20 5 FFBDRO CCC[N@H+](C)C[C@H]1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000174949340 510401800 /nfs/dbraw/zinc/40/18/00/510401800.db2.gz OBFRAJSZWFTQRO-CQSZACIVSA-N 1 0 359.430 2.809 20 5 FFBDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000246305730 510417009 /nfs/dbraw/zinc/41/70/09/510417009.db2.gz FQRADVQSLVZYJP-HOTGVXAUSA-N 1 0 374.485 2.780 20 5 FFBDRO CC(C)c1n[nH]c(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000269606571 510481028 /nfs/dbraw/zinc/48/10/28/510481028.db2.gz QHLOSAZHFDPERQ-OAHLLOKOSA-N 1 0 371.441 2.788 20 5 FFBDRO Cc1cc(S(=O)(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000172021016 510502672 /nfs/dbraw/zinc/50/26/72/510502672.db2.gz YWYMILCNJLRFLN-OAHLLOKOSA-N 1 0 367.471 2.542 20 5 FFBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000266304524 510507702 /nfs/dbraw/zinc/50/77/02/510507702.db2.gz LMWSGCDSRRBJNA-CQSZACIVSA-N 1 0 351.472 2.877 20 5 FFBDRO O=C(CCN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000246475041 510509688 /nfs/dbraw/zinc/50/96/88/510509688.db2.gz GEZRZMHTPNXOPD-YJBOKZPZSA-N 1 0 372.469 2.872 20 5 FFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000194765086 510517674 /nfs/dbraw/zinc/51/76/74/510517674.db2.gz CAWOWKDBLSFLEE-INIZCTEOSA-N 1 0 360.458 2.882 20 5 FFBDRO COc1ccc(C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000181675399 510534013 /nfs/dbraw/zinc/53/40/13/510534013.db2.gz KRPPUPZSWBOKND-UKRRQHHQSA-N 1 0 361.442 2.986 20 5 FFBDRO CC(C)CN1CCO[C@@H](C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000178328449 510548183 /nfs/dbraw/zinc/54/81/83/510548183.db2.gz RNYAJKLQHSFFLD-OALUTQOASA-N 1 0 361.486 2.862 20 5 FFBDRO CCOc1cc(C(=O)N(C)CC2([NH+](C)C)CCC2)c([N+](=O)[O-])cc1OC ZINC000188013621 510549084 /nfs/dbraw/zinc/54/90/84/510549084.db2.gz CGTIFVVSPNXAPI-UHFFFAOYSA-N 1 0 365.430 2.558 20 5 FFBDRO CCCN1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000178434465 510601631 /nfs/dbraw/zinc/60/16/31/510601631.db2.gz JYOIXAUPAUHFIV-UHFFFAOYSA-N 1 0 356.220 2.525 20 5 FFBDRO C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266549320 510652012 /nfs/dbraw/zinc/65/20/12/510652012.db2.gz SVIGGZLYSGGMNA-IAQYHMDHSA-N 1 0 372.347 2.864 20 5 FFBDRO Cc1ccc(C[NH2+]Cc2cnc(N3CCOCC3)c(F)c2)cc1[N+](=O)[O-] ZINC000185080412 510674037 /nfs/dbraw/zinc/67/40/37/510674037.db2.gz NJOIFDGUGHKQHJ-UHFFFAOYSA-N 1 0 360.389 2.564 20 5 FFBDRO O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000195126319 510678687 /nfs/dbraw/zinc/67/86/87/510678687.db2.gz XPRHZBQNEXJODW-UHFFFAOYSA-N 1 0 357.414 2.806 20 5 FFBDRO [NH3+]C[C@@H](C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 ZINC000178603867 510682504 /nfs/dbraw/zinc/68/25/04/510682504.db2.gz LCBKEYBSLGKUOR-LJQANCHMSA-N 1 0 369.421 2.707 20 5 FFBDRO CN(Cc1ccc([N+](=O)[O-])cc1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188280870 510687786 /nfs/dbraw/zinc/68/77/86/510687786.db2.gz DEUCYHUQCXSIIG-FQEVSTJZSA-N 1 0 355.438 2.664 20 5 FFBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)NC(=O)NC(C)(C)C)cc1[N+](=O)[O-] ZINC000178686849 510721448 /nfs/dbraw/zinc/72/14/48/510721448.db2.gz BERPJQXBNJEGOP-NEPJUHHUSA-N 1 0 350.419 2.567 20 5 FFBDRO NC(=O)C[C@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CCCCC1 ZINC000182043561 510727027 /nfs/dbraw/zinc/72/70/27/510727027.db2.gz HCZHZKCQFROHNT-HNNXBMFYSA-N 1 0 373.413 2.559 20 5 FFBDRO COC(=O)[C@](C)(C[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)c1ccccc1 ZINC000191577588 510732861 /nfs/dbraw/zinc/73/28/61/510732861.db2.gz UTTPLOHGGJXQBL-LJQANCHMSA-N 1 0 358.394 2.824 20 5 FFBDRO Cc1cc(S(=O)(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)ccc1[N+](=O)[O-] ZINC000178823284 510790840 /nfs/dbraw/zinc/79/08/40/510790840.db2.gz YJAJTYIQHNYAMS-OAHLLOKOSA-N 1 0 369.487 2.550 20 5 FFBDRO CC(C)(C)OC(=O)[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000178832912 510794938 /nfs/dbraw/zinc/79/49/38/510794938.db2.gz BSMDQMCSAXJCDL-ZDUSSCGKSA-N 1 0 363.414 2.587 20 5 FFBDRO CC(C)(C)OC(=O)CCC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000182179544 510798918 /nfs/dbraw/zinc/79/89/18/510798918.db2.gz DQZMRHVJWLVXJL-CYBMUJFWSA-N 1 0 350.419 2.598 20 5 FFBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N[C@](C)(C[NH3+])C3CC3)cc2[N+](=O)[O-])C1 ZINC000247117684 510838782 /nfs/dbraw/zinc/83/87/82/510838782.db2.gz MFLCHOUYZDRKLI-LAPQFRIASA-N 1 0 374.485 2.934 20 5 FFBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Nc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000185422066 510841444 /nfs/dbraw/zinc/84/14/44/510841444.db2.gz ZDBBRSPCMYJARD-GUYCJALGSA-N 1 0 354.410 2.626 20 5 FFBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000247216391 510852530 /nfs/dbraw/zinc/85/25/30/510852530.db2.gz CKUCIAZYQPYRRM-DOTOQJQBSA-N 1 0 374.485 2.610 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000293865536 510879563 /nfs/dbraw/zinc/87/95/63/510879563.db2.gz DYYDZZXHUKZKGO-IBGZPJMESA-N 1 0 361.442 2.616 20 5 FFBDRO O=C(NCCCCC[NH+]1CCCC1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000293967000 510913509 /nfs/dbraw/zinc/91/35/09/510913509.db2.gz QHWPQNMWZUTKAH-UHFFFAOYSA-N 1 0 371.441 2.776 20 5 FFBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000270596271 510919328 /nfs/dbraw/zinc/91/93/28/510919328.db2.gz YZTHLRWCMJDWGO-QGZVFWFLSA-N 1 0 360.458 2.797 20 5 FFBDRO CC1(C)CN(Cc2ccccc2)CC[C@@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000282390790 510958454 /nfs/dbraw/zinc/95/84/54/510958454.db2.gz DMJUZKAXDUQZAW-KRWDZBQOSA-N 1 0 357.458 2.682 20 5 FFBDRO NC(=O)c1ccc(CN2CCS[C@@H](c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000364596110 510961088 /nfs/dbraw/zinc/96/10/88/510961088.db2.gz SBOHYJUTPMTGMV-QGZVFWFLSA-N 1 0 357.435 2.984 20 5 FFBDRO Cc1csc2nc(C[N@H+](C)CCc3cccc([N+](=O)[O-])c3)cc(=O)n12 ZINC000282474506 510992459 /nfs/dbraw/zinc/99/24/59/510992459.db2.gz OERKBZJPQWJEMK-UHFFFAOYSA-N 1 0 358.423 2.647 20 5 FFBDRO COc1cc(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)c([N+](=O)[O-])cc1F ZINC000294234023 510999776 /nfs/dbraw/zinc/99/97/76/510999776.db2.gz DVVBUIMRITWGOL-CQSZACIVSA-N 1 0 367.402 2.837 20 5 FFBDRO CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000285664533 511001820 /nfs/dbraw/zinc/00/18/20/511001820.db2.gz MLZRLZNEYKSWQV-RGPMPMONSA-N 1 0 374.485 2.719 20 5 FFBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000270857509 511007040 /nfs/dbraw/zinc/00/70/40/511007040.db2.gz YVMYPUZVFGGTOT-FZKQIMNGSA-N 1 0 358.442 2.752 20 5 FFBDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)C2)C1 ZINC000294301747 511019256 /nfs/dbraw/zinc/01/92/56/511019256.db2.gz VXPWFEPSJIVHDK-KRWDZBQOSA-N 1 0 369.368 2.754 20 5 FFBDRO Cc1cc(Cl)c(C(=O)Nc2ccnn2CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000297669221 511028171 /nfs/dbraw/zinc/02/81/71/511028171.db2.gz FTWKDRFFUGSOGA-UHFFFAOYSA-N 1 0 351.794 2.567 20 5 FFBDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1c1ccc([N+](=O)[O-])c2cnccc21 ZINC000364810006 511093593 /nfs/dbraw/zinc/09/35/93/511093593.db2.gz OBKGORQKFVBTOA-AWEZNQCLSA-N 1 0 356.426 2.833 20 5 FFBDRO Nc1c(C(=O)N2CCC[C@H](c3ncc4n3CCCC4)C2)cccc1[N+](=O)[O-] ZINC000282863412 511139834 /nfs/dbraw/zinc/13/98/34/511139834.db2.gz TZUIXKLJBWLXIY-ZDUSSCGKSA-N 1 0 369.425 2.730 20 5 FFBDRO COC(=O)c1oc([C@H](C)N2CCN(c3ncccc3[N+](=O)[O-])CC2)cc1C ZINC000298027802 511147545 /nfs/dbraw/zinc/14/75/45/511147545.db2.gz FLHXWSKTBRNYEV-ZDUSSCGKSA-N 1 0 374.397 2.561 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1CCC2(CCOCC2)[C@H]1O ZINC000282887915 511149714 /nfs/dbraw/zinc/14/97/14/511149714.db2.gz SMSHSCMTGMQRHH-KSSFIOAISA-N 1 0 364.442 2.651 20 5 FFBDRO COc1ccc(NC(=O)CC[N@H+](C)[C@H](CO)c2ccccc2)c([N+](=O)[O-])c1 ZINC000298067059 511165221 /nfs/dbraw/zinc/16/52/21/511165221.db2.gz JFXPPOAQIITTSX-GOSISDBHSA-N 1 0 373.409 2.597 20 5 FFBDRO CCc1[nH]nc(C(=O)Nc2ccc(CN(C)C)c(Cl)c2)c1[N+](=O)[O-] ZINC000279825175 511230740 /nfs/dbraw/zinc/23/07/40/511230740.db2.gz AIKQFACNMQOSGC-UHFFFAOYSA-N 1 0 351.794 2.848 20 5 FFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CO)C[C@@H](O)c1ccccc1 ZINC000271532110 511236461 /nfs/dbraw/zinc/23/64/61/511236461.db2.gz RGEYPKDQGKFHQE-XFQXTVEOSA-N 1 0 358.438 2.990 20 5 FFBDRO COc1cccc([C@H](C)[NH2+]CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])c1 ZINC000271731763 511304264 /nfs/dbraw/zinc/30/42/64/511304264.db2.gz YQESTOBBEPDWGA-LBPRGKRZSA-N 1 0 359.382 2.901 20 5 FFBDRO C[C@@H]([NH2+]CCOc1cccc(S(C)(=O)=O)c1)c1ccccc1[N+](=O)[O-] ZINC000271761536 511314416 /nfs/dbraw/zinc/31/44/16/511314416.db2.gz PBPRSUIVDZWKLM-CYBMUJFWSA-N 1 0 364.423 2.728 20 5 FFBDRO COC(=O)C1CC[NH+](CCCNc2ccc([N+](=O)[O-])c3cnccc23)CC1 ZINC000298660007 511366154 /nfs/dbraw/zinc/36/61/54/511366154.db2.gz GKZRJQREZQWFCM-UHFFFAOYSA-N 1 0 372.425 2.830 20 5 FFBDRO CCN(CCC[NH+]1CCCC1)C(=O)c1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000295356776 511374937 /nfs/dbraw/zinc/37/49/37/511374937.db2.gz IYHMHMVROXODAU-UHFFFAOYSA-N 1 0 353.394 2.691 20 5 FFBDRO C[C@@H]1CN(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CC[N@@H+](C2CCC2)C1 ZINC000295454955 511411511 /nfs/dbraw/zinc/41/15/11/511411511.db2.gz PKEFJTNHJSTISB-HNNXBMFYSA-N 1 0 373.453 2.891 20 5 FFBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H]2COC3(CCOCC3)O2)cc1[N+](=O)[O-] ZINC000272076482 511423384 /nfs/dbraw/zinc/42/33/84/511423384.db2.gz VSWLLZMVPMTJSR-ZFWWWQNUSA-N 1 0 366.414 2.566 20 5 FFBDRO C[C@@H]1OCC[C@@]12C[N@H+](CCc1ncc(-c3cccc([N+](=O)[O-])c3)o1)CCO2 ZINC000280334817 511425639 /nfs/dbraw/zinc/42/56/39/511425639.db2.gz HMOSARWONYKYLZ-IFXJQAMLSA-N 1 0 373.409 2.672 20 5 FFBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000283724815 511475699 /nfs/dbraw/zinc/47/56/99/511475699.db2.gz WEMCCMQKKXYZLQ-QGZVFWFLSA-N 1 0 362.474 2.899 20 5 FFBDRO COc1cc(C[NH2+][C@H]2CC[C@H](CO)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000295675386 511479248 /nfs/dbraw/zinc/47/92/48/511479248.db2.gz KLZCTDKPVHYQJF-AULYBMBSSA-N 1 0 374.384 2.888 20 5 FFBDRO CCC(=O)c1ccc(N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c([N+](=O)[O-])c1 ZINC000280698301 511566952 /nfs/dbraw/zinc/56/69/52/511566952.db2.gz KATKLELYHUUEQF-KRWDZBQOSA-N 1 0 374.485 2.794 20 5 FFBDRO CC[N@H+](C)Cc1cccc(CNC(=O)c2cc(OC)ccc2[N+](=O)[O-])c1 ZINC000299286050 511578035 /nfs/dbraw/zinc/57/80/35/511578035.db2.gz GGYDWDJLJNLMFD-UHFFFAOYSA-N 1 0 357.410 2.985 20 5 FFBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000292404058 511585636 /nfs/dbraw/zinc/58/56/36/511585636.db2.gz TZXFJGRHCBTETJ-LSDHHAIUSA-N 1 0 360.458 2.728 20 5 FFBDRO C[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1OCCc2sccc21 ZINC000292457687 511604373 /nfs/dbraw/zinc/60/43/73/511604373.db2.gz QBGUIYYAKOFQGO-QFYYESIMSA-N 1 0 361.423 2.547 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000292463842 511606573 /nfs/dbraw/zinc/60/65/73/511606573.db2.gz AEJQPSPANMIXOO-ZDUSSCGKSA-N 1 0 362.430 2.942 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC(Oc3ccncc3C)CC2)c1 ZINC000365737571 511628177 /nfs/dbraw/zinc/62/81/77/511628177.db2.gz XWEJCQAPMHBOQI-UHFFFAOYSA-N 1 0 371.393 2.990 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](OC)C(C)(C)C1 ZINC000296148009 511634780 /nfs/dbraw/zinc/63/47/80/511634780.db2.gz TVFCAWHLLIKOBO-INIZCTEOSA-N 1 0 365.430 2.679 20 5 FFBDRO Cc1n[nH]c(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000299447822 511639870 /nfs/dbraw/zinc/63/98/70/511639870.db2.gz OPEMYYUPCOTEEC-ZDUSSCGKSA-N 1 0 371.441 2.931 20 5 FFBDRO O=C(CC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)Nc1ccccc1F ZINC000365823386 511669793 /nfs/dbraw/zinc/66/97/93/511669793.db2.gz VHTUMWJNPDZEFC-UHFFFAOYSA-N 1 0 361.377 2.596 20 5 FFBDRO CCN(C(=O)[C@@H](C)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1ccccc1 ZINC000365843249 511682077 /nfs/dbraw/zinc/68/20/77/511682077.db2.gz DOKWPLBFJXTFID-OAHLLOKOSA-N 1 0 371.441 2.870 20 5 FFBDRO O=C(C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000296286342 511685154 /nfs/dbraw/zinc/68/51/54/511685154.db2.gz OZLQZZWCGURAOM-IUIKQTSFSA-N 1 0 365.817 2.734 20 5 FFBDRO CN1CC[C@H]([NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000284360808 511696750 /nfs/dbraw/zinc/69/67/50/511696750.db2.gz SVBKZABFYABFFC-LPHOPBHVSA-N 1 0 354.410 2.568 20 5 FFBDRO C[N@H+](CCN1CCN(c2ccccc2)CC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000303794637 511751359 /nfs/dbraw/zinc/75/13/59/511751359.db2.gz VOXZTLGHUFMZON-UHFFFAOYSA-N 1 0 354.454 2.849 20 5 FFBDRO O=[N+]([O-])c1ccc(NCCC[NH+]2CCC(O)CC2)c(Br)c1 ZINC000281214672 511762099 /nfs/dbraw/zinc/76/20/99/511762099.db2.gz NYQHYOAEJAAOFB-UHFFFAOYSA-N 1 0 358.236 2.616 20 5 FFBDRO CC1CC[NH+](C[C@H]2CCCN(C(=O)c3cc([O-])ccc3[N+](=O)[O-])C2)CC1 ZINC000365980983 511763536 /nfs/dbraw/zinc/76/35/36/511763536.db2.gz SPWLZPRXXJCQQH-OAHLLOKOSA-N 1 0 361.442 2.885 20 5 FFBDRO COCCOc1cccc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000366036185 511800194 /nfs/dbraw/zinc/80/01/94/511800194.db2.gz WHGCIZFOIDCPJR-UHFFFAOYSA-N 1 0 360.414 2.654 20 5 FFBDRO C[C@H]1CN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000296699752 511859759 /nfs/dbraw/zinc/85/97/59/511859759.db2.gz KVMPOSYPTANAKJ-LBPRGKRZSA-N 1 0 366.849 2.603 20 5 FFBDRO O=[N+]([O-])c1cncc(Br)c1N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000293157386 511862050 /nfs/dbraw/zinc/86/20/50/511862050.db2.gz UKVXTROUQVLQOT-LLVKDONJSA-N 1 0 355.236 2.674 20 5 FFBDRO Cc1c(C(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000296834236 511915603 /nfs/dbraw/zinc/91/56/03/511915603.db2.gz BHSSPNHECFWLIP-SJORKVTESA-N 1 0 357.385 2.999 20 5 FFBDRO Cc1cc(N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000364112864 511965544 /nfs/dbraw/zinc/96/55/44/511965544.db2.gz WTSKJQJEXWQKQF-MRXNPFEDSA-N 1 0 369.469 2.668 20 5 FFBDRO CCc1cc(NCC2([S@](C)=O)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000281834415 511983985 /nfs/dbraw/zinc/98/39/85/511983985.db2.gz XZKONBAMXVXYKD-VWLOTQADSA-N 1 0 360.439 2.937 20 5 FFBDRO C[NH+](C)[C@]1(CNC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])CCSC1 ZINC000293581192 512016187 /nfs/dbraw/zinc/01/61/87/512016187.db2.gz WYCLJPMYFGHDOS-KRWDZBQOSA-N 1 0 366.487 2.566 20 5 FFBDRO [NH3+]CC[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000281942691 512019654 /nfs/dbraw/zinc/01/96/54/512019654.db2.gz LIURZLOVGIBJNY-SNVBAGLBSA-N 1 0 356.220 2.558 20 5 FFBDRO CC(=O)Nc1cccc(NC(=O)CN(C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000285180838 512028682 /nfs/dbraw/zinc/02/86/82/512028682.db2.gz BSRXPAROYHAOAE-UHFFFAOYSA-N 1 0 370.409 2.666 20 5 FFBDRO O=C(NCC(F)(F)F)[C@H]1CC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000275134019 512051205 /nfs/dbraw/zinc/05/12/05/512051205.db2.gz SNJLKVXKUVHBTG-JTQLQIEISA-N 1 0 365.739 2.749 20 5 FFBDRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000285306500 512071022 /nfs/dbraw/zinc/07/10/22/512071022.db2.gz SHRSVSKKFQBGLN-ZIAGYGMSSA-N 1 0 360.863 2.736 20 5 FFBDRO CNc1nc(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)ccc1[N+](=O)[O-] ZINC000411275293 512556955 /nfs/dbraw/zinc/55/69/55/512556955.db2.gz YIPKYKFYCFVBNW-UHFFFAOYSA-N 1 0 355.398 2.880 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCS[C@@H](C)[C@@H]1C ZINC000411283473 512561563 /nfs/dbraw/zinc/56/15/63/512561563.db2.gz YWDDEOAGNFFLQC-RYUDHWBXSA-N 1 0 353.444 2.758 20 5 FFBDRO COc1ccc(NC(=O)CC[N@@H+]2CCS[C@@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000411283155 512561813 /nfs/dbraw/zinc/56/18/13/512561813.db2.gz YNWNCYDEWCXVSO-NEPJUHHUSA-N 1 0 353.444 2.758 20 5 FFBDRO COc1ccc(NC(=O)CC[N@H+](C(C)C)C2CCOCC2)c([N+](=O)[O-])c1 ZINC000411385868 512611447 /nfs/dbraw/zinc/61/14/47/512611447.db2.gz IVZWUMQQQNPKLT-UHFFFAOYSA-N 1 0 365.430 2.821 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+]C1(CCO)CCCCC1 ZINC000411394472 512615346 /nfs/dbraw/zinc/61/53/46/512615346.db2.gz UAZQNKHFYWQZOZ-UHFFFAOYSA-N 1 0 365.430 2.607 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(CC(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)c1F ZINC000411414769 512624619 /nfs/dbraw/zinc/62/46/19/512624619.db2.gz BZAGILSBMDUUDV-CHWSQXEVSA-N 1 0 367.421 2.522 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(CC(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)c1F ZINC000411414183 512624742 /nfs/dbraw/zinc/62/47/42/512624742.db2.gz HSHJKCAJGNISAY-CHWSQXEVSA-N 1 0 367.421 2.664 20 5 FFBDRO Nc1cccc([N+](=O)[O-])c1C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000367917842 512723470 /nfs/dbraw/zinc/72/34/70/512723470.db2.gz OLFLSTMGASZESO-UHFFFAOYSA-N 1 0 360.458 2.952 20 5 FFBDRO CC(C)[C@]1(CO)CC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000368229067 512855345 /nfs/dbraw/zinc/85/53/45/512855345.db2.gz STMWYFJZKONZNS-LJQANCHMSA-N 1 0 358.442 2.836 20 5 FFBDRO Cn1cnc([N+](=O)[O-])c1CN[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000374533411 512878435 /nfs/dbraw/zinc/87/84/35/512878435.db2.gz BHMNPKBLGNPNCS-KRWDZBQOSA-N 1 0 357.458 2.719 20 5 FFBDRO COc1ccc(OCC[N@@H+]2C[C@H](O)C[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000411949312 512885485 /nfs/dbraw/zinc/88/54/85/512885485.db2.gz QKBABSOVNRSZHP-NVXWUHKLSA-N 1 0 358.394 2.790 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H](C)[N@H+](C)Cc2ccccc2)n1 ZINC000390491310 512907640 /nfs/dbraw/zinc/90/76/40/512907640.db2.gz QNJHILDZBRSTLX-CYBMUJFWSA-N 1 0 358.398 2.709 20 5 FFBDRO CCOc1cc(C[N@@H+]2CCC[C@@H](N3CCCC3=O)CC2)ccc1[N+](=O)[O-] ZINC000412057588 512935321 /nfs/dbraw/zinc/93/53/21/512935321.db2.gz RPEFPYOGZCNHCA-MRXNPFEDSA-N 1 0 361.442 2.970 20 5 FFBDRO CC(C)[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C[C@H]1CCC(=O)N1 ZINC000412064312 512939820 /nfs/dbraw/zinc/93/98/20/512939820.db2.gz CBQBTSHJSWVTCY-OAHLLOKOSA-N 1 0 372.425 2.781 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@@H](C[NH+](C)C)Oc2ccccc21 ZINC000370505424 512968028 /nfs/dbraw/zinc/96/80/28/512968028.db2.gz UAUPGJMAABVNGO-OAHLLOKOSA-N 1 0 355.394 2.873 20 5 FFBDRO C[C@H](NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000412229583 513004987 /nfs/dbraw/zinc/00/49/87/513004987.db2.gz HSBCBGZSBVERME-ZFWWWQNUSA-N 1 0 363.483 2.990 20 5 FFBDRO O=C(CC[N@H+]1CC[C@](O)(c2ccc(F)cc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000374866690 513045813 /nfs/dbraw/zinc/04/58/13/513045813.db2.gz XAIJSQVVKWAJSS-LJQANCHMSA-N 1 0 373.384 2.656 20 5 FFBDRO O=[N+]([O-])c1cccc2c1ccnc2N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000450327786 513144730 /nfs/dbraw/zinc/14/47/30/513144730.db2.gz FKAZAUZRSIPVOQ-OAHLLOKOSA-N 1 0 356.426 2.692 20 5 FFBDRO Cc1c(Br)c(N2CCC[C@H]([NH+](C)C)CC2)ncc1[N+](=O)[O-] ZINC000428682120 513162422 /nfs/dbraw/zinc/16/24/22/513162422.db2.gz QYYNUZOSLYHZIY-NSHDSACASA-N 1 0 357.252 2.981 20 5 FFBDRO C[NH+](C)CCOc1cc(CNc2nccc3cc([N+](=O)[O-])ccc32)ccn1 ZINC000450414847 513184446 /nfs/dbraw/zinc/18/44/46/513184446.db2.gz YSGRLSBBSMXHLV-UHFFFAOYSA-N 1 0 367.409 2.512 20 5 FFBDRO Cc1ccc([C@@H](C)NC(=O)N2CCC(OCCC[NH3+])CC2)cc1[N+](=O)[O-] ZINC000417821684 513222311 /nfs/dbraw/zinc/22/23/11/513222311.db2.gz DRMPKUGRUWBUEE-CQSZACIVSA-N 1 0 364.446 2.504 20 5 FFBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@@H](C)C1 ZINC000429012730 513254614 /nfs/dbraw/zinc/25/46/14/513254614.db2.gz VBJJGKZGCYJVBE-JKIFEVAISA-N 1 0 371.441 2.807 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N[C@H]3CCC[C@H]([NH3+])C3)cc2[N+](=O)[O-])C1 ZINC000446399299 513255899 /nfs/dbraw/zinc/25/58/99/513255899.db2.gz XGORUHBTXSCYCG-KBMXLJTQSA-N 1 0 360.458 2.831 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000429137207 513288041 /nfs/dbraw/zinc/28/80/41/513288041.db2.gz ROZHGLSVHYUDEP-COPLHBTASA-N 1 0 355.822 2.601 20 5 FFBDRO C[N@H+](Cc1ccccc1)C1(CNc2ncc([N+](=O)[O-])cc2C(N)=O)CCC1 ZINC000450708278 513310151 /nfs/dbraw/zinc/31/01/51/513310151.db2.gz CHFSLJLKBPHUEY-UHFFFAOYSA-N 1 0 369.425 2.555 20 5 FFBDRO CCC1(CC)[C@H]([NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@@H](C)[C@H]1OC ZINC000429292038 513330048 /nfs/dbraw/zinc/33/00/48/513330048.db2.gz HTSIRZOWCTYXOO-FSPWUOQZSA-N 1 0 363.458 2.987 20 5 FFBDRO CC(=O)N1CCC[N@H+](C[C@@H]2CCCN(c3cccc(C)c3[N+](=O)[O-])C2)CC1 ZINC000450773505 513334455 /nfs/dbraw/zinc/33/44/55/513334455.db2.gz MPACXDFGTCFAQZ-SFHVURJKSA-N 1 0 374.485 2.674 20 5 FFBDRO CCC1(CC)[C@@H]([NH2+]CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@@H]1OC ZINC000429299654 513334454 /nfs/dbraw/zinc/33/44/54/513334454.db2.gz ZUHKKCWGIYBDEZ-IRXDYDNUSA-N 1 0 361.442 2.667 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC(OCCC[NH3+])CC1 ZINC000415579989 513336323 /nfs/dbraw/zinc/33/63/23/513336323.db2.gz KYJFSCDFBDIEDR-UHFFFAOYSA-N 1 0 350.419 2.573 20 5 FFBDRO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000415636742 513358091 /nfs/dbraw/zinc/35/80/91/513358091.db2.gz YKRRHPJEUSYVAJ-HNNXBMFYSA-N 1 0 350.394 2.976 20 5 FFBDRO Cc1c(NC(=O)NCC2=CC[NH2+]CC2)cc(Br)cc1[N+](=O)[O-] ZINC000415649349 513362434 /nfs/dbraw/zinc/36/24/34/513362434.db2.gz DHHUTEMIKIKEFC-UHFFFAOYSA-N 1 0 369.219 2.707 20 5 FFBDRO Cc1c(CNC(=O)N(CCC[NH3+])Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000418085356 513366858 /nfs/dbraw/zinc/36/68/58/513366858.db2.gz XUMQYIMYEFSXCR-UHFFFAOYSA-N 1 0 356.426 2.964 20 5 FFBDRO [NH3+]C1CCC(NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000415691122 513383045 /nfs/dbraw/zinc/38/30/45/513383045.db2.gz FPRBMKXYSLMGFT-UHFFFAOYSA-N 1 0 357.208 2.749 20 5 FFBDRO Cn1c(=O)c2cc3ccccc3cc2nc1SCC[N@@H+]1CCCOCC1 ZINC000412992255 513383812 /nfs/dbraw/zinc/38/38/12/513383812.db2.gz ULRKFWIJUGFADR-UHFFFAOYSA-N 1 0 369.490 2.901 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N3CC[NH2+][C@H](C)[C@@H]3C)cc2[N+](=O)[O-])C1 ZINC000434715299 513405238 /nfs/dbraw/zinc/40/52/38/513405238.db2.gz XNNKBBVUBUFETK-KFWWJZLASA-N 1 0 360.458 2.654 20 5 FFBDRO O=[N+]([O-])c1ccc2ccnc(N3CCC(C[NH+]4CCOCC4)CC3)c2c1 ZINC000413059642 513415245 /nfs/dbraw/zinc/41/52/45/513415245.db2.gz KYJWBQNDLSPEEJ-UHFFFAOYSA-N 1 0 356.426 2.692 20 5 FFBDRO O=C(Nc1ccc2c(c1)C[NH2+]CC2)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000415888602 513463345 /nfs/dbraw/zinc/46/33/45/513463345.db2.gz AFQHGNQVCBDUNF-UHFFFAOYSA-N 1 0 368.393 2.536 20 5 FFBDRO C[C@H](c1ccncc1)[NH+]1CCC(Nc2c(C(N)=O)cccc2[N+](=O)[O-])CC1 ZINC000425238615 513468243 /nfs/dbraw/zinc/46/82/43/513468243.db2.gz MUSFVJYWWOJGRY-CYBMUJFWSA-N 1 0 369.425 2.726 20 5 FFBDRO CCNC(=O)c1cccc(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000447529920 513499347 /nfs/dbraw/zinc/49/93/47/513499347.db2.gz NCHBWYJCHHJLFB-DLBZAZTESA-N 1 0 371.441 2.815 20 5 FFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC1(N2CCOCC2)CC1 ZINC000447591054 513517305 /nfs/dbraw/zinc/51/73/05/513517305.db2.gz BRFSFYHGPMAHCK-OAHLLOKOSA-N 1 0 365.499 2.920 20 5 FFBDRO O=[N+]([O-])c1cnc(NCc2ccccc2C[N@H+]2CCC[C@H]2CO)c(F)c1 ZINC000413232581 513536498 /nfs/dbraw/zinc/53/64/98/513536498.db2.gz CIYSYIPHHMVXLO-HNNXBMFYSA-N 1 0 360.389 2.698 20 5 FFBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC2(CCC(O)CC2)CC1 ZINC000451157043 513557660 /nfs/dbraw/zinc/55/76/60/513557660.db2.gz VLIYKXNRTDEVJJ-AWEZNQCLSA-N 1 0 361.442 2.939 20 5 FFBDRO [NH3+]C[C@@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CCO1 ZINC000435381312 513570669 /nfs/dbraw/zinc/57/06/69/513570669.db2.gz SPBXEFYXRWINMY-CYBMUJFWSA-N 1 0 351.790 2.668 20 5 FFBDRO CC[NH+](CC)C[C@H](C)Nc1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000447807802 513576264 /nfs/dbraw/zinc/57/62/64/513576264.db2.gz UFXZYGJLLQQEGK-HNNXBMFYSA-N 1 0 350.463 2.569 20 5 FFBDRO COCCN(Cc1ccc(Br)cc1[N+](=O)[O-])[C@H]1CCO[C@@H]1C ZINC000425467615 513581303 /nfs/dbraw/zinc/58/13/03/513581303.db2.gz BTVHMGLPICWUMY-RISCZKNCSA-N 1 0 373.247 2.983 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(c2nnc3n2CCCC3)CC1 ZINC000430200098 513586379 /nfs/dbraw/zinc/58/63/79/513586379.db2.gz FLTPBBILFBKORL-UHFFFAOYSA-N 1 0 371.441 2.911 20 5 FFBDRO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@@H](C1CCOCC1)C1(CO)CCC1 ZINC000425533248 513624148 /nfs/dbraw/zinc/62/41/48/513624148.db2.gz COHZUWYIQZVOBO-KRWDZBQOSA-N 1 0 352.406 2.781 20 5 FFBDRO O=[N+]([O-])c1ccccc1OCC[NH2+][C@@H](C1CCOCC1)C1(CO)CCC1 ZINC000425540770 513628536 /nfs/dbraw/zinc/62/85/36/513628536.db2.gz LYUCWHCLHPSWCP-SFHVURJKSA-N 1 0 364.442 2.521 20 5 FFBDRO Cc1ncsc1CN(C[C@@H]1CC[NH2+]C1)C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000435600621 513631769 /nfs/dbraw/zinc/63/17/69/513631769.db2.gz DSCGBCKYIZSLRE-CQSZACIVSA-N 1 0 374.466 2.920 20 5 FFBDRO Cc1ncsc1CN(C[C@H]1CC[NH2+]C1)C(=O)c1cccc([N+](=O)[O-])c1C ZINC000435602386 513632792 /nfs/dbraw/zinc/63/27/92/513632792.db2.gz CHMDBIVPXPOQFU-AWEZNQCLSA-N 1 0 374.466 2.920 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000430395213 513643275 /nfs/dbraw/zinc/64/32/75/513643275.db2.gz QNAYXDSEWQVMHU-OCCSQVGLSA-N 1 0 369.849 2.958 20 5 FFBDRO O=C(N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000418779177 513654184 /nfs/dbraw/zinc/65/41/84/513654184.db2.gz AZGGBMKKBHMKMG-ARFHVFGLSA-N 1 0 358.442 2.657 20 5 FFBDRO COc1cc(C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)c([N+](=O)[O-])cc1F ZINC000451294018 513659468 /nfs/dbraw/zinc/65/94/68/513659468.db2.gz ISOICFZDTIRGFS-HNNXBMFYSA-N 1 0 353.394 2.593 20 5 FFBDRO Cc1cc(OCC(=O)N2C[C@@H]([NH+](C)C)Cc3ccccc32)ccc1[N+](=O)[O-] ZINC000430531172 513677800 /nfs/dbraw/zinc/67/78/00/513677800.db2.gz UGRVQHHSLSDTHV-INIZCTEOSA-N 1 0 369.421 2.802 20 5 FFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000451349119 513692827 /nfs/dbraw/zinc/69/28/27/513692827.db2.gz WOZOJSTWEUACDM-RNJTYBCJSA-N 1 0 361.442 2.937 20 5 FFBDRO C[NH+](C)C1(CNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)CC1 ZINC000416308744 513702044 /nfs/dbraw/zinc/70/20/44/513702044.db2.gz RTUXFDJYFHHNNP-UHFFFAOYSA-N 1 0 353.397 2.644 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCC[C@@H]3[C@H]3CCC[C@@H]3O)n2)c1 ZINC000451420465 513740475 /nfs/dbraw/zinc/74/04/75/513740475.db2.gz PAHHYBSWNYBGRH-OAGGEKHMSA-N 1 0 358.398 2.770 20 5 FFBDRO CO[C@]1(C)C[C@@H]([NH2+]CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1(C)C ZINC000451488288 513783381 /nfs/dbraw/zinc/78/33/81/513783381.db2.gz MJMOPRDVGQXWFM-CRAIPNDOSA-N 1 0 363.414 2.686 20 5 FFBDRO CC(C)O[C@H]1C[C@@H]([NH2+]CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1(C)C ZINC000451492172 513786235 /nfs/dbraw/zinc/78/62/35/513786235.db2.gz FRYXTFSLLUCKLG-SJORKVTESA-N 1 0 361.442 2.666 20 5 FFBDRO CC(C)O[C@H]1C[C@@H]([NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1(C)C ZINC000451503522 513795190 /nfs/dbraw/zinc/79/51/90/513795190.db2.gz QRIFDPGOFGGTJK-SJORKVTESA-N 1 0 361.442 2.666 20 5 FFBDRO CC(C)O[C@@H]1C[C@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000451511923 513800869 /nfs/dbraw/zinc/80/08/69/513800869.db2.gz ZUTNRZWVWBIYKO-BHYGNILZSA-N 1 0 352.431 2.516 20 5 FFBDRO C[C@H]1C[C@@H](NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC[N@@H+]1C ZINC000426068454 513839262 /nfs/dbraw/zinc/83/92/62/513839262.db2.gz YHYBJVIRRUYHLJ-GWCFXTLKSA-N 1 0 374.363 2.896 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(CC(=O)NC(C)(C)CCC[NH+](C)C)c1F ZINC000413841944 513841996 /nfs/dbraw/zinc/84/19/96/513841996.db2.gz ZDEXCEKGIQLXMH-UHFFFAOYSA-N 1 0 355.410 2.522 20 5 FFBDRO CC(C)[C@H](CO)[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])C(C)C ZINC000451589461 513851919 /nfs/dbraw/zinc/85/19/19/513851919.db2.gz AODVHWNTLLJXMH-ZQIUZPCESA-N 1 0 351.447 2.801 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H](C(C)C)[C@H](CO)C(C)C ZINC000451605384 513862525 /nfs/dbraw/zinc/86/25/25/513862525.db2.gz ZTTDCNRIFGSZBR-RHSMWYFYSA-N 1 0 351.447 2.720 20 5 FFBDRO O=C(C[NH2+][C@@H]([C@H](CO)C1CC1)C1CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000451612793 513865973 /nfs/dbraw/zinc/86/59/73/513865973.db2.gz QGNJNCDXVRDMRP-CXAGYDPISA-N 1 0 367.833 2.573 20 5 FFBDRO Cc1cc(OCC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000431465213 513904021 /nfs/dbraw/zinc/90/40/21/513904021.db2.gz NDAGUCHIZSQYMQ-INIZCTEOSA-N 1 0 363.439 2.763 20 5 FFBDRO Cc1c(NC(=O)CC[N@@H+]2CC[C@@H]3C[C@H](O)CC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000451691482 513913267 /nfs/dbraw/zinc/91/32/67/513913267.db2.gz CHAPOFQEYSACFM-BZUAXINKSA-N 1 0 361.442 2.715 20 5 FFBDRO C[C@H]1CN(C(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C[C@H](C)[NH2+]1 ZINC000422815264 513941152 /nfs/dbraw/zinc/94/11/52/513941152.db2.gz BDLDLRRNVZVQGJ-RYUDHWBXSA-N 1 0 353.397 2.643 20 5 FFBDRO C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](CO)CC(C)(C)C ZINC000451773998 513973293 /nfs/dbraw/zinc/97/32/93/513973293.db2.gz ARSMAJBKLFGVKD-LBPRGKRZSA-N 1 0 357.838 2.916 20 5 FFBDRO O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000448934806 513980028 /nfs/dbraw/zinc/98/00/28/513980028.db2.gz XHFRSOJYAUUXLX-INIZCTEOSA-N 1 0 369.425 2.685 20 5 FFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000423073722 514028943 /nfs/dbraw/zinc/02/89/43/514028943.db2.gz SAQPSPRNOVSAMQ-SFHVURJKSA-N 1 0 371.441 2.767 20 5 FFBDRO C[C@](CO)([NH2+]CCn1cc([N+](=O)[O-])cn1)c1cc(Cl)cc(Cl)c1 ZINC000451901792 514055946 /nfs/dbraw/zinc/05/59/46/514055946.db2.gz BRQJMUPVIQTRRN-CQSZACIVSA-N 1 0 359.213 2.595 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000426854301 514059129 /nfs/dbraw/zinc/05/91/29/514059129.db2.gz RSGMQPVOIOTPBI-MRXNPFEDSA-N 1 0 361.373 2.775 20 5 FFBDRO Cc1cc(N2CCC[C@]3(CC[NH2+]C3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000420258208 514063293 /nfs/dbraw/zinc/06/32/93/514063293.db2.gz XOFJEBARMMGGGA-LJQANCHMSA-N 1 0 353.426 2.940 20 5 FFBDRO C[C@@](CO)([NH2+]CCn1ccc([N+](=O)[O-])n1)c1cc(Cl)cc(Cl)c1 ZINC000451912574 514066721 /nfs/dbraw/zinc/06/67/21/514066721.db2.gz PGEWGNPELZDVJB-AWEZNQCLSA-N 1 0 359.213 2.595 20 5 FFBDRO [NH3+][C@@H]1CCC[C@@H](CNc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)C1 ZINC000420288366 514074952 /nfs/dbraw/zinc/07/49/52/514074952.db2.gz SCWGGCNWOBWHFT-HZPDHXFCSA-N 1 0 356.426 2.920 20 5 FFBDRO C[NH2+]CCC1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000420309925 514084592 /nfs/dbraw/zinc/08/45/92/514084592.db2.gz PCUPPGCKVVDFFT-UHFFFAOYSA-N 1 0 354.838 2.508 20 5 FFBDRO O=C(C[N@@H+]1CCC[C@@]2(CCSC2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000451963609 514098613 /nfs/dbraw/zinc/09/86/13/514098613.db2.gz HQUXUUJHQWGRNW-GOSISDBHSA-N 1 0 361.467 2.703 20 5 FFBDRO COc1cc(CN2CC[C@@H](C)C[C@H]2C[NH3+])c([N+](=O)[O-])cc1OC(F)F ZINC000420343828 514102939 /nfs/dbraw/zinc/10/29/39/514102939.db2.gz RSOUCRSPGAIULM-PWSUYJOCSA-N 1 0 359.373 2.764 20 5 FFBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000449204066 514112607 /nfs/dbraw/zinc/11/26/07/514112607.db2.gz LXXROKGQEQCMEF-HOTGVXAUSA-N 1 0 360.458 2.635 20 5 FFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1NCCc2ccccc21 ZINC000423431312 514140488 /nfs/dbraw/zinc/14/04/88/514140488.db2.gz QJRMJGWVOOYDCS-AUUYWEPGSA-N 1 0 368.437 2.789 20 5 FFBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCCN1CCCO ZINC000449386008 514189682 /nfs/dbraw/zinc/18/96/82/514189682.db2.gz HBSZHWGOTIQTDG-YTQUADARSA-N 1 0 361.486 2.742 20 5 FFBDRO COc1cc(C[NH2+][C@H]2CCC[C@@H](CO)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000414578603 514190405 /nfs/dbraw/zinc/19/04/05/514190405.db2.gz PPXQEUSDYVIMTL-YPMHNXCESA-N 1 0 374.384 2.888 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H]3CCCN(CCCO)C3)o2)cc1 ZINC000449393419 514192262 /nfs/dbraw/zinc/19/22/62/514192262.db2.gz BXJXQBZPMZKIDG-INIZCTEOSA-N 1 0 359.426 2.791 20 5 FFBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCCCN1CCO ZINC000449394590 514192662 /nfs/dbraw/zinc/19/26/62/514192662.db2.gz NXYYHNYBBXEHBK-YTQUADARSA-N 1 0 361.486 2.742 20 5 FFBDRO NC(=O)c1cccc([N+](=O)[O-])c1NCc1ccccc1C[NH+]1CCCC1 ZINC000420586946 514192899 /nfs/dbraw/zinc/19/28/99/514192899.db2.gz PBIRJVXHGYIEFT-UHFFFAOYSA-N 1 0 354.410 2.902 20 5 FFBDRO C[C@H](CNc1c(C(N)=O)cccc1[N+](=O)[O-])[N@@H+]1CCc2sccc2C1 ZINC000420585761 514192990 /nfs/dbraw/zinc/19/29/90/514192990.db2.gz MYTHOSYRSTWVIT-LLVKDONJSA-N 1 0 360.439 2.614 20 5 FFBDRO COC[C@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000452106137 514194959 /nfs/dbraw/zinc/19/49/59/514194959.db2.gz QEDWFYWJWAPDEY-AWEZNQCLSA-N 1 0 365.430 2.681 20 5 FFBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCCN(CCCO)C1 ZINC000449399199 514197188 /nfs/dbraw/zinc/19/71/88/514197188.db2.gz YKOWIARNXXZMSR-WDSOQIARSA-N 1 0 361.486 2.742 20 5 FFBDRO CC[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C12CC3CC(CC(C3)C1)C2 ZINC000437645541 514201410 /nfs/dbraw/zinc/20/14/10/514201410.db2.gz JXPAICYILRDLLV-JIVOQWMMSA-N 1 0 362.474 2.737 20 5 FFBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000452120841 514205431 /nfs/dbraw/zinc/20/54/31/514205431.db2.gz JNTUOKHUXPMVJV-HDMKZQKVSA-N 1 0 373.453 2.746 20 5 FFBDRO O=[N+]([O-])c1cc(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)c2c(c1)COCO2 ZINC000449455051 514216865 /nfs/dbraw/zinc/21/68/65/514216865.db2.gz QEBYSMRJMBFYSK-KZNAEPCWSA-N 1 0 362.426 2.977 20 5 FFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC1(CF)CCOCC1 ZINC000449488623 514227330 /nfs/dbraw/zinc/22/73/30/514227330.db2.gz JGSWQMOXWVENFV-CYBMUJFWSA-N 1 0 353.394 2.668 20 5 FFBDRO C[C@H]1CN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CC[N@@H+](C2CC2)C1 ZINC000452169546 514227882 /nfs/dbraw/zinc/22/78/82/514227882.db2.gz GILCMHNRLPPBJK-LLVKDONJSA-N 1 0 369.368 2.753 20 5 FFBDRO CC[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000414735378 514263221 /nfs/dbraw/zinc/26/32/21/514263221.db2.gz LLYQAGWSTTUNJS-CYBMUJFWSA-N 1 0 370.409 2.520 20 5 FFBDRO CC1(C)CCC[N@H+](CCNC(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000444621321 514275079 /nfs/dbraw/zinc/27/50/79/514275079.db2.gz YZCJMXQSZRZXMN-UHFFFAOYSA-N 1 0 351.472 2.925 20 5 FFBDRO CCOc1cc(NC(=O)N[C@H]2CC[NH2+]C[C@H]2C)c([N+](=O)[O-])cc1OCC ZINC000414754154 514275310 /nfs/dbraw/zinc/27/53/10/514275310.db2.gz FTGJGYGSJPDWRH-NEPJUHHUSA-N 1 0 366.418 2.512 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)cc1SC ZINC000449642202 514277398 /nfs/dbraw/zinc/27/73/98/514277398.db2.gz FWGWHWLHUSWUGZ-MNOVXSKESA-N 1 0 353.444 2.573 20 5 FFBDRO CCc1ccccc1[C@H]([NH3+])CNC(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 ZINC000423938606 514296547 /nfs/dbraw/zinc/29/65/47/514296547.db2.gz JPGFGLLTGGMWBC-OAHLLOKOSA-N 1 0 373.409 2.604 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000449683590 514302075 /nfs/dbraw/zinc/30/20/75/514302075.db2.gz PNCTXEMWVSEBSG-YPMHNXCESA-N 1 0 355.822 2.664 20 5 FFBDRO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000423957982 514307817 /nfs/dbraw/zinc/30/78/17/514307817.db2.gz LYWHGWSXBSMKNV-SJORKVTESA-N 1 0 372.469 2.799 20 5 FFBDRO CC1(C)C[NH2+]CC[C@H]1NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000449699457 514311944 /nfs/dbraw/zinc/31/19/44/514311944.db2.gz QWPCGHOUYVUFKC-CQSZACIVSA-N 1 0 360.439 2.836 20 5 FFBDRO C[C@@H]1CN(C(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)C[C@@]1(C)C[NH3+] ZINC000423990675 514325390 /nfs/dbraw/zinc/32/53/90/514325390.db2.gz KSFHQJKYFSDVDD-BXTJHSDWSA-N 1 0 374.485 2.888 20 5 FFBDRO CCC[C@@]1(CO)CCC[N@@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000444778507 514329674 /nfs/dbraw/zinc/32/96/74/514329674.db2.gz WBIPYBNMTJODEJ-SFHVURJKSA-N 1 0 363.414 2.520 20 5 FFBDRO COC(=O)[C@H]1C[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C[C@@H]1c1ccccc1 ZINC000449752409 514335790 /nfs/dbraw/zinc/33/57/90/514335790.db2.gz FLCCBPCRBFGKJY-SJORKVTESA-N 1 0 370.405 2.992 20 5 FFBDRO COc1cc(C(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)cc([N+](=O)[O-])c1C ZINC000424048286 514356190 /nfs/dbraw/zinc/35/61/90/514356190.db2.gz YNFOJKFHNCHBQV-KRWDZBQOSA-N 1 0 361.442 2.762 20 5 FFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1NCCc2ccccc21 ZINC000414942077 514367034 /nfs/dbraw/zinc/36/70/34/514367034.db2.gz BGYNRQHGHMRWPQ-KUHUBIRLSA-N 1 0 368.437 2.789 20 5 FFBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)C[C@@H]21 ZINC000414956304 514375926 /nfs/dbraw/zinc/37/59/26/514375926.db2.gz VEWLHXNMLNPMDB-ADEWGFFLSA-N 1 0 370.356 2.787 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](CC(F)(F)F)C2)c1 ZINC000420938481 514388191 /nfs/dbraw/zinc/38/81/91/514388191.db2.gz AWYVRSDJBZDBOM-OCCSQVGLSA-N 1 0 362.348 2.999 20 5 FFBDRO CC[C@H]1C[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C[C@H](CC)O1 ZINC000420946432 514395395 /nfs/dbraw/zinc/39/53/95/514395395.db2.gz BSYWNVSLVMEVTQ-GJZGRUSLSA-N 1 0 365.430 2.821 20 5 FFBDRO COc1cc(C[NH2+]CC2(CO)CC(c3ccccc3)C2)c([N+](=O)[O-])cc1O ZINC000433204817 514420172 /nfs/dbraw/zinc/42/01/72/514420172.db2.gz AYBWSCREBPPKEM-UHFFFAOYSA-N 1 0 372.421 2.955 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C[C@@H]1C ZINC000449968952 514446223 /nfs/dbraw/zinc/44/62/23/514446223.db2.gz CKIGKHBGWRNEDT-BBRMVZONSA-N 1 0 371.441 2.930 20 5 FFBDRO [NH3+]C[C@@H](CN1CCN(c2cccc([N+](=O)[O-])c2)CC1)c1ccc(F)cc1 ZINC000424301766 514450771 /nfs/dbraw/zinc/45/07/71/514450771.db2.gz LHEIPRQQYLCHSY-INIZCTEOSA-N 1 0 358.417 2.598 20 5 FFBDRO COc1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c([N+](=O)[O-])cc1F ZINC000450007727 514462849 /nfs/dbraw/zinc/46/28/49/514462849.db2.gz CNUMKUIYYZABJT-OLZOCXBDSA-N 1 0 365.405 2.830 20 5 FFBDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000450017416 514466572 /nfs/dbraw/zinc/46/65/72/514466572.db2.gz NWSKWRIXGRSRNR-OAHLLOKOSA-N 1 0 371.441 2.931 20 5 FFBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000450017415 514466696 /nfs/dbraw/zinc/46/66/96/514466696.db2.gz NWSKWRIXGRSRNR-HNNXBMFYSA-N 1 0 371.441 2.931 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H](c2ccc(C)cc2)[NH+](C)C)n1 ZINC000439159500 514502352 /nfs/dbraw/zinc/50/23/52/514502352.db2.gz JIGIIJYYNYUWQH-INIZCTEOSA-N 1 0 358.398 2.800 20 5 FFBDRO C[C@H](c1ccccc1)[C@H](O)C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000450260843 514570025 /nfs/dbraw/zinc/57/00/25/514570025.db2.gz LFTBNINCKMNUOX-OXQOHEQNSA-N 1 0 355.438 2.881 20 5 FFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCN(CCCO)C1 ZINC000453268543 514582766 /nfs/dbraw/zinc/58/27/66/514582766.db2.gz QEEUNAIVJKPLDU-CVEARBPZSA-N 1 0 367.515 2.902 20 5 FFBDRO C[NH+](C)Cc1cccc(C(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000461405147 514598351 /nfs/dbraw/zinc/59/83/51/514598351.db2.gz XSRYOARAUQHEJC-UHFFFAOYSA-N 1 0 355.394 2.691 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000475314507 514616321 /nfs/dbraw/zinc/61/63/21/514616321.db2.gz UQYFBCFEAFFGII-MRXNPFEDSA-N 1 0 369.421 2.950 20 5 FFBDRO C[NH+](C)CCN(Cc1ccsc1)C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000458212884 514633515 /nfs/dbraw/zinc/63/35/15/514633515.db2.gz BZOQPZMRYLWUMN-UHFFFAOYSA-N 1 0 365.430 2.928 20 5 FFBDRO CC(C)c1n[nH]c(C(=O)N(CC[NH+](C)C)Cc2ccsc2)c1[N+](=O)[O-] ZINC000458235943 514652427 /nfs/dbraw/zinc/65/24/27/514652427.db2.gz ZYSNRYKJINDJSQ-UHFFFAOYSA-N 1 0 365.459 2.707 20 5 FFBDRO Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000508416734 514774300 /nfs/dbraw/zinc/77/43/00/514774300.db2.gz RJDFIQMPAUTJNO-UHFFFAOYSA-N 1 0 370.457 2.703 20 5 FFBDRO COc1ccc(OCC[N@@H+]2CCC[C@]3(CCCOC3)C2)c([N+](=O)[O-])c1 ZINC000475746818 514791222 /nfs/dbraw/zinc/79/12/22/514791222.db2.gz HIUNZXXWIGUCET-SFHVURJKSA-N 1 0 350.415 2.875 20 5 FFBDRO CC[C@H](CO)[NH+]1CCN(c2cc(C)c([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000461948328 514800722 /nfs/dbraw/zinc/80/07/22/514800722.db2.gz ROPFHHLQJVRXJJ-GFCCVEGCSA-N 1 0 361.364 2.815 20 5 FFBDRO Cc1cc(N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461946063 514800915 /nfs/dbraw/zinc/80/09/15/514800915.db2.gz LZVZZOHEKYBJTQ-RYUDHWBXSA-N 1 0 361.364 2.813 20 5 FFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1F)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000471272442 514821128 /nfs/dbraw/zinc/82/11/28/514821128.db2.gz KAAZQAJZNGMMIU-MRXNPFEDSA-N 1 0 371.412 2.915 20 5 FFBDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)NCCc2ccccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000489416115 514836667 /nfs/dbraw/zinc/83/66/67/514836667.db2.gz YYMHWPAUFUCVHA-MPGHIAIKSA-N 1 0 360.458 2.509 20 5 FFBDRO CC[NH+](CC)[C@H](C)CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000471364060 514850833 /nfs/dbraw/zinc/85/08/33/514850833.db2.gz RXTSPBDTSRIJEU-LLVKDONJSA-N 1 0 372.263 2.746 20 5 FFBDRO C[C@H]([NH2+]CCCN1C(=O)NC2(CCCC2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000480149092 514856479 /nfs/dbraw/zinc/85/64/79/514856479.db2.gz VGMLNQFKOZIKQI-ZDUSSCGKSA-N 1 0 360.414 2.500 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000467042971 514875060 /nfs/dbraw/zinc/87/50/60/514875060.db2.gz DEKHKBWLMOZDHJ-UHFFFAOYSA-N 1 0 357.410 2.638 20 5 FFBDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000489717055 514949559 /nfs/dbraw/zinc/94/95/59/514949559.db2.gz PTGWMEJLEIHEGJ-CQSZACIVSA-N 1 0 363.414 2.564 20 5 FFBDRO COCC[C@@H]([NH2+][C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)C(C)(C)C ZINC000508989147 514978471 /nfs/dbraw/zinc/97/84/71/514978471.db2.gz ZLTQKUZXMARFHX-MLGOLLRUSA-N 1 0 367.446 2.971 20 5 FFBDRO COc1cc(N2CCC(CCC[NH+]3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000503295256 514992964 /nfs/dbraw/zinc/99/29/64/514992964.db2.gz HYJQTSWNRSGBEU-UHFFFAOYSA-N 1 0 363.458 2.932 20 5 FFBDRO COc1ccccc1[C@@H](CNc1ncnc2cccc([N+](=O)[O-])c21)[NH+](C)C ZINC000509070655 515011057 /nfs/dbraw/zinc/01/10/57/515011057.db2.gz SYTPBULAXAKJJL-MRXNPFEDSA-N 1 0 367.409 2.683 20 5 FFBDRO C[C@@H](CNc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1)[N@H+](C)C1CC1 ZINC000462482891 515077650 /nfs/dbraw/zinc/07/76/50/515077650.db2.gz BWYSSSZXBBWLEV-AWEZNQCLSA-N 1 0 356.426 2.885 20 5 FFBDRO O=[N+]([O-])c1cccc([C@@H](NC[C@@H](O)C[NH+]2CCCC2)c2ccccc2)c1 ZINC000490149312 515121325 /nfs/dbraw/zinc/12/13/25/515121325.db2.gz ITGFSVNKUFKHFO-UXHICEINSA-N 1 0 355.438 2.731 20 5 FFBDRO COCCO[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000485686421 515141766 /nfs/dbraw/zinc/14/17/66/515141766.db2.gz JOUQXHPEAGIDCU-FUHWJXTLSA-N 1 0 352.431 2.628 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCCC[N@H+]2CCCC[C@@H]2C)c1C ZINC000480936772 515142332 /nfs/dbraw/zinc/14/23/32/515142332.db2.gz PBLYPVCNVNZIEX-AWEZNQCLSA-N 1 0 369.487 2.754 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000480985832 515162340 /nfs/dbraw/zinc/16/23/40/515162340.db2.gz WEWGXMOYPHHDIX-DZGCQCFKSA-N 1 0 369.487 2.705 20 5 FFBDRO C[C@H]1CCCN(c2ccc(C(=O)N3CC[C@]4(CC[NH2+]C4)C3)cc2[N+](=O)[O-])C1 ZINC000462644288 515166915 /nfs/dbraw/zinc/16/69/15/515166915.db2.gz WXNIHFWEIUAMKP-YWZLYKJASA-N 1 0 372.469 2.657 20 5 FFBDRO CC[N@@H+]1CCCC[C@H]1CNc1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000472340589 515233398 /nfs/dbraw/zinc/23/33/98/515233398.db2.gz NMGIIXQONJYFML-KRWDZBQOSA-N 1 0 362.474 2.713 20 5 FFBDRO CC[NH+](CC)CCn1ccc2cc(NC(=O)c3cc([N+](=O)[O-])n[nH]3)ccc21 ZINC000509563959 515233302 /nfs/dbraw/zinc/23/33/02/515233302.db2.gz JZDAUFRXNAPNQS-UHFFFAOYSA-N 1 0 370.413 2.867 20 5 FFBDRO C[C@@H]1CCC[N@H+](CCNc2cc(CN3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000472371488 515248054 /nfs/dbraw/zinc/24/80/54/515248054.db2.gz ZQMSLZGREYVVQE-MRXNPFEDSA-N 1 0 362.474 2.571 20 5 FFBDRO CC[N@@H+]1CCC[C@@H](CN(C)c2ccc([N+](=O)[O-])nc2)[C@@H]1c1cnn(C)c1 ZINC000509631613 515265846 /nfs/dbraw/zinc/26/58/46/515265846.db2.gz GFRCWNZQZZZGEB-KBXCAEBGSA-N 1 0 358.446 2.633 20 5 FFBDRO COc1ccc(NC(=O)N[C@H](C)C[NH+]2CCCCCC2)cc1[N+](=O)[O-] ZINC000481286657 515276773 /nfs/dbraw/zinc/27/67/73/515276773.db2.gz NGHNGTZFOIGEER-CYBMUJFWSA-N 1 0 350.419 2.989 20 5 FFBDRO CC(C)[C@@H](CNc1ccc([N+](=O)[O-])c(OC(F)F)c1)[NH+]1CCN(C)CC1 ZINC000462920558 515300461 /nfs/dbraw/zinc/30/04/61/515300461.db2.gz ZVJRWRJUKSYDOA-OAHLLOKOSA-N 1 0 372.416 2.880 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(C(F)F)CC1 ZINC000486127765 515345159 /nfs/dbraw/zinc/34/51/59/515345159.db2.gz ZAMOAFSNUJMCML-UHFFFAOYSA-N 1 0 357.357 2.909 20 5 FFBDRO COCC1(C[N@@H+]2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)CCC1 ZINC000463126750 515376450 /nfs/dbraw/zinc/37/64/50/515376450.db2.gz VOXXODMKTXFZBL-UHFFFAOYSA-N 1 0 373.457 2.800 20 5 FFBDRO Cc1c([C@@H](C)[NH2+]C[C@@H](O)COc2ccc3c(c2)OCO3)cccc1[N+](=O)[O-] ZINC000481554758 515376737 /nfs/dbraw/zinc/37/67/37/515376737.db2.gz CBGZCFJZGCYGTN-ZIAGYGMSSA-N 1 0 374.393 2.722 20 5 FFBDRO COC(=O)c1cc(NC(=O)c2ccccc2C[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000486381805 515459834 /nfs/dbraw/zinc/45/98/34/515459834.db2.gz RMPAXJWNXLQRBP-UHFFFAOYSA-N 1 0 357.366 2.695 20 5 FFBDRO CNC(=O)N[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000468689099 515470898 /nfs/dbraw/zinc/47/08/98/515470898.db2.gz SACJTIWEYNPXEA-GFCCVEGCSA-N 1 0 360.439 2.827 20 5 FFBDRO C[C@H]1C[C@@H](CCNC(=O)c2ccc([N+](=O)[O-])[nH]2)C[N@@H+]1Cc1ccccc1 ZINC000510259443 515486199 /nfs/dbraw/zinc/48/61/99/515486199.db2.gz QAZRFSQXWSLLOY-GOEBONIOSA-N 1 0 356.426 2.953 20 5 FFBDRO COc1ccccc1[C@@H]1CC[C@@H](C)C[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000510258614 515486346 /nfs/dbraw/zinc/48/63/46/515486346.db2.gz ZXOFNIBEKBOKLL-KYJSFNMBSA-N 1 0 374.441 2.634 20 5 FFBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@@H](c1ccccc1)C1(CO)CCCC1 ZINC000459542066 515634290 /nfs/dbraw/zinc/63/42/90/515634290.db2.gz LDGLOCRVDXBXJZ-IBGZPJMESA-N 1 0 371.437 2.640 20 5 FFBDRO C[NH+](C)CCOc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)ccn1 ZINC000478129678 515711082 /nfs/dbraw/zinc/71/10/82/515711082.db2.gz BERHMYHDURDERP-UHFFFAOYSA-N 1 0 364.789 2.836 20 5 FFBDRO C[N@@H+]1CCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C(C)(C)C1 ZINC000500507615 515744637 /nfs/dbraw/zinc/74/46/37/515744637.db2.gz ICVAMRBAFMCLGV-UHFFFAOYSA-N 1 0 355.822 2.570 20 5 FFBDRO COc1cc(C[NH2+][C@@]2(C)CCO[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000494248394 515783223 /nfs/dbraw/zinc/78/32/23/515783223.db2.gz RGWFQDBPCDJNPY-HWPZZCPQSA-N 1 0 360.357 2.904 20 5 FFBDRO CO[C@H]1C[C@@H]([NH2+]CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C12CCC2 ZINC000459777477 515799047 /nfs/dbraw/zinc/79/90/47/515799047.db2.gz VZUBWBMPGKMGSM-KGLIPLIRSA-N 1 0 353.806 2.734 20 5 FFBDRO CO[C@@H]1C[C@@H]([NH2+]CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C12CCC2 ZINC000459777481 515800356 /nfs/dbraw/zinc/80/03/56/515800356.db2.gz VZUBWBMPGKMGSM-ZIAGYGMSSA-N 1 0 353.806 2.734 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+]Cc2cc(C)cc(OC)c2)cc1[N+](=O)[O-] ZINC000473998056 515835766 /nfs/dbraw/zinc/83/57/66/515835766.db2.gz ZRNPTHQPFCDHQR-UHFFFAOYSA-N 1 0 374.393 2.753 20 5 FFBDRO Cn1cnc([N+](=O)[O-])c1C[N@H+](CCCOc1ccccc1)C1CCOCC1 ZINC000464598800 515887812 /nfs/dbraw/zinc/88/78/12/515887812.db2.gz XBTZTNUOEVVTHC-UHFFFAOYSA-N 1 0 374.441 2.778 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000494606961 515894956 /nfs/dbraw/zinc/89/49/56/515894956.db2.gz CYZACJQFIXLXNX-AWEZNQCLSA-N 1 0 369.421 2.780 20 5 FFBDRO C[C@@H](CCCC[NH3+])NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000494651149 515910297 /nfs/dbraw/zinc/91/02/97/515910297.db2.gz ANSIBKFIZPLXKH-JTQLQIEISA-N 1 0 358.236 2.534 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000494687936 515925528 /nfs/dbraw/zinc/92/55/28/515925528.db2.gz WHVRRIVDBFFNRU-UHFFFAOYSA-N 1 0 361.373 2.604 20 5 FFBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000511531533 515936078 /nfs/dbraw/zinc/93/60/78/515936078.db2.gz ZCBCDKMMHDRFFJ-HZPDHXFCSA-N 1 0 362.474 2.899 20 5 FFBDRO C[C@H]1C[C@H](NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000501087493 515973985 /nfs/dbraw/zinc/97/39/85/515973985.db2.gz UQWQGTDFMDRWST-GXSJLCMTSA-N 1 0 371.235 2.962 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+]Cc2cc(F)cc(F)c2)cc1[N+](=O)[O-] ZINC000474342706 516001485 /nfs/dbraw/zinc/00/14/85/516001485.db2.gz RMGGVOWKKLFPKC-UHFFFAOYSA-N 1 0 366.320 2.715 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+][C@H]2CCCc3occc32)cc1[N+](=O)[O-] ZINC000474371037 516017537 /nfs/dbraw/zinc/01/75/37/516017537.db2.gz LATHOZKCGIGRRB-AWEZNQCLSA-N 1 0 360.366 2.907 20 5 FFBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000487895201 516022136 /nfs/dbraw/zinc/02/21/36/516022136.db2.gz JWBUKVQBBQJDQX-LSDHHAIUSA-N 1 0 368.865 2.963 20 5 FFBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000501228236 516024051 /nfs/dbraw/zinc/02/40/51/516024051.db2.gz MRCQQNKSHFJBPX-NVXWUHKLSA-N 1 0 369.421 2.925 20 5 FFBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1 ZINC000488028079 516085733 /nfs/dbraw/zinc/08/57/33/516085733.db2.gz SGOHGLFXGBDLPN-HDMKZQKVSA-N 1 0 360.458 2.509 20 5 FFBDRO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)c3ccc([N+](=O)[O-])n3C)cc2)C1 ZINC000465198539 516090542 /nfs/dbraw/zinc/09/05/42/516090542.db2.gz VDMMGFXCFIRARX-CQSZACIVSA-N 1 0 372.425 2.906 20 5 FFBDRO C[C@@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])C1=CC[N@H+](C)CC1 ZINC000512118134 516160001 /nfs/dbraw/zinc/16/00/01/516160001.db2.gz GNSNPHMBQWVICG-NEPJUHHUSA-N 1 0 367.833 2.782 20 5 FFBDRO CC[N@H+](CC(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CC1 ZINC000479444736 516195659 /nfs/dbraw/zinc/19/56/59/516195659.db2.gz YGVCEXSJRZKRLY-UHFFFAOYSA-N 1 0 374.363 2.626 20 5 FFBDRO CC[C@@H]([NH2+][C@@H]1CCC(=O)N[C@H]1c1cnn(CC)c1)c1cccc([N+](=O)[O-])c1 ZINC000488494191 516239240 /nfs/dbraw/zinc/23/92/40/516239240.db2.gz VXGKIHYEXQSELX-LMMKCTJWSA-N 1 0 371.441 2.872 20 5 FFBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000507618704 516264150 /nfs/dbraw/zinc/26/41/50/516264150.db2.gz SXERDXXWNYOCIL-DOTOQJQBSA-N 1 0 369.421 2.925 20 5 FFBDRO C[C@H](CNC(=O)NCCc1ccccc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000465875061 516278138 /nfs/dbraw/zinc/27/81/38/516278138.db2.gz LNACPVNSTJXJRF-MRXNPFEDSA-N 1 0 370.453 2.957 20 5 FFBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(c2ncc(Br)cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488727236 516295237 /nfs/dbraw/zinc/29/52/37/516295237.db2.gz WJRGMUKMWKPYDJ-DMDPSCGWSA-N 1 0 369.263 2.919 20 5 FFBDRO CS(=O)(=O)c1cccc(NCCC[NH2+]C2CCCCC2)c1[N+](=O)[O-] ZINC000497542748 516325695 /nfs/dbraw/zinc/32/56/95/516325695.db2.gz HNBHEGJZXZRLJZ-UHFFFAOYSA-N 1 0 355.460 2.723 20 5 FFBDRO C[C@H](C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H](C)CO)c1ccccc1 ZINC000554280147 516358662 /nfs/dbraw/zinc/35/86/62/516358662.db2.gz XJDGGCVGZMLKNI-CABCVRRESA-N 1 0 371.437 2.680 20 5 FFBDRO O=C(N1CCCC1)N1CCC[C@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000517586820 516377074 /nfs/dbraw/zinc/37/70/74/516377074.db2.gz VVPPQXIBJLIFDH-YOEHRIQHSA-N 1 0 358.442 2.852 20 5 FFBDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000523286589 516423390 /nfs/dbraw/zinc/42/33/90/516423390.db2.gz BQRWPZZFGZJYTL-UHFFFAOYSA-N 1 0 373.457 2.683 20 5 FFBDRO CCCN1CCC[C@H]1C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000513068240 516458761 /nfs/dbraw/zinc/45/87/61/516458761.db2.gz IQLCDQAURJTALM-SFHVURJKSA-N 1 0 357.458 2.959 20 5 FFBDRO COc1ccc(NC(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000543891899 516484184 /nfs/dbraw/zinc/48/41/84/516484184.db2.gz KSISVIIFBIFUNB-INIZCTEOSA-N 1 0 372.425 2.898 20 5 FFBDRO CCCC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000523622363 516521830 /nfs/dbraw/zinc/52/18/30/516521830.db2.gz BLMJQBRIXWEUNS-HNNXBMFYSA-N 1 0 369.487 2.836 20 5 FFBDRO CN(C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000551014617 516522970 /nfs/dbraw/zinc/52/29/70/516522970.db2.gz OGJYCSYDNPHYFR-LBPRGKRZSA-N 1 0 357.332 2.922 20 5 FFBDRO CCc1n[nH]c(C(=O)N(CC[NH+]2CCCCCC2)C(C)C)c1[N+](=O)[O-] ZINC000557983769 516535315 /nfs/dbraw/zinc/53/53/15/516535315.db2.gz FZKURPFALUJYFF-UHFFFAOYSA-N 1 0 351.451 2.607 20 5 FFBDRO Cn1cnc2cc(C[NH+]3CCN(c4cccc([N+](=O)[O-])c4)CC3)ccc21 ZINC000540507982 516592995 /nfs/dbraw/zinc/59/29/95/516592995.db2.gz PCIZCBGBXFBYEN-UHFFFAOYSA-N 1 0 351.410 2.804 20 5 FFBDRO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)C1CCOCC1 ZINC000540522729 516599234 /nfs/dbraw/zinc/59/92/34/516599234.db2.gz WIFMGWGMUHSFBM-SWLSCSKDSA-N 1 0 365.430 2.725 20 5 FFBDRO C[C@H]1CN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC[N@@H+](C2CCC2)C1 ZINC000561534331 516638533 /nfs/dbraw/zinc/63/85/33/516638533.db2.gz KLYMOTJFNDUFSS-GFCCVEGCSA-N 1 0 367.396 2.748 20 5 FFBDRO COc1cc(C[C@H](CO)C[NH2+]Cc2csc([N+](=O)[O-])c2)cc(OC)c1 ZINC000540612779 516642170 /nfs/dbraw/zinc/64/21/70/516642170.db2.gz QXURPSSBMWDURY-ZDUSSCGKSA-N 1 0 366.439 2.614 20 5 FFBDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000518505353 516684755 /nfs/dbraw/zinc/68/47/55/516684755.db2.gz PNMRKFINUBDHIV-INIZCTEOSA-N 1 0 368.437 2.652 20 5 FFBDRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000551541418 516751975 /nfs/dbraw/zinc/75/19/75/516751975.db2.gz QGLSWPJZHWLQSV-GOSISDBHSA-N 1 0 357.410 2.565 20 5 FFBDRO COCC[C@@H](C)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000558490873 516774436 /nfs/dbraw/zinc/77/44/36/516774436.db2.gz KRCKNACVWQRROQ-SECBINFHSA-N 1 0 364.183 2.714 20 5 FFBDRO CC[N@H+](CCC1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1)CC1CC1 ZINC000536615214 516856915 /nfs/dbraw/zinc/85/69/15/516856915.db2.gz QLCKZUHOEVGJQP-UHFFFAOYSA-N 1 0 372.473 2.976 20 5 FFBDRO Cn1ccnc1[C@H](NC1CC[NH+](C2CC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000514105539 516866152 /nfs/dbraw/zinc/86/61/52/516866152.db2.gz RTPYMAOMWLOOLQ-GOSISDBHSA-N 1 0 355.442 2.634 20 5 FFBDRO COc1ccc(NC(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000541100983 516875119 /nfs/dbraw/zinc/87/51/19/516875119.db2.gz LXFVLMXPECMTQV-CHWSQXEVSA-N 1 0 350.419 2.845 20 5 FFBDRO COc1ccc(NC(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000541100985 516875159 /nfs/dbraw/zinc/87/51/59/516875159.db2.gz LXFVLMXPECMTQV-OLZOCXBDSA-N 1 0 350.419 2.845 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000525024172 516899386 /nfs/dbraw/zinc/89/93/86/516899386.db2.gz PEYWHOFOWPWRPG-MBNYWOFBSA-N 1 0 369.849 2.814 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CCNc3cnccn3)cs2)c1 ZINC000532373375 516940954 /nfs/dbraw/zinc/94/09/54/516940954.db2.gz AUXWJMBKCFNGOQ-UHFFFAOYSA-N 1 0 356.411 2.710 20 5 FFBDRO CCN(C(=O)c1cc([N+](=O)[O-])cn1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000544848588 516959304 /nfs/dbraw/zinc/95/93/04/516959304.db2.gz FQSGKRAFWBTGOH-INIZCTEOSA-N 1 0 356.426 2.670 20 5 FFBDRO CC[NH+](CC)CC1CCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000532478902 516996863 /nfs/dbraw/zinc/99/68/63/516996863.db2.gz WXJKDWXNGNYDIJ-LJQANCHMSA-N 1 0 374.485 2.754 20 5 FFBDRO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000537178359 517070450 /nfs/dbraw/zinc/07/04/50/517070450.db2.gz DOCURFGUPGKKLW-DGCLKSJQSA-N 1 0 359.430 2.931 20 5 FFBDRO CC1=CC[N@H+](CCNC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000545151333 517074017 /nfs/dbraw/zinc/07/40/17/517074017.db2.gz JMGHKNXZWVJOON-UHFFFAOYSA-N 1 0 360.458 2.869 20 5 FFBDRO C[C@H]([NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C1(S(C)(=O)=O)CC1 ZINC000552099806 517079095 /nfs/dbraw/zinc/07/90/95/517079095.db2.gz UNKCUPFJCCZPBM-XHDPSFHLSA-N 1 0 352.456 2.873 20 5 FFBDRO COc1cc(C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)cc([N+](=O)[O-])c1OC ZINC000525579711 517081689 /nfs/dbraw/zinc/08/16/89/517081689.db2.gz ISYSBLCLYLGSSS-UHFFFAOYSA-N 1 0 365.430 2.558 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000541524964 517093410 /nfs/dbraw/zinc/09/34/10/517093410.db2.gz BGIAWSCSGMZUQI-UHFFFAOYSA-N 1 0 364.446 2.619 20 5 FFBDRO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C1CCOCC1 ZINC000537220085 517095563 /nfs/dbraw/zinc/09/55/63/517095563.db2.gz MVZFUJIGHYWNKX-WFASDCNBSA-N 1 0 365.430 2.725 20 5 FFBDRO Cc1cc(N2CCC[C@H]([NH2+][C@H]3CCc4c3cccc4[N+](=O)[O-])C2)n(C)n1 ZINC000519643231 517101627 /nfs/dbraw/zinc/10/16/27/517101627.db2.gz GPVCIJDWTCAORW-YOEHRIQHSA-N 1 0 355.442 2.883 20 5 FFBDRO CN(CCOc1cccc([N+](=O)[O-])c1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000532717190 517111852 /nfs/dbraw/zinc/11/18/52/517111852.db2.gz ALJYFWKPSHFJAV-GOSISDBHSA-N 1 0 355.394 2.711 20 5 FFBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[N@H+](CC2CCC2)CC1 ZINC000559248315 517131229 /nfs/dbraw/zinc/13/12/29/517131229.db2.gz ACJZPUCKXQCBMI-UHFFFAOYSA-N 1 0 370.453 2.953 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)c1 ZINC000537312124 517139585 /nfs/dbraw/zinc/13/95/85/517139585.db2.gz QZRAOTFSGRGIPN-HNNXBMFYSA-N 1 0 361.442 2.805 20 5 FFBDRO COC(=O)c1cc(NC(=O)CC[N@H+](C)C2CCCCC2)cc([N+](=O)[O-])c1 ZINC000548716970 517163182 /nfs/dbraw/zinc/16/31/82/517163182.db2.gz SCJKJTFWEFWOBV-UHFFFAOYSA-N 1 0 363.414 2.975 20 5 FFBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]Cc1nnnn1-c1ccccc1)C1CC1 ZINC000537423132 517182779 /nfs/dbraw/zinc/18/27/79/517182779.db2.gz NDKLOVFLAYOOIP-KRWDZBQOSA-N 1 0 364.409 2.681 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@@H]2C[C@@H]2c2ccccc2)cc1 ZINC000541760463 517201468 /nfs/dbraw/zinc/20/14/68/517201468.db2.gz NLCOBDHQZCYOEM-MAUKXSAKSA-N 1 0 360.435 2.762 20 5 FFBDRO C[N@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)C1Cc2ccccc2C1 ZINC000532929087 517207903 /nfs/dbraw/zinc/20/79/03/517207903.db2.gz UZBRXOBOVAHCRF-UHFFFAOYSA-N 1 0 367.405 2.992 20 5 FFBDRO C[NH+](C)C[C@H](O)COc1ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000519895410 517237387 /nfs/dbraw/zinc/23/73/87/517237387.db2.gz CFVDZYQNGQRXIS-INIZCTEOSA-N 1 0 374.397 2.540 20 5 FFBDRO CC(C)[NH+]1CCN([C@@H]2CCN(c3c4ccccc4ncc3[N+](=O)[O-])C2)CC1 ZINC000515272378 517277758 /nfs/dbraw/zinc/27/77/58/517277758.db2.gz MXRBRJDTWBVUOL-MRXNPFEDSA-N 1 0 369.469 2.748 20 5 FFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCC[C@H]1C(=O)NC ZINC000552578202 517312776 /nfs/dbraw/zinc/31/27/76/517312776.db2.gz XIHFKZAYGHMDQF-MCIONIFRSA-N 1 0 351.472 2.970 20 5 FFBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000559563177 517317755 /nfs/dbraw/zinc/31/77/55/517317755.db2.gz DGWBXIPRBJQFTQ-SECBINFHSA-N 1 0 370.247 2.878 20 5 FFBDRO CNc1ccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1[N+](=O)[O-] ZINC000533312691 517401793 /nfs/dbraw/zinc/40/17/93/517401793.db2.gz NQNRUCONUIBKRL-WMLDXEAASA-N 1 0 358.442 2.725 20 5 FFBDRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)c2cccc([N+](=O)[O-])c2OC)cc1 ZINC000552818143 517403572 /nfs/dbraw/zinc/40/35/72/517403572.db2.gz BZOLMPCYYNZRGO-MRXNPFEDSA-N 1 0 373.409 2.645 20 5 FFBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+][C@H]1CCCC12CCCC2 ZINC000559789120 517427811 /nfs/dbraw/zinc/42/78/11/517427811.db2.gz XWAXOEGFBBFMAY-INIZCTEOSA-N 1 0 367.471 2.576 20 5 FFBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H](O)COCc1ccccc1F ZINC000549173476 517437937 /nfs/dbraw/zinc/43/79/37/517437937.db2.gz XGYYYDFMVVDQJU-GOSISDBHSA-N 1 0 362.401 2.786 20 5 FFBDRO CCOC(=O)[C@@]1(C(C)C)CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000559988719 517519196 /nfs/dbraw/zinc/51/91/96/517519196.db2.gz FQUKQWFYYDZDDJ-SFHVURJKSA-N 1 0 350.415 2.885 20 5 FFBDRO O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000562973571 517545848 /nfs/dbraw/zinc/54/58/48/517545848.db2.gz MDKPCYRJAFIZTM-LLVKDONJSA-N 1 0 373.331 2.502 20 5 FFBDRO COc1ccc(C(C)(C)C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000562984663 517558120 /nfs/dbraw/zinc/55/81/20/517558120.db2.gz FCJGEMKIWWXJQC-MRXNPFEDSA-N 1 0 374.437 2.911 20 5 FFBDRO CCOc1cc(C[NH2+][C@@H]2CCC[C@@H]3CN(C(C)=O)C[C@H]32)ccc1[N+](=O)[O-] ZINC000516111696 517570923 /nfs/dbraw/zinc/57/09/23/517570923.db2.gz BEKFQEQYCCWEGV-BRWVUGGUSA-N 1 0 361.442 2.730 20 5 FFBDRO C[NH+](C)[C@@H]1CCc2cc(NC[C@H](O)COc3cccc([N+](=O)[O-])c3)ccc21 ZINC000563009925 517580876 /nfs/dbraw/zinc/58/08/76/517580876.db2.gz NXEJUAITMCEZGD-FXAWDEMLSA-N 1 0 371.437 2.996 20 5 FFBDRO Cc1cc(C)c(S(=O)(=O)NCCCCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000549524858 517601678 /nfs/dbraw/zinc/60/16/78/517601678.db2.gz PDJWRSXDUGUHFG-UHFFFAOYSA-N 1 0 369.487 2.756 20 5 FFBDRO Cn1ncc([N+](=O)[O-])c1-c1nc(-c2ccc(C[NH+]3CCCC3)cc2)no1 ZINC000546240905 517610542 /nfs/dbraw/zinc/61/05/42/517610542.db2.gz XSBOCOUWBOUYDN-UHFFFAOYSA-N 1 0 354.370 2.641 20 5 FFBDRO CC[N@@H+]1CCC[C@H](CNC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000542654158 517671623 /nfs/dbraw/zinc/67/16/23/517671623.db2.gz UPFAGGYLRVGRBS-LLVKDONJSA-N 1 0 357.357 2.658 20 5 FFBDRO CCc1ccc(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000542693294 517689316 /nfs/dbraw/zinc/68/93/16/517689316.db2.gz QXAWOKMNBRHMFH-UHFFFAOYSA-N 1 0 354.453 2.782 20 5 FFBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CC(=O)N(C)[C@H]2c2nccn2C)cc1[N+](=O)[O-] ZINC000560357567 517727330 /nfs/dbraw/zinc/72/73/30/517727330.db2.gz AQFLBWSLZLHJDR-DHSIGJKJSA-N 1 0 371.441 2.507 20 5 FFBDRO COc1cc(C(=O)N[C@]2(C)CC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000563235265 517760922 /nfs/dbraw/zinc/76/09/22/517760922.db2.gz OXANEJJSTZHFMK-HXUWFJFHSA-N 1 0 369.421 2.998 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000530491165 517807561 /nfs/dbraw/zinc/80/75/61/517807561.db2.gz SEZBEXGLPVYEOW-MRXNPFEDSA-N 1 0 369.487 2.692 20 5 FFBDRO C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])cn2C)CC[N@@H+]1Cc1ccccc1 ZINC000530709898 517933065 /nfs/dbraw/zinc/93/30/65/517933065.db2.gz KJSDWHRIPIZBGT-ZBFHGGJFSA-N 1 0 356.426 2.716 20 5 FFBDRO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000530712745 517935374 /nfs/dbraw/zinc/93/53/74/517935374.db2.gz LZURAQBBVDCBSL-LSDHHAIUSA-N 1 0 369.487 2.774 20 5 FFBDRO CCc1ccccc1[C@H]([NH3+])CNC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000563569870 517990652 /nfs/dbraw/zinc/99/06/52/517990652.db2.gz AZSNQWYBCGWWGK-GOSISDBHSA-N 1 0 372.425 2.535 20 5 FFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)C2)nc1 ZINC000560729799 517992315 /nfs/dbraw/zinc/99/23/15/517992315.db2.gz OTBMXCOGLQDGPD-MJGOQNOKSA-N 1 0 367.453 2.751 20 5 FFBDRO COc1ccc(-c2ccc(C[NH2+]C3CCC(C(N)=O)CC3)o2)c([N+](=O)[O-])c1 ZINC000522212592 518036276 /nfs/dbraw/zinc/03/62/76/518036276.db2.gz PAMZLDCXNDDRAY-UHFFFAOYSA-N 1 0 373.409 2.997 20 5 FFBDRO CC[NH+]1CCN(c2ccc(CNc3c(F)cccc3[N+](=O)[O-])cn2)CC1 ZINC000557507848 518044538 /nfs/dbraw/zinc/04/45/38/518044538.db2.gz BMTNKTHBBKYGPD-UHFFFAOYSA-N 1 0 359.405 2.883 20 5 FFBDRO C[C@H](CCNC(=O)NCCNc1ccc([N+](=O)[O-])cc1)[NH+]1CCCCC1 ZINC000543378681 518058577 /nfs/dbraw/zinc/05/85/77/518058577.db2.gz CNVREXMUBGONDN-OAHLLOKOSA-N 1 0 363.462 2.570 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@H](CC(C)C)[NH+](C)C)c1 ZINC000539526743 518088901 /nfs/dbraw/zinc/08/89/01/518088901.db2.gz YQRKCZRMEHJRJU-HNNXBMFYSA-N 1 0 351.447 2.765 20 5 FFBDRO CC[C@H]([NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1c(C)nn(C)c1C ZINC000543455741 518100679 /nfs/dbraw/zinc/10/06/79/518100679.db2.gz AXQAFTVCUKESEJ-HNNXBMFYSA-N 1 0 359.430 2.933 20 5 FFBDRO COc1ccc(CNC(=O)NCC[N@H+](C)C2CCCCC2)cc1[N+](=O)[O-] ZINC000522427538 518106198 /nfs/dbraw/zinc/10/61/98/518106198.db2.gz MBEGKKQUNUKDOA-UHFFFAOYSA-N 1 0 364.446 2.667 20 5 FFBDRO C[NH+](C)CC1CCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000522638728 518139263 /nfs/dbraw/zinc/13/92/63/518139263.db2.gz DHEPMXOHOSPIBH-UHFFFAOYSA-N 1 0 369.849 2.817 20 5 FFBDRO COc1ccc(OCC[N@@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000566884677 518246681 /nfs/dbraw/zinc/24/66/81/518246681.db2.gz QNOLNTSZRCZQRF-SJORKVTESA-N 1 0 350.415 2.872 20 5 FFBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000578551859 518262790 /nfs/dbraw/zinc/26/27/90/518262790.db2.gz ZKVTXCVYXWXPPA-LLVKDONJSA-N 1 0 355.385 2.604 20 5 FFBDRO COc1cccc(C(=O)NCc2ccccc2Cn2ccnc2)c1[N+](=O)[O-] ZINC000569740748 518268176 /nfs/dbraw/zinc/26/81/76/518268176.db2.gz CPFQWDWUAFEGFR-UHFFFAOYSA-N 1 0 366.377 2.778 20 5 FFBDRO CC(C)(C)OC(=O)CN(Cc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000566977457 518294385 /nfs/dbraw/zinc/29/43/85/518294385.db2.gz VZWSWWYPXFNMAF-UHFFFAOYSA-N 1 0 350.415 2.918 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000564132032 518317694 /nfs/dbraw/zinc/31/76/94/518317694.db2.gz ZMKUHRGIMXWUFE-JXFKEZNVSA-N 1 0 368.437 2.877 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])cc1SC ZINC000581543005 518337228 /nfs/dbraw/zinc/33/72/28/518337228.db2.gz YLEGJTRVAGRGLM-PWSUYJOCSA-N 1 0 353.444 2.667 20 5 FFBDRO Cc1ncc2c(n1)CC[C@H]([NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)C2 ZINC000578721020 518340818 /nfs/dbraw/zinc/34/08/18/518340818.db2.gz IMLXBGPXODMNHZ-UAGQMJEPSA-N 1 0 356.430 2.521 20 5 FFBDRO CSc1ccc(CC[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000584465485 518354924 /nfs/dbraw/zinc/35/49/24/518354924.db2.gz LAGWKGLBHKKWHR-HNNXBMFYSA-N 1 0 362.451 2.889 20 5 FFBDRO COC1(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCC(C)CC1 ZINC000572835341 518383591 /nfs/dbraw/zinc/38/35/91/518383591.db2.gz UNLFFUGMSKYSQO-BFHRDPOASA-N 1 0 352.431 2.519 20 5 FFBDRO CC1(C)CCC[N@@H+]1CCNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000581868915 518476203 /nfs/dbraw/zinc/47/62/03/518476203.db2.gz GTYFGYBWMZNCLG-UHFFFAOYSA-N 1 0 374.485 2.802 20 5 FFBDRO C[C@H]1CCCC[C@@H]1CN(CC[NH3+])c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000564500876 518476416 /nfs/dbraw/zinc/47/64/16/518476416.db2.gz WSZYMYLDKZLNFO-UONOGXRCSA-N 1 0 369.487 2.590 20 5 FFBDRO CC[NH+](CC)C[C@H](C)Nc1ccc([N+](=O)[O-])c(N2CCOCC2)c1F ZINC000567366607 518488864 /nfs/dbraw/zinc/48/88/64/518488864.db2.gz DICVHXILYJYGHW-ZDUSSCGKSA-N 1 0 354.426 2.713 20 5 FFBDRO CCC[N@@H+]1CCC[C@H]1CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000570233627 518507530 /nfs/dbraw/zinc/50/75/30/518507530.db2.gz WMGGJOYAOUQXOA-ZWKOTPCHSA-N 1 0 357.458 2.882 20 5 FFBDRO C[C@@]1(NC(=O)Cc2ccc([N+](=O)[O-])cc2)CC[N@H+](Cc2ccccc2)C1 ZINC000573125000 518519484 /nfs/dbraw/zinc/51/94/84/518519484.db2.gz RVRMEBXUTFEBRQ-HXUWFJFHSA-N 1 0 353.422 2.918 20 5 FFBDRO O=[N+]([O-])c1ccccc1OCC[N@H+](Cc1ccccc1)[C@@]1(CO)CCOC1 ZINC000585718507 518573177 /nfs/dbraw/zinc/57/31/77/518573177.db2.gz JEEGKIGWMUKVNG-HXUWFJFHSA-N 1 0 372.421 2.627 20 5 FFBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000564754281 518597502 /nfs/dbraw/zinc/59/75/02/518597502.db2.gz KKADDFZGFWDQTE-FCEWJHQRSA-N 1 0 374.485 2.895 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H]2CCOC3(CCCCC3)C2)c1 ZINC000567605389 518611238 /nfs/dbraw/zinc/61/12/38/518611238.db2.gz QWEQSUFHKWEJEZ-DOTOQJQBSA-N 1 0 364.442 2.806 20 5 FFBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)c1cc(F)cc2c1[nH]c1ccc(F)cc1c2=O ZINC000576519175 518631140 /nfs/dbraw/zinc/63/11/40/518631140.db2.gz DZSBVDVOHFXIOS-VHSXEESVSA-N 1 0 359.376 2.815 20 5 FFBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)c1cc(F)cc2c1[nH]c1ccc(F)cc1c2=O ZINC000576519171 518631763 /nfs/dbraw/zinc/63/17/63/518631763.db2.gz DZSBVDVOHFXIOS-UWVGGRQHSA-N 1 0 359.376 2.815 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H]2CCO[C@@H](c3ccccc3)C2)c1 ZINC000579345499 518637491 /nfs/dbraw/zinc/63/74/91/518637491.db2.gz GEYADGCCWZUYHB-ILZDJORESA-N 1 0 372.421 2.844 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)cc1SC ZINC000567672978 518645469 /nfs/dbraw/zinc/64/54/69/518645469.db2.gz XWPYGTNASLUMNR-KRWDZBQOSA-N 1 0 365.455 2.541 20 5 FFBDRO CC1CC[NH+](CCc2cccc(NC(=O)c3cc([N+](=O)[O-])n[nH]3)c2)CC1 ZINC000586803675 518648564 /nfs/dbraw/zinc/64/85/64/518648564.db2.gz YMZLDTWENQGXIA-UHFFFAOYSA-N 1 0 357.414 2.845 20 5 FFBDRO CC(C)[C@@H](C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1cccnc1 ZINC000570564349 518669451 /nfs/dbraw/zinc/66/94/51/518669451.db2.gz NBEMZJUXGPPYJB-IEBWSBKVSA-N 1 0 359.426 2.759 20 5 FFBDRO C[C@@H]1C[N@@H+](CCCCNc2ncnc3sc([N+](=O)[O-])cc32)C[C@H](C)O1 ZINC000587994479 518694229 /nfs/dbraw/zinc/69/42/29/518694229.db2.gz KTZKDQHRKYYHOY-TXEJJXNPSA-N 1 0 365.459 2.901 20 5 FFBDRO C[C@@H]1C[NH+](CCCCNc2ncnc3sc([N+](=O)[O-])cc32)C[C@@H](C)O1 ZINC000587994480 518695129 /nfs/dbraw/zinc/69/51/29/518695129.db2.gz KTZKDQHRKYYHOY-VXGBXAGGSA-N 1 0 365.459 2.901 20 5 FFBDRO C[C@H](NC(=O)N1CCc2ccccc2[C@@H]1C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000564935549 518703757 /nfs/dbraw/zinc/70/37/57/518703757.db2.gz DMYGHDLRQQHIQZ-UGSOOPFHSA-N 1 0 354.410 2.924 20 5 FFBDRO C[NH+](C)[C@@H](CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000573598310 518744075 /nfs/dbraw/zinc/74/40/75/518744075.db2.gz YNCLTPLLVSGNBV-KRWDZBQOSA-N 1 0 363.364 2.835 20 5 FFBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000576825901 518782827 /nfs/dbraw/zinc/78/28/27/518782827.db2.gz KFGVFXSJAKVVFJ-ZDUSSCGKSA-N 1 0 356.426 2.945 20 5 FFBDRO O=C1C[C@H](C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CN1C1CC1 ZINC000565098593 518784716 /nfs/dbraw/zinc/78/47/16/518784716.db2.gz MCBIQXPFRWGYDT-RVKKMQEKSA-N 1 0 357.454 2.907 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000588771282 518826563 /nfs/dbraw/zinc/82/65/63/518826563.db2.gz QVYRHTPJOAYVRA-RDTXWAMCSA-N 1 0 369.421 2.996 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2CCN(CC(F)(F)F)C2)n1 ZINC000570896193 518828879 /nfs/dbraw/zinc/82/88/79/518828879.db2.gz AEPZYJLAXHLNGW-FRRDWIJNSA-N 1 0 361.368 2.501 20 5 FFBDRO CCOc1ccc(C(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000582623516 518844371 /nfs/dbraw/zinc/84/43/71/518844371.db2.gz JTOHZOALBUMQFW-CQSZACIVSA-N 1 0 361.442 2.940 20 5 FFBDRO C[NH+](C)CCN(Cc1ccco1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000589197500 518947801 /nfs/dbraw/zinc/94/78/01/518947801.db2.gz WXOMYHRNVHRNMA-UHFFFAOYSA-N 1 0 361.398 2.523 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H]2CCOc3c(F)cccc32)c1 ZINC000574033806 518956249 /nfs/dbraw/zinc/95/62/49/518956249.db2.gz MIUQGJGZNNYABZ-DYVFJYSZSA-N 1 0 362.357 2.587 20 5 FFBDRO CSC1(CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[NH+](C)CC1 ZINC000568336846 518984838 /nfs/dbraw/zinc/98/48/38/518984838.db2.gz HBKHNAXUMUHMGN-UHFFFAOYSA-N 1 0 357.863 2.805 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000568353126 518993812 /nfs/dbraw/zinc/99/38/12/518993812.db2.gz SXOHMDBNMZTYFZ-INIZCTEOSA-N 1 0 365.430 2.679 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(CN2CCC[C@@H]2C[NH+]2CCCCC2)c1 ZINC000589497143 519018098 /nfs/dbraw/zinc/01/80/98/519018098.db2.gz DJJOGSZSOAQVRA-QGZVFWFLSA-N 1 0 361.442 2.832 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCCCC[C@H]2C[C@@H](C)O)c1 ZINC000589518593 519023444 /nfs/dbraw/zinc/02/34/44/519023444.db2.gz ZVZJQDJXLLWYLH-CJNGLKHVSA-N 1 0 350.415 2.897 20 5 FFBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000589534942 519026391 /nfs/dbraw/zinc/02/63/91/519026391.db2.gz JAFXHYNJUUAAPV-CQSZACIVSA-N 1 0 359.430 2.631 20 5 FFBDRO NC(=O)c1ccnc(N[C@@H](C[NH+]2CCCCC2)c2ccccc2)c1[N+](=O)[O-] ZINC000589578274 519033844 /nfs/dbraw/zinc/03/38/44/519033844.db2.gz TVTGAERMIPMLMR-INIZCTEOSA-N 1 0 369.425 2.728 20 5 FFBDRO CC[C@@H]1C[N@H+](C)CCN1Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000568468356 519050883 /nfs/dbraw/zinc/05/08/83/519050883.db2.gz VVRVHTGKAAQHAA-GFCCVEGCSA-N 1 0 359.373 2.731 20 5 FFBDRO CN(CCC[N@H+](C)Cc1ccncc1)C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000580238762 519074609 /nfs/dbraw/zinc/07/46/09/519074609.db2.gz VMKCYWUMBQWOIH-UHFFFAOYSA-N 1 0 360.389 2.723 20 5 FFBDRO COc1ccccc1C1(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000577484537 519105558 /nfs/dbraw/zinc/10/55/58/519105558.db2.gz KGNZPDUHIVIWHG-OAHLLOKOSA-N 1 0 372.421 2.665 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000590014364 519129592 /nfs/dbraw/zinc/12/95/92/519129592.db2.gz BSRIDNIQDJWCMW-SJKOYZFVSA-N 1 0 367.833 2.570 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C2CCN(c3ccccc3)CC2)c1 ZINC000565795381 519136918 /nfs/dbraw/zinc/13/69/18/519136918.db2.gz ZBVJGZHJQJHGMS-IBGZPJMESA-N 1 0 371.437 2.593 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C2CCN(c3ccccc3)CC2)c1 ZINC000565795383 519137280 /nfs/dbraw/zinc/13/72/80/519137280.db2.gz ZBVJGZHJQJHGMS-LJQANCHMSA-N 1 0 371.437 2.593 20 5 FFBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]Cc3cnc(N4CCCC4)nc3)c2c1 ZINC000571559463 519158119 /nfs/dbraw/zinc/15/81/19/519158119.db2.gz OMFCCXXUDXNKLA-UHFFFAOYSA-N 1 0 366.425 2.799 20 5 FFBDRO Cn1cc([C@H]2CN(Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2(C)C)cn1 ZINC000565842680 519158284 /nfs/dbraw/zinc/15/82/84/519158284.db2.gz UMDYXYAGMBRMOD-CQSZACIVSA-N 1 0 354.414 2.830 20 5 FFBDRO Cc1cc(N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000590140278 519159626 /nfs/dbraw/zinc/15/96/26/519159626.db2.gz ODLNOKVGPNXAAQ-LSDHHAIUSA-N 1 0 359.348 2.831 20 5 FFBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)[C@H]1n1cccn1 ZINC000590196267 519171598 /nfs/dbraw/zinc/17/15/98/519171598.db2.gz IKFLNBAQCFRMBD-BZUAXINKSA-N 1 0 350.806 2.953 20 5 FFBDRO C[NH+](C)CCn1cc(NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)cn1 ZINC000590201052 519172577 /nfs/dbraw/zinc/17/25/77/519172577.db2.gz JISIGJTWHPZJSH-UHFFFAOYSA-N 1 0 371.319 2.624 20 5 FFBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000580437310 519176101 /nfs/dbraw/zinc/17/61/01/519176101.db2.gz QSGHXLLOZVEAQD-UHFFFAOYSA-N 1 0 362.474 2.901 20 5 FFBDRO COC1CCC(C)(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000577723297 519224189 /nfs/dbraw/zinc/22/41/89/519224189.db2.gz PPNCBBDSVSXMBT-KSTDHSDQSA-N 1 0 352.431 2.519 20 5 FFBDRO O=[N+]([O-])c1cncc(Br)c1N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000580533936 519225067 /nfs/dbraw/zinc/22/50/67/519225067.db2.gz AQCKVOHIQAJSKI-LLVKDONJSA-N 1 0 355.236 2.578 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CC1(c2ccc(F)cc2)CC1 ZINC000571717429 519236517 /nfs/dbraw/zinc/23/65/17/519236517.db2.gz BRCRNXRCJMIZJA-INIZCTEOSA-N 1 0 360.385 2.795 20 5 FFBDRO C[C@@H](CCc1ccc(O)cc1)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000577859868 519295062 /nfs/dbraw/zinc/29/50/62/519295062.db2.gz KRSSNYYRDFCTDU-KBXCAEBGSA-N 1 0 360.410 2.651 20 5 FFBDRO C[NH+](C)CCn1cc(NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])cn1 ZINC000590627934 519295313 /nfs/dbraw/zinc/29/53/13/519295313.db2.gz KOSXYQAZQRAYKJ-UHFFFAOYSA-N 1 0 371.319 2.624 20 5 FFBDRO COc1cccc2c1C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC2 ZINC000590759691 519354918 /nfs/dbraw/zinc/35/49/18/519354918.db2.gz IJUVPYQGBBZHPP-UHFFFAOYSA-N 1 0 355.394 2.990 20 5 FFBDRO CC[C@@H](C)[NH2+][C@H](CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)c1ccco1 ZINC000580793375 519361489 /nfs/dbraw/zinc/36/14/89/519361489.db2.gz DXCGASLDEZDDQD-IAQYHMDHSA-N 1 0 371.397 2.923 20 5 FFBDRO C[C@H]1CN(C(=O)c2cc(F)cc3c2[nH]c2ccc(F)cc2c3=O)CC[C@H]1[NH3+] ZINC000566201293 519365828 /nfs/dbraw/zinc/36/58/28/519365828.db2.gz OLYXLBQJSJJVAZ-MGPLVRAMSA-N 1 0 371.387 2.769 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC[C@H]([NH+]3[C@H](C)CC[C@H]3C)C2)n1 ZINC000574933660 519411427 /nfs/dbraw/zinc/41/14/27/519411427.db2.gz BLKNABGOMXHOIT-MCIONIFRSA-N 1 0 362.430 2.618 20 5 FFBDRO CCc1cccc(OC[C@@H](O)C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1 ZINC000572149408 519468200 /nfs/dbraw/zinc/46/82/00/519468200.db2.gz CTRGEBPGESNOSP-HNNXBMFYSA-N 1 0 370.409 2.563 20 5 FFBDRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000569283756 519469143 /nfs/dbraw/zinc/46/91/43/519469143.db2.gz OCWPQTJDNZZYGI-CYBMUJFWSA-N 1 0 361.446 2.647 20 5 FFBDRO CC[C@H]1CN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CC[C@@H]1[NH3+] ZINC000591279354 519572616 /nfs/dbraw/zinc/57/26/16/519572616.db2.gz MMKJHNMVCDQQDF-ONGXEEELSA-N 1 0 358.345 2.787 20 5 FFBDRO CC(C)(C)c1ccncc1C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000575248615 519572751 /nfs/dbraw/zinc/57/27/51/519572751.db2.gz MYSGLXXPEHWQRK-MRXNPFEDSA-N 1 0 359.426 2.817 20 5 FFBDRO C[C@@H](C(=O)NCC1([NH+](C)C)Cc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000584087883 519583128 /nfs/dbraw/zinc/58/31/28/519583128.db2.gz NRMAXLNYFKBBBZ-OAHLLOKOSA-N 1 0 367.449 2.914 20 5 FFBDRO CC[C@H]1CN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC[C@@H]1[NH3+] ZINC000591357233 519607327 /nfs/dbraw/zinc/60/73/27/519607327.db2.gz SKRVYOLPKSWBFH-FZMZJTMJSA-N 1 0 374.363 2.882 20 5 FFBDRO Cc1c(NC(=O)[C@H](C)N2CC[N@H+](C)[C@H](C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000602875314 519942542 /nfs/dbraw/zinc/94/25/42/519942542.db2.gz ZMKYUMDBCXYBKV-YOEHRIQHSA-N 1 0 362.474 2.892 20 5 FFBDRO C[C@@H]1CC[C@@H](NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C[NH2+]1 ZINC000599917198 519949419 /nfs/dbraw/zinc/94/94/19/519949419.db2.gz HCNJNWCFQMAFQX-BXKDBHETSA-N 1 0 360.336 2.553 20 5 FFBDRO C[C@H]1CC[C@H](NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C[NH2+]1 ZINC000599917200 519949765 /nfs/dbraw/zinc/94/97/65/519949765.db2.gz HCNJNWCFQMAFQX-CABZTGNLSA-N 1 0 360.336 2.553 20 5 FFBDRO C[NH+](C)C[C@H]1COC2(CCCC2)CN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000602908507 519964326 /nfs/dbraw/zinc/96/43/26/519964326.db2.gz VICPSCNLAZGKBE-HNNXBMFYSA-N 1 0 373.457 2.546 20 5 FFBDRO O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000591686169 519999229 /nfs/dbraw/zinc/99/92/29/519999229.db2.gz NHWLJUOENXGXNJ-STQMWFEESA-N 1 0 359.357 2.817 20 5 FFBDRO CC(C)(C)[C@@H]1OCCC[C@@H]1C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000591740806 520017431 /nfs/dbraw/zinc/01/74/31/520017431.db2.gz JTBUPTCOUXNQHI-RVKKMQEKSA-N 1 0 366.458 2.765 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2COc3c2cccc3Cl)c1 ZINC000591753811 520022272 /nfs/dbraw/zinc/02/22/72/520022272.db2.gz LLASVOUFTDWSPO-MLGOLLRUSA-N 1 0 364.785 2.711 20 5 FFBDRO C[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H](c1ccccc1)N(C)C ZINC000591761298 520026079 /nfs/dbraw/zinc/02/60/79/520026079.db2.gz HKZCLWLZRVQZQO-QSFXBCCZSA-N 1 0 373.453 2.616 20 5 FFBDRO Cc1cccc2c1OCC[C@H]2[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000591763495 520028691 /nfs/dbraw/zinc/02/86/91/520028691.db2.gz MWJSKKJOICTHSJ-MAUKXSAKSA-N 1 0 358.394 2.756 20 5 FFBDRO O=C(NC1CC1)c1ccc(N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c([N+](=O)[O-])c1 ZINC000594604475 520051283 /nfs/dbraw/zinc/05/12/83/520051283.db2.gz ZORZQZBNOXUCOE-WBVHZDCISA-N 1 0 358.442 2.916 20 5 FFBDRO O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCCN(c2cc[nH+]cc2)CC1 ZINC000603081853 520068496 /nfs/dbraw/zinc/06/84/96/520068496.db2.gz DNMSSEIMTXCLRP-UHFFFAOYSA-N 1 0 365.393 2.824 20 5 FFBDRO O=C(NCC12CCC[NH+]1CCC2)c1ccc([N+](=O)[O-])cc1Br ZINC000597586337 520120880 /nfs/dbraw/zinc/12/08/80/520120880.db2.gz AKFOVZQDWYKFEX-UHFFFAOYSA-N 1 0 368.231 2.716 20 5 FFBDRO CC[C@H]1C[N@H+](C)CCCN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000597606088 520131927 /nfs/dbraw/zinc/13/19/27/520131927.db2.gz ULSLRAGZARHXKS-NSHDSACASA-N 1 0 370.247 2.914 20 5 FFBDRO CN1C[C@@H]([NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC1=O ZINC000608861029 520146645 /nfs/dbraw/zinc/14/66/45/520146645.db2.gz KNYALDOTPIRRIA-AWEZNQCLSA-N 1 0 359.357 2.847 20 5 FFBDRO C[NH+]1CCC2(CCN(C(=O)c3ccc(OC(F)F)c([N+](=O)[O-])c3)C2)CC1 ZINC000597667043 520166290 /nfs/dbraw/zinc/16/62/90/520166290.db2.gz OQHLLQVBCHWUGL-UHFFFAOYSA-N 1 0 369.368 2.754 20 5 FFBDRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000608964755 520168564 /nfs/dbraw/zinc/16/85/64/520168564.db2.gz XNOVYQFMUCYMOD-UHFFFAOYSA-N 1 0 356.426 2.907 20 5 FFBDRO Cc1ccc(C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC2CC2)cn1 ZINC000592145812 520224296 /nfs/dbraw/zinc/22/42/96/520224296.db2.gz CAICIYLPTXNIPJ-SFHVURJKSA-N 1 0 371.437 2.950 20 5 FFBDRO O=C(CC[NH2+][C@@H](CCO)c1ccccc1F)Nc1ccccc1[N+](=O)[O-] ZINC000592162373 520236164 /nfs/dbraw/zinc/23/61/64/520236164.db2.gz YTYMTAVJRSQPNJ-HNNXBMFYSA-N 1 0 361.373 2.776 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCCO[C@H](c3ccccc3)C2)c1 ZINC000609233549 520240125 /nfs/dbraw/zinc/24/01/25/520240125.db2.gz GJBNUVJJLIMQHN-QUCCMNQESA-N 1 0 372.421 2.798 20 5 FFBDRO Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)cn1 ZINC000594980809 520241955 /nfs/dbraw/zinc/24/19/55/520241955.db2.gz SPMHYOQFFDBBOR-KSSFIOAISA-N 1 0 372.425 2.696 20 5 FFBDRO CC1([NH+]2CCOCC2)CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000600408968 520242347 /nfs/dbraw/zinc/24/23/47/520242347.db2.gz FKIMUBOOUBDUAY-UHFFFAOYSA-N 1 0 367.833 2.575 20 5 FFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2C[C@@H](N3CCOCC3)C23CCC3)c(Cl)c1 ZINC000594988669 520244544 /nfs/dbraw/zinc/24/45/44/520244544.db2.gz ATAACDSGVIKNBM-IAGOWNOFSA-N 1 0 365.861 2.981 20 5 FFBDRO C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNCc2ccc([N+](=O)[O-])cc2F)C1 ZINC000594994280 520247079 /nfs/dbraw/zinc/24/70/79/520247079.db2.gz JLXHTPQNWIHIFJ-IBGZPJMESA-N 1 0 372.444 2.640 20 5 FFBDRO O=[N+]([O-])c1ccc(OC(F)F)c(CNC2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000594994387 520247224 /nfs/dbraw/zinc/24/72/24/520247224.db2.gz UMPXEEXPMVLGKM-HNNXBMFYSA-N 1 0 371.384 2.539 20 5 FFBDRO COc1cc(C[NH2+]C[C@H](O)[C@H](C)c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000595000864 520251312 /nfs/dbraw/zinc/25/13/12/520251312.db2.gz ODXMOMVTVMLSHC-DYVFJYSZSA-N 1 0 360.410 2.866 20 5 FFBDRO Cc1nn(CCC(=O)N(C)CCCC[NH+]2CCCCC2)c(C)c1[N+](=O)[O-] ZINC000603407538 520252184 /nfs/dbraw/zinc/25/21/84/520252184.db2.gz VFGRFMCDDJZYDB-UHFFFAOYSA-N 1 0 365.478 2.523 20 5 FFBDRO O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000600469863 520279486 /nfs/dbraw/zinc/27/94/86/520279486.db2.gz LSJMSAKYECIUPC-QGZVFWFLSA-N 1 0 359.426 2.691 20 5 FFBDRO O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000600474038 520281716 /nfs/dbraw/zinc/28/17/16/520281716.db2.gz WLUCLYWCQKLLRI-CQSZACIVSA-N 1 0 354.410 2.890 20 5 FFBDRO COc1ccc(N2C[C@H]([NH2+][C@@H]3CCc4c3cccc4[N+](=O)[O-])CC2=O)cc1 ZINC000595077981 520282890 /nfs/dbraw/zinc/28/28/90/520282890.db2.gz MHZNMWFPINFPJW-FZKQIMNGSA-N 1 0 367.405 2.986 20 5 FFBDRO NC(=O)c1csc(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])n1 ZINC000595080746 520284198 /nfs/dbraw/zinc/28/41/98/520284198.db2.gz AFTSHMURFKGQEA-WCQYABFASA-N 1 0 360.439 2.651 20 5 FFBDRO CC(C)[C@@H](CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[NH+]1CCC(C)CC1 ZINC000603612362 520328462 /nfs/dbraw/zinc/32/84/62/520328462.db2.gz TYAVLMKCPHFDSY-QGZVFWFLSA-N 1 0 373.457 2.957 20 5 FFBDRO CCOc1cc(C(=O)NC[C@@H]2CCCC[N@@H+]2CC)c([N+](=O)[O-])cc1OC ZINC000609489437 520330808 /nfs/dbraw/zinc/33/08/08/520330808.db2.gz MRFZJJSMUWFHIP-ZDUSSCGKSA-N 1 0 365.430 2.606 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595228736 520362628 /nfs/dbraw/zinc/36/26/28/520362628.db2.gz JVQJRFYLVKFOIJ-CQSZACIVSA-N 1 0 362.430 2.847 20 5 FFBDRO C[NH+](C)CCOc1cccc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)c1 ZINC000603810596 520362843 /nfs/dbraw/zinc/36/28/43/520362843.db2.gz SRUUGJNEDJPMKZ-UHFFFAOYSA-N 1 0 373.365 2.516 20 5 FFBDRO Cc1c(NC(=O)N2CC3CC2(C[NH3+])C3)cc(Br)cc1[N+](=O)[O-] ZINC000595231820 520363641 /nfs/dbraw/zinc/36/36/41/520363641.db2.gz AGDUMCMZISHXIV-UHFFFAOYSA-N 1 0 369.219 2.621 20 5 FFBDRO CC[NH+](CC)[C@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)CC(C)C ZINC000609583076 520365594 /nfs/dbraw/zinc/36/55/94/520365594.db2.gz ZXGGZRWWRYXEHW-ZDUSSCGKSA-N 1 0 365.430 2.810 20 5 FFBDRO C[C@@H](CCNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])[NH+](C)C ZINC000597995434 520366142 /nfs/dbraw/zinc/36/61/42/520366142.db2.gz GICAAKPJQQVXKN-JTQLQIEISA-N 1 0 363.336 2.606 20 5 FFBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CC3CC3)C2)nc1OCc1ccccc1 ZINC000613179953 520371040 /nfs/dbraw/zinc/37/10/40/520371040.db2.gz BXMLANCJUOXPTF-KRWDZBQOSA-N 1 0 368.437 2.887 20 5 FFBDRO COc1cc(C(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)ccc1[N+](=O)[O-] ZINC000595259165 520375930 /nfs/dbraw/zinc/37/59/30/520375930.db2.gz YKWLKJSLTJVMIY-QGZVFWFLSA-N 1 0 357.366 2.517 20 5 FFBDRO CN1CC[N@H+](CCCNc2cccnc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000603849986 520377189 /nfs/dbraw/zinc/37/71/89/520377189.db2.gz QBMIFMBGXABQEE-GOSISDBHSA-N 1 0 355.442 2.781 20 5 FFBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000595270736 520381754 /nfs/dbraw/zinc/38/17/54/520381754.db2.gz LNCSCHOIBSKUQU-QZTJIDSGSA-N 1 0 368.437 2.882 20 5 FFBDRO CCC1([NH+]2CCOCC2)CCN(C(=O)c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000600684374 520394736 /nfs/dbraw/zinc/39/47/36/520394736.db2.gz VOZBRBLIDVXODU-UHFFFAOYSA-N 1 0 361.442 2.620 20 5 FFBDRO CCC1([NH+]2CCOCC2)CCN(C(=O)c2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000600684944 520397294 /nfs/dbraw/zinc/39/72/94/520397294.db2.gz ZZZKAQWGRTYSSY-UHFFFAOYSA-N 1 0 361.442 2.620 20 5 FFBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000609730673 520416174 /nfs/dbraw/zinc/41/61/74/520416174.db2.gz GIPFGBBZIHKSFK-ZDUSSCGKSA-N 1 0 369.849 2.864 20 5 FFBDRO O=C(CC[NH2+]C[C@@H]1Cc2ccccc2CO1)Nc1ccccc1[N+](=O)[O-] ZINC000600748689 520445667 /nfs/dbraw/zinc/44/56/67/520445667.db2.gz UJHBQERDXGEMLM-INIZCTEOSA-N 1 0 355.394 2.655 20 5 FFBDRO Cc1ccc(C(C)(C)C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)nc1 ZINC000600753906 520449350 /nfs/dbraw/zinc/44/93/50/520449350.db2.gz KQSMQODHCYGKBJ-MRXNPFEDSA-N 1 0 359.426 2.605 20 5 FFBDRO CNC(=O)c1ccc(N2CCC[C@H]([NH+]3[C@@H](C)CC[C@@H]3C)C2)c([N+](=O)[O-])c1 ZINC000604303626 520510188 /nfs/dbraw/zinc/51/01/88/520510188.db2.gz XCADOIVKZFPPCA-DZKIICNBSA-N 1 0 360.458 2.796 20 5 FFBDRO C[C@@H]1CCC[C@](CNC(=O)CCOc2ccccc2[N+](=O)[O-])([NH+](C)C)C1 ZINC000604440012 520563973 /nfs/dbraw/zinc/56/39/73/520563973.db2.gz YGVKOMMBOWCAKH-BEFAXECRSA-N 1 0 363.458 2.990 20 5 FFBDRO CCC[N@@H+]1CC[C@H](NC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])C1 ZINC000598342482 520567249 /nfs/dbraw/zinc/56/72/49/520567249.db2.gz NTELWNLSLCPWCR-NSHDSACASA-N 1 0 353.444 2.539 20 5 FFBDRO CN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H](CO)Cc1ccccc1 ZINC000595599818 520582497 /nfs/dbraw/zinc/58/24/97/520582497.db2.gz ZMHVUMRXVFVKKX-KRWDZBQOSA-N 1 0 368.393 2.680 20 5 FFBDRO CCCN(C(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CC[N@H+](C)C1 ZINC000592833216 520608850 /nfs/dbraw/zinc/60/88/50/520608850.db2.gz WRSXGMPYCOWGCC-GXTWGEPZSA-N 1 0 369.849 2.958 20 5 FFBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000604573293 520609227 /nfs/dbraw/zinc/60/92/27/520609227.db2.gz DAPZLRPWKAIPTM-MRXNPFEDSA-N 1 0 373.409 2.668 20 5 FFBDRO CCC[N@H+](C)CC(C)(C)NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000598466579 520629726 /nfs/dbraw/zinc/62/97/26/520629726.db2.gz PZXLBQUTOFCMSO-UHFFFAOYSA-N 1 0 359.430 2.631 20 5 FFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000598543194 520691621 /nfs/dbraw/zinc/69/16/21/520691621.db2.gz SLQIPXBRSFSEAR-UHFFFAOYSA-N 1 0 361.442 2.845 20 5 FFBDRO O=C(NCC1CC[NH+](CC2CC2)CC1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000598544477 520692926 /nfs/dbraw/zinc/69/29/26/520692926.db2.gz XXAHGEUFQGMJKB-UHFFFAOYSA-N 1 0 356.426 2.928 20 5 FFBDRO C[NH+](C)CCN(C(=O)Cc1ccc(F)cc1[N+](=O)[O-])C1CCCCC1 ZINC000593038758 520700774 /nfs/dbraw/zinc/70/07/74/520700774.db2.gz KHWOTKYYXBUONX-UHFFFAOYSA-N 1 0 351.422 2.999 20 5 FFBDRO O=C(NC[C@H]1CCC[N@H+](CC2CC2)C1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000598561411 520707352 /nfs/dbraw/zinc/70/73/52/520707352.db2.gz QSHOKIYNWHPKGD-OAHLLOKOSA-N 1 0 368.437 2.995 20 5 FFBDRO CC(C)[C@@H]1CN(C(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])CC[NH2+]1 ZINC000598575675 520720158 /nfs/dbraw/zinc/72/01/58/520720158.db2.gz VRORNGKIOZUXOP-INIZCTEOSA-N 1 0 354.410 2.727 20 5 FFBDRO COc1cc(C[NH2+][C@@H]2C[C@@H](O)C23CCC3)c([N+](=O)[O-])cc1OCC(F)F ZINC000595781564 520720717 /nfs/dbraw/zinc/72/07/17/520720717.db2.gz MJVYTJMZUCCMSY-HUUCEWRRSA-N 1 0 372.368 2.640 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1CCC([C@H]2CCCCO2)CC1 ZINC000595785772 520723424 /nfs/dbraw/zinc/72/34/24/520723424.db2.gz ZHLKHVVUHMABQS-SJLPKXTDSA-N 1 0 364.442 2.616 20 5 FFBDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000595785920 520723960 /nfs/dbraw/zinc/72/39/60/520723960.db2.gz JZWPDJNLPNEJCU-INIZCTEOSA-N 1 0 362.474 2.899 20 5 FFBDRO CN(C(=O)C[N@@H+]1CCC[C@@H]([C@H]2CCCCO2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000595788322 520725447 /nfs/dbraw/zinc/72/54/47/520725447.db2.gz JCKGWSIWZNQEEC-CRAIPNDOSA-N 1 0 361.442 2.839 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000595790884 520728051 /nfs/dbraw/zinc/72/80/51/520728051.db2.gz ZJUCSCFRNMUJNU-LZLYRXPVSA-N 1 0 364.442 2.616 20 5 FFBDRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000601405136 520776290 /nfs/dbraw/zinc/77/62/90/520776290.db2.gz RVTNFEASWMVDGW-UHFFFAOYSA-N 1 0 358.373 2.775 20 5 FFBDRO COc1cc(C[N@@H+]2C[C@H](C)[C@@](C)(CO)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000595869489 520778797 /nfs/dbraw/zinc/77/87/97/520778797.db2.gz DLKDUKGQIDYTCR-APPDUMDISA-N 1 0 374.384 2.698 20 5 FFBDRO COc1cc(C[N@@H+]2CC[C@H](Nc3cccnc3[N+](=O)[O-])C2)cc(OC)c1 ZINC000610677925 520793882 /nfs/dbraw/zinc/79/38/82/520793882.db2.gz HYEALHORXLTWLO-AWEZNQCLSA-N 1 0 358.398 2.693 20 5 FFBDRO C[NH+](C)C1CC(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])C1 ZINC000598718141 520807569 /nfs/dbraw/zinc/80/75/69/520807569.db2.gz JZCMAAZMNPRUKJ-UHFFFAOYSA-N 1 0 369.421 2.996 20 5 FFBDRO [NH3+][C@@H]1CCc2ccccc2N(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000595903690 520809879 /nfs/dbraw/zinc/80/98/79/520809879.db2.gz ANJFZBOSURULHC-CYBMUJFWSA-N 1 0 374.828 2.967 20 5 FFBDRO [NH3+]C[C@@H]1CCc2ccccc2N1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000595903560 520810019 /nfs/dbraw/zinc/81/00/19/520810019.db2.gz YIEINHPZGKAXEL-INIZCTEOSA-N 1 0 365.393 2.925 20 5 FFBDRO O=C(NCC12CC(C1)C[NH2+]2)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000595951796 520836510 /nfs/dbraw/zinc/83/65/10/520836510.db2.gz ROZVKRJBOYTUEG-UHFFFAOYSA-N 1 0 352.394 2.820 20 5 FFBDRO Cc1c(NC(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)cc(Br)cc1[N+](=O)[O-] ZINC000601560979 520842157 /nfs/dbraw/zinc/84/21/57/520842157.db2.gz VGXKCSYCMJSYRN-PHIMTYICSA-N 1 0 369.219 2.634 20 5 FFBDRO CC(C)[C@H](O)[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000596065716 520890616 /nfs/dbraw/zinc/89/06/16/520890616.db2.gz KVGJZYRPBWMKDO-SXLOBPIMSA-N 1 0 374.437 2.682 20 5 FFBDRO CO[C@H](C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000596065726 520890859 /nfs/dbraw/zinc/89/08/59/520890859.db2.gz JTOUNTOMKOEWRV-FUHWJXTLSA-N 1 0 352.431 2.519 20 5 FFBDRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(c2c(Cl)cncc2[N+](=O)[O-])CC1 ZINC000596097248 520909286 /nfs/dbraw/zinc/90/92/86/520909286.db2.gz DDAPGJJWZOTWPT-ZIAGYGMSSA-N 1 0 367.881 2.638 20 5 FFBDRO [NH3+]CCCOC1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000598913221 520914273 /nfs/dbraw/zinc/91/42/73/520914273.db2.gz FMPBKAILAUHLJX-UHFFFAOYSA-N 1 0 356.810 2.610 20 5 FFBDRO CC(C)c1n[nH]c(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000610951110 520918449 /nfs/dbraw/zinc/91/84/49/520918449.db2.gz GZESEVVKGXVFRX-JSGCOSHPSA-N 1 0 361.446 2.530 20 5 FFBDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596127023 520928773 /nfs/dbraw/zinc/92/87/73/520928773.db2.gz SOULVUBANZLBNL-LSDHHAIUSA-N 1 0 360.458 2.785 20 5 FFBDRO C[N@H+](CCC(=O)N[C@@](C)(CO)c1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000601779307 520946985 /nfs/dbraw/zinc/94/69/85/520946985.db2.gz PHLNBCOHEFMWIU-IBGZPJMESA-N 1 0 363.458 2.573 20 5 FFBDRO CCC1([NH+](C)C)CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CC1 ZINC000601791161 520954042 /nfs/dbraw/zinc/95/40/42/520954042.db2.gz HSZKWBKYQZZAOC-UHFFFAOYSA-N 1 0 371.441 2.727 20 5 FFBDRO CC[N@@H+]1CCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC000611088168 520978756 /nfs/dbraw/zinc/97/87/56/520978756.db2.gz HRTUPZMLRUAEAT-LBPRGKRZSA-N 1 0 355.822 2.570 20 5 FFBDRO CC[N@@H+]1CCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000611092117 520981551 /nfs/dbraw/zinc/98/15/51/520981551.db2.gz JDHZPBLESAPXLX-NEPJUHHUSA-N 1 0 354.838 2.601 20 5 FFBDRO CN1CCC([N@@H+]2CC[C@H](Nc3ccc4cnccc4c3[N+](=O)[O-])C2)CC1 ZINC000599045003 520998205 /nfs/dbraw/zinc/99/82/05/520998205.db2.gz XHJWJJDOWPWYQD-HNNXBMFYSA-N 1 0 355.442 2.723 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@@H]2CCCN2CC(F)F)n1 ZINC000599065349 521011182 /nfs/dbraw/zinc/01/11/82/521011182.db2.gz KIZITTDUJSPJRE-MELADBBJSA-N 1 0 357.405 2.594 20 5 FFBDRO COc1cc(N2CCC[C@@H]([NH+]3CCOCC3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596295234 521013550 /nfs/dbraw/zinc/01/35/50/521013550.db2.gz RJGXGMMNRVVHOW-CYBMUJFWSA-N 1 0 369.849 2.948 20 5 FFBDRO C[NH+](C)[C@@H]1[C@H]2CN(c3ccc(C(=O)c4ccccc4)cc3[N+](=O)[O-])C[C@H]21 ZINC000599083087 521020643 /nfs/dbraw/zinc/02/06/43/521020643.db2.gz HFOIWJHEMPJODH-MNZLEMJZSA-N 1 0 351.406 2.822 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNc1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000596309862 521020782 /nfs/dbraw/zinc/02/07/82/521020782.db2.gz YSDHJNLWDCRFCV-MRXNPFEDSA-N 1 0 362.474 2.712 20 5 FFBDRO COC(=O)c1nn(Cc2cccc(C[NH+]3CCCCC3)c2)cc1[N+](=O)[O-] ZINC000601917877 521024046 /nfs/dbraw/zinc/02/40/46/521024046.db2.gz MPIOTGOGOLWNTE-UHFFFAOYSA-N 1 0 358.398 2.612 20 5 FFBDRO O=C(Nc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccc(F)cc1[N+](=O)[O-] ZINC000611197479 521033205 /nfs/dbraw/zinc/03/32/05/521033205.db2.gz HJORGXUZHSUGRV-UHFFFAOYSA-N 1 0 373.384 2.943 20 5 FFBDRO Cc1cc(S(=O)(=O)N2CCCc3cccc(C[NH3+])c32)ccc1[N+](=O)[O-] ZINC000599102698 521033257 /nfs/dbraw/zinc/03/32/57/521033257.db2.gz PHYJFUMUSRLYBJ-UHFFFAOYSA-N 1 0 361.423 2.503 20 5 FFBDRO O=C(NC1CC1)c1ccc(NC[C@@H]2CC[N@@H+]2C2CCCC2)c([N+](=O)[O-])c1 ZINC000599165779 521065877 /nfs/dbraw/zinc/06/58/77/521065877.db2.gz SLAOALGYGAJYJY-INIZCTEOSA-N 1 0 358.442 2.916 20 5 FFBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000618467814 521082413 /nfs/dbraw/zinc/08/24/13/521082413.db2.gz FJLLPQRCCGEPTO-CQSZACIVSA-N 1 0 367.833 2.540 20 5 FFBDRO CC(C)C[N@H+](C)CCCNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000593617259 521109172 /nfs/dbraw/zinc/10/91/72/521109172.db2.gz YTXUUZBTKCNMKT-UHFFFAOYSA-N 1 0 363.867 2.504 20 5 FFBDRO C[NH+](C)CCC[C@@H]1CN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)CCO1 ZINC000596565937 521133546 /nfs/dbraw/zinc/13/35/46/521133546.db2.gz IKJFHSXUXVIMAZ-GFCCVEGCSA-N 1 0 362.352 2.556 20 5 FFBDRO COc1cc(N2CCO[C@@H](CCC[NH+](C)C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596566962 521135628 /nfs/dbraw/zinc/13/56/28/521135628.db2.gz NYKCADOBQDNCIM-LBPRGKRZSA-N 1 0 357.838 2.804 20 5 FFBDRO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000596570825 521138150 /nfs/dbraw/zinc/13/81/50/521138150.db2.gz OIZLVMCKFMWJBD-AWEZNQCLSA-N 1 0 367.471 2.532 20 5 FFBDRO CCN(C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H]1CC[N@H+](C)C1 ZINC000596585185 521146787 /nfs/dbraw/zinc/14/67/87/521146787.db2.gz DYVLRRKUAOCENE-ZDUSSCGKSA-N 1 0 374.363 2.849 20 5 FFBDRO Cc1cc(N2CC[NH+](C[C@@H]3CCCO3)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000611444581 521161893 /nfs/dbraw/zinc/16/18/93/521161893.db2.gz GYAHBNYWOFSGBW-HNNXBMFYSA-N 1 0 356.426 2.752 20 5 FFBDRO CCc1n[nH]c(C(=O)NCCC[N@@H+](CC)C2CCCCC2)c1[N+](=O)[O-] ZINC000593786689 521211919 /nfs/dbraw/zinc/21/19/19/521211919.db2.gz LXGDNWMJOFGANI-UHFFFAOYSA-N 1 0 351.451 2.655 20 5 FFBDRO COc1cc(N2C[C@@H](SC)[C@@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])cc1F ZINC000614977758 521218692 /nfs/dbraw/zinc/21/86/92/521218692.db2.gz IQMSWEUZMQEYFI-GOEBONIOSA-N 1 0 355.435 2.759 20 5 FFBDRO COC(=O)[C@H]1CCCCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000611574646 521228802 /nfs/dbraw/zinc/22/88/02/521228802.db2.gz GVYSAODWDLDPQI-MRXNPFEDSA-N 1 0 363.414 2.649 20 5 FFBDRO O=C(Nc1ccc(SCC[NH+]2CCCC2)cc1)c1n[nH]cc1[N+](=O)[O-] ZINC000593837401 521239725 /nfs/dbraw/zinc/23/97/25/521239725.db2.gz JOZIFFVXUAMTAJ-UHFFFAOYSA-N 1 0 361.427 2.758 20 5 FFBDRO C[C@H](NC(=O)c1c(Br)cccc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000599480900 521249427 /nfs/dbraw/zinc/24/94/27/521249427.db2.gz QGFPFFLKDPAOCT-JTQLQIEISA-N 1 0 370.247 2.817 20 5 FFBDRO O=C(NCCC1CC[NH2+]CC1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000593918182 521289891 /nfs/dbraw/zinc/28/98/91/521289891.db2.gz BSKLOYBQCIAYBQ-UHFFFAOYSA-N 1 0 360.439 2.838 20 5 FFBDRO Cc1ccc([C@@H](CNc2ncnc3ccc([N+](=O)[O-])cc32)[NH+](C)C)cc1 ZINC000611707024 521290575 /nfs/dbraw/zinc/29/05/75/521290575.db2.gz CYIIVKFURNOFBO-GOSISDBHSA-N 1 0 351.410 2.983 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000599584553 521312593 /nfs/dbraw/zinc/31/25/93/521312593.db2.gz ANBBSOMOSIQAFA-INIZCTEOSA-N 1 0 362.430 2.526 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000596836388 521321006 /nfs/dbraw/zinc/32/10/06/521321006.db2.gz IOTPNYSLVBZUIR-HNNXBMFYSA-N 1 0 362.430 2.586 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000599603470 521326061 /nfs/dbraw/zinc/32/60/61/521326061.db2.gz HPJYMKJWRHZBED-JQWIXIFHSA-N 1 0 360.336 2.894 20 5 FFBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[N@H+](C)C2(CCCCC2)C1 ZINC000593997928 521338897 /nfs/dbraw/zinc/33/88/97/521338897.db2.gz DRMUXMCLSVSJCI-HNNXBMFYSA-N 1 0 360.458 2.872 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000596867962 521342120 /nfs/dbraw/zinc/34/21/20/521342120.db2.gz UPVIVAPRHVZGED-HNNXBMFYSA-N 1 0 362.430 2.586 20 5 FFBDRO C[C@H]1C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC2(CCCCC2)O1 ZINC000594057196 521378750 /nfs/dbraw/zinc/37/87/50/521378750.db2.gz ASZAZVITQIHWDQ-JKSUJKDBSA-N 1 0 364.442 2.758 20 5 FFBDRO C[NH+](C)C[C@@H](Cc1ccccc1)NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602517416 521391772 /nfs/dbraw/zinc/39/17/72/521391772.db2.gz BHCAUDWNTPMPFU-OAHLLOKOSA-N 1 0 354.410 2.999 20 5 FFBDRO Cc1cc(N2CCO[C@@H](C(=O)OC(C)(C)C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000611928158 521398224 /nfs/dbraw/zinc/39/82/24/521398224.db2.gz MZVUPDZNRUFCBK-QGZVFWFLSA-N 1 0 373.409 2.998 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000602541836 521401800 /nfs/dbraw/zinc/40/18/00/521401800.db2.gz RCSNQEJLLGRFLX-YPMHNXCESA-N 1 0 359.348 2.811 20 5 FFBDRO CCO[C@@H]1C[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C12CCC2 ZINC000602548712 521406034 /nfs/dbraw/zinc/40/60/34/521406034.db2.gz VTORSXGFIFKKQD-DLBZAZTESA-N 1 0 360.458 2.896 20 5 FFBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)cc1 ZINC000602587416 521425305 /nfs/dbraw/zinc/42/53/05/521425305.db2.gz GOROQEAUMSMEQJ-JSGCOSHPSA-N 1 0 369.377 2.582 20 5 FFBDRO O=[N+]([O-])c1sc(C[NH2+]CCN2CCSCC2)cc1Br ZINC000602593603 521429430 /nfs/dbraw/zinc/42/94/30/521429430.db2.gz LBBMQGIPZZECTI-UHFFFAOYSA-N 1 0 366.306 2.557 20 5 FFBDRO C[C@@H](NC(=O)c1c(Br)cccc1[N+](=O)[O-])C1=CC[N@H+](C)CC1 ZINC000599750396 521446556 /nfs/dbraw/zinc/44/65/56/521446556.db2.gz VNYFRNHNJRYXHW-SNVBAGLBSA-N 1 0 368.231 2.738 20 5 FFBDRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000594198714 521464374 /nfs/dbraw/zinc/46/43/74/521464374.db2.gz VFPGQRSUYZPBKF-HOCLYGCPSA-N 1 0 369.425 2.527 20 5 FFBDRO C[NH+](C)CCN(Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1ccccn1 ZINC000602656715 521464341 /nfs/dbraw/zinc/46/43/41/521464341.db2.gz LLDUSLGHTQYPOC-UHFFFAOYSA-N 1 0 355.398 2.695 20 5 FFBDRO CO[C@@H]1COCC[C@@H]1C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602674975 521475415 /nfs/dbraw/zinc/47/54/15/521475415.db2.gz IUQFYVCQJKVCIA-LDYMZIIASA-N 1 0 365.249 2.560 20 5 FFBDRO C[C@@H]1CC[C@H](C(F)(F)F)C[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000612121694 521494391 /nfs/dbraw/zinc/49/43/91/521494391.db2.gz LHDBLEULJFWQIL-AGIUHOORSA-N 1 0 362.348 2.997 20 5 FFBDRO CC(C)[N@@H+]1CCCN(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)CC1 ZINC000597091709 521497260 /nfs/dbraw/zinc/49/72/60/521497260.db2.gz CKYFVTVSHYEYGQ-UHFFFAOYSA-N 1 0 355.826 2.778 20 5 FFBDRO CCN(C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N)[C@@H]1CC[N@H+](CC)C1 ZINC000597092072 521498485 /nfs/dbraw/zinc/49/84/85/521498485.db2.gz JMLBJKNAVDKJDU-LLVKDONJSA-N 1 0 355.826 2.778 20 5 FFBDRO CC(C)[NH+]1CCC(NC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)CC1 ZINC000597095191 521501081 /nfs/dbraw/zinc/50/10/81/521501081.db2.gz ZVWGZWWVGNOLMU-UHFFFAOYSA-N 1 0 355.826 2.825 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H]1c1cccc2c1OCCO2 ZINC000602772879 521524936 /nfs/dbraw/zinc/52/49/36/521524936.db2.gz MKSLLGNAZHWEAW-HNNXBMFYSA-N 1 0 358.398 2.708 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000602772880 521526280 /nfs/dbraw/zinc/52/62/80/521526280.db2.gz MKSLLGNAZHWEAW-OAHLLOKOSA-N 1 0 358.398 2.708 20 5 FFBDRO O=C(N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1ccc([N+](=O)[O-])[nH]1 ZINC000612285762 521560837 /nfs/dbraw/zinc/56/08/37/521560837.db2.gz DKJIIUWXJVTFSL-IXDOHACOSA-N 1 0 368.437 2.953 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H]1c2ccccc2CC12CCOCC2 ZINC000602836734 521562830 /nfs/dbraw/zinc/56/28/30/521562830.db2.gz HGTPUKSYRQXILC-SFHVURJKSA-N 1 0 356.426 2.784 20 5 FFBDRO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CS1(=O)=O ZINC000597209275 521576444 /nfs/dbraw/zinc/57/64/44/521576444.db2.gz QARDEIRIBKLOSA-YQFWSFKMSA-N 1 0 366.483 2.861 20 5 FFBDRO CC(C)[C@@H](C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccnn1C ZINC000615943124 521584082 /nfs/dbraw/zinc/58/40/82/521584082.db2.gz BRBXHFQLSPBXEB-CQSZACIVSA-N 1 0 360.414 2.629 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCN(c3cc[nH+]c4c(O)cccc34)CC2)cn1 ZINC000619475809 521587666 /nfs/dbraw/zinc/58/76/66/521587666.db2.gz SFZPAKGELAXORV-UHFFFAOYSA-N 1 0 351.366 2.570 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+]C[C@H]2Cc3ccccc32)cc1[N+](=O)[O-] ZINC000616089216 521619125 /nfs/dbraw/zinc/61/91/25/521619125.db2.gz AIYIAVJBFZSOCH-OAHLLOKOSA-N 1 0 356.378 2.576 20 5 FFBDRO C[NH+]1CCN(c2ccc(NC(=O)Cc3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC000104783869 536423249 /nfs/dbraw/zinc/42/32/49/536423249.db2.gz LXPCLIDUXZCULX-UHFFFAOYSA-N 1 0 354.410 2.528 20 5 FFBDRO O=C(CSc1ccccc1[N+](=O)[O-])Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000505804835 561681371 /nfs/dbraw/zinc/68/13/71/561681371.db2.gz HBVZJAZNTFJGQX-UHFFFAOYSA-N 1 0 355.379 2.906 20 5 FFBDRO C[C@H]1C[NH+](C(C)(C)CNc2ncnc3cccc([N+](=O)[O-])c32)C[C@H](C)O1 ZINC000509057928 561783059 /nfs/dbraw/zinc/78/30/59/561783059.db2.gz QVMBDACKHACRCG-STQMWFEESA-N 1 0 359.430 2.838 20 5 FFBDRO O=[N+]([O-])c1ccccc1C=CC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC000738369750 598315676 /nfs/dbraw/zinc/31/56/76/598315676.db2.gz NRXXHYATBQHYEF-HWKANZROSA-N 1 0 354.345 2.717 20 5 FFBDRO COc1ccc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)cc1-c1nn[nH]n1 ZINC000821798583 606205645 /nfs/dbraw/zinc/20/56/45/606205645.db2.gz GILZARZTNKKPFG-UHFFFAOYSA-N 1 0 368.397 2.808 20 5 FFBDRO C[NH+](C)[C@@H](CNc1ccc(-c2nn[nH]n2)c([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000821581362 606644857 /nfs/dbraw/zinc/64/48/57/606644857.db2.gz JJALKPHSAORXTA-INIZCTEOSA-N 1 0 371.376 2.629 20 5 FFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC000820254622 607000115 /nfs/dbraw/zinc/00/01/15/607000115.db2.gz SEJCZEAXRYLUGR-CYBMUJFWSA-N 1 0 352.398 2.886 20 5 FFBDRO C[N@@H+]1CC[C@@H](Nc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000826028464 607967891 /nfs/dbraw/zinc/96/78/91/607967891.db2.gz APOUIAIRWJQIHV-WBVHZDCISA-N 1 0 365.397 2.632 20 5 FFBDRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC001164728759 720519872 /nfs/dbraw/zinc/51/98/72/720519872.db2.gz LCEAQZITFGOUMO-CQSZACIVSA-N 1 0 366.425 2.538 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001165045960 721966043 /nfs/dbraw/zinc/96/60/43/721966043.db2.gz FHSFIQCBELKTOM-AWEZNQCLSA-N 1 0 362.430 2.621 20 5 FFBDRO CCC[C@H]1CN(c2ccc([N+](=O)[O-])cc2COC)CC[N@@H+]1CCOC ZINC000162458337 728945328 /nfs/dbraw/zinc/94/53/28/728945328.db2.gz MOBZJVNHXVWTOD-KRWDZBQOSA-N 1 0 351.447 2.678 20 5 FFBDRO CC[C@H](C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+](CC)CC ZINC000745096084 735398794 /nfs/dbraw/zinc/39/87/94/735398794.db2.gz UCBKEEDBGYYLRA-IUODEOHRSA-N 1 0 351.403 2.585 20 5 FFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCc3ncc(Br)n3C2)cc1 ZINC000898727508 735401106 /nfs/dbraw/zinc/40/11/06/735401106.db2.gz YCOYDPFWXJTGMD-LLVKDONJSA-N 1 0 351.204 2.658 20 5 FFBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000070690552 728204428 /nfs/dbraw/zinc/20/44/28/728204428.db2.gz QFWHKNUIRNFVHV-HNNXBMFYSA-N 1 0 362.455 2.755 20 5 FFBDRO C[C@H](NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000125415689 728683178 /nfs/dbraw/zinc/68/31/78/728683178.db2.gz VUDQZYBBDDYNEE-JTQLQIEISA-N 1 0 363.867 2.503 20 5 FFBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC([NH+](C)C)CC1 ZINC000127958696 728707782 /nfs/dbraw/zinc/70/77/82/728707782.db2.gz YGISPQKGYNAKAN-LLVKDONJSA-N 1 0 354.838 2.601 20 5 FFBDRO CCC[NH+]1CCN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000179421037 729185764 /nfs/dbraw/zinc/18/57/64/729185764.db2.gz JJHYIIXBELBBPG-UHFFFAOYSA-N 1 0 371.235 2.917 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000245423785 729569605 /nfs/dbraw/zinc/56/96/05/729569605.db2.gz JRAVLPFOIBHNAA-SWLSCSKDSA-N 1 0 368.865 2.849 20 5 FFBDRO CC[N@H+](C)Cc1cc(O[C@@H]2CCN(c3ncc([N+](=O)[O-])s3)C2)ccn1 ZINC000856533195 730345427 /nfs/dbraw/zinc/34/54/27/730345427.db2.gz APZAORRAZKCUSO-CQSZACIVSA-N 1 0 363.443 2.556 20 5 FFBDRO CC1([NH+]2CCOCC2)CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000859777199 730465782 /nfs/dbraw/zinc/46/57/82/730465782.db2.gz XEMLYUKBNDLXBV-UHFFFAOYSA-N 1 0 353.850 2.935 20 5 FFBDRO CO[C@H]1C[N@H+](C)[C@@](C)(COC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000861349843 730602832 /nfs/dbraw/zinc/60/28/32/730602832.db2.gz WDWIFXKPTKHWGM-RDTXWAMCSA-N 1 0 350.415 2.984 20 5 FFBDRO O=C(c1cccc([N+](=O)[O-])c1Cl)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000861523458 730619484 /nfs/dbraw/zinc/61/94/84/730619484.db2.gz RXCHQESRSXNVJY-ZDUSSCGKSA-N 1 0 367.833 2.575 20 5 FFBDRO CC(C)[N@H+](C)CCCNC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000864857668 730885451 /nfs/dbraw/zinc/88/54/51/730885451.db2.gz BVCCVOZWHULJTC-UHFFFAOYSA-N 1 0 372.263 2.746 20 5 FFBDRO Cn1cc(C(F)F)c(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000866565996 731074556 /nfs/dbraw/zinc/07/45/56/731074556.db2.gz WFHYQCRMMSFICY-WCQYABFASA-N 1 0 354.361 2.736 20 5 FFBDRO COCCN(CC1CC[NH+](C)CC1)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000869770000 731437924 /nfs/dbraw/zinc/43/79/24/731437924.db2.gz HCCGSFVAPUZAQF-UHFFFAOYSA-N 1 0 369.849 2.679 20 5 FFBDRO C[C@H]([NH2+]C[C@@]1(N2CCOCC2)CCSC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872028108 731722111 /nfs/dbraw/zinc/72/21/11/731722111.db2.gz PFQINWDTSPBYNN-GUYCJALGSA-N 1 0 369.462 2.592 20 5 FFBDRO C[C@H](NC1CC[NH+](C[C@H]2CCOC2)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872037252 731722959 /nfs/dbraw/zinc/72/29/59/731722959.db2.gz CRJNCTXNEGFRER-UONOGXRCSA-N 1 0 351.422 2.885 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@H](CO)c2ccc(Cl)cc2)c1 ZINC000872246965 731745718 /nfs/dbraw/zinc/74/57/18/731745718.db2.gz IBZIOMSDVIMKBQ-RHSMWYFYSA-N 1 0 350.802 2.647 20 5 FFBDRO CC1([NH+]2CCCCC2)CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000872530488 731786997 /nfs/dbraw/zinc/78/69/97/731786997.db2.gz DHKXPIKLPFAWDN-UHFFFAOYSA-N 1 0 367.471 2.624 20 5 FFBDRO C[C@@](O)(C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)c1ccccc1Cl ZINC000877374268 732355118 /nfs/dbraw/zinc/35/51/18/732355118.db2.gz CYJYCPOVQTWREP-ZEPSKSRBSA-N 1 0 350.806 2.646 20 5 FFBDRO O=C(N[C@@]12CCC[C@H]1[NH2+]CC2)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000877393090 732356685 /nfs/dbraw/zinc/35/66/85/732356685.db2.gz PCRNBCQZUJPUCZ-RHSMWYFYSA-N 1 0 358.423 2.733 20 5 FFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@H](O)c3cc(F)cc(Cl)c3)C2)c1 ZINC000877483647 732370986 /nfs/dbraw/zinc/37/09/86/732370986.db2.gz ZFIQZGFIEYBLBP-PIMMBPRGSA-N 1 0 354.769 2.611 20 5 FFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@@H](CCO)c3ccc(Cl)cc3)C2)c1 ZINC000877529357 732381212 /nfs/dbraw/zinc/38/12/12/732381212.db2.gz AMEUOSIGALBHHT-XUJLQICISA-N 1 0 350.806 2.862 20 5 FFBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879575731 732727387 /nfs/dbraw/zinc/72/73/87/732727387.db2.gz MYBKEAHCKURVSS-BFQNTYOBSA-N 1 0 366.849 2.601 20 5 FFBDRO CO[C@@]1(C(F)(F)F)CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000880304497 732883621 /nfs/dbraw/zinc/88/36/21/732883621.db2.gz PQGYLBVLOFXDTE-AWEZNQCLSA-N 1 0 361.320 2.577 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CCCN(c2cc[nH+]cc2)CC1 ZINC000880382800 732900011 /nfs/dbraw/zinc/90/00/11/732900011.db2.gz VERKJNVPBHLWEM-UHFFFAOYSA-N 1 0 360.801 2.996 20 5 FFBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCCSC[C@@H]1c1ccccc1 ZINC000880387985 732900418 /nfs/dbraw/zinc/90/04/18/732900418.db2.gz ODQKWUMNBKJTBG-QGZVFWFLSA-N 1 0 359.451 2.937 20 5 FFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000926945715 738671160 /nfs/dbraw/zinc/67/11/60/738671160.db2.gz LYRKQXZGRPHQDO-HOSILWTGSA-N 1 0 352.456 2.859 20 5 FFBDRO C[C@@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CCN1c1cc[nH+]cc1 ZINC000881635912 733077350 /nfs/dbraw/zinc/07/73/50/733077350.db2.gz ORGNCTIOGKMKCE-GFCCVEGCSA-N 1 0 360.801 2.994 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H]1CCC2(CCOCC2)O1 ZINC000927022251 738682329 /nfs/dbraw/zinc/68/23/29/738682329.db2.gz YTMKGOPIYMCCHX-HIFRSBDPSA-N 1 0 350.415 2.982 20 5 FFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1CCN1C1CCOCC1 ZINC000927103447 738690846 /nfs/dbraw/zinc/69/08/46/738690846.db2.gz QRZAVOXUSHNYED-GUYCJALGSA-N 1 0 351.422 2.508 20 5 FFBDRO C[C@@H]1C[N@H+](Cc2cccnc2[N+](=O)[O-])C[C@H]1CNC(=O)OC(C)(C)C ZINC000886305278 733771995 /nfs/dbraw/zinc/77/19/95/733771995.db2.gz CKHREVZUUCMPRA-TZMCWYRMSA-N 1 0 350.419 2.582 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1CC[C@@]2(CO[C@H](C)C2)O1 ZINC000886333290 733774941 /nfs/dbraw/zinc/77/49/41/733774941.db2.gz GEJGBQZSCJYHOY-RPVQJOFSSA-N 1 0 350.415 2.810 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2nc(-c3cn(C[C@@H]4CCC[NH2+]4)nn3)cs2)cc1 ZINC000887403887 733922784 /nfs/dbraw/zinc/92/27/84/733922784.db2.gz LWFNSFHGBAOIAU-LBPRGKRZSA-N 1 0 356.411 2.729 20 5 FFBDRO CCOc1cc(NC(=O)NCC2CC[NH+](CC)CC2)ccc1[N+](=O)[O-] ZINC000888834758 734103759 /nfs/dbraw/zinc/10/37/59/734103759.db2.gz PYPHWAJTLKERQJ-UHFFFAOYSA-N 1 0 350.419 2.847 20 5 FFBDRO O=C(N1CCC([NH2+]C2CCC2)CC1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000889829296 734231809 /nfs/dbraw/zinc/23/18/09/734231809.db2.gz MSZMUSLFWIKOJW-UHFFFAOYSA-N 1 0 353.369 2.820 20 5 FFBDRO C[C@]1(Br)C[C@H]1C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000892078502 734512479 /nfs/dbraw/zinc/51/24/79/734512479.db2.gz NNZPRCFSJWHBIQ-WDMOLILDSA-N 1 0 355.236 2.650 20 5 FFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCCC[C@H]2N2CCOCC2)cc1Cl ZINC000783651275 738822682 /nfs/dbraw/zinc/82/26/82/738822682.db2.gz PRGDMKFMVILIQY-DOTOQJQBSA-N 1 0 353.850 2.981 20 5 FFBDRO CC(C)[NH2+][C@H]1CCCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000731032981 734663412 /nfs/dbraw/zinc/66/34/12/734663412.db2.gz RHMPQZKDAHHRTJ-ZDUSSCGKSA-N 1 0 354.838 2.649 20 5 FFBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@@H](O)COCc2ccccc2)c1 ZINC000731450567 734679460 /nfs/dbraw/zinc/67/94/60/734679460.db2.gz LJPKINLTBNWDEX-MRXNPFEDSA-N 1 0 350.802 2.916 20 5 FFBDRO Cn1nccc1[C@H]1C[C@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000894745064 734909207 /nfs/dbraw/zinc/90/92/07/734909207.db2.gz JCZIZVJYKGIPOG-CZUORRHYSA-N 1 0 350.806 2.992 20 5 FFBDRO O=[N+]([O-])c1ccc(Cl)c(CN2CCC[N@H+](C[C@H]3CCCO3)CC2)c1 ZINC000735562390 734950854 /nfs/dbraw/zinc/95/08/54/734950854.db2.gz KAXXXJXZPNQELV-MRXNPFEDSA-N 1 0 353.850 2.935 20 5 FFBDRO COC(=O)c1cc(CNCc2ccc(Cl)cc2[N+](=O)[O-])n(C)c1C ZINC000896019322 735089253 /nfs/dbraw/zinc/08/92/53/735089253.db2.gz PPTCUUZVYVLTKU-UHFFFAOYSA-N 1 0 351.790 2.972 20 5 FFBDRO COc1cc(C(=O)OCC[C@H]2CCCC[N@@H+]2C)c([N+](=O)[O-])cc1OC ZINC000752449329 735987162 /nfs/dbraw/zinc/98/71/62/735987162.db2.gz WJAXBYXMHRHCJZ-GFCCVEGCSA-N 1 0 352.387 2.643 20 5 FFBDRO COc1cc([C@@H](C)[NH2+]C[C@H]2CC3(CO2)CCOCC3)cc([N+](=O)[O-])c1 ZINC000903212136 736055738 /nfs/dbraw/zinc/05/57/38/736055738.db2.gz KILYREXCCFVDPC-CXAGYDPISA-N 1 0 350.415 2.840 20 5 FFBDRO COc1cc([C@H](C)[NH2+]C[C@@H]2CCC3(CCOCC3)O2)cc([N+](=O)[O-])c1 ZINC000903226707 736060176 /nfs/dbraw/zinc/06/01/76/736060176.db2.gz MGOQTDBXWRNICK-BBRMVZONSA-N 1 0 350.415 2.982 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)cc1 ZINC000754250673 736140650 /nfs/dbraw/zinc/14/06/50/736140650.db2.gz LWLIZRJTHZRZJP-HNNXBMFYSA-N 1 0 364.785 2.843 20 5 FFBDRO C[NH+]1CCC(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CC1 ZINC000754996015 736224701 /nfs/dbraw/zinc/22/47/01/736224701.db2.gz MCVUKLRVDHMVGU-UHFFFAOYSA-N 1 0 374.210 2.568 20 5 FFBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000755026991 736227655 /nfs/dbraw/zinc/22/76/55/736227655.db2.gz ZKYNVJVPQMNLMD-SNVBAGLBSA-N 1 0 357.208 2.573 20 5 FFBDRO C[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000755026986 736227836 /nfs/dbraw/zinc/22/78/36/736227836.db2.gz ZKYNVJVPQMNLMD-JTQLQIEISA-N 1 0 357.208 2.573 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]C[C@H](O)C[C@@H](O)c1ccccc1 ZINC000905199875 736308811 /nfs/dbraw/zinc/30/88/11/736308811.db2.gz CERKEJGSHLXLRO-SJLPKXTDSA-N 1 0 364.829 2.865 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H]2CCSC3(CCC3)C2)c1 ZINC000905599846 736367030 /nfs/dbraw/zinc/36/70/30/736367030.db2.gz DMASGIAIRURDTL-DZGCQCFKSA-N 1 0 352.456 2.742 20 5 FFBDRO C[N@H+](CCNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)C1CCCC1 ZINC000756934079 736374277 /nfs/dbraw/zinc/37/42/77/736374277.db2.gz MXAQPOSMCQDLHN-UHFFFAOYSA-N 1 0 354.838 2.922 20 5 FFBDRO CC1(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCC2(CC1)OCCO2 ZINC000905655900 736377681 /nfs/dbraw/zinc/37/76/81/736377681.db2.gz JIZMLHGBTSFEQG-INIZCTEOSA-N 1 0 350.415 2.541 20 5 FFBDRO COc1cc(COC(=O)[C@@H](C(C)C)[NH+]2CCCC2)c([N+](=O)[O-])cc1F ZINC000766205882 737206999 /nfs/dbraw/zinc/20/69/99/737206999.db2.gz FVBXQXJPPFMWJV-MRXNPFEDSA-N 1 0 354.378 2.906 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC([NH+]2CCC2)CC1 ZINC000912879087 737352670 /nfs/dbraw/zinc/35/26/70/737352670.db2.gz NISDTEPNTLRACC-UHFFFAOYSA-N 1 0 368.231 2.668 20 5 FFBDRO O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912917930 737357525 /nfs/dbraw/zinc/35/75/25/737357525.db2.gz QMNRCJLAPDOGRS-CQSZACIVSA-N 1 0 358.423 2.639 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])c(N2C[C@H](SC)[C@@H]([NH+](C)C)C2)cc1Cl ZINC000774535644 737998441 /nfs/dbraw/zinc/99/84/41/737998441.db2.gz CIGSMOVLBRHYMH-KBPBESRZSA-N 1 0 373.862 2.517 20 5 FFBDRO COC(=O)[C@H](C)C[N@H+](Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21)C1CC1 ZINC000774628377 738006934 /nfs/dbraw/zinc/00/69/34/738006934.db2.gz UNDXNUXDJLHEJG-SNVBAGLBSA-N 1 0 366.805 2.829 20 5 FFBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 ZINC000774639559 738008146 /nfs/dbraw/zinc/00/81/46/738008146.db2.gz LVKWPAHTVXCFTA-BLLLJJGKSA-N 1 0 363.849 2.972 20 5 FFBDRO C[C@@H](CNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)[NH+]1CCC(C)CC1 ZINC000778250252 738366888 /nfs/dbraw/zinc/36/68/88/738366888.db2.gz XTLSAYHIOKFIGF-ZDUSSCGKSA-N 1 0 355.385 2.923 20 5 FFBDRO O=C(N1CCC[C@@H]1C[NH+]1CCCC1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778254188 738366955 /nfs/dbraw/zinc/36/69/55/738366955.db2.gz TZHYDHXHWCCQQO-OAHLLOKOSA-N 1 0 353.369 2.773 20 5 FFBDRO C[C@H]1[C@H]([NH+](C)C)CCN1Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000931038948 739202730 /nfs/dbraw/zinc/20/27/30/739202730.db2.gz OSLTZXHFBVHVKM-GXFFZTMASA-N 1 0 365.821 2.823 20 5 FFBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000931038947 739203007 /nfs/dbraw/zinc/20/30/07/739203007.db2.gz OSLTZXHFBVHVKM-GWCFXTLKSA-N 1 0 365.821 2.823 20 5 FFBDRO CC(C)[N@@H+]1CCCN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)CC1 ZINC000931793488 739330646 /nfs/dbraw/zinc/33/06/46/739330646.db2.gz CSJMUOYCJQACFM-UHFFFAOYSA-N 1 0 358.801 2.526 20 5 FFBDRO CCOc1cc(NC(=O)NC[C@H]2CCCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000931903934 739350258 /nfs/dbraw/zinc/35/02/58/739350258.db2.gz REIQOZLIHMMWOS-CYBMUJFWSA-N 1 0 350.419 2.847 20 5 FFBDRO Nc1c(C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cc(Cl)c(F)c1[N+](=O)[O-] ZINC000932272012 739419851 /nfs/dbraw/zinc/41/98/51/739419851.db2.gz AEBHDNCSBGXBSW-SNVBAGLBSA-N 1 0 370.812 2.670 20 5 FFBDRO Nc1c(C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cc(Cl)c(F)c1[N+](=O)[O-] ZINC000932272007 739419934 /nfs/dbraw/zinc/41/99/34/739419934.db2.gz AEBHDNCSBGXBSW-JTQLQIEISA-N 1 0 370.812 2.670 20 5 FFBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000933770250 739687624 /nfs/dbraw/zinc/68/76/24/739687624.db2.gz IVAQHIQZXVEQEU-CQSZACIVSA-N 1 0 351.422 2.857 20 5 FFBDRO CCOC(=O)C1([C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)CCOCC1 ZINC000933886076 739701477 /nfs/dbraw/zinc/70/14/77/739701477.db2.gz IVDGQXIETQOYAU-CQSZACIVSA-N 1 0 350.415 2.741 20 5 FFBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H](Cc3nccs3)C2)c2c(c1)COCO2 ZINC000934337637 739768967 /nfs/dbraw/zinc/76/89/67/739768967.db2.gz TZAWOVSGRMZQDQ-GFCCVEGCSA-N 1 0 361.423 2.982 20 5 FFBDRO O=C(CC[NH2+][C@H]1CCOC12CCCC2)Nc1cc([N+](=O)[O-])ccc1F ZINC000934386999 739779323 /nfs/dbraw/zinc/77/93/23/739779323.db2.gz VPRHQWAZPYLBPI-HNNXBMFYSA-N 1 0 351.378 2.754 20 5 FFBDRO O=C(C[NH2+][C@H]1CCOC12CCCC2)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000934389352 739779537 /nfs/dbraw/zinc/77/95/37/739779537.db2.gz DAFLSYWHGIWOJF-AWEZNQCLSA-N 1 0 353.806 2.878 20 5 FFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(CN=[S@@](C)(=O)N(C)C)CC1 ZINC000934749665 739831139 /nfs/dbraw/zinc/83/11/39/739831139.db2.gz HXDXVZVUGOYVGT-HWRSSNJWSA-N 1 0 368.503 2.942 20 5 FFBDRO C[C@H](NS(=O)(=O)c1csc([N+](=O)[O-])c1)[C@H](c1ccccc1)[NH+](C)C ZINC000795165718 739977894 /nfs/dbraw/zinc/97/78/94/739977894.db2.gz YZIWBDVUDOQDGC-XHDPSFHLSA-N 1 0 369.468 2.626 20 5 FFBDRO C[C@H]1CN(CN2Cc3cc(Br)c([N+](=O)[O-])cc3C2=O)C[C@H]1C ZINC000795436128 740021944 /nfs/dbraw/zinc/02/19/44/740021944.db2.gz VEUOARDMBDYSFR-AOOOYVTPSA-N 1 0 368.231 2.858 20 5 FFBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC000935941432 740035194 /nfs/dbraw/zinc/03/51/94/740035194.db2.gz SHKYWJDQSPFSIE-VHSXEESVSA-N 1 0 370.812 2.668 20 5 FFBDRO CC(C)(C)OC(=O)NC(C)(C)CN(CC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000809734231 741337897 /nfs/dbraw/zinc/33/78/97/741337897.db2.gz BMBNSEZKMQIGOY-UHFFFAOYSA-N 1 0 352.435 2.663 20 5 FFBDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3ccc([N+](=O)[O-])c(Cl)c3)[C@H]2C1 ZINC000809788361 741343819 /nfs/dbraw/zinc/34/38/19/741343819.db2.gz RGNSNXOCTAMCDA-DZKIICNBSA-N 1 0 351.834 2.985 20 5 FFBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)C[C@@H]2C1 ZINC000812339734 741611686 /nfs/dbraw/zinc/61/16/86/741611686.db2.gz AAZTZGQFOPQJLR-PWSUYJOCSA-N 1 0 357.332 2.637 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])c(N2CC[C@H](C[NH+]3CCCC3)C2)cc1Cl ZINC000814852576 741870112 /nfs/dbraw/zinc/87/01/12/741870112.db2.gz GETWTNFEVHXYQN-GFCCVEGCSA-N 1 0 367.833 2.957 20 5 FFBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000817292259 742118919 /nfs/dbraw/zinc/11/89/19/742118919.db2.gz SCQNKSBOEBBGRS-AAEUAGOBSA-N 1 0 354.838 2.601 20 5 FFBDRO Cc1cc(C(=O)Nc2nc(C3CC[NH2+]CC3)cs2)c(N)c([N+](=O)[O-])c1 ZINC000818006845 742228857 /nfs/dbraw/zinc/22/88/57/742228857.db2.gz NPJLIXWNCARLSY-UHFFFAOYSA-N 1 0 361.427 2.661 20 5 FFBDRO C[C@H](CCNC(=O)OC(C)(C)C)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819215319 742355178 /nfs/dbraw/zinc/35/51/78/742355178.db2.gz XTNYNKUSUCULFG-DOMZBBRYSA-N 1 0 353.419 2.521 20 5 FFBDRO CC[NH+](CC)C[C@H](C)NC(=O)c1cc(Cl)c([N+](=O)[O-])cc1NC(C)=O ZINC000823310396 742879330 /nfs/dbraw/zinc/87/93/30/742879330.db2.gz MEFINIYTSPDNRP-JTQLQIEISA-N 1 0 370.837 2.667 20 5 FFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([N@@H+](Cc2ccsc2)CC2CC2)CC1 ZINC001039485953 742992333 /nfs/dbraw/zinc/99/23/33/742992333.db2.gz WBQZXTDRYFMGQJ-IAGOWNOFSA-N 1 0 363.483 2.616 20 5 FFBDRO C[C@]1(NC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])C[NH+]2CCC1CC2 ZINC000824894804 743172878 /nfs/dbraw/zinc/17/28/78/743172878.db2.gz MCPXIDNIUACASG-KRWDZBQOSA-N 1 0 351.834 2.781 20 5 FFBDRO CC[NH+](CC)[C@@H](CNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)CC(C)C ZINC000825888272 743338195 /nfs/dbraw/zinc/33/81/95/743338195.db2.gz VZUMKAUSKATUMU-IAGOWNOFSA-N 1 0 351.447 2.501 20 5 FFBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3c(Br)cccc3[N+](=O)[O-])CC[C@H]21 ZINC000827216708 743535507 /nfs/dbraw/zinc/53/55/07/743535507.db2.gz CNUKZOBDCKAFTH-ZYHUDNBSSA-N 1 0 368.231 2.524 20 5 FFBDRO CCOc1cc(CN2C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000830074295 745301971 /nfs/dbraw/zinc/30/19/71/745301971.db2.gz DXDYTGXONCPHMW-GASCZTMLSA-N 1 0 351.447 2.535 20 5 FFBDRO Cc1cc(Cl)c(C(=O)N(C)CCC[N@@H+](C)CCN(C)C)cc1[N+](=O)[O-] ZINC000832124861 745640501 /nfs/dbraw/zinc/64/05/01/745640501.db2.gz RDWDAHNLPBUXOR-UHFFFAOYSA-N 1 0 370.881 2.512 20 5 FFBDRO CS[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2Br)C[C@H]1[NH+](C)C ZINC000839531999 746848906 /nfs/dbraw/zinc/84/89/06/746848906.db2.gz PRQIIFREQLBEJY-CHWSQXEVSA-N 1 0 374.304 2.835 20 5 FFBDRO C[C@@H]1CC[C@@](CO)([N@H+](C)CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000839568209 746858246 /nfs/dbraw/zinc/85/82/46/746858246.db2.gz KTZVYFWGNFEBTG-BDJLRTHQSA-N 1 0 355.822 2.670 20 5 FFBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839603769 746868772 /nfs/dbraw/zinc/86/87/72/746868772.db2.gz VYTPQOADTKBTPD-WFASDCNBSA-N 1 0 366.849 2.745 20 5 FFBDRO NC(=O)[C@@H]1C[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000839640960 746879427 /nfs/dbraw/zinc/87/94/27/746879427.db2.gz OGRLTZBHWQKQJR-JKSUJKDBSA-N 1 0 359.813 2.949 20 5 FFBDRO C[NH+](C)CCCNC(=S)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000840802933 747188083 /nfs/dbraw/zinc/18/80/83/747188083.db2.gz OIXSTHNIWVCXCU-OAHLLOKOSA-N 1 0 350.488 2.600 20 5 FFBDRO CC(C)(C)[C@@H](C[NH3+])NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841160763 747283852 /nfs/dbraw/zinc/28/38/52/747283852.db2.gz GFXRHBBUQXYIJT-LLVKDONJSA-N 1 0 359.224 2.852 20 5 FFBDRO [NH3+][C@@H]1CCO[C@@H](C2CCN(C(=O)c3cc([N+](=O)[O-])ccc3Cl)CC2)C1 ZINC000842510340 747623533 /nfs/dbraw/zinc/62/35/33/747623533.db2.gz QCLYRCHGVPDEAX-MLGOLLRUSA-N 1 0 367.833 2.607 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2nc(C3CC[NH2+]CC3)no2)c(Br)c1 ZINC000843138565 747780103 /nfs/dbraw/zinc/78/01/03/747780103.db2.gz FLHDVYDICHJOPZ-UHFFFAOYSA-N 1 0 353.176 2.874 20 5 FFBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC2(CC[NH2+]C2)CC1 ZINC000843386157 747821524 /nfs/dbraw/zinc/82/15/24/747821524.db2.gz ILGXSULBZSQGBQ-LBPRGKRZSA-N 1 0 366.849 2.651 20 5 FFBDRO C[C@@H]([NH2+]C[C@H](O)c1cc(F)c(F)c(F)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850581376 749389398 /nfs/dbraw/zinc/38/93/98/749389398.db2.gz VPMJIGNEOTYPMA-GLEZIHRCSA-N 1 0 355.316 2.979 20 5 FFBDRO Cc1noc(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C)c1[N+](=O)[O-] ZINC000852036485 749757869 /nfs/dbraw/zinc/75/78/69/749757869.db2.gz YVAUKSOPLDYTMI-PWSUYJOCSA-N 1 0 354.407 2.626 20 5 FFBDRO CCN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000165832491 845692866 /nfs/dbraw/zinc/69/28/66/845692866.db2.gz SBFXSPDTLYINRL-UHFFFAOYSA-N 1 0 356.220 2.571 20 5 FFBDRO C[C@@H]1CN(c2cccc(F)c2)CC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000795186694 1013047440 /nfs/dbraw/zinc/04/74/40/1013047440.db2.gz BLRLFXSKRJDIIL-KUHUBIRLSA-N 1 0 359.401 2.978 20 5 FFBDRO Cc1cc(NCC2(C3(O)CCOCC3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000895820245 970984937 /nfs/dbraw/zinc/98/49/37/970984937.db2.gz PLTLCWGVXDSJTE-UHFFFAOYSA-N 1 0 357.410 2.607 20 5 FFBDRO Cn1c2cc(NC3CCC(C)([NH+]4CCC4)CC3)c([N+](=O)[O-])cc2n(C)c1=O ZINC000896253959 971373746 /nfs/dbraw/zinc/37/37/46/971373746.db2.gz FWJJWLWZWZKOBY-UHFFFAOYSA-N 1 0 373.457 2.604 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@H]3CC[C@H](C(F)(F)F)O3)CC2)cn1 ZINC000896279687 971395278 /nfs/dbraw/zinc/39/52/78/971395278.db2.gz FCYSIUKENMZNHI-ZIAGYGMSSA-N 1 0 374.363 2.658 20 5 FFBDRO Cc1cc(N2CCC([C@H]3COC(=O)N3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000896311415 971415373 /nfs/dbraw/zinc/41/53/73/971415373.db2.gz UECGVKDFVZVYAS-MRXNPFEDSA-N 1 0 356.382 2.776 20 5 FFBDRO C[C@@H]([NH2+]CC(C)(C)[C@H]1COCC12OCCO2)c1c(F)cccc1[N+](=O)[O-] ZINC000872079690 1013140566 /nfs/dbraw/zinc/14/05/66/1013140566.db2.gz OEGHCHWVCDENBP-IUODEOHRSA-N 1 0 368.405 2.800 20 5 FFBDRO Cc1cc(S(=O)(=O)NCC[C@H](C)[NH+]2CCCCC2)c(C)cc1[N+](=O)[O-] ZINC001211488636 958854977 /nfs/dbraw/zinc/85/49/77/958854977.db2.gz GCXKWBFINYOIFI-HNNXBMFYSA-N 1 0 369.487 2.754 20 5 FFBDRO COc1cc(N2Cc3ccccc3C3(CC[NH2+]CC3)C2)ncc1[N+](=O)[O-] ZINC001167159655 960334912 /nfs/dbraw/zinc/33/49/12/960334912.db2.gz GAYCRDLWFBCNEF-UHFFFAOYSA-N 1 0 354.410 2.640 20 5 FFBDRO CN(CC(C)(C)C[NH+](C)C)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000890887326 960805225 /nfs/dbraw/zinc/80/52/25/960805225.db2.gz KEKWKDILCTVTRD-UHFFFAOYSA-N 1 0 362.474 2.855 20 5 FFBDRO CCOc1cc(N(Cc2ccccc2)C2(C[NH3+])COC2)ccc1[N+](=O)[O-] ZINC001167378077 962522419 /nfs/dbraw/zinc/52/24/19/962522419.db2.gz AOISNPCXXGHNAT-UHFFFAOYSA-N 1 0 357.410 2.728 20 5 FFBDRO Cc1nn(C[N@H+]2CC[C@H](Cc3cnn(C)c3)C2)c2cc([N+](=O)[O-])ccc12 ZINC000121237809 963068836 /nfs/dbraw/zinc/06/88/36/963068836.db2.gz AWQKGYKOUDTFGT-CQSZACIVSA-N 1 0 354.414 2.509 20 5 FFBDRO CN(C(=O)CC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000135194330 963822435 /nfs/dbraw/zinc/82/24/35/963822435.db2.gz FFLZTWXYFUHBGU-OAHLLOKOSA-N 1 0 369.425 2.529 20 5 FFBDRO CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C1 ZINC000134539165 963986346 /nfs/dbraw/zinc/98/63/46/963986346.db2.gz TWJZYCRDRQEQHX-CYBMUJFWSA-N 1 0 373.409 2.964 20 5 FFBDRO CC(C)[N@@H+]1CCCN(C(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)CC1 ZINC001143565651 965131998 /nfs/dbraw/zinc/13/19/98/965131998.db2.gz OZYMJFRKVDWVKE-UHFFFAOYSA-N 1 0 356.426 2.887 20 5 FFBDRO C[C@@H]1[C@@H](C)CCN1C(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000934041547 965541495 /nfs/dbraw/zinc/54/14/95/965541495.db2.gz CQRCGSNVROIWOI-UONOGXRCSA-N 1 0 361.446 2.609 20 5 FFBDRO CN(C(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-])C1CCCC1 ZINC000934041634 965541513 /nfs/dbraw/zinc/54/15/13/965541513.db2.gz FQRAPMZPKDOVHS-UHFFFAOYSA-N 1 0 361.446 2.753 20 5 FFBDRO C[C@H]([NH2+]C(C)(C)CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000825688472 1013601293 /nfs/dbraw/zinc/60/12/93/1013601293.db2.gz LNCSSAIEINLCCK-KSSFIOAISA-N 1 0 371.437 2.874 20 5 FFBDRO COc1cc(C[NH2+]C[C@H]2COCO2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000894873338 966001227 /nfs/dbraw/zinc/00/12/27/966001227.db2.gz RFIAJPXLUDREBH-INIZCTEOSA-N 1 0 374.393 2.645 20 5 FFBDRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2cc3ccccc3c3cccnc23)C1 ZINC000684845785 966434348 /nfs/dbraw/zinc/43/43/48/966434348.db2.gz UQQPGZIBSMUARN-QFIPXVFZSA-N 1 0 363.461 2.917 20 5 FFBDRO CCOc1ccc(NC(=O)C[NH2+]C2([C@@H]3CCCCO3)CC2)c([N+](=O)[O-])c1 ZINC001176431645 1013698293 /nfs/dbraw/zinc/69/82/93/1013698293.db2.gz HWQMRMLHBBREEK-INIZCTEOSA-N 1 0 363.414 2.623 20 5 FFBDRO Cn1c2ccccc2c(N2CC[C@@H]([NH+]3CCCCC3)C2)c([N+](=O)[O-])c1=O ZINC000892409915 968353246 /nfs/dbraw/zinc/35/32/46/968353246.db2.gz NSRSDPXAUOKTAJ-CQSZACIVSA-N 1 0 356.426 2.511 20 5 FFBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000177072021 968812750 /nfs/dbraw/zinc/81/27/50/968812750.db2.gz WIMGORMWNXBTNP-UHFFFAOYSA-N 1 0 374.416 2.662 20 5 FFBDRO C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C[N@@H+]1C1CC1 ZINC000177132638 969060262 /nfs/dbraw/zinc/06/02/62/969060262.db2.gz DIXHNCBAMZVSOI-GJZGRUSLSA-N 1 0 372.469 2.940 20 5 FFBDRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000874845398 1013916613 /nfs/dbraw/zinc/91/66/13/1013916613.db2.gz GGJZLLIUHJJPMO-WMZOPIPTSA-N 1 0 372.469 2.506 20 5 FFBDRO COc1cccc(N2CC[C@H]([NH2+]Cc3ccc(O)c(OC)c3[N+](=O)[O-])C2)c1 ZINC000892860493 970333000 /nfs/dbraw/zinc/33/30/00/970333000.db2.gz HCPDDGUYQWTAHY-AWEZNQCLSA-N 1 0 373.409 2.686 20 5 FFBDRO CCOC(=O)CCN(Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1)C1CC1 ZINC000103458074 970403198 /nfs/dbraw/zinc/40/31/98/970403198.db2.gz NHKNZPJTOJLZBU-UHFFFAOYSA-N 1 0 358.398 2.833 20 5 FFBDRO Cn1c2ccccc2c(N2CC[C@@H](C3CC[NH+](C)CC3)C2)c([N+](=O)[O-])c1=O ZINC000892983233 970468892 /nfs/dbraw/zinc/46/88/92/970468892.db2.gz GZBHEQCKVSWGGZ-OAHLLOKOSA-N 1 0 370.453 2.615 20 5 FFBDRO Cc1nn(CCC(=O)N2[C@H](C)CCC[C@H]2CC[NH+](C)C)c(C)c1[N+](=O)[O-] ZINC000893027916 970508738 /nfs/dbraw/zinc/50/87/38/970508738.db2.gz ZHYWUJGXTKMZKH-CJNGLKHVSA-N 1 0 365.478 2.520 20 5 FFBDRO O=C1N[C@@H](C2CC[NH+](Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CO1 ZINC000897019210 973158030 /nfs/dbraw/zinc/15/80/30/973158030.db2.gz LYVSTUWBVSDWAN-CYBMUJFWSA-N 1 0 373.331 2.934 20 5 FFBDRO C[C@@H](CNC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000897067544 973217135 /nfs/dbraw/zinc/21/71/35/973217135.db2.gz KYSPWJYLYSCQFU-HOTGVXAUSA-N 1 0 360.458 2.826 20 5 FFBDRO CC[NH+]1CCN(c2cc(N(C)C(=O)Cc3ccco3)cc([N+](=O)[O-])c2)CC1 ZINC000876227807 1014187877 /nfs/dbraw/zinc/18/78/77/1014187877.db2.gz HNIJUDRXOMPQTL-UHFFFAOYSA-N 1 0 372.425 2.535 20 5 FFBDRO CCC1([NH+]2CCC2)CCN(C(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000899561852 977231385 /nfs/dbraw/zinc/23/13/85/977231385.db2.gz KIFRSWMJMGBEEC-UHFFFAOYSA-N 1 0 361.442 2.623 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)c1 ZINC001211759076 977831708 /nfs/dbraw/zinc/83/17/08/977831708.db2.gz UGKKRSYTIJPAOQ-INIZCTEOSA-N 1 0 369.487 2.610 20 5 FFBDRO O=C(NCCC1CC[NH+](Cc2ccc(Cl)s2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001482044048 977956771 /nfs/dbraw/zinc/95/67/71/977956771.db2.gz ZVIMJARFFNUBOI-ZIAGYGMSSA-N 1 0 371.890 2.785 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H]([NH+](C)C)Cc2ccccc21 ZINC000067208768 977965679 /nfs/dbraw/zinc/96/56/79/977965679.db2.gz XCTLSTLOQPIVAU-OAHLLOKOSA-N 1 0 355.394 2.737 20 5 FFBDRO C[N@H+](CCN1CCN(c2cccc(F)c2[N+](=O)[O-])CC1)Cc1ccccc1 ZINC000729185110 978199172 /nfs/dbraw/zinc/19/91/72/978199172.db2.gz JXAAZABMMBZMKL-UHFFFAOYSA-N 1 0 372.444 2.988 20 5 FFBDRO Cc1ccc(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)c(O[C@H]2CCOC2)c1 ZINC000877087810 1014473711 /nfs/dbraw/zinc/47/37/11/1014473711.db2.gz STIJRESUIWEDAV-HTWSVDAQSA-N 1 0 372.425 2.761 20 5 FFBDRO [NH3+]CC12CCC(CC1)N2C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000877192813 1014505515 /nfs/dbraw/zinc/50/55/15/1014505515.db2.gz SNWPIZZHKZKIOC-UHFFFAOYSA-N 1 0 358.442 2.681 20 5 FFBDRO Cc1ccc(C[N@H+](C)CC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1C ZINC001029964794 980156573 /nfs/dbraw/zinc/15/65/73/980156573.db2.gz ZXDAVAOLGUQZRC-RTBURBONSA-N 1 0 359.470 2.639 20 5 FFBDRO C[N@@H+](Cc1ccc(C2CC2)cc1)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001029964664 980156636 /nfs/dbraw/zinc/15/66/36/980156636.db2.gz UPCRRRQMOFFXNQ-WOJBJXKFSA-N 1 0 371.481 2.900 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]Cc3noc4ccccc34)CC2)cn1 ZINC000877620511 1014649398 /nfs/dbraw/zinc/64/93/98/1014649398.db2.gz IOMXOLYDXAQKIX-UHFFFAOYSA-N 1 0 353.382 2.890 20 5 FFBDRO C[NH+](C)[C@@H]1CCN(Cc2ccc(-c3cc([N+](=O)[O-])ccc3CCO)cc2)C1 ZINC000906180668 980592596 /nfs/dbraw/zinc/59/25/96/980592596.db2.gz YJFKWJGPOYQZDT-HXUWFJFHSA-N 1 0 369.465 2.933 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)CCCN1CC[NH+](C(C)C)CC1 ZINC000908267711 981402933 /nfs/dbraw/zinc/40/29/33/981402933.db2.gz IEAAYIRIOWPRJN-UHFFFAOYSA-N 1 0 362.474 2.956 20 5 FFBDRO COc1ccc(C[C@](C)(CO)[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000877829970 1014745918 /nfs/dbraw/zinc/74/59/18/1014745918.db2.gz BQNYDUXHACWTHK-HXUWFJFHSA-N 1 0 374.437 2.738 20 5 FFBDRO CC1(C)CCC(C[NH2+]C2CC3(CC(NC(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)C2)CC1 ZINC000963791143 1014765945 /nfs/dbraw/zinc/76/59/45/1014765945.db2.gz OCPYNEUOZXGCDY-SWGIKSQZSA-N 1 0 363.502 2.885 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000878087880 1014852063 /nfs/dbraw/zinc/85/20/63/1014852063.db2.gz AOHZTJJLWHUOMB-SFHVURJKSA-N 1 0 362.405 2.684 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@]1(c2cnn(C)c2)CCCO1 ZINC000898059039 982604277 /nfs/dbraw/zinc/60/42/77/982604277.db2.gz WRFWHUHKUUMPNL-SFHVURJKSA-N 1 0 360.414 2.523 20 5 FFBDRO C[NH+](C)[C@H]1C[C@@H](NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)C12CCC2 ZINC001168337068 982977228 /nfs/dbraw/zinc/97/72/28/982977228.db2.gz DIKXMPSMXCHBJZ-MNOVXSKESA-N 1 0 370.812 2.572 20 5 FFBDRO O=C(CC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1)Nc1ccccc1 ZINC000028844236 983998872 /nfs/dbraw/zinc/99/88/72/983998872.db2.gz VBXLKDBSRGFOSR-UHFFFAOYSA-N 1 0 354.410 2.746 20 5 FFBDRO C[C@]1(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C[NH+]2CCC1CC2 ZINC000912375334 984023432 /nfs/dbraw/zinc/02/34/32/984023432.db2.gz FNJKAARBNIRRKQ-QFIPXVFZSA-N 1 0 361.445 2.895 20 5 FFBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000044582739 984325153 /nfs/dbraw/zinc/32/51/53/984325153.db2.gz OHNNGSYPGCHOQJ-CHWSQXEVSA-N 1 0 364.402 2.601 20 5 FFBDRO O=[N+]([O-])c1ccnn1CN1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000164804557 984403037 /nfs/dbraw/zinc/40/30/37/984403037.db2.gz KQBAMIQRLUYGQL-MSOLQXFVSA-N 1 0 355.442 2.735 20 5 FFBDRO C[NH+](C)C[C@H]1CN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)c2ccccc2O1 ZINC000760820521 984531521 /nfs/dbraw/zinc/53/15/21/984531521.db2.gz FGKKVDAUPCRMFM-GKUQOKNUSA-N 1 0 367.405 2.964 20 5 FFBDRO C[NH+](C)C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2F)c2ccccc2O1 ZINC000760823322 984533129 /nfs/dbraw/zinc/53/31/29/984533129.db2.gz QXHVYLCWSUOLMS-ZDUSSCGKSA-N 1 0 359.357 2.703 20 5 FFBDRO C[NH+](C)CCOc1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000046722206 984777244 /nfs/dbraw/zinc/77/72/44/984777244.db2.gz DJPWZVSNXWHWQZ-UHFFFAOYSA-N 1 0 374.353 2.696 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C2CCN(CCc3ccccc3)CC2)cc1 ZINC000765845234 986710330 /nfs/dbraw/zinc/71/03/30/986710330.db2.gz OJHZDYYZDVNYIJ-NRFANRHFSA-N 1 0 369.465 2.925 20 5 FFBDRO O=C(NC12CC[NH+](CC1)C2)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000913633250 986780687 /nfs/dbraw/zinc/78/06/87/986780687.db2.gz AMXGMKLBWJMRGT-UHFFFAOYSA-N 1 0 367.405 2.752 20 5 FFBDRO COC(=O)[C@@H]1C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@H]1c1ccc(O)cc1 ZINC000451099859 987357514 /nfs/dbraw/zinc/35/75/14/987357514.db2.gz ZNYJAXYJWHCZNS-LSDHHAIUSA-N 1 0 374.368 2.828 20 5 FFBDRO [NH3+]CCc1nc(-c2ccccc2)nn1-c1ccc2ncccc2c1[N+](=O)[O-] ZINC001168714014 988179149 /nfs/dbraw/zinc/17/91/49/988179149.db2.gz BQPHRVYCUIVXEG-UHFFFAOYSA-N 1 0 360.377 2.892 20 5 FFBDRO Cc1noc(C)c1CO[C@H]1CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000762638100 988543588 /nfs/dbraw/zinc/54/35/88/988543588.db2.gz AIQXIRNYLWIISA-FUHWJXTLSA-N 1 0 361.398 2.524 20 5 FFBDRO Cc1c(C[NH2+][C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)cccc1[N+](=O)[O-] ZINC000763098059 989035002 /nfs/dbraw/zinc/03/50/02/989035002.db2.gz MFVQLDQTSRTEDE-WOJBJXKFSA-N 1 0 369.465 2.876 20 5 FFBDRO CCC1([NH+](C)C)CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000879286923 1015461271 /nfs/dbraw/zinc/46/12/71/1015461271.db2.gz ZDEHYDDCELRQQE-UHFFFAOYSA-N 1 0 366.437 2.869 20 5 FFBDRO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC[NH+](Cc2ccc3ccccc3c2)CC1 ZINC001005384188 989741327 /nfs/dbraw/zinc/74/13/27/989741327.db2.gz YIQUUCDIVLBHOL-WOJBJXKFSA-N 1 0 367.449 2.928 20 5 FFBDRO Cc1ccc(C[N@@H+]2CCC3(C2)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC3)c(C)c1 ZINC001035186424 990401308 /nfs/dbraw/zinc/40/13/08/990401308.db2.gz DSQMXQDSZFHKIE-RTBURBONSA-N 1 0 371.481 2.783 20 5 FFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(CC[N@H+](C/C=C\c3ccccc3)C2)CC1 ZINC001035186686 990410205 /nfs/dbraw/zinc/41/02/05/990410205.db2.gz JKKWZPIOAVYNCR-ZSKSOVMSSA-N 1 0 369.465 2.680 20 5 FFBDRO C[C@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C1([NH+]2CCOCC2)CCCC1 ZINC000155166854 990783879 /nfs/dbraw/zinc/78/38/79/990783879.db2.gz GOVCIQXTQALBQK-FSNWXROXSA-N 1 0 373.453 2.758 20 5 FFBDRO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)c(N)c([N+](=O)[O-])c1 ZINC000180153769 991440093 /nfs/dbraw/zinc/44/00/93/991440093.db2.gz OFPGUDORLRVHRG-CRAIPNDOSA-N 1 0 354.410 2.661 20 5 FFBDRO O=C(O[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000810842131 994948527 /nfs/dbraw/zinc/94/85/27/994948527.db2.gz SSPORWHEYPVCOI-BBRMVZONSA-N 1 0 356.382 2.564 20 5 FFBDRO O=C(OCCC[NH+]1CCCCC1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000747758326 995317484 /nfs/dbraw/zinc/31/74/84/995317484.db2.gz FGYVNCRPNDXCET-UHFFFAOYSA-N 1 0 358.398 2.813 20 5 FFBDRO CC(C)(CCc1noc([C@H]2CCC[N@H+](Cc3cccnc3)C2)n1)[N+](=O)[O-] ZINC000812814020 995538278 /nfs/dbraw/zinc/53/82/78/995538278.db2.gz TWQCWRLZIDIBTM-HNNXBMFYSA-N 1 0 359.430 2.832 20 5 FFBDRO CC(C)[C@@H](CNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)[NH+]1CCC(C)CC1 ZINC000824982632 997170415 /nfs/dbraw/zinc/17/04/15/997170415.db2.gz JJLCZPJMWBVTLS-QZTJIDSGSA-N 1 0 363.458 2.501 20 5 FFBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)CC1 ZINC000825188749 997266505 /nfs/dbraw/zinc/26/65/05/997266505.db2.gz NVDQIBKZOQFJTI-HUUCEWRRSA-N 1 0 360.458 2.688 20 5 FFBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)Nc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000843889499 997482400 /nfs/dbraw/zinc/48/24/00/997482400.db2.gz CIKRYJCSBRCLAY-OAHLLOKOSA-N 1 0 373.384 2.861 20 5 FFBDRO C[C@@H]([NH2+]C[C@](C)(O)CN(C)C(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000844314298 997801520 /nfs/dbraw/zinc/80/15/20/997801520.db2.gz ZIGQOSSNWJXVJP-ACJLOTCBSA-N 1 0 367.446 2.863 20 5 FFBDRO O=C(NC1CCC([NH+]2CCCCC2)CC1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000826932625 1016214838 /nfs/dbraw/zinc/21/48/38/1016214838.db2.gz BLLZGCFRRVXUGZ-HTWSVDAQSA-N 1 0 361.442 2.542 20 5 FFBDRO C[N@@H+]1CCCC[C@H]1CCC(=O)OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000803858284 1016247390 /nfs/dbraw/zinc/24/73/90/1016247390.db2.gz NZTULOGXOHTYRE-AWEZNQCLSA-N 1 0 374.397 2.953 20 5 FFBDRO C[C@@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000823678276 999069396 /nfs/dbraw/zinc/06/93/96/999069396.db2.gz DSXLEZNGICDSJV-GXTWGEPZSA-N 1 0 363.414 2.516 20 5 FFBDRO Cc1c(C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000741579290 999732262 /nfs/dbraw/zinc/73/22/62/999732262.db2.gz LBKYRFSFRUIMJM-HZMBPMFUSA-N 1 0 364.402 2.532 20 5 FFBDRO O=[N+]([O-])c1cn(CN2CC[C@H](C[NH+]3CCCCC3)C2)nc1-c1ccncc1 ZINC000742169674 999760818 /nfs/dbraw/zinc/76/08/18/999760818.db2.gz FTMVUKOQTUMYEI-MRXNPFEDSA-N 1 0 370.457 2.619 20 5 FFBDRO CC(C)Cc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cc1 ZINC001086363574 999871977 /nfs/dbraw/zinc/87/19/77/999871977.db2.gz BJBKHANOGQLGHV-NCXUSEDFSA-N 1 0 359.470 2.535 20 5 FFBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000745943429 999938226 /nfs/dbraw/zinc/93/82/26/999938226.db2.gz DGTCXPAAKZAVDY-OAHLLOKOSA-N 1 0 365.430 2.915 20 5 FFBDRO O=C(c1ccccc1)N1CCC[C@@H](Nc2cc3c(cc2[N+](=O)[O-])C[NH2+]C3)C1 ZINC001168900911 1000005127 /nfs/dbraw/zinc/00/51/27/1000005127.db2.gz YSJVDUMXAVAAMK-QGZVFWFLSA-N 1 0 366.421 2.915 20 5 FFBDRO C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn([C@@H]3CC[C@H](C[N+](=O)[O-])C3)cc2)CC1 ZINC001168981159 1000012463 /nfs/dbraw/zinc/01/24/63/1000012463.db2.gz GOCQDZWDYLVRQQ-PBDXBIJPSA-N 1 0 374.485 2.687 20 5 FFBDRO CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001168960240 1000012979 /nfs/dbraw/zinc/01/29/79/1000012979.db2.gz FEYQTPOCZRBJQT-GVRJEKJASA-N 1 0 353.463 2.952 20 5 FFBDRO CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C[NH2+][C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC[C@@H]2C1 ZINC001168965010 1000013319 /nfs/dbraw/zinc/01/33/19/1000013319.db2.gz XHSLQULTXSRVMA-FIDHJVLJSA-N 1 0 367.490 2.915 20 5 FFBDRO O=C(C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccc(Br)c(F)c1 ZINC001168975780 1000013729 /nfs/dbraw/zinc/01/37/29/1000013729.db2.gz XDNLIUGBSCJEQP-MWLCHTKSSA-N 1 0 359.195 2.806 20 5 FFBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2ccc(I)cc2)C1 ZINC001168975205 1000013806 /nfs/dbraw/zinc/01/38/06/1000013806.db2.gz URHOFEZPPMHIGH-WCQYABFASA-N 1 0 360.195 2.826 20 5 FFBDRO O=C(c1ccc(F)cc1)N1CCC(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168993593 1000013983 /nfs/dbraw/zinc/01/39/83/1000013983.db2.gz NLRFJWOKVPUFBB-MAUKXSAKSA-N 1 0 363.433 2.713 20 5 FFBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]C2CCN(Cc3cc(F)ccc3F)CC2)C1 ZINC001168993623 1000014047 /nfs/dbraw/zinc/01/40/47/1000014047.db2.gz NTYQKKUGVJNIEJ-SUMWQHHRSA-N 1 0 353.413 2.964 20 5 FFBDRO CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2[C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169011330 1000015676 /nfs/dbraw/zinc/01/56/76/1000015676.db2.gz JWLVDVSZWXCLND-YHUYYLMFSA-N 1 0 353.463 2.763 20 5 FFBDRO Cc1ccc(N2C[C@]3(CC[N@@H+]([C@H]4CC[C@@H](C[N+](=O)[O-])C4)C3)CC2=O)cc1 ZINC001169030280 1000016127 /nfs/dbraw/zinc/01/61/27/1000016127.db2.gz XWLBPDBIYOJUJE-IMFGXOCKSA-N 1 0 357.454 2.869 20 5 FFBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCC(Oc3cnc4ccccc4n3)CC2)C1 ZINC001169035819 1000016645 /nfs/dbraw/zinc/01/66/45/1000016645.db2.gz CNDGCIUQGSGXTN-CABCVRRESA-N 1 0 356.426 2.918 20 5 FFBDRO CN1C(=O)C[C@H](c2ccccc2)C12CC[NH+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169024407 1000017957 /nfs/dbraw/zinc/01/79/57/1000017957.db2.gz GYCDPQBMMSEGQX-QXAKKESOSA-N 1 0 371.481 2.912 20 5 FFBDRO CCN1CC[C@@]2(C[N@@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@@H]2c2ccccc2)C1=O ZINC001169026669 1000018104 /nfs/dbraw/zinc/01/81/04/1000018104.db2.gz YNGVVWVEGYYIJR-LYSIVYOWSA-N 1 0 371.481 2.770 20 5 FFBDRO O=[N+]([O-])C[C@H]1CC[C@H](n2nc(-c3ccc(F)cc3)c3c2CC[NH2+]CC3)C1 ZINC001169025179 1000018108 /nfs/dbraw/zinc/01/81/08/1000018108.db2.gz SOMNPXCFQBLONR-BBRMVZONSA-N 1 0 358.417 2.995 20 5 FFBDRO CC(C)(C)OC(=O)N1CC[C@@H]([N@H+](C2CC2)[C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169048694 1000018695 /nfs/dbraw/zinc/01/86/95/1000018695.db2.gz APTKGIJMMDTWNL-NUEKZKHPSA-N 1 0 353.463 2.906 20 5 FFBDRO O=C1c2cccc(F)c2CN1[C@@H]1CCC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169056297 1000019027 /nfs/dbraw/zinc/01/90/27/1000019027.db2.gz RGKAVOICKRGZRS-RRFJBIMHSA-N 1 0 361.417 2.691 20 5 FFBDRO COc1cc(CCNc2ccc([N+](=O)[O-])c(OCC[NH+](C)C)c2)ccn1 ZINC001169227189 1000032539 /nfs/dbraw/zinc/03/25/39/1000032539.db2.gz YQRVJTSZTUYWCB-UHFFFAOYSA-N 1 0 360.414 2.593 20 5 FFBDRO CCOc1ccc([C@@H](C)[NH2+]CC(=O)NCc2ccccc2)cc1[N+](=O)[O-] ZINC000768095431 1000179167 /nfs/dbraw/zinc/17/91/67/1000179167.db2.gz DLOPDPVTEQPUQC-CQSZACIVSA-N 1 0 357.410 2.961 20 5 FFBDRO Cn1cc([C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC2(C)C)cn1 ZINC000846931960 1000482301 /nfs/dbraw/zinc/48/23/01/1000482301.db2.gz OLORIYFLYNEVKE-HNNXBMFYSA-N 1 0 359.386 2.862 20 5 FFBDRO COC(=O)N1CC([NH2+]Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000769933053 1000641067 /nfs/dbraw/zinc/64/10/67/1000641067.db2.gz ALWHJQBDDSLMOP-UHFFFAOYSA-N 1 0 370.409 2.903 20 5 FFBDRO COc1c(F)cc(NCc2ccccc2N2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC001171286196 1000763878 /nfs/dbraw/zinc/76/38/78/1000763878.db2.gz SUJXQZZKXCBLMB-UHFFFAOYSA-N 1 0 360.389 2.764 20 5 FFBDRO CC[C@@H]1CC[C@@H](C)[N@@H+]1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000772357867 1001361572 /nfs/dbraw/zinc/36/15/72/1001361572.db2.gz SPXNZDZWEBEADB-HZPDHXFCSA-N 1 0 360.458 2.506 20 5 FFBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000786843257 1001638872 /nfs/dbraw/zinc/63/88/72/1001638872.db2.gz HOTWAEQQHGISRA-UHFFFAOYSA-N 1 0 360.458 2.952 20 5 FFBDRO Cc1cc(F)ccc1[C@H](O)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000746654024 1001670438 /nfs/dbraw/zinc/67/04/38/1001670438.db2.gz MVSMTXFTKDWCRZ-LJQANCHMSA-N 1 0 359.401 2.898 20 5 FFBDRO Cc1cc(F)ccc1[C@@H](O)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000746669449 1001681693 /nfs/dbraw/zinc/68/16/93/1001681693.db2.gz CLPAQVNUVQOFET-YOEHRIQHSA-N 1 0 360.389 2.657 20 5 FFBDRO COc1ccc([C@H](O)C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000788431003 1001799057 /nfs/dbraw/zinc/79/90/57/1001799057.db2.gz RAUJBHSCUUSQRL-BRWVUGGUSA-N 1 0 360.414 2.607 20 5 FFBDRO Cc1nccn1-c1ccc(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)cn1 ZINC000788556991 1001819904 /nfs/dbraw/zinc/81/99/04/1001819904.db2.gz IXXLERLQKKICEG-LBPRGKRZSA-N 1 0 352.398 2.917 20 5 FFBDRO [NH2+]=c1ccc2nc3c(cc(NC(=O)[C@@H]4CCNC4=O)c4ccccc43)oc-2c1 ZINC001183011607 1002121984 /nfs/dbraw/zinc/12/19/84/1002121984.db2.gz LGGAMFGCTUXKDE-CQSZACIVSA-N 1 0 372.384 2.640 20 5 FFBDRO Cc1c(CO)cc([N+](=O)[O-])c(NC[C@H]2[N@H+](C)CCCC2(C)C)c1[N+](=O)[O-] ZINC000790284845 1002318741 /nfs/dbraw/zinc/31/87/41/1002318741.db2.gz IDUKFBXSSNMZJE-CQSZACIVSA-N 1 0 366.418 2.836 20 5 FFBDRO COCC[N@H+](Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CC[C@@H](C)C1 ZINC000790481338 1002389278 /nfs/dbraw/zinc/38/92/78/1002389278.db2.gz XLQFWMLJUBXTEO-GDBMZVCRSA-N 1 0 359.430 2.948 20 5 FFBDRO C[N@H+](CCCNC(=O)c1cc([N+](=O)[O-])c(F)cc1N)Cc1ccccc1 ZINC000791301167 1002639046 /nfs/dbraw/zinc/63/90/46/1002639046.db2.gz MKTXQFASJHWYBJ-UHFFFAOYSA-N 1 0 360.389 2.568 20 5 FFBDRO O=[N+]([O-])c1cnc2c(Cl)cccc2c1NCCCC[NH+]1CCOCC1 ZINC001184874472 1002746893 /nfs/dbraw/zinc/74/68/93/1002746893.db2.gz OHTVUGMWBIPGTO-UHFFFAOYSA-N 1 0 364.833 2.743 20 5 FFBDRO CCN(CC)C(=O)C1CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000774860750 1002910521 /nfs/dbraw/zinc/91/05/21/1002910521.db2.gz AYWJQGIVRKDYFM-UHFFFAOYSA-N 1 0 364.402 2.583 20 5 FFBDRO COc1ccc(C[C@@H](C)[NH2+]CCNC(=O)c2ccccc2)c([N+](=O)[O-])c1 ZINC001170297843 1003090998 /nfs/dbraw/zinc/09/09/98/1003090998.db2.gz UFBPCGIMCQQFSG-CQSZACIVSA-N 1 0 357.410 2.554 20 5 FFBDRO COc1ccc(C[C@@H](C)[NH2+]C[C@H](O)COCc2ccccc2)c([N+](=O)[O-])c1 ZINC001170297208 1003092128 /nfs/dbraw/zinc/09/21/28/1003092128.db2.gz MBTPIDQIELYSMU-QAPCUYQASA-N 1 0 374.437 2.702 20 5 FFBDRO COc1ccc(C[C@H](C)N2c3ccccc3OC[C@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC001170313963 1003104092 /nfs/dbraw/zinc/10/40/92/1003104092.db2.gz SDHPCSJBZXZGMK-DZGCQCFKSA-N 1 0 357.410 2.761 20 5 FFBDRO COc1ccc(C[C@@H](C)[NH2+][C@@H]2CCN(c3ccccn3)C2)c([N+](=O)[O-])c1 ZINC001170322938 1003112047 /nfs/dbraw/zinc/11/20/47/1003112047.db2.gz JCJGSNXRNQKGNW-GDBMZVCRSA-N 1 0 356.426 2.798 20 5 FFBDRO COc1ccc(C[C@H](C)n2nnc(-c3ccc(C[NH3+])cc3)n2)c([N+](=O)[O-])c1 ZINC001170326825 1003113564 /nfs/dbraw/zinc/11/35/64/1003113564.db2.gz OHMHMFABIUQWRZ-LBPRGKRZSA-N 1 0 368.397 2.519 20 5 FFBDRO COc1ccc(C[C@H](C)[NH2+][C@H]2CCCN(c3ccncn3)C2)c([N+](=O)[O-])c1 ZINC001170325980 1003113687 /nfs/dbraw/zinc/11/36/87/1003113687.db2.gz ZRDPTIPFOAHAPU-HOCLYGCPSA-N 1 0 371.441 2.583 20 5 FFBDRO COc1ccc(C[C@H](C)[NH2+][C@H](CO)c2ccccc2OC)c([N+](=O)[O-])c1 ZINC001170326559 1003113737 /nfs/dbraw/zinc/11/37/37/1003113737.db2.gz MNUDBFCJIXRREV-SUMWQHHRSA-N 1 0 360.410 2.866 20 5 FFBDRO CC[C@H](C)[C@H]([NH2+][C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])C(=O)N(C)C ZINC001170327406 1003114752 /nfs/dbraw/zinc/11/47/52/1003114752.db2.gz QJAHCUZHBUCTTG-AHIWAGSCSA-N 1 0 351.447 2.627 20 5 FFBDRO O=[N+]([O-])c1c(NC2CC[NH+](Cc3cccnc3)CC2)nc2ccccn21 ZINC000804655905 1003770626 /nfs/dbraw/zinc/77/06/26/1003770626.db2.gz WKCCOMYZGUYPTH-UHFFFAOYSA-N 1 0 352.398 2.714 20 5 FFBDRO C[N@@H+]1CCN(c2nc3ccccn3c2[N+](=O)[O-])C[C@H]1Cc1ccccc1 ZINC000804720343 1003799316 /nfs/dbraw/zinc/79/93/16/1003799316.db2.gz ROFBQRYBFREBOI-MRXNPFEDSA-N 1 0 351.410 2.606 20 5 FFBDRO COc1ccc([C@H]2CN(Cc3cc([N+](=O)[O-])ccc3OC)CC[NH2+]2)cc1 ZINC001197050477 1004047915 /nfs/dbraw/zinc/04/79/15/1004047915.db2.gz BUAOCUBREVTEBO-GOSISDBHSA-N 1 0 357.410 2.759 20 5 FFBDRO O=C(O[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)C1CC[NH+](C2CC2)CC1 ZINC000805897698 1004173650 /nfs/dbraw/zinc/17/36/50/1004173650.db2.gz VSWPOFXPSZFJQX-CVEARBPZSA-N 1 0 362.430 2.693 20 5 FFBDRO CN(CCn1cc([N+](=O)[O-])cn1)C[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001197420862 1004216547 /nfs/dbraw/zinc/21/65/47/1004216547.db2.gz CNDWDCACMCMGND-SFHVURJKSA-N 1 0 357.458 2.778 20 5 FFBDRO COC(=O)C[C@@H]1CN(Cc2ccc(Br)cc2[N+](=O)[O-])C[C@H]1C ZINC001197853743 1004382382 /nfs/dbraw/zinc/38/23/82/1004382382.db2.gz APRDSFCZGDAIEA-ZYHUDNBSSA-N 1 0 371.231 2.988 20 5 FFBDRO CC[C@@H](C)NC(=O)c1cccc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000776276615 1005342971 /nfs/dbraw/zinc/34/29/71/1005342971.db2.gz LDNHSPSLJXXJAL-AUUYWEPGSA-N 1 0 371.437 2.946 20 5 FFBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)[N@H+](C)Cc1ccccc1 ZINC000110349881 1005931450 /nfs/dbraw/zinc/93/14/50/1005931450.db2.gz XMENIEYBWBIZQU-OAHLLOKOSA-N 1 0 370.453 2.911 20 5 FFBDRO C[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000776589670 1006003581 /nfs/dbraw/zinc/00/35/81/1006003581.db2.gz VAISAPCUWAGAFV-HZPDHXFCSA-N 1 0 365.430 2.569 20 5 FFBDRO CN(C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000776592655 1006010068 /nfs/dbraw/zinc/01/00/68/1006010068.db2.gz WWXJIJYCXOXDBF-WOJBJXKFSA-N 1 0 355.438 2.835 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)cc1 ZINC000776595895 1006038335 /nfs/dbraw/zinc/03/83/35/1006038335.db2.gz CEBRWAIZVCYMSC-HOCLYGCPSA-N 1 0 357.414 2.503 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@H](c3ccccc3)[C@H](CO)C2)c1 ZINC000852520682 1006063308 /nfs/dbraw/zinc/06/33/08/1006063308.db2.gz NCESZVJEKVNIKV-DFQSSKMNSA-N 1 0 356.422 2.726 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000881478447 1006123010 /nfs/dbraw/zinc/12/30/10/1006123010.db2.gz JSUSTVVHXZVALV-MRXNPFEDSA-N 1 0 361.442 2.585 20 5 FFBDRO C[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc2c(c1)CCCO2 ZINC000852782045 1006180940 /nfs/dbraw/zinc/18/09/40/1006180940.db2.gz NKIITVXRMORITG-LBPRGKRZSA-N 1 0 355.394 2.870 20 5 FFBDRO CC(C)c1ccc(C[NH+]2CCC3(CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)CC2)cc1 ZINC001050517393 1017035506 /nfs/dbraw/zinc/03/55/06/1017035506.db2.gz RPUHGKPJXGOSPB-RTBURBONSA-N 1 0 371.481 2.900 20 5 FFBDRO Cn1c(C(=O)O[C@@H](C[NH+](C)C)c2cc(F)c(F)c(F)c2)ccc1[N+](=O)[O-] ZINC000853210796 1006330660 /nfs/dbraw/zinc/33/06/60/1006330660.db2.gz GOXCQDKTEYBNEZ-ZDUSSCGKSA-N 1 0 371.315 2.810 20 5 FFBDRO CC(C)(C)[N@@H+]1CCCN(Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)CC1 ZINC000853492942 1006410499 /nfs/dbraw/zinc/41/04/99/1006410499.db2.gz FYBJTBNXYKKIGD-UHFFFAOYSA-N 1 0 358.446 2.617 20 5 FFBDRO Cn1nc2c(c1C[NH2+]CCc1c[nH]c3ccc([N+](=O)[O-])cc13)CSCC2 ZINC000883121452 1006657623 /nfs/dbraw/zinc/65/76/23/1006657623.db2.gz HYVWTSREFGWYPS-UHFFFAOYSA-N 1 0 371.466 2.931 20 5 FFBDRO CCC[C@H](C)C(=O)NCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000815633120 1006721531 /nfs/dbraw/zinc/72/15/31/1006721531.db2.gz GTYBFIAIUGWXHX-HNNXBMFYSA-N 1 0 362.474 2.706 20 5 FFBDRO CC[NH+](CC)C1CCN(S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)CC1 ZINC001116199522 1032187932 /nfs/dbraw/zinc/18/79/32/1032187932.db2.gz PVVPFZDKAPQESU-UHFFFAOYSA-N 1 0 369.487 2.707 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 ZINC000855287129 1007246057 /nfs/dbraw/zinc/24/60/57/1007246057.db2.gz IZGXUPFMIGQTBM-AWEZNQCLSA-N 1 0 360.458 2.798 20 5 FFBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001116250314 1032217679 /nfs/dbraw/zinc/21/76/79/1032217679.db2.gz IDPDXBFZUMGRJW-AWEZNQCLSA-N 1 0 352.822 2.628 20 5 FFBDRO C/C(=C/C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000856429362 1007822118 /nfs/dbraw/zinc/82/21/18/1007822118.db2.gz JOKXDKLPHYFCKM-OJSRQPNCSA-N 1 0 361.442 2.567 20 5 FFBDRO COc1cc(C(=O)N(C)C2CCC([NH3+])CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000818529015 1007925892 /nfs/dbraw/zinc/92/58/92/1007925892.db2.gz QCXPTYLMMBWEQS-UHFFFAOYSA-N 1 0 373.356 2.547 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]Cc2ccnc(N3CCCCC3)c2)cc1 ZINC000818964134 1007980309 /nfs/dbraw/zinc/98/03/09/1007980309.db2.gz LWPFHWOKUXNYID-SFHVURJKSA-N 1 0 356.426 2.803 20 5 FFBDRO CC(C)(C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCO2 ZINC000818984992 1008001162 /nfs/dbraw/zinc/00/11/62/1008001162.db2.gz KHRLHUWDEDOPRF-INIZCTEOSA-N 1 0 358.394 2.924 20 5 FFBDRO COc1cccc(N2CC[C@@H](C[NH2+]C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000819003148 1008006576 /nfs/dbraw/zinc/00/65/76/1008006576.db2.gz SYAIFTWVUWCSBW-MGPUTAFESA-N 1 0 371.437 2.753 20 5 FFBDRO COc1cccc(N2CC[C@@H]([NH2+]C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000819012089 1008022198 /nfs/dbraw/zinc/02/21/98/1008022198.db2.gz HJBHXQYJYQNHGX-DNVCBOLYSA-N 1 0 357.410 2.505 20 5 FFBDRO CC(=O)N1CC[C@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC000819192466 1008062508 /nfs/dbraw/zinc/06/25/08/1008062508.db2.gz YQPKEXMSTYFWBD-PKOBYXMFSA-N 1 0 355.394 2.716 20 5 FFBDRO Cc1ccc(C2=NO[C@@H](C[NH2+]C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000819292639 1008084898 /nfs/dbraw/zinc/08/48/98/1008084898.db2.gz VDHZROGBVIKMKA-IEBWSBKVSA-N 1 0 355.394 2.719 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H](O)CNc2ccc(CC[NH+]3CCOCC3)cc2)c1 ZINC000819422229 1008144745 /nfs/dbraw/zinc/14/47/45/1008144745.db2.gz SSPQHBFRHFLHJP-HXUWFJFHSA-N 1 0 371.437 2.615 20 5 FFBDRO COc1cc(C[NH2+]C[C@@H]2COC3(CCCCCC3)O2)c([N+](=O)[O-])cc1O ZINC000776959574 1008202300 /nfs/dbraw/zinc/20/23/00/1008202300.db2.gz OUWAYMIPDATKEU-CQSZACIVSA-N 1 0 366.414 2.865 20 5 FFBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)cc1[N+](=O)[O-] ZINC000116126819 1008369175 /nfs/dbraw/zinc/36/91/75/1008369175.db2.gz XRWAOXYBOUCVSK-HNNXBMFYSA-N 1 0 366.418 2.908 20 5 FFBDRO C[NH+](C)C1CCN(CCNC(=O)c2cc([N+](=O)[O-])cc3ccccc32)CC1 ZINC000859883404 1008706821 /nfs/dbraw/zinc/70/68/21/1008706821.db2.gz AECINOHUXLLEPS-UHFFFAOYSA-N 1 0 370.453 2.504 20 5 FFBDRO CCC1([NH+]2CCC2)CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000886712914 1008838608 /nfs/dbraw/zinc/83/86/08/1008838608.db2.gz PGUYRFXXDPWOAD-UHFFFAOYSA-N 1 0 360.458 2.508 20 5 FFBDRO CCC1([NH+]2CCC2)CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000886714746 1008840738 /nfs/dbraw/zinc/84/07/38/1008840738.db2.gz SXXBIPGNYFGPJX-UHFFFAOYSA-N 1 0 360.458 2.874 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886950227 1008955940 /nfs/dbraw/zinc/95/59/40/1008955940.db2.gz HWHTYRFJAMEMMB-GOSISDBHSA-N 1 0 362.430 2.991 20 5 FFBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N(C)C3CC[NH2+]CC3)cc2[N+](=O)[O-])C1 ZINC000125493363 1009197402 /nfs/dbraw/zinc/19/74/02/1009197402.db2.gz CNEFRWFIABXKOJ-GASCZTMLSA-N 1 0 374.485 2.901 20 5 FFBDRO C[C@@]1(NC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CC[N@H+](Cc2ccccc2)C1 ZINC000823921527 1009282955 /nfs/dbraw/zinc/28/29/55/1009282955.db2.gz WQDGNGLQPKZSML-LJQANCHMSA-N 1 0 369.425 2.963 20 5 FFBDRO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000130600810 1009352283 /nfs/dbraw/zinc/35/22/83/1009352283.db2.gz QILUOPAPUCFFIS-RDJZCZTQSA-N 1 0 360.414 2.512 20 5 FFBDRO COc1cccc(OC)c1C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001179937540 1009498345 /nfs/dbraw/zinc/49/83/45/1009498345.db2.gz MOZOCRHFMOAADY-CYBMUJFWSA-N 1 0 358.398 2.693 20 5 FFBDRO C[N@@H+]1C[C@@H]2CN(C(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)C[C@]2(C)C1 ZINC000887927828 1009683298 /nfs/dbraw/zinc/68/32/98/1009683298.db2.gz KWIMPKXLNYWHBO-QRQCRPRQSA-N 1 0 361.445 2.705 20 5 FFBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC000889158582 1009843909 /nfs/dbraw/zinc/84/39/09/1009843909.db2.gz OTZNPRPDFSQIRI-MLGOLLRUSA-N 1 0 356.426 2.742 20 5 FFBDRO CCOC(=O)C1=CC[C@@H]([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000862486835 1009855952 /nfs/dbraw/zinc/85/59/52/1009855952.db2.gz IJYKCBKAKKKHBK-MRXNPFEDSA-N 1 0 370.409 2.737 20 5 FFBDRO O=C(CCCC[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)OCc1ccccc1 ZINC001180802177 1009862392 /nfs/dbraw/zinc/86/23/92/1009862392.db2.gz NKICGMHWTGYLNK-UHFFFAOYSA-N 1 0 372.425 2.998 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1C ZINC000889655344 1010042093 /nfs/dbraw/zinc/04/20/93/1010042093.db2.gz KKDIHSINUNJAOF-HLLBOEOZSA-N 1 0 361.442 2.535 20 5 FFBDRO CCCC[NH+]1CCC(N2C(=O)N[C@@](C)(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000863503330 1010229840 /nfs/dbraw/zinc/22/98/40/1010229840.db2.gz FVTFVXSHUXAQJS-IBGZPJMESA-N 1 0 374.441 2.626 20 5 FFBDRO CC[C@H]1CCCC[N@@H+]1CCN1C(=O)N[C@@](C)(c2cccc([N+](=O)[O-])c2)C1=O ZINC000863504691 1010231313 /nfs/dbraw/zinc/23/13/13/1010231313.db2.gz XKSFXMWPEZTFFY-KXBFYZLASA-N 1 0 374.441 2.626 20 5 FFBDRO CN(CCCOc1ccccc1)Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000794621101 1010443612 /nfs/dbraw/zinc/44/36/12/1010443612.db2.gz TVXFVPAEVZSVHC-UHFFFAOYSA-N 1 0 357.366 2.861 20 5 FFBDRO COc1ccccc1[C@H](O)C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000774134013 1010487581 /nfs/dbraw/zinc/48/75/81/1010487581.db2.gz KACCUZCUNLHICD-ARFHVFGLSA-N 1 0 360.414 2.607 20 5 FFBDRO C[C@@H](C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)CC1(C)OCCO1 ZINC000866426821 1010991979 /nfs/dbraw/zinc/99/19/79/1010991979.db2.gz DZPTWVDDHZYOCH-RHSMWYFYSA-N 1 0 374.441 2.797 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ncn(C[N@@H+]3CCC[C@@H](C[C@H]4CCOC4)C3)n2)cc1 ZINC000773267717 1011006004 /nfs/dbraw/zinc/00/60/04/1011006004.db2.gz VFCMKUPLRCLRQM-JKSUJKDBSA-N 1 0 371.441 2.949 20 5 FFBDRO CCCc1[nH]nc(C(=O)OCC[N@H+](C)Cc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000796259497 1011548656 /nfs/dbraw/zinc/54/86/56/1011548656.db2.gz LJBJAJAUDDRVMT-UHFFFAOYSA-N 1 0 364.377 2.698 20 5 FFBDRO CCC(=O)c1ccc(N2CCC[N@H+](C[C@@H]3CCCO3)CC2)c([N+](=O)[O-])c1 ZINC000795074019 1011756052 /nfs/dbraw/zinc/75/60/52/1011756052.db2.gz IBJCHQMHPXEJBC-INIZCTEOSA-N 1 0 361.442 2.879 20 5 FFBDRO Cn1c(=O)ccc2c1CC[C@H]([NH2+][C@H]1CCc3ccc([N+](=O)[O-])cc3CC1)C2 ZINC001172898953 1012072662 /nfs/dbraw/zinc/07/26/62/1012072662.db2.gz JXPAVGJAPAAIEX-ROUUACIJSA-N 1 0 367.449 2.688 20 5 FFBDRO COC[C@@H]1Cn2nccc2C[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172909139 1012074981 /nfs/dbraw/zinc/07/49/81/1012074981.db2.gz GMOSGWVORWQREV-YJBOKZPZSA-N 1 0 370.453 2.817 20 5 FFBDRO CN1CCC2(CC[NH+]([C@@H]3CCc4ccc([N+](=O)[O-])cc4CC3)CC2)C1=O ZINC001172921391 1012102415 /nfs/dbraw/zinc/10/24/15/1012102415.db2.gz PRPSJWMOQGUNCE-QGZVFWFLSA-N 1 0 357.454 2.787 20 5 FFBDRO C[C@H]1C[N@@H+](C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)CC[C@]1(C)O ZINC001173009261 1012175994 /nfs/dbraw/zinc/17/59/94/1012175994.db2.gz ANYPJDBSCVRIHW-SGTLLEGYSA-N 1 0 369.412 2.935 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH2+]CCn3cccc3)CC2)c(F)c1 ZINC001173011799 1012182252 /nfs/dbraw/zinc/18/22/52/1012182252.db2.gz KCRJTWQKFMTRCL-UHFFFAOYSA-N 1 0 350.369 2.933 20 5 FFBDRO CC[C@H]1COCC[N@@H+]1C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173015448 1012187112 /nfs/dbraw/zinc/18/71/12/1012187112.db2.gz QPBDWYCMPCSICQ-LBPRGKRZSA-N 1 0 355.385 2.953 20 5 FFBDRO CC(=O)[C@H]1CC[N@@H+](C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)C1 ZINC001173018827 1012188671 /nfs/dbraw/zinc/18/86/71/1012188671.db2.gz FVKDKGXHBOEIAH-LBPRGKRZSA-N 1 0 353.369 2.753 20 5 FFBDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)c2cc(F)cc3c2[nH]c2ccc(F)cc2c3=O)C1 ZINC000646954872 1012299579 /nfs/dbraw/zinc/29/95/79/1012299579.db2.gz DIQLZRNJIQEFLV-MNOVXSKESA-N 1 0 371.387 2.769 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]Cc2cn(CCF)cn2)c1F ZINC001173177815 1012319141 /nfs/dbraw/zinc/31/91/41/1012319141.db2.gz DVYDFCGRDLJWTH-NSHDSACASA-N 1 0 354.357 2.629 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@H]2CCCC3(C2)OCCO3)c1F ZINC001173178587 1012321648 /nfs/dbraw/zinc/32/16/48/1012321648.db2.gz CKXGNFOYBHWGFV-STQMWFEESA-N 1 0 368.405 2.949 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]Cc2cncn2CCF)c1F ZINC001173180233 1012324251 /nfs/dbraw/zinc/32/42/51/1012324251.db2.gz PZPAFFPCMXRQDH-LLVKDONJSA-N 1 0 354.357 2.629 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CC[NH+](CC(C)C)CC2)c1F ZINC001173183582 1012326313 /nfs/dbraw/zinc/32/63/13/1012326313.db2.gz ADZQHFWDJNCYIK-AWEZNQCLSA-N 1 0 353.438 2.947 20 5 FFBDRO COc1cnccc1CC[NH2+][C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173184434 1012329367 /nfs/dbraw/zinc/32/93/67/1012329367.db2.gz NECWRNGXAXYHOE-LBPRGKRZSA-N 1 0 363.389 2.909 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]Cc2cccc(C(N)=O)c2)c1F ZINC001173193248 1012335257 /nfs/dbraw/zinc/33/52/57/1012335257.db2.gz UCOIDFLVVCSGLW-LLVKDONJSA-N 1 0 361.373 2.562 20 5 FFBDRO COC(=O)C[C@H]1CCC[N@@H+]([C@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C1 ZINC001173198015 1012342113 /nfs/dbraw/zinc/34/21/13/1012342113.db2.gz XLHNYBCZBGNHFY-CHWSQXEVSA-N 1 0 368.405 2.949 20 5 FFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCN(Cc2ccccc2)[C@H](CO)C1 ZINC001173224444 1012358811 /nfs/dbraw/zinc/35/88/11/1012358811.db2.gz FWOVRMCFNQYBJR-UTKZUKDTSA-N 1 0 369.465 2.705 20 5 FFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1C[C@H]2CN(C(=O)c3ccco3)C[C@@H]2C1 ZINC001173226185 1012362005 /nfs/dbraw/zinc/36/20/05/1012362005.db2.gz LBQVVCULMUJDJX-PVAVHDDUSA-N 1 0 369.421 2.823 20 5 FFBDRO COc1ccnc(O[C@H]2CCC[N@@H+]([C@@H](C)Cc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC001173237405 1012381796 /nfs/dbraw/zinc/38/17/96/1012381796.db2.gz JCIWXWOGPJNBGO-YOEHRIQHSA-N 1 0 372.425 2.868 20 5 FFBDRO Cc1cc(N([C@H](C)Cc2ccc([N+](=O)[O-])cc2)C2CC[NH2+]CC2)ncn1 ZINC001173237461 1012384266 /nfs/dbraw/zinc/38/42/66/1012384266.db2.gz KDGMJMQFHYEOEC-OAHLLOKOSA-N 1 0 355.442 2.883 20 5 FFBDRO C[C@]([NH3+])(C(=O)N[C@H]1C[C@H]1c1c(F)cccc1F)c1cccc([N+](=O)[O-])c1 ZINC000870888899 1012621931 /nfs/dbraw/zinc/62/19/31/1012621931.db2.gz UALMVAASHQJYQB-HNJNHCNJSA-N 1 0 361.348 2.719 20 5 FFBDRO CCCCCC[NH2+]C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001173690091 1012901733 /nfs/dbraw/zinc/90/17/33/1012901733.db2.gz LCQXTABYDFTHQT-UHFFFAOYSA-N 1 0 369.487 2.918 20 5 FFBDRO C[N@H+](CC(C)(C)C)C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001173699016 1012902045 /nfs/dbraw/zinc/90/20/45/1012902045.db2.gz YHOHSYNKFGMMLK-UHFFFAOYSA-N 1 0 369.487 2.726 20 5 FFBDRO Cc1c(C(=O)NCC2([NH+](C)C)CCCC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000748711780 1017560127 /nfs/dbraw/zinc/56/01/27/1017560127.db2.gz OXGWTUWZZHRDBW-UHFFFAOYSA-N 1 0 364.402 2.724 20 5 FFBDRO O=C(CC[N@H+]1CC[C@@](O)(c2ccc(F)cc2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000777734470 1019202401 /nfs/dbraw/zinc/20/24/01/1019202401.db2.gz QQKCVIXECSOSEP-IBGZPJMESA-N 1 0 373.384 2.656 20 5 FFBDRO C[C@@H](NC(=O)c1cc([N+](=O)[O-])c(F)cc1N)[C@@H](c1ccccc1)[NH+](C)C ZINC000801952414 1019535783 /nfs/dbraw/zinc/53/57/83/1019535783.db2.gz WEXVLBVKNZBLQF-DIFFPNOSSA-N 1 0 360.389 2.737 20 5 FFBDRO Cn1nccc1C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000802008042 1019615711 /nfs/dbraw/zinc/61/57/11/1019615711.db2.gz VMXPBXKDRDYSFI-KTWXZFIHSA-N 1 0 356.426 2.772 20 5 FFBDRO O=[N+]([O-])c1ccccc1C[N@@H+](CCC1OCCCO1)[C@H]1CC[C@H](O)CC1 ZINC000828806852 1032848521 /nfs/dbraw/zinc/84/85/21/1032848521.db2.gz DWICLCOFUAQSHG-QAQDUYKDSA-N 1 0 364.442 2.853 20 5 FFBDRO N[C@@H]1c2ccccc2C[C@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000902438984 1020200242 /nfs/dbraw/zinc/20/02/42/1020200242.db2.gz PTLQWIPZKAEORW-WOJBJXKFSA-N 1 0 352.438 2.778 20 5 FFBDRO COc1cc(CN2CC[C@@H]([NH+](C)C)[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000931043914 1020296896 /nfs/dbraw/zinc/29/68/96/1020296896.db2.gz RQLOUFSPFVWZHP-WCQYABFASA-N 1 0 373.400 2.772 20 5 FFBDRO O=C(NC[C@H]1CC[C@H](C[NH2+]CC2CC3(CCC3)C2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001048607845 1020352100 /nfs/dbraw/zinc/35/21/00/1020352100.db2.gz NSJDMAIYBSRDTP-JOCBIADPSA-N 1 0 363.502 2.744 20 5 FFBDRO O=[N+]([O-])c1cn(CN2CC[C@H](Cc3nccs3)C2)nc1-c1ccncc1 ZINC000902650243 1020375015 /nfs/dbraw/zinc/37/50/15/1020375015.db2.gz YOQQOMFDEDYICS-CYBMUJFWSA-N 1 0 370.438 2.832 20 5 FFBDRO COc1cc([C@H](C)[NH2+]CCN2C[C@H]3CCCCN3C2=O)cc([N+](=O)[O-])c1 ZINC000903204868 1020737272 /nfs/dbraw/zinc/73/72/72/1020737272.db2.gz XJLJLVFYICHYSC-DZGCQCFKSA-N 1 0 362.430 2.544 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@@]2(c3ccccc3)C[C@@H](O)C2)n1 ZINC000903271844 1020772229 /nfs/dbraw/zinc/77/22/29/1020772229.db2.gz PCERYSMJUJWLCC-GNBUJSLZSA-N 1 0 370.453 2.957 20 5 FFBDRO Cc1csc(C[C@@H]2CCN(CC(=O)N(C)c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000933134141 1020960910 /nfs/dbraw/zinc/96/09/10/1020960910.db2.gz LCDLSNDGWAHYPJ-AWEZNQCLSA-N 1 0 374.466 2.887 20 5 FFBDRO CCN1C[C@H](C[N@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)Oc2ccccc21 ZINC000749663470 1021017638 /nfs/dbraw/zinc/01/76/38/1021017638.db2.gz FUEGTQJNDFHKSF-HKUYNNGSSA-N 1 0 371.437 2.848 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CC2(c3ccccc3)CCOCC2)c1 ZINC000749671372 1021019011 /nfs/dbraw/zinc/01/90/11/1021019011.db2.gz NTNXSEDTEDHZDV-LJQANCHMSA-N 1 0 356.422 2.966 20 5 FFBDRO Cc1nn(CN2CCC([NH+]3CCCCC3)CC2)c2ncc([N+](=O)[O-])cc12 ZINC000749944426 1021154156 /nfs/dbraw/zinc/15/41/56/1021154156.db2.gz LONQIWZZPMIPOY-UHFFFAOYSA-N 1 0 358.446 2.556 20 5 FFBDRO COc1ccc([C@H]2CCC[N@@H+]2C[C@@H](O)COc2cccc([N+](=O)[O-])c2)nc1 ZINC000934344944 1021204405 /nfs/dbraw/zinc/20/44/05/1021204405.db2.gz IFFOIBUUSGZDKV-DNVCBOLYSA-N 1 0 373.409 2.575 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H](Oc1cccc(CN3CC[NH2+]CC3)c1)C2 ZINC001218045413 1032969861 /nfs/dbraw/zinc/96/98/61/1032969861.db2.gz LFYKGSKTVVXCLM-FQEVSTJZSA-N 1 0 353.422 2.546 20 5 FFBDRO Cc1ccc(C(=O)c2cc(O)c(O[C@@H]3C[NH2+][C@H](C)C3)c([N+](=O)[O-])c2)cc1 ZINC001218046726 1032969878 /nfs/dbraw/zinc/96/98/78/1032969878.db2.gz UNSZIZRZWVYYGY-DOMZBBRYSA-N 1 0 356.378 2.969 20 5 FFBDRO O=C(C[N@@H+]1CCCC[C@@H]([C@@H]2CCOC2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000934840510 1021424347 /nfs/dbraw/zinc/42/43/47/1021424347.db2.gz FXJOBENBFZHDIU-IAGOWNOFSA-N 1 0 373.453 2.623 20 5 FFBDRO O=C(C[N@@H+]1CCCC[C@@H]([C@H]2CCOC2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000934841629 1021426091 /nfs/dbraw/zinc/42/60/91/1021426091.db2.gz NBCALIFUCPDXJQ-SJORKVTESA-N 1 0 373.453 2.623 20 5 FFBDRO CC[NH+](CC)Cc1cccc(CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000043274273 1022222255 /nfs/dbraw/zinc/22/22/55/1022222255.db2.gz CQVLVMRIYOYCHS-UHFFFAOYSA-N 1 0 356.426 2.949 20 5 FFBDRO COc1cc(C[N@@H+]2CC[C@H](CNC(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000778942694 1022556026 /nfs/dbraw/zinc/55/60/26/1022556026.db2.gz PPHBSGMHLJCXJR-CQSZACIVSA-N 1 0 365.430 2.950 20 5 FFBDRO CCC1([NH+]2CCC2)CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC001119375351 1022718356 /nfs/dbraw/zinc/71/83/56/1022718356.db2.gz OWQZCECYHCDJRD-UHFFFAOYSA-N 1 0 367.471 2.542 20 5 FFBDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)C1 ZINC001119385365 1022729035 /nfs/dbraw/zinc/72/90/35/1022729035.db2.gz LJHQTHAZZIDUET-CQSZACIVSA-N 1 0 368.409 2.699 20 5 FFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(C1)CC[NH+](CCC1CCCCC1)CC2 ZINC001040700312 1022954316 /nfs/dbraw/zinc/95/43/16/1022954316.db2.gz LXNHEFPKGQZOSY-QZTJIDSGSA-N 1 0 363.502 2.937 20 5 FFBDRO COC(=O)Cc1ccccc1C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000751953335 1022992897 /nfs/dbraw/zinc/99/28/97/1022992897.db2.gz DIIHWZOCKAOUFR-UHFFFAOYSA-N 1 0 369.421 2.633 20 5 FFBDRO C/C(=C\C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000752029343 1023028521 /nfs/dbraw/zinc/02/85/21/1023028521.db2.gz DPJZJZSKFKIQSY-DUVHGLKDSA-N 1 0 361.442 2.567 20 5 FFBDRO [NH3+]CCCN(CC(F)(F)F)C(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC001122214696 1023119376 /nfs/dbraw/zinc/11/93/76/1023119376.db2.gz PEJHHTLDFYYKDM-UHFFFAOYSA-N 1 0 367.755 2.921 20 5 FFBDRO C[NH2+][C@H](CNC(=O)c1cc(SC)ccc1[N+](=O)[O-])Cc1ccccc1 ZINC001122261350 1023153010 /nfs/dbraw/zinc/15/30/10/1023153010.db2.gz SKECCXLCNKHHKH-AWEZNQCLSA-N 1 0 359.451 2.877 20 5 FFBDRO COc1ccc(OCC[N@H+](C)C[C@]2(O)CCc3ccccc32)c([N+](=O)[O-])c1 ZINC000829338016 1033110034 /nfs/dbraw/zinc/11/00/34/1033110034.db2.gz PHCQVXDYKUCFDB-HXUWFJFHSA-N 1 0 372.421 2.748 20 5 FFBDRO CCn1c(CC[NH3+])nnc1Sc1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001120545809 1023355954 /nfs/dbraw/zinc/35/59/54/1023355954.db2.gz IEZRJRJFOACJJQ-UHFFFAOYSA-N 1 0 361.349 2.877 20 5 FFBDRO O=[N+]([O-])c1cccc(I)c1O[C@@H]1C[NH2+]CCC12CC2 ZINC001218402695 1033139826 /nfs/dbraw/zinc/13/98/26/1033139826.db2.gz DUXSLAGRAXSGSI-LLVKDONJSA-N 1 0 374.178 2.720 20 5 FFBDRO O=[N+]([O-])c1ccc(I)cc1O[C@@H]1C[NH2+]CCC12CC2 ZINC001218405262 1033139834 /nfs/dbraw/zinc/13/98/34/1033139834.db2.gz OQGBYLYSEWTTPM-GFCCVEGCSA-N 1 0 374.178 2.720 20 5 FFBDRO Cc1ccc(C(=O)c2cc(O)c(O[C@@H]3[C@@H]4CC[C@H]3[NH2+]C4)c([N+](=O)[O-])c2)cc1 ZINC001218444310 1033158972 /nfs/dbraw/zinc/15/89/72/1033158972.db2.gz KUSFPNIGKJXRFF-ZXYWRSMDSA-N 1 0 368.389 2.969 20 5 FFBDRO COC1CC[NH+](C(C)(C)CNC(=O)Nc2cc(C)cc([N+](=O)[O-])c2)CC1 ZINC001123358802 1023760844 /nfs/dbraw/zinc/76/08/44/1023760844.db2.gz CQBUFYZDGRHRCP-UHFFFAOYSA-N 1 0 364.446 2.914 20 5 FFBDRO CC(C)(C)OC(=O)c1ccc(O[C@@H]2C[NH2+]CCC2(F)F)c([N+](=O)[O-])c1 ZINC001218450906 1033161575 /nfs/dbraw/zinc/16/15/75/1033161575.db2.gz ABIVCHVVHHQOIU-CYBMUJFWSA-N 1 0 358.341 2.926 20 5 FFBDRO CCC[C@@H]1CCC[N@H+](CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000757612863 1023838036 /nfs/dbraw/zinc/83/80/36/1023838036.db2.gz WHNPRYGZLMHZNF-CQSZACIVSA-N 1 0 360.414 2.833 20 5 FFBDRO O=[N+]([O-])c1ccc(I)cc1O[C@@H]1CC[C@H]2C[NH2+]C[C@H]21 ZINC001218463266 1033168731 /nfs/dbraw/zinc/16/87/31/1033168731.db2.gz ZSYQARUEPQBXDJ-MKPLZMMCSA-N 1 0 374.178 2.576 20 5 FFBDRO COC(=O)c1cc(Br)c(O[C@H]2C[NH2+]CC[C@H]2C)c([N+](=O)[O-])c1 ZINC001218481512 1033174907 /nfs/dbraw/zinc/17/49/07/1033174907.db2.gz LILGCXSXQWCREE-PELKAZGASA-N 1 0 373.203 2.521 20 5 FFBDRO Cc1csc(Sc2ccc(C(=O)NOC[C@H](C)[NH3+])cc2[N+](=O)[O-])n1 ZINC001122102858 1024338827 /nfs/dbraw/zinc/33/88/27/1024338827.db2.gz ZSVRCONUAJBWJV-QMMMGPOBSA-N 1 0 368.440 2.520 20 5 FFBDRO Cc1c(C(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000837186310 1025640537 /nfs/dbraw/zinc/64/05/37/1025640537.db2.gz PNEZJHGPDGODAA-CYBMUJFWSA-N 1 0 364.402 2.675 20 5 FFBDRO C[N@H+](CCOC(=O)COc1ccc([N+](=O)[O-])c(F)c1)Cc1ccccc1 ZINC000837478122 1025837126 /nfs/dbraw/zinc/83/71/26/1025837126.db2.gz UQMOJIPFZXWEJG-UHFFFAOYSA-N 1 0 362.357 2.788 20 5 FFBDRO O=[N+]([O-])c1ccnn1CN1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000246999945 1026608693 /nfs/dbraw/zinc/60/86/93/1026608693.db2.gz KQBAMIQRLUYGQL-QZTJIDSGSA-N 1 0 355.442 2.735 20 5 FFBDRO O=C1C[C@]2(CCN(C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)Oc2ccccc21 ZINC000839644081 1026771662 /nfs/dbraw/zinc/77/16/62/1026771662.db2.gz NTSPQZITMYPWFF-ICSRJNTNSA-N 1 0 368.389 2.738 20 5 FFBDRO CO[C@H]1C[C@H]([N@H+](C)Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C12CCC2 ZINC000840141754 1026981315 /nfs/dbraw/zinc/98/13/15/1026981315.db2.gz RXESDQZACNVNBU-HOTGVXAUSA-N 1 0 357.414 2.700 20 5 FFBDRO COC(=O)c1cccc([C@H]2C[NH2+]CCN2c2ncc([N+](=O)[O-])c(C)c2C)c1 ZINC001159053492 1027248546 /nfs/dbraw/zinc/24/85/46/1027248546.db2.gz DBKBBZWHHNQEJS-QGZVFWFLSA-N 1 0 370.409 2.544 20 5 FFBDRO COc1ncnc(N[C@@H](Cc2ccccc2)C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC001159654634 1027456911 /nfs/dbraw/zinc/45/69/11/1027456911.db2.gz ZAQBHNRAODZILP-HNNXBMFYSA-N 1 0 357.414 2.512 20 5 FFBDRO O=C(NCCC1=CC[N@H+](CC2CCC3(CC3)CC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001160107765 1027595949 /nfs/dbraw/zinc/59/59/49/1027595949.db2.gz SMHDKFKUWKYAHV-QZTJIDSGSA-N 1 0 361.486 2.760 20 5 FFBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000795707496 1027895439 /nfs/dbraw/zinc/89/54/39/1027895439.db2.gz NXEZIYZVJRPBET-HNAYVOBHSA-N 1 0 355.442 2.974 20 5 FFBDRO COCCC1([NH3+])CCN(C(=O)c2cccc3nc4ccccc4nc32)CC1 ZINC001153873104 1028036239 /nfs/dbraw/zinc/03/62/39/1028036239.db2.gz VTPCGNCGNLMLQZ-UHFFFAOYSA-N 1 0 364.449 2.753 20 5 FFBDRO O=C(Nc1ccc(Nc2cc[nH+]cc2)cc1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC001161584327 1028240281 /nfs/dbraw/zinc/24/02/81/1028240281.db2.gz ZNFQOHWLTOCFFC-UHFFFAOYSA-N 1 0 351.322 2.508 20 5 FFBDRO C[NH+](C)CCOc1cc(NCCc2ccc3c(c2)OCO3)ccc1[N+](=O)[O-] ZINC001162087946 1028426872 /nfs/dbraw/zinc/42/68/72/1028426872.db2.gz WZDQXSLKFGLDSI-UHFFFAOYSA-N 1 0 373.409 2.919 20 5 FFBDRO [NH3+][C@@H]1CCC[C@H](Nc2ncccc2NC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC001162393664 1028528170 /nfs/dbraw/zinc/52/81/70/1028528170.db2.gz WIUSLGAMPPKOMT-OLZOCXBDSA-N 1 0 355.398 2.924 20 5 FFBDRO CCC(CC)C[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001162811060 1028664308 /nfs/dbraw/zinc/66/43/08/1028664308.db2.gz YZCLODDEMUUSKU-RTBURBONSA-N 1 0 361.486 2.749 20 5 FFBDRO O=[N+]([O-])c1c(Cl)ccc2nc(NCC[C@H]3CCOC34C[NH2+]C4)ccc21 ZINC001155478626 1028755458 /nfs/dbraw/zinc/75/54/58/1028755458.db2.gz VWPGGDMLBWDTLJ-NSHDSACASA-N 1 0 362.817 2.977 20 5 FFBDRO CCOC(=O)c1cnc(N[C@@H]2CC[NH2+][C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC001163206323 1028841557 /nfs/dbraw/zinc/84/15/57/1028841557.db2.gz IVCZSSUSYYKQIV-ZBFHGGJFSA-N 1 0 356.382 2.682 20 5 FFBDRO O=C1C[C@H]2[NH2+]CC[C@]2(Nc2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)N1 ZINC001163250297 1028854972 /nfs/dbraw/zinc/85/49/72/1028854972.db2.gz NCSSGQPKIONSRV-AEFFLSMTSA-N 1 0 370.434 2.736 20 5 FFBDRO CSc1nc(Cl)c([N+](=O)[O-])c(NC[C@@H]2Cc3ccccc3C[NH2+]2)n1 ZINC001163272738 1028866999 /nfs/dbraw/zinc/86/69/99/1028866999.db2.gz RQLIYWYMJRNFIE-NSHDSACASA-N 1 0 365.846 2.887 20 5 FFBDRO COc1cccc([C@@H](C[NH3+])Nc2ncnc3cc(OC)c([N+](=O)[O-])cc32)c1 ZINC001163310518 1028887634 /nfs/dbraw/zinc/88/76/34/1028887634.db2.gz YYLNOCSHJKPYQX-OAHLLOKOSA-N 1 0 369.381 2.667 20 5 FFBDRO N=c1nc([C@H]2CCC[NH2+]2)ccn1C(=O)c1ccnc2c1ccc1cccnc12 ZINC001155809251 1028923215 /nfs/dbraw/zinc/92/32/15/1028923215.db2.gz BFMQGBKOCIEPCH-MRXNPFEDSA-N 1 0 370.416 2.572 20 5 FFBDRO [NH3+]CCCC[C@H](Nc1ncc([N+](=O)[O-])c2ccccc21)C(=O)N1CCCC1 ZINC001163456696 1028931411 /nfs/dbraw/zinc/93/14/11/1028931411.db2.gz JQESEPCVGIMKKI-INIZCTEOSA-N 1 0 371.441 2.675 20 5 FFBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(-n2c(C)c(C)c3cc(C[NH3+])ccc32)n1 ZINC001155907322 1028968720 /nfs/dbraw/zinc/96/87/20/1028968720.db2.gz UYWBPFFTVCJQEC-UHFFFAOYSA-N 1 0 368.397 2.671 20 5 FFBDRO CC(C)C[C@H](Nc1ccc(F)cc1[N+](=O)[O-])C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC001163604293 1028985513 /nfs/dbraw/zinc/98/55/13/1028985513.db2.gz ACGVYWHVKJHEBK-HOCLYGCPSA-N 1 0 366.437 2.723 20 5 FFBDRO N=c1cc(C[NH3+])ccn1C(=O)c1cc(=S)cc2[nH]c3ccccc3nc1-2 ZINC001155997241 1029005928 /nfs/dbraw/zinc/00/59/28/1029005928.db2.gz TVKJLYPQMATABX-UHFFFAOYSA-N 1 0 361.430 2.825 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(Nc2cnn(C3CC[NH+](C)CC3)c2)c1 ZINC001163915015 1029115515 /nfs/dbraw/zinc/11/55/15/1029115515.db2.gz OXKRNGXFCFZCQZ-UHFFFAOYSA-N 1 0 359.386 2.588 20 5 FFBDRO CC(=O)Nc1cc(N(CCC[NH3+])C(C)C)c([N+](=O)[O-])cc1Br ZINC001164128635 1029179814 /nfs/dbraw/zinc/17/98/14/1029179814.db2.gz AARNCAVLVYIEDM-UHFFFAOYSA-N 1 0 373.251 2.879 20 5 FFBDRO CCOC(=O)c1ccnc(NCC2CC[NH+](C(C)C)CC2)c1[N+](=O)[O-] ZINC001156502839 1029222243 /nfs/dbraw/zinc/22/22/43/1029222243.db2.gz YHKCKGKWCRXCEB-UHFFFAOYSA-N 1 0 350.419 2.699 20 5 FFBDRO Cc1c[n+]([O-])c(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)cc1[N+](=O)[O-] ZINC001164485322 1029294088 /nfs/dbraw/zinc/29/40/88/1029294088.db2.gz IJLQOCDLZVBTQD-FGTMMUONSA-N 1 0 368.437 2.859 20 5 FFBDRO O=[N+]([O-])c1cc[n+]([O-])c(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)c1F ZINC001164486909 1029295158 /nfs/dbraw/zinc/29/51/58/1029295158.db2.gz SLRVCGFQLLCNQW-BZUAXINKSA-N 1 0 372.400 2.690 20 5 FFBDRO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1N(C)c1ccc([N+](=O)[O-])c(N)n1 ZINC001165180455 1029435615 /nfs/dbraw/zinc/43/56/15/1029435615.db2.gz AXOVQHZQXBIURK-RHSMWYFYSA-N 1 0 355.442 2.919 20 5 FFBDRO CC(C)(C)OC(=O)[C@H](CCCC[NH3+])Nc1cc([N+](=O)[O-])cc(Cl)n1 ZINC001157165733 1029488269 /nfs/dbraw/zinc/48/82/69/1029488269.db2.gz PYOJPKIQGBDMGK-NSHDSACASA-N 1 0 358.826 2.894 20 5 FFBDRO O=C(CC[N@@H+]1CCC[C@H]([C@H]2CCOC2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000782526166 1029732680 /nfs/dbraw/zinc/73/26/80/1029732680.db2.gz HQSNWAAABQPTGK-KBPBESRZSA-N 1 0 365.405 2.811 20 5 FFBDRO O=C(CC[N@@H+]1CCC[C@@H]1C1CCOCC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000782532232 1029733976 /nfs/dbraw/zinc/73/39/76/1029733976.db2.gz ZTGYDJMNIWGFQS-QGZVFWFLSA-N 1 0 365.405 2.954 20 5 FFBDRO Cc1nc2c(n1-c1nc3ccccc3c(Cl)c1[N+](=O)[O-])CC[NH2+]CC2 ZINC001165352566 1029954327 /nfs/dbraw/zinc/95/43/27/1029954327.db2.gz CLNHKXJQOKHTKZ-UHFFFAOYSA-N 1 0 357.801 2.979 20 5 FFBDRO Cc1cccc(N(c2ccc([N+](=O)[O-])c(N)n2)[C@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001165771791 1030119141 /nfs/dbraw/zinc/11/91/41/1030119141.db2.gz FJGKFCXCQQKZQG-BEFAXECRSA-N 1 0 369.425 2.540 20 5 FFBDRO Cc1cnc(N(c2ccccn2)[C@@H]2C[NH2+]C[C@@H]3CCCO[C@H]23)c([N+](=O)[O-])c1 ZINC001166296959 1030349454 /nfs/dbraw/zinc/34/94/54/1030349454.db2.gz DGPHRHKGAZJWMM-LESCRADOSA-N 1 0 369.425 2.598 20 5 FFBDRO COc1nc(-n2c([C@@H]3CCC[NH2+]3)cc3ccccc32)nc(OC)c1[N+](=O)[O-] ZINC001166653689 1030469222 /nfs/dbraw/zinc/46/92/22/1030469222.db2.gz QQYFATKEUQDEJR-LBPRGKRZSA-N 1 0 369.381 2.770 20 5 FFBDRO Cc1cc(-n2ccc([C@H]3CCC[NH2+]3)nc2=N)nc2ccc([N+](=O)[O-])cc12 ZINC001166701245 1030486752 /nfs/dbraw/zinc/48/67/52/1030486752.db2.gz RYQVWIBCZOJUNX-OAHLLOKOSA-N 1 0 350.382 2.541 20 5 FFBDRO CC(C)(NC(=O)NCc1ccc(CC[NH3+])cc1)c1ccccc1[N+](=O)[O-] ZINC000841926279 1030546111 /nfs/dbraw/zinc/54/61/11/1030546111.db2.gz BCVNXXYOHGOITI-UHFFFAOYSA-N 1 0 356.426 2.831 20 5 FFBDRO CCC[NH2+][C@H]1CCc2c(sc(=N)n2-c2cc(Cl)ncc2[N+](=O)[O-])C1 ZINC001166874966 1030558411 /nfs/dbraw/zinc/55/84/11/1030558411.db2.gz QWQOQKPRSQMSMG-VIFPVBQESA-N 1 0 367.862 2.832 20 5 FFBDRO CC[NH+]1CCN(c2cc(N(C)C(=O)C3CCCC3)cc([N+](=O)[O-])c2)CC1 ZINC001534795195 1069682875 /nfs/dbraw/zinc/68/28/75/1069682875.db2.gz JZHJMCIGDKIRKN-UHFFFAOYSA-N 1 0 360.458 2.890 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CCOC(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000842293541 1030673074 /nfs/dbraw/zinc/67/30/74/1030673074.db2.gz JKHXTHFEIFYXAR-UHFFFAOYSA-N 1 0 372.425 2.943 20 5 FFBDRO O=C(CN1CC[NH2+]C[C@@H]1c1ccccc1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000842479130 1030752639 /nfs/dbraw/zinc/75/26/39/1030752639.db2.gz WYGIDCLSEUKNSG-QGZVFWFLSA-N 1 0 374.828 2.833 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2ncn(C[N@@H+]3CCC[C@@H]3[C@@H]3CCCOC3)n2)c1 ZINC000842616425 1030827145 /nfs/dbraw/zinc/82/71/45/1030827145.db2.gz ORMKIKGISRKJBW-NVXWUHKLSA-N 1 0 357.414 2.702 20 5 FFBDRO COc1cc(C[NH2+]C[C@H]2CCN2C)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC001203770957 1030878075 /nfs/dbraw/zinc/87/80/75/1030878075.db2.gz LNLFZKATNGWDGP-QGZVFWFLSA-N 1 0 371.437 2.976 20 5 FFBDRO COc1cc(C(=O)OC[C@@H]2CCC[N@@H+](C(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000842836191 1030987327 /nfs/dbraw/zinc/98/73/27/1030987327.db2.gz NFGOWKAIDCSGOQ-CYBMUJFWSA-N 1 0 366.414 2.889 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000797517129 1031142075 /nfs/dbraw/zinc/14/20/75/1031142075.db2.gz CADGKMLXMWVDOJ-ZDUSSCGKSA-N 1 0 365.430 2.950 20 5 FFBDRO CC(C)Oc1ccc([C@@H](O)C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000843081221 1031175074 /nfs/dbraw/zinc/17/50/74/1031175074.db2.gz NSSQPDAQIFHUBU-OALUTQOASA-N 1 0 360.410 2.739 20 5 FFBDRO [NH3+][C@H](C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1cccc(Cl)c1 ZINC000843360940 1031351068 /nfs/dbraw/zinc/35/10/68/1031351068.db2.gz ZALVNYPNZUDGOU-KRWDZBQOSA-N 1 0 374.828 2.597 20 5 FFBDRO Cc1c(NC(=O)CCNc2ccc(OCC[NH3+])cc2)cccc1[N+](=O)[O-] ZINC000843366947 1031357766 /nfs/dbraw/zinc/35/77/66/1031357766.db2.gz JOSJBCRHGCURED-UHFFFAOYSA-N 1 0 358.398 2.681 20 5 FFBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1cnn(C2CC[NH2+]CC2)c1 ZINC000843456473 1031413996 /nfs/dbraw/zinc/41/39/96/1031413996.db2.gz UIBRBESPLVEKTG-UHFFFAOYSA-N 1 0 372.429 2.547 20 5 FFBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)Cc3ccc(Cl)c([N+](=O)[O-])c3)CC[C@H]21 ZINC001149656457 1031562275 /nfs/dbraw/zinc/56/22/75/1031562275.db2.gz WCOJVGJCEXQGHH-DZGCQCFKSA-N 1 0 351.834 2.733 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2ncn(C[N@@H+]3CC[C@@H](c4ccccn4)C3)n2)c1 ZINC000799159312 1031674111 /nfs/dbraw/zinc/67/41/11/1031674111.db2.gz YESKYXISGXTQAY-OAHLLOKOSA-N 1 0 350.382 2.695 20 5 FFBDRO O=C(NCC1([NH2+]Cc2ccc(Cl)cc2)CCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001115530722 1031787132 /nfs/dbraw/zinc/78/71/32/1031787132.db2.gz NLUBYZYPZJJSLD-HZPDHXFCSA-N 1 0 365.861 2.914 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccccc1N1CC[NH+](C)CC1 ZINC001115967716 1032039167 /nfs/dbraw/zinc/03/91/67/1032039167.db2.gz YCIWSPSSZUFRPU-UHFFFAOYSA-N 1 0 354.410 2.907 20 5 FFBDRO C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000830535075 1033660741 /nfs/dbraw/zinc/66/07/41/1033660741.db2.gz BFZNFLSCEQEVRV-UHFFFAOYSA-N 1 0 361.373 2.644 20 5 FFBDRO COc1ccc(NC(=O)NC[C@@H]2c3ccccc3CN2C)c([N+](=O)[O-])c1 ZINC001219572372 1033696216 /nfs/dbraw/zinc/69/62/16/1033696216.db2.gz MOZFQKXLBMJIBX-QGZVFWFLSA-N 1 0 356.382 2.912 20 5 FFBDRO O=C(N[C@H]1C[C@H](C[NH2+]C/C=C\c2ccc(Cl)cc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001276977531 1033916886 /nfs/dbraw/zinc/91/68/86/1033916886.db2.gz UVBWPCGMNOQYQD-PYNSWYFLSA-N 1 0 363.845 2.503 20 5 FFBDRO CC1(C)[C@H]([NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@H]2CCCO[C@@H]21 ZINC000831329681 1034038422 /nfs/dbraw/zinc/03/84/22/1034038422.db2.gz XZDBYZIPSJGVGP-JLZZUVOBSA-N 1 0 365.405 2.856 20 5 FFBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc(Br)c2ccccc12 ZINC001226689426 1034789563 /nfs/dbraw/zinc/78/95/63/1034789563.db2.gz DRYFKMUGNVYKCU-GFCCVEGCSA-N 1 0 367.263 2.965 20 5 FFBDRO C[NH+](C)[C@H]1CC[C@H](Oc2ccc3c(c2)oc2cc(=O)ccc-2[n+]3[O-])CC1 ZINC001227452909 1035561691 /nfs/dbraw/zinc/56/16/91/1035561691.db2.gz SIZCRAVWLUXTLD-CTYIDZIISA-N 1 0 354.406 2.783 20 5 FFBDRO Cc1cc(O[C@H]2C[C@@H]3CC(=O)C[C@H]2N3C)c([N+](=O)[O-])cc1Br ZINC001228001124 1035862131 /nfs/dbraw/zinc/86/21/31/1035862131.db2.gz MVDGZMVCMGUZKU-UAKXVISKSA-N 1 0 369.215 2.849 20 5 FFBDRO Cc1cc2[nH]c(OC[C@H]3CCC4(CC[NH+](C)CC4)O3)nc2cc1[N+](=O)[O-] ZINC001228672081 1036244304 /nfs/dbraw/zinc/24/43/04/1036244304.db2.gz PCPAXLVUTLFQRG-CYBMUJFWSA-N 1 0 360.414 2.802 20 5 FFBDRO Cc1[nH]c(=O)cc(OC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c1[N+](=O)[O-] ZINC001228688082 1036257771 /nfs/dbraw/zinc/25/77/71/1036257771.db2.gz DLXOBDSWZCJJJA-INIZCTEOSA-N 1 0 373.409 2.674 20 5 FFBDRO C[N@@H+]1CCC[C@H](Oc2cc(I)ccc2[N+](=O)[O-])C1 ZINC001229151939 1036524958 /nfs/dbraw/zinc/52/49/58/1036524958.db2.gz ITEYAKCHWABAGR-JTQLQIEISA-N 1 0 362.167 2.672 20 5 FFBDRO C[NH+]1CCC2(CC[C@H](COc3cccc([N+](=O)[O-])c3[N+](=O)[O-])O2)CC1 ZINC001233572457 1036683919 /nfs/dbraw/zinc/68/39/19/1036683919.db2.gz CLGMACJIVUGKIE-GFCCVEGCSA-N 1 0 351.359 2.525 20 5 FFBDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1Oc1cc[n+]([O-])cc1[N+](=O)[O-] ZINC001229452999 1036684587 /nfs/dbraw/zinc/68/45/87/1036684587.db2.gz ZHYYLWRETIERTP-GOSISDBHSA-N 1 0 357.410 2.908 20 5 FFBDRO C[NH+](C)CCc1ccc(O[C@H]2CCN(c3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC001229659539 1036808640 /nfs/dbraw/zinc/80/86/40/1036808640.db2.gz ITCNJRLCSIFHIJ-SFHVURJKSA-N 1 0 356.426 2.752 20 5 FFBDRO CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC001536675923 1070033995 /nfs/dbraw/zinc/03/39/95/1070033995.db2.gz MMOSIVGRVNGIJV-INIZCTEOSA-N 1 0 360.458 2.655 20 5 FFBDRO C[N@@H+]1CCc2c(cccc2O[C@H]2CCN(c3ccc([N+](=O)[O-])cn3)C2)C1 ZINC001234423525 1037030605 /nfs/dbraw/zinc/03/06/05/1037030605.db2.gz LVTWXUIWCDMISF-INIZCTEOSA-N 1 0 354.410 2.635 20 5 FFBDRO CCO[C@@H](CNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C[NH+](C)C ZINC001207502519 1037500845 /nfs/dbraw/zinc/50/08/45/1037500845.db2.gz VXIMUGWAVVWYPS-LBPRGKRZSA-N 1 0 350.246 2.958 20 5 FFBDRO CCCC(=O)Nc1c(O[C@H]2C[C@@H]3CC(=O)C[C@H]2N3C)cccc1[N+](=O)[O-] ZINC001231360198 1037548078 /nfs/dbraw/zinc/54/80/78/1037548078.db2.gz YKKZREYZJKWUAA-PEYYIBSZSA-N 1 0 361.398 2.516 20 5 FFBDRO CCOC(=O)C(C)(C)NC1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC001256087410 1038373282 /nfs/dbraw/zinc/37/32/82/1038373282.db2.gz ZYMGMBYMTFEFSA-UHFFFAOYSA-N 1 0 365.430 2.504 20 5 FFBDRO COc1cc(N2CCC([N@@H+]3Cc4cccnc4C3)CC2)ccc1[N+](=O)[O-] ZINC001256095040 1038378646 /nfs/dbraw/zinc/37/86/46/1038378646.db2.gz WFVIDZZEZFDEPJ-UHFFFAOYSA-N 1 0 354.410 2.983 20 5 FFBDRO COc1cc(N2CCC([N@@H+]3CCC[C@H](O)[C@H](C)C3)CC2)ccc1[N+](=O)[O-] ZINC001256093262 1038379064 /nfs/dbraw/zinc/37/90/64/1038379064.db2.gz JAFGXVLEWZGMHG-KDOFPFPSSA-N 1 0 363.458 2.665 20 5 FFBDRO COc1cc(N2CCC([N@@H+]3CCN(C)C(C)(C)C3)CC2)ccc1[N+](=O)[O-] ZINC001256100261 1038383755 /nfs/dbraw/zinc/38/37/55/1038383755.db2.gz CFAJUXNUNLEGBD-UHFFFAOYSA-N 1 0 362.474 2.598 20 5 FFBDRO C[C@H]([NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C(=O)NCC(F)(F)F ZINC001256194658 1038426783 /nfs/dbraw/zinc/42/67/83/1038426783.db2.gz RIQACVABOXYKCL-ZANVPECISA-N 1 0 359.348 2.974 20 5 FFBDRO O=C(c1cccc([N+](=O)[O-])c1)N1C[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC001276649943 1038989439 /nfs/dbraw/zinc/98/94/39/1038989439.db2.gz CGLKKXWCPWACLL-MJGOQNOKSA-N 1 0 351.406 2.941 20 5 FFBDRO C[C@@H]1C[NH+](CCc2nnc(-c3cc(F)c(F)cc3[N+](=O)[O-])o2)C[C@@H](C)O1 ZINC001258136614 1039214668 /nfs/dbraw/zinc/21/46/68/1039214668.db2.gz CBNYXXVSYIIBFN-NXEZZACHSA-N 1 0 368.340 2.575 20 5 FFBDRO Cc1c(-c2nnc(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)o2)cc(F)cc1[N+](=O)[O-] ZINC001258147240 1039229758 /nfs/dbraw/zinc/22/97/58/1039229758.db2.gz XIAAHJCBYSQLAI-PHIMTYICSA-N 1 0 364.377 2.744 20 5 FFBDRO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1Br ZINC001251758672 1039291023 /nfs/dbraw/zinc/29/10/23/1039291023.db2.gz WTLYRQJWGZYNOO-KBPBESRZSA-N 1 0 370.247 2.960 20 5 FFBDRO COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2Cc3ccccc3CN2)c([N+](=O)[O-])c1 ZINC001246282894 1039296414 /nfs/dbraw/zinc/29/64/14/1039296414.db2.gz VOJDFAQBVOLOOD-KDOFPFPSSA-N 1 0 355.438 2.839 20 5 FFBDRO COCCCN([C@@H]1CCC[NH2+]C1)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001246807337 1039487175 /nfs/dbraw/zinc/48/71/75/1039487175.db2.gz JISSIVKFZKXFHD-AZUAARDMSA-N 1 0 361.486 2.933 20 5 FFBDRO C[NH+]1CCN(c2ccc(Nc3cccc([N+](=O)[O-])c3F)cc2CO)CC1 ZINC001210384843 1039513707 /nfs/dbraw/zinc/51/37/07/1039513707.db2.gz YDFNIFPTDWPFDW-UHFFFAOYSA-N 1 0 360.389 2.722 20 5 FFBDRO Cc1nc(-c2noc(C[C@H]([NH3+])Cc3ccc([N+](=O)[O-])cc3)n2)ccc1F ZINC001248213233 1040176340 /nfs/dbraw/zinc/17/63/40/1040176340.db2.gz ATKLAFWHMWNYLY-GFCCVEGCSA-N 1 0 357.345 2.600 20 5 FFBDRO COc1ccc(-c2noc(C[C@@H]([NH3+])c3cccc([N+](=O)[O-])c3)n2)c(OC)c1 ZINC001249278307 1040664996 /nfs/dbraw/zinc/66/49/96/1040664996.db2.gz ZNIARAZUJUHFTB-OAHLLOKOSA-N 1 0 370.365 2.905 20 5 FFBDRO COc1ccc(-c2noc(C[C@@H]([NH3+])c3ccccc3[N+](=O)[O-])n2)cc1OC ZINC001249343413 1040692016 /nfs/dbraw/zinc/69/20/16/1040692016.db2.gz ZTWHTIGUJYUCML-CYBMUJFWSA-N 1 0 370.365 2.905 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@@H](O)c3ccc(O)cc3)CC2)cc1 ZINC001254467009 1040733617 /nfs/dbraw/zinc/73/36/17/1040733617.db2.gz RTOOEXIPNMQDQW-LJQANCHMSA-N 1 0 357.410 2.592 20 5 FFBDRO COc1ccc([C@H](CO)[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC001254468650 1040735154 /nfs/dbraw/zinc/73/51/54/1040735154.db2.gz PNYPPUZIDYPKSE-FQEVSTJZSA-N 1 0 371.437 2.895 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCN3CCC(F)CC3)CC2)cc1 ZINC001254470425 1040737756 /nfs/dbraw/zinc/73/77/56/1040737756.db2.gz VCFRLDOFOBTGMY-UHFFFAOYSA-N 1 0 350.438 2.587 20 5 FFBDRO CC(C)Oc1ccnc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC001254476981 1040742913 /nfs/dbraw/zinc/74/29/13/1040742913.db2.gz YHCLEKWZFXPSJQ-UHFFFAOYSA-N 1 0 371.441 2.931 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCc1ccc(S(C)(=O)=O)cc1 ZINC001254535118 1040785194 /nfs/dbraw/zinc/78/51/94/1040785194.db2.gz HGRMNOUAYKCGAZ-AWEZNQCLSA-N 1 0 362.451 2.762 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCC([NH3+])(Cc2cccnc2)CC1 ZINC001254547832 1040790899 /nfs/dbraw/zinc/79/08/99/1040790899.db2.gz YFTARMGEFNBGFP-INIZCTEOSA-N 1 0 354.454 2.957 20 5 FFBDRO CCn1ncc2c1[C@H](COC)C[N@@H+]([C@@H](C)Cc1ccccc1[N+](=O)[O-])C2 ZINC001254562214 1040799176 /nfs/dbraw/zinc/79/91/76/1040799176.db2.gz PKEIBMREPOFLGQ-YOEHRIQHSA-N 1 0 358.442 2.988 20 5 FFBDRO CCn1ncc2c1[C@@H](COC)C[N@@H+]([C@H](C)Cc1ccccc1[N+](=O)[O-])C2 ZINC001254562212 1040799966 /nfs/dbraw/zinc/79/99/66/1040799966.db2.gz PKEIBMREPOFLGQ-RHSMWYFYSA-N 1 0 358.442 2.988 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCC(NC(=O)c2ccccn2)CC1 ZINC001254570126 1040804453 /nfs/dbraw/zinc/80/44/53/1040804453.db2.gz NCKGLLKFNCIGPT-HNNXBMFYSA-N 1 0 368.437 2.815 20 5 FFBDRO COc1ccnc(OC2CC[NH+]([C@H](C)Cc3ccccc3[N+](=O)[O-])CC2)n1 ZINC001254571636 1040807318 /nfs/dbraw/zinc/80/73/18/1040807318.db2.gz ZJNYXQVSSWLLFC-CQSZACIVSA-N 1 0 372.425 2.868 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CC[NH+](Cc2cccc(N)c2)CC1 ZINC001254571313 1040808400 /nfs/dbraw/zinc/80/84/00/1040808400.db2.gz SFHUEGMJILYJMA-INIZCTEOSA-N 1 0 354.454 2.926 20 5 FFBDRO O=C(CC[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)N1CCc2ccccc21 ZINC001254579557 1040811828 /nfs/dbraw/zinc/81/18/28/1040811828.db2.gz STLZIXIZMLQPBY-QGZVFWFLSA-N 1 0 351.406 2.631 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]Cc1ccccc1N1CCOCC1)C2 ZINC001254584135 1040816105 /nfs/dbraw/zinc/81/61/05/1040816105.db2.gz QABCQDOTNVRPIB-GOSISDBHSA-N 1 0 353.422 2.688 20 5 FFBDRO O=C(NC1CCCC1)N1CCC([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254585669 1040816134 /nfs/dbraw/zinc/81/61/34/1040816134.db2.gz MVFPXWIXLQYYHV-SFHVURJKSA-N 1 0 372.469 2.768 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]C1CCN(Cc3ccncc3)CC1)C2 ZINC001254584242 1040816142 /nfs/dbraw/zinc/81/61/42/1040816142.db2.gz GLGPTLBSBMIYSN-LJQANCHMSA-N 1 0 352.438 2.711 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]Cc1cc(OCC3CCC3)ncn1)C2 ZINC001254586536 1040818959 /nfs/dbraw/zinc/81/89/59/1040818959.db2.gz LJEYOPVSIFITHC-INIZCTEOSA-N 1 0 354.410 2.821 20 5 FFBDRO CCOC[C@H]1C[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)Cc2cn(CC)nc21 ZINC001254597143 1040826800 /nfs/dbraw/zinc/82/68/00/1040826800.db2.gz UTUUDVGPXOABHV-MJGOQNOKSA-N 1 0 370.453 2.914 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH+]1C[C@@H]3CN(Cc4cccnc4)C[C@H]3C1)C2 ZINC001254599383 1040829672 /nfs/dbraw/zinc/82/96/72/1040829672.db2.gz YNFPGGMGPPABAK-IRFCIJBXSA-N 1 0 364.449 2.521 20 5 FFBDRO CC(C)(C)OC(=O)NCCC1C[NH+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254604866 1040834930 /nfs/dbraw/zinc/83/49/30/1040834930.db2.gz XXGAANLCGULFES-KRWDZBQOSA-N 1 0 361.442 2.909 20 5 FFBDRO Cc1ccccc1C(=O)N1CCN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254609343 1040836781 /nfs/dbraw/zinc/83/67/81/1040836781.db2.gz VRHZWWXHCAGJGA-IBGZPJMESA-N 1 0 365.433 2.828 20 5 FFBDRO CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@@H]21 ZINC001254610640 1040838437 /nfs/dbraw/zinc/83/84/37/1040838437.db2.gz LWUUXAVMBHRENC-XIRDDKMYSA-N 1 0 359.426 2.613 20 5 FFBDRO Cc1cc(-c2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)nn1-c1cc[nH+]cc1 ZINC001214144822 1041269079 /nfs/dbraw/zinc/26/90/79/1041269079.db2.gz KJSLUNZTYNTSMN-UHFFFAOYSA-N 1 0 367.300 2.735 20 5 FFBDRO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC001262094213 1041552547 /nfs/dbraw/zinc/55/25/47/1041552547.db2.gz YYFNXRBJNZHMNB-ZFWWWQNUSA-N 1 0 372.347 2.697 20 5 FFBDRO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC001262094211 1041552976 /nfs/dbraw/zinc/55/29/76/1041552976.db2.gz YYFNXRBJNZHMNB-HIFRSBDPSA-N 1 0 372.347 2.697 20 5 FFBDRO C[N@@H+]1C[C@@]23CN(c4cc5nc[nH]c(=O)c5cc4[N+](=O)[O-])C[C@]2(C1)CCCC3 ZINC001262716415 1041811941 /nfs/dbraw/zinc/81/19/41/1041811941.db2.gz FABFEEQAWUBSSN-KDURUIRLSA-N 1 0 369.425 2.556 20 5 FFBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)N3C[C@H]4CCCC[C@H]43)c2)CC1 ZINC001311245099 1043855842 /nfs/dbraw/zinc/85/58/42/1043855842.db2.gz IEBLJIQNOPJODM-RHSMWYFYSA-N 1 0 373.457 2.753 20 5 FFBDRO Cc1cc(NC(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC001311321797 1043884890 /nfs/dbraw/zinc/88/48/90/1043884890.db2.gz ZLVKOYVOVBRJLX-KBPBESRZSA-N 1 0 350.419 2.524 20 5 FFBDRO C[C@H](C(=O)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1)[NH+]1CCCCCC1 ZINC001318828818 1044899762 /nfs/dbraw/zinc/89/97/62/1044899762.db2.gz RKQHSJSHFUSNQV-QGZVFWFLSA-N 1 0 374.485 2.504 20 5 FFBDRO O=C(NC[C@H]1C[C@@H]([NH2+]C/C=C\c2ccc(Cl)cc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001316614298 1045147867 /nfs/dbraw/zinc/14/78/67/1045147867.db2.gz BVWUNZAQAPPHEA-IEXMBPEJSA-N 1 0 363.845 2.503 20 5 FFBDRO C[N@@H+]1CC[C@@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(F)cc1 ZINC001319574566 1045200632 /nfs/dbraw/zinc/20/06/32/1045200632.db2.gz ZUYHLWHXKXHYIN-MSOLQXFVSA-N 1 0 372.400 2.979 20 5 FFBDRO COc1ccc(C[NH2+][C@H]2CCCN(C(=O)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC001318371498 1045285355 /nfs/dbraw/zinc/28/53/55/1045285355.db2.gz ICUCQAOPPXEPFU-KRWDZBQOSA-N 1 0 369.421 2.998 20 5 FFBDRO CCOC(=O)C[C@H]1CCC[N@@H+]1Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC001320577947 1045430683 /nfs/dbraw/zinc/43/06/83/1045430683.db2.gz AWDLXEZRPSLYLS-MRXNPFEDSA-N 1 0 358.398 2.833 20 5 FFBDRO Cn1cc(N2CC[C@H]([NH2+][C@@H]3CC(C)(C)c4ccc([N+](=O)[O-])cc43)C2)cn1 ZINC001320989858 1045508043 /nfs/dbraw/zinc/50/80/43/1045508043.db2.gz UPODGLGUWPUVFD-SCLBCKFNSA-N 1 0 355.442 2.919 20 5 FFBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC001323222533 1045511126 /nfs/dbraw/zinc/51/11/26/1045511126.db2.gz XYGUAJKYECGEFR-QGZVFWFLSA-N 1 0 368.437 2.983 20 5 FFBDRO CS[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)C[C@@H]1[NH+](C)C ZINC001321061001 1045527823 /nfs/dbraw/zinc/52/78/23/1045527823.db2.gz TWAHAJPIBBPWIF-STQMWFEESA-N 1 0 358.851 2.758 20 5 FFBDRO C[C@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001539746636 1070691888 /nfs/dbraw/zinc/69/18/88/1070691888.db2.gz QMAJNQNXWIERAV-XJKSGUPXSA-N 1 0 351.422 2.998 20 5 FFBDRO O=C(NC1(C[NH2+]C/C=C\c2ccccc2)CCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001282606941 1045954461 /nfs/dbraw/zinc/95/44/61/1045954461.db2.gz GWEXXPWSMHAPJS-HJPCAMOWSA-N 1 0 357.454 2.774 20 5 FFBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC001324649504 1046145549 /nfs/dbraw/zinc/14/55/49/1046145549.db2.gz DHTROHVSGVVUHR-LLVKDONJSA-N 1 0 371.235 2.963 20 5 FFBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N(C)CCC[N@H+](C)Cc1ccco1 ZINC001322606365 1046148313 /nfs/dbraw/zinc/14/83/13/1046148313.db2.gz GPTZVOFXPHKWTD-UHFFFAOYSA-N 1 0 360.414 2.824 20 5 FFBDRO Cc1ccnc(NCc2cccc(CN3CC[NH+](C)CC3)c2)c1[N+](=O)[O-] ZINC001322902911 1046266975 /nfs/dbraw/zinc/26/69/75/1046266975.db2.gz JIXZBTGYOITFHH-UHFFFAOYSA-N 1 0 355.442 2.658 20 5 FFBDRO O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001540412473 1070882090 /nfs/dbraw/zinc/88/20/90/1070882090.db2.gz SKCNOGLUXHPSBC-LBPRGKRZSA-N 1 0 363.805 2.538 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)n1 ZINC001540452376 1070894833 /nfs/dbraw/zinc/89/48/33/1070894833.db2.gz FYPPEDMBQGYONV-GOSISDBHSA-N 1 0 354.410 2.865 20 5 FFBDRO CC1(C)[C@@H]2[NH2+]CCC[C@H]2[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC001332013796 1048212244 /nfs/dbraw/zinc/21/22/44/1048212244.db2.gz RUIXPMLHWNYAEZ-OLMNPRSZSA-N 1 0 372.469 2.701 20 5 FFBDRO CN1CC[C@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)[C@H]1c1ccc(F)cc1 ZINC001332990943 1048661972 /nfs/dbraw/zinc/66/19/72/1048661972.db2.gz ANJQYOFGFFGLDT-MUDYYLEHSA-N 1 0 359.405 2.669 20 5 FFBDRO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@@H+](CC4CCC(O)CC4)CC3)nc2c1 ZINC001329893714 1048955425 /nfs/dbraw/zinc/95/54/25/1048955425.db2.gz CFFHLNMDILYTDB-UHFFFAOYSA-N 1 0 373.457 2.534 20 5 FFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CCc3coc(-c4ccccc4)n3)C2)c1 ZINC001330627575 1049238479 /nfs/dbraw/zinc/23/84/79/1049238479.db2.gz WMWAPGUOJLKWTM-UHFFFAOYSA-N 1 0 353.382 2.982 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@H]2CN(c3ccc([N+](=O)[O-])cc3N3CCOC3=O)C[C@@H]2C1 ZINC001334337902 1049378003 /nfs/dbraw/zinc/37/80/03/1049378003.db2.gz VZKIONYTZVVLQV-SOUVJXGZSA-N 1 0 374.441 2.718 20 5 FFBDRO O=C(N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC001341576714 1050203715 /nfs/dbraw/zinc/20/37/15/1050203715.db2.gz WUUYXDNIHHLHES-APWZRJJASA-N 1 0 353.378 2.581 20 5 FFBDRO [NH3+][C@@H]1CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[C@H]1C(F)(F)F ZINC001341709337 1050330114 /nfs/dbraw/zinc/33/01/14/1050330114.db2.gz MYEMYVSUKHCCFW-VXNVDRBHSA-N 1 0 351.712 2.600 20 5 FFBDRO O=C(NC[C@]12CCC[C@H]1[NH2+]CC2)c1c(Br)cccc1[N+](=O)[O-] ZINC001341810363 1050425354 /nfs/dbraw/zinc/42/53/54/1050425354.db2.gz UDLGRMVDBBLESD-IUODEOHRSA-N 1 0 368.231 2.619 20 5 FFBDRO C[NH+](C)[C@@H]1C[C@@H](NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C12CCC2 ZINC001301546131 1050918341 /nfs/dbraw/zinc/91/83/41/1050918341.db2.gz JHWUJMWBXHYEFR-ZIAGYGMSSA-N 1 0 369.368 2.799 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N3C[C@@H]([NH3+])C(C)(C)C3)cc2[N+](=O)[O-])CC1 ZINC001342501288 1051103551 /nfs/dbraw/zinc/10/35/51/1051103551.db2.gz CTQGPMAMQKMAET-QGZVFWFLSA-N 1 0 360.458 2.640 20 5 FFBDRO [NH3+]C[C@@H]1Cc2cc(F)ccc2N(C(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC001341108474 1051456048 /nfs/dbraw/zinc/45/60/48/1051456048.db2.gz GNBQFUMPRDKNDJ-AWEZNQCLSA-N 1 0 357.385 2.831 20 5 FFBDRO COc1ccc(C(=O)N2C[C@H](CC[NH3+])Cc3ccccc32)cc1[N+](=O)[O-] ZINC001342878778 1051488163 /nfs/dbraw/zinc/48/81/63/1051488163.db2.gz XPIFYKXFZBMSLY-CYBMUJFWSA-N 1 0 355.394 2.771 20 5 FFBDRO CC(C)(NC(=O)[C@@H]1CCN(c2cc[nH+]cc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC001306868426 1052205987 /nfs/dbraw/zinc/20/59/87/1052205987.db2.gz AFGQSJZGXROZRL-CQSZACIVSA-N 1 0 354.410 2.868 20 5 FFBDRO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC001306909576 1052219596 /nfs/dbraw/zinc/21/95/96/1052219596.db2.gz ZTCTYYWCOZIGJK-GFCCVEGCSA-N 1 0 371.363 2.932 20 5 FFBDRO Cc1ccccc1C[NH+]1CCN(c2cc(F)c([N+](=O)[O-])cc2CO)CC1 ZINC001306914475 1052221050 /nfs/dbraw/zinc/22/10/50/1052221050.db2.gz VSEVIOCVUNZDNQ-UHFFFAOYSA-N 1 0 359.401 2.857 20 5 FFBDRO CC(C)[N@H+](C)CC1CCN(c2nnc([C@H](C)[N+](=O)[O-])n2CC2CC2)CC1 ZINC001345163784 1052298556 /nfs/dbraw/zinc/29/85/56/1052298556.db2.gz ZXTUSXILKJOAKN-AWEZNQCLSA-N 1 0 364.494 2.582 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)C[C@H]2C1 ZINC001345238090 1052336304 /nfs/dbraw/zinc/33/63/04/1052336304.db2.gz ZGQRJGYQJWLLOY-MGPQQGTHSA-N 1 0 356.426 2.878 20 5 FFBDRO CC(C)([NH2+]C[C@@H](O)c1cc(Br)no1)c1ccccc1[N+](=O)[O-] ZINC001307799488 1052350491 /nfs/dbraw/zinc/35/04/91/1052350491.db2.gz CHZKWJWAFUEYNU-LLVKDONJSA-N 1 0 370.203 2.904 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC001307799234 1052350868 /nfs/dbraw/zinc/35/08/68/1052350868.db2.gz NUVNAAOFFIOTKL-CYBMUJFWSA-N 1 0 373.413 2.797 20 5 FFBDRO CCc1ccc2c(c1)C[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])CC2 ZINC001308173658 1052426383 /nfs/dbraw/zinc/42/63/83/1052426383.db2.gz DCNVKZBIEXOXRV-GOSISDBHSA-N 1 0 356.422 2.955 20 5 FFBDRO CC[C@H]1CCC[C@@H](C[NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC001308258640 1052438702 /nfs/dbraw/zinc/43/87/02/1052438702.db2.gz AEPWVWZKFDOFPK-LSDHHAIUSA-N 1 0 369.487 2.679 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C2CCC3(CCOCC3)CC2)c1 ZINC001345640310 1052552091 /nfs/dbraw/zinc/55/20/91/1052552091.db2.gz ZLCJTJYNDRKCNG-KRWDZBQOSA-N 1 0 364.442 2.664 20 5 FFBDRO C[C@@H](Nc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001336570428 1054067329 /nfs/dbraw/zinc/06/73/29/1054067329.db2.gz TZBLCDHSJFGOKG-OLZOCXBDSA-N 1 0 374.441 2.991 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CC[C@@H]4[C@H](C3)C4(F)F)CC2)cn1 ZINC001336759312 1054201517 /nfs/dbraw/zinc/20/15/17/1054201517.db2.gz VRGKOZDUMMCXFB-YUELXQCFSA-N 1 0 352.385 2.982 20 5 FFBDRO COc1cccc([C@@H]2C[NH2+]CCN2C(=O)CCc2cccc([N+](=O)[O-])c2)c1 ZINC001337034718 1054428097 /nfs/dbraw/zinc/42/80/97/1054428097.db2.gz FZLHPGWVAALYPN-IBGZPJMESA-N 1 0 369.421 2.709 20 5 FFBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)[C@@H]3C[C@H]3c3ccco3)c2)CC1 ZINC001337702618 1054957865 /nfs/dbraw/zinc/95/78/65/1054957865.db2.gz AIOOUDUOTBVPSF-HUUCEWRRSA-N 1 0 370.409 2.682 20 5 FFBDRO COc1cc(C(=O)N2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)cc([N+](=O)[O-])c1C ZINC001337885240 1055082957 /nfs/dbraw/zinc/08/29/57/1055082957.db2.gz LUZKRNYBXJGRDZ-NUEKZKHPSA-N 1 0 361.442 2.714 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)c2nnc(-c3cccc([N+](=O)[O-])c3C)n2C)[C@H](C)C1 ZINC001338153340 1055276090 /nfs/dbraw/zinc/27/60/90/1055276090.db2.gz LLWFCSMTEAHQMM-CZUORRHYSA-N 1 0 372.473 2.865 20 5 FFBDRO C[N@@H+]1C[C@@H]2CC[C@H](Nc3ccc([N+](=O)[O-])c(C(=O)N4CCCC4)c3)[C@@H]2C1 ZINC001338299000 1055400011 /nfs/dbraw/zinc/40/00/11/1055400011.db2.gz XVCCKHMVKCFHQA-XKQJLSEDSA-N 1 0 358.442 2.583 20 5 FFBDRO CC[NH+](CC)[C@H](CNC(=O)c1[nH]nc([N+](=O)[O-])c1Cl)c1ccsc1 ZINC001543828181 1071553875 /nfs/dbraw/zinc/55/38/75/1071553875.db2.gz APQSBDQLBHCBDE-SNVBAGLBSA-N 1 0 371.850 2.846 20 5 FFBDRO COc1ccc(CCNC(=[NH2+])NCc2cccc([N+](=O)[O-])c2C)cc1OC ZINC000849092865 1055636484 /nfs/dbraw/zinc/63/64/84/1055636484.db2.gz JXYAKOPFSYXRPJ-UHFFFAOYSA-N 1 0 372.425 2.777 20 5 FFBDRO COc1ccc(NC(=O)N2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)cc1[N+](=O)[O-] ZINC001352777926 1055784542 /nfs/dbraw/zinc/78/45/42/1055784542.db2.gz WGHPEUMTSJEEFM-YDHLFZDLSA-N 1 0 362.430 2.797 20 5 FFBDRO C[C@H](c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1CC1CC1)[N+](=O)[O-] ZINC001350518324 1055812820 /nfs/dbraw/zinc/81/28/20/1055812820.db2.gz MBABQHICOBBVFN-CQSZACIVSA-N 1 0 364.494 2.584 20 5 FFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)c1 ZINC001358118034 1056146933 /nfs/dbraw/zinc/14/69/33/1056146933.db2.gz CEZGPRDFKNOMAX-WDEREUQCSA-N 1 0 363.361 2.668 20 5 FFBDRO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCC[C@]12CC[NH2+]C2 ZINC001353389668 1056357484 /nfs/dbraw/zinc/35/74/84/1056357484.db2.gz MEVKVNXOTKMQTA-OAHLLOKOSA-N 1 0 372.347 2.651 20 5 FFBDRO CCn1c([C@H]2CCC[N@H+](C)C2)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001339688779 1056709847 /nfs/dbraw/zinc/70/98/47/1056709847.db2.gz MYFGGVHNFWWLAM-HNNXBMFYSA-N 1 0 370.457 2.578 20 5 FFBDRO CC1CCC([NH+]2CCN(C(=O)Cc3cccc(F)c3[N+](=O)[O-])CC2)CC1 ZINC001444109734 1058272125 /nfs/dbraw/zinc/27/21/25/1058272125.db2.gz UQGPKJWXQWWQFL-UHFFFAOYSA-N 1 0 363.433 2.999 20 5 FFBDRO C[NH+](C)[C@H]1C[C@@H](NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC001454173656 1059454008 /nfs/dbraw/zinc/45/40/08/1059454008.db2.gz NBJGKZDMQPZEAE-KGLIPLIRSA-N 1 0 353.369 2.676 20 5 FFBDRO CC[NH+](CC)C1CCN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)CC1 ZINC001354939549 1059673495 /nfs/dbraw/zinc/67/34/95/1059673495.db2.gz KWWCJTUFVRABKT-UHFFFAOYSA-N 1 0 372.828 2.916 20 5 FFBDRO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])[C@H]2C1 ZINC001355171866 1059956753 /nfs/dbraw/zinc/95/67/53/1059956753.db2.gz PQAVPINKEJSZLQ-XDTLVQLUSA-N 1 0 357.332 2.684 20 5 FFBDRO O=C1[C@H](c2ccc([N+](=O)[O-])cc2)CCN1C[N@@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000848490363 1060146736 /nfs/dbraw/zinc/14/67/36/1060146736.db2.gz ZZLOHHNZLUQQRG-NEWSRXKRSA-N 1 0 373.453 2.759 20 5 FFBDRO Cn1ncc([N+](=O)[O-])c1N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC001458084910 1060510288 /nfs/dbraw/zinc/51/02/88/1060510288.db2.gz ONKUDVJUNJVSNI-UHFFFAOYSA-N 1 0 351.410 2.804 20 5 FFBDRO COC(=O)COc1ccc(C[N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)cc1 ZINC001459979937 1060864211 /nfs/dbraw/zinc/86/42/11/1060864211.db2.gz LGOGIQIVXGLPTB-UHFFFAOYSA-N 1 0 374.393 2.657 20 5 FFBDRO COC(=O)c1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC001460748545 1061085946 /nfs/dbraw/zinc/08/59/46/1061085946.db2.gz OGGJCEQJUOLJQB-LBPRGKRZSA-N 1 0 357.366 2.671 20 5 FFBDRO [NH3+][C@@H]1CN(C(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C[C@H]1c1cccc(F)c1 ZINC001521705982 1061086921 /nfs/dbraw/zinc/08/69/21/1061086921.db2.gz JADYASSVJFYNHS-CADBVGFASA-N 1 0 369.396 2.791 20 5 FFBDRO C[C@@H]1C[NH+](CCCCNc2ncnc3cccc([N+](=O)[O-])c32)C[C@@H](C)O1 ZINC000544394230 1061125905 /nfs/dbraw/zinc/12/59/05/1061125905.db2.gz PKCNOEMMXMFUDX-ZIAGYGMSSA-N 1 0 359.430 2.839 20 5 FFBDRO CS(=O)(=O)CC1(C[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC001461289657 1061279932 /nfs/dbraw/zinc/27/99/32/1061279932.db2.gz XUUIEPRTAKSHGZ-UHFFFAOYSA-N 1 0 364.423 2.769 20 5 FFBDRO CC[C@H](C)[C@@H](C)NC(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001477130417 1061593401 /nfs/dbraw/zinc/59/34/01/1061593401.db2.gz NRBJXSSTOMXGGE-UONOGXRCSA-N 1 0 363.462 2.903 20 5 FFBDRO C[C@@H](C[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)CC1(C)OCCO1 ZINC001462504928 1061651786 /nfs/dbraw/zinc/65/17/86/1061651786.db2.gz RKQHQAKUOMRXST-ZIAGYGMSSA-N 1 0 365.430 2.691 20 5 FFBDRO C[NH2+][C@H](CNC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC001522828305 1062303822 /nfs/dbraw/zinc/30/38/22/1062303822.db2.gz VDJHWUDWEUKEBK-UHOSZYNNSA-N 1 0 353.422 2.645 20 5 FFBDRO [NH3+]CC[C@H]1CCN(C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C1 ZINC001523019582 1062360893 /nfs/dbraw/zinc/36/08/93/1062360893.db2.gz VKPNUCWQMLVPRE-NSHDSACASA-N 1 0 371.387 2.770 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N3CC[C@@H](C[NH3+])[C@H](C)C3)cc2[N+](=O)[O-])CC1 ZINC001523031455 1062365204 /nfs/dbraw/zinc/36/52/04/1062365204.db2.gz XYQSLUSXSQEZMJ-WBVHZDCISA-N 1 0 374.485 2.888 20 5 FFBDRO [NH3+]C[C@]12CC[C@H]1CCCN2C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC001523407798 1062456072 /nfs/dbraw/zinc/45/60/72/1062456072.db2.gz NFKJSXMBNUPIRE-DNVCBOLYSA-N 1 0 358.442 2.539 20 5 FFBDRO [NH3+]C[C@]12CC[C@H]1CCCN2C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC001523428895 1062465099 /nfs/dbraw/zinc/46/50/99/1062465099.db2.gz XQQWMSWDGFBXEU-IAQYHMDHSA-N 1 0 368.231 2.701 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC001464313329 1062539691 /nfs/dbraw/zinc/53/96/91/1062539691.db2.gz LLHPJCLMJMORPJ-UHFFFAOYSA-N 1 0 369.487 2.753 20 5 FFBDRO CCN(C(=O)Cn1c2ccccc2c(=O)c2ccccc21)[C@H]1CCC[NH2+]C1 ZINC001524265629 1062781357 /nfs/dbraw/zinc/78/13/57/1062781357.db2.gz DLJOIQZSOVUOEH-INIZCTEOSA-N 1 0 363.461 2.755 20 5 FFBDRO Cc1ccc2ccccc2c1C[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC1 ZINC001493370772 1063143683 /nfs/dbraw/zinc/14/36/83/1063143683.db2.gz OAHUMQYRWYFKED-UYAOXDASSA-N 1 0 367.449 2.894 20 5 FFBDRO COc1ccc(NC(=O)NCCCCc2cc[nH+]c(N)c2)cc1[N+](=O)[O-] ZINC001465979748 1063286142 /nfs/dbraw/zinc/28/61/42/1063286142.db2.gz CGZIUDJTTGAEIZ-UHFFFAOYSA-N 1 0 359.386 2.725 20 5 FFBDRO Nc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC001440672414 1063330677 /nfs/dbraw/zinc/33/06/77/1063330677.db2.gz BZSRRMSLYZWIQX-OAHLLOKOSA-N 1 0 360.439 2.805 20 5 FFBDRO CC[C@H](CNC(=O)c1cc([N+](=O)[O-])cc(C)n1)[N@@H+]1CCc2ccccc2C1 ZINC001441242275 1063414738 /nfs/dbraw/zinc/41/47/38/1063414738.db2.gz PWKDELZYQYSKFY-QGZVFWFLSA-N 1 0 368.437 2.865 20 5 FFBDRO O=C(NC1(C[NH2+]Cc2cc(Cl)ccc2F)CCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001495157720 1063450936 /nfs/dbraw/zinc/45/09/36/1063450936.db2.gz CQJQYBDQDCIDQV-UKRRQHHQSA-N 1 0 369.824 2.663 20 5 FFBDRO [NH3+]CC[C@H](NCc1c(Br)cccc1[N+](=O)[O-])C(F)(F)F ZINC001580284795 1063533595 /nfs/dbraw/zinc/53/35/95/1063533595.db2.gz SDSLGAGPNFUUBX-JTQLQIEISA-N 1 0 356.142 2.727 20 5 FFBDRO CC(C)=CCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H]([NH3+])C1 ZINC001575391499 1078136026 /nfs/dbraw/zinc/13/60/26/1078136026.db2.gz LUQNIDKBONHMMG-HNNXBMFYSA-N 1 0 356.430 2.747 20 5 FFBDRO CC(C)[C@](C)(C[NH3+])NCc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001575418334 1078139051 /nfs/dbraw/zinc/13/90/51/1078139051.db2.gz PUIXPTUKXBXPMZ-HNNXBMFYSA-N 1 0 353.810 2.761 20 5 FFBDRO NC(=O)[C@H]1CCC[N@H+](CCCNc2cccc(C(F)(F)F)c2[N+](=O)[O-])C1 ZINC001472677748 1065125718 /nfs/dbraw/zinc/12/57/18/1065125718.db2.gz FXSPHZBMSAZNNX-NSHDSACASA-N 1 0 374.363 2.613 20 5 FFBDRO COc1ccc2ncc([N+](=O)[O-])c(NC[C@@H]3CC[N@H+](CC(C)C)C3)c2c1 ZINC001472730259 1065136264 /nfs/dbraw/zinc/13/62/64/1065136264.db2.gz KIDOIOHXWHPBFA-AWEZNQCLSA-N 1 0 358.442 2.963 20 5 FFBDRO COc1ccc2ncc([N+](=O)[O-])c(NC[C@H]3CC[N@H+](CC(C)C)C3)c2c1 ZINC001472730260 1065136314 /nfs/dbraw/zinc/13/63/14/1065136314.db2.gz KIDOIOHXWHPBFA-CQSZACIVSA-N 1 0 358.442 2.963 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CC[NH2+][C@@H](Cc3ccc(F)cc3)C2)c([N+](=O)[O-])c1 ZINC001472906982 1065172729 /nfs/dbraw/zinc/17/27/29/1065172729.db2.gz XHISVCDADYPOGD-AWEZNQCLSA-N 1 0 360.345 2.663 20 5 FFBDRO CCOC(=O)C[N@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)CC(C)C ZINC001473124955 1065204691 /nfs/dbraw/zinc/20/46/91/1065204691.db2.gz VHJUKFQNOPESFC-UHFFFAOYSA-N 1 0 365.430 2.753 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(C[NH2+][C@@H]2CCC[C@@H]2CCO)o1 ZINC001473384552 1065251747 /nfs/dbraw/zinc/25/17/47/1065251747.db2.gz KXTRGCCMRNASES-ZWNOBZJWSA-N 1 0 366.805 2.939 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCCN(c2ccccc2Cl)CC1 ZINC001473452752 1065266741 /nfs/dbraw/zinc/26/67/41/1065266741.db2.gz ZOVBLLBMSMKEEO-UHFFFAOYSA-N 1 0 363.849 2.965 20 5 FFBDRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)c1cccc([N+](=O)[O-])c1Br ZINC001576118103 1078197484 /nfs/dbraw/zinc/19/74/84/1078197484.db2.gz XNKGIHIKDJMJEV-GXSJLCMTSA-N 1 0 356.220 2.699 20 5 FFBDRO COC(=O)[C@@H](C)Oc1ccccc1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC001473988947 1065434766 /nfs/dbraw/zinc/43/47/66/1065434766.db2.gz XIONOJLOCJIHKM-CQSZACIVSA-N 1 0 358.394 2.867 20 5 FFBDRO C[C@@H]([NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])[C@H]1COC(C)(C)O1 ZINC001474686499 1065580331 /nfs/dbraw/zinc/58/03/31/1065580331.db2.gz XNAHBZRTBKTJBC-NOZJJQNGSA-N 1 0 359.220 2.987 20 5 FFBDRO CC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCC[NH3+])CC1 ZINC001576737904 1078268386 /nfs/dbraw/zinc/26/83/86/1078268386.db2.gz SVPJNOPKTYRKSL-UHFFFAOYSA-N 1 0 358.446 2.829 20 5 FFBDRO CC[C@H](C)c1nnc(N2CCc3ccc([N+](=O)[O-])cc3C2)n1C[C@@H](C)[NH3+] ZINC001577037615 1078297757 /nfs/dbraw/zinc/29/77/57/1078297757.db2.gz SANCBPAVJQRNRZ-QWHCGFSZSA-N 1 0 358.446 2.610 20 5 FFBDRO CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCC[NH3+])C1CCCC1 ZINC001577745951 1078393748 /nfs/dbraw/zinc/39/37/48/1078393748.db2.gz WGVPYUMUFKFJIB-UHFFFAOYSA-N 1 0 358.446 2.971 20 5 FFBDRO COc1cccc([C@@H]([NH3+])C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)c1 ZINC001579262506 1078604677 /nfs/dbraw/zinc/60/46/77/1078604677.db2.gz BVCBJBNADYKHTG-GOSISDBHSA-N 1 0 357.410 2.742 20 5 FFBDRO Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001579827818 1078692142 /nfs/dbraw/zinc/69/21/42/1078692142.db2.gz SMIYKYWZMHCXTI-ZIAGYGMSSA-N 1 0 357.414 2.515 20 5 FFBDRO [NH3+][C@H]1C[C@H](CNC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC001580427859 1078801800 /nfs/dbraw/zinc/80/18/00/1078801800.db2.gz WZPAGRGHBQLIHT-KOMQPUFPSA-N 1 0 354.410 2.674 20 5 FFBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N(Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC001580574391 1078828932 /nfs/dbraw/zinc/82/89/32/1078828932.db2.gz NQUUIJOPLPRAEK-IBGZPJMESA-N 1 0 353.422 2.918 20 5 FFBDRO CCN(CCC[NH+](CC)CC)C(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC001556236014 1075719533 /nfs/dbraw/zinc/71/95/33/1075719533.db2.gz UEYCEZUDDFUYQI-UHFFFAOYSA-N 1 0 365.430 2.575 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC2(C1)C[NH+](Cc1ccccc1)C2 ZINC001557926426 1075913210 /nfs/dbraw/zinc/91/32/10/1075913210.db2.gz YVDBZSZTGVOVJP-UHFFFAOYSA-N 1 0 351.406 2.861 20 5 FFBDRO CC[N@@H+]1C[C@H](NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)C(C)(C)C1 ZINC001558527868 1076025423 /nfs/dbraw/zinc/02/54/23/1076025423.db2.gz SWOFYSQCOSGMQW-AWEZNQCLSA-N 1 0 364.402 2.580 20 5 FFBDRO C[C@@H]1COCC[C@H]1[NH2+]Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001559746900 1076188033 /nfs/dbraw/zinc/18/80/33/1076188033.db2.gz NAEHVJLIQMCLTN-BXKDBHETSA-N 1 0 352.778 2.813 20 5 FFBDRO CC[C@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)[C@H]1CCCOC1 ZINC001560097571 1076226502 /nfs/dbraw/zinc/22/65/02/1076226502.db2.gz HTRKKXRDBDNNEV-ZFWWWQNUSA-N 1 0 365.430 2.727 20 5 FFBDRO Cc1noc(C[N@H+]2C[C@@H](C)[C@H](CCNC(=O)OC(C)(C)C)C2)c1[N+](=O)[O-] ZINC001560140958 1076234468 /nfs/dbraw/zinc/23/44/68/1076234468.db2.gz BXCKNUKAAPEBBB-DGCLKSJQSA-N 1 0 368.434 2.874 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC001560949614 1076313163 /nfs/dbraw/zinc/31/31/63/1076313163.db2.gz CRFVPQPGXBIERH-IAGOWNOFSA-N 1 0 365.861 2.981 20 5 FFBDRO COc1ccc(NC(=O)NC2CC[NH+](C(C)(C)C)CC2)c([N+](=O)[O-])c1 ZINC001563096269 1076517887 /nfs/dbraw/zinc/51/78/87/1076517887.db2.gz RGBJCPSEFSCXGG-UHFFFAOYSA-N 1 0 350.419 2.988 20 5 FFBDRO O=C(NCC1([NH+]2CCCC2)CCOCC1)c1c(Cl)cccc1[N+](=O)[O-] ZINC001565659609 1076751306 /nfs/dbraw/zinc/75/13/06/1076751306.db2.gz ZZGLKQBBZYTIHQ-UHFFFAOYSA-N 1 0 367.833 2.623 20 5 FFBDRO CC(C)[NH+]1CCC(CCNc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC001574286927 1077948705 /nfs/dbraw/zinc/94/87/05/1077948705.db2.gz VPOMMZUWLZFNBY-UHFFFAOYSA-N 1 0 359.434 2.697 20 5 FFBDRO C[C@@H](Nc1ccc(-c2nn[nH]n2)c([N+](=O)[O-])c1)[C@H](c1ccccc1)[NH+](C)C ZINC001589980797 1080919978 /nfs/dbraw/zinc/91/99/78/1080919978.db2.gz FEOQNZQPSFVWAK-SJKOYZFVSA-N 1 0 367.413 2.878 20 5 FFBDRO C[C@@H](c1cccc(-c2nn[nH]n2)c1)[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001590043546 1080969739 /nfs/dbraw/zinc/96/97/39/1080969739.db2.gz OTQAGNNWJNGXFB-SJCJKPOMSA-N 1 0 368.397 2.501 20 5 FFBDRO C[C@@H](c1cccc(-c2nn[nH]n2)c1)[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC001590045883 1080972990 /nfs/dbraw/zinc/97/29/90/1080972990.db2.gz FNFGUTXEYIVOOM-ZDUSSCGKSA-N 1 0 368.397 2.847 20 5 FFBDRO CC1([NH+]2CCC2)CCC(Nc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC001590141591 1081046734 /nfs/dbraw/zinc/04/67/34/1081046734.db2.gz KGWACRYILAQXBS-UHFFFAOYSA-N 1 0 357.418 2.594 20 5 FFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000027938400 249345983 /nfs/dbraw/zinc/34/59/83/249345983.db2.gz OZKIXGBWGZBPRH-UHFFFAOYSA-N 1 0 367.449 2.961 20 5 FFBDRO CC[N@H+](C)C[C@H]1CCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000072860148 249783271 /nfs/dbraw/zinc/78/32/71/249783271.db2.gz DSEGCQSEGMBDPR-QWHCGFSZSA-N 1 0 368.865 2.849 20 5 FFBDRO Cc1cc(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)cc([N+](=O)[O-])c1 ZINC000093064762 250015367 /nfs/dbraw/zinc/01/53/67/250015367.db2.gz CXXDAXWCXYIJDY-UHFFFAOYSA-N 1 0 354.410 2.945 20 5 FFBDRO COc1ccc(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)cc1[N+](=O)[O-] ZINC000093191610 250022451 /nfs/dbraw/zinc/02/24/51/250022451.db2.gz OYDQUZYZPXHEJP-UHFFFAOYSA-N 1 0 370.409 2.645 20 5 FFBDRO COc1cc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])cc1OC ZINC000105448242 250213711 /nfs/dbraw/zinc/21/37/11/250213711.db2.gz VBSYPOXZTLNTKI-UHFFFAOYSA-N 1 0 361.354 2.853 20 5 FFBDRO Cn1c(Sc2ccc3ncccc3c2[N+](=O)[O-])nnc1C1CC[NH2+]CC1 ZINC000117866595 250364740 /nfs/dbraw/zinc/36/47/40/250364740.db2.gz DQKJUBPPVNZDQP-UHFFFAOYSA-N 1 0 370.438 2.890 20 5 FFBDRO Cc1c(NC(=O)NC2CC[NH+](CCOC(C)C)CC2)cccc1[N+](=O)[O-] ZINC000175573180 251230617 /nfs/dbraw/zinc/23/06/17/251230617.db2.gz VUMILLJQTJTJCJ-UHFFFAOYSA-N 1 0 364.446 2.914 20 5 FFBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+](C)CCCn1ccnc1 ZINC000181108630 251242763 /nfs/dbraw/zinc/24/27/63/251242763.db2.gz CVYSTDMVSJDVBM-GFCCVEGCSA-N 1 0 365.821 2.794 20 5 FFBDRO CCc1n[nH]c(C(=O)NCc2cccc(C[N@H+](C)C(C)C)c2)c1[N+](=O)[O-] ZINC000192552452 251287640 /nfs/dbraw/zinc/28/76/40/251287640.db2.gz ZMPXKOWCLPQMEA-UHFFFAOYSA-N 1 0 359.430 2.651 20 5 FFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000192530268 251283990 /nfs/dbraw/zinc/28/39/90/251283990.db2.gz SUFIZQDSPCZCQN-UHFFFAOYSA-N 1 0 358.398 2.628 20 5 FFBDRO C[N@H+](CCCO)C1CCN(c2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000268788116 251384342 /nfs/dbraw/zinc/38/43/42/251384342.db2.gz FNGSXMBEBBHQBG-UHFFFAOYSA-N 1 0 372.263 2.640 20 5 FFBDRO C[NH+]1CCC([C@@H]2CCN(C(=O)CCNc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000270278111 251509477 /nfs/dbraw/zinc/50/94/77/251509477.db2.gz UWFGMKKYUOQFHZ-MRXNPFEDSA-N 1 0 360.458 2.587 20 5 FFBDRO Cn1c(Sc2ccc([N+](=O)[O-])c3cccnc23)nnc1[C@H]1CCC[NH2+]C1 ZINC000271350851 251769063 /nfs/dbraw/zinc/76/90/63/251769063.db2.gz SRCBIYYFXUWXSB-NSHDSACASA-N 1 0 370.438 2.890 20 5 FFBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@](O)(c2nccn2C)C(F)(F)F)cc1[N+](=O)[O-] ZINC000272184782 251973971 /nfs/dbraw/zinc/97/39/71/251973971.db2.gz YQXLUUGBVPZGCI-IAQYHMDHSA-N 1 0 372.347 2.737 20 5 FFBDRO C[C@H]1C[C@H](N(C)C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000272465983 252045926 /nfs/dbraw/zinc/04/59/26/252045926.db2.gz HPGXGZIUZJQBKJ-SWLSCSKDSA-N 1 0 368.865 2.915 20 5 FFBDRO CC(C)[NH+]1CCC(N[C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000272504774 252055273 /nfs/dbraw/zinc/05/52/73/252055273.db2.gz HTAOIYSEFBRVKQ-GOSISDBHSA-N 1 0 357.458 2.880 20 5 FFBDRO C[NH+]1CCC(C)(CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 ZINC000272581684 252072898 /nfs/dbraw/zinc/07/28/98/252072898.db2.gz YDIABGZEMULOOA-UHFFFAOYSA-N 1 0 360.458 2.657 20 5 FFBDRO Cn1cc(CN2CC[C@@H]3CC[N@H+](C)C[C@@H]32)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000272625527 252084828 /nfs/dbraw/zinc/08/48/28/252084828.db2.gz MKHXDKGSVHEZJN-KSSFIOAISA-N 1 0 355.442 2.521 20 5 FFBDRO C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1=CC[N@H+](C)CC1 ZINC000272860071 252150679 /nfs/dbraw/zinc/15/06/79/252150679.db2.gz IFDQXQWILVDYAR-JTQLQIEISA-N 1 0 357.332 2.994 20 5 FFBDRO CC(C)[C@@H](CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])N1CCCC1 ZINC000272895041 252158546 /nfs/dbraw/zinc/15/85/46/252158546.db2.gz YPTMBUSQPFNSGT-GFCCVEGCSA-N 1 0 361.489 2.592 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCc3cc(F)ccc32)cc1 ZINC000272913161 252163054 /nfs/dbraw/zinc/16/30/54/252163054.db2.gz HACQTULOGKPWOU-QGZVFWFLSA-N 1 0 364.398 2.785 20 5 FFBDRO CCOc1cccc(N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)c1[N+](=O)[O-] ZINC000273150085 252232209 /nfs/dbraw/zinc/23/22/09/252232209.db2.gz HLPWRIPFSIJYEK-MRXNPFEDSA-N 1 0 362.474 2.600 20 5 FFBDRO C[C@H]1C[NH+](CCCCNC(=O)Nc2ccc([N+](=O)[O-])cc2F)C[C@H](C)O1 ZINC000273340154 252284398 /nfs/dbraw/zinc/28/43/98/252284398.db2.gz ACJSFMDWHQVELX-STQMWFEESA-N 1 0 368.409 2.745 20 5 FFBDRO CC(C)OCC[NH+]1CCC(NC(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000273523903 252323361 /nfs/dbraw/zinc/32/33/61/252323361.db2.gz ZFCAENRSFACFJB-UHFFFAOYSA-N 1 0 368.409 2.745 20 5 FFBDRO C[NH+](C)CCOc1cc(-c2noc(-c3ccc([N+](=O)[O-])s3)n2)ccn1 ZINC000273867693 255803435 /nfs/dbraw/zinc/80/34/35/255803435.db2.gz HJLLPAYMLOKKBL-UHFFFAOYSA-N 1 0 361.383 2.709 20 5 FFBDRO CN(CC(=O)Nc1ccccc1CC[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC000275889528 256056735 /nfs/dbraw/zinc/05/67/35/256056735.db2.gz RXMMIFUKVNUGOL-UHFFFAOYSA-N 1 0 356.426 2.774 20 5 FFBDRO COc1cc(C(=O)Nc2ccccc2CC[NH+](C)C)cc([N+](=O)[O-])c1OC ZINC000275911188 256058552 /nfs/dbraw/zinc/05/85/52/256058552.db2.gz VNRJXPOYAGDZOF-UHFFFAOYSA-N 1 0 373.409 2.968 20 5 FFBDRO CS[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1[NH+]1CCCC1 ZINC000275703291 256040496 /nfs/dbraw/zinc/04/04/96/256040496.db2.gz JSUVFDOGGPGLNC-CABCVRRESA-N 1 0 350.444 2.638 20 5 FFBDRO CC1(C)CC(Nc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CC(C)(C)[NH2+]1 ZINC000276097295 256072203 /nfs/dbraw/zinc/07/22/03/256072203.db2.gz RTFKMMGFWCJWHV-UHFFFAOYSA-N 1 0 355.460 2.719 20 5 FFBDRO CSc1ccc(C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000277654152 256222402 /nfs/dbraw/zinc/22/24/02/256222402.db2.gz SVFLIIBILFSUNY-CYBMUJFWSA-N 1 0 367.471 2.547 20 5 FFBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000285813460 257006230 /nfs/dbraw/zinc/00/62/30/257006230.db2.gz NJAVOBNTRHZPSU-XJKSGUPXSA-N 1 0 358.442 2.868 20 5 FFBDRO C[C@H]1C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@]2(CCOC2)O1 ZINC000280623848 256542801 /nfs/dbraw/zinc/54/28/01/256542801.db2.gz WVELQSDHLRNDIV-IFXJQAMLSA-N 1 0 373.409 2.672 20 5 FFBDRO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(c2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000285041389 256966454 /nfs/dbraw/zinc/96/64/54/256966454.db2.gz AEMAXYPRHKNQOV-IRXDYDNUSA-N 1 0 356.426 2.833 20 5 FFBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000286896219 257060698 /nfs/dbraw/zinc/06/06/98/257060698.db2.gz LLISFIILXVLSJY-BBRMVZONSA-N 1 0 357.414 2.703 20 5 FFBDRO [NH3+][C@H]1CCc2nc(NC(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)sc2C1 ZINC000288763281 257224806 /nfs/dbraw/zinc/22/48/06/257224806.db2.gz OMXAFVHSVKBZBN-JTQLQIEISA-N 1 0 373.438 2.694 20 5 FFBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000288450521 257190341 /nfs/dbraw/zinc/19/03/41/257190341.db2.gz PLOKOFDRMJPEER-UHFFFAOYSA-N 1 0 361.442 2.879 20 5 FFBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC(c3noc4cc(F)ccc43)CC2)c1 ZINC000289752544 257297128 /nfs/dbraw/zinc/29/71/28/257297128.db2.gz KHHJWEQZRGBMOQ-UHFFFAOYSA-N 1 0 359.361 2.951 20 5 FFBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000290063374 257313468 /nfs/dbraw/zinc/31/34/68/257313468.db2.gz XWJPXICSTITISX-XHDPSFHLSA-N 1 0 363.805 2.719 20 5 FFBDRO C[C@H]1C[C@H](Nc2nccc(C(N)=O)c2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000290829204 257359964 /nfs/dbraw/zinc/35/99/64/257359964.db2.gz UIQJRQGIXLMTJB-DZGCQCFKSA-N 1 0 369.425 2.554 20 5 FFBDRO C[C@H]1[C@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000291678547 257416845 /nfs/dbraw/zinc/41/68/45/257416845.db2.gz CCGRDFZDNIAUAR-XJKSGUPXSA-N 1 0 354.410 2.570 20 5 FFBDRO COCCCN(C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)C1CC[NH+](C)CC1 ZINC000291901356 257436898 /nfs/dbraw/zinc/43/68/98/257436898.db2.gz QOLCJUSBWIOHCA-UHFFFAOYSA-N 1 0 374.441 2.649 20 5 FFBDRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000294691574 257598492 /nfs/dbraw/zinc/59/84/92/257598492.db2.gz KNNAXKGRMYZDSD-UHFFFAOYSA-N 1 0 357.401 2.691 20 5 FFBDRO O=C(C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000296286345 257690703 /nfs/dbraw/zinc/69/07/03/257690703.db2.gz OZLQZZWCGURAOM-LYRGGWFBSA-N 1 0 365.817 2.734 20 5 FFBDRO Cc1c(NC(=O)CC[NH+]2CCC(c3ccncn3)CC2)cccc1[N+](=O)[O-] ZINC000298536991 257919845 /nfs/dbraw/zinc/91/98/45/257919845.db2.gz XAWXNZYHROCYRC-UHFFFAOYSA-N 1 0 369.425 2.901 20 5 FFBDRO CC[NH+]1CCN(c2ccc(CNc3ccc([N+](=O)[O-])c(OC)c3)cn2)CC1 ZINC000301389706 258046858 /nfs/dbraw/zinc/04/68/58/258046858.db2.gz ZOPATPFLHMCSDU-UHFFFAOYSA-N 1 0 371.441 2.752 20 5 FFBDRO Cc1cc(N2CC[NH+](CCOC(C)C)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000302047122 258084193 /nfs/dbraw/zinc/08/41/93/258084193.db2.gz YRGOXDRHLVJGOI-UHFFFAOYSA-N 1 0 358.442 2.998 20 5 FFBDRO CNC(=O)c1ccc(N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000302163214 258092059 /nfs/dbraw/zinc/09/20/59/258092059.db2.gz IKQPPQZZDLMUAT-RDTXWAMCSA-N 1 0 368.437 2.887 20 5 FFBDRO CCOc1cccc(N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1[N+](=O)[O-] ZINC000302167420 258092357 /nfs/dbraw/zinc/09/23/57/258092357.db2.gz SDSALDCSXLQLPY-SJPCQFCGSA-N 1 0 374.485 2.741 20 5 FFBDRO Cc1cc(N(C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000302431322 258101966 /nfs/dbraw/zinc/10/19/66/258101966.db2.gz LFRSWXXMLZNRHW-HXUWFJFHSA-N 1 0 355.438 2.976 20 5 FFBDRO C[C@H](C[NH+]1CCCCCC1)Nc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000302466577 258102505 /nfs/dbraw/zinc/10/25/05/258102505.db2.gz VXKHSZHRAWLNHC-CYBMUJFWSA-N 1 0 355.460 2.675 20 5 FFBDRO O=[N+]([O-])c1ccc(Cl)c(CN[C@@H]2CCCc3c2cnn3CCO)c1 ZINC000324412180 258115777 /nfs/dbraw/zinc/11/57/77/258115777.db2.gz WBDXUVMCJJIQQQ-OAHLLOKOSA-N 1 0 350.806 2.604 20 5 FFBDRO CC[N@@H+]1CCCC[C@H]1CNc1c([N+](=O)[O-])cc(CO)c(C)c1[N+](=O)[O-] ZINC000301557121 258056033 /nfs/dbraw/zinc/05/60/33/258056033.db2.gz SMXRGFCYDOZBOX-ZDUSSCGKSA-N 1 0 352.391 2.590 20 5 FFBDRO O=[N+]([O-])c1cnc(N2CCC([NH+]3CCCC3)CC2)c(Br)c1 ZINC000301573898 258056597 /nfs/dbraw/zinc/05/65/97/258056597.db2.gz XVCWFXPDMOIMGK-UHFFFAOYSA-N 1 0 355.236 2.817 20 5 FFBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 ZINC000301703476 258063915 /nfs/dbraw/zinc/06/39/15/258063915.db2.gz UPZPCMZDRQYBTD-BETUJISGSA-N 1 0 362.430 2.706 20 5 FFBDRO Cc1cnc(N[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)c([N+](=O)[O-])c1 ZINC000301731035 258065326 /nfs/dbraw/zinc/06/53/26/258065326.db2.gz SLCAWAHEQKRRNU-IRXDYDNUSA-N 1 0 356.426 2.593 20 5 FFBDRO CC(C)C[N@@H+]1CCC[C@@H](CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000301757277 258066410 /nfs/dbraw/zinc/06/64/10/258066410.db2.gz DXZSLNAUZCZUHZ-AWEZNQCLSA-N 1 0 369.487 2.778 20 5 FFBDRO C[C@@H]1C[NH+](CCCNc2c(Br)cncc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000301829516 258069567 /nfs/dbraw/zinc/06/95/67/258069567.db2.gz GVVTZSBSXJFXSI-GHMZBOCLSA-N 1 0 373.251 2.664 20 5 FFBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000301989647 258080999 /nfs/dbraw/zinc/08/09/99/258080999.db2.gz OQVKRXRFVXMQGB-XQQFMLRXSA-N 1 0 362.430 2.704 20 5 FFBDRO O=[N+]([O-])c1cnc2ccc(NC[C@@H]3CCC[N@@H+]3Cc3ccccc3)nn21 ZINC000302011205 258081398 /nfs/dbraw/zinc/08/13/98/258081398.db2.gz WIXTXOOLZPCLKD-HNNXBMFYSA-N 1 0 352.398 2.714 20 5 FFBDRO C[C@H](NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000332009753 258209932 /nfs/dbraw/zinc/20/99/32/258209932.db2.gz ZEYFJWZERCNMNL-SUMWQHHRSA-N 1 0 363.483 2.990 20 5 FFBDRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCOc1cc(C)ccc1[N+](=O)[O-] ZINC000332088242 258213424 /nfs/dbraw/zinc/21/34/24/258213424.db2.gz JWPLJCBOSSBOOI-CVEARBPZSA-N 1 0 361.442 2.757 20 5 FFBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000332109098 258214406 /nfs/dbraw/zinc/21/44/06/258214406.db2.gz AIGQOMPQCCWSHK-BZUAXINKSA-N 1 0 360.458 2.871 20 5 FFBDRO CC(C)[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000332121571 258214800 /nfs/dbraw/zinc/21/48/00/258214800.db2.gz AFSDKPFZQWYSDC-LJQANCHMSA-N 1 0 374.485 2.616 20 5 FFBDRO C[C@H]1C[C@H](NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC[N@@H+]1C ZINC000332608924 258237201 /nfs/dbraw/zinc/23/72/01/258237201.db2.gz BEIAPZKVXFXAJR-WCQYABFASA-N 1 0 360.439 2.931 20 5 FFBDRO CC(C)C(=O)N1CCC([NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000331846483 258202648 /nfs/dbraw/zinc/20/26/48/258202648.db2.gz CFPNZUCUQHHHKW-HOTGVXAUSA-N 1 0 363.462 2.512 20 5 FFBDRO CCOc1ccc(C(=O)NCc2cccc(C[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000033084315 506334523 /nfs/dbraw/zinc/33/45/23/506334523.db2.gz ZEGWEPMXNDVHBE-UHFFFAOYSA-N 1 0 357.410 2.985 20 5 FFBDRO COc1cccc([C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2OC)[NH+](C)C)c1 ZINC000053271324 506345060 /nfs/dbraw/zinc/34/50/60/506345060.db2.gz MDLNKJRKPNNVND-KRWDZBQOSA-N 1 0 373.409 2.645 20 5 FFBDRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000065747555 506357096 /nfs/dbraw/zinc/35/70/96/506357096.db2.gz ZGXAOWCJANHLLO-UHFFFAOYSA-N 1 0 362.411 2.799 20 5 FFBDRO O=C(CNc1ccccc1[N+](=O)[O-])N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000065866560 506382330 /nfs/dbraw/zinc/38/23/30/506382330.db2.gz HBHXLNIIDITDDJ-QGZVFWFLSA-N 1 0 368.437 2.788 20 5 FFBDRO O=C(CC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)OCc1ccccc1 ZINC000373283276 512254294 /nfs/dbraw/zinc/25/42/94/512254294.db2.gz GDTXCJPGUHQPTK-UHFFFAOYSA-N 1 0 358.398 2.562 20 5 FFBDRO CC1CC[NH+](Cc2ccc(NC(=O)Cn3ccc([N+](=O)[O-])n3)cc2)CC1 ZINC000053619217 506417759 /nfs/dbraw/zinc/41/77/59/506417759.db2.gz CIALOEJDEKSEPA-UHFFFAOYSA-N 1 0 357.414 2.662 20 5 FFBDRO CC(=O)c1ccc(NCc2cccnc2N2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000066372837 506497207 /nfs/dbraw/zinc/49/72/07/506497207.db2.gz SQCSEDKJOKSXOC-UHFFFAOYSA-N 1 0 369.425 2.556 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000054348101 506540442 /nfs/dbraw/zinc/54/04/42/506540442.db2.gz IZFSOPTVZSOVFK-UHFFFAOYSA-N 1 0 358.398 2.857 20 5 FFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000371241212 512285772 /nfs/dbraw/zinc/28/57/72/512285772.db2.gz BXDSDVHBAXWBER-XJKSGUPXSA-N 1 0 351.834 2.781 20 5 FFBDRO CC(=O)c1ccc(N2CCC(CC[NH+]3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000377481195 512287238 /nfs/dbraw/zinc/28/72/38/512287238.db2.gz HKXKMCGLVNSVQT-UHFFFAOYSA-N 1 0 361.442 2.736 20 5 FFBDRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000054646899 506594520 /nfs/dbraw/zinc/59/45/20/506594520.db2.gz QZSZKNZDBDYUJE-HOTGVXAUSA-N 1 0 362.474 2.805 20 5 FFBDRO Cc1ccc(NC(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1[N+](=O)[O-] ZINC000043147970 506709318 /nfs/dbraw/zinc/70/93/18/506709318.db2.gz LPBKKJLWPOMPHX-ZIAGYGMSSA-N 1 0 350.419 2.524 20 5 FFBDRO COc1cccc([C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2C)[NH+](C)C)c1 ZINC000010018081 506722472 /nfs/dbraw/zinc/72/24/72/506722472.db2.gz HFEYVPQYDUTFJF-GOSISDBHSA-N 1 0 357.410 2.945 20 5 FFBDRO C[C@H]1C[C@H](C)C[NH+](CCCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000056067406 506923560 /nfs/dbraw/zinc/92/35/60/506923560.db2.gz MMWVVKOPOKWJSB-GJZGRUSLSA-N 1 0 369.487 2.631 20 5 FFBDRO C[NH+](C)[C@H](CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)c1ccccc1 ZINC000067811204 507015266 /nfs/dbraw/zinc/01/52/66/507015266.db2.gz NULUMIICLOMBCA-LJQANCHMSA-N 1 0 366.421 2.969 20 5 FFBDRO COc1ccc(CC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000067905852 507046568 /nfs/dbraw/zinc/04/65/68/507046568.db2.gz XFVDKSRAVKVIKF-HNNXBMFYSA-N 1 0 363.439 2.627 20 5 FFBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000068265789 507167510 /nfs/dbraw/zinc/16/75/10/507167510.db2.gz FKDGRCLEWAVVKL-DGCLKSJQSA-N 1 0 355.822 2.616 20 5 FFBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCN(c3cnn(C)c3)C2)cc1[N+](=O)[O-] ZINC000371313969 512323569 /nfs/dbraw/zinc/32/35/69/512323569.db2.gz PJYIRYOAXSKZCH-DZGCQCFKSA-N 1 0 359.430 2.657 20 5 FFBDRO CCCC[NH+]1CCC(NC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000068443376 507235167 /nfs/dbraw/zinc/23/51/67/507235167.db2.gz HZNKZGQSFBLWBQ-UHFFFAOYSA-N 1 0 365.430 2.606 20 5 FFBDRO CC(C)[N@@H+]1CCCN(C(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000068775369 507320254 /nfs/dbraw/zinc/32/02/54/507320254.db2.gz IIWSZYJTVFQSTI-ZDUSSCGKSA-N 1 0 369.849 2.958 20 5 FFBDRO C[C@H](CNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)C[NH+]1CCCC1 ZINC000047916733 507414068 /nfs/dbraw/zinc/41/40/68/507414068.db2.gz LGXJTDJTALVSPO-ZIAGYGMSSA-N 1 0 351.472 2.924 20 5 FFBDRO C[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCc2ccccc2C1 ZINC000025939324 507546479 /nfs/dbraw/zinc/54/64/79/507546479.db2.gz LLVJLHPSALIHPX-HNNXBMFYSA-N 1 0 353.422 2.700 20 5 FFBDRO O=C(COc1ccccc1[N+](=O)[O-])N1CC[NH+](CC2CCCCC2)CC1 ZINC000060579033 507565029 /nfs/dbraw/zinc/56/50/29/507565029.db2.gz SKUKBBUNOBLVTK-UHFFFAOYSA-N 1 0 361.442 2.698 20 5 FFBDRO CC(C)C[NH+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)CC(C)C ZINC000026647670 507600330 /nfs/dbraw/zinc/60/03/30/507600330.db2.gz MZUHCKKWMSIRCD-UHFFFAOYSA-N 1 0 351.403 2.876 20 5 FFBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000061192781 507601852 /nfs/dbraw/zinc/60/18/52/507601852.db2.gz WKRFTMGMWKKFHY-UHFFFAOYSA-N 1 0 371.441 2.767 20 5 FFBDRO O=c1[nH]cnc2cc(NC3CC[NH+](CC4CCCC4)CC3)c([N+](=O)[O-])cc21 ZINC000063282671 507711140 /nfs/dbraw/zinc/71/11/40/507711140.db2.gz YJUGACHBZFSVCN-UHFFFAOYSA-N 1 0 371.441 2.898 20 5 FFBDRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000051380778 507766459 /nfs/dbraw/zinc/76/64/59/507766459.db2.gz JWDVMLKHTGLNLA-GFCCVEGCSA-N 1 0 358.423 2.685 20 5 FFBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000029177986 507766716 /nfs/dbraw/zinc/76/67/16/507766716.db2.gz JIXFDJUXRITPSR-IBGZPJMESA-N 1 0 369.421 2.927 20 5 FFBDRO COc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000072729627 507848532 /nfs/dbraw/zinc/84/85/32/507848532.db2.gz IFXGIICPWLFZBD-UHFFFAOYSA-N 1 0 357.410 2.807 20 5 FFBDRO C[NH+](C)C1(CNc2ccc([N+](=O)[O-])cc2Br)CCOCC1 ZINC000078259945 507851931 /nfs/dbraw/zinc/85/19/31/507851931.db2.gz SNKHRWNCJAFAMS-UHFFFAOYSA-N 1 0 358.236 2.880 20 5 FFBDRO Cn1ccnc1C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000090003580 507899279 /nfs/dbraw/zinc/89/92/79/507899279.db2.gz RWKLRSAWXQGHJF-HNNXBMFYSA-N 1 0 371.441 2.612 20 5 FFBDRO O=C(C[C@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O)c1cccs1 ZINC000090559312 507927623 /nfs/dbraw/zinc/92/76/23/507927623.db2.gz SYDDCQVQUXFVAH-CYBMUJFWSA-N 1 0 361.423 2.555 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCCC4(C3)OCCO4)o2)c1 ZINC000090563087 507928054 /nfs/dbraw/zinc/92/80/54/507928054.db2.gz ZCKHCZQPDDFUOP-UHFFFAOYSA-N 1 0 359.382 2.631 20 5 FFBDRO O=C(NCCC[NH+]1CCCC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000079768360 508000085 /nfs/dbraw/zinc/00/00/85/508000085.db2.gz JBTJIZYGWLBFRP-UHFFFAOYSA-N 1 0 356.220 2.573 20 5 FFBDRO CC[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CC1 ZINC000110007092 508000251 /nfs/dbraw/zinc/00/02/51/508000251.db2.gz GUWRVJZFSWAAER-UHFFFAOYSA-N 1 0 360.458 2.753 20 5 FFBDRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000074323834 508012771 /nfs/dbraw/zinc/01/27/71/508012771.db2.gz ZTHBWHCWWGZSIG-CQSZACIVSA-N 1 0 365.861 2.981 20 5 FFBDRO COc1ccccc1[C@@H](CNc1ncc([N+](=O)[O-])c(N)n1)[NH+]1CCCCC1 ZINC000079948244 508018508 /nfs/dbraw/zinc/01/85/08/508018508.db2.gz BZQOIFHDOCTWMF-CQSZACIVSA-N 1 0 372.429 2.615 20 5 FFBDRO CCOCCO[C@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000092067293 508038739 /nfs/dbraw/zinc/03/87/39/508038739.db2.gz ATHNZHDATJOOQM-SFHVURJKSA-N 1 0 374.441 2.623 20 5 FFBDRO Cc1cc(N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)ncc1[N+](=O)[O-] ZINC000074747186 508051872 /nfs/dbraw/zinc/05/18/72/508051872.db2.gz PNONSQQXPGXJDT-KRWDZBQOSA-N 1 0 355.442 2.699 20 5 FFBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000074763990 508053234 /nfs/dbraw/zinc/05/32/34/508053234.db2.gz LBKXFQIZPZECRR-QGZVFWFLSA-N 1 0 360.458 2.797 20 5 FFBDRO C[C@@H](CNC(=O)CNc1ccccc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000110965702 508060672 /nfs/dbraw/zinc/06/06/72/508060672.db2.gz YHFINTVPEUVFJE-HNNXBMFYSA-N 1 0 356.426 2.643 20 5 FFBDRO CCOc1ccc(C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)cc1[N+](=O)[O-] ZINC000080463233 508075100 /nfs/dbraw/zinc/07/51/00/508075100.db2.gz AYKLSRPNSDGKNP-OAHLLOKOSA-N 1 0 361.442 2.797 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000080611360 508088901 /nfs/dbraw/zinc/08/89/01/508088901.db2.gz BRBMVCVVPPKVAK-UHFFFAOYSA-N 1 0 356.426 2.807 20 5 FFBDRO Nc1nc(-n2cccn2)cc(NCCCCc2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000092914795 508107669 /nfs/dbraw/zinc/10/76/69/508107669.db2.gz DNGRNRTUWGLSQU-UHFFFAOYSA-N 1 0 353.386 2.588 20 5 FFBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CC3=Cc4ccccc4OC3)C2)nc1 ZINC000093534453 508148147 /nfs/dbraw/zinc/14/81/47/508148147.db2.gz QRGUBYGOVDJBHR-INIZCTEOSA-N 1 0 352.394 2.952 20 5 FFBDRO CC[NH+](CC)C[C@H]1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000076004941 508150999 /nfs/dbraw/zinc/15/09/99/508150999.db2.gz GLJFPTZRPXJMHJ-CQSZACIVSA-N 1 0 359.430 2.809 20 5 FFBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000081333771 508163602 /nfs/dbraw/zinc/16/36/02/508163602.db2.gz NQKNYUSFNJREBT-HNNXBMFYSA-N 1 0 358.442 2.740 20 5 FFBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000081361453 508166800 /nfs/dbraw/zinc/16/68/00/508166800.db2.gz RBCNFEFMILDJCX-AWEZNQCLSA-N 1 0 360.458 2.973 20 5 FFBDRO C[C@H]1C[NH+](CCCCNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@H](C)O1 ZINC000085457042 508309476 /nfs/dbraw/zinc/30/94/76/508309476.db2.gz UEJPLLPHWAYBDS-KBPBESRZSA-N 1 0 374.441 2.695 20 5 FFBDRO O=C(COc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000114642918 508333742 /nfs/dbraw/zinc/33/37/42/508333742.db2.gz RPIQEFHMGPCLLL-SFHVURJKSA-N 1 0 369.421 2.754 20 5 FFBDRO CCCN(CC[NH+](C)C)C(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000104531361 508338104 /nfs/dbraw/zinc/33/81/04/508338104.db2.gz MQMVBDANUHVQTI-GFCCVEGCSA-N 1 0 357.838 2.816 20 5 FFBDRO Nc1c(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)cc(F)cc1[N+](=O)[O-] ZINC000114695022 508338737 /nfs/dbraw/zinc/33/87/37/508338737.db2.gz UUCJIICPBPUNGV-HNNXBMFYSA-N 1 0 372.400 2.711 20 5 FFBDRO C[C@H](O)C[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1CCCCC1 ZINC000104684652 508342132 /nfs/dbraw/zinc/34/21/32/508342132.db2.gz IMIZDMIWNJSROO-ZDUSSCGKSA-N 1 0 350.415 2.977 20 5 FFBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])c(C)s2)[C@H](C)C1 ZINC000115270945 508379739 /nfs/dbraw/zinc/37/97/39/508379739.db2.gz MJGLHZHQYKHUHG-TZMCWYRMSA-N 1 0 369.487 2.832 20 5 FFBDRO O=C(COc1cccc([N+](=O)[O-])c1)NCc1ccccc1C[NH+]1CCCC1 ZINC000106008407 508387736 /nfs/dbraw/zinc/38/77/36/508387736.db2.gz SDSPCTHWOGSUHG-UHFFFAOYSA-N 1 0 369.421 2.886 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)c1 ZINC000115417293 508392910 /nfs/dbraw/zinc/39/29/10/508392910.db2.gz BAYSQQVBYBXUGN-UHFFFAOYSA-N 1 0 361.373 2.734 20 5 FFBDRO CCOC(=O)c1ccnc(NCC[N@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000077932806 508393249 /nfs/dbraw/zinc/39/32/49/508393249.db2.gz RHBFRZWKPPRRAZ-UHFFFAOYSA-N 1 0 358.398 2.710 20 5 FFBDRO CCOC(=O)c1ccnc(N2CC[NH+](CCC(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000077932030 508393510 /nfs/dbraw/zinc/39/35/10/508393510.db2.gz LXEZJKDNCWXIKS-UHFFFAOYSA-N 1 0 364.446 2.725 20 5 FFBDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C1 ZINC000156413470 508416991 /nfs/dbraw/zinc/41/69/91/508416991.db2.gz YFKZRPKJNWPDDT-LSDHHAIUSA-N 1 0 360.458 2.785 20 5 FFBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000156436758 508421315 /nfs/dbraw/zinc/42/13/15/508421315.db2.gz SOPPHIDUCBEFKI-AWEZNQCLSA-N 1 0 356.426 2.947 20 5 FFBDRO O=C(C[C@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O)c1ccc(F)cc1 ZINC000133783025 508448923 /nfs/dbraw/zinc/44/89/23/508448923.db2.gz HWNBVACYQXXQMS-MRXNPFEDSA-N 1 0 373.384 2.633 20 5 FFBDRO COc1cc(N2CCC(OCC[NH+]3CCCC3)CC2)c([N+](=O)[O-])cc1F ZINC000127441622 508450568 /nfs/dbraw/zinc/45/05/68/508450568.db2.gz SFEGGPHZMZLTNV-UHFFFAOYSA-N 1 0 367.421 2.824 20 5 FFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@](C)(O)c1cccs1 ZINC000156941514 508500447 /nfs/dbraw/zinc/50/04/47/508500447.db2.gz SVKUUGSFLKRJLM-PXAZEXFGSA-N 1 0 363.439 2.871 20 5 FFBDRO O=[N+]([O-])c1ccc(OCCC[NH+]2CCN(c3cccc(O)c3)CC2)cc1 ZINC000122411038 508530334 /nfs/dbraw/zinc/53/03/34/508530334.db2.gz PNRPKXCGJQHSCJ-UHFFFAOYSA-N 1 0 357.410 2.892 20 5 FFBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCc2ccccc2C1 ZINC000117333185 508593667 /nfs/dbraw/zinc/59/36/67/508593667.db2.gz JWAFVBQSFRAKQN-UHFFFAOYSA-N 1 0 353.378 2.951 20 5 FFBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCC[NH+](C)C)cc1 ZINC000122834978 508594179 /nfs/dbraw/zinc/59/41/79/508594179.db2.gz KFCZXPVKRUPCGB-UHFFFAOYSA-N 1 0 359.382 2.687 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCOC4(CCOCC4)C3)o2)c1 ZINC000135603781 508630553 /nfs/dbraw/zinc/63/05/53/508630553.db2.gz TZUIKIRUCRMXOJ-UHFFFAOYSA-N 1 0 373.409 2.674 20 5 FFBDRO COC(=O)[C@@H](C)C[N@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000153729938 508636953 /nfs/dbraw/zinc/63/69/53/508636953.db2.gz ACTNXUGRZKYWKX-LBPRGKRZSA-N 1 0 363.414 2.505 20 5 FFBDRO C[NH+](C)[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1F)c1cccs1 ZINC000123178197 508647315 /nfs/dbraw/zinc/64/73/15/508647315.db2.gz CPJSVATZCNWMNX-AWEZNQCLSA-N 1 0 351.403 2.757 20 5 FFBDRO COc1cc(C[NH2+][C@@H](C)[C@@H](C)CO)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000123216872 508653732 /nfs/dbraw/zinc/65/37/32/508653732.db2.gz MMDZLICPBRLMTO-UWVGGRQHSA-N 1 0 366.336 2.651 20 5 FFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCCC[NH+]1CCOCC1 ZINC000136227600 508680163 /nfs/dbraw/zinc/68/01/63/508680163.db2.gz STRTXQBCSWHAGP-UHFFFAOYSA-N 1 0 367.471 2.549 20 5 FFBDRO O=C(CC[N@@H+]1CCc2ccccc2[C@@H]1CO)Nc1cc([N+](=O)[O-])ccc1F ZINC000129125244 508687821 /nfs/dbraw/zinc/68/78/21/508687821.db2.gz FSKMHCMNNNVTMB-SFHVURJKSA-N 1 0 373.384 2.654 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)[C@H](C)C1 ZINC000158418707 508701326 /nfs/dbraw/zinc/70/13/26/508701326.db2.gz YLQFHDVUSLADMN-GDBMZVCRSA-N 1 0 371.441 2.583 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)cnc1NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000154179232 508731430 /nfs/dbraw/zinc/73/14/30/508731430.db2.gz RWFBNXAHXKJXOD-HIFRSBDPSA-N 1 0 354.838 2.823 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)cnc1NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000154179471 508731853 /nfs/dbraw/zinc/73/18/53/508731853.db2.gz RWFBNXAHXKJXOD-DZGCQCFKSA-N 1 0 354.838 2.823 20 5 FFBDRO C[N@@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)C1 ZINC000137564480 508760340 /nfs/dbraw/zinc/76/03/40/508760340.db2.gz QLSHYUZFZHMNIZ-MRXNPFEDSA-N 1 0 368.437 2.888 20 5 FFBDRO C[C@@H]1C[C@H](N(C)CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000123942827 508760802 /nfs/dbraw/zinc/76/08/02/508760802.db2.gz WMKQORYTWWGCSF-DGCLKSJQSA-N 1 0 354.838 2.601 20 5 FFBDRO C[NH+](C)CC(C)(C)CNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000158893350 508765153 /nfs/dbraw/zinc/76/51/53/508765153.db2.gz FPIBMWIQPCQWJN-UHFFFAOYSA-N 1 0 358.236 2.675 20 5 FFBDRO C[C@H](Cc1ccc(O)cc1)[N@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000138369787 508772309 /nfs/dbraw/zinc/77/23/09/508772309.db2.gz NTDOLWXNKPETLH-CQSZACIVSA-N 1 0 369.421 2.753 20 5 FFBDRO Cn1cc([C@@H](O)C[C@@H]2CCC[N@@H+]2Cc2nc3cc([N+](=O)[O-])ccc3o2)cn1 ZINC000371464074 512416739 /nfs/dbraw/zinc/41/67/39/512416739.db2.gz OEDCMBAJGZXRLT-BBRMVZONSA-N 1 0 371.397 2.558 20 5 FFBDRO C[N@@H+]1CCC[C@H]2CN(CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)CC[C@@H]21 ZINC000139939994 508797665 /nfs/dbraw/zinc/79/76/65/508797665.db2.gz NAMXVAZLCAUTKH-WFASDCNBSA-N 1 0 366.849 2.603 20 5 FFBDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000124268806 508806848 /nfs/dbraw/zinc/80/68/48/508806848.db2.gz BPRWPWYEOUJXAE-INIZCTEOSA-N 1 0 363.458 2.848 20 5 FFBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[NH+](C2CCCCC2)CC1 ZINC000141839265 508819396 /nfs/dbraw/zinc/81/93/96/508819396.db2.gz RBEGLOGAFCQIRS-OAHLLOKOSA-N 1 0 360.458 2.872 20 5 FFBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000369458945 512419744 /nfs/dbraw/zinc/41/97/44/512419744.db2.gz SNGWOXXRYFTORW-ZIAGYGMSSA-N 1 0 367.833 2.760 20 5 FFBDRO Cc1sc(S(=O)(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)cc1[N+](=O)[O-] ZINC000124828163 508891058 /nfs/dbraw/zinc/89/10/58/508891058.db2.gz GUIMQKBWXHEIED-CYBMUJFWSA-N 1 0 373.500 2.508 20 5 FFBDRO CN(C)c1cccc([C@H]2CCC[N@@H+]2CCn2cc([N+](=O)[O-])ccc2=O)c1 ZINC000159850957 508900018 /nfs/dbraw/zinc/90/00/18/508900018.db2.gz WKIYBHGPKZGTKZ-GOSISDBHSA-N 1 0 356.426 2.660 20 5 FFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000119967983 508900704 /nfs/dbraw/zinc/90/07/04/508900704.db2.gz RABNTDQUBHHAAN-WBVHZDCISA-N 1 0 369.421 2.610 20 5 FFBDRO CC(C)[C@@H](C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)N1CCOCC1 ZINC000120035528 508914423 /nfs/dbraw/zinc/91/44/23/508914423.db2.gz MEBMUMBCCWVQBF-AZUAARDMSA-N 1 0 361.486 2.862 20 5 FFBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)CC[C@@H]21 ZINC000155120594 508928347 /nfs/dbraw/zinc/92/83/47/508928347.db2.gz BDTHXDIYRLQRGG-SJORKVTESA-N 1 0 372.469 2.751 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000120209269 508950681 /nfs/dbraw/zinc/95/06/81/508950681.db2.gz QZSGHVJNBOFYCJ-OAHLLOKOSA-N 1 0 369.487 2.550 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N(CC[NH+](C)C)Cc1ccc(C)o1 ZINC000151076655 508951692 /nfs/dbraw/zinc/95/16/92/508951692.db2.gz AWQIHBSYDSONDT-UHFFFAOYSA-N 1 0 361.398 2.709 20 5 FFBDRO C[C@H]1C[NH2+]CCN1C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000125703270 509018573 /nfs/dbraw/zinc/01/85/73/509018573.db2.gz ADLHEMUJYHZBFF-AWEZNQCLSA-N 1 0 354.410 2.641 20 5 FFBDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000155557453 509025820 /nfs/dbraw/zinc/02/58/20/509025820.db2.gz BCTZGVRMYMIVCB-AWEZNQCLSA-N 1 0 354.410 2.945 20 5 FFBDRO COc1ccc(NC(=O)CC[NH2+][C@@H]2CC(C)(C)OC2(C)C)c([N+](=O)[O-])c1 ZINC000132597528 509050778 /nfs/dbraw/zinc/05/07/78/509050778.db2.gz HUOHTDBWXPEAQZ-OAHLLOKOSA-N 1 0 365.430 2.868 20 5 FFBDRO CC(C)(C)[N@H+](CCn1cc([N+](=O)[O-])cn1)CC(=O)Nc1ccc(F)cc1 ZINC000152055708 509137888 /nfs/dbraw/zinc/13/78/88/509137888.db2.gz ICHLNEKPVLUHGF-UHFFFAOYSA-N 1 0 363.393 2.670 20 5 FFBDRO CCOC(=O)c1ccnc(NC[C@H](C)C[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000133410668 509156945 /nfs/dbraw/zinc/15/69/45/509156945.db2.gz VIZDXALLHHFDNL-ZDUSSCGKSA-N 1 0 350.419 2.700 20 5 FFBDRO CC[C@@H]([NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000162104595 509172437 /nfs/dbraw/zinc/17/24/37/509172437.db2.gz CHBMZGUAZOZEQK-CQSZACIVSA-N 1 0 369.468 2.676 20 5 FFBDRO CCOC(=O)c1ccnc(NCC[C@H](C)[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000182341532 509185331 /nfs/dbraw/zinc/18/53/31/509185331.db2.gz VIICSVUXXMPLKM-ZDUSSCGKSA-N 1 0 350.419 2.843 20 5 FFBDRO CCc1n[nH]c(C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)c1[N+](=O)[O-] ZINC000178982105 509212418 /nfs/dbraw/zinc/21/24/18/509212418.db2.gz RECUVFUUCGGBQH-UHFFFAOYSA-N 1 0 363.462 2.653 20 5 FFBDRO Cc1ccc([C@H](C)[NH2+]CCNS(=O)(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000162471862 509232077 /nfs/dbraw/zinc/23/20/77/509232077.db2.gz KTJVRWPPNBYGTM-AWEZNQCLSA-N 1 0 363.439 2.532 20 5 FFBDRO CCNC(=O)COc1cccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000266887431 509242024 /nfs/dbraw/zinc/24/20/24/509242024.db2.gz QIQLWUMRKUHPIE-AWEZNQCLSA-N 1 0 357.410 2.961 20 5 FFBDRO C[C@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H]1COc2ccccc21 ZINC000185595030 509255810 /nfs/dbraw/zinc/25/58/10/509255810.db2.gz MCGDLCQBOPSQEO-GUYCJALGSA-N 1 0 367.405 2.638 20 5 FFBDRO C[C@@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185697434 509310324 /nfs/dbraw/zinc/31/03/24/509310324.db2.gz ZUKWNLUWLYRZKR-CABCVRRESA-N 1 0 360.458 2.776 20 5 FFBDRO COc1ccc(C[NH2+]C2CCC(O)(c3cccnc3)CC2)cc1[N+](=O)[O-] ZINC000185703933 509313255 /nfs/dbraw/zinc/31/32/55/509313255.db2.gz HIZOZKPRAQPALW-UHFFFAOYSA-N 1 0 357.410 2.918 20 5 FFBDRO O=C(c1cccc([N+](=O)[O-])c1Br)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000182662589 509357578 /nfs/dbraw/zinc/35/75/78/509357578.db2.gz HAAURVAEZRYMRC-NSHDSACASA-N 1 0 368.231 2.668 20 5 FFBDRO Cc1c(Br)c(N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)ncc1[N+](=O)[O-] ZINC000228018074 509416162 /nfs/dbraw/zinc/41/61/62/509416162.db2.gz DLIUBYGRRRJULW-HBNTYKKESA-N 1 0 355.236 2.624 20 5 FFBDRO O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000264257378 509417011 /nfs/dbraw/zinc/41/70/11/509417011.db2.gz CGYRNSMFAKMWQP-KRWDZBQOSA-N 1 0 353.422 2.889 20 5 FFBDRO O=[N+]([O-])c1cccc(CNC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c1 ZINC000192357632 509479497 /nfs/dbraw/zinc/47/94/97/509479497.db2.gz FWPNEMPFRIDJBM-FQEVSTJZSA-N 1 0 355.438 2.976 20 5 FFBDRO Cc1nn(CCC(=O)NC[C@@H]([NH3+])c2ccc(C(C)C)cc2)c(C)c1[N+](=O)[O-] ZINC000236763891 509500123 /nfs/dbraw/zinc/50/01/23/509500123.db2.gz PKNAXQCFLOIJBM-QGZVFWFLSA-N 1 0 373.457 2.738 20 5 FFBDRO O=C1CCCN1C[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000179557955 509510232 /nfs/dbraw/zinc/51/02/32/509510232.db2.gz IRIZWMSNVHNZEM-RBUKOAKNSA-N 1 0 369.421 2.582 20 5 FFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000248898500 509536368 /nfs/dbraw/zinc/53/63/68/509536368.db2.gz UEKGQFYWMCULRP-CXAGYDPISA-N 1 0 357.385 2.984 20 5 FFBDRO CN(C)[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000237022925 509553381 /nfs/dbraw/zinc/55/33/81/509553381.db2.gz XCPWXXAQSALLRN-QGZVFWFLSA-N 1 0 369.425 2.981 20 5 FFBDRO COc1ccc(C[NH2+]CC2CCN(CC(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC000189458760 509584045 /nfs/dbraw/zinc/58/40/45/509584045.db2.gz RTNCKPCCAYIKIZ-UHFFFAOYSA-N 1 0 361.364 2.967 20 5 FFBDRO C[C@@H]1CCCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)[C@@H]1C[NH3+] ZINC000165915872 509589207 /nfs/dbraw/zinc/58/92/07/509589207.db2.gz FTMIYZIVRKREDF-NOZJJQNGSA-N 1 0 356.220 2.557 20 5 FFBDRO COc1ccc(CSCC(=O)NCC2([NH3+])CCCCC2)cc1[N+](=O)[O-] ZINC000237215233 509595469 /nfs/dbraw/zinc/59/54/69/509595469.db2.gz VTOFFICYJFESEE-UHFFFAOYSA-N 1 0 367.471 2.614 20 5 FFBDRO C[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000189519018 509616752 /nfs/dbraw/zinc/61/67/52/509616752.db2.gz VRAITJTZGSILLW-DYVFJYSZSA-N 1 0 363.439 2.565 20 5 FFBDRO C[NH2+]C[C@@H](C)CNC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000237340686 509626444 /nfs/dbraw/zinc/62/64/44/509626444.db2.gz SKDFBBQWSMUXBS-ZIAGYGMSSA-N 1 0 371.441 2.748 20 5 FFBDRO CN(CCCN1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000264655050 509626642 /nfs/dbraw/zinc/62/66/42/509626642.db2.gz PSYZUEYLUCJBHF-UHFFFAOYSA-N 1 0 360.380 2.687 20 5 FFBDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000237476521 509657445 /nfs/dbraw/zinc/65/74/45/509657445.db2.gz XXSCUXIABIOGGI-VHSXEESVSA-N 1 0 356.220 2.557 20 5 FFBDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000237511927 509665552 /nfs/dbraw/zinc/66/55/52/509665552.db2.gz KGEHGJGEYKRDNX-WCQYABFASA-N 1 0 360.439 2.918 20 5 FFBDRO COc1cc(CN2[C@@H]3CC[C@H]2CC(O)C3)c([N+](=O)[O-])cc1OCC(F)F ZINC000179913441 509670882 /nfs/dbraw/zinc/67/08/82/509670882.db2.gz HODBRJDXDHRWKA-FUNVUKJBSA-N 1 0 372.368 2.735 20 5 FFBDRO COc1cc(CN2CC[NH+](C3CC3)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000179917263 509672114 /nfs/dbraw/zinc/67/21/14/509672114.db2.gz DXFOCHGHCSTQDK-UHFFFAOYSA-N 1 0 371.384 2.527 20 5 FFBDRO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCCC[NH2+]C1CCCCC1 ZINC000189643845 509679721 /nfs/dbraw/zinc/67/97/21/509679721.db2.gz FXRGAONEYDBGQV-UHFFFAOYSA-N 1 0 355.460 2.723 20 5 FFBDRO C[C@H]1CCC[N@H+](CCCCNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000189681385 509700349 /nfs/dbraw/zinc/70/03/49/509700349.db2.gz PKMZWDXRBAQODC-AWEZNQCLSA-N 1 0 369.487 2.922 20 5 FFBDRO Cc1cc(C)n(CCC[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237658231 509702389 /nfs/dbraw/zinc/70/23/89/509702389.db2.gz LKPUMZRBRPTPFF-UHFFFAOYSA-N 1 0 368.441 2.989 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2noc(CN3CCC[C@@H]3C[NH+]3CCCC3)n2)c1 ZINC000170695220 509727946 /nfs/dbraw/zinc/72/79/46/509727946.db2.gz DUVFSOJXHTYOOP-MRXNPFEDSA-N 1 0 357.414 2.705 20 5 FFBDRO C[C@H]1C[C@@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000268045687 509734016 /nfs/dbraw/zinc/73/40/16/509734016.db2.gz ZKIQKUSCJINTAH-GXSJLCMTSA-N 1 0 368.231 2.712 20 5 FFBDRO Cn1cc(C(=O)N[C@H](C[NH3+])C2CCCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237888153 509762607 /nfs/dbraw/zinc/76/26/07/509762607.db2.gz MOLQVMSODWTINR-QGZVFWFLSA-N 1 0 371.441 2.633 20 5 FFBDRO COc1ccc(CN2CCC[C@@H]2C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000249817390 509768403 /nfs/dbraw/zinc/76/84/03/509768403.db2.gz LNBTWUQUIWXTQT-YQQAZPJKSA-N 1 0 363.458 2.677 20 5 FFBDRO CC(C)C[NH+]1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000176927933 509771642 /nfs/dbraw/zinc/77/16/42/509771642.db2.gz XQWCBRCRXHMKGE-UHFFFAOYSA-N 1 0 370.247 2.771 20 5 FFBDRO COc1ccc(OCC[NH2+][C@](C)(CO)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000173788412 509779499 /nfs/dbraw/zinc/77/94/99/509779499.db2.gz WSSLZCZZAFWRFA-GOSISDBHSA-N 1 0 352.431 2.903 20 5 FFBDRO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000237971408 509789739 /nfs/dbraw/zinc/78/97/39/509789739.db2.gz ZGNFVJRKGNYBRS-FUNVUKJBSA-N 1 0 358.423 2.731 20 5 FFBDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000176974553 509792425 /nfs/dbraw/zinc/79/24/25/509792425.db2.gz LZDPXTGJQABDJP-INIZCTEOSA-N 1 0 368.437 2.771 20 5 FFBDRO COc1ccc(C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000177057533 509843921 /nfs/dbraw/zinc/84/39/21/509843921.db2.gz HYGZOIVGXRYZPD-UHFFFAOYSA-N 1 0 361.373 2.604 20 5 FFBDRO O=C(Nc1ccncc1[N+](=O)[O-])NC1CC[NH+](CCc2ccccc2)CC1 ZINC000183587643 509873228 /nfs/dbraw/zinc/87/32/28/509873228.db2.gz NBIYIXDPAUGNCW-UHFFFAOYSA-N 1 0 369.425 2.818 20 5 FFBDRO CCC[NH+]1CCC(N(C)C(=O)NCc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000171047374 509907791 /nfs/dbraw/zinc/90/77/91/509907791.db2.gz XIPNZSOPEAEDJH-UHFFFAOYSA-N 1 0 364.446 2.619 20 5 FFBDRO Cn1cccc1[C@@H]1CCCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000245407837 509912098 /nfs/dbraw/zinc/91/20/98/509912098.db2.gz DDDWLHPUNDTHLB-APWZRJJASA-N 1 0 359.426 2.900 20 5 FFBDRO COc1cc(NC(=O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc(OC)c1 ZINC000180447322 509929999 /nfs/dbraw/zinc/92/99/99/509929999.db2.gz PFCVKDZITCZQDC-LBPRGKRZSA-N 1 0 359.382 2.901 20 5 FFBDRO CC(C)[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1Cl ZINC000183704211 509936472 /nfs/dbraw/zinc/93/64/72/509936472.db2.gz QCRHAQLZYWQWSZ-XJKSGUPXSA-N 1 0 352.822 2.793 20 5 FFBDRO COCCC[NH+]1CCC(NC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000171148805 509968820 /nfs/dbraw/zinc/96/88/20/509968820.db2.gz VCPOPJRWUVRPTD-UHFFFAOYSA-N 1 0 350.419 2.526 20 5 FFBDRO COCCC[NH+]1CCC(NC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000171149363 509970758 /nfs/dbraw/zinc/97/07/58/509970758.db2.gz TWMOJQQVNYZMHA-UHFFFAOYSA-N 1 0 370.837 2.871 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000193585067 509977716 /nfs/dbraw/zinc/97/77/16/509977716.db2.gz RUJQZKYSENXXBL-CYBMUJFWSA-N 1 0 373.413 2.535 20 5 FFBDRO Cc1c(NC(=O)[C@@H](C)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000261673580 510020964 /nfs/dbraw/zinc/02/09/64/510020964.db2.gz HUBIZJKJNRFKGY-HYVNUMGLSA-N 1 0 368.437 2.657 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[NH2+]C[C@@H]1c1cccc(F)c1 ZINC000261764250 510053410 /nfs/dbraw/zinc/05/34/10/510053410.db2.gz OGFKQNOJSLIIOE-GOSISDBHSA-N 1 0 372.400 2.627 20 5 FFBDRO C[C@@H]1CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)[C@H](C[NH3+])C1 ZINC000261759744 510054326 /nfs/dbraw/zinc/05/43/26/510054326.db2.gz JQJAEHONNQERKC-CVEARBPZSA-N 1 0 363.461 2.741 20 5 FFBDRO C[NH+]1CCN(Cc2cccc(C(=O)Nc3cccc([N+](=O)[O-])c3)c2)CC1 ZINC000174357753 510076269 /nfs/dbraw/zinc/07/62/69/510076269.db2.gz ABKUXSDRZSWTEQ-UHFFFAOYSA-N 1 0 354.410 2.595 20 5 FFBDRO Cc1cccc(CN(CC[NH+](C)C)C(=O)c2cc([N+](=O)[O-])cnc2C)c1 ZINC000171338222 510089605 /nfs/dbraw/zinc/08/96/05/510089605.db2.gz ZVJYZXZULRIBSA-UHFFFAOYSA-N 1 0 356.426 2.811 20 5 FFBDRO C[N@@H+]1CCC[C@H]2CN(c3ccc([N+](=O)[O-])c(C(=O)N4CCCC4)c3)CC[C@H]21 ZINC000268865953 510108284 /nfs/dbraw/zinc/10/82/84/510108284.db2.gz SPABZKQFWDOCBF-MAUKXSAKSA-N 1 0 372.469 2.751 20 5 FFBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000171389423 510126327 /nfs/dbraw/zinc/12/63/27/510126327.db2.gz VSFDCAKGHYDGLV-OAHLLOKOSA-N 1 0 360.458 2.730 20 5 FFBDRO Cc1nn(CCC(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)c(C)c1[N+](=O)[O-] ZINC000187215905 510128842 /nfs/dbraw/zinc/12/88/42/510128842.db2.gz CFRFYXWNCRAMQM-YJYMSZOUSA-N 1 0 373.457 2.606 20 5 FFBDRO Cn1cc(C[NH2+]C[C@](C)(O)c2ccco2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000174527872 510159941 /nfs/dbraw/zinc/15/99/41/510159941.db2.gz YSAVIWRNUPXWQI-SFHVURJKSA-N 1 0 356.382 2.586 20 5 FFBDRO CCO[C@H]1C[C@@]([NH3+])(C(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)C1(C)C ZINC000187283959 510170839 /nfs/dbraw/zinc/17/08/39/510170839.db2.gz PFBRCUQWVLSCED-WMLDXEAASA-N 1 0 369.849 2.739 20 5 FFBDRO C[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)CC1(O)CCCCCC1 ZINC000187330005 510200172 /nfs/dbraw/zinc/20/01/72/510200172.db2.gz UJDUTWSPBPXWSJ-UHFFFAOYSA-N 1 0 361.442 2.501 20 5 FFBDRO CCc1ccc([C@H]2C[NH2+]CCN2C(=O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000262196288 510206976 /nfs/dbraw/zinc/20/69/76/510206976.db2.gz KBPYLUWBWFYFMC-LJQANCHMSA-N 1 0 369.421 2.709 20 5 FFBDRO COc1ccccc1[C@H]1C[NH2+]CCN1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000262263858 510225114 /nfs/dbraw/zinc/22/51/14/510225114.db2.gz RPCNQFCNDWRWHY-QGZVFWFLSA-N 1 0 357.410 2.759 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)c1 ZINC000174664349 510237421 /nfs/dbraw/zinc/23/74/21/510237421.db2.gz OHEPXTVVXYXRKN-HZPDHXFCSA-N 1 0 350.806 2.547 20 5 FFBDRO O=C(C[C@H]1COCC[NH2+]1)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000262317103 510241897 /nfs/dbraw/zinc/24/18/97/510241897.db2.gz CJDPRZVJLKDDRY-AWEZNQCLSA-N 1 0 357.366 2.704 20 5 FFBDRO C[C@@H]1C[C@@H](NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C[N@@H+]1C1CC1 ZINC000177788013 510253573 /nfs/dbraw/zinc/25/35/73/510253573.db2.gz MRLUWPJXGYKOCY-GDBMZVCRSA-N 1 0 360.458 2.842 20 5 FFBDRO CC[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](C)c1cc2ccccc2o1 ZINC000174749422 510290320 /nfs/dbraw/zinc/29/03/20/510290320.db2.gz ZTXWGCZHPKVOAW-BBRMVZONSA-N 1 0 358.398 2.982 20 5 FFBDRO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)NC1CC[NH+](CC2CC2)CC1 ZINC000184418967 510315257 /nfs/dbraw/zinc/31/52/57/510315257.db2.gz GRWJMUPRAXKNHS-UHFFFAOYSA-N 1 0 366.849 2.922 20 5 FFBDRO O=C(NCC[C@H]1CC[NH2+]C1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000262576899 510323022 /nfs/dbraw/zinc/32/30/22/510323022.db2.gz KEUFDIIPBMWUAU-MRXNPFEDSA-N 1 0 368.437 2.936 20 5 FFBDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000269288768 510325677 /nfs/dbraw/zinc/32/56/77/510325677.db2.gz UBXZWOHCHHLKLF-QZTJIDSGSA-N 1 0 358.442 2.896 20 5 FFBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000174819447 510327358 /nfs/dbraw/zinc/32/73/58/510327358.db2.gz ISMQWZOOEWKVPE-GJZGRUSLSA-N 1 0 371.224 2.688 20 5 FFBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N[C@H](C[NH3+])C3CC3)cc2[N+](=O)[O-])C1 ZINC000262591309 510328716 /nfs/dbraw/zinc/32/87/16/510328716.db2.gz TWGPGZKYQZMXNS-DVOMOZLQSA-N 1 0 360.458 2.544 20 5 FFBDRO CC[C@H]([NH2+]CC(=O)NCc1ccc(OC)cc1)c1cccc([N+](=O)[O-])c1 ZINC000177925858 510330092 /nfs/dbraw/zinc/33/00/92/510330092.db2.gz QBXDNZHHYZMBQN-SFHVURJKSA-N 1 0 357.410 2.961 20 5 FFBDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000269299348 510330798 /nfs/dbraw/zinc/33/07/98/510330798.db2.gz XECOIKSUNOAYAH-UWVGGRQHSA-N 1 0 356.220 2.557 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)c1 ZINC000269323032 510339939 /nfs/dbraw/zinc/33/99/39/510339939.db2.gz JSPOPONQZWYIKI-UHFFFAOYSA-N 1 0 362.474 2.598 20 5 FFBDRO CC[C@]1(CO)CCCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000187618674 510355291 /nfs/dbraw/zinc/35/52/91/510355291.db2.gz XTCYLCPGMWORGF-INIZCTEOSA-N 1 0 355.822 2.671 20 5 FFBDRO COC[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)c1ccco1 ZINC000184519740 510369071 /nfs/dbraw/zinc/36/90/71/510369071.db2.gz GODWHWDGQKCWMC-CQSZACIVSA-N 1 0 363.370 2.502 20 5 FFBDRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000181385107 510385275 /nfs/dbraw/zinc/38/52/75/510385275.db2.gz NBPQDZKSBJDRPA-CYBMUJFWSA-N 1 0 371.393 2.574 20 5 FFBDRO NC(=O)c1ccc(C[NH+]2CCC(COc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000171829977 510395876 /nfs/dbraw/zinc/39/58/76/510395876.db2.gz ULCPSGJDBSONHD-UHFFFAOYSA-N 1 0 369.421 2.985 20 5 FFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174953672 510404302 /nfs/dbraw/zinc/40/43/02/510404302.db2.gz YOTIBZCYEWAWFF-QGZVFWFLSA-N 1 0 368.437 2.892 20 5 FFBDRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000175017744 510438859 /nfs/dbraw/zinc/43/88/59/510438859.db2.gz INPLEWFYGKULQB-DZGCQCFKSA-N 1 0 351.834 2.876 20 5 FFBDRO C[N@@H+]1CCC[C@H]1CNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000194604292 510441785 /nfs/dbraw/zinc/44/17/85/510441785.db2.gz ABJSAQGGFPPUSH-INIZCTEOSA-N 1 0 369.421 2.998 20 5 FFBDRO O=C(c1ccn([C@@H]2CCC[NH2+]C2)n1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000262889193 510459443 /nfs/dbraw/zinc/45/94/43/510459443.db2.gz ZWLYUZQXGJFTDI-QGZVFWFLSA-N 1 0 369.425 2.521 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N[C@H]3CC[NH2+][C@H](C)C3)cc2[N+](=O)[O-])CC1 ZINC000262900614 510466119 /nfs/dbraw/zinc/46/61/19/510466119.db2.gz PPIUAJHBZRSQQW-ZBFHGGJFSA-N 1 0 360.458 2.701 20 5 FFBDRO Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2N)c(OCC[NH+](C)C)c1 ZINC000178202454 510486759 /nfs/dbraw/zinc/48/67/59/510486759.db2.gz FIYRYGJUGSGESA-UHFFFAOYSA-N 1 0 358.398 2.678 20 5 FFBDRO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000184730336 510488033 /nfs/dbraw/zinc/48/80/33/510488033.db2.gz VRIKDTPKIJSWMD-LLVKDONJSA-N 1 0 352.822 2.532 20 5 FFBDRO C[N@@H+]1CCC[C@H]1CNC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000194723298 510496508 /nfs/dbraw/zinc/49/65/08/510496508.db2.gz LUIVBYLMIYHAPD-LBPRGKRZSA-N 1 0 374.363 2.626 20 5 FFBDRO Cc1cc(S(=O)(=O)N(CC(C)C)C2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000172018553 510500893 /nfs/dbraw/zinc/50/08/93/510500893.db2.gz QHYSWDUYPDKVMS-UHFFFAOYSA-N 1 0 369.487 2.644 20 5 FFBDRO COc1ccc(C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000181675417 510534057 /nfs/dbraw/zinc/53/40/57/510534057.db2.gz KRPPUPZSWBOKND-ZFWWWQNUSA-N 1 0 361.442 2.986 20 5 FFBDRO C[C@H](CS(C)(=O)=O)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000172121775 510553420 /nfs/dbraw/zinc/55/34/20/510553420.db2.gz GYPXLPAGWHQWBX-LLVKDONJSA-N 1 0 354.453 2.846 20 5 FFBDRO CCN(CCC[NH+]1CCCC1)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000188117231 510602783 /nfs/dbraw/zinc/60/27/83/510602783.db2.gz DIAHZGZJTAIAHX-UHFFFAOYSA-N 1 0 371.441 2.729 20 5 FFBDRO CC[NH+]1CCN([C@H]2CCN(C(=O)c3ccc(C(C)C)c([N+](=O)[O-])c3)C2)CC1 ZINC000188124166 510606924 /nfs/dbraw/zinc/60/69/24/510606924.db2.gz JHTOISHYOYJFNH-KRWDZBQOSA-N 1 0 374.485 2.570 20 5 FFBDRO C[C@@H](CCNC(=O)c1ccc([N+](=O)[O-])c([O-])c1)[N@H+](C)Cc1ccccc1 ZINC000175386053 510619501 /nfs/dbraw/zinc/61/95/01/510619501.db2.gz DGQCWWGDHDMWNB-AWEZNQCLSA-N 1 0 357.410 2.941 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@H]2c2ccccc2Cl)c1 ZINC000246702111 510625432 /nfs/dbraw/zinc/62/54/32/510625432.db2.gz JPGQVJPDOLUNSU-CJNGLKHVSA-N 1 0 350.806 2.643 20 5 FFBDRO CCC1(CC)[C@H]([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C[C@H]1OC ZINC000191373845 510627821 /nfs/dbraw/zinc/62/78/21/510627821.db2.gz LXIDLIDJOLOCQV-HZPDHXFCSA-N 1 0 365.430 2.725 20 5 FFBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)c2c(c1)COCO2 ZINC000269994374 510633111 /nfs/dbraw/zinc/63/31/11/510633111.db2.gz PXOKYTYGFFDDKX-CGTJXYLNSA-N 1 0 360.410 2.899 20 5 FFBDRO C[NH+]1CCC([C@@H]2CCN(C(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)C2)CC1 ZINC000270079216 510664446 /nfs/dbraw/zinc/66/44/46/510664446.db2.gz IHPLGOAXFMVLFM-OAHLLOKOSA-N 1 0 356.426 2.880 20 5 FFBDRO CCS[C@@H]1CC[C@H]([N@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000181931717 510666492 /nfs/dbraw/zinc/66/64/92/510666492.db2.gz OUSDZZUUMCWSGQ-SOUVJXGZSA-N 1 0 354.472 2.941 20 5 FFBDRO C[N@@H+](Cc1ccccc1N1CCOCC1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000178569896 510668390 /nfs/dbraw/zinc/66/83/90/510668390.db2.gz XEQYRUWHDIPNLG-HXUWFJFHSA-N 1 0 371.437 2.597 20 5 FFBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000246812554 510689337 /nfs/dbraw/zinc/68/93/37/510689337.db2.gz NJYNWJUTOZPPFZ-CLCXKQKWSA-N 1 0 372.469 2.871 20 5 FFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000195154621 510691217 /nfs/dbraw/zinc/69/12/17/510691217.db2.gz AKLJPKVVLJVREA-UHFFFAOYSA-N 1 0 354.410 2.824 20 5 FFBDRO NC(=O)C[C@@H]([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CCCCC1 ZINC000182013529 510708080 /nfs/dbraw/zinc/70/80/80/510708080.db2.gz HIQNTZAWZWGUON-OAHLLOKOSA-N 1 0 373.413 2.559 20 5 FFBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(C)c2)[C@@H](C)C1 ZINC000246868027 510718873 /nfs/dbraw/zinc/71/88/73/510718873.db2.gz RZXXLUITEWCKIC-DOTOQJQBSA-N 1 0 363.458 2.770 20 5 FFBDRO Cc1ccc(C[C@@H](CO)[NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000191587648 510739153 /nfs/dbraw/zinc/73/91/53/510739153.db2.gz JAIAXLDSJMFWRX-YJBOKZPZSA-N 1 0 371.437 2.814 20 5 FFBDRO CC(C)[NH+]1CCC(N(C)C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000270273717 510744077 /nfs/dbraw/zinc/74/40/77/510744077.db2.gz KSVLCMNUGIUUQP-UHFFFAOYSA-N 1 0 358.442 2.950 20 5 FFBDRO CN(C(=O)CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000246993748 510788243 /nfs/dbraw/zinc/78/82/43/510788243.db2.gz WNZXZSBSQSZGGJ-HNAYVOBHSA-N 1 0 372.469 2.506 20 5 FFBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000195340035 510791438 /nfs/dbraw/zinc/79/14/38/510791438.db2.gz LLXBNWBWWFRODC-UHFFFAOYSA-N 1 0 373.461 2.668 20 5 FFBDRO Cc1cccc(OCC[N@@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000182190933 510805496 /nfs/dbraw/zinc/80/54/96/510805496.db2.gz ZTHKRDUEMGHUST-MRXNPFEDSA-N 1 0 360.410 2.654 20 5 FFBDRO COC(=O)[C@H]1CCCC[C@]1(C)[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000270434289 510807435 /nfs/dbraw/zinc/80/74/35/510807435.db2.gz JUFHNQVNPFHOAT-KDOFPFPSSA-N 1 0 374.397 2.856 20 5 FFBDRO CC(=O)Nc1cccc([C@@H](C)[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000182205329 510812719 /nfs/dbraw/zinc/81/27/19/510812719.db2.gz CMWVWFOPRVAKOI-CXAGYDPISA-N 1 0 373.409 2.644 20 5 FFBDRO CCn1cc([N+](=O)[O-])c(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)n1 ZINC000191760179 510818048 /nfs/dbraw/zinc/81/80/48/510818048.db2.gz YSZNETAEFYZLIS-UHFFFAOYSA-N 1 0 371.441 2.727 20 5 FFBDRO [NH3+]CC1(CC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CCCCC1 ZINC000185353580 510820195 /nfs/dbraw/zinc/82/01/95/510820195.db2.gz CJVQONDAWSAJHC-UHFFFAOYSA-N 1 0 360.458 2.543 20 5 FFBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)n1 ZINC000191782410 510829149 /nfs/dbraw/zinc/82/91/49/510829149.db2.gz SFQOPESBFIWDIU-UHFFFAOYSA-N 1 0 363.462 2.539 20 5 FFBDRO CCCN(C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CC[NH2+]C1 ZINC000178913366 510832525 /nfs/dbraw/zinc/83/25/25/510832525.db2.gz ABLPHTQOZUYLEX-CQSZACIVSA-N 1 0 360.439 2.932 20 5 FFBDRO CC(C)c1nccn1CCC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000188585437 510834975 /nfs/dbraw/zinc/83/49/75/510834975.db2.gz FTNGNDDERBYPJX-UHFFFAOYSA-N 1 0 358.398 2.595 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000182285773 510844197 /nfs/dbraw/zinc/84/41/97/510844197.db2.gz HJNJEEPPCSDIOC-LBPRGKRZSA-N 1 0 357.366 2.921 20 5 FFBDRO O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CC[NH+]2CCC1CC2 ZINC000188624614 510846778 /nfs/dbraw/zinc/84/67/78/510846778.db2.gz MRTGGAHFTBUPRL-UHFFFAOYSA-N 1 0 358.423 2.639 20 5 FFBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000247454068 510861287 /nfs/dbraw/zinc/86/12/87/510861287.db2.gz QLJYHESONXMVPU-GDBMZVCRSA-N 1 0 360.458 2.607 20 5 FFBDRO CCCN(CC[NH+]1CCCC1)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000285388366 510886703 /nfs/dbraw/zinc/88/67/03/510886703.db2.gz AILGLFKATCCJJW-UHFFFAOYSA-N 1 0 359.430 2.953 20 5 FFBDRO Cc1csc2nc(C[N@H+](C)CCc3ccccc3[N+](=O)[O-])cc(=O)n12 ZINC000285440082 510907616 /nfs/dbraw/zinc/90/76/16/510907616.db2.gz XLVDCJNQIYKHTC-UHFFFAOYSA-N 1 0 358.423 2.647 20 5 FFBDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])C2)C1 ZINC000293964412 510912191 /nfs/dbraw/zinc/91/21/91/510912191.db2.gz UCEKATJJXJMODU-MRXNPFEDSA-N 1 0 369.874 2.895 20 5 FFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000361035446 510984096 /nfs/dbraw/zinc/98/40/96/510984096.db2.gz ZQBGNAVEJWZFSK-IFXJQAMLSA-N 1 0 368.437 2.939 20 5 FFBDRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000270801239 510988221 /nfs/dbraw/zinc/98/82/21/510988221.db2.gz MACWWXIRTDQYHH-ROUUACIJSA-N 1 0 358.442 2.896 20 5 FFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](O)c1cnn(C)c1 ZINC000271073581 511075695 /nfs/dbraw/zinc/07/56/95/511075695.db2.gz FTWFWWVZGQDQNY-HIFRSBDPSA-N 1 0 350.444 2.522 20 5 FFBDRO COC(=O)[C@H]1CC12CC[NH+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)CC2 ZINC000271194618 511116395 /nfs/dbraw/zinc/11/63/95/511116395.db2.gz QWLFNAQPFSPPIQ-CYBMUJFWSA-N 1 0 370.352 2.971 20 5 FFBDRO O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000294716830 511153749 /nfs/dbraw/zinc/15/37/49/511153749.db2.gz UTQNQXRTURRYCX-INIZCTEOSA-N 1 0 369.425 2.685 20 5 FFBDRO COc1ccccc1[C@@H](C)[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000298091694 511172455 /nfs/dbraw/zinc/17/24/55/511172455.db2.gz SJUJWPZBOUQERS-CYBMUJFWSA-N 1 0 355.394 2.843 20 5 FFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCC3(CCOCC3)[C@H]2O)c(Cl)c1 ZINC000282959917 511177708 /nfs/dbraw/zinc/17/77/08/511177708.db2.gz YIZAIBPPCYKJBI-CJNGLKHVSA-N 1 0 354.834 2.906 20 5 FFBDRO C[C@H]1CN(c2c(Br)cncc2[N+](=O)[O-])CCN(C2CC2)C1 ZINC000294877920 511207030 /nfs/dbraw/zinc/20/70/30/511207030.db2.gz FRQWACXZFHAGKT-SNVBAGLBSA-N 1 0 355.236 2.673 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)[C@H](C)C1 ZINC000294946457 511230021 /nfs/dbraw/zinc/23/00/21/511230021.db2.gz LUVFCFLGNLFLRY-ACJLOTCBSA-N 1 0 371.441 2.787 20 5 FFBDRO C[NH+]1CCC(N(Cc2ccco2)C(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000298306895 511241352 /nfs/dbraw/zinc/24/13/52/511241352.db2.gz NGJKFUWFIOVPTC-UHFFFAOYSA-N 1 0 357.410 2.853 20 5 FFBDRO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(C2CCOCC2)C1=O ZINC000365098131 511255199 /nfs/dbraw/zinc/25/51/99/511255199.db2.gz HZVFRJNLKGKLGA-GOSISDBHSA-N 1 0 361.442 2.585 20 5 FFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000279902662 511259837 /nfs/dbraw/zinc/25/98/37/511259837.db2.gz DPCOWYFQDZHIGA-OAHLLOKOSA-N 1 0 361.442 2.797 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1SC ZINC000362958215 511279238 /nfs/dbraw/zinc/27/92/38/511279238.db2.gz PDPLYUNKRPDHQR-NEPJUHHUSA-N 1 0 365.455 2.682 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000298443524 511286409 /nfs/dbraw/zinc/28/64/09/511286409.db2.gz ZGPRYQKXWPXMBA-ZBFHGGJFSA-N 1 0 369.368 2.909 20 5 FFBDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000291737720 511316477 /nfs/dbraw/zinc/31/64/77/511316477.db2.gz AZAPOQVMSVSQNP-SNVBAGLBSA-N 1 0 358.236 2.816 20 5 FFBDRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+][C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000283319750 511320125 /nfs/dbraw/zinc/32/01/25/511320125.db2.gz ZOIPDKNZJYOJNT-GMTAPVOTSA-N 1 0 371.821 2.753 20 5 FFBDRO CCC(=O)N1CCCN([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000363085536 511343554 /nfs/dbraw/zinc/34/35/54/511343554.db2.gz XQPDJYGTBIKDRF-ZDUSSCGKSA-N 1 0 373.413 2.650 20 5 FFBDRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C)C1 ZINC000283427144 511362877 /nfs/dbraw/zinc/36/28/77/511362877.db2.gz HCWMJRMPLWSAFV-AWEZNQCLSA-N 1 0 358.446 2.558 20 5 FFBDRO COCCC[N@H+](C)CCNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000291865849 511370302 /nfs/dbraw/zinc/37/03/02/511370302.db2.gz HBHYGIXMXLJPKJ-UHFFFAOYSA-N 1 0 364.229 2.600 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCC(F)(F)[C@@H](CO)C3)o2)c1 ZINC000291907058 511386665 /nfs/dbraw/zinc/38/66/65/511386665.db2.gz RPZXGUGPHHOGGM-CYBMUJFWSA-N 1 0 367.352 2.742 20 5 FFBDRO Cc1nc2ccccc2n1C1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000280272724 511401795 /nfs/dbraw/zinc/40/17/95/511401795.db2.gz RFWLFLZROFYRSM-UHFFFAOYSA-N 1 0 354.414 2.787 20 5 FFBDRO C[N@H+]1CC=C(CNC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000272022804 511403800 /nfs/dbraw/zinc/40/38/00/511403800.db2.gz VNCJYXTYLHJTEO-UHFFFAOYSA-N 1 0 356.329 2.580 20 5 FFBDRO Cc1c(C(=O)N[C@H](C)C[N@@H+](C)C(C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000291957764 511406808 /nfs/dbraw/zinc/40/68/08/511406808.db2.gz RATHBQGIWAVFAF-SNVBAGLBSA-N 1 0 352.391 2.578 20 5 FFBDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000272250225 511480160 /nfs/dbraw/zinc/48/01/60/511480160.db2.gz YHBNMAYDDJLTNJ-CHWSQXEVSA-N 1 0 355.341 2.553 20 5 FFBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000295845537 511533537 /nfs/dbraw/zinc/53/35/37/511533537.db2.gz WUEMOPJBRWJASL-WMLDXEAASA-N 1 0 359.426 2.643 20 5 FFBDRO CC(C)[N@@H+]1CCCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000292315866 511549963 /nfs/dbraw/zinc/54/99/63/511549963.db2.gz BAGHCSVVTUIPIM-ZDUSSCGKSA-N 1 0 368.865 2.991 20 5 FFBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000299201221 511550432 /nfs/dbraw/zinc/55/04/32/511550432.db2.gz VRFVXQPQCNKKSV-UHFFFAOYSA-N 1 0 360.458 2.751 20 5 FFBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC([NH+]2CCCCC2)CC1 ZINC000299337480 511597752 /nfs/dbraw/zinc/59/77/52/511597752.db2.gz IWTFWZBMGLIPIW-OAHLLOKOSA-N 1 0 360.458 2.872 20 5 FFBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000273867398 511637567 /nfs/dbraw/zinc/63/75/67/511637567.db2.gz PINZQPXLUNBDMB-CYBMUJFWSA-N 1 0 351.422 2.812 20 5 FFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](CO)[C@H]1CCOC1 ZINC000280895474 511644839 /nfs/dbraw/zinc/64/48/39/511644839.db2.gz PIFYPTIXRSWRCJ-SOUVJXGZSA-N 1 0 354.472 2.700 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCCCCC[NH+]1CCCC1 ZINC000296203181 511654224 /nfs/dbraw/zinc/65/42/24/511654224.db2.gz DPQPVGVBANFUPQ-UHFFFAOYSA-N 1 0 364.446 2.669 20 5 FFBDRO C[C@@H]1C[N@@H+](CCCNc2ncc(Br)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000301710504 511700733 /nfs/dbraw/zinc/70/07/33/511700733.db2.gz XOBUUCUZPBXXOE-PHIMTYICSA-N 1 0 373.251 2.664 20 5 FFBDRO CCC[C@H](C)C(=O)NCC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000292837955 511739741 /nfs/dbraw/zinc/73/97/41/511739741.db2.gz YFTKYZCVFRLEGX-AWEZNQCLSA-N 1 0 373.457 2.637 20 5 FFBDRO Cn1ccnc1[C@H]1N(C(=O)NCCc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000296506915 511771651 /nfs/dbraw/zinc/77/16/51/511771651.db2.gz OIKDQHPUJGMXDC-OAHLLOKOSA-N 1 0 357.414 2.664 20 5 FFBDRO C[N@@H+]1CCC[C@]2(CCN(Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)C2)C1 ZINC000293001158 511802038 /nfs/dbraw/zinc/80/20/38/511802038.db2.gz OWCODVMRMAGMHX-SFHVURJKSA-N 1 0 357.414 2.563 20 5 FFBDRO O=C(N[C@H]1CC[NH2+]C2(CCC2)C1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000316947416 511804234 /nfs/dbraw/zinc/80/42/34/511804234.db2.gz HPTHKWINSBSLJS-LBPRGKRZSA-N 1 0 368.231 2.762 20 5 FFBDRO Cc1c(NC(=O)CC[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)cccc1[N+](=O)[O-] ZINC000293076019 511830152 /nfs/dbraw/zinc/83/01/52/511830152.db2.gz VWUXABDMORVWTR-IBGZPJMESA-N 1 0 360.458 2.650 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000281682172 511929869 /nfs/dbraw/zinc/92/98/69/511929869.db2.gz USBQMQWRPAMMRB-HOTGVXAUSA-N 1 0 361.442 2.615 20 5 FFBDRO O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000364060075 511936005 /nfs/dbraw/zinc/93/60/05/511936005.db2.gz KOSYAPMQVMJUBH-KRWDZBQOSA-N 1 0 372.469 2.895 20 5 FFBDRO CCOc1ccc([C@H](C)[NH2+]CCCCCS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000274770179 511936774 /nfs/dbraw/zinc/93/67/74/511936774.db2.gz HEGYBBVGGMWMSJ-ZDUSSCGKSA-N 1 0 358.460 2.859 20 5 FFBDRO C[C@H](NC(=O)N1CCN(Cc2cccnc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000296999442 511981093 /nfs/dbraw/zinc/98/10/93/511981093.db2.gz YWHFEBWHEDSGOU-HNNXBMFYSA-N 1 0 369.425 2.578 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000281880846 511999553 /nfs/dbraw/zinc/99/95/53/511999553.db2.gz GFDHKYZXBQTVLU-OLZOCXBDSA-N 1 0 350.419 2.940 20 5 FFBDRO COc1ccc([C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)C[C@@H]2[NH3+])cc1F ZINC000297113987 512025574 /nfs/dbraw/zinc/02/55/74/512025574.db2.gz GAWINYXWQVKENX-RDJZCZTQSA-N 1 0 373.384 2.700 20 5 FFBDRO C[C@H]([NH2+]CCCS(=O)(=O)c1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293620843 512029904 /nfs/dbraw/zinc/02/99/04/512029904.db2.gz HBSIOTWBZZXUDC-ZDUSSCGKSA-N 1 0 363.439 2.692 20 5 FFBDRO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC[N@@H+](C2CCC2)C1 ZINC000293665009 512044527 /nfs/dbraw/zinc/04/45/27/512044527.db2.gz JTTLKJYPCWNLQV-CQSZACIVSA-N 1 0 360.458 2.607 20 5 FFBDRO C[C@@H]([NH2+]Cc1ccc(CS(C)(=O)=O)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293751990 512074068 /nfs/dbraw/zinc/07/40/68/512074068.db2.gz OGCONENWTKNHTR-GFCCVEGCSA-N 1 0 363.439 2.572 20 5 FFBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000364404783 512106862 /nfs/dbraw/zinc/10/68/62/512106862.db2.gz PCFCPYZMRVSISL-YOEHRIQHSA-N 1 0 354.410 2.630 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(CC(=O)NCC[NH+](C(C)C)C(C)C)c1F ZINC000411144083 512488523 /nfs/dbraw/zinc/48/85/23/512488523.db2.gz JBONIWAMEHYFAF-UHFFFAOYSA-N 1 0 355.410 2.520 20 5 FFBDRO Cc1c(NC(=O)[C@H](C)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000375784136 512505587 /nfs/dbraw/zinc/50/55/87/512505587.db2.gz GTNLCDAHAVPPOF-VNQPRFMTSA-N 1 0 360.458 2.789 20 5 FFBDRO CN1CCC([N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])c4cccnc34)C2)CC1 ZINC000367517298 512538690 /nfs/dbraw/zinc/53/86/90/512538690.db2.gz KWCRFFPMYHYKAU-CQSZACIVSA-N 1 0 355.442 2.723 20 5 FFBDRO CC[C@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369691615 512556682 /nfs/dbraw/zinc/55/66/82/512556682.db2.gz IZISJFVZNAVVHD-GJZGRUSLSA-N 1 0 363.462 2.608 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(CC(=O)NC[C@H](C)C[NH+]2CCCCC2)c1F ZINC000411537466 512678796 /nfs/dbraw/zinc/67/87/96/512678796.db2.gz VFNLMXZSKOCHGZ-ZDUSSCGKSA-N 1 0 367.421 2.523 20 5 FFBDRO O=C(CC[NH2+][C@@H]1CCCC[C@H]1n1cccn1)Nc1ccccc1[N+](=O)[O-] ZINC000411559442 512688939 /nfs/dbraw/zinc/68/89/39/512688939.db2.gz NQNIUBXJOHJUDX-GDBMZVCRSA-N 1 0 357.414 2.893 20 5 FFBDRO Cc1c([C@H](C)[NH2+][C@H]2CCN(c3ccccc3C(N)=O)C2)cccc1[N+](=O)[O-] ZINC000376193880 512703155 /nfs/dbraw/zinc/70/31/55/512703155.db2.gz GMGZWZRCGCRMGK-GJZGRUSLSA-N 1 0 368.437 2.932 20 5 FFBDRO Cn1ncc2c1CCC[C@@H]2[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000374211259 512708224 /nfs/dbraw/zinc/70/82/24/512708224.db2.gz MZOSNIBJUNAPNN-HNNXBMFYSA-N 1 0 357.414 2.666 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(c2c[nH]cn2)CC1 ZINC000374211415 512708249 /nfs/dbraw/zinc/70/82/49/512708249.db2.gz KEIMZUOWMCSSQL-UHFFFAOYSA-N 1 0 357.414 2.835 20 5 FFBDRO C[C@H]1CN(c2ccc([N+](=O)[O-])c3cccnc32)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000374306568 512757058 /nfs/dbraw/zinc/75/70/58/512757058.db2.gz AVAFTHWHGXTUJC-DOTOQJQBSA-N 1 0 369.469 2.605 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(CC(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)c1F ZINC000411735118 512784869 /nfs/dbraw/zinc/78/48/69/512784869.db2.gz JDPHQQRDSDQMMM-CYBMUJFWSA-N 1 0 367.421 2.522 20 5 FFBDRO COC[C@@H]1CCCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000376365524 512787290 /nfs/dbraw/zinc/78/72/90/512787290.db2.gz FKMXQSDDYUWZIB-CQSZACIVSA-N 1 0 365.430 2.681 20 5 FFBDRO COc1ccc(NC(=O)CC[N@@H+]2CCSC[C@@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000411783215 512809267 /nfs/dbraw/zinc/80/92/67/512809267.db2.gz FNAPVHFLQGCUJX-MRXNPFEDSA-N 1 0 365.455 2.759 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000376486582 512839552 /nfs/dbraw/zinc/83/95/52/512839552.db2.gz URXCJPDBYVXBOA-UHFFFAOYSA-N 1 0 373.413 2.535 20 5 FFBDRO COc1cccc([C@H]2C[C@H](C)C[N@@H+]2CCn2cc([N+](=O)[O-])ccc2=O)c1 ZINC000378639136 512861140 /nfs/dbraw/zinc/86/11/40/512861140.db2.gz DPBGPSSFWATKAO-KBXCAEBGSA-N 1 0 357.410 2.848 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1CCc2nc(C(C)C)[nH]c2C1 ZINC000372453329 512883173 /nfs/dbraw/zinc/88/31/73/512883173.db2.gz CGDLZHRCVVRHHT-LBPRGKRZSA-N 1 0 372.425 2.871 20 5 FFBDRO O=C(CC[NH2+]C1(CO)C2CC3CC(C2)CC1C3)Nc1ccccc1[N+](=O)[O-] ZINC000411999020 512907831 /nfs/dbraw/zinc/90/78/31/512907831.db2.gz ATMNDDITUNHXNR-UHFFFAOYSA-N 1 0 373.453 2.700 20 5 FFBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC000412110896 512965563 /nfs/dbraw/zinc/96/55/63/512965563.db2.gz DZWMPAYWSASLAM-ZDUSSCGKSA-N 1 0 367.421 2.666 20 5 FFBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000372616822 512971492 /nfs/dbraw/zinc/97/14/92/512971492.db2.gz FJLPECHTZNHDEG-GXTWGEPZSA-N 1 0 366.849 2.745 20 5 FFBDRO C[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)[C@@H](c2ccccc2)C1 ZINC000412214342 512999457 /nfs/dbraw/zinc/99/94/57/512999457.db2.gz GHQYQPGQECJZFR-MTQWCTHYSA-N 1 0 365.433 2.912 20 5 FFBDRO C[C@H](NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000412229577 513004619 /nfs/dbraw/zinc/00/46/19/513004619.db2.gz HSBCBGZSBVERME-DZGCQCFKSA-N 1 0 363.483 2.990 20 5 FFBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC(c3nc(-c4ccccc4)no3)CC2)n1 ZINC000372717051 513013122 /nfs/dbraw/zinc/01/31/22/513013122.db2.gz QFCGDUOJXCRURE-UHFFFAOYSA-N 1 0 368.397 2.721 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(CC(=O)NCC[N@@H+]2CCCC(C)(C)C2)c1F ZINC000412292335 513027868 /nfs/dbraw/zinc/02/78/68/513027868.db2.gz MDWAQFDYKHREFS-UHFFFAOYSA-N 1 0 367.421 2.523 20 5 FFBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1 ZINC000412371751 513056420 /nfs/dbraw/zinc/05/64/20/513056420.db2.gz YQOCRIFTQOZLOO-ITOHMHRPSA-N 1 0 357.454 2.887 20 5 FFBDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000445904615 513144278 /nfs/dbraw/zinc/14/42/78/513144278.db2.gz RXVGSNZSQCQTAM-HUUCEWRRSA-N 1 0 360.458 2.925 20 5 FFBDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000439684852 513162117 /nfs/dbraw/zinc/16/21/17/513162117.db2.gz MKMUTHFSTGZHNP-MRXNPFEDSA-N 1 0 363.458 2.990 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000428959519 513233552 /nfs/dbraw/zinc/23/35/52/513233552.db2.gz YDTSWUVZSIQEKI-SDDRHHMPSA-N 1 0 355.822 2.520 20 5 FFBDRO Cc1ccc([C@@H](C)NC(=O)NCCC[NH2+]Cc2cccnc2)cc1[N+](=O)[O-] ZINC000417852898 513238815 /nfs/dbraw/zinc/23/88/15/513238815.db2.gz OOMYRYYCMYHGOS-OAHLLOKOSA-N 1 0 371.441 2.838 20 5 FFBDRO Cc1nc(N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)ncc1[N+](=O)[O-] ZINC000450537588 513240436 /nfs/dbraw/zinc/24/04/36/513240436.db2.gz DZGPVLMVAWHSSJ-SJORKVTESA-N 1 0 353.426 2.652 20 5 FFBDRO Cn1cc(C[N@@H+]2CCC[C@@H](CCO)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000421403031 513249717 /nfs/dbraw/zinc/24/97/17/513249717.db2.gz WTQGWEVUZOZEQZ-OAHLLOKOSA-N 1 0 358.442 2.980 20 5 FFBDRO Cc1c(NC(=O)CCN2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000429044413 513265457 /nfs/dbraw/zinc/26/54/57/513265457.db2.gz UHWNZPVDCTYUHB-YZVOILCLSA-N 1 0 374.485 2.894 20 5 FFBDRO Cc1c(NC(=O)[C@H](C)N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000429041006 513265584 /nfs/dbraw/zinc/26/55/84/513265584.db2.gz NTDWPAFPWWLPCP-GTACMHHNSA-N 1 0 374.485 2.892 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)NCC[C@@H]3CC[NH2+]C3)cc2[N+](=O)[O-])C1 ZINC000429103088 513278451 /nfs/dbraw/zinc/27/84/51/513278451.db2.gz BNAJYOKZCYWWOF-CABCVRRESA-N 1 0 360.458 2.561 20 5 FFBDRO COc1ccc([C@H]2CC[NH2+]C[C@@H]2NC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000415496115 513292144 /nfs/dbraw/zinc/29/21/44/513292144.db2.gz GDQKUTHBYPWYOJ-MSOLQXFVSA-N 1 0 370.409 2.871 20 5 FFBDRO CCc1ccccc1[C@H]([NH3+])CNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000417947577 513299823 /nfs/dbraw/zinc/29/98/23/513299823.db2.gz SKQZZZUCUXQIIA-GOSISDBHSA-N 1 0 356.426 2.699 20 5 FFBDRO C[N@H+](Cc1ccccc1)C1(CNc2ccc3ncc([N+](=O)[O-])n3n2)CCC1 ZINC000450708851 513310730 /nfs/dbraw/zinc/31/07/30/513310730.db2.gz DEZNVMDSFKPQBO-UHFFFAOYSA-N 1 0 366.425 2.526 20 5 FFBDRO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000434439944 513323999 /nfs/dbraw/zinc/32/39/99/513323999.db2.gz WIBOXUGNHXFZIO-HNNXBMFYSA-N 1 0 369.425 2.527 20 5 FFBDRO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000434444799 513324548 /nfs/dbraw/zinc/32/45/48/513324548.db2.gz FNWZILMWUMUXIT-KRWDZBQOSA-N 1 0 372.469 2.942 20 5 FFBDRO COC(=O)[C@H]1CC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@H]1C(C)C ZINC000429357109 513350795 /nfs/dbraw/zinc/35/07/95/513350795.db2.gz XTOVJNRLDRCUPU-HOCLYGCPSA-N 1 0 374.397 2.664 20 5 FFBDRO C[C@@H]1CN(c2ccc3ncc([N+](=O)[O-])n3n2)CC[N@H+](Cc2ccccc2)C1 ZINC000450814449 513352193 /nfs/dbraw/zinc/35/21/93/513352193.db2.gz VHTQNOLYQCKUTP-HNNXBMFYSA-N 1 0 366.425 2.596 20 5 FFBDRO O=C(c1cccc([N+](=O)[O-])c1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424997534 513359713 /nfs/dbraw/zinc/35/97/13/513359713.db2.gz CGLKKXWCPWACLL-PKOBYXMFSA-N 1 0 351.406 2.941 20 5 FFBDRO Cc1c(NC(=O)N[C@H]2C[NH2+]CC[C@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC000415648344 513361937 /nfs/dbraw/zinc/36/19/37/513361937.db2.gz BOPZOPRTAMEBHS-PELKAZGASA-N 1 0 371.235 2.785 20 5 FFBDRO Cc1c(NC(=O)NCC[C@H]2CC[NH2+]C2)cc(Br)cc1[N+](=O)[O-] ZINC000415661300 513367250 /nfs/dbraw/zinc/36/72/50/513367250.db2.gz QDCQMFSZWIICHG-SNVBAGLBSA-N 1 0 371.235 2.787 20 5 FFBDRO CN(CC(C)(C)C[NH3+])C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000418086467 513367355 /nfs/dbraw/zinc/36/73/55/513367355.db2.gz CLIQBYPVSSJMQP-UHFFFAOYSA-N 1 0 362.352 2.740 20 5 FFBDRO C[NH2+]C[C@@H]1CCCN1C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000418088704 513367387 /nfs/dbraw/zinc/36/73/87/513367387.db2.gz KVYQIPDYUIRDHF-LBPRGKRZSA-N 1 0 360.336 2.507 20 5 FFBDRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000418087750 513367888 /nfs/dbraw/zinc/36/78/88/513367888.db2.gz IASNUWMUBKWOAQ-ZWNOBZJWSA-N 1 0 374.363 2.930 20 5 FFBDRO CCCC[C@H](C[NH3+])NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000418087783 513367897 /nfs/dbraw/zinc/36/78/97/513367897.db2.gz IEKKYQNDUFPBRU-GFCCVEGCSA-N 1 0 362.352 2.930 20 5 FFBDRO CC1(C)CN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC[NH2+]1 ZINC000418088936 513368052 /nfs/dbraw/zinc/36/80/52/513368052.db2.gz LFZRQWXUJWMKFI-UHFFFAOYSA-N 1 0 360.336 2.507 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(CC[NH+](C)C)C1CCCCC1 ZINC000429403677 513368109 /nfs/dbraw/zinc/36/81/09/513368109.db2.gz KQZDZEDKUGZFFN-UHFFFAOYSA-N 1 0 369.487 2.788 20 5 FFBDRO Cc1c(NC(=O)N[C@@H]2CCC[NH2+]C2)cc(Br)cc1[N+](=O)[O-] ZINC000415666345 513370351 /nfs/dbraw/zinc/37/03/51/513370351.db2.gz WQFDQPWJHIZDQW-SNVBAGLBSA-N 1 0 357.208 2.539 20 5 FFBDRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000418107571 513375301 /nfs/dbraw/zinc/37/53/01/513375301.db2.gz FBFUFFIGPUELSM-HUUCEWRRSA-N 1 0 359.426 2.742 20 5 FFBDRO Cc1c(Br)cc(C(=O)N(C)C[C@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000421709776 513380431 /nfs/dbraw/zinc/38/04/31/513380431.db2.gz HBFYHPWEZZAFHQ-GFCCVEGCSA-N 1 0 370.247 2.832 20 5 FFBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000421709103 513380979 /nfs/dbraw/zinc/38/09/79/513380979.db2.gz CNOXTDNWQKVOHO-GFCCVEGCSA-N 1 0 356.220 2.524 20 5 FFBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000421711323 513382629 /nfs/dbraw/zinc/38/26/29/513382629.db2.gz OJWHZOZYBYRMBQ-QMMMGPOBSA-N 1 0 362.249 2.585 20 5 FFBDRO [NH3+][C@H]1CCC[C@@H](NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000415708109 513392471 /nfs/dbraw/zinc/39/24/71/513392471.db2.gz WVMKXLSLMXFLER-VHSXEESVSA-N 1 0 357.208 2.749 20 5 FFBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NCc2ccc([C@H](C)[NH3+])cc2)cc1OC ZINC000429508481 513395333 /nfs/dbraw/zinc/39/53/33/513395333.db2.gz CAPPXCBXGOWDQH-LBPRGKRZSA-N 1 0 373.409 2.952 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)c2cccnc21 ZINC000413139512 513474996 /nfs/dbraw/zinc/47/49/96/513474996.db2.gz NPAXIULPKAHRBO-HNNXBMFYSA-N 1 0 356.426 2.692 20 5 FFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]Cc2nccn2CC(F)(F)F)n1 ZINC000447531441 513498359 /nfs/dbraw/zinc/49/83/59/513498359.db2.gz RDCHKONOKCUTQC-RYUDHWBXSA-N 1 0 372.351 2.824 20 5 FFBDRO CC(C)(C)OC(=O)CCC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447531045 513499140 /nfs/dbraw/zinc/49/91/40/513499140.db2.gz PSEWDKZNYULCBL-ZIAGYGMSSA-N 1 0 352.435 2.987 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@H](CO)Cc2ccccc2)n1 ZINC000447545127 513503728 /nfs/dbraw/zinc/50/37/28/513503728.db2.gz XIRMNLWJYJRBNI-FGTMMUONSA-N 1 0 358.442 2.716 20 5 FFBDRO CCNC(=O)c1ccc(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000447564773 513509461 /nfs/dbraw/zinc/50/94/61/513509461.db2.gz ZCNPQEKJSDOETJ-DLBZAZTESA-N 1 0 371.441 2.815 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@H](CO)Cc2ccc(F)cc2)n1 ZINC000447597249 513518199 /nfs/dbraw/zinc/51/81/99/513518199.db2.gz RYXGRAYNFZEDPV-YESZJQIVSA-N 1 0 362.405 2.607 20 5 FFBDRO C[C@H]([NH2+]CC(=O)NC(=O)N[C@H]1CCCC[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000451100601 513519980 /nfs/dbraw/zinc/51/99/80/513519980.db2.gz VSRYDXSKJDCZBR-XEZPLFJOSA-N 1 0 362.430 2.650 20 5 FFBDRO O=C(Nc1ccc2c(c1)C[NH2+]C2)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000416005582 513534030 /nfs/dbraw/zinc/53/40/30/513534030.db2.gz ITULCOPBWQRYGK-UHFFFAOYSA-N 1 0 367.409 2.552 20 5 FFBDRO CC1(CNC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CC[NH2+]CC1 ZINC000418511509 513540225 /nfs/dbraw/zinc/54/02/25/513540225.db2.gz CTDHVLAEXVHHNB-MRXNPFEDSA-N 1 0 360.458 2.874 20 5 FFBDRO COc1cc(CN2CCC[C@@H]([C@@H](C)[NH3+])C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000435372944 513567405 /nfs/dbraw/zinc/56/74/05/513567405.db2.gz CDEAVCXIKUJYMR-VXGBXAGGSA-N 1 0 373.400 2.807 20 5 FFBDRO O=C(NCCC1=CC[NH2+]CC1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000418604594 513574216 /nfs/dbraw/zinc/57/42/16/513574216.db2.gz RLOQJYWGMTZEKF-KRWDZBQOSA-N 1 0 358.442 2.794 20 5 FFBDRO CC(C)C[C@H](CNc1cc(CN2CCOCC2)ccc1[N+](=O)[O-])[NH+](C)C ZINC000447815704 513579445 /nfs/dbraw/zinc/57/94/45/513579445.db2.gz FZPBNOWPFLDRRT-QGZVFWFLSA-N 1 0 364.490 2.815 20 5 FFBDRO COc1cc(C(=O)NCC[N@@H+]2CCCC(C)(C)C2)c([N+](=O)[O-])cc1F ZINC000451221629 513604830 /nfs/dbraw/zinc/60/48/30/513604830.db2.gz ZMSXIXCJIGTUTA-UHFFFAOYSA-N 1 0 353.394 2.594 20 5 FFBDRO Cc1c(Br)c(NCCCC[N@@H+](C)C2CC2)ncc1[N+](=O)[O-] ZINC000413343659 513605349 /nfs/dbraw/zinc/60/53/49/513605349.db2.gz BNNVKQNZHKAIQZ-UHFFFAOYSA-N 1 0 357.252 2.769 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCC[C@@H](n4ccnn4)C3)o2)c1 ZINC000425521396 513619169 /nfs/dbraw/zinc/61/91/69/513619169.db2.gz ZPBJZBBPKAJBRV-MRXNPFEDSA-N 1 0 368.397 2.721 20 5 FFBDRO Cc1ncsc1CN(C[C@H]1CC[NH2+]C1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000435604097 513632912 /nfs/dbraw/zinc/63/29/12/513632912.db2.gz NEQUHAZJZIJTCQ-AWEZNQCLSA-N 1 0 374.466 2.541 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3C[C@H](O)C[C@H]3[C@H]3CCCOC3)co2)cc1 ZINC000451302936 513663866 /nfs/dbraw/zinc/66/38/66/513663866.db2.gz LNBRRMVPEVDKEE-QGTPRVQTSA-N 1 0 373.409 2.612 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H]1COc1ccccc1 ZINC000451310742 513668155 /nfs/dbraw/zinc/66/81/55/513668155.db2.gz GMYZLQOMHCPPQX-DLBZAZTESA-N 1 0 372.421 2.878 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000451344439 513689867 /nfs/dbraw/zinc/68/98/67/513689867.db2.gz PQQCJBRYMRLTFB-UXLLHSPISA-N 1 0 361.442 2.857 20 5 FFBDRO Cc1cc(C(=O)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)cn2)ccc1[N+](=O)[O-] ZINC000448191882 513703973 /nfs/dbraw/zinc/70/39/73/513703973.db2.gz SQHDLHLTSWVMIS-MRXNPFEDSA-N 1 0 369.425 2.691 20 5 FFBDRO Cc1cc(OCC(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000430683738 513721823 /nfs/dbraw/zinc/72/18/23/513721823.db2.gz KUJLCVJSJFLZDT-INIZCTEOSA-N 1 0 361.442 2.663 20 5 FFBDRO CC1(C)CCC[NH2+][C@H]1CNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000430726048 513734048 /nfs/dbraw/zinc/73/40/48/513734048.db2.gz VHVBCCSTVHXQSK-HNNXBMFYSA-N 1 0 369.849 2.912 20 5 FFBDRO CO[C@]1(C)C[C@H]([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1(C)C ZINC000451482198 513778173 /nfs/dbraw/zinc/77/81/73/513778173.db2.gz CJSYFASDFFNSJB-XJKSGUPXSA-N 1 0 355.822 2.980 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)C[C@@H]1C ZINC000416462478 513783920 /nfs/dbraw/zinc/78/39/20/513783920.db2.gz QPQAACDWGBRDMG-LSDHHAIUSA-N 1 0 369.487 2.705 20 5 FFBDRO COc1ccc(NC(=O)C[NH2+][C@@H]2C[C@@H](OC(C)C)C2(C)C)c([N+](=O)[O-])c1 ZINC000451499175 513789788 /nfs/dbraw/zinc/78/97/88/513789788.db2.gz MMHVUUCCXXOWRD-HZPDHXFCSA-N 1 0 365.430 2.724 20 5 FFBDRO CC(C)(CNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)[NH+]1CCCCC1 ZINC000448581509 513793961 /nfs/dbraw/zinc/79/39/61/513793961.db2.gz KIZJMXRGUXYXIJ-UHFFFAOYSA-N 1 0 371.441 2.775 20 5 FFBDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000448590722 513798093 /nfs/dbraw/zinc/79/80/93/513798093.db2.gz DLYUMVATVORGGK-OAHLLOKOSA-N 1 0 361.442 2.938 20 5 FFBDRO C[C@H]1CC[N@H+](C)CCN1C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000431039545 513812027 /nfs/dbraw/zinc/81/20/27/513812027.db2.gz XNHJQOGRRYNPAG-JTQLQIEISA-N 1 0 356.220 2.524 20 5 FFBDRO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000451588551 513850593 /nfs/dbraw/zinc/85/05/93/513850593.db2.gz QPBNSIUAGRXYMG-YPMHNXCESA-N 1 0 369.805 2.508 20 5 FFBDRO CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000451592829 513855423 /nfs/dbraw/zinc/85/54/23/513855423.db2.gz ROUSMKSNOYDQIV-MJBXVCDLSA-N 1 0 363.414 2.633 20 5 FFBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000448723771 513866489 /nfs/dbraw/zinc/86/64/89/513866489.db2.gz IVAJDXYFKRMOSJ-NWDGAFQWSA-N 1 0 357.332 2.970 20 5 FFBDRO Cc1c(NC(=O)CC[NH2+][C@H]([C@H](CO)C2CC2)C2CC2)cccc1[N+](=O)[O-] ZINC000451617369 513867716 /nfs/dbraw/zinc/86/77/16/513867716.db2.gz XSFIRZSTTBXRRJ-BEFAXECRSA-N 1 0 361.442 2.619 20 5 FFBDRO C[C@H]1[C@@H](NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CCC[N@@H+]1C ZINC000426209176 513872621 /nfs/dbraw/zinc/87/26/21/513872621.db2.gz HNBBBWYXCAPQAC-HZMBPMFUSA-N 1 0 374.363 2.896 20 5 FFBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)C[NH+]1CCCCC1 ZINC000448751170 513879962 /nfs/dbraw/zinc/87/99/62/513879962.db2.gz KQKZRCOGWQMOTO-OAHLLOKOSA-N 1 0 371.441 2.632 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(C)C(C)(C)C[NH+]1CCCC1 ZINC000416665910 513896489 /nfs/dbraw/zinc/89/64/89/513896489.db2.gz VOVIFNJIAPNCEJ-UHFFFAOYSA-N 1 0 369.487 2.707 20 5 FFBDRO CCC[NH+]1CCC(CNC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)CC1 ZINC000448845251 513928176 /nfs/dbraw/zinc/92/81/76/513928176.db2.gz PSSJJPOEYZJEGQ-UHFFFAOYSA-N 1 0 371.441 2.837 20 5 FFBDRO CN(CC(C)(C)C[NH3+])C(=O)c1cccc2c1[nH]c1c(F)cccc1c2=O ZINC000422902395 513971447 /nfs/dbraw/zinc/97/14/47/513971447.db2.gz UPPUPXBMNASKSX-UHFFFAOYSA-N 1 0 355.413 2.877 20 5 FFBDRO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000448926556 513973957 /nfs/dbraw/zinc/97/39/57/513973957.db2.gz VASZAVZBULFIOV-CQSZACIVSA-N 1 0 369.425 2.732 20 5 FFBDRO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)CC(C)(C)CN1CCOCC1 ZINC000443655293 514014295 /nfs/dbraw/zinc/01/42/95/514014295.db2.gz YZLUTFLVPPGSDO-UHFFFAOYSA-N 1 0 365.474 2.654 20 5 FFBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]Cc1nc2ncccn2n1 ZINC000414259161 514026532 /nfs/dbraw/zinc/02/65/32/514026532.db2.gz GQRRXJAHVCBHFQ-HIFRSBDPSA-N 1 0 352.398 2.534 20 5 FFBDRO CC[NH+](CC)[C@H](CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)CC(C)C ZINC000443756075 514037856 /nfs/dbraw/zinc/03/78/56/514037856.db2.gz MCEGONIZEJPPAX-KRWDZBQOSA-N 1 0 371.503 2.771 20 5 FFBDRO Cc1c(Br)c(N2CCC3(CC[NH2+]C3)CC2)ncc1[N+](=O)[O-] ZINC000420254307 514061874 /nfs/dbraw/zinc/06/18/74/514061874.db2.gz CSJGBRARHGSORY-UHFFFAOYSA-N 1 0 355.236 2.641 20 5 FFBDRO C[C@](CO)([NH2+]CCn1ccc([N+](=O)[O-])n1)c1cc(Cl)cc(Cl)c1 ZINC000451912575 514066006 /nfs/dbraw/zinc/06/60/06/514066006.db2.gz PGEWGNPELZDVJB-CQSZACIVSA-N 1 0 359.213 2.595 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccc(CS(C)(=O)=O)c1 ZINC000449114239 514078413 /nfs/dbraw/zinc/07/84/13/514078413.db2.gz IFXLHHRGGUJSQV-AWEZNQCLSA-N 1 0 362.451 2.860 20 5 FFBDRO C[NH2+][C@H](CC(C)(C)C)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000449138432 514087882 /nfs/dbraw/zinc/08/78/82/514087882.db2.gz HZFVAFGVOYNYMG-QGZVFWFLSA-N 1 0 363.458 2.989 20 5 FFBDRO [NH3+]C[C@H](NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1CCCCC1 ZINC000420356626 514109297 /nfs/dbraw/zinc/10/92/97/514109297.db2.gz GPZORLCSVFQXRC-AWEZNQCLSA-N 1 0 354.838 2.684 20 5 FFBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000437211415 514114871 /nfs/dbraw/zinc/11/48/71/514114871.db2.gz VDHPZJLHZURQJM-MRXNPFEDSA-N 1 0 371.441 2.552 20 5 FFBDRO CN(CC[NH+](C)C)C(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444096411 514122116 /nfs/dbraw/zinc/12/21/16/514122116.db2.gz JVJBMBMJQZJYLG-UHFFFAOYSA-N 1 0 359.376 2.593 20 5 FFBDRO Cc1c(NC(=O)[C@H](C)N2C[C@H]([NH3+])Cc3ccccc32)cccc1[N+](=O)[O-] ZINC000420396793 514130182 /nfs/dbraw/zinc/13/01/82/514130182.db2.gz DSVFOMSRYQORAV-DZGCQCFKSA-N 1 0 354.410 2.620 20 5 FFBDRO CCc1ccc([C@@H](NC[C@@H]2C[NH2+]CCCO2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000423493247 514150729 /nfs/dbraw/zinc/15/07/29/514150729.db2.gz PSNUURVFCCYLHZ-HKUYNNGSSA-N 1 0 359.426 2.808 20 5 FFBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCCCN1CCO ZINC000449394587 514193686 /nfs/dbraw/zinc/19/36/86/514193686.db2.gz NXYYHNYBBXEHBK-QXAKKESOSA-N 1 0 361.486 2.742 20 5 FFBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Nc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420601933 514197513 /nfs/dbraw/zinc/19/75/13/514197513.db2.gz AKIBCHRISHFJPG-BBRMVZONSA-N 1 0 354.410 2.626 20 5 FFBDRO CC1CC[NH+](C[C@@H](O)CNc2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000427388845 514200770 /nfs/dbraw/zinc/20/07/70/514200770.db2.gz CDDKOXXAXZVKGJ-ZDUSSCGKSA-N 1 0 359.373 2.701 20 5 FFBDRO CC(C)[N@@H+]1CC[C@H](N(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000452121272 514205561 /nfs/dbraw/zinc/20/55/61/514205561.db2.gz SGOZRZBKTKUHJG-ZDUSSCGKSA-N 1 0 354.838 2.601 20 5 FFBDRO CC[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000449427517 514206301 /nfs/dbraw/zinc/20/63/01/514206301.db2.gz SLWGINYTKIQFPD-DGCLKSJQSA-N 1 0 374.384 2.840 20 5 FFBDRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000427442104 514219601 /nfs/dbraw/zinc/21/96/01/514219601.db2.gz OFDZZZUTCLIPOT-UHFFFAOYSA-N 1 0 364.368 2.670 20 5 FFBDRO COc1ccc(CSCC(=O)N[C@H](C)C[N@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000427483347 514231208 /nfs/dbraw/zinc/23/12/08/514231208.db2.gz FBEHTYGOILUWCS-CYBMUJFWSA-N 1 0 369.487 2.682 20 5 FFBDRO CCN1C[C@@H]([NH2+]Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)CC1=O ZINC000449517143 514236349 /nfs/dbraw/zinc/23/63/49/514236349.db2.gz IZTHTRUAUUZTPZ-LBPRGKRZSA-N 1 0 359.382 2.574 20 5 FFBDRO CC1CC[NH+](CC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000427594926 514258738 /nfs/dbraw/zinc/25/87/38/514258738.db2.gz BFQKBOWBCNPQHO-UHFFFAOYSA-N 1 0 359.348 2.962 20 5 FFBDRO O=C(Nc1ncc(C2CC[NH2+]CC2)s1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000423943861 514301515 /nfs/dbraw/zinc/30/15/15/514301515.db2.gz GWHQDZMOOSNXKE-UHFFFAOYSA-N 1 0 372.410 2.647 20 5 FFBDRO COc1cc(C(=O)N[C@@H](CCC[NH3+])c2ccccc2)cc([N+](=O)[O-])c1OC ZINC000423960994 514309754 /nfs/dbraw/zinc/30/97/54/514309754.db2.gz DIXQQHXBYMKKQO-HNNXBMFYSA-N 1 0 373.409 2.822 20 5 FFBDRO COc1cc(CNCC2([NH3+])CCCCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000414845033 514320759 /nfs/dbraw/zinc/32/07/59/514320759.db2.gz QJWZEUFXPCHYCA-UHFFFAOYSA-N 1 0 373.400 2.999 20 5 FFBDRO [NH3+]CC[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(F)(F)F ZINC000449721500 514323182 /nfs/dbraw/zinc/32/31/82/514323182.db2.gz OPAUABVOLZLVDG-LLVKDONJSA-N 1 0 374.344 2.728 20 5 FFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000423992441 514326152 /nfs/dbraw/zinc/32/61/52/514326152.db2.gz GFAQAUAKIQUWOI-QGZVFWFLSA-N 1 0 359.813 2.964 20 5 FFBDRO COC(=O)[C@H]1C[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C[C@H]1c1ccccc1 ZINC000449752407 514336025 /nfs/dbraw/zinc/33/60/25/514336025.db2.gz FLCCBPCRBFGKJY-IRXDYDNUSA-N 1 0 370.405 2.992 20 5 FFBDRO Cn1ccnc1[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000449774701 514349056 /nfs/dbraw/zinc/34/90/56/514349056.db2.gz PFAULXSKNWJKOS-DOMZBBRYSA-N 1 0 350.806 2.992 20 5 FFBDRO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000424036742 514351870 /nfs/dbraw/zinc/35/18/70/514351870.db2.gz FLVZVEAIJZJBDA-GOSISDBHSA-N 1 0 361.442 2.600 20 5 FFBDRO C[C@H]1C[C@H](C)CN(c2ccc(C(=O)NC(C)(C)CC[NH3+])cc2[N+](=O)[O-])C1 ZINC000424064085 514364192 /nfs/dbraw/zinc/36/41/92/514364192.db2.gz VFLZNLJTQTUTSK-KBPBESRZSA-N 1 0 362.474 2.934 20 5 FFBDRO C[C@@H]1CCCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)[C@H]1C[NH3+] ZINC000414954204 514373834 /nfs/dbraw/zinc/37/38/34/514373834.db2.gz SJIARNNCLZDHRD-SKDRFNHKSA-N 1 0 358.345 2.787 20 5 FFBDRO CC[C@H]1C[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C[C@H](CC)O1 ZINC000420960569 514403850 /nfs/dbraw/zinc/40/38/50/514403850.db2.gz RNXBTMAZWMOXNH-GJZGRUSLSA-N 1 0 365.430 2.821 20 5 FFBDRO COc1cc(C(=O)N2CCC[N@@H+](C3CCCC3)CC2)c([N+](=O)[O-])cc1F ZINC000449913727 514420636 /nfs/dbraw/zinc/42/06/36/514420636.db2.gz OKYRLABAWGSELY-UHFFFAOYSA-N 1 0 365.405 2.833 20 5 FFBDRO C[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CC(OC(C)(C)C)C1 ZINC000420987651 514426239 /nfs/dbraw/zinc/42/62/39/514426239.db2.gz QIAVAIZMPFVLJE-ISXOHVOVSA-N 1 0 352.431 2.612 20 5 FFBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000445717364 514510174 /nfs/dbraw/zinc/51/01/74/514510174.db2.gz CSZVITBXTUAUNU-GOSISDBHSA-N 1 0 353.422 2.918 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)C[C@@H]1C[C@H](F)CN1Cc1ncccn1 ZINC000475086197 514553388 /nfs/dbraw/zinc/55/33/88/514553388.db2.gz PFUHMKZNYMSHCJ-WMZOPIPTSA-N 1 0 373.432 2.738 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000458155828 514588525 /nfs/dbraw/zinc/58/85/25/514588525.db2.gz AXNFWQYBHQWMEO-CHWSQXEVSA-N 1 0 369.849 2.864 20 5 FFBDRO CCCC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)C(=O)Nc1cc(C)on1 ZINC000479471184 514596102 /nfs/dbraw/zinc/59/61/02/514596102.db2.gz OJHDINBFIDBTMT-HNNXBMFYSA-N 1 0 360.414 2.909 20 5 FFBDRO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NC[C@@]1([NH+](C)C)CCSC1 ZINC000479492881 514605334 /nfs/dbraw/zinc/60/53/34/514605334.db2.gz WTYHUXNPFRMLAR-INIZCTEOSA-N 1 0 371.434 2.760 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@H+](C)C1CCCCC1 ZINC000502362852 514626461 /nfs/dbraw/zinc/62/64/61/514626461.db2.gz DAQQUHPHMJVWPV-UHFFFAOYSA-N 1 0 350.419 2.989 20 5 FFBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000461646112 514682750 /nfs/dbraw/zinc/68/27/50/514682750.db2.gz LDVKVEUHWALXTP-AWEZNQCLSA-N 1 0 359.430 2.631 20 5 FFBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)cc1OC ZINC000461660422 514687585 /nfs/dbraw/zinc/68/75/85/514687585.db2.gz SRFSOYFABYMNLB-LBPRGKRZSA-N 1 0 367.446 2.708 20 5 FFBDRO COC(=O)COc1ccc(C[N@H+](C)Cc2ccc(OC)cc2)cc1[N+](=O)[O-] ZINC000475550868 514712573 /nfs/dbraw/zinc/71/25/73/514712573.db2.gz SGDPBKCQTVXLJJ-UHFFFAOYSA-N 1 0 374.393 2.787 20 5 FFBDRO COc1cc(C(=O)N[C@H](C)C[NH+]2CCCCCC2)cc([N+](=O)[O-])c1OC ZINC000479800379 514729168 /nfs/dbraw/zinc/72/91/68/514729168.db2.gz CYUYXDOAISBFLT-CYBMUJFWSA-N 1 0 365.430 2.606 20 5 FFBDRO CC(C)c1ccc(C[NH2+]C[C@](C)(O)C(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000484757545 514783236 /nfs/dbraw/zinc/78/32/36/514783236.db2.gz SWIXAJHQJVVOMM-SFHVURJKSA-N 1 0 352.431 2.901 20 5 FFBDRO CC(C)c1ccc(C[NH2+]C[C@@](C)(O)C(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000484757544 514783846 /nfs/dbraw/zinc/78/38/46/514783846.db2.gz SWIXAJHQJVVOMM-GOSISDBHSA-N 1 0 352.431 2.901 20 5 FFBDRO Cc1cc(N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461946064 514800776 /nfs/dbraw/zinc/80/07/76/514800776.db2.gz LZVZZOHEKYBJTQ-VXGBXAGGSA-N 1 0 361.364 2.813 20 5 FFBDRO Cc1cc(N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)c(F)cc1[N+](=O)[O-] ZINC000461953423 514803366 /nfs/dbraw/zinc/80/33/66/514803366.db2.gz DOYXSYPSOCKWOQ-UHFFFAOYSA-N 1 0 364.465 2.896 20 5 FFBDRO CC(C)[C@@H]1CN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1C ZINC000489342750 514807787 /nfs/dbraw/zinc/80/77/87/514807787.db2.gz YJCFBZHKDRFSMR-INIZCTEOSA-N 1 0 351.422 2.810 20 5 FFBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CCC([NH2+]CCOc2ccccc2)CC1 ZINC000480016870 514810183 /nfs/dbraw/zinc/81/01/83/514810183.db2.gz OVJWYTMWIZQNFJ-UHFFFAOYSA-N 1 0 373.457 2.757 20 5 FFBDRO CCC[N@H+](Cc1c([N+](=O)[O-])ncn1C)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000502954785 514857881 /nfs/dbraw/zinc/85/78/81/514857881.db2.gz HYWUNDRSVXUBIF-AWEZNQCLSA-N 1 0 359.430 2.958 20 5 FFBDRO C[N@H+](CCNc1c2cc(Br)ccc2ncc1[N+](=O)[O-])C1CC1 ZINC000480401412 514945244 /nfs/dbraw/zinc/94/52/44/514945244.db2.gz GTEVHINRVGMMOG-UHFFFAOYSA-N 1 0 365.231 2.834 20 5 FFBDRO Nc1c(F)c(N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000480582525 515008615 /nfs/dbraw/zinc/00/86/15/515008615.db2.gz UHTOTSOABLXQPA-GASCZTMLSA-N 1 0 356.401 2.884 20 5 FFBDRO CCS[C@@H]1CCCC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000480866805 515117822 /nfs/dbraw/zinc/11/78/22/515117822.db2.gz RKUVMKCTISTZMH-NVXWUHKLSA-N 1 0 354.472 2.942 20 5 FFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000462599329 515146254 /nfs/dbraw/zinc/14/62/54/515146254.db2.gz AXEYGNODNVQNEC-OAHLLOKOSA-N 1 0 365.393 2.805 20 5 FFBDRO CNc1c(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000462776127 515238791 /nfs/dbraw/zinc/23/87/91/515238791.db2.gz DWOSZURTWAOTNI-QAPCUYQASA-N 1 0 354.410 2.812 20 5 FFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1c2c(nn1C)CCCC2 ZINC000462817192 515256674 /nfs/dbraw/zinc/25/66/74/515256674.db2.gz NAKDBBCQQUPEIU-ZDUSSCGKSA-N 1 0 371.441 2.714 20 5 FFBDRO Cc1c(NC(=O)[C@H](C)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)cccc1[N+](=O)[O-] ZINC000472460615 515276798 /nfs/dbraw/zinc/27/67/98/515276798.db2.gz DSOFNTWOFDWORE-RDJZCZTQSA-N 1 0 374.485 2.894 20 5 FFBDRO CCOC(=O)c1ccnc(N[C@H]2CC[N@H+](CC3CCCC3)C2)c1[N+](=O)[O-] ZINC000462950283 515312177 /nfs/dbraw/zinc/31/21/77/515312177.db2.gz ZXPKWRVULBRCIS-AWEZNQCLSA-N 1 0 362.430 2.843 20 5 FFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000490843987 515316386 /nfs/dbraw/zinc/31/63/86/515316386.db2.gz DHANQDBRAOHAGM-INIZCTEOSA-N 1 0 369.512 2.874 20 5 FFBDRO COc1ccc(C[NH2+][C@@H]2CC(=O)N(c3ccccc3F)C2)cc1[N+](=O)[O-] ZINC000463033725 515342185 /nfs/dbraw/zinc/34/21/85/515342185.db2.gz LPVZZRCRKGLXKS-CYBMUJFWSA-N 1 0 359.357 2.638 20 5 FFBDRO C[C@@H](CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)[NH+]1CCC(C)CC1 ZINC000486146119 515351378 /nfs/dbraw/zinc/35/13/78/515351378.db2.gz GMKRPUFEJBUCJN-LBPRGKRZSA-N 1 0 355.385 2.652 20 5 FFBDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000472760872 515386089 /nfs/dbraw/zinc/38/60/89/515386089.db2.gz AYECCWBPMPNFFX-MRXNPFEDSA-N 1 0 364.446 2.868 20 5 FFBDRO COc1cc(C[NH2+]CCc2nnc(C(C)C)s2)c([N+](=O)[O-])cc1O ZINC000492333145 515527606 /nfs/dbraw/zinc/52/76/06/515527606.db2.gz JFQXJEFFCHWANF-UHFFFAOYSA-N 1 0 352.416 2.616 20 5 FFBDRO CC[C@@H](C)[NH2+][C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000510440752 515541423 /nfs/dbraw/zinc/54/14/23/515541423.db2.gz DCVWLNCZMOBQAM-DOMZBBRYSA-N 1 0 367.427 2.596 20 5 FFBDRO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000482152916 515590076 /nfs/dbraw/zinc/59/00/76/515590076.db2.gz SSGPXTGZKCQYEG-IRXDYDNUSA-N 1 0 362.474 2.684 20 5 FFBDRO Cc1cnc(OCCC[NH+]2CCN(c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000505577161 515593318 /nfs/dbraw/zinc/59/33/18/515593318.db2.gz RBVOMEYYPPLRFC-UHFFFAOYSA-N 1 0 356.426 2.889 20 5 FFBDRO Cc1cc(N2CC[C@@H](N3CCCC3=O)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000477800485 515596043 /nfs/dbraw/zinc/59/60/43/515596043.db2.gz OWXPSANFJQCVCH-MRXNPFEDSA-N 1 0 367.409 2.561 20 5 FFBDRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000454644266 515635640 /nfs/dbraw/zinc/63/56/40/515635640.db2.gz OHVKKPSVJDNAMI-HOTGVXAUSA-N 1 0 358.442 2.721 20 5 FFBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000457089852 515641237 /nfs/dbraw/zinc/64/12/37/515641237.db2.gz LORTXBXYVJROKS-GFCCVEGCSA-N 1 0 357.357 2.751 20 5 FFBDRO COc1cc(C[NH2+]C[C@@H]2CCC[C@@H](O)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000493600449 515646422 /nfs/dbraw/zinc/64/64/22/515646422.db2.gz CPUPONBGYZVQRX-DGCLKSJQSA-N 1 0 374.384 2.888 20 5 FFBDRO C[NH+](C)[C@@H](CNC(=O)NCCc1ccccc1[N+](=O)[O-])c1cccs1 ZINC000463959887 515671778 /nfs/dbraw/zinc/67/17/78/515671778.db2.gz GMVMUTPTTPXXIU-HNNXBMFYSA-N 1 0 362.455 2.801 20 5 FFBDRO Cc1cc(C)c(S(=O)(=O)NCC[C@@H](C)[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000493887030 515677189 /nfs/dbraw/zinc/67/71/89/515677189.db2.gz AFAGRCOJFMHKBN-OAHLLOKOSA-N 1 0 369.487 2.754 20 5 FFBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2cc([N+](=O)[O-])nn2C)cc1 ZINC000478117436 515706016 /nfs/dbraw/zinc/70/60/16/515706016.db2.gz YOKGEMLRUHTRNA-CYBMUJFWSA-N 1 0 357.414 2.955 20 5 FFBDRO O=C(CC(F)(F)F)NC[C@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000510906292 515710713 /nfs/dbraw/zinc/71/07/13/515710713.db2.gz XZKAZLMQDAPRRG-CYBMUJFWSA-N 1 0 359.348 2.875 20 5 FFBDRO COc1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)ccc1[N+](=O)[O-] ZINC000494068634 515724494 /nfs/dbraw/zinc/72/44/94/515724494.db2.gz JAFNWAUNPSJCKU-WMLDXEAASA-N 1 0 369.421 2.996 20 5 FFBDRO C[C@@H]1[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1Cc1ccccc1 ZINC000494070186 515726807 /nfs/dbraw/zinc/72/68/07/515726807.db2.gz VOEDGIWECGYNNV-DNVCBOLYSA-N 1 0 353.422 2.917 20 5 FFBDRO O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000487026729 515727371 /nfs/dbraw/zinc/72/73/71/515727371.db2.gz KXBZBIWKQOTCRF-KRWDZBQOSA-N 1 0 353.422 2.889 20 5 FFBDRO C[C@@H]([NH2+]C1(CNC(=O)c2ccc([N+](=O)[O-])[nH]2)CCOCC1)c1ccccc1 ZINC000500481215 515733193 /nfs/dbraw/zinc/73/31/93/515733193.db2.gz UYDMBEHIKHAERM-CQSZACIVSA-N 1 0 372.425 2.553 20 5 FFBDRO CSC1(CNC(=O)CSc2ccccc2[N+](=O)[O-])CC[NH+](C)CC1 ZINC000500514690 515748920 /nfs/dbraw/zinc/74/89/20/515748920.db2.gz DQJMIFXEEHGFAH-UHFFFAOYSA-N 1 0 369.512 2.631 20 5 FFBDRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000482646200 515751219 /nfs/dbraw/zinc/75/12/19/515751219.db2.gz FSYJSAIJQVGMLE-HNNXBMFYSA-N 1 0 363.462 2.570 20 5 FFBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H](O)COc1cccc2[nH]ccc21 ZINC000511095868 515779077 /nfs/dbraw/zinc/77/90/77/515779077.db2.gz XVEVWADXYLVDEF-MRXNPFEDSA-N 1 0 369.421 2.990 20 5 FFBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccc(Br)c(F)c1 ZINC000494269407 515788856 /nfs/dbraw/zinc/78/88/56/515788856.db2.gz XYWCPGOVEAYKJD-UHFFFAOYSA-N 1 0 357.183 2.825 20 5 FFBDRO CN(c1ccccc1)c1ccc(C[NH2+]CC(=O)NCC2CC2)cc1[N+](=O)[O-] ZINC000478355904 515792826 /nfs/dbraw/zinc/79/28/26/515792826.db2.gz LRLIOYVROHGHAJ-UHFFFAOYSA-N 1 0 368.437 2.979 20 5 FFBDRO CO[C@@H]1C[C@H]([NH2+]CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C12CCC2 ZINC000459777479 515799004 /nfs/dbraw/zinc/79/90/04/515799004.db2.gz VZUBWBMPGKMGSM-UONOGXRCSA-N 1 0 353.806 2.734 20 5 FFBDRO CCN(CCC[NH+](CC)CC)S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000473942014 515812260 /nfs/dbraw/zinc/81/22/60/515812260.db2.gz CUHSWHOSSDAREK-UHFFFAOYSA-N 1 0 357.476 2.646 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000494600912 515893757 /nfs/dbraw/zinc/89/37/57/515893757.db2.gz WXCKUFIONFYNJV-UHFFFAOYSA-N 1 0 369.421 2.782 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC[C@@H](c3ccc(F)cc3)C2)c1 ZINC000483115959 515935699 /nfs/dbraw/zinc/93/56/99/515935699.db2.gz DMXIYHUAFHIBFI-CRAIPNDOSA-N 1 0 360.385 2.963 20 5 FFBDRO COc1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc([N+](=O)[O-])c1C ZINC000478733126 515946117 /nfs/dbraw/zinc/94/61/17/515946117.db2.gz AAAWWKLWHGXBQK-QGZVFWFLSA-N 1 0 369.421 2.916 20 5 FFBDRO CC(C)[C@H]1CN([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC[N@@H+]1C ZINC000487960525 516053509 /nfs/dbraw/zinc/05/35/09/516053509.db2.gz FJIHAGQBYKWISX-XJKSGUPXSA-N 1 0 359.430 2.978 20 5 FFBDRO CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000460284496 516101121 /nfs/dbraw/zinc/10/11/21/516101121.db2.gz QMMSQBNLMMLPPN-MRXNPFEDSA-N 1 0 356.430 2.546 20 5 FFBDRO C[C@H]1CN(c2c3ccccc3ncc2[N+](=O)[O-])CCN1C1CC[NH+](C)CC1 ZINC000488090917 516114839 /nfs/dbraw/zinc/11/48/39/516114839.db2.gz BNLBRDQXGVHLFU-HNNXBMFYSA-N 1 0 369.469 2.748 20 5 FFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC000470203754 516171617 /nfs/dbraw/zinc/17/16/17/516171617.db2.gz FBKSNTAYBSCNBY-WEKMIXOTSA-N 1 0 371.359 2.999 20 5 FFBDRO O=C(NCCc1ncc[nH]1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000488350134 516201758 /nfs/dbraw/zinc/20/17/58/516201758.db2.gz YWJAXGYMJOATRA-UHFFFAOYSA-N 1 0 365.393 2.903 20 5 FFBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000507618705 516264186 /nfs/dbraw/zinc/26/41/86/516264186.db2.gz SXERDXXWNYOCIL-NVXWUHKLSA-N 1 0 369.421 2.925 20 5 FFBDRO C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000497412341 516320811 /nfs/dbraw/zinc/32/08/11/516320811.db2.gz ZFBQZIMHDYGYCF-DOTOQJQBSA-N 1 0 364.405 2.904 20 5 FFBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000497481302 516323660 /nfs/dbraw/zinc/32/36/60/516323660.db2.gz HGUHMNYWDKXFDC-CQSZACIVSA-N 1 0 354.838 2.574 20 5 FFBDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000497535600 516325679 /nfs/dbraw/zinc/32/56/79/516325679.db2.gz WDFJCNZPKSNIPR-CQSZACIVSA-N 1 0 369.487 2.921 20 5 FFBDRO CN(c1ccccc1)c1ccc(C[NH2+]C[C@H](O)[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000522962505 516361271 /nfs/dbraw/zinc/36/12/71/516361271.db2.gz HIEZYVBSAVADLM-UZLBHIALSA-N 1 0 371.437 2.850 20 5 FFBDRO O=C(C[NH2+][C@H](CCO)c1ccc(Cl)cc1)Nc1ccccc1[N+](=O)[O-] ZINC000554293722 516368761 /nfs/dbraw/zinc/36/87/61/516368761.db2.gz JWISBZDTFWEOHU-CQSZACIVSA-N 1 0 363.801 2.900 20 5 FFBDRO CCCC[N@@H+]1CCCC[C@H]1CNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000561153975 516411287 /nfs/dbraw/zinc/41/12/87/516411287.db2.gz LUDRSZZYRSJCMM-AWEZNQCLSA-N 1 0 359.430 2.732 20 5 FFBDRO O=C(NCCC[NH+]1CCCCC1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000543799000 516433609 /nfs/dbraw/zinc/43/36/09/516433609.db2.gz UPVDKDGPRHJTSQ-UHFFFAOYSA-N 1 0 357.357 2.802 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](CO)c1cccc(F)c1 ZINC000543814951 516443377 /nfs/dbraw/zinc/44/33/77/516443377.db2.gz TVDIQDHPEIKJCZ-KRWDZBQOSA-N 1 0 361.373 2.694 20 5 FFBDRO COc1ccc(NC(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000543887971 516481627 /nfs/dbraw/zinc/48/16/27/516481627.db2.gz QGKMRVSPPHDOLG-STQMWFEESA-N 1 0 350.419 2.988 20 5 FFBDRO Cc1cc(C)cc(CC[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000518170704 516565440 /nfs/dbraw/zinc/56/54/40/516565440.db2.gz GRYCHRHKXRBIDC-UHFFFAOYSA-N 1 0 362.451 2.818 20 5 FFBDRO NC(=O)[C@H](Cc1ccc(F)cc1)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000544069794 516567636 /nfs/dbraw/zinc/56/76/36/516567636.db2.gz QLBDLDDGMVIURF-HNNXBMFYSA-N 1 0 365.792 2.616 20 5 FFBDRO COCC[C@@](C)(O)C[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000523840182 516590830 /nfs/dbraw/zinc/59/08/30/516590830.db2.gz XNHORFWVUFAMLG-GOSISDBHSA-N 1 0 364.398 2.741 20 5 FFBDRO CC(C)[N@H+](C)CCNC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000523909705 516606215 /nfs/dbraw/zinc/60/62/15/516606215.db2.gz HFIXVMSWHMGNQL-OAHLLOKOSA-N 1 0 362.474 2.901 20 5 FFBDRO CN(C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1C[NH+]2CCC1CC2 ZINC000523954177 516618817 /nfs/dbraw/zinc/61/88/17/516618817.db2.gz QKJFDDFVZLSHCU-HNNXBMFYSA-N 1 0 367.833 2.570 20 5 FFBDRO Cc1cc(NC(=O)NCc2ccncc2OCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000554756246 516623248 /nfs/dbraw/zinc/62/32/48/516623248.db2.gz PFLXJPHOZGWXOW-UHFFFAOYSA-N 1 0 373.413 2.560 20 5 FFBDRO Cc1cc(N2CCC(OCC[NH+](C)C)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000540649660 516653718 /nfs/dbraw/zinc/65/37/18/516653718.db2.gz YDZRLOVLSHWLCB-UHFFFAOYSA-N 1 0 358.442 2.998 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)c1 ZINC000540687077 516670105 /nfs/dbraw/zinc/67/01/05/516670105.db2.gz FIXBAPGCCAHOKN-KRWDZBQOSA-N 1 0 363.458 2.909 20 5 FFBDRO CC[C@H](CN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000513763051 516745314 /nfs/dbraw/zinc/74/53/14/516745314.db2.gz VEDNCOFEYVKDEK-AEFFLSMTSA-N 1 0 357.458 2.882 20 5 FFBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000555114706 516787469 /nfs/dbraw/zinc/78/74/69/516787469.db2.gz JAFXHYNJUUAAPV-AWEZNQCLSA-N 1 0 359.430 2.631 20 5 FFBDRO CCOC(=O)CC(C)(C)CC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000561866912 516805957 /nfs/dbraw/zinc/80/59/57/516805957.db2.gz KMZODQGQGFKZKG-CQSZACIVSA-N 1 0 364.446 2.846 20 5 FFBDRO C[C@H](c1ccccc1)[NH+]1CCC(Nc2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000558598247 516829022 /nfs/dbraw/zinc/82/90/22/516829022.db2.gz DNLNCUDPWSBNBD-CYBMUJFWSA-N 1 0 369.425 2.726 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000524879799 516856196 /nfs/dbraw/zinc/85/61/96/516856196.db2.gz UGVOEKONXGITFT-GOEBONIOSA-N 1 0 371.441 2.725 20 5 FFBDRO Cn1ccnc1[C@@H](NCC[NH+]1CCCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000514090722 516858872 /nfs/dbraw/zinc/85/88/72/516858872.db2.gz WIMWUNNBEHMZQT-SFHVURJKSA-N 1 0 357.458 2.883 20 5 FFBDRO C[C@H]([NH2+]Cc1ccc(C(=O)N2CCOCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000532209332 516859235 /nfs/dbraw/zinc/85/92/35/516859235.db2.gz UOZBDCWOJYNGRP-HNNXBMFYSA-N 1 0 369.421 2.918 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000525024168 516899313 /nfs/dbraw/zinc/89/93/13/516899313.db2.gz PEYWHOFOWPWRPG-DYEKYZERSA-N 1 0 369.849 2.814 20 5 FFBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000562254331 516988529 /nfs/dbraw/zinc/98/85/29/516988529.db2.gz OZTYXEAJYXSPGO-CQSZACIVSA-N 1 0 364.446 2.619 20 5 FFBDRO C[NH+]1CCC([C@H]2CCN(C(=O)CSc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000555609678 517011184 /nfs/dbraw/zinc/01/11/84/517011184.db2.gz XMKIWSNZTTXRRE-HNNXBMFYSA-N 1 0 363.483 2.877 20 5 FFBDRO CN(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000532583157 517046241 /nfs/dbraw/zinc/04/62/41/517046241.db2.gz VFWURGRWDVZEHR-KRWDZBQOSA-N 1 0 356.426 2.961 20 5 FFBDRO O=C1[C@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000519614211 517079484 /nfs/dbraw/zinc/07/94/84/517079484.db2.gz NOYWZTJZFXHSHI-QZTJIDSGSA-N 1 0 351.406 2.973 20 5 FFBDRO CC[NH+](CC)[C@H]1CCN(c2ncc([N+](=O)[O-])c(C)c2Br)C1 ZINC000541575881 517120003 /nfs/dbraw/zinc/12/00/03/517120003.db2.gz INSMDUFTJORQPE-NSHDSACASA-N 1 0 357.252 2.981 20 5 FFBDRO CN(C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000548692502 517148230 /nfs/dbraw/zinc/14/82/30/517148230.db2.gz PFQWEZQHMPMGQW-INIZCTEOSA-N 1 0 361.445 2.990 20 5 FFBDRO CC[N@@H+]1CCC[C@H](CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000541721610 517187619 /nfs/dbraw/zinc/18/76/19/517187619.db2.gz VGFMWKPXAYPFTO-LLVKDONJSA-N 1 0 370.247 2.819 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](c1cccnc1)C1CC1 ZINC000525834939 517191508 /nfs/dbraw/zinc/19/15/08/517191508.db2.gz JCHGRVPRXBUOQB-GOSISDBHSA-N 1 0 356.382 2.678 20 5 FFBDRO CC[S@](=O)[C@H]1CCC[C@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000515054183 517192562 /nfs/dbraw/zinc/19/25/62/517192562.db2.gz AESOPRGMCGELRB-DZWULXIXSA-N 1 0 367.471 2.593 20 5 FFBDRO COc1cccc(N2C[C@@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3C)CC2=O)c1 ZINC000541769135 517207522 /nfs/dbraw/zinc/20/75/22/517207522.db2.gz CNDPKLYZRLCHOQ-HNNXBMFYSA-N 1 0 355.394 2.807 20 5 FFBDRO CCC[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1CCOC ZINC000541785066 517215165 /nfs/dbraw/zinc/21/51/65/517215165.db2.gz FAKTVGCWEAIOKS-CQSZACIVSA-N 1 0 368.409 2.699 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000532988300 517238207 /nfs/dbraw/zinc/23/82/07/517238207.db2.gz ACCDSAPUAUPOAG-QWHCGFSZSA-N 1 0 368.865 2.991 20 5 FFBDRO C[NH+](C)CCN(Cc1ccccn1)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000541833146 517240241 /nfs/dbraw/zinc/24/02/41/517240241.db2.gz WSPBUICETOCJBW-UHFFFAOYSA-N 1 0 361.377 2.725 20 5 FFBDRO CC[NH+](CC)CCCC1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000542093244 517377289 /nfs/dbraw/zinc/37/72/89/517377289.db2.gz TXFPCAKAXMSSSV-UHFFFAOYSA-N 1 0 365.478 2.542 20 5 FFBDRO CCC[NH+]1CCC(CNC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000549178727 517440520 /nfs/dbraw/zinc/44/05/20/517440520.db2.gz YCNVIYZRGMMYNM-UHFFFAOYSA-N 1 0 362.474 2.901 20 5 FFBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000556521444 517475787 /nfs/dbraw/zinc/47/57/87/517475787.db2.gz WVKAUKSAYNDZNK-ZBFHGGJFSA-N 1 0 361.398 2.536 20 5 FFBDRO CC(=O)[C@@H](Cc1ccccc1)NC(=O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000538174688 517493934 /nfs/dbraw/zinc/49/39/34/517493934.db2.gz KVDBZTVETYXGLE-IFXJQAMLSA-N 1 0 369.421 2.562 20 5 FFBDRO C[N@@H+]1CCC[C@H](CNC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000556565020 517495033 /nfs/dbraw/zinc/49/50/33/517495033.db2.gz XSSYAYKWDJHIJV-NVXWUHKLSA-N 1 0 360.458 2.826 20 5 FFBDRO COC(=O)CC1([NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)CCCCC1 ZINC000533526412 517506468 /nfs/dbraw/zinc/50/64/68/517506468.db2.gz CVQPTCAITKRXEY-UHFFFAOYSA-N 1 0 364.398 2.817 20 5 FFBDRO COC1CC[NH+](C(C)(C)CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC000520769904 517508442 /nfs/dbraw/zinc/50/84/42/517508442.db2.gz LXRBDSQCIAYLLA-UHFFFAOYSA-N 1 0 374.441 2.695 20 5 FFBDRO Cn1cc([C@@H]([NH2+]CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C(C)(C)C)cn1 ZINC000538279585 517538652 /nfs/dbraw/zinc/53/86/52/517538652.db2.gz OALCIYSMYHCVDE-GOSISDBHSA-N 1 0 371.441 2.594 20 5 FFBDRO CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccccc2C[NH2+]C)cc1OC ZINC000562973395 517545197 /nfs/dbraw/zinc/54/51/97/517545197.db2.gz FFUHYJIPYPDGLO-UHFFFAOYSA-N 1 0 359.382 2.974 20 5 FFBDRO C[C@H](C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)Oc1ccc(F)cc1 ZINC000562993212 517566913 /nfs/dbraw/zinc/56/69/13/517566913.db2.gz AWAVUMZLMBWFEA-CJNGLKHVSA-N 1 0 364.373 2.531 20 5 FFBDRO C[N@H+]1CC=C(CNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000538344718 517577620 /nfs/dbraw/zinc/57/76/20/517577620.db2.gz VFWWYCBXERXOIC-UHFFFAOYSA-N 1 0 358.423 2.710 20 5 FFBDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000533801229 517615917 /nfs/dbraw/zinc/61/59/17/517615917.db2.gz HJDRHDJEXRTGBD-HUUCEWRRSA-N 1 0 360.458 2.925 20 5 FFBDRO C[N@@H+]1CCC[C@@H](CNC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000556740397 517620692 /nfs/dbraw/zinc/62/06/92/517620692.db2.gz WXHKFOYOMDOGLK-JTQLQIEISA-N 1 0 371.235 2.821 20 5 FFBDRO COc1cncc(/C=C\CC[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1 ZINC000563059416 517622205 /nfs/dbraw/zinc/62/22/05/517622205.db2.gz UHKOXWONTKULTE-RQOWECAXSA-N 1 0 369.425 2.619 20 5 FFBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)CCC[NH+](C)C ZINC000521235074 517663269 /nfs/dbraw/zinc/66/32/69/517663269.db2.gz JFCJIMGGHJBUPH-UHFFFAOYSA-N 1 0 358.236 2.689 20 5 FFBDRO CC(C)[N@H+](C)CC1CCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000560336515 517711003 /nfs/dbraw/zinc/71/10/03/517711003.db2.gz NZKGOHLRWPNWCD-OAHLLOKOSA-N 1 0 362.474 2.974 20 5 FFBDRO C[C@@H]1C[C@H](N(C)C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1C ZINC000546540139 517715895 /nfs/dbraw/zinc/71/58/95/517715895.db2.gz SRKHJYDXAPSIHT-CHWSQXEVSA-N 1 0 351.422 2.953 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCCCCC[NH+]1CCCC1 ZINC000549914674 517776771 /nfs/dbraw/zinc/77/67/71/517776771.db2.gz KCFJUPOQSULBAK-UHFFFAOYSA-N 1 0 369.487 2.756 20 5 FFBDRO Cn1cc(C[N@@H+]2CCC[C@@H]3COCC[C@@H]32)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000538791497 517781480 /nfs/dbraw/zinc/78/14/80/517781480.db2.gz ADRPXEZOQUWHEJ-QAPCUYQASA-N 1 0 356.426 2.996 20 5 FFBDRO CCC[NH+]1CCC(NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CC1 ZINC000542866868 517789323 /nfs/dbraw/zinc/78/93/23/517789323.db2.gz OCUBWRBQTDLUOT-UHFFFAOYSA-N 1 0 357.357 2.800 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000530491157 517807666 /nfs/dbraw/zinc/80/76/66/517807666.db2.gz SEZBEXGLPVYEOW-INIZCTEOSA-N 1 0 369.487 2.692 20 5 FFBDRO O=C(CCc1cccc([N+](=O)[O-])c1)Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1 ZINC000557025568 517810770 /nfs/dbraw/zinc/81/07/70/517810770.db2.gz QEFXOKMEBYVMOB-LJQANCHMSA-N 1 0 369.421 2.733 20 5 FFBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000553693535 517856529 /nfs/dbraw/zinc/85/65/29/517856529.db2.gz CEGAMLZBOFTSCM-KRWDZBQOSA-N 1 0 374.485 2.802 20 5 FFBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000546801183 517865697 /nfs/dbraw/zinc/86/56/97/517865697.db2.gz BYUXXTADPYHLQU-KFWWJZLASA-N 1 0 367.471 2.621 20 5 FFBDRO C[C@H](CN[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F)C[NH+]1CCN(C)CC1 ZINC000516871615 517885206 /nfs/dbraw/zinc/88/52/06/517885206.db2.gz CUACZVABVNMZMT-CJNGLKHVSA-N 1 0 374.407 2.671 20 5 FFBDRO Cc1ccc([C@H](CC(=O)OC(C)C)[NH2+]CCn2ccc([N+](=O)[O-])n2)cc1 ZINC000543061477 517887859 /nfs/dbraw/zinc/88/78/59/517887859.db2.gz XCDSKYRGZPKYSL-INIZCTEOSA-N 1 0 360.414 2.772 20 5 FFBDRO CCNC(=O)N1CC[C@@H]([NH2+][C@@H](CC)CSc2ccccc2[N+](=O)[O-])C1 ZINC000539061344 517898699 /nfs/dbraw/zinc/89/86/99/517898699.db2.gz UJYYCEHRBRSTFX-UONOGXRCSA-N 1 0 366.487 2.859 20 5 FFBDRO C[C@H](CCC1CCCC1)[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000539074221 517903641 /nfs/dbraw/zinc/90/36/41/517903641.db2.gz XHPDDVDBSKPRPV-CQSZACIVSA-N 1 0 369.487 2.822 20 5 FFBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000534516829 517923046 /nfs/dbraw/zinc/92/30/46/517923046.db2.gz VITWQEXIQBCVHF-CABCVRRESA-N 1 0 360.458 2.783 20 5 FFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](CC(N)=O)c1ccccc1 ZINC000560608030 517927340 /nfs/dbraw/zinc/92/73/40/517927340.db2.gz CVTZYQFXHCEILM-CXAGYDPISA-N 1 0 370.409 2.518 20 5 FFBDRO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000530712739 517935897 /nfs/dbraw/zinc/93/58/97/517935897.db2.gz LZURAQBBVDCBSL-CABCVRRESA-N 1 0 369.487 2.774 20 5 FFBDRO O=C(NC[C@@H]1[NH2+]CCc2ccccc21)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000563601356 518015286 /nfs/dbraw/zinc/01/52/86/518015286.db2.gz ZFAZNHINHLLMEA-SFHVURJKSA-N 1 0 366.421 2.550 20 5 FFBDRO CC(C)(C(=O)Nc1ccn(-c2cc[nH+]cc2)n1)c1ccc([N+](=O)[O-])cc1F ZINC000547241253 518033191 /nfs/dbraw/zinc/03/31/91/518033191.db2.gz HUUZZIVMDMMCTC-UHFFFAOYSA-N 1 0 369.356 2.653 20 5 FFBDRO C[C@H]1CCCN(c2ccc(C(=O)N(C)CCC[NH+](C)C)cc2[N+](=O)[O-])C1 ZINC000539417688 518037290 /nfs/dbraw/zinc/03/72/90/518037290.db2.gz SEECDOMCJQITAV-HNNXBMFYSA-N 1 0 362.474 2.855 20 5 FFBDRO CN1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cn2)[C@H]1c1ccc(Cl)cc1 ZINC000534858657 518059626 /nfs/dbraw/zinc/05/96/26/518059626.db2.gz ISGMLUYABZYGNS-GDBMZVCRSA-N 1 0 360.801 2.818 20 5 FFBDRO CC1CCC([NH+]2CCN(C(=O)CNc3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000522354765 518085730 /nfs/dbraw/zinc/08/57/30/518085730.db2.gz HHEJEXICBMQFNV-UHFFFAOYSA-N 1 0 360.458 2.730 20 5 FFBDRO COC1CC[NH+](C(C)(C)CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC000534983333 518107507 /nfs/dbraw/zinc/10/75/07/518107507.db2.gz TXHRONKCNFUEPP-UHFFFAOYSA-N 1 0 374.441 2.695 20 5 FFBDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000531074018 518126622 /nfs/dbraw/zinc/12/66/22/518126622.db2.gz ZLSJQTLFYOVUKR-HNNXBMFYSA-N 1 0 374.441 2.649 20 5 FFBDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000531074019 518126850 /nfs/dbraw/zinc/12/68/50/518126850.db2.gz ZLSJQTLFYOVUKR-OAHLLOKOSA-N 1 0 374.441 2.649 20 5 FFBDRO COc1ccc(-c2ccc(C[NH2+][C@@H]3CCCN(C)C3=O)o2)c([N+](=O)[O-])c1 ZINC000531121875 518144858 /nfs/dbraw/zinc/14/48/58/518144858.db2.gz VQAQZSSZRAJLJQ-OAHLLOKOSA-N 1 0 359.382 2.574 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCCC[C@H]2C2CC2)cc1 ZINC000543598025 518149171 /nfs/dbraw/zinc/14/91/71/518149171.db2.gz OYVAZHDCVGCEIH-DLBZAZTESA-N 1 0 352.456 2.927 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H]2CCCC[C@@H]2C2CC2)cc1 ZINC000543598028 518149708 /nfs/dbraw/zinc/14/97/08/518149708.db2.gz OYVAZHDCVGCEIH-SJORKVTESA-N 1 0 352.456 2.927 20 5 FFBDRO CC[NH+](CC)CCOc1ccc(NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)cc1 ZINC000522832495 518168046 /nfs/dbraw/zinc/16/80/46/518168046.db2.gz ORCDZHFHMMUZNA-UHFFFAOYSA-N 1 0 374.397 2.668 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2CC[C@H](c3cccc(Cl)c3)C2)c1 ZINC000563952752 518244081 /nfs/dbraw/zinc/24/40/81/518244081.db2.gz RZVLLMYAXSQCIX-JLJPHGGASA-N 1 0 364.833 2.732 20 5 FFBDRO CC(C)n1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC[NH+](C(C)C)CC1 ZINC000575757694 518267105 /nfs/dbraw/zinc/26/71/05/518267105.db2.gz FAYHARCKJDVJOY-UHFFFAOYSA-N 1 0 358.446 2.965 20 5 FFBDRO C[C@@H]1C[C@@H](N(C)C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)CC[N@@H+]1C ZINC000578569178 518269201 /nfs/dbraw/zinc/26/92/01/518269201.db2.gz MJMZNQQUDIBHSM-HIFRSBDPSA-N 1 0 373.457 2.743 20 5 FFBDRO C[C@H](C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000569778252 518284070 /nfs/dbraw/zinc/28/40/70/518284070.db2.gz DFGBIJKRRKBRHC-MAUKXSAKSA-N 1 0 355.438 2.987 20 5 FFBDRO COc1ccc(OCC[N@@H+]2CCC[C@H]2[C@H]2CCCOC2)c([N+](=O)[O-])c1 ZINC000584409118 518327132 /nfs/dbraw/zinc/32/71/32/518327132.db2.gz LYJSKNOPMKYMCL-HOCLYGCPSA-N 1 0 350.415 2.873 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CCC(CC[NH3+])CC2)cc1SC ZINC000567057689 518331615 /nfs/dbraw/zinc/33/16/15/518331615.db2.gz YJDGGDSCFPLUBI-UHFFFAOYSA-N 1 0 353.444 2.526 20 5 FFBDRO Cc1cc(NC(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000581615531 518372493 /nfs/dbraw/zinc/37/24/93/518372493.db2.gz KFXWJMDJUZGKKS-INIZCTEOSA-N 1 0 362.430 2.622 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H]1CCOc2ccc(F)cc21 ZINC000578859608 518407940 /nfs/dbraw/zinc/40/79/40/518407940.db2.gz QZWQKYLXBHJBQB-HIFRSBDPSA-N 1 0 362.357 2.587 20 5 FFBDRO CNC(=O)[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1)Cc1ccc(F)cc1C ZINC000570161067 518471068 /nfs/dbraw/zinc/47/10/68/518471068.db2.gz QDTFRXCNEMWVBL-INIZCTEOSA-N 1 0 359.401 2.737 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(N(C)CCN2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000567377402 518494379 /nfs/dbraw/zinc/49/43/79/518494379.db2.gz LCDZUPYEQBPYGZ-UHFFFAOYSA-N 1 0 369.469 2.552 20 5 FFBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H]2CCc3cccc(Br)c3C2)c1 ZINC000576245021 518501197 /nfs/dbraw/zinc/50/11/97/518501197.db2.gz KHTVWMGWGYWWIZ-GFCCVEGCSA-N 1 0 365.231 2.701 20 5 FFBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000570253857 518516370 /nfs/dbraw/zinc/51/63/70/518516370.db2.gz VIMILLWGYXXHNY-AWEZNQCLSA-N 1 0 359.430 2.631 20 5 FFBDRO CCCc1n[nH]c(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000579113621 518528510 /nfs/dbraw/zinc/52/85/10/518528510.db2.gz UACVBLCPCXKJOH-HNNXBMFYSA-N 1 0 371.441 2.617 20 5 FFBDRO CC[NH+]1CCC(CNC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000576366689 518558165 /nfs/dbraw/zinc/55/81/65/518558165.db2.gz FLAFYTZRQVLAOY-UHFFFAOYSA-N 1 0 367.471 2.787 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]Cc2ccccc2OC(F)F)c1 ZINC000579209607 518575305 /nfs/dbraw/zinc/57/53/05/518575305.db2.gz SKFSIHCPLYEPLN-CQSZACIVSA-N 1 0 368.336 2.726 20 5 FFBDRO CCC[C@@H]([NH2+]C[C@@H]1CCCCN1S(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000579264492 518599286 /nfs/dbraw/zinc/59/92/86/518599286.db2.gz STGHUENZEXIEOM-DLBZAZTESA-N 1 0 369.487 2.840 20 5 FFBDRO CC[C@@H]1C[N@H+](C)CCN1Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000582177521 518623630 /nfs/dbraw/zinc/62/36/30/518623630.db2.gz FUMFJBGCFZRNNI-CYBMUJFWSA-N 1 0 373.400 2.773 20 5 FFBDRO CCOc1ccc(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1F ZINC000573437782 518663643 /nfs/dbraw/zinc/66/36/43/518663643.db2.gz KMYJYNNIRQYTCL-CQSZACIVSA-N 1 0 364.373 2.662 20 5 FFBDRO COc1ccc(Cl)cc1C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000570557302 518665038 /nfs/dbraw/zinc/66/50/38/518665038.db2.gz MGIUMJSJNCWBBF-AWEZNQCLSA-N 1 0 366.801 2.786 20 5 FFBDRO C[C@H]1CCCC[C@@H]1OCC[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000570599385 518685476 /nfs/dbraw/zinc/68/54/76/518685476.db2.gz RNRSQBXNTBDNRS-YOEHRIQHSA-N 1 0 370.471 2.553 20 5 FFBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]C[C@@H](O)COc3ccc(F)cc3)c2c1 ZINC000570627048 518699798 /nfs/dbraw/zinc/69/97/98/518699798.db2.gz YIGSNRMCWSGTAS-MRXNPFEDSA-N 1 0 373.384 2.787 20 5 FFBDRO COc1cccc([N+](=O)[O-])c1NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000570653541 518714288 /nfs/dbraw/zinc/71/42/88/518714288.db2.gz ZALFDOCXMKLFSU-HOTGVXAUSA-N 1 0 357.410 2.651 20 5 FFBDRO CSc1ccc(OC[C@H](O)C[NH2+]CCc2ccccc2[N+](=O)[O-])cc1 ZINC000573557130 518726313 /nfs/dbraw/zinc/72/63/13/518726313.db2.gz SBFJVJYDNAKEOU-OAHLLOKOSA-N 1 0 362.451 2.889 20 5 FFBDRO CCCc1n[nH]c(C(=O)NC[C@@H]([NH2+][C@H](C)CC)c2ccco2)c1[N+](=O)[O-] ZINC000588766971 518825159 /nfs/dbraw/zinc/82/51/59/518825159.db2.gz RFPAZYPMKWCXKR-DGCLKSJQSA-N 1 0 363.418 2.723 20 5 FFBDRO COc1ccc(CNC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000565183718 518830885 /nfs/dbraw/zinc/83/08/85/518830885.db2.gz XIGKNLNQYLFXIW-KRWDZBQOSA-N 1 0 369.421 2.742 20 5 FFBDRO COc1ccccc1O[C@@H](C)C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000571158624 518955768 /nfs/dbraw/zinc/95/57/68/518955768.db2.gz PMHDIZDRJKITLN-AWEZNQCLSA-N 1 0 373.409 2.989 20 5 FFBDRO C[NH+](C)[C@@H](CNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)C1CCCCC1 ZINC000568354686 518994894 /nfs/dbraw/zinc/99/48/94/518994894.db2.gz LMANTAQICWOWSL-INIZCTEOSA-N 1 0 359.430 2.588 20 5 FFBDRO CC(C)(C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])Oc1ccccc1 ZINC000582959774 519008392 /nfs/dbraw/zinc/00/83/92/519008392.db2.gz NBPAKUHBUSUYNM-OAHLLOKOSA-N 1 0 360.410 2.782 20 5 FFBDRO CC[NH+](CC)[C@H](c1nc(-c2c([N+](=O)[O-])ncn2C)no1)c1ccccc1 ZINC000580126487 519017478 /nfs/dbraw/zinc/01/74/78/519017478.db2.gz GVIRMBUQIMSUEZ-ZDUSSCGKSA-N 1 0 356.386 2.810 20 5 FFBDRO COc1ccc(OCCN2CCc3ccccc3[C@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000568395005 519018488 /nfs/dbraw/zinc/01/84/88/519018488.db2.gz KEZQGJKXTVRLEK-GOSISDBHSA-N 1 0 357.410 2.540 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H](c2ccccc2)[C@H]2CCCO2)c1 ZINC000580184547 519049600 /nfs/dbraw/zinc/04/96/00/519049600.db2.gz GXHKQOZHNVCVJL-RLLQIKCJSA-N 1 0 372.421 2.844 20 5 FFBDRO C[C@H]1CCCN(Cc2csc(NC(=O)c3cc([N+](=O)[O-])cn3C)n2)C1 ZINC000589647595 519055402 /nfs/dbraw/zinc/05/54/02/519055402.db2.gz GEVDTBHICLFPOM-NSHDSACASA-N 1 0 363.443 2.874 20 5 FFBDRO NC(=O)c1cccc(NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000574304254 519089860 /nfs/dbraw/zinc/08/98/60/519089860.db2.gz XHUZDTRFTCEYDG-HNNXBMFYSA-N 1 0 354.410 2.628 20 5 FFBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000565778048 519127370 /nfs/dbraw/zinc/12/73/70/519127370.db2.gz NRWMANNDXLCVAH-WMLDXEAASA-N 1 0 368.437 2.817 20 5 FFBDRO COc1ccc(-c2ccc(CN3CC[C@H]4C[N@H+](C)C[C@H]43)o2)c([N+](=O)[O-])c1 ZINC000590052743 519137425 /nfs/dbraw/zinc/13/74/25/519137425.db2.gz KENXLDSQUBEHBK-SCLBCKFNSA-N 1 0 357.410 2.999 20 5 FFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000574414796 519145647 /nfs/dbraw/zinc/14/56/47/519145647.db2.gz OVLQTSHSJXCXSJ-YSIASYRMSA-N 1 0 359.470 2.940 20 5 FFBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c1 ZINC000590158584 519164448 /nfs/dbraw/zinc/16/44/48/519164448.db2.gz SUXHAQBKHKSYMI-CVEARBPZSA-N 1 0 373.375 2.645 20 5 FFBDRO COc1cc(C[NH2+]C[C@H]2CSc3ccccc3O2)c([N+](=O)[O-])cc1O ZINC000568749580 519195468 /nfs/dbraw/zinc/19/54/68/519195468.db2.gz QUGQGCLUJRZNOR-LBPRGKRZSA-N 1 0 362.407 2.952 20 5 FFBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000590404363 519217482 /nfs/dbraw/zinc/21/74/82/519217482.db2.gz ZUOWZRRCVCXDML-ABAIWWIYSA-N 1 0 360.439 2.883 20 5 FFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000574630797 519251224 /nfs/dbraw/zinc/25/12/24/519251224.db2.gz XRQFYLXLLCVFJC-QFBILLFUSA-N 1 0 371.412 2.786 20 5 FFBDRO C[C@H](CCc1ccc(O)cc1)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000577859871 519295144 /nfs/dbraw/zinc/29/51/44/519295144.db2.gz KRSSNYYRDFCTDU-RDTXWAMCSA-N 1 0 360.410 2.651 20 5 FFBDRO COc1cccc2c1CC[C@H]2[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000566115814 519311341 /nfs/dbraw/zinc/31/13/41/519311341.db2.gz SITWLDYSXKJYKD-CZUORRHYSA-N 1 0 358.394 2.620 20 5 FFBDRO Cc1cccc2c(CC[NH2+]C[C@@H](O)COc3ccccc3[N+](=O)[O-])c[nH]c21 ZINC000574749998 519312621 /nfs/dbraw/zinc/31/26/21/519312621.db2.gz GEUWFMQYGZWLQH-MRXNPFEDSA-N 1 0 369.421 2.957 20 5 FFBDRO COc1cccc(C2(C[NH2+]C[C@H](O)COc3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000566129023 519318935 /nfs/dbraw/zinc/31/89/35/519318935.db2.gz SPJKMLNTKIWJGV-KRWDZBQOSA-N 1 0 372.421 2.665 20 5 FFBDRO CCO[C@H]1C[C@H]([NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C12CCCC2 ZINC000590739521 519341400 /nfs/dbraw/zinc/34/14/00/519341400.db2.gz WAVYGNDBHZAWAH-ROUUACIJSA-N 1 0 373.453 2.811 20 5 FFBDRO CC[NH+]1CCN([C@H](C)CN[C@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)CC1 ZINC000574815850 519346674 /nfs/dbraw/zinc/34/66/74/519346674.db2.gz JCSXSFSDMNGZAV-CZUORRHYSA-N 1 0 374.407 2.814 20 5 FFBDRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000583653866 519360227 /nfs/dbraw/zinc/36/02/27/519360227.db2.gz NZXKMVRGDLHWLE-CJNGLKHVSA-N 1 0 361.398 2.812 20 5 FFBDRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000566240054 519386996 /nfs/dbraw/zinc/38/69/96/519386996.db2.gz GOAMIPPPRNIHII-GOEBONIOSA-N 1 0 360.458 2.540 20 5 FFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](Cc2ccccc2)C[C@H](C)C1 ZINC000580876852 519401757 /nfs/dbraw/zinc/40/17/57/519401757.db2.gz MEPHNDSXQKNFCO-HNNXBMFYSA-N 1 0 368.437 2.892 20 5 FFBDRO CCc1ccc(S(=O)(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000580891097 519411951 /nfs/dbraw/zinc/41/19/51/519411951.db2.gz RVRHIITUFWVOPS-HNNXBMFYSA-N 1 0 369.487 2.652 20 5 FFBDRO Cc1cc2cc(C[NH2+]C[C@@H](O)COc3ccccc3[N+](=O)[O-])ccc2[nH]1 ZINC000575054239 519475112 /nfs/dbraw/zinc/47/51/12/519475112.db2.gz WIENXMNIRQRLQE-MRXNPFEDSA-N 1 0 355.394 2.914 20 5 FFBDRO Cn1nc(CC[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])c2ccccc21 ZINC000569333583 519498853 /nfs/dbraw/zinc/49/88/53/519498853.db2.gz HUCRWHPOKGOSSG-UHFFFAOYSA-N 1 0 367.409 2.642 20 5 FFBDRO CCS[C@@H]1CCC[C@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000575116898 519509535 /nfs/dbraw/zinc/50/95/35/519509535.db2.gz RRUHBEXFMPYNSL-JLJPHGGASA-N 1 0 354.472 2.988 20 5 FFBDRO O=C(CC[NH2+]C[C@@H](O)CCc1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000581072405 519509792 /nfs/dbraw/zinc/50/97/92/519509792.db2.gz ORDKNXYDHDIJQG-INIZCTEOSA-N 1 0 357.410 2.507 20 5 FFBDRO CCS[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000575116897 519509873 /nfs/dbraw/zinc/50/98/73/519509873.db2.gz RRUHBEXFMPYNSL-FRFSOERESA-N 1 0 354.472 2.988 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])c(-c2nc(CC3=[NH+][C@@H]4CCCC[C@@H]4N3)no2)c1 ZINC000569389965 519525151 /nfs/dbraw/zinc/52/51/51/519525151.db2.gz LOGRGKCMQYJLDW-OKILXGFUSA-N 1 0 371.397 2.899 20 5 FFBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000566614949 519578829 /nfs/dbraw/zinc/57/88/29/519578829.db2.gz AQMKABJNJHMFHH-SKDRFNHKSA-N 1 0 356.220 2.699 20 5 FFBDRO O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000591297621 519580134 /nfs/dbraw/zinc/58/01/34/519580134.db2.gz KMSCETHDJRUEDZ-CABZTGNLSA-N 1 0 358.320 2.829 20 5 FFBDRO CC(C)(NC(=O)Nc1cnc2c(c1)C[NH2+]CC2)c1ccc([N+](=O)[O-])cc1 ZINC000591310782 519586511 /nfs/dbraw/zinc/58/65/11/519586511.db2.gz KBKVEJFRGJBORQ-UHFFFAOYSA-N 1 0 355.398 2.692 20 5 FFBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000591347036 519603341 /nfs/dbraw/zinc/60/33/41/519603341.db2.gz CLVMDFIPQXBUII-IAGOWNOFSA-N 1 0 360.458 2.559 20 5 FFBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000591353338 519605106 /nfs/dbraw/zinc/60/51/06/519605106.db2.gz WLMCFKKFJMXYNA-IRXDYDNUSA-N 1 0 360.458 2.559 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H](CCC(=O)OC(C)(C)C)C1 ZINC000602847556 519924840 /nfs/dbraw/zinc/92/48/40/519924840.db2.gz WBKOAXBHGOCMNO-OAHLLOKOSA-N 1 0 366.462 2.934 20 5 FFBDRO COc1cc(C[NH2+][C@@H]([C@@H]2CCCO2)C2(CO)CCC2)c([N+](=O)[O-])cc1F ZINC000602889841 519952862 /nfs/dbraw/zinc/95/28/62/519952862.db2.gz DYSFHDMNPULEAS-RDJZCZTQSA-N 1 0 368.405 2.542 20 5 FFBDRO C[NH+](C)C1CN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])C1 ZINC000612448865 519966180 /nfs/dbraw/zinc/96/61/80/519966180.db2.gz VWWYMLZNCSQSGX-UHFFFAOYSA-N 1 0 351.204 2.656 20 5 FFBDRO C[C@H]1CC2(CN1C(=O)c1ccc(N3CCCC3)c([N+](=O)[O-])c1)CC[NH2+]CC2 ZINC000591651638 519986411 /nfs/dbraw/zinc/98/64/11/519986411.db2.gz DADSWXGNAMSSFE-HNNXBMFYSA-N 1 0 372.469 2.799 20 5 FFBDRO COc1cncc(/C=C/CC[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)c1 ZINC000602963320 519993976 /nfs/dbraw/zinc/99/39/76/519993976.db2.gz VICQMDZRDWPCEA-MTGFJVSHSA-N 1 0 357.410 2.899 20 5 FFBDRO CCC1([NH+](C)C)CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000602966793 519996528 /nfs/dbraw/zinc/99/65/28/519996528.db2.gz RGGCCPLMYLFHDJ-UHFFFAOYSA-N 1 0 359.430 2.951 20 5 FFBDRO CCOc1cc(C(=O)Nc2ccccc2C[NH2+]C)c([N+](=O)[O-])cc1OC ZINC000591681488 519997197 /nfs/dbraw/zinc/99/71/97/519997197.db2.gz PVPSEFQTWBDBIZ-UHFFFAOYSA-N 1 0 359.382 2.974 20 5 FFBDRO CC[C@H]([NH2+]Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)[C@@H]1CCCCO1 ZINC000594519456 520012518 /nfs/dbraw/zinc/01/25/18/520012518.db2.gz KUSSKLBYOYQRLP-HOCLYGCPSA-N 1 0 366.414 2.584 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](O)[C@@H]2CCCC[C@H]21 ZINC000602997443 520013499 /nfs/dbraw/zinc/01/34/99/520013499.db2.gz JXRUGUZBSPVZQT-NXHRZFHOSA-N 1 0 361.442 2.857 20 5 FFBDRO CC(C)[NH+]1CCC(Nc2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)CC1 ZINC000594543661 520017818 /nfs/dbraw/zinc/01/78/18/520017818.db2.gz AEOKXAAFZZWFFN-UHFFFAOYSA-N 1 0 366.437 2.855 20 5 FFBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(F)c1N1CCOCC1 ZINC000594546560 520019301 /nfs/dbraw/zinc/01/93/01/520019301.db2.gz QXCBIEZVVQGJOM-UONOGXRCSA-N 1 0 364.421 2.609 20 5 FFBDRO C[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H](c1ccccc1)N(C)C ZINC000591761296 520026474 /nfs/dbraw/zinc/02/64/74/520026474.db2.gz HKZCLWLZRVQZQO-CVAIRZPRSA-N 1 0 373.453 2.616 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C1CC(OCc2ccccc2)C1 ZINC000591760902 520026750 /nfs/dbraw/zinc/02/67/50/520026750.db2.gz XDOIHULRBNWWFM-LXPRWKDFSA-N 1 0 372.421 2.672 20 5 FFBDRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000597534296 520086116 /nfs/dbraw/zinc/08/61/16/520086116.db2.gz VMAOMDVRBUGYAC-CHWSQXEVSA-N 1 0 356.220 2.570 20 5 FFBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000597620954 520140860 /nfs/dbraw/zinc/14/08/60/520140860.db2.gz WLCXPERCIQHNCP-OAHLLOKOSA-N 1 0 373.409 2.668 20 5 FFBDRO CC(C)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000600252630 520159659 /nfs/dbraw/zinc/15/96/59/520159659.db2.gz KSLFAQJHVUYXLG-GOSISDBHSA-N 1 0 356.426 2.906 20 5 FFBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000597699199 520184149 /nfs/dbraw/zinc/18/41/49/520184149.db2.gz IPBRUOFOVCQKIK-DGCLKSJQSA-N 1 0 355.822 2.568 20 5 FFBDRO Cc1cc(S(=O)(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000594854520 520191184 /nfs/dbraw/zinc/19/11/84/520191184.db2.gz OYRJRVDCIWWSTG-AWEZNQCLSA-N 1 0 367.471 2.589 20 5 FFBDRO Cc1n[nH]c(C(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)c1[N+](=O)[O-] ZINC000609174009 520219053 /nfs/dbraw/zinc/21/90/53/520219053.db2.gz ULNSNOBSAKJEHF-OAHLLOKOSA-N 1 0 357.414 2.583 20 5 FFBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000609196596 520228082 /nfs/dbraw/zinc/22/80/82/520228082.db2.gz ZRWIMUSZIXRFDF-CQSZACIVSA-N 1 0 369.487 2.700 20 5 FFBDRO C[C@H]1CC[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CS1(=O)=O ZINC000594973774 520235582 /nfs/dbraw/zinc/23/55/82/520235582.db2.gz FDPIRARDCOBRIZ-JSGCOSHPSA-N 1 0 364.423 2.910 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2CCc3ccc(O)cc32)cc1[N+](=O)[O-] ZINC000594979866 520239873 /nfs/dbraw/zinc/23/98/73/520239873.db2.gz MNWUTUOVPFMEDO-MRXNPFEDSA-N 1 0 372.377 2.629 20 5 FFBDRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000609269516 520248436 /nfs/dbraw/zinc/24/84/36/520248436.db2.gz SDLKWNUJLZLZAL-OAHLLOKOSA-N 1 0 363.458 2.733 20 5 FFBDRO C[C@H](c1ccccc1)[C@H](O)C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000595001970 520251298 /nfs/dbraw/zinc/25/12/98/520251298.db2.gz YTHFWWWBNYJZRM-CXAGYDPISA-N 1 0 358.394 2.620 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCNC(=O)c1ccccc1F ZINC000595016245 520257222 /nfs/dbraw/zinc/25/72/22/520257222.db2.gz JECYOFXYVAQCHN-GFCCVEGCSA-N 1 0 361.373 2.823 20 5 FFBDRO CN(CCCC[NH+]1CCCCC1)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000603418260 520257548 /nfs/dbraw/zinc/25/75/48/520257548.db2.gz WZOYPBOFKPNVTQ-UHFFFAOYSA-N 1 0 369.487 2.623 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCC[C@H]2CN(C(C)=O)C[C@H]21 ZINC000595046900 520268638 /nfs/dbraw/zinc/26/86/38/520268638.db2.gz CXHFOYVBTDUUCW-MZTNWIODSA-N 1 0 361.442 2.901 20 5 FFBDRO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000609310212 520270513 /nfs/dbraw/zinc/27/05/13/520270513.db2.gz XIHMFEWEPXZRJV-INIZCTEOSA-N 1 0 372.469 2.942 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000597859318 520286158 /nfs/dbraw/zinc/28/61/58/520286158.db2.gz UKJNVFLEUNDRQU-NSHDSACASA-N 1 0 370.247 2.960 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCN1C[C@@H]2CCCCN2C1=O ZINC000595098644 520293305 /nfs/dbraw/zinc/29/33/05/520293305.db2.gz DFGLWAUGCMLNQM-ZFWWWQNUSA-N 1 0 362.430 2.544 20 5 FFBDRO CCOc1ccc([C@H](C)[NH2+]C2CCN([C@@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000595106581 520297509 /nfs/dbraw/zinc/29/75/09/520297509.db2.gz VKZIXAQCNATUIO-WMLDXEAASA-N 1 0 363.458 2.897 20 5 FFBDRO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNc3ccsc3[N+](=O)[O-])c2)C1 ZINC000609384126 520300666 /nfs/dbraw/zinc/30/06/66/520300666.db2.gz RDLGSLGCQZILKF-HNNXBMFYSA-N 1 0 374.466 2.966 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000597878189 520301387 /nfs/dbraw/zinc/30/13/87/520301387.db2.gz NGJYSZVHQWTWCQ-UHFFFAOYSA-N 1 0 361.442 2.524 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000597925879 520326106 /nfs/dbraw/zinc/32/61/06/520326106.db2.gz XPVVBJRJTDAJIZ-NSHDSACASA-N 1 0 370.247 2.960 20 5 FFBDRO Cc1cccc(C(=O)Nc2ccc(CN3CC[NH+](C)CC3)cc2)c1[N+](=O)[O-] ZINC000603614159 520327679 /nfs/dbraw/zinc/32/76/79/520327679.db2.gz SYEMTPXYLSPPNP-UHFFFAOYSA-N 1 0 368.437 2.903 20 5 FFBDRO CC[C@@H]1CN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000592332629 520338686 /nfs/dbraw/zinc/33/86/86/520338686.db2.gz OOCHJSGQQWKKOD-BXKDBHETSA-N 1 0 356.220 2.557 20 5 FFBDRO CCN(C(=O)c1cc([N+](=O)[O-])cc(Br)c1C)[C@@H]1CC[N@H+](C)C1 ZINC000597945056 520344310 /nfs/dbraw/zinc/34/43/10/520344310.db2.gz HFPXRLXJPWASII-LLVKDONJSA-N 1 0 370.247 2.832 20 5 FFBDRO CCN(C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CC[N@H+](C)C1 ZINC000597945596 520344418 /nfs/dbraw/zinc/34/44/18/520344418.db2.gz JKZIBDDBMDKMEW-CYBMUJFWSA-N 1 0 355.822 2.570 20 5 FFBDRO COc1ccc(CC(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000595223789 520357563 /nfs/dbraw/zinc/35/75/63/520357563.db2.gz AUEYJYAHWNAYHC-HOTGVXAUSA-N 1 0 361.442 2.527 20 5 FFBDRO COc1ccc(CC(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000595223788 520358030 /nfs/dbraw/zinc/35/80/30/520358030.db2.gz AUEYJYAHWNAYHC-CVEARBPZSA-N 1 0 361.442 2.527 20 5 FFBDRO CCOc1ccc([C@@H](C)[NH2+]CC(C)(C)[C@@]2(O)CCOC2)cc1[N+](=O)[O-] ZINC000592398153 520367843 /nfs/dbraw/zinc/36/78/43/520367843.db2.gz QBFGKQYFQKUEMI-FZKQIMNGSA-N 1 0 352.431 2.822 20 5 FFBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000595257943 520376062 /nfs/dbraw/zinc/37/60/62/520376062.db2.gz OXTUYDLZJDNARE-KRWDZBQOSA-N 1 0 373.434 2.987 20 5 FFBDRO Cc1cccc(N2CC[NH+](CCCNc3cccnc3[N+](=O)[O-])CC2)c1 ZINC000603852176 520377903 /nfs/dbraw/zinc/37/79/03/520377903.db2.gz DOEIGGFJINRKGC-UHFFFAOYSA-N 1 0 355.442 2.922 20 5 FFBDRO Cn1cc(CN2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000592426368 520386129 /nfs/dbraw/zinc/38/61/29/520386129.db2.gz ZHRASMKHLCLPAC-LPHOPBHVSA-N 1 0 369.469 2.959 20 5 FFBDRO [NH3+]Cc1cccc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000592445123 520393458 /nfs/dbraw/zinc/39/34/58/520393458.db2.gz KBMRBVZACLJUOU-UHFFFAOYSA-N 1 0 354.410 2.909 20 5 FFBDRO Cc1c(C[NH+]2CCC(C(N)=O)(c3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000609672638 520400848 /nfs/dbraw/zinc/40/08/48/520400848.db2.gz NQXWPXRZNCNLGB-UHFFFAOYSA-N 1 0 353.422 2.922 20 5 FFBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3cnc4ccccc4n3)C2)nc1 ZINC000595371689 520435587 /nfs/dbraw/zinc/43/55/87/520435587.db2.gz RCBYLGMTOOSOGM-ZDUSSCGKSA-N 1 0 350.382 2.619 20 5 FFBDRO CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000592528487 520441225 /nfs/dbraw/zinc/44/12/25/520441225.db2.gz SAROHBWPPXYCGT-CSPWOOARSA-N 1 0 357.332 2.608 20 5 FFBDRO [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000592567670 520457792 /nfs/dbraw/zinc/45/77/92/520457792.db2.gz VIHYTJMCFVGSOW-QGZVFWFLSA-N 1 0 357.435 2.772 20 5 FFBDRO O=C(N[C@@H]1CC[NH2+]C12CCCC2)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000592571210 520459428 /nfs/dbraw/zinc/45/94/28/520459428.db2.gz VNLFBUCGSRIBDY-GOSISDBHSA-N 1 0 372.469 2.602 20 5 FFBDRO C[C@H](c1ccccc1)[C@H](CO)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000613388740 520479169 /nfs/dbraw/zinc/47/91/69/520479169.db2.gz FBBFKKBYURCNED-PBHICJAKSA-N 1 0 357.410 2.678 20 5 FFBDRO CCOC(=O)c1ccnc(N2CCC(C[NH+](CC)CC)CC2)c1[N+](=O)[O-] ZINC000609961480 520489614 /nfs/dbraw/zinc/48/96/14/520489614.db2.gz PFSFUQLDDIZUQE-UHFFFAOYSA-N 1 0 364.446 2.725 20 5 FFBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000595467545 520491498 /nfs/dbraw/zinc/49/14/98/520491498.db2.gz HPUYAJITRGFUHJ-MRXNPFEDSA-N 1 0 360.458 2.844 20 5 FFBDRO CCOC(=O)c1ccnc(NCC[N@@H+]2CCCC[C@H]2CC)c1[N+](=O)[O-] ZINC000609963710 520492119 /nfs/dbraw/zinc/49/21/19/520492119.db2.gz HVQZWASCAOEMCD-CYBMUJFWSA-N 1 0 350.419 2.843 20 5 FFBDRO C[N@@H+]1CC[C@@]2(C1)CCCN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000595504256 520515356 /nfs/dbraw/zinc/51/53/56/520515356.db2.gz HIYDEAJGCBBYOG-QGZVFWFLSA-N 1 0 366.849 2.604 20 5 FFBDRO COc1cc(C(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)c([N+](=O)[O-])cc1F ZINC000598261867 520526191 /nfs/dbraw/zinc/52/61/91/520526191.db2.gz HHSUBKCPEYWTQB-LBPRGKRZSA-N 1 0 353.394 2.593 20 5 FFBDRO Cc1ccc(C[NH2+][C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)cc1[N+](=O)[O-] ZINC000610090251 520534822 /nfs/dbraw/zinc/53/48/22/520534822.db2.gz YSFCZMQGCPYWAQ-VQTJNVASSA-N 1 0 369.465 2.876 20 5 FFBDRO C[C@@H](CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C[NH+]1CCCCC1 ZINC000604439040 520563396 /nfs/dbraw/zinc/56/33/96/520563396.db2.gz WQUAHISHPUACAI-HNNXBMFYSA-N 1 0 371.441 2.632 20 5 FFBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000595576541 520564468 /nfs/dbraw/zinc/56/44/68/520564468.db2.gz ZQOBAENQJMWICJ-QGZVFWFLSA-N 1 0 360.458 2.559 20 5 FFBDRO Cc1n[nH]c(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c1[N+](=O)[O-] ZINC000610200269 520576572 /nfs/dbraw/zinc/57/65/72/520576572.db2.gz WOBIBWXIASNXCM-NHYWBVRUSA-N 1 0 363.443 2.501 20 5 FFBDRO COc1ccc(-c2ccc(C[NH2+]CC[C@@H](O)C(F)F)o2)c([N+](=O)[O-])c1 ZINC000601147546 520660259 /nfs/dbraw/zinc/66/02/59/520660259.db2.gz RCWDJGHXESZTLR-CQSZACIVSA-N 1 0 356.325 2.969 20 5 FFBDRO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000593012741 520683914 /nfs/dbraw/zinc/68/39/14/520683914.db2.gz YIGAHXAHLDCRKY-QGZVFWFLSA-N 1 0 357.385 2.667 20 5 FFBDRO O=C(NCC1CC[NH+](CC2CC2)CC1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000598543604 520691606 /nfs/dbraw/zinc/69/16/06/520691606.db2.gz UWPGCCJDDOAZGF-UHFFFAOYSA-N 1 0 356.426 2.928 20 5 FFBDRO CN(CCCC[NH+](C)C)C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000610473589 520704471 /nfs/dbraw/zinc/70/44/71/520704471.db2.gz IULYSLFVFYGSDF-UHFFFAOYSA-N 1 0 357.838 2.817 20 5 FFBDRO Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cn1 ZINC000595767239 520709921 /nfs/dbraw/zinc/70/99/21/520709921.db2.gz AVVDPCNJAXHVPA-DZGCQCFKSA-N 1 0 354.414 2.706 20 5 FFBDRO COC(=O)c1ccnc(NC[C@]2([NH+](C)C)CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000598589990 520730513 /nfs/dbraw/zinc/73/05/13/520730513.db2.gz WMRJMEPPKHMYOM-SJCJKPOMSA-N 1 0 350.419 2.699 20 5 FFBDRO CCC[NH+]1CCC(CNS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)CC1 ZINC000598599245 520735345 /nfs/dbraw/zinc/73/53/45/520735345.db2.gz BCBVUBKASFFLBA-UHFFFAOYSA-N 1 0 369.487 2.612 20 5 FFBDRO COC(=O)c1ccnc(N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)c1[N+](=O)[O-] ZINC000598627704 520752097 /nfs/dbraw/zinc/75/20/97/520752097.db2.gz XQUMAXHIDPYDHV-XJKSGUPXSA-N 1 0 370.409 2.851 20 5 FFBDRO [NH3+][C@@]12CCC[C@H]1CN(C(=O)c1csc(-c3cccc([N+](=O)[O-])c3)n1)C2 ZINC000598669050 520775773 /nfs/dbraw/zinc/77/57/73/520775773.db2.gz GWASPNKZMLUQHT-YVEFUNNKSA-N 1 0 358.423 2.672 20 5 FFBDRO COc1cc(CN2C[C@@H]3CCC[C@@]3([NH3+])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000598684403 520785981 /nfs/dbraw/zinc/78/59/81/520785981.db2.gz WTSSYMUKMFSGGP-MEDUHNTESA-N 1 0 357.357 2.518 20 5 FFBDRO [NH3+]C[C@H]1CCc2ccccc2N1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000595902895 520809711 /nfs/dbraw/zinc/80/97/11/520809711.db2.gz HFUSWUGDCLSLST-CQSZACIVSA-N 1 0 374.828 2.967 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@H]([NH3+])CCc2ccccc21 ZINC000595904390 520812205 /nfs/dbraw/zinc/81/22/05/520812205.db2.gz XEJZZQWYIQEJGM-OAHLLOKOSA-N 1 0 354.410 2.622 20 5 FFBDRO O=C(c1cc(C2CC[NH2+]CC2)no1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000595932827 520831658 /nfs/dbraw/zinc/83/16/58/520831658.db2.gz RZNVHOSNFXGMEG-UHFFFAOYSA-N 1 0 370.409 2.855 20 5 FFBDRO [NH3+]CC12CC(C1)CN2C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000595942898 520834216 /nfs/dbraw/zinc/83/42/16/520834216.db2.gz MIEJIVAXNZXBNY-UHFFFAOYSA-N 1 0 366.421 2.770 20 5 FFBDRO O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000601555878 520837786 /nfs/dbraw/zinc/83/77/86/520837786.db2.gz HUQKLMSHYIFUBN-XJKSGUPXSA-N 1 0 372.450 2.932 20 5 FFBDRO CO[C@@H](C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000596066777 520891962 /nfs/dbraw/zinc/89/19/62/520891962.db2.gz QNQOYUQKFCGRAH-YJBOKZPZSA-N 1 0 352.431 2.519 20 5 FFBDRO NC(=O)c1cc(N[C@H]2CCC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000596079653 520899334 /nfs/dbraw/zinc/89/93/34/520899334.db2.gz VBXNHWIODBTYRA-INIZCTEOSA-N 1 0 354.410 2.770 20 5 FFBDRO O=c1[nH]ccc(NCCCC[NH+]2CCN(c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000596083229 520902917 /nfs/dbraw/zinc/90/29/17/520902917.db2.gz YSQJSWOXULNXOR-UHFFFAOYSA-N 1 0 371.441 2.710 20 5 FFBDRO CCO[C@@H]1CN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@H]1C[NH3+] ZINC000593317741 520905548 /nfs/dbraw/zinc/90/55/48/520905548.db2.gz WFHTUJUSVJRKHR-CZUORRHYSA-N 1 0 362.455 2.514 20 5 FFBDRO C[N@@H+]1CCCN(CCCNc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000596102879 520912918 /nfs/dbraw/zinc/91/29/18/520912918.db2.gz SDVZZNCNECIWJA-UHFFFAOYSA-N 1 0 371.279 2.797 20 5 FFBDRO C[N@H+](CCCO)C1CCN(c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000596127578 520929495 /nfs/dbraw/zinc/92/94/95/520929495.db2.gz ANIHFDVHJCCEGI-UHFFFAOYSA-N 1 0 372.263 2.640 20 5 FFBDRO CCC1([NH+](C)C)CCN(C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000601792298 520955152 /nfs/dbraw/zinc/95/51/52/520955152.db2.gz VENAUOJKCKYVET-UHFFFAOYSA-N 1 0 365.430 2.558 20 5 FFBDRO CC(C)[N@H+](C)CC1CCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000593418640 520982225 /nfs/dbraw/zinc/98/22/25/520982225.db2.gz IOKYTFADJZPHRH-UHFFFAOYSA-N 1 0 351.422 2.855 20 5 FFBDRO COc1cc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596227131 520983018 /nfs/dbraw/zinc/98/30/18/520983018.db2.gz OFQYLPPZRJWMHZ-ZDUSSCGKSA-N 1 0 369.849 2.805 20 5 FFBDRO C[C@H]1CN(c2ccnc3cc([N+](=O)[O-])ccc32)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000593463961 521009794 /nfs/dbraw/zinc/00/97/94/521009794.db2.gz ALAQFNRJUXZWMV-KXBFYZLASA-N 1 0 369.469 2.605 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)nccc2N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000593474582 521018504 /nfs/dbraw/zinc/01/85/04/521018504.db2.gz OFMZKVBEOUEZCM-HNNXBMFYSA-N 1 0 356.426 2.692 20 5 FFBDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CN(Cc3ccncc3)CCO2)cc1[N+](=O)[O-] ZINC000599086954 521025167 /nfs/dbraw/zinc/02/51/67/521025167.db2.gz CXTKXNATZUHIOF-LPHOPBHVSA-N 1 0 370.453 2.850 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCO[C@H](C(F)F)CC1 ZINC000601971651 521048141 /nfs/dbraw/zinc/04/81/41/521048141.db2.gz DHMWTDXJNWNXMZ-AWEZNQCLSA-N 1 0 357.357 2.588 20 5 FFBDRO Cc1cc(N2CCC[C@@H]3C[NH2+]CC[C@H]32)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000601982645 521056774 /nfs/dbraw/zinc/05/67/74/521056774.db2.gz KKUDHJDXJXRKCQ-NVXWUHKLSA-N 1 0 353.426 2.939 20 5 FFBDRO COCC(=O)NC1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000611261336 521064002 /nfs/dbraw/zinc/06/40/02/521064002.db2.gz ZJLDVZPNXAAQFD-UHFFFAOYSA-N 1 0 373.409 2.582 20 5 FFBDRO COC(=O)c1c(Cl)c(NCCN2C[C@H](C)OC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000596432190 521069396 /nfs/dbraw/zinc/06/93/96/521069396.db2.gz RCXZTOLZEKICPO-QWRGUYRKSA-N 1 0 371.821 2.556 20 5 FFBDRO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)c1cc([N+](=O)[O-])c[nH]1 ZINC000596485472 521094688 /nfs/dbraw/zinc/09/46/88/521094688.db2.gz JNIRVQNOWDLOLE-INIZCTEOSA-N 1 0 368.437 2.955 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000611350405 521112532 /nfs/dbraw/zinc/11/25/32/521112532.db2.gz LACVHEBUQMJPKX-JKSUJKDBSA-N 1 0 361.442 2.980 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CC[C@@]3(O)CCCOC3)cs2)c1 ZINC000593687146 521157564 /nfs/dbraw/zinc/15/75/64/521157564.db2.gz CQSXGYIGFBKGNM-KRWDZBQOSA-N 1 0 363.439 2.740 20 5 FFBDRO O=C(NCCC1CC[NH2+]CC1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000593707134 521168023 /nfs/dbraw/zinc/16/80/23/521168023.db2.gz FKYJVDHLBICUMJ-UHFFFAOYSA-N 1 0 374.363 2.803 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](NC[C@@H]2CCC[N@H+]2CCCO)C(F)(F)F)cc1 ZINC000593713128 521170033 /nfs/dbraw/zinc/17/00/33/521170033.db2.gz UXAFWIIPHFVWOZ-LSDHHAIUSA-N 1 0 361.364 2.635 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000602232345 521224485 /nfs/dbraw/zinc/22/44/85/521224485.db2.gz RRAOIOZOUYLPFL-UHFFFAOYSA-N 1 0 358.398 2.799 20 5 FFBDRO COC(=O)c1ccc(C[N@H+](C)CCCOc2ccc([N+](=O)[O-])cc2)nc1 ZINC000599443104 521228384 /nfs/dbraw/zinc/22/83/84/521228384.db2.gz IWSWETAZRKSKNA-UHFFFAOYSA-N 1 0 359.382 2.677 20 5 FFBDRO CCc1ccc(C(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cc1[N+](=O)[O-] ZINC000593911561 521287016 /nfs/dbraw/zinc/28/70/16/521287016.db2.gz GTXOYOJZQQNLJG-BQFCYCMXSA-N 1 0 361.442 2.516 20 5 FFBDRO CN1CCC([NH+]2CCC(Nc3ncnc4ccc([N+](=O)[O-])cc43)CC2)CC1 ZINC000611711500 521291554 /nfs/dbraw/zinc/29/15/54/521291554.db2.gz VPQOHUUBHOITKB-UHFFFAOYSA-N 1 0 370.457 2.509 20 5 FFBDRO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)C2 ZINC000599595898 521319030 /nfs/dbraw/zinc/31/90/30/521319030.db2.gz MPYRHHDLBJIZBH-IYBDPMFKSA-N 1 0 370.356 2.660 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000599603472 521326208 /nfs/dbraw/zinc/32/62/08/521326208.db2.gz HPJYMKJWRHZBED-ZYHUDNBSSA-N 1 0 360.336 2.894 20 5 FFBDRO Cc1cc(NC(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)ccc1[N+](=O)[O-] ZINC000599609879 521330820 /nfs/dbraw/zinc/33/08/20/521330820.db2.gz CMUDLEMIQHJATQ-INIZCTEOSA-N 1 0 362.430 2.526 20 5 FFBDRO C[C@@H]1COCCN1C1CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000593990929 521333601 /nfs/dbraw/zinc/33/36/01/521333601.db2.gz QICQLCJDWQJKPH-MRXNPFEDSA-N 1 0 363.458 2.549 20 5 FFBDRO CN(C)C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(Cl)c(Cl)c1 ZINC000599628989 521342811 /nfs/dbraw/zinc/34/28/11/521342811.db2.gz WKYKXLUZOSUFMX-OAHLLOKOSA-N 1 0 372.256 2.991 20 5 FFBDRO CC1(C)[C@@H](c2cccc(F)c2)CC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000599629781 521342862 /nfs/dbraw/zinc/34/28/62/521342862.db2.gz MHPFWEWUHGKZAV-DLBZAZTESA-N 1 0 362.405 2.559 20 5 FFBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCc2cc(C(F)(F)F)ccc2C1 ZINC000599635181 521346814 /nfs/dbraw/zinc/34/68/14/521346814.db2.gz OAXSHXPXYDRBSV-UHFFFAOYSA-N 1 0 367.327 2.834 20 5 FFBDRO COc1cc(C[N@@H+]2CCCCC[C@H]2CO)c([N+](=O)[O-])cc1OCC(F)F ZINC000594016658 521350695 /nfs/dbraw/zinc/35/06/95/521350695.db2.gz CIELSRGHXXFCRI-ZDUSSCGKSA-N 1 0 374.384 2.984 20 5 FFBDRO COc1ccccc1CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602497987 521380896 /nfs/dbraw/zinc/38/08/96/521380896.db2.gz FVVGJDIACUGVFT-UHFFFAOYSA-N 1 0 356.426 2.800 20 5 FFBDRO CCC1([NH+]2CCOCC2)CCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000599670640 521385096 /nfs/dbraw/zinc/38/50/96/521385096.db2.gz XZTHAKJAYUQKQG-UHFFFAOYSA-N 1 0 351.422 2.811 20 5 FFBDRO O=C(N[C@@H]1CC[NH2+]C12CCC2)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000602534869 521398604 /nfs/dbraw/zinc/39/86/04/521398604.db2.gz UPJRRBRGCHSLAK-CQSZACIVSA-N 1 0 358.423 2.733 20 5 FFBDRO O=[N+]([O-])c1sc(C[NH2+][C@H]2CCc3n[nH]cc3C2)cc1Br ZINC000602552669 521407226 /nfs/dbraw/zinc/40/72/26/521407226.db2.gz OZAWKWQUKICSEK-QMMMGPOBSA-N 1 0 357.233 2.789 20 5 FFBDRO Cn1nc(C(=O)OC(C)(C)C)cc1C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000602556975 521409004 /nfs/dbraw/zinc/40/90/04/521409004.db2.gz HQKWFUTVRJTCSK-UHFFFAOYSA-N 1 0 360.414 2.616 20 5 FFBDRO CS[C@@H](CO)[C@@H](C)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602555650 521409765 /nfs/dbraw/zinc/40/97/65/521409765.db2.gz GWJMXVNRCPFMKT-MUWHJKNJSA-N 1 0 355.279 2.621 20 5 FFBDRO CC(C)[C@H]1OCCC[C@@H]1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602562852 521411015 /nfs/dbraw/zinc/41/10/15/521411015.db2.gz JSOJVCAPENWZED-DNVCBOLYSA-N 1 0 362.474 2.999 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCC[C@@H]3CCCC[C@@H]3O)CC2)cn1 ZINC000602578148 521419090 /nfs/dbraw/zinc/41/90/90/521419090.db2.gz VWXSTVXNQYQGIA-YJBOKZPZSA-N 1 0 362.474 2.880 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCC[C@H]3CCCC[C@H]3O)CC2)cn1 ZINC000602578145 521419703 /nfs/dbraw/zinc/41/97/03/521419703.db2.gz VWXSTVXNQYQGIA-CRAIPNDOSA-N 1 0 362.474 2.880 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)CC2)cn1 ZINC000602582948 521423565 /nfs/dbraw/zinc/42/35/65/521423565.db2.gz ZFMCXPRVXPUWGE-JQHSSLGASA-N 1 0 358.442 2.506 20 5 FFBDRO Cc1cccn2cc(C[NH2+]C3CCN(c4ccc([N+](=O)[O-])nc4)CC3)nc12 ZINC000602593631 521429611 /nfs/dbraw/zinc/42/96/11/521429611.db2.gz LXECWVZFEJQOMA-UHFFFAOYSA-N 1 0 366.425 2.705 20 5 FFBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000602600323 521433122 /nfs/dbraw/zinc/43/31/22/521433122.db2.gz VODGBDPJOZCMMT-UMSPYCQHSA-N 1 0 357.863 2.974 20 5 FFBDRO COc1cnccc1[C@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602626160 521443514 /nfs/dbraw/zinc/44/35/14/521443514.db2.gz JFBVQQIEOZOVMZ-ZDUSSCGKSA-N 1 0 357.414 2.713 20 5 FFBDRO COc1ccc(NC(=O)[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000599745774 521444083 /nfs/dbraw/zinc/44/40/83/521444083.db2.gz YMJNIJGENAAERN-JKSUJKDBSA-N 1 0 355.394 2.887 20 5 FFBDRO Cc1cccc(CCC[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)n1 ZINC000602652330 521458898 /nfs/dbraw/zinc/45/88/98/521458898.db2.gz WZKPVCKNUFZCPT-UHFFFAOYSA-N 1 0 355.442 2.884 20 5 FFBDRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000594198967 521464172 /nfs/dbraw/zinc/46/41/72/521464172.db2.gz WQICGJKXWJUHKM-ZIAGYGMSSA-N 1 0 369.368 2.943 20 5 FFBDRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000594198700 521464486 /nfs/dbraw/zinc/46/44/86/521464486.db2.gz VCPGVBPGRAHVAS-HOTGVXAUSA-N 1 0 369.425 2.527 20 5 FFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+][C@H]1CCCN(CCCO)C1 ZINC000602675884 521474532 /nfs/dbraw/zinc/47/45/32/521474532.db2.gz WPBRABFSADBYKG-AWEZNQCLSA-N 1 0 361.364 2.550 20 5 FFBDRO Cn1cc(C[N@@H+]2CCC[C@@H](CCC(=O)OC(C)(C)C)C2)c([N+](=O)[O-])n1 ZINC000602693474 521481097 /nfs/dbraw/zinc/48/10/97/521481097.db2.gz MOAVKQHNLYURAL-ZDUSSCGKSA-N 1 0 352.435 2.662 20 5 FFBDRO CCC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C1 ZINC000599830057 521497325 /nfs/dbraw/zinc/49/73/25/521497325.db2.gz PSJYDOXQCZAVNY-ZDUSSCGKSA-N 1 0 357.414 2.996 20 5 FFBDRO O=C(Nc1ccc([N+](=O)[O-])c2ccncc12)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000599831192 521500192 /nfs/dbraw/zinc/50/01/92/521500192.db2.gz PQNDBQBVFYTTCI-CHWSQXEVSA-N 1 0 355.398 2.891 20 5 FFBDRO Nc1c(NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cc(Cl)cc1[N+](=O)[O-] ZINC000597095539 521501938 /nfs/dbraw/zinc/50/19/38/521501938.db2.gz YDDVPRNPQBOJSG-GFCCVEGCSA-N 1 0 367.837 2.923 20 5 FFBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)Nc3cc(Cl)cc([N+](=O)[O-])c3N)CC[C@@H]21 ZINC000597102543 521507602 /nfs/dbraw/zinc/50/76/02/521507602.db2.gz XUCAYUCKMYLIEO-MFKMUULPSA-N 1 0 367.837 2.778 20 5 FFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CCCc2c1cnn2CCO ZINC000615720637 521510947 /nfs/dbraw/zinc/51/09/47/521510947.db2.gz ZSPPAZDICIGKBJ-BLSFAOBESA-N 1 0 356.426 2.854 20 5 FFBDRO CC[NH+](CC)[C@H](C)CNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599858380 521517552 /nfs/dbraw/zinc/51/75/52/521517552.db2.gz XBLXUNCKNHVYOO-SNVBAGLBSA-N 1 0 358.236 2.817 20 5 FFBDRO COC[C@@H](C)Oc1ccc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])cc1 ZINC000597126651 521524511 /nfs/dbraw/zinc/52/45/11/521524511.db2.gz GNMWUPMHUORPNJ-OAHLLOKOSA-N 1 0 359.426 2.974 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000602835701 521560315 /nfs/dbraw/zinc/56/03/15/521560315.db2.gz CGUNHOJTMXZEQF-RDJZCZTQSA-N 1 0 363.849 2.788 20 5 FFBDRO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000597194019 521567975 /nfs/dbraw/zinc/56/79/75/521567975.db2.gz YFHXSCDDWWBXHA-GOEBONIOSA-N 1 0 362.407 2.743 20 5 FFBDRO O=C1CC[C@H]2C[N@H+](Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)CC[C@H]2N1 ZINC000597207818 521575381 /nfs/dbraw/zinc/57/53/81/521575381.db2.gz VTRRKYDXDPBJHP-WMLDXEAASA-N 1 0 355.394 2.955 20 5 FFBDRO CCOC(=O)[C@]1(C)CCC[C@H]1[NH2+]Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000597241607 521592151 /nfs/dbraw/zinc/59/21/51/521592151.db2.gz UJZDPXKSQFEMID-SJLPKXTDSA-N 1 0 366.414 2.824 20 5 FFBDRO COc1cccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])cn2C)[NH+]2CCCC2)c1 ZINC000619525369 521753409 /nfs/dbraw/zinc/75/34/09/521753409.db2.gz GDAZOQIOWQBACV-GOSISDBHSA-N 1 0 372.425 2.509 20 5 FFBDRO CC(C)[N@@H+]1CCCC[C@H]1CN1C(=O)N[C@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000619863437 521909770 /nfs/dbraw/zinc/90/97/70/521909770.db2.gz FUDKKTIACPVLER-QFBILLFUSA-N 1 0 374.441 2.625 20 5 FFBDRO C[C@H]([NH2+]CCOc1ccc(-c2nn[nH]n2)cc1)c1ccccc1[N+](=O)[O-] ZINC000820419213 599382449 /nfs/dbraw/zinc/38/24/49/599382449.db2.gz FTIQUQRVZJTKQZ-LBPRGKRZSA-N 1 0 354.370 2.505 20 5 FFBDRO C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)[C@H]1c1ccccc1 ZINC000826028545 607967808 /nfs/dbraw/zinc/96/78/08/607967808.db2.gz CBLQFYPAKILVJE-IAGOWNOFSA-N 1 0 365.397 2.632 20 5 FFBDRO C[N@H+](CC=Cc1ccccc1[N+](=O)[O-])Cc1cccc(-c2nn[nH]n2)c1 ZINC000825914625 608521472 /nfs/dbraw/zinc/52/14/72/608521472.db2.gz MBDXBFFYUKUNIV-UITAMQMPSA-N 1 0 350.382 2.920 20 5 FFBDRO Clc1ccc2ccc3ccc(N4CCN5CC[NH2+]C[C@H]5C4)nc3c2n1 ZINC001164398405 718834619 /nfs/dbraw/zinc/83/46/19/718834619.db2.gz FPDVPLOBDZLTCJ-HNNXBMFYSA-N 1 0 353.857 2.530 20 5 FFBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164723558 720350464 /nfs/dbraw/zinc/35/04/64/720350464.db2.gz HYBPQQIBCATRMQ-KBPBESRZSA-N 1 0 374.832 2.595 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)cc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164723930 720368248 /nfs/dbraw/zinc/36/82/48/720368248.db2.gz IDIJMOKSVQGAQY-CABCVRRESA-N 1 0 359.817 2.891 20 5 FFBDRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2ccc3c(cccc3[N+](=O)[O-])n2)C1 ZINC001164732153 720513716 /nfs/dbraw/zinc/51/37/16/720513716.db2.gz YUPFZEKYIKPAPB-CQSZACIVSA-N 1 0 366.425 2.538 20 5 FFBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N2CC[NH+](C3CCCC3)CC2)n1 ZINC001165029351 721853445 /nfs/dbraw/zinc/85/34/45/721853445.db2.gz KWPCEXZRJGQIKG-UHFFFAOYSA-N 1 0 357.867 2.825 20 5 FFBDRO C[NH+](C)CC1CCN(c2ccc(-c3ccc(F)c([N+](=O)[O-])c3)nn2)CC1 ZINC001165042394 721950487 /nfs/dbraw/zinc/95/04/87/721950487.db2.gz MYSBTNOGJVRITO-UHFFFAOYSA-N 1 0 359.405 2.969 20 5 FFBDRO O=[N+]([O-])c1ccc2ccc(N3CC[NH+](CCc4ccccn4)CC3)nc2c1 ZINC001165053829 722011309 /nfs/dbraw/zinc/01/13/09/722011309.db2.gz MBGOBVNBYGIBPY-UHFFFAOYSA-N 1 0 363.421 2.903 20 5 FFBDRO COC(=O)CC[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C1CCOCC1 ZINC000154081809 728795801 /nfs/dbraw/zinc/79/58/01/728795801.db2.gz VKWIQTHAOWOYFJ-UHFFFAOYSA-N 1 0 356.806 2.792 20 5 FFBDRO CC1(C)C[C@H]([NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C(C)(C)O1 ZINC000132039203 728723537 /nfs/dbraw/zinc/72/35/37/728723537.db2.gz LVNUCEYSMQMHPL-AWEZNQCLSA-N 1 0 353.394 2.998 20 5 FFBDRO CC[NH+]1CCN([C@H](C)CNc2cccc(Br)c2[N+](=O)[O-])CC1 ZINC000856723592 730350131 /nfs/dbraw/zinc/35/01/31/730350131.db2.gz YCSRDQTYLGPWRL-GFCCVEGCSA-N 1 0 371.279 2.795 20 5 FFBDRO O=[N+]([O-])c1c(Br)cccc1NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000856763167 730355828 /nfs/dbraw/zinc/35/58/28/730355828.db2.gz BTVZBYZAFYRFGT-PHIMTYICSA-N 1 0 356.220 2.632 20 5 FFBDRO COC1CC[NH+](C(C)(C)CNC(=O)c2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000859274274 730448023 /nfs/dbraw/zinc/44/80/23/730448023.db2.gz ZWIJLRYIPSRRET-UHFFFAOYSA-N 1 0 369.849 2.867 20 5 FFBDRO C[C@@H]1CC[C@H](NC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C[NH2+]1 ZINC000859667322 730462385 /nfs/dbraw/zinc/46/23/85/730462385.db2.gz GABYFAOQDCGRGQ-SCZZXKLOSA-N 1 0 357.208 2.619 20 5 FFBDRO CO[C@@H]1C[N@H+](C)[C@@](C)(COC(=O)c2cc(SC)ccc2[N+](=O)[O-])C1 ZINC000861343846 730601435 /nfs/dbraw/zinc/60/14/35/730601435.db2.gz LODGZZVCIABZGK-MEDUHNTESA-N 1 0 354.428 2.583 20 5 FFBDRO CO[C@@H]1C[N@H+](C)[C@](C)(COC(=O)c2cccc(SC)c2[N+](=O)[O-])C1 ZINC000861349816 730603061 /nfs/dbraw/zinc/60/30/61/730603061.db2.gz VUJIKWNTCMTFHF-ZBEGNZNMSA-N 1 0 354.428 2.583 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(F)c(C(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)c1F ZINC000863031911 730744529 /nfs/dbraw/zinc/74/45/29/730744529.db2.gz KFQRFIALFMFYKP-GFCCVEGCSA-N 1 0 353.369 2.928 20 5 FFBDRO O=[N+]([O-])c1ccc(Cl)cc1CN1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000863573609 730791549 /nfs/dbraw/zinc/79/15/49/730791549.db2.gz BQGCTTHXJFADAA-INIZCTEOSA-N 1 0 353.850 2.839 20 5 FFBDRO O=[N+]([O-])c1cc(CO)c(N2CCC(C[NH+]3CCCCC3)CC2)cc1F ZINC000865478273 730960522 /nfs/dbraw/zinc/96/05/22/730960522.db2.gz YMLIJJTVUBXAFL-UHFFFAOYSA-N 1 0 351.422 2.929 20 5 FFBDRO O=[N+]([O-])c1ccc(Cl)c(Cl)c1N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000865955582 731015375 /nfs/dbraw/zinc/01/53/75/731015375.db2.gz HILXMGIOXLZXFQ-LLVKDONJSA-N 1 0 360.241 2.937 20 5 FFBDRO CC(C)C(=O)N1CCC([NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000866230462 731042570 /nfs/dbraw/zinc/04/25/70/731042570.db2.gz VIGBBTGEJFVJKM-ZDUSSCGKSA-N 1 0 351.422 2.902 20 5 FFBDRO C[NH+](C)CCN(Cc1cccs1)C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000866438130 731060272 /nfs/dbraw/zinc/06/02/72/731060272.db2.gz BXJARUUDSYVULF-UHFFFAOYSA-N 1 0 365.430 2.928 20 5 FFBDRO C[C@H](NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872048004 731724048 /nfs/dbraw/zinc/72/40/48/731724048.db2.gz GAJRPLCBKDEVOK-XGWLTEMNSA-N 1 0 351.422 2.762 20 5 FFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@H](c3cccs3)N3CCCC3)C2)c1 ZINC000876884010 732291315 /nfs/dbraw/zinc/29/13/15/732291315.db2.gz FLIZHTNKPIYISM-ZBCRRDGASA-N 1 0 361.471 2.983 20 5 FFBDRO [NH3+]C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC[C@H]1C(F)(F)F ZINC000877015706 732312339 /nfs/dbraw/zinc/31/23/39/732312339.db2.gz AHYBHSIZMVQTPL-NXEZZACHSA-N 1 0 365.739 2.848 20 5 FFBDRO [NH3+]CC1(NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CCCCC1 ZINC000877205977 732334210 /nfs/dbraw/zinc/33/42/10/732334210.db2.gz ZUKSMIAOGHLPPN-UHFFFAOYSA-N 1 0 374.210 2.888 20 5 FFBDRO CC(C)(O)C[N@@H+]1CC[C@H](NCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000877665175 732408610 /nfs/dbraw/zinc/40/86/10/732408610.db2.gz KIGQBBOLSRYIEJ-LBPRGKRZSA-N 1 0 362.257 2.836 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(O)(c2ccccc2Cl)CC1 ZINC000878514485 732545629 /nfs/dbraw/zinc/54/56/29/732545629.db2.gz VXZPVDVZLISRBY-UHFFFAOYSA-N 1 0 364.833 2.737 20 5 FFBDRO COc1cc(C[N@@H+]2[C@@H](C)CC[C@H]2CO)c([N+](=O)[O-])cc1OCC(F)F ZINC000880439637 732908804 /nfs/dbraw/zinc/90/88/04/732908804.db2.gz GDUXDMYKZYOIJP-JQWIXIFHSA-N 1 0 360.357 2.593 20 5 FFBDRO O=C(C[NH2+][C@@H]1CCC[C@]12CCCO2)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000880505356 732915625 /nfs/dbraw/zinc/91/56/25/732915625.db2.gz BKWSDGGTSWADMZ-ZBFHGGJFSA-N 1 0 353.806 2.878 20 5 FFBDRO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000881469539 733058618 /nfs/dbraw/zinc/05/86/18/733058618.db2.gz NLRZFYMCEHCMJB-AWEZNQCLSA-N 1 0 367.833 2.621 20 5 FFBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)S2(=O)=O)C1CC1 ZINC000927041955 738685183 /nfs/dbraw/zinc/68/51/83/738685183.db2.gz SRCQOBFRFMMNOA-HMQMGEFJSA-N 1 0 364.467 2.614 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H](O)C(F)(F)C(F)(F)F ZINC000883362695 733373768 /nfs/dbraw/zinc/37/37/68/733373768.db2.gz LJYVOQYGSNEMFN-RDDDGLTNSA-N 1 0 358.263 2.813 20 5 FFBDRO COCc1cc([N+](=O)[O-])ccc1N1C[C@@H](SC)[C@H]([NH+]2CCCC2)C1 ZINC000782381155 738715927 /nfs/dbraw/zinc/71/59/27/738715927.db2.gz SNNHAHDDCSFXES-IAGOWNOFSA-N 1 0 351.472 2.757 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N(C)CC(C)(C)C[NH+](C)C)cc1SC ZINC000890883527 734350528 /nfs/dbraw/zinc/35/05/28/734350528.db2.gz HDFRPJVTBNVHKU-UHFFFAOYSA-N 1 0 369.487 2.985 20 5 FFBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000891667356 734459463 /nfs/dbraw/zinc/45/94/63/734459463.db2.gz CIUOMPGTVKYFSZ-KRWDZBQOSA-N 1 0 366.849 2.923 20 5 FFBDRO COc1c(O)ccc(C[NH+]2CCC(C3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000892123545 734517132 /nfs/dbraw/zinc/51/71/32/734517132.db2.gz WBEIPTHEUXGPKG-UHFFFAOYSA-N 1 0 350.415 2.948 20 5 FFBDRO C[NH+](C)CC(C)(C)CNc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000731905339 734704514 /nfs/dbraw/zinc/70/45/14/734704514.db2.gz ADLHZZBZKDYCBC-UHFFFAOYSA-N 1 0 365.402 2.591 20 5 FFBDRO Cn1nc(Br)nc1C[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000894314564 734835533 /nfs/dbraw/zinc/83/55/33/734835533.db2.gz HYFQWFRIULZOEL-UHFFFAOYSA-N 1 0 368.235 2.598 20 5 FFBDRO Cn1ccnc1[C@@H]1C[C@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000894792620 734917801 /nfs/dbraw/zinc/91/78/01/734917801.db2.gz ZMSRWPDWUWIFTG-HIFRSBDPSA-N 1 0 350.806 2.992 20 5 FFBDRO Cn1ccnc1[C@@H]1C[C@@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000894792622 734917835 /nfs/dbraw/zinc/91/78/35/734917835.db2.gz ZMSRWPDWUWIFTG-ZFWWWQNUSA-N 1 0 350.806 2.992 20 5 FFBDRO C[S@@](=O)CC[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000735085275 734928364 /nfs/dbraw/zinc/92/83/64/734928364.db2.gz OJHXPWUVGZUVIY-XMMPIXPASA-N 1 0 352.387 2.994 20 5 FFBDRO NC(=O)[C@]1(c2ccccc2)CC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000894999358 734949907 /nfs/dbraw/zinc/94/99/07/734949907.db2.gz BOTZPBLYVLGAHA-GOSISDBHSA-N 1 0 359.813 2.877 20 5 FFBDRO O=C1N(CC[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C[C@@H]2CCCCN12 ZINC000895344198 734993593 /nfs/dbraw/zinc/99/35/93/734993593.db2.gz UZOFVLWMWZBXMC-ZDUSSCGKSA-N 1 0 352.822 2.628 20 5 FFBDRO C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000895610439 735032071 /nfs/dbraw/zinc/03/20/71/735032071.db2.gz BRZJSVRELDLNDB-MFKMUULPSA-N 1 0 370.247 2.894 20 5 FFBDRO Cn1nnc2c1C[C@@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])CC2 ZINC000897347484 735223107 /nfs/dbraw/zinc/22/31/07/735223107.db2.gz NRYMPZHPIDKLFH-JTQLQIEISA-N 1 0 356.213 2.677 20 5 FFBDRO Cc1c(C(=O)N(C)CCCC[NH+](C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000747399206 735562057 /nfs/dbraw/zinc/56/20/57/735562057.db2.gz ONKNPAIVAGTAKL-UHFFFAOYSA-N 1 0 352.391 2.534 20 5 FFBDRO COC(=O)/C=C/c1ccc(NC[C@]2([NH+](C)C)CCSC2)c([N+](=O)[O-])c1 ZINC000748280620 735632798 /nfs/dbraw/zinc/63/27/98/735632798.db2.gz CLDPJMPGHNVRQI-QQOXCAACSA-N 1 0 365.455 2.630 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC12CC[NH+](C)CC2 ZINC000748326208 735635528 /nfs/dbraw/zinc/63/55/28/735635528.db2.gz NIKVJVVRNAXPFI-LBPRGKRZSA-N 1 0 367.833 2.712 20 5 FFBDRO CC[NH+](CC)C[C@H](C)NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000748841404 735676364 /nfs/dbraw/zinc/67/63/64/735676364.db2.gz PJAQUVVIJMOKSV-JTQLQIEISA-N 1 0 352.391 2.580 20 5 FFBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C1 ZINC000901135544 735747970 /nfs/dbraw/zinc/74/79/70/735747970.db2.gz ODPGEFWEANLYOW-GWCFXTLKSA-N 1 0 355.797 2.944 20 5 FFBDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000750078364 735769691 /nfs/dbraw/zinc/76/96/91/735769691.db2.gz DVSIVONKFNJBSQ-CYBMUJFWSA-N 1 0 369.849 2.821 20 5 FFBDRO Cc1c([C@H](C)[NH2+]CC2(O)CCC3(CC2)OCCO3)cccc1[N+](=O)[O-] ZINC000903374573 736084718 /nfs/dbraw/zinc/08/47/18/736084718.db2.gz LHNFYVYOBOCONN-AWEZNQCLSA-N 1 0 350.415 2.602 20 5 FFBDRO CN(Cc1c(Br)cccc1[N+](=O)[O-])[C@H](C[NH3+])C(F)(F)F ZINC000903769899 736164273 /nfs/dbraw/zinc/16/42/73/736164273.db2.gz RAUWSUKIWHAUJN-SNVBAGLBSA-N 1 0 356.142 2.679 20 5 FFBDRO C[C@@H]1C[N@@H+](CCCCNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000754613910 736179855 /nfs/dbraw/zinc/17/98/55/736179855.db2.gz KQDJJGADFFBKSS-BETUJISGSA-N 1 0 352.391 2.804 20 5 FFBDRO [NH3+][C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC[C@@H]1C(F)(F)F ZINC000903981877 736199601 /nfs/dbraw/zinc/19/96/01/736199601.db2.gz JNDPMDWSVWXNFK-WDEREUQCSA-N 1 0 369.290 2.908 20 5 FFBDRO [NH3+][C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC[C@H]1C(F)(F)F ZINC000903981874 736199616 /nfs/dbraw/zinc/19/96/16/736199616.db2.gz JNDPMDWSVWXNFK-GHMZBOCLSA-N 1 0 369.290 2.908 20 5 FFBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@H](O)C[C@H](O)c2ccccc2)c1 ZINC000905160631 736303733 /nfs/dbraw/zinc/30/37/33/736303733.db2.gz PLBLTRFQYTUHFL-WBVHZDCISA-N 1 0 350.802 2.822 20 5 FFBDRO O=[N+]([O-])c1cc(Br)ccc1C[NH2+]C[C@@H](O)CC(F)(F)F ZINC000905428028 736339707 /nfs/dbraw/zinc/33/97/07/736339707.db2.gz QGLJTCKMTUZRFJ-VIFPVBQESA-N 1 0 357.126 2.760 20 5 FFBDRO O=C(CC[NH2+]CCc1nc2c(s1)CCC2)Nc1ccccc1[N+](=O)[O-] ZINC000905568875 736361429 /nfs/dbraw/zinc/36/14/29/736361429.db2.gz MPYQBINIDYRQDF-UHFFFAOYSA-N 1 0 360.439 2.701 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H]1CCSC2(CCC2)C1 ZINC000905600485 736367134 /nfs/dbraw/zinc/36/71/34/736367134.db2.gz LHSJLLLXOVTFJT-UONOGXRCSA-N 1 0 352.456 2.742 20 5 FFBDRO CC1(C)CC[C@@H](CC[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])OC1 ZINC000905641515 736374462 /nfs/dbraw/zinc/37/44/62/736374462.db2.gz CXBQWYXYAKFPSX-CABCVRRESA-N 1 0 352.431 2.519 20 5 FFBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000756967373 736378400 /nfs/dbraw/zinc/37/84/00/736378400.db2.gz WMLCUEHUXMKLDT-OLZOCXBDSA-N 1 0 352.822 2.674 20 5 FFBDRO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000906362171 736490555 /nfs/dbraw/zinc/49/05/55/736490555.db2.gz QCDJGCBPDANYJY-GFCCVEGCSA-N 1 0 351.834 2.781 20 5 FFBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000906848207 736550833 /nfs/dbraw/zinc/55/08/33/736550833.db2.gz VGNLOKBHYRFUSS-CYBMUJFWSA-N 1 0 353.850 2.981 20 5 FFBDRO Cc1c(CO)cc([N+](=O)[O-])c(N[C@H](C)C(C)(C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000759237249 736556083 /nfs/dbraw/zinc/55/60/83/736556083.db2.gz QVNWSCKMPGGTTQ-LLVKDONJSA-N 1 0 354.407 2.692 20 5 FFBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc(N3CCOCC3)nc2)cc1Cl ZINC000761527987 736743243 /nfs/dbraw/zinc/74/32/43/736743243.db2.gz WJTRVTZYBBFCGM-UHFFFAOYSA-N 1 0 362.817 2.770 20 5 FFBDRO CC[N@@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)[C@H](C)C1 ZINC000910282409 737052511 /nfs/dbraw/zinc/05/25/11/737052511.db2.gz PCAQPEOYBYQZQO-LLVKDONJSA-N 1 0 370.247 2.914 20 5 FFBDRO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1C[C@@H]([NH+]2CCCC2)C1 ZINC000911582449 737213928 /nfs/dbraw/zinc/21/39/28/737213928.db2.gz REFCUEYMKYIKGK-OTVXOJSOSA-N 1 0 351.834 2.924 20 5 FFBDRO C[C@@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000912651620 737328111 /nfs/dbraw/zinc/32/81/11/737328111.db2.gz XHWQBLVKBLWEER-NEPJUHHUSA-N 1 0 352.410 2.651 20 5 FFBDRO O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CCC([NH+]2CCC2)CC1 ZINC000912875734 737352223 /nfs/dbraw/zinc/35/22/23/737352223.db2.gz OIEYACAYEMVLQR-UHFFFAOYSA-N 1 0 355.341 2.507 20 5 FFBDRO O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCC([NH+]2CCC2)CC1 ZINC000912877245 737352239 /nfs/dbraw/zinc/35/22/39/737352239.db2.gz WVRCXTJMVQSTEA-UHFFFAOYSA-N 1 0 357.332 2.924 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC([NH+]2CCC2)CC1 ZINC000912881190 737353239 /nfs/dbraw/zinc/35/32/39/737353239.db2.gz RABSATTVOCPRDK-LBPRGKRZSA-N 1 0 367.833 2.712 20 5 FFBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@H]([NH+]2CCC2)C1 ZINC000912911288 737356483 /nfs/dbraw/zinc/35/64/83/737356483.db2.gz FOHQQCWTZXWOJD-LBPRGKRZSA-N 1 0 355.847 2.647 20 5 FFBDRO C[NH+](C)C1(C)CCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000913387197 737397335 /nfs/dbraw/zinc/39/73/35/737397335.db2.gz PJVFDNVIMPIQNC-UHFFFAOYSA-N 1 0 370.247 2.914 20 5 FFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CN2CCC[C@H]2CO1 ZINC000768100855 737397715 /nfs/dbraw/zinc/39/77/15/737397715.db2.gz DFSOZXIAKWMJTG-OWCLPIDISA-N 1 0 365.499 2.918 20 5 FFBDRO O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)N1CC[NH+](C2CCOCC2)CC1 ZINC000770006874 737589127 /nfs/dbraw/zinc/58/91/27/737589127.db2.gz DVOKUAWHFHSUCV-UHFFFAOYSA-N 1 0 368.821 2.577 20 5 FFBDRO CC(C)[C@H](C[NH+](C)C)NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000770262120 737610120 /nfs/dbraw/zinc/61/01/20/737610120.db2.gz CRZMYDSAEORSCU-ZDUSSCGKSA-N 1 0 358.236 2.673 20 5 FFBDRO COC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000775352343 738085914 /nfs/dbraw/zinc/08/59/14/738085914.db2.gz RVNJXWRSZAGKDF-OCCSQVGLSA-N 1 0 351.403 2.560 20 5 FFBDRO COC[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)c(F)c1 ZINC000775385211 738089532 /nfs/dbraw/zinc/08/95/32/738089532.db2.gz JWKKXXOWYTWXMW-IRXDYDNUSA-N 1 0 352.337 2.884 20 5 FFBDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000923267480 738264030 /nfs/dbraw/zinc/26/40/30/738264030.db2.gz WSQLARHUHAHKMD-NWDGAFQWSA-N 1 0 357.332 2.922 20 5 FFBDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000923274498 738264808 /nfs/dbraw/zinc/26/48/08/738264808.db2.gz LNRMSWFZDWOFJJ-CMPLNLGQSA-N 1 0 355.341 2.505 20 5 FFBDRO C[NH+](C)CC(C)(C)CNC(=S)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000777923886 738331698 /nfs/dbraw/zinc/33/16/98/738331698.db2.gz UXFAGHSTTVSCGZ-UHFFFAOYSA-N 1 0 372.922 2.843 20 5 FFBDRO CC[N@@H+]1CCC[C@H]1CNC(=S)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000777923766 738331704 /nfs/dbraw/zinc/33/17/04/738331704.db2.gz SIYXXBQVBOLJAZ-AWEZNQCLSA-N 1 0 370.906 2.739 20 5 FFBDRO CC(C)[NH+](CCCNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1)C(C)C ZINC000778303180 738370902 /nfs/dbraw/zinc/37/09/02/738370902.db2.gz LXQKXIIWKCIWMG-UHFFFAOYSA-N 1 0 365.459 2.838 20 5 FFBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)[NH+]1CCCCC1 ZINC000778638031 738400368 /nfs/dbraw/zinc/40/03/68/738400368.db2.gz QAIKYWQBJISQTP-LLVKDONJSA-N 1 0 357.357 2.800 20 5 FFBDRO C[C@@]1([NH2+]CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCO[C@H]1C1CC1 ZINC000784586963 738905790 /nfs/dbraw/zinc/90/57/90/738905790.db2.gz BSQBXMCJWVXGLZ-JKSUJKDBSA-N 1 0 353.806 2.734 20 5 FFBDRO C[C@@H](O)[C@H]1C[C@H](C)CC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000785547490 738976140 /nfs/dbraw/zinc/97/61/40/738976140.db2.gz YVVDULVJDZARHN-XHBSWPGZSA-N 1 0 353.394 2.544 20 5 FFBDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000785829551 739002077 /nfs/dbraw/zinc/00/20/77/739002077.db2.gz BKPUQGHVMOGAFV-GFCCVEGCSA-N 1 0 367.833 2.574 20 5 FFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](C[C@@H]3CC[C@H](C(F)(F)F)O3)C2)nc1 ZINC000929986647 739045469 /nfs/dbraw/zinc/04/54/69/739045469.db2.gz IDLZNCHOFBODIA-KGYLQXTDSA-N 1 0 360.336 2.586 20 5 FFBDRO CCC[NH+]1CCC(N(C)C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)CC1 ZINC000930452887 739111542 /nfs/dbraw/zinc/11/15/42/739111542.db2.gz ZONIOVHOOSILRX-UHFFFAOYSA-N 1 0 372.828 2.916 20 5 FFBDRO CC(C)[NH+]1CCN(CCCOC(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000787579434 739148285 /nfs/dbraw/zinc/14/82/85/739148285.db2.gz VRLAHHVBAFJOBS-UHFFFAOYSA-N 1 0 369.849 2.821 20 5 FFBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000930773960 739160887 /nfs/dbraw/zinc/16/08/87/739160887.db2.gz RORHETRGPICELP-CYBMUJFWSA-N 1 0 350.419 2.799 20 5 FFBDRO CCOc1cc(NC(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000931901750 739349535 /nfs/dbraw/zinc/34/95/35/739349535.db2.gz CJPKAKDRLZVNLK-CQSZACIVSA-N 1 0 350.419 2.940 20 5 FFBDRO CCOc1cc(NC(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000931901748 739349579 /nfs/dbraw/zinc/34/95/79/739349579.db2.gz CJPKAKDRLZVNLK-AWEZNQCLSA-N 1 0 350.419 2.940 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CCC[C@@H]([NH+](C)C)CC1 ZINC000790279175 739432458 /nfs/dbraw/zinc/43/24/58/739432458.db2.gz ROVYHWINERXNEI-LLVKDONJSA-N 1 0 355.822 2.955 20 5 FFBDRO C[C@H]1CCCC[N@@H+]1CCNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000790543036 739467865 /nfs/dbraw/zinc/46/78/65/739467865.db2.gz OMBZVEKWQTXFBA-NSHDSACASA-N 1 0 357.813 2.920 20 5 FFBDRO C[C@H]1CCC[N@H+](CCNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000790544584 739468335 /nfs/dbraw/zinc/46/83/35/739468335.db2.gz ZTXWIKSHBUTVBQ-NSHDSACASA-N 1 0 357.813 2.778 20 5 FFBDRO CC[N@@H+]1C[C@H](C)N(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000790912658 739512270 /nfs/dbraw/zinc/51/22/70/739512270.db2.gz XXEXAOOPHYJDFG-MNOVXSKESA-N 1 0 357.813 2.871 20 5 FFBDRO CC(C)[NH+]1CCN(CCCOC(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000791868187 739611046 /nfs/dbraw/zinc/61/10/46/739611046.db2.gz AKAROCPJGQORIR-UHFFFAOYSA-N 1 0 369.849 2.821 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)CCc2cc(F)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000933437237 739625178 /nfs/dbraw/zinc/62/51/78/739625178.db2.gz BIVJOAIZXUVJAY-CZUORRHYSA-N 1 0 351.422 2.855 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@@H](Cc3nccs3)C2)c1 ZINC000934333680 739767103 /nfs/dbraw/zinc/76/71/03/739767103.db2.gz YTFLHVPVWUFNSL-LBPRGKRZSA-N 1 0 361.423 2.903 20 5 FFBDRO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000793607057 739799237 /nfs/dbraw/zinc/79/92/37/739799237.db2.gz ZVYFYGPJMRNDSW-LBPRGKRZSA-N 1 0 353.419 2.996 20 5 FFBDRO COC(=O)N1CCC([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000797520199 740253165 /nfs/dbraw/zinc/25/31/65/740253165.db2.gz JHEWFXBOOOVAKT-LBPRGKRZSA-N 1 0 351.403 2.560 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)CCCNC(=O)OC(C)(C)C ZINC000797520402 740253180 /nfs/dbraw/zinc/25/31/80/740253180.db2.gz XZQOPHMKSBKKSK-UHFFFAOYSA-N 1 0 353.419 2.950 20 5 FFBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(C)CCC[NH+]1CCCC1 ZINC000799174479 740396840 /nfs/dbraw/zinc/39/68/40/740396840.db2.gz IRIWVCHDPAAEGH-CYBMUJFWSA-N 1 0 368.865 2.993 20 5 FFBDRO CC[NH+](CC)CC1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 ZINC000801857640 740658535 /nfs/dbraw/zinc/65/85/35/740658535.db2.gz GHWBQHMEHQZBHC-UHFFFAOYSA-N 1 0 352.410 2.510 20 5 FFBDRO Cc1ccc(NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c([N+](=O)[O-])c1Br ZINC000804397635 740868982 /nfs/dbraw/zinc/86/89/82/740868982.db2.gz ZXWNVOBOFGMAEE-NWDGAFQWSA-N 1 0 370.247 2.941 20 5 FFBDRO O=C(O[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000810844734 741455276 /nfs/dbraw/zinc/45/52/76/741455276.db2.gz QOVDCCJGOABDMI-NEPJUHHUSA-N 1 0 356.325 2.980 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)OCCOc2ccccc2[N+](=O)[O-])C1 ZINC000811448751 741524110 /nfs/dbraw/zinc/52/41/10/741524110.db2.gz ZPTSTVYOXAKOOM-KRWDZBQOSA-N 1 0 354.378 2.729 20 5 FFBDRO C[C@H](C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])CN1CCOCC1 ZINC000811481431 741527932 /nfs/dbraw/zinc/52/79/32/741527932.db2.gz BBAFIILPFHCCCV-LLVKDONJSA-N 1 0 362.257 2.960 20 5 FFBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC000811601237 741541985 /nfs/dbraw/zinc/54/19/85/741541985.db2.gz SNGKPMFYPXDRHE-LLVKDONJSA-N 1 0 352.391 2.662 20 5 FFBDRO C[NH+](C)C1CCC(NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000817485560 742152770 /nfs/dbraw/zinc/15/27/70/742152770.db2.gz SVBIRENUASZRIF-UHFFFAOYSA-N 1 0 357.813 2.919 20 5 FFBDRO Cc1c(C(=O)N[C@](C)(C[NH3+])CC(C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000818518951 742275279 /nfs/dbraw/zinc/27/52/79/742275279.db2.gz AAAUOAYQCQAXPJ-INIZCTEOSA-N 1 0 352.391 2.613 20 5 FFBDRO C[C@H](COc1ccc(F)cc1F)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818974718 742318576 /nfs/dbraw/zinc/31/85/76/742318576.db2.gz PETLDSALZZXDQF-BDJLRTHQSA-N 1 0 352.337 2.964 20 5 FFBDRO CC(C)(C)OC(=O)NCC[C@H](O)C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000819150615 742344036 /nfs/dbraw/zinc/34/40/36/742344036.db2.gz QEKIOOVXHQBUST-ZDUSSCGKSA-N 1 0 373.837 2.614 20 5 FFBDRO CCC[N@@H+]1CC[C@H](NC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000822138808 742701901 /nfs/dbraw/zinc/70/19/01/742701901.db2.gz LKPCOTZBDRNDFP-NSHDSACASA-N 1 0 371.235 2.963 20 5 FFBDRO C[NH+](C)CCN(Cc1cccs1)C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823980252 743006532 /nfs/dbraw/zinc/00/65/32/743006532.db2.gz JTTZLAGUFWGLQJ-UHFFFAOYSA-N 1 0 363.443 2.834 20 5 FFBDRO C[N@@H+]1CC[C@H]2CN(C(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000827308977 743552944 /nfs/dbraw/zinc/55/29/44/743552944.db2.gz DTXHRFONAXZOLO-GWCFXTLKSA-N 1 0 357.332 2.780 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000827328399 743556076 /nfs/dbraw/zinc/55/60/76/743556076.db2.gz FBFVVMRUPXHCRM-OUCADQQQSA-N 1 0 367.833 2.568 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CC[N@@H+](C2CC2)C[C@@H](C)C1 ZINC000828264100 745049190 /nfs/dbraw/zinc/04/91/90/745049190.db2.gz XELPIPHPDORNLP-LLVKDONJSA-N 1 0 367.833 2.955 20 5 FFBDRO C[C@@H]1CN(CCO)CCN1c1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000829578191 745227749 /nfs/dbraw/zinc/22/77/49/745227749.db2.gz WPQWOKULKPDGSW-SECBINFHSA-N 1 0 367.755 2.770 20 5 FFBDRO O=C(C[NH2+][C@H]([C@@H](CO)C1CC1)C1CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000831651136 745561103 /nfs/dbraw/zinc/56/11/03/745561103.db2.gz ZOVZMYUCTAIMDN-GUYCJALGSA-N 1 0 367.833 2.573 20 5 FFBDRO CS[C@H]1CN(C(=O)c2cc(Cl)c(C)cc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000836779642 746304467 /nfs/dbraw/zinc/30/44/67/746304467.db2.gz ICDCPQXLMVTKIQ-KGLIPLIRSA-N 1 0 357.863 2.674 20 5 FFBDRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000841099184 747268849 /nfs/dbraw/zinc/26/88/49/747268849.db2.gz GVESTRXOAPKMBQ-WBVHZDCISA-N 1 0 353.850 2.967 20 5 FFBDRO C[C@@H](CNC(=O)N[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F)[NH+](C)C ZINC000841747297 747447657 /nfs/dbraw/zinc/44/76/57/747447657.db2.gz POVWTLNTMHBTDZ-UFBFGSQYSA-N 1 0 366.315 2.587 20 5 FFBDRO NC[C@@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C1CCCCC1 ZINC000842476465 747613181 /nfs/dbraw/zinc/61/31/81/747613181.db2.gz PDDSXWQJWBWLBN-MRXNPFEDSA-N 1 0 352.410 2.560 20 5 FFBDRO [NH3+][C@H]1CCO[C@@H](C2CCN(C(=O)c3cc([N+](=O)[O-])ccc3Cl)CC2)C1 ZINC000842510337 747623350 /nfs/dbraw/zinc/62/33/50/747623350.db2.gz QCLYRCHGVPDEAX-BLLLJJGKSA-N 1 0 367.833 2.607 20 5 FFBDRO Cc1cc(F)cc(C(=O)Nc2nc3c(s2)C[C@@H]([NH3+])CC3)c1[N+](=O)[O-] ZINC000843478155 747842819 /nfs/dbraw/zinc/84/28/19/747842819.db2.gz VLPYGMSAXKDCKG-VIFPVBQESA-N 1 0 350.375 2.567 20 5 FFBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000843480923 747843063 /nfs/dbraw/zinc/84/30/63/747843063.db2.gz ZCYRNPMKWWRZNY-BFHDXFOESA-N 1 0 374.210 2.613 20 5 FFBDRO COc1ccc(NC(=O)C[C@H]([NH3+])c2cc(C)nc(Cl)c2)cc1[N+](=O)[O-] ZINC000843486622 747844081 /nfs/dbraw/zinc/84/40/81/747844081.db2.gz XMKAOVRAZXMCKK-LBPRGKRZSA-N 1 0 364.789 2.989 20 5 FFBDRO Cc1c([N+](=O)[O-])cc(C(=O)NC[C@@H](CC(C)C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000843797100 747897010 /nfs/dbraw/zinc/89/70/10/747897010.db2.gz RVUBYGADMMMKAK-CYBMUJFWSA-N 1 0 352.391 2.518 20 5 FFBDRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])c(Cl)c3)C2)C1 ZINC000846686368 748524126 /nfs/dbraw/zinc/52/41/26/748524126.db2.gz GOTQIGHEUCYPIY-XJKCOSOUSA-N 1 0 367.833 2.607 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCn1cc(Br)cn1 ZINC000850469168 749369266 /nfs/dbraw/zinc/36/92/66/749369266.db2.gz MGZMDXPELGRJEQ-SNVBAGLBSA-N 1 0 369.219 2.913 20 5 FFBDRO CC(C)(C)OC(=O)N1CCC(CO)([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000852178101 749795561 /nfs/dbraw/zinc/79/55/61/749795561.db2.gz HRUDFYFTIZHPMX-UHFFFAOYSA-N 1 0 371.459 2.508 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(F)c(C(=O)NC2CC[NH+](C3CCC3)CC2)c1F ZINC000854854504 750380242 /nfs/dbraw/zinc/38/02/42/750380242.db2.gz YFUCPUVOPAUTHG-UHFFFAOYSA-N 1 0 353.369 2.928 20 5 FFBDRO C[C@@H]1CN(CCCNc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@H](C)O1 ZINC000486447154 887168895 /nfs/dbraw/zinc/16/88/95/887168895.db2.gz DYTBKXRCCYGVQR-CHWSQXEVSA-N 1 0 361.402 2.556 20 5 FFBDRO Cc1cc(N2CCC3(CCNC(=O)O3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000896303980 971402656 /nfs/dbraw/zinc/40/26/56/971402656.db2.gz IQLLKHZFUKBMDY-UHFFFAOYSA-N 1 0 356.382 2.920 20 5 FFBDRO CC(C)(C)[C@@H]1CSCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001573829430 949956351 /nfs/dbraw/zinc/95/63/51/949956351.db2.gz ZCYONLWYIQQOGU-AWEZNQCLSA-N 1 0 362.459 2.738 20 5 FFBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134929300 960375303 /nfs/dbraw/zinc/37/53/03/960375303.db2.gz NJYNWJUTOZPPFZ-SPYBWZPUSA-N 1 0 372.469 2.871 20 5 FFBDRO O=C(C[N@@H+]1CCC[C@@H](OC2CCC2)CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000872280818 1013198146 /nfs/dbraw/zinc/19/81/46/1013198146.db2.gz VJUSRDFJSNGZEI-GOSISDBHSA-N 1 0 373.453 2.908 20 5 FFBDRO CC[N@H+](Cc1ccc(C(=O)OCCn2ccc([N+](=O)[O-])n2)cc1)C(C)C ZINC000748121554 961500026 /nfs/dbraw/zinc/50/00/26/961500026.db2.gz RYJAKKIGTCLLLT-UHFFFAOYSA-N 1 0 360.414 2.879 20 5 FFBDRO Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)c3cc([N+](=O)[O-])cc(C)n3)C2)cc1 ZINC001174844351 1013323450 /nfs/dbraw/zinc/32/34/50/1013323450.db2.gz WOHCIMYDSNRFRL-MRXNPFEDSA-N 1 0 354.410 2.611 20 5 FFBDRO Cc1noc(CN(C[C@@H](O)COc2cccc(C)c2)C(C)C)c1[N+](=O)[O-] ZINC001167487297 964581876 /nfs/dbraw/zinc/58/18/76/964581876.db2.gz JMGQOPOLXPVHPT-OAHLLOKOSA-N 1 0 363.414 2.850 20 5 FFBDRO C[C@H]1C[C@H](C)N(C(=O)Nc2cc(N3CC[NH+](C)CC3)ccc2[N+](=O)[O-])C1 ZINC000934041987 965540686 /nfs/dbraw/zinc/54/06/86/965540686.db2.gz MUCNNJUBRZIJSY-KBPBESRZSA-N 1 0 361.446 2.609 20 5 FFBDRO Cn1nc2c(c1C[N@@H+]1CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C1)COCC2 ZINC000894719221 965630695 /nfs/dbraw/zinc/63/06/95/965630695.db2.gz NCDRBURTNROCSV-OAHLLOKOSA-N 1 0 356.426 2.781 20 5 FFBDRO COc1c(O)ccc(CNc2ccc(CN3CCOCC3)cc2)c1[N+](=O)[O-] ZINC000892318552 967134102 /nfs/dbraw/zinc/13/41/02/967134102.db2.gz RTTMESHJSONTQI-UHFFFAOYSA-N 1 0 373.409 2.753 20 5 FFBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NCC[N@@H+]1CCc2ccccc2C1 ZINC000255716210 968705274 /nfs/dbraw/zinc/70/52/74/968705274.db2.gz DQXHIADELVGICA-YFHOEESVSA-N 1 0 351.406 2.783 20 5 FFBDRO C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000895264496 968858498 /nfs/dbraw/zinc/85/84/98/968858498.db2.gz BKEHQQVHSDHTMV-ZOCIIQOWSA-N 1 0 366.421 2.831 20 5 FFBDRO O=C1C[C@H](Oc2ccc([N+](=O)[O-])cc2)N1CN1CC[C@H](CC(F)(F)F)C1 ZINC000840058495 969053822 /nfs/dbraw/zinc/05/38/22/969053822.db2.gz SSWISPDQHPPVEC-ABAIWWIYSA-N 1 0 373.331 2.764 20 5 FFBDRO N=c1cc(C[NH3+])ccn1-c1c2ccc(Br)cc2ncc1[N+](=O)[O-] ZINC001167689032 969160713 /nfs/dbraw/zinc/16/07/13/969160713.db2.gz DDWZXWOONLMHRX-UHFFFAOYSA-N 1 0 374.198 2.634 20 5 FFBDRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](c2cnn(C)c2)C1 ZINC000875054487 1013958766 /nfs/dbraw/zinc/95/87/66/1013958766.db2.gz UNRULVSPQBWPSS-ZWKOTPCHSA-N 1 0 371.441 2.781 20 5 FFBDRO COc1ccccc1N1CC[C@H]([NH2+]Cc2ccc(O)c(OC)c2[N+](=O)[O-])C1 ZINC000893111401 970610865 /nfs/dbraw/zinc/61/08/65/970610865.db2.gz RUVZZQCZEQYLMC-AWEZNQCLSA-N 1 0 373.409 2.686 20 5 FFBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cc4ccccc4c([N+](=O)[O-])c3N)CC[C@H]21 ZINC000897016385 973154877 /nfs/dbraw/zinc/15/48/77/973154877.db2.gz GRHSAGVYWSAMQL-WMLDXEAASA-N 1 0 368.437 2.887 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2csc(N3CC[C@@H]4[C@H]3CCC[N@H+]4CCO)n2)cc1 ZINC000897219825 973456961 /nfs/dbraw/zinc/45/69/61/973456961.db2.gz OSXYDZICGXNUBY-IAGOWNOFSA-N 1 0 374.466 2.754 20 5 FFBDRO C[Si](C)(C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC001167778363 974281297 /nfs/dbraw/zinc/28/12/97/974281297.db2.gz FCEQCRPIVCTGHX-OAHLLOKOSA-N 1 0 356.502 2.631 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000876943860 1014426849 /nfs/dbraw/zinc/42/68/49/1014426849.db2.gz HLNQGGOLJZJVJB-ZOBUZTSGSA-N 1 0 361.442 2.570 20 5 FFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]Cc3cccc(Cn4cccn4)c3)C2)c1 ZINC000876956239 1014433217 /nfs/dbraw/zinc/43/32/17/1014433217.db2.gz HNDDGIKREQUTAM-UHFFFAOYSA-N 1 0 352.398 2.529 20 5 FFBDRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000108302200 978459145 /nfs/dbraw/zinc/45/91/45/978459145.db2.gz XSADLBKDTCXPCO-INIZCTEOSA-N 1 0 372.469 2.799 20 5 FFBDRO CC(C)CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001105423251 979412244 /nfs/dbraw/zinc/41/22/44/979412244.db2.gz KQIJAEMAQVEEEO-MLYOOKFZSA-N 1 0 359.470 2.504 20 5 FFBDRO C[C@H]1CCCCN1CC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000237514079 979626231 /nfs/dbraw/zinc/62/62/31/979626231.db2.gz RIGALRDUMLAMBL-HNNXBMFYSA-N 1 0 357.458 2.959 20 5 FFBDRO C[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[C@H](O)c1ccccc1 ZINC000877535175 1014617240 /nfs/dbraw/zinc/61/72/40/1014617240.db2.gz KBZRNPNODAFWQK-KUHUBIRLSA-N 1 0 356.426 2.670 20 5 FFBDRO O=C(C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)N1CCCCc2ccccc21 ZINC000905607647 980470090 /nfs/dbraw/zinc/47/00/90/980470090.db2.gz LAHFYISRYVRYFV-LJQANCHMSA-N 1 0 369.421 2.587 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CC[C@H]2OCCc3ccccc32)c1 ZINC000905627331 980475481 /nfs/dbraw/zinc/47/54/81/980475481.db2.gz YYPCPVQSSJQSLU-FXAWDEMLSA-N 1 0 372.421 2.628 20 5 FFBDRO COC(=O)C[C@@H]1C[N@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C[C@H]1C ZINC000905712364 980494080 /nfs/dbraw/zinc/49/40/80/980494080.db2.gz PDAJJHXUDIXKHT-UKRRQHHQSA-N 1 0 358.398 2.547 20 5 FFBDRO C[NH+](C)[C@@H]1CCN(Cc2ccc(-c3cc([N+](=O)[O-])ccc3CO)cc2)C1 ZINC000906173117 980590215 /nfs/dbraw/zinc/59/02/15/980590215.db2.gz YNTVVWPAXXOKLB-LJQANCHMSA-N 1 0 355.438 2.890 20 5 FFBDRO CN1Cc2ccccc2[C@@H]1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000877733473 1014702490 /nfs/dbraw/zinc/70/24/90/1014702490.db2.gz SQHDIWIMAVKVKL-IBGZPJMESA-N 1 0 367.453 2.735 20 5 FFBDRO CONC(=O)C1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000877786572 1014728654 /nfs/dbraw/zinc/72/86/54/1014728654.db2.gz OMROAKMIPMGWMC-UHFFFAOYSA-N 1 0 359.382 2.744 20 5 FFBDRO Cn1ccnc1[C@H](NC[C@H]1CC[C@H](C2CC2)O1)c1cccc([N+](=O)[O-])c1 ZINC000897509980 981374348 /nfs/dbraw/zinc/37/43/48/981374348.db2.gz HXCYMOSEOGPSOU-KZNAEPCWSA-N 1 0 356.426 2.965 20 5 FFBDRO CC(=Cc1cccc([N+](=O)[O-])c1)C[NH+]1CCC(CN2CCNC2=O)CC1 ZINC000897582699 982330601 /nfs/dbraw/zinc/33/06/01/982330601.db2.gz HHWXQQIWQGVJEW-PTNGSMBKSA-N 1 0 358.442 2.735 20 5 FFBDRO Nc1ccc(C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000030231920 982706308 /nfs/dbraw/zinc/70/63/08/982706308.db2.gz QCGRKWLUWXEPEF-KRWDZBQOSA-N 1 0 354.410 2.744 20 5 FFBDRO O=[N+]([O-])c1ccccc1-c1nnc(CN2CC[C@@H](C[NH+]3CCCCC3)C2)o1 ZINC000878132881 1014876224 /nfs/dbraw/zinc/87/62/24/1014876224.db2.gz DKTHKSLACWBEKA-HNNXBMFYSA-N 1 0 371.441 2.953 20 5 FFBDRO O=C([C@@H]1CC[C@H]2CCCC[C@H]2[NH2+]1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000911973176 983929641 /nfs/dbraw/zinc/92/96/41/983929641.db2.gz GXXKZSPHSFRPFU-LZQZEXGQSA-N 1 0 372.469 2.554 20 5 FFBDRO O=C(C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)NCc1ccccc1 ZINC000765384405 985065083 /nfs/dbraw/zinc/06/50/83/985065083.db2.gz YERWWLAWWZGHTF-GOSISDBHSA-N 1 0 353.422 2.822 20 5 FFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCN1CCc2ccccc21 ZINC000765417039 985079162 /nfs/dbraw/zinc/07/91/62/985079162.db2.gz QPNUSNLTGDMHTO-OAHLLOKOSA-N 1 0 368.437 2.964 20 5 FFBDRO COC(=O)Cc1ccc(N2C[C@H](CC[NH3+])c3ccccc32)cc1[N+](=O)[O-] ZINC001168549373 985238289 /nfs/dbraw/zinc/23/82/89/985238289.db2.gz TZVYNSLZBDBJQX-AWEZNQCLSA-N 1 0 355.394 2.894 20 5 FFBDRO Cc1cn(C[N@@H+](C)C(C2CC2)C2CC2)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000171559574 985312173 /nfs/dbraw/zinc/31/21/73/985312173.db2.gz METGUGSKLCSEHQ-UHFFFAOYSA-N 1 0 356.426 2.934 20 5 FFBDRO C[C@H]1CCC[C@](CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)([NH+](C)C)C1 ZINC000063802976 986075574 /nfs/dbraw/zinc/07/55/74/986075574.db2.gz CYGSTSVINJPGKY-SJCJKPOMSA-N 1 0 364.402 2.743 20 5 FFBDRO C/C(=C/C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000762612340 988512571 /nfs/dbraw/zinc/51/25/71/988512571.db2.gz KSQLXDAWSVRMPA-KGAUPUERSA-N 1 0 361.442 2.615 20 5 FFBDRO CC[C@H](CO)[NH2+][C@@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000915875552 989161083 /nfs/dbraw/zinc/16/10/83/989161083.db2.gz QSJPQSWFCZWMSF-CRAIPNDOSA-N 1 0 357.410 2.944 20 5 FFBDRO C[N@@H+]1CCN(Cn2ncc3ccc([N+](=O)[O-])cc32)[C@@H](c2ccccc2)C1 ZINC000917462499 990220367 /nfs/dbraw/zinc/22/03/67/990220367.db2.gz GXBXVUBIHFYJHJ-LJQANCHMSA-N 1 0 351.410 2.891 20 5 FFBDRO Cc1ccc(F)cc1C[NH2+]Cc1ccc(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001034815977 990275262 /nfs/dbraw/zinc/27/52/62/990275262.db2.gz HQOGUQUVUNBHEC-RTBURBONSA-N 1 0 371.412 2.705 20 5 FFBDRO COc1cccc(C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1[N+](=O)[O-] ZINC000194844374 990590702 /nfs/dbraw/zinc/59/07/02/990590702.db2.gz FODHMQFWOKRBOQ-KBPBESRZSA-N 1 0 361.442 2.986 20 5 FFBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000919877935 990752711 /nfs/dbraw/zinc/75/27/11/990752711.db2.gz QOHUWSFDJGMABG-QLFBSQMISA-N 1 0 362.474 2.757 20 5 FFBDRO Cc1ccc(NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)c(OCC[NH+](C)C)c1 ZINC000826122498 1015665828 /nfs/dbraw/zinc/66/58/28/1015665828.db2.gz ZDINQZCYUWXSDM-GOSISDBHSA-N 1 0 373.409 2.516 20 5 FFBDRO Cc1cncc([C@@H]2CCC[N@@H+]2C[C@@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000879750345 1015664519 /nfs/dbraw/zinc/66/45/19/1015664519.db2.gz TUJGKQFAKNHLFA-SJORKVTESA-N 1 0 357.410 2.875 20 5 FFBDRO CCCc1ccc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1 ZINC000940107358 991933614 /nfs/dbraw/zinc/93/36/14/991933614.db2.gz JWZXIQZCVWCIMW-QZTJIDSGSA-N 1 0 359.470 2.775 20 5 FFBDRO C[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000880080282 1015750088 /nfs/dbraw/zinc/75/00/88/1015750088.db2.gz RCHPXTBTEZTZPP-QZTJIDSGSA-N 1 0 371.393 2.585 20 5 FFBDRO CCOc1cc(C[NH2+][C@@]2(CO)CCc3c2cccc3OC)ccc1[N+](=O)[O-] ZINC000880384571 1015823700 /nfs/dbraw/zinc/82/37/00/1015823700.db2.gz SCWWOSWUKSOOFB-HXUWFJFHSA-N 1 0 372.421 2.926 20 5 FFBDRO O=C(O[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000810842141 994949919 /nfs/dbraw/zinc/94/99/19/994949919.db2.gz SSPORWHEYPVCOI-XJKSGUPXSA-N 1 0 356.382 2.564 20 5 FFBDRO O=C(O[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000810844089 994951326 /nfs/dbraw/zinc/95/13/26/994951326.db2.gz ZZGGYGNEJDKQIM-CABCVRRESA-N 1 0 356.382 2.564 20 5 FFBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)C[C@@H]2C1 ZINC000812322520 995405460 /nfs/dbraw/zinc/40/54/60/995405460.db2.gz IUCFXTSVDHGKHZ-CVEARBPZSA-N 1 0 361.445 2.705 20 5 FFBDRO O=C(NCc1ccc2c(c1)C[N@@H+](CC1=CCCCC1)C2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001054264537 1015996204 /nfs/dbraw/zinc/99/62/04/1015996204.db2.gz JCEAESXSLGMDST-RTBURBONSA-N 1 0 355.438 2.784 20 5 FFBDRO C[C@H](CNC(=O)Nc1ccc(N)c([N+](=O)[O-])c1)[N@H+](C)Cc1ccccc1 ZINC000823994013 996773851 /nfs/dbraw/zinc/77/38/51/996773851.db2.gz NBMYQENUGKWEOB-CYBMUJFWSA-N 1 0 357.414 2.819 20 5 FFBDRO Nc1ccc(NC(=O)NCCC[N@@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000824002720 996775326 /nfs/dbraw/zinc/77/53/26/996775326.db2.gz FYGYNOXWHPLXRQ-UHFFFAOYSA-N 1 0 369.425 2.747 20 5 FFBDRO COc1ccc(C2CC[NH+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)CC2)nc1 ZINC000844351329 997820366 /nfs/dbraw/zinc/82/03/66/997820366.db2.gz NIMRDXUBHVEKTE-LJQANCHMSA-N 1 0 357.410 2.911 20 5 FFBDRO Cc1cc([N+](=O)[O-])nn1Cc1cccc(-c2nc([C@@H]3CCC[NH2+]C3)no2)c1 ZINC000844689251 998060341 /nfs/dbraw/zinc/06/03/41/998060341.db2.gz KWADNVGWDGBZEH-OAHLLOKOSA-N 1 0 368.397 2.665 20 5 FFBDRO COc1cc2c(cc1C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)O[C@H](C)C2 ZINC000731678715 998143615 /nfs/dbraw/zinc/14/36/15/998143615.db2.gz ONTXIOMBXRQUCY-PXAZEXFGSA-N 1 0 358.394 2.750 20 5 FFBDRO CN(C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000732166296 998497426 /nfs/dbraw/zinc/49/74/26/998497426.db2.gz NRMHEVQSESECQZ-MRXNPFEDSA-N 1 0 358.442 2.504 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@@H]1COC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000845735435 998641989 /nfs/dbraw/zinc/64/19/89/998641989.db2.gz XKSWZXMXBVWZNW-CYBMUJFWSA-N 1 0 358.398 2.810 20 5 FFBDRO O=[N+]([O-])c1ccnn1CN1CC[NH+](CCC23CC4CC(CC(C4)C2)C3)CC1 ZINC000732670862 998738800 /nfs/dbraw/zinc/73/88/00/998738800.db2.gz MTSVFLGTHHVGOB-UHFFFAOYSA-N 1 0 373.501 2.973 20 5 FFBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000741255621 999716875 /nfs/dbraw/zinc/71/68/75/999716875.db2.gz HOUHEVLPMAGQGA-UZLBHIALSA-N 1 0 355.438 2.974 20 5 FFBDRO CC[N@H+](CN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O)[C@H](C)C(C)C ZINC000742557530 999778254 /nfs/dbraw/zinc/77/82/54/999778254.db2.gz ZNKFCASBQFTZHJ-ACJLOTCBSA-N 1 0 362.430 2.686 20 5 FFBDRO [NH3+]Cc1cccc(-c2nnn(-c3cc4cccnc4c4ncccc34)n2)c1 ZINC001168887159 1000007011 /nfs/dbraw/zinc/00/70/11/1000007011.db2.gz COYVYDKAUXUQQZ-UHFFFAOYSA-N 1 0 353.389 2.884 20 5 FFBDRO CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C[NH2+][C@H]3CC[C@H](C[N+](=O)[O-])C3)CC[C@@H]2C1 ZINC001168965016 1000013223 /nfs/dbraw/zinc/01/32/23/1000013223.db2.gz XHSLQULTXSRVMA-ZOFXXKQRSA-N 1 0 367.490 2.915 20 5 FFBDRO CC(C)(C)OC(=O)N1CC([C@H]([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)C2CC2)C1 ZINC001169006658 1000015095 /nfs/dbraw/zinc/01/50/95/1000015095.db2.gz IVCNOWONGHYGDI-VBNZEHGJSA-N 1 0 353.463 2.667 20 5 FFBDRO CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CC[C@H]1C[N@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169036011 1000016651 /nfs/dbraw/zinc/01/66/51/1000016651.db2.gz FCQMIMYBBKZDQW-IBEHDNSVSA-N 1 0 353.463 2.667 20 5 FFBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2CCCn3cnc(COc4cccnc4)c3C2)C1 ZINC001169018395 1000017343 /nfs/dbraw/zinc/01/73/43/1000017343.db2.gz AYLRYSOYPLOASX-JKSUJKDBSA-N 1 0 371.441 2.508 20 5 FFBDRO O=C1C[C@]2(CC[N@@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C2)CN1c1ccc(F)cc1 ZINC001169021544 1000017439 /nfs/dbraw/zinc/01/74/39/1000017439.db2.gz OWOZMSOXPPDABE-FNHZYXHNSA-N 1 0 361.417 2.700 20 5 FFBDRO CC(C)(C)OC(=O)N[C@@H]1C[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCC1(F)F ZINC001169046381 1000018473 /nfs/dbraw/zinc/01/84/73/1000018473.db2.gz LNWLJXXPSAKAPE-YNEHKIRRSA-N 1 0 363.405 2.666 20 5 FFBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@H](Oc3cc(C(F)(F)F)ncn3)C2)C1 ZINC001169053588 1000019075 /nfs/dbraw/zinc/01/90/75/1000019075.db2.gz JCZJIHQAQVXYIL-UPJWGTAASA-N 1 0 374.363 2.784 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])c(Cl)cc1-n1cc(CC[NH3+])c2ncccc21 ZINC001169708770 1000071084 /nfs/dbraw/zinc/07/10/84/1000071084.db2.gz DTCMHKOSGKFJGF-UHFFFAOYSA-N 1 0 374.784 2.875 20 5 FFBDRO CCC[C@H]1CN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1CCOC ZINC000767122670 1000100177 /nfs/dbraw/zinc/10/01/77/1000100177.db2.gz HVFPVNIGLGZRAR-VOCYLRNQSA-N 1 0 361.442 2.567 20 5 FFBDRO O=C([C@@H]1CCC[N@H+](Cc2cccnc2)C1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001116135891 1032147614 /nfs/dbraw/zinc/14/76/14/1032147614.db2.gz OBDZMMVZGPMGCD-QGZVFWFLSA-N 1 0 366.421 2.744 20 5 FFBDRO CC[C@@H]([NH2+]CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[C@@H]1CC1(C)C ZINC001171285912 1000761112 /nfs/dbraw/zinc/76/11/12/1000761112.db2.gz FXMUBBFKMWIOJB-ZWKOTPCHSA-N 1 0 374.485 2.658 20 5 FFBDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC001147162867 1000836912 /nfs/dbraw/zinc/83/69/12/1000836912.db2.gz DGHGLIWHNNMARG-ZDUSSCGKSA-N 1 0 353.850 2.981 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)CN2CCC[C@@H](Oc3ncccc3F)C2)cc1 ZINC000785841258 1001492162 /nfs/dbraw/zinc/49/21/62/1001492162.db2.gz QTPRTXSGJQCJGO-WBVHZDCISA-N 1 0 361.373 2.706 20 5 FFBDRO O=C(CC[N@@H+]1CCc2ccccc2C1)OCC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000786828720 1001628000 /nfs/dbraw/zinc/62/80/00/1001628000.db2.gz ZCPSNXIAIFYGQG-UHFFFAOYSA-N 1 0 368.389 2.769 20 5 FFBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CCC3(C[NH+](C)C3)C2)CC1 ZINC000788202421 1001771752 /nfs/dbraw/zinc/77/17/52/1001771752.db2.gz ATHZGXQVTQXDBV-UHFFFAOYSA-N 1 0 372.469 2.609 20 5 FFBDRO CS(=O)(=O)N(CC[NH3+])C(=O)CCc1c2ccccc2cc2ccccc21 ZINC001182411531 1001827284 /nfs/dbraw/zinc/82/72/84/1001827284.db2.gz YTXRSEMDHZENFO-UHFFFAOYSA-N 1 0 370.474 2.673 20 5 FFBDRO COc1cc(NCC[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc(OC)c1 ZINC000788673930 1001840532 /nfs/dbraw/zinc/84/05/32/1001840532.db2.gz ZDHSLEGLBRAMQA-GFCCVEGCSA-N 1 0 360.414 2.957 20 5 FFBDRO C[C@H]([NH2+]C[C@@H](CO)Cc1ccc(F)c(F)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788776732 1001873457 /nfs/dbraw/zinc/87/34/57/1001873457.db2.gz MIQPLOVWYSQWFI-AAEUAGOBSA-N 1 0 365.380 2.957 20 5 FFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC000774398407 1001897560 /nfs/dbraw/zinc/89/75/60/1001897560.db2.gz ICKQGNSZUAQQIQ-YVEFUNNKSA-N 1 0 361.373 2.774 20 5 FFBDRO CC(C)(O)CN1CC[C@H]([NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC001183268577 1002220746 /nfs/dbraw/zinc/22/07/46/1002220746.db2.gz HMNFEZKWSGUWPN-RYQLBKOJSA-N 1 0 361.486 2.741 20 5 FFBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)C1 ZINC000791222579 1002611411 /nfs/dbraw/zinc/61/14/11/1002611411.db2.gz WNIKEWCJPQRGGO-ZDUSSCGKSA-N 1 0 366.437 2.508 20 5 FFBDRO O=[N+]([O-])c1cnc(NCCCN2CC[NH+](Cc3ccccc3)CC2)c(F)c1 ZINC001184681055 1002699420 /nfs/dbraw/zinc/69/94/20/1002699420.db2.gz IUJDGNAFLAVCGU-UHFFFAOYSA-N 1 0 373.432 2.749 20 5 FFBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2nnc3cc(C)ccn32)c([N+](=O)[O-])c1 ZINC001170299741 1003091757 /nfs/dbraw/zinc/09/17/57/1003091757.db2.gz VZZUOLKXOMBBEZ-CYBMUJFWSA-N 1 0 355.398 2.675 20 5 FFBDRO COc1ccc(C[C@@H](C)[NH2+]CCC(=O)NCc2ccccc2)c([N+](=O)[O-])c1 ZINC001170305802 1003094594 /nfs/dbraw/zinc/09/45/94/1003094594.db2.gz PVUABNSNPLJMQV-OAHLLOKOSA-N 1 0 371.437 2.831 20 5 FFBDRO COc1ccc(C[C@@H](C)[NH2+]CCNC(=O)c2cccs2)c([N+](=O)[O-])c1 ZINC001170326542 1003112903 /nfs/dbraw/zinc/11/29/03/1003112903.db2.gz MDSIYQMXACDRCI-GFCCVEGCSA-N 1 0 363.439 2.616 20 5 FFBDRO COc1ccc(C[C@@H](C)[NH2+]C2CCN(c3ccncn3)CC2)c([N+](=O)[O-])c1 ZINC001170327386 1003114590 /nfs/dbraw/zinc/11/45/90/1003114590.db2.gz QFOSPLONFGCOEF-CQSZACIVSA-N 1 0 371.441 2.583 20 5 FFBDRO COc1ccc(C[C@H](C)[NH+]2CCC(O)(C(F)(F)F)CC2)c([N+](=O)[O-])c1 ZINC001170330361 1003116045 /nfs/dbraw/zinc/11/60/45/1003116045.db2.gz ZYUJGBYSCMEZIJ-NSHDSACASA-N 1 0 362.348 2.924 20 5 FFBDRO COc1ccc(C[C@@H](C)[N@@H+]2CC[C@@H](Oc3ncncc3C)C2)c([N+](=O)[O-])c1 ZINC001170355007 1003122332 /nfs/dbraw/zinc/12/23/32/1003122332.db2.gz UIAJYXLOWWALAS-RHSMWYFYSA-N 1 0 372.425 2.786 20 5 FFBDRO COc1ccc(C[C@H](C)[NH+]2CCC(N3CC(F)(F)C3)CC2)c([N+](=O)[O-])c1 ZINC001170346628 1003134211 /nfs/dbraw/zinc/13/42/11/1003134211.db2.gz OWCLOHDQVXTLBJ-ZDUSSCGKSA-N 1 0 369.412 2.950 20 5 FFBDRO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)Nc1ccc(N)cc1[N+](=O)[O-] ZINC000804499584 1003704765 /nfs/dbraw/zinc/70/47/65/1003704765.db2.gz FCXRWZAAIANYHY-OAHLLOKOSA-N 1 0 355.442 2.800 20 5 FFBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1c1ccc([N+](=O)[O-])cc1C(=O)NC1CC1 ZINC000804813936 1003859474 /nfs/dbraw/zinc/85/94/74/1003859474.db2.gz WIUWZMCVDNSNOH-BBRMVZONSA-N 1 0 358.442 2.550 20 5 FFBDRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000804870140 1003880487 /nfs/dbraw/zinc/88/04/87/1003880487.db2.gz QTRLEGMNXKMWMH-UHFFFAOYSA-N 1 0 364.377 2.503 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH+]2CCC(O)(Cc3ccc(F)cc3)CC2)cc1 ZINC000775742401 1003936250 /nfs/dbraw/zinc/93/62/50/1003936250.db2.gz SYLLOESJQKMBQD-LJQANCHMSA-N 1 0 374.412 2.837 20 5 FFBDRO CCOc1ccc(NC(=O)C[NH2+][C@H](CC)[C@H]2CCCOC2)c([N+](=O)[O-])c1 ZINC001197255482 1004144485 /nfs/dbraw/zinc/14/44/85/1004144485.db2.gz KGNQRUHIOYAKTD-DZGCQCFKSA-N 1 0 365.430 2.727 20 5 FFBDRO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@@H+](CC4(O)CCCCC4)CC3)nc2c1 ZINC000775672077 1005046000 /nfs/dbraw/zinc/04/60/00/1005046000.db2.gz DEHFGEKUNDQQBZ-UHFFFAOYSA-N 1 0 373.457 2.678 20 5 FFBDRO O=C(c1ccccc1)N1CCC([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776276524 1005343073 /nfs/dbraw/zinc/34/30/73/1005343073.db2.gz NNHOWMPSGHGVNL-LJQANCHMSA-N 1 0 369.421 2.523 20 5 FFBDRO CC[N@@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)C1 ZINC000107894131 1005554425 /nfs/dbraw/zinc/55/44/25/1005554425.db2.gz MGKLOQDJGGBLPS-MRXNPFEDSA-N 1 0 374.485 2.903 20 5 FFBDRO CC(C)(C)N1C[C@@H](C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1=O ZINC000850555929 1005822187 /nfs/dbraw/zinc/82/21/87/1005822187.db2.gz JZIXSVUZFYRHHJ-OAHLLOKOSA-N 1 0 374.485 2.800 20 5 FFBDRO COC(=O)[C@H](C)[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000776591435 1006006597 /nfs/dbraw/zinc/00/65/97/1006006597.db2.gz MHOGRPMFEABMCZ-XWIAVFTESA-N 1 0 358.394 2.768 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC[N@H+](Cc3ccccc3)CCOCC2)cn1 ZINC001187740111 1006227470 /nfs/dbraw/zinc/22/74/70/1006227470.db2.gz YKJCIESSDVYHBN-UHFFFAOYSA-N 1 0 356.426 2.719 20 5 FFBDRO CC(=O)c1c(NCc2cccnc2N2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000881854291 1006243951 /nfs/dbraw/zinc/24/39/51/1006243951.db2.gz ZYRUJIBTBLCDRH-UHFFFAOYSA-N 1 0 369.425 2.556 20 5 FFBDRO Cn1ncc([N+](=O)[O-])c1-c1nc(-c2ncccc2/C=C/[NH+]2CCCC2)no1 ZINC001212787744 1006249690 /nfs/dbraw/zinc/24/96/90/1006249690.db2.gz AQEMNJZFJPHCQA-UXBLZVDNSA-N 1 0 367.369 2.507 20 5 FFBDRO CC(C)(C)OC(=O)[C@H](C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000853133604 1006308671 /nfs/dbraw/zinc/30/86/71/1006308671.db2.gz LROYIVFXMUMBSL-SJORKVTESA-N 1 0 364.442 2.976 20 5 FFBDRO O=[N+]([O-])c1cn(CN2CCC[C@@H]2C[NH+]2CCCCC2)nc1-c1ccccn1 ZINC000853496715 1006413663 /nfs/dbraw/zinc/41/36/63/1006413663.db2.gz JQXAAJCGPZQZPO-MRXNPFEDSA-N 1 0 370.457 2.761 20 5 FFBDRO CCN1CCCC[C@@H]1C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000111392602 1006427046 /nfs/dbraw/zinc/42/70/46/1006427046.db2.gz FSSVGRGMWKJEJA-GOSISDBHSA-N 1 0 357.458 2.959 20 5 FFBDRO CCC(=O)c1ccc(N2CCC(CO)([NH2+]CC(C)C)CC2)c([N+](=O)[O-])c1 ZINC000853660969 1006496845 /nfs/dbraw/zinc/49/68/45/1006496845.db2.gz MTEJRVGVXQRVBH-UHFFFAOYSA-N 1 0 363.458 2.764 20 5 FFBDRO C[C@H](c1ccccc1)[NH+]1CCN(c2c(C(N)=O)cccc2[N+](=O)[O-])CC1 ZINC000882810276 1006513139 /nfs/dbraw/zinc/51/31/39/1006513139.db2.gz CAZUUYIAPGKFPF-CQSZACIVSA-N 1 0 354.410 2.577 20 5 FFBDRO Cc1cccc(C)c1OC[C@H](O)C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815565624 1006686279 /nfs/dbraw/zinc/68/62/79/1006686279.db2.gz VIVFPYIFZJFEDW-GOEBONIOSA-N 1 0 359.426 2.884 20 5 FFBDRO COc1cc(CN2CC[NH2+]CCC23CCC3)c([N+](=O)[O-])cc1OC(F)F ZINC000883457805 1006801308 /nfs/dbraw/zinc/80/13/08/1006801308.db2.gz NYXJGMHONWJABL-UHFFFAOYSA-N 1 0 371.384 2.923 20 5 FFBDRO Cc1nn(C[N@@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000776765911 1007035710 /nfs/dbraw/zinc/03/57/10/1007035710.db2.gz MNTPIRWTBALIBA-IBGZPJMESA-N 1 0 370.384 2.943 20 5 FFBDRO Cc1c(C(=O)NCc2ccccc2C[NH+](C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000009917235 1007067501 /nfs/dbraw/zinc/06/75/01/1007067501.db2.gz CYXUHJNUHOMZIV-UHFFFAOYSA-N 1 0 372.381 2.803 20 5 FFBDRO CC(C)[NH+]1CCC(NC(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)CC1 ZINC001135652930 1007143598 /nfs/dbraw/zinc/14/35/98/1007143598.db2.gz VWBMBNIIPQLZLL-UHFFFAOYSA-N 1 0 356.426 2.933 20 5 FFBDRO CCc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2N)[NH+](C)C)cc1 ZINC001135928785 1007611946 /nfs/dbraw/zinc/61/19/46/1007611946.db2.gz DJYDQVGHXUCUOS-GOSISDBHSA-N 1 0 356.426 2.772 20 5 FFBDRO C[NH+](C)C1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CC1 ZINC000817659060 1007690567 /nfs/dbraw/zinc/69/05/67/1007690567.db2.gz NRYVVCSJOAMRLK-UHFFFAOYSA-N 1 0 360.458 2.798 20 5 FFBDRO COc1cccc(N2CC[C@@H]([NH2+]C[C@H](O)c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000819012088 1008022400 /nfs/dbraw/zinc/02/24/00/1008022400.db2.gz HJBHXQYJYQNHGX-BEFAXECRSA-N 1 0 357.410 2.505 20 5 FFBDRO COc1ccc(C[C@@H](C)[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000819034951 1008027630 /nfs/dbraw/zinc/02/76/30/1008027630.db2.gz SRERCSHBXBMFRY-CXAGYDPISA-N 1 0 360.410 2.866 20 5 FFBDRO COc1cccc(N2CCC[C@@H]([NH2+]C[C@H](O)c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000819082062 1008029721 /nfs/dbraw/zinc/02/97/21/1008029721.db2.gz PPDPKJBOQKXVLV-UZLBHIALSA-N 1 0 371.437 2.895 20 5 FFBDRO O=C1[C@@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CCCN1C1CCCCC1 ZINC000819253527 1008070912 /nfs/dbraw/zinc/07/09/12/1008070912.db2.gz GNJAKCKZQWNLFQ-ROUUACIJSA-N 1 0 361.442 2.542 20 5 FFBDRO CCN(C(=O)OC(C)(C)C)[C@H](C)C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819274308 1008097800 /nfs/dbraw/zinc/09/78/00/1008097800.db2.gz HMVLEFBURKAPFH-CZUORRHYSA-N 1 0 367.446 2.863 20 5 FFBDRO CSc1ccc([C@@H](CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)[NH+](C)C)cc1 ZINC000819336879 1008101437 /nfs/dbraw/zinc/10/14/37/1008101437.db2.gz XGAGHPJFGXBBKS-QGZVFWFLSA-N 1 0 374.466 2.932 20 5 FFBDRO Cc1ccc(NC[C@H](O)c2cccc([N+](=O)[O-])c2)c(OCC[NH+](C)C)c1 ZINC000819446036 1008134590 /nfs/dbraw/zinc/13/45/90/1008134590.db2.gz XTUQBOSRSWAQOE-SFHVURJKSA-N 1 0 359.426 2.989 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)CNc2ccc(CC[NH+]3CCOCC3)cc2)cc1 ZINC000819422441 1008145637 /nfs/dbraw/zinc/14/56/37/1008145637.db2.gz WMYGADYJJXBWLF-HXUWFJFHSA-N 1 0 371.437 2.615 20 5 FFBDRO O=C(N1CCC([C@@H]2CCC[NH2+]2)CC1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857763332 1008203913 /nfs/dbraw/zinc/20/39/13/1008203913.db2.gz XTMXNFPLEHMZKQ-HNNXBMFYSA-N 1 0 369.368 2.557 20 5 FFBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2N)C1 ZINC001136409076 1008407375 /nfs/dbraw/zinc/40/73/75/1008407375.db2.gz IOZTWRRHNUFPHM-UKRRQHHQSA-N 1 0 354.410 2.742 20 5 FFBDRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000859222809 1008489854 /nfs/dbraw/zinc/48/98/54/1008489854.db2.gz MZHDIKIADOQORM-QGZVFWFLSA-N 1 0 371.437 2.931 20 5 FFBDRO C[NH+](C)Cc1ccc(NC(=O)c2c[nH]nc2[N+](=O)[O-])cc1C(F)(F)F ZINC001177616347 1008681147 /nfs/dbraw/zinc/68/11/47/1008681147.db2.gz PZTBFNPSKOCTMT-UHFFFAOYSA-N 1 0 357.292 2.651 20 5 FFBDRO O=[N+]([O-])c1ncccc1CN1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000886647989 1008793996 /nfs/dbraw/zinc/79/39/96/1008793996.db2.gz IKUIOSLVRVNCSI-PKOBYXMFSA-N 1 0 352.438 2.944 20 5 FFBDRO O=C(NCCCCCC[NH2+]Cc1ccc(Cl)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001178458378 1008995332 /nfs/dbraw/zinc/99/53/32/1008995332.db2.gz DQXZRJUHGZXMLH-HZPDHXFCSA-N 1 0 353.850 2.771 20 5 FFBDRO CN1CCN(C(=O)c2cc3ccccc3c3cccnc23)CC[N@H+](C)CC1 ZINC000888995449 1009788446 /nfs/dbraw/zinc/78/84/46/1009788446.db2.gz OVAITYOPVLTKPN-UHFFFAOYSA-N 1 0 362.477 2.707 20 5 FFBDRO CCCN(C(=O)c1n[nH]cc1[N+](=O)[O-])C1CC[NH+](Cc2ccccc2)CC1 ZINC000889489372 1009990532 /nfs/dbraw/zinc/99/05/32/1009990532.db2.gz HGLQTEIVJYHKEJ-UHFFFAOYSA-N 1 0 371.441 2.835 20 5 FFBDRO CC(C)[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H](O)c1ccccc1 ZINC000794609410 1010440706 /nfs/dbraw/zinc/44/07/06/1010440706.db2.gz ZKARYWCXEJPZLV-IHPCNDPISA-N 1 0 374.437 2.682 20 5 FFBDRO C[NH+]1CCN(c2ccccc2NC(=O)Cc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000864681832 1010554211 /nfs/dbraw/zinc/55/42/11/1010554211.db2.gz MJGONLLQVCVWMS-UHFFFAOYSA-N 1 0 372.400 2.667 20 5 FFBDRO COc1ccc(C[NH+](C)C)cc1NC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000864847427 1010597823 /nfs/dbraw/zinc/59/78/23/1010597823.db2.gz QJQVQOFWWAXSGO-UHFFFAOYSA-N 1 0 361.373 2.985 20 5 FFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1 ZINC000866399205 1010987580 /nfs/dbraw/zinc/98/75/80/1010987580.db2.gz UNEDPZKPCXKWNA-MZKGEVEHSA-N 1 0 361.373 2.885 20 5 FFBDRO C[C@H](C[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)CC1(C)OCCO1 ZINC000866427155 1010992056 /nfs/dbraw/zinc/99/20/56/1010992056.db2.gz IZXNPYYLLVJURJ-YOEHRIQHSA-N 1 0 374.441 2.797 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1ccnc(-n3cncn3)c1)CCC2 ZINC000866433031 1010994223 /nfs/dbraw/zinc/99/42/23/1010994223.db2.gz HEWZOZWBFMAHCT-KRWDZBQOSA-N 1 0 350.382 2.738 20 5 FFBDRO O=C1NCCN1Cc1ccc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000866577429 1011019497 /nfs/dbraw/zinc/01/94/97/1011019497.db2.gz OOHKYNHCUCJVMM-GOSISDBHSA-N 1 0 366.421 2.897 20 5 FFBDRO C[NH+](C)C[C@@H]1CN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])c2ccccc2O1 ZINC000866620324 1011024145 /nfs/dbraw/zinc/02/41/45/1011024145.db2.gz KNZBHGJIMDEOMP-CQSZACIVSA-N 1 0 373.384 2.632 20 5 FFBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CC[C@@](C)([NH3+])C3)cc2[N+](=O)[O-])C1 ZINC000868076448 1011160303 /nfs/dbraw/zinc/16/03/03/1011160303.db2.gz FVHVANNTFHJYIG-PJIJBLCYSA-N 1 0 360.458 2.640 20 5 FFBDRO CC1CC[NH+](CC[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])cc2N)CC1 ZINC001171617001 1011404388 /nfs/dbraw/zinc/40/43/88/1011404388.db2.gz ZFQAEYPXQINHFC-HNNXBMFYSA-N 1 0 360.458 2.904 20 5 FFBDRO CNc1c(C(=O)Nc2ccc(C[NH+](C)C)cc2OC)cccc1[N+](=O)[O-] ZINC000868815462 1011490582 /nfs/dbraw/zinc/49/05/82/1011490582.db2.gz AWVNPGRDZSSMBP-UHFFFAOYSA-N 1 0 358.398 2.959 20 5 FFBDRO CN(C)C(=O)N1CCC([NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172900792 1012074534 /nfs/dbraw/zinc/07/45/34/1012074534.db2.gz FIKMDTFVWBHKGY-MRXNPFEDSA-N 1 0 360.458 2.578 20 5 FFBDRO NC(=O)c1ccc(OCC[NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)cc1 ZINC001172901019 1012075660 /nfs/dbraw/zinc/07/56/60/1012075660.db2.gz FOQXLBOTSHQIBV-QGZVFWFLSA-N 1 0 369.421 2.610 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]Cc1cc(OC3COC3)ccn1)CC2 ZINC001172902050 1012075916 /nfs/dbraw/zinc/07/59/16/1012075916.db2.gz UHWWRECJOYSSBO-MRXNPFEDSA-N 1 0 369.421 2.805 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@H]1CCCN(c3ccncn3)C1)CC2 ZINC001172904090 1012077684 /nfs/dbraw/zinc/07/76/84/1012077684.db2.gz LLWPKUBQTUAJQM-ROUUACIJSA-N 1 0 367.453 2.891 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H](N(c1ccncn1)C1CC[NH2+]CC1)CC2 ZINC001172912966 1012125329 /nfs/dbraw/zinc/12/53/29/1012125329.db2.gz NNINKCZRNREJAJ-QGZVFWFLSA-N 1 0 367.453 2.891 20 5 FFBDRO CC(C)N1CC([NH2+]C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)C1 ZINC001173008488 1012175832 /nfs/dbraw/zinc/17/58/32/1012175832.db2.gz AYKMWXFUBCCNMH-UHFFFAOYSA-N 1 0 354.401 2.524 20 5 FFBDRO O=c1ccc(C[NH2+]C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)c[nH]1 ZINC001173007764 1012176463 /nfs/dbraw/zinc/17/64/63/1012176463.db2.gz AECPYIDIELVATG-UHFFFAOYSA-N 1 0 364.352 2.732 20 5 FFBDRO C[C@H]1C[N@@H+](C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)CC[C@@]1(C)O ZINC001173009258 1012176493 /nfs/dbraw/zinc/17/64/93/1012176493.db2.gz ANYPJDBSCVRIHW-KPZWWZAWSA-N 1 0 369.412 2.935 20 5 FFBDRO C[C@H]([NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1)c1cnccn1 ZINC001173006898 1012177219 /nfs/dbraw/zinc/17/72/19/1012177219.db2.gz CLKJWWVEMLOKFN-NSHDSACASA-N 1 0 363.368 2.983 20 5 FFBDRO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173178513 1012322582 /nfs/dbraw/zinc/32/25/82/1012322582.db2.gz BTUYDKACUXWKJX-SCRDCRAPSA-N 1 0 368.405 2.995 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]Cc2cncn2CCF)c1F ZINC001173180235 1012325021 /nfs/dbraw/zinc/32/50/21/1012325021.db2.gz PZPAFFPCMXRQDH-NSHDSACASA-N 1 0 354.357 2.629 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]Cc2cccc(CCO)c2)c1F ZINC001173184474 1012330252 /nfs/dbraw/zinc/33/02/52/1012330252.db2.gz QNLMACJBAMKYAA-ZDUSSCGKSA-N 1 0 362.401 2.998 20 5 FFBDRO CCC[N@H+]1C[C@H]2CN([C@@H](C)Cc3c(F)c(OC)ccc3[N+](=O)[O-])C[C@H]2C1 ZINC001173191322 1012331262 /nfs/dbraw/zinc/33/12/62/1012331262.db2.gz BXZMNNKEJKGIPV-SOUVJXGZSA-N 1 0 365.449 2.947 20 5 FFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@H]2CN(Cc3cccnc3)C[C@H]2C1 ZINC001173220751 1012352227 /nfs/dbraw/zinc/35/22/27/1012352227.db2.gz CDCGTHDLOJNRSX-AHRSYUTCSA-N 1 0 366.465 2.985 20 5 FFBDRO COC(=O)c1ccc([C@H](CO)[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001173218505 1012352494 /nfs/dbraw/zinc/35/24/94/1012352494.db2.gz BIXFBAVVFHLFQC-ACJLOTCBSA-N 1 0 358.394 2.636 20 5 FFBDRO Cc1cc(N2CC[NH+]([C@H](C)Cc3ccc([N+](=O)[O-])cc3)CC2)nc(C)n1 ZINC001173226585 1012360429 /nfs/dbraw/zinc/36/04/29/1012360429.db2.gz KNIKJEVYXSCEJK-OAHLLOKOSA-N 1 0 355.442 2.755 20 5 FFBDRO COc1ccnc(N2CC[NH+]([C@H](C)Cc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC001173237745 1012386250 /nfs/dbraw/zinc/38/62/50/1012386250.db2.gz LULHKVFJUKVXKU-OAHLLOKOSA-N 1 0 356.426 2.752 20 5 FFBDRO C[N@@H+]1CCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CCC1(C)C ZINC000871150339 1012750074 /nfs/dbraw/zinc/75/00/74/1012750074.db2.gz NXTTZWOUHFACNM-UHFFFAOYSA-N 1 0 374.485 2.754 20 5 FFBDRO CC[C@H]1CCC[N@@H+]1C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001173698854 1012901572 /nfs/dbraw/zinc/90/15/72/1012901572.db2.gz RNBVPDFVAWVKTO-AWEZNQCLSA-N 1 0 367.471 2.622 20 5 FFBDRO CC(C)(C)[NH+]1CCC(N2C(=O)N[C@@](C)(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000924519220 1017338679 /nfs/dbraw/zinc/33/86/79/1017338679.db2.gz GMVRXQHYIXJQTA-IBGZPJMESA-N 1 0 374.441 2.625 20 5 FFBDRO C[N@@H+]1CC[C@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3N3CCCCC3)CC[C@@H]21 ZINC000827364404 1017780723 /nfs/dbraw/zinc/78/07/23/1017780723.db2.gz FSVDXLMXTDJSLZ-YJBOKZPZSA-N 1 0 372.469 2.751 20 5 FFBDRO CCOc1ccc([C@H](C)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)cc1[N+](=O)[O-] ZINC000925792935 1017848749 /nfs/dbraw/zinc/84/87/49/1017848749.db2.gz BYDWOGBKABIWPB-HOCLYGCPSA-N 1 0 363.458 2.803 20 5 FFBDRO Cn1nnc2c1C[C@H]([NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)CC2 ZINC000927148637 1018381003 /nfs/dbraw/zinc/38/10/03/1018381003.db2.gz XHTBEVVLDCKWLS-UZLBHIALSA-N 1 0 363.421 2.960 20 5 FFBDRO O=C1OCC[C@H]1CC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000828807697 1032845772 /nfs/dbraw/zinc/84/57/72/1032845772.db2.gz PXOYYCUQBCHNDH-DJIMGWMZSA-N 1 0 362.426 2.654 20 5 FFBDRO Cc1cccc(C)c1C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 ZINC001048525419 1020275282 /nfs/dbraw/zinc/27/52/82/1020275282.db2.gz UGEROERRRJINKE-KWXDATOUSA-N 1 0 371.481 2.828 20 5 FFBDRO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000777982725 1020390271 /nfs/dbraw/zinc/39/02/71/1020390271.db2.gz SNEUZIHBHMSZHL-UHFFFAOYSA-N 1 0 359.292 2.906 20 5 FFBDRO C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000902796540 1020483391 /nfs/dbraw/zinc/48/33/91/1020483391.db2.gz OXNZJSQSPUUGOB-LBPRGKRZSA-N 1 0 359.361 2.872 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2nc(CN3CC[NH+](CCCCCO)CC3)co2)cc1 ZINC000931495889 1020490282 /nfs/dbraw/zinc/49/02/82/1020490282.db2.gz DWFFOQZFXFPURN-UHFFFAOYSA-N 1 0 374.441 2.530 20 5 FFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000931495362 1020490564 /nfs/dbraw/zinc/49/05/64/1020490564.db2.gz JMBBWADDUAYGRP-MRXNPFEDSA-N 1 0 362.430 2.532 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC([C@]2(C)COC(=O)N2)CC1 ZINC000932093239 1020705669 /nfs/dbraw/zinc/70/56/69/1020705669.db2.gz OSYNQQSXJWYHCM-SFHVURJKSA-N 1 0 363.414 2.704 20 5 FFBDRO O=[N+]([O-])c1cc(Br)c(F)cc1O[C@H]1C[NH2+]CCC[C@H]1F ZINC001217977245 1032929726 /nfs/dbraw/zinc/92/97/26/1032929726.db2.gz MZSWHHGEBUEBHL-PELKAZGASA-N 1 0 351.147 2.965 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(O[C@H]2C[NH2+]CCC[C@H]2F)c(Br)c1 ZINC001217982135 1032933838 /nfs/dbraw/zinc/93/38/38/1032933838.db2.gz SCGATEFRVJAHOF-KOLCDFICSA-N 1 0 351.147 2.965 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H](CO)c2ccccc2C(F)(F)F)cc1 ZINC000933241347 1020982851 /nfs/dbraw/zinc/98/28/51/1020982851.db2.gz KRAQNBJWGNIDHV-JKSUJKDBSA-N 1 0 370.327 2.970 20 5 FFBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000933945119 1021118237 /nfs/dbraw/zinc/11/82/37/1021118237.db2.gz QRVAKMQUDZRZQV-HNNXBMFYSA-N 1 0 363.433 2.857 20 5 FFBDRO Cc1nn(CN2CC[NH+](C3CCC(C)CC3)CC2)c2ncc([N+](=O)[O-])cc12 ZINC000749954101 1021164084 /nfs/dbraw/zinc/16/40/84/1021164084.db2.gz QTARUZUOHFSHAV-UHFFFAOYSA-N 1 0 372.473 2.802 20 5 FFBDRO O=[N+]([O-])c1cc(Br)cc(O)c1O[C@H]1CCC[C@]12CC[NH2+]C2 ZINC001218093523 1032991999 /nfs/dbraw/zinc/99/19/99/1032991999.db2.gz ATWJEZHTRUNFHU-GXTWGEPZSA-N 1 0 357.204 2.974 20 5 FFBDRO Cc1ccc(C(=O)c2cc(O)c(O[C@H]3[C@@H]4C[C@H]3C[NH2+]C4)c([N+](=O)[O-])c2)cc1 ZINC001218146613 1033017037 /nfs/dbraw/zinc/01/70/37/1033017037.db2.gz CZXSZPWJCRTOKH-QWHZDKJVSA-N 1 0 368.389 2.827 20 5 FFBDRO CNc1ccc(C(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)cc1[N+](=O)[O-] ZINC000750654209 1022297650 /nfs/dbraw/zinc/29/76/50/1022297650.db2.gz FNXKUVTXCLXVMA-UHFFFAOYSA-N 1 0 356.426 2.970 20 5 FFBDRO Nc1ccc(NC(=O)[C@@H]2CCCCN2Cc2ccncc2)cc1[N+](=O)[O-] ZINC001118706271 1022361212 /nfs/dbraw/zinc/36/12/12/1022361212.db2.gz KHDHHLYGGRWKPI-INIZCTEOSA-N 1 0 355.398 2.565 20 5 FFBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc(C3CCCC3)cc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001020139645 1022564449 /nfs/dbraw/zinc/56/44/49/1022564449.db2.gz JJVZETGBRGGQCQ-NCXUSEDFSA-N 1 0 357.454 2.746 20 5 FFBDRO COc1cccc([C@H]2C[NH2+]CCN2C(=O)c2ccc([N+](=O)[O-])cc2F)c1 ZINC001119311214 1022671679 /nfs/dbraw/zinc/67/16/79/1022671679.db2.gz KBAQYVDPUFNDEG-QGZVFWFLSA-N 1 0 359.357 2.529 20 5 FFBDRO C/C(=C/C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000752424332 1023140035 /nfs/dbraw/zinc/14/00/35/1023140035.db2.gz KFRPQGADWYNVAG-RTYFKUQISA-N 1 0 373.453 2.615 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)C[C@@H]2C1 ZINC001120284677 1023293797 /nfs/dbraw/zinc/29/37/97/1023293797.db2.gz ZGVLOEQKDVQXBF-IXDOHACOSA-N 1 0 370.453 2.738 20 5 FFBDRO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001120617445 1023389321 /nfs/dbraw/zinc/38/93/21/1023389321.db2.gz HVFQHZVANSYOIZ-ZYHUDNBSSA-N 1 0 374.363 2.658 20 5 FFBDRO COc1c(C(=O)N2C[C@]34C[N@H+](C)C[C@@]3(C2)CCCC4)cccc1[N+](=O)[O-] ZINC001120756624 1023453284 /nfs/dbraw/zinc/45/32/84/1023453284.db2.gz SKVJFEBANCCLBE-KDURUIRLSA-N 1 0 359.426 2.551 20 5 FFBDRO C[C@@H]1CC[C@@H](Oc2ccc([N+](=O)[O-])c(I)c2)C[NH2+]1 ZINC001218398266 1033138039 /nfs/dbraw/zinc/13/80/39/1033138039.db2.gz KVEPWELXGNUNBL-PSASIEDQSA-N 1 0 362.167 2.719 20 5 FFBDRO O=[N+]([O-])c1ccc(O[C@H]2C[NH2+]CCC23CC3)cc1I ZINC001218405755 1033140243 /nfs/dbraw/zinc/14/02/43/1033140243.db2.gz QNZRFUZOGJOOBH-LBPRGKRZSA-N 1 0 374.178 2.720 20 5 FFBDRO O=[N+]([O-])c1ccc2nccc(N3CCC([NH2+]C4CCOCC4)CC3)c2c1 ZINC001121039403 1023578365 /nfs/dbraw/zinc/57/83/65/1023578365.db2.gz SFMDQKHZRVZGAU-UHFFFAOYSA-N 1 0 356.426 2.880 20 5 FFBDRO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000755315789 1023590441 /nfs/dbraw/zinc/59/04/41/1023590441.db2.gz FICXVHRADCHNKD-PFONDFGASA-N 1 0 361.442 2.567 20 5 FFBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC2CC[NH+](CC3CCCCC3)CC2)n1 ZINC000756818884 1023756718 /nfs/dbraw/zinc/75/67/18/1023756718.db2.gz OKFXDZTVTWHCMC-UHFFFAOYSA-N 1 0 363.462 2.586 20 5 FFBDRO CC1(C)CCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC(C)(C)[NH2+]1 ZINC001124023690 1024232915 /nfs/dbraw/zinc/23/29/15/1024232915.db2.gz UYTJQZFKIZEFGO-UHFFFAOYSA-N 1 0 371.441 2.773 20 5 FFBDRO COc1cccc(C(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000192752143 1024264950 /nfs/dbraw/zinc/26/49/50/1024264950.db2.gz ZEINMMLMDHDSRH-GDBMZVCRSA-N 1 0 369.421 2.996 20 5 FFBDRO O=C([C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC001122137353 1024374218 /nfs/dbraw/zinc/37/42/18/1024374218.db2.gz YNWXUIHJIHNACT-NZSAHSFTSA-N 1 0 357.454 2.937 20 5 FFBDRO O=[N+]([O-])c1ccc2oc(CO[C@H]3CC[C@H]([NH+]4CCOCC4)CC3)nc2c1 ZINC001222929158 1033207628 /nfs/dbraw/zinc/20/76/28/1033207628.db2.gz LQQZCHJWNQZHPW-CTYIDZIISA-N 1 0 361.398 2.896 20 5 FFBDRO C[N@@H+]1CCN(Cn2ncc3cc([N+](=O)[O-])ccc32)[C@@H](c2ccccc2)C1 ZINC000195598204 1025037287 /nfs/dbraw/zinc/03/72/87/1025037287.db2.gz TTZZJJWGEOZQCU-LJQANCHMSA-N 1 0 351.410 2.891 20 5 FFBDRO Cc1nn(CN2CCC[C@H]2Cn2c(C)nc3ccccc32)cc1[N+](=O)[O-] ZINC000779867414 1025178584 /nfs/dbraw/zinc/17/85/84/1025178584.db2.gz IJEBYJYBLAXIHK-HNNXBMFYSA-N 1 0 354.414 2.880 20 5 FFBDRO O=C(NCCC[NH+]1CCCCC1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000247310591 1026892863 /nfs/dbraw/zinc/89/28/63/1026892863.db2.gz IKEZVMHBMHUMOX-UHFFFAOYSA-N 1 0 360.458 2.801 20 5 FFBDRO C[C@@]12C[N@H+](Cn3cc([N+](=O)[O-])c(-c4ccncc4)n3)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000840114584 1026961373 /nfs/dbraw/zinc/96/13/73/1026961373.db2.gz GXLQRWKQSBUHMH-DRMAHVMPSA-N 1 0 351.410 2.955 20 5 FFBDRO [NH3+]Cc1ccc2c(n1)N(c1nc(Cl)nc(Cl)c1[N+](=O)[O-])CCC2 ZINC001158649012 1027083552 /nfs/dbraw/zinc/08/35/52/1027083552.db2.gz IIJTZSMEZHJLHT-UHFFFAOYSA-N 1 0 355.185 2.630 20 5 FFBDRO CCOC(=O)c1cc(Nc2cccnc2O[C@@H]2CC[NH2+]C2)cc([N+](=O)[O-])c1 ZINC001159347337 1027361512 /nfs/dbraw/zinc/36/15/12/1027361512.db2.gz QLZTVSLYSCAQNT-OAHLLOKOSA-N 1 0 372.381 2.651 20 5 FFBDRO O=[N+]([O-])c1ccc(C(F)(F)N[C@H]2CC[NH2+]C[C@@H]2C(F)(F)F)nc1Cl ZINC001160739093 1027847016 /nfs/dbraw/zinc/84/70/16/1027847016.db2.gz VZGOBJDJRHEQSF-BQBZGAKWSA-N 1 0 374.697 2.823 20 5 FFBDRO Cc1ncc([N+](=O)[O-])c(-n2cc(C[NH3+])c3ccc(Br)cc32)n1 ZINC001160756794 1027861784 /nfs/dbraw/zinc/86/17/84/1027861784.db2.gz FZACNFFDCACSNZ-UHFFFAOYSA-N 1 0 362.187 2.858 20 5 FFBDRO COc1cccc(C[N@@H+]2CC[C@H](Nc3cc(OC)c([N+](=O)[O-])cn3)C2)c1 ZINC001161188165 1028057499 /nfs/dbraw/zinc/05/74/99/1028057499.db2.gz RKTTUZSMXLYIAQ-AWEZNQCLSA-N 1 0 358.398 2.693 20 5 FFBDRO CN(CCC[N@H+](C)Cc1ccco1)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000795754544 1028094840 /nfs/dbraw/zinc/09/48/40/1028094840.db2.gz WRZJDLZIGOEYNX-UHFFFAOYSA-N 1 0 357.414 2.949 20 5 FFBDRO C[NH+](C)[C@@H]1C[C@H](NC(=O)c2cccc([N+](=O)[O-])c2Br)C1(C)C ZINC001161498236 1028201655 /nfs/dbraw/zinc/20/16/55/1028201655.db2.gz ININSBKVEBBONQ-NWDGAFQWSA-N 1 0 370.247 2.816 20 5 FFBDRO Cc1c(C(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000249752073 1028293994 /nfs/dbraw/zinc/29/39/94/1028293994.db2.gz RMCCUNUMVXLOET-NEPJUHHUSA-N 1 0 364.402 2.662 20 5 FFBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N[C@H](c1cccc(F)c1)C1CC[NH2+]CC1 ZINC001161821996 1028326056 /nfs/dbraw/zinc/32/60/56/1028326056.db2.gz KBSHOEVZTKTLKS-KRWDZBQOSA-N 1 0 360.389 2.829 20 5 FFBDRO CCOC(=O)c1c(C[NH3+])ncn1-c1cc(OC(C)C)c([N+](=O)[O-])cc1C ZINC001162540829 1028576146 /nfs/dbraw/zinc/57/61/46/1028576146.db2.gz JPLHLVUMZOURQV-UHFFFAOYSA-N 1 0 362.386 2.512 20 5 FFBDRO COC(=O)c1ccnc(-n2cc(CC[NH3+])c3c2cccc3Cl)c1[N+](=O)[O-] ZINC001162658508 1028610989 /nfs/dbraw/zinc/61/09/89/1028610989.db2.gz DVKQTLQBFYAQRM-UHFFFAOYSA-N 1 0 374.784 2.875 20 5 FFBDRO COc1cc2ncnc(NCc3ccc4c(c3)CC[NH2+]C4)c2cc1[N+](=O)[O-] ZINC001155267926 1028652329 /nfs/dbraw/zinc/65/23/29/1028652329.db2.gz HBVNBAZXDXMULT-UHFFFAOYSA-N 1 0 365.393 2.804 20 5 FFBDRO C[C@H]([NH3+])c1ccc2c(ccn2-c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])c1 ZINC001162914264 1028709649 /nfs/dbraw/zinc/70/96/49/1028709649.db2.gz QVGPENGUAQMEEE-NSHDSACASA-N 1 0 359.407 2.962 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)ncnc2NCC[C@H]1C[NH2+]Cc2cccn2C1 ZINC001155454837 1028741067 /nfs/dbraw/zinc/74/10/67/1028741067.db2.gz VHSJCWIGOKHKBE-ZDUSSCGKSA-N 1 0 352.398 2.561 20 5 FFBDRO O=[N+]([O-])c1cc(F)cc(Br)c1NCC[C@@H]1CCOC12C[NH2+]C2 ZINC001163088817 1028790141 /nfs/dbraw/zinc/79/01/41/1028790141.db2.gz HRZOMMLOKZEDBS-SECBINFHSA-N 1 0 374.210 2.677 20 5 FFBDRO O=[N+]([O-])c1cc(N[C@H]2CCO[C@]3(CC[NH2+]C3)C2)c2ncnc(Cl)c2c1 ZINC001155635315 1028828351 /nfs/dbraw/zinc/82/83/51/1028828351.db2.gz IOXHFUJLPCJLLQ-MGPLVRAMSA-N 1 0 363.805 2.514 20 5 FFBDRO O=[N+]([O-])c1cc(C(F)(F)NC[C@@H]2Cc3ccccc3C[NH2+]2)cnc1Cl ZINC001163269905 1028865586 /nfs/dbraw/zinc/86/55/86/1028865586.db2.gz HPCHBJLOGMSGCI-ZDUSSCGKSA-N 1 0 368.771 2.997 20 5 FFBDRO Cn1c2ccccc2c(NC[C@@H]2CCC[N@H+](CC3CC3)C2)c([N+](=O)[O-])c1=O ZINC001163817298 1029072830 /nfs/dbraw/zinc/07/28/30/1029072830.db2.gz HTVOILAFIZCUQM-HNNXBMFYSA-N 1 0 370.453 2.981 20 5 FFBDRO CCOc1cc(N(CCOC)CC2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001163878135 1029099662 /nfs/dbraw/zinc/09/96/62/1029099662.db2.gz GSWJRNKOIGTNEK-UHFFFAOYSA-N 1 0 351.447 2.788 20 5 FFBDRO O=[N+]([O-])c1cnc(N2CCC(COCC[NH+]3CCCC3)CC2)c(Cl)c1 ZINC001163879917 1029101457 /nfs/dbraw/zinc/10/14/57/1029101457.db2.gz OVISVCQBPAIIOR-UHFFFAOYSA-N 1 0 368.865 2.972 20 5 FFBDRO COc1nc(C)c(NCc2cccnc2C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC001163912331 1029113673 /nfs/dbraw/zinc/11/36/73/1029113673.db2.gz VUOABKNOTNGWDN-UHFFFAOYSA-N 1 0 357.414 2.781 20 5 FFBDRO CCOC(=O)c1ccnc(N2CC[N@H+](C3CCCC3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC001164145998 1029184780 /nfs/dbraw/zinc/18/47/80/1029184780.db2.gz LNTCBVAYDNVDNT-ZDUSSCGKSA-N 1 0 362.430 2.620 20 5 FFBDRO [NH3+]CC1(c2ccccc2)CCN(c2cc([N+](=O)[O-])c3cc[nH]c3n2)CC1 ZINC001164439560 1029281466 /nfs/dbraw/zinc/28/14/66/1029281466.db2.gz RHCBGSYUTUDPFM-UHFFFAOYSA-N 1 0 351.410 2.968 20 5 FFBDRO CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C(C)(C)C1 ZINC001156837487 1029371179 /nfs/dbraw/zinc/37/11/79/1029371179.db2.gz UXNDLPMTOWWNAL-OAHLLOKOSA-N 1 0 351.422 2.858 20 5 FFBDRO Cc1c(C)c([N+](=O)[O-])cnc1N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC001157169869 1029491851 /nfs/dbraw/zinc/49/18/51/1029491851.db2.gz ZAJROOJOSYZYKQ-ZDUSSCGKSA-N 1 0 352.435 2.858 20 5 FFBDRO C[N@@H+]1CCC[C@H]2CN(c3nc(C(F)(F)F)nc(Cl)c3[N+](=O)[O-])C[C@@H]21 ZINC001157272462 1029531643 /nfs/dbraw/zinc/53/16/43/1029531643.db2.gz MYKQWQIGNFLMCT-YUMQZZPRSA-N 1 0 365.743 2.587 20 5 FFBDRO Nc1cc(N(Cc2ccccc2F)[C@H]2CC[C@H]([NH3+])CC2)ncc1[N+](=O)[O-] ZINC001158147378 1029745827 /nfs/dbraw/zinc/74/58/27/1029745827.db2.gz AMORLNNSYMNSNQ-HDJSIYSDSA-N 1 0 359.405 2.988 20 5 FFBDRO [NH3+][C@@H](Cc1c2ccccc2cc2ccccc21)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158208668 1029756608 /nfs/dbraw/zinc/75/66/08/1029756608.db2.gz WZAQHIZGWRFLTA-FDFHNCONSA-N 1 0 359.473 2.826 20 5 FFBDRO CSc1nc(Cl)c([N+](=O)[O-])c(-n2ncc3c2cccc3C[NH3+])n1 ZINC001158307769 1029794088 /nfs/dbraw/zinc/79/40/88/1029794088.db2.gz IGUQXCZSTQXQJQ-UHFFFAOYSA-N 1 0 350.791 2.558 20 5 FFBDRO [NH3+]Cc1cccc2c1cnn2-c1cc([N+](=O)[O-])cc2c(Cl)ncnc21 ZINC001158313163 1029794448 /nfs/dbraw/zinc/79/44/48/1029794448.db2.gz ULQGPRPFNILNLT-UHFFFAOYSA-N 1 0 354.757 2.989 20 5 FFBDRO Cc1ccc(-c2nc3sccc3c(-n3nncc3C[NH3+])n2)cc1[N+](=O)[O-] ZINC001158428259 1029826714 /nfs/dbraw/zinc/82/67/14/1029826714.db2.gz UDTMISFFXVEPFW-UHFFFAOYSA-N 1 0 367.394 2.614 20 5 FFBDRO Cc1cc(NC[C@@H](O)COc2cccc(F)c2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000782947151 1029860385 /nfs/dbraw/zinc/86/03/85/1029860385.db2.gz COZWSISWWOATFX-OAHLLOKOSA-N 1 0 371.368 2.864 20 5 FFBDRO [NH3+]C1([C@@H]2CN(c3ccc(-c4ccccc4[N+](=O)[O-])nn3)C[C@@H]2CF)CC1 ZINC001165431609 1029979144 /nfs/dbraw/zinc/97/91/44/1029979144.db2.gz COYHDSBTRVRUEB-GXTWGEPZSA-N 1 0 357.389 2.565 20 5 FFBDRO CC(C)(C(=O)O[C@@H]1CCC[N@H+](Cc2ccccc2)C1)n1cc([N+](=O)[O-])cn1 ZINC000783441074 1030098057 /nfs/dbraw/zinc/09/80/57/1030098057.db2.gz RPSMYKZOXNFJOG-QGZVFWFLSA-N 1 0 372.425 2.734 20 5 FFBDRO Cc1cc([N+](=O)[O-])cnc1N(c1ccccn1)[C@@H]1C[NH2+]C[C@@H]2CCCO[C@H]12 ZINC001166297790 1030351459 /nfs/dbraw/zinc/35/14/59/1030351459.db2.gz QMXFEYVVBZFSQO-LESCRADOSA-N 1 0 369.425 2.598 20 5 FFBDRO C/C(=C/C(=O)N1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000784082310 1030458478 /nfs/dbraw/zinc/45/84/78/1030458478.db2.gz HOMHOLSKAZKLEO-HUYYVCJPSA-N 1 0 373.453 2.708 20 5 FFBDRO CC(C)(C)N1CC[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1=O ZINC000842886830 1031022611 /nfs/dbraw/zinc/02/26/11/1031022611.db2.gz TXWLVRDMFDUXLN-QGZVFWFLSA-N 1 0 360.458 2.553 20 5 FFBDRO CCOC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000797521727 1031143507 /nfs/dbraw/zinc/14/35/07/1031143507.db2.gz ZJYAIJMAXIZIRP-UKRRQHHQSA-N 1 0 365.430 2.950 20 5 FFBDRO NC(=O)C1(C(=O)Nc2cc3oc4cc(=[NH2+])ccc-4nc3c3ccccc23)CC1 ZINC001143167439 1031280368 /nfs/dbraw/zinc/28/03/68/1031280368.db2.gz UXQDJNFCTXTMIY-UHFFFAOYSA-N 1 0 372.384 2.769 20 5 FFBDRO [NH3+][C@@H](C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1cccc(Cl)c1 ZINC000843360942 1031352163 /nfs/dbraw/zinc/35/21/63/1031352163.db2.gz ZALVNYPNZUDGOU-QGZVFWFLSA-N 1 0 374.828 2.597 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H](c1nc(-c3ccc4c(n3)CC[NH2+]C4)no1)N=N2 ZINC001204998946 1031484265 /nfs/dbraw/zinc/48/42/65/1031484265.db2.gz PIWPNNGQHUXCND-HNNXBMFYSA-N 1 0 363.337 2.872 20 5 FFBDRO COC(=O)c1c[nH]c(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1C1CC1 ZINC001205634174 1031890636 /nfs/dbraw/zinc/89/06/36/1031890636.db2.gz PGNSSRUMUUVVLN-UHFFFAOYSA-N 1 0 373.413 2.621 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC001151550973 1031982514 /nfs/dbraw/zinc/98/25/14/1031982514.db2.gz KEYXYOXUWZWYBY-KCXAZCMYSA-N 1 0 367.833 2.572 20 5 FFBDRO Nc1ccc2n(C(=O)[C@@H]([NH3+])Cc3ccsc3)c3ccccc3cc-2c1=O ZINC001219253849 1033573343 /nfs/dbraw/zinc/57/33/43/1033573343.db2.gz MCOCRJZAANMXQM-INIZCTEOSA-N 1 0 363.442 2.960 20 5 FFBDRO CCO[C@@H]1C[C@@H]([NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C12CCC2 ZINC000831315334 1034030036 /nfs/dbraw/zinc/03/00/36/1034030036.db2.gz XQGZGFCPTPWVGT-HZPDHXFCSA-N 1 0 365.405 3.000 20 5 FFBDRO O=[N+]([O-])c1ccc(OCCC[NH+]2CCN(c3ccnc(F)c3)CC2)cc1 ZINC000831447811 1034079930 /nfs/dbraw/zinc/07/99/30/1034079930.db2.gz WJOHLRHQBINFEH-UHFFFAOYSA-N 1 0 360.389 2.720 20 5 FFBDRO Cc1cc(OC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)ncc1[N+](=O)[O-] ZINC001225660077 1034355219 /nfs/dbraw/zinc/35/52/19/1034355219.db2.gz BKGZSCPKZFGTGC-QGZVFWFLSA-N 1 0 357.410 2.968 20 5 FFBDRO COCCC[NH+]1CCC(Oc2ncc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC001225894467 1034441242 /nfs/dbraw/zinc/44/12/42/1034441242.db2.gz KNJPBACDKCKIBG-UHFFFAOYSA-N 1 0 363.336 2.888 20 5 FFBDRO O=C(O[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000835396342 1035744981 /nfs/dbraw/zinc/74/49/81/1035744981.db2.gz MFGJSKNLEAEVKH-GJZGRUSLSA-N 1 0 356.382 2.564 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])c(O[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1[O-] ZINC001228809479 1036335816 /nfs/dbraw/zinc/33/58/16/1036335816.db2.gz GHAUNSSUBWTSGR-AWEZNQCLSA-N 1 0 372.377 2.740 20 5 FFBDRO COC(=O)c1c(O[C@@H]2CC[N@@H+]([C@@H](C)c3ccccn3)C2)cccc1[N+](=O)[O-] ZINC001229050061 1036473360 /nfs/dbraw/zinc/47/33/60/1036473360.db2.gz SLMLKCQKPCXLAX-UONOGXRCSA-N 1 0 371.393 2.991 20 5 FFBDRO O=[N+]([O-])c1c(I)cccc1O[C@H]1C[NH+]2CCC1CC2 ZINC001229661575 1036812524 /nfs/dbraw/zinc/81/25/24/1036812524.db2.gz WXBLDSOXZVFJLK-LBPRGKRZSA-N 1 0 374.178 2.672 20 5 FFBDRO C[C@H](C[N+](C)(C)C)Oc1cc([N+](=O)[O-])ccc1I ZINC001229836390 1036924493 /nfs/dbraw/zinc/92/44/93/1036924493.db2.gz SYGKELJBOGCKFJ-SECBINFHSA-N 1 0 365.191 2.673 20 5 FFBDRO COc1c(C)cc([N+](=O)[O-])c(O[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1[N+](=O)[O-] ZINC001229869577 1036950681 /nfs/dbraw/zinc/95/06/81/1036950681.db2.gz DCDUJLHYSMHXTI-GDNZZTSVSA-N 1 0 351.359 2.824 20 5 FFBDRO CC[N@@H+]1CC[C@H](Oc2cc(O)c(OC)c3c2c(=O)c2ccccc2n3C)C1 ZINC001234168879 1036954749 /nfs/dbraw/zinc/95/47/49/1036954749.db2.gz AQVGYTYAMBWGFI-ZDUSSCGKSA-N 1 0 368.433 2.879 20 5 FFBDRO CC(=O)O[C@@H]1C[C@@H]2C[C@H](Oc3ccc(Cl)c([N+](=O)[O-])c3)C[C@H]1[N@@H+]2C ZINC001229964086 1037005801 /nfs/dbraw/zinc/00/58/01/1037005801.db2.gz NZUSUTKVJPZSGE-GDJRKYJOSA-N 1 0 354.790 2.794 20 5 FFBDRO Nc1[nH]c2ccc(O[C@H]3CCN(c4c(F)cccc4[N+](=O)[O-])C3)cc2[nH+]1 ZINC001230516862 1037299095 /nfs/dbraw/zinc/29/90/95/1037299095.db2.gz VBJSCFFPKPGXRG-NSHDSACASA-N 1 0 357.345 2.850 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)[NH2+][C@H]2CC[C@H](c3ccccc3)C2)cc1 ZINC001207473408 1037471945 /nfs/dbraw/zinc/47/19/45/1037471945.db2.gz ABBCMZXPAGNBCR-RAUXBKROSA-N 1 0 356.422 2.915 20 5 FFBDRO Cc1ccc(OC(=O)c2ccccc2OC(=O)C[C@@H](O)C[N+](C)(C)C)cc1 ZINC001231297065 1037528991 /nfs/dbraw/zinc/52/89/91/1037528991.db2.gz LLPNDYJHVJUGBQ-MRXNPFEDSA-N 1 0 372.441 2.577 20 5 FFBDRO COc1cc(N2CCC([N@H+](C)CC3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC001256092958 1038379806 /nfs/dbraw/zinc/37/98/06/1038379806.db2.gz CGKXWKISVPXKGP-UHFFFAOYSA-N 1 0 363.458 2.931 20 5 FFBDRO COc1cc(N2CCC([N@@H+]3CC[C@@H]4OCC[C@H]4C3)CC2)ccc1[N+](=O)[O-] ZINC001256100776 1038384162 /nfs/dbraw/zinc/38/41/62/1038384162.db2.gz OTBJXHXCQXEJRO-KSSFIOAISA-N 1 0 361.442 2.683 20 5 FFBDRO COc1cc(N2CCC([N@@H+]3CCC[C@@]34CCOC4)CC2)ccc1[N+](=O)[O-] ZINC001256100973 1038384499 /nfs/dbraw/zinc/38/44/99/1038384499.db2.gz WTVPKZSOJVMRQI-IBGZPJMESA-N 1 0 361.442 2.827 20 5 FFBDRO COc1cc(N2CCC([N@@H+]3C[C@@H]4CCCC(=O)[C@@H]4C3)CC2)ccc1[N+](=O)[O-] ZINC001256103854 1038388782 /nfs/dbraw/zinc/38/87/82/1038388782.db2.gz PKJCJSUDIHNNRO-WMLDXEAASA-N 1 0 373.453 2.873 20 5 FFBDRO COc1cc(N2CCC([N@@H+]3C[C@H]4CCCC(=O)[C@@H]4C3)CC2)ccc1[N+](=O)[O-] ZINC001256103823 1038389991 /nfs/dbraw/zinc/38/99/91/1038389991.db2.gz PKJCJSUDIHNNRO-RHSMWYFYSA-N 1 0 373.453 2.873 20 5 FFBDRO COc1ccc(Cc2nnc(CC[NH+]3CCC(C)CC3)o2)cc1[N+](=O)[O-] ZINC001257897353 1039046208 /nfs/dbraw/zinc/04/62/08/1039046208.db2.gz WLNKPSRXJQUJMA-UHFFFAOYSA-N 1 0 360.414 2.852 20 5 FFBDRO C[C@@H]1C[NH+](CCc2nnc(-c3cc(F)c([N+](=O)[O-])c(F)c3)o2)C[C@@H](C)O1 ZINC001258146544 1039226755 /nfs/dbraw/zinc/22/67/55/1039226755.db2.gz OKSVCFOCAKGBPC-NXEZZACHSA-N 1 0 368.340 2.575 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C[C@@H]2Cc3ccccc3CN2)c1F ZINC001246281448 1039296484 /nfs/dbraw/zinc/29/64/84/1039296484.db2.gz RQODUABRDLROEM-CJNGLKHVSA-N 1 0 373.428 2.978 20 5 FFBDRO C[C@H]1CC[C@H](C[NH3+])N(C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)C1 ZINC001246569304 1039401566 /nfs/dbraw/zinc/40/15/66/1039401566.db2.gz OTIWZJASLGSYQN-GXTWGEPZSA-N 1 0 368.428 2.901 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CCCC[C@]23CC[NH2+]C3)c1F ZINC001246645272 1039425878 /nfs/dbraw/zinc/42/58/78/1039425878.db2.gz UQYWHTWFBRYEGT-FZKQIMNGSA-N 1 0 351.422 2.892 20 5 FFBDRO CC[C@H]1CN(C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)CC[NH2+]1 ZINC001246803979 1039487046 /nfs/dbraw/zinc/48/70/46/1039487046.db2.gz PCUWZYZTHLXNBB-LBPRGKRZSA-N 1 0 354.401 2.526 20 5 FFBDRO C[C@H]1CN(C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)[C@@H](C)C[NH2+]1 ZINC001246875445 1039515198 /nfs/dbraw/zinc/51/51/98/1039515198.db2.gz VXUDFWTTZQJLFU-RYUDHWBXSA-N 1 0 354.401 2.524 20 5 FFBDRO COc1ccc(-c2noc(C[C@@H]([NH3+])c3ccc([N+](=O)[O-])cc3)n2)c(OC)c1 ZINC001249342391 1040692157 /nfs/dbraw/zinc/69/21/57/1040692157.db2.gz LMHQLQKIGJPUCY-OAHLLOKOSA-N 1 0 370.365 2.905 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCN3CCC(F)(F)CC3)CC2)cc1 ZINC001254470353 1040736969 /nfs/dbraw/zinc/73/69/69/1040736969.db2.gz RYRGFPQUDIYZNQ-UHFFFAOYSA-N 1 0 368.428 2.884 20 5 FFBDRO CCCNC(=O)[C@H]1CCCC[N@@H+]1C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254479315 1040744238 /nfs/dbraw/zinc/74/42/38/1040744238.db2.gz XJRXIDSVZYXSAE-LJQANCHMSA-N 1 0 374.485 2.944 20 5 FFBDRO COC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[N@@H+]1C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254483020 1040748774 /nfs/dbraw/zinc/74/87/74/1040748774.db2.gz OYZHNCCWXMAVMW-BVGQSLNGSA-N 1 0 359.426 2.590 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1CCN(c2cnccn2)CC1 ZINC001254547168 1040791239 /nfs/dbraw/zinc/79/12/39/1040791239.db2.gz VYGWUXBPUNZVIW-HNNXBMFYSA-N 1 0 355.442 2.822 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(N2CCOCC2=O)cc1 ZINC001254548809 1040792635 /nfs/dbraw/zinc/79/26/35/1040792635.db2.gz QCRMAKVGSFRATI-OAHLLOKOSA-N 1 0 369.421 2.679 20 5 FFBDRO CCOC[C@H]1C[N@@H+]([C@@H](C)Cc2ccccc2[N+](=O)[O-])Cc2cn(C)nc21 ZINC001254563213 1040803130 /nfs/dbraw/zinc/80/31/30/1040803130.db2.gz XXFQMYIQXKAHJO-WMLDXEAASA-N 1 0 358.442 2.895 20 5 FFBDRO COc1ccnc(N([C@@H](C)Cc2ccccc2[N+](=O)[O-])C2CC[NH2+]CC2)n1 ZINC001254571595 1040809124 /nfs/dbraw/zinc/80/91/24/1040809124.db2.gz YNIHXZGABSCBLT-AWEZNQCLSA-N 1 0 371.441 2.583 20 5 FFBDRO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254575455 1040810583 /nfs/dbraw/zinc/81/05/83/1040810583.db2.gz QTRVJARPPIYSEB-WQVCFCJDSA-N 1 0 361.442 2.955 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]CC1CCN(c3ccccn3)CC1)C2 ZINC001254578382 1040811867 /nfs/dbraw/zinc/81/18/67/1040811867.db2.gz KPCLXYBODQWPDV-SFHVURJKSA-N 1 0 352.438 2.963 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]Cc1ccc(OC3CCOCC3)nc1)C2 ZINC001254584767 1040817310 /nfs/dbraw/zinc/81/73/10/1040817310.db2.gz UCLSZOGDHOZJSW-KRWDZBQOSA-N 1 0 369.421 2.805 20 5 FFBDRO COc1ccc2c(c1)OC[C@H](C[NH2+][C@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254588666 1040820866 /nfs/dbraw/zinc/82/08/66/1040820866.db2.gz HMIUPPFHWCIZHX-GUYCJALGSA-N 1 0 354.406 2.912 20 5 FFBDRO COC(=O)c1cccc2c1CC[N@@H+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254605249 1040834265 /nfs/dbraw/zinc/83/42/65/1040834265.db2.gz ARIZZCNTUPTTDF-KRWDZBQOSA-N 1 0 352.390 2.907 20 5 FFBDRO CC(C)N1CC2(CC1=O)CC[NH+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)CC2 ZINC001254610562 1040838753 /nfs/dbraw/zinc/83/87/53/1040838753.db2.gz LCKBYNGPEFBODS-SFHVURJKSA-N 1 0 357.454 2.785 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H](N(c1ccncc1F)C1CC[NH2+]CC1)C2 ZINC001254612165 1040841414 /nfs/dbraw/zinc/84/14/14/1040841414.db2.gz VOXYWVCSSTYBPF-KRWDZBQOSA-N 1 0 356.401 2.855 20 5 FFBDRO Cc1cncnc1O[C@H]1CCC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254612418 1040841486 /nfs/dbraw/zinc/84/14/86/1040841486.db2.gz WEDBVAWMABQSAQ-ROUUACIJSA-N 1 0 354.410 2.704 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]Cc2cccc(OCC(F)(F)F)n2)cc1 ZINC001261437979 1041237738 /nfs/dbraw/zinc/23/77/38/1041237738.db2.gz RCPZFYUQJVHRRF-CQSZACIVSA-N 1 0 371.315 2.754 20 5 FFBDRO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1C[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]2C1 ZINC001262377072 1041666002 /nfs/dbraw/zinc/66/60/02/1041666002.db2.gz LEZHWWSDNLEOEP-OUAUKWLOSA-N 1 0 361.368 2.514 20 5 FFBDRO CC(C)Oc1nc(N2CCC([NH2+]C3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC001262706261 1041805863 /nfs/dbraw/zinc/80/58/63/1041805863.db2.gz IMSSWNLIMSNLHL-UHFFFAOYSA-N 1 0 364.446 2.514 20 5 FFBDRO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001263108059 1042108070 /nfs/dbraw/zinc/10/80/70/1042108070.db2.gz NACVTCVSSNUUIC-KRWDZBQOSA-N 1 0 351.834 2.783 20 5 FFBDRO O=C(NC[C@H]1CC[C@H](C[NH2+]CCC2CCCC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001279254699 1042969113 /nfs/dbraw/zinc/96/91/13/1042969113.db2.gz TVFMESAKBLRZDS-BRSBDYLESA-N 1 0 351.491 2.744 20 5 FFBDRO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC001310077182 1043633323 /nfs/dbraw/zinc/63/33/23/1043633323.db2.gz KOLHVSPJSCXDBM-JSGCOSHPSA-N 1 0 370.862 2.950 20 5 FFBDRO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001318960256 1044960349 /nfs/dbraw/zinc/96/03/49/1044960349.db2.gz VHHDLWHWGZZLJN-LBPRGKRZSA-N 1 0 368.231 2.668 20 5 FFBDRO C[N@@H+](Cc1cc2ccccc2[nH]1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC001320887252 1045488303 /nfs/dbraw/zinc/48/83/03/1045488303.db2.gz AVZGBUCOXXUECP-MRXNPFEDSA-N 1 0 355.394 2.948 20 5 FFBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]C[C@@H](CO)CC2CCOCC2)c1 ZINC001320934976 1045497544 /nfs/dbraw/zinc/49/75/44/1045497544.db2.gz NARVXHRFUBSAPG-ZDUSSCGKSA-N 1 0 374.384 2.711 20 5 FFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCN1CCC(CO)CC1 ZINC001323270348 1045525191 /nfs/dbraw/zinc/52/51/91/1045525191.db2.gz UNZXTEGQWOBPMF-INIZCTEOSA-N 1 0 367.515 2.759 20 5 FFBDRO O=C(NC1(C[NH2+]Cc2ccc(F)cc2F)CCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001282607466 1045954579 /nfs/dbraw/zinc/95/45/79/1045954579.db2.gz PHQMLIXBYRDOID-GDBMZVCRSA-N 1 0 367.396 2.539 20 5 FFBDRO Cc1c(NC(=O)c2ccccc2N2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC001322404097 1046070029 /nfs/dbraw/zinc/07/00/29/1046070029.db2.gz KGNAMGVAVPSZSF-UHFFFAOYSA-N 1 0 354.410 2.907 20 5 FFBDRO C[N@H+](CCOCCO)Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001322652164 1046165340 /nfs/dbraw/zinc/16/53/40/1046165340.db2.gz KAIYGZUBGHTKGW-UHFFFAOYSA-N 1 0 354.790 2.949 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N2C[C@]34C[N@@H+](C)C[C@@]3(C2)CCCC4)c1F ZINC001540111353 1070767497 /nfs/dbraw/zinc/76/74/97/1070767497.db2.gz CCJZUPZPBSWKGI-KDURUIRLSA-N 1 0 361.417 2.990 20 5 FFBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1ncc(C2CC[NH2+]CC2)s1 ZINC001326037578 1046737933 /nfs/dbraw/zinc/73/79/33/1046737933.db2.gz AFUMXYZZGGHHLQ-UHFFFAOYSA-N 1 0 361.427 2.812 20 5 FFBDRO [NH3+][C@H](C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)C1CCCCC1 ZINC001326304929 1046863679 /nfs/dbraw/zinc/86/36/79/1046863679.db2.gz BMJVOGWJUWPHFV-SFHVURJKSA-N 1 0 361.442 2.872 20 5 FFBDRO COCCN(CC1CC[NH+](C)CC1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001331302990 1047851648 /nfs/dbraw/zinc/85/16/48/1047851648.db2.gz KTCBBLBPHLOGJJ-UHFFFAOYSA-N 1 0 368.409 2.556 20 5 FFBDRO CC[N@@H+]1CCC[C@H](CN[C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC001327891852 1048085426 /nfs/dbraw/zinc/08/54/26/1048085426.db2.gz PFMQLQZQQWDLQM-QAPCUYQASA-N 1 0 357.458 2.739 20 5 FFBDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001328430338 1048300422 /nfs/dbraw/zinc/30/04/22/1048300422.db2.gz YONKPGSABNULOI-HNNXBMFYSA-N 1 0 360.458 2.783 20 5 FFBDRO C[C@]1(CO)C[C@@H](O)C[N@@H+]1Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001332718781 1048525603 /nfs/dbraw/zinc/52/56/03/1048525603.db2.gz USSKWYINLXSSGM-SJKOYZFVSA-N 1 0 366.801 2.826 20 5 FFBDRO C[C@H](CNC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)[N@@H+]1CCCC[C@H]1C ZINC001540833308 1071014411 /nfs/dbraw/zinc/01/44/11/1071014411.db2.gz LUMTUHRXJKXOCW-ZIAGYGMSSA-N 1 0 371.441 2.978 20 5 FFBDRO CC[NH+](CC)C1CCN(CN2CC[C@H](c3ccc([N+](=O)[O-])cc3)C2=O)CC1 ZINC001329939922 1048977488 /nfs/dbraw/zinc/97/74/88/1048977488.db2.gz JKIXNGILFNOMMP-LJQANCHMSA-N 1 0 374.485 2.674 20 5 FFBDRO C[NH+](C)[C@@H](CNC(=O)c1[nH]nc([N+](=O)[O-])c1Cl)c1ccc(Cl)cc1 ZINC001294243576 1049718702 /nfs/dbraw/zinc/71/87/02/1049718702.db2.gz JSQPULCULOUEQM-JTQLQIEISA-N 1 0 372.212 2.657 20 5 FFBDRO Cc1nccn1-c1cc[nH+]cc1NC(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC001339740127 1050165022 /nfs/dbraw/zinc/16/50/22/1050165022.db2.gz DVAGYUMERMTYIB-UHFFFAOYSA-N 1 0 367.365 2.810 20 5 FFBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)c1cnc(CC2CC[NH2+]CC2)s1 ZINC001339860980 1050279163 /nfs/dbraw/zinc/27/91/63/1050279163.db2.gz HECRYCTXYOEMKB-UHFFFAOYSA-N 1 0 374.466 2.566 20 5 FFBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC001299849455 1050622767 /nfs/dbraw/zinc/62/27/67/1050622767.db2.gz URTVAHZPDNEYFD-QAPCUYQASA-N 1 0 368.437 2.712 20 5 FFBDRO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])N[C@@H]1CC[NH2+]C12CCCC2 ZINC001342126465 1050720388 /nfs/dbraw/zinc/72/03/88/1050720388.db2.gz CUVCJEAMSWILAR-OAHLLOKOSA-N 1 0 351.834 2.972 20 5 FFBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccc1 ZINC001301749866 1050972025 /nfs/dbraw/zinc/97/20/25/1050972025.db2.gz CSYGAPZOHIOOCK-OALUTQOASA-N 1 0 351.406 2.623 20 5 FFBDRO O=C(c1cccc([N+](=O)[O-])c1)N1C[C@H](C[C@H]2COCC[NH2+]2)c2ccccc21 ZINC001342875886 1051485002 /nfs/dbraw/zinc/48/50/02/1051485002.db2.gz OXFVDYBTSXVXIW-HOTGVXAUSA-N 1 0 367.405 2.717 20 5 FFBDRO CC[N@@H+]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C(C)(C)C1 ZINC001304042379 1051511395 /nfs/dbraw/zinc/51/13/95/1051511395.db2.gz HUJMBKPGDYLARE-ZDUSSCGKSA-N 1 0 357.357 2.656 20 5 FFBDRO O=C(N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC001342982527 1051597970 /nfs/dbraw/zinc/59/79/70/1051597970.db2.gz MMDPYKAGVKEVTJ-DNVCBOLYSA-N 1 0 353.378 2.581 20 5 FFBDRO COc1cc(C(=O)N2CCCc3cc(CC[NH3+])ccc32)ccc1[N+](=O)[O-] ZINC001343035920 1051651829 /nfs/dbraw/zinc/65/18/29/1051651829.db2.gz CNNULQWVPLUNHX-UHFFFAOYSA-N 1 0 355.394 2.698 20 5 FFBDRO COC1CC[NH+](CCNC(=O)Nc2ccc([N+](=O)[O-])c3ccccc23)CC1 ZINC001344854894 1052069572 /nfs/dbraw/zinc/06/95/72/1052069572.db2.gz SKNABHHTCUOWSB-UHFFFAOYSA-N 1 0 372.425 2.980 20 5 FFBDRO O=C1COc2ccccc2N1CC[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC001343301125 1052147314 /nfs/dbraw/zinc/14/73/14/1052147314.db2.gz SGVUIHSWKCFTGP-UHFFFAOYSA-N 1 0 361.785 2.763 20 5 FFBDRO COCC[N@@H+]1CCCN(c2c3cc(Cl)ccc3ncc2[N+](=O)[O-])CC1 ZINC001306930493 1052223444 /nfs/dbraw/zinc/22/34/44/1052223444.db2.gz AGQUBBVZIYGJMX-UHFFFAOYSA-N 1 0 364.833 2.955 20 5 FFBDRO COc1ccc(NC(=O)N2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC001345094955 1052253381 /nfs/dbraw/zinc/25/33/81/1052253381.db2.gz CSXJPHMHLIBUEC-MELADBBJSA-N 1 0 362.430 2.797 20 5 FFBDRO C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC001339267980 1052255234 /nfs/dbraw/zinc/25/52/34/1052255234.db2.gz YQYXDNUOEKBUTE-NSHDSACASA-N 1 0 356.220 2.571 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(Cc2nc([C@@H]3C[C@@H]3C)no2)CC1 ZINC001307907543 1052365768 /nfs/dbraw/zinc/36/57/68/1052365768.db2.gz LNODCXIUDUUNCR-SWLSCSKDSA-N 1 0 374.445 2.561 20 5 FFBDRO C[N@H+](CCCNC(=O)OC(C)(C)C)CCOc1ccccc1[N+](=O)[O-] ZINC001307922250 1052366191 /nfs/dbraw/zinc/36/61/91/1052366191.db2.gz NZCMEHYOUNNKHI-UHFFFAOYSA-N 1 0 353.419 2.820 20 5 FFBDRO O=C(NCC[C@@H]1CCC[NH2+]CC1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001343766531 1052408706 /nfs/dbraw/zinc/40/87/06/1052408706.db2.gz ZBMWHBOUJYLPJL-MRXNPFEDSA-N 1 0 374.485 2.707 20 5 FFBDRO Cc1cc(C(=O)N[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc([N+](=O)[O-])c1 ZINC001345560173 1052510284 /nfs/dbraw/zinc/51/02/84/1052510284.db2.gz NJGBETPCFNYBAT-PXNSSMCTSA-N 1 0 367.405 2.889 20 5 FFBDRO O=C(N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC001345560415 1052510701 /nfs/dbraw/zinc/51/07/01/1052510701.db2.gz NZGDJXHWZOTQRH-VQIMIIECSA-N 1 0 353.378 2.581 20 5 FFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@@H]2C1 ZINC001334831234 1053103902 /nfs/dbraw/zinc/10/39/02/1053103902.db2.gz FXYWOUZTCYATKT-ZNMIVQPWSA-N 1 0 361.442 2.796 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC001336168765 1053810191 /nfs/dbraw/zinc/81/01/91/1053810191.db2.gz CRRXQTWYASRMML-NXJYUQPGSA-N 1 0 357.454 2.887 20 5 FFBDRO CN1CC[NH+](CC2CCN(c3ccc4cc([N+](=O)[O-])ccc4n3)CC2)CC1 ZINC001336494198 1054025769 /nfs/dbraw/zinc/02/57/69/1054025769.db2.gz AWWAZSKBDSJHJF-UHFFFAOYSA-N 1 0 369.469 2.607 20 5 FFBDRO COc1cccc([C@H]2CN(C(=O)c3cc(C)ccc3[N+](=O)[O-])CCN2)c1 ZINC001337379101 1054703578 /nfs/dbraw/zinc/70/35/78/1054703578.db2.gz SOYVOHKHHULFAN-QGZVFWFLSA-N 1 0 355.394 2.699 20 5 FFBDRO CC[NH+](CC)CC[C@@H](C)NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC001348855072 1054964587 /nfs/dbraw/zinc/96/45/87/1054964587.db2.gz MMUAASKXOYGHLZ-CQSZACIVSA-N 1 0 359.430 2.631 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)c2nnc(-c3cccc([N+](=O)[O-])c3C)n2C)[C@@H](C)C1 ZINC001338153338 1055275818 /nfs/dbraw/zinc/27/58/18/1055275818.db2.gz LLWFCSMTEAHQMM-BBRMVZONSA-N 1 0 372.473 2.865 20 5 FFBDRO CC[NH+](CC)CC[C@@H](C)NC(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 ZINC001349880054 1055518959 /nfs/dbraw/zinc/51/89/59/1055518959.db2.gz MYNLALXFTHZUDC-OAHLLOKOSA-N 1 0 373.457 2.690 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[N@@H+](C)[C@H](C(C)(C)C)C2)c1 ZINC001300097454 1055748583 /nfs/dbraw/zinc/74/85/83/1055748583.db2.gz OGSCYWQRYQKYTB-KRWDZBQOSA-N 1 0 363.458 2.861 20 5 FFBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1C[NH2+]C[C@H]1Cc1ccccc1 ZINC001357191720 1055815291 /nfs/dbraw/zinc/81/52/91/1055815291.db2.gz KUNRLMNZFQKUBJ-QZTJIDSGSA-N 1 0 353.422 2.632 20 5 FFBDRO C[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)CCC(=O)N2 ZINC001353232655 1056213935 /nfs/dbraw/zinc/21/39/35/1056213935.db2.gz WZRQJZPPTANXFN-KPZWWZAWSA-N 1 0 355.394 2.864 20 5 FFBDRO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001358318081 1056246082 /nfs/dbraw/zinc/24/60/82/1056246082.db2.gz OYJSWNDKUGWGBG-OAHLLOKOSA-N 1 0 368.231 2.716 20 5 FFBDRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3ccc([N+](=O)[O-])s3)n2C)C1 ZINC001339440914 1056455379 /nfs/dbraw/zinc/45/53/79/1056455379.db2.gz QXRWFXMFPQCMFM-GFCCVEGCSA-N 1 0 364.475 2.620 20 5 FFBDRO CCn1c(-c2ccc([N+](=O)[O-])o2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001339468521 1056484902 /nfs/dbraw/zinc/48/49/02/1056484902.db2.gz WLXCAVVCSYJPRO-ZDUSSCGKSA-N 1 0 360.418 2.531 20 5 FFBDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC001444945396 1058348574 /nfs/dbraw/zinc/34/85/74/1058348574.db2.gz CTRORHYJMXABCE-KBPBESRZSA-N 1 0 372.425 2.511 20 5 FFBDRO C[C@@H](COC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000847958185 1058518713 /nfs/dbraw/zinc/51/87/13/1058518713.db2.gz FJDMNUPLNVFWDI-AWEZNQCLSA-N 1 0 358.398 2.812 20 5 FFBDRO Cc1c(C(=O)OC[C@H](C)[NH+]2CCCCC2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000847960289 1058522340 /nfs/dbraw/zinc/52/23/40/1058522340.db2.gz LBJFSAHMABOKDI-ZDUSSCGKSA-N 1 0 373.413 2.515 20 5 FFBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001446876518 1058567496 /nfs/dbraw/zinc/56/74/96/1058567496.db2.gz ASZMQHQSRFOHSX-CABCVRRESA-N 1 0 351.834 2.924 20 5 FFBDRO O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCC[C@]12CC[NH2+]C2 ZINC001514567557 1058990512 /nfs/dbraw/zinc/99/05/12/1058990512.db2.gz YPELYTWIILOZEF-JOCHJYFZSA-N 1 0 361.445 2.509 20 5 FFBDRO CCCN(CC[NH+]1CCCCCC1)C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001450784551 1059051344 /nfs/dbraw/zinc/05/13/44/1059051344.db2.gz DNJUSQHXFFNREM-GOSISDBHSA-N 1 0 363.458 2.743 20 5 FFBDRO CCC(C)(C)[NH+]1CCN(C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)CC1 ZINC001452654120 1059268798 /nfs/dbraw/zinc/26/87/98/1059268798.db2.gz IEUGFSSDLQMOED-UHFFFAOYSA-N 1 0 354.838 2.777 20 5 FFBDRO C[NH+](C)[C@@H]1C[C@H](NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC001454173658 1059453890 /nfs/dbraw/zinc/45/38/90/1059453890.db2.gz NBJGKZDMQPZEAE-UONOGXRCSA-N 1 0 353.369 2.676 20 5 FFBDRO CC[N@H+](CCn1c(C)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1)C(C)C ZINC001515710726 1059757230 /nfs/dbraw/zinc/75/72/30/1059757230.db2.gz LUGPEYMRFIUEFZ-UHFFFAOYSA-N 1 0 372.473 2.788 20 5 FFBDRO O=[N+]([O-])c1ccccc1-c1cnn(CN2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000848480117 1060111692 /nfs/dbraw/zinc/11/16/92/1060111692.db2.gz NULVZOVBOFPJIB-MRXNPFEDSA-N 1 0 355.442 2.834 20 5 FFBDRO Cc1cnc(CCN(C)CN2CC[C@@H](c3ccc([N+](=O)[O-])cc3)C2=O)s1 ZINC000848482298 1060116977 /nfs/dbraw/zinc/11/69/77/1060116977.db2.gz LDSBCLPCPIFVTQ-INIZCTEOSA-N 1 0 374.466 2.808 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(c3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)C[C@@H]2C1 ZINC001355361567 1060169958 /nfs/dbraw/zinc/16/99/58/1060169958.db2.gz FVUILEFLQZFOPC-QLFBSQMISA-N 1 0 358.442 2.646 20 5 FFBDRO Cc1c(-c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2C)cccc1[N+](=O)[O-] ZINC001355398949 1060206088 /nfs/dbraw/zinc/20/60/88/1060206088.db2.gz VASRRLNQKXIRRV-UHFFFAOYSA-N 1 0 358.446 2.619 20 5 FFBDRO C[NH+](C)CCC1CCN(C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000848581276 1060310715 /nfs/dbraw/zinc/31/07/15/1060310715.db2.gz OIFHFPXBXDHVRR-UHFFFAOYSA-N 1 0 371.384 2.757 20 5 FFBDRO CCC(C)(C)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2N2CCOC2=O)CC1 ZINC000848761403 1060624093 /nfs/dbraw/zinc/62/40/93/1060624093.db2.gz SWVHDNUZISTASM-UHFFFAOYSA-N 1 0 362.430 2.862 20 5 FFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCCC[C@@H]2N2CCOCC2)c(Cl)c1 ZINC001459961339 1060858341 /nfs/dbraw/zinc/85/83/41/1060858341.db2.gz IMVJVDWVZOFOQT-IRXDYDNUSA-N 1 0 353.850 2.981 20 5 FFBDRO CCC(CC)[C@H](CNS(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C)[NH+](C)C ZINC001475200697 1060994787 /nfs/dbraw/zinc/99/47/87/1060994787.db2.gz LCPGMEKCPOAACS-INIZCTEOSA-N 1 0 371.503 2.856 20 5 FFBDRO CC[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@@H]1CCN(CC(F)(F)F)C1 ZINC001460544262 1061012628 /nfs/dbraw/zinc/01/26/28/1061012628.db2.gz VGKMEVAHYDJFNB-CYBMUJFWSA-N 1 0 361.364 2.932 20 5 FFBDRO C[C@@H]([NH2+]CC(=O)NCCO[C@H]1CCCC[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC001460769135 1061094877 /nfs/dbraw/zinc/09/48/77/1061094877.db2.gz VFXCIYOWZPSZMO-DAYGRLMNSA-N 1 0 363.458 2.957 20 5 FFBDRO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC001461366955 1061302704 /nfs/dbraw/zinc/30/27/04/1061302704.db2.gz FBGJQEMEAMSXCB-GFCCVEGCSA-N 1 0 353.419 2.854 20 5 FFBDRO C[C@H](NCc1ccc(S(N)(=O)=O)c(Cl)c1)c1ccccc1[N+](=O)[O-] ZINC001461729017 1061390651 /nfs/dbraw/zinc/39/06/51/1061390651.db2.gz JUNZIDUNGSSIBY-JTQLQIEISA-N 1 0 369.830 2.746 20 5 FFBDRO CC[NH+](CC)CC[C@H](C)NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC001529414283 1062303466 /nfs/dbraw/zinc/30/34/66/1062303466.db2.gz FRAXUFSQULWRCT-NSHDSACASA-N 1 0 366.418 2.970 20 5 FFBDRO O=C(N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc([N+](=O)[O-])s1 ZINC001523536535 1062509028 /nfs/dbraw/zinc/50/90/28/1062509028.db2.gz BYZGQLKZBXRCEO-PXAZEXFGSA-N 1 0 359.407 2.642 20 5 FFBDRO Cc1cccc(CC(=O)Nc2cc(N3CC[NH+](C)CC3)ccc2[N+](=O)[O-])c1 ZINC001439673702 1063202287 /nfs/dbraw/zinc/20/22/87/1063202287.db2.gz CWVNJPDJYDZBCY-UHFFFAOYSA-N 1 0 368.437 2.836 20 5 FFBDRO C[N@@H+]1CCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C[C@H]1C(C)(C)C ZINC001469614172 1064179597 /nfs/dbraw/zinc/17/95/97/1064179597.db2.gz ACBCGURCNXNVSP-KRWDZBQOSA-N 1 0 371.441 2.583 20 5 FFBDRO CC(C)[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC001472327332 1065017551 /nfs/dbraw/zinc/01/75/51/1065017551.db2.gz FSXBFZLRVLQPKL-SJLPKXTDSA-N 1 0 361.442 2.695 20 5 FFBDRO NC(=O)[C@@H]1CCC[N@H+](CCCNc2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC001472677868 1065125614 /nfs/dbraw/zinc/12/56/14/1065125614.db2.gz JNLRZWJFTTVYGL-LLVKDONJSA-N 1 0 374.363 2.613 20 5 FFBDRO C[NH+]1CCC(CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)(c2ccccc2)CC1 ZINC001472844466 1065155825 /nfs/dbraw/zinc/15/58/25/1065155825.db2.gz RXFCWRXFLSYPLD-UHFFFAOYSA-N 1 0 368.437 2.769 20 5 FFBDRO CCOC(=O)c1cc([N+](=O)[O-])c(N2C[C@]3(C)C[N@H+](C)C[C@]3(C)C2)cc1C ZINC001472846807 1065156922 /nfs/dbraw/zinc/15/69/22/1065156922.db2.gz GWXOLVLBMFBQKK-KDURUIRLSA-N 1 0 361.442 2.858 20 5 FFBDRO C[C@H](Cc1cccc(F)c1)N(C)C(=O)[C@@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC001576052463 1078190354 /nfs/dbraw/zinc/19/03/54/1078190354.db2.gz JPVCFTDQZMJBBX-YJYMSZOUSA-N 1 0 359.401 2.997 20 5 FFBDRO COC(=O)[C@@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@H](C)C1 ZINC001473819672 1065376876 /nfs/dbraw/zinc/37/68/76/1065376876.db2.gz MBZUSTOVTACWEY-ZIAGYGMSSA-N 1 0 363.414 2.505 20 5 FFBDRO NC(=O)[C@]12CCC[C@H]1C[N@H+](Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C2 ZINC001473836571 1065384032 /nfs/dbraw/zinc/38/40/32/1065384032.db2.gz FJJXMDWLDPYUFR-BONVTDFDSA-N 1 0 358.225 2.989 20 5 FFBDRO C[C@@H](Cc1cccnc1)[NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC001473874305 1065401249 /nfs/dbraw/zinc/40/12/49/1065401249.db2.gz CNQGVBUINPFWSC-ZDUSSCGKSA-N 1 0 356.382 2.509 20 5 FFBDRO COC(=O)[C@H](C)Oc1ccccc1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC001473988946 1065433881 /nfs/dbraw/zinc/43/38/81/1065433881.db2.gz XIONOJLOCJIHKM-AWEZNQCLSA-N 1 0 358.394 2.867 20 5 FFBDRO COc1c(O)ccc(CN2CC([N@H+](C)Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC001474567468 1065552721 /nfs/dbraw/zinc/55/27/21/1065552721.db2.gz FOWMMWDBSJEOAI-UHFFFAOYSA-N 1 0 357.410 2.625 20 5 FFBDRO COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001474742340 1065594328 /nfs/dbraw/zinc/59/43/28/1065594328.db2.gz NXSMVCLLIHZMIK-GUTXKFCHSA-N 1 0 363.414 2.633 20 5 FFBDRO Cc1cc(S(=O)(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)c(C)cc1[N+](=O)[O-] ZINC001474834552 1065620344 /nfs/dbraw/zinc/62/03/44/1065620344.db2.gz NENKCEXUSSJMJW-DOMZBBRYSA-N 1 0 369.487 2.610 20 5 FFBDRO CCC1(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC[NH2+][C@@H](C)C2)CC1 ZINC001577220497 1078318704 /nfs/dbraw/zinc/31/87/04/1078318704.db2.gz DZZZVEFFGNRUQE-AWEZNQCLSA-N 1 0 370.457 2.842 20 5 FFBDRO CC[NH2+]CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)Cc1ccoc1 ZINC001577857293 1078408319 /nfs/dbraw/zinc/40/83/19/1078408319.db2.gz GGUUXVFIJAFXKZ-UHFFFAOYSA-N 1 0 370.413 2.692 20 5 FFBDRO CC[NH2+][C@H](C)Cn1c(C2CC2)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001577896671 1078411470 /nfs/dbraw/zinc/41/14/70/1078411470.db2.gz NMZVSVQXOSKOKR-CYBMUJFWSA-N 1 0 370.457 2.624 20 5 FFBDRO COc1ccc([C@@H]2CN(C(=O)[C@H](C)c3cccc([N+](=O)[O-])c3)C[C@H]2[NH3+])cc1 ZINC001579238769 1078598343 /nfs/dbraw/zinc/59/83/43/1078598343.db2.gz AAJNCRJQWTUMOJ-ZNZDAUKMSA-N 1 0 369.421 2.660 20 5 FFBDRO Cc1nnc(N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)n1CC[C@H]1CC[NH2+]C1 ZINC001579902533 1078710784 /nfs/dbraw/zinc/71/07/84/1078710784.db2.gz IVNMAALXYNRYCB-OAHLLOKOSA-N 1 0 370.457 2.663 20 5 FFBDRO [NH3+][C@@H]1CCc2ncc(NC(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)cc2C1 ZINC001580206488 1078765032 /nfs/dbraw/zinc/76/50/32/1078765032.db2.gz CEXJKOMHRUZOOM-LLVKDONJSA-N 1 0 351.366 2.539 20 5 FFBDRO [NH3+]CCCN(Cc1ccccc1)c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC001580298581 1078782561 /nfs/dbraw/zinc/78/25/61/1078782561.db2.gz NCHHJEHNAKIGCS-UHFFFAOYSA-N 1 0 354.410 2.835 20 5 FFBDRO [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC001580366290 1078792611 /nfs/dbraw/zinc/79/26/11/1078792611.db2.gz TXZPGVZYTQZLQC-HNNXBMFYSA-N 1 0 350.378 2.535 20 5 FFBDRO O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[C@@H]1CCCCC12CC[NH2+]CC2 ZINC001580794039 1078863425 /nfs/dbraw/zinc/86/34/25/1078863425.db2.gz QCQGZDXYFRWDLD-AWEZNQCLSA-N 1 0 357.414 2.970 20 5 FFBDRO C[C@@H]1CN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CCN1c1cc[nH+]cc1 ZINC001583521089 1079227549 /nfs/dbraw/zinc/22/75/49/1079227549.db2.gz PGJQFDHIYREQNM-IJVDHGTGSA-N 1 0 352.394 2.740 20 5 FFBDRO CN(CC[N@H+](C)C1CCCCC1)C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC001584827517 1079393361 /nfs/dbraw/zinc/39/33/61/1079393361.db2.gz IMHHOPROCCONLZ-UHFFFAOYSA-N 1 0 351.422 2.999 20 5 FFBDRO CCCc1cc(C(=O)Nc2cc(N3CC[NH+](C)CC3)ccc2[N+](=O)[O-])no1 ZINC001585335668 1079453350 /nfs/dbraw/zinc/45/33/50/1079453350.db2.gz ABGHAYUZSXRYFI-UHFFFAOYSA-N 1 0 373.413 2.539 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)n1 ZINC001556897479 1075787111 /nfs/dbraw/zinc/78/71/11/1075787111.db2.gz LYDAPZQLQGEOOV-PBHICJAKSA-N 1 0 354.410 2.691 20 5 FFBDRO C[N@H+](CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[C@@H]1CCC(C)(C)C1 ZINC001559806940 1076192389 /nfs/dbraw/zinc/19/23/89/1076192389.db2.gz NLANNNBNYJYFDT-GOSISDBHSA-N 1 0 374.485 2.754 20 5 FFBDRO CC(C)OC(=O)C[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C(C)C ZINC001559949841 1076206048 /nfs/dbraw/zinc/20/60/48/1076206048.db2.gz NPHYPFYHPQDQSA-OAHLLOKOSA-N 1 0 365.430 2.879 20 5 FFBDRO COC(=O)C[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C(C)(C)C ZINC001560172590 1076241486 /nfs/dbraw/zinc/24/14/86/1076241486.db2.gz ATAMCZLCEQMBST-CYBMUJFWSA-N 1 0 371.821 2.754 20 5 FFBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH2+]C1([C@@H]2CCCO2)CCC1 ZINC001560227555 1076251543 /nfs/dbraw/zinc/25/15/43/1076251543.db2.gz QMRJGGNGNJVOBL-INIZCTEOSA-N 1 0 361.398 2.584 20 5 FFBDRO O=C(NC1(C[NH2+]Cc2ccc(Cl)cc2F)CCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001567998494 1077065314 /nfs/dbraw/zinc/06/53/14/1077065314.db2.gz NVYAGVJXZOGRFC-UKRRQHHQSA-N 1 0 369.824 2.663 20 5 FFBDRO C[C@@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC001587761206 1079858808 /nfs/dbraw/zinc/85/88/08/1079858808.db2.gz KPPSSFZYUZVZKR-GDBMZVCRSA-N 1 0 373.457 2.666 20 5 FFBDRO Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)Cc3ccccc3[N+](=O)[O-])C2)cc1 ZINC001587795322 1079866094 /nfs/dbraw/zinc/86/60/94/1079866094.db2.gz FGKZMJAHMYIQIS-GOSISDBHSA-N 1 0 353.422 2.836 20 5 FFBDRO CC(C)([NH2+]CCOc1ccc(-c2nn[nH]n2)cc1)c1ccccc1[N+](=O)[O-] ZINC001589321655 1080481817 /nfs/dbraw/zinc/48/18/17/1080481817.db2.gz ITVFWJSISOPOJJ-UHFFFAOYSA-N 1 0 368.397 2.679 20 5 FFBDRO CC(C)[C@@H](CC(F)(F)F)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001589440348 1080534299 /nfs/dbraw/zinc/53/42/99/1080534299.db2.gz VMEHFFUOQXKEKI-LLVKDONJSA-N 1 0 358.324 2.842 20 5 FFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@H](O)c1cccc(-c2nn[nH]n2)c1 ZINC001590052743 1080980710 /nfs/dbraw/zinc/98/07/10/1080980710.db2.gz TXBFOOOEOPNKBE-SJCJKPOMSA-N 1 0 368.397 2.501 20 5 FFBDRO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001590166169 1081064572 /nfs/dbraw/zinc/06/45/72/1081064572.db2.gz VTLCRCUSEVJLBZ-KCJUWKMLSA-N 1 0 356.308 2.548 20 5 FFBDRO C[N@@H+]1CCCC12CCN(c1c(Br)cncc1[N+](=O)[O-])CC2 ZINC000368880910 512118170 /nfs/dbraw/zinc/11/81/70/512118170.db2.gz BTASGDSWFJRHQL-UHFFFAOYSA-N 1 0 355.236 2.817 20 5 FFBDRO O=C(COc1ccccc1[N+](=O)[O-])NC1CC[NH+](Cc2ccccc2)CC1 ZINC000010450889 249315534 /nfs/dbraw/zinc/31/55/34/249315534.db2.gz BXYXHCGTQWYAHY-UHFFFAOYSA-N 1 0 369.421 2.754 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000093065047 250015055 /nfs/dbraw/zinc/01/50/55/250015055.db2.gz NEHPMVSDJIUXQM-UHFFFAOYSA-N 1 0 354.410 2.945 20 5 FFBDRO COc1cc(C[N@@H+]2CC[C@H](CO)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000092764793 250000698 /nfs/dbraw/zinc/00/06/98/250000698.db2.gz LSVBOGYFPZYKIF-KRWDZBQOSA-N 1 0 372.421 2.997 20 5 FFBDRO CN(C)C(=O)C1CC[NH+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000104662623 250181794 /nfs/dbraw/zinc/18/17/94/250181794.db2.gz VFTAFANHRUGJER-UHFFFAOYSA-N 1 0 372.425 2.593 20 5 FFBDRO CC[NH+]1CCN([C@H]2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)C2)CC1 ZINC000106478895 250270803 /nfs/dbraw/zinc/27/08/03/250270803.db2.gz GHHGJPCMESVXMY-AWEZNQCLSA-N 1 0 372.391 2.830 20 5 FFBDRO CC1CC[NH+](C2CCC(Nc3ncc([N+](=O)[O-])cc3C(N)=O)CC2)CC1 ZINC000132207922 251055464 /nfs/dbraw/zinc/05/54/64/251055464.db2.gz ZCDOWGKKVDTPFG-UHFFFAOYSA-N 1 0 361.446 2.544 20 5 FFBDRO C[NH+](C)CCCOc1ccc(CNC(=O)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000173518472 251198960 /nfs/dbraw/zinc/19/89/60/251198960.db2.gz OIKXFZDJIAVNAZ-UHFFFAOYSA-N 1 0 371.437 2.784 20 5 FFBDRO CN(C(=O)c1c(N)cccc1[N+](=O)[O-])C1CC[NH+](Cc2ccccc2)CC1 ZINC000181081259 251238251 /nfs/dbraw/zinc/23/82/51/251238251.db2.gz VTQYZUTYSMDIOF-UHFFFAOYSA-N 1 0 368.437 2.914 20 5 FFBDRO O=[N+]([O-])c1ccc(Br)cc1N1CC[NH+](C2CCOCC2)CC1 ZINC000268825911 251394383 /nfs/dbraw/zinc/39/43/83/251394383.db2.gz QSAKCYPQQREXSD-UHFFFAOYSA-N 1 0 370.247 2.658 20 5 FFBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000272425330 252034374 /nfs/dbraw/zinc/03/43/74/252034374.db2.gz CARKBRLVZRYJET-LRDDRELGSA-N 1 0 366.849 2.874 20 5 FFBDRO CC[C@@H](CCO)C[NH2+]Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000272465535 252046302 /nfs/dbraw/zinc/04/63/02/252046302.db2.gz RCZLCBDLPDXCCF-NSHDSACASA-N 1 0 362.373 2.746 20 5 FFBDRO C[C@@H]1CCCC[N@@H+]1CCN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272527030 252059647 /nfs/dbraw/zinc/05/96/47/252059647.db2.gz MGGNGMVKISUEHY-QAPCUYQASA-N 1 0 357.458 2.882 20 5 FFBDRO Cn1cc(CN2CC[C@H]3CC[N@H+](C)C[C@@H]32)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000272625524 252083903 /nfs/dbraw/zinc/08/39/03/252083903.db2.gz MKHXDKGSVHEZJN-KDOFPFPSSA-N 1 0 355.442 2.521 20 5 FFBDRO COc1ccc(NC(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)cc1[N+](=O)[O-] ZINC000272843892 252144407 /nfs/dbraw/zinc/14/44/07/252144407.db2.gz PDOBWHGUDKQKEK-CYBMUJFWSA-N 1 0 350.419 2.703 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000272843401 252144992 /nfs/dbraw/zinc/14/49/92/252144992.db2.gz NJAFBLDASWGZEO-CHWSQXEVSA-N 1 0 363.439 2.962 20 5 FFBDRO C[C@@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-] ZINC000273160885 252235934 /nfs/dbraw/zinc/23/59/34/252235934.db2.gz NOWDTKULKAXVGI-OLZOCXBDSA-N 1 0 361.354 2.594 20 5 FFBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000273308097 252278197 /nfs/dbraw/zinc/27/81/97/252278197.db2.gz XIEJWRYFRJJEJG-SMDDNHRTSA-N 1 0 369.874 2.893 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)cc1C ZINC000273520800 252323242 /nfs/dbraw/zinc/32/32/42/252323242.db2.gz NZNBNWNSXBDWHF-AWEZNQCLSA-N 1 0 369.487 2.562 20 5 FFBDRO CCN(CCC[NH+]1CCCC1)C(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 ZINC000276513178 256106675 /nfs/dbraw/zinc/10/66/75/256106675.db2.gz WRLJHIGTIBRLCT-UHFFFAOYSA-N 1 0 365.430 2.560 20 5 FFBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2Br)CC1 ZINC000277282144 256179964 /nfs/dbraw/zinc/17/99/64/256179964.db2.gz NLTAZFIOMQFBFX-NSHDSACASA-N 1 0 370.247 2.914 20 5 FFBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)NCC1CC[NH+](C2CC2)CC1 ZINC000278193923 256286364 /nfs/dbraw/zinc/28/63/64/256286364.db2.gz PBWGOFYQIQGJJC-UHFFFAOYSA-N 1 0 366.849 2.922 20 5 FFBDRO CCC[C@@]1(CO)CCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000277930268 256256861 /nfs/dbraw/zinc/25/68/61/256256861.db2.gz YPEDYWPKNUHIMH-KRWDZBQOSA-N 1 0 353.394 2.690 20 5 FFBDRO CC(C)N(CC(=O)N1CCCCCC1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000285786508 257004671 /nfs/dbraw/zinc/00/46/71/257004671.db2.gz SWHAKUJTVKLUGS-SFHVURJKSA-N 1 0 363.458 2.741 20 5 FFBDRO COC(=O)c1cc(NC(=O)C2CC[NH+](C3CC3)CC2)c(C)c([N+](=O)[O-])c1 ZINC000278837877 256352955 /nfs/dbraw/zinc/35/29/55/256352955.db2.gz RCYHUACSNHMGQW-UHFFFAOYSA-N 1 0 361.398 2.503 20 5 FFBDRO COc1ccccc1[C@@H](C)[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000279919325 256463725 /nfs/dbraw/zinc/46/37/25/256463725.db2.gz NDRCVLVPPQWFKQ-CYBMUJFWSA-N 1 0 355.394 2.843 20 5 FFBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000070690555 221333811 /nfs/dbraw/zinc/33/38/11/221333811.db2.gz QFWHKNUIRNFVHV-OAHLLOKOSA-N 1 0 362.455 2.755 20 5 FFBDRO CC[NH+](CC)CCN(CC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000071894783 221386263 /nfs/dbraw/zinc/38/62/63/221386263.db2.gz UNBQXFJFXGJITA-UHFFFAOYSA-N 1 0 371.503 2.892 20 5 FFBDRO COc1ccc([C@H](C[NH+](C)C)NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000285994001 257014958 /nfs/dbraw/zinc/01/49/58/257014958.db2.gz IGBOJPQFCPNHIX-SFHVURJKSA-N 1 0 357.410 2.565 20 5 FFBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000286285101 257029213 /nfs/dbraw/zinc/02/92/13/257029213.db2.gz IJZDKMSTEYKOKN-CJNGLKHVSA-N 1 0 358.442 2.550 20 5 FFBDRO COC(=O)c1cc(C)nc(NC[C@H]2CCC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000286426043 257036622 /nfs/dbraw/zinc/03/66/22/257036622.db2.gz VUAPHEOLYGRNCM-CYBMUJFWSA-N 1 0 350.419 2.617 20 5 FFBDRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000286375535 257033782 /nfs/dbraw/zinc/03/37/82/257033782.db2.gz COYUEHKMVIMAGT-UHFFFAOYSA-N 1 0 364.377 2.503 20 5 FFBDRO CCn1c(C)nc([N+](=O)[O-])c1N(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000288251907 257165965 /nfs/dbraw/zinc/16/59/65/257165965.db2.gz XUMHIZWAHCDNGJ-UHFFFAOYSA-N 1 0 372.473 2.658 20 5 FFBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000289134921 257259630 /nfs/dbraw/zinc/25/96/30/257259630.db2.gz FGIDSBXBBBTKDL-QGZVFWFLSA-N 1 0 367.833 2.619 20 5 FFBDRO COc1ccc(C[C@](C)(O)C[NH2+]Cc2csc([N+](=O)[O-])c2)cc1OC ZINC000289883349 257304613 /nfs/dbraw/zinc/30/46/13/257304613.db2.gz SATWQKWTWMCCRB-KRWDZBQOSA-N 1 0 366.439 2.757 20 5 FFBDRO CC[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@H]1CCOC(C)(C)C1 ZINC000290014166 257311290 /nfs/dbraw/zinc/31/12/90/257311290.db2.gz ZXOKCXJAAHXRQY-INIZCTEOSA-N 1 0 361.442 2.763 20 5 FFBDRO CC(C)S(=O)(=O)CC[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000290520164 257338468 /nfs/dbraw/zinc/33/84/68/257338468.db2.gz YXQDMBXEUVIRID-GOEBONIOSA-N 1 0 354.472 2.719 20 5 FFBDRO NC(=O)c1ccnc(NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000290542344 257340074 /nfs/dbraw/zinc/34/00/74/257340074.db2.gz INRMIIRZZOFURD-OAHLLOKOSA-N 1 0 369.425 2.555 20 5 FFBDRO Cc1ccc([C@H](CNc2nccc(C(N)=O)c2[N+](=O)[O-])[NH+]2CCCC2)cc1 ZINC000290672182 257351928 /nfs/dbraw/zinc/35/19/28/257351928.db2.gz RHXQDOHPLMVYTI-INIZCTEOSA-N 1 0 369.425 2.646 20 5 FFBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000290727508 257354719 /nfs/dbraw/zinc/35/47/19/257354719.db2.gz YGNWHQBMNRJDAP-GFCCVEGCSA-N 1 0 360.414 2.699 20 5 FFBDRO O=C1CN(Cc2cccc(NCc3cc([N+](=O)[O-])ccc3Cl)c2)CCN1 ZINC000291076079 257379945 /nfs/dbraw/zinc/37/99/45/257379945.db2.gz MQJADNLLZIEFBU-UHFFFAOYSA-N 1 0 374.828 2.792 20 5 FFBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292131624 257462569 /nfs/dbraw/zinc/46/25/69/257462569.db2.gz LFTUAXIRVUJDKL-YVEFUNNKSA-N 1 0 366.849 2.603 20 5 FFBDRO COc1cc(C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000294407975 257586508 /nfs/dbraw/zinc/58/65/08/257586508.db2.gz IVAGJEXVTRIIMH-CYBMUJFWSA-N 1 0 367.421 2.984 20 5 FFBDRO CC(C)[NH+]1CCC(N(C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000299533384 258002710 /nfs/dbraw/zinc/00/27/10/258002710.db2.gz HIGFHNJSTLBDAO-UHFFFAOYSA-N 1 0 359.430 2.949 20 5 FFBDRO CC(=O)c1ccc(N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)c([N+](=O)[O-])c1 ZINC000299691000 258017205 /nfs/dbraw/zinc/01/72/05/258017205.db2.gz NKGBZJDFZMHYLP-HZPDHXFCSA-N 1 0 374.485 2.792 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000302055502 258084862 /nfs/dbraw/zinc/08/48/62/258084862.db2.gz ZEMBPKJVYNNKRR-UHFFFAOYSA-N 1 0 368.865 2.972 20 5 FFBDRO CCC[NH+]1CCC(CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000302139462 258090292 /nfs/dbraw/zinc/09/02/92/258090292.db2.gz FBPDMLAXIKXUMG-UHFFFAOYSA-N 1 0 361.489 2.594 20 5 FFBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000302151067 258091022 /nfs/dbraw/zinc/09/10/22/258091022.db2.gz BOIIIVQNUUNRFL-DZGCQCFKSA-N 1 0 352.398 2.570 20 5 FFBDRO Cc1cccc(N(C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000302506969 258104200 /nfs/dbraw/zinc/10/42/00/258104200.db2.gz QTWFQQWNJUXLAJ-FQEVSTJZSA-N 1 0 355.438 2.976 20 5 FFBDRO CC[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC[N@@H+]1C[C@@H](C)O ZINC000301428787 258049551 /nfs/dbraw/zinc/04/95/51/258049551.db2.gz FEGREVFYOMLCKL-VXGBXAGGSA-N 1 0 361.364 2.895 20 5 FFBDRO CNC(=O)c1ccc(N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000301835353 258069771 /nfs/dbraw/zinc/06/97/71/258069771.db2.gz LCRKVZYVRVKOEX-AEFFLSMTSA-N 1 0 354.410 2.812 20 5 FFBDRO CC(C)C1CCC([NH+]2CCN(c3ccc4ncc([N+](=O)[O-])n4n3)CC2)CC1 ZINC000301961541 258078281 /nfs/dbraw/zinc/07/82/81/258078281.db2.gz MRROFSBEDYWSDN-UHFFFAOYSA-N 1 0 372.473 2.974 20 5 FFBDRO Cc1cc(NC2CC[NH+](CCN(C)C)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000302017995 258082341 /nfs/dbraw/zinc/08/23/41/258082341.db2.gz MLTDMWCZKDAKOB-UHFFFAOYSA-N 1 0 357.458 2.889 20 5 FFBDRO CC[N@@H+]1C[C@@H](C)N(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC000330554591 258165421 /nfs/dbraw/zinc/16/54/21/258165421.db2.gz GIDZHFJTJWHNGW-NWDGAFQWSA-N 1 0 354.838 2.601 20 5 FFBDRO CC(C)[C@@H]1CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000331148484 258178487 /nfs/dbraw/zinc/17/84/87/258178487.db2.gz NYJPZXRPKVPKJU-AWEZNQCLSA-N 1 0 370.247 2.770 20 5 FFBDRO CC(C)c1n[nH]c(C(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000331212507 258179829 /nfs/dbraw/zinc/17/98/29/258179829.db2.gz KFKYEFNLAOQMJN-FRRDWIJNSA-N 1 0 351.451 2.538 20 5 FFBDRO CC(C)c1n[nH]c(C(=O)N2CC[NH+](CCC(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000331218209 258179986 /nfs/dbraw/zinc/17/99/86/258179986.db2.gz ROXOMVWGRKSOMT-UHFFFAOYSA-N 1 0 351.451 2.635 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@@H]2CCCC[N@H+]2C[C@@H]1C ZINC000332007020 258209618 /nfs/dbraw/zinc/20/96/18/258209618.db2.gz JJQONTLPJIUVJF-RDJZCZTQSA-N 1 0 360.458 2.790 20 5 FFBDRO CCc1ccc(C(=O)N2C[C@@H](SC)[C@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000332080885 258212938 /nfs/dbraw/zinc/21/29/38/258212938.db2.gz KRJNBONUVZTIQY-IAGOWNOFSA-N 1 0 363.483 2.809 20 5 FFBDRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000332343499 258226212 /nfs/dbraw/zinc/22/62/12/258226212.db2.gz SRCLUXCLRCDYFD-UONOGXRCSA-N 1 0 368.231 2.714 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000332547190 258234635 /nfs/dbraw/zinc/23/46/35/258234635.db2.gz NNGJUNVARGBUOF-DOTOQJQBSA-N 1 0 362.430 2.653 20 5 FFBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000064960352 506246553 /nfs/dbraw/zinc/24/65/53/506246553.db2.gz UIRVHUMDEPEKHC-ZDUSSCGKSA-N 1 0 369.487 2.692 20 5 FFBDRO C[N@H+](CCCNC(=O)COc1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000032766055 506291912 /nfs/dbraw/zinc/29/19/12/506291912.db2.gz SZIPXUPOTJKVDY-UHFFFAOYSA-N 1 0 357.410 2.612 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@]2(C1)C(=O)Nc1ccccc12 ZINC000375320298 512266075 /nfs/dbraw/zinc/26/60/75/512266075.db2.gz QCEKJHQHWPVUJM-LJQANCHMSA-N 1 0 353.378 2.699 20 5 FFBDRO CCCC[N@H+](C)CC1CCN(c2ccc(C(=O)NC)cc2[N+](=O)[O-])CC1 ZINC000053574779 506409165 /nfs/dbraw/zinc/40/91/65/506409165.db2.gz PSDDCPDBHBULQW-UHFFFAOYSA-N 1 0 362.474 2.903 20 5 FFBDRO C[NH+]1CCC(NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000054678379 506603229 /nfs/dbraw/zinc/60/32/29/506603229.db2.gz GFCYZESMURWCJW-UHFFFAOYSA-N 1 0 374.363 2.626 20 5 FFBDRO CC[NH+](CC)[C@H](CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)c1ccco1 ZINC000067275223 506812941 /nfs/dbraw/zinc/81/29/41/506812941.db2.gz XUWUHWSXFUTYOI-OAHLLOKOSA-N 1 0 371.397 2.877 20 5 FFBDRO C[C@H](CNC(=O)CSc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(C)CC1 ZINC000067273144 506812987 /nfs/dbraw/zinc/81/29/87/506812987.db2.gz GYZJFZPKFZDLIU-CQSZACIVSA-N 1 0 351.472 2.924 20 5 FFBDRO CC(C)(C)CC[NH+]1CCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 ZINC000055934250 506891637 /nfs/dbraw/zinc/89/16/37/506891637.db2.gz GFDPJRSXOSIKQK-UHFFFAOYSA-N 1 0 374.485 2.538 20 5 FFBDRO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)NC(=O)NC1CCCCC1 ZINC000056196798 506959896 /nfs/dbraw/zinc/95/98/96/506959896.db2.gz UIONTTTZJZBCKB-STQMWFEESA-N 1 0 362.430 2.792 20 5 FFBDRO COc1ccccc1[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]1)[NH+]1CCCCC1 ZINC000056341951 506991149 /nfs/dbraw/zinc/99/11/49/506991149.db2.gz XAWXRBQYWOXFIQ-QGZVFWFLSA-N 1 0 372.425 2.889 20 5 FFBDRO COc1ccc(CC(=O)Nc2ccc(OCC[NH+](C)C)cc2)cc1[N+](=O)[O-] ZINC000067816407 507018036 /nfs/dbraw/zinc/01/80/36/507018036.db2.gz FQLOAFWLTYUMSK-UHFFFAOYSA-N 1 0 373.409 2.725 20 5 FFBDRO CCc1ccc([C@H](CNc2ccc(C(N)=O)cc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000015129049 507022273 /nfs/dbraw/zinc/02/22/73/507022273.db2.gz OUPHSDDEKKDLNG-SFHVURJKSA-N 1 0 356.426 2.971 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000056519608 507036507 /nfs/dbraw/zinc/03/65/07/507036507.db2.gz ZNYXUAWRUPAZGT-QWHCGFSZSA-N 1 0 350.419 2.845 20 5 FFBDRO CC[N@H+](C)Cc1cccc(CNC(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000067910592 507049932 /nfs/dbraw/zinc/04/99/32/507049932.db2.gz UOGRRSKQYUVFQS-UHFFFAOYSA-N 1 0 371.437 2.914 20 5 FFBDRO C[C@@H](Nc1ccc(C(=O)NC[C@@H](C)[NH+](C)C)cc1[N+](=O)[O-])c1ccccn1 ZINC000068064322 507096811 /nfs/dbraw/zinc/09/68/11/507096811.db2.gz MXQLFATVYPIDJO-ZIAGYGMSSA-N 1 0 371.441 2.843 20 5 FFBDRO CC[C@@H](CNC(=O)c1cc([N+](=O)[O-])cnc1C)[N@@H+]1CCc2ccccc2C1 ZINC000046246583 507104630 /nfs/dbraw/zinc/10/46/30/507104630.db2.gz GTHDUUDKQDSMJQ-KRWDZBQOSA-N 1 0 368.437 2.865 20 5 FFBDRO COc1ccc(CC(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000068111160 507116121 /nfs/dbraw/zinc/11/61/21/507116121.db2.gz XZNSYXPEUAOVLI-LIRRHRJNSA-N 1 0 363.458 2.773 20 5 FFBDRO C[NH+](C)CCOc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000056890143 507116346 /nfs/dbraw/zinc/11/63/46/507116346.db2.gz MYJBAZDTQAQOOB-UHFFFAOYSA-N 1 0 361.373 2.604 20 5 FFBDRO O=C(COc1cccc([N+](=O)[O-])c1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000046376640 507125309 /nfs/dbraw/zinc/12/53/09/507125309.db2.gz NPAHXZQHAAIIHD-UHFFFAOYSA-N 1 0 369.421 2.886 20 5 FFBDRO Cc1cccc(N2CC[NH+](CCCNc3ccc([N+](=O)[O-])cn3)CC2)c1 ZINC000046485365 507142913 /nfs/dbraw/zinc/14/29/13/507142913.db2.gz ODDQOBACAGNOHQ-UHFFFAOYSA-N 1 0 355.442 2.922 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N(C)C3CC[NH+](C)CC3)cc2[N+](=O)[O-])CC1 ZINC000068192781 507144847 /nfs/dbraw/zinc/14/48/47/507144847.db2.gz QQUNVERHCNQVRC-UHFFFAOYSA-N 1 0 374.485 2.997 20 5 FFBDRO O=C(NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1ccc([N+](=O)[O-])cn1 ZINC000373419702 512321656 /nfs/dbraw/zinc/32/16/56/512321656.db2.gz WRZIOMUFRMAETB-UHFFFAOYSA-N 1 0 372.347 2.525 20 5 FFBDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000068387687 507212689 /nfs/dbraw/zinc/21/26/89/507212689.db2.gz TWLAMTSJOJAONQ-CQSZACIVSA-N 1 0 373.457 2.772 20 5 FFBDRO CCCc1n[nH]c(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c1[N+](=O)[O-] ZINC000068667618 507294894 /nfs/dbraw/zinc/29/48/94/507294894.db2.gz CSRQUQNSLSPEKM-UHFFFAOYSA-N 1 0 371.441 2.796 20 5 FFBDRO COc1ccc(OCC[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000047911108 507411990 /nfs/dbraw/zinc/41/19/90/507411990.db2.gz UNDPVFFDNCPODK-UHFFFAOYSA-N 1 0 357.410 2.804 20 5 FFBDRO CC[N@H+](CCc1ccc([N+](=O)[O-])cc1)CC(=O)NCc1ccc(F)cc1 ZINC000051326290 507762709 /nfs/dbraw/zinc/76/27/09/507762709.db2.gz QBEXCKZTUNKPIZ-UHFFFAOYSA-N 1 0 359.401 2.915 20 5 FFBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000063711019 507763263 /nfs/dbraw/zinc/76/32/63/507763263.db2.gz BFLVLAPRRNEHES-HNNXBMFYSA-N 1 0 358.442 2.786 20 5 FFBDRO C[NH+](C)[C@@H](CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CC1 ZINC000051375713 507765209 /nfs/dbraw/zinc/76/52/09/507765209.db2.gz HIFHGHMEKQHQMC-HNNXBMFYSA-N 1 0 360.439 2.788 20 5 FFBDRO C[NH+](C)[C@@H](CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])c1cccs1 ZINC000029186094 507767973 /nfs/dbraw/zinc/76/79/73/507767973.db2.gz SBRRFXCHRMLLBK-AWEZNQCLSA-N 1 0 359.411 2.608 20 5 FFBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000063758655 507768514 /nfs/dbraw/zinc/76/85/14/507768514.db2.gz FWOHDACXEMKQFC-IYBDPMFKSA-N 1 0 363.458 2.848 20 5 FFBDRO COc1ccc(C[N@H+](Cc2ccc(C(N)=O)cc2)C2CC2)cc1[N+](=O)[O-] ZINC000051475224 507772211 /nfs/dbraw/zinc/77/22/11/507772211.db2.gz RBALBVZAZGBDAD-UHFFFAOYSA-N 1 0 355.394 2.867 20 5 FFBDRO Cc1cc(C(=O)NCC2([NH+]3CCSCC3)CCCC2)ccc1[N+](=O)[O-] ZINC000031960581 507822520 /nfs/dbraw/zinc/82/25/20/507822520.db2.gz ZENDRKIYEUDAPZ-UHFFFAOYSA-N 1 0 363.483 2.995 20 5 FFBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CCc3ccc4c(c3)CCO4)C2)nc1 ZINC000072665288 507840431 /nfs/dbraw/zinc/84/04/31/507840431.db2.gz NKDZEGWFHSGXHX-INIZCTEOSA-N 1 0 354.410 2.654 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)cnc1NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000089644542 507853319 /nfs/dbraw/zinc/85/33/19/507853319.db2.gz KLDXLFRYXUQKOJ-HUUCEWRRSA-N 1 0 362.817 2.691 20 5 FFBDRO CNc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000078429124 507870304 /nfs/dbraw/zinc/87/03/04/507870304.db2.gz NVTUGXNXOISGSW-UHFFFAOYSA-N 1 0 356.426 2.841 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCCC[C@H]2CCc2ccccc2)c1 ZINC000090010440 507900924 /nfs/dbraw/zinc/90/09/24/507900924.db2.gz GBJGMYMBMSWLBS-HKUYNNGSSA-N 1 0 358.442 2.640 20 5 FFBDRO CCC[C@H]([NH2+][C@@H]1CCN(c2cc(C)nn2C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000090121634 507910084 /nfs/dbraw/zinc/91/00/84/507910084.db2.gz WFTJEOFSUDQTFJ-DLBZAZTESA-N 1 0 371.441 2.873 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000079056859 507929108 /nfs/dbraw/zinc/92/91/08/507929108.db2.gz CFKDURFAYVRLFX-UHFFFAOYSA-N 1 0 358.398 2.987 20 5 FFBDRO C[C@@H](CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)[NH+]1CCC(C)CC1 ZINC000109290358 507952628 /nfs/dbraw/zinc/95/26/28/507952628.db2.gz WKMUCTXNERMDOZ-HNNXBMFYSA-N 1 0 371.441 2.631 20 5 FFBDRO C[C@@H](CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)[N@@H+]1CCC[C@H](C)C1 ZINC000109291397 507953039 /nfs/dbraw/zinc/95/30/39/507953039.db2.gz OQDCHXWRUJVNLF-GJZGRUSLSA-N 1 0 371.441 2.631 20 5 FFBDRO C[C@H]1CCCN(c2ccc(C(=O)N3CCC([NH+](C)C)CC3)cc2[N+](=O)[O-])C1 ZINC000073842804 507960747 /nfs/dbraw/zinc/96/07/47/507960747.db2.gz JUDCHNUKUXMNCP-HNNXBMFYSA-N 1 0 374.485 2.997 20 5 FFBDRO CC(C)[NH+]1CCC(N(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000109893331 507995478 /nfs/dbraw/zinc/99/54/78/507995478.db2.gz DSJNUDAHSPKGLV-UHFFFAOYSA-N 1 0 368.865 2.991 20 5 FFBDRO C[C@H](CNC(=O)COc1ccccc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000110351213 508022024 /nfs/dbraw/zinc/02/20/24/508022024.db2.gz MJXVKFZMZHOJCA-OAHLLOKOSA-N 1 0 357.410 2.610 20 5 FFBDRO Cc1cc([N+](=O)[O-])cnc1NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000111178879 508075932 /nfs/dbraw/zinc/07/59/32/508075932.db2.gz XCBSYIZOOSUPLL-UHFFFAOYSA-N 1 0 369.469 2.918 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CC[C@@H](C[NH+]3CCOCC3)C2)cc1C(F)(F)F ZINC000080650627 508091244 /nfs/dbraw/zinc/09/12/44/508091244.db2.gz AERQLCBSTNGWQJ-LBPRGKRZSA-N 1 0 359.348 2.772 20 5 FFBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)C1 ZINC000075329204 508098467 /nfs/dbraw/zinc/09/84/67/508098467.db2.gz OKUQDFJXAFYYJE-ZDUSSCGKSA-N 1 0 364.402 2.615 20 5 FFBDRO Cc1c(NC(=O)CC[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)cccc1[N+](=O)[O-] ZINC000080959607 508117108 /nfs/dbraw/zinc/11/71/08/508117108.db2.gz AKDWPACILQYNDU-AWEZNQCLSA-N 1 0 357.414 2.835 20 5 FFBDRO C[C@@H]1C[C@@H]1c1ccc(C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C2CC2)o1 ZINC000075588834 508120287 /nfs/dbraw/zinc/12/02/87/508120287.db2.gz FSMPWCOSJHILKC-PVUWLOKVSA-N 1 0 360.414 2.533 20 5 FFBDRO CCCc1n[nH]c(C(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000081122303 508140345 /nfs/dbraw/zinc/14/03/45/508140345.db2.gz JTBQCPLUQDAFIT-OAHLLOKOSA-N 1 0 371.441 2.617 20 5 FFBDRO CC(=O)Nc1ccc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000093534396 508148277 /nfs/dbraw/zinc/14/82/77/508148277.db2.gz DXJUBCHCGLGIGL-MRXNPFEDSA-N 1 0 355.398 2.635 20 5 FFBDRO Cc1cccn2c(C[N@@H+]3CC[C@H](Nc4ccc([N+](=O)[O-])cn4)C3)cnc12 ZINC000093534523 508148517 /nfs/dbraw/zinc/14/85/17/508148517.db2.gz WLRYMAKURGFNPU-AWEZNQCLSA-N 1 0 352.398 2.632 20 5 FFBDRO COCC[N@H+](C)CCCC1CC[NH+](Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000093769385 508154522 /nfs/dbraw/zinc/15/45/22/508154522.db2.gz WXKDDHNDVKABKV-UHFFFAOYSA-N 1 0 365.474 2.871 20 5 FFBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000081332049 508163531 /nfs/dbraw/zinc/16/35/31/508163531.db2.gz UYLYJUIJBSEJBF-INIZCTEOSA-N 1 0 374.485 2.999 20 5 FFBDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000081534134 508187181 /nfs/dbraw/zinc/18/71/81/508187181.db2.gz YABSQSOXKZQYKL-KRWDZBQOSA-N 1 0 368.437 2.740 20 5 FFBDRO CC1CC[NH+](C[C@@H]2CCCN(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)CC1 ZINC000112657861 508206695 /nfs/dbraw/zinc/20/66/95/508206695.db2.gz PQWFTVIPYSUPIJ-INIZCTEOSA-N 1 0 374.485 2.638 20 5 FFBDRO CC1CC[NH+]([C@H](CNc2ncc([N+](=O)[O-])c(N)n2)c2cccs2)CC1 ZINC000076460117 508209280 /nfs/dbraw/zinc/20/92/80/508209280.db2.gz NUNNRWWLEQUUNG-GFCCVEGCSA-N 1 0 362.459 2.914 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](CCO)CCc1ccccc1 ZINC000112698552 508210729 /nfs/dbraw/zinc/21/07/29/508210729.db2.gz MDSHPMCZLCIDLR-UHFFFAOYSA-N 1 0 371.437 2.769 20 5 FFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000076553448 508223228 /nfs/dbraw/zinc/22/32/28/508223228.db2.gz VMTAQQFQWYXACZ-GFCCVEGCSA-N 1 0 359.348 2.772 20 5 FFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000367204490 512384564 /nfs/dbraw/zinc/38/45/64/512384564.db2.gz DABJWLYUILPJAF-FQEVSTJZSA-N 1 0 368.437 2.940 20 5 FFBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CC[C@@H](C[NH+](C)C)C2)CC1 ZINC000114147833 508296490 /nfs/dbraw/zinc/29/64/90/508296490.db2.gz HGKYPKHSTDWXQT-INIZCTEOSA-N 1 0 374.485 2.855 20 5 FFBDRO NC(=O)c1ccc(C[N@H+](CCCO)[C@@H]2CCc3ccccc32)c([N+](=O)[O-])c1 ZINC000114193974 508299423 /nfs/dbraw/zinc/29/94/23/508299423.db2.gz NTFBAXYEUBAMTJ-GOSISDBHSA-N 1 0 369.421 2.566 20 5 FFBDRO C[C@@H]1C[NH+](CCCCNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000085457858 508309678 /nfs/dbraw/zinc/30/96/78/508309678.db2.gz STOVDBPNMBZSAO-CHWSQXEVSA-N 1 0 369.849 2.867 20 5 FFBDRO O=C(COc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000114642916 508333379 /nfs/dbraw/zinc/33/33/79/508333379.db2.gz RPIQEFHMGPCLLL-GOSISDBHSA-N 1 0 369.421 2.754 20 5 FFBDRO O=C(CC1([NH+]2CCOCC2)CCCC1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088252146 508361494 /nfs/dbraw/zinc/36/14/94/508361494.db2.gz YTJLEGIPPNPNFA-UHFFFAOYSA-N 1 0 373.453 2.515 20 5 FFBDRO CCC[NH+]1CCC(CNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC000088546317 508375639 /nfs/dbraw/zinc/37/56/39/508375639.db2.gz KFTVPADRVDRWSJ-UHFFFAOYSA-N 1 0 360.458 2.785 20 5 FFBDRO C[NH+](C)[C@@H](CNC(=O)CCNc1ccccc1[N+](=O)[O-])c1cccc(F)c1 ZINC000105599406 508377518 /nfs/dbraw/zinc/37/75/18/508377518.db2.gz WKGSREDHVWDAJW-SFHVURJKSA-N 1 0 374.416 2.955 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH+](C3CCC(C)CC3)CC2)c1 ZINC000115255688 508378709 /nfs/dbraw/zinc/37/87/09/508378709.db2.gz IEZRCLPGKYVDDL-UHFFFAOYSA-N 1 0 361.442 2.940 20 5 FFBDRO CCOC(=O)c1ccnc(NCCC[N@@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000077905332 508390773 /nfs/dbraw/zinc/39/07/73/508390773.db2.gz JCRDHGYYPOPUDB-ZDUSSCGKSA-N 1 0 350.419 2.843 20 5 FFBDRO COc1cc(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)ccc1[N+](=O)[O-] ZINC000115417056 508392606 /nfs/dbraw/zinc/39/26/06/508392606.db2.gz XARMGWHLQPWTIS-UHFFFAOYSA-N 1 0 361.373 2.734 20 5 FFBDRO CCOCCC[N@@H+]1CC[C@@H](Nc2nc3sccn3c2[N+](=O)[O-])[C@H](C)C1 ZINC000115521392 508405108 /nfs/dbraw/zinc/40/51/08/508405108.db2.gz PGQQUFPRUIGPID-CHWSQXEVSA-N 1 0 367.475 2.853 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(N2CCC(OCC[NH+]3CCCC3)CC2)c(F)c1 ZINC000121746849 508409692 /nfs/dbraw/zinc/40/96/92/508409692.db2.gz GYIBZQFAASXELY-UHFFFAOYSA-N 1 0 355.385 2.954 20 5 FFBDRO COc1ccc(CSCC(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000121777899 508416893 /nfs/dbraw/zinc/41/68/93/508416893.db2.gz ILDASFVZGLHBQO-OCCSQVGLSA-N 1 0 367.471 2.565 20 5 FFBDRO CC[C@H]1CN(C)c2ccccc2C[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000127261552 508422595 /nfs/dbraw/zinc/42/25/95/508422595.db2.gz MGHLCOGMEZJBBY-KRWDZBQOSA-N 1 0 368.437 2.924 20 5 FFBDRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000121929813 508451578 /nfs/dbraw/zinc/45/15/78/508451578.db2.gz JINAPMZUIYJRCM-QMTHXVAHSA-N 1 0 370.247 2.628 20 5 FFBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000156688061 508462319 /nfs/dbraw/zinc/46/23/19/508462319.db2.gz CELXJNXCAQZVCB-LRDDRELGSA-N 1 0 372.400 2.566 20 5 FFBDRO COCCC[NH+]1CCC(NC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000127605263 508475493 /nfs/dbraw/zinc/47/54/93/508475493.db2.gz VDBGSIMNZOYCBU-UHFFFAOYSA-N 1 0 364.446 2.834 20 5 FFBDRO C[C@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CC[N@@H+]1C ZINC000127658561 508482887 /nfs/dbraw/zinc/48/28/87/508482887.db2.gz MNHINQYJDLCRGJ-GJZGRUSLSA-N 1 0 360.458 2.750 20 5 FFBDRO C[C@H](CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)[NH+]1CCC(C)CC1 ZINC000122370928 508524328 /nfs/dbraw/zinc/52/43/28/508524328.db2.gz NURRDTNUKRCGAW-OAHLLOKOSA-N 1 0 371.441 2.631 20 5 FFBDRO CNC(=O)C1CC[NH+](Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)CC1 ZINC000122531488 508549715 /nfs/dbraw/zinc/54/97/15/508549715.db2.gz HONKGRNQHKWQKX-UHFFFAOYSA-N 1 0 373.409 2.821 20 5 FFBDRO C[C@@H](CNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000116748329 508554113 /nfs/dbraw/zinc/55/41/13/508554113.db2.gz VDGOALYDABQWEC-NSHDSACASA-N 1 0 355.822 2.616 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000134918824 508575495 /nfs/dbraw/zinc/57/54/95/508575495.db2.gz SPTFVWARVUCHDM-HOCLYGCPSA-N 1 0 369.421 2.996 20 5 FFBDRO CSC[C@H]1CCC[N@@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000135484938 508611398 /nfs/dbraw/zinc/61/13/98/508611398.db2.gz SDNLLFSPTILDPG-CYBMUJFWSA-N 1 0 351.428 2.720 20 5 FFBDRO COc1cc(C[NH2+][C@H](C)[C@H](C)CO)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000123216623 508653585 /nfs/dbraw/zinc/65/35/85/508653585.db2.gz MMDZLICPBRLMTO-NXEZZACHSA-N 1 0 366.336 2.651 20 5 FFBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3ccc(-n4ccnc4)cc3)C2)nc1 ZINC000118866041 508687678 /nfs/dbraw/zinc/68/76/78/508687678.db2.gz NTDPNJNHCNGKAK-INIZCTEOSA-N 1 0 364.409 2.862 20 5 FFBDRO C[C@@H]1C[N@@H+](CCCCNC(=O)c2cccc(Cl)c2[N+](=O)[O-])C[C@H](C)O1 ZINC000123626890 508716811 /nfs/dbraw/zinc/71/68/11/508716811.db2.gz XKUMXXYQHVMOEH-BETUJISGSA-N 1 0 369.849 2.867 20 5 FFBDRO C[N@@H+]1CCC[C@H]2CN(Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)CC[C@@H]21 ZINC000158593465 508725422 /nfs/dbraw/zinc/72/54/22/508725422.db2.gz SPPLINHUNNJSBU-HOCLYGCPSA-N 1 0 357.414 2.561 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2nc(CN3CC[NH+](C4CCOCC4)CC3)co2)cc1 ZINC000119269767 508760689 /nfs/dbraw/zinc/76/06/89/508760689.db2.gz IRLZKFHPGUNUOL-UHFFFAOYSA-N 1 0 372.425 2.546 20 5 FFBDRO COCC[N@H+](C)CCCC1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000129742064 508760798 /nfs/dbraw/zinc/76/07/98/508760798.db2.gz WKQYCAKHPDGLGV-UHFFFAOYSA-N 1 0 369.487 2.867 20 5 FFBDRO Cc1sc(S(=O)(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)cc1[N+](=O)[O-] ZINC000124077134 508780289 /nfs/dbraw/zinc/78/02/89/508780289.db2.gz HVVYBGDZIHUWSY-GFCCVEGCSA-N 1 0 363.505 2.609 20 5 FFBDRO Nc1ccc(C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)cc1[N+](=O)[O-] ZINC000140179078 508800679 /nfs/dbraw/zinc/80/06/79/508800679.db2.gz KKXPBZHBGLVALX-CYBMUJFWSA-N 1 0 374.466 2.881 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](OCC(C)C)C1 ZINC000119874305 508881421 /nfs/dbraw/zinc/88/14/21/508881421.db2.gz JEULZMRYLIHUQN-HNNXBMFYSA-N 1 0 365.430 2.679 20 5 FFBDRO CN(Cc1cn(C)nc1C(F)(F)F)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000155001540 508901027 /nfs/dbraw/zinc/90/10/27/508901027.db2.gz DBKKRYMNZCMEMW-CYBMUJFWSA-N 1 0 358.320 2.513 20 5 FFBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000120110563 508930631 /nfs/dbraw/zinc/93/06/31/508930631.db2.gz FQVYEZATUAFGMT-NSHDSACASA-N 1 0 370.247 2.819 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000125379317 508974813 /nfs/dbraw/zinc/97/48/13/508974813.db2.gz NMNIODQFXIBEPG-CALCHBBNSA-N 1 0 374.485 2.534 20 5 FFBDRO CCOc1ccc(NC(=O)C[N@H+](C)CCC2CCOCC2)c([N+](=O)[O-])c1 ZINC000120622823 509033626 /nfs/dbraw/zinc/03/36/26/509033626.db2.gz YDOOYIMCMKODNY-UHFFFAOYSA-N 1 0 365.430 2.681 20 5 FFBDRO O=C(NCC1CC[NH2+]CC1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000120654861 509039180 /nfs/dbraw/zinc/03/91/80/509039180.db2.gz OPDKEEDUFWUXBB-UHFFFAOYSA-N 1 0 368.437 2.936 20 5 FFBDRO COc1ccc(CNC(=O)C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000160984774 509056497 /nfs/dbraw/zinc/05/64/97/509056497.db2.gz PFYSRKDEBHOBIE-AWEZNQCLSA-N 1 0 357.410 2.879 20 5 FFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000120794459 509065740 /nfs/dbraw/zinc/06/57/40/509065740.db2.gz PGBWBUNZQONXGB-AWEZNQCLSA-N 1 0 374.466 2.767 20 5 FFBDRO CC(C)(C)[N@@H+](Cc1ccc(F)cc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000132775493 509073941 /nfs/dbraw/zinc/07/39/41/509073941.db2.gz DOTWZZBCOXXNMR-INIZCTEOSA-N 1 0 350.394 2.592 20 5 FFBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000120880542 509081743 /nfs/dbraw/zinc/08/17/43/509081743.db2.gz DKTZESCLBANQOU-GOSISDBHSA-N 1 0 360.458 2.797 20 5 FFBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)CN2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000151782581 509081939 /nfs/dbraw/zinc/08/19/39/509081939.db2.gz OAUBAUOTASBPRK-OXQOHEQNSA-N 1 0 369.465 2.973 20 5 FFBDRO C[C@H]([NH2+]C[C@@H](O)CN1CCc2ccccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000151801269 509085616 /nfs/dbraw/zinc/08/56/16/509085616.db2.gz BQPQZHQVFITUOO-MGPUTAFESA-N 1 0 355.438 2.665 20 5 FFBDRO CSCC[C@@H](C)[N@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000126605194 509101645 /nfs/dbraw/zinc/10/16/45/509101645.db2.gz MQRSOHGBAUZDSV-GFCCVEGCSA-N 1 0 353.444 2.966 20 5 FFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCN(c2ccccn2)C1 ZINC000161449210 509116682 /nfs/dbraw/zinc/11/66/82/509116682.db2.gz IXHSDOPLKWKGJD-KBPBESRZSA-N 1 0 372.450 2.866 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])cc2OC)[C@H](C)C1 ZINC000156108523 509128557 /nfs/dbraw/zinc/12/85/57/509128557.db2.gz BEEDVTMZOPOBMS-DOMZBBRYSA-N 1 0 350.419 2.797 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)cc1SC ZINC000156224221 509146763 /nfs/dbraw/zinc/14/67/63/509146763.db2.gz SGEWQCAGXJFVFI-QWRGUYRKSA-N 1 0 353.444 2.525 20 5 FFBDRO CC[C@H]([NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000162104444 509172538 /nfs/dbraw/zinc/17/25/38/509172538.db2.gz CHBMZGUAZOZEQK-AWEZNQCLSA-N 1 0 369.468 2.676 20 5 FFBDRO C[C@@H]1C[NH+](CC2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)C[C@@H](C)O1 ZINC000263846385 509183853 /nfs/dbraw/zinc/18/38/53/509183853.db2.gz XIIANHNCOMBFEI-HUUCEWRRSA-N 1 0 361.442 2.556 20 5 FFBDRO C[C@H]1C[NH+](CC2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000263848897 509184472 /nfs/dbraw/zinc/18/44/72/509184472.db2.gz YDGCJQRNUDRFET-GJZGRUSLSA-N 1 0 361.442 2.556 20 5 FFBDRO CC[NH+]1CCN(Cc2ccc(CNc3ncc([N+](=O)[O-])s3)cc2)CC1 ZINC000195508956 509202781 /nfs/dbraw/zinc/20/27/81/509202781.db2.gz ZFCUPKXBBKFRDN-UHFFFAOYSA-N 1 0 361.471 2.801 20 5 FFBDRO C[N@@H+]1CC[C@@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)[C@H]1c1ccccc1 ZINC000248029578 509219884 /nfs/dbraw/zinc/21/98/84/509219884.db2.gz KAUABHDMDALFDP-SJLPKXTDSA-N 1 0 365.393 2.646 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000162466171 509230886 /nfs/dbraw/zinc/23/08/86/509230886.db2.gz PAIUGWZMRQKLHI-KBPBESRZSA-N 1 0 350.419 2.524 20 5 FFBDRO C[C@@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@H]1COc2ccccc21 ZINC000185566484 509239974 /nfs/dbraw/zinc/23/99/74/509239974.db2.gz NMIGNNCACCKLJS-CXAGYDPISA-N 1 0 367.405 2.638 20 5 FFBDRO C[C@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@@H]1COc2ccccc21 ZINC000185566424 509241164 /nfs/dbraw/zinc/24/11/64/509241164.db2.gz NMIGNNCACCKLJS-GUYCJALGSA-N 1 0 367.405 2.638 20 5 FFBDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000172834651 509263909 /nfs/dbraw/zinc/26/39/09/509263909.db2.gz DZQVCOODAGTLJP-OAHLLOKOSA-N 1 0 371.441 2.727 20 5 FFBDRO CC[NH+]1CCC(NC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000264006897 509276467 /nfs/dbraw/zinc/27/64/67/509276467.db2.gz DCBYBEQOVLUKHL-UHFFFAOYSA-N 1 0 353.444 2.539 20 5 FFBDRO C[N@@H+]1CC[C@H](NC(=O)NCCc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1 ZINC000179132791 509279409 /nfs/dbraw/zinc/27/94/09/509279409.db2.gz RYKUPPNLPHJJEU-OALUTQOASA-N 1 0 368.437 2.882 20 5 FFBDRO CCOC(=O)C[C@@H](C)[N@H+](C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000182625239 509340658 /nfs/dbraw/zinc/34/06/58/509340658.db2.gz MEXGCAPEGOINFN-GFCCVEGCSA-N 1 0 351.403 2.505 20 5 FFBDRO C[NH+](C)CCOc1ccc(CCNC(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000264161265 509357231 /nfs/dbraw/zinc/35/72/31/509357231.db2.gz BITHGBIKSSYGHI-UHFFFAOYSA-N 1 0 363.439 2.569 20 5 FFBDRO CN(Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)CC1([NH+](C)C)CCC1 ZINC000189008015 509366103 /nfs/dbraw/zinc/36/61/03/509366103.db2.gz PUAXZLPZRWGXQR-UHFFFAOYSA-N 1 0 357.458 2.911 20 5 FFBDRO C[C@H](CNC(=O)CSc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000227817812 509414602 /nfs/dbraw/zinc/41/46/02/509414602.db2.gz PQWOJKFYCBQVLY-ZIAGYGMSSA-N 1 0 351.472 2.924 20 5 FFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000229181543 509424174 /nfs/dbraw/zinc/42/41/74/509424174.db2.gz BNDYFRKGTIRYMI-TZMCWYRMSA-N 1 0 366.849 2.745 20 5 FFBDRO O=C1CCCN1C[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000179557920 509509826 /nfs/dbraw/zinc/50/98/26/509509826.db2.gz IRIZWMSNVHNZEM-MOPGFXCFSA-N 1 0 369.421 2.582 20 5 FFBDRO C[NH+](C)CCCC1CCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC1 ZINC000182973095 509524721 /nfs/dbraw/zinc/52/47/21/509524721.db2.gz KMSJVWMNELCQDE-UHFFFAOYSA-N 1 0 363.414 2.518 20 5 FFBDRO CC[NH+]1CCN([C@@H]2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2)CC1 ZINC000264440533 509529515 /nfs/dbraw/zinc/52/95/15/509529515.db2.gz WSQVTFLLCSOQOP-CQSZACIVSA-N 1 0 372.391 2.830 20 5 FFBDRO COC[C@H]1C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H](C)O1 ZINC000189417501 509565478 /nfs/dbraw/zinc/56/54/78/509565478.db2.gz CUEPSRLOYXNLML-XJKSGUPXSA-N 1 0 361.398 2.528 20 5 FFBDRO C[NH2+]C[C@H]1CCCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000237086242 509568359 /nfs/dbraw/zinc/56/83/59/509568359.db2.gz QCKQLTDOMJHBTR-GFCCVEGCSA-N 1 0 360.439 2.790 20 5 FFBDRO COc1cc(C[NH2+]CCSC)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000237146239 509581598 /nfs/dbraw/zinc/58/15/98/509581598.db2.gz JDWLHSXJKHHULG-UHFFFAOYSA-N 1 0 354.350 2.997 20 5 FFBDRO C[NH+](C)CCCOc1cccc(NC(=O)c2cccc([N+](=O)[O-])c2N)c1 ZINC000176622255 509613650 /nfs/dbraw/zinc/61/36/50/509613650.db2.gz RGKRQOVNGZWQJG-UHFFFAOYSA-N 1 0 358.398 2.760 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000264668866 509635836 /nfs/dbraw/zinc/63/58/36/509635836.db2.gz AHJBBEGPSXYVBB-UHFFFAOYSA-N 1 0 361.442 2.668 20 5 FFBDRO C[NH+](C)CCCCNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000267951082 509684387 /nfs/dbraw/zinc/68/43/87/509684387.db2.gz WKVFYXNDELGSET-UHFFFAOYSA-N 1 0 362.199 2.568 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000249474352 509689784 /nfs/dbraw/zinc/68/97/84/509689784.db2.gz JEAYUQVOYFNGJR-LSDHHAIUSA-N 1 0 369.487 2.562 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000237631171 509696631 /nfs/dbraw/zinc/69/66/31/509696631.db2.gz HENLTFRYWOKOPS-LOWVWBTDSA-N 1 0 355.822 2.649 20 5 FFBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N[C@@H]3CCC[NH2+]C3)cc2[N+](=O)[O-])C1 ZINC000237692202 509711737 /nfs/dbraw/zinc/71/17/37/509711737.db2.gz DXYJCTMYEUZGQO-IJEWVQPXSA-N 1 0 360.458 2.559 20 5 FFBDRO Cn1cc(C[NH2+]CCOCC(F)(F)F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237785159 509734549 /nfs/dbraw/zinc/73/45/49/509734549.db2.gz AAUQWYZWCONSEX-UHFFFAOYSA-N 1 0 358.320 2.664 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000249783706 509762162 /nfs/dbraw/zinc/76/21/62/509762162.db2.gz QVWFQQUIBIJMAR-KGLIPLIRSA-N 1 0 364.446 2.523 20 5 FFBDRO O=C(NCCC[NH+]1CCCCC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000176927480 509769472 /nfs/dbraw/zinc/76/94/72/509769472.db2.gz UPTMHAHJYSDVTM-UHFFFAOYSA-N 1 0 370.247 2.963 20 5 FFBDRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000237931200 509776141 /nfs/dbraw/zinc/77/61/41/509776141.db2.gz WOBVNIHRWSTKJN-GXTWGEPZSA-N 1 0 360.439 2.966 20 5 FFBDRO [NH3+][C@@H](CCC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccccc1 ZINC000237927371 509776662 /nfs/dbraw/zinc/77/66/62/509776662.db2.gz INKZZKIHWNZVPJ-KRWDZBQOSA-N 1 0 368.437 2.724 20 5 FFBDRO C[C@@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H](c1ccccc1)[NH+](C)C ZINC000186585248 509785809 /nfs/dbraw/zinc/78/58/09/509785809.db2.gz VRRNGDGNBLTBFT-DYVFJYSZSA-N 1 0 363.439 2.565 20 5 FFBDRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237993900 509793833 /nfs/dbraw/zinc/79/38/33/509793833.db2.gz YIILSMIXWOJCBF-OCCSQVGLSA-N 1 0 360.439 2.966 20 5 FFBDRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000238023692 509801872 /nfs/dbraw/zinc/80/18/72/509801872.db2.gz YIILSMIXWOJCBF-TZMCWYRMSA-N 1 0 360.439 2.966 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])[C@H](C)C1 ZINC000190007474 509881440 /nfs/dbraw/zinc/88/14/40/509881440.db2.gz JEAYUQVOYFNGJR-CABCVRRESA-N 1 0 369.487 2.562 20 5 FFBDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183620615 509891047 /nfs/dbraw/zinc/89/10/47/509891047.db2.gz SYVCSPFQSRSITM-UHFFFAOYSA-N 1 0 370.413 2.694 20 5 FFBDRO CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])C1 ZINC000190027392 509893277 /nfs/dbraw/zinc/89/32/77/509893277.db2.gz DQQDLCQAKLIQIU-HNNXBMFYSA-N 1 0 369.487 2.564 20 5 FFBDRO O=[N+]([O-])c1ccn(CC[N@H+](Cc2ccccc2)C[C@@H](O)c2ccco2)n1 ZINC000177160261 509910604 /nfs/dbraw/zinc/91/06/04/509910604.db2.gz JQWUUMHGUVGFOF-MRXNPFEDSA-N 1 0 356.382 2.620 20 5 FFBDRO Cn1cccc1[C@H]1CCCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000245407838 509910881 /nfs/dbraw/zinc/91/08/81/509910881.db2.gz DDDWLHPUNDTHLB-VQIMIIECSA-N 1 0 359.426 2.900 20 5 FFBDRO Cc1ccc(C)c(S(=O)(=O)N(CC[NH+](C)C)C2CCCC2)c1[N+](=O)[O-] ZINC000190070944 509921209 /nfs/dbraw/zinc/92/12/09/509921209.db2.gz RBCZQUUSQLTTQV-UHFFFAOYSA-N 1 0 369.487 2.707 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCNCc3ccccc32)c1C ZINC000261648572 510013859 /nfs/dbraw/zinc/01/38/59/510013859.db2.gz JHNRIUJCFWQWPK-UHFFFAOYSA-N 1 0 361.423 2.510 20 5 FFBDRO NC(=O)c1ccc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000174245893 510022436 /nfs/dbraw/zinc/02/24/36/510022436.db2.gz YVNYWJDXIQYFGI-UHFFFAOYSA-N 1 0 355.394 2.737 20 5 FFBDRO Cc1csc(=O)n1CC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174247919 510023938 /nfs/dbraw/zinc/02/39/38/510023938.db2.gz DKUCNOPJTASWRN-UHFFFAOYSA-N 1 0 363.439 2.670 20 5 FFBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000265443708 510057639 /nfs/dbraw/zinc/05/76/39/510057639.db2.gz AGUFLYAOXWNGMB-QWHCGFSZSA-N 1 0 368.865 2.849 20 5 FFBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000265456968 510064115 /nfs/dbraw/zinc/06/41/15/510064115.db2.gz QZHDEUOGVVMYNG-UHFFFAOYSA-N 1 0 373.409 2.525 20 5 FFBDRO Cn1c(Sc2ccc([N+](=O)[O-])cc2Cl)nnc1[C@H]1CCC[NH2+]C1 ZINC000265468961 510071485 /nfs/dbraw/zinc/07/14/85/510071485.db2.gz OWJAIORDNLECDP-VIFPVBQESA-N 1 0 353.835 2.995 20 5 FFBDRO C[C@@H](C[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1nccs1 ZINC000184013101 510087049 /nfs/dbraw/zinc/08/70/49/510087049.db2.gz SMGDPOUMUPCBHZ-JSGCOSHPSA-N 1 0 351.428 2.527 20 5 FFBDRO COc1ccc(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000193834339 510091325 /nfs/dbraw/zinc/09/13/25/510091325.db2.gz GCLKSJCVFYVHNG-INIZCTEOSA-N 1 0 369.421 2.855 20 5 FFBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000193894604 510118379 /nfs/dbraw/zinc/11/83/79/510118379.db2.gz FQIPKMRJFYBGQX-HUUCEWRRSA-N 1 0 369.487 2.631 20 5 FFBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccc(NS(C)(=O)=O)cc1 ZINC000268960674 510163274 /nfs/dbraw/zinc/16/32/74/510163274.db2.gz VOYCGICWQCYQKO-ZDUSSCGKSA-N 1 0 363.439 2.860 20 5 FFBDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc([N+](=O)[O-])cc1Br ZINC000265757259 510212952 /nfs/dbraw/zinc/21/29/52/510212952.db2.gz JHWQPNODCMDALK-ZIAGYGMSSA-N 1 0 368.231 2.714 20 5 FFBDRO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1ccc([N+](=O)[O-])cc1Br)C2 ZINC000174679136 510247742 /nfs/dbraw/zinc/24/77/42/510247742.db2.gz RCQKTBPMJOANGZ-CMPLNLGQSA-N 1 0 368.231 2.666 20 5 FFBDRO O=[N+]([O-])c1ccc(NC[C@H](O)C[NH+]2CCCCC2)c(Br)c1 ZINC000174684399 510250305 /nfs/dbraw/zinc/25/03/05/510250305.db2.gz HCGIIJBRQVKQOH-LBPRGKRZSA-N 1 0 358.236 2.616 20 5 FFBDRO O=C(NC[C@@H]1[NH2+]CCc2ccccc21)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000262375909 510260411 /nfs/dbraw/zinc/26/04/11/510260411.db2.gz MICNFZXYKZDNGT-SFHVURJKSA-N 1 0 366.421 2.786 20 5 FFBDRO Cc1ccc([C@@H](CNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)[NH+](C)C)cc1 ZINC000181070922 510267327 /nfs/dbraw/zinc/26/73/27/510267327.db2.gz HEQUMOOZCUEINF-MRXNPFEDSA-N 1 0 371.393 2.665 20 5 FFBDRO COc1cc(C(=O)NC2CC[NH+](C(C)(C)C)CC2)c([N+](=O)[O-])cc1OC ZINC000194284926 510295353 /nfs/dbraw/zinc/29/53/53/510295353.db2.gz REWLTINEYIXACM-UHFFFAOYSA-N 1 0 365.430 2.605 20 5 FFBDRO CN(C[C@@H]1CCC[N@H+](C)C1)c1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000265936167 510311374 /nfs/dbraw/zinc/31/13/74/510311374.db2.gz FCPNCCQEBLHMIW-OAHLLOKOSA-N 1 0 360.458 2.609 20 5 FFBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)cc1 ZINC000174802336 510320344 /nfs/dbraw/zinc/32/03/44/510320344.db2.gz OSGHTEAUTRCOQW-QGZVFWFLSA-N 1 0 372.421 2.878 20 5 FFBDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000262579196 510322558 /nfs/dbraw/zinc/32/25/58/510322558.db2.gz LHMCIVLXSGPQSA-SRVKXCTJSA-N 1 0 355.822 2.601 20 5 FFBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)NC[C@H]3CC[N@H+](C)C3)cc2[N+](=O)[O-])C1 ZINC000246154456 510325070 /nfs/dbraw/zinc/32/50/70/510325070.db2.gz KQLWXKXSDWELGB-OWCLPIDISA-N 1 0 374.485 2.759 20 5 FFBDRO C[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(N2CCOC2=O)cc1 ZINC000181280588 510336472 /nfs/dbraw/zinc/33/64/72/510336472.db2.gz SDWFVTJGQQDSPW-SCLBCKFNSA-N 1 0 371.393 2.936 20 5 FFBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N[C@H]3CCC[C@H]3C[NH3+])cc2[N+](=O)[O-])C1 ZINC000262629809 510342255 /nfs/dbraw/zinc/34/22/55/510342255.db2.gz NBNDHUGMPLLITB-FSDCSDTHSA-N 1 0 374.485 2.934 20 5 FFBDRO CC(C)c1n[nH]c(C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)c1[N+](=O)[O-] ZINC000269377962 510372331 /nfs/dbraw/zinc/37/23/31/510372331.db2.gz OCHYSHYDDKPJKW-ZDUSSCGKSA-N 1 0 363.393 2.613 20 5 FFBDRO C[C@@H]([NH2+]C1(CNC(=O)Cn2cc([N+](=O)[O-])cn2)CCCC1)c1ccccc1 ZINC000171827167 510395000 /nfs/dbraw/zinc/39/50/00/510395000.db2.gz KRGOBRLHVQJHLB-OAHLLOKOSA-N 1 0 371.441 2.571 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000194567883 510427448 /nfs/dbraw/zinc/42/74/48/510427448.db2.gz QPURYKUEHNHMAM-UHFFFAOYSA-N 1 0 357.410 2.774 20 5 FFBDRO C[C@H]1C[C@H](NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000262848720 510439305 /nfs/dbraw/zinc/43/93/05/510439305.db2.gz JTULMMSMUYROKW-CMPLNLGQSA-N 1 0 374.363 2.672 20 5 FFBDRO Cn1cc(C[NH2+]C[C@@H](CO)c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000175050356 510460378 /nfs/dbraw/zinc/46/03/78/510460378.db2.gz BNFKWXIFLBIBRQ-SFHVURJKSA-N 1 0 366.421 2.861 20 5 FFBDRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)c3cccc([N+](=O)[O-])c3N)C2)CC1 ZINC000178183338 510475988 /nfs/dbraw/zinc/47/59/88/510475988.db2.gz JEJMENFTIPAJEF-HNNXBMFYSA-N 1 0 360.458 2.761 20 5 FFBDRO CN1CCC([NH+]2CCC(Nc3c(F)cc([N+](=O)[O-])cc3F)CC2)CC1 ZINC000269647622 510498280 /nfs/dbraw/zinc/49/82/80/510498280.db2.gz PTPYPEOGRMNWAW-UHFFFAOYSA-N 1 0 354.401 2.844 20 5 FFBDRO COC(=O)c1oc([C@H](C)[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1C ZINC000246572627 510562862 /nfs/dbraw/zinc/56/28/62/510562862.db2.gz BYAIICYGMHFCGC-QWHCGFSZSA-N 1 0 374.397 2.925 20 5 FFBDRO C[NH2+][C@@H]1CCCN(C(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC000246571917 510563523 /nfs/dbraw/zinc/56/35/23/510563523.db2.gz BRTAJSADOWHCHI-HLLBOEOZSA-N 1 0 374.485 2.901 20 5 FFBDRO O=C(NCCC[NH+]1CCCCC1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000178430436 510599623 /nfs/dbraw/zinc/59/96/23/510599623.db2.gz FLRWUPYEKBIFKI-UHFFFAOYSA-N 1 0 370.247 2.963 20 5 FFBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)NCCOc2ccccc2)cc1[N+](=O)[O-] ZINC000181830381 510615417 /nfs/dbraw/zinc/61/54/17/510615417.db2.gz DHOPQQWELWSCAR-HNNXBMFYSA-N 1 0 357.410 2.749 20 5 FFBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H](CO)C[C@@H](O)c2ccccc2)c1 ZINC000269960797 510621030 /nfs/dbraw/zinc/62/10/30/510621030.db2.gz UZJANGFSGKGIRQ-RHSMWYFYSA-N 1 0 350.802 2.822 20 5 FFBDRO CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000191373860 510627691 /nfs/dbraw/zinc/62/76/91/510627691.db2.gz LXIDLIDJOLOCQV-JKSUJKDBSA-N 1 0 365.430 2.725 20 5 FFBDRO CC(C)C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)[NH+](C)C ZINC000181876171 510635838 /nfs/dbraw/zinc/63/58/38/510635838.db2.gz DMVZFRAQRBSIPE-LBPRGKRZSA-N 1 0 359.373 2.902 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@@H]2c2ccc(Cl)cc2)c1 ZINC000246730091 510639593 /nfs/dbraw/zinc/63/95/93/510639593.db2.gz MVZOVJDKHONBLT-HZPDHXFCSA-N 1 0 350.806 2.643 20 5 FFBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cccc1[N+](=O)[O-] ZINC000270046928 510651485 /nfs/dbraw/zinc/65/14/85/510651485.db2.gz UBVRZXCSLRIJCX-CLROSIBMSA-N 1 0 359.426 2.777 20 5 FFBDRO Cc1ccc([C@@H](C)NC(=O)[C@H]([NH2+]C2CCOCC2)C(C)C)cc1[N+](=O)[O-] ZINC000175458046 510654555 /nfs/dbraw/zinc/65/45/55/510654555.db2.gz MJGZPDPWYPVFNP-RDTXWAMCSA-N 1 0 363.458 2.874 20 5 FFBDRO Cc1sc(C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000266621333 510693348 /nfs/dbraw/zinc/69/33/48/510693348.db2.gz DZXYMCVOPLRLPT-UHFFFAOYSA-N 1 0 367.471 2.682 20 5 FFBDRO C[C@@H]([NH2+][C@@H]1CC(=O)N(CCOc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000178658633 510707034 /nfs/dbraw/zinc/70/70/34/510707034.db2.gz WESHMRAWRWGPEA-NVXWUHKLSA-N 1 0 369.421 2.925 20 5 FFBDRO C[C@@H]([NH2+][C@H]1CC(=O)N(CCOc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000178658672 510707667 /nfs/dbraw/zinc/70/76/67/510707667.db2.gz WESHMRAWRWGPEA-WBVHZDCISA-N 1 0 369.421 2.925 20 5 FFBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2cc(F)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000246883648 510727374 /nfs/dbraw/zinc/72/73/74/510727374.db2.gz TYBFDUPMYZJKEF-BBRMVZONSA-N 1 0 367.421 2.601 20 5 FFBDRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000246914902 510743045 /nfs/dbraw/zinc/74/30/45/510743045.db2.gz INPLEWFYGKULQB-HIFRSBDPSA-N 1 0 351.834 2.876 20 5 FFBDRO CC[N@H+](CC(=O)[O-])C1CCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000263550660 510745936 /nfs/dbraw/zinc/74/59/36/510745936.db2.gz KOQPVOGXEPZPHW-UHFFFAOYSA-N 1 0 372.425 2.827 20 5 FFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000185298432 510795862 /nfs/dbraw/zinc/79/58/62/510795862.db2.gz LNEGVGVUBPTELS-IBGZPJMESA-N 1 0 368.437 2.939 20 5 FFBDRO O=C(CCN1CCC[N@@H+](C2CCCC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000172584428 510805242 /nfs/dbraw/zinc/80/52/42/510805242.db2.gz QVXOBYFSJSWYKL-UHFFFAOYSA-N 1 0 360.458 2.874 20 5 FFBDRO C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000178865200 510810395 /nfs/dbraw/zinc/81/03/95/510810395.db2.gz TZGBHDXNICAWOI-CVEARBPZSA-N 1 0 365.430 2.569 20 5 FFBDRO CS(=O)(=O)[C@H]1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000282264131 510907505 /nfs/dbraw/zinc/90/75/05/510907505.db2.gz CAGZOZRDJPQTLJ-ZDUSSCGKSA-N 1 0 366.464 2.942 20 5 FFBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000270736790 510967784 /nfs/dbraw/zinc/96/77/84/510967784.db2.gz BPTONHHXDUEKQN-OAHLLOKOSA-N 1 0 362.474 2.976 20 5 FFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CCCc2nn(C)cc21 ZINC000282421198 510969773 /nfs/dbraw/zinc/96/97/73/510969773.db2.gz LTKNAZFOEWYDFV-LRDDRELGSA-N 1 0 357.414 2.713 20 5 FFBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000279313148 511042272 /nfs/dbraw/zinc/04/22/72/511042272.db2.gz OPCMKOMCYNLNJT-YMTOWFKASA-N 1 0 355.797 2.529 20 5 FFBDRO CN(Cc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000362253499 511154990 /nfs/dbraw/zinc/15/49/90/511154990.db2.gz DWKGTYVKDFUMMQ-QGZVFWFLSA-N 1 0 366.893 2.849 20 5 FFBDRO CC(=O)Nc1cccc(OCC[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000294763061 511169370 /nfs/dbraw/zinc/16/93/70/511169370.db2.gz MQIJRAIHJSQGFA-GFCCVEGCSA-N 1 0 358.398 2.865 20 5 FFBDRO C[C@H]1C[C@H](N(C)C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)CC[N@@H+]1C ZINC000294934735 511226311 /nfs/dbraw/zinc/22/63/11/511226311.db2.gz LEVDQBITTNXWDI-SWLSCSKDSA-N 1 0 357.414 2.540 20 5 FFBDRO CC(=O)c1ccc(OC[C@H](O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000271719645 511299317 /nfs/dbraw/zinc/29/93/17/511299317.db2.gz XNLLLXVCXFTWAL-SCLBCKFNSA-N 1 0 358.394 2.888 20 5 FFBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000363026745 511306050 /nfs/dbraw/zinc/30/60/50/511306050.db2.gz MPRFWZOOZVMRJA-HUUCEWRRSA-N 1 0 358.442 2.552 20 5 FFBDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000291764046 511327959 /nfs/dbraw/zinc/32/79/59/511327959.db2.gz DHYROVJPWRFRTQ-SNVBAGLBSA-N 1 0 358.236 2.816 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@@H](C[NH+](C)C)Oc2ccccc21 ZINC000365273296 511355251 /nfs/dbraw/zinc/35/52/51/511355251.db2.gz YZUINGZITVRRJY-CQSZACIVSA-N 1 0 371.393 2.573 20 5 FFBDRO CC(C)(C)[NH+]1CCC(Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000298746790 511397148 /nfs/dbraw/zinc/39/71/48/511397148.db2.gz SKVYDFBRZILKHW-UHFFFAOYSA-N 1 0 355.460 2.673 20 5 FFBDRO C[N@H+]1CC=C(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CC1 ZINC000272027853 511406712 /nfs/dbraw/zinc/40/67/12/511406712.db2.gz WCXSDNHTGGALSA-UHFFFAOYSA-N 1 0 358.442 2.577 20 5 FFBDRO CCOc1cc(N2CCN(CC[C@@H]3CCC[N@@H+]3C)CC2)ccc1[N+](=O)[O-] ZINC000280322630 511420799 /nfs/dbraw/zinc/42/07/99/511420799.db2.gz YNQBIXCJRJIOPR-INIZCTEOSA-N 1 0 362.474 2.600 20 5 FFBDRO CN(CC1CC[NH+](C)CC1)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000272216222 511467899 /nfs/dbraw/zinc/46/78/99/511467899.db2.gz FZPJXEYBTKDEKO-UHFFFAOYSA-N 1 0 368.865 2.774 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCc1ccncc1OCCC[NH+](C)C ZINC000292138203 511480130 /nfs/dbraw/zinc/48/01/30/511480130.db2.gz SJCZFEHBEXNJPH-UHFFFAOYSA-N 1 0 372.425 2.559 20 5 FFBDRO C[C@@H](CO)[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)CC1CCC1 ZINC000280494460 511487491 /nfs/dbraw/zinc/48/74/91/511487491.db2.gz MNQFBWMIVCTQSK-LBPRGKRZSA-N 1 0 353.394 2.545 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCC(c3cccc(Cl)c3)CC2)c1 ZINC000280531490 511500798 /nfs/dbraw/zinc/50/07/98/511500798.db2.gz OZUCJIJAFZHKRZ-KRWDZBQOSA-N 1 0 364.833 2.685 20 5 FFBDRO Cc1c(NC(=O)CC[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)cccc1[N+](=O)[O-] ZINC000295820143 511525183 /nfs/dbraw/zinc/52/51/83/511525183.db2.gz BWOVBUYQCYUDPG-FSPWUOQZSA-N 1 0 359.426 2.779 20 5 FFBDRO CON(C)C(=O)C1CCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000292333446 511556130 /nfs/dbraw/zinc/55/61/30/511556130.db2.gz NEXLOBKOIUPAHX-UHFFFAOYSA-N 1 0 358.398 2.688 20 5 FFBDRO Cc1c(NC(=O)CC[N@H+]2CCC[C@@H](c3nccn3C)C2)cccc1[N+](=O)[O-] ZINC000365625975 511567757 /nfs/dbraw/zinc/56/77/57/511567757.db2.gz IUUOGPVIVOMLBV-OAHLLOKOSA-N 1 0 371.441 2.845 20 5 FFBDRO Cn1ccnc1[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000365633067 511571636 /nfs/dbraw/zinc/57/16/36/511571636.db2.gz URKOPWBWVHRRDF-ZDUSSCGKSA-N 1 0 358.398 2.574 20 5 FFBDRO COc1cc(C[NH2+]C[C@@H]2CCOC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000299471042 511649382 /nfs/dbraw/zinc/64/93/82/511649382.db2.gz AQVUMMODSLPXNN-JTQLQIEISA-N 1 0 364.320 2.671 20 5 FFBDRO O=C(c1ccc2c[nH+]cn2c1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000284245535 511655561 /nfs/dbraw/zinc/65/55/61/511655561.db2.gz FXKTVDMBHDENMI-UHFFFAOYSA-N 1 0 366.377 2.926 20 5 FFBDRO O=[N+]([O-])c1ccn(C2CC[NH+](CCc3nc(-c4ccccc4)no3)CC2)n1 ZINC000365817891 511667763 /nfs/dbraw/zinc/66/77/63/511667763.db2.gz CTYQJQAGFYROQO-UHFFFAOYSA-N 1 0 368.397 2.721 20 5 FFBDRO C[C@@H](c1ccccc1)[NH+]1CCC(Nc2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000301314227 511694288 /nfs/dbraw/zinc/69/42/88/511694288.db2.gz LEXVRKZCYBLABD-ZDUSSCGKSA-N 1 0 369.425 2.726 20 5 FFBDRO COc1cc(CN2CCC[C@@H](O)[C@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000296402845 511729584 /nfs/dbraw/zinc/72/95/84/511729584.db2.gz UWDSOQCCWLTOCI-ZWNOBZJWSA-N 1 0 360.357 2.593 20 5 FFBDRO CN1C(=O)CCc2cc(C[NH+]3CCC(n4ccc([N+](=O)[O-])n4)CC3)ccc21 ZINC000366032083 511796834 /nfs/dbraw/zinc/79/68/34/511796834.db2.gz VKJNGKBLJAELDQ-UHFFFAOYSA-N 1 0 369.425 2.537 20 5 FFBDRO C[N@@H+]1CCC[C@@]2(CCN(Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)C2)C1 ZINC000293001157 511801783 /nfs/dbraw/zinc/80/17/83/511801783.db2.gz OWCODVMRMAGMHX-GOSISDBHSA-N 1 0 357.414 2.563 20 5 FFBDRO COc1c(-c2nc([C@H]3C[N@@H+]4CCC[C@]4(C)CO3)no2)cccc1[N+](=O)[O-] ZINC000350402004 511802566 /nfs/dbraw/zinc/80/25/66/511802566.db2.gz RRQDZJNPNZZUDP-CXAGYDPISA-N 1 0 360.370 2.579 20 5 FFBDRO COC(=O)COc1ccc([C@H](C)[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000274417662 511827770 /nfs/dbraw/zinc/82/77/70/511827770.db2.gz DBTVUEQTIUBJBK-UGSOOPFHSA-N 1 0 374.393 2.531 20 5 FFBDRO C[C@H]([NH2+]CC(=O)Nc1cccc(C(=O)N(C)C)c1)c1ccc([N+](=O)[O-])cc1 ZINC000296678903 511849608 /nfs/dbraw/zinc/84/96/08/511849608.db2.gz HYDKPYFOOHVTFK-ZDUSSCGKSA-N 1 0 370.409 2.586 20 5 FFBDRO CN(C(=O)c1ccc([N+](=O)[O-])cn1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000366140008 511863035 /nfs/dbraw/zinc/86/30/35/511863035.db2.gz FVZCJUOMVWSFSS-UHFFFAOYSA-N 1 0 354.410 2.726 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H](C[NH+](C)C)Oc3ccccc32)c1 ZINC000366163368 511875981 /nfs/dbraw/zinc/87/59/81/511875981.db2.gz JYXPLVZPAYBDND-AWEZNQCLSA-N 1 0 371.393 2.573 20 5 FFBDRO C[C@H]([NH2+][C@H]1CCC[C@@H]1CCO)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000284823328 511885791 /nfs/dbraw/zinc/88/57/91/511885791.db2.gz AGOBNISPPSGBRR-WDMOLILDSA-N 1 0 355.822 2.716 20 5 FFBDRO C[C@H]([NH2+]CC(=O)Nc1ccc(C(=O)N(C)C)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000296785089 511895968 /nfs/dbraw/zinc/89/59/68/511895968.db2.gz SIMWTFXLMILGQE-ZDUSSCGKSA-N 1 0 370.409 2.586 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H]([NH3+])C2)c1 ZINC000296878796 511934061 /nfs/dbraw/zinc/93/40/61/511934061.db2.gz FJVLZMUENSCMOQ-DOTOQJQBSA-N 1 0 357.385 2.999 20 5 FFBDRO O=[N+]([O-])c1cc(-c2nc(-c3ccn4c[nH+]cc4c3)no2)ccc1-n1cncn1 ZINC000351108057 511957056 /nfs/dbraw/zinc/95/70/56/511957056.db2.gz TZFHMSUXLGMUFH-UHFFFAOYSA-N 1 0 374.320 2.540 20 5 FFBDRO Cc1nc(NCC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)ncc1[N+](=O)[O-] ZINC000296940176 511957992 /nfs/dbraw/zinc/95/79/92/511957992.db2.gz BPGWXJDYULSRLA-GOSISDBHSA-N 1 0 371.441 2.551 20 5 FFBDRO C[C@@H](c1cnccn1)[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000274860783 511967856 /nfs/dbraw/zinc/96/78/56/511967856.db2.gz UEDQEISRMSTCQR-ZDUSSCGKSA-N 1 0 367.413 2.534 20 5 FFBDRO CCOC(=O)c1csc(CC[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)n1 ZINC000285134662 512012683 /nfs/dbraw/zinc/01/26/83/512012683.db2.gz LOYLRFPDCYRHPV-JTQLQIEISA-N 1 0 364.427 2.704 20 5 FFBDRO C[C@@H]([NH2+][C@H](CN1CCOCC1)c1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293617657 512028668 /nfs/dbraw/zinc/02/86/68/512028668.db2.gz GYRPGTMXNMVDCM-DNVCBOLYSA-N 1 0 370.453 2.901 20 5 FFBDRO C[C@@H]([NH2+][C@H]1CCN(Cc2ccccc2)C1=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285281478 512063241 /nfs/dbraw/zinc/06/32/41/512063241.db2.gz RGZUUYUOGNSINE-DYVFJYSZSA-N 1 0 354.410 2.629 20 5 FFBDRO C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCS1(=O)=O ZINC000293810232 512089473 /nfs/dbraw/zinc/08/94/73/512089473.db2.gz DZRCDUHSZGYYCQ-FZMZJTMJSA-N 1 0 350.396 2.520 20 5 FFBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000375868800 512545952 /nfs/dbraw/zinc/54/59/52/512545952.db2.gz GXWOVWQCZMCERP-ZBFHGGJFSA-N 1 0 354.410 2.881 20 5 FFBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000378192616 512631470 /nfs/dbraw/zinc/63/14/70/512631470.db2.gz UGJVYPACLFYAHK-OLZOCXBDSA-N 1 0 368.231 2.714 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1CCC(c2ccccn2)CC1 ZINC000367834398 512682216 /nfs/dbraw/zinc/68/22/16/512682216.db2.gz WUMGVWDVRVMFFD-MRXNPFEDSA-N 1 0 357.410 2.609 20 5 FFBDRO CN(c1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000376175520 512695365 /nfs/dbraw/zinc/69/53/65/512695365.db2.gz WYDGNRPRRGDRCL-XYPWUTKMSA-N 1 0 358.442 2.548 20 5 FFBDRO COCC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1cncs1 ZINC000411678493 512753529 /nfs/dbraw/zinc/75/35/29/512753529.db2.gz SESYHHQOAZFMEL-UHFFFAOYSA-N 1 0 364.427 2.529 20 5 FFBDRO NC(=O)c1ccc(C[N@@H+]2CCC[C@@]3(C2)OCc2ccccc23)c([N+](=O)[O-])c1 ZINC000372272177 512791382 /nfs/dbraw/zinc/79/13/82/512791382.db2.gz GDLQHJOTEKFODF-FQEVSTJZSA-N 1 0 367.405 2.715 20 5 FFBDRO NC(=O)c1ccc(C[NH2+][C@@H](c2ccccc2)[C@@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000378529113 512808750 /nfs/dbraw/zinc/80/87/50/512808750.db2.gz UDRBQJUCUFCFIY-AEFFLSMTSA-N 1 0 355.394 2.561 20 5 FFBDRO Cn1ncc2c1CCC[N@H+](CCc1ncc(-c3cccc([N+](=O)[O-])c3)o1)C2 ZINC000411861833 512849051 /nfs/dbraw/zinc/84/90/51/512849051.db2.gz XSEFFQZFTNAWOQ-UHFFFAOYSA-N 1 0 367.409 2.974 20 5 FFBDRO COc1ccc(OCC[N@@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000411949309 512885897 /nfs/dbraw/zinc/88/58/97/512885897.db2.gz QKBABSOVNRSZHP-DOTOQJQBSA-N 1 0 358.394 2.790 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](C)[C@](C)(OC)C1CC1 ZINC000411969380 512895038 /nfs/dbraw/zinc/89/50/38/512895038.db2.gz LJJHYKNCMMKECM-SGTLLEGYSA-N 1 0 365.430 2.725 20 5 FFBDRO CO[C@@](C)([C@@H](C)[NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)C1CC1 ZINC000411973505 512897679 /nfs/dbraw/zinc/89/76/79/512897679.db2.gz RUMVCPXZCSBFFT-XIKOKIGWSA-N 1 0 363.414 2.686 20 5 FFBDRO CNc1c(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000389892133 512903211 /nfs/dbraw/zinc/90/32/11/512903211.db2.gz WOLVNSRVWOVZMD-PBHICJAKSA-N 1 0 368.437 2.887 20 5 FFBDRO Cn1cc([C@@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)c2ccccc2)cn1 ZINC000374623303 512922746 /nfs/dbraw/zinc/92/27/46/512922746.db2.gz NEVCNEUFXSAFGZ-OALUTQOASA-N 1 0 352.394 2.741 20 5 FFBDRO O=C(N[C@@H]1CC12CC[NH2+]CC2)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000368386584 512924610 /nfs/dbraw/zinc/92/46/10/512924610.db2.gz YNRNOJGCSURSCT-CQSZACIVSA-N 1 0 358.423 2.590 20 5 FFBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)N(C)C[C@H]1C ZINC000408003323 512982659 /nfs/dbraw/zinc/98/26/59/512982659.db2.gz DZSIQOLWKVYIFY-NXEZZACHSA-N 1 0 370.247 2.830 20 5 FFBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCN(c3ccccc3C(N)=O)C2)cc1[N+](=O)[O-] ZINC000370636645 513026381 /nfs/dbraw/zinc/02/63/81/513026381.db2.gz SAGGRCATVZYJQD-HOCLYGCPSA-N 1 0 368.437 2.932 20 5 FFBDRO O=[N+]([O-])c1ccc2oc(CN3CC[C@](O)(c4ccc(F)cc4)C3)nc2c1 ZINC000374898548 513061172 /nfs/dbraw/zinc/06/11/72/513061172.db2.gz ODWFQCAURHCSKF-GOSISDBHSA-N 1 0 357.341 2.969 20 5 FFBDRO O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N[C@H]1CCC[NH2+]CC1 ZINC000368720304 513075954 /nfs/dbraw/zinc/07/59/54/513075954.db2.gz XDSKZYSUXWXLOL-LBPRGKRZSA-N 1 0 374.363 2.674 20 5 FFBDRO CN(C(=O)C[NH2+][C@H](c1ccccc1)[C@@H]1CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000374990126 513100298 /nfs/dbraw/zinc/10/02/98/513100298.db2.gz LSVNJUAOWYYMHH-OXQOHEQNSA-N 1 0 369.421 2.925 20 5 FFBDRO C[C@H](NC(=O)NCc1ccnc(-n2ccnc2)c1)c1cccc([N+](=O)[O-])c1 ZINC000368823735 513114421 /nfs/dbraw/zinc/11/44/21/513114421.db2.gz MOMYJTVWCMSODW-ZDUSSCGKSA-N 1 0 366.381 2.736 20 5 FFBDRO Cc1nc(NCC2([NH+]3CCSCC3)CCCCC2)ncc1[N+](=O)[O-] ZINC000450329425 513145918 /nfs/dbraw/zinc/14/59/18/513145918.db2.gz KWSQWHRVLRKWAR-UHFFFAOYSA-N 1 0 351.476 2.857 20 5 FFBDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000439705432 513168854 /nfs/dbraw/zinc/16/88/54/513168854.db2.gz USHHIOYCLZAQPR-CYBMUJFWSA-N 1 0 352.410 2.556 20 5 FFBDRO Cc1ccc(NCCCNC(=O)NC[C@@H]([NH3+])c2ccccc2)c([N+](=O)[O-])c1 ZINC000417711023 513176363 /nfs/dbraw/zinc/17/63/63/513176363.db2.gz CTUDMQYXHDYIIS-MRXNPFEDSA-N 1 0 371.441 2.704 20 5 FFBDRO COc1cc(C[NH2+][C@@H]2C[C@@H]3OCCC[C@@H]23)c([N+](=O)[O-])cc1OCC(F)F ZINC000439785344 513183095 /nfs/dbraw/zinc/18/30/95/513183095.db2.gz YMOTYUNHTPAWGQ-SCRDCRAPSA-N 1 0 372.368 2.904 20 5 FFBDRO C[C@H]1CN(c2nccc3c2cccc3[N+](=O)[O-])CCN1C1CC[NH+](C)CC1 ZINC000450417560 513185559 /nfs/dbraw/zinc/18/55/59/513185559.db2.gz JVJVYYYSMXEZKN-HNNXBMFYSA-N 1 0 369.469 2.748 20 5 FFBDRO C[C@H]1CCCN(c2ccc(C(=O)N3CCC(C[NH3+])CC3)cc2[N+](=O)[O-])C1 ZINC000428813398 513199947 /nfs/dbraw/zinc/19/99/47/513199947.db2.gz ARCBLIWQHLQBJR-AWEZNQCLSA-N 1 0 360.458 2.642 20 5 FFBDRO C[C@@H](CO)[N@@H+]1CCCN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CC1 ZINC000450473251 513210596 /nfs/dbraw/zinc/21/05/96/513210596.db2.gz HCESENCPFFJIIK-ZDUSSCGKSA-N 1 0 362.455 2.611 20 5 FFBDRO CCCN1C[C@H](C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1=O ZINC000421355042 513232815 /nfs/dbraw/zinc/23/28/15/513232815.db2.gz TUEZGCWATMAHTQ-NSHDSACASA-N 1 0 357.357 2.544 20 5 FFBDRO CCc1cc(NC(=O)C23CCC[NH+]2CCC3)c2cc([N+](=O)[O-])ccc2n1 ZINC000415404306 513243085 /nfs/dbraw/zinc/24/30/85/513243085.db2.gz UCIXIFRJRZLMJY-UHFFFAOYSA-N 1 0 354.410 2.694 20 5 FFBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1 ZINC000429020142 513258222 /nfs/dbraw/zinc/25/82/22/513258222.db2.gz MQHBXDXHCUTVDK-IIDMSEBBSA-N 1 0 360.458 2.586 20 5 FFBDRO O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000415437810 513260684 /nfs/dbraw/zinc/26/06/84/513260684.db2.gz LEMUHGSNRVZCPK-ZJUUUORDSA-N 1 0 358.320 2.687 20 5 FFBDRO COc1ccc(NC(=O)N(CC[NH3+])CCc2ccccc2)cc1[N+](=O)[O-] ZINC000415437903 513260767 /nfs/dbraw/zinc/26/07/67/513260767.db2.gz LIHMEXMGBDUZFW-UHFFFAOYSA-N 1 0 358.398 2.639 20 5 FFBDRO C[C@@H]([NH3+])C1CCN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000417982044 513315717 /nfs/dbraw/zinc/31/57/17/513315717.db2.gz DIUKMIUCOINCOQ-LLVKDONJSA-N 1 0 354.838 2.560 20 5 FFBDRO C[C@@H](NC(=O)NC[C@H]1[NH2+]CCc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000417992285 513322914 /nfs/dbraw/zinc/32/29/14/513322914.db2.gz WKFWGSKBRGBMAY-CXAGYDPISA-N 1 0 354.410 2.842 20 5 FFBDRO C[C@@]1(c2ccccc2)CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000446724220 513324407 /nfs/dbraw/zinc/32/44/07/513324407.db2.gz YOYRUSUELMFLGY-UYAOXDASSA-N 1 0 356.422 2.998 20 5 FFBDRO CCOC(=O)C1CCC(O)(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000429331925 513343898 /nfs/dbraw/zinc/34/38/98/513343898.db2.gz ILYWPZYQGQHTCI-WRSVWVKZSA-N 1 0 350.415 2.730 20 5 FFBDRO COC(=O)[C@H]1CC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@H]1C(C)C ZINC000429376623 513356838 /nfs/dbraw/zinc/35/68/38/513356838.db2.gz GRXMOXJWMTYPFP-HOCLYGCPSA-N 1 0 374.397 2.664 20 5 FFBDRO Cc1c(NC(=O)N[C@@H]2C[NH2+]CC[C@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC000415648346 513361978 /nfs/dbraw/zinc/36/19/78/513361978.db2.gz BOPZOPRTAMEBHS-PRHODGIISA-N 1 0 371.235 2.785 20 5 FFBDRO Cc1c(NC(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)cc(Br)cc1[N+](=O)[O-] ZINC000415653735 513364016 /nfs/dbraw/zinc/36/40/16/513364016.db2.gz ILRZQPYGQAPEHT-GZMMTYOYSA-N 1 0 371.235 2.867 20 5 FFBDRO C[C@@H](NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H]1CCC[NH2+]C1 ZINC000418087043 513367709 /nfs/dbraw/zinc/36/77/09/513367709.db2.gz FWAZTCDBSRIRJX-PWSUYJOCSA-N 1 0 374.363 2.801 20 5 FFBDRO C[NH+](C)C1CCC(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 ZINC000421685427 513369766 /nfs/dbraw/zinc/36/97/66/513369766.db2.gz RJAFVTZXAKBKJD-UHFFFAOYSA-N 1 0 360.458 2.798 20 5 FFBDRO Cc1c(Br)cc(C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000421709777 513379895 /nfs/dbraw/zinc/37/98/95/513379895.db2.gz HBFYHPWEZZAFHQ-LBPRGKRZSA-N 1 0 370.247 2.832 20 5 FFBDRO CC(C)(C)[C@@H](C[NH3+])NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415700918 513388770 /nfs/dbraw/zinc/38/87/70/513388770.db2.gz NKMWXRZBLFVBIP-LLVKDONJSA-N 1 0 359.224 2.852 20 5 FFBDRO CO[C@@H]1CCN(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000415705615 513390876 /nfs/dbraw/zinc/39/08/76/513390876.db2.gz TZJDYPJFYOQUEB-ZIAGYGMSSA-N 1 0 364.446 2.862 20 5 FFBDRO Cc1nn(Cc2ccc(C(=O)N(C)CC(C)(C)C[NH3+])cc2)c(C)c1[N+](=O)[O-] ZINC000429501923 513394111 /nfs/dbraw/zinc/39/41/11/513394111.db2.gz BIOJNLOYISKFSS-UHFFFAOYSA-N 1 0 373.457 2.513 20 5 FFBDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000425061332 513398155 /nfs/dbraw/zinc/39/81/55/513398155.db2.gz YTGGNBAFSMWQPR-IINYFYTJSA-N 1 0 368.231 2.524 20 5 FFBDRO C[C@@H]1C[N@@H+](C2CCN(c3ccc([N+](=O)[O-])c4ncccc43)CC2)CCO1 ZINC000413074379 513426798 /nfs/dbraw/zinc/42/67/98/513426798.db2.gz JABCPBQOYSMABG-CQSZACIVSA-N 1 0 356.426 2.833 20 5 FFBDRO O=C(Nc1ccc2c(c1)C[NH2+]CC2)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000415888658 513464513 /nfs/dbraw/zinc/46/45/13/513464513.db2.gz AIAKMZVYYXCDGW-UHFFFAOYSA-N 1 0 368.393 2.667 20 5 FFBDRO Cc1ncsc1CN(C[C@@H]1CC[NH2+]C1)C(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000447455345 513480903 /nfs/dbraw/zinc/48/09/03/513480903.db2.gz ZNTJFGSKYVZGRN-CQSZACIVSA-N 1 0 374.466 2.920 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CC[NH+](C(C)(C)COC)CC1 ZINC000425347268 513521763 /nfs/dbraw/zinc/52/17/63/513521763.db2.gz HKDDISCAVPFCOR-UHFFFAOYSA-N 1 0 351.447 2.536 20 5 FFBDRO C[C@H]([NH2+]CCCN1C(=O)c2ccccc2C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000451109010 513530512 /nfs/dbraw/zinc/53/05/12/513530512.db2.gz XIOPAKLGQSKIMG-ZDUSSCGKSA-N 1 0 353.378 2.932 20 5 FFBDRO O=C(Nc1ccc2c(c1)C[NH2+]C2)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000416008703 513535845 /nfs/dbraw/zinc/53/58/45/513535845.db2.gz MRZLGOZKMLQYBT-UHFFFAOYSA-N 1 0 354.366 2.625 20 5 FFBDRO [NH3+]CC[C@H](NC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)C(F)(F)F ZINC000416052525 513557034 /nfs/dbraw/zinc/55/70/34/513557034.db2.gz UYYAOOGDXXNFKI-JSGCOSHPSA-N 1 0 374.363 2.764 20 5 FFBDRO O=[N+]([O-])c1ccc(CN2CCOCC2)cc1NC1CC[NH+](CC2CC2)CC1 ZINC000447814248 513580466 /nfs/dbraw/zinc/58/04/66/513580466.db2.gz XCCSEFUBVYWONG-UHFFFAOYSA-N 1 0 374.485 2.713 20 5 FFBDRO COc1cc(C[NH2+]C[C@@H]2N(C)CCCC2(C)C)c([N+](=O)[O-])cc1OC ZINC000447899969 513620398 /nfs/dbraw/zinc/62/03/98/513620398.db2.gz YPNWRUJLTJMKLJ-KRWDZBQOSA-N 1 0 351.447 2.822 20 5 FFBDRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000418742447 513634381 /nfs/dbraw/zinc/63/43/81/513634381.db2.gz REAAVPANYKHGFH-FLOBVVSRSA-N 1 0 358.442 2.785 20 5 FFBDRO COc1cc(CN(C)[C@@H]2CCC[NH2+]CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000435620615 513641399 /nfs/dbraw/zinc/64/13/99/513641399.db2.gz DPWYVOMNAJDBNE-GFCCVEGCSA-N 1 0 359.373 2.779 20 5 FFBDRO COc1cccc(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000435903320 513711370 /nfs/dbraw/zinc/71/13/70/513711370.db2.gz QQDSMACQWQSIRS-INIZCTEOSA-N 1 0 369.421 2.950 20 5 FFBDRO Cc1cc(OCC(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000430683739 513721301 /nfs/dbraw/zinc/72/13/01/513721301.db2.gz KUJLCVJSJFLZDT-MRXNPFEDSA-N 1 0 361.442 2.663 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000451417260 513738410 /nfs/dbraw/zinc/73/84/10/513738410.db2.gz KYOCQLBIZNWGDC-JQHSSLGASA-N 1 0 361.442 2.857 20 5 FFBDRO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000430814605 513756383 /nfs/dbraw/zinc/75/63/83/513756383.db2.gz JGDPQAGSFBGLKZ-JKSUJKDBSA-N 1 0 363.458 2.990 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](Oc3ccccc3)C2)c1 ZINC000419311419 513772204 /nfs/dbraw/zinc/77/22/04/513772204.db2.gz CWQQAUXEAIFCSC-YLJYHZDGSA-N 1 0 372.421 2.878 20 5 FFBDRO CC1(C)[C@H]([NH2+]Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@@H]2CCCO[C@@H]21 ZINC000451477799 513774753 /nfs/dbraw/zinc/77/47/53/513774753.db2.gz IWMCWCUFFJZBNI-IMJJTQAJSA-N 1 0 358.398 2.938 20 5 FFBDRO COc1ccc(NC(=O)CC[NH2+][C@@H]2C[C@](C)(OC)C2(C)C)c([N+](=O)[O-])c1 ZINC000451486975 513780880 /nfs/dbraw/zinc/78/08/80/513780880.db2.gz KMPDXOCMDNTCKP-QAPCUYQASA-N 1 0 365.430 2.725 20 5 FFBDRO CC(C)O[C@H]1C[C@H]([NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1(C)C ZINC000451503521 513794299 /nfs/dbraw/zinc/79/42/99/513794299.db2.gz QRIFDPGOFGGTJK-IRXDYDNUSA-N 1 0 361.442 2.666 20 5 FFBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2[C@H](C)[C@@H](OC)C2(C)C)c([N+](=O)[O-])c1 ZINC000451502475 513794349 /nfs/dbraw/zinc/79/43/49/513794349.db2.gz PXCNBQCXMLHESJ-DPDCMNJDSA-N 1 0 365.430 2.580 20 5 FFBDRO CO[C@@H]1[C@@H](C)[C@H]([NH2+]CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1(C)C ZINC000451509818 513799003 /nfs/dbraw/zinc/79/90/03/513799003.db2.gz ZLDBOHBMIMUWGZ-KNXALSJPSA-N 1 0 363.414 2.542 20 5 FFBDRO CC(C)O[C@@H]1C[C@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000451511925 513800828 /nfs/dbraw/zinc/80/08/28/513800828.db2.gz ZUTNRZWVWBIYKO-HYVNUMGLSA-N 1 0 352.431 2.516 20 5 FFBDRO CC(C)[NH+]1CCC(N(C)C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CC1 ZINC000448637680 513823193 /nfs/dbraw/zinc/82/31/93/513823193.db2.gz FPBPJLMZPUCJFG-UHFFFAOYSA-N 1 0 371.441 2.725 20 5 FFBDRO COc1cc(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000448695985 513849474 /nfs/dbraw/zinc/84/94/74/513849474.db2.gz CKYZXQHPJIUYHN-RYUDHWBXSA-N 1 0 353.394 2.735 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2noc(C[NH2+][C@@H]([C@@H](CO)C3CC3)C3CC3)n2)c1 ZINC000451590863 513853877 /nfs/dbraw/zinc/85/38/77/513853877.db2.gz NBERCVKNNFKBRG-DOTOQJQBSA-N 1 0 358.398 2.532 20 5 FFBDRO CC(C)[C@@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)[C@@H](CO)C(C)C ZINC000451600771 513859988 /nfs/dbraw/zinc/85/99/88/513859988.db2.gz SQXRKPRTJKNONQ-OKZBNKHCSA-N 1 0 363.458 2.579 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H]([C@@H](CO)C1CC1)C1CC1 ZINC000451612930 513866208 /nfs/dbraw/zinc/86/62/08/513866208.db2.gz QLTXHCQERMFUSS-LPHOPBHVSA-N 1 0 361.442 2.619 20 5 FFBDRO C[NH+](C)[C@@H](CNC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])C1CC1 ZINC000448744319 513876520 /nfs/dbraw/zinc/87/65/20/513876520.db2.gz BADJXJHKZDJWJB-INIZCTEOSA-N 1 0 354.410 2.727 20 5 FFBDRO COc1ccc(OCC[N@H+](C)CC2(O)CCCCCC2)c([N+](=O)[O-])c1 ZINC000426240722 513880932 /nfs/dbraw/zinc/88/09/32/513880932.db2.gz ROKGNCWMAWMJEP-UHFFFAOYSA-N 1 0 352.431 2.999 20 5 FFBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C1 ZINC000448821735 513915053 /nfs/dbraw/zinc/91/50/53/513915053.db2.gz HRSZSSOFXOOKEV-AWEZNQCLSA-N 1 0 371.441 2.835 20 5 FFBDRO C[C@@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000422749693 513921283 /nfs/dbraw/zinc/92/12/83/513921283.db2.gz AMXSEXFNAOWNHY-MNOVXSKESA-N 1 0 357.863 2.845 20 5 FFBDRO O=C(NCCC[NH2+]C1CCCCC1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000419922104 513967519 /nfs/dbraw/zinc/96/75/19/513967519.db2.gz ONJDSXIWCYPRJZ-UHFFFAOYSA-N 1 0 372.425 2.891 20 5 FFBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448984990 514007347 /nfs/dbraw/zinc/00/73/47/514007347.db2.gz VKHNQVXHFSAYDY-INIZCTEOSA-N 1 0 371.441 2.775 20 5 FFBDRO Cc1cc(OCC(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000431832902 514015136 /nfs/dbraw/zinc/01/51/36/514015136.db2.gz MAQKDBCNUDQXLP-IIAWOOMASA-N 1 0 363.458 2.765 20 5 FFBDRO CN1CCC[C@@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])c2ccccc21 ZINC000451870589 514034163 /nfs/dbraw/zinc/03/41/63/514034163.db2.gz PPJYZCKVEXDTBM-NVXWUHKLSA-N 1 0 371.437 2.895 20 5 FFBDRO CCc1cc(N2CC[NH2+]C[C@](C)(F)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000420273021 514067330 /nfs/dbraw/zinc/06/73/30/514067330.db2.gz XELFPYBFUOOFEI-SFHVURJKSA-N 1 0 359.405 2.752 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000426893901 514069195 /nfs/dbraw/zinc/06/91/95/514069195.db2.gz LFWXMCPDTGSGSS-UHFFFAOYSA-N 1 0 361.373 2.734 20 5 FFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](CO)Cc1ccccc1 ZINC000437087284 514088788 /nfs/dbraw/zinc/08/87/88/514088788.db2.gz NTDYSVQEOVGZOF-PBHICJAKSA-N 1 0 357.410 2.505 20 5 FFBDRO [NH3+]CCCN1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000420324943 514094423 /nfs/dbraw/zinc/09/44/23/514094423.db2.gz VXFKXCAUTJPLNY-UHFFFAOYSA-N 1 0 360.483 2.790 20 5 FFBDRO Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CC[NH2+][C@H](C)C2)c([N+](=O)[O-])c1 ZINC000420343028 514101755 /nfs/dbraw/zinc/10/17/55/514101755.db2.gz YGPKSRNQGSZGQN-BEFAXECRSA-N 1 0 368.437 2.877 20 5 FFBDRO C[NH+](C)C[C@@H]1CCN(C(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000444032161 514103621 /nfs/dbraw/zinc/10/36/21/514103621.db2.gz BXMMAWOULKJOFW-ZDUSSCGKSA-N 1 0 367.424 2.844 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)Cn1ncc2ccccc2c1=O ZINC000449216099 514116275 /nfs/dbraw/zinc/11/62/75/514116275.db2.gz PVWDHTBPJFPGFR-CABCVRRESA-N 1 0 366.421 2.914 20 5 FFBDRO Cc1cc(NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])c2c([nH+]1)CCCC2 ZINC000414455788 514127421 /nfs/dbraw/zinc/12/74/21/514127421.db2.gz BLBLUDMFORAHFF-UHFFFAOYSA-N 1 0 361.423 2.541 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](Cc1ccc(F)cc1)C(N)=O ZINC000449250720 514131935 /nfs/dbraw/zinc/13/19/35/514131935.db2.gz MMLLTTABGUISID-CZUORRHYSA-N 1 0 359.401 2.599 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccc(N2CCOCC2)n1 ZINC000449259006 514132591 /nfs/dbraw/zinc/13/25/91/514132591.db2.gz RYKKJPAAZBXRGE-OAHLLOKOSA-N 1 0 356.426 2.547 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@H]2NCCc3ccccc32)n1 ZINC000423415029 514135010 /nfs/dbraw/zinc/13/50/10/514135010.db2.gz DDFBFZZFPWSOAA-RCCFBDPRSA-N 1 0 355.442 2.752 20 5 FFBDRO CC[N@H+](CCNS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1)C(C)C ZINC000444175445 514144470 /nfs/dbraw/zinc/14/44/70/514144470.db2.gz KBHKGAIUDGDUGV-UHFFFAOYSA-N 1 0 363.867 2.565 20 5 FFBDRO O=C1[C@@H](N2CC[C@@H](C[NH+]3CCCCC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000444205625 514154558 /nfs/dbraw/zinc/15/45/58/514154558.db2.gz NBOYXFXEKKBDQT-LPHOPBHVSA-N 1 0 372.469 2.508 20 5 FFBDRO COC(=O)[C@]1(C)CCC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000414563247 514181861 /nfs/dbraw/zinc/18/18/61/514181861.db2.gz VVMLGXHCRAQVRJ-LJQANCHMSA-N 1 0 372.425 2.770 20 5 FFBDRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)c1cc(F)cc2c1[nH]c1ccc(F)cc1c2=O ZINC000423635765 514190369 /nfs/dbraw/zinc/19/03/69/514190369.db2.gz APLSZYQUMPLQHB-VFZGTOFNSA-N 1 0 357.360 2.521 20 5 FFBDRO Cn1cc(C[NH2+][C@@H]([C@@H](CO)C2CC2)C2CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000449514596 514234762 /nfs/dbraw/zinc/23/47/62/514234762.db2.gz YMCWNQJIOAFORC-AZUAARDMSA-N 1 0 370.453 2.882 20 5 FFBDRO Cn1nccc1[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000449596764 514265863 /nfs/dbraw/zinc/26/58/63/514265863.db2.gz YEYLRBIJEXTFMI-MLGOLLRUSA-N 1 0 350.806 2.992 20 5 FFBDRO CCOc1cc(NC(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)c([N+](=O)[O-])cc1OCC ZINC000414753407 514274688 /nfs/dbraw/zinc/27/46/88/514274688.db2.gz DNEAEBIQSHXZKW-VXGBXAGGSA-N 1 0 366.418 2.593 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CC1(OCCO)CCOCC1)CCCC2 ZINC000417329448 514298107 /nfs/dbraw/zinc/29/81/07/514298107.db2.gz JUOBQLAAVLISIM-GOSISDBHSA-N 1 0 364.442 2.510 20 5 FFBDRO [NH3+]CCC[C@H](NC(=O)CCOc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000423963623 514310491 /nfs/dbraw/zinc/31/04/91/514310491.db2.gz GHHNGVMDZVSIIN-INIZCTEOSA-N 1 0 357.410 2.960 20 5 FFBDRO [NH3+]C[C@@H](NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)C1CCCC1 ZINC000423964579 514312204 /nfs/dbraw/zinc/31/22/04/514312204.db2.gz QMVHDLJGORJGLN-CQSZACIVSA-N 1 0 360.439 2.966 20 5 FFBDRO CCO[C@@H]1COC[C@H]1[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000449715248 514319272 /nfs/dbraw/zinc/31/92/72/514319272.db2.gz IQAQSCOAWSZZIQ-CRAIPNDOSA-N 1 0 362.382 2.757 20 5 FFBDRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000424003356 514333169 /nfs/dbraw/zinc/33/31/69/514333169.db2.gz PPTOZTNZPMIFGK-HZPDHXFCSA-N 1 0 367.833 2.607 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432983612 514342643 /nfs/dbraw/zinc/34/26/43/514342643.db2.gz KBAZXPWJRFDEJX-AWEZNQCLSA-N 1 0 350.419 2.526 20 5 FFBDRO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CC1 ZINC000424039649 514352812 /nfs/dbraw/zinc/35/28/12/514352812.db2.gz ZSBPAIPYPNUDJW-KRWDZBQOSA-N 1 0 363.483 2.924 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])cc2OC)C[C@H]1C ZINC000444896551 514363633 /nfs/dbraw/zinc/36/36/33/514363633.db2.gz MMDNJTKMWZUHCW-OLZOCXBDSA-N 1 0 350.419 2.940 20 5 FFBDRO COc1cccc([C@@H](CNc2nc3cc([N+](=O)[O-])ccc3[nH]2)[NH+](C)C)c1 ZINC000427983885 514365957 /nfs/dbraw/zinc/36/59/57/514365957.db2.gz MLBAEFKLPMPCIB-QGZVFWFLSA-N 1 0 355.398 2.616 20 5 FFBDRO O=[N+]([O-])c1ccccc1OCC[NH+]1CCC(CO)(c2ccccc2)CC1 ZINC000433063244 514367564 /nfs/dbraw/zinc/36/75/64/514367564.db2.gz XCNYPDFNPYWXHU-UHFFFAOYSA-N 1 0 356.422 3.000 20 5 FFBDRO COc1ccc(-c2ccc(CN[C@H](CC[NH3+])C(F)F)o2)c([N+](=O)[O-])c1 ZINC000414983507 514387034 /nfs/dbraw/zinc/38/70/34/514387034.db2.gz CCJIKXVUDAFLMT-CYBMUJFWSA-N 1 0 355.341 2.936 20 5 FFBDRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000445086552 514408966 /nfs/dbraw/zinc/40/89/66/514408966.db2.gz TWDJIKKKTSQHGH-STQMWFEESA-N 1 0 374.445 2.533 20 5 FFBDRO CC1(C)C[C@@H]([NH2+]C[C@H]2CCCCS2(=O)=O)c2cc([N+](=O)[O-])ccc21 ZINC000433219032 514426351 /nfs/dbraw/zinc/42/63/51/514426351.db2.gz ILVOPXSGXFPDLU-CZUORRHYSA-N 1 0 352.456 2.874 20 5 FFBDRO [NH3+]C1(CNCc2ccc([N+](=O)[O-])cc2F)CC[NH+](Cc2ccccc2)CC1 ZINC000415136257 514461979 /nfs/dbraw/zinc/46/19/79/514461979.db2.gz RCIVXBYPMLGBRV-UHFFFAOYSA-N 1 0 372.444 2.817 20 5 FFBDRO NC(=O)c1cccc(NC[C@@H](c2ccco2)[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000439137330 514499757 /nfs/dbraw/zinc/49/97/57/514499757.db2.gz SGGHWTFXRZJZAZ-HNNXBMFYSA-N 1 0 358.398 2.926 20 5 FFBDRO C[N@H+](CC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)[C@H]1CCSC1 ZINC000452863723 514523322 /nfs/dbraw/zinc/52/33/22/514523322.db2.gz VXOXRWBQHVYDDD-WBVHZDCISA-N 1 0 363.483 2.738 20 5 FFBDRO C[NH+](C)C1(CNC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CCC1 ZINC000445844114 514531872 /nfs/dbraw/zinc/53/18/72/514531872.db2.gz YADGOZQYZGFGJN-UHFFFAOYSA-N 1 0 354.838 2.574 20 5 FFBDRO C[NH+](C)CC1CCC(NC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CC1 ZINC000450192914 514534264 /nfs/dbraw/zinc/53/42/64/514534264.db2.gz BKQQAWAQRJITMN-UHFFFAOYSA-N 1 0 371.441 2.631 20 5 FFBDRO CC(C)(C)CC[NH+]1CCN(C(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000466138079 514565227 /nfs/dbraw/zinc/56/52/27/514565227.db2.gz GQOMADUOCKKYPS-UHFFFAOYSA-N 1 0 362.474 2.901 20 5 FFBDRO C[C@@H]1C[N@@H+](C2CCN(c3nccc4cc([N+](=O)[O-])ccc43)CC2)CCO1 ZINC000450260387 514569292 /nfs/dbraw/zinc/56/92/92/514569292.db2.gz JLWCLXRWGQWVKS-CQSZACIVSA-N 1 0 356.426 2.833 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000458155833 514588846 /nfs/dbraw/zinc/58/88/46/514588846.db2.gz AXNFWQYBHQWMEO-QWHCGFSZSA-N 1 0 369.849 2.864 20 5 FFBDRO Cc1c(C[N@H+](C)C[C@@H]2C[C@H](F)CN2Cc2ncccn2)cccc1[N+](=O)[O-] ZINC000470810746 514619847 /nfs/dbraw/zinc/61/98/47/514619847.db2.gz IHPSWUSZVLTSIT-IRXDYDNUSA-N 1 0 373.432 2.738 20 5 FFBDRO C[NH+](C)CCN(Cc1ccsc1)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000458201442 514622355 /nfs/dbraw/zinc/62/23/55/514622355.db2.gz MLEKVOBZZSIUIS-UHFFFAOYSA-N 1 0 373.438 2.737 20 5 FFBDRO C[N@@H+]1CCC[C@H](CCNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000458228499 514646330 /nfs/dbraw/zinc/64/63/30/514646330.db2.gz UUFNAKDONMNJMI-LLVKDONJSA-N 1 0 370.247 2.819 20 5 FFBDRO COC1CC[NH+](C2(CNC(=O)c3csc([N+](=O)[O-])c3)CCCC2)CC1 ZINC000502431153 514647611 /nfs/dbraw/zinc/64/76/11/514647611.db2.gz NSTYFPPRHYZIPQ-UHFFFAOYSA-N 1 0 367.471 2.810 20 5 FFBDRO CN(C(=O)COc1ccccc1[N+](=O)[O-])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475423150 514656155 /nfs/dbraw/zinc/65/61/55/514656155.db2.gz QIZCPRUNFDAFJS-KRWDZBQOSA-N 1 0 369.421 2.707 20 5 FFBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000461616815 514668586 /nfs/dbraw/zinc/66/85/86/514668586.db2.gz ILMJHIHNUUYTMH-CQSZACIVSA-N 1 0 359.430 2.631 20 5 FFBDRO COc1c(C(=O)Nc2cccc(OCC[NH+](C)C)c2)cccc1[N+](=O)[O-] ZINC000475474953 514677620 /nfs/dbraw/zinc/67/76/20/514677620.db2.gz YLEOMPQSQXNUAI-UHFFFAOYSA-N 1 0 359.382 2.796 20 5 FFBDRO O=C1[C@H]([NH2+][C@@H]2CCCC[C@H]2OC(F)F)CCN1c1cccc([N+](=O)[O-])c1 ZINC000502538036 514685037 /nfs/dbraw/zinc/68/50/37/514685037.db2.gz APWFQXRNNUKRJU-RBSFLKMASA-N 1 0 369.368 2.840 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC1(C[NH+](C)C)CCC1 ZINC000466575729 514697462 /nfs/dbraw/zinc/69/74/62/514697462.db2.gz KDOHPZIRFZGFMM-NSHDSACASA-N 1 0 355.822 2.616 20 5 FFBDRO COc1cc(CN2C[C@H](SC)[C@@H]([NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000484612427 514708586 /nfs/dbraw/zinc/70/85/86/514708586.db2.gz DMLACOMYXOKYHB-RDJZCZTQSA-N 1 0 351.472 2.615 20 5 FFBDRO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCOC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000502649514 514726671 /nfs/dbraw/zinc/72/66/71/514726671.db2.gz TUSNXCJGXTUXSO-SDDRHHMPSA-N 1 0 355.822 2.980 20 5 FFBDRO CC(C)[C@H]1CN(C(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000489315715 514794249 /nfs/dbraw/zinc/79/42/49/514794249.db2.gz REZQVKYPECBJOV-IUODEOHRSA-N 1 0 369.849 2.814 20 5 FFBDRO COCC[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H]1CC[C@@H](C)C1 ZINC000484855045 514816290 /nfs/dbraw/zinc/81/62/90/514816290.db2.gz GLUZLZDUXSJTQR-GDBMZVCRSA-N 1 0 361.442 2.621 20 5 FFBDRO COCC[N@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@H]1CC[C@@H](C)C1 ZINC000484884016 514829477 /nfs/dbraw/zinc/82/94/77/514829477.db2.gz MFKGSIKYFNHTIO-KGLIPLIRSA-N 1 0 365.430 2.679 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)CCOc2ccc(OC)cc2[N+](=O)[O-])C[C@@H]1C ZINC000484919891 514845672 /nfs/dbraw/zinc/84/56/72/514845672.db2.gz MFPHFDPDUJCQFH-GJZGRUSLSA-N 1 0 351.447 2.787 20 5 FFBDRO Cc1cc(F)cc2c1C[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)CC2 ZINC000502969300 514863116 /nfs/dbraw/zinc/86/31/16/514863116.db2.gz KVCDZLJCCXJGJD-QGZVFWFLSA-N 1 0 360.385 2.840 20 5 FFBDRO COc1ccccc1[C@H](CNC(=O)c1ccc([N+](=O)[O-])[nH]1)[NH+]1CCCCC1 ZINC000489486294 514865054 /nfs/dbraw/zinc/86/50/54/514865054.db2.gz RLSHDWDUKCTHIJ-INIZCTEOSA-N 1 0 372.425 2.889 20 5 FFBDRO CCC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000485031758 514882255 /nfs/dbraw/zinc/88/22/55/514882255.db2.gz HYPZGYVGASDOPW-UHFFFAOYSA-N 1 0 357.357 2.800 20 5 FFBDRO CCc1ccc(C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)cc1[N+](=O)[O-] ZINC000471425195 514884187 /nfs/dbraw/zinc/88/41/87/514884187.db2.gz RWDCTGMOFFXZPJ-UHFFFAOYSA-N 1 0 367.449 2.986 20 5 FFBDRO CCc1ccc(C(=O)N2CC[C@@H](OCC[NH+](CC)CC)C2)cc1[N+](=O)[O-] ZINC000471540708 514921951 /nfs/dbraw/zinc/92/19/51/514921951.db2.gz VBWJBNSGEROCQS-QGZVFWFLSA-N 1 0 363.458 2.730 20 5 FFBDRO C[C@@H](Cc1ccc(O)cc1)[N@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000485203979 514954455 /nfs/dbraw/zinc/95/44/55/514954455.db2.gz ICODQMLWMXMGEJ-AWEZNQCLSA-N 1 0 369.421 2.753 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000509023701 514992481 /nfs/dbraw/zinc/99/24/81/514992481.db2.gz XTDOKKOXQHJMOT-LQAWEQHXSA-N 1 0 355.385 2.557 20 5 FFBDRO C[NH+](C)CCCC(C)(C)NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000456206478 515023781 /nfs/dbraw/zinc/02/37/81/515023781.db2.gz RDKBJRZIZOITDQ-UHFFFAOYSA-N 1 0 359.430 2.631 20 5 FFBDRO CCN(C(=O)c1cc([N+](=O)[O-])nn1C)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000476381877 515027944 /nfs/dbraw/zinc/02/79/44/515027944.db2.gz YEYXDRGEKZQOAK-GOEBONIOSA-N 1 0 371.441 2.626 20 5 FFBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C12CCCCC2 ZINC000503425867 515029710 /nfs/dbraw/zinc/02/97/10/515029710.db2.gz MNTUBUUNJGXYCT-IAGOWNOFSA-N 1 0 361.442 2.911 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[N@H+](C)CC[C@H]1C ZINC000498711320 515035903 /nfs/dbraw/zinc/03/59/03/515035903.db2.gz SYBGJLSVFUIZMJ-VXGBXAGGSA-N 1 0 355.822 2.568 20 5 FFBDRO CCCN(CC[NH+](CC)CC)S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000480688430 515044987 /nfs/dbraw/zinc/04/49/87/515044987.db2.gz IARZAEKONAHVNO-UHFFFAOYSA-N 1 0 371.503 2.954 20 5 FFBDRO CCC[C@@H]([NH2+]CCN1C(=O)NC2(CCCC2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000480695530 515047883 /nfs/dbraw/zinc/04/78/83/515047883.db2.gz RRBMVIZIEPDVSD-MRXNPFEDSA-N 1 0 374.441 2.890 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@H]1OC(F)F ZINC000503530381 515073516 /nfs/dbraw/zinc/07/35/16/515073516.db2.gz FKIIOWVVFOYXOL-DRCTWCGVSA-N 1 0 373.356 2.680 20 5 FFBDRO CCC[N@H+](CC)CCNC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000472227235 515177648 /nfs/dbraw/zinc/17/76/48/515177648.db2.gz XYIPXVFEMTUJEH-LBPRGKRZSA-N 1 0 357.838 2.864 20 5 FFBDRO COc1cc(CN2CC[N@H+](C)CC2(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000490371449 515191046 /nfs/dbraw/zinc/19/10/46/515191046.db2.gz PYFAKSAHTWCHIK-UHFFFAOYSA-N 1 0 373.400 2.773 20 5 FFBDRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000499244501 515253446 /nfs/dbraw/zinc/25/34/46/515253446.db2.gz ARVYNCWQVHGLNQ-UHFFFAOYSA-N 1 0 350.806 2.780 20 5 FFBDRO CCN(CCn1cc([N+](=O)[O-])cn1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000472440707 515271672 /nfs/dbraw/zinc/27/16/72/515271672.db2.gz RXUJBCSFGWFXKA-AEFFLSMTSA-N 1 0 357.458 2.949 20 5 FFBDRO CCC(CC)(CC(=O)OC)[NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000472439855 515271697 /nfs/dbraw/zinc/27/16/97/515271697.db2.gz OOPABFIHAQQXEP-UHFFFAOYSA-N 1 0 351.403 2.553 20 5 FFBDRO CCOC(=O)CC(C)(C)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000490671455 515279278 /nfs/dbraw/zinc/27/92/78/515279278.db2.gz LHHLCRPVRVVWGE-UHFFFAOYSA-N 1 0 351.403 2.505 20 5 FFBDRO CC[NH+]1CCC(CCNS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)CC1 ZINC000481336160 515296740 /nfs/dbraw/zinc/29/67/40/515296740.db2.gz AKWVLYVZOHEXPG-UHFFFAOYSA-N 1 0 369.487 2.612 20 5 FFBDRO O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)c1cc([N+](=O)[O-])n[nH]1 ZINC000509827451 515339534 /nfs/dbraw/zinc/33/95/34/515339534.db2.gz OFXVZFZDCHHBEC-UHFFFAOYSA-N 1 0 357.414 2.624 20 5 FFBDRO COCc1cc([N+](=O)[O-])ccc1NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000486160603 515359600 /nfs/dbraw/zinc/35/96/00/515359600.db2.gz VWVZOCNOTVONDR-LJQANCHMSA-N 1 0 371.437 2.572 20 5 FFBDRO CSc1cccc(C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)c1[N+](=O)[O-] ZINC000486218095 515384853 /nfs/dbraw/zinc/38/48/53/515384853.db2.gz DVDPTAMFVIHOQU-UHFFFAOYSA-N 1 0 355.379 2.572 20 5 FFBDRO CCC[N@@H+]1CC[C@H](CNC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000481717005 515436771 /nfs/dbraw/zinc/43/67/71/515436771.db2.gz UXDCLNATUGGKSV-CYBMUJFWSA-N 1 0 368.865 2.822 20 5 FFBDRO C[C@@H]1C[C@@H](CCNC(=O)c2ccc([N+](=O)[O-])n2C)C[N@@H+]1Cc1ccccc1 ZINC000510150547 515451220 /nfs/dbraw/zinc/45/12/20/515451220.db2.gz WMKVEKYAKKDKMB-NVXWUHKLSA-N 1 0 370.453 2.964 20 5 FFBDRO CC(C)c1n[nH]c(C(=O)NCc2ccc(C[NH+](C)C)c(F)c2)c1[N+](=O)[O-] ZINC000477435514 515454730 /nfs/dbraw/zinc/45/47/30/515454730.db2.gz HUMHLIKTUHUDOZ-UHFFFAOYSA-N 1 0 363.393 2.572 20 5 FFBDRO C[C@@H]1C[C@@H](CCNC(=O)c2ccc([N+](=O)[O-])[nH]2)C[N@@H+]1Cc1ccccc1 ZINC000510259441 515486264 /nfs/dbraw/zinc/48/62/64/515486264.db2.gz QAZRFSQXWSLLOY-GDBMZVCRSA-N 1 0 356.426 2.953 20 5 FFBDRO CC[N@H+](CCNC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)C1CC1 ZINC000454467909 515510547 /nfs/dbraw/zinc/51/05/47/515510547.db2.gz NQZGXQRZFVUUCW-INIZCTEOSA-N 1 0 360.458 2.968 20 5 FFBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000486527718 515524780 /nfs/dbraw/zinc/52/47/80/515524780.db2.gz DRFUKDNWBOELGM-LBPRGKRZSA-N 1 0 355.385 2.748 20 5 FFBDRO CCOc1cc(C[N@@H+]2CCCC[C@H]2CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000492629351 515549321 /nfs/dbraw/zinc/54/93/21/515549321.db2.gz JXUKVXGSCFBVIH-KRWDZBQOSA-N 1 0 363.458 2.680 20 5 FFBDRO COC(=O)C[C@]1([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCOC1 ZINC000463725772 515592842 /nfs/dbraw/zinc/59/28/42/515592842.db2.gz KMUIWJYWODRTIM-GOSISDBHSA-N 1 0 360.366 2.667 20 5 FFBDRO C[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1N)[C@H](c1ccccc1)[NH+](C)C ZINC000505604933 515607128 /nfs/dbraw/zinc/60/71/28/515607128.db2.gz GOJNJDBVDWWGMY-PIGZYNQJSA-N 1 0 360.389 2.737 20 5 FFBDRO Cc1cc(C)c(S(=O)(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)cc1[N+](=O)[O-] ZINC000493341246 515624245 /nfs/dbraw/zinc/62/42/45/515624245.db2.gz YMXHYWZVWQMXOL-AWEZNQCLSA-N 1 0 367.471 2.507 20 5 FFBDRO C[NH+](C)CCN(C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)C1CC1 ZINC000505662101 515627348 /nfs/dbraw/zinc/62/73/48/515627348.db2.gz OJRMGBIXYTUHLM-UHFFFAOYSA-N 1 0 360.439 2.885 20 5 FFBDRO Cc1cc(C)c(S(=O)(=O)NCC[NH+](C(C)C)C(C)C)cc1[N+](=O)[O-] ZINC000493472711 515636464 /nfs/dbraw/zinc/63/64/64/515636464.db2.gz LVTAEQSITXSESM-UHFFFAOYSA-N 1 0 357.476 2.609 20 5 FFBDRO O=c1cc2c(n[nH]1)CC[N@@H+](Cc1ccc(-c3ccccc3[N+](=O)[O-])o1)C2 ZINC000482295291 515638758 /nfs/dbraw/zinc/63/87/58/515638758.db2.gz VTQDXHOASUCTQN-UHFFFAOYSA-N 1 0 352.350 2.909 20 5 FFBDRO CN1CC[NH+](CCC(C)(C)Nc2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000473530075 515649060 /nfs/dbraw/zinc/64/90/60/515649060.db2.gz XAUNNSZGQRYPDO-UHFFFAOYSA-N 1 0 357.458 2.971 20 5 FFBDRO C[C@@H]1CN(C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@@H](C)C[NH2+]1 ZINC000505857071 515698446 /nfs/dbraw/zinc/69/84/46/515698446.db2.gz NQPKRAIWSCZVEE-MNOVXSKESA-N 1 0 374.363 2.624 20 5 FFBDRO C[C@H](CCCc1cccnc1)[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000459641346 515715345 /nfs/dbraw/zinc/71/53/45/515715345.db2.gz MKYBRLLNBKXSGK-OAHLLOKOSA-N 1 0 356.426 2.954 20 5 FFBDRO C[C@H]1[C@H](NC(=O)COc2cccc([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000494045867 515719046 /nfs/dbraw/zinc/71/90/46/515719046.db2.gz CNRPIDYKQMBXLO-HNAYVOBHSA-N 1 0 369.421 2.753 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)CCCc1cccnc1 ZINC000459651109 515720416 /nfs/dbraw/zinc/72/04/16/515720416.db2.gz YNYQUBAAYFXWDJ-CQSZACIVSA-N 1 0 372.425 2.938 20 5 FFBDRO Cc1ccc([C@@H](C)[NH2+]CCc2nnnn2-c2ccccc2)cc1[N+](=O)[O-] ZINC000510975479 515735014 /nfs/dbraw/zinc/73/50/14/515735014.db2.gz CATFYJIEAJGRLR-CQSZACIVSA-N 1 0 352.398 2.772 20 5 FFBDRO C[N@H+](CCn1cc(Br)cc([N+](=O)[O-])c1=O)Cc1ccccc1 ZINC000487099281 515756910 /nfs/dbraw/zinc/75/69/10/515756910.db2.gz LMXOEXHFNQGPOD-UHFFFAOYSA-N 1 0 366.215 2.651 20 5 FFBDRO CC(C)[C@H]1CN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CC[N@@H+]1C ZINC000487138628 515774668 /nfs/dbraw/zinc/77/46/68/515774668.db2.gz NRORSSUEDMMSHU-GOSISDBHSA-N 1 0 360.458 2.607 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](CO)c1ccc(OC)cc1 ZINC000459732619 515776492 /nfs/dbraw/zinc/77/64/92/515776492.db2.gz JGQODWZAGJGBKU-INIZCTEOSA-N 1 0 360.410 2.868 20 5 FFBDRO O=C(CC(F)(F)F)NC[C@H]1CCCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000511122593 515792552 /nfs/dbraw/zinc/79/25/52/515792552.db2.gz ONJASKQTYCXRDU-SNVBAGLBSA-N 1 0 365.377 2.937 20 5 FFBDRO CO[C@H]1C[C@H]([NH2+]CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C12CCC2 ZINC000459777474 515799133 /nfs/dbraw/zinc/79/91/33/515799133.db2.gz VZUBWBMPGKMGSM-KBPBESRZSA-N 1 0 353.806 2.734 20 5 FFBDRO C[C@H](NC(=O)c1ccc([N+](=O)[O-])n1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000487294878 515818654 /nfs/dbraw/zinc/81/86/54/515818654.db2.gz DIVWMEMFYSOYHX-GOEBONIOSA-N 1 0 356.426 2.574 20 5 FFBDRO COc1ccccc1[C@H]1[C@@H]([NH3+])CCCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000457362796 515828464 /nfs/dbraw/zinc/82/84/64/515828464.db2.gz MZVAUPKICOATFQ-WMZOPIPTSA-N 1 0 355.394 2.908 20 5 FFBDRO CCC1(CC)C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CCS1 ZINC000464581335 515882653 /nfs/dbraw/zinc/88/26/53/515882653.db2.gz ODWVUNFRCKLIGN-AWEZNQCLSA-N 1 0 354.472 2.942 20 5 FFBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000500856657 515885311 /nfs/dbraw/zinc/88/53/11/515885311.db2.gz ICQQNAQATCHATR-INIZCTEOSA-N 1 0 363.462 2.570 20 5 FFBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000500872054 515890800 /nfs/dbraw/zinc/89/08/00/515890800.db2.gz VPLNYCRGBXVGIF-HNNXBMFYSA-N 1 0 363.462 2.570 20 5 FFBDRO CC[NH+](CC)CCO[C@H]1CCN(Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000464680995 515920527 /nfs/dbraw/zinc/92/05/27/515920527.db2.gz YRPYHYPMBKZNMY-HNNXBMFYSA-N 1 0 369.437 2.675 20 5 FFBDRO COC(=O)[C@@H]1CCCC[C@]1(C)[NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000464688815 515924078 /nfs/dbraw/zinc/92/40/78/515924078.db2.gz IRAHDGUHJDPECQ-SJCJKPOMSA-N 1 0 354.378 2.954 20 5 FFBDRO C[C@@H]([NH2+][C@@H](C)CN1CCN(c2ccccn2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000483154185 515958042 /nfs/dbraw/zinc/95/80/42/515958042.db2.gz IEHJSNQYZLDJFN-DLBZAZTESA-N 1 0 369.469 2.851 20 5 FFBDRO CC[N@@H+]1CC[C@@H](CNC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000501076273 515968493 /nfs/dbraw/zinc/96/84/93/515968493.db2.gz QVVBJDOBGUPZBJ-JTQLQIEISA-N 1 0 371.235 2.821 20 5 FFBDRO C[C@@H]1C[C@@H](NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000487838947 516000324 /nfs/dbraw/zinc/00/03/24/516000324.db2.gz OGNRVOFGNIAEHK-RISCZKNCSA-N 1 0 354.838 2.573 20 5 FFBDRO O=C(C[N@H+](CC1CC1)CC1CCC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000483261892 516007611 /nfs/dbraw/zinc/00/76/11/516007611.db2.gz OBMOJMHGAQMHJX-UHFFFAOYSA-N 1 0 361.398 2.774 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+]CCc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000474364208 516012229 /nfs/dbraw/zinc/01/22/29/516012229.db2.gz UXAFLVZKNGLODC-UHFFFAOYSA-N 1 0 362.357 2.618 20 5 FFBDRO C[NH+]1CCC(CCNC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000487932636 516039116 /nfs/dbraw/zinc/03/91/16/516039116.db2.gz HLIQKSTXNNDVBE-UHFFFAOYSA-N 1 0 368.865 2.822 20 5 FFBDRO CNC(=O)C[C@H]([NH2+]CCCOc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000483414791 516078410 /nfs/dbraw/zinc/07/84/10/516078410.db2.gz IHIRWLSMNHDXNY-SFHVURJKSA-N 1 0 357.410 2.831 20 5 FFBDRO O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000470173988 516161985 /nfs/dbraw/zinc/16/19/85/516161985.db2.gz HDPZVCXALZHADS-CYBMUJFWSA-N 1 0 369.368 2.943 20 5 FFBDRO C[C@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000507328432 516173999 /nfs/dbraw/zinc/17/39/99/516173999.db2.gz HPWJBMGIKUKVHC-LBPRGKRZSA-N 1 0 373.450 2.523 20 5 FFBDRO C[C@@H](C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H](C)CO)c1ccccc1 ZINC000554280148 516358882 /nfs/dbraw/zinc/35/88/82/516358882.db2.gz XJDGGCVGZMLKNI-GJZGRUSLSA-N 1 0 371.437 2.680 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](CO)c1ccccc1C ZINC000543837307 516451172 /nfs/dbraw/zinc/45/11/72/516451172.db2.gz YVWWGVIRYAYLEA-SFHVURJKSA-N 1 0 357.410 2.863 20 5 FFBDRO CC[NH+](CC)CCN(CCOC)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000535694510 516452629 /nfs/dbraw/zinc/45/26/29/516452629.db2.gz GFWAUIXRUVPWJQ-UHFFFAOYSA-N 1 0 362.430 2.507 20 5 FFBDRO CCCC[N@H+](C)C[C@H](C)NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000558096938 516592729 /nfs/dbraw/zinc/59/27/29/516592729.db2.gz YZDVMQDAUZJCQU-NSHDSACASA-N 1 0 363.867 2.647 20 5 FFBDRO O=C1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CN1[C@H]1C[C@@H]1c1ccccc1 ZINC000540617967 516643053 /nfs/dbraw/zinc/64/30/53/516643053.db2.gz FCUBNQUQKQYCLA-SCTDSRPQSA-N 1 0 351.406 2.841 20 5 FFBDRO Cc1nc2ccccn2c(=O)c1CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000554940585 516710056 /nfs/dbraw/zinc/71/00/56/516710056.db2.gz QYDALVFRKMSMPY-CYBMUJFWSA-N 1 0 352.394 2.804 20 5 FFBDRO C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000513698340 516723450 /nfs/dbraw/zinc/72/34/50/516723450.db2.gz ZMUJBRAAZHOUIQ-CYBMUJFWSA-N 1 0 353.378 2.759 20 5 FFBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C[C@@H](C)C1 ZINC000561749741 516747267 /nfs/dbraw/zinc/74/72/67/516747267.db2.gz ZARHAHARDYIDOX-SUNYJGFJSA-N 1 0 368.437 2.945 20 5 FFBDRO CC1CC[NH+](CCCNC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000555113790 516787942 /nfs/dbraw/zinc/78/79/42/516787942.db2.gz BWHHZXLTKGKTHZ-UHFFFAOYSA-N 1 0 362.474 2.901 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])c(NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)n1 ZINC000541004453 516826664 /nfs/dbraw/zinc/82/66/64/516826664.db2.gz CBOAXEPLKXDMPR-KRWDZBQOSA-N 1 0 356.426 2.785 20 5 FFBDRO COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000541064560 516854898 /nfs/dbraw/zinc/85/48/98/516854898.db2.gz KKWQIERATZCHMO-OCCSQVGLSA-N 1 0 369.849 2.611 20 5 FFBDRO C[C@H](c1cccc(NC(=O)c2cc([N+](=O)[O-])cn2C)c1)N1CCOCC1 ZINC000519132761 516895658 /nfs/dbraw/zinc/89/56/58/516895658.db2.gz AWGCAUZBUXHEKX-CYBMUJFWSA-N 1 0 358.398 2.579 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCCC[C@@H]1C[NH+](C)C ZINC000519139853 516897085 /nfs/dbraw/zinc/89/70/85/516897085.db2.gz CZMKHAKOPNEEBQ-GXTWGEPZSA-N 1 0 369.849 2.958 20 5 FFBDRO COCCN(Cc1ccc2c(c1)OCO2)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000555364679 516900817 /nfs/dbraw/zinc/90/08/17/516900817.db2.gz NRXGNUCQHLZVIJ-UHFFFAOYSA-N 1 0 360.366 2.678 20 5 FFBDRO C[N@H+](CCNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)C1CCCC1 ZINC000514204826 516901174 /nfs/dbraw/zinc/90/11/74/516901174.db2.gz VZSOYZGNLVHANW-UHFFFAOYSA-N 1 0 357.357 2.800 20 5 FFBDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000558800390 516950633 /nfs/dbraw/zinc/95/06/33/516950633.db2.gz CYUBVLCHMLWQHF-UHFFFAOYSA-N 1 0 357.366 2.946 20 5 FFBDRO C[NH+](C)CCN(CCCc1ccccc1)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532398910 516953698 /nfs/dbraw/zinc/95/36/98/516953698.db2.gz PFKJVOZUCVICPV-UHFFFAOYSA-N 1 0 356.426 2.626 20 5 FFBDRO C[N@H+](CCC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)C1CCCCC1 ZINC000548391968 516955417 /nfs/dbraw/zinc/95/54/17/516955417.db2.gz WUWRKFHAWHDNQR-UHFFFAOYSA-N 1 0 361.442 2.839 20 5 FFBDRO CC[C@H]([NH2+]CCN1CCN(C(=O)C2CCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000536865096 516956588 /nfs/dbraw/zinc/95/65/88/516956588.db2.gz RZPGITCLKFDEIE-IBGZPJMESA-N 1 0 374.485 2.580 20 5 FFBDRO CC[C@@H](C)C[C@@H](CC)[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000536857115 516956870 /nfs/dbraw/zinc/95/68/70/516956870.db2.gz IQOGZZDQLQGLLP-ZIAGYGMSSA-N 1 0 357.476 2.678 20 5 FFBDRO CC(C)(C)OC1CC[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000541350440 517006190 /nfs/dbraw/zinc/00/61/90/517006190.db2.gz ZRDZXTCEQSDANI-CQSZACIVSA-N 1 0 352.431 2.614 20 5 FFBDRO CC[N@H+](CCNC(=O)c1ccc(NC)c([N+](=O)[O-])c1)CCC(F)(F)F ZINC000514704233 517012284 /nfs/dbraw/zinc/01/22/84/517012284.db2.gz OLFDCKAQNWDQGG-UHFFFAOYSA-N 1 0 362.352 2.641 20 5 FFBDRO COc1ccc(NC(=O)CC[N@H+](C)CCc2ccccc2O)c([N+](=O)[O-])c1 ZINC000541386328 517022286 /nfs/dbraw/zinc/02/22/86/517022286.db2.gz PAPWXROIXCIPBU-UHFFFAOYSA-N 1 0 373.409 2.812 20 5 FFBDRO C[C@@H]1C[NH+](C[C@H]2CCCN2Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H](C)O1 ZINC000548508506 517024467 /nfs/dbraw/zinc/02/44/67/517024467.db2.gz JHNDNOVRXYFPCX-IIAWOOMASA-N 1 0 373.457 2.545 20 5 FFBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000525554727 517074168 /nfs/dbraw/zinc/07/41/68/517074168.db2.gz PEUUTBNRAOYPTK-MLGOLLRUSA-N 1 0 362.455 2.808 20 5 FFBDRO COc1cc(C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)cc([N+](=O)[O-])c1OC ZINC000525560305 517075384 /nfs/dbraw/zinc/07/53/84/517075384.db2.gz NVINIKZMKHEPLM-CHWSQXEVSA-N 1 0 365.430 2.605 20 5 FFBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)C2(S(C)(=O)=O)CC2)cc1[N+](=O)[O-] ZINC000552097189 517076789 /nfs/dbraw/zinc/07/67/89/517076789.db2.gz VXKXZXFJVBJUSY-NEPJUHHUSA-N 1 0 356.444 2.610 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)CCC[N@H+](C)Cc1ccncc1 ZINC000552112662 517085335 /nfs/dbraw/zinc/08/53/35/517085335.db2.gz ORAUQDYMKWFOCP-UHFFFAOYSA-N 1 0 356.426 2.892 20 5 FFBDRO COc1ccccc1CCNC(=O)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000562438234 517108969 /nfs/dbraw/zinc/10/89/69/517108969.db2.gz WEMPZSPTLSXGKV-OAHLLOKOSA-N 1 0 371.437 2.921 20 5 FFBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000545228457 517118000 /nfs/dbraw/zinc/11/80/00/517118000.db2.gz ZSGQSROALBUDHZ-GFCCVEGCSA-N 1 0 354.838 2.778 20 5 FFBDRO O=C1CC[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)[C@H](C2CC2)N1 ZINC000559234413 517125459 /nfs/dbraw/zinc/12/54/59/517125459.db2.gz MVVBPAAWNAKPGH-HIFRSBDPSA-N 1 0 357.332 2.760 20 5 FFBDRO C[N@@H+]1CCCC12CCN(C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)CC2 ZINC000514984118 517154130 /nfs/dbraw/zinc/15/41/30/517154130.db2.gz IXXWAXMUAHQTAV-UHFFFAOYSA-N 1 0 353.369 2.502 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCC[C@@H](C3CC3)C2)cc1 ZINC000541737682 517193828 /nfs/dbraw/zinc/19/38/28/517193828.db2.gz ALTZPXIZOVHWFK-HUUCEWRRSA-N 1 0 352.456 2.927 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000532949861 517218754 /nfs/dbraw/zinc/21/87/54/517218754.db2.gz ZWYFIFLWKLDMPW-UHFFFAOYSA-N 1 0 362.474 2.894 20 5 FFBDRO O=C(CC[NH2+]CCn1cnc2ccccc21)Nc1ccccc1[N+](=O)[O-] ZINC000548830738 517242180 /nfs/dbraw/zinc/24/21/80/517242180.db2.gz ZWEUCNCJBGLYJG-UHFFFAOYSA-N 1 0 353.382 2.563 20 5 FFBDRO Cc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])cn2C)[NH+]2CCCC2)cc1 ZINC000519937044 517246483 /nfs/dbraw/zinc/24/64/83/517246483.db2.gz RIWHDXGXWNDSEZ-SFHVURJKSA-N 1 0 356.426 2.809 20 5 FFBDRO C[NH+](C)CCOc1cnccc1CNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000515325974 517298086 /nfs/dbraw/zinc/29/80/86/517298086.db2.gz MUOAPODTIUARGW-UHFFFAOYSA-N 1 0 374.426 2.547 20 5 FFBDRO C[C@@H]1CCCC[C@@H]1OCC[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000548950109 517322889 /nfs/dbraw/zinc/32/28/89/517322889.db2.gz LGEXOWUBEXZIED-HFTRVMKXSA-N 1 0 352.431 2.519 20 5 FFBDRO C[C@@H]1CCCC[C@@H]1OCC[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000548950110 517323119 /nfs/dbraw/zinc/32/31/19/517323119.db2.gz LGEXOWUBEXZIED-KYJSFNMBSA-N 1 0 352.431 2.519 20 5 FFBDRO Cc1cc(C2CC[NH+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)[nH]n1 ZINC000542053669 517360861 /nfs/dbraw/zinc/36/08/61/517360861.db2.gz OPUQWAAUEYYTFL-UHFFFAOYSA-N 1 0 357.414 2.835 20 5 FFBDRO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000537825509 517363362 /nfs/dbraw/zinc/36/33/62/517363362.db2.gz USPXUNHUTAEPOP-RYUDHWBXSA-N 1 0 355.822 2.568 20 5 FFBDRO CNc1ccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1[N+](=O)[O-] ZINC000533312690 517401082 /nfs/dbraw/zinc/40/10/82/517401082.db2.gz NQNRUCONUIBKRL-RHSMWYFYSA-N 1 0 358.442 2.725 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)cc1C ZINC000552883157 517427277 /nfs/dbraw/zinc/42/72/77/517427277.db2.gz RBMOIROKOFJXGV-GASCZTMLSA-N 1 0 369.487 2.753 20 5 FFBDRO CCOc1cc(N2CCN(Cc3ccc(OC)cn3)CC2)ccc1[N+](=O)[O-] ZINC000549174687 517437501 /nfs/dbraw/zinc/43/75/01/517437501.db2.gz SNLXZGSRESIMFC-UHFFFAOYSA-N 1 0 372.425 2.719 20 5 FFBDRO CC(C)CC[C@H]([NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000549237063 517470582 /nfs/dbraw/zinc/47/05/82/517470582.db2.gz JETKQWIKYVIJSU-HNNXBMFYSA-N 1 0 369.487 2.678 20 5 FFBDRO Cc1ccccc1OCCC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000520845983 517531146 /nfs/dbraw/zinc/53/11/46/517531146.db2.gz MKLHDROCBVUHIF-UHFFFAOYSA-N 1 0 356.426 2.889 20 5 FFBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)NC[C@@H]2Cc3ccccc3O2)cc1[N+](=O)[O-] ZINC000538277301 517537046 /nfs/dbraw/zinc/53/70/46/517537046.db2.gz PQLHSQGRKYQRBZ-YOEHRIQHSA-N 1 0 369.421 2.674 20 5 FFBDRO Cc1c(Br)cc(C(=O)NC[C@@H](C)[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000533578476 517537904 /nfs/dbraw/zinc/53/79/04/517537904.db2.gz ABCCQYHFTQEXBL-SNVBAGLBSA-N 1 0 370.247 2.880 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000562975192 517546730 /nfs/dbraw/zinc/54/67/30/517546730.db2.gz HUEGDCLISSETJE-BDJLRTHQSA-N 1 0 355.822 2.521 20 5 FFBDRO CC(C)C[C@@H]1C[C@@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000563013507 517582968 /nfs/dbraw/zinc/58/29/68/517582968.db2.gz JKJWOEGHBUASDT-HRCADAONSA-N 1 0 352.431 2.518 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CCc1ccc(F)c(F)c1F ZINC000563012721 517583329 /nfs/dbraw/zinc/58/33/29/517583329.db2.gz CGEWYZOAXQOHMM-GFCCVEGCSA-N 1 0 370.327 2.584 20 5 FFBDRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000533801227 517616480 /nfs/dbraw/zinc/61/64/80/517616480.db2.gz HJDRHDJEXRTGBD-GJZGRUSLSA-N 1 0 360.458 2.925 20 5 FFBDRO CCCC[N@H+](C)C[C@H](C)NS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000516508119 517715905 /nfs/dbraw/zinc/71/59/05/517715905.db2.gz YIXIYKTVMJLACM-AWEZNQCLSA-N 1 0 357.476 2.610 20 5 FFBDRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000542781114 517736122 /nfs/dbraw/zinc/73/61/22/517736122.db2.gz IVLJWYNCAHAIOK-CYBMUJFWSA-N 1 0 368.865 2.964 20 5 FFBDRO CCCC[NH+]1CCC(NS(=O)(=O)c2ccc(CC)c([N+](=O)[O-])c2)CC1 ZINC000516566635 517747133 /nfs/dbraw/zinc/74/71/33/517747133.db2.gz IDDIZLFCDHEPCT-UHFFFAOYSA-N 1 0 369.487 2.700 20 5 FFBDRO O=[N+]([O-])c1ccc(NCC[N@H+]2CC=CCC2)nc1OCc1ccccc1 ZINC000530430712 517770867 /nfs/dbraw/zinc/77/08/67/517770867.db2.gz YTHHAFVBCXPQFK-UHFFFAOYSA-N 1 0 354.410 2.665 20 5 FFBDRO Cn1ccnc1[C@@H](NCCNc1ccccn1)c1ccc([N+](=O)[O-])cc1 ZINC000560529000 517875064 /nfs/dbraw/zinc/87/50/64/517875064.db2.gz TWFLZNZGCFGPQP-KRWDZBQOSA-N 1 0 352.398 2.514 20 5 FFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCc1cnc(C2CC2)nc1 ZINC000539041941 517894905 /nfs/dbraw/zinc/89/49/05/517894905.db2.gz SHYXAYPUZOLISD-ZDUSSCGKSA-N 1 0 369.425 2.812 20 5 FFBDRO COc1ccc(CNC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000521908591 517895029 /nfs/dbraw/zinc/89/50/29/517895029.db2.gz KCBSEBXQBZVHBS-UHFFFAOYSA-N 1 0 364.446 2.619 20 5 FFBDRO CCN(CC[NH+]1CCCCCC1)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000553800730 517913821 /nfs/dbraw/zinc/91/38/21/517913821.db2.gz PVFXKBCVCDQSME-UHFFFAOYSA-N 1 0 359.430 2.809 20 5 FFBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000534521604 517925291 /nfs/dbraw/zinc/92/52/91/517925291.db2.gz JWNMPPDZCYBUFI-INIZCTEOSA-N 1 0 356.426 2.539 20 5 FFBDRO CC(C)C[C@@H](CN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000557393528 517988899 /nfs/dbraw/zinc/98/88/99/517988899.db2.gz SQFNXLGTFHMHHP-ROUUACIJSA-N 1 0 359.474 2.984 20 5 FFBDRO C[NH+](C)Cc1ccc(NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)cc1 ZINC000530835689 518001725 /nfs/dbraw/zinc/00/17/25/518001725.db2.gz GTCNMFZSNFFZFB-UHFFFAOYSA-N 1 0 357.366 2.680 20 5 FFBDRO Cc1ccc(-c2nc(-c3ccnc(OCC[NH+](C)C)c3)no2)cc1[N+](=O)[O-] ZINC000547193309 518017479 /nfs/dbraw/zinc/01/74/79/518017479.db2.gz WNKVRVPRPUDBPX-UHFFFAOYSA-N 1 0 369.381 2.956 20 5 FFBDRO C[C@@H]1CC(CC[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000517129747 518035685 /nfs/dbraw/zinc/03/56/85/518035685.db2.gz PDFLXQPMLPGMAD-FMKPAKJESA-N 1 0 352.431 2.518 20 5 FFBDRO CCOc1cc(C(=O)Nc2cccc3c2CC[NH2+]C3)c([N+](=O)[O-])cc1OC ZINC000517230738 518079109 /nfs/dbraw/zinc/07/91/09/518079109.db2.gz SKRZYEMHFQYZTJ-UHFFFAOYSA-N 1 0 371.393 2.900 20 5 FFBDRO Cc1ccc([C@@H](CNc2ncnc3cccc([N+](=O)[O-])c32)[NH+](C)C)cc1 ZINC000543450890 518099369 /nfs/dbraw/zinc/09/93/69/518099369.db2.gz DVCVHEUTJVETEB-QGZVFWFLSA-N 1 0 351.410 2.983 20 5 FFBDRO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000547421570 518131393 /nfs/dbraw/zinc/13/13/93/518131393.db2.gz DPDUUVFNUZNEPM-SFHVURJKSA-N 1 0 356.426 2.876 20 5 FFBDRO CCSc1cc(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)ccn1 ZINC000563805524 518132227 /nfs/dbraw/zinc/13/22/27/518132227.db2.gz JBUXRPNLRCUVLV-OAHLLOKOSA-N 1 0 363.439 2.631 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1CNC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000543613948 518152995 /nfs/dbraw/zinc/15/29/95/518152995.db2.gz QMIUNWVHGRPHPX-FQEVSTJZSA-N 1 0 355.438 2.630 20 5 FFBDRO COc1cccc([C@H]2[C@H](Nc3c([N+](=O)[O-])ncn3C)CC[N@@H+]2C2CC2)c1 ZINC000539773758 518158264 /nfs/dbraw/zinc/15/82/64/518158264.db2.gz FQQHDPKXLWZVBG-CVEARBPZSA-N 1 0 357.414 2.727 20 5 FFBDRO C[C@H](CNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)[N@@H+]1CCCC[C@H]1C ZINC000535282377 518173260 /nfs/dbraw/zinc/17/32/60/518173260.db2.gz VVUAHSCYWNADNB-HUUCEWRRSA-N 1 0 360.458 2.925 20 5 FFBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000535340498 518175436 /nfs/dbraw/zinc/17/54/36/518175436.db2.gz OZKQLBPCLXCCGY-IYBDPMFKSA-N 1 0 362.474 2.805 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CCc2cc3ccccc3o2)c1 ZINC000563881690 518212637 /nfs/dbraw/zinc/21/26/37/518212637.db2.gz NBQNFCQARJXRAM-INIZCTEOSA-N 1 0 356.378 2.913 20 5 FFBDRO CC(C)C[C@@H]1C[C@@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000581365854 518251108 /nfs/dbraw/zinc/25/11/08/518251108.db2.gz PKQZPTGFWCRFFG-GOEBONIOSA-N 1 0 370.471 2.552 20 5 FFBDRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000564068064 518292458 /nfs/dbraw/zinc/29/24/58/518292458.db2.gz UEHOMKOGRGYVQJ-CQSZACIVSA-N 1 0 373.457 2.792 20 5 FFBDRO Cc1cccc(-c2ccc(C[NH2+]C[C@H](O)Cn3cc([N+](=O)[O-])cn3)cc2)c1 ZINC000567042768 518324724 /nfs/dbraw/zinc/32/47/24/518324724.db2.gz VGJZJVJJGDQJEP-FQEVSTJZSA-N 1 0 366.421 2.917 20 5 FFBDRO Cc1cc(NC[C@@H]2CCC3(CCOCC3)[C@@H]2O)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000575884596 518329061 /nfs/dbraw/zinc/32/90/61/518329061.db2.gz LUTFQMPMCDAJAE-IFXJQAMLSA-N 1 0 371.437 2.853 20 5 FFBDRO O=c1[nH]c(N2CC[NH+](CC3CCCCC3)CC2)nc2ccc([N+](=O)[O-])cc21 ZINC000578733014 518348164 /nfs/dbraw/zinc/34/81/64/518348164.db2.gz FBZXHYKKUKANAL-UHFFFAOYSA-N 1 0 371.441 2.946 20 5 FFBDRO COc1ccc2c(c1)OC[C@H]([NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)C2 ZINC000584477320 518360388 /nfs/dbraw/zinc/36/03/88/518360388.db2.gz NHIPHGSZJCBJPS-DJIMGWMZSA-N 1 0 372.425 2.877 20 5 FFBDRO CCC[C@H]1C[NH2+]CCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000572959340 518440049 /nfs/dbraw/zinc/44/00/49/518440049.db2.gz GNKCCNFOEGILBB-AWEZNQCLSA-N 1 0 360.439 2.932 20 5 FFBDRO O=[N+]([O-])c1cnc(NC[C@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)nc1 ZINC000564484110 518470448 /nfs/dbraw/zinc/47/04/48/518470448.db2.gz GGBMTCZIWAFSIX-OAHLLOKOSA-N 1 0 361.833 2.927 20 5 FFBDRO C[NH2+]CCS[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000567349954 518480683 /nfs/dbraw/zinc/48/06/83/518480683.db2.gz IQPRLNGIVLUPTD-QMMMGPOBSA-N 1 0 351.350 2.893 20 5 FFBDRO CN(CCC[N@H+](C)Cc1ccco1)c1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000581901153 518493226 /nfs/dbraw/zinc/49/32/26/518493226.db2.gz HJLKDDFUTNFIHZ-UHFFFAOYSA-N 1 0 371.397 2.795 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CCCn1ccc2ccccc21 ZINC000570272555 518526038 /nfs/dbraw/zinc/52/60/38/518526038.db2.gz GCRSFLLWERPQDY-KRWDZBQOSA-N 1 0 369.421 2.969 20 5 FFBDRO CC(C)[NH+](CCNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1)C(C)C ZINC000582050298 518564675 /nfs/dbraw/zinc/56/46/75/518564675.db2.gz HNPQZVOBWFFFON-UHFFFAOYSA-N 1 0 350.463 2.898 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)[C@H]1C[NH+]2CCC1CC2 ZINC000579271000 518601775 /nfs/dbraw/zinc/60/17/75/518601775.db2.gz CCGYMBSYKGNQJN-NHYWBVRUSA-N 1 0 367.833 2.568 20 5 FFBDRO CCCC[N@H+](C)CCNC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000567644093 518629818 /nfs/dbraw/zinc/62/98/18/518629818.db2.gz SDIDTVYZQAEVGN-UHFFFAOYSA-N 1 0 361.446 2.650 20 5 FFBDRO CC[NH+](CC)CC[C@@H](CO)Nc1ccc([N+](=O)[O-])cc1Br ZINC000573401358 518646994 /nfs/dbraw/zinc/64/69/94/518646994.db2.gz MTBXKRYNDXRFNC-NSHDSACASA-N 1 0 360.252 2.862 20 5 FFBDRO CCO[C@@H]1C[C@@H]([NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C12CCCC2 ZINC000582234054 518652871 /nfs/dbraw/zinc/65/28/71/518652871.db2.gz QIGJZMHGAXUEBJ-IAGOWNOFSA-N 1 0 361.442 2.885 20 5 FFBDRO COc1cccc(C[C@H](C)[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000564856970 518656843 /nfs/dbraw/zinc/65/68/43/518656843.db2.gz PIYPJJVEEGEYLZ-YOEHRIQHSA-N 1 0 360.410 2.564 20 5 FFBDRO COc1ccc(Cl)cc1C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000570557303 518665073 /nfs/dbraw/zinc/66/50/73/518665073.db2.gz MGIUMJSJNCWBBF-CQSZACIVSA-N 1 0 366.801 2.786 20 5 FFBDRO O=C(C1CC[NH+]([C@@H]2CCSC2)CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000576596555 518670102 /nfs/dbraw/zinc/67/01/02/518670102.db2.gz VYNQLBQBHFEPDE-MRXNPFEDSA-N 1 0 361.467 2.701 20 5 FFBDRO CCOc1ccc(NC(=O)CSCC2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000567809419 518724912 /nfs/dbraw/zinc/72/49/12/518724912.db2.gz TZXSDOIZSPJUAQ-UHFFFAOYSA-N 1 0 353.444 2.665 20 5 FFBDRO CN(C)c1noc([C@H]2CCC[N@H+](C/C=C\c3ccccc3[N+](=O)[O-])C2)n1 ZINC000588600589 518789302 /nfs/dbraw/zinc/78/93/02/518789302.db2.gz GDOHAWULFYCOEM-KKTNHOPESA-N 1 0 357.414 2.937 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](c2cccnc2)C1 ZINC000576869842 518803762 /nfs/dbraw/zinc/80/37/62/518803762.db2.gz DHJVPQSZBYLZIZ-OAHLLOKOSA-N 1 0 370.409 2.817 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC[C@]2(CCS(=O)(=O)C2)C1 ZINC000579797973 518855117 /nfs/dbraw/zinc/85/51/17/518855117.db2.gz WECFTDJJZUEZMA-PBHICJAKSA-N 1 0 352.456 2.865 20 5 FFBDRO COC1CCC(C)(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000573835388 518859139 /nfs/dbraw/zinc/85/91/39/518859139.db2.gz ODBINWRMZLQYDM-HJOIGYKYSA-N 1 0 352.431 2.519 20 5 FFBDRO COCC[NH2+]C1CCN(Cc2cc([N+](=O)[O-])ccc2OC(C)C)CC1 ZINC000568098386 518874171 /nfs/dbraw/zinc/87/41/71/518874171.db2.gz BEXDZUYIIRGCCD-UHFFFAOYSA-N 1 0 351.447 2.582 20 5 FFBDRO COc1cccc([C@@H]2C[C@H]2C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000579824845 518874357 /nfs/dbraw/zinc/87/43/57/518874357.db2.gz WSDILRJGXARWSH-BQFCYCMXSA-N 1 0 372.421 2.736 20 5 FFBDRO C[C@](CO)(C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000579958395 518939410 /nfs/dbraw/zinc/93/94/10/518939410.db2.gz BXBSNYYDPPIFRN-HXUWFJFHSA-N 1 0 371.437 2.754 20 5 FFBDRO C[C@H](O)C[C@@H]1CCCCC[N@@H+]1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000589187595 518943357 /nfs/dbraw/zinc/94/33/57/518943357.db2.gz BCCPRWHRCSTQOU-ZFWWWQNUSA-N 1 0 350.415 2.882 20 5 FFBDRO CCN(CC[NH+]1CCCCCC1)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000565413937 518943630 /nfs/dbraw/zinc/94/36/30/518943630.db2.gz PLSOQXDZMARYAN-UHFFFAOYSA-N 1 0 369.487 2.623 20 5 FFBDRO COc1ccccc1O[C@H](C)C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000571158625 518956097 /nfs/dbraw/zinc/95/60/97/518956097.db2.gz PMHDIZDRJKITLN-CQSZACIVSA-N 1 0 373.409 2.989 20 5 FFBDRO CCC[N@H+](CC)C[C@H](C)NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000589307556 518978311 /nfs/dbraw/zinc/97/83/11/518978311.db2.gz VVDYVERQIJIRTI-NSHDSACASA-N 1 0 363.867 2.647 20 5 FFBDRO CC[N@H+]1C[C@@H](C)N(C(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000565504865 518988164 /nfs/dbraw/zinc/98/81/64/518988164.db2.gz JHKRISHRRVFMFG-FRRDWIJNSA-N 1 0 369.849 2.957 20 5 FFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000589374954 518990560 /nfs/dbraw/zinc/99/05/60/518990560.db2.gz CZSPWYQIVBOAAU-UHFFFAOYSA-N 1 0 355.398 2.906 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(CN2CCC([NH+]3CCCCC3)CC2)c1 ZINC000589494298 519017161 /nfs/dbraw/zinc/01/71/61/519017161.db2.gz NECHLVZLGAWMGA-UHFFFAOYSA-N 1 0 361.442 2.832 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H](c2ccccc2)[C@@H]2CCCO2)c1 ZINC000580184545 519049072 /nfs/dbraw/zinc/04/90/72/519049072.db2.gz GXHKQOZHNVCVJL-HOJAQTOUSA-N 1 0 372.421 2.844 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2[C@H]3CCc4ccccc4[C@@H]23)c1 ZINC000565652244 519063947 /nfs/dbraw/zinc/06/39/47/519063947.db2.gz CMBZZTMULFMYSL-XWPNQZOQSA-N 1 0 354.406 2.653 20 5 FFBDRO O=[N+]([O-])c1ccc(OCCC[N@H+]2CC[C@](CO)(c3ccccc3)C2)cc1 ZINC000589749312 519075081 /nfs/dbraw/zinc/07/50/81/519075081.db2.gz HEMUECHEISISIC-FQEVSTJZSA-N 1 0 356.422 3.000 20 5 FFBDRO O=[N+]([O-])c1ccccc1CC[NH2+]C[C@H](O)COc1ccccc1Cl ZINC000571516226 519135372 /nfs/dbraw/zinc/13/53/72/519135372.db2.gz LGGOCCPMNKXKFN-AWEZNQCLSA-N 1 0 350.802 2.820 20 5 FFBDRO COC(=O)CC1([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CCCCC1 ZINC000568729514 519185580 /nfs/dbraw/zinc/18/55/80/519185580.db2.gz BZNQTWDVMFTKTH-UHFFFAOYSA-N 1 0 363.414 2.779 20 5 FFBDRO Cn1c(Sc2nc3c(cc2[N+](=O)[O-])CCCC3)nnc1[C@H]1CCC[NH2+]C1 ZINC000574515533 519191811 /nfs/dbraw/zinc/19/18/11/519191811.db2.gz GCQLXYVVNZRZHH-LBPRGKRZSA-N 1 0 374.470 2.615 20 5 FFBDRO CCc1ccc(S(=O)(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000568744808 519194668 /nfs/dbraw/zinc/19/46/68/519194668.db2.gz GFBMGVFMNBIOSU-ZDUSSCGKSA-N 1 0 369.487 2.508 20 5 FFBDRO COc1ncccc1CC[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000565922458 519198595 /nfs/dbraw/zinc/19/85/95/519198595.db2.gz KPCKIVHDSSPUIH-UHFFFAOYSA-N 1 0 353.325 2.932 20 5 FFBDRO Cc1[nH]nc2ncc(C[NH2+]CCc3c[nH]c4ccc([N+](=O)[O-])cc34)cc12 ZINC000571678316 519216804 /nfs/dbraw/zinc/21/68/04/519216804.db2.gz OMEJCSYGIOCLAN-UHFFFAOYSA-N 1 0 350.382 2.988 20 5 FFBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000590567159 519268505 /nfs/dbraw/zinc/26/85/05/519268505.db2.gz YQUORVRUPDSOIY-NHYWBVRUSA-N 1 0 360.439 2.883 20 5 FFBDRO CC(C)c1ccc(C(=O)N2CCOC[C@@H]2[C@@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000590566389 519268746 /nfs/dbraw/zinc/26/87/46/519268746.db2.gz ZRKUXBIHXYTAME-FUHWJXTLSA-N 1 0 361.442 2.653 20 5 FFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]Cc1ccc2c(c1)CCS2(=O)=O ZINC000571776330 519271081 /nfs/dbraw/zinc/27/10/81/519271081.db2.gz YHFOHBBKMITLRH-INIZCTEOSA-N 1 0 358.419 2.702 20 5 FFBDRO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@H](c1ccccc1)N(C)C ZINC000574686176 519281179 /nfs/dbraw/zinc/28/11/79/519281179.db2.gz KLRZEZRBFBWTDP-XAUMDUMWSA-N 1 0 373.453 2.616 20 5 FFBDRO Cc1ccnc([C@H]2CC[N@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)c1 ZINC000580656751 519288305 /nfs/dbraw/zinc/28/83/05/519288305.db2.gz FFVOGGAYXMPJKW-DOTOQJQBSA-N 1 0 357.410 2.527 20 5 FFBDRO C[C@H](C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1c(Cl)cccc1Cl ZINC000566109914 519305330 /nfs/dbraw/zinc/30/53/30/519305330.db2.gz FBCVHVINGXEDNV-ZYHUDNBSSA-N 1 0 373.240 2.852 20 5 FFBDRO C[C@@H]1CN(c2cc(N)c([N+](=O)[O-])c(CO)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000590723431 519332933 /nfs/dbraw/zinc/33/29/33/519332933.db2.gz ZSXFHDXZUGPIGU-HNNXBMFYSA-N 1 0 370.453 2.628 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2CCCN(c3ccccc3)C2)c1 ZINC000578006544 519367981 /nfs/dbraw/zinc/36/79/81/519367981.db2.gz IYKOCWNGOKHQEV-VQIMIIECSA-N 1 0 371.437 2.593 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)NCC3(C)CC[NH2+]CC3)cc2[N+](=O)[O-])C1 ZINC000583688136 519383154 /nfs/dbraw/zinc/38/31/54/519383154.db2.gz OBMWPXXXFVUHJN-OAHLLOKOSA-N 1 0 374.485 2.951 20 5 FFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000583782301 519428659 /nfs/dbraw/zinc/42/86/59/519428659.db2.gz FFUUNBLICGRCBM-INIZCTEOSA-N 1 0 364.446 2.636 20 5 FFBDRO CC(C)C[C@@](C)(C[NH3+])NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000578132912 519434918 /nfs/dbraw/zinc/43/49/18/519434918.db2.gz FTLYRSLJZSHHRI-IBGZPJMESA-N 1 0 362.474 2.691 20 5 FFBDRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C1CC1 ZINC000569229156 519444207 /nfs/dbraw/zinc/44/42/07/519444207.db2.gz AKMXVIKVNSOWFT-CXAGYDPISA-N 1 0 368.441 2.861 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1cccc(N2CCOCC2)n1 ZINC000580987008 519460924 /nfs/dbraw/zinc/46/09/24/519460924.db2.gz ZOALMYWXTRHZGT-HNNXBMFYSA-N 1 0 356.426 2.986 20 5 FFBDRO C[C@@H](C[N@H+](C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C(=O)OC(C)(C)C ZINC000590972807 519464907 /nfs/dbraw/zinc/46/49/07/519464907.db2.gz WBHUSBFEOMQNEJ-LBPRGKRZSA-N 1 0 366.414 2.776 20 5 FFBDRO COc1ccc(NC(=O)CC[N@@H+]2CC(C)(C)OCC2(C)C)c([N+](=O)[O-])c1 ZINC000591014726 519475557 /nfs/dbraw/zinc/47/55/57/519475557.db2.gz HUGDPKGQHDYJHL-UHFFFAOYSA-N 1 0 365.430 2.821 20 5 FFBDRO O=C(Nc1cccc2c1CC[NH2+]C2)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000569331435 519497080 /nfs/dbraw/zinc/49/70/80/519497080.db2.gz OMJIWJMZTGQKGQ-UHFFFAOYSA-N 1 0 368.393 2.536 20 5 FFBDRO C[C@H](C(=O)NC1CC[NH+](Cc2ccccn2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000572223224 519503736 /nfs/dbraw/zinc/50/37/36/519503736.db2.gz JHVBRJJZSZKGMQ-HNNXBMFYSA-N 1 0 368.437 2.874 20 5 FFBDRO CN(C)CC[N@H+](C)CCCNc1ccc([N+](=O)[O-])cc1Br ZINC000584015366 519547947 /nfs/dbraw/zinc/54/79/47/519547947.db2.gz CTJKINSWVAVIIL-UHFFFAOYSA-N 1 0 359.268 2.653 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000591299706 519580007 /nfs/dbraw/zinc/58/00/07/519580007.db2.gz YVEJQCAKWLZDSC-ZIAGYGMSSA-N 1 0 362.430 2.847 20 5 FFBDRO CCc1cc(N2CC[C@@H]3CC[NH2+][C@@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000591439616 519625056 /nfs/dbraw/zinc/62/50/56/519625056.db2.gz XGUDYQBPIIUZHJ-SUMWQHHRSA-N 1 0 353.426 2.802 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H](O)[C@H]1CCc1ccccc1 ZINC000602851523 519923793 /nfs/dbraw/zinc/92/37/93/519923793.db2.gz LOIRZUISEHHLNW-MSOLQXFVSA-N 1 0 358.442 2.558 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H](c2cccnc2)C1 ZINC000602856890 519927918 /nfs/dbraw/zinc/92/79/18/519927918.db2.gz STXWIYJJNHQBLB-SJORKVTESA-N 1 0 357.410 2.609 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](c3cccnc3)C2)c1 ZINC000602855822 519929717 /nfs/dbraw/zinc/92/97/17/519929717.db2.gz PQYMUTUFHUMHHG-SJLPKXTDSA-N 1 0 357.410 2.609 20 5 FFBDRO CCOc1cc(OC[C@H](O)C[N@H+](C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000616179498 519935135 /nfs/dbraw/zinc/93/51/35/519935135.db2.gz DXRJXBCVRVOSCM-MRXNPFEDSA-N 1 0 360.410 2.865 20 5 FFBDRO COc1cc(C[NH2+][C@H]([C@H]2CCCO2)C2(CO)CCC2)c([N+](=O)[O-])cc1F ZINC000602889840 519953172 /nfs/dbraw/zinc/95/31/72/519953172.db2.gz DYSFHDMNPULEAS-NVXWUHKLSA-N 1 0 368.405 2.542 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])cc1SC ZINC000591676378 519994460 /nfs/dbraw/zinc/99/44/60/519994460.db2.gz OFWUBWQXGZIUSQ-GWCFXTLKSA-N 1 0 353.444 2.525 20 5 FFBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]C3CCN(C[C@H]4CCCO4)CC3)c2c1 ZINC000594525116 520014177 /nfs/dbraw/zinc/01/41/77/520014177.db2.gz RZFGFZUUNDWNHV-GOSISDBHSA-N 1 0 372.469 2.852 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H]1COc2c1cccc2Cl ZINC000591753828 520022562 /nfs/dbraw/zinc/02/25/62/520022562.db2.gz LZNVXRSJKZPOHC-RISCZKNCSA-N 1 0 364.785 2.711 20 5 FFBDRO CC(C)OC1CCC([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000591756985 520024536 /nfs/dbraw/zinc/02/45/36/520024536.db2.gz MOXQBBNOSRRBHN-HWOWSKLDSA-N 1 0 352.431 2.660 20 5 FFBDRO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCCN(c2cc[nH+]cc2)CC1 ZINC000603084604 520070773 /nfs/dbraw/zinc/07/07/73/520070773.db2.gz VGUCCHYRZHYYML-UHFFFAOYSA-N 1 0 360.801 2.996 20 5 FFBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)Nc1cc(C[NH+](C)C)ccn1 ZINC000603149736 520110712 /nfs/dbraw/zinc/11/07/12/520110712.db2.gz ZBMYMIPADZBALH-UHFFFAOYSA-N 1 0 357.414 2.758 20 5 FFBDRO Cc1cc(OCC(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)ccc1[N+](=O)[O-] ZINC000600230520 520140157 /nfs/dbraw/zinc/14/01/57/520140157.db2.gz SYJKABQTDKJHJP-MRXNPFEDSA-N 1 0 361.442 2.805 20 5 FFBDRO CCc1ccc(S(=O)(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000594793932 520161605 /nfs/dbraw/zinc/16/16/05/520161605.db2.gz WPNGTOUOTVVYII-CYBMUJFWSA-N 1 0 369.487 2.556 20 5 FFBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(Cn2cc([C@H]3CCC[NH2+]C3)nn2)c1 ZINC000603230515 520169289 /nfs/dbraw/zinc/16/92/89/520169289.db2.gz ATPRTVYNJHDBJF-JTQLQIEISA-N 1 0 355.320 2.720 20 5 FFBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000609018100 520178729 /nfs/dbraw/zinc/17/87/29/520178729.db2.gz PHZFNZAWZVBBCY-KRWDZBQOSA-N 1 0 356.426 2.890 20 5 FFBDRO CC[N@H+](C)[C@@H](C(=O)NCCNc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000609029691 520180084 /nfs/dbraw/zinc/18/00/84/520180084.db2.gz WHMNOLJMWHJBMO-GOSISDBHSA-N 1 0 356.426 2.816 20 5 FFBDRO Cc1ccccc1C1([NH2+]CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000592139840 520214017 /nfs/dbraw/zinc/21/40/17/520214017.db2.gz KEVFMXCBEUQAPB-UHFFFAOYSA-N 1 0 369.377 2.849 20 5 FFBDRO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2ccc(O[C@H]3CCOC3)cc2)cc1 ZINC000594928515 520220501 /nfs/dbraw/zinc/22/05/01/520220501.db2.gz ZTMIZFGJQYIODY-IBGZPJMESA-N 1 0 358.394 2.931 20 5 FFBDRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000609187725 520222872 /nfs/dbraw/zinc/22/28/72/520222872.db2.gz KPXZIMDNQSRISZ-HNNXBMFYSA-N 1 0 361.398 2.524 20 5 FFBDRO COCCN(CC[NH+](C)C)C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000609189192 520224736 /nfs/dbraw/zinc/22/47/36/520224736.db2.gz LLJNYZQDGZKKIP-UHFFFAOYSA-N 1 0 351.447 2.543 20 5 FFBDRO O=C(NCc1ccccc1)[C@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000592155528 520231619 /nfs/dbraw/zinc/23/16/19/520231619.db2.gz OFPBNIIRDSPVEK-KRWDZBQOSA-N 1 0 369.421 2.612 20 5 FFBDRO O=C(NCc1ccccc1)[C@@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000592155206 520232285 /nfs/dbraw/zinc/23/22/85/520232285.db2.gz MSZVLKUBBIJBGZ-QGZVFWFLSA-N 1 0 369.421 2.612 20 5 FFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000609203662 520232460 /nfs/dbraw/zinc/23/24/60/520232460.db2.gz MRKVWJYUJCYOQA-GOSISDBHSA-N 1 0 363.458 2.679 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2Cc3ccccc3[C@@H]2C)cc1[N+](=O)[O-] ZINC000594969966 520234066 /nfs/dbraw/zinc/23/40/66/520234066.db2.gz AMVGQLNTQKAMBU-SUMWQHHRSA-N 1 0 370.405 2.965 20 5 FFBDRO COc1ccc(Cc2nc(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)no2)cc1[N+](=O)[O-] ZINC000612954199 520235783 /nfs/dbraw/zinc/23/57/83/520235783.db2.gz CYZIREUHQIYXRR-AGUYFDCRSA-N 1 0 358.398 2.917 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000595036987 520264827 /nfs/dbraw/zinc/26/48/27/520264827.db2.gz ZACGCCMPWVGAQR-AWEZNQCLSA-N 1 0 374.441 2.790 20 5 FFBDRO Cn1ccnc1[C@@H](NC[C@@H]1CC[N@@H+]1C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000595050611 520270608 /nfs/dbraw/zinc/27/06/08/520270608.db2.gz SREDMIIONOYHMM-IRXDYDNUSA-N 1 0 357.458 2.880 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000597859317 520286066 /nfs/dbraw/zinc/28/60/66/520286066.db2.gz UKJNVFLEUNDRQU-LLVKDONJSA-N 1 0 370.247 2.960 20 5 FFBDRO COC1CC[NH+](C(C)(C)CNC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000609355793 520292991 /nfs/dbraw/zinc/29/29/91/520292991.db2.gz DGQAJIJXZSXKBM-UHFFFAOYSA-N 1 0 364.446 2.914 20 5 FFBDRO CCS(=O)(=O)C1(C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC000595098614 520293067 /nfs/dbraw/zinc/29/30/67/520293067.db2.gz CMGRBLXAYDBEFK-HOCLYGCPSA-N 1 0 366.483 2.863 20 5 FFBDRO O=c1ccc2c([nH]1)CCC[C@@H]2[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000609359332 520294608 /nfs/dbraw/zinc/29/46/08/520294608.db2.gz NGHKWEYLNUVZIG-ZDUSSCGKSA-N 1 0 357.366 2.634 20 5 FFBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C1CCN([C@@H]2CCOC2)CC1)C1CC1 ZINC000595102183 520294968 /nfs/dbraw/zinc/29/49/68/520294968.db2.gz LANXIYSWSPOQIF-RTBURBONSA-N 1 0 359.470 2.759 20 5 FFBDRO CCCc1n[nH]c(C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000609476782 520322917 /nfs/dbraw/zinc/32/29/17/520322917.db2.gz REXKPCAQHDTPFP-GFCCVEGCSA-N 1 0 351.451 2.511 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)c1C ZINC000603659050 520337136 /nfs/dbraw/zinc/33/71/36/520337136.db2.gz UGOKHXACJLLPPF-OCCSQVGLSA-N 1 0 369.487 2.610 20 5 FFBDRO CCN(C(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C)C1 ZINC000597945544 520344980 /nfs/dbraw/zinc/34/49/80/520344980.db2.gz HYFJKDQNYHKUFI-GFCCVEGCSA-N 1 0 370.247 2.832 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000595226160 520360979 /nfs/dbraw/zinc/36/09/79/520360979.db2.gz QVTOZKARPCLGLU-SJLPKXTDSA-N 1 0 357.385 2.999 20 5 FFBDRO C[C@@H](CCNC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1)[NH+](C)C ZINC000597994574 520366694 /nfs/dbraw/zinc/36/66/94/520366694.db2.gz BVKIULRLRIEXON-GJZGRUSLSA-N 1 0 362.474 2.901 20 5 FFBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000595236245 520367082 /nfs/dbraw/zinc/36/70/82/520367082.db2.gz XTTIKLZAYQCLSV-GOSISDBHSA-N 1 0 370.409 2.620 20 5 FFBDRO [NH3+]C[C@H]1CCCc2ccc(C(=O)NCCc3ccc([N+](=O)[O-])cc3)cc21 ZINC000595247891 520370165 /nfs/dbraw/zinc/37/01/65/520370165.db2.gz BGGLDKKJYPHDQO-QGZVFWFLSA-N 1 0 353.422 2.946 20 5 FFBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000595263556 520378474 /nfs/dbraw/zinc/37/84/74/520378474.db2.gz FIJDIUVZEVUNAE-KRWDZBQOSA-N 1 0 360.458 2.559 20 5 FFBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000595264212 520378647 /nfs/dbraw/zinc/37/86/47/520378647.db2.gz NHPNOWQVWGKBRR-QZTJIDSGSA-N 1 0 372.400 2.679 20 5 FFBDRO COc1ccc(NC(=O)CC[N@@H+]2CCOc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000603909090 520400482 /nfs/dbraw/zinc/40/04/82/520400482.db2.gz HGJJDGJZZDSIKB-UHFFFAOYSA-N 1 0 371.393 2.827 20 5 FFBDRO Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CC[C@@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000592471489 520403227 /nfs/dbraw/zinc/40/32/27/520403227.db2.gz MCKOUYMGZWODON-HNAYVOBHSA-N 1 0 368.437 2.864 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2noc(CN3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)n2)c1 ZINC000592478693 520406637 /nfs/dbraw/zinc/40/66/37/520406637.db2.gz IGEFJCQRQNEVED-HOCLYGCPSA-N 1 0 357.414 2.609 20 5 FFBDRO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000609705267 520411248 /nfs/dbraw/zinc/41/12/48/520411248.db2.gz NEGHAMSYECYZPG-TZMCWYRMSA-N 1 0 369.849 2.611 20 5 FFBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000609708835 520412248 /nfs/dbraw/zinc/41/22/48/520412248.db2.gz UVAWWJNEHBHFEJ-OAHLLOKOSA-N 1 0 357.476 2.548 20 5 FFBDRO Cc1c(NC(=O)CCN2CCc3ccccc3[C@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000592494843 520419049 /nfs/dbraw/zinc/41/90/49/520419049.db2.gz ABNMEDTZMNITKY-LJQANCHMSA-N 1 0 368.437 2.790 20 5 FFBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000609851101 520457497 /nfs/dbraw/zinc/45/74/97/520457497.db2.gz ALNFYMKIKCYMLG-KRWDZBQOSA-N 1 0 374.485 2.802 20 5 FFBDRO C[N@@H+]1CCC[C@@H](NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000604197939 520480860 /nfs/dbraw/zinc/48/08/60/520480860.db2.gz CBNJSXDEUUNXQG-GFCCVEGCSA-N 1 0 374.363 2.626 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@H](O)C3CCOCC3)cs2)c1 ZINC000609919278 520482674 /nfs/dbraw/zinc/48/26/74/520482674.db2.gz XNQXLZXLGNAQHI-INIZCTEOSA-N 1 0 363.439 2.595 20 5 FFBDRO CCOc1cc(C[N@@H+]2CCC[C@H](N3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000595473003 520493418 /nfs/dbraw/zinc/49/34/18/520493418.db2.gz RZUDLFWBRNIKPW-KRWDZBQOSA-N 1 0 363.458 2.680 20 5 FFBDRO CC(C)C[NH2+]C1(CO)CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000595511424 520521798 /nfs/dbraw/zinc/52/17/98/520521798.db2.gz KBMGCALZXTWURN-UHFFFAOYSA-N 1 0 355.866 2.821 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)C[C@H]1C ZINC000610135391 520553807 /nfs/dbraw/zinc/55/38/07/520553807.db2.gz RADXFTVMNWARDZ-UKRRQHHQSA-N 1 0 369.487 2.705 20 5 FFBDRO CCC[N@@H+]1CC[C@@H](NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000598341906 520564763 /nfs/dbraw/zinc/56/47/63/520564763.db2.gz IBHOSPCMAISJDK-GFCCVEGCSA-N 1 0 356.220 2.571 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000595585129 520570997 /nfs/dbraw/zinc/57/09/97/520570997.db2.gz LPJGAHTYVKANKA-AWEZNQCLSA-N 1 0 368.865 2.963 20 5 FFBDRO COC[C@@H]([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1CCOCC1 ZINC000595616025 520595200 /nfs/dbraw/zinc/59/52/00/520595200.db2.gz PLMLPHDNSPTTJX-QGZVFWFLSA-N 1 0 361.398 2.781 20 5 FFBDRO C[N@@H+]1C[C@@H](CNC(=O)Cc2cccc([N+](=O)[O-])c2)[C@H](c2ccccc2)C1 ZINC000592883123 520633083 /nfs/dbraw/zinc/63/30/83/520633083.db2.gz XEXXXEAQIKYTFH-MJGOQNOKSA-N 1 0 353.422 2.599 20 5 FFBDRO C[N@@H+](Cc1ccc(Cl)cc1Cl)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000610335348 520641103 /nfs/dbraw/zinc/64/11/03/520641103.db2.gz LILQZIUTCXNADR-CYBMUJFWSA-N 1 0 359.213 2.591 20 5 FFBDRO O=C(NCC1CC[NH+](CC2CC2)CC1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000598543174 520691680 /nfs/dbraw/zinc/69/16/80/520691680.db2.gz RXSNOWQCVFNEMV-RBUKOAKNSA-N 1 0 357.454 2.937 20 5 FFBDRO COc1cc(Nc2cnn(C3CC[NH+](C)CC3)c2)c([N+](=O)[O-])cc1OC ZINC000601226536 520697263 /nfs/dbraw/zinc/69/72/63/520697263.db2.gz NFCIVCJHFBUATH-UHFFFAOYSA-N 1 0 361.402 2.819 20 5 FFBDRO CCOc1ccc(C(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000598560081 520705276 /nfs/dbraw/zinc/70/52/76/520705276.db2.gz KNMRMMQGEJOVHU-HNNXBMFYSA-N 1 0 361.442 2.845 20 5 FFBDRO COc1cc(C[N@@H+]2C[C@@H]3COC[C@]3(C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000595761037 520705210 /nfs/dbraw/zinc/70/52/10/520705210.db2.gz WDTMZBLQVKFLSJ-BZNIZROVSA-N 1 0 358.341 2.673 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC[N@H+](C[C@@H]3CCCO3)CC2)c2ccncc21 ZINC000610489250 520712532 /nfs/dbraw/zinc/71/25/32/520712532.db2.gz SNOBOYBTUWUBDX-HNNXBMFYSA-N 1 0 356.426 2.834 20 5 FFBDRO C[C@H]([NH2+][C@H]1CCC[C@@H]1Cc1cnn(C)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000595772463 520713117 /nfs/dbraw/zinc/71/31/17/520713117.db2.gz TWFVUIWVYGAMBF-JOQOYGCGSA-N 1 0 371.441 2.656 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H]1CCC[C@@H]1Cc1cnn(C)c1 ZINC000595774007 520715291 /nfs/dbraw/zinc/71/52/91/520715291.db2.gz ZAZJKSDKZDDWPT-CVEARBPZSA-N 1 0 371.441 2.576 20 5 FFBDRO COC(=O)c1ccnc(NC[C@H]2CCC[N@@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000598598727 520735559 /nfs/dbraw/zinc/73/55/59/520735559.db2.gz UADDUSUUDNASHE-OAHLLOKOSA-N 1 0 370.409 2.853 20 5 FFBDRO C[N@@H+]1CCN(CCOc2ccc([N+](=O)[O-])cc2)[C@@H](Cc2ccccc2)C1 ZINC000593088512 520735613 /nfs/dbraw/zinc/73/56/13/520735613.db2.gz FYYVUUUFBKWYCT-IBGZPJMESA-N 1 0 355.438 2.832 20 5 FFBDRO C[C@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000610572579 520745081 /nfs/dbraw/zinc/74/50/81/520745081.db2.gz XNRIGWSGYKUQSC-JTQLQIEISA-N 1 0 370.247 2.817 20 5 FFBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC2(CCc3ccccc3O2)CC1 ZINC000595827064 520750952 /nfs/dbraw/zinc/75/09/52/520750952.db2.gz AEMZEQAQCIJCQI-UHFFFAOYSA-N 1 0 369.421 2.616 20 5 FFBDRO CN(CC[NH+]1CCCCC1)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000593113396 520753839 /nfs/dbraw/zinc/75/38/39/520753839.db2.gz ZUWABUBJOKWDBD-UHFFFAOYSA-N 1 0 354.838 2.604 20 5 FFBDRO COc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](CO)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000598645780 520757700 /nfs/dbraw/zinc/75/77/00/520757700.db2.gz IBTUWDKYMAGNCT-DGCLKSJQSA-N 1 0 374.384 2.698 20 5 FFBDRO Cc1cc(S(=O)(=O)NC2CC[NH+](C3CCCC3)CC2)c([N+](=O)[O-])s1 ZINC000601365510 520759562 /nfs/dbraw/zinc/75/95/62/520759562.db2.gz UQHJICYSGZRGPG-UHFFFAOYSA-N 1 0 373.500 2.650 20 5 FFBDRO Cc1ccc(S(=O)(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]2)c(C)c1[N+](=O)[O-] ZINC000598714177 520804560 /nfs/dbraw/zinc/80/45/60/520804560.db2.gz GDYSIPJMBZGFFC-GJZGRUSLSA-N 1 0 367.471 2.507 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1c2ccccc2CC[C@@H]1C[NH3+] ZINC000595903309 520809437 /nfs/dbraw/zinc/80/94/37/520809437.db2.gz SYISWDJCOVVERV-MRXNPFEDSA-N 1 0 354.410 2.622 20 5 FFBDRO C[C@@H]1[C@@H](C)[N@@H+](C)C[C@H](C)N1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000593187553 520811486 /nfs/dbraw/zinc/81/14/86/520811486.db2.gz LSZIVBFEAFPINF-ARFHVFGLSA-N 1 0 374.485 2.751 20 5 FFBDRO C[C@@H]1C[N@H+](C)[C@H](C)[C@H](C)N1C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000593189611 520812667 /nfs/dbraw/zinc/81/26/67/520812667.db2.gz VOMSYWOUBLPUJM-MXWKQRLJSA-N 1 0 357.357 2.749 20 5 FFBDRO [NH3+]C[C@H]1OCC[C@@H]1C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000595943208 520833576 /nfs/dbraw/zinc/83/35/76/520833576.db2.gz HMMHIWPCLXDMKB-DLBZAZTESA-N 1 0 357.366 2.689 20 5 FFBDRO COc1ccccc1[C@H](CNc1cc[nH]c(=O)c1[N+](=O)[O-])[NH+]1CCCC1 ZINC000596056017 520883846 /nfs/dbraw/zinc/88/38/46/520883846.db2.gz VBZGSDDPRWMMBH-HNNXBMFYSA-N 1 0 358.398 2.953 20 5 FFBDRO Cc1ccccc1C[N@@H+]1CCCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596077508 520897528 /nfs/dbraw/zinc/89/75/28/520897528.db2.gz RKPOPFDZZDHMQB-UHFFFAOYSA-N 1 0 368.437 2.714 20 5 FFBDRO CC1([NH+]2CCCC2)CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000601740581 520929034 /nfs/dbraw/zinc/92/90/34/520929034.db2.gz VSFVDHABBPCJPE-UHFFFAOYSA-N 1 0 361.442 2.841 20 5 FFBDRO COC(=O)c1c(Cl)c(N2CCc3[nH+]ccc(N)c3C2)ccc1[N+](=O)[O-] ZINC000598940885 520932466 /nfs/dbraw/zinc/93/24/66/520932466.db2.gz BMFFUVSIZCRYJO-UHFFFAOYSA-N 1 0 362.773 2.575 20 5 FFBDRO COC(=O)c1c(Cl)c(N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000596150991 520940728 /nfs/dbraw/zinc/94/07/28/520940728.db2.gz GWDIBOVKSOTSEH-QWRGUYRKSA-N 1 0 355.822 2.811 20 5 FFBDRO Cc1cccc(CN(CC[NH+](C)C)c2ccc([N+](=O)[O-])c(C(N)=O)c2)c1 ZINC000596158597 520943091 /nfs/dbraw/zinc/94/30/91/520943091.db2.gz AHTPNRNONQISOO-UHFFFAOYSA-N 1 0 356.426 2.570 20 5 FFBDRO NC(=O)c1cc(NC[C@H]2CC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000596223608 520978568 /nfs/dbraw/zinc/97/85/68/520978568.db2.gz PTCUKSJFOGSIMW-OAHLLOKOSA-N 1 0 354.410 2.628 20 5 FFBDRO C[C@H]1CN(c2ccc(C(F)(F)F)c([N+](=O)[O-])c2)CC[N@@H+]1CC(C)(C)O ZINC000596223947 520978813 /nfs/dbraw/zinc/97/88/13/520978813.db2.gz VDGPPOSKYPUAFT-NSHDSACASA-N 1 0 361.364 2.895 20 5 FFBDRO O=[N+]([O-])c1ccc2[nH]c(CN3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)nc2c1 ZINC000618288440 520982824 /nfs/dbraw/zinc/98/28/24/520982824.db2.gz PURCUXIFKJLTOG-SCLBCKFNSA-N 1 0 355.442 2.920 20 5 FFBDRO COc1cc(N2CCC(CO)([NH2+]CC(C)C)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596254537 520996205 /nfs/dbraw/zinc/99/62/05/520996205.db2.gz PAOMCUNKRXUPOB-UHFFFAOYSA-N 1 0 371.865 2.834 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)nccc2N1CCC(C[NH+]2CCOCC2)CC1 ZINC000593454426 521002056 /nfs/dbraw/zinc/00/20/56/521002056.db2.gz HVNKSGYWWULIIJ-UHFFFAOYSA-N 1 0 356.426 2.692 20 5 FFBDRO O=[N+]([O-])c1cccc2c1ccnc2N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000596269024 521002468 /nfs/dbraw/zinc/00/24/68/521002468.db2.gz QXAFAEIGIGHMHT-UHFFFAOYSA-N 1 0 356.426 2.834 20 5 FFBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000611161629 521017196 /nfs/dbraw/zinc/01/71/96/521017196.db2.gz VAAWMVBBADTBBV-UHFFFAOYSA-N 1 0 352.354 2.540 20 5 FFBDRO CC(C)(C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)C(=O)N1CCCC1 ZINC000599087722 521025246 /nfs/dbraw/zinc/02/52/46/521025246.db2.gz FOHRJJVNFHFMQB-GJZGRUSLSA-N 1 0 363.462 2.513 20 5 FFBDRO O=[N+]([O-])c1cnc(N2CCO[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]32)s1 ZINC000593496324 521031611 /nfs/dbraw/zinc/03/16/11/521031611.db2.gz NZMWOXOSKOPVTL-HUUCEWRRSA-N 1 0 360.439 2.531 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCCc2cccc(C[NH3+])c21 ZINC000599103302 521032925 /nfs/dbraw/zinc/03/29/25/521032925.db2.gz QZELGMNYPJGLHJ-UHFFFAOYSA-N 1 0 361.423 2.503 20 5 FFBDRO CN(CC[NH+]1CCCCC1)c1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000593515271 521043791 /nfs/dbraw/zinc/04/37/91/521043791.db2.gz FCNYMKOQDPZJCS-UHFFFAOYSA-N 1 0 360.458 2.753 20 5 FFBDRO Cc1c(Br)c(NC[C@H]2CCCC[N@@H+](C)C2)ncc1[N+](=O)[O-] ZINC000599140258 521050575 /nfs/dbraw/zinc/05/05/75/521050575.db2.gz UAPLXMSTWKTSSF-LLVKDONJSA-N 1 0 357.252 2.626 20 5 FFBDRO COc1cccc(NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)c1[N+](=O)[O-] ZINC000596425277 521064972 /nfs/dbraw/zinc/06/49/72/521064972.db2.gz XKWKQFUTOJIMJN-INIZCTEOSA-N 1 0 357.410 2.782 20 5 FFBDRO C[NH+](C)CCC[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000596496347 521100591 /nfs/dbraw/zinc/10/05/91/521100591.db2.gz CWHUDHMKQKZEJC-ZDUSSCGKSA-N 1 0 370.837 2.823 20 5 FFBDRO C[C@@H]([NH2+]CCc1nnnn1C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000611327861 521101466 /nfs/dbraw/zinc/10/14/66/521101466.db2.gz XYCGHRFKVNLGOK-LLVKDONJSA-N 1 0 358.427 2.740 20 5 FFBDRO O=C(C[N@@H+]1CCC[C@H](C[C@H]2CCOC2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000611350128 521113301 /nfs/dbraw/zinc/11/33/01/521113301.db2.gz BRTYKDKVHLWBCO-HZPDHXFCSA-N 1 0 373.453 2.623 20 5 FFBDRO Cc1cc(N2CCO[C@H](CCC[NH+](C)C)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000596566743 521135276 /nfs/dbraw/zinc/13/52/76/521135276.db2.gz KCVLEUUAPJLXAP-OAHLLOKOSA-N 1 0 358.442 2.998 20 5 FFBDRO C[C@H](CCNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[NH+](C)C ZINC000596585619 521146238 /nfs/dbraw/zinc/14/62/38/521146238.db2.gz ONWLGVGZHCORKP-SNVBAGLBSA-N 1 0 362.352 2.753 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCCc2c1ccc(=O)n2C ZINC000593694438 521159844 /nfs/dbraw/zinc/15/98/44/521159844.db2.gz MLIYHMIGCSHRIQ-INIZCTEOSA-N 1 0 357.410 2.859 20 5 FFBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCc1ccc(C[NH3+])cc1F ZINC000593720723 521175071 /nfs/dbraw/zinc/17/50/71/521175071.db2.gz LVHWTADENQLGND-UHFFFAOYSA-N 1 0 360.389 2.577 20 5 FFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CC(=O)N(CC)C1 ZINC000593722741 521176438 /nfs/dbraw/zinc/17/64/38/521176438.db2.gz LLDQLMDQUIIIKM-KBPBESRZSA-N 1 0 351.472 2.924 20 5 FFBDRO C[C@@H]1CCCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1CC[NH3+] ZINC000593735005 521182077 /nfs/dbraw/zinc/18/20/77/521182077.db2.gz TWMRNAURFYPEDF-IAQYHMDHSA-N 1 0 354.838 2.636 20 5 FFBDRO Cc1ccc(NC(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc1[N+](=O)[O-] ZINC000593758630 521197703 /nfs/dbraw/zinc/19/77/03/521197703.db2.gz MVICZSDRPKYDQR-JJRVBVJISA-N 1 0 362.430 2.653 20 5 FFBDRO Cc1c(NC(=O)NCCC2(C[NH3+])CC2)cc(Br)cc1[N+](=O)[O-] ZINC000593763989 521201191 /nfs/dbraw/zinc/20/11/91/521201191.db2.gz UYVRWKONSNNJGK-UHFFFAOYSA-N 1 0 371.235 2.916 20 5 FFBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000611523785 521201903 /nfs/dbraw/zinc/20/19/03/521201903.db2.gz OMCPXOIAMSSHBG-HNNXBMFYSA-N 1 0 368.865 2.964 20 5 FFBDRO COc1cc(N2C[C@H](SC)[C@@H]([NH+]3CCCC3)C2)c(F)cc1[N+](=O)[O-] ZINC000614978051 521218468 /nfs/dbraw/zinc/21/84/68/521218468.db2.gz VBGXQPUXRRERRB-HOCLYGCPSA-N 1 0 355.435 2.759 20 5 FFBDRO COc1cc(N2C[C@@H](SC)[C@H]([NH+]3CCCC3)C2)c(F)cc1[N+](=O)[O-] ZINC000614978049 521218618 /nfs/dbraw/zinc/21/86/18/521218618.db2.gz VBGXQPUXRRERRB-GDBMZVCRSA-N 1 0 355.435 2.759 20 5 FFBDRO C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(-n2cncn2)cc1 ZINC000611562220 521221711 /nfs/dbraw/zinc/22/17/11/521221711.db2.gz UFQJDDRNXJSFBH-LBPRGKRZSA-N 1 0 363.381 2.903 20 5 FFBDRO CCCC[N@H+](C)CCNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599453814 521236484 /nfs/dbraw/zinc/23/64/84/521236484.db2.gz BOBWKZZQQJHUIE-UHFFFAOYSA-N 1 0 358.236 2.819 20 5 FFBDRO C[N@@H+]1CCC[C@@H](NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])C1 ZINC000618829907 521254680 /nfs/dbraw/zinc/25/46/80/521254680.db2.gz TWZMIRCQNHBZOS-MRXNPFEDSA-N 1 0 369.421 2.998 20 5 FFBDRO O=[N+]([O-])c1ccc(OCCC[NH2+][C@@H](CO)c2c(F)cccc2F)cc1 ZINC000611681888 521278253 /nfs/dbraw/zinc/27/82/53/521278253.db2.gz RCRTVVMIIRPZCF-INIZCTEOSA-N 1 0 352.337 2.965 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000596787153 521283722 /nfs/dbraw/zinc/28/37/22/521283722.db2.gz GARFUHAHSNZTQS-AWEZNQCLSA-N 1 0 365.478 2.605 20 5 FFBDRO C[NH+](C)[C@H](CNc1ncnc2ccc([N+](=O)[O-])cc21)c1cccc(F)c1 ZINC000611700303 521286925 /nfs/dbraw/zinc/28/69/25/521286925.db2.gz ONVICPVBYPHQBO-QGZVFWFLSA-N 1 0 355.373 2.814 20 5 FFBDRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)c3c(Cl)cccc3[N+](=O)[O-])C2)C1 ZINC000593910681 521287682 /nfs/dbraw/zinc/28/76/82/521287682.db2.gz BDDHLZRHMWTJOG-ZOWXZIJZSA-N 1 0 367.833 2.607 20 5 FFBDRO CCOc1cc(C(=O)N2CCC[C@H](C)[C@H]2CC[NH3+])c([N+](=O)[O-])cc1OC ZINC000593933942 521299591 /nfs/dbraw/zinc/29/95/91/521299591.db2.gz GYWXYOQZKMTZHY-GXTWGEPZSA-N 1 0 365.430 2.592 20 5 FFBDRO CN(C(=O)c1c(Br)cccc1[N+](=O)[O-])[C@H]1CCC[N@H+](C)C1 ZINC000599576515 521308431 /nfs/dbraw/zinc/30/84/31/521308431.db2.gz ONVAJPFKTDSVBI-JTQLQIEISA-N 1 0 356.220 2.524 20 5 FFBDRO COc1ccc(NC(=O)N[C@H](C)C[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000596830179 521316429 /nfs/dbraw/zinc/31/64/29/521316429.db2.gz APRKZPJTKOSIQD-CYBMUJFWSA-N 1 0 350.419 2.845 20 5 FFBDRO COc1ccc(NC(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000596830180 521317216 /nfs/dbraw/zinc/31/72/16/521317216.db2.gz APRKZPJTKOSIQD-ZDUSSCGKSA-N 1 0 350.419 2.845 20 5 FFBDRO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N[C@@H]1CC[NH2+]C12CCC2 ZINC000599595966 521319460 /nfs/dbraw/zinc/31/94/60/521319460.db2.gz PJFKQDRVNOADAG-GFCCVEGCSA-N 1 0 356.329 2.602 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000596843285 521325802 /nfs/dbraw/zinc/32/58/02/521325802.db2.gz JDWUKJVGLOCXHY-INIZCTEOSA-N 1 0 370.409 2.999 20 5 FFBDRO C[NH2+]CCOCCN(C)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000599604796 521327476 /nfs/dbraw/zinc/32/74/76/521327476.db2.gz QWPKRDKIPAAGSQ-UHFFFAOYSA-N 1 0 352.435 2.592 20 5 FFBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000599608890 521328415 /nfs/dbraw/zinc/32/84/15/521328415.db2.gz DDLUKQDRONXCEI-LLVKDONJSA-N 1 0 370.247 2.771 20 5 FFBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000599608891 521328750 /nfs/dbraw/zinc/32/87/50/521328750.db2.gz DDLUKQDRONXCEI-NSHDSACASA-N 1 0 370.247 2.771 20 5 FFBDRO CC1([NH+]2CCOCC2)CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000599622276 521338938 /nfs/dbraw/zinc/33/89/38/521338938.db2.gz JZZFKOLPMIHRAQ-UHFFFAOYSA-N 1 0 355.385 2.560 20 5 FFBDRO COc1cccc(C[C@@H]([NH3+])C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1 ZINC000602446301 521351129 /nfs/dbraw/zinc/35/11/29/521351129.db2.gz AZWAGEWJSLXNCF-LJQANCHMSA-N 1 0 371.437 2.910 20 5 FFBDRO Cc1nc2ccccc2n1C[C@H]1CCC[N@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602487394 521375637 /nfs/dbraw/zinc/37/56/37/521375637.db2.gz ZKJRGLAQRDXYLF-OAHLLOKOSA-N 1 0 354.414 2.651 20 5 FFBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599664461 521377044 /nfs/dbraw/zinc/37/70/44/521377044.db2.gz NVPYQZDHSCTMJX-JOYOIKCWSA-N 1 0 368.231 2.570 20 5 FFBDRO Cc1cccc(OCC[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1 ZINC000602501555 521381966 /nfs/dbraw/zinc/38/19/66/521381966.db2.gz FCFYGQZFYZFKAR-UHFFFAOYSA-N 1 0 356.426 2.936 20 5 FFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[NH+](CCCF)CC1 ZINC000599672719 521388569 /nfs/dbraw/zinc/38/85/69/521388569.db2.gz USILLBXXCLBXRW-GFCCVEGCSA-N 1 0 372.828 2.552 20 5 FFBDRO C[NH+](C)CCOc1ccccc1CNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602525863 521395223 /nfs/dbraw/zinc/39/52/23/521395223.db2.gz SVPDKPKEFYABOU-UHFFFAOYSA-N 1 0 370.409 2.966 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](C)c1cnccc1C ZINC000611939223 521401945 /nfs/dbraw/zinc/40/19/45/521401945.db2.gz PKEFYGHXFRFDQG-CYBMUJFWSA-N 1 0 358.398 2.986 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](C)c1cnccc1C ZINC000611940140 521401984 /nfs/dbraw/zinc/40/19/84/521401984.db2.gz UEQCOCLXHPWZOP-CYBMUJFWSA-N 1 0 358.398 2.986 20 5 FFBDRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])C1 ZINC000594103015 521404584 /nfs/dbraw/zinc/40/45/84/521404584.db2.gz SKJMELFPELUQSV-OTVXOJSOSA-N 1 0 354.410 2.727 20 5 FFBDRO CC1(C)[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)[C@@H]2CCCO[C@H]21 ZINC000602563419 521413411 /nfs/dbraw/zinc/41/34/11/521413411.db2.gz ZSYFXFVMARGFRC-CGTJXYLNSA-N 1 0 360.458 2.752 20 5 FFBDRO COc1ccc([C@@H]([NH2+]CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C2CC2)cn1 ZINC000599702705 521414889 /nfs/dbraw/zinc/41/48/89/521414889.db2.gz XTFBWJXAEZMTNM-IBGZPJMESA-N 1 0 370.409 2.986 20 5 FFBDRO C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602568321 521415654 /nfs/dbraw/zinc/41/56/54/521415654.db2.gz JPKZCOGVYAIJRH-UFBFGSQYSA-N 1 0 360.277 2.991 20 5 FFBDRO O=[N+]([O-])c1sc(C[NH2+][C@@H]2CCc3c[nH]nc3C2)cc1Br ZINC000602569540 521415741 /nfs/dbraw/zinc/41/57/41/521415741.db2.gz SXTLQMGGWGWQQC-MRVPVSSYSA-N 1 0 357.233 2.789 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCC[C@H]3CCCC[C@@H]3O)CC2)cn1 ZINC000602578147 521420092 /nfs/dbraw/zinc/42/00/92/521420092.db2.gz VWXSTVXNQYQGIA-QAPCUYQASA-N 1 0 362.474 2.880 20 5 FFBDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3ccccc3OCCCCO)CC2)n1 ZINC000602641485 521451565 /nfs/dbraw/zinc/45/15/65/521451565.db2.gz SDUJBEHXQBWWQZ-UHFFFAOYSA-N 1 0 374.441 2.780 20 5 FFBDRO CC1=CC[N@H+](CCNC(=O)c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000599759582 521454055 /nfs/dbraw/zinc/45/40/55/521454055.db2.gz FJZIKFNXHQYOMA-UHFFFAOYSA-N 1 0 368.231 2.739 20 5 FFBDRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000594195161 521460488 /nfs/dbraw/zinc/46/04/88/521460488.db2.gz CNIPVYMHZYGHGK-DOTOQJQBSA-N 1 0 354.410 2.890 20 5 FFBDRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000594199243 521465271 /nfs/dbraw/zinc/46/52/71/521465271.db2.gz IHWVGXQXVXBBLG-DOTOQJQBSA-N 1 0 358.442 2.916 20 5 FFBDRO COCC1([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CCOCC1 ZINC000602668032 521469886 /nfs/dbraw/zinc/46/98/86/521469886.db2.gz AGMGMDAIUVGXNX-UHFFFAOYSA-N 1 0 365.249 2.704 20 5 FFBDRO COc1ccc(C[C@@](C)(O)C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000602667615 521470524 /nfs/dbraw/zinc/47/05/24/521470524.db2.gz QVQNBFVUELIBFT-HXUWFJFHSA-N 1 0 374.437 2.738 20 5 FFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1CN1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000602722109 521496325 /nfs/dbraw/zinc/49/63/25/521496325.db2.gz MQFVZFKJHHXXQZ-HNNXBMFYSA-N 1 0 373.375 2.645 20 5 FFBDRO CCC[NH+]1CCC(NC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)CC1 ZINC000597101553 521505734 /nfs/dbraw/zinc/50/57/34/521505734.db2.gz JEXOQJLTFSSCAD-UHFFFAOYSA-N 1 0 355.826 2.826 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(OCc2ccccc2F)CC1 ZINC000602798455 521541073 /nfs/dbraw/zinc/54/10/73/521541073.db2.gz OCRGCXNLHIHFPT-UHFFFAOYSA-N 1 0 362.405 2.920 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000602834302 521560245 /nfs/dbraw/zinc/56/02/45/521560245.db2.gz YKLOTPVMLQSGHR-KZNAEPCWSA-N 1 0 356.426 2.604 20 5 FFBDRO C[NH+](C)CCC[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CCO1 ZINC000597247832 521594427 /nfs/dbraw/zinc/59/44/27/521594427.db2.gz FKKMHLUGABUJJT-HNNXBMFYSA-N 1 0 373.400 2.739 20 5 FFBDRO C[NH+](C)CCn1cc(Nc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)cn1 ZINC000619527079 521753333 /nfs/dbraw/zinc/75/33/33/521753333.db2.gz CVROEWGOPOSDKR-UHFFFAOYSA-N 1 0 370.388 2.720 20 5 FFBDRO Cc1cc(NCCCN2CC[NH+](Cc3ccccc3)CC2)ncc1[N+](=O)[O-] ZINC000470867459 560992574 /nfs/dbraw/zinc/99/25/74/560992574.db2.gz SGLDOMAASFMSBO-UHFFFAOYSA-N 1 0 369.469 2.918 20 5 FFBDRO C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)[C@H]1c1ccccc1 ZINC000826028544 607967702 /nfs/dbraw/zinc/96/77/02/607967702.db2.gz CBLQFYPAKILVJE-DLBZAZTESA-N 1 0 365.397 2.632 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)cc(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164723934 720367789 /nfs/dbraw/zinc/36/77/89/720367789.db2.gz IDIJMOKSVQGAQY-HUUCEWRRSA-N 1 0 359.817 2.891 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164722048 720394081 /nfs/dbraw/zinc/39/40/81/720394081.db2.gz BTWYRVZYWUBDOB-DLBZAZTESA-N 1 0 353.426 2.855 20 5 FFBDRO CN(CC1CC[NH+](C)CC1)c1ccc(-c2ccc(F)c([N+](=O)[O-])c2)nn1 ZINC001165043688 721938455 /nfs/dbraw/zinc/93/84/55/721938455.db2.gz BETMUGLJZOSYPV-UHFFFAOYSA-N 1 0 359.405 2.969 20 5 FFBDRO C[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1Br)[NH+]1CCCC1 ZINC000159143894 728901637 /nfs/dbraw/zinc/90/16/37/728901637.db2.gz ACXJCFROBNCIKB-SNVBAGLBSA-N 1 0 356.220 2.571 20 5 FFBDRO Cc1c(C(=O)N(C)CC[C@@H]([NH3+])C(C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000162029304 728938339 /nfs/dbraw/zinc/93/83/39/728938339.db2.gz YBJMSHVVDBDVAB-CYBMUJFWSA-N 1 0 352.391 2.565 20 5 FFBDRO Cn1cc([C@@]2(C[NH2+]Cc3cc([N+](=O)[O-])ccc3Cl)CCCO2)cn1 ZINC000898057376 735308212 /nfs/dbraw/zinc/30/82/12/735308212.db2.gz DMWSZYUVKFKFIL-INIZCTEOSA-N 1 0 350.806 2.777 20 5 FFBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000092627252 728469610 /nfs/dbraw/zinc/46/96/10/728469610.db2.gz ICJCTHBHEIUJJC-NSHDSACASA-N 1 0 356.220 2.524 20 5 FFBDRO CCCC[N@H+](C)CCNc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000112333516 728544830 /nfs/dbraw/zinc/54/48/30/728544830.db2.gz ZVEITSPEKKDBNK-UHFFFAOYSA-N 1 0 365.402 2.735 20 5 FFBDRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000112681456 728547235 /nfs/dbraw/zinc/54/72/35/728547235.db2.gz OYBNEORFIQHGOQ-ZDUSSCGKSA-N 1 0 370.837 2.607 20 5 FFBDRO CC(C)CO[C@@H]1CCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000120062217 728604963 /nfs/dbraw/zinc/60/49/63/728604963.db2.gz UOEVZMVLCPGSSC-CYBMUJFWSA-N 1 0 355.822 2.934 20 5 FFBDRO O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000129245858 728710730 /nfs/dbraw/zinc/71/07/30/728710730.db2.gz HPTMRMDYHNYYJT-CYBMUJFWSA-N 1 0 357.332 2.924 20 5 FFBDRO C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C[C@@H]1CCCC[C@@H]1O ZINC000130073170 728714939 /nfs/dbraw/zinc/71/49/39/728714939.db2.gz PSEZAVOMYMOSFM-LRDDRELGSA-N 1 0 353.394 2.545 20 5 FFBDRO C[C@@H](CNC(=O)OC(C)(C)C)[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000171955007 729016146 /nfs/dbraw/zinc/01/61/46/729016146.db2.gz AIUKMNUSBYCFJD-ZDUSSCGKSA-N 1 0 353.419 2.819 20 5 FFBDRO O=[N+]([O-])c1ccc(Cl)c(CN2CC[NH+](CC3CCOCC3)CC2)c1 ZINC000172421980 729025149 /nfs/dbraw/zinc/02/51/49/729025149.db2.gz TVQVJYQNDUPJBS-UHFFFAOYSA-N 1 0 353.850 2.792 20 5 FFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](C[C@H](O)c3ccccc3Cl)C2)nc1 ZINC000245467341 729570438 /nfs/dbraw/zinc/57/04/38/729570438.db2.gz ZKVQGLNERAVNEA-WBMJQRKESA-N 1 0 362.817 2.863 20 5 FFBDRO CCN(C(=O)c1cccc([N+](=O)[O-])c1Br)[C@H]1CC[N@H+](CC)C1 ZINC000857310873 730390837 /nfs/dbraw/zinc/39/08/37/730390837.db2.gz JKBXBYFCOJNYHG-NSHDSACASA-N 1 0 370.247 2.914 20 5 FFBDRO CCCN(C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1)C1CC[NH2+]CC1 ZINC000857763274 730409253 /nfs/dbraw/zinc/40/92/53/730409253.db2.gz UCEXMNARJLXZPM-UHFFFAOYSA-N 1 0 357.357 2.557 20 5 FFBDRO CC[N@H+](CCNC(=O)OC(C)(C)C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000859532425 730457789 /nfs/dbraw/zinc/45/77/89/730457789.db2.gz YMSCLZYSLHSUCZ-UHFFFAOYSA-N 1 0 353.419 2.950 20 5 FFBDRO CCC1([NH+]2CCOCC2)CCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000860028086 730473255 /nfs/dbraw/zinc/47/32/55/730473255.db2.gz LHVHBLAXFPQSBI-UHFFFAOYSA-N 1 0 351.422 2.811 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](C)c1ccns1 ZINC000860054335 730474553 /nfs/dbraw/zinc/47/45/53/730474553.db2.gz JTOISKVDUHIQDM-JTQLQIEISA-N 1 0 350.400 2.739 20 5 FFBDRO C[C@@H](C[N@H+](C)CCOc1cccc([N+](=O)[O-])c1)NC(=O)OC(C)(C)C ZINC000860098183 730476142 /nfs/dbraw/zinc/47/61/42/730476142.db2.gz MCJRLEVQCQEEFE-ZDUSSCGKSA-N 1 0 353.419 2.819 20 5 FFBDRO C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)OCCC[N+](=O)[O-] ZINC000860918548 730559301 /nfs/dbraw/zinc/55/93/01/730559301.db2.gz MDHKALIYAJOUQL-OAHLLOKOSA-N 1 0 350.415 2.763 20 5 FFBDRO C[C@](O)(C1CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1)C(F)(F)F ZINC000767907002 737381333 /nfs/dbraw/zinc/38/13/33/737381333.db2.gz JSQUIOYVCIBMPI-GJZGRUSLSA-N 1 0 362.348 2.654 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCCC2CC[NH+](C(C)C)CC2)n1 ZINC000866086380 731029774 /nfs/dbraw/zinc/02/97/74/731029774.db2.gz XQZAFGGUIXTZDZ-UHFFFAOYSA-N 1 0 350.419 2.699 20 5 FFBDRO CCc1nn(C)c(OC)c1C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866288737 731046569 /nfs/dbraw/zinc/04/65/69/731046569.db2.gz LVVGGMTXGQLHMH-NSHDSACASA-N 1 0 350.394 2.759 20 5 FFBDRO O=[N+]([O-])c1cc(CN2CCC[C@@H]3C[NH2+]CC[C@H]32)ccc1Br ZINC000866717770 731090722 /nfs/dbraw/zinc/09/07/22/731090722.db2.gz OTWLKAQDJPHOOP-TZMCWYRMSA-N 1 0 354.248 2.931 20 5 FFBDRO COCCN(CC1CC[NH+](C)CC1)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000869766599 731437519 /nfs/dbraw/zinc/43/75/19/731437519.db2.gz QTGRXCRINJOCIN-UHFFFAOYSA-N 1 0 369.849 2.679 20 5 FFBDRO CC1(C)CC[NH2+]CCN1C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000872294351 731749490 /nfs/dbraw/zinc/74/94/90/731749490.db2.gz LNLSYCPLGHIXGC-UHFFFAOYSA-N 1 0 360.439 2.932 20 5 FFBDRO O=C(c1csc(C2CC[NH2+]CC2)n1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000876571900 732258371 /nfs/dbraw/zinc/25/83/71/732258371.db2.gz QQXLLANGNLUBNY-UHFFFAOYSA-N 1 0 358.423 2.721 20 5 FFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@@H](O)c3c(F)cccc3Cl)C2)c1 ZINC000877057374 732318806 /nfs/dbraw/zinc/31/88/06/732318806.db2.gz BNMOBEIAMLPPGB-RPFQZYLTSA-N 1 0 354.769 2.611 20 5 FFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CCOc3ncc(Cl)cc3Cl)C2)c1 ZINC000877090469 732322637 /nfs/dbraw/zinc/32/26/37/732322637.db2.gz SZPHFKMBKXHXCV-UHFFFAOYSA-N 1 0 372.212 2.865 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)CCCCCC[NH3+] ZINC000877441015 732362340 /nfs/dbraw/zinc/36/23/40/732362340.db2.gz SYGOWEOLCINFHQ-LBPRGKRZSA-N 1 0 357.838 2.993 20 5 FFBDRO O=C1O[C@H](C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CN1C1CC1 ZINC000877621053 732399461 /nfs/dbraw/zinc/39/94/61/732399461.db2.gz MXZAJVBWVDDZQA-GFCCVEGCSA-N 1 0 359.304 2.686 20 5 FFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@H](OC3CCCC3)C(F)(F)F)C2)c1 ZINC000877623867 732400493 /nfs/dbraw/zinc/40/04/93/732400493.db2.gz CNTXPBYMFQEXPK-MGULZYLOSA-N 1 0 362.352 2.975 20 5 FFBDRO C[N@@H+]1CCN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1C(C)(C)C ZINC000878841803 732603569 /nfs/dbraw/zinc/60/35/69/732603569.db2.gz ZTWAXPJSKFGJQB-HNNXBMFYSA-N 1 0 368.865 2.849 20 5 FFBDRO COc1ccc(NC(=O)NC2CCC(C)([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000879144566 732653831 /nfs/dbraw/zinc/65/38/31/732653831.db2.gz PBGNIRFEQGURNU-UHFFFAOYSA-N 1 0 350.419 2.988 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000879231531 732669560 /nfs/dbraw/zinc/66/95/60/732669560.db2.gz YXVKNQGYZZFOFU-UHFFFAOYSA-N 1 0 350.419 2.988 20 5 FFBDRO CC(C)(O)[C@H]1CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000879963046 732809936 /nfs/dbraw/zinc/80/99/36/732809936.db2.gz DBZCZJQITDSPFC-LBPRGKRZSA-N 1 0 353.394 2.545 20 5 FFBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccc(C(F)(F)F)nc1 ZINC000880099415 732845921 /nfs/dbraw/zinc/84/59/21/732845921.db2.gz OAAJWRZBQIBJTB-SNVBAGLBSA-N 1 0 356.304 2.521 20 5 FFBDRO C[C@@H](C[C@H]1CCC(=O)N1)[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000926849052 738661439 /nfs/dbraw/zinc/66/14/39/738661439.db2.gz GKZAGNMDEWWYGI-JOYOIKCWSA-N 1 0 356.220 2.504 20 5 FFBDRO C[C@H]1C[C@@H](C(=O)NCc2ccc(Br)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000881865146 733123244 /nfs/dbraw/zinc/12/32/44/733123244.db2.gz NOHVPUYGYAGISS-QWRGUYRKSA-N 1 0 370.247 2.704 20 5 FFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1CCC2(CCOCC2)O1 ZINC000927013249 738681619 /nfs/dbraw/zinc/68/16/19/738681619.db2.gz DAADNBCSOIQDDF-CJNGLKHVSA-N 1 0 352.406 2.983 20 5 FFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000927041698 738685235 /nfs/dbraw/zinc/68/52/35/738685235.db2.gz PDIBYASLOHXHSJ-WWTUQBGBSA-N 1 0 352.456 2.614 20 5 FFBDRO O=C(CC[N@@H+]1CCC[C@H](OC(F)F)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000782531108 738731086 /nfs/dbraw/zinc/73/10/86/738731086.db2.gz OEKKESDSTAGOHK-NSHDSACASA-N 1 0 361.320 2.766 20 5 FFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000888288153 734032262 /nfs/dbraw/zinc/03/22/62/734032262.db2.gz CQBGLVFOVSDULT-VXGBXAGGSA-N 1 0 368.821 2.541 20 5 FFBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891668862 734459820 /nfs/dbraw/zinc/45/98/20/734459820.db2.gz QQBQGLYGUHXEEI-LMKPVCQUSA-N 1 0 352.822 2.578 20 5 FFBDRO C[NH+](C)CC(C)(C)CNC(=S)NNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000727076178 734463867 /nfs/dbraw/zinc/46/38/67/734463867.db2.gz BWSCWRCIKIVVSY-UHFFFAOYSA-N 1 0 359.883 2.627 20 5 FFBDRO C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000895267926 734984076 /nfs/dbraw/zinc/98/40/76/734984076.db2.gz JDFVLAYOTNVLAV-LBPRGKRZSA-N 1 0 360.801 2.994 20 5 FFBDRO C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000895278683 734985729 /nfs/dbraw/zinc/98/57/29/734985729.db2.gz AKMNONGJQOWINL-LBPRGKRZSA-N 1 0 360.801 2.994 20 5 FFBDRO CC[C@H](C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C)[NH+](CC)CC ZINC000741032838 735111767 /nfs/dbraw/zinc/11/17/67/735111767.db2.gz NWZRHKWCESIGBG-OAHLLOKOSA-N 1 0 351.403 2.505 20 5 FFBDRO COC(=O)/C=C/c1ccc(NC[C@@]2([NH+](C)C)CCSC2)c([N+](=O)[O-])c1 ZINC000748280623 735632662 /nfs/dbraw/zinc/63/26/62/735632662.db2.gz CLDPJMPGHNVRQI-UABRLCRWSA-N 1 0 365.455 2.630 20 5 FFBDRO CC(C)[C@@H]([NH3+])c1cn(Cc2c(Br)cccc2[N+](=O)[O-])nn1 ZINC000900640965 735672905 /nfs/dbraw/zinc/67/29/05/735672905.db2.gz JIZBXOSLFBAEMB-CYBMUJFWSA-N 1 0 354.208 2.653 20 5 FFBDRO CCC[C@H]([NH3+])c1cn(Cc2c(Br)cccc2[N+](=O)[O-])nn1 ZINC000900641169 735673426 /nfs/dbraw/zinc/67/34/26/735673426.db2.gz MMQSPPKBHSEQKP-NSHDSACASA-N 1 0 354.208 2.797 20 5 FFBDRO CC[N@@H+]1CCC[C@H]1CNC(=S)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000751913260 735933280 /nfs/dbraw/zinc/93/32/80/735933280.db2.gz FRMFMMQBRAICAP-HIFRSBDPSA-N 1 0 350.488 2.913 20 5 FFBDRO COc1cc([C@H](C)[NH2+]C[C@@H]2CC3(CO2)CCOCC3)cc([N+](=O)[O-])c1 ZINC000903212138 736055902 /nfs/dbraw/zinc/05/59/02/736055902.db2.gz KILYREXCCFVDPC-GUYCJALGSA-N 1 0 350.415 2.840 20 5 FFBDRO COc1cc([C@H](C)[NH2+]C[C@H]2CCC3(CCOCC3)O2)cc([N+](=O)[O-])c1 ZINC000903226710 736060098 /nfs/dbraw/zinc/06/00/98/736060098.db2.gz MGOQTDBXWRNICK-XJKSGUPXSA-N 1 0 350.415 2.982 20 5 FFBDRO CO[C@]1(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCSC1 ZINC000903309497 736073595 /nfs/dbraw/zinc/07/35/95/736073595.db2.gz FGXZTZCJFDMFMS-KRWDZBQOSA-N 1 0 351.472 2.675 20 5 FFBDRO C[C@@H](NCc1c(F)cccc1[N+](=O)[O-])c1cccc(NS(C)(=O)=O)c1 ZINC000753910914 736105749 /nfs/dbraw/zinc/10/57/49/736105749.db2.gz MCZAICLHZPCNNG-LLVKDONJSA-N 1 0 367.402 2.956 20 5 FFBDRO CN(Cc1c(Br)cccc1[N+](=O)[O-])[C@@H](C[NH3+])C(F)(F)F ZINC000903769898 736164387 /nfs/dbraw/zinc/16/43/87/736164387.db2.gz RAUWSUKIWHAUJN-JTQLQIEISA-N 1 0 356.142 2.679 20 5 FFBDRO CC1(C)C[C@H](C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C(C)(C)O1 ZINC000905619916 736370449 /nfs/dbraw/zinc/37/04/49/736370449.db2.gz OMELFDPMFDKZFE-CYBMUJFWSA-N 1 0 370.471 2.552 20 5 FFBDRO CS[C@@H]1CN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C[C@@H]1[NH+]1CCCC1 ZINC000758790924 736521268 /nfs/dbraw/zinc/52/12/68/736521268.db2.gz IVVJOPQPNUCKBN-RUZMYDRRSA-N 1 0 361.467 2.646 20 5 FFBDRO CC[N@@H+]1CCCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000910282766 737052280 /nfs/dbraw/zinc/05/22/80/737052280.db2.gz HZMYEFLEHIEHQK-LLVKDONJSA-N 1 0 370.247 2.914 20 5 FFBDRO CC(C)(C)OC(=O)[C@@H]1CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000766950831 737278846 /nfs/dbraw/zinc/27/88/46/737278846.db2.gz RFGKUNGYFOUJEF-ZBFHGGJFSA-N 1 0 350.415 2.682 20 5 FFBDRO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)N1CCC([NH+]2CCC2)CC1 ZINC000912885703 737353426 /nfs/dbraw/zinc/35/34/26/737353426.db2.gz ZTMVUHYNJAAUQV-UHFFFAOYSA-N 1 0 351.834 2.878 20 5 FFBDRO O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912917518 737357039 /nfs/dbraw/zinc/35/70/39/737357039.db2.gz ICCNCAACBGUIOB-AWEZNQCLSA-N 1 0 358.423 2.639 20 5 FFBDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC000913813844 737452309 /nfs/dbraw/zinc/45/23/09/737452309.db2.gz HUFFSBSOGDVGMF-JKSUJKDBSA-N 1 0 351.834 2.876 20 5 FFBDRO Cc1cc(S(=O)(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)cc([N+](=O)[O-])c1F ZINC000771756094 737752312 /nfs/dbraw/zinc/75/23/12/737752312.db2.gz AVLXRJWPRCEYRQ-BETUJISGSA-N 1 0 373.450 2.584 20 5 FFBDRO CS[C@H]1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000772580350 737824783 /nfs/dbraw/zinc/82/47/83/737824783.db2.gz SXSTVAYIBUIIGE-CABCVRRESA-N 1 0 352.416 2.519 20 5 FFBDRO CN(Cc1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000774739904 738020813 /nfs/dbraw/zinc/02/08/13/738020813.db2.gz QHKPJAUJXFQWBB-QGZVFWFLSA-N 1 0 366.893 2.849 20 5 FFBDRO CC[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC000777996395 738340526 /nfs/dbraw/zinc/34/05/26/738340526.db2.gz AFLBGVHMCSIUNG-CYBMUJFWSA-N 1 0 373.450 2.585 20 5 FFBDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000778219469 738364629 /nfs/dbraw/zinc/36/46/29/738364629.db2.gz FPSCXILVSONUEP-LLVKDONJSA-N 1 0 363.443 2.594 20 5 FFBDRO CCC[NH+](CCC)CCCNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000778257019 738367279 /nfs/dbraw/zinc/36/72/79/738367279.db2.gz OREYWKBMWHEYCB-UHFFFAOYSA-N 1 0 365.459 2.841 20 5 FFBDRO CC[NH+](CC)CC1CCN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CC1 ZINC000786777803 739076703 /nfs/dbraw/zinc/07/67/03/739076703.db2.gz WSFXUYIXZBTYMR-UHFFFAOYSA-N 1 0 369.487 2.557 20 5 FFBDRO CC(C)C[NH+]1CCC(NC(=O)CCc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000930905516 739182045 /nfs/dbraw/zinc/18/20/45/739182045.db2.gz VBHZSSNSEBBYKQ-UHFFFAOYSA-N 1 0 351.422 2.903 20 5 FFBDRO COC(=O)N1CCC([C@@H](C)[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000788762442 739281148 /nfs/dbraw/zinc/28/11/48/739281148.db2.gz GZEDOSJOELBKCE-NEPJUHHUSA-N 1 0 350.419 2.695 20 5 FFBDRO C[C@@]1([C@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C2)COC(=O)N1 ZINC000932020608 739374751 /nfs/dbraw/zinc/37/47/51/739374751.db2.gz IJRGEPFFXPYHCJ-LRDDRELGSA-N 1 0 353.806 2.959 20 5 FFBDRO C[C@H](CN1CCOCC1)[N@H+](C)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000789763861 739386021 /nfs/dbraw/zinc/38/60/21/739386021.db2.gz RFHDTOFJYGDUQV-GFCCVEGCSA-N 1 0 372.263 2.510 20 5 FFBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000790588983 739472185 /nfs/dbraw/zinc/47/21/85/739472185.db2.gz AZWHYRJEGFWBAJ-NSHDSACASA-N 1 0 357.813 2.776 20 5 FFBDRO C[NH+](C)C[C@@H]1CCCCN1C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000790808090 739497871 /nfs/dbraw/zinc/49/78/71/739497871.db2.gz QAUZNBOSKBXQKT-LBPRGKRZSA-N 1 0 357.813 2.873 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)C[C@@H]1C ZINC000933371283 739611819 /nfs/dbraw/zinc/61/18/19/739611819.db2.gz SKBDCAAALVHGIP-UWVGGRQHSA-N 1 0 372.828 2.914 20 5 FFBDRO CCOC(=O)C[C@](C)([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(C)C ZINC000792881230 739715041 /nfs/dbraw/zinc/71/50/41/739715041.db2.gz YKMFHQOWSKZMEO-INIZCTEOSA-N 1 0 353.375 2.961 20 5 FFBDRO C[C@H]1CSCCC[N@@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000934301611 739763164 /nfs/dbraw/zinc/76/31/64/739763164.db2.gz LIUNLRRSUXTBRE-LBPRGKRZSA-N 1 0 351.428 2.720 20 5 FFBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC000934576247 739808538 /nfs/dbraw/zinc/80/85/38/739808538.db2.gz MDKZAALLJLVTHY-ABAIWWIYSA-N 1 0 351.834 2.780 20 5 FFBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)C1 ZINC000934951157 739871114 /nfs/dbraw/zinc/87/11/14/739871114.db2.gz NNUXRNIYRCPGHQ-SKDRFNHKSA-N 1 0 370.812 2.526 20 5 FFBDRO C[C@@H]([NH2+]C[C@H](O)CCNC(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000794458970 739894493 /nfs/dbraw/zinc/89/44/93/739894493.db2.gz RMMMCHSYSNAHIB-IUODEOHRSA-N 1 0 353.419 2.521 20 5 FFBDRO CC[N@H+](CC1CCCCC1)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000957713201 740553311 /nfs/dbraw/zinc/55/33/11/740553311.db2.gz RFYPJSZVUQDHDC-QZTJIDSGSA-N 1 0 351.491 2.792 20 5 FFBDRO COCCO[C@H]1CCCN(Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000802652324 740715403 /nfs/dbraw/zinc/71/54/03/740715403.db2.gz DINASIRMXUYQTL-LBPRGKRZSA-N 1 0 373.247 2.985 20 5 FFBDRO CC(C)OCC[NH+]1CCC(Nc2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC1 ZINC000804531102 740881202 /nfs/dbraw/zinc/88/12/02/740881202.db2.gz RHYFGDTYPSLGGD-UHFFFAOYSA-N 1 0 352.391 2.804 20 5 FFBDRO C[C@@H]1CCC[C@@H](C)[NH+]1CC(N)=NOCCOc1ccccc1[N+](=O)[O-] ZINC000809374320 741303028 /nfs/dbraw/zinc/30/30/28/741303028.db2.gz IKMGJQMNKIECMC-ZIAGYGMSSA-N 1 0 350.419 2.735 20 5 FFBDRO COC1CC[NH+](C(C)(C)CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000825764346 743324905 /nfs/dbraw/zinc/32/49/05/743324905.db2.gz JMZYCHNSTDPFGL-UHFFFAOYSA-N 1 0 369.849 2.867 20 5 FFBDRO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000825849465 743333928 /nfs/dbraw/zinc/33/39/28/743333928.db2.gz IEYLWYPVXIEMMI-AWEZNQCLSA-N 1 0 367.833 2.621 20 5 FFBDRO CC[NH+](CC)[C@H](CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)CC(C)C ZINC000825888274 743338148 /nfs/dbraw/zinc/33/81/48/743338148.db2.gz VZUMKAUSKATUMU-IRXDYDNUSA-N 1 0 351.447 2.501 20 5 FFBDRO CCN(CCC[NH+](C)C)C(=O)c1cc(Cl)c([N+](=O)[O-])cc1NC(C)=O ZINC000830790704 745430790 /nfs/dbraw/zinc/43/07/90/745430790.db2.gz AFILVIIJKFMXNC-UHFFFAOYSA-N 1 0 370.837 2.620 20 5 FFBDRO CN(C)CC[N@H+](C)CCCN(C)C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000838909468 746734868 /nfs/dbraw/zinc/73/48/68/746734868.db2.gz IPEBTAATATYNSI-UHFFFAOYSA-N 1 0 371.869 2.595 20 5 FFBDRO O=C(C[N@H+](C[C@@H]1CCOC1)C1CC1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839464145 746832461 /nfs/dbraw/zinc/83/24/61/746832461.db2.gz BQNZZQPVZYWFOI-NSHDSACASA-N 1 0 353.806 2.688 20 5 FFBDRO CO[C@@](C)([C@@H](C)[NH2+]CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C1CC1 ZINC000839638098 746878443 /nfs/dbraw/zinc/87/84/43/746878443.db2.gz HPJZPADSXFCIPF-HWPZZCPQSA-N 1 0 355.822 2.980 20 5 FFBDRO C[C@H]1C[C@H](NC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000841161474 747284374 /nfs/dbraw/zinc/28/43/74/747284374.db2.gz LIAMEWKMJZGCOI-WCBMZHEXSA-N 1 0 357.208 2.619 20 5 FFBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)NCc3cc([N+](=O)[O-])ccc3Cl)C[C@@H]21 ZINC000841854490 747476479 /nfs/dbraw/zinc/47/64/79/747476479.db2.gz AXPXMFBWRDWZGO-VZJVUDMVSA-N 1 0 352.822 2.517 20 5 FFBDRO O=C(CN1CCCC[C@H]1[C@@H]1CC[NH2+]C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000842474510 747612348 /nfs/dbraw/zinc/61/23/48/747612348.db2.gz UMKBJGUQWPCUOE-DOMZBBRYSA-N 1 0 366.849 2.651 20 5 FFBDRO O=C(CN1CCCC[C@H]1[C@H]1CCC[NH2+]1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000842473408 747612478 /nfs/dbraw/zinc/61/24/78/747612478.db2.gz FOBGEXULVFZUSA-HIFRSBDPSA-N 1 0 366.849 2.793 20 5 FFBDRO CC(C)[NH2+]CCCNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000843336794 747813935 /nfs/dbraw/zinc/81/39/35/747813935.db2.gz MBOKQXSLINSWNH-UHFFFAOYSA-N 1 0 362.199 2.614 20 5 FFBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CCC([NH2+]CC2CC2)CC1 ZINC000843350334 747815034 /nfs/dbraw/zinc/81/50/34/747815034.db2.gz MVELZFWTFIWDGM-UHFFFAOYSA-N 1 0 369.824 2.920 20 5 FFBDRO O=C(CN1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000843362823 747817519 /nfs/dbraw/zinc/81/75/19/747817519.db2.gz IBNMNZHICOUHID-OCCSQVGLSA-N 1 0 366.849 2.651 20 5 FFBDRO CC[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CC[C@H]1[NH3+] ZINC000843470824 747841357 /nfs/dbraw/zinc/84/13/57/747841357.db2.gz DTISAPUEDAFLKO-LDYMZIIASA-N 1 0 374.210 2.696 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CCC[C@H]1CC1(Cl)Cl ZINC000844276288 747995738 /nfs/dbraw/zinc/99/57/38/747995738.db2.gz DXQZZLSVBHQAIY-NWDGAFQWSA-N 1 0 363.241 2.898 20 5 FFBDRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000846699054 748525758 /nfs/dbraw/zinc/52/57/58/748525758.db2.gz KNKIYRIWPPAYQZ-UHOFOFEASA-N 1 0 367.833 2.749 20 5 FFBDRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)C2)C1 ZINC000846719370 748529291 /nfs/dbraw/zinc/52/92/91/748529291.db2.gz WQBMTHDTTVGMNF-IOASZLSFSA-N 1 0 367.833 2.607 20 5 FFBDRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)c3cc([N+](=O)[O-])ccc3Cl)C2)C1 ZINC000846717435 748529298 /nfs/dbraw/zinc/52/92/98/748529298.db2.gz FQJDKHNNUJVNDR-HSMVNMDESA-N 1 0 367.833 2.607 20 5 FFBDRO CC(C)(C)OC(=O)C1(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000853127204 750013143 /nfs/dbraw/zinc/01/31/43/750013143.db2.gz VASDJSXHEFGPFT-HNNXBMFYSA-N 1 0 350.415 2.730 20 5 FFBDRO CC(C)(C)OC(=O)NCCC(N)=NOCc1ccc(F)cc1[N+](=O)[O-] ZINC000853697434 750138083 /nfs/dbraw/zinc/13/80/83/750138083.db2.gz HOIDVUUECVYRMO-UHFFFAOYSA-N 1 0 356.354 2.647 20 5 FFBDRO C[C@H]1COCC[N@@H+]1C1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000854568496 750330761 /nfs/dbraw/zinc/33/07/61/750330761.db2.gz BGUDSTHVCZQWIS-LBPRGKRZSA-N 1 0 367.833 2.574 20 5 FFBDRO O=[N+]([O-])c1ccc(NC[C@H](O)C[NH+]2CCCCC2)nc1-c1ccccc1 ZINC000134632366 959936159 /nfs/dbraw/zinc/93/61/59/959936159.db2.gz FYOVIZMMEINARZ-INIZCTEOSA-N 1 0 356.426 2.916 20 5 FFBDRO CC[C@@H]1CO[C@@](C)(CCC(C)C)N1c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001167133099 960223504 /nfs/dbraw/zinc/22/35/04/960223504.db2.gz SVZJEQFGSZCHNX-KDOFPFPSSA-N 1 0 363.462 2.839 20 5 FFBDRO C[C@@H]1C[C@@H](NC(=O)Cc2ccccc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000134940073 960547870 /nfs/dbraw/zinc/54/78/70/960547870.db2.gz FTDYDGGAQKIUSB-CRAIPNDOSA-N 1 0 353.422 2.917 20 5 FFBDRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000683548137 960955190 /nfs/dbraw/zinc/95/51/90/960955190.db2.gz QGXFGXVOVWNSLE-OAHLLOKOSA-N 1 0 361.445 2.895 20 5 FFBDRO O=C(OCCCc1ccncc1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000049959613 962329089 /nfs/dbraw/zinc/32/90/89/962329089.db2.gz SAERKGCXCAWJCC-UHFFFAOYSA-N 1 0 352.350 2.965 20 5 FFBDRO CCOC(=O)c1c[nH]nc1[C@@H]1CCN(Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001174975001 1013344893 /nfs/dbraw/zinc/34/48/93/1013344893.db2.gz IWNMSTUQBZPAKH-GFCCVEGCSA-N 1 0 362.361 2.623 20 5 FFBDRO O=[N+]([O-])c1cnc2ccc(F)cc2c1N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000891741169 964996963 /nfs/dbraw/zinc/99/69/63/964996963.db2.gz LRECGCLYNBONSX-OAHLLOKOSA-N 1 0 374.416 2.973 20 5 FFBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000843758280 965660794 /nfs/dbraw/zinc/66/07/94/965660794.db2.gz NFBVGNAGDNKADF-OAHLLOKOSA-N 1 0 359.401 2.945 20 5 FFBDRO C[C@@H]([NH2+]CCC(=O)NCC(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC001176029290 1013614148 /nfs/dbraw/zinc/61/41/48/1013614148.db2.gz SRBGZHSFTBCUCG-CQSZACIVSA-N 1 0 355.394 2.635 20 5 FFBDRO C/C(=C\C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000785109947 966003832 /nfs/dbraw/zinc/00/38/32/966003832.db2.gz QRQRLSJDFBWYFM-YIMOIBLRSA-N 1 0 361.442 2.614 20 5 FFBDRO NC(=O)[C@@]1(c2ccccc2)CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000895005296 967151196 /nfs/dbraw/zinc/15/11/96/967151196.db2.gz WYXWEVQTOQVBML-IEJURRBGSA-N 1 0 351.406 2.737 20 5 FFBDRO COC(=O)C[C@@H]([NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C)C(C)(C)C ZINC001176463722 1013708711 /nfs/dbraw/zinc/70/87/11/1013708711.db2.gz PIFSCMNCTRGFKB-OAHLLOKOSA-N 1 0 365.430 2.799 20 5 FFBDRO CCCCNC(=O)[C@@H]1CCC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000050901704 968104516 /nfs/dbraw/zinc/10/45/16/968104516.db2.gz HIGFVDBABMHHRG-CQSZACIVSA-N 1 0 359.430 2.530 20 5 FFBDRO Cc1c(C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000177606823 969284046 /nfs/dbraw/zinc/28/40/46/969284046.db2.gz PMCATXXIQHOTHT-QWHCGFSZSA-N 1 0 364.402 2.722 20 5 FFBDRO O=[N+]([O-])c1cnc2ccc(F)cc2c1N1CC[NH+](CC2CCOCC2)CC1 ZINC000892602858 969567181 /nfs/dbraw/zinc/56/71/81/969567181.db2.gz GLGRPGGQQPGZGN-UHFFFAOYSA-N 1 0 374.416 2.831 20 5 FFBDRO C[C@@H]1CCN(C(=O)c2cc(F)cc3c2[nH]c2ccc(F)cc2c3=O)C[C@@H]1[NH3+] ZINC000658970047 969587368 /nfs/dbraw/zinc/58/73/68/969587368.db2.gz JWLBNAUFHWBOSU-HWPZZCPQSA-N 1 0 371.387 2.769 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)c2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])C[C@@H]1C ZINC000892642113 969676372 /nfs/dbraw/zinc/67/63/72/969676372.db2.gz MCCIZUKRRRHABF-KBPBESRZSA-N 1 0 358.442 2.756 20 5 FFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000875745069 1014070832 /nfs/dbraw/zinc/07/08/32/1014070832.db2.gz HRXTUZHZPANRSR-IAGOWNOFSA-N 1 0 371.441 2.565 20 5 FFBDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000825827644 1014092459 /nfs/dbraw/zinc/09/24/59/1014092459.db2.gz WZOYLLWBUYIQMR-RHSMWYFYSA-N 1 0 363.458 2.645 20 5 FFBDRO CCOC(=O)Cc1ccc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c([N+](=O)[O-])c1 ZINC000825842159 1014110677 /nfs/dbraw/zinc/11/06/77/1014110677.db2.gz ZJDYMPHCSFILGF-JKSUJKDBSA-N 1 0 361.442 2.621 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N2CCN(c3cc[nH+]cc3)[C@H](C)C2)c1F ZINC000893447990 974074998 /nfs/dbraw/zinc/07/49/98/974074998.db2.gz PDZIJUWHBDJCNL-CYBMUJFWSA-N 1 0 358.373 2.788 20 5 FFBDRO C[C@H]1CN(C(=O)c2cc(F)c(F)cc2[N+](=O)[O-])CCN1c1cc[nH+]cc1 ZINC000893448050 974075296 /nfs/dbraw/zinc/07/52/96/974075296.db2.gz QCEPOWGFGHHAIJ-NSHDSACASA-N 1 0 362.336 2.619 20 5 FFBDRO C/C(=C\C(=O)N1CCC(C[NH+]2CCOCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000785297059 974785152 /nfs/dbraw/zinc/78/51/52/974785152.db2.gz OQPREZQHKHMFFT-JQIJEIRASA-N 1 0 373.453 2.569 20 5 FFBDRO CC(C)c1ccc([C@H]([NH3+])CNC(=O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000236765519 975004254 /nfs/dbraw/zinc/00/42/54/975004254.db2.gz ZQORGYKJKHZKEX-MRXNPFEDSA-N 1 0 357.410 2.913 20 5 FFBDRO Cn1ccnc1[C@@H](N[C@@H]1Cc2ccccc2[C@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000898392893 976414976 /nfs/dbraw/zinc/41/49/76/976414976.db2.gz XHUBFYAHNUIJJX-CEXWTWQISA-N 1 0 364.405 2.666 20 5 FFBDRO O=[N+]([O-])c1cccc([C@@H](O)CN2CCC[N@H+](Cc3ccccc3)CC2)c1 ZINC000178570173 977361248 /nfs/dbraw/zinc/36/12/48/977361248.db2.gz UTQRBYXHNWWZMI-FQEVSTJZSA-N 1 0 355.438 2.836 20 5 FFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]Cc3ccc(OCC(F)(F)F)nc3)C2)c1 ZINC000876931594 1014423762 /nfs/dbraw/zinc/42/37/62/1014423762.db2.gz QFEDQSUBKUQKTB-UHFFFAOYSA-N 1 0 371.319 2.621 20 5 FFBDRO CC(C)(C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)c1ccc2c(c1)OCO2 ZINC000876986611 1014441393 /nfs/dbraw/zinc/44/13/93/1014441393.db2.gz HMJDDEAKDIKTMM-UHFFFAOYSA-N 1 0 358.398 2.791 20 5 FFBDRO [NH3+]C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)C[C@H]1C(F)(F)F ZINC000877356530 1014561465 /nfs/dbraw/zinc/56/14/65/1014561465.db2.gz SFSMYYKKRKPVMR-IAQYHMDHSA-N 1 0 367.327 2.957 20 5 FFBDRO NC(=O)c1ccccc1N1CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000783627701 979348930 /nfs/dbraw/zinc/34/89/30/979348930.db2.gz HLYOKGTUKKFZOG-CYBMUJFWSA-N 1 0 374.828 2.716 20 5 FFBDRO C[C@@](O)(CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccccc1 ZINC000877440932 1014583012 /nfs/dbraw/zinc/58/30/12/1014583012.db2.gz QJCBBRBUGSQEOW-HXUWFJFHSA-N 1 0 370.453 2.846 20 5 FFBDRO Cc1cc(C)cc([C@@H](O)C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1 ZINC000877503114 1014604770 /nfs/dbraw/zinc/60/47/70/1014604770.db2.gz BIGFDMYVDYEJOW-IBGZPJMESA-N 1 0 370.453 2.899 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CC[C@H]1OCCc2ccccc21 ZINC000905625010 980475197 /nfs/dbraw/zinc/47/51/97/980475197.db2.gz ONVOZTKDSMHKIE-QFBILLFUSA-N 1 0 372.421 2.628 20 5 FFBDRO Cc1ccc(CN2CC[C@H]([NH2+]C3CC(n4cc([N+](=O)[O-])cn4)C3)C2)cc1 ZINC000877701884 1014691065 /nfs/dbraw/zinc/69/10/65/1014691065.db2.gz CDJFOCHPQODZDI-AOCRQIFASA-N 1 0 355.442 2.667 20 5 FFBDRO COc1cc(CN2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000877743308 1014705230 /nfs/dbraw/zinc/70/52/30/1014705230.db2.gz JNIOJSKHEXBNCV-WCQYABFASA-N 1 0 371.384 2.731 20 5 FFBDRO O=C1NCCC12CC[NH+](Cc1ccc(-c3cccc([N+](=O)[O-])c3)o1)CC2 ZINC000877783061 1014725689 /nfs/dbraw/zinc/72/56/89/1014725689.db2.gz BFECFVIPRKAQLX-UHFFFAOYSA-N 1 0 355.394 2.957 20 5 FFBDRO COC(=O)CC[C@@H]1CCC[N@H+](Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC000877818575 1014741443 /nfs/dbraw/zinc/74/14/43/1014741443.db2.gz KVKLQWVJWMHESA-ZDUSSCGKSA-N 1 0 364.398 2.547 20 5 FFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@](C)(O)c1ccccc1 ZINC000169142907 981658330 /nfs/dbraw/zinc/65/83/30/981658330.db2.gz ADWLLOUTXPJERB-KUHUBIRLSA-N 1 0 357.410 2.809 20 5 FFBDRO CN(CCC[NH2+]Cc1c(Cl)cccc1Cl)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001483464613 982269790 /nfs/dbraw/zinc/26/97/90/982269790.db2.gz ODLZYWLHMZOZNW-QMTHXVAHSA-N 1 0 360.241 2.597 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)c1C ZINC000897660813 982458986 /nfs/dbraw/zinc/45/89/86/982458986.db2.gz OFRUKMMDHAZWKF-INIZCTEOSA-N 1 0 361.442 2.539 20 5 FFBDRO COC(=O)[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(OCC[NH+](C)C)c2)C1(C)C ZINC001168336170 982974283 /nfs/dbraw/zinc/97/42/83/982974283.db2.gz CIVANFKFLFOSBG-BBRMVZONSA-N 1 0 365.430 2.535 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccco1 ZINC000878178680 1014902377 /nfs/dbraw/zinc/90/23/77/1014902377.db2.gz OMRIJYRDNNOXCE-QGZVFWFLSA-N 1 0 370.409 2.929 20 5 FFBDRO C[C@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000912814267 984126457 /nfs/dbraw/zinc/12/64/57/984126457.db2.gz UURMYGPZWQICSI-WBMJQRKESA-N 1 0 359.430 2.664 20 5 FFBDRO CCO[C@H]1C[C@H]([N@H+](C)Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1(C)C ZINC000156448397 984333579 /nfs/dbraw/zinc/33/35/79/984333579.db2.gz PGTGQOLTQUKYKZ-HOTGVXAUSA-N 1 0 359.430 2.946 20 5 FFBDRO Cc1nn(C[N@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000765084583 984957042 /nfs/dbraw/zinc/95/70/42/984957042.db2.gz WEDJSFZCPNKNSV-ACJLOTCBSA-N 1 0 354.414 2.990 20 5 FFBDRO COC(=O)[C@H](C)Oc1ccccc1C[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000921610982 985425776 /nfs/dbraw/zinc/42/57/76/985425776.db2.gz CWBBPURNXHBHKI-ZDUSSCGKSA-N 1 0 374.393 2.834 20 5 FFBDRO C[C@H]1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000173508341 985854324 /nfs/dbraw/zinc/85/43/24/985854324.db2.gz QMFHOEOBXJYGCZ-HNNXBMFYSA-N 1 0 368.437 2.914 20 5 FFBDRO CC[N@@H+](C[C@H](O)c1ccc(C)cc1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000174281038 986175993 /nfs/dbraw/zinc/17/59/93/986175993.db2.gz YGYMKAHTQQLIGX-ICSRJNTNSA-N 1 0 374.437 2.698 20 5 FFBDRO COc1cccc([C@@H](CNc2nc3ccccn3c2[N+](=O)[O-])[NH+](C)C)c1 ZINC000029848063 986461098 /nfs/dbraw/zinc/46/10/98/986461098.db2.gz QSWYFTZGRYFWFB-OAHLLOKOSA-N 1 0 355.398 2.966 20 5 FFBDRO CCOC(=O)Cc1ccc(N2C[C@H]([NH+]3CCCC3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000826076049 1015237056 /nfs/dbraw/zinc/23/70/56/1015237056.db2.gz LPEVZAKYDGFQCD-GDBMZVCRSA-N 1 0 361.442 2.763 20 5 FFBDRO COc1ccc(CC(=O)OC[C@@H]2CCC[N@@H+]2Cc2ccco2)cc1[N+](=O)[O-] ZINC000765966477 987488258 /nfs/dbraw/zinc/48/82/58/987488258.db2.gz GAKPPYGVROJQNV-HNNXBMFYSA-N 1 0 374.393 2.947 20 5 FFBDRO C[C@@H]1CCC[C@@H]([N@H+](C)CN2C(=O)N[C@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000914784534 987906426 /nfs/dbraw/zinc/90/64/26/987906426.db2.gz DNXIKTDHBWYSJQ-VVFCZOMOSA-N 1 0 374.441 2.830 20 5 FFBDRO CN(c1nc2ccccn2c1[N+](=O)[O-])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000761909986 987978064 /nfs/dbraw/zinc/97/80/64/987978064.db2.gz AXLAPQRWDWVFNP-INIZCTEOSA-N 1 0 351.410 2.953 20 5 FFBDRO COc1ccc(-c2ccc(C[NH2+]CC[C@H]3CC(=O)N(C)C3)o2)c([N+](=O)[O-])c1 ZINC000922488428 988634667 /nfs/dbraw/zinc/63/46/67/988634667.db2.gz JXZZYTZHVGJGFS-ZDUSSCGKSA-N 1 0 373.409 2.821 20 5 FFBDRO CN(c1ccccc1)c1ccc(C[NH2+]CC[C@H]2CNC(=O)C2)cc1[N+](=O)[O-] ZINC000922785090 988903092 /nfs/dbraw/zinc/90/30/92/988903092.db2.gz QHQVFRQNMQXUFX-MRXNPFEDSA-N 1 0 368.437 2.979 20 5 FFBDRO Nc1ccc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000031566120 989475026 /nfs/dbraw/zinc/47/50/26/989475026.db2.gz NRAFPHGYJVZKDN-MRXNPFEDSA-N 1 0 354.410 2.571 20 5 FFBDRO O=C(CC[N@H+]1CC[C@H](O)[C@@H]2CCCC[C@H]21)Nc1cc([N+](=O)[O-])ccc1F ZINC000879419997 1015523203 /nfs/dbraw/zinc/52/32/03/1015523203.db2.gz RGIZYICYQZNXON-XYPHTWIQSA-N 1 0 365.405 2.688 20 5 FFBDRO NC(=O)COc1ccc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000917176193 990167960 /nfs/dbraw/zinc/16/79/60/990167960.db2.gz XJHFRYJDEOEJAM-UHFFFAOYSA-N 1 0 355.394 2.624 20 5 FFBDRO COc1ccccc1[C@@H](O)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000130605847 990466308 /nfs/dbraw/zinc/46/63/08/990466308.db2.gz AXUAZYXSWHHHCY-IBGZPJMESA-N 1 0 371.437 2.895 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCN(CC[NH+]3CCCC3)CC2)c(C(F)(F)F)c1 ZINC000919962402 990770514 /nfs/dbraw/zinc/77/05/14/990770514.db2.gz OGIANSOYFWHQFO-UHFFFAOYSA-N 1 0 372.391 2.831 20 5 FFBDRO C[C@H]1CCC[C@](CNC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)([NH+](C)C)C1 ZINC000920461007 990853736 /nfs/dbraw/zinc/85/37/36/990853736.db2.gz RRLGQNYTXWNQME-LIRRHRJNSA-N 1 0 373.457 2.571 20 5 FFBDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000923310201 991062100 /nfs/dbraw/zinc/06/21/00/991062100.db2.gz YWHCGTDMLGYOBR-DOTOQJQBSA-N 1 0 372.469 2.894 20 5 FFBDRO COc1cc(CN2CC[C@]3(C2)CCCC[NH2+]3)c([N+](=O)[O-])cc1OC(F)F ZINC000923539430 991225336 /nfs/dbraw/zinc/22/53/36/991225336.db2.gz OVDQFZBCIBYSTJ-KRWDZBQOSA-N 1 0 371.384 2.923 20 5 FFBDRO C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000880080283 1015750050 /nfs/dbraw/zinc/75/00/50/1015750050.db2.gz RCHPXTBTEZTZPP-ROUUACIJSA-N 1 0 371.393 2.585 20 5 FFBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880263006 1015793757 /nfs/dbraw/zinc/79/37/57/1015793757.db2.gz VPQWCBBZLLPXQT-LSDHHAIUSA-N 1 0 369.425 2.528 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3COc4ccccc4[C@H]3O)CC2)cc1 ZINC000808731187 994244045 /nfs/dbraw/zinc/24/40/45/994244045.db2.gz SDQAIHIOEQVWAT-UYAOXDASSA-N 1 0 369.421 2.648 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CC[C@](CO)(Cc3ccc(F)cc3)C2)cc1 ZINC000808795330 994270564 /nfs/dbraw/zinc/27/05/64/994270564.db2.gz TYRQLRJHOUPSBY-UXHICEINSA-N 1 0 374.412 2.694 20 5 FFBDRO COc1cc2c(c(CN(CC[NH3+])c3ccc([N+](=O)[O-])cc3)c1)O[C@@H](C)C2 ZINC000809736341 994594583 /nfs/dbraw/zinc/59/45/83/994594583.db2.gz PRCSPEYRHQPGBJ-ZDUSSCGKSA-N 1 0 357.410 2.892 20 5 FFBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]Cc3cnc(C4OCCO4)s3)c2c1 ZINC000809792098 994612871 /nfs/dbraw/zinc/61/28/71/994612871.db2.gz HZVHADJDNVTZOL-UHFFFAOYSA-N 1 0 374.422 2.910 20 5 FFBDRO O=C(O[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000810852789 994958991 /nfs/dbraw/zinc/95/89/91/994958991.db2.gz RBAKROBBZNQHAC-DLBZAZTESA-N 1 0 356.382 2.564 20 5 FFBDRO CCOc1cc(NC(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)ccc1[N+](=O)[O-] ZINC000888830803 1015951955 /nfs/dbraw/zinc/95/19/55/1015951955.db2.gz CYQSPNOFADBMTO-GOSISDBHSA-N 1 0 362.430 2.943 20 5 FFBDRO COC(=O)c1ncc([N+](=O)[O-])cc1-n1c2ccccc2c2c1C[C@H]([NH3+])CC2 ZINC001171099170 997631965 /nfs/dbraw/zinc/63/19/65/997631965.db2.gz KZHIFQVRRLPNSR-LLVKDONJSA-N 1 0 366.377 2.536 20 5 FFBDRO O=C(NC1(C2CC[NH+](CCC3=CCCCC3)CC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001000155128 1016250006 /nfs/dbraw/zinc/25/00/06/1016250006.db2.gz RVSDIJPAEYTNMW-QZTJIDSGSA-N 1 0 361.486 2.903 20 5 FFBDRO C[C@H](CC[NH+](C)C)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 ZINC000733164787 998903964 /nfs/dbraw/zinc/90/39/64/998903964.db2.gz CELXRZOMWFMFLH-OAHLLOKOSA-N 1 0 362.474 2.901 20 5 FFBDRO O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1CN1CCC[C@]2(CC=CCC2)C1 ZINC000733992277 999168251 /nfs/dbraw/zinc/16/82/51/999168251.db2.gz NWQUSQSKEODPDF-LJQANCHMSA-N 1 0 355.394 2.971 20 5 FFBDRO O=[N+]([O-])c1ccc(F)cc1C[NH2+][C@@]1(CO)CCCN(Cc2ccccc2)C1 ZINC000734000519 999169377 /nfs/dbraw/zinc/16/93/77/999169377.db2.gz QRKYNJITGXCYHE-FQEVSTJZSA-N 1 0 373.428 2.851 20 5 FFBDRO C[C@H]1CCCCC[N@@H+]1CN1C(=O)N[C@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000738227504 999623368 /nfs/dbraw/zinc/62/33/68/999623368.db2.gz WJRVSIPOHKONQV-SCLBCKFNSA-N 1 0 360.414 2.584 20 5 FFBDRO O=[N+]([O-])c1cc(C(F)(F)NC[C@]2(F)CCCC[NH2+]C2)cnc1Cl ZINC001155116321 999708118 /nfs/dbraw/zinc/70/81/18/999708118.db2.gz XVIHHVXQNGODCL-LBPRGKRZSA-N 1 0 352.744 2.764 20 5 FFBDRO O=[N+]([O-])c1cn(CN2CCC[C@@H]2C[NH+]2CCCCC2)nc1-c1ccncc1 ZINC000742149865 999761787 /nfs/dbraw/zinc/76/17/87/999761787.db2.gz NXJODEJCTLWFFK-QGZVFWFLSA-N 1 0 370.457 2.761 20 5 FFBDRO O=[N+]([O-])c1cn(CN2CCC[C@H]([NH+]3CCCC3)CC2)nc1-c1ccncc1 ZINC000742152800 999761924 /nfs/dbraw/zinc/76/19/24/999761924.db2.gz IMZILJRDHHRMNW-KRWDZBQOSA-N 1 0 370.457 2.761 20 5 FFBDRO Cc1ccc(N2CCC[C@@H]([NH2+]C[C@H](O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000743463890 999820250 /nfs/dbraw/zinc/82/02/50/999820250.db2.gz YUGJAAOREQJHGE-MOPGFXCFSA-N 1 0 369.421 2.722 20 5 FFBDRO O=C(C[N@@H+]1CCC[C@H]2CCC[C@@H]21)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000744407308 999855811 /nfs/dbraw/zinc/85/58/11/999855811.db2.gz SOYKJRGVVYGDIX-APWZRJJASA-N 1 0 372.469 2.508 20 5 FFBDRO C[C@@H]1CC[N@H+](CCNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C1 ZINC000744798054 999876152 /nfs/dbraw/zinc/87/61/52/999876152.db2.gz FPTKPZOMHQICHL-OAHLLOKOSA-N 1 0 360.458 2.657 20 5 FFBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C2CCN(c3ncnc4ccccc43)CC2)C1 ZINC001168977068 1000012113 /nfs/dbraw/zinc/01/21/13/1000012113.db2.gz HNYVAINZSYDRKN-ZBFHGGJFSA-N 1 0 355.442 2.634 20 5 FFBDRO CC(C)(C)OC(=O)NC1CC2(C1)CC([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001168968437 1000013266 /nfs/dbraw/zinc/01/32/66/1000013266.db2.gz ZCCCIPGUGWBSPK-ACXWVAMESA-N 1 0 353.463 2.857 20 5 FFBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2cccc(I)c2)C1 ZINC001168969341 1000013522 /nfs/dbraw/zinc/01/35/22/1000013522.db2.gz DCRYTNFJFANQAP-WCQYABFASA-N 1 0 360.195 2.826 20 5 FFBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H](CCO)c2cccc(Br)c2)C1 ZINC001168993632 1000014006 /nfs/dbraw/zinc/01/40/06/1000014006.db2.gz NZJYBCXPQUXCHL-BYCMXARLSA-N 1 0 357.248 2.908 20 5 FFBDRO CC(C)(C)OC(=O)N1CCCC2(C[NH+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)C1 ZINC001169011057 1000015427 /nfs/dbraw/zinc/01/54/27/1000015427.db2.gz HWCNGWDTIIHHSF-HUUCEWRRSA-N 1 0 353.463 2.765 20 5 FFBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C2CCN(c3cnc4ccccc4n3)CC2)C1 ZINC001168988189 1000015908 /nfs/dbraw/zinc/01/59/08/1000015908.db2.gz OTZXYPXANCMFHP-ZBFHGGJFSA-N 1 0 355.442 2.634 20 5 FFBDRO O=C1C[C@]2(CC[N@@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)CN1c1ccc(F)cc1 ZINC001169021546 1000017630 /nfs/dbraw/zinc/01/76/30/1000017630.db2.gz OWOZMSOXPPDABE-LJHODMEESA-N 1 0 361.417 2.700 20 5 FFBDRO CCN1CC[C@@]2(C[N@@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@@H]2c2ccccc2)C1=O ZINC001169026672 1000018280 /nfs/dbraw/zinc/01/82/80/1000018280.db2.gz YNGVVWVEGYYIJR-VELGLUOQSA-N 1 0 371.481 2.770 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])cc(N[C@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)n1 ZINC001169143241 1000027311 /nfs/dbraw/zinc/02/73/11/1000027311.db2.gz PAXOPQZDFMPRJL-APPDUMDISA-N 1 0 350.419 2.732 20 5 FFBDRO Cc1cccc(CN(CC[NH+](C)C)C(=O)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000103114263 1000027275 /nfs/dbraw/zinc/02/72/75/1000027275.db2.gz LBIZJNWQYZPPKZ-UHFFFAOYSA-N 1 0 356.426 2.689 20 5 FFBDRO COc1ccc2c(c1)c(CC[NH3+])c(C)n2-c1ccc(OC)c([N+](=O)[O-])n1 ZINC001169175001 1000030638 /nfs/dbraw/zinc/03/06/38/1000030638.db2.gz HJPPJOKDPVKGCO-UHFFFAOYSA-N 1 0 356.382 2.761 20 5 FFBDRO COc1ccc2c(c1)c(CC[NH3+])c(C)n2-c1nc([N+](=O)[O-])ccc1OC ZINC001169174966 1000030734 /nfs/dbraw/zinc/03/07/34/1000030734.db2.gz ZVZLDVKMQJQSQI-UHFFFAOYSA-N 1 0 356.382 2.761 20 5 FFBDRO COc1c([N+](=O)[O-])cc(Cl)c(C)c1NCc1ncn2c1C[NH2+]CCC2 ZINC001169243765 1000034495 /nfs/dbraw/zinc/03/44/95/1000034495.db2.gz RZWQCBFGPGANNA-UHFFFAOYSA-N 1 0 365.821 2.867 20 5 FFBDRO O=C(Nc1cccnc1NCC[C@H]1CCC[NH2+]1)c1ccccc1[N+](=O)[O-] ZINC001169558412 1000058649 /nfs/dbraw/zinc/05/86/49/1000058649.db2.gz BELQENLNDZHJSY-CYBMUJFWSA-N 1 0 355.398 2.796 20 5 FFBDRO O=C(NCC1=CC[N@H+](Cc2ccc3ccccc3c2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001000674227 1016423178 /nfs/dbraw/zinc/42/31/78/1016423178.db2.gz MUERGPMYARXQCY-WOJBJXKFSA-N 1 0 365.433 2.753 20 5 FFBDRO CC[C@@H]([NH2+]CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[C@H]1CC1(C)C ZINC001171285910 1000761335 /nfs/dbraw/zinc/76/13/35/1000761335.db2.gz FXMUBBFKMWIOJB-QZTJIDSGSA-N 1 0 374.485 2.658 20 5 FFBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000786821107 1001633078 /nfs/dbraw/zinc/63/30/78/1001633078.db2.gz YIIUXHYSDUTOCI-ZFWWWQNUSA-N 1 0 354.410 2.742 20 5 FFBDRO CC(C)(C)OC(=O)NC(C)(C)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000787288409 1001680231 /nfs/dbraw/zinc/68/02/31/1001680231.db2.gz KYRAKSFXRJNEOP-UHFFFAOYSA-N 1 0 367.450 2.732 20 5 FFBDRO COc1cc(C(=O)OCCC[NH+]2CCCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000787982147 1001744824 /nfs/dbraw/zinc/74/48/24/1001744824.db2.gz ROAKGHDCYCZCOR-UHFFFAOYSA-N 1 0 374.340 2.848 20 5 FFBDRO COc1ccc([C@H](O)C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000788431013 1001798863 /nfs/dbraw/zinc/79/88/63/1001798863.db2.gz RAUJBHSCUUSQRL-IXDOHACOSA-N 1 0 360.414 2.607 20 5 FFBDRO Cc1nccn1-c1ccc(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)cn1 ZINC000788556990 1001819676 /nfs/dbraw/zinc/81/96/76/1001819676.db2.gz IXXLERLQKKICEG-GFCCVEGCSA-N 1 0 352.398 2.917 20 5 FFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCN1C[C@@H]2CCCCN2C1=O ZINC001182977304 1002124638 /nfs/dbraw/zinc/12/46/38/1002124638.db2.gz DMEYMVGTJQPKNE-OTMARIDSSA-N 1 0 358.442 2.878 20 5 FFBDRO O=C(C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)Nc1cccc2ccccc21 ZINC001183597482 1002325012 /nfs/dbraw/zinc/32/50/12/1002325012.db2.gz OSUVCACBCWGYSU-UHFFFAOYSA-N 1 0 365.393 2.876 20 5 FFBDRO C[C@H](CNc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC001184839252 1002734849 /nfs/dbraw/zinc/73/48/49/1002734849.db2.gz FOODNWFTRLULNS-ZIAGYGMSSA-N 1 0 358.442 2.979 20 5 FFBDRO Cc1cccc(N(C(N)=[NH2+])c2ccc(N3CCOCC3)cc2)c1[N+](=O)[O-] ZINC001170165287 1002984102 /nfs/dbraw/zinc/98/41/02/1002984102.db2.gz AOAWEENGLGVHIZ-UHFFFAOYSA-N 1 0 355.398 2.771 20 5 FFBDRO COc1ccc([C@@H](CO)[NH2+][C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC001170304738 1003092638 /nfs/dbraw/zinc/09/26/38/1003092638.db2.gz GJWVOEWLESVBGQ-SCLBCKFNSA-N 1 0 360.410 2.866 20 5 FFBDRO COc1ccc(C[C@@H](C)[NH2+]CCNC(=O)Nc2ccccc2)c([N+](=O)[O-])c1 ZINC001170305522 1003094019 /nfs/dbraw/zinc/09/40/19/1003094019.db2.gz MIYGICVUSQPQHJ-CQSZACIVSA-N 1 0 372.425 2.946 20 5 FFBDRO COc1ccc(C[C@H](C)[NH2+]C[C@@H]2C(=O)Nc3ccccc32)c([N+](=O)[O-])c1 ZINC001170326338 1003113774 /nfs/dbraw/zinc/11/37/74/1003113774.db2.gz HMHGVHAUYNFEOW-LRDDRELGSA-N 1 0 355.394 2.860 20 5 FFBDRO CC[NH+](CC)C[C@@H]1CN([C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CCO1 ZINC001170355719 1003122410 /nfs/dbraw/zinc/12/24/10/1003122410.db2.gz QHOLHUWXXIGAJN-CRAIPNDOSA-N 1 0 365.474 2.577 20 5 FFBDRO CCc1ncnc2c1CC[N@@H+]([C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])CC2 ZINC001170341524 1003130436 /nfs/dbraw/zinc/13/04/36/1003130436.db2.gz QYTYRBBJRAPBGA-AWEZNQCLSA-N 1 0 370.453 2.988 20 5 FFBDRO CN(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H](CC(N)=O)c1ccccc1 ZINC000792881400 1003217961 /nfs/dbraw/zinc/21/79/61/1003217961.db2.gz MCEQVCDTOYXFLN-OAHLLOKOSA-N 1 0 358.354 2.552 20 5 FFBDRO O=[N+]([O-])c1cccc([N+](=O)[O-])c1NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000804560092 1003725875 /nfs/dbraw/zinc/72/58/75/1003725875.db2.gz RLDUZHSRVRJQFQ-BBRMVZONSA-N 1 0 364.402 2.683 20 5 FFBDRO O=[N+]([O-])c1cccc([N+](=O)[O-])c1NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000804607274 1003741925 /nfs/dbraw/zinc/74/19/25/1003741925.db2.gz PZXDCPRNFYATRJ-OAHLLOKOSA-N 1 0 372.381 2.682 20 5 FFBDRO CCOc1cc(NC(=O)NCC2([NH+](C)C)CC2)c([N+](=O)[O-])cc1OCC ZINC001196589274 1003868710 /nfs/dbraw/zinc/86/87/10/1003868710.db2.gz DFCJIHLVNLDMSI-UHFFFAOYSA-N 1 0 366.418 2.608 20 5 FFBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H](CC)[C@H]2CCCOC2)c([N+](=O)[O-])c1 ZINC001197255491 1004144432 /nfs/dbraw/zinc/14/44/32/1004144432.db2.gz KGNQRUHIOYAKTD-ZFWWWQNUSA-N 1 0 365.430 2.727 20 5 FFBDRO CCC[N@H+](C)CC(C)(C)NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001192895485 1004313481 /nfs/dbraw/zinc/31/34/81/1004313481.db2.gz MKEVCOKHLRXPCC-UHFFFAOYSA-N 1 0 363.867 2.647 20 5 FFBDRO Cc1cccc(C[N@@H+](C)Cc2ccccc2CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001050244382 1016928601 /nfs/dbraw/zinc/92/86/01/1016928601.db2.gz PCICPNPRBRCTHK-WOJBJXKFSA-N 1 0 367.449 2.908 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCc3ccc(CO)cc3)CC2)cc1 ZINC000776166462 1005213486 /nfs/dbraw/zinc/21/34/86/1005213486.db2.gz AIWLLFFIJVSZGQ-UHFFFAOYSA-N 1 0 355.438 2.888 20 5 FFBDRO CCCCNC(=O)c1ccc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000776278801 1005344883 /nfs/dbraw/zinc/34/48/83/1005344883.db2.gz VYBOOSWIXGKPNG-LJQANCHMSA-N 1 0 371.437 2.948 20 5 FFBDRO CCc1cccc(C[NH2+]C[C@H]2CC[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 ZINC001050326128 1016968619 /nfs/dbraw/zinc/96/86/19/1016968619.db2.gz SHCIOHBQPKCSDO-NXWXRZEISA-N 1 0 359.470 2.679 20 5 FFBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000851643060 1005902240 /nfs/dbraw/zinc/90/22/40/1005902240.db2.gz MMYWPQDNVLWYIY-AXJDHONKSA-N 1 0 351.406 2.870 20 5 FFBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)NCCCCC[NH+]1CCCCC1 ZINC000110436623 1005944201 /nfs/dbraw/zinc/94/42/01/1005944201.db2.gz NYKUNPCCQUPIRJ-UHFFFAOYSA-N 1 0 367.421 2.885 20 5 FFBDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776592680 1006009809 /nfs/dbraw/zinc/00/98/09/1006009809.db2.gz SFBRWOHOVBEPHH-VQTJNVASSA-N 1 0 355.438 2.835 20 5 FFBDRO CN(C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000776592651 1006010017 /nfs/dbraw/zinc/01/00/17/1006010017.db2.gz WWXJIJYCXOXDBF-PMACEKPBSA-N 1 0 355.438 2.835 20 5 FFBDRO C[C@H]1CN(c2ccc(C(F)F)cc2[N+](=O)[O-])CC[C@H]1[NH+]1CCN(C)CC1 ZINC000853464645 1006398726 /nfs/dbraw/zinc/39/87/26/1006398726.db2.gz MRLUYRAHUVSIIG-DZGCQCFKSA-N 1 0 368.428 2.995 20 5 FFBDRO COCC[N@H+](Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1)[C@@H]1CC[C@@H](C)C1 ZINC000853507864 1006420646 /nfs/dbraw/zinc/42/06/46/1006420646.db2.gz CHSCVPGGFXIYEQ-HUUCEWRRSA-N 1 0 359.430 2.948 20 5 FFBDRO CC(C)NC(=O)[C@@H]1CCC[N@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000853601702 1006469405 /nfs/dbraw/zinc/46/94/05/1006469405.db2.gz FZSPOMJZDVRPRJ-MRXNPFEDSA-N 1 0 371.441 2.652 20 5 FFBDRO Cc1noc(CON=C(N)c2ccccc2C[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000853658068 1006496106 /nfs/dbraw/zinc/49/61/06/1006496106.db2.gz KMEPKSRUYLTNOE-UHFFFAOYSA-N 1 0 373.413 2.924 20 5 FFBDRO C[C@H]1CN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CCN1c1cc[nH+]cc1 ZINC000882822072 1006520071 /nfs/dbraw/zinc/52/00/71/1006520071.db2.gz SQADVHAXODCPIQ-ZDUSSCGKSA-N 1 0 367.409 2.590 20 5 FFBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC000853912822 1006581881 /nfs/dbraw/zinc/58/18/81/1006581881.db2.gz TUPOVXLNCWWDSJ-QZTJIDSGSA-N 1 0 359.426 2.853 20 5 FFBDRO C/C(=C/C(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000854333300 1006783470 /nfs/dbraw/zinc/78/34/70/1006783470.db2.gz PNAPOKBRCHZSTH-WBYGGXTKSA-N 1 0 373.453 2.711 20 5 FFBDRO Cn1c2ccccc2cc(CN2CC(Oc3ccc([N+](=O)[O-])cc3)C2)c1=O ZINC001206194324 1032181065 /nfs/dbraw/zinc/18/10/65/1032181065.db2.gz DJJUGKWWKHGTQL-UHFFFAOYSA-N 1 0 365.389 2.710 20 5 FFBDRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)C2 ZINC000854736791 1006966487 /nfs/dbraw/zinc/96/64/87/1006966487.db2.gz JJITULUGDNKBCD-HXUWFJFHSA-N 1 0 372.469 2.753 20 5 FFBDRO CN1C(=O)CCc2cc(C[NH2+]CCOc3ccc([N+](=O)[O-])cc3)ccc21 ZINC000775305089 1007249802 /nfs/dbraw/zinc/24/98/02/1007249802.db2.gz KABZYUDNCJTCAL-UHFFFAOYSA-N 1 0 355.394 2.672 20 5 FFBDRO CCC1([NH+]2CCC2)CCN(c2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])CC1 ZINC000884717831 1007518447 /nfs/dbraw/zinc/51/84/47/1007518447.db2.gz MVTLIJFKTHYJCP-UHFFFAOYSA-N 1 0 362.430 2.540 20 5 FFBDRO O=[N+]([O-])c1c(N[C@@H](c2ccccc2)C(F)(F)F)ncnc1C1C[NH2+]C1 ZINC001170881001 1007785420 /nfs/dbraw/zinc/78/54/20/1007785420.db2.gz BSIYNWYQYMACFA-ZDUSSCGKSA-N 1 0 353.304 2.787 20 5 FFBDRO O=C1CCCN1c1ccc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000818942262 1007986747 /nfs/dbraw/zinc/98/67/47/1007986747.db2.gz BVSIYXGUAJXXES-SFHVURJKSA-N 1 0 355.394 2.545 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@H]2CCN(c3ccc(F)cc3)C2)cc1 ZINC000818973985 1008014099 /nfs/dbraw/zinc/01/40/99/1008014099.db2.gz AVHAZXUOZXUFFM-AUUYWEPGSA-N 1 0 359.401 2.883 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@H]2CCN(c3ccc(F)cc3)C2)cc1 ZINC000818973987 1008014400 /nfs/dbraw/zinc/01/44/00/1008014400.db2.gz AVHAZXUOZXUFFM-KUHUBIRLSA-N 1 0 359.401 2.883 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@H]2CCN(c3c(F)cccc3F)C2)cc1 ZINC000819147904 1008042840 /nfs/dbraw/zinc/04/28/40/1008042840.db2.gz XIHJJVKMWORDGQ-GUYCJALGSA-N 1 0 363.364 2.775 20 5 FFBDRO Cc1ccc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)c(O[C@@H]2CCOC2)c1 ZINC000819157849 1008046111 /nfs/dbraw/zinc/04/61/11/1008046111.db2.gz YDEKXEVMCYDPEW-MOPGFXCFSA-N 1 0 372.421 2.894 20 5 FFBDRO COc1ccccc1OC[C@@H](C)C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819195382 1008063802 /nfs/dbraw/zinc/06/38/02/1008063802.db2.gz BOZLGAVNYVGKBH-YOEHRIQHSA-N 1 0 360.410 2.942 20 5 FFBDRO Cc1ccc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)c(N2CCCC2)n1 ZINC000819221303 1008077381 /nfs/dbraw/zinc/07/73/81/1008077381.db2.gz XGJNDWRKMUVGDS-GOSISDBHSA-N 1 0 356.426 2.722 20 5 FFBDRO CN1CC[N@H+](C)Cc2ccc(NC[C@H](O)c3cccc([N+](=O)[O-])c3)cc21 ZINC000819465920 1008161803 /nfs/dbraw/zinc/16/18/03/1008161803.db2.gz GZEHDRVGKZQBRG-IBGZPJMESA-N 1 0 356.426 2.622 20 5 FFBDRO C[NH+](C)[C@H]1CCc2ccccc2N(C(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000857932176 1008250767 /nfs/dbraw/zinc/25/07/67/1008250767.db2.gz QLPDUAWSZINRHB-KRWDZBQOSA-N 1 0 369.421 2.883 20 5 FFBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2N)C1 ZINC001136409074 1008407280 /nfs/dbraw/zinc/40/72/80/1008407280.db2.gz IOZTWRRHNUFPHM-DZGCQCFKSA-N 1 0 354.410 2.742 20 5 FFBDRO COCc1cccc(C[NH2+]Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)c1 ZINC001177290054 1008543786 /nfs/dbraw/zinc/54/37/86/1008543786.db2.gz LMNUVHOVNCPPSS-UHFFFAOYSA-N 1 0 374.393 2.583 20 5 FFBDRO Cc1cc(C(=O)N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c(N)c([N+](=O)[O-])c1 ZINC000137512797 1008617277 /nfs/dbraw/zinc/61/72/77/1008617277.db2.gz LBFADFHJRCWQJZ-GOEBONIOSA-N 1 0 368.437 2.878 20 5 FFBDRO CCC1([NH+]2CCC2)CCN(CCOc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000886710868 1008836191 /nfs/dbraw/zinc/83/61/91/1008836191.db2.gz HXGBLJZJYPZAPJ-UHFFFAOYSA-N 1 0 363.458 2.933 20 5 FFBDRO CCC1([NH+]2CCC2)CCN([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000886712867 1008838865 /nfs/dbraw/zinc/83/88/65/1008838865.db2.gz OFZMCAXIYIOSLH-HNNXBMFYSA-N 1 0 360.458 2.872 20 5 FFBDRO CCC1([NH+]2CCC2)CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000886714995 1008839986 /nfs/dbraw/zinc/83/99/86/1008839986.db2.gz ZSEUWGIXHJNDDD-UHFFFAOYSA-N 1 0 360.458 2.874 20 5 FFBDRO COc1cc(CNc2cccc(OCC[NH+](C)C)c2)c([N+](=O)[O-])cc1O ZINC001178051376 1008840861 /nfs/dbraw/zinc/84/08/61/1008840861.db2.gz KMNNFOSGRGUVCO-UHFFFAOYSA-N 1 0 361.398 2.862 20 5 FFBDRO C[N@H+](C[C@](C)(O)c1ccccc1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000823597792 1009134943 /nfs/dbraw/zinc/13/49/43/1009134943.db2.gz BLPUHQYQSWCAFB-ICSRJNTNSA-N 1 0 369.421 2.540 20 5 FFBDRO C[N@@H+]1C[C@@H]2CN(C(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)C[C@]2(C)C1 ZINC000887934612 1009686726 /nfs/dbraw/zinc/68/67/26/1009686726.db2.gz NXFQKJWQGXLLKT-ACJLOTCBSA-N 1 0 372.450 2.742 20 5 FFBDRO CCOC(=O)C1=CC[C@H]([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000862486834 1009855843 /nfs/dbraw/zinc/85/58/43/1009855843.db2.gz IJYKCBKAKKKHBK-INIZCTEOSA-N 1 0 370.409 2.737 20 5 FFBDRO CCOC(=O)c1cc(N2c3ccccc3OC[C@@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC001171398963 1009978002 /nfs/dbraw/zinc/97/80/02/1009978002.db2.gz YCRUCDTUKYBBSH-ZDUSSCGKSA-N 1 0 357.366 2.629 20 5 FFBDRO CC[N@H+](C)[C@@H]1CCN(C(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])C1 ZINC001181839383 1010277601 /nfs/dbraw/zinc/27/76/01/1010277601.db2.gz LMWGOOBKSKJYAZ-OAHLLOKOSA-N 1 0 354.410 2.823 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]Cc2cccnc2-n2ccnc2)n1 ZINC000774124894 1010483538 /nfs/dbraw/zinc/48/35/38/1010483538.db2.gz YKXXARKBWFHBHP-JKSUJKDBSA-N 1 0 367.413 2.646 20 5 FFBDRO COc1ccccc1[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000774134017 1010487001 /nfs/dbraw/zinc/48/70/01/1010487001.db2.gz KACCUZCUNLHICD-BZUAXINKSA-N 1 0 360.414 2.607 20 5 FFBDRO C[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)CC1(C)OCCO1 ZINC000865674430 1010838785 /nfs/dbraw/zinc/83/87/85/1010838785.db2.gz MJBIXBDRMRUCQV-CQSZACIVSA-N 1 0 374.441 2.874 20 5 FFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CCCc2c1cnn2CCO ZINC000866245136 1010961139 /nfs/dbraw/zinc/96/11/39/1010961139.db2.gz XRLIAFUSIWKOLI-BLLLJJGKSA-N 1 0 362.405 2.521 20 5 FFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H]1CCC2(CCOCC2)[C@H]1O ZINC000866352914 1010982222 /nfs/dbraw/zinc/98/22/22/1010982222.db2.gz BZHPLUCKRNNWBI-SIIHOXLZSA-N 1 0 366.433 2.822 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@H]1CCCN(c3ccncn3)C1)CC2 ZINC001172904089 1012078008 /nfs/dbraw/zinc/07/80/08/1012078008.db2.gz LLWPKUBQTUAJQM-MSOLQXFVSA-N 1 0 367.453 2.891 20 5 FFBDRO Cc1cnc(N2CC[NH+]([C@H]3CCc4ccc([N+](=O)[O-])cc4CC3)CC2)nc1 ZINC001172914135 1012096999 /nfs/dbraw/zinc/09/69/99/1012096999.db2.gz ZUZJYEJNCYXQBS-SFHVURJKSA-N 1 0 367.453 2.763 20 5 FFBDRO CCOc1ccc([C@@H](CO)[NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)cn1 ZINC001172895212 1012097989 /nfs/dbraw/zinc/09/79/89/1012097989.db2.gz AXWGPHLVVYOWOU-IEBWSBKVSA-N 1 0 371.437 2.959 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H](N1CC[NH+](C3CCOCC3)CC1)CC2 ZINC001172916073 1012099692 /nfs/dbraw/zinc/09/96/92/1012099692.db2.gz QKNGLKGXQFCNSI-SFHVURJKSA-N 1 0 359.470 2.639 20 5 FFBDRO Cc1nocc1C[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173006354 1012174201 /nfs/dbraw/zinc/17/42/01/1012174201.db2.gz RWRZKVGGLHDYFJ-UHFFFAOYSA-N 1 0 352.341 2.928 20 5 FFBDRO C[C@@H]([NH3+])c1ccn(C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)n1 ZINC001173008049 1012176021 /nfs/dbraw/zinc/17/60/21/1012176021.db2.gz KSHJYLSAHPVJAR-SNVBAGLBSA-N 1 0 351.357 2.931 20 5 FFBDRO C[NH+]1CCC(CNC(=O)Cc2cccc([N+](=O)[O-])c2)(c2ccccc2)CC1 ZINC000870190271 1012255308 /nfs/dbraw/zinc/25/53/08/1012255308.db2.gz YLJKXDWBPCWUKR-UHFFFAOYSA-N 1 0 367.449 2.917 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C2CC(O)(C(F)(F)F)C2)c1F ZINC001173181083 1012324575 /nfs/dbraw/zinc/32/45/75/1012324575.db2.gz ASSOGMPNDHYXIZ-JUXJKVCFSA-N 1 0 366.311 2.719 20 5 FFBDRO COc1cnccc1CC[NH2+][C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173184433 1012328066 /nfs/dbraw/zinc/32/80/66/1012328066.db2.gz NECWRNGXAXYHOE-GFCCVEGCSA-N 1 0 363.389 2.909 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CCC[N@@H+]3CCC[C@H]3C2)c1F ZINC001173190520 1012331366 /nfs/dbraw/zinc/33/13/66/1012331366.db2.gz UUFJUGKNZLRXQW-KBPBESRZSA-N 1 0 351.422 2.844 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+](C)Cc2cc(C)nn2C)c1F ZINC001173189840 1012331713 /nfs/dbraw/zinc/33/17/13/1012331713.db2.gz MXZHXKOFXGMZDZ-LBPRGKRZSA-N 1 0 350.394 2.847 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@H](C(=O)NC(C)C)C(C)C)c1F ZINC001173190845 1012332582 /nfs/dbraw/zinc/33/25/82/1012332582.db2.gz HYFCSLLNMBFOBF-SJCJKPOMSA-N 1 0 369.437 2.812 20 5 FFBDRO COC(=O)[C@@H]1CCC[N@H+]([C@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])[C@@H]1C ZINC001173192225 1012334560 /nfs/dbraw/zinc/33/45/60/1012334560.db2.gz JUEOHMNMIDBDAF-JHJVBQTASA-N 1 0 368.405 2.947 20 5 FFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC001173223110 1012354764 /nfs/dbraw/zinc/35/47/64/1012354764.db2.gz XXUNDXQHMGYGSY-SJWGOKEGSA-N 1 0 361.442 2.981 20 5 FFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCN(c2nccc(Cl)n2)CC1 ZINC001173234229 1012368117 /nfs/dbraw/zinc/36/81/17/1012368117.db2.gz QELYHRVPDHUDDF-ZDUSSCGKSA-N 1 0 361.833 2.791 20 5 FFBDRO C[C@@](N)(C(=O)N1CCO[C@@](C)(c2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000870905688 1012626857 /nfs/dbraw/zinc/62/68/57/1012626857.db2.gz BWARNVHEVVKUDY-UXHICEINSA-N 1 0 369.421 2.543 20 5 FFBDRO C[NH+](C)C1(C)CCC(NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000871361309 1012884882 /nfs/dbraw/zinc/88/48/82/1012884882.db2.gz VMBZDLBCNMTZAH-UHFFFAOYSA-N 1 0 361.442 2.937 20 5 FFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+][C@H]2C[C@@](CO)(c3ccccc3)C2)n1 ZINC000927157036 1018384309 /nfs/dbraw/zinc/38/43/09/1018384309.db2.gz NFOFDIKNBBCVAL-CGBFIWBNSA-N 1 0 370.453 2.957 20 5 FFBDRO Cc1ccc(CCC[NH+]2CCC(C)(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1 ZINC001045437160 1019965810 /nfs/dbraw/zinc/96/58/10/1019965810.db2.gz GQFXZQZGAPKJSY-QZTJIDSGSA-N 1 0 359.470 2.564 20 5 FFBDRO Cn1ccnc1[C@@H](N[C@@H]1Cc2ccccc2[C@H]1[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000902435876 1020200886 /nfs/dbraw/zinc/20/08/86/1020200886.db2.gz WLOSPNMKDASQAW-QRVBRYPASA-N 1 0 363.421 2.632 20 5 FFBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCc3nc[nH]c3C23CCOCC3)cc1 ZINC000931103669 1020322441 /nfs/dbraw/zinc/32/24/41/1020322441.db2.gz WGGMGAJXCCYJHV-UHFFFAOYSA-N 1 0 372.425 2.651 20 5 FFBDRO COC(=O)[C@@H](C)C[N@H+](Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1)C1CC1 ZINC000777956831 1020331540 /nfs/dbraw/zinc/33/15/40/1020331540.db2.gz QXPCCVHMIYFGGW-ZDUSSCGKSA-N 1 0 358.398 2.689 20 5 FFBDRO Cn1ccc([C@H]2CCC[N@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000932133627 1020714228 /nfs/dbraw/zinc/71/42/28/1020714228.db2.gz FDMREMSRPVDHGD-AWEZNQCLSA-N 1 0 357.414 2.537 20 5 FFBDRO Cn1ccc([C@@H]2CCC[N@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000932133628 1020714960 /nfs/dbraw/zinc/71/49/60/1020714960.db2.gz FDMREMSRPVDHGD-CQSZACIVSA-N 1 0 357.414 2.537 20 5 FFBDRO COc1cc([C@H](C)[NH2+]Cc2ccc3oc(=O)n(C)c3c2)cc([N+](=O)[O-])c1 ZINC000903208001 1020739940 /nfs/dbraw/zinc/73/99/40/1020739940.db2.gz XUTLFPYUXXJXNM-NSHDSACASA-N 1 0 357.366 2.899 20 5 FFBDRO O=[N+]([O-])c1cc(O[C@@H]2CCCC[NH2+]C2)ccc1I ZINC001217976569 1032929957 /nfs/dbraw/zinc/92/99/57/1032929957.db2.gz XDEYTQDDBLESGF-SNVBAGLBSA-N 1 0 362.167 2.720 20 5 FFBDRO O=c1c2c(O[C@@H]3CCCC[NH2+]C3)cc(O)cc2oc2c(O)ccc(O)c12 ZINC001217972964 1032927373 /nfs/dbraw/zinc/92/73/73/1032927373.db2.gz AXWWMPOQMLBGLU-LLVKDONJSA-N 1 0 357.362 2.584 20 5 FFBDRO COC(=O)[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2C)[C@H]([C@H]2CCCO2)C1 ZINC000933183021 1020974068 /nfs/dbraw/zinc/97/40/68/1020974068.db2.gz ZVKNIKACKZMOPW-FHLIZLRMSA-N 1 0 362.426 2.836 20 5 FFBDRO COC(=O)[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2C)[C@@H]([C@@H]2CCCO2)C1 ZINC000933183023 1020974710 /nfs/dbraw/zinc/97/47/10/1020974710.db2.gz ZVKNIKACKZMOPW-OLMNPRSZSA-N 1 0 362.426 2.836 20 5 FFBDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000749601189 1021012375 /nfs/dbraw/zinc/01/23/75/1021012375.db2.gz DZYVWWXFDHZJPP-CQSZACIVSA-N 1 0 364.402 2.887 20 5 FFBDRO CC[C@H](C)NC(=O)c1cccc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000749676898 1021019601 /nfs/dbraw/zinc/01/96/01/1021019601.db2.gz MZQZMTVFQKIVJZ-IFXJQAMLSA-N 1 0 371.437 2.946 20 5 FFBDRO Cc1nn(CN2CCC[C@@H]2C[NH+]2CCCCC2)c2ncc([N+](=O)[O-])cc12 ZINC000749954765 1021162661 /nfs/dbraw/zinc/16/26/61/1021162661.db2.gz NZHWFIIPFGQXFP-OAHLLOKOSA-N 1 0 358.446 2.556 20 5 FFBDRO Cc1cccc(NC[C@@H]2CCC[N@@H+]2C[C@@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC001116351699 1021175947 /nfs/dbraw/zinc/17/59/47/1021175947.db2.gz ISHFVUOFCWVLBW-ZWKOTPCHSA-N 1 0 356.426 2.908 20 5 FFBDRO COc1ccc([C@@H]2CCC[N@@H+]2C[C@@H](O)COc2ccccc2[N+](=O)[O-])nc1 ZINC000934343790 1021203284 /nfs/dbraw/zinc/20/32/84/1021203284.db2.gz PLYVPNHFKIJCRI-PBHICJAKSA-N 1 0 373.409 2.575 20 5 FFBDRO O=[N+]([O-])c1c(I)cccc1O[C@@H]1CC[C@@]12CC[NH2+]C2 ZINC001218117798 1033006952 /nfs/dbraw/zinc/00/69/52/1033006952.db2.gz MPXUKAYLUXAMCF-YPMHNXCESA-N 1 0 374.178 2.720 20 5 FFBDRO C[C@@H](CC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)N(C)C(=O)OC(C)(C)C ZINC001118149626 1022092389 /nfs/dbraw/zinc/09/23/89/1022092389.db2.gz LFBFRYKGGAHUMZ-XJKSGUPXSA-N 1 0 367.446 2.863 20 5 FFBDRO CCC(C)(C)c1cc([N+](=O)[O-])c(OC[C@H]2C[NH2+]CCO2)c([N+](=O)[O-])c1 ZINC001218175757 1033032335 /nfs/dbraw/zinc/03/23/35/1033032335.db2.gz FSSNJBFPYFCIJF-GFCCVEGCSA-N 1 0 353.375 2.558 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H](CO)CC1CCOCC1 ZINC001118488875 1022259524 /nfs/dbraw/zinc/25/95/24/1022259524.db2.gz APKJZDNVGURFMH-DZGCQCFKSA-N 1 0 352.431 2.679 20 5 FFBDRO CC[C@@H](C(=O)O[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1)[NH+](CC)CC ZINC000778813666 1022399808 /nfs/dbraw/zinc/39/98/08/1022399808.db2.gz JQHGXYKXWHTWEM-ZBFHGGJFSA-N 1 0 367.421 2.976 20 5 FFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCC(=O)N1CCC[C@@H](C)C1 ZINC001118990665 1022510058 /nfs/dbraw/zinc/51/00/58/1022510058.db2.gz CAHPYTUHCDRDNB-ZIAGYGMSSA-N 1 0 351.422 2.903 20 5 FFBDRO O=C(NC[C@@H]1C[NH2+]CCC1(F)F)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC001119383261 1022728658 /nfs/dbraw/zinc/72/86/58/1022728658.db2.gz VZBOKBXAOHOXSL-JTQLQIEISA-N 1 0 355.366 2.784 20 5 FFBDRO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000779060802 1022736008 /nfs/dbraw/zinc/73/60/08/1022736008.db2.gz FUSXFMJBDPRARE-GOEBONIOSA-N 1 0 365.430 2.617 20 5 FFBDRO Cc1ccc(C[NH+]2CCC3(CCN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)CC2)cc1C ZINC001040701330 1022954123 /nfs/dbraw/zinc/95/41/23/1022954123.db2.gz ZSTGVLAFQNMJDG-RTBURBONSA-N 1 0 371.481 2.783 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)CSc3ccc([N+](=O)[O-])cc3)C[C@H]2C1 ZINC001120388272 1023320022 /nfs/dbraw/zinc/32/00/22/1023320022.db2.gz TWBIDZONONXKHX-IIAWOOMASA-N 1 0 363.483 2.876 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@]23C[N@H+](C)C[C@@]2(C1)CCCC3 ZINC001120756644 1023453325 /nfs/dbraw/zinc/45/33/25/1023453325.db2.gz TXWIASKLHKQPRX-KDURUIRLSA-N 1 0 359.426 2.551 20 5 FFBDRO COC(=O)c1cc(Br)cc([N+](=O)[O-])c1O[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001218391700 1033133766 /nfs/dbraw/zinc/13/37/66/1033133766.db2.gz GDPMRBAGJCTIFV-SCZZXKLOSA-N 1 0 373.203 2.663 20 5 FFBDRO CCOc1cc(C[N@@H+]2CCCC[C@H]2CN2CCCC2=O)ccc1[N+](=O)[O-] ZINC000755001875 1023552881 /nfs/dbraw/zinc/55/28/81/1023552881.db2.gz MTKXLJOBNHEUIZ-INIZCTEOSA-N 1 0 361.442 2.970 20 5 FFBDRO COc1c(=O)n2c3ccccc3c3ccnc(c32)c1O[C@H]1CC[C@H](C)[NH2+]C1 ZINC001218407295 1033142073 /nfs/dbraw/zinc/14/20/73/1033142073.db2.gz LSCPSBPWIBOBCD-STQMWFEESA-N 1 0 363.417 2.967 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)c2nnc(-c3ccc([N+](=O)[O-])s3)n2C)[C@@H](C)C1 ZINC001121269082 1023681304 /nfs/dbraw/zinc/68/13/04/1023681304.db2.gz YPQFFFMNFYFPAS-RYUDHWBXSA-N 1 0 364.475 2.618 20 5 FFBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000757790932 1023860549 /nfs/dbraw/zinc/86/05/49/1023860549.db2.gz SVCVSRODCJIYGX-RNCFNFMXSA-N 1 0 370.356 2.800 20 5 FFBDRO CCn1c(-c2ccc([N+](=O)[O-])o2)nnc1N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC001121698219 1023933939 /nfs/dbraw/zinc/93/39/39/1023933939.db2.gz CVHSMZVGPNHNLK-STQMWFEESA-N 1 0 362.434 2.633 20 5 FFBDRO CCn1c([C@H](C)[N+](=O)[O-])nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC001121700259 1023934817 /nfs/dbraw/zinc/93/48/17/1023934817.db2.gz UNTHOXWKJXLOKU-JYJNAYRXSA-N 1 0 364.494 2.727 20 5 FFBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)CCc3ccc([N+](=O)[O-])cc3Cl)C[C@H]21 ZINC001121932270 1024181711 /nfs/dbraw/zinc/18/17/11/1024181711.db2.gz WQQJEZBEQVDYRA-JGGQBBKZSA-N 1 0 351.834 2.767 20 5 FFBDRO O=C(Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001122071701 1024317492 /nfs/dbraw/zinc/31/74/92/1024317492.db2.gz YLWSAFAMKIHYAZ-OTWHNJEPSA-N 1 0 367.405 2.998 20 5 FFBDRO C[NH+](C)CCOc1cc(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)ccn1 ZINC001124333136 1024321325 /nfs/dbraw/zinc/32/13/25/1024321325.db2.gz YVIPDQDDYZVIMB-UHFFFAOYSA-N 1 0 364.789 2.836 20 5 FFBDRO [NH3+][C@@H]1CN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CC[C@H]1C(F)(F)F ZINC001122160184 1024395311 /nfs/dbraw/zinc/39/53/11/1024395311.db2.gz WVKHNNLUMQSMCC-ZIAGYGMSSA-N 1 0 371.359 2.755 20 5 FFBDRO COc1cccc(C(=O)N2C[C@H]([NH+](C)C)Cc3ccccc32)c1[N+](=O)[O-] ZINC000194325557 1024780152 /nfs/dbraw/zinc/78/01/52/1024780152.db2.gz NXCPNUHKDPVXLD-CQSZACIVSA-N 1 0 355.394 2.737 20 5 FFBDRO CCC(CC)C[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001101540691 1024884775 /nfs/dbraw/zinc/88/47/75/1024884775.db2.gz PNPDZFDOYYKYHR-IAGOWNOFSA-N 1 0 353.507 2.942 20 5 FFBDRO C[N@H+](CCOC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)Cc1ccccc1 ZINC000837386018 1025763651 /nfs/dbraw/zinc/76/36/51/1025763651.db2.gz JFTJIFNAHUJNGX-UHFFFAOYSA-N 1 0 372.377 2.655 20 5 FFBDRO C[C@H]1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCN1C(=O)OC(C)(C)C ZINC000246247041 1025907416 /nfs/dbraw/zinc/90/74/16/1025907416.db2.gz ITJMZRVHNQUKGK-XJKSGUPXSA-N 1 0 365.430 2.569 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)cnc1NC1CC[NH+](CC2CCOCC2)CC1 ZINC001161213151 1026564054 /nfs/dbraw/zinc/56/40/54/1026564054.db2.gz RDIHGTJZQBSBPD-UHFFFAOYSA-N 1 0 354.838 2.946 20 5 FFBDRO COC(=O)c1cccc([C@@H]2C[NH2+]CCN2c2nc(C)cc(C)c2[N+](=O)[O-])c1 ZINC001159055327 1027249176 /nfs/dbraw/zinc/24/91/76/1027249176.db2.gz WZZWGSKGJHXKBU-INIZCTEOSA-N 1 0 370.409 2.544 20 5 FFBDRO CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNc2ccc3ccc4cccnc4c3n2)O1 ZINC001159239160 1027320067 /nfs/dbraw/zinc/32/00/67/1027320067.db2.gz XUJYZAFXBJLTEK-QINHECLXSA-N 1 0 352.438 2.920 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(N(CC[NH3+])C23CC4CC(CC(C4)C2)C3)n1 ZINC001159545773 1027427491 /nfs/dbraw/zinc/42/74/91/1027427491.db2.gz CDPFCLPSNVFMCU-UHFFFAOYSA-N 1 0 374.441 2.510 20 5 FFBDRO Cc1ccc(C[N@H+]2CC=C(CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1C ZINC001160106786 1027593341 /nfs/dbraw/zinc/59/33/41/1027593341.db2.gz BUYXYMJFRYQPCJ-RTBURBONSA-N 1 0 357.454 2.607 20 5 FFBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1cc(C(=O)OCC)cc([N+](=O)[O-])c1 ZINC001160702110 1027813787 /nfs/dbraw/zinc/81/37/87/1027813787.db2.gz GFCDUJVBSGDKEI-ZDUSSCGKSA-N 1 0 365.430 2.622 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCC2CC[NH+](CC3CCC3)CC2)n1 ZINC001161233959 1028085355 /nfs/dbraw/zinc/08/53/55/1028085355.db2.gz ADGYXUCELBWKFI-UHFFFAOYSA-N 1 0 362.430 2.700 20 5 FFBDRO [NH3+][C@H]1CC[C@H](N(c2ccncn2)c2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC001161366316 1028148666 /nfs/dbraw/zinc/14/86/66/1028148666.db2.gz ARMPLDMZVFAGND-JOCQHMNTSA-N 1 0 365.397 2.736 20 5 FFBDRO COc1cccc(CC2([NH3+])CCN(c3ncc(C)cc3[N+](=O)[O-])CC2)c1 ZINC001162044971 1028413450 /nfs/dbraw/zinc/41/34/50/1028413450.db2.gz DHGQCVXVSBDPTJ-UHFFFAOYSA-N 1 0 356.426 2.847 20 5 FFBDRO C[NH+](C)C[C@@H]1COCCN1c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC001154983926 1028535773 /nfs/dbraw/zinc/53/57/73/1028535773.db2.gz FYFWIHAWVUURJJ-OAHLLOKOSA-N 1 0 360.389 2.563 20 5 FFBDRO O=[N+]([O-])c1cccc2ncnc(N3CC[N@@H+]4CCc5ccccc5[C@@H]4C3)c21 ZINC001155103501 1028581328 /nfs/dbraw/zinc/58/13/28/1028581328.db2.gz QDJUHMBTMHTQAJ-SFHVURJKSA-N 1 0 361.405 2.957 20 5 FFBDRO CCOC(=O)c1cnc(-n2c3ccccc3nc2[C@@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC001162757583 1028647155 /nfs/dbraw/zinc/64/71/55/1028647155.db2.gz BKQBMNURWZLDPT-SNVBAGLBSA-N 1 0 355.354 2.525 20 5 FFBDRO CSc1nc(Cl)nc(N2C[C@@H]([NH3+])Cc3ccccc32)c1[N+](=O)[O-] ZINC001155299407 1028665250 /nfs/dbraw/zinc/66/52/50/1028665250.db2.gz OAUQVFQFFUYRGM-VIFPVBQESA-N 1 0 351.819 2.782 20 5 FFBDRO CCc1cc(NC2CC3(C2)CCC[NH2+]C3)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001162985832 1028746984 /nfs/dbraw/zinc/74/69/84/1028746984.db2.gz DRBHQWKIOGPILG-UHFFFAOYSA-N 1 0 367.453 2.980 20 5 FFBDRO O=[N+]([O-])c1cc2c(ncnc2NCC[C@@H]2C[NH2+]Cc3cccn3C2)s1 ZINC001163056095 1028777013 /nfs/dbraw/zinc/77/70/13/1028777013.db2.gz AONVSVAZADSQIT-LLVKDONJSA-N 1 0 358.427 2.623 20 5 FFBDRO CS(=O)(=O)c1ccc(N[C@@H]2CC[NH2+][C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC001163219652 1028844072 /nfs/dbraw/zinc/84/40/72/1028844072.db2.gz CPWLHFIYLQMUSJ-WBVHZDCISA-N 1 0 361.423 2.513 20 5 FFBDRO CN(C)CC[N@H+](C)CCCNc1cccc(Br)c1[N+](=O)[O-] ZINC001163437020 1028926508 /nfs/dbraw/zinc/92/65/08/1028926508.db2.gz IACQDSSYGABIBC-UHFFFAOYSA-N 1 0 359.268 2.653 20 5 FFBDRO COC(=O)c1ccc([C@@H]([NH3+])CNc2nc(Cl)cc(C)c2[N+](=O)[O-])cc1 ZINC001163463193 1028935770 /nfs/dbraw/zinc/93/57/70/1028935770.db2.gz VOZCDJQDZPAGPU-LBPRGKRZSA-N 1 0 364.789 2.850 20 5 FFBDRO CCOC(=O)CC1([NH3+])CCN(c2cc(C)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC001163527707 1028960002 /nfs/dbraw/zinc/96/00/02/1028960002.db2.gz FMPZEPGGOOASRR-UHFFFAOYSA-N 1 0 372.425 2.702 20 5 FFBDRO C[C@H]1[C@H](NC(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC001155894206 1028962722 /nfs/dbraw/zinc/96/27/22/1028962722.db2.gz SHDSLIHJCBPEPE-QSJFSLAZSA-N 1 0 374.485 2.900 20 5 FFBDRO COc1ccc2c(c1)c(C1CC[NH2+]CC1)cn2-c1cc([N+](=O)[O-])cc[n+]1[O-] ZINC001156014078 1029012838 /nfs/dbraw/zinc/01/28/38/1029012838.db2.gz WOVUXXNXGYXKMB-UHFFFAOYSA-N 1 0 368.393 2.648 20 5 FFBDRO O=[N+]([O-])c1c[nH]c2ccc(-n3ccc4cc(N5CC[NH2+]CC5)ccc43)nc21 ZINC001156215976 1029096047 /nfs/dbraw/zinc/09/60/47/1029096047.db2.gz WTFCHHHTWVWWQJ-UHFFFAOYSA-N 1 0 362.393 2.825 20 5 FFBDRO COc1nc(N(C)[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C)ncc1[N+](=O)[O-] ZINC001156333221 1029151894 /nfs/dbraw/zinc/15/18/94/1029151894.db2.gz XQFHDLZIBPQBPZ-YOEHRIQHSA-N 1 0 371.441 2.740 20 5 FFBDRO CC[C@H](C)[C@H](Nc1ccc([N+](=O)[O-])c(OCC[NH+](C)C)c1)C(=O)OC ZINC001164134548 1029182915 /nfs/dbraw/zinc/18/29/15/1029182915.db2.gz LTLPYWIHMIGDLC-LRDDRELGSA-N 1 0 353.419 2.535 20 5 FFBDRO Cc1cc(N2CCN(c3ncc([N+](=O)[O-])c(C)n3)CC2)c2ccccc2[nH+]1 ZINC001164203232 1029198921 /nfs/dbraw/zinc/19/89/21/1029198921.db2.gz OGROOYDZWPPJDU-UHFFFAOYSA-N 1 0 364.409 2.876 20 5 FFBDRO CC(C)(CNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N)C[NH+]1CCCC1 ZINC001156560547 1029247143 /nfs/dbraw/zinc/24/71/43/1029247143.db2.gz GLNFLBQMLDSJFA-UHFFFAOYSA-N 1 0 372.828 2.821 20 5 FFBDRO CNC(=O)c1ccc(N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C(C)C)c([N+](=O)[O-])c1 ZINC001164350861 1029255045 /nfs/dbraw/zinc/25/50/45/1029255045.db2.gz MOPMWGNPOCEBCD-DOTOQJQBSA-N 1 0 360.458 2.654 20 5 FFBDRO O=[N+]([O-])c1cc[n+]([O-])cc1N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164492477 1029298032 /nfs/dbraw/zinc/29/80/32/1029298032.db2.gz LOXPPCYMPOCDBD-GVDBMIGSSA-N 1 0 354.410 2.551 20 5 FFBDRO O=[N+]([O-])c1cc(NCC[NH+]2CCSCC2)c2ncnc(Cl)c2c1 ZINC001157050302 1029451166 /nfs/dbraw/zinc/45/11/66/1029451166.db2.gz QFZDSSDXNHKPQE-UHFFFAOYSA-N 1 0 353.835 2.652 20 5 FFBDRO O=C(NCCC[NH2+]Cc1cccc(Oc2ccccc2)c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157767878 1029658791 /nfs/dbraw/zinc/65/87/91/1029658791.db2.gz ZPOUWARQMVGJIL-RTBURBONSA-N 1 0 369.421 2.740 20 5 FFBDRO O=C(NCCC[NH2+]Cc1ccc(C2CCCCC2)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157767450 1029659239 /nfs/dbraw/zinc/65/92/39/1029659239.db2.gz NFGMCRAWHJOQSH-RTBURBONSA-N 1 0 359.470 2.995 20 5 FFBDRO C[N@@H+]1CCCC12CCN(c1ccc([N+](=O)[O-])cc1C(=O)NC1CC1)CC2 ZINC000782357134 1029670171 /nfs/dbraw/zinc/67/01/71/1029670171.db2.gz HRUTWPFGOAXDKS-UHFFFAOYSA-N 1 0 358.442 2.552 20 5 FFBDRO [NH3+]CCc1nc(-c2ccccc2)nn1-c1nccc2ccc([N+](=O)[O-])cc21 ZINC001157904270 1029682877 /nfs/dbraw/zinc/68/28/77/1029682877.db2.gz KHJBPRAKBGYGPC-UHFFFAOYSA-N 1 0 360.377 2.892 20 5 FFBDRO Cc1ncn(-c2ccc(-c3ccccc3[N+](=O)[O-])nn2)c1CSCC[NH3+] ZINC001157966134 1029694097 /nfs/dbraw/zinc/69/40/97/1029694097.db2.gz LTNHGPOXFPQSBG-UHFFFAOYSA-N 1 0 370.438 2.738 20 5 FFBDRO CSc1nc(Cl)c([N+](=O)[O-])c(-n2cnc3ccc(C[NH3+])cc32)n1 ZINC001158007411 1029708322 /nfs/dbraw/zinc/70/83/22/1029708322.db2.gz OSWMWZUAAMMBEQ-UHFFFAOYSA-N 1 0 350.791 2.558 20 5 FFBDRO COc1ccc(CN(c2ncc([N+](=O)[O-])cc2N)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001158158992 1029747586 /nfs/dbraw/zinc/74/75/86/1029747586.db2.gz ZQXOKLOSDBVKQE-SHTZXODSSA-N 1 0 371.441 2.857 20 5 FFBDRO COc1ccnc(N(c2nccc(Cl)c2[N+](=O)[O-])C2CC[NH2+]CC2)c1 ZINC001158320494 1029796670 /nfs/dbraw/zinc/79/66/70/1029796670.db2.gz LQDSVJSYIFQCIM-UHFFFAOYSA-N 1 0 363.805 2.937 20 5 FFBDRO COc1cc(N(c2cc([N+](=O)[O-])c3cc[nH]c3n2)C2CC[NH2+]CC2)ccn1 ZINC001158331526 1029800079 /nfs/dbraw/zinc/80/00/79/1029800079.db2.gz WYZKKVPZPXRBOT-UHFFFAOYSA-N 1 0 368.397 2.765 20 5 FFBDRO Cc1cc(N(c2ncc([N+](=O)[O-])c(C)c2C)C2CC[NH2+]CC2)nc(C)n1 ZINC001158391404 1029818236 /nfs/dbraw/zinc/81/82/36/1029818236.db2.gz CYSMGSQIQSHQHG-UHFFFAOYSA-N 1 0 356.430 2.904 20 5 FFBDRO C[C@@H]([NH2+][C@@H]1CCN(c2ccc(F)cc2)C1=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000840882163 1029904508 /nfs/dbraw/zinc/90/45/08/1029904508.db2.gz MRBZBAGNQRFVSP-BDJLRTHQSA-N 1 0 358.373 2.772 20 5 FFBDRO C[NH+](C)Cc1ccc(NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)c(F)c1 ZINC001142143145 1030086585 /nfs/dbraw/zinc/08/65/85/1030086585.db2.gz OMLQIIKNHWNQOG-UHFFFAOYSA-N 1 0 365.336 2.952 20 5 FFBDRO Cc1ccnc(N2CCCn3cnc(C[NH2+]C4CCC4)c3C2)c1[N+](=O)[O-] ZINC001165908563 1030166439 /nfs/dbraw/zinc/16/64/39/1030166439.db2.gz LGHIZHSEXVRRBS-UHFFFAOYSA-N 1 0 356.430 2.547 20 5 FFBDRO CC(C)(C)OC(=O)NC1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CCOCC1 ZINC000697044081 1030189572 /nfs/dbraw/zinc/18/95/72/1030189572.db2.gz ZFVSKOWXPJEIQH-UHFFFAOYSA-N 1 0 365.430 2.758 20 5 FFBDRO O=C1NC2(CC[NH2+]CC2)N(c2ncc(Cl)cc2[N+](=O)[O-])c2ccccc21 ZINC001166808255 1030526119 /nfs/dbraw/zinc/52/61/19/1030526119.db2.gz ZDZGGXACSMOBLL-UHFFFAOYSA-N 1 0 373.800 2.604 20 5 FFBDRO O=C1NC2(CC[NH2+]CC2)N(c2cc([N+](=O)[O-])cc(Cl)n2)c2ccccc21 ZINC001166807593 1030526247 /nfs/dbraw/zinc/52/62/47/1030526247.db2.gz MBBQFGYNYVQHHI-UHFFFAOYSA-N 1 0 373.800 2.604 20 5 FFBDRO O=[N+]([O-])c1cc(NC[C@H](c2ccccc2)[NH+]2CCCC2)cn2cnnc12 ZINC001166909606 1030572027 /nfs/dbraw/zinc/57/20/27/1030572027.db2.gz FHOIYHMSAYYLQU-QGZVFWFLSA-N 1 0 352.398 2.887 20 5 FFBDRO O=[N+]([O-])c1cccc(N2CC[NH+](Cc3cccc4c3CCOC4)CC2)c1 ZINC001167004477 1030606064 /nfs/dbraw/zinc/60/60/64/1030606064.db2.gz JYCKZRFNVBEWII-UHFFFAOYSA-N 1 0 353.422 2.990 20 5 FFBDRO C/C(=C\C(=O)OC[C@H]1C[N@H+](CC(C)C)CCO1)c1ccc([N+](=O)[O-])cc1 ZINC000784870966 1030855010 /nfs/dbraw/zinc/85/50/10/1030855010.db2.gz JUGTWXMKMUZMFO-SPQRHKFCSA-N 1 0 362.426 2.898 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000797520846 1031143473 /nfs/dbraw/zinc/14/34/73/1031143473.db2.gz PXHNGSNYJZKKAI-HNNXBMFYSA-N 1 0 365.430 2.996 20 5 FFBDRO [NH3+]C1CCN(c2ccc(-c3noc(-c4ccc([N+](=O)[O-])cn4)n3)cc2)CC1 ZINC000843141929 1031206551 /nfs/dbraw/zinc/20/65/51/1031206551.db2.gz WTFQLDNMAXTKAE-UHFFFAOYSA-N 1 0 366.381 2.634 20 5 FFBDRO COc1cc(Cc2noc(C[C@@H](C)[C@H]3CCC[NH2+]C3)n2)ccc1[N+](=O)[O-] ZINC000843191729 1031235334 /nfs/dbraw/zinc/23/53/34/1031235334.db2.gz LFBUJORBGIFNJI-OCCSQVGLSA-N 1 0 360.414 2.755 20 5 FFBDRO [NH2+]=c1ccc2nc3c(cc(NC(=O)[C@H]4CCC(=O)N4)c4ccccc43)oc-2c1 ZINC001143131231 1031255624 /nfs/dbraw/zinc/25/56/24/1031255624.db2.gz ZAJKTKBYSNLMEL-OAHLLOKOSA-N 1 0 372.384 2.782 20 5 FFBDRO [NH3+][C@H]1CCN([C@@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)C1 ZINC000843346729 1031339199 /nfs/dbraw/zinc/33/91/99/1031339199.db2.gz UBPAQWWQGHAXQM-SUMWQHHRSA-N 1 0 374.828 2.961 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H]2C[C@H]([NH+](C)C)C23CCC3)c1 ZINC001149197951 1031455137 /nfs/dbraw/zinc/45/51/37/1031455137.db2.gz WUISRCMLIUZSBZ-SJORKVTESA-N 1 0 361.442 2.661 20 5 FFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(C[NH2+]CCCCc2ccccc2)CC1 ZINC001205223473 1031607886 /nfs/dbraw/zinc/60/78/86/1031607886.db2.gz BTCVSMNXTYJOAX-RTBURBONSA-N 1 0 359.470 2.503 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](c2ccccn2)C1 ZINC000799193832 1031688660 /nfs/dbraw/zinc/68/86/60/1031688660.db2.gz BDYQYXUQVWWYOZ-CQSZACIVSA-N 1 0 370.409 2.817 20 5 FFBDRO O=C(NCC1([NH2+]Cc2ccc(F)cc2F)CCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001115530891 1031789124 /nfs/dbraw/zinc/78/91/24/1031789124.db2.gz XBKIKJOTSZUNJO-GDBMZVCRSA-N 1 0 367.396 2.539 20 5 FFBDRO COC(=O)c1cccc2[nH]c([C@@](F)(Cl)O[C@H](C)C[N+](C)(C)C)nc21 ZINC001223402739 1033430050 /nfs/dbraw/zinc/43/00/50/1033430050.db2.gz HDPKBOWWQBHCAB-HWPZZCPQSA-O 1 0 358.821 2.779 20 5 FFBDRO C[NH+](C)CC[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)c1cccnc1 ZINC000830210991 1033511534 /nfs/dbraw/zinc/51/15/34/1033511534.db2.gz WRRRJPUQJUAQCH-OTWHNJEPSA-N 1 0 368.437 2.903 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)C[C@H](O)CNC(=O)OC(C)(C)C ZINC000830456880 1033622225 /nfs/dbraw/zinc/62/22/25/1033622225.db2.gz MWQPOFULZMFYPN-UKRRQHHQSA-N 1 0 367.446 2.782 20 5 FFBDRO O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)c1c2ccccc2cc2ccccc21 ZINC001219627825 1033720827 /nfs/dbraw/zinc/72/08/27/1033720827.db2.gz IYPBXZMBPDMYGO-GHTZIAJQSA-N 1 0 352.409 2.785 20 5 FFBDRO C[C@H](C[N+](C)(C)C)OC[C@H]1C[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2O1 ZINC001225107318 1034132098 /nfs/dbraw/zinc/13/20/98/1034132098.db2.gz JUAIWXYYYDHDAB-TWMKSMIVSA-N 1 0 357.515 2.512 20 5 FFBDRO COC(=O)Cc1ccc(OC2CCN(c3cc[nH+]cc3)CC2)c([N+](=O)[O-])c1 ZINC001226213761 1034575592 /nfs/dbraw/zinc/57/55/92/1034575592.db2.gz GNCOLCPAAHYBLP-UHFFFAOYSA-N 1 0 371.393 2.753 20 5 FFBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1ccc3c(c1)oc1cc(=O)ccc-1[n+]3[O-])C2 ZINC001227449081 1035557566 /nfs/dbraw/zinc/55/75/66/1035557566.db2.gz KSBCUYTZUOBMJM-YWVIFJGQSA-N 1 0 352.390 2.535 20 5 FFBDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2Oc1ccc2c(c1)oc1cc(=O)ccc-1[n+]2[O-] ZINC001227454161 1035560921 /nfs/dbraw/zinc/56/09/21/1035560921.db2.gz YFRYHZBPTBGCIR-JORQVXCQSA-N 1 0 366.417 2.640 20 5 FFBDRO CC(C)[N@@H+]1CCC[C@H](Oc2ccc3c(c2)oc2cc(=O)ccc-2[n+]3[O-])C1 ZINC001227452892 1035561417 /nfs/dbraw/zinc/56/14/17/1035561417.db2.gz SDGWGWRQYPBOFC-INIZCTEOSA-N 1 0 354.406 2.783 20 5 FFBDRO C[NH+]1CCC2(CC[C@@H](COc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])O2)CC1 ZINC001227462793 1035563110 /nfs/dbraw/zinc/56/31/10/1035563110.db2.gz KFUPLTJFIRTQEU-ZDUSSCGKSA-N 1 0 351.359 2.525 20 5 FFBDRO C[C@H](C[N+](C)(C)C)Oc1cc(Cl)ncc1I ZINC001227796404 1035740086 /nfs/dbraw/zinc/74/00/86/1035740086.db2.gz PRRJUAHTJBAJLH-MRVPVSSYSA-N 1 0 355.627 2.813 20 5 FFBDRO O=c1[nH]cnc(O[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1[N+](=O)[O-] ZINC001228141717 1035958539 /nfs/dbraw/zinc/95/85/39/1035958539.db2.gz TUWDNAIYTVLFEX-QDMKHBRRSA-N 1 0 356.382 2.665 20 5 FFBDRO C[C@@H](C[N+](C)(C)C)Oc1ncnc2ccc(I)cc21 ZINC001228395185 1036086830 /nfs/dbraw/zinc/08/68/30/1036086830.db2.gz MCBMJTKUOZELEU-JTQLQIEISA-N 1 0 372.230 2.708 20 5 FFBDRO C[N@@H+]1CCc2cc(O[C@@H](C[N+](=O)[O-])c3ccc4c(c3)OCO4)ccc2C1 ZINC001228945026 1036421101 /nfs/dbraw/zinc/42/11/01/1036421101.db2.gz RZKYGHHTQXDGSA-IBGZPJMESA-N 1 0 356.378 2.800 20 5 FFBDRO C[C@@H](C[NH+](C)C)Oc1cc([N+](=O)[O-])ccc1I ZINC001229835721 1036925141 /nfs/dbraw/zinc/92/51/41/1036925141.db2.gz LVZRVWALIORMIU-QMMMGPOBSA-N 1 0 350.156 2.528 20 5 FFBDRO COc1cc(C[NH+](C)C)cc(F)c1O[C@@H](C)Cn1c(C)ncc1[N+](=O)[O-] ZINC001234242458 1036972044 /nfs/dbraw/zinc/97/20/44/1036972044.db2.gz BNFKDGMZBQYTRC-NSHDSACASA-N 1 0 366.393 2.777 20 5 FFBDRO O=[N+]([O-])c1c[nH]cc2nc(OC3CC[NH+](CCc4ccccc4)CC3)nc1-2 ZINC001230231941 1037165496 /nfs/dbraw/zinc/16/54/96/1037165496.db2.gz XOJYBBGKXFTQSQ-UHFFFAOYSA-N 1 0 367.409 2.952 20 5 FFBDRO C[C@H](C[N+](C)(C)C)Oc1cc2c(cc1O)CC(=O)COc1cc(O)ccc1-2 ZINC001234810034 1037187343 /nfs/dbraw/zinc/18/73/43/1037187343.db2.gz GIKSCGMTBJCFLA-CYBMUJFWSA-O 1 0 372.441 2.742 20 5 FFBDRO O=[N+]([O-])c1cc(Br)cc(O)c1O[C@@H]1CCc2nccn2C1 ZINC001234878455 1037220183 /nfs/dbraw/zinc/22/01/83/1037220183.db2.gz VODOGDPKDSLHPL-SECBINFHSA-N 1 0 354.160 2.653 20 5 FFBDRO COc1cc(N2CCC([N@@H+]3C[C@H](CO)CC[C@H]3C)CC2)ccc1[N+](=O)[O-] ZINC001256092909 1038377033 /nfs/dbraw/zinc/37/70/33/1038377033.db2.gz AYVRLHZUKFRARH-HUUCEWRRSA-N 1 0 363.458 2.665 20 5 FFBDRO COc1cc(N2CCC([NH2+]C[C@H]3CCCC[C@H]3O)CC2)ccc1[N+](=O)[O-] ZINC001256092763 1038377695 /nfs/dbraw/zinc/37/76/95/1038377695.db2.gz ZDUAGDJTERLQRP-RDTXWAMCSA-N 1 0 363.458 2.713 20 5 FFBDRO COc1cc(N2CCC([N@@H+]3CCC[C@H](O)[C@@H](C)C3)CC2)ccc1[N+](=O)[O-] ZINC001256093263 1038379416 /nfs/dbraw/zinc/37/94/16/1038379416.db2.gz JAFGXVLEWZGMHG-KSSFIOAISA-N 1 0 363.458 2.665 20 5 FFBDRO COc1cc(N2CCC([N@@H+]3CC[C@]4(CCCO4)C3)CC2)ccc1[N+](=O)[O-] ZINC001256093554 1038379900 /nfs/dbraw/zinc/37/99/00/1038379900.db2.gz NKITWMIHABUWSX-LJQANCHMSA-N 1 0 361.442 2.827 20 5 FFBDRO COc1cc(N2CCC([NH+]3CCC4(COC4)CC3)CC2)ccc1[N+](=O)[O-] ZINC001256093675 1038380329 /nfs/dbraw/zinc/38/03/29/1038380329.db2.gz DTTPJKHEXUSQHS-UHFFFAOYSA-N 1 0 361.442 2.685 20 5 FFBDRO COc1cc(N2CCC([N@@H+]3CC[C@@]4(CC[NH+](C)C4)C3)CC2)ccc1[N+](=O)[O-] ZINC001256101474 1038386655 /nfs/dbraw/zinc/38/66/55/1038386655.db2.gz JTUJNEQQVTXINC-HXUWFJFHSA-N 1 0 374.485 2.600 20 5 FFBDRO COc1cc(N2CCC([NH2+][C@H](CCO)C(C)C)CC2)ccc1[N+](=O)[O-] ZINC001256101744 1038386878 /nfs/dbraw/zinc/38/68/78/1038386878.db2.gz PGIYGDVDKDGGOX-MRXNPFEDSA-N 1 0 351.447 2.569 20 5 FFBDRO CCN1CC[N@@H+](C2CCN(c3ccc([N+](=O)[O-])c(OC)c3)CC2)[C@H](C)C1 ZINC001256102770 1038387082 /nfs/dbraw/zinc/38/70/82/1038387082.db2.gz HURGNYPFEXTUGO-OAHLLOKOSA-N 1 0 362.474 2.598 20 5 FFBDRO C[C@@H]1C[N@@H+](CCc2nnc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C[C@H](C)O1 ZINC001258146637 1039225590 /nfs/dbraw/zinc/22/55/90/1039225590.db2.gz QAMRUINBCSQSKN-PHIMTYICSA-N 1 0 366.805 2.950 20 5 FFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC001246201225 1039277566 /nfs/dbraw/zinc/27/75/66/1039277566.db2.gz HWHISCDSLWJCBJ-PBHICJAKSA-N 1 0 365.474 2.955 20 5 FFBDRO C[C@@H]1C[NH2+]C[C@H](C)N1C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001246584583 1039406102 /nfs/dbraw/zinc/40/61/02/1039406102.db2.gz AZWSMDGDQLVHAH-TXEJJXNPSA-N 1 0 354.401 2.524 20 5 FFBDRO CC[NH+](CC)[C@H](CNS(=O)(=O)c1c(C)cccc1[N+](=O)[O-])CC(C)C ZINC001210851171 1039775418 /nfs/dbraw/zinc/77/54/18/1039775418.db2.gz KOJOADMFVKFGRC-HNNXBMFYSA-N 1 0 371.503 2.938 20 5 FFBDRO CCOC(=O)c1cc(Nc2cnc3c(c2)C[N@@H+](C)CC3)cc([N+](=O)[O-])c1 ZINC001211367483 1040107706 /nfs/dbraw/zinc/10/77/06/1040107706.db2.gz MMNQVUFOGHYHTR-UHFFFAOYSA-N 1 0 356.382 2.898 20 5 FFBDRO Cc1ccc(S(=O)(=O)N(C)CCCC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC001213519600 1040633741 /nfs/dbraw/zinc/63/37/41/1040633741.db2.gz NFLCLKCSKDJCNN-UHFFFAOYSA-N 1 0 369.487 2.790 20 5 FFBDRO CN(C)c1cccc(-c2noc(C[C@@H]([NH3+])c3ccccc3[N+](=O)[O-])n2)c1 ZINC001249342718 1040692455 /nfs/dbraw/zinc/69/24/55/1040692455.db2.gz RVCZRMVZCWXQQF-OAHLLOKOSA-N 1 0 353.382 2.953 20 5 FFBDRO N=c1sc2c(n1C1CCN(c3ccc([N+](=O)[O-])cc3)CC1)CC[C@H]([NH3+])C2 ZINC001254465935 1040733872 /nfs/dbraw/zinc/73/38/72/1040733872.db2.gz PNEFHTBUYVQDBW-LBPRGKRZSA-N 1 0 373.482 2.595 20 5 FFBDRO CCOc1nccc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC001254470947 1040737093 /nfs/dbraw/zinc/73/70/93/1040737093.db2.gz XTAQLUPUERSUJO-UHFFFAOYSA-N 1 0 357.414 2.542 20 5 FFBDRO CC(C)Oc1nccc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC001254469902 1040737457 /nfs/dbraw/zinc/73/74/57/1040737457.db2.gz BQWRVCKALUPYAS-UHFFFAOYSA-N 1 0 371.441 2.931 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3C[C@@H]4OCC(F)(F)[C@@H]4C3)CC2)cc1 ZINC001254473330 1040738838 /nfs/dbraw/zinc/73/88/38/1040738838.db2.gz AQJGWTNRHBYRSJ-CVEARBPZSA-N 1 0 353.369 2.530 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])n1cc(C[C@@H]([NH3+])C(N)=O)c2ccccc21 ZINC001254537389 1040786649 /nfs/dbraw/zinc/78/66/49/1040786649.db2.gz DFEPEAAVIPFHPU-CXAGYDPISA-N 1 0 366.421 2.708 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCN(C(=O)C(F)(F)F)C1 ZINC001254548146 1040790138 /nfs/dbraw/zinc/79/01/38/1040790138.db2.gz KLJSTDMBLYFCGH-WCQYABFASA-N 1 0 359.348 2.669 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CO)Cc1ccc(F)cc1F ZINC001254551145 1040792671 /nfs/dbraw/zinc/79/26/71/1040792671.db2.gz YZHSJQFEXJAPBN-BLLLJJGKSA-N 1 0 350.365 2.997 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@]2(CCN2c2ncccn2)C1 ZINC001254562718 1040799697 /nfs/dbraw/zinc/79/96/97/1040799697.db2.gz SYPSZJTYARKWOI-HNAYVOBHSA-N 1 0 353.426 2.671 20 5 FFBDRO CCn1cc2c(n1)CN([C@@H](C)Cc1ccccc1[N+](=O)[O-])C[C@@H]2COC ZINC001254563398 1040802164 /nfs/dbraw/zinc/80/21/64/1040802164.db2.gz ZTFBPUOIJFQFPR-GOEBONIOSA-N 1 0 358.442 2.988 20 5 FFBDRO COc1cc(C)nc(O[C@H]2CC[N@@H+]([C@@H](C)Cc3ccccc3[N+](=O)[O-])C2)n1 ZINC001254568510 1040804698 /nfs/dbraw/zinc/80/46/98/1040804698.db2.gz GKHPSJPTXJXPQF-HOCLYGCPSA-N 1 0 372.425 2.786 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]C[C@@H]1OCCc3cn(CC4CC4)nc31)C2 ZINC001254572870 1040810884 /nfs/dbraw/zinc/81/08/84/1040810884.db2.gz UGGTWUVMROGAKA-MJGOQNOKSA-N 1 0 368.437 2.572 20 5 FFBDRO COC(=O)c1ccc2c(c1)[C@H]([NH2+][C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)CCO2 ZINC001254589789 1040820290 /nfs/dbraw/zinc/82/02/90/1040820290.db2.gz RBRLUXIBMLNEKK-CRAIPNDOSA-N 1 0 368.389 2.962 20 5 FFBDRO Cc1cccnc1N1CCC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254597412 1040826954 /nfs/dbraw/zinc/82/69/54/1040826954.db2.gz DGZZNVPALZPWRN-LJQANCHMSA-N 1 0 352.438 2.978 20 5 FFBDRO C[N@H+]([C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254611738 1040842248 /nfs/dbraw/zinc/84/22/48/1040842248.db2.gz SDHIHPKQAOVXAL-WNRNVDISSA-N 1 0 373.453 2.859 20 5 FFBDRO CCn1c(-c2cccc([N+](=O)[O-])c2C)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001263023726 1042041909 /nfs/dbraw/zinc/04/19/09/1042041909.db2.gz GTIAAPMKQZRKAK-UHFFFAOYSA-N 1 0 370.457 2.856 20 5 FFBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCCC12CC[NH2+]CC2 ZINC001263084076 1042093696 /nfs/dbraw/zinc/09/36/96/1042093696.db2.gz ITJHRLQPFIYPQL-KRWDZBQOSA-N 1 0 361.442 2.650 20 5 FFBDRO [NH3+]CCN(CC(F)(F)F)C(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC001263180993 1042153308 /nfs/dbraw/zinc/15/33/08/1042153308.db2.gz ZRMVUOIPNNSCNQ-UHFFFAOYSA-N 1 0 353.728 2.530 20 5 FFBDRO CCN(C(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC001263324684 1042241110 /nfs/dbraw/zinc/24/11/10/1042241110.db2.gz ZNDWCZBOXVMQHR-NSHDSACASA-N 1 0 355.822 2.616 20 5 FFBDRO CC[N@@H+]1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)[C@H](C)C1 ZINC001310159359 1043645519 /nfs/dbraw/zinc/64/55/19/1043645519.db2.gz HLVZZYZFWHSXCH-SNVBAGLBSA-N 1 0 358.345 2.754 20 5 FFBDRO COC(=O)N1CCCN(Cc2cc([N+](=O)[O-])ccc2OC(C)C)CC1 ZINC001318549356 1044742154 /nfs/dbraw/zinc/74/21/54/1044742154.db2.gz FQWDSXHSSJFFII-UHFFFAOYSA-N 1 0 351.403 2.656 20 5 FFBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001318839154 1044904386 /nfs/dbraw/zinc/90/43/86/1044904386.db2.gz UVUHAEKOLNFHOV-KFWWJZLASA-N 1 0 360.458 2.986 20 5 FFBDRO CC(C)(C)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC001319018248 1044984866 /nfs/dbraw/zinc/98/48/66/1044984866.db2.gz UEWXSJSTDIVLTA-UHFFFAOYSA-N 1 0 370.247 2.914 20 5 FFBDRO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001318425273 1045297580 /nfs/dbraw/zinc/29/75/80/1045297580.db2.gz GWQJKFCHUDLEPA-DLBZAZTESA-N 1 0 374.485 2.800 20 5 FFBDRO Cc1noc([C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C(C)C)n1 ZINC001474762063 1045786745 /nfs/dbraw/zinc/78/67/45/1045786745.db2.gz OQKBQUIHFGUZHO-INIZCTEOSA-N 1 0 360.418 2.637 20 5 FFBDRO CC[C@@H]1C[N@H+](CC)CCN1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC001325525619 1046540084 /nfs/dbraw/zinc/54/00/84/1046540084.db2.gz JFXMDOWZYGPKRY-CYBMUJFWSA-N 1 0 354.838 2.603 20 5 FFBDRO CC1CC[NH+](CCc2nnc(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)o2)CC1 ZINC001326079094 1046757101 /nfs/dbraw/zinc/75/71/01/1046757101.db2.gz BUKZGBBASFVIFY-UHFFFAOYSA-N 1 0 361.358 2.827 20 5 FFBDRO CCOC(=O)C[C@@H]1CCC[N@@H+]1Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC001326795207 1047090649 /nfs/dbraw/zinc/09/06/49/1047090649.db2.gz APMUVYGYPMPKCF-HNNXBMFYSA-N 1 0 358.398 2.833 20 5 FFBDRO CCN1CC[NH+](C[C@H](C)CNc2ncc([N+](=O)[O-])c3ccccc32)CC1 ZINC001331535494 1047989513 /nfs/dbraw/zinc/98/95/13/1047989513.db2.gz GWATXKDHEQRAOB-OAHLLOKOSA-N 1 0 357.458 2.829 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]Cc2cccc(Cl)c2F)c1 ZINC001331960235 1048187588 /nfs/dbraw/zinc/18/75/88/1048187588.db2.gz RRMMESAGJSSZEP-CYBMUJFWSA-N 1 0 354.765 2.917 20 5 FFBDRO COC1CC[NH+](C(C)(C)CNC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)CC1 ZINC001333502496 1048945047 /nfs/dbraw/zinc/94/50/47/1048945047.db2.gz NILIDUWNMWHLMM-UHFFFAOYSA-N 1 0 368.409 2.745 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)ccc1CNC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001333680209 1049050187 /nfs/dbraw/zinc/05/01/87/1049050187.db2.gz NDXYMZZMPGJMQL-MRXNPFEDSA-N 1 0 353.850 2.981 20 5 FFBDRO O=C(CC[C@@H]1CCC[NH2+]1)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC001330960990 1049413037 /nfs/dbraw/zinc/41/30/37/1049413037.db2.gz LPPOPXNXDNWISF-LBPRGKRZSA-N 1 0 356.220 2.506 20 5 FFBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC001334668589 1049515830 /nfs/dbraw/zinc/51/58/30/1049515830.db2.gz JSQWUFLCXQWTNR-FOIQADDNSA-N 1 0 372.469 2.785 20 5 FFBDRO O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC[C@@]12CC[NH2+]C2 ZINC001341609647 1050235421 /nfs/dbraw/zinc/23/54/21/1050235421.db2.gz NOWNFTLLRXSIBT-KRWDZBQOSA-N 1 0 358.423 2.686 20 5 FFBDRO O=C(Cc1ccccc1[N+](=O)[O-])N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC001342231446 1050821189 /nfs/dbraw/zinc/82/11/89/1050821189.db2.gz GKEDUZAVSIAEFB-OXQOHEQNSA-N 1 0 367.405 2.509 20 5 FFBDRO O=C(N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001340701331 1051064560 /nfs/dbraw/zinc/06/45/60/1051064560.db2.gz GSVMNPMTOCFPRV-ZSYWTGECSA-N 1 0 351.406 2.570 20 5 FFBDRO Cc1ccc([C@H](C)NC(=O)c2cccc3c2OCC[NH2+]C3)cc1[N+](=O)[O-] ZINC001340767143 1051120419 /nfs/dbraw/zinc/12/04/19/1051120419.db2.gz KYSBKFMXYCJCBN-ZDUSSCGKSA-N 1 0 355.394 2.876 20 5 FFBDRO C[C@@H]1CN(C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)CC[N@@H+]1C1CCCC1 ZINC001303545158 1051381268 /nfs/dbraw/zinc/38/12/68/1051381268.db2.gz XYKBQGSBIQTNFM-LLVKDONJSA-N 1 0 366.849 2.919 20 5 FFBDRO C[C@@H](CNC(=O)C1(C(F)(F)F)CC[NH2+]CC1)c1ccccc1[N+](=O)[O-] ZINC001342833170 1051442050 /nfs/dbraw/zinc/44/20/50/1051442050.db2.gz QXVSMFCJUCYRCR-NSHDSACASA-N 1 0 359.348 2.747 20 5 FFBDRO CC(C)Cn1c(C[N+](=O)[O-])nnc1N1CCC(C)([NH+]2CCCCC2)CC1 ZINC001342895980 1051506686 /nfs/dbraw/zinc/50/66/86/1051506686.db2.gz VYVKLORUQGQBRL-UHFFFAOYSA-N 1 0 364.494 2.556 20 5 FFBDRO C[NH+](C)C1(CNc2ncnc3c(Cl)cc([N+](=O)[O-])cc23)CCOCC1 ZINC001343096432 1051713367 /nfs/dbraw/zinc/71/33/67/1051713367.db2.gz LAACWZUWYZDECK-UHFFFAOYSA-N 1 0 365.821 2.714 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1C[C@@H](C[C@@H]2COCC[NH2+]2)c2ccccc21 ZINC001341360665 1051719340 /nfs/dbraw/zinc/71/93/40/1051719340.db2.gz QFMZDLFFTSYLGQ-HZPDHXFCSA-N 1 0 367.405 2.717 20 5 FFBDRO C[C@H]1CN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC[C@H]1C[NH3+] ZINC001345009147 1052196441 /nfs/dbraw/zinc/19/64/41/1052196441.db2.gz CMLABELJLKYRHX-HOTGVXAUSA-N 1 0 363.461 2.598 20 5 FFBDRO CC[C@H](c1ccccc1)[NH+]1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC001306979637 1052230149 /nfs/dbraw/zinc/23/01/49/1052230149.db2.gz YJXHWPWUOSGKLG-GOSISDBHSA-N 1 0 368.437 2.967 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CC[C@H](O)[C@@H]4CCCC[C@@H]43)n2)cc1 ZINC001308025786 1052386527 /nfs/dbraw/zinc/38/65/27/1052386527.db2.gz RDBQAIUMVZKSNR-PMPSAXMXSA-N 1 0 358.398 2.770 20 5 FFBDRO O=C(CC[NH2+][C@@H](CCO)C1CCCC1)Nc1cc([N+](=O)[O-])ccc1F ZINC001308108175 1052408236 /nfs/dbraw/zinc/40/82/36/1052408236.db2.gz BXPZBIYZNCZTLT-HNNXBMFYSA-N 1 0 353.394 2.593 20 5 FFBDRO C[C@@H]([NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)c1nccc2ccccc21 ZINC001308931350 1052521009 /nfs/dbraw/zinc/52/10/09/1052521009.db2.gz QSQSYZSZQYQTBD-CFSSXQINSA-N 1 0 367.405 2.888 20 5 FFBDRO [NH3+]Cc1ccccc1CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001346013642 1052706469 /nfs/dbraw/zinc/70/64/69/1052706469.db2.gz DTQLEUQMBYAXEN-UHFFFAOYSA-N 1 0 368.437 2.586 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]Cc2cccnc2N2CCCCC2)cc1 ZINC001346123936 1052758898 /nfs/dbraw/zinc/75/88/98/1052758898.db2.gz XNRVXCXOXAZQHB-SFHVURJKSA-N 1 0 356.426 2.803 20 5 FFBDRO C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001335339785 1053304786 /nfs/dbraw/zinc/30/47/86/1053304786.db2.gz WFICJGMJUALESS-WWGRRREGSA-N 1 0 367.446 2.910 20 5 FFBDRO COC/C(C)=C\C[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC001335786919 1053565704 /nfs/dbraw/zinc/56/57/04/1053565704.db2.gz SWYICBCMUWTPMN-NSIKDUERSA-N 1 0 359.430 2.576 20 5 FFBDRO CN1CC[NH+](CC2CCN(c3ccc(C(F)F)cc3[N+](=O)[O-])CC2)CC1 ZINC001336418423 1053981667 /nfs/dbraw/zinc/98/16/67/1053981667.db2.gz OFHXYKIRDNITQD-UHFFFAOYSA-N 1 0 368.428 2.996 20 5 FFBDRO CC(C)Cn1c([C@@H](C)[N+](=O)[O-])nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001347610073 1054153216 /nfs/dbraw/zinc/15/32/16/1054153216.db2.gz BHIVUDHBCUJJDH-CQSZACIVSA-N 1 0 352.483 2.582 20 5 FFBDRO COc1c(O)ccc(C[NH2+]CCc2nc3c(s2)CCCC3)c1[N+](=O)[O-] ZINC001336721891 1054166097 /nfs/dbraw/zinc/16/60/97/1054166097.db2.gz NJVYXPYJVZMPHQ-UHFFFAOYSA-N 1 0 363.439 2.977 20 5 FFBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)NC1(C2CC[NH2+]CC2)CC1 ZINC001336848224 1054283419 /nfs/dbraw/zinc/28/34/19/1054283419.db2.gz LRXQYOCOVMRTRZ-UHFFFAOYSA-N 1 0 352.822 2.580 20 5 FFBDRO CC(C)(C)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CC1 ZINC001337671860 1054936270 /nfs/dbraw/zinc/93/62/70/1054936270.db2.gz BNPXJCDQSWJSSJ-UHFFFAOYSA-N 1 0 360.458 2.751 20 5 FFBDRO O=C(NC1CCN(c2cc[nH+]cc2)CC1)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001337865984 1055069874 /nfs/dbraw/zinc/06/98/74/1055069874.db2.gz KGRMCTWWNJPJGZ-MOPGFXCFSA-N 1 0 366.421 2.879 20 5 FFBDRO CCC[NH+]1CCC(N(C)c2nnc(Cc3cccc([N+](=O)[O-])c3)n2C)CC1 ZINC001338138387 1055262958 /nfs/dbraw/zinc/26/29/58/1055262958.db2.gz KJYCHGVPLBIYIW-UHFFFAOYSA-N 1 0 372.473 2.625 20 5 FFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC001349915538 1055538522 /nfs/dbraw/zinc/53/85/22/1055538522.db2.gz CAJZCJCBMIJOCJ-KRWDZBQOSA-N 1 0 351.834 2.783 20 5 FFBDRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000847445705 1055791248 /nfs/dbraw/zinc/79/12/48/1055791248.db2.gz DMJNCSPGKWHZEB-WMZOPIPTSA-N 1 0 358.442 2.679 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC001352910307 1055918636 /nfs/dbraw/zinc/91/86/36/1055918636.db2.gz FQQBMTFFRFQRKW-YJBOKZPZSA-N 1 0 361.442 2.524 20 5 FFBDRO Cc1ccc(NCCCNC(=O)C23CCC[NH+](CCC2)C3)c([N+](=O)[O-])c1 ZINC001544120842 1071599430 /nfs/dbraw/zinc/59/94/30/1071599430.db2.gz IBZUCOQNUFLHOF-UHFFFAOYSA-N 1 0 360.458 2.697 20 5 FFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H](Cc1ccccc1)[NH2+]C ZINC001358171379 1056174127 /nfs/dbraw/zinc/17/41/27/1056174127.db2.gz UMGNJFFBOSAHFA-HNNXBMFYSA-N 1 0 357.410 2.554 20 5 FFBDRO C[C@H]1CC[N@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1(C)C ZINC001473365745 1056253581 /nfs/dbraw/zinc/25/35/81/1056253581.db2.gz UCFDWPHQFDSRMP-INIZCTEOSA-N 1 0 374.485 2.611 20 5 FFBDRO CCC[NH+]1CCC(N(C)c2nnc(-c3csc([N+](=O)[O-])c3)n2C)CC1 ZINC001339414361 1056429126 /nfs/dbraw/zinc/42/91/26/1056429126.db2.gz ZZHYWANEMZPBEW-UHFFFAOYSA-N 1 0 364.475 2.762 20 5 FFBDRO C[C@@H](c1nnc(N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)n1C)[N+](=O)[O-] ZINC001339541938 1056565040 /nfs/dbraw/zinc/56/50/40/1056565040.db2.gz NGULZRXXTDXTFV-GJZGRUSLSA-N 1 0 364.494 2.634 20 5 FFBDRO CC[N@@H+]1C[C@H](NC(=O)c2c(Br)cccc2[N+](=O)[O-])C(C)(C)C1 ZINC001472058974 1058335626 /nfs/dbraw/zinc/33/56/26/1058335626.db2.gz RHQWUAHBVGMCKY-LBPRGKRZSA-N 1 0 370.247 2.817 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2nnc(N3CC[NH+](C4CCC4)CC3)n2CC2CC2)o1 ZINC001518300727 1058335813 /nfs/dbraw/zinc/33/58/13/1058335813.db2.gz SFLJAOKFMOMXQQ-UHFFFAOYSA-N 1 0 372.429 2.531 20 5 FFBDRO C[C@H](COC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)[NH+]1CCCCC1 ZINC000847961162 1058524171 /nfs/dbraw/zinc/52/41/71/1058524171.db2.gz SWFQBQGMRSPILX-CQSZACIVSA-N 1 0 358.398 2.812 20 5 FFBDRO CCC1([NH2+]CC2CCCCCC2)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001502494316 1058861454 /nfs/dbraw/zinc/86/14/54/1058861454.db2.gz CXEWLFOBPXBAPE-IAGOWNOFSA-N 1 0 351.491 2.983 20 5 FFBDRO O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001454574222 1059568529 /nfs/dbraw/zinc/56/85/29/1059568529.db2.gz APJLSOSLIMKWCJ-CQSZACIVSA-N 1 0 359.813 2.905 20 5 FFBDRO O=C(NC1CC[NH+](CC2CC2)CC1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848581898 1060309576 /nfs/dbraw/zinc/30/95/76/1060309576.db2.gz ZNWPZIGOJQBNJJ-UHFFFAOYSA-N 1 0 369.368 2.557 20 5 FFBDRO CC1(C)CCN(C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)CC(C)(C)[NH2+]1 ZINC001457296712 1060337502 /nfs/dbraw/zinc/33/75/02/1060337502.db2.gz GUVCDFGFMJIXDB-UHFFFAOYSA-N 1 0 354.838 2.823 20 5 FFBDRO O=C(N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc([N+](=O)[O-])cc1F ZINC001355560354 1060359660 /nfs/dbraw/zinc/35/96/60/1060359660.db2.gz XWUQNOGRGINHOR-APWZRJJASA-N 1 0 371.368 2.720 20 5 FFBDRO CCn1c([C@H]2CCC[N@H+](C)C2)nnc1N(C)CCc1ccccc1[N+](=O)[O-] ZINC001521138571 1060423944 /nfs/dbraw/zinc/42/39/44/1060423944.db2.gz MCCAWDRYWKIPFY-INIZCTEOSA-N 1 0 372.473 2.694 20 5 FFBDRO CC(C)(O)C[N@@H+]1CC[C@H](Nc2cccc(Br)c2[N+](=O)[O-])C1 ZINC001458528599 1060613334 /nfs/dbraw/zinc/61/33/34/1060613334.db2.gz MCDRPOGIYUJCPH-JTQLQIEISA-N 1 0 358.236 2.614 20 5 FFBDRO O=[N+]([O-])c1cnc2ccc(Cl)cc2c1N1CC([NH2+]C2CCOCC2)C1 ZINC001458599883 1060632537 /nfs/dbraw/zinc/63/25/37/1060632537.db2.gz YTFSDXACPNMXTA-UHFFFAOYSA-N 1 0 362.817 2.754 20 5 FFBDRO Cc1csc(C[C@@H]2CCC[N@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)n1 ZINC001460796719 1061106411 /nfs/dbraw/zinc/10/64/11/1061106411.db2.gz UEEPBGYZGMHUBK-ZDUSSCGKSA-N 1 0 374.466 2.913 20 5 FFBDRO O=C1[C@H]([N@@H+]2CCCC[C@@H]([C@H]3CCOC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC001460925362 1061152870 /nfs/dbraw/zinc/15/28/70/1061152870.db2.gz SUKCCOSTYJWICJ-JTDSTZFVSA-N 1 0 373.453 2.839 20 5 FFBDRO C[N@H+](CCNC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC001526656348 1061206492 /nfs/dbraw/zinc/20/64/92/1061206492.db2.gz PZENGRXWGLQVCU-MOPGFXCFSA-N 1 0 353.422 2.947 20 5 FFBDRO Cc1cc(NC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)cc([N+](=O)[O-])c1 ZINC001526958099 1061338994 /nfs/dbraw/zinc/33/89/94/1061338994.db2.gz VSDSLAXDIYPGOS-CQSZACIVSA-N 1 0 362.430 2.526 20 5 FFBDRO C[C@H]([NH2+][C@@H]1COCCN(C(=O)OC(C)(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC001462577871 1061679211 /nfs/dbraw/zinc/67/92/11/1061679211.db2.gz JDBBVLFKINWVBW-ZFWWWQNUSA-N 1 0 365.430 2.881 20 5 FFBDRO O=C(NCc1cccc2c1CC[NH2+]C2)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001522264866 1061833522 /nfs/dbraw/zinc/83/35/22/1061833522.db2.gz LWGVCVCJLQZJSE-MOPGFXCFSA-N 1 0 351.406 2.660 20 5 FFBDRO O=C(Oc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001528364761 1061879578 /nfs/dbraw/zinc/87/95/78/1061879578.db2.gz ODYLSMDVPIEMTC-CQSZACIVSA-N 1 0 371.349 2.931 20 5 FFBDRO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1C)CC(C)C ZINC001463307986 1062042868 /nfs/dbraw/zinc/04/28/68/1062042868.db2.gz KZGOLOOGRARGRG-OAHLLOKOSA-N 1 0 371.503 2.938 20 5 FFBDRO CSC1CCC(CNC(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)CC1 ZINC001522611385 1062223548 /nfs/dbraw/zinc/22/35/48/1062223548.db2.gz ILNWNPYTZDANLF-QOJXUVEWSA-N 1 0 351.472 2.807 20 5 FFBDRO CSC1CCC(CNC(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)CC1 ZINC001522611382 1062224876 /nfs/dbraw/zinc/22/48/76/1062224876.db2.gz ILNWNPYTZDANLF-MWHAMWOXSA-N 1 0 351.472 2.807 20 5 FFBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)C1 ZINC001523937365 1062663019 /nfs/dbraw/zinc/66/30/19/1062663019.db2.gz OAXFGAUQLKXQTO-UONOGXRCSA-N 1 0 356.426 2.933 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@H+](C)C[C@H]1CC(C)C ZINC001465160358 1062993639 /nfs/dbraw/zinc/99/36/39/1062993639.db2.gz WEHDTQCKYCSPOB-CQSZACIVSA-N 1 0 350.419 2.797 20 5 FFBDRO CC(C)[NH+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2[C@H]2C[C@H]2C)CC1 ZINC001493367443 1063144323 /nfs/dbraw/zinc/14/43/23/1063144323.db2.gz PEYORZXQKQSCSF-PBHICJAKSA-N 1 0 370.457 2.965 20 5 FFBDRO Nc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC001440672412 1063332359 /nfs/dbraw/zinc/33/23/59/1063332359.db2.gz BZSRRMSLYZWIQX-HNNXBMFYSA-N 1 0 360.439 2.805 20 5 FFBDRO Nc1c(Cl)cc(C(=O)N2CC[NH+](C3CCCCC3)CC2)cc1[N+](=O)[O-] ZINC001466283948 1063380939 /nfs/dbraw/zinc/38/09/39/1063380939.db2.gz INXYESVGDDVNSE-UHFFFAOYSA-N 1 0 366.849 2.921 20 5 FFBDRO Cc1cccc(C[N@@H+]2CC[C@@H](NC(=O)Cc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC001470711033 1064420583 /nfs/dbraw/zinc/42/05/83/1064420583.db2.gz JOWRZBRWIGQHOH-GOSISDBHSA-N 1 0 353.422 2.836 20 5 FFBDRO CC(C)(C(=O)Nc1ccnc([C@H]2CCC[NH2+]2)n1)c1ccccc1[N+](=O)[O-] ZINC001575096336 1078106098 /nfs/dbraw/zinc/10/60/98/1078106098.db2.gz ANYMOTMNPZLWNH-CYBMUJFWSA-N 1 0 355.398 2.726 20 5 FFBDRO CNc1ccc(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C(C)C)cc1[N+](=O)[O-] ZINC001472329134 1065017881 /nfs/dbraw/zinc/01/78/81/1065017881.db2.gz UGSRWNZUQPOXTF-WBVHZDCISA-N 1 0 360.458 2.971 20 5 FFBDRO CC(C)[C@@H]1C[C@@H]([NH+]2CCCC2)CN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001473877772 1065402929 /nfs/dbraw/zinc/40/29/29/1065402929.db2.gz QLPONLKIUGTSOT-QAPCUYQASA-N 1 0 360.458 2.728 20 5 FFBDRO Cc1c(C[NH2+]CCN2CCN(c3ccc(F)cc3)CC2)cccc1[N+](=O)[O-] ZINC001473928396 1065422295 /nfs/dbraw/zinc/42/22/95/1065422295.db2.gz KQPLFQIJBIWKKI-UHFFFAOYSA-N 1 0 372.444 2.954 20 5 FFBDRO CCn1cnc(Cl)c1CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001474322972 1065493501 /nfs/dbraw/zinc/49/35/01/1065493501.db2.gz ALUWVVFRJUQYEC-NSHDSACASA-N 1 0 350.810 2.546 20 5 FFBDRO CSC(C)(C)CC[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001474539874 1065547202 /nfs/dbraw/zinc/54/72/02/1065547202.db2.gz YHUOICFDGHZRQQ-UHFFFAOYSA-N 1 0 351.472 2.884 20 5 FFBDRO C[C@@H]1CC[C@@H](C[NH3+])N(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])[C@H]1C ZINC001576649920 1078256695 /nfs/dbraw/zinc/25/66/95/1078256695.db2.gz VEVACAJGKZMHSA-SCVCMEIPSA-N 1 0 357.813 2.904 20 5 FFBDRO CC[C@@H]1[C@H](C)CCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H](C)[NH3+] ZINC001577237417 1078321806 /nfs/dbraw/zinc/32/18/06/1078321806.db2.gz TXKKIEXLEBGRBN-XJKCOSOUSA-N 1 0 358.446 2.825 20 5 FFBDRO CC[NH2+]CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](C)[C@H](C)C1 ZINC001577858522 1078409031 /nfs/dbraw/zinc/40/90/31/1078409031.db2.gz XSWVEWZPUHPVGJ-HUUCEWRRSA-N 1 0 372.473 2.945 20 5 FFBDRO CC[C@H](NC(=O)[C@H]([NH3+])Cc1cccc(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC001578232790 1078453679 /nfs/dbraw/zinc/45/36/79/1078453679.db2.gz JHRZJWVLGFGKTQ-MSOLQXFVSA-N 1 0 357.410 2.741 20 5 FFBDRO C[NH2+][C@@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC2CC2)C1 ZINC001578596836 1078497660 /nfs/dbraw/zinc/49/76/60/1078497660.db2.gz RGOXJWPYZUASPR-MRXNPFEDSA-N 1 0 370.457 2.842 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(CN[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)c1 ZINC001578875165 1078537781 /nfs/dbraw/zinc/53/77/81/1078537781.db2.gz WROOYRVURWGOIJ-QZTJIDSGSA-N 1 0 369.421 2.617 20 5 FFBDRO Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC001579827641 1078692154 /nfs/dbraw/zinc/69/21/54/1078692154.db2.gz MPMMQFAFFBBGNQ-XJKSGUPXSA-N 1 0 357.414 2.515 20 5 FFBDRO [NH3+][C@H]1CC2(CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)Oc2ccccc21 ZINC001580166101 1078758993 /nfs/dbraw/zinc/75/89/93/1078758993.db2.gz NWKWBJVZJHDMOI-ZDUSSCGKSA-N 1 0 357.366 2.645 20 5 FFBDRO [NH3+][C@@H]1CCc2ncc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)cc2C1 ZINC001580209038 1078765986 /nfs/dbraw/zinc/76/59/86/1078765986.db2.gz YNDGHVYCEACNST-GFCCVEGCSA-N 1 0 352.350 2.804 20 5 FFBDRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1Br ZINC001580261742 1078777420 /nfs/dbraw/zinc/77/74/20/1078777420.db2.gz IWGSBXVHKOLOHJ-GXSJLCMTSA-N 1 0 356.220 2.605 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)n1 ZINC001556897480 1075786803 /nfs/dbraw/zinc/78/68/03/1075786803.db2.gz LYDAPZQLQGEOOV-RHSMWYFYSA-N 1 0 354.410 2.691 20 5 FFBDRO COc1c(C(=O)N[C@H]2CC[N@H+](Cc3cccc(C)c3)C2)cccc1[N+](=O)[O-] ZINC001557757257 1075884692 /nfs/dbraw/zinc/88/46/92/1075884692.db2.gz AQYOIWQJOWBDFR-INIZCTEOSA-N 1 0 369.421 2.916 20 5 FFBDRO C[N@@H+]1CC[C@H]2CN(c3c4cc([N+](=O)[O-])ccc4ncc3[N+](=O)[O-])CC[C@H]21 ZINC001559259892 1076140864 /nfs/dbraw/zinc/14/08/64/1076140864.db2.gz PXGCUOFWFBYLTH-XHDPSFHLSA-N 1 0 357.370 2.582 20 5 FFBDRO COc1ccc2ncc([N+](=O)[O-])c(N[C@H]3CCC[N@@H+]4CCSC[C@@H]34)c2c1 ZINC001559277868 1076144767 /nfs/dbraw/zinc/14/47/67/1076144767.db2.gz FTONSZGELDINQS-RDJZCZTQSA-N 1 0 374.466 2.565 20 5 FFBDRO COC(=O)COc1ccc([C@H](C)[NH2+]CCOc2ccccc2[N+](=O)[O-])cc1 ZINC001559732878 1076186449 /nfs/dbraw/zinc/18/64/49/1076186449.db2.gz VMHSSMBGTSVBKA-AWEZNQCLSA-N 1 0 374.393 2.876 20 5 FFBDRO C[NH+](C)C[C@H]1COC2(CCCC2)CN1CCOc1cccc([N+](=O)[O-])c1 ZINC001560005389 1076212196 /nfs/dbraw/zinc/21/21/96/1076212196.db2.gz JJDGAFMDWMXUHE-KRWDZBQOSA-N 1 0 363.458 2.549 20 5 FFBDRO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1CCOc1cccc([N+](=O)[O-])c1 ZINC001560005390 1076212462 /nfs/dbraw/zinc/21/24/62/1076212462.db2.gz JJDGAFMDWMXUHE-QGZVFWFLSA-N 1 0 363.458 2.549 20 5 FFBDRO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC001560053933 1076218612 /nfs/dbraw/zinc/21/86/12/1076218612.db2.gz NKHFRLCPHCXSGK-KBPBESRZSA-N 1 0 365.430 2.961 20 5 FFBDRO O=C(C[NH2+][C@H](CCO)C1CCCC1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC001560176389 1076241877 /nfs/dbraw/zinc/24/18/77/1076241877.db2.gz XCRATHUEHFOBPP-CYBMUJFWSA-N 1 0 355.822 2.718 20 5 FFBDRO COCC[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1)NC(=O)OC(C)(C)C ZINC001560283064 1076260191 /nfs/dbraw/zinc/26/01/91/1076260191.db2.gz VZWGHNCYOTVCDO-AWEZNQCLSA-N 1 0 353.419 2.614 20 5 FFBDRO O=[N+]([O-])c1cccc(Br)c1C[NH2+][C@@H]1CCc2c[nH]nc2C1 ZINC001560397784 1076270741 /nfs/dbraw/zinc/27/07/41/1076270741.db2.gz MNRINOCYIIMXOP-SNVBAGLBSA-N 1 0 351.204 2.728 20 5 FFBDRO COC[C@H](CC(C)(C)C)[NH2+]Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC001560517781 1076277368 /nfs/dbraw/zinc/27/73/68/1076277368.db2.gz WITVJAQPNJESQD-AWEZNQCLSA-N 1 0 368.430 2.687 20 5 FFBDRO O=[N+]([O-])c1cccc(Br)c1C[NH2+]C[C@@H](CO)Cc1ccoc1 ZINC001560571729 1076280704 /nfs/dbraw/zinc/28/07/04/1076280704.db2.gz FWNTXBUYMKYGAR-LBPRGKRZSA-N 1 0 369.215 2.891 20 5 FFBDRO O=C1C[C@H]([NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CN1CC1CC1 ZINC001560983007 1076316106 /nfs/dbraw/zinc/31/61/06/1076316106.db2.gz NORKUWWQBDYPMR-RYQLBKOJSA-N 1 0 357.454 2.907 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)cc2)n1 ZINC001568116871 1077072243 /nfs/dbraw/zinc/07/22/43/1077072243.db2.gz HJPQOHUHZVAWTB-MRXNPFEDSA-N 1 0 362.817 2.984 20 5 FFBDRO C[N@@H+]1CCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C[C@H]1C(C)(C)C ZINC001570914705 1077242606 /nfs/dbraw/zinc/24/26/06/1077242606.db2.gz JWABNSWNUJGRIJ-KRWDZBQOSA-N 1 0 358.442 2.738 20 5 FFBDRO C[C@@]1(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C[NH+]2CCC1CC2 ZINC001587066828 1079730178 /nfs/dbraw/zinc/73/01/78/1079730178.db2.gz CMSHPAUSXFNABG-OAHLLOKOSA-N 1 0 357.332 2.828 20 5 FFBDRO C[C@H](CNc1ccc([N+](=O)[O-])c(-c2nn[nH]n2)c1)[N@H+](C)Cc1ccccc1 ZINC001589877124 1080826001 /nfs/dbraw/zinc/82/60/01/1080826001.db2.gz MBNSDAZKQTZRHF-CYBMUJFWSA-N 1 0 367.413 2.707 20 5 FFBDRO C[C@H](Nc1ccc(-c2nn[nH]n2)c([N+](=O)[O-])c1)[C@H](c1ccccc1)[NH+](C)C ZINC001589980798 1080919844 /nfs/dbraw/zinc/91/98/44/1080919844.db2.gz FEOQNZQPSFVWAK-YVEFUNNKSA-N 1 0 367.413 2.878 20 5 FFBDRO C[C@H](Nc1cc(-c2nn[nH]n2)sc1[N+](=O)[O-])[C@@H](c1ccccc1)[NH+](C)C ZINC001589980976 1080920003 /nfs/dbraw/zinc/92/00/03/1080920003.db2.gz RUPHYPNWYXIRTA-HZMBPMFUSA-N 1 0 373.442 2.940 20 5 FFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000377088850 512118356 /nfs/dbraw/zinc/11/83/56/512118356.db2.gz AOTKPGYOCGNEIR-KSSFIOAISA-N 1 0 354.410 2.691 20 5 FFBDRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000093064857 250014696 /nfs/dbraw/zinc/01/46/96/250014696.db2.gz ZJVWFWGPXRJIOH-UHFFFAOYSA-N 1 0 358.373 2.775 20 5 FFBDRO COc1cc(C[N@@H+]2CC[C@@H](CO)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000092764795 250000437 /nfs/dbraw/zinc/00/04/37/250000437.db2.gz LSVBOGYFPZYKIF-QGZVFWFLSA-N 1 0 372.421 2.997 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](CCO)Cc1ccccc1 ZINC000103140587 250135958 /nfs/dbraw/zinc/13/59/58/250135958.db2.gz YSEAIARABHDEHT-UHFFFAOYSA-N 1 0 357.410 2.726 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)NCC[NH+]2CCCCCC2)cc1SC ZINC000103188390 250137706 /nfs/dbraw/zinc/13/77/06/250137706.db2.gz XDQWORILDRYJCB-UHFFFAOYSA-N 1 0 367.471 2.931 20 5 FFBDRO Cc1nccn1C[C@H](C)C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000105442856 250213319 /nfs/dbraw/zinc/21/33/19/250213319.db2.gz XUEJZXRMVCCASL-CQSZACIVSA-N 1 0 368.441 2.926 20 5 FFBDRO O=C(NC1CC[NH+](C2CC2)CC1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000162913494 251159185 /nfs/dbraw/zinc/15/91/85/251159185.db2.gz WVYCIGGQQRFHAV-UHFFFAOYSA-N 1 0 358.442 2.896 20 5 FFBDRO CC[C@](C)([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1nccs1 ZINC000173515724 251197326 /nfs/dbraw/zinc/19/73/26/251197326.db2.gz CFBCHQRINPLTSK-BBRMVZONSA-N 1 0 351.428 2.706 20 5 FFBDRO Cc1ccc(NC(=O)NC2CC[NH+](CCOC(C)C)CC2)cc1[N+](=O)[O-] ZINC000175555993 251227088 /nfs/dbraw/zinc/22/70/88/251227088.db2.gz UGQDWTGTWHBSKD-UHFFFAOYSA-N 1 0 364.446 2.914 20 5 FFBDRO Cc1c(Br)c(N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)ncc1[N+](=O)[O-] ZINC000252844193 251312309 /nfs/dbraw/zinc/31/23/09/251312309.db2.gz DLIUBYGRRRJULW-GARJFASQSA-N 1 0 355.236 2.624 20 5 FFBDRO CC[N@@H+]1CC[C@H](CNCc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C1 ZINC000272441804 252038940 /nfs/dbraw/zinc/03/89/40/252038940.db2.gz OPTUVVRBJAMCQN-GFCCVEGCSA-N 1 0 373.400 2.679 20 5 FFBDRO Cn1ccnc1[C@@H](NCC1([NH+](C)C)CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000272531888 252061536 /nfs/dbraw/zinc/06/15/36/252061536.db2.gz NEHUKYYPYVMNOJ-KRWDZBQOSA-N 1 0 357.458 2.882 20 5 FFBDRO C[C@@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)C1=CC[N@H+](C)CC1 ZINC000272668363 252095172 /nfs/dbraw/zinc/09/51/72/252095172.db2.gz IGPRLCWYOWBAGN-SNVBAGLBSA-N 1 0 368.231 2.738 20 5 FFBDRO C[NH+](C)C1(CNC(=O)c2cccc([N+](=O)[O-])c2Br)CCCC1 ZINC000272742204 252117205 /nfs/dbraw/zinc/11/72/05/252117205.db2.gz HSLNTUOJKYOQMB-UHFFFAOYSA-N 1 0 370.247 2.962 20 5 FFBDRO COc1ccc(NC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000272839427 252145237 /nfs/dbraw/zinc/14/52/37/252145237.db2.gz OFYRIOAQWSGLCD-CQSZACIVSA-N 1 0 350.419 2.942 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H]2CCc3c2cccc3F)cc1 ZINC000272982961 252181932 /nfs/dbraw/zinc/18/19/32/252181932.db2.gz YLHZDZKJAVBNAS-KRWDZBQOSA-N 1 0 364.398 2.785 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)cnc1NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000273067440 252207795 /nfs/dbraw/zinc/20/77/95/252207795.db2.gz FBCOBHXGVIMFAZ-OAHLLOKOSA-N 1 0 362.817 2.822 20 5 FFBDRO CCC[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC000273482894 252315049 /nfs/dbraw/zinc/31/50/49/252315049.db2.gz UWWUFEJGBOLGGE-KRWDZBQOSA-N 1 0 363.439 2.895 20 5 FFBDRO CC(C)(C(=O)N1CC[C@H](C[NH+]2CCCC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000273997916 255820211 /nfs/dbraw/zinc/82/02/11/255820211.db2.gz YXQONQGOBNMWQW-CQSZACIVSA-N 1 0 363.433 2.956 20 5 FFBDRO Cn1cc([C@H]2OCCC[C@@H]2[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)cn1 ZINC000275416301 256003249 /nfs/dbraw/zinc/00/32/49/256003249.db2.gz DJPUWVDTCYNRGQ-JKSUJKDBSA-N 1 0 350.806 2.992 20 5 FFBDRO C[NH+](C)CCc1ccccc1NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000275919139 256059140 /nfs/dbraw/zinc/05/91/40/256059140.db2.gz WPMYCCLDSJFPMJ-UHFFFAOYSA-N 1 0 361.373 2.856 20 5 FFBDRO CCN(CCC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000276269393 256085807 /nfs/dbraw/zinc/08/58/07/256085807.db2.gz SWENQJZODZJBAZ-UHFFFAOYSA-N 1 0 358.236 2.771 20 5 FFBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000285763673 257003630 /nfs/dbraw/zinc/00/36/30/257003630.db2.gz ZQFMTFAEEFNTCE-GXTWGEPZSA-N 1 0 366.849 2.745 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000278234252 256289961 /nfs/dbraw/zinc/28/99/61/256289961.db2.gz VLJAJURKCCWOGA-IAGOWNOFSA-N 1 0 374.485 2.534 20 5 FFBDRO C[NH+](C)[C@H]1CCCN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000278960343 256366724 /nfs/dbraw/zinc/36/67/24/256366724.db2.gz GNIGKHJVEDZCAR-ZDUSSCGKSA-N 1 0 374.363 2.849 20 5 FFBDRO C[C@@H](CCNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[NH+]1CCCCC1 ZINC000279018758 256372775 /nfs/dbraw/zinc/37/27/75/256372775.db2.gz IZHDEWWIYCHTPT-ZDUSSCGKSA-N 1 0 374.445 2.535 20 5 FFBDRO CCC[C@H]([NH2+]C[C@H]1CCn2ncc(C(N)=O)c2C1)c1cccc([N+](=O)[O-])c1 ZINC000280869534 256578106 /nfs/dbraw/zinc/57/81/06/256578106.db2.gz CUYFCONTZRRWJY-GUYCJALGSA-N 1 0 371.441 2.584 20 5 FFBDRO COc1ccc(NC(=O)C[N@@H+]2CCCCC[C@H]2C[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000285942685 257012579 /nfs/dbraw/zinc/01/25/79/257012579.db2.gz MFEDGTZHQDNFEK-KGLIPLIRSA-N 1 0 365.430 2.557 20 5 FFBDRO COC(=O)[C@@]1(C(F)(F)F)CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000286609066 257045468 /nfs/dbraw/zinc/04/54/68/257045468.db2.gz RMBGUHJVCARJLK-CQSZACIVSA-N 1 0 373.287 2.663 20 5 FFBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000286896227 257060655 /nfs/dbraw/zinc/06/06/55/257060655.db2.gz LLISFIILXVLSJY-CJNGLKHVSA-N 1 0 357.414 2.703 20 5 FFBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000286955460 257063846 /nfs/dbraw/zinc/06/38/46/257063846.db2.gz FRFBUMFURAMNDU-SCLBCKFNSA-N 1 0 356.426 2.704 20 5 FFBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000286998637 257066189 /nfs/dbraw/zinc/06/61/89/257066189.db2.gz QUMHQONLYIPTKT-WFASDCNBSA-N 1 0 366.849 2.745 20 5 FFBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000287222346 257078256 /nfs/dbraw/zinc/07/82/56/257078256.db2.gz QGURHYJOKBWVQF-WMLDXEAASA-N 1 0 356.426 2.635 20 5 FFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000287623138 257099154 /nfs/dbraw/zinc/09/91/54/257099154.db2.gz ZXADYMZIWGLOPK-OAHLLOKOSA-N 1 0 361.442 2.826 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC2CC[NH+](C3CCCCC3)CC2)n1 ZINC000288196434 257159067 /nfs/dbraw/zinc/15/90/67/257159067.db2.gz CGPWCIBBTAYCLC-UHFFFAOYSA-N 1 0 362.430 2.985 20 5 FFBDRO CC(=O)c1cc(N2CCC(OCC[NH+]3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000288433336 257188486 /nfs/dbraw/zinc/18/84/86/257188486.db2.gz OLKQAJGLCPGWIU-UHFFFAOYSA-N 1 0 361.442 2.879 20 5 FFBDRO Cc1cc(OCc2nc([C@H]3CN4CCCC[C@@H]4CO3)no2)ccc1[N+](=O)[O-] ZINC000289085770 257255034 /nfs/dbraw/zinc/25/50/34/257255034.db2.gz JYKZWNMZGCODIA-CZUORRHYSA-N 1 0 374.397 2.791 20 5 FFBDRO CS[C@@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C[C@@H]1[NH+](C)C ZINC000289524485 257285755 /nfs/dbraw/zinc/28/57/55/257285755.db2.gz CNSHQFBXFIOYEU-NWDGAFQWSA-N 1 0 358.851 2.758 20 5 FFBDRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293601847 257553746 /nfs/dbraw/zinc/55/37/46/257553746.db2.gz VBXMPEWWCOEUHF-UONOGXRCSA-N 1 0 357.332 2.970 20 5 FFBDRO C[C@H]([NH2+][C@@H](CN1CCOCC1)c1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293617682 257554587 /nfs/dbraw/zinc/55/45/87/257554587.db2.gz GYRPGTMXNMVDCM-KXBFYZLASA-N 1 0 370.453 2.901 20 5 FFBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C1 ZINC000294844571 257604954 /nfs/dbraw/zinc/60/49/54/257604954.db2.gz FDIZFDVOQVNQFU-OAHLLOKOSA-N 1 0 357.414 2.541 20 5 FFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCN1CCC(O)CC1 ZINC000295949845 257654017 /nfs/dbraw/zinc/65/40/17/257654017.db2.gz MBUALYVTRSOXFM-CQSZACIVSA-N 1 0 353.488 2.512 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000296262972 257688403 /nfs/dbraw/zinc/68/84/03/257688403.db2.gz OFVZXKUHFOYFDO-QGTPRVQTSA-N 1 0 359.426 2.779 20 5 FFBDRO C[N@@H+]1CCC[C@@H](N2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)C1 ZINC000301304008 258041455 /nfs/dbraw/zinc/04/14/55/258041455.db2.gz SQMASNPNQUIOJF-CQSZACIVSA-N 1 0 372.391 2.830 20 5 FFBDRO Cc1cc([N+](=O)[O-])cnc1N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000301391213 258046922 /nfs/dbraw/zinc/04/69/22/258046922.db2.gz HCIZRXSLOFDQAA-INIZCTEOSA-N 1 0 355.442 2.921 20 5 FFBDRO Cc1ccnc(NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)c1[N+](=O)[O-] ZINC000302069138 258085948 /nfs/dbraw/zinc/08/59/48/258085948.db2.gz XKQQDAAASWNQGZ-QGZVFWFLSA-N 1 0 356.426 2.867 20 5 FFBDRO Cc1nn(C)c(Nc2cccc3c2CC[N@H+](CC(C)(C)O)C3)c1[N+](=O)[O-] ZINC000302182692 258093321 /nfs/dbraw/zinc/09/33/21/258093321.db2.gz SFJKQRIPBUIPLM-UHFFFAOYSA-N 1 0 359.430 2.509 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)CCN2 ZINC000302882845 258113830 /nfs/dbraw/zinc/11/38/30/258113830.db2.gz KGOXRUGFHDRWFC-HOTGVXAUSA-N 1 0 368.437 2.610 20 5 FFBDRO COC1CC[NH+](CCNc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000301560811 258055887 /nfs/dbraw/zinc/05/58/87/258055887.db2.gz UMUMOIGSBGFVFV-UHFFFAOYSA-N 1 0 358.236 2.880 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)c2ncc([N+](=O)[O-])cc2Br)[C@@H](C)C1 ZINC000301578372 258056795 /nfs/dbraw/zinc/05/67/95/258056795.db2.gz ZLROTUNCPGZIMM-GXFFZTMASA-N 1 0 357.252 2.919 20 5 FFBDRO O=c1[nH]cnc2cc(N3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)c([N+](=O)[O-])cc21 ZINC000301795546 258067834 /nfs/dbraw/zinc/06/78/34/258067834.db2.gz SVPORBXAIBOZTG-LRDDRELGSA-N 1 0 369.425 2.697 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000330691301 258168344 /nfs/dbraw/zinc/16/83/44/258168344.db2.gz BCWRWYNUVGNVTC-DOTOQJQBSA-N 1 0 363.458 2.961 20 5 FFBDRO C[C@H]1C[C@H](NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000330836932 258171670 /nfs/dbraw/zinc/17/16/70/258171670.db2.gz TWHIDYZCBKOKAP-CMPLNLGQSA-N 1 0 357.863 2.939 20 5 FFBDRO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000331412825 258185319 /nfs/dbraw/zinc/18/53/19/258185319.db2.gz JQYGPYXMFUNZKU-HOTGVXAUSA-N 1 0 353.850 2.933 20 5 FFBDRO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000332065470 258212095 /nfs/dbraw/zinc/21/20/95/258212095.db2.gz SINFGDVXIGKJKM-YPMHNXCESA-N 1 0 370.356 2.945 20 5 FFBDRO Cc1cc(NC(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)ccc1[N+](=O)[O-] ZINC000332565599 258235514 /nfs/dbraw/zinc/23/55/14/258235514.db2.gz XAYPMCFMPURAND-WBVHZDCISA-N 1 0 362.430 2.653 20 5 FFBDRO C[C@H]1C[C@H](C)CN(c2ccc(C(=O)NCCC[NH+](C)C)cc2[N+](=O)[O-])C1 ZINC000097679576 132230452 /nfs/dbraw/zinc/23/04/52/132230452.db2.gz HAGYKTCNKZVTBE-GJZGRUSLSA-N 1 0 362.474 2.759 20 5 FFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000032399026 506247698 /nfs/dbraw/zinc/24/76/98/506247698.db2.gz RQXVPIUSHRJQAM-UHFFFAOYSA-N 1 0 353.422 2.702 20 5 FFBDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000053303785 506351437 /nfs/dbraw/zinc/35/14/37/506351437.db2.gz SPJZKVXEAVORIX-GASCZTMLSA-N 1 0 363.458 2.846 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000371068127 512203041 /nfs/dbraw/zinc/20/30/41/512203041.db2.gz ZABQEUZKQRCXBD-MRXNPFEDSA-N 1 0 361.442 2.980 20 5 FFBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000065892027 506387186 /nfs/dbraw/zinc/38/71/86/506387186.db2.gz XFZSNUSJUBUSDO-HUUCEWRRSA-N 1 0 358.442 2.786 20 5 FFBDRO Cc1sc(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)cc1[N+](=O)[O-] ZINC000053991064 506472951 /nfs/dbraw/zinc/47/29/51/506472951.db2.gz GIIUOOYZGAEXSE-UHFFFAOYSA-N 1 0 360.439 2.754 20 5 FFBDRO C[NH+](C)CCN(C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)c1ccccc1 ZINC000066353799 506492020 /nfs/dbraw/zinc/49/20/20/506492020.db2.gz VLWHZGLNMKYHKU-UHFFFAOYSA-N 1 0 371.393 2.574 20 5 FFBDRO C[NH+](C)[C@H](CNC(=O)NCCc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1 ZINC000054645672 506594553 /nfs/dbraw/zinc/59/45/53/506594553.db2.gz XLFLWBMCPOUXBH-GOSISDBHSA-N 1 0 374.416 2.879 20 5 FFBDRO C[NH+](C)[C@@H](CNC(=O)NCCc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1 ZINC000054645670 506594959 /nfs/dbraw/zinc/59/49/59/506594959.db2.gz XLFLWBMCPOUXBH-SFHVURJKSA-N 1 0 374.416 2.879 20 5 FFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000008122306 506623727 /nfs/dbraw/zinc/62/37/27/506623727.db2.gz PZJROTUFIPNRPC-CQSZACIVSA-N 1 0 372.450 2.819 20 5 FFBDRO CC[NH+](CC)[C@@H](CNC(=O)COc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000043276110 506726669 /nfs/dbraw/zinc/72/66/69/506726669.db2.gz HNHCHWXGGUIQML-HNNXBMFYSA-N 1 0 361.398 2.766 20 5 FFBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1ccccc1N1CCOCC1 ZINC000067386624 506856260 /nfs/dbraw/zinc/85/62/60/506856260.db2.gz XAXDSNGQFBLWOL-UHFFFAOYSA-N 1 0 371.437 2.942 20 5 FFBDRO CNC(=O)c1ccc(C[N@H+](C)CCCOc2ccc([N+](=O)[O-])cc2)cc1 ZINC000055899919 506880372 /nfs/dbraw/zinc/88/03/72/506880372.db2.gz ULUAMGXJIMDHIL-UHFFFAOYSA-N 1 0 357.410 2.855 20 5 FFBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000056067405 506923036 /nfs/dbraw/zinc/92/30/36/506923036.db2.gz MMWVVKOPOKWJSB-GASCZTMLSA-N 1 0 369.487 2.631 20 5 FFBDRO C[NH+](C)CCOc1cccc(CNC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000045814591 507026506 /nfs/dbraw/zinc/02/65/06/507026506.db2.gz YGGAPWXLSJRGHG-UHFFFAOYSA-N 1 0 358.398 2.857 20 5 FFBDRO C[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2Cl)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000371305410 512318104 /nfs/dbraw/zinc/31/81/04/512318104.db2.gz YRCVWEZLELBQDW-KDOFPFPSSA-N 1 0 366.893 2.706 20 5 FFBDRO C[N@H+](CCCNC(=O)NCc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000057005682 507144780 /nfs/dbraw/zinc/14/47/80/507144780.db2.gz HLUPPYXBJWJWRR-UHFFFAOYSA-N 1 0 356.426 2.916 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)C1CC[NH+](C)CC1 ZINC000068265746 507167028 /nfs/dbraw/zinc/16/70/28/507167028.db2.gz CNUQXVXZXADFDJ-NSHDSACASA-N 1 0 355.822 2.568 20 5 FFBDRO C[N@@H+]1CCCC12CCN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)CC2 ZINC000373425371 512324413 /nfs/dbraw/zinc/32/44/13/512324413.db2.gz CRYLZLUDYYNKBB-UHFFFAOYSA-N 1 0 364.421 2.623 20 5 FFBDRO CC(C)OCCCNC(=O)C1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000047753366 507388810 /nfs/dbraw/zinc/38/88/10/507388810.db2.gz QZFQSNQWUJXRFQ-UHFFFAOYSA-N 1 0 363.458 2.738 20 5 FFBDRO C[C@H](CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000058256560 507394614 /nfs/dbraw/zinc/39/46/14/507394614.db2.gz DZEOGBAEUHENHF-LSDHHAIUSA-N 1 0 371.441 2.631 20 5 FFBDRO O=[N+]([O-])c1cc(CN2CCC[C@H]2C[NH+]2CCCCC2)c2c(c1)COCO2 ZINC000069078309 507398571 /nfs/dbraw/zinc/39/85/71/507398571.db2.gz WXSVQEFYYHODJH-KRWDZBQOSA-N 1 0 361.442 2.912 20 5 FFBDRO C[C@@H](CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)C[NH+]1CCCC1 ZINC000047920009 507415603 /nfs/dbraw/zinc/41/56/03/507415603.db2.gz RYDQTQALDIJCMC-INIZCTEOSA-N 1 0 374.485 2.659 20 5 FFBDRO CC1CC[NH+](CCCNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000058490487 507426295 /nfs/dbraw/zinc/42/62/95/507426295.db2.gz ISWSSIYVBJRZQU-UHFFFAOYSA-N 1 0 371.441 2.632 20 5 FFBDRO CC(C)[C@H](CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000058610950 507445109 /nfs/dbraw/zinc/44/51/09/507445109.db2.gz OGLVGLGUAVWCSL-INIZCTEOSA-N 1 0 355.460 2.531 20 5 FFBDRO CCOc1ccc(NC(=O)C[N@H+](CCOC)C2CCCC2)c([N+](=O)[O-])c1 ZINC000026447323 507587005 /nfs/dbraw/zinc/58/70/05/507587005.db2.gz SRTHIJIFHFIEHF-UHFFFAOYSA-N 1 0 365.430 2.823 20 5 FFBDRO O=C(CN1CC[NH+](C2CCCC2)CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000027118312 507632377 /nfs/dbraw/zinc/63/23/77/507632377.db2.gz UEMIUBQIRWZMKJ-UHFFFAOYSA-N 1 0 366.849 2.747 20 5 FFBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000027771749 507683842 /nfs/dbraw/zinc/68/38/42/507683842.db2.gz BFYGIYAGYOXOAW-OAHLLOKOSA-N 1 0 360.458 2.799 20 5 FFBDRO C[C@@H](Nc1ccc(C(=O)NC[C@H](C)[NH+](C)C)cc1[N+](=O)[O-])c1ccccn1 ZINC000063732276 507765170 /nfs/dbraw/zinc/76/51/70/507765170.db2.gz MXQLFATVYPIDJO-UONOGXRCSA-N 1 0 371.441 2.843 20 5 FFBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000063865383 507777182 /nfs/dbraw/zinc/77/71/82/507777182.db2.gz IATKUDAOPCSLDR-INIZCTEOSA-N 1 0 374.485 2.659 20 5 FFBDRO C[N@H+](CCCNS(=O)(=O)c1ccc([N+](=O)[O-])s1)C1CCCCC1 ZINC000064245269 507787307 /nfs/dbraw/zinc/78/73/07/507787307.db2.gz RXKJQOOAHIDRMB-UHFFFAOYSA-N 1 0 361.489 2.589 20 5 FFBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](Cc3ccccn3)CC2)c([N+](=O)[O-])c1 ZINC000052407539 507808194 /nfs/dbraw/zinc/80/81/94/507808194.db2.gz HUPSTMHBLKUNHU-UHFFFAOYSA-N 1 0 357.370 2.975 20 5 FFBDRO CC[NH+](CC)CCOC1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000072931266 507874004 /nfs/dbraw/zinc/87/40/04/507874004.db2.gz AYYSZXRYIOPBAA-UHFFFAOYSA-N 1 0 364.446 2.950 20 5 FFBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)CC[NH+]1CCCC1 ZINC000089900296 507880905 /nfs/dbraw/zinc/88/09/05/507880905.db2.gz CHBCQRZTDRJDOT-LBPRGKRZSA-N 1 0 354.838 2.603 20 5 FFBDRO Cc1c[nH+]ccc1N1CCC(C(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000073100497 507893391 /nfs/dbraw/zinc/89/33/91/507893391.db2.gz AZSNHKWRPRDUSR-UHFFFAOYSA-N 1 0 354.410 2.831 20 5 FFBDRO CCC[C@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000090016970 507902518 /nfs/dbraw/zinc/90/25/18/507902518.db2.gz LERCZCKFPLJQKP-DLBZAZTESA-N 1 0 357.414 2.565 20 5 FFBDRO COc1cc(CN2CCC[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000109810193 507988756 /nfs/dbraw/zinc/98/87/56/507988756.db2.gz SXBLXRXYFZLYRY-GFCCVEGCSA-N 1 0 359.373 2.731 20 5 FFBDRO COC1CC[NH+](CCNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 ZINC000080000042 508025280 /nfs/dbraw/zinc/02/52/80/508025280.db2.gz PKHGFENJZVFHTA-UHFFFAOYSA-N 1 0 363.439 2.650 20 5 FFBDRO Cc1cc(C)cc(C2=CC[N@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)c1 ZINC000092427357 508070729 /nfs/dbraw/zinc/07/07/29/508070729.db2.gz QLEIYLLKAQLDDC-IBGZPJMESA-N 1 0 356.426 2.558 20 5 FFBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000111101059 508070770 /nfs/dbraw/zinc/07/07/70/508070770.db2.gz MCOIWNDBUSGOKV-RMKNXTFCSA-N 1 0 373.453 2.759 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000111101256 508071100 /nfs/dbraw/zinc/07/11/00/508071100.db2.gz YAYXVSHHDTXGDD-UHFFFAOYSA-N 1 0 361.442 2.668 20 5 FFBDRO CCOc1cc(NC[C@H](C)C[NH+]2CCN(CC)CC2)ccc1[N+](=O)[O-] ZINC000092612734 508086621 /nfs/dbraw/zinc/08/66/21/508086621.db2.gz UHPAJISVBKMPFO-HNNXBMFYSA-N 1 0 350.463 2.679 20 5 FFBDRO C[N@@H+]1CCC[C@H](N2CCN(c3ccc([N+](=O)[O-])c(C(F)(F)F)c3)CC2)C1 ZINC000080640993 508090962 /nfs/dbraw/zinc/09/09/62/508090962.db2.gz AMPFPOQBDYQXMC-AWEZNQCLSA-N 1 0 372.391 2.830 20 5 FFBDRO Cc1cc([N+](=O)[O-])cnc1Sc1nnc([C@@H]2CCC[NH2+]C2)n1C1CC1 ZINC000092655570 508091404 /nfs/dbraw/zinc/09/14/04/508091404.db2.gz MSRDKNXPBFJMJO-LLVKDONJSA-N 1 0 360.443 2.843 20 5 FFBDRO O=[N+]([O-])c1ccc(CS(=O)(=O)NCCCCC[NH+]2CCCCC2)cc1 ZINC000111357557 508093217 /nfs/dbraw/zinc/09/32/17/508093217.db2.gz VOGZFEFZGSLYQI-UHFFFAOYSA-N 1 0 369.487 2.670 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000080960253 508117867 /nfs/dbraw/zinc/11/78/67/508117867.db2.gz KMNMWNZZBNVSGB-AWEZNQCLSA-N 1 0 357.414 2.835 20 5 FFBDRO CC[C@H]([NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000112536976 508193743 /nfs/dbraw/zinc/19/37/43/508193743.db2.gz HSNVPEJWSFPTGS-KRWDZBQOSA-N 1 0 363.439 2.614 20 5 FFBDRO C[NH+](C)CCC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CC1 ZINC000112925321 508234012 /nfs/dbraw/zinc/23/40/12/508234012.db2.gz LAHSPWOMBQJNHY-UHFFFAOYSA-N 1 0 374.485 2.999 20 5 FFBDRO COc1ccccc1[C@@H](CNc1c([N+](=O)[O-])ncn1C)[NH+]1CCCCC1 ZINC000076871395 508259162 /nfs/dbraw/zinc/25/91/62/508259162.db2.gz WKSULHKUAOKRLW-OAHLLOKOSA-N 1 0 359.430 2.976 20 5 FFBDRO COc1cc(N2CCC([NH+]3CCN(C(C)C)CC3)CC2)ccc1[N+](=O)[O-] ZINC000114003360 508289951 /nfs/dbraw/zinc/28/99/51/508289951.db2.gz XCUMKUBUEPWBMH-UHFFFAOYSA-N 1 0 362.474 2.598 20 5 FFBDRO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000087116224 508337500 /nfs/dbraw/zinc/33/75/00/508337500.db2.gz HEJRTMZIJQEMFA-INIZCTEOSA-N 1 0 358.442 2.679 20 5 FFBDRO C[C@H](CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)[NH+]1CCC(C)CC1 ZINC000087136610 508338988 /nfs/dbraw/zinc/33/89/88/508338988.db2.gz SCWMYFGRFPVHRQ-OAHLLOKOSA-N 1 0 360.458 2.783 20 5 FFBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000115274218 508380365 /nfs/dbraw/zinc/38/03/65/508380365.db2.gz IPNVHXXLZHDRDH-NVXWUHKLSA-N 1 0 363.458 2.770 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCc3c4ccccc4[nH]c3C2)c1 ZINC000127185470 508411937 /nfs/dbraw/zinc/41/19/37/508411937.db2.gz YGMCCMNAGREFAN-OAHLLOKOSA-N 1 0 367.405 2.874 20 5 FFBDRO COc1ccc(CSCC(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000121778065 508416950 /nfs/dbraw/zinc/41/69/50/508416950.db2.gz ILDASFVZGLHBQO-GXTWGEPZSA-N 1 0 367.471 2.565 20 5 FFBDRO C[NH2+]CC1CCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000152319097 508423394 /nfs/dbraw/zinc/42/33/94/508423394.db2.gz LFKKLJHMBKTNGT-UHFFFAOYSA-N 1 0 360.439 2.790 20 5 FFBDRO Cc1ccc(C(=O)N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)cc1[N+](=O)[O-] ZINC000133626130 508426231 /nfs/dbraw/zinc/42/62/31/508426231.db2.gz CUGBOWGFRQZWKX-CALCHBBNSA-N 1 0 374.485 2.534 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N3CCC[N@H+](C)CC3)cc2[N+](=O)[O-])CC1 ZINC000127428132 508448205 /nfs/dbraw/zinc/44/82/05/508448205.db2.gz DJLYGCONXOYFHH-UHFFFAOYSA-N 1 0 360.458 2.609 20 5 FFBDRO C[NH+](C)CC[C@@H](NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)C(C)(C)C ZINC000116131082 508475940 /nfs/dbraw/zinc/47/59/40/508475940.db2.gz XSNOGFVRTGESDJ-QGZVFWFLSA-N 1 0 373.457 2.877 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000116372171 508504610 /nfs/dbraw/zinc/50/46/10/508504610.db2.gz NTQRPQZDTMWNQN-CQSZACIVSA-N 1 0 357.476 2.548 20 5 FFBDRO C[C@@H](N[C@@H](CC[NH+](C)C)C(C)(C)C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000116396638 508506587 /nfs/dbraw/zinc/50/65/87/508506587.db2.gz GNYSRCXXHFZIAQ-CJNGLKHVSA-N 1 0 350.463 2.878 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157194492 508535928 /nfs/dbraw/zinc/53/59/28/508535928.db2.gz KFGYRMMMCLYSSI-INIZCTEOSA-N 1 0 360.458 2.792 20 5 FFBDRO C[C@H](C(=O)NCc1ccc(F)cc1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153039751 508541922 /nfs/dbraw/zinc/54/19/22/508541922.db2.gz DOLLUQSICIHOIS-CYBMUJFWSA-N 1 0 357.385 2.797 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N(CC[NH+](C)C)Cc1cccc(O)c1 ZINC000157309046 508550343 /nfs/dbraw/zinc/55/03/43/508550343.db2.gz OOGAZWOQXXUALA-UHFFFAOYSA-N 1 0 357.410 2.813 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000153410594 508580975 /nfs/dbraw/zinc/58/09/75/508580975.db2.gz PGAASCZHSOQAEH-DGCLKSJQSA-N 1 0 355.822 2.568 20 5 FFBDRO CC[NH+](CC)[C@H]1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000122836951 508593944 /nfs/dbraw/zinc/59/39/44/508593944.db2.gz NHAIYDAEXPBFLY-ZDUSSCGKSA-N 1 0 370.247 2.914 20 5 FFBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000135482029 508611535 /nfs/dbraw/zinc/61/15/35/508611535.db2.gz ZXOZRWPGAOOSSK-AWEZNQCLSA-N 1 0 356.426 2.563 20 5 FFBDRO CC[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCN1CC(F)F ZINC000153634898 508612988 /nfs/dbraw/zinc/61/29/88/508612988.db2.gz QCFHETIVNBSFEC-CQSZACIVSA-N 1 0 370.400 2.585 20 5 FFBDRO O=C(C[N@@H+]1CC[C@@H](c2ccccc2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000123408351 508682258 /nfs/dbraw/zinc/68/22/58/508682258.db2.gz GJBOIUFRPABKMG-QGZVFWFLSA-N 1 0 351.406 2.973 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N(C)[C@@H]3CCC[N@H+](C)C3)cc2[N+](=O)[O-])C1 ZINC000153986325 508693064 /nfs/dbraw/zinc/69/30/64/508693064.db2.gz FNRGESWEXNJCAR-NVXWUHKLSA-N 1 0 374.485 2.997 20 5 FFBDRO CC(C)(C)[NH+]1CCC(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC1 ZINC000137110450 508737703 /nfs/dbraw/zinc/73/77/03/508737703.db2.gz BIGYAQAAWHOBKU-UHFFFAOYSA-N 1 0 371.441 2.773 20 5 FFBDRO CC[N@H+](CCO)Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000158678651 508738349 /nfs/dbraw/zinc/73/83/49/508738349.db2.gz ALXCGTQOARLAET-UHFFFAOYSA-N 1 0 360.410 2.997 20 5 FFBDRO C[C@@H]1C[C@@H](N(C)CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000123943256 508760976 /nfs/dbraw/zinc/76/09/76/508760976.db2.gz WMKQORYTWWGCSF-YPMHNXCESA-N 1 0 354.838 2.601 20 5 FFBDRO C[C@H]1C[C@H](N(C)C(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000124068520 508779100 /nfs/dbraw/zinc/77/91/00/508779100.db2.gz ABLFHMQMMMCBHJ-XJKSGUPXSA-N 1 0 371.441 2.550 20 5 FFBDRO Cn1cc([C@H](O)C[C@H]2CCC[N@@H+]2Cc2nc3cc([N+](=O)[O-])ccc3o2)cn1 ZINC000371464076 512417910 /nfs/dbraw/zinc/41/79/10/512417910.db2.gz OEDCMBAJGZXRLT-CZUORRHYSA-N 1 0 371.397 2.558 20 5 FFBDRO CN(c1ccccc1)c1ccc(C[N@H+](CCO)CCCO)cc1[N+](=O)[O-] ZINC000124422994 508829149 /nfs/dbraw/zinc/82/91/49/508829149.db2.gz UGONAHCVBJHVTP-UHFFFAOYSA-N 1 0 359.426 2.539 20 5 FFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159452223 508843916 /nfs/dbraw/zinc/84/39/16/508843916.db2.gz LBXJJXJFPFEYRV-ZETOZRRWSA-N 1 0 355.822 2.668 20 5 FFBDRO C[NH+](C)CCn1cc(NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cn1 ZINC000159477648 508847706 /nfs/dbraw/zinc/84/77/06/508847706.db2.gz GZNFLSUWAYHDTD-UHFFFAOYSA-N 1 0 372.429 2.549 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](Nc3ccccc3)C2)c1 ZINC000154864581 508871871 /nfs/dbraw/zinc/87/18/71/508871871.db2.gz ZVUUJJYWPSQMHX-MJGOQNOKSA-N 1 0 371.437 2.911 20 5 FFBDRO C[NH+](C)Cc1cccc(CNC(=O)NCCc2cccc([N+](=O)[O-])c2)c1 ZINC000159667005 508873922 /nfs/dbraw/zinc/87/39/22/508873922.db2.gz YFZQFIOJMDJZMQ-UHFFFAOYSA-N 1 0 356.426 2.698 20 5 FFBDRO COc1cc(C(=O)NCC[NH2+]C2CCCCCC2)c([N+](=O)[O-])cc1OC ZINC000159690337 508875674 /nfs/dbraw/zinc/87/56/74/508875674.db2.gz LYLKRHDDURFOLH-UHFFFAOYSA-N 1 0 365.430 2.654 20 5 FFBDRO COc1ccc(-c2ccc(C[NH2+][C@@H]3CCC(=O)N(C)C3)o2)c([N+](=O)[O-])c1 ZINC000119915876 508889672 /nfs/dbraw/zinc/88/96/72/508889672.db2.gz SANVSFPUSHGBNR-GFCCVEGCSA-N 1 0 359.382 2.574 20 5 FFBDRO COc1cc(C[N@H+](C)C[C@@H]2CCC[C@@H]2O)c([N+](=O)[O-])cc1OC(F)F ZINC000159869169 508903289 /nfs/dbraw/zinc/90/32/89/508903289.db2.gz ZSFNGCBDQBEYJN-GWCFXTLKSA-N 1 0 360.357 2.798 20 5 FFBDRO O=C1CCc2cc([N+](=O)[O-])c(N3CCC[C@@H]([NH+]4CCCC4)CC3)cc2N1 ZINC000150892633 508917145 /nfs/dbraw/zinc/91/71/45/508917145.db2.gz KYARDEWJXKFUMB-OAHLLOKOSA-N 1 0 358.442 2.934 20 5 FFBDRO O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159992134 508921741 /nfs/dbraw/zinc/92/17/41/508921741.db2.gz YBKAWLNPMHAHTC-BETUJISGSA-N 1 0 358.423 2.685 20 5 FFBDRO CC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000369473332 512426384 /nfs/dbraw/zinc/42/63/84/512426384.db2.gz WDUYUQRWUQUCBG-CQSZACIVSA-N 1 0 373.413 2.535 20 5 FFBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000160114853 508940612 /nfs/dbraw/zinc/94/06/12/508940612.db2.gz BACXZUPRHMUNMS-HNNXBMFYSA-N 1 0 367.471 2.542 20 5 FFBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000160115009 508940648 /nfs/dbraw/zinc/94/06/48/508940648.db2.gz BACXZUPRHMUNMS-OAHLLOKOSA-N 1 0 367.471 2.542 20 5 FFBDRO Cc1c(Br)cc(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000125224557 508951217 /nfs/dbraw/zinc/95/12/17/508951217.db2.gz AHNNDDWCSFRIRY-GFCCVEGCSA-N 1 0 370.247 2.832 20 5 FFBDRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000125271979 508957908 /nfs/dbraw/zinc/95/79/08/508957908.db2.gz LQPTZMHGJSUKKZ-JTQLQIEISA-N 1 0 357.332 2.828 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000120328229 508974262 /nfs/dbraw/zinc/97/42/62/508974262.db2.gz JWGUWOPUOKOALV-OAHLLOKOSA-N 1 0 364.446 2.570 20 5 FFBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000125574459 509001517 /nfs/dbraw/zinc/00/15/17/509001517.db2.gz IASBJYOYKRJEOA-YJBOKZPZSA-N 1 0 358.442 2.753 20 5 FFBDRO O=C(CN1CC[C@@H]2OCCC[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000155449937 509003895 /nfs/dbraw/zinc/00/38/95/509003895.db2.gz VNABNCUYRGPSSW-ABAIWWIYSA-N 1 0 353.806 2.688 20 5 FFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(Cn2ccnn2)CC1 ZINC000155796734 509073182 /nfs/dbraw/zinc/07/31/82/509073182.db2.gz SIKVWUQBEUWBDZ-UHFFFAOYSA-N 1 0 359.430 2.886 20 5 FFBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000120927844 509090343 /nfs/dbraw/zinc/09/03/43/509090343.db2.gz BEMANMQPGXHJIF-YGRLFVJLSA-N 1 0 370.247 2.770 20 5 FFBDRO C[NH2+]C[C@@H]1CCCN1C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000161251831 509092470 /nfs/dbraw/zinc/09/24/70/509092470.db2.gz VDXCZQABDJILRS-LBPRGKRZSA-N 1 0 374.363 2.626 20 5 FFBDRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000151920921 509111697 /nfs/dbraw/zinc/11/16/97/509111697.db2.gz LBUUUTJQIWMYKQ-QWHCGFSZSA-N 1 0 363.439 2.915 20 5 FFBDRO CCOC(=O)c1ccnc(NC2CC(C)(C)[NH2+]C(C)(C)C2)c1[N+](=O)[O-] ZINC000133261154 509139123 /nfs/dbraw/zinc/13/91/23/509139123.db2.gz BLNSUFLHFQCYML-UHFFFAOYSA-N 1 0 350.419 2.888 20 5 FFBDRO CCOC(=O)c1ccnc(NCC[N@@H+]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000133307597 509145168 /nfs/dbraw/zinc/14/51/68/509145168.db2.gz RHIAYAPWMHKQTF-UHFFFAOYSA-N 1 0 370.409 2.637 20 5 FFBDRO C[C@H](CC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[S@@](C)=O ZINC000133319890 509146865 /nfs/dbraw/zinc/14/68/65/509146865.db2.gz UBNJSEZESRBJAC-BGJPBQGDSA-N 1 0 353.469 2.965 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)cc1SC ZINC000156224353 509146991 /nfs/dbraw/zinc/14/69/91/509146991.db2.gz SGEWQCAGXJFVFI-MNOVXSKESA-N 1 0 353.444 2.525 20 5 FFBDRO C[NH+](C)[C@@]1(CNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])CCSC1 ZINC000436396588 513844755 /nfs/dbraw/zinc/84/47/55/513844755.db2.gz ZTLZCHMGSXYCBM-GFCCVEGCSA-N 1 0 350.366 2.858 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C2(Cc3ccccc3)CCCCC2)c1 ZINC000185460992 509189983 /nfs/dbraw/zinc/18/99/83/509189983.db2.gz XQUGSKYHBDBGRX-SFHVURJKSA-N 1 0 358.442 2.687 20 5 FFBDRO O=C(NCc1ccc2c(c1)C[NH2+]C2)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000188665617 509201425 /nfs/dbraw/zinc/20/14/25/509201425.db2.gz FMDSSVSNRYECIW-UHFFFAOYSA-N 1 0 366.421 2.728 20 5 FFBDRO COc1ccc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000248039351 509222899 /nfs/dbraw/zinc/22/28/99/509222899.db2.gz LRXDHDZXNHMAQX-CRAIPNDOSA-N 1 0 355.394 2.779 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000162516700 509242369 /nfs/dbraw/zinc/24/23/69/509242369.db2.gz PATSREMCBWZPNL-AWEZNQCLSA-N 1 0 362.430 2.526 20 5 FFBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)CCCNc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000248164933 509253632 /nfs/dbraw/zinc/25/36/32/509253632.db2.gz SUNBLNHTUSFDNZ-MAUKXSAKSA-N 1 0 360.458 2.730 20 5 FFBDRO Cc1c(C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000172832809 509262665 /nfs/dbraw/zinc/26/26/65/509262665.db2.gz RTPNCYUHZBEHHT-ZDUSSCGKSA-N 1 0 364.402 2.758 20 5 FFBDRO C[NH+]1CCC(CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000182574410 509312076 /nfs/dbraw/zinc/31/20/76/509312076.db2.gz AIMYGWBBUPUJKY-UHFFFAOYSA-N 1 0 357.863 2.798 20 5 FFBDRO C[C@@H](C[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1nccs1 ZINC000248439529 509319502 /nfs/dbraw/zinc/31/95/02/509319502.db2.gz CMNRERSHIQYUIH-QWHCGFSZSA-N 1 0 351.428 2.527 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H](c2ccc(Cl)cc2)C2CCC2)c1 ZINC000182601459 509326497 /nfs/dbraw/zinc/32/64/97/509326497.db2.gz WNGUTOLETWWKMJ-DLBZAZTESA-N 1 0 364.833 2.937 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N(CC[NH+](C)C)Cc1ccccn1 ZINC000163104628 509340328 /nfs/dbraw/zinc/34/03/28/509340328.db2.gz YRCRBZKEIQUJIH-UHFFFAOYSA-N 1 0 357.414 2.894 20 5 FFBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@@H](CCC(N)=O)C1 ZINC000229178672 509424278 /nfs/dbraw/zinc/42/42/78/509424278.db2.gz UACJYQOQOGUXQF-OLZOCXBDSA-N 1 0 373.413 2.683 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N3CC[C@H]([NH3+])C[C@H]3C)cc2[N+](=O)[O-])CC1 ZINC000236669262 509476816 /nfs/dbraw/zinc/47/68/16/509476816.db2.gz NUXFURVISPDGET-ZBFHGGJFSA-N 1 0 360.458 2.783 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1Cc2ccccc2C2(CC2)C1 ZINC000186159844 509552009 /nfs/dbraw/zinc/55/20/09/509552009.db2.gz IAKZODLQKASUHY-INIZCTEOSA-N 1 0 354.406 2.882 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)c1 ZINC000173374298 509559794 /nfs/dbraw/zinc/55/97/94/509559794.db2.gz RNAXOHAZHMEMKQ-IRXDYDNUSA-N 1 0 374.485 2.534 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)[C@@H](C)C1 ZINC000249030622 509575835 /nfs/dbraw/zinc/57/58/35/509575835.db2.gz LYCWYXDUBRLMPV-LSDHHAIUSA-N 1 0 369.487 2.562 20 5 FFBDRO O=C(CCc1cccc([N+](=O)[O-])c1)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000176569046 509587873 /nfs/dbraw/zinc/58/78/73/509587873.db2.gz ZOVVIOKQKZPLSN-UHFFFAOYSA-N 1 0 368.437 2.703 20 5 FFBDRO C[NH2+]C[C@@H](C)CNC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000237340655 509626089 /nfs/dbraw/zinc/62/60/89/509626089.db2.gz SKDFBBQWSMUXBS-KGLIPLIRSA-N 1 0 371.441 2.748 20 5 FFBDRO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000237470991 509655315 /nfs/dbraw/zinc/65/53/15/509655315.db2.gz CANFVVRWLBRFFU-PWSUYJOCSA-N 1 0 374.363 2.754 20 5 FFBDRO COC(=O)C[C@H]1CCC[N@@H+]1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000179887391 509660552 /nfs/dbraw/zinc/66/05/52/509660552.db2.gz URLHYLKECNVCJA-MRXNPFEDSA-N 1 0 358.398 2.523 20 5 FFBDRO CN1CCN(C)[C@H](C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000264738026 509675094 /nfs/dbraw/zinc/67/50/94/509675094.db2.gz JMWPLJDMFLKONU-CQSZACIVSA-N 1 0 360.483 2.659 20 5 FFBDRO C[C@H](C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)[C@H]([NH3+])c1ccccc1 ZINC000237560337 509676883 /nfs/dbraw/zinc/67/68/83/509676883.db2.gz YAEUOABOHWLNBZ-KXBFYZLASA-N 1 0 368.437 2.580 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]CCCN2CCOCC2)c2ccccc2)c1 ZINC000179964883 509691163 /nfs/dbraw/zinc/69/11/63/509691163.db2.gz HEDCJZZQQHULBY-HXUWFJFHSA-N 1 0 355.438 2.996 20 5 FFBDRO O=C1CCc2cc([N+](=O)[O-])c(N3CCC(C[NH+]4CCCC4)CC3)cc2N1 ZINC000170639675 509691358 /nfs/dbraw/zinc/69/13/58/509691358.db2.gz PPWKUSLREDJMSR-UHFFFAOYSA-N 1 0 358.442 2.792 20 5 FFBDRO O=C(c1cc(N2CC[NH+](C3CCC3)CC2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000264902732 509766018 /nfs/dbraw/zinc/76/60/18/509766018.db2.gz BYDFJAQWUZSGBF-UHFFFAOYSA-N 1 0 358.442 2.505 20 5 FFBDRO Cc1c([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cnn1C ZINC000183435139 509788158 /nfs/dbraw/zinc/78/81/58/509788158.db2.gz WAEKGDLYBOTZQN-UWVGGRQHSA-N 1 0 365.821 2.968 20 5 FFBDRO CCC1(CC)[C@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1OC ZINC000186608764 509800414 /nfs/dbraw/zinc/80/04/14/509800414.db2.gz SZNVJRYFVMMFTN-CVEARBPZSA-N 1 0 370.471 2.552 20 5 FFBDRO O=[N+]([O-])c1ccccc1-c1ccc(CNC[C@H](O)C[NH+]2CCCC2)s1 ZINC000238067188 509813319 /nfs/dbraw/zinc/81/33/19/509813319.db2.gz JBEQKLSDHNTODA-AWEZNQCLSA-N 1 0 361.467 2.870 20 5 FFBDRO C[C@@H](CCNC(=O)c1cccc([N+](=O)[O-])c1N)[N@H+](C)Cc1ccccc1 ZINC000177023669 509824614 /nfs/dbraw/zinc/82/46/14/509824614.db2.gz GJWWSKOHIABTSF-AWEZNQCLSA-N 1 0 356.426 2.817 20 5 FFBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[NH+](C2CCC2)CC1 ZINC000265103298 509863453 /nfs/dbraw/zinc/86/34/53/509863453.db2.gz FNLYNBZDCGZNAE-CYBMUJFWSA-N 1 0 357.414 2.876 20 5 FFBDRO C[C@@H]1C[C@@H](NC(=O)Nc2ccncc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000183585838 509872776 /nfs/dbraw/zinc/87/27/76/509872776.db2.gz GBURDIOQKXCHKJ-UKRRQHHQSA-N 1 0 355.398 2.774 20 5 FFBDRO CCOC1CC(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)(N2CCOCC2)C1 ZINC000193404036 509901007 /nfs/dbraw/zinc/90/10/07/509901007.db2.gz ZOUMBMIRADHWSP-MNNVXMFVSA-N 1 0 363.458 2.515 20 5 FFBDRO COCCC[NH+]1CCC(NC(=O)c2cc(SC)ccc2[N+](=O)[O-])CC1 ZINC000171125143 509956564 /nfs/dbraw/zinc/95/65/64/509956564.db2.gz UMEPLAJCKREVEF-UHFFFAOYSA-N 1 0 367.471 2.547 20 5 FFBDRO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN([C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)CC2 ZINC000245483682 509962024 /nfs/dbraw/zinc/96/20/24/509962024.db2.gz FYNMVUBPWWHCEZ-LESCRADOSA-N 1 0 360.458 2.869 20 5 FFBDRO CC[NH+](CC)[C@H](C)CNC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000180527628 509967961 /nfs/dbraw/zinc/96/79/61/509967961.db2.gz MPKIOYHXIJKXNY-SNVBAGLBSA-N 1 0 358.236 2.817 20 5 FFBDRO CCOc1cc(C(=O)N2CC[C@H]([NH+](CC)CC)C2)c([N+](=O)[O-])cc1OC ZINC000174150413 509971622 /nfs/dbraw/zinc/97/16/22/509971622.db2.gz HZRSKKCRCGJMOS-ZDUSSCGKSA-N 1 0 365.430 2.558 20 5 FFBDRO C[C@@H](C(=O)N1CCCCC1)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174245426 510022413 /nfs/dbraw/zinc/02/24/13/510022413.db2.gz NTBPRFAUGHPNLM-HNNXBMFYSA-N 1 0 361.442 2.839 20 5 FFBDRO C[NH2+][C@@H]1CCCN(C(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC000261687192 510026311 /nfs/dbraw/zinc/02/63/11/510026311.db2.gz HYZATVRASWRPNW-GOEBONIOSA-N 1 0 360.458 2.655 20 5 FFBDRO COc1ccc(CSCc2nc(C3([NH3+])CCC3)no2)cc1[N+](=O)[O-] ZINC000261802300 510070068 /nfs/dbraw/zinc/07/00/68/510070068.db2.gz PGCOTJAODDPCIL-UHFFFAOYSA-N 1 0 350.400 2.758 20 5 FFBDRO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000245675454 510077404 /nfs/dbraw/zinc/07/74/04/510077404.db2.gz HCPPXYHMOGMXAA-QMTHXVAHSA-N 1 0 370.247 2.816 20 5 FFBDRO Nc1c(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc(F)cc1[N+](=O)[O-] ZINC000193822823 510086798 /nfs/dbraw/zinc/08/67/98/510086798.db2.gz YYNDCTFQGIGAHW-UHFFFAOYSA-N 1 0 372.400 2.842 20 5 FFBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261884669 510101353 /nfs/dbraw/zinc/10/13/53/510101353.db2.gz YXNNTHLWLVRLCL-OIISXLGYSA-N 1 0 368.437 2.596 20 5 FFBDRO C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(-c2ccncc2)cc1 ZINC000180931352 510189970 /nfs/dbraw/zinc/18/99/70/510189970.db2.gz MWLUGXPJWGEDMK-IFXJQAMLSA-N 1 0 367.409 2.565 20 5 FFBDRO C[N@H+](CC1(O)CCCCCC1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000187334798 510203842 /nfs/dbraw/zinc/20/38/42/510203842.db2.gz GMBOROZRGHIBRZ-KRWDZBQOSA-N 1 0 361.442 2.717 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CC(C)(C)OC(C)(C)C1 ZINC000190569184 510213078 /nfs/dbraw/zinc/21/30/78/510213078.db2.gz WXGFHTHPDVVGDG-UHFFFAOYSA-N 1 0 365.430 2.821 20 5 FFBDRO COc1cc(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)cc([N+](=O)[O-])c1OC ZINC000265923323 510303395 /nfs/dbraw/zinc/30/33/95/510303395.db2.gz XKKZPEIWHXENRL-HNNXBMFYSA-N 1 0 367.446 2.708 20 5 FFBDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000184435954 510323759 /nfs/dbraw/zinc/32/37/59/510323759.db2.gz LWLXHEQJVJKRPU-HNNXBMFYSA-N 1 0 368.437 2.914 20 5 FFBDRO CC(C)OC(=O)C[C@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000184453417 510331697 /nfs/dbraw/zinc/33/16/97/510331697.db2.gz LOFKRJIEKNSBLV-PBHICJAKSA-N 1 0 350.415 2.682 20 5 FFBDRO CC[C@@H]([NH2+]C1CCN(S(=O)(=O)C2CC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000181274681 510332665 /nfs/dbraw/zinc/33/26/65/510332665.db2.gz UQUJOOYIFNSPMO-QGZVFWFLSA-N 1 0 367.471 2.592 20 5 FFBDRO CC[C@H]([NH2+]CCN1C(=O)c2ccccc2C1=O)c1cccc([N+](=O)[O-])c1 ZINC000177967229 510351179 /nfs/dbraw/zinc/35/11/79/510351179.db2.gz WDNYJYAKEZMUGO-KRWDZBQOSA-N 1 0 353.378 2.932 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000266009058 510356257 /nfs/dbraw/zinc/35/62/57/510356257.db2.gz RZTUZWHSDQDPKR-ABAIWWIYSA-N 1 0 364.402 2.614 20 5 FFBDRO C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1nc(-c2ccccc2)cs1 ZINC000184516681 510367835 /nfs/dbraw/zinc/36/78/35/510367835.db2.gz GEKQLJGOBBQLON-WFASDCNBSA-N 1 0 373.438 2.627 20 5 FFBDRO Cc1ccc([C@@H](C)[NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)s1 ZINC000178004437 510370007 /nfs/dbraw/zinc/37/00/07/510370007.db2.gz JEKFOXXSQCTNDJ-GFCCVEGCSA-N 1 0 369.468 2.594 20 5 FFBDRO Cc1ccc([C@H](C)NC(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)cc1[N+](=O)[O-] ZINC000262702205 510375822 /nfs/dbraw/zinc/37/58/22/510375822.db2.gz CLWINDLOGWMDOR-ZFWWWQNUSA-N 1 0 357.414 2.515 20 5 FFBDRO O=C(NCC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccccc1 ZINC000178020111 510380175 /nfs/dbraw/zinc/38/01/75/510380175.db2.gz CLOGRUQIMPWPFW-GOSISDBHSA-N 1 0 353.422 2.936 20 5 FFBDRO CCc1n[nH]c(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000171805891 510380630 /nfs/dbraw/zinc/38/06/30/510380630.db2.gz DYMHCVIVQDQURA-HNNXBMFYSA-N 1 0 371.441 2.665 20 5 FFBDRO CN(CC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1[N+](=O)[O-] ZINC000246338775 510435662 /nfs/dbraw/zinc/43/56/62/510435662.db2.gz LQQNTLQXGWRPDS-DOTOQJQBSA-N 1 0 372.469 2.506 20 5 FFBDRO O=C1OCCN1c1cc([N+](=O)[O-])ccc1N1CC[NH+](C2CCCC2)CC1 ZINC000266157601 510437816 /nfs/dbraw/zinc/43/78/16/510437816.db2.gz VQBGHJRWLAGODR-UHFFFAOYSA-N 1 0 360.414 2.616 20 5 FFBDRO COc1ccc(NC(=O)CC[NH2+][C@@H](C)c2cccc(O)c2)c([N+](=O)[O-])c1 ZINC000181521338 510451978 /nfs/dbraw/zinc/45/19/78/510451978.db2.gz OTLVPBZLNOIJQR-LBPRGKRZSA-N 1 0 359.382 2.988 20 5 FFBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2cccc(O)c2)c([N+](=O)[O-])c1 ZINC000181546167 510466369 /nfs/dbraw/zinc/46/63/69/510466369.db2.gz LCSHDGXLZCJRLR-NEPJUHHUSA-N 1 0 359.382 2.987 20 5 FFBDRO CCCC[NH+]1CCC(NS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)CC1 ZINC000175091966 510479369 /nfs/dbraw/zinc/47/93/69/510479369.db2.gz ATUKOXYHDJWIOX-UHFFFAOYSA-N 1 0 369.487 2.754 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@@H](CO)c1ccccc1 ZINC000269641271 510495215 /nfs/dbraw/zinc/49/52/15/510495215.db2.gz XTIZVEQXLPVNGK-SFHVURJKSA-N 1 0 357.410 2.897 20 5 FFBDRO O=C(CCN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000246503802 510525405 /nfs/dbraw/zinc/52/54/05/510525405.db2.gz HWCVXQRWTPCDGW-HNAYVOBHSA-N 1 0 372.469 2.872 20 5 FFBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000175202382 510529423 /nfs/dbraw/zinc/52/94/23/510529423.db2.gz UEHYBBYVWYNZHS-SFHVURJKSA-N 1 0 358.442 2.573 20 5 FFBDRO CCC[C@@]1(COC)CCC[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000194927853 510595335 /nfs/dbraw/zinc/59/53/35/510595335.db2.gz YEONQQICJSZRAO-IBGZPJMESA-N 1 0 361.442 2.765 20 5 FFBDRO CCN(CCC[NH+]1CCCC1)C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000188105994 510596277 /nfs/dbraw/zinc/59/62/77/510596277.db2.gz WVRPXUPIMRNAQK-UHFFFAOYSA-N 1 0 371.441 2.729 20 5 FFBDRO COC(=O)c1ccccc1NC(=O)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181810977 510606795 /nfs/dbraw/zinc/60/67/95/510606795.db2.gz RGAXKRISQBFFHM-CYBMUJFWSA-N 1 0 371.393 2.979 20 5 FFBDRO CCC1(CC)[C@H]([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C[C@@H]1OC ZINC000191373812 510628050 /nfs/dbraw/zinc/62/80/50/510628050.db2.gz LXIDLIDJOLOCQV-CVEARBPZSA-N 1 0 365.430 2.725 20 5 FFBDRO CCCO[C@H]1CCC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000181862874 510630831 /nfs/dbraw/zinc/63/08/31/510630831.db2.gz KMJBRXNBKHOJHO-HOTGVXAUSA-N 1 0 352.431 2.616 20 5 FFBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2cccc(C)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000246713271 510631508 /nfs/dbraw/zinc/63/15/08/510631508.db2.gz FUXHSHZKBUDKAW-DOTOQJQBSA-N 1 0 363.458 2.770 20 5 FFBDRO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000269997238 510634394 /nfs/dbraw/zinc/63/43/94/510634394.db2.gz WUDULKAMAJVHPB-NSNWQYSKSA-N 1 0 359.426 2.859 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+](Cc1cccc(O)c1)CC1CC1 ZINC000181878835 510638868 /nfs/dbraw/zinc/63/88/68/510638868.db2.gz CYSGJSHNHDAWBN-SFHVURJKSA-N 1 0 372.421 2.952 20 5 FFBDRO C[NH+]1CCC([C@@H]2CCN(C(=O)NCCc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000270059654 510656191 /nfs/dbraw/zinc/65/61/91/510656191.db2.gz GGPBITNHQJIKAR-QGZVFWFLSA-N 1 0 360.458 2.511 20 5 FFBDRO CCN(CCC[NH+](CC)CC)S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000188252698 510670155 /nfs/dbraw/zinc/67/01/55/510670155.db2.gz KAWAVOVNLCGFTP-UHFFFAOYSA-N 1 0 357.476 2.646 20 5 FFBDRO C[N@@H+](Cc1ccc(Cl)nc1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181953435 510676640 /nfs/dbraw/zinc/67/66/40/510676640.db2.gz ZCZPTRFUAJUHME-ZDUSSCGKSA-N 1 0 351.790 2.515 20 5 FFBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)CC1 ZINC000185088777 510676989 /nfs/dbraw/zinc/67/69/89/510676989.db2.gz MEWPUZMMJSBFHY-QGTPRVQTSA-N 1 0 372.469 2.640 20 5 FFBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2C[C@H]3CC[C@H]([NH3+])[C@@H]3C2)CC1 ZINC000185088796 510677828 /nfs/dbraw/zinc/67/78/28/510677828.db2.gz MEWPUZMMJSBFHY-OLMNPRSZSA-N 1 0 372.469 2.640 20 5 FFBDRO Cc1c(CC(=O)NC2CC[NH+](Cc3ccncc3)CC2)cccc1[N+](=O)[O-] ZINC000178597263 510678707 /nfs/dbraw/zinc/67/87/07/510678707.db2.gz SAPVVUIASFQCPX-UHFFFAOYSA-N 1 0 368.437 2.622 20 5 FFBDRO C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000178645659 510703098 /nfs/dbraw/zinc/70/30/98/510703098.db2.gz KRPCEEMYBNSTSG-CYBMUJFWSA-N 1 0 363.439 2.696 20 5 FFBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NC[C@@H]2CCC[NH2+]2)cc1 ZINC000178788558 510772694 /nfs/dbraw/zinc/77/26/94/510772694.db2.gz ASHFTSUHJWNHOI-ZDUSSCGKSA-N 1 0 371.393 2.878 20 5 FFBDRO CCC[N@H+](C)C[C@H]1CCN(c2c(Br)cncc2[N+](=O)[O-])C1 ZINC000270357900 510776463 /nfs/dbraw/zinc/77/64/63/510776463.db2.gz JLMMAEPZLFMTHA-LLVKDONJSA-N 1 0 357.252 2.920 20 5 FFBDRO Cc1c(Br)cc(C(=O)N2CC[C@H](C[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000178806305 510782765 /nfs/dbraw/zinc/78/27/65/510782765.db2.gz CAJFAZOUAIRVEG-LLVKDONJSA-N 1 0 370.247 2.689 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCc2[nH]c3ccccc3c2C1 ZINC000182153912 510784046 /nfs/dbraw/zinc/78/40/46/510784046.db2.gz DDSAWCRDSYRKON-AWEZNQCLSA-N 1 0 367.405 2.874 20 5 FFBDRO COc1ccccc1C(C)(C)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182152408 510784271 /nfs/dbraw/zinc/78/42/71/510784271.db2.gz SWOUXDJFIQJOAH-AWEZNQCLSA-N 1 0 360.410 2.868 20 5 FFBDRO CO[C@@H](C)[C@H](C)[NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000191704585 510793541 /nfs/dbraw/zinc/79/35/41/510793541.db2.gz SHSZARIFKBHESJ-AEJSXWLSSA-N 1 0 363.336 2.954 20 5 FFBDRO C[NH+]1CCC([C@H]2CCN(C(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)C2)CC1 ZINC000270403359 510795246 /nfs/dbraw/zinc/79/52/46/510795246.db2.gz WBFPQJWZZQCVJN-HNNXBMFYSA-N 1 0 370.453 2.809 20 5 FFBDRO Cc1ccc(C[NH2+][C@@H]2CCN(Cc3ccc(F)cc3)C2=O)cc1[N+](=O)[O-] ZINC000191759472 510817354 /nfs/dbraw/zinc/81/73/54/510817354.db2.gz QJLQDJDZYVWIJO-QGZVFWFLSA-N 1 0 357.385 2.933 20 5 FFBDRO CCCN(C(=O)c1ccc([N+](=O)[O-])cc1Br)[C@H]1CC[NH2+]C1 ZINC000178908707 510829841 /nfs/dbraw/zinc/82/98/41/510829841.db2.gz PIXRPKTUXMBUIQ-NSHDSACASA-N 1 0 356.220 2.571 20 5 FFBDRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000185441800 510845403 /nfs/dbraw/zinc/84/54/03/510845403.db2.gz RGKSHZMSYVFQRW-HNNXBMFYSA-N 1 0 371.441 2.775 20 5 FFBDRO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182296484 510845867 /nfs/dbraw/zinc/84/58/67/510845867.db2.gz QRMLLJIYZBAMSG-GOEBONIOSA-N 1 0 360.414 2.512 20 5 FFBDRO CCCO[C@H]1CCC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000247181815 510849704 /nfs/dbraw/zinc/84/97/04/510849704.db2.gz PPTVIXQMGCUHAG-SJORKVTESA-N 1 0 352.431 2.616 20 5 FFBDRO Cc1cccc([C@@H]2CCCC[N@@H+]2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1C ZINC000247204682 510851489 /nfs/dbraw/zinc/85/14/89/510851489.db2.gz CDZSQJOJSNPEKF-MJGOQNOKSA-N 1 0 358.442 2.996 20 5 FFBDRO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000247504409 510863526 /nfs/dbraw/zinc/86/35/26/510863526.db2.gz XVFITMASNUQPND-QMTHXVAHSA-N 1 0 370.247 2.816 20 5 FFBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000247781861 510870480 /nfs/dbraw/zinc/87/04/80/510870480.db2.gz XTBUISOICGAPIQ-CKEIUWERSA-N 1 0 357.414 2.701 20 5 FFBDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)C2)C1 ZINC000293913833 510897460 /nfs/dbraw/zinc/89/74/60/510897460.db2.gz HZVQOUHGRAVCQN-HXUWFJFHSA-N 1 0 372.469 2.753 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000285415687 510897700 /nfs/dbraw/zinc/89/77/00/510897700.db2.gz DIMAHPCRGTWKSC-WBVHZDCISA-N 1 0 360.458 2.790 20 5 FFBDRO CC(C)C[NH+]1CCC(NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000282368740 510948414 /nfs/dbraw/zinc/94/84/14/510948414.db2.gz IEJNKLHLORGOCI-UHFFFAOYSA-N 1 0 362.474 2.899 20 5 FFBDRO C[S@@](=O)C1(C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000282391775 510958351 /nfs/dbraw/zinc/95/83/51/510958351.db2.gz PAJHCBBEJACLJJ-HSZRJFAPSA-N 1 0 351.453 2.719 20 5 FFBDRO O=C(CC[N@@H+]1CC[C@@H](C2CCOCC2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000364607291 510967560 /nfs/dbraw/zinc/96/75/60/510967560.db2.gz MOYPNZCCZQULQW-CQSZACIVSA-N 1 0 365.405 2.811 20 5 FFBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000279288569 511032204 /nfs/dbraw/zinc/03/22/04/511032204.db2.gz MDFOMBQMZIJHLJ-ZIAGYGMSSA-N 1 0 355.797 2.673 20 5 FFBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@@H]2O)c1 ZINC000282647680 511058591 /nfs/dbraw/zinc/05/85/91/511058591.db2.gz HOGYQJHUUKEUAO-BLLLJJGKSA-N 1 0 354.834 2.906 20 5 FFBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@@H]1CCC2(CCOCC2)[C@H]1O ZINC000282646048 511058869 /nfs/dbraw/zinc/05/88/69/511058869.db2.gz HLTPKNUUMAWRMT-LRDDRELGSA-N 1 0 354.834 2.906 20 5 FFBDRO CC[NH+](CC)[C@H](C)CNC(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000279385307 511064001 /nfs/dbraw/zinc/06/40/01/511064001.db2.gz GQWVKXJOCRFSSV-MRVPVSSYSA-N 1 0 364.265 2.879 20 5 FFBDRO O=C(CC[N@@H+]1CCC[C@@H](c2ccncn2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000361652486 511074980 /nfs/dbraw/zinc/07/49/80/511074980.db2.gz MHVUQRXZZQGWRM-CQSZACIVSA-N 1 0 355.398 2.593 20 5 FFBDRO O=C(NC1CC[NH+](C2CC2)CC1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000294485838 511080040 /nfs/dbraw/zinc/08/00/40/511080040.db2.gz PGSWBFUPEMAMOH-UHFFFAOYSA-N 1 0 357.332 2.970 20 5 FFBDRO COc1cc(C[NH2+]C[C@H](C)CCCO)c([N+](=O)[O-])cc1OCC(F)F ZINC000294794280 511179147 /nfs/dbraw/zinc/17/91/47/511179147.db2.gz MGDLWHBIJRIARA-LLVKDONJSA-N 1 0 362.373 2.746 20 5 FFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)CS(=O)(=O)CC ZINC000271416932 511196853 /nfs/dbraw/zinc/19/68/53/511196853.db2.gz AZBPPPQOLBFYBB-CHWSQXEVSA-N 1 0 360.501 2.878 20 5 FFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](CO)c1cnn(C)c1 ZINC000271426855 511200978 /nfs/dbraw/zinc/20/09/78/511200978.db2.gz CRBLUPUHXXYTOA-UONOGXRCSA-N 1 0 350.444 2.522 20 5 FFBDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000271436081 511204166 /nfs/dbraw/zinc/20/41/66/511204166.db2.gz WXYBAHYBUBQKTM-UHFFFAOYSA-N 1 0 357.414 2.697 20 5 FFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](CO)C[C@@H](O)c1ccccc1 ZINC000271532106 511236224 /nfs/dbraw/zinc/23/62/24/511236224.db2.gz RGEYPKDQGKFHQE-MOXGXCLJSA-N 1 0 358.438 2.990 20 5 FFBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000294990551 511245661 /nfs/dbraw/zinc/24/56/61/511245661.db2.gz OORAIVXAOZSGQJ-HNNXBMFYSA-N 1 0 361.442 2.748 20 5 FFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1COC2(CCCC2)O1 ZINC000271643737 511273876 /nfs/dbraw/zinc/27/38/76/511273876.db2.gz FACPQBKZWXCBRK-CJNGLKHVSA-N 1 0 363.414 2.587 20 5 FFBDRO COc1cc(C[NH2+][C@@H]2CCOC2(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000295162784 511305479 /nfs/dbraw/zinc/30/54/79/511305479.db2.gz FMDVBKHBWTYRJO-CQSZACIVSA-N 1 0 360.357 2.904 20 5 FFBDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)C1 ZINC000272226456 511471141 /nfs/dbraw/zinc/47/11/41/511471141.db2.gz JGYLYEUCMQCGFE-ZBFHGGJFSA-N 1 0 360.458 2.640 20 5 FFBDRO COc1cc(C(=O)N2CC(C)(C)[C@@H]2c2nccn2C)cc([N+](=O)[O-])c1C ZINC000295941384 511562619 /nfs/dbraw/zinc/56/26/19/511562619.db2.gz QCTNOKGQYRXHBO-HNNXBMFYSA-N 1 0 358.398 2.869 20 5 FFBDRO Cn1cc([N+](=O)[O-])c(-c2nc(-c3ccc(C[NH+]4CCCC4)cc3)no2)n1 ZINC000273714026 511584229 /nfs/dbraw/zinc/58/42/29/511584229.db2.gz LMKQGDYWFMYQKE-UHFFFAOYSA-N 1 0 354.370 2.641 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2noc(C[NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCC4)n2)cc1 ZINC000296099347 511619077 /nfs/dbraw/zinc/61/90/77/511619077.db2.gz QWUQFFCCUWQRIA-FVQBIDKESA-N 1 0 356.382 2.692 20 5 FFBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)CC[C@@H]21 ZINC000273851124 511632020 /nfs/dbraw/zinc/63/20/20/511632020.db2.gz LUCDHSZCBDYIBY-DYVFJYSZSA-N 1 0 363.433 2.954 20 5 FFBDRO C[C@H](C(=O)Nc1cccc(F)c1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365845324 511683784 /nfs/dbraw/zinc/68/37/84/511683784.db2.gz IPULAKQVOAPSGW-GFCCVEGCSA-N 1 0 361.377 2.595 20 5 FFBDRO O=C(C[N@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O)Nc1ccccc1[N+](=O)[O-] ZINC000281021869 511691426 /nfs/dbraw/zinc/69/14/26/511691426.db2.gz OLUZARIJFNLIGP-LESCRADOSA-N 1 0 361.442 2.939 20 5 FFBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCCCC[NH+](C)C ZINC000284408592 511713232 /nfs/dbraw/zinc/71/32/32/511713232.db2.gz RFFNYLCAKVGIOW-UHFFFAOYSA-N 1 0 358.236 2.737 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N(C)Cc1ccccc1S(N)(=O)=O ZINC000292870684 511752271 /nfs/dbraw/zinc/75/22/71/511752271.db2.gz XFOCYEQHYWOHRA-CYBMUJFWSA-N 1 0 363.439 2.744 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])c(-c2nc([C@H]3C[N@@H+]4CCC[C@@]4(C)CO3)no2)c1 ZINC000350338569 511782191 /nfs/dbraw/zinc/78/21/91/511782191.db2.gz JQMHROLUCRMZET-QAPCUYQASA-N 1 0 374.397 2.969 20 5 FFBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@H](O)COc2ccccc2Cl)cc1 ZINC000324775331 511840311 /nfs/dbraw/zinc/84/03/11/511840311.db2.gz FPHNVCRCJHPOCB-HNNXBMFYSA-N 1 0 350.802 2.820 20 5 FFBDRO C[N@@H+]1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cn2)[C@@H]1c1cccs1 ZINC000366141310 511863499 /nfs/dbraw/zinc/86/34/99/511863499.db2.gz BHVPSNVEHBNFQX-MLGOLLRUSA-N 1 0 360.439 2.864 20 5 FFBDRO COCCOCCOCCC[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000274531919 511865833 /nfs/dbraw/zinc/86/58/33/511865833.db2.gz ANHJUBFOXMGJIW-MRXNPFEDSA-N 1 0 354.447 2.575 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](C[NH+](C)C)Oc2ccccc21 ZINC000366162668 511875902 /nfs/dbraw/zinc/87/59/02/511875902.db2.gz HXLHZZQJSCYKHB-AWEZNQCLSA-N 1 0 371.393 2.573 20 5 FFBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000327636723 511879962 /nfs/dbraw/zinc/87/99/62/511879962.db2.gz ALVNRUZGCROEIX-HNNXBMFYSA-N 1 0 363.439 2.662 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1C ZINC000327781406 511881813 /nfs/dbraw/zinc/88/18/13/511881813.db2.gz ZGXULCNOGYPALD-LSDHHAIUSA-N 1 0 367.471 2.507 20 5 FFBDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)c3cc([N+](=O)[O-])ccc3N3CCCCC3)C2)C1 ZINC000293648799 512038078 /nfs/dbraw/zinc/03/80/78/512038078.db2.gz GTIAXIAGGCELGB-HXUWFJFHSA-N 1 0 372.469 2.753 20 5 FFBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)NC1CC([NH+]2CCCCC2)C1 ZINC000366552203 512083552 /nfs/dbraw/zinc/08/35/52/512083552.db2.gz OPXNKZFUVVGHEF-UHFFFAOYSA-N 1 0 360.458 2.920 20 5 FFBDRO O=C1Nc2ccccc2[C@]12CC[N@@H+](CCOc1ccccc1[N+](=O)[O-])C2 ZINC000364434815 512108929 /nfs/dbraw/zinc/10/89/29/512108929.db2.gz OXUPGPCHRCQNAY-LJQANCHMSA-N 1 0 353.378 2.569 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(CC(=O)NCC[N@H+](C)C2CCCCC2)c1F ZINC000411436217 512636114 /nfs/dbraw/zinc/63/61/14/512636114.db2.gz DXVJZQDOJWJGQZ-UHFFFAOYSA-N 1 0 367.421 2.666 20 5 FFBDRO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCC[N@@H+]2CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000374169849 512690273 /nfs/dbraw/zinc/69/02/73/512690273.db2.gz GURCWZVDKSGFST-OAOQPFQOSA-N 1 0 361.442 2.795 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(c2c[nH]cn2)CC1 ZINC000374199767 512704909 /nfs/dbraw/zinc/70/49/09/512704909.db2.gz LADUCLGGIPBIML-UHFFFAOYSA-N 1 0 373.413 2.535 20 5 FFBDRO Cc1c(CC(=O)N[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000374315526 512762431 /nfs/dbraw/zinc/76/24/31/512762431.db2.gz GAWLSSAIPDSNHO-MSOLQXFVSA-N 1 0 353.422 2.660 20 5 FFBDRO C[C@H]([NH2+][C@H]1CCN(c2ccccc2C(N)=O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000370167938 512800020 /nfs/dbraw/zinc/80/00/20/512800020.db2.gz WZDFWORPOJLTKL-ZFWWWQNUSA-N 1 0 354.410 2.623 20 5 FFBDRO Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000378540252 512814471 /nfs/dbraw/zinc/81/44/71/512814471.db2.gz KBRCJKDKXUCWIR-INIZCTEOSA-N 1 0 368.437 2.819 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCCc2cc(C[NH3+])ccc21 ZINC000374402449 512815870 /nfs/dbraw/zinc/81/58/70/512815870.db2.gz SNPDQGOIFQGWSM-UHFFFAOYSA-N 1 0 361.423 2.503 20 5 FFBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000376523511 512856064 /nfs/dbraw/zinc/85/60/64/512856064.db2.gz VOTBQKSIRCMCIO-DYVFJYSZSA-N 1 0 358.442 2.868 20 5 FFBDRO CO[C@H]1c2ccccc2C[C@H]1[NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000411891023 512863379 /nfs/dbraw/zinc/86/33/79/512863379.db2.gz FZIDVFNUYNEFIB-QRVBRYPASA-N 1 0 367.405 2.602 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC2(C1)CC[NH2+]CC2 ZINC000374512602 512866338 /nfs/dbraw/zinc/86/63/38/512866338.db2.gz DIHIKPXCGSPNAA-UHFFFAOYSA-N 1 0 368.231 2.573 20 5 FFBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3Br)C[C@H]21 ZINC000368255004 512867701 /nfs/dbraw/zinc/86/77/01/512867701.db2.gz QUADRAYZSZJKCF-GAJTVXKRSA-N 1 0 368.231 2.557 20 5 FFBDRO O=[N+]([O-])c1cc(CN2C[C@@H](O)C[C@H]2c2ccccc2)c2c(c1)COCO2 ZINC000411949954 512885814 /nfs/dbraw/zinc/88/58/14/512885814.db2.gz QSXAMSSDQKCRDS-ROUUACIJSA-N 1 0 356.378 2.769 20 5 FFBDRO C[N@@H+]1CCCC12CCN(C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000370366817 512896723 /nfs/dbraw/zinc/89/67/23/512896723.db2.gz MKDVIDLHLWMJJA-UHFFFAOYSA-N 1 0 353.369 2.773 20 5 FFBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)CCOc3ccc(Cl)cc3[N+](=O)[O-])C[C@H]21 ZINC000374592379 512906750 /nfs/dbraw/zinc/90/67/50/512906750.db2.gz GNTIHFPSGDAZOW-MRVWCRGKSA-N 1 0 367.833 2.603 20 5 FFBDRO NC(=O)c1ccccc1N1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000374597695 512909672 /nfs/dbraw/zinc/90/96/72/512909672.db2.gz WBFZVCQAMDEHTP-ZDUSSCGKSA-N 1 0 374.828 2.716 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]2)c(Cl)c1 ZINC000392134107 512921987 /nfs/dbraw/zinc/92/19/87/512921987.db2.gz JCBMPNOBEUOVNN-KBPBESRZSA-N 1 0 373.862 2.543 20 5 FFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)C(C)(C)CN1CCOCC1 ZINC000412073794 512944165 /nfs/dbraw/zinc/94/41/65/512944165.db2.gz AMUXAHYIDZJGPF-UHFFFAOYSA-N 1 0 365.474 2.925 20 5 FFBDRO COc1cc(C(=O)N2C[C@H](C[NH+](C)C)Oc3ccccc32)ccc1[N+](=O)[O-] ZINC000370505561 512968238 /nfs/dbraw/zinc/96/82/38/512968238.db2.gz VREVHJLUNHCWDO-AWEZNQCLSA-N 1 0 371.393 2.573 20 5 FFBDRO C[NH+](C)CCN(Cc1ccco1)C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412176322 512987125 /nfs/dbraw/zinc/98/71/25/512987125.db2.gz RZTNVZJFJYYPCO-ZWKOTPCHSA-N 1 0 357.410 2.882 20 5 FFBDRO CC(C)Oc1cc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000412192646 512992818 /nfs/dbraw/zinc/99/28/18/512992818.db2.gz KMIKDVQIROZJOE-HZPDHXFCSA-N 1 0 361.442 2.938 20 5 FFBDRO CCOc1cc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2cnn(C)c2)ccc1[N+](=O)[O-] ZINC000372810111 513053833 /nfs/dbraw/zinc/05/38/33/513053833.db2.gz NIZGUZCUQBUEIL-WMZOPIPTSA-N 1 0 374.441 2.815 20 5 FFBDRO CC(C)Oc1cc(C(=O)N2CC[N@@H+](C3CC3)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000412369427 513055929 /nfs/dbraw/zinc/05/59/29/513055929.db2.gz PGZMPCQAVWWHCX-AWEZNQCLSA-N 1 0 361.442 2.938 20 5 FFBDRO CCc1cc(N[C@H]2CCC[C@@H]2[NH+](C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000439657766 513158204 /nfs/dbraw/zinc/15/82/04/513158204.db2.gz GXKPBPNTKNDNMM-IRXDYDNUSA-N 1 0 355.442 2.931 20 5 FFBDRO Cc1nn(CCC(=O)Nc2ccc(C[NH+](C)C)cc2F)c(C)c1[N+](=O)[O-] ZINC000412558466 513160230 /nfs/dbraw/zinc/16/02/30/513160230.db2.gz LFYQTKZIMZRFEA-UHFFFAOYSA-N 1 0 363.393 2.638 20 5 FFBDRO Cc1ccc(CC2CC[NH+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)cc1C ZINC000428713513 513171854 /nfs/dbraw/zinc/17/18/54/513171854.db2.gz WIPIAOAXRRCRBH-FQEVSTJZSA-N 1 0 372.469 2.724 20 5 FFBDRO CN(C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000417718552 513179610 /nfs/dbraw/zinc/17/96/10/513179610.db2.gz OKTFBPKPHQNFGS-BYICEURKSA-N 1 0 360.458 2.842 20 5 FFBDRO COC(=O)[C@@]1(c2ccccc2)CC[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000428794041 513193932 /nfs/dbraw/zinc/19/39/32/513193932.db2.gz LXJCUGCRVMUSPK-FQEVSTJZSA-N 1 0 370.405 2.920 20 5 FFBDRO COC(=O)[C@]1(c2ccccc2)CC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000428793991 513194491 /nfs/dbraw/zinc/19/44/91/513194491.db2.gz MBYOZFIZVIKJTK-HXUWFJFHSA-N 1 0 370.405 2.920 20 5 FFBDRO COc1ccc(NC(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000415430652 513257537 /nfs/dbraw/zinc/25/75/37/513257537.db2.gz CSAMDHDSPODRBD-UKRRQHHQSA-N 1 0 362.430 2.989 20 5 FFBDRO O=[N+]([O-])c1cc(Br)ccc1NC[C@@H]1CCC[N@H+]1CCCO ZINC000450598765 513266940 /nfs/dbraw/zinc/26/69/40/513266940.db2.gz RBSHVTVFDUFXDQ-LBPRGKRZSA-N 1 0 358.236 2.616 20 5 FFBDRO C[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])Cc2ccccc2O1 ZINC000429140474 513289945 /nfs/dbraw/zinc/28/99/45/513289945.db2.gz ZLRRLQCJKISWIF-GDBMZVCRSA-N 1 0 358.394 2.618 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCc2ccc([C@@H](C)[NH3+])cc2)cc1C ZINC000440427912 513318024 /nfs/dbraw/zinc/31/80/24/513318024.db2.gz OTSVLUDWBDREAS-CYBMUJFWSA-N 1 0 363.439 2.710 20 5 FFBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)NCCc3ccc(Cl)cc3[N+](=O)[O-])C[C@@H]21 ZINC000417991482 513321676 /nfs/dbraw/zinc/32/16/76/513321676.db2.gz NGBSTHUGNFJROD-AEGPPILISA-N 1 0 366.849 2.560 20 5 FFBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000418002030 513329500 /nfs/dbraw/zinc/32/95/00/513329500.db2.gz YFGOPNQPLGLBCA-QGZVFWFLSA-N 1 0 366.849 2.576 20 5 FFBDRO CCC1(CC)[C@H]([NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@H](C)[C@H]1OC ZINC000429292039 513329650 /nfs/dbraw/zinc/32/96/50/513329650.db2.gz HTSIRZOWCTYXOO-MORSLUCNSA-N 1 0 363.458 2.987 20 5 FFBDRO O=[N+]([O-])c1ccc(OCCC[NH2+][C@]2(CO)CCOc3ccccc32)cc1 ZINC000440490586 513332694 /nfs/dbraw/zinc/33/26/94/513332694.db2.gz UZJGDCRUUICDQB-IBGZPJMESA-N 1 0 358.394 2.624 20 5 FFBDRO O=C(C[NH2+][C@@H]1Cc2cccc(O)c2C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000429321957 513339127 /nfs/dbraw/zinc/33/91/27/513339127.db2.gz GRMWLZQIIMGINM-GFCCVEGCSA-N 1 0 361.785 2.649 20 5 FFBDRO O=[N+]([O-])c1cc(Br)ccc1NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000450786654 513340615 /nfs/dbraw/zinc/34/06/15/513340615.db2.gz DJZGZQLXFUSTDT-TXEJJXNPSA-N 1 0 356.220 2.632 20 5 FFBDRO Cc1c(CNC(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000418077658 513363718 /nfs/dbraw/zinc/36/37/18/513363718.db2.gz IBTGAWLDSANVNM-AEFFLSMTSA-N 1 0 360.458 2.967 20 5 FFBDRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000418078565 513364062 /nfs/dbraw/zinc/36/40/62/513364062.db2.gz JPQJWLQBIYRQEL-KRWDZBQOSA-N 1 0 356.426 2.965 20 5 FFBDRO Cc1c(NC(=O)N2CCC[C@@H]([NH3+])C2)cc(Br)cc1[N+](=O)[O-] ZINC000415652630 513364578 /nfs/dbraw/zinc/36/45/78/513364578.db2.gz HPXXPMQRZBTUIK-SNVBAGLBSA-N 1 0 357.208 2.621 20 5 FFBDRO Cc1c(CNC(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)cccc1[N+](=O)[O-] ZINC000418084526 513366497 /nfs/dbraw/zinc/36/64/97/513366497.db2.gz VMRPDIWRDARQGH-QGZVFWFLSA-N 1 0 360.458 2.823 20 5 FFBDRO O=C(NCC[C@@H]1CCC[NH2+]C1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000418088082 513367374 /nfs/dbraw/zinc/36/73/74/513367374.db2.gz JFGNAMUHYFZQLB-NSHDSACASA-N 1 0 374.363 2.803 20 5 FFBDRO CCC([NH3+])(CC)CNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000418088901 513367636 /nfs/dbraw/zinc/36/76/36/513367636.db2.gz LAJJIRJVEXFTCI-UHFFFAOYSA-N 1 0 362.352 2.930 20 5 FFBDRO C[C@@H]([NH3+])C1CCN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000418090876 513368937 /nfs/dbraw/zinc/36/89/37/513368937.db2.gz ONHCHQAOOUQOQE-SNVBAGLBSA-N 1 0 374.363 2.882 20 5 FFBDRO CC(C)[C@H](c1ccc(F)cc1)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000434622512 513370664 /nfs/dbraw/zinc/37/06/64/513370664.db2.gz FLGCVAHFCWFMNS-DLBZAZTESA-N 1 0 350.394 2.620 20 5 FFBDRO O=C(NCC[C@H]1CCC[NH2+]C1)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415689239 513382610 /nfs/dbraw/zinc/38/26/10/513382610.db2.gz CWTGXISTQGGRBY-SNVBAGLBSA-N 1 0 371.235 2.869 20 5 FFBDRO CC1(C)C[NH2+]CC[C@H]1NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415705280 513391206 /nfs/dbraw/zinc/39/12/06/513391206.db2.gz SYMUDFYHVBKROQ-GFCCVEGCSA-N 1 0 371.235 2.867 20 5 FFBDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000425058826 513395458 /nfs/dbraw/zinc/39/54/58/513395458.db2.gz PRZYOCNULSHGGO-IINYFYTJSA-N 1 0 357.332 2.780 20 5 FFBDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000429516433 513396431 /nfs/dbraw/zinc/39/64/31/513396431.db2.gz OZZYJHFXCSTGEX-HOCLYGCPSA-N 1 0 360.458 2.655 20 5 FFBDRO CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c(C)cc2C)C[C@@H]1[NH+]1CCCC1 ZINC000421806569 513439095 /nfs/dbraw/zinc/43/90/95/513439095.db2.gz ZULYNTNDKZGKRZ-DLBZAZTESA-N 1 0 363.483 2.863 20 5 FFBDRO CN(C(=O)C[NH2+][C@H](c1ccccc1)C(C)(C)CO)c1ccc([N+](=O)[O-])cc1 ZINC000429718784 513449594 /nfs/dbraw/zinc/44/95/94/513449594.db2.gz JUICCCMARPBENC-LJQANCHMSA-N 1 0 371.437 2.907 20 5 FFBDRO CC(C)(NC(=O)NCCC[NH2+]Cc1cccnc1)c1ccccc1[N+](=O)[O-] ZINC000418333877 513468568 /nfs/dbraw/zinc/46/85/68/513468568.db2.gz VZYMKMLIQCYDHF-UHFFFAOYSA-N 1 0 371.441 2.704 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCc2ccc3c(c2)OCCO3)n1 ZINC000447510929 513493569 /nfs/dbraw/zinc/49/35/69/513493569.db2.gz RBJQYUIPSAWXLE-JKSUJKDBSA-N 1 0 372.425 2.879 20 5 FFBDRO CCNC(=O)c1cccc(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000447529923 513498572 /nfs/dbraw/zinc/49/85/72/513498572.db2.gz NCHBWYJCHHJLFB-SJORKVTESA-N 1 0 371.441 2.815 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@@H]2CCOC3(CCOCC3)C2)n1 ZINC000447585584 513515967 /nfs/dbraw/zinc/51/59/67/513515967.db2.gz KQSTYTMLXUPZLA-BZUAXINKSA-N 1 0 364.446 2.593 20 5 FFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCc2c[nH]c3ncccc23)n1 ZINC000447586707 513516240 /nfs/dbraw/zinc/51/62/40/513516240.db2.gz NLZFLOWKUNJJID-CVEARBPZSA-N 1 0 354.414 2.984 20 5 FFBDRO CCC(CC)(C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)C(=O)OC ZINC000447592578 513517632 /nfs/dbraw/zinc/51/76/32/513517632.db2.gz MNKZHMLDEZEIJS-KBPBESRZSA-N 1 0 352.435 2.844 20 5 FFBDRO CO[C@H](CC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)C(F)(F)F ZINC000447597167 513518275 /nfs/dbraw/zinc/51/82/75/513518275.db2.gz FONNARSXUSUWBP-IJLUTSLNSA-N 1 0 350.341 2.832 20 5 FFBDRO Cc1ccc(C[C@H](CO)[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000447597640 513519122 /nfs/dbraw/zinc/51/91/22/513519122.db2.gz SWRMRGPKEYWYHF-FGTMMUONSA-N 1 0 358.442 2.777 20 5 FFBDRO C[C@@H]1CN(c2nccc3ccc([N+](=O)[O-])cc32)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000413214012 513524812 /nfs/dbraw/zinc/52/48/12/513524812.db2.gz KSVBLHLCOYSMIT-BEFAXECRSA-N 1 0 369.469 2.605 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+]C[C@@H]2CCC(F)(F)C2)cc1[N+](=O)[O-] ZINC000430018897 513528939 /nfs/dbraw/zinc/52/89/39/513528939.db2.gz DSUCOQRINDKKHE-GFCCVEGCSA-N 1 0 358.341 2.672 20 5 FFBDRO COCC[N@H+](C)CCNc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] ZINC000447679727 513540051 /nfs/dbraw/zinc/54/00/51/513540051.db2.gz LNCSJFJXHCHLTI-UHFFFAOYSA-N 1 0 372.294 2.634 20 5 FFBDRO O=[N+]([O-])c1cnn(CC[NH2+]C2(c3ccc(OC(F)(F)F)cc3)CC2)c1 ZINC000451145287 513549966 /nfs/dbraw/zinc/54/99/66/513549966.db2.gz JDAIFPCDGUCRKS-UHFFFAOYSA-N 1 0 356.304 2.969 20 5 FFBDRO C[NH+](C)[C@H](CC(=O)NCCNc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000416128966 513583795 /nfs/dbraw/zinc/58/37/95/513583795.db2.gz VNYPYRJCXMNYKX-GOSISDBHSA-N 1 0 356.426 2.816 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000430211263 513588338 /nfs/dbraw/zinc/58/83/38/513588338.db2.gz XHOPTXFDWRHADD-RVKKMQEKSA-N 1 0 363.458 2.677 20 5 FFBDRO O=C(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000418656047 513596068 /nfs/dbraw/zinc/59/60/68/513596068.db2.gz DVEDFJRREUGCQU-DLBZAZTESA-N 1 0 358.442 2.657 20 5 FFBDRO Cc1ncsc1CN(C[C@@H]1CC[NH2+]C1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000435592775 513628573 /nfs/dbraw/zinc/62/85/73/513628573.db2.gz JQNZKWVCJNXAGT-CYBMUJFWSA-N 1 0 360.439 2.612 20 5 FFBDRO Cc1ncsc1CN(C[C@@H]1CC[NH2+]C1)C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000435597566 513630005 /nfs/dbraw/zinc/63/00/05/513630005.db2.gz JWCHMYMBNJTFAM-CQSZACIVSA-N 1 0 374.466 2.920 20 5 FFBDRO C[NH+](C)[C@H](CC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccccc1 ZINC000416219424 513654141 /nfs/dbraw/zinc/65/41/41/513654141.db2.gz HJDUUOGJAWYQMU-QGZVFWFLSA-N 1 0 367.409 2.780 20 5 FFBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000451295872 513659264 /nfs/dbraw/zinc/65/92/64/513659264.db2.gz NVVCKUUEWAAYRI-QGZVFWFLSA-N 1 0 361.442 2.794 20 5 FFBDRO Cn1ccnc1CN(CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435696533 513661086 /nfs/dbraw/zinc/66/10/86/513661086.db2.gz QFWNTTSQBHTVAH-GOSISDBHSA-N 1 0 369.469 2.515 20 5 FFBDRO COc1ccccc1CCNC(=O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000435785531 513683545 /nfs/dbraw/zinc/68/35/45/513683545.db2.gz CIWLKWKXKHQXNP-AWEZNQCLSA-N 1 0 357.410 2.613 20 5 FFBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)[C@@H](C)C[N@@H+]1CCO ZINC000419007407 513714214 /nfs/dbraw/zinc/71/42/14/513714214.db2.gz RMTYSHRCJLIIKA-CABCVRRESA-N 1 0 356.426 2.548 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCC[C@@H]3[C@@H]3CCC[C@@H]3O)n2)cc1 ZINC000451426690 513743085 /nfs/dbraw/zinc/74/30/85/513743085.db2.gz VWTLGOUEYAYGRX-XHSDSOJGSA-N 1 0 358.398 2.770 20 5 FFBDRO COCC(C)(C)[NH2+]CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000436092807 513758116 /nfs/dbraw/zinc/75/81/16/513758116.db2.gz MBHOMGGXWPCUES-UHFFFAOYSA-N 1 0 364.427 2.671 20 5 FFBDRO COc1cc(C(=O)NCC(C)(C)[NH+]2CCCCC2)c([N+](=O)[O-])cc1F ZINC000448582148 513792846 /nfs/dbraw/zinc/79/28/46/513792846.db2.gz MXGRVIMSQMOESP-UHFFFAOYSA-N 1 0 353.394 2.737 20 5 FFBDRO CO[C@@H]1[C@@H](C)[C@@H]([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1(C)C ZINC000451504424 513794293 /nfs/dbraw/zinc/79/42/93/513794293.db2.gz SELQYTWTOHZKBM-TZTCFGBESA-N 1 0 355.822 2.836 20 5 FFBDRO C[NH+](C)Cc1ccccc1CNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000448598980 513802195 /nfs/dbraw/zinc/80/21/95/513802195.db2.gz XAYUAMJEAIJLNW-UHFFFAOYSA-N 1 0 369.421 2.936 20 5 FFBDRO C[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)[C@H](CO)c1ccccc1 ZINC000436250124 513805907 /nfs/dbraw/zinc/80/59/07/513805907.db2.gz BNQAXNKPEBSULP-QGZVFWFLSA-N 1 0 371.393 2.558 20 5 FFBDRO CC(C)[C@@H](CO)[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000451596751 513856771 /nfs/dbraw/zinc/85/67/71/513856771.db2.gz LVDQKLGUXSQVEP-SJLPKXTDSA-N 1 0 351.447 2.802 20 5 FFBDRO C[C@@H]1[C@@H](NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CCC[N@@H+]1C ZINC000426209179 513872245 /nfs/dbraw/zinc/87/22/45/513872245.db2.gz HNBBBWYXCAPQAC-YGRLFVJLSA-N 1 0 374.363 2.896 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N(C)CCC[N@@H+](C)CCN(C)C ZINC000436506992 513876853 /nfs/dbraw/zinc/87/68/53/513876853.db2.gz DWJKZUWJMRWGTN-UHFFFAOYSA-N 1 0 365.478 2.559 20 5 FFBDRO Cc1cc(S(=O)(=O)N(C)C(C)(C)C[NH+]2CCCC2)c(C)cc1[N+](=O)[O-] ZINC000416663584 513895594 /nfs/dbraw/zinc/89/55/94/513895594.db2.gz QOYIVVXRFFXMAH-UHFFFAOYSA-N 1 0 369.487 2.707 20 5 FFBDRO C[N@H+](CCNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000448803003 513905590 /nfs/dbraw/zinc/90/55/90/513905590.db2.gz BONASGXONLRGNI-UHFFFAOYSA-N 1 0 361.442 2.938 20 5 FFBDRO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@@H]3C[C@H](O)CC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000451690950 513912846 /nfs/dbraw/zinc/91/28/46/513912846.db2.gz ARPFUZJBYWCGBP-ZJIFWQFVSA-N 1 0 361.442 2.713 20 5 FFBDRO CC(C)(C(=O)NCCNc1ccccc1[N+](=O)[O-])[C@@H]([NH3+])c1ccccc1 ZINC000422931762 513980258 /nfs/dbraw/zinc/98/02/58/513980258.db2.gz CUUDTLNEAWCPTA-KRWDZBQOSA-N 1 0 356.426 2.849 20 5 FFBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@](C)(O)CC[NH+](C)C ZINC000420020413 513998420 /nfs/dbraw/zinc/99/84/20/513998420.db2.gz SEYMMULHEDHVEA-KRWDZBQOSA-N 1 0 369.487 2.528 20 5 FFBDRO C[NH+](C)CCN(C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000448973219 514001848 /nfs/dbraw/zinc/00/18/48/514001848.db2.gz ZGPOCFZEGRCEMX-UHFFFAOYSA-N 1 0 361.442 2.891 20 5 FFBDRO Cc1ccc(C(=O)NCC[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])cc1F ZINC000449077437 514061745 /nfs/dbraw/zinc/06/17/45/514061745.db2.gz RRQIGMRJEIWAFD-AWEZNQCLSA-N 1 0 359.401 2.993 20 5 FFBDRO CCc1cc(N2CC[C@@H]3C[NH2+]C[C@@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000420253130 514061851 /nfs/dbraw/zinc/06/18/51/514061851.db2.gz DBHXYXACFOLGRN-HUUCEWRRSA-N 1 0 353.426 2.660 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccc(C[NH+](C)C)cc1F ZINC000414399074 514094379 /nfs/dbraw/zinc/09/43/79/514094379.db2.gz UZLAXXSHXJSMSN-UHFFFAOYSA-N 1 0 367.402 2.905 20 5 FFBDRO COc1cc(CN2CC[C@@H](C)C[C@@H]2C[NH3+])c([N+](=O)[O-])cc1OC(F)F ZINC000420343830 514102684 /nfs/dbraw/zinc/10/26/84/514102684.db2.gz RSOUCRSPGAIULM-ZYHUDNBSSA-N 1 0 359.373 2.764 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCN(CC(F)(F)F)C1=O ZINC000449213752 514116871 /nfs/dbraw/zinc/11/68/71/514116871.db2.gz VRCKWVYYCIIITJ-YPMHNXCESA-N 1 0 359.348 2.669 20 5 FFBDRO O=C1C[C@H](C[NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CN1 ZINC000414484164 514146027 /nfs/dbraw/zinc/14/60/27/514146027.db2.gz NWBXWDFMGURHRR-CYBMUJFWSA-N 1 0 359.357 2.752 20 5 FFBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000423466160 514148201 /nfs/dbraw/zinc/14/82/01/514148201.db2.gz YGGIGHQJBSWIIU-GFCCVEGCSA-N 1 0 355.847 2.693 20 5 FFBDRO C[C@H](NC(=O)NC[C@@H]1[NH2+]CCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000417128379 514183048 /nfs/dbraw/zinc/18/30/48/514183048.db2.gz IHJDRMUGQQXUPT-UGSOOPFHSA-N 1 0 354.410 2.842 20 5 FFBDRO COCCOC1(C[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000449395574 514192494 /nfs/dbraw/zinc/19/24/94/514192494.db2.gz VPWZQUMRQFNZLC-VBKFSLOCSA-N 1 0 364.442 2.800 20 5 FFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1Nc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420601935 514196788 /nfs/dbraw/zinc/19/67/88/514196788.db2.gz AKIBCHRISHFJPG-CZUORRHYSA-N 1 0 354.410 2.626 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N[C@@H]3CC[NH2+]C[C@@H]3C)cc2[N+](=O)[O-])C1 ZINC000432515636 514214986 /nfs/dbraw/zinc/21/49/86/514214986.db2.gz UAOVDOKHNZJNSW-IJEWVQPXSA-N 1 0 360.458 2.559 20 5 FFBDRO C[NH2+][C@H](C)Cc1noc(-c2cc([N+](=O)[O-])cc(Br)c2C)n1 ZINC000414647048 514221259 /nfs/dbraw/zinc/22/12/59/514221259.db2.gz QCZRZIOTCJPUND-SSDOTTSWSA-N 1 0 355.192 2.866 20 5 FFBDRO C[C@@H]1CN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@H](C)[N@H+]1CCO ZINC000449540789 514246972 /nfs/dbraw/zinc/24/69/72/514246972.db2.gz YIKIQTABZHHADH-GASCZTMLSA-N 1 0 359.426 2.742 20 5 FFBDRO C[C@H](CCC[NH3+])NC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000449570172 514257124 /nfs/dbraw/zinc/25/71/24/514257124.db2.gz JDXLPLZPBHEFMJ-RBSFLKMASA-N 1 0 362.474 2.934 20 5 FFBDRO CCCc1n[nH]c(C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)c1[N+](=O)[O-] ZINC000437873586 514257540 /nfs/dbraw/zinc/25/75/40/514257540.db2.gz IRVZBNKTYQKBLG-AWEZNQCLSA-N 1 0 363.462 2.797 20 5 FFBDRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000438022929 514290027 /nfs/dbraw/zinc/29/00/27/514290027.db2.gz ZCODOCYHLWJOGL-WMZOPIPTSA-N 1 0 358.442 2.896 20 5 FFBDRO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000423957981 514307263 /nfs/dbraw/zinc/30/72/63/514307263.db2.gz LYWHGWSXBSMKNV-IRXDYDNUSA-N 1 0 372.469 2.799 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N[C@H]3CC[NH2+]CC3(C)C)cc2[N+](=O)[O-])CC1 ZINC000449692700 514307563 /nfs/dbraw/zinc/30/75/63/514307563.db2.gz BFLFFDAJEUUPLF-SFHVURJKSA-N 1 0 374.485 2.949 20 5 FFBDRO CCc1ccccc1[C@H]([NH3+])CNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000423969528 514313936 /nfs/dbraw/zinc/31/39/36/514313936.db2.gz FABXTVQQJPLDFG-MRXNPFEDSA-N 1 0 357.410 2.742 20 5 FFBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N[C@H]3CC[C@@H](C[NH3+])C3)cc2[N+](=O)[O-])C1 ZINC000449713151 514319099 /nfs/dbraw/zinc/31/90/99/514319099.db2.gz WHDYXKGLSQGWHJ-DLTWYDFYSA-N 1 0 374.485 2.934 20 5 FFBDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000449721916 514322806 /nfs/dbraw/zinc/32/28/06/514322806.db2.gz UVGAYQCWRMEKRY-PWSUYJOCSA-N 1 0 374.363 2.659 20 5 FFBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000420831237 514326414 /nfs/dbraw/zinc/32/64/14/514326414.db2.gz YXEQNLISXNHKMM-CQSZACIVSA-N 1 0 354.838 2.526 20 5 FFBDRO Cc1ccccc1[C@H](CC(F)(F)F)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000444778692 514329393 /nfs/dbraw/zinc/32/93/93/514329393.db2.gz JPARGGURZUVGFN-ZFWWWQNUSA-N 1 0 372.347 2.744 20 5 FFBDRO Cc1csc(Sc2ccc(C(=O)N(C)CC[NH3+])cc2[N+](=O)[O-])n1 ZINC000424013166 514340300 /nfs/dbraw/zinc/34/03/00/514340300.db2.gz VTPXIPZYQZVSEE-UHFFFAOYSA-N 1 0 352.441 2.542 20 5 FFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000424051228 514359180 /nfs/dbraw/zinc/35/91/80/514359180.db2.gz INGIGPXODIXJCV-MQYQWHSLSA-N 1 0 351.472 2.907 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])cc2OC)C[C@@H]1C ZINC000444896556 514363537 /nfs/dbraw/zinc/36/35/37/514363537.db2.gz MMDNJTKMWZUHCW-STQMWFEESA-N 1 0 350.419 2.940 20 5 FFBDRO C[C@@H]1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@@H]1C[NH3+] ZINC000414946709 514369028 /nfs/dbraw/zinc/36/90/28/514369028.db2.gz JXHLKHLERGOOSP-ZJUUUORDSA-N 1 0 358.345 2.645 20 5 FFBDRO COc1ccc(-c2ccc(C[NH2+]C[C@@H]3CCN(C)C(=O)C3)o2)c([N+](=O)[O-])c1 ZINC000424183244 514408797 /nfs/dbraw/zinc/40/87/97/514408797.db2.gz BANXBABKODQVET-CYBMUJFWSA-N 1 0 373.409 2.821 20 5 FFBDRO CN1CC[C@H](C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1=O ZINC000424195203 514411311 /nfs/dbraw/zinc/41/13/11/514411311.db2.gz XYFMTWDCYWFKQO-LBPRGKRZSA-N 1 0 360.439 2.676 20 5 FFBDRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000415110040 514446758 /nfs/dbraw/zinc/44/67/58/514446758.db2.gz OSTYUHPAVWCGAV-IAGOWNOFSA-N 1 0 353.850 2.967 20 5 FFBDRO CC(C)c1ccc(CN2CCC[C@H](n3cc(C[NH3+])nn3)C2)cc1[N+](=O)[O-] ZINC000415132312 514459293 /nfs/dbraw/zinc/45/92/93/514459293.db2.gz TYXAOZQBZQNQDA-INIZCTEOSA-N 1 0 358.446 2.606 20 5 FFBDRO O=C(NCC(F)(F)F)[C@@H]1CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000428489112 514483944 /nfs/dbraw/zinc/48/39/44/514483944.db2.gz WJEVSIWTMMXQBD-HSBHDXMMSA-N 1 0 357.332 2.608 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(C[N@@H+]3CC[C@@H](O)C3)c2)c1 ZINC000428531929 514489919 /nfs/dbraw/zinc/48/99/19/514489919.db2.gz AXJLRSCBVGQFQT-MRXNPFEDSA-N 1 0 355.394 2.722 20 5 FFBDRO Cn1cnc([N+](=O)[O-])c1-c1noc(C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000445582071 514495855 /nfs/dbraw/zinc/49/58/55/514495855.db2.gz GEYOPMCUXAEWKY-UHFFFAOYSA-N 1 0 368.397 2.758 20 5 FFBDRO C[C@@H](O)CCC[NH+]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000475050651 514539104 /nfs/dbraw/zinc/53/91/04/514539104.db2.gz WUFFHXYHANHIDD-GFCCVEGCSA-N 1 0 361.364 2.897 20 5 FFBDRO CCOC(=O)[C@@]1(COC)CCC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000439474914 514560680 /nfs/dbraw/zinc/56/06/80/514560680.db2.gz XVLOCNLZUAEBPU-KDOFPFPSSA-N 1 0 350.415 2.948 20 5 FFBDRO CN(C(=O)c1ccc([N+](=O)[O-])n1C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470675938 514568972 /nfs/dbraw/zinc/56/89/72/514568972.db2.gz VVPICTIVNRTSAV-MRXNPFEDSA-N 1 0 356.426 2.670 20 5 FFBDRO C[N@@H+]1CCCC[C@H]1CCC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000479472497 514596778 /nfs/dbraw/zinc/59/67/78/514596778.db2.gz IFWGGFXNXWTGLM-INIZCTEOSA-N 1 0 360.458 2.508 20 5 FFBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000453343521 514605888 /nfs/dbraw/zinc/60/58/88/514605888.db2.gz NQFLLTUCFXFHBY-OQIJWPOYSA-N 1 0 359.470 2.759 20 5 FFBDRO O=C(NC1CC([NH+]2CCCCC2)C1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000475309027 514611440 /nfs/dbraw/zinc/61/14/40/514611440.db2.gz FISNXUZSGPLCIJ-UHFFFAOYSA-N 1 0 358.442 2.679 20 5 FFBDRO CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000453473001 514662648 /nfs/dbraw/zinc/66/26/48/514662648.db2.gz WLTYJENMWVKQIO-INIZCTEOSA-N 1 0 358.446 2.792 20 5 FFBDRO C[NH+](C)CCOc1ccc(NC(=O)Cc2cccc([N+](=O)[O-])c2)cc1F ZINC000458277597 514681551 /nfs/dbraw/zinc/68/15/51/514681551.db2.gz DYXCIYJPZBKLGP-UHFFFAOYSA-N 1 0 361.373 2.856 20 5 FFBDRO C[C@@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])C(=O)NCCc1ccccc1 ZINC000453610524 514723163 /nfs/dbraw/zinc/72/31/63/514723163.db2.gz JKFHJGPUJCHGNG-MRDWYFFCSA-N 1 0 353.422 2.945 20 5 FFBDRO CC[C@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)[N@@H+]1CCc2ccccc2C1 ZINC000498038085 514732931 /nfs/dbraw/zinc/73/29/31/514732931.db2.gz JKNYNFLUWVKWQL-MRXNPFEDSA-N 1 0 356.426 2.500 20 5 FFBDRO COC(=O)C1CC[NH+](CCCNc2cc(C)c([N+](=O)[O-])cc2F)CC1 ZINC000461780995 514733802 /nfs/dbraw/zinc/73/38/02/514733802.db2.gz ZDAUTMWMYGUWSC-UHFFFAOYSA-N 1 0 353.394 2.729 20 5 FFBDRO CCO[C@@H]1COCC[C@@H]1[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000484657539 514734624 /nfs/dbraw/zinc/73/46/24/514734624.db2.gz VFZCFUFWIPGDDU-DOTOQJQBSA-N 1 0 361.398 2.576 20 5 FFBDRO O=C(NCCC[NH+]1CCCCC1)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000498126007 514771406 /nfs/dbraw/zinc/77/14/06/514771406.db2.gz LYXUYMBIHZCVLW-UHFFFAOYSA-N 1 0 368.865 2.966 20 5 FFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000466923249 514829713 /nfs/dbraw/zinc/82/97/13/514829713.db2.gz JFNHNDHENWGVBG-KBXCAEBGSA-N 1 0 360.458 2.998 20 5 FFBDRO CNc1nc(C(=O)N[C@H](C)[C@@H](c2ccccc2C)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000456025431 514911149 /nfs/dbraw/zinc/91/11/49/514911149.db2.gz MIGNXTKBQYQXDB-DYVFJYSZSA-N 1 0 371.441 2.761 20 5 FFBDRO CN(C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CC[N@@H+](C2CC2)C1 ZINC000498496439 514931902 /nfs/dbraw/zinc/93/19/02/514931902.db2.gz RMUOKPKWOJXXDJ-HNNXBMFYSA-N 1 0 366.849 2.669 20 5 FFBDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000471576293 514936781 /nfs/dbraw/zinc/93/67/81/514936781.db2.gz BAXBGMGKNYPVKL-UOIKSKOESA-N 1 0 356.426 2.809 20 5 FFBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000485348542 515004861 /nfs/dbraw/zinc/00/48/61/515004861.db2.gz LPGCGDDFLAVHEF-OLZOCXBDSA-N 1 0 367.471 2.546 20 5 FFBDRO NC(=O)c1ccc(C[NH2+][C@@H]2CCC[C@H]2OCc2ccccc2)c([N+](=O)[O-])c1 ZINC000503523319 515066753 /nfs/dbraw/zinc/06/67/53/515066753.db2.gz PBHJWVXYQYHQGK-IEBWSBKVSA-N 1 0 369.421 2.921 20 5 FFBDRO CC(C)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)C1 ZINC000462481510 515075497 /nfs/dbraw/zinc/07/54/97/515075497.db2.gz ASAQLWNEUWVSHD-INIZCTEOSA-N 1 0 356.426 2.885 20 5 FFBDRO C[NH+]1CCC(CNc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)CC1 ZINC000462480910 515075901 /nfs/dbraw/zinc/07/59/01/515075901.db2.gz PHMBWFPMFGTWKV-UHFFFAOYSA-N 1 0 356.426 2.744 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC[C@@H](c3ccccc3F)C2)c1 ZINC000503702941 515125072 /nfs/dbraw/zinc/12/50/72/515125072.db2.gz RSFSGNRUTIFDBE-GDBMZVCRSA-N 1 0 360.385 2.963 20 5 FFBDRO Cc1ccc(C)c(S(=O)(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000481022969 515176381 /nfs/dbraw/zinc/17/63/81/515176381.db2.gz KYAYAYPKALCAOR-OAHLLOKOSA-N 1 0 369.487 2.610 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2C[C@H](c3ccccc3)[C@H]3CCCC[C@@H]32)c1 ZINC000485878587 515230879 /nfs/dbraw/zinc/23/08/79/515230879.db2.gz YBLSXIIAQALGEU-WTGUMLROSA-N 1 0 370.453 2.810 20 5 FFBDRO CC[C@H](C)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000456536884 515242036 /nfs/dbraw/zinc/24/20/36/515242036.db2.gz VRESPYWHEQNBRO-NSHDSACASA-N 1 0 370.247 2.914 20 5 FFBDRO CC(C)OCCC[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000481203955 515246160 /nfs/dbraw/zinc/24/61/60/515246160.db2.gz MESWXRDPINEXBU-UHFFFAOYSA-N 1 0 361.446 2.798 20 5 FFBDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000472795810 515401628 /nfs/dbraw/zinc/40/16/28/515401628.db2.gz WAIHIQOHSNKQFT-MRXNPFEDSA-N 1 0 350.419 2.559 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])c(N(C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)n1 ZINC000491351796 515416752 /nfs/dbraw/zinc/41/67/52/515416752.db2.gz ZULCXJUNBPDJMT-HXUWFJFHSA-N 1 0 370.453 2.680 20 5 FFBDRO C[C@H](CC[NH3+])NC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000477340389 515418116 /nfs/dbraw/zinc/41/81/16/515418116.db2.gz SUMWRXKPGMFACG-OLZOCXBDSA-N 1 0 357.414 2.630 20 5 FFBDRO CCOc1ccc(C(=O)N[C@@H]2C[N@H+](C)C[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000481714294 515435191 /nfs/dbraw/zinc/43/51/91/515435191.db2.gz NQZGTSPIJBFFKK-IAGOWNOFSA-N 1 0 369.421 2.821 20 5 FFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C1CCN(CCC(=O)N(C)C)CC1 ZINC000468639497 515449295 /nfs/dbraw/zinc/44/92/95/515449295.db2.gz RHTKURRVYHCVKV-SSZFMOIBSA-N 1 0 374.485 2.530 20 5 FFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C1CCC(S(C)(=O)=O)CC1 ZINC000468640393 515449642 /nfs/dbraw/zinc/44/96/42/515449642.db2.gz ICSFFJDOZUMXPA-JLHYYAGUSA-N 1 0 352.456 2.944 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000463426786 515491634 /nfs/dbraw/zinc/49/16/34/515491634.db2.gz QIQJZROMALORFV-MRXNPFEDSA-N 1 0 370.405 2.588 20 5 FFBDRO C[C@@H]([NH2+]C1(CNC(=O)c2cc([N+](=O)[O-])nn2C)CCCC1)c1ccccc1 ZINC000481898193 515504726 /nfs/dbraw/zinc/50/47/26/515504726.db2.gz VRLDBOQPFCBUFF-CQSZACIVSA-N 1 0 371.441 2.722 20 5 FFBDRO C[C@H](O)C[NH+]1CCC(CN(C)Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000492332868 515526639 /nfs/dbraw/zinc/52/66/39/515526639.db2.gz IMJYFXCZGBOOBY-ZDUSSCGKSA-N 1 0 355.866 2.773 20 5 FFBDRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1N)[NH+](C)C ZINC000510551403 515583776 /nfs/dbraw/zinc/58/37/76/515583776.db2.gz UFQSAZAHUYMYGQ-SCLBCKFNSA-N 1 0 356.426 2.907 20 5 FFBDRO COCC[C@@H](c1ccccc1)[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000459508624 515604342 /nfs/dbraw/zinc/60/43/42/515604342.db2.gz LYKOGPKAOQQCIM-KRWDZBQOSA-N 1 0 356.426 2.890 20 5 FFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCN(C(=O)c2cscn2)[C@@H](C)C1 ZINC000459512542 515606614 /nfs/dbraw/zinc/60/66/14/515606614.db2.gz JZKCXBQHQVWOKG-STQMWFEESA-N 1 0 360.439 2.959 20 5 FFBDRO CC(C)[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])C1(CO)CCCC1 ZINC000459520150 515615845 /nfs/dbraw/zinc/61/58/45/515615845.db2.gz CNCGVNZZNXPUIP-YJBOKZPZSA-N 1 0 366.458 2.501 20 5 FFBDRO CC(C)[C@@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])C1(CO)CCCC1 ZINC000459520148 515616224 /nfs/dbraw/zinc/61/62/24/515616224.db2.gz CNCGVNZZNXPUIP-MAUKXSAKSA-N 1 0 366.458 2.501 20 5 FFBDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3ccc(OC(F)F)c([N+](=O)[O-])c3)C2)C1 ZINC000505635133 515618710 /nfs/dbraw/zinc/61/87/10/515618710.db2.gz OBTPVCJBUAQMQJ-QGZVFWFLSA-N 1 0 369.368 2.754 20 5 FFBDRO CC(C)[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1(CO)CCCC1 ZINC000459532232 515626124 /nfs/dbraw/zinc/62/61/24/515626124.db2.gz OQSPBWWDRLGCMH-AEFFLSMTSA-N 1 0 366.458 2.501 20 5 FFBDRO COC(=O)c1cccc2c1CCN(Cc1ccc([N+](=O)[O-])cc1OC)C2 ZINC000459552573 515642790 /nfs/dbraw/zinc/64/27/90/515642790.db2.gz ZVNXVFRFHFMBRC-UHFFFAOYSA-N 1 0 356.378 2.948 20 5 FFBDRO COc1cc(C[NH2+]CCc2ccncc2)c([N+](=O)[O-])cc1OCC(F)F ZINC000493766570 515662887 /nfs/dbraw/zinc/66/28/87/515662887.db2.gz POGSDGFLDSGVQC-UHFFFAOYSA-N 1 0 367.352 2.975 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](C)c1cncc(F)c1 ZINC000459625804 515704355 /nfs/dbraw/zinc/70/43/55/515704355.db2.gz YVDNIMJMOCEFRA-NSHDSACASA-N 1 0 362.361 2.817 20 5 FFBDRO C[C@H]1[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1Cc1ccccc1 ZINC000494070188 515726341 /nfs/dbraw/zinc/72/63/41/515726341.db2.gz VOEDGIWECGYNNV-KXBFYZLASA-N 1 0 353.422 2.917 20 5 FFBDRO O=C1COc2ccccc2N1CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000478285316 515766777 /nfs/dbraw/zinc/76/67/77/515766777.db2.gz ZHQWDZSHEAGTTJ-UHFFFAOYSA-N 1 0 359.357 2.639 20 5 FFBDRO CN1C(=O)C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])[C@H]1c1ccc(F)c(F)c1 ZINC000494221737 515774360 /nfs/dbraw/zinc/77/43/60/515774360.db2.gz ZWLWKMUGWBWXDK-MAUKXSAKSA-N 1 0 361.348 2.935 20 5 FFBDRO CN1C(=O)C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(F)c(F)c1 ZINC000482730896 515784967 /nfs/dbraw/zinc/78/49/67/515784967.db2.gz HGHRPUQMNSXPPU-SJLPKXTDSA-N 1 0 361.348 2.935 20 5 FFBDRO CCCC[C@@H](C(=O)Nc1cc(C)on1)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000511122167 515791397 /nfs/dbraw/zinc/79/13/97/515791397.db2.gz HUSZJLYMFBDNCP-KRWDZBQOSA-N 1 0 374.441 2.985 20 5 FFBDRO C[NH+](C)[C@@H](C[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C1CCCCC1 ZINC000473912808 515799671 /nfs/dbraw/zinc/79/96/71/515799671.db2.gz RSCBYPHINLUSTQ-HNNXBMFYSA-N 1 0 373.450 2.523 20 5 FFBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC1([NH+](C)C)CCCCC1 ZINC000506196500 515812934 /nfs/dbraw/zinc/81/29/34/515812934.db2.gz ZCJNFRXRORGJFK-UHFFFAOYSA-N 1 0 369.487 2.700 20 5 FFBDRO C[C@H](CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000478526957 515858360 /nfs/dbraw/zinc/85/83/60/515858360.db2.gz DZEOGBAEUHENHF-HUUCEWRRSA-N 1 0 371.441 2.631 20 5 FFBDRO Cc1ccc([C@H](CNC(=O)COc2cccc([N+](=O)[O-])c2)[NH+]2CCCC2)o1 ZINC000506423328 515879054 /nfs/dbraw/zinc/87/90/54/515879054.db2.gz FSYDROVKMRSHMI-KRWDZBQOSA-N 1 0 373.409 2.828 20 5 FFBDRO Cc1ccsc1[C@@H](CO)[NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000494648762 515908497 /nfs/dbraw/zinc/90/84/97/515908497.db2.gz PVFXWDRXSXMBGX-GXTWGEPZSA-N 1 0 363.439 2.923 20 5 FFBDRO Cc1ccsc1[C@H](CO)[NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000494685170 515924249 /nfs/dbraw/zinc/92/42/49/515924249.db2.gz IQPNSSBLFXQJDT-AWEZNQCLSA-N 1 0 363.439 2.925 20 5 FFBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000511570552 515947963 /nfs/dbraw/zinc/94/79/63/515947963.db2.gz DSTJFUAZADVIQC-UHFFFAOYSA-N 1 0 362.474 2.899 20 5 FFBDRO C[C@@H]1C[C@H](NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000487819717 515991091 /nfs/dbraw/zinc/99/10/91/515991091.db2.gz QCAGYOWAQVDGCG-RISCZKNCSA-N 1 0 366.849 2.715 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N3CC[C@@H]4[NH2+]CC[C@H]4C3)cc2[N+](=O)[O-])C1 ZINC000494881056 515997265 /nfs/dbraw/zinc/99/72/65/515997265.db2.gz UTJODGAALXKHOQ-PVAVHDDUSA-N 1 0 372.469 2.655 20 5 FFBDRO CC[C@@H]([NH2+]Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)c1ccncc1 ZINC000474356685 516007833 /nfs/dbraw/zinc/00/78/33/516007833.db2.gz SGFBTFVPXKMZRY-OAHLLOKOSA-N 1 0 359.382 2.783 20 5 FFBDRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)Nc1ccncc1[N+](=O)[O-])[NH+](C)C ZINC000478949069 516016498 /nfs/dbraw/zinc/01/64/98/516016498.db2.gz HLQAXLIEBPYXCC-CXAGYDPISA-N 1 0 357.414 2.533 20 5 FFBDRO COc1cc(CN2CC[N@H+](C)[C@@H](C(C)C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000487948455 516045860 /nfs/dbraw/zinc/04/58/60/516045860.db2.gz DLRNHBAWPQCVHH-CQSZACIVSA-N 1 0 373.400 2.977 20 5 FFBDRO COCC[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@@H]1CCC[C@@H]1C ZINC000488075549 516107680 /nfs/dbraw/zinc/10/76/80/516107680.db2.gz ORWNDZLMNVGGEE-WMLDXEAASA-N 1 0 361.442 2.621 20 5 FFBDRO C[NH+](C)CCOc1cc(CNc2c3ccccc3ncc2[N+](=O)[O-])ccn1 ZINC000488103397 516117259 /nfs/dbraw/zinc/11/72/59/516117259.db2.gz RUZPNMJYCHMYGT-UHFFFAOYSA-N 1 0 367.409 2.512 20 5 FFBDRO C[C@@H](CO)[N@@H+]1CCCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000470131419 516134594 /nfs/dbraw/zinc/13/45/94/516134594.db2.gz GMQKFBJZWNDWAU-HNNXBMFYSA-N 1 0 359.426 2.743 20 5 FFBDRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000470237255 516180971 /nfs/dbraw/zinc/18/09/71/516180971.db2.gz MBGSEIXGSWTCRP-MRXNPFEDSA-N 1 0 361.442 2.554 20 5 FFBDRO CNC(=O)c1ccc(N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000474786227 516195367 /nfs/dbraw/zinc/19/53/67/516195367.db2.gz QNJHPJAKTRQTAR-KRWDZBQOSA-N 1 0 368.437 2.665 20 5 FFBDRO CC[NH+](CC)CC1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000488365853 516206441 /nfs/dbraw/zinc/20/64/41/516206441.db2.gz ZAEBDXNLLPGUKV-UHFFFAOYSA-N 1 0 362.474 2.611 20 5 FFBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@H](C)C1 ZINC000488715894 516293261 /nfs/dbraw/zinc/29/32/61/516293261.db2.gz BRBPHCLHAMHVMF-HEHGZKQESA-N 1 0 357.414 2.811 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000488748218 516299924 /nfs/dbraw/zinc/29/99/24/516299924.db2.gz KAQGBVBDNNWCTE-DVOMOZLQSA-N 1 0 361.442 2.856 20 5 FFBDRO Cc1n[nH]c(C(=O)NCC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000512570890 516307555 /nfs/dbraw/zinc/30/75/55/516307555.db2.gz WQMZFVWBSZUBJN-CZUORRHYSA-N 1 0 371.441 2.657 20 5 FFBDRO O=C(N1CCCC1)N1CCC[C@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000517586819 516376669 /nfs/dbraw/zinc/37/66/69/516376669.db2.gz VVPPQXIBJLIFDH-WMLDXEAASA-N 1 0 358.442 2.852 20 5 FFBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H](C)CC[NH+](C)C ZINC000550682797 516382347 /nfs/dbraw/zinc/38/23/47/516382347.db2.gz JUVTXSWKURAYTC-SECBINFHSA-N 1 0 358.236 2.736 20 5 FFBDRO COc1cc([C@@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)ccc1OCCO ZINC000561115043 516387243 /nfs/dbraw/zinc/38/72/43/516387243.db2.gz SVFXZJIRKVWRDU-CQSZACIVSA-N 1 0 360.410 2.868 20 5 FFBDRO CCCC[NH+]1CCC(Nc2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])CC1 ZINC000561135262 516400891 /nfs/dbraw/zinc/40/08/91/516400891.db2.gz DDEAHJMYAHQZLF-UHFFFAOYSA-N 1 0 350.419 2.761 20 5 FFBDRO C[NH+](C)CCN(CC1CCCCC1)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000517823400 516462417 /nfs/dbraw/zinc/46/24/17/516462417.db2.gz DLDBKJRGJYFFKV-UHFFFAOYSA-N 1 0 362.474 2.977 20 5 FFBDRO COc1ccc(C[NH2+]C[C@@H](O)Cc2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000554523617 516483774 /nfs/dbraw/zinc/48/37/74/516483774.db2.gz VGZIYQJBDAEAND-HNNXBMFYSA-N 1 0 350.802 2.950 20 5 FFBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000523532477 516498719 /nfs/dbraw/zinc/49/87/19/516498719.db2.gz NYITXQWEYIYDDY-NSHDSACASA-N 1 0 370.247 2.817 20 5 FFBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000558025802 516555349 /nfs/dbraw/zinc/55/53/49/516555349.db2.gz PJABPCLXYPXXEH-UXLLHSPISA-N 1 0 361.442 2.552 20 5 FFBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)NCC(=O)c2cccs2)cc1[N+](=O)[O-] ZINC000540480125 516575658 /nfs/dbraw/zinc/57/56/58/516575658.db2.gz HCMYPIQXVZNSTH-LBPRGKRZSA-N 1 0 361.423 2.614 20 5 FFBDRO CN(c1ccccc1)c1ccc(C[NH2+]C2(CO)CCOCC2)cc1[N+](=O)[O-] ZINC000523842382 516590902 /nfs/dbraw/zinc/59/09/02/516590902.db2.gz ZGCKCQRPEWMLKI-UHFFFAOYSA-N 1 0 371.437 2.994 20 5 FFBDRO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)C1CCOCC1 ZINC000540522728 516599608 /nfs/dbraw/zinc/59/96/08/516599608.db2.gz WIFMGWGMUHSFBM-IUODEOHRSA-N 1 0 365.430 2.725 20 5 FFBDRO C[N@@H+]1CC[C@@H](NC(=O)NCCc2cccc([N+](=O)[O-])c2)[C@H]1c1ccccc1 ZINC000536193840 516670851 /nfs/dbraw/zinc/67/08/51/516670851.db2.gz ULNOVEBZFLGNOY-RTBURBONSA-N 1 0 368.437 2.882 20 5 FFBDRO C[C@H](CCNC(=O)NCCOc1ccc([N+](=O)[O-])cc1)[NH+]1CCCCC1 ZINC000544299747 516686941 /nfs/dbraw/zinc/68/69/41/516686941.db2.gz NLGSVIPTRMTIBN-OAHLLOKOSA-N 1 0 364.446 2.537 20 5 FFBDRO CN(c1ccccc1)c1ccc(C[NH2+]C[C@@H]2COCCO2)cc1[N+](=O)[O-] ZINC000513614432 516690039 /nfs/dbraw/zinc/69/00/39/516690039.db2.gz ZRVACAISYNDLFE-QGZVFWFLSA-N 1 0 357.410 2.868 20 5 FFBDRO CC(=O)N1C[C@@H]2CCC[C@@H](Nc3cc(C)[nH+]c4ccc([N+](=O)[O-])cc34)[C@@H]2C1 ZINC000561700541 516722173 /nfs/dbraw/zinc/72/21/73/516722173.db2.gz IPSKDMJWANGZSH-BMGDILEWSA-N 1 0 368.437 2.932 20 5 FFBDRO CCC[N@H+](CC)C[C@@H](C)NS(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000558479741 516766771 /nfs/dbraw/zinc/76/67/71/516766771.db2.gz QTOCFGDPKKUOJC-CYBMUJFWSA-N 1 0 357.476 2.610 20 5 FFBDRO COc1cc(C[N@H+](C)C2CCOCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000540914222 516770314 /nfs/dbraw/zinc/77/03/14/516770314.db2.gz LSAUOBQAXMYFQX-UHFFFAOYSA-N 1 0 360.357 2.858 20 5 FFBDRO [NH3+]CCC1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000518787680 516776149 /nfs/dbraw/zinc/77/61/49/516776149.db2.gz UFTUJKJPURZATR-UHFFFAOYSA-N 1 0 356.220 2.558 20 5 FFBDRO C[C@@H]1CC[N@H+](CCNC(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC000524721347 516803403 /nfs/dbraw/zinc/80/34/03/516803403.db2.gz QPSOOTMGPGGGCO-JKSUJKDBSA-N 1 0 374.485 2.903 20 5 FFBDRO CSC1(CNC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)CC[NH+](C)CC1 ZINC000558555958 516805787 /nfs/dbraw/zinc/80/57/87/516805787.db2.gz WGVFZDLULPGOLR-ZDUSSCGKSA-N 1 0 351.472 2.642 20 5 FFBDRO C[C@@H]1CC[C@]2(CC[N@@H+]([C@H]3CC(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)C2)C1 ZINC000540977321 516812868 /nfs/dbraw/zinc/81/28/68/516812868.db2.gz HQKVGPVGTWTIJX-AZOIQLNYSA-N 1 0 357.410 2.739 20 5 FFBDRO CC(C)[NH+]1CCC(N(C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000514005358 516830055 /nfs/dbraw/zinc/83/00/55/516830055.db2.gz HYSCKRHHFTZCNZ-UHFFFAOYSA-N 1 0 359.430 2.949 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000541035871 516839878 /nfs/dbraw/zinc/83/98/78/516839878.db2.gz GOKPNXKBKJJDBF-YPMHNXCESA-N 1 0 371.384 2.999 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]1C ZINC000524881121 516859407 /nfs/dbraw/zinc/85/94/07/516859407.db2.gz UTVCOVPJZIOBRY-RHSMWYFYSA-N 1 0 371.441 2.725 20 5 FFBDRO CC[C@@H]([NH2+]CCN1CCN(C(=O)C2CCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000536865117 516956823 /nfs/dbraw/zinc/95/68/23/516956823.db2.gz RZPGITCLKFDEIE-LJQANCHMSA-N 1 0 374.485 2.580 20 5 FFBDRO Nc1nccc(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)c1[N+](=O)[O-] ZINC000548412251 516967172 /nfs/dbraw/zinc/96/71/72/516967172.db2.gz RLOUXXQLPJBRDY-UHFFFAOYSA-N 1 0 369.425 2.683 20 5 FFBDRO C[C@@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1c(F)cccc1F ZINC000541324194 516991308 /nfs/dbraw/zinc/99/13/08/516991308.db2.gz SZDDKJLEGQXGMO-NEPJUHHUSA-N 1 0 352.337 2.964 20 5 FFBDRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNc1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000514747417 517036315 /nfs/dbraw/zinc/03/63/15/517036315.db2.gz TVIJXDOCSIYOFS-NSHDSACASA-N 1 0 361.229 2.653 20 5 FFBDRO CNC(=O)COc1cccc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000552086561 517072218 /nfs/dbraw/zinc/07/22/18/517072218.db2.gz KBACJVYBESKARJ-AWEZNQCLSA-N 1 0 357.410 2.879 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCC[N@H+](C)C1CCCCC1 ZINC000541524588 517093297 /nfs/dbraw/zinc/09/32/97/517093297.db2.gz LIFUVTFXNYJVNS-UHFFFAOYSA-N 1 0 364.446 2.667 20 5 FFBDRO O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000555760963 517108759 /nfs/dbraw/zinc/10/87/59/517108759.db2.gz KIKHMKZOODTFCN-LBPRGKRZSA-N 1 0 357.332 2.924 20 5 FFBDRO Cn1ccnc1[C@H](NC1CC[NH+](CC2CC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000552239916 517156246 /nfs/dbraw/zinc/15/62/46/517156246.db2.gz AJVIZKJVHJDTIC-LJQANCHMSA-N 1 0 369.469 2.882 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)c1 ZINC000541815556 517229267 /nfs/dbraw/zinc/22/92/67/517229267.db2.gz GUTWQAMXXLJXGF-AWEZNQCLSA-N 1 0 369.487 2.562 20 5 FFBDRO COc1ccc(CC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1[N+](=O)[O-] ZINC000532991012 517241358 /nfs/dbraw/zinc/24/13/58/517241358.db2.gz CVSQWZHDWXAWST-WBVHZDCISA-N 1 0 373.453 2.621 20 5 FFBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000520134281 517281258 /nfs/dbraw/zinc/28/12/58/517281258.db2.gz SOCATABYVUPLCN-CQSZACIVSA-N 1 0 369.487 2.556 20 5 FFBDRO Cc1c(CC(=O)Nc2cccc(C[N@@H+]3CC[C@@H](O)C3)c2)cccc1[N+](=O)[O-] ZINC000552518252 517293243 /nfs/dbraw/zinc/29/32/43/517293243.db2.gz XRFYAHLLARCDMM-GOSISDBHSA-N 1 0 369.421 2.651 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])c(N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)n1 ZINC000541935032 517299314 /nfs/dbraw/zinc/29/93/14/517299314.db2.gz HKEODWNFEOMPIZ-ZWKOTPCHSA-N 1 0 370.453 2.902 20 5 FFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000526046919 517311411 /nfs/dbraw/zinc/31/14/11/517311411.db2.gz HGQUUPHZVPVQLI-ZMRGCFQXSA-N 1 0 352.456 2.944 20 5 FFBDRO C[NH+]1CCN(c2ccc(NC/C=C\c3ccccc3[N+](=O)[O-])cn2)CC1 ZINC000537758729 517330474 /nfs/dbraw/zinc/33/04/74/517330474.db2.gz CYGNINPPKGZCHP-XQRVVYSFSA-N 1 0 353.426 2.867 20 5 FFBDRO CCC[NH+]1CCC(CNC(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000542029785 517347003 /nfs/dbraw/zinc/34/70/03/517347003.db2.gz VKCOKXGWTFKMGU-UHFFFAOYSA-N 1 0 350.419 2.847 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000542043105 517355843 /nfs/dbraw/zinc/35/58/43/517355843.db2.gz XDDBJMJISCALQH-UHFFFAOYSA-N 1 0 369.421 2.746 20 5 FFBDRO CCC[C@@H]1CN(c2cccc(OCC)c2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000545872691 517407380 /nfs/dbraw/zinc/40/73/80/517407380.db2.gz OWOSVVCHFWEUHG-OAHLLOKOSA-N 1 0 351.447 2.931 20 5 FFBDRO Cc1nc2ccccn2c(=O)c1CC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000559778407 517423830 /nfs/dbraw/zinc/42/38/30/517423830.db2.gz RNDPVXXNHPNLJK-UHFFFAOYSA-N 1 0 352.394 2.586 20 5 FFBDRO CN1CCN([C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)c2cccs2)CC1 ZINC000559888802 517472162 /nfs/dbraw/zinc/47/21/62/517472162.db2.gz WAYWOQOQZXHDRI-KRWDZBQOSA-N 1 0 360.483 2.735 20 5 FFBDRO C[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)CCc1ccccc1O ZINC000542320985 517504419 /nfs/dbraw/zinc/50/44/19/517504419.db2.gz UWSWSQJNQGPZMK-UHFFFAOYSA-N 1 0 371.393 2.773 20 5 FFBDRO CCc1noc(C)c1CNc1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000516094543 517563287 /nfs/dbraw/zinc/56/32/87/517563287.db2.gz RSCGNOAZZNGMNS-UHFFFAOYSA-N 1 0 360.414 2.898 20 5 FFBDRO C[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1)[N@@H+]1CCc2ccccc2C1 ZINC000520975356 517565541 /nfs/dbraw/zinc/56/55/41/517565541.db2.gz RYRWOCMEBHRTCE-CYBMUJFWSA-N 1 0 357.385 2.911 20 5 FFBDRO Cc1cc(N[C@H](C)CN2CC[NH+](C)CC2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000549488612 517586553 /nfs/dbraw/zinc/58/65/53/517586553.db2.gz AHGFDDGQTYARRY-GFCCVEGCSA-N 1 0 360.380 2.970 20 5 FFBDRO Cc1nn(C)c(-c2nc(-c3cccc(C[NH+]4CCCC4)c3)no2)c1[N+](=O)[O-] ZINC000546386834 517661304 /nfs/dbraw/zinc/66/13/04/517661304.db2.gz KGCPGXKHNZWYEO-UHFFFAOYSA-N 1 0 368.397 2.950 20 5 FFBDRO CCS[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000521426450 517723971 /nfs/dbraw/zinc/72/39/71/517723971.db2.gz BORVBGQPPFLEIQ-QLFBSQMISA-N 1 0 354.472 2.988 20 5 FFBDRO C[C@H]1CN(C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C[C@H](C)[NH2+]1 ZINC000521433789 517730681 /nfs/dbraw/zinc/73/06/81/517730681.db2.gz YNHLCOXXQDKDEC-QWRGUYRKSA-N 1 0 371.387 2.782 20 5 FFBDRO C[C@H]([NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])C1(S(C)(=O)=O)CC1 ZINC000556925311 517751502 /nfs/dbraw/zinc/75/15/02/517751502.db2.gz PKOJSYBXHAWJEU-OFQRWUPVSA-N 1 0 366.483 2.861 20 5 FFBDRO C[C@@H]1C[C@H](NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC000542852639 517783010 /nfs/dbraw/zinc/78/30/10/517783010.db2.gz OBYWXDDGLPDZIY-KOLCDFICSA-N 1 0 355.341 2.551 20 5 FFBDRO CC(C)N(CC[NH+]1CCCCCC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000553559862 517783917 /nfs/dbraw/zinc/78/39/17/517783917.db2.gz RCPQBFRTQDZSTC-UHFFFAOYSA-N 1 0 369.487 2.870 20 5 FFBDRO CNc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccccc2F)cc1[N+](=O)[O-] ZINC000521587512 517788048 /nfs/dbraw/zinc/78/80/48/517788048.db2.gz BIJXVYBZVGFZPG-UHFFFAOYSA-N 1 0 374.416 2.980 20 5 FFBDRO C[C@H](CNC(=O)N(C)CCc1ccccc1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000553602760 517805881 /nfs/dbraw/zinc/80/58/81/517805881.db2.gz OKQBWKSTALCTCE-MRXNPFEDSA-N 1 0 362.474 2.901 20 5 FFBDRO O=C(CCc1cccc([N+](=O)[O-])c1)Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1 ZINC000557025567 517811149 /nfs/dbraw/zinc/81/11/49/517811149.db2.gz QEFXOKMEBYVMOB-IBGZPJMESA-N 1 0 369.421 2.733 20 5 FFBDRO CCOc1cccc(NCCC[NH+]2CCC(C(=O)OC)CC2)c1[N+](=O)[O-] ZINC000516860231 517876977 /nfs/dbraw/zinc/87/69/77/517876977.db2.gz SAUKSVTYTVRVLN-UHFFFAOYSA-N 1 0 365.430 2.681 20 5 FFBDRO CCC[C@@H]([NH2+]CCS(=O)(=O)NC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000539045945 517895705 /nfs/dbraw/zinc/89/57/05/517895705.db2.gz CVERYGNPMYPYLR-OAHLLOKOSA-N 1 0 357.476 2.744 20 5 FFBDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@@H](C)C1 ZINC000553783339 517901360 /nfs/dbraw/zinc/90/13/60/517901360.db2.gz OZMWPIGUTHHVIB-NJSLBKSFSA-N 1 0 370.453 2.807 20 5 FFBDRO Cc1nccn1C[C@H](C)C[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000539068139 517901234 /nfs/dbraw/zinc/90/12/34/517901234.db2.gz MCYZCBOCMUOTDH-ZIAGYGMSSA-N 1 0 359.430 2.743 20 5 FFBDRO C[NH+](C)[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)c1ccc(Cl)cc1 ZINC000530676753 517917038 /nfs/dbraw/zinc/91/70/38/517917038.db2.gz RCNWNSNDBKOWNE-HNNXBMFYSA-N 1 0 362.817 2.863 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000553812828 517918109 /nfs/dbraw/zinc/91/81/09/517918109.db2.gz AKTOAQGFNKMENA-CVEARBPZSA-N 1 0 363.458 2.909 20 5 FFBDRO CC[N@H+](CCc1cccs1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000543131971 517923498 /nfs/dbraw/zinc/92/34/98/517923498.db2.gz IJZAQXCSVYPLSI-AWEZNQCLSA-N 1 0 350.440 2.961 20 5 FFBDRO C[C@H]([C@H]1Cc2ccccc2O1)[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000543136559 517926748 /nfs/dbraw/zinc/92/67/48/517926748.db2.gz HNVZZXQKYIOJIL-PTSWNOGYSA-N 1 0 372.421 2.659 20 5 FFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](CC(N)=O)c1ccccc1 ZINC000560608031 517927227 /nfs/dbraw/zinc/92/72/27/517927227.db2.gz CVTZYQFXHCEILM-SUMWQHHRSA-N 1 0 370.409 2.518 20 5 FFBDRO Cc1ccc(CN(CC[NH+](C)C)C(=O)NCCc2cccc([N+](=O)[O-])c2)o1 ZINC000534721489 518011564 /nfs/dbraw/zinc/01/15/64/518011564.db2.gz VYNGYMVVRPDFTK-UHFFFAOYSA-N 1 0 374.441 2.812 20 5 FFBDRO Cn1c(C(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)ccc1[N+](=O)[O-] ZINC000560768730 518015703 /nfs/dbraw/zinc/01/57/03/518015703.db2.gz MACZYZKRFKYZBS-HXUWFJFHSA-N 1 0 368.437 2.672 20 5 FFBDRO CCN(CC)C(=O)CCC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000563679638 518063186 /nfs/dbraw/zinc/06/31/86/518063186.db2.gz QELLIDLRPADICT-LSDHHAIUSA-N 1 0 351.451 2.513 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000539502770 518079781 /nfs/dbraw/zinc/07/97/81/518079781.db2.gz VYMOUFKAFWQTIQ-HZPDHXFCSA-N 1 0 363.458 2.909 20 5 FFBDRO CC[NH+](CC)Cc1cccc(NC(=O)c2ccnc(NC)c2[N+](=O)[O-])c1 ZINC000563704913 518080065 /nfs/dbraw/zinc/08/00/65/518080065.db2.gz BCYSFQFEAOOJJQ-UHFFFAOYSA-N 1 0 357.414 2.548 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c1 ZINC000539527245 518088596 /nfs/dbraw/zinc/08/85/96/518088596.db2.gz DHSNPCJVFYWNLO-AWEZNQCLSA-N 1 0 351.447 2.765 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CCOc2ccccc2Cl)c1 ZINC000517359924 518127803 /nfs/dbraw/zinc/12/78/03/518127803.db2.gz WTYNKPZWXURDIT-AWEZNQCLSA-N 1 0 366.801 2.657 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCC2(SC)CC[NH+](C)CC2)c1 ZINC000575376793 518207076 /nfs/dbraw/zinc/20/70/76/518207076.db2.gz JJXMOBJLCRWRFV-UHFFFAOYSA-N 1 0 353.444 2.621 20 5 FFBDRO CC(C)Cc1ccc([C@H](CNC(=O)c2nn(C)cc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000581390525 518261645 /nfs/dbraw/zinc/26/16/45/518261645.db2.gz RYVNCIPQJLXWJJ-INIZCTEOSA-N 1 0 373.457 2.560 20 5 FFBDRO O=C(CC[NH2+]CCOc1ccc(Cl)cn1)Nc1ccccc1[N+](=O)[O-] ZINC000564076897 518296038 /nfs/dbraw/zinc/29/60/38/518296038.db2.gz ILRRAZQEUVEYHA-UHFFFAOYSA-N 1 0 364.789 2.640 20 5 FFBDRO Cc1nn(C)c2ncc(C[NH2+]CCc3c[nH]c4ccc([N+](=O)[O-])cc34)cc12 ZINC000564123309 518314688 /nfs/dbraw/zinc/31/46/88/518314688.db2.gz HMAIJSDWYWHNDY-UHFFFAOYSA-N 1 0 364.409 2.999 20 5 FFBDRO CN(C)c1ccccc1CN(C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000584433624 518338822 /nfs/dbraw/zinc/33/88/22/518338822.db2.gz JHZURGUSMSQUCD-UHFFFAOYSA-N 1 0 356.426 2.756 20 5 FFBDRO CC1CC[NH+](C[C@@H]2CCCN(c3cccc(C(N)=O)c3[N+](=O)[O-])C2)CC1 ZINC000581565479 518348555 /nfs/dbraw/zinc/34/85/55/518348555.db2.gz QUPFKENFWDONAJ-HNNXBMFYSA-N 1 0 360.458 2.642 20 5 FFBDRO Cc1cc(S(=O)(=O)NCc2ccc([C@H](C)[NH3+])cc2)c(C)cc1[N+](=O)[O-] ZINC000564348029 518410671 /nfs/dbraw/zinc/41/06/71/518410671.db2.gz IMISVSAWDNJVOM-ZDUSSCGKSA-N 1 0 363.439 2.710 20 5 FFBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000576148144 518451363 /nfs/dbraw/zinc/45/13/63/518451363.db2.gz IXCSBQGLXKRXRQ-MRXNPFEDSA-N 1 0 369.874 2.942 20 5 FFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](CO)C1CCOCC1 ZINC000581845090 518464362 /nfs/dbraw/zinc/46/43/62/518464362.db2.gz LFIGEJTVHPXTDR-HUUCEWRRSA-N 1 0 354.472 2.843 20 5 FFBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000584774980 518471411 /nfs/dbraw/zinc/47/14/11/518471411.db2.gz XVUCVPTWSJUJMC-FUHWJXTLSA-N 1 0 370.453 2.746 20 5 FFBDRO CCOc1cccc([C@@H]2C[C@H]2[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000567346644 518477106 /nfs/dbraw/zinc/47/71/06/518477106.db2.gz SKFZNFPNGFFPAD-RYQLBKOJSA-N 1 0 372.421 2.879 20 5 FFBDRO [NH3+]CCCN(CC1CCCC1)C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000579005410 518478078 /nfs/dbraw/zinc/47/80/78/518478078.db2.gz JTQWQKZFXYQXDX-UHFFFAOYSA-N 1 0 371.441 2.762 20 5 FFBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])C[C@H]21 ZINC000573083531 518499871 /nfs/dbraw/zinc/49/98/71/518499871.db2.gz YNNTVLMLVXLMGP-OASPWFOLSA-N 1 0 357.332 2.813 20 5 FFBDRO Cc1ccc([C@H](C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])N(C)C)cc1 ZINC000579111164 518527035 /nfs/dbraw/zinc/52/70/35/518527035.db2.gz VGLGRIOTDIYSBP-MJGOQNOKSA-N 1 0 373.453 2.535 20 5 FFBDRO Cc1cc(NC[C@H](O)COc2ccccc2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000579155009 518546220 /nfs/dbraw/zinc/54/62/20/518546220.db2.gz ZXVUCJIGOLPENF-HNNXBMFYSA-N 1 0 353.378 2.725 20 5 FFBDRO O=[N+]([O-])c1ccc(CC[N@H+](Cc2ccccc2)[C@]2(CO)CCOC2)cc1 ZINC000585718544 518574413 /nfs/dbraw/zinc/57/44/13/518574413.db2.gz KUTUSPJIHIWYPO-FQEVSTJZSA-N 1 0 356.422 2.791 20 5 FFBDRO C[N@@H+]1CC[C@@H]2OCCN(c3ccc([N+](=O)[O-])c(-c4ccc(F)cc4)n3)[C@H]2C1 ZINC000585783610 518596150 /nfs/dbraw/zinc/59/61/50/518596150.db2.gz KQEBSEGZCLRTHT-IRXDYDNUSA-N 1 0 372.400 2.705 20 5 FFBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000564754287 518597882 /nfs/dbraw/zinc/59/78/82/518597882.db2.gz KKADDFZGFWDQTE-JTDSTZFVSA-N 1 0 374.485 2.895 20 5 FFBDRO CCC(CC)Nc1cc[nH+]cc1NC(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000579288829 518608331 /nfs/dbraw/zinc/60/83/31/518608331.db2.gz PGGBPGDFFJZFLF-UHFFFAOYSA-N 1 0 374.445 2.854 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CCc2cccc3[nH]ccc32)c1 ZINC000567606636 518610809 /nfs/dbraw/zinc/61/08/09/518610809.db2.gz ZYGGBHXBFDYNON-INIZCTEOSA-N 1 0 355.394 2.648 20 5 FFBDRO CCC[N@H+](CC)C[C@H](C)Nc1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000579300749 518612747 /nfs/dbraw/zinc/61/27/47/518612747.db2.gz XZOOCDVGTQKKIU-INIZCTEOSA-N 1 0 364.490 2.959 20 5 FFBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000567672734 518645121 /nfs/dbraw/zinc/64/51/21/518645121.db2.gz HJQPHMZUWCBMIG-ZETOZRRWSA-N 1 0 360.439 2.835 20 5 FFBDRO Cc1ccc2c(c1C)OC[C@H]2[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000567679018 518649690 /nfs/dbraw/zinc/64/96/90/518649690.db2.gz IEWOYNYRXFCXGO-GOEBONIOSA-N 1 0 358.394 2.675 20 5 FFBDRO Cc1cc([NH+]2CCCCCC2)ccc1NC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000564868556 518663701 /nfs/dbraw/zinc/66/37/01/518663701.db2.gz TXLRODNYSQFVJE-SFHVURJKSA-N 1 0 373.457 2.953 20 5 FFBDRO CC[NH+](CC)CCC[C@H](C)Nc1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C ZINC000586944709 518673903 /nfs/dbraw/zinc/67/39/03/518673903.db2.gz MNIQYGXLLKOEGD-ZDUSSCGKSA-N 1 0 363.462 2.708 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC([N@H+](C)Cc2ccccc2)C1 ZINC000587991278 518693778 /nfs/dbraw/zinc/69/37/78/518693778.db2.gz RHUCGQYJLFOJDC-UHFFFAOYSA-N 1 0 355.394 2.560 20 5 FFBDRO O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000570651521 518711717 /nfs/dbraw/zinc/71/17/17/518711717.db2.gz RSTFVUBGCQFHLP-GFCCVEGCSA-N 1 0 374.363 2.700 20 5 FFBDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3Cl)[C@@H]2C1 ZINC000579519502 518719284 /nfs/dbraw/zinc/71/92/84/518719284.db2.gz MBSKCMFOYHRANX-LXZKKBNFSA-N 1 0 351.834 2.985 20 5 FFBDRO C[NH2+]C1CCN(C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)CC1 ZINC000567828892 518734319 /nfs/dbraw/zinc/73/43/19/518734319.db2.gz QGTVUIRXRWLWQU-UHFFFAOYSA-N 1 0 371.387 2.784 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2nc(CN3CC[NH2+]C[C@H]3C(F)F)cs2)c1 ZINC000567871021 518758802 /nfs/dbraw/zinc/75/88/02/518758802.db2.gz JBQTYCVWZPVNOR-ZDUSSCGKSA-N 1 0 354.382 2.757 20 5 FFBDRO COc1cc(C(=O)N[C@@H](C[NH+](C)C)c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000573637766 518762283 /nfs/dbraw/zinc/76/22/83/518762283.db2.gz GLLUFOKGRJDLBV-HNNXBMFYSA-N 1 0 361.373 2.775 20 5 FFBDRO Cc1c(NC(=O)[C@@H](C)N2CCC([C@H]3CC[NH2+]C3)CC2)cccc1[N+](=O)[O-] ZINC000567899816 518775411 /nfs/dbraw/zinc/77/54/11/518775411.db2.gz XZTUVTZILCPDDS-ZBFHGGJFSA-N 1 0 360.458 2.552 20 5 FFBDRO O=C(c1cc(C(F)(F)F)ccc1[N+](=O)[O-])N1CC[C@H]([NH+]2CCCC2)C1 ZINC000582586591 518824687 /nfs/dbraw/zinc/82/46/87/518824687.db2.gz SXGNBAWJIVKZRV-LBPRGKRZSA-N 1 0 357.332 2.924 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000576957811 518847397 /nfs/dbraw/zinc/84/73/97/518847397.db2.gz SWCNXSNQQLGBST-KRWDZBQOSA-N 1 0 363.458 2.680 20 5 FFBDRO Cc1ccc2c(c1C)OC[C@@H]2[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000573834269 518857829 /nfs/dbraw/zinc/85/78/29/518857829.db2.gz WEFMUUPWJPGSQG-QAPCUYQASA-N 1 0 358.394 2.675 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CCc1cc(F)c(F)c(F)c1 ZINC000582661801 518863681 /nfs/dbraw/zinc/86/36/81/518863681.db2.gz DVIFYPAACNRCFM-LBPRGKRZSA-N 1 0 370.327 2.584 20 5 FFBDRO CC(C)(C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1Cl ZINC000565359315 518917370 /nfs/dbraw/zinc/91/73/70/518917370.db2.gz UAQVWEGVXIYKNM-ZDUSSCGKSA-N 1 0 370.812 2.512 20 5 FFBDRO CC(C)c1ccc(C(=O)N(C)CCC[N@H+](C)CCN(C)C)cc1[N+](=O)[O-] ZINC000565388278 518929169 /nfs/dbraw/zinc/92/91/69/518929169.db2.gz ZUWILRXKRNUJRV-UHFFFAOYSA-N 1 0 364.490 2.674 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000582807919 518932249 /nfs/dbraw/zinc/93/22/49/518932249.db2.gz MGJINXAHSZODNP-ZBEGNZNMSA-N 1 0 355.385 2.604 20 5 FFBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cccc(NS(C)(=O)=O)c1 ZINC000589183886 518944959 /nfs/dbraw/zinc/94/49/59/518944959.db2.gz VKCGNPKDMXDBIF-UHFFFAOYSA-N 1 0 363.439 2.641 20 5 FFBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]Cc3ccc(-n4cncn4)cc3)c2c1 ZINC000580003022 518957756 /nfs/dbraw/zinc/95/77/56/518957756.db2.gz CMOOZHNDNSAUCK-UHFFFAOYSA-N 1 0 362.393 2.989 20 5 FFBDRO CC[C@H](C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)OC ZINC000582874070 518961795 /nfs/dbraw/zinc/96/17/95/518961795.db2.gz BGCLBBZJPDZYQY-GFCCVEGCSA-N 1 0 364.183 2.714 20 5 FFBDRO CCCC[C@@H](C)[C@@H](C)[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000565503668 518988802 /nfs/dbraw/zinc/98/88/02/518988802.db2.gz ZPWDTQIENKNBKC-ZIAGYGMSSA-N 1 0 357.476 2.678 20 5 FFBDRO CC(C)Cc1ccc([C@@H](CNC(=O)c2c([N+](=O)[O-])cnn2C)[NH+](C)C)cc1 ZINC000565562668 519018421 /nfs/dbraw/zinc/01/84/21/519018421.db2.gz WQCCRLYPCJSHOF-MRXNPFEDSA-N 1 0 373.457 2.560 20 5 FFBDRO COCC[NH+]1CCC(N[C@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)CC1 ZINC000583029301 519043515 /nfs/dbraw/zinc/04/35/15/519043515.db2.gz KPEDZIUYZAIDQD-OAHLLOKOSA-N 1 0 361.364 2.899 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000571385218 519069345 /nfs/dbraw/zinc/06/93/45/519069345.db2.gz HYHJBOHAUZGFPM-ZDUSSCGKSA-N 1 0 350.419 2.845 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](O)COc1cccc2[nH]ccc21 ZINC000565711781 519094406 /nfs/dbraw/zinc/09/44/06/519094406.db2.gz GXIBABAQRBTPOP-HNNXBMFYSA-N 1 0 371.393 2.614 20 5 FFBDRO C[C@H](CN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000565732701 519105406 /nfs/dbraw/zinc/10/54/06/519105406.db2.gz VXHQVZUKNREQFF-QAPCUYQASA-N 1 0 357.458 2.739 20 5 FFBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000590456710 519238352 /nfs/dbraw/zinc/23/83/52/519238352.db2.gz GLTOGPWGMNMRGS-HDMKZQKVSA-N 1 0 360.458 2.586 20 5 FFBDRO COc1cccc(O[C@@H](C)C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000568872882 519261706 /nfs/dbraw/zinc/26/17/06/519261706.db2.gz BOSGYXUESCJJOV-AWEZNQCLSA-N 1 0 373.409 2.989 20 5 FFBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([NH+](C)C)[C@@H]1C ZINC000590567154 519268526 /nfs/dbraw/zinc/26/85/26/519268526.db2.gz YFDBZHQPSZFUAZ-IINYFYTJSA-N 1 0 370.247 2.830 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000590599090 519283671 /nfs/dbraw/zinc/28/36/71/519283671.db2.gz AAJCNIQSDXBRAU-HZPDHXFCSA-N 1 0 357.410 2.609 20 5 FFBDRO CC(C)[N@@H+](C)C[C@H](C)Nc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000568939556 519292143 /nfs/dbraw/zinc/29/21/43/519292143.db2.gz MAKLFGNFGBJDBX-ZDUSSCGKSA-N 1 0 359.430 2.700 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)c1 ZINC000590656887 519304767 /nfs/dbraw/zinc/30/47/67/519304767.db2.gz FSEXDIZUDBNOHP-JQHSSLGASA-N 1 0 362.426 2.897 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000580709959 519314512 /nfs/dbraw/zinc/31/45/12/519314512.db2.gz IJKISXOCWLYBQL-LMMKCTJWSA-N 1 0 372.421 2.844 20 5 FFBDRO O=C(CC[NH2+][C@H]1CCO[C@H](c2ccncc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000566119762 519315461 /nfs/dbraw/zinc/31/54/61/519315461.db2.gz CGWPLJCVZXGFNV-YJBOKZPZSA-N 1 0 370.409 2.828 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)Cc1ccc(C)cn1 ZINC000590754408 519351400 /nfs/dbraw/zinc/35/14/00/519351400.db2.gz FVUMULVKTVIBBF-UHFFFAOYSA-N 1 0 358.398 2.767 20 5 FFBDRO C[C@@H]1CN(C(=O)c2cc(F)cc3c2[nH]c2ccc(F)cc2c3=O)CC[C@H]1[NH3+] ZINC000566201295 519365813 /nfs/dbraw/zinc/36/58/13/519365813.db2.gz OLYXLBQJSJJVAZ-QLJPJBMISA-N 1 0 371.387 2.769 20 5 FFBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000590800334 519378104 /nfs/dbraw/zinc/37/81/04/519378104.db2.gz BBKJXSQLFAXYKV-UHFFFAOYSA-N 1 0 350.463 2.906 20 5 FFBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000590926383 519437771 /nfs/dbraw/zinc/43/77/71/519437771.db2.gz OGIPBPXYRCMRHV-SJLPKXTDSA-N 1 0 360.458 2.968 20 5 FFBDRO C[C@@H](C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH+]1CCCCCC1 ZINC000583903928 519492355 /nfs/dbraw/zinc/49/23/55/519492355.db2.gz SJNDFBYLEXPKFE-AWEZNQCLSA-N 1 0 358.442 2.999 20 5 FFBDRO CCc1n[nH]c(C(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000583969185 519521595 /nfs/dbraw/zinc/52/15/95/519521595.db2.gz ROVGGEXEZZIKDH-CYBMUJFWSA-N 1 0 365.821 2.566 20 5 FFBDRO NC(=O)C1CC[NH+](Cc2ccc(CNc3ccc([N+](=O)[O-])s3)cc2)CC1 ZINC000591198548 519544808 /nfs/dbraw/zinc/54/48/08/519544808.db2.gz OKULDCPMBRAPRQ-UHFFFAOYSA-N 1 0 374.466 2.966 20 5 FFBDRO COc1ccc(NC(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000591297647 519579547 /nfs/dbraw/zinc/57/95/47/519579547.db2.gz VVVJZOAYRHTUPB-UONOGXRCSA-N 1 0 362.430 2.847 20 5 FFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000591402563 519617432 /nfs/dbraw/zinc/61/74/32/519617432.db2.gz WOVJQOBTBZMUSX-DZGCQCFKSA-N 1 0 359.348 2.649 20 5 FFBDRO C[N@@H+]1CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]1C(C)(C)C ZINC000602874175 519941676 /nfs/dbraw/zinc/94/16/76/519941676.db2.gz OWWOYYNVLXZICZ-OAHLLOKOSA-N 1 0 359.430 2.807 20 5 FFBDRO CCn1nc(C)c(C[N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)c1C ZINC000602924068 519974013 /nfs/dbraw/zinc/97/40/13/519974013.db2.gz BLYRTPFATWPYER-UHFFFAOYSA-N 1 0 359.430 2.889 20 5 FFBDRO CCC1([NH+](C)C)CCN(CCOc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000602967719 519998422 /nfs/dbraw/zinc/99/84/22/519998422.db2.gz PJKOOKKMKMUFEM-UHFFFAOYSA-N 1 0 351.447 2.788 20 5 FFBDRO CCC[NH+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2CC2)CC1 ZINC000597406217 520006837 /nfs/dbraw/zinc/00/68/37/520006837.db2.gz CFEHLUVUFCUXIF-UHFFFAOYSA-N 1 0 370.457 2.795 20 5 FFBDRO CC(C)[NH+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2CC2)CC1 ZINC000597406435 520007010 /nfs/dbraw/zinc/00/70/10/520007010.db2.gz JRETWQFCMMMYNI-UHFFFAOYSA-N 1 0 370.457 2.794 20 5 FFBDRO Cn1nnc2c1CC[C@@H]([NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)C2 ZINC000594521184 520013812 /nfs/dbraw/zinc/01/38/12/520013812.db2.gz MIFKWBJSPQNLQO-UZLBHIALSA-N 1 0 363.421 2.960 20 5 FFBDRO O=[N+]([O-])c1ccccc1CC[NH2+]C[C@H](O)COCc1ccc(Cl)cc1 ZINC000591744616 520019042 /nfs/dbraw/zinc/01/90/42/520019042.db2.gz OJUPUMCSIKCKNC-KRWDZBQOSA-N 1 0 364.829 2.958 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000600087952 520038815 /nfs/dbraw/zinc/03/88/15/520038815.db2.gz PEWMARWZNDQMRQ-JTQLQIEISA-N 1 0 370.247 2.960 20 5 FFBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000608963384 520169100 /nfs/dbraw/zinc/16/91/00/520169100.db2.gz CAKFFHNYGSHIJF-UHFFFAOYSA-N 1 0 370.453 2.918 20 5 FFBDRO CCC[NH+](CCC)CCCNS(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000609076246 520184714 /nfs/dbraw/zinc/18/47/14/520184714.db2.gz OQSIHZNIAOOCKA-UHFFFAOYSA-N 1 0 357.476 2.694 20 5 FFBDRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CCCNc1ccc([N+](=O)[O-])cc1)C2 ZINC000597715538 520193472 /nfs/dbraw/zinc/19/34/72/520193472.db2.gz LSYVMCDNOBWZDZ-IBGZPJMESA-N 1 0 360.458 2.731 20 5 FFBDRO CCOc1cc(N2CC[NH+](CCC[C@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000592120889 520196753 /nfs/dbraw/zinc/19/67/53/520196753.db2.gz IOQUMEPSTGMRIY-INIZCTEOSA-N 1 0 363.458 2.932 20 5 FFBDRO CC(C)NC(=O)CC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592130368 520205002 /nfs/dbraw/zinc/20/50/02/520205002.db2.gz FOGBQULZCXOBFG-QAQDUYKDSA-N 1 0 363.458 2.615 20 5 FFBDRO O=C(NCc1ccccc1)[C@@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000592155529 520232117 /nfs/dbraw/zinc/23/21/17/520232117.db2.gz OFPBNIIRDSPVEK-QGZVFWFLSA-N 1 0 369.421 2.612 20 5 FFBDRO COc1ccc(N2C[C@@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3C)CC2=O)cc1 ZINC000594966193 520232330 /nfs/dbraw/zinc/23/23/30/520232330.db2.gz PNQUPUSOUVRJJK-HNNXBMFYSA-N 1 0 355.394 2.807 20 5 FFBDRO COc1ccc(N2C[C@@H]([NH2+]Cc3ccc(C)c([N+](=O)[O-])c3)CC2=O)cc1 ZINC000594965353 520232929 /nfs/dbraw/zinc/23/29/29/520232929.db2.gz FLFJDUKALQRPCG-HNNXBMFYSA-N 1 0 355.394 2.807 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CCCN(c2ncccn2)C1 ZINC000595010195 520255497 /nfs/dbraw/zinc/25/54/97/520255497.db2.gz IQCMFUSZIIRDHW-KBPBESRZSA-N 1 0 357.414 2.713 20 5 FFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000600470114 520278301 /nfs/dbraw/zinc/27/83/01/520278301.db2.gz FWDZYYFLWVVQFO-HNNXBMFYSA-N 1 0 351.834 2.924 20 5 FFBDRO CCOc1cc(C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)c([N+](=O)[O-])cc1OC ZINC000597859020 520287198 /nfs/dbraw/zinc/28/71/98/520287198.db2.gz QAQXLZDICNFYBI-LBPRGKRZSA-N 1 0 365.430 2.605 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C1 ZINC000597860967 520288786 /nfs/dbraw/zinc/28/87/86/520288786.db2.gz QMCVPEPNWTVAEC-CYBMUJFWSA-N 1 0 371.441 2.835 20 5 FFBDRO CCc1cc(N[C@H]2CC[N@H+](CC3CC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000609384287 520300357 /nfs/dbraw/zinc/30/03/57/520300357.db2.gz FACDWBIEFFUHTI-KRWDZBQOSA-N 1 0 367.453 2.932 20 5 FFBDRO O=C(NCC1([NH+]2CCCCC2)CCCCC1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000592277413 520310246 /nfs/dbraw/zinc/31/02/46/520310246.db2.gz RSKKZNOWUHBPBS-UHFFFAOYSA-N 1 0 362.430 2.614 20 5 FFBDRO CCOc1cc(C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000597922969 520324019 /nfs/dbraw/zinc/32/40/19/520324019.db2.gz HQWAZXQGLGSCCD-LBPRGKRZSA-N 1 0 365.430 2.605 20 5 FFBDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000609489454 520330694 /nfs/dbraw/zinc/33/06/94/520330694.db2.gz NWFSIEQLNBMCGE-OAHLLOKOSA-N 1 0 363.458 2.990 20 5 FFBDRO CC[N@@H+]1CCCN(C(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)CC1 ZINC000609522540 520342610 /nfs/dbraw/zinc/34/26/10/520342610.db2.gz XWTGUOLRQNFQRN-MRXNPFEDSA-N 1 0 374.485 2.999 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000592374768 520355613 /nfs/dbraw/zinc/35/56/13/520355613.db2.gz IITCONNJNOCCIJ-OKILXGFUSA-N 1 0 366.414 2.582 20 5 FFBDRO CC(C)(C)OC(=O)C1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCOCC1 ZINC000592372743 520355676 /nfs/dbraw/zinc/35/56/76/520355676.db2.gz NHIPBPOSIFUWFH-UHFFFAOYSA-N 1 0 368.405 2.962 20 5 FFBDRO COc1cccc(C(=O)N2CC[C@H](c3cccc(F)c3)[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000595225209 520359607 /nfs/dbraw/zinc/35/96/07/520359607.db2.gz KCLBHVOHZMSOLF-GDBMZVCRSA-N 1 0 373.384 2.700 20 5 FFBDRO C[C@@H]1CCN(C(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)C[C@@H]1[NH3+] ZINC000595228701 520362174 /nfs/dbraw/zinc/36/21/74/520362174.db2.gz HAMCHUOXNJBIQX-LZWOXQAQSA-N 1 0 360.458 2.640 20 5 FFBDRO CN(CCC[NH+](C)C)CCNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000597990200 520364408 /nfs/dbraw/zinc/36/44/08/520364408.db2.gz QWRNQZFPXWCYAW-UHFFFAOYSA-N 1 0 364.490 2.506 20 5 FFBDRO CCN(C(=O)c1ccc([N+](=O)[O-])cc1Br)[C@@H]1CC[N@H+](CC)C1 ZINC000598038254 520387412 /nfs/dbraw/zinc/38/74/12/520387412.db2.gz BOJCAYBNGNGQOW-GFCCVEGCSA-N 1 0 370.247 2.914 20 5 FFBDRO CCN(C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)[C@H]1CC[N@H+](CC)C1 ZINC000598039080 520389552 /nfs/dbraw/zinc/38/95/52/520389552.db2.gz IHSCCKLZEXCTMQ-HNNXBMFYSA-N 1 0 357.414 2.541 20 5 FFBDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000609664481 520399546 /nfs/dbraw/zinc/39/95/46/520399546.db2.gz JJOQGSMHQCKCTC-MRXNPFEDSA-N 1 0 374.485 2.611 20 5 FFBDRO Cc1cc(S(=O)(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000609674649 520402671 /nfs/dbraw/zinc/40/26/71/520402671.db2.gz IPZSSSKCDHSNIQ-UHFFFAOYSA-N 1 0 369.487 2.644 20 5 FFBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CC[NH+](C2CCC2)CC1 ZINC000609731628 520416732 /nfs/dbraw/zinc/41/67/32/520416732.db2.gz FUIYNGHPFUQFQM-UHFFFAOYSA-N 1 0 367.833 2.714 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000603982293 520423144 /nfs/dbraw/zinc/42/31/44/520423144.db2.gz DPDOQVNAFRKDST-OKILXGFUSA-N 1 0 369.487 2.550 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCCc2cccc(C[NH3+])c21 ZINC000600722156 520425251 /nfs/dbraw/zinc/42/52/51/520425251.db2.gz GKYKSYADQBUBKR-UHFFFAOYSA-N 1 0 354.410 2.753 20 5 FFBDRO CC[NH+](CC)CCN(CC(C)C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000604031933 520431410 /nfs/dbraw/zinc/43/14/10/520431410.db2.gz OIMJVLPEHCPMOM-UHFFFAOYSA-N 1 0 371.503 2.892 20 5 FFBDRO CO[C@H](C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)C1CCCC1 ZINC000595378365 520437852 /nfs/dbraw/zinc/43/78/52/520437852.db2.gz SFULGVRZHWKROD-GOSISDBHSA-N 1 0 361.442 2.558 20 5 FFBDRO CC(C)(C)[NH+]1CCC(NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000604098602 520450191 /nfs/dbraw/zinc/45/01/91/520450191.db2.gz KIWUQZXOQBMJNX-UHFFFAOYSA-N 1 0 363.462 2.569 20 5 FFBDRO C[NH+](C)[C@@H](CNc1ncnc2ccc([N+](=O)[O-])cc21)Cc1ccccc1 ZINC000609849399 520456601 /nfs/dbraw/zinc/45/66/01/520456601.db2.gz QCTQRSYGVXQQQG-MRXNPFEDSA-N 1 0 351.410 2.545 20 5 FFBDRO CO[C@@H](C[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1)C1CCC1 ZINC000595434170 520468484 /nfs/dbraw/zinc/46/84/84/520468484.db2.gz YYIJFSQWDLHFKG-SFHVURJKSA-N 1 0 373.457 2.798 20 5 FFBDRO C[NH+](C)[C@@H](CNC(=O)COc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000604181945 520472315 /nfs/dbraw/zinc/47/23/15/520472315.db2.gz JPPNHVBIFBTESC-KRWDZBQOSA-N 1 0 361.373 2.532 20 5 FFBDRO C[NH+](C)[C@@H](CNC(=O)COc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000604181418 520472500 /nfs/dbraw/zinc/47/25/00/520472500.db2.gz IQXIPFYCTZDMND-INIZCTEOSA-N 1 0 361.373 2.532 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](CO)[C@@H](C)c1ccccc1 ZINC000613390148 520480531 /nfs/dbraw/zinc/48/05/31/520480531.db2.gz YVCXWSAZIYNERN-KXBFYZLASA-N 1 0 371.437 2.986 20 5 FFBDRO C[C@H]([NH2+][C@H](CO)[C@@H](C)c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000613390194 520480904 /nfs/dbraw/zinc/48/09/04/520480904.db2.gz ZNSCEDMOZMZUJD-SUNYJGFJSA-N 1 0 357.410 2.676 20 5 FFBDRO COc1ccc(CC(=O)N2CCC[N@@H+](C3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000609997407 520499211 /nfs/dbraw/zinc/49/92/11/520499211.db2.gz ODXOCBKMRGBSLV-UHFFFAOYSA-N 1 0 361.442 2.623 20 5 FFBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000598218937 520501236 /nfs/dbraw/zinc/50/12/36/520501236.db2.gz JTCZIZDOIIHERB-OAHLLOKOSA-N 1 0 361.442 2.887 20 5 FFBDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000598266505 520528404 /nfs/dbraw/zinc/52/84/04/520528404.db2.gz YWMSTENAZLUGCZ-HNNXBMFYSA-N 1 0 358.442 2.786 20 5 FFBDRO C[C@H](CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](C)C1 ZINC000604437763 520563807 /nfs/dbraw/zinc/56/38/07/520563807.db2.gz RDYRDTDQBLKMNI-LSDHHAIUSA-N 1 0 371.441 2.631 20 5 FFBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000604472370 520570673 /nfs/dbraw/zinc/57/06/73/520570673.db2.gz UZQNWGNAUNJTOD-INIZCTEOSA-N 1 0 356.426 2.575 20 5 FFBDRO CC(C)[NH2+][C@H]1CCCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000604561697 520605949 /nfs/dbraw/zinc/60/59/49/520605949.db2.gz RIKVFSMPRNARHO-INIZCTEOSA-N 1 0 360.458 2.798 20 5 FFBDRO COc1ccc(NC(=O)CC[N@@H+]2CC3(CCC3)OC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000595684051 520645908 /nfs/dbraw/zinc/64/59/08/520645908.db2.gz ZJWZIMPALUIOCM-ZDUSSCGKSA-N 1 0 363.414 2.575 20 5 FFBDRO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N(CC[NH+](C)C)Cc1ccco1 ZINC000601129904 520651084 /nfs/dbraw/zinc/65/10/84/520651084.db2.gz NZVAMHVVVUGDMU-UHFFFAOYSA-N 1 0 361.324 2.508 20 5 FFBDRO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000601136289 520654626 /nfs/dbraw/zinc/65/46/26/520654626.db2.gz ZPUMCNUYHVOSLR-LLVKDONJSA-N 1 0 361.368 2.515 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@@H](c3cc4ccccc4[nH]3)C2)c1 ZINC000610392187 520663619 /nfs/dbraw/zinc/66/36/19/520663619.db2.gz ALPZMZZSBXXEMV-WBVHZDCISA-N 1 0 369.425 2.513 20 5 FFBDRO O=[N+]([O-])c1ccccc1NCc1ccc(CN2CCS(=O)CC2)cc1 ZINC000601178091 520674146 /nfs/dbraw/zinc/67/41/46/520674146.db2.gz LAZQGGVHEWFPKW-UHFFFAOYSA-N 1 0 359.451 2.771 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H](C(C)C)C2(CO)CC=CC2)c1 ZINC000593035518 520697460 /nfs/dbraw/zinc/69/74/60/520697460.db2.gz QFPAMFRGMJHRPD-KRWDZBQOSA-N 1 0 362.426 2.824 20 5 FFBDRO COc1cc(C[N@@H+]2C[C@H]3COC[C@@]3(C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000595756246 520701177 /nfs/dbraw/zinc/70/11/77/520701177.db2.gz FRMFUYJNALOUCD-YVEFUNNKSA-N 1 0 372.368 2.716 20 5 FFBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000598560451 520705026 /nfs/dbraw/zinc/70/50/26/520705026.db2.gz MGMZWRDRQQIHGL-OAHLLOKOSA-N 1 0 370.453 2.857 20 5 FFBDRO COc1ccc(CNC(=O)Nc2cnn(-c3cc[nH+]cc3)c2)cc1[N+](=O)[O-] ZINC000610478080 520706963 /nfs/dbraw/zinc/70/69/63/520706963.db2.gz LFRJYTGFSFBPJF-UHFFFAOYSA-N 1 0 368.353 2.506 20 5 FFBDRO CC(C)O[C@@H]1CCC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000593054495 520711383 /nfs/dbraw/zinc/71/13/83/520711383.db2.gz FADJHBWHWBDOON-OAHLLOKOSA-N 1 0 363.414 2.782 20 5 FFBDRO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](OC(C)C)C2)c([N+](=O)[O-])c1 ZINC000593055719 520713690 /nfs/dbraw/zinc/71/36/90/520713690.db2.gz NIWVESMEGBUCFD-OAHLLOKOSA-N 1 0 365.430 2.821 20 5 FFBDRO Cn1cc(C[C@H]2CCC[C@H]2[NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)cn1 ZINC000595773406 520715224 /nfs/dbraw/zinc/71/52/24/520715224.db2.gz WSUMKQBMMGSGTG-CRAIPNDOSA-N 1 0 371.441 2.658 20 5 FFBDRO CC[C@@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)[C@H](CC)CO1 ZINC000593058106 520715503 /nfs/dbraw/zinc/71/55/03/520715503.db2.gz JIBYWNBKBGRJBM-UKRRQHHQSA-N 1 0 365.430 2.821 20 5 FFBDRO C[N@H+](CCNC(=O)Cc1ccc(F)cc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000593080202 520730288 /nfs/dbraw/zinc/73/02/88/520730288.db2.gz KDSAXNWCURHMKI-UHFFFAOYSA-N 1 0 363.364 2.664 20 5 FFBDRO COC(=O)c1ccnc(NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000598589988 520730542 /nfs/dbraw/zinc/73/05/42/520730542.db2.gz WMRJMEPPKHMYOM-PXAZEXFGSA-N 1 0 350.419 2.699 20 5 FFBDRO Cc1c2cccc(C)c2oc1C[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000593088235 520734907 /nfs/dbraw/zinc/73/49/07/520734907.db2.gz YMYXUUKJHNCTHE-HNNXBMFYSA-N 1 0 358.398 2.647 20 5 FFBDRO COC(=O)c1ccnc(NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000598620472 520747682 /nfs/dbraw/zinc/74/76/82/520747682.db2.gz AYBVJCPUGSIXCJ-HNNXBMFYSA-N 1 0 370.409 2.710 20 5 FFBDRO [NH3+][C@@]12CCC[C@H]1CN(C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000598668637 520776547 /nfs/dbraw/zinc/77/65/47/520776547.db2.gz CLSZFICZBNMGNN-ZUZCIYMTSA-N 1 0 355.847 2.680 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)CC1=CCSC1 ZINC000595887923 520795067 /nfs/dbraw/zinc/79/50/67/520795067.db2.gz HXVVVCGCDNUHBO-UHFFFAOYSA-N 1 0 351.428 2.537 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595935423 520831528 /nfs/dbraw/zinc/83/15/28/520831528.db2.gz DBOPZXJZJXWSRH-HNNXBMFYSA-N 1 0 368.437 2.995 20 5 FFBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000595935284 520832774 /nfs/dbraw/zinc/83/27/74/520832774.db2.gz IMNVMEOWFMAANJ-OAHLLOKOSA-N 1 0 359.348 2.576 20 5 FFBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000601551521 520837197 /nfs/dbraw/zinc/83/71/97/520837197.db2.gz IDBCYBQZKFWLKH-TZMCWYRMSA-N 1 0 367.833 2.618 20 5 FFBDRO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000601555158 520838018 /nfs/dbraw/zinc/83/80/18/520838018.db2.gz WRAOXDLHDGKMQU-IINYFYTJSA-N 1 0 368.231 2.571 20 5 FFBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000595962686 520839986 /nfs/dbraw/zinc/83/99/86/520839986.db2.gz SMUYGUODGICTAO-MRXNPFEDSA-N 1 0 361.442 2.602 20 5 FFBDRO COc1ccc([C@@H](CNc2cc[nH]c(=O)c2[N+](=O)[O-])[NH+]2CCCC2)cc1 ZINC000596055965 520882232 /nfs/dbraw/zinc/88/22/32/520882232.db2.gz YATATZOITMRTFS-MRXNPFEDSA-N 1 0 358.398 2.953 20 5 FFBDRO CO[C@H](C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000596066774 520891815 /nfs/dbraw/zinc/89/18/15/520891815.db2.gz QNQOYUQKFCGRAH-CRAIPNDOSA-N 1 0 352.431 2.519 20 5 FFBDRO C[C@@H](c1ccccc1)[C@H](O)C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000596069563 520892311 /nfs/dbraw/zinc/89/23/11/520892311.db2.gz MNWOJZZLWAHUCZ-KBXCAEBGSA-N 1 0 357.410 2.678 20 5 FFBDRO C[NH2+]C[C@@H](C)NCc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000596103111 520914366 /nfs/dbraw/zinc/91/43/66/520914366.db2.gz AGGAYVWMVNDPIO-CQSZACIVSA-N 1 0 359.426 2.880 20 5 FFBDRO COc1cccc([C@@H](C)N2CCN(c3cc[nH]c(=O)c3[N+](=O)[O-])CC2)c1 ZINC000596106402 520915835 /nfs/dbraw/zinc/91/58/35/520915835.db2.gz AQNLNOZZYALSKU-CYBMUJFWSA-N 1 0 358.398 2.587 20 5 FFBDRO C[NH+](C)C1(CNc2c(Br)cccc2[N+](=O)[O-])CCOCC1 ZINC000596128865 520929464 /nfs/dbraw/zinc/92/94/64/520929464.db2.gz OTLDTDFEVBWWCO-UHFFFAOYSA-N 1 0 358.236 2.880 20 5 FFBDRO CCC1([NH+]2CCCC2)CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000601743956 520930761 /nfs/dbraw/zinc/93/07/61/520930761.db2.gz FZMPNPZEJQHHAZ-UHFFFAOYSA-N 1 0 371.441 2.952 20 5 FFBDRO CCn1c(CC[NH3+])nnc1Sc1c(Br)cccc1[N+](=O)[O-] ZINC000596149635 520939431 /nfs/dbraw/zinc/93/94/31/520939431.db2.gz XMUMEYJIRPKGRH-UHFFFAOYSA-N 1 0 372.248 2.621 20 5 FFBDRO C[NH+]1CCC(n2cc(NC(=O)[C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)cn2)CC1 ZINC000601777827 520947172 /nfs/dbraw/zinc/94/71/72/520947172.db2.gz LQBNLJHXVRNPHA-ZWKOTPCHSA-N 1 0 369.425 2.800 20 5 FFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596176214 520953416 /nfs/dbraw/zinc/95/34/16/520953416.db2.gz BBYSXHJNSPSKBM-LSDHHAIUSA-N 1 0 368.437 2.793 20 5 FFBDRO C[NH+](C)[C@@H](CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-])C1CCCCC1 ZINC000593405423 520971339 /nfs/dbraw/zinc/97/13/39/520971339.db2.gz QBIBFMXNDFARFT-KRWDZBQOSA-N 1 0 351.422 2.903 20 5 FFBDRO CCC1([NH+](C)C)CCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C)CC1 ZINC000601860015 520992997 /nfs/dbraw/zinc/99/29/97/520992997.db2.gz PSDYSDHUGAYEJS-UHFFFAOYSA-N 1 0 358.446 2.701 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC([NH2+]Cc3ccccc3)CC2)n1 ZINC000596252628 520995020 /nfs/dbraw/zinc/99/50/20/520995020.db2.gz PKUOXXPNZQCQID-UHFFFAOYSA-N 1 0 370.409 2.535 20 5 FFBDRO O=C([C@@H]1CCCN(c2ccc3cnccc3c2[N+](=O)[O-])C1)N1CCCC1 ZINC000599043906 520996561 /nfs/dbraw/zinc/99/65/61/520996561.db2.gz OKGRMJPDYLMZON-OAHLLOKOSA-N 1 0 354.410 2.982 20 5 FFBDRO O=[N+]([O-])c1c2ccncc2ccc1N1CC[NH+](CC2CCOCC2)CC1 ZINC000599049396 520999544 /nfs/dbraw/zinc/99/95/44/520999544.db2.gz WXUBPBKQQGLZIZ-UHFFFAOYSA-N 1 0 356.426 2.692 20 5 FFBDRO COc1cc(N2CCC([NH+]3CCOCC3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000599102860 521033081 /nfs/dbraw/zinc/03/30/81/521033081.db2.gz FYGJBWGRIOJYSS-UHFFFAOYSA-N 1 0 355.822 2.558 20 5 FFBDRO COc1cc(N[C@@H](C)CN(C)CCC[NH+](C)C)c(Cl)cc1[N+](=O)[O-] ZINC000596362789 521040085 /nfs/dbraw/zinc/04/00/85/521040085.db2.gz OGCIHDMTROUJNO-LBPRGKRZSA-N 1 0 358.870 2.941 20 5 FFBDRO Cn1cc(C[N@@H+]2CCO[C@H](C(F)F)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000601969431 521047279 /nfs/dbraw/zinc/04/72/79/521047279.db2.gz DCCLENCUFKYQGW-HNNXBMFYSA-N 1 0 366.368 2.851 20 5 FFBDRO Cc1noc([C@@H]2OCC[C@@H]2Nc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)n1 ZINC000599195919 521081617 /nfs/dbraw/zinc/08/16/17/521081617.db2.gz NCPCWCCCUBSUAV-GOEBONIOSA-N 1 0 355.354 2.507 20 5 FFBDRO C[NH+](C)CCCC1CCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000593568181 521081650 /nfs/dbraw/zinc/08/16/50/521081650.db2.gz FWUIFGTWYLZUKP-UHFFFAOYSA-N 1 0 351.422 2.857 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC[N@H+](C[C@@H]3CCCO3)CC2)c2ncccc12 ZINC000611296542 521086566 /nfs/dbraw/zinc/08/65/66/521086566.db2.gz UJHGSGIJEATIRY-HNNXBMFYSA-N 1 0 356.426 2.834 20 5 FFBDRO O=[N+]([O-])c1cnc(NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)nc1 ZINC000596526634 521117554 /nfs/dbraw/zinc/11/75/54/521117554.db2.gz RUAIGINEZDAVCR-MRXNPFEDSA-N 1 0 353.426 2.521 20 5 FFBDRO O=[N+]([O-])c1ccc2[nH]c(N3CC[C@@H](OCC[NH+]4CCCCC4)C3)nc2c1 ZINC000618588143 521136101 /nfs/dbraw/zinc/13/61/01/521136101.db2.gz QTSURTJAMRCIQS-OAHLLOKOSA-N 1 0 359.430 2.552 20 5 FFBDRO CC[C@H]([NH2+]CC(=O)NCC(=O)c1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000611403673 521138512 /nfs/dbraw/zinc/13/85/12/521138512.db2.gz WQVPVJBCNGVTBG-AWEZNQCLSA-N 1 0 361.423 2.696 20 5 FFBDRO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(c2sccc2[N+](=O)[O-])CC1 ZINC000611411571 521142301 /nfs/dbraw/zinc/14/23/01/521142301.db2.gz CIYWDFDGDQFZSC-UHFFFAOYSA-N 1 0 368.503 2.577 20 5 FFBDRO CN(c1ccccc1)c1ccc(C[NH2+]CC[C@@]2(O)CCOC2)cc1[N+](=O)[O-] ZINC000593670963 521142887 /nfs/dbraw/zinc/14/28/87/521142887.db2.gz NNPDMWGJRPAMKG-HXUWFJFHSA-N 1 0 371.437 2.994 20 5 FFBDRO COc1ccc(CN2CC[C@H]2C(=O)NCCc2ccccc2[N+](=O)[O-])cc1 ZINC000602110713 521148222 /nfs/dbraw/zinc/14/82/22/521148222.db2.gz PZQCKZBFLCARJL-IBGZPJMESA-N 1 0 369.421 2.537 20 5 FFBDRO CCN1C[C@@H](C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1=O ZINC000593686335 521155794 /nfs/dbraw/zinc/15/57/94/521155794.db2.gz GYKYDJCSSWZFGN-GFCCVEGCSA-N 1 0 360.439 2.676 20 5 FFBDRO C[C@@H](CCO)C1(C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCC1 ZINC000611443464 521161013 /nfs/dbraw/zinc/16/10/13/521161013.db2.gz VSXHFIBSOGWBPO-ZDUSSCGKSA-N 1 0 350.415 2.644 20 5 FFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC[C@@]1(O)CCCOC1 ZINC000593719822 521174802 /nfs/dbraw/zinc/17/48/02/521174802.db2.gz HQYIRKUUCSQOOP-YOEHRIQHSA-N 1 0 354.472 2.987 20 5 FFBDRO COc1ccc(OC)c([C@H]2CCC[N@@H+]2CCn2c(C)ncc2[N+](=O)[O-])c1 ZINC000611560285 521219803 /nfs/dbraw/zinc/21/98/03/521219803.db2.gz MSRSJFVBNGMFAH-MRXNPFEDSA-N 1 0 360.414 2.954 20 5 FFBDRO CCN(C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H]1CC[N@H+](C)C1 ZINC000596694855 521227855 /nfs/dbraw/zinc/22/78/55/521227855.db2.gz PDNYRSMBBVDKGZ-LLVKDONJSA-N 1 0 358.345 2.754 20 5 FFBDRO C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000602241974 521232762 /nfs/dbraw/zinc/23/27/62/521232762.db2.gz NBSRWZFKQZEXBM-CYBMUJFWSA-N 1 0 370.409 2.522 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC000596845418 521328473 /nfs/dbraw/zinc/32/84/73/521328473.db2.gz UDIGFDRYCJFMRN-CYBMUJFWSA-N 1 0 350.419 2.845 20 5 FFBDRO C[C@H]([NH3+])C1CCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000602427118 521339997 /nfs/dbraw/zinc/33/99/97/521339997.db2.gz BGGUUSDOFQTPPJ-VIFPVBQESA-N 1 0 356.220 2.557 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(CC)[C@@H]1CC[N@H+](CC)C1 ZINC000596890184 521358605 /nfs/dbraw/zinc/35/86/05/521358605.db2.gz LDIGDGKZGDWQME-CQSZACIVSA-N 1 0 350.419 2.942 20 5 FFBDRO Cc1ccc([C@H](C)NC(=O)Cc2cccc3c2CC[NH2+]C3)cc1[N+](=O)[O-] ZINC000602465153 521361273 /nfs/dbraw/zinc/36/12/73/521361273.db2.gz IZKNMTBDOPQMDJ-AWEZNQCLSA-N 1 0 353.422 2.969 20 5 FFBDRO COC(=O)[C@](C)(NCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000599651152 521362085 /nfs/dbraw/zinc/36/20/85/521362085.db2.gz HLBHHIAMIPDAES-SPYBWZPUSA-N 1 0 363.458 2.551 20 5 FFBDRO CCOc1ccc(NC(=O)C[NH2+][C@H](CC)[C@H]2CCCCO2)c([N+](=O)[O-])c1 ZINC000594044447 521370070 /nfs/dbraw/zinc/37/00/70/521370070.db2.gz QXQYLMVYKXGCFY-RHSMWYFYSA-N 1 0 365.430 2.869 20 5 FFBDRO CCC1([NH+]2CCOCC2)CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000599663836 521377024 /nfs/dbraw/zinc/37/70/24/521377024.db2.gz KTOPQGVERYVKKD-UHFFFAOYSA-N 1 0 369.412 2.950 20 5 FFBDRO O=C(N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000602495544 521378709 /nfs/dbraw/zinc/37/87/09/521378709.db2.gz DTAMNLRWUUKDQC-JKSUJKDBSA-N 1 0 357.454 2.865 20 5 FFBDRO CCCOc1ncccc1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602526521 521395009 /nfs/dbraw/zinc/39/50/09/521395009.db2.gz DCINJOBNTQELMZ-UHFFFAOYSA-N 1 0 371.441 2.932 20 5 FFBDRO [NH3+]C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[C@@H]1C(F)(F)F ZINC000602538949 521401022 /nfs/dbraw/zinc/40/10/22/521401022.db2.gz GAHJESNXDQRPSO-KWQFWETISA-N 1 0 365.739 2.848 20 5 FFBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H]2CCN(C3CC3)[C@H](c3ccccc3)C2)c1 ZINC000602571446 521417043 /nfs/dbraw/zinc/41/70/43/521417043.db2.gz ZWIWXBKNGSYINL-APWZRJJASA-N 1 0 355.442 2.749 20 5 FFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCOc2ccc(C[NH3+])cc21 ZINC000602576143 521420008 /nfs/dbraw/zinc/42/00/08/521420008.db2.gz NCDHMXPDLDLNHQ-LBPRGKRZSA-N 1 0 373.434 2.960 20 5 FFBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000602598933 521430860 /nfs/dbraw/zinc/43/08/60/521430860.db2.gz LRUZERLUXDKYGC-MGCOHNPYSA-N 1 0 356.220 2.605 20 5 FFBDRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000594200284 521466639 /nfs/dbraw/zinc/46/66/39/521466639.db2.gz KMSQHOWGEBEMOB-HOTGVXAUSA-N 1 0 369.425 2.527 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@H](CO)C3CCCCC3)CC2)cn1 ZINC000602676635 521474626 /nfs/dbraw/zinc/47/46/26/521474626.db2.gz QAMOSOIOKNUKDP-MRXNPFEDSA-N 1 0 362.474 2.737 20 5 FFBDRO CCC[N@@H+]1CC[C@@H](CNC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)C1 ZINC000597095334 521502058 /nfs/dbraw/zinc/50/20/58/521502058.db2.gz SUUWQCYKAWPCFA-JTQLQIEISA-N 1 0 355.826 2.684 20 5 FFBDRO CC[N@@H+]1C[C@H](C)N(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)C[C@H]1C ZINC000597100979 521506513 /nfs/dbraw/zinc/50/65/13/521506513.db2.gz NPBKMRPNJSWBLI-ZJUUUORDSA-N 1 0 355.826 2.777 20 5 FFBDRO C[C@H](NC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N)C1=CC[N@H+](C)CC1 ZINC000597101834 521507371 /nfs/dbraw/zinc/50/73/71/521507371.db2.gz UXCAWBJXQJAYIZ-VIFPVBQESA-N 1 0 353.810 2.602 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H](C3CCC3)[C@H]3CCCO3)CC2)cn1 ZINC000602743764 521509980 /nfs/dbraw/zinc/50/99/80/521509980.db2.gz UFOSJTOMAZOAMX-MJGOQNOKSA-N 1 0 360.458 2.896 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC2(CC1)OCCc1ccccc12 ZINC000602839274 521563687 /nfs/dbraw/zinc/56/36/87/521563687.db2.gz XLDDACJXTQBKNG-UHFFFAOYSA-N 1 0 356.426 2.664 20 5 FFBDRO COc1ccccc1[C@H](CNC(=O)c1cc([N+](=O)[O-])cn1C)[NH+]1CCCC1 ZINC000619525289 521753245 /nfs/dbraw/zinc/75/32/45/521753245.db2.gz ADDVQJYVKRVZKF-KRWDZBQOSA-N 1 0 372.425 2.509 20 5 FFBDRO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])c(-c2nn[nH]n2)c1)c1cccs1 ZINC000825850789 607448504 /nfs/dbraw/zinc/44/85/04/607448504.db2.gz RXLOSRLYLKFXMK-ZDUSSCGKSA-N 1 0 359.415 2.551 20 5 FFBDRO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])c(-c2nn[nH]n2)c1)c1ccc(F)cc1 ZINC000825848815 607451894 /nfs/dbraw/zinc/45/18/94/607451894.db2.gz FZVADPGFYMHBDL-MRXNPFEDSA-N 1 0 371.376 2.629 20 5 FFBDRO O=[N+]([O-])c1ccc(C[N@H+](Cc2ccccc2-c2nn[nH]n2)C2CC2)cc1 ZINC000826497949 608173182 /nfs/dbraw/zinc/17/31/82/608173182.db2.gz AEWNWHQDKCNWKG-UHFFFAOYSA-N 1 0 350.382 2.940 20 5 FFBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCCc2cc(-c3nn[nH]n3)ccc21 ZINC000826500041 608518915 /nfs/dbraw/zinc/51/89/15/608518915.db2.gz JCHAVDUZLIQSQR-MRXNPFEDSA-N 1 0 350.382 2.942 20 5 FFBDRO [NH3+]C1([C@@H]2CN(C(F)(F)c3cnc(Cl)c([N+](=O)[O-])c3)C[C@@H]2CF)CC1 ZINC001164629939 719115185 /nfs/dbraw/zinc/11/51/85/719115185.db2.gz UKKXDYOMMUYMAC-WCBMZHEXSA-N 1 0 364.755 2.701 20 5 FFBDRO Nc1cc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)ncc1[N+](=O)[O-] ZINC001164997330 722203008 /nfs/dbraw/zinc/20/30/08/722203008.db2.gz ZOISBROKBCEKJJ-LJQANCHMSA-N 1 0 371.416 2.956 20 5 FFBDRO CC[N@H+](CCNC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C)C(C)C ZINC000102479220 728491110 /nfs/dbraw/zinc/49/11/10/728491110.db2.gz SLJWSUOFTQWMFM-UHFFFAOYSA-N 1 0 352.391 2.580 20 5 FFBDRO CC(C)(C)[S@](=O)CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000127623118 728706796 /nfs/dbraw/zinc/70/67/96/728706796.db2.gz WQWBYSHOVRPDJY-DEOSSOPVSA-N 1 0 353.488 2.700 20 5 FFBDRO COc1ccc(C[N@H+](C)[C@@H](C)CNC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000171956423 729016734 /nfs/dbraw/zinc/01/67/34/729016734.db2.gz KDPTXGNDQMIFEQ-LBPRGKRZSA-N 1 0 353.419 2.948 20 5 FFBDRO CC(C)[NH+]1CCC(NC(=O)CSc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000193510297 729481617 /nfs/dbraw/zinc/48/16/17/729481617.db2.gz KTPGZSFWRLLKFH-UHFFFAOYSA-N 1 0 355.435 2.815 20 5 FFBDRO [NH3+][C@@H]1CCC[C@@H]2CN(Cc3ccc(Br)c([N+](=O)[O-])c3)C[C@H]21 ZINC000228546832 729549591 /nfs/dbraw/zinc/54/95/91/729549591.db2.gz AGLMCCXMLDUSEV-YRGRVCCFSA-N 1 0 354.248 2.917 20 5 FFBDRO CN(CCC[NH+](C)C)CCNc1cccc(Br)c1[N+](=O)[O-] ZINC000856770837 730356368 /nfs/dbraw/zinc/35/63/68/730356368.db2.gz ONRQQTJCNMBOKK-UHFFFAOYSA-N 1 0 359.268 2.653 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000861984378 730658818 /nfs/dbraw/zinc/65/88/18/730658818.db2.gz DOLWVIYYQJSTQM-UHFFFAOYSA-N 1 0 367.833 2.575 20 5 FFBDRO CC(C)[C@H](C[NH+](C)C)NC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000865800551 730998889 /nfs/dbraw/zinc/99/88/89/730998889.db2.gz OHFJWYOBIBETBE-ZDUSSCGKSA-N 1 0 372.263 2.602 20 5 FFBDRO Cn1cc(C(F)F)c(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000866565997 731074478 /nfs/dbraw/zinc/07/44/78/731074478.db2.gz WFHYQCRMMSFICY-YPMHNXCESA-N 1 0 354.361 2.736 20 5 FFBDRO COc1cc(CN2CC[NH2+]CCC2(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000866699872 731089105 /nfs/dbraw/zinc/08/91/05/731089105.db2.gz PGUABNURDPUTDL-UHFFFAOYSA-N 1 0 359.373 2.779 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H](C)C1CC[NH2+]CC1 ZINC000868005738 731250662 /nfs/dbraw/zinc/25/06/62/731250662.db2.gz WQUNGIDKNAXNHZ-GHMZBOCLSA-N 1 0 355.822 2.520 20 5 FFBDRO COc1cc(C[NH2+]CC[C@@H](N(C)C)C(F)(F)F)c([N+](=O)[O-])cc1OC ZINC000922753223 738195713 /nfs/dbraw/zinc/19/57/13/738195713.db2.gz MZDAJLMIGZIPAK-CQSZACIVSA-N 1 0 365.352 2.584 20 5 FFBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC000872047543 731723771 /nfs/dbraw/zinc/72/37/71/731723771.db2.gz DYOISGWXMPFMKB-LLVKDONJSA-N 1 0 358.485 2.792 20 5 FFBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC000872052691 731724344 /nfs/dbraw/zinc/72/43/44/731724344.db2.gz GDXYWVYTFJFZKV-WHOFXGATSA-N 1 0 367.471 2.603 20 5 FFBDRO CC(C)(C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(C)(F)F ZINC000872230991 731743034 /nfs/dbraw/zinc/74/30/34/731743034.db2.gz BXGFIZJCHYNGCO-UHFFFAOYSA-N 1 0 350.387 2.640 20 5 FFBDRO CC1([NH+]2CCCCC2)CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000872531687 731786914 /nfs/dbraw/zinc/78/69/14/731786914.db2.gz NCASRQXIGKXUGV-UHFFFAOYSA-N 1 0 367.471 2.624 20 5 FFBDRO [NH3+]C[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@H]1C(F)(F)F ZINC000873226887 731893274 /nfs/dbraw/zinc/89/32/74/731893274.db2.gz DDOJIXRKWSBQKK-GXSJLCMTSA-N 1 0 369.290 2.765 20 5 FFBDRO O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000873315050 731900814 /nfs/dbraw/zinc/90/08/14/731900814.db2.gz ZXLYVIUNVNATQB-OCCSQVGLSA-N 1 0 369.219 2.763 20 5 FFBDRO O=[N+]([O-])c1sc(C[NH2+]CCOc2cccnc2)cc1Br ZINC000877037740 732315586 /nfs/dbraw/zinc/31/55/86/732315586.db2.gz AVNRKTLMIDYPTN-UHFFFAOYSA-N 1 0 358.217 2.982 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000877355751 732348881 /nfs/dbraw/zinc/34/88/81/732348881.db2.gz BODAARBPIYLINO-NWDGAFQWSA-N 1 0 359.348 2.729 20 5 FFBDRO O=C(N[C@@]12CCC[C@@H]1[NH2+]CC2)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000877390997 732356489 /nfs/dbraw/zinc/35/64/89/732356489.db2.gz HNNLMPLLXRFXQN-WMLDXEAASA-N 1 0 358.423 2.733 20 5 FFBDRO COC[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1cccc(Br)c1 ZINC000879662209 732745829 /nfs/dbraw/zinc/74/58/29/732745829.db2.gz UIGJYAANRANDPY-ZDUSSCGKSA-N 1 0 369.219 2.531 20 5 FFBDRO O=[N+]([O-])c1cc(CN2CCC[C@H]([NH2+]C3CCOCC3)C2)ccc1Cl ZINC000880204054 732865198 /nfs/dbraw/zinc/86/51/98/732865198.db2.gz QXJQTQZWWWVYIR-HNNXBMFYSA-N 1 0 353.850 2.981 20 5 FFBDRO C[C@@H]1CN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCN1c1cc[nH+]cc1 ZINC000881634948 733076975 /nfs/dbraw/zinc/07/69/75/733076975.db2.gz BSSPOPKGFVUWEF-GFCCVEGCSA-N 1 0 360.801 2.994 20 5 FFBDRO COC(=O)N1CCC([NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000883287896 733360547 /nfs/dbraw/zinc/36/05/47/733360547.db2.gz KCNDWROSDCUFKN-UHFFFAOYSA-N 1 0 372.219 2.678 20 5 FFBDRO Cc1sc(-c2ccc([N+](=O)[O-])cc2)nc1-c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000887403975 733922717 /nfs/dbraw/zinc/92/27/17/733922717.db2.gz PMZOSUINCMSSEY-CYBMUJFWSA-N 1 0 356.411 2.820 20 5 FFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cc(N(C)C)cc[nH+]1 ZINC000927705683 738772134 /nfs/dbraw/zinc/77/21/34/738772134.db2.gz JWWXLCUEIUYLSD-GFCCVEGCSA-N 1 0 360.439 2.853 20 5 FFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cc(N(C)C)cc[nH+]1 ZINC000927705684 738772307 /nfs/dbraw/zinc/77/23/07/738772307.db2.gz JWWXLCUEIUYLSD-LBPRGKRZSA-N 1 0 360.439 2.853 20 5 FFBDRO CN1CCC([N@@H+]2CC[C@H](Nc3nc4ccc([N+](=O)[O-])cc4s3)C2)CC1 ZINC000732804732 734766674 /nfs/dbraw/zinc/76/66/74/734766674.db2.gz DLOMMKCXDSOQNH-LBPRGKRZSA-N 1 0 361.471 2.785 20 5 FFBDRO Cc1ccc(N[C@H](C)[C@H]2C[N@H+](C)CCN2C)c([N+](=O)[O-])c1Br ZINC000895246307 734980333 /nfs/dbraw/zinc/98/03/33/734980333.db2.gz MWCVBCVQPKMANI-DGCLKSJQSA-N 1 0 371.279 2.712 20 5 FFBDRO Cc1ccc(N[C@@H](C)[C@H]2C[N@H+](C)CCN2C)c([N+](=O)[O-])c1Br ZINC000895246308 734980647 /nfs/dbraw/zinc/98/06/47/734980647.db2.gz MWCVBCVQPKMANI-WCQYABFASA-N 1 0 371.279 2.712 20 5 FFBDRO COc1cc(C[NH2+]CC2CSC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000895422841 735004647 /nfs/dbraw/zinc/00/46/47/735004647.db2.gz PYJIUFDXLMOSBR-UHFFFAOYSA-N 1 0 366.361 2.997 20 5 FFBDRO CO[C@@H](C[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])C1CCOCC1 ZINC000895611179 735031926 /nfs/dbraw/zinc/03/19/26/735031926.db2.gz SKBLJKFWSJSRSX-HNNXBMFYSA-N 1 0 373.247 2.889 20 5 FFBDRO COc1c(O)ccc(C[NH2+]CCOC(F)(F)C(F)(F)F)c1[N+](=O)[O-] ZINC000895932059 735075617 /nfs/dbraw/zinc/07/56/17/735075617.db2.gz WYHXMNOXSBAYII-UHFFFAOYSA-N 1 0 360.235 2.570 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]Cc3nc4c(s3)CCC4)CC2)cn1 ZINC000896288045 735132966 /nfs/dbraw/zinc/13/29/66/735132966.db2.gz SHPVVVVJOZLXNE-UHFFFAOYSA-N 1 0 359.455 2.694 20 5 FFBDRO C[C@@]1([C@@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])c(Cl)c3)C2)COC(=O)N1 ZINC000896394752 735152473 /nfs/dbraw/zinc/15/24/73/735152473.db2.gz FSJLNRIASNBVPG-WBMJQRKESA-N 1 0 353.806 2.959 20 5 FFBDRO Cn1cc([C@@H](O)C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)cn1 ZINC000742375951 735234492 /nfs/dbraw/zinc/23/44/92/735234492.db2.gz KAQNTQLMMUSPBF-INIZCTEOSA-N 1 0 358.423 2.880 20 5 FFBDRO COc1cc(F)c([N+](=O)[O-])c(N2CCC(OCCC[NH+](C)C)CC2)c1 ZINC000749101590 735694255 /nfs/dbraw/zinc/69/42/55/735694255.db2.gz DFGABSZCBTXYKY-UHFFFAOYSA-N 1 0 355.410 2.680 20 5 FFBDRO C[NH+](C)Cc1ccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)cc1F ZINC000749249950 735708282 /nfs/dbraw/zinc/70/82/82/735708282.db2.gz GAGKSBLNCXTLHQ-UHFFFAOYSA-N 1 0 350.325 2.769 20 5 FFBDRO COc1cc([C@H](C)[NH2+][C@@H]2CCC[C@@H](S(C)(=O)=O)C2)cc([N+](=O)[O-])c1 ZINC000903120903 736034930 /nfs/dbraw/zinc/03/49/30/736034930.db2.gz PBMBPCFSWNSSJX-NORZTCDRSA-N 1 0 356.444 2.610 20 5 FFBDRO COc1cc([C@H](C)NCCC[N@@H+]2CCCO[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000903160467 736045034 /nfs/dbraw/zinc/04/50/34/736045034.db2.gz MMOYSLOTQZGUPN-GJZGRUSLSA-N 1 0 351.447 2.755 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@@H]2CC[C@@H](C(F)(F)F)O2)n1 ZINC000903180164 736050141 /nfs/dbraw/zinc/05/01/41/736050141.db2.gz YCGIYMODMYWLRV-RVMXOQNASA-N 1 0 362.352 2.975 20 5 FFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1cn(C)nc1Br ZINC000903188617 736051687 /nfs/dbraw/zinc/05/16/87/736051687.db2.gz TVEGKOZLAPHOAO-VIFPVBQESA-N 1 0 371.210 2.951 20 5 FFBDRO Cc1c(Br)c(N2CCC[C@H](C[NH+](C)C)C2)ncc1[N+](=O)[O-] ZINC000754033673 736117824 /nfs/dbraw/zinc/11/78/24/736117824.db2.gz ZGNWJQXSDHVIET-LLVKDONJSA-N 1 0 357.252 2.839 20 5 FFBDRO CC[N@@H+]1CCN([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C[C@@H]1C ZINC000754389003 736155171 /nfs/dbraw/zinc/15/51/71/736155171.db2.gz XOPULNIVZMGOGF-NWDGAFQWSA-N 1 0 354.838 2.601 20 5 FFBDRO [NH3+][C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@H]1C(F)(F)F ZINC000903982137 736199545 /nfs/dbraw/zinc/19/95/45/736199545.db2.gz LMUDHUYQYUEJGX-NXEZZACHSA-N 1 0 355.263 2.518 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@H]2CCSC3(CCC3)C2)c1 ZINC000905599849 736367092 /nfs/dbraw/zinc/36/70/92/736367092.db2.gz DMASGIAIRURDTL-ZFWWWQNUSA-N 1 0 352.456 2.742 20 5 FFBDRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000905604610 736367999 /nfs/dbraw/zinc/36/79/99/736367999.db2.gz ZUTAGVBJRZPNMC-CYBMUJFWSA-N 1 0 357.439 2.897 20 5 FFBDRO O=C(C[N@@H+]1CCC[C@H]2COCC[C@H]21)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000756902169 736371678 /nfs/dbraw/zinc/37/16/78/736371678.db2.gz QMQHQNMSBBBVJB-SMDDNHRTSA-N 1 0 353.806 2.688 20 5 FFBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000758846922 736525974 /nfs/dbraw/zinc/52/59/74/736525974.db2.gz QYTNBSOAJCBMGO-ZDUSSCGKSA-N 1 0 354.838 2.922 20 5 FFBDRO CN(C(=O)CCc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000906649790 736529293 /nfs/dbraw/zinc/52/92/93/736529293.db2.gz CWAXHJSYWKJVAC-HNNXBMFYSA-N 1 0 351.834 2.876 20 5 FFBDRO CC(C)(C)OC(=O)NC(C)(C)C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000759158740 736551885 /nfs/dbraw/zinc/55/18/85/736551885.db2.gz WWZIUQLWFYUEFM-AWEZNQCLSA-N 1 0 353.419 2.521 20 5 FFBDRO CSc1ccc(C(=O)OC[C@@H]2C[N@H+](CC(C)C)CCO2)cc1[N+](=O)[O-] ZINC000759964399 736607073 /nfs/dbraw/zinc/60/70/73/736607073.db2.gz XZSDRZPTMQKBKD-AWEZNQCLSA-N 1 0 368.455 2.830 20 5 FFBDRO CC(C)c1n[nH]c(C(=O)N2CCCC[C@H]2[C@@H](C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000912810578 737342761 /nfs/dbraw/zinc/34/27/61/737342761.db2.gz WIUBJKPXKKSNNK-STQMWFEESA-N 1 0 351.451 2.634 20 5 FFBDRO C[NH+](C)C1(C)CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000913397495 737398990 /nfs/dbraw/zinc/39/89/90/737398990.db2.gz KGKUHARYRDAPPL-UHFFFAOYSA-N 1 0 370.247 2.914 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@H]2COC3(CCCC3)O2)n1 ZINC000774270382 737975750 /nfs/dbraw/zinc/97/57/50/737975750.db2.gz DTXSSPUSZFCNIA-RRFJBIMHSA-N 1 0 350.419 2.550 20 5 FFBDRO CSCc1ccc(C[NH2+][C@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000921747756 738036533 /nfs/dbraw/zinc/03/65/33/738036533.db2.gz ZIHGGHOOKVFLOI-MSOLQXFVSA-N 1 0 362.451 2.642 20 5 FFBDRO COc1cc(C[NH2+]CC[C@@H]2CC[C@@H](C(F)(F)F)O2)c([N+](=O)[O-])cc1O ZINC000922679358 738183661 /nfs/dbraw/zinc/18/36/61/738183661.db2.gz QGEDTSSBXIVPFD-HZMBPMFUSA-N 1 0 364.320 2.899 20 5 FFBDRO O=C(N1CCC[C@H]1C[NH+]1CCCC1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778254187 738366915 /nfs/dbraw/zinc/36/69/15/738366915.db2.gz TZHYDHXHWCCQQO-HNNXBMFYSA-N 1 0 353.369 2.773 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C[C@@H]1C ZINC000778287212 738369556 /nfs/dbraw/zinc/36/95/56/738369556.db2.gz IGQJZEXAKMGWCH-JQWIXIFHSA-N 1 0 363.443 2.544 20 5 FFBDRO CC(C)([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CCOCC1 ZINC000786155944 739029578 /nfs/dbraw/zinc/02/95/78/739029578.db2.gz FUNRROHSOFMQOT-UHFFFAOYSA-N 1 0 355.822 2.982 20 5 FFBDRO C[C@H]([NH2+]CC(C)(C)N1C[C@@H](C)O[C@@H](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788503072 739251537 /nfs/dbraw/zinc/25/15/37/739251537.db2.gz CJBMCAUMPVDODY-MJBXVCDLSA-N 1 0 350.463 2.715 20 5 FFBDRO C[C@](CO)([NH2+]C[C@H]1CCC[C@@H](C(F)(F)F)O1)c1cccc([N+](=O)[O-])c1 ZINC000931469731 739270296 /nfs/dbraw/zinc/27/02/96/739270296.db2.gz FOORVJNYBOMPLR-QLFBSQMISA-N 1 0 362.348 2.892 20 5 FFBDRO COC(=O)N1CCC[C@H]([C@H](C)[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000788752241 739279316 /nfs/dbraw/zinc/27/93/16/739279316.db2.gz DHIWNCRUDHDYQO-DYEKYZERSA-N 1 0 350.419 2.695 20 5 FFBDRO C[C@@]1([C@H]2CCC[N@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)C2)COC(=O)N1 ZINC000932020672 739374477 /nfs/dbraw/zinc/37/44/77/739374477.db2.gz KJFLLGVDUBFLBL-LRDDRELGSA-N 1 0 353.806 2.959 20 5 FFBDRO C[C@]1([C@H]2CCC[N@H+](Cc3cc([N+](=O)[O-])ccc3Cl)C2)COC(=O)N1 ZINC000932027452 739376398 /nfs/dbraw/zinc/37/63/98/739376398.db2.gz YYNMYTAULGCCFM-BLLLJJGKSA-N 1 0 353.806 2.959 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H](c2nc3c(s2)CCC3)C1 ZINC000932188049 739400841 /nfs/dbraw/zinc/40/08/41/739400841.db2.gz IKHFQGBEWJKCHE-CYBMUJFWSA-N 1 0 361.471 2.925 20 5 FFBDRO C[NH+](C)Cc1ccc(S(=O)(=O)Oc2cc(F)cc([N+](=O)[O-])c2)cc1 ZINC000790042400 739411277 /nfs/dbraw/zinc/41/12/77/739411277.db2.gz ZANRFNSLHDVXGT-UHFFFAOYSA-N 1 0 354.359 2.563 20 5 FFBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000790726405 739488053 /nfs/dbraw/zinc/48/80/53/739488053.db2.gz KFXQGJDIGSLDAZ-LBPRGKRZSA-N 1 0 357.813 2.920 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)CCc2cc(F)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000933437236 739625148 /nfs/dbraw/zinc/62/51/48/739625148.db2.gz BIVJOAIZXUVJAY-CJNGLKHVSA-N 1 0 351.422 2.855 20 5 FFBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)C1 ZINC000933769975 739687466 /nfs/dbraw/zinc/68/74/66/739687466.db2.gz DRVPWJYJCKXMAW-JTQLQIEISA-N 1 0 372.828 2.773 20 5 FFBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)CCc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000934547898 739802862 /nfs/dbraw/zinc/80/28/62/739802862.db2.gz JUFLACOLDFETPE-CQSZACIVSA-N 1 0 351.422 2.761 20 5 FFBDRO CN(CCC[NH+]1CCCC1)C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC000935797330 740013018 /nfs/dbraw/zinc/01/30/18/740013018.db2.gz BQKHDMIXRLWKEG-UHFFFAOYSA-N 1 0 358.801 2.527 20 5 FFBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC000935941434 740035204 /nfs/dbraw/zinc/03/52/04/740035204.db2.gz SHKYWJDQSPFSIE-ZJUUUORDSA-N 1 0 370.812 2.668 20 5 FFBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC000935978257 740040607 /nfs/dbraw/zinc/04/06/07/740040607.db2.gz VTQSQKCEWLPJIY-BXKDBHETSA-N 1 0 370.812 2.668 20 5 FFBDRO O=C(NC1CC2(C1)CC([NH2+]Cc1cccc(Cl)c1)C2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000963789496 740656136 /nfs/dbraw/zinc/65/61/36/740656136.db2.gz ZXWZKBRJOLNPBY-YVXVDGILSA-N 1 0 363.845 2.522 20 5 FFBDRO C[C@H]1CCC[C@](CNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)([NH+](C)C)C1 ZINC000801834774 740656222 /nfs/dbraw/zinc/65/62/22/740656222.db2.gz VWUXRWFUPGRYSO-GTNSWQLSSA-N 1 0 352.410 2.556 20 5 FFBDRO CC(C)[N@@H+]1CCO[C@@H](COC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000802136909 740677011 /nfs/dbraw/zinc/67/70/11/740677011.db2.gz KWQCGNZEWCIZFO-MRXNPFEDSA-N 1 0 350.415 2.525 20 5 FFBDRO CN(C)C(=O)CC[NH+]1CCC(Nc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000804444318 740874889 /nfs/dbraw/zinc/87/48/89/740874889.db2.gz ZDXINCMJUBRPEU-UHFFFAOYSA-N 1 0 354.838 2.603 20 5 FFBDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3cc([N+](=O)[O-])ccc3Cl)[C@@H]2C1 ZINC000808446525 741226553 /nfs/dbraw/zinc/22/65/53/741226553.db2.gz KTHJQRQGGPYVSL-MJEQTWJJSA-N 1 0 351.834 2.985 20 5 FFBDRO CC(C)(O)C[NH+]1CCN(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000809940541 741364255 /nfs/dbraw/zinc/36/42/55/741364255.db2.gz MPIMFFXQOMHEHU-UHFFFAOYSA-N 1 0 362.257 2.790 20 5 FFBDRO C[N@H+](CC1CCC(C)(C)CC1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985425767 741394513 /nfs/dbraw/zinc/39/45/13/741394513.db2.gz IIDWIEDSQBWKMC-IAGOWNOFSA-N 1 0 351.491 2.791 20 5 FFBDRO CC[NH+](CC)CC(C)(C)COC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000813149937 741682736 /nfs/dbraw/zinc/68/27/36/741682736.db2.gz GKKHTPWEOBSUMK-UHFFFAOYSA-N 1 0 352.387 2.848 20 5 FFBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)C[C@@H]2C1 ZINC000816778362 742060963 /nfs/dbraw/zinc/06/09/63/742060963.db2.gz WZUOAVRQLIJDES-MNOVXSKESA-N 1 0 357.332 2.637 20 5 FFBDRO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC[NH+](CC2CCC(C)(C)CC2)CC1 ZINC001005381498 742253352 /nfs/dbraw/zinc/25/33/52/742253352.db2.gz MARGSXKTGJHQLK-IAGOWNOFSA-N 1 0 351.491 2.791 20 5 FFBDRO CC[C@H]1CN(C)CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000818972176 742318110 /nfs/dbraw/zinc/31/81/10/742318110.db2.gz TUQRNICFYIVJRP-JTQLQIEISA-N 1 0 374.210 2.663 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@H]2CCOC3(CCSCC3)C2)cc1 ZINC000819179392 742348995 /nfs/dbraw/zinc/34/89/95/742348995.db2.gz NMEPBMVDDGKKBL-HOCLYGCPSA-N 1 0 352.456 2.663 20 5 FFBDRO Cc1nc2c(s1)[C@@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])CCC2 ZINC000819216678 742355568 /nfs/dbraw/zinc/35/55/68/742355568.db2.gz KNLOEIOPBFFSIW-STQMWFEESA-N 1 0 363.439 2.767 20 5 FFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCc2cc(C(F)(F)F)ccn2)c1 ZINC000819333407 742376430 /nfs/dbraw/zinc/37/64/30/742376430.db2.gz JQBFXCSIEUKXAG-HNNXBMFYSA-N 1 0 355.316 2.874 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c1F ZINC000828450476 745068417 /nfs/dbraw/zinc/06/84/17/745068417.db2.gz WFBAQRQRLWNWSH-LBPRGKRZSA-N 1 0 353.369 2.739 20 5 FFBDRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC000828958859 745146457 /nfs/dbraw/zinc/14/64/57/745146457.db2.gz JIMTZECDEUAYGJ-HOTGVXAUSA-N 1 0 351.834 2.876 20 5 FFBDRO C[C@H]([NH2+]C[C@H](O)CCNC(=O)OC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000830173235 745318056 /nfs/dbraw/zinc/31/80/56/745318056.db2.gz WBTSSBDIEBZEQJ-SWLSCSKDSA-N 1 0 353.419 2.521 20 5 FFBDRO CCO[C@@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)C[NH+](C)C ZINC000831770931 745581984 /nfs/dbraw/zinc/58/19/84/745581984.db2.gz GNMPZXKSDJIZQL-ZDUSSCGKSA-N 1 0 351.428 2.506 20 5 FFBDRO C[N@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](CO)CC(C)(C)C ZINC000832094627 745635336 /nfs/dbraw/zinc/63/53/36/745635336.db2.gz RSKYVHWXFGAINU-LBPRGKRZSA-N 1 0 357.838 2.916 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)cc1Cl ZINC000836764469 746300394 /nfs/dbraw/zinc/30/03/94/746300394.db2.gz LPYJAXAEPDBJDR-CYBMUJFWSA-N 1 0 367.833 2.540 20 5 FFBDRO CS[C@@H]1CN(C(=O)c2cc(Cl)c(C)cc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000836779643 746304613 /nfs/dbraw/zinc/30/46/13/746304613.db2.gz ICDCPQXLMVTKIQ-UONOGXRCSA-N 1 0 357.863 2.674 20 5 FFBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000837188416 746389041 /nfs/dbraw/zinc/38/90/41/746389041.db2.gz FEVOIVXNFRUUOD-GFCCVEGCSA-N 1 0 357.813 2.871 20 5 FFBDRO C[C@@H]1CC[C@](CO)([N@H+](C)CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000839568215 746858103 /nfs/dbraw/zinc/85/81/03/746858103.db2.gz KTZVYFWGNFEBTG-BZNIZROVSA-N 1 0 355.822 2.670 20 5 FFBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839603759 746868886 /nfs/dbraw/zinc/86/88/86/746868886.db2.gz VYTPQOADTKBTPD-DOMZBBRYSA-N 1 0 366.849 2.745 20 5 FFBDRO CC1([NH3+])CCN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000841161522 747284369 /nfs/dbraw/zinc/28/43/69/747284369.db2.gz MTRUEGZHBYXUHN-UHFFFAOYSA-N 1 0 357.208 2.702 20 5 FFBDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000841161179 747284454 /nfs/dbraw/zinc/28/44/54/747284454.db2.gz KVNRRJUGRKPVLP-BDAKNGLRSA-N 1 0 357.208 2.558 20 5 FFBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)NCc3cc([N+](=O)[O-])ccc3Cl)C[C@@H]21 ZINC000841854489 747476452 /nfs/dbraw/zinc/47/64/52/747476452.db2.gz AXPXMFBWRDWZGO-RIEGTJTDSA-N 1 0 352.822 2.517 20 5 FFBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000841854945 747477063 /nfs/dbraw/zinc/47/70/63/747477063.db2.gz GXOBKQKVOBBLCE-INIZCTEOSA-N 1 0 352.822 2.533 20 5 FFBDRO [NH3+]C[C@H](NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)C1CCCCC1 ZINC000841854571 747477417 /nfs/dbraw/zinc/47/74/17/747477417.db2.gz CEFYGXWNTXQTMG-HNNXBMFYSA-N 1 0 354.838 2.955 20 5 FFBDRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000842163621 747536863 /nfs/dbraw/zinc/53/68/63/747536863.db2.gz QNUDVEZYRRAZIE-GHMZBOCLSA-N 1 0 362.257 2.789 20 5 FFBDRO [NH3+][C@@H]1CCO[C@@H](C2CCN(C(=O)c3ccc([N+](=O)[O-])c(Cl)c3)CC2)C1 ZINC000842509385 747623541 /nfs/dbraw/zinc/62/35/41/747623541.db2.gz JKKNNGXGCIGNTK-CZUORRHYSA-N 1 0 367.833 2.607 20 5 FFBDRO CC[C@@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)C(=O)NCc1cccs1 ZINC000842909083 747718300 /nfs/dbraw/zinc/71/83/00/747718300.db2.gz QFYNHAHIVIBBFJ-XHDPSFHLSA-N 1 0 362.455 2.984 20 5 FFBDRO O=C(CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000843388222 747821969 /nfs/dbraw/zinc/82/19/69/747821969.db2.gz LPLSFYWREVXEDF-QWHCGFSZSA-N 1 0 366.849 2.508 20 5 FFBDRO O=C(NCCC[C@@H]1CCC[NH2+]1)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000843484930 747843324 /nfs/dbraw/zinc/84/33/24/747843324.db2.gz NSQOZNIGYSBFCJ-JTQLQIEISA-N 1 0 374.210 2.758 20 5 FFBDRO CCCN(C(=O)c1cccc([N+](=O)[O-])c1Br)[C@H]1CC[N@H+](C)C1 ZINC000844146466 747978489 /nfs/dbraw/zinc/97/84/89/747978489.db2.gz OFFQXTBPNCCDEB-NSHDSACASA-N 1 0 370.247 2.914 20 5 FFBDRO C[C@@H]1CCCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1CC[NH3+] ZINC000846226684 748434049 /nfs/dbraw/zinc/43/40/49/748434049.db2.gz TWFARLKASMGXEZ-BXUZGUMPSA-N 1 0 354.838 2.636 20 5 FFBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[N@H+](C)C(C)(C)C1 ZINC000846891744 748567464 /nfs/dbraw/zinc/56/74/64/748567464.db2.gz KRUBFSYOZHSADQ-NSHDSACASA-N 1 0 354.838 2.601 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)OCC[C@@H]2CC[N@H+](C)C2)cc1SC ZINC000847827799 748791624 /nfs/dbraw/zinc/79/16/24/748791624.db2.gz XURURYPDXRTOOU-NSHDSACASA-N 1 0 354.428 2.824 20 5 FFBDRO CC[C@@H](CSC)[N@H+](C)CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848483500 748937775 /nfs/dbraw/zinc/93/77/75/748937775.db2.gz IIOYSEWZTACRQG-GOEBONIOSA-N 1 0 351.472 2.942 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC[S@](=O)CC(F)(F)F ZINC000850494652 749375029 /nfs/dbraw/zinc/37/50/29/749375029.db2.gz RMSBAFBENAWORF-WBNWAKSLSA-N 1 0 354.350 2.565 20 5 FFBDRO COc1cc(C[N@@H+]2C[C@@H]3C[C@]3(O)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000895645900 970814107 /nfs/dbraw/zinc/81/41/07/970814107.db2.gz FEFZTLCRHXZVGR-JXFKEZNVSA-N 1 0 370.405 2.749 20 5 FFBDRO Cc1nn(CN(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c(C)c1[N+](=O)[O-] ZINC000173514175 971162438 /nfs/dbraw/zinc/16/24/38/971162438.db2.gz WCDZVPNSPZYERJ-GOSISDBHSA-N 1 0 357.458 2.820 20 5 FFBDRO C[NH2+]Cc1c(C)nn(-c2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)c1C ZINC001167098744 960025548 /nfs/dbraw/zinc/02/55/48/960025548.db2.gz LTSBTVNIGJHKDE-UHFFFAOYSA-N 1 0 352.398 2.882 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C)cc2)C1 ZINC001174841805 1013315178 /nfs/dbraw/zinc/31/51/78/1013315178.db2.gz DVFOLHWHNBRLQG-INIZCTEOSA-N 1 0 369.421 2.916 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]Cc1ccc(N2CCOCC2)nc1 ZINC000873011169 1013346409 /nfs/dbraw/zinc/34/64/09/1013346409.db2.gz SNEBKMUIPJOEEF-UHFFFAOYSA-N 1 0 356.426 2.733 20 5 FFBDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C1 ZINC000124428856 1013413958 /nfs/dbraw/zinc/41/39/58/1013413958.db2.gz RSTJVXCWRLOEDJ-HNNXBMFYSA-N 1 0 362.474 2.759 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@H]2CCCc2ccccc2)c1 ZINC000135361196 965010274 /nfs/dbraw/zinc/01/02/74/965010274.db2.gz XPQLDRBKMVNVKR-MJGOQNOKSA-N 1 0 358.442 2.640 20 5 FFBDRO C[C@@H]1CCCN(C(=O)Nc2cc(N3CC[NH+](C)CC3)ccc2[N+](=O)[O-])C1 ZINC000934048746 965543316 /nfs/dbraw/zinc/54/33/16/965543316.db2.gz VDNSJIUSOQURTO-CQSZACIVSA-N 1 0 361.446 2.610 20 5 FFBDRO CCC[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000176231278 965637592 /nfs/dbraw/zinc/63/75/92/965637592.db2.gz LPCYHWALKCTNAU-CQSZACIVSA-N 1 0 367.450 2.513 20 5 FFBDRO Cc1cccc(CN(CC[NH+](C)C)C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000825694088 1013621382 /nfs/dbraw/zinc/62/13/82/1013621382.db2.gz RDROGKVAKAFHJE-LJQANCHMSA-N 1 0 371.437 2.527 20 5 FFBDRO CC(=O)N1CCc2cc(N3C(C)(C)CC([NH3+])CC3(C)C)cc([N+](=O)[O-])c21 ZINC001167626825 967033066 /nfs/dbraw/zinc/03/30/66/967033066.db2.gz VHOOWDFJYCRTHI-UHFFFAOYSA-N 1 0 360.458 2.989 20 5 FFBDRO Cn1ncc([N+](=O)[O-])c1Nc1ccc(N2CCC([NH+](C)C)CC2)c(F)c1 ZINC000892320931 967152670 /nfs/dbraw/zinc/15/26/70/967152670.db2.gz LRZZSBFPPRAWRV-UHFFFAOYSA-N 1 0 362.409 2.741 20 5 FFBDRO CC(C)(C)OC(=O)NC1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000052926529 967983930 /nfs/dbraw/zinc/98/39/30/967983930.db2.gz KBGAGPQENXRIIJ-UHFFFAOYSA-N 1 0 365.430 2.963 20 5 FFBDRO CCCCCC[N@H+](C)CC(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000135538966 968079633 /nfs/dbraw/zinc/07/96/33/968079633.db2.gz OFOHJSSEKWTHGW-OAHLLOKOSA-N 1 0 363.462 2.515 20 5 FFBDRO COCC[NH+]1CCC(Oc2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC001226788937 968089615 /nfs/dbraw/zinc/08/96/15/968089615.db2.gz BSZKWEMCILWBDG-UHFFFAOYSA-N 1 0 359.220 2.847 20 5 FFBDRO O=[N+]([O-])c1cc(O[C@H]2CCC[NH2+]C[C@@H]2F)c(F)cc1Br ZINC001217947309 969189684 /nfs/dbraw/zinc/18/96/84/969189684.db2.gz ILNZMYCJYUANEJ-ONGXEEELSA-N 1 0 351.147 2.965 20 5 FFBDRO O=[N+]([O-])c1cc(Br)cc(Br)c1O[C@H]1CC[NH2+]C1 ZINC001218180123 969494643 /nfs/dbraw/zinc/49/46/43/969494643.db2.gz HVMUUPOQBHZIKK-ZETCQYMHSA-N 1 0 366.009 2.861 20 5 FFBDRO Cn1ncc([N+](=O)[O-])c1Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000892616311 969606821 /nfs/dbraw/zinc/60/68/21/969606821.db2.gz ZWUZHWLBPHOCTO-UHFFFAOYSA-N 1 0 358.446 2.850 20 5 FFBDRO C[C@@H]([NH2+]C[C@H]1COCCN1C(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000311304460 969869402 /nfs/dbraw/zinc/86/94/02/969869402.db2.gz OCJGCPJIBCFHOT-CJNGLKHVSA-N 1 0 365.430 2.881 20 5 FFBDRO CCC[N@H+](C)C[C@@H]1CCN(c2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])C1 ZINC000892721385 970249176 /nfs/dbraw/zinc/24/91/76/970249176.db2.gz MGWXZGKLWZIVRJ-AWEZNQCLSA-N 1 0 358.442 2.615 20 5 FFBDRO C[C@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000893011140 970495812 /nfs/dbraw/zinc/49/58/12/970495812.db2.gz CCLNHBAURYZXJZ-QWHCGFSZSA-N 1 0 359.430 2.806 20 5 FFBDRO C[C@@H](CNC(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2)c1ccccc1[N+](=O)[O-] ZINC000897059248 973205179 /nfs/dbraw/zinc/20/51/79/973205179.db2.gz BGQIRQMUGXXNFE-HNAYVOBHSA-N 1 0 360.458 2.826 20 5 FFBDRO C[C@@H](CNC(=O)N1CCCC12CC[NH+](C)CC2)c1ccccc1[N+](=O)[O-] ZINC000897062310 973213519 /nfs/dbraw/zinc/21/35/19/973213519.db2.gz RVEWUKSDUYACLQ-HNNXBMFYSA-N 1 0 360.458 2.968 20 5 FFBDRO C[C@@H]1CCCN(CC[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000237465794 973467526 /nfs/dbraw/zinc/46/75/26/973467526.db2.gz LYBPNILWYICGRJ-OAHLLOKOSA-N 1 0 357.458 2.817 20 5 FFBDRO CC[NH+]1CCN(c2cc(N(C)C(=O)C3CC=CC3)cc([N+](=O)[O-])c2)CC1 ZINC000876231430 1014190187 /nfs/dbraw/zinc/19/01/87/1014190187.db2.gz WUZXGWJUMMLBBJ-UHFFFAOYSA-N 1 0 358.442 2.666 20 5 FFBDRO C[C@H](OC(=O)[C@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1)c1ccccc1[N+](=O)[O-] ZINC000876466365 1014278184 /nfs/dbraw/zinc/27/81/84/1014278184.db2.gz BCITYVLUSRUNCJ-JQFCIGGWSA-N 1 0 372.425 2.668 20 5 FFBDRO Cc1ncccc1OC[C@@H]1CCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000842173445 976715230 /nfs/dbraw/zinc/71/52/30/976715230.db2.gz PSEPUHRJAQKREQ-ZWKOTPCHSA-N 1 0 357.410 2.875 20 5 FFBDRO O=C(CCc1cc(F)ccc1[N+](=O)[O-])N1CCCN(c2cc[nH+]cc2)CC1 ZINC000899174372 976994073 /nfs/dbraw/zinc/99/40/73/976994073.db2.gz GDQZPVSDZWRLSL-UHFFFAOYSA-N 1 0 372.400 2.800 20 5 FFBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000843814426 977306377 /nfs/dbraw/zinc/30/63/77/977306377.db2.gz KMNNFVGEHAEDHY-UHFFFAOYSA-N 1 0 367.421 2.615 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1CN1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000876781103 1014391795 /nfs/dbraw/zinc/39/17/95/1014391795.db2.gz CTQBWSWOVQNIQD-QFBILLFUSA-N 1 0 360.502 2.669 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000876919492 1014420334 /nfs/dbraw/zinc/42/03/34/1014420334.db2.gz VIJLFHPUQOKDAF-QAPCUYQASA-N 1 0 361.442 2.570 20 5 FFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(CC[NH2+]CCCc2ccccc2)CC1 ZINC001481998163 977905579 /nfs/dbraw/zinc/90/55/79/977905579.db2.gz MHYWVSZSYKEYIF-RTBURBONSA-N 1 0 359.470 2.503 20 5 FFBDRO O=[N+]([O-])c1c(F)cccc1NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000729182897 978196428 /nfs/dbraw/zinc/19/64/28/978196428.db2.gz ZYMVNXIWPPKMPQ-UHFFFAOYSA-N 1 0 374.420 2.538 20 5 FFBDRO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877374953 1014566229 /nfs/dbraw/zinc/56/62/29/1014566229.db2.gz MBGIAZLCAAYASS-MRTGAJDVSA-N 1 0 355.442 2.605 20 5 FFBDRO Cn1cc([C@@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)c2ccc(F)cc2)cn1 ZINC000877410900 1014577966 /nfs/dbraw/zinc/57/79/66/1014577966.db2.gz KCZCRVAMAWCZTI-HTWSVDAQSA-N 1 0 370.388 2.747 20 5 FFBDRO COC(=O)[C@@H]1CCN([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1C ZINC000249107222 979413923 /nfs/dbraw/zinc/41/39/23/979413923.db2.gz QPNIVJNVDXWCPE-LALPHHSUSA-N 1 0 374.397 2.837 20 5 FFBDRO C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)CCC(=O)OC(C)(C)C ZINC000128896581 980145962 /nfs/dbraw/zinc/14/59/62/980145962.db2.gz VMRCICFMYGTEDD-UHFFFAOYSA-N 1 0 369.393 2.726 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CC[C@@H]1OCCc2ccccc21 ZINC000905625005 980475265 /nfs/dbraw/zinc/47/52/65/980475265.db2.gz ONVOZTKDSMHKIE-APWZRJJASA-N 1 0 372.421 2.628 20 5 FFBDRO COCCN(C)c1ccc(C[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])cn1 ZINC000897464088 981132203 /nfs/dbraw/zinc/13/22/03/981132203.db2.gz KNTGRKBKWGXBTM-HNNXBMFYSA-N 1 0 358.442 2.966 20 5 FFBDRO Cn1cc([N+](=O)[O-])c(C(=O)OC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)n1 ZINC000780396829 981291310 /nfs/dbraw/zinc/29/13/10/981291310.db2.gz DPBPYQAFNXKJGO-SFHVURJKSA-N 1 0 358.398 2.540 20 5 FFBDRO Cn1ccnc1[C@H](NC[C@@H]1CC[C@H](C2CC2)O1)c1cccc([N+](=O)[O-])c1 ZINC000897509982 981374315 /nfs/dbraw/zinc/37/43/15/981374315.db2.gz HXCYMOSEOGPSOU-RCCFBDPRSA-N 1 0 356.426 2.965 20 5 FFBDRO CONC(=O)C1CC[NH+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000877786632 1014729366 /nfs/dbraw/zinc/72/93/66/1014729366.db2.gz QSCCZFGEKVFDQY-UHFFFAOYSA-N 1 0 359.382 2.744 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NC1CCC2(CC1)CC[NH+](C)CC2 ZINC000908494454 981447632 /nfs/dbraw/zinc/44/76/32/981447632.db2.gz FLZHWBBEBJTDTM-UHFFFAOYSA-N 1 0 361.442 2.988 20 5 FFBDRO COC(=O)CC[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000877822953 1014740679 /nfs/dbraw/zinc/74/06/79/1014740679.db2.gz VMRQIVDOJUJEQS-CYBMUJFWSA-N 1 0 364.398 2.627 20 5 FFBDRO O=C(NC1CC2(C1)CC([NH2+]Cc1cc3ccccc3o1)C2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000963788841 1014763662 /nfs/dbraw/zinc/76/36/62/1014763662.db2.gz SYVSORSFWFQEKD-DYWMREIESA-N 1 0 369.421 2.615 20 5 FFBDRO O=C(NC1CC[NH+](C2CC2)CC1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000043937701 981894735 /nfs/dbraw/zinc/89/47/35/981894735.db2.gz SQKKVEVSOICQIQ-UHFFFAOYSA-N 1 0 372.469 2.942 20 5 FFBDRO C[NH+](C)CCC1CCN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000877989186 1014799885 /nfs/dbraw/zinc/79/98/85/1014799885.db2.gz QVBPYXXLLLGARQ-UHFFFAOYSA-N 1 0 359.430 2.809 20 5 FFBDRO CCN(C(=O)c1cc2ccccc2c([N+](=O)[O-])c1N)C1CC[NH+](C)CC1 ZINC000897897537 982547046 /nfs/dbraw/zinc/54/70/46/982547046.db2.gz YBDTYXXCTSQVDI-UHFFFAOYSA-N 1 0 356.426 2.887 20 5 FFBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CCC(CC[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000843797695 982676156 /nfs/dbraw/zinc/67/61/56/982676156.db2.gz IKOFHUCXDISSLB-UHFFFAOYSA-N 1 0 364.402 2.615 20 5 FFBDRO C[NH+](C)C1(C)CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 ZINC000913405602 984257297 /nfs/dbraw/zinc/25/72/97/984257297.db2.gz XQQUTFUVCNKGSW-UHFFFAOYSA-N 1 0 360.458 2.751 20 5 FFBDRO O=C(C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)NCc1ccccc1 ZINC000765384406 985064964 /nfs/dbraw/zinc/06/49/64/985064964.db2.gz YERWWLAWWZGHTF-SFHVURJKSA-N 1 0 353.422 2.822 20 5 FFBDRO CCOC(=O)c1cnc(N2C[C@@H](CC[NH3+])c3ccccc32)c([N+](=O)[O-])c1 ZINC001168543749 985188471 /nfs/dbraw/zinc/18/84/71/985188471.db2.gz DJKIFJKVQSDORW-GFCCVEGCSA-N 1 0 356.382 2.751 20 5 FFBDRO C[C@H](CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)NC(=O)OC(C)(C)C ZINC000785439482 985490511 /nfs/dbraw/zinc/49/05/11/985490511.db2.gz OOMXHFDTZUWIMT-CQSZACIVSA-N 1 0 364.446 2.630 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])c(N[C@H]2CCCC[C@@H]2[NH+](C)C)cc1OC ZINC001168601171 985764790 /nfs/dbraw/zinc/76/47/90/985764790.db2.gz LDQBVLBPJWOTNW-JSGCOSHPSA-N 1 0 351.403 2.675 20 5 FFBDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000063758210 986056977 /nfs/dbraw/zinc/05/69/77/986056977.db2.gz KLVUSSPKYIKZOX-ZDUSSCGKSA-N 1 0 364.402 2.887 20 5 FFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000193054015 987278490 /nfs/dbraw/zinc/27/84/90/987278490.db2.gz YVNXCSGYHXNLMH-SFHVURJKSA-N 1 0 354.410 2.865 20 5 FFBDRO COc1ccc(CC(=O)OC[C@H]2CCC[N@@H+]2Cc2ccco2)cc1[N+](=O)[O-] ZINC000765966479 987488229 /nfs/dbraw/zinc/48/82/29/987488229.db2.gz GAKPPYGVROJQNV-OAHLLOKOSA-N 1 0 374.393 2.947 20 5 FFBDRO CC1([NH+]2CCC2)CCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)CC1 ZINC000922169046 988001897 /nfs/dbraw/zinc/00/18/97/988001897.db2.gz GRWBKAPOBQWGMW-UHFFFAOYSA-N 1 0 369.425 2.685 20 5 FFBDRO O=[N+]([O-])c1ccc(NCCC[N@@H+]2CCc3ccccc3C2)c2nonc21 ZINC000914863591 988002882 /nfs/dbraw/zinc/00/28/82/988002882.db2.gz UYIQYWXDPRHYEG-UHFFFAOYSA-N 1 0 353.382 2.991 20 5 FFBDRO [NH3+]CCc1nc(-c2ccccc2)nn1-c1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC001168708311 988007238 /nfs/dbraw/zinc/00/72/38/988007238.db2.gz NZRKCLORBMLFQC-UHFFFAOYSA-N 1 0 364.409 2.618 20 5 FFBDRO CC(C)O[C@]1(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000922612071 988753887 /nfs/dbraw/zinc/75/38/87/988753887.db2.gz USMQYCPYLLLPFD-IBGZPJMESA-N 1 0 374.441 2.669 20 5 FFBDRO CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000766007191 988990404 /nfs/dbraw/zinc/99/04/04/988990404.db2.gz OHVCZDONDAAZCE-WBVHZDCISA-N 1 0 374.485 2.800 20 5 FFBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC2(CC1)CC[NH+](C)CC2 ZINC000879249588 1015438956 /nfs/dbraw/zinc/43/89/56/1015438956.db2.gz VQPLLZVGGNNDIH-OAHLLOKOSA-N 1 0 360.458 2.730 20 5 FFBDRO CC[C@H](CO)[NH2+][C@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000915875554 989160946 /nfs/dbraw/zinc/16/09/46/989160946.db2.gz QSJPQSWFCZWMSF-QAPCUYQASA-N 1 0 357.410 2.944 20 5 FFBDRO Cc1c(CC(=O)N2CC[NH2+][C@@H](Cc3ccc(F)cc3)C2)cccc1[N+](=O)[O-] ZINC001168752179 989520779 /nfs/dbraw/zinc/52/07/79/989520779.db2.gz GLFRALYNIHGNGN-SFHVURJKSA-N 1 0 371.412 2.628 20 5 FFBDRO O=[N+]([O-])c1ccnn1CN1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000917421541 990217130 /nfs/dbraw/zinc/21/71/30/990217130.db2.gz SUKFSBQHNDEFRB-UHFFFAOYSA-N 1 0 351.410 2.720 20 5 FFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+](CCc2ccccc2)[C@@H]2CCOC2)c1 ZINC000154429147 990238019 /nfs/dbraw/zinc/23/80/19/990238019.db2.gz BEFQZYZZWWFTNH-UXHICEINSA-N 1 0 356.422 2.962 20 5 FFBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)Nc3ccc([N+](=O)[O-])c4ccncc34)CC[C@H]21 ZINC000880164946 1015771046 /nfs/dbraw/zinc/77/10/46/1015771046.db2.gz HIQPWPPHTVNWFA-MLGOLLRUSA-N 1 0 355.398 2.701 20 5 FFBDRO CCOc1cc(CN2CCC[C@@H]([NH2+]C3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000880206101 1015780371 /nfs/dbraw/zinc/78/03/71/1015780371.db2.gz XWXYVBMLYFNMRA-QGZVFWFLSA-N 1 0 363.458 2.727 20 5 FFBDRO CCCC[C@H](C)[N@H+](C)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000810125049 994708121 /nfs/dbraw/zinc/70/81/21/994708121.db2.gz MXSXRUNIDAKLAJ-INIZCTEOSA-N 1 0 362.474 2.754 20 5 FFBDRO Cn1cc(C(=O)O[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000810848501 994954616 /nfs/dbraw/zinc/95/46/16/994954616.db2.gz VSJLCJMOPDGURP-CVEARBPZSA-N 1 0 370.409 2.779 20 5 FFBDRO O=[N+]([O-])c1cn(C[N@@H+]2CCC[C@H]([C@H]3CCOC3)C2)nc1-c1ccncc1 ZINC000747828594 995573217 /nfs/dbraw/zinc/57/32/17/995573217.db2.gz GVNYXLPGNJUNNK-HOTGVXAUSA-N 1 0 357.414 2.559 20 5 FFBDRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC001133729263 995676330 /nfs/dbraw/zinc/67/63/30/995676330.db2.gz TWLGXHKYYNPLMS-IJVDHGTGSA-N 1 0 352.394 2.740 20 5 FFBDRO C[C@@H]1C[C@@H](NC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)C[N@@H+]1Cc1ccccc1 ZINC000823981541 996772038 /nfs/dbraw/zinc/77/20/38/996772038.db2.gz ZLFFQTLOWCSMEM-CZUORRHYSA-N 1 0 369.425 2.962 20 5 FFBDRO C[NH+](C)CCCOc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2N)c1 ZINC001136810571 996775769 /nfs/dbraw/zinc/77/57/69/996775769.db2.gz GJSUCICXFBYMGR-UHFFFAOYSA-N 1 0 358.398 2.760 20 5 FFBDRO O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000824616432 997014794 /nfs/dbraw/zinc/01/47/94/997014794.db2.gz VWGMXBDSGSKORX-RBUKOAKNSA-N 1 0 369.421 2.582 20 5 FFBDRO C[NH2+]C[C@@H](C)c1noc(-c2cccc(Cn3nc([N+](=O)[O-])cc3C)c2)n1 ZINC000844683774 998076657 /nfs/dbraw/zinc/07/66/57/998076657.db2.gz XEKASPQHHDGSAB-LLVKDONJSA-N 1 0 356.386 2.521 20 5 FFBDRO COCC[N@@H+]1CCN(C(=O)/C=C(\C)c2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC000844948764 998269341 /nfs/dbraw/zinc/26/93/41/998269341.db2.gz GZIVRFMILJVJCD-FYWRMAATSA-N 1 0 361.442 2.567 20 5 FFBDRO Cc1ccc(CC[NH+]2CCC(C3(NC(=O)[C@@H]4C[C@H]4[N+](=O)[O-])CC3)CC2)cc1 ZINC001000152297 1016247842 /nfs/dbraw/zinc/24/78/42/1016247842.db2.gz CPDBMLCZPAOYLW-RTBURBONSA-N 1 0 371.481 2.564 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2cnn(C[NH+]3CCC(C4OCCO4)CC3)c2)cc1 ZINC000738137310 999620986 /nfs/dbraw/zinc/62/09/86/999620986.db2.gz CWQSUMTWOFAHOF-UHFFFAOYSA-N 1 0 358.398 2.501 20 5 FFBDRO Cc1nn(CN2C[C@H]([NH+](C)C)Cc3ccccc32)c2ncc([N+](=O)[O-])cc12 ZINC000766340890 999966319 /nfs/dbraw/zinc/96/63/19/999966319.db2.gz SGKUQRCCFXBPLK-MRXNPFEDSA-N 1 0 366.425 2.598 20 5 FFBDRO Cc1nn(CN2C[C@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000766376525 999989905 /nfs/dbraw/zinc/98/99/05/999989905.db2.gz NZJJPPXONHQCEJ-LSDHHAIUSA-N 1 0 357.458 2.960 20 5 FFBDRO [NH3+]CCc1cnn(-c2cc([N+](=O)[O-])cc3cc(Br)cnc32)c1 ZINC001168949981 1000011290 /nfs/dbraw/zinc/01/12/90/1000011290.db2.gz QGWPXTQRSNGBSE-UHFFFAOYSA-N 1 0 362.187 2.592 20 5 FFBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C2(c3ccc(Br)cc3)COC2)C1 ZINC001168976024 1000012070 /nfs/dbraw/zinc/01/20/70/1000012070.db2.gz YHSRHPGYTHNGOJ-RISCZKNCSA-N 1 0 355.232 2.710 20 5 FFBDRO CC(C)(C)OC(=O)N1CCC[C@](F)(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168964782 1000012915 /nfs/dbraw/zinc/01/29/15/1000012915.db2.gz WEIVJCGXWVPDKG-KEYYUXOJSA-N 1 0 359.442 2.761 20 5 FFBDRO C[C@H](c1ccccc1)[C@@H](CO)[NH2+]Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001168995508 1000013974 /nfs/dbraw/zinc/01/39/74/1000013974.db2.gz ONMWBLRSKTYGHL-CZUORRHYSA-N 1 0 368.393 2.899 20 5 FFBDRO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC[C@@H]21 ZINC001169010724 1000015245 /nfs/dbraw/zinc/01/52/45/1000015245.db2.gz FUIAMHHSKRWEKK-JJXSEGSLSA-N 1 0 353.463 2.763 20 5 FFBDRO CC(C)(C)OC(=O)N[C@@]12CCC[C@@H]1C[N@@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169011034 1000015448 /nfs/dbraw/zinc/01/54/48/1000015448.db2.gz HLXXRBZEVGUMBL-ZXFNITATSA-N 1 0 353.463 2.811 20 5 FFBDRO COC(=O)c1ccc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c(Br)c1 ZINC001168987030 1000015866 /nfs/dbraw/zinc/01/58/66/1000015866.db2.gz HEKNEBUIKHWXNF-ZWNOBZJWSA-N 1 0 371.231 2.771 20 5 FFBDRO CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CC[C@H]1C[N@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169036015 1000016564 /nfs/dbraw/zinc/01/65/64/1000016564.db2.gz FCQMIMYBBKZDQW-QMHWVQJVSA-N 1 0 353.463 2.667 20 5 FFBDRO CC(C)(C)NC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169037965 1000016630 /nfs/dbraw/zinc/01/66/30/1000016630.db2.gz ULJUQMQQOIPVBR-WBAXXEDZSA-N 1 0 359.470 2.773 20 5 FFBDRO CC(C)(C)NC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169037963 1000016660 /nfs/dbraw/zinc/01/66/60/1000016660.db2.gz ULJUQMQQOIPVBR-OLMNPRSZSA-N 1 0 359.470 2.773 20 5 FFBDRO CN1c2ccccc2C2(CC[NH+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)CC1=O ZINC001169018638 1000017305 /nfs/dbraw/zinc/01/73/05/1000017305.db2.gz BIWYMIWFVVGLKM-HZPDHXFCSA-N 1 0 357.454 2.832 20 5 FFBDRO CN1C(=O)C2(CC[NH+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)[C@@H]1c1ccccc1 ZINC001169024854 1000018102 /nfs/dbraw/zinc/01/81/02/1000018102.db2.gz RPOPRYRKWHGSKR-JQHSSLGASA-N 1 0 357.454 2.727 20 5 FFBDRO COC(=O)c1ccc(OC2CC[NH+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)cc1 ZINC001169026585 1000018224 /nfs/dbraw/zinc/01/82/24/1000018224.db2.gz NAMOUGYHCJPARM-HOCLYGCPSA-N 1 0 362.426 2.762 20 5 FFBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2C[C@@H]3COC[C@]3(COCC3CCCC3)C2)C1 ZINC001169025797 1000018276 /nfs/dbraw/zinc/01/82/76/1000018276.db2.gz VJGAENBQOIRTFY-AKHDSKFASA-N 1 0 352.475 2.587 20 5 FFBDRO CC(C)(C)OC(=O)NC(=S)C1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169048294 1000018689 /nfs/dbraw/zinc/01/86/89/1000018689.db2.gz UHPMWUFDRKMSTJ-GXTWGEPZSA-N 1 0 371.503 2.996 20 5 FFBDRO Cc1ccc(NCCCNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)c([N+](=O)[O-])c1 ZINC001147330726 1000872626 /nfs/dbraw/zinc/87/26/26/1000872626.db2.gz CJAOBOIGJWJMTN-RDJZCZTQSA-N 1 0 360.458 2.838 20 5 FFBDRO C/C(=C\C(=O)NC(C)(C)CC[NH+]1CCN(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000771663333 1001171976 /nfs/dbraw/zinc/17/19/76/1001171976.db2.gz MGZRWMQPFSSGET-FOCLMDBBSA-N 1 0 374.485 2.530 20 5 FFBDRO C[N@@H+]1CCCC[C@H]1CCOC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000786787011 1001626861 /nfs/dbraw/zinc/62/68/61/1001626861.db2.gz JMYQMUCYPCWWCM-AWEZNQCLSA-N 1 0 373.409 2.939 20 5 FFBDRO CC[NH+](CC)Cc1ccc(C(=O)OCCn2c(C)ncc2[N+](=O)[O-])cc1 ZINC000788180206 1001764930 /nfs/dbraw/zinc/76/49/30/1001764930.db2.gz NUXGAOMMPZLLRT-UHFFFAOYSA-N 1 0 360.414 2.799 20 5 FFBDRO Cc1c(N(C(N)=[NH2+])c2ccc(N3CCOCC3)cc2)cc(F)cc1[N+](=O)[O-] ZINC001170166908 1003013276 /nfs/dbraw/zinc/01/32/76/1003013276.db2.gz WXPBOHNUKIHEFP-UHFFFAOYSA-N 1 0 373.388 2.910 20 5 FFBDRO Cc1c(F)cc([N+](=O)[O-])cc1N(C(N)=[NH2+])c1ccc(N2CCOCC2)cc1 ZINC001170170432 1003025606 /nfs/dbraw/zinc/02/56/06/1003025606.db2.gz QUXIMIBFTNJHCP-UHFFFAOYSA-N 1 0 373.388 2.910 20 5 FFBDRO COC(=O)[C@H]1CC[C@@H]([NH2+][C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC001170305809 1003094687 /nfs/dbraw/zinc/09/46/87/1003094687.db2.gz QDGNJYMZIDJUPU-KCQAQPDRSA-N 1 0 350.415 2.856 20 5 FFBDRO COc1ccc(C[C@H](C)[NH2+][C@@H](CO)COCc2ccccc2)c([N+](=O)[O-])c1 ZINC001170311347 1003103038 /nfs/dbraw/zinc/10/30/38/1003103038.db2.gz ALCYAZOOHVBVNY-YJBOKZPZSA-N 1 0 374.437 2.702 20 5 FFBDRO COc1ccc(C[C@@H](C)[NH2+][C@H](CO)Cc2cccc(F)c2)c([N+](=O)[O-])c1 ZINC001170313396 1003104339 /nfs/dbraw/zinc/10/43/39/1003104339.db2.gz MDRYGZSGNSXJAR-DYVFJYSZSA-N 1 0 362.401 2.867 20 5 FFBDRO COc1ccc(C[C@@H](C)[NH2+]C[C@@H](CO)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC001170313288 1003104345 /nfs/dbraw/zinc/10/43/45/1003104345.db2.gz KOOOKCPTABINRW-WBVHZDCISA-N 1 0 358.438 2.975 20 5 FFBDRO COc1ccc(C[C@@H](C)[NH2+]CCN2CCC(F)(F)CC2)c([N+](=O)[O-])c1 ZINC001170317292 1003106282 /nfs/dbraw/zinc/10/62/82/1003106282.db2.gz DXWPMEYFKCPPKH-CYBMUJFWSA-N 1 0 357.401 2.855 20 5 FFBDRO CCCCC[C@H]([NH2+][C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])C(=O)NC ZINC001170317766 1003108497 /nfs/dbraw/zinc/10/84/97/1003108497.db2.gz LFFXMUJNIGLWCF-BBRMVZONSA-N 1 0 351.447 2.819 20 5 FFBDRO COCC1(C[NH2+][C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CCOCC1 ZINC001170326583 1003113769 /nfs/dbraw/zinc/11/37/69/1003113769.db2.gz NFPABSPHAFBFDT-CQSZACIVSA-N 1 0 352.431 2.567 20 5 FFBDRO COc1ccc(C[C@@H](C)n2c(=N)sc3c2CC[C@H]([NH3+])C3)c([N+](=O)[O-])c1 ZINC001170309660 1003121256 /nfs/dbraw/zinc/12/12/56/1003121256.db2.gz RCTPNZTVXVFENQ-PWSUYJOCSA-N 1 0 362.455 2.566 20 5 FFBDRO COC(=O)[C@@H]1C[C@@H](C)C[N@@H+]([C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170345428 1003131897 /nfs/dbraw/zinc/13/18/97/1003131897.db2.gz KIIIUASYEWWOGH-VNHYZAJKSA-N 1 0 350.415 2.665 20 5 FFBDRO CC1(C)CC(C[NH2+]Cc2ccc(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])c(F)c2)C1 ZINC001001525147 1016829481 /nfs/dbraw/zinc/82/94/81/1016829481.db2.gz TWXWMWYLMDFIOP-NVXWUHKLSA-N 1 0 363.433 2.633 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)c1C ZINC001191896785 1003993461 /nfs/dbraw/zinc/99/34/61/1003993461.db2.gz SPBXFBYRGGMJNH-JKSUJKDBSA-N 1 0 367.471 2.507 20 5 FFBDRO CCN(C)C(=O)OC[C@@H]1CCCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000805763464 1004139120 /nfs/dbraw/zinc/13/91/20/1004139120.db2.gz ZXZJYKFEWQVUDC-HNNXBMFYSA-N 1 0 365.430 2.916 20 5 FFBDRO COC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000775814085 1004458959 /nfs/dbraw/zinc/45/89/59/1004458959.db2.gz DXVWDNXELMVOFF-RYUDHWBXSA-N 1 0 362.386 2.693 20 5 FFBDRO COC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000775814087 1004459049 /nfs/dbraw/zinc/45/90/49/1004459049.db2.gz DXVWDNXELMVOFF-VXGBXAGGSA-N 1 0 362.386 2.693 20 5 FFBDRO COCC[N@H+](CCC(=O)OC(C)(C)C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC001198526124 1004647976 /nfs/dbraw/zinc/64/79/76/1004647976.db2.gz PVQPLGMDLHSXTM-UHFFFAOYSA-N 1 0 356.394 2.914 20 5 FFBDRO Cc1cc(C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)c(N)c([N+](=O)[O-])c1 ZINC000104856724 1004836504 /nfs/dbraw/zinc/83/65/04/1004836504.db2.gz HHTMKZVBBPECSA-INIZCTEOSA-N 1 0 360.389 2.657 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1CCC(C)([NH+]2CCC2)CC1 ZINC001195626653 1005001721 /nfs/dbraw/zinc/00/17/21/1005001721.db2.gz DOLQYIQIZLMKJS-UHFFFAOYSA-N 1 0 367.471 2.589 20 5 FFBDRO CC[NH+]1CCC(N(C)C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)CC1 ZINC000825537029 1005425087 /nfs/dbraw/zinc/42/50/87/1005425087.db2.gz QDXNLDATSQUEBP-UHFFFAOYSA-N 1 0 364.402 2.676 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000850434498 1005815347 /nfs/dbraw/zinc/81/53/47/1005815347.db2.gz UKQYXDDELKCIGT-WMLDXEAASA-N 1 0 363.458 2.897 20 5 FFBDRO Cn1ncc(C2CC2)c1C(=O)O[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000851035400 1005858066 /nfs/dbraw/zinc/85/80/66/1005858066.db2.gz KZRQAVFZSRHHSP-INIZCTEOSA-N 1 0 370.409 2.637 20 5 FFBDRO Cn1c(C(=O)O[C@@H]2CC[N@H+](Cc3ccc4c(c3)CCC4)C2)ccc1[N+](=O)[O-] ZINC000776557940 1005928882 /nfs/dbraw/zinc/92/88/82/1005928882.db2.gz LDLFNPCFXQENBE-QGZVFWFLSA-N 1 0 369.421 2.853 20 5 FFBDRO COC(=O)[C@@H](C)C[N@@H+](Cc1ccccc1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776583031 1005954412 /nfs/dbraw/zinc/95/44/12/1005954412.db2.gz YQCPWEIBFLBEKX-KXBFYZLASA-N 1 0 372.421 2.940 20 5 FFBDRO CCN(C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000776590286 1006002973 /nfs/dbraw/zinc/00/29/73/1006002973.db2.gz FUFDGSFEUKPJCR-INIZCTEOSA-N 1 0 365.430 2.569 20 5 FFBDRO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC001133907418 1006027176 /nfs/dbraw/zinc/02/71/76/1006027176.db2.gz WUDPIWZPVBDVMY-INIZCTEOSA-N 1 0 360.389 2.860 20 5 FFBDRO C[N@H+](CCc1ccccc1)[C@@H]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000852514277 1006061561 /nfs/dbraw/zinc/06/15/61/1006061561.db2.gz DWGUQWLZYQUOCP-RTWAWAEBSA-N 1 0 369.465 2.877 20 5 FFBDRO COC(=O)c1ccnc(NC2CCC(C)([NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC001187647817 1006198133 /nfs/dbraw/zinc/19/81/33/1006198133.db2.gz OENCNCKOAWUJPP-UHFFFAOYSA-N 1 0 362.430 2.985 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)N1CC(CC2CCOCC2)C1 ZINC000881918201 1006255605 /nfs/dbraw/zinc/25/56/05/1006255605.db2.gz GZYVLZLLSVPLMP-UHFFFAOYSA-N 1 0 370.409 2.669 20 5 FFBDRO O=[N+]([O-])c1c(F)nccc1NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000881924473 1006257111 /nfs/dbraw/zinc/25/71/11/1006257111.db2.gz OHMPHLQCVUPWCN-UHFFFAOYSA-N 1 0 360.389 2.698 20 5 FFBDRO COc1cc(N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)c([N+](=O)[O-])cc1C ZINC000853296609 1006360672 /nfs/dbraw/zinc/36/06/72/1006360672.db2.gz OEYHTXDHSXCKLU-MRXNPFEDSA-N 1 0 362.474 2.518 20 5 FFBDRO COc1cc(N2CCN(c3cc[nH+]cc3OC)CC2)c([N+](=O)[O-])cc1C ZINC000853563470 1006446088 /nfs/dbraw/zinc/44/60/88/1006446088.db2.gz AWHUBVVTYOEKIP-UHFFFAOYSA-N 1 0 358.398 2.642 20 5 FFBDRO Cc1nn(C[NH+]2CCC([C@H]3CCCCO3)CC2)c2ncc([N+](=O)[O-])cc12 ZINC000853572713 1006453056 /nfs/dbraw/zinc/45/30/56/1006453056.db2.gz UDWSTXZTKMQFQN-QGZVFWFLSA-N 1 0 359.430 2.887 20 5 FFBDRO O=C1CN(C[N@@H+]2CCC[C@H](C3CCC3)C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000853590793 1006463790 /nfs/dbraw/zinc/46/37/90/1006463790.db2.gz UYSKQWJOEOFCFO-HNNXBMFYSA-N 1 0 372.425 2.833 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC[C@H]([NH2+]C3CCOCC3)C2)c2ccncc21 ZINC000882725524 1006490230 /nfs/dbraw/zinc/49/02/30/1006490230.db2.gz UTUOCLKZUHLFAS-HNNXBMFYSA-N 1 0 356.426 2.880 20 5 FFBDRO O=[N+]([O-])c1c(NCC2CC[NH+](Cc3ccncc3)CC2)nc2ccccn21 ZINC000853810624 1006542693 /nfs/dbraw/zinc/54/26/93/1006542693.db2.gz BTNIHOSOHUZYPA-UHFFFAOYSA-N 1 0 366.425 2.962 20 5 FFBDRO C[C@@H]([NH2+][C@H]1CC(=O)N(c2ccccc2F)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815628355 1006720069 /nfs/dbraw/zinc/72/00/69/1006720069.db2.gz YJMZQNKEFICCLV-YPMHNXCESA-N 1 0 358.373 2.772 20 5 FFBDRO O=C1NCCN1c1ccc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000883287005 1006734365 /nfs/dbraw/zinc/73/43/65/1006734365.db2.gz IOXBLQWZUCALJW-QGZVFWFLSA-N 1 0 352.394 2.902 20 5 FFBDRO CN(C)c1cc(F)c(C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000855160980 1007142125 /nfs/dbraw/zinc/14/21/25/1007142125.db2.gz IEUGSOFFHXAYIE-GFCCVEGCSA-N 1 0 366.437 2.650 20 5 FFBDRO C[C@@H](NC(=O)N1CCN(c2cc[nH+]cc2)C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000884086301 1007226744 /nfs/dbraw/zinc/22/67/44/1007226744.db2.gz UJVUMZHGTVRGDO-LSDHHAIUSA-N 1 0 369.425 2.971 20 5 FFBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000113438174 1007405949 /nfs/dbraw/zinc/40/59/49/1007405949.db2.gz RJFHZUVNQBPQBU-AWEZNQCLSA-N 1 0 364.402 2.806 20 5 FFBDRO CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000776821027 1007431689 /nfs/dbraw/zinc/43/16/89/1007431689.db2.gz CCPNLKYTCOIVGS-KBPBESRZSA-N 1 0 365.430 2.950 20 5 FFBDRO CCC1([NH+]2CCC2)CCN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC1 ZINC000884719068 1007518427 /nfs/dbraw/zinc/51/84/27/1007518427.db2.gz XRUXAWGZRBJJEC-UHFFFAOYSA-N 1 0 357.414 2.698 20 5 FFBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CCC3(CC[NH2+]3)CC2)CC1 ZINC000818021924 1007843449 /nfs/dbraw/zinc/84/34/49/1007843449.db2.gz OUTXRKPKXGIIRV-UHFFFAOYSA-N 1 0 372.469 2.799 20 5 FFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@@H](O)CN(C)C(=O)OC(C)(C)C ZINC000818165190 1007874905 /nfs/dbraw/zinc/87/49/05/1007874905.db2.gz QITKQRYFMXIDFF-XJKSGUPXSA-N 1 0 367.446 2.815 20 5 FFBDRO O=C1CCCN1c1ccc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000818942929 1007988292 /nfs/dbraw/zinc/98/82/92/1007988292.db2.gz MSRKICXNKJEOPA-SFHVURJKSA-N 1 0 355.394 2.545 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000818955223 1007993916 /nfs/dbraw/zinc/99/39/16/1007993916.db2.gz OIFXPGQYTZFZNE-AZUAARDMSA-N 1 0 355.438 2.882 20 5 FFBDRO Cc1ccc(OC[C@@H](C)[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000818982630 1007999366 /nfs/dbraw/zinc/99/93/66/1007999366.db2.gz PMDBSRYCBPZBBH-NVXWUHKLSA-N 1 0 360.410 2.700 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@@H]2CCN(c3ccc(F)cc3)C2)cc1 ZINC000818973986 1008013977 /nfs/dbraw/zinc/01/39/77/1008013977.db2.gz AVHAZXUOZXUFFM-IFXJQAMLSA-N 1 0 359.401 2.883 20 5 FFBDRO COc1ccc(CCC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000818975842 1008015631 /nfs/dbraw/zinc/01/56/31/1008015631.db2.gz YRWAVKXCSLTRKL-KRWDZBQOSA-N 1 0 360.410 2.868 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCCc2ccc3c(c2)OCCO3)c1 ZINC000819153531 1008044968 /nfs/dbraw/zinc/04/49/68/1008044968.db2.gz HFZRVLICGARWLA-QGZVFWFLSA-N 1 0 358.394 2.622 20 5 FFBDRO COc1cc2c(cc1C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)O[C@@H](C)C2 ZINC000819183420 1008060561 /nfs/dbraw/zinc/06/05/61/1008060561.db2.gz WPIKAUPHZHLRAE-SJCJKPOMSA-N 1 0 358.394 2.750 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]Cc2ccncc2OCC(F)(F)F)cc1 ZINC000819283947 1008080921 /nfs/dbraw/zinc/08/09/21/1008080921.db2.gz JZXGTTWLPRXZIN-AWEZNQCLSA-N 1 0 371.315 2.754 20 5 FFBDRO O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000858780383 1008422757 /nfs/dbraw/zinc/42/27/57/1008422757.db2.gz OMPNTRDZAFDGFM-INIZCTEOSA-N 1 0 358.442 2.916 20 5 FFBDRO Cc1nn(CCC(=O)O[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(C)c1[N+](=O)[O-] ZINC000117093820 1008757312 /nfs/dbraw/zinc/75/73/12/1008757312.db2.gz YFJISXPQTJBCSE-QGZVFWFLSA-N 1 0 372.425 2.616 20 5 FFBDRO CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000886592842 1008763214 /nfs/dbraw/zinc/76/32/14/1008763214.db2.gz CIWNFSGPYYOWNM-CQSZACIVSA-N 1 0 372.425 2.651 20 5 FFBDRO O=C(NCCCCCC[NH2+]Cc1ccccc1C1CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001178464230 1008998547 /nfs/dbraw/zinc/99/85/47/1008998547.db2.gz RFQDJWDEACIIPJ-RTBURBONSA-N 1 0 359.470 2.995 20 5 FFBDRO Nc1ccc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000824008625 1009291165 /nfs/dbraw/zinc/29/11/65/1009291165.db2.gz RVEQCEHWIDXWPG-OAHLLOKOSA-N 1 0 355.398 2.573 20 5 FFBDRO COc1ccc(C[NH2+]C[C@@H]2CCN2C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC001179647334 1009383325 /nfs/dbraw/zinc/38/33/25/1009383325.db2.gz YOUMMRSBOGDROZ-SFHVURJKSA-N 1 0 371.437 2.976 20 5 FFBDRO C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000861825785 1009573480 /nfs/dbraw/zinc/57/34/80/1009573480.db2.gz YLUHYBVXRWERTG-MOPGFXCFSA-N 1 0 369.421 2.683 20 5 FFBDRO [NH3+]Cc1cccc2c1N(CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)CCC2 ZINC000863551788 1010252005 /nfs/dbraw/zinc/25/20/05/1010252005.db2.gz HWRIAOQELLUYOO-UHFFFAOYSA-N 1 0 372.400 2.974 20 5 FFBDRO Cc1cc(F)cc(C(=O)Nc2cccc(C[N@@H+]3CC[C@@H](O)C3)c2)c1[N+](=O)[O-] ZINC000794562718 1010334769 /nfs/dbraw/zinc/33/47/69/1010334769.db2.gz ADWQKRIHKHBTHG-MRXNPFEDSA-N 1 0 373.384 2.861 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]Cc2cccc3c2OCCO3)n1 ZINC000774244599 1010540789 /nfs/dbraw/zinc/54/07/89/1010540789.db2.gz QLJXEHYFPAWXSG-HUUCEWRRSA-N 1 0 358.398 2.836 20 5 FFBDRO C[C@@H](CNC(=O)Cc1cccc(F)c1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000865697264 1010844593 /nfs/dbraw/zinc/84/45/93/1010844593.db2.gz VKDXAVVWARTBJL-AWEZNQCLSA-N 1 0 359.401 2.913 20 5 FFBDRO C[NH+]1CCC2(CCN(c3nc4ccc([N+](=O)[O-])cc4c(=O)[nH]3)CC2)CC1 ZINC000866055415 1010918200 /nfs/dbraw/zinc/91/82/00/1010918200.db2.gz UYILGXSGAVMSRP-UHFFFAOYSA-N 1 0 357.414 2.556 20 5 FFBDRO COC(=O)C1(Nc2ccc([N+](=O)[O-])cn2)CC[NH+](Cc2ccccc2)CC1 ZINC001171503999 1011359471 /nfs/dbraw/zinc/35/94/71/1011359471.db2.gz PMJPRSLBZLXBHT-UHFFFAOYSA-N 1 0 370.409 2.610 20 5 FFBDRO Cc1ccc(CNC(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000869055867 1011590098 /nfs/dbraw/zinc/59/00/98/1011590098.db2.gz XPMLSFBZPRIFTM-QGZVFWFLSA-N 1 0 360.458 2.824 20 5 FFBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc(-c2csc([C@@H]3CCC[NH2+]3)n2)n1 ZINC001212639141 1011594928 /nfs/dbraw/zinc/59/49/28/1011594928.db2.gz WWTBLVBRUSJCJV-QMMMGPOBSA-N 1 0 362.346 2.727 20 5 FFBDRO Cc1cc(F)c([N+](=O)[O-])cc1-c1nc(-c2ccc3c(n2)CC[NH2+]C3)no1 ZINC001216966381 1032575300 /nfs/dbraw/zinc/57/53/00/1032575300.db2.gz FMKQVCBDTJRKFX-UHFFFAOYSA-N 1 0 355.329 2.800 20 5 FFBDRO COC(=O)c1ccnc(C[NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)c1 ZINC001172898064 1012072964 /nfs/dbraw/zinc/07/29/64/1012072964.db2.gz FXZFBNGZMZSREM-MRXNPFEDSA-N 1 0 355.394 2.814 20 5 FFBDRO N=c1sc2c(n1[C@@H]1CCc3ccc([N+](=O)[O-])cc3CC1)CC[C@H]([NH3+])C2 ZINC001172898225 1012073302 /nfs/dbraw/zinc/07/33/02/1012073302.db2.gz HWMBRAIXLSCWGQ-UONOGXRCSA-N 1 0 358.467 2.873 20 5 FFBDRO NC(=O)c1ccc(OCC[NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)cc1 ZINC001172901017 1012074239 /nfs/dbraw/zinc/07/42/39/1012074239.db2.gz FOQXLBOTSHQIBV-KRWDZBQOSA-N 1 0 369.421 2.610 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]Cc1ccccc1-n1cnnn1)CC2 ZINC001172901476 1012075760 /nfs/dbraw/zinc/07/57/60/1012075760.db2.gz IMUXWBCRKKUMPG-QGZVFWFLSA-N 1 0 364.409 2.608 20 5 FFBDRO C[C@@H]1C[N@@H+](C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)CC[C@@]1(C)O ZINC001173009260 1012176402 /nfs/dbraw/zinc/17/64/02/1012176402.db2.gz ANYPJDBSCVRIHW-KZULUSFZSA-N 1 0 369.412 2.935 20 5 FFBDRO C[C@H]1C[N@@H+](C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)CCC[C@@H]1O ZINC001173009936 1012179028 /nfs/dbraw/zinc/17/90/28/1012179028.db2.gz KHCVIHFETVZBEJ-SJCJKPOMSA-N 1 0 369.412 2.935 20 5 FFBDRO Cc1nccn1CC[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173012194 1012181647 /nfs/dbraw/zinc/18/16/47/1012181647.db2.gz PVCAXOXVEDPUNY-UHFFFAOYSA-N 1 0 365.384 2.637 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(N2CCC([N@@H+]3CC[C@@]34CCOC4)CC2)c(F)c1 ZINC001173017429 1012189259 /nfs/dbraw/zinc/18/92/59/1012189259.db2.gz DWFPVDDGIMWCGP-KRWDZBQOSA-N 1 0 353.369 2.707 20 5 FFBDRO C[N@H+](CCCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000018091342 1012245260 /nfs/dbraw/zinc/24/52/60/1012245260.db2.gz AWSGVDYCADLKQS-UHFFFAOYSA-N 1 0 372.381 2.755 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@@H]2Cc3ccccc3NC2=O)c1F ZINC001173180005 1012322723 /nfs/dbraw/zinc/32/27/23/1012322723.db2.gz RYSYMEOIDBASPW-IAQYHMDHSA-N 1 0 373.384 2.827 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C[C@@H]2COc3cnccc32)c1F ZINC001173180533 1012324270 /nfs/dbraw/zinc/32/42/70/1012324270.db2.gz RGVNHRDWUOAIHU-VXGBXAGGSA-N 1 0 361.373 2.834 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2CCCC[C@@](O)(CF)C2)c1F ZINC001173180366 1012325095 /nfs/dbraw/zinc/32/50/95/1012325095.db2.gz KDXKJIGCXIUXKB-SJKOYZFVSA-N 1 0 358.385 2.860 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CCN2CCC(F)CC2)c1F ZINC001173182660 1012326812 /nfs/dbraw/zinc/32/68/12/1012326812.db2.gz JIAIVJBDWZIVEP-GFCCVEGCSA-N 1 0 357.401 2.697 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C2CCC3(CC2)OCCO3)c1F ZINC001173194167 1012337610 /nfs/dbraw/zinc/33/76/10/1012337610.db2.gz YHHANEWIHQOWJR-GFCCVEGCSA-N 1 0 368.405 2.949 20 5 FFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCCN(C(=O)C(F)(F)F)C1 ZINC001173221654 1012350706 /nfs/dbraw/zinc/35/07/06/1012350706.db2.gz OJYKDFLGKIAHGQ-AAEUAGOBSA-N 1 0 359.348 2.669 20 5 FFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@H]2CN(Cc3cccnc3)C[C@H]2C1 ZINC001173220752 1012350760 /nfs/dbraw/zinc/35/07/60/1012350760.db2.gz CDCGTHDLOJNRSX-FFZOFVMBSA-N 1 0 366.465 2.985 20 5 FFBDRO CCOC(=O)C1(N[C@H](C)Cc2ccc([N+](=O)[O-])cc2)CC[NH+](CC)CC1 ZINC001173221355 1012351813 /nfs/dbraw/zinc/35/18/13/1012351813.db2.gz MLAHEJRGFZBTNY-OAHLLOKOSA-N 1 0 363.458 2.533 20 5 FFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cc(OC2CCOCC2)ncn1 ZINC001173223603 1012355631 /nfs/dbraw/zinc/35/56/31/1012355631.db2.gz IWFNXBIVBUCVIL-CQSZACIVSA-N 1 0 372.425 2.663 20 5 FFBDRO CCn1ncc2c1[C@@H](COC)C[N@@H+]([C@H](C)Cc1ccc([N+](=O)[O-])cc1)C2 ZINC001173227231 1012361622 /nfs/dbraw/zinc/36/16/22/1012361622.db2.gz UELNFKBLEMRCFA-RHSMWYFYSA-N 1 0 358.442 2.988 20 5 FFBDRO CCn1ncc2c1[C@@H](COC)C[N@@H+]([C@@H](C)Cc1ccc([N+](=O)[O-])cc1)C2 ZINC001173227233 1012362340 /nfs/dbraw/zinc/36/23/40/1012362340.db2.gz UELNFKBLEMRCFA-WMLDXEAASA-N 1 0 358.442 2.988 20 5 FFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ncc(Br)cn1 ZINC001173234608 1012366701 /nfs/dbraw/zinc/36/67/01/1012366701.db2.gz PPOAVIBPPPYNOR-SNVBAGLBSA-N 1 0 351.204 2.868 20 5 FFBDRO CCS(=O)(=O)c1ccc(C[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC001173209463 1012369809 /nfs/dbraw/zinc/36/98/09/1012369809.db2.gz CCUKPFSRBTYIHN-ZDUSSCGKSA-N 1 0 363.439 2.504 20 5 FFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](NC(=O)c2ccccn2)C1 ZINC001173237414 1012381643 /nfs/dbraw/zinc/38/16/43/1012381643.db2.gz JEWBJWPZLKOBFC-DOTOQJQBSA-N 1 0 368.437 2.815 20 5 FFBDRO CC(C)[NH+]1CCC(CCNC(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000870959215 1012652323 /nfs/dbraw/zinc/65/23/23/1012652323.db2.gz YJXOSOSFQQZVOE-UHFFFAOYSA-N 1 0 367.421 2.739 20 5 FFBDRO CC(C)C[C@@H](C)[NH2+]C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001173691684 1012901670 /nfs/dbraw/zinc/90/16/70/1012901670.db2.gz OCCFXYGGOKLESH-CQSZACIVSA-N 1 0 369.487 2.772 20 5 FFBDRO O=C(NCc1cccc2c1CC[N@H+](CCCC1CCC1)C2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001051291114 1017270164 /nfs/dbraw/zinc/27/01/64/1017270164.db2.gz KKEADMVLUQNXBK-WOJBJXKFSA-N 1 0 371.481 2.906 20 5 FFBDRO CCC(CC)C[N@@H+]1CCc2c(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cccc2C1 ZINC001051291051 1017270781 /nfs/dbraw/zinc/27/07/81/1017270781.db2.gz IUPCWFILXZMEHE-RTBURBONSA-N 1 0 359.470 2.762 20 5 FFBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCN2C2CCOCC2)cc1[N+](=O)[O-] ZINC000927106423 1018368031 /nfs/dbraw/zinc/36/80/31/1018368031.db2.gz ZYQXAIWJOWYFMI-PBHICJAKSA-N 1 0 363.458 2.897 20 5 FFBDRO CCOc1ccc(C(=O)N[C@@H](CC[NH+](C)C)c2cccnc2)cc1[N+](=O)[O-] ZINC000928838890 1019155374 /nfs/dbraw/zinc/15/53/74/1019155374.db2.gz DQBQUPFFWOSZIP-INIZCTEOSA-N 1 0 372.425 2.811 20 5 FFBDRO COc1cc(OC)cc(-c2nnc(C[C@@H]([NH3+])c3cccc([N+](=O)[O-])c3)o2)c1 ZINC001217733195 1032851436 /nfs/dbraw/zinc/85/14/36/1032851436.db2.gz MTNBVNLOQZSEGA-MRXNPFEDSA-N 1 0 370.365 2.905 20 5 FFBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H](O)CC[C@@H](O)c1ccccc1 ZINC000930353089 1019992293 /nfs/dbraw/zinc/99/22/93/1019992293.db2.gz GUUZMJKYGOZIGJ-WOJBJXKFSA-N 1 0 358.438 2.944 20 5 FFBDRO C/C(=C/C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C)CN1CCOCC1 ZINC000900347899 1020373393 /nfs/dbraw/zinc/37/33/93/1020373393.db2.gz GRFNSPMGQQIGHX-VBKFSLOCSA-N 1 0 361.442 2.610 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](OC[C@@H]2C[C@H]3CC[NH2+]C[C@@H]3O2)C(F)(F)F)cc1 ZINC001217916653 1032904444 /nfs/dbraw/zinc/90/44/44/1032904444.db2.gz JSZYJDUHVYINQO-UQOMUDLDSA-N 1 0 360.332 2.982 20 5 FFBDRO CC[NH+](CC)CCCCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000900688568 1020583309 /nfs/dbraw/zinc/58/33/09/1020583309.db2.gz JLSCOOOCFFIGQX-UHFFFAOYSA-N 1 0 365.430 2.608 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H]2CCc3cccc4cccc2c43)c1 ZINC000931810608 1020596430 /nfs/dbraw/zinc/59/64/30/1020596430.db2.gz OOZVWZMDZZAVLK-FUHWJXTLSA-N 1 0 352.394 2.583 20 5 FFBDRO O=[N+]([O-])c1ccc(F)c(Br)c1O[C@@H]1CCC[NH2+]C[C@@H]1F ZINC001217948054 1032914291 /nfs/dbraw/zinc/91/42/91/1032914291.db2.gz LJQZPRQJXAYVBM-WCBMZHEXSA-N 1 0 351.147 2.965 20 5 FFBDRO CCOc1cc(C[N@@H+]2CCC[C@H]([C@@]3(C)COC(=O)N3)C2)ccc1[N+](=O)[O-] ZINC000932018126 1020668888 /nfs/dbraw/zinc/66/88/88/1020668888.db2.gz ACKAJDCFKUINGD-KBXCAEBGSA-N 1 0 363.414 2.704 20 5 FFBDRO O=[N+]([O-])c1cc(O[C@H]2C[NH2+]CCC[C@H]2F)c(Br)cc1F ZINC001217971425 1032924511 /nfs/dbraw/zinc/92/45/11/1032924511.db2.gz IBMRJVMYWHBCMR-PELKAZGASA-N 1 0 351.147 2.965 20 5 FFBDRO O=C([C@@H]1CC[C@H]2CCCC[N@@H+]21)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000900880323 1020696836 /nfs/dbraw/zinc/69/68/36/1020696836.db2.gz HMIUTHGGCCPKSK-BEFAXECRSA-N 1 0 373.453 2.982 20 5 FFBDRO COc1cc(O[C@H]2CCCC[NH2+]C2)c2c(c1)oc1c(O)ccc(O)c1c2=O ZINC001217970724 1032925025 /nfs/dbraw/zinc/92/50/25/1032925025.db2.gz HTGJDAXYJVCHEB-NSHDSACASA-N 1 0 371.389 2.887 20 5 FFBDRO COC(=O)c1cc(Br)c(O[C@H]2CCCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001217968894 1032925312 /nfs/dbraw/zinc/92/53/12/1032925312.db2.gz PURLSWYKABDNOZ-JTQLQIEISA-N 1 0 373.203 2.665 20 5 FFBDRO CC(C)O[C@]1(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCOC1 ZINC000903360370 1020805252 /nfs/dbraw/zinc/80/52/52/1020805252.db2.gz JYSRLJOHDHDUCN-IBGZPJMESA-N 1 0 363.458 2.737 20 5 FFBDRO Cc1cc(C(=O)Nc2cccc(OCC[NH+](C)C)c2)c(N)c([N+](=O)[O-])c1 ZINC000749361424 1020952383 /nfs/dbraw/zinc/95/23/83/1020952383.db2.gz CSEGRNIRAOLLIA-UHFFFAOYSA-N 1 0 358.398 2.678 20 5 FFBDRO Cc1cc(C(=O)N(C)c2ccc(OCC[NH+](C)C)cc2)c(N)c([N+](=O)[O-])c1 ZINC000749388591 1020964893 /nfs/dbraw/zinc/96/48/93/1020964893.db2.gz RJVSPUIKFFXMGI-UHFFFAOYSA-N 1 0 372.425 2.702 20 5 FFBDRO Cn1cc([C@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)cn1 ZINC001116556457 1021281160 /nfs/dbraw/zinc/28/11/60/1021281160.db2.gz OTKGUSXFFMQQEL-RTBURBONSA-N 1 0 352.394 2.741 20 5 FFBDRO C[C@H]1C[C@@H](Oc2ccc([N+](=O)[O-])cc2I)CC[NH2+]1 ZINC001218051358 1032970764 /nfs/dbraw/zinc/97/07/64/1032970764.db2.gz YHDYJUQDAPQISU-WPRPVWTQSA-N 1 0 362.167 2.719 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001116906515 1021483720 /nfs/dbraw/zinc/48/37/20/1021483720.db2.gz LORGSAMBJVLJNT-ZFWWWQNUSA-N 1 0 350.419 2.988 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCCC[C@H]1[NH+](C)C ZINC001116906512 1021483785 /nfs/dbraw/zinc/48/37/85/1021483785.db2.gz LORGSAMBJVLJNT-DZGCQCFKSA-N 1 0 350.419 2.988 20 5 FFBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1 ZINC000778300982 1021559348 /nfs/dbraw/zinc/55/93/48/1021559348.db2.gz ZRPXAYYXCIJXBA-AWEZNQCLSA-N 1 0 367.396 2.877 20 5 FFBDRO CC[NH+](CC)Cc1ccc(-c2nnc(-c3c([N+](=O)[O-])c(C)nn3C)o2)o1 ZINC001117242495 1021618834 /nfs/dbraw/zinc/61/88/34/1021618834.db2.gz BSTVTFZTVAQUDG-UHFFFAOYSA-N 1 0 360.374 2.789 20 5 FFBDRO Cc1c([N+](=O)[O-])cc(C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000156013618 1022314067 /nfs/dbraw/zinc/31/40/67/1022314067.db2.gz NCYMTMWQFOQITJ-ZDUSSCGKSA-N 1 0 364.402 2.662 20 5 FFBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N(C)CC[NH+]1CC2(C1)CCOCC2 ZINC000829247645 1033062270 /nfs/dbraw/zinc/06/22/70/1033062270.db2.gz PYPWLAIZLLJAGX-DTQAZKPQSA-N 1 0 373.453 2.569 20 5 FFBDRO C[NH+]1CCN(c2ccc(NC(=O)c3ccc(F)cc3[N+](=O)[O-])cc2)CC1 ZINC000159854409 1022818467 /nfs/dbraw/zinc/81/84/67/1022818467.db2.gz SHJUIXPJASTGSQ-UHFFFAOYSA-N 1 0 358.373 2.738 20 5 FFBDRO CCc1cccc(C[NH+]2CCC3(CCN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)CC2)c1 ZINC001040700573 1022954510 /nfs/dbraw/zinc/95/45/10/1022954510.db2.gz NFTLRUDPHQTIRD-RTBURBONSA-N 1 0 371.481 2.729 20 5 FFBDRO COCC[N@H+](CN1CCN(c2ccccc2[N+](=O)[O-])C1=O)C1CCCC1 ZINC000752788276 1023203808 /nfs/dbraw/zinc/20/38/08/1023203808.db2.gz GDCQOICKEMOBAM-UHFFFAOYSA-N 1 0 362.430 2.685 20 5 FFBDRO C[C@@H]1CC[C@H](Oc2ccc(I)c([N+](=O)[O-])c2)C[NH2+]1 ZINC001218397591 1033138435 /nfs/dbraw/zinc/13/84/35/1033138435.db2.gz FDCYHSBAEZUBIQ-SCZZXKLOSA-N 1 0 362.167 2.719 20 5 FFBDRO O=C(Nc1cccc(C[NH+]2CCC(O)CC2)c1)c1cc(F)ccc1[N+](=O)[O-] ZINC000754879171 1023532287 /nfs/dbraw/zinc/53/22/87/1023532287.db2.gz WKHHTTIQFCLOPT-UHFFFAOYSA-N 1 0 373.384 2.943 20 5 FFBDRO O=C(NC1CC2(C1)CC([NH2+]CC/C=C\c1ccccc1)C2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001121087629 1023598805 /nfs/dbraw/zinc/59/88/05/1023598805.db2.gz QRMICJWJSRSQKB-RIXWUPICSA-N 1 0 369.465 2.772 20 5 FFBDRO O=[N+]([O-])c1cc(O[C@@H]2C[NH2+]CCC2(F)F)c(Br)cc1F ZINC001218448935 1033161681 /nfs/dbraw/zinc/16/16/81/1033161681.db2.gz SBLITMUFUYCXIK-SNVBAGLBSA-N 1 0 355.110 2.872 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(O[C@H]2C[NH2+]CCC2(F)F)c(Br)c1 ZINC001218456123 1033164211 /nfs/dbraw/zinc/16/42/11/1033164211.db2.gz ZOTOANKKRZERQA-VIFPVBQESA-N 1 0 355.110 2.872 20 5 FFBDRO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C3CC3)[C@@H]2C1 ZINC001123705342 1023949919 /nfs/dbraw/zinc/94/99/19/1023949919.db2.gz MLSLFPTUOFHCQX-QGTPRVQTSA-N 1 0 358.442 2.609 20 5 FFBDRO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001122146951 1024381744 /nfs/dbraw/zinc/38/17/44/1024381744.db2.gz SIRHWXUAHKTTKS-DGCLKSJQSA-N 1 0 360.439 2.694 20 5 FFBDRO CC[C@H]1CN(Cn2nc(C)c([N+](=O)[O-])c2C)CC[N@@H+]1Cc1ccccc1 ZINC000758969482 1024401722 /nfs/dbraw/zinc/40/17/22/1024401722.db2.gz BMXDVQVULOKVDP-SFHVURJKSA-N 1 0 357.458 2.962 20 5 FFBDRO C[C@@H]1C[C@H](NC(=O)c2ccc(N)c([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000079945142 1024422304 /nfs/dbraw/zinc/42/23/04/1024422304.db2.gz BXUXZKUKBQEZPH-RHSMWYFYSA-N 1 0 368.437 2.960 20 5 FFBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000195131610 1024945959 /nfs/dbraw/zinc/94/59/59/1024945959.db2.gz VCEKTGZYAWYIJE-GOSISDBHSA-N 1 0 354.410 2.744 20 5 FFBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000195131616 1024946236 /nfs/dbraw/zinc/94/62/36/1024946236.db2.gz VCEKTGZYAWYIJE-SFHVURJKSA-N 1 0 354.410 2.744 20 5 FFBDRO Cc1c(CO)cc([N+](=O)[O-])c(NC2CC([NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000795261683 1025408172 /nfs/dbraw/zinc/40/81/72/1025408172.db2.gz UKIJIYSXNJYQFY-UHFFFAOYSA-N 1 0 364.402 2.733 20 5 FFBDRO C[N@@H+]1CCC[C@H](CCNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 ZINC000838139391 1026224504 /nfs/dbraw/zinc/22/45/04/1026224504.db2.gz PNSFCBUBRXUIFJ-OAHLLOKOSA-N 1 0 360.458 2.657 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CCc3cn[nH]c3)CC2)c(C(F)(F)F)c1 ZINC000838817621 1026513518 /nfs/dbraw/zinc/51/35/18/1026513518.db2.gz OGYBUYGCZXGRSA-UHFFFAOYSA-N 1 0 369.347 2.701 20 5 FFBDRO O=[N+]([O-])c1ccnn1CN1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000246999955 1026608828 /nfs/dbraw/zinc/60/88/28/1026608828.db2.gz KQBAMIQRLUYGQL-ZWKOTPCHSA-N 1 0 355.442 2.735 20 5 FFBDRO CO[C@H]1C[C@H]([N@H+](C)Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C12CCC2 ZINC000840140141 1026980471 /nfs/dbraw/zinc/98/04/71/1026980471.db2.gz MFGKZCZRBIYKIO-HOTGVXAUSA-N 1 0 357.414 2.700 20 5 FFBDRO CCOC(=O)C1(Nc2nccc3ccc([N+](=O)[O-])cc32)CC[NH+](C)CC1 ZINC001158569988 1027061667 /nfs/dbraw/zinc/06/16/67/1027061667.db2.gz BPVGMOOXFQQIHJ-UHFFFAOYSA-N 1 0 358.398 2.582 20 5 FFBDRO [NH3+]Cc1ccc2c(n1)N(C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1)CCC2 ZINC001158647717 1027084027 /nfs/dbraw/zinc/08/40/27/1027084027.db2.gz SWIGOBOCRCECEX-UHFFFAOYSA-N 1 0 369.759 2.999 20 5 FFBDRO Cc1cc(NCC23CC[NH+](CC2)CC3)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001158829117 1027152467 /nfs/dbraw/zinc/15/24/67/1027152467.db2.gz YKKCQYUUEMOOIG-UHFFFAOYSA-N 1 0 353.426 2.680 20 5 FFBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N2CCC3(CC2)[NH2+]CCc2ccccc23)n1 ZINC001159009958 1027227077 /nfs/dbraw/zinc/22/70/77/1027227077.db2.gz FMHDTRJZQUBJDA-UHFFFAOYSA-N 1 0 373.844 2.988 20 5 FFBDRO COc1cc(C)nc(N2CCC3(CC2)[NH2+]CCc2ccccc23)c1[N+](=O)[O-] ZINC001159011115 1027227503 /nfs/dbraw/zinc/22/75/03/1027227503.db2.gz PSOLAPNUHAUJQZ-UHFFFAOYSA-N 1 0 368.437 2.948 20 5 FFBDRO CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)O1 ZINC001159245340 1027323784 /nfs/dbraw/zinc/32/37/84/1027323784.db2.gz GJPYJUAIGAFGCR-GPMSIDNRSA-N 1 0 372.425 2.794 20 5 FFBDRO Cc1ccc([C@H](C)Nc2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])c(C)c1 ZINC001159631777 1027451086 /nfs/dbraw/zinc/45/10/86/1027451086.db2.gz OUCNSQWORICXEK-AWEZNQCLSA-N 1 0 356.430 2.584 20 5 FFBDRO COc1nc(N[C@@H](Cc2ccccc2)C[NH+]2CCCC2)ncc1[N+](=O)[O-] ZINC001159652180 1027455773 /nfs/dbraw/zinc/45/57/73/1027455773.db2.gz SHWMJMPBUIHXSO-HNNXBMFYSA-N 1 0 357.414 2.512 20 5 FFBDRO [NH3+]C[C@@]1(Nc2ccc3c(ccc(Cl)c3[N+](=O)[O-])n2)CN2CCC1CC2 ZINC001160512718 1027731488 /nfs/dbraw/zinc/73/14/88/1027731488.db2.gz DWUNMQFPDUSRDX-QGZVFWFLSA-N 1 0 361.833 2.631 20 5 FFBDRO O=[N+]([O-])c1cc(C(F)(F)N[C@H]2CC[NH2+]C[C@@H]2C(F)(F)F)cnc1Cl ZINC001160737372 1027843972 /nfs/dbraw/zinc/84/39/72/1027843972.db2.gz PFKVWEUWUNNIEQ-YUMQZZPRSA-N 1 0 374.697 2.823 20 5 FFBDRO [NH3+]Cc1cc2ccncc2n1-c1nc(Cl)nc2ccc([N+](=O)[O-])cc21 ZINC001160960034 1027948577 /nfs/dbraw/zinc/94/85/77/1027948577.db2.gz XXVPDJMDVQLOFF-UHFFFAOYSA-N 1 0 354.757 2.989 20 5 FFBDRO COc1cnc(NC2CC[NH+](Cc3ccc(O)cc3)CC2)c([N+](=O)[O-])c1 ZINC001161131893 1028026612 /nfs/dbraw/zinc/02/66/12/1028026612.db2.gz SORFXJLPJSNMSQ-UHFFFAOYSA-N 1 0 358.398 2.781 20 5 FFBDRO COc1c([N+](=O)[O-])cc(Cl)c(C)c1NCCCN1CC[NH+](C)CC1 ZINC001161709717 1028291557 /nfs/dbraw/zinc/29/15/57/1028291557.db2.gz FRWRFRMWTGMXET-UHFFFAOYSA-N 1 0 356.854 2.615 20 5 FFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(CC1)CC[NH+](CC1=CCCCC1)CC2 ZINC000957547551 1028324919 /nfs/dbraw/zinc/32/49/19/1028324919.db2.gz ILQBFGGUSSJVRH-QZTJIDSGSA-N 1 0 361.486 2.857 20 5 FFBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N(CC[NH3+])c2ccc(F)cc2)n1 ZINC001161877791 1028345662 /nfs/dbraw/zinc/34/56/62/1028345662.db2.gz QSIFPAJSICGHLZ-UHFFFAOYSA-N 1 0 357.798 2.996 20 5 FFBDRO COC(=O)c1ccc(C[NH3+])n1-c1cc2ccc(Cl)nc2cc1[N+](=O)[O-] ZINC001161940375 1028371711 /nfs/dbraw/zinc/37/17/11/1028371711.db2.gz PWNNCVDQKDBLSX-UHFFFAOYSA-N 1 0 360.757 2.832 20 5 FFBDRO COc1ccc2ncc([N+](=O)[O-])c(Nc3cnn(-c4cc[nH+]cc4)c3)c2c1 ZINC001162408795 1028533719 /nfs/dbraw/zinc/53/37/19/1028533719.db2.gz NPYFNGCFNJPPMH-UHFFFAOYSA-N 1 0 362.349 2.898 20 5 FFBDRO CCOC1(OCC)CC[NH2+]C[C@@H]1Nc1ccc2cccc([N+](=O)[O-])c2n1 ZINC001155227260 1028635823 /nfs/dbraw/zinc/63/58/23/1028635823.db2.gz KWAHEDKSXSLFHR-HNNXBMFYSA-N 1 0 360.414 2.686 20 5 FFBDRO CCCCCC[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001162810837 1028664688 /nfs/dbraw/zinc/66/46/88/1028664688.db2.gz RMFWAAFCQLPRKU-RTBURBONSA-N 1 0 361.486 2.893 20 5 FFBDRO O=[N+]([O-])c1ccc2nc(Cl)nc(N[C@H]3CCO[C@]4(CC[NH2+]C4)C3)c2c1 ZINC001155620060 1028820281 /nfs/dbraw/zinc/82/02/81/1028820281.db2.gz STAVDLCHOBLYKK-MGPLVRAMSA-N 1 0 363.805 2.514 20 5 FFBDRO O=[N+]([O-])c1ccc2ncc([N+](=O)[O-])c(NCC3CC[NH+](C4CC4)CC3)c2c1 ZINC001163197951 1028838446 /nfs/dbraw/zinc/83/84/46/1028838446.db2.gz WYHDCHWYYGVSKM-UHFFFAOYSA-N 1 0 371.397 2.759 20 5 FFBDRO O=[N+]([O-])c1c(Cl)nc(C(F)(F)F)nc1N[C@H]1C[NH+]2CCC1CC2 ZINC001155666927 1028842578 /nfs/dbraw/zinc/84/25/78/1028842578.db2.gz BABQTFFUBUKUHT-ZETCQYMHSA-N 1 0 351.716 2.563 20 5 FFBDRO O=[N+]([O-])c1cnc(Cl)cc1N1CCC(COCC[NH+]2CCCC2)CC1 ZINC001163879934 1029101574 /nfs/dbraw/zinc/10/15/74/1029101574.db2.gz PNKDGPVGMXEEKZ-UHFFFAOYSA-N 1 0 368.865 2.972 20 5 FFBDRO [NH3+][C@@H]1CCN(C(F)(F)c2cc(-c3ccccc3[N+](=O)[O-])nnc2Cl)C1 ZINC001156232283 1029105498 /nfs/dbraw/zinc/10/54/98/1029105498.db2.gz UZVJADQSTBEMOC-SECBINFHSA-N 1 0 369.759 2.788 20 5 FFBDRO COc1nc(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)ncc1[N+](=O)[O-] ZINC001156314327 1029139619 /nfs/dbraw/zinc/13/96/19/1029139619.db2.gz FWWKPOVBHCCGQM-ARFHVFGLSA-N 1 0 369.425 2.716 20 5 FFBDRO COc1ncc([N+](=O)[O-])c(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC001164486406 1029293661 /nfs/dbraw/zinc/29/36/61/1029293661.db2.gz NXIBBNPFEFKSLE-HRCADAONSA-N 1 0 369.425 2.716 20 5 FFBDRO O=C(NCCC1(C[NH2+]Cc2ccc(C(F)F)cc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001164494551 1029297219 /nfs/dbraw/zinc/29/72/19/1029297219.db2.gz LTZHYBCLHIHSMV-HUUCEWRRSA-N 1 0 367.396 2.666 20 5 FFBDRO CC[N@H+]([C@H]1CCOC1)C1CCN(c2ccc3[nH]cc([N+](=O)[O-])c3n2)CC1 ZINC001165112357 1029400147 /nfs/dbraw/zinc/40/01/47/1029400147.db2.gz ZNEFNPZTLFQFIQ-AWEZNQCLSA-N 1 0 359.430 2.551 20 5 FFBDRO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001156965346 1029424662 /nfs/dbraw/zinc/42/46/62/1029424662.db2.gz VCOAFXKLXHVHDV-INIZCTEOSA-N 1 0 369.425 2.732 20 5 FFBDRO COc1nc(N(Cc2cccnc2)[C@H]2CC[C@H]([NH3+])CC2)ccc1[N+](=O)[O-] ZINC001158165661 1029749015 /nfs/dbraw/zinc/74/90/15/1029749015.db2.gz VMRXDFPXOLOKPV-SHTZXODSSA-N 1 0 357.414 2.670 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)n1 ZINC001158272248 1029782749 /nfs/dbraw/zinc/78/27/49/1029782749.db2.gz WJABVUPYEUUMOA-PIGZYNQJSA-N 1 0 350.419 2.732 20 5 FFBDRO COc1cc(C)nc(N(c2cc(C)nc(C)n2)C2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001158392335 1029818105 /nfs/dbraw/zinc/81/81/05/1029818105.db2.gz YZZOQZYQVJTANP-UHFFFAOYSA-N 1 0 372.429 2.604 20 5 FFBDRO C[C@H]([NH2+][C@@H]1CCN(c2ccc(F)cc2)C1=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000840882167 1029904086 /nfs/dbraw/zinc/90/40/86/1029904086.db2.gz MRBZBAGNQRFVSP-MEDUHNTESA-N 1 0 358.373 2.772 20 5 FFBDRO [NH3+]C1([C@H]2CN(c3nc(Cl)nc4ccc([N+](=O)[O-])cc43)C[C@@H]2CF)CC1 ZINC001165428829 1029978734 /nfs/dbraw/zinc/97/87/34/1029978734.db2.gz HBGRCVLPTSDAKV-CABZTGNLSA-N 1 0 365.796 2.705 20 5 FFBDRO [NH3+]C1([C@H]2CN(c3ccc(-c4ccccc4[N+](=O)[O-])nn3)C[C@H]2CF)CC1 ZINC001165431611 1029980451 /nfs/dbraw/zinc/98/04/51/1029980451.db2.gz COYHDSBTRVRUEB-OCCSQVGLSA-N 1 0 357.389 2.565 20 5 FFBDRO COCc1nn(-c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)c2c1C[NH2+]C2 ZINC001165634996 1030063260 /nfs/dbraw/zinc/06/32/60/1030063260.db2.gz YNLUCSFYMANDHK-UHFFFAOYSA-N 1 0 351.366 2.592 20 5 FFBDRO Cc1ccnc(-n2nc(-c3ccc(F)cc3)c3c2CC[NH2+]CC3)c1[N+](=O)[O-] ZINC001165822404 1030138845 /nfs/dbraw/zinc/13/88/45/1030138845.db2.gz LPEAPEFQBVJBQD-UHFFFAOYSA-N 1 0 367.384 2.978 20 5 FFBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)C1 ZINC001142303916 1030289030 /nfs/dbraw/zinc/28/90/30/1030289030.db2.gz WQFDCPSJKCYXSA-PWSUYJOCSA-N 1 0 363.805 2.537 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(-n2ncc3cc(N4CC[NH2+]CC4)ccc32)nc1Cl ZINC001167018761 1030614593 /nfs/dbraw/zinc/61/45/93/1030614593.db2.gz PVBCBPCPVGZUFI-UHFFFAOYSA-N 1 0 372.816 2.700 20 5 FFBDRO C[NH2+]C[C@H](C)c1noc([C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)n1 ZINC000842581113 1030796459 /nfs/dbraw/zinc/79/64/59/1030796459.db2.gz JLBZJKJQKWMPNE-SWLSCSKDSA-N 1 0 373.413 2.586 20 5 FFBDRO Cc1ccc(Cc2nc(-c3ccc4c(n3)CC[NH2+]C4)no2)cc1[N+](=O)[O-] ZINC001205188191 1031583085 /nfs/dbraw/zinc/58/30/85/1031583085.db2.gz NFNSSTYQAMTQIZ-UHFFFAOYSA-N 1 0 351.366 2.585 20 5 FFBDRO Cc1nn(C[N@H+]2CCC[C@@H]2[C@@H]2C[C@H](C)CC[C@H]2O)c2ncc([N+](=O)[O-])cc12 ZINC000799153844 1031669420 /nfs/dbraw/zinc/66/94/20/1031669420.db2.gz AXONWFPFLWTVEB-QRVDHSFSSA-N 1 0 373.457 2.867 20 5 FFBDRO O=C(NCC1([NH2+]Cc2ccc(F)c(F)c2)CCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001115530624 1031787756 /nfs/dbraw/zinc/78/77/56/1031787756.db2.gz HVTRENWHCPEADH-CZUORRHYSA-N 1 0 367.396 2.539 20 5 FFBDRO O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001150935648 1031813711 /nfs/dbraw/zinc/81/37/11/1031813711.db2.gz QCTRWHJRIRWONN-INIZCTEOSA-N 1 0 373.840 2.834 20 5 FFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H](CCO)Cc1ccccc1 ZINC000799732404 1031867653 /nfs/dbraw/zinc/86/76/53/1031867653.db2.gz YKTIJDBTWZSGGX-MAUKXSAKSA-N 1 0 371.437 2.895 20 5 FFBDRO COc1ccc(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])cc1[N+](=O)[O-] ZINC000799995852 1031944393 /nfs/dbraw/zinc/94/43/93/1031944393.db2.gz ZWSRRFVTUHNCOR-UHFFFAOYSA-N 1 0 374.353 2.630 20 5 FFBDRO C[N+](C)(C)C[C@H](O)CC(=O)OC(Cl)(Cl)c1ccc(Cl)cc1 ZINC001223129381 1033302243 /nfs/dbraw/zinc/30/22/43/1033302243.db2.gz NCGHOUOFXZSOFU-GFCCVEGCSA-N 1 0 355.669 2.928 20 5 FFBDRO COC(=O)c1c(COC2CCN(c3cc[nH+]cc3)CC2)cccc1[N+](=O)[O-] ZINC001223294406 1033375735 /nfs/dbraw/zinc/37/57/35/1033375735.db2.gz KQZOWBFCULSRNU-UHFFFAOYSA-N 1 0 371.393 2.962 20 5 FFBDRO CCOc1cc(NC(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)ccc1[N+](=O)[O-] ZINC001219317467 1033596999 /nfs/dbraw/zinc/59/69/99/1033596999.db2.gz BOBYUWMAALBCJQ-CYBMUJFWSA-N 1 0 350.419 2.988 20 5 FFBDRO C[NH+]1CCC2(CC[C@H](COCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])O2)CC1 ZINC001224094810 1033713913 /nfs/dbraw/zinc/71/39/13/1033713913.db2.gz FRCNDCFGIMIJST-OAHLLOKOSA-N 1 0 365.386 2.663 20 5 FFBDRO [NH3+][C@@H](Cc1c2ccccc2cc2ccccc21)C(=O)NCc1cccnn1 ZINC001220018525 1033942493 /nfs/dbraw/zinc/94/24/93/1033942493.db2.gz HHDOYRNNAYHRIH-NRFANRHFSA-N 1 0 356.429 2.969 20 5 FFBDRO O=C(Nc1ccc([N+](=O)[O-])c2ccccc12)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC001220437514 1034177212 /nfs/dbraw/zinc/17/72/12/1034177212.db2.gz DIPRONZYWOAIMA-AWEZNQCLSA-N 1 0 372.425 2.716 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(O[C@H]2CC[C@H]([NH+]3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC001225602114 1034330399 /nfs/dbraw/zinc/33/03/99/1034330399.db2.gz UVDOHXKPYRRDCB-HDJSIYSDSA-N 1 0 365.386 2.834 20 5 FFBDRO Cc1ccc2c(=O)c3cccc(CC(=O)N[C@@H]4CCC[NH2+]C4)c3oc2c1C ZINC001220887275 1034443253 /nfs/dbraw/zinc/44/32/53/1034443253.db2.gz YTNXSYRMZXGHPF-MRXNPFEDSA-N 1 0 364.445 2.974 20 5 FFBDRO Cc1ccc(CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC001221093093 1034542492 /nfs/dbraw/zinc/54/24/92/1034542492.db2.gz PCAYTMYQTPBSFS-SFHVURJKSA-N 1 0 368.437 2.977 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000835066776 1035503610 /nfs/dbraw/zinc/50/36/10/1035503610.db2.gz BXENDRCBMODMFM-MRXNPFEDSA-N 1 0 365.430 2.629 20 5 FFBDRO CO[C@@H]1CC[N@H+](CCOc2ccc(OC(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001227603823 1035633341 /nfs/dbraw/zinc/63/33/41/1035633341.db2.gz LLFDQOGFZNYMCT-LLVKDONJSA-N 1 0 350.293 2.593 20 5 FFBDRO COCC[NH+]1CCC(Oc2ccc(OC(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC001227603974 1035633951 /nfs/dbraw/zinc/63/39/51/1035633951.db2.gz NXSVVLSIFDKKKZ-UHFFFAOYSA-N 1 0 364.320 2.983 20 5 FFBDRO C[NH+](C)Cc1c(O[C@@H]2COc3nc([N+](=O)[O-])cn3C2)ccc2ccccc21 ZINC001228442389 1036115696 /nfs/dbraw/zinc/11/56/96/1036115696.db2.gz SPHFWHBFFPYPSI-AWEZNQCLSA-N 1 0 368.393 2.846 20 5 FFBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)NC[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC001203067777 1036175129 /nfs/dbraw/zinc/17/51/29/1036175129.db2.gz NKQWQZWPUKKNRV-HNNXBMFYSA-N 1 0 361.446 2.639 20 5 FFBDRO COC(=O)c1c(O[C@@H]2CC[N@@H+]([C@H](C)c3ccccn3)C2)cccc1[N+](=O)[O-] ZINC001229050062 1036473189 /nfs/dbraw/zinc/47/31/89/1036473189.db2.gz SLMLKCQKPCXLAX-ZIAGYGMSSA-N 1 0 371.393 2.991 20 5 FFBDRO O=[N+]([O-])c1ccc(I)cc1O[C@H]1C[NH+]2CCC1CC2 ZINC001229152970 1036525387 /nfs/dbraw/zinc/52/53/87/1036525387.db2.gz XUTSPJGLGINHPF-ZDUSSCGKSA-N 1 0 374.178 2.672 20 5 FFBDRO C[C@@H]1CN(C(=O)CCNc2ccccc2[N+](=O)[O-])CCN1c1cc[nH+]cc1 ZINC001536573769 1070009667 /nfs/dbraw/zinc/00/96/67/1070009667.db2.gz URQAJZODDOIPGO-OAHLLOKOSA-N 1 0 369.425 2.529 20 5 FFBDRO C[NH+]1CCC(Oc2cccc(I)c2[N+](=O)[O-])CC1 ZINC001229657895 1036810458 /nfs/dbraw/zinc/81/04/58/1036810458.db2.gz YDVHYQUKRIBIQZ-UHFFFAOYSA-N 1 0 362.167 2.672 20 5 FFBDRO Cc1nc2c(c(O[C@H](C)C[N+](C)(C)C)n1)CN(Cc1ccccc1)CC2 ZINC001229845754 1036930054 /nfs/dbraw/zinc/93/00/54/1036930054.db2.gz IVPQHVBPFGUIQC-MRXNPFEDSA-N 1 0 355.506 2.817 20 5 FFBDRO CC(=O)O[C@H]1C[C@@H]2C[C@H](Oc3cc(F)c(C)cc3[N+](=O)[O-])C[C@H]1[N@@H+]2C ZINC001229895626 1036966211 /nfs/dbraw/zinc/96/62/11/1036966211.db2.gz SPJWEFPYQIGLBU-GMZLATJGSA-N 1 0 352.362 2.588 20 5 FFBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC001536675927 1070034396 /nfs/dbraw/zinc/03/43/96/1070034396.db2.gz MMOSIVGRVNGIJV-MRXNPFEDSA-N 1 0 360.458 2.655 20 5 FFBDRO CN1[C@@H]2C[C@H](Oc3cc(N4CCCCC4)ccc3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001234364960 1037007321 /nfs/dbraw/zinc/00/73/21/1037007321.db2.gz YNLMMKHKSUFHHL-YJLNNSPDSA-N 1 0 359.426 2.768 20 5 FFBDRO CC(=O)O[C@H]1C[C@@H]2C[C@H](Oc3nccc4c3cccc4[N+](=O)[O-])C[C@H]1[N@@H+]2C ZINC001234677285 1037137348 /nfs/dbraw/zinc/13/73/48/1037137348.db2.gz TYTHWVLGTKQLOL-UHIXZJCNSA-N 1 0 371.393 2.689 20 5 FFBDRO COCCC[NH+]1CCC(Oc2ccc([N+](=O)[O-])c(CC(C)=O)c2F)CC1 ZINC001230795947 1037362356 /nfs/dbraw/zinc/36/23/56/1037362356.db2.gz DNKQQLQZJCRVKN-UHFFFAOYSA-N 1 0 368.405 2.745 20 5 FFBDRO COc1cc(N2CCC([NH2+]C[C@H]3CCC[C@@H](O)C3)CC2)ccc1[N+](=O)[O-] ZINC001256090247 1038375025 /nfs/dbraw/zinc/37/50/25/1038375025.db2.gz PTBRNJHHODVSCF-WMLDXEAASA-N 1 0 363.458 2.713 20 5 FFBDRO COc1cc(N2CCC([NH2+]CC3(O)CCCCC3)CC2)ccc1[N+](=O)[O-] ZINC001256092137 1038377454 /nfs/dbraw/zinc/37/74/54/1038377454.db2.gz GKVKHMQSTKTWDN-UHFFFAOYSA-N 1 0 363.458 2.857 20 5 FFBDRO COc1cc(N2CCC([N@@H+]3C[C@H]4OC[C@@H](C)[C@H]4C3)CC2)ccc1[N+](=O)[O-] ZINC001256100885 1038384260 /nfs/dbraw/zinc/38/42/60/1038384260.db2.gz SKTNJTPYVZLHES-VVFCZOMOSA-N 1 0 361.442 2.539 20 5 FFBDRO CC[N@H+](CCn1ccnc1)C1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC001256101640 1038387036 /nfs/dbraw/zinc/38/70/36/1038387036.db2.gz QFSVQIQEQAIWLO-UHFFFAOYSA-N 1 0 373.457 2.791 20 5 FFBDRO CCN1CC[N@@H+](C2CCN(c3ccc([N+](=O)[O-])c(OC)c3)CC2)C[C@H]1C ZINC001256102759 1038387850 /nfs/dbraw/zinc/38/78/50/1038387850.db2.gz HOURZDULTOYCJY-OAHLLOKOSA-N 1 0 362.474 2.598 20 5 FFBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[NH+](C(C)(C)C)CC2)cc1OC ZINC001251188594 1038995723 /nfs/dbraw/zinc/99/57/23/1038995723.db2.gz GNMSXHLBOZYASW-UHFFFAOYSA-N 1 0 365.430 2.558 20 5 FFBDRO C[C@H]1C[NH+](CCc2nnc(-c3cc(F)cc([N+](=O)[O-])c3F)o2)C[C@H](C)O1 ZINC001258150703 1039232701 /nfs/dbraw/zinc/23/27/01/1039232701.db2.gz BFVZPEBXRAPDLB-UWVGGRQHSA-N 1 0 368.340 2.575 20 5 FFBDRO C[C@@H]1CC[C@H](C[NH3+])N(C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)C1 ZINC001246569324 1039401628 /nfs/dbraw/zinc/40/16/28/1039401628.db2.gz OTIWZJASLGSYQN-TZMCWYRMSA-N 1 0 368.428 2.901 20 5 FFBDRO COc1ccc(C[C@@H](C)N2C[C@@H]3C[NH2+]C[C@]3(C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC001246655897 1039428730 /nfs/dbraw/zinc/42/87/30/1039428730.db2.gz MFVRZGHITPHQDV-FFSVYQOJSA-N 1 0 373.375 2.618 20 5 FFBDRO C[Si](C)(C)CCOC[NH2+][C@@H]1CCCN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001246898303 1039525122 /nfs/dbraw/zinc/52/51/22/1039525122.db2.gz YIVGWNOLHRKMLZ-GVDBMIGSSA-N 1 0 357.571 2.798 20 5 FFBDRO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1c(C)cccc1[N+](=O)[O-])CC(C)C ZINC001210851172 1039777611 /nfs/dbraw/zinc/77/76/11/1039777611.db2.gz KOJOADMFVKFGRC-OAHLLOKOSA-N 1 0 371.503 2.938 20 5 FFBDRO c1cnc2c(c1)ccc1ccc(-c3noc(C4=NO[C@@]5(CC[NH2+]C5)C4)n3)nc12 ZINC001247864066 1040004653 /nfs/dbraw/zinc/00/46/53/1040004653.db2.gz DUFRKYMRUPKGQE-FQEVSTJZSA-N 1 0 372.388 2.690 20 5 FFBDRO CCOC(=O)c1cc(Nc2c[nH+]ccc2N2CCOCC2)cc([N+](=O)[O-])c1 ZINC001211370008 1040110645 /nfs/dbraw/zinc/11/06/45/1040110645.db2.gz QSUGSVZAIKZVIJ-UHFFFAOYSA-N 1 0 372.381 2.747 20 5 FFBDRO Cc1ccc(C[C@H]([NH3+])Cc2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)cc1 ZINC001248231878 1040185783 /nfs/dbraw/zinc/18/57/83/1040185783.db2.gz AEGOMOOGNQPREJ-ZDUSSCGKSA-N 1 0 357.345 2.600 20 5 FFBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@@H]2C[NH2+]C[C@H]2c2ccccc2)n1 ZINC001249077293 1040571371 /nfs/dbraw/zinc/57/13/71/1040571371.db2.gz OIUMHTIYHJGWBQ-QWHCGFSZSA-N 1 0 355.329 2.650 20 5 FFBDRO [NH3+][C@H](Cc1nc(-c2ccc3c(c2)OCCO3)no1)c1ccc([N+](=O)[O-])cc1 ZINC001249342103 1040692732 /nfs/dbraw/zinc/69/27/32/1040692732.db2.gz KAKBSLVBMLGINY-CQSZACIVSA-N 1 0 368.349 2.659 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]Cc3cncn3CC3CC3)CC2)cc1 ZINC001254470468 1040736938 /nfs/dbraw/zinc/73/69/38/1040736938.db2.gz NPGWLQRSZPREKY-UHFFFAOYSA-N 1 0 355.442 2.960 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H](CO)Cc3cccc(F)c3)CC2)cc1 ZINC001254469689 1040737619 /nfs/dbraw/zinc/73/76/19/1040737619.db2.gz WWSGCKDWWMTPGN-GOSISDBHSA-N 1 0 373.428 2.896 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@@H]3COc4cnccc43)CC2)cc1 ZINC001254472829 1040740492 /nfs/dbraw/zinc/74/04/92/1040740492.db2.gz PYPWVLYOJQPOIV-CQSZACIVSA-N 1 0 354.410 2.724 20 5 FFBDRO CC(=O)N1CCC([N@@H+](C)C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001254479527 1040745224 /nfs/dbraw/zinc/74/52/24/1040745224.db2.gz DKOMVRSWNVMULZ-UHFFFAOYSA-N 1 0 360.458 2.506 20 5 FFBDRO COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](C1CCN(c3ccc([N+](=O)[O-])cc3)CC1)C2 ZINC001254481667 1040748300 /nfs/dbraw/zinc/74/83/00/1040748300.db2.gz YDRXKBPOQRXLNV-KHYOSLBOSA-N 1 0 373.453 2.837 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCN(C(=O)C(F)(F)F)C1 ZINC001254548142 1040790123 /nfs/dbraw/zinc/79/01/23/1040790123.db2.gz KLJSTDMBLYFCGH-AAEUAGOBSA-N 1 0 359.348 2.669 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1(CC2CC2)CCS(=O)(=O)CC1 ZINC001254548942 1040793368 /nfs/dbraw/zinc/79/33/68/1040793368.db2.gz OBAPDOBUECXXAC-AWEZNQCLSA-N 1 0 366.483 2.863 20 5 FFBDRO CCn1ncc2c1[C@H](COC)C[N@@H+]([C@H](C)Cc1ccccc1[N+](=O)[O-])C2 ZINC001254562211 1040800447 /nfs/dbraw/zinc/80/04/47/1040800447.db2.gz PKEIBMREPOFLGQ-PBHICJAKSA-N 1 0 358.442 2.988 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCC(NC(=O)N2CCCC2)CC1 ZINC001254571370 1040807062 /nfs/dbraw/zinc/80/70/62/1040807062.db2.gz UAMVJNQKNOKKAQ-OAHLLOKOSA-N 1 0 360.458 2.796 20 5 FFBDRO COc1ccc(N2CC[NH+]([C@@H](C)Cc3ccccc3[N+](=O)[O-])CC2)nc1 ZINC001254571415 1040808558 /nfs/dbraw/zinc/80/85/58/1040808558.db2.gz UVQSAKXZOQCCEI-HNNXBMFYSA-N 1 0 356.426 2.752 20 5 FFBDRO CC(C)(C)OC(=O)N1C[C@@H]2[C@H]([NH2+][C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@@H]2C1 ZINC001254575432 1040810664 /nfs/dbraw/zinc/81/06/64/1040810664.db2.gz QRIPQMVWIJAQKX-XYVMCAHJSA-N 1 0 373.453 2.907 20 5 FFBDRO O=C(N1CCCCC1)N1CCC([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254580739 1040811894 /nfs/dbraw/zinc/81/18/94/1040811894.db2.gz FFBNHLYTIQGVSV-GOSISDBHSA-N 1 0 372.469 2.722 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]C[C@H]1CN(c3ccccc3)CCO1)C2 ZINC001254578174 1040812426 /nfs/dbraw/zinc/81/24/26/1040812426.db2.gz BCBKWDFSOYYZDG-XLIONFOSSA-N 1 0 353.422 2.557 20 5 FFBDRO O=C(c1ccccc1F)N1CC[C@H]([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254583887 1040816213 /nfs/dbraw/zinc/81/62/13/1040816213.db2.gz DPYNMFPQSDDNBX-HOTGVXAUSA-N 1 0 369.396 2.705 20 5 FFBDRO COc1cccc(CN2CC[C@H]([NH2+][C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)c1 ZINC001254587096 1040818050 /nfs/dbraw/zinc/81/80/50/1040818050.db2.gz VIGJHBXTPPNECZ-OALUTQOASA-N 1 0 367.449 2.935 20 5 FFBDRO CC(C)CC1([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCS(=O)(=O)CC1 ZINC001254589139 1040819628 /nfs/dbraw/zinc/81/96/28/1040819628.db2.gz MTSHVJTXKFDIOT-MRXNPFEDSA-N 1 0 366.483 2.645 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1C[C@H]3CN(Cc4nccs4)C[C@H]3C1)C2 ZINC001254594307 1040821752 /nfs/dbraw/zinc/82/17/52/1040821752.db2.gz DGCVBYUSYZJILB-SOLBZPMBSA-N 1 0 370.478 2.582 20 5 FFBDRO CCOC[C@H]1C[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)Cc2cnn(CC)c21 ZINC001254594261 1040822569 /nfs/dbraw/zinc/82/25/69/1040822569.db2.gz CQTRVZGFUAQVAC-IEBWSBKVSA-N 1 0 370.453 2.914 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H](N1CC[NH+](CCc3cccs3)CC1)C2 ZINC001254601205 1040832378 /nfs/dbraw/zinc/83/23/78/1040832378.db2.gz VSZUGJQZDYQEOS-SFHVURJKSA-N 1 0 357.479 2.984 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H](n1ncc3cc(N4CC[NH2+]CC4)ccc31)C2 ZINC001254604017 1040832750 /nfs/dbraw/zinc/83/27/50/1040832750.db2.gz SHJYACOZRVMLTK-IBGZPJMESA-N 1 0 363.421 2.694 20 5 FFBDRO CC(C)(C)OC(=O)N1C[C@H]2C[N@@H+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@H]21 ZINC001254610636 1040839104 /nfs/dbraw/zinc/83/91/04/1040839104.db2.gz LWUUXAVMBHRENC-DJIMGWMZSA-N 1 0 359.426 2.613 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)c1F ZINC001262496328 1041705262 /nfs/dbraw/zinc/70/52/62/1041705262.db2.gz AUQSKQQIMKJFRY-RWMBFGLXSA-N 1 0 367.396 2.984 20 5 FFBDRO CCc1ccc([N+](=O)[O-])cc1-c1nnc(N2CC[NH+](C3CCC3)CC2)n1C ZINC001262912877 1041954992 /nfs/dbraw/zinc/95/49/92/1041954992.db2.gz OSQVPWOZSXJEPO-UHFFFAOYSA-N 1 0 370.457 2.627 20 5 FFBDRO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001263107910 1042107967 /nfs/dbraw/zinc/10/79/67/1042107967.db2.gz JCNHUEUHLZBYHE-KRWDZBQOSA-N 1 0 351.834 2.783 20 5 FFBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC001263193512 1042162385 /nfs/dbraw/zinc/16/23/85/1042162385.db2.gz KJTLNCGQRSURDX-WDEREUQCSA-N 1 0 363.361 2.668 20 5 FFBDRO Cc1cc(F)c(-c2nc(-c3ccc4c(n3)CC[NH2+]C4)no2)cc1[N+](=O)[O-] ZINC001216951066 1042170472 /nfs/dbraw/zinc/17/04/72/1042170472.db2.gz PACHFYMIYSPEDS-UHFFFAOYSA-N 1 0 355.329 2.800 20 5 FFBDRO CC(C)(CNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N)[NH+]1CCCCC1 ZINC001538443573 1070434921 /nfs/dbraw/zinc/43/49/21/1070434921.db2.gz XSBLPWSLYQKXBT-UHFFFAOYSA-N 1 0 372.828 2.964 20 5 FFBDRO COc1ccc(C[C@@H](C)[N@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 ZINC001319315927 1045107526 /nfs/dbraw/zinc/10/75/26/1045107526.db2.gz SIISTEIJNOOBJV-CYBMUJFWSA-N 1 0 357.410 2.765 20 5 FFBDRO CC(C)(C)[NH+]1CCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC001319404798 1045139585 /nfs/dbraw/zinc/13/95/85/1045139585.db2.gz RXKRIKCCOWUCCN-UHFFFAOYSA-N 1 0 354.838 2.603 20 5 FFBDRO Cc1nc(NCc2cccc(CN3CC[NH+](C)CC3)c2)ccc1[N+](=O)[O-] ZINC001319654035 1045228781 /nfs/dbraw/zinc/22/87/81/1045228781.db2.gz CGGWNYYKWISDPW-UHFFFAOYSA-N 1 0 355.442 2.658 20 5 FFBDRO C[C@@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC001539736328 1070690031 /nfs/dbraw/zinc/69/00/31/1070690031.db2.gz FAJOGNMFDFKJSX-KGLIPLIRSA-N 1 0 367.421 2.834 20 5 FFBDRO C[C@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001539740250 1070690778 /nfs/dbraw/zinc/69/07/78/1070690778.db2.gz XKFXFTQWEGBMPH-QWHCGFSZSA-N 1 0 363.414 2.658 20 5 FFBDRO CC1CC[NH+](CCc2nnc(CN(C)c3ccccc3[N+](=O)[O-])o2)CC1 ZINC001322359409 1046054304 /nfs/dbraw/zinc/05/43/04/1046054304.db2.gz JFRFRGBCOVBLBM-UHFFFAOYSA-N 1 0 359.430 2.889 20 5 FFBDRO O=[N+]([O-])c1cnn(CCSCc2ccc(CN3CCOCC3)cc2)c1 ZINC001325419054 1046501901 /nfs/dbraw/zinc/50/19/01/1046501901.db2.gz GVNNLNJTKFBGQD-UHFFFAOYSA-N 1 0 362.455 2.557 20 5 FFBDRO O=[N+]([O-])c1ccccc1C1=NO[C@H](c2nc([C@H]3C[NH+]4CCC3CC4)no2)C1 ZINC001325471714 1046519391 /nfs/dbraw/zinc/51/93/91/1046519391.db2.gz ZSZHWOCKSKCQCE-BBRMVZONSA-N 1 0 369.381 2.653 20 5 FFBDRO CCOc1cc(NC(=O)NCC[C@H](C)[NH2+]C)c([N+](=O)[O-])cc1OCC ZINC001325611364 1046576806 /nfs/dbraw/zinc/57/68/06/1046576806.db2.gz UGCMNUIPHXQOLT-NSHDSACASA-N 1 0 354.407 2.512 20 5 FFBDRO CN(C)c1ccc(CC[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC001325841521 1046657707 /nfs/dbraw/zinc/65/77/07/1046657707.db2.gz ZUQSAHSEHRHWQO-UHFFFAOYSA-N 1 0 356.426 2.822 20 5 FFBDRO CC[N@@H+]1CCC[C@@H](CN[C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C1 ZINC001325874430 1046670850 /nfs/dbraw/zinc/67/08/50/1046670850.db2.gz PSSGMDGXGFYNIE-MAUKXSAKSA-N 1 0 357.458 2.739 20 5 FFBDRO CS[C@@H]1CN(c2ncnc3c(Cl)cc([N+](=O)[O-])cc32)C[C@H]1[NH+](C)C ZINC001327662487 1047987775 /nfs/dbraw/zinc/98/77/75/1047987775.db2.gz ZDMUIOHNGUAVST-CHWSQXEVSA-N 1 0 367.862 2.673 20 5 FFBDRO CC1(C)[C@@H]2[NH2+]CCC[C@H]2[C@@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC001333221202 1048765930 /nfs/dbraw/zinc/76/59/30/1048765930.db2.gz RQLDIDMIDQZBJI-WQVCFCJDSA-N 1 0 351.834 2.684 20 5 FFBDRO COc1cc(C(=O)N2CCC3(CC2)CC[NH+](C)CC3)c([N+](=O)[O-])cc1F ZINC001330629928 1049238045 /nfs/dbraw/zinc/23/80/45/1049238045.db2.gz BZUWYAYUHSUPOC-UHFFFAOYSA-N 1 0 365.405 2.691 20 5 FFBDRO CCc1nnc(N(C)CCc2ccccc2[N+](=O)[O-])n1CC[N@H+](C)C(C)C ZINC001292860783 1049419695 /nfs/dbraw/zinc/41/96/95/1049419695.db2.gz RIDQTZFZPRJIAI-UHFFFAOYSA-N 1 0 374.489 2.768 20 5 FFBDRO Cn1c(Cc2cccc([N+](=O)[O-])c2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001339750864 1050171790 /nfs/dbraw/zinc/17/17/90/1050171790.db2.gz SJHVGWZJXVSKTC-UHFFFAOYSA-N 1 0 372.473 2.625 20 5 FFBDRO Cn1c(-c2c[nH]c([N+](=O)[O-])c2)nnc1N1CCC(C)([NH+]2CCCCC2)CC1 ZINC001339927620 1050342959 /nfs/dbraw/zinc/34/29/59/1050342959.db2.gz WQRNYQNRTWYJLF-UHFFFAOYSA-N 1 0 373.461 2.563 20 5 FFBDRO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])N[C@H]1CC[NH2+]C12CCCC2 ZINC001342126463 1050721463 /nfs/dbraw/zinc/72/14/63/1050721463.db2.gz CUVCJEAMSWILAR-HNNXBMFYSA-N 1 0 351.834 2.972 20 5 FFBDRO O=C(NC[C@@H]1CCCCC[NH2+]1)c1c(Br)cccc1[N+](=O)[O-] ZINC001342207779 1050801540 /nfs/dbraw/zinc/80/15/40/1050801540.db2.gz ZCNCRKBHHODKRA-JTQLQIEISA-N 1 0 356.220 2.619 20 5 FFBDRO O=C(Cc1ccccc1[N+](=O)[O-])N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC001342231443 1050820787 /nfs/dbraw/zinc/82/07/87/1050820787.db2.gz GKEDUZAVSIAEFB-OXJNMPFZSA-N 1 0 367.405 2.509 20 5 FFBDRO O=C(N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001340700799 1051065387 /nfs/dbraw/zinc/06/53/87/1051065387.db2.gz GSVMNPMTOCFPRV-AKHDSKFASA-N 1 0 351.406 2.570 20 5 FFBDRO [NH3+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC001342858913 1051467518 /nfs/dbraw/zinc/46/75/18/1051467518.db2.gz LBYOCDOLRLOAHD-MCNSAMFCSA-N 1 0 365.433 2.874 20 5 FFBDRO CC(C)n1ccc(CC(=O)O[C@H]2CCN(Cc3cccc([N+](=O)[O-])c3)C2)n1 ZINC001343371727 1052189597 /nfs/dbraw/zinc/18/95/97/1052189597.db2.gz PQJZTVSZKBDAMQ-SFHVURJKSA-N 1 0 372.425 2.732 20 5 FFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@]12C[C@H]1COC21CCC1 ZINC001345089628 1052251316 /nfs/dbraw/zinc/25/13/16/1052251316.db2.gz INFVFSAYFZHKEQ-QWQRMKEZSA-N 1 0 359.426 2.861 20 5 FFBDRO C[NH+](C)C[C@]1(O)CCCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)C1 ZINC001307152441 1052259189 /nfs/dbraw/zinc/25/91/89/1052259189.db2.gz BWPCVJATTSDKFH-LJQANCHMSA-N 1 0 374.416 2.689 20 5 FFBDRO CC1([C@@H]2CCC[N@H+](Cc3nnc(-c4ccccc4[N+](=O)[O-])o3)C2)OCCO1 ZINC001307600442 1052325438 /nfs/dbraw/zinc/32/54/38/1052325438.db2.gz BRTLBKBUTFIUCU-CYBMUJFWSA-N 1 0 374.397 2.620 20 5 FFBDRO Cc1c(C[NH2+]CCCN2C(=O)c3ccccc3C2=O)cccc1[N+](=O)[O-] ZINC001308397416 1052453953 /nfs/dbraw/zinc/45/39/53/1052453953.db2.gz JUJFHCRLLTVSMN-UHFFFAOYSA-N 1 0 353.378 2.679 20 5 FFBDRO Cc1cc(NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)ccc1N1CC[NH+](C)CC1 ZINC001345616486 1052540057 /nfs/dbraw/zinc/54/00/57/1052540057.db2.gz CRPUHFAIGJBAKS-HXUWFJFHSA-N 1 0 370.453 2.801 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+]2CCC(Nc3ccccc3)CC2)c1 ZINC001334934620 1053155783 /nfs/dbraw/zinc/15/57/83/1053155783.db2.gz BDBQKXYQLQVYJN-LJQANCHMSA-N 1 0 371.437 2.911 20 5 FFBDRO CCc1csc([C@@H](C)[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])n1 ZINC001336034111 1053720744 /nfs/dbraw/zinc/72/07/44/1053720744.db2.gz DNZFGBOMECQTDN-YPMHNXCESA-N 1 0 351.428 2.704 20 5 FFBDRO Nc1c(NC(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)cc(Cl)cc1[N+](=O)[O-] ZINC001347391923 1053927022 /nfs/dbraw/zinc/92/70/22/1053927022.db2.gz PHIPKYDRLJRHLV-LLVKDONJSA-N 1 0 353.810 2.532 20 5 FFBDRO Cc1cc2ncn(C[C@@H](O)C[NH2+]Cc3ccccc3[N+](=O)[O-])c2cc1C ZINC001336697926 1054147003 /nfs/dbraw/zinc/14/70/03/1054147003.db2.gz CBFPZIMTWYSPSD-INIZCTEOSA-N 1 0 354.410 2.712 20 5 FFBDRO CCOc1cccc(CC[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])n1 ZINC001336702833 1054150978 /nfs/dbraw/zinc/15/09/78/1054150978.db2.gz GMKUCWOPZLRSFQ-UHFFFAOYSA-N 1 0 358.398 2.549 20 5 FFBDRO CN1CC[NH+](CC2CCN(c3cc(Cl)c(F)cc3[N+](=O)[O-])CC2)CC1 ZINC001336932279 1054347577 /nfs/dbraw/zinc/34/75/77/1054347577.db2.gz GDMJVHIXXZSDQK-UHFFFAOYSA-N 1 0 370.856 2.851 20 5 FFBDRO COc1cccc([C@@H]2C[NH2+]CCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2)c1 ZINC001337035338 1054427967 /nfs/dbraw/zinc/42/79/67/1054427967.db2.gz SNGUEMLBQQWYAX-KRWDZBQOSA-N 1 0 359.357 2.529 20 5 FFBDRO CN1CC[C@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(F)cc1 ZINC001348950091 1055014546 /nfs/dbraw/zinc/01/45/46/1055014546.db2.gz BETUMQMXYFPRRB-GBESFXJTSA-N 1 0 359.401 2.802 20 5 FFBDRO O=[N+]([O-])c1ccc(CN2CCC([NH2+]C3CCOCC3)CC2)c(Cl)c1 ZINC001338310810 1055408365 /nfs/dbraw/zinc/40/83/65/1055408365.db2.gz UNQVYTGDTRTPQH-UHFFFAOYSA-N 1 0 353.850 2.981 20 5 FFBDRO CC[N@H+]1[C@H](C)CN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)C[C@@H]1C ZINC001300086832 1055722073 /nfs/dbraw/zinc/72/20/73/1055722073.db2.gz LQKGWPFGWQAFNH-DTORHVGOSA-N 1 0 358.801 2.524 20 5 FFBDRO CCC1([NH+](C)C)CCN(c2nnc(Cc3cccc([N+](=O)[O-])c3)n2C)CC1 ZINC001338923788 1055936757 /nfs/dbraw/zinc/93/67/57/1055936757.db2.gz IFHKPBOPYHLMQH-UHFFFAOYSA-N 1 0 372.473 2.625 20 5 FFBDRO CC1(C)[C@@H]2[NH2+]CCC[C@@H]2[C@@H]1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC001353092857 1056069455 /nfs/dbraw/zinc/06/94/55/1056069455.db2.gz KSWIYSVTVJZAPW-QGTPRVQTSA-N 1 0 372.469 2.701 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)c2nnc(-c3csc([N+](=O)[O-])c3)n2C)[C@@H](C)C1 ZINC001339521495 1056545111 /nfs/dbraw/zinc/54/51/11/1056545111.db2.gz LTBFBADJWVICDT-WCQYABFASA-N 1 0 364.475 2.618 20 5 FFBDRO CCn1c(-c2c[nH]c([N+](=O)[O-])c2)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC001339549717 1056573270 /nfs/dbraw/zinc/57/32/70/1056573270.db2.gz OVXYLYOMXYTRFU-CYBMUJFWSA-N 1 0 373.461 2.512 20 5 FFBDRO O=C(c1[nH]nc([N+](=O)[O-])c1Cl)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC001545062680 1071728953 /nfs/dbraw/zinc/72/89/53/1071728953.db2.gz NHBYURHBXGDUMU-UHFFFAOYSA-N 1 0 369.853 2.700 20 5 FFBDRO CC[C@@H](C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)N1CCO[C@@H](CC)C1 ZINC001445407704 1058400591 /nfs/dbraw/zinc/40/05/91/1058400591.db2.gz BGQVAGSLKYEDKF-IRXDYDNUSA-N 1 0 363.458 2.836 20 5 FFBDRO O=C(NCC[C@H]1CSCC[NH2+]1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC001353949482 1058416517 /nfs/dbraw/zinc/41/65/17/1058416517.db2.gz SWFHEUJENXNHJE-NSHDSACASA-N 1 0 351.453 2.634 20 5 FFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1ccc(Nc2cc[nH+]cc2)cc1 ZINC001454211575 1059464008 /nfs/dbraw/zinc/46/40/08/1059464008.db2.gz WFJUXWKTLVCDDZ-UHFFFAOYSA-N 1 0 363.377 2.789 20 5 FFBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)C[C@@H]1C ZINC001520580858 1059828700 /nfs/dbraw/zinc/82/87/00/1059828700.db2.gz QZNSHTIHZBWFSC-STQMWFEESA-N 1 0 356.426 2.885 20 5 FFBDRO Cc1sccc1CC(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001355082002 1059869923 /nfs/dbraw/zinc/86/99/23/1059869923.db2.gz RYXXTRZJVFBDEI-UHFFFAOYSA-N 1 0 374.466 2.898 20 5 FFBDRO CCn1c(-c2ccc([N+](=O)[O-])o2)nnc1N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001520821197 1060115199 /nfs/dbraw/zinc/11/51/99/1060115199.db2.gz YLSMRPWXBGVSHJ-BFHYXJOUSA-N 1 0 374.445 2.633 20 5 FFBDRO CCN(CCc1nccs1)CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848482272 1060116364 /nfs/dbraw/zinc/11/63/64/1060116364.db2.gz KXFASTQGMFVSSQ-MRXNPFEDSA-N 1 0 374.466 2.889 20 5 FFBDRO COc1cc(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C(C)C)ccc1[N+](=O)[O-] ZINC001457084930 1060271088 /nfs/dbraw/zinc/27/10/88/1060271088.db2.gz FRSFPADBBFLJDN-NVXWUHKLSA-N 1 0 361.442 2.938 20 5 FFBDRO O=C(N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc([N+](=O)[O-])cc1F ZINC001355560357 1060360544 /nfs/dbraw/zinc/36/05/44/1060360544.db2.gz XWUQNOGRGINHOR-VQIMIIECSA-N 1 0 371.368 2.720 20 5 FFBDRO CCC(C)(C)[NH+]1CCN(c2c([N+](=O)[O-])cc(CO)c(C)c2[N+](=O)[O-])CC1 ZINC000848762152 1060627665 /nfs/dbraw/zinc/62/76/65/1060627665.db2.gz IUPJDLKXBSLEJD-UHFFFAOYSA-N 1 0 366.418 2.614 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(F)c(C(=O)NCC23CCC[NH+](CCC2)C3)c1F ZINC001521752595 1061110804 /nfs/dbraw/zinc/11/08/04/1061110804.db2.gz YAVXJLJMOZVKHV-UHFFFAOYSA-N 1 0 353.369 2.787 20 5 FFBDRO CCc1nnc(N(C)Cc2ccccc2[N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H]1C ZINC001546421694 1061132874 /nfs/dbraw/zinc/13/28/74/1061132874.db2.gz OWXLWSNIFPEMBC-HNNXBMFYSA-N 1 0 372.473 2.869 20 5 FFBDRO Cc1c(C[NH2+]C[C@@H](O)COc2ccc(F)c(F)c2)cccc1[N+](=O)[O-] ZINC001461167742 1061232998 /nfs/dbraw/zinc/23/29/98/1061232998.db2.gz SSIJXTYNQPXKHX-CYBMUJFWSA-N 1 0 352.337 2.711 20 5 FFBDRO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1N)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001546208134 1061309962 /nfs/dbraw/zinc/30/99/62/1061309962.db2.gz GMCQQGRNPUGWEX-ZBFHGGJFSA-N 1 0 368.437 2.817 20 5 FFBDRO COc1c(O)ccc(C[NH2+]C[C@@](C)(O)c2ccccc2Cl)c1[N+](=O)[O-] ZINC001462045584 1061487100 /nfs/dbraw/zinc/48/71/00/1061487100.db2.gz BGVGEQFZHHZNCO-QGZVFWFLSA-N 1 0 366.801 2.960 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC001462123325 1061509697 /nfs/dbraw/zinc/50/96/97/1061509697.db2.gz OFZXLWWROVHHNW-PBHICJAKSA-N 1 0 368.437 2.796 20 5 FFBDRO CCOC(=O)[C@@]1(C(C)C)CC[N@H+](Cc2ccc(O)c(OC)c2[N+](=O)[O-])C1 ZINC001462174076 1061527273 /nfs/dbraw/zinc/52/72/73/1061527273.db2.gz MTXNBXZGPLPQHU-SFHVURJKSA-N 1 0 366.414 2.720 20 5 FFBDRO CC(C)c1nnc(N(C)Cc2ccccc2[N+](=O)[O-])n1C[C@@H](C)[NH+](C)C ZINC001359681863 1061628706 /nfs/dbraw/zinc/62/87/06/1061628706.db2.gz URFKYDANZHSCKK-CQSZACIVSA-N 1 0 360.462 2.896 20 5 FFBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NCC12CCC[NH+](CCC1)C2 ZINC001528626859 1061983067 /nfs/dbraw/zinc/98/30/67/1061983067.db2.gz HFCFDRJFPUSPDU-UHFFFAOYSA-N 1 0 369.824 2.922 20 5 FFBDRO [NH3+][C@@H]1CN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CC[C@H]1C(F)(F)F ZINC001522666950 1062245816 /nfs/dbraw/zinc/24/58/16/1062245816.db2.gz LAWCAOABIQNXRS-PSASIEDQSA-N 1 0 351.712 2.600 20 5 FFBDRO C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001435043999 1062380693 /nfs/dbraw/zinc/38/06/93/1062380693.db2.gz JPDGVUPMLGYANQ-CVEARBPZSA-N 1 0 356.426 2.933 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])s1)N1C[C@@H](C[C@H]2COCC[NH2+]2)c2ccccc21 ZINC001523288237 1062424453 /nfs/dbraw/zinc/42/44/53/1062424453.db2.gz WYTNUFAHQMBKHF-OLZOCXBDSA-N 1 0 373.434 2.779 20 5 FFBDRO CC1CCC([NH+]2CCN(C(=O)Cc3ccc(F)cc3[N+](=O)[O-])CC2)CC1 ZINC001531511903 1062786557 /nfs/dbraw/zinc/78/65/57/1062786557.db2.gz YVDRRDCYFDWLSD-UHFFFAOYSA-N 1 0 363.433 2.999 20 5 FFBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001465900087 1063256464 /nfs/dbraw/zinc/25/64/64/1063256464.db2.gz NFOFCXZTVPPUMS-BZNIZROVSA-N 1 0 354.410 2.543 20 5 FFBDRO CC1CC[NH+](CC[C@H]2CCCN2C(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC001465946148 1063273727 /nfs/dbraw/zinc/27/37/27/1063273727.db2.gz YDBLGNPSWMAIHL-OAHLLOKOSA-N 1 0 361.446 2.530 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC001533530528 1063329655 /nfs/dbraw/zinc/32/96/55/1063329655.db2.gz FJVDKWSMTDXKLN-MRXNPFEDSA-N 1 0 354.410 2.645 20 5 FFBDRO Cc1c(NC(=O)N[C@H]2CC[N@H+](C)[C@@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC001466389165 1063420370 /nfs/dbraw/zinc/42/03/70/1063420370.db2.gz QGYUZBMVUBEFFF-KOLCDFICSA-N 1 0 371.235 2.880 20 5 FFBDRO CCC[C@H]1CN(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)CC[N@@H+]1CCOC ZINC001466676405 1063517234 /nfs/dbraw/zinc/51/72/34/1063517234.db2.gz FSQGWQXMRQFHRD-AWEZNQCLSA-N 1 0 368.409 2.699 20 5 FFBDRO C[NH+](C)C[C@@H]1CCN(C(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])C1 ZINC001466794875 1063560710 /nfs/dbraw/zinc/56/07/10/1063560710.db2.gz SYKNRPURCQJMPH-AWEZNQCLSA-N 1 0 354.410 2.681 20 5 FFBDRO Cc1c(CNC(=O)N[C@@H](CC[NH+](C)C)c2cccnc2)cccc1[N+](=O)[O-] ZINC001469776396 1064208642 /nfs/dbraw/zinc/20/86/42/1064208642.db2.gz HWSANMIJPNVETL-KRWDZBQOSA-N 1 0 371.441 2.790 20 5 FFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001471030882 1064530514 /nfs/dbraw/zinc/53/05/14/1064530514.db2.gz OBGMUKUVZNQCOQ-ZBFHGGJFSA-N 1 0 368.437 2.675 20 5 FFBDRO COC(=O)c1cnc(N2CCC(c3[nH]c(C)c(C)[nH+]3)CC2)c([N+](=O)[O-])c1 ZINC001472879362 1065165936 /nfs/dbraw/zinc/16/59/36/1065165936.db2.gz UEUSZRTXFSUOKY-UHFFFAOYSA-N 1 0 359.386 2.500 20 5 FFBDRO COc1cccc(C[C@H]2CN(c3c([N+](=O)[O-])cccc3[N+](=O)[O-])CC[NH2+]2)c1 ZINC001472907066 1065172640 /nfs/dbraw/zinc/17/26/40/1065172640.db2.gz ZEQSFBQULNFVKF-AWEZNQCLSA-N 1 0 372.381 2.533 20 5 FFBDRO C[C@@]([NH3+])(C(=O)N[C@H]1CCOc2ccc(F)cc21)c1cccc([N+](=O)[O-])c1 ZINC001576081047 1078193781 /nfs/dbraw/zinc/19/37/81/1078193781.db2.gz HDRVHMJJIYWHJY-YJBOKZPZSA-N 1 0 359.357 2.548 20 5 FFBDRO C[C@@]([NH3+])(C(=O)NCc1c(F)cccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC001576080672 1078193943 /nfs/dbraw/zinc/19/39/43/1078193943.db2.gz FMFTUHFBJPWXRG-INIZCTEOSA-N 1 0 351.765 2.878 20 5 FFBDRO CCC1(CC)CCC[N@@H+]1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001473769553 1065352448 /nfs/dbraw/zinc/35/24/48/1065352448.db2.gz JSDLFEXLJOQEGS-UHFFFAOYSA-N 1 0 374.485 2.898 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCN1C(=O)COc2ccccc21 ZINC001473990255 1065434603 /nfs/dbraw/zinc/43/46/03/1065434603.db2.gz MGPCRYCOWIDIMF-UHFFFAOYSA-N 1 0 355.394 2.727 20 5 FFBDRO Cc1ccc(Br)c(F)c1C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC001474054401 1065446755 /nfs/dbraw/zinc/44/67/55/1065446755.db2.gz CDKVZNBWUYWOIT-UHFFFAOYSA-N 1 0 357.183 2.791 20 5 FFBDRO CC1(C)C[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H]([NH3+])C1 ZINC001576404566 1078225525 /nfs/dbraw/zinc/22/55/25/1078225525.db2.gz DQOARWVGPYAQEL-HUUCEWRRSA-N 1 0 370.457 2.827 20 5 FFBDRO CC[C@@H](C)c1nnc(N2CCc3ccc([N+](=O)[O-])cc3C2)n1C[C@@H](C)[NH3+] ZINC001577037614 1078297513 /nfs/dbraw/zinc/29/75/13/1078297513.db2.gz SANCBPAVJQRNRZ-CHWSQXEVSA-N 1 0 358.446 2.610 20 5 FFBDRO C[NH2+][C@@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2(C)CC2)C1 ZINC001578597850 1078497667 /nfs/dbraw/zinc/49/76/67/1078497667.db2.gz XPDWHHLODOWXCF-OAHLLOKOSA-N 1 0 370.457 2.842 20 5 FFBDRO COC(=O)c1cc(NC(=O)C[C@H]2[NH2+]Cc3ccccc32)cc([N+](=O)[O-])c1 ZINC001578859465 1078535073 /nfs/dbraw/zinc/53/50/73/1078535073.db2.gz SCZAFOSYRLYLIV-MRXNPFEDSA-N 1 0 355.350 2.555 20 5 FFBDRO COc1ccc([C@@H]2C[NH2+]CCN2C(=O)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC001579203062 1078588952 /nfs/dbraw/zinc/58/89/52/1078588952.db2.gz MRYFYSYNFWZOHG-SFHVURJKSA-N 1 0 355.394 2.699 20 5 FFBDRO COc1ccc([C@H]2C[NH2+]CCN2C(=O)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC001579203060 1078587485 /nfs/dbraw/zinc/58/74/85/1078587485.db2.gz MRYFYSYNFWZOHG-GOSISDBHSA-N 1 0 355.394 2.699 20 5 FFBDRO C[C@@H]([NH3+])Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H]2CCC[C@H]21 ZINC001579401873 1078625802 /nfs/dbraw/zinc/62/58/02/1078625802.db2.gz BUDVLTPDPSSASJ-XJKCOSOUSA-N 1 0 356.430 2.579 20 5 FFBDRO CSc1ccc(C(=O)NCc2cccc3c2CC[NH2+]C3)cc1[N+](=O)[O-] ZINC001579387975 1078624833 /nfs/dbraw/zinc/62/48/33/1078624833.db2.gz QCQLYAQFRZHPAM-UHFFFAOYSA-N 1 0 357.435 2.892 20 5 FFBDRO CSc1cccc(C(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)c1[N+](=O)[O-] ZINC001579392658 1078624866 /nfs/dbraw/zinc/62/48/66/1078624866.db2.gz DBYRNPZTQMXCRB-NSHDSACASA-N 1 0 358.423 2.780 20 5 FFBDRO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001579454028 1078631593 /nfs/dbraw/zinc/63/15/93/1078631593.db2.gz SUMGZWSLAPIGMI-UKRRQHHQSA-N 1 0 354.410 2.632 20 5 FFBDRO C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC001579465545 1078632418 /nfs/dbraw/zinc/63/24/18/1078632418.db2.gz GXURAFKGOCRPGC-FZKQIMNGSA-N 1 0 354.410 2.545 20 5 FFBDRO Cc1ccc(CNC(=O)[C@H]([NH3+])Cc2cc3ccccc3o2)cc1[N+](=O)[O-] ZINC001579692060 1078663783 /nfs/dbraw/zinc/66/37/83/1078663783.db2.gz QWDQCWLRPJTXNH-MRXNPFEDSA-N 1 0 353.378 2.836 20 5 FFBDRO Cc1ccc(CNC(=O)[C@@H]([NH3+])Cc2c[nH]c3ccccc23)cc1[N+](=O)[O-] ZINC001579696463 1078664635 /nfs/dbraw/zinc/66/46/35/1078664635.db2.gz OFHSBJUMOOTUHZ-INIZCTEOSA-N 1 0 352.394 2.571 20 5 FFBDRO Cc1cccc2c1C[NH2+]CCN2[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001579779879 1078681522 /nfs/dbraw/zinc/68/15/22/1078681522.db2.gz WHFPXRKUPAGYED-CQSZACIVSA-N 1 0 354.410 2.840 20 5 FFBDRO [NH3+][C@@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC[C@H]1C(F)(F)F ZINC001580206492 1078765514 /nfs/dbraw/zinc/76/55/14/1078765514.db2.gz CHYHORZYTIKWSJ-GHMZBOCLSA-N 1 0 357.288 2.693 20 5 FFBDRO O=C(Nc1ccc([N+](=O)[O-])c2ncccc12)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC001580770283 1078857988 /nfs/dbraw/zinc/85/79/88/1078857988.db2.gz KEWKCFDFJWXEAS-CQSZACIVSA-N 1 0 354.288 2.624 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)n1 ZINC001556897482 1075786837 /nfs/dbraw/zinc/78/68/37/1075786837.db2.gz LYDAPZQLQGEOOV-YOEHRIQHSA-N 1 0 354.410 2.691 20 5 FFBDRO CCc1cc(N2CC[C@@H]3C[N@H+](C)C[C@@H]32)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001559199995 1076134247 /nfs/dbraw/zinc/13/42/47/1076134247.db2.gz JGYRDIFVZMNFSN-PBHICJAKSA-N 1 0 353.426 2.755 20 5 FFBDRO Cc1c(Br)c(N2C[C@]3(C)C[NH+](C)C[C@@]3(C)C2)ncc1[N+](=O)[O-] ZINC001559250541 1076139846 /nfs/dbraw/zinc/13/98/46/1076139846.db2.gz ZVEXHPSDNHFDGA-GJZGRUSLSA-N 1 0 369.263 2.839 20 5 FFBDRO CCO[C@@H](CNc1c2cc(Cl)ccc2ncc1[N+](=O)[O-])C[NH+](C)C ZINC001559276355 1076144183 /nfs/dbraw/zinc/14/41/83/1076144183.db2.gz YGSJDYUXNIRFQC-LBPRGKRZSA-N 1 0 352.822 2.597 20 5 FFBDRO CCOc1ccccc1OCC[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001560066399 1076221002 /nfs/dbraw/zinc/22/10/02/1076221002.db2.gz SZNLCIZQUAVINM-IBGZPJMESA-N 1 0 360.410 2.870 20 5 FFBDRO C[C@](CO)([NH2+]CCc1nc(-c2ccccc2)no1)c1cccc([N+](=O)[O-])c1 ZINC001560066248 1076221188 /nfs/dbraw/zinc/22/11/88/1076221188.db2.gz NLGPBIWYJUMMQA-LJQANCHMSA-N 1 0 368.393 2.685 20 5 FFBDRO COc1ccc(OCCN2CC[N@H+](C3CCCC3)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC001560144985 1076234980 /nfs/dbraw/zinc/23/49/80/1076234980.db2.gz VZLPJXAZKFDTNE-HNNXBMFYSA-N 1 0 363.458 2.931 20 5 FFBDRO COc1ccc(COCC[NH2+]Cc2cc(OC)c(O)cc2[N+](=O)[O-])cc1 ZINC001560420978 1076272612 /nfs/dbraw/zinc/27/26/12/1076272612.db2.gz UMKZACNTTYEGHJ-UHFFFAOYSA-N 1 0 362.382 2.624 20 5 FFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC(=O)N(C)OCC(F)(F)F ZINC001560616608 1076283922 /nfs/dbraw/zinc/28/39/22/1076283922.db2.gz MIYLBUFTBHULQC-IZZDOVSWSA-N 1 0 361.320 2.540 20 5 FFBDRO Nc1c(Cl)cc(C(=O)NC2CC[NH+](C3CCCC3)CC2)cc1[N+](=O)[O-] ZINC001566216395 1076934616 /nfs/dbraw/zinc/93/46/16/1076934616.db2.gz NIGXSYLLOKRKDD-UHFFFAOYSA-N 1 0 366.849 2.967 20 5 FFBDRO CN(C(=O)c1ccc([N+](=O)[O-])cc1N)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001566364206 1076951203 /nfs/dbraw/zinc/95/12/03/1076951203.db2.gz IAQZXTFIVKSVRL-INIZCTEOSA-N 1 0 354.410 2.524 20 5 FFBDRO Cc1cc(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)ccc1[N+](=O)[O-] ZINC001569503339 1077150246 /nfs/dbraw/zinc/15/02/46/1077150246.db2.gz KRFCJNDUVOUGEE-DZFIZOCASA-N 1 0 351.406 2.763 20 5 FFBDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)c2cnc(N)c([N+](=O)[O-])c2)CC1 ZINC001586219929 1079577278 /nfs/dbraw/zinc/57/72/78/1079577278.db2.gz CFKDZSHUQTVSKO-CYBMUJFWSA-N 1 0 369.425 2.527 20 5 FFBDRO CC(=Cc1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001588771250 1080188206 /nfs/dbraw/zinc/18/82/06/1080188206.db2.gz SYEYCPWNLLSRSJ-JYRVWZFOSA-N 1 0 350.382 2.968 20 5 FFBDRO CC(C)(C)OC[C@@H]1CCC[N@@H+]1Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001589199159 1080413594 /nfs/dbraw/zinc/41/35/94/1080413594.db2.gz XNNKCTYSUVZHNX-LBPRGKRZSA-N 1 0 360.418 2.554 20 5 FFBDRO CCC[N@@H+]1CCC[C@@H]1C(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC001589277044 1080460438 /nfs/dbraw/zinc/46/04/38/1080460438.db2.gz PTWIIPGFABPDRF-CYBMUJFWSA-N 1 0 370.247 2.848 20 5 FFBDRO C[C@@H](Cc1cccs1)[N@H+](C)Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001589903151 1080852192 /nfs/dbraw/zinc/85/21/92/1080852192.db2.gz RVBQLPAAYQDZPV-NSHDSACASA-N 1 0 358.427 2.899 20 5 FFBDRO CC1([NH+]2CCC2)CCC(Nc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])CC1 ZINC001590141802 1081046205 /nfs/dbraw/zinc/04/62/05/1081046205.db2.gz NZRSTDNHGDUJJR-UHFFFAOYSA-N 1 0 357.418 2.594 20 5 FFBDRO CC1([NH+]2CCCC2)CCC(Nc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])CC1 ZINC001590141747 1081046568 /nfs/dbraw/zinc/04/65/68/1081046568.db2.gz MRASZXCDHACOST-UHFFFAOYSA-N 1 0 371.445 2.984 20 5 FFBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC001590189951 1081078864 /nfs/dbraw/zinc/07/88/64/1081078864.db2.gz YAGNRZJZGSDGTN-BETUJISGSA-N 1 0 359.434 2.555 20 5 FFBDRO CCOC(=O)[C@H]1CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000026218833 249341104 /nfs/dbraw/zinc/34/11/04/249341104.db2.gz OLMJRTMSNPKHKT-AWEZNQCLSA-N 1 0 363.414 2.507 20 5 FFBDRO C[NH+]1CCC(Nc2ccc(I)cc2[N+](=O)[O-])CC1 ZINC000097334066 250064885 /nfs/dbraw/zinc/06/48/85/250064885.db2.gz MQACIRYUEUGTPM-UHFFFAOYSA-N 1 0 361.183 2.706 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000093910507 250049813 /nfs/dbraw/zinc/04/98/13/250049813.db2.gz HQSIOKXVZBKDGY-HUUCEWRRSA-N 1 0 363.458 2.749 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106891574 250296811 /nfs/dbraw/zinc/29/68/11/250296811.db2.gz DABJBDNIDGFLBM-GFCCVEGCSA-N 1 0 373.862 2.543 20 5 FFBDRO CNS(=O)(=O)c1cccc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000131989896 251035662 /nfs/dbraw/zinc/03/56/62/251035662.db2.gz LRLCLMUTRSLONY-ZDUSSCGKSA-N 1 0 363.439 2.662 20 5 FFBDRO COc1cc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)ccc1[N+](=O)[O-] ZINC000153326392 251125565 /nfs/dbraw/zinc/12/55/65/251125565.db2.gz UGCUCPJIVDHMLR-ZBFHGGJFSA-N 1 0 359.426 2.692 20 5 FFBDRO COc1cc(C[NH2+][C@H](C)[C@@H]2CCOC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000163002054 251164569 /nfs/dbraw/zinc/16/45/69/251164569.db2.gz VBCCNMTXCYCHQZ-GHMZBOCLSA-N 1 0 360.357 2.762 20 5 FFBDRO COc1ccc(CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000267370873 251336489 /nfs/dbraw/zinc/33/64/89/251336489.db2.gz RTWQFHZLWGWJNU-OAHLLOKOSA-N 1 0 361.442 2.874 20 5 FFBDRO COc1cc(CN(C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)ccc1O ZINC000267407914 251346751 /nfs/dbraw/zinc/34/67/51/251346751.db2.gz SLJUDYLABFAESZ-UHFFFAOYSA-N 1 0 360.366 2.808 20 5 FFBDRO COc1cc(C[NH2+]C[C@@H]2CCCC[C@H]2O)c([N+](=O)[O-])cc1OCC(F)F ZINC000272349037 252017802 /nfs/dbraw/zinc/01/78/02/252017802.db2.gz CWZYYSMEFVBTRP-SMDDNHRTSA-N 1 0 374.384 2.888 20 5 FFBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)[C@H]2C1 ZINC000272415049 252032249 /nfs/dbraw/zinc/03/22/49/252032249.db2.gz GAXDPHAGXPFEKE-HZMBPMFUSA-N 1 0 357.332 2.780 20 5 FFBDRO Cn1ccnc1[C@@H](NCC[NH+]1CCCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000272470379 252045167 /nfs/dbraw/zinc/04/51/67/252045167.db2.gz AFESKWRXVKNHHV-SFHVURJKSA-N 1 0 357.458 2.883 20 5 FFBDRO COc1cc(C[NH2+]CCCn2ccnc2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272503217 252054456 /nfs/dbraw/zinc/05/44/56/252054456.db2.gz VYVCAABGSQWINK-UHFFFAOYSA-N 1 0 370.356 2.624 20 5 FFBDRO COc1cc(CNCC(C)(C)[NH+](C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000272523952 252059882 /nfs/dbraw/zinc/05/98/82/252059882.db2.gz YONYNKRPNMEWOC-UHFFFAOYSA-N 1 0 361.389 2.677 20 5 FFBDRO COc1cc(C[NH2+]Cc2ccn(C)c2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272531136 252062308 /nfs/dbraw/zinc/06/23/08/252062308.db2.gz ZPMQZYFLGIBBLO-UHFFFAOYSA-N 1 0 355.341 2.876 20 5 FFBDRO CC[C@@H](CN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)[NH+]1CCCC1 ZINC000272586781 252073788 /nfs/dbraw/zinc/07/37/88/252073788.db2.gz ZFLQCZVOCBHKKR-WMZOPIPTSA-N 1 0 357.458 2.882 20 5 FFBDRO COc1cc(C(=O)NCC[C@H](C)[NH+]2CCCCC2)cc([N+](=O)[O-])c1OC ZINC000273207996 252251161 /nfs/dbraw/zinc/25/11/61/252251161.db2.gz JLFJFCABORFLOM-ZDUSSCGKSA-N 1 0 365.430 2.606 20 5 FFBDRO CCOc1cccc(NCc2ccc(N3CC[NH+](C)CC3)nc2)c1[N+](=O)[O-] ZINC000273836216 255798446 /nfs/dbraw/zinc/79/84/46/255798446.db2.gz GVSUPQLBEZJFBF-UHFFFAOYSA-N 1 0 371.441 2.752 20 5 FFBDRO COc1cc(C[N@H+](C)[C@H]2CC[C@H](O)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000275877061 256056126 /nfs/dbraw/zinc/05/61/26/256056126.db2.gz OOHXECGVWJDBFD-JOCQHMNTSA-N 1 0 374.384 2.983 20 5 FFBDRO CC1CC[NH+](CCCNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CC1 ZINC000276014161 256065731 /nfs/dbraw/zinc/06/57/31/256065731.db2.gz ABMSUIXMFHERJJ-UHFFFAOYSA-N 1 0 355.460 2.532 20 5 FFBDRO C[C@@H](CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)C[NH+]1CCCCC1 ZINC000276209783 256081060 /nfs/dbraw/zinc/08/10/60/256081060.db2.gz KBDMYGYKRLEJKK-ZDUSSCGKSA-N 1 0 355.460 2.532 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(CC[NH+](C)C)cc2)c1 ZINC000276307415 256088873 /nfs/dbraw/zinc/08/88/73/256088873.db2.gz WPGHSXLCUXWYQD-UHFFFAOYSA-N 1 0 357.410 2.638 20 5 FFBDRO CN(C(=O)c1cc([N+](=O)[O-])ccc1N)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000276484010 256103891 /nfs/dbraw/zinc/10/38/91/256103891.db2.gz GKJLWXVMANCVKM-INIZCTEOSA-N 1 0 354.410 2.524 20 5 FFBDRO Cc1nccn1CCNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000278444845 256313503 /nfs/dbraw/zinc/31/35/03/256313503.db2.gz MGVNOFDRCSJHBT-UHFFFAOYSA-N 1 0 371.319 2.618 20 5 FFBDRO COCc1nc2n(n1)C[C@H]([NH2+][C@@H]1CC(C)(C)c3ccc([N+](=O)[O-])cc31)CC2 ZINC000279171557 256389502 /nfs/dbraw/zinc/38/95/02/256389502.db2.gz UUQWUQQZTGTZEZ-MLGOLLRUSA-N 1 0 371.441 2.660 20 5 FFBDRO CN(CCC[NH+]1CCCC1)C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000281692072 256655159 /nfs/dbraw/zinc/65/51/59/256655159.db2.gz LKEZJHTVBVRURG-UHFFFAOYSA-N 1 0 360.458 2.753 20 5 FFBDRO O=C(CC[N@@H+]1CCC[C@H]1[C@@H]1CCCO1)Nc1cc([N+](=O)[O-])ccc1F ZINC000284656772 256941617 /nfs/dbraw/zinc/94/16/17/256941617.db2.gz GGFNXNNIDIKCNZ-HOTGVXAUSA-N 1 0 351.378 2.706 20 5 FFBDRO [NH3+]CC[C@H]1CCCCN1C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000286180456 257024539 /nfs/dbraw/zinc/02/45/39/257024539.db2.gz RHTIQTVSBADHHP-CYBMUJFWSA-N 1 0 355.822 2.747 20 5 FFBDRO COc1ccc(C[NH2+][C@@H](C)c2ccc3c(c2)OCC(=O)N3)cc1[N+](=O)[O-] ZINC000286290667 257029887 /nfs/dbraw/zinc/02/98/87/257029887.db2.gz WGFFZCRIZBJULZ-NSHDSACASA-N 1 0 357.366 2.785 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)c1 ZINC000287037620 257068404 /nfs/dbraw/zinc/06/84/04/257068404.db2.gz ISQUOLMQKSSYEW-JKSUJKDBSA-N 1 0 361.442 2.757 20 5 FFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC000287100488 257071772 /nfs/dbraw/zinc/07/17/72/257071772.db2.gz QBCPYFVYANGLRV-ZIAGYGMSSA-N 1 0 372.512 2.880 20 5 FFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC000287100480 257071942 /nfs/dbraw/zinc/07/19/42/257071942.db2.gz QBCPYFVYANGLRV-KGLIPLIRSA-N 1 0 372.512 2.880 20 5 FFBDRO O=c1[nH]c(N2CCC[N@@H+](C3CCCC3)CC2)nc2ccc([N+](=O)[O-])cc21 ZINC000287506776 257093019 /nfs/dbraw/zinc/09/30/19/257093019.db2.gz ZCFUEOZAMGZKBM-UHFFFAOYSA-N 1 0 357.414 2.698 20 5 FFBDRO CC(=O)c1cc(N2CCCN(Cc3cscn3)CC2)ccc1[N+](=O)[O-] ZINC000287993166 257136955 /nfs/dbraw/zinc/13/69/55/257136955.db2.gz RUDNKKFEPSLYMZ-UHFFFAOYSA-N 1 0 360.439 2.966 20 5 FFBDRO O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000289288650 257271733 /nfs/dbraw/zinc/27/17/33/257271733.db2.gz QVVIESDLDZHNSK-SFHVURJKSA-N 1 0 372.450 2.934 20 5 FFBDRO COc1cc(C[N@H+](C)[C@H](C)CO)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000289379033 257277701 /nfs/dbraw/zinc/27/77/01/257277701.db2.gz CDAFRQKZCITAFZ-CQSZACIVSA-N 1 0 360.410 2.995 20 5 FFBDRO COc1ccc(C[C@H](CO)C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])cc1O ZINC000289432346 257280908 /nfs/dbraw/zinc/28/09/08/257280908.db2.gz KVPPSDKVDYWQHR-NBUZRDOWSA-N 1 0 372.421 2.763 20 5 FFBDRO COc1cc(C[NH2+]C[C@]2(CO)C[C@@H]2c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000289785428 257299103 /nfs/dbraw/zinc/29/91/03/257299103.db2.gz JUWRLOVZRDFBOU-UZLBHIALSA-N 1 0 372.421 2.868 20 5 FFBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000290546215 257340394 /nfs/dbraw/zinc/34/03/94/257340394.db2.gz ORIGTMHQYFMPFY-BXUZGUMPSA-N 1 0 362.386 2.510 20 5 FFBDRO Cc1ccc(C(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000297183273 257798312 /nfs/dbraw/zinc/79/83/12/257798312.db2.gz LHAKADWFEHPMNI-SJORKVTESA-N 1 0 357.385 2.999 20 5 FFBDRO Cn1ccnc1C(=O)c1ccc(NCCC2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000301262228 258038288 /nfs/dbraw/zinc/03/82/88/258038288.db2.gz VGCSLPAKQDBAAN-UHFFFAOYSA-N 1 0 371.441 2.703 20 5 FFBDRO C[N@H+](CCCO)C1CCN(c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000301405508 258047955 /nfs/dbraw/zinc/04/79/55/258047955.db2.gz UHXAXXCVXJJYHP-UHFFFAOYSA-N 1 0 372.263 2.640 20 5 FFBDRO Cc1cc(N(C)CC(C)(C)S(C)(=O)=O)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302083312 258087377 /nfs/dbraw/zinc/08/73/77/258087377.db2.gz MLQQAQIFESIIKB-UHFFFAOYSA-N 1 0 351.428 2.711 20 5 FFBDRO COC(=O)c1cnc(N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000302754111 258109691 /nfs/dbraw/zinc/10/96/91/258109691.db2.gz IANAVANBXGVGQX-BBRMVZONSA-N 1 0 370.409 2.709 20 5 FFBDRO COC(=O)c1cnc(NC2CC[NH+](C3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000302773927 258110101 /nfs/dbraw/zinc/11/01/01/258110101.db2.gz NZNNCPJLVBLIJZ-UHFFFAOYSA-N 1 0 362.430 2.985 20 5 FFBDRO O=C1COc2cc([N+](=O)[O-])c(NC[C@@H](c3ccco3)[NH+]3CCCC3)cc2N1 ZINC000301618385 258059241 /nfs/dbraw/zinc/05/92/41/258059241.db2.gz WPVDFLQLIKVATH-HNNXBMFYSA-N 1 0 372.381 2.768 20 5 FFBDRO O=[N+]([O-])c1cnc2ccc(NC[C@H](c3ccccc3)[NH+]3CCCC3)nn21 ZINC000301871190 258072019 /nfs/dbraw/zinc/07/20/19/258072019.db2.gz CWKQDQRBFPQHDN-OAHLLOKOSA-N 1 0 352.398 2.887 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)cnc1NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000301871482 258072132 /nfs/dbraw/zinc/07/21/32/258072132.db2.gz KLDXLFRYXUQKOJ-GJZGRUSLSA-N 1 0 362.817 2.691 20 5 FFBDRO CS(=O)(=O)c1cccc(NC2CC[NH+](C3CCCC3)CC2)c1[N+](=O)[O-] ZINC000301882823 258072524 /nfs/dbraw/zinc/07/25/24/258072524.db2.gz KTQWGPGQEXRCSR-UHFFFAOYSA-N 1 0 367.471 2.817 20 5 FFBDRO Cc1cc(N2CC[C@@H](C[NH+]3CCOCC3)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000301988383 258080192 /nfs/dbraw/zinc/08/01/92/258080192.db2.gz DUBCQXHLWJLISL-HNNXBMFYSA-N 1 0 356.426 2.610 20 5 FFBDRO CCCc1n[nH]c(C(=O)N2CC[NH+](CC3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000330665764 258167771 /nfs/dbraw/zinc/16/77/71/258167771.db2.gz AETVVFHLPKEPHC-UHFFFAOYSA-N 1 0 363.462 2.609 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC000330703742 258168810 /nfs/dbraw/zinc/16/88/10/258168810.db2.gz JIRFKMQMQMCWJK-WBVHZDCISA-N 1 0 363.458 2.961 20 5 FFBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000332295279 258223795 /nfs/dbraw/zinc/22/37/95/258223795.db2.gz LYSFUHOOKXORCL-QWHCGFSZSA-N 1 0 369.368 2.753 20 5 FFBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCC1([NH+](C)C)CCC1 ZINC000332434124 258230277 /nfs/dbraw/zinc/23/02/77/258230277.db2.gz BSUKUDXLRLBLTB-UHFFFAOYSA-N 1 0 370.247 2.880 20 5 FFBDRO C[C@@H]1C[C@H](NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC[N@@H+]1C ZINC000332608923 258237152 /nfs/dbraw/zinc/23/71/52/258237152.db2.gz BEIAPZKVXFXAJR-DGCLKSJQSA-N 1 0 360.439 2.931 20 5 FFBDRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000107682978 222399372 /nfs/dbraw/zinc/39/93/72/222399372.db2.gz FXYIPIMCLATWCP-HOTGVXAUSA-N 1 0 362.474 2.881 20 5 FFBDRO CCOC(=O)c1cc(C(=O)NCC[NH+](C(C)C)C(C)C)cc([N+](=O)[O-])c1 ZINC000032244189 506235442 /nfs/dbraw/zinc/23/54/42/506235442.db2.gz LRRYVVRYJPTVER-UHFFFAOYSA-N 1 0 365.430 2.620 20 5 FFBDRO C[C@@H](CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)[N@@H+]1CCCC[C@@H]1C ZINC000032254695 506237736 /nfs/dbraw/zinc/23/77/36/506237736.db2.gz ONRVRCBUKKZGNW-GJZGRUSLSA-N 1 0 371.441 2.773 20 5 FFBDRO C[C@@H](CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)[N@@H+]1CCCC[C@H]1C ZINC000032254693 506238623 /nfs/dbraw/zinc/23/86/23/506238623.db2.gz ONRVRCBUKKZGNW-CABCVRRESA-N 1 0 371.441 2.773 20 5 FFBDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000065142455 506263729 /nfs/dbraw/zinc/26/37/29/506263729.db2.gz RMFSSKJEIRHARO-GASCZTMLSA-N 1 0 363.458 2.846 20 5 FFBDRO C[NH+](C)[C@@H](CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)c1cccc(F)c1 ZINC000032731272 506286232 /nfs/dbraw/zinc/28/62/32/506286232.db2.gz YXGDPCIZDZWYDX-INIZCTEOSA-N 1 0 371.372 2.643 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H](c2nccn2C)C1 ZINC000373100475 512171526 /nfs/dbraw/zinc/17/15/26/512171526.db2.gz RYONZTFONJYHKN-OAHLLOKOSA-N 1 0 371.441 2.845 20 5 FFBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)Cn2ccc([N+](=O)[O-])n2)cc1 ZINC000053722100 506435460 /nfs/dbraw/zinc/43/54/60/506435460.db2.gz PCBBQPUOAXAQPO-CQSZACIVSA-N 1 0 357.414 2.804 20 5 FFBDRO CNc1ccc(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)cc1[N+](=O)[O-] ZINC000053992024 506472161 /nfs/dbraw/zinc/47/21/61/506472161.db2.gz WAEHLAYSHUQWJZ-UHFFFAOYSA-N 1 0 372.425 2.507 20 5 FFBDRO COCC[N@H+](C)CCCNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000041423107 506516295 /nfs/dbraw/zinc/51/62/95/506516295.db2.gz KLLKDYNJHCWRDM-UHFFFAOYSA-N 1 0 351.428 2.508 20 5 FFBDRO C[NH+](C)[C@@H](CNC(=O)CCNc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000041799170 506552537 /nfs/dbraw/zinc/55/25/37/506552537.db2.gz UGMGCCFYYAFTMZ-QGZVFWFLSA-N 1 0 370.453 2.686 20 5 FFBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000054646901 506594879 /nfs/dbraw/zinc/59/48/79/506594879.db2.gz QZSZKNZDBDYUJE-HZPDHXFCSA-N 1 0 362.474 2.805 20 5 FFBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000054646896 506595108 /nfs/dbraw/zinc/59/51/08/506595108.db2.gz QZSZKNZDBDYUJE-IYBDPMFKSA-N 1 0 362.474 2.805 20 5 FFBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000055401648 506742949 /nfs/dbraw/zinc/74/29/49/506742949.db2.gz JTCSABFOQZVDNW-UONOGXRCSA-N 1 0 351.472 2.924 20 5 FFBDRO C[NH+](C)[C@@H](CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])C1CCCCC1 ZINC000045802191 507023444 /nfs/dbraw/zinc/02/34/44/507023444.db2.gz ZFNYYEDYEICRHD-KRWDZBQOSA-N 1 0 369.487 2.921 20 5 FFBDRO COc1ccc(CC(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000067906448 507048307 /nfs/dbraw/zinc/04/83/07/507048307.db2.gz RZCYMDXVHXJTLQ-KRWDZBQOSA-N 1 0 363.458 2.773 20 5 FFBDRO COc1ccc(CC(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000067907169 507048575 /nfs/dbraw/zinc/04/85/75/507048575.db2.gz WHVQODRMZFQEAK-GASCZTMLSA-N 1 0 363.458 2.630 20 5 FFBDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000068084907 507104699 /nfs/dbraw/zinc/10/46/99/507104699.db2.gz UKZCCYDXNMMXHO-ZDUSSCGKSA-N 1 0 359.430 2.856 20 5 FFBDRO C[NH+](C)CCN(Cc1ccccc1)C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000068310898 507182350 /nfs/dbraw/zinc/18/23/50/507182350.db2.gz PUVCMYHCYOREOS-UHFFFAOYSA-N 1 0 371.437 2.954 20 5 FFBDRO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)Cn3cc([N+](=O)[O-])cn3)cc2)C1 ZINC000046934143 507225101 /nfs/dbraw/zinc/22/51/01/507225101.db2.gz SSBQBRYAJAYZAB-CQSZACIVSA-N 1 0 357.414 2.662 20 5 FFBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC[N@@H+](C(C)C)CC2)cc1OC ZINC000068782619 507321346 /nfs/dbraw/zinc/32/13/46/507321346.db2.gz CCIBRTHXFGDRHV-UHFFFAOYSA-N 1 0 365.430 2.558 20 5 FFBDRO CC[N@H+](C)[C@H](C(=O)NCCNc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000057830396 507338401 /nfs/dbraw/zinc/33/84/01/507338401.db2.gz IRQWEVKWFCUSEA-SFHVURJKSA-N 1 0 356.426 2.816 20 5 FFBDRO CC[NH+](CC)CC1CCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000057847153 507342286 /nfs/dbraw/zinc/34/22/86/507342286.db2.gz OAYNIFFAOZVGCW-HNNXBMFYSA-N 1 0 362.474 2.976 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCC(C)(C)[NH+]2CCCCC2)cc1C ZINC000060441905 507544766 /nfs/dbraw/zinc/54/47/66/507544766.db2.gz UUXZCSRPTCPZHT-UHFFFAOYSA-N 1 0 369.487 2.754 20 5 FFBDRO CNc1ccc(C(=O)N2CC[NH+](CC3CCCCC3)CC2)cc1[N+](=O)[O-] ZINC000050008836 507650573 /nfs/dbraw/zinc/65/05/73/507650573.db2.gz BEHYYTABYNTZRF-UHFFFAOYSA-N 1 0 360.458 2.975 20 5 FFBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000063711037 507762774 /nfs/dbraw/zinc/76/27/74/507762774.db2.gz SDJVLGONZLSQCL-HNNXBMFYSA-N 1 0 371.441 2.631 20 5 FFBDRO C[C@H](CNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000089619853 507850816 /nfs/dbraw/zinc/85/08/16/507850816.db2.gz VURWYEBTLSNWEX-CYBMUJFWSA-N 1 0 355.460 2.532 20 5 FFBDRO COc1cc(NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000089644763 507853263 /nfs/dbraw/zinc/85/32/63/507853263.db2.gz XBUAPUCIIBYBSQ-IAGOWNOFSA-N 1 0 357.410 2.651 20 5 FFBDRO CC[NH+](CC)C[C@H]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000072823381 507857937 /nfs/dbraw/zinc/85/79/37/507857937.db2.gz YVUSLKUEAFDHOR-CYBMUJFWSA-N 1 0 368.865 2.850 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)cc1SC ZINC000108305805 507885915 /nfs/dbraw/zinc/88/59/15/507885915.db2.gz NPVDBJPOUVGOTL-LBPRGKRZSA-N 1 0 365.455 2.539 20 5 FFBDRO O=[N+]([O-])c1cnn(CC[NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)c1 ZINC000090538366 507925951 /nfs/dbraw/zinc/92/59/51/507925951.db2.gz LMAAFCARJUWFLX-UHFFFAOYSA-N 1 0 363.849 2.699 20 5 FFBDRO C[C@H]([NH2+]C[C@@H]1C[C@H](O)CN1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000090914344 507939026 /nfs/dbraw/zinc/93/90/26/507939026.db2.gz PKRRSCKNVQNFPO-YSSFQJQWSA-N 1 0 355.438 2.881 20 5 FFBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000109317273 507954653 /nfs/dbraw/zinc/95/46/53/507954653.db2.gz BBIOBLOUEGCNLI-KRWDZBQOSA-N 1 0 360.389 2.808 20 5 FFBDRO Cc1c(C(=O)N(C)C2CC[NH+](C(C)C)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000073972316 507972184 /nfs/dbraw/zinc/97/21/84/507972184.db2.gz VJCMKJXTIVBVIN-UHFFFAOYSA-N 1 0 364.402 2.756 20 5 FFBDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000079803760 508002658 /nfs/dbraw/zinc/00/26/58/508002658.db2.gz LCFQDPHQPKFPIJ-JTQLQIEISA-N 1 0 358.236 2.817 20 5 FFBDRO CCCC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000110264326 508016813 /nfs/dbraw/zinc/01/68/13/508016813.db2.gz RTDSUUKWUZJMAZ-INIZCTEOSA-N 1 0 369.487 2.836 20 5 FFBDRO C[NH+](C)CCN(Cc1ccccc1)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000074764041 508053307 /nfs/dbraw/zinc/05/33/07/508053307.db2.gz NQJDJEUERVVANF-UHFFFAOYSA-N 1 0 370.453 2.911 20 5 FFBDRO C[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)[N@H+](C)Cc1ccccc1 ZINC000110966081 508061381 /nfs/dbraw/zinc/06/13/81/508061381.db2.gz OGUHNGQPNYKDSS-LBPRGKRZSA-N 1 0 360.389 2.566 20 5 FFBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000075108503 508083538 /nfs/dbraw/zinc/08/35/38/508083538.db2.gz YMEDEDXDBFPUOK-KRWDZBQOSA-N 1 0 360.458 2.701 20 5 FFBDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000075323728 508097391 /nfs/dbraw/zinc/09/73/91/508097391.db2.gz BIOGCIAWQDVYCU-MRXNPFEDSA-N 1 0 371.441 2.611 20 5 FFBDRO NC(=O)N1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000092754009 508099758 /nfs/dbraw/zinc/09/97/58/508099758.db2.gz QRGHJNISGGEFHE-UHFFFAOYSA-N 1 0 360.439 2.910 20 5 FFBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000075630669 508122957 /nfs/dbraw/zinc/12/29/57/508122957.db2.gz NOJIAVCPTITXBN-SFHVURJKSA-N 1 0 371.441 2.525 20 5 FFBDRO CCCC[N@@H+](Cc1ccccc1F)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075674750 508126997 /nfs/dbraw/zinc/12/69/97/508126997.db2.gz XJVXNWDWHVTEAQ-INIZCTEOSA-N 1 0 350.394 2.594 20 5 FFBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)C1 ZINC000081363249 508167958 /nfs/dbraw/zinc/16/79/58/508167958.db2.gz CNWSKBVYIMHNOD-ZDUSSCGKSA-N 1 0 364.402 2.615 20 5 FFBDRO CC(C)OCC[NH+]1CCC(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000081995982 508224360 /nfs/dbraw/zinc/22/43/60/508224360.db2.gz DXPHLJLVRCPQBG-UHFFFAOYSA-N 1 0 369.849 2.867 20 5 FFBDRO O=[N+]([O-])c1ccccc1OCC[NH+]1CCC(OC[C@@H]2CCCO2)CC1 ZINC000083414281 508245397 /nfs/dbraw/zinc/24/53/97/508245397.db2.gz GGANQNSPJOEABH-INIZCTEOSA-N 1 0 350.415 2.634 20 5 FFBDRO COc1cc(C[NH2+]CCc2nc3c(cccc3F)n2C)c([N+](=O)[O-])cc1O ZINC000113358821 508262263 /nfs/dbraw/zinc/26/22/63/508262263.db2.gz MPIJKYAWNUVNGK-UHFFFAOYSA-N 1 0 374.372 2.667 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000077178362 508283945 /nfs/dbraw/zinc/28/39/45/508283945.db2.gz SFIHMCLGUZGYSV-CQSZACIVSA-N 1 0 362.430 2.526 20 5 FFBDRO NC(=O)c1ccc(C[N@H+](CCCO)[C@H]2CCc3ccccc32)c([N+](=O)[O-])c1 ZINC000114193971 508298970 /nfs/dbraw/zinc/29/89/70/508298970.db2.gz NTFBAXYEUBAMTJ-SFHVURJKSA-N 1 0 369.421 2.566 20 5 FFBDRO Cn1cc(C[NH2+]CCCOC[C@@H]2CCOC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000077447508 508316781 /nfs/dbraw/zinc/31/67/81/508316781.db2.gz MDTOILPITIWUSJ-HNNXBMFYSA-N 1 0 374.441 2.528 20 5 FFBDRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000103555389 508317720 /nfs/dbraw/zinc/31/77/20/508317720.db2.gz XJGWKPHVEDEZFK-HOTGVXAUSA-N 1 0 364.465 2.724 20 5 FFBDRO COc1ccc(NC(=O)CC[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000088607656 508378668 /nfs/dbraw/zinc/37/86/68/508378668.db2.gz DBVIZJHRYANUJO-UHFFFAOYSA-N 1 0 355.394 2.990 20 5 FFBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2cc(F)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000115270098 508379837 /nfs/dbraw/zinc/37/98/37/508379837.db2.gz TYBFDUPMYZJKEF-CZUORRHYSA-N 1 0 367.421 2.601 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(N2CC[NH+](CCCOCC(F)(F)F)CC2)c1 ZINC000088703211 508381787 /nfs/dbraw/zinc/38/17/87/508381787.db2.gz DLZCFJFJUZQWAG-UHFFFAOYSA-N 1 0 361.364 2.994 20 5 FFBDRO C[NH+](C)Cc1cc(CNC(=O)CNc2ccccc2[N+](=O)[O-])ccc1F ZINC000115416913 508392499 /nfs/dbraw/zinc/39/24/99/508392499.db2.gz AGMRDUTUVJIFFZ-UHFFFAOYSA-N 1 0 360.389 2.524 20 5 FFBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000115520755 508405093 /nfs/dbraw/zinc/40/50/93/508405093.db2.gz AEYUVCPTELKDAP-UHFFFAOYSA-N 1 0 360.458 2.655 20 5 FFBDRO CCCN(CC[NH+](CC)CC)S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000127158076 508407416 /nfs/dbraw/zinc/40/74/16/508407416.db2.gz BNMBXDMZJXPGAN-UHFFFAOYSA-N 1 0 363.505 2.707 20 5 FFBDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000156388160 508412625 /nfs/dbraw/zinc/41/26/25/508412625.db2.gz BFMKIDBNXZOSRQ-QGZVFWFLSA-N 1 0 369.487 2.525 20 5 FFBDRO C[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1n1ccnc1 ZINC000156477400 508426288 /nfs/dbraw/zinc/42/62/88/508426288.db2.gz OQFHSYQTYHQBBW-PBHICJAKSA-N 1 0 357.414 2.703 20 5 FFBDRO C[NH+](C)Cc1cc(CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)ccc1F ZINC000115807728 508439714 /nfs/dbraw/zinc/43/97/14/508439714.db2.gz JLSWCFHJFLMZRQ-UHFFFAOYSA-N 1 0 374.416 2.837 20 5 FFBDRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000133774689 508447007 /nfs/dbraw/zinc/44/70/07/508447007.db2.gz RKNZWISIAGOVIL-ZDUSSCGKSA-N 1 0 370.837 2.823 20 5 FFBDRO Cc1c(NC(=O)CC[N@@H+]2CCc3ccccc3[C@@H]2CO)cccc1[N+](=O)[O-] ZINC000133846143 508458060 /nfs/dbraw/zinc/45/80/60/508458060.db2.gz NLXNNHQJMYFSJJ-IBGZPJMESA-N 1 0 369.421 2.824 20 5 FFBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000127504021 508460373 /nfs/dbraw/zinc/46/03/73/508460373.db2.gz QAFAZFPZVADICZ-INIZCTEOSA-N 1 0 360.458 2.731 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N(CC[NH+](C)C)C(C)C)cc1SC ZINC000156763862 508473676 /nfs/dbraw/zinc/47/36/76/508473676.db2.gz HNJCYKHVVAULRY-UHFFFAOYSA-N 1 0 355.460 2.738 20 5 FFBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000122241282 508505092 /nfs/dbraw/zinc/50/50/92/508505092.db2.gz XOKSNPBBGXBYMT-UHFFFAOYSA-N 1 0 371.441 2.634 20 5 FFBDRO C[C@@H](N[C@H](CC[NH+](C)C)C(C)(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000116395857 508506056 /nfs/dbraw/zinc/50/60/56/508506056.db2.gz IQPWOBUXDHCCFB-CZUORRHYSA-N 1 0 350.463 2.878 20 5 FFBDRO C[C@@H](N[C@H](CC[NH+](C)C)C(C)(C)C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000116396643 508506761 /nfs/dbraw/zinc/50/67/61/508506761.db2.gz GNYSRCXXHFZIAQ-CZUORRHYSA-N 1 0 350.463 2.878 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)Cn1cc(Br)cn1 ZINC000122423363 508532951 /nfs/dbraw/zinc/53/29/51/508532951.db2.gz PUBBDUFDMDJQQM-SNVBAGLBSA-N 1 0 369.219 2.741 20 5 FFBDRO Cc1cc(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)cc([N+](=O)[O-])c1 ZINC000122496495 508544327 /nfs/dbraw/zinc/54/43/27/508544327.db2.gz BLEZWJLNKGGFBW-UHFFFAOYSA-N 1 0 354.410 2.693 20 5 FFBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000122861323 508597574 /nfs/dbraw/zinc/59/75/74/508597574.db2.gz JUCQJPLVUUECLW-LLVKDONJSA-N 1 0 370.247 2.771 20 5 FFBDRO C[C@H](Nc1ccc(C(=O)N2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000157749339 508606356 /nfs/dbraw/zinc/60/63/56/508606356.db2.gz DZUCBMLNUIDKCH-ZFWWWQNUSA-N 1 0 369.425 2.726 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000123123450 508640256 /nfs/dbraw/zinc/64/02/56/508640256.db2.gz IYNXIMPZPSPZHJ-UHFFFAOYSA-N 1 0 350.419 2.847 20 5 FFBDRO CCC[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)CC[N@@H+]1CCOC ZINC000153866350 508666091 /nfs/dbraw/zinc/66/60/91/508666091.db2.gz HZGJZYCLIZDYPQ-INIZCTEOSA-N 1 0 364.446 2.868 20 5 FFBDRO CC[NH2+]Cc1cccc(NC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c1 ZINC000123327559 508669241 /nfs/dbraw/zinc/66/92/41/508669241.db2.gz DWIOURSATVGWSJ-UHFFFAOYSA-N 1 0 371.393 2.657 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000154100015 508717314 /nfs/dbraw/zinc/71/73/14/508717314.db2.gz PMKRVMUJCUCJMA-CXAGYDPISA-N 1 0 359.426 2.692 20 5 FFBDRO C[NH+](C)C[C@H]1CCCCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000119193046 508745703 /nfs/dbraw/zinc/74/57/03/508745703.db2.gz NOWLOSKVJCJTPG-CYBMUJFWSA-N 1 0 370.247 2.914 20 5 FFBDRO C[C@@H]1C[C@@H](NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC000123897850 508754694 /nfs/dbraw/zinc/75/46/94/508754694.db2.gz WUGIBFBYAQTXEI-BXKDBHETSA-N 1 0 368.231 2.712 20 5 FFBDRO C[NH+](C)CCn1ccc(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)n1 ZINC000137539685 508759611 /nfs/dbraw/zinc/75/96/11/508759611.db2.gz IKUCMBLBVNOETL-UHFFFAOYSA-N 1 0 372.429 2.549 20 5 FFBDRO C[C@H]1C[C@@H](N(C)CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000123943476 508760846 /nfs/dbraw/zinc/76/08/46/508760846.db2.gz WMKQORYTWWGCSF-AAEUAGOBSA-N 1 0 354.838 2.601 20 5 FFBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3N3CCCC3)CC[C@@H]21 ZINC000154394321 508775542 /nfs/dbraw/zinc/77/55/42/508775542.db2.gz FGSCAKJDNZSOCI-YJBOKZPZSA-N 1 0 372.469 2.751 20 5 FFBDRO C[C@@H](CNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000124119190 508785415 /nfs/dbraw/zinc/78/54/15/508785415.db2.gz CKCFWNCEUNXKAI-CABCVRRESA-N 1 0 360.458 2.783 20 5 FFBDRO C[C@H]1C[C@@H](N(C)C(=O)c2ccc(Br)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000124188579 508794685 /nfs/dbraw/zinc/79/46/85/508794685.db2.gz HEOHYKIAKFFWAO-JQWIXIFHSA-N 1 0 370.247 2.912 20 5 FFBDRO Cc1c(NC(=O)[C@@H](C)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cccc1[N+](=O)[O-] ZINC000139914239 508796864 /nfs/dbraw/zinc/79/68/64/508796864.db2.gz FFFILKRZSWGHFJ-IIDMSEBBSA-N 1 0 360.458 2.646 20 5 FFBDRO C[C@H](CNC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)C[NH+]1CCCC1 ZINC000119509351 508809987 /nfs/dbraw/zinc/80/99/87/508809987.db2.gz NTCCSBSPMMNBRJ-MRXNPFEDSA-N 1 0 362.474 2.949 20 5 FFBDRO C[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1Cc2ccccc2C1 ZINC000141171901 508813170 /nfs/dbraw/zinc/81/31/70/508813170.db2.gz OUDWCQLTHBXJQS-UHFFFAOYSA-N 1 0 351.406 2.583 20 5 FFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)CCCn1ccnc1 ZINC000124382915 508823806 /nfs/dbraw/zinc/82/38/06/508823806.db2.gz TVZPMYLCKUCDQK-GFCCVEGCSA-N 1 0 365.821 2.794 20 5 FFBDRO COc1ccc(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000119619828 508830493 /nfs/dbraw/zinc/83/04/93/508830493.db2.gz SXODRSZEHVVRLM-PBHICJAKSA-N 1 0 369.421 2.854 20 5 FFBDRO CC1CCN(c2ccc(C(=O)NC[C@H]3CCCC[NH2+]3)cc2[N+](=O)[O-])CC1 ZINC000130758376 508841863 /nfs/dbraw/zinc/84/18/63/508841863.db2.gz BIGJHZFSAKCZKG-MRXNPFEDSA-N 1 0 360.458 2.703 20 5 FFBDRO O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159519676 508851986 /nfs/dbraw/zinc/85/19/86/508851986.db2.gz MBFPSRIBVYJDQS-IYBDPMFKSA-N 1 0 361.445 2.508 20 5 FFBDRO C[NH+](C)CCn1c2cc(NCc3ccccc3[N+](=O)[O-])ccc2oc1=O ZINC000124616328 508859327 /nfs/dbraw/zinc/85/93/27/508859327.db2.gz JMWMIMRBNBNLBC-UHFFFAOYSA-N 1 0 356.382 2.676 20 5 FFBDRO CCC[C@@H]1CN(C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC[N@@H+]1CCOC ZINC000154872153 508873491 /nfs/dbraw/zinc/87/34/91/508873491.db2.gz WKZRNDVCTWQWPT-MRXNPFEDSA-N 1 0 364.446 2.868 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](OCC(C)C)C1 ZINC000120054128 508918011 /nfs/dbraw/zinc/91/80/11/508918011.db2.gz AHOOFBDXDJXUKM-HNNXBMFYSA-N 1 0 365.430 2.679 20 5 FFBDRO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000131405507 508927453 /nfs/dbraw/zinc/92/74/53/508927453.db2.gz RVIYSRHEMZPQIZ-ZDUSSCGKSA-N 1 0 357.414 2.562 20 5 FFBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000125574128 509001230 /nfs/dbraw/zinc/00/12/30/509001230.db2.gz IASBJYOYKRJEOA-QAPCUYQASA-N 1 0 358.442 2.753 20 5 FFBDRO CN(C)c1ccc([N+](=O)[O-])c(OC[C@@H](O)C[N@H+](C)Cc2ccccc2)c1 ZINC000155536315 509021564 /nfs/dbraw/zinc/02/15/64/509021564.db2.gz YXWBKGMHMVBVIS-KRWDZBQOSA-N 1 0 359.426 2.533 20 5 FFBDRO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000155554343 509025362 /nfs/dbraw/zinc/02/53/62/509025362.db2.gz YPBMZGXFZJVRFX-TXEJJXNPSA-N 1 0 355.822 2.568 20 5 FFBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000125843218 509036099 /nfs/dbraw/zinc/03/60/99/509036099.db2.gz RJBXXRSHKJVDQL-OAHLLOKOSA-N 1 0 360.458 2.783 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000120918982 509089232 /nfs/dbraw/zinc/08/92/32/509089232.db2.gz HBMUIVKYJVSING-HIFRSBDPSA-N 1 0 369.487 2.562 20 5 FFBDRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000126672728 509111229 /nfs/dbraw/zinc/11/12/29/509111229.db2.gz JMAQVGOSVLKZEB-GFCCVEGCSA-N 1 0 372.450 2.932 20 5 FFBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000126685223 509113989 /nfs/dbraw/zinc/11/39/89/509113989.db2.gz AJVKVTYPWSTOOQ-CQSZACIVSA-N 1 0 358.442 2.713 20 5 FFBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000121063589 509120727 /nfs/dbraw/zinc/12/07/27/509120727.db2.gz HLKBCJFEBOYTGU-HZMBPMFUSA-N 1 0 370.247 2.770 20 5 FFBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000126741086 509120825 /nfs/dbraw/zinc/12/08/25/509120825.db2.gz WKSZFBPPBYIQKQ-KDOFPFPSSA-N 1 0 372.469 2.750 20 5 FFBDRO CCOC(=O)c1ccnc(NC2CC[NH+](C(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000133407860 509156287 /nfs/dbraw/zinc/15/62/87/509156287.db2.gz IRNYCSZKBQRIIZ-UHFFFAOYSA-N 1 0 350.419 2.841 20 5 FFBDRO CC[NH+](CC)CCn1ccc2cc(NC(=O)c3n[nH]cc3[N+](=O)[O-])ccc21 ZINC000127004903 509157652 /nfs/dbraw/zinc/15/76/52/509157652.db2.gz MSUJNLXCRZDRLV-UHFFFAOYSA-N 1 0 370.413 2.867 20 5 FFBDRO CCCC[NH+]1CCC(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC1 ZINC000121518581 509177424 /nfs/dbraw/zinc/17/74/24/509177424.db2.gz FTRNCTRDVXKNSI-UHFFFAOYSA-N 1 0 371.441 2.775 20 5 FFBDRO COc1ccc(NC(=O)CC[N@H+](C)CCc2ccncc2)c([N+](=O)[O-])c1 ZINC000121564724 509178592 /nfs/dbraw/zinc/17/85/92/509178592.db2.gz ACLDIKFTNGKQCI-UHFFFAOYSA-N 1 0 358.398 2.502 20 5 FFBDRO COc1ccc(C[NH2+][C@@H]2CCN(Cc3ccc(C)cc3)C2=O)cc1[N+](=O)[O-] ZINC000191811645 509194096 /nfs/dbraw/zinc/19/40/96/509194096.db2.gz FEXBAFDZVZXCHC-QGZVFWFLSA-N 1 0 369.421 2.803 20 5 FFBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000182378936 509202807 /nfs/dbraw/zinc/20/28/07/509202807.db2.gz UDQOIRWJLIDZDC-GFCCVEGCSA-N 1 0 371.384 2.904 20 5 FFBDRO O=C(CC[NH+]1CCC(O)(c2ccccc2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000185518272 509218100 /nfs/dbraw/zinc/21/81/00/509218100.db2.gz SMOLKDCGRQGJIY-UHFFFAOYSA-N 1 0 369.421 2.907 20 5 FFBDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000182404307 509221138 /nfs/dbraw/zinc/22/11/38/509221138.db2.gz IAWHHPPPVDGFGJ-IUODEOHRSA-N 1 0 361.354 2.594 20 5 FFBDRO CCC[C@H]1CN(c2cc(OC)c(F)cc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000162489961 509235431 /nfs/dbraw/zinc/23/54/31/509235431.db2.gz OXYKRDJEGJBOGJ-ZDUSSCGKSA-N 1 0 355.410 2.680 20 5 FFBDRO CCC[C@@H]1CN(c2cc(OC)c(F)cc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000162489859 509235633 /nfs/dbraw/zinc/23/56/33/509235633.db2.gz OXYKRDJEGJBOGJ-CYBMUJFWSA-N 1 0 355.410 2.680 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H]1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000248122460 509239524 /nfs/dbraw/zinc/23/95/24/509239524.db2.gz FWXBQMVUJQFKKJ-RLFYNMQTSA-N 1 0 363.458 2.677 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000162512034 509240360 /nfs/dbraw/zinc/24/03/60/509240360.db2.gz PSPGYMGDXUOPCU-UHFFFAOYSA-N 1 0 364.446 2.914 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CCc1c[nH]c2ccccc12 ZINC000213841564 509241650 /nfs/dbraw/zinc/24/16/50/509241650.db2.gz GSHUXYLZKZQTJT-HNNXBMFYSA-N 1 0 355.394 2.648 20 5 FFBDRO C[N@@H+]1CC[C@@H](NC(=O)NCc2ccccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000179111162 509269624 /nfs/dbraw/zinc/26/96/24/509269624.db2.gz GEVKTJXBAXACDR-AEFFLSMTSA-N 1 0 354.410 2.839 20 5 FFBDRO C[NH2+]C1CCN(C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000179138315 509281136 /nfs/dbraw/zinc/28/11/36/509281136.db2.gz MURGRWAWXZFAGE-UHFFFAOYSA-N 1 0 374.363 2.626 20 5 FFBDRO COc1ccc([C@@H]2CC[N@H+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])C2)cc1 ZINC000248444401 509324129 /nfs/dbraw/zinc/32/41/29/509324129.db2.gz FXGFONYBAOFZBN-IAGOWNOFSA-N 1 0 372.421 2.833 20 5 FFBDRO COc1cccc([C@@H](CNC(=O)c2cc(C)ccc2[N+](=O)[O-])[NH+](C)C)c1 ZINC000172981553 509335604 /nfs/dbraw/zinc/33/56/04/509335604.db2.gz CAOXZJNNSBGOIV-GOSISDBHSA-N 1 0 357.410 2.945 20 5 FFBDRO C[C@H](CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000182620523 509336293 /nfs/dbraw/zinc/33/62/93/509336293.db2.gz XTLCNVATAJGISJ-SNVBAGLBSA-N 1 0 357.863 2.939 20 5 FFBDRO O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)c1csc([N+](=O)[O-])c1 ZINC000189011705 509367292 /nfs/dbraw/zinc/36/72/92/509367292.db2.gz NPLKBNHJUGEWPL-BXUZGUMPSA-N 1 0 367.377 2.810 20 5 FFBDRO CCc1ccc(C(=O)N2CCC(OCCC[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000267263754 509417129 /nfs/dbraw/zinc/41/71/29/509417129.db2.gz ORCHYNHGYUWNHR-UHFFFAOYSA-N 1 0 363.458 2.730 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N3CCC[C@H](C[NH3+])C3)cc2[N+](=O)[O-])CC1 ZINC000236668782 509476187 /nfs/dbraw/zinc/47/61/87/509476187.db2.gz BBDBZDFRUYMJRT-OAHLLOKOSA-N 1 0 360.458 2.642 20 5 FFBDRO CC[NH+](CC)CCSCC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000186020564 509483706 /nfs/dbraw/zinc/48/37/06/509483706.db2.gz LUCYDJWLLBAIMW-UHFFFAOYSA-N 1 0 359.879 2.939 20 5 FFBDRO C[C@@H]([NH2+]Cc1cccc(C(=O)N2CCOCC2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000267456767 509495140 /nfs/dbraw/zinc/49/51/40/509495140.db2.gz TYNOJIJLXBTBEM-OAHLLOKOSA-N 1 0 369.421 2.918 20 5 FFBDRO COc1cccc(CN(CC[NH+](C)C)C(=O)Nc2ccncc2[N+](=O)[O-])c1 ZINC000192386321 509497466 /nfs/dbraw/zinc/49/74/66/509497466.db2.gz IXJOKVLRPYNVLZ-UHFFFAOYSA-N 1 0 373.413 2.594 20 5 FFBDRO CCC[NH+]1CCC(NCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000236794180 509505437 /nfs/dbraw/zinc/50/54/37/509505437.db2.gz KDNJXPBUSDXMBQ-UHFFFAOYSA-N 1 0 357.458 2.959 20 5 FFBDRO CCCN(C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000236849209 509517189 /nfs/dbraw/zinc/51/71/89/509517189.db2.gz HQIAYONQJOHRDG-UHFFFAOYSA-N 1 0 360.458 2.799 20 5 FFBDRO C[C@@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183014993 509549225 /nfs/dbraw/zinc/54/92/25/509549225.db2.gz LQRMGJATSBQXRF-ZIAGYGMSSA-N 1 0 367.471 2.526 20 5 FFBDRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000165875573 509587400 /nfs/dbraw/zinc/58/74/00/509587400.db2.gz DKAHWPVRELUNFG-ZANVPECISA-N 1 0 356.220 2.699 20 5 FFBDRO [NH3+]CCC1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000165918910 509588726 /nfs/dbraw/zinc/58/87/26/509588726.db2.gz IVFYAFMKWKFTPS-UHFFFAOYSA-N 1 0 356.220 2.558 20 5 FFBDRO C[NH2+]C[C@H](C)CNC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000237187673 509589892 /nfs/dbraw/zinc/58/98/92/509589892.db2.gz SKDFBBQWSMUXBS-UONOGXRCSA-N 1 0 371.441 2.748 20 5 FFBDRO Cn1cc(N2CCC[C@@H]([NH2+][C@@H](Cc3ccccc3[N+](=O)[O-])C3CC3)C2)cn1 ZINC000166468460 509608680 /nfs/dbraw/zinc/60/86/80/509608680.db2.gz PIKBXZKUTJYAPY-MJGOQNOKSA-N 1 0 369.469 2.908 20 5 FFBDRO CC[NH+](CC)CCC[C@@H](C)Nc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000189561892 509638056 /nfs/dbraw/zinc/63/80/56/509638056.db2.gz HAUYYAAUTNPNIG-CYBMUJFWSA-N 1 0 357.476 2.921 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC1([NH3+])CCCCC1 ZINC000237477647 509657008 /nfs/dbraw/zinc/65/70/08/509657008.db2.gz VYMITROPXMXILM-LLVKDONJSA-N 1 0 355.822 2.793 20 5 FFBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N[C@@H]3CCC[NH2+]C3)cc2[N+](=O)[O-])C1 ZINC000237478663 509657791 /nfs/dbraw/zinc/65/77/91/509657791.db2.gz DXYJCTMYEUZGQO-IIAWOOMASA-N 1 0 360.458 2.559 20 5 FFBDRO COc1cccc(F)c1[C@@H](C)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000179915576 509672970 /nfs/dbraw/zinc/67/29/70/509672970.db2.gz PONJBHOWHJNSNE-OCCSQVGLSA-N 1 0 364.373 2.833 20 5 FFBDRO C[C@@H]1CC[C@@](CO)([N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000189657698 509687628 /nfs/dbraw/zinc/68/76/28/509687628.db2.gz ABYNXKHOKKJAJM-SJKOYZFVSA-N 1 0 353.394 2.545 20 5 FFBDRO COc1cccc([C@@H](CNC(=O)c2c(C)cccc2[N+](=O)[O-])[NH+](C)C)c1 ZINC000192913399 509695859 /nfs/dbraw/zinc/69/58/59/509695859.db2.gz RKJAQSBHJZBSKZ-QGZVFWFLSA-N 1 0 357.410 2.945 20 5 FFBDRO Cc1csc(Sc2ccc(C(=O)N3CC[C@@H]([NH3+])C3)cc2[N+](=O)[O-])n1 ZINC000237648744 509700941 /nfs/dbraw/zinc/70/09/41/509700941.db2.gz SFNLTYWPAOOKLB-LLVKDONJSA-N 1 0 364.452 2.684 20 5 FFBDRO CC[C@@H]1CN(C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)CC[N@@H+]1C[C@H](C)O ZINC000249575450 509716119 /nfs/dbraw/zinc/71/61/19/509716119.db2.gz ACMBOHICQJGXAA-GOEBONIOSA-N 1 0 363.458 2.635 20 5 FFBDRO Cc1n[nH]c(C(=O)NCc2ccccc2C[NH+]2CCCCCC2)c1[N+](=O)[O-] ZINC000264847955 509737930 /nfs/dbraw/zinc/73/79/30/509737930.db2.gz GPZLGACKSYJNLB-UHFFFAOYSA-N 1 0 371.441 2.932 20 5 FFBDRO CCOC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C(C)C ZINC000189799285 509757864 /nfs/dbraw/zinc/75/78/64/509757864.db2.gz NOBWNJWVSRMKNM-SWLSCSKDSA-N 1 0 353.419 2.581 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000180159413 509785101 /nfs/dbraw/zinc/78/51/01/509785101.db2.gz GSUYHCFTRNZADW-AEFFLSMTSA-N 1 0 355.394 2.779 20 5 FFBDRO CC(C)C[NH+]1CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000170874306 509825140 /nfs/dbraw/zinc/82/51/40/509825140.db2.gz YFHQKMVEMVVFNZ-UHFFFAOYSA-N 1 0 357.458 2.769 20 5 FFBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000268231961 509827340 /nfs/dbraw/zinc/82/73/40/509827340.db2.gz SIUUPBGPXHSAJX-RNCFNFMXSA-N 1 0 368.231 2.570 20 5 FFBDRO CC[C@@H]1CN(C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)CC[N@@H+]1C[C@@H](C)O ZINC000189936618 509839397 /nfs/dbraw/zinc/83/93/97/509839397.db2.gz ACMBOHICQJGXAA-GDBMZVCRSA-N 1 0 363.458 2.635 20 5 FFBDRO CC(C)[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Cl)cc1F ZINC000180267163 509840648 /nfs/dbraw/zinc/84/06/48/509840648.db2.gz KTDNHMZEHXPZND-BBRMVZONSA-N 1 0 370.812 2.932 20 5 FFBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[NH+](C2CCC2)CC1 ZINC000265150845 509890879 /nfs/dbraw/zinc/89/08/79/509890879.db2.gz SOMQBGNZCZDPJT-LBPRGKRZSA-N 1 0 366.849 2.745 20 5 FFBDRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)Nc1ccncc1[N+](=O)[O-] ZINC000183639321 509899824 /nfs/dbraw/zinc/89/98/24/509899824.db2.gz KKZAPYGVZVJWNS-HNNXBMFYSA-N 1 0 359.386 2.932 20 5 FFBDRO Cc1nnc([C@@H]2CCC[N@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3C)C2)[nH]1 ZINC000268416315 509916925 /nfs/dbraw/zinc/91/69/25/509916925.db2.gz BSRVRBXASVRRLZ-CQSZACIVSA-N 1 0 372.429 2.538 20 5 FFBDRO COc1ccccc1COC[C@H](O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180443945 509927933 /nfs/dbraw/zinc/92/79/33/509927933.db2.gz BYEORHPZPONILD-KBXCAEBGSA-N 1 0 360.410 2.832 20 5 FFBDRO Cn1cc(C[N@@H+]2CCS[C@@H]3COCC[C@@H]32)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000180452261 509931855 /nfs/dbraw/zinc/93/18/55/509931855.db2.gz IPCRNUDDRXXLIL-DLBZAZTESA-N 1 0 374.466 2.702 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@@H](C)C1 ZINC000245438036 509932926 /nfs/dbraw/zinc/93/29/26/509932926.db2.gz RYRGAODWMDIWLJ-BBRMVZONSA-N 1 0 359.430 2.807 20 5 FFBDRO CCC(CC)(CC(=O)OC)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000268446905 509936393 /nfs/dbraw/zinc/93/63/93/509936393.db2.gz HLXYPUJXEPUBAA-UHFFFAOYSA-N 1 0 351.403 2.553 20 5 FFBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245457169 509946827 /nfs/dbraw/zinc/94/68/27/509946827.db2.gz UFFSUUAYJLZACM-HOTGVXAUSA-N 1 0 360.458 2.730 20 5 FFBDRO Cc1ccnc(NCc2ccc(C[NH+]3CCC(O)CC3)cc2)c1[N+](=O)[O-] ZINC000265255056 509949310 /nfs/dbraw/zinc/94/93/10/509949310.db2.gz RNYHEHWFKRLVES-UHFFFAOYSA-N 1 0 356.426 2.867 20 5 FFBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000177279605 509975761 /nfs/dbraw/zinc/97/57/61/509975761.db2.gz IAEYUEQUJBXOGC-LBPRGKRZSA-N 1 0 370.247 2.962 20 5 FFBDRO C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)[C@@H](C[NH3+])C1 ZINC000261648897 510013538 /nfs/dbraw/zinc/01/35/38/510013538.db2.gz BERBLIANZKRPAS-MWLCHTKSSA-N 1 0 356.220 2.557 20 5 FFBDRO CC[C@@H]1CN(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)CC[N@@H+]1C[C@H](C)O ZINC000245577555 510019132 /nfs/dbraw/zinc/01/91/32/510019132.db2.gz GTESIBBZRWAMNC-DZGCQCFKSA-N 1 0 364.446 2.521 20 5 FFBDRO CNC(=O)c1ccc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000174247106 510023471 /nfs/dbraw/zinc/02/34/71/510023471.db2.gz OZTLUQINBZWHJG-UHFFFAOYSA-N 1 0 369.421 2.998 20 5 FFBDRO Cc1cnc(C(C)(C)[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)s1 ZINC000183915061 510037863 /nfs/dbraw/zinc/03/78/63/510037863.db2.gz NOEBSUIDPJUJMZ-CYBMUJFWSA-N 1 0 351.428 2.624 20 5 FFBDRO Cn1c(Sc2ccc([N+](=O)[O-])c3cnccc23)nnc1[C@H]1CCC[NH2+]C1 ZINC000265435074 510052778 /nfs/dbraw/zinc/05/27/78/510052778.db2.gz GMWXZLDJEVINGV-NSHDSACASA-N 1 0 370.438 2.890 20 5 FFBDRO C[C@H](C[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1nccs1 ZINC000184013118 510087448 /nfs/dbraw/zinc/08/74/48/510087448.db2.gz SMGDPOUMUPCBHZ-OCCSQVGLSA-N 1 0 351.428 2.527 20 5 FFBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)C[NH+]1CCCC1 ZINC000180778828 510103200 /nfs/dbraw/zinc/10/32/00/510103200.db2.gz YFDFFQRDECEKMB-LLVKDONJSA-N 1 0 357.357 2.658 20 5 FFBDRO C[C@H](NC(=O)COc1ccccc1[N+](=O)[O-])[C@H](c1ccccc1)[NH+](C)C ZINC000187180616 510107584 /nfs/dbraw/zinc/10/75/84/510107584.db2.gz XBKRSVBZSKIGMB-IFXJQAMLSA-N 1 0 357.410 2.781 20 5 FFBDRO C[NH+](C)CCCOc1ccc(CNc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 ZINC000171367497 510110349 /nfs/dbraw/zinc/11/03/49/510110349.db2.gz BTULKONUYAAQEP-UHFFFAOYSA-N 1 0 372.425 2.636 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC(C[NH+]2CCCC2)CC1 ZINC000171388699 510124315 /nfs/dbraw/zinc/12/43/15/510124315.db2.gz YSWSZIWHVMGJGZ-UHFFFAOYSA-N 1 0 360.458 2.650 20 5 FFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000171389362 510125920 /nfs/dbraw/zinc/12/59/20/510125920.db2.gz RYTRLSRTPOGRLI-OAHLLOKOSA-N 1 0 360.458 2.730 20 5 FFBDRO Cc1nn(CCC(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)c(C)c1[N+](=O)[O-] ZINC000187215941 510127822 /nfs/dbraw/zinc/12/78/22/510127822.db2.gz CFRFYXWNCRAMQM-BFUOFWGJSA-N 1 0 373.457 2.606 20 5 FFBDRO CC(=O)c1ccc(NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c([N+](=O)[O-])c1 ZINC000268930699 510143311 /nfs/dbraw/zinc/14/33/11/510143311.db2.gz BZZHHRWJOJQUBZ-IEBWSBKVSA-N 1 0 361.442 2.977 20 5 FFBDRO O=C(Nc1ncc(C2CC[NH2+]CC2)s1)c1ccc([N+](=O)[O-])cc1F ZINC000262004752 510146141 /nfs/dbraw/zinc/14/61/41/510146141.db2.gz GQWHULGNWXXWFJ-UHFFFAOYSA-N 1 0 350.375 2.910 20 5 FFBDRO COC(=O)c1ccccc1CC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000187262245 510156876 /nfs/dbraw/zinc/15/68/76/510156876.db2.gz QQQHGDKVLJWNOU-OAHLLOKOSA-N 1 0 370.409 2.505 20 5 FFBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)C1 ZINC000174542564 510168487 /nfs/dbraw/zinc/16/84/87/510168487.db2.gz YUBUIWWWBSQZTB-CYBMUJFWSA-N 1 0 364.402 2.534 20 5 FFBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2c2ncc([N+](=O)[O-])cc2Br)C1 ZINC000269091040 510230608 /nfs/dbraw/zinc/23/06/08/510230608.db2.gz LAHYQIPGLPIXIU-GWCFXTLKSA-N 1 0 355.236 2.673 20 5 FFBDRO CC[NH+]1CCN(c2cccc(NC(=O)Cc3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000184273421 510232172 /nfs/dbraw/zinc/23/21/72/510232172.db2.gz JVOXXFHZWACALP-UHFFFAOYSA-N 1 0 368.437 2.918 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H](c2ccc(Cl)cc2)C2CC2)c1 ZINC000174664359 510238211 /nfs/dbraw/zinc/23/82/11/510238211.db2.gz OHEPXTVVXYXRKN-CVEARBPZSA-N 1 0 350.806 2.547 20 5 FFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000177782137 510251046 /nfs/dbraw/zinc/25/10/46/510251046.db2.gz RDCYWXGJJXQTDD-SJORKVTESA-N 1 0 372.469 2.894 20 5 FFBDRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000181043547 510254311 /nfs/dbraw/zinc/25/43/11/510254311.db2.gz AJLWKKIOMZBWKV-ZDUSSCGKSA-N 1 0 363.439 2.662 20 5 FFBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CC[C@@H]([NH+](C)C)C3)cc2[N+](=O)[O-])C1 ZINC000246042480 510260753 /nfs/dbraw/zinc/26/07/53/510260753.db2.gz YKJFPKGKXKMEMA-HLLBOEOZSA-N 1 0 374.485 2.853 20 5 FFBDRO C[C@@H]([NH3+])CCNC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000262534009 510310670 /nfs/dbraw/zinc/31/06/70/510310670.db2.gz LNCCWFKYYIHGEE-CHWSQXEVSA-N 1 0 357.414 2.630 20 5 FFBDRO CC(C)[N@@H+]1CCCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000269274492 510319583 /nfs/dbraw/zinc/31/95/83/510319583.db2.gz NERJNLAGSRWFNI-UHFFFAOYSA-N 1 0 370.247 2.914 20 5 FFBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)NCC[C@H]3CC[NH2+]C3)cc2[N+](=O)[O-])C1 ZINC000262580788 510323782 /nfs/dbraw/zinc/32/37/82/510323782.db2.gz OMXKPTJAUMGPGX-OWCLPIDISA-N 1 0 374.485 2.807 20 5 FFBDRO COc1cc(C(=O)NC2CC[NH+](C(C)(C)C)CC2)cc([N+](=O)[O-])c1OC ZINC000265966989 510329244 /nfs/dbraw/zinc/32/92/44/510329244.db2.gz SXJYYYIANWFYSL-UHFFFAOYSA-N 1 0 365.430 2.605 20 5 FFBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC([C@H](O)c3ccc(Cl)cc3)CC2)c1 ZINC000174855123 510346593 /nfs/dbraw/zinc/34/65/93/510346593.db2.gz IWFDTKMGYBUFKP-QGZVFWFLSA-N 1 0 364.833 2.890 20 5 FFBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000269365560 510364968 /nfs/dbraw/zinc/36/49/68/510364968.db2.gz VKFZTWSXKWUKKC-FZKQIMNGSA-N 1 0 358.442 2.752 20 5 FFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174953660 510404103 /nfs/dbraw/zinc/40/41/03/510404103.db2.gz YOTIBZCYEWAWFF-KRWDZBQOSA-N 1 0 368.437 2.892 20 5 FFBDRO COC[C@@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1ccco1 ZINC000184625503 510426097 /nfs/dbraw/zinc/42/60/97/510426097.db2.gz SUPLTVCEBUNECW-CQSZACIVSA-N 1 0 363.370 2.502 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H](c2ccccc2F)C2CCCC2)c1 ZINC000181500866 510440624 /nfs/dbraw/zinc/44/06/24/510440624.db2.gz SLALWZUOZXOZQK-CRAIPNDOSA-N 1 0 362.405 2.812 20 5 FFBDRO C[NH+](C)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C1 ZINC000172029143 510507539 /nfs/dbraw/zinc/50/75/39/510507539.db2.gz OSEJBOAIMOCFCL-OAHLLOKOSA-N 1 0 360.458 2.609 20 5 FFBDRO C[C@H]1CC[C@](CO)([N@H+](C)CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000187946583 510515640 /nfs/dbraw/zinc/51/56/40/510515640.db2.gz RYDXEYOZGMSSGM-ZBEGNZNMSA-N 1 0 355.822 2.670 20 5 FFBDRO CN(CC1([NH+](C)C)CCC1)C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000188020262 510552396 /nfs/dbraw/zinc/55/23/96/510552396.db2.gz ITMMXVRBGBVFNK-UHFFFAOYSA-N 1 0 369.849 2.960 20 5 FFBDRO Cc1ccc([C@H](C)[NH2+]CCn2cnc3ccccc3c2=O)cc1[N+](=O)[O-] ZINC000181815503 510607893 /nfs/dbraw/zinc/60/78/93/510607893.db2.gz KHHJJOXRSXXDOC-AWEZNQCLSA-N 1 0 352.394 2.964 20 5 FFBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])s2)[C@@H](C)C1 ZINC000246722444 510636972 /nfs/dbraw/zinc/63/69/72/510636972.db2.gz GQPBEQCVSDLOQQ-QWHCGFSZSA-N 1 0 355.460 2.523 20 5 FFBDRO CC[C@H]1CN(C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)CC[N@@H+]1CCOC ZINC000191408646 510646356 /nfs/dbraw/zinc/64/63/56/510646356.db2.gz HBUNQCVKMYMXBE-HNNXBMFYSA-N 1 0 364.446 2.786 20 5 FFBDRO CCN(CCC[NH+](CC)CC)S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000188248226 510668590 /nfs/dbraw/zinc/66/85/90/510668590.db2.gz NDNCVBMBJVZMSS-UHFFFAOYSA-N 1 0 357.476 2.646 20 5 FFBDRO CN(Cc1ccccc1[N+](=O)[O-])C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188297419 510696621 /nfs/dbraw/zinc/69/66/21/510696621.db2.gz JIRSTRYJKCQDMI-FQEVSTJZSA-N 1 0 355.438 2.664 20 5 FFBDRO CC(C)NC(=O)c1ccc(N2CC[C@H](C3CC[NH+](C)CC3)C2)c([N+](=O)[O-])c1 ZINC000270173099 510701795 /nfs/dbraw/zinc/70/17/95/510701795.db2.gz LNOJUKUEKWJPDS-KRWDZBQOSA-N 1 0 374.485 2.901 20 5 FFBDRO C[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1ccc(-n2ccnn2)cc1 ZINC000182040160 510725677 /nfs/dbraw/zinc/72/56/77/510725677.db2.gz DRNCNGCWECUCNS-CQSZACIVSA-N 1 0 353.382 2.905 20 5 FFBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3C[C@@H](C)[NH2+][C@H](C)C3)cc2[N+](=O)[O-])C1 ZINC000246888821 510728569 /nfs/dbraw/zinc/72/85/69/510728569.db2.gz ISYPGOBNPMVVTG-QKPAOTATSA-N 1 0 374.485 2.900 20 5 FFBDRO C[NH+]1CCC([C@@H]2CCN(C(=O)NCCc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000270258820 510737591 /nfs/dbraw/zinc/73/75/91/510737591.db2.gz CRLJCDHRTZZIAE-QGZVFWFLSA-N 1 0 360.458 2.511 20 5 FFBDRO COc1ccc2c(c1)C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC2 ZINC000178728512 510741119 /nfs/dbraw/zinc/74/11/19/510741119.db2.gz JRKXGBYBNFPYEF-UHFFFAOYSA-N 1 0 355.394 2.990 20 5 FFBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000263680960 510785966 /nfs/dbraw/zinc/78/59/66/510785966.db2.gz OTPIWDCVCMXZKF-TZMCWYRMSA-N 1 0 374.397 2.791 20 5 FFBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000263680954 510786506 /nfs/dbraw/zinc/78/65/06/510786506.db2.gz OTPIWDCVCMXZKF-GXTWGEPZSA-N 1 0 374.397 2.791 20 5 FFBDRO CN(C(=O)CN1CCC[N@@H+](C2CCCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000172581092 510804544 /nfs/dbraw/zinc/80/45/44/510804544.db2.gz DCBUCRFEYBEDBC-UHFFFAOYSA-N 1 0 360.458 2.508 20 5 FFBDRO O=C(NCCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccc([N+](=O)[O-])o1 ZINC000182294361 510845873 /nfs/dbraw/zinc/84/58/73/510845873.db2.gz KLZURCYYVZBRPF-UHFFFAOYSA-N 1 0 373.409 2.635 20 5 FFBDRO CC[C@@H](Cc1ccc(C)cc1)[N@H+](CC)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000247181720 510849306 /nfs/dbraw/zinc/84/93/06/510849306.db2.gz BJEGOCFXEXRLHY-PKOBYXMFSA-N 1 0 360.458 2.804 20 5 FFBDRO Cc1cccc([C@H]2CCCC[N@@H+]2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1C ZINC000247204670 510851663 /nfs/dbraw/zinc/85/16/63/510851663.db2.gz CDZSQJOJSNPEKF-IEBWSBKVSA-N 1 0 358.442 2.996 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000247511432 510863869 /nfs/dbraw/zinc/86/38/69/510863869.db2.gz VSCBCKWICVFMOP-HOCLYGCPSA-N 1 0 371.441 2.583 20 5 FFBDRO Cn1cc([C@H]2OCCC[C@@H]2[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)cn1 ZINC000275361626 510884437 /nfs/dbraw/zinc/88/44/37/510884437.db2.gz BEISMLCJADATQA-JKSUJKDBSA-N 1 0 350.806 2.992 20 5 FFBDRO C[C@@H]([NH2+][C@@H]1CCN(Cc2ccc(F)cc2)C1=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285420774 510899577 /nfs/dbraw/zinc/89/95/77/510899577.db2.gz YDKCSIPVNHRNFL-SJKOYZFVSA-N 1 0 372.400 2.768 20 5 FFBDRO CCOC(=O)C1CCC(O)(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000285453574 510912980 /nfs/dbraw/zinc/91/29/80/510912980.db2.gz YRNHIHKYFZYHER-UHFFFAOYSA-N 1 0 364.442 2.554 20 5 FFBDRO CC(=O)c1ccc(NC(=O)CN(C)CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000282484961 510996018 /nfs/dbraw/zinc/99/60/18/510996018.db2.gz PEPODHBIQAKGHR-UHFFFAOYSA-N 1 0 355.394 2.910 20 5 FFBDRO C[C@@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@@H](C2CC2)O1 ZINC000279366749 511058345 /nfs/dbraw/zinc/05/83/45/511058345.db2.gz RLZXPHZVDIUSFW-BZNIZROVSA-N 1 0 351.378 2.562 20 5 FFBDRO Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H](c3ccncn3)C2)cccc1[N+](=O)[O-] ZINC000361652380 511074956 /nfs/dbraw/zinc/07/49/56/511074956.db2.gz LRHVKCNGMVBKEC-OAHLLOKOSA-N 1 0 369.425 2.901 20 5 FFBDRO COc1cc(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)c([N+](=O)[O-])cc1F ZINC000294504084 511086951 /nfs/dbraw/zinc/08/69/51/511086951.db2.gz XGRNUEHKYNARIL-MRXNPFEDSA-N 1 0 361.373 2.775 20 5 FFBDRO COCCn1cc(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])cn1 ZINC000282941899 511170484 /nfs/dbraw/zinc/17/04/84/511170484.db2.gz YXEXMIUXQBVEGI-SJLPKXTDSA-N 1 0 358.442 2.939 20 5 FFBDRO COc1ccccc1[C@H](C)[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000298091696 511172191 /nfs/dbraw/zinc/17/21/91/511172191.db2.gz SJUJWPZBOUQERS-ZDUSSCGKSA-N 1 0 355.394 2.843 20 5 FFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000279809186 511222635 /nfs/dbraw/zinc/22/26/35/511222635.db2.gz XDFLUUUBCQJXCL-INIZCTEOSA-N 1 0 369.421 2.998 20 5 FFBDRO O=C(NCCC[C@@H]1CCC[NH2+]1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000294976433 511240335 /nfs/dbraw/zinc/24/03/35/511240335.db2.gz XTLMTBJMSLZEQI-NSHDSACASA-N 1 0 356.220 2.619 20 5 FFBDRO C[NH+](C)CC1CCN(c2ccccc2NC(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000279872542 511248073 /nfs/dbraw/zinc/24/80/73/511248073.db2.gz GUGMNWDDVYNFMH-UHFFFAOYSA-N 1 0 371.441 2.953 20 5 FFBDRO CCN(Cc1c([N+](=O)[O-])ncn1C)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000362852292 511252121 /nfs/dbraw/zinc/25/21/21/511252121.db2.gz PTQMKMVZWUNDKC-RDJZCZTQSA-N 1 0 357.458 2.986 20 5 FFBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000283307492 511316197 /nfs/dbraw/zinc/31/61/97/511316197.db2.gz AIYMLCXGCJGLFJ-NSHDSACASA-N 1 0 370.247 2.689 20 5 FFBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000295237874 511332677 /nfs/dbraw/zinc/33/26/77/511332677.db2.gz ZXCGTEABBPGYAX-ZANVPECISA-N 1 0 357.332 2.826 20 5 FFBDRO C[N@H+]1CC=C(CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1 ZINC000271883014 511358753 /nfs/dbraw/zinc/35/87/53/511358753.db2.gz CKPAUHFMQSJRMO-UHFFFAOYSA-N 1 0 361.445 2.533 20 5 FFBDRO C[NH+]1CCC(CC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000291935412 511397820 /nfs/dbraw/zinc/39/78/20/511397820.db2.gz MXSMNWJTOLJWPL-UHFFFAOYSA-N 1 0 361.442 2.697 20 5 FFBDRO COc1cc(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)c([N+](=O)[O-])cc1F ZINC000295417377 511397963 /nfs/dbraw/zinc/39/79/63/511397963.db2.gz DSEFHSLKLZPAKZ-MAUKXSAKSA-N 1 0 373.384 2.918 20 5 FFBDRO C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+](C2CC2)C1 ZINC000295510356 511430087 /nfs/dbraw/zinc/43/00/87/511430087.db2.gz HMOHSEWKQWIZRT-LBPRGKRZSA-N 1 0 351.834 2.733 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@](C)(OC)CC1 ZINC000280349713 511431870 /nfs/dbraw/zinc/43/18/70/511431870.db2.gz IWKZVPXITLVMID-GOSISDBHSA-N 1 0 365.430 2.823 20 5 FFBDRO COC[C@H]1CC[N@H+](Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C1 ZINC000272215633 511468349 /nfs/dbraw/zinc/46/83/49/511468349.db2.gz BCBRASPHFNXFEQ-NSHDSACASA-N 1 0 360.357 2.716 20 5 FFBDRO Cc1cc(N2CC[C@@]3(CC[N@@H+](C)C3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000292225690 511512545 /nfs/dbraw/zinc/51/25/45/511512545.db2.gz IMSIZWPVKTUNHC-LJQANCHMSA-N 1 0 353.426 2.892 20 5 FFBDRO COC(=O)c1cc(C)nc(N2CCC[C@@H]2C[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000283888119 511534459 /nfs/dbraw/zinc/53/44/59/511534459.db2.gz VMUNHTOSXNCKCK-CQSZACIVSA-N 1 0 362.430 2.540 20 5 FFBDRO CN(C(=O)C[NH2+][C@H]1CCN(C)[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000283966062 511558610 /nfs/dbraw/zinc/55/86/10/511558610.db2.gz IFTFVDWIANBLIS-ICSRJNTNSA-N 1 0 368.437 2.593 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000292352542 511563991 /nfs/dbraw/zinc/56/39/91/511563991.db2.gz PVJLRUUBTMIGRR-AWEZNQCLSA-N 1 0 360.458 2.648 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])cn1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000365738129 511629408 /nfs/dbraw/zinc/62/94/08/511629408.db2.gz GSIQZPFMMMFERD-DLBZAZTESA-N 1 0 366.421 2.584 20 5 FFBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)CC[C@H]21 ZINC000273851121 511631634 /nfs/dbraw/zinc/63/16/34/511631634.db2.gz LUCDHSZCBDYIBY-CXAGYDPISA-N 1 0 363.433 2.954 20 5 FFBDRO C[C@H]1CCC[N@H+](CCNc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])C1 ZINC000301225020 511690343 /nfs/dbraw/zinc/69/03/43/511690343.db2.gz BEYOYBLCCJXFCP-AWEZNQCLSA-N 1 0 371.441 2.703 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000324966661 511842329 /nfs/dbraw/zinc/84/23/29/511842329.db2.gz MDARQAURUKZJJB-STQMWFEESA-N 1 0 373.862 2.543 20 5 FFBDRO CN(C(=O)c1ccc([N+](=O)[O-])cn1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000366123152 511852467 /nfs/dbraw/zinc/85/24/67/511852467.db2.gz GQVWYQRGBISGTO-KRWDZBQOSA-N 1 0 354.410 2.726 20 5 FFBDRO Cc1ccc([C@H](C)NC(=O)Nc2ccnn2CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000296710917 511866069 /nfs/dbraw/zinc/86/60/69/511866069.db2.gz ATIRYSHAQFVIBC-ZDUSSCGKSA-N 1 0 360.418 2.544 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000327874719 511882328 /nfs/dbraw/zinc/88/23/28/511882328.db2.gz XXMKFCAHKCFEGS-MRXNPFEDSA-N 1 0 363.439 2.662 20 5 FFBDRO COC(=O)c1cc(-c2nc(-c3ccn4c[nH+]cc4c3)no2)cc([N+](=O)[O-])c1 ZINC000351044771 511938640 /nfs/dbraw/zinc/93/86/40/511938640.db2.gz HJDDUONIYJCRNE-UHFFFAOYSA-N 1 0 365.305 2.746 20 5 FFBDRO CN(CCC[NH+]1CCCC1)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000281853713 511989477 /nfs/dbraw/zinc/98/94/77/511989477.db2.gz YHPJKBMXTLEKAP-UHFFFAOYSA-N 1 0 370.247 2.915 20 5 FFBDRO C[NH+](C)[C@@]1(CNC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])CCSC1 ZINC000293581203 512016488 /nfs/dbraw/zinc/01/64/88/512016488.db2.gz WYCLJPMYFGHDOS-QGZVFWFLSA-N 1 0 366.487 2.566 20 5 FFBDRO Cc1c([N+](=O)[O-])cc(C(=O)NC2CC([NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000366459038 512035470 /nfs/dbraw/zinc/03/54/70/512035470.db2.gz LWPIYIGATOOMHM-UHFFFAOYSA-N 1 0 362.386 2.558 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](c2ccc(F)cc2)[C@H]([NH3+])C1 ZINC000297226079 512068236 /nfs/dbraw/zinc/06/82/36/512068236.db2.gz OKHYSFGZHXKHIW-SJLPKXTDSA-N 1 0 357.385 2.999 20 5 FFBDRO CCOc1ccc(C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000369684980 512553720 /nfs/dbraw/zinc/55/37/20/512553720.db2.gz AUQDMUWOKBMQKM-HNNXBMFYSA-N 1 0 361.442 2.942 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(CC(=O)Nc2ccc(C[NH+](C)C)cc2)c1F ZINC000411280715 512559341 /nfs/dbraw/zinc/55/93/41/512559341.db2.gz FXFSZUOWXMMPNK-UHFFFAOYSA-N 1 0 361.373 2.985 20 5 FFBDRO COc1ccc(NC(=O)CC[N@@H+](C[C@@H](C)OC)C(C)C)c([N+](=O)[O-])c1 ZINC000411285347 512562501 /nfs/dbraw/zinc/56/25/01/512562501.db2.gz RFCZYYUCNBOVEI-CYBMUJFWSA-N 1 0 353.419 2.677 20 5 FFBDRO CCOC(=O)CC(C)(C)[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411410422 512622665 /nfs/dbraw/zinc/62/26/65/512622665.db2.gz DCMMMWDIKXFRHM-UHFFFAOYSA-N 1 0 351.403 2.587 20 5 FFBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000378192617 512631446 /nfs/dbraw/zinc/63/14/46/512631446.db2.gz UGJVYPACLFYAHK-QWHCGFSZSA-N 1 0 368.231 2.714 20 5 FFBDRO CCC[C@H]([NH2+]C[C@H]1CCC[C@@]12NC(=O)N(C)C2=O)c1cccc([N+](=O)[O-])c1 ZINC000369845309 512642290 /nfs/dbraw/zinc/64/22/90/512642290.db2.gz JHGWQBVXRYIVGS-SIXWZSSISA-N 1 0 374.441 2.746 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000378252081 512659026 /nfs/dbraw/zinc/65/90/26/512659026.db2.gz TURVLQVAVSCMMW-XPKDYRNWSA-N 1 0 367.833 2.572 20 5 FFBDRO C[C@H]1CN(c2c(Cl)cccc2[N+](=O)[O-])CC[C@H]1[NH+]1CCN(C)CC1 ZINC000367927322 512726535 /nfs/dbraw/zinc/72/65/35/512726535.db2.gz PRDDMGXSZZHIPW-DZGCQCFKSA-N 1 0 352.866 2.710 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCCC2(CC[NH2+]CC2)C1 ZINC000376257316 512736559 /nfs/dbraw/zinc/73/65/59/512736559.db2.gz ISFLOODUDBRHLH-UHFFFAOYSA-N 1 0 354.410 2.749 20 5 FFBDRO Cc1ccc(C2CC[NH+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)CC2)cn1 ZINC000370079357 512756542 /nfs/dbraw/zinc/75/65/42/512756542.db2.gz BVSJKUIMSHEVNA-LJQANCHMSA-N 1 0 371.437 2.918 20 5 FFBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])c3cnccc32)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000374314695 512760964 /nfs/dbraw/zinc/76/09/64/512760964.db2.gz XBTLZZLCGCUUEN-QAPCUYQASA-N 1 0 369.469 2.605 20 5 FFBDRO NC(=O)c1ccc(C[NH2+][C@@H](c2ccccc2)C2CCOCC2)c([N+](=O)[O-])c1 ZINC000378458983 512769561 /nfs/dbraw/zinc/76/95/61/512769561.db2.gz FLCBCANBTWIWSS-IBGZPJMESA-N 1 0 369.421 2.951 20 5 FFBDRO C[NH+]1CCC2(CCCN(c3nc4ccc([N+](=O)[O-])cc4c(=O)[nH]3)C2)CC1 ZINC000376423391 512812363 /nfs/dbraw/zinc/81/23/63/512812363.db2.gz WQMCXIHEYMLOPC-UHFFFAOYSA-N 1 0 357.414 2.556 20 5 FFBDRO C[C@@H]([NH2+]CC(=O)N[C@@H]1CCOc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000374498484 512860868 /nfs/dbraw/zinc/86/08/68/512860868.db2.gz XLQBSCZKKBLWRE-CXAGYDPISA-N 1 0 355.394 2.885 20 5 FFBDRO Nc1c(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000379688638 512871696 /nfs/dbraw/zinc/87/16/96/512871696.db2.gz ZLCOWPNXOOLBAG-MRXNPFEDSA-N 1 0 368.437 2.962 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000374553070 512888623 /nfs/dbraw/zinc/88/86/23/512888623.db2.gz VPCVIMMRBFIXLX-CYBMUJFWSA-N 1 0 357.414 2.576 20 5 FFBDRO O=C1[C@@H]([N@@H+]2CC[C@@H](Cc3ccncc3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000368486961 512970599 /nfs/dbraw/zinc/97/05/99/512970599.db2.gz QQBVPLKRRPHBGG-LPHOPBHVSA-N 1 0 366.421 2.660 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N3CC[NH+]4CCC3CC4)cc2[N+](=O)[O-])C1 ZINC000408162580 513012208 /nfs/dbraw/zinc/01/22/08/513012208.db2.gz XPNDOYFZRVFXLW-OAHLLOKOSA-N 1 0 372.469 2.751 20 5 FFBDRO Cc1cccc(NC[C@@H]2CCCN2C(=O)c2cc([N+](=O)[O-])c(F)cc2N)n1 ZINC000374829977 513025400 /nfs/dbraw/zinc/02/54/00/513025400.db2.gz QBJGSJNCYWNUEC-LBPRGKRZSA-N 1 0 373.388 2.736 20 5 FFBDRO C[C@H]1CCCN(c2ccc(C(=O)N3CC[NH2+]C(C)(C)C3)cc2[N+](=O)[O-])C1 ZINC000408320437 513043305 /nfs/dbraw/zinc/04/33/05/513043305.db2.gz OKXQCCKOWHBHKK-AWEZNQCLSA-N 1 0 360.458 2.655 20 5 FFBDRO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000374881059 513052963 /nfs/dbraw/zinc/05/29/63/513052963.db2.gz VYDIYBQKKOSPFG-ZBFHGGJFSA-N 1 0 354.410 2.630 20 5 FFBDRO CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC1 ZINC000412397891 513064698 /nfs/dbraw/zinc/06/46/98/513064698.db2.gz FKGUQQBMDHZCHC-UHFFFAOYSA-N 1 0 364.446 2.668 20 5 FFBDRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000370753012 513084202 /nfs/dbraw/zinc/08/42/02/513084202.db2.gz CQOOYZYCIJEZFJ-FGWVZKOKSA-N 1 0 368.231 2.842 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC2(CCC[N@H+]2C)CC1 ZINC000374975158 513094708 /nfs/dbraw/zinc/09/47/08/513094708.db2.gz BPZCMUQHZIQDNO-UHFFFAOYSA-N 1 0 360.458 2.792 20 5 FFBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000417714095 513177440 /nfs/dbraw/zinc/17/74/40/513177440.db2.gz HBCJOBIZRHGNMH-IBGZPJMESA-N 1 0 360.458 2.703 20 5 FFBDRO CC[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000415259722 513178097 /nfs/dbraw/zinc/17/80/97/513178097.db2.gz VMWNFIHWLAELOT-ZDUSSCGKSA-N 1 0 370.409 2.520 20 5 FFBDRO [NH3+]C[C@H]1CC[C@H](CNC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000417729913 513184306 /nfs/dbraw/zinc/18/43/06/513184306.db2.gz QMPCYGIKPOERFJ-QAQDUYKDSA-N 1 0 362.474 2.982 20 5 FFBDRO CS[C@@H]1CN(C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000446223665 513212122 /nfs/dbraw/zinc/21/21/22/513212122.db2.gz AFYWAMWAUSNYDS-CHWSQXEVSA-N 1 0 357.863 2.674 20 5 FFBDRO C[C@@H]([NH3+])C1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000428904958 513219226 /nfs/dbraw/zinc/21/92/26/513219226.db2.gz IYMXGQYFURKQRX-SECBINFHSA-N 1 0 356.220 2.557 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)cc1C ZINC000440077456 513241247 /nfs/dbraw/zinc/24/12/47/513241247.db2.gz LFWFUPGXMAVFSJ-SWLSCSKDSA-N 1 0 369.487 2.610 20 5 FFBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1 ZINC000429020143 513258061 /nfs/dbraw/zinc/25/80/61/513258061.db2.gz MQHBXDXHCUTVDK-RKVPGOIHSA-N 1 0 360.458 2.586 20 5 FFBDRO COc1ccc(NC(=O)N(CCC[NH3+])Cc2ccccc2)cc1[N+](=O)[O-] ZINC000415438620 513262247 /nfs/dbraw/zinc/26/22/47/513262247.db2.gz MDJLVQDCSASPBY-UHFFFAOYSA-N 1 0 358.398 2.986 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000429040831 513264388 /nfs/dbraw/zinc/26/43/88/513264388.db2.gz NGGQSHMYLVKPGJ-IDHHARJASA-N 1 0 374.485 2.894 20 5 FFBDRO Cc1c(NC(=O)[C@H](C)N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000429041007 513266753 /nfs/dbraw/zinc/26/67/53/513266753.db2.gz NTDWPAFPWWLPCP-IWKLRQMXSA-N 1 0 374.485 2.892 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)NCC[C@H]3CC[NH2+]C3)cc2[N+](=O)[O-])C1 ZINC000429103092 513278000 /nfs/dbraw/zinc/27/80/00/513278000.db2.gz BNAJYOKZCYWWOF-HUUCEWRRSA-N 1 0 360.458 2.561 20 5 FFBDRO [NH3+]CC[C@H]1CCCN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000417992647 513322359 /nfs/dbraw/zinc/32/23/59/513322359.db2.gz OVBYGJPXNMVBKS-GFCCVEGCSA-N 1 0 354.838 2.561 20 5 FFBDRO CC(C)[C@@](C)(C[NH3+])NC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000429280075 513324795 /nfs/dbraw/zinc/32/47/95/513324795.db2.gz WZFUZVKEOMELJJ-IFXJQAMLSA-N 1 0 362.474 2.934 20 5 FFBDRO C[C@H]1CN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC[N@@H+](C2CCC2)C1 ZINC000429392000 513362552 /nfs/dbraw/zinc/36/25/52/513362552.db2.gz DCYKWQJNRPYRHI-AWEZNQCLSA-N 1 0 361.442 2.768 20 5 FFBDRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000418085802 513367004 /nfs/dbraw/zinc/36/70/04/513367004.db2.gz AXVBDGYVTBWFCZ-VHSXEESVSA-N 1 0 360.336 2.505 20 5 FFBDRO Cc1c(NC(=O)NCC[C@@H]2CC[NH2+]C2)cc(Br)cc1[N+](=O)[O-] ZINC000415661299 513367886 /nfs/dbraw/zinc/36/78/86/513367886.db2.gz QDCQMFSZWIICHG-JTQLQIEISA-N 1 0 371.235 2.787 20 5 FFBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NC2CCC([NH+](C)C)CC2)cc1OC ZINC000421685577 513369549 /nfs/dbraw/zinc/36/95/49/513369549.db2.gz SWLKAMONAMTBEK-UHFFFAOYSA-N 1 0 365.430 2.605 20 5 FFBDRO COc1cc(C[NH2+]CC[C@@H]2COc3ccccc3O2)c([N+](=O)[O-])cc1OC ZINC000418105618 513373853 /nfs/dbraw/zinc/37/38/53/513373853.db2.gz YEYLHYFBSSUGJS-CQSZACIVSA-N 1 0 374.393 2.932 20 5 FFBDRO COC[C@@]1(CNC(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000415699781 513388286 /nfs/dbraw/zinc/38/82/86/513388286.db2.gz KGMIIIBZAWNYST-SFHVURJKSA-N 1 0 364.446 2.782 20 5 FFBDRO C[NH2+]C[C@@H]1CCCN1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415700537 513388653 /nfs/dbraw/zinc/38/86/53/513388653.db2.gz MPQLSYRXXXOMIL-NSHDSACASA-N 1 0 357.208 2.573 20 5 FFBDRO C[C@H]1CCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000415708079 513391961 /nfs/dbraw/zinc/39/19/61/513391961.db2.gz WSKZBGBMNULCIO-UWVGGRQHSA-N 1 0 371.235 2.806 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cn1 ZINC000421753171 513406569 /nfs/dbraw/zinc/40/65/69/513406569.db2.gz YJOQLFFLSZUSOE-UHFFFAOYSA-N 1 0 369.425 2.611 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000421780751 513424131 /nfs/dbraw/zinc/42/41/31/513424131.db2.gz VMFAKPBRFIIDSH-UHFFFAOYSA-N 1 0 363.458 2.785 20 5 FFBDRO CC(C)(CO)[C@@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000429712570 513448650 /nfs/dbraw/zinc/44/86/50/513448650.db2.gz BZUICODRSDAQQM-MJGOQNOKSA-N 1 0 374.437 2.684 20 5 FFBDRO C[C@@H](c1ccncc1)[NH+]1CCC(Nc2c(C(N)=O)cccc2[N+](=O)[O-])CC1 ZINC000425238616 513467624 /nfs/dbraw/zinc/46/76/24/513467624.db2.gz MUSFVJYWWOJGRY-ZDUSSCGKSA-N 1 0 369.425 2.726 20 5 FFBDRO CC(C)(NC(=O)Nc1ccc(OCC[NH3+])cc1)c1ccc([N+](=O)[O-])cc1 ZINC000415939817 513489481 /nfs/dbraw/zinc/48/94/81/513489481.db2.gz RMLNDNNIBQYNPD-UHFFFAOYSA-N 1 0 358.398 2.989 20 5 FFBDRO CC(C)(NC(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2)c1ccc([N+](=O)[O-])cc1 ZINC000415957680 513500115 /nfs/dbraw/zinc/50/01/15/513500115.db2.gz KLHIWELXNMYXDN-AWEZNQCLSA-N 1 0 369.425 2.863 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCN2CCc3ccccc3C2)n1 ZINC000447538030 513502065 /nfs/dbraw/zinc/50/20/65/513502065.db2.gz ABUYTNHCVNZIDC-RTBURBONSA-N 1 0 369.469 2.923 20 5 FFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCCOCC2CCOCC2)n1 ZINC000447538864 513502681 /nfs/dbraw/zinc/50/26/81/513502681.db2.gz DQFQKUPQDPPKAV-IRXDYDNUSA-N 1 0 366.462 2.698 20 5 FFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCN2CCc3ccccc3C2)n1 ZINC000447538026 513502713 /nfs/dbraw/zinc/50/27/13/513502713.db2.gz ABUYTNHCVNZIDC-OALUTQOASA-N 1 0 369.469 2.923 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@@H](CO)Cc2ccccc2)n1 ZINC000447545130 513503529 /nfs/dbraw/zinc/50/35/29/513503529.db2.gz XIRMNLWJYJRBNI-RCCFBDPRSA-N 1 0 358.442 2.716 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@H]2CCOC3(CCOCC3)C2)n1 ZINC000447585583 513515654 /nfs/dbraw/zinc/51/56/54/513515654.db2.gz KQSTYTMLXUPZLA-ARFHVFGLSA-N 1 0 364.446 2.593 20 5 FFBDRO CN(C(=O)C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)C1CCCCC1 ZINC000447587027 513516148 /nfs/dbraw/zinc/51/61/48/513516148.db2.gz OEZGNTNSYBAUER-HZPDHXFCSA-N 1 0 363.462 2.656 20 5 FFBDRO Cc1ccccc1C[C@H](CO)[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447592668 513517058 /nfs/dbraw/zinc/51/70/58/513517058.db2.gz MZIYYGISWNNJNJ-FGTMMUONSA-N 1 0 358.442 2.777 20 5 FFBDRO C[C@@H]1CN(c2nccc3ccc([N+](=O)[O-])cc32)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000413214013 513525449 /nfs/dbraw/zinc/52/54/49/513525449.db2.gz KSVBLHLCOYSMIT-DNVCBOLYSA-N 1 0 369.469 2.605 20 5 FFBDRO C[NH2+]Cc1ccc(NC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000415995569 513526123 /nfs/dbraw/zinc/52/61/23/513526123.db2.gz XYHALMNEAXTCOD-UHFFFAOYSA-N 1 0 369.425 2.668 20 5 FFBDRO CC[NH+]1CCC(N2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3C)CC2)CC1 ZINC000422022627 513528766 /nfs/dbraw/zinc/52/87/66/513528766.db2.gz PBPHDVSMBZOGJN-UHFFFAOYSA-N 1 0 374.485 2.535 20 5 FFBDRO CCN(CCC[NH+](CC)CC)C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000451117216 513534604 /nfs/dbraw/zinc/53/46/04/513534604.db2.gz TZLHOZSNVZOWQQ-UHFFFAOYSA-N 1 0 373.457 2.975 20 5 FFBDRO C[C@H](CN=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1)[N@@H+]1CCc2ccccc2C1 ZINC000447666380 513534804 /nfs/dbraw/zinc/53/48/04/513534804.db2.gz ASSZYQKAGXKSLO-CYBMUJFWSA-N 1 0 351.410 2.752 20 5 FFBDRO COc1ccccc1[C@H](CNc1nc2cc([N+](=O)[O-])ccc2[nH]1)[NH+](C)C ZINC000447677679 513539499 /nfs/dbraw/zinc/53/94/99/513539499.db2.gz VTPURMDCKXTQTB-INIZCTEOSA-N 1 0 355.398 2.616 20 5 FFBDRO C[NH+](C)[C@@H]1CCOc2c(NC(=O)COc3cccc([N+](=O)[O-])c3)cccc21 ZINC000447723548 513553413 /nfs/dbraw/zinc/55/34/13/513553413.db2.gz PTNPROSBIIHCCI-QGZVFWFLSA-N 1 0 371.393 2.998 20 5 FFBDRO CCO[C@H]1COCC[C@H]1[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425436845 513564971 /nfs/dbraw/zinc/56/49/71/513564971.db2.gz XGNSWALZCZLNCP-OCCSQVGLSA-N 1 0 359.220 2.641 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+](C[C@@H]2CCCO2)C2CCCC2)c1 ZINC000441438330 513567965 /nfs/dbraw/zinc/56/79/65/513567965.db2.gz JMKKKFVKAHQLBA-MJGOQNOKSA-N 1 0 364.442 2.758 20 5 FFBDRO COC[C@@H]([NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000425468246 513582823 /nfs/dbraw/zinc/58/28/23/513582823.db2.gz CFQHHQWUZLIEQQ-OCCSQVGLSA-N 1 0 359.220 2.641 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1CN1C[C@@H]([NH+]2CCCC2)[C@@H](SC)C1 ZINC000430220284 513592407 /nfs/dbraw/zinc/59/24/07/513592407.db2.gz PITGEFIDTOBGFB-WBVHZDCISA-N 1 0 351.472 2.615 20 5 FFBDRO Cc1ncsc1CN(C[C@H]1CC[NH2+]C1)C(=O)c1csc([N+](=O)[O-])c1 ZINC000435609142 513635572 /nfs/dbraw/zinc/63/55/72/513635572.db2.gz XYVJZOVNCYEMFZ-NSHDSACASA-N 1 0 366.468 2.673 20 5 FFBDRO Cc1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)n(C2CC[NH+](C)CC2)n1 ZINC000430440434 513654291 /nfs/dbraw/zinc/65/42/91/513654291.db2.gz SPLDOOYOSPNPIV-UHFFFAOYSA-N 1 0 357.414 2.548 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000451344437 513690559 /nfs/dbraw/zinc/69/05/59/513690559.db2.gz PQQCJBRYMRLTFB-BFYDXBDKSA-N 1 0 361.442 2.857 20 5 FFBDRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1c1ccc([N+](=O)[O-])c(OC(C)(C)C)c1 ZINC000419007338 513714923 /nfs/dbraw/zinc/71/49/23/513714923.db2.gz RKRAMHWRQYQKQS-ZIAGYGMSSA-N 1 0 351.447 2.663 20 5 FFBDRO COc1cc(NC(=O)Cc2ccccc2[N+](=O)[O-])ccc1OCC[NH+](C)C ZINC000416339148 513720118 /nfs/dbraw/zinc/72/01/18/513720118.db2.gz GJEWAGIZZVEGMM-UHFFFAOYSA-N 1 0 373.409 2.725 20 5 FFBDRO CNC(=O)[C@]1(C)CC[N@H+](Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C1 ZINC000430765503 513742587 /nfs/dbraw/zinc/74/25/87/513742587.db2.gz RPTQJMMEOGLGBE-LJQANCHMSA-N 1 0 373.409 2.821 20 5 FFBDRO Cc1cc(S(=O)(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)c(C)cc1[N+](=O)[O-] ZINC000416405061 513753442 /nfs/dbraw/zinc/75/34/42/513753442.db2.gz AZYRDPYYICJJCY-OAHLLOKOSA-N 1 0 369.487 2.707 20 5 FFBDRO NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](Oc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000419310435 513770667 /nfs/dbraw/zinc/77/06/67/513770667.db2.gz HNIBVJXEQAMQGU-QGZVFWFLSA-N 1 0 355.394 2.737 20 5 FFBDRO COc1cc(C(=O)NCCC[N@@H+]2CCCC[C@H]2C)c([N+](=O)[O-])cc1F ZINC000448593310 513798929 /nfs/dbraw/zinc/79/89/29/513798929.db2.gz YMTBYWNVNYAFGH-GFCCVEGCSA-N 1 0 353.394 2.737 20 5 FFBDRO Cc1cc(S(=O)(=O)NCCCCC[NH+]2CCCC2)c(C)cc1[N+](=O)[O-] ZINC000416491285 513800130 /nfs/dbraw/zinc/80/01/30/513800130.db2.gz XPQXDJQJACEBTQ-UHFFFAOYSA-N 1 0 369.487 2.756 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](C[C@H](O)COCc3ccco3)C2)cc1 ZINC000451543139 513821173 /nfs/dbraw/zinc/82/11/73/513821173.db2.gz AZHMUNSRNNWGQS-WMZOPIPTSA-N 1 0 360.410 2.945 20 5 FFBDRO CCCN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000431085131 513822481 /nfs/dbraw/zinc/82/24/81/513822481.db2.gz MRWFJVWDDSDKOE-UHFFFAOYSA-N 1 0 354.838 2.651 20 5 FFBDRO CC1CC[NH+](C[C@@H](O)CNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000436386254 513842860 /nfs/dbraw/zinc/84/28/60/513842860.db2.gz JSUGJFJYARLEEQ-NSHDSACASA-N 1 0 362.352 2.513 20 5 FFBDRO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000451586288 513848778 /nfs/dbraw/zinc/84/87/78/513848778.db2.gz GQGYIXTYFOHFLQ-CABCVRRESA-N 1 0 363.414 2.553 20 5 FFBDRO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000451589456 513851567 /nfs/dbraw/zinc/85/15/67/513851567.db2.gz VGEBKNZGIUXGCC-NEPJUHHUSA-N 1 0 369.805 2.508 20 5 FFBDRO CC(C)[C@H](CO)[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000451599242 513858434 /nfs/dbraw/zinc/85/84/34/513858434.db2.gz PVDHJPVVKQGUAG-JQFCIGGWSA-N 1 0 351.447 2.801 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2noc(C[NH2+][C@@H]([C@H](CO)C3CC3)C3CC3)n2)cc1 ZINC000451600726 513859260 /nfs/dbraw/zinc/85/92/60/513859260.db2.gz HJPIACYOYCLGSK-NVXWUHKLSA-N 1 0 358.398 2.532 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H](C(C)C)[C@@H](CO)C(C)C ZINC000451605388 513862603 /nfs/dbraw/zinc/86/26/03/513862603.db2.gz ZTTDCNRIFGSZBR-YOEHRIQHSA-N 1 0 351.447 2.720 20 5 FFBDRO C[C@@H]1C[C@H](NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000431493216 513911264 /nfs/dbraw/zinc/91/12/64/513911264.db2.gz AYTZPEXLFDBALX-BXKDBHETSA-N 1 0 356.220 2.570 20 5 FFBDRO C[NH2+][C@@H]1CCCN(C(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000422774823 513929301 /nfs/dbraw/zinc/92/93/01/513929301.db2.gz YPEPNKOCQLDGAC-GFCCVEGCSA-N 1 0 353.397 2.644 20 5 FFBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccc(Br)s1 ZINC000443322918 513936030 /nfs/dbraw/zinc/93/60/30/513936030.db2.gz AGUJDVXTBBDODB-SECBINFHSA-N 1 0 372.244 2.931 20 5 FFBDRO NC(=O)CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H]1CCOc2ccccc21 ZINC000451728911 513941769 /nfs/dbraw/zinc/94/17/69/513941769.db2.gz UJIXHTLVFLGRAX-KRWDZBQOSA-N 1 0 355.394 2.796 20 5 FFBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@](C)(O)CC[NH+](C)C ZINC000420020415 513998660 /nfs/dbraw/zinc/99/86/60/513998660.db2.gz SEYMMULHEDHVEA-QGZVFWFLSA-N 1 0 369.487 2.528 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC(C)(C)CCC[NH+](C)C)c1C ZINC000451919588 514071306 /nfs/dbraw/zinc/07/13/06/514071306.db2.gz ZQPVEKWPNXKDHL-UHFFFAOYSA-N 1 0 357.476 2.610 20 5 FFBDRO Cc1ccc(N2CCC[C@H]([NH2+][C@@H](C)Cc3ccccc3[N+](=O)[O-])C2)nn1 ZINC000449119714 514080404 /nfs/dbraw/zinc/08/04/04/514080404.db2.gz APBLHNYDGLBWPH-RDJZCZTQSA-N 1 0 355.442 2.883 20 5 FFBDRO COC(=O)COc1cccc(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000449147679 514092266 /nfs/dbraw/zinc/09/22/66/514092266.db2.gz HUIPUDPHGXEYIU-CQSZACIVSA-N 1 0 358.394 2.867 20 5 FFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](CO)Cc2cc(F)c(F)c(F)c2)cc1 ZINC000443998791 514095533 /nfs/dbraw/zinc/09/55/33/514095533.db2.gz WPDBCBDMVISEJH-CYBMUJFWSA-N 1 0 354.328 2.953 20 5 FFBDRO COc1ccc(C[NH2+]Cc2ccc(C)c(S(C)(=O)=O)c2)cc1[N+](=O)[O-] ZINC000444004802 514097841 /nfs/dbraw/zinc/09/78/41/514097841.db2.gz MQIWRPKZMKIDBH-UHFFFAOYSA-N 1 0 364.423 2.605 20 5 FFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000449214398 514115920 /nfs/dbraw/zinc/11/59/20/514115920.db2.gz YDTQLLUPHNESBE-KKUMJFAQSA-N 1 0 363.483 2.924 20 5 FFBDRO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000423455198 514144814 /nfs/dbraw/zinc/14/48/14/514144814.db2.gz DWGNVJMSYLOJLN-JPZVUWATSA-N 1 0 354.410 2.779 20 5 FFBDRO CN(C)C(=O)[C@@H]1CC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000414495857 514147930 /nfs/dbraw/zinc/14/79/30/514147930.db2.gz HSIWFSUAXRPPQB-CYBMUJFWSA-N 1 0 360.439 2.628 20 5 FFBDRO CCO[C@@H]1CCCC[C@H]1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000452035283 514151241 /nfs/dbraw/zinc/15/12/41/514151241.db2.gz NZDOCYKIYSHDJY-GDBMZVCRSA-N 1 0 365.430 2.869 20 5 FFBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@]2(CC[NH2+]C2)C1 ZINC000423556920 514168956 /nfs/dbraw/zinc/16/89/56/514168956.db2.gz NBXIEFHIJMLZIS-HNNXBMFYSA-N 1 0 355.847 2.552 20 5 FFBDRO CC[NH2+][C@H](C)CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000423612296 514183019 /nfs/dbraw/zinc/18/30/19/514183019.db2.gz TXAOAXYFTRXEAM-SNVBAGLBSA-N 1 0 359.376 2.687 20 5 FFBDRO COC[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000452106138 514194206 /nfs/dbraw/zinc/19/42/06/514194206.db2.gz QEDWFYWJWAPDEY-CQSZACIVSA-N 1 0 365.430 2.681 20 5 FFBDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2c(C(N)=O)cccc2[N+](=O)[O-])C1 ZINC000420602875 514197141 /nfs/dbraw/zinc/19/71/41/514197141.db2.gz OWQXDYKJQUIUHL-LSDHHAIUSA-N 1 0 360.458 2.785 20 5 FFBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000423694878 514204257 /nfs/dbraw/zinc/20/42/57/514204257.db2.gz LABAZDGCERKRIZ-JQWIXIFHSA-N 1 0 355.847 2.551 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000417177026 514211995 /nfs/dbraw/zinc/21/19/95/514211995.db2.gz KJHXSXAGGAFHSG-UHFFFAOYSA-N 1 0 372.425 2.664 20 5 FFBDRO O=C(CC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)N1CCc2ccccc2C1 ZINC000444601139 514269047 /nfs/dbraw/zinc/26/90/47/514269047.db2.gz VLLOJEYTULMMIS-UHFFFAOYSA-N 1 0 365.433 2.928 20 5 FFBDRO [NH3+][C@@H]1CCC[C@H](CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000449646371 514279776 /nfs/dbraw/zinc/27/97/76/514279776.db2.gz NPEJYBJACXRCQR-GXSJLCMTSA-N 1 0 356.220 2.605 20 5 FFBDRO COc1cc(CN2C[C@H]3CCC[C@@H](C2)[NH2+]3)c([N+](=O)[O-])cc1OC(F)F ZINC000438002040 514285619 /nfs/dbraw/zinc/28/56/19/514285619.db2.gz KQCQRPZYWYOXPW-TXEJJXNPSA-N 1 0 357.357 2.531 20 5 FFBDRO COCC(=O)N1CCC([NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000417310722 514286527 /nfs/dbraw/zinc/28/65/27/514286527.db2.gz KOXJKLRWYGBYTG-SFHVURJKSA-N 1 0 361.442 2.589 20 5 FFBDRO C[N@@H+]1CCCN(CCC[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000417309642 514287487 /nfs/dbraw/zinc/28/74/87/514287487.db2.gz JBHWEQFMQWANNI-HXUWFJFHSA-N 1 0 360.502 2.980 20 5 FFBDRO O=C(NC[C@H]1CCC[N@H+]1CCCO)c1cc2ccccc2c2cccnc12 ZINC000452343042 514293500 /nfs/dbraw/zinc/29/35/00/514293500.db2.gz ANGWZCRUPJGFFJ-QGZVFWFLSA-N 1 0 363.461 2.965 20 5 FFBDRO CSc1ccc(C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000423934483 514294878 /nfs/dbraw/zinc/29/48/78/514294878.db2.gz VWGJTLUIOBGENI-LSDHHAIUSA-N 1 0 357.435 2.802 20 5 FFBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N(C)[C@@H](C[NH3+])C3CC3)cc2[N+](=O)[O-])C1 ZINC000423943260 514299374 /nfs/dbraw/zinc/29/93/74/514299374.db2.gz COSXDKCVHNKLDL-KSMMKXTCSA-N 1 0 374.485 2.886 20 5 FFBDRO COc1cccc(C(=O)Nc2ncc(C3CC[NH2+]CC3)s2)c1[N+](=O)[O-] ZINC000423945842 514300469 /nfs/dbraw/zinc/30/04/69/514300469.db2.gz IWMXMEAFZBABDQ-UHFFFAOYSA-N 1 0 362.411 2.779 20 5 FFBDRO C[C@H]1CCCN(c2ccc(C(=O)N(C)[C@@H](C[NH3+])C3CC3)cc2[N+](=O)[O-])C1 ZINC000423947679 514302370 /nfs/dbraw/zinc/30/23/70/514302370.db2.gz KBAFJEXVCHIOPW-UGSOOPFHSA-N 1 0 360.458 2.640 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N[C@@H]3CC[NH2+]CC3(C)C)cc2[N+](=O)[O-])CC1 ZINC000449692699 514308600 /nfs/dbraw/zinc/30/86/00/514308600.db2.gz BFLFFDAJEUUPLF-GOSISDBHSA-N 1 0 374.485 2.949 20 5 FFBDRO CC1(C)C[NH2+]CC[C@H]1NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000449696146 514309841 /nfs/dbraw/zinc/30/98/41/514309841.db2.gz HJLNEBNZZHTQTR-CQSZACIVSA-N 1 0 360.439 2.836 20 5 FFBDRO [NH3+]C[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CCCC1 ZINC000423961934 514311015 /nfs/dbraw/zinc/31/10/15/514311015.db2.gz OIXFRGRXAURBMS-CQSZACIVSA-N 1 0 360.439 2.966 20 5 FFBDRO [NH3+]CC[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(F)(F)F ZINC000449716972 514320277 /nfs/dbraw/zinc/32/02/77/514320277.db2.gz HLBJCTWEYATRQV-SECBINFHSA-N 1 0 359.226 2.623 20 5 FFBDRO CCc1ccc(C(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)cc1[N+](=O)[O-] ZINC000423993946 514326706 /nfs/dbraw/zinc/32/67/06/514326706.db2.gz BMJPGYFIDZIIKR-SJLPKXTDSA-N 1 0 361.442 2.516 20 5 FFBDRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000424003357 514333523 /nfs/dbraw/zinc/33/35/23/514333523.db2.gz PPTOZTNZPMIFGK-JKSUJKDBSA-N 1 0 367.833 2.607 20 5 FFBDRO [NH3+][C@@H]1CCO[C@H](C2CCN(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])CC2)C1 ZINC000424011994 514339495 /nfs/dbraw/zinc/33/94/95/514339495.db2.gz NYUGXCWTFRWKES-CJNGLKHVSA-N 1 0 367.833 2.607 20 5 FFBDRO [NH3+][C@@H]1CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC[C@H]1c1ccc(F)cc1 ZINC000424031391 514348951 /nfs/dbraw/zinc/34/89/51/514348951.db2.gz ATWFYUIIGVOMSA-GOEBONIOSA-N 1 0 361.348 2.830 20 5 FFBDRO [NH3+][C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC[C@H]1c1ccc(F)cc1 ZINC000424042349 514355811 /nfs/dbraw/zinc/35/58/11/514355811.db2.gz KXOGZCBIMDPQMB-DLBZAZTESA-N 1 0 361.348 2.830 20 5 FFBDRO O=C(NCC[C@@H]1CCC[NH2+]C1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414943746 514368157 /nfs/dbraw/zinc/36/81/57/514368157.db2.gz FVCFBLNKHKDNCG-JTQLQIEISA-N 1 0 358.345 2.707 20 5 FFBDRO O=C(NCCC1=CC[NH2+]CC1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414955422 514375799 /nfs/dbraw/zinc/37/57/99/514375799.db2.gz UGZVLPZWGMAGIZ-UHFFFAOYSA-N 1 0 356.329 2.628 20 5 FFBDRO CC[C@@H]1C[NH+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C[C@@H](CC)O1 ZINC000420964266 514404830 /nfs/dbraw/zinc/40/48/30/514404830.db2.gz WNMXSFHFFOMJKT-ZIAGYGMSSA-N 1 0 365.430 2.821 20 5 FFBDRO COc1cc(C[NH2+][C@@H]2CC[C@H]2O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000424204571 514415143 /nfs/dbraw/zinc/41/51/43/514415143.db2.gz TVIDBLVUSYBIOC-IAGOWNOFSA-N 1 0 358.394 2.795 20 5 FFBDRO COc1ccc(C[NH2+][C@@H]2CC[C@H]2O)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000424205806 514415733 /nfs/dbraw/zinc/41/57/33/514415733.db2.gz VHZQBUIBGBHQOO-IAGOWNOFSA-N 1 0 358.394 2.795 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+](Cc2cccc(F)c2)C2CCCC2)c1 ZINC000438875794 514456471 /nfs/dbraw/zinc/45/64/71/514456471.db2.gz KRNQFGVWPAIGNA-SFHVURJKSA-N 1 0 362.405 2.736 20 5 FFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1 ZINC000461115394 514518979 /nfs/dbraw/zinc/51/89/79/514518979.db2.gz XDNCNQUNYSJNDX-QGZVFWFLSA-N 1 0 356.382 2.805 20 5 FFBDRO Cc1cc([C@H](C)[NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cs1 ZINC000453079968 514538796 /nfs/dbraw/zinc/53/87/96/514538796.db2.gz HJBVTNAEQKBIKI-LBPRGKRZSA-N 1 0 369.468 2.594 20 5 FFBDRO C[C@H](c1ccccc1)[C@H](O)C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000450257233 514568396 /nfs/dbraw/zinc/56/83/96/514568396.db2.gz KKERXOBOBCAAFZ-OXQOHEQNSA-N 1 0 355.438 2.881 20 5 FFBDRO C[C@@H](c1ccccc1)[C@@H](O)C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000450260841 514570091 /nfs/dbraw/zinc/57/00/91/514570091.db2.gz LFTBNINCKMNUOX-JXFKEZNVSA-N 1 0 355.438 2.881 20 5 FFBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2NC1CC[NH+](CC2CC2)CC1 ZINC000450265055 514570934 /nfs/dbraw/zinc/57/09/34/514570934.db2.gz HZZCTHVBEGWDPJ-UHFFFAOYSA-N 1 0 356.426 2.860 20 5 FFBDRO COC(=O)Cc1ccc(NCC[N@H+](C)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000450273528 514575191 /nfs/dbraw/zinc/57/51/91/514575191.db2.gz HBEQGGHFGUAIFN-UHFFFAOYSA-N 1 0 357.410 2.854 20 5 FFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCCN1CCO ZINC000453270276 514584704 /nfs/dbraw/zinc/58/47/04/514584704.db2.gz SDXSJQQYCZXBKK-JKSUJKDBSA-N 1 0 367.515 2.902 20 5 FFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]Cc2ncnn2-c2ccccc2)n1 ZINC000479464493 514595078 /nfs/dbraw/zinc/59/50/78/514595078.db2.gz OVNHKZJNAAUDKO-HOTGVXAUSA-N 1 0 367.413 2.646 20 5 FFBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000466557841 514690170 /nfs/dbraw/zinc/69/01/70/514690170.db2.gz YOPRYVOXVJZJPB-KDOFPFPSSA-N 1 0 360.458 2.699 20 5 FFBDRO O=C(C[NH2+][C@@H]1CCCC[C@H]1OC(F)F)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000502564255 514695655 /nfs/dbraw/zinc/69/56/55/514695655.db2.gz DFOGDCACTDYGEA-UKRRQHHQSA-N 1 0 369.368 2.624 20 5 FFBDRO COc1cc(C[NH2+][C@@H](CO)Cc2ccc(C)c(C)c2)c([N+](=O)[O-])cc1OC ZINC000453627749 514737183 /nfs/dbraw/zinc/73/71/83/514737183.db2.gz MSHRFHYRSCLHSX-QGZVFWFLSA-N 1 0 374.437 2.922 20 5 FFBDRO C[C@@H](CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)[N@@H+]1CCCC[C@@H]1C ZINC000479858256 514746667 /nfs/dbraw/zinc/74/66/67/514746667.db2.gz AUXVGQIPCCVPKS-GJZGRUSLSA-N 1 0 371.441 2.773 20 5 FFBDRO CCCC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000502711811 514748920 /nfs/dbraw/zinc/74/89/20/514748920.db2.gz MIJZIHRUXOYSDH-HNNXBMFYSA-N 1 0 369.487 2.836 20 5 FFBDRO CN(C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000489336274 514803730 /nfs/dbraw/zinc/80/37/30/514803730.db2.gz UELLFSYSKHNBER-GFCCVEGCSA-N 1 0 355.341 2.505 20 5 FFBDRO CC(C)[NH+]1CCN(c2cccc(NC(=O)c3ccc([N+](=O)[O-])n3C)c2)CC1 ZINC000502889668 514830755 /nfs/dbraw/zinc/83/07/55/514830755.db2.gz FFJUVCUERKWWAS-UHFFFAOYSA-N 1 0 371.441 2.716 20 5 FFBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000467047271 514876927 /nfs/dbraw/zinc/87/69/27/514876927.db2.gz RKLRRIRYOIAUQV-NHYWBVRUSA-N 1 0 372.450 2.931 20 5 FFBDRO C[NH+](C)C[C@H](NC(=O)NCCc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000498386676 514892658 /nfs/dbraw/zinc/89/26/58/514892658.db2.gz BCRYZTBSASPHNA-KRWDZBQOSA-N 1 0 374.416 2.879 20 5 FFBDRO C[C@@H]1C[N@@H+](CC2CCN(c3ccc([N+](=O)[O-])c(N)c3F)CC2)C[C@H](C)O1 ZINC000476095114 514913244 /nfs/dbraw/zinc/91/32/44/514913244.db2.gz JWTHNKSJKXOCEH-BETUJISGSA-N 1 0 366.437 2.642 20 5 FFBDRO CCCN(CC[NH+]1CCCCCC1)C(=O)c1ccc([N+](=O)[O-])c(NC)n1 ZINC000456042932 514918395 /nfs/dbraw/zinc/91/83/95/514918395.db2.gz JRMCNXUXYYZOPM-UHFFFAOYSA-N 1 0 363.462 2.760 20 5 FFBDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)s2)C1 ZINC000471538201 514921164 /nfs/dbraw/zinc/92/11/64/514921164.db2.gz HWHFRQRZUUNYMG-ZDUSSCGKSA-N 1 0 355.460 2.538 20 5 FFBDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000471576292 514935830 /nfs/dbraw/zinc/93/58/30/514935830.db2.gz BAXBGMGKNYPVKL-KBPBESRZSA-N 1 0 356.426 2.809 20 5 FFBDRO CCC[N@@H+]1CC[C@H](CNc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])C1 ZINC000480419970 514951096 /nfs/dbraw/zinc/95/10/96/514951096.db2.gz NEOGYFYPIYRDDW-CQSZACIVSA-N 1 0 371.441 2.703 20 5 FFBDRO Cc1c(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)c(=O)n(-c2ccccc2)n1C ZINC000480457976 514965669 /nfs/dbraw/zinc/96/56/69/514965669.db2.gz AWDJWYUUQZTPLD-UHFFFAOYSA-N 1 0 366.421 2.991 20 5 FFBDRO COc1cc(CN2CCCC[C@H]2CC[NH3+])c([N+](=O)[O-])cc1OC(F)F ZINC000489797584 514979353 /nfs/dbraw/zinc/97/93/53/514979353.db2.gz SKWGZSWOCHOGAJ-LBPRGKRZSA-N 1 0 359.373 2.908 20 5 FFBDRO COc1cc(C[NH2+][C@@H]2CC[C@@H](OC)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000471796199 515013193 /nfs/dbraw/zinc/01/31/93/515013193.db2.gz CQGWVTAACZNJER-VXGBXAGGSA-N 1 0 360.357 2.904 20 5 FFBDRO Cn1cnc([N+](=O)[O-])c1CN1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000471845460 515029714 /nfs/dbraw/zinc/02/97/14/515029714.db2.gz LLXGUJIOMYQOIB-DLBZAZTESA-N 1 0 357.458 2.500 20 5 FFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](CO)Cc1ccccc1 ZINC000480671693 515038088 /nfs/dbraw/zinc/03/80/88/515038088.db2.gz NTDYSVQEOVGZOF-WMLDXEAASA-N 1 0 357.410 2.505 20 5 FFBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000489946953 515043191 /nfs/dbraw/zinc/04/31/91/515043191.db2.gz RGJWHKVRAFUAGL-DAYGRLMNSA-N 1 0 360.458 2.509 20 5 FFBDRO CC[NH+](CC)CCOc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000485471447 515053600 /nfs/dbraw/zinc/05/36/00/515053600.db2.gz PMSAXNJMLDOYBB-UHFFFAOYSA-N 1 0 360.414 2.574 20 5 FFBDRO CC[NH+](CC)C[C@H](C)NC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000490033222 515076035 /nfs/dbraw/zinc/07/60/35/515076035.db2.gz UPIOKONFHKMEFX-NSHDSACASA-N 1 0 355.460 2.785 20 5 FFBDRO O=[N+]([O-])c1cncc(Br)c1NC1CC([NH+]2CCCCC2)C1 ZINC000480839315 515102051 /nfs/dbraw/zinc/10/20/51/515102051.db2.gz OUBFUJJYSQKYCF-UHFFFAOYSA-N 1 0 355.236 2.603 20 5 FFBDRO COCCO[C@H]1COCC[C@H]1[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000485686420 515141079 /nfs/dbraw/zinc/14/10/79/515141079.db2.gz JOUQXHPEAGIDCU-AEFFLSMTSA-N 1 0 352.431 2.628 20 5 FFBDRO CC(C)[NH+](CCN(C)C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)C(C)C ZINC000504101941 515219378 /nfs/dbraw/zinc/21/93/78/515219378.db2.gz DMTIDIRHRVVGPG-UHFFFAOYSA-N 1 0 373.457 2.971 20 5 FFBDRO CNc1c(C(=O)NCc2cccc(OCC[NH+](C)C)c2)cccc1[N+](=O)[O-] ZINC000462990526 515323402 /nfs/dbraw/zinc/32/34/02/515323402.db2.gz SCYAHOMNCRNRPF-UHFFFAOYSA-N 1 0 372.425 2.507 20 5 FFBDRO C[NH+]1CCC(CCO)(NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000472612487 515337229 /nfs/dbraw/zinc/33/72/29/515337229.db2.gz MKJWBQMDARFSMG-UHFFFAOYSA-N 1 0 359.426 2.791 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CC=C(c3ccc(O)cc3)CC2)c1 ZINC000477174454 515357750 /nfs/dbraw/zinc/35/77/50/515357750.db2.gz HTUBDXDOFACDQK-IBGZPJMESA-N 1 0 370.405 2.829 20 5 FFBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000468459452 515368900 /nfs/dbraw/zinc/36/89/00/515368900.db2.gz ILKYCMVTPBKMBI-MRXNPFEDSA-N 1 0 372.425 2.699 20 5 FFBDRO CC(C)(CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)C[NH+]1CCCC1 ZINC000481582143 515389902 /nfs/dbraw/zinc/38/99/02/515389902.db2.gz QLVDPUMEQQXHRK-UHFFFAOYSA-N 1 0 371.441 2.632 20 5 FFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCCN1CCOCC1 ZINC000504922216 515409525 /nfs/dbraw/zinc/40/95/25/515409525.db2.gz ZFUUGFMGCFEFDB-OAHLLOKOSA-N 1 0 353.488 2.777 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)c2ccccc2)c1 ZINC000491305708 515411784 /nfs/dbraw/zinc/41/17/84/515411784.db2.gz NBBURVUGKYSVHO-KBXCAEBGSA-N 1 0 360.435 2.709 20 5 FFBDRO CCc1n[nH]c(C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC000505292618 515497764 /nfs/dbraw/zinc/49/77/64/515497764.db2.gz XFIRQEMTNNKCFG-UHFFFAOYSA-N 1 0 363.462 2.609 20 5 FFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)CCC[NH+]1CCCC1 ZINC000499913869 515506812 /nfs/dbraw/zinc/50/68/12/515506812.db2.gz PZRMGHJWMIZJKG-CYBMUJFWSA-N 1 0 368.865 2.993 20 5 FFBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@H](c2ccccc2C)[NH+](C)C)n1 ZINC000510552391 515582831 /nfs/dbraw/zinc/58/28/31/515582831.db2.gz QGQOCBZFYQATLN-SUMWQHHRSA-N 1 0 359.430 2.541 20 5 FFBDRO Cc1cc(Nc2c([N+](=O)[O-])ncn2C)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000477803761 515597236 /nfs/dbraw/zinc/59/72/36/515597236.db2.gz ASZUOZOEINSXEM-UHFFFAOYSA-N 1 0 358.446 2.911 20 5 FFBDRO CC(C)(C[NH+]1CCCC1)NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000457048498 515607793 /nfs/dbraw/zinc/60/77/93/515607793.db2.gz IXHMOGKGDMMNCH-UHFFFAOYSA-N 1 0 372.425 2.512 20 5 FFBDRO CC[C@@H]1C[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C[C@@H]1N1CCOCC1 ZINC000493365547 515625816 /nfs/dbraw/zinc/62/58/16/515625816.db2.gz QUNSEXUJHGFBHA-DYVFJYSZSA-N 1 0 353.850 2.791 20 5 FFBDRO COc1cc(CN[C@@H]2CC[N@H+](C)[C@@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000493707245 515658129 /nfs/dbraw/zinc/65/81/29/515658129.db2.gz OACIBGFAHWKVOP-WCQYABFASA-N 1 0 373.400 2.820 20 5 FFBDRO O=C(NCCC[NH+]1CCCC1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000510813446 515677726 /nfs/dbraw/zinc/67/77/26/515677726.db2.gz HOCKFXOIBQYLCQ-UHFFFAOYSA-N 1 0 358.345 2.804 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2noc(N3CCC(C[NH+]4CCCC4)CC3)n2)cc1 ZINC000486957594 515698318 /nfs/dbraw/zinc/69/83/18/515698318.db2.gz PJGDYKRKODKGPT-UHFFFAOYSA-N 1 0 357.414 2.957 20 5 FFBDRO C[C@H]1CN(C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@@H](C)C[NH2+]1 ZINC000505857072 515699179 /nfs/dbraw/zinc/69/91/79/515699179.db2.gz NQPKRAIWSCZVEE-QWRGUYRKSA-N 1 0 374.363 2.624 20 5 FFBDRO CC(C)c1ccc(C[NH2+][C@@H]2CCC[C@@H]2CNS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000500472096 515729519 /nfs/dbraw/zinc/72/95/19/515729519.db2.gz SGDGTQWIPACOCB-GDBMZVCRSA-N 1 0 369.487 2.526 20 5 FFBDRO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])n1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000487294883 515819127 /nfs/dbraw/zinc/81/91/27/515819127.db2.gz DIVWMEMFYSOYHX-ZBFHGGJFSA-N 1 0 356.426 2.574 20 5 FFBDRO Cc1ccc([C@H](C)[NH2+]CCC(=O)NCC(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000511200783 515826146 /nfs/dbraw/zinc/82/61/46/515826146.db2.gz VDKGZYLQFQRDLK-HNNXBMFYSA-N 1 0 369.421 2.943 20 5 FFBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000511531531 515936341 /nfs/dbraw/zinc/93/63/41/515936341.db2.gz ZCBCDKMMHDRFFJ-CVEARBPZSA-N 1 0 362.474 2.899 20 5 FFBDRO C[C@@H](CO)[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])CC1CCC1 ZINC000483143799 515949252 /nfs/dbraw/zinc/94/92/52/515949252.db2.gz AYITVGQAVLIIOA-NSHDSACASA-N 1 0 355.822 2.670 20 5 FFBDRO Cc1ccc(CN(CCO)CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000483195177 515978847 /nfs/dbraw/zinc/97/88/47/515978847.db2.gz IKLOILRELCSFSQ-UHFFFAOYSA-N 1 0 367.789 2.583 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@H]1C[NH+](C)C ZINC000464925369 516017842 /nfs/dbraw/zinc/01/78/42/516017842.db2.gz IUHGHZWXEHFKCY-AAEUAGOBSA-N 1 0 355.822 2.568 20 5 FFBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000511901075 516073958 /nfs/dbraw/zinc/07/39/58/516073958.db2.gz FZDSUKWQMMFINP-GOSISDBHSA-N 1 0 360.458 2.796 20 5 FFBDRO CC(C)[C@H]1CN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1C ZINC000488083090 516111000 /nfs/dbraw/zinc/11/10/00/516111000.db2.gz YVZUBHVWHNWPAX-MLGOLLRUSA-N 1 0 368.865 2.847 20 5 FFBDRO C[C@H](CO)[N@@H+]1CCCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000470131421 516133931 /nfs/dbraw/zinc/13/39/31/516133931.db2.gz GMQKFBJZWNDWAU-OAHLLOKOSA-N 1 0 359.426 2.743 20 5 FFBDRO CCOC(=O)Cn1nc(C)c(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)c1C ZINC000483634732 516151743 /nfs/dbraw/zinc/15/17/43/516151743.db2.gz HKVAXMMEJCNTDV-UHFFFAOYSA-N 1 0 360.414 2.569 20 5 FFBDRO CC(C)C[C@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])[NH2+][C@H](C)c1ccccc1 ZINC000488390883 516212892 /nfs/dbraw/zinc/21/28/92/516212892.db2.gz NCKFLHNXHSGLLO-UKRRQHHQSA-N 1 0 359.430 2.813 20 5 FFBDRO O=C(c1ccc2c(c1)C[NH2+]C2)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000470366356 516222241 /nfs/dbraw/zinc/22/22/41/516222241.db2.gz WXQWKKQLFXTQKI-UHFFFAOYSA-N 1 0 367.405 2.882 20 5 FFBDRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000465707895 516234836 /nfs/dbraw/zinc/23/48/36/516234836.db2.gz LGTQBODUFBBOHX-GOSISDBHSA-N 1 0 370.453 2.609 20 5 FFBDRO CC[C@H](C)[C@@H]([NH3+])C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000496224823 516245484 /nfs/dbraw/zinc/24/54/84/516245484.db2.gz UVEUOEBMZUKONW-TVQRCGJNSA-N 1 0 362.352 2.515 20 5 FFBDRO CSC1(CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC[NH+](C)CC1 ZINC000460984900 516297220 /nfs/dbraw/zinc/29/72/20/516297220.db2.gz WXVGOEVMEAOALX-UHFFFAOYSA-N 1 0 362.455 2.633 20 5 FFBDRO C[N@@H+]1C[C@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)[C@@H](c2ccccc2)C1 ZINC000497402525 516320079 /nfs/dbraw/zinc/32/00/79/516320079.db2.gz UOBZKZQLIIBBQW-WBVHZDCISA-N 1 0 364.405 2.904 20 5 FFBDRO C[N@@H+]1C[C@@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)[C@@H](c2ccccc2)C1 ZINC000497401298 516320087 /nfs/dbraw/zinc/32/00/87/516320087.db2.gz ZBLNGMAUZWOIOI-IEBWSBKVSA-N 1 0 364.405 2.904 20 5 FFBDRO C[N@@H+]1C[C@H](NC(=O)CSc2ccc([N+](=O)[O-])cc2)[C@H](c2ccccc2)C1 ZINC000497428002 516322136 /nfs/dbraw/zinc/32/21/36/516322136.db2.gz HRUCCMQVDSJMKU-ROUUACIJSA-N 1 0 371.462 2.901 20 5 FFBDRO Cc1c[nH+]ccc1N1CCC(C(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000535447053 516359315 /nfs/dbraw/zinc/35/93/15/516359315.db2.gz OARGGOXEXCNMTN-UHFFFAOYSA-N 1 0 368.437 2.874 20 5 FFBDRO COc1cc(CNC[C@@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000543705693 516378327 /nfs/dbraw/zinc/37/83/27/516378327.db2.gz USQIYJDINMMJMV-LBPRGKRZSA-N 1 0 373.400 2.679 20 5 FFBDRO C[C@H]([NH2+][C@H]1CCN(C)[C@@H]1c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000550678862 516379665 /nfs/dbraw/zinc/37/96/65/516379665.db2.gz WPNORCQKDHCOHC-ZOCIIQOWSA-N 1 0 368.437 2.957 20 5 FFBDRO COc1ccc(C[NH+](C)C)cc1NC(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000523064764 516381129 /nfs/dbraw/zinc/38/11/29/516381129.db2.gz AXHHYTDQHNJXOC-UHFFFAOYSA-N 1 0 359.382 2.926 20 5 FFBDRO CCN(CC[NH+]1CCCCCC1)c1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC000557749408 516418380 /nfs/dbraw/zinc/41/83/80/516418380.db2.gz YRSKLKIGPKSTHU-UHFFFAOYSA-N 1 0 364.446 2.787 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCC2CC[NH+](CCC(C)C)CC2)n1 ZINC000561235884 516470965 /nfs/dbraw/zinc/47/09/65/516470965.db2.gz PERBTPDXYYRUGB-UHFFFAOYSA-N 1 0 364.446 2.946 20 5 FFBDRO COc1ccc(NC(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000543887969 516481703 /nfs/dbraw/zinc/48/17/03/516481703.db2.gz QGKMRVSPPHDOLG-BETUJISGSA-N 1 0 350.419 2.988 20 5 FFBDRO COc1ccc(NC(=O)C[NH2+][C@H](C)c2ccc3n[nH]cc3c2)c([N+](=O)[O-])c1 ZINC000513210473 516523968 /nfs/dbraw/zinc/52/39/68/516523968.db2.gz QAXXTKQXJFQGLJ-LLVKDONJSA-N 1 0 369.381 2.769 20 5 FFBDRO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3ccnc(N)c3[N+](=O)[O-])cc2)C1 ZINC000547730558 516524311 /nfs/dbraw/zinc/52/43/11/516524311.db2.gz ZOHSRBBGNAZIJB-CYBMUJFWSA-N 1 0 369.425 2.887 20 5 FFBDRO C[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccc2n[nH]cc2c1 ZINC000513211581 516524798 /nfs/dbraw/zinc/52/47/98/516524798.db2.gz YEEPHBYMKCZABA-WFASDCNBSA-N 1 0 356.382 2.562 20 5 FFBDRO C[N@H+](CCC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCCCC1 ZINC000547736596 516529085 /nfs/dbraw/zinc/52/90/85/516529085.db2.gz OYPWAKQXUOFNSM-UHFFFAOYSA-N 1 0 359.430 2.742 20 5 FFBDRO CC[C@H]([NH2+][C@H]1CCCN(Cc2nccn2C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000544017196 516540805 /nfs/dbraw/zinc/54/08/05/516540805.db2.gz TWVNPONNMILBJW-IRXDYDNUSA-N 1 0 371.441 2.560 20 5 FFBDRO CC[NH+](CC)CCOc1ccc(CNC(=O)c2ccc([N+](=O)[O-])n2C)cc1 ZINC000518250649 516589977 /nfs/dbraw/zinc/58/99/77/516589977.db2.gz WVPZHKSEZROYFW-UHFFFAOYSA-N 1 0 374.441 2.584 20 5 FFBDRO CC[C@@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)C1CCOCC1 ZINC000540526023 516600671 /nfs/dbraw/zinc/60/06/71/516600671.db2.gz OTVAXNYJXFZXNZ-OAHLLOKOSA-N 1 0 365.430 2.727 20 5 FFBDRO CCN(CC[NH+]1CCCCCC1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000558133098 516609641 /nfs/dbraw/zinc/60/96/41/516609641.db2.gz BZARTVJFTAZTAQ-KRWDZBQOSA-N 1 0 365.474 2.532 20 5 FFBDRO COc1ccccc1C[C@@H](C)[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000544147276 516613686 /nfs/dbraw/zinc/61/36/86/516613686.db2.gz YSRSHCDXRVZLEY-WBVHZDCISA-N 1 0 374.437 2.906 20 5 FFBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000558145448 516615517 /nfs/dbraw/zinc/61/55/17/516615517.db2.gz AJWKZVBSXMSQCM-ZWKOTPCHSA-N 1 0 371.437 2.934 20 5 FFBDRO C[N@@H+]1CC[C@H](NC(=O)NCCc2ccccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000548094719 516759537 /nfs/dbraw/zinc/75/95/37/516759537.db2.gz OJWUUYCITFPYDK-HKUYNNGSSA-N 1 0 368.437 2.882 20 5 FFBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000540998254 516821507 /nfs/dbraw/zinc/82/15/07/516821507.db2.gz NOEIWEXTIFKZRN-NEPJUHHUSA-N 1 0 357.357 2.799 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C1CCN(C(=O)CC(F)(F)F)CC1 ZINC000544613265 516836145 /nfs/dbraw/zinc/83/61/45/516836145.db2.gz ZMAXZELHSRGPSH-UHFFFAOYSA-N 1 0 359.348 2.936 20 5 FFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000555231723 516840737 /nfs/dbraw/zinc/84/07/37/516840737.db2.gz YFTVSWTUGQZKKJ-MRXNPFEDSA-N 1 0 362.817 2.984 20 5 FFBDRO C[C@H](CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)[N@@H+]1CCCC[C@H]1C ZINC000519098924 516883948 /nfs/dbraw/zinc/88/39/48/516883948.db2.gz AMUZZHSQNJOKRY-HUUCEWRRSA-N 1 0 371.441 2.773 20 5 FFBDRO CC[NH+](CC)[C@@H](CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-])CC(C)C ZINC000544714058 516889543 /nfs/dbraw/zinc/88/95/43/516889543.db2.gz YXNVLHPICQBACD-MRXNPFEDSA-N 1 0 371.503 2.771 20 5 FFBDRO Cc1cc(NCCCC[NH+]2CCN(c3ncccn3)CC2)ccc1[N+](=O)[O-] ZINC000514191109 516896990 /nfs/dbraw/zinc/89/69/90/516896990.db2.gz VOFPRYKCIUUZDO-UHFFFAOYSA-N 1 0 370.457 2.708 20 5 FFBDRO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000555415192 516918353 /nfs/dbraw/zinc/91/83/53/516918353.db2.gz JEUGQODXSNZHJS-KKBVYLPWSA-N 1 0 359.426 2.859 20 5 FFBDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532398384 516953521 /nfs/dbraw/zinc/95/35/21/516953521.db2.gz OMJSCJYGEXYFKH-HUUCEWRRSA-N 1 0 368.437 2.876 20 5 FFBDRO O=C(C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])N[C@H]1CCOc2ccccc21 ZINC000519544347 517038309 /nfs/dbraw/zinc/03/83/09/517038309.db2.gz FMNUAQXXLWFYAD-SJORKVTESA-N 1 0 367.405 2.812 20 5 FFBDRO C[N@H+](CCc1cccc(NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)c1)C1CC1 ZINC000537129967 517049208 /nfs/dbraw/zinc/04/92/08/517049208.db2.gz PWRKJPWXLAHTAU-UHFFFAOYSA-N 1 0 371.441 2.802 20 5 FFBDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000562399489 517082001 /nfs/dbraw/zinc/08/20/01/517082001.db2.gz VNOGPJVLRHMQFD-OKILXGFUSA-N 1 0 371.441 2.726 20 5 FFBDRO Cc1cc(N2CCC[C@@H]([NH2+][C@@H]3CCc4c3cccc4[N+](=O)[O-])C2)n(C)n1 ZINC000519643228 517100977 /nfs/dbraw/zinc/10/09/77/517100977.db2.gz GPVCIJDWTCAORW-RHSMWYFYSA-N 1 0 355.442 2.883 20 5 FFBDRO COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000537273446 517119541 /nfs/dbraw/zinc/11/95/41/517119541.db2.gz JMOHNZSZJFOMPU-SCLBCKFNSA-N 1 0 363.414 2.553 20 5 FFBDRO CN(C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000548692511 517148187 /nfs/dbraw/zinc/14/81/87/517148187.db2.gz PFQWEZQHMPMGQW-MRXNPFEDSA-N 1 0 361.445 2.990 20 5 FFBDRO COc1cc(C[N@@H+]2CCC[C@H]([C@@H](C)O)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000541872920 517265913 /nfs/dbraw/zinc/26/59/13/517265913.db2.gz IENBFACPVKVBML-NEPJUHHUSA-N 1 0 374.384 2.840 20 5 FFBDRO COc1cc(C[N@@H+]2CCC[C@@H]([C@H](C)O)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000541872921 517266267 /nfs/dbraw/zinc/26/62/67/517266267.db2.gz IENBFACPVKVBML-NWDGAFQWSA-N 1 0 374.384 2.840 20 5 FFBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000515240594 517268221 /nfs/dbraw/zinc/26/82/21/517268221.db2.gz PXDIMIBTCPNJKR-YJBOKZPZSA-N 1 0 360.458 2.872 20 5 FFBDRO COc1ccc(CNC(=O)NC[C@H](C)[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000520071508 517269846 /nfs/dbraw/zinc/26/98/46/517269846.db2.gz NZPOKKIKPXZOHH-AWEZNQCLSA-N 1 0 364.446 2.523 20 5 FFBDRO O=C(CN1CCCC[C@H]1[C@H]1CCC[NH2+]1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000520206403 517299213 /nfs/dbraw/zinc/29/92/13/517299213.db2.gz HJQOALMPZCNCDI-CVEARBPZSA-N 1 0 366.849 2.793 20 5 FFBDRO COc1ccc(C[NH2+]CC(C)(C)N2CCC(OC)CC2)cc1[N+](=O)[O-] ZINC000520231057 517311297 /nfs/dbraw/zinc/31/12/97/517311297.db2.gz VISDLVANLVCWRP-UHFFFAOYSA-N 1 0 351.447 2.582 20 5 FFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000526046918 517311904 /nfs/dbraw/zinc/31/19/04/517311904.db2.gz HGQUUPHZVPVQLI-OUOSUHLLSA-N 1 0 352.456 2.944 20 5 FFBDRO C[NH+]1CCC2(CCCN2C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CC1 ZINC000541991170 517327993 /nfs/dbraw/zinc/32/79/93/517327993.db2.gz GMPVHEJCRJOMJW-UHFFFAOYSA-N 1 0 369.368 2.897 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N(C)CCC[N@H+](C)Cc1ccco1 ZINC000552758100 517382861 /nfs/dbraw/zinc/38/28/61/517382861.db2.gz SVPRWVBYPWQEMN-UHFFFAOYSA-N 1 0 361.398 2.791 20 5 FFBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000533375912 517432404 /nfs/dbraw/zinc/43/24/04/517432404.db2.gz LQXFJNDPMQBMST-VBQJREDUSA-N 1 0 360.458 2.531 20 5 FFBDRO Cn1ccnc1[C@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)c1ccc(Cl)cc1 ZINC000515780116 517472434 /nfs/dbraw/zinc/47/24/34/517472434.db2.gz UZCUFBDUHPUCIK-CQSZACIVSA-N 1 0 359.773 2.829 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000542323409 517504198 /nfs/dbraw/zinc/50/41/98/517504198.db2.gz VFEKVBTVDCHGCI-OAHLLOKOSA-N 1 0 369.487 2.754 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CCc1ccc(Cl)cc1 ZINC000556609450 517517594 /nfs/dbraw/zinc/51/75/94/517517594.db2.gz OGWFEACLAXPBTK-HNNXBMFYSA-N 1 0 350.802 2.820 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CC2CCC(F)(F)CC2)cc1 ZINC000563011239 517581778 /nfs/dbraw/zinc/58/17/78/517581778.db2.gz LVYBQASTOXBQDT-UHFFFAOYSA-N 1 0 362.398 2.784 20 5 FFBDRO COc1ccc(C(C)(C)C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000516176068 517604342 /nfs/dbraw/zinc/60/43/42/517604342.db2.gz ZRNBGRMYASVZPQ-KRWDZBQOSA-N 1 0 374.437 2.911 20 5 FFBDRO C[C@H](CNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000533823973 517629401 /nfs/dbraw/zinc/62/94/01/517629401.db2.gz CKCFWNCEUNXKAI-HUUCEWRRSA-N 1 0 360.458 2.783 20 5 FFBDRO CS[C@H]1CN(c2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]1[NH+](C)C ZINC000533928431 517672552 /nfs/dbraw/zinc/67/25/52/517672552.db2.gz QQUMIOFKPNGYRY-CVEARBPZSA-N 1 0 373.482 2.842 20 5 FFBDRO C[C@H]([NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])C1(S(C)(=O)=O)CC1 ZINC000556925309 517751405 /nfs/dbraw/zinc/75/14/05/517751405.db2.gz PKOJSYBXHAWJEU-DZKIICNBSA-N 1 0 366.483 2.861 20 5 FFBDRO Cc1[nH+]c2c(n1[C@H]1CCN(c3cccc(C(N)=O)c3[N+](=O)[O-])C1)CCCC2 ZINC000553540867 517770854 /nfs/dbraw/zinc/77/08/54/517770854.db2.gz YDQFXZLFVXLEJH-ZDUSSCGKSA-N 1 0 369.425 2.529 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]Cc2nc3ccccc3s2)c1 ZINC000560481538 517836718 /nfs/dbraw/zinc/83/67/18/517836718.db2.gz DEDXXUROSOYNOX-CYBMUJFWSA-N 1 0 359.407 2.734 20 5 FFBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000516826135 517858409 /nfs/dbraw/zinc/85/84/09/517858409.db2.gz OROYAWHIIAEYGA-SCLBCKFNSA-N 1 0 373.457 2.600 20 5 FFBDRO COc1ccccc1N1CC[C@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1=O ZINC000516878061 517890010 /nfs/dbraw/zinc/89/00/10/517890010.db2.gz WEUIJRCWWROQCG-HOTGVXAUSA-N 1 0 367.405 2.986 20 5 FFBDRO C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])cn2C)CC[N@@H+]1Cc1ccccc1 ZINC000530709896 517933561 /nfs/dbraw/zinc/93/35/61/517933561.db2.gz KJSDWHRIPIZBGT-GOEBONIOSA-N 1 0 356.426 2.716 20 5 FFBDRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000534722127 518011675 /nfs/dbraw/zinc/01/16/75/518011675.db2.gz OYRNAOGJJXENFK-QGZVFWFLSA-N 1 0 360.458 2.511 20 5 FFBDRO COC(=O)c1cc(C)nc(NCCCC[N@@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000557492703 518036223 /nfs/dbraw/zinc/03/62/23/518036223.db2.gz SHLROMKAOSLWDY-AWEZNQCLSA-N 1 0 364.446 2.573 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)c1 ZINC000534797002 518036526 /nfs/dbraw/zinc/03/65/26/518036526.db2.gz IWCBICILMYULKM-HZPDHXFCSA-N 1 0 357.410 2.651 20 5 FFBDRO CC(C)Cc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])nn2C)[NH+](C)C)cc1 ZINC000554084088 518054428 /nfs/dbraw/zinc/05/44/28/518054428.db2.gz NDIYBVHQTPVFTA-KRWDZBQOSA-N 1 0 373.457 2.560 20 5 FFBDRO CN1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cn2)[C@H]1c1ccc(Cl)cc1 ZINC000534858658 518060341 /nfs/dbraw/zinc/06/03/41/518060341.db2.gz ISGMLUYABZYGNS-GOEBONIOSA-N 1 0 360.801 2.818 20 5 FFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@@H]2CCCS(=O)(=O)C2)o1 ZINC000539515535 518085106 /nfs/dbraw/zinc/08/51/06/518085106.db2.gz JMZAKJBEWHSZFV-GFCCVEGCSA-N 1 0 350.396 2.522 20 5 FFBDRO Cc1cccc2ncc(C[N@@H+]3CC[C@@H](Nc4ccc([N+](=O)[O-])cn4)C3)n21 ZINC000539836389 518170707 /nfs/dbraw/zinc/17/07/07/518170707.db2.gz ASRWQPKJPBSBEY-CQSZACIVSA-N 1 0 352.398 2.632 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCc2ccccc2[C@H]1C[NH3+] ZINC000572483594 518213677 /nfs/dbraw/zinc/21/36/77/518213677.db2.gz GXOFOIARYDCOIW-LJQANCHMSA-N 1 0 368.437 2.790 20 5 FFBDRO Cc1ccc2c(c1)CC[C@@H]2[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000563912212 518226838 /nfs/dbraw/zinc/22/68/38/518226838.db2.gz RSIJKWVENSGLMB-SFHVURJKSA-N 1 0 360.435 2.954 20 5 FFBDRO CC(C)[N@@H+]1CC[C@@H](CNc2cc(CN3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000584331052 518284610 /nfs/dbraw/zinc/28/46/10/518284610.db2.gz AOTCZYHJOLPYCO-KRWDZBQOSA-N 1 0 362.474 2.569 20 5 FFBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H]1CN(c2ccccc2)CCO1 ZINC000569821836 518311778 /nfs/dbraw/zinc/31/17/78/518311778.db2.gz DNGVAXWVQJEGKR-HXUWFJFHSA-N 1 0 355.438 2.975 20 5 FFBDRO COc1ccc(OCCOc2ccc3c(c2)OCC[NH2+]C3)c([N+](=O)[O-])c1 ZINC000569920158 518356086 /nfs/dbraw/zinc/35/60/86/518356086.db2.gz NPQIZLMNSZHMTG-UHFFFAOYSA-N 1 0 360.366 2.543 20 5 FFBDRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000584471026 518358476 /nfs/dbraw/zinc/35/84/76/518358476.db2.gz UKVHWJTUXKNMFJ-GOSISDBHSA-N 1 0 374.485 2.706 20 5 FFBDRO CC(C)(C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000578760378 518360888 /nfs/dbraw/zinc/36/08/88/518360888.db2.gz CZRKALZKVNGYLS-UHFFFAOYSA-N 1 0 354.350 2.547 20 5 FFBDRO C[C@@H](C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC(F)(F)F ZINC000578759912 518361319 /nfs/dbraw/zinc/36/13/19/518361319.db2.gz PCGNZZMYERPPQW-SNVBAGLBSA-N 1 0 354.350 2.547 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCOc2ccc(F)cc21 ZINC000578859609 518408080 /nfs/dbraw/zinc/40/80/80/518408080.db2.gz QZWQKYLXBHJBQB-UKRRQHHQSA-N 1 0 362.357 2.587 20 5 FFBDRO O=C(CN1CCCC[C@@H]1[C@H]1CCC[NH2+]1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000581716662 518422143 /nfs/dbraw/zinc/42/21/43/518422143.db2.gz MQEHIZISTJXEDC-UKRRQHHQSA-N 1 0 366.849 2.793 20 5 FFBDRO CC[C@H](C)[N@H+](C)CCNC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000584677003 518424252 /nfs/dbraw/zinc/42/42/52/518424252.db2.gz HHRXONDGPLHDDQ-ZDUSSCGKSA-N 1 0 361.446 2.648 20 5 FFBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000572952299 518436149 /nfs/dbraw/zinc/43/61/49/518436149.db2.gz CNPGORCFVCBFIE-ZETOZRRWSA-N 1 0 360.439 2.835 20 5 FFBDRO Cc1ccccc1O[C@H](C)C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000576272461 518512098 /nfs/dbraw/zinc/51/20/98/518512098.db2.gz YWFVUDXSSRSZSJ-NVXWUHKLSA-N 1 0 360.410 2.700 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCc2ccc3c[nH]nc3c2)n1 ZINC000585765415 518589894 /nfs/dbraw/zinc/58/98/94/518589894.db2.gz BRHHNNBAWBSKIS-DOTOQJQBSA-N 1 0 354.414 2.984 20 5 FFBDRO CN1CCO[C@H]2CC[N@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C[C@H]21 ZINC000585767607 518591357 /nfs/dbraw/zinc/59/13/57/518591357.db2.gz LSACHTBDMXOVIG-MJGOQNOKSA-N 1 0 357.410 2.760 20 5 FFBDRO CC(C)C[C@H](CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000582137955 518606641 /nfs/dbraw/zinc/60/66/41/518606641.db2.gz NDABLOJDKGMBLD-QZTJIDSGSA-N 1 0 359.474 2.984 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@H]2CCc3ccccc32)cc1 ZINC000582176588 518624848 /nfs/dbraw/zinc/62/48/48/518624848.db2.gz BIDYTMZZSKENJL-OAHLLOKOSA-N 1 0 360.435 2.688 20 5 FFBDRO O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000579343074 518636260 /nfs/dbraw/zinc/63/62/60/518636260.db2.gz LGDVKENPDDGFDJ-OAHLLOKOSA-N 1 0 357.332 2.829 20 5 FFBDRO COC[C@H](C)C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000582210674 518638916 /nfs/dbraw/zinc/63/89/16/518638916.db2.gz BMADESMOTNXXCR-SECBINFHSA-N 1 0 364.183 2.572 20 5 FFBDRO CCO[C@H]1C[C@H]([NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C12CCCC2 ZINC000582234055 518652465 /nfs/dbraw/zinc/65/24/65/518652465.db2.gz QIGJZMHGAXUEBJ-IRXDYDNUSA-N 1 0 361.442 2.885 20 5 FFBDRO Cc1cccc(C)c1CC[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000567687443 518655716 /nfs/dbraw/zinc/65/57/16/518655716.db2.gz INRYLYVIISHLEM-UHFFFAOYSA-N 1 0 362.451 2.818 20 5 FFBDRO CO[C@@]1(C)CCC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1 ZINC000579488744 518706427 /nfs/dbraw/zinc/70/64/27/518706427.db2.gz ARIFUHLARYPFDM-SFHVURJKSA-N 1 0 363.414 2.784 20 5 FFBDRO O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000579608258 518763372 /nfs/dbraw/zinc/76/33/72/518763372.db2.gz MZXNEGPIINCPLX-QGZVFWFLSA-N 1 0 368.437 2.645 20 5 FFBDRO Cc1ccc(S(=O)(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)cc1[N+](=O)[O-] ZINC000573720711 518803286 /nfs/dbraw/zinc/80/32/86/518803286.db2.gz ZVGNBGUYYMBPFQ-HNNXBMFYSA-N 1 0 357.476 2.548 20 5 FFBDRO O=C(CCN1CCOc2ccc([N+](=O)[O-])cc2C1)Nc1cccc(F)c1 ZINC000579778230 518845030 /nfs/dbraw/zinc/84/50/30/518845030.db2.gz MPLXZMVKUOBYND-UHFFFAOYSA-N 1 0 359.357 2.957 20 5 FFBDRO CS(=O)(=O)Nc1ccc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000565219325 518848314 /nfs/dbraw/zinc/84/83/14/518848314.db2.gz WLLHTHVZUZCIJB-MRXNPFEDSA-N 1 0 361.423 2.743 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N2C[C@H]([NH3+])Cc3ccccc32)cc1SC ZINC000573834326 518857610 /nfs/dbraw/zinc/85/76/10/518857610.db2.gz YVSKMRNQTUIXEH-GFCCVEGCSA-N 1 0 373.434 2.856 20 5 FFBDRO CCOc1ccc(C(=O)N2CCc3ccccc3[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000582667605 518866462 /nfs/dbraw/zinc/86/64/62/518866462.db2.gz UGXOHOTUGBRASH-KRWDZBQOSA-N 1 0 355.394 2.692 20 5 FFBDRO C[C@@H]1C[C@H](C[N@@H+]2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)CCO1 ZINC000571019502 518887700 /nfs/dbraw/zinc/88/77/00/518887700.db2.gz GJLREGDKHUZYLS-HUUCEWRRSA-N 1 0 373.457 2.798 20 5 FFBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000573941242 518911524 /nfs/dbraw/zinc/91/15/24/518911524.db2.gz YDNABWXHPYOIKL-UHFFFAOYSA-N 1 0 370.247 2.832 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])cc1SC ZINC000565357879 518915994 /nfs/dbraw/zinc/91/59/94/518915994.db2.gz GWXZUFJKSKVGHF-ZYHUDNBSSA-N 1 0 353.444 2.573 20 5 FFBDRO CCC[C@@H](O)[C@H](CO)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000579936441 518928447 /nfs/dbraw/zinc/92/84/47/518928447.db2.gz RZYQNHHCPCCYIG-JKSUJKDBSA-N 1 0 350.440 2.935 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC=C(c3cccnc3)C2)c1 ZINC000589163605 518935896 /nfs/dbraw/zinc/93/58/96/518935896.db2.gz YXVOYFXRJRMEFZ-GOSISDBHSA-N 1 0 355.394 2.519 20 5 FFBDRO COc1ccccc1OCC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000565520181 518995826 /nfs/dbraw/zinc/99/58/26/518995826.db2.gz YPELJBVQCLVOHA-LSDHHAIUSA-N 1 0 360.414 2.952 20 5 FFBDRO CSc1ccc(OC[C@H](O)C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000568367073 519002902 /nfs/dbraw/zinc/00/29/02/519002902.db2.gz FVTDVDIVWHSKDO-MRXNPFEDSA-N 1 0 362.451 2.889 20 5 FFBDRO [NH3+][C@@H]1CCO[C@H]1C1CCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000580174374 519043496 /nfs/dbraw/zinc/04/34/96/519043496.db2.gz LQBJVUZBCMCFRW-DOMZBBRYSA-N 1 0 370.247 2.690 20 5 FFBDRO C[C@@H]1COCC[N@@H+]1C1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000577384176 519054125 /nfs/dbraw/zinc/05/41/25/519054125.db2.gz RXMAAWHMVXHBMU-GFCCVEGCSA-N 1 0 355.385 2.558 20 5 FFBDRO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000568572043 519105478 /nfs/dbraw/zinc/10/54/78/519105478.db2.gz VDVBEPLBHKUPOV-NSHDSACASA-N 1 0 351.378 2.807 20 5 FFBDRO Cc1ccc(NC(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000577506218 519115759 /nfs/dbraw/zinc/11/57/59/519115759.db2.gz PKKGHCOWBPXZAS-INIZCTEOSA-N 1 0 362.430 2.622 20 5 FFBDRO CC[C@@H]1C[N@H+](C)CCN1C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000568683902 519161648 /nfs/dbraw/zinc/16/16/48/519161648.db2.gz SYTZBJRHSORTSC-CYBMUJFWSA-N 1 0 355.822 2.570 20 5 FFBDRO C[N@H+](CCNc1ncnc2cccc([N+](=O)[O-])c21)Cc1ccc(F)cc1 ZINC000568696327 519167064 /nfs/dbraw/zinc/16/70/64/519167064.db2.gz YLRFQTJXCIUGSZ-UHFFFAOYSA-N 1 0 355.373 2.643 20 5 FFBDRO CCOc1cc(C[NH2+][C@H]2CCCC[C@H]2N2CCOCC2)ccc1[N+](=O)[O-] ZINC000574512856 519190642 /nfs/dbraw/zinc/19/06/42/519190642.db2.gz NYAVZEGJECASQI-DLBZAZTESA-N 1 0 363.458 2.727 20 5 FFBDRO Cc1cccc(-c2cccc(C[NH2+]C[C@H](O)Cn3cc([N+](=O)[O-])cn3)c2)c1 ZINC000577722698 519222532 /nfs/dbraw/zinc/22/25/32/519222532.db2.gz WZMIJMFRJFGMRG-FQEVSTJZSA-N 1 0 366.421 2.917 20 5 FFBDRO C[NH+](C)CCOc1cc(C(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])ccn1 ZINC000590455144 519238640 /nfs/dbraw/zinc/23/86/40/519238640.db2.gz QDNIUMFDBQONOV-UHFFFAOYSA-N 1 0 372.425 2.595 20 5 FFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccnn1CC[NH+](C)C ZINC000590519176 519254236 /nfs/dbraw/zinc/25/42/36/519254236.db2.gz AFUUHUKKVCNNQF-OAHLLOKOSA-N 1 0 359.430 2.560 20 5 FFBDRO CC[NH+](CC)[C@H](CNc1nccc(C(=O)OC)c1[N+](=O)[O-])c1ccco1 ZINC000590574860 519271842 /nfs/dbraw/zinc/27/18/42/519271842.db2.gz HTXAZTZCXHTUFA-CYBMUJFWSA-N 1 0 362.386 2.864 20 5 FFBDRO CN(CCC[N@H+](C)Cc1ccncc1)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000580673164 519295197 /nfs/dbraw/zinc/29/51/97/519295197.db2.gz VVIUQTNELSABFT-UHFFFAOYSA-N 1 0 356.426 2.513 20 5 FFBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+][C@H]1CCO[C@H](c3ccncc3)C1)OCCO2 ZINC000590660231 519305946 /nfs/dbraw/zinc/30/59/46/519305946.db2.gz QYPYQVGHMLRLBG-RDJZCZTQSA-N 1 0 371.393 2.771 20 5 FFBDRO C[C@@H]1CSCC[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000571854743 519308989 /nfs/dbraw/zinc/30/89/89/519308989.db2.gz HPNMAMRKNWNPGF-LBPRGKRZSA-N 1 0 351.428 2.578 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2csc(N3CC[NH+]([C@H]4CCC[C@H]4O)CC3)n2)cc1 ZINC000590688581 519317776 /nfs/dbraw/zinc/31/77/76/519317776.db2.gz QRBUSXCUINUTLA-DLBZAZTESA-N 1 0 374.466 2.754 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2csc(NC3CC[NH+]([C@H]4CCOC4)CC3)n2)cc1 ZINC000590694596 519321059 /nfs/dbraw/zinc/32/10/59/519321059.db2.gz SKGUAOKAHGIXKB-INIZCTEOSA-N 1 0 374.466 2.805 20 5 FFBDRO COC1CCC(CC[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000574805950 519341608 /nfs/dbraw/zinc/34/16/08/519341608.db2.gz QVMRJGGYIKQLJJ-WIHSUSGWSA-N 1 0 352.431 2.519 20 5 FFBDRO CC[C@H](C)[NH2+][C@H](CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)c1ccco1 ZINC000580793377 519362002 /nfs/dbraw/zinc/36/20/02/519362002.db2.gz DXCGASLDEZDDQD-XHDPSFHLSA-N 1 0 371.397 2.923 20 5 FFBDRO NC(=O)C1([NH2+]CCCOc2ccc([N+](=O)[O-])cc2)C2CC3CC(C2)CC1C3 ZINC000590973071 519465736 /nfs/dbraw/zinc/46/57/36/519465736.db2.gz XMESNRAAVVIGQI-UHFFFAOYSA-N 1 0 373.453 2.634 20 5 FFBDRO CNc1nccc(C(=O)Nc2cc(C[NH+]3CCCC3)ccc2C)c1[N+](=O)[O-] ZINC000566440610 519494495 /nfs/dbraw/zinc/49/44/95/519494495.db2.gz MRXPJKMWJOZUCK-UHFFFAOYSA-N 1 0 369.425 2.610 20 5 FFBDRO Cn1cc(C[N@@H+]2CC[C@H](OC(F)F)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000578250029 519496361 /nfs/dbraw/zinc/49/63/61/519496361.db2.gz NCZCYYKAICVLNV-AWEZNQCLSA-N 1 0 352.341 2.809 20 5 FFBDRO O=C(Nc1ccc2c(c1F)CC[NH2+]C2)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000583920048 519501270 /nfs/dbraw/zinc/50/12/70/519501270.db2.gz CSSSUZPEQVQZHU-UHFFFAOYSA-N 1 0 370.384 2.970 20 5 FFBDRO C[C@H](C(=O)Nc1ccnc(OCC[NH+](C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000572223942 519502979 /nfs/dbraw/zinc/50/29/79/519502979.db2.gz GCLVWQLDWXXETM-ZDUSSCGKSA-N 1 0 358.398 2.672 20 5 FFBDRO CS(=O)(=O)Cc1cccc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000581260195 519603588 /nfs/dbraw/zinc/60/35/88/519603588.db2.gz FVLQLGUTXKAHSA-KRWDZBQOSA-N 1 0 360.435 2.917 20 5 FFBDRO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)NC[C@H]1CCCC[NH2+]1 ZINC000591357236 519607024 /nfs/dbraw/zinc/60/70/24/519607024.db2.gz SLCWOPLRAQTLFN-GFCCVEGCSA-N 1 0 360.336 2.555 20 5 FFBDRO Cc1c(NC(=O)CC[N@H+]2CCC=C(c3cnn(C)c3)C2)cccc1[N+](=O)[O-] ZINC000602886089 519948306 /nfs/dbraw/zinc/94/83/06/519948306.db2.gz GLORKKFVJKAUBI-UHFFFAOYSA-N 1 0 369.425 2.755 20 5 FFBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599933824 519958561 /nfs/dbraw/zinc/95/85/61/519958561.db2.gz LSSQQIJWRQUFNO-NSHDSACASA-N 1 0 370.247 2.962 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000594482973 519992459 /nfs/dbraw/zinc/99/24/59/519992459.db2.gz GSLZUZDGZIDMNJ-GJZGRUSLSA-N 1 0 367.471 2.507 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]C1CCN([C@@H]2CCOC2)CC1 ZINC000594504548 520005998 /nfs/dbraw/zinc/00/59/98/520005998.db2.gz JDLGZVSBZXQSNQ-MRXNPFEDSA-N 1 0 353.850 2.634 20 5 FFBDRO C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)C(=O)OC(C)(C)C ZINC000594508357 520006350 /nfs/dbraw/zinc/00/63/50/520006350.db2.gz BKECCGUTZRFYEJ-MCIONIFRSA-N 1 0 352.435 2.842 20 5 FFBDRO CC[N@@H+]1CCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2CC2CC2)C[C@H]1C ZINC000597408010 520008078 /nfs/dbraw/zinc/00/80/78/520008078.db2.gz IOTCSFWQPWEVRW-CQSZACIVSA-N 1 0 370.457 2.794 20 5 FFBDRO Cn1nnc2c1CC[C@@H]([NH2+]Cc1ccc(-c3ccc([N+](=O)[O-])cc3)o1)C2 ZINC000594514615 520010546 /nfs/dbraw/zinc/01/05/46/520010546.db2.gz JNTWIFTZBPKJTB-CYBMUJFWSA-N 1 0 353.382 2.630 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](O)[C@@H]2CCCC[C@H]21 ZINC000602997286 520012814 /nfs/dbraw/zinc/01/28/14/520012814.db2.gz HBIBDXLGRJJDST-NXHRZFHOSA-N 1 0 361.442 2.857 20 5 FFBDRO CC(C)c1ccc2c(c1)[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CCC2 ZINC000591757697 520023869 /nfs/dbraw/zinc/02/38/69/520023869.db2.gz AUVZLEFYDUXXAW-PKOBYXMFSA-N 1 0 358.442 2.943 20 5 FFBDRO CC[C@H](C[NH+]1CCCC1)Nc1ccc([N+](=O)[O-])c(N2CCOCC2)c1F ZINC000594556934 520026352 /nfs/dbraw/zinc/02/63/52/520026352.db2.gz WTDCARXZLVUKTD-CQSZACIVSA-N 1 0 366.437 2.857 20 5 FFBDRO O=C(N[C@@H]1CC12CC[NH2+]CC2)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000597441201 520031475 /nfs/dbraw/zinc/03/14/75/520031475.db2.gz QGTVJWYRQHJPGZ-NVXWUHKLSA-N 1 0 358.442 2.626 20 5 FFBDRO CC(C)[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])n2C)CC[N@@H+]1Cc1ccccc1 ZINC000600252611 520159964 /nfs/dbraw/zinc/15/99/64/520159964.db2.gz KKVTXLKOMDCGBS-SFHVURJKSA-N 1 0 370.453 2.916 20 5 FFBDRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000597695971 520180534 /nfs/dbraw/zinc/18/05/34/520180534.db2.gz APMYMQSLORNIEM-JOYOIKCWSA-N 1 0 356.220 2.522 20 5 FFBDRO C[NH+](C)CCc1ccc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 ZINC000609063049 520183489 /nfs/dbraw/zinc/18/34/89/520183489.db2.gz UFMUPDNVAMNNEI-UHFFFAOYSA-N 1 0 357.366 2.680 20 5 FFBDRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000597700335 520185470 /nfs/dbraw/zinc/18/54/70/520185470.db2.gz MOWYXWNJSMWXQB-XJKSGUPXSA-N 1 0 354.410 2.821 20 5 FFBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000597701624 520187017 /nfs/dbraw/zinc/18/70/17/520187017.db2.gz VHCAWRBYEBJWCH-ZANVPECISA-N 1 0 356.220 2.522 20 5 FFBDRO CCOC(=O)CC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592131048 520206568 /nfs/dbraw/zinc/20/65/68/520206568.db2.gz RWCGONLZYQVKMI-WKILWMFISA-N 1 0 350.415 2.654 20 5 FFBDRO CS(=O)(=O)C1(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCCCC1 ZINC000594974773 520236760 /nfs/dbraw/zinc/23/67/60/520236760.db2.gz IOBBBRYTEYSQKW-CLFYSBASSA-N 1 0 352.456 2.945 20 5 FFBDRO CC1([NH+]2CCOCC2)CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000600411043 520244400 /nfs/dbraw/zinc/24/44/00/520244400.db2.gz QTNXWXCOTYDUNC-UHFFFAOYSA-N 1 0 373.409 2.668 20 5 FFBDRO CC1([NH+]2CCOCC2)CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000600410940 520244620 /nfs/dbraw/zinc/24/46/20/520244620.db2.gz PPFXKSQNFMXFCP-UHFFFAOYSA-N 1 0 367.833 2.575 20 5 FFBDRO CCS(=O)(=O)C1(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000594992837 520246184 /nfs/dbraw/zinc/24/61/84/520246184.db2.gz KGSUOVABTPUOHR-UHFFFAOYSA-N 1 0 364.423 2.912 20 5 FFBDRO COc1cc(C[NH2+][C@@H]2C[C@]2(C)OC)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000594993508 520246361 /nfs/dbraw/zinc/24/63/61/520246361.db2.gz AVRZODUREJQFNJ-KGLIPLIRSA-N 1 0 364.320 2.812 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C(C)C)C1(CO)CC=CC1 ZINC000592178304 520247563 /nfs/dbraw/zinc/24/75/63/520247563.db2.gz YFFSUNIHVVZHDD-GOSISDBHSA-N 1 0 361.442 2.785 20 5 FFBDRO C[C@H]1CC2(C[N@@H+]1[C@H]1CCN(c3cccc([N+](=O)[O-])c3)C1=O)CCOCC2 ZINC000592183923 520249405 /nfs/dbraw/zinc/24/94/05/520249405.db2.gz LFJILTUSDNKZTN-YOEHRIQHSA-N 1 0 359.426 2.591 20 5 FFBDRO C[C@H]1COCC[N@@H+]1C1CCN(c2nc3c(cc2[N+](=O)[O-])CCCC3)CC1 ZINC000603402186 520250000 /nfs/dbraw/zinc/25/00/00/520250000.db2.gz OFPOSSXGKWNDQZ-AWEZNQCLSA-N 1 0 360.458 2.558 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCCN1C[C@@H](C)O[C@H](C)C1 ZINC000595003042 520250584 /nfs/dbraw/zinc/25/05/84/520250584.db2.gz BMEQGJBVWQLXHP-KFWWJZLASA-N 1 0 351.447 2.753 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCc1nnc2n1CCCCC2 ZINC000595003691 520252388 /nfs/dbraw/zinc/25/23/88/520252388.db2.gz JUPBNDGNQLNPPM-CYBMUJFWSA-N 1 0 359.430 2.815 20 5 FFBDRO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)[C@@H]1n1cccn1 ZINC000595039615 520264776 /nfs/dbraw/zinc/26/47/76/520264776.db2.gz UHAUJKVHXNZJRD-XGWTYTTDSA-N 1 0 360.414 2.869 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]Cc2cnc(C(F)(F)F)nc2)n1 ZINC000595058536 520273819 /nfs/dbraw/zinc/27/38/19/520273819.db2.gz CODOYIOPPXSZND-VXGBXAGGSA-N 1 0 370.335 2.874 20 5 FFBDRO O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000600469380 520278855 /nfs/dbraw/zinc/27/88/55/520278855.db2.gz AJYGPZUIJFJJJC-AWEZNQCLSA-N 1 0 370.409 2.595 20 5 FFBDRO CC(C)[C@H]1CN(C(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000592244415 520286561 /nfs/dbraw/zinc/28/65/61/520286561.db2.gz BXXOCQNZHVUGOI-QGZVFWFLSA-N 1 0 374.485 2.901 20 5 FFBDRO NC(=O)CC1(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCCCC1 ZINC000595099900 520293419 /nfs/dbraw/zinc/29/34/19/520293419.db2.gz QBVYVLVWLHVVAN-HUUCEWRRSA-N 1 0 363.462 2.691 20 5 FFBDRO C[C@H]1CCCN(c2ccc(C(=O)N[C@H]3CCC[NH2+]CC3)cc2[N+](=O)[O-])C1 ZINC000592330557 520338996 /nfs/dbraw/zinc/33/89/96/520338996.db2.gz RXWJJVZLWLCGSY-HOCLYGCPSA-N 1 0 360.458 2.703 20 5 FFBDRO CC(C)[NH2+][C@@H]1CCCN(c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])C1 ZINC000609560989 520359277 /nfs/dbraw/zinc/35/92/77/520359277.db2.gz OUQFVVNOUJARAP-OAHLLOKOSA-N 1 0 371.441 2.526 20 5 FFBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000595226650 520360624 /nfs/dbraw/zinc/36/06/24/520360624.db2.gz XOGYRJLOEBKJPC-KUHUBIRLSA-N 1 0 370.453 2.999 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000609583481 520366954 /nfs/dbraw/zinc/36/69/54/520366954.db2.gz KQVQFTJYTFFNNX-VXGBXAGGSA-N 1 0 369.849 2.862 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CC2(c3ccc(F)cc3)CC2)c1 ZINC000603840997 520373697 /nfs/dbraw/zinc/37/36/97/520373697.db2.gz PUPMHGPLKIZHJC-QGZVFWFLSA-N 1 0 360.385 2.795 20 5 FFBDRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000595256983 520374236 /nfs/dbraw/zinc/37/42/36/520374236.db2.gz YWTHCIWBFXEFTC-HKUYNNGSSA-N 1 0 369.421 2.787 20 5 FFBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000595263557 520378965 /nfs/dbraw/zinc/37/89/65/520378965.db2.gz FIJDIUVZEVUNAE-QGZVFWFLSA-N 1 0 360.458 2.559 20 5 FFBDRO CCN(C(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CC[N@H+](CC)C1 ZINC000598040547 520388783 /nfs/dbraw/zinc/38/87/83/520388783.db2.gz HTNPBLQEPSNTMB-TZMCWYRMSA-N 1 0 369.849 2.958 20 5 FFBDRO CCC1([NH+]2CCOCC2)CCN(C(=O)c2cccc(C)c2[N+](=O)[O-])CC1 ZINC000600681873 520393837 /nfs/dbraw/zinc/39/38/37/520393837.db2.gz HLFXSLIRICZTOT-UHFFFAOYSA-N 1 0 361.442 2.620 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000598061443 520404402 /nfs/dbraw/zinc/40/44/02/520404402.db2.gz FMMBPDSGSJFNRE-UHFFFAOYSA-N 1 0 368.437 2.940 20 5 FFBDRO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000609758131 520422779 /nfs/dbraw/zinc/42/27/79/520422779.db2.gz LBPIPTADTRSQFF-BBRMVZONSA-N 1 0 358.442 2.868 20 5 FFBDRO CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000592525607 520440062 /nfs/dbraw/zinc/44/00/62/520440062.db2.gz AUBDQKHSCBLPBM-OQRGYWNNSA-N 1 0 371.359 2.999 20 5 FFBDRO Cc1ccc(C(C)(C)C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)nc1 ZINC000600753904 520449445 /nfs/dbraw/zinc/44/94/45/520449445.db2.gz KQSMQODHCYGKBJ-INIZCTEOSA-N 1 0 359.426 2.605 20 5 FFBDRO CC[C@H]1CN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000592544273 520451571 /nfs/dbraw/zinc/45/15/71/520451571.db2.gz BGOIICUCDDZQPK-AAEUAGOBSA-N 1 0 355.822 2.603 20 5 FFBDRO C[NH+](C)[C@H](CNC(=O)COc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000604181419 520472219 /nfs/dbraw/zinc/47/22/19/520472219.db2.gz IQXIPFYCTZDMND-MRXNPFEDSA-N 1 0 361.373 2.532 20 5 FFBDRO CNc1ccc(C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000604191897 520479686 /nfs/dbraw/zinc/47/96/86/520479686.db2.gz BIWGZDVLBAINOH-INIZCTEOSA-N 1 0 356.426 2.539 20 5 FFBDRO CCOC(=O)c1ccnc(NCC[NH+]2[C@@H](C)CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000609963824 520491333 /nfs/dbraw/zinc/49/13/33/520491333.db2.gz PXQXXWYVIQECFR-STQMWFEESA-N 1 0 350.419 2.841 20 5 FFBDRO COc1ccc(CC(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000598220049 520501755 /nfs/dbraw/zinc/50/17/55/520501755.db2.gz OMBHTAIGIYBMGZ-HNNXBMFYSA-N 1 0 361.442 2.669 20 5 FFBDRO COCC[C@H]1CCCC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000613503381 520533893 /nfs/dbraw/zinc/53/38/93/520533893.db2.gz QZYJAJBHOCHWDB-QAPCUYQASA-N 1 0 361.442 2.839 20 5 FFBDRO C[C@H](NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)C1CC[NH+](C)CC1 ZINC000610101493 520539514 /nfs/dbraw/zinc/53/95/14/520539514.db2.gz TVBPLMIWIXETDX-HNNXBMFYSA-N 1 0 362.474 2.947 20 5 FFBDRO CCOc1cc(C[NH2+][C@H](C2CC2)C2(CO)CCOCC2)ccc1[N+](=O)[O-] ZINC000595587912 520573186 /nfs/dbraw/zinc/57/31/86/520573186.db2.gz HDBJCAJVFMARNW-GOSISDBHSA-N 1 0 364.442 2.651 20 5 FFBDRO CCCN(C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C)C1 ZINC000592830161 520606493 /nfs/dbraw/zinc/60/64/93/520606493.db2.gz COLRQHFXJKYWED-MRXNPFEDSA-N 1 0 360.458 2.751 20 5 FFBDRO CCCN(C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)[C@@H]1CC[N@H+](C)C1 ZINC000592828868 520607250 /nfs/dbraw/zinc/60/72/50/520607250.db2.gz KIKGJJUTUZZCRD-OAHLLOKOSA-N 1 0 357.414 2.541 20 5 FFBDRO CC[NH+](CC)CCCNC(=O)C1CCN(c2ccsc2[N+](=O)[O-])CC1 ZINC000610275394 520617702 /nfs/dbraw/zinc/61/77/02/520617702.db2.gz FKEHWTCECIVDCA-UHFFFAOYSA-N 1 0 368.503 2.721 20 5 FFBDRO CCC[N@H+](C)CC(C)(C)NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000598466960 520630663 /nfs/dbraw/zinc/63/06/63/520630663.db2.gz XVTQEKUIBFSMBY-UHFFFAOYSA-N 1 0 359.430 2.631 20 5 FFBDRO COC[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1cccc(OC)c1 ZINC000595684532 520648218 /nfs/dbraw/zinc/64/82/18/520648218.db2.gz OCXKDJWCHWGRAY-GOSISDBHSA-N 1 0 373.409 2.909 20 5 FFBDRO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000601132597 520652229 /nfs/dbraw/zinc/65/22/29/520652229.db2.gz KHESSUQUQOAREJ-ZYHUDNBSSA-N 1 0 373.379 2.800 20 5 FFBDRO C[NH+](C)CCC[C@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CCO1 ZINC000598539323 520689774 /nfs/dbraw/zinc/68/97/74/520689774.db2.gz HFTYHAQOSWXLFW-HNNXBMFYSA-N 1 0 361.398 2.524 20 5 FFBDRO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)c1ccc([N+](=O)[O-])n1C ZINC000610446090 520691041 /nfs/dbraw/zinc/69/10/41/520691041.db2.gz PHMWBNBEKBTTFT-OAHLLOKOSA-N 1 0 356.426 2.670 20 5 FFBDRO Cc1cc(OCC(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000598557364 520704052 /nfs/dbraw/zinc/70/40/52/520704052.db2.gz FSVVIFAFCZTFGV-MRXNPFEDSA-N 1 0 361.442 2.520 20 5 FFBDRO COc1cc(C[N@@H+]2C[C@H]3COC[C@]3(C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000595761039 520705940 /nfs/dbraw/zinc/70/59/40/520705940.db2.gz WDTMZBLQVKFLSJ-ZBEGNZNMSA-N 1 0 358.341 2.673 20 5 FFBDRO C[C@H]([NH2+][C@H]1CCC[C@H]1Cc1cnn(C)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000595769564 520711718 /nfs/dbraw/zinc/71/17/18/520711718.db2.gz KBPLKMHLYVHERH-YEWWUXTCSA-N 1 0 371.441 2.656 20 5 FFBDRO COC(=O)c1ccnc(Nc2cccc3c2OCC[C@H]3[NH+](C)C)c1[N+](=O)[O-] ZINC000598623116 520748137 /nfs/dbraw/zinc/74/81/37/520748137.db2.gz VKJZVNAUZRJYLN-CQSZACIVSA-N 1 0 372.381 2.905 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N3C[C@H]4CCC[C@@]4([NH3+])C3)cc2[N+](=O)[O-])C1 ZINC000598666905 520774311 /nfs/dbraw/zinc/77/43/11/520774311.db2.gz BGSCTBOFHGASNG-AKCHCHLHSA-N 1 0 372.469 2.785 20 5 FFBDRO [NH3+][C@]12CCC[C@@H]1CN(C(=O)c1csc(-c3ccc([N+](=O)[O-])cc3)n1)C2 ZINC000598669345 520776761 /nfs/dbraw/zinc/77/67/61/520776761.db2.gz HXIPLVCLEXRVPI-PXAZEXFGSA-N 1 0 358.423 2.672 20 5 FFBDRO C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C[C@H]1CCc2ccccc21 ZINC000595881547 520789573 /nfs/dbraw/zinc/78/95/73/520789573.db2.gz UAKQICNTEXQEFZ-SJORKVTESA-N 1 0 356.422 2.996 20 5 FFBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2[C@H](C)C[N@H+](C)[C@@H](C)[C@H]2C)cc1OC ZINC000593188158 520811764 /nfs/dbraw/zinc/81/17/64/520811764.db2.gz WWZMRGRAPJDZFP-FRRDWIJNSA-N 1 0 365.430 2.555 20 5 FFBDRO C[C@@H]1[C@@H](C)[N@@H+](C)C[C@H](C)N1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000593188804 520813882 /nfs/dbraw/zinc/81/38/82/520813882.db2.gz QBULVCHSGGLTMK-HBNTYKKESA-N 1 0 370.247 2.910 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)Cc1ccc(Br)cc1 ZINC000610782750 520841729 /nfs/dbraw/zinc/84/17/29/520841729.db2.gz YPRZTOBZLNIBTB-UHFFFAOYSA-N 1 0 353.220 2.994 20 5 FFBDRO C[NH2+]C[C@@H](C)NC(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 ZINC000595981436 520844261 /nfs/dbraw/zinc/84/42/61/520844261.db2.gz CURMOAIXPTZPSQ-SECBINFHSA-N 1 0 366.468 2.849 20 5 FFBDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)C3(c4ccc([N+](=O)[O-])cc4)CCC3)C2)C1 ZINC000601602030 520862397 /nfs/dbraw/zinc/86/23/97/520862397.db2.gz FVZZVMICUVYFJE-LJQANCHMSA-N 1 0 357.454 2.961 20 5 FFBDRO COc1ccc(CN2CC[C@@H]([NH2+]CCc3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000596047155 520877588 /nfs/dbraw/zinc/87/75/88/520877588.db2.gz MPXIJUKJJWSVOV-LJQANCHMSA-N 1 0 369.421 2.537 20 5 FFBDRO COc1cc(N2CCN(C[C@@H]3CCCO3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596052679 520880453 /nfs/dbraw/zinc/88/04/53/520880453.db2.gz GXMQACIALSABJE-LBPRGKRZSA-N 1 0 355.822 2.558 20 5 FFBDRO O=[N+]([O-])c1cnccc1NC1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000610915190 520902616 /nfs/dbraw/zinc/90/26/16/520902616.db2.gz YRSOWUQGSYZJNK-UHFFFAOYSA-N 1 0 360.389 2.506 20 5 FFBDRO Cn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCCCC[N@H+](Cc3ccccc3)C2)n1 ZINC000601726304 520921225 /nfs/dbraw/zinc/92/12/25/520921225.db2.gz HTRCKZYBDHPGQG-INIZCTEOSA-N 1 0 371.441 2.503 20 5 FFBDRO COC(=O)c1c(Cl)c(N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000596160218 520944940 /nfs/dbraw/zinc/94/49/40/520944940.db2.gz BEXFBBZZSRQGTP-BXKDBHETSA-N 1 0 353.806 2.929 20 5 FFBDRO COc1cc(C[NH2+]CCN2CCC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000611039944 520956904 /nfs/dbraw/zinc/95/69/04/520956904.db2.gz ODVXKBZVYIVRMB-UHFFFAOYSA-N 1 0 371.437 2.978 20 5 FFBDRO C[NH+](C)[C@H](CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-])C1CCCCC1 ZINC000593405424 520970608 /nfs/dbraw/zinc/97/06/08/520970608.db2.gz QBIBFMXNDFARFT-QGZVFWFLSA-N 1 0 351.422 2.903 20 5 FFBDRO C[NH+](C)CC1CN(c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000596247173 520993146 /nfs/dbraw/zinc/99/31/46/520993146.db2.gz LWQCBRSMHWFBKP-UHFFFAOYSA-N 1 0 354.279 2.642 20 5 FFBDRO O=[N+]([O-])c1cc2ccccc2nc1N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000596269023 521002887 /nfs/dbraw/zinc/00/28/87/521002887.db2.gz QWVJGNFCHNWPLQ-UHFFFAOYSA-N 1 0 356.426 2.834 20 5 FFBDRO C[NH+](C)[C@@H]1[C@H]2CN(c3ccc([N+](=O)[O-])c(OCc4ccccc4)n3)C[C@H]21 ZINC000599082906 521021669 /nfs/dbraw/zinc/02/16/69/521021669.db2.gz FHDIEYUDSFSWSJ-HWWDLCQESA-N 1 0 354.410 2.565 20 5 FFBDRO C[C@H]([NH2+]C[C@@H]1CN(Cc2ccncc2)CCO1)c1ccc([N+](=O)[O-])cc1 ZINC000599086920 521025252 /nfs/dbraw/zinc/02/52/52/521025252.db2.gz BHVQBGCWAGWBFL-HNAYVOBHSA-N 1 0 356.426 2.541 20 5 FFBDRO COCC[N@@H+]1CCC[C@H](Nc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C1 ZINC000611182176 521027349 /nfs/dbraw/zinc/02/73/49/521027349.db2.gz XMDKSGFZKXTCGR-INIZCTEOSA-N 1 0 356.426 2.601 20 5 FFBDRO COc1ccccc1[C@@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000611185150 521029427 /nfs/dbraw/zinc/02/94/27/521029427.db2.gz LZEMHSSFJQKBBZ-KRWDZBQOSA-N 1 0 357.410 2.992 20 5 FFBDRO O=C(Nc1ccc(C[NH+]2CCC(O)CC2)cc1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000611197388 521033800 /nfs/dbraw/zinc/03/38/00/521033800.db2.gz AAYLWEBWGSCHNZ-UHFFFAOYSA-N 1 0 373.384 2.943 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH+]3CCOCC3)CC2)nc1-c1ccccc1 ZINC000599105633 521033906 /nfs/dbraw/zinc/03/39/06/521033906.db2.gz PJCAVHYWPJWEKR-UHFFFAOYSA-N 1 0 368.437 2.958 20 5 FFBDRO Cn1cc(C[N@@H+]2CCO[C@@H](C(F)F)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000601969433 521046020 /nfs/dbraw/zinc/04/60/20/521046020.db2.gz DCCLENCUFKYQGW-OAHLLOKOSA-N 1 0 366.368 2.851 20 5 FFBDRO CCOC(=O)c1ccnc(N[C@H]2CC[N@@H+](C3CCCCC3)C2)c1[N+](=O)[O-] ZINC000596477867 521090639 /nfs/dbraw/zinc/09/06/39/521090639.db2.gz LCVHDQRFZKLGDI-ZDUSSCGKSA-N 1 0 362.430 2.985 20 5 FFBDRO C[S@](=O)c1ccc(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000618571899 521129190 /nfs/dbraw/zinc/12/91/90/521129190.db2.gz NHHSROLLOHXJJM-RVFQGNMQSA-N 1 0 362.455 2.802 20 5 FFBDRO O=C(CC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)N1CCCCCC1 ZINC000618570519 521129503 /nfs/dbraw/zinc/12/95/03/521129503.db2.gz OWMAXGBSGSIBDG-CVEARBPZSA-N 1 0 363.462 2.657 20 5 FFBDRO CC[C@H]([NH2+]CC(=O)NC[C@H]1Cc2ccccc2O1)c1cccc([N+](=O)[O-])c1 ZINC000611403043 521137419 /nfs/dbraw/zinc/13/74/19/521137419.db2.gz HLBBKLWOYAAZFH-MSOLQXFVSA-N 1 0 369.421 2.755 20 5 FFBDRO CS[C@H]1CN(c2ncnc3ccc([N+](=O)[O-])cc32)C[C@@H]1[NH+]1CCCC1 ZINC000614822102 521154838 /nfs/dbraw/zinc/15/48/38/521154838.db2.gz HZIQSUINELRJKL-HOTGVXAUSA-N 1 0 359.455 2.554 20 5 FFBDRO COc1ccc(OCC[N@@H+]2Cc3cnn(C)c3CC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000596599675 521158747 /nfs/dbraw/zinc/15/87/47/521158747.db2.gz VZWSRJOLNIMEHT-UHFFFAOYSA-N 1 0 374.441 2.800 20 5 FFBDRO CCC[C@H]([NH2+][C@@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000611475343 521176360 /nfs/dbraw/zinc/17/63/60/521176360.db2.gz UCBZIZHFPXWLJQ-JEBQAFNWSA-N 1 0 371.441 2.953 20 5 FFBDRO O=C(N[C@H]1C[C@@H]([NH+]2CCCC2)C1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000602168193 521183199 /nfs/dbraw/zinc/18/31/99/521183199.db2.gz WCBLMKACYVWEEF-TXEJJXNPSA-N 1 0 357.332 2.970 20 5 FFBDRO CC[N@@H+]1CCCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000599399716 521199752 /nfs/dbraw/zinc/19/97/52/521199752.db2.gz XMCRIXFOZODBJR-UHFFFAOYSA-N 1 0 356.220 2.525 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)c(Cl)c1 ZINC000599464862 521240949 /nfs/dbraw/zinc/24/09/49/521240949.db2.gz VDUVBBRDLVFPMG-CYBMUJFWSA-N 1 0 373.862 2.543 20 5 FFBDRO Cc1ccc(S(=O)(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)c(C)c1[N+](=O)[O-] ZINC000599464170 521241100 /nfs/dbraw/zinc/24/11/00/521241100.db2.gz JQPMYYDJDXKWRE-OAHLLOKOSA-N 1 0 367.471 2.507 20 5 FFBDRO CC[NH+](CC)C[C@@H](C)NC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599476153 521247809 /nfs/dbraw/zinc/24/78/09/521247809.db2.gz KPNYDUXETAWDFF-SNVBAGLBSA-N 1 0 358.236 2.817 20 5 FFBDRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4o3)C2)C1 ZINC000593911187 521286569 /nfs/dbraw/zinc/28/65/69/521286569.db2.gz FMFWGTOQTZAMKE-QEORTHHSSA-N 1 0 373.409 2.700 20 5 FFBDRO C[C@@H]1CCCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)[C@@H]1CC[NH3+] ZINC000593914223 521289123 /nfs/dbraw/zinc/28/91/23/521289123.db2.gz BGQXNKQYNHTTHX-GDBMZVCRSA-N 1 0 360.458 2.785 20 5 FFBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000599553109 521292916 /nfs/dbraw/zinc/29/29/16/521292916.db2.gz NLZUWULWNPFDOH-KGLIPLIRSA-N 1 0 363.439 2.863 20 5 FFBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](C)[C@H]2CC[NH3+])cc1OC ZINC000593934963 521300561 /nfs/dbraw/zinc/30/05/61/521300561.db2.gz UVVCHOFUSNYDRM-TZMCWYRMSA-N 1 0 365.430 2.592 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000599574326 521306557 /nfs/dbraw/zinc/30/65/57/521306557.db2.gz SEYIETVNKZQIQI-KXBFYZLASA-N 1 0 357.410 2.861 20 5 FFBDRO C[C@H]1COCCN1C1CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000593990928 521333896 /nfs/dbraw/zinc/33/38/96/521333896.db2.gz QICQLCJDWQJKPH-INIZCTEOSA-N 1 0 363.458 2.549 20 5 FFBDRO CN(C)C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(Cl)c(Cl)c1 ZINC000599628988 521342751 /nfs/dbraw/zinc/34/27/51/521342751.db2.gz WKYKXLUZOSUFMX-HNNXBMFYSA-N 1 0 372.256 2.991 20 5 FFBDRO CC(C)[C@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)N1CCCC1 ZINC000602508436 521386303 /nfs/dbraw/zinc/38/63/03/521386303.db2.gz CBQMUNAMNXCGTJ-SFHVURJKSA-N 1 0 361.490 2.669 20 5 FFBDRO CC(C)COC[C@H](O)C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602522767 521393711 /nfs/dbraw/zinc/39/37/11/521393711.db2.gz GIVPKKQRHZYOFO-SECBINFHSA-N 1 0 367.265 2.542 20 5 FFBDRO O=[N+]([O-])c1sc(C[NH2+]CCSCCCO)cc1Br ZINC000602537603 521400930 /nfs/dbraw/zinc/40/09/30/521400930.db2.gz HDMDSFRXFFYKBV-UHFFFAOYSA-N 1 0 355.279 2.624 20 5 FFBDRO [NH3+]C[C@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[C@H]1C(F)(F)F ZINC000602542103 521401882 /nfs/dbraw/zinc/40/18/82/521401882.db2.gz TUBYKOARRSBODC-GZMMTYOYSA-N 1 0 365.739 2.848 20 5 FFBDRO COC(=O)[C@@H]1C[C@@H](C)[N@@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000599688712 521403533 /nfs/dbraw/zinc/40/35/33/521403533.db2.gz LSFYRHSTRQEFJR-BTTYYORXSA-N 1 0 366.414 2.644 20 5 FFBDRO CSC[C@](C)(O)C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602551180 521407790 /nfs/dbraw/zinc/40/77/90/521407790.db2.gz NEUZMKUJTYYMCM-SNVBAGLBSA-N 1 0 355.279 2.622 20 5 FFBDRO COc1ccc(CN2CC[C@@H]2CNC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000599697171 521408476 /nfs/dbraw/zinc/40/84/76/521408476.db2.gz WGADGKYMJHECGR-QGZVFWFLSA-N 1 0 370.409 2.999 20 5 FFBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCNc2nccc(C(F)(F)F)n2)cc1 ZINC000602553332 521410328 /nfs/dbraw/zinc/41/03/28/521410328.db2.gz SIGXKGILHNKBSY-UHFFFAOYSA-N 1 0 355.320 2.648 20 5 FFBDRO COc1ccc([C@H]([NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C2CC2)cn1 ZINC000599702629 521414027 /nfs/dbraw/zinc/41/40/27/521414027.db2.gz XIPUVSXORKRONW-LJQANCHMSA-N 1 0 370.409 2.702 20 5 FFBDRO C[C@@H](CO[C@@H]1CCOC1)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602572379 521417226 /nfs/dbraw/zinc/41/72/26/521417226.db2.gz YWJCCXMKEVJMBJ-DTWKUNHWSA-N 1 0 365.249 2.702 20 5 FFBDRO CC(C)[C@H](O)C(C)(C)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602581009 521421868 /nfs/dbraw/zinc/42/18/68/521421868.db2.gz SKUUUCNHTYMWIA-KRWDZBQOSA-N 1 0 350.463 2.591 20 5 FFBDRO Cc1nn(C)c(C)c1CCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602582672 521423154 /nfs/dbraw/zinc/42/31/54/521423154.db2.gz MZCOXKIWELLSBG-UHFFFAOYSA-N 1 0 372.473 2.531 20 5 FFBDRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000594198964 521464580 /nfs/dbraw/zinc/46/45/80/521464580.db2.gz WQICGJKXWJUHKM-KBPBESRZSA-N 1 0 369.368 2.943 20 5 FFBDRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000594198699 521465438 /nfs/dbraw/zinc/46/54/38/521465438.db2.gz VCPGVBPGRAHVAS-CVEARBPZSA-N 1 0 369.425 2.527 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597091139 521496202 /nfs/dbraw/zinc/49/62/02/521496202.db2.gz VSZGUZWDBRZKNH-SNVBAGLBSA-N 1 0 355.826 2.825 20 5 FFBDRO Nc1c(NC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cc(Cl)cc1[N+](=O)[O-] ZINC000597093932 521499567 /nfs/dbraw/zinc/49/95/67/521499567.db2.gz CYBVNAUCLLCZOB-CMPLNLGQSA-N 1 0 353.810 2.579 20 5 FFBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C1 ZINC000599832238 521500155 /nfs/dbraw/zinc/50/01/55/521500155.db2.gz TWQVNJLAWYSYLK-ZDUSSCGKSA-N 1 0 357.414 2.949 20 5 FFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCC2CS(=O)(=O)C2)s1 ZINC000615728186 521514540 /nfs/dbraw/zinc/51/45/40/521514540.db2.gz PGUHXNXJNJVOMH-UHFFFAOYSA-N 1 0 366.464 2.848 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CCN1CCC[N@H+](Cc2ccccc2C)CC1 ZINC000602758986 521517880 /nfs/dbraw/zinc/51/78/80/521517880.db2.gz ITIDNALLQQKWKK-UHFFFAOYSA-N 1 0 357.458 2.616 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CCN1CCC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000602780797 521528622 /nfs/dbraw/zinc/52/86/22/521528622.db2.gz SAGKIMRKFKBXAZ-MRXNPFEDSA-N 1 0 357.458 2.696 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](CC(=O)OC(C)C)c1ccccc1 ZINC000602806377 521544370 /nfs/dbraw/zinc/54/43/70/521544370.db2.gz SFPJNPUIQRKIQC-MRXNPFEDSA-N 1 0 360.414 2.772 20 5 FFBDRO COc1ccc(-c2ccc(C[N@H+]3CCC(=O)N(C)CC3)o2)c([N+](=O)[O-])c1 ZINC000597213418 521579718 /nfs/dbraw/zinc/57/97/18/521579718.db2.gz CEXLWRVXRMBTRF-UHFFFAOYSA-N 1 0 359.382 2.528 20 5 FFBDRO Cc1cc(OCC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)ccc1[N+](=O)[O-] ZINC000619537112 521757304 /nfs/dbraw/zinc/75/73/04/521757304.db2.gz VKGVQBQTUPSNBJ-DNVCBOLYSA-N 1 0 373.453 2.757 20 5 FFBDRO CC(C)[N@@H+]1CCCC[C@@H]1CN1C(=O)N[C@@](C)(c2cccc([N+](=O)[O-])c2)C1=O ZINC000619864426 521909705 /nfs/dbraw/zinc/90/97/05/521909705.db2.gz OZJKWYBURAEOJN-APWZRJJASA-N 1 0 374.441 2.625 20 5 FFBDRO COc1ccc(C[NH2+]C2(c3cccc(-c4nn[nH]n4)c3)CC2)cc1[N+](=O)[O-] ZINC000826202429 607705530 /nfs/dbraw/zinc/70/55/30/607705530.db2.gz ZPCQTYLNWAGJQU-UHFFFAOYSA-N 1 0 366.381 2.562 20 5 FFBDRO O=[N+]([O-])c1cccc(C[N@H+](Cc2ccccc2-c2nn[nH]n2)C2CC2)c1 ZINC000823648606 607176849 /nfs/dbraw/zinc/17/68/49/607176849.db2.gz YNRVPTCJOJXPRT-UHFFFAOYSA-N 1 0 350.382 2.940 20 5 FFBDRO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1cccc(-c2nn[nH]n2)c1 ZINC000824598288 608481116 /nfs/dbraw/zinc/48/11/16/608481116.db2.gz DKQXNJQIWBLPGR-GFCCVEGCSA-N 1 0 354.370 2.505 20 5 FFBDRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000826184196 608553548 /nfs/dbraw/zinc/55/35/48/608553548.db2.gz NWNWKAVWOWAZGF-GFCCVEGCSA-N 1 0 368.397 2.943 20 5 FFBDRO C[C@H]([NH2+]CCOc1cccc(-c2nn[nH]n2)c1)c1ccccc1[N+](=O)[O-] ZINC000824598048 608563924 /nfs/dbraw/zinc/56/39/24/608563924.db2.gz AOESEUCVCYNZDU-LBPRGKRZSA-N 1 0 354.370 2.505 20 5 FFBDRO [NH3+]C1([C@@H]2CN(C(F)(F)c3cnc(Cl)c([N+](=O)[O-])c3)C[C@H]2CF)CC1 ZINC001164629937 719115241 /nfs/dbraw/zinc/11/52/41/719115241.db2.gz UKKXDYOMMUYMAC-PSASIEDQSA-N 1 0 364.755 2.701 20 5 FFBDRO Cc1nc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC001164896266 721511770 /nfs/dbraw/zinc/51/17/70/721511770.db2.gz AESSGNGEUAHDJU-RDJZCZTQSA-N 1 0 372.400 2.779 20 5 FFBDRO Cc1cc(N2CC[C@H]3[C@@H]2CC[N@H+]3CCN(C)C)nc2ccc([N+](=O)[O-])cc12 ZINC001164932511 721855165 /nfs/dbraw/zinc/85/51/65/721855165.db2.gz YNOSJQLJNVGIQI-OALUTQOASA-N 1 0 369.469 2.666 20 5 FFBDRO CC1(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)COC1 ZINC000743845458 735322008 /nfs/dbraw/zinc/32/20/08/735322008.db2.gz BORXXLCCFOQTIO-UHFFFAOYSA-N 1 0 359.348 2.772 20 5 FFBDRO Cc1ccc(C[NH2+][C@H]2CCc3ncc(Br)n3C2)cc1[N+](=O)[O-] ZINC000898727315 735401050 /nfs/dbraw/zinc/40/10/50/735401050.db2.gz UVGIZWCIHASXEY-LBPRGKRZSA-N 1 0 365.231 2.967 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000081096039 728393957 /nfs/dbraw/zinc/39/39/57/728393957.db2.gz JRAVLPFOIBHNAA-DOMZBBRYSA-N 1 0 368.865 2.849 20 5 FFBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000092627073 728469619 /nfs/dbraw/zinc/46/96/19/728469619.db2.gz OUHWDJZKYJNHDY-NSHDSACASA-N 1 0 356.220 2.524 20 5 FFBDRO O=[N+]([O-])c1cc(CN2CC[NH+](CC3CC3)CC2)ccc1Br ZINC000107779305 728517920 /nfs/dbraw/zinc/51/79/20/728517920.db2.gz MPQBMBMSIYYHHO-UHFFFAOYSA-N 1 0 354.248 2.885 20 5 FFBDRO C[NH+](C)CCN(C1CCCCC1)S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000119935084 728602883 /nfs/dbraw/zinc/60/28/83/728602883.db2.gz ZMTNBHZQGTVLSU-UHFFFAOYSA-N 1 0 361.489 2.541 20 5 FFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N(CC[NH+](C)C)C(C)C ZINC000123471351 728659102 /nfs/dbraw/zinc/65/91/02/728659102.db2.gz XUKJEIWREPMIRC-UHFFFAOYSA-N 1 0 363.867 2.517 20 5 FFBDRO CC[NH+](CC)[C@@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)c1ccsc1 ZINC000126349686 728699781 /nfs/dbraw/zinc/69/97/81/728699781.db2.gz UATVXFFFTBPRHE-AWEZNQCLSA-N 1 0 363.443 2.645 20 5 FFBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000195131681 729530182 /nfs/dbraw/zinc/53/01/82/729530182.db2.gz PYAIXGNTZBXTSW-OAHLLOKOSA-N 1 0 360.439 2.805 20 5 FFBDRO [NH3+][C@@H]1CCC[C@H]2CN(Cc3ccc(Br)c([N+](=O)[O-])c3)C[C@@H]21 ZINC000230132228 729550566 /nfs/dbraw/zinc/55/05/66/729550566.db2.gz AGLMCCXMLDUSEV-SGMGOOAPSA-N 1 0 354.248 2.917 20 5 FFBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000424027822 729862072 /nfs/dbraw/zinc/86/20/72/729862072.db2.gz NAVKZDDVWQNVHR-HNNXBMFYSA-N 1 0 355.847 2.695 20 5 FFBDRO CC(C)[NH2+]C1(CO)CCN(c2cccc(Br)c2[N+](=O)[O-])CC1 ZINC000856762065 730355787 /nfs/dbraw/zinc/35/57/87/730355787.db2.gz LAZMFBVJKHABKO-UHFFFAOYSA-N 1 0 372.263 2.687 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CCc2[nH+]ccc(N)c2C1 ZINC000857899799 730413796 /nfs/dbraw/zinc/41/37/96/730413796.db2.gz PIMMKIAXHDYNAD-UHFFFAOYSA-N 1 0 362.773 2.575 20 5 FFBDRO COCCCOCC[N@H+](C)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000779604237 738471858 /nfs/dbraw/zinc/47/18/58/738471858.db2.gz SPVFKONDIMYREU-UHFFFAOYSA-N 1 0 361.236 2.842 20 5 FFBDRO COCC[N@@H+]1CCC[C@H]1COC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000861035126 730569440 /nfs/dbraw/zinc/56/94/40/730569440.db2.gz UAYYQIVFFCUMQM-INIZCTEOSA-N 1 0 350.415 2.526 20 5 FFBDRO CO[C@@H]1C[N@H+](C)[C@@](C)(COC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)C1 ZINC000861340145 730600565 /nfs/dbraw/zinc/60/05/65/730600565.db2.gz FFZMUYULNXRSIX-RVSPLBMKSA-N 1 0 368.455 2.728 20 5 FFBDRO CO[C@H]1C[N@H+](C)[C@@](C)(COC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000861352739 730603333 /nfs/dbraw/zinc/60/33/33/730603333.db2.gz KBLBWDUJCDIMMU-FZKQIMNGSA-N 1 0 350.415 2.525 20 5 FFBDRO O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000861986738 730658838 /nfs/dbraw/zinc/65/88/38/730658838.db2.gz XTSXMHMYGAYHKO-UHFFFAOYSA-N 1 0 367.833 2.575 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(F)c(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)c1F ZINC000863031912 730744346 /nfs/dbraw/zinc/74/43/46/730744346.db2.gz KFQRFIALFMFYKP-LBPRGKRZSA-N 1 0 353.369 2.928 20 5 FFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CCC[C@@H](C(=O)N(C)C)C1 ZINC000866267869 731045113 /nfs/dbraw/zinc/04/51/13/731045113.db2.gz XZCJTYZSGREPRV-XNRPHZJLSA-N 1 0 351.422 2.902 20 5 FFBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H]1CN(C2CC2)C(=O)O1 ZINC000872085273 731728244 /nfs/dbraw/zinc/72/82/44/731728244.db2.gz OSVICDHENNEHQJ-MFKMUULPSA-N 1 0 351.428 2.951 20 5 FFBDRO Cc1ccc([C@H](C)[NH2+]CC2C[C@H]3CC[C@@H](C2)S3(=O)=O)cc1[N+](=O)[O-] ZINC000872121741 731732086 /nfs/dbraw/zinc/73/20/86/731732086.db2.gz OJWAZQXPWIZDRD-WYQXTGKHSA-N 1 0 352.456 2.910 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@H](CO)c2ccc(Cl)cc2)cc1 ZINC000872246945 731745540 /nfs/dbraw/zinc/74/55/40/731745540.db2.gz HZLULWPYYIAWAM-RHSMWYFYSA-N 1 0 350.802 2.647 20 5 FFBDRO CC1([NH+]2CCCCC2)CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000872530492 731786948 /nfs/dbraw/zinc/78/69/48/731786948.db2.gz DKDIUCHLSODJON-UHFFFAOYSA-N 1 0 367.471 2.624 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCS(=O)(=O)Cc1ccccc1 ZINC000873023815 731865360 /nfs/dbraw/zinc/86/53/60/731865360.db2.gz XMUVNKFZZFOQRU-UHFFFAOYSA-N 1 0 362.451 2.916 20 5 FFBDRO COCCOC1(C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)CCOCC1 ZINC000873129349 731878540 /nfs/dbraw/zinc/87/85/40/731878540.db2.gz NOKZRSFJKWZRNH-UHFFFAOYSA-N 1 0 352.431 2.513 20 5 FFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000873169709 731884038 /nfs/dbraw/zinc/88/40/38/731884038.db2.gz HOUYFYQTERYVOP-GOKVWUTMSA-N 1 0 364.467 2.944 20 5 FFBDRO C[NH2+]CCN(C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)C(C)C ZINC000926076289 738565318 /nfs/dbraw/zinc/56/53/18/738565318.db2.gz ILHIRKDVPFUUMC-UHFFFAOYSA-N 1 0 359.224 2.819 20 5 FFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CCOCc3ccc(Cl)cc3)C2)c1 ZINC000877121015 732325499 /nfs/dbraw/zinc/32/54/99/732325499.db2.gz OCSVIMAMNIGJLO-UHFFFAOYSA-N 1 0 350.806 2.955 20 5 FFBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000877388955 732356431 /nfs/dbraw/zinc/35/64/31/732356431.db2.gz IIHVJASSBUKPFQ-DZGCQCFKSA-N 1 0 355.847 2.741 20 5 FFBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000878336202 732516406 /nfs/dbraw/zinc/51/64/06/732516406.db2.gz UXEIFBFBNYIOGV-GHMZBOCLSA-N 1 0 365.821 2.823 20 5 FFBDRO COCC[N@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)C1CCOCC1 ZINC000879709526 732756223 /nfs/dbraw/zinc/75/62/23/732756223.db2.gz MAGCYQPOGSMALN-UHFFFAOYSA-N 1 0 373.247 2.985 20 5 FFBDRO Cc1csc([C@H]2CC[N@H+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])C2)n1 ZINC000880008762 732818832 /nfs/dbraw/zinc/81/88/32/732818832.db2.gz HDKAYOSQULOXOA-UONOGXRCSA-N 1 0 363.439 2.589 20 5 FFBDRO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000881469541 733058702 /nfs/dbraw/zinc/05/87/02/733058702.db2.gz NLRZFYMCEHCMJB-CQSZACIVSA-N 1 0 367.833 2.621 20 5 FFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](O)c1ccnn1C ZINC000927135080 738695210 /nfs/dbraw/zinc/69/52/10/738695210.db2.gz LWQOTWCJEYORIW-WFASDCNBSA-N 1 0 350.444 2.522 20 5 FFBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC[C@@H]1CCCS1(=O)=O ZINC000883309864 733366951 /nfs/dbraw/zinc/36/69/51/733366951.db2.gz WCKBJXLNDXDOTE-YPMHNXCESA-N 1 0 358.485 2.935 20 5 FFBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000883609032 733411257 /nfs/dbraw/zinc/41/12/57/733411257.db2.gz MRBTWRUJURRCTD-GFCCVEGCSA-N 1 0 360.336 2.507 20 5 FFBDRO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886118834 733751735 /nfs/dbraw/zinc/75/17/35/733751735.db2.gz QMLUNAXISUUWEY-CHWSQXEVSA-N 1 0 350.419 2.725 20 5 FFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CO)C[C@H]1CCCO1 ZINC000886668267 733814367 /nfs/dbraw/zinc/81/43/67/733814367.db2.gz PVCDHYMOZOUKQM-RBSFLKMASA-N 1 0 354.472 2.985 20 5 FFBDRO O=C(CN1CCCC[C@@]2(CC[NH2+]C2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000886872162 733851361 /nfs/dbraw/zinc/85/13/61/733851361.db2.gz LCGCPTXMNGNKTL-KRWDZBQOSA-N 1 0 366.849 2.652 20 5 FFBDRO C[N@@H+]1C[C@@H]2CN(C(=O)c3cc(C(F)(F)F)ccc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000887925045 733993789 /nfs/dbraw/zinc/99/37/89/733993789.db2.gz BUYOYVFEDWOIAB-ABAIWWIYSA-N 1 0 357.332 2.637 20 5 FFBDRO CCOc1cc(NC(=O)N2CCC[C@@H]([NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000888830946 734103522 /nfs/dbraw/zinc/10/35/22/734103522.db2.gz DTEHOQWDAWXWSA-CQSZACIVSA-N 1 0 350.419 2.942 20 5 FFBDRO CCOc1cc(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000888834673 734103871 /nfs/dbraw/zinc/10/38/71/734103871.db2.gz NIEWIYQRLGJVBB-GXTWGEPZSA-N 1 0 350.419 2.940 20 5 FFBDRO CCOc1cc(NC(=O)N2CCC[C@H]([NH2+]C(C)C)C2)ccc1[N+](=O)[O-] ZINC000888835002 734104152 /nfs/dbraw/zinc/10/41/52/734104152.db2.gz ZBDUBHOOGLQUCG-AWEZNQCLSA-N 1 0 350.419 2.988 20 5 FFBDRO CCOC(=O)N(C)C1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000726972254 734457417 /nfs/dbraw/zinc/45/74/17/734457417.db2.gz GYONKCKFHGIUGR-UHFFFAOYSA-N 1 0 351.403 2.526 20 5 FFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCCC[C@@H]2N2CCOCC2)cc1Cl ZINC000783651278 738822863 /nfs/dbraw/zinc/82/28/63/738822863.db2.gz PRGDMKFMVILIQY-WBVHZDCISA-N 1 0 353.850 2.981 20 5 FFBDRO C[C@@](CO)([NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000731844005 734699981 /nfs/dbraw/zinc/69/99/81/734699981.db2.gz FXYRBGBWRUTIEH-KRWDZBQOSA-N 1 0 363.801 2.684 20 5 FFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[NH+](C[C@@H](O)C2CC2)CC1 ZINC000734142679 734876653 /nfs/dbraw/zinc/87/66/53/734876653.db2.gz XLZZVUREGPDHCO-OAHLLOKOSA-N 1 0 359.348 2.507 20 5 FFBDRO C[N@@H+]1CCCC12CCN(CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])CC2 ZINC000784256477 738872847 /nfs/dbraw/zinc/87/28/47/738872847.db2.gz CTOVBJLRHPISDA-UHFFFAOYSA-N 1 0 366.849 2.747 20 5 FFBDRO CN(CC[NH+]1CC2(C1)CCOCC2)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000895860483 735065711 /nfs/dbraw/zinc/06/57/11/735065711.db2.gz AKKFEEUEIDGCQU-UHFFFAOYSA-N 1 0 353.850 2.792 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000740886550 735095448 /nfs/dbraw/zinc/09/54/48/735095448.db2.gz UEZPBVNWESJBRW-GXTWGEPZSA-N 1 0 368.865 2.991 20 5 FFBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CC[N@@H+]2C2CCOCC2)c(OC(F)F)c1 ZINC000896522030 735172382 /nfs/dbraw/zinc/17/23/82/735172382.db2.gz MYESOGNDOLVHAK-ZDUSSCGKSA-N 1 0 357.357 2.861 20 5 FFBDRO O=[N+]([O-])c1c(N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)cccc1C(F)(F)F ZINC000897216015 735207193 /nfs/dbraw/zinc/20/71/93/735207193.db2.gz GRBYLLJFFFBNES-STQMWFEESA-N 1 0 359.348 2.649 20 5 FFBDRO COc1c(O)ccc(C[N@@H+]2CCC[C@@H](C3CCOCC3)C2)c1[N+](=O)[O-] ZINC000897269747 735213333 /nfs/dbraw/zinc/21/33/33/735213333.db2.gz OLFZLWKGGAVDRC-CQSZACIVSA-N 1 0 350.415 2.948 20 5 FFBDRO C[C@@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)N1CCc2sccc2C1 ZINC000749674370 735737421 /nfs/dbraw/zinc/73/74/21/735737421.db2.gz WYIKVPUZHAZKJM-SUMWQHHRSA-N 1 0 361.467 2.726 20 5 FFBDRO COc1cc([C@@H](C)[NH2+]CC[S@](=O)CC(F)(F)F)cc([N+](=O)[O-])c1 ZINC000903201653 736054215 /nfs/dbraw/zinc/05/42/15/736054215.db2.gz ZAXTVOSKMQFOEU-WBNWAKSLSA-N 1 0 354.350 2.565 20 5 FFBDRO C[NH2+]C[C@@H]1CCCCN1Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000903529689 736108249 /nfs/dbraw/zinc/10/82/49/736108249.db2.gz RFEMEFJIJRAADF-LBPRGKRZSA-N 1 0 359.373 2.779 20 5 FFBDRO O=C(CC[NH2+]C[C@H]1CC[C@H](C(F)(F)F)O1)Nc1ccccc1[N+](=O)[O-] ZINC000905515774 736349510 /nfs/dbraw/zinc/34/95/10/736349510.db2.gz HFQLIYODBULQBA-ZWNOBZJWSA-N 1 0 361.320 2.623 20 5 FFBDRO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000906240751 736475302 /nfs/dbraw/zinc/47/53/02/736475302.db2.gz OZROIAPYEXCWGC-KBPBESRZSA-N 1 0 351.834 2.924 20 5 FFBDRO C[NH+](C)CC1(CNC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000759312131 736561631 /nfs/dbraw/zinc/56/16/31/736561631.db2.gz UOWDQDHXWGNOQC-UHFFFAOYSA-N 1 0 355.385 2.925 20 5 FFBDRO Cc1ccc([C@H](C)NC(=S)NCC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000760491849 736644342 /nfs/dbraw/zinc/64/43/42/736644342.db2.gz PYIMBMNSAQXQFD-ZDUSSCGKSA-N 1 0 350.488 2.770 20 5 FFBDRO C[NH+]1CCC(CNC(=S)NC(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000760493027 736644567 /nfs/dbraw/zinc/64/45/67/736644567.db2.gz VUWAASYXOYEXEX-UHFFFAOYSA-N 1 0 350.488 2.636 20 5 FFBDRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1)C2 ZINC000908534302 736790974 /nfs/dbraw/zinc/79/09/74/736790974.db2.gz BCBPXTKGBXRJSM-INIZCTEOSA-N 1 0 355.797 2.945 20 5 FFBDRO [NH3+]CCCOC1CCN(C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000911874965 737240186 /nfs/dbraw/zinc/24/01/86/737240186.db2.gz GJZRAHZKJYERDY-UHFFFAOYSA-N 1 0 369.849 2.537 20 5 FFBDRO O=C(NCc1ccccc1[N+](=O)[O-])c1cnc(CC2CC[NH2+]CC2)s1 ZINC000912256768 737284168 /nfs/dbraw/zinc/28/41/68/737284168.db2.gz YPIFISZEXCDFKY-UHFFFAOYSA-N 1 0 360.439 2.523 20 5 FFBDRO COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000768542220 737431119 /nfs/dbraw/zinc/43/11/19/737431119.db2.gz QNLSJWGYQISEGJ-GXTWGEPZSA-N 1 0 369.849 2.611 20 5 FFBDRO C[C@H](NC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12)c1cccc([N+](=O)[O-])c1 ZINC000914240142 737536724 /nfs/dbraw/zinc/53/67/24/737536724.db2.gz ZMEQQCZUFHMMIA-RCBQFDQVSA-N 1 0 364.471 2.535 20 5 FFBDRO C[NH+](C)[C@]1(CNC(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)CCSC1 ZINC000770008334 737589582 /nfs/dbraw/zinc/58/95/82/737589582.db2.gz WVRZHXPMDYVUGY-AWEZNQCLSA-N 1 0 358.851 2.807 20 5 FFBDRO CON(C)C(=O)[C@H](CCSC)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000773054712 737866747 /nfs/dbraw/zinc/86/67/47/737866747.db2.gz XCTQJVLOSORRNN-WFASDCNBSA-N 1 0 355.460 2.695 20 5 FFBDRO COc1cc(C[NH2+]C[C@@H]2CC[C@@H](C(F)(F)F)O2)c([N+](=O)[O-])cc1O ZINC000922462983 738149363 /nfs/dbraw/zinc/14/93/63/738149363.db2.gz QAHNURMNWICEPF-ZANVPECISA-N 1 0 350.293 2.509 20 5 FFBDRO O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CCC([NH2+]C2CCOCC2)CC1 ZINC000922876179 738213054 /nfs/dbraw/zinc/21/30/54/738213054.db2.gz KSJLHDQUONCPCL-UHFFFAOYSA-N 1 0 367.833 2.621 20 5 FFBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778247726 738366425 /nfs/dbraw/zinc/36/64/25/738366425.db2.gz OCHOVOWCBJAOKI-CHWSQXEVSA-N 1 0 355.385 2.923 20 5 FFBDRO CCOC(=O)c1cc([N+](=O)[O-])c(NC[C@H](C)[NH+](C)C)cc1Br ZINC000785776034 738997072 /nfs/dbraw/zinc/99/70/72/738997072.db2.gz MJFQHECGUQXQIZ-VIFPVBQESA-N 1 0 374.235 2.896 20 5 FFBDRO CC1(C)C[C@H]([NH2+]CCS(=O)(=O)CC2CC2)c2cc([N+](=O)[O-])ccc21 ZINC000788593757 739261653 /nfs/dbraw/zinc/26/16/53/739261653.db2.gz WBTBHRWIOFBILB-INIZCTEOSA-N 1 0 352.456 2.732 20 5 FFBDRO C[C@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788603587 739262680 /nfs/dbraw/zinc/26/26/80/739262680.db2.gz FHTOPLAKJRJLDK-AAEUAGOBSA-N 1 0 350.419 2.837 20 5 FFBDRO C[C@@]1([C@@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C2)COC(=O)N1 ZINC000932020610 739374716 /nfs/dbraw/zinc/37/47/16/739374716.db2.gz IJRGEPFFXPYHCJ-WBMJQRKESA-N 1 0 353.806 2.959 20 5 FFBDRO C[NH+](C)CC1CCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000790771110 739493167 /nfs/dbraw/zinc/49/31/67/739493167.db2.gz GLMNSKCMSKGWBB-UHFFFAOYSA-N 1 0 357.813 2.730 20 5 FFBDRO CC[NH+](CC)[C@H]1CCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000790811126 739498271 /nfs/dbraw/zinc/49/82/71/739498271.db2.gz KBSPAYWUKJXJIR-LBPRGKRZSA-N 1 0 357.813 2.873 20 5 FFBDRO CC[NH+]1CCC(CCNC(=O)CCc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000933543861 739647681 /nfs/dbraw/zinc/64/76/81/739647681.db2.gz KTORGXJQGDFWHG-UHFFFAOYSA-N 1 0 351.422 2.905 20 5 FFBDRO Cn1cc([C@H]2CSCCC[N@@H+]2C[C@H](O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000933976762 739713494 /nfs/dbraw/zinc/71/34/94/739713494.db2.gz UTIIHEBBAAVLTO-SJORKVTESA-N 1 0 362.455 2.542 20 5 FFBDRO O=C(C[NH2+][C@H]1CCOC12CCCC2)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000934390012 739779594 /nfs/dbraw/zinc/77/95/94/739779594.db2.gz GIFFIQSQTLJYKA-AWEZNQCLSA-N 1 0 353.806 2.878 20 5 FFBDRO CC(C)[N@@H+]1CCCN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000794345460 739880211 /nfs/dbraw/zinc/88/02/11/739880211.db2.gz DSNNEBXYCFZOIA-UHFFFAOYSA-N 1 0 354.838 2.603 20 5 FFBDRO CCNC(=O)OC[C@H]1CCCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000796165547 740110676 /nfs/dbraw/zinc/11/06/76/740110676.db2.gz VQWHUDLARDRJRP-OAHLLOKOSA-N 1 0 351.403 2.574 20 5 FFBDRO CCOc1cc(N2CC[NH+](CCCCCCO)CC2)ccc1[N+](=O)[O-] ZINC000796462542 740145347 /nfs/dbraw/zinc/14/53/47/740145347.db2.gz APQPHFJYWYBFOX-UHFFFAOYSA-N 1 0 351.447 2.668 20 5 FFBDRO CC[NH+](CC)CCCOC(=O)c1cc(Br)ncc1[N+](=O)[O-] ZINC000800194112 740499287 /nfs/dbraw/zinc/49/92/87/740499287.db2.gz VUIBAHMVPRXUEX-UHFFFAOYSA-N 1 0 360.208 2.641 20 5 FFBDRO C[C@@H]1C[NH+](CCCCNc2c([N+](=O)[O-])cccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000804539982 740882052 /nfs/dbraw/zinc/88/20/52/740882052.db2.gz RGBXTUUJPKFCJM-CHWSQXEVSA-N 1 0 352.391 2.804 20 5 FFBDRO Cc1ccc(N2CCN(c3ncc[nH]3)CC2)c([N+](=O)[O-])c1Br ZINC000808050028 741180134 /nfs/dbraw/zinc/18/01/34/741180134.db2.gz PHSATPALSQGTIN-UHFFFAOYSA-N 1 0 366.219 2.715 20 5 FFBDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3cc(Cl)ccc3[N+](=O)[O-])[C@H]2C1 ZINC000808782693 741260459 /nfs/dbraw/zinc/26/04/59/741260459.db2.gz BGERXVXBOSZWJU-RCBQFDQVSA-N 1 0 351.834 2.985 20 5 FFBDRO CN1CC[NH+](CC2CCN(Cc3ccc([N+](=O)[O-])c(Cl)c3)CC2)CC1 ZINC000809736867 741338298 /nfs/dbraw/zinc/33/82/98/741338298.db2.gz MDHLXXAHYXSTIA-UHFFFAOYSA-N 1 0 366.893 2.708 20 5 FFBDRO CN(Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000809741473 741338842 /nfs/dbraw/zinc/33/88/42/741338842.db2.gz OKNSKTODEVTERV-MRXNPFEDSA-N 1 0 366.893 2.849 20 5 FFBDRO CC[NH+](CC)CCS(=O)(=O)Oc1cc([N+](=O)[O-])c(Cl)cc1C ZINC000810049965 741377089 /nfs/dbraw/zinc/37/70/89/741377089.db2.gz IFHHIXSJLNQRRP-UHFFFAOYSA-N 1 0 350.824 2.607 20 5 FFBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000811478311 741527490 /nfs/dbraw/zinc/52/74/90/741527490.db2.gz FYXKGPCHZQTVMT-QWHCGFSZSA-N 1 0 360.241 2.854 20 5 FFBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])C[C@@H]2C1 ZINC000812342714 741611572 /nfs/dbraw/zinc/61/15/72/741611572.db2.gz MHHXZGBKANDMNU-MNOVXSKESA-N 1 0 357.332 2.637 20 5 FFBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000812394444 741616313 /nfs/dbraw/zinc/61/63/13/741616313.db2.gz REWDPHGOCRDDFF-NSHDSACASA-N 1 0 352.391 2.662 20 5 FFBDRO CCOC(=O)N[C@H](C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)CC(C)C ZINC000815557100 741945281 /nfs/dbraw/zinc/94/52/81/741945281.db2.gz MEVIHFMSBCBZBY-JSGCOSHPSA-N 1 0 352.435 2.988 20 5 FFBDRO Cc1cccc(Cl)c1C[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000997772239 742024489 /nfs/dbraw/zinc/02/44/89/742024489.db2.gz MRHRTQUCGIUMBW-RHSMWYFYSA-N 1 0 365.861 2.642 20 5 FFBDRO O=C(C[N@H+]1CCC[C@@H](CCO)CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000817298449 742120322 /nfs/dbraw/zinc/12/03/22/742120322.db2.gz LZCRIISHTNMNGO-GFCCVEGCSA-N 1 0 355.822 2.671 20 5 FFBDRO O=C(NC1CC[NH+](Cc2cc3ccccc3s2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001002787414 742173816 /nfs/dbraw/zinc/17/38/16/742173816.db2.gz JVEQLDOSSQCVRK-HZPDHXFCSA-N 1 0 359.451 2.647 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2CCN(c3ncccc3Cl)C2)c1 ZINC000819155793 742345322 /nfs/dbraw/zinc/34/53/22/742345322.db2.gz XCBUQLRCLOUHJX-XJKSGUPXSA-N 1 0 362.817 2.545 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2CCN(c3ncccc3Cl)C2)cc1 ZINC000819156157 742345481 /nfs/dbraw/zinc/34/54/81/742345481.db2.gz YUWIMUOAMSXUFV-CZUORRHYSA-N 1 0 362.817 2.545 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCOc2ncc(Cl)cc2Cl)cc1 ZINC000819162160 742346416 /nfs/dbraw/zinc/34/64/16/742346416.db2.gz QNZOEOCVFRASJA-CQSZACIVSA-N 1 0 372.208 2.999 20 5 FFBDRO O=C(CC[NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12)Nc1ccccc1[N+](=O)[O-] ZINC000819196404 742351763 /nfs/dbraw/zinc/35/17/63/742351763.db2.gz BNPSYEMLPVUGPI-INWMFGNUSA-N 1 0 367.496 2.893 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@H]2COC3(CCCCCC3)O2)c1 ZINC000819213498 742355021 /nfs/dbraw/zinc/35/50/21/742355021.db2.gz TYLIXGIHKQPQDJ-IAGOWNOFSA-N 1 0 350.415 2.684 20 5 FFBDRO CCN(C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N)C1CC[NH+](C)CC1 ZINC000821400396 742621380 /nfs/dbraw/zinc/62/13/80/742621380.db2.gz AOMNQIZXTVIVEK-UHFFFAOYSA-N 1 0 358.801 2.526 20 5 FFBDRO CC[N@H+](CCNC(=O)c1cc(Cl)c([N+](=O)[O-])cc1NC(C)=O)C(C)C ZINC000823315868 742880404 /nfs/dbraw/zinc/88/04/04/742880404.db2.gz VTSKEOOBIQXHEG-UHFFFAOYSA-N 1 0 370.837 2.667 20 5 FFBDRO CC1(C)CCC(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1 ZINC001034643818 742927277 /nfs/dbraw/zinc/92/72/77/742927277.db2.gz TWRANTABWBYUIE-QBPKDAKJSA-N 1 0 351.491 2.885 20 5 FFBDRO O=C(N[C@H]1CC[C@H]([NH2+]Cc2ccccc2Cl)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001034643922 742927579 /nfs/dbraw/zinc/92/75/79/742927579.db2.gz UVPKIBZNUBBJOW-IXYNUQLISA-N 1 0 351.834 2.522 20 5 FFBDRO Cn1ccnc1[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CCO1 ZINC000825325590 743248750 /nfs/dbraw/zinc/24/87/50/743248750.db2.gz FWXAPLLSMXBGAV-HIFRSBDPSA-N 1 0 350.806 2.992 20 5 FFBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(Br)cc3[N+](=O)[O-])CC[C@H]21 ZINC000827311622 743553711 /nfs/dbraw/zinc/55/37/11/743553711.db2.gz QJMKOMBBXAGOKU-ZWNOBZJWSA-N 1 0 368.231 2.524 20 5 FFBDRO C[N@@H+]1CC[C@H]2CN(C(=O)CCOc3ccc(Cl)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000827321129 743554388 /nfs/dbraw/zinc/55/43/88/743554388.db2.gz UNAYYXCVPCNWAK-JSGCOSHPSA-N 1 0 367.833 2.570 20 5 FFBDRO CC1([NH+]2CCC2)CCN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)CC1 ZINC000829454967 745208374 /nfs/dbraw/zinc/20/83/74/745208374.db2.gz DSKWKCMXHYYDEL-UHFFFAOYSA-N 1 0 370.812 2.670 20 5 FFBDRO C[C@H]1C[C@H](N(C)CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000839502979 746841871 /nfs/dbraw/zinc/84/18/71/746841871.db2.gz IPAACYYQYLAQAY-WCQYABFASA-N 1 0 354.838 2.601 20 5 FFBDRO CCCN(C(=O)NCc1cc([N+](=O)[O-])ccc1Cl)C1CC[NH2+]CC1 ZINC000841854483 747476219 /nfs/dbraw/zinc/47/62/19/747476219.db2.gz ARKMCNYYMYWNHG-UHFFFAOYSA-N 1 0 354.838 2.922 20 5 FFBDRO O=C(CN1CCC([C@H]2CCC[NH2+]2)CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000842472359 747612389 /nfs/dbraw/zinc/61/23/89/747612389.db2.gz FASOLNSYQJKTEA-OAHLLOKOSA-N 1 0 366.849 2.651 20 5 FFBDRO O=C(CN1CCCC[C@@H]1[C@H]1CC[NH2+]C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000842474512 747612447 /nfs/dbraw/zinc/61/24/47/747612447.db2.gz UMKBJGUQWPCUOE-SWLSCSKDSA-N 1 0 366.849 2.651 20 5 FFBDRO NC[C@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C1CCCCC1 ZINC000842476464 747612975 /nfs/dbraw/zinc/61/29/75/747612975.db2.gz PDDSXWQJWBWLBN-INIZCTEOSA-N 1 0 352.410 2.560 20 5 FFBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N[C@@H]1CC[NH2+]C12CCCC2 ZINC000843513706 747847413 /nfs/dbraw/zinc/84/74/13/747847413.db2.gz AIWODCKGBKEPCI-CQSZACIVSA-N 1 0 355.797 2.721 20 5 FFBDRO C[C@@H]([C@@H](OC(=O)C1CC[NH+](C2CC2)CC1)c1ccccc1F)[N+](=O)[O-] ZINC000845881683 748343799 /nfs/dbraw/zinc/34/37/99/748343799.db2.gz MBVKUWJFCFNSOZ-YVEFUNNKSA-N 1 0 350.390 2.950 20 5 FFBDRO COc1ccc(CSCC(=O)OCC[C@@H]2CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000847826317 748790874 /nfs/dbraw/zinc/79/08/74/748790874.db2.gz VVJNZBMAMMPUOT-ZDUSSCGKSA-N 1 0 368.455 2.722 20 5 FFBDRO CC[C@H](CSC)[N@H+](C)CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848483502 748937847 /nfs/dbraw/zinc/93/78/47/748937847.db2.gz IIOYSEWZTACRQG-ZBFHGGJFSA-N 1 0 351.472 2.942 20 5 FFBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000848510495 748946683 /nfs/dbraw/zinc/94/66/83/748946683.db2.gz TXEPIJRAFUUAEN-QWHCGFSZSA-N 1 0 373.862 2.543 20 5 FFBDRO C[N@@H+]1CC[C@]2(C1)CCCN(CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C2 ZINC000852108932 749775661 /nfs/dbraw/zinc/77/56/61/749775661.db2.gz PZVKGMZOAFHHMJ-KRWDZBQOSA-N 1 0 366.849 2.604 20 5 FFBDRO CCOC(=O)[C@@H]1CC[C@H](C)[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000852203492 749801753 /nfs/dbraw/zinc/80/17/53/749801753.db2.gz BXTUINBNMCENNP-NSNWQYSKSA-N 1 0 350.415 2.680 20 5 FFBDRO C[C@H]1CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@H]1CCO ZINC000852463428 749867481 /nfs/dbraw/zinc/86/74/81/749867481.db2.gz VXGXOPGPQGRJQD-LRDDRELGSA-N 1 0 353.394 2.545 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]Cc2cccc3c2OC(F)(F)O3)c1 ZINC000853127445 750013405 /nfs/dbraw/zinc/01/34/05/750013405.db2.gz RMVNCTKMDDCINL-CYBMUJFWSA-N 1 0 352.293 2.740 20 5 FFBDRO Cc1c(CNc2ccc(C(=O)NCC[NH+](C)C)cc2)cccc1[N+](=O)[O-] ZINC000871864823 1013091660 /nfs/dbraw/zinc/09/16/60/1013091660.db2.gz NLHWWRFCRXWUAT-UHFFFAOYSA-N 1 0 356.426 2.807 20 5 FFBDRO C[C@H](NC(=O)c1cc2ccccc2c2cccnc12)[C@@H]1C[N@H+](C)CCN1C ZINC000896569858 971594855 /nfs/dbraw/zinc/59/48/55/971594855.db2.gz JESHXHYSVYJZLD-YWZLYKJASA-N 1 0 362.477 2.752 20 5 FFBDRO O=C(N[C@H]1CC[C@H]([NH2+]CCCCc2ccccc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001267923604 971638395 /nfs/dbraw/zinc/63/83/95/971638395.db2.gz ABYWJMAQKYXBLY-NCXUSEDFSA-N 1 0 359.470 2.692 20 5 FFBDRO C[NH+](C)CC[C@@H](NCc1nc2cc([N+](=O)[O-])ccc2o1)c1cccnc1 ZINC000896716527 971679416 /nfs/dbraw/zinc/67/94/16/971679416.db2.gz IQQFXIJNTHIZMY-OAHLLOKOSA-N 1 0 355.398 2.914 20 5 FFBDRO O=C(NCCC1CC[NH+](Cc2cccc(Cl)c2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001267943626 971692455 /nfs/dbraw/zinc/69/24/55/971692455.db2.gz VVVMNFZXPRTCFL-IAGOWNOFSA-N 1 0 365.861 2.724 20 5 FFBDRO O=[N+]([O-])c1cc2c(nc1NC1CC[NH+](C[C@H]3CCCO3)CC1)CCCC2 ZINC000825583039 1013142210 /nfs/dbraw/zinc/14/22/10/1013142210.db2.gz JHTNCFPZQICJKK-MRXNPFEDSA-N 1 0 360.458 2.924 20 5 FFBDRO O=C1CN(C[N@@H+]2CCC[C@@H]2C2CCC2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000728195242 959392894 /nfs/dbraw/zinc/39/28/94/959392894.db2.gz DLZVTOFELMWEMJ-MRXNPFEDSA-N 1 0 358.398 2.585 20 5 FFBDRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000009931982 1013313494 /nfs/dbraw/zinc/31/34/94/1013313494.db2.gz UFRWXNDCMHOUES-UHFFFAOYSA-N 1 0 356.426 2.949 20 5 FFBDRO O=C(C[N@@H+]1CCC[C@@H]1C1CCC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000728288912 962468084 /nfs/dbraw/zinc/46/80/84/962468084.db2.gz KBBGKUYTLPBOCE-LJQANCHMSA-N 1 0 372.469 2.508 20 5 FFBDRO Cn1ccnc1[C@H](NC[C@H]1CCC(C)(C)C[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC000873236742 1013438044 /nfs/dbraw/zinc/43/80/44/1013438044.db2.gz JJYKUFBPOMXPLQ-NVXWUHKLSA-N 1 0 357.458 2.786 20 5 FFBDRO CCn1cnc2c1CC[N@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)C2 ZINC000933260254 963766384 /nfs/dbraw/zinc/76/63/84/963766384.db2.gz SOMUNINBLJOUHK-UHFFFAOYSA-N 1 0 357.414 2.507 20 5 FFBDRO O=[N+]([O-])c1cnc2ccc(F)cc2c1NC1CC[NH+](C2CCOCC2)CC1 ZINC000894517469 965439784 /nfs/dbraw/zinc/43/97/84/965439784.db2.gz YQIPOYMJDAUWAE-UHFFFAOYSA-N 1 0 374.416 2.759 20 5 FFBDRO CC(C)[C@H]1CCN1C(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000934041223 965540747 /nfs/dbraw/zinc/54/07/47/965540747.db2.gz VSZSBKDERYLJFA-MRXNPFEDSA-N 1 0 361.446 2.609 20 5 FFBDRO Nc1ccc(C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)cc1[N+](=O)[O-] ZINC000108578094 967362560 /nfs/dbraw/zinc/36/25/60/967362560.db2.gz BWMXKDTZPZCLMO-UHFFFAOYSA-N 1 0 360.458 2.905 20 5 FFBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000892335976 967482221 /nfs/dbraw/zinc/48/22/21/967482221.db2.gz XZLZDHUHVIAENU-UHFFFAOYSA-N 1 0 368.437 2.625 20 5 FFBDRO C[C@@H](Nc1ccc([N+](=O)[O-])c(-c2ccccc2)n1)[C@H]1C[N@H+](C)CCN1C ZINC000895247764 968761499 /nfs/dbraw/zinc/76/14/99/968761499.db2.gz WFFKBKSARSTFMK-RHSMWYFYSA-N 1 0 355.442 2.703 20 5 FFBDRO COc1c(O)ccc(C[NH2+]C[C@H](c2ccc(F)cc2)N(C)C)c1[N+](=O)[O-] ZINC000892625994 969629613 /nfs/dbraw/zinc/62/96/13/969629613.db2.gz KJZHHZZOZFGWMN-OAHLLOKOSA-N 1 0 363.389 2.841 20 5 FFBDRO COc1c(O)ccc(C[NH2+][C@H](Cc2ccccc2)CN(C)C)c1[N+](=O)[O-] ZINC000892649484 969699125 /nfs/dbraw/zinc/69/91/25/969699125.db2.gz PODWDVZWOJXRIO-MRXNPFEDSA-N 1 0 359.426 2.572 20 5 FFBDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000874845396 1013916556 /nfs/dbraw/zinc/91/65/56/1013916556.db2.gz GGJZLLIUHJJPMO-FUHWJXTLSA-N 1 0 372.469 2.506 20 5 FFBDRO C[C@H](CNC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000897058672 973203608 /nfs/dbraw/zinc/20/36/08/973203608.db2.gz PYOUZGFCXVWOOU-PMPSAXMXSA-N 1 0 360.458 2.967 20 5 FFBDRO Cc1ccc(CNC(=O)N2CCC(C[NH+]3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000876172229 1014157545 /nfs/dbraw/zinc/15/75/45/1014157545.db2.gz UDYAGQOYYRDYNX-UHFFFAOYSA-N 1 0 360.458 2.921 20 5 FFBDRO C[N@H+](Cc1ccc2ccccc2c1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985434865 974072226 /nfs/dbraw/zinc/07/22/26/974072226.db2.gz VURXSYCIVMMRJO-WOJBJXKFSA-N 1 0 367.449 2.928 20 5 FFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CCC[N@H+](Cc1ccc(C3CC3)cc1)C2 ZINC000981763771 976764102 /nfs/dbraw/zinc/76/41/02/976764102.db2.gz KLVQVBKGZDMSRN-RTBURBONSA-N 1 0 369.465 2.654 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000843802943 976843556 /nfs/dbraw/zinc/84/35/56/976843556.db2.gz FQTVCTTYZMLAIH-SMDDNHRTSA-N 1 0 364.402 2.756 20 5 FFBDRO CCc1ccccc1C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@]2(C)C1 ZINC000982278856 977375522 /nfs/dbraw/zinc/37/55/22/977375522.db2.gz TUFLUECSSFFWCV-UKAVVXHISA-N 1 0 371.481 2.585 20 5 FFBDRO Cc1cc(C[NH+]2CCC(CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c(C)s1 ZINC001482043260 977955155 /nfs/dbraw/zinc/95/51/55/977955155.db2.gz QMKIGVNNAOMBOP-IAGOWNOFSA-N 1 0 365.499 2.748 20 5 FFBDRO Cc1c(C)c(C)c(C[NH2+]C/C=C/CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c(C)c1C ZINC001268543292 977956626 /nfs/dbraw/zinc/95/66/26/977956626.db2.gz VMBGGHPIHKXEJQ-WAQVGJNASA-N 1 0 359.470 2.656 20 5 FFBDRO C[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[C@H](O)c1ccc(F)cc1 ZINC000877034536 1014456452 /nfs/dbraw/zinc/45/64/52/1014456452.db2.gz JQDQQCQCBGYDLS-YJYMSZOUSA-N 1 0 374.416 2.809 20 5 FFBDRO CCc1ccccc1C[N@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001029964480 980155459 /nfs/dbraw/zinc/15/54/59/980155459.db2.gz LBPVTWWORZSAAI-RTBURBONSA-N 1 0 359.470 2.585 20 5 FFBDRO Cn1cc(CN2CC[C@@]3(C2)CCCC[NH2+]3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000904431542 980273123 /nfs/dbraw/zinc/27/31/23/980273123.db2.gz WDLSUQUBCSUVMV-LJQANCHMSA-N 1 0 355.442 2.713 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CC[C@@H]2CCC3(CCOCC3)CO2)c1 ZINC000905475088 980443131 /nfs/dbraw/zinc/44/31/31/980443131.db2.gz YRNSHGKYXQDSIP-ZWKOTPCHSA-N 1 0 364.442 2.584 20 5 FFBDRO COc1cc(CN2CC[C@H]3[C@H](CC[N@@H+]3C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000877743309 1014704564 /nfs/dbraw/zinc/70/45/64/1014704564.db2.gz JNIOJSKHEXBNCV-YPMHNXCESA-N 1 0 371.384 2.731 20 5 FFBDRO O=[N+]([O-])c1ccccc1-c1nnc(CN[C@]2(CO)CCc3ccccc32)o1 ZINC001168264461 981241377 /nfs/dbraw/zinc/24/13/77/981241377.db2.gz IXEFYKDADMGLAL-IBGZPJMESA-N 1 0 366.377 2.568 20 5 FFBDRO Cc1cccc2c1CCN([C@@H]1CC(=O)N(c3cccc([N+](=O)[O-])c3)C1=O)C2 ZINC000729679931 981285512 /nfs/dbraw/zinc/28/55/12/981285512.db2.gz VMVSOHPDFGZVQB-GOSISDBHSA-N 1 0 365.389 2.593 20 5 FFBDRO O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000908249039 981399857 /nfs/dbraw/zinc/39/98/57/981399857.db2.gz JVEDGUKYRDHJTM-KBXCAEBGSA-N 1 0 356.426 2.752 20 5 FFBDRO C[NH+]1CCC2(CCC(NC(=O)COc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000908499888 981448464 /nfs/dbraw/zinc/44/84/64/981448464.db2.gz ABEQHJDRUYEQJT-UHFFFAOYSA-N 1 0 361.442 2.744 20 5 FFBDRO O=[N+]([O-])c1ccc(CC[NH2+]CC2(OCCO)CCC(C(F)F)CC2)cc1 ZINC000897541428 981970645 /nfs/dbraw/zinc/97/06/45/981970645.db2.gz PYYAMSIQMRYHPY-UHFFFAOYSA-N 1 0 372.412 2.930 20 5 FFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@]1(c2cnn(C)c2)CCCO1 ZINC000898056007 982602285 /nfs/dbraw/zinc/60/22/85/982602285.db2.gz AYUPOFCTDMXEDL-KXBFYZLASA-N 1 0 358.442 2.945 20 5 FFBDRO C[N@@H+]1CCCC[C@H]1CCOC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000763852938 983863538 /nfs/dbraw/zinc/86/35/38/983863538.db2.gz FYSCSXVCNQZCBW-AWEZNQCLSA-N 1 0 358.398 2.812 20 5 FFBDRO COc1ccc(CC(=O)N2CCCC[C@@H]2[C@@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000912811625 984123049 /nfs/dbraw/zinc/12/30/49/984123049.db2.gz LYAXGZHFORWDMU-GOEBONIOSA-N 1 0 363.458 2.725 20 5 FFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([NH2+]Cc2ccc3ccccc3c2)CC1 ZINC000996441889 984346843 /nfs/dbraw/zinc/34/68/43/984346843.db2.gz RXXNUCYTEJMSEP-RTBURBONSA-N 1 0 353.422 2.586 20 5 FFBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000055748205 984379783 /nfs/dbraw/zinc/37/97/83/984379783.db2.gz MTJDFOGZYXHWPN-FRRDWIJNSA-N 1 0 364.402 2.599 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC([C@@H](O)c2ccccc2C)CC1 ZINC000878607472 1015129726 /nfs/dbraw/zinc/12/97/26/1015129726.db2.gz XKFZIHSPYXWTCI-LJQANCHMSA-N 1 0 358.442 2.854 20 5 FFBDRO C[C@H]1CN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)CC[N@@H+](C2CC2)C1 ZINC000878658206 1015155311 /nfs/dbraw/zinc/15/53/11/1015155311.db2.gz VCTWGSDXYFYEIC-ZDUSSCGKSA-N 1 0 357.414 2.561 20 5 FFBDRO CCOC(=O)c1cc(O)c(Br)c(O[C@H](C)C[N+](C)(C)C)c1 ZINC001234058836 986947749 /nfs/dbraw/zinc/94/77/49/986947749.db2.gz COWMVERWBFTDMP-SNVBAGLBSA-O 1 0 361.256 2.805 20 5 FFBDRO COCCN(CC1CC[NH+](C)CC1)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000879124469 1015374842 /nfs/dbraw/zinc/37/48/42/1015374842.db2.gz VAOJARPWCHXAQV-UHFFFAOYSA-N 1 0 364.446 2.725 20 5 FFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC1(O)CCC2(CC1)OCCO2 ZINC000922624778 988756762 /nfs/dbraw/zinc/75/67/62/988756762.db2.gz TXNQTYIEKAAKMA-RVDMUPIBSA-N 1 0 362.426 2.636 20 5 FFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@](C)(O)c1ccccc1 ZINC000765999476 988890045 /nfs/dbraw/zinc/89/00/45/988890045.db2.gz UPXKLHXNKCKZLY-IFXJQAMLSA-N 1 0 357.410 2.809 20 5 FFBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC2(CC1)CC[NH+](C)CC2 ZINC000879249587 1015438422 /nfs/dbraw/zinc/43/84/22/1015438422.db2.gz VQPLLZVGGNNDIH-HNNXBMFYSA-N 1 0 360.458 2.730 20 5 FFBDRO CC(C)(C)[NH+]1CCC(NC(=O)NCCNc2ccccc2[N+](=O)[O-])CC1 ZINC000193848603 989089919 /nfs/dbraw/zinc/08/99/19/989089919.db2.gz YAELGBMDAUIMTL-UHFFFAOYSA-N 1 0 363.462 2.569 20 5 FFBDRO C[C@@H](NC(=O)N1CCC[C@@H](c2nccn2C)C1)c1cccc([N+](=O)[O-])c1 ZINC000444186528 989690612 /nfs/dbraw/zinc/69/06/12/989690612.db2.gz IXUZKCUFQOMDAC-UKRRQHHQSA-N 1 0 357.414 2.979 20 5 FFBDRO CNc1ccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1[N+](=O)[O-] ZINC000916556752 989823517 /nfs/dbraw/zinc/82/35/17/989823517.db2.gz HPUMSHOPSSHBCW-UHFFFAOYSA-N 1 0 369.425 2.641 20 5 FFBDRO CCCc1ncc(CNC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)o1 ZINC001128862782 989950959 /nfs/dbraw/zinc/95/09/59/989950959.db2.gz JLHLVDCKRZGWIF-UHFFFAOYSA-N 1 0 355.354 2.651 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@H](O)c2cccc(C(F)(F)F)c2)cc1 ZINC000916966395 990080958 /nfs/dbraw/zinc/08/09/58/990080958.db2.gz DMBGMAPUNKYDHE-CVEARBPZSA-N 1 0 370.327 2.970 20 5 FFBDRO CC[N@H+](CN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O)C1CCCC1 ZINC000917463000 990220532 /nfs/dbraw/zinc/22/05/32/990220532.db2.gz UTKBLGPASFNWKR-SFHVURJKSA-N 1 0 360.414 2.584 20 5 FFBDRO Cn1ccnc1[C@@H]1CCCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000444657042 990299989 /nfs/dbraw/zinc/29/99/89/990299989.db2.gz IYIZASYJYBHTTM-GFCCVEGCSA-N 1 0 353.382 2.829 20 5 FFBDRO O=[N+]([O-])c1ccc(OCCCN2CCC[N@H+](C[C@@H]3CCCO3)CC2)cc1 ZINC000918021444 990318569 /nfs/dbraw/zinc/31/85/69/990318569.db2.gz ILVNYUHHVFBZMW-IBGZPJMESA-N 1 0 363.458 2.550 20 5 FFBDRO CCOC(=O)CC[C@H]1CCC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000154871800 990550010 /nfs/dbraw/zinc/55/00/10/990550010.db2.gz FFNHPDJTXJWYQP-CQSZACIVSA-N 1 0 360.414 2.957 20 5 FFBDRO Cn1nnc2c1C[C@H]([NH2+]Cc1ccc(-c3cccc([N+](=O)[O-])c3)o1)CC2 ZINC000922993918 990784307 /nfs/dbraw/zinc/78/43/07/990784307.db2.gz PRMKMLGANMBYES-CYBMUJFWSA-N 1 0 353.382 2.630 20 5 FFBDRO COc1cccc(C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000195438098 990944579 /nfs/dbraw/zinc/94/45/79/990944579.db2.gz ZHFOXTKVWXXZOS-OAHLLOKOSA-N 1 0 361.373 2.775 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H](O)CN(Cc2ccccn2)[C@H]2CCC[NH2+]CC2)c1 ZINC000923337153 991075320 /nfs/dbraw/zinc/07/53/20/991075320.db2.gz XFRKRKIIGGDCJM-AZUAARDMSA-N 1 0 370.453 2.668 20 5 FFBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@@H](Cc1cccnc1)C1CCCC1 ZINC000879674284 1015632605 /nfs/dbraw/zinc/63/26/05/1015632605.db2.gz DZUXODMAYVIYKT-SFHVURJKSA-N 1 0 356.426 2.543 20 5 FFBDRO CN(C(=O)/C=C\c1ccc(OCC[NH+](C)C)cc1)c1ccc([N+](=O)[O-])nc1 ZINC000808794446 994267815 /nfs/dbraw/zinc/26/78/15/994267815.db2.gz KCTOVMUREJQVLU-WDZFZDKYSA-N 1 0 370.409 2.606 20 5 FFBDRO CC(C)[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1nncn1C ZINC000809691516 994568798 /nfs/dbraw/zinc/56/87/98/994568798.db2.gz IZHXJCIOOAFDSZ-QGZVFWFLSA-N 1 0 358.446 2.679 20 5 FFBDRO Cn1cc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)c(-c2ccccc2)n1 ZINC000809735033 994585287 /nfs/dbraw/zinc/58/52/87/994585287.db2.gz QKPSCAZDYNHFON-UHFFFAOYSA-N 1 0 351.410 2.961 20 5 FFBDRO O=C(NC1CC1)OC[C@H]1CCCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000810039274 994687504 /nfs/dbraw/zinc/68/75/04/994687504.db2.gz USBFIOUZBNRKIR-MRXNPFEDSA-N 1 0 363.414 2.717 20 5 FFBDRO CC[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H](C)[C@@H](O)c1ccccc1 ZINC000812849846 995551559 /nfs/dbraw/zinc/55/15/59/995551559.db2.gz KGPVLYBURVXODE-FZKQIMNGSA-N 1 0 357.410 2.638 20 5 FFBDRO Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000824828118 997115690 /nfs/dbraw/zinc/11/56/90/997115690.db2.gz LGAJWKHEJJSPGP-ZIAGYGMSSA-N 1 0 371.359 2.746 20 5 FFBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)[N@@H+]1CCCC[C@H]1C ZINC000825460549 997386754 /nfs/dbraw/zinc/38/67/54/997386754.db2.gz AHPAKNJVZGSREG-CHWSQXEVSA-N 1 0 366.437 2.793 20 5 FFBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000843843754 997438848 /nfs/dbraw/zinc/43/88/48/997438848.db2.gz ZFYOCGNAVQKHLU-OAHLLOKOSA-N 1 0 374.485 2.997 20 5 FFBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000843843753 997439240 /nfs/dbraw/zinc/43/92/40/997439240.db2.gz ZFYOCGNAVQKHLU-HNNXBMFYSA-N 1 0 374.485 2.997 20 5 FFBDRO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](c1ccccc1)N1CC[NH2+]CC1 ZINC000844217570 997708432 /nfs/dbraw/zinc/70/84/32/997708432.db2.gz GPEAYUPLPAGJAU-QGZVFWFLSA-N 1 0 374.828 2.833 20 5 FFBDRO COc1ccc(C2CC[NH+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC2)nc1 ZINC000844350898 997820691 /nfs/dbraw/zinc/82/06/91/997820691.db2.gz LQKIDZWQCKOKBY-LJQANCHMSA-N 1 0 357.410 2.911 20 5 FFBDRO Nc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)cc1[N+](=O)[O-] ZINC000731476114 997941703 /nfs/dbraw/zinc/94/17/03/997941703.db2.gz VDBSTSSCRHWRJD-INIZCTEOSA-N 1 0 360.458 2.952 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])ncc1-n1cc(C[C@@H](C)[NH3+])c2ccc(C)cc21 ZINC001171166148 998389148 /nfs/dbraw/zinc/38/91/48/998389148.db2.gz ALXBKQICYMEYAZ-GFCCVEGCSA-N 1 0 368.393 2.918 20 5 FFBDRO COc1ccc(C(=O)N(C)c2ccc(OCC[NH+](C)C)cc2)cc1[N+](=O)[O-] ZINC000732006084 998393922 /nfs/dbraw/zinc/39/39/22/998393922.db2.gz MAAKZBKQDXRZBK-UHFFFAOYSA-N 1 0 373.409 2.820 20 5 FFBDRO Cc1ccc2c(C[C@@H](C)[NH3+])cn(-c3cc([N+](=O)[O-])c4nncn4c3)c2c1 ZINC001171169066 998401252 /nfs/dbraw/zinc/40/12/52/998401252.db2.gz NHABNHWWFKWLHG-GFCCVEGCSA-N 1 0 350.382 2.780 20 5 FFBDRO COc1cc(C(=O)O[C@@H](C)C[NH+]2CCCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000845669461 998628616 /nfs/dbraw/zinc/62/86/16/998628616.db2.gz JKDKXWXZUCUTDM-JTQLQIEISA-N 1 0 374.340 2.846 20 5 FFBDRO Cc1ccc(NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)c(C[NH+](C)C)c1 ZINC000733782381 999071072 /nfs/dbraw/zinc/07/10/72/999071072.db2.gz UJDHZMUHMBFKNW-UHFFFAOYSA-N 1 0 367.409 2.953 20 5 FFBDRO C[C@H](C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[NH+]1CCCCCC1 ZINC000733873784 999092396 /nfs/dbraw/zinc/09/23/96/999092396.db2.gz XVVZWYYHRSSGRC-MRXNPFEDSA-N 1 0 360.458 2.508 20 5 FFBDRO Cc1ccc2ccccc2c1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001086082842 999754800 /nfs/dbraw/zinc/75/48/00/999754800.db2.gz FSGMNHPEGVAKHR-IHMNZUQTSA-N 1 0 367.449 2.798 20 5 FFBDRO C[C@@H]1CCC[N@@H+]1CCNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000742241816 999765892 /nfs/dbraw/zinc/76/58/92/999765892.db2.gz XKIOTIQFGTXVPJ-MRXNPFEDSA-N 1 0 363.461 2.755 20 5 FFBDRO Cc1ccc2c(ccnc2-n2nnc(-c3cccc(C[NH3+])c3)n2)c1[N+](=O)[O-] ZINC001168877895 1000005720 /nfs/dbraw/zinc/00/57/20/1000005720.db2.gz HQUGPZFFHNPBRA-UHFFFAOYSA-N 1 0 361.365 2.553 20 5 FFBDRO CC(C)(C)OC(=O)N1CCC(C(=[NH2+])N[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168978072 1000012089 /nfs/dbraw/zinc/01/20/89/1000012089.db2.gz ODFMWJMZCVJSJN-TZMCWYRMSA-N 1 0 354.451 2.646 20 5 FFBDRO O=C(c1ccccc1F)N1CCC(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168991421 1000013673 /nfs/dbraw/zinc/01/36/73/1000013673.db2.gz GSUJJOUKRPUYRB-JKSUJKDBSA-N 1 0 363.433 2.713 20 5 FFBDRO COc1ccc(-n2c(CCC[NH3+])nc3ccc(Cl)cc32)nc1[N+](=O)[O-] ZINC001168995733 1000014070 /nfs/dbraw/zinc/01/40/70/1000014070.db2.gz MSJRZMVSSYBXSV-UHFFFAOYSA-N 1 0 361.789 2.882 20 5 FFBDRO O=C(N[C@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1)c1cccc(F)c1 ZINC001168998005 1000014226 /nfs/dbraw/zinc/01/42/26/1000014226.db2.gz HDAYCZCRYUIYSD-BNEJOLLZSA-N 1 0 363.433 2.902 20 5 FFBDRO O=C(N[C@H]1CC[C@H]([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1)c1ccccc1F ZINC001168997766 1000014267 /nfs/dbraw/zinc/01/42/67/1000014267.db2.gz FPDBPHAIKBKAAA-YHUYYLMFSA-N 1 0 363.433 2.902 20 5 FFBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H]2CCN(Cc3ccccc3)CC2(F)F)C1 ZINC001169001696 1000014665 /nfs/dbraw/zinc/01/46/65/1000014665.db2.gz HOJANDHRHNDMHJ-IKGGRYGDSA-N 1 0 353.413 2.931 20 5 FFBDRO CC(C)(C)OC(=O)N1CCC[C@]12CC[N@@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169011811 1000015696 /nfs/dbraw/zinc/01/56/96/1000015696.db2.gz MLGMBZGUDFVQEU-HDMKZQKVSA-N 1 0 353.463 2.907 20 5 FFBDRO Cc1ccc(N2C[C@]3(CC[N@@H+]([C@@H]4CC[C@H](C[N+](=O)[O-])C4)C3)CC2=O)cc1 ZINC001169030279 1000016228 /nfs/dbraw/zinc/01/62/28/1000016228.db2.gz XWLBPDBIYOJUJE-ILZDJORESA-N 1 0 357.454 2.869 20 5 FFBDRO O=C(c1ccc(Cl)cc1)N1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169038954 1000016902 /nfs/dbraw/zinc/01/69/02/1000016902.db2.gz LUGSUMWVPSTPTD-BBRMVZONSA-N 1 0 351.834 2.543 20 5 FFBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2CCC[C@@]3(C[C@H](Oc4cccnc4)CO3)C2)C1 ZINC001169026220 1000018252 /nfs/dbraw/zinc/01/82/52/1000018252.db2.gz VYDZSLOGBDCAFH-PBWTXFEYSA-N 1 0 361.442 2.529 20 5 FFBDRO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@@H]12 ZINC001169052556 1000018914 /nfs/dbraw/zinc/01/89/14/1000018914.db2.gz HFSXODWPLMEOLV-UYJHQMFVSA-N 1 0 353.463 2.667 20 5 FFBDRO O=[N+]([O-])c1cc(NCc2ncn3c2C[NH2+]CCC3)cc(C(F)(F)F)c1 ZINC001169242725 1000034132 /nfs/dbraw/zinc/03/41/32/1000034132.db2.gz WMJQSPJRXWSZSS-UHFFFAOYSA-N 1 0 355.320 2.916 20 5 FFBDRO CC(=O)Nc1cc(NCC[C@H]2CCC[NH2+]2)c([N+](=O)[O-])cc1Br ZINC001169568951 1000059314 /nfs/dbraw/zinc/05/93/14/1000059314.db2.gz GVRIVRMPFCCALF-SNVBAGLBSA-N 1 0 371.235 2.870 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1Cc1nc(-c2ccc3c(n2)CC[NH2+]C3)no1 ZINC001206112262 1032147700 /nfs/dbraw/zinc/14/77/00/1032147700.db2.gz BDZSBQNAFCQLJM-UHFFFAOYSA-N 1 0 351.366 2.585 20 5 FFBDRO CCc1nn(C)c(NC2CC[NH+](Cc3cccc(OC)c3)CC2)c1[N+](=O)[O-] ZINC000769862335 1000613941 /nfs/dbraw/zinc/61/39/41/1000613941.db2.gz UJANHCOFDMMMSH-UHFFFAOYSA-N 1 0 373.457 2.976 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH+]2CCC(CO)(Cc3ccccc3)CC2)cc1 ZINC000769992646 1000650259 /nfs/dbraw/zinc/65/02/59/1000650259.db2.gz XIORXUAGUNTZLG-HXUWFJFHSA-N 1 0 370.449 2.945 20 5 FFBDRO Cc1cc(C(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)c(N)c([N+](=O)[O-])c1 ZINC000771598400 1001154342 /nfs/dbraw/zinc/15/43/42/1001154342.db2.gz XSDLIICZCRORQV-ACJLOTCBSA-N 1 0 356.426 2.907 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1ccc(N2CCNC2=O)cc1 ZINC000786830682 1001628751 /nfs/dbraw/zinc/62/87/51/1001628751.db2.gz GBSVKKWQJSPLDW-CYBMUJFWSA-N 1 0 370.409 2.984 20 5 FFBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000786821102 1001632803 /nfs/dbraw/zinc/63/28/03/1001632803.db2.gz YIIUXHYSDUTOCI-HIFRSBDPSA-N 1 0 354.410 2.742 20 5 FFBDRO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000746635137 1001663670 /nfs/dbraw/zinc/66/36/70/1001663670.db2.gz CRWFVLLZTYVUKU-HNNXBMFYSA-N 1 0 368.437 2.914 20 5 FFBDRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000788476376 1001811777 /nfs/dbraw/zinc/81/17/77/1001811777.db2.gz NHRDMWODPPLPSF-HOTGVXAUSA-N 1 0 364.465 2.724 20 5 FFBDRO CCN(CCC[NH+](CC)CC)C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000788540215 1001817894 /nfs/dbraw/zinc/81/78/94/1001817894.db2.gz WDCDGBBCGMMLSA-UHFFFAOYSA-N 1 0 361.446 2.525 20 5 FFBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000774517591 1001964776 /nfs/dbraw/zinc/96/47/76/1001964776.db2.gz HRLSUBALQLBXDY-DZKIICNBSA-N 1 0 360.458 2.796 20 5 FFBDRO O=[N+]([O-])c1c(NCc2ccccc2-c2cccnc2)ncnc1C1C[NH2+]C1 ZINC001170114342 1002140574 /nfs/dbraw/zinc/14/05/74/1002140574.db2.gz IMEGGXGXOXIBIM-UHFFFAOYSA-N 1 0 362.393 2.746 20 5 FFBDRO COC(=O)c1cnc(NC2CCC([NH+]3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000790775076 1002485665 /nfs/dbraw/zinc/48/56/65/1002485665.db2.gz XEXASDLWEQYMPG-UHFFFAOYSA-N 1 0 362.430 2.985 20 5 FFBDRO CN(C)c1cc(F)c(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000791295986 1002637313 /nfs/dbraw/zinc/63/73/13/1002637313.db2.gz BAOLKMVBIMYERE-GOSISDBHSA-N 1 0 374.416 2.833 20 5 FFBDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000791331931 1002656047 /nfs/dbraw/zinc/65/60/47/1002656047.db2.gz JEECTIBAXMMGDE-TXEJJXNPSA-N 1 0 366.437 2.802 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCOc3ncccc3F)CC2)cc1 ZINC000773084226 1003024833 /nfs/dbraw/zinc/02/48/33/1003024833.db2.gz RFYPEHPAIMTVGW-UHFFFAOYSA-N 1 0 360.389 2.766 20 5 FFBDRO CCOC(=O)C1(C[NH2+][C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CCC1 ZINC001170305499 1003093612 /nfs/dbraw/zinc/09/36/12/1003093612.db2.gz LYVKFNNBMWVPJO-CYBMUJFWSA-N 1 0 350.415 2.857 20 5 FFBDRO COc1ccc(C[C@H](C)[NH2+]CCC(=O)NC2CCCCC2)c([N+](=O)[O-])c1 ZINC001170304910 1003093644 /nfs/dbraw/zinc/09/36/44/1003093644.db2.gz HUJJJSURWTXRDM-AWEZNQCLSA-N 1 0 363.458 2.963 20 5 FFBDRO COc1ccc(C[C@@H](CO)[NH2+][C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC001170313982 1003104537 /nfs/dbraw/zinc/10/45/37/1003104537.db2.gz SKAJVSTWPWTDMV-YOEHRIQHSA-N 1 0 374.437 2.736 20 5 FFBDRO COc1ccc(C[C@@H](C)N2Cc3ccccc3C[C@@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC001170328804 1003115087 /nfs/dbraw/zinc/11/50/87/1003115087.db2.gz VIJZGZJCIFSUPD-RDTXWAMCSA-N 1 0 355.438 2.920 20 5 FFBDRO C[C@@H]1CC[C@@H]([NH2+]CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)[C@@H](C)C1 ZINC000775683860 1003636020 /nfs/dbraw/zinc/63/60/20/1003636020.db2.gz SUEVVDWMTIDCEB-JTDSTZFVSA-N 1 0 374.485 2.658 20 5 FFBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC([N@H+](C)Cc2ccccc2)C1 ZINC000804532730 1003713322 /nfs/dbraw/zinc/71/33/22/1003713322.db2.gz IBYKYIBMDGTTJB-UHFFFAOYSA-N 1 0 368.437 2.617 20 5 FFBDRO CCCNC(=O)OC[C@H]1CCCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000805777056 1004129259 /nfs/dbraw/zinc/12/92/59/1004129259.db2.gz YQGLURAAPUWPQQ-IAGOWNOFSA-N 1 0 365.430 2.619 20 5 FFBDRO CCN(C)C(=O)OC[C@H]1CCCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000805762636 1004137105 /nfs/dbraw/zinc/13/71/05/1004137105.db2.gz LSFOMMDFRVXPJJ-SJORKVTESA-N 1 0 365.430 2.571 20 5 FFBDRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2ccc([N+](=O)[O-])cc2OC)cc1 ZINC001198219464 1004531836 /nfs/dbraw/zinc/53/18/36/1004531836.db2.gz OMBLHXPXWHYHHU-IBGZPJMESA-N 1 0 360.410 2.695 20 5 FFBDRO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000747423196 1004684529 /nfs/dbraw/zinc/68/45/29/1004684529.db2.gz QHEJWFYYTCIDMW-WCGJLGJJSA-N 1 0 373.453 2.708 20 5 FFBDRO COc1cccc([C@@H](C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)N(C)C)c1 ZINC000776270236 1005335353 /nfs/dbraw/zinc/33/53/53/1005335353.db2.gz AZTYDPZLTUPNKA-RTBURBONSA-N 1 0 359.426 2.529 20 5 FFBDRO C[NH+](C)CCOc1ccc(/C=C\C(=O)NCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000776429830 1005670276 /nfs/dbraw/zinc/67/02/76/1005670276.db2.gz HUMAYQASJMSCFZ-GHXNOFRVSA-N 1 0 369.421 2.865 20 5 FFBDRO CCCn1nccc1C(=O)O[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000851035540 1005857876 /nfs/dbraw/zinc/85/78/76/1005857876.db2.gz QEDHCILLVVLQRS-INIZCTEOSA-N 1 0 358.398 2.633 20 5 FFBDRO CC[C@H](C)C[N@H+](CC)CN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000748263748 1017004810 /nfs/dbraw/zinc/00/48/10/1017004810.db2.gz XPSWQEBPCFPYAY-UGSOOPFHSA-N 1 0 362.430 2.687 20 5 FFBDRO CC(C)[C@H](C)NC(=O)C1CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776580945 1005961197 /nfs/dbraw/zinc/96/11/97/1005961197.db2.gz AIIODEDASDBEMY-KBXCAEBGSA-N 1 0 363.458 2.501 20 5 FFBDRO CN(C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCN(c2ccccc2F)C1=O ZINC000776582194 1005962092 /nfs/dbraw/zinc/96/20/92/1005962092.db2.gz LRBNXZHVDJXGOY-ZWKOTPCHSA-N 1 0 373.384 2.505 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH+]2CCC(c3nnc4ccccn43)CC2)cc1 ZINC000776581914 1005963061 /nfs/dbraw/zinc/96/30/61/1005963061.db2.gz IYINWVKVYXPLGH-QGZVFWFLSA-N 1 0 367.409 2.551 20 5 FFBDRO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776591188 1005987767 /nfs/dbraw/zinc/98/77/67/1005987767.db2.gz HLOSTYMWISFEJB-CVEARBPZSA-N 1 0 365.430 2.569 20 5 FFBDRO CN(C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000776592653 1006009663 /nfs/dbraw/zinc/00/96/63/1006009663.db2.gz WWXJIJYCXOXDBF-VQTJNVASSA-N 1 0 355.438 2.835 20 5 FFBDRO CCc1ccc(C(=O)N2CCC[C@@H]([NH2+]C3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000881473296 1006117823 /nfs/dbraw/zinc/11/78/23/1006117823.db2.gz QLSRYLHCDKPQMJ-QGZVFWFLSA-N 1 0 361.442 2.530 20 5 FFBDRO C[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc2c(c1)CCCO2 ZINC000852782042 1006180863 /nfs/dbraw/zinc/18/08/63/1006180863.db2.gz NKIITVXRMORITG-GFCCVEGCSA-N 1 0 355.394 2.870 20 5 FFBDRO O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000882025884 1006284021 /nfs/dbraw/zinc/28/40/21/1006284021.db2.gz SYELEUFKYNQWSJ-HNNXBMFYSA-N 1 0 372.469 2.799 20 5 FFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H](c2ccncc2)C2(CO)CCC2)c1 ZINC000853134836 1006309965 /nfs/dbraw/zinc/30/99/65/1006309965.db2.gz YEINRCXDTBJRON-ZWKOTPCHSA-N 1 0 357.410 2.517 20 5 FFBDRO Cn1cc([N+](=O)[O-])cc1C(=O)O[C@@H](C[NH+](C)C)c1cc(F)c(F)c(F)c1 ZINC000853210574 1006331472 /nfs/dbraw/zinc/33/14/72/1006331472.db2.gz APOHOLXCWGUZBP-AWEZNQCLSA-N 1 0 371.315 2.810 20 5 FFBDRO CC1([NH+]2CCC2)CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000882507360 1006416882 /nfs/dbraw/zinc/41/68/82/1006416882.db2.gz HSPHNJVVDSSXPV-UHFFFAOYSA-N 1 0 354.410 2.843 20 5 FFBDRO C[C@@H](c1ccccc1)[NH+]1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000882810477 1006513803 /nfs/dbraw/zinc/51/38/03/1006513803.db2.gz OIFIHIDAXTUVOX-AWEZNQCLSA-N 1 0 354.410 2.577 20 5 FFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@]2(CCN(c3ccc([N+](=O)[O-])nc3)C2)O1 ZINC000882980384 1006585311 /nfs/dbraw/zinc/58/53/11/1006585311.db2.gz IGULZHSCFKCICZ-OXQOHEQNSA-N 1 0 368.437 2.860 20 5 FFBDRO Cn1ccnc1[C@H]([NH2+]C1CCC2(COC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000883383394 1006771801 /nfs/dbraw/zinc/77/18/01/1006771801.db2.gz XRWOBJISEJLNDY-QGZVFWFLSA-N 1 0 356.426 2.967 20 5 FFBDRO Cn1ccnc1[C@@H]([NH2+]C1CCC2(COC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000883382698 1006771905 /nfs/dbraw/zinc/77/19/05/1006771905.db2.gz LRBBUPIBBXTWNH-KRWDZBQOSA-N 1 0 356.426 2.967 20 5 FFBDRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)c2cc([N+](=O)[O-])ccc2F)cc1 ZINC000854398233 1006814302 /nfs/dbraw/zinc/81/43/02/1006814302.db2.gz VAIDUQGVJWPXLD-QGZVFWFLSA-N 1 0 361.373 2.775 20 5 FFBDRO CC[N@H+](CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[C@@H](C)C(C)C ZINC000112657207 1006989030 /nfs/dbraw/zinc/98/90/30/1006989030.db2.gz IJMGEDSRHZMMBU-INIZCTEOSA-N 1 0 362.474 2.610 20 5 FFBDRO CCOC(=O)c1cc(C(=O)OCCC[NH+]2CCCCC2)cc([N+](=O)[O-])c1 ZINC000800109061 1007171574 /nfs/dbraw/zinc/17/15/74/1007171574.db2.gz OBCUBRRGCHEQKL-UHFFFAOYSA-N 1 0 364.398 2.804 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c1C ZINC000884382478 1007403871 /nfs/dbraw/zinc/40/38/71/1007403871.db2.gz KCFKDWGABQPBFF-ZMSDIMECSA-N 1 0 361.442 2.570 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)OCCCN2CC[NH+](C(C)C)CC2)c1C ZINC000885424393 1007708836 /nfs/dbraw/zinc/70/88/36/1007708836.db2.gz PDRZGULCYSPVJS-UHFFFAOYSA-N 1 0 363.458 2.785 20 5 FFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@H](O)CN(C)C(=O)OC(C)(C)C ZINC000818165188 1007874708 /nfs/dbraw/zinc/87/47/08/1007874708.db2.gz QITKQRYFMXIDFF-CJNGLKHVSA-N 1 0 367.446 2.815 20 5 FFBDRO COc1cc2c(cc1C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)O[C@H](C)C2 ZINC000819183419 1008060320 /nfs/dbraw/zinc/06/03/20/1008060320.db2.gz WPIKAUPHZHLRAE-PXAZEXFGSA-N 1 0 358.394 2.750 20 5 FFBDRO CC(=O)N1CC[C@@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC000819192465 1008063020 /nfs/dbraw/zinc/06/30/20/1008063020.db2.gz YQPKEXMSTYFWBD-MJGOQNOKSA-N 1 0 355.394 2.716 20 5 FFBDRO O=C1[C@@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCCN1C1CCCCC1 ZINC000819254862 1008071664 /nfs/dbraw/zinc/07/16/64/1008071664.db2.gz TZMRERJTJRIEJX-ROUUACIJSA-N 1 0 361.442 2.542 20 5 FFBDRO Cc1ccc(C2=NO[C@H](C[NH2+]C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000819292641 1008084998 /nfs/dbraw/zinc/08/49/98/1008084998.db2.gz VDHZROGBVIKMKA-PKOBYXMFSA-N 1 0 355.394 2.719 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H](O)CNc2cccc(C[NH+]3CCC(O)CC3)c2)c1 ZINC000819445007 1008134845 /nfs/dbraw/zinc/13/48/45/1008134845.db2.gz LZRWJJRSXCHJMS-HXUWFJFHSA-N 1 0 371.437 2.697 20 5 FFBDRO C[N@@H+]1CCCN(c2ccc(NC[C@@H](O)c3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC000819410697 1008140961 /nfs/dbraw/zinc/14/09/61/1008140961.db2.gz KAKUEFVNOGFFGM-HXUWFJFHSA-N 1 0 370.453 2.882 20 5 FFBDRO Cc1cc(NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)ccc1OCC[NH+](C)C ZINC000819491906 1008155060 /nfs/dbraw/zinc/15/50/60/1008155060.db2.gz RUWHWWGIKWLFNW-GOSISDBHSA-N 1 0 359.426 2.989 20 5 FFBDRO C[NH+](C)[C@@H]1CCc2ccccc2N(C(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000857932602 1008250624 /nfs/dbraw/zinc/25/06/24/1008250624.db2.gz UVCOASQEWFTCSP-QGZVFWFLSA-N 1 0 369.421 2.883 20 5 FFBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000820100066 1008285903 /nfs/dbraw/zinc/28/59/03/1008285903.db2.gz JQBBZJNSCVXURO-QWHZDKJVSA-N 1 0 369.396 2.903 20 5 FFBDRO CCN(C)C(=O)OC[C@@H]1CCCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000805763144 1008450904 /nfs/dbraw/zinc/45/09/04/1008450904.db2.gz PUFOHAUYELQHDV-DLBZAZTESA-N 1 0 365.430 2.571 20 5 FFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N(CCC[NH2+]CCC(F)(F)F)CC1CCCC1 ZINC001177313875 1008559506 /nfs/dbraw/zinc/55/95/06/1008559506.db2.gz VABRBUYBQWFXIM-ZIAGYGMSSA-N 1 0 365.396 2.603 20 5 FFBDRO CCOc1cc(N2CC[NH+](C[C@H]3C[C@@]34CCOC4)CC2)ccc1[N+](=O)[O-] ZINC000886181382 1008599519 /nfs/dbraw/zinc/59/95/19/1008599519.db2.gz KNPQAJGWPZSXOH-DNVCBOLYSA-N 1 0 361.442 2.542 20 5 FFBDRO Cc1cc(C(=O)N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c(N)c([N+](=O)[O-])c1 ZINC000137513005 1008616188 /nfs/dbraw/zinc/61/61/88/1008616188.db2.gz LBFADFHJRCWQJZ-ZBFHGGJFSA-N 1 0 368.437 2.878 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000886617310 1008774634 /nfs/dbraw/zinc/77/46/34/1008774634.db2.gz KIWVXEGMVAUAQL-ZENOOKHLSA-N 1 0 374.359 2.999 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1CCc2c1cccc2F ZINC000886926504 1008941340 /nfs/dbraw/zinc/94/13/40/1008941340.db2.gz QKYHPAXJRGGPIP-OAHLLOKOSA-N 1 0 359.357 2.958 20 5 FFBDRO C[C@H]([NH2+][C@H]1CCc2ccccc2OC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000509519025 1009528972 /nfs/dbraw/zinc/52/89/72/1009528972.db2.gz ZIRCGTYNXWGMJW-BBRMVZONSA-N 1 0 355.394 2.905 20 5 FFBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)C1 ZINC000889623033 1010032677 /nfs/dbraw/zinc/03/26/77/1010032677.db2.gz RPFFDCBIXOTFLZ-YOEHRIQHSA-N 1 0 368.437 2.887 20 5 FFBDRO CC[C@H](C)c1nnc([C@@H](C)[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)[nH]1 ZINC001181426808 1010092784 /nfs/dbraw/zinc/09/27/84/1010092784.db2.gz DYTNVFDQRZDULC-QWHCGFSZSA-N 1 0 373.461 2.941 20 5 FFBDRO O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCC([NH2+]C2CCC2)CC1 ZINC000889836476 1010146111 /nfs/dbraw/zinc/14/61/11/1010146111.db2.gz PKGPCSZEBKELGX-UHFFFAOYSA-N 1 0 369.425 2.527 20 5 FFBDRO O=c1oc2cccc([N+](=O)[O-])c2n1CN1CC[NH+](CC2CCCCC2)CC1 ZINC000794622539 1010444937 /nfs/dbraw/zinc/44/49/37/1010444937.db2.gz DBSASBVWRMFQHO-UHFFFAOYSA-N 1 0 374.441 2.658 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]Cc2ccc(-n3ccnc3)nc2)n1 ZINC000774113981 1010478237 /nfs/dbraw/zinc/47/82/37/1010478237.db2.gz FBTQXLPDSQDUTA-JKSUJKDBSA-N 1 0 367.413 2.646 20 5 FFBDRO C[C@H]1CN(c2ccc([N+](=O)[O-])cc2C(F)F)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000865648985 1010835848 /nfs/dbraw/zinc/83/58/48/1010835848.db2.gz LOASHKCXFAHNBL-XJKSGUPXSA-N 1 0 368.428 2.995 20 5 FFBDRO Cn1cc(C[NH2+][C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000865694163 1010843580 /nfs/dbraw/zinc/84/35/80/1010843580.db2.gz SULBQTCKACVCDP-DTIMJLODSA-N 1 0 354.410 2.508 20 5 FFBDRO C[C@@H](C[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)CC1(C)OCCO1 ZINC000866427152 1010991844 /nfs/dbraw/zinc/99/18/44/1010991844.db2.gz IZXNPYYLLVJURJ-PBHICJAKSA-N 1 0 374.441 2.797 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]C[C@H](O)COc1ccccc1)CC2 ZINC001172898060 1012072247 /nfs/dbraw/zinc/07/22/47/1012072247.db2.gz FXYVEKJRJINKMR-MJGOQNOKSA-N 1 0 356.422 2.872 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@@H](CO)Cc1ccc(O)cc1)CC2 ZINC001172901428 1012075354 /nfs/dbraw/zinc/07/53/54/1012075354.db2.gz NCXUSBDZYUUSIH-ZWKOTPCHSA-N 1 0 356.422 2.741 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CCN(c3cnccn3)C1)CC2 ZINC001172904055 1012078484 /nfs/dbraw/zinc/07/84/84/1012078484.db2.gz KDJCNCFNXSDGAK-IAGOWNOFSA-N 1 0 353.426 2.501 20 5 FFBDRO Nc1cccnc1N1CC[NH+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172922464 1012102075 /nfs/dbraw/zinc/10/20/75/1012102075.db2.gz XPMQNTPNHMXECH-KRWDZBQOSA-N 1 0 367.453 2.642 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1ccc2c[nH+]cn2c1 ZINC001275236814 1012123752 /nfs/dbraw/zinc/12/37/52/1012123752.db2.gz HYUPVHSBALDKGC-NSHDSACASA-N 1 0 374.784 2.980 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH2+][C@H]3CCOC[C@@H]3F)CC2)c(F)c1 ZINC001173006880 1012176297 /nfs/dbraw/zinc/17/62/97/1012176297.db2.gz BMNSPQATMDPHHF-GJZGRUSLSA-N 1 0 359.348 2.558 20 5 FFBDRO COC[C@H]([NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1)C1CC1 ZINC001173011754 1012182384 /nfs/dbraw/zinc/18/23/84/1012182384.db2.gz JDFMYYKZDHKJQK-INIZCTEOSA-N 1 0 355.385 2.856 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(N2CCC([N@@H+]3CC[C@H]4COC[C@@H]4C3)CC2)c(F)c1 ZINC001173015096 1012185878 /nfs/dbraw/zinc/18/58/78/1012185878.db2.gz HKJAFMBNYOVVKQ-STQMWFEESA-N 1 0 367.396 2.810 20 5 FFBDRO CC(=O)[C@@H]1CC[N@@H+](C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)C1 ZINC001173018826 1012189557 /nfs/dbraw/zinc/18/95/57/1012189557.db2.gz FVKDKGXHBOEIAH-GFCCVEGCSA-N 1 0 353.369 2.753 20 5 FFBDRO C[NH+]1CCC2(CC1)CN(C(=O)CCC(C)(C)[N+](=O)[O-])Cc1ccccc12 ZINC000870185354 1012246818 /nfs/dbraw/zinc/24/68/18/1012246818.db2.gz CWDQNBMRLQSRCO-UHFFFAOYSA-N 1 0 359.470 2.828 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N(C)c2nc(C[NH3+])ccc2C)c1F ZINC001173174799 1012319237 /nfs/dbraw/zinc/31/92/37/1012319237.db2.gz CEDHMGWEFBFFJO-GFCCVEGCSA-N 1 0 362.405 2.972 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C[C@@H]2C(=O)Nc3ccccc32)c1F ZINC001173178009 1012322085 /nfs/dbraw/zinc/32/20/85/1012322085.db2.gz FOMCXLDREIBUKW-FZMZJTMJSA-N 1 0 373.384 2.999 20 5 FFBDRO CCOC(=O)C1(C[NH2+][C@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])CC1 ZINC001173178817 1012322236 /nfs/dbraw/zinc/32/22/36/1012322236.db2.gz MPLUJUJROCLVKK-LLVKDONJSA-N 1 0 354.378 2.606 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CCC(=O)N2CCCCC2)c1F ZINC001173178813 1012322520 /nfs/dbraw/zinc/32/25/20/1012322520.db2.gz MKOXZNRSXQWBIO-CYBMUJFWSA-N 1 0 367.421 2.666 20 5 FFBDRO COC(=O)[C@H]1CC[C@H]([NH2+][C@@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])CC1 ZINC001173180021 1012323449 /nfs/dbraw/zinc/32/34/49/1012323449.db2.gz SAYNZWXSRDCQQC-AVGNSLFASA-N 1 0 368.405 2.995 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CC[NH+](C3CCC3)CC2)c1F ZINC001173181337 1012323563 /nfs/dbraw/zinc/32/35/63/1012323563.db2.gz OSQVSDFBTKQASM-CYBMUJFWSA-N 1 0 351.422 2.844 20 5 FFBDRO COc1ccc(CC[NH2+][C@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])cn1 ZINC001173187829 1012329100 /nfs/dbraw/zinc/32/91/00/1012329100.db2.gz HHHPBXJBACGVLN-GFCCVEGCSA-N 1 0 363.389 2.909 20 5 FFBDRO COC(=O)[C@@H]1C[C@H]([NH2+][C@@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C1(C)C ZINC001173190402 1012330985 /nfs/dbraw/zinc/33/09/85/1012330985.db2.gz XGIKWPCNWAMTPK-WBIUFABUSA-N 1 0 368.405 2.851 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CC[C@H]([NH+]3CCCC3)C2)c1F ZINC001173189637 1012332132 /nfs/dbraw/zinc/33/21/32/1012332132.db2.gz LLDFNGAHVSUEPY-KBPBESRZSA-N 1 0 351.422 2.844 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]Cc2cccc(C(N)=O)c2)c1F ZINC001173193251 1012335189 /nfs/dbraw/zinc/33/51/89/1012335189.db2.gz UCOIDFLVVCSGLW-NSHDSACASA-N 1 0 361.373 2.562 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CCC([NH+]3CCC3)CC2)c1F ZINC001173194420 1012339149 /nfs/dbraw/zinc/33/91/49/1012339149.db2.gz VJVNZSULFBMWON-CYBMUJFWSA-N 1 0 351.422 2.844 20 5 FFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)n1ccc2c1ncnc2N1CC[NH2+]CC1 ZINC001173231035 1012363926 /nfs/dbraw/zinc/36/39/26/1012363926.db2.gz IZZUFPCTXYKFEM-CQSZACIVSA-N 1 0 366.425 2.553 20 5 FFBDRO O=C(NCc1cccc2c1CC[N@H+](CC1CCCC1)C2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001051291527 1017269969 /nfs/dbraw/zinc/26/99/69/1017269969.db2.gz SEIJIUPOZRIVIV-RTBURBONSA-N 1 0 357.454 2.516 20 5 FFBDRO C[N@H+](CCCON1C(=O)c2ccccc2C1=O)Cc1ccccc1[N+](=O)[O-] ZINC000827322804 1017616100 /nfs/dbraw/zinc/61/61/00/1017616100.db2.gz ACLJMFOCGMMVLB-UHFFFAOYSA-N 1 0 369.377 2.645 20 5 FFBDRO Nc1ccc2c(c1)C[N@H+]([C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)CCO2 ZINC000925755797 1017840129 /nfs/dbraw/zinc/84/01/29/1017840129.db2.gz YMVREPUAXFRCSZ-HOTGVXAUSA-N 1 0 357.414 2.752 20 5 FFBDRO O=[N+]([O-])c1ccccc1C[C@H](N[C@@H]1C[NH2+]CC2(CCOCC2)C1)C1CC1 ZINC000925798142 1017852653 /nfs/dbraw/zinc/85/26/53/1017852653.db2.gz QRILWMIIILJEPR-ROUUACIJSA-N 1 0 359.470 2.664 20 5 FFBDRO C[C@@H]1[C@H](NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)CC[N@@H+]1C ZINC000928440785 1018977923 /nfs/dbraw/zinc/97/79/23/1018977923.db2.gz KXNOHNBDRMBGSA-QLJPJBMISA-N 1 0 371.387 2.782 20 5 FFBDRO Cc1ccccc1CCC[NH+]1CCC(C)(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001045437272 1019964704 /nfs/dbraw/zinc/96/47/04/1019964704.db2.gz KWRZRLZIRJKKCZ-QZTJIDSGSA-N 1 0 359.470 2.564 20 5 FFBDRO CCc1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C3)cc1 ZINC001048525011 1020275990 /nfs/dbraw/zinc/27/59/90/1020275990.db2.gz FXZATBDGOUDTDE-USYVTKNRSA-N 1 0 371.481 2.773 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](OC[C@H]2C[C@@H]3CC[NH2+]C[C@@H]3O2)C(F)(F)F)cc1 ZINC001217916646 1032905686 /nfs/dbraw/zinc/90/56/86/1032905686.db2.gz JSZYJDUHVYINQO-ATGSNQNLSA-N 1 0 360.332 2.982 20 5 FFBDRO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3C[C@@H]4COC[C@]4(c4ccccc4)C3)nc2c1 ZINC000931908570 1020629739 /nfs/dbraw/zinc/62/97/39/1020629739.db2.gz ZFEOTKFARQJJEL-QRWLVFNGSA-N 1 0 364.405 2.871 20 5 FFBDRO COc1cc([C@H](C)[NH2+]C[C@@]2(c3cnn(C)c3)CCCO2)cc([N+](=O)[O-])c1 ZINC000903359892 1020803959 /nfs/dbraw/zinc/80/39/59/1020803959.db2.gz UCJFHJABBLCRJE-SCLBCKFNSA-N 1 0 360.414 2.693 20 5 FFBDRO O=[N+]([O-])c1ccc(I)c(O[C@H]2CCC[NH2+]CC2)c1 ZINC001217997608 1032939441 /nfs/dbraw/zinc/93/94/41/1032939441.db2.gz WAAQWJSYHLMAKH-JTQLQIEISA-N 1 0 362.167 2.720 20 5 FFBDRO C[C@@H]1C[NH2+]CCC[C@H]1Oc1cc(O)cc2oc3c(O)ccc(O)c3c(=O)c12 ZINC001217995926 1032940555 /nfs/dbraw/zinc/94/05/55/1032940555.db2.gz ZPLNITLTBOVDJL-QMTHXVAHSA-N 1 0 371.389 2.830 20 5 FFBDRO C[NH+](C)CCN(Cc1ccco1)C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000934490976 1021258844 /nfs/dbraw/zinc/25/88/44/1021258844.db2.gz BZBYNJCDAGWOJW-QZTJIDSGSA-N 1 0 357.410 2.882 20 5 FFBDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000750095456 1021338323 /nfs/dbraw/zinc/33/83/23/1021338323.db2.gz YUKCXNWHXKVDQT-PMACEKPBSA-N 1 0 355.438 2.835 20 5 FFBDRO C[C@H]1C[C@H](Oc2ccc(I)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC001218060482 1032973375 /nfs/dbraw/zinc/97/33/75/1032973375.db2.gz MSLTUUHFBTYLDB-WCBMZHEXSA-N 1 0 362.167 2.719 20 5 FFBDRO O=C(C[N@@H+]1CCCC[C@H]([C@@H]2CCOC2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000934841626 1021426541 /nfs/dbraw/zinc/42/65/41/1021426541.db2.gz NBCALIFUCPDXJQ-DLBZAZTESA-N 1 0 373.453 2.623 20 5 FFBDRO Cc1nc(O[C@@H]2CCC[C@]23CC[NH2+]C3)c(Br)cc1[N+](=O)[O-] ZINC001218091836 1032991239 /nfs/dbraw/zinc/99/12/39/1032991239.db2.gz GRRUUBKMNLYSKP-TZMCWYRMSA-N 1 0 356.220 2.972 20 5 FFBDRO Cc1ccc(C[N@@H+]2CCCN(c3cc(N)c([N+](=O)[O-])c(CO)c3)CC2)cc1 ZINC001117245269 1021620728 /nfs/dbraw/zinc/62/07/28/1021620728.db2.gz SSHWHDSSVDZSDJ-UHFFFAOYSA-N 1 0 370.453 2.690 20 5 FFBDRO O=[N+]([O-])c1ccc(O[C@H]2CC[C@]23CC[NH2+]C3)c(I)c1 ZINC001218119867 1033005686 /nfs/dbraw/zinc/00/56/86/1033005686.db2.gz ZGVLXHOXUIIUKO-QWHCGFSZSA-N 1 0 374.178 2.720 20 5 FFBDRO C[C@@H](CC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)N(C)C(=O)OC(C)(C)C ZINC001118149623 1022092915 /nfs/dbraw/zinc/09/29/15/1022092915.db2.gz LFBFRYKGGAHUMZ-BBRMVZONSA-N 1 0 367.446 2.863 20 5 FFBDRO O=C(CN1CCCC2(CC[NH2+]CC2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001118198364 1022114372 /nfs/dbraw/zinc/11/43/72/1022114372.db2.gz LVLWMRSBWCOKDD-UHFFFAOYSA-N 1 0 366.849 2.652 20 5 FFBDRO CC[C@H](C(=O)O[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1)[NH+](CC)CC ZINC000778813663 1022400321 /nfs/dbraw/zinc/40/03/21/1022400321.db2.gz JQHGXYKXWHTWEM-GDBMZVCRSA-N 1 0 367.421 2.976 20 5 FFBDRO O=[N+]([O-])c1cc(O[C@@H]2C[C@H]3CC[NH2+][C@@H]3C2)ccc1I ZINC001218253075 1033069999 /nfs/dbraw/zinc/06/99/99/1033069999.db2.gz WMLRZPZVCBKIQQ-HLUHBDAQSA-N 1 0 374.178 2.719 20 5 FFBDRO COc1ccc([C@@H]2C[NH2+]CCN2C(=O)c2cc([N+](=O)[O-])c(C)s2)cc1 ZINC001119368345 1022713188 /nfs/dbraw/zinc/71/31/88/1022713188.db2.gz MAPNWDHBBLWBRN-HNNXBMFYSA-N 1 0 361.423 2.760 20 5 FFBDRO C[C@@H]1CN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC[C@@H]1C[NH3+] ZINC001122211761 1023116913 /nfs/dbraw/zinc/11/69/13/1023116913.db2.gz YNAUQADYCAFACE-GHMZBOCLSA-N 1 0 357.863 2.784 20 5 FFBDRO C/C(=C/C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000752351282 1023125385 /nfs/dbraw/zinc/12/53/85/1023125385.db2.gz QVWGNPBHXSMXEF-ZDRDQBANSA-N 1 0 373.453 2.758 20 5 FFBDRO O=C1N(C[N@@H+]2CCC[C@@H]([C@H]3CCOC3)C2)CCN1c1ccccc1[N+](=O)[O-] ZINC000752796900 1023205470 /nfs/dbraw/zinc/20/54/70/1023205470.db2.gz MSTLHQHSGDQVIK-CVEARBPZSA-N 1 0 374.441 2.543 20 5 FFBDRO C[C@@H]1C[NH2+]CC[C@@H]1Oc1cc(I)ccc1[N+](=O)[O-] ZINC001218417332 1033145736 /nfs/dbraw/zinc/14/57/36/1033145736.db2.gz VPOGPAUKODUNBN-KCJUWKMLSA-N 1 0 362.167 2.576 20 5 FFBDRO CCOc1cc(C[NH2+][C@H](C)[C@@H]2CCCN(C(=O)OC)C2)ccc1[N+](=O)[O-] ZINC000755054979 1023560163 /nfs/dbraw/zinc/56/01/63/1023560163.db2.gz IKVNWOWQYQFSNG-UKRRQHHQSA-N 1 0 365.430 2.950 20 5 FFBDRO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000755316233 1023590166 /nfs/dbraw/zinc/59/01/66/1023590166.db2.gz LVZWWNIUNYILJQ-RXHHAWBHSA-N 1 0 373.453 2.758 20 5 FFBDRO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])O[C@H]1C[C@@H](N2CCOCC2)C1 ZINC001123007410 1023592877 /nfs/dbraw/zinc/59/28/77/1023592877.db2.gz HVWSZKMXSRHAMN-BETUJISGSA-N 1 0 368.817 2.587 20 5 FFBDRO Cn1cc([N+](=O)[O-])c(C(=O)OC[C@@]2(C)CCCC[N@@H+]2Cc2ccccc2)n1 ZINC000755908027 1023649124 /nfs/dbraw/zinc/64/91/24/1023649124.db2.gz FYGISANWOUFCNG-LJQANCHMSA-N 1 0 372.425 2.930 20 5 FFBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NC1CCN(c2cc[nH+]cc2)CC1 ZINC001121301242 1023695924 /nfs/dbraw/zinc/69/59/24/1023695924.db2.gz WMJDQGFPAFOOGF-UTCJRWHESA-N 1 0 352.394 2.788 20 5 FFBDRO O=C(OC[C@H]1CC[N@@H+]1C1CCOCC1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC001123346934 1023755244 /nfs/dbraw/zinc/75/52/44/1023755244.db2.gz PSDFOLMGGXRDTE-CQSZACIVSA-N 1 0 354.790 2.658 20 5 FFBDRO O=[N+]([O-])c1cc(F)cc(Br)c1O[C@H]1C[NH2+]CCC1(F)F ZINC001218452686 1033162487 /nfs/dbraw/zinc/16/24/87/1033162487.db2.gz DGFVUJZTVDITMY-VIFPVBQESA-N 1 0 355.110 2.872 20 5 FFBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000757511888 1023825389 /nfs/dbraw/zinc/82/53/89/1023825389.db2.gz TVQXUWJHGBDUGR-VEGGFIAOSA-N 1 0 351.406 2.999 20 5 FFBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000757790937 1023860163 /nfs/dbraw/zinc/86/01/63/1023860163.db2.gz SVCVSRODCJIYGX-ZANVPECISA-N 1 0 370.356 2.800 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]Cc2cnc3ccccc3c2)cc1 ZINC000757959238 1023891306 /nfs/dbraw/zinc/89/13/06/1023891306.db2.gz YKHLSLOYFWSRAH-UHFFFAOYSA-N 1 0 371.418 2.707 20 5 FFBDRO C[C@@H]1CC[NH2+]C[C@@H]1Oc1cccc(I)c1[N+](=O)[O-] ZINC001218482301 1033174981 /nfs/dbraw/zinc/17/49/81/1033174981.db2.gz GARPZLVHBNDCQE-KCJUWKMLSA-N 1 0 362.167 2.576 20 5 FFBDRO CC[C@@H]1CN(Cn2nc(C)c([N+](=O)[O-])c2C)CC[N@@H+]1Cc1ccccc1 ZINC000758969480 1024401098 /nfs/dbraw/zinc/40/10/98/1024401098.db2.gz BMXDVQVULOKVDP-GOSISDBHSA-N 1 0 357.458 2.962 20 5 FFBDRO CC[NH+](CC)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N)c1ccccc1 ZINC000195131599 1024946309 /nfs/dbraw/zinc/94/63/09/1024946309.db2.gz LCYPRKDHYSLMAV-GOSISDBHSA-N 1 0 356.426 2.990 20 5 FFBDRO CCC(=O)c1ccc(N2CCN(c3cc[nH+]cc3OC)CC2)c([N+](=O)[O-])c1 ZINC000795286549 1025446494 /nfs/dbraw/zinc/44/64/94/1025446494.db2.gz BLVIQEKIOPMXPV-UHFFFAOYSA-N 1 0 370.409 2.918 20 5 FFBDRO CCOC(=O)[C@H](Cc1ccccc1)N(C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000246202656 1025870397 /nfs/dbraw/zinc/87/03/97/1025870397.db2.gz BGRMQBJTJMHZIT-RBUKOAKNSA-N 1 0 372.421 2.734 20 5 FFBDRO O=C1C[C@@]2(CCN(C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)Oc2ccccc21 ZINC000839644078 1026771112 /nfs/dbraw/zinc/77/11/12/1026771112.db2.gz NTSPQZITMYPWFF-AZUAARDMSA-N 1 0 368.389 2.738 20 5 FFBDRO C[N@@H+]1CCCC[C@H]1CCOC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000840224247 1027011241 /nfs/dbraw/zinc/01/12/41/1027011241.db2.gz DFQURLBPYWNJMG-AWEZNQCLSA-N 1 0 358.398 2.812 20 5 FFBDRO O=C(NCCC1=CC[N@H+](CC/C=C/c2ccccc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001160107656 1027595142 /nfs/dbraw/zinc/59/51/42/1027595142.db2.gz QRNKEZXZFMOKMM-HNJWQCIISA-N 1 0 369.465 2.894 20 5 FFBDRO [NH3+]C[C@@]1(Nc2cc3ccc(Cl)nc3cc2[N+](=O)[O-])CN2CCC1CC2 ZINC001160521278 1027740238 /nfs/dbraw/zinc/74/02/38/1027740238.db2.gz XSGCUTAXRHUTAD-QGZVFWFLSA-N 1 0 361.833 2.631 20 5 FFBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N(Cc1ccccc1)C[C@@H](C)C[NH3+] ZINC001160666474 1027793335 /nfs/dbraw/zinc/79/33/35/1027793335.db2.gz YHOFMGUFUVYLDK-AWEZNQCLSA-N 1 0 372.425 2.768 20 5 FFBDRO COc1cc2ncnc(NCC[NH+]3CCC(F)(F)CC3)c2cc1[N+](=O)[O-] ZINC001160748896 1027857075 /nfs/dbraw/zinc/85/70/75/1027857075.db2.gz DZIOCAPFSXKLTG-UHFFFAOYSA-N 1 0 367.356 2.690 20 5 FFBDRO Nc1nc(-n2cc(C[NH3+])c3ccc(Br)cc32)ccc1[N+](=O)[O-] ZINC001160757623 1027864791 /nfs/dbraw/zinc/86/47/91/1027864791.db2.gz UVYOYSLBXAMWHL-UHFFFAOYSA-N 1 0 362.187 2.737 20 5 FFBDRO COc1cc(C)nc(NC2CC[NH+](Cc3ccncc3)CC2)c1[N+](=O)[O-] ZINC001161104396 1028013461 /nfs/dbraw/zinc/01/34/61/1028013461.db2.gz QTLNQCGYAKERAN-UHFFFAOYSA-N 1 0 357.414 2.778 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)cc(NC2CC[NH+](CC3CCOCC3)CC2)n1 ZINC001161212324 1028070358 /nfs/dbraw/zinc/07/03/58/1028070358.db2.gz KJRKQNBNOWJCNX-UHFFFAOYSA-N 1 0 354.838 2.946 20 5 FFBDRO Cc1nc(Cl)nc(NCC2CC[NH+](C3CCOCC3)CC2)c1[N+](=O)[O-] ZINC001161234444 1028084139 /nfs/dbraw/zinc/08/41/39/1028084139.db2.gz RQRKWSQYTRFRTC-UHFFFAOYSA-N 1 0 369.853 2.650 20 5 FFBDRO C[NH+](C)[C@@H]1C[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2Br)C1(C)C ZINC001161498238 1028202676 /nfs/dbraw/zinc/20/26/76/1028202676.db2.gz ININSBKVEBBONQ-VXGBXAGGSA-N 1 0 370.247 2.816 20 5 FFBDRO CC1(C)C[NH2+]C[C@H](CNc2cc(Cl)nc3ccc([N+](=O)[O-])cc32)O1 ZINC001161955698 1028375867 /nfs/dbraw/zinc/37/58/67/1028375867.db2.gz HIXCRYWDMLTXAJ-LLVKDONJSA-N 1 0 350.806 2.975 20 5 FFBDRO Cc1c([N+](=O)[O-])cc(C(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000249943417 1028406340 /nfs/dbraw/zinc/40/63/40/1028406340.db2.gz XHWFCKSHZXPAKH-NEPJUHHUSA-N 1 0 364.402 2.662 20 5 FFBDRO CCOC1(OCC)CC[NH2+]C[C@@H]1Nc1ccc2ccc([N+](=O)[O-])cc2n1 ZINC001155227530 1028635185 /nfs/dbraw/zinc/63/51/85/1028635185.db2.gz OUSLUSTYGJVVLI-INIZCTEOSA-N 1 0 360.414 2.686 20 5 FFBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N2Cc3ccccc3C[C@H]2C[NH3+])n1 ZINC001162740494 1028640510 /nfs/dbraw/zinc/64/05/10/1028640510.db2.gz CCKDUURBWUAKFA-NSHDSACASA-N 1 0 365.846 2.650 20 5 FFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N(CC[NH2+]CC1=CCCCC1)CCc1ccccc1 ZINC001162810145 1028664068 /nfs/dbraw/zinc/66/40/68/1028664068.db2.gz FVBRPUGMSYLKIE-WOJBJXKFSA-N 1 0 371.481 2.813 20 5 FFBDRO O=[N+]([O-])c1ccc2ncnc(NCC[C@H]3C[NH2+]Cc4cccn4C3)c2c1 ZINC001155453123 1028741529 /nfs/dbraw/zinc/74/15/29/1028741529.db2.gz LNQPYHCXPIEGKZ-ZDUSSCGKSA-N 1 0 352.398 2.561 20 5 FFBDRO COc1ncc([N+](=O)[O-])c(N[C@H]2CC3(CC[NH2+]CC3)c3ccc(C)cc32)n1 ZINC001163023488 1028763843 /nfs/dbraw/zinc/76/38/43/1028763843.db2.gz HNMGPFVKDWAMHV-HNNXBMFYSA-N 1 0 369.425 2.880 20 5 FFBDRO O=[N+]([O-])c1c(Cl)c2ccccc2nc1NC[C@@H]1OC[C@H]2C[NH2+]CC[C@H]21 ZINC001155524018 1028776269 /nfs/dbraw/zinc/77/62/69/1028776269.db2.gz XYOZKBKWLUDQHH-GYSYKLTISA-N 1 0 362.817 2.833 20 5 FFBDRO O=[N+]([O-])c1cc2c(ncnc2NCC[C@H]2C[NH2+]Cc3cccn3C2)s1 ZINC001163056096 1028777461 /nfs/dbraw/zinc/77/74/61/1028777461.db2.gz AONVSVAZADSQIT-NSHDSACASA-N 1 0 358.427 2.623 20 5 FFBDRO O=C1C[C@H]2[NH2+]CC[C@@]2(Nc2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)N1 ZINC001163250301 1028855148 /nfs/dbraw/zinc/85/51/48/1028855148.db2.gz NCSSGQPKIONSRV-SJLPKXTDSA-N 1 0 370.434 2.736 20 5 FFBDRO CCCSc1nc(Cl)c([N+](=O)[O-])c(N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)n1 ZINC001163261179 1028858019 /nfs/dbraw/zinc/85/80/19/1028858019.db2.gz INNFASXUWUDWAQ-UTLUCORTSA-N 1 0 357.867 2.950 20 5 FFBDRO O=[N+]([O-])c1cc(N[C@H]2CCO[C@@]3(CC[NH2+]C3)C2)ccc1OC(F)(F)F ZINC001163322036 1028892230 /nfs/dbraw/zinc/89/22/30/1028892230.db2.gz GAAIGSYKJGBYAQ-FZMZJTMJSA-N 1 0 361.320 2.816 20 5 FFBDRO COC(=O)c1ccc([C@H]([NH3+])CNc2cc(Cl)ncc2[N+](=O)[O-])cc1 ZINC001163463141 1028935800 /nfs/dbraw/zinc/93/58/00/1028935800.db2.gz ZAJZQMQVYWQOLO-LLVKDONJSA-N 1 0 350.762 2.542 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCc2cccnc2C2CC[NH2+]CC2)c1 ZINC001163914924 1029115132 /nfs/dbraw/zinc/11/51/32/1029115132.db2.gz LHNURXMCPQTPOB-UHFFFAOYSA-N 1 0 370.409 2.856 20 5 FFBDRO COC(=O)Cc1ccc(NCc2cccc(C[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC001163998600 1029139808 /nfs/dbraw/zinc/13/98/08/1029139808.db2.gz GQRVURSRSUHNFA-UHFFFAOYSA-N 1 0 357.410 2.984 20 5 FFBDRO Cc1ccc2c(ccnc2NCC2([NH+](C)C)CCN(C)CC2)c1[N+](=O)[O-] ZINC001164207020 1029200581 /nfs/dbraw/zinc/20/05/81/1029200581.db2.gz PYVGIHXAWUVNFI-UHFFFAOYSA-N 1 0 357.458 2.889 20 5 FFBDRO Cc1nc(Cl)nc(N2CCC(C3CC[NH+](C)CC3)CC2)c1[N+](=O)[O-] ZINC001165065145 1029357826 /nfs/dbraw/zinc/35/78/26/1029357826.db2.gz FSFZNWHKWJMBBG-UHFFFAOYSA-N 1 0 353.854 2.905 20 5 FFBDRO O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1N(Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC001157436568 1029585757 /nfs/dbraw/zinc/58/57/57/1029585757.db2.gz YTLNFTDTSWCGAB-AWEZNQCLSA-N 1 0 362.817 2.640 20 5 FFBDRO O=[N+]([O-])c1cc(-c2ccc(N[C@H]3C[NH2+]CC[C@H]3F)nn2)ccc1Cl ZINC001157451853 1029588369 /nfs/dbraw/zinc/58/83/69/1029588369.db2.gz QMTKQRIJLSOFDQ-YPMHNXCESA-N 1 0 351.769 2.817 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ncn(C[N@@H+]3CC[C@H](Cc4ccncc4)C3)n2)cc1 ZINC000782293100 1029645621 /nfs/dbraw/zinc/64/56/21/1029645621.db2.gz XEUHRJVIVZVRNJ-MRXNPFEDSA-N 1 0 364.409 2.770 20 5 FFBDRO CCC[NH+]1C[C@H]2CN(c3nc(SC)nc(Cl)c3[N+](=O)[O-])C[C@@H]2C1 ZINC001157688110 1029645675 /nfs/dbraw/zinc/64/56/75/1029645675.db2.gz BPFNNRXHCJYETO-UWVGGRQHSA-N 1 0 357.867 2.538 20 5 FFBDRO CC(C)Oc1nc(-n2nc(-c3ccccc3)nc2CC[NH3+])ccc1[N+](=O)[O-] ZINC001157904006 1029682996 /nfs/dbraw/zinc/68/29/96/1029682996.db2.gz GYKWFUHKDMJBBG-UHFFFAOYSA-N 1 0 368.397 2.526 20 5 FFBDRO O=[N+]([O-])c1cnc(NCCOc2cccc3ccccc32)nc1C1C[NH2+]C1 ZINC001158151862 1029745861 /nfs/dbraw/zinc/74/58/61/1029745861.db2.gz HSRUORUALIJQFQ-UHFFFAOYSA-N 1 0 365.393 2.716 20 5 FFBDRO O=[N+]([O-])c1c(Cl)cc(Cl)nc1N1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001158309053 1029794036 /nfs/dbraw/zinc/79/40/36/1029794036.db2.gz AGGIOEXTIZWLSW-SNVBAGLBSA-N 1 0 361.229 2.598 20 5 FFBDRO Cc1cc(N(c2cc([N+](=O)[O-])cc(Cl)n2)C2CC[NH2+]CC2)nc(C)n1 ZINC001158387352 1029816920 /nfs/dbraw/zinc/81/69/20/1029816920.db2.gz DKTZCIYQIOJJIZ-UHFFFAOYSA-N 1 0 362.821 2.940 20 5 FFBDRO [NH3+]C1([C@H]2CN(c3ccc(-c4ccc([N+](=O)[O-])cc4)nn3)C[C@H]2CF)CC1 ZINC001165434285 1029982129 /nfs/dbraw/zinc/98/21/29/1029982129.db2.gz RBXKJYUTAIRRMW-HIFRSBDPSA-N 1 0 357.389 2.565 20 5 FFBDRO CN1Cc2cc(NCC3C[NH+](Cc4ccccc4)C3)cc([N+](=O)[O-])c2N1 ZINC001165486744 1029999478 /nfs/dbraw/zinc/99/94/78/1029999478.db2.gz SZJBFEHZJPWCLN-UHFFFAOYSA-N 1 0 353.426 2.911 20 5 FFBDRO Cc1cccc(N(c2cccc([N+](=O)[O-])n2)[C@@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC001165771158 1030116975 /nfs/dbraw/zinc/11/69/75/1030116975.db2.gz JNNPLKHETUJRNK-QFBILLFUSA-N 1 0 354.410 2.957 20 5 FFBDRO Cc1cccc(N(c2ccc([N+](=O)[O-])c(N)n2)[C@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC001165771792 1030119242 /nfs/dbraw/zinc/11/92/42/1030119242.db2.gz FJGKFCXCQQKZQG-DNVCBOLYSA-N 1 0 369.425 2.540 20 5 FFBDRO Cc1cccc(N(c2nc(C)ncc2[N+](=O)[O-])[C@@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC001165773515 1030119966 /nfs/dbraw/zinc/11/99/66/1030119966.db2.gz LBORLACIKKAPGZ-QFBILLFUSA-N 1 0 369.425 2.661 20 5 FFBDRO O=[N+]([O-])c1ccnc(-n2nc(-c3ccc(F)cc3)c3c2CC[NH2+]CC3)c1 ZINC001165823453 1030138591 /nfs/dbraw/zinc/13/85/91/1030138591.db2.gz UYORAVALMXBOFB-UHFFFAOYSA-N 1 0 353.357 2.670 20 5 FFBDRO CS(=O)(=O)N(c1cccc(C[NH3+])c1)c1ccnc2c1cccc2[N+](=O)[O-] ZINC001166484966 1030419315 /nfs/dbraw/zinc/41/93/15/1030419315.db2.gz HEPLDKCHQDHVIO-UHFFFAOYSA-N 1 0 372.406 2.699 20 5 FFBDRO O=C(CCN1CCCC[C@H]1[C@@H]1CCC[NH2+]1)Nc1cc([N+](=O)[O-])ccc1F ZINC000842473111 1030748290 /nfs/dbraw/zinc/74/82/90/1030748290.db2.gz PSORPNPXYLGNQQ-RDJZCZTQSA-N 1 0 364.421 2.669 20 5 FFBDRO Cc1c(Cl)cccc1C[NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001203582977 1030771750 /nfs/dbraw/zinc/77/17/50/1030771750.db2.gz MTMOYJAPJGXCBG-IAGOWNOFSA-N 1 0 350.802 2.741 20 5 FFBDRO C[N@H+](Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1)C[C@](C)(O)c1ccccc1 ZINC000842626297 1030846139 /nfs/dbraw/zinc/84/61/39/1030846139.db2.gz OCSJZNHNBKPKBC-IBGZPJMESA-N 1 0 367.409 2.650 20 5 FFBDRO CC(C)c1ccc(C[NH2+][C@@H]2CCN(c3cc(=O)[nH]cn3)C2)cc1[N+](=O)[O-] ZINC001203952915 1031007669 /nfs/dbraw/zinc/00/76/69/1031007669.db2.gz CLUBMCBAJCVZIQ-CQSZACIVSA-N 1 0 357.414 2.582 20 5 FFBDRO C[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H](O)c1ccc(F)cc1 ZINC000843073440 1031171586 /nfs/dbraw/zinc/17/15/86/1031171586.db2.gz IDYPHUINLQAXOK-KPZWWZAWSA-N 1 0 361.373 2.774 20 5 FFBDRO [NH3+]CCN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)CCc1ccccc1 ZINC000843379949 1031366453 /nfs/dbraw/zinc/36/64/53/1031366453.db2.gz JVRHCEBJJZNGNE-UHFFFAOYSA-N 1 0 374.416 2.566 20 5 FFBDRO Nc1c(Cl)cc(C(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)cc1[N+](=O)[O-] ZINC001150780201 1031783013 /nfs/dbraw/zinc/78/30/13/1031783013.db2.gz BIELIBQOGYBYJP-GFCCVEGCSA-N 1 0 352.822 2.577 20 5 FFBDRO O=C(NCC1([NH2+]C/C=C\c2ccccc2)CCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001115529415 1031787735 /nfs/dbraw/zinc/78/77/35/1031787735.db2.gz RAXUOBLKIGOENF-HJPCAMOWSA-N 1 0 357.454 2.774 20 5 FFBDRO Cc1ccc(CC[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCCCC2)cc1 ZINC001115530834 1031789181 /nfs/dbraw/zinc/78/91/81/1031789181.db2.gz UJSPBCVZOFEPTD-QZTJIDSGSA-N 1 0 359.470 2.611 20 5 FFBDRO CN(C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)C(C)(C)C[NH+]1CCCCCC1 ZINC000829952726 1033408050 /nfs/dbraw/zinc/40/80/50/1033408050.db2.gz PFLYQKHOTSWIOG-QGZVFWFLSA-N 1 0 363.458 2.741 20 5 FFBDRO C[C@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000830166974 1033490182 /nfs/dbraw/zinc/49/01/82/1033490182.db2.gz CSASXVVYFNEZGZ-YVEFUNNKSA-N 1 0 370.365 2.959 20 5 FFBDRO COc1ncnc(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1[N+](=O)[O-] ZINC000312976079 1033704825 /nfs/dbraw/zinc/70/48/25/1033704825.db2.gz KWCKSZVYKIQZBA-HRCADAONSA-N 1 0 369.425 2.716 20 5 FFBDRO CC(C)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)CC[NH2+]1 ZINC000831598606 1034147875 /nfs/dbraw/zinc/14/78/75/1034147875.db2.gz AJZUMRILGLIUKH-GOSISDBHSA-N 1 0 374.485 2.901 20 5 FFBDRO C[C@H](c1ccccn1)[N@@H+]1CCC[C@@H](Oc2ccc([N+](=O)[O-])cc2C(N)=O)C1 ZINC001226171623 1034558824 /nfs/dbraw/zinc/55/88/24/1034558824.db2.gz DPLJFUHAKADGJU-UKRRQHHQSA-N 1 0 370.409 2.693 20 5 FFBDRO COC(=O)c1cc(OC)c(O[C@H]2CCC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC001226433744 1034683166 /nfs/dbraw/zinc/68/31/66/1034683166.db2.gz JSIOHQNDNAVJGA-LBPRGKRZSA-N 1 0 352.387 2.642 20 5 FFBDRO O=[N+]([O-])c1ccc2ncnc(O[C@H]3CC[C@H]([NH+]4CCOCC4)CC3)c2c1 ZINC001226436730 1034684541 /nfs/dbraw/zinc/68/45/41/1034684541.db2.gz NRGLDPULOCBOGM-CTYIDZIISA-N 1 0 358.398 2.560 20 5 FFBDRO CC(C)(C[NH2+]Cc1c(Br)cccc1[N+](=O)[O-])[C@]1(O)CCOC1 ZINC001202929606 1035087515 /nfs/dbraw/zinc/08/75/15/1035087515.db2.gz LCLCACFTZROXSB-HNNXBMFYSA-N 1 0 373.247 2.625 20 5 FFBDRO O=C(Nc1ncc([N+](=O)[O-])s1)c1ccccc1O[C@@H]1C[NH+]2CCC1CC2 ZINC001227515813 1035593334 /nfs/dbraw/zinc/59/33/34/1035593334.db2.gz OKTJIYDPCQLTLW-CQSZACIVSA-N 1 0 374.422 2.777 20 5 FFBDRO C[C@H](C[N+](C)(C)C)Oc1c(I)nnc2ccccc21 ZINC001228769471 1036314547 /nfs/dbraw/zinc/31/45/47/1036314547.db2.gz SGYXAAROFKORCP-SNVBAGLBSA-N 1 0 372.230 2.708 20 5 FFBDRO COC(=O)c1cc(O[C@@H]2CC[N@@H+]([C@H](C)c3ccccn3)C2)cc([N+](=O)[O-])c1 ZINC001228772456 1036315696 /nfs/dbraw/zinc/31/56/96/1036315696.db2.gz WXKKDVXBHQWISL-CZUORRHYSA-N 1 0 371.393 2.991 20 5 FFBDRO COC(=O)c1ccc(OC2CCN(c3cc[nH+]cc3)CC2)cc1[N+](=O)[O-] ZINC001234052949 1036895307 /nfs/dbraw/zinc/89/53/07/1036895307.db2.gz VGRFFHLVKVZPJY-UHFFFAOYSA-N 1 0 357.366 2.824 20 5 FFBDRO O=c1oc2cc(O)ccc2c2cc(O[C@@H]3C[NH+]4CCC3CC4)c(O)cc12 ZINC001229802197 1036908787 /nfs/dbraw/zinc/90/87/87/1036908787.db2.gz IIEYATFABKDJDI-LJQANCHMSA-N 1 0 353.374 2.830 20 5 FFBDRO COc1c(C)cc([N+](=O)[O-])c(O[C@H]2[C@@H]3CCC[C@H]2C[N@@H+](C)C3)c1[N+](=O)[O-] ZINC001229876333 1036953988 /nfs/dbraw/zinc/95/39/88/1036953988.db2.gz UTODGLDKSWGTOS-ATCWAGBWSA-N 1 0 365.386 2.929 20 5 FFBDRO C[NH+]1CCC(Oc2ccc(I)cc2[N+](=O)[O-])CC1 ZINC001229941224 1036991609 /nfs/dbraw/zinc/99/16/09/1036991609.db2.gz PKRKWJFCQAUNBQ-UHFFFAOYSA-N 1 0 362.167 2.672 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(OC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)n1 ZINC001234881088 1037221645 /nfs/dbraw/zinc/22/16/45/1037221645.db2.gz LWWJWORCRLFULJ-INIZCTEOSA-N 1 0 373.409 2.668 20 5 FFBDRO COC(=O)c1c(O[C@H](C)C[N+](C)(C)C)c2ccsc2n(C(C)C)c1=O ZINC001234889000 1037225586 /nfs/dbraw/zinc/22/55/86/1037225586.db2.gz FHBRWRAFTZFIFR-GFCCVEGCSA-N 1 0 367.491 2.904 20 5 FFBDRO CCCC(=O)Nc1c(O[C@@H]2C[C@@H]3CC(=O)C[C@H]2N3C)cccc1[N+](=O)[O-] ZINC001231360202 1037547504 /nfs/dbraw/zinc/54/75/04/1037547504.db2.gz YKKZREYZJKWUAA-SGIREYDYSA-N 1 0 361.398 2.516 20 5 FFBDRO COc1cc(N2CCC([NH2+]CCc3ncc(C)cn3)CC2)ccc1[N+](=O)[O-] ZINC001256084281 1038368206 /nfs/dbraw/zinc/36/82/06/1038368206.db2.gz YCRXVJHAHMKBLM-UHFFFAOYSA-N 1 0 371.441 2.503 20 5 FFBDRO CCCC[C@H](CO)[NH2+]C1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC001256087337 1038373125 /nfs/dbraw/zinc/37/31/25/1038373125.db2.gz XEXNDICGYRXFCK-OAHLLOKOSA-N 1 0 351.447 2.713 20 5 FFBDRO COc1cc(N2CCC([N@@H+]3CCC[C@@H](O)[C@H](C)C3)CC2)ccc1[N+](=O)[O-] ZINC001256093265 1038380606 /nfs/dbraw/zinc/38/06/06/1038380606.db2.gz JAFGXVLEWZGMHG-RDTXWAMCSA-N 1 0 363.458 2.665 20 5 FFBDRO COc1cc(N2CCC([N@@H+]3CCC[C@]34CCOC4)CC2)ccc1[N+](=O)[O-] ZINC001256100974 1038383498 /nfs/dbraw/zinc/38/34/98/1038383498.db2.gz WTVPKZSOJVMRQI-LJQANCHMSA-N 1 0 361.442 2.827 20 5 FFBDRO C[C@H]1C[NH+](CCc2nnc(-c3c[nH]c4cc([N+](=O)[O-])ccc43)o2)C[C@H](C)O1 ZINC001258037719 1039138342 /nfs/dbraw/zinc/13/83/42/1039138342.db2.gz ZXAPKYYQQMYGGK-RYUDHWBXSA-N 1 0 371.397 2.778 20 5 FFBDRO Cc1cc(-c2nnc(CC[NH+]3C[C@@H](C)O[C@H](C)C3)o2)c([N+](=O)[O-])cc1C ZINC001258153902 1039235494 /nfs/dbraw/zinc/23/54/94/1039235494.db2.gz RTLUZOBVDLIWLM-ZIAGYGMSSA-N 1 0 360.414 2.913 20 5 FFBDRO CCOc1cc(C(=O)N[C@H]2CCCC[C@@H]2[NH+](C)C)c([N+](=O)[O-])cc1OC ZINC001251761598 1039292819 /nfs/dbraw/zinc/29/28/19/1039292819.db2.gz JFJRUBUQKNQPAJ-KBPBESRZSA-N 1 0 365.430 2.605 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CCC(F)(F)[C@H](C[NH3+])C2)c1F ZINC001246561050 1039394698 /nfs/dbraw/zinc/39/46/98/1039394698.db2.gz VQQBHXBUPAKVSC-WDEREUQCSA-N 1 0 361.364 2.589 20 5 FFBDRO COCCCN([C@H]1CCC[NH2+]C1)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001246807341 1039486804 /nfs/dbraw/zinc/48/68/04/1039486804.db2.gz JISSIVKFZKXFHD-QUCCMNQESA-N 1 0 361.486 2.933 20 5 FFBDRO COCCCN([C@H]1CCC[NH2+]C1)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001246807339 1039486866 /nfs/dbraw/zinc/48/68/66/1039486866.db2.gz JISSIVKFZKXFHD-ICSRJNTNSA-N 1 0 361.486 2.933 20 5 FFBDRO CN(C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1)[C@]1(C)CCC[NH2+]C1 ZINC001246917006 1039532455 /nfs/dbraw/zinc/53/24/55/1039532455.db2.gz YLCKEPKDLLJLLA-GOSISDBHSA-N 1 0 368.428 2.916 20 5 FFBDRO CCC[C@@H]1CNCC[N@@H+]1C1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC001246926984 1039537298 /nfs/dbraw/zinc/53/72/98/1039537298.db2.gz MTQUMBYDVZKRKB-QGZVFWFLSA-N 1 0 362.474 2.646 20 5 FFBDRO C[NH+]1CCN(c2ccc(Nc3ccc(F)c([N+](=O)[O-])c3)cc2CO)CC1 ZINC001211192976 1039987787 /nfs/dbraw/zinc/98/77/87/1039987787.db2.gz CXDJKEQTKWHWOS-UHFFFAOYSA-N 1 0 360.389 2.722 20 5 FFBDRO c1cnc2c(c1)ccc1ccc(-c3noc([C@@H]4CO[C@@H]5C[NH2+]C[C@@H]54)n3)nc12 ZINC001247936127 1040062073 /nfs/dbraw/zinc/06/20/73/1040062073.db2.gz PIPULGGUFYMFMA-IIAWOOMASA-N 1 0 359.389 2.535 20 5 FFBDRO COc1ccc(OC)c(-c2noc(C[C@@H]([NH3+])c3cccc([N+](=O)[O-])c3)n2)c1 ZINC001249278286 1040664874 /nfs/dbraw/zinc/66/48/74/1040664874.db2.gz YUDKGOKQNUVGDR-OAHLLOKOSA-N 1 0 370.365 2.905 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCN3CCC[C@@H](F)C3)CC2)cc1 ZINC001254470035 1040737132 /nfs/dbraw/zinc/73/71/32/1040737132.db2.gz LXIMVTXWNILKFW-OAHLLOKOSA-N 1 0 350.438 2.587 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3CCCC4(C3)OCCO4)CC2)cc1 ZINC001254469973 1040737242 /nfs/dbraw/zinc/73/72/42/1040737242.db2.gz KTHUBOKITDZVQL-INIZCTEOSA-N 1 0 361.442 2.839 20 5 FFBDRO CCOc1cc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)ncn1 ZINC001254470021 1040737484 /nfs/dbraw/zinc/73/74/84/1040737484.db2.gz FSOOVCDNNUKTSG-UHFFFAOYSA-N 1 0 357.414 2.542 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH+]3CCC(O)(C(F)(F)F)CC3)CC2)cc1 ZINC001254473967 1040739052 /nfs/dbraw/zinc/73/90/52/1040739052.db2.gz KDVBPKKRJXEOLV-UHFFFAOYSA-N 1 0 373.375 2.953 20 5 FFBDRO CN1C(=O)CC[C@H]2C[N@H+](C3CCN(c4ccc([N+](=O)[O-])cc4)CC3)CC[C@@H]21 ZINC001254481310 1040747996 /nfs/dbraw/zinc/74/79/96/1040747996.db2.gz AQQZMDUUFJKLLF-KXBFYZLASA-N 1 0 372.469 2.506 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001254532056 1040783398 /nfs/dbraw/zinc/78/33/98/1040783398.db2.gz JIUIZPMVSKDSGE-FAYQHZLMSA-N 1 0 361.442 2.981 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC001254536510 1040787668 /nfs/dbraw/zinc/78/76/68/1040787668.db2.gz PMNADMULKIRRIG-YJBOKZPZSA-N 1 0 353.422 2.917 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CN(c2ncnc3ccccc32)C1 ZINC001254548065 1040790651 /nfs/dbraw/zinc/79/06/51/1040790651.db2.gz YSIVOSKYTRGKCJ-AWEZNQCLSA-N 1 0 363.421 2.947 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCOCCNC(=O)OC(C)(C)C ZINC001254548478 1040792995 /nfs/dbraw/zinc/79/29/95/1040792995.db2.gz MOHPZKMESDBCMC-AWEZNQCLSA-N 1 0 367.446 2.657 20 5 FFBDRO CCOC(=O)c1cc2n(n1)CCC[N@@H+]([C@@H](C)Cc1ccccc1[N+](=O)[O-])C2 ZINC001254553058 1040794949 /nfs/dbraw/zinc/79/49/49/1040794949.db2.gz RFYUSGXPLYRJEV-AWEZNQCLSA-N 1 0 372.425 2.805 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@]2(CCN2c2ncccn2)C1 ZINC001254562716 1040800159 /nfs/dbraw/zinc/80/01/59/1040800159.db2.gz SYPSZJTYARKWOI-BEFAXECRSA-N 1 0 353.426 2.671 20 5 FFBDRO CC(C)(C)OC(=O)N1CC(F)(C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254566299 1040803667 /nfs/dbraw/zinc/80/36/67/1040803667.db2.gz JICFXHDACATYRT-CQSZACIVSA-N 1 0 365.405 2.611 20 5 FFBDRO C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254567851 1040804966 /nfs/dbraw/zinc/80/49/66/1040804966.db2.gz PQTSLYCICSMCSB-NUTKFTJISA-N 1 0 361.442 2.907 20 5 FFBDRO O=C(c1ccccc1)N1CC[C@@H]([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254584354 1040816113 /nfs/dbraw/zinc/81/61/13/1040816113.db2.gz HIZMUGVRRFFHDO-MSOLQXFVSA-N 1 0 351.406 2.566 20 5 FFBDRO COCCOc1ccc(C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)cc1OC ZINC001254587985 1040818602 /nfs/dbraw/zinc/81/86/02/1040818602.db2.gz UETJORUWTOBYKD-QGZVFWFLSA-N 1 0 372.421 2.886 20 5 FFBDRO Cc1noc([C@H]2C[C@@H]3CC[N@@H+]([C@H]4Cc5ccc([N+](=O)[O-])cc5C4)C[C@H]3O2)n1 ZINC001254595961 1040824579 /nfs/dbraw/zinc/82/45/79/1040824579.db2.gz LFLMSARBWCJEAI-VIBAHUMZSA-N 1 0 370.409 2.606 20 5 FFBDRO COCC[C@@H]1CO[C@@]2(C1)CCC[N@@H+]([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254595265 1040824621 /nfs/dbraw/zinc/82/46/21/1040824621.db2.gz HZNKYTAZIFEJHK-CWFSZBLJSA-N 1 0 360.454 2.970 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H](n1cc3c(cccc3N3CC[NH2+]CC3)n1)C2 ZINC001254603478 1040833277 /nfs/dbraw/zinc/83/32/77/1040833277.db2.gz NNWJIDUFHGYPCK-QGZVFWFLSA-N 1 0 363.421 2.694 20 5 FFBDRO Cc1ccccc1C(=O)N1CCN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254609346 1040836429 /nfs/dbraw/zinc/83/64/29/1040836429.db2.gz VRHZWWXHCAGJGA-LJQANCHMSA-N 1 0 365.433 2.828 20 5 FFBDRO COc1ccnc(O[C@H]2CC[N@@H+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)c1 ZINC001254610263 1040838700 /nfs/dbraw/zinc/83/87/00/1040838700.db2.gz ISFVKYTZZQJOTJ-WMZOPIPTSA-N 1 0 355.394 2.619 20 5 FFBDRO Cc1ccnc(O[C@H]2CCC[N@@H+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)n1 ZINC001254610861 1040838874 /nfs/dbraw/zinc/83/88/74/1040838874.db2.gz MMJYSWPXUFCDSQ-MSOLQXFVSA-N 1 0 354.410 2.704 20 5 FFBDRO Cc1ccnc(O[C@@H]2CCC[N@@H+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)n1 ZINC001254610868 1040839178 /nfs/dbraw/zinc/83/91/78/1040839178.db2.gz MMJYSWPXUFCDSQ-ZWKOTPCHSA-N 1 0 354.410 2.704 20 5 FFBDRO C[N@H+]([C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254611728 1040840279 /nfs/dbraw/zinc/84/02/79/1040840279.db2.gz SDHIHPKQAOVXAL-BDXSIMOUSA-N 1 0 373.453 2.859 20 5 FFBDRO Cc1cncnc1O[C@H]1CCC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254612414 1040841133 /nfs/dbraw/zinc/84/11/33/1040841133.db2.gz WEDBVAWMABQSAQ-MSOLQXFVSA-N 1 0 354.410 2.704 20 5 FFBDRO COc1cccnc1N([C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)C1CC[NH2+]CC1 ZINC001254612482 1040841526 /nfs/dbraw/zinc/84/15/26/1040841526.db2.gz WXEMXVNRNMPYKK-GOSISDBHSA-N 1 0 368.437 2.724 20 5 FFBDRO C[C@H](COc1ccccc1F)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC001261435934 1041235666 /nfs/dbraw/zinc/23/56/66/1041235666.db2.gz KSNLVZVKDYODIJ-HIFRSBDPSA-N 1 0 364.373 2.531 20 5 FFBDRO CN1CC[C@H]([NH2+]CCCNC(=O)c2c3ccccc3nc3ccccc32)C1 ZINC001255425372 1041334535 /nfs/dbraw/zinc/33/45/35/1041334535.db2.gz FJIKDKTVBJPTMU-INIZCTEOSA-N 1 0 362.477 2.802 20 5 FFBDRO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)CCc1ccc([N+](=O)[O-])cc1Cl)C2 ZINC001263169555 1042147107 /nfs/dbraw/zinc/14/71/07/1042147107.db2.gz RMGZFJUIBWKMOW-CALCHBBNSA-N 1 0 351.834 2.639 20 5 FFBDRO Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cccc([N+](=O)[O-])c3N)CC2)cc1 ZINC001318934810 1044947757 /nfs/dbraw/zinc/94/77/57/1044947757.db2.gz FYNROMNPJRAAPF-UHFFFAOYSA-N 1 0 368.437 2.834 20 5 FFBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCC[N@H+]1C ZINC001539396563 1070629542 /nfs/dbraw/zinc/62/95/42/1070629542.db2.gz NCXMVNNEUOGGGJ-LLVKDONJSA-N 1 0 370.247 2.880 20 5 FFBDRO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC001319897993 1045298069 /nfs/dbraw/zinc/29/80/69/1045298069.db2.gz HFODROAMNCOXQC-GJZGRUSLSA-N 1 0 368.865 2.963 20 5 FFBDRO C[C@@H]1CCCN(C(=O)CC[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001320093803 1045348175 /nfs/dbraw/zinc/34/81/75/1045348175.db2.gz CPOPUSRGRGMKIJ-MRXNPFEDSA-N 1 0 374.485 2.802 20 5 FFBDRO COCC[C@@]1([NH2+]Cc2ccc([N+](=O)[O-])cc2Br)CCOC1 ZINC001320876445 1045486433 /nfs/dbraw/zinc/48/64/33/1045486433.db2.gz NZMRXRUVRNQGJL-CQSZACIVSA-N 1 0 359.220 2.643 20 5 FFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCN1CCC(CO)CC1 ZINC001323270350 1045524498 /nfs/dbraw/zinc/52/44/98/1045524498.db2.gz UNZXTEGQWOBPMF-MRXNPFEDSA-N 1 0 367.515 2.759 20 5 FFBDRO C[C@@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001539740243 1070690517 /nfs/dbraw/zinc/69/05/17/1070690517.db2.gz XKFXFTQWEGBMPH-CHWSQXEVSA-N 1 0 363.414 2.658 20 5 FFBDRO Cn1cc(N2CC[C@@H]([NH2+][C@H]3CCCCc4ccc([N+](=O)[O-])cc43)C2)cn1 ZINC001325313957 1046464603 /nfs/dbraw/zinc/46/46/03/1046464603.db2.gz UJLNVZGJZFVPFO-BEFAXECRSA-N 1 0 355.442 2.964 20 5 FFBDRO O=C(Nc1ncc(C2CC[NH2+]CC2)s1)c1cc(F)ccc1[N+](=O)[O-] ZINC001325765283 1046634426 /nfs/dbraw/zinc/63/44/26/1046634426.db2.gz USIIIMFPCQIOEZ-UHFFFAOYSA-N 1 0 350.375 2.910 20 5 FFBDRO Cc1ccc(NC(=O)[C@@]2(O)CCC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC001540600345 1070944753 /nfs/dbraw/zinc/94/47/53/1070944753.db2.gz IWVLLBHILKNKOQ-HXUWFJFHSA-N 1 0 369.421 2.869 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC001290803576 1048398599 /nfs/dbraw/zinc/39/85/99/1048398599.db2.gz NGGMYPZUXPSCSG-MRXNPFEDSA-N 1 0 354.410 2.693 20 5 FFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H](CO)CC1CCOCC1 ZINC001329307010 1048662377 /nfs/dbraw/zinc/66/23/77/1048662377.db2.gz LYWKVGNIBZDALB-HIFRSBDPSA-N 1 0 354.422 2.680 20 5 FFBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@H]3CCC4(C[C@@H]3F)OCCO4)c2c1 ZINC001333763502 1049107066 /nfs/dbraw/zinc/10/70/66/1049107066.db2.gz FHHSMSWWUMQWPY-RDJZCZTQSA-N 1 0 363.389 2.842 20 5 FFBDRO C[N@@H+]1CCCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3N)cc2)CC1 ZINC001541093497 1071052080 /nfs/dbraw/zinc/05/20/80/1071052080.db2.gz JHIWUQFUGVXOEG-UHFFFAOYSA-N 1 0 369.425 2.571 20 5 FFBDRO Cc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2N)[NH+]2CCCC2)o1 ZINC001292572876 1049364336 /nfs/dbraw/zinc/36/43/36/1049364336.db2.gz CIESBVGLAFEOCL-MRXNPFEDSA-N 1 0 358.398 2.645 20 5 FFBDRO COC(=O)c1cc(C)nc(NC2CCN(c3cc[nH+]cc3)CC2)c1[N+](=O)[O-] ZINC001307231889 1050142227 /nfs/dbraw/zinc/14/22/27/1050142227.db2.gz SMGSYHGADNARDO-UHFFFAOYSA-N 1 0 371.397 2.561 20 5 FFBDRO [NH3+][C@H]1CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[C@H]1C(F)(F)F ZINC001341709334 1050328942 /nfs/dbraw/zinc/32/89/42/1050328942.db2.gz MYEMYVSUKHCCFW-APPZFPTMSA-N 1 0 351.712 2.600 20 5 FFBDRO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CC[C@@H]1C[NH3+] ZINC001341874460 1050480126 /nfs/dbraw/zinc/48/01/26/1050480126.db2.gz COIRJVQPTUXZHX-HUUCEWRRSA-N 1 0 360.458 2.642 20 5 FFBDRO O=C([C@@H]1CC[C@@H]2CCCC[C@H]2[NH2+]1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001340181534 1050587165 /nfs/dbraw/zinc/58/71/65/1050587165.db2.gz AWQYQLNIEKAZEQ-IPELMVKDSA-N 1 0 372.469 2.554 20 5 FFBDRO [NH3+]C[C@@H]1CCCC12CCN(C(=O)CCOc1ccccc1[N+](=O)[O-])CC2 ZINC001342079789 1050675607 /nfs/dbraw/zinc/67/56/07/1050675607.db2.gz MEJSHQLZEJGKLO-HNNXBMFYSA-N 1 0 361.442 2.731 20 5 FFBDRO Cc1ccc(CNC(=O)N2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)cc1[N+](=O)[O-] ZINC001340493064 1050891575 /nfs/dbraw/zinc/89/15/75/1050891575.db2.gz ZDJYOFPXOBBTEX-YESZJQIVSA-N 1 0 360.458 2.775 20 5 FFBDRO Cc1ccc(CNC(=O)N2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC001340493062 1050891744 /nfs/dbraw/zinc/89/17/44/1050891744.db2.gz ZDJYOFPXOBBTEX-GVDBMIGSSA-N 1 0 360.458 2.775 20 5 FFBDRO COc1ccc(CC(=O)N2C[C@H](CC[NH3+])c3ccccc32)cc1[N+](=O)[O-] ZINC001342304283 1050899804 /nfs/dbraw/zinc/89/98/04/1050899804.db2.gz ZOIWJVHMOKRPAM-AWEZNQCLSA-N 1 0 355.394 2.625 20 5 FFBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001302177677 1051054249 /nfs/dbraw/zinc/05/42/49/1051054249.db2.gz HTVCKZNXUCUZOZ-MZEUMTGBSA-N 1 0 351.406 2.651 20 5 FFBDRO O=C(N[C@H]1C[NH2+]CC2(CCOCC2)C1)c1cc([N+](=O)[O-])cc2ccccc21 ZINC001340900666 1051228444 /nfs/dbraw/zinc/22/84/44/1051228444.db2.gz CLENOQSROPIWEC-OAHLLOKOSA-N 1 0 369.421 2.637 20 5 FFBDRO O=C(c1cccc2c1OCC[NH2+]C2)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001340950174 1051282235 /nfs/dbraw/zinc/28/22/35/1051282235.db2.gz AZCXERWDPQLHRO-UHFFFAOYSA-N 1 0 367.405 2.882 20 5 FFBDRO O=C(c1csc([N+](=O)[O-])c1)N1C[C@@H](C[C@H]2COCC[NH2+]2)c2ccccc21 ZINC001342758916 1051375247 /nfs/dbraw/zinc/37/52/47/1051375247.db2.gz SUPZEBQRSFFYGJ-OCCSQVGLSA-N 1 0 373.434 2.779 20 5 FFBDRO C[C@]([NH3+])(C(=O)NC[C@H]1C[C@@H]1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC001342880556 1051490507 /nfs/dbraw/zinc/49/05/07/1051490507.db2.gz JZPNDUNVWONXOX-RZQQEMMASA-N 1 0 353.422 2.764 20 5 FFBDRO C[C@H]1C[NH2+][C@@H](C)[C@H](C)N1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001341145769 1051495936 /nfs/dbraw/zinc/49/59/36/1051495936.db2.gz RJLSLRGSABQCSK-SRVKXCTJSA-N 1 0 360.439 2.929 20 5 FFBDRO [NH3+]C[C@H]1CC2(CO1)CCN(C(=O)c1cc([N+](=O)[O-])cc3ccccc31)CC2 ZINC001341206931 1051564857 /nfs/dbraw/zinc/56/48/57/1051564857.db2.gz QLWQJWQBFGCMRQ-MRXNPFEDSA-N 1 0 369.421 2.718 20 5 FFBDRO [NH3+]C[C@@H]1CC2(CO1)CCN(C(=O)c1cc([N+](=O)[O-])cc3ccccc31)CC2 ZINC001341206930 1051565135 /nfs/dbraw/zinc/56/51/35/1051565135.db2.gz QLWQJWQBFGCMRQ-INIZCTEOSA-N 1 0 369.421 2.718 20 5 FFBDRO CCN(c1nnc([C@H](C)[N+](=O)[O-])n1C)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001341358507 1051717976 /nfs/dbraw/zinc/71/79/76/1051717976.db2.gz HAPLULUUIGCPAP-ZOBUZTSGSA-N 1 0 372.473 2.815 20 5 FFBDRO C[N@H+](CCN1CCN(c2c(F)cccc2[N+](=O)[O-])CC1)Cc1ccccc1 ZINC001306958512 1052228479 /nfs/dbraw/zinc/22/84/79/1052228479.db2.gz BFGPAEXVCBIXOS-UHFFFAOYSA-N 1 0 372.444 2.988 20 5 FFBDRO CCN(CCC[NH+](CC)CC)c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC001307097512 1052249912 /nfs/dbraw/zinc/24/99/12/1052249912.db2.gz ZPVPYCKSLQNJMQ-UHFFFAOYSA-N 1 0 351.373 2.905 20 5 FFBDRO CC[NH+]1CCN(c2cccc(Nc3c(Cl)cncc3[N+](=O)[O-])c2)CC1 ZINC001307103094 1052251597 /nfs/dbraw/zinc/25/15/97/1052251597.db2.gz HTMMDCKXSSIAGR-UHFFFAOYSA-N 1 0 361.833 2.951 20 5 FFBDRO COc1ccc(OCC[N@@H+](C)[C@H]2C[C@H](OC)C23CCC3)c([N+](=O)[O-])c1 ZINC001307772092 1052348203 /nfs/dbraw/zinc/34/82/03/1052348203.db2.gz QOBSCICIJDJVLT-IRXDYDNUSA-N 1 0 350.415 2.872 20 5 FFBDRO C[C@@H]([NH2+]CCOCCNC(=O)OC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC001308069070 1052398453 /nfs/dbraw/zinc/39/84/53/1052398453.db2.gz AAVZCFQYXOZKLN-CYBMUJFWSA-N 1 0 353.419 2.787 20 5 FFBDRO O=[N+]([O-])c1ccc(CN2CCC(O)(C[NH+]3CCCCC3)CC2)c(F)c1 ZINC001308150608 1052417468 /nfs/dbraw/zinc/41/74/68/1052417468.db2.gz WLXLDADDPAONGN-UHFFFAOYSA-N 1 0 351.422 2.547 20 5 FFBDRO COc1cc(C[NH2+]C[C@@H](C)CNC(=O)OC(C)(C)C)c([N+](=O)[O-])cc1O ZINC001308341694 1052448055 /nfs/dbraw/zinc/44/80/55/1052448055.db2.gz DRCDMQITIJKGHH-LLVKDONJSA-N 1 0 369.418 2.559 20 5 FFBDRO O=[N+]([O-])c1ccc(CC[NH+]2CCC(CNc3cc(CO)ccn3)CC2)cc1 ZINC001308828595 1052504244 /nfs/dbraw/zinc/50/42/44/1052504244.db2.gz TYRKMQHOLGUATR-UHFFFAOYSA-N 1 0 370.453 2.849 20 5 FFBDRO COc1ccc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001345745512 1052597961 /nfs/dbraw/zinc/59/79/61/1052597961.db2.gz LDGKRACACROXLV-OAHLLOKOSA-N 1 0 370.409 2.999 20 5 FFBDRO COc1ccc(NC(=O)NC[C@H]2CC[N@@H+]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC001345747828 1052599391 /nfs/dbraw/zinc/59/93/91/1052599391.db2.gz YXXYFZPPSUMILG-OAHLLOKOSA-N 1 0 370.409 2.999 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)c3cc(Cl)c(N)c([N+](=O)[O-])c3)C[C@@H]2C1 ZINC001334848991 1053114023 /nfs/dbraw/zinc/11/40/23/1053114023.db2.gz KAMPSZFBCXTZRM-WCFLWFBJSA-N 1 0 366.849 2.633 20 5 FFBDRO Cn1nnnc1CCC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC001335132050 1053228069 /nfs/dbraw/zinc/22/80/69/1053228069.db2.gz JRFDXSNCIHEUJL-UHFFFAOYSA-N 1 0 358.427 2.569 20 5 FFBDRO COc1ccc(NC(=O)NCC[C@@H](C)[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC001347496560 1054045864 /nfs/dbraw/zinc/04/58/64/1054045864.db2.gz SMDIYELTWDTEIT-CYBMUJFWSA-N 1 0 350.419 2.989 20 5 FFBDRO Cc1cc2ncn(C[C@H](O)C[NH2+]Cc3ccccc3[N+](=O)[O-])c2cc1C ZINC001336697928 1054146817 /nfs/dbraw/zinc/14/68/17/1054146817.db2.gz CBFPZIMTWYSPSD-MRXNPFEDSA-N 1 0 354.410 2.712 20 5 FFBDRO C[C@H](NC(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC001336726839 1054171540 /nfs/dbraw/zinc/17/15/40/1054171540.db2.gz DCDISKDMOVJQGR-VHRBIJSZSA-N 1 0 374.363 2.825 20 5 FFBDRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3C)n2C)C1 ZINC001338152771 1055276551 /nfs/dbraw/zinc/27/65/51/1055276551.db2.gz HVLABYPWAMZXOE-OAHLLOKOSA-N 1 0 372.473 2.867 20 5 FFBDRO Cc1cc(-c2nnc(N3CC[C@H]([NH+]4CCCCC4)C3)n2C)cc([N+](=O)[O-])c1 ZINC001338544466 1055610161 /nfs/dbraw/zinc/61/01/61/1055610161.db2.gz CCNYPUMNJWBICA-INIZCTEOSA-N 1 0 370.457 2.763 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CCc2nc3ccccc3s2)c1 ZINC001338737344 1055772321 /nfs/dbraw/zinc/77/23/21/1055772321.db2.gz JECGUVXLTRWKEX-CQSZACIVSA-N 1 0 373.434 2.777 20 5 FFBDRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@H]12)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000847445703 1055792003 /nfs/dbraw/zinc/79/20/03/1055792003.db2.gz DMJNCSPGKWHZEB-FUHWJXTLSA-N 1 0 358.442 2.679 20 5 FFBDRO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC001358318080 1056247004 /nfs/dbraw/zinc/24/70/04/1056247004.db2.gz OYJSWNDKUGWGBG-HNNXBMFYSA-N 1 0 368.231 2.716 20 5 FFBDRO O=[N+]([O-])c1ccc2ncnc(NCC3([NH+]4CCCC4)CCOCC3)c2c1 ZINC000611706475 1056448228 /nfs/dbraw/zinc/44/82/28/1056448228.db2.gz MAYZNLBYEZMENT-UHFFFAOYSA-N 1 0 357.414 2.595 20 5 FFBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001544849917 1071702228 /nfs/dbraw/zinc/70/22/28/1071702228.db2.gz DKAVYJWYQFJBJV-CQSZACIVSA-N 1 0 353.850 2.981 20 5 FFBDRO Cc1c(CNC(=O)c2ccc([C@@H]3CCCC[NH2+]3)n2C)cccc1[N+](=O)[O-] ZINC001353748667 1058174158 /nfs/dbraw/zinc/17/41/58/1058174158.db2.gz HVLSCCPBLJHJOD-HNNXBMFYSA-N 1 0 356.426 2.986 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)CSc3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC001518467516 1058391549 /nfs/dbraw/zinc/39/15/49/1058391549.db2.gz KAKYSSGWFIDNKN-SOUVJXGZSA-N 1 0 363.483 2.876 20 5 FFBDRO O=C(N[C@H]1C[NH+]2CCC1CC2)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001514564696 1058988465 /nfs/dbraw/zinc/98/84/65/1058988465.db2.gz GUKOGHOGVGWGTP-AWEZNQCLSA-N 1 0 358.423 2.542 20 5 FFBDRO O=[N+]([O-])c1cnc(N2CCC([NH2+]C3CCOCC3)CC2)c2ccccc21 ZINC001354485421 1059059478 /nfs/dbraw/zinc/05/94/78/1059059478.db2.gz NFASXCAXQNEGBX-UHFFFAOYSA-N 1 0 356.426 2.880 20 5 FFBDRO C[N@@H+]1CCCC[C@@H](CNC(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)C1 ZINC001453494856 1059377993 /nfs/dbraw/zinc/37/79/93/1059377993.db2.gz SFYKGWCPIIQBHF-ZDUSSCGKSA-N 1 0 356.426 2.792 20 5 FFBDRO COc1ccc(CC(=O)N2CCC3(CCC[C@@H]3C[NH3+])CC2)cc1[N+](=O)[O-] ZINC001515432109 1059655936 /nfs/dbraw/zinc/65/59/36/1059655936.db2.gz IKBIREMWCDYDPV-OAHLLOKOSA-N 1 0 361.442 2.514 20 5 FFBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)C[C@H]1C ZINC001520580854 1059830526 /nfs/dbraw/zinc/83/05/26/1059830526.db2.gz QZNSHTIHZBWFSC-CHWSQXEVSA-N 1 0 356.426 2.885 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)c3cc(F)c([N+](=O)[O-])cc3F)C[C@@H]2C1 ZINC001355057713 1059839421 /nfs/dbraw/zinc/83/94/21/1059839421.db2.gz HTOSUJJYDPTCIV-GRYCIOLGSA-N 1 0 353.369 2.675 20 5 FFBDRO CCN(C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CCC[NH2+]C1 ZINC001515859001 1059848679 /nfs/dbraw/zinc/84/86/79/1059848679.db2.gz IQVPSVPUPGHLDO-CQSZACIVSA-N 1 0 360.439 2.932 20 5 FFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC001355364825 1060172129 /nfs/dbraw/zinc/17/21/29/1060172129.db2.gz RVRVQTYBFJJJHC-YMRXKLBXSA-N 1 0 357.435 2.816 20 5 FFBDRO O=C1O[C@@H](C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CN1C1CC1 ZINC000848577381 1060305436 /nfs/dbraw/zinc/30/54/36/1060305436.db2.gz FACANHCERRPRJJ-AWEZNQCLSA-N 1 0 357.366 2.928 20 5 FFBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(F)(F)Oc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000848584806 1060314768 /nfs/dbraw/zinc/31/47/68/1060314768.db2.gz ISXIXAZOMNXWMO-IUODEOHRSA-N 1 0 369.368 2.509 20 5 FFBDRO CC[N@H+](C)[C@@H]1CCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001457411561 1060371081 /nfs/dbraw/zinc/37/10/81/1060371081.db2.gz IHAZFCGMKGRZAA-CYBMUJFWSA-N 1 0 355.822 2.570 20 5 FFBDRO CC[N@H+](C)[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2Br)C1 ZINC001458045748 1060500560 /nfs/dbraw/zinc/50/05/60/1060500560.db2.gz KKAMCCCPZKVYJS-JTQLQIEISA-N 1 0 356.220 2.524 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)NC(C)(C)C[N@H+](C)Cc2ccccc2)n1 ZINC001521354497 1060551918 /nfs/dbraw/zinc/55/19/18/1060551918.db2.gz LWRBWLUDUGFBTO-UHFFFAOYSA-N 1 0 356.426 2.939 20 5 FFBDRO COCC[N@H+]1[C@H](C)CN(Cc2cc([N+](=O)[O-])ccc2OC(C)C)C[C@@H]1C ZINC001460299443 1060949115 /nfs/dbraw/zinc/94/91/15/1060949115.db2.gz ZTRMEASAQBKRCJ-IYBDPMFKSA-N 1 0 365.474 2.923 20 5 FFBDRO Cc1ccc(C[NH2+]C2(C(=O)N3CCOCC3)CCCCC2)cc1[N+](=O)[O-] ZINC001460939501 1061156538 /nfs/dbraw/zinc/15/65/38/1061156538.db2.gz QQHUWFXMGSPZBB-UHFFFAOYSA-N 1 0 361.442 2.555 20 5 FFBDRO COc1cc(C[NH2+]C[C@H](C)Oc2ccccc2OC)c([N+](=O)[O-])cc1O ZINC001461253297 1061267224 /nfs/dbraw/zinc/26/72/24/1061267224.db2.gz DQDFYCIGHCKAJV-LBPRGKRZSA-N 1 0 362.382 2.875 20 5 FFBDRO C[C@@H]1[C@@H](C)[N@@H+](C)C[C@H](C)N1C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC001461267020 1061271846 /nfs/dbraw/zinc/27/18/46/1061271846.db2.gz FKZWNYNJEPOVJD-YNEHKIRRSA-N 1 0 369.849 2.957 20 5 FFBDRO COc1c(O)ccc(CN2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC001462220879 1061542907 /nfs/dbraw/zinc/54/29/07/1061542907.db2.gz ZVWFRIITXOAAEG-KRWDZBQOSA-N 1 0 371.437 2.668 20 5 FFBDRO COc1cc([N+](=O)[O-])cnc1NC(=O)c1ccc(C[NH+]2CCCCC2)o1 ZINC001462395626 1061607274 /nfs/dbraw/zinc/60/72/74/1061607274.db2.gz LQEKVGFZJCJIOX-UHFFFAOYSA-N 1 0 360.370 2.830 20 5 FFBDRO CC[C@@H](CCC(F)(F)F)[NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001462575031 1061677675 /nfs/dbraw/zinc/67/76/75/1061677675.db2.gz ODEQSVJNZLCYQP-IACUBPJLSA-N 1 0 350.337 2.700 20 5 FFBDRO C[NH2+][C@H](CNC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC001522828311 1062303575 /nfs/dbraw/zinc/30/35/75/1062303575.db2.gz VDJHWUDWEUKEBK-YTQUADARSA-N 1 0 353.422 2.645 20 5 FFBDRO Cc1cc(CNS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])cc(C)n1 ZINC001463913850 1062326889 /nfs/dbraw/zinc/32/68/89/1062326889.db2.gz NFFGIBPUUAQQAN-UHFFFAOYSA-N 1 0 373.793 2.878 20 5 FFBDRO CC[NH+]1CCN(c2cccc(NC(=O)c3cc([N+](=O)[O-])cc(C)n3)c2)CC1 ZINC001435975964 1062607310 /nfs/dbraw/zinc/60/73/10/1062607310.db2.gz OALDZLIHQNVVLZ-UHFFFAOYSA-N 1 0 369.425 2.692 20 5 FFBDRO O=C(N[C@@H]1c2ccccc2CC[C@@H]1[NH+]1CCCC1)c1ccc([N+](=O)[O-])cn1 ZINC001437024625 1062807776 /nfs/dbraw/zinc/80/77/76/1062807776.db2.gz ZNRZIOHZEBXJOE-RBUKOAKNSA-N 1 0 366.421 2.872 20 5 FFBDRO C[C@@]1(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C[NH+]2CCC1CC2 ZINC001531655690 1062842464 /nfs/dbraw/zinc/84/24/64/1062842464.db2.gz GDNLMQAAAOTCKE-MRXNPFEDSA-N 1 0 369.874 2.941 20 5 FFBDRO CC[N@H+](CCNC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1)C(C)C ZINC001464876579 1062888097 /nfs/dbraw/zinc/88/80/97/1062888097.db2.gz CZPDDMLUYOYTFP-UHFFFAOYSA-N 1 0 372.263 2.746 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)n1 ZINC001464876124 1062889563 /nfs/dbraw/zinc/88/95/63/1062889563.db2.gz YSXTXVUCBKRCQR-KRWDZBQOSA-N 1 0 368.437 2.593 20 5 FFBDRO C[C@H](CNC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](C)C1 ZINC001441359649 1063429210 /nfs/dbraw/zinc/42/92/10/1063429210.db2.gz HCQVPESHTQDPFL-GHMZBOCLSA-N 1 0 354.838 2.681 20 5 FFBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 ZINC001468694086 1064024267 /nfs/dbraw/zinc/02/42/67/1064024267.db2.gz WDBXBGPYPLYKPO-HNNXBMFYSA-N 1 0 373.457 2.690 20 5 FFBDRO CC(C)(C(=O)N1CCOc2ccc(C[NH3+])cc21)c1ccc([N+](=O)[O-])cc1 ZINC001575090401 1078105287 /nfs/dbraw/zinc/10/52/87/1078105287.db2.gz SXHRZNUDNCPJKQ-UHFFFAOYSA-N 1 0 355.394 2.757 20 5 FFBDRO CC[N@@H+]1CCC[C@H](NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])C1 ZINC001472023006 1064895543 /nfs/dbraw/zinc/89/55/43/1064895543.db2.gz TXWDWVVROKBWDH-HNNXBMFYSA-N 1 0 354.410 2.871 20 5 FFBDRO CC(C)[C@H]1C[NH2+]CCN1C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001575511290 1078147981 /nfs/dbraw/zinc/14/79/81/1078147981.db2.gz PXLXBWXHLOGPPI-MRXNPFEDSA-N 1 0 354.410 2.727 20 5 FFBDRO CCOC(=O)C[C@@](C)([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C(C)C ZINC001473411124 1065259279 /nfs/dbraw/zinc/25/92/79/1065259279.db2.gz RIPDAZGYTAFVBI-GOSISDBHSA-N 1 0 365.430 2.881 20 5 FFBDRO CCC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@@H](C)C(=O)OCC ZINC001473442217 1065263338 /nfs/dbraw/zinc/26/33/38/1065263338.db2.gz ZCZSSSPUKFXCLJ-AWEZNQCLSA-N 1 0 365.430 2.895 20 5 FFBDRO COc1cc(C[NH2+][C@@H]2COc3c(F)cc(F)cc3C2)c([N+](=O)[O-])cc1O ZINC001474296121 1065486382 /nfs/dbraw/zinc/48/63/82/1065486382.db2.gz ABVGCVRNQOQUSE-LBPRGKRZSA-N 1 0 366.320 2.681 20 5 FFBDRO NC(=O)[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)Cc1ccc(F)cc1 ZINC001474394537 1065510735 /nfs/dbraw/zinc/51/07/35/1065510735.db2.gz MRWAPYCJYMXGNB-ZDUSSCGKSA-N 1 0 365.792 2.821 20 5 FFBDRO NC(=O)[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)Cc1ccc(F)cc1 ZINC001474394536 1065511055 /nfs/dbraw/zinc/51/10/55/1065511055.db2.gz MRWAPYCJYMXGNB-CYBMUJFWSA-N 1 0 365.792 2.821 20 5 FFBDRO Cc1ccc(S(=O)(=O)NCCC[NH+](C(C)C)C(C)C)c(C)c1[N+](=O)[O-] ZINC001475055927 1065688767 /nfs/dbraw/zinc/68/87/67/1065688767.db2.gz YOFPYKGAPVWHDB-UHFFFAOYSA-N 1 0 371.503 2.999 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001475069535 1065692879 /nfs/dbraw/zinc/69/28/79/1065692879.db2.gz UZSCTYDXKLLIME-VNHYZAJKSA-N 1 0 369.487 2.548 20 5 FFBDRO CC(C)[C@H]([NH3+])Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](C)C1 ZINC001576739399 1078268894 /nfs/dbraw/zinc/26/88/94/1078268894.db2.gz ZQEGGHRPBCGPEC-CZUORRHYSA-N 1 0 358.446 2.683 20 5 FFBDRO CC/C=C\Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H]([NH2+]C)C1 ZINC001577313285 1078335925 /nfs/dbraw/zinc/33/59/25/1078335925.db2.gz ZGYVFHQYDDAAIL-FOSCPCJNSA-N 1 0 356.430 2.618 20 5 FFBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC001577597316 1078380201 /nfs/dbraw/zinc/38/02/01/1078380201.db2.gz XCKYIEHRIFNGEG-LLVKDONJSA-N 1 0 351.350 2.716 20 5 FFBDRO CCOc1ccc(C(=O)N2c3ccccc3CC[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC001578171410 1078446599 /nfs/dbraw/zinc/44/65/99/1078446599.db2.gz FMGNBUJMBATYCJ-OAHLLOKOSA-N 1 0 355.394 2.914 20 5 FFBDRO C[NH2+][C@H](C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CCC(C)C ZINC001578576394 1078492861 /nfs/dbraw/zinc/49/28/61/1078492861.db2.gz VTVBLTOJDHXOPK-CQSZACIVSA-N 1 0 360.462 2.944 20 5 FFBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@H]2CC[NH2+][C@@H]2C)cc1 ZINC001579234439 1078596220 /nfs/dbraw/zinc/59/62/20/1078596220.db2.gz CQSNLAOUUOIYEG-PXAZEXFGSA-N 1 0 371.393 2.876 20 5 FFBDRO Cc1c(Br)cc(C(=O)NC2(C)CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC001579516227 1078638145 /nfs/dbraw/zinc/63/81/45/1078638145.db2.gz KJFHMHYOWJDVPA-UHFFFAOYSA-N 1 0 356.220 2.538 20 5 FFBDRO [NH3+]CCN(CC(F)(F)F)C(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC001580305362 1078784625 /nfs/dbraw/zinc/78/46/25/1078784625.db2.gz CCKLFAKYLIFFBE-UHFFFAOYSA-N 1 0 359.226 2.577 20 5 FFBDRO [NH3+]CCOc1cccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)c1 ZINC001580313667 1078785166 /nfs/dbraw/zinc/78/51/66/1078785166.db2.gz LVBJHKSUWKUCLP-UHFFFAOYSA-N 1 0 355.394 2.993 20 5 FFBDRO [NH3+][C@@H]1CN(Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@H]1c1ccccc1F ZINC001580395742 1078797719 /nfs/dbraw/zinc/79/77/19/1078797719.db2.gz YSCDWCKUUHYSAL-YVEFUNNKSA-N 1 0 351.328 2.939 20 5 FFBDRO O=C(NC1(C2CC[NH2+]CC2)CC1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001580595568 1078831236 /nfs/dbraw/zinc/83/12/36/1078831236.db2.gz MBXKFONIVUCKHF-UHFFFAOYSA-N 1 0 357.332 2.876 20 5 FFBDRO O=C(N[C@]12CCC[C@@H]1[NH2+]CC2)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001580599050 1078832439 /nfs/dbraw/zinc/83/24/39/1078832439.db2.gz OGDYOWYWDYHJFD-KXBFYZLASA-N 1 0 352.394 2.671 20 5 FFBDRO O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1NCC1=CC[NH2+]CC1 ZINC001580875848 1078882531 /nfs/dbraw/zinc/88/25/31/1078882531.db2.gz STCFBJYFWOGPSV-UHFFFAOYSA-N 1 0 352.263 2.976 20 5 FFBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CC[N@@H+]2C2CCCCCC2)c(-c2nn[nH]n2)c1 ZINC001582804391 1079109805 /nfs/dbraw/zinc/10/98/05/1079109805.db2.gz RSIGOQGUARNNSC-HNNXBMFYSA-N 1 0 371.445 2.984 20 5 FFBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)cc1Cl ZINC001582804294 1079109868 /nfs/dbraw/zinc/10/98/68/1079109868.db2.gz QHPWRLWUWZCKRR-UHFFFAOYSA-N 1 0 362.752 2.857 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2nn[nH]n2)cc1NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC001582804626 1079110148 /nfs/dbraw/zinc/11/01/48/1079110148.db2.gz WYYSJRMGFWMLDO-AWEZNQCLSA-N 1 0 357.418 2.594 20 5 FFBDRO O=[N+]([O-])c1sc(-c2nn[nH]n2)cc1NCCCCC[NH+]1CCCCC1 ZINC001582805058 1079111675 /nfs/dbraw/zinc/11/16/75/1079111675.db2.gz XIZFJTHXIKCPJX-UHFFFAOYSA-N 1 0 365.463 2.905 20 5 FFBDRO Nc1cc([N+](=O)[O-])ccc1C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC001583178029 1079174548 /nfs/dbraw/zinc/17/45/48/1079174548.db2.gz WTYMSUGHOQPYRN-UHFFFAOYSA-N 1 0 368.437 2.819 20 5 FFBDRO CNc1nccc(C(=O)Nc2ccc(Nc3cc[nH+]cc3)cc2)c1[N+](=O)[O-] ZINC001583412481 1079210929 /nfs/dbraw/zinc/21/09/29/1079210929.db2.gz KKZNOYRZTFMGEA-UHFFFAOYSA-N 1 0 364.365 2.844 20 5 FFBDRO CCc1nc(CNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)c[nH]1 ZINC001558497253 1076016727 /nfs/dbraw/zinc/01/67/27/1076016727.db2.gz HRZLPRJQNWMIBS-UHFFFAOYSA-N 1 0 357.395 2.934 20 5 FFBDRO Nc1cc(CCCCNC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)cc[nH+]1 ZINC001558884404 1076097468 /nfs/dbraw/zinc/09/74/68/1076097468.db2.gz AKJJAMPEUZQRHZ-UHFFFAOYSA-N 1 0 362.817 2.907 20 5 FFBDRO CS[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2Br)C[C@H]1[NH+](C)C ZINC001559719298 1076185562 /nfs/dbraw/zinc/18/55/62/1076185562.db2.gz BAHKTAARCHZBIR-KGLIPLIRSA-N 1 0 374.304 2.835 20 5 FFBDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Br ZINC001560028846 1076215138 /nfs/dbraw/zinc/21/51/38/1076215138.db2.gz FXOQEOIBBZDHMN-YPMHNXCESA-N 1 0 357.204 2.789 20 5 FFBDRO C[C@]12CCCC[C@H]1C[N@@H+]2CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001560046929 1076217213 /nfs/dbraw/zinc/21/72/13/1076217213.db2.gz KFHLQUZAEZFLAK-JXFKEZNVSA-N 1 0 372.469 2.508 20 5 FFBDRO COc1cc2c(cc1O)CC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC001560149170 1076237119 /nfs/dbraw/zinc/23/71/19/1076237119.db2.gz ZSZBSRGUVNYSOB-UHFFFAOYSA-N 1 0 371.393 2.696 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+]Cc2cccc3[nH]ccc32)cc1[N+](=O)[O-] ZINC001560567593 1076280855 /nfs/dbraw/zinc/28/08/55/1076280855.db2.gz LHBXLGAGNGGSMX-UHFFFAOYSA-N 1 0 369.377 2.918 20 5 FFBDRO C[C@@]1(Br)C[C@@H]1C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001560695799 1076292528 /nfs/dbraw/zinc/29/25/28/1076292528.db2.gz VEKDDOZUVLGXGT-IUODEOHRSA-N 1 0 354.248 2.890 20 5 FFBDRO CCCN(CC[NH+](CC)CC)S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC001561455095 1076378406 /nfs/dbraw/zinc/37/84/06/1076378406.db2.gz OGSOVUWAQCVUTR-UHFFFAOYSA-N 1 0 363.505 2.707 20 5 FFBDRO CC(C)[C@H]1C[C@@H]([NH+]2CCCC2)CN1S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC001562011608 1076465838 /nfs/dbraw/zinc/46/58/38/1076465838.db2.gz XPMQIXWLQSEZJA-TZMCWYRMSA-N 1 0 373.500 2.540 20 5 FFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CCC[N@H+](CCCCc1ccccc1)C2 ZINC001571036232 1077244084 /nfs/dbraw/zinc/24/40/84/1077244084.db2.gz UJXUHRGAVORJFZ-RTBURBONSA-N 1 0 371.481 2.599 20 5 FFBDRO C[NH+](C)[C@H]1C[C@H](NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C12CCC2 ZINC001585899136 1079511254 /nfs/dbraw/zinc/51/12/54/1079511254.db2.gz IJZKGJPFIAZEAF-IRXDYDNUSA-N 1 0 369.425 2.588 20 5 FFBDRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)c2cnc(N)c([N+](=O)[O-])c2)CC1 ZINC001586219930 1079577224 /nfs/dbraw/zinc/57/72/24/1079577224.db2.gz CFKDZSHUQTVSKO-ZDUSSCGKSA-N 1 0 369.425 2.527 20 5 FFBDRO CC(C)[NH+]1CCC(CCNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC001586303463 1079594632 /nfs/dbraw/zinc/59/46/32/1079594632.db2.gz SZVNHJQGKYNSRS-UHFFFAOYSA-N 1 0 352.410 2.556 20 5 FFBDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001586938699 1079708994 /nfs/dbraw/zinc/70/89/94/1079708994.db2.gz RDIUSPJTJBEUQT-MRXNPFEDSA-N 1 0 368.437 2.771 20 5 FFBDRO Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)c3cc([N+](=O)[O-])c(F)cc3N)C2)cc1 ZINC001587796436 1079866393 /nfs/dbraw/zinc/86/63/93/1079866393.db2.gz LNJWRZBFDMAZCU-AWEZNQCLSA-N 1 0 372.400 2.629 20 5 FFBDRO C[C@H]([NH2+]Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001589966099 1080908833 /nfs/dbraw/zinc/90/88/33/1080908833.db2.gz WCIHVRDVLDTZCS-JTQLQIEISA-N 1 0 369.341 2.534 20 5 FFBDRO C[C@]1(c2ccccc2)CC[N@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C1 ZINC001590153612 1081055119 /nfs/dbraw/zinc/05/51/19/1081055119.db2.gz MNVYZQYJRIYJMW-IBGZPJMESA-N 1 0 364.409 2.939 20 5 FFBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC001590226596 1081106904 /nfs/dbraw/zinc/10/69/04/1081106904.db2.gz DMHWNHPAEUULGD-GUTXKFCHSA-N 1 0 371.445 2.617 20 5 FFBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000195130907 222621571 /nfs/dbraw/zinc/62/15/71/222621571.db2.gz LNBCPMMUZPTBAU-UHFFFAOYSA-N 1 0 354.410 2.571 20 5 FFBDRO COc1cc(C[NH2+]C[C@]2(C)CCO[C@H]2C2CC2)c([N+](=O)[O-])cc1OC ZINC000372983358 512117410 /nfs/dbraw/zinc/11/74/10/512117410.db2.gz URYXVSQFEUIZDA-ROUUACIJSA-N 1 0 350.415 2.907 20 5 FFBDRO O=[N+]([O-])c1cc(I)ccc1NCC[C@H]1CC[NH2+]C1 ZINC000097349502 250064341 /nfs/dbraw/zinc/06/43/41/250064341.db2.gz WVQIFMJYYQULPF-SECBINFHSA-N 1 0 361.183 2.611 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)NC2CC[NH+](C3CC3)CC2)cc1SC ZINC000103065930 250132712 /nfs/dbraw/zinc/13/27/12/250132712.db2.gz BBLYGYFYZLGJRR-UHFFFAOYSA-N 1 0 365.455 2.682 20 5 FFBDRO COc1ccc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)cc1[N+](=O)[O-] ZINC000103466712 250151470 /nfs/dbraw/zinc/15/14/70/250151470.db2.gz WYEMHWLDLYYJPL-CQSZACIVSA-N 1 0 357.414 2.521 20 5 FFBDRO CC[NH+](CC)CCN(CCOC)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000104970135 250191317 /nfs/dbraw/zinc/19/13/17/250191317.db2.gz JWCDJPWLRHMLAD-UHFFFAOYSA-N 1 0 352.435 2.725 20 5 FFBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000105327889 250210009 /nfs/dbraw/zinc/21/00/09/250210009.db2.gz WLNAFGVNSSLCKC-CQSZACIVSA-N 1 0 360.439 2.885 20 5 FFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CC[NH+](C2CCCC2)CC1 ZINC000117752415 250359735 /nfs/dbraw/zinc/35/97/35/250359735.db2.gz KUDGJHJVDMNEEN-UHFFFAOYSA-N 1 0 351.834 2.878 20 5 FFBDRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000120058944 250540497 /nfs/dbraw/zinc/54/04/97/250540497.db2.gz ZTBSXGKZNGLNPN-QZTJIDSGSA-N 1 0 360.502 2.628 20 5 FFBDRO CNS(=O)(=O)c1cccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000132004922 251037816 /nfs/dbraw/zinc/03/78/16/251037816.db2.gz RNBXGJIDJMXYMY-CYBMUJFWSA-N 1 0 363.439 2.662 20 5 FFBDRO O=C(NCC[C@@H]1CCC[NH2+]C1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000152841050 251074918 /nfs/dbraw/zinc/07/49/18/251074918.db2.gz CAELMZXTPHNEBM-LBPRGKRZSA-N 1 0 360.439 2.838 20 5 FFBDRO CCCNC(=O)CN1CCC([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000153481313 251143269 /nfs/dbraw/zinc/14/32/69/251143269.db2.gz FFKJPGQXJVLNND-HNNXBMFYSA-N 1 0 362.474 2.544 20 5 FFBDRO C[NH+]1CCC([C@@H]2CCN(C(=O)CCCNc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000270278122 251509139 /nfs/dbraw/zinc/50/91/39/251509139.db2.gz UWWCTEXSZANBJG-QGZVFWFLSA-N 1 0 374.485 2.977 20 5 FFBDRO C[C@H](NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)C1=CC[N@H+](C)CC1 ZINC000272704860 252108713 /nfs/dbraw/zinc/10/87/13/252108713.db2.gz GJDYNASACHZWMK-NSHDSACASA-N 1 0 352.822 2.698 20 5 FFBDRO Cn1cc(CN2CC[C@@H]3CC[N@H+](C)C[C@H]32)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000272625520 252084486 /nfs/dbraw/zinc/08/44/86/252084486.db2.gz MKHXDKGSVHEZJN-KBXCAEBGSA-N 1 0 355.442 2.521 20 5 FFBDRO Cc1cc(N2CCC[C@@H](Cn3ccnn3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272870642 252152416 /nfs/dbraw/zinc/15/24/16/252152416.db2.gz SLKGIGSENOWKKI-CQSZACIVSA-N 1 0 352.398 2.960 20 5 FFBDRO C[C@@H](NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])C1=CC[N@H+](C)CC1 ZINC000272926881 252166499 /nfs/dbraw/zinc/16/64/99/252166499.db2.gz KSRFHBGAOMAEBW-GFCCVEGCSA-N 1 0 367.833 2.784 20 5 FFBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000272776988 252129265 /nfs/dbraw/zinc/12/92/65/252129265.db2.gz DEFDGSBTESFVAH-CYBMUJFWSA-N 1 0 350.419 2.799 20 5 FFBDRO Cc1cc(N2CCC(Cn3ccnn3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272781413 252129464 /nfs/dbraw/zinc/12/94/64/252129464.db2.gz AIQXHSVOXOAQDY-UHFFFAOYSA-N 1 0 352.398 2.960 20 5 FFBDRO C[C@H]([NH2+][C@H]1CCCN(Cc2ccccn2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000272967309 252178338 /nfs/dbraw/zinc/17/83/38/252178338.db2.gz GTCPDNRCFWIURI-KSSFIOAISA-N 1 0 354.410 2.832 20 5 FFBDRO C[C@@H](Nc1ccc(C(=O)NC[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000273067774 252206732 /nfs/dbraw/zinc/20/67/32/252206732.db2.gz UVZLAEWWPWJISK-KGLIPLIRSA-N 1 0 369.425 2.502 20 5 FFBDRO CC(C)N1CCc2nc(NC(=O)c3cccc([N+](=O)[O-])c3N)sc2C1 ZINC000273072462 252207809 /nfs/dbraw/zinc/20/78/09/252207809.db2.gz AAHXEOOBDNWIFD-UHFFFAOYSA-N 1 0 361.427 2.652 20 5 FFBDRO COC[C@H]([NH2+]Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-])C1CC1 ZINC000273423181 252303016 /nfs/dbraw/zinc/30/30/16/252303016.db2.gz SHFKJDSATUHPIA-LBPRGKRZSA-N 1 0 360.357 2.762 20 5 FFBDRO CCN(CCC[NH+](C)C)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000276277405 256086519 /nfs/dbraw/zinc/08/65/19/256086519.db2.gz UXTCJBVLSPKOFZ-UHFFFAOYSA-N 1 0 358.236 2.771 20 5 FFBDRO O=[N+]([O-])c1ccc(CN2CCC(OCC[NH+]3CCCC3)CC2)cc1F ZINC000276306006 256088705 /nfs/dbraw/zinc/08/87/05/256088705.db2.gz LAPUTXTWAWEFQJ-UHFFFAOYSA-N 1 0 351.422 2.811 20 5 FFBDRO O=[N+]([O-])c1cc2ccccc2nc1N1CC[NH+](CC2CCOCC2)CC1 ZINC000276684054 256121772 /nfs/dbraw/zinc/12/17/72/256121772.db2.gz VJAQXMNSSONUOZ-UHFFFAOYSA-N 1 0 356.426 2.692 20 5 FFBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]([NH+](C)C)CC2)cc1OC ZINC000277153018 256166093 /nfs/dbraw/zinc/16/60/93/256166093.db2.gz IQXXVNFVJCHLGD-CYBMUJFWSA-N 1 0 365.430 2.558 20 5 FFBDRO C[C@@H]1C[N@H+](CCCNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCCO1 ZINC000277185201 256170055 /nfs/dbraw/zinc/17/00/55/256170055.db2.gz HOEHUWRJMCMTFI-GFCCVEGCSA-N 1 0 370.837 2.871 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CCC([NH2+]C2CC2)CC1 ZINC000277772999 256238047 /nfs/dbraw/zinc/23/80/47/256238047.db2.gz LMMFUQJYJPSQSU-UHFFFAOYSA-N 1 0 353.806 2.756 20 5 FFBDRO O=C(NCCC[NH2+]C1CCCCC1)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278596087 256329285 /nfs/dbraw/zinc/32/92/85/256329285.db2.gz FHYCFULEXDFOOV-UHFFFAOYSA-N 1 0 374.445 2.583 20 5 FFBDRO CN(C)c1cc(F)c(C(=O)NCc2cccc(C[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000279261356 256399195 /nfs/dbraw/zinc/39/91/95/256399195.db2.gz UALNGOQTLFPZQV-UHFFFAOYSA-N 1 0 374.416 2.792 20 5 FFBDRO CC[NH+](CC)[C@H](C)CNC(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000279343966 256407251 /nfs/dbraw/zinc/40/72/51/256407251.db2.gz CSYDYZSPKGFRML-SNVBAGLBSA-N 1 0 358.236 2.817 20 5 FFBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000285612361 256995446 /nfs/dbraw/zinc/99/54/46/256995446.db2.gz QEYPASWBAKRZAW-DZGCQCFKSA-N 1 0 364.421 2.621 20 5 FFBDRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000286693314 257049840 /nfs/dbraw/zinc/04/98/40/257049840.db2.gz LCTAIOMRJHPFEM-UHFFFAOYSA-N 1 0 374.441 2.894 20 5 FFBDRO Cc1cc(C(=O)Nc2ncc(C3CC[NH2+]CC3)s2)c(N)c([N+](=O)[O-])c1 ZINC000286869593 257059377 /nfs/dbraw/zinc/05/93/77/257059377.db2.gz YVMPCRNLSRTUEP-UHFFFAOYSA-N 1 0 361.427 2.661 20 5 FFBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000287074592 257070519 /nfs/dbraw/zinc/07/05/19/257070519.db2.gz KGGATAMFLOQUPL-SJCJKPOMSA-N 1 0 370.409 2.547 20 5 FFBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)cc1[N+](=O)[O-] ZINC000288355672 257179228 /nfs/dbraw/zinc/17/92/28/257179228.db2.gz WIUIJOAFPPHACD-OCCSQVGLSA-N 1 0 362.386 2.510 20 5 FFBDRO COc1ccc(NC(=O)CC[N@@H+]2CCC(F)(F)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000289368234 257277290 /nfs/dbraw/zinc/27/72/90/257277290.db2.gz AZEOLWDTGFUMKQ-LLVKDONJSA-N 1 0 357.357 2.909 20 5 FFBDRO Cc1cnccc1OC1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000289402935 257279345 /nfs/dbraw/zinc/27/93/45/257279345.db2.gz OFCZZPPGBJDKKY-SFHVURJKSA-N 1 0 357.410 2.875 20 5 FFBDRO CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000289478016 257283175 /nfs/dbraw/zinc/28/31/75/257283175.db2.gz BNLFGXWTLBGZNX-ZWKOTPCHSA-N 1 0 361.442 2.599 20 5 FFBDRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)Nc1cccc([N+](=O)[O-])c1Cl ZINC000289683974 257293856 /nfs/dbraw/zinc/29/38/56/257293856.db2.gz NMVOTNXEQRCZAA-LBPRGKRZSA-N 1 0 370.837 2.607 20 5 FFBDRO COc1cc(C[NH2+]C[C@@]2(CO)C[C@H]2c2ccccc2)c([N+](=O)[O-])cc1O ZINC000289979818 257309709 /nfs/dbraw/zinc/30/97/09/257309709.db2.gz WULFQVDNYBIHKK-HNAYVOBHSA-N 1 0 358.394 2.565 20 5 FFBDRO O=C(CCC(=O)N1CC[C@H](C[NH+]2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000295768326 257646384 /nfs/dbraw/zinc/64/63/84/257646384.db2.gz IHTSKMOFRCRGNF-OAHLLOKOSA-N 1 0 359.426 2.502 20 5 FFBDRO C[N@@H+]1CCN(CCCNc2ncccc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000301093973 258024496 /nfs/dbraw/zinc/02/44/96/258024496.db2.gz NFBASQOVWGZHCP-GOSISDBHSA-N 1 0 355.442 2.781 20 5 FFBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000301107927 258026326 /nfs/dbraw/zinc/02/63/26/258026326.db2.gz MWCXGJRYGIEQBZ-CQSZACIVSA-N 1 0 368.437 2.813 20 5 FFBDRO NC(=O)c1cc([N+](=O)[O-])cnc1NCc1ccccc1C[NH+]1CCCCC1 ZINC000301116756 258026777 /nfs/dbraw/zinc/02/67/77/258026777.db2.gz YCYJQSLSBMPPTD-UHFFFAOYSA-N 1 0 369.425 2.687 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1NCc1cccnc1N1CCC(C(N)=O)CC1 ZINC000301216956 258034664 /nfs/dbraw/zinc/03/46/64/258034664.db2.gz ZCWAZXRUWISKGF-UHFFFAOYSA-N 1 0 369.425 2.612 20 5 FFBDRO COc1ccc(NC(=O)CC[N@@H+]2CCOCC23CCCC3)c([N+](=O)[O-])c1 ZINC000299559415 258005826 /nfs/dbraw/zinc/00/58/26/258005826.db2.gz GOKHKTPWXRCVOA-UHFFFAOYSA-N 1 0 363.414 2.577 20 5 FFBDRO COC[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)c1ccccc1 ZINC000299728910 258021524 /nfs/dbraw/zinc/02/15/24/258021524.db2.gz VZKDCTQAQYCBBK-KRWDZBQOSA-N 1 0 373.409 2.909 20 5 FFBDRO C[NH+](C)CC1(CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CCCC1 ZINC000302150401 258091030 /nfs/dbraw/zinc/09/10/30/258091030.db2.gz JYLFFCXYKCWQLW-UHFFFAOYSA-N 1 0 361.489 2.594 20 5 FFBDRO C[C@H]1CN(c2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CCN1CCO ZINC000302345026 258099489 /nfs/dbraw/zinc/09/94/89/258099489.db2.gz ASUFLWHLFYCZRA-VIFPVBQESA-N 1 0 367.755 2.770 20 5 FFBDRO Cc1cc(N(C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000302431317 258102113 /nfs/dbraw/zinc/10/21/13/258102113.db2.gz LFRSWXXMLZNRHW-FQEVSTJZSA-N 1 0 355.438 2.976 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1C[C@H](CC[NH3+])c2ccccc21 ZINC000327252997 258116107 /nfs/dbraw/zinc/11/61/07/258116107.db2.gz ABYVMAXTJJCPOF-ZDUSSCGKSA-N 1 0 361.423 2.545 20 5 FFBDRO COc1cc(N2C[C@@H]3[C@H](C2)OCCN3Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000301641027 258060409 /nfs/dbraw/zinc/06/04/09/258060409.db2.gz MEVDAGFSQMDOQZ-QUCCMNQESA-N 1 0 369.421 2.693 20 5 FFBDRO Cc1nc(NC[C@H](C)[NH+]2CCN(c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000301667227 258061653 /nfs/dbraw/zinc/06/16/53/258061653.db2.gz XGEUMKASYWKQHK-HNNXBMFYSA-N 1 0 355.442 2.921 20 5 FFBDRO O=[N+]([O-])c1cnc(N2CC[C@@H](OCC[NH+]3CCCCC3)C2)c(Cl)c1 ZINC000301734757 258065303 /nfs/dbraw/zinc/06/53/03/258065303.db2.gz GPOHOAYVWKHBTJ-CQSZACIVSA-N 1 0 354.838 2.724 20 5 FFBDRO CC(C)c1ccc(C[NH2+][C@H]2CCCC[C@H]2NS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000331023911 258175253 /nfs/dbraw/zinc/17/52/53/258175253.db2.gz RWHWGGNYOGLGIZ-JKSUJKDBSA-N 1 0 369.487 2.668 20 5 FFBDRO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000331490185 258188290 /nfs/dbraw/zinc/18/82/90/258188290.db2.gz ACJBDMBCJSZPPW-CYBMUJFWSA-N 1 0 367.396 2.750 20 5 FFBDRO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CC[NH+](C2CCCC2)CC1 ZINC000332354479 258226960 /nfs/dbraw/zinc/22/69/60/258226960.db2.gz ZDJIQXWEADMFLW-UHFFFAOYSA-N 1 0 353.369 2.502 20 5 FFBDRO CC[NH+](CC)CCCNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000049934659 136123908 /nfs/dbraw/zinc/12/39/08/136123908.db2.gz QULKUQNOTBLSHN-UHFFFAOYSA-N 1 0 362.474 2.659 20 5 FFBDRO O=C(CNc1ccccc1[N+](=O)[O-])NCc1ccccc1C[NH+]1CCCC1 ZINC000065858526 506379917 /nfs/dbraw/zinc/37/99/17/506379917.db2.gz SNKZVWDTUAKKDR-UHFFFAOYSA-N 1 0 368.437 2.919 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@]2(C1)C(=O)Nc1ccccc12 ZINC000377213101 512168892 /nfs/dbraw/zinc/16/88/92/512168892.db2.gz FVVXUWWWXODCHV-IBGZPJMESA-N 1 0 353.378 2.699 20 5 FFBDRO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000371019609 512181127 /nfs/dbraw/zinc/18/11/27/512181127.db2.gz SPXLVKHMAIDEOR-DLBZAZTESA-N 1 0 372.469 2.799 20 5 FFBDRO COc1cc(C[NH2+][C@@H]2CCc3cnn(C(C)C)c3C2)c([N+](=O)[O-])cc1O ZINC000377246400 512183901 /nfs/dbraw/zinc/18/39/01/512183901.db2.gz TXGMBFGGTVVHRJ-CQSZACIVSA-N 1 0 360.414 2.734 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CC[C@@H](C4CCOCC4)C3)o2)cc1 ZINC000371072566 512205593 /nfs/dbraw/zinc/20/55/93/512205593.db2.gz CIRAAZYPOUKXLU-OAHLLOKOSA-N 1 0 358.398 2.893 20 5 FFBDRO Cc1c(NC(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC000415647245 513361126 /nfs/dbraw/zinc/36/11/26/513361126.db2.gz AKDNFIPNOJTKQS-BDAKNGLRSA-N 1 0 371.235 2.880 20 5 FFBDRO CCC[NH2+]CCNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000415648711 513361144 /nfs/dbraw/zinc/36/11/44/513361144.db2.gz CHOJNXASGLJWDX-UHFFFAOYSA-N 1 0 359.224 2.787 20 5 FFBDRO Cc1ccc(C(=O)Nc2ccc(CN3CC[NH+](C)CC3)cc2)cc1[N+](=O)[O-] ZINC000041577144 506532835 /nfs/dbraw/zinc/53/28/35/506532835.db2.gz DQNGQEJKONJJPF-UHFFFAOYSA-N 1 0 368.437 2.903 20 5 FFBDRO O=C(NCc1cccc([N+](=O)[O-])c1)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000067004190 506721927 /nfs/dbraw/zinc/72/19/27/506721927.db2.gz PURGECNHESCLOK-MRXNPFEDSA-N 1 0 358.398 2.824 20 5 FFBDRO C[C@@H]1C[NH+](CCCNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@@H](C)O1 ZINC000043342425 506735491 /nfs/dbraw/zinc/73/54/91/506735491.db2.gz IXWVBQAKXJDAGA-VXGBXAGGSA-N 1 0 370.837 2.869 20 5 FFBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000055389466 506740188 /nfs/dbraw/zinc/74/01/88/506740188.db2.gz HADDVNGZXWKDOA-HZPDHXFCSA-N 1 0 363.458 2.848 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000067202950 506792552 /nfs/dbraw/zinc/79/25/52/506792552.db2.gz CNQVSDGKWMNNEX-UHFFFAOYSA-N 1 0 354.410 2.693 20 5 FFBDRO C[NH+](C)CCOc1cccc(CNC(=O)NCc2cccc([N+](=O)[O-])c2)c1 ZINC000067536260 506914091 /nfs/dbraw/zinc/91/40/91/506914091.db2.gz FTAXLRBLDKDQQP-UHFFFAOYSA-N 1 0 372.425 2.535 20 5 FFBDRO O=C(CNc1ccccc1[N+](=O)[O-])NCCC[N@@H+]1CCc2ccccc2C1 ZINC000067709226 506985621 /nfs/dbraw/zinc/98/56/21/506985621.db2.gz ZGQYUPYUQNTWBL-UHFFFAOYSA-N 1 0 368.437 2.571 20 5 FFBDRO Nc1ccc(C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000045650752 506996893 /nfs/dbraw/zinc/99/68/93/506996893.db2.gz MBEYOABNHWXUDA-UHFFFAOYSA-N 1 0 354.410 2.525 20 5 FFBDRO COc1ccc(CC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000067792419 507011144 /nfs/dbraw/zinc/01/11/44/507011144.db2.gz UGYVNRSQVZNWQE-MRXNPFEDSA-N 1 0 373.409 2.692 20 5 FFBDRO C[NH+](C)CCC1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000056524623 507036375 /nfs/dbraw/zinc/03/63/75/507036375.db2.gz YUHMSDCEZSABID-UHFFFAOYSA-N 1 0 359.430 2.809 20 5 FFBDRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000068085599 507104840 /nfs/dbraw/zinc/10/48/40/507104840.db2.gz JMTGWQXZZOXZGI-STQMWFEESA-N 1 0 359.430 2.569 20 5 FFBDRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000047038424 507255325 /nfs/dbraw/zinc/25/53/25/507255325.db2.gz BWCFVNZVYOMSFW-HOTGVXAUSA-N 1 0 363.458 2.848 20 5 FFBDRO CSc1ccc(C(=O)N2CCN(c3cc[nH+]cc3)CC2)cc1[N+](=O)[O-] ZINC000023913814 507379670 /nfs/dbraw/zinc/37/96/70/507379670.db2.gz UGUVKRSMJKMAEX-UHFFFAOYSA-N 1 0 358.423 2.674 20 5 FFBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000069045970 507391517 /nfs/dbraw/zinc/39/15/17/507391517.db2.gz SDJVLGONZLSQCL-OAHLLOKOSA-N 1 0 371.441 2.631 20 5 FFBDRO CC(C)[N@@H+]1CCCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000069084088 507401538 /nfs/dbraw/zinc/40/15/38/507401538.db2.gz ZIQDMTXIWVNEQK-UHFFFAOYSA-N 1 0 354.838 2.603 20 5 FFBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)C1 ZINC000069138292 507417919 /nfs/dbraw/zinc/41/79/19/507417919.db2.gz NSZHHTLZMQUUIP-KGLIPLIRSA-N 1 0 351.472 2.924 20 5 FFBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000069470337 507495450 /nfs/dbraw/zinc/49/54/50/507495450.db2.gz XEIBEGVECRJMBI-OLZOCXBDSA-N 1 0 369.849 2.864 20 5 FFBDRO CNc1ccc(C(=O)NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000025631972 507517652 /nfs/dbraw/zinc/51/76/52/507517652.db2.gz CYDBIUVONSJBPL-CQSZACIVSA-N 1 0 368.437 2.813 20 5 FFBDRO COc1ccc(C(=O)NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000025634187 507517939 /nfs/dbraw/zinc/51/79/39/507517939.db2.gz PIKVUANGLSAJLL-CQSZACIVSA-N 1 0 369.421 2.780 20 5 FFBDRO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1ccc2c(c1)OCO2 ZINC000026257820 507573104 /nfs/dbraw/zinc/57/31/04/507573104.db2.gz CQQVNKQACFGRAU-UHFFFAOYSA-N 1 0 357.366 2.784 20 5 FFBDRO O=C(CN1CC[NH+](CC2CCCCC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000049981767 507650063 /nfs/dbraw/zinc/65/00/63/507650063.db2.gz UCBLJHXQLMRQPM-UHFFFAOYSA-N 1 0 360.458 2.731 20 5 FFBDRO Cc1n[nH]c(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)c1[N+](=O)[O-] ZINC000072061768 507742761 /nfs/dbraw/zinc/74/27/61/507742761.db2.gz CAIVQRTYTSBXFE-UHFFFAOYSA-N 1 0 371.441 2.932 20 5 FFBDRO C[NH+](C)[C@H](CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)C1CC1 ZINC000051375711 507765759 /nfs/dbraw/zinc/76/57/59/507765759.db2.gz PSPNYSBBDCDCKA-OAHLLOKOSA-N 1 0 360.439 2.788 20 5 FFBDRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000051380777 507767066 /nfs/dbraw/zinc/76/70/66/507767066.db2.gz WRRJTWMYYLAZNR-LBPRGKRZSA-N 1 0 358.423 2.685 20 5 FFBDRO Cc1c(CO)cc([N+](=O)[O-])c(NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000052160059 507799657 /nfs/dbraw/zinc/79/96/57/507799657.db2.gz SMDAVRFULWOKMB-NWDGAFQWSA-N 1 0 366.418 2.836 20 5 FFBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000052305822 507805978 /nfs/dbraw/zinc/80/59/78/507805978.db2.gz SFPCRGXIYKTGND-OKILXGFUSA-N 1 0 369.487 2.778 20 5 FFBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](Cc3ccncc3)CC2)c([N+](=O)[O-])c1 ZINC000052447707 507809454 /nfs/dbraw/zinc/80/94/54/507809454.db2.gz INLQEDSHZWHXSS-UHFFFAOYSA-N 1 0 357.370 2.975 20 5 FFBDRO CC(C)(C)[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1 ZINC000072580500 507827716 /nfs/dbraw/zinc/82/77/16/507827716.db2.gz BDVJWWKHSGZKRW-HZPDHXFCSA-N 1 0 350.394 2.668 20 5 FFBDRO C[NH+](C)CCCOc1ccc(NC(=O)CNc2ccccc2[N+](=O)[O-])cc1 ZINC000107280271 507841526 /nfs/dbraw/zinc/84/15/26/507841526.db2.gz RHQVZUMDZYNZKY-UHFFFAOYSA-N 1 0 372.425 2.976 20 5 FFBDRO CCOc1ccc([C@H](C)[NH2+]CCS(=O)(=O)C(C)(C)C)cc1[N+](=O)[O-] ZINC000089628772 507852319 /nfs/dbraw/zinc/85/23/19/507852319.db2.gz FNFXGFHIXWDJOR-LBPRGKRZSA-N 1 0 358.460 2.857 20 5 FFBDRO CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000089935215 507887632 /nfs/dbraw/zinc/88/76/32/507887632.db2.gz QGEUOIVBPNDDHI-AWEZNQCLSA-N 1 0 358.398 2.550 20 5 FFBDRO CC[NH+](CC)CCOC1CCN(C(=O)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000073246708 507906511 /nfs/dbraw/zinc/90/65/11/507906511.db2.gz ZCNOLFNZMOPUKJ-UHFFFAOYSA-N 1 0 363.458 2.866 20 5 FFBDRO CCC[C@H]([NH2+][C@@H]1CCCN(c2ccn(C)n2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000090115954 507909300 /nfs/dbraw/zinc/90/93/00/507909300.db2.gz RBUHBWRDNPRJPV-DLBZAZTESA-N 1 0 371.441 2.955 20 5 FFBDRO CC(C)[C@@H](CNc1ccc([N+](=O)[O-])c2cccnc12)[NH+]1CCN(C)CC1 ZINC000078886507 507914848 /nfs/dbraw/zinc/91/48/48/507914848.db2.gz HCKGNVVPAKUCNE-GOSISDBHSA-N 1 0 357.458 2.827 20 5 FFBDRO NC(=O)c1ccc(NCCC[N@@H+]2CCc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000073587839 507935055 /nfs/dbraw/zinc/93/50/55/507935055.db2.gz BOTKZOINYBBPTB-UHFFFAOYSA-N 1 0 354.410 2.554 20 5 FFBDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1[nH]nc(CCC)c1[N+](=O)[O-] ZINC000109621296 507971847 /nfs/dbraw/zinc/97/18/47/507971847.db2.gz SEDAQSDDNMSACT-CYBMUJFWSA-N 1 0 351.451 2.655 20 5 FFBDRO COc1cc(CN2CCC[C@H]([NH+](C)C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000109810196 507989339 /nfs/dbraw/zinc/98/93/39/507989339.db2.gz SXBLXRXYFZLYRY-LBPRGKRZSA-N 1 0 359.373 2.731 20 5 FFBDRO CCOc1ccc(C2=CC[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)CC2)cc1 ZINC000091813583 508015126 /nfs/dbraw/zinc/01/51/26/508015126.db2.gz XFJMJUUHRHMTDN-UHFFFAOYSA-N 1 0 369.421 2.945 20 5 FFBDRO C[C@H]1C[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2N)CC[N@@H+]1Cc1ccccc1 ZINC000079945118 508017513 /nfs/dbraw/zinc/01/75/13/508017513.db2.gz NHQZZPYMXFUOGZ-HOCLYGCPSA-N 1 0 368.437 2.960 20 5 FFBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000110594729 508036097 /nfs/dbraw/zinc/03/60/97/508036097.db2.gz VCOIMBDDVOKJOO-CQSZACIVSA-N 1 0 356.426 2.887 20 5 FFBDRO CC[NH+](CC)CCOC1CCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000075063769 508080639 /nfs/dbraw/zinc/08/06/39/508080639.db2.gz YCFYOWGVVHOWIJ-UHFFFAOYSA-N 1 0 356.854 2.970 20 5 FFBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)C1 ZINC000075215896 508090532 /nfs/dbraw/zinc/09/05/32/508090532.db2.gz BRGUDUZZYIDLGL-CYBMUJFWSA-N 1 0 364.402 2.615 20 5 FFBDRO Cc1cc(N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000080640980 508090652 /nfs/dbraw/zinc/09/06/52/508090652.db2.gz GUILHMVEYBYWKX-CQSZACIVSA-N 1 0 352.866 2.773 20 5 FFBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000081331450 508163771 /nfs/dbraw/zinc/16/37/71/508163771.db2.gz PPQNBCDBUVBJMX-OAHLLOKOSA-N 1 0 371.441 2.584 20 5 FFBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000081363825 508167677 /nfs/dbraw/zinc/16/76/77/508167677.db2.gz HYGJSYYWZOXSST-ZDUSSCGKSA-N 1 0 353.850 2.981 20 5 FFBDRO CN(C(=O)CN1CC[N@H+](C)CC12CCCCC2)c1ccc([N+](=O)[O-])cc1 ZINC000081597717 508195368 /nfs/dbraw/zinc/19/53/68/508195368.db2.gz IFBOQMBIRBLETC-UHFFFAOYSA-N 1 0 360.458 2.508 20 5 FFBDRO C[C@@H]([NH2+]C1(CNC(=O)c2ccc([N+](=O)[O-])o2)CCOCC1)c1ccccc1 ZINC000113236981 508253713 /nfs/dbraw/zinc/25/37/13/508253713.db2.gz HQALXRZZEFJVNE-CQSZACIVSA-N 1 0 373.409 2.818 20 5 FFBDRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000113270677 508256703 /nfs/dbraw/zinc/25/67/03/508256703.db2.gz FRRPTJMWCHDFIZ-WMLDXEAASA-N 1 0 356.426 2.961 20 5 FFBDRO NC(=O)CC[C@@H]1CCC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000104685431 508341657 /nfs/dbraw/zinc/34/16/57/508341657.db2.gz SBYKQASGXRILCY-AWEZNQCLSA-N 1 0 372.425 2.770 20 5 FFBDRO C[NH+](C)CC[C@@H](NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)C(C)(C)C ZINC000116128836 508475284 /nfs/dbraw/zinc/47/52/84/508475284.db2.gz DRWYIXAASULEPH-QGZVFWFLSA-N 1 0 373.457 2.877 20 5 FFBDRO C[NH+](C)CC[C@H](NC(=O)CCNc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000116125468 508475433 /nfs/dbraw/zinc/47/54/33/508475433.db2.gz HRUORDUTRYLRRK-INIZCTEOSA-N 1 0 350.463 2.879 20 5 FFBDRO O=C1NCCN1C1CC[NH+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000127649705 508481977 /nfs/dbraw/zinc/48/19/77/508481977.db2.gz PPAURZLJSWZJLP-UHFFFAOYSA-N 1 0 370.409 2.844 20 5 FFBDRO C[N@@H+]1CCCC[C@@H]1CN1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000116279124 508494237 /nfs/dbraw/zinc/49/42/37/508494237.db2.gz DNSIEBCKOIAIML-QGZVFWFLSA-N 1 0 366.893 2.850 20 5 FFBDRO O=C(C[C@H]1COCCN1CCOc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000134191497 508505611 /nfs/dbraw/zinc/50/56/11/508505611.db2.gz WFOCHYAIVWRWKX-SFHVURJKSA-N 1 0 370.405 2.947 20 5 FFBDRO O=C([C@@H]1CCC[N@H+](Cc2cccnc2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000116391755 508506550 /nfs/dbraw/zinc/50/65/50/508506550.db2.gz AKBUVSVXUNSICU-QGZVFWFLSA-N 1 0 366.421 2.791 20 5 FFBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157309029 508550314 /nfs/dbraw/zinc/55/03/14/508550314.db2.gz WDUABJKVOZKWDQ-RDJZCZTQSA-N 1 0 360.458 2.872 20 5 FFBDRO C[NH+](C)[C@@H]1CCCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000116746900 508554162 /nfs/dbraw/zinc/55/41/62/508554162.db2.gz HEUKDUWGYCRNBF-CYBMUJFWSA-N 1 0 355.822 2.570 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134873679 508571433 /nfs/dbraw/zinc/57/14/33/508571433.db2.gz ZHNLQPAYZDKSIC-BEFAXECRSA-N 1 0 372.469 2.790 20 5 FFBDRO C[C@@H](CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[N@@H+]1CCC[C@H](C)C1 ZINC000153517425 508591402 /nfs/dbraw/zinc/59/14/02/508591402.db2.gz YIGWJUILVHYUKZ-KBPBESRZSA-N 1 0 358.442 2.855 20 5 FFBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000122836732 508594186 /nfs/dbraw/zinc/59/41/86/508594186.db2.gz NHAIYDAEXPBFLY-CYBMUJFWSA-N 1 0 370.247 2.914 20 5 FFBDRO CC(C)CO[C@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000128903018 508657737 /nfs/dbraw/zinc/65/77/37/508657737.db2.gz AZRXBZWYKMQIJU-AWEZNQCLSA-N 1 0 353.394 2.809 20 5 FFBDRO COc1cc(C[N@@H+]2CC[C@@]3(CCOC3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000153854968 508663544 /nfs/dbraw/zinc/66/35/44/508663544.db2.gz PFUYLJJSRMAOFT-MRXNPFEDSA-N 1 0 358.341 2.817 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CN1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC000153882978 508668846 /nfs/dbraw/zinc/66/88/46/508668846.db2.gz 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COCC[N@H+](C)CCCC1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000129416085 508724345 /nfs/dbraw/zinc/72/43/45/508724345.db2.gz SQGBPCGANAVDDV-UHFFFAOYSA-N 1 0 363.458 2.805 20 5 FFBDRO O=[N+]([O-])c1cccc(Cl)c1CN1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000119106291 508727172 /nfs/dbraw/zinc/72/71/72/508727172.db2.gz VZXKUNSUMFBUGB-AWEZNQCLSA-N 1 0 353.850 2.792 20 5 FFBDRO Cn1ccnc1C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000123816845 508742750 /nfs/dbraw/zinc/74/27/50/508742750.db2.gz NEEZZXFPMKKXPH-HNNXBMFYSA-N 1 0 371.441 2.612 20 5 FFBDRO C[C@H]1C[C@H](NC(=O)c2cccc([N+](=O)[O-])c2N)C[N@@H+]1Cc1ccccc1 ZINC000137495436 508758049 /nfs/dbraw/zinc/75/80/49/508758049.db2.gz MRNWPIYBWQNBGX-ZFWWWQNUSA-N 1 0 354.410 2.570 20 5 FFBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000119321977 508773202 /nfs/dbraw/zinc/77/32/02/508773202.db2.gz FAYXXJOOILRJHJ-CYBMUJFWSA-N 1 0 353.850 2.885 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCOC2(CCCC2)C1 ZINC000139779139 508795282 /nfs/dbraw/zinc/79/52/82/508795282.db2.gz PYRLHHJDPYGFED-UHFFFAOYSA-N 1 0 363.414 2.577 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N3CC[C@@]4(CC[NH2+]C4)C3)cc2[N+](=O)[O-])CC1 ZINC000159172906 508803521 /nfs/dbraw/zinc/80/35/21/508803521.db2.gz ZOQORCOTXBDWHK-HXUWFJFHSA-N 1 0 372.469 2.657 20 5 FFBDRO CN(CCCN1CC[NH+](C)CC1)c1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000124332530 508816407 /nfs/dbraw/zinc/81/64/07/508816407.db2.gz UWDLJTQKTXGHTM-UHFFFAOYSA-N 1 0 361.273 2.975 20 5 FFBDRO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000142343582 508823476 /nfs/dbraw/zinc/82/34/76/508823476.db2.gz XEPJHAOCBJZGCA-MRXNPFEDSA-N 1 0 358.442 2.505 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)CC(C)(C)CN1CCOCC1 ZINC000124502225 508843215 /nfs/dbraw/zinc/84/32/15/508843215.db2.gz AZAKRYITFAAYNE-UHFFFAOYSA-N 1 0 365.474 2.784 20 5 FFBDRO Cc1nccn1CCC[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000130766374 508843472 /nfs/dbraw/zinc/84/34/72/508843472.db2.gz XCWGLFOBKUTQOY-UHFFFAOYSA-N 1 0 359.430 2.759 20 5 FFBDRO C[C@H]1CCCN(c2ccc(C(=O)N3CCCC[C@@H]3C[NH3+])cc2[N+](=O)[O-])C1 ZINC000130875763 508858887 /nfs/dbraw/zinc/85/88/87/508858887.db2.gz CFGWSGPZGCHUFA-GOEBONIOSA-N 1 0 360.458 2.785 20 5 FFBDRO Cc1ccccc1[C@H](C)[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000159646412 508870568 /nfs/dbraw/zinc/87/05/68/508870568.db2.gz GORNCKDTPADOPA-AWEZNQCLSA-N 1 0 363.439 2.532 20 5 FFBDRO O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000150763731 508888736 /nfs/dbraw/zinc/88/87/36/508888736.db2.gz BPGDBJCTWAHSGK-CQSZACIVSA-N 1 0 362.386 2.594 20 5 FFBDRO C[C@H]1SCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@H]1c1ccccc1 ZINC000159833893 508898394 /nfs/dbraw/zinc/89/83/94/508898394.db2.gz ZPMWIUJVEGKWOU-RDTXWAMCSA-N 1 0 359.451 2.935 20 5 FFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000119970698 508900730 /nfs/dbraw/zinc/90/07/30/508900730.db2.gz LAKNBZFUOFWMNE-BEFAXECRSA-N 1 0 353.422 2.774 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000120141307 508937158 /nfs/dbraw/zinc/93/71/58/508937158.db2.gz GACXJYNXQHPHLU-UHFFFAOYSA-N 1 0 355.398 2.961 20 5 FFBDRO C[NH2+][C@@H]1CCCN(C(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)C1 ZINC000150997191 508937179 /nfs/dbraw/zinc/93/71/79/508937179.db2.gz CGKWNTSPNXQFDD-MRXNPFEDSA-N 1 0 360.458 2.655 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)cc2[N+](=O)[O-])CC1 ZINC000160567465 509004455 /nfs/dbraw/zinc/00/44/55/509004455.db2.gz XYOUAFOSQSMUFS-CALCHBBNSA-N 1 0 372.469 2.798 20 5 FFBDRO C[C@@H](Nc1ccc(C(=O)N2CCC[NH2+]CC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000160820909 509037232 /nfs/dbraw/zinc/03/72/32/509037232.db2.gz KIEGIWMHLQVLGV-CQSZACIVSA-N 1 0 369.425 2.598 20 5 FFBDRO COc1ccc(CNC(=O)C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000160977847 509055564 /nfs/dbraw/zinc/05/55/64/509055564.db2.gz WPGSIQQFPIKAHS-CQSZACIVSA-N 1 0 357.410 2.879 20 5 FFBDRO O=[N+]([O-])c1ccc(OCCC[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)cc1 ZINC000161348009 509105204 /nfs/dbraw/zinc/10/52/04/509105204.db2.gz OTJZPLGNMKZVGR-OAHLLOKOSA-N 1 0 362.348 2.999 20 5 FFBDRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000161555518 509128880 /nfs/dbraw/zinc/12/88/80/509128880.db2.gz VVNHFVYHTOAJMJ-SNVBAGLBSA-N 1 0 368.231 2.571 20 5 FFBDRO CNC(=O)c1ccc(CN(C)Cc2cc(OC)c(OC)cc2[N+](=O)[O-])cc1 ZINC000121160866 509141892 /nfs/dbraw/zinc/14/18/92/509141892.db2.gz QBULPPATHIEGBB-UHFFFAOYSA-N 1 0 373.409 2.604 20 5 FFBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000156197466 509143393 /nfs/dbraw/zinc/14/33/93/509143393.db2.gz NLLUOUYLPCAUPZ-CQSZACIVSA-N 1 0 357.414 2.780 20 5 FFBDRO CNC(=O)c1ccc(N(CC[NH+](C)C)Cc2ccccc2F)c([N+](=O)[O-])c1 ZINC000161970683 509166986 /nfs/dbraw/zinc/16/69/86/509166986.db2.gz RKPRGNHBBDYMME-UHFFFAOYSA-N 1 0 374.416 2.662 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)n1 ZINC000121385545 509171147 /nfs/dbraw/zinc/17/11/47/509171147.db2.gz WPCSMMNOXKNOAT-KBPBESRZSA-N 1 0 357.414 2.919 20 5 FFBDRO C[N@H+](CCNC(=O)c1ccc([N+](=O)[O-])cc1Br)C1CCCC1 ZINC000121423379 509173095 /nfs/dbraw/zinc/17/30/95/509173095.db2.gz WWJYRJLLURPJKM-UHFFFAOYSA-N 1 0 370.247 2.962 20 5 FFBDRO Cc1ccc(NC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)c(C)n1 ZINC000121553111 509178308 /nfs/dbraw/zinc/17/83/08/509178308.db2.gz GQLDZSICJGPXLH-UHFFFAOYSA-N 1 0 370.365 2.933 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)c1 ZINC000248068525 509228036 /nfs/dbraw/zinc/22/80/36/509228036.db2.gz QALPSCAZVBXVPE-SJLPKXTDSA-N 1 0 355.394 2.779 20 5 FFBDRO C[N@@H+]1CCC[C@@H]2CN(Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CC[C@H]21 ZINC000248161113 509251367 /nfs/dbraw/zinc/25/13/67/509251367.db2.gz SDFZJKDHEZVBTR-GDBMZVCRSA-N 1 0 357.414 2.561 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)c1 ZINC000172884103 509289988 /nfs/dbraw/zinc/28/99/88/509289988.db2.gz QPGWVBWNUHJUDI-UHFFFAOYSA-N 1 0 368.437 2.903 20 5 FFBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000192021915 509301618 /nfs/dbraw/zinc/30/16/18/509301618.db2.gz WSHBVFHPSTZQQF-WBVHZDCISA-N 1 0 363.801 2.530 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H](c2ccc(Cl)cc2)C2CCC2)c1 ZINC000182601475 509326898 /nfs/dbraw/zinc/32/68/98/509326898.db2.gz WNGUTOLETWWKMJ-IRXDYDNUSA-N 1 0 364.833 2.937 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000248454442 509328996 /nfs/dbraw/zinc/32/89/96/509328996.db2.gz KKHSEBDEYDQSSC-QZTJIDSGSA-N 1 0 371.437 2.911 20 5 FFBDRO COc1cccc([C@H](CNC(=O)Cc2cccc([N+](=O)[O-])c2)[NH+](C)C)c1 ZINC000172981701 509335302 /nfs/dbraw/zinc/33/53/02/509335302.db2.gz JESIMAATDBMHOQ-SFHVURJKSA-N 1 0 357.410 2.565 20 5 FFBDRO COc1cc(C[NH2+]C2(CO)CCCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000182648547 509351362 /nfs/dbraw/zinc/35/13/62/509351362.db2.gz TYAJGPVOQRFUAF-UHFFFAOYSA-N 1 0 360.357 2.642 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2CCCC[C@H]2Cc2ccccc2)c1 ZINC000248565307 509366546 /nfs/dbraw/zinc/36/65/46/509366546.db2.gz OQAYPSMUORSSOE-UHOSZYNNSA-N 1 0 358.442 2.543 20 5 FFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)NCCC[NH+]1CCCC1 ZINC000176192151 509369931 /nfs/dbraw/zinc/36/99/31/509369931.db2.gz KVQBRLAAPGJNCV-UHFFFAOYSA-N 1 0 370.247 2.502 20 5 FFBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NC2CC[NH+](C3CCCCC3)CC2)c1 ZINC000185889096 509410021 /nfs/dbraw/zinc/41/00/21/509410021.db2.gz ZGOAWQDMUJXRSL-UHFFFAOYSA-N 1 0 367.471 2.670 20 5 FFBDRO CCCc1n[nH]c(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000248719030 509451700 /nfs/dbraw/zinc/45/17/00/509451700.db2.gz CDVJBGKBCXQYCM-CJNGLKHVSA-N 1 0 371.441 2.521 20 5 FFBDRO O=C(NCC1([NH+]2CCCC2)CCOCC1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000267425684 509474698 /nfs/dbraw/zinc/47/46/98/509474698.db2.gz UEADCXXCNMTIKY-UHFFFAOYSA-N 1 0 367.833 2.623 20 5 FFBDRO O=[N+]([O-])c1ccc(CNC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000192358121 509481723 /nfs/dbraw/zinc/48/17/23/509481723.db2.gz UXUDPMMGENUZMD-HXUWFJFHSA-N 1 0 355.438 2.976 20 5 FFBDRO C[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)CC1(c2ccccc2)CC1 ZINC000189287294 509502913 /nfs/dbraw/zinc/50/29/13/509502913.db2.gz QGQARLZUYKENJP-SFHVURJKSA-N 1 0 356.422 2.998 20 5 FFBDRO C[NH+](C)CCc1ccc(Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1 ZINC000264452633 509536250 /nfs/dbraw/zinc/53/62/50/509536250.db2.gz INXYLDOISAWGFV-UHFFFAOYSA-N 1 0 363.439 2.846 20 5 FFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000267551695 509537736 /nfs/dbraw/zinc/53/77/36/509537736.db2.gz CHUIIAJWQCDXIY-WBVHZDCISA-N 1 0 356.426 2.635 20 5 FFBDRO CC[NH2+]CC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000237040506 509556652 /nfs/dbraw/zinc/55/66/52/509556652.db2.gz NEFVEIJCXKPYKM-UHFFFAOYSA-N 1 0 370.247 2.819 20 5 FFBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000176537797 509570058 /nfs/dbraw/zinc/57/00/58/509570058.db2.gz YJTOIXMYEWCVPD-NWDGAFQWSA-N 1 0 370.247 2.960 20 5 FFBDRO Cc1c(NC(=O)CC[NH2+][C@@H](C)c2nnc3ccccn32)cccc1[N+](=O)[O-] ZINC000192813277 509655175 /nfs/dbraw/zinc/65/51/75/509655175.db2.gz YUTLBCVQKLWJGK-ZDUSSCGKSA-N 1 0 368.397 2.625 20 5 FFBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000173602488 509669270 /nfs/dbraw/zinc/66/92/70/509669270.db2.gz KSQOMPAYMMFFFO-OAHLLOKOSA-N 1 0 371.441 2.584 20 5 FFBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000189628785 509671749 /nfs/dbraw/zinc/67/17/49/509671749.db2.gz JUELOZXGDOOYPC-UHFFFAOYSA-N 1 0 368.437 2.614 20 5 FFBDRO CC[N@@H+]1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CC1 ZINC000267950095 509683455 /nfs/dbraw/zinc/68/34/55/509683455.db2.gz VWTGTECNYAFFGF-UHFFFAOYSA-N 1 0 374.210 2.664 20 5 FFBDRO CN1CCN(C)[C@H](C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000264767521 509692235 /nfs/dbraw/zinc/69/22/35/509692235.db2.gz QETRGTNZSGRSPD-MRXNPFEDSA-N 1 0 360.483 2.659 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000237630797 509695706 /nfs/dbraw/zinc/69/57/06/509695706.db2.gz AFOOISBAHFWZLD-NWDGAFQWSA-N 1 0 355.822 2.521 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000170648240 509696961 /nfs/dbraw/zinc/69/69/61/509696961.db2.gz AIXZDUCSABUFRB-CYBMUJFWSA-N 1 0 365.430 2.950 20 5 FFBDRO CN(CC(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC000173660278 509705957 /nfs/dbraw/zinc/70/59/57/509705957.db2.gz NVQVSYYQRSRGMH-SFHVURJKSA-N 1 0 374.416 2.589 20 5 FFBDRO CCc1n[nH]c(C(=O)NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000186436823 509707971 /nfs/dbraw/zinc/70/79/71/509707971.db2.gz BPNJXOWGOMJKKJ-MRXNPFEDSA-N 1 0 371.441 2.521 20 5 FFBDRO Cn1nc2c(cc1=O)C[N@@H+](Cc1ccc(-c3ccc([N+](=O)[O-])cc3)o1)CC2 ZINC000180013180 509709922 /nfs/dbraw/zinc/70/99/22/509709922.db2.gz MKXVRXXAYRAWNH-UHFFFAOYSA-N 1 0 366.377 2.507 20 5 FFBDRO C[C@H](C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000249733968 509746195 /nfs/dbraw/zinc/74/61/95/509746195.db2.gz CTFCMQPENOWTST-BZUAXINKSA-N 1 0 360.458 2.505 20 5 FFBDRO CCOC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C(C)C ZINC000189799268 509757356 /nfs/dbraw/zinc/75/73/56/509757356.db2.gz NOBWNJWVSRMKNM-WFASDCNBSA-N 1 0 353.419 2.581 20 5 FFBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](CCO[C@@H]3CCCCO3)CC2)cc1 ZINC000193060322 509760286 /nfs/dbraw/zinc/76/02/86/509760286.db2.gz JLLHDIYAUHYTNK-GOSISDBHSA-N 1 0 350.415 2.981 20 5 FFBDRO C[NH+](C)Cc1ccnc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)c1 ZINC000176926201 509769626 /nfs/dbraw/zinc/76/96/26/509769626.db2.gz BJLTZNUNAYPNPV-UHFFFAOYSA-N 1 0 355.398 2.878 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1SC ZINC000268171631 509794981 /nfs/dbraw/zinc/79/49/81/509794981.db2.gz FBNBPGSMWDDZRT-GXFFZTMASA-N 1 0 365.455 2.538 20 5 FFBDRO C[C@@H]1CCC[N@H+](CCNC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000176987487 509801771 /nfs/dbraw/zinc/80/17/71/509801771.db2.gz BCMXWLFMFANMPG-LLVKDONJSA-N 1 0 370.247 2.819 20 5 FFBDRO COc1cc(C[N@@H+]2CC[C@]3(CCOC3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000180239987 509829469 /nfs/dbraw/zinc/82/94/69/509829469.db2.gz JVNFRMAMWBOIIE-KRWDZBQOSA-N 1 0 372.368 2.860 20 5 FFBDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000186746605 509886650 /nfs/dbraw/zinc/88/66/50/509886650.db2.gz GJEXKNIFJQYQHA-LLVKDONJSA-N 1 0 370.837 2.557 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000186780898 509897674 /nfs/dbraw/zinc/89/76/74/509897674.db2.gz YYMNUEAFXWOSEA-AWEZNQCLSA-N 1 0 364.446 2.521 20 5 FFBDRO O=[N+]([O-])c1ccn(CC[N@H+](Cc2ccccc2)C[C@H](O)c2ccco2)n1 ZINC000177160242 509910170 /nfs/dbraw/zinc/91/01/70/509910170.db2.gz JQWUUMHGUVGFOF-INIZCTEOSA-N 1 0 356.382 2.620 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCC(O)(Cc3cccc(F)c3)CC2)c1 ZINC000186924057 509953688 /nfs/dbraw/zinc/95/36/88/509953688.db2.gz HSWKMNDCCZSABL-LJQANCHMSA-N 1 0 374.412 2.837 20 5 FFBDRO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN([C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)CC2 ZINC000245492564 509961970 /nfs/dbraw/zinc/96/19/70/509961970.db2.gz JSHNOFUARYZLDS-LESCRADOSA-N 1 0 360.458 2.869 20 5 FFBDRO COc1ccc(OCCN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c([N+](=O)[O-])c1 ZINC000245494967 509963416 /nfs/dbraw/zinc/96/34/16/509963416.db2.gz OMAYGWUFZQEFQC-CVEARBPZSA-N 1 0 363.458 2.929 20 5 FFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000174186279 509991373 /nfs/dbraw/zinc/99/13/73/509991373.db2.gz VMJXIGOUSIYQRJ-UHFFFAOYSA-N 1 0 362.430 2.704 20 5 FFBDRO C[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCN1CCO ZINC000190241679 510021679 /nfs/dbraw/zinc/02/16/79/510021679.db2.gz IHGBHKHWGSLHNF-CQSZACIVSA-N 1 0 361.467 2.822 20 5 FFBDRO Cc1c(NC(=O)CCN2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000261851037 510089732 /nfs/dbraw/zinc/08/97/32/510089732.db2.gz VLFOLWLOKUMWQS-DLBZAZTESA-N 1 0 368.437 2.659 20 5 FFBDRO C[NH2+][C@@H](C)Cc1noc(-c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])n1 ZINC000261889390 510103470 /nfs/dbraw/zinc/10/34/70/510103470.db2.gz XFHOUBSSUDZCQD-QMMMGPOBSA-N 1 0 360.292 2.736 20 5 FFBDRO C[C@@H](NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)[C@H](c1ccccc1)[NH+](C)C ZINC000187220216 510131426 /nfs/dbraw/zinc/13/14/26/510131426.db2.gz ZDGZOABKHBGRNU-SJKOYZFVSA-N 1 0 371.393 2.745 20 5 FFBDRO C[NH+]1CCC(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])CC1 ZINC000193927547 510132630 /nfs/dbraw/zinc/13/26/30/510132630.db2.gz JYEAAXNLFBOMFV-UHFFFAOYSA-N 1 0 369.421 2.998 20 5 FFBDRO C[C@H](NC(=O)CN(C)c1ccccc1[N+](=O)[O-])[C@@H](c1ccccc1)[NH+](C)C ZINC000187258726 510154918 /nfs/dbraw/zinc/15/49/18/510154918.db2.gz GJGJNJVUZNAXIF-YWZLYKJASA-N 1 0 370.453 2.839 20 5 FFBDRO C[C@H](NC(=O)CN(C)c1ccccc1[N+](=O)[O-])[C@H](c1ccccc1)[NH+](C)C ZINC000187258761 510155201 /nfs/dbraw/zinc/15/52/01/510155201.db2.gz GJGJNJVUZNAXIF-MGPUTAFESA-N 1 0 370.453 2.839 20 5 FFBDRO COC(=O)c1ccccc1CC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000187262221 510156611 /nfs/dbraw/zinc/15/66/11/510156611.db2.gz QQQHGDKVLJWNOU-HNNXBMFYSA-N 1 0 370.409 2.505 20 5 FFBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1CC[NH2+]C[C@@H]1c1cccc(Cl)c1 ZINC000262075345 510168300 /nfs/dbraw/zinc/16/83/00/510168300.db2.gz SSMRSRWVGCNIHA-QGZVFWFLSA-N 1 0 359.813 2.964 20 5 FFBDRO COc1ccccc1[C@@H]1C[NH2+]CCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000262112385 510180451 /nfs/dbraw/zinc/18/04/51/510180451.db2.gz AZCRSGGODNOXFX-SFHVURJKSA-N 1 0 357.410 2.629 20 5 FFBDRO COc1ccccc1CNC(=O)[C@@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000194056740 510196873 /nfs/dbraw/zinc/19/68/73/510196873.db2.gz RMDDSOMUNNPVKG-ZIAGYGMSSA-N 1 0 357.410 2.959 20 5 FFBDRO Cc1ccc([C@@H](C)[NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])s1 ZINC000180941657 510197381 /nfs/dbraw/zinc/19/73/81/510197381.db2.gz ZQXZIBZIRFFXHJ-GFCCVEGCSA-N 1 0 369.468 2.594 20 5 FFBDRO COC(=O)CC1([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(C)C)CCOCC1 ZINC000269039859 510205122 /nfs/dbraw/zinc/20/51/22/510205122.db2.gz HIQCOPDRYCQXSQ-UHFFFAOYSA-N 1 0 366.414 2.584 20 5 FFBDRO COc1ccc(CN(C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1O ZINC000174625118 510213317 /nfs/dbraw/zinc/21/33/17/510213317.db2.gz CCWMZDJMQPFFCY-UHFFFAOYSA-N 1 0 370.365 2.991 20 5 FFBDRO COc1cc(C[NH2+][C@H]2CCO[C@]3(CCSC3)C2)c([N+](=O)[O-])cc1OC ZINC000269152072 510260475 /nfs/dbraw/zinc/26/04/75/510260475.db2.gz QEPZMJCLINMSTL-SUMWQHHRSA-N 1 0 368.455 2.756 20 5 FFBDRO CS(=O)(=O)C1CCC([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000181116178 510278818 /nfs/dbraw/zinc/27/88/18/510278818.db2.gz VGWZZZVYNDIFIJ-JCYILVPMSA-N 1 0 366.483 2.861 20 5 FFBDRO Cc1csc(Sc2ccc(C(=O)N[C@@H](C)C[NH3+])cc2[N+](=O)[O-])n1 ZINC000262472828 510292156 /nfs/dbraw/zinc/29/21/56/510292156.db2.gz OSVZKKIYOYQPQO-QMMMGPOBSA-N 1 0 352.441 2.588 20 5 FFBDRO Cc1ccc([C@@H]([NH3+])C(=O)NCCCNc2ccc(C)cc2[N+](=O)[O-])cc1 ZINC000262649044 510353062 /nfs/dbraw/zinc/35/30/62/510353062.db2.gz KTASMLMSJCIMRV-GOSISDBHSA-N 1 0 356.426 2.830 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2nnc(CN3CCC[C@H]3C[NH+]3CCCC3)o2)cc1 ZINC000171773391 510361150 /nfs/dbraw/zinc/36/11/50/510361150.db2.gz HKOJPYCCLSDFCW-INIZCTEOSA-N 1 0 357.414 2.705 20 5 FFBDRO Cc1ccc([C@H](C)[NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000178001274 510369918 /nfs/dbraw/zinc/36/99/18/510369918.db2.gz FGUVHWKSAMMNNG-AWEZNQCLSA-N 1 0 363.439 2.532 20 5 FFBDRO COc1cc(C(=O)Nc2ccc(C[NH+](C)C)cc2)cc([N+](=O)[O-])c1OC ZINC000266080894 510397564 /nfs/dbraw/zinc/39/75/64/510397564.db2.gz NLOZYOUQZOBYBY-UHFFFAOYSA-N 1 0 359.382 2.926 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H](c2ccccc2F)C2CCCC2)c1 ZINC000181500831 510440947 /nfs/dbraw/zinc/44/09/47/510440947.db2.gz SLALWZUOZXOZQK-MAUKXSAKSA-N 1 0 362.405 2.812 20 5 FFBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000194723275 510496206 /nfs/dbraw/zinc/49/62/06/510496206.db2.gz LUIVBYLMIYHAPD-GFCCVEGCSA-N 1 0 374.363 2.626 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CC[C@@H](C[NH+]3CCOCC3)C2)c(Br)c1 ZINC000266284560 510499095 /nfs/dbraw/zinc/49/90/95/510499095.db2.gz VEDFCHGKHDOPSS-LBPRGKRZSA-N 1 0 370.247 2.516 20 5 FFBDRO CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)C1 ZINC000175163543 510513441 /nfs/dbraw/zinc/51/34/41/510513441.db2.gz KJMJLFYWWZVOSO-HNNXBMFYSA-N 1 0 369.487 2.564 20 5 FFBDRO COc1cc(C(=O)NCCn2c(C)nc3ccccc32)cc([N+](=O)[O-])c1C ZINC000191157423 510526983 /nfs/dbraw/zinc/52/69/83/510526983.db2.gz CTMSEDZYICUKEE-UHFFFAOYSA-N 1 0 368.393 3.000 20 5 FFBDRO C[C@@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181664717 510528933 /nfs/dbraw/zinc/52/89/33/510528933.db2.gz WZQCCOGTNQAXCM-HUUCEWRRSA-N 1 0 361.442 2.743 20 5 FFBDRO COc1ccc(C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000181675377 510534779 /nfs/dbraw/zinc/53/47/79/510534779.db2.gz KRPPUPZSWBOKND-DZGCQCFKSA-N 1 0 361.442 2.986 20 5 FFBDRO C[C@@H](NC(=O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181680549 510537895 /nfs/dbraw/zinc/53/78/95/510537895.db2.gz MPPLLRGRYPPENR-HUUCEWRRSA-N 1 0 361.442 2.743 20 5 FFBDRO CCc1ccc([C@@H](COC)NCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000184862893 510552416 /nfs/dbraw/zinc/55/24/16/510552416.db2.gz OANQYKVSERYYER-MRXNPFEDSA-N 1 0 361.398 2.690 20 5 FFBDRO O=C([C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000246660039 510605977 /nfs/dbraw/zinc/60/59/77/510605977.db2.gz LPQIRGBJAVLFQC-KYNGSXCRSA-N 1 0 373.453 2.885 20 5 FFBDRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)C[C@@H]12 ZINC000185032621 510645155 /nfs/dbraw/zinc/64/51/55/510645155.db2.gz WJUIVRHRNYOMAC-MRVWCRGKSA-N 1 0 358.423 2.528 20 5 FFBDRO O=[N+]([O-])c1cnn(CCN2CCO[C@@H](c3cccc(C(F)(F)F)c3)C2)c1 ZINC000175451623 510653270 /nfs/dbraw/zinc/65/32/70/510653270.db2.gz OUDDXPIJKFUFSJ-OAHLLOKOSA-N 1 0 370.331 2.884 20 5 FFBDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000266555099 510655515 /nfs/dbraw/zinc/65/55/15/510655515.db2.gz PMTIQNYOSXJHSY-MRXNPFEDSA-N 1 0 356.426 2.907 20 5 FFBDRO O=C(NCCc1ccccc1[N+](=O)[O-])NCc1ccc(N2CCCC2)nc1 ZINC000266557631 510657677 /nfs/dbraw/zinc/65/76/77/510657677.db2.gz UUYFSIFZXJEYGJ-UHFFFAOYSA-N 1 0 369.425 2.632 20 5 FFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]Cc1cnc(N2CCOCC2)c(F)c1 ZINC000185074241 510669095 /nfs/dbraw/zinc/66/90/95/510669095.db2.gz BKISDVNWDHLPQZ-HWKANZROSA-N 1 0 372.400 2.769 20 5 FFBDRO Cc1nc2ccccc2n1C[C@H]1CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000270126149 510685864 /nfs/dbraw/zinc/68/58/64/510685864.db2.gz GJKQUNLTFUEBGZ-OAHLLOKOSA-N 1 0 354.414 2.614 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCS[C@H]2CCCC[C@@H]21 ZINC000181980077 510690227 /nfs/dbraw/zinc/69/02/27/510690227.db2.gz WRDMEHURAVYZBO-KMFMINBZSA-N 1 0 352.456 2.695 20 5 FFBDRO C[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1ccc(-n2ccnn2)cc1 ZINC000182040139 510725166 /nfs/dbraw/zinc/72/51/66/510725166.db2.gz DRNCNGCWECUCNS-AWEZNQCLSA-N 1 0 353.382 2.905 20 5 FFBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000175800147 510797444 /nfs/dbraw/zinc/79/74/44/510797444.db2.gz FCYVJAQVECUCBB-KRWDZBQOSA-N 1 0 360.458 2.701 20 5 FFBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000172583099 510803505 /nfs/dbraw/zinc/80/35/05/510803505.db2.gz NQIBBQVDGCGJLY-HNNXBMFYSA-N 1 0 360.458 2.872 20 5 FFBDRO CC([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)(c1ccccc1)c1ccccc1 ZINC000182215777 510817273 /nfs/dbraw/zinc/81/72/73/510817273.db2.gz KRCXOMTWUXDGAQ-LJQANCHMSA-N 1 0 366.421 2.706 20 5 FFBDRO Cc1cnc([C@@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C2CC2)s1 ZINC000185376866 510827350 /nfs/dbraw/zinc/82/73/50/510827350.db2.gz GMYRQJGZKBQUFD-CJNGLKHVSA-N 1 0 363.439 2.840 20 5 FFBDRO CCCN(C(=O)c1ccc([N+](=O)[O-])cc1Br)[C@@H]1CC[NH2+]C1 ZINC000178908696 510830221 /nfs/dbraw/zinc/83/02/21/510830221.db2.gz PIXRPKTUXMBUIQ-LLVKDONJSA-N 1 0 356.220 2.571 20 5 FFBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000247556971 510865518 /nfs/dbraw/zinc/86/55/18/510865518.db2.gz ZHGBDTOATHXULD-TZMCWYRMSA-N 1 0 369.849 2.816 20 5 FFBDRO Cc1nc2sccn2c(=O)c1CC[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285383130 510884688 /nfs/dbraw/zinc/88/46/88/510884688.db2.gz RUYHPWDOPLAVJU-UHFFFAOYSA-N 1 0 372.450 2.690 20 5 FFBDRO Cc1c(C(=O)NCCCCC[NH+]2CCCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000293959523 510911552 /nfs/dbraw/zinc/91/15/52/510911552.db2.gz POCARVRFNIOHTM-UHFFFAOYSA-N 1 0 364.402 2.807 20 5 FFBDRO COc1cc(C(=O)N(C)C2CC[NH+](C(C)C)CC2)c([N+](=O)[O-])cc1F ZINC000294290581 511015667 /nfs/dbraw/zinc/01/56/67/511015667.db2.gz FGFBSLJBPROGQN-UHFFFAOYSA-N 1 0 353.394 2.687 20 5 FFBDRO O=C(Nc1ccncc1[N+](=O)[O-])N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000279310997 511040170 /nfs/dbraw/zinc/04/01/70/511040170.db2.gz COGARVWQZAHKEJ-IYBDPMFKSA-N 1 0 367.409 2.586 20 5 FFBDRO CN(C)C(=O)C1(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCCC1 ZINC000331531323 511066765 /nfs/dbraw/zinc/06/67/65/511066765.db2.gz DWOVWXBYJDCVID-HUUCEWRRSA-N 1 0 363.462 2.513 20 5 FFBDRO COc1cc(C(=O)NCC2([NH+](C)C)CCCCC2)c([N+](=O)[O-])cc1F ZINC000294506567 511086839 /nfs/dbraw/zinc/08/68/39/511086839.db2.gz XMDWGMUNZSZMGF-UHFFFAOYSA-N 1 0 353.394 2.737 20 5 FFBDRO CCOC(=O)c1cnn(C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000294746333 511163931 /nfs/dbraw/zinc/16/39/31/511163931.db2.gz HTDYTCWTFVLEPS-UHFFFAOYSA-N 1 0 358.398 2.805 20 5 FFBDRO CCCC[N@H+](CC)Cc1cccc(CNC(=O)c2nn(C)cc2[N+](=O)[O-])c1 ZINC000271368984 511181040 /nfs/dbraw/zinc/18/10/40/511181040.db2.gz HMIANXRQXIXMGX-UHFFFAOYSA-N 1 0 373.457 2.880 20 5 FFBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000362390239 511185733 /nfs/dbraw/zinc/18/57/33/511185733.db2.gz UBMSUHNAWKJXIH-IAGOWNOFSA-N 1 0 372.469 2.554 20 5 FFBDRO COc1ccccc1[C@H](C)[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000279919328 511266755 /nfs/dbraw/zinc/26/67/55/511266755.db2.gz NDRCVLVPPQWFKQ-ZDUSSCGKSA-N 1 0 355.394 2.843 20 5 FFBDRO COc1cccc([C@@H](C)[NH2+]CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)c1 ZINC000271717240 511299774 /nfs/dbraw/zinc/29/97/74/511299774.db2.gz WDKOCFXYOZLMQA-LLVKDONJSA-N 1 0 373.365 2.621 20 5 FFBDRO COc1cccc(C2([NH2+]C[C@@H](O)COc3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000271741505 511307064 /nfs/dbraw/zinc/30/70/64/511307064.db2.gz VZRYLVYRAZDXMF-MRXNPFEDSA-N 1 0 358.394 2.622 20 5 FFBDRO Cn1nccc1[C@@H]1CCC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000363095641 511351014 /nfs/dbraw/zinc/35/10/14/511351014.db2.gz MHBNXFXIJFTHIW-CQSZACIVSA-N 1 0 368.397 2.758 20 5 FFBDRO CCC[C@]1(CO)CCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000298664899 511367754 /nfs/dbraw/zinc/36/77/54/511367754.db2.gz YFRMRTOVOMMHSS-GOSISDBHSA-N 1 0 365.430 2.559 20 5 FFBDRO CC1(C)CN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H]1c1cccnc1 ZINC000291945520 511401508 /nfs/dbraw/zinc/40/15/08/511401508.db2.gz PYUVLBSXAIHDND-FUHWJXTLSA-N 1 0 357.410 2.813 20 5 FFBDRO CN(C)C(=O)O[C@H]1CCCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000295444964 511407831 /nfs/dbraw/zinc/40/78/31/511407831.db2.gz DTWNROIRFMJISQ-INIZCTEOSA-N 1 0 374.397 2.912 20 5 FFBDRO COc1ccc(CNC(=O)Nc2cccc(C[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000298843334 511427776 /nfs/dbraw/zinc/42/77/76/511427776.db2.gz HWQQTYVXSPWASE-UHFFFAOYSA-N 1 0 358.398 2.987 20 5 FFBDRO O=C(NC1CC([NH+]2CCCCC2)C1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000365440516 511451838 /nfs/dbraw/zinc/45/18/38/511451838.db2.gz VAVYZCXTZMANAR-UHFFFAOYSA-N 1 0 354.410 2.890 20 5 FFBDRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000298955849 511464421 /nfs/dbraw/zinc/46/44/21/511464421.db2.gz DJQYANWVLOXZCX-FUHWJXTLSA-N 1 0 358.442 2.552 20 5 FFBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)CCOc3ccc(Cl)cc3[N+](=O)[O-])C2)C1 ZINC000292181445 511497048 /nfs/dbraw/zinc/49/70/48/511497048.db2.gz KQRPESGLXXOXHT-KRWDZBQOSA-N 1 0 367.833 2.571 20 5 FFBDRO COc1cc(C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)c([N+](=O)[O-])cc1F ZINC000295743579 511502358 /nfs/dbraw/zinc/50/23/58/511502358.db2.gz GLWIFTXWJWFARA-ZDUSSCGKSA-N 1 0 365.405 2.833 20 5 FFBDRO C[C@@H]1CN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC[N@@H+](C2CCC2)C1 ZINC000292235933 511516627 /nfs/dbraw/zinc/51/66/27/511516627.db2.gz CSLLFSXZPMMONB-AWEZNQCLSA-N 1 0 370.453 2.951 20 5 FFBDRO CC[C@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CC1 ZINC000295945840 511564332 /nfs/dbraw/zinc/56/43/32/511564332.db2.gz IFNISOMDLSQWSZ-HNNXBMFYSA-N 1 0 360.458 2.751 20 5 FFBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000299262174 511570970 /nfs/dbraw/zinc/57/09/70/511570970.db2.gz SEWIPIYUXZFPGB-UHFFFAOYSA-N 1 0 373.457 2.646 20 5 FFBDRO Cc1c(NC(=O)NC[C@@H](C)[NH+](C)C)cc(Br)cc1[N+](=O)[O-] ZINC000280835267 511621944 /nfs/dbraw/zinc/62/19/44/511621944.db2.gz VQTZVCIMSUSOAH-MRVPVSSYSA-N 1 0 359.224 2.737 20 5 FFBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000273846510 511629937 /nfs/dbraw/zinc/62/99/37/511629937.db2.gz GTYXDUFQMOSIBD-CXAGYDPISA-N 1 0 363.433 2.954 20 5 FFBDRO CC[NH+](CC)CCOc1ccc(NC(=O)c2n[nH]c(C)c2[N+](=O)[O-])cc1 ZINC000299443647 511638366 /nfs/dbraw/zinc/63/83/66/511638366.db2.gz MEUOEEZUXRVMHP-UHFFFAOYSA-N 1 0 361.402 2.599 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000280979200 511676463 /nfs/dbraw/zinc/67/64/63/511676463.db2.gz NFHVDZLSAWVJMV-UHFFFAOYSA-N 1 0 370.409 2.853 20 5 FFBDRO C[C@@H]([NH2+]Cc1ccc(N2CCO[C@@H](C)C2)nc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284309313 511677894 /nfs/dbraw/zinc/67/78/94/511677894.db2.gz ZEAWIVLCHLQEQF-UONOGXRCSA-N 1 0 371.441 2.648 20 5 FFBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)C[C@@H]21 ZINC000363682864 511701324 /nfs/dbraw/zinc/70/13/24/511701324.db2.gz XTOSKZHBBXKXTJ-VHDGCEQUSA-N 1 0 372.450 2.918 20 5 FFBDRO C[NH+]1CCC(Oc2ccc(CNC(=O)c3ccccc3[N+](=O)[O-])cc2)CC1 ZINC000284400231 511710157 /nfs/dbraw/zinc/71/01/57/511710157.db2.gz HFQUJOOOVOXLIR-UHFFFAOYSA-N 1 0 369.421 2.998 20 5 FFBDRO C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365888373 511711591 /nfs/dbraw/zinc/71/15/91/511711591.db2.gz WYPQNXQJYVNCLC-RBSFLKMASA-N 1 0 363.462 2.606 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(Cc2noc(-c3ccc4c[nH+]cn4c3)n2)c1 ZINC000350276849 511763342 /nfs/dbraw/zinc/76/33/42/511763342.db2.gz UZPUUOYDTYYBFT-UHFFFAOYSA-N 1 0 351.322 2.892 20 5 FFBDRO O=[N+]([O-])c1ccc(C[NH2+]CCn2cc(Br)cn2)c(Cl)c1 ZINC000312840078 511787682 /nfs/dbraw/zinc/78/76/82/511787682.db2.gz NKWOHAQUKFLJSM-UHFFFAOYSA-N 1 0 359.611 2.997 20 5 FFBDRO COC[C@H]1CCCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000363829654 511793362 /nfs/dbraw/zinc/79/33/62/511793362.db2.gz WRYMKIACDNJEHK-KBPBESRZSA-N 1 0 365.430 2.679 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCC(n3ccnc3)CC2)c1 ZINC000281317203 511802108 /nfs/dbraw/zinc/80/21/08/511802108.db2.gz SLMZSJNXNXPQCP-UHFFFAOYSA-N 1 0 358.398 2.732 20 5 FFBDRO O=[N+]([O-])c1cnc(N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)nc1 ZINC000363900085 511838960 /nfs/dbraw/zinc/83/89/60/511838960.db2.gz VVDWKXZJJBKCLN-UHFFFAOYSA-N 1 0 353.426 2.877 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(Cc2noc([C@@H]3CCn4cncc4C3)n2)c1 ZINC000350903321 511903418 /nfs/dbraw/zinc/90/34/18/511903418.db2.gz IVYXVYTYDIHJDP-LLVKDONJSA-N 1 0 355.354 2.504 20 5 FFBDRO Cc1c(NC(=O)[C@H](C)N2CC[N@@H+](C3CC3)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000296801123 511903686 /nfs/dbraw/zinc/90/36/86/511903686.db2.gz UECRVMFMPWIILU-HIFRSBDPSA-N 1 0 360.458 2.646 20 5 FFBDRO CC(C)c1n[nH]c(C(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000274699458 511913359 /nfs/dbraw/zinc/91/33/59/511913359.db2.gz NFYMDEHIAMSEQR-WBMJQRKESA-N 1 0 359.430 2.863 20 5 FFBDRO Cc1c([C@H](C)[NH2+]Cc2cccc(N3CCOCC3)n2)cccc1[N+](=O)[O-] ZINC000274821747 511953731 /nfs/dbraw/zinc/95/37/31/511953731.db2.gz YKVWKSVGUSKTJS-HNNXBMFYSA-N 1 0 356.426 2.986 20 5 FFBDRO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@@H+](CCCCCCO)CC3)nc2c1 ZINC000274825850 511954166 /nfs/dbraw/zinc/95/41/66/511954166.db2.gz KVKLODNQUWFIFY-UHFFFAOYSA-N 1 0 361.446 2.536 20 5 FFBDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)NCc3cc([N+](=O)[O-])ccc3Cl)C2)C1 ZINC000297071338 512008286 /nfs/dbraw/zinc/00/82/86/512008286.db2.gz AGPKMHIWWSEWIO-QGZVFWFLSA-N 1 0 366.849 2.876 20 5 FFBDRO COc1cc(C[NH2+][C@H]2CCC[C@H]2CCO)c([N+](=O)[O-])cc1OC(F)F ZINC000275056919 512028462 /nfs/dbraw/zinc/02/84/62/512028462.db2.gz NPACDYJRTGJYSE-JQWIXIFHSA-N 1 0 360.357 2.846 20 5 FFBDRO Cc1c(-c2cc(C[N@H+](C)CCc3ccccc3[N+](=O)[O-])on2)cnn1C ZINC000285213612 512040297 /nfs/dbraw/zinc/04/02/97/512040297.db2.gz DUKLLGTULAFLOZ-UHFFFAOYSA-N 1 0 355.398 2.966 20 5 FFBDRO Cc1ccc(C(=O)N2CC[C@H](c3ccc(F)cc3)[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000297183267 512051217 /nfs/dbraw/zinc/05/12/17/512051217.db2.gz LHAKADWFEHPMNI-IAGOWNOFSA-N 1 0 357.385 2.999 20 5 FFBDRO C[NH+]1CCC2(CCCN2C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000367351403 512457443 /nfs/dbraw/zinc/45/74/43/512457443.db2.gz IPZMENUZMKLCAR-UHFFFAOYSA-N 1 0 360.458 2.874 20 5 FFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]Cc1cnc2n1CCCC2 ZINC000367438333 512498788 /nfs/dbraw/zinc/49/87/88/512498788.db2.gz MHZDLQRVVPPGRX-ZDUSSCGKSA-N 1 0 357.414 2.635 20 5 FFBDRO Cc1c(NC(=O)[C@H](C)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000375784134 512505534 /nfs/dbraw/zinc/50/55/34/512505534.db2.gz GTNLCDAHAVPPOF-KBMXLJTQSA-N 1 0 360.458 2.789 20 5 FFBDRO O=C(CC[N@@H+]1CCc2ccccc2[C@@H]1CO)Nc1ccc([N+](=O)[O-])cc1 ZINC000411391526 512613208 /nfs/dbraw/zinc/61/32/08/512613208.db2.gz ORTXCJANUKAHGQ-SFHVURJKSA-N 1 0 355.394 2.515 20 5 FFBDRO C[C@@H]1C[C@@]2(CCO1)C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C[C@H](C)O2 ZINC000374028780 512630498 /nfs/dbraw/zinc/63/04/98/512630498.db2.gz STDQRVLSKWVZOQ-VKJFTORMSA-N 1 0 350.415 2.632 20 5 FFBDRO C[C@@H]1CN(c2c(Cl)cccc2[N+](=O)[O-])CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000367927328 512726848 /nfs/dbraw/zinc/72/68/48/512726848.db2.gz PRDDMGXSZZHIPW-HIFRSBDPSA-N 1 0 352.866 2.710 20 5 FFBDRO C[C@@H]1CN(c2ccc(Cl)cc2[N+](=O)[O-])CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000374309526 512757443 /nfs/dbraw/zinc/75/74/43/512757443.db2.gz JQLZBCJNCFIRSO-HIFRSBDPSA-N 1 0 352.866 2.710 20 5 FFBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000376567790 512877758 /nfs/dbraw/zinc/87/77/58/512877758.db2.gz AHFZDWCUEVOEAQ-WFASDCNBSA-N 1 0 353.369 2.772 20 5 FFBDRO C[C@H]1CN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000411981811 512900667 /nfs/dbraw/zinc/90/06/67/512900667.db2.gz JDDKRISUDJXDSQ-INIZCTEOSA-N 1 0 368.437 2.740 20 5 FFBDRO C[C@H](C(=O)Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000411996278 512906881 /nfs/dbraw/zinc/90/68/81/512906881.db2.gz GEQJXDHFJOITQK-GRYCIOLGSA-N 1 0 358.402 2.580 20 5 FFBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)C[C@H]21 ZINC000374625359 512924765 /nfs/dbraw/zinc/92/47/65/512924765.db2.gz SSHGHRKQBQAXRO-BPLDGKMQSA-N 1 0 372.450 2.918 20 5 FFBDRO C[N@H+]1CC=C(CNc2ccc(I)cc2[N+](=O)[O-])CC1 ZINC000392912092 512929400 /nfs/dbraw/zinc/92/94/00/512929400.db2.gz ZGWSDAKXSIBOLT-UHFFFAOYSA-N 1 0 373.194 2.873 20 5 FFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000398001237 512951418 /nfs/dbraw/zinc/95/14/18/512951418.db2.gz NNIBHMPPZRTSJT-PBHICJAKSA-N 1 0 368.437 2.817 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)c1F ZINC000412143287 512976115 /nfs/dbraw/zinc/97/61/15/512976115.db2.gz IQYINYLEOBGSEW-CYBMUJFWSA-N 1 0 367.421 2.618 20 5 FFBDRO CC(C)Oc1cc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000412192647 512992642 /nfs/dbraw/zinc/99/26/42/512992642.db2.gz KMIKDVQIROZJOE-JKSUJKDBSA-N 1 0 361.442 2.938 20 5 FFBDRO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000370588032 513006238 /nfs/dbraw/zinc/00/62/38/513006238.db2.gz KCAXEJVISHCLRE-QAPCUYQASA-N 1 0 352.394 2.746 20 5 FFBDRO C[C@@H](CNC(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1)[NH+](C)C ZINC000412381952 513060082 /nfs/dbraw/zinc/06/00/82/513060082.db2.gz AXWRYJNSGIOINR-ZNMIVQPWSA-N 1 0 362.474 2.757 20 5 FFBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1)[NH+](C)C ZINC000412393775 513062828 /nfs/dbraw/zinc/06/28/28/513062828.db2.gz KHZNJGVIKROBLC-AWEZNQCLSA-N 1 0 356.426 2.887 20 5 FFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000370750009 513083412 /nfs/dbraw/zinc/08/34/12/513083412.db2.gz OBCKNDHTXDWLJM-ZDUSSCGKSA-N 1 0 368.821 2.623 20 5 FFBDRO CC(C)c1n[nH]c(C(=O)NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000433695932 513129835 /nfs/dbraw/zinc/12/98/35/513129835.db2.gz ZQABFBNXWURVLL-CYBMUJFWSA-N 1 0 371.441 2.618 20 5 FFBDRO COc1ccc(CSCC(=O)N(CC[NH+](C)C)C(C)C)cc1[N+](=O)[O-] ZINC000439627258 513153644 /nfs/dbraw/zinc/15/36/44/513153644.db2.gz UOQDHSDCGXPTIR-UHFFFAOYSA-N 1 0 369.487 2.635 20 5 FFBDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000439693476 513165530 /nfs/dbraw/zinc/16/55/30/513165530.db2.gz SUACFPDALWBNGS-CYBMUJFWSA-N 1 0 351.451 2.682 20 5 FFBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000446042821 513170292 /nfs/dbraw/zinc/17/02/92/513170292.db2.gz PWVUXESYEGILHQ-UHFFFAOYSA-N 1 0 369.849 2.739 20 5 FFBDRO C[NH2+]CCC1CCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000417713106 513176317 /nfs/dbraw/zinc/17/63/17/513176317.db2.gz GRTWWHJVGVPOGV-UHFFFAOYSA-N 1 0 362.474 2.949 20 5 FFBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000417726622 513181106 /nfs/dbraw/zinc/18/11/06/513181106.db2.gz MTBKROYHENYGCQ-ZWKOTPCHSA-N 1 0 374.485 2.949 20 5 FFBDRO COC(=O)[C@]1(c2ccccc2)CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000428820954 513201875 /nfs/dbraw/zinc/20/18/75/513201875.db2.gz VVDNTLSKZZOEHF-HXUWFJFHSA-N 1 0 370.405 2.920 20 5 FFBDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@@H](C)C1 ZINC000429012732 513253492 /nfs/dbraw/zinc/25/34/92/513253492.db2.gz VBJJGKZGCYJVBE-KEYYUXOJSA-N 1 0 371.441 2.807 20 5 FFBDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@@H](C)C1 ZINC000429017069 513255705 /nfs/dbraw/zinc/25/57/05/513255705.db2.gz DSFCSUUIWBDWTF-GLJUWKHASA-N 1 0 361.442 2.623 20 5 FFBDRO COc1ccc(NC(=O)NC[C@H]2[NH2+]CCc3ccccc32)cc1[N+](=O)[O-] ZINC000415436947 513260736 /nfs/dbraw/zinc/26/07/36/513260736.db2.gz JZJOPKIOGSSMKA-OAHLLOKOSA-N 1 0 356.382 2.612 20 5 FFBDRO COc1cc[nH+]c(N2CCN(C(=O)c3cc([N+](=O)[O-])c(C)cc3C)CC2)c1 ZINC000421466558 513275019 /nfs/dbraw/zinc/27/50/19/513275019.db2.gz GQMZZMQEYBIZEU-UHFFFAOYSA-N 1 0 370.409 2.578 20 5 FFBDRO Cc1ccc(S(=O)(=O)N2CCCc3cc(C[NH3+])ccc32)cc1[N+](=O)[O-] ZINC000440407205 513314780 /nfs/dbraw/zinc/31/47/80/513314780.db2.gz IHSRTSODGHPQMQ-UHFFFAOYSA-N 1 0 361.423 2.503 20 5 FFBDRO CC(C)([NH2+]C[C@H](O)COc1ccc2c(c1)OCO2)c1ccccc1[N+](=O)[O-] ZINC000429278715 513324574 /nfs/dbraw/zinc/32/45/74/513324574.db2.gz YYDVZRVFPNIZAF-ZDUSSCGKSA-N 1 0 374.393 2.588 20 5 FFBDRO CCC1(CC)[C@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@@H](C)[C@@H]1OC ZINC000429318995 513338016 /nfs/dbraw/zinc/33/80/16/513338016.db2.gz PSEIYUOMBSTKGF-NONVJHHQSA-N 1 0 366.458 2.764 20 5 FFBDRO C[N@@H+]1CC[C@@H]2CN(c3ccc([N+](=O)[O-])c(OCc4ccccc4)n3)C[C@@H]21 ZINC000450782523 513338969 /nfs/dbraw/zinc/33/89/69/513338969.db2.gz XXQUMHGPBFMWCU-WBVHZDCISA-N 1 0 354.410 2.709 20 5 FFBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425002096 513363166 /nfs/dbraw/zinc/36/31/66/513363166.db2.gz FPBOKUPDEZHOFZ-AZUAARDMSA-N 1 0 365.433 2.870 20 5 FFBDRO Cc1c(NC(=O)N[C@H](C)CCC[NH3+])cc(Br)cc1[N+](=O)[O-] ZINC000415653237 513364575 /nfs/dbraw/zinc/36/45/75/513364575.db2.gz IAYOMWDVELOCQX-MRVPVSSYSA-N 1 0 359.224 2.915 20 5 FFBDRO C[C@@H]1CN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[C@H](C)C[NH2+]1 ZINC000418085800 513366982 /nfs/dbraw/zinc/36/69/82/513366982.db2.gz AXVBDGYVTBWFCZ-NXEZZACHSA-N 1 0 360.336 2.505 20 5 FFBDRO C[C@@H]1CCN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[C@H](C[NH3+])C1 ZINC000418086179 513367470 /nfs/dbraw/zinc/36/74/70/513367470.db2.gz CEEXEGMQIPZWLD-YGRLFVJLSA-N 1 0 374.363 2.882 20 5 FFBDRO CC(C)[C@@H](c1ccc(F)cc1)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000434622515 513370697 /nfs/dbraw/zinc/37/06/97/513370697.db2.gz FLGCVAHFCWFMNS-SJORKVTESA-N 1 0 350.394 2.620 20 5 FFBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000421706464 513377973 /nfs/dbraw/zinc/37/79/73/513377973.db2.gz VAFCEZVPIHTTNZ-ZDUSSCGKSA-N 1 0 355.822 2.570 20 5 FFBDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000415692559 513382972 /nfs/dbraw/zinc/38/29/72/513382972.db2.gz HFXMFFRQFWQTHX-NXEZZACHSA-N 1 0 371.235 2.948 20 5 FFBDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000415702248 513390121 /nfs/dbraw/zinc/39/01/21/513390121.db2.gz PMCBVUTVMLWIPU-RKDXNWHRSA-N 1 0 357.208 2.558 20 5 FFBDRO CCOc1cc(C[N@H+](C)CCN2CCOC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000434697013 513395461 /nfs/dbraw/zinc/39/54/61/513395461.db2.gz KLBSTWUOKUTIOQ-UHFFFAOYSA-N 1 0 351.447 2.536 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N(C)CC(C)(C)C[NH3+])cc2[N+](=O)[O-])C1 ZINC000429516746 513396447 /nfs/dbraw/zinc/39/64/47/513396447.db2.gz FDFYJSVQSUHQEI-CQSZACIVSA-N 1 0 362.474 2.888 20 5 FFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000415760147 513413133 /nfs/dbraw/zinc/41/31/33/513413133.db2.gz JYDNAVKWUCRJFU-WBVHZDCISA-N 1 0 362.430 2.517 20 5 FFBDRO CC[NH+]1CCN(Cc2ccc(CNc3ncc([N+](=O)[O-])cc3F)cc2)CC1 ZINC000413057953 513414027 /nfs/dbraw/zinc/41/40/27/513414027.db2.gz HHHNJMIMXHFFQX-UHFFFAOYSA-N 1 0 373.432 2.879 20 5 FFBDRO CC[NH2+]Cc1cccc(NC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000415912054 513475304 /nfs/dbraw/zinc/47/53/04/513475304.db2.gz GDYMMZBRSGHVAM-UHFFFAOYSA-N 1 0 370.409 2.999 20 5 FFBDRO C[NH+](C)[C@@]1(CNc2ncc([N+](=O)[O-])cc2C(F)(F)F)CCSC1 ZINC000413166138 513494112 /nfs/dbraw/zinc/49/41/12/513494112.db2.gz GCSQEHJZBYAZCN-GFCCVEGCSA-N 1 0 350.366 2.858 20 5 FFBDRO C[C@H](NC(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2)c1ccc([N+](=O)[O-])cc1 ZINC000415959268 513500239 /nfs/dbraw/zinc/50/02/39/513500239.db2.gz MPKSVMXGHKUEAZ-SMDDNHRTSA-N 1 0 355.398 2.689 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCOc2ncccc2Cl)n1 ZINC000447584605 513514584 /nfs/dbraw/zinc/51/45/84/513514584.db2.gz GPVYXEXVQZDLRS-ZIAGYGMSSA-N 1 0 365.821 2.992 20 5 FFBDRO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)[C@@]12CCCO2 ZINC000447594342 513517312 /nfs/dbraw/zinc/51/73/12/513517312.db2.gz YGSWCOYNOCTGHP-QFXBJFAPSA-N 1 0 364.446 2.591 20 5 FFBDRO C[C@H]([NH2+]CC(=O)Nc1cc(C(C)(C)C)nn1C)c1ccc([N+](=O)[O-])cc1 ZINC000451101053 513521944 /nfs/dbraw/zinc/52/19/44/513521944.db2.gz APACPUGYALAWSE-LBPRGKRZSA-N 1 0 359.430 2.915 20 5 FFBDRO CS[C@H]1CN(Cc2ccc(Br)cc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000425426812 513559661 /nfs/dbraw/zinc/55/96/61/513559661.db2.gz WUVULMZUNHEEQW-KBPBESRZSA-N 1 0 374.304 2.835 20 5 FFBDRO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(c2ccc([N+](=O)[O-])c3ncccc23)C1 ZINC000413277966 513565082 /nfs/dbraw/zinc/56/50/82/513565082.db2.gz GYFIQXOGQNOPPK-GJZGRUSLSA-N 1 0 356.426 2.833 20 5 FFBDRO COc1cc(CN2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000430142820 513566678 /nfs/dbraw/zinc/56/66/78/513566678.db2.gz AORRNRMGNXXOHQ-SQWLQELKSA-N 1 0 363.458 2.774 20 5 FFBDRO Cn1cc(CN(CC[NH3+])Cc2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000435372379 513567451 /nfs/dbraw/zinc/56/74/51/513567451.db2.gz AIEMDYUEARXDBT-UHFFFAOYSA-N 1 0 365.437 2.956 20 5 FFBDRO CC[NH+](CC)[C@H](C)CNc1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000447801802 513574091 /nfs/dbraw/zinc/57/40/91/513574091.db2.gz DXLIEDBEGIXTFT-OAHLLOKOSA-N 1 0 350.463 2.569 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC000430229817 513593737 /nfs/dbraw/zinc/59/37/37/513593737.db2.gz UIZFVPUEJXUVCL-AWEZNQCLSA-N 1 0 363.458 2.976 20 5 FFBDRO COc1cccc(C(=O)Nc2cccc(OCC[NH+](C)C)c2)c1[N+](=O)[O-] ZINC000435546721 513615473 /nfs/dbraw/zinc/61/54/73/513615473.db2.gz WEXLBQUJJHNSEJ-UHFFFAOYSA-N 1 0 359.382 2.796 20 5 FFBDRO Cc1ncsc1CN(C[C@H]1CC[NH2+]C1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000435598296 513630272 /nfs/dbraw/zinc/63/02/72/513630272.db2.gz QIYHOPHVUKFOLE-ZDUSSCGKSA-N 1 0 360.439 2.612 20 5 FFBDRO Cc1ncsc1CN(C[C@@H]1CC[NH2+]C1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000435604098 513633205 /nfs/dbraw/zinc/63/32/05/513633205.db2.gz NEQUHAZJZIJTCQ-CQSZACIVSA-N 1 0 374.466 2.541 20 5 FFBDRO C[NH+](C)[C@H](CC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1ccccc1 ZINC000416228598 513659982 /nfs/dbraw/zinc/65/99/82/513659982.db2.gz YSPMYMNHBONRBL-QGZVFWFLSA-N 1 0 371.441 2.648 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000442093150 513665849 /nfs/dbraw/zinc/66/58/49/513665849.db2.gz GZTSQHUJQJBKFJ-UMVBOHGHSA-N 1 0 369.487 2.548 20 5 FFBDRO Cc1cc(OCC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000430677962 513719869 /nfs/dbraw/zinc/71/98/69/513719869.db2.gz RLSYRZPWNJJEJZ-MRXNPFEDSA-N 1 0 351.447 2.765 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCC[C@@H]3[C@H]3CCC[C@H]3O)n2)cc1 ZINC000451426682 513743608 /nfs/dbraw/zinc/74/36/08/513743608.db2.gz VWTLGOUEYAYGRX-BZUAXINKSA-N 1 0 358.398 2.770 20 5 FFBDRO COc1ccc(OCC[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)c([N+](=O)[O-])c1 ZINC000451429463 513745740 /nfs/dbraw/zinc/74/57/40/513745740.db2.gz XJFUIENKAIMNBX-INMHGKMJSA-N 1 0 350.415 2.608 20 5 FFBDRO CC1(C)[C@H]([NH2+]Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@@H]2CCCO[C@H]21 ZINC000451477800 513774347 /nfs/dbraw/zinc/77/43/47/513774347.db2.gz IWMCWCUFFJZBNI-NUEKZKHPSA-N 1 0 358.398 2.938 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCSC[C@@H]1C1CCC1 ZINC000419375386 513791349 /nfs/dbraw/zinc/79/13/49/513791349.db2.gz QLKWRPRVJPFHIR-GOEBONIOSA-N 1 0 352.456 2.552 20 5 FFBDRO Cc1cc(S(=O)(=O)NC(C)(C)CCC[NH+](C)C)c(C)cc1[N+](=O)[O-] ZINC000416493669 513801630 /nfs/dbraw/zinc/80/16/30/513801630.db2.gz HZDUVEUZLVBJBS-UHFFFAOYSA-N 1 0 357.476 2.610 20 5 FFBDRO CCO[C@H]1CC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C[C@H]1C ZINC000451522735 513805932 /nfs/dbraw/zinc/80/59/32/513805932.db2.gz BRHLXPCNNKXSNP-CJNGLKHVSA-N 1 0 363.414 2.640 20 5 FFBDRO COc1cc(C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)c([N+](=O)[O-])cc1F ZINC000448697673 513851428 /nfs/dbraw/zinc/85/14/28/513851428.db2.gz MSJVXWCPLISUNL-MRXNPFEDSA-N 1 0 367.421 2.983 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H](C(C)C)[C@@H](CO)C(C)C ZINC000451595807 513856904 /nfs/dbraw/zinc/85/69/04/513856904.db2.gz KWGKPEXQNPDGLO-MAUKXSAKSA-N 1 0 351.447 2.720 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CC[C@@H]4C[C@H](O)CC[C@H]4C3)n2)cc1 ZINC000451693429 513915728 /nfs/dbraw/zinc/91/57/28/513915728.db2.gz IDGSTGGVZILEOE-IJEWVQPXSA-N 1 0 358.398 2.628 20 5 FFBDRO O=C(N[C@@H](C1CC1)C(F)(F)F)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000451787642 513980524 /nfs/dbraw/zinc/98/05/24/513980524.db2.gz NAFMUEAHUMDZHD-ZDUSSCGKSA-N 1 0 354.288 2.851 20 5 FFBDRO CCc1ccccc1[C@H]([NH3+])CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000420289556 514075290 /nfs/dbraw/zinc/07/52/90/514075290.db2.gz ZNERNWUEGHKWQC-GFCCVEGCSA-N 1 0 369.468 2.734 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](O)COc1ccc(F)c(F)c1 ZINC000449132350 514085924 /nfs/dbraw/zinc/08/59/24/514085924.db2.gz UGAFBGUCDFWOMG-GXTWGEPZSA-N 1 0 366.364 2.834 20 5 FFBDRO C[NH+](C)C1CN(C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])C1 ZINC000426992158 514087318 /nfs/dbraw/zinc/08/73/18/514087318.db2.gz TYHRMDMUSZCASU-UHFFFAOYSA-N 1 0 355.394 2.560 20 5 FFBDRO COc1cc(CN2CC[C@H](C)C[C@H]2C[NH3+])c([N+](=O)[O-])cc1OC(F)F ZINC000420343826 514102596 /nfs/dbraw/zinc/10/25/96/514102596.db2.gz RSOUCRSPGAIULM-JQWIXIFHSA-N 1 0 359.373 2.764 20 5 FFBDRO O=C(CN1CCC([C@H]2CCC[NH2+]2)CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000420343733 514103133 /nfs/dbraw/zinc/10/31/33/514103133.db2.gz RDDOXRJUIXZWOC-CQSZACIVSA-N 1 0 366.849 2.651 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[NH2+]C[C@H]1c1ccccc1 ZINC000420402708 514133222 /nfs/dbraw/zinc/13/32/22/514133222.db2.gz KIJKCQICEXVFCG-IBGZPJMESA-N 1 0 368.437 2.878 20 5 FFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])NC[C@@]1(COC)CCC[NH2+]1 ZINC000423414894 514135119 /nfs/dbraw/zinc/13/51/19/514135119.db2.gz OAYHSWUDDAIEEJ-RHSMWYFYSA-N 1 0 353.488 2.824 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[NH2+]C[C@H]1c1ccccc1 ZINC000420412568 514138314 /nfs/dbraw/zinc/13/83/14/514138314.db2.gz SHULKTHUMFXWQE-IBGZPJMESA-N 1 0 368.437 2.878 20 5 FFBDRO C[C@H]1CN(c2ccnc3c2cccc3[N+](=O)[O-])CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000432329418 514162191 /nfs/dbraw/zinc/16/21/91/514162191.db2.gz PKWUHMNGNVGIBU-RDJZCZTQSA-N 1 0 369.469 2.605 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@H](CO)[C@@H]3CCCOC3)cs2)c1 ZINC000414546121 514173025 /nfs/dbraw/zinc/17/30/25/514173025.db2.gz GIFJIDUMLZIYFE-CZUORRHYSA-N 1 0 363.439 2.595 20 5 FFBDRO O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCC[C@H]1CCC[NH2+]1 ZINC000444267041 514174292 /nfs/dbraw/zinc/17/42/92/514174292.db2.gz FQRUDBZVGAEZNA-GFCCVEGCSA-N 1 0 374.363 2.674 20 5 FFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC1(CS(C)(=O)=O)CCC1 ZINC000414559542 514180457 /nfs/dbraw/zinc/18/04/57/514180457.db2.gz UWYHPEUQYTUBFF-NTEUORMPSA-N 1 0 352.456 2.803 20 5 FFBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000423636941 514190722 /nfs/dbraw/zinc/19/07/22/514190722.db2.gz QQLXYLKEVUSLTE-FTGAXOIBSA-N 1 0 357.863 2.843 20 5 FFBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCCN(CCCO)C1 ZINC000449399197 514197986 /nfs/dbraw/zinc/19/79/86/514197986.db2.gz YKOWIARNXXZMSR-QXAKKESOSA-N 1 0 361.486 2.742 20 5 FFBDRO CC[NH+]1CCC(N2CCCN(c3nc(C)cc(C)c3[N+](=O)[O-])CC2)CC1 ZINC000420629142 514206770 /nfs/dbraw/zinc/20/67/70/514206770.db2.gz QSYQQTADAVEQGV-UHFFFAOYSA-N 1 0 361.490 2.603 20 5 FFBDRO CCc1n[nH]c(C(=O)NC(C)(C)CC[NH+]2CCCCCC2)c1[N+](=O)[O-] ZINC000444375114 514214377 /nfs/dbraw/zinc/21/43/77/514214377.db2.gz ZIJVEUINQWUWMQ-UHFFFAOYSA-N 1 0 351.451 2.655 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N[C@@H]3CC[NH2+]C[C@H]3C)cc2[N+](=O)[O-])C1 ZINC000432515635 514215279 /nfs/dbraw/zinc/21/52/79/514215279.db2.gz UAOVDOKHNZJNSW-IIAWOOMASA-N 1 0 360.458 2.559 20 5 FFBDRO [NH3+]CC[C@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])C(F)(F)F ZINC000423746888 514217810 /nfs/dbraw/zinc/21/78/10/514217810.db2.gz PWYRWXRAIUBAQW-JTQLQIEISA-N 1 0 371.768 2.736 20 5 FFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]([C@H](CO)C1CC1)C1CC1 ZINC000449503549 514232277 /nfs/dbraw/zinc/23/22/77/514232277.db2.gz IFGRFAQTPDCFMB-QHLBDZCJSA-N 1 0 361.442 2.699 20 5 FFBDRO Cn1nccc1[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000449596763 514266427 /nfs/dbraw/zinc/26/64/27/514266427.db2.gz YEYLRBIJEXTFMI-LRDDRELGSA-N 1 0 350.806 2.992 20 5 FFBDRO CCOc1cc(NC(=O)N[C@](C)(C[NH3+])C2CC2)c([N+](=O)[O-])cc1OCC ZINC000414760763 514277901 /nfs/dbraw/zinc/27/79/01/514277901.db2.gz RHGNIIYWLZYHCM-QGZVFWFLSA-N 1 0 366.418 2.641 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)cc1SC ZINC000449642201 514278078 /nfs/dbraw/zinc/27/80/78/514278078.db2.gz FWGWHWLHUSWUGZ-GHMZBOCLSA-N 1 0 353.444 2.573 20 5 FFBDRO CCOc1cc(NC(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)c([N+](=O)[O-])cc1OCC ZINC000414762081 514279079 /nfs/dbraw/zinc/27/90/79/514279079.db2.gz VJOFBRKLSAIJDT-NEPJUHHUSA-N 1 0 366.418 2.606 20 5 FFBDRO CN(C)c1cc(NCc2csc([N+](=O)[O-])c2)[nH+]cc1Br ZINC000449651289 514282471 /nfs/dbraw/zinc/28/24/71/514282471.db2.gz VQYRVUMDRJFLCU-UHFFFAOYSA-N 1 0 357.233 2.914 20 5 FFBDRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000423969524 514314301 /nfs/dbraw/zinc/31/43/01/514314301.db2.gz FABXTVQQJPLDFG-INIZCTEOSA-N 1 0 357.410 2.742 20 5 FFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1nc(-c2ccccn2)n[nH]1 ZINC000449707876 514316216 /nfs/dbraw/zinc/31/62/16/514316216.db2.gz FEAKXUYPLYYTBI-ZDUSSCGKSA-N 1 0 352.398 2.886 20 5 FFBDRO CCc1ccccc1[C@H]([NH3+])CNC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000423976611 514318440 /nfs/dbraw/zinc/31/84/40/514318440.db2.gz MTQFQKWXKBXWNB-OAHLLOKOSA-N 1 0 373.409 2.604 20 5 FFBDRO COc1cc(C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)cc([N+](=O)[O-])c1C ZINC000424015499 514341218 /nfs/dbraw/zinc/34/12/18/514341218.db2.gz ZROQDDVHABOTDH-JKSUJKDBSA-N 1 0 373.384 2.618 20 5 FFBDRO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000414944225 514368090 /nfs/dbraw/zinc/36/80/90/514368090.db2.gz GIZAJGKLIWVNDL-AOOOYVTPSA-N 1 0 356.329 2.554 20 5 FFBDRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414947646 514369092 /nfs/dbraw/zinc/36/90/92/514369092.db2.gz KZFUFGCAXPYOEB-BXKDBHETSA-N 1 0 358.345 2.930 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000424074364 514369841 /nfs/dbraw/zinc/36/98/41/514369841.db2.gz NYCGVFINEHGJCQ-RNJOBUHISA-N 1 0 369.849 2.847 20 5 FFBDRO CN1CC[C@@H](C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1=O ZINC000424195202 514411325 /nfs/dbraw/zinc/41/13/25/514411325.db2.gz XYFMTWDCYWFKQO-GFCCVEGCSA-N 1 0 360.439 2.676 20 5 FFBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000449964770 514444952 /nfs/dbraw/zinc/44/49/52/514444952.db2.gz KANRDJBFLGIYGZ-INIZCTEOSA-N 1 0 361.442 2.891 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)[C@@H](C)C1 ZINC000449990728 514455663 /nfs/dbraw/zinc/45/56/63/514455663.db2.gz XCZKLNOJLSTKLW-HOCLYGCPSA-N 1 0 371.441 2.583 20 5 FFBDRO Cn1c(C(=O)NCC2([N@H+](C)Cc3ccccc3)CCC2)ccc1[N+](=O)[O-] ZINC000452724052 514475759 /nfs/dbraw/zinc/47/57/59/514475759.db2.gz XNMUCRWDSPKHKJ-UHFFFAOYSA-N 1 0 356.426 2.718 20 5 FFBDRO CCCN(CC[NH+](CC)CC)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000461172902 514528470 /nfs/dbraw/zinc/52/84/70/514528470.db2.gz UGNPJWBVOYJVDG-UHFFFAOYSA-N 1 0 373.457 2.975 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]Cc2ncnn2-c2ccccc2)n1 ZINC000479464494 514593926 /nfs/dbraw/zinc/59/39/26/514593926.db2.gz OVNHKZJNAAUDKO-HZPDHXFCSA-N 1 0 367.413 2.646 20 5 FFBDRO CC[NH+](CC)[C@@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)c1ccsc1 ZINC000502379572 514630392 /nfs/dbraw/zinc/63/03/92/514630392.db2.gz HXHTUHXLVQTJFY-ZDUSSCGKSA-N 1 0 360.443 2.616 20 5 FFBDRO C[N@@H+]1CCC[C@H](CCNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000458227434 514644289 /nfs/dbraw/zinc/64/42/89/514644289.db2.gz UECDUAWCRXQCMG-CYBMUJFWSA-N 1 0 351.422 2.860 20 5 FFBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000461619485 514671382 /nfs/dbraw/zinc/67/13/82/514671382.db2.gz RKRNHUAPUBYZMP-CQSZACIVSA-N 1 0 374.441 2.758 20 5 FFBDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC000484513131 514671515 /nfs/dbraw/zinc/67/15/15/514671515.db2.gz IPCYBDAODOASBW-IIAWOOMASA-N 1 0 360.458 2.640 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H]1CCCC[C@@H]1n1cccn1 ZINC000484653706 514731888 /nfs/dbraw/zinc/73/18/88/514731888.db2.gz QUPWCFCCCXLBAX-GJZGRUSLSA-N 1 0 357.414 2.812 20 5 FFBDRO CCCC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000502711812 514750065 /nfs/dbraw/zinc/75/00/65/514750065.db2.gz MIJZIHRUXOYSDH-OAHLLOKOSA-N 1 0 369.487 2.836 20 5 FFBDRO COC(=O)COc1ccc(CNc2[nH+]ccn2CC(C)C)cc1[N+](=O)[O-] ZINC000508455022 514783223 /nfs/dbraw/zinc/78/32/23/514783223.db2.gz WZOSFABISMEINY-UHFFFAOYSA-N 1 0 362.386 2.611 20 5 FFBDRO CN(CC(=O)N1CC[N@H+](C)CC12CCCCC2)c1ccccc1[N+](=O)[O-] ZINC000480043405 514821117 /nfs/dbraw/zinc/82/11/17/514821117.db2.gz NPZGBPMZLYYERT-UHFFFAOYSA-N 1 0 360.458 2.508 20 5 FFBDRO COCC[N@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@@H]1CC[C@@H](C)C1 ZINC000484884020 514829411 /nfs/dbraw/zinc/82/94/11/514829411.db2.gz MFKGSIKYFNHTIO-ZIAGYGMSSA-N 1 0 365.430 2.679 20 5 FFBDRO Cc1c(CNC(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)cccc1[N+](=O)[O-] ZINC000480071679 514831568 /nfs/dbraw/zinc/83/15/68/514831568.db2.gz WOCQDLSBYBNESL-INIZCTEOSA-N 1 0 360.458 2.777 20 5 FFBDRO C[NH+](C)CC1(C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CCCCC1 ZINC000471425706 514884586 /nfs/dbraw/zinc/88/45/86/514884586.db2.gz BUBXXFIFDMPLMO-UHFFFAOYSA-N 1 0 361.442 2.697 20 5 FFBDRO C[NH+](C)[C@]1(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CCSC1 ZINC000480281339 514907030 /nfs/dbraw/zinc/90/70/30/514907030.db2.gz VWURYTYBRZUWGC-INIZCTEOSA-N 1 0 365.480 2.977 20 5 FFBDRO C[N@H+](CC1CC1)C[C@H]1CCN(c2ncc([N+](=O)[O-])cc2Br)C1 ZINC000485148574 514936782 /nfs/dbraw/zinc/93/67/82/514936782.db2.gz FBIPPBIWZKPDRM-GFCCVEGCSA-N 1 0 369.263 2.920 20 5 FFBDRO Cc1nc2cc(Cn3cc(Br)c(=O)c([N+](=O)[O-])c3)ccc2[nH]1 ZINC000467207600 514938651 /nfs/dbraw/zinc/93/86/51/514938651.db2.gz OXMRXJHSMQDHTC-UHFFFAOYSA-N 1 0 363.171 2.752 20 5 FFBDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000471582615 514940218 /nfs/dbraw/zinc/94/02/18/514940218.db2.gz YBHLXWXPRDJBDL-AWEZNQCLSA-N 1 0 369.849 2.821 20 5 FFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](CO)Cc2ccc(F)c(F)c2)c(F)c1 ZINC000480452983 514965178 /nfs/dbraw/zinc/96/51/78/514965178.db2.gz JBZVTKSTWIRFPS-LBPRGKRZSA-N 1 0 354.328 2.953 20 5 FFBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C[C@@H]1C ZINC000498555473 514967880 /nfs/dbraw/zinc/96/78/80/514967880.db2.gz QTCVJEMRQKOVCQ-JKSUJKDBSA-N 1 0 374.485 2.752 20 5 FFBDRO CC[N@@H+]1C[C@H](C)N(C(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000498566549 514971956 /nfs/dbraw/zinc/97/19/56/514971956.db2.gz LIQZVJFBCGBESP-FRRDWIJNSA-N 1 0 369.849 2.957 20 5 FFBDRO COCC[C@H]([NH2+][C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C(C)(C)C ZINC000508986737 514976207 /nfs/dbraw/zinc/97/62/07/514976207.db2.gz KQMMBAYGIMKJFV-WBMJQRKESA-N 1 0 367.446 2.971 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC(C)(C)CCC[NH+](C)C)c1 ZINC000456198601 515016407 /nfs/dbraw/zinc/01/64/07/515016407.db2.gz JSAUPGLBTRPRMW-UHFFFAOYSA-N 1 0 351.447 2.909 20 5 FFBDRO COCC[NH+]1CCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC1 ZINC000485398153 515025107 /nfs/dbraw/zinc/02/51/07/515025107.db2.gz HAZNWQNNRGMEHF-UHFFFAOYSA-N 1 0 360.389 2.564 20 5 FFBDRO O=[N+]([O-])c1ccc(NCCC[NH+]2CCCC2)nc1OCc1ccccc1 ZINC000462441148 515053965 /nfs/dbraw/zinc/05/39/65/515053965.db2.gz MZSAEBXSSDHMFM-UHFFFAOYSA-N 1 0 356.426 2.889 20 5 FFBDRO COc1cc(C[NH+]2CCC(CN3CCCCC3=O)CC2)ccc1[N+](=O)[O-] ZINC000489974831 515054661 /nfs/dbraw/zinc/05/46/61/515054661.db2.gz BAZFNMYCAFULQC-UHFFFAOYSA-N 1 0 361.442 2.828 20 5 FFBDRO COc1cc(CN(CCC[NH3+])CC2CCCC2)c([N+](=O)[O-])cc1OC ZINC000489989008 515060554 /nfs/dbraw/zinc/06/05/54/515060554.db2.gz NHANIZBEAKPYAZ-UHFFFAOYSA-N 1 0 351.447 2.953 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(CN2CCC(CC[NH+]3CCOCC3)CC2)c(F)c1 ZINC000509295194 515112333 /nfs/dbraw/zinc/11/23/33/515112333.db2.gz UGXGSYMEYHPTQZ-UHFFFAOYSA-N 1 0 369.412 2.807 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])C[C@H]1C ZINC000480985835 515163092 /nfs/dbraw/zinc/16/30/92/515163092.db2.gz WEWGXMOYPHHDIX-UKRRQHHQSA-N 1 0 369.487 2.705 20 5 FFBDRO Cc1noc([C@H]2CC[N@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C2)n1 ZINC000499005974 515163110 /nfs/dbraw/zinc/16/31/10/515163110.db2.gz NRSFJHMZBWRPFG-AWEZNQCLSA-N 1 0 369.381 2.973 20 5 FFBDRO CNc1c(C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000462778345 515238625 /nfs/dbraw/zinc/23/86/25/515238625.db2.gz NVUQPAAYPOZQJL-UHFFFAOYSA-N 1 0 360.389 2.637 20 5 FFBDRO CC(C)[NH+](CCN(C)C(=O)CN(C)c1ccccc1[N+](=O)[O-])C(C)C ZINC000504201432 515243120 /nfs/dbraw/zinc/24/31/20/515243120.db2.gz JFROIYIHQCSWOF-UHFFFAOYSA-N 1 0 350.463 2.608 20 5 FFBDRO CCN(CCn1cc([N+](=O)[O-])cn1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000472440708 515271743 /nfs/dbraw/zinc/27/17/43/515271743.db2.gz RXUJBCSFGWFXKA-FUHWJXTLSA-N 1 0 357.458 2.949 20 5 FFBDRO CNc1c(C(=O)N2CC[NH+](CC3CCCCC3)CC2)cccc1[N+](=O)[O-] ZINC000462925489 515302073 /nfs/dbraw/zinc/30/20/73/515302073.db2.gz HGYIMUBNHBWJFI-UHFFFAOYSA-N 1 0 360.458 2.975 20 5 FFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@]1(CCO)CCOC1 ZINC000504893652 515402671 /nfs/dbraw/zinc/40/26/71/515402671.db2.gz HLAPEIXFOWFOFT-YOEHRIQHSA-N 1 0 354.472 2.844 20 5 FFBDRO C[C@@H]1CCC[N@H+](CCNC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000486269621 515410063 /nfs/dbraw/zinc/41/00/63/515410063.db2.gz NAVSUVJIOIHQLH-CYBMUJFWSA-N 1 0 368.865 2.822 20 5 FFBDRO C[C@H]1CN(Cc2c(Cl)cccc2[N+](=O)[O-])CCN1C1CC[NH+](C)CC1 ZINC000492175428 515510524 /nfs/dbraw/zinc/51/05/24/515510524.db2.gz JGDXMRNZDPNPHQ-AWEZNQCLSA-N 1 0 366.893 2.849 20 5 FFBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000457083581 515635681 /nfs/dbraw/zinc/63/56/81/515635681.db2.gz FNWVPDHPZLJSIU-ZDUSSCGKSA-N 1 0 370.247 2.912 20 5 FFBDRO C[C@@H](CNC(=O)CN(C)c1ccccc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000463843283 515637244 /nfs/dbraw/zinc/63/72/44/515637244.db2.gz CKMNNFOKMRMJFS-INIZCTEOSA-N 1 0 370.453 2.668 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000493507336 515638625 /nfs/dbraw/zinc/63/86/25/515638625.db2.gz UQEMXWJKXGWXAU-YWPYICTPSA-N 1 0 367.833 2.568 20 5 FFBDRO C[NH+](C)[C@H](CNc1c(Br)cncc1[N+](=O)[O-])c1ccsc1 ZINC000500261066 515647921 /nfs/dbraw/zinc/64/79/21/515647921.db2.gz IQLOVLBMZVVRHH-LLVKDONJSA-N 1 0 371.260 2.951 20 5 FFBDRO COC(=O)C1(C[NH2+]Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)CC1 ZINC000486919105 515683798 /nfs/dbraw/zinc/68/37/98/515683798.db2.gz FCGQXGBZSHVDSS-UHFFFAOYSA-N 1 0 360.366 2.906 20 5 FFBDRO CC(C)[NH+](CCN(C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000505826110 515686970 /nfs/dbraw/zinc/68/69/70/515686970.db2.gz OTCTVUJYACHIQZ-OAHLLOKOSA-N 1 0 350.463 2.972 20 5 FFBDRO C[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1nc2c(s1)CCC2 ZINC000459632182 515709115 /nfs/dbraw/zinc/70/91/15/515709115.db2.gz DXOMKJPPUUFZAW-AAEUAGOBSA-N 1 0 363.439 2.631 20 5 FFBDRO C[C@H](C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000482526965 515709028 /nfs/dbraw/zinc/70/90/28/515709028.db2.gz HCUMGZRUNJYFLE-HNNXBMFYSA-N 1 0 362.451 2.837 20 5 FFBDRO CCCN(CCC[NH+](C)C)c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000469184997 515711027 /nfs/dbraw/zinc/71/10/27/515711027.db2.gz FQXOMSMROFRFJF-UHFFFAOYSA-N 1 0 373.457 2.727 20 5 FFBDRO CNc1nc(C(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000454752206 515716849 /nfs/dbraw/zinc/71/68/49/515716849.db2.gz LJALXEXUFVBAAF-OKILXGFUSA-N 1 0 363.462 2.519 20 5 FFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)c(F)c1 ZINC000478387040 515802633 /nfs/dbraw/zinc/80/26/33/515802633.db2.gz QXFLKTQZQMAGTI-YLJYHZDGSA-N 1 0 373.428 2.707 20 5 FFBDRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)[NH+](C)C ZINC000464419890 515817329 /nfs/dbraw/zinc/81/73/29/515817329.db2.gz NZFRIWRZNMCVKA-PBHICJAKSA-N 1 0 373.457 2.642 20 5 FFBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000459807574 515819510 /nfs/dbraw/zinc/81/95/10/515819510.db2.gz RENCNBLVZBADBZ-QIIPPGSGSA-N 1 0 361.442 2.795 20 5 FFBDRO COc1ccccc1[C@H]1[C@@H]([NH3+])CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000457361195 515828241 /nfs/dbraw/zinc/82/82/41/515828241.db2.gz JEGYJMYYOSXTHX-LRDDRELGSA-N 1 0 361.423 2.970 20 5 FFBDRO C[NH+](C)C1(CNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CCCCCC1 ZINC000506256330 515829243 /nfs/dbraw/zinc/82/92/43/515829243.db2.gz WKVIEGLSFWLZAU-UHFFFAOYSA-N 1 0 369.487 2.669 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+]Cc2cccc3cc[nH]c32)cc1[N+](=O)[O-] ZINC000473997504 515836729 /nfs/dbraw/zinc/83/67/29/515836729.db2.gz WLJAOXKRHNGHNR-UHFFFAOYSA-N 1 0 369.377 2.918 20 5 FFBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000494472419 515855126 /nfs/dbraw/zinc/85/51/26/515855126.db2.gz YEBSZAMNXPNFSS-GXTWGEPZSA-N 1 0 354.769 2.741 20 5 FFBDRO C[NH+](C)CCN(Cc1ccccn1)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000500779626 515855796 /nfs/dbraw/zinc/85/57/96/515855796.db2.gz MEKBNMHQNSGSTG-UHFFFAOYSA-N 1 0 362.817 2.847 20 5 FFBDRO CNc1nc(C(=O)N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000454958053 515857537 /nfs/dbraw/zinc/85/75/37/515857537.db2.gz VHHNTFBPTUDSBS-ZFWWWQNUSA-N 1 0 369.425 2.597 20 5 FFBDRO CC(C)(CNC(=O)CSc1ccccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000482952198 515860706 /nfs/dbraw/zinc/86/07/06/515860706.db2.gz XJWXTPPLMRHUGI-UHFFFAOYSA-N 1 0 351.472 2.925 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)Cc1cnccc1C ZINC000482980023 515870289 /nfs/dbraw/zinc/87/02/89/515870289.db2.gz JEINGSKISLVYON-UHFFFAOYSA-N 1 0 358.398 2.767 20 5 FFBDRO Cn1cnc([N+](=O)[O-])c1N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000474168363 515914455 /nfs/dbraw/zinc/91/44/55/515914455.db2.gz JPHKWWLBTNWWOC-LJQANCHMSA-N 1 0 355.442 2.821 20 5 FFBDRO COC(=O)[C@H]1CCCC[C@@]1(C)[NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000464688816 515924273 /nfs/dbraw/zinc/92/42/73/515924273.db2.gz IRAHDGUHJDPECQ-SJKOYZFVSA-N 1 0 354.378 2.954 20 5 FFBDRO C[C@H](CNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000487895219 516023072 /nfs/dbraw/zinc/02/30/72/516023072.db2.gz JXRWGBTUAAIPBI-LLVKDONJSA-N 1 0 354.838 2.573 20 5 FFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000501234354 516024944 /nfs/dbraw/zinc/02/49/44/516024944.db2.gz OJGRFUAPHZESPR-ZBFHGGJFSA-N 1 0 354.410 2.864 20 5 FFBDRO CS[C@@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C[C@H]1[NH+]1CCCC1 ZINC000483386858 516059970 /nfs/dbraw/zinc/05/99/70/516059970.db2.gz MVDSUBMNRKALQQ-HUUCEWRRSA-N 1 0 369.874 2.900 20 5 FFBDRO CN(CC1([NH+](C)C)CCC1)C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000474616740 516122446 /nfs/dbraw/zinc/12/24/46/516122446.db2.gz VLWIIJPMAPCLIW-UHFFFAOYSA-N 1 0 357.357 2.753 20 5 FFBDRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000507275827 516151769 /nfs/dbraw/zinc/15/17/69/516151769.db2.gz DBUQWXPMBCRISQ-KBPBESRZSA-N 1 0 369.487 2.630 20 5 FFBDRO CNC(=O)CCOC1CC[NH+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000470179928 516166158 /nfs/dbraw/zinc/16/61/58/516166158.db2.gz FNQBODOQZXODTE-NTCAYCPXSA-N 1 0 361.442 2.615 20 5 FFBDRO CC1(C)CCC[N@H+](CCNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000470281309 516193171 /nfs/dbraw/zinc/19/31/71/516193171.db2.gz WQYGXOFXRRLGME-UHFFFAOYSA-N 1 0 358.442 2.857 20 5 FFBDRO C[C@H]1CCC[N@H+](CCCCNC(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000465603955 516208512 /nfs/dbraw/zinc/20/85/12/516208512.db2.gz PWWCXPCRJIYKBX-INIZCTEOSA-N 1 0 362.474 2.949 20 5 FFBDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000465744991 516246614 /nfs/dbraw/zinc/24/66/14/516246614.db2.gz DJFOUJPOMQMDGX-HNNXBMFYSA-N 1 0 362.474 2.947 20 5 FFBDRO CC(C)(C)[C@@H]1C[C@@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CS1 ZINC000488568122 516262482 /nfs/dbraw/zinc/26/24/82/516262482.db2.gz ARRKJVLKJPZELF-DOMZBBRYSA-N 1 0 372.512 2.878 20 5 FFBDRO CC(C)c1ccc(C[C@H]2CC[N@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000460984257 516297160 /nfs/dbraw/zinc/29/71/60/516297160.db2.gz VNBDAOQICXQLJM-XLIONFOSSA-N 1 0 372.469 2.840 20 5 FFBDRO CC[C@@H]1C[C@@H](C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)CCO1 ZINC000507808852 516305271 /nfs/dbraw/zinc/30/52/71/516305271.db2.gz WVOOXLZSGPRBEB-MAUKXSAKSA-N 1 0 361.442 2.558 20 5 FFBDRO CC[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CCOCC1 ZINC000557707793 516397560 /nfs/dbraw/zinc/39/75/60/516397560.db2.gz BHQOCSHORGIOIU-CQSZACIVSA-N 1 0 355.822 2.982 20 5 FFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CCn1cc(Br)cn1 ZINC000512993675 516435822 /nfs/dbraw/zinc/43/58/22/516435822.db2.gz UGTTWGVOMISTKQ-HYXAFXHYSA-N 1 0 351.204 2.857 20 5 FFBDRO CC(C)c1ccc(C[NH2+]C[C@H]2CCCCN2S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000512998061 516436059 /nfs/dbraw/zinc/43/60/59/516436059.db2.gz SWSJCMKGHJTMBU-OAHLLOKOSA-N 1 0 369.487 2.622 20 5 FFBDRO C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000540168291 516461319 /nfs/dbraw/zinc/46/13/19/516461319.db2.gz HWRNOWAEFQFYFW-OXQOHEQNSA-N 1 0 370.453 2.869 20 5 FFBDRO COCC1(C)CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000540197580 516470537 /nfs/dbraw/zinc/47/05/37/516470537.db2.gz ATLIVYMUAAXACS-UHFFFAOYSA-N 1 0 365.430 2.681 20 5 FFBDRO CCc1cc(OC)ccc1C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000554573076 516518660 /nfs/dbraw/zinc/51/86/60/516518660.db2.gz XQRQMKNPEKCAFQ-UHFFFAOYSA-N 1 0 356.426 2.883 20 5 FFBDRO C[NH+](C)C[C@@H](NC(=O)COc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000557956719 516523789 /nfs/dbraw/zinc/52/37/89/516523789.db2.gz ZVWSOBSOBBQXFQ-QGZVFWFLSA-N 1 0 361.373 2.532 20 5 FFBDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccc2n[nH]cc2c1 ZINC000513211579 516524676 /nfs/dbraw/zinc/52/46/76/516524676.db2.gz YEEPHBYMKCZABA-IUODEOHRSA-N 1 0 356.382 2.562 20 5 FFBDRO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)c1ccc([N+](=O)[O-])cn1 ZINC000531627418 516562441 /nfs/dbraw/zinc/56/24/41/516562441.db2.gz IIJMAXDTBALTIW-INIZCTEOSA-N 1 0 354.410 2.774 20 5 FFBDRO C[NH2+]C[C@H]1CCCN(C(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC000558156098 516620175 /nfs/dbraw/zinc/62/01/75/516620175.db2.gz YCAJDJIWVUAGNR-HZPDHXFCSA-N 1 0 374.485 2.903 20 5 FFBDRO C[NH+](C)C[C@@H]1CCCCN1C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000524199177 516667270 /nfs/dbraw/zinc/66/72/70/516667270.db2.gz SAZLOIXXCLLJKU-AWEZNQCLSA-N 1 0 369.849 2.960 20 5 FFBDRO Cc1ccc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)c(C[NH+](C)C)c1 ZINC000540720156 516684240 /nfs/dbraw/zinc/68/42/40/516684240.db2.gz RQLGENNFLMZQEA-UHFFFAOYSA-N 1 0 357.366 2.946 20 5 FFBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000561710879 516727209 /nfs/dbraw/zinc/72/72/09/516727209.db2.gz RZWCKIIVKYDYRY-AWEZNQCLSA-N 1 0 373.457 2.792 20 5 FFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H](O)CCc1ccccc1 ZINC000544374691 516730628 /nfs/dbraw/zinc/73/06/28/516730628.db2.gz AYHANIJYIRIRAG-BEFAXECRSA-N 1 0 371.437 2.895 20 5 FFBDRO CCO[C@H]1C[C@H]([N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)C1(CC)CC ZINC000536426734 516758458 /nfs/dbraw/zinc/75/84/58/516758458.db2.gz OYUBRDZAQUSDQY-HOTGVXAUSA-N 1 0 351.447 2.672 20 5 FFBDRO CCO[C@@H]1C[C@H]([N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)C1(CC)CC ZINC000536426737 516759711 /nfs/dbraw/zinc/75/97/11/516759711.db2.gz OYUBRDZAQUSDQY-JKSUJKDBSA-N 1 0 351.447 2.672 20 5 FFBDRO O=C(NC1CC[NH+](Cc2ccccn2)CC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000518804789 516781295 /nfs/dbraw/zinc/78/12/95/516781295.db2.gz LVZJRVSMPQZWTM-UHFFFAOYSA-N 1 0 358.373 2.523 20 5 FFBDRO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)c3ccc([N+](=O)[O-])cn3)cc2)C1 ZINC000532144074 516823655 /nfs/dbraw/zinc/82/36/55/516823655.db2.gz SWHYDEPFIHBCKT-CQSZACIVSA-N 1 0 370.409 2.963 20 5 FFBDRO CN1CCN(c2cc[nH+]cc2NC(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000544618037 516837885 /nfs/dbraw/zinc/83/78/85/516837885.db2.gz SZJRIEIFHMWWQW-UHFFFAOYSA-N 1 0 374.376 2.525 20 5 FFBDRO O=C(NCC[N@@H+]1CCc2ccccc2C1)Nc1ccc([N+](=O)[O-])cc1F ZINC000544626675 516844328 /nfs/dbraw/zinc/84/43/28/516844328.db2.gz RFPWCSMGKCVKDI-UHFFFAOYSA-N 1 0 358.373 2.914 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000544655990 516856562 /nfs/dbraw/zinc/85/65/62/516856562.db2.gz VGEJWRDABHVNSO-DZGCQCFKSA-N 1 0 369.487 2.705 20 5 FFBDRO CCOC(=O)Cn1nc(C)c(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c1C ZINC000555341338 516891021 /nfs/dbraw/zinc/89/10/21/516891021.db2.gz ACVXPXTUSHVIKZ-UHFFFAOYSA-N 1 0 374.441 2.646 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCCC[C@H]1C[NH+](C)C ZINC000519139858 516898073 /nfs/dbraw/zinc/89/80/73/516898073.db2.gz CZMKHAKOPNEEBQ-OCCSQVGLSA-N 1 0 369.849 2.958 20 5 FFBDRO C[NH+](C)CCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])cn2)cc1Cl ZINC000532398357 516953174 /nfs/dbraw/zinc/95/31/74/516953174.db2.gz VBOLOOXQOJLLHR-UHFFFAOYSA-N 1 0 364.789 2.836 20 5 FFBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000514696845 517010343 /nfs/dbraw/zinc/01/03/43/517010343.db2.gz LFCIQQSHVPZGKJ-CQSZACIVSA-N 1 0 359.430 2.631 20 5 FFBDRO C[C@@H]1C[N@@H+](C[C@H]2CCCN2Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H](C)O1 ZINC000548508507 517024238 /nfs/dbraw/zinc/02/42/38/517024238.db2.gz JHNDNOVRXYFPCX-IJEWVQPXSA-N 1 0 373.457 2.545 20 5 FFBDRO COc1ccc(CNC(=O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000537074661 517029487 /nfs/dbraw/zinc/02/94/87/517029487.db2.gz PFPPPHLWAPTFLH-ZDUSSCGKSA-N 1 0 373.409 2.579 20 5 FFBDRO CC(C)(C)c1ccc(C(C)(C)[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000537105801 517038607 /nfs/dbraw/zinc/03/86/07/517038607.db2.gz YSTVSTYNZORRPO-KRWDZBQOSA-N 1 0 360.458 2.975 20 5 FFBDRO COCC[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)C1 ZINC000537170760 517065936 /nfs/dbraw/zinc/06/59/36/517065936.db2.gz UKJMYDXVDOISKR-ZDUSSCGKSA-N 1 0 367.471 2.546 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000525544408 517071252 /nfs/dbraw/zinc/07/12/52/517071252.db2.gz BZUZIZVFVOFGNC-OBJOEFQTSA-N 1 0 369.849 2.957 20 5 FFBDRO CN(CCOc1cccc([N+](=O)[O-])c1)[C@H]1CCN(c2ccccc2)C1=O ZINC000532717191 517110899 /nfs/dbraw/zinc/11/08/99/517110899.db2.gz ALJYFWKPSHFJAV-SFHVURJKSA-N 1 0 355.394 2.711 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)CCC[N@H+](C)Cc1ccco1 ZINC000552268252 517170212 /nfs/dbraw/zinc/17/02/12/517170212.db2.gz BSANPOWASLNALS-UHFFFAOYSA-N 1 0 374.441 2.889 20 5 FFBDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000545365088 517200643 /nfs/dbraw/zinc/20/06/43/517200643.db2.gz GNTPLBJQRRSANL-MRXNPFEDSA-N 1 0 369.487 2.525 20 5 FFBDRO CC(C)C[C@H](CNC(=O)c1c([N+](=O)[O-])cnn1C)[NH2+][C@H](C)c1ccccc1 ZINC000537519469 517217334 /nfs/dbraw/zinc/21/73/34/517217334.db2.gz DEYYYMLBGTUJMB-GDBMZVCRSA-N 1 0 373.457 2.824 20 5 FFBDRO COc1ccc(NC(=O)NCC2(C[NH+](C)C)CCCC2)cc1[N+](=O)[O-] ZINC000545405218 517224440 /nfs/dbraw/zinc/22/44/40/517224440.db2.gz UHWFRMXUNFQPPT-UHFFFAOYSA-N 1 0 350.419 2.847 20 5 FFBDRO COc1ccc(OCC[NH2+][C@H](C(C)C)C2(CO)CCC2)c([N+](=O)[O-])c1 ZINC000559443336 517260442 /nfs/dbraw/zinc/26/04/42/517260442.db2.gz GLGYBANGJCEJBH-QGZVFWFLSA-N 1 0 352.431 2.759 20 5 FFBDRO CC(C)CCC[C@H](C)[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000537969474 517419498 /nfs/dbraw/zinc/41/94/98/517419498.db2.gz BNCLPJKTHFSHMH-AWEZNQCLSA-N 1 0 357.476 2.678 20 5 FFBDRO NC(=O)c1cccc(NCCC[N@@H+]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000552973386 517460583 /nfs/dbraw/zinc/46/05/83/517460583.db2.gz VKJHDVYWZSLONS-UHFFFAOYSA-N 1 0 354.410 2.554 20 5 FFBDRO O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000562979320 517550806 /nfs/dbraw/zinc/55/08/06/517550806.db2.gz YFUZLKNIWIDQPB-SFHVURJKSA-N 1 0 372.450 2.934 20 5 FFBDRO CC(C)(C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)Oc1ccccc1 ZINC000562993753 517566142 /nfs/dbraw/zinc/56/61/42/517566142.db2.gz NKRHMOZSOAWIGB-MRXNPFEDSA-N 1 0 360.410 2.782 20 5 FFBDRO C[C@H]1Cc2ccccc2[C@@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000542666927 517678609 /nfs/dbraw/zinc/67/86/09/517678609.db2.gz ZTWXIDITPWIGPG-SCLBCKFNSA-N 1 0 360.435 2.892 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C2C3CC4CC(C3)CC2C4)cc1 ZINC000542684065 517687012 /nfs/dbraw/zinc/68/70/12/517687012.db2.gz ZGYIAFBPLFASEN-UHFFFAOYSA-N 1 0 364.467 2.783 20 5 FFBDRO Cc1cc2ncn(C[C@@H](O)C[NH2+]CCc3ccc([N+](=O)[O-])cc3)c2cc1C ZINC000556859425 517713023 /nfs/dbraw/zinc/71/30/23/517713023.db2.gz NIVRLWDADUMWER-SFHVURJKSA-N 1 0 368.437 2.755 20 5 FFBDRO CS[C@H]1CN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C[C@@H]1[NH+](C)C ZINC000546549690 517720270 /nfs/dbraw/zinc/72/02/70/517720270.db2.gz MMHRVFLSTVJZLW-GJZGRUSLSA-N 1 0 369.462 2.516 20 5 FFBDRO C[C@@H]1C[C@@H](NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC000542852640 517782741 /nfs/dbraw/zinc/78/27/41/517782741.db2.gz OBYWXDDGLPDZIY-MWLCHTKSSA-N 1 0 355.341 2.551 20 5 FFBDRO O=C1[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)CCN1c1cccc([N+](=O)[O-])c1 ZINC000549920086 517782668 /nfs/dbraw/zinc/78/26/68/517782668.db2.gz PHFCICVHZVRKJG-MLHJIOFPSA-N 1 0 371.437 2.637 20 5 FFBDRO CCO[C@@H]1C[C@@H](Nc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)[C@H]1n1cccn1 ZINC000556996035 517796370 /nfs/dbraw/zinc/79/63/70/517796370.db2.gz WPCREPWWSLGTDR-GUDVDZBRSA-N 1 0 367.409 2.900 20 5 FFBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C[C@H]1C ZINC000542889140 517800939 /nfs/dbraw/zinc/80/09/39/517800939.db2.gz OPHFZPWGFABZEV-GHMZBOCLSA-N 1 0 357.357 2.751 20 5 FFBDRO CCC(CC)(CC)C[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000542906018 517806539 /nfs/dbraw/zinc/80/65/39/517806539.db2.gz NGWUQDKYIKSNAG-UHFFFAOYSA-N 1 0 357.476 2.679 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H](Cc2ccccc2)[NH+](C)C)c1 ZINC000542948519 517833403 /nfs/dbraw/zinc/83/34/03/517833403.db2.gz ZWHZMQNGVPFBQU-MRXNPFEDSA-N 1 0 357.410 2.966 20 5 FFBDRO COCc1cc(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])ccc1F ZINC000516862753 517880277 /nfs/dbraw/zinc/88/02/77/517880277.db2.gz LOJZNYIJCYEWHX-UHFFFAOYSA-N 1 0 361.373 2.999 20 5 FFBDRO C[C@H](Cn1cc(Br)cn1)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000539068901 517901276 /nfs/dbraw/zinc/90/12/76/517901276.db2.gz IIVQMDJJPCGYJK-LLVKDONJSA-N 1 0 369.219 2.611 20 5 FFBDRO C[C@@H]1CC(C)(C)C[C@](CO)([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000543139653 517929740 /nfs/dbraw/zinc/92/97/40/517929740.db2.gz VMKNYTHPUAKHQF-ZRGWGRIASA-N 1 0 366.458 2.501 20 5 FFBDRO CCc1[nH]nc(-c2nc(-c3ccc(OCC[NH+](C)C)cc3)no2)c1[N+](=O)[O-] ZINC000557350485 517970960 /nfs/dbraw/zinc/97/09/60/517970960.db2.gz XWQPAXQLEDHQLE-UHFFFAOYSA-N 1 0 372.385 2.538 20 5 FFBDRO COCc1cc([N+](=O)[O-])ccc1NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000530855977 518015272 /nfs/dbraw/zinc/01/52/72/518015272.db2.gz CPVYUPFFVXVGOU-UHFFFAOYSA-N 1 0 370.453 2.975 20 5 FFBDRO Cc1ccc(C[NH2+]C[C@H](Cc2ccccc2Cl)C(N)=O)cc1[N+](=O)[O-] ZINC000539618709 518123175 /nfs/dbraw/zinc/12/31/75/518123175.db2.gz QAYRMSSSUUXMFR-HNNXBMFYSA-N 1 0 361.829 2.990 20 5 FFBDRO CC(C)c1csc(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])n1 ZINC000517359683 518127704 /nfs/dbraw/zinc/12/77/04/518127704.db2.gz LSTAYQNAKLOCAV-GFCCVEGCSA-N 1 0 351.428 2.704 20 5 FFBDRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000535340495 518175534 /nfs/dbraw/zinc/17/55/34/518175534.db2.gz OZKQLBPCLXCCGY-HOTGVXAUSA-N 1 0 362.474 2.805 20 5 FFBDRO O=[N+]([O-])c1ccc(OCC[NH2+]C[C@H](O)Cc2cccc(Cl)c2)cc1 ZINC000569715704 518255729 /nfs/dbraw/zinc/25/57/29/518255729.db2.gz PQCWEXOBXMWZNL-MRXNPFEDSA-N 1 0 350.802 2.820 20 5 FFBDRO CC[NH2+]CC1CCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000584292058 518268408 /nfs/dbraw/zinc/26/84/08/518268408.db2.gz RKLIYVYYROHBJT-UHFFFAOYSA-N 1 0 374.485 2.659 20 5 FFBDRO Cc1csc(Sc2ccc(C(=O)N[C@@H](C)[C@H](C)[NH3+])cc2[N+](=O)[O-])n1 ZINC000584409470 518327597 /nfs/dbraw/zinc/32/75/97/518327597.db2.gz CXTWDGBEFZHFJP-UWVGGRQHSA-N 1 0 366.468 2.976 20 5 FFBDRO [NH3+]CCN(Cc1ccc(Br)cn1)c1ccccc1[N+](=O)[O-] ZINC000578781371 518370355 /nfs/dbraw/zinc/37/03/55/518370355.db2.gz VXUBJULHLBIZMS-UHFFFAOYSA-N 1 0 351.204 2.718 20 5 FFBDRO O=C(c1cc([N+](=O)[O-])c[nH]1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000584562101 518398090 /nfs/dbraw/zinc/39/80/90/518398090.db2.gz RKNSBGCRMIRDJD-HOTGVXAUSA-N 1 0 354.410 2.517 20 5 FFBDRO COc1cc(C(=O)N2CCc3ccccc3[C@H]2C[NH3+])cc([N+](=O)[O-])c1C ZINC000567272296 518441189 /nfs/dbraw/zinc/44/11/89/518441189.db2.gz LAZZXHYOPNRKKF-QGZVFWFLSA-N 1 0 355.394 2.610 20 5 FFBDRO Cc1c(NC(=O)NCc2ccncc2OCC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000564492283 518472447 /nfs/dbraw/zinc/47/24/47/518472447.db2.gz RNCSFEIMKLKDGH-UHFFFAOYSA-N 1 0 373.413 2.560 20 5 FFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@H]1CS(=O)(=O)c2ccccc21 ZINC000581894482 518490733 /nfs/dbraw/zinc/49/07/33/518490733.db2.gz VBEIHIKPVRPOFO-BLLLJJGKSA-N 1 0 358.419 2.743 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CC1(c2cccc(F)c2)CC1 ZINC000570201926 518493295 /nfs/dbraw/zinc/49/32/95/518493295.db2.gz NMUHKIQNYZAMIE-MRXNPFEDSA-N 1 0 360.385 2.795 20 5 FFBDRO CCC[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000584869447 518516773 /nfs/dbraw/zinc/51/67/73/518516773.db2.gz HVSACGIIUOEUJR-OIISXLGYSA-N 1 0 361.442 2.719 20 5 FFBDRO C[C@@H](CCC(C)(C)C)[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000576417190 518583022 /nfs/dbraw/zinc/58/30/22/518583022.db2.gz PNUBPBKCYDMLTQ-ZDUSSCGKSA-N 1 0 357.476 2.678 20 5 FFBDRO COc1ccc(CNc2[nH]c3cc(OC)c(OC)cc3[nH+]2)cc1[N+](=O)[O-] ZINC000570392898 518584284 /nfs/dbraw/zinc/58/42/84/518584284.db2.gz VSJIOYJGPRKWFH-UHFFFAOYSA-N 1 0 358.354 2.531 20 5 FFBDRO CSCc1ccc(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000570447151 518611056 /nfs/dbraw/zinc/61/10/56/518611056.db2.gz UKNPZYFVGUCVOK-MRXNPFEDSA-N 1 0 362.451 2.987 20 5 FFBDRO CCCN(C(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000570508492 518641600 /nfs/dbraw/zinc/64/16/00/518641600.db2.gz YLZSFWHFLDPDMU-NSHDSACASA-N 1 0 353.444 2.539 20 5 FFBDRO Cc1ccc2c(c1C)OC[C@H]2[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000567679017 518649423 /nfs/dbraw/zinc/64/94/23/518649423.db2.gz IEWOYNYRXFCXGO-GDBMZVCRSA-N 1 0 358.394 2.675 20 5 FFBDRO O=C(NCC[C@@H]1CC[NH2+]C1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000576702469 518721416 /nfs/dbraw/zinc/72/14/16/518721416.db2.gz XQKXKPXQPSRKJB-NSHDSACASA-N 1 0 371.387 2.689 20 5 FFBDRO COc1ccccc1[C@]1(C)C[C@H]1[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000582481637 518774689 /nfs/dbraw/zinc/77/46/89/518774689.db2.gz BZCOKJMRTRCOAF-XMCHAPAWSA-N 1 0 372.421 2.663 20 5 FFBDRO CCO[C@@H]1C[C@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C12CCCC2 ZINC000582513451 518789598 /nfs/dbraw/zinc/78/95/98/518789598.db2.gz FNGUOAOTVBKQQT-FHLIZLRMSA-N 1 0 364.442 2.662 20 5 FFBDRO CN(CC1([NH+](C)C)CCC1)C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000582520361 518791881 /nfs/dbraw/zinc/79/18/81/518791881.db2.gz WAZDPFURAUXRRI-UHFFFAOYSA-N 1 0 373.457 2.744 20 5 FFBDRO COc1cccc2c1CC[C@H]2[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000570837335 518804826 /nfs/dbraw/zinc/80/48/26/518804826.db2.gz QYYSOGDYRGYMMR-KBXCAEBGSA-N 1 0 358.394 2.620 20 5 FFBDRO COc1cccc2c1CC[C@@H]2[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000570837338 518805061 /nfs/dbraw/zinc/80/50/61/518805061.db2.gz QYYSOGDYRGYMMR-KDOFPFPSSA-N 1 0 358.394 2.620 20 5 FFBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000570868011 518817859 /nfs/dbraw/zinc/81/78/59/518817859.db2.gz NFVFNFAOSSZTCP-CYBMUJFWSA-N 1 0 352.435 2.523 20 5 FFBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000588818115 518839364 /nfs/dbraw/zinc/83/93/64/518839364.db2.gz BTLKUQXSMDDBRL-HNNXBMFYSA-N 1 0 372.473 2.742 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@H]2CSc3ccccc32)c1 ZINC000576980155 518858449 /nfs/dbraw/zinc/85/84/49/518858449.db2.gz SNTRUOOCJHYECK-ZFWWWQNUSA-N 1 0 360.435 2.814 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@H]2CSc3ccccc32)c1 ZINC000576980152 518858509 /nfs/dbraw/zinc/85/85/09/518858509.db2.gz SNTRUOOCJHYECK-DZGCQCFKSA-N 1 0 360.435 2.814 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@@H]2CSc3ccccc32)c1 ZINC000576980153 518858546 /nfs/dbraw/zinc/85/85/46/518858546.db2.gz SNTRUOOCJHYECK-HIFRSBDPSA-N 1 0 360.435 2.814 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N[C@@H](CC[NH3+])C(F)F)cc2[N+](=O)[O-])CC1 ZINC000576989948 518862992 /nfs/dbraw/zinc/86/29/92/518862992.db2.gz LTFNOZDDIZXHBX-ZDUSSCGKSA-N 1 0 370.400 2.543 20 5 FFBDRO CC(C)C[NH+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C2CC2)CC1 ZINC000568104460 518876293 /nfs/dbraw/zinc/87/62/93/518876293.db2.gz RPJGBAKUJGONSZ-UHFFFAOYSA-N 1 0 370.457 2.966 20 5 FFBDRO CN(C(=O)c1c(N)cccc1[N+](=O)[O-])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000571050107 518903862 /nfs/dbraw/zinc/90/38/62/518903862.db2.gz MZBVJIOPADZGGS-OAHLLOKOSA-N 1 0 354.410 2.524 20 5 FFBDRO O=[N+]([O-])c1cc(N2CC[C@H](C[NH+]3CCOCC3)C2)ccc1C(F)(F)F ZINC000589111382 518917781 /nfs/dbraw/zinc/91/77/81/518917781.db2.gz GUYOXCLMQYRAPW-GFCCVEGCSA-N 1 0 359.348 2.772 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@H]1CCCOc2ccccc21 ZINC000571198628 518975107 /nfs/dbraw/zinc/97/51/07/518975107.db2.gz SMWGTLAFYKAWRG-HOCLYGCPSA-N 1 0 358.394 2.838 20 5 FFBDRO O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000589634572 519049437 /nfs/dbraw/zinc/04/94/37/519049437.db2.gz HBZHWONMHYAJBG-LSDHHAIUSA-N 1 0 371.441 2.545 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]Cc2ccc(Cl)cc2F)c1 ZINC000565654013 519065243 /nfs/dbraw/zinc/06/52/43/519065243.db2.gz NDSBHHCHQRJTIR-AWEZNQCLSA-N 1 0 354.765 2.917 20 5 FFBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](C3CC3)CC2)c(F)c1N1CCOCC1 ZINC000583094124 519073903 /nfs/dbraw/zinc/07/39/03/519073903.db2.gz QHFSRNKRRMDXTE-UHFFFAOYSA-N 1 0 364.421 2.609 20 5 FFBDRO C[NH+](C)C1(CNC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)CCCC1 ZINC000580238493 519074759 /nfs/dbraw/zinc/07/47/59/519074759.db2.gz JRHJUIUWDZDOSN-UHFFFAOYSA-N 1 0 373.457 2.792 20 5 FFBDRO O=[N+]([O-])c1cccc2c1ccnc2N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000574289851 519083755 /nfs/dbraw/zinc/08/37/55/519083755.db2.gz AYMHHHSKDDBAKX-OAHLLOKOSA-N 1 0 356.426 2.834 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000577452197 519083942 /nfs/dbraw/zinc/08/39/42/519083942.db2.gz FGADRYYACIDQLZ-KRWDZBQOSA-N 1 0 361.442 2.620 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2CCCc3sc(Cl)cc32)c1 ZINC000571433036 519095050 /nfs/dbraw/zinc/09/50/50/519095050.db2.gz OIJRTBWDJTZPFP-PWSUYJOCSA-N 1 0 356.835 2.534 20 5 FFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc2cnn(C)c2c1 ZINC000571491987 519120752 /nfs/dbraw/zinc/12/07/52/519120752.db2.gz BBESUHGTMJGLAW-CYBMUJFWSA-N 1 0 367.409 2.988 20 5 FFBDRO COc1ccc(-c2ccc(CN3CC[C@H]4C[N@H+](C)C[C@@H]43)o2)c([N+](=O)[O-])c1 ZINC000590052744 519137469 /nfs/dbraw/zinc/13/74/69/519137469.db2.gz KENXLDSQUBEHBK-UGSOOPFHSA-N 1 0 357.410 2.999 20 5 FFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000574414795 519145487 /nfs/dbraw/zinc/14/54/87/519145487.db2.gz OVLQTSHSJXCXSJ-SXLOBPIMSA-N 1 0 359.470 2.940 20 5 FFBDRO C[NH+]1CCC2(CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3Cl)C2)CC1 ZINC000590547804 519260780 /nfs/dbraw/zinc/26/07/80/519260780.db2.gz FKSYJBCEGPEFNJ-UHFFFAOYSA-N 1 0 351.834 2.735 20 5 FFBDRO COC(=O)c1c(Cl)c(N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000590582897 519274075 /nfs/dbraw/zinc/27/40/75/519274075.db2.gz WDWXPXBNLYVCQQ-GWCFXTLKSA-N 1 0 353.806 2.565 20 5 FFBDRO CC(C)(C)[C@@H]1OCCC[C@@H]1C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000566117020 519310897 /nfs/dbraw/zinc/31/08/97/519310897.db2.gz LMWDPULFAALSQR-QGPMSJSTSA-N 1 0 366.458 2.765 20 5 FFBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CCN(c2cc[nH+]cc2)CC1 ZINC000590684753 519314462 /nfs/dbraw/zinc/31/44/62/519314462.db2.gz ZXHKKSLCDLCJGG-UHFFFAOYSA-N 1 0 365.393 2.873 20 5 FFBDRO [NH3+][C@H]1CCc2ncc(NC(=O)CCCNc3ccc([N+](=O)[O-])cc3)cc2C1 ZINC000574758376 519317782 /nfs/dbraw/zinc/31/77/82/519317782.db2.gz XKJFHGPVKUMAPU-AWEZNQCLSA-N 1 0 369.425 2.637 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@@H]1C[C@H]1c1c(F)cccc1F ZINC000571875180 519321373 /nfs/dbraw/zinc/32/13/73/519321373.db2.gz YCUPJTCYZWCVMG-YWPYICTPSA-N 1 0 364.348 2.758 20 5 FFBDRO COC1CCC(CC[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000574805949 519341023 /nfs/dbraw/zinc/34/10/23/519341023.db2.gz QVMRJGGYIKQLJJ-ARWYELJZSA-N 1 0 352.431 2.519 20 5 FFBDRO Cc1ccc(C[N@H+](C)CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)nc1 ZINC000590754695 519352356 /nfs/dbraw/zinc/35/23/56/519352356.db2.gz OUHOVMCRJHXYCA-UHFFFAOYSA-N 1 0 356.382 2.728 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)Cc1ccc(C)cn1 ZINC000590754976 519353446 /nfs/dbraw/zinc/35/34/46/519353446.db2.gz XLPAOOLMEGYHCA-UHFFFAOYSA-N 1 0 358.398 2.767 20 5 FFBDRO CC(C)[NH2+]CCCNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000578068495 519401706 /nfs/dbraw/zinc/40/17/06/519401706.db2.gz FYGKIXSEFSXVSV-UHFFFAOYSA-N 1 0 351.450 2.659 20 5 FFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000574946929 519416224 /nfs/dbraw/zinc/41/62/24/519416224.db2.gz GHACBOHOZRWEFN-AWEZNQCLSA-N 1 0 364.446 2.780 20 5 FFBDRO CCO[C@@H]1C[C@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C12CCCC2 ZINC000580979617 519458133 /nfs/dbraw/zinc/45/81/33/519458133.db2.gz GMMMWLDXGIUPFA-RYQLBKOJSA-N 1 0 364.442 2.662 20 5 FFBDRO O=[N+]([O-])c1cccnc1N1CC[NH+](CCN2CCCc3ccccc32)CC1 ZINC000590962208 519459525 /nfs/dbraw/zinc/45/95/25/519459525.db2.gz BDWVJLISOIEESB-UHFFFAOYSA-N 1 0 367.453 2.565 20 5 FFBDRO Cc1cn2c(n1)[C@H](C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)CCC2 ZINC000575206886 519554596 /nfs/dbraw/zinc/55/45/96/519554596.db2.gz IZWCHFSOKIWCGK-ARFHVFGLSA-N 1 0 358.446 2.947 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000591299703 519579635 /nfs/dbraw/zinc/57/96/35/519579635.db2.gz YVEJQCAKWLZDSC-KBPBESRZSA-N 1 0 362.430 2.847 20 5 FFBDRO CC(C)[C@@H]1CCc2ccccc2[C@H]1[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000578436919 519592206 /nfs/dbraw/zinc/59/22/06/519592206.db2.gz NSPKCCBEATWXSH-AOIWGVFYSA-N 1 0 358.442 2.702 20 5 FFBDRO O=C1[C@H](N2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000572411959 519600511 /nfs/dbraw/zinc/60/05/11/519600511.db2.gz MLBCRDWZXNJEHT-SQNIBIBYSA-N 1 0 371.437 2.734 20 5 FFBDRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)CCn3cc([N+](=O)[O-])cn3)C2)s1 ZINC000566681533 519609903 /nfs/dbraw/zinc/60/99/03/519609903.db2.gz IISCPLDTHITDOV-OAHLLOKOSA-N 1 0 363.487 2.615 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@H](c2ccc3cccnc3n2)C1 ZINC000602881311 519945464 /nfs/dbraw/zinc/94/54/64/519945464.db2.gz GKALNNQSFROIFG-HNNXBMFYSA-N 1 0 352.398 2.532 20 5 FFBDRO CCN(C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)C1CC[NH+](C)CC1 ZINC000599985851 519985320 /nfs/dbraw/zinc/98/53/20/519985320.db2.gz LUINAOXDSWOKSC-UHFFFAOYSA-N 1 0 374.485 2.754 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000594482974 519992337 /nfs/dbraw/zinc/99/23/37/519992337.db2.gz GSLZUZDGZIDMNJ-HUUCEWRRSA-N 1 0 367.471 2.507 20 5 FFBDRO COc1ccccc1[C@H]([NH3+])CNC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000591680727 519997399 /nfs/dbraw/zinc/99/73/99/519997399.db2.gz BTYYDPXVLHVPHO-OAHLLOKOSA-N 1 0 357.410 2.958 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000600008111 519999494 /nfs/dbraw/zinc/99/94/94/519999494.db2.gz KZJQRCWXZILCEA-UHFFFAOYSA-N 1 0 361.442 2.539 20 5 FFBDRO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])n3C)c(C)c2)CC1 ZINC000612531185 520007373 /nfs/dbraw/zinc/00/73/73/520007373.db2.gz YZXUDLUZLIFKAV-UHFFFAOYSA-N 1 0 371.441 2.636 20 5 FFBDRO Cn1nnc2c1CC[C@@H]([NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)C2 ZINC000594521183 520013837 /nfs/dbraw/zinc/01/38/37/520013837.db2.gz MIFKWBJSPQNLQO-OXQOHEQNSA-N 1 0 363.421 2.960 20 5 FFBDRO CC(C)C[C@H](CNc1ccc([N+](=O)[O-])c(N2CCOCC2)c1F)[NH+](C)C ZINC000594543143 520018126 /nfs/dbraw/zinc/01/81/26/520018126.db2.gz YWNJAYUTGXINNV-CQSZACIVSA-N 1 0 368.453 2.959 20 5 FFBDRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000597606086 520131691 /nfs/dbraw/zinc/13/16/91/520131691.db2.gz ULSLRAGZARHXKS-LLVKDONJSA-N 1 0 370.247 2.914 20 5 FFBDRO CCc1ccc([C@@H](CNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)[NH+](C)C)cc1 ZINC000608811365 520135102 /nfs/dbraw/zinc/13/51/02/520135102.db2.gz NOVRHEHFZPYDKI-QGZVFWFLSA-N 1 0 373.457 2.508 20 5 FFBDRO O=C(CCNc1ccccc1[N+](=O)[O-])NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000600229409 520139973 /nfs/dbraw/zinc/13/99/73/520139973.db2.gz ROFTXYCIJYHAAF-MRXNPFEDSA-N 1 0 360.458 2.920 20 5 FFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)n1cc(C[C@@H]([NH3+])Cc2ccccc2)nn1 ZINC000603186869 520145633 /nfs/dbraw/zinc/14/56/33/520145633.db2.gz YGJAINFPJXQDNJ-PBHICJAKSA-N 1 0 351.410 2.908 20 5 FFBDRO CCc1ccc(C[N@H+](CC(C)C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000592138995 520214976 /nfs/dbraw/zinc/21/49/76/520214976.db2.gz UMAMMIKKXZOMQN-LJQANCHMSA-N 1 0 360.458 2.873 20 5 FFBDRO Cc1n[nH]c(C(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)c1[N+](=O)[O-] ZINC000609174005 520218524 /nfs/dbraw/zinc/21/85/24/520218524.db2.gz ULNSNOBSAKJEHF-HNNXBMFYSA-N 1 0 357.414 2.583 20 5 FFBDRO C[S@](=O)[C@@H]1CCC[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000594962575 520230308 /nfs/dbraw/zinc/23/03/08/520230308.db2.gz RTXKKJPOROWSJV-BRHMAQAHSA-N 1 0 362.398 2.976 20 5 FFBDRO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CS1(=O)=O ZINC000594973447 520235354 /nfs/dbraw/zinc/23/53/54/520235354.db2.gz BRVGLFWJSWILOI-OCCSQVGLSA-N 1 0 364.423 2.910 20 5 FFBDRO COc1cc(C[NH2+]C[C@@H]2CCN2Cc2ccccc2)c([N+](=O)[O-])cc1O ZINC000594999188 520251008 /nfs/dbraw/zinc/25/10/08/520251008.db2.gz PPCJQAGTRFEYGA-INIZCTEOSA-N 1 0 357.410 2.673 20 5 FFBDRO CN(CCCC[NH+]1CCCCC1)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000603417283 520256552 /nfs/dbraw/zinc/25/65/52/520256552.db2.gz AUJRAOZPKVDIGV-UHFFFAOYSA-N 1 0 369.487 2.623 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000595046184 520268031 /nfs/dbraw/zinc/26/80/31/520268031.db2.gz JFZNARZLZMBORL-BYNSBNAKSA-N 1 0 351.447 2.752 20 5 FFBDRO Cn1ccnc1[C@H](NC[C@H]1CC[N@@H+]1C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000595050610 520269979 /nfs/dbraw/zinc/26/99/79/520269979.db2.gz SREDMIIONOYHMM-IAGOWNOFSA-N 1 0 357.458 2.880 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCO[C@H](c2nccn2C)C1 ZINC000595051252 520270262 /nfs/dbraw/zinc/27/02/62/520270262.db2.gz MNEUVBNEFGHJTQ-AHIWAGSCSA-N 1 0 360.414 2.908 20 5 FFBDRO CC(=O)NCc1ccc(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000595061564 520274328 /nfs/dbraw/zinc/27/43/28/520274328.db2.gz RHDIYWPCANMQHF-ZWKOTPCHSA-N 1 0 371.441 2.701 20 5 FFBDRO O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000600469790 520278520 /nfs/dbraw/zinc/27/85/20/520278520.db2.gz KFQSEJDOZJAHIA-MRXNPFEDSA-N 1 0 369.425 2.527 20 5 FFBDRO C[NH+](C)C[C@@H](NC(=O)c1cc([N+](=O)[O-])n[nH]1)c1ccc(Cl)c(Cl)c1 ZINC000600472304 520278707 /nfs/dbraw/zinc/27/87/07/520278707.db2.gz NYVLPGAUUWMFQM-GFCCVEGCSA-N 1 0 372.212 2.657 20 5 FFBDRO O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000600469381 520279716 /nfs/dbraw/zinc/27/97/16/520279716.db2.gz AJYGPZUIJFJJJC-CQSZACIVSA-N 1 0 370.409 2.595 20 5 FFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]Cc1c(C2CC2)cnn1C ZINC000595076102 520282230 /nfs/dbraw/zinc/28/22/30/520282230.db2.gz DZZWFLCEWRBLEB-LBPRGKRZSA-N 1 0 357.414 2.713 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000597858493 520287403 /nfs/dbraw/zinc/28/74/03/520287403.db2.gz MDGXNYDSTQMDQS-NSHDSACASA-N 1 0 357.357 2.799 20 5 FFBDRO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNc3ccc([N+](=O)[O-])s3)c2)C1 ZINC000609384201 520300049 /nfs/dbraw/zinc/30/00/49/520300049.db2.gz UYQJFMUPPOPZJA-HNNXBMFYSA-N 1 0 374.466 2.966 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000597922616 520325081 /nfs/dbraw/zinc/32/50/81/520325081.db2.gz JJOROEVSNABDLX-LBPRGKRZSA-N 1 0 370.247 2.960 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@](C)(CO)c1ccccc1 ZINC000609483813 520327003 /nfs/dbraw/zinc/32/70/03/520327003.db2.gz IINSWTSPEUPJPJ-IBGZPJMESA-N 1 0 357.410 2.729 20 5 FFBDRO CC[C@@H]1CN(C(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000592331945 520338588 /nfs/dbraw/zinc/33/85/88/520338588.db2.gz CWKOYDZYFSTGTI-PWSUYJOCSA-N 1 0 353.444 2.525 20 5 FFBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000595223179 520357864 /nfs/dbraw/zinc/35/78/64/520357864.db2.gz QIODIYDSGXDPEG-HNNXBMFYSA-N 1 0 370.453 2.857 20 5 FFBDRO CC(C)[N@H+](C)CC1CCN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC1 ZINC000609560453 520358990 /nfs/dbraw/zinc/35/89/90/520358990.db2.gz YNAMLEKVRFJNPS-UHFFFAOYSA-N 1 0 359.430 2.800 20 5 FFBDRO CCOc1ccc(C(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000595226636 520361002 /nfs/dbraw/zinc/36/10/02/520361002.db2.gz XJIPNZMKKLZWNN-HZPDHXFCSA-N 1 0 361.442 2.988 20 5 FFBDRO [NH3+][C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC[C@H]1F ZINC000595231437 520363803 /nfs/dbraw/zinc/36/38/03/520363803.db2.gz URMXPFOGKLQVKN-NXEZZACHSA-N 1 0 350.272 2.517 20 5 FFBDRO O=C(CCOc1ccccc1[N+](=O)[O-])Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000595256137 520374533 /nfs/dbraw/zinc/37/45/33/520374533.db2.gz BJFGBGJXZPZSHL-SFHVURJKSA-N 1 0 371.393 2.663 20 5 FFBDRO CCN(C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](CC)C1 ZINC000598039032 520389955 /nfs/dbraw/zinc/38/99/55/520389955.db2.gz HOZKSWQBVJYHMD-GFCCVEGCSA-N 1 0 357.357 2.753 20 5 FFBDRO CNc1c(C(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000613234403 520402491 /nfs/dbraw/zinc/40/24/91/520402491.db2.gz HHTMCIOVMBAAKX-INIZCTEOSA-N 1 0 368.437 2.983 20 5 FFBDRO C[NH+](C)CC[C@@H](NC(=O)NCCOc1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000609710181 520413164 /nfs/dbraw/zinc/41/31/64/520413164.db2.gz YENLZYKIRYJLTL-MRXNPFEDSA-N 1 0 366.462 2.639 20 5 FFBDRO CC[C@@H]1CN(C(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000592544333 520451938 /nfs/dbraw/zinc/45/19/38/520451938.db2.gz BWFRAJPOIJRZOF-NQBHXWOUSA-N 1 0 355.822 2.601 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)cc1SC ZINC000592567956 520457892 /nfs/dbraw/zinc/45/78/92/520457892.db2.gz GRIGQGMWCZOAOY-LLVKDONJSA-N 1 0 365.455 2.730 20 5 FFBDRO [NH3+]C[C@H]1c2ccccc2CCN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000592567669 520458517 /nfs/dbraw/zinc/45/85/17/520458517.db2.gz VIHYTJMCFVGSOW-KRWDZBQOSA-N 1 0 357.435 2.772 20 5 FFBDRO C[C@@H](c1ccccc1)[C@@H](CO)[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000613389098 520479149 /nfs/dbraw/zinc/47/91/49/520479149.db2.gz DMUCKWUMWLJELN-SUMWQHHRSA-N 1 0 368.393 2.899 20 5 FFBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000598218574 520501201 /nfs/dbraw/zinc/50/12/01/520501201.db2.gz IIXIFWQNIPYJFP-HNNXBMFYSA-N 1 0 360.458 2.920 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[N@@H+](C2CCCC2)CC1 ZINC000610003953 520503627 /nfs/dbraw/zinc/50/36/27/520503627.db2.gz SOOCSIDCGIBEKS-UHFFFAOYSA-N 1 0 360.458 2.792 20 5 FFBDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000598265347 520529214 /nfs/dbraw/zinc/52/92/14/520529214.db2.gz SGNCOHUQPFKLAD-AWEZNQCLSA-N 1 0 356.426 2.993 20 5 FFBDRO COCC[C@@H]1CCCC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000613503382 520532535 /nfs/dbraw/zinc/53/25/35/520532535.db2.gz QZYJAJBHOCHWDB-YJBOKZPZSA-N 1 0 361.442 2.839 20 5 FFBDRO CCC[N@@H+]1CC[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000598343170 520567067 /nfs/dbraw/zinc/56/70/67/520567067.db2.gz TXAWPDLCWFZPTC-GFCCVEGCSA-N 1 0 370.247 2.500 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000595584472 520570554 /nfs/dbraw/zinc/57/05/54/520570554.db2.gz GLQLXVSSJLMBIU-CQSZACIVSA-N 1 0 368.865 2.963 20 5 FFBDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000604474449 520571880 /nfs/dbraw/zinc/57/18/80/520571880.db2.gz UOJJGRIHUIJPDG-HNNXBMFYSA-N 1 0 371.441 2.775 20 5 FFBDRO C[C@@H]1C[C@@H](NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000610208563 520580184 /nfs/dbraw/zinc/58/01/84/520580184.db2.gz DQOOPSABZHCSHF-YPMHNXCESA-N 1 0 355.822 2.616 20 5 FFBDRO CC[NH+](CC)Cc1ccc(C(=O)NCc2cc([N+](=O)[O-])ccc2OC)o1 ZINC000604506137 520583113 /nfs/dbraw/zinc/58/31/13/520583113.db2.gz IAIKWAUBLNIUTL-UHFFFAOYSA-N 1 0 361.398 2.968 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)c1 ZINC000610298511 520627585 /nfs/dbraw/zinc/62/75/85/520627585.db2.gz WYDHZXGSHSQAEN-INIZCTEOSA-N 1 0 369.421 2.950 20 5 FFBDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000610297750 520628024 /nfs/dbraw/zinc/62/80/24/520628024.db2.gz PUPUABSRTINNGV-OAHLLOKOSA-N 1 0 372.400 2.663 20 5 FFBDRO C[N@@H+]1C[C@@H](CNC(=O)Cc2ccccc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000592883152 520632618 /nfs/dbraw/zinc/63/26/18/520632618.db2.gz XXUAVQBMSFKDJT-MSOLQXFVSA-N 1 0 353.422 2.599 20 5 FFBDRO O=[N+]([O-])c1ccc2nccc(N3CCC[C@@H](C[NH+]4CCOCC4)C3)c2c1 ZINC000601162431 520667470 /nfs/dbraw/zinc/66/74/70/520667470.db2.gz NTZXNDZYXAAMPQ-HNNXBMFYSA-N 1 0 356.426 2.692 20 5 FFBDRO C[C@H](C[NH2+]Cc1csc([N+](=O)[O-])c1)c1ccc(S(C)(=O)=O)cc1 ZINC000601163363 520667724 /nfs/dbraw/zinc/66/77/24/520667724.db2.gz GZGZDDCFRVKKAA-LLVKDONJSA-N 1 0 354.453 2.953 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@H](CCO)C2CCCCC2)c1 ZINC000593019329 520687614 /nfs/dbraw/zinc/68/76/14/520687614.db2.gz AKUAEQRNPNBZME-MRXNPFEDSA-N 1 0 350.415 2.802 20 5 FFBDRO COC(=O)CC1([NH2+]Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])CCCCC1 ZINC000593023447 520689310 /nfs/dbraw/zinc/68/93/10/520689310.db2.gz UJLUAHCYWDNBRX-UHFFFAOYSA-N 1 0 364.398 2.737 20 5 FFBDRO O=C(N1CC[C@H](C[NH+]2CCCC2)C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601213413 520689443 /nfs/dbraw/zinc/68/94/43/520689443.db2.gz CHPXGKAENLHSIW-MRXNPFEDSA-N 1 0 357.454 2.961 20 5 FFBDRO CC(C)c1ccc(C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000598540344 520690759 /nfs/dbraw/zinc/69/07/59/520690759.db2.gz OBLSZMSYCFCZLH-MRXNPFEDSA-N 1 0 363.458 2.901 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[N@@H+](C3CCC3)C[C@@H](C)C2)c1 ZINC000593029621 520692891 /nfs/dbraw/zinc/69/28/91/520692891.db2.gz JCWWMDIQQXQSMZ-AWEZNQCLSA-N 1 0 361.442 2.688 20 5 FFBDRO O=C(CCOc1ccccc1[N+](=O)[O-])NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000598563073 520707944 /nfs/dbraw/zinc/70/79/44/520707944.db2.gz ZYKIENNTZXUVKL-MRXNPFEDSA-N 1 0 361.442 2.602 20 5 FFBDRO CC[C@H]1C[N@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])[C@@H](CC)CO1 ZINC000593059996 520715085 /nfs/dbraw/zinc/71/50/85/520715085.db2.gz VAWQTONCGXKLJK-KBPBESRZSA-N 1 0 365.430 2.821 20 5 FFBDRO CC[C@@H]1CO[C@@H](CC)C[N@@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000593059751 520715350 /nfs/dbraw/zinc/71/53/50/520715350.db2.gz TWSGEXDKMJPDQE-HIFRSBDPSA-N 1 0 363.414 2.782 20 5 FFBDRO CC(C)[C@@H]1CN(C(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000598577824 520721423 /nfs/dbraw/zinc/72/14/23/520721423.db2.gz XZOHYKQLNRWBNM-WBVHZDCISA-N 1 0 374.485 2.901 20 5 FFBDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000595789892 520727166 /nfs/dbraw/zinc/72/71/66/520727166.db2.gz YJEBLZHYXCGISE-MRXNPFEDSA-N 1 0 362.474 2.899 20 5 FFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](n1cncn1)C(F)(F)F ZINC000601293000 520727690 /nfs/dbraw/zinc/72/76/90/520727690.db2.gz AKPMBZUHYAHHCU-BXUZGUMPSA-N 1 0 357.336 2.901 20 5 FFBDRO C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)c3c(F)cccc3[N+](=O)[O-])nc2)C1 ZINC000601354269 520752322 /nfs/dbraw/zinc/75/23/22/520752322.db2.gz LULDGIDZKGGDDL-ZDUSSCGKSA-N 1 0 373.388 2.522 20 5 FFBDRO Cc1ccc([C@@H](C)NC(=O)N2CCN(c3cc[nH+]cc3)CC2)cc1[N+](=O)[O-] ZINC000610597032 520758908 /nfs/dbraw/zinc/75/89/08/520758908.db2.gz NOVHUBOSXXGPGR-OAHLLOKOSA-N 1 0 369.425 2.891 20 5 FFBDRO O=C(N[C@@H]1CCN(c2ccccn2)C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601367628 520759890 /nfs/dbraw/zinc/75/98/90/520759890.db2.gz VHGJTRUEBGEOKA-MRXNPFEDSA-N 1 0 366.421 2.807 20 5 FFBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000595863198 520777290 /nfs/dbraw/zinc/77/72/90/520777290.db2.gz KVDLDDLZKZALRT-UHFFFAOYSA-N 1 0 360.458 2.858 20 5 FFBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000595901450 520807475 /nfs/dbraw/zinc/80/74/75/520807475.db2.gz WHJYQDZABYKXMV-HOCLYGCPSA-N 1 0 360.458 2.633 20 5 FFBDRO CCOc1cc(C(=O)N2[C@H](C)C[N@H+](C)[C@H](C)[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000593187406 520811531 /nfs/dbraw/zinc/81/15/31/520811531.db2.gz KCGOVPXLLHNWAQ-JHJVBQTASA-N 1 0 365.430 2.555 20 5 FFBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000595910753 520815013 /nfs/dbraw/zinc/81/50/13/520815013.db2.gz RFAICJXZRABDOH-ZMYBRWDISA-N 1 0 359.426 2.814 20 5 FFBDRO O=C1[C@H]([N@H+]2C[C@]34COC[C@@]3(C2)CCCC4)CCN1c1cccc([N+](=O)[O-])c1 ZINC000595909278 520815144 /nfs/dbraw/zinc/81/51/44/520815144.db2.gz LDMOJZSHHDKQKT-RLLQIKCJSA-N 1 0 371.437 2.593 20 5 FFBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CC4CC3(C[NH3+])C4)cc2[N+](=O)[O-])C1 ZINC000595944230 520833177 /nfs/dbraw/zinc/83/31/77/520833177.db2.gz FOYIJLJRFUODAV-FXTZWWGYSA-N 1 0 372.469 2.640 20 5 FFBDRO Cc1cc([N+](=O)[O-])nn1Cc1cccc(-c2nc(C3([NH3+])CCCC3)no2)c1 ZINC000593217515 520835254 /nfs/dbraw/zinc/83/52/54/520835254.db2.gz AOCPMMGOAAESHK-UHFFFAOYSA-N 1 0 368.397 2.926 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(C[NH+](C)C)cc2OC)c1 ZINC000601620727 520868959 /nfs/dbraw/zinc/86/89/59/520868959.db2.gz KBYTXGPLXBDQDE-UHFFFAOYSA-N 1 0 359.382 2.926 20 5 FFBDRO COc1ccc([C@H](CNc2cc[nH]c(=O)c2[N+](=O)[O-])[NH+]2CCCC2)cc1 ZINC000596055964 520881975 /nfs/dbraw/zinc/88/19/75/520881975.db2.gz YATATZOITMRTFS-INIZCTEOSA-N 1 0 358.398 2.953 20 5 FFBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596088645 520906058 /nfs/dbraw/zinc/90/60/58/520906058.db2.gz MUMLGSQUTRKNOV-BBRMVZONSA-N 1 0 354.410 2.941 20 5 FFBDRO CC1CC[NH+](C[C@H]2CCCN(c3ccc([N+](=O)[O-])c(C(N)=O)c3)C2)CC1 ZINC000596098130 520911164 /nfs/dbraw/zinc/91/11/64/520911164.db2.gz NSZFHRFPVMNEKX-OAHLLOKOSA-N 1 0 360.458 2.642 20 5 FFBDRO O=[N+]([O-])c1cc(N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)ccc1C(F)(F)F ZINC000596112271 520919412 /nfs/dbraw/zinc/91/94/12/520919412.db2.gz LUCNIVRMTIHCMX-HIFRSBDPSA-N 1 0 359.348 2.649 20 5 FFBDRO NC(=O)c1cc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)ccc1[N+](=O)[O-] ZINC000596112494 520920120 /nfs/dbraw/zinc/92/01/20/520920120.db2.gz QZDJSXXWWMREOK-HNNXBMFYSA-N 1 0 360.458 2.786 20 5 FFBDRO C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)C[N@@H+]1Cc1ccccc1 ZINC000596163477 520947428 /nfs/dbraw/zinc/94/74/28/520947428.db2.gz VMFJCWQTRWNBFJ-XJKSGUPXSA-N 1 0 354.410 2.769 20 5 FFBDRO O=[N+]([O-])c1cncc(Cl)c1N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000596168334 520948209 /nfs/dbraw/zinc/94/82/09/520948209.db2.gz QDUOJYYCEKOQGE-CYBMUJFWSA-N 1 0 354.838 2.724 20 5 FFBDRO COC(=O)c1c(Cl)c(N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000596168164 520948297 /nfs/dbraw/zinc/94/82/97/520948297.db2.gz LVELVCSLTTZFKY-NEPJUHHUSA-N 1 0 367.833 2.955 20 5 FFBDRO CCC[N@H+](C)CC(C)(C)NC(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000596177767 520953204 /nfs/dbraw/zinc/95/32/04/520953204.db2.gz GDGVQPHNUZSEPT-UHFFFAOYSA-N 1 0 352.435 2.523 20 5 FFBDRO COc1ccc(CNc2ccc(C(=O)NCC[NH+](C)C)cc2)cc1[N+](=O)[O-] ZINC000598992178 520963935 /nfs/dbraw/zinc/96/39/35/520963935.db2.gz SQBOTOZKXPXDOO-UHFFFAOYSA-N 1 0 372.425 2.507 20 5 FFBDRO COC(=O)c1c(Cl)c(N(C)CC2([NH+](C)C)CCC2)ccc1[N+](=O)[O-] ZINC000596202075 520967857 /nfs/dbraw/zinc/96/78/57/520967857.db2.gz ANDMHYSNHPIBJW-UHFFFAOYSA-N 1 0 355.822 2.955 20 5 FFBDRO O=[N+]([O-])c1ccc2[nH]c(CN3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)nc2c1 ZINC000618288439 520983584 /nfs/dbraw/zinc/98/35/84/520983584.db2.gz PURCUXIFKJLTOG-FZKQIMNGSA-N 1 0 355.442 2.920 20 5 FFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CO)c1ccnn1C ZINC000599054308 521004217 /nfs/dbraw/zinc/00/42/17/521004217.db2.gz JCAOYLVGMFPVJW-OLZOCXBDSA-N 1 0 350.444 2.522 20 5 FFBDRO COc1cccc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C)cc3)C2)c1[N+](=O)[O-] ZINC000601884404 521005950 /nfs/dbraw/zinc/00/59/50/521005950.db2.gz YBFZGUBEALGMIV-INIZCTEOSA-N 1 0 369.421 2.916 20 5 FFBDRO C[C@@H]1CN(c2ccc3cnccc3c2[N+](=O)[O-])CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000599064217 521009088 /nfs/dbraw/zinc/00/90/88/521009088.db2.gz LDCUISGQIHRWAT-QAPCUYQASA-N 1 0 369.469 2.605 20 5 FFBDRO O=[N+]([O-])c1c2ccncc2ccc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000599072911 521016363 /nfs/dbraw/zinc/01/63/63/521016363.db2.gz BYTXOZUTPJLKQO-OAHLLOKOSA-N 1 0 356.426 2.692 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CC2(C1)CC(F)(F)C2 ZINC000611179680 521025741 /nfs/dbraw/zinc/02/57/41/521025741.db2.gz HKRAWHWNULHSKP-UHFFFAOYSA-N 1 0 355.341 2.663 20 5 FFBDRO CCOC(=O)c1ccnc(NC[C@@H]2CC[N@@H+]2C2CCCCC2)c1[N+](=O)[O-] ZINC000599126986 521043315 /nfs/dbraw/zinc/04/33/15/521043315.db2.gz KTPDVFMWKLGPIR-AWEZNQCLSA-N 1 0 362.430 2.985 20 5 FFBDRO CC1(C)C[NH2+]CC[C@H](NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000601976525 521053711 /nfs/dbraw/zinc/05/37/11/521053711.db2.gz RIXQQTAFOMPLSW-INIZCTEOSA-N 1 0 374.485 2.706 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@@H]3CCOc4ccccc43)CC2)cn1 ZINC000611254454 521059848 /nfs/dbraw/zinc/05/98/48/521059848.db2.gz NHSMOMYAQMEBFU-HNNXBMFYSA-N 1 0 354.410 2.678 20 5 FFBDRO COCC(=O)NC1CC[NH+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000611261334 521064445 /nfs/dbraw/zinc/06/44/45/521064445.db2.gz WTPYLLUODVASOK-UHFFFAOYSA-N 1 0 373.409 2.582 20 5 FFBDRO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CCc3ccc(O)cc3CC1)OCCO2 ZINC000611266629 521066317 /nfs/dbraw/zinc/06/63/17/521066317.db2.gz ZMAPWAUVVSJMPR-UHFFFAOYSA-N 1 0 356.378 2.672 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ccc(CN3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)o2)cc1 ZINC000611268384 521068600 /nfs/dbraw/zinc/06/86/00/521068600.db2.gz DBSUJMUYCVDXHA-RTBURBONSA-N 1 0 371.437 2.886 20 5 FFBDRO CCN(CCC[NH+](C)C)C(=O)c1cccc(Cn2nc([N+](=O)[O-])cc2C)c1 ZINC000593642978 521127062 /nfs/dbraw/zinc/12/70/62/521127062.db2.gz UOQPOJZZCWDUJP-UHFFFAOYSA-N 1 0 373.457 2.562 20 5 FFBDRO COc1cccc2c1OC[C@H]([NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)C2 ZINC000618568626 521128601 /nfs/dbraw/zinc/12/86/01/521128601.db2.gz LPUNSRQTNIPCIV-PMPSAXMXSA-N 1 0 372.425 2.877 20 5 FFBDRO CCOC(=O)c1ccnc(NC[C@H]2CCC[N@H+](CC3CC3)C2)c1[N+](=O)[O-] ZINC000596569610 521137022 /nfs/dbraw/zinc/13/70/22/521137022.db2.gz ACCFMCGFSUUTGX-CQSZACIVSA-N 1 0 362.430 2.700 20 5 FFBDRO COc1cc(C[N@H+](C)[C@H](C)CCO)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000593694492 521162818 /nfs/dbraw/zinc/16/28/18/521162818.db2.gz NJKNAMHSPOLNFU-SNVBAGLBSA-N 1 0 366.336 2.747 20 5 FFBDRO CC(C)(NC(=O)NCc1ccc(C[NH3+])cc1F)c1ccccc1[N+](=O)[O-] ZINC000593725866 521178046 /nfs/dbraw/zinc/17/80/46/521178046.db2.gz ZPOOVZCQLRRRFQ-UHFFFAOYSA-N 1 0 360.389 2.927 20 5 FFBDRO CCOc1cc(N2CC[NH+](C[C@@H](OCC)C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000599390804 521194597 /nfs/dbraw/zinc/19/45/97/521194597.db2.gz QTEVERQHHYAWTI-LJQANCHMSA-N 1 0 363.458 2.931 20 5 FFBDRO C[C@@H]1CC[C@H](C(F)(F)F)C[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000611554932 521217880 /nfs/dbraw/zinc/21/78/80/521217880.db2.gz CJWKJWYKDQNEHI-DYEKYZERSA-N 1 0 362.348 2.997 20 5 FFBDRO CC(C)c1n[nH]c(C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1[N+](=O)[O-] ZINC000611583184 521235908 /nfs/dbraw/zinc/23/59/08/521235908.db2.gz LWRPCQVLPSZLNQ-QWHCGFSZSA-N 1 0 363.462 2.824 20 5 FFBDRO CC[NH+](CC)CCOc1ccc(C(=O)N(C)c2ccc([N+](=O)[O-])nc2)cc1 ZINC000602320348 521278841 /nfs/dbraw/zinc/27/88/41/521278841.db2.gz IBZACVUKOOAQCM-UHFFFAOYSA-N 1 0 372.425 2.987 20 5 FFBDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000602436096 521344616 /nfs/dbraw/zinc/34/46/16/521344616.db2.gz WUAVNQIATXCATM-NXEZZACHSA-N 1 0 356.220 2.557 20 5 FFBDRO CCN(Cc1cn(C)nc1[N+](=O)[O-])[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000602448273 521352310 /nfs/dbraw/zinc/35/23/10/521352310.db2.gz ICMYMDCATPMEAJ-CRAIPNDOSA-N 1 0 357.458 2.986 20 5 FFBDRO CCN(Cc1cn(C)nc1[N+](=O)[O-])[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000602448278 521352377 /nfs/dbraw/zinc/35/23/77/521352377.db2.gz ICMYMDCATPMEAJ-QAPCUYQASA-N 1 0 357.458 2.986 20 5 FFBDRO CC[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@@H]1CCCCO1 ZINC000594040136 521367642 /nfs/dbraw/zinc/36/76/42/521367642.db2.gz DKWKRPYFEKIPSN-ZBFHGGJFSA-N 1 0 365.430 2.869 20 5 FFBDRO CCC1([NH+]2CCOCC2)CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000599668617 521381841 /nfs/dbraw/zinc/38/18/41/521381841.db2.gz IKZLNUJLZSNMCR-UHFFFAOYSA-N 1 0 374.441 2.813 20 5 FFBDRO C[C@H]1CN(c2ccc(C[NH2+]CCc3ccc([N+](=O)[O-])cc3)cn2)CCO1 ZINC000602514307 521389032 /nfs/dbraw/zinc/38/90/32/521389032.db2.gz JGQBEXUMNWTKRH-HNNXBMFYSA-N 1 0 356.426 2.547 20 5 FFBDRO COc1ccc([C@H]2CC[N@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)cc1F ZINC000599677127 521392357 /nfs/dbraw/zinc/39/23/57/521392357.db2.gz HCXPCWCIFHSSSL-AWEZNQCLSA-N 1 0 373.384 2.831 20 5 FFBDRO [NH3+]Cc1ccc(CNC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)c(F)c1 ZINC000602519150 521393114 /nfs/dbraw/zinc/39/31/14/521393114.db2.gz WOZJKIZZONBSEE-UHFFFAOYSA-N 1 0 357.385 2.931 20 5 FFBDRO O=C(N[C@H]1CC[NH2+]C12CCC2)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000602534868 521398532 /nfs/dbraw/zinc/39/85/32/521398532.db2.gz UPJRRBRGCHSLAK-AWEZNQCLSA-N 1 0 358.423 2.733 20 5 FFBDRO CC(C)(C(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC000602540170 521402546 /nfs/dbraw/zinc/40/25/46/521402546.db2.gz JZZHEHOEHJBWCE-RISCZKNCSA-N 1 0 373.375 2.858 20 5 FFBDRO Cc1nc(C)c(CC[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)s1 ZINC000602548758 521406381 /nfs/dbraw/zinc/40/63/81/521406381.db2.gz PTXRLQXJQYVYOF-UHFFFAOYSA-N 1 0 361.471 2.864 20 5 FFBDRO CCO[C@@H](CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C(C)C ZINC000602569699 521415275 /nfs/dbraw/zinc/41/52/75/521415275.db2.gz RLWYSQQFEVFTRD-KRWDZBQOSA-N 1 0 350.463 2.999 20 5 FFBDRO C[C@@H](CO[C@H]1CCOC1)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602572381 521416581 /nfs/dbraw/zinc/41/65/81/521416581.db2.gz YWJCCXMKEVJMBJ-IUCAKERBSA-N 1 0 365.249 2.702 20 5 FFBDRO COc1ccc2c(c1)OC[C@@H]([NH2+]Cc1nc3cc([N+](=O)[O-])ccc3o1)C2 ZINC000602576462 521419779 /nfs/dbraw/zinc/41/97/79/521419779.db2.gz CGEWRVLQMIWKKG-LBPRGKRZSA-N 1 0 355.350 2.838 20 5 FFBDRO C[C@@]1(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCO[C@@H]1C1CC1 ZINC000602612044 521437825 /nfs/dbraw/zinc/43/78/25/521437825.db2.gz RADHMUTZPCZJRN-MOPGFXCFSA-N 1 0 360.458 2.753 20 5 FFBDRO [NH3+]C[C@H]1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])c2ccccc21 ZINC000602621666 521441856 /nfs/dbraw/zinc/44/18/56/521441856.db2.gz IMVLDLFSWDVFOW-CQSZACIVSA-N 1 0 355.394 2.843 20 5 FFBDRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000594198651 521464450 /nfs/dbraw/zinc/46/44/50/521464450.db2.gz UIHDLABNHTWJSU-CHWSQXEVSA-N 1 0 369.368 2.943 20 5 FFBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2ccncc2OC[C@H]2CCOC2)cc1 ZINC000602661669 521466245 /nfs/dbraw/zinc/46/62/45/521466245.db2.gz HRQSPQNPWCIQDR-INIZCTEOSA-N 1 0 357.410 2.737 20 5 FFBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594204005 521469080 /nfs/dbraw/zinc/46/90/80/521469080.db2.gz WJHNFRMIFVCGLA-FUHWJXTLSA-N 1 0 356.426 2.683 20 5 FFBDRO CC(C)(C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C1(O)CCCC1 ZINC000602681889 521476645 /nfs/dbraw/zinc/47/66/45/521476645.db2.gz OFNXALIHUBPLKF-UHFFFAOYSA-N 1 0 362.474 2.880 20 5 FFBDRO CC(C)[C@H](CO)[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C(C)C ZINC000602685887 521478494 /nfs/dbraw/zinc/47/84/94/521478494.db2.gz SQZXJVSDQUHAMK-HKUYNNGSSA-N 1 0 364.490 2.837 20 5 FFBDRO Nc1c(NC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cc(Cl)cc1[N+](=O)[O-] ZINC000597091638 521497988 /nfs/dbraw/zinc/49/79/88/521497988.db2.gz AWCNSTYSFNXMFT-GFCCVEGCSA-N 1 0 367.837 2.923 20 5 FFBDRO C[C@@H](c1ccccc1)[C@@H](O)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602724657 521498413 /nfs/dbraw/zinc/49/84/13/521498413.db2.gz UNVJDZWLJHXFDI-KXBFYZLASA-N 1 0 370.453 2.713 20 5 FFBDRO C[C@H](NC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N)C1CC[NH+](C)CC1 ZINC000597104625 521508624 /nfs/dbraw/zinc/50/86/24/521508624.db2.gz SPIAJJUYFRYBKY-VIFPVBQESA-N 1 0 355.826 2.682 20 5 FFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCCc2c1cnn2CCO ZINC000615720640 521513449 /nfs/dbraw/zinc/51/34/49/521513449.db2.gz ZSPPAZDICIGKBJ-RXEWJAMOSA-N 1 0 356.426 2.854 20 5 FFBDRO COc1c(C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cccc1[N+](=O)[O-] ZINC000619442455 521570528 /nfs/dbraw/zinc/57/05/28/521570528.db2.gz VNIXBDCAZMXSLA-UONOGXRCSA-N 1 0 361.442 2.986 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ccc(CN3CCC([N@@H+]4CC[C@H](O)C4)CC3)o2)cc1 ZINC000597234452 521588495 /nfs/dbraw/zinc/58/84/95/521588495.db2.gz AERYGFQZENEDDZ-SFHVURJKSA-N 1 0 371.437 2.886 20 5 FFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)cc1 ZINC000616013953 521603990 /nfs/dbraw/zinc/60/39/90/521603990.db2.gz JQJYVRRNTPINSZ-CTNGQTDRSA-N 1 0 369.465 2.610 20 5 FFBDRO CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000619804705 521880405 /nfs/dbraw/zinc/88/04/05/521880405.db2.gz AKSZWATUOFPAJD-KRWDZBQOSA-N 1 0 370.457 2.938 20 5 FFBDRO C[NH+](C)Cc1cc(CNc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])ccc1F ZINC000736771155 599058271 /nfs/dbraw/zinc/05/82/71/599058271.db2.gz ILONGPIDKPNMGC-UHFFFAOYSA-N 1 0 371.376 2.588 20 5 FFBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](C3CCCCC3)CC2)c(-c2nn[nH]n2)c1 ZINC000823639696 606142989 /nfs/dbraw/zinc/14/29/89/606142989.db2.gz FTMLBUZSBOJLGP-UHFFFAOYSA-N 1 0 371.445 2.984 20 5 FFBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]Cc2ccc(-c3nn[nH]n3)s2)cc1 ZINC000823635012 606425288 /nfs/dbraw/zinc/42/52/88/606425288.db2.gz PNQCFTONIJLETP-UHFFFAOYSA-N 1 0 358.427 2.949 20 5 FFBDRO C[NH+](C)[C@H](CNc1ccc(-c2nn[nH]n2)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000821581885 606645529 /nfs/dbraw/zinc/64/55/29/606645529.db2.gz XKJOUDKYLHETQP-MRXNPFEDSA-N 1 0 371.376 2.629 20 5 FFBDRO [NH3+]C1([C@H]2CN(C(F)(F)c3cnc(Cl)c([N+](=O)[O-])c3)C[C@@H]2CF)CC1 ZINC001164629940 719115233 /nfs/dbraw/zinc/11/52/33/719115233.db2.gz UKKXDYOMMUYMAC-WPRPVWTQSA-N 1 0 364.755 2.701 20 5 FFBDRO [NH3+]C1([C@H]2CN(C(F)(F)c3ccc([N+](=O)[O-])c(Cl)n3)C[C@@H]2CF)CC1 ZINC001164628855 719116936 /nfs/dbraw/zinc/11/69/36/719116936.db2.gz PBFYZOMLCVHQBC-IUCAKERBSA-N 1 0 364.755 2.701 20 5 FFBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164723565 720350162 /nfs/dbraw/zinc/35/01/62/720350162.db2.gz HYBPQQIBCATRMQ-ZIAGYGMSSA-N 1 0 374.832 2.595 20 5 FFBDRO O=[N+]([O-])c1cccc2ccc(N3CC[NH+](CCc4ccccn4)CC3)nc21 ZINC001165053878 722011793 /nfs/dbraw/zinc/01/17/93/722011793.db2.gz OECZWOWSELBHGU-UHFFFAOYSA-N 1 0 363.421 2.903 20 5 FFBDRO C[C@H]1SCCN(CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)[C@H]1C ZINC000154754641 728811086 /nfs/dbraw/zinc/81/10/86/728811086.db2.gz QOXIFKSGUAYVEA-QWHCGFSZSA-N 1 0 350.444 2.620 20 5 FFBDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000746571203 735494532 /nfs/dbraw/zinc/49/45/32/735494532.db2.gz UHUJBHSOKUMSFS-AWEZNQCLSA-N 1 0 369.849 2.821 20 5 FFBDRO CON(C)C(=O)[C@H](CCSC)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000090462524 728450871 /nfs/dbraw/zinc/45/08/71/728450871.db2.gz ACLFSOQVTBENRW-OCCSQVGLSA-N 1 0 355.460 2.695 20 5 FFBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H](O)COCc1ccco1 ZINC000120764892 728615060 /nfs/dbraw/zinc/61/50/60/728615060.db2.gz CTWGCJVNRMFIBV-CQSZACIVSA-N 1 0 354.790 2.851 20 5 FFBDRO CC[NH+](CC)CCC[C@H](C)Nc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000123299897 728657260 /nfs/dbraw/zinc/65/72/60/728657260.db2.gz DPVCBWJEXZKHIT-LBPRGKRZSA-N 1 0 350.419 2.848 20 5 FFBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000175807453 729102214 /nfs/dbraw/zinc/10/22/14/729102214.db2.gz RSKZEGQHJKYGCA-NSHDSACASA-N 1 0 352.391 2.518 20 5 FFBDRO C[C@H](CNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000778695111 738405525 /nfs/dbraw/zinc/40/55/25/738405525.db2.gz IJURVEGOSWNNAM-CYBMUJFWSA-N 1 0 368.865 2.964 20 5 FFBDRO CCC[N@H+](C)CC(C)(C)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC000857677528 730406028 /nfs/dbraw/zinc/40/60/28/730406028.db2.gz OVDGVWUPQAFMID-UHFFFAOYSA-N 1 0 352.391 2.662 20 5 FFBDRO O=[N+]([O-])c1ccc(Br)c2c1CN(c1cc[nH+]c(CO)c1)CC2 ZINC000858532485 730428268 /nfs/dbraw/zinc/42/82/68/730428268.db2.gz KUTGTCMMPQVWAN-UHFFFAOYSA-N 1 0 364.199 2.807 20 5 FFBDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000859901237 730468813 /nfs/dbraw/zinc/46/88/13/730468813.db2.gz JPTCFXOKEKWXAP-QWRGUYRKSA-N 1 0 370.247 2.960 20 5 FFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@](C)(O)c1ccsc1 ZINC000766133061 737199416 /nfs/dbraw/zinc/19/94/16/737199416.db2.gz DGIPMYJTEBSQQZ-YVEFUNNKSA-N 1 0 363.439 2.871 20 5 FFBDRO C[NH+](C)[C@H](CNC(=O)Cc1cccc(F)c1[N+](=O)[O-])c1cccs1 ZINC000864515055 730855517 /nfs/dbraw/zinc/85/55/17/730855517.db2.gz FNCPOGSXOAQFJP-CYBMUJFWSA-N 1 0 351.403 2.757 20 5 FFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC(C)(C)C1(O)CCOCC1 ZINC000866377203 731053319 /nfs/dbraw/zinc/05/33/19/731053319.db2.gz TZERDPBOYRLKJN-ZDUSSCGKSA-N 1 0 354.422 2.822 20 5 FFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H](n1cncn1)C(F)(F)F ZINC000866435798 731060119 /nfs/dbraw/zinc/06/01/19/731060119.db2.gz GNPVVITVDMNKET-TVQRCGJNSA-N 1 0 361.299 2.650 20 5 FFBDRO CSC1(CNC(=O)NCc2ccc(C)c([N+](=O)[O-])c2)CC[NH+](C)CC1 ZINC000868625731 731312977 /nfs/dbraw/zinc/31/29/77/731312977.db2.gz NHRSLVNOBVKDMB-UHFFFAOYSA-N 1 0 366.487 2.530 20 5 FFBDRO Cc1c(CNC(=O)c2csc(C3CC[NH2+]CC3)n2)cccc1[N+](=O)[O-] ZINC000870928433 731576777 /nfs/dbraw/zinc/57/67/77/731576777.db2.gz WEJJGSAZHRIHSH-UHFFFAOYSA-N 1 0 360.439 2.757 20 5 FFBDRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000870974458 731582429 /nfs/dbraw/zinc/58/24/29/731582429.db2.gz JQDYCMMFOXLTNU-YHPBZONMSA-N 1 0 357.332 2.874 20 5 FFBDRO CC[C@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC)C(=O)N1CCOCC1 ZINC000872040729 731723515 /nfs/dbraw/zinc/72/35/15/731723515.db2.gz BRXMNKCXVYRUAQ-WFASDCNBSA-N 1 0 367.471 2.605 20 5 FFBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1CCCCS1(=O)=O ZINC000872059658 731725206 /nfs/dbraw/zinc/72/52/06/731725206.db2.gz HCOAQSQBJOHHED-AAEUAGOBSA-N 1 0 358.485 2.935 20 5 FFBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](C)C1(S(C)(=O)=O)CC1 ZINC000872071790 731726767 /nfs/dbraw/zinc/72/67/67/731726767.db2.gz XOZXWCRTXIPACX-MNOVXSKESA-N 1 0 358.485 2.933 20 5 FFBDRO COc1cc(F)c([N+](=O)[O-])c(N2C[C@@H](SC)[C@H]([NH+]3CCCC3)C2)c1 ZINC000780583690 738558716 /nfs/dbraw/zinc/55/87/16/738558716.db2.gz USZXTFYECXSRSO-HUUCEWRRSA-N 1 0 355.435 2.759 20 5 FFBDRO CCCS(=O)(=O)NC1CC[NH+](Cc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000876569792 732257977 /nfs/dbraw/zinc/25/79/77/732257977.db2.gz LOGJDRSLMVJRNQ-UHFFFAOYSA-N 1 0 369.487 2.505 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](CCO)CCOCC(F)(F)F ZINC000876721660 732272248 /nfs/dbraw/zinc/27/22/48/732272248.db2.gz KZTSSLAWGVPFIZ-UHFFFAOYSA-N 1 0 350.337 2.585 20 5 FFBDRO [NH3+]CC12CCC(CC1)N2C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000877187457 732332685 /nfs/dbraw/zinc/33/26/85/732332685.db2.gz SHNHIZWLICMAIC-UHFFFAOYSA-N 1 0 355.847 2.823 20 5 FFBDRO O=[N+]([O-])c1ccc2oc(CNCCOC(F)(F)C(F)(F)F)nc2c1 ZINC000877807930 732437765 /nfs/dbraw/zinc/43/77/65/732437765.db2.gz VCAICVXFXNYLMX-UHFFFAOYSA-N 1 0 355.219 2.997 20 5 FFBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879575732 732727252 /nfs/dbraw/zinc/72/72/52/732727252.db2.gz MYBKEAHCKURVSS-HSMVNMDESA-N 1 0 366.849 2.601 20 5 FFBDRO Cc1csc([C@H]2CC[N@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000880005886 732817304 /nfs/dbraw/zinc/81/73/04/732817304.db2.gz DSSVFENLICQCFG-DZGCQCFKSA-N 1 0 363.439 2.589 20 5 FFBDRO CO[C@@]1(C(F)(F)F)CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000880304951 732883682 /nfs/dbraw/zinc/88/36/82/732883682.db2.gz UKWFVAUJDDFKNJ-AWEZNQCLSA-N 1 0 361.320 2.577 20 5 FFBDRO O=C(NCc1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CCC[N@@H+]1C1CC1 ZINC000881865511 733123062 /nfs/dbraw/zinc/12/30/62/733123062.db2.gz XPEAEZVUYUFVLQ-ZDUSSCGKSA-N 1 0 368.231 2.600 20 5 FFBDRO C[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)CC[N@@H+]1CC(C)(C)O ZINC000782031806 738681735 /nfs/dbraw/zinc/68/17/35/738681735.db2.gz MBGRYHWJULIUBJ-NSHDSACASA-N 1 0 370.837 2.557 20 5 FFBDRO CC1(C)O[C@@H]2C[C@@H]([NH2+][C@H]3CCCC[C@@H]3n3ccc([N+](=O)[O-])n3)C[C@@H]2O1 ZINC000927056603 738686803 /nfs/dbraw/zinc/68/68/03/738686803.db2.gz LCWXHLAHWPLFGW-YYFQZIEXSA-N 1 0 350.419 2.547 20 5 FFBDRO CCOc1ccc([C@@H](C)[NH2+]CC[C@H]2CCCS2(=O)=O)cc1[N+](=O)[O-] ZINC000883307000 733365300 /nfs/dbraw/zinc/36/53/00/733365300.db2.gz JYPNGSGVNYGXML-TZMCWYRMSA-N 1 0 356.444 2.611 20 5 FFBDRO CC(C)[NH2+]C1(CO)CCN(c2cccc(C(F)(F)F)c2[N+](=O)[O-])CC1 ZINC000884520479 733534538 /nfs/dbraw/zinc/53/45/38/733534538.db2.gz WPQLNVDOAXDHCU-UHFFFAOYSA-N 1 0 361.364 2.943 20 5 FFBDRO C[N@@H+]1C[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)C[C@]2(C)C1 ZINC000887925700 733993629 /nfs/dbraw/zinc/99/36/29/733993629.db2.gz QGPACUUBNUISFF-BMIGLBTASA-N 1 0 357.332 2.637 20 5 FFBDRO CCCN(C(=O)Nc1ccc([N+](=O)[O-])c(OCC)c1)[C@H]1CC[N@H+](C)C1 ZINC000888831332 734103501 /nfs/dbraw/zinc/10/35/01/734103501.db2.gz JCGFAXFGKMWVCM-AWEZNQCLSA-N 1 0 350.419 2.942 20 5 FFBDRO C[NH+]1CCC2(CCN2C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000889220425 734153692 /nfs/dbraw/zinc/15/36/92/734153692.db2.gz XNGZSFHUHXZBOE-UHFFFAOYSA-N 1 0 351.834 2.878 20 5 FFBDRO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(Cl)c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000783573751 738815875 /nfs/dbraw/zinc/81/58/75/738815875.db2.gz KUOJVRXBYGLFIX-RHSMWYFYSA-N 1 0 366.893 2.706 20 5 FFBDRO CC1(C)C[NH2+]CC[C@@H](NC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000891668384 734459896 /nfs/dbraw/zinc/45/98/96/734459896.db2.gz MYNRCPQEXWVJBR-GFCCVEGCSA-N 1 0 354.838 2.826 20 5 FFBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N1CC[NH2+]CCC12CCC2 ZINC000891669440 734459912 /nfs/dbraw/zinc/45/99/12/734459912.db2.gz VTNRVVXYHDBUJO-UHFFFAOYSA-N 1 0 352.822 2.676 20 5 FFBDRO CC[NH+](CC)CCN(CCOC)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000729660018 734589492 /nfs/dbraw/zinc/58/94/92/734589492.db2.gz MBUSCKOXAONVAA-UHFFFAOYSA-N 1 0 357.838 2.679 20 5 FFBDRO O=[N+]([O-])c1ccc(Br)c2c1CN(c1cc[nH+]cc1CO)CC2 ZINC000893733834 734744183 /nfs/dbraw/zinc/74/41/83/734744183.db2.gz BJOWTJZYPGJACA-UHFFFAOYSA-N 1 0 364.199 2.807 20 5 FFBDRO COc1c(O)ccc(CN(CC[NH+](C)C)Cc2cccs2)c1[N+](=O)[O-] ZINC000894465936 734863219 /nfs/dbraw/zinc/86/32/19/734863219.db2.gz VBAZUFMBIBNBDQ-UHFFFAOYSA-N 1 0 365.455 2.934 20 5 FFBDRO Cc1ccc(N2CCC(O)(C[NH+](C)C)CC2)c([N+](=O)[O-])c1Br ZINC000894954996 734943072 /nfs/dbraw/zinc/94/30/72/734943072.db2.gz FYQONEOMYDDIQK-UHFFFAOYSA-N 1 0 372.263 2.559 20 5 FFBDRO O=C1N(CC[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]2CCCCN12 ZINC000895341217 734993099 /nfs/dbraw/zinc/99/30/99/734993099.db2.gz GHOYZBWNMPPLMF-AWEZNQCLSA-N 1 0 352.822 2.628 20 5 FFBDRO C[N@@H+]1CCC[C@H](NC(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)C1 ZINC000895835053 735061466 /nfs/dbraw/zinc/06/14/66/735061466.db2.gz XOJYPLCPRGOFGL-ZETCQYMHSA-N 1 0 350.177 2.865 20 5 FFBDRO CC[C@H](C(=O)OCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[NH+](CC)CC ZINC000741032825 735111674 /nfs/dbraw/zinc/11/16/74/735111674.db2.gz NSFSRAYQBVTUAS-CYBMUJFWSA-N 1 0 371.821 2.850 20 5 FFBDRO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000741242683 735126751 /nfs/dbraw/zinc/12/67/51/735126751.db2.gz RKYACTZMJFMAGQ-LBPRGKRZSA-N 1 0 353.394 2.689 20 5 FFBDRO O=[N+]([O-])c1sc(C[NH2+]CC2CC3(C2)OCCO3)cc1Br ZINC000896909101 735187880 /nfs/dbraw/zinc/18/78/80/735187880.db2.gz PRCGJLCNMTZZGT-UHFFFAOYSA-N 1 0 363.233 2.662 20 5 FFBDRO CC(C)(C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C1CCOCC1 ZINC000897450259 735235878 /nfs/dbraw/zinc/23/58/78/735235878.db2.gz BEAPKGGHMUYLIM-UHFFFAOYSA-N 1 0 350.415 2.908 20 5 FFBDRO CS[C@H]1CN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C[C@H]1[NH+](C)C ZINC000901230423 735759100 /nfs/dbraw/zinc/75/91/00/735759100.db2.gz PMBDAKDRSIOKIQ-NEPJUHHUSA-N 1 0 361.826 2.505 20 5 FFBDRO COc1cc([C@@H](C)[NH2+]CC2C[C@H]3CC[C@@H](C2)S3(=O)=O)cc([N+](=O)[O-])c1 ZINC000903216537 736056829 /nfs/dbraw/zinc/05/68/29/736056829.db2.gz CRYCJEARDDNGRP-CLFSLDGBSA-N 1 0 368.455 2.610 20 5 FFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC[C@H]1CC(=O)N(C)C1 ZINC000903216233 736056833 /nfs/dbraw/zinc/05/68/33/736056833.db2.gz XJCMARMKIAHMAI-KBPBESRZSA-N 1 0 351.472 2.924 20 5 FFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC1(C2(O)CCOCC2)CC1 ZINC000903346512 736078285 /nfs/dbraw/zinc/07/82/85/736078285.db2.gz KSRZQBKQIFYFBJ-CYBMUJFWSA-N 1 0 352.406 2.576 20 5 FFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCOC2CCSCC2)n1 ZINC000903446155 736095854 /nfs/dbraw/zinc/09/58/54/736095854.db2.gz MWKDPLRHWVIGEX-CABCVRRESA-N 1 0 354.476 2.777 20 5 FFBDRO COc1cc(CNCCC(C)(C)[NH3+])c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000903938938 736191152 /nfs/dbraw/zinc/19/11/52/736191152.db2.gz QQCAMDZYYWMQPD-UHFFFAOYSA-N 1 0 365.352 2.762 20 5 FFBDRO C[C@@H]1CCC[N@H+](CCNC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000756919321 736373355 /nfs/dbraw/zinc/37/33/55/736373355.db2.gz ADRMRXQIABYIDE-GFCCVEGCSA-N 1 0 354.838 2.779 20 5 FFBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cccc([N+](=O)[O-])c2Br)C[C@@H]1C ZINC000758905891 736530959 /nfs/dbraw/zinc/53/09/59/736530959.db2.gz XSWFEOQEBHEQQW-WDEREUQCSA-N 1 0 370.247 2.912 20 5 FFBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC000906969756 736566652 /nfs/dbraw/zinc/56/66/52/736566652.db2.gz BETJTCRYMZUSDD-MEDUHNTESA-N 1 0 351.834 2.780 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(C2(C)OCCO2)CC1 ZINC000760898669 736678456 /nfs/dbraw/zinc/67/84/56/736678456.db2.gz LPVDWKFTMHKZIP-UHFFFAOYSA-N 1 0 350.415 2.969 20 5 FFBDRO CC[N@@H+]1CCCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000910282082 737052606 /nfs/dbraw/zinc/05/26/06/737052606.db2.gz RSAJGDAMTYSWFD-LLVKDONJSA-N 1 0 370.247 2.914 20 5 FFBDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)CCc3ccc([N+](=O)[O-])cc3Cl)[C@@H]2C1 ZINC000911302543 737191373 /nfs/dbraw/zinc/19/13/73/737191373.db2.gz POYFLTUTGMYVHZ-XJKSGUPXSA-N 1 0 351.834 2.733 20 5 FFBDRO CC(C)c1n[nH]c(C(=O)N2CCCC[C@H]2[C@H](C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000912810576 737342750 /nfs/dbraw/zinc/34/27/50/737342750.db2.gz WIUBJKPXKKSNNK-OLZOCXBDSA-N 1 0 351.451 2.634 20 5 FFBDRO CN(CC[N@H+](C)C1CCCCC1)S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768808553 737460591 /nfs/dbraw/zinc/46/05/91/737460591.db2.gz FHSJKPGHRUFZFT-UHFFFAOYSA-N 1 0 361.489 2.541 20 5 FFBDRO CC[N@@H+]1CCC[C@@H]1CNC(=S)NNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000916022618 737672713 /nfs/dbraw/zinc/67/27/13/737672713.db2.gz MFPZNPOMVCACAO-LLVKDONJSA-N 1 0 357.867 2.524 20 5 FFBDRO Cc1cc(S(=O)(=O)NCC(C)(C)[NH+]2CCCCC2)cc([N+](=O)[O-])c1F ZINC000771732473 737750620 /nfs/dbraw/zinc/75/06/20/737750620.db2.gz XXVCRZNSWMVMKF-UHFFFAOYSA-N 1 0 373.450 2.585 20 5 FFBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+]C1CCCCCCC1 ZINC000773008324 737863156 /nfs/dbraw/zinc/86/31/56/737863156.db2.gz KDWSTBFZFCRIFC-UHFFFAOYSA-N 1 0 355.460 2.576 20 5 FFBDRO CC[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[C@H](O)C(F)(F)F ZINC000773129370 737874109 /nfs/dbraw/zinc/87/41/09/737874109.db2.gz FNEISLJYWXSLBG-CABCVRRESA-N 1 0 361.364 2.855 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])c(N2C[C@@H](SC)[C@@H]([NH+](C)C)C2)cc1Cl ZINC000774535646 737998695 /nfs/dbraw/zinc/99/86/95/737998695.db2.gz CIGSMOVLBRHYMH-UONOGXRCSA-N 1 0 373.862 2.517 20 5 FFBDRO CS[C@@H]1CN(c2ccc([N+](=O)[O-])cc2Br)C[C@@H]1[NH+](C)C ZINC000774536943 737998743 /nfs/dbraw/zinc/99/87/43/737998743.db2.gz QEYNGOKEOORYJO-QWHCGFSZSA-N 1 0 360.277 2.839 20 5 FFBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 ZINC000774639565 738008220 /nfs/dbraw/zinc/00/82/20/738008220.db2.gz LVKWPAHTVXCFTA-WBMJQRKESA-N 1 0 363.849 2.972 20 5 FFBDRO COc1cc(C[NH2+]C[C@H]2CC[C@H](C(F)(F)F)O2)c([N+](=O)[O-])cc1OC ZINC000922461234 738149003 /nfs/dbraw/zinc/14/90/03/738149003.db2.gz KJMSYBJWUBWGSK-QMTHXVAHSA-N 1 0 364.320 2.812 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+][C@H]2CCS[C@H](C)C2)cc1[N+](=O)[O-] ZINC000922835816 738207676 /nfs/dbraw/zinc/20/76/76/738207676.db2.gz FSXYGAQPRHRSTP-YPMHNXCESA-N 1 0 354.428 2.520 20 5 FFBDRO CC(C)(C)[N@@H+]1CCCN(C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CC1 ZINC000778253696 738367082 /nfs/dbraw/zinc/36/70/82/738367082.db2.gz SEVJQERLRIUYJS-UHFFFAOYSA-N 1 0 363.443 2.546 20 5 FFBDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000785985097 739016775 /nfs/dbraw/zinc/01/67/75/739016775.db2.gz UMXWQNUBEVVIDX-CYBMUJFWSA-N 1 0 353.850 2.933 20 5 FFBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H](C[NH+](C)C)C(C)C ZINC000786159019 739029921 /nfs/dbraw/zinc/02/99/21/739029921.db2.gz KANDZWDPZUHPEL-AWEZNQCLSA-N 1 0 372.263 2.982 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000930882468 739177336 /nfs/dbraw/zinc/17/73/36/739177336.db2.gz LIWPNZKIHOQQQN-CABCVRRESA-N 1 0 350.444 2.605 20 5 FFBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)C1 ZINC000931610744 739297417 /nfs/dbraw/zinc/29/74/17/739297417.db2.gz QLRXDUGWLDVMPV-ZDUSSCGKSA-N 1 0 350.394 2.930 20 5 FFBDRO COCCC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2SC)CC1 ZINC000931628813 739300016 /nfs/dbraw/zinc/30/00/16/739300016.db2.gz SBFRCUCZEHBXIA-UHFFFAOYSA-N 1 0 367.471 2.547 20 5 FFBDRO COc1ccc(C[NH2+]C/C=C/CNC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000789864651 739392140 /nfs/dbraw/zinc/39/21/40/739392140.db2.gz XPDMJWLEZWBNHN-AATRIKPKSA-N 1 0 351.403 2.774 20 5 FFBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@H]2CCOc3ccc(Br)cc32)n1 ZINC000932209567 739405873 /nfs/dbraw/zinc/40/58/73/739405873.db2.gz VBDSFDHGSNAUCV-LBPRGKRZSA-N 1 0 367.203 2.667 20 5 FFBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC(Cc3nc4c(s3)CCC4)CC2)c1 ZINC000932626143 739480524 /nfs/dbraw/zinc/48/05/24/739480524.db2.gz PUYFSTCWZOECLX-UHFFFAOYSA-N 1 0 361.471 2.691 20 5 FFBDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000791335176 739549031 /nfs/dbraw/zinc/54/90/31/739549031.db2.gz CTJRHDPTBADDBP-LLVKDONJSA-N 1 0 352.410 2.556 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)CCc2cc(F)ccc2[N+](=O)[O-])C[C@H]1C ZINC000933368812 739611154 /nfs/dbraw/zinc/61/11/54/739611154.db2.gz LFUONBXSXPSPMP-CZUORRHYSA-N 1 0 351.422 2.998 20 5 FFBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC000935151678 739903430 /nfs/dbraw/zinc/90/34/30/739903430.db2.gz OREJHJAXZXTJCW-SECBINFHSA-N 1 0 372.828 2.772 20 5 FFBDRO C[C@@H](NS(=O)(=O)c1csc([N+](=O)[O-])c1)[C@H](c1ccccc1)[NH+](C)C ZINC000795165714 739977921 /nfs/dbraw/zinc/97/79/21/739977921.db2.gz YZIWBDVUDOQDGC-IAQYHMDHSA-N 1 0 369.468 2.626 20 5 FFBDRO COC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000797520939 740253206 /nfs/dbraw/zinc/25/32/06/740253206.db2.gz RAKWBEJYTQQTDD-JSGCOSHPSA-N 1 0 351.403 2.560 20 5 FFBDRO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N(C)CCC[NH+]1CCCC1 ZINC000798404126 740329013 /nfs/dbraw/zinc/32/90/13/740329013.db2.gz KMJNYFXYPXQLTJ-UHFFFAOYSA-N 1 0 353.394 2.833 20 5 FFBDRO COC(=O)C[C@@H]([NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1)C1CC1 ZINC000801539148 740628837 /nfs/dbraw/zinc/62/88/37/740628837.db2.gz CCAFDEGIQFWNCU-GFCCVEGCSA-N 1 0 357.204 2.789 20 5 FFBDRO CC(C)OC[C@H](CO)[N@H+](C)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000801551591 740629663 /nfs/dbraw/zinc/62/96/63/740629663.db2.gz OVNZKMYTYHMACL-LBPRGKRZSA-N 1 0 361.236 2.575 20 5 FFBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000804775277 740903440 /nfs/dbraw/zinc/90/34/40/740903440.db2.gz BIRHWTUBVXTEMV-LBPRGKRZSA-N 1 0 357.813 2.920 20 5 FFBDRO C[C@@H]1CCC[C@H](C)[N@H+]1CC(N)=NOCCOc1ccccc1[N+](=O)[O-] ZINC000809374318 741302828 /nfs/dbraw/zinc/30/28/28/741302828.db2.gz IKMGJQMNKIECMC-OKILXGFUSA-N 1 0 350.419 2.735 20 5 FFBDRO C[C@@H]1C[N@@H+](CCCNC(=O)Nc2cccc([N+](=O)[O-])c2Cl)C[C@H](C)O1 ZINC000809916073 741360492 /nfs/dbraw/zinc/36/04/92/741360492.db2.gz GAMCGHLKTNJBOL-TXEJJXNPSA-N 1 0 370.837 2.869 20 5 FFBDRO CCOc1cc(CON=C(N)C[N@@H+]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000809996147 741371373 /nfs/dbraw/zinc/37/13/73/741371373.db2.gz UTWRFFGQQABZRA-CYBMUJFWSA-N 1 0 350.419 2.866 20 5 FFBDRO Cc1c(C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000811601142 741542074 /nfs/dbraw/zinc/54/20/74/741542074.db2.gz RATHBQGIWAVFAF-JTQLQIEISA-N 1 0 352.391 2.578 20 5 FFBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000818000131 742227897 /nfs/dbraw/zinc/22/78/97/742227897.db2.gz HEHWEIMFVNRPRS-IAQYHMDHSA-N 1 0 369.824 2.920 20 5 FFBDRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000818011317 742229866 /nfs/dbraw/zinc/22/98/66/742229866.db2.gz XTHNRXGWBBRFPA-GOEBONIOSA-N 1 0 367.833 2.607 20 5 FFBDRO [NH3+][C@H]1CCCc2cn(Cc3ccc(Br)c([N+](=O)[O-])c3)nc21 ZINC000818617621 742284339 /nfs/dbraw/zinc/28/43/39/742284339.db2.gz DSQGCUWJTRCADB-LBPRGKRZSA-N 1 0 351.204 2.938 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2CCOC3(CCSCC3)C2)cc1 ZINC000819179387 742348787 /nfs/dbraw/zinc/34/87/87/742348787.db2.gz NMEPBMVDDGKKBL-GDBMZVCRSA-N 1 0 352.456 2.663 20 5 FFBDRO O=C(NCC1([NH+]2CCSCC2)CCCC1)c1cc([N+](=O)[O-])ccc1F ZINC000821893685 742676141 /nfs/dbraw/zinc/67/61/41/742676141.db2.gz UZKHLAQWAILWEZ-UHFFFAOYSA-N 1 0 367.446 2.825 20 5 FFBDRO Cc1cc([C@H]([NH3+])Cc2nc(CCC(C)(C)[N+](=O)[O-])no2)cc(Cl)n1 ZINC000823235601 742861125 /nfs/dbraw/zinc/86/11/25/742861125.db2.gz RKJYEOYYONBOAH-LLVKDONJSA-N 1 0 353.810 2.657 20 5 FFBDRO O=[N+]([O-])c1ccc(F)cc1C[NH2+][C@@H](C1CCOCC1)C1(CO)CCC1 ZINC000823638064 742953100 /nfs/dbraw/zinc/95/31/00/742953100.db2.gz RRNXAPFZCXKJGU-KRWDZBQOSA-N 1 0 352.406 2.781 20 5 FFBDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000824702232 743130192 /nfs/dbraw/zinc/13/01/92/743130192.db2.gz JXLRIZDDBQVUBE-PWSUYJOCSA-N 1 0 357.204 2.789 20 5 FFBDRO Cn1ccnc1[C@@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CCO1 ZINC000825326268 743248673 /nfs/dbraw/zinc/24/86/73/743248673.db2.gz KZBLXVCTVWWZBE-WFASDCNBSA-N 1 0 350.806 2.992 20 5 FFBDRO COCC[N@H+]1[C@H](C)CN(c2ccc([N+](=O)[O-])cc2OC(F)F)C[C@@H]1C ZINC000826633631 743411408 /nfs/dbraw/zinc/41/14/08/743411408.db2.gz SWJNHRNWMMYPSG-TXEJJXNPSA-N 1 0 359.373 2.742 20 5 FFBDRO C[NH+]1CCC2(CC1)CN(c1cc(Br)ccc1[N+](=O)[O-])CCO2 ZINC000826773226 743439274 /nfs/dbraw/zinc/43/92/74/743439274.db2.gz SCFOWWASDCLJMD-UHFFFAOYSA-N 1 0 370.247 2.658 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2csc(NC[C@@H]3C[N@@H+]4CCC[C@H]4CO3)n2)cc1 ZINC000827497335 743589995 /nfs/dbraw/zinc/58/99/95/743589995.db2.gz UMPHOOYDKAPDKA-LSDHHAIUSA-N 1 0 360.439 2.993 20 5 FFBDRO CCC1([NH+](C)C)CCN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)CC1 ZINC000828111451 745029766 /nfs/dbraw/zinc/02/97/66/745029766.db2.gz LLAFYCXUADYIRB-UHFFFAOYSA-N 1 0 372.828 2.916 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c1F ZINC000828450475 745068391 /nfs/dbraw/zinc/06/83/91/745068391.db2.gz WFBAQRQRLWNWSH-GFCCVEGCSA-N 1 0 353.369 2.739 20 5 FFBDRO O=C(C[N@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000831159552 745492523 /nfs/dbraw/zinc/49/25/23/745492523.db2.gz WTGLYMFSMYURSH-XNRPHZJLSA-N 1 0 367.833 2.812 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N2CCC3(CCC[N@H+]3C)CC2)c1F ZINC000831624224 745556016 /nfs/dbraw/zinc/55/60/16/745556016.db2.gz RFPVVDGZHMWSOD-UHFFFAOYSA-N 1 0 353.369 2.882 20 5 FFBDRO CCO[C@H](CNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])C[NH+](C)C ZINC000831719775 745574806 /nfs/dbraw/zinc/57/48/06/745574806.db2.gz ULWUCNMFSNMLKH-SNVBAGLBSA-N 1 0 364.229 2.598 20 5 FFBDRO C[C@@H]1CN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CC[N@@H+](C2CC2)C1 ZINC000832949904 745767188 /nfs/dbraw/zinc/76/71/88/745767188.db2.gz QVBZVBBLKUZDRR-LBPRGKRZSA-N 1 0 353.369 2.629 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(C(=O)Nc2ccn(CC[NH+](C)C)n2)cc1Cl ZINC000836545593 746250844 /nfs/dbraw/zinc/25/08/44/746250844.db2.gz RDHGAVBFTWLDDR-UHFFFAOYSA-N 1 0 351.794 2.567 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)cc1Cl ZINC000836784907 746305484 /nfs/dbraw/zinc/30/54/84/746305484.db2.gz JUHWPYGKSNYEAQ-ZDUSSCGKSA-N 1 0 369.849 2.787 20 5 FFBDRO CC(C)(C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)[C@H]1COCC12OCCO2 ZINC000839176945 746794663 /nfs/dbraw/zinc/79/46/63/746794663.db2.gz PWGSZGZFKXALFB-OAHLLOKOSA-N 1 0 370.833 2.754 20 5 FFBDRO O=C(CN1CCC[C@@H]2COCC[C@@H]21)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839502360 746841658 /nfs/dbraw/zinc/84/16/58/746841658.db2.gz HWBFEIVNZFLRTC-RISCZKNCSA-N 1 0 353.806 2.688 20 5 FFBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839603766 746868740 /nfs/dbraw/zinc/86/87/40/746868740.db2.gz VYTPQOADTKBTPD-SWLSCSKDSA-N 1 0 366.849 2.745 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCS(=O)(=O)C3CC3)s2)cc1 ZINC000840963653 747244471 /nfs/dbraw/zinc/24/44/71/747244471.db2.gz CLNLNWFCKSHNKK-UHFFFAOYSA-N 1 0 366.464 2.990 20 5 FFBDRO CCC([NH3+])(CC)CNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841161140 747284269 /nfs/dbraw/zinc/28/42/69/747284269.db2.gz KFXYQSISEOLOHW-UHFFFAOYSA-N 1 0 359.224 2.996 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@H](O)c2ccc(Cl)c(F)c2)c1 ZINC000843093784 747768616 /nfs/dbraw/zinc/76/86/16/747768616.db2.gz NZIDXGHNXRNWOR-HZPDHXFCSA-N 1 0 354.765 2.744 20 5 FFBDRO CC1(C)Oc2ccsc2[C@@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H]1O ZINC000843117170 747775857 /nfs/dbraw/zinc/77/58/57/747775857.db2.gz WMRVLAVVGXCHPX-XPKDYRNWSA-N 1 0 364.423 2.553 20 5 FFBDRO C[C@@H]([NH3+])C1CCN([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000843348370 747814149 /nfs/dbraw/zinc/81/41/49/747814149.db2.gz DWXAWPKTGQQVST-GHMZBOCLSA-N 1 0 354.838 2.634 20 5 FFBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC[C@H](CC[NH3+])C1 ZINC000843377850 747820760 /nfs/dbraw/zinc/82/07/60/747820760.db2.gz OTRIBGCUPILWDR-VXGBXAGGSA-N 1 0 354.838 2.636 20 5 FFBDRO O=C(CN1CCC([C@@H]2CC[NH2+]C2)CC1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000843385822 747821640 /nfs/dbraw/zinc/82/16/40/747821640.db2.gz ADGGABOVAVHDER-CYBMUJFWSA-N 1 0 366.849 2.508 20 5 FFBDRO [NH3+]CCCCCCNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000843512568 747846524 /nfs/dbraw/zinc/84/65/24/747846524.db2.gz VPGUWUSJUPRTEC-UHFFFAOYSA-N 1 0 362.199 2.745 20 5 FFBDRO COCCN(CC[NH+](C)C)C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000843790693 747895353 /nfs/dbraw/zinc/89/53/53/747895353.db2.gz NFXZUHYRXHKAOY-UHFFFAOYSA-N 1 0 364.229 2.552 20 5 FFBDRO O=[N+]([O-])c1cc(CN2CCC(CO)([NH2+]CC3CC3)CC2)ccc1Cl ZINC000844335813 748007968 /nfs/dbraw/zinc/00/79/68/748007968.db2.gz RNTXBSDYEQJESH-UHFFFAOYSA-N 1 0 353.850 2.575 20 5 FFBDRO COCC[NH2+]C1CCN(Cc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000844900297 748130602 /nfs/dbraw/zinc/13/06/02/748130602.db2.gz MNUZMXOMILQAPQ-UHFFFAOYSA-N 1 0 372.263 2.558 20 5 FFBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000846225994 748434078 /nfs/dbraw/zinc/43/40/78/748434078.db2.gz SUYVSZLUJHBRLH-PRXAMGSTSA-N 1 0 366.849 2.636 20 5 FFBDRO CC[C@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@@H]1CCCCO1 ZINC000847083529 748617407 /nfs/dbraw/zinc/61/74/07/748617407.db2.gz ZSWIYYUCTOMUNR-HOCLYGCPSA-N 1 0 353.394 3.000 20 5 FFBDRO O=[N+]([O-])c1ccc(Cl)c(CN2CCC[C@H]([NH+]3CCOCC3)CC2)c1 ZINC000848929866 749037558 /nfs/dbraw/zinc/03/75/58/749037558.db2.gz KPZICXJDWCNZAM-HNNXBMFYSA-N 1 0 353.850 2.935 20 5 FFBDRO C[C@H]1CN(c2cccc(F)c2)CC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000795186693 1013048132 /nfs/dbraw/zinc/04/81/32/1013048132.db2.gz BLRLFXSKRJDIIL-IFXJQAMLSA-N 1 0 359.401 2.978 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)c1C ZINC000896004806 971142647 /nfs/dbraw/zinc/14/26/47/971142647.db2.gz PHNQDPLEBBECJP-UHFFFAOYSA-N 1 0 374.485 2.500 20 5 FFBDRO C[C@@](O)(C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1cccc(F)c1 ZINC000896563424 971584584 /nfs/dbraw/zinc/58/45/84/971584584.db2.gz JNGJOKVBUJHGOK-LJQANCHMSA-N 1 0 374.416 2.595 20 5 FFBDRO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2-c1ccc(=O)n(C)c1 ZINC001174360292 1013183893 /nfs/dbraw/zinc/18/38/93/1013183893.db2.gz YUISOXLECWTNTF-UHFFFAOYSA-N 1 0 360.417 2.943 20 5 FFBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH2+]C1([C@H]2CCCCO2)CC1 ZINC000933376065 964267596 /nfs/dbraw/zinc/26/75/96/964267596.db2.gz VYVXTCZEEKKMLT-MRXNPFEDSA-N 1 0 361.398 2.584 20 5 FFBDRO C[C@H](NC(=O)NC[C@H]1Cc2ccccc2C[NH2+]1)c1ccccc1[N+](=O)[O-] ZINC000891751229 965015350 /nfs/dbraw/zinc/01/53/50/965015350.db2.gz RCIJWLIQVSAIKM-XJKSGUPXSA-N 1 0 354.410 2.670 20 5 FFBDRO C[C@@H]1C[N@@H+](Cc2ccc(CNc3c([N+](=O)[O-])cnn3C)cc2)C[C@H](C)O1 ZINC000891772592 965048059 /nfs/dbraw/zinc/04/80/59/965048059.db2.gz OYPSMYIGLHHDTH-OKILXGFUSA-N 1 0 359.430 2.550 20 5 FFBDRO CC(C)(CCC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)[N+](=O)[O-] ZINC000894431699 965365588 /nfs/dbraw/zinc/36/55/88/965365588.db2.gz SAHNNGZSFUUUJZ-ZWKOTPCHSA-N 1 0 359.470 2.802 20 5 FFBDRO Cc1ccc2ccccc2c1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000983654637 965663715 /nfs/dbraw/zinc/66/37/15/965663715.db2.gz PCSRPBPPROOVDD-QSFMABPGSA-N 1 0 367.449 2.798 20 5 FFBDRO Cc1nn(CN2CC[N@H+](Cc3ccccc3)C(C)(C)C2)c(C)c1[N+](=O)[O-] ZINC000729471422 965827695 /nfs/dbraw/zinc/82/76/95/965827695.db2.gz XOYUXMGQSMAFNN-UHFFFAOYSA-N 1 0 357.458 2.962 20 5 FFBDRO C[NH+](C)CCOc1cccc(CNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)c1 ZINC000255549432 966994087 /nfs/dbraw/zinc/99/40/87/966994087.db2.gz BHCGPLOBWWRHDW-FLIBITNWSA-N 1 0 369.421 2.865 20 5 FFBDRO Cc1c(C(=O)NCCC[NH+]2CCC(C)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000061241376 967056460 /nfs/dbraw/zinc/05/64/60/967056460.db2.gz DACILCHHWUBCEQ-UHFFFAOYSA-N 1 0 364.402 2.663 20 5 FFBDRO NC(=O)[C@@H]1C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000895005967 967150857 /nfs/dbraw/zinc/15/08/57/967150857.db2.gz CIFUTSJEVHRMFE-FWOBMTDDSA-N 1 0 351.406 2.809 20 5 FFBDRO Cn1c2ccccc2c(N2CCCC[C@@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])c1=O ZINC000892409337 968332622 /nfs/dbraw/zinc/33/26/22/968332622.db2.gz CAOWQFCWBWAAFW-OAHLLOKOSA-N 1 0 370.453 2.901 20 5 FFBDRO Cn1c2ccccc2c(N2CCC[C@@H]([NH+]3CCCC3)CC2)c([N+](=O)[O-])c1=O ZINC000892618365 969611397 /nfs/dbraw/zinc/61/13/97/969611397.db2.gz KBOVBFFFCBWGQN-OAHLLOKOSA-N 1 0 370.453 2.901 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])c(Cl)cc1-n1nc(C[NH3+])c2ccccc21 ZINC001167701222 969674335 /nfs/dbraw/zinc/67/43/35/969674335.db2.gz NIUWALRIDBDOJW-UHFFFAOYSA-N 1 0 360.757 2.832 20 5 FFBDRO Cc1nn(CCC(=O)N2[C@@H](CC[NH+](C)C)CCC[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000893027919 970509182 /nfs/dbraw/zinc/50/91/82/970509182.db2.gz ZHYWUJGXTKMZKH-XJKSGUPXSA-N 1 0 365.478 2.520 20 5 FFBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000027752253 975324286 /nfs/dbraw/zinc/32/42/86/975324286.db2.gz RYSXLJUHTNREQG-HNNXBMFYSA-N 1 0 360.458 2.799 20 5 FFBDRO [NH3+]CCCOC1CCN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)CC1 ZINC000876541745 1014297322 /nfs/dbraw/zinc/29/73/22/1014297322.db2.gz KJHGULXRFOEUDV-UHFFFAOYSA-N 1 0 357.410 2.718 20 5 FFBDRO CC(C)c1ccccc1C[N@@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC000981764565 976763941 /nfs/dbraw/zinc/76/39/41/976763941.db2.gz SPOSOUHOIHBRAI-RTBURBONSA-N 1 0 371.481 2.900 20 5 FFBDRO O=C(Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1)c1ccc([N+](=O)[O-])o1 ZINC000893845155 977564895 /nfs/dbraw/zinc/56/48/95/977564895.db2.gz ILZFODRAQSUCJB-HNNXBMFYSA-N 1 0 356.382 2.725 20 5 FFBDRO CCc1ccc([C@H](C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)N(C)C)cc1 ZINC000876884750 1014408868 /nfs/dbraw/zinc/40/88/68/1014408868.db2.gz JIWWNTRXSYEVGQ-TVPLGVNVSA-N 1 0 357.458 2.950 20 5 FFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@H]3CCCN(Cc4ccccc4)C3)C2)c1 ZINC000877068574 1014468205 /nfs/dbraw/zinc/46/82/05/1014468205.db2.gz RXPFEDXXUNOWRA-AOCRQIFASA-N 1 0 355.442 2.749 20 5 FFBDRO O=C(CCCC[NH+]1CCCC1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000729319276 978239608 /nfs/dbraw/zinc/23/96/08/978239608.db2.gz SRFZGWQTHFXUKI-UHFFFAOYSA-N 1 0 360.458 2.510 20 5 FFBDRO CN1Cc2ccccc2[C@@H]1CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC001152053965 1032093138 /nfs/dbraw/zinc/09/31/38/1032093138.db2.gz ZFOQYQDNKLGNIW-SFHVURJKSA-N 1 0 350.378 2.993 20 5 FFBDRO CCc1ccc(C(=O)N2C[C@@H](c3ccc(OC)cc3)[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000877237394 1014522938 /nfs/dbraw/zinc/52/29/38/1014522938.db2.gz VCTDRYOLADULLP-ZWKOTPCHSA-N 1 0 369.421 2.733 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N3CCC[C@H]4[NH2+]CC[C@@H]43)cc2[N+](=O)[O-])CC1 ZINC000877286536 1014537347 /nfs/dbraw/zinc/53/73/47/1014537347.db2.gz FUWZOVPOXPLEQP-SJORKVTESA-N 1 0 372.469 2.798 20 5 FFBDRO C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(C[N@H+](C2CC2)C2CCCC2)C1=O ZINC000029539883 979058982 /nfs/dbraw/zinc/05/89/82/979058982.db2.gz JHZVAZYQTIJXQX-LJQANCHMSA-N 1 0 372.425 2.726 20 5 FFBDRO C[C@](O)(CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccccc1 ZINC000877440931 1014583046 /nfs/dbraw/zinc/58/30/46/1014583046.db2.gz QJCBBRBUGSQEOW-FQEVSTJZSA-N 1 0 370.453 2.846 20 5 FFBDRO COC(=O)[C@H](Cc1ccccc1)[C@H](C)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877507677 1014606293 /nfs/dbraw/zinc/60/62/93/1014606293.db2.gz KKIUAIXFFCXEGF-VDINOMKWSA-N 1 0 372.425 2.505 20 5 FFBDRO Cc1ccc([C@@H](O)[C@@H](C)[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1 ZINC000877517547 1014609752 /nfs/dbraw/zinc/60/97/52/1014609752.db2.gz OFAFPQWEVJZBAW-QRWLVFNGSA-N 1 0 370.453 2.979 20 5 FFBDRO C[N@@H+](Cc1cc2ccccc2o1)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001029964450 980154147 /nfs/dbraw/zinc/15/41/47/980154147.db2.gz JHESZHYZKALPMN-QZTJIDSGSA-N 1 0 371.437 2.768 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[NH2+]CCC12CCOCC2 ZINC000904443858 980278599 /nfs/dbraw/zinc/27/85/99/980278599.db2.gz IQQJBGZKJGSMHD-UHFFFAOYSA-N 1 0 362.430 2.588 20 5 FFBDRO Cc1nn(C[N@H+]2CCC[C@@H](c3ccn(C)n3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000905715941 980496225 /nfs/dbraw/zinc/49/62/25/980496225.db2.gz MDZXNVDIJMJFLP-CQSZACIVSA-N 1 0 354.414 2.824 20 5 FFBDRO C[C@H](C[NH2+]Cc1cn(Cc2cccnc2)nn1)c1ccccc1[N+](=O)[O-] ZINC000897465805 981132816 /nfs/dbraw/zinc/13/28/16/981132816.db2.gz INVLYAPUIQLPLY-CQSZACIVSA-N 1 0 352.398 2.523 20 5 FFBDRO COc1cc(C(=O)NC2CCC3(CC2)CC[NH+](C)CC3)ccc1[N+](=O)[O-] ZINC000908502944 981458930 /nfs/dbraw/zinc/45/89/30/981458930.db2.gz UXHPZAXKRCGNQD-UHFFFAOYSA-N 1 0 361.442 2.988 20 5 FFBDRO COCCN(CC1CC[NH+](C)CC1)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000877952795 1014782825 /nfs/dbraw/zinc/78/28/25/1014782825.db2.gz XWEBFHDMDIHZQK-UHFFFAOYSA-N 1 0 364.446 2.725 20 5 FFBDRO O=[N+]([O-])c1ccccc1-c1nnc(CN2CC[C@H](C[NH+]3CCCCC3)C2)o1 ZINC000878132882 1014875032 /nfs/dbraw/zinc/87/50/32/1014875032.db2.gz DKTHKSLACWBEKA-OAHLLOKOSA-N 1 0 371.441 2.953 20 5 FFBDRO O=[N+]([O-])c1ccccc1-c1nnc(CN2CC[C@@H](C[NH+]3CCCC3)C2)o1 ZINC000878124610 1014871799 /nfs/dbraw/zinc/87/17/99/1014871799.db2.gz IWDRUWBRYKBWMR-AWEZNQCLSA-N 1 0 357.414 2.563 20 5 FFBDRO CCC[NH+]1CCC(N(C)Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000878164436 1014894069 /nfs/dbraw/zinc/89/40/69/1014894069.db2.gz HRIOPDKUWVAFDE-UHFFFAOYSA-N 1 0 359.430 2.951 20 5 FFBDRO CCOc1ccccc1[C@@H]([NH3+])CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000912184281 983977002 /nfs/dbraw/zinc/97/70/02/983977002.db2.gz XBZFBKDDQJMUNY-INIZCTEOSA-N 1 0 355.394 2.973 20 5 FFBDRO COc1c(O)ccc(C[NH2+]C[C@H](O)c2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC001206014694 1032108082 /nfs/dbraw/zinc/10/80/82/1032108082.db2.gz FWFFWDDPWCZCCO-AWEZNQCLSA-N 1 0 352.774 2.786 20 5 FFBDRO Cc1nn(CN2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000156493926 984341286 /nfs/dbraw/zinc/34/12/86/984341286.db2.gz OTKFRWHUQOGDHF-HNNXBMFYSA-N 1 0 357.458 2.962 20 5 FFBDRO C[C@H](CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)[NH+]1CCCC1 ZINC000046408528 984675875 /nfs/dbraw/zinc/67/58/75/984675875.db2.gz DVXMOMWDMLVFEK-MRXNPFEDSA-N 1 0 363.461 2.755 20 5 FFBDRO Cc1nn(C[N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)c2cc([N+](=O)[O-])ccc12 ZINC000761293174 985133387 /nfs/dbraw/zinc/13/33/87/985133387.db2.gz SBPTYXHZYHQBQQ-OAHLLOKOSA-N 1 0 371.441 2.545 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCN(Cc3cccc(F)c3)CC2)c2nonc21 ZINC000765574883 985202979 /nfs/dbraw/zinc/20/29/79/985202979.db2.gz MXWNEPFSNNKOIL-UHFFFAOYSA-N 1 0 357.345 2.592 20 5 FFBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878605190 1015127396 /nfs/dbraw/zinc/12/73/96/1015127396.db2.gz FNJPHEFFFWGDOR-KBPBESRZSA-N 1 0 357.414 2.703 20 5 FFBDRO CC(C)CCC[N@@H+]1CCc2c(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cccc2C1 ZINC001272917416 986887092 /nfs/dbraw/zinc/88/70/92/986887092.db2.gz XJADTGAWGKIEMM-RTBURBONSA-N 1 0 359.470 2.762 20 5 FFBDRO COc1cc(C)c([N+](=O)[O-])cc1-n1nc(-c2ccccc2)nc1CC[NH3+] ZINC001168714074 988183372 /nfs/dbraw/zinc/18/33/72/988183372.db2.gz FQNBMTRFDLVHIO-UHFFFAOYSA-N 1 0 353.382 2.661 20 5 FFBDRO CCOc1cc(-n2nc(-c3ccccc3)nc2CC[NH3+])ccc1[N+](=O)[O-] ZINC001168717862 988276346 /nfs/dbraw/zinc/27/63/46/988276346.db2.gz RYJGPRXQBCGAJB-UHFFFAOYSA-N 1 0 353.382 2.742 20 5 FFBDRO C/C(=C\C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000762612343 988512310 /nfs/dbraw/zinc/51/23/10/988512310.db2.gz KSQLXDAWSVRMPA-MDJJKAFGSA-N 1 0 361.442 2.615 20 5 FFBDRO C[N@@H+]1CCCC[C@H]1CCOC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000915469772 988589045 /nfs/dbraw/zinc/58/90/45/988589045.db2.gz SZANSESFTGEWJL-AWEZNQCLSA-N 1 0 358.398 2.812 20 5 FFBDRO O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)c1cc2ccccc2c2cccnc12 ZINC000670409948 988698086 /nfs/dbraw/zinc/69/80/86/988698086.db2.gz XSXANHMJORZBCM-KRWDZBQOSA-N 1 0 360.461 2.508 20 5 FFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@](C)(O)c1ccccc1 ZINC000765999472 988889051 /nfs/dbraw/zinc/88/90/51/988889051.db2.gz UPXKLHXNKCKZLY-AUUYWEPGSA-N 1 0 357.410 2.809 20 5 FFBDRO CN(C)C(=O)[C@@H]1CCC[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000766007186 988991325 /nfs/dbraw/zinc/99/13/25/988991325.db2.gz OHVCZDONDAAZCE-NVXWUHKLSA-N 1 0 374.485 2.800 20 5 FFBDRO C[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000915876597 989184034 /nfs/dbraw/zinc/18/40/34/989184034.db2.gz ZEDRFCXTUYNMTB-CKFHNAJUSA-N 1 0 369.421 2.584 20 5 FFBDRO CCC1([NH+](C)C)CCN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000879286194 1015461226 /nfs/dbraw/zinc/46/12/26/1015461226.db2.gz MWTGCIIXHQXZPX-UHFFFAOYSA-N 1 0 359.430 2.951 20 5 FFBDRO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC[NH+](Cc2ccc(C3CC3)cc2)CC1 ZINC001005383759 989741691 /nfs/dbraw/zinc/74/16/91/989741691.db2.gz VYMYRKUGHIXNFQ-RTBURBONSA-N 1 0 357.454 2.652 20 5 FFBDRO CCCc1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1 ZINC001034642623 990147594 /nfs/dbraw/zinc/14/75/94/990147594.db2.gz FEJJPMCDNYUFSG-NCXUSEDFSA-N 1 0 359.470 2.821 20 5 FFBDRO Cc1cc(C)cc(C[N@@H+]2CCC3(C2)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC3)c1 ZINC001035186965 990409204 /nfs/dbraw/zinc/40/92/04/990409204.db2.gz NVJNBGZNOWGOJT-RTBURBONSA-N 1 0 371.481 2.783 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2Cc3cccnc3N3CCC[C@@H]3C2)cc1 ZINC000879500096 1015563828 /nfs/dbraw/zinc/56/38/28/1015563828.db2.gz OOAYYCKZDCNQRJ-QZTJIDSGSA-N 1 0 354.410 2.508 20 5 FFBDRO O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCCC[NH+]1CCCC1 ZINC000073461990 990713986 /nfs/dbraw/zinc/71/39/86/990713986.db2.gz GOKFQJUNUKFBMD-UHFFFAOYSA-N 1 0 363.461 2.757 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3C[C@H](O)C34CCOCC4)o2)cc1 ZINC000923022031 990793865 /nfs/dbraw/zinc/79/38/65/990793865.db2.gz VYZAPHBBFBLKFG-MSOLQXFVSA-N 1 0 358.394 2.874 20 5 FFBDRO Cc1noc(COC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000923851166 990841764 /nfs/dbraw/zinc/84/17/64/990841764.db2.gz QJWGWUGKVSQISP-SWLSCSKDSA-N 1 0 359.382 2.703 20 5 FFBDRO C[C@@H]1CCC[C@@](CNC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)([NH+](C)C)C1 ZINC000920461001 990853817 /nfs/dbraw/zinc/85/38/17/990853817.db2.gz RRLGQNYTXWNQME-AUUYWEPGSA-N 1 0 373.457 2.571 20 5 FFBDRO CC1(C)[C@@H](c2ccccc2F)CC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000879638863 1015621214 /nfs/dbraw/zinc/62/12/14/1015621214.db2.gz GHEKIKRNSSAKRJ-GOEBONIOSA-N 1 0 362.405 2.559 20 5 FFBDRO C[C@H]1CCC[C@@](CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)([NH+](C)C)C1 ZINC000068116818 991335895 /nfs/dbraw/zinc/33/58/95/991335895.db2.gz CYGSTSVINJPGKY-YVEFUNNKSA-N 1 0 364.402 2.743 20 5 FFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2Cc3cccnc3N3CCC[C@H]3C2)c1 ZINC000879690596 1015641519 /nfs/dbraw/zinc/64/15/19/1015641519.db2.gz AKUMZQADNZFROG-ROUUACIJSA-N 1 0 354.410 2.508 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000880252592 1015790686 /nfs/dbraw/zinc/79/06/86/1015790686.db2.gz ARNXKAUGRBHJMA-MRXNPFEDSA-N 1 0 374.485 2.770 20 5 FFBDRO C[C@H]1CN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CCN1c1cc[nH+]cc1 ZINC000880261996 1015792974 /nfs/dbraw/zinc/79/29/74/1015792974.db2.gz QSUCSINKQCCFMZ-AWEZNQCLSA-N 1 0 370.409 2.567 20 5 FFBDRO CC1([NH+]2CCC2)CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000880470516 1015844533 /nfs/dbraw/zinc/84/45/33/1015844533.db2.gz KXAZDNGEROOGMP-UHFFFAOYSA-N 1 0 357.414 2.705 20 5 FFBDRO O=C(O[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000810844485 994952635 /nfs/dbraw/zinc/95/26/35/994952635.db2.gz NWXKAYNKIOHPBR-JKSUJKDBSA-N 1 0 356.382 2.564 20 5 FFBDRO Cc1c(CC(=O)Nc2ccccc2N2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000747764517 995322502 /nfs/dbraw/zinc/32/25/02/995322502.db2.gz XHZAZZRTYORZTR-UHFFFAOYSA-N 1 0 368.437 2.836 20 5 FFBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)C[C@@H]2C1 ZINC000812338819 995417880 /nfs/dbraw/zinc/41/78/80/995417880.db2.gz QUFAUOGFXXRENT-KGLIPLIRSA-N 1 0 372.450 2.742 20 5 FFBDRO CC(C)[C@H](CNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)[NH+]1CCC(C)CC1 ZINC000824982682 997170165 /nfs/dbraw/zinc/17/01/65/997170165.db2.gz JJLCZPJMWBVTLS-ZWKOTPCHSA-N 1 0 363.458 2.501 20 5 FFBDRO C[C@H]([NH2+]C[C@@](C)(O)CN(C)C(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000844314300 997801910 /nfs/dbraw/zinc/80/19/10/997801910.db2.gz ZIGQOSSNWJXVJP-SCLBCKFNSA-N 1 0 367.446 2.863 20 5 FFBDRO Nc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2CC2CCCCC2)cc1[N+](=O)[O-] ZINC000731476115 997941324 /nfs/dbraw/zinc/94/13/24/997941324.db2.gz VDBSTSSCRHWRJD-MRXNPFEDSA-N 1 0 360.458 2.952 20 5 FFBDRO C[N@@H+]1CCN(Cn2ncc3ccc([N+](=O)[O-])cc32)[C@H](Cc2ccccc2)C1 ZINC000844739449 998135526 /nfs/dbraw/zinc/13/55/26/998135526.db2.gz DTRYTLMJLRKHSY-LJQANCHMSA-N 1 0 365.437 2.761 20 5 FFBDRO O=C(NC1CCC([NH+]2CCCCC2)CC1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000826932626 1016214053 /nfs/dbraw/zinc/21/40/53/1016214053.db2.gz BLLZGCFRRVXUGZ-LEOMRAHMSA-N 1 0 361.442 2.542 20 5 FFBDRO C[C@@H](OC(=O)CC[C@H]1CCCC[N@@H+]1C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000803856272 1016245510 /nfs/dbraw/zinc/24/55/10/1016245510.db2.gz OCICYLSQOLAGDK-UKRRQHHQSA-N 1 0 363.414 2.730 20 5 FFBDRO CC[C@H]1CCCC[N@@H+]1CCNc1c([N+](=O)[O-])cc(CO)c(C)c1[N+](=O)[O-] ZINC000733301987 998951353 /nfs/dbraw/zinc/95/13/53/998951353.db2.gz FYEQBDLHSHKHFI-AWEZNQCLSA-N 1 0 366.418 2.980 20 5 FFBDRO CC(C)[N@H+](C)CC1CCN(Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000738091167 999616335 /nfs/dbraw/zinc/61/63/35/999616335.db2.gz WJMFDDNKXQJBDV-UHFFFAOYSA-N 1 0 372.473 2.863 20 5 FFBDRO C[C@@H]1CCC[C@H](C)[N@H+](CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000742154156 999762464 /nfs/dbraw/zinc/76/24/64/999762464.db2.gz DPVQCVYVAPIDBY-KGLIPLIRSA-N 1 0 360.414 2.831 20 5 FFBDRO COc1ccc(OCCOC(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000745091362 999891868 /nfs/dbraw/zinc/89/18/68/999891868.db2.gz GMMATVMQCANJCV-IHRRRGAJSA-N 1 0 366.414 2.787 20 5 FFBDRO COc1cccc(C(=O)N(CCc2ccccc2)CC[NH+](C)C)c1[N+](=O)[O-] ZINC000766407294 999990768 /nfs/dbraw/zinc/99/07/68/999990768.db2.gz GYVMQFSUPPMTHL-UHFFFAOYSA-N 1 0 371.437 2.850 20 5 FFBDRO CC(C)(C)OC(=O)N1CCC(F)(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168956542 1000012570 /nfs/dbraw/zinc/01/25/70/1000012570.db2.gz BNSCUNVICQSGIM-KGLIPLIRSA-N 1 0 359.442 2.761 20 5 FFBDRO O=C(c1ccccc1F)N1CCC(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168991418 1000013796 /nfs/dbraw/zinc/01/37/96/1000013796.db2.gz GSUJJOUKRPUYRB-HZPDHXFCSA-N 1 0 363.433 2.713 20 5 FFBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCN(c3ncccc3C(F)(F)F)CC2)C1 ZINC001169006823 1000014956 /nfs/dbraw/zinc/01/49/56/1000014956.db2.gz JKPOIRUHFQWICT-QWHCGFSZSA-N 1 0 358.364 2.668 20 5 FFBDRO CC(C)(C)OC(=O)N1CC2(C1)CCC[N@@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169035897 1000016579 /nfs/dbraw/zinc/01/65/79/1000016579.db2.gz MFILNIGVFBKUHA-CABCVRRESA-N 1 0 353.463 2.765 20 5 FFBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2CCN(Cc3ccncc3)c3ncccc3C2)C1 ZINC001169019624 1000017632 /nfs/dbraw/zinc/01/76/32/1000017632.db2.gz GYPXVDAEUCDBIS-HKUYNNGSSA-N 1 0 367.453 2.744 20 5 FFBDRO O=C1NC2(C[C@@H]1c1ccccc1)CC[NH+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169022942 1000017803 /nfs/dbraw/zinc/01/78/03/1000017803.db2.gz NRSDERPGEAOMQP-KBAYOESNSA-N 1 0 357.454 2.570 20 5 FFBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCCn3cnc(COCc4ccco4)c3C2)C1 ZINC001169026238 1000018129 /nfs/dbraw/zinc/01/81/29/1000018129.db2.gz WJYYQCINDARRHS-CVEARBPZSA-N 1 0 374.441 2.844 20 5 FFBDRO CN1C[C@H](c2ccccc2)C2(CC[NH+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)C1=O ZINC001169026924 1000018275 /nfs/dbraw/zinc/01/82/75/1000018275.db2.gz YZPBMEXMAXMTAG-YTQUADARSA-N 1 0 371.481 2.770 20 5 FFBDRO CC[N@H+](C[C@@H]1CN(Cc2ccccc2)CCO1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169053548 1000018980 /nfs/dbraw/zinc/01/89/80/1000018980.db2.gz ILKDBAONGHNECZ-ZCNNSNEGSA-N 1 0 361.486 2.655 20 5 FFBDRO C[NH+](C)CCOc1cc(Nc2cccn(CC3CC3)c2=O)ccc1[N+](=O)[O-] ZINC001169451531 1000048875 /nfs/dbraw/zinc/04/88/75/1000048875.db2.gz VPUYQCONHLLLSR-UHFFFAOYSA-N 1 0 372.425 2.851 20 5 FFBDRO CCOC(=O)C1(Nc2cc3cccnc3c([N+](=O)[O-])c2)CC[NH+](C)CC1 ZINC001169495532 1000053515 /nfs/dbraw/zinc/05/35/15/1000053515.db2.gz KKVQSEOWKXIVHY-UHFFFAOYSA-N 1 0 358.398 2.582 20 5 FFBDRO CC(C)[N@H+](C[C@@H](O)COc1ccccc1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000770038685 1000661266 /nfs/dbraw/zinc/66/12/66/1000661266.db2.gz DHTXGNQTYIEXOM-QUCCMNQESA-N 1 0 374.437 2.779 20 5 FFBDRO Cc1ccc(NCCCNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC001147332179 1000873444 /nfs/dbraw/zinc/87/34/44/1000873444.db2.gz WWBKFUOGLCVWPK-HZPDHXFCSA-N 1 0 362.474 2.942 20 5 FFBDRO CC(=O)c1ccc(N2CC[C@H](OCC[NH+]3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000771237420 1001047343 /nfs/dbraw/zinc/04/73/43/1001047343.db2.gz ZTHANZQZNOTDRQ-KRWDZBQOSA-N 1 0 361.442 2.879 20 5 FFBDRO C[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(N2CCNC2=O)cc1 ZINC000786832427 1001628975 /nfs/dbraw/zinc/62/89/75/1001628975.db2.gz PFVMLKNLJNLIEC-SCLBCKFNSA-N 1 0 370.409 2.509 20 5 FFBDRO COc1ccc([C@H](O)C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000788431009 1001799513 /nfs/dbraw/zinc/79/95/13/1001799513.db2.gz RAUJBHSCUUSQRL-GVDBMIGSSA-N 1 0 360.414 2.607 20 5 FFBDRO C[C@H]([NH2+]C[C@@H](c1ccccc1)N1CCOCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788506468 1001814305 /nfs/dbraw/zinc/81/43/05/1001814305.db2.gz LQCJPVBXXLWHEQ-YWZLYKJASA-N 1 0 370.453 2.901 20 5 FFBDRO Cc1ccc([C@@H](O)C[NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000774485445 1001927287 /nfs/dbraw/zinc/92/72/87/1001927287.db2.gz PAHSCHUXUFBPSW-KSSFIOAISA-N 1 0 357.410 2.944 20 5 FFBDRO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2C(=O)[C@H]1C[C@H](O)C1 ZINC001182646107 1002000333 /nfs/dbraw/zinc/00/03/33/1002000333.db2.gz IYDORENHQQFTKR-AULYBMBSSA-N 1 0 351.406 2.666 20 5 FFBDRO COCC[N@H+](Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CC[C@H](C)C1 ZINC000790476742 1002387217 /nfs/dbraw/zinc/38/72/17/1002387217.db2.gz CWGYHTKALOGZIR-WMLDXEAASA-N 1 0 359.430 2.948 20 5 FFBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)C[NH+]1CCCCC1 ZINC000791208977 1002618625 /nfs/dbraw/zinc/61/86/25/1002618625.db2.gz KTPBYIWCHYXVIS-CYBMUJFWSA-N 1 0 366.437 2.652 20 5 FFBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000791395356 1002689588 /nfs/dbraw/zinc/68/95/88/1002689588.db2.gz RQTYWCKWLFZGDE-YVEFUNNKSA-N 1 0 372.400 2.566 20 5 FFBDRO O=C(COC(=O)c1ccc2c[nH+]cn2c1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000792550284 1003028976 /nfs/dbraw/zinc/02/89/76/1003028976.db2.gz OLRSCEJNFHKLIZ-UHFFFAOYSA-N 1 0 374.740 2.691 20 5 FFBDRO COc1ccc(C[C@@H](C)[NH2+]C2CCN(c3ncccn3)CC2)c([N+](=O)[O-])c1 ZINC001170298091 1003091471 /nfs/dbraw/zinc/09/14/71/1003091471.db2.gz ZUOIMHSZXPRKLO-CQSZACIVSA-N 1 0 371.441 2.583 20 5 FFBDRO COc1ccc(C[C@H](C)[NH2+][C@@H]2CCN(Cc3ccccn3)C2)c([N+](=O)[O-])c1 ZINC001170318647 1003108047 /nfs/dbraw/zinc/10/80/47/1003108047.db2.gz QSBKOSSNHFIPHR-MAUKXSAKSA-N 1 0 370.453 2.794 20 5 FFBDRO COc1ccc(C[C@H](C)[NH2+]Cc2ccc(OC)nc2OC)c([N+](=O)[O-])c1 ZINC001170318257 1003108410 /nfs/dbraw/zinc/10/84/10/1003108410.db2.gz NZAWYAIUXLKOAA-LBPRGKRZSA-N 1 0 361.398 2.736 20 5 FFBDRO COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2C(=O)Nc3ccccc32)c([N+](=O)[O-])c1 ZINC001170326340 1003113394 /nfs/dbraw/zinc/11/33/94/1003113394.db2.gz HMHGVHAUYNFEOW-WBMJQRKESA-N 1 0 355.394 2.860 20 5 FFBDRO COC(=O)CC1CC[NH+]([C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC001170334539 1003118336 /nfs/dbraw/zinc/11/83/36/1003118336.db2.gz GLNWTFRNIBYWLD-ZDUSSCGKSA-N 1 0 350.415 2.810 20 5 FFBDRO COc1ccc(C[C@@H](C)[N@@H+]2CCC[C@H](Oc3ncccn3)C2)c([N+](=O)[O-])c1 ZINC001170354848 1003122995 /nfs/dbraw/zinc/12/29/95/1003122995.db2.gz QGXXZYUAXYJQSO-PBHICJAKSA-N 1 0 372.425 2.868 20 5 FFBDRO COc1ccc(C[C@H](C)N(c2cc(C)ncn2)[C@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001170355020 1003123286 /nfs/dbraw/zinc/12/32/86/1003123286.db2.gz USBYSNGRKLLIPS-HOCLYGCPSA-N 1 0 371.441 2.501 20 5 FFBDRO COc1cc(C[NH2+]C[C@H](C)NC(=O)OC(C)(C)C)c([N+](=O)[O-])cc1OC ZINC000793216081 1003309637 /nfs/dbraw/zinc/30/96/37/1003309637.db2.gz WIDVATXBWUVFHO-NSHDSACASA-N 1 0 369.418 2.615 20 5 FFBDRO O=C(NCC1CC[NH+](Cc2cccc(C(F)F)c2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001001399704 1016782190 /nfs/dbraw/zinc/78/21/90/1016782190.db2.gz MXWIKBSOHPZZHH-HZPDHXFCSA-N 1 0 367.396 2.618 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CN1Cc2cccnc2N2CCC[C@H]2C1 ZINC001197146416 1004100489 /nfs/dbraw/zinc/10/04/89/1004100489.db2.gz RESYYGPRRDPCQX-KRWDZBQOSA-N 1 0 354.410 2.983 20 5 FFBDRO O=C(O[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)C1CC[NH+](C2CC2)CC1 ZINC000805897702 1004173231 /nfs/dbraw/zinc/17/32/31/1004173231.db2.gz VSWPOFXPSZFJQX-HZPDHXFCSA-N 1 0 362.430 2.693 20 5 FFBDRO NC(=O)C[C@@H]([NH2+]Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C1CCCCC1 ZINC001193248728 1004419388 /nfs/dbraw/zinc/41/93/88/1004419388.db2.gz HRUVTLOROWKRON-CQSZACIVSA-N 1 0 373.413 2.559 20 5 FFBDRO O=[N+]([O-])c1cc(S(=O)(=O)NC[C@@H]2CC[N@@H+]2C2CCCCCC2)cs1 ZINC001193800397 1004585853 /nfs/dbraw/zinc/58/58/53/1004585853.db2.gz PSLPRAMKSYYUMX-ZDUSSCGKSA-N 1 0 373.500 2.732 20 5 FFBDRO C[N@@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C1 ZINC000108335499 1005654435 /nfs/dbraw/zinc/65/44/35/1005654435.db2.gz BGWBEWHZTFCZBH-OAHLLOKOSA-N 1 0 360.458 2.657 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](CO)C[C@H](O)c1ccccc1 ZINC000850448831 1005816376 /nfs/dbraw/zinc/81/63/76/1005816376.db2.gz VMIMYVZGOUXXOD-JOQOYGCGSA-N 1 0 360.410 2.739 20 5 FFBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[N@H+](C)Cc1ccccc1 ZINC000110349687 1005931248 /nfs/dbraw/zinc/93/12/48/1005931248.db2.gz IPZGDPYAGZHPIJ-CYBMUJFWSA-N 1 0 372.381 2.753 20 5 FFBDRO CC(C)n1cc(C2=CCC[N@H+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)CC2)nn1 ZINC000852133685 1005944129 /nfs/dbraw/zinc/94/41/29/1005944129.db2.gz AMMOVHHRPGPSRV-LJQANCHMSA-N 1 0 371.441 2.980 20 5 FFBDRO CC(C)[C@@H](C)NC(=O)C1CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776580948 1005961283 /nfs/dbraw/zinc/96/12/83/1005961283.db2.gz AIIODEDASDBEMY-RDTXWAMCSA-N 1 0 363.458 2.501 20 5 FFBDRO C[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000776589673 1006004261 /nfs/dbraw/zinc/00/42/61/1006004261.db2.gz VAISAPCUWAGAFV-JKSUJKDBSA-N 1 0 365.430 2.569 20 5 FFBDRO COC(=O)[C@H](C)[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000776591429 1006006211 /nfs/dbraw/zinc/00/62/11/1006006211.db2.gz MHOGRPMFEABMCZ-BVGQSLNGSA-N 1 0 358.394 2.768 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)CN2CCO[C@@]3(CCc4ccccc43)C2)cc1 ZINC000776594197 1006009771 /nfs/dbraw/zinc/00/97/71/1006009771.db2.gz YIVGBAOCERKHGZ-UXHICEINSA-N 1 0 354.406 2.802 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000881478434 1006122853 /nfs/dbraw/zinc/12/28/53/1006122853.db2.gz JSUSTVVHXZVALV-INIZCTEOSA-N 1 0 361.442 2.585 20 5 FFBDRO COc1cc(N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)c([N+](=O)[O-])cc1OC ZINC001187593676 1006147929 /nfs/dbraw/zinc/14/79/29/1006147929.db2.gz NNNVXHCWWTWFTK-RISCZKNCSA-N 1 0 353.444 2.604 20 5 FFBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000110998307 1006249483 /nfs/dbraw/zinc/24/94/83/1006249483.db2.gz ZZBALOBNTHOAHP-MRXNPFEDSA-N 1 0 360.458 2.799 20 5 FFBDRO CC(=O)c1c([N+](=O)[O-])cccc1N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000882139857 1006306572 /nfs/dbraw/zinc/30/65/72/1006306572.db2.gz BYUZXYFULQXBAY-UHFFFAOYSA-N 1 0 374.485 2.792 20 5 FFBDRO CC(=O)c1c(NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000882171849 1006311685 /nfs/dbraw/zinc/31/16/85/1006311685.db2.gz MBMQHHCYZVNCJE-KRWDZBQOSA-N 1 0 369.421 2.976 20 5 FFBDRO CC1([NH+]2CCC2)CCN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CC1 ZINC000882507109 1006416272 /nfs/dbraw/zinc/41/62/72/1006416272.db2.gz ALJQNMTZMHDIMT-UHFFFAOYSA-N 1 0 369.368 2.897 20 5 FFBDRO COCC[N@H+](Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1)[C@H]1CC[C@H](C)C1 ZINC000853507863 1006421504 /nfs/dbraw/zinc/42/15/04/1006421504.db2.gz CHSCVPGGFXIYEQ-GJZGRUSLSA-N 1 0 359.430 2.948 20 5 FFBDRO CC(C)NC(=O)[C@H]1CCC[N@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C1 ZINC000853601563 1006469141 /nfs/dbraw/zinc/46/91/41/1006469141.db2.gz JVIBRBFLOYBQCJ-HNNXBMFYSA-N 1 0 371.441 2.652 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000853812275 1006542974 /nfs/dbraw/zinc/54/29/74/1006542974.db2.gz XXMMIHZVYNLCRG-GFCCVEGCSA-N 1 0 371.384 2.803 20 5 FFBDRO CC(C)Oc1cnccc1NC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC001134912619 1006552549 /nfs/dbraw/zinc/55/25/49/1006552549.db2.gz WTNMBYHJNNPTNX-UHFFFAOYSA-N 1 0 367.365 2.637 20 5 FFBDRO CC1([NH+]2CCC2)CCN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CC1 ZINC000882965132 1006580528 /nfs/dbraw/zinc/58/05/28/1006580528.db2.gz XHDHQLAYUIKYHU-UHFFFAOYSA-N 1 0 372.469 2.895 20 5 FFBDRO [NH2+]=c1ccc2nc3c(cc(NC(=O)c4nc[nH]n4)c4ccccc43)oc-2c1 ZINC001188704480 1006683948 /nfs/dbraw/zinc/68/39/48/1006683948.db2.gz YNQLWXOZPROJAA-UHFFFAOYSA-N 1 0 356.345 2.936 20 5 FFBDRO O=C1N(C[N@@H+]2CCC[C@H]2C2CCOCC2)CCN1c1ccccc1[N+](=O)[O-] ZINC000776768838 1007058672 /nfs/dbraw/zinc/05/86/72/1007058672.db2.gz NWOXVJUMCMEHMB-INIZCTEOSA-N 1 0 374.441 2.685 20 5 FFBDRO Cc1c([N+](=O)[O-])cc(C(=O)NCCC[NH+]2CCCCCC2)cc1[N+](=O)[O-] ZINC000883999386 1007131806 /nfs/dbraw/zinc/13/18/06/1007131806.db2.gz YNHFYNPTQIXPGS-UHFFFAOYSA-N 1 0 364.402 2.807 20 5 FFBDRO Cc1c(C(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000855160111 1007139656 /nfs/dbraw/zinc/13/96/56/1007139656.db2.gz NVYZIEUGKIQPAU-LBPRGKRZSA-N 1 0 364.402 2.662 20 5 FFBDRO C[C@H](CCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1)[NH+](C)C ZINC000855413977 1007330071 /nfs/dbraw/zinc/33/00/71/1007330071.db2.gz UOTRSFXCERSIMS-OAHLLOKOSA-N 1 0 362.474 2.901 20 5 FFBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000113438170 1007406515 /nfs/dbraw/zinc/40/65/15/1007406515.db2.gz RJFHZUVNQBPQBU-CQSZACIVSA-N 1 0 364.402 2.806 20 5 FFBDRO CC[C@@]([NH3+])(CO)Nc1cnc(Cl)nc1Sc1ccc([N+](=O)[O-])cc1 ZINC001170860116 1007546406 /nfs/dbraw/zinc/54/64/06/1007546406.db2.gz VHGQDXFHOXSCES-AWEZNQCLSA-N 1 0 369.834 2.659 20 5 FFBDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000855899415 1007629838 /nfs/dbraw/zinc/62/98/38/1007629838.db2.gz LGPULLWHTJJEKW-CYBMUJFWSA-N 1 0 355.385 2.923 20 5 FFBDRO O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000818592047 1007961796 /nfs/dbraw/zinc/96/17/96/1007961796.db2.gz MWWCSGBKMGWATC-FQEVSTJZSA-N 1 0 372.469 2.801 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]Cc2ccc(OCC(F)(F)F)nc2)cc1 ZINC000818957157 1007994315 /nfs/dbraw/zinc/99/43/15/1007994315.db2.gz RGJPOQIKZNQPSD-AWEZNQCLSA-N 1 0 371.315 2.754 20 5 FFBDRO CC[C@@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1nnc2n1CCCCC2 ZINC000819005255 1008006485 /nfs/dbraw/zinc/00/64/85/1008006485.db2.gz ZNTDINXMGYKOLB-HZPDHXFCSA-N 1 0 359.430 2.687 20 5 FFBDRO O=C1CCCN1Cc1ccc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000818967864 1008010904 /nfs/dbraw/zinc/01/09/04/1008010904.db2.gz DGNHAFGBYYXRGI-LJQANCHMSA-N 1 0 369.421 2.540 20 5 FFBDRO CCN(C)c1ccccc1C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000819034212 1008028075 /nfs/dbraw/zinc/02/80/75/1008028075.db2.gz WZTJPFOBJSFMSD-MRXNPFEDSA-N 1 0 359.426 2.580 20 5 FFBDRO Cc1ccc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c(N2CCOCC2)c1 ZINC000819148118 1008042898 /nfs/dbraw/zinc/04/28/98/1008042898.db2.gz OUTKZOWGUIOONK-HXUWFJFHSA-N 1 0 371.437 2.563 20 5 FFBDRO CCN(C(=O)OC(C)(C)C)[C@H](C)C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819275171 1008097462 /nfs/dbraw/zinc/09/74/62/1008097462.db2.gz NDIJVGXJEOAXMI-CJNGLKHVSA-N 1 0 367.446 2.863 20 5 FFBDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819398022 1008115983 /nfs/dbraw/zinc/11/59/83/1008115983.db2.gz OEZPLINXDUNAJJ-FQEVSTJZSA-N 1 0 370.453 2.801 20 5 FFBDRO CCN(CCC[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1N1CCOC1=O ZINC000819930245 1008242680 /nfs/dbraw/zinc/24/26/80/1008242680.db2.gz AYZURAGJPDLOQR-UHFFFAOYSA-N 1 0 362.430 2.864 20 5 FFBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@H](Oc3ccc(C4CC4)cn3)C2)n1 ZINC000858019974 1008278849 /nfs/dbraw/zinc/27/88/49/1008278849.db2.gz NMUMUGVSBFNZOD-INIZCTEOSA-N 1 0 357.414 2.607 20 5 FFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C(c1ccnn1C)c1ccnn1C ZINC000858581257 1008385694 /nfs/dbraw/zinc/38/56/94/1008385694.db2.gz GYCREIKJZOVAKX-AWEZNQCLSA-N 1 0 368.441 2.762 20 5 FFBDRO CC[NH+]1CCN([C@H](C)CNC(=O)c2cc([N+](=O)[O-])cc3ccccc32)CC1 ZINC000859356385 1008506134 /nfs/dbraw/zinc/50/61/34/1008506134.db2.gz XMPYUTVOEVLUEF-OAHLLOKOSA-N 1 0 370.453 2.504 20 5 FFBDRO CC(C)(C)OC(=O)CC[N@H+](Cc1cccnc1[N+](=O)[O-])C1CCOCC1 ZINC000886264244 1008616159 /nfs/dbraw/zinc/61/61/59/1008616159.db2.gz TXLIOKYCVBQNKU-UHFFFAOYSA-N 1 0 365.430 2.703 20 5 FFBDRO CCC1([NH+]2CCC2)CCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000886712758 1008839333 /nfs/dbraw/zinc/83/93/33/1008839333.db2.gz LFVMLDRSBAZRBY-HNNXBMFYSA-N 1 0 360.458 2.872 20 5 FFBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCCC[C@@H]1CC1(O)CCCCC1 ZINC000887035089 1008988115 /nfs/dbraw/zinc/98/81/15/1008988115.db2.gz GGIUQFXPBQPWNZ-MRXNPFEDSA-N 1 0 363.458 2.696 20 5 FFBDRO C[N@@H+]1C[C@H](C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)[C@@H](c2ccccc2)C1 ZINC000860437507 1009002105 /nfs/dbraw/zinc/00/21/05/1009002105.db2.gz WRKPRSSKODMCDK-MOPGFXCFSA-N 1 0 365.433 2.825 20 5 FFBDRO O=[N+]([O-])c1cccc([C@@H](O)CN2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)c1 ZINC000823481618 1009085532 /nfs/dbraw/zinc/08/55/32/1009085532.db2.gz KMJIAHZTLLHAGP-TYPHKJRUSA-N 1 0 367.449 2.835 20 5 FFBDRO C[C@H](C[N+](=O)[O-])OC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccncc1 ZINC000860787421 1009150745 /nfs/dbraw/zinc/15/07/45/1009150745.db2.gz LYPFLUVREZXIJX-AYOQOUSVSA-N 1 0 369.421 2.506 20 5 FFBDRO Cc1ccc(CN2CCOCC2)cc1NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000129259292 1009283340 /nfs/dbraw/zinc/28/33/40/1009283340.db2.gz XGYMPTLNDANMHH-UHFFFAOYSA-N 1 0 370.409 2.570 20 5 FFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H](CO)Cc1ccccc1 ZINC000130357190 1009330692 /nfs/dbraw/zinc/33/06/92/1009330692.db2.gz YEXADZHSAOJFOA-PBHICJAKSA-N 1 0 357.410 2.505 20 5 FFBDRO O=C(OCC12CCC[NH+](CCC1)C2)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000861363255 1009376813 /nfs/dbraw/zinc/37/68/13/1009376813.db2.gz RVTJYMCCHGBSRW-UHFFFAOYSA-N 1 0 370.409 2.813 20 5 FFBDRO C[C@H]([NH2+][C@H]1CCc2ccccc2OC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000509520286 1009533073 /nfs/dbraw/zinc/53/30/73/1009533073.db2.gz CHOMXCUOLPDUSM-BBRMVZONSA-N 1 0 355.394 2.905 20 5 FFBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000862631376 1009907696 /nfs/dbraw/zinc/90/76/96/1009907696.db2.gz OPHPGMQNPYKBMB-AWEZNQCLSA-N 1 0 365.405 2.636 20 5 FFBDRO CCCN(C(=O)c1cc([N+](=O)[O-])n[nH]1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000889489703 1009990224 /nfs/dbraw/zinc/99/02/24/1009990224.db2.gz UVAHBZQRYBRBDD-UHFFFAOYSA-N 1 0 371.441 2.835 20 5 FFBDRO O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCC([NH2+]C2CCC2)CC1 ZINC000889836642 1010146514 /nfs/dbraw/zinc/14/65/14/1010146514.db2.gz SNQYVPGTVKBZGF-UHFFFAOYSA-N 1 0 369.425 2.527 20 5 FFBDRO COc1ccccc1[C@H](O)C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000774134024 1010487509 /nfs/dbraw/zinc/48/75/09/1010487509.db2.gz KACCUZCUNLHICD-OWCLPIDISA-N 1 0 360.414 2.607 20 5 FFBDRO COc1cccc([C@H](CNc2cc(F)c([N+](=O)[O-])cc2CO)[NH+](C)C)c1 ZINC000865407384 1010776710 /nfs/dbraw/zinc/77/67/10/1010776710.db2.gz HKTVOIIXRFUFCM-SFHVURJKSA-N 1 0 363.389 2.950 20 5 FFBDRO COCCOc1ncccc1C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866232385 1010956122 /nfs/dbraw/zinc/95/61/22/1010956122.db2.gz DXGFARLJOXURBT-ZDUSSCGKSA-N 1 0 363.389 2.875 20 5 FFBDRO C[C@@H]1CC[C@H](C(N)=O)[C@@H](C)[N@@H+]1Cc1cccc([N+](=O)[O-])c1Br ZINC001171598183 1011396804 /nfs/dbraw/zinc/39/68/04/1011396804.db2.gz CIHNGXZTLHVDGV-FOGDFJRCSA-N 1 0 370.247 2.832 20 5 FFBDRO Nc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001171836231 1011498560 /nfs/dbraw/zinc/49/85/60/1011498560.db2.gz SGWQRRWYLGGZPW-KRWDZBQOSA-N 1 0 368.437 2.962 20 5 FFBDRO COC(=O)Cc1ccc(N2CCCC3(CC[NH+](C)CC3)C2)c([N+](=O)[O-])c1 ZINC000828077635 1032593760 /nfs/dbraw/zinc/59/37/60/1032593760.db2.gz QAJPELOGWLJBMQ-UHFFFAOYSA-N 1 0 361.442 2.623 20 5 FFBDRO O=C(NCC[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1ccccc1 ZINC001172899022 1012073793 /nfs/dbraw/zinc/07/37/93/1012073793.db2.gz KOIXNMLDMOCQFO-SFHVURJKSA-N 1 0 353.422 2.862 20 5 FFBDRO Cn1c(=O)ccc2c1CC[C@H]([NH2+][C@@H]1CCc3ccc([N+](=O)[O-])cc3CC1)C2 ZINC001172898949 1012073925 /nfs/dbraw/zinc/07/39/25/1012073925.db2.gz JXPAVGJAPAAIEX-MSOLQXFVSA-N 1 0 367.449 2.688 20 5 FFBDRO O=C1CCCN1C1CC[NH+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172921302 1012101725 /nfs/dbraw/zinc/10/17/25/1012101725.db2.gz OBURNSFIVYJOCJ-KRWDZBQOSA-N 1 0 357.454 2.929 20 5 FFBDRO O=C1CCC[C@@]2(CCC[N@@H+]([C@@H]3CCc4ccc([N+](=O)[O-])cc4CC3)C2)N1 ZINC001172910549 1012123714 /nfs/dbraw/zinc/12/37/14/1012123714.db2.gz YWRLWKLMWMCXQE-XLIONFOSSA-N 1 0 357.454 2.977 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CCn2nc(C)cc2C)c1F ZINC001173175106 1012318539 /nfs/dbraw/zinc/31/85/39/1012318539.db2.gz KVZGKVKXKUOHTG-LLVKDONJSA-N 1 0 350.394 2.777 20 5 FFBDRO CCOC(=O)CCCC[NH2+][C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173176526 1012319713 /nfs/dbraw/zinc/31/97/13/1012319713.db2.gz HUWURQQIJCIETO-GFCCVEGCSA-N 1 0 356.394 2.997 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@H]2CCN(C(=O)C(C)C)C2)c1F ZINC001173177907 1012322538 /nfs/dbraw/zinc/32/25/38/1012322538.db2.gz FRTMAMYCIPUKIP-OLZOCXBDSA-N 1 0 367.421 2.520 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CCC[C@](F)(CO)CC2)c1F ZINC001173180033 1012324954 /nfs/dbraw/zinc/32/49/54/1012324954.db2.gz ICRAJDFRILJDPH-YVEFUNNKSA-N 1 0 358.385 2.860 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CCC[N@@H+]3CCC[C@H]3C2)c1F ZINC001173190521 1012331301 /nfs/dbraw/zinc/33/13/01/1012331301.db2.gz UUFJUGKNZLRXQW-KGLIPLIRSA-N 1 0 351.422 2.844 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N(c2ccccn2)[C@@H]2CC[NH2+]C2)c1F ZINC001173192510 1012336072 /nfs/dbraw/zinc/33/60/72/1012336072.db2.gz LRRLBCSPPWBROR-UONOGXRCSA-N 1 0 374.416 2.937 20 5 FFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H]2CCN(C(=O)c3ccco3)[C@@H]2C1 ZINC001173223250 1012355353 /nfs/dbraw/zinc/35/53/53/1012355353.db2.gz AMBURFQUUOITPN-QILLFSRXSA-N 1 0 369.421 2.965 20 5 FFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCN(C(=O)c2ccco2)CC1 ZINC001173235399 1012366408 /nfs/dbraw/zinc/36/64/08/1012366408.db2.gz WQDQRSIWNHIMFM-OAHLLOKOSA-N 1 0 357.410 2.967 20 5 FFBDRO Cc1nccc(N([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C2CC[NH2+]CC2)n1 ZINC001173237077 1012382081 /nfs/dbraw/zinc/38/20/81/1012382081.db2.gz HLQFCVARGTXUEJ-AWEZNQCLSA-N 1 0 355.442 2.883 20 5 FFBDRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000870976200 1012662931 /nfs/dbraw/zinc/66/29/31/1012662931.db2.gz UNXSXYZMDYCAKP-UBSAEIQESA-N 1 0 372.450 2.979 20 5 FFBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC000925898411 1017887835 /nfs/dbraw/zinc/88/78/35/1017887835.db2.gz KOFXTRXMLOCYHI-KRWDZBQOSA-N 1 0 371.441 2.824 20 5 FFBDRO Cn1nnc2c1C[C@H]([NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])CC2 ZINC000927150433 1018381183 /nfs/dbraw/zinc/38/11/83/1018381183.db2.gz LRDGGZSVGHHLOG-BMFZPTHFSA-N 1 0 355.442 2.582 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@H]2C[C@@](CO)(c3ccccc3)C2)n1 ZINC000927157038 1018384215 /nfs/dbraw/zinc/38/42/15/1018384215.db2.gz NFOFDIKNBBCVAL-MLYOOKFZSA-N 1 0 370.453 2.957 20 5 FFBDRO C[NH+](C)CC[C@H](NC(=O)CSc1ccccc1[N+](=O)[O-])c1cccnc1 ZINC000928841563 1019157344 /nfs/dbraw/zinc/15/73/44/1019157344.db2.gz WPVYOKZPXTTZKE-HNNXBMFYSA-N 1 0 374.466 2.891 20 5 FFBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000801822638 1019417497 /nfs/dbraw/zinc/41/74/97/1019417497.db2.gz SLYAIHDLBZKHMK-CHWSQXEVSA-N 1 0 366.437 2.804 20 5 FFBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc(-c2ccc3c(c2)CC[NH2+]CC3)n1 ZINC001217673371 1032831524 /nfs/dbraw/zinc/83/15/24/1032831524.db2.gz AXEZDGWKOHKUFH-UHFFFAOYSA-N 1 0 355.329 2.534 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H](O)CN2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccccc2)c1 ZINC000931490944 1020488786 /nfs/dbraw/zinc/48/87/86/1020488786.db2.gz IJMKQIHAHCUBEE-SLFFLAALSA-N 1 0 353.422 2.587 20 5 FFBDRO O=[N+]([O-])c1cc(Br)c(F)cc1O[C@H]1CCC[NH2+]C[C@H]1F ZINC001217947415 1032913842 /nfs/dbraw/zinc/91/38/42/1032913842.db2.gz RIUAOTCROBYNFI-KOLCDFICSA-N 1 0 351.147 2.965 20 5 FFBDRO COc1cc([C@@H](C)[NH2+][C@@H]2CCCN(c3ncccn3)C2)cc([N+](=O)[O-])c1 ZINC000903072323 1020663208 /nfs/dbraw/zinc/66/32/08/1020663208.db2.gz IPBMVARQUCJQOC-UKRRQHHQSA-N 1 0 357.414 2.713 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H](c2ccn(C)n2)C1 ZINC000932133624 1020714497 /nfs/dbraw/zinc/71/44/97/1020714497.db2.gz FBJPOJAXTHJSFU-HNNXBMFYSA-N 1 0 371.441 2.845 20 5 FFBDRO Cc1c(NC(=O)CC[N@H+]2CCN(C)C[C@H]2CC(C)C)cccc1[N+](=O)[O-] ZINC000933248916 1020984593 /nfs/dbraw/zinc/98/45/93/1020984593.db2.gz OHORNNWZQDJNRU-MRXNPFEDSA-N 1 0 362.474 2.894 20 5 FFBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000749801185 1021037577 /nfs/dbraw/zinc/03/75/77/1021037577.db2.gz BUEZBOGHUVNSGY-UHFFFAOYSA-N 1 0 367.450 2.559 20 5 FFBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000933944549 1021118413 /nfs/dbraw/zinc/11/84/13/1021118413.db2.gz HWNPLBRVASAECB-IPELMVKDSA-N 1 0 357.454 2.889 20 5 FFBDRO Cc1cc(N2CCC(Nc3nc4ccccn4c3[N+](=O)[O-])CC2)nc(C)n1 ZINC000750030042 1021247228 /nfs/dbraw/zinc/24/72/28/1021247228.db2.gz HPKKOPAMHRRSIX-UHFFFAOYSA-N 1 0 367.413 2.730 20 5 FFBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(C2CC[NH2+]CC2)cs1 ZINC001118124009 1022076604 /nfs/dbraw/zinc/07/66/04/1022076604.db2.gz XJNBRVZAWQCVCR-UHFFFAOYSA-N 1 0 361.427 2.812 20 5 FFBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1ccc(C[NH+](C)C)cc1 ZINC000750582276 1022204401 /nfs/dbraw/zinc/20/44/01/1022204401.db2.gz WIHWGTQUFRILQE-UHFFFAOYSA-N 1 0 370.453 2.995 20 5 FFBDRO Cc1c([N+](=O)[O-])cc(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000016599430 1022281620 /nfs/dbraw/zinc/28/16/20/1022281620.db2.gz SXGBBQJAPJXTNY-KRWDZBQOSA-N 1 0 372.381 2.844 20 5 FFBDRO O=C(OCc1cccnc1[N+](=O)[O-])[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001119396144 1022738349 /nfs/dbraw/zinc/73/83/49/1022738349.db2.gz DIXHEQGUARBXFP-INIZCTEOSA-N 1 0 355.394 2.945 20 5 FFBDRO Cc1c(CC(=O)N2CCC(C[NH3+])(c3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC001122269184 1023157032 /nfs/dbraw/zinc/15/70/32/1023157032.db2.gz GEFZUMBCZBLCQR-UHFFFAOYSA-N 1 0 367.449 2.965 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N3CC[C@@H]4CC[C@]43C[NH3+])cc2[N+](=O)[O-])CC1 ZINC001122410161 1023251149 /nfs/dbraw/zinc/25/11/49/1023251149.db2.gz JNHRQPQTHPFLJQ-JXFKEZNVSA-N 1 0 372.469 2.785 20 5 FFBDRO C[N@H+](CCCO)C1CCN(c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC1 ZINC001120545605 1023354838 /nfs/dbraw/zinc/35/48/38/1023354838.db2.gz FNSNQYGIMXQDRX-UHFFFAOYSA-N 1 0 361.364 2.897 20 5 FFBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2c3ccc(C)cc3[C@@H]3C[N@@H+](C)CC[C@@H]32)n1 ZINC000756624642 1023736527 /nfs/dbraw/zinc/73/65/27/1023736527.db2.gz BMSIWOMFRRLRQT-HOCLYGCPSA-N 1 0 369.425 2.568 20 5 FFBDRO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccnc(-c4ccccc4)c3[N+](=O)[O-])[C@H]2C1 ZINC001124004202 1024217947 /nfs/dbraw/zinc/21/79/47/1024217947.db2.gz UWAMOBIPLHOQMG-BHYGNILZSA-N 1 0 366.421 2.727 20 5 FFBDRO COc1ccc(CCNC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)cc1 ZINC001124409500 1024329341 /nfs/dbraw/zinc/32/93/41/1024329341.db2.gz UIWLFVJBQLQXLX-UHFFFAOYSA-N 1 0 366.377 2.762 20 5 FFBDRO C[NH+](C)CCN(Cc1ccccc1F)c1nc2ccccn2c1[N+](=O)[O-] ZINC000759696594 1024726480 /nfs/dbraw/zinc/72/64/80/1024726480.db2.gz KBDBAPPCNRSGEF-UHFFFAOYSA-N 1 0 357.389 2.950 20 5 FFBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000195625033 1025037258 /nfs/dbraw/zinc/03/72/58/1025037258.db2.gz MTJDFOGZYXHWPN-XQQFMLRXSA-N 1 0 364.402 2.599 20 5 FFBDRO O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1NC1CC([NH+]2CCCCC2)C1 ZINC000795261718 1025408386 /nfs/dbraw/zinc/40/83/86/1025408386.db2.gz WRWNRZWOURBTOA-UHFFFAOYSA-N 1 0 358.442 2.916 20 5 FFBDRO Cc1c(C(=O)NCCCC[N@@H+](C)C2CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000837225357 1025666271 /nfs/dbraw/zinc/66/62/71/1025666271.db2.gz QSXCSSDOUAUGPU-UHFFFAOYSA-N 1 0 364.402 2.724 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001141339953 1025950673 /nfs/dbraw/zinc/95/06/73/1025950673.db2.gz XUJYUPCMROCSJQ-BWTSREIZSA-N 1 0 351.406 2.763 20 5 FFBDRO CC(C)(C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])[C@@H]1COCC12OCCO2 ZINC000839177120 1026612490 /nfs/dbraw/zinc/61/24/90/1026612490.db2.gz VKIDIGYRCWJPKK-WVRJYTFGSA-N 1 0 362.426 2.613 20 5 FFBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@@H+]1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000840130501 1026973035 /nfs/dbraw/zinc/97/30/35/1026973035.db2.gz OZNJTNZDEHCZOF-CABCVRRESA-N 1 0 373.409 2.741 20 5 FFBDRO Cc1nc(Cl)nc(N2CCC3(CC2)[NH2+]Cc2ccccc23)c1[N+](=O)[O-] ZINC001159026719 1027235935 /nfs/dbraw/zinc/23/59/35/1027235935.db2.gz XKATUYJUTFGTHX-UHFFFAOYSA-N 1 0 359.817 2.946 20 5 FFBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N[C@@H](Cc1ccccc1)C[NH+]1CCCC1 ZINC001159654651 1027457774 /nfs/dbraw/zinc/45/77/74/1027457774.db2.gz ZYOYMZFMXVKKPK-KRWDZBQOSA-N 1 0 356.426 2.656 20 5 FFBDRO CCOC(=O)CN(CC[NH3+])c1ccc2ccc3ccc(Cl)nc3c2n1 ZINC001159864313 1027521583 /nfs/dbraw/zinc/52/15/83/1027521583.db2.gz PDIOEOQGUHQTFK-UHFFFAOYSA-N 1 0 358.829 2.765 20 5 FFBDRO [NH3+][C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1Nc1cc([N+](=O)[O-])cc[n+]1[O-] ZINC001160632732 1027781166 /nfs/dbraw/zinc/78/11/66/1027781166.db2.gz ORAUFFLNXBGBRW-JSRAGOMMSA-N 1 0 374.400 2.627 20 5 FFBDRO CN(C)/C=C/c1cc(NCC[NH+]2CCC(F)(F)CC2)ncc1[N+](=O)[O-] ZINC001160752256 1027860389 /nfs/dbraw/zinc/86/03/89/1027860389.db2.gz LWAWHDHAOBKALE-XVNBXDOJSA-N 1 0 355.389 2.665 20 5 FFBDRO [NH3+][C@H]1CC[C@H](N(c2ccncn2)c2ncnc3cc([N+](=O)[O-])ccc32)CC1 ZINC001161364581 1028147340 /nfs/dbraw/zinc/14/73/40/1028147340.db2.gz SGCGWWMNGVWJJR-JOCQHMNTSA-N 1 0 365.397 2.736 20 5 FFBDRO O=[N+]([O-])c1ccc2ncc(NC3(Cc4ccccn4)CC[NH2+]CC3)nc2c1 ZINC001161491251 1028198252 /nfs/dbraw/zinc/19/82/52/1028198252.db2.gz IJYKUMJMLUHYFY-UHFFFAOYSA-N 1 0 364.409 2.710 20 5 FFBDRO Cc1cc(Cl)c([N+](=O)[O-])c(NC[C@H]2CCC3(CC[NH2+]CC3)CO2)n1 ZINC001155381507 1028709967 /nfs/dbraw/zinc/70/99/67/1028709967.db2.gz BUVNMFKCSRVFOU-GFCCVEGCSA-N 1 0 354.838 2.912 20 5 FFBDRO O=[N+]([O-])c1cc2c(ncnc2NC[C@@H]2CCC3(CC[NH2+]CC3)CO2)s1 ZINC001162956954 1028730187 /nfs/dbraw/zinc/73/01/87/1028730187.db2.gz HTSUDLSHGRILDD-NSHDSACASA-N 1 0 363.443 2.560 20 5 FFBDRO COc1nc(N[C@@H]2CC3(CC[NH2+]CC3)c3ccc(C)cc32)ncc1[N+](=O)[O-] ZINC001155431614 1028730623 /nfs/dbraw/zinc/73/06/23/1028730623.db2.gz VLTUKJDBEVOBHA-OAHLLOKOSA-N 1 0 369.425 2.880 20 5 FFBDRO COc1ncnc(N[C@H]2CC3(CC[NH2+]CC3)c3ccc(C)cc32)c1[N+](=O)[O-] ZINC001155436021 1028735132 /nfs/dbraw/zinc/73/51/32/1028735132.db2.gz BNFJABPPMZVRPU-HNNXBMFYSA-N 1 0 369.425 2.880 20 5 FFBDRO COC(=O)c1c(C)c([N+](=O)[O-])ccc1NCC[C@@H]1C[NH2+]Cc2cccn2C1 ZINC001163064724 1028784749 /nfs/dbraw/zinc/78/47/49/1028784749.db2.gz FUCBFXZQGVPHRY-CQSZACIVSA-N 1 0 372.425 2.713 20 5 FFBDRO C[C@@H](CN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)[NH+]1CCCCC1 ZINC000780763426 1028798885 /nfs/dbraw/zinc/79/88/85/1028798885.db2.gz BZCASKLTVYQNMG-YJBOKZPZSA-N 1 0 357.458 2.882 20 5 FFBDRO Cn1c2ccccc2c(N2CCC[C@@H]2C[NH+]2CCCCC2)c([N+](=O)[O-])c1=O ZINC001163105609 1028799054 /nfs/dbraw/zinc/79/90/54/1028799054.db2.gz BXKGGSYNJSMUIA-OAHLLOKOSA-N 1 0 370.453 2.901 20 5 FFBDRO COc1c([N+](=O)[O-])cc(Cl)c(C)c1NCc1noc2c1C[NH2+]CC2 ZINC001163134308 1028818445 /nfs/dbraw/zinc/81/84/45/1028818445.db2.gz NJBJFJGFQSLKFR-UHFFFAOYSA-N 1 0 352.778 2.811 20 5 FFBDRO O=C1C[C@H]2[NH2+]CC[C@@]2(Nc2cnc3c4ccccc4c4ccccc4c3n2)N1 ZINC001163235922 1028851042 /nfs/dbraw/zinc/85/10/42/1028851042.db2.gz GXMCPXGWMBSSQU-VGOFRKELSA-N 1 0 369.428 2.926 20 5 FFBDRO O=C(Nc1cccnc1N[C@H]1CC[C@@H]2C[NH2+]C[C@@H]21)c1ccccc1[N+](=O)[O-] ZINC001163261404 1028859548 /nfs/dbraw/zinc/85/95/48/1028859548.db2.gz VBAPDZVWJPWJEN-SNPRPXQTSA-N 1 0 367.409 2.652 20 5 FFBDRO CO[C@H](C[NH+]1CCN(c2ncc([N+](=O)[O-])cc2C)CC1)c1ccccc1 ZINC001155705483 1028860025 /nfs/dbraw/zinc/86/00/25/1028860025.db2.gz HKGLNFWGWAZPSK-GOSISDBHSA-N 1 0 356.426 2.808 20 5 FFBDRO CO[C@@H](C[NH+]1CCN(c2ccc([N+](=O)[O-])c(C)n2)CC1)c1ccccc1 ZINC001155706561 1028862034 /nfs/dbraw/zinc/86/20/34/1028862034.db2.gz RXBPUZWFVYSEPB-SFHVURJKSA-N 1 0 356.426 2.808 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2ccc(NC[C@@H]3CO[C@]4(C3)CCC[NH2+]C4)nn2)c1 ZINC001163279371 1028870674 /nfs/dbraw/zinc/87/06/74/1028870674.db2.gz MWHGKZFLUMJEOF-KUHUBIRLSA-N 1 0 369.425 2.622 20 5 FFBDRO COc1cccc([C@@H](C[NH3+])Nc2nc(SC)nc(Cl)c2[N+](=O)[O-])c1 ZINC001163306921 1028882939 /nfs/dbraw/zinc/88/29/39/1028882939.db2.gz SYTQOWNDHQGKSE-SNVBAGLBSA-N 1 0 369.834 2.881 20 5 FFBDRO C[NH+](C)CCOc1cc(N[C@@H]2CCc3[nH]c(=O)ccc3C2)ccc1[N+](=O)[O-] ZINC001163554627 1028969344 /nfs/dbraw/zinc/96/93/44/1028969344.db2.gz GGXLXFXXCYDSDD-CQSZACIVSA-N 1 0 372.425 2.605 20 5 FFBDRO O=C(c1cc(=S)cc2[nH]c3ccccc3nc1-2)N1CC[N@@H+]2CC[C@@H]2C1 ZINC001155996103 1029006024 /nfs/dbraw/zinc/00/60/24/1029006024.db2.gz KOUAPZVUHSARBX-GFCCVEGCSA-N 1 0 350.447 2.927 20 5 FFBDRO C[C@@H](C[NH+](C)C)Nc1c2ccc(Br)cc2ncc1[N+](=O)[O-] ZINC001163776899 1029059319 /nfs/dbraw/zinc/05/93/19/1029059319.db2.gz OEABMKWVNOXOOP-VIFPVBQESA-N 1 0 353.220 2.689 20 5 FFBDRO Cc1cc(NCC2([NH+](C)C)CCN(C)CC2)nc2ccc([N+](=O)[O-])cc12 ZINC001156175815 1029076638 /nfs/dbraw/zinc/07/66/38/1029076638.db2.gz GEBWLGDGDTXXMB-UHFFFAOYSA-N 1 0 357.458 2.889 20 5 FFBDRO CC(C)(O)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC001163882133 1029103689 /nfs/dbraw/zinc/10/36/89/1029103689.db2.gz NQLQFYWHZXCBMD-JTQLQIEISA-N 1 0 358.236 2.614 20 5 FFBDRO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1NCC[C@@H]1CCC[N@H+](C)C1 ZINC001156381592 1029172399 /nfs/dbraw/zinc/17/23/99/1029172399.db2.gz SILFTAUGCNOTRM-NSHDSACASA-N 1 0 370.837 2.964 20 5 FFBDRO Cc1cnc(NC2(C(=O)OC(C)(C)C)CCC([NH3+])CC2)c([N+](=O)[O-])c1 ZINC001156794622 1029349659 /nfs/dbraw/zinc/34/96/59/1029349659.db2.gz KRYHQWBKOCGRBW-UHFFFAOYSA-N 1 0 350.419 2.692 20 5 FFBDRO O=[N+]([O-])c1ccc2ccc(N3CC[NH+](CCc4ccncc4)CC3)nc2c1 ZINC001165060530 1029357771 /nfs/dbraw/zinc/35/77/71/1029357771.db2.gz QZIYRGVKLVNERV-UHFFFAOYSA-N 1 0 363.421 2.903 20 5 FFBDRO C[C@@H](NC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000781991485 1029511822 /nfs/dbraw/zinc/51/18/22/1029511822.db2.gz UKHRLDZFCLFFQV-GFCCVEGCSA-N 1 0 366.418 2.528 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(-n2nc(C3CC[NH2+]CC3)c3ccccc32)c1 ZINC001157381057 1029570593 /nfs/dbraw/zinc/57/05/93/1029570593.db2.gz MVTAMWBUUOWBRY-UHFFFAOYSA-N 1 0 373.800 2.688 20 5 FFBDRO O=[N+]([O-])c1ccc2ncnc(NC3CC[NH+](C[C@@H]4CCCO4)CC3)c2c1 ZINC000782142968 1029589605 /nfs/dbraw/zinc/58/96/05/1029589605.db2.gz RBQMRGVNMADSFU-HNNXBMFYSA-N 1 0 357.414 2.593 20 5 FFBDRO COc1cc2ncnc(N3CCCC[C@]34CCC[NH2+]C4)c2cc1[N+](=O)[O-] ZINC001157471711 1029593527 /nfs/dbraw/zinc/59/35/27/1029593527.db2.gz NEABICKDDNHKTF-GOSISDBHSA-N 1 0 357.414 2.659 20 5 FFBDRO CCC[N@H+]1C[C@H]2CN(C(F)(F)c3cc([N+](=O)[O-])cnc3Cl)C[C@H]2C1 ZINC001157692925 1029646566 /nfs/dbraw/zinc/64/65/66/1029646566.db2.gz ZLRYGFRHAWKIRD-PHIMTYICSA-N 1 0 360.792 2.966 20 5 FFBDRO C[NH2+]CCN(c1nc(C(F)(F)F)nc(Cl)c1[N+](=O)[O-])C(C)(C)C ZINC001157833745 1029672149 /nfs/dbraw/zinc/67/21/49/1029672149.db2.gz PHYCUZFSVIXNQJ-UHFFFAOYSA-N 1 0 355.748 2.881 20 5 FFBDRO Cc1cc(-n2nnc(-c3cccc(C[NH3+])c3)n2)nc2ccc([N+](=O)[O-])cc12 ZINC001158043370 1029716822 /nfs/dbraw/zinc/71/68/22/1029716822.db2.gz XKXKXVFNFKQPBY-UHFFFAOYSA-N 1 0 361.365 2.553 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N[C@@H]1CC(C)(C)C[C@@](C)(C[NH3+])C1 ZINC001158270316 1029781823 /nfs/dbraw/zinc/78/18/23/1029781823.db2.gz UYIPDZRBGCUBGB-DIFFPNOSSA-N 1 0 350.419 2.732 20 5 FFBDRO COc1ccnc(N(c2ncc([N+](=O)[O-])cc2Cl)C2CC[NH2+]CC2)c1 ZINC001158320915 1029796435 /nfs/dbraw/zinc/79/64/35/1029796435.db2.gz SNXZYHSKXQZORI-UHFFFAOYSA-N 1 0 363.805 2.937 20 5 FFBDRO CCOc1nc(N2CCC3(CC[NH2+]CC3)[C@H]2C(F)(F)F)ccc1[N+](=O)[O-] ZINC001165272217 1029925437 /nfs/dbraw/zinc/92/54/37/1029925437.db2.gz ZGMBYCPMHSVNDC-AWEZNQCLSA-N 1 0 374.363 2.899 20 5 FFBDRO O=[N+]([O-])c1cc(N2CCC3(CC[NH2+]CC3)[C@H]2C(F)(F)F)nc2[nH]ccc21 ZINC001165271815 1029926092 /nfs/dbraw/zinc/92/60/92/1029926092.db2.gz WWBNNQUIFLNLCZ-AWEZNQCLSA-N 1 0 369.347 2.982 20 5 FFBDRO [NH3+]C1([C@@H]2CN(c3cc4ncnc(Cl)c4cc3[N+](=O)[O-])C[C@@H]2CF)CC1 ZINC001165428224 1029978743 /nfs/dbraw/zinc/97/87/43/1029978743.db2.gz AFRHGWCSYXBHHZ-GXSJLCMTSA-N 1 0 365.796 2.705 20 5 FFBDRO O=[N+]([O-])c1cc(F)cnc1-n1nc(-c2ccc(F)cc2)c2c1CC[NH2+]CC2 ZINC001165821910 1030136537 /nfs/dbraw/zinc/13/65/37/1030136537.db2.gz ILCXIEMSVPLLRR-UHFFFAOYSA-N 1 0 371.347 2.809 20 5 FFBDRO Cc1cc([N+](=O)[O-])cnc1N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001165908699 1030165946 /nfs/dbraw/zinc/16/59/46/1030165946.db2.gz MZZCYUOLBMVORX-UHFFFAOYSA-N 1 0 356.430 2.547 20 5 FFBDRO C[NH2+]Cc1cccc(NC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000841314162 1030184773 /nfs/dbraw/zinc/18/47/73/1030184773.db2.gz VKSVIKCTZUDRON-UHFFFAOYSA-N 1 0 369.425 2.668 20 5 FFBDRO C[NH2+]C[C@@H](C)c1noc(-c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)n1 ZINC000842576519 1030794337 /nfs/dbraw/zinc/79/43/37/1030794337.db2.gz JCNGMVXTEUHQMF-LLVKDONJSA-N 1 0 370.413 2.829 20 5 FFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001534856215 1069693061 /nfs/dbraw/zinc/69/30/61/1069693061.db2.gz AJBRGQFJWFFFCJ-YOEHRIQHSA-N 1 0 368.437 2.796 20 5 FFBDRO O=C1N(C[N@@H+]2CCC[C@H]2[C@@H]2CCCOC2)CCN1c1ccccc1[N+](=O)[O-] ZINC000842620099 1030835793 /nfs/dbraw/zinc/83/57/93/1030835793.db2.gz YRTATGJDMZCBII-CVEARBPZSA-N 1 0 374.441 2.685 20 5 FFBDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1OC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000797338983 1031074284 /nfs/dbraw/zinc/07/42/84/1031074284.db2.gz GUAFQNPSOBSALF-MRXNPFEDSA-N 1 0 372.425 2.635 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](C(=O)Nc2ccccn2)C1 ZINC000797518478 1031143764 /nfs/dbraw/zinc/14/37/64/1031143764.db2.gz GICQPQZNHRYRCV-HNNXBMFYSA-N 1 0 370.409 2.849 20 5 FFBDRO CCOC(=O)CC[C@@H]1CCC[N@H+](Cc2ccc(O)c(OC)c2[N+](=O)[O-])C1 ZINC001204640316 1031397048 /nfs/dbraw/zinc/39/70/48/1031397048.db2.gz HORXICALXPDIKY-ZDUSSCGKSA-N 1 0 366.414 2.864 20 5 FFBDRO Cc1c(C(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000843502751 1031432618 /nfs/dbraw/zinc/43/26/18/1031432618.db2.gz FQVSONLUGSBACA-GFCCVEGCSA-N 1 0 362.386 2.524 20 5 FFBDRO O=C(c1cccc([N+](=O)[O-])c1Cl)N1CCN[C@H](c2ccc(O)cc2)C1 ZINC001149932973 1031621556 /nfs/dbraw/zinc/62/15/56/1031621556.db2.gz UHUAVHMJRBZEGO-AWEZNQCLSA-N 1 0 361.785 2.741 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001150942068 1031819161 /nfs/dbraw/zinc/81/91/61/1031819161.db2.gz NOFUHAZUNQSSSH-KRWDZBQOSA-N 1 0 353.422 2.868 20 5 FFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC001218713956 1033296915 /nfs/dbraw/zinc/29/69/15/1033296915.db2.gz RPPVSFKTJCQIHR-NSHDSACASA-N 1 0 370.837 2.523 20 5 FFBDRO C[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(N2CCNC2=O)cc1 ZINC000829743378 1033318537 /nfs/dbraw/zinc/31/85/37/1033318537.db2.gz AIARKVOBBLKKMS-ACJLOTCBSA-N 1 0 370.409 2.509 20 5 FFBDRO Nc1cc2nc3ccccc3nc2cc1NC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC001218856999 1033379134 /nfs/dbraw/zinc/37/91/34/1033379134.db2.gz HSSQWZJWUMEDJC-JTQLQIEISA-N 1 0 357.364 2.549 20 5 FFBDRO CN(C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)C(C)(C)C[NH+]1CCCCCC1 ZINC000829952725 1033408345 /nfs/dbraw/zinc/40/83/45/1033408345.db2.gz PFLYQKHOTSWIOG-KRWDZBQOSA-N 1 0 363.458 2.741 20 5 FFBDRO COc1ccc(COC[C@H]2CCC3(CC[NH+](C)CC3)O2)c([N+](=O)[O-])c1 ZINC001223514437 1033476890 /nfs/dbraw/zinc/47/68/90/1033476890.db2.gz UMZSLMCPGGXEKE-MRXNPFEDSA-N 1 0 350.415 2.763 20 5 FFBDRO COc1cc(CO[C@H]2[C@@H]3CCC[C@H]2C[N@@H+](C)C3)c([N+](=O)[O-])cc1OC ZINC001223907638 1033639673 /nfs/dbraw/zinc/63/96/73/1033639673.db2.gz ULAMXUKDXLRTFV-MCBXIFIFSA-N 1 0 350.415 2.859 20 5 FFBDRO CC(C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc4ccc5cccnc5c4n3)C[C@H]21 ZINC001232222781 1035503562 /nfs/dbraw/zinc/50/35/62/1035503562.db2.gz QNMHWZGOLFPJOG-WGMWDUQUSA-N 1 0 360.461 2.985 20 5 FFBDRO COCCC[NH+]1CCN(Cc2ccc3ccc4cccnc4c3n2)CC1 ZINC001232223032 1035504055 /nfs/dbraw/zinc/50/40/55/1035504055.db2.gz JGMFGPPZEQSOIW-UHFFFAOYSA-N 1 0 350.466 2.937 20 5 FFBDRO CC[N@@H+]1CC[C@@H](Oc2ccccc2C(=O)Nc2ncc([N+](=O)[O-])s2)C1 ZINC001227515534 1035593232 /nfs/dbraw/zinc/59/32/32/1035593232.db2.gz LSGDOUXCTDDICN-LLVKDONJSA-N 1 0 362.411 2.777 20 5 FFBDRO COC(=O)c1cccc(O[C@@H]2CC[N@@H+]([C@@H](C)c3ccccn3)C2)c1[N+](=O)[O-] ZINC001227896014 1035792743 /nfs/dbraw/zinc/79/27/43/1035792743.db2.gz DVALRZJQGJAYER-UONOGXRCSA-N 1 0 371.393 2.991 20 5 FFBDRO C[N@@H+]1CCC[C@H](Oc2ccc([N+](=O)[O-])c(I)c2)C1 ZINC001227992476 1035856713 /nfs/dbraw/zinc/85/67/13/1035856713.db2.gz RJMRFJFPPDPGIC-JTQLQIEISA-N 1 0 362.167 2.672 20 5 FFBDRO CN1CCO[C@H](COc2c3ccccc3c(O)c3c(O)ccc(O)c23)C1 ZINC001228169703 1035971480 /nfs/dbraw/zinc/97/14/80/1035971480.db2.gz BLYMIXDQNKJENH-LBPRGKRZSA-N 1 0 355.390 2.819 20 5 FFBDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2Oc1cc(Br)cnc1[N+](=O)[O-] ZINC001229562318 1036746111 /nfs/dbraw/zinc/74/61/11/1036746111.db2.gz FNGDOTWLUIOQIO-DDFAGTSDSA-N 1 0 356.220 2.861 20 5 FFBDRO C[C@H](C[N+](C)(C)C)Oc1cccc(I)c1[N+](=O)[O-] ZINC001229660875 1036812764 /nfs/dbraw/zinc/81/27/64/1036812764.db2.gz QBDAKOFRTVBAGD-SECBINFHSA-N 1 0 365.191 2.673 20 5 FFBDRO C[C@@H](C[NH+](C)C)Oc1c(I)cccc1[N+](=O)[O-] ZINC001229880736 1036955586 /nfs/dbraw/zinc/95/55/86/1036955586.db2.gz SZDDGQMVQPJOJE-QMMMGPOBSA-N 1 0 350.156 2.528 20 5 FFBDRO CCOc1c(Cl)cc(OC(=O)C[C@@H](O)C[N+](C)(C)C)cc1Cl ZINC001234222741 1036965973 /nfs/dbraw/zinc/96/59/73/1036965973.db2.gz ULLGAHFDSVAOFJ-SNVBAGLBSA-N 1 0 351.250 2.755 20 5 FFBDRO O=[N+]([O-])c1c[nH]cc2nc(O[C@@H]3CCC[N@H+](Cc4ccccc4)C3)nc1-2 ZINC001230230187 1037163003 /nfs/dbraw/zinc/16/30/03/1037163003.db2.gz MCJMFANLDJRMSU-CQSZACIVSA-N 1 0 353.382 2.910 20 5 FFBDRO Nc1c(NC(=O)NCc2ccc3c[nH+]cn3c2)cc(Cl)cc1[N+](=O)[O-] ZINC001207941859 1037871719 /nfs/dbraw/zinc/87/17/19/1037871719.db2.gz BXDTUFQIVYZHMV-UHFFFAOYSA-N 1 0 360.761 2.800 20 5 FFBDRO COc1cc(N2CCC([NH2+]C[C@@H]3CCC[C@H](O)C3)CC2)ccc1[N+](=O)[O-] ZINC001256090245 1038374151 /nfs/dbraw/zinc/37/41/51/1038374151.db2.gz PTBRNJHHODVSCF-PBHICJAKSA-N 1 0 363.458 2.713 20 5 FFBDRO COc1cc(N2CCC([N@@H+]3Cc4ccncc4C3)CC2)ccc1[N+](=O)[O-] ZINC001256099748 1038385006 /nfs/dbraw/zinc/38/50/06/1038385006.db2.gz WGIRVZGTDSKAED-UHFFFAOYSA-N 1 0 354.410 2.983 20 5 FFBDRO COc1cc(N2CCC([N@@H+]3CC[C@H](N4CCCC4)C3)CC2)ccc1[N+](=O)[O-] ZINC001256099901 1038385420 /nfs/dbraw/zinc/38/54/20/1038385420.db2.gz ZKJYLUZFTWCAOI-SFHVURJKSA-N 1 0 374.485 2.742 20 5 FFBDRO Nc1c(C(=O)OCCC[NH+]2CCCC2)cc(Br)cc1[N+](=O)[O-] ZINC001256598610 1038577392 /nfs/dbraw/zinc/57/73/92/1038577392.db2.gz DICYJNLFBYYVLF-UHFFFAOYSA-N 1 0 372.219 2.582 20 5 FFBDRO C[C@H]1C[NH+](CCc2nnc(-c3cc(Cl)ccc3[N+](=O)[O-])o2)C[C@H](C)O1 ZINC001258144473 1039224403 /nfs/dbraw/zinc/22/44/03/1039224403.db2.gz CIOGRMWHTBDNKR-QWRGUYRKSA-N 1 0 366.805 2.950 20 5 FFBDRO Cc1cc(F)c(-c2nnc(CC[NH+]3C[C@H](C)O[C@@H](C)C3)o2)cc1[N+](=O)[O-] ZINC001258154641 1039235374 /nfs/dbraw/zinc/23/53/74/1039235374.db2.gz XLHYQYWJUFBETR-RYUDHWBXSA-N 1 0 364.377 2.744 20 5 FFBDRO CC(C)(O)C[NH2+]CCCNC(=O)c1c2ccccc2nc2ccccc21 ZINC001252371382 1039513263 /nfs/dbraw/zinc/51/32/63/1039513263.db2.gz MOVRXVWLDRCOAU-UHFFFAOYSA-N 1 0 351.450 2.868 20 5 FFBDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)Nc2cc(C)cc([N+](=O)[O-])c2)C1 ZINC001210576447 1039618749 /nfs/dbraw/zinc/61/87/49/1039618749.db2.gz AYKWDYHJVCASPO-QGZVFWFLSA-N 1 0 364.446 2.868 20 5 FFBDRO O=[N+]([O-])c1cc(F)ccc1Nc1ccc(N2CC[NH+](CCO)CC2)cc1 ZINC001210954053 1039850109 /nfs/dbraw/zinc/85/01/09/1039850109.db2.gz UNSAMMLYOPXWIG-UHFFFAOYSA-N 1 0 360.389 2.592 20 5 FFBDRO CCOC(=O)c1cc(Nc2cc[nH+]c(N3CCOCC3)c2)cc([N+](=O)[O-])c1 ZINC001211369651 1040110997 /nfs/dbraw/zinc/11/09/97/1040110997.db2.gz IZMAZXUSEIAQPE-UHFFFAOYSA-N 1 0 372.381 2.747 20 5 FFBDRO C[N@H+](CCc1nc(-c2ncc(F)cc2[N+](=O)[O-])no1)Cc1ccccc1 ZINC001248346131 1040239766 /nfs/dbraw/zinc/23/97/66/1040239766.db2.gz JSTNXDPQVOUKFV-UHFFFAOYSA-N 1 0 357.345 2.853 20 5 FFBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@@H]2C[NH2+]C[C@@H]2c2ccccc2)n1 ZINC001249077291 1040572137 /nfs/dbraw/zinc/57/21/37/1040572137.db2.gz OIUMHTIYHJGWBQ-CHWSQXEVSA-N 1 0 355.329 2.650 20 5 FFBDRO COc1cccc(-c2noc(C[C@@H]([NH3+])c3cccc([N+](=O)[O-])c3)n2)c1OC ZINC001249278896 1040663859 /nfs/dbraw/zinc/66/38/59/1040663859.db2.gz QJZSELBJNKONPU-CQSZACIVSA-N 1 0 370.365 2.905 20 5 FFBDRO [NH3+][C@H](Cc1nc(-c2ccc3nccnc3c2)no1)c1cccc([N+](=O)[O-])c1 ZINC001249278023 1040664081 /nfs/dbraw/zinc/66/40/81/1040664081.db2.gz DAJFFNZEWKSCGC-CQSZACIVSA-N 1 0 362.349 2.831 20 5 FFBDRO CN(C)c1ccc(-c2noc(C[C@@H]([NH3+])c3ccccc3[N+](=O)[O-])n2)cc1 ZINC001249342805 1040692054 /nfs/dbraw/zinc/69/20/54/1040692054.db2.gz QQHOJODFWXJGBF-OAHLLOKOSA-N 1 0 353.382 2.953 20 5 FFBDRO O=C1CCC2(CCC([NH2+]C3CCN(c4ccc([N+](=O)[O-])cc4)CC3)CC2)N1 ZINC001254467589 1040735357 /nfs/dbraw/zinc/73/53/57/1040735357.db2.gz CRCYINVBDRNVQT-UHFFFAOYSA-N 1 0 372.469 2.745 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CC3Oc4ccccc4O3)CC2)cc1 ZINC001254469270 1040735857 /nfs/dbraw/zinc/73/58/57/1040735857.db2.gz LJTXJAKDLQDXNM-UHFFFAOYSA-N 1 0 355.394 2.951 20 5 FFBDRO Cc1nc2c(n1C1CCN(c3ccc([N+](=O)[O-])cc3)CC1)CC[NH2+]CC2 ZINC001254474703 1040740769 /nfs/dbraw/zinc/74/07/69/1040740769.db2.gz UAFKYRUKBWYYME-UHFFFAOYSA-N 1 0 355.442 2.629 20 5 FFBDRO [NH3+]C[C@H](CO)c1ccc(NC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC001254476108 1040742764 /nfs/dbraw/zinc/74/27/64/1040742764.db2.gz MFSXUJPIXRPUPA-MRXNPFEDSA-N 1 0 370.453 2.710 20 5 FFBDRO COC(=O)[C@@H]1C[C@@H](C)C[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254479890 1040744743 /nfs/dbraw/zinc/74/47/43/1040744743.db2.gz PFXNHPWZAAPREY-HUUCEWRRSA-N 1 0 361.442 2.695 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])n1cc(C[C@H]([NH3+])C(N)=O)c2ccccc21 ZINC001254537390 1040787010 /nfs/dbraw/zinc/78/70/10/1040787010.db2.gz DFEPEAAVIPFHPU-DYVFJYSZSA-N 1 0 366.421 2.708 20 5 FFBDRO COc1ccc(OC[C@H](O)C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC001254535937 1040787764 /nfs/dbraw/zinc/78/77/64/1040787764.db2.gz MNUYHAWEFARLKQ-GDBMZVCRSA-N 1 0 360.410 2.564 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])n1ccncc1=N[C@H]1CC[C@H]([NH3+])CC1 ZINC001254544819 1040790152 /nfs/dbraw/zinc/79/01/52/1040790152.db2.gz LBJNCJUVYPCAJP-XIRDDKMYSA-N 1 0 355.442 2.766 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCc1ccc(CC(=O)N(C)C)cc1 ZINC001254550834 1040792283 /nfs/dbraw/zinc/79/22/83/1040792283.db2.gz RVTARRICYYCKPF-INIZCTEOSA-N 1 0 369.465 2.989 20 5 FFBDRO Cc1noc(C[C@@H]2C[C@H]3C[N@@H+]([C@@H](C)Cc4ccccc4[N+](=O)[O-])C[C@H]3O2)n1 ZINC001254559479 1040798051 /nfs/dbraw/zinc/79/80/51/1040798051.db2.gz YCZIQSSZCPURCD-VYSRMENRSA-N 1 0 372.425 2.549 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CC[NH+](CCc2ccncc2)CC1 ZINC001254562143 1040798799 /nfs/dbraw/zinc/79/87/99/1040798799.db2.gz JXXRADFWCOODQA-KRWDZBQOSA-N 1 0 354.454 2.781 20 5 FFBDRO CC(C)(C)OC(=O)N1C[C@H]2[C@H](C[C@@H]2[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254575422 1040810525 /nfs/dbraw/zinc/81/05/25/1040810525.db2.gz QRIPQMVWIJAQKX-LMSBXDPUSA-N 1 0 373.453 2.907 20 5 FFBDRO COc1ccc2c(c1)NC(=O)C[C@H]2C[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254579601 1040812787 /nfs/dbraw/zinc/81/27/87/1040812787.db2.gz UGUKTNYAJOXLCY-GJZGRUSLSA-N 1 0 367.405 2.786 20 5 FFBDRO CCN(CC)C(=O)N1CCC([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254584666 1040816061 /nfs/dbraw/zinc/81/60/61/1040816061.db2.gz ITRVQSUCUPILLB-KRWDZBQOSA-N 1 0 360.458 2.578 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]C1(Cc3ccncc3)CCOCC1)C2 ZINC001254587676 1040818143 /nfs/dbraw/zinc/81/81/43/1040818143.db2.gz YWUBVVSMHZXTAA-GOSISDBHSA-N 1 0 353.422 2.839 20 5 FFBDRO COC(=O)C[C@H]([NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1cccc(OC)c1 ZINC001254587637 1040818873 /nfs/dbraw/zinc/81/88/73/1040818873.db2.gz RSZPMBZRCLDZAQ-APWZRJJASA-N 1 0 370.405 2.965 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]CC1(c3cccnc3)CCOCC1)C2 ZINC001254588315 1040820387 /nfs/dbraw/zinc/82/03/87/1040820387.db2.gz XWZCIIAFPVUMPC-SFHVURJKSA-N 1 0 353.422 2.795 20 5 FFBDRO COC[C@H]1COCCC12CC[NH+]([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)CC2 ZINC001254597610 1040827306 /nfs/dbraw/zinc/82/73/06/1040827306.db2.gz WMFLOSOMCOYMBG-PKOBYXMFSA-N 1 0 360.454 2.827 20 5 FFBDRO O=C(c1ccco1)N1C[C@H]2C[C@@H](C1)[N@H+]([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254597389 1040827374 /nfs/dbraw/zinc/82/73/74/1040827374.db2.gz DBOVDLIWQNRZGG-XWIAVFTESA-N 1 0 367.405 2.502 20 5 FFBDRO O=C([C@@H]1CCC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1)N1CCCCC1 ZINC001254601382 1040832268 /nfs/dbraw/zinc/83/22/68/1040832268.db2.gz ZATBEAMGWYOION-APWZRJJASA-N 1 0 357.454 2.787 20 5 FFBDRO Cc1cncnc1O[C@@H]1CCC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254612417 1040842053 /nfs/dbraw/zinc/84/20/53/1040842053.db2.gz WEDBVAWMABQSAQ-QZTJIDSGSA-N 1 0 354.410 2.704 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@H](O)c2ccc(C(F)(F)F)cc2)cc1 ZINC001262596064 1041744104 /nfs/dbraw/zinc/74/41/04/1041744104.db2.gz QSLRMMPXFCBLNJ-JKSUJKDBSA-N 1 0 370.327 2.970 20 5 FFBDRO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3c([N+](=O)[O-])cccc3C(F)(F)F)[C@H]2C1 ZINC001262826960 1041880621 /nfs/dbraw/zinc/88/06/21/1041880621.db2.gz UFBXPGHMMCGYMV-JBLDHEPKSA-N 1 0 357.332 2.684 20 5 FFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC001263253542 1042200747 /nfs/dbraw/zinc/20/07/47/1042200747.db2.gz QEZDJFUNSDHUFY-XLIONFOSSA-N 1 0 367.405 2.509 20 5 FFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(CC[NH2+]Cc2ccccc2Cl)CC1 ZINC001318885074 1044923903 /nfs/dbraw/zinc/92/39/03/1044923903.db2.gz GBMLHZONVAAAKO-NVXWUHKLSA-N 1 0 365.861 2.724 20 5 FFBDRO C[N@@H+]1CC[C@@H](NC(=O)NCc2ccccc2[N+](=O)[O-])[C@H]1c1ccc(F)cc1 ZINC001319572170 1045199166 /nfs/dbraw/zinc/19/91/66/1045199166.db2.gz LQPYDBACRGDYRR-SJLPKXTDSA-N 1 0 372.400 2.979 20 5 FFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](C(=O)NC2CC2)C1 ZINC001318293171 1045264447 /nfs/dbraw/zinc/26/44/47/1045264447.db2.gz DZXZZLVIXWYXJG-CQSZACIVSA-N 1 0 361.442 2.873 20 5 FFBDRO C[N@H+](CCC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)CC1CC(C)(C)C1 ZINC001319876062 1045290980 /nfs/dbraw/zinc/29/09/80/1045290980.db2.gz FTGPJUZQWKKHAP-IAGOWNOFSA-N 1 0 351.491 2.648 20 5 FFBDRO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC001319897995 1045297953 /nfs/dbraw/zinc/29/79/53/1045297953.db2.gz HFODROAMNCOXQC-HUUCEWRRSA-N 1 0 368.865 2.963 20 5 FFBDRO COC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC001324489320 1046060745 /nfs/dbraw/zinc/06/07/45/1046060745.db2.gz GUBUNDCRMIEGSP-WDEREUQCSA-N 1 0 374.340 2.636 20 5 FFBDRO O=C(NCc1ccc(Br)cc1[N+](=O)[O-])C1([NH2+]C2CC2)CCC1 ZINC001331420947 1047926277 /nfs/dbraw/zinc/92/62/77/1047926277.db2.gz YUVGONFZNPHTFR-UHFFFAOYSA-N 1 0 368.231 2.648 20 5 FFBDRO CC[N@@H+]1CCC[C@@H](CNc2cc(CN3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC001327616176 1047969847 /nfs/dbraw/zinc/96/98/47/1047969847.db2.gz LDXRVPZGHORAEE-KRWDZBQOSA-N 1 0 362.474 2.571 20 5 FFBDRO O=C(NC[C@@H]1C[NH2+]CCC1(F)F)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001331915450 1048170106 /nfs/dbraw/zinc/17/01/06/1048170106.db2.gz OVUILLFRQJNROI-ZDUSSCGKSA-N 1 0 368.384 2.514 20 5 FFBDRO O=C(CN1CCCC2(CC[NH2+]CC2)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC001332425230 1048391313 /nfs/dbraw/zinc/39/13/13/1048391313.db2.gz XCBNIKJCPARZQE-UHFFFAOYSA-N 1 0 366.849 2.652 20 5 FFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]Cc2cccc(OCC(F)(F)F)n2)c1 ZINC001329144118 1048595951 /nfs/dbraw/zinc/59/59/51/1048595951.db2.gz ZGFJZAJLRFFBEI-AWEZNQCLSA-N 1 0 371.315 2.754 20 5 FFBDRO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC001333311235 1048828457 /nfs/dbraw/zinc/82/84/57/1048828457.db2.gz GITLHQGWESPQCH-GDBMZVCRSA-N 1 0 351.834 2.924 20 5 FFBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)N3CC4CCC3CC4)c2)CC1 ZINC001333406344 1048885371 /nfs/dbraw/zinc/88/53/71/1048885371.db2.gz XMRAGHZOSSZBKE-UHFFFAOYSA-N 1 0 373.457 2.753 20 5 FFBDRO O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC001333792638 1049120723 /nfs/dbraw/zinc/12/07/23/1049120723.db2.gz XBGDOSWIIQXYST-HXUWFJFHSA-N 1 0 372.469 2.801 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@H]2CN(c3ncc(Br)cc3[N+](=O)[O-])C[C@@H]2C1 ZINC001333826313 1049133745 /nfs/dbraw/zinc/13/37/45/1049133745.db2.gz LZSLTNGTDBFBRD-GMXVVIOVSA-N 1 0 369.263 2.919 20 5 FFBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cnc(CC2CC[NH2+]CC2)s1 ZINC001339789908 1050210426 /nfs/dbraw/zinc/21/04/26/1050210426.db2.gz NSBMNAJURYKGFB-UHFFFAOYSA-N 1 0 374.466 2.866 20 5 FFBDRO O=C([C@@H]1CC[NH2+][C@@H]([C@@H]2CCCO2)C1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001341702600 1050323053 /nfs/dbraw/zinc/32/30/53/1050323053.db2.gz DUUIXGVJOJWPBV-LZQZEXGQSA-N 1 0 373.453 2.633 20 5 FFBDRO O=C([C@@H]1CC[NH2+][C@H]([C@H]2CCCO2)C1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001341702598 1050323521 /nfs/dbraw/zinc/32/35/21/1050323521.db2.gz DUUIXGVJOJWPBV-AYOQOUSVSA-N 1 0 373.453 2.633 20 5 FFBDRO O=C(Nc1ccc2c(c1)C[NH2+]CCO2)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001341785595 1050398218 /nfs/dbraw/zinc/39/82/18/1050398218.db2.gz CNLZEDUDOVKJGS-DLBZAZTESA-N 1 0 353.378 2.819 20 5 FFBDRO COc1cc(C[NH2+][C@H](C)CC(=O)OC(C)(C)C)c([N+](=O)[O-])cc1OC ZINC001341794673 1050407702 /nfs/dbraw/zinc/40/77/02/1050407702.db2.gz MNDPGXYPZBQPEE-LLVKDONJSA-N 1 0 354.403 2.822 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC001341813143 1050428139 /nfs/dbraw/zinc/42/81/39/1050428139.db2.gz UYARNPOCSIYLRA-UXEPBGEESA-N 1 0 367.833 2.664 20 5 FFBDRO Nc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccc(Nc2cc[nH+]cc2)cc1 ZINC001301599746 1050932569 /nfs/dbraw/zinc/93/25/69/1050932569.db2.gz YIOJFFXEGMFFOB-UHFFFAOYSA-N 1 0 363.377 2.668 20 5 FFBDRO O=C(Cc1cccc(F)c1[N+](=O)[O-])N1CC2(C1)C[NH+](Cc1ccccc1)C2 ZINC001302379726 1051101482 /nfs/dbraw/zinc/10/14/82/1051101482.db2.gz PPILMCQCAKNISB-UHFFFAOYSA-N 1 0 369.396 2.621 20 5 FFBDRO Cc1ccc(CNC(=O)c2cnc(CC3CC[NH2+]CC3)s2)cc1[N+](=O)[O-] ZINC001340789152 1051135175 /nfs/dbraw/zinc/13/51/75/1051135175.db2.gz VESRDOIZULFPST-UHFFFAOYSA-N 1 0 374.466 2.832 20 5 FFBDRO C[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H]1C)[NH+](C)C ZINC001303697106 1051427165 /nfs/dbraw/zinc/42/71/65/1051427165.db2.gz WDXRYJHSILMJCP-UONOGXRCSA-N 1 0 358.446 2.792 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)NCCc3ccccc3[N+](=O)[O-])C[C@H]2C1 ZINC001343139118 1051761355 /nfs/dbraw/zinc/76/13/55/1051761355.db2.gz JCCOQBYITVDPMV-GVDBMIGSSA-N 1 0 360.458 2.509 20 5 FFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C1CC2(C1)C[C@H]([NH3+])CCO2 ZINC001341492218 1051846062 /nfs/dbraw/zinc/84/60/62/1051846062.db2.gz CDZNHAHXAAMJCV-KOHRHEQBSA-N 1 0 361.442 2.618 20 5 FFBDRO COCCC[NH+]1CCC(NC(=O)Nc2cc(C)cc([N+](=O)[O-])c2)CC1 ZINC001344875760 1052091083 /nfs/dbraw/zinc/09/10/83/1052091083.db2.gz OPCXYWFKXYVATI-UHFFFAOYSA-N 1 0 350.419 2.526 20 5 FFBDRO C[NH+](C)CC[C@@H](Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)c1cccnc1 ZINC001307211799 1052268822 /nfs/dbraw/zinc/26/88/22/1052268822.db2.gz HZRQASIDXJMLLU-OAHLLOKOSA-N 1 0 369.425 2.979 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(C[N@H+](CCO)CC2CC2)o1 ZINC001307748809 1052344185 /nfs/dbraw/zinc/34/41/85/1052344185.db2.gz QJIFRFDTWQQOHB-UHFFFAOYSA-N 1 0 352.778 2.503 20 5 FFBDRO C[C@H]1CCC[C@@H](C[N@H+](C)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001307851206 1052357294 /nfs/dbraw/zinc/35/72/94/1052357294.db2.gz MKCMRTSWOQVGEZ-LSDHHAIUSA-N 1 0 369.487 2.631 20 5 FFBDRO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC001307986406 1052376774 /nfs/dbraw/zinc/37/67/74/1052376774.db2.gz GGPADQXMNNINOX-KGLIPLIRSA-N 1 0 365.430 2.961 20 5 FFBDRO COc1ccc(NC(=O)CC[NH2+]C(C)(C)[C@H]2CCCCO2)c([N+](=O)[O-])c1 ZINC001308016231 1052384397 /nfs/dbraw/zinc/38/43/97/1052384397.db2.gz MPDLEZMYEKIZLE-MRXNPFEDSA-N 1 0 365.430 2.869 20 5 FFBDRO C[C@@](CO)(Cc1ccc(F)cc1)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001308116851 1052410509 /nfs/dbraw/zinc/41/05/09/1052410509.db2.gz FIZKAFZGWJAFJP-SFHVURJKSA-N 1 0 358.373 2.694 20 5 FFBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1CN1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC001308140013 1052415616 /nfs/dbraw/zinc/41/56/16/1052415616.db2.gz IXTRLTFLSGXLDB-HUUCEWRRSA-N 1 0 374.268 2.933 20 5 FFBDRO COc1ccc(NC(=O)CC[N@@H+]2CCc3cc(O)ccc3C2)c([N+](=O)[O-])c1 ZINC001308171080 1052425115 /nfs/dbraw/zinc/42/51/15/1052425115.db2.gz PPFRCNOKVXVVQJ-UHFFFAOYSA-N 1 0 371.393 2.696 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C2CCC3(CCOCC3)CC2)c1 ZINC001345640312 1052552207 /nfs/dbraw/zinc/55/22/07/1052552207.db2.gz ZLCJTJYNDRKCNG-QGZVFWFLSA-N 1 0 364.442 2.664 20 5 FFBDRO CCN(CCC[NH+]1CCCC1)S(=O)(=O)c1cc(F)c(C)cc1[N+](=O)[O-] ZINC001309403678 1052612760 /nfs/dbraw/zinc/61/27/60/1052612760.db2.gz YABMQNYOYJWLHH-UHFFFAOYSA-N 1 0 373.450 2.539 20 5 FFBDRO O=C(O[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC001345925566 1052673514 /nfs/dbraw/zinc/67/35/14/1052673514.db2.gz UGOXXYGAUGYNAB-OLZOCXBDSA-N 1 0 362.382 2.540 20 5 FFBDRO C[NH+](C)CC[C@@H](NC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)c1cccnc1 ZINC001335266878 1053274800 /nfs/dbraw/zinc/27/48/00/1053274800.db2.gz HMFWJIZRNJYQIH-GOSISDBHSA-N 1 0 369.425 2.708 20 5 FFBDRO Cc1nnc(N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)n1C[C@@H](C)[NH+](C)C ZINC001543174686 1071403762 /nfs/dbraw/zinc/40/37/62/1071403762.db2.gz CQWRHQFGSATVBR-CYBMUJFWSA-N 1 0 358.446 2.614 20 5 FFBDRO C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001336200981 1053837346 /nfs/dbraw/zinc/83/73/46/1053837346.db2.gz JFCFXHOYNQKOCE-OAHLLOKOSA-N 1 0 354.410 2.871 20 5 FFBDRO C[C@H](NC(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC001336726838 1054171974 /nfs/dbraw/zinc/17/19/74/1054171974.db2.gz DCDISKDMOVJQGR-SUHUHFCYSA-N 1 0 374.363 2.825 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)CN(C[C@]1(O)CC[N@H+](Cc3ccccc3)C1)C2 ZINC001336769830 1054210312 /nfs/dbraw/zinc/21/03/12/1054210312.db2.gz DWQRLDUAHFDQJP-FQEVSTJZSA-N 1 0 353.422 2.547 20 5 FFBDRO Cc1cc(NC(=O)N2CCC[C@@H]([NH2+]C3CCOCC3)C2)cc([N+](=O)[O-])c1 ZINC001347888939 1054425490 /nfs/dbraw/zinc/42/54/90/1054425490.db2.gz DHHQTWXLXONBRN-OAHLLOKOSA-N 1 0 362.430 2.668 20 5 FFBDRO Cc1ccc([C@H](C)C(=O)Nc2cc(N3CC[NH+](C)CC3)ccc2[N+](=O)[O-])o1 ZINC001337704183 1054959023 /nfs/dbraw/zinc/95/90/23/1054959023.db2.gz OWUBIEATLXJTAU-AWEZNQCLSA-N 1 0 372.425 2.990 20 5 FFBDRO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cc(Cl)cc(Cl)c3[N+](=O)[O-])[C@@H]2C1 ZINC001337834524 1055047501 /nfs/dbraw/zinc/04/75/01/1055047501.db2.gz PPBQMVYJPSBEAS-KDDOJWQBSA-N 1 0 358.225 2.972 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)Cc3ccc([N+](=O)[O-])cc3Cl)C[C@H]2C1 ZINC001337907141 1055094334 /nfs/dbraw/zinc/09/43/34/1055094334.db2.gz KMMUTGQSVRCTQP-RRFJBIMHSA-N 1 0 365.861 2.979 20 5 FFBDRO Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]2C1 ZINC001356194682 1055372422 /nfs/dbraw/zinc/37/24/22/1055372422.db2.gz MWIHJAUBWRXMJI-OWCLPIDISA-N 1 0 370.457 2.557 20 5 FFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NC1CCN(c2cc[nH+]cc2)CC1 ZINC001349704638 1055424885 /nfs/dbraw/zinc/42/48/85/1055424885.db2.gz RHDVRSYXIADZJI-UHFFFAOYSA-N 1 0 370.409 2.787 20 5 FFBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)c3ccc(Cl)o3)c2)CC1 ZINC001338335888 1055427742 /nfs/dbraw/zinc/42/77/42/1055427742.db2.gz NIHYIDLBLXNJGN-UHFFFAOYSA-N 1 0 364.789 2.845 20 5 FFBDRO CCn1c([C@H](C)[N+](=O)[O-])nnc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001356350970 1055467910 /nfs/dbraw/zinc/46/79/10/1055467910.db2.gz GLXPKRRILVMRPY-HNNXBMFYSA-N 1 0 364.494 2.728 20 5 FFBDRO Cc1coc(C)c1C(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001349896029 1055527022 /nfs/dbraw/zinc/52/70/22/1055527022.db2.gz JCVIWGHHDUKFFS-UHFFFAOYSA-N 1 0 358.398 2.809 20 5 FFBDRO COc1cccc(NC(=[NH2+])NCCc2cc(OC)c(OC)cc2[N+](=O)[O-])c1 ZINC000849056767 1055608274 /nfs/dbraw/zinc/60/82/74/1055608274.db2.gz MJUNUSYBLCFHQW-UHFFFAOYSA-N 1 0 374.397 2.800 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CCc2nc3ccccc3s2)c1 ZINC001338737341 1055773020 /nfs/dbraw/zinc/77/30/20/1055773020.db2.gz JECGUVXLTRWKEX-AWEZNQCLSA-N 1 0 373.434 2.777 20 5 FFBDRO O=C([C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC001357618205 1055963954 /nfs/dbraw/zinc/96/39/54/1055963954.db2.gz CZVSUDWGUFILEV-GUDVDZBRSA-N 1 0 351.406 2.871 20 5 FFBDRO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC001357629270 1055968253 /nfs/dbraw/zinc/96/82/53/1055968253.db2.gz HLJIBCJSXWMLEQ-OKZBNKHCSA-N 1 0 357.454 2.935 20 5 FFBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@@H]3CCC[C@H](C(F)(F)F)O3)CC2)n1 ZINC001351413600 1056252386 /nfs/dbraw/zinc/25/23/86/1056252386.db2.gz HRTMDKJQSCVYFN-QWHCGFSZSA-N 1 0 362.352 2.928 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC001358495274 1056339570 /nfs/dbraw/zinc/33/95/70/1056339570.db2.gz XQFHLIIPJCOIAG-YLJYHZDGSA-N 1 0 367.405 2.889 20 5 FFBDRO C[C@H](CCNC(=O)c1[nH]nc([N+](=O)[O-])c1Cl)[N@H+](C)Cc1ccccc1 ZINC001545281173 1071757419 /nfs/dbraw/zinc/75/74/19/1071757419.db2.gz LAEUOANFDIZWGP-LLVKDONJSA-N 1 0 365.821 2.612 20 5 FFBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)OC1CC[NH+](CCOC)CC1 ZINC000847885123 1058331645 /nfs/dbraw/zinc/33/16/45/1058331645.db2.gz ZUACDCYIBSGCAH-INIZCTEOSA-N 1 0 364.442 2.818 20 5 FFBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001446876523 1058567219 /nfs/dbraw/zinc/56/72/19/1058567219.db2.gz ASZMQHQSRFOHSX-GJZGRUSLSA-N 1 0 351.834 2.924 20 5 FFBDRO C[C@@H](c1nnc(N(C)CC[NH+]2CCCCC2)n1Cc1ccccc1)[N+](=O)[O-] ZINC001354298003 1058826181 /nfs/dbraw/zinc/82/61/81/1058826181.db2.gz PVPJTMNDCDRBGV-INIZCTEOSA-N 1 0 372.473 2.586 20 5 FFBDRO O=C(N[C@@H]1CC2(CC[NH2+]CC2)Oc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC001354671225 1059346526 /nfs/dbraw/zinc/34/65/26/1059346526.db2.gz STGFPONRKLLCNK-QGZVFWFLSA-N 1 0 367.405 2.971 20 5 FFBDRO C[C@H](C(=O)OC[C@H]1CC[N@@H+]1C1CCOCC1)c1ccc([N+](=O)[O-])cc1F ZINC001520069485 1059374419 /nfs/dbraw/zinc/37/44/19/1059374419.db2.gz RAYRNTCJXCILSU-SWLSCSKDSA-N 1 0 366.389 2.634 20 5 FFBDRO Cc1cc(N2CC[C@@H]([NH2+]Cc3ccc(C(C)C)c([N+](=O)[O-])c3)C2=O)n(C)n1 ZINC001200831562 1059728308 /nfs/dbraw/zinc/72/83/08/1059728308.db2.gz XRZZBQKSUOPQKP-MRXNPFEDSA-N 1 0 371.441 2.655 20 5 FFBDRO CC[N@@H+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C2CC2)C[C@@H]1C ZINC001515904464 1059872449 /nfs/dbraw/zinc/87/24/49/1059872449.db2.gz IYSNAADYBAFZJJ-ZDUSSCGKSA-N 1 0 356.430 2.719 20 5 FFBDRO O=C(Nc1ccc2c[nH+]cn2c1)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1 ZINC001456445378 1060127916 /nfs/dbraw/zinc/12/79/16/1060127916.db2.gz XGABSOPXFOHSAT-UHFFFAOYSA-N 1 0 366.312 2.820 20 5 FFBDRO COc1cc[nH+]c(N2CCN(C(=O)c3c(C)ccc([N+](=O)[O-])c3C)CC2)c1 ZINC001521048228 1060337989 /nfs/dbraw/zinc/33/79/89/1060337989.db2.gz XJNABMBRZJNSBU-UHFFFAOYSA-N 1 0 370.409 2.578 20 5 FFBDRO Nc1nc(N[C@H]2CCCCC[N@H+](Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC001458536589 1060615723 /nfs/dbraw/zinc/61/57/23/1060615723.db2.gz PBBJGTOEDRAMDF-HNNXBMFYSA-N 1 0 356.430 2.824 20 5 FFBDRO CCOC(=O)C[C@](C)([NH2+]Cc1cc(C(=O)OC)ccc1[N+](=O)[O-])C(C)C ZINC001459993937 1060869233 /nfs/dbraw/zinc/86/92/33/1060869233.db2.gz HLOCWECQJOOQKW-SFHVURJKSA-N 1 0 366.414 2.839 20 5 FFBDRO CC(C)(C)OC(=O)N1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C(C)(C)CC1 ZINC001460652644 1061048999 /nfs/dbraw/zinc/04/89/99/1061048999.db2.gz VENOACZFSKZKQA-UHFFFAOYSA-N 1 0 367.450 2.513 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(OS(=O)(=O)CCC[NH+]2CCCC2)cc1Cl ZINC001475645723 1061181283 /nfs/dbraw/zinc/18/12/83/1061181283.db2.gz BCAQSVMHXRJUTI-UHFFFAOYSA-N 1 0 366.798 2.582 20 5 FFBDRO CCOC(=O)COc1ccc(CC[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1 ZINC001461257116 1061268170 /nfs/dbraw/zinc/26/81/70/1061268170.db2.gz XNDNPBSMXSIQNW-UHFFFAOYSA-N 1 0 358.394 2.869 20 5 FFBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+][C@@H]2C[C@@H]3CC[C@H]2O3)c1 ZINC001461835454 1061421312 /nfs/dbraw/zinc/42/13/12/1061421312.db2.gz IZTMWJXJFJKATO-YNEHKIRRSA-N 1 0 374.178 2.609 20 5 FFBDRO Nc1c(NC(=O)N2CCC([NH2+]C3CCC3)CC2)cc(Cl)cc1[N+](=O)[O-] ZINC001476916226 1061510074 /nfs/dbraw/zinc/51/00/74/1061510074.db2.gz KTRGVBHVXYKQJS-UHFFFAOYSA-N 1 0 367.837 2.969 20 5 FFBDRO CC(C)Cc1nnc(N(C)Cc2ccccc2[N+](=O)[O-])n1C[C@H](C)[NH+](C)C ZINC001359781385 1061763809 /nfs/dbraw/zinc/76/38/09/1061763809.db2.gz GJGVQYMBWIXGBE-HNNXBMFYSA-N 1 0 374.489 2.971 20 5 FFBDRO C[C@H](N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccccc1[N+](=O)[O-] ZINC000774596803 1062076552 /nfs/dbraw/zinc/07/65/52/1062076552.db2.gz LNUYQQDDYIUSCK-LRDDRELGSA-N 1 0 370.365 2.959 20 5 FFBDRO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CCc3ccc([N+](=O)[O-])cc3Cl)[C@@H]2C1 ZINC001522551167 1062208507 /nfs/dbraw/zinc/20/85/07/1062208507.db2.gz PHWQDWQERHOZRK-BJJXKVORSA-N 1 0 351.834 2.637 20 5 FFBDRO CC[NH+]1CCC(NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])CC1 ZINC001463783779 1062257889 /nfs/dbraw/zinc/25/78/89/1062257889.db2.gz QNUFRHZNHLWBKM-UHFFFAOYSA-N 1 0 354.410 2.871 20 5 FFBDRO CCC[N@H+](C)CC(C)(C)NS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC001464147772 1062449393 /nfs/dbraw/zinc/44/93/93/1062449393.db2.gz PFFCRKJYMHUVTG-UHFFFAOYSA-N 1 0 357.476 2.610 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC[C@H]1[C@@H](C)C[NH+](C)C ZINC001464170404 1062461388 /nfs/dbraw/zinc/46/13/88/1062461388.db2.gz ZCTZTNROWBSCCZ-HOCLYGCPSA-N 1 0 369.487 2.644 20 5 FFBDRO [NH3+]C1CC2(C1)CC(NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC001523960572 1062671704 /nfs/dbraw/zinc/67/17/04/1062671704.db2.gz GVRXUQAFHQDHHT-UHFFFAOYSA-N 1 0 355.847 2.726 20 5 FFBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1C[C@H]2C[N@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001439109913 1063093680 /nfs/dbraw/zinc/09/36/80/1063093680.db2.gz HCGFRKRJFSLQFC-UZLBHIALSA-N 1 0 368.437 2.527 20 5 FFBDRO CC[C@@H](CNC(=O)c1cc([N+](=O)[O-])cc(C)n1)[N@@H+]1CCc2ccccc2C1 ZINC001441242269 1063414472 /nfs/dbraw/zinc/41/44/72/1063414472.db2.gz PWKDELZYQYSKFY-KRWDZBQOSA-N 1 0 368.437 2.865 20 5 FFBDRO CC[C@H](C)[N@H+](C)CCn1c(C)nnc1N(C)CCc1cccc([N+](=O)[O-])c1 ZINC001496114235 1063585337 /nfs/dbraw/zinc/58/53/37/1063585337.db2.gz AICOUIAREKEDSP-HNNXBMFYSA-N 1 0 374.489 2.904 20 5 FFBDRO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Nc3ccc([N+](=O)[O-])c4ccncc34)[C@H]2C1 ZINC001467070990 1063629440 /nfs/dbraw/zinc/62/94/40/1063629440.db2.gz ZURZCCPDJRVEFR-HZUKXOBISA-N 1 0 355.398 2.605 20 5 FFBDRO CCOc1cc(C(=O)Nc2ccc3c[nH+]cn3c2)c([N+](=O)[O-])cc1OC ZINC001472133433 1064947083 /nfs/dbraw/zinc/94/70/83/1064947083.db2.gz BDMTTXKIBUGHNW-UHFFFAOYSA-N 1 0 356.338 2.902 20 5 FFBDRO C[N@H+](CCNc1c2ccc(Br)cc2ncc1[N+](=O)[O-])C1CC1 ZINC001472670627 1065124416 /nfs/dbraw/zinc/12/44/16/1065124416.db2.gz IGAUFHLDNMOYOR-UHFFFAOYSA-N 1 0 365.231 2.834 20 5 FFBDRO CCOC(=O)c1cc([N+](=O)[O-])c(N2C[C@]3(C)C[NH+](C)C[C@@]3(C)C2)cc1C ZINC001472846809 1065156441 /nfs/dbraw/zinc/15/64/41/1065156441.db2.gz GWXOLVLBMFBQKK-OALUTQOASA-N 1 0 361.442 2.858 20 5 FFBDRO CCO[C@@H](CNc1c2cccc(Cl)c2ncc1[N+](=O)[O-])C[NH+](C)C ZINC001472873473 1065164798 /nfs/dbraw/zinc/16/47/98/1065164798.db2.gz BDRMVNWZMNASKM-NSHDSACASA-N 1 0 352.822 2.597 20 5 FFBDRO CC(=O)NC1CCC([N@H+](C)Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC001473372972 1065250807 /nfs/dbraw/zinc/25/08/07/1065250807.db2.gz LIDMQMPYJZTOSB-UHFFFAOYSA-N 1 0 373.413 2.524 20 5 FFBDRO C[C@]([NH3+])(C(=O)N[C@H]1CCOc2ccc(F)cc21)c1cccc([N+](=O)[O-])c1 ZINC001576080731 1078194019 /nfs/dbraw/zinc/19/40/19/1078194019.db2.gz HDRVHMJJIYWHJY-MAUKXSAKSA-N 1 0 359.357 2.548 20 5 FFBDRO CC1=CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCC[NH2+]2)C1 ZINC001576555735 1078243373 /nfs/dbraw/zinc/24/33/73/1078243373.db2.gz JGZUGQKWVXKZPT-INIZCTEOSA-N 1 0 368.441 2.762 20 5 FFBDRO CC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCC[NH2+]2)CC1 ZINC001576735874 1078268457 /nfs/dbraw/zinc/26/84/57/1078268457.db2.gz GLVDYCIDMROSFZ-MRXNPFEDSA-N 1 0 370.457 2.842 20 5 FFBDRO C[C@@H]1[NH2+]CCN(C(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)[C@H]1C ZINC001576893246 1078284590 /nfs/dbraw/zinc/28/45/90/1078284590.db2.gz FEPLVHKWIHDOPK-BQBZGAKWSA-N 1 0 350.177 2.863 20 5 FFBDRO CCOc1ccc(C(=O)N2c3ccccc3CC[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC001578171409 1078446609 /nfs/dbraw/zinc/44/66/09/1078446609.db2.gz FMGNBUJMBATYCJ-HNNXBMFYSA-N 1 0 355.394 2.914 20 5 FFBDRO [NH3+][C@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC[C@H]1C(F)(F)F ZINC001580206495 1078765058 /nfs/dbraw/zinc/76/50/58/1078765058.db2.gz CHYHORZYTIKWSJ-MNOVXSKESA-N 1 0 357.288 2.693 20 5 FFBDRO [NH3+]CC1(c2ccccc2)CCN(C(=O)c2cc([N+](=O)[O-])ccc2F)CC1 ZINC001580247857 1078774326 /nfs/dbraw/zinc/77/43/26/1078774326.db2.gz RTGDNRKEJLRTGZ-UHFFFAOYSA-N 1 0 357.385 2.867 20 5 FFBDRO [NH3+]Cc1ccc(CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)c(F)c1 ZINC001580337763 1078787908 /nfs/dbraw/zinc/78/79/08/1078787908.db2.gz QHKUGOFJOOZHQR-UHFFFAOYSA-N 1 0 354.341 2.671 20 5 FFBDRO O=C(N[C@H]1CC12CC[NH2+]CC2)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001580604454 1078833290 /nfs/dbraw/zinc/83/32/90/1078833290.db2.gz YLESOYVQKYUDLB-HNNXBMFYSA-N 1 0 352.394 2.529 20 5 FFBDRO O=C(N[C@]12CCC[C@H]1C[NH2+]C2)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001580756904 1078854441 /nfs/dbraw/zinc/85/44/41/1078854441.db2.gz RXDLBIRSULMDNR-LIRRHRJNSA-N 1 0 352.394 2.529 20 5 FFBDRO O=C(Nc1ccc([C@H]2C[NH2+]CCO2)cc1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001580765883 1078855908 /nfs/dbraw/zinc/85/59/08/1078855908.db2.gz YYVQMEYUSAAHGX-IPMKNSEASA-N 1 0 367.405 2.998 20 5 FFBDRO COc1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C)cc3)C2)ccc1[N+](=O)[O-] ZINC001558018202 1075929147 /nfs/dbraw/zinc/92/91/47/1075929147.db2.gz ATPFKTLZMOSSJH-KRWDZBQOSA-N 1 0 369.421 2.916 20 5 FFBDRO C[C@@H](Nc1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC001559109482 1076126031 /nfs/dbraw/zinc/12/60/31/1076126031.db2.gz USHPRFDKOQURLJ-LLVKDONJSA-N 1 0 361.402 2.861 20 5 FFBDRO Cc1n[nH]cc1CN(C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC001560053793 1076218473 /nfs/dbraw/zinc/21/84/73/1076218473.db2.gz JYDYOKPSTAJCQQ-SNVBAGLBSA-N 1 0 351.794 2.739 20 5 FFBDRO C[C@@](CO)([NH2+]CCC(=O)Nc1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC001560066070 1076220771 /nfs/dbraw/zinc/22/07/71/1076220771.db2.gz HKKFFZBPHOSHPZ-SFHVURJKSA-N 1 0 361.373 2.560 20 5 FFBDRO COc1ccccc1C[C@](C)(CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1OC ZINC001560102522 1076226985 /nfs/dbraw/zinc/22/69/85/1076226985.db2.gz QIBQLFXINZVTHC-LJQANCHMSA-N 1 0 360.410 2.695 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H]1CCN(c2ccccc2C(N)=O)C1 ZINC001560325305 1076263866 /nfs/dbraw/zinc/26/38/66/1076263866.db2.gz CBSINPNYZDCTNZ-OAHLLOKOSA-N 1 0 368.437 2.679 20 5 FFBDRO CC[NH+](CC)CC[C@H](CO)NCc1c(Br)cccc1[N+](=O)[O-] ZINC001560520783 1076277345 /nfs/dbraw/zinc/27/73/45/1076277345.db2.gz GQLMOZLORTVHNJ-GFCCVEGCSA-N 1 0 374.279 2.540 20 5 FFBDRO C[C@@H](C[NH2+]Cc1cccc(NS(C)(=O)=O)c1)c1ccccc1[N+](=O)[O-] ZINC001560603817 1076283148 /nfs/dbraw/zinc/28/31/48/1076283148.db2.gz GKQPIJRYOKZQAC-ZDUSSCGKSA-N 1 0 363.439 2.860 20 5 FFBDRO CCc1noc([C@@H]2CC[C@H]([NH2+]Cc3cc(OC)c(O)cc3[N+](=O)[O-])C2)n1 ZINC001560608769 1076283307 /nfs/dbraw/zinc/28/33/07/1076283307.db2.gz DNQXMPIUTZNVIM-PWSUYJOCSA-N 1 0 362.386 2.680 20 5 FFBDRO Cc1cccc(CN2CCO[C@@H](C[NH2+]CCc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC001560972679 1076315480 /nfs/dbraw/zinc/31/54/80/1076315480.db2.gz UXQKWOISOMMNST-NRFANRHFSA-N 1 0 369.465 2.936 20 5 FFBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001561350439 1076366554 /nfs/dbraw/zinc/36/65/54/1076366554.db2.gz KNHKNPNTDANAFQ-MGPQQGTHSA-N 1 0 369.487 2.548 20 5 FFBDRO O=C(NCC1([NH2+]Cc2ccccc2Cl)CCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001568235541 1077079554 /nfs/dbraw/zinc/07/95/54/1077079554.db2.gz QKNPUEKBNFQKET-UKRRQHHQSA-N 1 0 351.834 2.524 20 5 FFBDRO CC1([NH2+]CCC2CCCCCC2)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001570373024 1077202233 /nfs/dbraw/zinc/20/22/33/1077202233.db2.gz HFTPLGPXZJRRMD-IAGOWNOFSA-N 1 0 351.491 2.983 20 5 FFBDRO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CC2(C1)C[NH+](Cc1ccccc1)C2 ZINC001587223563 1079757233 /nfs/dbraw/zinc/75/72/33/1079757233.db2.gz QEGULOAZMDQYJZ-UHFFFAOYSA-N 1 0 369.396 2.621 20 5 FFBDRO Cc1ccc(COC(=O)c2ccnc(OCC[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC001588043150 1079915798 /nfs/dbraw/zinc/91/57/98/1079915798.db2.gz WHJBRCLRRBZIPW-UHFFFAOYSA-N 1 0 359.382 2.596 20 5 FFBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1ccc([N+](=O)[O-])c(-c2nn[nH]n2)c1 ZINC001590187260 1081077681 /nfs/dbraw/zinc/07/76/81/1081077681.db2.gz IHVISSFLQRRTMA-UPJWGTAASA-N 1 0 359.434 2.553 20 5 FFBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC001590226602 1081106844 /nfs/dbraw/zinc/10/68/44/1081106844.db2.gz DMHWNHPAEUULGD-VNHYZAJKSA-N 1 0 371.445 2.617 20 5 FFBDRO C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C1(C(N)=O)CCCC1 ZINC000093211629 250024567 /nfs/dbraw/zinc/02/45/67/250024567.db2.gz OLOCMHLVIVWDTO-UHFFFAOYSA-N 1 0 358.398 2.522 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)NCC(C)(C)C[NH+](C)C)cc1SC ZINC000103185669 250139400 /nfs/dbraw/zinc/13/94/00/250139400.db2.gz OQNJSOINNFYDQB-UHFFFAOYSA-N 1 0 355.460 2.643 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106891575 250297431 /nfs/dbraw/zinc/29/74/31/250297431.db2.gz DABJBDNIDGFLBM-LBPRGKRZSA-N 1 0 373.862 2.543 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]([C@H](O)c2nccn2C)C1 ZINC000131949664 251032188 /nfs/dbraw/zinc/03/21/88/251032188.db2.gz SJOKRMKIXGNPJR-KSSFIOAISA-N 1 0 374.441 2.673 20 5 FFBDRO C[NH+](C)CCCOc1cccc(NC(=O)c2c(N)cccc2[N+](=O)[O-])c1 ZINC000181069304 251238605 /nfs/dbraw/zinc/23/86/05/251238605.db2.gz VKLGJOANUUHYPJ-UHFFFAOYSA-N 1 0 358.398 2.760 20 5 FFBDRO CCc1n[nH]c(C(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000192571676 251290291 /nfs/dbraw/zinc/29/02/91/251290291.db2.gz CMEBEWVNHQQVEP-UHFFFAOYSA-N 1 0 371.441 2.617 20 5 FFBDRO C[NH+](C)CCN(Cc1ccco1)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000268072663 251366550 /nfs/dbraw/zinc/36/65/50/251366550.db2.gz ZZXTZDGWCNYKAB-UHFFFAOYSA-N 1 0 356.382 2.873 20 5 FFBDRO CC[NH+](CC)[C@@H](C)CNC(=O)c1cc([N+](=O)[O-])ccc1SCCOC ZINC000271039274 251692272 /nfs/dbraw/zinc/69/22/72/251692272.db2.gz QFIXAZZPPWXVRM-ZDUSSCGKSA-N 1 0 369.487 2.793 20 5 FFBDRO C[C@@H]1C[C@H](N(C)C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000272465976 252045686 /nfs/dbraw/zinc/04/56/86/252045686.db2.gz HPGXGZIUZJQBKJ-IUODEOHRSA-N 1 0 368.865 2.915 20 5 FFBDRO CCC[N@@H+]1CC[C@@H](CN[C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000272493740 252051746 /nfs/dbraw/zinc/05/17/46/252051746.db2.gz FINBPQBHNFXJQE-YJBOKZPZSA-N 1 0 357.458 2.739 20 5 FFBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3Br)[C@H]2C1 ZINC000272697277 252106870 /nfs/dbraw/zinc/10/68/70/252106870.db2.gz YATUKULQLRCZTN-YGRLFVJLSA-N 1 0 368.231 2.524 20 5 FFBDRO COc1ccc([C@H](C)[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000273145675 252230492 /nfs/dbraw/zinc/23/04/92/252230492.db2.gz KXWAZTIPTJZPLK-ZDUSSCGKSA-N 1 0 364.423 2.728 20 5 FFBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1cnn(C)c1 ZINC000273257085 252265959 /nfs/dbraw/zinc/26/59/59/252265959.db2.gz CWUWXJADJKRSKJ-ZJUUUORDSA-N 1 0 351.794 2.660 20 5 FFBDRO COc1cc(C[N@H+](CCO)C2CCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000275907104 256058189 /nfs/dbraw/zinc/05/81/89/256058189.db2.gz WFPFXWJPZMZAHJ-UHFFFAOYSA-N 1 0 360.357 2.594 20 5 FFBDRO C[NH+](C)[C@H]1CCCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000277177966 256168919 /nfs/dbraw/zinc/16/89/19/256168919.db2.gz LBCPEPYHCRXJDI-ZDUSSCGKSA-N 1 0 354.838 2.603 20 5 FFBDRO C[NH+](C)C(C)(C)CNc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl ZINC000277214619 256173203 /nfs/dbraw/zinc/17/32/03/256173203.db2.gz ZLPWDYBXKWCQQC-UHFFFAOYSA-N 1 0 365.821 2.546 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000277926348 256256364 /nfs/dbraw/zinc/25/63/64/256256364.db2.gz HKNHCKMZDMCNQI-UHFFFAOYSA-N 1 0 361.442 2.620 20 5 FFBDRO CCOC(=O)c1n[nH]c(C2CC[NH+]([C@@H](C)c3ccccc3[N+](=O)[O-])CC2)n1 ZINC000277940150 256258510 /nfs/dbraw/zinc/25/85/10/256258510.db2.gz ZJLULGZPTWCJFX-LBPRGKRZSA-N 1 0 373.413 2.830 20 5 FFBDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000278322109 256299386 /nfs/dbraw/zinc/29/93/86/256299386.db2.gz AIDRXABLIJKQFZ-LBPRGKRZSA-N 1 0 367.833 2.574 20 5 FFBDRO CC[NH+](CC)[C@@H](CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N)c1ccco1 ZINC000279135289 256385470 /nfs/dbraw/zinc/38/54/70/256385470.db2.gz CLINYKVRYNZOBH-HNNXBMFYSA-N 1 0 364.377 2.722 20 5 FFBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000279156469 256387792 /nfs/dbraw/zinc/38/77/92/256387792.db2.gz FTRVZSABSGBNMS-UHFFFAOYSA-N 1 0 372.400 2.711 20 5 FFBDRO COCc1nc2n(n1)C[C@@H]([NH2+][C@H]1CC(C)(C)c3ccc([N+](=O)[O-])cc31)CC2 ZINC000279171551 256389268 /nfs/dbraw/zinc/38/92/68/256389268.db2.gz UUQWUQQZTGTZEZ-LRDDRELGSA-N 1 0 371.441 2.660 20 5 FFBDRO Cc1ccc(NC(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000278807131 256350364 /nfs/dbraw/zinc/35/03/64/256350364.db2.gz RYJAZQTZEUGOPI-AWEZNQCLSA-N 1 0 362.430 2.620 20 5 FFBDRO C[C@H](CCNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[NH+]1CCCCC1 ZINC000279018753 256372883 /nfs/dbraw/zinc/37/28/83/256372883.db2.gz IZHDEWWIYCHTPT-CYBMUJFWSA-N 1 0 374.445 2.535 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC2CC[NH+](CC(C)C)CC2)c1 ZINC000281408097 256632362 /nfs/dbraw/zinc/63/23/62/256632362.db2.gz ZASXGIGQGNLJQC-UHFFFAOYSA-N 1 0 363.458 2.909 20 5 FFBDRO CC(C)[NH+]1CCC(N2CCN(Cc3ccc([N+](=O)[O-])c(F)c3)CC2)CC1 ZINC000283112331 256840119 /nfs/dbraw/zinc/84/01/19/256840119.db2.gz MNDFMTKMYDKHRL-UHFFFAOYSA-N 1 0 364.465 2.724 20 5 FFBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@H](CCO)c2ccc(Cl)c(Cl)c2)c1 ZINC000285558907 256992502 /nfs/dbraw/zinc/99/25/02/256992502.db2.gz MXNOFIKWIVIXLR-CQSZACIVSA-N 1 0 359.213 2.811 20 5 FFBDRO COc1cc(C(=O)N(C)CCC[N@H+](C)Cc2ccco2)ccc1[N+](=O)[O-] ZINC000285876398 257009015 /nfs/dbraw/zinc/00/90/15/257009015.db2.gz QYSRBBISUSKTCZ-UHFFFAOYSA-N 1 0 361.398 2.791 20 5 FFBDRO CCOC[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C(C)C ZINC000286185619 257024767 /nfs/dbraw/zinc/02/47/67/257024767.db2.gz PLKMDKNSBGOVIF-OAHLLOKOSA-N 1 0 353.419 2.583 20 5 FFBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1ncc([N+](=O)[O-])cc1Br ZINC000286229008 257026795 /nfs/dbraw/zinc/02/67/95/257026795.db2.gz DNOWZTQWWLXXJV-ZYHUDNBSSA-N 1 0 355.236 2.815 20 5 FFBDRO CC(C)NC(=O)c1ccc(N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000286447014 257037737 /nfs/dbraw/zinc/03/77/37/257037737.db2.gz SZXMXZFOOUIZGG-ZBFHGGJFSA-N 1 0 360.458 2.796 20 5 FFBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000286955451 257063931 /nfs/dbraw/zinc/06/39/31/257063931.db2.gz FRFBUMFURAMNDU-FZKQIMNGSA-N 1 0 356.426 2.704 20 5 FFBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000287029086 257067819 /nfs/dbraw/zinc/06/78/19/257067819.db2.gz SFUJGLLBHZIENR-CJNGLKHVSA-N 1 0 357.414 2.703 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)c1 ZINC000287037613 257068483 /nfs/dbraw/zinc/06/84/83/257068483.db2.gz ISQUOLMQKSSYEW-HOTGVXAUSA-N 1 0 361.442 2.757 20 5 FFBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1c1ccc([N+](=O)[O-])cc1N1CCOC1=O ZINC000286387700 257034338 /nfs/dbraw/zinc/03/43/38/257034338.db2.gz OSKUTYZGRPSBOK-ZFWWWQNUSA-N 1 0 360.414 2.614 20 5 FFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](C(=O)N2CCCC2)C1 ZINC000287623134 257099315 /nfs/dbraw/zinc/09/93/15/257099315.db2.gz ZXADYMZIWGLOPK-HNNXBMFYSA-N 1 0 361.442 2.826 20 5 FFBDRO C[NH+](C)CCCOc1cnccc1CNc1ncc([N+](=O)[O-])cc1Cl ZINC000288284589 257169777 /nfs/dbraw/zinc/16/97/77/257169777.db2.gz RKQWDXTWEGNJRF-UHFFFAOYSA-N 1 0 365.821 2.981 20 5 FFBDRO O=[N+]([O-])c1ccccc1NCCc1noc(C2CC[NH+](C3CC3)CC2)n1 ZINC000289070913 257253895 /nfs/dbraw/zinc/25/38/95/257253895.db2.gz GXPWGOFNHLUHQK-UHFFFAOYSA-N 1 0 357.414 2.974 20 5 FFBDRO C[C@@H]([NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)c1cn[nH]c1 ZINC000289635512 257291148 /nfs/dbraw/zinc/29/11/48/257291148.db2.gz WEWAROSWSDSBCL-MRVPVSSYSA-N 1 0 372.166 2.773 20 5 FFBDRO CC(C)(C(=O)Nc1ccc2c(c1)C[NH2+]CCO2)c1ccc([N+](=O)[O-])cc1 ZINC000291072879 257379042 /nfs/dbraw/zinc/37/90/42/257379042.db2.gz NCGZHOBYKPMOJV-UHFFFAOYSA-N 1 0 355.394 2.993 20 5 FFBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000291067859 257379193 /nfs/dbraw/zinc/37/91/93/257379193.db2.gz MFFUORZUUUWFKJ-UHFFFAOYSA-N 1 0 370.409 2.908 20 5 FFBDRO O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000293350200 257543049 /nfs/dbraw/zinc/54/30/49/257543049.db2.gz JXXUHGVKPOIDPL-JSGCOSHPSA-N 1 0 358.423 2.542 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N3CC[C@H]4[NH2+]CC[C@@H]4C3)cc2[N+](=O)[O-])CC1 ZINC000293592989 257553346 /nfs/dbraw/zinc/55/33/46/257553346.db2.gz ZGMXHJBRPIFWJN-IAGOWNOFSA-N 1 0 372.469 2.655 20 5 FFBDRO CC[NH+](CC)[C@H]1CCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C1 ZINC000294844564 257605188 /nfs/dbraw/zinc/60/51/88/257605188.db2.gz FDIZFDVOQVNQFU-HNNXBMFYSA-N 1 0 357.414 2.541 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000298698222 257933990 /nfs/dbraw/zinc/93/39/90/257933990.db2.gz ZSKUUYKHUGMLKW-HZPDHXFCSA-N 1 0 363.414 2.575 20 5 FFBDRO O=c1[nH]cnc2cc(NCC[N@@H+]3CCc4ccccc4C3)c([N+](=O)[O-])cc21 ZINC000301059606 258022368 /nfs/dbraw/zinc/02/23/68/258022368.db2.gz DDQMVPZOADXGOI-UHFFFAOYSA-N 1 0 365.393 2.714 20 5 FFBDRO Cc1c(CO)cc([N+](=O)[O-])c(NCC[N@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000301075350 258023162 /nfs/dbraw/zinc/02/31/62/258023162.db2.gz GDEXBDKDABDXTP-NSHDSACASA-N 1 0 352.391 2.590 20 5 FFBDRO NC(=O)c1cc([N+](=O)[O-])cnc1NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000301121336 258026795 /nfs/dbraw/zinc/02/67/95/258026795.db2.gz WUTCWOYMYFXZFH-HNNXBMFYSA-N 1 0 369.425 2.555 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])c(N2CC[NH+](CC3CC3)CC2)cc1Cl ZINC000301359690 258045142 /nfs/dbraw/zinc/04/51/42/258045142.db2.gz PRWZADZZDIEIBT-UHFFFAOYSA-N 1 0 353.806 2.567 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCN(c3cc[nH+]cc3)CC2)c(OC(F)F)c1 ZINC000302152318 258091740 /nfs/dbraw/zinc/09/17/40/258091740.db2.gz KYHOJEMBROCRIB-UHFFFAOYSA-N 1 0 350.325 2.918 20 5 FFBDRO O=[N+]([O-])c1cnc(Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)nc1 ZINC000302180833 258093495 /nfs/dbraw/zinc/09/34/95/258093495.db2.gz ZKUAGEYFBSLROM-UHFFFAOYSA-N 1 0 354.414 2.660 20 5 FFBDRO CCOc1cccc(N2CCN(c3cc(OC)cc[nH+]3)CC2)c1[N+](=O)[O-] ZINC000302212730 258095894 /nfs/dbraw/zinc/09/58/94/258095894.db2.gz HHYKERKWZSYZKI-UHFFFAOYSA-N 1 0 358.398 2.724 20 5 FFBDRO C[N@H+]1C[C@H]2CN(c3ccc(C(=O)c4ccccc4)cc3[N+](=O)[O-])C[C@H]2C1 ZINC000302861024 258112805 /nfs/dbraw/zinc/11/28/05/258112805.db2.gz PHZINMPTCGOYFZ-CALCHBBNSA-N 1 0 351.406 2.824 20 5 FFBDRO Cc1nn(C)c(N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)c1[N+](=O)[O-] ZINC000312058467 258115669 /nfs/dbraw/zinc/11/56/69/258115669.db2.gz GSQSCKPGJXWNCR-IRXDYDNUSA-N 1 0 355.442 2.595 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000301594781 258057755 /nfs/dbraw/zinc/05/77/55/258057755.db2.gz RQVRKYPHLUYFMR-GHMZBOCLSA-N 1 0 366.374 2.574 20 5 FFBDRO C[NH+](C)[C@@H](CNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2)c1cccs1 ZINC000301614359 258059074 /nfs/dbraw/zinc/05/90/74/258059074.db2.gz UMCBSDAUNQJAHR-ZDUSSCGKSA-N 1 0 362.411 2.702 20 5 FFBDRO CNC(=O)c1ccc(NCc2ccc(C[NH+](C)C)c(F)c2)c([N+](=O)[O-])c1 ZINC000301888604 258073151 /nfs/dbraw/zinc/07/31/51/258073151.db2.gz PWTJXRNYESUWKO-UHFFFAOYSA-N 1 0 360.389 2.767 20 5 FFBDRO CC(C)(C)Oc1cc(N2CC[C@H](C[NH+]3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000301904051 258073779 /nfs/dbraw/zinc/07/37/79/258073779.db2.gz PIYDDKPHPWHADV-OAHLLOKOSA-N 1 0 363.458 2.931 20 5 FFBDRO C[C@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)[N@@H+]1CCc2sccc2C1 ZINC000301914045 258074785 /nfs/dbraw/zinc/07/47/85/258074785.db2.gz HYBMZSHEUKHPHW-LLVKDONJSA-N 1 0 358.427 2.558 20 5 FFBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)CC[NH+]1CCCC1 ZINC000330479768 258164858 /nfs/dbraw/zinc/16/48/58/258164858.db2.gz MTAABSHIPFVEEE-UHFFFAOYSA-N 1 0 370.247 2.834 20 5 FFBDRO CC(C)[C@@H]1CN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000331119958 258177607 /nfs/dbraw/zinc/17/76/07/258177607.db2.gz FXCVEMBEAGVJDX-AWEZNQCLSA-N 1 0 370.247 2.770 20 5 FFBDRO C[C@H]1CCCN(c2ccc(C(=O)N3CCC[C@@H]3C[NH+](C)C)cc2[N+](=O)[O-])C1 ZINC000332408089 258229446 /nfs/dbraw/zinc/22/94/46/258229446.db2.gz DFMYYZPXSPUGOF-DOTOQJQBSA-N 1 0 374.485 2.997 20 5 FFBDRO C[C@H]1C[C@@H](NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[N@@H+]1C ZINC000332656356 258239457 /nfs/dbraw/zinc/23/94/57/258239457.db2.gz JQUOXJYLIIKZTB-AAEUAGOBSA-N 1 0 360.439 2.931 20 5 FFBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000177566191 510136168 /nfs/dbraw/zinc/13/61/68/510136168.db2.gz OBABGUCZOVWJEZ-MNOVXSKESA-N 1 0 370.247 2.960 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)c1C ZINC000032441111 506253732 /nfs/dbraw/zinc/25/37/32/506253732.db2.gz WIKCTBIRGHGPAG-KBPBESRZSA-N 1 0 369.487 2.753 20 5 FFBDRO Cc1noc([C@H]2CCC[N@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)n1 ZINC000052862429 506268399 /nfs/dbraw/zinc/26/83/99/506268399.db2.gz KXIHUJZNKMGKKU-AWEZNQCLSA-N 1 0 373.413 2.803 20 5 FFBDRO O=[N+]([O-])c1ccc(OCCN2CC[NH+](CCc3cccs3)CC2)cc1 ZINC000065536403 506318090 /nfs/dbraw/zinc/31/80/90/506318090.db2.gz ICKQBIZAOMYTAZ-UHFFFAOYSA-N 1 0 361.467 2.895 20 5 FFBDRO CC(=O)Nc1cccc2c1CC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000065535855 506318546 /nfs/dbraw/zinc/31/85/46/506318546.db2.gz ALVGQXDJZXTTAF-UHFFFAOYSA-N 1 0 355.394 2.990 20 5 FFBDRO CN(C(=O)c1ccc(Br)c([N+](=O)[O-])c1)[C@H]1CCC[N@H+](C)C1 ZINC000053245455 506340550 /nfs/dbraw/zinc/34/05/50/506340550.db2.gz YABRTVCBZSCUJG-NSHDSACASA-N 1 0 356.220 2.524 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2nc(C[NH2+]C3(CO)Cc4ccccc4C3)co2)cc1 ZINC000371173244 512254502 /nfs/dbraw/zinc/25/45/02/512254502.db2.gz MXSQTRYENSZNQY-UHFFFAOYSA-N 1 0 365.389 2.869 20 5 FFBDRO O=C1Nc2ccccc2[C@@]12CC[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000375311671 512262225 /nfs/dbraw/zinc/26/22/25/512262225.db2.gz XSFCIVVFESZROD-IBGZPJMESA-N 1 0 353.378 2.569 20 5 FFBDRO CNC(=O)c1ccc(N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000053550757 506402433 /nfs/dbraw/zinc/40/24/33/506402433.db2.gz RSVIBEFCSXLUEG-MRXNPFEDSA-N 1 0 354.410 2.641 20 5 FFBDRO C[C@@H](CNC(=O)NCCNc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC[C@H]1C ZINC000041488274 506525952 /nfs/dbraw/zinc/52/59/52/506525952.db2.gz GENIVHUUFMKSFQ-CABCVRRESA-N 1 0 363.462 2.569 20 5 FFBDRO C[NH+]1CCN(Cc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC000041576927 506533221 /nfs/dbraw/zinc/53/32/21/506533221.db2.gz MNVZEXMPVDPXAW-UHFFFAOYSA-N 1 0 354.410 2.595 20 5 FFBDRO CCOCCCNC(=O)C1CC[NH+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000041622936 506536646 /nfs/dbraw/zinc/53/66/46/506536646.db2.gz HCKBUZGCRQGCIM-OAHLLOKOSA-N 1 0 363.458 2.911 20 5 FFBDRO C[C@@H]1C[NH2+]CCN1c1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000054375246 506546735 /nfs/dbraw/zinc/54/67/35/506546735.db2.gz PRVGTXAWQSIIJO-SECBINFHSA-N 1 0 351.204 2.704 20 5 FFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000008122304 506623557 /nfs/dbraw/zinc/62/35/57/506623557.db2.gz PZJROTUFIPNRPC-AWEZNQCLSA-N 1 0 372.450 2.819 20 5 FFBDRO COc1cccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)[NH+](C)C)c1 ZINC000010018086 506722427 /nfs/dbraw/zinc/72/24/27/506722427.db2.gz NYBIDMXNJMOFPE-SFHVURJKSA-N 1 0 357.410 2.945 20 5 FFBDRO CC(C)[NH+](CCNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)C(C)C ZINC000067140041 506769314 /nfs/dbraw/zinc/76/93/14/506769314.db2.gz FQAVKCBIGFVUBA-UHFFFAOYSA-N 1 0 359.430 2.629 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C)[N@@H+]2CCc3ccccc3C2)c1 ZINC000067547281 506920070 /nfs/dbraw/zinc/92/00/70/506920070.db2.gz FNXVGMWESHSAIL-AWEZNQCLSA-N 1 0 369.421 2.780 20 5 FFBDRO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)NC(=O)NCc1ccccc1 ZINC000056196656 506959643 /nfs/dbraw/zinc/95/96/43/506959643.db2.gz BVRDQGONCLVFIC-ZIAGYGMSSA-N 1 0 370.409 2.660 20 5 FFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000045755546 507012131 /nfs/dbraw/zinc/01/21/31/507012131.db2.gz LIGIHHYUZLDIFI-UHFFFAOYSA-N 1 0 355.398 2.776 20 5 FFBDRO C[NH+](C)[C@@H](CNC(=O)NCc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000056459071 507018393 /nfs/dbraw/zinc/01/83/93/507018393.db2.gz DGOWGXPUCVOMHZ-KRWDZBQOSA-N 1 0 360.389 2.836 20 5 FFBDRO COc1ccc(CC(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000068111155 507116047 /nfs/dbraw/zinc/11/60/47/507116047.db2.gz XZNSYXPEUAOVLI-AUUYWEPGSA-N 1 0 363.458 2.773 20 5 FFBDRO C[C@H](CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)C[NH+]1CCCCC1 ZINC000068217838 507152486 /nfs/dbraw/zinc/15/24/86/507152486.db2.gz CUUMKCFMZBHIPD-OAHLLOKOSA-N 1 0 358.442 2.788 20 5 FFBDRO CCC[NH+]1CCC(N(C)C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000057255113 507219394 /nfs/dbraw/zinc/21/93/94/507219394.db2.gz LJJPVDCEDXYNIE-UHFFFAOYSA-N 1 0 371.441 2.727 20 5 FFBDRO COc1cccc([C@@H](CNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)[NH+](C)C)c1 ZINC000057288610 507229702 /nfs/dbraw/zinc/22/97/02/507229702.db2.gz SCQVBLIYRCSHAT-QGZVFWFLSA-N 1 0 373.409 2.645 20 5 FFBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000068468539 507242434 /nfs/dbraw/zinc/24/24/34/507242434.db2.gz MFXYURDFVWYFON-QGZVFWFLSA-N 1 0 356.426 2.636 20 5 FFBDRO CC(C)[N@@H+]1CCCN(C(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000068776208 507319286 /nfs/dbraw/zinc/31/92/86/507319286.db2.gz SYBJZSARKRQJRM-UHFFFAOYSA-N 1 0 371.441 2.552 20 5 FFBDRO Cn1cc(C[N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000371328813 512333746 /nfs/dbraw/zinc/33/37/46/512333746.db2.gz ZGRFKVMFUPHXBK-HZPDHXFCSA-N 1 0 356.426 2.854 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000058560553 507437172 /nfs/dbraw/zinc/43/71/72/507437172.db2.gz YPNACQFRNJBSAS-UHFFFAOYSA-N 1 0 369.487 2.836 20 5 FFBDRO C[NH+](C)Cc1cccc(CNC(=O)NCCNc2ccc([N+](=O)[O-])cc2)c1 ZINC000028399776 507723106 /nfs/dbraw/zinc/72/31/06/507723106.db2.gz UQOFVKJCBJACFA-UHFFFAOYSA-N 1 0 371.441 2.568 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCC[N@@H+](C)Cc2ccccc2)c1 ZINC000063697782 507760597 /nfs/dbraw/zinc/76/05/97/507760597.db2.gz QCNORZBGPADBSR-UHFFFAOYSA-N 1 0 371.437 2.920 20 5 FFBDRO Cc1nn(C)c(NCCc2ccc(OCC[NH+]3CCCC3)cc2)c1[N+](=O)[O-] ZINC000089266304 507825531 /nfs/dbraw/zinc/82/55/31/507825531.db2.gz YFHSNKMYXYMTBT-UHFFFAOYSA-N 1 0 373.457 2.766 20 5 FFBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000089307124 507828249 /nfs/dbraw/zinc/82/82/49/507828249.db2.gz HWNQONKBUFVCRY-LJQANCHMSA-N 1 0 353.422 2.918 20 5 FFBDRO COc1ccc(C[NH+]2CCC(CN3CCCCC3=O)CC2)cc1[N+](=O)[O-] ZINC000072663857 507839351 /nfs/dbraw/zinc/83/93/51/507839351.db2.gz GQLGNJCDJKJZNM-UHFFFAOYSA-N 1 0 361.442 2.828 20 5 FFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CCc3ccc4c(c3)CCO4)C2)nc1 ZINC000072665289 507840488 /nfs/dbraw/zinc/84/04/88/507840488.db2.gz NKDZEGWFHSGXHX-MRXNPFEDSA-N 1 0 354.410 2.654 20 5 FFBDRO C[NH+](C)[C@H](CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)c1cccs1 ZINC000078923441 507916811 /nfs/dbraw/zinc/91/68/11/507916811.db2.gz YHAFNWTXLIHQDW-CYBMUJFWSA-N 1 0 359.411 2.565 20 5 FFBDRO Cc1ccc([C@H](CNC(=O)COc2cccc([N+](=O)[O-])c2)[NH+](C)C)cc1 ZINC000109289890 507953060 /nfs/dbraw/zinc/95/30/60/507953060.db2.gz DQTVCWSEPFBVDM-SFHVURJKSA-N 1 0 357.410 2.701 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCN(CC(F)F)CC1 ZINC000091084216 507953097 /nfs/dbraw/zinc/95/30/97/507953097.db2.gz XRCGGVHBAXDIQE-UHFFFAOYSA-N 1 0 370.400 2.505 20 5 FFBDRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000074326959 508012901 /nfs/dbraw/zinc/01/29/01/508012901.db2.gz GKFTWYLRNGWFQU-QGZVFWFLSA-N 1 0 374.485 2.977 20 5 FFBDRO C[NH+](C)CCCOc1cccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)c1 ZINC000110490928 508030502 /nfs/dbraw/zinc/03/05/02/508030502.db2.gz DJIZXVLEGUSSMN-UHFFFAOYSA-N 1 0 373.409 2.943 20 5 FFBDRO Cc1cc(C)cc(C2=CC[N@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)c1 ZINC000092427360 508070332 /nfs/dbraw/zinc/07/03/32/508070332.db2.gz QLEIYLLKAQLDDC-LJQANCHMSA-N 1 0 356.426 2.558 20 5 FFBDRO C[N@@H+]1CCC[C@@H](N2CCN(c3ccc([N+](=O)[O-])c(C(F)(F)F)c3)CC2)C1 ZINC000080641000 508091239 /nfs/dbraw/zinc/09/12/39/508091239.db2.gz AMPFPOQBDYQXMC-CQSZACIVSA-N 1 0 372.391 2.830 20 5 FFBDRO Cc1ccc(S(=O)(=O)NCCCCC[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000111357585 508093250 /nfs/dbraw/zinc/09/32/50/508093250.db2.gz RWKZCZUCWLRDOC-UHFFFAOYSA-N 1 0 369.487 2.838 20 5 FFBDRO C[C@@H](c1cccnc1)[N@H+](C)CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000093226768 508129414 /nfs/dbraw/zinc/12/94/14/508129414.db2.gz XSPPZFCKFPRJLT-ZDUSSCGKSA-N 1 0 356.382 2.981 20 5 FFBDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000081128605 508141293 /nfs/dbraw/zinc/14/12/93/508141293.db2.gz AHDARXLHQWNPLE-KRWDZBQOSA-N 1 0 369.421 2.707 20 5 FFBDRO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCN1C(=O)c2ccccc2C1=O ZINC000093837773 508157154 /nfs/dbraw/zinc/15/71/54/508157154.db2.gz ASFVNRFSKGLDTH-SOFGYWHQSA-N 1 0 365.389 2.836 20 5 FFBDRO COc1cc(C(=O)N(CC[NH+](C)C)C2CCCC2)c([N+](=O)[O-])cc1OC ZINC000081551897 508188175 /nfs/dbraw/zinc/18/81/75/508188175.db2.gz UOIWDFZJNKYVCB-UHFFFAOYSA-N 1 0 365.430 2.558 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C2(c3nccs3)CCCC2)c1 ZINC000081595233 508194903 /nfs/dbraw/zinc/19/49/03/508194903.db2.gz FVJNBBORHABYBP-AWEZNQCLSA-N 1 0 363.439 2.850 20 5 FFBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000081631509 508199525 /nfs/dbraw/zinc/19/95/25/508199525.db2.gz HRUBWGCKETZPAX-GDBMZVCRSA-N 1 0 360.458 2.586 20 5 FFBDRO CC(C)(C)C(=O)NC[C@@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000112699746 508210427 /nfs/dbraw/zinc/21/04/27/508210427.db2.gz ZMTREGAVZRIVTI-HNNXBMFYSA-N 1 0 363.458 2.848 20 5 FFBDRO Cc1nn(Cc2ccc(C(=O)NCC[N@@H+](C)C(C)C)cc2)c(C)c1[N+](=O)[O-] ZINC000101955091 508261819 /nfs/dbraw/zinc/26/18/19/508261819.db2.gz FFRIGPGDRUMPFB-UHFFFAOYSA-N 1 0 373.457 2.526 20 5 FFBDRO C[NH+](C)C[C@H]1CCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000113452787 508268561 /nfs/dbraw/zinc/26/85/61/508268561.db2.gz DNOPUDUPJDQKQZ-GFCCVEGCSA-N 1 0 360.439 2.742 20 5 FFBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[NH+](CC2CC2)CC1 ZINC000077196085 508285537 /nfs/dbraw/zinc/28/55/37/508285537.db2.gz AJTBEOAPPKAUDA-CYBMUJFWSA-N 1 0 357.414 2.733 20 5 FFBDRO Cc1cc(C(=O)N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)cc([N+](=O)[O-])c1 ZINC000133511873 508409608 /nfs/dbraw/zinc/40/96/08/508409608.db2.gz IAPVLKXYSKZCCN-IAGOWNOFSA-N 1 0 374.485 2.534 20 5 FFBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000115640205 508420357 /nfs/dbraw/zinc/42/03/57/508420357.db2.gz OQWYIBLHSJJRCO-PBHICJAKSA-N 1 0 364.446 2.853 20 5 FFBDRO C[C@@H]([NH2+]C[C@H](O)COc1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000133758923 508444407 /nfs/dbraw/zinc/44/44/07/508444407.db2.gz YMHHWPDDPOHYLM-RISCZKNCSA-N 1 0 352.337 2.964 20 5 FFBDRO C[C@@H]([NH2+]CCN1C(=O)CNC1=O)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000134085016 508490509 /nfs/dbraw/zinc/49/05/09/508490509.db2.gz OICKHYUTPHTZFP-LLVKDONJSA-N 1 0 374.422 2.526 20 5 FFBDRO CCCC[N@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000122257830 508507802 /nfs/dbraw/zinc/50/78/02/508507802.db2.gz WFEWKTHNUWUGRV-UHFFFAOYSA-N 1 0 358.236 2.819 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N(CC[NH+](C)C)Cc1cccc(O)c1 ZINC000157298415 508549038 /nfs/dbraw/zinc/54/90/38/508549038.db2.gz AWAZORSMVXGCJM-UHFFFAOYSA-N 1 0 357.410 2.813 20 5 FFBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116718077 508550315 /nfs/dbraw/zinc/55/03/15/508550315.db2.gz SQCOIQMAZGQZAK-ZDUSSCGKSA-N 1 0 355.822 2.618 20 5 FFBDRO C[C@H](CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)C[NH+]1CCCCC1 ZINC000122535541 508550778 /nfs/dbraw/zinc/55/07/78/508550778.db2.gz AIOJWPFMMMCUEF-OAHLLOKOSA-N 1 0 360.458 2.785 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157317219 508551338 /nfs/dbraw/zinc/55/13/38/508551338.db2.gz QRVVZZFHMIYWOK-INIZCTEOSA-N 1 0 360.458 2.792 20 5 FFBDRO CCOCCCNC(=O)C1CC[NH+](Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000153186547 508556764 /nfs/dbraw/zinc/55/67/64/508556764.db2.gz RIOZMHRVFDYQHZ-UHFFFAOYSA-N 1 0 363.458 2.658 20 5 FFBDRO C[C@@H]1CN(C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@@H](C)[NH2+]1 ZINC000153656601 508618021 /nfs/dbraw/zinc/61/80/21/508618021.db2.gz LOFJVHBYJDLARZ-GHMZBOCLSA-N 1 0 374.363 2.624 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@@H]1CCCc2c1cnn2C ZINC000135651905 508636970 /nfs/dbraw/zinc/63/69/70/508636970.db2.gz LVWCPBBCODDADC-QGZVFWFLSA-N 1 0 371.441 2.975 20 5 FFBDRO COC(=O)[C@H](C)C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C1CC1 ZINC000153761402 508643846 /nfs/dbraw/zinc/64/38/46/508643846.db2.gz CMQABHQBRSROBL-CYBMUJFWSA-N 1 0 363.414 2.505 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCS[C@H](C)[C@H]1C ZINC000118415716 508650344 /nfs/dbraw/zinc/65/03/44/508650344.db2.gz DAXZMQJOJIKWGS-VXGBXAGGSA-N 1 0 353.444 2.758 20 5 FFBDRO CC(C)CO[C@@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000128902782 508657434 /nfs/dbraw/zinc/65/74/34/508657434.db2.gz AZRXBZWYKMQIJU-CQSZACIVSA-N 1 0 353.394 2.809 20 5 FFBDRO Cc1c(CC(=O)NCc2ccc(F)c(C[NH+](C)C)c2)cccc1[N+](=O)[O-] ZINC000123317886 508668534 /nfs/dbraw/zinc/66/85/34/508668534.db2.gz WXOORWSMADMYOU-UHFFFAOYSA-N 1 0 359.401 2.963 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@H]([NH+]2CCCC2)C1 ZINC000118828641 508679673 /nfs/dbraw/zinc/67/96/73/508679673.db2.gz DFIOPZJUGQHLLS-KRWDZBQOSA-N 1 0 360.458 2.792 20 5 FFBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000118841525 508683408 /nfs/dbraw/zinc/68/34/08/508683408.db2.gz PVZGBFMRTKXPRU-UONOGXRCSA-N 1 0 359.430 2.979 20 5 FFBDRO C[N@H+](Cc1ccccc1)CC(C)(C)NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000118984037 508700945 /nfs/dbraw/zinc/70/09/45/508700945.db2.gz JTPMBMGBIIHEQD-UHFFFAOYSA-N 1 0 370.453 2.694 20 5 FFBDRO COc1ccc(-c2ccc(C[NH+]3CCC(C(N)=O)CC3)o2)c([N+](=O)[O-])c1 ZINC000158611223 508728005 /nfs/dbraw/zinc/72/80/05/508728005.db2.gz UGTLQGOLPXLQCV-UHFFFAOYSA-N 1 0 359.382 2.561 20 5 FFBDRO C[C@@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1n1ccnc1 ZINC000129676644 508753394 /nfs/dbraw/zinc/75/33/94/508753394.db2.gz STPCRHRMIOFILM-PBHICJAKSA-N 1 0 357.414 2.703 20 5 FFBDRO C[C@@H](CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH+]1CCC(C)CC1 ZINC000119241011 508755705 /nfs/dbraw/zinc/75/57/05/508755705.db2.gz JVEMRHATFDTIKF-AWEZNQCLSA-N 1 0 358.442 2.855 20 5 FFBDRO C[C@H]1C[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C[N@@H+]1Cc1ccccc1 ZINC000137431755 508756187 /nfs/dbraw/zinc/75/61/87/508756187.db2.gz YVMAOMFZVKPBQA-SWLSCSKDSA-N 1 0 372.400 2.709 20 5 FFBDRO C[N@@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)C1 ZINC000137564573 508760118 /nfs/dbraw/zinc/76/01/18/508760118.db2.gz QLSHYUZFZHMNIZ-INIZCTEOSA-N 1 0 368.437 2.888 20 5 FFBDRO Cc1ccc([C@@H](C)[NH2+]C[C@]2(N3CCOCC3)CCSC2)cc1[N+](=O)[O-] ZINC000154427002 508782675 /nfs/dbraw/zinc/78/26/75/508782675.db2.gz UHLAXAPFDZRKSC-CRAIPNDOSA-N 1 0 365.499 2.762 20 5 FFBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000119403554 508789665 /nfs/dbraw/zinc/78/96/65/508789665.db2.gz UAXQOBSNXIIFFA-MRXNPFEDSA-N 1 0 360.458 2.701 20 5 FFBDRO C[N@@H+]1CCC[C@@H]2CN(CC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CC[C@@H]21 ZINC000139916096 508797090 /nfs/dbraw/zinc/79/70/90/508797090.db2.gz XBOHXWFQSDKPJU-WBMJQRKESA-N 1 0 366.849 2.603 20 5 FFBDRO CC[N@@H+]1CCC[C@H](NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)C1 ZINC000119479632 508804265 /nfs/dbraw/zinc/80/42/65/508804265.db2.gz VYZQURLNMYVNKO-LBPRGKRZSA-N 1 0 370.247 2.880 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N3CCCC[C@@H]3C[NH3+])cc2[N+](=O)[O-])C1 ZINC000130875540 508858970 /nfs/dbraw/zinc/85/89/70/508858970.db2.gz CFGWSGPZGCHUFA-GDBMZVCRSA-N 1 0 360.458 2.785 20 5 FFBDRO CCOc1ccc([C@H]2CCC[N@@H+]2CCn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000159702383 508877370 /nfs/dbraw/zinc/87/73/70/508877370.db2.gz QXVGRGKPMWFGAS-GOSISDBHSA-N 1 0 357.410 2.992 20 5 FFBDRO CCCS(=O)(=O)N1CCC([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000154917466 508882856 /nfs/dbraw/zinc/88/28/56/508882856.db2.gz WZBOPVNXVUMRPK-CQSZACIVSA-N 1 0 369.487 2.758 20 5 FFBDRO CCc1nc(C)c([C@@H](C)[N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)s1 ZINC000159848395 508899984 /nfs/dbraw/zinc/89/99/84/508899984.db2.gz GNPGRUXZOCKSKR-GFCCVEGCSA-N 1 0 350.444 2.777 20 5 FFBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000367285857 512425162 /nfs/dbraw/zinc/42/51/62/512425162.db2.gz GSZQGFZKHWYAFO-BYICEURKSA-N 1 0 372.469 2.545 20 5 FFBDRO C[C@H]1CCC[N@H+](CCNC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000159902395 508909233 /nfs/dbraw/zinc/90/92/33/508909233.db2.gz ODKSCWUKCGEVHN-NSHDSACASA-N 1 0 370.247 2.819 20 5 FFBDRO Cc1c(CC(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000159936459 508914051 /nfs/dbraw/zinc/91/40/51/508914051.db2.gz CMQWXNPFZGORRN-SFHVURJKSA-N 1 0 355.438 2.735 20 5 FFBDRO CCC[NH+]1CCC(CNS(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])CC1 ZINC000120114474 508931373 /nfs/dbraw/zinc/93/13/73/508931373.db2.gz DTKULHPULKQEPL-UHFFFAOYSA-N 1 0 369.487 2.612 20 5 FFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000120119333 508932896 /nfs/dbraw/zinc/93/28/96/508932896.db2.gz XAMSTMIWLQBZBL-BEFAXECRSA-N 1 0 353.422 2.774 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000160172112 508949105 /nfs/dbraw/zinc/94/91/05/508949105.db2.gz WRMXNXXEHGLGIN-OAHLLOKOSA-N 1 0 367.471 2.542 20 5 FFBDRO COc1ccc([C@H]2CC[N@H+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000155239045 508955867 /nfs/dbraw/zinc/95/58/67/508955867.db2.gz UFZISRMOIQPULF-WMZOPIPTSA-N 1 0 372.421 2.833 20 5 FFBDRO CNS(=O)(=O)c1cccc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000132004329 508988842 /nfs/dbraw/zinc/98/88/42/508988842.db2.gz JIGKSFCWGRSONI-ZDUSSCGKSA-N 1 0 363.439 2.662 20 5 FFBDRO Cc1nc2ccccn2c1C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000160491377 508994017 /nfs/dbraw/zinc/99/40/17/508994017.db2.gz AXKFGELEDJTTDS-CQSZACIVSA-N 1 0 352.398 2.632 20 5 FFBDRO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1ccc(F)cc1[N+](=O)[O-] ZINC000120474640 509004061 /nfs/dbraw/zinc/00/40/61/509004061.db2.gz YFWYCUVAAHLJTM-UHFFFAOYSA-N 1 0 357.385 2.912 20 5 FFBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000120880383 509081545 /nfs/dbraw/zinc/08/15/45/509081545.db2.gz DKTZESCLBANQOU-SFHVURJKSA-N 1 0 360.458 2.797 20 5 FFBDRO Cc1c([C@H](C)[NH2+]C[C@@H](O)CN2CCc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000151788244 509083526 /nfs/dbraw/zinc/08/35/26/509083526.db2.gz COTLWQBJUWKGRR-QFBILLFUSA-N 1 0 369.465 2.973 20 5 FFBDRO CN(C(=O)c1ccc([N+](=O)[O-])o1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000126731795 509119760 /nfs/dbraw/zinc/11/97/60/509119760.db2.gz HBLKMQDYRYUZRB-UHFFFAOYSA-N 1 0 359.382 2.939 20 5 FFBDRO O=C1CCc2cc([N+](=O)[O-])c(N3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)cc2N1 ZINC000161899035 509163137 /nfs/dbraw/zinc/16/31/37/509163137.db2.gz QPWWKOWRRFKPAL-RHSMWYFYSA-N 1 0 370.453 2.933 20 5 FFBDRO Cc1cccc([C@H]2CCC[N@@H+]2C[C@@H](O)COc2cccc([N+](=O)[O-])c2)n1 ZINC000247922319 509191839 /nfs/dbraw/zinc/19/18/39/509191839.db2.gz BHKXMOHPAVYXME-VQIMIIECSA-N 1 0 357.410 2.875 20 5 FFBDRO COc1ccc(C[NH2+][C@H]2CCN(Cc3ccc(C)cc3)C2=O)cc1[N+](=O)[O-] ZINC000191811629 509193763 /nfs/dbraw/zinc/19/37/63/509193763.db2.gz FEXBAFDZVZXCHC-KRWDZBQOSA-N 1 0 369.421 2.803 20 5 FFBDRO O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CC[NH+]2CCC1CC2 ZINC000188655504 509196053 /nfs/dbraw/zinc/19/60/53/509196053.db2.gz DNWQTWHETHQWRB-UHFFFAOYSA-N 1 0 358.423 2.639 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000247977755 509208044 /nfs/dbraw/zinc/20/80/44/509208044.db2.gz GSUYHCFTRNZADW-SJLPKXTDSA-N 1 0 355.394 2.779 20 5 FFBDRO C[NH+](C)[C@H](CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000191884262 509230112 /nfs/dbraw/zinc/23/01/12/509230112.db2.gz VPSDGUQNJLEVCN-QGZVFWFLSA-N 1 0 369.487 2.525 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@]3(O)CCOC3)o2)c(Cl)c1 ZINC000179028932 509231184 /nfs/dbraw/zinc/23/11/84/509231184.db2.gz KYISGHRLIQBLDA-MRXNPFEDSA-N 1 0 352.774 2.749 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)[C@H]1COc2ccccc21 ZINC000185579504 509246853 /nfs/dbraw/zinc/24/68/53/509246853.db2.gz ULTLXFZQAGNKGO-SWLSCSKDSA-N 1 0 371.393 2.696 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](C)[C@H]1COc2ccccc21 ZINC000185593777 509256035 /nfs/dbraw/zinc/25/60/35/509256035.db2.gz YCHYXPACWNUKPD-XJKSGUPXSA-N 1 0 355.394 2.996 20 5 FFBDRO C[C@@H](C(=O)Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)[NH+]1CCCCCC1 ZINC000175993636 509263020 /nfs/dbraw/zinc/26/30/20/509263020.db2.gz LNDGEPXVXFHQKR-LBPRGKRZSA-N 1 0 358.402 2.583 20 5 FFBDRO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1ccc(Br)cc1[N+](=O)[O-])C2 ZINC000176053361 509298445 /nfs/dbraw/zinc/29/84/45/509298445.db2.gz IPGHZMZOVKDYFP-NWDGAFQWSA-N 1 0 368.231 2.666 20 5 FFBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000192021909 509301446 /nfs/dbraw/zinc/30/14/46/509301446.db2.gz WSHBVFHPSTZQQF-NVXWUHKLSA-N 1 0 363.801 2.530 20 5 FFBDRO C[C@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185697416 509310274 /nfs/dbraw/zinc/31/02/74/509310274.db2.gz ZUKWNLUWLYRZKR-GJZGRUSLSA-N 1 0 360.458 2.776 20 5 FFBDRO CCS[C@@H]1CCCC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248450150 509325804 /nfs/dbraw/zinc/32/58/04/509325804.db2.gz ILYHZCRRLAXEQV-HUUCEWRRSA-N 1 0 354.472 2.942 20 5 FFBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)n1 ZINC000192079580 509336187 /nfs/dbraw/zinc/33/61/87/509336187.db2.gz KXRHUMHYCWCOSD-HIFRSBDPSA-N 1 0 354.769 2.704 20 5 FFBDRO CCOC(=O)C[C@H](C)[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000182663134 509357968 /nfs/dbraw/zinc/35/79/68/509357968.db2.gz MMMVEAXQFIAACK-ZDUSSCGKSA-N 1 0 351.403 2.505 20 5 FFBDRO C[NH+](C)CCOc1ccc(CCNC(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000264184199 509369125 /nfs/dbraw/zinc/36/91/25/509369125.db2.gz FLDWTDMUHZOPBO-UHFFFAOYSA-N 1 0 357.410 2.508 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1SC ZINC000264221700 509392115 /nfs/dbraw/zinc/39/21/15/509392115.db2.gz WBQCHZBPDASGRZ-OLZOCXBDSA-N 1 0 365.455 2.682 20 5 FFBDRO CN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]CC1 ZINC000226455783 509398406 /nfs/dbraw/zinc/39/84/06/509398406.db2.gz DDDJCYBTSFRMOB-GFCCVEGCSA-N 1 0 356.220 2.571 20 5 FFBDRO C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1(c2ccccc2)CCCC1 ZINC000185949348 509442745 /nfs/dbraw/zinc/44/27/45/509442745.db2.gz WPJWQKCQZRDOFC-YJBOKZPZSA-N 1 0 358.442 2.642 20 5 FFBDRO CCOC(=O)c1ccnc(N[C@H](C)C[NH+]2CCCCCC2)c1[N+](=O)[O-] ZINC000185963723 509451758 /nfs/dbraw/zinc/45/17/58/509451758.db2.gz NGSFUVNOUYLQOD-CYBMUJFWSA-N 1 0 350.419 2.843 20 5 FFBDRO C[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1N)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182841629 509454956 /nfs/dbraw/zinc/45/49/56/509454956.db2.gz VNFJQGBDRFUPQC-NEPJUHHUSA-N 1 0 364.421 2.699 20 5 FFBDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000236616818 509465277 /nfs/dbraw/zinc/46/52/77/509465277.db2.gz KTQVBHHWNJULAO-GFCCVEGCSA-N 1 0 358.236 2.803 20 5 FFBDRO CC(C)([NH3+])CNC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000236639461 509469328 /nfs/dbraw/zinc/46/93/28/509469328.db2.gz HRTDWTFAMHZMEO-UHFFFAOYSA-N 1 0 372.212 2.554 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N[C@H]3CCC[C@H]3C[NH3+])cc2[N+](=O)[O-])CC1 ZINC000236671689 509475987 /nfs/dbraw/zinc/47/59/87/509475987.db2.gz ZFWXOSJLTGVELO-HOTGVXAUSA-N 1 0 360.458 2.688 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000192354068 509477434 /nfs/dbraw/zinc/47/74/34/509477434.db2.gz NQNZZLRUMOOXJV-HNNXBMFYSA-N 1 0 371.393 2.915 20 5 FFBDRO C[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000186075000 509511260 /nfs/dbraw/zinc/51/12/60/509511260.db2.gz GDURXNYYXWUVHB-UONOGXRCSA-N 1 0 367.471 2.526 20 5 FFBDRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000173347779 509545519 /nfs/dbraw/zinc/54/55/19/509545519.db2.gz HSDQAUBINBJYDO-CHWSQXEVSA-N 1 0 363.439 2.915 20 5 FFBDRO [NH3+][C@H]1CCCCCC[C@H]1C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000165538142 509574288 /nfs/dbraw/zinc/57/42/88/509574288.db2.gz POSDZTULTKQWIZ-MSOLQXFVSA-N 1 0 360.458 2.541 20 5 FFBDRO CS(=O)(=O)CCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000237300973 509615526 /nfs/dbraw/zinc/61/55/26/509615526.db2.gz NOCGLYXUHRVLBJ-UHFFFAOYSA-N 1 0 354.453 2.848 20 5 FFBDRO Cc1c(NC(=O)[C@H](C)N2CC[C@H]([NH+]3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000264668564 509634882 /nfs/dbraw/zinc/63/48/82/509634882.db2.gz ZYKWQPOCLHPJMC-HOTGVXAUSA-N 1 0 360.458 2.790 20 5 FFBDRO CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000186317621 509643409 /nfs/dbraw/zinc/64/34/09/509643409.db2.gz GSOOLZTUMNWFBF-MPGHIAIKSA-N 1 0 352.431 2.518 20 5 FFBDRO COC(=O)C[C@@H]1CCC[N@@H+]1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000179887407 509660766 /nfs/dbraw/zinc/66/07/66/509660766.db2.gz URLHYLKECNVCJA-INIZCTEOSA-N 1 0 358.398 2.523 20 5 FFBDRO COc1cccc(F)c1[C@H](C)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000179915590 509672167 /nfs/dbraw/zinc/67/21/67/509672167.db2.gz PONJBHOWHJNSNE-GXTWGEPZSA-N 1 0 364.373 2.833 20 5 FFBDRO C[C@@H](CC[NH+](C)C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000267942780 509680605 /nfs/dbraw/zinc/68/06/05/509680605.db2.gz SPIZWTBSUGHHQQ-QMMMGPOBSA-N 1 0 362.199 2.566 20 5 FFBDRO C[C@H](Nc1ccc(C(=O)N2CC[NH2+]C[C@@H]2C)cc1[N+](=O)[O-])c1ccccn1 ZINC000237629955 509695736 /nfs/dbraw/zinc/69/57/36/509695736.db2.gz JSTVOIQKDLYTAY-KBPBESRZSA-N 1 0 369.425 2.597 20 5 FFBDRO CCc1n[nH]c(C(=O)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000186436809 509707562 /nfs/dbraw/zinc/70/75/62/509707562.db2.gz BPNJXOWGOMJKKJ-INIZCTEOSA-N 1 0 371.441 2.521 20 5 FFBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)NC[C@@H]([NH3+])C3CC3)cc2[N+](=O)[O-])C1 ZINC000237691926 509711673 /nfs/dbraw/zinc/71/16/73/509711673.db2.gz YHITUHOGLJNMDC-DVOMOZLQSA-N 1 0 360.458 2.544 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)Cc1nccn1C(F)F ZINC000173672601 509712487 /nfs/dbraw/zinc/71/24/87/509712487.db2.gz FTFPRBKVJCDQQI-UHFFFAOYSA-N 1 0 367.356 2.955 20 5 FFBDRO C[NH+](C)CCC1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000264839151 509732981 /nfs/dbraw/zinc/73/29/81/509732981.db2.gz AGWAQNLVLZLEPA-UHFFFAOYSA-N 1 0 362.474 2.977 20 5 FFBDRO C[C@H](C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000249733974 509746598 /nfs/dbraw/zinc/74/65/98/509746598.db2.gz CTFCMQPENOWTST-OWCLPIDISA-N 1 0 360.458 2.505 20 5 FFBDRO CC1CCN(c2ccc(C(=O)NCCCC[NH+](C)C)cc2[N+](=O)[O-])CC1 ZINC000264928848 509779657 /nfs/dbraw/zinc/77/96/57/509779657.db2.gz RRSIJHAGRZHYMU-UHFFFAOYSA-N 1 0 362.474 2.903 20 5 FFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N(Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000186576625 509781067 /nfs/dbraw/zinc/78/10/67/509781067.db2.gz UQQBKIDNMVVWQK-SFHVURJKSA-N 1 0 368.437 2.703 20 5 FFBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000268153869 509783546 /nfs/dbraw/zinc/78/35/46/509783546.db2.gz PCPLKOREEXVSMJ-LBPRGKRZSA-N 1 0 354.838 2.731 20 5 FFBDRO O=C(Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000238045459 509808827 /nfs/dbraw/zinc/80/88/27/509808827.db2.gz GOWJVDJUMDSHIY-UHFFFAOYSA-N 1 0 369.377 2.756 20 5 FFBDRO CCC[NH+]1CCC(CNS(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])CC1 ZINC000189925170 509833145 /nfs/dbraw/zinc/83/31/45/509833145.db2.gz KFFRLLWKRWAKEI-UHFFFAOYSA-N 1 0 369.487 2.612 20 5 FFBDRO Cc1csc([C@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000183566071 509862963 /nfs/dbraw/zinc/86/29/63/509862963.db2.gz MHLOBQKAJSWJHC-XJKSGUPXSA-N 1 0 363.439 2.840 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000193400469 509898977 /nfs/dbraw/zinc/89/89/77/509898977.db2.gz GGJYVIKMIKYOSU-UHFFFAOYSA-N 1 0 364.446 2.712 20 5 FFBDRO COCc1ccc(CNC(=O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000180396096 509902871 /nfs/dbraw/zinc/90/28/71/509902871.db2.gz PJKKIPCTESPAEF-AWEZNQCLSA-N 1 0 357.410 2.708 20 5 FFBDRO COc1cccc(CN(C)C(=O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000180413952 509913219 /nfs/dbraw/zinc/91/32/19/509913219.db2.gz HIMJQMPFPXXJCO-CQSZACIVSA-N 1 0 357.410 2.913 20 5 FFBDRO CC(=O)Nc1cccc(NC(=O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000180434294 509925105 /nfs/dbraw/zinc/92/51/05/509925105.db2.gz LYRLDJQUHFZYOK-LBPRGKRZSA-N 1 0 356.382 2.843 20 5 FFBDRO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000180476318 509943487 /nfs/dbraw/zinc/94/34/87/509943487.db2.gz LTMGKYZULGHCIY-NSHDSACASA-N 1 0 357.357 2.800 20 5 FFBDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000180508003 509960386 /nfs/dbraw/zinc/96/03/86/509960386.db2.gz QFPAXDXNKXKVRC-CYBMUJFWSA-N 1 0 363.414 2.565 20 5 FFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000265284413 509966902 /nfs/dbraw/zinc/96/69/02/509966902.db2.gz JFMLLZICXQPKNK-KBPBESRZSA-N 1 0 351.472 2.876 20 5 FFBDRO COC(=O)c1cnc(NC[C@@H](C2CCCCC2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000190167630 509982490 /nfs/dbraw/zinc/98/24/90/509982490.db2.gz MPLZFWVPGYOCJF-HNNXBMFYSA-N 1 0 350.419 2.699 20 5 FFBDRO C[C@H]1C[C@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2Br)CC[N@@H+]1C ZINC000180571816 509990391 /nfs/dbraw/zinc/99/03/91/509990391.db2.gz IIQOVIONKJONOW-WDEREUQCSA-N 1 0 370.247 2.912 20 5 FFBDRO CC(C)n1cnnc1[C@@H]1CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000245548149 509997664 /nfs/dbraw/zinc/99/76/64/509997664.db2.gz YFJXPMXVGQSYPC-NVXWUHKLSA-N 1 0 359.430 2.680 20 5 FFBDRO CC(C)[N@H+]1[C@@H]2CC[C@H]1CCN([C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000174233782 510016034 /nfs/dbraw/zinc/01/60/34/510016034.db2.gz ZHXQLMQCFRQMBM-HRCADAONSA-N 1 0 360.458 2.869 20 5 FFBDRO C[C@H]1CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)[C@@H](C[NH3+])C1 ZINC000261759761 510054087 /nfs/dbraw/zinc/05/40/87/510054087.db2.gz JQJAEHONNQERKC-JKSUJKDBSA-N 1 0 363.461 2.741 20 5 FFBDRO [NH3+][C@H]1CCc2nc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])sc2C1 ZINC000261880956 510099870 /nfs/dbraw/zinc/09/98/70/510099870.db2.gz MLYFKNKLRHIIQQ-QMMMGPOBSA-N 1 0 352.803 2.773 20 5 FFBDRO CC[NH+](CC)CCCC1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000193914506 510125237 /nfs/dbraw/zinc/12/52/37/510125237.db2.gz ZFTYYNSLYUBRMR-UHFFFAOYSA-N 1 0 364.446 2.670 20 5 FFBDRO Cc1nn(CCC(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)c(C)c1[N+](=O)[O-] ZINC000187215923 510127757 /nfs/dbraw/zinc/12/77/57/510127757.db2.gz CFRFYXWNCRAMQM-ORAYPTAESA-N 1 0 373.457 2.606 20 5 FFBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000177566179 510136621 /nfs/dbraw/zinc/13/66/21/510136621.db2.gz OBABGUCZOVWJEZ-GHMZBOCLSA-N 1 0 370.247 2.960 20 5 FFBDRO O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000171447137 510163764 /nfs/dbraw/zinc/16/37/64/510163764.db2.gz USUSGFSSKPEXMA-INIZCTEOSA-N 1 0 358.442 2.505 20 5 FFBDRO COc1cc(CN2C[C@H]([NH3+])[C@@H](C)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000262074167 510168235 /nfs/dbraw/zinc/16/82/35/510168235.db2.gz SHYFEGSRVGBZLR-YOEHRIQHSA-N 1 0 371.437 2.961 20 5 FFBDRO COc1cc(CN2C[C@@H](C)[C@H]([NH3+])C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000262074163 510168523 /nfs/dbraw/zinc/16/85/23/510168523.db2.gz SHYFEGSRVGBZLR-RHSMWYFYSA-N 1 0 371.437 2.961 20 5 FFBDRO CCN(C(=O)c1cccc([N+](=O)[O-])c1N)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000184176582 510175100 /nfs/dbraw/zinc/17/51/00/510175100.db2.gz HKJAVGPMJRXDNI-INIZCTEOSA-N 1 0 368.437 2.914 20 5 FFBDRO CC(C)(C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC000262112524 510181267 /nfs/dbraw/zinc/18/12/67/510181267.db2.gz BDKOBCOYOREQSH-ZWKOTPCHSA-N 1 0 353.422 2.826 20 5 FFBDRO O=C(c1cc2ccccc2c2cccnc12)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262137507 510188496 /nfs/dbraw/zinc/18/84/96/510188496.db2.gz XMZYBEUKVOYJDU-QGZVFWFLSA-N 1 0 360.461 2.508 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)[C@@H](C)C1 ZINC000245928886 510213452 /nfs/dbraw/zinc/21/34/52/510213452.db2.gz HZJOUWBORSDOGD-SMDDNHRTSA-N 1 0 371.384 2.999 20 5 FFBDRO C[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Cl)c(Cl)c1 ZINC000174660825 510236063 /nfs/dbraw/zinc/23/60/63/510236063.db2.gz KSPZJQVQFZCHRX-BXKDBHETSA-N 1 0 359.213 2.810 20 5 FFBDRO CC(C)[N@@H+](Cc1cccc(Cl)c1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174735682 510280572 /nfs/dbraw/zinc/28/05/72/510280572.db2.gz RIBGCXSIPQSHMR-MRXNPFEDSA-N 1 0 352.822 2.716 20 5 FFBDRO Cn1cc(C[N@@H+]2CCS[C@@H]3COCC[C@H]32)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000246091319 510287031 /nfs/dbraw/zinc/28/70/31/510287031.db2.gz IPCRNUDDRXXLIL-IAGOWNOFSA-N 1 0 374.466 2.702 20 5 FFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000265936016 510311041 /nfs/dbraw/zinc/31/10/41/510311041.db2.gz BBJIKOPQAOZQKQ-CYBMUJFWSA-N 1 0 351.834 2.735 20 5 FFBDRO O=C(CN1CCC[C@H]1C[NH+]1CCCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000171708293 510322289 /nfs/dbraw/zinc/32/22/89/510322289.db2.gz XZQSKQMSNVVNJM-AWEZNQCLSA-N 1 0 366.849 2.747 20 5 FFBDRO C[NH+](C)C[C@@H]1CCCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000269291349 510328190 /nfs/dbraw/zinc/32/81/90/510328190.db2.gz FHSACROTDNASJB-LBPRGKRZSA-N 1 0 356.220 2.524 20 5 FFBDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000269299349 510330269 /nfs/dbraw/zinc/33/02/69/510330269.db2.gz XECOIKSUNOAYAH-VHSXEESVSA-N 1 0 356.220 2.557 20 5 FFBDRO CC(C)[NH+]1CCC(N2CCN(c3ncc([N+](=O)[O-])cc3Cl)CC2)CC1 ZINC000269310372 510334290 /nfs/dbraw/zinc/33/42/90/510334290.db2.gz FURJJRCSDUZWDJ-UHFFFAOYSA-N 1 0 367.881 2.638 20 5 FFBDRO C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC[N@@H+]1Cc1ccccc1 ZINC000184463487 510336485 /nfs/dbraw/zinc/33/64/85/510336485.db2.gz VWGYXBFATYNFND-HNNXBMFYSA-N 1 0 368.437 2.914 20 5 FFBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000246172487 510338394 /nfs/dbraw/zinc/33/83/94/510338394.db2.gz PVZGBFMRTKXPRU-KGLIPLIRSA-N 1 0 359.430 2.979 20 5 FFBDRO CC[C@@H]([NH2+]CCN1C(=O)c2ccccc2C1=O)c1cccc([N+](=O)[O-])c1 ZINC000177967240 510350823 /nfs/dbraw/zinc/35/08/23/510350823.db2.gz WDNYJYAKEZMUGO-QGZVFWFLSA-N 1 0 353.378 2.932 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)[C@H](C)C1 ZINC000266007665 510356165 /nfs/dbraw/zinc/35/61/65/510356165.db2.gz RPEBHYPAAMJZLQ-RHSMWYFYSA-N 1 0 358.442 2.738 20 5 FFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262723914 510385763 /nfs/dbraw/zinc/38/57/63/510385763.db2.gz GLZZSLXDGSXRRG-QGZVFWFLSA-N 1 0 371.441 2.767 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N3CC[NH2+][C@H](C)[C@@H]3C)cc2[N+](=O)[O-])CC1 ZINC000262745391 510393320 /nfs/dbraw/zinc/39/33/20/510393320.db2.gz JLCAYXJMTURZAP-CABCVRRESA-N 1 0 360.458 2.654 20 5 FFBDRO CCC[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C[C@H]1CCCCO1 ZINC000246319037 510422967 /nfs/dbraw/zinc/42/29/67/510422967.db2.gz HTDZOCCJFLSTMY-SJLPKXTDSA-N 1 0 352.431 2.616 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCc2ccccc2OCC[NH+](C)C)c1 ZINC000266160837 510441323 /nfs/dbraw/zinc/44/13/23/510441323.db2.gz SUZDAIRQYYEMHR-UHFFFAOYSA-N 1 0 357.410 2.774 20 5 FFBDRO C[C@@H](C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000194670695 510473047 /nfs/dbraw/zinc/47/30/47/510473047.db2.gz CTFCMQPENOWTST-OAGGEKHMSA-N 1 0 360.458 2.505 20 5 FFBDRO CC(=O)Nc1cccc([C@@H](C)[NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000178205631 510487361 /nfs/dbraw/zinc/48/73/61/510487361.db2.gz APLUTVDEXQHPJL-GFCCVEGCSA-N 1 0 356.382 2.843 20 5 FFBDRO C[C@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)[C@H]1COc2ccccc21 ZINC000246433344 510488348 /nfs/dbraw/zinc/48/83/48/510488348.db2.gz INEVIYKLOMUPFJ-VHSSKADRSA-N 1 0 367.405 2.854 20 5 FFBDRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000266298926 510504216 /nfs/dbraw/zinc/50/42/16/510504216.db2.gz KNZKPXSRJATNRI-JQWIXIFHSA-N 1 0 357.332 2.922 20 5 FFBDRO C[C@H](CC[NH+](C)C)Nc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl ZINC000266309756 510510944 /nfs/dbraw/zinc/51/09/44/510510944.db2.gz DIKZFYYTZWWCFQ-LLVKDONJSA-N 1 0 365.821 2.546 20 5 FFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCC[N@@H+]1CCc2ccccc2C1 ZINC000172046668 510515851 /nfs/dbraw/zinc/51/58/51/510515851.db2.gz ZKAGHUVUYPQSIZ-UHFFFAOYSA-N 1 0 373.840 2.965 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181679779 510535884 /nfs/dbraw/zinc/53/58/84/510535884.db2.gz REVOTNQRWSFJCU-KGLIPLIRSA-N 1 0 361.442 2.986 20 5 FFBDRO CCC[N@H+](C)C[C@@H]1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000181730675 510563615 /nfs/dbraw/zinc/56/36/15/510563615.db2.gz UCHQYXVPGVVAQY-AWEZNQCLSA-N 1 0 366.437 2.726 20 5 FFBDRO COc1ccccc1CC[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181776687 510586192 /nfs/dbraw/zinc/58/61/92/510586192.db2.gz AGFSUNVZTRENLA-MRXNPFEDSA-N 1 0 360.410 2.518 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000191320482 510605029 /nfs/dbraw/zinc/60/50/29/510605029.db2.gz HUTNOPUNUSEOKR-OAHLLOKOSA-N 1 0 364.446 2.690 20 5 FFBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)c2c(c1)COCO2 ZINC000269994378 510632922 /nfs/dbraw/zinc/63/29/22/510632922.db2.gz PXOKYTYGFFDDKX-NXHRZFHOSA-N 1 0 360.410 2.899 20 5 FFBDRO CCC1(CC)[C@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H]1OC ZINC000191390412 510635830 /nfs/dbraw/zinc/63/58/30/510635830.db2.gz KEWAEKITWLLLOK-XKQJLSEDSA-N 1 0 352.431 2.518 20 5 FFBDRO C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCc2ccccc2C1 ZINC000181884010 510640484 /nfs/dbraw/zinc/64/04/84/510640484.db2.gz YHXLUNLNINXNMU-MSOLQXFVSA-N 1 0 356.422 2.824 20 5 FFBDRO C[C@H](c1ccc(Cl)cc1)[C@H](C)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000175440394 510648370 /nfs/dbraw/zinc/64/83/70/510648370.db2.gz CJCZLGBGKHJRLS-DCGLDWPTSA-N 1 0 366.849 2.930 20 5 FFBDRO O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000188275169 510682349 /nfs/dbraw/zinc/68/23/49/510682349.db2.gz IRZNLEQMOWRQNA-UHFFFAOYSA-N 1 0 356.382 2.586 20 5 FFBDRO Cc1[nH]nc(C(=O)Nc2ccc(OCC[N@H+]3CC[C@H](C)C3)cc2)c1[N+](=O)[O-] ZINC000266611696 510686617 /nfs/dbraw/zinc/68/66/17/510686617.db2.gz BILVYLGQXPNNDS-LBPRGKRZSA-N 1 0 373.413 2.599 20 5 FFBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)cc1[N+](=O)[O-] ZINC000178682539 510719624 /nfs/dbraw/zinc/71/96/24/510719624.db2.gz ZJIPRLWSEVJJOM-STQMWFEESA-N 1 0 370.409 2.680 20 5 FFBDRO CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc3ccn(CC[NH+](C)C)c3c2)n1 ZINC000191627203 510758961 /nfs/dbraw/zinc/75/89/61/510758961.db2.gz YRAAHCKQJUJWGW-UHFFFAOYSA-N 1 0 370.413 2.580 20 5 FFBDRO O=[N+]([O-])c1cnc(N2CCC(OCC[NH+]3CCCC3)CC2)c(Cl)c1 ZINC000266766303 510773239 /nfs/dbraw/zinc/77/32/39/510773239.db2.gz WZVXJTNZEGHGCV-UHFFFAOYSA-N 1 0 354.838 2.724 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CCC([C@@H](C)[NH3+])CC2)cc1SC ZINC000178815134 510786811 /nfs/dbraw/zinc/78/68/11/510786811.db2.gz OOURNTHPWWQBKL-SNVBAGLBSA-N 1 0 353.444 2.525 20 5 FFBDRO CC(C)c1n[nH]c(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000270389078 510788495 /nfs/dbraw/zinc/78/84/95/510788495.db2.gz AHYSWJDDRBRUDA-BBRMVZONSA-N 1 0 357.414 2.617 20 5 FFBDRO COC(=O)[C@@H]1CCCC[C@]1(C)[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000270434290 510807404 /nfs/dbraw/zinc/80/74/04/510807404.db2.gz JUFHNQVNPFHOAT-KSSFIOAISA-N 1 0 374.397 2.856 20 5 FFBDRO CCn1cc([N+](=O)[O-])c(C(=O)NCc2cccc(C[NH+](CC)CC)c2)n1 ZINC000191776109 510825324 /nfs/dbraw/zinc/82/53/24/510825324.db2.gz YMTYQTYNYVMNFV-UHFFFAOYSA-N 1 0 359.430 2.583 20 5 FFBDRO C[C@@](CO)([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1CCCCC1 ZINC000172673899 510841622 /nfs/dbraw/zinc/84/16/22/510841622.db2.gz IGRQBVALXNSSBG-SFHVURJKSA-N 1 0 350.415 2.882 20 5 FFBDRO CC(=O)N1CC[C@H](C[N@@H+](C)[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000247159510 510846733 /nfs/dbraw/zinc/84/67/33/510846733.db2.gz XPCJQVIKZKOTPM-GXTWGEPZSA-N 1 0 373.413 2.506 20 5 FFBDRO Cc1ccc([C@@H]2[C@@H](C)CCC[N@@H+]2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000247190381 510850202 /nfs/dbraw/zinc/85/02/02/510850202.db2.gz BQNUUJUJPRPIIS-IPELMVKDSA-N 1 0 358.442 2.934 20 5 FFBDRO C[N@@H+]1CCC[C@@H]2CN(CC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CC[C@H]21 ZINC000247333575 510857370 /nfs/dbraw/zinc/85/73/70/510857370.db2.gz XBOHXWFQSDKPJU-MLGOLLRUSA-N 1 0 366.849 2.603 20 5 FFBDRO CC[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(OC)c(OC)c1 ZINC000285369277 510879705 /nfs/dbraw/zinc/87/97/05/510879705.db2.gz FSESOMZBXRSLOE-OAHLLOKOSA-N 1 0 373.409 2.952 20 5 FFBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N1CCC([NH+]2CCCCC2)CC1 ZINC000270478263 510882744 /nfs/dbraw/zinc/88/27/44/510882744.db2.gz IENFUWFCORMWHV-UHFFFAOYSA-N 1 0 360.458 2.797 20 5 FFBDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285469976 510919846 /nfs/dbraw/zinc/91/98/46/510919846.db2.gz ZILLRMUMKWWCES-GFCCVEGCSA-N 1 0 355.385 2.558 20 5 FFBDRO CCOc1cc(C[N@@H+]2CCC[C@@H](CN3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000282362990 510946091 /nfs/dbraw/zinc/94/60/91/510946091.db2.gz WFSYNLNBYUEIDV-KRWDZBQOSA-N 1 0 363.458 2.538 20 5 FFBDRO C[C@H]1OCC[C@@]12CN(Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)CCO2 ZINC000294089312 510951709 /nfs/dbraw/zinc/95/17/09/510951709.db2.gz LRFSVFCOLLKVIN-IAQYHMDHSA-N 1 0 360.332 2.993 20 5 FFBDRO CC(C)[N@H+](C)CC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000285581841 510965146 /nfs/dbraw/zinc/96/51/46/510965146.db2.gz AETSSAUVKQJIBB-UHFFFAOYSA-N 1 0 370.247 2.582 20 5 FFBDRO COc1ccc(C[N@@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)cc1[N+](=O)[O-] ZINC000270910310 511022515 /nfs/dbraw/zinc/02/25/15/511022515.db2.gz STVBXGWZEBCMNT-CQSZACIVSA-N 1 0 357.414 2.979 20 5 FFBDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)C2)C1 ZINC000294372817 511043072 /nfs/dbraw/zinc/04/30/72/511043072.db2.gz ZMWQYUFARXSWCG-LJQANCHMSA-N 1 0 358.442 2.727 20 5 FFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC(=O)NCC(F)(F)F ZINC000271019388 511059375 /nfs/dbraw/zinc/05/93/75/511059375.db2.gz AFGLXLMSNWWJMY-JTQLQIEISA-N 1 0 365.377 2.734 20 5 FFBDRO O=C1CC2(CN1)CC[NH+](Cc1ccc(-c3ccc([N+](=O)[O-])cc3)o1)CC2 ZINC000271178170 511109126 /nfs/dbraw/zinc/10/91/26/511109126.db2.gz KBYJKTSGVQBUKL-UHFFFAOYSA-N 1 0 355.394 2.957 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000298217809 511211758 /nfs/dbraw/zinc/21/17/58/511211758.db2.gz FNJLPXRANABAPH-HIFRSBDPSA-N 1 0 355.341 2.519 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2nc(CNC[C@@H]3C[N@@H+]4CCC[C@H]4CO3)cs2)c1 ZINC000362719296 511224685 /nfs/dbraw/zinc/22/46/85/511224685.db2.gz IGTGPQPUVQPKDS-DLBZAZTESA-N 1 0 374.466 2.671 20 5 FFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC000271539928 511239563 /nfs/dbraw/zinc/23/95/63/511239563.db2.gz UBNVZBSQDPWWMP-CYBMUJFWSA-N 1 0 372.512 2.880 20 5 FFBDRO CCN(Cc1c([N+](=O)[O-])ncn1C)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000362852291 511251967 /nfs/dbraw/zinc/25/19/67/511251967.db2.gz PTQMKMVZWUNDKC-NVXWUHKLSA-N 1 0 357.458 2.986 20 5 FFBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC000291608852 511265759 /nfs/dbraw/zinc/26/57/59/511265759.db2.gz QVRNEGBOKVTUJS-VIFPVBQESA-N 1 0 367.254 2.816 20 5 FFBDRO O=C(CCN1CCC[C@@H]1C[NH+]1CCCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000283224293 511284238 /nfs/dbraw/zinc/28/42/38/511284238.db2.gz IELDAVJMGCFLES-MRXNPFEDSA-N 1 0 360.458 2.874 20 5 FFBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000283307486 511316540 /nfs/dbraw/zinc/31/65/40/511316540.db2.gz AIYMLCXGCJGLFJ-LLVKDONJSA-N 1 0 370.247 2.689 20 5 FFBDRO Cn1cc(C[N@@H+]2CC[C@@H](O)CC(C)(C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000295209746 511321698 /nfs/dbraw/zinc/32/16/98/511321698.db2.gz LKWDUESDBNRPDP-QGZVFWFLSA-N 1 0 358.442 2.978 20 5 FFBDRO Cc1c(NC(=O)CC[NH2+][C@H](CCO)c2ccccc2)cccc1[N+](=O)[O-] ZINC000271795072 511326968 /nfs/dbraw/zinc/32/69/68/511326968.db2.gz RGHXKSRFQMMKHQ-QGZVFWFLSA-N 1 0 357.410 2.945 20 5 FFBDRO O=[N+]([O-])c1cnc2ccccc2c1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000291762008 511327984 /nfs/dbraw/zinc/32/79/84/511327984.db2.gz BCFDAHYAOKZFOA-OAHLLOKOSA-N 1 0 356.426 2.692 20 5 FFBDRO CCOc1cc(NC(=O)NCC(C)(C)[NH2+]C)c([N+](=O)[O-])cc1OCC ZINC000271924148 511372212 /nfs/dbraw/zinc/37/22/12/511372212.db2.gz KZOGPGPOZDQQJE-UHFFFAOYSA-N 1 0 354.407 2.512 20 5 FFBDRO O=C(CC[N@@H+]1CCc2ccccc2[C@@H]1CO)Nc1ccccc1[N+](=O)[O-] ZINC000283457185 511373921 /nfs/dbraw/zinc/37/39/21/511373921.db2.gz YOMXRMLPRUVNOG-SFHVURJKSA-N 1 0 355.394 2.515 20 5 FFBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N(C)C1CC[NH+](C(C)C)CC1 ZINC000272088174 511427956 /nfs/dbraw/zinc/42/79/56/511427956.db2.gz HTAANKZBLGTTJE-UHFFFAOYSA-N 1 0 373.450 2.536 20 5 FFBDRO CC(C)[N@@H+]1CCCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000280394618 511450267 /nfs/dbraw/zinc/45/02/67/511450267.db2.gz FWHUDVGQFBIFFS-UHFFFAOYSA-N 1 0 357.813 2.873 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000283664723 511454157 /nfs/dbraw/zinc/45/41/57/511454157.db2.gz FBILQPBQHUARAQ-HNNXBMFYSA-N 1 0 361.442 2.942 20 5 FFBDRO Cc1ccc([C@H](C)[NH2+]C[C@](O)(c2nccn2C)C(F)(F)F)cc1[N+](=O)[O-] ZINC000272184784 511457862 /nfs/dbraw/zinc/45/78/62/511457862.db2.gz YQXLUUGBVPZGCI-NHYWBVRUSA-N 1 0 372.347 2.737 20 5 FFBDRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000298955853 511464688 /nfs/dbraw/zinc/46/46/88/511464688.db2.gz DJQYANWVLOXZCX-WMZOPIPTSA-N 1 0 358.442 2.552 20 5 FFBDRO C[C@H](NC(=O)c1ccc(N)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272234596 511473461 /nfs/dbraw/zinc/47/34/61/511473461.db2.gz FKJJGNRKFGTEHT-WMLDXEAASA-N 1 0 368.437 2.817 20 5 FFBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000280558383 511511230 /nfs/dbraw/zinc/51/12/30/511511230.db2.gz UTOULCANDSLATP-NHYWBVRUSA-N 1 0 369.824 2.873 20 5 FFBDRO C[C@@H]([NH2+]C1CCN(C(=O)c2ccco2)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283867101 511526726 /nfs/dbraw/zinc/52/67/26/511526726.db2.gz BSTWCFYQDVIBIP-GFCCVEGCSA-N 1 0 358.398 2.725 20 5 FFBDRO Cc1c(NC(=O)NC2CC[NH+](C)CC2)cc(Br)cc1[N+](=O)[O-] ZINC000280634097 511541522 /nfs/dbraw/zinc/54/15/22/511541522.db2.gz AOFKALSZFIDRPL-UHFFFAOYSA-N 1 0 371.235 2.881 20 5 FFBDRO C[C@@H]1C[C@H](c2cccnc2)[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000365588063 511546061 /nfs/dbraw/zinc/54/60/61/511546061.db2.gz UENKQNZMYJPZRG-QGPMSJSTSA-N 1 0 357.410 2.813 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)c1 ZINC000299219160 511556048 /nfs/dbraw/zinc/55/60/48/511556048.db2.gz LXWBDGOIZBTADJ-KRWDZBQOSA-N 1 0 361.373 2.775 20 5 FFBDRO CC[C@H](O)[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000299222121 511557173 /nfs/dbraw/zinc/55/71/73/511557173.db2.gz IOJFTQSEYZHURT-RDJZCZTQSA-N 1 0 365.430 2.557 20 5 FFBDRO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](Cc3cnn(C)c3)C2)cccc1[N+](=O)[O-] ZINC000363561413 511629901 /nfs/dbraw/zinc/62/99/01/511629901.db2.gz YZDUZENNIFBOLH-HUUCEWRRSA-N 1 0 371.441 2.528 20 5 FFBDRO CC1(C)[C@H]([NH2+]CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@H]2CCO[C@H]21 ZINC000296144137 511634764 /nfs/dbraw/zinc/63/47/64/511634764.db2.gz JTZHZDILNPLYHR-VCTAVGKDSA-N 1 0 353.806 2.590 20 5 FFBDRO COC(=O)C1CC[NH+](CCCNc2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000296278904 511682738 /nfs/dbraw/zinc/68/27/38/511682738.db2.gz HEXUEGXCHILIDA-UHFFFAOYSA-N 1 0 372.425 2.830 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H](c2ccc(F)cc2)[NH+](C)C)n1 ZINC000281020513 511691459 /nfs/dbraw/zinc/69/14/59/511691459.db2.gz SDEXWAHUHWRPMK-HNNXBMFYSA-N 1 0 362.361 2.630 20 5 FFBDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000303514419 511740581 /nfs/dbraw/zinc/74/05/81/511740581.db2.gz PBADEEMBKRYBAR-GFCCVEGCSA-N 1 0 366.437 2.947 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N(C)Cc1ccccc1S(N)(=O)=O ZINC000292870685 511751919 /nfs/dbraw/zinc/75/19/19/511751919.db2.gz XFOCYEQHYWOHRA-ZDUSSCGKSA-N 1 0 363.439 2.744 20 5 FFBDRO Cc1cc(N2CCC[C@@H](CS(C)(=O)=O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000292879168 511756446 /nfs/dbraw/zinc/75/64/46/511756446.db2.gz YPRBFZWOGLVUCU-CYBMUJFWSA-N 1 0 363.439 2.712 20 5 FFBDRO COCCOc1ccc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000365994294 511772516 /nfs/dbraw/zinc/77/25/16/511772516.db2.gz ITWSDLILGIMAQE-UHFFFAOYSA-N 1 0 360.414 2.654 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])o1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000365999259 511777043 /nfs/dbraw/zinc/77/70/43/511777043.db2.gz YKJZLMUWTGVRJD-HOTGVXAUSA-N 1 0 355.394 2.782 20 5 FFBDRO C[NH+](C)CC(C)(C)CNC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000281267971 511782394 /nfs/dbraw/zinc/78/23/94/511782394.db2.gz VXOPTMXONUCOHG-UHFFFAOYSA-N 1 0 356.426 2.974 20 5 FFBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H](O)COCc2ccccc2Cl)c1 ZINC000324534054 511837257 /nfs/dbraw/zinc/83/72/57/511837257.db2.gz PYUHKFBWMOMKSD-MRXNPFEDSA-N 1 0 350.802 2.916 20 5 FFBDRO C[C@@H]1CN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC[N@@H+](C2CC2)C1 ZINC000296683144 511852433 /nfs/dbraw/zinc/85/24/33/511852433.db2.gz IRLGDIIKDMJVIH-CYBMUJFWSA-N 1 0 357.414 2.561 20 5 FFBDRO CC(C)(CO)[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000293204398 511879966 /nfs/dbraw/zinc/87/99/66/511879966.db2.gz XDQIUWMMAUOXHA-OAHLLOKOSA-N 1 0 355.822 2.573 20 5 FFBDRO COc1cccc(N2CCC([NH+]3CCN(C(C)C)CC3)CC2)c1[N+](=O)[O-] ZINC000274696424 511912717 /nfs/dbraw/zinc/91/27/17/511912717.db2.gz NXPJXLHZIMLWAI-UHFFFAOYSA-N 1 0 362.474 2.598 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)c1 ZINC000281646335 511919626 /nfs/dbraw/zinc/91/96/26/511919626.db2.gz RMDRKFYIIWYEPV-OAHLLOKOSA-N 1 0 363.458 2.861 20 5 FFBDRO C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285140541 512014688 /nfs/dbraw/zinc/01/46/88/512014688.db2.gz LVNRDMPMENXDMS-KDOFPFPSSA-N 1 0 370.453 2.594 20 5 FFBDRO C[C@@H]([NH2+][C@H](Cc1ccccc1)C(=O)N(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293666091 512045363 /nfs/dbraw/zinc/04/53/63/512045363.db2.gz JMEOTQBHRWMZLT-CXAGYDPISA-N 1 0 356.426 2.527 20 5 FFBDRO Cc1nc2sccn2c(=O)c1CC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000285230416 512045613 /nfs/dbraw/zinc/04/56/13/512045613.db2.gz QODRLNULZZLHQM-UHFFFAOYSA-N 1 0 358.423 2.647 20 5 FFBDRO [NH3+][C@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC[C@H]1c1ccc(F)cc1 ZINC000297223484 512066823 /nfs/dbraw/zinc/06/68/23/512066823.db2.gz OFGNETCAQFEEQA-ROUUACIJSA-N 1 0 357.385 2.620 20 5 FFBDRO O=C(C[NH2+]C1(C2CC2)CCOCC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000375699354 512463644 /nfs/dbraw/zinc/46/36/44/512463644.db2.gz VPSUITLMTYHSTB-UHFFFAOYSA-N 1 0 353.806 2.736 20 5 FFBDRO C[C@H]([NH2+][C@H]1CCO[C@H]1C1CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000373811850 512517941 /nfs/dbraw/zinc/51/79/41/512517941.db2.gz GGXKNUOBTARGRJ-LNHVQRHZSA-N 1 0 353.806 2.732 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2nnc(CN3CCC[C@@H]([NH+]4CCCC4)C3)o2)cc1 ZINC000373929172 512575720 /nfs/dbraw/zinc/57/57/20/512575720.db2.gz MHJQUQHEWWNNPD-MRXNPFEDSA-N 1 0 357.414 2.705 20 5 FFBDRO Cc1ccc(N2CC[C@@H]([NH+]3CCC(n4ccc([N+](=O)[O-])n4)CC3)C2=O)cc1 ZINC000376036080 512628889 /nfs/dbraw/zinc/62/88/89/512628889.db2.gz WIQCTSRTFBTGTN-QGZVFWFLSA-N 1 0 369.425 2.542 20 5 FFBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000378192615 512631385 /nfs/dbraw/zinc/63/13/85/512631385.db2.gz UGJVYPACLFYAHK-CHWSQXEVSA-N 1 0 368.231 2.714 20 5 FFBDRO C[C@H]1CN(c2ccc(Cl)cc2[N+](=O)[O-])CC[C@H]1[NH+]1CCN(C)CC1 ZINC000374309525 512758117 /nfs/dbraw/zinc/75/81/17/512758117.db2.gz JQLZBCJNCFIRSO-DZGCQCFKSA-N 1 0 352.866 2.710 20 5 FFBDRO Cc1ccc(C[NH2+]CC(=O)N[C@@H]2CCOc3ccccc32)cc1[N+](=O)[O-] ZINC000374330729 512771774 /nfs/dbraw/zinc/77/17/74/512771774.db2.gz MKGSJPQVODDGCU-MRXNPFEDSA-N 1 0 355.394 2.633 20 5 FFBDRO CO[C@H]1c2ccccc2C[C@H]1[NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000411890585 512862718 /nfs/dbraw/zinc/86/27/18/512862718.db2.gz FPENCAWTOWRIHX-MJGOQNOKSA-N 1 0 355.394 2.744 20 5 FFBDRO CO[C@H]1c2ccccc2C[C@H]1[NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000411893571 512864307 /nfs/dbraw/zinc/86/43/07/512864307.db2.gz NVCNOUWMDZIURX-BEFAXECRSA-N 1 0 355.394 2.744 20 5 FFBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000376567789 512877609 /nfs/dbraw/zinc/87/76/09/512877609.db2.gz AHFZDWCUEVOEAQ-SWLSCSKDSA-N 1 0 353.369 2.772 20 5 FFBDRO NC(=O)[C@]1(c2ccccc2)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000411957880 512889180 /nfs/dbraw/zinc/88/91/80/512889180.db2.gz BQZSNQRHYQJDLM-GOSISDBHSA-N 1 0 359.813 2.877 20 5 FFBDRO COc1ccc(OCC[NH+]2CCC(c3nccc(C)n3)CC2)c([N+](=O)[O-])c1 ZINC000368327677 512900818 /nfs/dbraw/zinc/90/08/18/512900818.db2.gz MLYJBJXCPOXMFZ-UHFFFAOYSA-N 1 0 372.425 2.960 20 5 FFBDRO COC(=O)c1cn([C@H]2CCC[N@@H+]([C@@H](C)c3cc([N+](=O)[O-])ccc3C)C2)nn1 ZINC000368356455 512912458 /nfs/dbraw/zinc/91/24/58/512912458.db2.gz AOFWSSUYXXFJPK-ZFWWWQNUSA-N 1 0 373.413 2.679 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1SC ZINC000374627347 512924895 /nfs/dbraw/zinc/92/48/95/512924895.db2.gz XBDRQYVXCBCVPH-CYZMBNFOSA-N 1 0 365.455 2.525 20 5 FFBDRO Cc1nnc([C@@H]2CC[N@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C2)[nH]1 ZINC000412041372 512926022 /nfs/dbraw/zinc/92/60/22/512926022.db2.gz MQCSJAVKHJNDTI-CQSZACIVSA-N 1 0 368.397 2.708 20 5 FFBDRO COc1ccc(C(=O)N2C[C@@H](C[NH+](C)C)Oc3ccccc32)cc1[N+](=O)[O-] ZINC000370503342 512966739 /nfs/dbraw/zinc/96/67/39/512966739.db2.gz RIWSKASHQJYWNQ-CQSZACIVSA-N 1 0 371.393 2.573 20 5 FFBDRO CC(C)Oc1cc(C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000412126931 512970461 /nfs/dbraw/zinc/97/04/61/512970461.db2.gz PWLJOBUGYXMQPT-HNNXBMFYSA-N 1 0 361.442 2.940 20 5 FFBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000408074912 512994676 /nfs/dbraw/zinc/99/46/76/512994676.db2.gz SHIWSFBZOPVKRP-LZWOXQAQSA-N 1 0 367.471 2.621 20 5 FFBDRO CC(C)Oc1cc(C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)ccc1[N+](=O)[O-] ZINC000412357444 513052750 /nfs/dbraw/zinc/05/27/50/513052750.db2.gz DWZRCQIWUCJPRB-LJQANCHMSA-N 1 0 361.442 2.940 20 5 FFBDRO O=[N+]([O-])c1cc(C[NH2+]CCn2cncn2)ccc1Oc1ccc(F)cc1 ZINC000409525775 513118041 /nfs/dbraw/zinc/11/80/41/513118041.db2.gz RJEBCQMAARMLEZ-UHFFFAOYSA-N 1 0 357.345 2.908 20 5 FFBDRO COc1ccc(C[NH2+]C[C@@]2(CO)C[C@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000428553549 513128483 /nfs/dbraw/zinc/12/84/83/513128483.db2.gz XIYOPPCELOHGGD-QFBILLFUSA-N 1 0 360.385 2.998 20 5 FFBDRO O=C(NC1CC1)c1ccc(NC[C@H]2CCCC[N@@H+]2C2CC2)c([N+](=O)[O-])c1 ZINC000433799382 513153181 /nfs/dbraw/zinc/15/31/81/513153181.db2.gz QZILMJHTEDRAEV-MRXNPFEDSA-N 1 0 358.442 2.916 20 5 FFBDRO CC(C)c1n[nH]c(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)c1[N+](=O)[O-] ZINC000433849558 513166048 /nfs/dbraw/zinc/16/60/48/513166048.db2.gz RAYFKHXPMMLGKO-UHFFFAOYSA-N 1 0 371.441 2.967 20 5 FFBDRO [NH3+]CCCN(Cc1ccccc1)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000417774049 513202380 /nfs/dbraw/zinc/20/23/80/513202380.db2.gz YGIMUNBCFBONRW-UHFFFAOYSA-N 1 0 356.426 2.698 20 5 FFBDRO CS[C@H]1CN(C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000446223666 513212488 /nfs/dbraw/zinc/21/24/88/513212488.db2.gz AFYWAMWAUSNYDS-OLZOCXBDSA-N 1 0 357.863 2.674 20 5 FFBDRO C[C@H](NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]C1 ZINC000428978835 513238063 /nfs/dbraw/zinc/23/80/63/513238063.db2.gz PVXTUCYJAGAMTC-DOTOQJQBSA-N 1 0 374.485 2.949 20 5 FFBDRO CC(C)[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)C[C@H](O)CO ZINC000421410201 513253186 /nfs/dbraw/zinc/25/31/86/513253186.db2.gz OUQQRPDBTGXFLO-ZDUSSCGKSA-N 1 0 350.440 2.887 20 5 FFBDRO COc1ccc(NC(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000415430654 513257582 /nfs/dbraw/zinc/25/75/82/513257582.db2.gz CSAMDHDSPODRBD-ZFWWWQNUSA-N 1 0 362.430 2.989 20 5 FFBDRO CC(C)c1[nH]nc(C(=O)Nc2cccc(OCC[NH+](C)C)c2)c1[N+](=O)[O-] ZINC000434186855 513258625 /nfs/dbraw/zinc/25/86/25/513258625.db2.gz MTOPZGOOGCKNQS-UHFFFAOYSA-N 1 0 361.402 2.634 20 5 FFBDRO COc1cc(CN2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000429039204 513263918 /nfs/dbraw/zinc/26/39/18/513263918.db2.gz HIZBCVVEPVTHON-WOSRLPQWSA-N 1 0 351.422 2.905 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000429040834 513264681 /nfs/dbraw/zinc/26/46/81/513264681.db2.gz NGGQSHMYLVKPGJ-ZSZQSSIHSA-N 1 0 374.485 2.894 20 5 FFBDRO [NH3+]CC[C@@H]1CCCN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000417992648 513323008 /nfs/dbraw/zinc/32/30/08/513323008.db2.gz OVBYGJPXNMVBKS-LBPRGKRZSA-N 1 0 354.838 2.561 20 5 FFBDRO CCC1(CC)[C@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1OC ZINC000429320991 513339236 /nfs/dbraw/zinc/33/92/36/513339236.db2.gz ZCXOHCZFCZOICT-DJIMGWMZSA-N 1 0 352.431 2.518 20 5 FFBDRO O=[N+]([O-])c1ccc(NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c(Br)c1 ZINC000450795668 513344671 /nfs/dbraw/zinc/34/46/71/513344671.db2.gz UPBPWIADVGBQSP-TXEJJXNPSA-N 1 0 356.220 2.632 20 5 FFBDRO C[C@@H]1CN(c2cccc(C(N)=O)c2[N+](=O)[O-])CC[N@H+](Cc2ccccc2)C1 ZINC000450808373 513351487 /nfs/dbraw/zinc/35/14/87/513351487.db2.gz IHZRKFKSUDASSV-HNNXBMFYSA-N 1 0 368.437 2.652 20 5 FFBDRO Cc1c(NC(=O)N[C@@H]2CC[NH2+]C[C@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC000415651820 513362223 /nfs/dbraw/zinc/36/22/23/513362223.db2.gz KSYSGXXFWRNLAJ-LDYMZIIASA-N 1 0 371.235 2.785 20 5 FFBDRO C[C@@H]1CN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC[N@@H+](C2CCC2)C1 ZINC000429392001 513363440 /nfs/dbraw/zinc/36/34/40/513363440.db2.gz DCYKWQJNRPYRHI-CQSZACIVSA-N 1 0 361.442 2.768 20 5 FFBDRO CCOC(=O)CC1([NH2+]CC(=O)Nc2c(C)cccc2[N+](=O)[O-])CCCC1 ZINC000434612413 513367737 /nfs/dbraw/zinc/36/77/37/513367737.db2.gz RRZAHDBZJDOIRC-UHFFFAOYSA-N 1 0 363.414 2.697 20 5 FFBDRO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000418086710 513368084 /nfs/dbraw/zinc/36/80/84/513368084.db2.gz DLZVEOIQRRWSEN-CYBMUJFWSA-N 1 0 372.347 2.650 20 5 FFBDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000418090115 513368487 /nfs/dbraw/zinc/36/84/87/513368487.db2.gz NCNMNHZXTIQDOJ-VXGBXAGGSA-N 1 0 360.336 2.683 20 5 FFBDRO CC1(C)CCc2ccccc2[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000440648878 513369675 /nfs/dbraw/zinc/36/96/75/513369675.db2.gz QNNLASJZJRWFHD-FUHWJXTLSA-N 1 0 358.442 2.846 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)NC2CCC([NH+](C)C)CC2)cc1SC ZINC000421684629 513369909 /nfs/dbraw/zinc/36/99/09/513369909.db2.gz LEKOQXFFHKWEGV-UHFFFAOYSA-N 1 0 367.471 2.928 20 5 FFBDRO Cc1cc(S(=O)(=O)N(CC[NH+](C)C)C2CCCCC2)ccc1[N+](=O)[O-] ZINC000429410764 513370212 /nfs/dbraw/zinc/37/02/12/513370212.db2.gz YRPHEGNMESUXGY-UHFFFAOYSA-N 1 0 369.487 2.788 20 5 FFBDRO O=C(NCCC[C@H]1CCC[NH2+]1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000418098392 513371121 /nfs/dbraw/zinc/37/11/21/513371121.db2.gz ZSVCDBOGOCZXTA-CYBMUJFWSA-N 1 0 374.363 2.945 20 5 FFBDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415689232 513382135 /nfs/dbraw/zinc/38/21/35/513382135.db2.gz CWMGPDHQKMZGNI-DTWKUNHWSA-N 1 0 357.208 2.558 20 5 FFBDRO C[C@@H]1CN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C[C@@]1(C)C[NH3+] ZINC000415703675 513389460 /nfs/dbraw/zinc/38/94/60/513389460.db2.gz RDCKKHGPIXZPBV-YMTOWFKASA-N 1 0 371.235 2.806 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000421758244 513408227 /nfs/dbraw/zinc/40/82/27/513408227.db2.gz QSVZIKVQWMOLPM-UHFFFAOYSA-N 1 0 374.485 2.500 20 5 FFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CC2(N3CCOCC3)CC2)o1 ZINC000434795588 513432890 /nfs/dbraw/zinc/43/28/90/513432890.db2.gz QWCLGTGXBJUGHY-UHFFFAOYSA-N 1 0 357.410 2.809 20 5 FFBDRO Cc1ncsc1CN(C[C@H]1CC[NH2+]C1)C(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000447435849 513476162 /nfs/dbraw/zinc/47/61/62/513476162.db2.gz RNBXZDWIAUIAKH-AWEZNQCLSA-N 1 0 374.466 2.920 20 5 FFBDRO CN(C)C(=O)CCN1CCC([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000447532209 513500882 /nfs/dbraw/zinc/50/08/82/513500882.db2.gz VBBMJKIISUERKU-IBGZPJMESA-N 1 0 374.485 2.505 20 5 FFBDRO COc1ccc(CNC(=O)Nc2ccc3c(c2F)CC[NH2+]C3)cc1[N+](=O)[O-] ZINC000415960558 513501751 /nfs/dbraw/zinc/50/17/51/513501751.db2.gz QBGDBVWOCUUBQV-UHFFFAOYSA-N 1 0 374.372 2.710 20 5 FFBDRO CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000447541152 513502662 /nfs/dbraw/zinc/50/26/62/513502662.db2.gz LIUZJUSGPJLUFX-QKPAOTATSA-N 1 0 363.462 2.512 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@H](CO)Cc2ccccc2)n1 ZINC000447545128 513504345 /nfs/dbraw/zinc/50/43/45/513504345.db2.gz XIRMNLWJYJRBNI-KZNAEPCWSA-N 1 0 358.442 2.716 20 5 FFBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000415966861 513505184 /nfs/dbraw/zinc/50/51/84/513505184.db2.gz WLYQAKPHEACFPS-HNNXBMFYSA-N 1 0 369.425 2.512 20 5 FFBDRO [NH3+][C@H](CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccccc1 ZINC000418432576 513508130 /nfs/dbraw/zinc/50/81/30/513508130.db2.gz SLUSAHIRJNRIJG-GOSISDBHSA-N 1 0 354.410 2.969 20 5 FFBDRO O=[N+]([O-])c1cccc(N2CC[NH+](CCc3ccc4c(c3)CCO4)CC2)c1 ZINC000441203803 513511991 /nfs/dbraw/zinc/51/19/91/513511991.db2.gz SNMZOZYZZVMAGR-UHFFFAOYSA-N 1 0 353.422 2.894 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCc2c[nH]c3ncccc23)n1 ZINC000447586709 513515763 /nfs/dbraw/zinc/51/57/63/513515763.db2.gz NLZFLOWKUNJJID-HZPDHXFCSA-N 1 0 354.414 2.984 20 5 FFBDRO CSC1(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCOCC1 ZINC000447588813 513516121 /nfs/dbraw/zinc/51/61/21/513516121.db2.gz VOFAWRTVLJXXQY-ZIAGYGMSSA-N 1 0 354.476 2.777 20 5 FFBDRO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)[C@@]12CCCO2 ZINC000447594341 513517196 /nfs/dbraw/zinc/51/71/96/513517196.db2.gz YGSWCOYNOCTGHP-JFBPSJKJSA-N 1 0 364.446 2.591 20 5 FFBDRO Cn1nc(CC[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c2ccccc21 ZINC000447593119 513517509 /nfs/dbraw/zinc/51/75/09/513517509.db2.gz PZSYIKUGASEQFN-AEFFLSMTSA-N 1 0 368.441 2.994 20 5 FFBDRO C[C@H]([NH2+]CC(=O)NCCOc1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000451104674 513525760 /nfs/dbraw/zinc/52/57/60/513525760.db2.gz LFEOVDPYRAXIGU-ZDUSSCGKSA-N 1 0 361.373 2.580 20 5 FFBDRO O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000435246740 513543123 /nfs/dbraw/zinc/54/31/23/513543123.db2.gz SMNSLBMGTIBWPF-AWEZNQCLSA-N 1 0 358.423 2.685 20 5 FFBDRO CC(C)(CNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)C[NH+]1CCCC1 ZINC000451154150 513555514 /nfs/dbraw/zinc/55/55/14/513555514.db2.gz JKIDBMSDKSJRBP-UHFFFAOYSA-N 1 0 371.441 2.632 20 5 FFBDRO Cc1cc(OCC(=O)N(CC[NH+](C)C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000430134381 513564075 /nfs/dbraw/zinc/56/40/75/513564075.db2.gz GGTDGNHUUFLBAK-UHFFFAOYSA-N 1 0 371.437 2.872 20 5 FFBDRO CN(C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)C(C)(C)C[NH+]1CCCC1 ZINC000416097175 513570244 /nfs/dbraw/zinc/57/02/44/513570244.db2.gz QJKKYDADJDGOGJ-UHFFFAOYSA-N 1 0 371.441 2.727 20 5 FFBDRO CC(C)(C)OC(=O)CC[C@H]1CCCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000425474066 513586112 /nfs/dbraw/zinc/58/61/12/513586112.db2.gz KVTXFBFDLIJWJR-CQSZACIVSA-N 1 0 352.435 2.768 20 5 FFBDRO COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+][C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000451226420 513607552 /nfs/dbraw/zinc/60/75/52/513607552.db2.gz AAEKFXWJMOEYDU-MCIONIFRSA-N 1 0 363.414 2.633 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[NH2+][C@@H]2COC[C@H]2O)cc1 ZINC000451231106 513609675 /nfs/dbraw/zinc/60/96/75/513609675.db2.gz PTXQSEYOMRRJAH-GDBMZVCRSA-N 1 0 364.785 2.890 20 5 FFBDRO Cn1c(C(=O)N(Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)ccc1[N+](=O)[O-] ZINC000435565209 513619966 /nfs/dbraw/zinc/61/99/66/513619966.db2.gz RTIUZNLHNRODME-OAHLLOKOSA-N 1 0 374.466 2.779 20 5 FFBDRO COc1cc(C[NH2+]C[C@H]2N(C)CCCC2(C)C)c([N+](=O)[O-])cc1OC ZINC000447899970 513620644 /nfs/dbraw/zinc/62/06/44/513620644.db2.gz YPNWRUJLTJMKLJ-QGZVFWFLSA-N 1 0 351.447 2.822 20 5 FFBDRO Cc1ncsc1CN(C[C@@H]1CC[NH2+]C1)C(=O)c1cccc([N+](=O)[O-])c1C ZINC000435602387 513632799 /nfs/dbraw/zinc/63/27/99/513632799.db2.gz CHMDBIVPXPOQFU-CQSZACIVSA-N 1 0 374.466 2.920 20 5 FFBDRO O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000418783971 513656739 /nfs/dbraw/zinc/65/67/39/513656739.db2.gz GAXSGUOCGLJFQK-FVQBIDKESA-N 1 0 358.442 2.657 20 5 FFBDRO CN(C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)C(C)(C)C[NH+]1CCCC1 ZINC000416333076 513716482 /nfs/dbraw/zinc/71/64/82/513716482.db2.gz JWOUYOSYAYSONF-UHFFFAOYSA-N 1 0 361.442 2.891 20 5 FFBDRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000430726049 513733877 /nfs/dbraw/zinc/73/38/77/513733877.db2.gz VHVBCCSTVHXQSK-OAHLLOKOSA-N 1 0 369.849 2.912 20 5 FFBDRO COC(=O)[C@@H]1CSCCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000413616106 513736332 /nfs/dbraw/zinc/73/63/32/513736332.db2.gz YBQPABZYYZKKGG-LBPRGKRZSA-N 1 0 361.423 2.794 20 5 FFBDRO COc1ccc(OCC[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)c([N+](=O)[O-])c1 ZINC000451429462 513746107 /nfs/dbraw/zinc/74/61/07/513746107.db2.gz XJFUIENKAIMNBX-BFYDXBDKSA-N 1 0 350.415 2.608 20 5 FFBDRO C[N@@H+]1CC[C@@H](CNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000436068812 513750209 /nfs/dbraw/zinc/75/02/09/513750209.db2.gz QHOAGHWLCJTKBO-LBPRGKRZSA-N 1 0 353.397 2.502 20 5 FFBDRO CC1(C)[C@H]([NH2+]Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@@H]2CCCO[C@@H]21 ZINC000451479806 513777088 /nfs/dbraw/zinc/77/70/88/513777088.db2.gz NGGOVBYMURSVJZ-IMJJTQAJSA-N 1 0 358.398 2.938 20 5 FFBDRO CN(C(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000430944329 513788780 /nfs/dbraw/zinc/78/87/80/513788780.db2.gz SQXIERZYGKQHRW-GFCCVEGCSA-N 1 0 368.231 2.666 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCSC[C@@H]1C1CCC1 ZINC000419375385 513791820 /nfs/dbraw/zinc/79/18/20/513791820.db2.gz QLKWRPRVJPFHIR-GDBMZVCRSA-N 1 0 352.456 2.552 20 5 FFBDRO O=C(COc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000436255182 513808231 /nfs/dbraw/zinc/80/82/31/513808231.db2.gz WOEFZHNHZHYEKR-QGZVFWFLSA-N 1 0 361.442 2.887 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[NH2+]CC12CCCCC2 ZINC000431078561 513820004 /nfs/dbraw/zinc/82/00/04/513820004.db2.gz UTUGYCZHDRZVRA-UHFFFAOYSA-N 1 0 360.458 2.840 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](C[C@H](O)COCc3ccco3)C2)cc1 ZINC000451543136 513820563 /nfs/dbraw/zinc/82/05/63/513820563.db2.gz AZHMUNSRNNWGQS-AEFFLSMTSA-N 1 0 360.410 2.945 20 5 FFBDRO COc1cc(C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000448712038 513859935 /nfs/dbraw/zinc/85/99/35/513859935.db2.gz HQAQGUYJPPGVSG-STQMWFEESA-N 1 0 367.421 2.840 20 5 FFBDRO CC(C)[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H](CO)C(C)C ZINC000451604330 513861271 /nfs/dbraw/zinc/86/12/71/513861271.db2.gz YKIJCUALSYEWFN-RRQGHBQHSA-N 1 0 351.447 2.801 20 5 FFBDRO COc1cc(C(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000448767293 513888199 /nfs/dbraw/zinc/88/81/99/513888199.db2.gz KHYWZUFOMPOGTM-SGTLLEGYSA-N 1 0 367.421 2.983 20 5 FFBDRO C[C@H]1CC[N@H+](C)CCN1C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000426269211 513891091 /nfs/dbraw/zinc/89/10/91/513891091.db2.gz FLHCNXDTAFIRQD-NSHDSACASA-N 1 0 374.363 2.849 20 5 FFBDRO COc1cc(C(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000448782571 513895562 /nfs/dbraw/zinc/89/55/62/513895562.db2.gz DZBKIESEVRJTKY-XQQFMLRXSA-N 1 0 367.421 2.839 20 5 FFBDRO O=C(CNc1ccc([N+](=O)[O-])c2cnccc12)NCC[NH+]1CCCCCC1 ZINC000431473281 513905444 /nfs/dbraw/zinc/90/54/44/513905444.db2.gz AAZNHIHFHNHOCF-UHFFFAOYSA-N 1 0 371.441 2.547 20 5 FFBDRO Cc1c(NC(=O)CC[N@@H+]2CC[C@@H]3C[C@@H](O)CC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000451691489 513914419 /nfs/dbraw/zinc/91/44/19/513914419.db2.gz CHAPOFQEYSACFM-PMPSAXMXSA-N 1 0 361.442 2.715 20 5 FFBDRO C[NH+](C)[C@H](CC(=O)NCCNc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000431618362 513945814 /nfs/dbraw/zinc/94/58/14/513945814.db2.gz PVHZEDZQHMUDFP-GOSISDBHSA-N 1 0 356.426 2.816 20 5 FFBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NCCC[NH2+]C1CCCCC1 ZINC000419906917 513964126 /nfs/dbraw/zinc/96/41/26/513964126.db2.gz DLSKYGWKFRDGFZ-UHFFFAOYSA-N 1 0 358.442 2.978 20 5 FFBDRO CN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C(C)(C)C[NH+]1CCCCCC1 ZINC000426721917 514023661 /nfs/dbraw/zinc/02/36/61/514023661.db2.gz DYROEWINEGEPCZ-UHFFFAOYSA-N 1 0 362.474 2.780 20 5 FFBDRO COc1ccc(CNC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)cc1[N+](=O)[O-] ZINC000423064678 514025159 /nfs/dbraw/zinc/02/51/59/514025159.db2.gz ZKXSEEZOOWBAMB-QGZVFWFLSA-N 1 0 357.410 2.946 20 5 FFBDRO CC1(C)CCC[NH2+][C@@H]1CNc1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000420233722 514055880 /nfs/dbraw/zinc/05/58/80/514055880.db2.gz ATBRXOHSTMCWME-GOSISDBHSA-N 1 0 362.474 2.617 20 5 FFBDRO CCNC(=O)COc1cccc(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000449086926 514067268 /nfs/dbraw/zinc/06/72/68/514067268.db2.gz DURDLOAIWDCAJR-HNNXBMFYSA-N 1 0 371.437 2.831 20 5 FFBDRO CCOC(=O)c1ccnc(NC[C@@H]([NH3+])c2ccccc2CC)c1[N+](=O)[O-] ZINC000420279627 514070171 /nfs/dbraw/zinc/07/01/71/514070171.db2.gz PJLRFLOGNCYSCZ-OAHLLOKOSA-N 1 0 358.398 2.841 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](O)COc1ccc(F)c(F)c1 ZINC000449132352 514086114 /nfs/dbraw/zinc/08/61/14/514086114.db2.gz UGAFBGUCDFWOMG-OCCSQVGLSA-N 1 0 366.364 2.834 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@]3(CCSC3)C2)c1 ZINC000451963705 514098673 /nfs/dbraw/zinc/09/86/73/514098673.db2.gz IURGVNBELQKNLI-RDJZCZTQSA-N 1 0 352.456 2.554 20 5 FFBDRO COCC[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccc(F)c(Cl)c1 ZINC000451971059 514102290 /nfs/dbraw/zinc/10/22/90/514102290.db2.gz CRPWGMITVRDAOV-UHFFFAOYSA-N 1 0 356.785 2.732 20 5 FFBDRO C[N@@H+]1CCC[C@H]1CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444034566 514103864 /nfs/dbraw/zinc/10/38/64/514103864.db2.gz HWGMBTCADKBVMK-LBPRGKRZSA-N 1 0 353.397 2.644 20 5 FFBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000449204065 514112196 /nfs/dbraw/zinc/11/21/96/514112196.db2.gz LXXROKGQEQCMEF-CVEARBPZSA-N 1 0 360.458 2.635 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000449214766 514116332 /nfs/dbraw/zinc/11/63/32/514116332.db2.gz ZFXITLRAXJXCQE-LSTHTHJFSA-N 1 0 369.465 2.751 20 5 FFBDRO CCn1nccc1N1CCC[C@@H]([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])C1=O ZINC000449276145 514142680 /nfs/dbraw/zinc/14/26/80/514142680.db2.gz AZFAJCVREBAETL-GDBMZVCRSA-N 1 0 371.441 2.527 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NCc2ccc([C@H](C)[NH3+])cc2)c1 ZINC000420445027 514150076 /nfs/dbraw/zinc/15/00/76/514150076.db2.gz HIIYJGPAFZYXBI-ZDUSSCGKSA-N 1 0 363.439 2.710 20 5 FFBDRO CCc1ccc([C@@H](NC[C@H]2C[NH2+]CCCO2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000423493249 514151565 /nfs/dbraw/zinc/15/15/65/514151565.db2.gz PSNUURVFCCYLHZ-MJGOQNOKSA-N 1 0 359.426 2.808 20 5 FFBDRO CCC[C@H]1C[NH2+]CCN1C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000423520635 514159620 /nfs/dbraw/zinc/15/96/20/514159620.db2.gz RSBBDEOJGQEIQL-LBPRGKRZSA-N 1 0 357.863 2.941 20 5 FFBDRO C[C@@]1(CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CCC[NH2+]C1 ZINC000423523317 514161263 /nfs/dbraw/zinc/16/12/63/514161263.db2.gz NGXGNZGXABNXII-OAHLLOKOSA-N 1 0 357.863 2.846 20 5 FFBDRO CC[N@H+](CCNC(=O)c1ccc([N+](=O)[O-])c(OC)c1)CCC(F)(F)F ZINC000427275817 514169469 /nfs/dbraw/zinc/16/94/69/514169469.db2.gz UTHPWTXOMBFMPP-UHFFFAOYSA-N 1 0 363.336 2.608 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@H](CO)[C@H]3CCCOC3)cs2)c1 ZINC000414546123 514172991 /nfs/dbraw/zinc/17/29/91/514172991.db2.gz GIFJIDUMLZIYFE-XJKSGUPXSA-N 1 0 363.439 2.595 20 5 FFBDRO O=C(NCC[C@H]1CCC[NH2+]1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000423580912 514174566 /nfs/dbraw/zinc/17/45/66/514174566.db2.gz ANPCTPCIZWKPQD-GFCCVEGCSA-N 1 0 353.397 2.692 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@@H](O)[C@@H](CO)C3)o2)c(Cl)c1 ZINC000414561205 514181027 /nfs/dbraw/zinc/18/10/27/514181027.db2.gz SBNZLUUSILYRBG-BDJLRTHQSA-N 1 0 366.801 2.683 20 5 FFBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2c(C(N)=O)cccc2[N+](=O)[O-])C1 ZINC000420581458 514190457 /nfs/dbraw/zinc/19/04/57/514190457.db2.gz GZLHVIRLYSEKAS-UKRRQHHQSA-N 1 0 354.410 2.941 20 5 FFBDRO NC(=O)c1cccc([N+](=O)[O-])c1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000420583339 514192155 /nfs/dbraw/zinc/19/21/55/514192155.db2.gz KPQCDGYTYBNXGJ-OAHLLOKOSA-N 1 0 360.458 2.786 20 5 FFBDRO COC(=O)[C@H]1CSCC[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000414580269 514192291 /nfs/dbraw/zinc/19/22/91/514192291.db2.gz JPLRHBRIYBSMRA-JEMSNHSXSA-N 1 0 350.440 2.836 20 5 FFBDRO NC(=O)c1cccc([N+](=O)[O-])c1N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000420589078 514192953 /nfs/dbraw/zinc/19/29/53/514192953.db2.gz SPPQDEQBGPMDRF-HNNXBMFYSA-N 1 0 354.410 2.770 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000427360233 514193990 /nfs/dbraw/zinc/19/39/90/514193990.db2.gz YLFODJVQHIYHCE-KDOFPFPSSA-N 1 0 369.421 2.854 20 5 FFBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000423694862 514204168 /nfs/dbraw/zinc/20/41/68/514204168.db2.gz LABAZDGCERKRIZ-CMPLNLGQSA-N 1 0 355.847 2.551 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000437950742 514275647 /nfs/dbraw/zinc/27/56/47/514275647.db2.gz VWIDPNWUALPCEP-UKPHBRMFSA-N 1 0 373.409 2.665 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N[C@@H]3CC[C@H](C[NH3+])C3)cc2[N+](=O)[O-])CC1 ZINC000449706529 514314722 /nfs/dbraw/zinc/31/47/22/514314722.db2.gz AYSDMTROEMXTCH-GOEBONIOSA-N 1 0 360.458 2.688 20 5 FFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1nc(-c2ccccn2)n[nH]1 ZINC000449707875 514315745 /nfs/dbraw/zinc/31/57/45/514315745.db2.gz FEAKXUYPLYYTBI-CYBMUJFWSA-N 1 0 352.398 2.886 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(C2CC[NH2+]CC2)cs1 ZINC000423975556 514317040 /nfs/dbraw/zinc/31/70/40/514317040.db2.gz DGUQPXLSBAUBBH-UHFFFAOYSA-N 1 0 362.411 2.779 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C(=O)Nc2nc(C3CC[NH2+]CC3)cs2)c1 ZINC000423978640 514319882 /nfs/dbraw/zinc/31/98/82/514319882.db2.gz MVQYGLBPJUEBLU-UHFFFAOYSA-N 1 0 362.411 2.779 20 5 FFBDRO COC(=O)c1cnc(Nc2cccc3c2OCC[C@H]3[NH+](C)C)c([N+](=O)[O-])c1 ZINC000432925280 514324108 /nfs/dbraw/zinc/32/41/08/514324108.db2.gz BJCIUVMCNOERMJ-CQSZACIVSA-N 1 0 372.381 2.905 20 5 FFBDRO CC1(C)[NH2+]CC[C@H]1NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000449748397 514335472 /nfs/dbraw/zinc/33/54/72/514335472.db2.gz LVHUAAVOSJNDDJ-CYBMUJFWSA-N 1 0 374.363 2.672 20 5 FFBDRO [NH3+][C@H]1CCCO[C@H]1C1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000424008820 514337080 /nfs/dbraw/zinc/33/70/80/514337080.db2.gz XBTTYAPZPIEJJA-YJBOKZPZSA-N 1 0 373.409 2.700 20 5 FFBDRO CC(C)[N@@H+]1CC[C@H](N(C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000449786757 514352435 /nfs/dbraw/zinc/35/24/35/514352435.db2.gz PYQIZIIOTQTOLK-SFHVURJKSA-N 1 0 357.458 2.910 20 5 FFBDRO O=C(NCC[C@H]1CCC[NH2+]C1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414943747 514368211 /nfs/dbraw/zinc/36/82/11/514368211.db2.gz FVCFBLNKHKDNCG-SNVBAGLBSA-N 1 0 358.345 2.707 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@H](CC(F)(F)F)C2)c1 ZINC000420938482 514387691 /nfs/dbraw/zinc/38/76/91/514387691.db2.gz AWYVRSDJBZDBOM-TZMCWYRMSA-N 1 0 362.348 2.999 20 5 FFBDRO COc1ccc(-c2ccc(CN[C@H]3C[NH2+]CCC3(F)F)o2)c([N+](=O)[O-])c1 ZINC000414993628 514390400 /nfs/dbraw/zinc/39/04/00/514390400.db2.gz CSAJIUGFCKMSJJ-INIZCTEOSA-N 1 0 367.352 2.950 20 5 FFBDRO CS(=O)(=O)CCCC[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000424166776 514404476 /nfs/dbraw/zinc/40/44/76/514404476.db2.gz BFUJDMZGJPOZND-UHFFFAOYSA-N 1 0 352.412 2.769 20 5 FFBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)C[C@H]1CCC[N@@H+]1C ZINC000420994431 514428824 /nfs/dbraw/zinc/42/88/24/514428824.db2.gz CDQFXFDDXJBCGC-WCQYABFASA-N 1 0 354.838 2.601 20 5 FFBDRO COc1cc(CN2CC[C@H](C)[C@@H](C[NH3+])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000415103287 514444903 /nfs/dbraw/zinc/44/49/03/514444903.db2.gz DAZFSFZHEJADGZ-JQWIXIFHSA-N 1 0 359.373 2.622 20 5 FFBDRO C[C@H]1CCCN(c2ccc(C(=O)N(C)C3CC[NH2+]CC3)cc2[N+](=O)[O-])C1 ZINC000428331482 514449865 /nfs/dbraw/zinc/44/98/65/514449865.db2.gz PTTFLQHRNZEVNG-AWEZNQCLSA-N 1 0 360.458 2.655 20 5 FFBDRO COC(=O)Cc1ccc(N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000450218476 514548714 /nfs/dbraw/zinc/54/87/14/514548714.db2.gz XVGHWJZQHVZVGW-QGZVFWFLSA-N 1 0 369.421 2.997 20 5 FFBDRO C[C@H](c1ccccc1)[C@@H](O)C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000450257235 514568698 /nfs/dbraw/zinc/56/86/98/514568698.db2.gz KKERXOBOBCAAFZ-UZLBHIALSA-N 1 0 355.438 2.881 20 5 FFBDRO CCN1CC[NH+](C[C@@H](C)CNc2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000450262390 514570661 /nfs/dbraw/zinc/57/06/61/514570661.db2.gz MYTWWYJPKABOGK-HNNXBMFYSA-N 1 0 357.458 2.829 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000453293051 514592021 /nfs/dbraw/zinc/59/20/21/514592021.db2.gz WQFOKDZDGBDQGS-HLLBOEOZSA-N 1 0 353.422 2.807 20 5 FFBDRO Cn1nccc1[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCO1 ZINC000453355873 514607305 /nfs/dbraw/zinc/60/73/05/514607305.db2.gz RHCRPVPYHGJRJR-AESZEHBQSA-N 1 0 374.445 2.518 20 5 FFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000458192864 514616890 /nfs/dbraw/zinc/61/68/90/514616890.db2.gz PGKUOJKALXYNMH-UONOGXRCSA-N 1 0 351.472 2.924 20 5 FFBDRO O=C(C[NH2+][C@@H]1CCCC[C@H]1OC(F)F)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000502563893 514696206 /nfs/dbraw/zinc/69/62/06/514696206.db2.gz SLQIGYQBHRUCGA-UKRRQHHQSA-N 1 0 369.368 2.624 20 5 FFBDRO Cn1c(C(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000502567312 514697400 /nfs/dbraw/zinc/69/74/00/514697400.db2.gz YQJDYXNYHWWZHD-UHFFFAOYSA-N 1 0 356.426 2.500 20 5 FFBDRO CC[NH+](CC)CCO[C@@H]1CCN(c2cc(OC)c([N+](=O)[O-])cc2F)C1 ZINC000508280276 514729662 /nfs/dbraw/zinc/72/96/62/514729662.db2.gz OYEPELBBJGBFDH-CYBMUJFWSA-N 1 0 355.410 2.680 20 5 FFBDRO CCCC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000502713451 514750147 /nfs/dbraw/zinc/75/01/47/514750147.db2.gz XGBKJYDFFWKEPE-AWEZNQCLSA-N 1 0 355.460 2.528 20 5 FFBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000502809316 514786873 /nfs/dbraw/zinc/78/68/73/514786873.db2.gz CFAFJQZIVKEMDS-HNNXBMFYSA-N 1 0 364.446 2.667 20 5 FFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000466923251 514828806 /nfs/dbraw/zinc/82/88/06/514828806.db2.gz JFNHNDHENWGVBG-KSSFIOAISA-N 1 0 360.458 2.998 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)CCOc2ccc(OC)cc2[N+](=O)[O-])C[C@H]1C ZINC000484919890 514845381 /nfs/dbraw/zinc/84/53/81/514845381.db2.gz MFPHFDPDUJCQFH-CABCVRRESA-N 1 0 351.447 2.787 20 5 FFBDRO Cc1c(NC(=O)CCN(CC[NH3+])Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000466990422 514854439 /nfs/dbraw/zinc/85/44/39/514854439.db2.gz XYHGCXJNCYZQKR-UHFFFAOYSA-N 1 0 356.426 2.693 20 5 FFBDRO CN(C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000498496441 514931302 /nfs/dbraw/zinc/93/13/02/514931302.db2.gz RMUOKPKWOJXXDJ-OAHLLOKOSA-N 1 0 366.849 2.669 20 5 FFBDRO CC[C@H](CNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000480400309 514945225 /nfs/dbraw/zinc/94/52/25/514945225.db2.gz BYZUEPGBURMOMK-OAHLLOKOSA-N 1 0 371.441 2.846 20 5 FFBDRO C[C@H](C[NH+]1CCCCCC1)NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000476225672 514957005 /nfs/dbraw/zinc/95/70/05/514957005.db2.gz SHZAGIJCNVVTCQ-OAHLLOKOSA-N 1 0 358.442 2.930 20 5 FFBDRO Cc1ccc(C[C@H](CO)[NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000467358448 514987594 /nfs/dbraw/zinc/98/75/94/514987594.db2.gz ODRUUVWVJDWCFC-CRAIPNDOSA-N 1 0 371.437 2.814 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1CCC[C@H]1OC(F)F ZINC000503396216 515018946 /nfs/dbraw/zinc/01/89/46/515018946.db2.gz FWQFCNSNGPSNIM-BXUZGUMPSA-N 1 0 373.356 2.682 20 5 FFBDRO COCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC1 ZINC000485396516 515022577 /nfs/dbraw/zinc/02/25/77/515022577.db2.gz LZAMCJUQROCKOM-UHFFFAOYSA-N 1 0 374.416 2.741 20 5 FFBDRO COCCC[N@H+](C)CCNc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000485404902 515027297 /nfs/dbraw/zinc/02/72/97/515027297.db2.gz LPYBXQNGJDCLHT-UHFFFAOYSA-N 1 0 362.405 2.598 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCC(C)(C)C[NH+]2CCCC2)c1C ZINC000480785790 515082437 /nfs/dbraw/zinc/08/24/37/515082437.db2.gz JRRAXIHLMGZKPO-UHFFFAOYSA-N 1 0 369.487 2.612 20 5 FFBDRO CC(C)[NH+]1CCN(c2cccc(NC(=O)c3cc([N+](=O)[O-])c[nH]3)c2)CC1 ZINC000503765941 515137145 /nfs/dbraw/zinc/13/71/45/515137145.db2.gz SIVOWWYZCUJKNM-UHFFFAOYSA-N 1 0 357.414 2.706 20 5 FFBDRO C[N@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)CCn1cc([N+](=O)[O-])cn1 ZINC000472231860 515179226 /nfs/dbraw/zinc/17/92/26/515179226.db2.gz HPLFSHRSNDIWQH-UHFFFAOYSA-N 1 0 372.404 2.885 20 5 FFBDRO COc1cc(C[NH+]2CCC(C(=O)N3CCCCC3)CC2)ccc1[N+](=O)[O-] ZINC000485801195 515193989 /nfs/dbraw/zinc/19/39/89/515193989.db2.gz OHCUVEMMFVQMEP-UHFFFAOYSA-N 1 0 361.442 2.828 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000499141080 515216997 /nfs/dbraw/zinc/21/69/97/515216997.db2.gz HIVCZVRHFHIIOC-QGZVFWFLSA-N 1 0 357.410 2.945 20 5 FFBDRO CNc1c(C(=O)NCc2ccc(C[NH+](C)C)c(F)c2)cccc1[N+](=O)[O-] ZINC000462772157 515234589 /nfs/dbraw/zinc/23/45/89/515234589.db2.gz HMJMQQZJUXBMQU-UHFFFAOYSA-N 1 0 360.389 2.767 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000462881817 515279680 /nfs/dbraw/zinc/27/96/80/515279680.db2.gz AUZGGVFWUASVJR-LEWSCRJBSA-N 1 0 367.833 2.520 20 5 FFBDRO O=C1[C@@H]([N@@H+]2CCC[C@]3(CCCOC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000477051872 515303213 /nfs/dbraw/zinc/30/32/13/515303213.db2.gz RBZSOYHJYGJXED-HKUYNNGSSA-N 1 0 359.426 2.593 20 5 FFBDRO CCOC(=O)c1ccnc(N[C@@H]2CC[N@H+](CC3CCCC3)C2)c1[N+](=O)[O-] ZINC000462950284 515313034 /nfs/dbraw/zinc/31/30/34/515313034.db2.gz ZXPKWRVULBRCIS-CQSZACIVSA-N 1 0 362.430 2.843 20 5 FFBDRO Cc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])n2C)[NH+]2CCCC2)cc1 ZINC000499426579 515318493 /nfs/dbraw/zinc/31/84/93/515318493.db2.gz YTWQWEFSMPWECR-QGZVFWFLSA-N 1 0 356.426 2.809 20 5 FFBDRO O=C(CC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)NCc1ccccc1 ZINC000472629468 515343895 /nfs/dbraw/zinc/34/38/95/515343895.db2.gz LFIYEMMPEZRWDV-SJORKVTESA-N 1 0 371.441 2.571 20 5 FFBDRO Cc1cnc(NCCCN2CC[NH+](Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000463055259 515351477 /nfs/dbraw/zinc/35/14/77/515351477.db2.gz NRRKFYOHFYMNJN-UHFFFAOYSA-N 1 0 369.469 2.918 20 5 FFBDRO C[NH+](C)CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1F)C1CCCCC1 ZINC000477233046 515378609 /nfs/dbraw/zinc/37/86/09/515378609.db2.gz SYFWXOUZGBLYBN-UHFFFAOYSA-N 1 0 351.422 2.999 20 5 FFBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000463143382 515379654 /nfs/dbraw/zinc/37/96/54/515379654.db2.gz OEQSODDHOSCARK-XHSDSOJGSA-N 1 0 362.474 2.514 20 5 FFBDRO CC(C)(CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)C[NH+]1CCCC1 ZINC000481606953 515400648 /nfs/dbraw/zinc/40/06/48/515400648.db2.gz ILUXUGHTEWNVIK-UHFFFAOYSA-N 1 0 371.441 2.632 20 5 FFBDRO CCC[NH+]1CCC(CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000499661153 515403935 /nfs/dbraw/zinc/40/39/35/515403935.db2.gz ARGWIZMPENRVRJ-UHFFFAOYSA-N 1 0 358.442 2.788 20 5 FFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)CN1CCOCC1 ZINC000504895000 515404624 /nfs/dbraw/zinc/40/46/24/515404624.db2.gz QADAZMGFGVYJKG-LSDHHAIUSA-N 1 0 353.488 2.776 20 5 FFBDRO COC(=O)c1ccccc1CC1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000463230545 515407949 /nfs/dbraw/zinc/40/79/49/515407949.db2.gz PKXVUBILIFLRSD-UHFFFAOYSA-N 1 0 372.425 2.533 20 5 FFBDRO C[C@@H](NS(=O)(=O)c1ccc(C[NH+](C)C)cc1)c1ccccc1[N+](=O)[O-] ZINC000477482110 515475246 /nfs/dbraw/zinc/47/52/46/515475246.db2.gz FTXCRAWMEATCER-CYBMUJFWSA-N 1 0 363.439 2.696 20 5 FFBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000499879356 515489980 /nfs/dbraw/zinc/48/99/80/515489980.db2.gz RZFIRMGACYIUBD-HIFRSBDPSA-N 1 0 354.410 2.742 20 5 FFBDRO CO[C@H](CC[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000468769724 515510152 /nfs/dbraw/zinc/51/01/52/515510152.db2.gz AOXRGINWOGFCTM-GXFFZTMASA-N 1 0 363.336 2.869 20 5 FFBDRO Cc1cc(N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000486670464 515587800 /nfs/dbraw/zinc/58/78/00/515587800.db2.gz KLWVJWZQFLADNW-YOEHRIQHSA-N 1 0 353.426 2.891 20 5 FFBDRO COc1cc(C[NH2+][C@@H](CN2CCOCC2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000493005765 515588150 /nfs/dbraw/zinc/58/81/50/515588150.db2.gz ADLDEQUFQDVFLW-SFHVURJKSA-N 1 0 371.437 2.767 20 5 FFBDRO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000482152913 515589642 /nfs/dbraw/zinc/58/96/42/515589642.db2.gz SSGPXTGZKCQYEG-DLBZAZTESA-N 1 0 362.474 2.684 20 5 FFBDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)c3ccc(OC(F)F)c([N+](=O)[O-])c3)C2)C1 ZINC000505635130 515618075 /nfs/dbraw/zinc/61/80/75/515618075.db2.gz OBTPVCJBUAQMQJ-KRWDZBQOSA-N 1 0 369.368 2.754 20 5 FFBDRO CCOc1cc(C[NH2+][C@]2(CO)C[C@@H](OCC)C2(C)C)ccc1[N+](=O)[O-] ZINC000493570916 515642751 /nfs/dbraw/zinc/64/27/51/515642751.db2.gz CWFNLAWEQIVPRI-AEFFLSMTSA-N 1 0 352.431 2.649 20 5 FFBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000477953075 515649688 /nfs/dbraw/zinc/64/96/88/515649688.db2.gz BOKOAOAGWFGHCX-UHFFFAOYSA-N 1 0 360.458 2.779 20 5 FFBDRO C[NH+](C)Cc1ccnc(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)c1 ZINC000482342754 515656716 /nfs/dbraw/zinc/65/67/16/515656716.db2.gz JCTINIBEWMFYMQ-UHFFFAOYSA-N 1 0 353.382 2.645 20 5 FFBDRO Cn1c(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)ccc1[N+](=O)[O-] ZINC000500302986 515659536 /nfs/dbraw/zinc/65/95/36/515659536.db2.gz LYLKKHPDJITYRA-ZDUSSCGKSA-N 1 0 362.455 2.637 20 5 FFBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000457116057 515662176 /nfs/dbraw/zinc/66/21/76/515662176.db2.gz LERVPYZZXYSYLH-GXTWGEPZSA-N 1 0 369.849 2.957 20 5 FFBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000457120090 515664851 /nfs/dbraw/zinc/66/48/51/515664851.db2.gz NQBRWMPCTLDPCB-INIZCTEOSA-N 1 0 371.441 2.550 20 5 FFBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1C ZINC000486876630 515669127 /nfs/dbraw/zinc/66/91/27/515669127.db2.gz WLMFEHYEFKUERV-LLVKDONJSA-N 1 0 366.418 2.542 20 5 FFBDRO CC[NH+](CC)C[C@@H](C)NC(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1C ZINC000486889138 515675069 /nfs/dbraw/zinc/67/50/69/515675069.db2.gz YRYBTPZCXGDYAE-LLVKDONJSA-N 1 0 366.418 2.542 20 5 FFBDRO O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000487026731 515726465 /nfs/dbraw/zinc/72/64/65/515726465.db2.gz KXBZBIWKQOTCRF-QGZVFWFLSA-N 1 0 353.422 2.889 20 5 FFBDRO CCOc1cccc(CNC(=O)CN(C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000511103220 515781929 /nfs/dbraw/zinc/78/19/29/515781929.db2.gz BMKQDSYRDPSPTO-UHFFFAOYSA-N 1 0 371.437 2.784 20 5 FFBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000511126469 515796866 /nfs/dbraw/zinc/79/68/66/515796866.db2.gz QHDBZFUDZGPMRS-AWEZNQCLSA-N 1 0 359.348 2.622 20 5 FFBDRO C[C@@H](c1cccc(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])c1)N1CCOCC1 ZINC000511153993 515808472 /nfs/dbraw/zinc/80/84/72/515808472.db2.gz OQKISONUDGKXCR-ZDUSSCGKSA-N 1 0 371.393 2.946 20 5 FFBDRO O=C1[C@H]([N@@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000459796204 515809906 /nfs/dbraw/zinc/80/99/06/515809906.db2.gz PPESSRZYQBRGQF-IPMKNSEASA-N 1 0 373.453 2.573 20 5 FFBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000459801291 515815257 /nfs/dbraw/zinc/81/52/57/515815257.db2.gz KXQRNYWOYQVGAF-DOPJRALCSA-N 1 0 361.442 2.795 20 5 FFBDRO COc1cc(C[N@H+](C)C2CCC(NC(C)=O)CC2)c([N+](=O)[O-])cc1F ZINC000464490308 515845166 /nfs/dbraw/zinc/84/51/66/515845166.db2.gz MAVZYWCSGFYYSO-UHFFFAOYSA-N 1 0 353.394 2.622 20 5 FFBDRO Cc1cnc(N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000474148868 515906601 /nfs/dbraw/zinc/90/66/01/515906601.db2.gz YCOSAJJHSDUPBV-IAGOWNOFSA-N 1 0 356.426 2.593 20 5 FFBDRO COc1ccc(OCC[NH2+][C@@H](CO)c2sccc2C)c([N+](=O)[O-])c1 ZINC000494655761 515912511 /nfs/dbraw/zinc/91/25/11/515912511.db2.gz LWJCVFVFSFTCEZ-ZDUSSCGKSA-N 1 0 352.412 2.675 20 5 FFBDRO CC(C)[C@@H]1CN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1C ZINC000488083091 516110627 /nfs/dbraw/zinc/11/06/27/516110627.db2.gz YVZUBHVWHNWPAX-WBMJQRKESA-N 1 0 368.865 2.847 20 5 FFBDRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000488087554 516113048 /nfs/dbraw/zinc/11/30/48/516113048.db2.gz WUEJIHGHSWHNLO-GJZGRUSLSA-N 1 0 371.441 2.773 20 5 FFBDRO CCC1CCC([N@H+](CCO)C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000488198952 516155497 /nfs/dbraw/zinc/15/54/97/516155497.db2.gz JSZKJIAOCQKOBT-HTWSVDAQSA-N 1 0 366.458 2.598 20 5 FFBDRO CCOc1ccc(C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc1[N+](=O)[O-] ZINC000470210401 516175484 /nfs/dbraw/zinc/17/54/84/516175484.db2.gz AYKLSRPNSDGKNP-HNNXBMFYSA-N 1 0 361.442 2.797 20 5 FFBDRO C[C@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)C1CCS(=O)(=O)CC1 ZINC000474798334 516197602 /nfs/dbraw/zinc/19/76/02/516197602.db2.gz KLUVBGGEXZCCJB-AWEZNQCLSA-N 1 0 354.472 2.720 20 5 FFBDRO O=C([C@@H]1CC[N@@H+](C2CCCCC2)C1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000470301706 516198968 /nfs/dbraw/zinc/19/89/68/516198968.db2.gz BCWACRQXMSDVFV-OAHLLOKOSA-N 1 0 373.453 2.839 20 5 FFBDRO CC[N@@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000488409761 516217581 /nfs/dbraw/zinc/21/75/81/516217581.db2.gz HPZJXWKCPJVYJF-LLVKDONJSA-N 1 0 357.357 2.658 20 5 FFBDRO COc1cc(C(=O)N2CC([N@H+](C)Cc3ccccc3)C2)cc([N+](=O)[O-])c1C ZINC000512408876 516267057 /nfs/dbraw/zinc/26/70/57/516267057.db2.gz KLRCIMNIUSOGAP-UHFFFAOYSA-N 1 0 369.421 2.868 20 5 FFBDRO O=C(Nc1cccc(C[NH+]2CCC(O)CC2)c1)c1ccccc1[N+](=O)[O-] ZINC000488690012 516287541 /nfs/dbraw/zinc/28/75/41/516287541.db2.gz MZFWHXUXYCJMAB-UHFFFAOYSA-N 1 0 355.394 2.804 20 5 FFBDRO CCS(=O)(=O)N1CCC(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000543628083 516334754 /nfs/dbraw/zinc/33/47/54/516334754.db2.gz JNMQOULAGPAEBP-AWEZNQCLSA-N 1 0 369.487 2.616 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@@H]2CCCOc3ccccc32)c1 ZINC000517556131 516360886 /nfs/dbraw/zinc/36/08/86/516360886.db2.gz GIICCSCZBRPECL-MAUKXSAKSA-N 1 0 358.394 2.838 20 5 FFBDRO O=C(N1CCCC1)N1CCC[C@@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000517586817 516376201 /nfs/dbraw/zinc/37/62/01/516376201.db2.gz VVPPQXIBJLIFDH-PBHICJAKSA-N 1 0 358.442 2.852 20 5 FFBDRO O=C(N1CCCC1)N1CCC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000512858030 516389138 /nfs/dbraw/zinc/38/91/38/516389138.db2.gz URNIIDYVGDMXSJ-AWEZNQCLSA-N 1 0 350.394 2.504 20 5 FFBDRO COC(=O)c1cc(C)nc(N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000561157826 516415415 /nfs/dbraw/zinc/41/54/15/516415415.db2.gz XGLZCCUOJWLWBM-AAEUAGOBSA-N 1 0 350.419 2.617 20 5 FFBDRO COc1ccc(CNC(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000517738094 516433344 /nfs/dbraw/zinc/43/33/44/516433344.db2.gz WGEZANITQNMRIB-KBPBESRZSA-N 1 0 364.446 2.523 20 5 FFBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000531388797 516444557 /nfs/dbraw/zinc/44/45/57/516444557.db2.gz CVOMBFKJRMAUAF-WMLDXEAASA-N 1 0 356.426 2.574 20 5 FFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC1CCS(=O)(=O)CC1 ZINC000540149647 516457194 /nfs/dbraw/zinc/45/71/94/516457194.db2.gz VYQVIPDMCFJVQO-CQSZACIVSA-N 1 0 372.512 2.880 20 5 FFBDRO COc1ccc(NC(=O)NCCC[NH+]2CCCCCC2)cc1[N+](=O)[O-] ZINC000543887758 516482180 /nfs/dbraw/zinc/48/21/80/516482180.db2.gz GJCYQTCTVKGYFU-UHFFFAOYSA-N 1 0 350.419 2.991 20 5 FFBDRO C[C@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccc2n[nH]cc2c1 ZINC000513216023 516528140 /nfs/dbraw/zinc/52/81/40/516528140.db2.gz UXBAHNGCHVKXME-LBPRGKRZSA-N 1 0 353.382 2.785 20 5 FFBDRO C[C@@H](CCNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000544138435 516608526 /nfs/dbraw/zinc/60/85/26/516608526.db2.gz LTNJMTIYGVCZCC-ZDUSSCGKSA-N 1 0 355.460 2.675 20 5 FFBDRO COc1cc(CN(C)[C@H]2CC[N@@H+](C3CC3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000513467192 516636146 /nfs/dbraw/zinc/63/61/46/516636146.db2.gz RNYKMUUEESWBHY-ZDUSSCGKSA-N 1 0 371.384 2.873 20 5 FFBDRO C[C@@H](CCNC(=O)NCCOc1ccc([N+](=O)[O-])cc1)[NH+]1CCCCC1 ZINC000544299742 516686572 /nfs/dbraw/zinc/68/65/72/516686572.db2.gz NLGSVIPTRMTIBN-HNNXBMFYSA-N 1 0 364.446 2.537 20 5 FFBDRO COc1cccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])cn2)[NH+]2CCCC2)c1 ZINC000531886426 516693429 /nfs/dbraw/zinc/69/34/29/516693429.db2.gz QOSORAJRRXKZOA-SFHVURJKSA-N 1 0 370.409 2.565 20 5 FFBDRO [NH3+]CCN(Cc1cncc(Br)c1)c1ccccc1[N+](=O)[O-] ZINC000558416658 516729468 /nfs/dbraw/zinc/72/94/68/516729468.db2.gz AITXTRKUIYDRKT-UHFFFAOYSA-N 1 0 351.204 2.718 20 5 FFBDRO C[NH+](C)Cc1cccc(NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000524540221 516748078 /nfs/dbraw/zinc/74/80/78/516748078.db2.gz YKZOJBIEWBYVHV-UHFFFAOYSA-N 1 0 358.398 2.857 20 5 FFBDRO C[NH+](C)[C@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)C1CCCCC1 ZINC000518776126 516768387 /nfs/dbraw/zinc/76/83/87/516768387.db2.gz DFAXJQQGVDPXLO-OAHLLOKOSA-N 1 0 363.414 2.564 20 5 FFBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000561823227 516788369 /nfs/dbraw/zinc/78/83/69/516788369.db2.gz QNABLCJCKLFNGC-YPMHNXCESA-N 1 0 353.369 2.501 20 5 FFBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000514203298 516901338 /nfs/dbraw/zinc/90/13/38/516901338.db2.gz HTDKLSKJVHZYPQ-GFCCVEGCSA-N 1 0 357.357 2.800 20 5 FFBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000514212109 516905397 /nfs/dbraw/zinc/90/53/97/516905397.db2.gz BFVYBZUIPCHYJY-PWSUYJOCSA-N 1 0 357.357 2.608 20 5 FFBDRO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000555417388 516920173 /nfs/dbraw/zinc/92/01/73/516920173.db2.gz NIAQMCOXJXYKJG-SJWGOKEGSA-N 1 0 359.426 2.859 20 5 FFBDRO Cc1c(NC(=O)[C@@H](C)N2CC[C@@]3(C2)CCC[N@H+](C)C3)cccc1[N+](=O)[O-] ZINC000555598142 517002301 /nfs/dbraw/zinc/00/23/01/517002301.db2.gz PBWDGTYUBDKFDD-BEFAXECRSA-N 1 0 360.458 2.648 20 5 FFBDRO COc1ccc(NC(=O)NC(=O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000537075160 517029642 /nfs/dbraw/zinc/02/96/42/517029642.db2.gz JAHOASQZGWSKNE-GFCCVEGCSA-N 1 0 372.381 2.602 20 5 FFBDRO COC(=O)c1cnc(N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)c([N+](=O)[O-])c1 ZINC000514752256 517038417 /nfs/dbraw/zinc/03/84/17/517038417.db2.gz QGEJOVSOYGFIOQ-XJKSGUPXSA-N 1 0 370.409 2.851 20 5 FFBDRO CNc1c(C(=O)Nc2ccc3[nH]c(N(C)C)nc3c2)cccc1[N+](=O)[O-] ZINC000559050620 517058213 /nfs/dbraw/zinc/05/82/13/517058213.db2.gz KRHFGNXGIRORJH-UHFFFAOYSA-N 1 0 354.370 2.831 20 5 FFBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000525554728 517074609 /nfs/dbraw/zinc/07/46/09/517074609.db2.gz PEUUTBNRAOYPTK-WBMJQRKESA-N 1 0 362.455 2.808 20 5 FFBDRO CS[C@@H]1CN(C(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)C[C@H]1[NH+]1CCCC1 ZINC000562403371 517083280 /nfs/dbraw/zinc/08/32/80/517083280.db2.gz IASUYBDCAIMDSK-KBRIMQKVSA-N 1 0 363.483 2.737 20 5 FFBDRO COc1cc(C[C@H](CO)C[NH2+]Cc2ccccc2[N+](=O)[O-])cc(OC)c1 ZINC000537311342 517139944 /nfs/dbraw/zinc/13/99/44/517139944.db2.gz OFJRAYSSYUVBKN-HNNXBMFYSA-N 1 0 360.410 2.553 20 5 FFBDRO Cc1cccc2c1OC[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000519763550 517170080 /nfs/dbraw/zinc/17/00/80/517170080.db2.gz GJBBWCLZPUZPLV-HNNXBMFYSA-N 1 0 355.394 2.825 20 5 FFBDRO CN(C)[C@@H](C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1cccs1 ZINC000548761228 517196170 /nfs/dbraw/zinc/19/61/70/517196170.db2.gz VTYITRZUJHZEEA-HNNXBMFYSA-N 1 0 362.455 2.877 20 5 FFBDRO CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)C1 ZINC000541817731 517231048 /nfs/dbraw/zinc/23/10/48/517231048.db2.gz RQHJGNFYYHDBNI-HNNXBMFYSA-N 1 0 369.487 2.564 20 5 FFBDRO O=C(CC[NH2+][C@H]1CCN(Cc2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000548826066 517238144 /nfs/dbraw/zinc/23/81/44/517238144.db2.gz IVMLIQCGBRBMQT-KRWDZBQOSA-N 1 0 368.437 2.788 20 5 FFBDRO CC[N@H+](CCc1cccs1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000519905519 517238855 /nfs/dbraw/zinc/23/88/55/517238855.db2.gz PIYMLXKXFZYWRD-OAHLLOKOSA-N 1 0 350.440 2.961 20 5 FFBDRO CN(c1ccccc1)c1ccc(C[N@H+](C)CC(C)(CO)CO)cc1[N+](=O)[O-] ZINC000537625390 517266488 /nfs/dbraw/zinc/26/64/88/517266488.db2.gz DJINYCKKHJPXMF-UHFFFAOYSA-N 1 0 373.453 2.785 20 5 FFBDRO C[C@H](CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1)N1CCc2sccc2C1 ZINC000541880185 517271116 /nfs/dbraw/zinc/27/11/16/517271116.db2.gz LVWARZPLZCPYKD-LLVKDONJSA-N 1 0 361.423 2.539 20 5 FFBDRO CC[NH+](CC)CC1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000520165988 517288057 /nfs/dbraw/zinc/28/80/57/517288057.db2.gz FKXGADYIJBAKNI-UHFFFAOYSA-N 1 0 352.410 2.510 20 5 FFBDRO COc1ccc(C[N@H+](C)CCC[NH3+])cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000520229353 517309071 /nfs/dbraw/zinc/30/90/71/517309071.db2.gz NGUMKOYZBHOSGL-UHFFFAOYSA-N 1 0 359.426 2.963 20 5 FFBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCC[N@@H+](C)C(C)C ZINC000559578477 517324280 /nfs/dbraw/zinc/32/42/80/517324280.db2.gz ITKCEPBCQDXREM-UHFFFAOYSA-N 1 0 358.236 2.736 20 5 FFBDRO CC[NH+](CC)CCn1ccc2cc(NC(=O)c3c[nH]nc3[N+](=O)[O-])ccc21 ZINC000549190546 517446342 /nfs/dbraw/zinc/44/63/42/517446342.db2.gz JQWXSEGFWHWVPX-UHFFFAOYSA-N 1 0 370.413 2.867 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)n1 ZINC000552961449 517455110 /nfs/dbraw/zinc/45/51/10/517455110.db2.gz CWTDJHOTTDVMHW-CHWSQXEVSA-N 1 0 350.419 2.556 20 5 FFBDRO COc1ccc(C2([NH2+]CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)CC2)cc1 ZINC000538158978 517488859 /nfs/dbraw/zinc/48/88/59/517488859.db2.gz NDQQUHGXXHXMRO-UHFFFAOYSA-N 1 0 367.405 2.771 20 5 FFBDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2cccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000553059408 517502868 /nfs/dbraw/zinc/50/28/68/517502868.db2.gz JSMINWVOZANALW-GJZGRUSLSA-N 1 0 360.458 2.785 20 5 FFBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2cccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000553059407 517503917 /nfs/dbraw/zinc/50/39/17/517503917.db2.gz JSMINWVOZANALW-CABCVRRESA-N 1 0 360.458 2.785 20 5 FFBDRO CC(C)C[C@@H]1C[C@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000563013508 517582573 /nfs/dbraw/zinc/58/25/73/517582573.db2.gz JKJWOEGHBUASDT-OWCLPIDISA-N 1 0 352.431 2.518 20 5 FFBDRO Cc1cc(NC[C@@H](C)N2CC[NH+](C)CC2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000549486626 517587297 /nfs/dbraw/zinc/58/72/97/517587297.db2.gz BDMNBYDTKINOAX-GFCCVEGCSA-N 1 0 360.380 2.970 20 5 FFBDRO COc1ccc(C(C)(C)C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000516176069 517602553 /nfs/dbraw/zinc/60/25/53/517602553.db2.gz ZRNBGRMYASVZPQ-QGZVFWFLSA-N 1 0 374.437 2.911 20 5 FFBDRO CC(C)[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC000542680634 517684142 /nfs/dbraw/zinc/68/41/42/517684142.db2.gz CWGCUPCOMPAYAA-QGZVFWFLSA-N 1 0 363.439 2.750 20 5 FFBDRO [NH3+]CC[C@@H]1CCCCN1C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000516453508 517696956 /nfs/dbraw/zinc/69/69/56/517696956.db2.gz PJQTYQGJJAJAIG-NSHDSACASA-N 1 0 356.220 2.701 20 5 FFBDRO O=C(CC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)NC1CCCCC1 ZINC000521347201 517699290 /nfs/dbraw/zinc/69/92/90/517699290.db2.gz MRUODFUUYUTUCA-HZPDHXFCSA-N 1 0 363.462 2.704 20 5 FFBDRO Cc1cc(C(=O)N(C)CCC[N@H+](C)Cc2ccncc2)ccc1[N+](=O)[O-] ZINC000556933755 517757409 /nfs/dbraw/zinc/75/74/09/517757409.db2.gz MBGZUYNIRWHQHU-UHFFFAOYSA-N 1 0 356.426 2.892 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+][C@H](C)Cc2ccsc2)cc1[N+](=O)[O-] ZINC000530441552 517775943 /nfs/dbraw/zinc/77/59/43/517775943.db2.gz VJXFNWHQRPZPEF-GFCCVEGCSA-N 1 0 364.423 2.929 20 5 FFBDRO CC(C)OCC[C@H](O)C[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000521614380 517797483 /nfs/dbraw/zinc/79/74/83/517797483.db2.gz LUCDACAEUNEONV-AWEZNQCLSA-N 1 0 350.337 2.879 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]Cc2nc3ccccc3s2)c1 ZINC000560481539 517836939 /nfs/dbraw/zinc/83/69/39/517836939.db2.gz DEDXXUROSOYNOX-ZDUSSCGKSA-N 1 0 359.407 2.734 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000521769870 517850907 /nfs/dbraw/zinc/85/09/07/517850907.db2.gz FNKCTWHSTMVGJZ-RYUDHWBXSA-N 1 0 367.833 2.616 20 5 FFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000563417331 517891597 /nfs/dbraw/zinc/89/15/97/517891597.db2.gz LUCJDXNTBIANLB-QKLQHJQFSA-N 1 0 367.449 2.807 20 5 FFBDRO C[C@@H](Nc1ccc([N+](=O)[O-])c(N2CCOCC2)c1F)C(C)(C)C[NH+](C)C ZINC000563420798 517893680 /nfs/dbraw/zinc/89/36/80/517893680.db2.gz ZEQOTKYYFKODAI-CYBMUJFWSA-N 1 0 368.453 2.959 20 5 FFBDRO CCCc1n[nH]c(C(=O)N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)c1[N+](=O)[O-] ZINC000521907694 517894901 /nfs/dbraw/zinc/89/49/01/517894901.db2.gz LJDGYDGQGLYNHH-ZFWWWQNUSA-N 1 0 371.441 2.836 20 5 FFBDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000521921514 517901310 /nfs/dbraw/zinc/90/13/10/517901310.db2.gz CWFSUPSELZCMCH-HNNXBMFYSA-N 1 0 363.458 2.990 20 5 FFBDRO C[C@@H]1CC[N@H+](C)CCN1C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000543284469 518002949 /nfs/dbraw/zinc/00/29/49/518002949.db2.gz YQKIQBNFAUFSDE-LLVKDONJSA-N 1 0 357.863 2.893 20 5 FFBDRO C[N@@H+]1CC[C@](O)(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000547284770 518058676 /nfs/dbraw/zinc/05/86/76/518058676.db2.gz JZQLXKJXMJJXNB-KRWDZBQOSA-N 1 0 365.817 2.664 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)c1 ZINC000554113723 518065312 /nfs/dbraw/zinc/06/53/12/518065312.db2.gz UZBZMQFNSPGZBU-PMUMKWKESA-N 1 0 361.442 2.796 20 5 FFBDRO CN1CC[NH+](CCCCNc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000539771392 518157937 /nfs/dbraw/zinc/15/79/37/518157937.db2.gz WMQRKHSAJPMIDG-UHFFFAOYSA-N 1 0 371.279 2.797 20 5 FFBDRO C[C@H](CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[N@@H+]1CCCC[C@H]1C ZINC000535371128 518176930 /nfs/dbraw/zinc/17/69/30/518176930.db2.gz FEGMICBIGZKLSS-ZIAGYGMSSA-N 1 0 358.442 2.998 20 5 FFBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000572569508 518250458 /nfs/dbraw/zinc/25/04/58/518250458.db2.gz ISFDCCMODRYMAC-AWEZNQCLSA-N 1 0 374.441 2.758 20 5 FFBDRO CC(C)C[C@H]1C[C@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000581365856 518250688 /nfs/dbraw/zinc/25/06/88/518250688.db2.gz PKQZPTGFWCRFFG-ZBFHGGJFSA-N 1 0 370.471 2.552 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CCc2ccc(F)cc2Cl)c1 ZINC000584346502 518293957 /nfs/dbraw/zinc/29/39/57/518293957.db2.gz MZDMVNQVKDIFGH-HNNXBMFYSA-N 1 0 368.792 2.959 20 5 FFBDRO C[NH+](C)C[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]1)c1ccc(Cl)cc1 ZINC000569845367 518321749 /nfs/dbraw/zinc/32/17/49/518321749.db2.gz MHMHQWCCQORXRH-GFCCVEGCSA-N 1 0 350.806 2.652 20 5 FFBDRO O=C(NCCCCC[NH+]1CCCC1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000578718492 518339770 /nfs/dbraw/zinc/33/97/70/518339770.db2.gz UUMCLOYFTDLMDV-UHFFFAOYSA-N 1 0 360.458 2.929 20 5 FFBDRO C[N@H+](CCNc1c(Br)cncc1[N+](=O)[O-])C1CCCCC1 ZINC000581639925 518382550 /nfs/dbraw/zinc/38/25/50/518382550.db2.gz NUPDEBMNFVADCC-UHFFFAOYSA-N 1 0 357.252 2.851 20 5 FFBDRO CC[C@H]1C[N@H+](C)CCN1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000578839242 518395697 /nfs/dbraw/zinc/39/56/97/518395697.db2.gz ZNHOXMMAKWLBRT-LBPRGKRZSA-N 1 0 371.235 2.915 20 5 FFBDRO C[N@@H+]1CCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C2(CCCCC2)C1 ZINC000581748472 518436960 /nfs/dbraw/zinc/43/69/60/518436960.db2.gz BEKYPBAPHYZEME-UHFFFAOYSA-N 1 0 367.396 2.892 20 5 FFBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000570183746 518483041 /nfs/dbraw/zinc/48/30/41/518483041.db2.gz TUJOOQSJXAWHBR-HXUWFJFHSA-N 1 0 368.437 2.672 20 5 FFBDRO COCCN(CC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])ccc1SC(C)C ZINC000573093203 518504826 /nfs/dbraw/zinc/50/48/26/518504826.db2.gz MMDAYIXSTGVFAZ-UHFFFAOYSA-N 1 0 369.487 2.746 20 5 FFBDRO COc1cccc([N+](=O)[O-])c1NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000564587237 518514697 /nfs/dbraw/zinc/51/46/97/518514697.db2.gz XXTMKHSIQTYEBR-INIZCTEOSA-N 1 0 357.410 2.782 20 5 FFBDRO CC[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@@H]1CCOC(C)(C)C1 ZINC000573142702 518525264 /nfs/dbraw/zinc/52/52/64/518525264.db2.gz HGFJWUSNYGVJAS-MRXNPFEDSA-N 1 0 361.442 2.763 20 5 FFBDRO COc1ccc(-c2ccc(CN3CC[C@H]4C[NH2+]C[C@H]4C3)o2)c([N+](=O)[O-])c1 ZINC000582002896 518542682 /nfs/dbraw/zinc/54/26/82/518542682.db2.gz KPNDBACQNHVPJB-KBPBESRZSA-N 1 0 357.410 2.905 20 5 FFBDRO COc1ncccc1CC[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000579291971 518610103 /nfs/dbraw/zinc/61/01/03/518610103.db2.gz QFDBWQWNGWZEQX-CYBMUJFWSA-N 1 0 358.398 2.548 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CC2(Cc3ccccc3)CCCCC2)c1 ZINC000579346069 518637461 /nfs/dbraw/zinc/63/74/61/518637461.db2.gz YUZCVFKMDBOBIA-IBGZPJMESA-N 1 0 372.469 2.935 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[N@H+](C)[C@H](Cc2ccccc2)C1 ZINC000579384501 518655234 /nfs/dbraw/zinc/65/52/34/518655234.db2.gz VPDQXTSKKQMMED-LJQANCHMSA-N 1 0 355.438 2.962 20 5 FFBDRO CCNc1ccc(C(=O)NCC2(SC)CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000570559487 518667016 /nfs/dbraw/zinc/66/70/16/518667016.db2.gz GMSVKOPKYOLKTC-UHFFFAOYSA-N 1 0 366.487 2.584 20 5 FFBDRO O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000579419903 518668996 /nfs/dbraw/zinc/66/89/96/518668996.db2.gz WPRSTNTUHCPZLQ-QGZVFWFLSA-N 1 0 374.441 2.516 20 5 FFBDRO CS[C@@H]1CN(c2ncnc3sc([N+](=O)[O-])cc32)C[C@@H]1[NH+]1CCCC1 ZINC000588021570 518704268 /nfs/dbraw/zinc/70/42/68/518704268.db2.gz YGBNZSKIYCKTQP-NWDGAFQWSA-N 1 0 365.484 2.616 20 5 FFBDRO CCOc1cc(N2CC[NH+](C[C@@H](O)C(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000582449709 518758035 /nfs/dbraw/zinc/75/80/35/518758035.db2.gz MQNNKFDUFGYHLL-QGZVFWFLSA-N 1 0 351.447 2.523 20 5 FFBDRO C[C@H](C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000577042852 518887695 /nfs/dbraw/zinc/88/76/95/518887695.db2.gz CFGMNKFZYJHLBF-KXBFYZLASA-N 1 0 355.438 2.987 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])cc1SC ZINC000565357875 518915658 /nfs/dbraw/zinc/91/56/58/518915658.db2.gz GWXZUFJKSKVGHF-CMPLNLGQSA-N 1 0 353.444 2.573 20 5 FFBDRO CC(C)OCC[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000589317823 518980369 /nfs/dbraw/zinc/98/03/69/518980369.db2.gz LXELYCWBAQXDST-UHFFFAOYSA-N 1 0 364.183 2.714 20 5 FFBDRO CC[N@H+]1C[C@@H](C)N(C(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000565504871 518988531 /nfs/dbraw/zinc/98/85/31/518988531.db2.gz JHKRISHRRVFMFG-XQQFMLRXSA-N 1 0 369.849 2.957 20 5 FFBDRO Cc1cccc(C2(C[NH2+]C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CCCCC2)c1 ZINC000568350337 518992570 /nfs/dbraw/zinc/99/25/70/518992570.db2.gz BBDWKBVYPCVGIQ-IBGZPJMESA-N 1 0 372.469 2.952 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N(C)CCC[N@H+](C)Cc1ccncc1 ZINC000574121646 518995423 /nfs/dbraw/zinc/99/54/23/518995423.db2.gz UNIXTYWLLKHRID-UHFFFAOYSA-N 1 0 356.426 2.892 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(CN2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000589501888 519020339 /nfs/dbraw/zinc/02/03/39/519020339.db2.gz JQORMEMNDYDLSX-KRWDZBQOSA-N 1 0 361.442 2.832 20 5 FFBDRO C[C@H](C[N@H+](C)Cc1ccccc1)Nc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000583166251 519107511 /nfs/dbraw/zinc/10/75/11/519107511.db2.gz KBDYOSDIIHZSQL-CYBMUJFWSA-N 1 0 367.409 2.598 20 5 FFBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000568638762 519144193 /nfs/dbraw/zinc/14/41/93/519144193.db2.gz GILUVWLUPWEQSI-UHFFFAOYSA-N 1 0 366.425 2.994 20 5 FFBDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000580388021 519146170 /nfs/dbraw/zinc/14/61/70/519146170.db2.gz HPYMLLLTTYMQHG-CRAIPNDOSA-N 1 0 363.458 2.658 20 5 FFBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@@H](C)C1 ZINC000574473720 519171846 /nfs/dbraw/zinc/17/18/46/519171846.db2.gz FZTPMPAMXGDTQG-ZJNRKIDTSA-N 1 0 356.426 2.878 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N3CC[C@H]4C[N@H+](C)C[C@@H]43)cc2[N+](=O)[O-])CC1 ZINC000590446585 519235970 /nfs/dbraw/zinc/23/59/70/519235970.db2.gz UWQQAOQUKZOFNY-LPHOPBHVSA-N 1 0 372.469 2.607 20 5 FFBDRO Cc1ccccc1[C@H]([NH3+])C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000568878261 519263486 /nfs/dbraw/zinc/26/34/86/519263486.db2.gz PQLSGYHYZKZQMN-IBGZPJMESA-N 1 0 369.421 2.973 20 5 FFBDRO CC(C)N(CC[NH+]1CCCCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000568897351 519273515 /nfs/dbraw/zinc/27/35/15/519273515.db2.gz MWIGLDZAYICGFM-UHFFFAOYSA-N 1 0 369.487 2.870 20 5 FFBDRO CC(C)(C)[C@@H]1OCCC[C@@H]1C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000566117022 519311234 /nfs/dbraw/zinc/31/12/34/519311234.db2.gz LMWDPULFAALSQR-UWWQBHOKSA-N 1 0 366.458 2.765 20 5 FFBDRO COc1cccc2c1CC[C@H]2[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000566115817 519311624 /nfs/dbraw/zinc/31/16/24/519311624.db2.gz SITWLDYSXKJYKD-XJKSGUPXSA-N 1 0 358.394 2.620 20 5 FFBDRO Cc1ccccc1OC[C@@H](O)C[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000568977148 519313278 /nfs/dbraw/zinc/31/32/78/519313278.db2.gz PAOUNCNCEHNHIS-KRWDZBQOSA-N 1 0 369.421 2.957 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C[C@H]1CSc2ccccc21 ZINC000566120216 519314731 /nfs/dbraw/zinc/31/47/31/519314731.db2.gz MXHOPSRWZMDNOV-KBPBESRZSA-N 1 0 360.435 2.814 20 5 FFBDRO COc1cncc(/C=C\CC[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000566162934 519342035 /nfs/dbraw/zinc/34/20/35/519342035.db2.gz NLXUOODRNQBEBR-RQOWECAXSA-N 1 0 357.414 2.935 20 5 FFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]Cc1ccc(N2CCOCC2)nc1 ZINC000583641111 519355084 /nfs/dbraw/zinc/35/50/84/519355084.db2.gz FBERBMKHBVIEIN-QGZVFWFLSA-N 1 0 354.410 2.604 20 5 FFBDRO C[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H](O)Cc1ccccc1 ZINC000566233080 519383556 /nfs/dbraw/zinc/38/35/56/519383556.db2.gz XREHEMHTKLQQMS-KBXCAEBGSA-N 1 0 357.410 2.505 20 5 FFBDRO CCC[N@H+](CC)C[C@@H](C)Nc1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000569164169 519408141 /nfs/dbraw/zinc/40/81/41/519408141.db2.gz XZOOCDVGTQKKIU-MRXNPFEDSA-N 1 0 364.490 2.959 20 5 FFBDRO Cn1ncc2ccc(C[NH2+][C@@H]3CCCC[C@H]3n3ccc([N+](=O)[O-])n3)cc21 ZINC000569167390 519410007 /nfs/dbraw/zinc/41/00/07/519410007.db2.gz MOCNCBYLSQLSFR-HZPDHXFCSA-N 1 0 354.414 2.952 20 5 FFBDRO CN(CCC[N@H+](C)Cc1ccncc1)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000583758020 519420310 /nfs/dbraw/zinc/42/03/10/519420310.db2.gz QGBFUDVANRMEGZ-UHFFFAOYSA-N 1 0 360.389 2.723 20 5 FFBDRO CC(C)[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C2CC2)CC[N@@H+]1C ZINC000566383194 519465237 /nfs/dbraw/zinc/46/52/37/519465237.db2.gz ALRKKBITRPQKHY-KRWDZBQOSA-N 1 0 370.457 2.965 20 5 FFBDRO Cc1c(Br)c(=O)n(CC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000566498009 519521732 /nfs/dbraw/zinc/52/17/32/519521732.db2.gz RSKKTOADKZRVJB-QWRGUYRKSA-N 1 0 372.263 2.805 20 5 FFBDRO COc1ccccc1[C@]1(C)C[C@H]1[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000581126779 519537332 /nfs/dbraw/zinc/53/73/32/519537332.db2.gz DDIVRBWQBCIOTB-BEVDRBHNSA-N 1 0 372.421 2.663 20 5 FFBDRO CSC1(CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC[NH+](C)CC1 ZINC000584026640 519551928 /nfs/dbraw/zinc/55/19/28/519551928.db2.gz VRKCKTOHKFIPBR-UHFFFAOYSA-N 1 0 362.455 2.633 20 5 FFBDRO CC(C)(C)c1ccncc1C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000575248614 519571968 /nfs/dbraw/zinc/57/19/68/519571968.db2.gz MYSGLXXPEHWQRK-INIZCTEOSA-N 1 0 359.426 2.817 20 5 FFBDRO CC[NH+]1CCC(CNC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CC1 ZINC000584072961 519576367 /nfs/dbraw/zinc/57/63/67/519576367.db2.gz KHMNFZRNXQKGFN-UHFFFAOYSA-N 1 0 357.357 2.658 20 5 FFBDRO Cc1nn(Cc2ccc(C(=O)NCCC[NH2+]C(C)C)cc2)c(C)c1[N+](=O)[O-] ZINC000572361883 519576872 /nfs/dbraw/zinc/57/68/72/519576872.db2.gz GVGSFIYXKPZTCL-UHFFFAOYSA-N 1 0 373.457 2.574 20 5 FFBDRO Cc1c(Cl)cc(S(=O)(=O)N[C@H](C)C[N@@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000581219837 519582454 /nfs/dbraw/zinc/58/24/54/519582454.db2.gz AIDPMGGDDJGDAL-SNVBAGLBSA-N 1 0 363.867 2.564 20 5 FFBDRO CC1([NH3+])CCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000591306427 519582906 /nfs/dbraw/zinc/58/29/06/519582906.db2.gz WMBXNIWSSFJDFP-UHFFFAOYSA-N 1 0 357.208 2.702 20 5 FFBDRO CCC[N@@H+]1CCC[C@H]1CN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000581243435 519595347 /nfs/dbraw/zinc/59/53/47/519595347.db2.gz BOZYFIASBSZCRK-ZWKOTPCHSA-N 1 0 357.458 2.882 20 5 FFBDRO O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000591362342 519608808 /nfs/dbraw/zinc/60/88/08/519608808.db2.gz ALZLDEUARTUMBR-VSZNYVQBSA-N 1 0 372.469 2.872 20 5 FFBDRO Cc1c(CNC(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000599918771 519949684 /nfs/dbraw/zinc/94/96/84/519949684.db2.gz QDYNEYKGNNXHMA-QWHCGFSZSA-N 1 0 374.363 2.572 20 5 FFBDRO Cn1ccnc1[C@H](N[C@@H]1CC[NH2+]C2(CCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000591582650 519958919 /nfs/dbraw/zinc/95/89/19/519958919.db2.gz RSVXBLFLDZWXGF-NVXWUHKLSA-N 1 0 355.442 2.682 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](C)c1c(C)noc1C ZINC000612461868 519973620 /nfs/dbraw/zinc/97/36/20/519973620.db2.gz NLZMHWSNQDLJCW-SNVBAGLBSA-N 1 0 362.386 2.888 20 5 FFBDRO C[C@@H](C(=O)N1CCN(c2cc[nH+]cc2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000612477937 519982784 /nfs/dbraw/zinc/98/27/84/519982784.db2.gz HEYQXNPAHFJUKC-CYBMUJFWSA-N 1 0 358.373 2.581 20 5 FFBDRO CC1(C)CCC[N@@H+]1CCNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599998582 519993335 /nfs/dbraw/zinc/99/33/35/519993335.db2.gz HWKVNTQRWUCPRX-UHFFFAOYSA-N 1 0 370.247 2.962 20 5 FFBDRO COc1ccccc1[C@@H]([NH3+])CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000591680812 519995899 /nfs/dbraw/zinc/99/58/99/519995899.db2.gz JRUOQKYOWKROKQ-HNNXBMFYSA-N 1 0 370.409 2.608 20 5 FFBDRO C[C@H]1CCCN(c2ccc(C(=O)N[C@@H]3CC34CC[NH2+]CC4)cc2[N+](=O)[O-])C1 ZINC000591685970 519998824 /nfs/dbraw/zinc/99/88/24/519998824.db2.gz GAFAPOZELKWVIW-KBXCAEBGSA-N 1 0 372.469 2.703 20 5 FFBDRO Cn1nnc2c1CC[C@H]([NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)C2 ZINC000594521182 520014272 /nfs/dbraw/zinc/01/42/72/520014272.db2.gz MIFKWBJSPQNLQO-OXJNMPFZSA-N 1 0 363.421 2.960 20 5 FFBDRO CC(C)Oc1ncccc1C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000591728087 520014650 /nfs/dbraw/zinc/01/46/50/520014650.db2.gz RJMVKDJUKSRKCZ-UHFFFAOYSA-N 1 0 358.398 2.895 20 5 FFBDRO CC(C)Oc1nc(NC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000594586556 520039132 /nfs/dbraw/zinc/03/91/32/520039132.db2.gz UOFNLIDIMBCHIZ-SJORKVTESA-N 1 0 370.453 2.956 20 5 FFBDRO O=[N+]([O-])c1ccc(CN2CCC[C@H]([NH+]3CCOCC3)CC2)c(Cl)c1 ZINC000594616483 520057810 /nfs/dbraw/zinc/05/78/10/520057810.db2.gz DBKDRRJGSXOLAM-HNNXBMFYSA-N 1 0 353.850 2.935 20 5 FFBDRO O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CC[NH2+]C2(CCCCC2)C1 ZINC000594628756 520061017 /nfs/dbraw/zinc/06/10/17/520061017.db2.gz ICNXNXGUVQXFLA-UHFFFAOYSA-N 1 0 369.425 2.529 20 5 FFBDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000591850041 520061577 /nfs/dbraw/zinc/06/15/77/520061577.db2.gz UQOOSTJGQQMCIC-NEPJUHHUSA-N 1 0 357.204 2.789 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000594791310 520159834 /nfs/dbraw/zinc/15/98/34/520159834.db2.gz NWDXKHWYGFOISE-CQSZACIVSA-N 1 0 369.487 2.610 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H](n2ccnc2)C1 ZINC000609157478 520213323 /nfs/dbraw/zinc/21/33/23/520213323.db2.gz UVIYIEFZGKHUGZ-INIZCTEOSA-N 1 0 357.414 2.765 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000609182333 520223431 /nfs/dbraw/zinc/22/34/31/520223431.db2.gz OVFCSYMIUWQCKF-UHFFFAOYSA-N 1 0 371.437 2.816 20 5 FFBDRO O=[N+]([O-])c1cc2c(cc1CN[C@H]1CC[N@@H+](C3CCCCC3)C1)OCCO2 ZINC000594977630 520239989 /nfs/dbraw/zinc/23/99/89/520239989.db2.gz MACCUJOYXGXPIU-HNNXBMFYSA-N 1 0 361.442 2.863 20 5 FFBDRO CN1CCN(Cc2ccccc2)[C@@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000594993690 520247426 /nfs/dbraw/zinc/24/74/26/520247426.db2.gz HAIXINXQIKPORF-IBGZPJMESA-N 1 0 354.454 2.501 20 5 FFBDRO CCc1cc(NC[C@@H](C2CC2)[NH+](C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000609287374 520258024 /nfs/dbraw/zinc/25/80/24/520258024.db2.gz FVWLPXILWSKMKC-KRWDZBQOSA-N 1 0 355.442 2.788 20 5 FFBDRO [NH3+]Cc1ccc(CNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000592220703 520267513 /nfs/dbraw/zinc/26/75/13/520267513.db2.gz OWNGDHZUIWIWSI-UHFFFAOYSA-N 1 0 354.410 2.928 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000595048854 520270854 /nfs/dbraw/zinc/27/08/54/520270854.db2.gz RQAZIEOAYOASLM-LSDHHAIUSA-N 1 0 351.447 2.755 20 5 FFBDRO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000609310214 520271294 /nfs/dbraw/zinc/27/12/94/520271294.db2.gz XIHMFEWEPXZRJV-MRXNPFEDSA-N 1 0 372.469 2.942 20 5 FFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCC[C@@H]([S@@](C)=O)C1 ZINC000595059543 520273530 /nfs/dbraw/zinc/27/35/30/520273530.db2.gz FBVVKMPQQJHCKA-ZLHYLOAGSA-N 1 0 367.471 2.591 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000597857340 520283690 /nfs/dbraw/zinc/28/36/90/520283690.db2.gz DUVNYXZRDXCNDY-OAHLLOKOSA-N 1 0 360.458 2.798 20 5 FFBDRO Cn1cc(C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000597859835 520285567 /nfs/dbraw/zinc/28/55/67/520285567.db2.gz YWNRNMBXZLQLJQ-HNNXBMFYSA-N 1 0 371.441 2.598 20 5 FFBDRO O=C1N(CC[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C[C@@H]2CCCCN12 ZINC000595102116 520294508 /nfs/dbraw/zinc/29/45/08/520294508.db2.gz JUAWXRAKGVASRS-WMZOPIPTSA-N 1 0 358.442 2.852 20 5 FFBDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000609358851 520294954 /nfs/dbraw/zinc/29/49/54/520294954.db2.gz GBPRTJXAGSWZHM-GASCZTMLSA-N 1 0 363.462 2.569 20 5 FFBDRO Cc1c(C(=O)NCC2CC[NH+](C3CCOCC3)CC2)cccc1[N+](=O)[O-] ZINC000597877238 520299669 /nfs/dbraw/zinc/29/96/69/520299669.db2.gz FOFGMSCRTVUFMY-UHFFFAOYSA-N 1 0 361.442 2.524 20 5 FFBDRO O=C(COc1cccc([N+](=O)[O-])c1)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000603565021 520309485 /nfs/dbraw/zinc/30/94/85/520309485.db2.gz DSNPLNLVGDXYSZ-QGZVFWFLSA-N 1 0 373.409 2.910 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000597921876 520324691 /nfs/dbraw/zinc/32/46/91/520324691.db2.gz HFSHBUNNHKDCHN-NSHDSACASA-N 1 0 357.357 2.799 20 5 FFBDRO CC[N@@H+]1CCCN(C(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000609522432 520342195 /nfs/dbraw/zinc/34/21/95/520342195.db2.gz KYHHSACEENKCSA-GFCCVEGCSA-N 1 0 355.822 2.570 20 5 FFBDRO CCN(C(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C)C1 ZINC000597943955 520343042 /nfs/dbraw/zinc/34/30/42/520343042.db2.gz BDTJCIOQKKMUDW-QGZVFWFLSA-N 1 0 374.485 2.997 20 5 FFBDRO CC(C)(C)OC(=O)C1(C[NH2+]Cc2csc([N+](=O)[O-])c2)CCOCC1 ZINC000592373069 520356232 /nfs/dbraw/zinc/35/62/32/520356232.db2.gz QIVVCLFPALQWGG-UHFFFAOYSA-N 1 0 356.444 2.884 20 5 FFBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000595225269 520359460 /nfs/dbraw/zinc/35/94/60/520359460.db2.gz LYJKKSMPMSOUQZ-APWZRJJASA-N 1 0 370.453 2.930 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000595225210 520359591 /nfs/dbraw/zinc/35/95/91/520359591.db2.gz KCZYQUTXAPLKRH-HZPDHXFCSA-N 1 0 357.385 2.999 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595233834 520365526 /nfs/dbraw/zinc/36/55/26/520365526.db2.gz VNZHPYJGRYBQBC-AWEZNQCLSA-N 1 0 362.430 2.847 20 5 FFBDRO Cc1nn(Cc2ccc(C(=O)NCC[C@H](C)[NH+](C)C)cc2)c(C)c1[N+](=O)[O-] ZINC000598000487 520369065 /nfs/dbraw/zinc/36/90/65/520369065.db2.gz VEQGWIFUSZUZAT-ZDUSSCGKSA-N 1 0 373.457 2.526 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CCc3nnc4n3CCC4)cs2)c1 ZINC000609598458 520371935 /nfs/dbraw/zinc/37/19/35/520371935.db2.gz KDKJJGNVPZKYMU-UHFFFAOYSA-N 1 0 370.438 2.588 20 5 FFBDRO Cc1c(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000595255744 520375453 /nfs/dbraw/zinc/37/54/53/520375453.db2.gz BNVPAIMYUMYJTL-IAGOWNOFSA-N 1 0 357.385 2.918 20 5 FFBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595262715 520378051 /nfs/dbraw/zinc/37/80/51/520378051.db2.gz BLOOEYSBAJUTBT-QGZVFWFLSA-N 1 0 360.458 2.559 20 5 FFBDRO O=C(NCC(F)(F)F)C1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000603873534 520387036 /nfs/dbraw/zinc/38/70/36/520387036.db2.gz BPLBCOURSVJQHB-UHFFFAOYSA-N 1 0 359.348 2.528 20 5 FFBDRO CC[C@H]1CN(Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000592427651 520387078 /nfs/dbraw/zinc/38/70/78/520387078.db2.gz NJUMTADJDFZLPM-CMPLNLGQSA-N 1 0 359.373 2.764 20 5 FFBDRO C[C@@H]([NH3+])[C@@H]1CN(Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CCO1 ZINC000592428622 520388532 /nfs/dbraw/zinc/38/85/32/520388532.db2.gz IROUJFBXXHOXKR-QRWLVFNGSA-N 1 0 370.453 2.911 20 5 FFBDRO C[C@@H](O)[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1F ZINC000592431072 520388541 /nfs/dbraw/zinc/38/85/41/520388541.db2.gz KXSNBVZMOUSHGH-XIKOKIGWSA-N 1 0 361.373 2.774 20 5 FFBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000592544236 520452027 /nfs/dbraw/zinc/45/20/27/520452027.db2.gz ASRGXDDAWDFQNQ-PWSUYJOCSA-N 1 0 355.847 2.551 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2C[C@H]2c2ccc(F)cc2F)c1 ZINC000600761476 520455037 /nfs/dbraw/zinc/45/50/37/520455037.db2.gz ZVEYXXCKODZULE-RPVQJOFSSA-N 1 0 364.348 2.758 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H]3CCCS(=O)(=O)C3)o2)cc1 ZINC000609851548 520457247 /nfs/dbraw/zinc/45/72/47/520457247.db2.gz XPALXWCQTPWJPY-ZDUSSCGKSA-N 1 0 350.396 2.522 20 5 FFBDRO O=C(NCC1([NH+]2CCCC2)CCOCC1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000609875253 520465076 /nfs/dbraw/zinc/46/50/76/520465076.db2.gz IIKSSWSSKJNGDB-UHFFFAOYSA-N 1 0 367.833 2.623 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000604181602 520472042 /nfs/dbraw/zinc/47/20/42/520472042.db2.gz QCLIABISKXYTIK-INIZCTEOSA-N 1 0 361.373 2.775 20 5 FFBDRO Cc1c(NC(=O)CC[NH2+][C@H](CO)[C@H](C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000613388488 520477202 /nfs/dbraw/zinc/47/72/02/520477202.db2.gz AJCAAOPWQGMTND-RDTXWAMCSA-N 1 0 371.437 2.986 20 5 FFBDRO COc1ccc(OCC[NH2+][C@@H](CO)[C@H](C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000613389674 520478738 /nfs/dbraw/zinc/47/87/38/520478738.db2.gz JXXYLMXCJKYPHU-PBHICJAKSA-N 1 0 360.410 2.736 20 5 FFBDRO C[C@@H](c1ccccc1)[C@@H](CO)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000613388742 520479129 /nfs/dbraw/zinc/47/91/29/520479129.db2.gz FBBFKKBYURCNED-WMLDXEAASA-N 1 0 357.410 2.678 20 5 FFBDRO C[C@H](c1ccccc1)[C@@H](CO)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000613388741 520479195 /nfs/dbraw/zinc/47/91/95/520479195.db2.gz FBBFKKBYURCNED-RHSMWYFYSA-N 1 0 357.410 2.678 20 5 FFBDRO C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000598195617 520487571 /nfs/dbraw/zinc/48/75/71/520487571.db2.gz PRQWSXNOSRQUGZ-FQEVSTJZSA-N 1 0 367.449 2.913 20 5 FFBDRO CCOc1cc(N2CC[NH+](Cc3cccc(N)c3)CC2)ccc1[N+](=O)[O-] ZINC000595465032 520489627 /nfs/dbraw/zinc/48/96/27/520489627.db2.gz MKIOWHWQOYOWOP-UHFFFAOYSA-N 1 0 356.426 2.898 20 5 FFBDRO C[N@@H+]1CC[C@]2(C1)CCCN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000595504255 520514264 /nfs/dbraw/zinc/51/42/64/520514264.db2.gz HIYDEAJGCBBYOG-KRWDZBQOSA-N 1 0 366.849 2.604 20 5 FFBDRO Cc1c(CNC(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)cccc1[N+](=O)[O-] ZINC000595587590 520573722 /nfs/dbraw/zinc/57/37/22/520573722.db2.gz ISLGWUJXOXTERN-MRXNPFEDSA-N 1 0 360.458 2.824 20 5 FFBDRO CCCN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C)C1 ZINC000592828328 520604656 /nfs/dbraw/zinc/60/46/56/520604656.db2.gz GPQJXCWXHNAAEU-CYBMUJFWSA-N 1 0 370.247 2.914 20 5 FFBDRO COc1cc(NCC[NH+]2CCN(c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000610273057 520616265 /nfs/dbraw/zinc/61/62/65/520616265.db2.gz BESLJMNSQYQPBC-UHFFFAOYSA-N 1 0 356.426 2.838 20 5 FFBDRO Cc1n[nH]c(C(=O)N(C(C)C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000592873667 520626913 /nfs/dbraw/zinc/62/69/13/520626913.db2.gz QGBMVNAQZXQKAX-INIZCTEOSA-N 1 0 371.441 2.751 20 5 FFBDRO Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000592879658 520630338 /nfs/dbraw/zinc/63/03/38/520630338.db2.gz BCVLQJWNLTUVDM-MSOLQXFVSA-N 1 0 353.422 2.978 20 5 FFBDRO O=[N+]([O-])c1ccc2nccc(NCC3([NH+]4CCCC4)CCOCC3)c2c1 ZINC000601115009 520643562 /nfs/dbraw/zinc/64/35/62/520643562.db2.gz XJJFKTIENMMIOR-UHFFFAOYSA-N 1 0 356.426 2.622 20 5 FFBDRO O=[N+]([O-])c1ccsc1NCc1ccc(CN2CCS(=O)CC2)cc1 ZINC000601178731 520673873 /nfs/dbraw/zinc/67/38/73/520673873.db2.gz YCQUPIWCOWOHQM-UHFFFAOYSA-N 1 0 365.480 2.833 20 5 FFBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2c(F)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC000601183150 520675805 /nfs/dbraw/zinc/67/58/05/520675805.db2.gz AGGBSJPQMMNTLM-HIFRSBDPSA-N 1 0 367.421 2.601 20 5 FFBDRO Cc1cc(C(=O)N2CC3(CCCC3)OC[C@@H]2C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000598536605 520688038 /nfs/dbraw/zinc/68/80/38/520688038.db2.gz UBNZTIFZKVRDQT-INIZCTEOSA-N 1 0 361.442 2.619 20 5 FFBDRO CCOc1ccc(C(=O)NCC2CC[NH+](CC3CC3)CC2)cc1[N+](=O)[O-] ZINC000598537630 520689835 /nfs/dbraw/zinc/68/98/35/520689835.db2.gz KKSXYLOGHYYDGM-UHFFFAOYSA-N 1 0 361.442 2.845 20 5 FFBDRO C[C@H]1Cc2ccccc2N1C1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000610447535 520690705 /nfs/dbraw/zinc/69/07/05/520690705.db2.gz JLFUWJPVFBWVNR-HNNXBMFYSA-N 1 0 355.442 2.707 20 5 FFBDRO CC1([NH+]2CCCC2)CCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC1 ZINC000601215900 520691967 /nfs/dbraw/zinc/69/19/67/520691967.db2.gz HKCCBIPSFYJEMD-UHFFFAOYSA-N 1 0 357.414 2.698 20 5 FFBDRO COc1cc(C[N@@H+]2CCC[C@@H]2[C@@H](C)O)c([N+](=O)[O-])cc1OCC(F)F ZINC000595767160 520709699 /nfs/dbraw/zinc/70/96/99/520709699.db2.gz VRZFMVMECJVGES-ZYHUDNBSSA-N 1 0 360.357 2.593 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H](OC(C)C)C1 ZINC000593055571 520712657 /nfs/dbraw/zinc/71/26/57/520712657.db2.gz LYLMZCJLVFLWBY-HNNXBMFYSA-N 1 0 365.430 2.821 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H]1CCC[C@@H]1Cc1cnn(C)c1 ZINC000595774009 520714981 /nfs/dbraw/zinc/71/49/81/520714981.db2.gz ZAZJKSDKZDDWPT-HZPDHXFCSA-N 1 0 371.441 2.576 20 5 FFBDRO C[C@H]([NH2+][C@H]1CCC[C@H]1Cc1cnn(C)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000595772464 520714994 /nfs/dbraw/zinc/71/49/94/520714994.db2.gz TWFVUIWVYGAMBF-YEWWUXTCSA-N 1 0 371.441 2.656 20 5 FFBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000598574742 520718919 /nfs/dbraw/zinc/71/89/19/520718919.db2.gz STJYGPMKZCWSHR-CQSZACIVSA-N 1 0 370.247 2.736 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@@H]3CCCO3)CC2)cc1C(F)(F)F ZINC000610514219 520724018 /nfs/dbraw/zinc/72/40/18/520724018.db2.gz WRRBCTYWHSPYME-ZDUSSCGKSA-N 1 0 359.348 2.915 20 5 FFBDRO CN(C(=O)C[N@@H+]1CCC[C@H]([C@@H]2CCCCO2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000595788325 520725397 /nfs/dbraw/zinc/72/53/97/520725397.db2.gz JCKGWSIWZNQEEC-YJBOKZPZSA-N 1 0 361.442 2.839 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H](n1cncn1)C(F)(F)F)CCC2 ZINC000601295039 520728470 /nfs/dbraw/zinc/72/84/70/520728470.db2.gz SKYFGYNIQLZPAC-ZIAGYGMSSA-N 1 0 355.320 2.957 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@@H](n1cncn1)C(F)(F)F)CCC2 ZINC000601295038 520729257 /nfs/dbraw/zinc/72/92/57/520729257.db2.gz SKYFGYNIQLZPAC-UONOGXRCSA-N 1 0 355.320 2.957 20 5 FFBDRO COC(=O)c1ccnc(N2CCC[C@H]([NH+]3[C@H](C)CC[C@H]3C)C2)c1[N+](=O)[O-] ZINC000598589286 520729626 /nfs/dbraw/zinc/72/96/26/520729626.db2.gz HQCRZAVVTBZFKD-MCIONIFRSA-N 1 0 362.430 2.618 20 5 FFBDRO C[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCc2ccccc21 ZINC000593089823 520736369 /nfs/dbraw/zinc/73/63/69/520736369.db2.gz FNPKDMTXTORGOH-NVXWUHKLSA-N 1 0 356.422 2.996 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)C[C@H]1C ZINC000598605308 520737664 /nfs/dbraw/zinc/73/76/64/520737664.db2.gz BDQYJAZNMZSWNV-UKRRQHHQSA-N 1 0 369.487 2.705 20 5 FFBDRO COc1ccc(NC(=O)CC[NH+]2CCC(c3ccon3)CC2)c([N+](=O)[O-])c1 ZINC000595829524 520753073 /nfs/dbraw/zinc/75/30/73/520753073.db2.gz VTIVFTAALMHMPC-UHFFFAOYSA-N 1 0 374.397 2.800 20 5 FFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000595900410 520805377 /nfs/dbraw/zinc/80/53/77/520805377.db2.gz FMNXDZBHBZAXHZ-ZBFHGGJFSA-N 1 0 360.458 2.633 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000595901525 520807735 /nfs/dbraw/zinc/80/77/35/520807735.db2.gz XUSNFMDJZDYJQF-INIZCTEOSA-N 1 0 360.458 2.553 20 5 FFBDRO C[C@@H]1C[N@H+](C)[C@H](C)[C@@H](C)N1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000593187555 520811291 /nfs/dbraw/zinc/81/12/91/520811291.db2.gz LSZIVBFEAFPINF-BZUAXINKSA-N 1 0 374.485 2.751 20 5 FFBDRO C[C@H]1CCCN(c2ccc(C(=O)NCC3([NH3+])CCCC3)cc2[N+](=O)[O-])C1 ZINC000595940379 520833610 /nfs/dbraw/zinc/83/36/10/520833610.db2.gz DNZPDOWGCNWHCW-AWEZNQCLSA-N 1 0 360.458 2.832 20 5 FFBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595960486 520837279 /nfs/dbraw/zinc/83/72/79/520837279.db2.gz GFFHXBVWGZYVSX-OAHLLOKOSA-N 1 0 363.483 2.925 20 5 FFBDRO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000601558074 520839297 /nfs/dbraw/zinc/83/92/97/520839297.db2.gz QTYLCIZQCREQKB-GXFFZTMASA-N 1 0 368.231 2.571 20 5 FFBDRO O=C(Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1)c1c(F)cccc1[N+](=O)[O-] ZINC000601589350 520853143 /nfs/dbraw/zinc/85/31/43/520853143.db2.gz BIUMZGQQPBHXCG-CQSZACIVSA-N 1 0 359.357 2.553 20 5 FFBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+][C@@H]1CCO[C@]3(CCSC3)C1)OCCO2 ZINC000610890038 520894996 /nfs/dbraw/zinc/89/49/96/520894996.db2.gz UYMJCDOUVDRAAB-CXAGYDPISA-N 1 0 366.439 2.510 20 5 FFBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+][C@@H]1CCO[C@@]3(CCSC3)C1)OCCO2 ZINC000610890039 520895312 /nfs/dbraw/zinc/89/53/12/520895312.db2.gz UYMJCDOUVDRAAB-DYVFJYSZSA-N 1 0 366.439 2.510 20 5 FFBDRO NC(=O)c1cc(NC2CC[NH+](Cc3ccc(F)cc3)CC2)ccc1[N+](=O)[O-] ZINC000596089386 520905974 /nfs/dbraw/zinc/90/59/74/520905974.db2.gz ZENSVSLXIPTJPU-UHFFFAOYSA-N 1 0 372.400 2.909 20 5 FFBDRO CCC1([NH+](C)C)CCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000601792261 520954552 /nfs/dbraw/zinc/95/45/52/520954552.db2.gz UBTIUQAQTSVVBQ-UHFFFAOYSA-N 1 0 371.441 2.727 20 5 FFBDRO C[NH+](C)[C@H](CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000593392192 520960532 /nfs/dbraw/zinc/96/05/32/520960532.db2.gz PVZSXLRWVFRKRJ-KRWDZBQOSA-N 1 0 359.401 2.566 20 5 FFBDRO O=c1[nH]ccc(NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000596209488 520972246 /nfs/dbraw/zinc/97/22/46/520972246.db2.gz FTPPQHSNKYVEQU-CQSZACIVSA-N 1 0 360.439 2.725 20 5 FFBDRO CC(C)C[N@H+](C)CCCNC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000593424513 520985420 /nfs/dbraw/zinc/98/54/20/520985420.db2.gz IROSTFNJZHFUJY-UHFFFAOYSA-N 1 0 350.463 2.757 20 5 FFBDRO COC(=O)c1c(Cl)c(N2CC[C@]3(C2)CCC[N@H+](C)C3)ccc1[N+](=O)[O-] ZINC000596243052 520990136 /nfs/dbraw/zinc/99/01/36/520990136.db2.gz FONXUZCBHQCNJP-QGZVFWFLSA-N 1 0 367.833 2.957 20 5 FFBDRO C[N@@H+]1CCCC[C@H]1CN1CCN(c2ccc3cnccc3c2[N+](=O)[O-])CC1 ZINC000599042143 520995664 /nfs/dbraw/zinc/99/56/64/520995664.db2.gz KLHBYBLYIUUXCR-KRWDZBQOSA-N 1 0 369.469 2.749 20 5 FFBDRO C[C@H](Nc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)C1CC[NH+](C)CC1 ZINC000599044246 520996446 /nfs/dbraw/zinc/99/64/46/520996446.db2.gz NWARCOKYFWTVRN-AWEZNQCLSA-N 1 0 360.458 2.973 20 5 FFBDRO Cc1cc(N[C@@H]2CC[N@H+](CC3CC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000611132472 521002211 /nfs/dbraw/zinc/00/22/11/521002211.db2.gz PAPQNGNETBUGSL-MRXNPFEDSA-N 1 0 353.426 2.678 20 5 FFBDRO CC[N@@H+]1CCCN(c2ncc([N+](=O)[O-])c(C)c2Br)[C@H](C)C1 ZINC000596268490 521002293 /nfs/dbraw/zinc/00/22/93/521002293.db2.gz ITIDUJXLGWESSE-SNVBAGLBSA-N 1 0 357.252 2.981 20 5 FFBDRO CC[N@@H+]1CCCN(c2ncc([N+](=O)[O-])c(C)c2Br)[C@@H](C)C1 ZINC000596268483 521002905 /nfs/dbraw/zinc/00/29/05/521002905.db2.gz ITIDUJXLGWESSE-JTQLQIEISA-N 1 0 357.252 2.981 20 5 FFBDRO C[C@@H]1C[NH+](C[C@@H]2CCCN2c2ncnc3ccc([N+](=O)[O-])cc32)C[C@@H](C)O1 ZINC000614517845 521005447 /nfs/dbraw/zinc/00/54/47/521005447.db2.gz BWTBAAPNIBTWLK-FMKPAKJESA-N 1 0 371.441 2.616 20 5 FFBDRO C[C@H]1CN(c2ccc3cnccc3c2[N+](=O)[O-])CC[C@H]1[NH+]1CCN(C)CC1 ZINC000599064216 521008919 /nfs/dbraw/zinc/00/89/19/521008919.db2.gz LDCUISGQIHRWAT-MAUKXSAKSA-N 1 0 369.469 2.605 20 5 FFBDRO C[NH+](C)Cc1cc(CNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])ccc1F ZINC000593471381 521014611 /nfs/dbraw/zinc/01/46/11/521014611.db2.gz WPMQDYZMZCHRBE-UHFFFAOYSA-N 1 0 363.364 2.794 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(N(C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000614533760 521015544 /nfs/dbraw/zinc/01/55/44/521015544.db2.gz YBVUCQORRODMRE-HXUWFJFHSA-N 1 0 371.437 2.677 20 5 FFBDRO CN1C(=O)c2ccccc2[C@@H]1C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000599075056 521018461 /nfs/dbraw/zinc/01/84/61/521018461.db2.gz ROLHBGFIPBVTTK-IKGGRYGDSA-N 1 0 369.425 2.692 20 5 FFBDRO Cn1c(=O)oc2ccc(C[NH2+][C@@H]3CCCC[C@@H]3n3ccc([N+](=O)[O-])n3)cc21 ZINC000599078624 521019205 /nfs/dbraw/zinc/01/92/05/521019205.db2.gz DNAFALVVGJAYCM-KGLIPLIRSA-N 1 0 371.397 2.510 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)nc1-c1ccccc1 ZINC000611181817 521027564 /nfs/dbraw/zinc/02/75/64/521027564.db2.gz KRISLMSWIFWTGK-AEFFLSMTSA-N 1 0 368.437 2.692 20 5 FFBDRO Cc1cc(N2CCO[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]32)ncc1[N+](=O)[O-] ZINC000593496677 521033820 /nfs/dbraw/zinc/03/38/20/521033820.db2.gz VRLFQICXLHGHHM-RTBURBONSA-N 1 0 368.437 2.778 20 5 FFBDRO [NH3+]C[C@H]1CCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c2ccccc21 ZINC000601963034 521044682 /nfs/dbraw/zinc/04/46/82/521044682.db2.gz JFAYDDWPNKYCKD-KUHUBIRLSA-N 1 0 366.421 2.653 20 5 FFBDRO Cn1ccnc1[C@H](N[C@H]1CC[NH2+]CC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000602019705 521081895 /nfs/dbraw/zinc/08/18/95/521081895.db2.gz GGGXVWHLYIFEHT-DOTOQJQBSA-N 1 0 357.458 2.786 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2csc(N3CCC([N@@H+]4CC[C@@H](O)C4)CC3)n2)cc1 ZINC000596539288 521122550 /nfs/dbraw/zinc/12/25/50/521122550.db2.gz OBZXUJRICGASOG-MRXNPFEDSA-N 1 0 374.466 2.754 20 5 FFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCN2Cc3ccccc3C2)n1 ZINC000618567160 521128455 /nfs/dbraw/zinc/12/84/55/521128455.db2.gz ZCAKHCZQITWCOS-ROUUACIJSA-N 1 0 355.442 2.880 20 5 FFBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])C12CCC[NH+](CCC1)C2 ZINC000602144681 521170294 /nfs/dbraw/zinc/17/02/94/521170294.db2.gz NTASLEOFMRHXFD-UHFFFAOYSA-N 1 0 351.834 2.783 20 5 FFBDRO CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CC[NH+]1CCCCC1 ZINC000593757460 521197633 /nfs/dbraw/zinc/19/76/33/521197633.db2.gz MZNPWAYPRJQKJM-UHFFFAOYSA-N 1 0 358.446 2.795 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)c1C ZINC000599464894 521240695 /nfs/dbraw/zinc/24/06/95/521240695.db2.gz WKMOKMFIGPXKFN-HNNXBMFYSA-N 1 0 367.471 2.507 20 5 FFBDRO C[N@@H+]1CCC[C@H](NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])C1 ZINC000618829905 521254605 /nfs/dbraw/zinc/25/46/05/521254605.db2.gz TWZMIRCQNHBZOS-INIZCTEOSA-N 1 0 369.421 2.998 20 5 FFBDRO COCCC1CC[NH+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000599507523 521266536 /nfs/dbraw/zinc/26/65/36/521266536.db2.gz YBBLSPZCPLTFLT-UHFFFAOYSA-N 1 0 365.430 2.681 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000593910658 521285601 /nfs/dbraw/zinc/28/56/01/521285601.db2.gz AQYDYARWWLWABZ-HDMKZQKVSA-N 1 0 361.442 2.570 20 5 FFBDRO C[C@H]1CCCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)[C@H]1CC[NH3+] ZINC000593916827 521290922 /nfs/dbraw/zinc/29/09/22/521290922.db2.gz SCQMYPQFLQGMLZ-RDJZCZTQSA-N 1 0 374.485 2.787 20 5 FFBDRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000593920153 521292447 /nfs/dbraw/zinc/29/24/47/521292447.db2.gz YKNBVUYGEUCHJJ-RLCCDNCMSA-N 1 0 367.833 2.749 20 5 FFBDRO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000599604856 521327892 /nfs/dbraw/zinc/32/78/92/521327892.db2.gz UDADVCKIWHXUSU-GFCCVEGCSA-N 1 0 369.219 2.763 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000596864839 521338807 /nfs/dbraw/zinc/33/88/07/521338807.db2.gz ATVCDSVVXUSUOO-HNNXBMFYSA-N 1 0 365.478 2.605 20 5 FFBDRO C[C@@H](CCNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)[NH+](C)C ZINC000596900571 521367330 /nfs/dbraw/zinc/36/73/30/521367330.db2.gz QNNGQPWDGLRXBF-VIFPVBQESA-N 1 0 359.224 2.819 20 5 FFBDRO O=C(c1c(Br)cccc1[N+](=O)[O-])N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000602490684 521376688 /nfs/dbraw/zinc/37/66/88/521376688.db2.gz FMADBRWZDBVHJV-HNNXBMFYSA-N 1 0 368.231 2.573 20 5 FFBDRO Cc1ccc(OCC[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1 ZINC000602502081 521381815 /nfs/dbraw/zinc/38/18/15/521381815.db2.gz KWCUFOWKQZOIAR-UHFFFAOYSA-N 1 0 356.426 2.936 20 5 FFBDRO COc1nc(C)cc(C)c1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602533625 521398663 /nfs/dbraw/zinc/39/86/63/521398663.db2.gz PBYGEQLONMVPRL-UHFFFAOYSA-N 1 0 371.441 2.769 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3COc4ccccc4C3)CC2)cn1 ZINC000602532318 521398767 /nfs/dbraw/zinc/39/87/67/521398767.db2.gz FHKJFDDNMMUXJL-INIZCTEOSA-N 1 0 354.410 2.552 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C)c1cnccc1C ZINC000611939226 521401310 /nfs/dbraw/zinc/40/13/10/521401310.db2.gz PKEFYGHXFRFDQG-ZDUSSCGKSA-N 1 0 358.398 2.986 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1cnccc1C ZINC000611940221 521403441 /nfs/dbraw/zinc/40/34/41/521403441.db2.gz ZXDNTADRCHMARV-STQMWFEESA-N 1 0 358.398 2.985 20 5 FFBDRO O=C(CCc1ccccc1)N1CC[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000602570160 521415302 /nfs/dbraw/zinc/41/53/02/521415302.db2.gz VWTCEQVVAHFPOR-IBGZPJMESA-N 1 0 367.449 2.961 20 5 FFBDRO O=C(CCc1ccccc1)N1CC[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000602570161 521415618 /nfs/dbraw/zinc/41/56/18/521415618.db2.gz VWTCEQVVAHFPOR-LJQANCHMSA-N 1 0 367.449 2.961 20 5 FFBDRO O=[N+]([O-])c1ccc2oc(C[NH2+][C@@H]3CCN(c4ncccc4F)C3)nc2c1 ZINC000602576513 521418774 /nfs/dbraw/zinc/41/87/74/521418774.db2.gz ONKVFADUFRMUDS-LLVKDONJSA-N 1 0 357.345 2.639 20 5 FFBDRO CN(C)[C@@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccccc1 ZINC000602585671 521425802 /nfs/dbraw/zinc/42/58/02/521425802.db2.gz HATDWYHERVFVPX-IBGZPJMESA-N 1 0 369.469 2.851 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H](CCO)c3ccccc3F)CC2)cn1 ZINC000602697399 521483200 /nfs/dbraw/zinc/48/32/00/521483200.db2.gz PKZNUYHEHYAJPW-SFHVURJKSA-N 1 0 374.416 2.811 20 5 FFBDRO O=C1CC[C@H]2C[N@H+](Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC[C@@H]2N1 ZINC000602711486 521491099 /nfs/dbraw/zinc/49/10/99/521491099.db2.gz ZUNYBYNPPIJPIX-GWCFXTLKSA-N 1 0 357.332 2.714 20 5 FFBDRO O=C(Nc1ccc([N+](=O)[O-])c2ccncc12)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000599829931 521497729 /nfs/dbraw/zinc/49/77/29/521497729.db2.gz NNAWWWYMZZNRQA-CYBMUJFWSA-N 1 0 355.398 2.845 20 5 FFBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)Nc3ccc([N+](=O)[O-])c4ccncc34)[C@H]2C1 ZINC000599832686 521501651 /nfs/dbraw/zinc/50/16/51/521501651.db2.gz IGUABJJKGAPLAH-SJCJKPOMSA-N 1 0 355.398 2.701 20 5 FFBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597105241 521509109 /nfs/dbraw/zinc/50/91/09/521509109.db2.gz XQCSRDCYONOJOJ-NSHDSACASA-N 1 0 355.826 2.826 20 5 FFBDRO C[N@H+](CCNC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N)C1CCCC1 ZINC000597105837 521510548 /nfs/dbraw/zinc/51/05/48/521510548.db2.gz YHLHMRXPZDSMOS-UHFFFAOYSA-N 1 0 355.826 2.826 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000602792261 521535073 /nfs/dbraw/zinc/53/50/73/521535073.db2.gz NEQFHQRVMYQWNT-UHFFFAOYSA-N 1 0 354.414 2.856 20 5 FFBDRO Cn1cc(C[NH2+]C(C)(C)COc2ccc(C(F)(F)F)cn2)c([N+](=O)[O-])n1 ZINC000602802183 521542726 /nfs/dbraw/zinc/54/27/26/521542726.db2.gz OXDNDBLEILUIBN-UHFFFAOYSA-N 1 0 373.335 2.689 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CC[C@H](Cn4ccnn4)C3)o2)c1 ZINC000597173757 521555998 /nfs/dbraw/zinc/55/59/98/521555998.db2.gz IPGBFOTUEVUHNF-AWEZNQCLSA-N 1 0 353.382 2.968 20 5 FFBDRO O=C(N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1ccc([N+](=O)[O-])[nH]1 ZINC000612285763 521560452 /nfs/dbraw/zinc/56/04/52/521560452.db2.gz DKJIIUWXJVTFSL-YESZJQIVSA-N 1 0 368.437 2.953 20 5 FFBDRO COc1c(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cccc1[N+](=O)[O-] ZINC000619440576 521568756 /nfs/dbraw/zinc/56/87/56/521568756.db2.gz HPWOAFFYUJKXSC-XJKSGUPXSA-N 1 0 359.426 2.692 20 5 FFBDRO Cc1ccc(Sc2ccc(C[NH2+]C[C@@](C)(O)CO)cc2[N+](=O)[O-])cc1 ZINC000619464300 521582883 /nfs/dbraw/zinc/58/28/83/521582883.db2.gz PGMWLCUJQUKBSO-GOSISDBHSA-N 1 0 362.451 2.887 20 5 FFBDRO Nc1cc(NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)cc(CO)c1[N+](=O)[O-] ZINC000619570506 521775341 /nfs/dbraw/zinc/77/53/41/521775341.db2.gz LIPOJXBUXCBEOY-INIZCTEOSA-N 1 0 370.453 2.646 20 5 FFBDRO C[NH+]1CCN(CCCNc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1 ZINC000535594617 562562184 /nfs/dbraw/zinc/56/21/84/562562184.db2.gz QVAOIICPGKMJBO-UHFFFAOYSA-N 1 0 355.442 2.706 20 5 FFBDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1-c1nn[nH]n1 ZINC000821805615 606485236 /nfs/dbraw/zinc/48/52/36/606485236.db2.gz VMGBJPSCSFXSCI-LBPRGKRZSA-N 1 0 368.397 2.943 20 5 FFBDRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000826184226 608468888 /nfs/dbraw/zinc/46/88/88/608468888.db2.gz PDOJKXRGAWEUGF-LLVKDONJSA-N 1 0 354.370 2.634 20 5 FFBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824607568 609154902 /nfs/dbraw/zinc/15/49/02/609154902.db2.gz ZZGBIKVMQDFVCV-LLVKDONJSA-N 1 0 356.361 2.807 20 5 FFBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccc(-c2nn[nH]n2)cc1F ZINC000824605126 609337086 /nfs/dbraw/zinc/33/70/86/609337086.db2.gz FRLNDHKEMXIDEV-LLVKDONJSA-N 1 0 356.361 2.807 20 5 FFBDRO Clc1ccc2ccc3ccc(N4CCN5CC[NH2+]C[C@@H]5C4)nc3c2n1 ZINC001164398408 718834631 /nfs/dbraw/zinc/83/46/31/718834631.db2.gz FPDVPLOBDZLTCJ-OAHLLOKOSA-N 1 0 353.857 2.530 20 5 FFBDRO Cc1nc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)ncc1[N+](=O)[O-] ZINC001164631593 719108378 /nfs/dbraw/zinc/10/83/78/719108378.db2.gz YRCOQKILAOWBTJ-SJLPKXTDSA-N 1 0 353.426 2.794 20 5 FFBDRO CC(C)[N@H+]1[C@@H]2CCN(c3cc([N+](=O)[O-])ccn3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164837833 720509520 /nfs/dbraw/zinc/50/95/20/720509520.db2.gz PNZQHSILARIZJG-RYQLBKOJSA-N 1 0 370.457 2.564 20 5 FFBDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ncc([N+](=O)[O-])cc1F)[C@H]2C ZINC001164859284 720948836 /nfs/dbraw/zinc/94/88/36/720948836.db2.gz MASUJKRNPBEQDY-LBPRGKRZSA-N 1 0 362.409 2.747 20 5 FFBDRO Cc1cc(N2CC[NH+](C[C@H]3CCCO3)CC2)nc2ccc([N+](=O)[O-])cc12 ZINC001165040097 721904770 /nfs/dbraw/zinc/90/47/70/721904770.db2.gz XZOWFMMOJXBRCR-MRXNPFEDSA-N 1 0 356.426 2.752 20 5 FFBDRO COC(=O)CC[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C[C@@H]1CCCO1 ZINC000153941716 728791995 /nfs/dbraw/zinc/79/19/95/728791995.db2.gz LFHPQTPBEBOXKM-ZDUSSCGKSA-N 1 0 356.806 2.792 20 5 FFBDRO CC[NH+](CC)C[C@H]1CCN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000744420427 735353402 /nfs/dbraw/zinc/35/34/02/735353402.db2.gz QYMORAOLBCSZMP-CYBMUJFWSA-N 1 0 368.865 2.850 20 5 FFBDRO Cc1cc(NC2CC[NH+](CCC(=O)N(C)C)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000747217334 735544206 /nfs/dbraw/zinc/54/42/06/735544206.db2.gz AQMNZEFEYVDAPN-UHFFFAOYSA-N 1 0 368.865 2.911 20 5 FFBDRO CC(C)C[C@@H]1COCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000128646198 728709248 /nfs/dbraw/zinc/70/92/48/728709248.db2.gz LRXUISGRCGMSAP-CQSZACIVSA-N 1 0 353.394 2.809 20 5 FFBDRO CN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)C1CCC([NH3+])CC1 ZINC000165957895 728975019 /nfs/dbraw/zinc/97/50/19/728975019.db2.gz FFRMDCKKVRXSGX-UHFFFAOYSA-N 1 0 356.220 2.699 20 5 FFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000170914837 728992002 /nfs/dbraw/zinc/99/20/02/728992002.db2.gz SFGGATKKRHPTTQ-CQSZACIVSA-N 1 0 350.415 2.967 20 5 FFBDRO CS(=O)(=O)N1CC(C[NH2+]Cc2c3ccccc3cc3ccccc32)C1 ZINC000189710485 729401543 /nfs/dbraw/zinc/40/15/43/729401543.db2.gz BCIFUTQTNQMIPE-UHFFFAOYSA-N 1 0 354.475 2.974 20 5 FFBDRO COc1cc(C[N@H+](C)CCCNC(=O)OC(C)(C)C)ccc1[N+](=O)[O-] ZINC000778947682 738423678 /nfs/dbraw/zinc/42/36/78/738423678.db2.gz YJKGTSCQTOZQBN-UHFFFAOYSA-N 1 0 353.419 2.950 20 5 FFBDRO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000906201146 736469345 /nfs/dbraw/zinc/46/93/45/736469345.db2.gz WDHAYHSLORBKRU-HZPDHXFCSA-N 1 0 351.834 2.924 20 5 FFBDRO O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000424029100 729862087 /nfs/dbraw/zinc/86/20/87/729862087.db2.gz OXQFZQWSWIOQPY-KRWDZBQOSA-N 1 0 358.423 2.686 20 5 FFBDRO CC[NH+](CC)CC[C@H](CO)Nc1cccc(Br)c1[N+](=O)[O-] ZINC000856749628 730354377 /nfs/dbraw/zinc/35/43/77/730354377.db2.gz WHKLQXCPAXNHIB-LLVKDONJSA-N 1 0 360.252 2.862 20 5 FFBDRO CC1([NH+]2CCOCC2)CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000862961195 730737799 /nfs/dbraw/zinc/73/77/99/730737799.db2.gz VEIPAWOVVBEPDY-UHFFFAOYSA-N 1 0 367.833 2.575 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)C2CC[NH+](C(C)C)CC2)cc1F ZINC000866453729 731061786 /nfs/dbraw/zinc/06/17/86/731061786.db2.gz STZIHDVJZRPTJI-UHFFFAOYSA-N 1 0 373.450 2.536 20 5 FFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1CC2(CO1)CCOCC2 ZINC000866535703 731071851 /nfs/dbraw/zinc/07/18/51/731071851.db2.gz WMLQECWIGYXMNP-BBRMVZONSA-N 1 0 352.406 2.840 20 5 FFBDRO CCNC(=O)N1CC[C@@H]([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2SC)C1 ZINC000872047415 731724010 /nfs/dbraw/zinc/72/40/10/731724010.db2.gz BNDKTCBEVRLRPZ-VXGBXAGGSA-N 1 0 352.460 2.771 20 5 FFBDRO CCS(=O)(=O)C1(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2SC)CC1 ZINC000872087572 731728180 /nfs/dbraw/zinc/72/81/80/731728180.db2.gz FHHNQMYPQFLYFA-LLVKDONJSA-N 1 0 358.485 2.935 20 5 FFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000872120256 731731666 /nfs/dbraw/zinc/73/16/66/731731666.db2.gz PXRSGAFOORSEJV-YTTRVJOFSA-N 1 0 366.483 2.861 20 5 FFBDRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000874834508 732105547 /nfs/dbraw/zinc/10/55/47/732105547.db2.gz SFXIXUGLQUEWHR-KGLIPLIRSA-N 1 0 357.332 2.922 20 5 FFBDRO O=C(N[C@H]1CC[NH2+]C12CCC2)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000877003778 732310293 /nfs/dbraw/zinc/31/02/93/732310293.db2.gz YQGMJGJFBTZEJX-NSHDSACASA-N 1 0 372.194 2.511 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000877018087 732312994 /nfs/dbraw/zinc/31/29/94/732312994.db2.gz KTUZSQWPEMNRSA-NWDGAFQWSA-N 1 0 359.348 2.811 20 5 FFBDRO COC[C@@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)c1ccc(F)c(F)c1 ZINC000877132868 732327594 /nfs/dbraw/zinc/32/75/94/732327594.db2.gz PIYCORBXDCVQHG-ZEPSKSRBSA-N 1 0 352.341 2.750 20 5 FFBDRO O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877282593 732340264 /nfs/dbraw/zinc/34/02/64/732340264.db2.gz RVUHWQOURBOLMU-UKRRQHHQSA-N 1 0 358.423 2.685 20 5 FFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000877366705 732352623 /nfs/dbraw/zinc/35/26/23/732352623.db2.gz AHJOMJIOOXLRGW-KWQFWETISA-N 1 0 363.361 2.526 20 5 FFBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H](O)c1cc(Br)no1 ZINC000878566166 732555323 /nfs/dbraw/zinc/55/53/23/732555323.db2.gz UAGUEQKUUABRCZ-GFCCVEGCSA-N 1 0 370.203 2.553 20 5 FFBDRO CN(Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C[C@H]1CCC[N@@H+]1C ZINC000878722348 732583179 /nfs/dbraw/zinc/58/31/79/732583179.db2.gz FABKEAWCTBGHNL-GFCCVEGCSA-N 1 0 365.821 2.824 20 5 FFBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@H]3CSC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000879560978 732723111 /nfs/dbraw/zinc/72/31/11/732723111.db2.gz JSVSCEVMOKQDBT-STQMWFEESA-N 1 0 365.455 2.617 20 5 FFBDRO Cc1csc([C@@H]2CC[N@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000880005890 732817324 /nfs/dbraw/zinc/81/73/24/732817324.db2.gz DSSVFENLICQCFG-UKRRQHHQSA-N 1 0 363.439 2.589 20 5 FFBDRO CC(C)(C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)CS(C)(=O)=O ZINC000926953869 738672884 /nfs/dbraw/zinc/67/28/84/738672884.db2.gz PLOTXWVFWLDAGC-HNNXBMFYSA-N 1 0 354.472 2.576 20 5 FFBDRO Cc1ccccc1[C@H](CO)[NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000782083216 738687134 /nfs/dbraw/zinc/68/71/34/738687134.db2.gz SCWZRJAFDDVYPC-HNNXBMFYSA-N 1 0 363.801 2.818 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CC[C@H]1CCCS1(=O)=O)CCCC2 ZINC000883309154 733367022 /nfs/dbraw/zinc/36/70/22/733367022.db2.gz FVAPBQWGJDZLNG-WBVHZDCISA-N 1 0 352.456 2.919 20 5 FFBDRO O=C(CN1CCCC[C@@]2(CC[NH2+]C2)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000886865571 733850902 /nfs/dbraw/zinc/85/09/02/733850902.db2.gz OGRFAWRWBVJCOQ-KRWDZBQOSA-N 1 0 366.849 2.652 20 5 FFBDRO CCOc1cc(NC(=O)NCC[C@H]2CCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000888831787 734103365 /nfs/dbraw/zinc/10/33/65/734103365.db2.gz PJTQVCNWQILEFM-CYBMUJFWSA-N 1 0 350.419 2.847 20 5 FFBDRO C[C@H]1CN(Cc2ccc([N+](=O)[O-])c(Cl)c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000783573755 738815970 /nfs/dbraw/zinc/81/59/70/738815970.db2.gz KUOJVRXBYGLFIX-WMLDXEAASA-N 1 0 366.893 2.706 20 5 FFBDRO CC1(C)C[NH2+]CC[C@H](NC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000891668385 734459908 /nfs/dbraw/zinc/45/99/08/734459908.db2.gz MYNRCPQEXWVJBR-LBPRGKRZSA-N 1 0 354.838 2.826 20 5 FFBDRO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000733159368 734794376 /nfs/dbraw/zinc/79/43/76/734794376.db2.gz PEFOXDUOLAGIBO-CQSZACIVSA-N 1 0 367.833 2.621 20 5 FFBDRO COc1c(O)ccc(C[N@@H+]2CC3(CCOCC3)[C@@H]2C(C)C)c1[N+](=O)[O-] ZINC000894919507 734936936 /nfs/dbraw/zinc/93/69/36/734936936.db2.gz IQPAOBBOLCVZGB-KRWDZBQOSA-N 1 0 350.415 2.946 20 5 FFBDRO C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000895278163 734985747 /nfs/dbraw/zinc/98/57/47/734985747.db2.gz HYAUGPWRINPLHB-LBPRGKRZSA-N 1 0 360.801 2.994 20 5 FFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH+]1CCC2(CC1)COCCO2 ZINC000895701279 735042222 /nfs/dbraw/zinc/04/22/22/735042222.db2.gz ZLHCVTOFNCBHBD-UHFFFAOYSA-N 1 0 360.332 2.995 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CCC([NH2+]C2CCOCC2)CC1 ZINC000896036843 735091476 /nfs/dbraw/zinc/09/14/76/735091476.db2.gz XIGMFTBYUGMEHE-UHFFFAOYSA-N 1 0 353.850 2.981 20 5 FFBDRO CC[C@@H](C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[NH+](CC)CC ZINC000741032815 735111854 /nfs/dbraw/zinc/11/18/54/735111854.db2.gz NMTOXKJDPRKZBA-AWEZNQCLSA-N 1 0 371.821 2.850 20 5 FFBDRO C[C@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)N1CCc2sccc2C1 ZINC000749674363 735737520 /nfs/dbraw/zinc/73/75/20/735737520.db2.gz WYIKVPUZHAZKJM-CXAGYDPISA-N 1 0 361.467 2.726 20 5 FFBDRO C[C@@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000750992103 735834335 /nfs/dbraw/zinc/83/43/35/735834335.db2.gz YMVFJIRRWCCSSL-NSHDSACASA-N 1 0 370.247 2.962 20 5 FFBDRO C[C@@H]([NH2+]CCNC(=O)c1ccccc1Cl)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788639472 739266877 /nfs/dbraw/zinc/26/68/77/739266877.db2.gz OVMMAUWWQDHWGI-LLVKDONJSA-N 1 0 362.817 2.911 20 5 FFBDRO COc1cc([C@H](C)[NH2+][C@@H]2CCC[C@H](S(C)(=O)=O)C2)cc([N+](=O)[O-])c1 ZINC000903120901 736034962 /nfs/dbraw/zinc/03/49/62/736034962.db2.gz PBMBPCFSWNSSJX-GHJWDPDVSA-N 1 0 356.444 2.610 20 5 FFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC1CCC(S(C)(=O)=O)CC1 ZINC000903149533 736041413 /nfs/dbraw/zinc/04/14/13/736041413.db2.gz FFBXGTQDJWPTRK-VEAWUBTESA-N 1 0 372.462 2.858 20 5 FFBDRO COc1cc([C@@H](C)[NH2+]C2CCC(CS(C)(=O)=O)CC2)cc([N+](=O)[O-])c1 ZINC000903177655 736049629 /nfs/dbraw/zinc/04/96/29/736049629.db2.gz QSNRLDMMCWGNRK-DNOWBOINSA-N 1 0 370.471 2.857 20 5 FFBDRO C[C@@H]1C[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CC[N@@H+]1C ZINC000755012016 736226488 /nfs/dbraw/zinc/22/64/88/736226488.db2.gz CNLUUOPLFUWDBX-PSASIEDQSA-N 1 0 374.210 2.709 20 5 FFBDRO CSC1CCC(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000905508749 736348507 /nfs/dbraw/zinc/34/85/07/736348507.db2.gz KLUAFIZRRKZOBX-SLTAFYQDSA-N 1 0 354.472 2.846 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2CCSC3(CCC3)C2)c1 ZINC000905599848 736367045 /nfs/dbraw/zinc/36/70/45/736367045.db2.gz DMASGIAIRURDTL-UKRRQHHQSA-N 1 0 352.456 2.742 20 5 FFBDRO C[C@H](C[NH2+]C[C@@H](O)COCc1cccs1)c1ccccc1[N+](=O)[O-] ZINC000905641133 736374444 /nfs/dbraw/zinc/37/44/44/736374444.db2.gz AZWLAHQKMDKBJG-ZIAGYGMSSA-N 1 0 350.440 2.927 20 5 FFBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000756952066 736376132 /nfs/dbraw/zinc/37/61/32/736376132.db2.gz QQMGZFGIVCKBIG-LBPRGKRZSA-N 1 0 354.838 2.922 20 5 FFBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000756967372 736378395 /nfs/dbraw/zinc/37/83/95/736378395.db2.gz WMLCUEHUXMKLDT-CHWSQXEVSA-N 1 0 352.822 2.674 20 5 FFBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000757729257 736423034 /nfs/dbraw/zinc/42/30/34/736423034.db2.gz LGXORFYFHCAQOI-MEBBXXQBSA-N 1 0 352.822 2.530 20 5 FFBDRO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1CCC[C@H]([NH+](C)C)CC1 ZINC000758211855 736463365 /nfs/dbraw/zinc/46/33/65/736463365.db2.gz UYCPEFQAHONFDT-LBPRGKRZSA-N 1 0 353.394 2.831 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)C[C@H]1C ZINC000906781221 736542938 /nfs/dbraw/zinc/54/29/38/736542938.db2.gz RKTUBTGYCGCLJC-ZYHUDNBSSA-N 1 0 354.838 2.775 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000906781219 736543063 /nfs/dbraw/zinc/54/30/63/736543063.db2.gz RKTUBTGYCGCLJC-JQWIXIFHSA-N 1 0 354.838 2.775 20 5 FFBDRO CCCC[N@H+](C)CCNC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000760838903 736673213 /nfs/dbraw/zinc/67/32/13/736673213.db2.gz ZUUHIEUZVJZSLZ-UHFFFAOYSA-N 1 0 358.236 2.819 20 5 FFBDRO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)[C@@]12CC[N@H+](C1)CCC2 ZINC000908076191 736713364 /nfs/dbraw/zinc/71/33/64/736713364.db2.gz OFXKTWMAAQJICF-AWEZNQCLSA-N 1 0 354.204 2.782 20 5 FFBDRO CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C[C@@H]1[NH+]1CCCC1 ZINC000763283790 736922865 /nfs/dbraw/zinc/92/28/65/736922865.db2.gz RJCPVGVNBGVRAX-GJZGRUSLSA-N 1 0 369.874 2.900 20 5 FFBDRO CC[N@@H+]1CCCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC000910268758 737050613 /nfs/dbraw/zinc/05/06/13/737050613.db2.gz GUUWYZBXBJADGW-LLVKDONJSA-N 1 0 370.247 2.914 20 5 FFBDRO CC[NH+](CC)[C@H]1CCN(c2cc(Cl)c(C(=O)OC)cc2[N+](=O)[O-])C1 ZINC000765514291 737126941 /nfs/dbraw/zinc/12/69/41/737126941.db2.gz OZMHKBXPOFNPBA-NSHDSACASA-N 1 0 355.822 2.955 20 5 FFBDRO O=C(NC1CC[NH+](C2CCOCC2)CC1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000912347288 737294988 /nfs/dbraw/zinc/29/49/88/737294988.db2.gz PUOKZTBJLMHFRI-UHFFFAOYSA-N 1 0 367.833 2.621 20 5 FFBDRO C[NH+](C)CCC[C@@H]1CN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)CCO1 ZINC000912733209 737335509 /nfs/dbraw/zinc/33/55/09/737335509.db2.gz NPHDJIVEXXLVBG-GFCCVEGCSA-N 1 0 373.812 2.570 20 5 FFBDRO Cc1c(C(=O)OCC[C@H]2CCCC[N@H+]2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000919227913 737845548 /nfs/dbraw/zinc/84/55/48/737845548.db2.gz SLSYHWOGLGAMGQ-GFCCVEGCSA-N 1 0 351.359 2.843 20 5 FFBDRO C[C@H](NC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000922643841 738178684 /nfs/dbraw/zinc/17/86/84/738178684.db2.gz BVYCFPQPSSROPY-MAZHCROVSA-N 1 0 364.471 2.535 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CC3CC4(C3)OCCO4)cs2)c1 ZINC000922800432 738202104 /nfs/dbraw/zinc/20/21/04/738202104.db2.gz PNVMQGOSBGRUKO-UHFFFAOYSA-N 1 0 361.423 2.961 20 5 FFBDRO C[C@@]1(CC[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1(Cl)Cl ZINC000819350816 742380229 /nfs/dbraw/zinc/38/02/29/742380229.db2.gz RURHDKQNLPXGEU-BXUZGUMPSA-N 1 0 363.241 2.898 20 5 FFBDRO CC(C)[N@H+](C)CC1CCN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CC1 ZINC000786776514 739076171 /nfs/dbraw/zinc/07/61/71/739076171.db2.gz PDSWEEMYUSKQQA-UHFFFAOYSA-N 1 0 369.487 2.555 20 5 FFBDRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000930767462 739159934 /nfs/dbraw/zinc/15/99/34/739159934.db2.gz GOKOQHWBMVSXDQ-ZANVPECISA-N 1 0 358.320 2.781 20 5 FFBDRO O=[N+]([O-])c1cccc(Br)c1C[N@@H+]1C[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000930928110 739186649 /nfs/dbraw/zinc/18/66/49/739186649.db2.gz BSLAVDWTXKIFTA-GRYCIOLGSA-N 1 0 355.232 2.950 20 5 FFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@H]([NH+](C)C)[C@H]1C ZINC000931041464 739203174 /nfs/dbraw/zinc/20/31/74/739203174.db2.gz CZBULVRZFYYARL-UEKVPHQBSA-N 1 0 354.838 2.600 20 5 FFBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC(C)([NH+](C)C)CC1 ZINC000931353703 739250157 /nfs/dbraw/zinc/25/01/57/739250157.db2.gz NQGTZRLNAOVPQL-LBPRGKRZSA-N 1 0 368.865 2.991 20 5 FFBDRO C[NH+](C)Cc1ccc(S(=O)(=O)Oc2ccc([N+](=O)[O-])c(F)c2)cc1 ZINC000790013712 739406136 /nfs/dbraw/zinc/40/61/36/739406136.db2.gz CODGNBRWLUKGFO-UHFFFAOYSA-N 1 0 354.359 2.563 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)[C@H](C)C1 ZINC000933437409 739625159 /nfs/dbraw/zinc/62/51/59/739625159.db2.gz CJRZSJOAEAPYBI-BXKDBHETSA-N 1 0 372.828 2.772 20 5 FFBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)C1 ZINC000933769976 739687431 /nfs/dbraw/zinc/68/74/31/739687431.db2.gz DRVPWJYJCKXMAW-SNVBAGLBSA-N 1 0 372.828 2.773 20 5 FFBDRO CCOC(=O)C1([C@@H](C)[NH2+]Cc2c(F)cccc2[N+](=O)[O-])CCOCC1 ZINC000933881937 739700669 /nfs/dbraw/zinc/70/06/69/739700669.db2.gz CWLDPRQURPLWJY-GFCCVEGCSA-N 1 0 354.378 2.572 20 5 FFBDRO Cn1cc([C@@H]2CSCCC[N@@H+]2CCOc2cccc([N+](=O)[O-])c2)cn1 ZINC000933979815 739714567 /nfs/dbraw/zinc/71/45/67/739714567.db2.gz AOQJCLRZWHEPEI-KRWDZBQOSA-N 1 0 362.455 2.887 20 5 FFBDRO CC[N@@H+]1CCC[C@@H]1CNC(=S)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000793309812 739765298 /nfs/dbraw/zinc/76/52/98/739765298.db2.gz RQAWTTOZGGFINA-CYBMUJFWSA-N 1 0 350.488 2.778 20 5 FFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(CN=[S@](C)(=O)N(C)C)CC1 ZINC000934752719 739832236 /nfs/dbraw/zinc/83/22/36/739832236.db2.gz AHQDHAZWIPNOII-PWECECGKSA-N 1 0 368.503 2.942 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@H]2Cc3ccc(Cl)cc3C2)c1 ZINC000800399635 740519223 /nfs/dbraw/zinc/51/92/23/740519223.db2.gz DDDMPRSCWDIGIF-RDJZCZTQSA-N 1 0 362.813 2.745 20 5 FFBDRO Cc1cc(C[NH2+]C2CC3(CC(NC(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)C2)c(C)s1 ZINC000963791231 740656044 /nfs/dbraw/zinc/65/60/44/740656044.db2.gz PPXCGWFXIBGSIA-YVXVDGILSA-N 1 0 363.483 2.547 20 5 FFBDRO C[N@@H+]1CCCC[C@@H]1CCC(=O)OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000803859758 740836016 /nfs/dbraw/zinc/83/60/16/740836016.db2.gz VVZADDDMQXXGAQ-CYBMUJFWSA-N 1 0 351.359 2.811 20 5 FFBDRO O=[N+]([O-])c1cc2c(ncnc2NC2CC[NH+](C[C@H]3CCCO3)CC2)s1 ZINC000804349930 740862964 /nfs/dbraw/zinc/86/29/64/740862964.db2.gz REAXBOGHLPKXJH-GFCCVEGCSA-N 1 0 363.443 2.655 20 5 FFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[N@H+](Cc2cc3ccccc3s2)CC1 ZINC000981137126 741137456 /nfs/dbraw/zinc/13/74/56/741137456.db2.gz NVFRTZSFQYGECG-HZPDHXFCSA-N 1 0 359.451 2.601 20 5 FFBDRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000807924446 741171747 /nfs/dbraw/zinc/17/17/47/741171747.db2.gz ISLNSFFDCQHSDY-GHMZBOCLSA-N 1 0 374.210 2.709 20 5 FFBDRO [NH3+]CCN(Cc1ncc(Br)s1)c1ccc([N+](=O)[O-])cc1 ZINC000809734909 741337906 /nfs/dbraw/zinc/33/79/06/741337906.db2.gz NWYZPRXSYXOUDO-UHFFFAOYSA-N 1 0 357.233 2.779 20 5 FFBDRO CC[NH+](CC)CCNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809804802 741345130 /nfs/dbraw/zinc/34/51/30/741345130.db2.gz IXROOKBORVPHRP-UHFFFAOYSA-N 1 0 370.258 2.522 20 5 FFBDRO C[NH+](C)CCn1cc(NC(=O)Nc2cccc([N+](=O)[O-])c2Cl)cn1 ZINC000809913389 741360205 /nfs/dbraw/zinc/36/02/05/741360205.db2.gz IDLCNYNDNBZNDW-UHFFFAOYSA-N 1 0 352.782 2.650 20 5 FFBDRO C[C@H](COC(=O)c1ccccc1OCC[N@@H+]1CCCC[C@H]1C)[N+](=O)[O-] ZINC000813109034 741677801 /nfs/dbraw/zinc/67/78/01/741677801.db2.gz NRIGLLBQWYLRPM-HUUCEWRRSA-N 1 0 350.415 2.762 20 5 FFBDRO C[C@@H](COC(=O)c1ccccc1OCC[N@@H+]1CCCC[C@@H]1C)[N+](=O)[O-] ZINC000813109033 741677970 /nfs/dbraw/zinc/67/79/70/741677970.db2.gz NRIGLLBQWYLRPM-GJZGRUSLSA-N 1 0 350.415 2.762 20 5 FFBDRO O=C(CNc1cc(Cl)ccc1[N+](=O)[O-])NCC[NH+]1CCCCCC1 ZINC000814262190 741806449 /nfs/dbraw/zinc/80/64/49/741806449.db2.gz MSZRQDKVKOXDAK-UHFFFAOYSA-N 1 0 354.838 2.652 20 5 FFBDRO CN(C)c1cc(F)c(C(=O)OCC[C@H]2CCCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000814482782 741835474 /nfs/dbraw/zinc/83/54/74/741835474.db2.gz ASAFCBILOHHICN-GFCCVEGCSA-N 1 0 353.394 2.831 20 5 FFBDRO CC[C@@H]1C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@H](CC)O1 ZINC000817280322 742116405 /nfs/dbraw/zinc/11/64/05/742116405.db2.gz CQWUJKOHGYTUTN-OKILXGFUSA-N 1 0 353.394 2.952 20 5 FFBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])C[C@H]21 ZINC000818574622 742279864 /nfs/dbraw/zinc/27/98/64/742279864.db2.gz KMVPUKJGYUHTHP-GLXFQSAKSA-N 1 0 355.797 2.516 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCc2csc(N3CCCC3)n2)cc1 ZINC000819069081 742333513 /nfs/dbraw/zinc/33/35/13/742333513.db2.gz STZXNQFJUITHOZ-INIZCTEOSA-N 1 0 362.455 2.517 20 5 FFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H]2CCN(c3ncccc3Cl)C2)c1 ZINC000819155780 742344941 /nfs/dbraw/zinc/34/49/41/742344941.db2.gz XCBUQLRCLOUHJX-BBRMVZONSA-N 1 0 362.817 2.545 20 5 FFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H]2CCOC3(CCSCC3)C2)c1 ZINC000819178952 742348909 /nfs/dbraw/zinc/34/89/09/742348909.db2.gz GOCKYNUKCXZWLC-HOCLYGCPSA-N 1 0 352.456 2.663 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCc2cc(C(F)(F)F)ccn2)cc1 ZINC000819334188 742376584 /nfs/dbraw/zinc/37/65/84/742376584.db2.gz WJMPHEHPTONHFI-HNNXBMFYSA-N 1 0 355.316 2.874 20 5 FFBDRO C[C@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819341594 742378387 /nfs/dbraw/zinc/37/83/87/742378387.db2.gz JXPIPYOYCBYNQV-SLEUVZQESA-N 1 0 353.419 2.520 20 5 FFBDRO C[C@@]1(CC[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1(Cl)Cl ZINC000819347520 742379147 /nfs/dbraw/zinc/37/91/47/742379147.db2.gz CTNAMSYTBOTXQM-TZMCWYRMSA-N 1 0 363.241 2.898 20 5 FFBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)CCc3c(Cl)cccc3[N+](=O)[O-])C2)C1 ZINC000820342968 742493348 /nfs/dbraw/zinc/49/33/48/742493348.db2.gz PEZDIYBOSFDDPO-KRWDZBQOSA-N 1 0 351.834 2.735 20 5 FFBDRO C[N@H+](CCCO)C1CCN(c2cccc(Br)c2[N+](=O)[O-])CC1 ZINC000820664398 742533672 /nfs/dbraw/zinc/53/36/72/742533672.db2.gz MYTXDUSRGJEVNN-UHFFFAOYSA-N 1 0 372.263 2.640 20 5 FFBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)C1 ZINC000822152979 742702931 /nfs/dbraw/zinc/70/29/31/742702931.db2.gz VZSGLPZKJJPSIK-VIFPVBQESA-N 1 0 358.801 2.524 20 5 FFBDRO Cc1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c(Cl)c1 ZINC001034645245 742928642 /nfs/dbraw/zinc/92/86/42/742928642.db2.gz QDUDMOKCTLILIT-KCYZZUKISA-N 1 0 365.861 2.831 20 5 FFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](C2CCOCC2)C2(CO)CCC2)cc1F ZINC000823638418 742952804 /nfs/dbraw/zinc/95/28/04/742952804.db2.gz VXMAYQOBZSXQPT-KRWDZBQOSA-N 1 0 352.406 2.781 20 5 FFBDRO Cn1nccc1[C@@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CCO1 ZINC000825046820 743201173 /nfs/dbraw/zinc/20/11/73/743201173.db2.gz YGWALANRRUUZDW-LRDDRELGSA-N 1 0 350.806 2.992 20 5 FFBDRO CCOC(=O)CC1([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CCOCC1 ZINC000827758133 744972258 /nfs/dbraw/zinc/97/22/58/744972258.db2.gz XQZRVJIKJGGAKF-UHFFFAOYSA-N 1 0 356.806 2.840 20 5 FFBDRO O=C(CC[N@@H+]1CCOC[C@@H]1C1CCC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000830219136 745325412 /nfs/dbraw/zinc/32/54/12/745325412.db2.gz HVXQPZBGKSZOSF-MRXNPFEDSA-N 1 0 351.378 2.563 20 5 FFBDRO CCO[C@@H]1C[C@@H]([NH2+]CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])[C@@H]1SC ZINC000830434087 745357194 /nfs/dbraw/zinc/35/71/94/745357194.db2.gz BFWBYSSKPAESIO-KYOSRNDESA-N 1 0 373.862 2.685 20 5 FFBDRO CC1(C)[C@H]([NH2+]CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]2CCCO[C@H]21 ZINC000831319777 745514446 /nfs/dbraw/zinc/51/44/46/745514446.db2.gz AHJPQWYWHJEWPS-IUIKQTSFSA-N 1 0 367.833 2.980 20 5 FFBDRO CO[C@@]1(C)C[C@@H]([NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1(C)C ZINC000831347646 745517863 /nfs/dbraw/zinc/51/78/63/745517863.db2.gz BZIGMLACCFNNBD-PBHICJAKSA-N 1 0 353.394 2.856 20 5 FFBDRO CC(C)(C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])[C@H]1COCC12OCCO2 ZINC000839173157 746793219 /nfs/dbraw/zinc/79/32/19/746793219.db2.gz MGPWEGFBEXIINU-OAHLLOKOSA-N 1 0 370.833 2.754 20 5 FFBDRO C[C@H]1C[C@@H](N(C)CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000839502976 746842124 /nfs/dbraw/zinc/84/21/24/746842124.db2.gz IPAACYYQYLAQAY-AAEUAGOBSA-N 1 0 354.838 2.601 20 5 FFBDRO CCO[C@H]1COCC[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1Br ZINC000839567829 746858122 /nfs/dbraw/zinc/85/81/22/746858122.db2.gz QLRAEKUAGVGVQJ-YPMHNXCESA-N 1 0 359.220 2.641 20 5 FFBDRO CC(C)[N@H+](C[C@@H]1CCC(=O)N1)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000840189966 747034146 /nfs/dbraw/zinc/03/41/46/747034146.db2.gz RYIZLMDLNYYCHV-LBPRGKRZSA-N 1 0 365.821 2.544 20 5 FFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCS(=O)(=O)C1CC1 ZINC000840879533 747210606 /nfs/dbraw/zinc/21/06/06/747210606.db2.gz PXLZIEYIPZKRPO-LBPRGKRZSA-N 1 0 358.485 2.632 20 5 FFBDRO O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N[C@H]1CCC[NH2+]CC1 ZINC000841161894 747284948 /nfs/dbraw/zinc/28/49/48/747284948.db2.gz PKFUQLPWINAVRE-VIFPVBQESA-N 1 0 357.208 2.621 20 5 FFBDRO O=C(CN1CCCC[C@H]1[C@@H]1CC[NH2+]C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000842474203 747612548 /nfs/dbraw/zinc/61/25/48/747612548.db2.gz JPLNHULHDUJAKV-DOMZBBRYSA-N 1 0 366.849 2.651 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)ccc1OCCc1nc([C@@H]2CCC[NH2+]C2)no1 ZINC000842665923 747654355 /nfs/dbraw/zinc/65/43/55/747654355.db2.gz BNNQDDMQKNRVFR-SNVBAGLBSA-N 1 0 352.778 2.720 20 5 FFBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000843481108 747842728 /nfs/dbraw/zinc/84/27/28/747842728.db2.gz ZZWSHNZGQXOTEW-GFCCVEGCSA-N 1 0 369.824 2.778 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CCC[C@H]2CC2(Cl)Cl)c1 ZINC000844277487 747996538 /nfs/dbraw/zinc/99/65/38/747996538.db2.gz LNYJVTOUGJQZHV-WCQYABFASA-N 1 0 363.241 2.898 20 5 FFBDRO C[C@@H]1C[N@H+](C)[C@H](C)[C@@H](C)N1C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000844643994 748063443 /nfs/dbraw/zinc/06/34/43/748063443.db2.gz ZLSKAPZEYYTXNB-GMTAPVOTSA-N 1 0 357.813 2.869 20 5 FFBDRO CCOc1cc([N+](=O)[O-])c(C(=O)OCC[C@@H]2CC[N@H+](C)C2)cc1OC ZINC000847827902 748791758 /nfs/dbraw/zinc/79/17/58/748791758.db2.gz HNMSTUYKPMHFNM-LBPRGKRZSA-N 1 0 352.387 2.501 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CC[S@@](=O)CC(F)(F)F)CCC2 ZINC000850497553 749376040 /nfs/dbraw/zinc/37/60/40/749376040.db2.gz VIBHSLIYJMMYMC-JCQPUDPBSA-N 1 0 350.362 2.873 20 5 FFBDRO Cc1noc(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C)c1[N+](=O)[O-] ZINC000852036486 749757852 /nfs/dbraw/zinc/75/78/52/749757852.db2.gz YVAUKSOPLDYTMI-ZYHUDNBSSA-N 1 0 354.407 2.626 20 5 FFBDRO COC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1Br)C1CCOCC1 ZINC000852320884 749833461 /nfs/dbraw/zinc/83/34/61/749833461.db2.gz GTBSHHDKBKPQKB-CYBMUJFWSA-N 1 0 373.247 2.889 20 5 FFBDRO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+](CCN1CCOCC1)CC1CC1 ZINC000852636720 749910286 /nfs/dbraw/zinc/91/02/86/749910286.db2.gz LMTZBOCNHNDEJG-UHFFFAOYSA-N 1 0 353.850 2.792 20 5 FFBDRO CC(C)(C)OC(=O)C1(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000853127205 750013090 /nfs/dbraw/zinc/01/30/90/750013090.db2.gz VASDJSXHEFGPFT-OAHLLOKOSA-N 1 0 350.415 2.730 20 5 FFBDRO C[NH+](C)CCC[C@@H]1CN(c2cc(Br)ccc2[N+](=O)[O-])CCO1 ZINC000853990165 750220547 /nfs/dbraw/zinc/22/05/47/750220547.db2.gz JOTBEMAICVILFQ-CYBMUJFWSA-N 1 0 372.263 2.904 20 5 FFBDRO [NH3+]CCc1ccn(-c2cc([N+](=O)[O-])cc3cc(Br)cnc32)n1 ZINC001167731382 970848114 /nfs/dbraw/zinc/84/81/14/970848114.db2.gz FZIABCWGIOFLAG-UHFFFAOYSA-N 1 0 362.187 2.592 20 5 FFBDRO C[C@@H]1[C@H](C)OC[C@]12CC[C@H](C[NH2+]Cc1nc3cc([N+](=O)[O-])ccc3o1)O2 ZINC000895818462 970982900 /nfs/dbraw/zinc/98/29/00/970982900.db2.gz DAYRZRNOAIFJCJ-AZGFTEDZSA-N 1 0 361.398 2.798 20 5 FFBDRO O=[N+]([O-])c1cc(I)ccc1O[C@H]1CCC[NH2+]CC1 ZINC000709260420 971544368 /nfs/dbraw/zinc/54/43/68/971544368.db2.gz LWVSSAAQLZMFEU-JTQLQIEISA-N 1 0 362.167 2.720 20 5 FFBDRO C[C@H]1CCC[N@@H+](C(C)(C)CNc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C1 ZINC001576179860 949926514 /nfs/dbraw/zinc/92/65/14/949926514.db2.gz MHNYZMAIGGBXHL-LBPRGKRZSA-N 1 0 359.434 2.697 20 5 FFBDRO Cc1ccc(C[NH+]2CCC(CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c(C)c1 ZINC001267943410 971684440 /nfs/dbraw/zinc/68/44/40/971684440.db2.gz MJUSUASMNCIKML-RTBURBONSA-N 1 0 359.470 2.687 20 5 FFBDRO O=[N+]([O-])c1cc(-c2ccc(-n3ccnc3[C@H]3CCC[NH2+]C3)nn2)ccc1F ZINC001167059976 959244872 /nfs/dbraw/zinc/24/48/72/959244872.db2.gz LYEREHAAYBXRDV-ZDUSSCGKSA-N 1 0 368.372 2.844 20 5 FFBDRO Nc1ccc(C(=O)OCC2CC[NH+](Cc3ccco3)CC2)cc1[N+](=O)[O-] ZINC000120612582 959933915 /nfs/dbraw/zinc/93/39/15/959933915.db2.gz RCXQXQCSRLQZJF-UHFFFAOYSA-N 1 0 359.382 2.839 20 5 FFBDRO C[C@@H]1C[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)C[N@@H+]1Cc1ccccc1 ZINC000134883579 960094026 /nfs/dbraw/zinc/09/40/26/960094026.db2.gz LOJGNWBUKQNTKH-QAPCUYQASA-N 1 0 353.422 2.917 20 5 FFBDRO CC1([NH+]2CCCC2)CCN(Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)CC1 ZINC000872644255 1013244027 /nfs/dbraw/zinc/24/40/27/1013244027.db2.gz HDWHJHZAHPQJPI-UHFFFAOYSA-N 1 0 370.457 2.761 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)c2nonc21 ZINC000011380743 1013368897 /nfs/dbraw/zinc/36/88/97/1013368897.db2.gz NGSRGJPEFLKPIF-UHFFFAOYSA-N 1 0 371.372 2.982 20 5 FFBDRO C[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1cc2cnccc2o1 ZINC001175637683 1013518634 /nfs/dbraw/zinc/51/86/34/1013518634.db2.gz AYWXYNIWEMONJA-JSGCOSHPSA-N 1 0 357.366 2.827 20 5 FFBDRO NC(=O)[C@@H]1C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000895005970 967151635 /nfs/dbraw/zinc/15/16/35/967151635.db2.gz CIFUTSJEVHRMFE-MGEGMALFSA-N 1 0 351.406 2.809 20 5 FFBDRO CC(C)(NC(=O)NCc1cccc2c1CC[NH2+]C2)c1ccccc1[N+](=O)[O-] ZINC000892330140 967335404 /nfs/dbraw/zinc/33/54/04/967335404.db2.gz KFKATFXESGMLPB-UHFFFAOYSA-N 1 0 368.437 2.975 20 5 FFBDRO CC[NH+](CC)CC1CCN(Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000738070502 967654874 /nfs/dbraw/zinc/65/48/74/967654874.db2.gz ICDPJNMUMICVGO-UHFFFAOYSA-N 1 0 372.473 2.865 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC001271075542 968057862 /nfs/dbraw/zinc/05/78/62/968057862.db2.gz UIKVXMDXMBPROV-MRXNPFEDSA-N 1 0 354.410 2.550 20 5 FFBDRO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1cnn(CC2CCC2)c1 ZINC001176849389 1013794738 /nfs/dbraw/zinc/79/47/38/1013794738.db2.gz MYPZOLWZGSFRJA-WMLDXEAASA-N 1 0 374.441 2.682 20 5 FFBDRO COc1c(O)ccc(C[NH2+]C[C@@H](c2cccc(F)c2)N(C)C)c1[N+](=O)[O-] ZINC000892420266 968468454 /nfs/dbraw/zinc/46/84/54/968468454.db2.gz OHBAQPCYJMQAOL-HNNXBMFYSA-N 1 0 363.389 2.841 20 5 FFBDRO Cc1cc(F)cc(C(=O)N2CCN(c3cc[nH+]cc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000895269790 968913628 /nfs/dbraw/zinc/91/36/28/968913628.db2.gz DZDKFUWNGKRLDR-ZDUSSCGKSA-N 1 0 358.373 2.788 20 5 FFBDRO Cc1ccc(CNC(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000892537114 969403735 /nfs/dbraw/zinc/40/37/35/969403735.db2.gz OJBIZNGHRZNZDK-DLBZAZTESA-N 1 0 360.458 2.967 20 5 FFBDRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000874828471 1013910713 /nfs/dbraw/zinc/91/07/13/1013910713.db2.gz GZEHSYMZCCZGIV-SJORKVTESA-N 1 0 366.421 2.966 20 5 FFBDRO O=[N+]([O-])c1c(I)cccc1O[C@@H]1CC[C@H]2C[NH2+]C[C@H]21 ZINC001218460589 970221693 /nfs/dbraw/zinc/22/16/93/970221693.db2.gz MZNDGPCMBWMTET-IQJOONFLSA-N 1 0 374.178 2.576 20 5 FFBDRO COc1c(O)ccc(C[N@@H+]2CCC[C@@](O)(c3ccccc3)C2)c1[N+](=O)[O-] ZINC000895587012 970762528 /nfs/dbraw/zinc/76/25/28/970762528.db2.gz FJJYNPKXUHTJBM-IBGZPJMESA-N 1 0 358.394 2.793 20 5 FFBDRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000738519078 974095178 /nfs/dbraw/zinc/09/51/78/974095178.db2.gz CGNJPOVAPPYFKS-UHFFFAOYSA-N 1 0 372.381 2.837 20 5 FFBDRO C[N@H+](CCCC1CCC1)CCC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001482504863 974167411 /nfs/dbraw/zinc/16/74/11/974167411.db2.gz UHCVCSXFUDPBNH-QZTJIDSGSA-N 1 0 351.491 2.792 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3Cc4ccccc4[C@@H]3O)CC2)cc1 ZINC000898392325 976414879 /nfs/dbraw/zinc/41/48/79/976414879.db2.gz RGWFKXFEGZRUKM-PMACEKPBSA-N 1 0 353.422 2.812 20 5 FFBDRO COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C1 ZINC000898481968 976490311 /nfs/dbraw/zinc/49/03/11/976490311.db2.gz XYKDAKZFKUOJME-QIIPPGSGSA-N 1 0 372.425 2.739 20 5 FFBDRO Cc1cc(C)c(C[N@@H+]2CCCC3(CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)C2)c(C)c1 ZINC000981764234 976764051 /nfs/dbraw/zinc/76/40/51/976764051.db2.gz QCJRFUQTPIXLIP-IEBWSBKVSA-N 1 0 371.481 2.701 20 5 FFBDRO COC(=O)C[C@H]1CCCC[N@@H+]1Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000728899644 976901866 /nfs/dbraw/zinc/90/18/66/976901866.db2.gz KBFHPULGAAOZPR-QGZVFWFLSA-N 1 0 358.398 2.833 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1CN1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000876781105 1014392596 /nfs/dbraw/zinc/39/25/96/1014392596.db2.gz CTQBWSWOVQNIQD-VQIMIIECSA-N 1 0 360.502 2.669 20 5 FFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@H](CN3CCCC3)c3ccccc3)C2)c1 ZINC000876881070 1014409223 /nfs/dbraw/zinc/40/92/23/1014409223.db2.gz UYVUPUPMNLSPIP-FAFZWHIHSA-N 1 0 355.442 2.922 20 5 FFBDRO C[NH+](C)Cc1ccc(-c2noc(C(=O)c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC001211732862 977633975 /nfs/dbraw/zinc/63/39/75/977633975.db2.gz DDNRVFUCOOJWOH-UHFFFAOYSA-N 1 0 352.350 2.937 20 5 FFBDRO COc1c(O)ccc(CNC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000894135131 977943181 /nfs/dbraw/zinc/94/31/81/977943181.db2.gz RJCGGJWPMZIVKW-INIZCTEOSA-N 1 0 371.437 2.921 20 5 FFBDRO C[C@@H](c1ccccc1)N1CC[C@@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000877019892 1014450685 /nfs/dbraw/zinc/45/06/85/1014450685.db2.gz HGSSRDHKOZHHGL-VFPGXZCRSA-N 1 0 355.442 2.920 20 5 FFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@@H]3CCCN3Cc3ccccc3)C2)c1 ZINC000877046277 1014460870 /nfs/dbraw/zinc/46/08/70/1014460870.db2.gz KTRGXVPCRWBTJN-ADKAHSJRSA-N 1 0 355.442 2.749 20 5 FFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@@H](CO)c3ccc(C(F)(F)F)cc3)C2)c1 ZINC000877125672 1014480631 /nfs/dbraw/zinc/48/06/31/1014480631.db2.gz SDZNHULFJLYOSY-PIMMBPRGSA-N 1 0 370.331 2.837 20 5 FFBDRO CC1CC[NH+](CC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000121697033 979194054 /nfs/dbraw/zinc/19/40/54/979194054.db2.gz XJSXZGMUHSOUGS-UHFFFAOYSA-N 1 0 361.442 2.697 20 5 FFBDRO COc1ccc(CC(=O)N[C@@H]2CCCCC23CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000877405942 1014576825 /nfs/dbraw/zinc/57/68/25/1014576825.db2.gz NZNVVGOWHLPVQH-QGZVFWFLSA-N 1 0 361.442 2.575 20 5 FFBDRO CC(C)(O)c1ccc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1 ZINC000877408332 1014577330 /nfs/dbraw/zinc/57/73/30/1014577330.db2.gz KXNFQNRWHWCARQ-UHFFFAOYSA-N 1 0 370.453 2.976 20 5 FFBDRO O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000877398967 1014572876 /nfs/dbraw/zinc/57/28/76/1014572876.db2.gz PXBHGMILBTYTMB-KNQAVFIVSA-N 1 0 361.445 2.556 20 5 FFBDRO Cc1ccc(C[N@H+](C)CC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c(C)c1 ZINC001029964294 980153081 /nfs/dbraw/zinc/15/30/81/980153081.db2.gz DITOAYKNXVRHDT-RTBURBONSA-N 1 0 359.470 2.639 20 5 FFBDRO O=[N+]([O-])c1cc(CN2CC[NH2+]CC[NH2+]CC2)ccc1Oc1ccc(F)cc1 ZINC000904396090 980264257 /nfs/dbraw/zinc/26/42/57/980264257.db2.gz DBAHXNYSCINPQM-UHFFFAOYSA-N 1 0 374.416 2.521 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CCc2cnc3ccccc3c2)c1 ZINC000905566401 980466285 /nfs/dbraw/zinc/46/62/85/980466285.db2.gz VQFRTDPDXNLBNN-GOSISDBHSA-N 1 0 367.405 2.715 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CC[C@H]1OCCc2ccccc21 ZINC000905625012 980475489 /nfs/dbraw/zinc/47/54/89/980475489.db2.gz ONVOZTKDSMHKIE-VQIMIIECSA-N 1 0 372.421 2.628 20 5 FFBDRO NC(=O)Cc1cccc2c1CC[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C2 ZINC000877679359 1014673932 /nfs/dbraw/zinc/67/39/32/1014673932.db2.gz DBXJYGJFZDLHHF-YWEYNIOJSA-N 1 0 351.406 2.694 20 5 FFBDRO CC(C)c1ccc(C[NH2+]C2CC3(CC(NC(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)C2)cc1 ZINC000963791830 1014766664 /nfs/dbraw/zinc/76/66/64/1014766664.db2.gz RSUJSYIDFIZXNZ-JGQKGBITSA-N 1 0 371.481 2.992 20 5 FFBDRO C[C@@H]1CCC[C@H](C)[N@H+]1CC(N)=NOCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000842048562 982644214 /nfs/dbraw/zinc/64/42/14/982644214.db2.gz CPWLXQKHIXJMGB-TXEJJXNPSA-N 1 0 365.390 2.764 20 5 FFBDRO CCC[N@H+](C)C[C@H]1CCN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000878162039 1014892121 /nfs/dbraw/zinc/89/21/21/1014892121.db2.gz IRGQOBJBWSYSPG-CQSZACIVSA-N 1 0 359.430 2.809 20 5 FFBDRO CCc1ccc([C@H](O)C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 ZINC000796452637 1014974635 /nfs/dbraw/zinc/97/46/35/1014974635.db2.gz WEVSMJTWJIWYMO-QGZVFWFLSA-N 1 0 358.394 2.752 20 5 FFBDRO O=[N+]([O-])c1ccc2c(cnn2CN2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000028812393 983965137 /nfs/dbraw/zinc/96/51/37/983965137.db2.gz KMBLEYGZRGGSEU-UHFFFAOYSA-N 1 0 365.437 2.762 20 5 FFBDRO COc1ccc(CC(=O)N2CCCC[C@@H]2[C@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000912811624 984122752 /nfs/dbraw/zinc/12/27/52/984122752.db2.gz LYAXGZHFORWDMU-GDBMZVCRSA-N 1 0 363.458 2.725 20 5 FFBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CC[C@@H]([NH+]3CCC3)C2)CC1 ZINC000912923892 984153637 /nfs/dbraw/zinc/15/36/37/984153637.db2.gz LYZWRKCSZCZQEV-QGZVFWFLSA-N 1 0 372.469 2.751 20 5 FFBDRO C[N@@H+]1C[C@@]2(C)CN(C(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)C[C@@]2(C)C1 ZINC000913280798 984225730 /nfs/dbraw/zinc/22/57/30/984225730.db2.gz GSCXOOSSFQGTMV-CALCHBBNSA-N 1 0 369.368 2.610 20 5 FFBDRO CC(C)(C)CC[NH+]1CCN(Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000055035439 984315175 /nfs/dbraw/zinc/31/51/75/984315175.db2.gz XUDDXEHYFMTZIE-UHFFFAOYSA-N 1 0 372.473 2.865 20 5 FFBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)[N@H+](C)C1CC1 ZINC000057716050 984515146 /nfs/dbraw/zinc/51/51/46/984515146.db2.gz AZAWUZBIPZNZMZ-AWEZNQCLSA-N 1 0 360.458 2.798 20 5 FFBDRO CCCC(=O)NC[C@@H]1CCC[N@H+](Cn2nc(C)c3cc([N+](=O)[O-])ccc32)C1 ZINC000764967874 984895345 /nfs/dbraw/zinc/89/53/45/984895345.db2.gz YFOTVPCSTWMPOM-HNNXBMFYSA-N 1 0 373.457 2.839 20 5 FFBDRO Cc1nn(CN2CC[NH+](C3CCCCC3)CC2)c2ncc([N+](=O)[O-])cc12 ZINC000765124602 984969381 /nfs/dbraw/zinc/96/93/81/984969381.db2.gz BYWZAUWHQRWDKQ-UHFFFAOYSA-N 1 0 358.446 2.556 20 5 FFBDRO O=[N+]([O-])c1c(N2CCN(Cc3cccc(F)c3)CC2)nc2ccccn21 ZINC000765574251 985202605 /nfs/dbraw/zinc/20/26/05/985202605.db2.gz JBXDOMBSDIQXCI-UHFFFAOYSA-N 1 0 355.373 2.704 20 5 FFBDRO COC(=O)COc1c(C)cc(N[C@H]2CCCC[C@@H]2[NH+](C)C)cc1[N+](=O)[O-] ZINC001168602797 985766766 /nfs/dbraw/zinc/76/67/66/985766766.db2.gz ZWTBQAVAYVXUGA-GJZGRUSLSA-N 1 0 365.430 2.740 20 5 FFBDRO O=[N+]([O-])c1cc(-c2nc(CC3CCOCC3)no2)ccc1-n1ccnc1 ZINC000761973282 988017137 /nfs/dbraw/zinc/01/71/37/988017137.db2.gz KCZIATOREOOCJH-UHFFFAOYSA-N 1 0 355.354 2.800 20 5 FFBDRO O=[N+]([O-])c1ccnn1CN1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000762500450 988415815 /nfs/dbraw/zinc/41/58/15/988415815.db2.gz CYTCEKSPLHAHDS-UHFFFAOYSA-N 1 0 355.442 2.737 20 5 FFBDRO CN(CCCC[NH+]1CCCCC1)C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000922333430 988434982 /nfs/dbraw/zinc/43/49/82/988434982.db2.gz YIVKBGDSFAXQND-UHFFFAOYSA-N 1 0 363.414 2.662 20 5 FFBDRO C[N@@H+](Cc1cnn(-c2ccccc2)c1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000153713759 988900276 /nfs/dbraw/zinc/90/02/76/988900276.db2.gz RCWMSYIEIRUMHP-LJQANCHMSA-N 1 0 352.394 2.946 20 5 FFBDRO C[C@@H](NC(=O)N1CCC[C@H](c2nccn2C)C1)c1cccc([N+](=O)[O-])c1 ZINC000444186526 989690706 /nfs/dbraw/zinc/69/07/06/989690706.db2.gz IXUZKCUFQOMDAC-HIFRSBDPSA-N 1 0 357.414 2.979 20 5 FFBDRO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC001005377212 989742696 /nfs/dbraw/zinc/74/26/96/989742696.db2.gz YKGKMGYUHCPJAB-WOJBJXKFSA-N 1 0 367.449 2.928 20 5 FFBDRO COc1cc(CC[NH2+]C[C@@H](O)c2cccc(F)c2)c([N+](=O)[O-])cc1OC ZINC000916989246 990085932 /nfs/dbraw/zinc/08/59/32/990085932.db2.gz CXSXWGODKGHYBK-MRXNPFEDSA-N 1 0 364.373 2.617 20 5 FFBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]C[C@H]2CCN2C2CCOCC2)c1 ZINC000922950857 990764736 /nfs/dbraw/zinc/76/47/36/990764736.db2.gz PYZDGKNAEUWKMJ-OAHLLOKOSA-N 1 0 371.384 2.539 20 5 FFBDRO C[C@@H]1CCC[C@](CNC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)([NH+](C)C)C1 ZINC000920461005 990853746 /nfs/dbraw/zinc/85/37/46/990853746.db2.gz RRLGQNYTXWNQME-KUHUBIRLSA-N 1 0 373.457 2.571 20 5 FFBDRO [NH3+]C[C@@H](NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)C1CC1 ZINC000237794286 991353487 /nfs/dbraw/zinc/35/34/87/991353487.db2.gz PMVMSDBYMMWKRW-QGZVFWFLSA-N 1 0 354.410 2.674 20 5 FFBDRO CCCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000068964539 991555023 /nfs/dbraw/zinc/55/50/23/991555023.db2.gz WTGMSBILBVZYGG-ZBFHGGJFSA-N 1 0 373.457 2.919 20 5 FFBDRO CCC1([NH2+]Cc2cc(C)cc(C)c2)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001484812442 991759673 /nfs/dbraw/zinc/75/96/73/991759673.db2.gz YFRDVNQWYCXHPM-QZTJIDSGSA-N 1 0 359.470 2.829 20 5 FFBDRO C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000880079995 1015749819 /nfs/dbraw/zinc/74/98/19/1015749819.db2.gz MPQUZSPORCECNF-ROUUACIJSA-N 1 0 371.393 2.585 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CC[C@](CO)(Cc3ccc(F)cc3)C2)cc1 ZINC000808795329 994270420 /nfs/dbraw/zinc/27/04/20/994270420.db2.gz TYRQLRJHOUPSBY-PMACEKPBSA-N 1 0 374.412 2.694 20 5 FFBDRO NC(=O)c1ccc(C[N@H+]2Cc3ccccc3N3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000880556024 1015870822 /nfs/dbraw/zinc/87/08/22/1015870822.db2.gz ATAUXVWLZNVXHA-KRWDZBQOSA-N 1 0 366.421 2.678 20 5 FFBDRO O=C(O[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000810845654 994951681 /nfs/dbraw/zinc/95/16/81/994951681.db2.gz FQLOMWSYEHRTMH-KBPBESRZSA-N 1 0 356.382 2.564 20 5 FFBDRO O=C(NCc1ccccc1C[NH+]1CCCC1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000824092374 996783700 /nfs/dbraw/zinc/78/37/00/996783700.db2.gz YOFMGWBUXJZHOB-LJQANCHMSA-N 1 0 369.421 2.540 20 5 FFBDRO O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCN(CCc2ccncc2)CC1 ZINC000825105732 997199110 /nfs/dbraw/zinc/19/91/10/997199110.db2.gz PNQZTUJITWIODS-UHFFFAOYSA-N 1 0 374.828 2.644 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])ncc1-n1c2ccccc2c2c1C[C@@H]([NH3+])CC2 ZINC001171101203 997643269 /nfs/dbraw/zinc/64/32/69/997643269.db2.gz XTQUSMFMEPNQKM-NSHDSACASA-N 1 0 366.377 2.536 20 5 FFBDRO C[NH+]1CCN(c2ccc(NC(=O)Cc3ccc(F)cc3[N+](=O)[O-])cc2)CC1 ZINC000844298487 997779789 /nfs/dbraw/zinc/77/97/89/997779789.db2.gz VGBJICNBYOFLHN-UHFFFAOYSA-N 1 0 372.400 2.667 20 5 FFBDRO C[N@@H+]1CCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C[C@@H]1C(C)(C)C ZINC001144023932 997945670 /nfs/dbraw/zinc/94/56/70/997945670.db2.gz CZCXGJAVMMGTCL-QGZVFWFLSA-N 1 0 371.441 2.583 20 5 FFBDRO Cc1c(C(=O)N2[C@H](C)C[N@H+](C)[C@@H](C)[C@@H]2C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000844647318 998057659 /nfs/dbraw/zinc/05/76/59/998057659.db2.gz YQUAJIRSHOPSRQ-ICCXJUOJSA-N 1 0 364.402 2.673 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]Cc2ccc(-n3ccnc3)c(F)c2)cc1 ZINC000731678371 998142757 /nfs/dbraw/zinc/14/27/57/998142757.db2.gz LBQFBQGNWHEGKW-GOSISDBHSA-N 1 0 356.357 2.743 20 5 FFBDRO O=C(NC1(C2CC[NH+](CCC3CCCCC3)CC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001000152238 1016247601 /nfs/dbraw/zinc/24/76/01/1016247601.db2.gz BJRDOIHONQFZOJ-QZTJIDSGSA-N 1 0 363.502 2.983 20 5 FFBDRO CC(C)CN(C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)C1CC[NH+](C)CC1 ZINC000733976481 999163184 /nfs/dbraw/zinc/16/31/84/999163184.db2.gz CPLCVHKVKJTQSA-UHFFFAOYSA-N 1 0 373.457 2.523 20 5 FFBDRO O=C(CC1([NH+]2CCOCC2)CCCC1)OCc1cc(F)ccc1[N+](=O)[O-] ZINC000736005485 999528813 /nfs/dbraw/zinc/52/88/13/999528813.db2.gz CHCRFHPVZIOKSN-UHFFFAOYSA-N 1 0 366.389 2.812 20 5 FFBDRO Cc1cc([C@](C)(O)C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c(C)o1 ZINC000742374078 999772404 /nfs/dbraw/zinc/77/24/04/999772404.db2.gz IDEIOYSUGNHLIG-GOSISDBHSA-N 1 0 362.382 2.573 20 5 FFBDRO Cc1nn(CN2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000766376524 999989797 /nfs/dbraw/zinc/98/97/97/999989797.db2.gz NZJJPPXONHQCEJ-HUUCEWRRSA-N 1 0 357.458 2.960 20 5 FFBDRO CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1C[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168956975 1000012688 /nfs/dbraw/zinc/01/26/88/1000012688.db2.gz DIDKHHIKURGGHW-AGIUHOORSA-N 1 0 363.405 2.666 20 5 FFBDRO CC(C)(C)OC(=O)N1CCC2(C[C@@H]2[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168961720 1000012917 /nfs/dbraw/zinc/01/29/17/1000012917.db2.gz JZTWOWCBERFFJN-ZNMIVQPWSA-N 1 0 353.463 2.811 20 5 FFBDRO CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](C[NH2+][C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC[C@@H]2C1 ZINC001168965013 1000013307 /nfs/dbraw/zinc/01/33/07/1000013307.db2.gz XHSLQULTXSRVMA-OVYGPGRDSA-N 1 0 367.490 2.915 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(-n2c(CCC[NH3+])nc3ccc(Cl)cc32)n1 ZINC001168991821 1000013775 /nfs/dbraw/zinc/01/37/75/1000013775.db2.gz NREHMFRZTJKECI-UHFFFAOYSA-N 1 0 361.789 2.882 20 5 FFBDRO CC(C)(C)OC(=O)N1CCC[C@@H]2C[N@@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@@H]21 ZINC001169010286 1000015211 /nfs/dbraw/zinc/01/52/11/1000015211.db2.gz CFLZMLIHLKPAHY-FPCVCCKLSA-N 1 0 353.463 2.763 20 5 FFBDRO CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)C[N@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169011966 1000015558 /nfs/dbraw/zinc/01/55/58/1000015558.db2.gz NYYQCMDXDIIWTO-WCVJEAGWSA-N 1 0 353.463 2.621 20 5 FFBDRO CC(C)(C)OC(=O)N1CCC2(C[NH+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C2)CC1 ZINC001169012980 1000015619 /nfs/dbraw/zinc/01/56/19/1000015619.db2.gz SQBXPBMPMZSDQO-LSDHHAIUSA-N 1 0 353.463 2.765 20 5 FFBDRO CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@@H+]2[C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169013963 1000015635 /nfs/dbraw/zinc/01/56/35/1000015635.db2.gz WYQQLNSUPPUZPK-MPGHIAIKSA-N 1 0 353.463 2.907 20 5 FFBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCN(c3ccc(C(F)(F)F)cn3)CC2)C1 ZINC001169027830 1000016076 /nfs/dbraw/zinc/01/60/76/1000016076.db2.gz QXSKPKIKCMHBKF-TZMCWYRMSA-N 1 0 358.364 2.668 20 5 FFBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]C2CCN(Cc3cc(F)cc(F)c3)CC2)C1 ZINC001168990671 1000016108 /nfs/dbraw/zinc/01/61/08/1000016108.db2.gz CZOVTOMACAEAFV-UGSOOPFHSA-N 1 0 353.413 2.964 20 5 FFBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@]3(C[C@@H](Oc4ccccn4)CO3)C2)C1 ZINC001169030394 1000016209 /nfs/dbraw/zinc/01/62/09/1000016209.db2.gz ZKMNCYJJLSMMCP-YWTNHNAXSA-N 1 0 361.442 2.529 20 5 FFBDRO CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CC[C@H]1C[N@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169036022 1000016780 /nfs/dbraw/zinc/01/67/80/1000016780.db2.gz FCQMIMYBBKZDQW-RBZJEDDUSA-N 1 0 353.463 2.667 20 5 FFBDRO O=C1OC2(CN1c1ccccc1)CC[NH+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169038253 1000016857 /nfs/dbraw/zinc/01/68/57/1000016857.db2.gz XJZBIBHPFMJOLS-DOTOQJQBSA-N 1 0 359.426 2.923 20 5 FFBDRO CCOC[C@@H]1C[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)Cc2cn(CC3CC3)nc21 ZINC001169021689 1000017544 /nfs/dbraw/zinc/01/75/44/1000017544.db2.gz PKYVTVNDSHDRPA-BPQIPLTHSA-N 1 0 362.474 2.674 20 5 FFBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2CCC[C@@]3(C[C@H](Oc4ccccn4)CO3)C2)C1 ZINC001169026966 1000018089 /nfs/dbraw/zinc/01/80/89/1000018089.db2.gz ZKMNCYJJLSMMCP-MJQMVNBJSA-N 1 0 361.442 2.529 20 5 FFBDRO Cc1ccc(O[C@@H]2C[C@@H]3CN([C@H]4CC[C@@H](C[N+](=O)[O-])C4)CC[N@@H+]3C2)cc1 ZINC001169026355 1000018176 /nfs/dbraw/zinc/01/81/76/1000018176.db2.gz LHCGIBCMNLZYTE-AJYBTWMASA-N 1 0 359.470 2.578 20 5 FFBDRO CC[N@H+](C[C@@H]1CN(Cc2ccccc2)CCO1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169053545 1000018992 /nfs/dbraw/zinc/01/89/92/1000018992.db2.gz ILKDBAONGHNECZ-AABGKKOBSA-N 1 0 361.486 2.655 20 5 FFBDRO CCOc1ccc([C@H](C)[NH2+]CC(=O)NCc2ccccc2)cc1[N+](=O)[O-] ZINC000768095430 1000179244 /nfs/dbraw/zinc/17/92/44/1000179244.db2.gz DLOPDPVTEQPUQC-AWEZNQCLSA-N 1 0 357.410 2.961 20 5 FFBDRO C[C@@H]([NH2+]C[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000846846057 1000457136 /nfs/dbraw/zinc/45/71/36/1000457136.db2.gz STQJOMZSMDWUOP-ACJLOTCBSA-N 1 0 365.430 2.617 20 5 FFBDRO Cc1nn(CN2CC[C@@]3(C2)OCc2ccccc23)c2ncc([N+](=O)[O-])cc12 ZINC000769776802 1000593367 /nfs/dbraw/zinc/59/33/67/1000593367.db2.gz KPIAVPJNVGSEPQ-IBGZPJMESA-N 1 0 365.393 2.737 20 5 FFBDRO Cc1cc(C(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)c(N)c([N+](=O)[O-])c1 ZINC000771598407 1001155235 /nfs/dbraw/zinc/15/52/35/1001155235.db2.gz XSDLIICZCRORQV-UGSOOPFHSA-N 1 0 356.426 2.907 20 5 FFBDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000746565094 1001502273 /nfs/dbraw/zinc/50/22/73/1001502273.db2.gz BKAPRMBPQZHARP-VOCYLRNQSA-N 1 0 361.442 2.567 20 5 FFBDRO Cc1cc(F)ccc1[C@@H](O)C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000746658765 1001671398 /nfs/dbraw/zinc/67/13/98/1001671398.db2.gz RDGSQOJSKBTNLO-IBGZPJMESA-N 1 0 359.401 2.898 20 5 FFBDRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1N)[NH+](C)C ZINC000787319560 1001684625 /nfs/dbraw/zinc/68/46/25/1001684625.db2.gz VIUZIXVEQQXMJY-FZKQIMNGSA-N 1 0 356.426 2.907 20 5 FFBDRO COc1c(O)ccc(CN[C@H](CCO)c2ccccc2F)c1[N+](=O)[O-] ZINC001182545606 1001955205 /nfs/dbraw/zinc/95/52/05/1001955205.db2.gz XNFXXLQKFDGCRB-CQSZACIVSA-N 1 0 350.346 2.661 20 5 FFBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000774517595 1001964790 /nfs/dbraw/zinc/96/47/90/1001964790.db2.gz HRLSUBALQLBXDY-FMKPAKJESA-N 1 0 360.458 2.796 20 5 FFBDRO C[NH+](C)[C@@H]1CCOc2c(NC(=O)c3cc([N+](=O)[O-])ccc3N)cccc21 ZINC000790238175 1002311194 /nfs/dbraw/zinc/31/11/94/1002311194.db2.gz LEVLVUKZSGTDLM-MRXNPFEDSA-N 1 0 356.382 2.815 20 5 FFBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000791315586 1002664647 /nfs/dbraw/zinc/66/46/47/1002664647.db2.gz DFGZDSVMDNSCQG-KRWDZBQOSA-N 1 0 372.400 2.883 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001184729862 1002707789 /nfs/dbraw/zinc/70/77/89/1002707789.db2.gz POAIJCYJMVPKOD-ZIAGYGMSSA-N 1 0 365.430 2.601 20 5 FFBDRO CC(C)[NH+]1CCN(CCCOC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000791756536 1002803468 /nfs/dbraw/zinc/80/34/68/1002803468.db2.gz ZAKHWIFEYIODSH-UHFFFAOYSA-N 1 0 374.441 2.649 20 5 FFBDRO CC(C)N(C)C(=O)C1CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000774839277 1002851065 /nfs/dbraw/zinc/85/10/65/1002851065.db2.gz CXBLNUPQIRPVDY-UHFFFAOYSA-N 1 0 364.402 2.582 20 5 FFBDRO COc1ccc(C[C@H](C)[NH2+]CCNC(=O)c2ccccc2)c([N+](=O)[O-])c1 ZINC001170297842 1003091330 /nfs/dbraw/zinc/09/13/30/1003091330.db2.gz UFBPCGIMCQQFSG-AWEZNQCLSA-N 1 0 357.410 2.554 20 5 FFBDRO COc1ccc(C[C@@H](C)[NH2+][C@H]2CCN(C(=O)C3CCC3)C2)c([N+](=O)[O-])c1 ZINC001170317257 1003106088 /nfs/dbraw/zinc/10/60/88/1003106088.db2.gz DGZYCYYLEGCYGZ-CJNGLKHVSA-N 1 0 361.442 2.525 20 5 FFBDRO COc1ccc(C[C@H](C)[NH2+]CCC(=O)Nc2nccs2)c([N+](=O)[O-])c1 ZINC001170306678 1003120158 /nfs/dbraw/zinc/12/01/58/1003120158.db2.gz ZWMWWNALCGKNKK-NSHDSACASA-N 1 0 364.427 2.609 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC2CCC([NH+]3CCCCC3)CC2)n1 ZINC000804537676 1003722824 /nfs/dbraw/zinc/72/28/24/1003722824.db2.gz BJVGCIUEDIDTCK-UHFFFAOYSA-N 1 0 362.430 2.985 20 5 FFBDRO CC[C@@H](C)C[N@H+](CC)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001191375722 1003806680 /nfs/dbraw/zinc/80/66/80/1003806680.db2.gz WZSRFZVWQMAERU-MRXNPFEDSA-N 1 0 362.474 2.611 20 5 FFBDRO CCC(CC)(CC(=O)OC)[NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC001191891302 1003990603 /nfs/dbraw/zinc/99/06/03/1003990603.db2.gz IUGCSPPZRGRMTG-UHFFFAOYSA-N 1 0 365.430 2.943 20 5 FFBDRO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1NCC(C)(C)C[NH+](C)C ZINC001157940683 1004085637 /nfs/dbraw/zinc/08/56/37/1004085637.db2.gz VHUSYKINBSAEFL-UHFFFAOYSA-N 1 0 358.826 2.820 20 5 FFBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1[N+](=O)[O-] ZINC000775549777 1004291987 /nfs/dbraw/zinc/29/19/87/1004291987.db2.gz SNILJWCBVCYYIB-LLVKDONJSA-N 1 0 369.381 2.774 20 5 FFBDRO Cc1cc(S(=O)(=O)NCCC2CC[NH+](C(C)C)CC2)ccc1[N+](=O)[O-] ZINC001193130723 1004379941 /nfs/dbraw/zinc/37/99/41/1004379941.db2.gz DEFRNYIPWYOETI-UHFFFAOYSA-N 1 0 369.487 2.692 20 5 FFBDRO CCC1([NH2+]C/C=C/c2ccccc2)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001273756544 1004436941 /nfs/dbraw/zinc/43/69/41/1004436941.db2.gz BDVWDAPLFVQVKP-OKMWKSJFSA-N 1 0 357.454 2.726 20 5 FFBDRO COC(=O)N1CCC[C@@H]([C@H](C)[NH2+]CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000775813176 1004466031 /nfs/dbraw/zinc/46/60/31/1004466031.db2.gz USLHBJMWFQKVJE-LSDHHAIUSA-N 1 0 365.430 2.820 20 5 FFBDRO COC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000775819788 1004485331 /nfs/dbraw/zinc/48/53/31/1004485331.db2.gz QSYLQFCYWVUOMW-RYUDHWBXSA-N 1 0 369.393 2.699 20 5 FFBDRO C[N@H+](CCOCCNC(=O)OC(C)(C)C)CCc1cccc([N+](=O)[O-])c1 ZINC001193743035 1004558617 /nfs/dbraw/zinc/55/86/17/1004558617.db2.gz HPODHDLNKRHTPM-UHFFFAOYSA-N 1 0 367.446 2.610 20 5 FFBDRO C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000747423193 1004684663 /nfs/dbraw/zinc/68/46/63/1004684663.db2.gz QHEJWFYYTCIDMW-DVUAIPLNSA-N 1 0 373.453 2.708 20 5 FFBDRO Cc1c(C[NH2+][C@@H](CN2CCN(C)CC2)c2ccccc2)cccc1[N+](=O)[O-] ZINC000775618441 1004838077 /nfs/dbraw/zinc/83/80/77/1004838077.db2.gz ZQOOYEKZXTWQDH-FQEVSTJZSA-N 1 0 368.481 2.982 20 5 FFBDRO C[N@H+](Cc1ccc(F)cc1)Cc1ccccc1CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001050245056 1016930232 /nfs/dbraw/zinc/93/02/32/1016930232.db2.gz XUOMFOCYEKHJCQ-RTBURBONSA-N 1 0 371.412 2.739 20 5 FFBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCc1ccccc1C[NH+](C)C ZINC000006992995 1005715274 /nfs/dbraw/zinc/71/52/74/1005715274.db2.gz HZJKFJJMHRRNMG-UHFFFAOYSA-N 1 0 356.426 2.652 20 5 FFBDRO CO[C@@H]1CC[C@@H]([N@@H+]2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)C1 ZINC000851935804 1005924311 /nfs/dbraw/zinc/92/43/11/1005924311.db2.gz SNPUZCUKLCVTRN-UKRRQHHQSA-N 1 0 359.430 2.551 20 5 FFBDRO O=C(NCCCCC[NH+]1CCCCC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000110436933 1005944243 /nfs/dbraw/zinc/94/42/43/1005944243.db2.gz BYINLRCZCBNIKR-UHFFFAOYSA-N 1 0 364.402 2.889 20 5 FFBDRO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776580509 1005961179 /nfs/dbraw/zinc/96/11/79/1005961179.db2.gz VYLMDUQXSLRZSW-LESCRADOSA-N 1 0 363.458 2.645 20 5 FFBDRO CCCCCC(=O)NC1CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776581389 1005961727 /nfs/dbraw/zinc/96/17/27/1005961727.db2.gz INLREYCPOREDTF-GOSISDBHSA-N 1 0 363.458 2.789 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H](c2ccncc2)C2(CO)CCC2)c1 ZINC000853134833 1006309378 /nfs/dbraw/zinc/30/93/78/1006309378.db2.gz YEINRCXDTBJRON-MSOLQXFVSA-N 1 0 357.410 2.517 20 5 FFBDRO COc1cccc(C[C@@H]2CN(c3c(Cl)cncc3[N+](=O)[O-])CC[NH2+]2)c1 ZINC001187932289 1006327494 /nfs/dbraw/zinc/32/74/94/1006327494.db2.gz UUFSKBSIKIUUTP-CYBMUJFWSA-N 1 0 362.817 2.673 20 5 FFBDRO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC(C)C ZINC001188109292 1006415125 /nfs/dbraw/zinc/41/51/25/1006415125.db2.gz HXTGEEPIEOAROS-OAHLLOKOSA-N 1 0 357.476 2.630 20 5 FFBDRO Cc1c(CO)cc([N+](=O)[O-])c(N[C@@H](C)C[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000853866866 1006561341 /nfs/dbraw/zinc/56/13/41/1006561341.db2.gz BKAITXWKRHGPGA-LBPRGKRZSA-N 1 0 366.418 2.836 20 5 FFBDRO O=c1[nH]ccc(Nc2ccc(N3CC[N@@H+]4CCC[C@@H]4C3)cc2)c1[N+](=O)[O-] ZINC000882943985 1006570945 /nfs/dbraw/zinc/57/09/45/1006570945.db2.gz OQSNIQSXMNQRFG-OAHLLOKOSA-N 1 0 355.398 2.723 20 5 FFBDRO C[C@@H]([NH2+]Cc1cccc(N2CCOC2=O)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815563048 1006684446 /nfs/dbraw/zinc/68/44/46/1006684446.db2.gz SJYYGQYKISNMQL-GFCCVEGCSA-N 1 0 356.382 2.984 20 5 FFBDRO CC(C)[C@H]([NH3+])C(C)(C)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000884153404 1007274073 /nfs/dbraw/zinc/27/40/73/1007274073.db2.gz KAXIHBLIDZIUQO-KRWDZBQOSA-N 1 0 363.458 2.974 20 5 FFBDRO C[C@@H](CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)[NH+](C)C ZINC000855415664 1007330393 /nfs/dbraw/zinc/33/03/93/1007330393.db2.gz LNQXFIYGFMOSIM-QMMMGPOBSA-N 1 0 362.199 2.566 20 5 FFBDRO C/C(=C/C(=O)N1CCO[C@H](CCC[NH+](C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000856429364 1007821872 /nfs/dbraw/zinc/82/18/72/1007821872.db2.gz JOKXDKLPHYFCKM-XXTMNZORSA-N 1 0 361.442 2.567 20 5 FFBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000856476577 1007845859 /nfs/dbraw/zinc/84/58/59/1007845859.db2.gz ZWITVMRHHXXPKL-OAHLLOKOSA-N 1 0 360.458 2.513 20 5 FFBDRO CC[C@H](CN1CCOCC1)[NH2+]Cc1c(Br)cccc1[N+](=O)[O-] ZINC001203733040 1007875195 /nfs/dbraw/zinc/87/51/95/1007875195.db2.gz FKHOYYYLUHWLFW-GFCCVEGCSA-N 1 0 372.263 2.558 20 5 FFBDRO O=C(CCC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)N1CCc2ccccc21 ZINC000819052398 1008019287 /nfs/dbraw/zinc/01/92/87/1008019287.db2.gz FQTHACWNTQHVOE-IBGZPJMESA-N 1 0 369.421 2.587 20 5 FFBDRO [NH3+]CCN(Cc1ccnn1CCc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000857046039 1008044985 /nfs/dbraw/zinc/04/49/85/1008044985.db2.gz FPYPCLBPWLKEAA-UHFFFAOYSA-N 1 0 365.437 2.999 20 5 FFBDRO COc1ccccc1OC[C@H](C)C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819196444 1008063785 /nfs/dbraw/zinc/06/37/85/1008063785.db2.gz RCXQTHCIKDRWAA-RHSMWYFYSA-N 1 0 360.410 2.942 20 5 FFBDRO O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000858871543 1008442860 /nfs/dbraw/zinc/44/28/60/1008442860.db2.gz IUFQSNYEEPFPIE-INIZCTEOSA-N 1 0 358.442 2.679 20 5 FFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N(CCC[NH2+]Cc1ccccc1)CC1CCCC1 ZINC001177313924 1008558841 /nfs/dbraw/zinc/55/88/41/1008558841.db2.gz WGUUKAROFQIUKO-RTBURBONSA-N 1 0 359.470 2.850 20 5 FFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N(CCC[NH2+]CCCCCF)CC1CCCC1 ZINC001177313719 1008559974 /nfs/dbraw/zinc/55/99/74/1008559974.db2.gz KWMYUFQVTNKXHC-IAGOWNOFSA-N 1 0 357.470 2.790 20 5 FFBDRO C[C@@H]1C[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC[C@@H]1C(=O)OC(C)(C)C ZINC000859613054 1008588565 /nfs/dbraw/zinc/58/85/65/1008588565.db2.gz VZKZAGFPRUOJHC-XOKHGSTOSA-N 1 0 364.442 2.928 20 5 FFBDRO CC(C)(C)OC(=O)N1CC[C@@H]2CN(Cc3cccnc3[N+](=O)[O-])CC[C@H]21 ZINC000886215988 1008602144 /nfs/dbraw/zinc/60/21/44/1008602144.db2.gz UOLABBPTJNPJHY-UKRRQHHQSA-N 1 0 362.430 2.821 20 5 FFBDRO CC(C)(C)OC(=O)N1CC[C@@H]2CN(Cc3cccnc3[N+](=O)[O-])CC[C@@H]21 ZINC000886215987 1008603426 /nfs/dbraw/zinc/60/34/26/1008603426.db2.gz UOLABBPTJNPJHY-HIFRSBDPSA-N 1 0 362.430 2.821 20 5 FFBDRO C[C@@]12CN(Cc3cccnc3[N+](=O)[O-])C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000886314238 1008634948 /nfs/dbraw/zinc/63/49/48/1008634948.db2.gz QNIRXKORIREVHN-AZUAARDMSA-N 1 0 352.438 2.944 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCN(C)C(=O)OC(C)(C)C ZINC001177599646 1008674862 /nfs/dbraw/zinc/67/48/62/1008674862.db2.gz OIQPZVAPGIKDIP-UHFFFAOYSA-N 1 0 353.419 2.950 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2ccc(CNC[C@H]3C[N@@H+]4CCC[C@@H]4CO3)o2)c1 ZINC001177749462 1008731642 /nfs/dbraw/zinc/73/16/42/1008731642.db2.gz VWRCNUQKZFQYOQ-AEFFLSMTSA-N 1 0 357.410 2.808 20 5 FFBDRO COc1ccc(OCC[N@@H+]2CCC[C@@H](c3ncccn3)C2)c([N+](=O)[O-])c1 ZINC000886681141 1008818919 /nfs/dbraw/zinc/81/89/19/1008818919.db2.gz SRAPOVQUEURKIU-CQSZACIVSA-N 1 0 358.398 2.652 20 5 FFBDRO Cc1cccc(CCC[NH2+]CCCCCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001178464690 1008999396 /nfs/dbraw/zinc/99/93/96/1008999396.db2.gz XWXRIBAHLOOEER-RTBURBONSA-N 1 0 361.486 2.859 20 5 FFBDRO COc1ccc(OCC[N@H+](C)C[C@@](C)(O)c2ccccc2)c([N+](=O)[O-])c1 ZINC000823591436 1009128008 /nfs/dbraw/zinc/12/80/08/1009128008.db2.gz LFNISOQJVCJNAT-LJQANCHMSA-N 1 0 360.410 2.822 20 5 FFBDRO C[N@H+](C[C@@](C)(O)c1ccccc1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000823597790 1009135559 /nfs/dbraw/zinc/13/55/59/1009135559.db2.gz BLPUHQYQSWCAFB-AZUAARDMSA-N 1 0 369.421 2.540 20 5 FFBDRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000823937606 1009285776 /nfs/dbraw/zinc/28/57/76/1009285776.db2.gz DLMOXARWRJMBMS-LJQANCHMSA-N 1 0 369.421 2.540 20 5 FFBDRO CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(C[NH2+]CCc2ccccc2[N+](=O)[O-])C1 ZINC000823943963 1009287254 /nfs/dbraw/zinc/28/72/54/1009287254.db2.gz QVSWUOZCMOESDV-KXBFYZLASA-N 1 0 361.442 2.984 20 5 FFBDRO CC(C)(C)Oc1cccc(C[NH2+][C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC001179524808 1009351661 /nfs/dbraw/zinc/35/16/61/1009351661.db2.gz AABUUVPZRKXKEC-RTBURBONSA-N 1 0 374.437 2.956 20 5 FFBDRO COc1cc(C(=O)OCC23CCC[NH+](CCC2)C3)c([N+](=O)[O-])cc1OC ZINC000861358339 1009374987 /nfs/dbraw/zinc/37/49/87/1009374987.db2.gz VTMJOJDAWYDLMJ-UHFFFAOYSA-N 1 0 364.398 2.645 20 5 FFBDRO C[C@H]1C[C@H](N(C)C(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)CC[N@@H+]1C ZINC000889164063 1009845305 /nfs/dbraw/zinc/84/53/05/1009845305.db2.gz XFSDFHNIPOHGDK-GXTWGEPZSA-N 1 0 356.426 2.885 20 5 FFBDRO CN(C)c1cc(F)c(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)cc1[N+](=O)[O-] ZINC000863031984 1010087475 /nfs/dbraw/zinc/08/74/75/1010087475.db2.gz KOOMDEYOQKXCAI-ZDUSSCGKSA-N 1 0 364.421 2.547 20 5 FFBDRO COCCOc1ncccc1C[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866232383 1010956515 /nfs/dbraw/zinc/95/65/15/1010956515.db2.gz DXGFARLJOXURBT-CYBMUJFWSA-N 1 0 363.389 2.875 20 5 FFBDRO CNC(=O)c1cccc(CC[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])c1 ZINC000866270486 1010966402 /nfs/dbraw/zinc/96/64/02/1010966402.db2.gz PAUUINHKOCVJJP-ZDUSSCGKSA-N 1 0 359.401 2.857 20 5 FFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCN1C[C@H]2CCCCN2C1=O ZINC000866391953 1010987505 /nfs/dbraw/zinc/98/75/05/1010987505.db2.gz UHIKZWNLWOOORC-XJKSGUPXSA-N 1 0 364.421 2.545 20 5 FFBDRO C[NH+](C)CCc1ccc(CNC(=O)Cc2cccc(F)c2[N+](=O)[O-])cc1 ZINC000867681310 1011083579 /nfs/dbraw/zinc/08/35/79/1011083579.db2.gz CKOYEBOVSYCFDO-UHFFFAOYSA-N 1 0 359.401 2.697 20 5 FFBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CC[C@@](C)([NH3+])C3)cc2[N+](=O)[O-])C1 ZINC000868076445 1011160265 /nfs/dbraw/zinc/16/02/65/1011160265.db2.gz FVHVANNTFHJYIG-BIENJYKASA-N 1 0 360.458 2.640 20 5 FFBDRO COc1ccc(CC(=O)Nc2ccc(C[NH+](C)C)cc2OC)cc1[N+](=O)[O-] ZINC000868815323 1011490084 /nfs/dbraw/zinc/49/00/84/1011490084.db2.gz XHDYLUMURVWPAY-UHFFFAOYSA-N 1 0 373.409 2.855 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H](N(c1ncccn1)C1CC[NH2+]CC1)CC2 ZINC001172914194 1012096868 /nfs/dbraw/zinc/09/68/68/1012096868.db2.gz DYRCWYLIRFDQDZ-QGZVFWFLSA-N 1 0 367.453 2.891 20 5 FFBDRO O=C1NCCCC12CC[NH+]([C@@H]1CCc3ccc([N+](=O)[O-])cc3CC1)CC2 ZINC001172914796 1012097158 /nfs/dbraw/zinc/09/71/58/1012097158.db2.gz IYECLBADPRSEMZ-QGZVFWFLSA-N 1 0 357.454 2.834 20 5 FFBDRO Cc1cc(N2CC[NH+]([C@H]3CCc4ccc([N+](=O)[O-])cc4CC3)CC2)ncn1 ZINC001172911424 1012123614 /nfs/dbraw/zinc/12/36/14/1012123614.db2.gz BREINMVQSJDQGU-SFHVURJKSA-N 1 0 367.453 2.763 20 5 FFBDRO CC(C)(O)CCN1CC[NH+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172913555 1012125100 /nfs/dbraw/zinc/12/51/00/1012125100.db2.gz RTUFENCQUQZJEV-GOSISDBHSA-N 1 0 361.486 2.621 20 5 FFBDRO CC1(C)OC[C@@H](C[NH2+]C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)O1 ZINC001173006910 1012177119 /nfs/dbraw/zinc/17/71/19/1012177119.db2.gz CTTNGVRZRATFMM-CYBMUJFWSA-N 1 0 371.384 2.583 20 5 FFBDRO C[C@@H]1CC[C@H](CO)C[N@@H+]1C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173009338 1012179648 /nfs/dbraw/zinc/17/96/48/1012179648.db2.gz BHHSUEARBCVSLM-OLZOCXBDSA-N 1 0 369.412 2.935 20 5 FFBDRO CCCC[C@H](CO)[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173010878 1012181291 /nfs/dbraw/zinc/18/12/91/1012181291.db2.gz JYSBENZOKFWITO-CYBMUJFWSA-N 1 0 357.401 2.983 20 5 FFBDRO CCn1cnc(C[NH2+]C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)c1 ZINC001173013109 1012183844 /nfs/dbraw/zinc/18/38/44/1012183844.db2.gz OYZBVGWVHPITRE-UHFFFAOYSA-N 1 0 365.384 2.848 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH2+]CCc3cnoc3)CC2)c(F)c1 ZINC001173013595 1012184845 /nfs/dbraw/zinc/18/48/45/1012184845.db2.gz YEWORRHRACCRIP-UHFFFAOYSA-N 1 0 352.341 2.662 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(N2CCC([N@@H+]3C[C@@H]4CCO[C@@H]4C3)CC2)c(F)c1 ZINC001173015239 1012186829 /nfs/dbraw/zinc/18/68/29/1012186829.db2.gz NIJQTTZBJNRHDR-MEDUHNTESA-N 1 0 353.369 2.563 20 5 FFBDRO C[NH+]1CCC2(CC1)CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)Cc1ccccc12 ZINC000870181497 1012240892 /nfs/dbraw/zinc/24/08/92/1012240892.db2.gz MRZRXKZLWIXLQF-UHFFFAOYSA-N 1 0 354.410 2.542 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C2(C(N)=O)CCCCCC2)c1F ZINC001173178778 1012322127 /nfs/dbraw/zinc/32/21/27/1012322127.db2.gz MAXYQTAWGSQPGB-GFCCVEGCSA-N 1 0 367.421 2.841 20 5 FFBDRO CCOc1nccc(C[NH2+][C@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])n1 ZINC001173178539 1012322260 /nfs/dbraw/zinc/32/22/60/1012322260.db2.gz IHURQUGHEQYFLN-LLVKDONJSA-N 1 0 364.377 2.652 20 5 FFBDRO CCC1=NC2(CC[NH+]([C@H](C)Cc3ccc([N+](=O)[O-])cc3)CC2)C(=O)N1C ZINC001173235945 1012366880 /nfs/dbraw/zinc/36/68/80/1012366880.db2.gz CROWFFPCCMHKJM-CQSZACIVSA-N 1 0 358.442 2.641 20 5 FFBDRO C[NH+](C)C1CC(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C1 ZINC000647674787 1012562775 /nfs/dbraw/zinc/56/27/75/1012562775.db2.gz BYWKOJSOUBUOGT-UHFFFAOYSA-N 1 0 371.387 2.782 20 5 FFBDRO C[NH+](C)CCOc1ccc(/C=C/C(=O)OCc2cccnc2[N+](=O)[O-])cc1 ZINC000924185884 1017178137 /nfs/dbraw/zinc/17/81/37/1017178137.db2.gz LVBOZMJIHVCLBM-JXMROGBWSA-N 1 0 371.393 2.687 20 5 FFBDRO Cn1nnc2c1C[C@H]([NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])CC2 ZINC000927150436 1018379937 /nfs/dbraw/zinc/37/99/37/1018379937.db2.gz LRDGGZSVGHHLOG-NUEKZKHPSA-N 1 0 355.442 2.582 20 5 FFBDRO Cn1nnc2c1C[C@H]([NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)CC2 ZINC000927148636 1018381502 /nfs/dbraw/zinc/38/15/02/1018381502.db2.gz XHTBEVVLDCKWLS-OXQOHEQNSA-N 1 0 363.421 2.960 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@H]2C[C@@](CO)(c3ccccc3)C2)n1 ZINC000927157040 1018384755 /nfs/dbraw/zinc/38/47/55/1018384755.db2.gz NFOFDIKNBBCVAL-PNYFIKQUSA-N 1 0 370.453 2.957 20 5 FFBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)CCCN1CC[NH+](C(C)C)CC1)CC2 ZINC000901316351 1018947312 /nfs/dbraw/zinc/94/73/12/1018947312.db2.gz BBTSUVMHYWIJKC-UHFFFAOYSA-N 1 0 374.485 2.599 20 5 FFBDRO CN1CC[C@H]1CNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000928558994 1019024206 /nfs/dbraw/zinc/02/42/06/1019024206.db2.gz ZYNNZWHEOVWJIM-HNNXBMFYSA-N 1 0 355.394 2.608 20 5 FFBDRO O=C(CC[NH2+][C@@H]1CCc2ccccc2OC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000801575837 1019133694 /nfs/dbraw/zinc/13/36/94/1019133694.db2.gz LSWLZNLURVDPGE-MRXNPFEDSA-N 1 0 355.394 2.907 20 5 FFBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000801836642 1019433204 /nfs/dbraw/zinc/43/32/04/1019433204.db2.gz POWUJVISLNVLMR-JSGCOSHPSA-N 1 0 372.400 2.881 20 5 FFBDRO C[C@H](NC(=O)c1cc([N+](=O)[O-])c(F)cc1N)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000801950970 1019535626 /nfs/dbraw/zinc/53/56/26/1019535626.db2.gz OFDHLCJKWRBHIS-NWDGAFQWSA-N 1 0 364.421 2.699 20 5 FFBDRO C[C@@H](NC(=O)c1cc([N+](=O)[O-])c(F)cc1N)[C@H](c1ccccc1)[NH+](C)C ZINC000801952416 1019539074 /nfs/dbraw/zinc/53/90/74/1019539074.db2.gz WEXVLBVKNZBLQF-PIGZYNQJSA-N 1 0 360.389 2.737 20 5 FFBDRO COC(=O)[C@@H]1CC12CC[NH+](Cn1cc(-c3cccc([N+](=O)[O-])c3)cn1)CC2 ZINC000777955267 1020321906 /nfs/dbraw/zinc/32/19/06/1020321906.db2.gz JXKZDUHRGBDWCX-KRWDZBQOSA-N 1 0 370.409 2.691 20 5 FFBDRO Cc1c(NC(=O)[C@@H](C)N2C[C@]3(C)C[N@H+](C)C[C@]3(C)C2)cccc1[N+](=O)[O-] ZINC000931308084 1020414267 /nfs/dbraw/zinc/41/42/67/1020414267.db2.gz RCMAMRDEEGNNET-ZMYBRWDISA-N 1 0 360.458 2.504 20 5 FFBDRO C[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)N1CCCCC1 ZINC000726607455 1020492723 /nfs/dbraw/zinc/49/27/23/1020492723.db2.gz WJVQXLYYSKEBSF-OAHLLOKOSA-N 1 0 357.458 2.959 20 5 FFBDRO Cc1ccc(C(=O)c2cc(O)c(O[C@@H]3CCC[NH2+]C3)c([N+](=O)[O-])c2)cc1 ZINC001217961663 1032920161 /nfs/dbraw/zinc/92/01/61/1032920161.db2.gz ICBNWUILCQJXJY-OAHLLOKOSA-N 1 0 356.378 2.971 20 5 FFBDRO COc1cc([C@H](C)[NH2+]C[C@@H]2CCC3(CCOCC3)[C@H]2O)cc([N+](=O)[O-])c1 ZINC000903164583 1020713910 /nfs/dbraw/zinc/71/39/10/1020713910.db2.gz IVBOTBUWUFUSCR-DEYYWGMASA-N 1 0 364.442 2.822 20 5 FFBDRO O=[N+]([O-])c1cc(Br)c(F)cc1O[C@@H]1C[NH2+]CCC[C@H]1F ZINC001217977246 1032929731 /nfs/dbraw/zinc/92/97/31/1032929731.db2.gz MZSWHHGEBUEBHL-PRHODGIISA-N 1 0 351.147 2.965 20 5 FFBDRO O=[N+]([O-])c1c(I)cccc1O[C@H]1CCCC[NH2+]C1 ZINC001217976689 1032929849 /nfs/dbraw/zinc/92/98/49/1032929849.db2.gz YDRZZGWSIHVMLX-VIFPVBQESA-N 1 0 362.167 2.720 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H](CO)c2ccccc2C(F)(F)F)cc1 ZINC000933241344 1020982819 /nfs/dbraw/zinc/98/28/19/1020982819.db2.gz KRAQNBJWGNIDHV-HOTGVXAUSA-N 1 0 370.327 2.970 20 5 FFBDRO Cc1c(Cl)cc([N+](=O)[O-])c(O[C@@H]2C[NH2+]CCOC2)c1Br ZINC001218046862 1032968820 /nfs/dbraw/zinc/96/88/20/1032968820.db2.gz XLUREMBLECFEHY-MRVPVSSYSA-N 1 0 365.611 2.686 20 5 FFBDRO CN(C(=O)C[N@@H+]1CCCC[C@H]([C@H]2CCOC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000934844350 1021426496 /nfs/dbraw/zinc/42/64/96/1021426496.db2.gz YZIPSESVWNNVGW-HOTGVXAUSA-N 1 0 361.442 2.696 20 5 FFBDRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000750587888 1022212376 /nfs/dbraw/zinc/21/23/76/1022212376.db2.gz WFUJLOQWSPJRBR-UHFFFAOYSA-N 1 0 357.410 2.694 20 5 FFBDRO O=[N+]([O-])c1ccc(O[C@@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1I ZINC001218185312 1033040391 /nfs/dbraw/zinc/04/03/91/1033040391.db2.gz ZGAIYFLCTYQDAV-DOFRTFSJSA-N 1 0 374.178 2.861 20 5 FFBDRO COCC[N@H+]1[C@H](C)CN(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)C[C@@H]1C ZINC000119942254 1022619525 /nfs/dbraw/zinc/61/95/25/1022619525.db2.gz FFOFLVLWBIMOAZ-GASCZTMLSA-N 1 0 364.446 2.785 20 5 FFBDRO C[NH+]1CCC(n2cc(NC(=O)c3cc(F)c([N+](=O)[O-])cc3F)cn2)CC1 ZINC001119225032 1022622961 /nfs/dbraw/zinc/62/29/61/1022622961.db2.gz VQNISCNDTZKEJJ-UHFFFAOYSA-N 1 0 365.340 2.589 20 5 FFBDRO C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N)C[N@@H+]1Cc1ccccc1 ZINC000188328620 1023056433 /nfs/dbraw/zinc/05/64/33/1023056433.db2.gz AJKOXLSZBHKRKE-ZFWWWQNUSA-N 1 0 354.410 2.570 20 5 FFBDRO c1cnc2c(c1)ccc1ccc(CN3CC[NH2+]C[C@@]4(CCCCN4)C3)nc12 ZINC001222683725 1033111376 /nfs/dbraw/zinc/11/13/76/1033111376.db2.gz AAFVUIATHRWWNA-QFIPXVFZSA-N 1 0 361.493 2.701 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCCC[NH2+]2)cc1SC ZINC001122305548 1023177862 /nfs/dbraw/zinc/17/78/62/1023177862.db2.gz RKYGCRMVXONEGT-LLVKDONJSA-N 1 0 353.444 2.587 20 5 FFBDRO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC001122317982 1023186043 /nfs/dbraw/zinc/18/60/43/1023186043.db2.gz XDKNMZMLXHQRFR-WCQGTBRESA-N 1 0 355.847 2.679 20 5 FFBDRO O=C1N(C[N@@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)CCN1c1ccccc1[N+](=O)[O-] ZINC000752796903 1023206011 /nfs/dbraw/zinc/20/60/11/1023206011.db2.gz MSTLHQHSGDQVIK-HZPDHXFCSA-N 1 0 374.441 2.543 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)CSc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC001120388274 1023320018 /nfs/dbraw/zinc/32/00/18/1023320018.db2.gz TWBIDZONONXKHX-OFQRWUPVSA-N 1 0 363.483 2.876 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)CSc3ccc([N+](=O)[O-])cc3)C[C@H]2C1 ZINC001120388275 1023320436 /nfs/dbraw/zinc/32/04/36/1023320436.db2.gz TWBIDZONONXKHX-SQWLQELKSA-N 1 0 363.483 2.876 20 5 FFBDRO O=[N+]([O-])c1ccc(NCC[NH2+]C[C@H](O)COc2ccccc2Cl)cc1 ZINC001120469636 1023333400 /nfs/dbraw/zinc/33/34/00/1023333400.db2.gz UZYAKEBROOTXHK-HNNXBMFYSA-N 1 0 365.817 2.690 20 5 FFBDRO O=C(O[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000779212649 1023371663 /nfs/dbraw/zinc/37/16/63/1023371663.db2.gz XLXBUHLVXMAWNP-HNNXBMFYSA-N 1 0 370.361 2.755 20 5 FFBDRO O=C(N[C@@H]1C[NH+]2CCC1CC2)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001120774874 1023462402 /nfs/dbraw/zinc/46/24/02/1023462402.db2.gz WEVHKQNBCBWIQC-CQSZACIVSA-N 1 0 358.423 2.542 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)O[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001122803272 1023483754 /nfs/dbraw/zinc/48/37/54/1023483754.db2.gz WWWUHVQWZOUNSC-YOEHRIQHSA-N 1 0 372.425 2.554 20 5 FFBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)[C@@H]3CCC[C@H]4C[C@H]43)c2)CC1 ZINC001121161559 1023631737 /nfs/dbraw/zinc/63/17/37/1023631737.db2.gz YQPARZXBQIDTCE-NUEKZKHPSA-N 1 0 358.442 2.721 20 5 FFBDRO Cc1ccccc1C(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001121160838 1023631767 /nfs/dbraw/zinc/63/17/67/1023631767.db2.gz RBOXQGKAHPNRTD-UHFFFAOYSA-N 1 0 354.410 2.907 20 5 FFBDRO C[NH+](C)C1(CNc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CCCCCC1 ZINC000757508789 1023825192 /nfs/dbraw/zinc/82/51/92/1023825192.db2.gz MPAVNQQAFJLIMN-UHFFFAOYSA-N 1 0 362.430 2.992 20 5 FFBDRO O=[N+]([O-])c1cc(O[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]23)ccc1I ZINC001218461829 1033166786 /nfs/dbraw/zinc/16/67/86/1033166786.db2.gz UKBQICSVMVSAGY-ZDSQKVDBSA-N 1 0 374.178 2.576 20 5 FFBDRO CCOC(=O)Cc1ccc([N+](=O)[O-])c(O[C@H]2C[NH2+]Cc3ccccc32)c1 ZINC001218492833 1033180324 /nfs/dbraw/zinc/18/03/24/1033180324.db2.gz DJQLNPDPEHCAGR-SFHVURJKSA-N 1 0 356.378 2.924 20 5 FFBDRO Cn1c(C(=O)NCCc2ccccc2[N+](=O)[O-])ccc1[C@@H]1CCCC[NH2+]1 ZINC001121887062 1024138604 /nfs/dbraw/zinc/13/86/04/1024138604.db2.gz IZKKVUYYQWABKB-HNNXBMFYSA-N 1 0 356.426 2.720 20 5 FFBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)CCc3ccc([N+](=O)[O-])cc3Cl)C[C@@H]21 ZINC001121932269 1024181370 /nfs/dbraw/zinc/18/13/70/1024181370.db2.gz WQQJEZBEQVDYRA-IVMMDQJWSA-N 1 0 351.834 2.767 20 5 FFBDRO O=C(NCc1ccc(Br)cc1[N+](=O)[O-])[C@H]1[NH2+]CC12CCCC2 ZINC001122131771 1024369117 /nfs/dbraw/zinc/36/91/17/1024369117.db2.gz ONGNMLTVFNSYJW-CYBMUJFWSA-N 1 0 368.231 2.506 20 5 FFBDRO [NH3+][C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC[C@H]1C(F)(F)F ZINC001122160374 1024396100 /nfs/dbraw/zinc/39/61/00/1024396100.db2.gz ZOONCMVOWGVFQQ-SCZZXKLOSA-N 1 0 351.712 2.600 20 5 FFBDRO CC(C)CN(CC1CC[NH+](C)CC1)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000829563399 1033221242 /nfs/dbraw/zinc/22/12/42/1033221242.db2.gz WJOSJRICLAEZSM-UHFFFAOYSA-N 1 0 363.458 2.800 20 5 FFBDRO CC(C)CN(CC1CC[NH+](C)CC1)C(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000829578415 1033230373 /nfs/dbraw/zinc/23/03/73/1033230373.db2.gz GNTIQHSUHGEIDF-UHFFFAOYSA-N 1 0 365.478 2.881 20 5 FFBDRO CC(C)(C[NH2+]CCCCCF)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001101540254 1024885104 /nfs/dbraw/zinc/88/51/04/1024885104.db2.gz AUETZDHGQYEJIN-HZPDHXFCSA-N 1 0 357.470 2.646 20 5 FFBDRO CC[NH+]1CCN(CC(C)(C)NC(=O)/C=C(\C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000837135167 1025605240 /nfs/dbraw/zinc/60/52/40/1025605240.db2.gz PIVJVGIIVIXTKV-JQIJEIRASA-N 1 0 374.485 2.530 20 5 FFBDRO Cc1c(C(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000837186312 1025641541 /nfs/dbraw/zinc/64/15/41/1025641541.db2.gz PNEZJHGPDGODAA-ZDUSSCGKSA-N 1 0 364.402 2.675 20 5 FFBDRO CCOc1cc(C[NH+]2CCC([C@@H](O)c3ncc[nH]3)CC2)ccc1[N+](=O)[O-] ZINC000839578878 1026744523 /nfs/dbraw/zinc/74/45/23/1026744523.db2.gz APLJKIBRJPPGBM-QGZVFWFLSA-N 1 0 360.414 2.662 20 5 FFBDRO Cc1nn(C[N@@H+]2CCC[C@@H](CC(C)(C)C(N)=O)C2)c2cc([N+](=O)[O-])ccc12 ZINC000840108114 1026959255 /nfs/dbraw/zinc/95/92/55/1026959255.db2.gz IEYZQDNTMNCIRI-AWEZNQCLSA-N 1 0 373.457 2.824 20 5 FFBDRO CC[NH+](CC)Cc1cccc(CNC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)c1 ZINC001141806644 1027005244 /nfs/dbraw/zinc/00/52/44/1027005244.db2.gz QSOUWXQTDFORHQ-UHFFFAOYSA-N 1 0 365.821 2.743 20 5 FFBDRO [NH3+]CCN(c1nc(Cl)ncc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2 ZINC001159537973 1027426017 /nfs/dbraw/zinc/42/60/17/1027426017.db2.gz ARYJBKRNFQHQJL-UHFFFAOYSA-N 1 0 351.838 2.772 20 5 FFBDRO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1C[C@]23C[N@@H+](C)C[C@@]2(C1)CCCC3 ZINC001159930966 1027538137 /nfs/dbraw/zinc/53/81/37/1027538137.db2.gz VCAANIIXMYMORQ-KDURUIRLSA-N 1 0 361.417 2.990 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(NCc2ccccc2N2CC[NH2+]CC2)nc1Cl ZINC001160110266 1027595877 /nfs/dbraw/zinc/59/58/77/1027595877.db2.gz WFXSRQTVUAUXSN-UHFFFAOYSA-N 1 0 361.833 2.973 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(Nc2ccc(C[NH3+])cc2C(F)(F)F)n1 ZINC001160423438 1027700086 /nfs/dbraw/zinc/70/00/86/1027700086.db2.gz NLQNYFJFZVEKFA-UHFFFAOYSA-N 1 0 370.287 2.998 20 5 FFBDRO CCCCC1CCC(Nc2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])CC1 ZINC001160622849 1027778469 /nfs/dbraw/zinc/77/84/69/1027778469.db2.gz HQZIIHSJAZXIPP-UHFFFAOYSA-N 1 0 362.478 2.955 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)nc(NC2CC[NH+](CC3CCOCC3)CC2)c1 ZINC001161212305 1028070886 /nfs/dbraw/zinc/07/08/86/1028070886.db2.gz KXNQXYCRIILHIU-UHFFFAOYSA-N 1 0 354.838 2.946 20 5 FFBDRO C[NH+](C)[C@H]1C[C@H](NC(=O)c2cccc([N+](=O)[O-])c2Br)C1(C)C ZINC001161498237 1028202880 /nfs/dbraw/zinc/20/28/80/1028202880.db2.gz ININSBKVEBBONQ-RYUDHWBXSA-N 1 0 370.247 2.816 20 5 FFBDRO CC1(C)C[NH2+]C[C@H](CNc2ccc3c(ccc(Cl)c3[N+](=O)[O-])n2)O1 ZINC001161955708 1028374794 /nfs/dbraw/zinc/37/47/94/1028374794.db2.gz HVZDMCGKFIZGLC-SNVBAGLBSA-N 1 0 350.806 2.975 20 5 FFBDRO O=[N+]([O-])c1cc(CO)c(NCC2([NH+]3CCSCC3)CCCC2)cc1F ZINC001162140017 1028449391 /nfs/dbraw/zinc/44/93/91/1028449391.db2.gz JGDDATUMBVKGGE-UHFFFAOYSA-N 1 0 369.462 3.000 20 5 FFBDRO Cc1ccc(-c2ccc(-n3c(C[NH3+])nc4cnccc43)nn2)cc1[N+](=O)[O-] ZINC001162220253 1028472513 /nfs/dbraw/zinc/47/25/13/1028472513.db2.gz SUUVOTFWVRAWCN-UHFFFAOYSA-N 1 0 361.365 2.553 20 5 FFBDRO [NH3+]Cc1cn(-c2cnc(Cl)nc2Sc2ccc([N+](=O)[O-])cc2)cn1 ZINC001162298595 1028494533 /nfs/dbraw/zinc/49/45/33/1028494533.db2.gz KLKAKGHBRNDRII-UHFFFAOYSA-N 1 0 362.802 2.834 20 5 FFBDRO O=[N+]([O-])c1cccc2ncnc(N3CC[N@@H+]4CCc5ccccc5[C@H]4C3)c21 ZINC001155103500 1028580742 /nfs/dbraw/zinc/58/07/42/1028580742.db2.gz QDJUHMBTMHTQAJ-GOSISDBHSA-N 1 0 361.405 2.957 20 5 FFBDRO CCOC1(OCC)CC[NH2+]C[C@H]1Nc1ccc([N+](=O)[O-])c2cnccc12 ZINC001162730399 1028636873 /nfs/dbraw/zinc/63/68/73/1028636873.db2.gz XGGVUCRHAIDMKU-QGZVFWFLSA-N 1 0 360.414 2.686 20 5 FFBDRO COC(=O)Cc1ccc(-n2c3ccccc3nc2[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC001162776868 1028652015 /nfs/dbraw/zinc/65/20/15/1028652015.db2.gz FKXKLYCFDZSRNH-NSHDSACASA-N 1 0 354.366 2.669 20 5 FFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N(CC[NH2+]CC1CCCC1)CCc1ccccc1 ZINC001162810618 1028665002 /nfs/dbraw/zinc/66/50/02/1028665002.db2.gz NSNKUCYEHPAOMR-RTBURBONSA-N 1 0 359.470 2.503 20 5 FFBDRO CSc1nc(Cl)nc(Nc2ccc([C@@H](C[NH3+])CO)cc2)c1[N+](=O)[O-] ZINC001163053318 1028776068 /nfs/dbraw/zinc/77/60/68/1028776068.db2.gz POOKFKQUBXECLS-VIFPVBQESA-N 1 0 369.834 2.538 20 5 FFBDRO Cc1cc(NCC[C@H]2CCOC23C[NH2+]C3)c([N+](=O)[O-])cc1Br ZINC001163096578 1028796199 /nfs/dbraw/zinc/79/61/99/1028796199.db2.gz XAIYBXGQESRULS-NSHDSACASA-N 1 0 370.247 2.846 20 5 FFBDRO C[C@H](CN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000780763774 1028798220 /nfs/dbraw/zinc/79/82/20/1028798220.db2.gz OETHTRVLMBGZPI-CRAIPNDOSA-N 1 0 357.458 2.882 20 5 FFBDRO COc1cccc([C@H](C[NH3+])Nc2nc(Cl)nc(Cl)c2[N+](=O)[O-])c1 ZINC001163307425 1028883284 /nfs/dbraw/zinc/88/32/84/1028883284.db2.gz YRFNYYWIZBPZSN-VIFPVBQESA-N 1 0 358.185 2.812 20 5 FFBDRO [NH3+]CCCC[C@H](Nc1ccc2c(cccc2[N+](=O)[O-])n1)C(=O)N1CCCC1 ZINC001163457509 1028933505 /nfs/dbraw/zinc/93/35/05/1028933505.db2.gz ZJROKNUELMJFNP-INIZCTEOSA-N 1 0 371.441 2.675 20 5 FFBDRO COC(=O)[C@@H](Nc1ccc([N+](=O)[O-])c(OCC[NH+](C)C)c1)C(C)(C)C ZINC001163509668 1028953689 /nfs/dbraw/zinc/95/36/89/1028953689.db2.gz YNJDKAMLPRCVBC-OAHLLOKOSA-N 1 0 353.419 2.535 20 5 FFBDRO C[NH+](C)CCOc1cc(N[C@H]2CCc3[nH]c(=O)ccc3C2)ccc1[N+](=O)[O-] ZINC001163554626 1028969044 /nfs/dbraw/zinc/96/90/44/1028969044.db2.gz GGXLXFXXCYDSDD-AWEZNQCLSA-N 1 0 372.425 2.605 20 5 FFBDRO [NH3+]Cc1cc2cc(Cl)ccc2n1-c1cc([N+](=O)[O-])cc(Cl)[n+]1[O-] ZINC001155993512 1029004711 /nfs/dbraw/zinc/00/47/11/1029004711.db2.gz PXOOKLYJIJROIS-UHFFFAOYSA-N 1 0 353.165 2.938 20 5 FFBDRO CC[N@H+]1[C@H](C)CN(c2c3cc([N+](=O)[O-])ccc3ncc2[N+](=O)[O-])C[C@@H]1C ZINC001163996692 1029138361 /nfs/dbraw/zinc/13/83/61/1029138361.db2.gz PJZGAVHJHSPHSM-TXEJJXNPSA-N 1 0 359.386 2.970 20 5 FFBDRO CCOC(=O)c1cnc(NCc2cccc(C[NH+](C)C)c2)c([N+](=O)[O-])c1 ZINC001163993226 1029138499 /nfs/dbraw/zinc/13/84/99/1029138499.db2.gz PPIQMHSUYXZGLR-UHFFFAOYSA-N 1 0 358.398 2.840 20 5 FFBDRO [NH3+]CC1(N(Cc2ccccc2)c2nccc3ccc([N+](=O)[O-])cc32)COC1 ZINC001156631999 1029279404 /nfs/dbraw/zinc/27/94/04/1029279404.db2.gz LNYDUXUETBUYNN-UHFFFAOYSA-N 1 0 364.405 2.877 20 5 FFBDRO Cc1nc(N2CCC([N@@H+]3CCc4ccccc4C3)CC2)ncc1[N+](=O)[O-] ZINC001165154661 1029424598 /nfs/dbraw/zinc/42/45/98/1029424598.db2.gz NFTMZQIOYVZYFK-UHFFFAOYSA-N 1 0 353.426 2.720 20 5 FFBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N(C)[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1C ZINC001165184845 1029440145 /nfs/dbraw/zinc/44/01/45/1029440145.db2.gz YXBPZAUIUWRLPA-BEFAXECRSA-N 1 0 370.453 2.883 20 5 FFBDRO C[NH+](C)Cc1ccccc1NC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000781938843 1029483165 /nfs/dbraw/zinc/48/31/65/1029483165.db2.gz AZHTWWOHAFQNKB-SFHVURJKSA-N 1 0 368.393 2.788 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(N(Cc2ccccc2)[C@H]2CCC[NH2+]C2)n1 ZINC001157433395 1029585125 /nfs/dbraw/zinc/58/51/25/1029585125.db2.gz LUDRPFVFKCYQHJ-HNNXBMFYSA-N 1 0 370.409 2.535 20 5 FFBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@H](CC[NH3+])c2ccccc21 ZINC001157746213 1029655111 /nfs/dbraw/zinc/65/51/11/1029655111.db2.gz OCZBCVFUIQZHEA-LBPRGKRZSA-N 1 0 356.382 2.751 20 5 FFBDRO O=C(CC[NH2+][C@@H](CO)c1ccc(F)cc1)Nc1cc([N+](=O)[O-])ccc1F ZINC000782532001 1029734221 /nfs/dbraw/zinc/73/42/21/1029734221.db2.gz VDCWBCDZHYDYMU-INIZCTEOSA-N 1 0 365.336 2.525 20 5 FFBDRO COc1cc(N(c2nc(C)cc(C)c2[N+](=O)[O-])C2CC[NH2+]CC2)ccn1 ZINC001158331286 1029800236 /nfs/dbraw/zinc/80/02/36/1029800236.db2.gz KMCNGODNEBBVHH-UHFFFAOYSA-N 1 0 357.414 2.900 20 5 FFBDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cn3cnc4cc(F)c(F)cc43)CC2)n1 ZINC000782858536 1029838745 /nfs/dbraw/zinc/83/87/45/1029838745.db2.gz ATBKCAJSJXXXMA-UHFFFAOYSA-N 1 0 362.340 2.714 20 5 FFBDRO Cc1ccc(-c2ccc(N3CC[C@]4(C3)CCC[NH2+]C4)nn2)cc1[N+](=O)[O-] ZINC001165239219 1029909366 /nfs/dbraw/zinc/90/93/66/1029909366.db2.gz LPFUNMUACHWWMG-LJQANCHMSA-N 1 0 353.426 2.940 20 5 FFBDRO COC(=O)COc1c(C)cc(NCC[C@@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC001165300104 1029935933 /nfs/dbraw/zinc/93/59/33/1029935933.db2.gz HKSSBGWFVJOJMV-AWEZNQCLSA-N 1 0 365.430 2.599 20 5 FFBDRO CC(C)(C)N(c1ncc([N+](=O)[O-])cc1F)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001165670233 1030076207 /nfs/dbraw/zinc/07/62/07/1030076207.db2.gz PLOPVHDQAWEXAE-ZDUSSCGKSA-N 1 0 352.410 2.645 20 5 FFBDRO O=[N+]([O-])c1cnc(-n2nc(-c3ccc(F)cc3)c3c2CC[NH2+]CC3)c(F)c1 ZINC001165822285 1030136418 /nfs/dbraw/zinc/13/64/18/1030136418.db2.gz WRWCGHSRUWHVGT-UHFFFAOYSA-N 1 0 371.347 2.809 20 5 FFBDRO CC(C)[NH+]1CCC(CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC001166635798 1030463046 /nfs/dbraw/zinc/46/30/46/1030463046.db2.gz HFXGRJCONSMXLM-UHFFFAOYSA-N 1 0 355.460 2.531 20 5 FFBDRO O=[N+]([O-])c1ccc2c(ccnc2-n2cc3c(cccc3N3CC[NH2+]CC3)n2)c1 ZINC001166993923 1030602500 /nfs/dbraw/zinc/60/25/00/1030602500.db2.gz WZKWZGBIDTWZBU-UHFFFAOYSA-N 1 0 374.404 2.892 20 5 FFBDRO C[C@@H]1CC2(C[N@@H+]1Cn1cnc(-c3cccc([N+](=O)[O-])c3)n1)CCOCC2 ZINC000842639141 1030867218 /nfs/dbraw/zinc/86/72/18/1030867218.db2.gz OWZLTWZVMOEOAK-CQSZACIVSA-N 1 0 357.414 2.702 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc(CC3CC[NH2+]CC3)no2)c1 ZINC000843135614 1031202296 /nfs/dbraw/zinc/20/22/96/1031202296.db2.gz MVJNUYDIFDUDLA-UHFFFAOYSA-N 1 0 357.414 2.787 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(Cc2noc(CC3C[C@H]4CC[C@@H](C3)[NH2+]4)n2)c1 ZINC000843223358 1031255421 /nfs/dbraw/zinc/25/54/21/1031255421.db2.gz QHLLOSVSXMLSFO-QXMXGUDHSA-N 1 0 358.398 2.650 20 5 FFBDRO O=C(N[C@H]1CC[NH2+]C2(CCC2)C1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000843508816 1031435624 /nfs/dbraw/zinc/43/56/24/1031435624.db2.gz YUKXEVRXKVQPIR-AWEZNQCLSA-N 1 0 358.442 2.600 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CC[N@H+](Cc2cccc(C)c2)C1 ZINC001149847445 1031606312 /nfs/dbraw/zinc/60/63/12/1031606312.db2.gz MWWMELFBXQFTPY-MRXNPFEDSA-N 1 0 369.421 2.916 20 5 FFBDRO C[C@@H]1CN(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H](C)[N@H+]1CCO ZINC001205890527 1032050076 /nfs/dbraw/zinc/05/00/76/1032050076.db2.gz SRFHOCHPJDFJIJ-TXEJJXNPSA-N 1 0 361.364 2.501 20 5 FFBDRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000829791432 1033337122 /nfs/dbraw/zinc/33/71/22/1033337122.db2.gz DHZJYZRNKDJQFU-CCKFTAQKSA-N 1 0 366.421 2.831 20 5 FFBDRO COC(=O)c1cccc2[nH]c([C@](F)(Cl)O[C@H](C)C[N+](C)(C)C)nc21 ZINC001223402747 1033428477 /nfs/dbraw/zinc/42/84/77/1033428477.db2.gz HDPKBOWWQBHCAB-QLJPJBMISA-O 1 0 358.821 2.779 20 5 FFBDRO COc1ccc(COC[C@H]2CCC3(CC[NH+](C)CC3)O2)cc1[N+](=O)[O-] ZINC001223650324 1033535981 /nfs/dbraw/zinc/53/59/81/1033535981.db2.gz DWXGTKRNKLYVML-OAHLLOKOSA-N 1 0 350.415 2.763 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000830456879 1033621299 /nfs/dbraw/zinc/62/12/99/1033621299.db2.gz MWQPOFULZMFYPN-HIFRSBDPSA-N 1 0 367.446 2.782 20 5 FFBDRO CC(C)[N@@H+]1CCC[C@H](NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)C1 ZINC001138093726 1033733952 /nfs/dbraw/zinc/73/39/52/1033733952.db2.gz WCCKJKZBMWOQGT-VIFPVBQESA-N 1 0 358.801 2.572 20 5 FFBDRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000830729541 1033767890 /nfs/dbraw/zinc/76/78/90/1033767890.db2.gz WMJLXYSLANKICA-CCKFTAQKSA-N 1 0 371.437 2.744 20 5 FFBDRO CCC1([NH2+]CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCCC1 ZINC000830782613 1033782578 /nfs/dbraw/zinc/78/25/78/1033782578.db2.gz MKLYQRMVHHHDKO-UHFFFAOYSA-N 1 0 360.458 2.556 20 5 FFBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)N[C@@H]3C[C@H]3C3CCC3)c2)CC1 ZINC001220189259 1034031882 /nfs/dbraw/zinc/03/18/82/1034031882.db2.gz RUOSVODPCQNRSJ-JKSUJKDBSA-N 1 0 373.457 2.657 20 5 FFBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cc(Br)c(F)cc1Cl ZINC001226758296 1034823226 /nfs/dbraw/zinc/82/32/26/1034823226.db2.gz AISSGHLQZLGICR-MRVPVSSYSA-N 1 0 369.638 2.604 20 5 FFBDRO CCOc1cccc(C[N@H+](CCO)C[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000832659927 1034898944 /nfs/dbraw/zinc/89/89/44/1034898944.db2.gz NHLJGKJMYYVUJI-IBGZPJMESA-N 1 0 360.410 2.521 20 5 FFBDRO CCOc1cccc(C[N@H+](CCO)C[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000832660257 1034899311 /nfs/dbraw/zinc/89/93/11/1034899311.db2.gz STHVRCUDTUVFDD-IBGZPJMESA-N 1 0 360.410 2.521 20 5 FFBDRO COC(=O)c1cccc([N+](=O)[O-])c1O[C@@H]1CC[N@@H+]([C@H](C)c2ccccn2)C1 ZINC001227123814 1034941352 /nfs/dbraw/zinc/94/13/52/1034941352.db2.gz HHCRRWAUPFAIKH-ZIAGYGMSSA-N 1 0 371.393 2.991 20 5 FFBDRO C[NH+](C)C1CCC(Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001227497458 1035585069 /nfs/dbraw/zinc/58/50/69/1035585069.db2.gz CPBYHKODDUVSIM-UHFFFAOYSA-N 1 0 354.319 2.663 20 5 FFBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc2c(n1)CCN(C(=O)OC(C)(C)C)C2 ZINC001229182027 1036538031 /nfs/dbraw/zinc/53/80/31/1036538031.db2.gz UKWBYZSBSRXXKI-AWEZNQCLSA-N 1 0 350.483 2.848 20 5 FFBDRO O=[N+]([O-])c1ccc(O[C@H]2CC[C@H]([NH+]3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC001233702717 1036724875 /nfs/dbraw/zinc/72/48/75/1036724875.db2.gz PMYNSIDBEIZENQ-JOCQHMNTSA-N 1 0 351.359 2.525 20 5 FFBDRO CC/C=C\CCOC(=O)c1ccccc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001234147156 1036939411 /nfs/dbraw/zinc/93/94/11/1036939411.db2.gz NIJONIXFDUFGQA-MWWKQMNYSA-N 1 0 364.462 2.562 20 5 FFBDRO COc1c(O)cc(OC2CC[NH+](C)CC2)c2c(=O)c3ccccc3n(C)c12 ZINC001234173654 1036955947 /nfs/dbraw/zinc/95/59/47/1036955947.db2.gz FWTADYVZSJGGBT-UHFFFAOYSA-N 1 0 368.433 2.879 20 5 FFBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(Cl)nc1I ZINC001229959051 1036983933 /nfs/dbraw/zinc/98/39/33/1036983933.db2.gz XQUZPGOTMRJHTB-QMMMGPOBSA-N 1 0 355.627 2.813 20 5 FFBDRO C[C@@H]1[C@H](C)N(C(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)[C@@H](C)C[N@@H+]1C ZINC001277849083 1036996524 /nfs/dbraw/zinc/99/65/24/1036996524.db2.gz INLZDARVKDPYQY-XQQFMLRXSA-N 1 0 356.426 2.883 20 5 FFBDRO Cc1ccc(CNC(=O)N[C@@H](CC[NH+](C)C)c2cccnc2)cc1[N+](=O)[O-] ZINC001234582858 1037100591 /nfs/dbraw/zinc/10/05/91/1037100591.db2.gz RVQURUYRXFIDDY-KRWDZBQOSA-N 1 0 371.441 2.790 20 5 FFBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccc([N+](=O)[O-])c(OCC)c1 ZINC001207137303 1037179426 /nfs/dbraw/zinc/17/94/26/1037179426.db2.gz BYDBMKLQBACKMH-AWEZNQCLSA-N 1 0 350.419 2.989 20 5 FFBDRO COCCC[NH+]1CCC(Oc2ccc(C)c([N+](=O)[O-])c2[N+](=O)[O-])CC1 ZINC001230490455 1037293359 /nfs/dbraw/zinc/29/33/59/1037293359.db2.gz BVMKQONNBAKABG-UHFFFAOYSA-N 1 0 353.375 2.691 20 5 FFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC001536918880 1070085980 /nfs/dbraw/zinc/08/59/80/1070085980.db2.gz VEZUAOGTEFPIDP-APWZRJJASA-N 1 0 366.421 2.645 20 5 FFBDRO COc1cc(N2CCC([NH2+]CCc3ccncc3)CC2)ccc1[N+](=O)[O-] ZINC001256082922 1038367773 /nfs/dbraw/zinc/36/77/73/1038367773.db2.gz NULNDBIBURIPPX-UHFFFAOYSA-N 1 0 356.426 2.800 20 5 FFBDRO COc1cc(N2CCC([NH2+][C@@H](C)CN3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC001256085275 1038370124 /nfs/dbraw/zinc/37/01/24/1038370124.db2.gz MQHSTGFTTLAEGG-HNNXBMFYSA-N 1 0 362.474 2.646 20 5 FFBDRO COc1cc(N2CCC([NH2+]C[C@@H]3CCCCN3C)CC2)ccc1[N+](=O)[O-] ZINC001256085426 1038370237 /nfs/dbraw/zinc/37/02/37/1038370237.db2.gz OMBBOLHKIKFICI-KRWDZBQOSA-N 1 0 362.474 2.646 20 5 FFBDRO COc1cc(N2CCC([NH2+][C@@H]3C[C@]34CCCOC4)CC2)ccc1[N+](=O)[O-] ZINC001256092634 1038376783 /nfs/dbraw/zinc/37/67/83/1038376783.db2.gz TVNHNSUIOVGWBS-MOPGFXCFSA-N 1 0 361.442 2.731 20 5 FFBDRO COc1cc(N2CCC([N@@H+]3CC[C@H]4COC[C@@H]4C3)CC2)ccc1[N+](=O)[O-] ZINC001256100852 1038383683 /nfs/dbraw/zinc/38/36/83/1038383683.db2.gz QPUCFKRHTTUJKT-GJZGRUSLSA-N 1 0 361.442 2.541 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(-c2nc3cc(C[NH+](C)C)ccc3[nH]2)c1 ZINC001251001790 1038889761 /nfs/dbraw/zinc/88/97/61/1038889761.db2.gz ZKQHOLCFUQJKPG-UHFFFAOYSA-N 1 0 354.366 2.986 20 5 FFBDRO C[C@H]1C[NH+](CCc2nnc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C[C@H](C)O1 ZINC001258146638 1039226464 /nfs/dbraw/zinc/22/64/64/1039226464.db2.gz QAMRUINBCSQSKN-QWRGUYRKSA-N 1 0 366.805 2.950 20 5 FFBDRO Cc1cc(F)c(-c2nnc(CC[NH+]3C[C@@H](C)O[C@H](C)C3)o2)cc1[N+](=O)[O-] ZINC001258154643 1039233796 /nfs/dbraw/zinc/23/37/96/1039233796.db2.gz XLHYQYWJUFBETR-VXGBXAGGSA-N 1 0 364.377 2.744 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC001246201656 1039278264 /nfs/dbraw/zinc/27/82/64/1039278264.db2.gz INGBUIZUAQWDIO-HOCLYGCPSA-N 1 0 365.474 2.955 20 5 FFBDRO c1cnc2c(c1)ccc1ccc(-c3noc(C[C@H]4C[C@H]5C[NH2+]C[C@H]5O4)n3)nc12 ZINC001247830202 1039977276 /nfs/dbraw/zinc/97/72/76/1039977276.db2.gz FTFHIOBTFLCXSI-ZMSDIMECSA-N 1 0 373.416 2.752 20 5 FFBDRO C[NH+](C)CC[C@@H](NC(=O)NCCc1ccccc1[N+](=O)[O-])c1cccnc1 ZINC001248186341 1040165607 /nfs/dbraw/zinc/16/56/07/1040165607.db2.gz ZPKAQZZCLNEBRY-QGZVFWFLSA-N 1 0 371.441 2.525 20 5 FFBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc(C2(c3ccccc3)CC[NH2+]CC2)n1 ZINC001248204517 1040170812 /nfs/dbraw/zinc/17/08/12/1040170812.db2.gz XQKWJRRFYJILMV-UHFFFAOYSA-N 1 0 369.356 2.848 20 5 FFBDRO Cc1cccc(Cc2nc(-c3ccc4c(n3)CC[NH2+]C4)no2)c1[N+](=O)[O-] ZINC001211429906 1040190172 /nfs/dbraw/zinc/19/01/72/1040190172.db2.gz LDWWUNQIELVWFW-UHFFFAOYSA-N 1 0 351.366 2.585 20 5 FFBDRO COc1ccc(OC)c(-c2noc(C[C@@H]([NH3+])c3ccc([N+](=O)[O-])cc3)n2)c1 ZINC001249342173 1040691808 /nfs/dbraw/zinc/69/18/08/1040691808.db2.gz FRKJQSXGVSMWME-OAHLLOKOSA-N 1 0 370.365 2.905 20 5 FFBDRO Nc1ccc([C@H](CCO)[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC001254469866 1040737739 /nfs/dbraw/zinc/73/77/39/1040737739.db2.gz ABICMVNZSQNRMI-FQEVSTJZSA-N 1 0 370.453 2.859 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3C[C@@H]4COC[C@H](C3)C4(F)F)CC2)cc1 ZINC001254480122 1040747410 /nfs/dbraw/zinc/74/74/10/1040747410.db2.gz AOGJGSZNPXMAGK-OKILXGFUSA-N 1 0 367.396 2.777 20 5 FFBDRO COC[C@H](C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC001254539886 1040788470 /nfs/dbraw/zinc/78/84/70/1040788470.db2.gz LHODKGHFYDGGFF-ZFWWWQNUSA-N 1 0 367.446 2.655 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N1CC[N@H+](Cc2ccccc2)[C@H](CO)C1 ZINC001254550987 1040792230 /nfs/dbraw/zinc/79/22/30/1040792230.db2.gz UXMUGNRTCIOWSM-XLIONFOSSA-N 1 0 369.465 2.705 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1C[C@H]2CN(Cc3cccnc3)C[C@@H]2C1 ZINC001254561859 1040799118 /nfs/dbraw/zinc/79/91/18/1040799118.db2.gz MXXGTEIHYXXHGI-NSISKUIASA-N 1 0 366.465 2.985 20 5 FFBDRO CCN(C)c1ncnc2c1CC[N@@H+]([C@H](C)Cc1ccccc1[N+](=O)[O-])CC2 ZINC001254563034 1040800210 /nfs/dbraw/zinc/80/02/10/1040800210.db2.gz WMJMUIWMIRPJHG-OAHLLOKOSA-N 1 0 369.469 2.873 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1C[C@@H]2CN(Cc3cccnc3)C[C@H]2C1 ZINC001254561860 1040800501 /nfs/dbraw/zinc/80/05/01/1040800501.db2.gz MXXGTEIHYXXHGI-UXPWSPDFSA-N 1 0 366.465 2.985 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCC(NC(=O)N2CCCC2)CC1 ZINC001254571369 1040807237 /nfs/dbraw/zinc/80/72/37/1040807237.db2.gz UAMVJNQKNOKKAQ-HNNXBMFYSA-N 1 0 360.458 2.796 20 5 FFBDRO O=C(c1ccccc1)N1CCC([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254572498 1040808287 /nfs/dbraw/zinc/80/82/87/1040808287.db2.gz OXYDUPVVVAGJAO-IBGZPJMESA-N 1 0 365.433 2.956 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]C[C@@H]1CN(c3ccccc3)CCO1)C2 ZINC001254578164 1040812494 /nfs/dbraw/zinc/81/24/94/1040812494.db2.gz BCBKWDFSOYYZDG-FXAWDEMLSA-N 1 0 353.422 2.557 20 5 FFBDRO O=C1NCCCN1c1ccc(C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC001254587263 1040818745 /nfs/dbraw/zinc/81/87/45/1040818745.db2.gz OKNXGAOSKPBQFA-KRWDZBQOSA-N 1 0 366.421 2.772 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH+]1C[C@H]3CN(Cc4nccs4)C[C@@H]3C1)C2 ZINC001254594305 1040822808 /nfs/dbraw/zinc/82/28/08/1040822808.db2.gz DGCVBYUSYZJILB-JFIYKMOQSA-N 1 0 370.478 2.582 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CC[C@H]3[C@H]1CCN3Cc1cccnc1)C2 ZINC001254596048 1040824438 /nfs/dbraw/zinc/82/44/38/1040824438.db2.gz MLCVYZMRILUXJU-QHAWAJNXSA-N 1 0 364.449 2.806 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H](N1CCn3cnc(COCC4CC4)c3C1)C2 ZINC001254595570 1040825012 /nfs/dbraw/zinc/82/50/12/1040825012.db2.gz ITNQHLQCSYTRML-SFHVURJKSA-N 1 0 368.437 2.701 20 5 FFBDRO CC(C)Oc1ncnc2c1CC[N@@H+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)CC2 ZINC001254597593 1040827197 /nfs/dbraw/zinc/82/71/97/1040827197.db2.gz TWDNACCMJJHNQO-KRWDZBQOSA-N 1 0 368.437 2.740 20 5 FFBDRO COc1ccc(CC[N@H+](C[C@@H](C)O)[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC001254599667 1040830745 /nfs/dbraw/zinc/83/07/45/1040830745.db2.gz OGTNVLYBAYRZBI-QRWLVFNGSA-N 1 0 370.449 2.996 20 5 FFBDRO Cc1cc(O[C@@H]2CCC[N@@H+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)ncn1 ZINC001254610335 1040838907 /nfs/dbraw/zinc/83/89/07/1040838907.db2.gz JQOQRMZIKMLXIF-ZWKOTPCHSA-N 1 0 354.410 2.704 20 5 FFBDRO COc1cccc(O[C@@H]2CC[N@@H+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)n1 ZINC001254610256 1040839954 /nfs/dbraw/zinc/83/99/54/1040839954.db2.gz ISCXLIFGQDZQNH-IAGOWNOFSA-N 1 0 355.394 2.619 20 5 FFBDRO CC[NH+](CC)C1CCN(C(=O)c2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC001261253996 1041101474 /nfs/dbraw/zinc/10/14/74/1041101474.db2.gz VOPLMNNUTTZIDJ-UHFFFAOYSA-N 1 0 353.394 2.689 20 5 FFBDRO Cc1nc(NCC2([N@H+](C)Cc3ccccc3)CCOCC2)ncc1[N+](=O)[O-] ZINC001262374849 1041663750 /nfs/dbraw/zinc/66/37/50/1041663750.db2.gz QXIXVSHMYXLQPT-UHFFFAOYSA-N 1 0 371.441 2.786 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@@H](O)c2ccc(C(F)(F)F)cc2)cc1 ZINC001262596063 1041744119 /nfs/dbraw/zinc/74/41/19/1041744119.db2.gz QSLRMMPXFCBLNJ-HZPDHXFCSA-N 1 0 370.327 2.970 20 5 FFBDRO CCOc1ccc(C(=O)N2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)cc1[N+](=O)[O-] ZINC001262808400 1041869368 /nfs/dbraw/zinc/86/93/68/1041869368.db2.gz BCULIQYXQCMNBS-JYJNAYRXSA-N 1 0 361.442 2.796 20 5 FFBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)C3CC4(CCC4)C3)c2)CC1 ZINC001262812246 1041872063 /nfs/dbraw/zinc/87/20/63/1041872063.db2.gz POQPRQMDFDERSN-UHFFFAOYSA-N 1 0 358.442 2.865 20 5 FFBDRO Cc1ccc([C@H](C)NC(=O)c2ccc3c(c2)OCC[NH2+]C3)cc1[N+](=O)[O-] ZINC001263091294 1042096534 /nfs/dbraw/zinc/09/65/34/1042096534.db2.gz JQROSNQVWTVIAS-ZDUSSCGKSA-N 1 0 355.394 2.876 20 5 FFBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC001263193509 1042162324 /nfs/dbraw/zinc/16/23/24/1042162324.db2.gz KJTLNCGQRSURDX-GHMZBOCLSA-N 1 0 363.361 2.668 20 5 FFBDRO Cc1cc(NC(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC001311321798 1043885023 /nfs/dbraw/zinc/88/50/23/1043885023.db2.gz ZLVKOYVOVBRJLX-OKILXGFUSA-N 1 0 350.419 2.524 20 5 FFBDRO CC[N@@H+]1CC[C@@H](Cn2c(C)nnc2N(C)CCc2ccccc2[N+](=O)[O-])C1 ZINC001313883911 1044436871 /nfs/dbraw/zinc/43/68/71/1044436871.db2.gz LENHOZJULMPVPT-MRXNPFEDSA-N 1 0 372.473 2.515 20 5 FFBDRO CON(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[NH+]1CCCCCC1 ZINC001316305999 1044754007 /nfs/dbraw/zinc/75/40/07/1044754007.db2.gz VHTRTQHFYMOTEE-UHFFFAOYSA-N 1 0 374.445 2.727 20 5 FFBDRO CCC1([NH2+]Cc2cc(C)ccc2F)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001281004606 1044791800 /nfs/dbraw/zinc/79/18/00/1044791800.db2.gz QYVOOFZCFGXZHW-NVXWUHKLSA-N 1 0 363.433 2.660 20 5 FFBDRO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC001318956378 1044957906 /nfs/dbraw/zinc/95/79/06/1044957906.db2.gz JDLGZUZGAVCKOR-STQMWFEESA-N 1 0 370.247 2.960 20 5 FFBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCC[N@H+]1C ZINC001539396566 1070629689 /nfs/dbraw/zinc/62/96/89/1070629689.db2.gz NCXMVNNEUOGGGJ-NSHDSACASA-N 1 0 370.247 2.880 20 5 FFBDRO C[N@@H+]1CCCC[C@H]1CNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC001539397627 1070631126 /nfs/dbraw/zinc/63/11/26/1070631126.db2.gz VEANEKQBKZMJLL-ZDUSSCGKSA-N 1 0 355.822 2.618 20 5 FFBDRO C[N@@H+]1CC[C@H](NC(=O)NCc2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(F)cc1 ZINC001319691116 1045240757 /nfs/dbraw/zinc/24/07/57/1045240757.db2.gz NAAVHYQBGHARSX-ZWKOTPCHSA-N 1 0 372.400 2.979 20 5 FFBDRO CS[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2Br)C[C@H]1[NH+](C)C ZINC001320533534 1045425169 /nfs/dbraw/zinc/42/51/69/1045425169.db2.gz MCDMGVCPGOKASQ-ZIAGYGMSSA-N 1 0 374.304 2.835 20 5 FFBDRO C[C@@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC001539736331 1070689390 /nfs/dbraw/zinc/68/93/90/1070689390.db2.gz FAJOGNMFDFKJSX-ZIAGYGMSSA-N 1 0 367.421 2.834 20 5 FFBDRO O=C(OCc1nc2cc([N+](=O)[O-])ccc2o1)c1ccn(-c2ccncc2)n1 ZINC001324685701 1046167025 /nfs/dbraw/zinc/16/70/25/1046167025.db2.gz ICAQVOBWQORAOS-UHFFFAOYSA-N 1 0 365.305 2.674 20 5 FFBDRO CC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC001324864879 1046260938 /nfs/dbraw/zinc/26/09/38/1046260938.db2.gz WMQIPOBOLNIGIR-HZPDHXFCSA-N 1 0 365.861 2.724 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CCC[N@H+](CC)C1 ZINC001325142179 1046390168 /nfs/dbraw/zinc/39/01/68/1046390168.db2.gz BDWQRNPTOVYUBF-ZDUSSCGKSA-N 1 0 350.419 2.847 20 5 FFBDRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC001325221120 1046422748 /nfs/dbraw/zinc/42/27/48/1046422748.db2.gz ZJIXLXCKCDUFCM-AWEZNQCLSA-N 1 0 367.421 2.739 20 5 FFBDRO C/C=C/C=C\C(=O)N(C)c1cc([N+](=O)[O-])cc(N2CC[NH+](CC)CC2)c1 ZINC001287672224 1047336771 /nfs/dbraw/zinc/33/67/71/1047336771.db2.gz YDARHZCXMIHPTG-AQXDOAQYSA-N 1 0 358.442 2.832 20 5 FFBDRO C[NH+]1CCC([C@@H]2CCN(C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)C2)CC1 ZINC001331302803 1047851777 /nfs/dbraw/zinc/85/17/77/1047851777.db2.gz IVNGTUASWKFXLI-CYBMUJFWSA-N 1 0 350.394 2.930 20 5 FFBDRO C[C@H](CC(=O)OC(C)(C)C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC001331710601 1048074615 /nfs/dbraw/zinc/07/46/15/1048074615.db2.gz BAAHIYRBTBHIBM-CYBMUJFWSA-N 1 0 364.446 2.669 20 5 FFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C3CCN(c4cccc(F)c4)CC3)C2)c1 ZINC001331725366 1048083054 /nfs/dbraw/zinc/08/30/54/1048083054.db2.gz NBWQAMOEMYHDBW-UHFFFAOYSA-N 1 0 359.405 2.893 20 5 FFBDRO O=C(c1ccccc1)N1CCC[C@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001331962485 1048188391 /nfs/dbraw/zinc/18/83/91/1048188391.db2.gz IADKBPMQNGELSM-PKOBYXMFSA-N 1 0 369.421 2.523 20 5 FFBDRO CN1CC[NH+](CC2CCN(c3ncc([N+](=O)[O-])c4ccccc43)CC2)CC1 ZINC001332197486 1048296848 /nfs/dbraw/zinc/29/68/48/1048296848.db2.gz LPGKKACSSHDQII-UHFFFAOYSA-N 1 0 369.469 2.607 20 5 FFBDRO CC(C)n1ncc2c1[C@@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])CCC2 ZINC001329139598 1048592798 /nfs/dbraw/zinc/59/27/98/1048592798.db2.gz AYJBHBLXOHHRFQ-HOTGVXAUSA-N 1 0 374.441 2.779 20 5 FFBDRO C[C@@H](CNC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)[N@@H+]1CCCC[C@H]1C ZINC001540833306 1071014785 /nfs/dbraw/zinc/01/47/85/1071014785.db2.gz LUMTUHRXJKXOCW-KGLIPLIRSA-N 1 0 371.441 2.978 20 5 FFBDRO Cc1nc(Nc2ccc(N3CC[N@@H+]4CCC[C@@H]4C3)cc2)ncc1[N+](=O)[O-] ZINC001333587389 1048992341 /nfs/dbraw/zinc/99/23/41/1048992341.db2.gz JPYIKULFFSUOGM-MRXNPFEDSA-N 1 0 354.414 2.721 20 5 FFBDRO C[C@H]([NH2+]C(C)(C)CNC(=O)c1[nH]nc([N+](=O)[O-])c1Cl)c1ccccc1 ZINC001292835594 1049410370 /nfs/dbraw/zinc/41/03/70/1049410370.db2.gz KLPSPFOIIBSHOW-JTQLQIEISA-N 1 0 365.821 2.831 20 5 FFBDRO [NH3+][C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C[C@H]1c1ccccc1F ZINC001340482449 1050878184 /nfs/dbraw/zinc/87/81/84/1050878184.db2.gz FMQMSRHXFUMPLY-VXIBKDFQSA-N 1 0 369.396 2.791 20 5 FFBDRO O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC2(C[NH2+]C2)CC1 ZINC001340691071 1051058703 /nfs/dbraw/zinc/05/87/03/1051058703.db2.gz HHDJCTZMJJJVRO-UHFFFAOYSA-N 1 0 358.423 2.544 20 5 FFBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC001340941511 1051272839 /nfs/dbraw/zinc/27/28/39/1051272839.db2.gz WYBHNBIWJKVTCH-KWQFWETISA-N 1 0 363.361 2.526 20 5 FFBDRO CC[C@H]1CN(c2nnc([C@H](C)[N+](=O)[O-])n2CC)CC[N@@H+]1Cc1ccccc1 ZINC001341000718 1051337387 /nfs/dbraw/zinc/33/73/87/1051337387.db2.gz DEKJDMXFUGJNMI-RDJZCZTQSA-N 1 0 372.473 2.737 20 5 FFBDRO C[C@H]1[C@@H](NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC001303800977 1051449807 /nfs/dbraw/zinc/44/98/07/1051449807.db2.gz KHPOSVGFDNCRIL-HOCLYGCPSA-N 1 0 360.458 2.654 20 5 FFBDRO Cc1cc(F)cc(C(=O)N[C@H]2C[C@@](C[NH3+])(c3ccccc3)C2)c1[N+](=O)[O-] ZINC001342855731 1051464088 /nfs/dbraw/zinc/46/40/88/1051464088.db2.gz ABERTWKWEWWHRC-GLRZTSSQSA-N 1 0 357.385 2.831 20 5 FFBDRO CC(C)Cn1c(-c2ccc([N+](=O)[O-])o2)nnc1N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC001342989091 1051605226 /nfs/dbraw/zinc/60/52/26/1051605226.db2.gz VPVVEIQODFYXKR-ZIAGYGMSSA-N 1 0 374.445 2.633 20 5 FFBDRO Cc1ccc(NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)c(N)c1[N+](=O)[O-] ZINC001304501296 1051626181 /nfs/dbraw/zinc/62/61/81/1051626181.db2.gz SZRWFQABGRANKH-CYBMUJFWSA-N 1 0 364.471 2.641 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1C[C@H](C[C@H]2COCC[NH2+]2)c2ccccc21 ZINC001341360660 1051718884 /nfs/dbraw/zinc/71/88/84/1051718884.db2.gz QFMZDLFFTSYLGQ-HOTGVXAUSA-N 1 0 367.405 2.717 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)NCCc3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC001343139120 1051761918 /nfs/dbraw/zinc/76/19/18/1051761918.db2.gz JCCOQBYITVDPMV-IXDOHACOSA-N 1 0 360.458 2.509 20 5 FFBDRO O=C(NCCc1ccccc1[N+](=O)[O-])c1cnc(CC2CC[NH2+]CC2)s1 ZINC001343298372 1052144465 /nfs/dbraw/zinc/14/44/65/1052144465.db2.gz HKLCBBVSBGFIBR-UHFFFAOYSA-N 1 0 374.466 2.566 20 5 FFBDRO COc1cc(C(=O)N2CCC3(CCC[C@@H]3C[NH3+])CC2)cc([N+](=O)[O-])c1C ZINC001343541735 1052294888 /nfs/dbraw/zinc/29/48/88/1052294888.db2.gz ZSIJRDIJKZPCIJ-OAHLLOKOSA-N 1 0 361.442 2.893 20 5 FFBDRO CC1(C)CO[C@H](C[N@@H+]2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)C1 ZINC001307665653 1052332883 /nfs/dbraw/zinc/33/28/83/1052332883.db2.gz ZSKOHPAGJJIPRD-HNNXBMFYSA-N 1 0 373.457 2.798 20 5 FFBDRO COc1ccc(OCC[N@@H+](C)[C@H]2C[C@@H](OC)C23CCC3)c([N+](=O)[O-])c1 ZINC001307772090 1052348127 /nfs/dbraw/zinc/34/81/27/1052348127.db2.gz QOBSCICIJDJVLT-DLBZAZTESA-N 1 0 350.415 2.872 20 5 FFBDRO COc1cccc([C@H]2CN(Cc3cc([N+](=O)[O-])ccc3OC)CC[NH2+]2)c1 ZINC001308022615 1052386861 /nfs/dbraw/zinc/38/68/61/1052386861.db2.gz QAVAGBHJVHHNLA-GOSISDBHSA-N 1 0 357.410 2.759 20 5 FFBDRO COC(=O)C[C@@H]1C[N@@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1C ZINC001308081243 1052402625 /nfs/dbraw/zinc/40/26/25/1052402625.db2.gz GKQNSYPAMKQLMR-MBNYWOFBSA-N 1 0 374.397 2.837 20 5 FFBDRO COc1cc(C[NH2+][C@H](C)c2ccc(NC(N)=O)cc2)c([N+](=O)[O-])cc1O ZINC001308262004 1052438545 /nfs/dbraw/zinc/43/85/45/1052438545.db2.gz UUDVOHNKGCNISX-SNVBAGLBSA-N 1 0 360.370 2.650 20 5 FFBDRO O=[N+]([O-])c1cccc(Br)c1C[NH2+]CCCOC[C@@H]1CCOC1 ZINC001308282595 1052441678 /nfs/dbraw/zinc/44/16/78/1052441678.db2.gz RMGGUJLJDVMFLZ-LBPRGKRZSA-N 1 0 373.247 2.890 20 5 FFBDRO COc1ccc(NC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC001345728341 1052590912 /nfs/dbraw/zinc/59/09/12/1052590912.db2.gz USIUVIRSDUGWPT-ZDUSSCGKSA-N 1 0 350.419 2.942 20 5 FFBDRO CC[NH+](CC)C1CCN(c2nnc([C@H](C)[N+](=O)[O-])n2CC(C)C)CC1 ZINC001344477811 1052791435 /nfs/dbraw/zinc/79/14/35/1052791435.db2.gz GMCKQVPABYFRQU-AWEZNQCLSA-N 1 0 352.483 2.582 20 5 FFBDRO C[C@H](CNC(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1)c1ccccc1[N+](=O)[O-] ZINC001336255104 1053872998 /nfs/dbraw/zinc/87/29/98/1053872998.db2.gz JATGBRHYTZUZDX-BEFAXECRSA-N 1 0 360.458 2.874 20 5 FFBDRO COc1ccc(NC(=O)NCC[C@H](C)[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC001347496564 1054045403 /nfs/dbraw/zinc/04/54/03/1054045403.db2.gz SMDIYELTWDTEIT-ZDUSSCGKSA-N 1 0 350.419 2.989 20 5 FFBDRO C[C@@](O)(C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 ZINC001336794868 1054233381 /nfs/dbraw/zinc/23/33/81/1054233381.db2.gz ONGKVOVYWQJAQZ-IAGOWNOFSA-N 1 0 350.802 2.779 20 5 FFBDRO CN1CC[NH+](CC2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)CC1 ZINC001336932219 1054348082 /nfs/dbraw/zinc/34/80/82/1054348082.db2.gz FEWRSEPDXCDSHN-UHFFFAOYSA-N 1 0 352.866 2.712 20 5 FFBDRO CSC1(CNC(=O)Nc2cc(C)cc([N+](=O)[O-])c2)CC[NH+](C)CC1 ZINC001347892387 1054429528 /nfs/dbraw/zinc/42/95/28/1054429528.db2.gz XFHSAAFPNOUDAL-UHFFFAOYSA-N 1 0 352.460 2.852 20 5 FFBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC001337121239 1054495843 /nfs/dbraw/zinc/49/58/43/1054495843.db2.gz CRKFYKIJOLKENG-IBGZPJMESA-N 1 0 360.458 2.779 20 5 FFBDRO CCC[N@@H+]1CCCC[C@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001337997030 1055159987 /nfs/dbraw/zinc/15/99/87/1055159987.db2.gz MDSCOXHLWQHWCK-SFHVURJKSA-N 1 0 360.458 2.508 20 5 FFBDRO [NH3+]Cc1ccccc1CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC001349361513 1055207893 /nfs/dbraw/zinc/20/78/93/1055207893.db2.gz BMFKERCXWHJDNV-UHFFFAOYSA-N 1 0 368.437 2.974 20 5 FFBDRO Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001356194666 1055372490 /nfs/dbraw/zinc/37/24/90/1055372490.db2.gz MWIHJAUBWRXMJI-ARFHVFGLSA-N 1 0 370.457 2.557 20 5 FFBDRO C[C@H](CNC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1)c1ccccc1[N+](=O)[O-] ZINC001338754160 1055786992 /nfs/dbraw/zinc/78/69/92/1055786992.db2.gz HPENVIYDEZLKSJ-GDBMZVCRSA-N 1 0 360.458 2.729 20 5 FFBDRO [NH3+][C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)C[C@H]1C(F)(F)F ZINC001358118716 1056148012 /nfs/dbraw/zinc/14/80/12/1056148012.db2.gz GNMDXSLJWQNRAF-ZIAGYGMSSA-N 1 0 353.300 2.710 20 5 FFBDRO O=[N+]([O-])c1ccc2ncnc(NCC3([NH+]4CCCCC4)CCOCC3)c2c1 ZINC000611706149 1056448048 /nfs/dbraw/zinc/44/80/48/1056448048.db2.gz JLNNSTAWIROBIU-UHFFFAOYSA-N 1 0 371.441 2.985 20 5 FFBDRO CC(C)OCC[NH+]1CCC(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC001545342651 1071766298 /nfs/dbraw/zinc/76/62/98/1071766298.db2.gz VWZFPGSELATKJU-UHFFFAOYSA-N 1 0 369.849 2.867 20 5 FFBDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC001444843866 1058341979 /nfs/dbraw/zinc/34/19/79/1058341979.db2.gz COGBYEWRCGFKBC-SNVBAGLBSA-N 1 0 372.828 2.916 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N2C[C@H]3CCC[N@@H+]3Cc3ccccc32)n1 ZINC001354985767 1059734269 /nfs/dbraw/zinc/73/42/69/1059734269.db2.gz ZXTCKRGVBYHZKN-OAHLLOKOSA-N 1 0 352.394 2.923 20 5 FFBDRO CCn1c(-c2ccc([N+](=O)[O-])o2)nnc1N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1 ZINC001520821203 1060114807 /nfs/dbraw/zinc/11/48/07/1060114807.db2.gz YLSMRPWXBGVSHJ-MELADBBJSA-N 1 0 374.445 2.633 20 5 FFBDRO O=C1[C@@H](c2ccc([N+](=O)[O-])cc2)CCN1CN1CC[C@H](c2ccccn2)C1 ZINC000848487804 1060138514 /nfs/dbraw/zinc/13/85/14/1060138514.db2.gz XLFLJOFZAUPGIC-FUHWJXTLSA-N 1 0 366.421 2.753 20 5 FFBDRO C[NH+](C)CCC1CCN(C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)CC1 ZINC000848580672 1060308806 /nfs/dbraw/zinc/30/88/06/1060308806.db2.gz DMPWKAZNCFHSMY-UHFFFAOYSA-N 1 0 371.384 2.757 20 5 FFBDRO O=C(N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1cc(F)cc([N+](=O)[O-])c1 ZINC001355545762 1060344920 /nfs/dbraw/zinc/34/49/20/1060344920.db2.gz DMCSWZWVFHIWGB-QFBILLFUSA-N 1 0 371.368 2.720 20 5 FFBDRO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)N(Cc3cccc([N+](=O)[O-])c3)C3CC3)[C@@H]2C1 ZINC001521372842 1060562987 /nfs/dbraw/zinc/56/29/87/1060562987.db2.gz JYEXLZVYNAYHNC-BMGDILEWSA-N 1 0 358.442 2.609 20 5 FFBDRO Nc1cc(CCCCNc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)cc[nH+]1 ZINC001458669254 1060643970 /nfs/dbraw/zinc/64/39/70/1060643970.db2.gz PKYBUQXMBHEQKR-UHFFFAOYSA-N 1 0 369.425 2.899 20 5 FFBDRO CC[C@@H](c1ccccc1)[NH+]1CCN(CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC001459578073 1060776212 /nfs/dbraw/zinc/77/62/12/1060776212.db2.gz KNJMEBZZQNIZFL-SFHVURJKSA-N 1 0 357.458 2.869 20 5 FFBDRO COc1ccc(NC(=O)CC[NH2+]C2([C@H]3CCCCO3)CC2)c([N+](=O)[O-])c1 ZINC001460826844 1061119873 /nfs/dbraw/zinc/11/98/73/1061119873.db2.gz DPQXNPWHWHJIJD-MRXNPFEDSA-N 1 0 363.414 2.623 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C)Cc1cccnc1 ZINC001460927947 1061152319 /nfs/dbraw/zinc/15/23/19/1061152319.db2.gz FHUONZCIAURXEN-ZDUSSCGKSA-N 1 0 358.398 2.548 20 5 FFBDRO COc1ccc(NC(=O)NC[C@H](C)[NH+]2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC001526863870 1061301560 /nfs/dbraw/zinc/30/15/60/1061301560.db2.gz YDXILGKGVDOYAA-ZDUSSCGKSA-N 1 0 350.419 2.845 20 5 FFBDRO C[C@]1(NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C[NH+]2CCC1CC2 ZINC001461477283 1061329261 /nfs/dbraw/zinc/32/92/61/1061329261.db2.gz QMOMADYSFQZDBF-KRWDZBQOSA-N 1 0 367.833 2.618 20 5 FFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cc(C2CC2)n(C)n1 ZINC001462600658 1061687040 /nfs/dbraw/zinc/68/70/40/1061687040.db2.gz AJNSEBYNQFMPRB-GFCCVEGCSA-N 1 0 357.414 2.713 20 5 FFBDRO C[C@@H](N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccccc1[N+](=O)[O-] ZINC000774596804 1062075946 /nfs/dbraw/zinc/07/59/46/1062075946.db2.gz LNUYQQDDYIUSCK-MLGOLLRUSA-N 1 0 370.365 2.959 20 5 FFBDRO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])NC1(C2CC[NH2+]CC2)CC1 ZINC001523488130 1062490565 /nfs/dbraw/zinc/49/05/65/1062490565.db2.gz YQANBQREVVYLLL-UHFFFAOYSA-N 1 0 351.834 2.829 20 5 FFBDRO C[NH+]1CCC(CNC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])CC1 ZINC001464678230 1062755104 /nfs/dbraw/zinc/75/51/04/1062755104.db2.gz BNINTWDDSDZAEB-UHFFFAOYSA-N 1 0 354.410 2.728 20 5 FFBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001465900086 1063255280 /nfs/dbraw/zinc/25/52/80/1063255280.db2.gz NFOFCXZTVPPUMS-BDJLRTHQSA-N 1 0 354.410 2.543 20 5 FFBDRO CC[C@H]1C[N@H+](CC)CCN1C(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC001525865162 1063443611 /nfs/dbraw/zinc/44/36/11/1063443611.db2.gz IVIUTTCGQXUSLK-OCCSQVGLSA-N 1 0 369.849 2.958 20 5 FFBDRO O=C(NCC1([NH2+]Cc2cc(Cl)ccc2F)CCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001495916091 1063557128 /nfs/dbraw/zinc/55/71/28/1063557128.db2.gz CYQDKCZBYFQXOF-UKRRQHHQSA-N 1 0 369.824 2.663 20 5 FFBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)NC3(C4CC4)CCC3)c2)CC1 ZINC001467371831 1063727113 /nfs/dbraw/zinc/72/71/13/1063727113.db2.gz FJGXFLWRWDZJCG-UHFFFAOYSA-N 1 0 373.457 2.801 20 5 FFBDRO CC(C)[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC001472328633 1065017820 /nfs/dbraw/zinc/01/78/20/1065017820.db2.gz PRJVOJRLFLAEDH-AEFFLSMTSA-N 1 0 361.442 2.695 20 5 FFBDRO CC[NH+](CC)CC[C@@H](C)NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC001472431198 1065057608 /nfs/dbraw/zinc/05/76/08/1065057608.db2.gz RQHITSCDPNTIDD-SECBINFHSA-N 1 0 360.817 2.820 20 5 FFBDRO Cn1cc([N+](=O)[O-])c(NCC2([N@@H+]3CCOC(C)(C)C3)CCCCC2)n1 ZINC001472691594 1065128561 /nfs/dbraw/zinc/12/85/61/1065128561.db2.gz SKHWREAAHVDFQQ-UHFFFAOYSA-N 1 0 351.451 2.554 20 5 FFBDRO CC[NH+]1CCN(C2CN(c3c(Cl)cc([N+](=O)[O-])cc3Cl)C2)CC1 ZINC001472886980 1065168037 /nfs/dbraw/zinc/16/80/37/1065168037.db2.gz HPUQQYMIIOSGBW-UHFFFAOYSA-N 1 0 359.257 2.728 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1Cc2c[nH]nc2C[C@@H](C)C1 ZINC001473797162 1065365314 /nfs/dbraw/zinc/36/53/14/1065365314.db2.gz NXYJMITYFBBGEB-GFCCVEGCSA-N 1 0 357.414 2.649 20 5 FFBDRO O=C(C[NH2+]C1([C@@H]2CCCO2)CCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC001473890692 1065407815 /nfs/dbraw/zinc/40/78/15/1065407815.db2.gz ZYQPHVQUDMOERT-AWEZNQCLSA-N 1 0 353.806 2.878 20 5 FFBDRO CCc1ccc(S(=O)(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)cc1[N+](=O)[O-] ZINC001474960451 1065655804 /nfs/dbraw/zinc/65/58/04/1065655804.db2.gz KHNNJZXWODYYTO-INIZCTEOSA-N 1 0 371.503 2.802 20 5 FFBDRO CC/C=C/Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](C[NH3+])C1 ZINC001577312715 1078336058 /nfs/dbraw/zinc/33/60/58/1078336058.db2.gz LFPQETDDJVQUNO-RDFMZFSFSA-N 1 0 356.430 2.605 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)Cc1cccc2c1CC[NH2+]C2 ZINC001578189167 1078448951 /nfs/dbraw/zinc/44/89/51/1078448951.db2.gz FGEHJSVSQQRQMZ-UHFFFAOYSA-N 1 0 355.394 2.820 20 5 FFBDRO C[C@@H]([NH3+])Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H]2CCC[C@@H]21 ZINC001579401872 1078625564 /nfs/dbraw/zinc/62/55/64/1078625564.db2.gz BUDVLTPDPSSASJ-WWGRRREGSA-N 1 0 356.430 2.579 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N(c2ccccc2F)C2CC[NH2+]CC2)n1 ZINC001579642705 1078653710 /nfs/dbraw/zinc/65/37/10/1078653710.db2.gz RYHAHQAASUTSQN-UHFFFAOYSA-N 1 0 358.373 2.836 20 5 FFBDRO [NH3+]C1(CNC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)CCC1 ZINC001580151127 1078757870 /nfs/dbraw/zinc/75/78/70/1078757870.db2.gz OTQQPZVBYFSCCO-UHFFFAOYSA-N 1 0 354.410 2.818 20 5 FFBDRO [NH3+]C[C@]12CC[C@H]1CCCN2C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001580249500 1078774214 /nfs/dbraw/zinc/77/42/14/1078774214.db2.gz AHCDKQNNUQKBHB-MEBBXXQBSA-N 1 0 357.332 2.957 20 5 FFBDRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1Br ZINC001580261744 1078777434 /nfs/dbraw/zinc/77/74/34/1078777434.db2.gz IWGSBXVHKOLOHJ-MWLCHTKSSA-N 1 0 356.220 2.605 20 5 FFBDRO O=[N+]([O-])c1cccnc1N1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC001580875404 1078881691 /nfs/dbraw/zinc/88/16/91/1078881691.db2.gz KHQFMCMODVJXPY-UHFFFAOYSA-N 1 0 356.430 2.564 20 5 FFBDRO CCCN(CC[NH+]1CCCCC1)C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC001556566511 1075753909 /nfs/dbraw/zinc/75/39/09/1075753909.db2.gz WSFYMAJTTRZUIU-UHFFFAOYSA-N 1 0 362.474 2.756 20 5 FFBDRO C[NH+](C)[C@H]1C[C@H](NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C12CCC2 ZINC001557698918 1075875877 /nfs/dbraw/zinc/87/58/77/1075875877.db2.gz YJVVVTWHOUDPPP-IRXDYDNUSA-N 1 0 359.426 2.547 20 5 FFBDRO C[N@@H+]1C[C@@]2(C)CN(C(=O)CCc3ccc([N+](=O)[O-])cc3Cl)C[C@@]2(C)C1 ZINC001557741021 1075882563 /nfs/dbraw/zinc/88/25/63/1075882563.db2.gz HPZPPJCDDWILFH-HDICACEKSA-N 1 0 365.861 2.981 20 5 FFBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)Nc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC001559080732 1076123945 /nfs/dbraw/zinc/12/39/45/1076123945.db2.gz SFLVBJFRNGERJM-UONOGXRCSA-N 1 0 358.442 2.979 20 5 FFBDRO C[C@H]1CN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC[N@@H+]1C1CCCC1 ZINC001559280885 1076145530 /nfs/dbraw/zinc/14/55/30/1076145530.db2.gz YYMLLRHYRSFPIJ-ZDUSSCGKSA-N 1 0 358.442 2.933 20 5 FFBDRO C[C@H]1CCC(C)(C)[N@@H+]1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001559904136 1076200656 /nfs/dbraw/zinc/20/06/56/1076200656.db2.gz ZGQJCWTZSKUMEM-HNNXBMFYSA-N 1 0 360.458 2.506 20 5 FFBDRO Cc1nnc(CC[N@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)o1 ZINC001559944269 1076204100 /nfs/dbraw/zinc/20/41/00/1076204100.db2.gz KQSOJIAJIBIZMD-WKILWMFISA-N 1 0 360.414 2.634 20 5 FFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC001560109012 1076229003 /nfs/dbraw/zinc/22/90/03/1076229003.db2.gz RCZVPKRBCFDNCO-HUUCEWRRSA-N 1 0 369.425 2.528 20 5 FFBDRO O=[N+]([O-])c1cc(F)ccc1C[NH2+][C@]1(CO)CCCN(Cc2ccccc2)C1 ZINC001560134396 1076232690 /nfs/dbraw/zinc/23/26/90/1076232690.db2.gz DNJYTZOIKIWMSD-HXUWFJFHSA-N 1 0 373.428 2.851 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]Cc1cccc(NS(C)(=O)=O)c1 ZINC001560255403 1076257112 /nfs/dbraw/zinc/25/71/12/1076257112.db2.gz QMCFUMGYVWJMBZ-UHFFFAOYSA-N 1 0 363.439 2.873 20 5 FFBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CCOc2ncccc2F)c1 ZINC001560403653 1076270763 /nfs/dbraw/zinc/27/07/63/1076270763.db2.gz XIUVTNNZBUUBET-UHFFFAOYSA-N 1 0 357.288 2.899 20 5 FFBDRO CCNC(=O)C(C)(C)C[NH2+]Cc1c(Br)cccc1[N+](=O)[O-] ZINC001560406858 1076271320 /nfs/dbraw/zinc/27/13/20/1076271320.db2.gz UKAUVTPSNNLVQA-UHFFFAOYSA-N 1 0 358.236 2.609 20 5 FFBDRO COc1c(O)ccc(C[NH2+][C@H]2CN(Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC001560736065 1076295018 /nfs/dbraw/zinc/29/50/18/1076295018.db2.gz GAQJCHCNANGZKR-PBHICJAKSA-N 1 0 371.437 2.919 20 5 FFBDRO C[N@H+](CCC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)Cc1ccccc1F ZINC001568436758 1077091360 /nfs/dbraw/zinc/09/13/60/1077091360.db2.gz SDXGVPVNYRRCCL-SJLPKXTDSA-N 1 0 363.433 2.551 20 5 FFBDRO CN(CCC[NH2+]Cc1cc(Cl)cc(Cl)c1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001569201483 1077133918 /nfs/dbraw/zinc/13/39/18/1077133918.db2.gz AANHBHFUEOIHKO-ZIAGYGMSSA-N 1 0 360.241 2.597 20 5 FFBDRO Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)c3cc(F)cc([N+](=O)[O-])c3N)C2)cc1 ZINC001587797260 1079867724 /nfs/dbraw/zinc/86/77/24/1079867724.db2.gz YGFGSQCJTVHETM-HNNXBMFYSA-N 1 0 372.400 2.629 20 5 FFBDRO CC[NH+]1CCN(c2cc(N(C)C(=O)C=C3CCC3)cc([N+](=O)[O-])c2)CC1 ZINC001587904029 1079889216 /nfs/dbraw/zinc/88/92/16/1079889216.db2.gz ZRHSEHHQJAWSCU-UHFFFAOYSA-N 1 0 358.442 2.810 20 5 FFBDRO CC1(C)C[N@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])CC2(CCCC2)O1 ZINC001590104748 1081016117 /nfs/dbraw/zinc/01/61/17/1081016117.db2.gz VYKKQMWNVMMWSS-UHFFFAOYSA-N 1 0 372.429 2.699 20 5 FFBDRO C[C@]1([NH2+]Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])CCOc2ccccc21 ZINC001590146640 1081049860 /nfs/dbraw/zinc/04/98/60/1081049860.db2.gz HAXXNEYBFCLJEK-SFHVURJKSA-N 1 0 366.381 2.562 20 5 FFBDRO CC1CC[NH+](CCCCNc2ccc(-c3nn[nH]n3)c([N+](=O)[O-])c2)CC1 ZINC001590272097 1081134845 /nfs/dbraw/zinc/13/48/45/1081134845.db2.gz NFNGREBJNYSCNA-UHFFFAOYSA-N 1 0 359.434 2.699 20 5 FFBDRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC001620623681 1126241186 /nfs/dbraw/zinc/24/11/86/1126241186.db2.gz DUJCXTCIJOBJGO-IBGZPJMESA-N 1 0 370.409 2.563 20 5 FFBDRO COc1c(O)ccc(C[NH2+][C@@H](CO)Cc2ccc(C)c(C)c2)c1[N+](=O)[O-] ZINC001621376667 1126246218 /nfs/dbraw/zinc/24/62/18/1126246218.db2.gz KJMPSMFJFSSYOV-MRXNPFEDSA-N 1 0 360.410 2.619 20 5 FFBDRO CC(=O)NC[C@H]1CCC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000104679026 250182156 /nfs/dbraw/zinc/18/21/56/250182156.db2.gz TWJVMYCBWWNHKB-OAHLLOKOSA-N 1 0 372.425 2.640 20 5 FFBDRO CCC[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)CC(=O)N(C)C ZINC000104675898 250182872 /nfs/dbraw/zinc/18/28/72/250182872.db2.gz YLQSHAASVIPEHD-UHFFFAOYSA-N 1 0 360.414 2.593 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000370896029 512121957 /nfs/dbraw/zinc/12/19/57/512121957.db2.gz VQEPEIPDQXOCMB-UHFFFAOYSA-N 1 0 354.838 2.582 20 5 FFBDRO Cc1cc(N2CCCN(C(=O)C3CC3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000152840984 251075116 /nfs/dbraw/zinc/07/51/16/251075116.db2.gz JJFZZRRFBCQZRX-UHFFFAOYSA-N 1 0 354.410 2.900 20 5 FFBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000173565348 251207867 /nfs/dbraw/zinc/20/78/67/251207867.db2.gz LZBGTYFNKFGZCW-CQSZACIVSA-N 1 0 360.458 2.973 20 5 FFBDRO CCCc1n[nH]c(C(=O)N[C@@H](C[NH3+])c2ccc3ccccc3c2)c1[N+](=O)[O-] ZINC000192548458 251287000 /nfs/dbraw/zinc/28/70/00/251287000.db2.gz WQTQIJVUHZZIRU-INIZCTEOSA-N 1 0 367.409 2.853 20 5 FFBDRO O=[N+]([O-])c1cc(Br)ccc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000267413132 251349907 /nfs/dbraw/zinc/34/99/07/251349907.db2.gz SAOMRRBGCKGOEA-GFCCVEGCSA-N 1 0 370.247 2.516 20 5 FFBDRO C[NH+]1CCC([C@H]2CCN(C(=O)c3cc(F)c(F)cc3[N+](=O)[O-])C2)CC1 ZINC000270460204 251550433 /nfs/dbraw/zinc/55/04/33/251550433.db2.gz QLBVJDBRGNFXIT-LBPRGKRZSA-N 1 0 353.369 2.677 20 5 FFBDRO Cn1cc([N+](=O)[O-])c(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)n1 ZINC000271174545 251722530 /nfs/dbraw/zinc/72/25/30/251722530.db2.gz XWGIPQYCRIQFBN-UHFFFAOYSA-N 1 0 371.441 2.634 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)C[C@@H](O)COCCOC(C)C ZINC000272283969 252000083 /nfs/dbraw/zinc/00/00/83/252000083.db2.gz FUQFVNRXNGFUSA-DOTOQJQBSA-N 1 0 354.447 2.699 20 5 FFBDRO COc1cc(C[NH2+]C[C@H](C)C[C@@H](C)O)c([N+](=O)[O-])cc1OCC(F)F ZINC000272388158 252026169 /nfs/dbraw/zinc/02/61/69/252026169.db2.gz IOFZLHCHKCJROP-GHMZBOCLSA-N 1 0 362.373 2.744 20 5 FFBDRO C[C@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)C1=CC[N@H+](C)CC1 ZINC000272942326 252170899 /nfs/dbraw/zinc/17/08/99/252170899.db2.gz MCEHFBXEZRNIIU-JTQLQIEISA-N 1 0 370.356 2.968 20 5 FFBDRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000272981485 252181344 /nfs/dbraw/zinc/18/13/44/252181344.db2.gz XXXPYJIGMDLNBW-GFCCVEGCSA-N 1 0 352.387 2.858 20 5 FFBDRO Cc1c(C(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000273204596 252249685 /nfs/dbraw/zinc/24/96/85/252249685.db2.gz AJEODNGLUMMAJQ-LBPRGKRZSA-N 1 0 364.402 2.614 20 5 FFBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000273212516 252252593 /nfs/dbraw/zinc/25/25/93/252252593.db2.gz BVBZPKILAKPGKX-NSHDSACASA-N 1 0 371.384 2.999 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000275640576 256034129 /nfs/dbraw/zinc/03/41/29/256034129.db2.gz MGPXWOVTYDASNC-CQSZACIVSA-N 1 0 362.430 2.799 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CC3(N4CCOCC4)CC3)cs2)c1 ZINC000277471491 256201811 /nfs/dbraw/zinc/20/18/11/256201811.db2.gz KFIIZWNDHUVQLE-UHFFFAOYSA-N 1 0 374.466 2.673 20 5 FFBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000277267644 256178333 /nfs/dbraw/zinc/17/83/33/256178333.db2.gz MCSNXXPBTCLSRP-LLVKDONJSA-N 1 0 370.247 2.914 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000277615576 256217922 /nfs/dbraw/zinc/21/79/22/256217922.db2.gz QJNXZEXHPGOQDY-KGLIPLIRSA-N 1 0 361.442 2.986 20 5 FFBDRO O=[N+]([O-])c1ccc2[nH]c(NC3CC[NH+]([C@H]4CCCC[C@H]4O)CC3)nc2c1 ZINC000278396355 256307644 /nfs/dbraw/zinc/30/76/44/256307644.db2.gz GGWMYPQOROQVKU-DLBZAZTESA-N 1 0 359.430 2.651 20 5 FFBDRO O=C(CC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2)Nc1ccccc1[N+](=O)[O-] ZINC000278495749 256318907 /nfs/dbraw/zinc/31/89/07/256318907.db2.gz ABKISLWSYDHFNK-FSPWUOQZSA-N 1 0 359.426 2.861 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CCN2CC[C@@H](CC(F)(F)F)C2)cc1 ZINC000278582884 256327841 /nfs/dbraw/zinc/32/78/41/256327841.db2.gz CTFOXMSOMHJHRB-NSHDSACASA-N 1 0 366.361 2.643 20 5 FFBDRO COC[C@@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@H]1CCCO1 ZINC000279092583 256381039 /nfs/dbraw/zinc/38/10/39/256381039.db2.gz PNEDYPUYBIQMHM-HZPDHXFCSA-N 1 0 361.398 2.576 20 5 FFBDRO CCC[C@H]([NH2+]CC1(OCCO)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000282483072 256743811 /nfs/dbraw/zinc/74/38/11/256743811.db2.gz HFZDFLFMJKWEEA-KRWDZBQOSA-N 1 0 352.431 2.584 20 5 FFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CN2CCOCC2)c2ccccc2)cc1F ZINC000283243195 256856940 /nfs/dbraw/zinc/85/69/40/256856940.db2.gz UXEYESGSGGRBAF-SFHVURJKSA-N 1 0 359.401 2.897 20 5 FFBDRO COC(=O)c1cc(C)nc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000286128369 257021642 /nfs/dbraw/zinc/02/16/42/257021642.db2.gz HEGXLIJKCVKZAG-BBRMVZONSA-N 1 0 374.441 2.538 20 5 FFBDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000286464139 257038397 /nfs/dbraw/zinc/03/83/97/257038397.db2.gz KOGDAEPTCDDXNP-XFJQVIQYSA-N 1 0 359.426 2.587 20 5 FFBDRO COc1cc(C[N@H+](C)[C@@H]2CCC[C@H]2O)c([N+](=O)[O-])cc1OCC(F)F ZINC000286522433 257041125 /nfs/dbraw/zinc/04/11/25/257041125.db2.gz NGDFSNJHKDAAAS-DGCLKSJQSA-N 1 0 360.357 2.593 20 5 FFBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000287222339 257078303 /nfs/dbraw/zinc/07/83/03/257078303.db2.gz QGURHYJOKBWVQF-PBHICJAKSA-N 1 0 356.426 2.635 20 5 FFBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000288355670 257179434 /nfs/dbraw/zinc/17/94/34/257179434.db2.gz WIUIJOAFPPHACD-JSGCOSHPSA-N 1 0 362.386 2.510 20 5 FFBDRO CCn1c(C)nc([N+](=O)[O-])c1NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000288825230 257230655 /nfs/dbraw/zinc/23/06/55/257230655.db2.gz IMBZQKZYVBLAMJ-UHFFFAOYSA-N 1 0 373.457 2.688 20 5 FFBDRO CCc1nn(C)c(NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)c1[N+](=O)[O-] ZINC000288852769 257232570 /nfs/dbraw/zinc/23/25/70/257232570.db2.gz KOGWZFXKZYXXMK-ZDUSSCGKSA-N 1 0 358.446 2.923 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1CNCc1ccncc1OCCC[NH+](C)C ZINC000288412173 257186279 /nfs/dbraw/zinc/18/62/79/257186279.db2.gz AOIBMJYCVGAIJM-UHFFFAOYSA-N 1 0 358.442 2.919 20 5 FFBDRO Cc1c(C[N@@H+]2CCC[C@@H](CNC(=O)C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000289513443 257285203 /nfs/dbraw/zinc/28/52/03/257285203.db2.gz RCOQFJPKHVKQJP-LBPRGKRZSA-N 1 0 359.348 2.794 20 5 FFBDRO Cc1cccnc1OC1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000289392295 257278289 /nfs/dbraw/zinc/27/82/89/257278289.db2.gz MSLNXIJTYMMQRF-SFHVURJKSA-N 1 0 357.410 2.875 20 5 FFBDRO CN1CC[NH+](CC2CCN(Cc3ccc([N+](=O)[O-])cc3Cl)CC2)CC1 ZINC000289413330 257279842 /nfs/dbraw/zinc/27/98/42/257279842.db2.gz IDXGXGRKRDNVEY-UHFFFAOYSA-N 1 0 366.893 2.708 20 5 FFBDRO NC(=O)c1ccnc(NCC2([NH+]3CCCCC3)CCCCC2)c1[N+](=O)[O-] ZINC000290464031 257333137 /nfs/dbraw/zinc/33/31/37/257333137.db2.gz FSFIFHSPHRJPGL-UHFFFAOYSA-N 1 0 361.446 2.689 20 5 FFBDRO CC1(C)C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@H]1[C@H]1CCCO1 ZINC000289969485 257309287 /nfs/dbraw/zinc/30/92/87/257309287.db2.gz XELNISAFCGOFOM-WBVHZDCISA-N 1 0 365.405 2.952 20 5 FFBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]CC2=CCCOC2)c1 ZINC000289999558 257310818 /nfs/dbraw/zinc/31/08/18/257310818.db2.gz YAHSCCNLEAHUML-UHFFFAOYSA-N 1 0 374.178 2.636 20 5 FFBDRO CCNC(=O)N1CC[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000290969015 257369050 /nfs/dbraw/zinc/36/90/50/257369050.db2.gz XCXNOAYVXXDDDV-NSHDSACASA-N 1 0 361.229 2.795 20 5 FFBDRO COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000295459715 257633260 /nfs/dbraw/zinc/63/32/60/257633260.db2.gz FMQXILPAGNTZLM-CABCVRRESA-N 1 0 374.397 2.856 20 5 FFBDRO CO[C@@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1(C)C ZINC000296103505 257671646 /nfs/dbraw/zinc/67/16/46/257671646.db2.gz RCVJTVIYBOLWPZ-OAHLLOKOSA-N 1 0 353.394 2.809 20 5 FFBDRO CCC[C@]1(CO)CCC[N@@H+]1CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000298545217 257921102 /nfs/dbraw/zinc/92/11/02/257921102.db2.gz NMQUOGIMKYJOAZ-GOSISDBHSA-N 1 0 365.430 2.559 20 5 FFBDRO C[NH+](C)CCN1CCC(Nc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000301110077 258026187 /nfs/dbraw/zinc/02/61/87/258026187.db2.gz XVGFTHQACMYHQS-UHFFFAOYSA-N 1 0 371.279 2.795 20 5 FFBDRO C[N@@H+]1CCCC[C@H]1CN1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000301189927 258032754 /nfs/dbraw/zinc/03/27/54/258032754.db2.gz LUFXKIILNOHBJE-HNNXBMFYSA-N 1 0 352.866 2.855 20 5 FFBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000301206685 258033725 /nfs/dbraw/zinc/03/37/25/258033725.db2.gz TVIAFUJCMJCESJ-INIZCTEOSA-N 1 0 355.442 2.921 20 5 FFBDRO CC(=O)c1ccc(Sc2nnc([C@@H]3CCC[NH2+]C3)n2C)c([N+](=O)[O-])c1 ZINC000301293357 258040771 /nfs/dbraw/zinc/04/07/71/258040771.db2.gz QJNPCFFQPFZYLH-GFCCVEGCSA-N 1 0 361.427 2.544 20 5 FFBDRO COCCC[NH2+]Cc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000299578181 258006982 /nfs/dbraw/zinc/00/69/82/258006982.db2.gz CRPNIKBSKFDFEM-UHFFFAOYSA-N 1 0 352.309 2.671 20 5 FFBDRO Nc1nc(N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)ncc1[N+](=O)[O-] ZINC000302200698 258094700 /nfs/dbraw/zinc/09/47/00/258094700.db2.gz ZDZNDCPBRWHGEL-ARFHVFGLSA-N 1 0 368.441 2.680 20 5 FFBDRO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cccc(F)c1[N+](=O)[O-] ZINC000302466553 258102816 /nfs/dbraw/zinc/10/28/16/258102816.db2.gz SQUSGWZJMODIEX-LJQANCHMSA-N 1 0 359.401 2.807 20 5 FFBDRO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCc1ccc(-n2ccnc2)cc1 ZINC000302594500 258106716 /nfs/dbraw/zinc/10/67/16/258106716.db2.gz AWCQCQKMOZJQGZ-UHFFFAOYSA-N 1 0 372.406 2.796 20 5 FFBDRO Cc1cnc(NCCC[NH+]2CCN(c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000301413535 258048148 /nfs/dbraw/zinc/04/81/48/258048148.db2.gz BEBCSVSGUSDQJH-UHFFFAOYSA-N 1 0 355.442 2.922 20 5 FFBDRO Cc1cc(N[C@H](C)C[NH+]2CCN(c3ccccc3)CC2)ncc1[N+](=O)[O-] ZINC000301417145 258048394 /nfs/dbraw/zinc/04/83/94/258048394.db2.gz CJZNDDQZNKBXHK-MRXNPFEDSA-N 1 0 355.442 2.921 20 5 FFBDRO Cn1ccnc1C(=O)c1ccc(N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000301506427 258053097 /nfs/dbraw/zinc/05/30/97/258053097.db2.gz CWJCUXYVKGSNAV-HUUCEWRRSA-N 1 0 371.441 2.844 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)c1 ZINC000301562669 258055871 /nfs/dbraw/zinc/05/58/71/258055871.db2.gz KYZPQVNBYYDYOQ-UHFFFAOYSA-N 1 0 362.474 2.942 20 5 FFBDRO Cc1nc(N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000301736145 258065634 /nfs/dbraw/zinc/06/56/34/258065634.db2.gz VCAKYMNXXNUSGO-IAGOWNOFSA-N 1 0 356.426 2.593 20 5 FFBDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000301996819 258081122 /nfs/dbraw/zinc/08/11/22/258081122.db2.gz OUXVRMUCWQCAEX-HNNXBMFYSA-N 1 0 366.425 2.738 20 5 FFBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000331106905 258177258 /nfs/dbraw/zinc/17/72/58/258177258.db2.gz GSHOKAFOYRSGRS-XQQFMLRXSA-N 1 0 369.412 2.898 20 5 FFBDRO CC(C)[C@H]1CN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000331119959 258177530 /nfs/dbraw/zinc/17/75/30/258177530.db2.gz FXCVEMBEAGVJDX-CQSZACIVSA-N 1 0 370.247 2.770 20 5 FFBDRO C[NH+](C)CC1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000331161274 258178862 /nfs/dbraw/zinc/17/88/62/258178862.db2.gz GEFYQZAWIWUBDZ-UHFFFAOYSA-N 1 0 370.247 2.771 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000331900394 258205251 /nfs/dbraw/zinc/20/52/51/258205251.db2.gz GWUCUGCCKBAICO-AWEZNQCLSA-N 1 0 367.471 2.507 20 5 FFBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000331930578 258206557 /nfs/dbraw/zinc/20/65/57/258206557.db2.gz KZDVWPXYGOEIEW-BZNIZROVSA-N 1 0 353.369 2.501 20 5 FFBDRO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@](C)(OC)CC2)c([N+](=O)[O-])c1 ZINC000332331087 258225513 /nfs/dbraw/zinc/22/55/13/258225513.db2.gz QIGNCCSOIYPIGV-UGSOOPFHSA-N 1 0 365.430 2.821 20 5 FFBDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000332343495 258226234 /nfs/dbraw/zinc/22/62/34/258226234.db2.gz SRCLUXCLRCDYFD-KGLIPLIRSA-N 1 0 368.231 2.714 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000332369382 258227467 /nfs/dbraw/zinc/22/74/67/258227467.db2.gz AGEGFMAUHCMECD-QAPCUYQASA-N 1 0 361.442 2.570 20 5 FFBDRO Cn1cc(N2CC[C@@H]([NH2+]Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2)cn1 ZINC000370902851 512126032 /nfs/dbraw/zinc/12/60/32/512126032.db2.gz CXAKYWFQPJYIKI-OAHLLOKOSA-N 1 0 367.409 2.957 20 5 FFBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccc(Br)s1 ZINC000444757711 514317733 /nfs/dbraw/zinc/31/77/33/514317733.db2.gz AGUJDVXTBBDODB-VIFPVBQESA-N 1 0 372.244 2.931 20 5 FFBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000377137662 512137362 /nfs/dbraw/zinc/13/73/62/512137362.db2.gz AFICFJJEANACOC-UHFFFAOYSA-N 1 0 374.485 2.792 20 5 FFBDRO Cn1cc(N2CC[C@H]([NH2+][C@H]3CCC[C@H]3Cc3ccccc3[N+](=O)[O-])C2)cn1 ZINC000366755470 512173131 /nfs/dbraw/zinc/17/31/31/512173131.db2.gz AYNHOFGYYAVLQY-IEZWGBDMSA-N 1 0 369.469 2.908 20 5 FFBDRO C[C@@H]1CN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)[C@H](C)C[NH2+]1 ZINC000415686470 513379015 /nfs/dbraw/zinc/37/90/15/513379015.db2.gz AJFBRCVUGSFEFM-RKDXNWHRSA-N 1 0 357.208 2.571 20 5 FFBDRO C[NH+](C)CCN(Cc1ccccc1F)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000065893573 506385989 /nfs/dbraw/zinc/38/59/89/506385989.db2.gz VORIEFXXKXRZBA-UHFFFAOYSA-N 1 0 374.416 2.736 20 5 FFBDRO C[NH+]1CCN(Cc2ccc(NC(=O)Cc3ccccc3[N+](=O)[O-])cc2)CC1 ZINC000041576993 506533373 /nfs/dbraw/zinc/53/33/73/506533373.db2.gz JHXITOUFGVRJTM-UHFFFAOYSA-N 1 0 368.437 2.523 20 5 FFBDRO C[NH+](C)C(C)(C)CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000041798671 506553028 /nfs/dbraw/zinc/55/30/28/506553028.db2.gz LNQYBIZMPACHKI-UHFFFAOYSA-N 1 0 351.450 2.611 20 5 FFBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000371244017 512287334 /nfs/dbraw/zinc/28/73/34/512287334.db2.gz LZJNHWAZOVKLFQ-GOSISDBHSA-N 1 0 360.458 2.778 20 5 FFBDRO COc1cccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2C)[NH+](C)C)c1 ZINC000067140082 506769303 /nfs/dbraw/zinc/76/93/03/506769303.db2.gz DBPWFNHYWMFIDZ-GOSISDBHSA-N 1 0 357.410 2.945 20 5 FFBDRO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CC[NH+](C2CCCC2)CC1 ZINC000045083730 506916833 /nfs/dbraw/zinc/91/68/33/506916833.db2.gz ASSNTXSDLAGCOQ-UHFFFAOYSA-N 1 0 372.469 2.895 20 5 FFBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000056067407 506923354 /nfs/dbraw/zinc/92/33/54/506923354.db2.gz MMWVVKOPOKWJSB-HUUCEWRRSA-N 1 0 369.487 2.631 20 5 FFBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)NC(=O)NC1CCCCC1 ZINC000056196801 506959707 /nfs/dbraw/zinc/95/97/07/506959707.db2.gz UIONTTTZJZBCKB-QWHCGFSZSA-N 1 0 362.430 2.792 20 5 FFBDRO C[C@@H](CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)[N@@H+]1CCCC[C@@H]1C ZINC000067830431 507020511 /nfs/dbraw/zinc/02/05/11/507020511.db2.gz LCVDQMPWFRYJEE-GJZGRUSLSA-N 1 0 358.442 2.929 20 5 FFBDRO COc1ccc(CC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000067907333 507048355 /nfs/dbraw/zinc/04/83/55/507048355.db2.gz JRIXWOFNCBBARI-OAHLLOKOSA-N 1 0 363.458 2.917 20 5 FFBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000068132714 507124944 /nfs/dbraw/zinc/12/49/44/507124944.db2.gz ZQKOQVLEPMEVCA-INIZCTEOSA-N 1 0 361.442 2.841 20 5 FFBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000068186317 507141092 /nfs/dbraw/zinc/14/10/92/507141092.db2.gz DDGSRNBRJCOGLO-UHFFFAOYSA-N 1 0 369.421 2.999 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC(C)(C)C[NH+](C)C ZINC000068265793 507166622 /nfs/dbraw/zinc/16/66/22/507166622.db2.gz QJUMUDNVNCPNFW-NSHDSACASA-N 1 0 357.838 2.720 20 5 FFBDRO C[NH+](C)[C@H]1CCCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000068341133 507193997 /nfs/dbraw/zinc/19/39/97/507193997.db2.gz JSJYNADNIYORKS-INIZCTEOSA-N 1 0 363.461 2.707 20 5 FFBDRO C[C@H]([NH2+]C(C)(C)CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000068387685 507211862 /nfs/dbraw/zinc/21/18/62/507211862.db2.gz TWLAMTSJOJAONQ-AWEZNQCLSA-N 1 0 373.457 2.772 20 5 FFBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000068386566 507212305 /nfs/dbraw/zinc/21/23/05/507212305.db2.gz IOBKQKDMVPZSOY-CQSZACIVSA-N 1 0 373.457 2.735 20 5 FFBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)c1cccc(C[NH+]2CCCC2)c1 ZINC000068520288 507253948 /nfs/dbraw/zinc/25/39/48/507253948.db2.gz XNNCWMPRGHQQGB-UHFFFAOYSA-N 1 0 369.421 2.999 20 5 FFBDRO CC(C)[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CC1 ZINC000068798955 507329256 /nfs/dbraw/zinc/32/92/56/507329256.db2.gz KJEICGICVADOOW-UHFFFAOYSA-N 1 0 360.458 2.751 20 5 FFBDRO Cc1cc(N2CC[NH+](CC3CC3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000057827659 507336791 /nfs/dbraw/zinc/33/67/91/507336791.db2.gz ZTFBUXRGNXODQI-UHFFFAOYSA-N 1 0 353.426 2.892 20 5 FFBDRO C[C@H]1CCCN(c2ccc(C(=O)NC3CC[NH+](C)CC3)cc2[N+](=O)[O-])C1 ZINC000023751377 507372388 /nfs/dbraw/zinc/37/23/88/507372388.db2.gz QZWLXOSTTATREB-AWEZNQCLSA-N 1 0 360.458 2.655 20 5 FFBDRO O=C(CC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1)Nc1cccc(F)c1 ZINC000047745591 507387325 /nfs/dbraw/zinc/38/73/25/507387325.db2.gz JDOVHZIRVOIYBC-UHFFFAOYSA-N 1 0 372.400 2.885 20 5 FFBDRO CC(C)[N@@H+]1CCC[C@@H](CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000069064070 507392557 /nfs/dbraw/zinc/39/25/57/507392557.db2.gz IQSHYWCJVBPKIS-ZDUSSCGKSA-N 1 0 355.460 2.531 20 5 FFBDRO O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCC([NH+]2CCCCC2)CC1 ZINC000058268806 507397282 /nfs/dbraw/zinc/39/72/82/507397282.db2.gz ZHDQAIWGXYSIFX-UHFFFAOYSA-N 1 0 362.386 2.594 20 5 FFBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000069124880 507415314 /nfs/dbraw/zinc/41/53/14/507415314.db2.gz ILGRQRBKMDXRIW-OAHLLOKOSA-N 1 0 367.471 2.542 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000048039717 507438607 /nfs/dbraw/zinc/43/86/07/507438607.db2.gz INROLYAEMHILGR-CYBMUJFWSA-N 1 0 350.419 2.847 20 5 FFBDRO O=C(c1cc2ccccc2c2cccnc12)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000377586989 512341066 /nfs/dbraw/zinc/34/10/66/512341066.db2.gz LBUBTCUESVJQAF-KRWDZBQOSA-N 1 0 360.461 2.508 20 5 FFBDRO C[C@@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(F)c(F)c1 ZINC000026713225 507603976 /nfs/dbraw/zinc/60/39/76/507603976.db2.gz XIWLHQOHSZOVIU-RISCZKNCSA-N 1 0 352.337 2.964 20 5 FFBDRO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000051049487 507727810 /nfs/dbraw/zinc/72/78/10/507727810.db2.gz PZXFFLJUADVAOK-HOTGVXAUSA-N 1 0 363.458 2.990 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CCc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000028620817 507731388 /nfs/dbraw/zinc/73/13/88/507731388.db2.gz GUVRWCXZAJDXFF-UHFFFAOYSA-N 1 0 356.382 2.868 20 5 FFBDRO O=C(COc1cccc([N+](=O)[O-])c1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000028885380 507748627 /nfs/dbraw/zinc/74/86/27/507748627.db2.gz HKTSIEUMVFMFQL-UHFFFAOYSA-N 1 0 369.421 2.708 20 5 FFBDRO C[NH+](C)CCCOc1ccc(NC(=O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000107194140 507837354 /nfs/dbraw/zinc/83/73/54/507837354.db2.gz ARJSOMCOUPCVBN-UHFFFAOYSA-N 1 0 373.409 2.943 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCCC[NH+](C(C)C)C(C)C ZINC000072717130 507846239 /nfs/dbraw/zinc/84/62/39/507846239.db2.gz OGUIVYGTZCQWRT-UHFFFAOYSA-N 1 0 357.476 2.690 20 5 FFBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000072718651 507846441 /nfs/dbraw/zinc/84/64/41/507846441.db2.gz JCTXZWIKVPJOAD-JKSUJKDBSA-N 1 0 360.458 2.730 20 5 FFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000072719166 507847301 /nfs/dbraw/zinc/84/73/01/507847301.db2.gz UFFSUUAYJLZACM-HZPDHXFCSA-N 1 0 360.458 2.730 20 5 FFBDRO Cc1c(NC(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)cccc1[N+](=O)[O-] ZINC000072795058 507853333 /nfs/dbraw/zinc/85/33/33/507853333.db2.gz SHZCMTKBLDYKQR-UHFFFAOYSA-N 1 0 368.437 2.903 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)cc1SC ZINC000108305799 507886293 /nfs/dbraw/zinc/88/62/93/507886293.db2.gz NPVDBJPOUVGOTL-GFCCVEGCSA-N 1 0 365.455 2.539 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000108305863 507886346 /nfs/dbraw/zinc/88/63/46/507886346.db2.gz IRJKUBKZTNWJIQ-BXUZGUMPSA-N 1 0 367.833 2.616 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCC[C@H](Cn4ccnn4)C3)co2)cc1 ZINC000089934668 507887327 /nfs/dbraw/zinc/88/73/27/507887327.db2.gz OCSMXLPDTKZZDY-AWEZNQCLSA-N 1 0 368.397 2.754 20 5 FFBDRO C[NH+](C)[C@@H](CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)c1cccs1 ZINC000078923436 507916555 /nfs/dbraw/zinc/91/65/55/507916555.db2.gz YHAFNWTXLIHQDW-ZDUSSCGKSA-N 1 0 359.411 2.565 20 5 FFBDRO O=[N+]([O-])c1ccn(Cc2nc(-c3cccc(C[NH+]4CCCCC4)c3)no2)n1 ZINC000109570170 507969503 /nfs/dbraw/zinc/96/95/03/507969503.db2.gz PNDCGLZUPVWHTB-UHFFFAOYSA-N 1 0 368.397 2.876 20 5 FFBDRO C[NH+](C)CC(C)(C)CNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000079771256 508000031 /nfs/dbraw/zinc/00/00/31/508000031.db2.gz SVGNJKZROOEBHU-UHFFFAOYSA-N 1 0 358.236 2.675 20 5 FFBDRO CC(C)[NH+]1CCC(NC(=O)COc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000074374963 508017430 /nfs/dbraw/zinc/01/74/30/508017430.db2.gz WOBBZFZEIWCWRW-UHFFFAOYSA-N 1 0 355.822 2.616 20 5 FFBDRO CC[C@H]1CN(c2ccc(Br)cc2[N+](=O)[O-])CC[N@@H+]1C[C@@H](C)O ZINC000110559916 508033705 /nfs/dbraw/zinc/03/37/05/508033705.db2.gz IKYJOVDTVOXMDE-YPMHNXCESA-N 1 0 372.263 2.639 20 5 FFBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000110992513 508063893 /nfs/dbraw/zinc/06/38/93/508063893.db2.gz PMGBJZIJPOYQAR-LBPRGKRZSA-N 1 0 367.471 2.930 20 5 FFBDRO O=c1[nH]c2ccccc2cc1C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000111192734 508077303 /nfs/dbraw/zinc/07/73/03/508077303.db2.gz NMLGBNJSTHDLKF-UHFFFAOYSA-N 1 0 364.405 2.759 20 5 FFBDRO COc1cc(F)c([N+](=O)[O-])c(NC2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000080644624 508091283 /nfs/dbraw/zinc/09/12/83/508091283.db2.gz WWONEJQCSRIDKY-LBPRGKRZSA-N 1 0 353.394 2.655 20 5 FFBDRO CCC[NH+](CCC)CCCNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000111600273 508109957 /nfs/dbraw/zinc/10/99/57/508109957.db2.gz XHIGBMNJABWDGE-UHFFFAOYSA-N 1 0 374.441 2.678 20 5 FFBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccccc1OCC(=O)NC ZINC000075819315 508135516 /nfs/dbraw/zinc/13/55/16/508135516.db2.gz UNNSAVJFKROHPV-KRWDZBQOSA-N 1 0 357.410 2.961 20 5 FFBDRO CN(CC[C@H]1CCCC[N@@H+]1C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000075860887 508138062 /nfs/dbraw/zinc/13/80/62/508138062.db2.gz MIEODZKNSOKLLC-OAHLLOKOSA-N 1 0 359.430 2.951 20 5 FFBDRO CC(=O)Nc1ccccc1C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000093534764 508148438 /nfs/dbraw/zinc/14/84/38/508148438.db2.gz FVULVTLCALYBTF-HNNXBMFYSA-N 1 0 355.398 2.635 20 5 FFBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000081332592 508163632 /nfs/dbraw/zinc/16/36/32/508163632.db2.gz LKAUKIUCBWIWSE-HNNXBMFYSA-N 1 0 371.441 2.584 20 5 FFBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000081363234 508167768 /nfs/dbraw/zinc/16/77/68/508167768.db2.gz HIVYMPBUQMCNGA-OAHLLOKOSA-N 1 0 358.442 2.740 20 5 FFBDRO CCc1nn(C)c(N[C@@H](C)C[NH+]2CCN(c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000094166122 508171568 /nfs/dbraw/zinc/17/15/68/508171568.db2.gz VXEIRJIDCXCDSI-HNNXBMFYSA-N 1 0 372.473 2.513 20 5 FFBDRO C[NH+](C)CCC1CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 ZINC000112924969 508233744 /nfs/dbraw/zinc/23/37/44/508233744.db2.gz WPBRMYLZMHDALW-UHFFFAOYSA-N 1 0 374.485 2.999 20 5 FFBDRO C[C@H]1C[NH+](CCCCNC(=O)/C=C/c2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000083043592 508234809 /nfs/dbraw/zinc/23/48/09/508234809.db2.gz MKCLJIMBECHRSI-IGXNXKSNSA-N 1 0 361.442 2.614 20 5 FFBDRO CN(C(=O)c1ccc(N)c([N+](=O)[O-])c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000113208015 508251040 /nfs/dbraw/zinc/25/10/40/508251040.db2.gz GQZITVHNTYSBGG-UHFFFAOYSA-N 1 0 368.437 2.914 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CC[C@H](Nc3ccccc3)C2)c1 ZINC000076757176 508251405 /nfs/dbraw/zinc/25/14/05/508251405.db2.gz PEFMUNWZNDACBX-WMZOPIPTSA-N 1 0 357.410 2.521 20 5 FFBDRO NC(=O)c1ccc(C[N@@H+]2CC[C@H](Cc3ccc(F)cc3)C2)c([N+](=O)[O-])c1 ZINC000076805932 508255466 /nfs/dbraw/zinc/25/54/66/508255466.db2.gz OXYKSAUPQJJPLV-CQSZACIVSA-N 1 0 357.385 2.897 20 5 FFBDRO C[NH+](C)CCOc1ccccc1CNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000102006656 508264426 /nfs/dbraw/zinc/26/44/26/508264426.db2.gz AWJOIJSLNFGRHV-UHFFFAOYSA-N 1 0 372.425 2.535 20 5 FFBDRO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NC1CC[NH+](C2CC2)CC1 ZINC000077188377 508285249 /nfs/dbraw/zinc/28/52/49/508285249.db2.gz OANPTIILCZCVMN-UHFFFAOYSA-N 1 0 351.378 2.949 20 5 FFBDRO CCOc1ccc(NC(=O)C[N@H+](C(C)C)C2CCOCC2)c([N+](=O)[O-])c1 ZINC000077357020 508305001 /nfs/dbraw/zinc/30/50/01/508305001.db2.gz MRTGFJRQYXPFJY-UHFFFAOYSA-N 1 0 365.430 2.821 20 5 FFBDRO CN1CC[C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000377673636 512389722 /nfs/dbraw/zinc/38/97/22/512389722.db2.gz MVJLOHRLKFZEFX-CVEARBPZSA-N 1 0 367.812 2.619 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000114641562 508332960 /nfs/dbraw/zinc/33/29/60/508332960.db2.gz RGKXQMXLPAYCTA-INIZCTEOSA-N 1 0 369.421 2.998 20 5 FFBDRO CCOC(=O)c1ccnc(NC2CC[NH+](CC(C)C)CC2)c1[N+](=O)[O-] ZINC000077909381 508390822 /nfs/dbraw/zinc/39/08/22/508390822.db2.gz ZWPWYFGVTQBOKB-UHFFFAOYSA-N 1 0 350.419 2.699 20 5 FFBDRO C[C@@H]1C[C@@H](N(C)C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000121869895 508436924 /nfs/dbraw/zinc/43/69/24/508436924.db2.gz AXTBWXRWQFSWJJ-MFKMUULPSA-N 1 0 370.247 2.912 20 5 FFBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000156671450 508459920 /nfs/dbraw/zinc/45/99/20/508459920.db2.gz ZTLHAKWTCNYICR-YJBOKZPZSA-N 1 0 368.437 2.643 20 5 FFBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000377685554 512397252 /nfs/dbraw/zinc/39/72/52/512397252.db2.gz ZOKJXSSEJLTZQA-ZFWWWQNUSA-N 1 0 367.812 2.656 20 5 FFBDRO C[NH+](C)CC[C@@H](NC(=O)NCCc1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000116423792 508511987 /nfs/dbraw/zinc/51/19/87/508511987.db2.gz ZXDFHILKZPWADC-MRXNPFEDSA-N 1 0 350.463 2.803 20 5 FFBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1SCCOC ZINC000128093413 508546739 /nfs/dbraw/zinc/54/67/39/508546739.db2.gz KMONPESPZAYWIK-CQSZACIVSA-N 1 0 367.471 2.547 20 5 FFBDRO C[C@@H]1CCC[C@@](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)([NH+](C)C)C1 ZINC000116749252 508554474 /nfs/dbraw/zinc/55/44/74/508554474.db2.gz CLALIIYJXDKSON-PIGZYNQJSA-N 1 0 352.410 2.556 20 5 FFBDRO C[C@H](C(=O)N1CCc2ccccc2C1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153350986 508574422 /nfs/dbraw/zinc/57/44/22/508574422.db2.gz LCVAKPTZUDOPAD-OAHLLOKOSA-N 1 0 365.433 2.926 20 5 FFBDRO Cc1ccc(CNC(=O)[C@H](C)N2CCc3c(cccc3[N+](=O)[O-])C2)cc1 ZINC000153351215 508574734 /nfs/dbraw/zinc/57/47/34/508574734.db2.gz KRVULTOBXWCLIO-HNNXBMFYSA-N 1 0 353.422 2.966 20 5 FFBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000157709330 508601171 /nfs/dbraw/zinc/60/11/71/508601171.db2.gz MWBBTOCVUNKOAR-OAHLLOKOSA-N 1 0 371.441 2.775 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000122945843 508611749 /nfs/dbraw/zinc/61/17/49/508611749.db2.gz LHOFJONZTILPNW-CQSZACIVSA-N 1 0 362.430 2.989 20 5 FFBDRO Cc1c(NC(=O)CC[N@@H+](C)[C@H]2CCCc3c2cnn3C)cccc1[N+](=O)[O-] ZINC000135563840 508624768 /nfs/dbraw/zinc/62/47/68/508624768.db2.gz JDILXTWDKGCAIT-KRWDZBQOSA-N 1 0 371.441 2.975 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@@H]1CCCc2c1cnn2C ZINC000135575564 508625317 /nfs/dbraw/zinc/62/53/17/508625317.db2.gz OVJZHKYGZZIDNO-QGZVFWFLSA-N 1 0 371.441 2.975 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@H]1CCCc2c1cnn2C ZINC000135575585 508625810 /nfs/dbraw/zinc/62/58/10/508625810.db2.gz OVJZHKYGZZIDNO-KRWDZBQOSA-N 1 0 371.441 2.975 20 5 FFBDRO CCOc1ccc([C@H](C)NC[C@H](O)C[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000153702670 508629584 /nfs/dbraw/zinc/62/95/84/508629584.db2.gz BUAAZTKKEPMLAV-RDJZCZTQSA-N 1 0 365.474 2.737 20 5 FFBDRO CO[C@@H]1CC[C@H]2OCC[N@H+](CCCOc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000157977922 508641446 /nfs/dbraw/zinc/64/14/46/508641446.db2.gz AOLZDXUJGLRTSH-KZNAEPCWSA-N 1 0 350.415 2.632 20 5 FFBDRO COC[C@@H](O)CC[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000153759603 508643446 /nfs/dbraw/zinc/64/34/46/508643446.db2.gz KTYBEYKJPGVPGT-KRWDZBQOSA-N 1 0 359.426 2.850 20 5 FFBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC(CCC[NH+](C)C)CC1 ZINC000123155241 508644421 /nfs/dbraw/zinc/64/44/21/508644421.db2.gz ACXXQSPSPMGDQG-HNNXBMFYSA-N 1 0 362.474 2.976 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC(CCC[NH+](C)C)CC1 ZINC000123235332 508656327 /nfs/dbraw/zinc/65/63/27/508656327.db2.gz PJJOKCJYRYNHPK-UHFFFAOYSA-N 1 0 362.474 2.896 20 5 FFBDRO CC[NH2+]Cc1cccc(NC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)c1 ZINC000123285148 508663388 /nfs/dbraw/zinc/66/33/88/508663388.db2.gz BAPFLFLXPFUYEM-UHFFFAOYSA-N 1 0 359.382 2.730 20 5 FFBDRO O=C(CN1CCC[C@@H]([NH+]2CCCC2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000118830045 508680332 /nfs/dbraw/zinc/68/03/32/508680332.db2.gz CWBYYHSXBNSTFX-CQSZACIVSA-N 1 0 366.849 2.747 20 5 FFBDRO O=C(CC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)Nc1ccccc1F ZINC000118866182 508689194 /nfs/dbraw/zinc/68/91/94/508689194.db2.gz SFMJZUSUQMMZDR-ZDUSSCGKSA-N 1 0 373.388 2.644 20 5 FFBDRO C[N@@H+]1CCC[C@H]2CN(c3ncc(Br)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000129183030 508695328 /nfs/dbraw/zinc/69/53/28/508695328.db2.gz JRMUEUOWXNDUTD-JQWIXIFHSA-N 1 0 355.236 2.673 20 5 FFBDRO Cc1sc(S(=O)(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000123870574 508750571 /nfs/dbraw/zinc/75/05/71/508750571.db2.gz BDYHJSUSGMBXPF-ZDUSSCGKSA-N 1 0 373.500 2.604 20 5 FFBDRO CCC[NH+]1CCC(N(C)S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)CC1 ZINC000154286076 508752017 /nfs/dbraw/zinc/75/20/17/508752017.db2.gz LJJHGTRUBVHONN-UHFFFAOYSA-N 1 0 373.450 2.537 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)NC3(C[NH3+])CCCC3)cc2[N+](=O)[O-])C1 ZINC000154304318 508756534 /nfs/dbraw/zinc/75/65/34/508756534.db2.gz HCEGYXORNUKJSJ-CQSZACIVSA-N 1 0 360.458 2.832 20 5 FFBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N1CC[NH+](C2CCCCC2)CC1 ZINC000154599878 508817112 /nfs/dbraw/zinc/81/71/12/508817112.db2.gz WTLQXPMPROXSDA-UHFFFAOYSA-N 1 0 361.442 2.841 20 5 FFBDRO Cc1c(CC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000159503398 508850820 /nfs/dbraw/zinc/85/08/20/508850820.db2.gz DKRPWMBIIMAQCX-QGZVFWFLSA-N 1 0 357.410 2.992 20 5 FFBDRO COc1ccc(-c2ccc(C[N@@H+]3C[C@@H](C(N)=O)CC[C@@H]3C)o2)c([N+](=O)[O-])c1 ZINC000159604139 508864499 /nfs/dbraw/zinc/86/44/99/508864499.db2.gz KTFZZGLSCLWPBM-STQMWFEESA-N 1 0 373.409 2.949 20 5 FFBDRO CC[C@@H]1CN(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)CC[N@@H+]1C[C@@H](C)O ZINC000119959210 508897797 /nfs/dbraw/zinc/89/77/97/508897797.db2.gz KWSVXHNLLKJAKJ-HUUCEWRRSA-N 1 0 364.446 2.521 20 5 FFBDRO C[C@H]1SCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@@H]1c1ccccc1 ZINC000159834171 508898668 /nfs/dbraw/zinc/89/86/68/508898668.db2.gz ZPMWIUJVEGKWOU-KDOFPFPSSA-N 1 0 359.451 2.935 20 5 FFBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000119968114 508900199 /nfs/dbraw/zinc/90/01/99/508900199.db2.gz RABNTDQUBHHAAN-RDJZCZTQSA-N 1 0 369.421 2.610 20 5 FFBDRO NC(=O)[C@H]1CCC[C@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000120081568 508924329 /nfs/dbraw/zinc/92/43/29/508924329.db2.gz KOVACGMFHHNFJR-AAEUAGOBSA-N 1 0 360.439 2.852 20 5 FFBDRO C[C@H]1C[C@H]([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CN1C1CC1 ZINC000151102479 508956794 /nfs/dbraw/zinc/95/67/94/508956794.db2.gz XPMHSOLAZYVRFZ-BBRMVZONSA-N 1 0 355.442 2.710 20 5 FFBDRO O=C(c1cc(F)c([N+](=O)[O-])cc1F)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000160272002 508963430 /nfs/dbraw/zinc/96/34/30/508963430.db2.gz XLBQNFWLFMJAIG-GFCCVEGCSA-N 1 0 353.369 2.964 20 5 FFBDRO COc1ccc(OCC[N@@H+]2CC[C@@H](Oc3ccncc3)C2)c([N+](=O)[O-])c1 ZINC000131802349 508970965 /nfs/dbraw/zinc/97/09/65/508970965.db2.gz ZGDXOVSAERBZHL-MRXNPFEDSA-N 1 0 359.382 2.531 20 5 FFBDRO CC(C)[NH+]1CCC(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000160689738 509021199 /nfs/dbraw/zinc/02/11/99/509021199.db2.gz PZMFJFVSEMHUOJ-UHFFFAOYSA-N 1 0 370.247 2.960 20 5 FFBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000120728258 509053283 /nfs/dbraw/zinc/05/32/83/509053283.db2.gz QLJYHESONXMVPU-HOCLYGCPSA-N 1 0 360.458 2.607 20 5 FFBDRO Cc1c([C@@H](C)[NH2+]C[C@@H](O)CN2CCc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000151788169 509083879 /nfs/dbraw/zinc/08/38/79/509083879.db2.gz COTLWQBJUWKGRR-VQIMIIECSA-N 1 0 369.465 2.973 20 5 FFBDRO CC(C)C[C@@](C)(C[NH3+])NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000155877794 509086500 /nfs/dbraw/zinc/08/65/00/509086500.db2.gz WJFHIYPYBGSJJW-AWEZNQCLSA-N 1 0 358.236 2.851 20 5 FFBDRO O=[N+]([O-])c1ccc(NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c([N+](=O)[O-])c1 ZINC000132975869 509099380 /nfs/dbraw/zinc/09/93/80/509099380.db2.gz DVRKHSPIPJGNCH-DOTOQJQBSA-N 1 0 364.402 2.683 20 5 FFBDRO C[NH2+]CCCNC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000120981846 509101860 /nfs/dbraw/zinc/10/18/60/509101860.db2.gz VJNNVKWVYXCHHY-ZDUSSCGKSA-N 1 0 357.414 2.502 20 5 FFBDRO CN(C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000161503736 509122837 /nfs/dbraw/zinc/12/28/37/509122837.db2.gz BALXOAWDQIJKDM-PBWFPOADSA-N 1 0 367.833 2.759 20 5 FFBDRO CCC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])C1 ZINC000121083230 509124648 /nfs/dbraw/zinc/12/46/48/509124648.db2.gz DSYZUHQUTXZMBY-OAHLLOKOSA-N 1 0 369.487 2.564 20 5 FFBDRO COc1cc(CN2CC[C@@H](C[NH+](C)C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000156308876 509157671 /nfs/dbraw/zinc/15/76/71/509157671.db2.gz PRBAWDLGHYZKAM-LBPRGKRZSA-N 1 0 373.400 2.631 20 5 FFBDRO CN(CC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000127091085 509165976 /nfs/dbraw/zinc/16/59/76/509165976.db2.gz PEEAWKWXHUDQHR-UHFFFAOYSA-N 1 0 356.426 2.841 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N[C@H]3CCC[C@@H]([NH3+])C3)cc2[N+](=O)[O-])CC1 ZINC000162237385 509181209 /nfs/dbraw/zinc/18/12/09/509181209.db2.gz QZROQTLWOSXNIP-CVEARBPZSA-N 1 0 360.458 2.831 20 5 FFBDRO C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C[N@@H+]1C1CC1 ZINC000182350656 509189608 /nfs/dbraw/zinc/18/96/08/509189608.db2.gz AGTQNNUJVALKDH-ZJUUUORDSA-N 1 0 355.341 2.551 20 5 FFBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)Cc3ccc([N+](=O)[O-])cc3Cl)CC[C@H]21 ZINC000247961972 509201004 /nfs/dbraw/zinc/20/10/04/509201004.db2.gz GJEJBNOHHNBZGN-XJKSGUPXSA-N 1 0 351.834 2.733 20 5 FFBDRO COc1ccc([C@@H](CCO)[NH2+]CC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000182395031 509213822 /nfs/dbraw/zinc/21/38/22/509213822.db2.gz LSUKOZAJGPXSMR-QGZVFWFLSA-N 1 0 373.409 2.564 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)[C@@H]1COc2ccccc21 ZINC000185579465 509247297 /nfs/dbraw/zinc/24/72/97/509247297.db2.gz ULTLXFZQAGNKGO-WFASDCNBSA-N 1 0 371.393 2.696 20 5 FFBDRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000185634280 509276375 /nfs/dbraw/zinc/27/63/75/509276375.db2.gz ZMYMWMMYOJCDLV-VIFPVBQESA-N 1 0 360.340 2.518 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H](c2ccc(Cl)cc2)C2CCC2)c1 ZINC000182601512 509325929 /nfs/dbraw/zinc/32/59/29/509325929.db2.gz WNGUTOLETWWKMJ-SJORKVTESA-N 1 0 364.833 2.937 20 5 FFBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NC2CC[NH+](CC3CCCC3)CC2)c1 ZINC000185733857 509329425 /nfs/dbraw/zinc/32/94/25/509329425.db2.gz HNTORLCLZIBVEN-UHFFFAOYSA-N 1 0 367.471 2.528 20 5 FFBDRO C[C@@H]1CN(C)c2ccccc2C[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248474790 509338324 /nfs/dbraw/zinc/33/83/24/509338324.db2.gz XJHJMEHATADSRF-NVXWUHKLSA-N 1 0 371.437 2.675 20 5 FFBDRO CCOC(=O)C[C@H](C)[N@H+](C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000182625256 509340560 /nfs/dbraw/zinc/34/05/60/509340560.db2.gz MEXGCAPEGOINFN-LBPRGKRZSA-N 1 0 351.403 2.505 20 5 FFBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000173000482 509344426 /nfs/dbraw/zinc/34/44/26/509344426.db2.gz RORJQWMVUPVIDL-UHFFFAOYSA-N 1 0 353.422 2.872 20 5 FFBDRO CCOc1cccc2cc([C@H](C)[NH2+]C[C@H](O)Cn3cc([N+](=O)[O-])cn3)oc21 ZINC000182649474 509350449 /nfs/dbraw/zinc/35/04/49/509350449.db2.gz SFOFAGRMYDIBGD-WFASDCNBSA-N 1 0 374.397 2.648 20 5 FFBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC(CN3CCc4ccccc43)CC2)n1 ZINC000176239819 509396978 /nfs/dbraw/zinc/39/69/78/509396978.db2.gz ZWQKBHNLYSPIKC-UHFFFAOYSA-N 1 0 355.442 2.566 20 5 FFBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000185885753 509406005 /nfs/dbraw/zinc/40/60/05/509406005.db2.gz IJADZZGZTIISRZ-CHWSQXEVSA-N 1 0 354.838 2.920 20 5 FFBDRO CCC[N@H+](C)C[C@H]1CCN(CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000176271607 509413622 /nfs/dbraw/zinc/41/36/22/509413622.db2.gz SNWBGQRPRWEWBO-OAHLLOKOSA-N 1 0 351.447 2.646 20 5 FFBDRO C[C@@H](NC(=O)CNc1ccccc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182821064 509442467 /nfs/dbraw/zinc/44/24/67/509442467.db2.gz OIFKCTLTOJQDGH-HUUCEWRRSA-N 1 0 360.458 2.776 20 5 FFBDRO COc1cccc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000248759282 509473588 /nfs/dbraw/zinc/47/35/88/509473588.db2.gz JFQHYUSZLNYSCH-NVXWUHKLSA-N 1 0 355.394 2.779 20 5 FFBDRO CC1CCN(c2ccc(C(=O)NC3(C[NH3+])CCCC3)cc2[N+](=O)[O-])CC1 ZINC000236669612 509475731 /nfs/dbraw/zinc/47/57/31/509475731.db2.gz MRQWJDLTHJOLLC-UHFFFAOYSA-N 1 0 360.458 2.832 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000173258694 509485119 /nfs/dbraw/zinc/48/51/19/509485119.db2.gz RKUJBHQCFCHVGZ-HUUCEWRRSA-N 1 0 369.487 2.562 20 5 FFBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2Br)C1 ZINC000192371409 509487325 /nfs/dbraw/zinc/48/73/25/509487325.db2.gz NWRGSJPKJPEQQG-GHMZBOCLSA-N 1 0 370.247 2.960 20 5 FFBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000264439418 509527565 /nfs/dbraw/zinc/52/75/65/509527565.db2.gz DOQRKSJNZBHVAW-CQSZACIVSA-N 1 0 362.386 2.512 20 5 FFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000248920093 509544839 /nfs/dbraw/zinc/54/48/39/509544839.db2.gz WNDFNMFVYCTQEZ-DNVCBOLYSA-N 1 0 368.437 2.915 20 5 FFBDRO Cc1c(Br)c(NC[C@@H]2CC[N@@H+](C3CC3)C2)ncc1[N+](=O)[O-] ZINC000165725496 509581880 /nfs/dbraw/zinc/58/18/80/509581880.db2.gz DSXQRHVWWVXTQY-JTQLQIEISA-N 1 0 355.236 2.957 20 5 FFBDRO Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000179722911 509591655 /nfs/dbraw/zinc/59/16/55/509591655.db2.gz MLOOXQWRMDUHCZ-UHFFFAOYSA-N 1 0 374.441 2.692 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000166307889 509601162 /nfs/dbraw/zinc/60/11/62/509601162.db2.gz IUIPNCTUNZPOGC-UHFFFAOYSA-N 1 0 369.487 2.646 20 5 FFBDRO COc1cc(C[NH2+]C[C@H](O)c2ccc(F)cc2)c([N+](=O)[O-])cc1OC ZINC000237272682 509608087 /nfs/dbraw/zinc/60/80/87/509608087.db2.gz HIHUFBYPHMNCJJ-HNNXBMFYSA-N 1 0 350.346 2.574 20 5 FFBDRO COc1ccc(NC(=O)C[NH2+][C@H](CCCO)c2ccccc2)c([N+](=O)[O-])c1 ZINC000179761366 509609652 /nfs/dbraw/zinc/60/96/52/509609652.db2.gz WGDXKXZFWJDASS-MRXNPFEDSA-N 1 0 373.409 2.645 20 5 FFBDRO C[C@H]1C[NH+](CCCCNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000176704197 509649475 /nfs/dbraw/zinc/64/94/75/509649475.db2.gz OCMGRWQQVOUTFJ-MOVUHUBBSA-N 1 0 361.442 2.614 20 5 FFBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NC[C@@H]3CCC[NH2+]C3)cc2[N+](=O)[O-])C1 ZINC000237478372 509656739 /nfs/dbraw/zinc/65/67/39/509656739.db2.gz YGVPQRASJVLPFX-BZUAXINKSA-N 1 0 374.485 2.807 20 5 FFBDRO COc1cc(C[N@@H+]2CC[C@@H](O)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000179951903 509686065 /nfs/dbraw/zinc/68/60/65/509686065.db2.gz WORNPQPKRAEYJI-QGZVFWFLSA-N 1 0 358.394 2.749 20 5 FFBDRO COCCO[C@@H]1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000189668538 509692405 /nfs/dbraw/zinc/69/24/05/509692405.db2.gz RBKSBJIJZNLIKA-MRXNPFEDSA-N 1 0 361.398 2.530 20 5 FFBDRO Cc1ccc([C@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)N2CCOCC2)o1 ZINC000237636419 509698084 /nfs/dbraw/zinc/69/80/84/509698084.db2.gz PZYVQGDNIYKJKL-AWEZNQCLSA-N 1 0 351.428 2.721 20 5 FFBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000173666514 509708951 /nfs/dbraw/zinc/70/89/51/509708951.db2.gz JIIRFWPGFGDVQE-HNNXBMFYSA-N 1 0 369.487 2.652 20 5 FFBDRO C[NH+](C)Cc1ccsc1C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000268011122 509716129 /nfs/dbraw/zinc/71/61/29/509716129.db2.gz GUFPADSLNOSTEK-UHFFFAOYSA-N 1 0 374.466 2.680 20 5 FFBDRO C[C@H]1CCCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)[C@@H]1C[NH3+] ZINC000237733935 509722647 /nfs/dbraw/zinc/72/26/47/509722647.db2.gz JMLSFIHNEOBUAU-MGPUTAFESA-N 1 0 363.461 2.741 20 5 FFBDRO [NH3+]C1(CNC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CCCCCC1 ZINC000237777521 509733231 /nfs/dbraw/zinc/73/32/31/509733231.db2.gz RBBKXXRDIYNEFZ-UHFFFAOYSA-N 1 0 357.414 2.562 20 5 FFBDRO C[N@@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000180095516 509749709 /nfs/dbraw/zinc/74/97/09/509749709.db2.gz TUSHOFXSYZWVLP-SJORKVTESA-N 1 0 370.365 2.678 20 5 FFBDRO Cc1ccc([C@@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)N2CCOCC2)o1 ZINC000237888273 509762491 /nfs/dbraw/zinc/76/24/91/509762491.db2.gz PZYVQGDNIYKJKL-CQSZACIVSA-N 1 0 351.428 2.721 20 5 FFBDRO CCOC[C@H]([NH2+][C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)C(C)C ZINC000189811014 509764801 /nfs/dbraw/zinc/76/48/01/509764801.db2.gz PBVSFEWDSBTULO-DOMZBBRYSA-N 1 0 353.419 2.581 20 5 FFBDRO Cn1cc(C[NH2+]CCCOC[C@H]2CCCO2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237913934 509770554 /nfs/dbraw/zinc/77/05/54/509770554.db2.gz RRGBJFZDMHMWAV-GOSISDBHSA-N 1 0 374.441 2.671 20 5 FFBDRO C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000186586518 509788227 /nfs/dbraw/zinc/78/82/27/509788227.db2.gz OJNMNIFRODXMNT-GUYCJALGSA-N 1 0 363.439 2.565 20 5 FFBDRO CCC[NH+]1CCC(N(C)S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])CC1 ZINC000189885734 509809162 /nfs/dbraw/zinc/80/91/62/509809162.db2.gz CFVWRBDJTDIVBV-UHFFFAOYSA-N 1 0 369.487 2.707 20 5 FFBDRO CC[NH+]1CCC(CCNS(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])CC1 ZINC000190014656 509885122 /nfs/dbraw/zinc/88/51/22/509885122.db2.gz RGHSHROJVWTGCT-UHFFFAOYSA-N 1 0 369.487 2.612 20 5 FFBDRO O=C(Nc1nc2c(s1)COCC2)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000171022551 509894159 /nfs/dbraw/zinc/89/41/59/509894159.db2.gz LLHKGGPGEGEANU-UHFFFAOYSA-N 1 0 371.378 2.562 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000193399283 509896776 /nfs/dbraw/zinc/89/67/76/509896776.db2.gz NHMFIGCOJTZNHG-UHFFFAOYSA-N 1 0 364.446 2.666 20 5 FFBDRO COCc1ccc(CNC(=O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000180396113 509902945 /nfs/dbraw/zinc/90/29/45/509902945.db2.gz PJKKIPCTESPAEF-CQSZACIVSA-N 1 0 357.410 2.708 20 5 FFBDRO C[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000180426307 509920009 /nfs/dbraw/zinc/92/00/09/509920009.db2.gz ZFZSMKMEVWGIAI-LRDDRELGSA-N 1 0 361.354 2.594 20 5 FFBDRO C[C@@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000180426325 509920367 /nfs/dbraw/zinc/92/03/67/509920367.db2.gz ZFZSMKMEVWGIAI-WBMJQRKESA-N 1 0 361.354 2.594 20 5 FFBDRO C[C@@H]1C[C@@H](NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000177195619 509930240 /nfs/dbraw/zinc/93/02/40/509930240.db2.gz FYYSZQRVIJMAAW-DGCLKSJQSA-N 1 0 367.833 2.759 20 5 FFBDRO C[C@H]1C[C@@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC000177208027 509937076 /nfs/dbraw/zinc/93/70/76/509937076.db2.gz NWMUOXNEWGHTPX-DZGCQCFKSA-N 1 0 358.442 2.550 20 5 FFBDRO C[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(Cl)c1Cl ZINC000183767494 509964989 /nfs/dbraw/zinc/96/49/89/509964989.db2.gz GTXNSMWACDWNQP-KOLCDFICSA-N 1 0 359.213 2.810 20 5 FFBDRO Nc1c(C(=O)NC2CC[NH+](C3CCCCC3)CC2)cc(F)cc1[N+](=O)[O-] ZINC000177261698 509967517 /nfs/dbraw/zinc/96/75/17/509967517.db2.gz KDPFUQXIKKAYDT-UHFFFAOYSA-N 1 0 364.421 2.843 20 5 FFBDRO CCOc1cc(C(=O)N2CC[C@@H]([NH+](CC)CC)C2)c([N+](=O)[O-])cc1OC ZINC000174150401 509971323 /nfs/dbraw/zinc/97/13/23/509971323.db2.gz HZRSKKCRCGJMOS-CYBMUJFWSA-N 1 0 365.430 2.558 20 5 FFBDRO COC(=O)c1cnc(NC[C@H](c2cccc(F)c2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000190164432 509978990 /nfs/dbraw/zinc/97/89/90/509978990.db2.gz CMVDIVXIKFRGQW-OAHLLOKOSA-N 1 0 362.361 2.630 20 5 FFBDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000177313949 509993571 /nfs/dbraw/zinc/99/35/71/509993571.db2.gz MLYLXVNYBWOSAT-UHFFFAOYSA-N 1 0 371.393 2.795 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCCC[NH+](C(C)C)C(C)C ZINC000174191314 509994360 /nfs/dbraw/zinc/99/43/60/509994360.db2.gz RDSXVJPUOUYCQQ-UHFFFAOYSA-N 1 0 366.462 2.912 20 5 FFBDRO CSc1ccc(C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000261821850 510077169 /nfs/dbraw/zinc/07/71/69/510077169.db2.gz SILPXRWYPMSLQT-LSDHHAIUSA-N 1 0 357.435 2.884 20 5 FFBDRO C[C@H](NC(=O)COc1ccccc1[N+](=O)[O-])[C@@H](c1ccccc1)[NH+](C)C ZINC000187180574 510107323 /nfs/dbraw/zinc/10/73/23/510107323.db2.gz XBKRSVBZSKIGMB-LIRRHRJNSA-N 1 0 357.410 2.781 20 5 FFBDRO [NH3+][C@@H]1CCC[C@H]1CC(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000261977877 510134918 /nfs/dbraw/zinc/13/49/18/510134918.db2.gz ODCYJWLNEHZUOI-CMPLNLGQSA-N 1 0 374.363 2.659 20 5 FFBDRO C[C@H]1C[C@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000180848468 510142542 /nfs/dbraw/zinc/14/25/42/510142542.db2.gz LSQILKSERRLOMD-GOEBONIOSA-N 1 0 368.437 2.960 20 5 FFBDRO C[C@H]1C[C@@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000180848505 510143214 /nfs/dbraw/zinc/14/32/14/510143214.db2.gz LSQILKSERRLOMD-HOCLYGCPSA-N 1 0 368.437 2.960 20 5 FFBDRO C[NH2+]CCC1CCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000262026839 510152552 /nfs/dbraw/zinc/15/25/52/510152552.db2.gz ZTGBLUJUFVWGGV-UHFFFAOYSA-N 1 0 354.838 2.508 20 5 FFBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)cc1OC ZINC000177599405 510153232 /nfs/dbraw/zinc/15/32/32/510153232.db2.gz FLWMSIRERLNEAM-QWHCGFSZSA-N 1 0 365.430 2.605 20 5 FFBDRO C[C@@H]1CN(C)C[C@H](C)N1C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000190510277 510175140 /nfs/dbraw/zinc/17/51/40/510175140.db2.gz HTMLEUGEERVMDV-AOOOYVTPSA-N 1 0 356.220 2.522 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC[C@@H](Nc3ccccc3)C2)c1 ZINC000246021976 510255088 /nfs/dbraw/zinc/25/50/88/510255088.db2.gz PEFMUNWZNDACBX-SJLPKXTDSA-N 1 0 357.410 2.521 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCS[C@@H]2CCCC[C@H]21 ZINC000246068905 510274322 /nfs/dbraw/zinc/27/43/22/510274322.db2.gz CEXUTQPLLWMSGW-GDBMZVCRSA-N 1 0 365.455 2.902 20 5 FFBDRO CCOc1ccc([C@H](C)[NH2+]C2CCC(S(C)(=O)=O)CC2)cc1[N+](=O)[O-] ZINC000181118681 510281050 /nfs/dbraw/zinc/28/10/50/510281050.db2.gz UBDXWUXIBWKCNQ-GRTSSRMGSA-N 1 0 370.471 3.000 20 5 FFBDRO COc1ccc(C[NH2+]C2CCN(C(=O)c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000171676036 510301920 /nfs/dbraw/zinc/30/19/20/510301920.db2.gz WELZRHSMZSNPSR-UHFFFAOYSA-N 1 0 369.421 2.998 20 5 FFBDRO C[C@@H](Nc1ccc(C(=O)N[C@@H](C[NH3+])C2CC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000262577036 510323070 /nfs/dbraw/zinc/32/30/70/510323070.db2.gz GKRYNVUSORPOSF-PXAZEXFGSA-N 1 0 369.425 2.630 20 5 FFBDRO O=C(CCN1CC[NH+]([C@H]2C[C@H]3CC[C@@H]2C3)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000177963369 510349278 /nfs/dbraw/zinc/34/92/78/510349278.db2.gz GYXYEEPSBVAKPP-FCEWJHQRSA-N 1 0 372.469 2.730 20 5 FFBDRO Cc1ccc([C@H]([NH3+])C(=O)NCCCNc2ccc(C)cc2[N+](=O)[O-])cc1 ZINC000262649045 510353027 /nfs/dbraw/zinc/35/30/27/510353027.db2.gz KTASMLMSJCIMRV-SFHVURJKSA-N 1 0 356.426 2.830 20 5 FFBDRO CC[C@@H]([NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000178000189 510368230 /nfs/dbraw/zinc/36/82/30/510368230.db2.gz QDVFDNDYTALWQS-CQSZACIVSA-N 1 0 369.468 2.676 20 5 FFBDRO CCc1n[nH]c(C(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)c1[N+](=O)[O-] ZINC000171809339 510383125 /nfs/dbraw/zinc/38/31/25/510383125.db2.gz MHNRJQVSUFOTRZ-GFCCVEGCSA-N 1 0 359.430 2.740 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCN(C3CC[NH+](C(C)C)CC3)CC2)c1 ZINC000269446037 510411417 /nfs/dbraw/zinc/41/14/17/510411417.db2.gz FOPKWLXXBVFMCN-UHFFFAOYSA-N 1 0 374.485 2.534 20 5 FFBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000269496533 510435415 /nfs/dbraw/zinc/43/54/15/510435415.db2.gz KISFEUAFEIVELK-SJLPKXTDSA-N 1 0 372.469 2.796 20 5 FFBDRO CCc1n[nH]c(C(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)c1[N+](=O)[O-] ZINC000246374419 510453868 /nfs/dbraw/zinc/45/38/68/510453868.db2.gz MCOLVTOKXHLXRB-ZIAGYGMSSA-N 1 0 363.462 2.607 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000178142263 510454199 /nfs/dbraw/zinc/45/41/99/510454199.db2.gz MHKGWQAODARLPG-AWEZNQCLSA-N 1 0 361.442 2.874 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc(O)c1 ZINC000181533731 510459634 /nfs/dbraw/zinc/45/96/34/510459634.db2.gz SEMDTVAYVBLDRG-NWDGAFQWSA-N 1 0 359.382 2.987 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000175212126 510534811 /nfs/dbraw/zinc/53/48/11/510534811.db2.gz JDRPLTSESJJQDO-CQSZACIVSA-N 1 0 371.441 2.911 20 5 FFBDRO COc1ccccc1[C@H](CC(C)C)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000181717171 510555521 /nfs/dbraw/zinc/55/55/21/510555521.db2.gz SLKBLNVUMUTLBN-WBVHZDCISA-N 1 0 362.430 2.538 20 5 FFBDRO COC(=O)c1cccc(NC(=O)C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000181819986 510611398 /nfs/dbraw/zinc/61/13/98/510611398.db2.gz SCHGJNDYDDVRPJ-ZDUSSCGKSA-N 1 0 371.393 2.979 20 5 FFBDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cc2ccccc2c2cccnc12 ZINC000178515423 510639592 /nfs/dbraw/zinc/63/95/92/510639592.db2.gz UICNNYBUVDNQHU-QGZVFWFLSA-N 1 0 363.461 2.965 20 5 FFBDRO C[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1ccc(-n2cncn2)cc1 ZINC000181902084 510649939 /nfs/dbraw/zinc/64/99/39/510649939.db2.gz KUYNJNPAADZSIQ-CQSZACIVSA-N 1 0 353.382 2.905 20 5 FFBDRO O=c1cc(C[N@H+]2CCC[C@@H](OCCO)C2)c2c(ccc3ccccc32)o1 ZINC000172302444 510656900 /nfs/dbraw/zinc/65/69/00/510656900.db2.gz RFTJKGWVKPVCTG-QGZVFWFLSA-N 1 0 353.418 2.920 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)[C@H](CCO)c1ccccc1 ZINC000266627512 510696260 /nfs/dbraw/zinc/69/62/60/510696260.db2.gz OIEGHTSRJDDXBF-QGZVFWFLSA-N 1 0 373.409 2.597 20 5 FFBDRO C[C@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1ccc(-n2ccnn2)cc1 ZINC000182020842 510714413 /nfs/dbraw/zinc/71/44/13/510714413.db2.gz HYHIMOOOZCLKHU-AWEZNQCLSA-N 1 0 353.382 2.905 20 5 FFBDRO O=[N+]([O-])c1c2cccnc2ccc1N1CC[NH+](CC2CCOCC2)CC1 ZINC000172411188 510714599 /nfs/dbraw/zinc/71/45/99/510714599.db2.gz ZYGDMMNORBDYHL-UHFFFAOYSA-N 1 0 356.426 2.692 20 5 FFBDRO Cc1cccc(C[C@H](CO)[NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000191606013 510746456 /nfs/dbraw/zinc/74/64/56/510746456.db2.gz QNRBRGWHSUXGNO-MAUKXSAKSA-N 1 0 371.437 2.814 20 5 FFBDRO Cc1cc(NC[C@@H](O)C[NH+]2CCCCC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000195303226 510773622 /nfs/dbraw/zinc/77/36/22/510773622.db2.gz IMKVAOZBPXSFCD-QGZVFWFLSA-N 1 0 371.441 2.619 20 5 FFBDRO Cc1csc(C(C)(C)[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])n1 ZINC000182177385 510797234 /nfs/dbraw/zinc/79/72/34/510797234.db2.gz BAAXTYPBDAFRJY-GFCCVEGCSA-N 1 0 351.428 2.624 20 5 FFBDRO C[C@@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000182176838 510797308 /nfs/dbraw/zinc/79/73/08/510797308.db2.gz JGFWEMUSFBAABL-YPMHNXCESA-N 1 0 352.337 2.964 20 5 FFBDRO C[C@H]([NH3+])C1CCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000178842324 510799764 /nfs/dbraw/zinc/79/97/64/510799764.db2.gz RCNOBWAGPYTOSW-NSHDSACASA-N 1 0 360.439 2.918 20 5 FFBDRO COC(=O)[C@H]1CCCC[C@@]1(C)[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000270436588 510809113 /nfs/dbraw/zinc/80/91/13/510809113.db2.gz KDQQDESCLFSSPS-RDTXWAMCSA-N 1 0 374.397 2.856 20 5 FFBDRO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000185352112 510818490 /nfs/dbraw/zinc/81/84/90/510818490.db2.gz QLMZHXJVALENTR-HNNXBMFYSA-N 1 0 362.451 2.898 20 5 FFBDRO CCCN(C(=O)Cc1ccc([N+](=O)[O-])cc1Br)[C@H]1CC[NH2+]C1 ZINC000178901818 510827872 /nfs/dbraw/zinc/82/78/72/510827872.db2.gz FQPOJRXOAOLDDO-ZDUSSCGKSA-N 1 0 370.247 2.500 20 5 FFBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000247302989 510856190 /nfs/dbraw/zinc/85/61/90/510856190.db2.gz VDCCLMSEVGPAFL-YOEHRIQHSA-N 1 0 364.446 2.853 20 5 FFBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](Cc2nccn2C)C1 ZINC000247334925 510857545 /nfs/dbraw/zinc/85/75/45/510857545.db2.gz VSMYRLNAXWWUJV-GJZGRUSLSA-N 1 0 371.441 2.610 20 5 FFBDRO Cn1nccc1[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000360306299 510895683 /nfs/dbraw/zinc/89/56/83/510895683.db2.gz WHCSOSOKLCHQHU-CQSZACIVSA-N 1 0 357.414 2.537 20 5 FFBDRO CC[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccc(OC)c(OC)c1 ZINC000285518514 510939892 /nfs/dbraw/zinc/93/98/92/510939892.db2.gz RKFOSEXJKHZLFS-OAHLLOKOSA-N 1 0 361.398 2.515 20 5 FFBDRO Cc1c(NC(=O)CC[N@H+]2CC=C(c3ccnn3C)CC2)cccc1[N+](=O)[O-] ZINC000285546417 510949780 /nfs/dbraw/zinc/94/97/80/510949780.db2.gz IMVVBSBVXCKQQY-UHFFFAOYSA-N 1 0 369.425 2.755 20 5 FFBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000285612365 510978103 /nfs/dbraw/zinc/97/81/03/510978103.db2.gz QEYPASWBAKRZAW-HIFRSBDPSA-N 1 0 364.421 2.621 20 5 FFBDRO Cc1noc([C@@H]2CCCN2CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)n1 ZINC000285651500 510994937 /nfs/dbraw/zinc/99/49/37/510994937.db2.gz MIQCLRLJRGLHOC-AWEZNQCLSA-N 1 0 363.349 2.591 20 5 FFBDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000278812339 511007442 /nfs/dbraw/zinc/00/74/42/511007442.db2.gz HMJLMQBJLYXBBZ-INIZCTEOSA-N 1 0 363.458 2.549 20 5 FFBDRO C[NH+]1CCC([C@H]2CCN(c3c(Br)cncc3[N+](=O)[O-])C2)CC1 ZINC000270888217 511016035 /nfs/dbraw/zinc/01/60/35/511016035.db2.gz FWJFLNQBUGPHSI-LBPRGKRZSA-N 1 0 369.263 2.920 20 5 FFBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000270997746 511051925 /nfs/dbraw/zinc/05/19/25/511051925.db2.gz LEVZPPALNTXCMB-ZDUSSCGKSA-N 1 0 360.458 2.971 20 5 FFBDRO COc1cc(C(=O)N2CCC([NH+]3CCCCC3)CC2)c([N+](=O)[O-])cc1F ZINC000294404960 511053697 /nfs/dbraw/zinc/05/36/97/511053697.db2.gz DWLSUCJDXKHLPO-UHFFFAOYSA-N 1 0 365.405 2.833 20 5 FFBDRO C[C@@H]1C[C@@H](NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000279381560 511063197 /nfs/dbraw/zinc/06/31/97/511063197.db2.gz VAFJGJCBGCYDKB-MWLCHTKSSA-N 1 0 355.797 2.671 20 5 FFBDRO CN(C)C(=O)C1(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCCC1 ZINC000331531306 511066586 /nfs/dbraw/zinc/06/65/86/511066586.db2.gz DWOVWXBYJDCVID-GJZGRUSLSA-N 1 0 363.462 2.513 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000297802762 511072707 /nfs/dbraw/zinc/07/27/07/511072707.db2.gz HYUZMUFZFQQSIT-HZPDHXFCSA-N 1 0 363.414 2.575 20 5 FFBDRO C[C@H]1C[C@@H](N(C)C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000279408194 511072900 /nfs/dbraw/zinc/07/29/00/511072900.db2.gz XBLXCHDOPRWBKL-JQWIXIFHSA-N 1 0 357.813 2.871 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000361654163 511076102 /nfs/dbraw/zinc/07/61/02/511076102.db2.gz YRPNHRFSAUARRF-OAHLLOKOSA-N 1 0 369.425 2.901 20 5 FFBDRO C[C@H]1CN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000362077899 511128075 /nfs/dbraw/zinc/12/80/75/511128075.db2.gz KMUVLQZHZQQRQZ-WMLDXEAASA-N 1 0 366.893 2.706 20 5 FFBDRO CS(=O)(=O)C1(C[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000279666069 511169323 /nfs/dbraw/zinc/16/93/23/511169323.db2.gz MOPFTOBTMNMBOH-UHFFFAOYSA-N 1 0 350.396 2.522 20 5 FFBDRO Cc1cc(S(=O)(=O)N(C)C2CC[NH+](C(C)C)CC2)cc([N+](=O)[O-])c1F ZINC000271378416 511184456 /nfs/dbraw/zinc/18/44/56/511184456.db2.gz FKMJXLUGMQCMRM-UHFFFAOYSA-N 1 0 373.450 2.536 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)NCCC[C@@H]2CCC[NH2+]2)cc1SC ZINC000294846605 511197169 /nfs/dbraw/zinc/19/71/69/511197169.db2.gz NABULZDXXMDAKD-NSHDSACASA-N 1 0 353.444 2.587 20 5 FFBDRO CCOC(=O)[C@H](C)[C@H](C)[NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000283019869 511202116 /nfs/dbraw/zinc/20/21/16/511202116.db2.gz GVDOIGVCKIWQFR-VWYCJHECSA-N 1 0 371.821 2.753 20 5 FFBDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000365006288 511203021 /nfs/dbraw/zinc/20/30/21/511203021.db2.gz VTTWMPAVRRAUPO-INIZCTEOSA-N 1 0 354.410 2.524 20 5 FFBDRO C[C@H](O)C[C@@H]1CCCCN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000279824585 511230888 /nfs/dbraw/zinc/23/08/88/511230888.db2.gz QQOIGGPCHLLRHL-ZFWWWQNUSA-N 1 0 358.398 2.546 20 5 FFBDRO COc1cc(C[N@H+](C)[C@@H](C)C(C)(C)O)c([N+](=O)[O-])cc1OCC(F)F ZINC000295125902 511291245 /nfs/dbraw/zinc/29/12/45/511291245.db2.gz JHQUXAABRJURKX-JTQLQIEISA-N 1 0 362.373 2.839 20 5 FFBDRO C[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C[C@H](O)CNC(=O)OC(C)(C)C ZINC000295207056 511320859 /nfs/dbraw/zinc/32/08/59/511320859.db2.gz ZMSYIVOHLIMQRJ-GFCCVEGCSA-N 1 0 373.837 2.566 20 5 FFBDRO O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000365229134 511328972 /nfs/dbraw/zinc/32/89/72/511328972.db2.gz VCYNKZWKDXALFD-BXUZGUMPSA-N 1 0 358.423 2.542 20 5 FFBDRO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000363099660 511351886 /nfs/dbraw/zinc/35/18/86/511351886.db2.gz WUANTXJMKLOOLW-WDEREUQCSA-N 1 0 370.356 2.945 20 5 FFBDRO CC(C)[N@H+](C)Cc1ccccc1CNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000298708173 511383054 /nfs/dbraw/zinc/38/30/54/511383054.db2.gz JXSRSMNGVKJSNA-UHFFFAOYSA-N 1 0 357.414 2.541 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@](C)(OC)CC1 ZINC000280250676 511392387 /nfs/dbraw/zinc/39/23/87/511392387.db2.gz BMGCQFQEQHZNGD-SCLBCKFNSA-N 1 0 365.430 2.821 20 5 FFBDRO O=[N+]([O-])c1cnc2ccccc2c1N1CC[NH+](CC2CCOCC2)CC1 ZINC000292019774 511434141 /nfs/dbraw/zinc/43/41/41/511434141.db2.gz SQXDIXRLFUBAHJ-UHFFFAOYSA-N 1 0 356.426 2.692 20 5 FFBDRO COc1cc(CN2CC[C@]3(CC[N@H+](C)C3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000292155554 511486683 /nfs/dbraw/zinc/48/66/83/511486683.db2.gz OBAZBELCPVDBLW-KRWDZBQOSA-N 1 0 371.384 2.732 20 5 FFBDRO O=[N+]([O-])c1ccn(C2CC[NH+](CCOCC(F)(F)C(F)(F)F)CC2)n1 ZINC000365506363 511492477 /nfs/dbraw/zinc/49/24/77/511492477.db2.gz FDSXCPMUZQGOQL-UHFFFAOYSA-N 1 0 372.294 2.642 20 5 FFBDRO O=C(C[NH+]1CCC2(CCC(O)CC2)CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000295738335 511501005 /nfs/dbraw/zinc/50/10/05/511501005.db2.gz PNANGKZBTMDOHZ-UHFFFAOYSA-N 1 0 373.453 2.501 20 5 FFBDRO Cc1c(NC(=O)CC[N@H+]2CCC[C@H](c3nccn3C)C2)cccc1[N+](=O)[O-] ZINC000365625967 511566851 /nfs/dbraw/zinc/56/68/51/511566851.db2.gz IUUOGPVIVOMLBV-HNNXBMFYSA-N 1 0 371.441 2.845 20 5 FFBDRO COc1cc(OC)cc([C@@H](O)C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000283995542 511570252 /nfs/dbraw/zinc/57/02/52/511570252.db2.gz HMYTXSWMARFYKA-ZMZPIMSZSA-N 1 0 361.398 2.578 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](OC)C(C)(C)C1 ZINC000296148014 511634287 /nfs/dbraw/zinc/63/42/87/511634287.db2.gz TVFCAWHLLIKOBO-MRXNPFEDSA-N 1 0 365.430 2.679 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2nnc(C[NH2+][C@@H]3[C@@H]4CCO[C@H]4C34CCC4)o2)cc1 ZINC000296195510 511652187 /nfs/dbraw/zinc/65/21/87/511652187.db2.gz LVWGDADQTZDKJO-NUEKZKHPSA-N 1 0 356.382 2.692 20 5 FFBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000296215928 511659456 /nfs/dbraw/zinc/65/94/56/511659456.db2.gz CXJXRUGELZTOEC-DOTOQJQBSA-N 1 0 359.426 2.500 20 5 FFBDRO O=C(CC[N@@H+]1CC2(CCOCC2)[C@@H]1C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000296220217 511661946 /nfs/dbraw/zinc/66/19/46/511661946.db2.gz PGBYOOGHEAGDOJ-SFHVURJKSA-N 1 0 359.426 2.814 20 5 FFBDRO CC1(C)C[C@@H](O)CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000296238026 511666420 /nfs/dbraw/zinc/66/64/20/511666420.db2.gz WXGJLJIRLCNSLY-ZDUSSCGKSA-N 1 0 353.394 2.545 20 5 FFBDRO CCOc1ccc([C@H](O)C2CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)cc1 ZINC000365833953 511676525 /nfs/dbraw/zinc/67/65/25/511676525.db2.gz RBOFLUUTGKIGCX-IBGZPJMESA-N 1 0 374.441 2.636 20 5 FFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCC[C@@](CO)(Cc3ccccc3)C2)c1 ZINC000365841942 511681118 /nfs/dbraw/zinc/68/11/18/511681118.db2.gz PAZKGTREQWRUQX-LEWJYISDSA-N 1 0 370.449 2.945 20 5 FFBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@H](O)c3ccccc3Cl)CC2)n1 ZINC000365842949 511681985 /nfs/dbraw/zinc/68/19/85/511681985.db2.gz CPGBTVUXZHMTOW-HNNXBMFYSA-N 1 0 350.806 2.815 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H](c2cccs2)[NH+](C)C)n1 ZINC000281005938 511684981 /nfs/dbraw/zinc/68/49/81/511684981.db2.gz QDWDAGHZPYPTEC-LBPRGKRZSA-N 1 0 350.400 2.553 20 5 FFBDRO O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000363697484 511709489 /nfs/dbraw/zinc/70/94/89/511709489.db2.gz YTXVGDBSZSXONP-KRWDZBQOSA-N 1 0 372.469 2.508 20 5 FFBDRO C[C@H]([NH2+][C@@H]1CCN(C)[C@H]1c1ccccc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000284417812 511715049 /nfs/dbraw/zinc/71/50/49/511715049.db2.gz XRQWWNJLTSHVJB-YJLNNSPDSA-N 1 0 368.437 2.957 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)c1C ZINC000303038695 511725640 /nfs/dbraw/zinc/72/56/40/511725640.db2.gz ZHPKCHTZEMAMAD-CQSZACIVSA-N 1 0 369.487 2.610 20 5 FFBDRO C[N@@H+]1CCC[C@]2(CCN(Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)C1 ZINC000292883174 511757539 /nfs/dbraw/zinc/75/75/39/511757539.db2.gz FEGAFLSFWOHIEW-SFHVURJKSA-N 1 0 357.414 2.563 20 5 FFBDRO CC(C)[N@H+](CCOCCO)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000314614545 511796189 /nfs/dbraw/zinc/79/61/89/511796189.db2.gz YZDVHXHGIAFJAW-UHFFFAOYSA-N 1 0 361.236 2.577 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@](CO)(C(C)C)C1 ZINC000293050379 511821540 /nfs/dbraw/zinc/82/15/40/511821540.db2.gz MVHYZPUFRIPHEM-LJQANCHMSA-N 1 0 363.458 2.962 20 5 FFBDRO CCC[C@H]([NH2+]CCCN(CC)S(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000325124395 511845236 /nfs/dbraw/zinc/84/52/36/511845236.db2.gz AJDJPDZQWUVJBG-INIZCTEOSA-N 1 0 357.476 2.697 20 5 FFBDRO O=[N+]([O-])c1ccc2[nH]c(NC3CC[NH+](Cc4cccnc4)CC3)nc2c1 ZINC000296739031 511878121 /nfs/dbraw/zinc/87/81/21/511878121.db2.gz JNDOJXHQKFORCU-UHFFFAOYSA-N 1 0 352.398 2.943 20 5 FFBDRO O=[N+]([O-])c1cnc(C(F)(F)F)cc1NCCC[NH2+]Cc1cccnc1 ZINC000327823187 511881377 /nfs/dbraw/zinc/88/13/77/511881377.db2.gz ZSBLWFFCFBQAKO-UHFFFAOYSA-N 1 0 355.320 2.995 20 5 FFBDRO Cc1ccc(S(=O)(=O)N[C@@H](CCC[NH3+])c2ccccc2)cc1[N+](=O)[O-] ZINC000327803494 511882111 /nfs/dbraw/zinc/88/21/11/511882111.db2.gz GHVIKHQDEGWMGK-INIZCTEOSA-N 1 0 363.439 2.662 20 5 FFBDRO COc1cccc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)c1[N+](=O)[O-] ZINC000274682130 511909158 /nfs/dbraw/zinc/90/91/58/511909158.db2.gz INQZRJCAIWTERM-UHFFFAOYSA-N 1 0 362.474 2.598 20 5 FFBDRO CC(=O)c1cccc(OC[C@@H](O)C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000296863844 511927770 /nfs/dbraw/zinc/92/77/70/511927770.db2.gz ZAKBECJTEIMWJT-UGSOOPFHSA-N 1 0 358.394 2.888 20 5 FFBDRO COc1ccc(NC(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000274908095 511984912 /nfs/dbraw/zinc/98/49/12/511984912.db2.gz SFIYOYJOPBLZMH-CQSZACIVSA-N 1 0 362.430 2.943 20 5 FFBDRO C[C@H](NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285084397 511994208 /nfs/dbraw/zinc/99/42/08/511994208.db2.gz JSLALKCJHCMMPG-IXDGSTSKSA-N 1 0 362.474 2.596 20 5 FFBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH+]2CCC3(CC2)OCCCO3)c1 ZINC000293527595 511998554 /nfs/dbraw/zinc/99/85/54/511998554.db2.gz BLZLRHZIHMIKHO-UHFFFAOYSA-N 1 0 358.341 2.925 20 5 FFBDRO [NH3+]CC[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000281942685 512020150 /nfs/dbraw/zinc/02/01/50/512020150.db2.gz LIURZLOVGIBJNY-JTQLQIEISA-N 1 0 356.220 2.558 20 5 FFBDRO CS(=O)(=O)CC[C@H]1CCCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000366441814 512026345 /nfs/dbraw/zinc/02/63/45/512026345.db2.gz OXIJPFPFARGWIW-OAHLLOKOSA-N 1 0 370.471 2.653 20 5 FFBDRO COc1cc(C[NH2+][C@@H]2CCC[C@H]2CCO)c([N+](=O)[O-])cc1OC(F)F ZINC000275056915 512028169 /nfs/dbraw/zinc/02/81/69/512028169.db2.gz NPACDYJRTGJYSE-CMPLNLGQSA-N 1 0 360.357 2.846 20 5 FFBDRO Cc1csc(C2([NH2+]C[C@H](O)COc3cccc([N+](=O)[O-])c3)CCC2)n1 ZINC000275180256 512066812 /nfs/dbraw/zinc/06/68/12/512066812.db2.gz NADHZBZQWLILMG-AWEZNQCLSA-N 1 0 363.439 2.768 20 5 FFBDRO CCNC(=O)COc1cccc(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000285308272 512072634 /nfs/dbraw/zinc/07/26/34/512072634.db2.gz SJQVWYREKZYQBJ-CYBMUJFWSA-N 1 0 372.425 2.543 20 5 FFBDRO O=C(c1cc(Cl)c[nH]1)N1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000367602322 512579767 /nfs/dbraw/zinc/57/97/67/512579767.db2.gz IOJVWDRPOXKJHW-UHFFFAOYSA-N 1 0 362.817 2.971 20 5 FFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCc2c1cnn2CCO ZINC000378162983 512620653 /nfs/dbraw/zinc/62/06/53/512620653.db2.gz BJPDEZKEUKFQOK-YOEHRIQHSA-N 1 0 358.442 2.772 20 5 FFBDRO CC(C)[C@H](NCCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C ZINC000411523027 512673114 /nfs/dbraw/zinc/67/31/14/512673114.db2.gz XPCCNDJFAGFCOG-INIZCTEOSA-N 1 0 365.430 2.879 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCC(n3cc(Cl)cn3)CC2)c1 ZINC000367870683 512699368 /nfs/dbraw/zinc/69/93/68/512699368.db2.gz NQQLLTDAIUUIGW-MRXNPFEDSA-N 1 0 350.806 2.815 20 5 FFBDRO C[C@@H]1CN(c2ccc(Cl)cc2[N+](=O)[O-])CC[C@H]1[NH+]1CCN(C)CC1 ZINC000374309527 512758227 /nfs/dbraw/zinc/75/82/27/512758227.db2.gz JQLZBCJNCFIRSO-UKRRQHHQSA-N 1 0 352.866 2.710 20 5 FFBDRO C[N@@H+]1CCCC12CCN(C(=O)c1ccc(NC3CC3)c([N+](=O)[O-])c1)CC2 ZINC000378510390 512798711 /nfs/dbraw/zinc/79/87/11/512798711.db2.gz FTAQYMLCCHEOLZ-UHFFFAOYSA-N 1 0 358.442 2.870 20 5 FFBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@@H](O)Cc3cccc(Cl)c3)CC2)n1 ZINC000376509044 512849614 /nfs/dbraw/zinc/84/96/14/512849614.db2.gz ZCXFKWZQCWYODT-INIZCTEOSA-N 1 0 364.833 2.685 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CCC3(C2)CC[NH2+]CC3)cc1SC ZINC000374510606 512865541 /nfs/dbraw/zinc/86/55/41/512865541.db2.gz VPRCMVMIIGHHFI-UHFFFAOYSA-N 1 0 365.455 2.541 20 5 FFBDRO CCOc1cc(C[N@H+](C)C(C)(C)CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000412096103 512959753 /nfs/dbraw/zinc/95/97/53/512959753.db2.gz MMOQFQJJCZLJPF-UHFFFAOYSA-N 1 0 351.447 2.536 20 5 FFBDRO C[C@H](NC(=O)c1c(N)cccc1[N+](=O)[O-])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000374797698 513009396 /nfs/dbraw/zinc/00/93/96/513009396.db2.gz FUSIWKIWWUYVAW-HOCLYGCPSA-N 1 0 368.437 2.817 20 5 FFBDRO CCOc1cc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)ccc1[N+](=O)[O-] ZINC000372810110 513053894 /nfs/dbraw/zinc/05/38/94/513053894.db2.gz NIZGUZCUQBUEIL-SJLPKXTDSA-N 1 0 374.441 2.815 20 5 FFBDRO CC[NH2+]Cc1cccc(NC(=O)[C@H](CC)Nc2c([N+](=O)[O-])c(C)nn2C)c1 ZINC000428575568 513132826 /nfs/dbraw/zinc/13/28/26/513132826.db2.gz PSNNBLCCDGSXJI-HNNXBMFYSA-N 1 0 374.445 2.575 20 5 FFBDRO CO[C@@H]1C[C@@H]([NH2+][C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1(C)C ZINC000439625662 513153380 /nfs/dbraw/zinc/15/33/80/513153380.db2.gz SFSJMYQFPPUVRU-CUOATXAZSA-N 1 0 355.822 2.978 20 5 FFBDRO Cc1ccc(NCCCNC(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000417716691 513177707 /nfs/dbraw/zinc/17/77/07/513177707.db2.gz LSTAZAIIGLNQTP-LSDHHAIUSA-N 1 0 363.462 2.522 20 5 FFBDRO Cc1ccc(NCCCNC(=O)N(C)CC[C@H]([NH3+])C(C)C)c([N+](=O)[O-])c1 ZINC000417718558 513178718 /nfs/dbraw/zinc/17/87/18/513178718.db2.gz OLDZHEMPWAJOIZ-HNNXBMFYSA-N 1 0 365.478 2.720 20 5 FFBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000417730500 513184354 /nfs/dbraw/zinc/18/43/54/513184354.db2.gz QXXSVFQNQPOTKJ-BRWVUGGUSA-N 1 0 360.458 2.605 20 5 FFBDRO COC(=O)[C@]1(c2ccccc2)CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000428802417 513195905 /nfs/dbraw/zinc/19/59/05/513195905.db2.gz JJVSLDQKQIBDKN-HXUWFJFHSA-N 1 0 370.405 2.790 20 5 FFBDRO COC(=O)[C@]1(c2ccccc2)CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000428811578 513197976 /nfs/dbraw/zinc/19/79/76/513197976.db2.gz JOUFLYILCDWNMP-HXUWFJFHSA-N 1 0 370.405 2.790 20 5 FFBDRO COC(=O)[C@@]1(c2ccccc2)CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000428820952 513201412 /nfs/dbraw/zinc/20/14/12/513201412.db2.gz VVDNTLSKZZOEHF-FQEVSTJZSA-N 1 0 370.405 2.920 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC000439888178 513203974 /nfs/dbraw/zinc/20/39/74/513203974.db2.gz NBDQLZCZLAPOSL-CHWSQXEVSA-N 1 0 350.419 2.940 20 5 FFBDRO C[N@H+](CCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)Cc1ccccc1 ZINC000450569718 513254820 /nfs/dbraw/zinc/25/48/20/513254820.db2.gz OKIHSCKEXFDHCU-QGZVFWFLSA-N 1 0 355.442 2.608 20 5 FFBDRO C[NH+](C)CC1(CNC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CCCC1 ZINC000450601121 513269173 /nfs/dbraw/zinc/26/91/73/513269173.db2.gz AHMVEIOPUMDXIT-UHFFFAOYSA-N 1 0 371.441 2.632 20 5 FFBDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)cc2C)C1 ZINC000421497266 513285558 /nfs/dbraw/zinc/28/55/58/513285558.db2.gz HBNKCVVIPKZUIL-MRXNPFEDSA-N 1 0 363.458 2.785 20 5 FFBDRO COCCC[NH+]1CCC(Nc2cc(C)c([N+](=O)[O-])cc2C(=O)OC)CC1 ZINC000429214511 513307261 /nfs/dbraw/zinc/30/72/61/513307261.db2.gz HBDKOLPEGOPKEL-UHFFFAOYSA-N 1 0 365.430 2.603 20 5 FFBDRO CCCN(C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000417983909 513317799 /nfs/dbraw/zinc/31/77/99/513317799.db2.gz FSBJZOPGDCHSKY-UHFFFAOYSA-N 1 0 368.865 2.964 20 5 FFBDRO C[C@@H](c1csnn1)N1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000450733898 513318582 /nfs/dbraw/zinc/31/85/82/513318582.db2.gz AVBGYLOQBBFJAQ-NSHDSACASA-N 1 0 373.442 2.596 20 5 FFBDRO CC(C)([NH2+][C@@H]1CCCN(CC(F)(F)F)C1=O)c1ccccc1[N+](=O)[O-] ZINC000429257963 513319072 /nfs/dbraw/zinc/31/90/72/513319072.db2.gz SZYSNHPITHCCQN-GFCCVEGCSA-N 1 0 359.348 2.973 20 5 FFBDRO COc1cc(C(=O)N[C@H](C)C[NH+]2CCCCCC2)c([N+](=O)[O-])cc1F ZINC000450749245 513324265 /nfs/dbraw/zinc/32/42/65/513324265.db2.gz YOWWGXCINQACOA-GFCCVEGCSA-N 1 0 353.394 2.737 20 5 FFBDRO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000434445804 513324888 /nfs/dbraw/zinc/32/48/88/513324888.db2.gz QELGHFFAGWEHSW-INIZCTEOSA-N 1 0 358.442 2.916 20 5 FFBDRO Cc1c(NC(=O)NC[C@@H]2CCC[NH2+]2)cc(Br)cc1[N+](=O)[O-] ZINC000415647210 513360938 /nfs/dbraw/zinc/36/09/38/513360938.db2.gz AGEMYTWUFPZTDL-JTQLQIEISA-N 1 0 357.208 2.539 20 5 FFBDRO Cc1cc(N[C@@H]2CCO[C@H](c3ccnn3C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000450844733 513364888 /nfs/dbraw/zinc/36/48/88/513364888.db2.gz QAHJASQXPMQDNJ-YJYMSZOUSA-N 1 0 367.409 2.939 20 5 FFBDRO CN(C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C1CC[NH2+]CC1 ZINC000418088649 513367948 /nfs/dbraw/zinc/36/79/48/513367948.db2.gz KRXGIGXNPXQSOH-UHFFFAOYSA-N 1 0 360.336 2.507 20 5 FFBDRO Cc1c(NC(=O)NC[C@H]2CCC[NH2+]C2)cc(Br)cc1[N+](=O)[O-] ZINC000415666992 513369927 /nfs/dbraw/zinc/36/99/27/513369927.db2.gz XOTXNSZLYFQHNR-JTQLQIEISA-N 1 0 371.235 2.787 20 5 FFBDRO C[C@@H]1CN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H](C)C[N@@H+]1CCO ZINC000418107569 513374988 /nfs/dbraw/zinc/37/49/88/513374988.db2.gz FBFUFFIGPUELSM-CABCVRRESA-N 1 0 359.426 2.742 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000450866131 513375162 /nfs/dbraw/zinc/37/51/62/513375162.db2.gz SXCOYTBRKHTASU-ZTFGCOKTSA-N 1 0 359.426 2.779 20 5 FFBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000421710622 513382723 /nfs/dbraw/zinc/38/27/23/513382723.db2.gz LMVCZJSKUSQYQD-LBPRGKRZSA-N 1 0 357.863 2.893 20 5 FFBDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000415701723 513388469 /nfs/dbraw/zinc/38/84/69/513388469.db2.gz OLLAEMYJMLCPIO-PSASIEDQSA-N 1 0 357.208 2.606 20 5 FFBDRO CN(c1ccccc1)c1ccc(C[NH2+][C@]2(CCO)CCOC2)cc1[N+](=O)[O-] ZINC000447068768 513390619 /nfs/dbraw/zinc/39/06/19/513390619.db2.gz PTHRBNWJNDJLCY-HXUWFJFHSA-N 1 0 371.437 2.994 20 5 FFBDRO [NH3+]C[C@H](NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)C1CCCC1 ZINC000415708152 513392572 /nfs/dbraw/zinc/39/25/72/513392572.db2.gz XBLQXIPFUHCQSZ-ZDUSSCGKSA-N 1 0 371.235 2.996 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)NC3(C)CC[NH2+]CC3)cc2[N+](=O)[O-])C1 ZINC000434689945 513393326 /nfs/dbraw/zinc/39/33/26/513393326.db2.gz DJKSCJQKBYIODF-CQSZACIVSA-N 1 0 360.458 2.703 20 5 FFBDRO COC1CC[NH+](C(C)(C)CNC(=O)c2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000421768007 513416324 /nfs/dbraw/zinc/41/63/24/513416324.db2.gz MOPFHEBFOLTCNV-UHFFFAOYSA-N 1 0 363.458 2.831 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000421787624 513427643 /nfs/dbraw/zinc/42/76/43/513427643.db2.gz QCPFEFNLGKJRHQ-HOTGVXAUSA-N 1 0 363.458 2.831 20 5 FFBDRO C[C@H](NC(=O)NC[C@H]1[NH2+]CCc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000418234651 513435717 /nfs/dbraw/zinc/43/57/17/513435717.db2.gz QJYHQDJOBPUFFB-SCLBCKFNSA-N 1 0 354.410 2.842 20 5 FFBDRO O=[N+]([O-])c1cnc(NCCC[NH+]2CCN(c3ccccc3)CC2)c(F)c1 ZINC000413088224 513436509 /nfs/dbraw/zinc/43/65/09/513436509.db2.gz FXCDKNHANPHHJD-UHFFFAOYSA-N 1 0 359.405 2.753 20 5 FFBDRO [NH3+]C1(CNC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)CCCCCC1 ZINC000418282551 513451498 /nfs/dbraw/zinc/45/14/98/513451498.db2.gz HKNICUBLSXNCAX-UHFFFAOYSA-N 1 0 362.430 2.551 20 5 FFBDRO CC(C)(CO)[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000429725980 513453210 /nfs/dbraw/zinc/45/32/10/513453210.db2.gz ZQUOKHNSQMIZIS-QFBILLFUSA-N 1 0 374.437 2.684 20 5 FFBDRO NC(=O)[C@@H](Cc1ccccc1)[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000447392404 513463922 /nfs/dbraw/zinc/46/39/22/513463922.db2.gz BHPRCZFGGQGQBT-OAHLLOKOSA-N 1 0 367.327 2.800 20 5 FFBDRO CCNC(=O)c1cccc(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000447529921 513498340 /nfs/dbraw/zinc/49/83/40/513498340.db2.gz NCHBWYJCHHJLFB-IAGOWNOFSA-N 1 0 371.441 2.815 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]Cc2cccc(-n3cncn3)c2)n1 ZINC000447541134 513502290 /nfs/dbraw/zinc/50/22/90/513502290.db2.gz LOONWPNDXSHWMC-IAGOWNOFSA-N 1 0 367.413 2.646 20 5 FFBDRO CCCC[C@H](C[NH3+])NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000418449925 513515013 /nfs/dbraw/zinc/51/50/13/513515013.db2.gz SMSBSEAFMNKJMZ-CQSZACIVSA-N 1 0 364.446 2.665 20 5 FFBDRO CC(=O)[C@@H](Cc1ccccc1)NC(=O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000451100939 513522520 /nfs/dbraw/zinc/52/25/20/513522520.db2.gz ZLEIBOYFLKUGBO-IFXJQAMLSA-N 1 0 369.421 2.562 20 5 FFBDRO [NH3+]CC[C@@H](NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)C(F)(F)F ZINC000416008965 513536149 /nfs/dbraw/zinc/53/61/49/513536149.db2.gz OHJNFYZZFKHXPC-CYBMUJFWSA-N 1 0 360.336 2.549 20 5 FFBDRO O=C(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000418655689 513596113 /nfs/dbraw/zinc/59/61/13/513596113.db2.gz CYILKJXDFPOWJV-ZWKOTPCHSA-N 1 0 358.442 2.657 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])[nH]1)N(Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435555457 513616413 /nfs/dbraw/zinc/61/64/13/513616413.db2.gz GIDQPKMGJAFARN-AWEZNQCLSA-N 1 0 360.439 2.769 20 5 FFBDRO CN(c1ccccc1)c1ccc(C[NH2+][C@@H](CO)[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000447965159 513640547 /nfs/dbraw/zinc/64/05/47/513640547.db2.gz HTHQGGZDVRKTIV-FXAWDEMLSA-N 1 0 371.437 2.992 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000447981090 513645896 /nfs/dbraw/zinc/64/58/96/513645896.db2.gz XWYXTDPTVKMKRP-MRXNPFEDSA-N 1 0 364.446 2.523 20 5 FFBDRO Cn1ccnc1C(=O)c1ccc(NCC[C@@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000413437359 513656145 /nfs/dbraw/zinc/65/61/45/513656145.db2.gz KFVRMMCHHNMIED-AWEZNQCLSA-N 1 0 371.441 2.703 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000451342293 513687796 /nfs/dbraw/zinc/68/77/96/513687796.db2.gz MKJQLUNJDGLUNP-CGTJXYLNSA-N 1 0 361.442 2.857 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H](c2ccc(F)c(Cl)c2)C2CC2)c1 ZINC000451354558 513698449 /nfs/dbraw/zinc/69/84/49/513698449.db2.gz NMBQOSZZYUSVNT-CZUORRHYSA-N 1 0 368.796 2.686 20 5 FFBDRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000419005206 513714629 /nfs/dbraw/zinc/71/46/29/513714629.db2.gz RSRXEUPNVUIGBN-QWHCGFSZSA-N 1 0 362.455 2.610 20 5 FFBDRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000419005214 513714737 /nfs/dbraw/zinc/71/47/37/513714737.db2.gz RSRXEUPNVUIGBN-STQMWFEESA-N 1 0 362.455 2.610 20 5 FFBDRO C[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])n2C)CC[N@@H+]1Cc1ccccc1 ZINC000430662863 513714948 /nfs/dbraw/zinc/71/49/48/513714948.db2.gz KSFDTVUAOZOSFK-HOCLYGCPSA-N 1 0 356.426 2.716 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CC[NH2+]Cc2ccccc21 ZINC000430919479 513780921 /nfs/dbraw/zinc/78/09/21/513780921.db2.gz QQFWJWWEIXTIGD-CYBMUJFWSA-N 1 0 370.409 2.540 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCSC[C@@H]2C2CCC2)c1 ZINC000419363170 513789152 /nfs/dbraw/zinc/78/91/52/513789152.db2.gz OPPSIOBOAPLGPR-NVXWUHKLSA-N 1 0 352.456 2.552 20 5 FFBDRO CO[C@@H]1[C@@H](C)[C@H]([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1(C)C ZINC000451504425 513794608 /nfs/dbraw/zinc/79/46/08/513794608.db2.gz SELQYTWTOHZKBM-ULKVUYOBSA-N 1 0 355.822 2.836 20 5 FFBDRO O=[N+]([O-])c1ccc(CC[N@H+]2C[C@@H]3[C@H](C2)OCCN3Cc2ccccc2)cc1 ZINC000436255104 513808088 /nfs/dbraw/zinc/80/80/88/513808088.db2.gz WXMRYBDXKNCPHN-RTWAWAEBSA-N 1 0 367.449 2.723 20 5 FFBDRO CC(C)(C)OC(=O)[C@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000426193913 513867915 /nfs/dbraw/zinc/86/79/15/513867915.db2.gz KTXVNCIJQLJHBU-ZDUSSCGKSA-N 1 0 363.414 2.587 20 5 FFBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H]([C@@H](CO)C2CC2)C2CC2)cccc1[N+](=O)[O-] ZINC000451616638 513868156 /nfs/dbraw/zinc/86/81/56/513868156.db2.gz WBSBGKITOAFBFK-XLWVJDPXSA-N 1 0 361.442 2.617 20 5 FFBDRO COc1cc(C[N@H+](C)[C@@H]2CCCC[C@H]2O)c([N+](=O)[O-])cc1OC(F)F ZINC000426202919 513871084 /nfs/dbraw/zinc/87/10/84/513871084.db2.gz HZOIYLCXIKTSET-DGCLKSJQSA-N 1 0 360.357 2.940 20 5 FFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1c2ccccc2C[C@H]1C[NH3+] ZINC000422627790 513880508 /nfs/dbraw/zinc/88/05/08/513880508.db2.gz QLPXEBQLFGSFSB-WFASDCNBSA-N 1 0 357.435 2.992 20 5 FFBDRO COc1cc(C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000448776250 513893486 /nfs/dbraw/zinc/89/34/86/513893486.db2.gz FJYYAWPFWIKJLF-GFCCVEGCSA-N 1 0 367.421 2.983 20 5 FFBDRO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@@H]3C[C@@H](O)CC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000451690947 513911845 /nfs/dbraw/zinc/91/18/45/513911845.db2.gz ARPFUZJBYWCGBP-FZKCQIBNSA-N 1 0 361.442 2.713 20 5 FFBDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000422840815 513948632 /nfs/dbraw/zinc/94/86/32/513948632.db2.gz CCWGFHILNVBVBD-GHMZBOCLSA-N 1 0 357.863 2.926 20 5 FFBDRO COc1cc(C(=O)NCCC[NH2+]C2CCCCC2)c([N+](=O)[O-])cc1F ZINC000419892236 513960636 /nfs/dbraw/zinc/96/06/36/513960636.db2.gz KPMDEZVCOBHEQI-UHFFFAOYSA-N 1 0 353.394 2.785 20 5 FFBDRO Cc1c(NC(=O)CC[N@@H+](C)[C@H](CO)CC(C)(C)C)cccc1[N+](=O)[O-] ZINC000451783589 513978479 /nfs/dbraw/zinc/97/84/79/513978479.db2.gz SBNZDSWSMCFBPC-AWEZNQCLSA-N 1 0 351.447 2.961 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@@H](CO)c2ccc(F)cc2)n1 ZINC000414295073 514038318 /nfs/dbraw/zinc/03/83/18/514038318.db2.gz QPVRIWRQBGMGJW-BHYGNILZSA-N 1 0 362.405 2.780 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](O)CN1CCc2ccccc2C1 ZINC000449071326 514060528 /nfs/dbraw/zinc/06/05/28/514060528.db2.gz AZEKDWPYHWUQOF-JXFKEZNVSA-N 1 0 369.465 2.535 20 5 FFBDRO CC1(C)CN(c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])CC[NH2+]1 ZINC000420264300 514064152 /nfs/dbraw/zinc/06/41/52/514064152.db2.gz AQAODBUEXQFRRA-UHFFFAOYSA-N 1 0 354.279 2.832 20 5 FFBDRO Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CC[C@@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000420270230 514067210 /nfs/dbraw/zinc/06/72/10/514067210.db2.gz JHUODUAMBWLIRB-CRAIPNDOSA-N 1 0 354.410 2.616 20 5 FFBDRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000420291661 514074351 /nfs/dbraw/zinc/07/43/51/514074351.db2.gz XOHBSTJYGDKBCH-ABAIWWIYSA-N 1 0 374.363 2.731 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](O)COc1ccc(F)c(F)c1 ZINC000449132351 514085491 /nfs/dbraw/zinc/08/54/91/514085491.db2.gz UGAFBGUCDFWOMG-JSGCOSHPSA-N 1 0 366.364 2.834 20 5 FFBDRO [NH3+][C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H]1c1cccc(F)c1 ZINC000420382007 514118158 /nfs/dbraw/zinc/11/81/58/514118158.db2.gz DEHMOIKNBJZGQS-LSDHHAIUSA-N 1 0 356.357 2.802 20 5 FFBDRO CC[N@H+](CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1)CCC(F)(F)F ZINC000427209975 514151379 /nfs/dbraw/zinc/15/13/79/514151379.db2.gz AQBANWSJTWVRBV-UHFFFAOYSA-N 1 0 351.300 2.738 20 5 FFBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000423556921 514168720 /nfs/dbraw/zinc/16/87/20/514168720.db2.gz NBXIEFHIJMLZIS-OAHLLOKOSA-N 1 0 355.847 2.552 20 5 FFBDRO CCc1n[nH]c(C(=O)N[C@@H]2CCCC[C@@H]2C[NH+](CC)CC)c1[N+](=O)[O-] ZINC000444270340 514174284 /nfs/dbraw/zinc/17/42/84/514174284.db2.gz OPESSQIAVHZTEM-TZMCWYRMSA-N 1 0 351.451 2.511 20 5 FFBDRO NC(=O)c1cccc([N+](=O)[O-])c1NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000420582336 514191290 /nfs/dbraw/zinc/19/12/90/514191290.db2.gz IUCHHPZDPFAFDM-KRWDZBQOSA-N 1 0 354.410 2.943 20 5 FFBDRO NC(=O)c1cccc([N+](=O)[O-])c1NCCC[N@@H+]1CCc2ccccc2C1 ZINC000420582094 514192301 /nfs/dbraw/zinc/19/23/01/514192301.db2.gz GYHHXEIZKFEXOZ-UHFFFAOYSA-N 1 0 354.410 2.554 20 5 FFBDRO COC[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000452103054 514193531 /nfs/dbraw/zinc/19/35/31/514193531.db2.gz LNQZBUWIXQCGLJ-AWEZNQCLSA-N 1 0 365.430 2.681 20 5 FFBDRO COC[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000452106475 514195284 /nfs/dbraw/zinc/19/52/84/514195284.db2.gz QQXQKQVOUZDKGK-KBPBESRZSA-N 1 0 365.430 2.679 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H](Cc2ccccc2)c2ccccc2)c1 ZINC000437639233 514199869 /nfs/dbraw/zinc/19/98/69/514199869.db2.gz ILAYRHWAKCEWOE-WOJBJXKFSA-N 1 0 366.421 2.726 20 5 FFBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NCCC[C@H]1CCC[NH2+]1 ZINC000423709213 514208361 /nfs/dbraw/zinc/20/83/61/514208361.db2.gz WCAKVFBPFQQZLR-GFCCVEGCSA-N 1 0 357.863 2.989 20 5 FFBDRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000432519061 514216447 /nfs/dbraw/zinc/21/64/47/514216447.db2.gz MSELYPGXGGMWEW-YOEHRIQHSA-N 1 0 368.437 2.935 20 5 FFBDRO C[NH+](C)CC1(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCCCC1 ZINC000427435291 514217696 /nfs/dbraw/zinc/21/76/96/514217696.db2.gz NIWCPFFATFRHFX-UHFFFAOYSA-N 1 0 359.430 2.599 20 5 FFBDRO COc1cc(C[NH2+][C@@H]2CCO[C@@H](c3ccncc3)C2)c([N+](=O)[O-])cc1O ZINC000449543597 514248802 /nfs/dbraw/zinc/24/88/02/514248802.db2.gz TXBPGSCOIYIEIU-RHSMWYFYSA-N 1 0 359.382 2.714 20 5 FFBDRO CCOc1cc(NC(=O)C23CCC[NH+]2CCC3)c([N+](=O)[O-])cc1OCC ZINC000414738951 514265401 /nfs/dbraw/zinc/26/54/01/514265401.db2.gz ILASOOFBCNLCLP-UHFFFAOYSA-N 1 0 363.414 2.959 20 5 FFBDRO CCOc1cc(NC(=O)N[C@@H]2CC[NH2+]C[C@H]2C)c([N+](=O)[O-])cc1OCC ZINC000414754160 514274587 /nfs/dbraw/zinc/27/45/87/514274587.db2.gz FTGJGYGSJPDWRH-VXGBXAGGSA-N 1 0 366.418 2.512 20 5 FFBDRO [NH3+][C@H]1CCC[C@H](CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000449640865 514276615 /nfs/dbraw/zinc/27/66/15/514276615.db2.gz SYQTVJGGMVKDSE-HOTGVXAUSA-N 1 0 363.461 2.788 20 5 FFBDRO COC(=O)c1cc([C@@H](C)[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)oc1C ZINC000432778556 514282397 /nfs/dbraw/zinc/28/23/97/514282397.db2.gz DXXKEQGTZTXPPL-DGCLKSJQSA-N 1 0 374.397 2.925 20 5 FFBDRO CCCOc1cc(NC(=O)N(C)[C@H](C)C[NH3+])c([N+](=O)[O-])cc1OCCC ZINC000414788334 514293267 /nfs/dbraw/zinc/29/32/67/514293267.db2.gz NMOMCZKDPNMWSA-GFCCVEGCSA-N 1 0 368.434 2.983 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N[C@H]3CC[C@H](C[NH3+])C3)cc2[N+](=O)[O-])CC1 ZINC000449706530 514314679 /nfs/dbraw/zinc/31/46/79/514314679.db2.gz AYSDMTROEMXTCH-HOCLYGCPSA-N 1 0 360.458 2.688 20 5 FFBDRO C[C@@H]1CN(C(=O)c2cccc3c2[nH]c2c(F)cccc2c3=O)C[C@@]1(C)C[NH3+] ZINC000423973975 514316920 /nfs/dbraw/zinc/31/69/20/514316920.db2.gz DWHCHRWNPMOMLC-XUSGNXJCSA-N 1 0 367.424 2.877 20 5 FFBDRO O=C(Nc1nc(C2CC[NH2+]CC2)cs1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000423980136 514319476 /nfs/dbraw/zinc/31/94/76/514319476.db2.gz RFBFCPAKQDPCFF-UHFFFAOYSA-N 1 0 350.375 2.910 20 5 FFBDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000449721917 514322680 /nfs/dbraw/zinc/32/26/80/514322680.db2.gz UVGAYQCWRMEKRY-ZYHUDNBSSA-N 1 0 374.363 2.659 20 5 FFBDRO C[C@H]1CCN(C(=O)c2cccc3c2[nH]c2c(F)cccc2c3=O)C[C@@H]1C[NH3+] ZINC000424001209 514332063 /nfs/dbraw/zinc/33/20/63/514332063.db2.gz OWJPOCWCRCWZEE-STQMWFEESA-N 1 0 367.424 2.877 20 5 FFBDRO Cc1ccc(Sc2ccc(CN(CC[NH3+])CCO)cc2[N+](=O)[O-])cc1 ZINC000414918859 514357009 /nfs/dbraw/zinc/35/70/09/514357009.db2.gz ZONQHYDIEBPWJS-UHFFFAOYSA-N 1 0 361.467 2.807 20 5 FFBDRO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414941006 514366625 /nfs/dbraw/zinc/36/66/25/514366625.db2.gz CHSSODZUYSGKEQ-ZJUUUORDSA-N 1 0 356.329 2.554 20 5 FFBDRO COCCO[C@@H]1COCC[C@@H]1[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433062368 514368126 /nfs/dbraw/zinc/36/81/26/514368126.db2.gz OHZXBHTXGDBUMO-OKZBNKHCSA-N 1 0 364.442 2.727 20 5 FFBDRO COc1ccc(OCC[N@H+](C)C[C@@H](O)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000433073326 514371556 /nfs/dbraw/zinc/37/15/56/514371556.db2.gz FPXFFHUFYWYMKA-INIZCTEOSA-N 1 0 360.410 2.518 20 5 FFBDRO C[C@H](NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12)C(C)(C)C[NH+](C)C ZINC000428017136 514375088 /nfs/dbraw/zinc/37/50/88/514375088.db2.gz LFWNVSUBXXKNHQ-ZDUSSCGKSA-N 1 0 374.441 2.614 20 5 FFBDRO COc1cc(C[N@@H+]2C[C@H](C)C[C@H](CO)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000420949383 514397510 /nfs/dbraw/zinc/39/75/10/514397510.db2.gz VLRCYHXPXMLUKI-NEPJUHHUSA-N 1 0 374.384 2.698 20 5 FFBDRO CC[C@@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C[C@H](CC)O1 ZINC000420960568 514403312 /nfs/dbraw/zinc/40/33/12/514403312.db2.gz RNXBTMAZWMOXNH-GASCZTMLSA-N 1 0 365.430 2.821 20 5 FFBDRO C[C@@H]1OCC[C@@]1(O)C[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000433174815 514406160 /nfs/dbraw/zinc/40/61/60/514406160.db2.gz MBEWFRKSIHKZEV-MGPUTAFESA-N 1 0 371.437 2.992 20 5 FFBDRO COc1ccc(-c2ccc(C[NH2+]C[C@@H]3CCCC(=O)N3)o2)c([N+](=O)[O-])c1 ZINC000433194451 514416648 /nfs/dbraw/zinc/41/66/48/514416648.db2.gz NGFWVIQVOYJDKN-LBPRGKRZSA-N 1 0 359.382 2.622 20 5 FFBDRO C[C@@H]1CC2(CN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl)CC[NH2+]CC2 ZINC000424222186 514421566 /nfs/dbraw/zinc/42/15/66/514421566.db2.gz DABWXVUMVIHIQF-GFCCVEGCSA-N 1 0 351.834 2.781 20 5 FFBDRO CC[N@@H+](Cc1ccc2ccccc2c1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000438834952 514451383 /nfs/dbraw/zinc/45/13/83/514451383.db2.gz LHNPKALKALQQMH-IBGZPJMESA-N 1 0 354.410 2.828 20 5 FFBDRO Cn1cnc([N+](=O)[O-])c1-c1noc([C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000445574999 514495213 /nfs/dbraw/zinc/49/52/13/514495213.db2.gz NZMYZXSUBKTQDT-CQSZACIVSA-N 1 0 368.397 2.758 20 5 FFBDRO CC[NH+](CC)CC[C@H](CO)Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000439136140 514499476 /nfs/dbraw/zinc/49/94/76/514499476.db2.gz RLLHZAKCLHGBFM-GFCCVEGCSA-N 1 0 360.252 2.862 20 5 FFBDRO C[NH+](C)C1(CNC(=O)Nc2cccc([N+](=O)[O-])c2)Cc2ccccc2C1 ZINC000466011819 514537863 /nfs/dbraw/zinc/53/78/63/514537863.db2.gz QNVXBZBHWHFGCS-UHFFFAOYSA-N 1 0 354.410 2.816 20 5 FFBDRO CCOC(=O)[C@]1(COC)CCC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000439474916 514560886 /nfs/dbraw/zinc/56/08/86/514560886.db2.gz XVLOCNLZUAEBPU-RDTXWAMCSA-N 1 0 350.415 2.948 20 5 FFBDRO COc1ccc(-c2ccc(C[NH2+]C3(CC(N)=O)CCC3)o2)c([N+](=O)[O-])c1 ZINC000475111146 514561517 /nfs/dbraw/zinc/56/15/17/514561517.db2.gz UXYHXLILVHBPKZ-UHFFFAOYSA-N 1 0 359.382 2.751 20 5 FFBDRO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000466222074 514582001 /nfs/dbraw/zinc/58/20/01/514582001.db2.gz GBOPXCMKXKDAAD-GJZGRUSLSA-N 1 0 352.822 2.674 20 5 FFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000453345774 514603997 /nfs/dbraw/zinc/60/39/97/514603997.db2.gz OQHPJXRDEVQXQE-HRCADAONSA-N 1 0 365.499 2.918 20 5 FFBDRO COC(=O)CC1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000497726494 514609708 /nfs/dbraw/zinc/60/97/08/514609708.db2.gz BYZLBFXOWNGJAH-UHFFFAOYSA-N 1 0 363.414 2.507 20 5 FFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)C[C@@H]1C[C@H](F)CN1Cc1ncccn1 ZINC000470808051 514619778 /nfs/dbraw/zinc/61/97/78/514619778.db2.gz KWMKFCIGLYPKMN-PMPSAXMXSA-N 1 0 373.432 2.990 20 5 FFBDRO CNc1nc(C(=O)Nc2cccc(OCCC[NH+](C)C)c2)ccc1[N+](=O)[O-] ZINC000455644150 514655140 /nfs/dbraw/zinc/65/51/40/514655140.db2.gz ZVZVQFPFCXBOAL-UHFFFAOYSA-N 1 0 373.413 2.614 20 5 FFBDRO COC(=O)COc1ccc(C[N@H+](C)Cc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000475568976 514718564 /nfs/dbraw/zinc/71/85/64/514718564.db2.gz WJYPLKXBNBQSTR-UHFFFAOYSA-N 1 0 362.357 2.918 20 5 FFBDRO COc1cc(C(=O)N[C@@H](C)C[NH+]2CCCCCC2)cc([N+](=O)[O-])c1OC ZINC000479800381 514728740 /nfs/dbraw/zinc/72/87/40/514728740.db2.gz CYUYXDOAISBFLT-ZDUSSCGKSA-N 1 0 365.430 2.606 20 5 FFBDRO CCC[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@H](C)CC(=O)Nc1ccccc1 ZINC000502893770 514833042 /nfs/dbraw/zinc/83/30/42/514833042.db2.gz IVECDHZGRCFBPK-OAHLLOKOSA-N 1 0 359.430 2.921 20 5 FFBDRO Cn1c(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2)ccc1[N+](=O)[O-] ZINC000489429053 514844153 /nfs/dbraw/zinc/84/41/53/514844153.db2.gz IKSDJJDCFQUCTL-UHFFFAOYSA-N 1 0 360.439 2.734 20 5 FFBDRO C[C@H](CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)[N@@H+]1CCCC[C@H]1C ZINC000498472637 514918890 /nfs/dbraw/zinc/91/88/90/514918890.db2.gz LCVDQMPWFRYJEE-HUUCEWRRSA-N 1 0 358.442 2.929 20 5 FFBDRO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000467217807 514942543 /nfs/dbraw/zinc/94/25/43/514942543.db2.gz OOCBKCMOQGXVQZ-OLZOCXBDSA-N 1 0 352.822 2.674 20 5 FFBDRO Cc1cccc(C[C@@H](CO)[NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000467357273 514987000 /nfs/dbraw/zinc/98/70/00/514987000.db2.gz WQJQZAVWTGUJFO-QAPCUYQASA-N 1 0 371.437 2.814 20 5 FFBDRO Cc1ccccc1C[C@@H](CO)[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000467378989 514991064 /nfs/dbraw/zinc/99/10/64/514991064.db2.gz VLLRNPCSEFKAAI-QAPCUYQASA-N 1 0 371.437 2.814 20 5 FFBDRO O=C(C[NH2+][C@@H]1CCC[C@H]1OC(F)F)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000503401650 515020989 /nfs/dbraw/zinc/02/09/89/515020989.db2.gz QWAJGFCPRQDUJY-VXGBXAGGSA-N 1 0 363.748 2.937 20 5 FFBDRO Cn1nc([N+](=O)[O-])cc1C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000476397052 515032882 /nfs/dbraw/zinc/03/28/82/515032882.db2.gz OJGLUZJJNINROT-UHFFFAOYSA-N 1 0 357.414 2.609 20 5 FFBDRO Cc1c(NC(=O)[C@@H](C)[NH2+][C@@H]2CCC[C@H]2OC(F)F)cccc1[N+](=O)[O-] ZINC000503515889 515064069 /nfs/dbraw/zinc/06/40/69/515064069.db2.gz ISAALOSVLUMTBX-MPKXVKKWSA-N 1 0 357.357 2.980 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1CCC[C@H]1OC(F)F ZINC000503524306 515067905 /nfs/dbraw/zinc/06/79/05/515067905.db2.gz WFCOZHJCLRQUJU-DGCLKSJQSA-N 1 0 373.356 2.682 20 5 FFBDRO C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)CC[N@@H+]1C ZINC000462480374 515075996 /nfs/dbraw/zinc/07/59/96/515075996.db2.gz LUIANQHGYDWVFD-HOCLYGCPSA-N 1 0 356.426 2.885 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCCC[NH+](C(C)C)C(C)C)cc1C ZINC000467779457 515113837 /nfs/dbraw/zinc/11/38/37/515113837.db2.gz AJDHTRGYQHDCIO-UHFFFAOYSA-N 1 0 371.503 2.999 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H](C)C[NH+]2CCCCC2)c1C ZINC000480930322 515139943 /nfs/dbraw/zinc/13/99/43/515139943.db2.gz RXMLICLSQVCLAU-CYBMUJFWSA-N 1 0 369.487 2.612 20 5 FFBDRO CC1CC[NH+](CCc2cccc(NC(=O)c3cc([N+](=O)[O-])nn3C)c2)CC1 ZINC000476662491 515146789 /nfs/dbraw/zinc/14/67/89/515146789.db2.gz NUPTYMMGBMXXKJ-UHFFFAOYSA-N 1 0 371.441 2.855 20 5 FFBDRO Cc1ccc(C)c(S(=O)(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000481008996 515170518 /nfs/dbraw/zinc/17/05/18/515170518.db2.gz FRIGKNOAGPTEJA-DOMZBBRYSA-N 1 0 369.487 2.610 20 5 FFBDRO Cc1ccc(C)c(S(=O)(=O)NC[C@H](C)[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000481022968 515176498 /nfs/dbraw/zinc/17/64/98/515176498.db2.gz KYAYAYPKALCAOR-HNNXBMFYSA-N 1 0 369.487 2.610 20 5 FFBDRO COc1c[nH+]ccc1N1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000481035615 515182238 /nfs/dbraw/zinc/18/22/38/515182238.db2.gz KEOJZBOPGSSPLH-UHFFFAOYSA-N 1 0 365.393 2.873 20 5 FFBDRO Cc1ccc(C)c(S(=O)(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000481039717 515183308 /nfs/dbraw/zinc/18/33/08/515183308.db2.gz OBDLGICHQJMMJN-CABCVRRESA-N 1 0 369.487 2.753 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])C[C@@H]1C ZINC000481057240 515190164 /nfs/dbraw/zinc/19/01/64/515190164.db2.gz KGXDYLUPCCJQCX-LSDHHAIUSA-N 1 0 369.487 2.705 20 5 FFBDRO CC[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H](COC)Cc1ccccc1 ZINC000472325698 515225563 /nfs/dbraw/zinc/22/55/63/515225563.db2.gz LFVDMJHCAFZGLY-SFHVURJKSA-N 1 0 371.437 2.773 20 5 FFBDRO C[N@H+]1C[C@H]2CN(c3ccc([N+](=O)[O-])c(OCc4ccccc4)n3)C[C@H]2C1 ZINC000485997865 515291201 /nfs/dbraw/zinc/29/12/01/515291201.db2.gz DIDQVOWDWSKSOD-IYBDPMFKSA-N 1 0 354.410 2.567 20 5 FFBDRO CNc1c(C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000462906914 515292647 /nfs/dbraw/zinc/29/26/47/515292647.db2.gz PAQRYKQWBJNSRW-MRXNPFEDSA-N 1 0 360.389 2.808 20 5 FFBDRO CC(C)[NH+](CCN(C)C(=O)NCCc1ccccc1[N+](=O)[O-])C(C)C ZINC000504420347 515302258 /nfs/dbraw/zinc/30/22/58/515302258.db2.gz WKVPLDSQWRBLEF-UHFFFAOYSA-N 1 0 350.463 2.898 20 5 FFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cccc(OCC(N)=O)c1 ZINC000468634864 515446069 /nfs/dbraw/zinc/44/60/69/515446069.db2.gz JFVXVHGSNOONRP-ZSOIEALJSA-N 1 0 355.394 2.652 20 5 FFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C1CCN(CCC(=O)N(C)C)CC1 ZINC000468639496 515448465 /nfs/dbraw/zinc/44/84/65/515448465.db2.gz RHTKURRVYHCVKV-DTQAZKPQSA-N 1 0 374.485 2.530 20 5 FFBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000468695378 515474763 /nfs/dbraw/zinc/47/47/63/515474763.db2.gz SFIGHURGNOPWPS-ZFWWWQNUSA-N 1 0 354.410 2.742 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000486432416 515481443 /nfs/dbraw/zinc/48/14/43/515481443.db2.gz YMPWEQWAMFSYPK-NWDGAFQWSA-N 1 0 355.385 2.747 20 5 FFBDRO C[C@@H]1CN(Cc2c(Cl)cccc2[N+](=O)[O-])CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000491978284 515488034 /nfs/dbraw/zinc/48/80/34/515488034.db2.gz JHLAQOUXOHNYKB-PBHICJAKSA-N 1 0 366.893 2.706 20 5 FFBDRO COCCN1CC[C@H]([NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000492146111 515506107 /nfs/dbraw/zinc/50/61/07/515506107.db2.gz YCINQAZKALPDKW-ICSRJNTNSA-N 1 0 355.438 2.995 20 5 FFBDRO CC[NH+](CC)CCNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000492194644 515513704 /nfs/dbraw/zinc/51/37/04/515513704.db2.gz SFBAMMSCHVHSHO-UHFFFAOYSA-N 1 0 362.352 2.755 20 5 FFBDRO CC(C)[C@@H]1CN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000486512979 515519279 /nfs/dbraw/zinc/51/92/79/515519279.db2.gz KUFIYNMNKGOOTF-SFHVURJKSA-N 1 0 362.474 2.899 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]C[C@@H](CO)[C@@H]2CCOC2)c2ccccc2)c1 ZINC000482004367 515543056 /nfs/dbraw/zinc/54/30/56/515543056.db2.gz WHOBXYVIRNJELQ-WSTZPKSXSA-N 1 0 356.422 2.919 20 5 FFBDRO CCOc1cc(C[N@H+](CCC(N)=O)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000492652971 515550855 /nfs/dbraw/zinc/55/08/55/515550855.db2.gz LJVDLFKEQOHOIU-UHFFFAOYSA-N 1 0 357.410 2.871 20 5 FFBDRO COc1cc(C[NH2+][C@H](CC(=O)N(C)C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000492760157 515561927 /nfs/dbraw/zinc/56/19/27/515561927.db2.gz YIODJTWQBQJDTL-MRXNPFEDSA-N 1 0 357.410 2.913 20 5 FFBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000500121232 515598485 /nfs/dbraw/zinc/59/84/85/515598485.db2.gz KVPOXMUTUFQLGJ-KGLIPLIRSA-N 1 0 371.441 2.550 20 5 FFBDRO CN(CC(=O)N1C[C@H]([NH+](C)C)Cc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000463743437 515598671 /nfs/dbraw/zinc/59/86/71/515598671.db2.gz DLBSXWRRYOPIDD-MRXNPFEDSA-N 1 0 368.437 2.551 20 5 FFBDRO C[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1N)[C@@H](c1ccccc1)[NH+](C)C ZINC000505604930 515607715 /nfs/dbraw/zinc/60/77/15/515607715.db2.gz GOJNJDBVDWWGMY-DIFFPNOSSA-N 1 0 360.389 2.737 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000493507335 515638806 /nfs/dbraw/zinc/63/88/06/515638806.db2.gz UQEMXWJKXGWXAU-SLEUVZQESA-N 1 0 367.833 2.568 20 5 FFBDRO COc1ccc(C[C@@](C)([NH3+])CNc2nc3ccccc3cc2[N+](=O)[O-])cc1 ZINC000473514752 515642050 /nfs/dbraw/zinc/64/20/50/515642050.db2.gz TVLAWSPFWWIABF-HXUWFJFHSA-N 1 0 366.421 2.946 20 5 FFBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000457116058 515661830 /nfs/dbraw/zinc/66/18/30/515661830.db2.gz LERVPYZZXYSYLH-JSGCOSHPSA-N 1 0 369.849 2.957 20 5 FFBDRO C[C@H](C[NH+]1CCCCCC1)NC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000482646201 515751382 /nfs/dbraw/zinc/75/13/82/515751382.db2.gz FSYJSAIJQVGMLE-OAHLLOKOSA-N 1 0 363.462 2.570 20 5 FFBDRO COC(=O)c1cnc(NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000478285647 515766653 /nfs/dbraw/zinc/76/66/53/515766653.db2.gz WKKVIKLDOVXNGK-BETUJISGSA-N 1 0 350.419 2.556 20 5 FFBDRO C[NH+](C)C[C@@H](NC(=O)NCCc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000500560503 515769418 /nfs/dbraw/zinc/76/94/18/515769418.db2.gz HOSXNRNOCWNIGT-GOSISDBHSA-N 1 0 374.416 2.879 20 5 FFBDRO O=C1C[C@@H](c2ccccc2)N(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCN1 ZINC000482699466 515774244 /nfs/dbraw/zinc/77/42/44/515774244.db2.gz NOROZTCIPFBMKX-KRWDZBQOSA-N 1 0 365.393 2.534 20 5 FFBDRO Cc1cc(NC(=O)CN(C)CCc2ccccc2[N+](=O)[O-])n(C(C)(C)C)n1 ZINC000511104827 515780813 /nfs/dbraw/zinc/78/08/13/515780813.db2.gz GKJMIQXEFJSIND-UHFFFAOYSA-N 1 0 373.457 2.968 20 5 FFBDRO Cc1ccsc1[C@H](CO)[NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000494648763 515910292 /nfs/dbraw/zinc/91/02/92/515910292.db2.gz PVFXWDRXSXMBGX-JSGCOSHPSA-N 1 0 363.439 2.923 20 5 FFBDRO C[C@H](CNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1)C[NH+]1CCCCC1 ZINC000511528808 515934376 /nfs/dbraw/zinc/93/43/76/515934376.db2.gz LPUYWXMAOAFPNF-MRXNPFEDSA-N 1 0 362.474 2.901 20 5 FFBDRO CCC1(Cc2ccccc2)CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000483116197 515935032 /nfs/dbraw/zinc/93/50/32/515935032.db2.gz GUBLFNXUOXUAQJ-IBGZPJMESA-N 1 0 372.469 2.887 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC[C@H](c3ccc(F)cc3)C2)c1 ZINC000483115961 515936380 /nfs/dbraw/zinc/93/63/80/515936380.db2.gz DMXIYHUAFHIBFI-MAUKXSAKSA-N 1 0 360.385 2.963 20 5 FFBDRO C[C@@H]1CCC[C@@](CNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)([NH+](C)C)C1 ZINC000487772482 515971111 /nfs/dbraw/zinc/97/11/11/515971111.db2.gz UQSRYBUUGOKOOP-KZULUSFZSA-N 1 0 363.414 2.564 20 5 FFBDRO CCCN(CC[NH+]1CCCCCC1)C(=O)c1[nH]nc(CC)c1[N+](=O)[O-] ZINC000494843888 515979626 /nfs/dbraw/zinc/97/96/26/515979626.db2.gz CDTDHMGOWVCYIQ-UHFFFAOYSA-N 1 0 351.451 2.609 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+]Cc2cc3ccccc3[nH]2)cc1[N+](=O)[O-] ZINC000474357843 516008967 /nfs/dbraw/zinc/00/89/67/516008967.db2.gz RDESPIRMGXVWFK-UHFFFAOYSA-N 1 0 369.377 2.918 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+]CC2Cc3ccccc3C2)cc1[N+](=O)[O-] ZINC000474360834 516010446 /nfs/dbraw/zinc/01/04/46/516010446.db2.gz HDPNSRLPULXRNP-UHFFFAOYSA-N 1 0 370.405 2.651 20 5 FFBDRO CC(C)[C@H]1OCCC[C@@H]1CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000488060515 516099754 /nfs/dbraw/zinc/09/97/54/516099754.db2.gz IMPBRFSOAQFODH-CRAIPNDOSA-N 1 0 372.425 2.962 20 5 FFBDRO CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000460284495 516101092 /nfs/dbraw/zinc/10/10/92/516101092.db2.gz QMMSQBNLMMLPPN-INIZCTEOSA-N 1 0 356.430 2.546 20 5 FFBDRO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000470114543 516125308 /nfs/dbraw/zinc/12/53/08/516125308.db2.gz LNIVVSDCMJLPSK-UHFFFAOYSA-N 1 0 373.388 2.915 20 5 FFBDRO CN(CC1([NH+](C)C)CCC1)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000474620745 516126569 /nfs/dbraw/zinc/12/65/69/516126569.db2.gz JATURHGCEHLMTL-UHFFFAOYSA-N 1 0 351.422 2.954 20 5 FFBDRO COc1cc(C[NH2+]C[C@@](C)(CO)Cc2ccccc2)c([N+](=O)[O-])cc1OC ZINC000483650903 516156442 /nfs/dbraw/zinc/15/64/42/516156442.db2.gz YORARYHXRSLSKO-FQEVSTJZSA-N 1 0 374.437 2.943 20 5 FFBDRO CC(C)[C@@H]1CCC[C@@H]([NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000474706882 516164787 /nfs/dbraw/zinc/16/47/87/516164787.db2.gz ILDRQNGZHDOSMS-HUUCEWRRSA-N 1 0 369.487 2.678 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000483701147 516178249 /nfs/dbraw/zinc/17/82/49/516178249.db2.gz LVYKUQAMVXBMSM-DZGCQCFKSA-N 1 0 364.446 2.618 20 5 FFBDRO COc1c(C(=O)NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000474777981 516191514 /nfs/dbraw/zinc/19/15/14/516191514.db2.gz YJOXUTMQZHEPFS-CQSZACIVSA-N 1 0 369.421 2.780 20 5 FFBDRO CNc1nc(C(=O)N(CC[NH+](C)C)Cc2cccc(C)c2)ccc1[N+](=O)[O-] ZINC000455420464 516192294 /nfs/dbraw/zinc/19/22/94/516192294.db2.gz ILGMDRXYJIIKSS-UHFFFAOYSA-N 1 0 371.441 2.544 20 5 FFBDRO CCC[NH+]1CCC(NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000483875406 516232544 /nfs/dbraw/zinc/23/25/44/516232544.db2.gz FKSMWHSLGNEWTE-UHFFFAOYSA-N 1 0 368.865 2.964 20 5 FFBDRO CC(C)[C@@H]1CN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000488509595 516246728 /nfs/dbraw/zinc/24/67/28/516246728.db2.gz ASZNVEBMPLQYEM-SFHVURJKSA-N 1 0 357.458 2.767 20 5 FFBDRO O=C(NCc1ccccc1C[NH+]1CCCCC1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000484074130 516292304 /nfs/dbraw/zinc/29/23/04/516292304.db2.gz WCAHBFBLBHMKBO-UHFFFAOYSA-N 1 0 370.409 2.611 20 5 FFBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000502185489 516316954 /nfs/dbraw/zinc/31/69/54/516316954.db2.gz HYTBDKGUEUUZFT-AWEZNQCLSA-N 1 0 354.838 2.922 20 5 FFBDRO COC(=O)c1cc(C)nc(N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000557639664 516353318 /nfs/dbraw/zinc/35/33/18/516353318.db2.gz SBFBJSLDKKPBOG-HZPDHXFCSA-N 1 0 370.409 2.942 20 5 FFBDRO COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000535466819 516366991 /nfs/dbraw/zinc/36/69/91/516366991.db2.gz ZZAZLGVHMLWNOO-KBXCAEBGSA-N 1 0 363.414 2.553 20 5 FFBDRO O=C1c2ccccc2C(=O)N1CCC[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000512875170 516396344 /nfs/dbraw/zinc/39/63/44/516396344.db2.gz ZURRLFFHIVWBQP-VMPITWQZSA-N 1 0 365.389 2.884 20 5 FFBDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000523280133 516421200 /nfs/dbraw/zinc/42/12/00/516421200.db2.gz HNEUSECOSRNRJT-MRXNPFEDSA-N 1 0 365.478 2.569 20 5 FFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](N1CCOCC1)C(F)(F)F ZINC000512972592 516429844 /nfs/dbraw/zinc/42/98/44/516429844.db2.gz UYXRNUPBQJCTHF-WQMJKPAKSA-N 1 0 373.375 2.851 20 5 FFBDRO COc1ccc(CNC(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000517738095 516431793 /nfs/dbraw/zinc/43/17/93/516431793.db2.gz WGEZANITQNMRIB-KGLIPLIRSA-N 1 0 364.446 2.523 20 5 FFBDRO COc1ccc(NC(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000543891900 516483226 /nfs/dbraw/zinc/48/32/26/516483226.db2.gz KSISVIIFBIFUNB-MRXNPFEDSA-N 1 0 372.425 2.898 20 5 FFBDRO COc1c(C(=O)N2CC([N@H+](C)Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000561282256 516499028 /nfs/dbraw/zinc/49/90/28/516499028.db2.gz RMMXERKTPHZMAK-UHFFFAOYSA-N 1 0 355.394 2.560 20 5 FFBDRO Cc1ncc2c(n1)CCN(Cc1cc([N+](=O)[O-])ccc1OC(F)F)C2 ZINC000535789694 516510015 /nfs/dbraw/zinc/51/00/15/516510015.db2.gz HCTXFSZEZMPOPA-UHFFFAOYSA-N 1 0 350.325 2.853 20 5 FFBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H](C)C1 ZINC000561347285 516535340 /nfs/dbraw/zinc/53/53/40/516535340.db2.gz IDPLMKXOSNMIJX-GDZNZVCISA-N 1 0 365.861 2.979 20 5 FFBDRO CC1CC[NH+]([C@H](CNC(=O)c2c[nH]nc2[N+](=O)[O-])c2ccccc2)CC1 ZINC000547756090 516544528 /nfs/dbraw/zinc/54/45/28/516544528.db2.gz JFOJIIOKROEWRO-MRXNPFEDSA-N 1 0 357.414 2.521 20 5 FFBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C[C@@H](C)C1 ZINC000558022809 516556448 /nfs/dbraw/zinc/55/64/48/516556448.db2.gz JOASVHSDNGZAEJ-JCGVRSQUSA-N 1 0 356.426 2.878 20 5 FFBDRO COC(=O)[C@H]1CCCC[C@@]1(C)[NH2+]CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000540574897 516626198 /nfs/dbraw/zinc/62/61/98/516626198.db2.gz LIPMJYHHWLRJOF-RDTXWAMCSA-N 1 0 366.414 2.694 20 5 FFBDRO C[C@H](CCNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)[NH+]1CCCCC1 ZINC000544338415 516708961 /nfs/dbraw/zinc/70/89/61/516708961.db2.gz MZYOTMGQLLSQCO-OAHLLOKOSA-N 1 0 358.442 2.930 20 5 FFBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cccc(NS(C)(=O)=O)c1 ZINC000531959921 516732711 /nfs/dbraw/zinc/73/27/11/516732711.db2.gz RUWYOCNHPNPMRD-ZDUSSCGKSA-N 1 0 363.439 2.860 20 5 FFBDRO COC(=O)CC1([NH2+]CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CCCC1 ZINC000548098472 516760731 /nfs/dbraw/zinc/76/07/31/516760731.db2.gz UXLZIJLJLKKGCQ-UHFFFAOYSA-N 1 0 369.805 2.652 20 5 FFBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000561777382 516768777 /nfs/dbraw/zinc/76/87/77/516768777.db2.gz WBJFMQRYPWKQTB-KRWDZBQOSA-N 1 0 362.474 2.899 20 5 FFBDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000536510009 516796550 /nfs/dbraw/zinc/79/65/50/516796550.db2.gz SPDWZTDWMRWZGG-AWEZNQCLSA-N 1 0 374.441 2.649 20 5 FFBDRO C[NH+]1CCC([C@H]2CCN(C(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)C2)CC1 ZINC000536515106 516798974 /nfs/dbraw/zinc/79/89/74/516798974.db2.gz RQNZEMDGOBWIEU-AWEZNQCLSA-N 1 0 356.426 2.880 20 5 FFBDRO COc1ccc(NC(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000541106694 516879143 /nfs/dbraw/zinc/87/91/43/516879143.db2.gz UPAHZQKNWVBKJU-STQMWFEESA-N 1 0 350.419 2.845 20 5 FFBDRO Cc1cc(NCc2cccc(NC(N)=O)c2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000541193149 516923560 /nfs/dbraw/zinc/92/35/60/516923560.db2.gz BENJIQIXLMCWHA-UHFFFAOYSA-N 1 0 351.366 2.976 20 5 FFBDRO CC[C@@H]([NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000536857079 516957806 /nfs/dbraw/zinc/95/78/06/516957806.db2.gz ILKHPDBKXHCQFT-OAHLLOKOSA-N 1 0 369.487 2.822 20 5 FFBDRO CC[N@H+](CCC1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1)CC(C)C ZINC000536926942 516983107 /nfs/dbraw/zinc/98/31/07/516983107.db2.gz IVWUXRNPSUDORP-UHFFFAOYSA-N 1 0 351.451 2.538 20 5 FFBDRO CC[NH+](CC)CC1CCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000532478901 516995783 /nfs/dbraw/zinc/99/57/83/516995783.db2.gz WXJKDWXNGNYDIJ-IBGZPJMESA-N 1 0 374.485 2.754 20 5 FFBDRO CC(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 ZINC000514727023 517025791 /nfs/dbraw/zinc/02/57/91/517025791.db2.gz MVZLPXYKFPYMLH-HNNXBMFYSA-N 1 0 371.393 2.877 20 5 FFBDRO COc1ccc(NC(=O)NC(=O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000537075161 517029852 /nfs/dbraw/zinc/02/98/52/517029852.db2.gz JAHOASQZGWSKNE-LBPRGKRZSA-N 1 0 372.381 2.602 20 5 FFBDRO C[C@@H]([NH2+]CC(=O)NCCOc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000537074971 517030632 /nfs/dbraw/zinc/03/06/32/517030632.db2.gz CCWHVESDNOKROV-CYBMUJFWSA-N 1 0 361.373 2.580 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)Cc1cccc(O)c1 ZINC000532566429 517036721 /nfs/dbraw/zinc/03/67/21/517036721.db2.gz LNABCGLCWUYFLO-UHFFFAOYSA-N 1 0 359.382 2.770 20 5 FFBDRO C[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1C(F)(F)F ZINC000537142854 517055526 /nfs/dbraw/zinc/05/55/26/517055526.db2.gz FRJGZJNIVLQBBK-PWSUYJOCSA-N 1 0 358.320 2.522 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CCc2ccc(Cl)cc2)c1 ZINC000559239859 517129137 /nfs/dbraw/zinc/12/91/37/517129137.db2.gz SWKNQODOKRRABA-MRXNPFEDSA-N 1 0 350.802 2.820 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H]2CCC[C@@H](C3CC3)C2)cc1 ZINC000541737680 517193368 /nfs/dbraw/zinc/19/33/68/517193368.db2.gz ALTZPXIZOVHWFK-CABCVRRESA-N 1 0 352.456 2.927 20 5 FFBDRO Cc1ncc(C[N@H+](C)CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)s1 ZINC000532919503 517201187 /nfs/dbraw/zinc/20/11/87/517201187.db2.gz GNQGMXZCOJZQHS-UHFFFAOYSA-N 1 0 362.411 2.790 20 5 FFBDRO COC[C@](C)(CC(=O)OC)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000541760815 517201343 /nfs/dbraw/zinc/20/13/43/517201343.db2.gz SMDLENYDCAJZFV-SFHVURJKSA-N 1 0 362.382 2.913 20 5 FFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCN3CCOC[C@H]3C2)s1 ZINC000541761092 517202408 /nfs/dbraw/zinc/20/24/08/517202408.db2.gz XLSGVLCHXZQGQF-CQSZACIVSA-N 1 0 359.451 2.840 20 5 FFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](CC(N)=O)c1ccccc1 ZINC000552381261 517231942 /nfs/dbraw/zinc/23/19/42/517231942.db2.gz CVTZYQFXHCEILM-GUYCJALGSA-N 1 0 370.409 2.518 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000532988298 517238931 /nfs/dbraw/zinc/23/89/31/517238931.db2.gz ACCDSAPUAUPOAG-CHWSQXEVSA-N 1 0 368.865 2.991 20 5 FFBDRO COc1ccc(CC(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)cc1[N+](=O)[O-] ZINC000532991254 517241473 /nfs/dbraw/zinc/24/14/73/517241473.db2.gz OLPRYROSPSEUFO-MRXNPFEDSA-N 1 0 363.458 2.630 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCc2ccc(O)cc2C1 ZINC000533072317 517278827 /nfs/dbraw/zinc/27/88/27/517278827.db2.gz FENQHPMOLFFXSI-UHFFFAOYSA-N 1 0 371.393 2.696 20 5 FFBDRO C[NH+](C)C1(CNC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CCCC1 ZINC000541943652 517302686 /nfs/dbraw/zinc/30/26/86/517302686.db2.gz AQXNKDNPQPOSTP-UHFFFAOYSA-N 1 0 357.357 2.800 20 5 FFBDRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000537718819 517307122 /nfs/dbraw/zinc/30/71/22/517307122.db2.gz WKPUHEUOLGELHL-ZDUSSCGKSA-N 1 0 365.455 2.632 20 5 FFBDRO COc1ccc(Cl)cc1C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000548950711 517323868 /nfs/dbraw/zinc/32/38/68/517323868.db2.gz UNFXFFJPFCTSNE-HNNXBMFYSA-N 1 0 366.801 2.786 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C1CCc2ccccc2CC1 ZINC000515414802 517343745 /nfs/dbraw/zinc/34/37/45/517343745.db2.gz IWBYLIADZUJYQU-GOSISDBHSA-N 1 0 356.422 2.872 20 5 FFBDRO C[C@@H](COc1cccc(F)c1)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000515466836 517363758 /nfs/dbraw/zinc/36/37/58/517363758.db2.gz AAMXDFQBFFHBQG-BBRMVZONSA-N 1 0 364.373 2.531 20 5 FFBDRO CC[NH+](CC)CCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])n2C)cc1 ZINC000515495183 517380056 /nfs/dbraw/zinc/38/00/56/517380056.db2.gz AOOVDUOTGWZKAZ-UHFFFAOYSA-N 1 0 360.414 2.906 20 5 FFBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H](S(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000537984514 517424552 /nfs/dbraw/zinc/42/45/52/517424552.db2.gz XRQAKEZRYUZVEX-CFVMTHIKSA-N 1 0 370.471 3.000 20 5 FFBDRO CNc1nccc(C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)c1[N+](=O)[O-] ZINC000552973095 517460406 /nfs/dbraw/zinc/46/04/06/517460406.db2.gz HMLYPTYDYMTMPJ-UHFFFAOYSA-N 1 0 369.425 2.692 20 5 FFBDRO C[NH+](C)[C@@H](CNC(=O)CCNc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000515926344 517513086 /nfs/dbraw/zinc/51/30/86/517513086.db2.gz OICKAAGOAXAISQ-SFHVURJKSA-N 1 0 374.416 2.955 20 5 FFBDRO Cc1ccc(C(=O)NCC[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000562944541 517520663 /nfs/dbraw/zinc/52/06/63/517520663.db2.gz YYPSCSSHBHBURS-IAGOWNOFSA-N 1 0 371.441 2.603 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H]1CC(=O)N(C)[C@H]1c1nccn1C ZINC000556707594 517588653 /nfs/dbraw/zinc/58/86/53/517588653.db2.gz WFDMRIHIYWDHCC-QWQRMKEZSA-N 1 0 371.441 2.507 20 5 FFBDRO C[C@@H]1C[NH+](C(C)(C)CNc2ncnc3sc([N+](=O)[O-])cc32)C[C@@H](C)O1 ZINC000553247353 517599393 /nfs/dbraw/zinc/59/93/93/517599393.db2.gz VECNADWFMHGMJI-GHMZBOCLSA-N 1 0 365.459 2.899 20 5 FFBDRO Cc1ncc([N+](=O)[O-])cc1-c1nc(-c2ccc(OCC[NH+](C)C)cc2)no1 ZINC000546275161 517626656 /nfs/dbraw/zinc/62/66/56/517626656.db2.gz MTJNSIMSGWVHNO-UHFFFAOYSA-N 1 0 369.381 2.956 20 5 FFBDRO Cc1cnc([C@H](C)C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000521228596 517659845 /nfs/dbraw/zinc/65/98/45/517659845.db2.gz FMDDFQSFLDZRCY-LLVKDONJSA-N 1 0 369.468 2.527 20 5 FFBDRO CCS[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000521426452 517723847 /nfs/dbraw/zinc/72/38/47/517723847.db2.gz BORVBGQPPFLEIQ-RRFJBIMHSA-N 1 0 354.472 2.988 20 5 FFBDRO CN(c1ccccc1)c1ccc(CNC[C@@]2(O)CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000546563318 517725766 /nfs/dbraw/zinc/72/57/66/517725766.db2.gz JQUCDZQFCWBJIV-FQEVSTJZSA-N 1 0 370.453 2.519 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CC=C(c3ccc(F)cc3)CC2)c1 ZINC000521428243 517726714 /nfs/dbraw/zinc/72/67/14/517726714.db2.gz CFJXRLIOJMZWHK-SJLPKXTDSA-N 1 0 360.389 2.517 20 5 FFBDRO COc1ccc(-c2ccc(C[NH2+]CCc3cnccn3)o2)c([N+](=O)[O-])c1 ZINC000527528384 517731560 /nfs/dbraw/zinc/73/15/60/517731560.db2.gz KCZCFHUHADGSBR-UHFFFAOYSA-N 1 0 354.366 2.986 20 5 FFBDRO CN(c1ccccc1)c1ccc(C[NH2+]C[C@H]2CC[C@@H](CO)O2)cc1[N+](=O)[O-] ZINC000516590778 517758995 /nfs/dbraw/zinc/75/89/95/517758995.db2.gz VHBRIXJOVFSSIX-MSOLQXFVSA-N 1 0 371.437 2.992 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000538743877 517759333 /nfs/dbraw/zinc/75/93/33/517759333.db2.gz SCGKPIHIINJHDV-UHFFFAOYSA-N 1 0 351.366 2.775 20 5 FFBDRO C[C@H]1C[C@@H](NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC000542852638 517782032 /nfs/dbraw/zinc/78/20/32/517782032.db2.gz OBYWXDDGLPDZIY-GXSJLCMTSA-N 1 0 355.341 2.551 20 5 FFBDRO CCO[C@@H]1C[C@H](Nc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)[C@H]1n1cccn1 ZINC000556996036 517796104 /nfs/dbraw/zinc/79/61/04/517796104.db2.gz WPCREPWWSLGTDR-IPMKNSEASA-N 1 0 367.409 2.900 20 5 FFBDRO C[C@@H]1CCC[N@H+](CCNC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000542921255 517816537 /nfs/dbraw/zinc/81/65/37/517816537.db2.gz ZNHLQSOUVSMXCS-LLVKDONJSA-N 1 0 357.357 2.658 20 5 FFBDRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000539082818 517904796 /nfs/dbraw/zinc/90/47/96/517904796.db2.gz JKUSHVWOGZPCQZ-GVDBMIGSSA-N 1 0 366.483 2.861 20 5 FFBDRO CC[NH+](CC)[C@H](C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000560616455 517933401 /nfs/dbraw/zinc/93/34/01/517933401.db2.gz YEOPZGSIPFOHLD-KRWDZBQOSA-N 1 0 367.409 2.915 20 5 FFBDRO CCOc1ccc(NC(=O)C[NH2+][C@H](CC)C2CCOCC2)c([N+](=O)[O-])c1 ZINC000539421477 518040477 /nfs/dbraw/zinc/04/04/77/518040477.db2.gz NEAKBLGAXBAJOH-OAHLLOKOSA-N 1 0 365.430 2.727 20 5 FFBDRO CNc1ccc(C(=O)N2CC[NH+](C3CCC(C)CC3)CC2)cc1[N+](=O)[O-] ZINC000522348677 518082464 /nfs/dbraw/zinc/08/24/64/518082464.db2.gz XLHLCEJHLWKQTN-UHFFFAOYSA-N 1 0 360.458 2.973 20 5 FFBDRO Cc1c(Br)c(N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)ncc1[N+](=O)[O-] ZINC000543437367 518091495 /nfs/dbraw/zinc/09/14/95/518091495.db2.gz UBVMRRDKWLVVFD-VXGBXAGGSA-N 1 0 369.263 2.981 20 5 FFBDRO COCC[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)c1ccco1 ZINC000543458485 518103025 /nfs/dbraw/zinc/10/30/25/518103025.db2.gz ADRNSDKELRTGOH-CYBMUJFWSA-N 1 0 363.370 2.502 20 5 FFBDRO Cc1nn(CCC(=O)NCC2([NH+](C)C)CCCCCC2)c(C)c1[N+](=O)[O-] ZINC000522597437 518132913 /nfs/dbraw/zinc/13/29/13/518132913.db2.gz JNZJITXGDJLFEL-UHFFFAOYSA-N 1 0 365.478 2.569 20 5 FFBDRO CN(CC[NH+]1CCCC1)C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000522648311 518140405 /nfs/dbraw/zinc/14/04/05/518140405.db2.gz FUVAVXRVLBIUGH-UHFFFAOYSA-N 1 0 355.822 2.571 20 5 FFBDRO COc1ccc(CC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000517427767 518146531 /nfs/dbraw/zinc/14/65/31/518146531.db2.gz NRGUTMDCTLFTNM-MRXNPFEDSA-N 1 0 361.442 2.623 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@H]1C ZINC000531141299 518152654 /nfs/dbraw/zinc/15/26/54/518152654.db2.gz QCCGODROAOLRSH-UKRRQHHQSA-N 1 0 359.430 2.949 20 5 FFBDRO Nc1c(C(=O)N(CC[NH+]2CCCC2)c2ccccc2)cccc1[N+](=O)[O-] ZINC000531152657 518155572 /nfs/dbraw/zinc/15/55/72/518155572.db2.gz JVNNXSQAISYCNC-UHFFFAOYSA-N 1 0 354.410 2.920 20 5 FFBDRO C[C@H]1CN(CC[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000539814921 518166733 /nfs/dbraw/zinc/16/67/33/518166733.db2.gz YKMGWZIZLZFPTM-OXJNMPFZSA-N 1 0 355.438 2.995 20 5 FFBDRO C[C@@H](CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[N@@H+]1CCCC[C@@H]1C ZINC000535371125 518177053 /nfs/dbraw/zinc/17/70/53/518177053.db2.gz FEGMICBIGZKLSS-KBPBESRZSA-N 1 0 358.442 2.998 20 5 FFBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000578464603 518221481 /nfs/dbraw/zinc/22/14/81/518221481.db2.gz ALMOFSSAGSFFAG-CABCVRRESA-N 1 0 373.457 2.791 20 5 FFBDRO CN(C)[C@H](C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000578521680 518249672 /nfs/dbraw/zinc/24/96/72/518249672.db2.gz HPMBKJBOAFYVNT-GOSISDBHSA-N 1 0 374.416 2.955 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000578521928 518250177 /nfs/dbraw/zinc/25/01/77/518250177.db2.gz STXODDFIIFYAEY-GFCCVEGCSA-N 1 0 354.765 2.917 20 5 FFBDRO Cc1[nH+]c2cc(NC[C@H](O)COc3ccccc3[N+](=O)[O-])ccc2n1C ZINC000575742451 518259417 /nfs/dbraw/zinc/25/94/17/518259417.db2.gz GQJKLFBXUKCLCC-AWEZNQCLSA-N 1 0 356.382 2.642 20 5 FFBDRO CNc1ccc(C(=O)Nc2ncc(C3CC[NH2+]CC3)s2)cc1[N+](=O)[O-] ZINC000575795975 518283906 /nfs/dbraw/zinc/28/39/06/518283906.db2.gz UZFXOFUUFKHNSX-UHFFFAOYSA-N 1 0 361.427 2.812 20 5 FFBDRO COc1cc2c(c(CN(CC[NH3+])c3ccccc3[N+](=O)[O-])c1)O[C@@H](C)C2 ZINC000572683084 518309125 /nfs/dbraw/zinc/30/91/25/518309125.db2.gz GEIQMTABNKREBH-ZDUSSCGKSA-N 1 0 357.410 2.892 20 5 FFBDRO CC[NH+]1CCC(CNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000564118685 518313962 /nfs/dbraw/zinc/31/39/62/518313962.db2.gz KJQDFHKRUNWEAW-UHFFFAOYSA-N 1 0 369.849 2.865 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1[C@@H]2CCc3ccccc3[C@@H]21 ZINC000575861721 518315416 /nfs/dbraw/zinc/31/54/16/518315416.db2.gz GTAYSZKGRFBOHX-BXIUTXANSA-N 1 0 354.406 2.653 20 5 FFBDRO CC[NH+]1CCC(CNC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000564132588 518318465 /nfs/dbraw/zinc/31/84/65/518318465.db2.gz MYZIJKHOIKMYBV-UHFFFAOYSA-N 1 0 362.474 2.949 20 5 FFBDRO CC[C@H]1C[N@H+](CC)CCN1C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000567084612 518344050 /nfs/dbraw/zinc/34/40/50/518344050.db2.gz FBMJHJKUDBZCLJ-HNNXBMFYSA-N 1 0 373.457 2.744 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1c[nH+]ccc1N1CCN(C)CC1 ZINC000578755256 518358669 /nfs/dbraw/zinc/35/86/69/518358669.db2.gz WTZJLQFHZXSZAM-UHFFFAOYSA-N 1 0 369.425 2.611 20 5 FFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000572869310 518400463 /nfs/dbraw/zinc/40/04/63/518400463.db2.gz KDORIRHSYFCKSU-YPMHNXCESA-N 1 0 372.450 2.925 20 5 FFBDRO CCOc1cc(NC(=O)N[C@@H](C)C[C@@H](C)[NH3+])c([N+](=O)[O-])cc1OCC ZINC000567269642 518439287 /nfs/dbraw/zinc/43/92/87/518439287.db2.gz QASOZKQZOHJQBS-MNOVXSKESA-N 1 0 354.407 2.640 20 5 FFBDRO Cc1c(CNC(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)cccc1[N+](=O)[O-] ZINC000573036212 518475283 /nfs/dbraw/zinc/47/52/83/518475283.db2.gz DOCZNRWFRGNGET-SFHVURJKSA-N 1 0 368.437 2.827 20 5 FFBDRO Cc1ccccc1O[C@@H](C)C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000576272460 518512407 /nfs/dbraw/zinc/51/24/07/518512407.db2.gz YWFVUDXSSRSZSJ-DOTOQJQBSA-N 1 0 360.410 2.700 20 5 FFBDRO C[C@@H]1C[C@@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)c2ccccc2O1 ZINC000567465042 518537060 /nfs/dbraw/zinc/53/70/60/518537060.db2.gz IMJVUUDFCMPWNG-QIIPPGSGSA-N 1 0 358.394 2.836 20 5 FFBDRO COc1ccc(-c2ccc(CN3CC[C@H]4C[NH2+]C[C@@H]4C3)o2)c([N+](=O)[O-])c1 ZINC000582002898 518542022 /nfs/dbraw/zinc/54/20/22/518542022.db2.gz KPNDBACQNHVPJB-UONOGXRCSA-N 1 0 357.410 2.905 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)NC[C@]3(C)CCC[NH2+]C3)cc2[N+](=O)[O-])C1 ZINC000564836721 518642431 /nfs/dbraw/zinc/64/24/31/518642431.db2.gz IUIKVQVDDWGWDZ-FOIQADDNSA-N 1 0 374.485 2.951 20 5 FFBDRO COC[C@H](Cc1ccccc1)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000564848013 518650422 /nfs/dbraw/zinc/65/04/22/518650422.db2.gz CCAIVILMPQCGBG-INIZCTEOSA-N 1 0 357.410 2.771 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C2CC(OCc3ccccc3)C2)c1 ZINC000573480791 518687061 /nfs/dbraw/zinc/68/70/61/518687061.db2.gz SOIXSXVWEZZLKY-KGXSXCIVSA-N 1 0 372.421 2.672 20 5 FFBDRO Cn1c2cc(NC3CC[NH+](C4CCCC4)CC3)c([N+](=O)[O-])cc2n(C)c1=O ZINC000587991871 518694008 /nfs/dbraw/zinc/69/40/08/518694008.db2.gz GCBCYSGARDIFRL-UHFFFAOYSA-N 1 0 373.457 2.604 20 5 FFBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1CN(C)Cc2ccccc21 ZINC000588640394 518793391 /nfs/dbraw/zinc/79/33/91/518793391.db2.gz UQJSQYWJJXVWII-SFHVURJKSA-N 1 0 368.437 2.965 20 5 FFBDRO O=[N+]([O-])c1cccc(CC[NH2+]C[C@H](O)COc2ccc(Cl)cc2)c1 ZINC000582541229 518804165 /nfs/dbraw/zinc/80/41/65/518804165.db2.gz DKNPQTVDVPXNQH-INIZCTEOSA-N 1 0 350.802 2.820 20 5 FFBDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000582579894 518819919 /nfs/dbraw/zinc/81/99/19/518819919.db2.gz BJXYMDJOGMXULN-CQSZACIVSA-N 1 0 373.457 2.602 20 5 FFBDRO CS(=O)(=O)Cc1ccccc1C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000565214214 518847433 /nfs/dbraw/zinc/84/74/33/518847433.db2.gz CRLIXRUIDKVOIF-QGZVFWFLSA-N 1 0 360.435 2.917 20 5 FFBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)CCn1cc(Br)cn1 ZINC000588986331 518888287 /nfs/dbraw/zinc/88/82/87/518888287.db2.gz DIICGSPJTHBEFW-UHFFFAOYSA-N 1 0 369.219 2.565 20 5 FFBDRO CSC1(CNC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC[NH+](C)CC1 ZINC000589312810 518978156 /nfs/dbraw/zinc/97/81/56/518978156.db2.gz KSQRKNKPIZOJRO-UHFFFAOYSA-N 1 0 352.460 2.852 20 5 FFBDRO CCOc1ccc([C@H](C)[NH2+]Cc2ccc(CC(N)=O)cc2)cc1[N+](=O)[O-] ZINC000589344820 518985119 /nfs/dbraw/zinc/98/51/19/518985119.db2.gz LZKSBPGIPOGFDX-ZDUSSCGKSA-N 1 0 357.410 2.872 20 5 FFBDRO COc1ccccc1OCC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000565520179 518995014 /nfs/dbraw/zinc/99/50/14/518995014.db2.gz YPELJBVQCLVOHA-GJZGRUSLSA-N 1 0 360.414 2.952 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCCCC[C@@H]2C[C@@H](C)O)c1 ZINC000589518594 519023802 /nfs/dbraw/zinc/02/38/02/519023802.db2.gz ZVZJQDJXLLWYLH-CZUORRHYSA-N 1 0 350.415 2.897 20 5 FFBDRO Cc1cc(NCc2ccc(CC(N)=O)cc2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000589601178 519038647 /nfs/dbraw/zinc/03/86/47/519038647.db2.gz ZMBJHNFNECIWNM-UHFFFAOYSA-N 1 0 350.378 2.513 20 5 FFBDRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3c(F)cc([N+](=O)[O-])cc3F)[C@H]2C1 ZINC000574236204 519054074 /nfs/dbraw/zinc/05/40/74/519054074.db2.gz SASQZYLRCNELRZ-PZSREKOKSA-N 1 0 353.369 2.610 20 5 FFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@H](SC)[C@@H]([NH+](C)C)C1 ZINC000574243335 519056413 /nfs/dbraw/zinc/05/64/13/519056413.db2.gz DTXRNLDSLRITPY-GJZGRUSLSA-N 1 0 352.460 2.667 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N(C)CCC[N@H+](C)Cc2ccncc2)c1 ZINC000580200627 519057794 /nfs/dbraw/zinc/05/77/94/519057794.db2.gz AZDGSGQZGFGYLN-UHFFFAOYSA-N 1 0 356.426 2.892 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H]2CCCc3sc(Cl)cc32)c1 ZINC000571433034 519094286 /nfs/dbraw/zinc/09/42/86/519094286.db2.gz OIJRTBWDJTZPFP-CMPLNLGQSA-N 1 0 356.835 2.534 20 5 FFBDRO C[NH+](C)C1(CN[C@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)CCOCC1 ZINC000565719848 519099301 /nfs/dbraw/zinc/09/93/01/519099301.db2.gz NBBZVEBDJIMGRM-CQSZACIVSA-N 1 0 361.364 2.899 20 5 FFBDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000568574810 519106672 /nfs/dbraw/zinc/10/66/72/519106672.db2.gz KWTDMFDAQMQQFJ-NSHDSACASA-N 1 0 372.263 2.745 20 5 FFBDRO COc1cc(C[NH2+][C@@H]2CC[C@](O)(C(F)(F)F)C2)c([N+](=O)[O-])cc1OC ZINC000589938999 519108968 /nfs/dbraw/zinc/10/89/68/519108968.db2.gz LSHZEVYOQMWUPW-QMTHXVAHSA-N 1 0 364.320 2.548 20 5 FFBDRO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000574367890 519119382 /nfs/dbraw/zinc/11/93/82/519119382.db2.gz WSQLEIACLJBLLS-QGZVFWFLSA-N 1 0 371.441 2.884 20 5 FFBDRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000580330104 519122050 /nfs/dbraw/zinc/12/20/50/519122050.db2.gz YGMDJKMFWGFKGB-RPBQFNSTSA-N 1 0 367.833 2.649 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CCc1cccc2cccnc21 ZINC000565828044 519153528 /nfs/dbraw/zinc/15/35/28/519153528.db2.gz FTQJPVKUMDMHND-KRWDZBQOSA-N 1 0 367.405 2.715 20 5 FFBDRO Cn1cc([C@@H]2CN(Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2(C)C)cn1 ZINC000565842679 519158176 /nfs/dbraw/zinc/15/81/76/519158176.db2.gz UMDYXYAGMBRMOD-AWEZNQCLSA-N 1 0 354.414 2.830 20 5 FFBDRO C[C@H](CN1CCOCC1)[N@H+](C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000590177310 519168659 /nfs/dbraw/zinc/16/86/59/519168659.db2.gz SXSCQJQPGHIQPO-GFCCVEGCSA-N 1 0 361.364 2.766 20 5 FFBDRO CC(C)Oc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])[nH]2)[NH+](C)C)cc1 ZINC000577672934 519195831 /nfs/dbraw/zinc/19/58/31/519195831.db2.gz BCGHNQUAYHPPAR-INIZCTEOSA-N 1 0 360.414 2.743 20 5 FFBDRO CC[NH+]1C[C@H](C)N(C(=O)c2ccc(Br)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000568796167 519217896 /nfs/dbraw/zinc/21/78/96/519217896.db2.gz OSIJGCOYXDIOQQ-QWRGUYRKSA-N 1 0 370.247 2.912 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N3CC[C@H]4C[N@H+](C)C[C@H]43)cc2[N+](=O)[O-])CC1 ZINC000590446586 519235493 /nfs/dbraw/zinc/23/54/93/519235493.db2.gz UWQQAOQUKZOFNY-QFBILLFUSA-N 1 0 372.469 2.607 20 5 FFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000566004657 519241913 /nfs/dbraw/zinc/24/19/13/519241913.db2.gz RHKDXJZSRJYBEX-KRWDZBQOSA-N 1 0 359.813 2.794 20 5 FFBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C1 ZINC000571782401 519273339 /nfs/dbraw/zinc/27/33/39/519273339.db2.gz ORQQJEADKXOTBK-OKILXGFUSA-N 1 0 373.457 2.836 20 5 FFBDRO CC1(C)CC[N@H+](CC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000574768765 519324050 /nfs/dbraw/zinc/32/40/50/519324050.db2.gz NIIITVZWNIGELV-UHFFFAOYSA-N 1 0 359.348 2.962 20 5 FFBDRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000566240053 519386848 /nfs/dbraw/zinc/38/68/48/519386848.db2.gz GOAMIPPPRNIHII-GDBMZVCRSA-N 1 0 360.458 2.540 20 5 FFBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000572056759 519420385 /nfs/dbraw/zinc/42/03/85/519420385.db2.gz ZUNHPEZXHJRWBZ-SGMGOOAPSA-N 1 0 366.849 2.744 20 5 FFBDRO C[N@@H+]1CCN(CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1Cc1ccccc1 ZINC000578149355 519444143 /nfs/dbraw/zinc/44/41/43/519444143.db2.gz RUGYOVPDLLMFNE-LJQANCHMSA-N 1 0 355.438 2.832 20 5 FFBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H](c2cncc(Br)c2)C2CC2)c1 ZINC000581027321 519485504 /nfs/dbraw/zinc/48/55/04/519485504.db2.gz SWYPASCERCQOII-CQSZACIVSA-N 1 0 366.219 2.690 20 5 FFBDRO O=C(CC[NH2+][C@@H]1CCN(c2ccccc2F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000569333184 519496235 /nfs/dbraw/zinc/49/62/35/519496235.db2.gz VWWQEXILOPZEQX-CQSZACIVSA-N 1 0 372.400 2.931 20 5 FFBDRO O=C(CC[NH2+]C[C@H](O)CCc1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000581072408 519509910 /nfs/dbraw/zinc/50/99/10/519509910.db2.gz ORDKNXYDHDIJQG-MRXNPFEDSA-N 1 0 357.410 2.507 20 5 FFBDRO O=C(NCCc1ccccc1[N+](=O)[O-])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000583943461 519510179 /nfs/dbraw/zinc/51/01/79/519510179.db2.gz KUSCCUBATFVPDL-GOSISDBHSA-N 1 0 353.422 2.776 20 5 FFBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000569401098 519529559 /nfs/dbraw/zinc/52/95/59/519529559.db2.gz OMKLYKMKELZUJF-AWEZNQCLSA-N 1 0 373.457 2.650 20 5 FFBDRO CN1CCC([N@@H+]2CC[C@@H](Nc3nccc4ccc([N+](=O)[O-])cc43)C2)CC1 ZINC000591147591 519529723 /nfs/dbraw/zinc/52/97/23/519529723.db2.gz RKWWOEAEBORHFX-OAHLLOKOSA-N 1 0 355.442 2.723 20 5 FFBDRO C[NH+]1CCC(N2CC[C@H](Nc3ncc([N+](=O)[O-])cc3C(F)(F)F)C2)CC1 ZINC000591147580 519530404 /nfs/dbraw/zinc/53/04/04/519530404.db2.gz OJFYLLLZESRSFA-NSHDSACASA-N 1 0 373.379 2.589 20 5 FFBDRO COCCC1(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000584107939 519594843 /nfs/dbraw/zinc/59/48/43/519594843.db2.gz BYFLOOVRSVGTRV-UHFFFAOYSA-N 1 0 370.471 2.555 20 5 FFBDRO [NH3+]CCCN(CC1CCCC1)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000584112432 519597678 /nfs/dbraw/zinc/59/76/78/519597678.db2.gz LDJIVFIPTLVHLW-UHFFFAOYSA-N 1 0 371.441 2.762 20 5 FFBDRO CC[C@@H]1CN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000591356427 519607693 /nfs/dbraw/zinc/60/76/93/519607693.db2.gz XZPFCLBYQIXPJR-RISCZKNCSA-N 1 0 354.838 2.560 20 5 FFBDRO CCC(C)(C)[NH+]1CCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC1 ZINC000594389534 519933783 /nfs/dbraw/zinc/93/37/83/519933783.db2.gz MEJYISKAGRVMBP-UHFFFAOYSA-N 1 0 371.441 2.727 20 5 FFBDRO CCOc1cc(C[NH2+][C@H]([C@@H]2CCCO2)C2(CO)CCC2)ccc1[N+](=O)[O-] ZINC000602891744 519953591 /nfs/dbraw/zinc/95/35/91/519953591.db2.gz OLPBUSFINJZTGX-FUHWJXTLSA-N 1 0 364.442 2.793 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)c(Cl)c1 ZINC000594483201 519992243 /nfs/dbraw/zinc/99/22/43/519992243.db2.gz CVLWAUGWVTYTPD-UONOGXRCSA-N 1 0 373.862 2.543 20 5 FFBDRO C[C@@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1nc2ccccc2[nH]1 ZINC000591723971 520013228 /nfs/dbraw/zinc/01/32/28/520013228.db2.gz XFIJSXBGIOMINY-OCCSQVGLSA-N 1 0 356.382 2.562 20 5 FFBDRO CC(C)[N@@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)C1 ZINC000594547609 520021758 /nfs/dbraw/zinc/02/17/58/520021758.db2.gz UQAFBXPXLCPQEK-AWEZNQCLSA-N 1 0 366.437 2.713 20 5 FFBDRO O=[N+]([O-])c1cccc(CC[NH2+]C[C@@H](O)COCc2ccccc2Cl)c1 ZINC000591757940 520025119 /nfs/dbraw/zinc/02/51/19/520025119.db2.gz ANZJLQAAIZYBLF-QGZVFWFLSA-N 1 0 364.829 2.958 20 5 FFBDRO O=C(CC[NH2+][C@@H]1CCc2cc(O)ccc2C1)Nc1ccccc1[N+](=O)[O-] ZINC000591763567 520028925 /nfs/dbraw/zinc/02/89/25/520028925.db2.gz GTMOJBZGAAJKMS-OAHLLOKOSA-N 1 0 355.394 2.776 20 5 FFBDRO CC(C)C[N@H+](C)CCCNc1ccc([N+](=O)[O-])c(N2CCOCC2)c1F ZINC000594586000 520039483 /nfs/dbraw/zinc/03/94/83/520039483.db2.gz IRBWJTQHNZRAMU-UHFFFAOYSA-N 1 0 368.453 2.960 20 5 FFBDRO O=[N+]([O-])c1ccccc1-c1ccc(CN2CC[N@@H+]3C[C@H](O)C[C@H]3C2)s1 ZINC000594613697 520056309 /nfs/dbraw/zinc/05/63/09/520056309.db2.gz QUSZGYNGOKIZEB-UONOGXRCSA-N 1 0 359.451 2.574 20 5 FFBDRO Cn1cc(CC[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])c2ccccc21 ZINC000594733472 520120834 /nfs/dbraw/zinc/12/08/34/520120834.db2.gz VXCSBEBVEKUNIS-INIZCTEOSA-N 1 0 369.421 2.659 20 5 FFBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NCC12CCC[NH+]1CCC2 ZINC000597587467 520121395 /nfs/dbraw/zinc/12/13/95/520121395.db2.gz USNXAQUUEHZRHQ-UHFFFAOYSA-N 1 0 367.833 2.762 20 5 FFBDRO C[NH+]1CCC2(CC1)CN(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])CCO2 ZINC000591990866 520125633 /nfs/dbraw/zinc/12/56/33/520125633.db2.gz FHAGKWHSKLZAEP-UHFFFAOYSA-N 1 0 359.348 2.915 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCc4ccc(O)cc4CC3)o2)cc1 ZINC000608866710 520149172 /nfs/dbraw/zinc/14/91/72/520149172.db2.gz VAXONWKLDKEXNM-UHFFFAOYSA-N 1 0 366.377 2.951 20 5 FFBDRO Cc1cc(C)c(S(=O)(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000594788155 520158385 /nfs/dbraw/zinc/15/83/85/520158385.db2.gz FXZXZFUEDSXCDX-CQSZACIVSA-N 1 0 369.487 2.610 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC000594793093 520161380 /nfs/dbraw/zinc/16/13/80/520161380.db2.gz UVAITUGCUNNDOY-AWEZNQCLSA-N 1 0 369.487 2.610 20 5 FFBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(Cn2cc(C[C@@H]3CCC[NH2+]C3)nn2)c1 ZINC000603230582 520169403 /nfs/dbraw/zinc/16/94/03/520169403.db2.gz DDMYAFCGMNRNAQ-NSHDSACASA-N 1 0 369.347 2.796 20 5 FFBDRO Cn1c(C(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000608964824 520170598 /nfs/dbraw/zinc/17/05/98/520170598.db2.gz ZKAGLISIQGIJLP-UHFFFAOYSA-N 1 0 370.453 2.918 20 5 FFBDRO Cc1c(Br)cc(C(=O)N2CC[C@H]([NH+](C)C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000597699643 520183831 /nfs/dbraw/zinc/18/38/31/520183831.db2.gz LHBBFKDVCQKLPY-GWCFXTLKSA-N 1 0 370.247 2.830 20 5 FFBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000597701658 520187403 /nfs/dbraw/zinc/18/74/03/520187403.db2.gz VSLHULJADCWVHO-RNCFNFMXSA-N 1 0 356.220 2.522 20 5 FFBDRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccc([N+](=O)[O-])c3cccnc13)C2 ZINC000597709748 520190664 /nfs/dbraw/zinc/19/06/64/520190664.db2.gz BBISPXPMSDFJKP-LJQANCHMSA-N 1 0 354.410 2.701 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000609157479 520213667 /nfs/dbraw/zinc/21/36/67/520213667.db2.gz UVIYIEFZGKHUGZ-MRXNPFEDSA-N 1 0 357.414 2.765 20 5 FFBDRO COc1cc(C[NH2+]C/C=C\CO)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000594973502 520236205 /nfs/dbraw/zinc/23/62/05/520236205.db2.gz DGXLIVIKLCRGHH-IHWYPQMZSA-N 1 0 358.394 2.821 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H](C(C)C)N1CCOCC1 ZINC000595003735 520252680 /nfs/dbraw/zinc/25/26/80/520252680.db2.gz KZFCVEGJXHZPNE-YOEHRIQHSA-N 1 0 351.447 2.611 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000595046186 520268751 /nfs/dbraw/zinc/26/87/51/520268751.db2.gz JFZNARZLZMBORL-KBXIAJHMSA-N 1 0 351.447 2.752 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C1CCN(c2cccnn2)CC1 ZINC000595048906 520269955 /nfs/dbraw/zinc/26/99/55/520269955.db2.gz SMYAVNYLQGBMPC-CYBMUJFWSA-N 1 0 357.414 2.713 20 5 FFBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000609309851 520270896 /nfs/dbraw/zinc/27/08/96/520270896.db2.gz OYLISEOZJDYWBB-OAHLLOKOSA-N 1 0 356.426 2.683 20 5 FFBDRO O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000600474551 520281422 /nfs/dbraw/zinc/28/14/22/520281422.db2.gz YORQELUDYFPDID-INIZCTEOSA-N 1 0 358.442 2.916 20 5 FFBDRO O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000600474552 520281591 /nfs/dbraw/zinc/28/15/91/520281591.db2.gz YORQELUDYFPDID-MRXNPFEDSA-N 1 0 358.442 2.916 20 5 FFBDRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000609346922 520290030 /nfs/dbraw/zinc/29/00/30/520290030.db2.gz WBHBNMZSCYGXGT-GJZGRUSLSA-N 1 0 371.441 2.773 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592254569 520292349 /nfs/dbraw/zinc/29/23/49/520292349.db2.gz HDTXCJCBQZSRLU-HUUCEWRRSA-N 1 0 368.437 2.995 20 5 FFBDRO CCS(=O)(=O)C1(C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000595103494 520296459 /nfs/dbraw/zinc/29/64/59/520296459.db2.gz NXIBWKVJFCCBDK-MRXNPFEDSA-N 1 0 352.456 2.919 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCC2CC[NH+](C3CCOCC3)CC2)c1 ZINC000597873366 520297899 /nfs/dbraw/zinc/29/78/99/520297899.db2.gz INAOJYWPAILEEP-UHFFFAOYSA-N 1 0 361.442 2.524 20 5 FFBDRO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNc3ccsc3[N+](=O)[O-])c2)C1 ZINC000609384128 520300486 /nfs/dbraw/zinc/30/04/86/520300486.db2.gz RDLGSLGCQZILKF-OAHLLOKOSA-N 1 0 374.466 2.966 20 5 FFBDRO Cc1ccc(C(=O)NCC2CC[NH+](C3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000597878233 520301436 /nfs/dbraw/zinc/30/14/36/520301436.db2.gz OUWGPRJUBCCLMD-UHFFFAOYSA-N 1 0 361.442 2.524 20 5 FFBDRO O=C(COc1cccc([N+](=O)[O-])c1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000603573708 520312730 /nfs/dbraw/zinc/31/27/30/520312730.db2.gz FODPIORMYVGLPJ-UHFFFAOYSA-N 1 0 369.421 2.886 20 5 FFBDRO CC[NH+](CC)Cc1ccc(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)o1 ZINC000609455069 520316872 /nfs/dbraw/zinc/31/68/72/520316872.db2.gz YGEJONZNUYBDCB-UHFFFAOYSA-N 1 0 361.398 2.838 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000597925401 520326452 /nfs/dbraw/zinc/32/64/52/520326452.db2.gz OMRXELAHDOEVAO-MRXNPFEDSA-N 1 0 374.485 2.800 20 5 FFBDRO Cc1ccccc1C[N@@H+]1CCCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000603628965 520330823 /nfs/dbraw/zinc/33/08/23/520330823.db2.gz BKBSFNRTFIBYIM-UHFFFAOYSA-N 1 0 368.437 2.714 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000609509296 520336881 /nfs/dbraw/zinc/33/68/81/520336881.db2.gz NMUUMCBCYDROIU-BXUZGUMPSA-N 1 0 367.833 2.711 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)c1C ZINC000603659049 520337281 /nfs/dbraw/zinc/33/72/81/520337281.db2.gz UGOKHXACJLLPPF-JSGCOSHPSA-N 1 0 369.487 2.610 20 5 FFBDRO C[C@@H]1CCN(C(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)C[C@@H]1[NH3+] ZINC000595229432 520362028 /nfs/dbraw/zinc/36/20/28/520362028.db2.gz YQAJXIMDWMQNAZ-MPTYRVRUSA-N 1 0 374.485 2.886 20 5 FFBDRO C[C@H](CCNC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1)[NH+](C)C ZINC000597994575 520365531 /nfs/dbraw/zinc/36/55/31/520365531.db2.gz BVKIULRLRIEXON-HUUCEWRRSA-N 1 0 362.474 2.901 20 5 FFBDRO COc1ccc(CNC(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)cc1[N+](=O)[O-] ZINC000595250458 520371726 /nfs/dbraw/zinc/37/17/26/520371726.db2.gz SQKNHHKYDVAMGA-MRXNPFEDSA-N 1 0 369.421 2.912 20 5 FFBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000595268360 520380108 /nfs/dbraw/zinc/38/01/08/520380108.db2.gz HHVXFRBXRVXEAW-RTBURBONSA-N 1 0 371.412 2.928 20 5 FFBDRO CCN(C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)[C@@H]1CC[N@H+](CC)C1 ZINC000598044153 520392878 /nfs/dbraw/zinc/39/28/78/520392878.db2.gz YPGRTEUXIGIMMU-QGZVFWFLSA-N 1 0 374.485 2.754 20 5 FFBDRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])cn2C)CC1 ZINC000609696225 520410017 /nfs/dbraw/zinc/41/00/17/520410017.db2.gz QEXVBZIOFYQOQX-AWEZNQCLSA-N 1 0 356.426 2.889 20 5 FFBDRO COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000609705264 520410445 /nfs/dbraw/zinc/41/04/45/520410445.db2.gz NEGHAMSYECYZPG-GXTWGEPZSA-N 1 0 369.849 2.611 20 5 FFBDRO C[NH+](C)CCOc1cccc(NC(=O)CCOc2ccccc2[N+](=O)[O-])c1 ZINC000603965022 520417314 /nfs/dbraw/zinc/41/73/14/520417314.db2.gz TWIXFWHJNLYDQT-UHFFFAOYSA-N 1 0 373.409 2.943 20 5 FFBDRO CC(C)(C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc2ccccc2c1 ZINC000600757163 520451741 /nfs/dbraw/zinc/45/17/41/520451741.db2.gz JUSJRXYLOCBFJT-LJQANCHMSA-N 1 0 368.437 2.873 20 5 FFBDRO CC[C@@H]1CN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000592544275 520452000 /nfs/dbraw/zinc/45/20/00/520452000.db2.gz BGOIICUCDDZQPK-DGCLKSJQSA-N 1 0 355.822 2.603 20 5 FFBDRO COc1ccc(C[NH+](C)C)cc1NC(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000617368421 520458649 /nfs/dbraw/zinc/45/86/49/520458649.db2.gz QKRSSFCHSGMBBC-UHFFFAOYSA-N 1 0 359.382 2.926 20 5 FFBDRO COC1CC[NH+](C(C)(C)CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000609881313 520467947 /nfs/dbraw/zinc/46/79/47/520467947.db2.gz FGJFELIQUBWJSP-UHFFFAOYSA-N 1 0 369.849 2.867 20 5 FFBDRO C[C@@H](CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)C[NH+]1CCCCC1 ZINC000604185791 520473822 /nfs/dbraw/zinc/47/38/22/520473822.db2.gz OAKQQDRSLQEWJV-HNNXBMFYSA-N 1 0 371.441 2.632 20 5 FFBDRO Cc1c(NC(=O)CC[NH2+][C@@H](CO)[C@@H](C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000613388486 520476580 /nfs/dbraw/zinc/47/65/80/520476580.db2.gz AJCAAOPWQGMTND-KSSFIOAISA-N 1 0 371.437 2.986 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](CO)[C@@H](C)c1ccccc1 ZINC000613389710 520478554 /nfs/dbraw/zinc/47/85/54/520478554.db2.gz KUKDYLWBHFPWIJ-KSSFIOAISA-N 1 0 357.410 2.596 20 5 FFBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000610100366 520539608 /nfs/dbraw/zinc/53/96/08/520539608.db2.gz WYQVHIKUZLVESH-QZTJIDSGSA-N 1 0 360.458 2.844 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[NH+](C3CCCC3)CC2)c1 ZINC000604437023 520561542 /nfs/dbraw/zinc/56/15/42/520561542.db2.gz QJBYBTHKAZYJPM-UHFFFAOYSA-N 1 0 361.442 2.759 20 5 FFBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000604445590 520565623 /nfs/dbraw/zinc/56/56/23/520565623.db2.gz KOBKAFGMPVOGFV-NFAWXSAZSA-N 1 0 371.441 2.949 20 5 FFBDRO CCC[N@@H+]1CC[C@@H](NC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])C1 ZINC000598342480 520566320 /nfs/dbraw/zinc/56/63/20/520566320.db2.gz NTELWNLSLCPWCR-LLVKDONJSA-N 1 0 353.444 2.539 20 5 FFBDRO CCC[N@@H+]1CC[C@H](NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])C1 ZINC000598342336 520566934 /nfs/dbraw/zinc/56/69/34/520566934.db2.gz MIEVIJLOPBAULA-HNNXBMFYSA-N 1 0 354.410 2.871 20 5 FFBDRO CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000598342707 520567289 /nfs/dbraw/zinc/56/72/89/520567289.db2.gz PEDGJYFGEITAMZ-NSHDSACASA-N 1 0 356.220 2.571 20 5 FFBDRO COC[C@@H]([NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])C1CCOCC1 ZINC000595617345 520596642 /nfs/dbraw/zinc/59/66/42/520596642.db2.gz RUXJRDJUWGXJGT-CQSZACIVSA-N 1 0 373.247 2.889 20 5 FFBDRO CCCN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)[C@H]1CC[N@H+](C)C1 ZINC000592828329 520604738 /nfs/dbraw/zinc/60/47/38/520604738.db2.gz GPQJXCWXHNAAEU-ZDUSSCGKSA-N 1 0 370.247 2.914 20 5 FFBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@]2(Cc3ccc(Cl)cc3)CCCOC2)c1 ZINC000595670313 520635197 /nfs/dbraw/zinc/63/51/97/520635197.db2.gz BIURIOKIJYAOQS-QGZVFWFLSA-N 1 0 364.833 2.826 20 5 FFBDRO COc1ccc(NC(=O)CC[N@@H+]2CC3(CCC3)OC[C@H]2C)c([N+](=O)[O-])c1 ZINC000595684050 520645729 /nfs/dbraw/zinc/64/57/29/520645729.db2.gz ZJWZIMPALUIOCM-CYBMUJFWSA-N 1 0 363.414 2.575 20 5 FFBDRO COCCOc1ccc(C[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)cc1 ZINC000601150090 520661896 /nfs/dbraw/zinc/66/18/96/520661896.db2.gz UKSSJOHHPGVHAY-LJQANCHMSA-N 1 0 360.410 2.617 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@](C)(CO)C2CCCCC2)c1 ZINC000593014353 520684846 /nfs/dbraw/zinc/68/48/46/520684846.db2.gz JBSUYIYZVWHWOD-SFHVURJKSA-N 1 0 350.415 2.802 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000598541495 520690259 /nfs/dbraw/zinc/69/02/59/520690259.db2.gz UXRZQWCDCSKLNP-MRXNPFEDSA-N 1 0 363.458 2.703 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)c1 ZINC000593026438 520691202 /nfs/dbraw/zinc/69/12/02/520691202.db2.gz BSAZKDCNKRHAJU-DJIMGWMZSA-N 1 0 360.410 2.819 20 5 FFBDRO COc1cc(C(=O)NCC2CC[NH+](CC3CC3)CC2)cc([N+](=O)[O-])c1C ZINC000598544567 520693199 /nfs/dbraw/zinc/69/31/99/520693199.db2.gz ZPPZTUKPIARANU-UHFFFAOYSA-N 1 0 361.442 2.764 20 5 FFBDRO CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000593030048 520694774 /nfs/dbraw/zinc/69/47/74/520694774.db2.gz IWOQYNYXNSTNTB-CABCVRRESA-N 1 0 364.398 2.593 20 5 FFBDRO COc1ccc2c(c1)CC[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000595758163 520702246 /nfs/dbraw/zinc/70/22/46/520702246.db2.gz CIXNSVUTMAWOPE-UHFFFAOYSA-N 1 0 355.394 2.990 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1C(F)(F)F ZINC000610468605 520702729 /nfs/dbraw/zinc/70/27/29/520702729.db2.gz QRUVKDOCUCENSM-LSDHHAIUSA-N 1 0 359.348 2.649 20 5 FFBDRO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@H](OC(C)C)C2)c([N+](=O)[O-])c1 ZINC000593055718 520714018 /nfs/dbraw/zinc/71/40/18/520714018.db2.gz NIWVESMEGBUCFD-HNNXBMFYSA-N 1 0 365.430 2.821 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H]1CCC[C@H]1Cc1cnn(C)c1 ZINC000595774008 520715090 /nfs/dbraw/zinc/71/50/90/520715090.db2.gz ZAZJKSDKZDDWPT-HOTGVXAUSA-N 1 0 371.441 2.576 20 5 FFBDRO COC(=O)c1ccnc(NCC2CC[NH+](CCC(C)C)CC2)c1[N+](=O)[O-] ZINC000598602093 520737817 /nfs/dbraw/zinc/73/78/17/520737817.db2.gz HRCXWISPSGMDDN-UHFFFAOYSA-N 1 0 364.446 2.946 20 5 FFBDRO Cc1ccc(S(=O)(=O)NC(C)(C)CCC[NH+](C)C)c(C)c1[N+](=O)[O-] ZINC000598612228 520741839 /nfs/dbraw/zinc/74/18/39/520741839.db2.gz TWRDLZXFXXGRSW-UHFFFAOYSA-N 1 0 357.476 2.610 20 5 FFBDRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCC(F)CC1 ZINC000595817752 520744497 /nfs/dbraw/zinc/74/44/97/520744497.db2.gz CALGCIQENLUNGK-IYXRBSQSSA-N 1 0 358.435 2.875 20 5 FFBDRO C[C@@H]([NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C1CCC(F)CC1 ZINC000595819087 520746053 /nfs/dbraw/zinc/74/60/53/520746053.db2.gz MFVIEPXHJCDHIT-VOMCLLRMSA-N 1 0 367.377 2.768 20 5 FFBDRO COC(=O)c1ccnc(NC[C@@H]2CCC[N@@H+]2C2CCCCC2)c1[N+](=O)[O-] ZINC000598624199 520749586 /nfs/dbraw/zinc/74/95/86/520749586.db2.gz GCANYZPVDYJSOV-AWEZNQCLSA-N 1 0 362.430 2.985 20 5 FFBDRO COc1cc(C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)c([N+](=O)[O-])cc1OC(F)F ZINC000595830353 520753551 /nfs/dbraw/zinc/75/35/51/520753551.db2.gz KRIVLCZAEMKGJG-PWSUYJOCSA-N 1 0 358.341 2.673 20 5 FFBDRO NC(=O)c1cccc2c1CC[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000595902391 520807940 /nfs/dbraw/zinc/80/79/40/520807940.db2.gz IQQZGLBSEBRVOQ-UHFFFAOYSA-N 1 0 355.394 2.521 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1c2ccccc2CC[C@@H]1C[NH3+] ZINC000595902594 520809549 /nfs/dbraw/zinc/80/95/49/520809549.db2.gz ADAKKUDJBUKBFW-MRXNPFEDSA-N 1 0 354.410 2.622 20 5 FFBDRO [NH3+]C[C@@H]1CCc2ccccc2N1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000595903511 520809629 /nfs/dbraw/zinc/80/96/29/520809629.db2.gz XEHABGIMFRSLQY-INIZCTEOSA-N 1 0 365.393 2.925 20 5 FFBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2[C@H](C)C[N@H+](C)[C@H](C)[C@H]2C)cc1OC ZINC000593188159 520810647 /nfs/dbraw/zinc/81/06/47/520810647.db2.gz WWZMRGRAPJDZFP-JHJVBQTASA-N 1 0 365.430 2.555 20 5 FFBDRO CCC1([NH+]2CCCC2)CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000601496270 520813462 /nfs/dbraw/zinc/81/34/62/520813462.db2.gz AHOCKKTYICPLCR-UHFFFAOYSA-N 1 0 367.471 2.624 20 5 FFBDRO Cc1ccc(S(=O)(=O)N2CCC(C)([NH+]3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000601497267 520813653 /nfs/dbraw/zinc/81/36/53/520813653.db2.gz STAMDTPFHJNPAQ-UHFFFAOYSA-N 1 0 367.471 2.542 20 5 FFBDRO CC1(C)CC[NH2+][C@H]1C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000595922778 520827595 /nfs/dbraw/zinc/82/75/95/520827595.db2.gz KMGMGGOFGGQYTL-ZDUSSCGKSA-N 1 0 374.363 2.530 20 5 FFBDRO Cc1ccc(NCCCNC(=O)c2cccc3c2CC[NH2+]C3)c([N+](=O)[O-])c1 ZINC000595937586 520832590 /nfs/dbraw/zinc/83/25/90/520832590.db2.gz HDNMTDOJTNBZHW-UHFFFAOYSA-N 1 0 368.437 2.781 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)NCC3([NH3+])CCCC3)cc2[N+](=O)[O-])C1 ZINC000595940380 520833384 /nfs/dbraw/zinc/83/33/84/520833384.db2.gz DNZPDOWGCNWHCW-CQSZACIVSA-N 1 0 360.458 2.832 20 5 FFBDRO CNc1ccc(C(=O)N2C[C@@H](C[NH+](C)C)Oc3ccccc32)cc1[N+](=O)[O-] ZINC000610764824 520833360 /nfs/dbraw/zinc/83/33/60/520833360.db2.gz XVUHRNWEXSCTOP-CQSZACIVSA-N 1 0 370.409 2.606 20 5 FFBDRO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000598913271 520913891 /nfs/dbraw/zinc/91/38/91/520913891.db2.gz HQHIXXZXNZITIT-HIFRSBDPSA-N 1 0 368.821 2.608 20 5 FFBDRO C[C@@H](c1ccc(F)cc1F)N1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596108247 520916789 /nfs/dbraw/zinc/91/67/89/520916789.db2.gz RKWRUJLITMDPNQ-NSHDSACASA-N 1 0 364.352 2.857 20 5 FFBDRO O=[N+]([O-])c1cc(N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)ccc1C(F)(F)F ZINC000596112270 520919840 /nfs/dbraw/zinc/91/98/40/520919840.db2.gz LUCNIVRMTIHCMX-DZGCQCFKSA-N 1 0 359.348 2.649 20 5 FFBDRO COc1cc(C[NH2+][C@@H]2CCc3cc(O)ccc3C2)c([N+](=O)[O-])cc1OC ZINC000618197878 520930224 /nfs/dbraw/zinc/93/02/24/520930224.db2.gz OQUHEJDMEOYUMR-OAHLLOKOSA-N 1 0 358.394 2.965 20 5 FFBDRO CCC1([NH+]2CCCC2)CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000601745380 520930277 /nfs/dbraw/zinc/93/02/77/520930277.db2.gz SMIQLYQOFGTALW-UHFFFAOYSA-N 1 0 361.442 2.841 20 5 FFBDRO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596150503 520939934 /nfs/dbraw/zinc/93/99/34/520939934.db2.gz CALAZBNDOZAEPV-HNNXBMFYSA-N 1 0 368.437 2.795 20 5 FFBDRO O=C(NCCC[NH+]1CCCC1)c1c(Br)cccc1[N+](=O)[O-] ZINC000598975960 520953571 /nfs/dbraw/zinc/95/35/71/520953571.db2.gz PLWATYPIGPSRDG-UHFFFAOYSA-N 1 0 356.220 2.573 20 5 FFBDRO CCC1([NH+](C)C)CCN(C(=O)c2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC000601791605 520955130 /nfs/dbraw/zinc/95/51/30/520955130.db2.gz LONAAFVHGNYPBP-UHFFFAOYSA-N 1 0 353.394 2.689 20 5 FFBDRO CS[C@H]1CN(c2c(Br)cccc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000596181321 520955711 /nfs/dbraw/zinc/95/57/11/520955711.db2.gz ZWABKNFUQKNYCS-NEPJUHHUSA-N 1 0 360.277 2.839 20 5 FFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1CCCN1CC(F)F ZINC000599066611 521010390 /nfs/dbraw/zinc/01/03/90/521010390.db2.gz SZQFGHJPAGNCGI-IUODEOHRSA-N 1 0 370.400 2.631 20 5 FFBDRO C[NH+]1CCC2(CC1)CN(c1c(Br)cccc1[N+](=O)[O-])CCO2 ZINC000596290850 521011475 /nfs/dbraw/zinc/01/14/75/521011475.db2.gz FGHQUTOIGAHFAR-UHFFFAOYSA-N 1 0 370.247 2.658 20 5 FFBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000611155584 521014865 /nfs/dbraw/zinc/01/48/65/521014865.db2.gz DZSHLMLQAUDVRY-UHFFFAOYSA-N 1 0 360.458 2.655 20 5 FFBDRO CC1([NH+]2CCOCC2)CCN(c2ccc([N+](=O)[O-])c3cccnc32)CC1 ZINC000599161062 521062788 /nfs/dbraw/zinc/06/27/88/521062788.db2.gz VYKLYFLRGXXNLA-UHFFFAOYSA-N 1 0 356.426 2.834 20 5 FFBDRO COc1cccc(NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)c1[N+](=O)[O-] ZINC000596425280 521064998 /nfs/dbraw/zinc/06/49/98/521064998.db2.gz XKWKQFUTOJIMJN-MRXNPFEDSA-N 1 0 357.410 2.782 20 5 FFBDRO O=[N+]([O-])c1ccccc1-c1ccc(CN2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)o1 ZINC000611268461 521068382 /nfs/dbraw/zinc/06/83/82/521068382.db2.gz SMDDSUQCQJTICH-RTBURBONSA-N 1 0 371.437 2.886 20 5 FFBDRO C[N@@H+]1CC[C@@H](NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000593559784 521076600 /nfs/dbraw/zinc/07/66/00/521076600.db2.gz NMFMADGXWJCLPV-VQIMIIECSA-N 1 0 357.385 2.838 20 5 FFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000596540036 521124118 /nfs/dbraw/zinc/12/41/18/521124118.db2.gz SCFBQUOIOPISSF-CYBMUJFWSA-N 1 0 359.348 2.649 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C2CCN(CC(F)F)CC2)n1 ZINC000618570581 521129306 /nfs/dbraw/zinc/12/93/06/521129306.db2.gz YVSZBSASVVHCFL-ZIAGYGMSSA-N 1 0 357.405 2.594 20 5 FFBDRO O=C(CC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)N1CCCCCC1 ZINC000618570521 521130215 /nfs/dbraw/zinc/13/02/15/521130215.db2.gz OWMAXGBSGSIBDG-HZPDHXFCSA-N 1 0 363.462 2.657 20 5 FFBDRO C[NH+](C)CCC[C@H]1CN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)CCO1 ZINC000596565938 521133615 /nfs/dbraw/zinc/13/36/15/521133615.db2.gz IKJFHSXUXVIMAZ-LBPRGKRZSA-N 1 0 362.352 2.556 20 5 FFBDRO CN(CCC[N@H+](C)Cc1ccncc1)C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593716634 521170840 /nfs/dbraw/zinc/17/08/40/521170840.db2.gz UTHDWPMNJLESBN-UHFFFAOYSA-N 1 0 374.416 2.652 20 5 FFBDRO CCOc1cc(NC(=O)NCCC2(C[NH3+])CC2)c([N+](=O)[O-])cc1OCC ZINC000593759117 521197523 /nfs/dbraw/zinc/19/75/23/521197523.db2.gz ORZQNKFIOXSMHE-UHFFFAOYSA-N 1 0 366.418 2.643 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H](OC(F)F)C1 ZINC000611578005 521232818 /nfs/dbraw/zinc/23/28/18/521232818.db2.gz MLZUPDNHBHTULJ-CYBMUJFWSA-N 1 0 357.357 2.935 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)c1C ZINC000599464895 521241159 /nfs/dbraw/zinc/24/11/59/521241159.db2.gz WKMOKMFIGPXKFN-OAHLLOKOSA-N 1 0 367.471 2.507 20 5 FFBDRO CN(CC[NH+]1CCCCC1)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000593884613 521272632 /nfs/dbraw/zinc/27/26/32/521272632.db2.gz UBZLQVVIMFZNMX-UHFFFAOYSA-N 1 0 370.247 2.915 20 5 FFBDRO C[NH+](C)[C@@H](CNc1ncnc2ccc([N+](=O)[O-])cc21)c1cccc(F)c1 ZINC000611700302 521286427 /nfs/dbraw/zinc/28/64/27/521286427.db2.gz ONVICPVBYPHQBO-KRWDZBQOSA-N 1 0 355.373 2.814 20 5 FFBDRO CC1CCN(c2ccc(C(=O)NCCC3(C[NH3+])CC3)cc2[N+](=O)[O-])CC1 ZINC000593914960 521289114 /nfs/dbraw/zinc/28/91/14/521289114.db2.gz RBBJFHSVGLFBRS-UHFFFAOYSA-N 1 0 360.458 2.690 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)NCCC3CC[NH2+]CC3)cc2[N+](=O)[O-])C1 ZINC000593920108 521292296 /nfs/dbraw/zinc/29/22/96/521292296.db2.gz XOKQFYLDRJWWCV-OAHLLOKOSA-N 1 0 374.485 2.951 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000599574324 521306619 /nfs/dbraw/zinc/30/66/19/521306619.db2.gz SEYIETVNKZQIQI-DNVCBOLYSA-N 1 0 357.410 2.861 20 5 FFBDRO CCOc1cc(NC(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)c([N+](=O)[O-])cc1OCC ZINC000599598556 521321849 /nfs/dbraw/zinc/32/18/49/521321849.db2.gz GCOQWTQFKWGRBN-NEPJUHHUSA-N 1 0 366.418 2.654 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000599603471 521326321 /nfs/dbraw/zinc/32/63/21/521326321.db2.gz HPJYMKJWRHZBED-PWSUYJOCSA-N 1 0 360.336 2.894 20 5 FFBDRO CC1(N2CCOCC2)CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000599617881 521335645 /nfs/dbraw/zinc/33/56/45/521335645.db2.gz NUZRKZXEWNBGIR-UHFFFAOYSA-N 1 0 363.458 2.550 20 5 FFBDRO COc1cc(C[N@@H+]2CCCCC[C@@H]2CO)c([N+](=O)[O-])cc1OCC(F)F ZINC000594016657 521349171 /nfs/dbraw/zinc/34/91/71/521349171.db2.gz CIELSRGHXXFCRI-CYBMUJFWSA-N 1 0 374.384 2.984 20 5 FFBDRO COC(=O)[C@]12C[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)C[C@H]1CCCC2 ZINC000594018417 521352397 /nfs/dbraw/zinc/35/23/97/521352397.db2.gz KGJNBPVVHCRQRQ-KZULUSFZSA-N 1 0 359.382 2.901 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H]1c1ccc(=O)[nH]n1 ZINC000599641283 521353446 /nfs/dbraw/zinc/35/34/46/521353446.db2.gz MOHIOGVKNZEJFI-INIZCTEOSA-N 1 0 371.397 2.565 20 5 FFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3ccc4nccnc4c3)C2)nc1 ZINC000602471615 521363679 /nfs/dbraw/zinc/36/36/79/521363679.db2.gz FHMJLAOVUOHJEA-CQSZACIVSA-N 1 0 350.382 2.619 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](CC(=O)OC(C)C)C(C)C ZINC000594038520 521365979 /nfs/dbraw/zinc/36/59/79/521365979.db2.gz BMSHFHDTAQZAMM-INIZCTEOSA-N 1 0 365.430 2.798 20 5 FFBDRO C[C@@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)N1CCC(C)CC1 ZINC000602523339 521394229 /nfs/dbraw/zinc/39/42/29/521394229.db2.gz BFMBXISJWDYMLS-INIZCTEOSA-N 1 0 361.490 2.669 20 5 FFBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1CC[NH2+]C12CCC2 ZINC000602534873 521398556 /nfs/dbraw/zinc/39/85/56/521398556.db2.gz USLIFDCGFTVIPD-ZDUSSCGKSA-N 1 0 355.847 2.741 20 5 FFBDRO [NH3+]C[C@H]1CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[C@H]1C(F)(F)F ZINC000602540615 521402927 /nfs/dbraw/zinc/40/29/27/521402927.db2.gz LNKAHLYVVVLFBY-DTWKUNHWSA-N 1 0 365.739 2.848 20 5 FFBDRO CC(=O)NC[C@H]1CCCCN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000599691509 521405910 /nfs/dbraw/zinc/40/59/10/521405910.db2.gz SDLYHODOMAJMHU-QGZVFWFLSA-N 1 0 358.398 2.740 20 5 FFBDRO Cc1noc(C)c1C[C@@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602552265 521407095 /nfs/dbraw/zinc/40/70/95/521407095.db2.gz MNMKTQAYKYKMFF-GFCCVEGCSA-N 1 0 359.430 2.784 20 5 FFBDRO O=[N+]([O-])c1sc(C[NH2+]CCCO[C@H]2CCOC2)cc1Br ZINC000602566493 521413640 /nfs/dbraw/zinc/41/36/40/521413640.db2.gz DONRXSZYRMTNAX-VIFPVBQESA-N 1 0 365.249 2.704 20 5 FFBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@H]2CCN(C3CC3)[C@H](c3ccccc3)C2)c1 ZINC000602571450 521417555 /nfs/dbraw/zinc/41/75/55/521417555.db2.gz ZWIWXBKNGSYINL-LPHOPBHVSA-N 1 0 355.442 2.749 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NCC[NH+]1CCC(OC)CC1 ZINC000619154473 521421483 /nfs/dbraw/zinc/42/14/83/521421483.db2.gz IJAFNBSAXWKEIN-UHFFFAOYSA-N 1 0 371.821 2.558 20 5 FFBDRO C[C@@H]1CN(C(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000602588229 521424757 /nfs/dbraw/zinc/42/47/57/521424757.db2.gz LXWGYGQPWUNFBN-JYYAWHABSA-N 1 0 374.485 2.744 20 5 FFBDRO C[C@H]1OCC[C@@]12C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)C[C@@H](C)O2 ZINC000619175817 521433642 /nfs/dbraw/zinc/43/36/42/521433642.db2.gz QAJGADKAROAKEV-IIDMSEBBSA-N 1 0 350.415 2.632 20 5 FFBDRO CN(CC(=O)N1CC[C@@H](C[NH3+])c2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000602622726 521441186 /nfs/dbraw/zinc/44/11/86/521441186.db2.gz LRYFCOLJHFBVJY-AWEZNQCLSA-N 1 0 354.410 2.510 20 5 FFBDRO CS(=O)(=O)c1ccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000602634866 521448997 /nfs/dbraw/zinc/44/89/97/521448997.db2.gz BQOFEYWMXZAQKR-UHFFFAOYSA-N 1 0 368.842 2.984 20 5 FFBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@@H]3CCN(c4ccccc4)C3)CC2)n1 ZINC000602641928 521453738 /nfs/dbraw/zinc/45/37/38/521453738.db2.gz VTLCRTHZKSPSSY-INIZCTEOSA-N 1 0 355.442 2.955 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@@H](CO)C3CCCCC3)CC2)cn1 ZINC000602676633 521474115 /nfs/dbraw/zinc/47/41/15/521474115.db2.gz QAMOSOIOKNUKDP-INIZCTEOSA-N 1 0 362.474 2.737 20 5 FFBDRO CC(C)(C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccccn1 ZINC000602675654 521475177 /nfs/dbraw/zinc/47/51/77/521475177.db2.gz VMBVWDPIGWQMPG-UHFFFAOYSA-N 1 0 355.442 2.921 20 5 FFBDRO C[C@@H](O)[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccccc1F ZINC000602697832 521483462 /nfs/dbraw/zinc/48/34/62/521483462.db2.gz IVYYXQFGYSJPFQ-YJYMSZOUSA-N 1 0 374.416 2.809 20 5 FFBDRO CO[C@@H](C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)[C@H]1CCOC1 ZINC000602705000 521487838 /nfs/dbraw/zinc/48/78/38/521487838.db2.gz JGWNORXICLPFSJ-KWQFWETISA-N 1 0 365.249 2.560 20 5 FFBDRO O=C(Nc1ccc([N+](=O)[O-])c2ccncc12)NC1CC[NH+](C2CC2)CC1 ZINC000599830517 521500041 /nfs/dbraw/zinc/50/00/41/521500041.db2.gz KLZGVWSBENGSMM-UHFFFAOYSA-N 1 0 355.398 2.891 20 5 FFBDRO Nc1c(NC(=O)N2CC[NH+](C3CCCC3)CC2)cc(Cl)cc1[N+](=O)[O-] ZINC000597094791 521500714 /nfs/dbraw/zinc/50/07/14/521500714.db2.gz RWZHZFDJXXRQQM-UHFFFAOYSA-N 1 0 367.837 2.923 20 5 FFBDRO Nc1c(NC(=O)NC2CC([NH+]3CCCCC3)C2)cc(Cl)cc1[N+](=O)[O-] ZINC000597095729 521500917 /nfs/dbraw/zinc/50/09/17/521500917.db2.gz GIEYLUFQDZIGDD-UHFFFAOYSA-N 1 0 367.837 2.969 20 5 FFBDRO COC(=O)c1cc(C2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)no1 ZINC000602743638 521510523 /nfs/dbraw/zinc/51/05/23/521510523.db2.gz WOQCBTCPIOMOMY-UHFFFAOYSA-N 1 0 359.382 2.792 20 5 FFBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+]CCC2CS(=O)(=O)C2)c2ccccc2)c1 ZINC000615761611 521524521 /nfs/dbraw/zinc/52/45/21/521524521.db2.gz VIFUXMIDBONXKR-SFHVURJKSA-N 1 0 360.435 2.709 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000602804954 521542707 /nfs/dbraw/zinc/54/27/07/521542707.db2.gz IFMAEPZTGSPVHA-ZDUSSCGKSA-N 1 0 357.414 2.577 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CCN1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000602828604 521557101 /nfs/dbraw/zinc/55/71/01/521557101.db2.gz HXDRXXVRNFRZOX-FQEVSTJZSA-N 1 0 369.469 2.698 20 5 FFBDRO O=C(N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1ccc([N+](=O)[O-])[nH]1 ZINC000612285760 521561359 /nfs/dbraw/zinc/56/13/59/521561359.db2.gz DKJIIUWXJVTFSL-BRWVUGGUSA-N 1 0 368.437 2.953 20 5 FFBDRO C[NH+](C)C[C@@H]1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000612291173 521563663 /nfs/dbraw/zinc/56/36/63/521563663.db2.gz YHMZFLOBRVLSBU-NSHDSACASA-N 1 0 357.863 2.750 20 5 FFBDRO CC1(C)Cc2n[nH]cc2CN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000597258032 521599895 /nfs/dbraw/zinc/59/98/95/521599895.db2.gz KEEKADXLGBRWHZ-UHFFFAOYSA-N 1 0 358.398 2.674 20 5 FFBDRO COc1ccccc1[C@@H](CNC(=O)c1cc([N+](=O)[O-])cn1C)[NH+]1CCCC1 ZINC000619525290 521753385 /nfs/dbraw/zinc/75/33/85/521753385.db2.gz ADDVQJYVKRVZKF-QGZVFWFLSA-N 1 0 372.425 2.509 20 5 FFBDRO Cc1c(NC(=O)N[C@@H]2CCC[N@@H+](C)C2)cc(Br)cc1[N+](=O)[O-] ZINC000619541082 521759297 /nfs/dbraw/zinc/75/92/97/521759297.db2.gz FEQICVJHIFCANR-LLVKDONJSA-N 1 0 371.235 2.881 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000619637819 521805967 /nfs/dbraw/zinc/80/59/67/521805967.db2.gz PPJSYUAIAWMCAL-LBPRGKRZSA-N 1 0 350.419 2.845 20 5 FFBDRO C[NH+]1CCC(N(C[C@H](O)CC(C)(C)C)C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000619872316 521913678 /nfs/dbraw/zinc/91/36/78/521913678.db2.gz RZINVKNZJKNZKG-CQSZACIVSA-N 1 0 367.446 2.521 20 5 FFBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000823634770 599450147 /nfs/dbraw/zinc/45/01/47/599450147.db2.gz LUXMQZRIYCGLHL-UHFFFAOYSA-N 1 0 352.398 2.887 20 5 FFBDRO CCCC[N@H+](C)CC1CCN(c2ccc([N+](=O)[O-])c(-c3nn[nH]n3)c2)CC1 ZINC000825282218 607451602 /nfs/dbraw/zinc/45/16/02/607451602.db2.gz RFLPLUYRHAYIFP-UHFFFAOYSA-N 1 0 373.461 2.723 20 5 FFBDRO COc1ccc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1-c1nn[nH]n1 ZINC000821805612 606484889 /nfs/dbraw/zinc/48/48/89/606484889.db2.gz VMGBJPSCSFXSCI-GFCCVEGCSA-N 1 0 368.397 2.943 20 5 FFBDRO CC(C)[N@H+]1[C@@H]2CCN(c3cc([N+](=O)[O-])ccn3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164837831 720509262 /nfs/dbraw/zinc/50/92/62/720509262.db2.gz PNZQHSILARIZJG-BPQIPLTHSA-N 1 0 370.457 2.564 20 5 FFBDRO CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1ccc2ccc3cccnc3c2n1 ZINC001164926760 721855237 /nfs/dbraw/zinc/85/52/37/721855237.db2.gz JFJNMFVORBXGNZ-RTBURBONSA-N 1 0 361.493 2.998 20 5 FFBDRO Cc1cc(S(=O)(=O)NCCC[N@H+]2CCCC[C@@H]2C)cc([N+](=O)[O-])c1F ZINC000154236886 728799373 /nfs/dbraw/zinc/79/93/73/728799373.db2.gz ASHPAAAQZVNIRZ-ZDUSSCGKSA-N 1 0 373.450 2.585 20 5 FFBDRO C[NH+]1CCC(CNC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000155106846 728820513 /nfs/dbraw/zinc/82/05/13/728820513.db2.gz KUAXAMOWCKOIAP-UHFFFAOYSA-N 1 0 371.235 2.821 20 5 FFBDRO Cn1cc([C@]2(C[NH2+]Cc3cc([N+](=O)[O-])ccc3Cl)CCCO2)cn1 ZINC000898057377 735308283 /nfs/dbraw/zinc/30/82/83/735308283.db2.gz DMWSZYUVKFKFIL-MRXNPFEDSA-N 1 0 350.806 2.777 20 5 FFBDRO O=C(NC1CC[NH+](C2CCOCC2)CC1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000898626559 735390802 /nfs/dbraw/zinc/39/08/02/735390802.db2.gz OAJGJCUWYTYKEU-UHFFFAOYSA-N 1 0 367.833 2.621 20 5 FFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CCc3ncc(Br)n3C2)c1 ZINC000898727487 735401093 /nfs/dbraw/zinc/40/10/93/735401093.db2.gz XRJLFIFMHDPSFG-NSHDSACASA-N 1 0 351.204 2.658 20 5 FFBDRO CC1(C)CC(NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC(C)(C)[NH2+]1 ZINC000746231806 735471488 /nfs/dbraw/zinc/47/14/88/735471488.db2.gz PSWPHNRCLOSFLF-UHFFFAOYSA-N 1 0 353.394 2.538 20 5 FFBDRO CC[N@@H+]1CCC[C@@H]1CNC(=S)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000746535445 735491884 /nfs/dbraw/zinc/49/18/84/735491884.db2.gz ZNMSWOAIUWDJOS-MRXNPFEDSA-N 1 0 362.499 2.918 20 5 FFBDRO Cc1c(Br)c(=O)n(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000899630213 735534463 /nfs/dbraw/zinc/53/44/63/735534463.db2.gz PXEQSMAUBSLRTG-YOGCLGLASA-N 1 0 370.247 2.748 20 5 FFBDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000236831047 729555814 /nfs/dbraw/zinc/55/58/14/729555814.db2.gz KZHDESJWSPFSET-CQSZACIVSA-N 1 0 372.263 2.732 20 5 FFBDRO C[C@@H]1C[N@@H+](C[C@H]2CCCN2Cc2cc(F)ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000249830689 729621759 /nfs/dbraw/zinc/62/17/59/729621759.db2.gz TWZNDYJOLZGYOG-JKIFEVAISA-N 1 0 351.422 2.808 20 5 FFBDRO CC1([NH+]2CCOCC2)CCN(Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000859776021 730465758 /nfs/dbraw/zinc/46/57/58/730465758.db2.gz AUPFGBUXSRJQRX-UHFFFAOYSA-N 1 0 353.850 2.935 20 5 FFBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000859901235 730468843 /nfs/dbraw/zinc/46/88/43/730468843.db2.gz JPTCFXOKEKWXAP-GHMZBOCLSA-N 1 0 370.247 2.960 20 5 FFBDRO CO[C@@H]1C[N@H+](C)[C@@](C)(COC(=O)c2ccc(SC)c([N+](=O)[O-])c2)C1 ZINC000861340485 730601000 /nfs/dbraw/zinc/60/10/00/730601000.db2.gz HYSXHYBICRLLNI-BLLLJJGKSA-N 1 0 354.428 2.583 20 5 FFBDRO CO[C@H]1C[N@H+](C)[C@@](C)(COC(=O)c2cc(SC)ccc2[N+](=O)[O-])C1 ZINC000861343844 730601251 /nfs/dbraw/zinc/60/12/51/730601251.db2.gz LODGZZVCIABZGK-BDJLRTHQSA-N 1 0 354.428 2.583 20 5 FFBDRO CCOC(=O)C1=CC[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000862487850 730704628 /nfs/dbraw/zinc/70/46/28/730704628.db2.gz WPANNPHOJVVVCW-GFCCVEGCSA-N 1 0 356.325 2.938 20 5 FFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC(C)(C)C1(O)CCOCC1 ZINC000866377202 731053301 /nfs/dbraw/zinc/05/33/01/731053301.db2.gz TZERDPBOYRLKJN-CYBMUJFWSA-N 1 0 354.422 2.822 20 5 FFBDRO C[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CC[NH2+]CC1 ZINC000868010023 731250917 /nfs/dbraw/zinc/25/09/17/731250917.db2.gz MDUVLSVEPUPJKX-NSHDSACASA-N 1 0 360.439 2.836 20 5 FFBDRO [NH3+]Cc1nc2c(s1)CCN([C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)C2 ZINC000925746958 738526458 /nfs/dbraw/zinc/52/64/58/738526458.db2.gz DQAUWOOMXZNSCD-MRXNPFEDSA-N 1 0 358.467 2.889 20 5 FFBDRO CCCS(=O)(=O)N1CCC([NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000872022858 731721331 /nfs/dbraw/zinc/72/13/31/731721331.db2.gz MASRTRKRFRCUBN-LBPRGKRZSA-N 1 0 373.450 2.589 20 5 FFBDRO C[C@@H]([NH2+]C[C@]1(N2CCOCC2)CCSC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872028103 731722252 /nfs/dbraw/zinc/72/22/52/731722252.db2.gz PFQINWDTSPBYNN-CXAGYDPISA-N 1 0 369.462 2.592 20 5 FFBDRO C[C@@H](NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872037251 731722965 /nfs/dbraw/zinc/72/29/65/731722965.db2.gz CRJNCTXNEGFRER-KGLIPLIRSA-N 1 0 351.422 2.885 20 5 FFBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC1CCS(=O)(=O)CC1 ZINC000872053026 731724357 /nfs/dbraw/zinc/72/43/57/731724357.db2.gz VZWCIKZZHADSCC-LLVKDONJSA-N 1 0 358.485 2.792 20 5 FFBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC1(OCCO)CCOCC1 ZINC000872070661 731726411 /nfs/dbraw/zinc/72/64/11/731726411.db2.gz WAZRJBYDIKAGNX-CYBMUJFWSA-N 1 0 370.471 2.525 20 5 FFBDRO Cc1c(C[NH2+]CC2(OCCO)CCC(F)(F)CC2)cccc1[N+](=O)[O-] ZINC000873143212 731880424 /nfs/dbraw/zinc/88/04/24/731880424.db2.gz YOSRBJORONZCLS-UHFFFAOYSA-N 1 0 358.385 2.950 20 5 FFBDRO C[NH2+]CCN(C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)C(C)C ZINC000926118158 738570199 /nfs/dbraw/zinc/57/01/99/738570199.db2.gz WQHPUPGHDVGECA-UHFFFAOYSA-N 1 0 359.224 2.819 20 5 FFBDRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000874825290 732104000 /nfs/dbraw/zinc/10/40/00/732104000.db2.gz ITZLMAKJJMOMKW-ZIAGYGMSSA-N 1 0 357.332 2.922 20 5 FFBDRO [NH3+]C[C@H]1CN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CC[C@@H]1C(F)(F)F ZINC000877016812 732312679 /nfs/dbraw/zinc/31/26/79/732312679.db2.gz ICNQMMUQTUUFFH-WPRPVWTQSA-N 1 0 365.739 2.848 20 5 FFBDRO O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877282594 732340234 /nfs/dbraw/zinc/34/02/34/732340234.db2.gz RVUHWQOURBOLMU-ZFWWWQNUSA-N 1 0 358.423 2.685 20 5 FFBDRO Cn1c(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)nc2cc(Cl)ccc21 ZINC000877430321 732360841 /nfs/dbraw/zinc/36/08/41/732360841.db2.gz GIKIHVHKAHAARI-UHFFFAOYSA-N 1 0 360.805 2.825 20 5 FFBDRO O=[N+]([O-])c1sc(C[NH2+][C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)cc1Br ZINC000877682702 732413030 /nfs/dbraw/zinc/41/30/30/732413030.db2.gz PGBZRUWCWJLYMH-AYPAVAEKSA-N 1 0 359.245 2.932 20 5 FFBDRO C[N@@H+]1CC[C@@H]2CN(Cc3cc(Br)c([N+](=O)[O-])s3)CC[C@@H]21 ZINC000877741010 732421455 /nfs/dbraw/zinc/42/14/55/732421455.db2.gz MAAWBRCYEAPWDU-SKDRFNHKSA-N 1 0 360.277 2.945 20 5 FFBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2C[C@H]3CC[C@@H](C2)S3(=O)=O)cc1Cl ZINC000877808681 732437776 /nfs/dbraw/zinc/43/77/76/732437776.db2.gz RRCZMGRWJPPZIQ-YHWZYXNKSA-N 1 0 358.847 2.694 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000877831291 732443640 /nfs/dbraw/zinc/44/36/40/732443640.db2.gz RRBTUICLUFRAPR-AYRXBEOTSA-N 1 0 362.348 2.700 20 5 FFBDRO C[C@@H]1CN(Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C[C@H](C)[N@H+]1C ZINC000878653785 732572672 /nfs/dbraw/zinc/57/26/72/732572672.db2.gz HPNLAXMWYCLMSR-PHIMTYICSA-N 1 0 365.821 2.823 20 5 FFBDRO CC[N@H+]1[C@H](C)CN([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C[C@@H]1C ZINC000878836096 732602671 /nfs/dbraw/zinc/60/26/71/732602671.db2.gz HUCWATGRXBZBDR-XQQFMLRXSA-N 1 0 368.865 2.990 20 5 FFBDRO Cc1csc([C@@H]2CC[N@H+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000880005888 732817375 /nfs/dbraw/zinc/81/73/75/732817375.db2.gz DSSVFENLICQCFG-HIFRSBDPSA-N 1 0 363.439 2.589 20 5 FFBDRO C[NH+](C)CCCCC(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000881863929 733122514 /nfs/dbraw/zinc/12/25/14/733122514.db2.gz IZYQSUCWDALMSO-UHFFFAOYSA-N 1 0 358.236 2.705 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)S3(=O)=O)CCC2 ZINC000927038577 738684360 /nfs/dbraw/zinc/68/43/60/738684360.db2.gz KGTQHUGRSGVAEB-WNLZPSQYSA-N 1 0 350.440 2.670 20 5 FFBDRO O=C(CC[NH2+]C1(CCO)CCCCC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000782516426 738729558 /nfs/dbraw/zinc/72/95/58/738729558.db2.gz RWNVBAQYYFOLGN-UHFFFAOYSA-N 1 0 353.394 2.737 20 5 FFBDRO O=C(CC[N@@H+]1CCC[C@@H](OC(F)F)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000782531107 738731157 /nfs/dbraw/zinc/73/11/57/738731157.db2.gz OEKKESDSTAGOHK-LLVKDONJSA-N 1 0 361.320 2.766 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(F)c(C(=O)NCc2cc(N(C)C)cc[nH+]2)c1F ZINC000927696912 738771427 /nfs/dbraw/zinc/77/14/27/738771427.db2.gz CNDRXKVZZJXXIL-UHFFFAOYSA-N 1 0 350.325 2.572 20 5 FFBDRO C[NH+]1CCC2(CCN2C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000889224427 734154049 /nfs/dbraw/zinc/15/40/49/734154049.db2.gz ITGJELYGHCOUBP-UHFFFAOYSA-N 1 0 357.332 2.924 20 5 FFBDRO CC(C)(C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000928095255 738821521 /nfs/dbraw/zinc/82/15/21/738821521.db2.gz NRZXRWZAGSHEPF-HOTGVXAUSA-N 1 0 363.483 2.568 20 5 FFBDRO C[C@]1(NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)C[NH+]2CCC1CC2 ZINC000892798712 734605606 /nfs/dbraw/zinc/60/56/06/734605606.db2.gz IBSDNXFKOWPBDW-HNNXBMFYSA-N 1 0 368.231 2.571 20 5 FFBDRO CN(C(=O)c1ccc(Br)c([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000732034218 734712918 /nfs/dbraw/zinc/71/29/18/734712918.db2.gz DHVMNLBEBGIRAY-GFCCVEGCSA-N 1 0 368.231 2.666 20 5 FFBDRO CC[S@@](=O)CC[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000733900124 734857769 /nfs/dbraw/zinc/85/77/69/734857769.db2.gz IISOZENGCIFRQQ-XMMPIXPASA-N 1 0 352.412 2.722 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]Cc3cnc(Cl)s3)CC2)cn1 ZINC000895151900 734969060 /nfs/dbraw/zinc/96/90/60/734969060.db2.gz MTHTWGRDQSWMFW-UHFFFAOYSA-N 1 0 353.835 2.858 20 5 FFBDRO CC[NH+](CC)CC1CCN(Cn2cc(Br)c([N+](=O)[O-])n2)CC1 ZINC000738070049 735020390 /nfs/dbraw/zinc/02/03/90/735020390.db2.gz AEKZNDOSWFIJLW-UHFFFAOYSA-N 1 0 374.283 2.565 20 5 FFBDRO COc1cc(NC[C@H]2CC[N@@H+]2C2CCOCC2)c(Cl)cc1[N+](=O)[O-] ZINC000896525772 735173006 /nfs/dbraw/zinc/17/30/06/735173006.db2.gz OPADDPHGEDTZQT-GFCCVEGCSA-N 1 0 355.822 2.922 20 5 FFBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]C[C@H]3CCCN3CC(F)(F)F)nc2c1 ZINC000896838082 735185384 /nfs/dbraw/zinc/18/53/84/735185384.db2.gz BFHMHDPBHFNZGK-LLVKDONJSA-N 1 0 358.320 2.852 20 5 FFBDRO CC[C@](C)([NH3+])c1cn(Cc2c(Br)cccc2[N+](=O)[O-])nn1 ZINC000900640742 735672830 /nfs/dbraw/zinc/67/28/30/735672830.db2.gz AWCDDNZYHALELW-ZDUSSCGKSA-N 1 0 354.208 2.581 20 5 FFBDRO CCC[C@@H]([NH3+])c1cn(Cc2c(Br)cccc2[N+](=O)[O-])nn1 ZINC000900641168 735673457 /nfs/dbraw/zinc/67/34/57/735673457.db2.gz MMQSPPKBHSEQKP-LLVKDONJSA-N 1 0 354.208 2.797 20 5 FFBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C1 ZINC000901135550 735748005 /nfs/dbraw/zinc/74/80/05/735748005.db2.gz ODPGEFWEANLYOW-ZWNOBZJWSA-N 1 0 355.797 2.944 20 5 FFBDRO Cc1nn(C[N@@H+]2CC[C@H](Cc3nccs3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000902648685 735975701 /nfs/dbraw/zinc/97/57/01/735975701.db2.gz BVSJYTSSDUTNSL-GFCCVEGCSA-N 1 0 358.427 2.627 20 5 FFBDRO Cc1nn(C[N@@H+]2CC[C@@H](Cc3nccs3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000902648686 735975842 /nfs/dbraw/zinc/97/58/42/735975842.db2.gz BVSJYTSSDUTNSL-LBPRGKRZSA-N 1 0 358.427 2.627 20 5 FFBDRO COc1cc([C@H](C)[NH2+][C@H]2CCOC3(CCOCC3)C2)cc([N+](=O)[O-])c1 ZINC000903125707 736037123 /nfs/dbraw/zinc/03/71/23/736037123.db2.gz NVRDKVYGKWCROD-ZFWWWQNUSA-N 1 0 350.415 2.982 20 5 FFBDRO O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@H]2C[NH2+]CCC2(F)F)c1 ZINC000903955411 736194996 /nfs/dbraw/zinc/19/49/96/736194996.db2.gz RDWGCZRYYUFDLN-SNVBAGLBSA-N 1 0 351.300 2.531 20 5 FFBDRO C[C@H](CNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)C[NH+]1CCCC1 ZINC000756950127 736376402 /nfs/dbraw/zinc/37/64/02/736376402.db2.gz CJEJKPHCFXWWBK-GFCCVEGCSA-N 1 0 354.838 2.779 20 5 FFBDRO C[NH+](C)CC[C@@H](NC(=S)Nc1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC000905662063 736379023 /nfs/dbraw/zinc/37/90/23/736379023.db2.gz XWKDCBANXOIPMT-MRXNPFEDSA-N 1 0 359.455 2.969 20 5 FFBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CC[C@H](C(F)(F)F)C1 ZINC000761042773 736689663 /nfs/dbraw/zinc/68/96/63/736689663.db2.gz RPYFRXWPBJGYSP-JTQLQIEISA-N 1 0 359.304 2.777 20 5 FFBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)CCc3ccc([N+](=O)[O-])cc3Cl)CC[C@H]21 ZINC000913759904 737443856 /nfs/dbraw/zinc/44/38/56/737443856.db2.gz BXRJIGPGHPFKGE-CZUORRHYSA-N 1 0 351.834 2.733 20 5 FFBDRO CN(CC[N@H+](C)CCOc1cccc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000768760949 737455565 /nfs/dbraw/zinc/45/55/65/737455565.db2.gz UECPELBXPOQFGJ-UHFFFAOYSA-N 1 0 353.419 2.772 20 5 FFBDRO CN(CCc1ccc(F)cc1)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000919947612 737884038 /nfs/dbraw/zinc/88/40/38/737884038.db2.gz DNNYKOSHYGTMGH-UHFFFAOYSA-N 1 0 357.183 2.825 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])c(N2C[C@@H](SC)[C@H]([NH+](C)C)C2)cc1Cl ZINC000774535647 737998676 /nfs/dbraw/zinc/99/86/76/737998676.db2.gz CIGSMOVLBRHYMH-ZIAGYGMSSA-N 1 0 373.862 2.517 20 5 FFBDRO CS[C@H]1CN(c2ccc([N+](=O)[O-])cc2Br)C[C@@H]1[NH+](C)C ZINC000774536944 737998774 /nfs/dbraw/zinc/99/87/74/737998774.db2.gz QEYNGOKEOORYJO-STQMWFEESA-N 1 0 360.277 2.839 20 5 FFBDRO COC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000775816443 738128870 /nfs/dbraw/zinc/12/88/70/738128870.db2.gz UWMPAXNZBURDLE-TZMCWYRMSA-N 1 0 351.403 2.560 20 5 FFBDRO COc1cc(C[NH2+]C[C@H]2CC[C@@H](C(F)(F)F)O2)c([N+](=O)[O-])cc1OC ZINC000922461235 738148992 /nfs/dbraw/zinc/14/89/92/738148992.db2.gz KJMSYBJWUBWGSK-YGRLFVJLSA-N 1 0 364.320 2.812 20 5 FFBDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000923274480 738264766 /nfs/dbraw/zinc/26/47/66/738264766.db2.gz LIDSPGLUJKBAKM-NWDGAFQWSA-N 1 0 355.341 2.505 20 5 FFBDRO C[NH+](C)C1(CNC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CCCCC1 ZINC000778226348 738365122 /nfs/dbraw/zinc/36/51/22/738365122.db2.gz QBLQGJRPNMCMOS-UHFFFAOYSA-N 1 0 363.443 2.594 20 5 FFBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000929445222 738986265 /nfs/dbraw/zinc/98/62/65/738986265.db2.gz CKIAASUZRFCJOL-UHFFFAOYSA-N 1 0 358.423 2.674 20 5 FFBDRO COC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Br)C1CCOCC1 ZINC000930923909 739186207 /nfs/dbraw/zinc/18/62/07/739186207.db2.gz LHNFTYKGKJRPJN-OAHLLOKOSA-N 1 0 373.247 2.889 20 5 FFBDRO C[NH+](C)CCn1cc(NC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])cn1 ZINC000931347443 739249280 /nfs/dbraw/zinc/24/92/80/739249280.db2.gz STAKEGIBPQRGGE-UHFFFAOYSA-N 1 0 365.821 2.578 20 5 FFBDRO C[C@@H](O)CCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000789318619 739336848 /nfs/dbraw/zinc/33/68/48/739336848.db2.gz IONRVCJAIMRIHS-GFCCVEGCSA-N 1 0 361.364 2.897 20 5 FFBDRO C[C@]1([C@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C2)COC(=O)N1 ZINC000932020607 739374802 /nfs/dbraw/zinc/37/48/02/739374802.db2.gz IJRGEPFFXPYHCJ-BLLLJJGKSA-N 1 0 353.806 2.959 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000790272485 739431485 /nfs/dbraw/zinc/43/14/85/739431485.db2.gz PYUVORXITZBQQA-GFCCVEGCSA-N 1 0 367.833 2.957 20 5 FFBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000790667755 739483644 /nfs/dbraw/zinc/48/36/44/739483644.db2.gz FNEYGTCMFVZDJJ-LBPRGKRZSA-N 1 0 355.797 2.530 20 5 FFBDRO C[C@@](CO)(Cc1ccc(Cl)cc1)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000933443057 739627152 /nfs/dbraw/zinc/62/71/52/739627152.db2.gz POIXTDSZOBITJX-MSOLQXFVSA-N 1 0 364.829 2.865 20 5 FFBDRO Cn1cc([C@H]2CSCCC[N@@H+]2CCOc2ccc([N+](=O)[O-])cc2)cn1 ZINC000933980295 739714825 /nfs/dbraw/zinc/71/48/25/739714825.db2.gz DUAZNKAZYXJXSF-QGZVFWFLSA-N 1 0 362.455 2.887 20 5 FFBDRO CC[N@@H+]1CCC[C@H]1CNC(=S)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000793309813 739765325 /nfs/dbraw/zinc/76/53/25/739765325.db2.gz RQAWTTOZGGFINA-ZDUSSCGKSA-N 1 0 350.488 2.778 20 5 FFBDRO O=C(C[NH2+][C@H]1CCOC12CCCC2)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000934392913 739780524 /nfs/dbraw/zinc/78/05/24/739780524.db2.gz RFRUADQCSGJHOJ-AWEZNQCLSA-N 1 0 353.806 2.878 20 5 FFBDRO Cc1c(CO)cc([N+](=O)[O-])c(NCCC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000796458116 740144835 /nfs/dbraw/zinc/14/48/35/740144835.db2.gz HYHWSXIGQVQANN-UHFFFAOYSA-N 1 0 352.391 2.592 20 5 FFBDRO Cc1cccc(Cl)c1C[NH2+]C1(C)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000940107334 740147004 /nfs/dbraw/zinc/14/70/04/740147004.db2.gz IYZRXAZVOXIFFO-CZUORRHYSA-N 1 0 365.861 2.784 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@@H]2Cc3ccc(Cl)cc3C2)c1 ZINC000800399636 740519322 /nfs/dbraw/zinc/51/93/22/740519322.db2.gz DDDMPRSCWDIGIF-WBVHZDCISA-N 1 0 362.813 2.745 20 5 FFBDRO CC(C)OC[C@@H](CO)[N@H+](C)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000801551590 740629762 /nfs/dbraw/zinc/62/97/62/740629762.db2.gz OVNZKMYTYHMACL-GFCCVEGCSA-N 1 0 361.236 2.575 20 5 FFBDRO C[NH+](C)C[C@H](NC(=O)c1ccc(N)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000802375159 740699354 /nfs/dbraw/zinc/69/93/54/740699354.db2.gz HAYNWFKGODGYQL-HNNXBMFYSA-N 1 0 362.817 2.863 20 5 FFBDRO C[C@@H](O)C[N@@H+]1CCN(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])[C@H](C)C1 ZINC000809982020 741369390 /nfs/dbraw/zinc/36/93/90/741369390.db2.gz FOBHJCXRQWGUNY-GHMZBOCLSA-N 1 0 362.257 2.789 20 5 FFBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@H](C2CC2)C2(CO)CCOCC2)c1 ZINC000816657406 742051467 /nfs/dbraw/zinc/05/14/67/742051467.db2.gz RBAVXSCWBGQXQF-MRXNPFEDSA-N 1 0 354.834 2.906 20 5 FFBDRO [NH3+]C[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)C1CCCC1 ZINC000818001974 742228441 /nfs/dbraw/zinc/22/84/41/742228441.db2.gz RRLWKCADTUMWRA-NSHDSACASA-N 1 0 374.210 2.744 20 5 FFBDRO CN(C[C@H](O)C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)OC(C)(C)C ZINC000819150797 742343907 /nfs/dbraw/zinc/34/39/07/742343907.db2.gz RZEOALPYQGCTFV-CYBMUJFWSA-N 1 0 373.837 2.566 20 5 FFBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H](O)c2ccc(F)cn2)cc(C(F)(F)F)c1 ZINC000819269241 742365298 /nfs/dbraw/zinc/36/52/98/742365298.db2.gz FXAQMRMYUQWCQV-AWEZNQCLSA-N 1 0 359.279 2.971 20 5 FFBDRO O=[N+]([O-])c1ccc(C[N@H+](CCn2cnc(Br)n2)C2CC2)cc1 ZINC000821402487 742622029 /nfs/dbraw/zinc/62/20/29/742622029.db2.gz UNVZECUDFSXXKT-UHFFFAOYSA-N 1 0 366.219 2.613 20 5 FFBDRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000823253872 742865428 /nfs/dbraw/zinc/86/54/28/742865428.db2.gz QBUXJQMFZPXRJO-LBPRGKRZSA-N 1 0 371.869 2.642 20 5 FFBDRO O=C(Nc1cccc([N+](=O)[O-])c1Cl)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000823254043 742865543 /nfs/dbraw/zinc/86/55/43/742865543.db2.gz RFRYJPHSWFDFIY-LBPRGKRZSA-N 1 0 368.821 2.623 20 5 FFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2CCC[C@@H](C1)N2Cc1cccc(Cl)c1 ZINC001039583531 742993007 /nfs/dbraw/zinc/99/30/07/742993007.db2.gz QKZRCKYPWLSVJR-YYIAUSFCSA-N 1 0 363.845 2.571 20 5 FFBDRO COCCOC1(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CCOCC1 ZINC000824591529 743113173 /nfs/dbraw/zinc/11/31/73/743113173.db2.gz WMAHCNYEACVCFL-UHFFFAOYSA-N 1 0 358.822 2.550 20 5 FFBDRO Cc1cc(Cl)c(C(=O)N2CCC(OCC[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000825823577 743331721 /nfs/dbraw/zinc/33/17/21/743331721.db2.gz XRJUOKBKYWKOQV-UHFFFAOYSA-N 1 0 369.849 2.739 20 5 FFBDRO C[N@@H+]1CC[C@H]2CN(C(=O)c3c(Br)cccc3[N+](=O)[O-])CC[C@H]21 ZINC000827216705 743535429 /nfs/dbraw/zinc/53/54/29/743535429.db2.gz CNUKZOBDCKAFTH-CMPLNLGQSA-N 1 0 368.231 2.524 20 5 FFBDRO C[N@@H+]1CC[C@H]2CN(C(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC[C@H]21 ZINC000827308978 743552777 /nfs/dbraw/zinc/55/27/77/743552777.db2.gz DTXHRFONAXZOLO-GXFFZTMASA-N 1 0 357.332 2.780 20 5 FFBDRO O=C(CC[N@@H+]1CCOC[C@H]1C1CCC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000830219135 745325448 /nfs/dbraw/zinc/32/54/48/745325448.db2.gz HVXQPZBGKSZOSF-INIZCTEOSA-N 1 0 351.378 2.563 20 5 FFBDRO O=C(CC[N@@H+]1CCSC[C@@H]1C1CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000831778966 745582848 /nfs/dbraw/zinc/58/28/48/745582848.db2.gz ZCPDJCXELDNXPB-OAHLLOKOSA-N 1 0 353.419 2.890 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(F)c(C(=O)NC2CC([NH+]3CCCCC3)C2)c1F ZINC000834843653 745912808 /nfs/dbraw/zinc/91/28/08/745912808.db2.gz JFUGCMZVJFCWPV-UHFFFAOYSA-N 1 0 353.369 2.928 20 5 FFBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1cc(Cl)c(C)cc1[N+](=O)[O-] ZINC000836754149 746297375 /nfs/dbraw/zinc/29/73/75/746297375.db2.gz XPXIGKMWEAXZAW-GFCCVEGCSA-N 1 0 357.838 2.643 20 5 FFBDRO CC(C)(C)OC(=O)[C@@]1(C)CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000839105069 746775758 /nfs/dbraw/zinc/77/57/58/746775758.db2.gz OEICIYCKWSHDSF-YJBOKZPZSA-N 1 0 350.415 2.682 20 5 FFBDRO CC[N@@H+]1C[C@@H](C)N(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1C ZINC000839532338 746848683 /nfs/dbraw/zinc/84/86/83/746848683.db2.gz WQEYIRSHFRGJFY-VXGBXAGGSA-N 1 0 354.838 2.601 20 5 FFBDRO C[C@H]([NH2+]CC(C)(C)[C@H]1COCC12OCCO2)c1ccc([N+](=O)[O-])cc1 ZINC000840803554 747187903 /nfs/dbraw/zinc/18/79/03/747187903.db2.gz RLGMYKWCCNUJGP-XJKSGUPXSA-N 1 0 350.415 2.661 20 5 FFBDRO [NH3+][C@@H]1CCO[C@@H](C2CCN(Cc3cc([N+](=O)[O-])ccc3Cl)CC2)C1 ZINC000841103849 747270314 /nfs/dbraw/zinc/27/03/14/747270314.db2.gz KXLXPKNBUSFDJK-RHSMWYFYSA-N 1 0 353.850 2.967 20 5 FFBDRO C[C@](C[NH3+])(NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)C1CC1 ZINC000841161581 747284458 /nfs/dbraw/zinc/28/44/58/747284458.db2.gz NKLGDBGIDPQJLF-CYBMUJFWSA-N 1 0 357.208 2.606 20 5 FFBDRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000843480928 747842536 /nfs/dbraw/zinc/84/25/36/747842536.db2.gz ZCYRNPMKWWRZNY-RBDZCENOSA-N 1 0 374.210 2.613 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)O[C@@H](C)C[NH+]2CCCC2)cc1SC ZINC000845668882 748301224 /nfs/dbraw/zinc/30/12/24/748301224.db2.gz OUWDNECLNYADTP-NSHDSACASA-N 1 0 354.428 2.966 20 5 FFBDRO CC[C@@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000850519785 749380563 /nfs/dbraw/zinc/38/05/63/749380563.db2.gz QIMSINYQPVSRJI-GFCCVEGCSA-N 1 0 354.350 2.613 20 5 FFBDRO CC1(C)OC[C@H](CC[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)O1 ZINC000851791212 749677206 /nfs/dbraw/zinc/67/72/06/749677206.db2.gz VAGZCPOEIUYKIX-KRWDZBQOSA-N 1 0 350.415 2.980 20 5 FFBDRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000854184781 750258309 /nfs/dbraw/zinc/25/83/09/750258309.db2.gz IGTFXXVHAMZCOQ-LBPRGKRZSA-N 1 0 371.869 2.642 20 5 FFBDRO CSC1(CNC(=O)c2c(F)c(C)cc([N+](=O)[O-])c2F)CC[NH+](C)CC1 ZINC000854523833 750324860 /nfs/dbraw/zinc/32/48/60/750324860.db2.gz ZMZSSYCESUJOEJ-UHFFFAOYSA-N 1 0 373.425 2.739 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cn2)c1C ZINC000895747608 970910501 /nfs/dbraw/zinc/91/05/01/970910501.db2.gz RUDHPTKSAVQOGU-UHFFFAOYSA-N 1 0 369.425 2.611 20 5 FFBDRO COc1cc(C[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2)ccc1[N+](=O)[O-] ZINC000826179229 947552926 /nfs/dbraw/zinc/55/29/26/947552926.db2.gz FJSXTSVUUIQAIZ-LLVKDONJSA-N 1 0 354.370 2.634 20 5 FFBDRO O=C1COc2cc([N+](=O)[O-])c(N[C@H]3CC[N@H+](Cc4ccccc4)C3)cc2N1 ZINC000312812354 972007211 /nfs/dbraw/zinc/00/72/11/972007211.db2.gz RRMQAFKVCJJYTI-AWEZNQCLSA-N 1 0 368.393 2.612 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H](CO)c2cccc(C(F)(F)F)c2)cc1 ZINC000872216715 1013182939 /nfs/dbraw/zinc/18/29/39/1013182939.db2.gz BRBBSCRWMVPCGP-HOTGVXAUSA-N 1 0 370.327 2.970 20 5 FFBDRO O=[N+]([O-])c1cc2c(Cl)ncnc2c(-n2ccnc2[C@H]2CCC[NH2+]C2)c1 ZINC001167059933 959244931 /nfs/dbraw/zinc/24/49/31/959244931.db2.gz LCYDQMOARAPLBR-JTQLQIEISA-N 1 0 358.789 2.844 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@H](OC3CCC3)CC2)c1 ZINC000872274722 1013195719 /nfs/dbraw/zinc/19/57/19/1013195719.db2.gz APKZNZULFQRJTK-AEFFLSMTSA-N 1 0 364.442 2.758 20 5 FFBDRO C[NH+](C)C[C@H]1COC2(CCCC2)CN1Cc1ccc(F)cc1[N+](=O)[O-] ZINC001174641191 1013264149 /nfs/dbraw/zinc/26/41/49/1013264149.db2.gz FFVZASYUMBNNFI-INIZCTEOSA-N 1 0 351.422 2.809 20 5 FFBDRO O=[N+]([O-])c1ccccc1OCCN1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccc1 ZINC001174994053 1013358910 /nfs/dbraw/zinc/35/89/10/1013358910.db2.gz PWBHLFUWQNGKSA-ROUUACIJSA-N 1 0 353.422 2.932 20 5 FFBDRO COc1ccc(Cn2cc(CNCc3cccc([N+](=O)[O-])c3C)nn2)cc1 ZINC000873113782 1013389008 /nfs/dbraw/zinc/38/90/08/1013389008.db2.gz KOERZVSLVVFESD-UHFFFAOYSA-N 1 0 367.409 2.841 20 5 FFBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N[C@@H]1CCCCC12CC[NH2+]CC2 ZINC000891608707 964576858 /nfs/dbraw/zinc/57/68/58/964576858.db2.gz XNSCQYKYGBXRLM-QGZVFWFLSA-N 1 0 360.458 2.749 20 5 FFBDRO Cc1c([N+](=O)[O-])cc(C(=O)NC2CC[NH+](CC(C)C)CC2)cc1[N+](=O)[O-] ZINC000127648769 966498282 /nfs/dbraw/zinc/49/82/82/966498282.db2.gz AVLKZDOVPTVEDN-UHFFFAOYSA-N 1 0 364.402 2.662 20 5 FFBDRO O=[N+]([O-])c1ncccc1CN1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001176262225 1013672644 /nfs/dbraw/zinc/67/26/44/1013672644.db2.gz IKUIOSLVRVNCSI-MJGOQNOKSA-N 1 0 352.438 2.944 20 5 FFBDRO CC[C@]1(C(=O)OC(C)(C)C)CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC001176676129 1013750390 /nfs/dbraw/zinc/75/03/90/1013750390.db2.gz UPUVUHKAKZKTEN-KRWDZBQOSA-N 1 0 352.435 2.625 20 5 FFBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000895265175 968862962 /nfs/dbraw/zinc/86/29/62/968862962.db2.gz KEIYAWPYXAFKJX-LBPRGKRZSA-N 1 0 358.373 2.788 20 5 FFBDRO COc1cc(C(=O)N2CCN(c3cc[nH+]cc3)C[C@H]2C)cc([N+](=O)[O-])c1C ZINC000895267116 968873258 /nfs/dbraw/zinc/87/32/58/968873258.db2.gz FNAHXKIHCZKIGX-CYBMUJFWSA-N 1 0 370.409 2.658 20 5 FFBDRO CCOc1ccc(C(=O)N2CCN(c3cc[nH+]cc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000895280021 968949410 /nfs/dbraw/zinc/94/94/10/968949410.db2.gz YZNUUYQBJFPXQA-CQSZACIVSA-N 1 0 370.409 2.739 20 5 FFBDRO Cc1ccc(CNC(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000892537465 969404905 /nfs/dbraw/zinc/40/49/05/969404905.db2.gz VLQQAUWAUGNIGZ-SJORKVTESA-N 1 0 360.458 2.824 20 5 FFBDRO CCC[N@H+](C)C[C@H]1CCN(c2ccc(CC(=O)OCC)cc2[N+](=O)[O-])C1 ZINC000825791133 1014026177 /nfs/dbraw/zinc/02/61/77/1014026177.db2.gz ZWAMYQMFRIPQDI-MRXNPFEDSA-N 1 0 363.458 2.869 20 5 FFBDRO COc1cc[nH+]c(N2CCN(C(=O)c3c(C)c(C)ccc3[N+](=O)[O-])CC2)c1 ZINC001125991931 972892181 /nfs/dbraw/zinc/89/21/81/972892181.db2.gz YTXZSSMSOZUWHC-UHFFFAOYSA-N 1 0 370.409 2.578 20 5 FFBDRO Cc1ccc(CNC(=O)N(CC[NH+](C)C)Cc2ccco2)cc1[N+](=O)[O-] ZINC000876171491 1014157164 /nfs/dbraw/zinc/15/71/64/1014157164.db2.gz MOIANWBLUNSRGM-UHFFFAOYSA-N 1 0 360.414 2.770 20 5 FFBDRO Cc1c([N+](=O)[O-])cc(C(=O)NCc2cccc(C[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000128231383 976255094 /nfs/dbraw/zinc/25/50/94/976255094.db2.gz BWKDIYNDXXJCLT-UHFFFAOYSA-N 1 0 372.381 2.803 20 5 FFBDRO C[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(-n2cncn2)cc1 ZINC000178565232 977350274 /nfs/dbraw/zinc/35/02/74/977350274.db2.gz MAARUHSQZPJPQT-ACJLOTCBSA-N 1 0 353.382 2.560 20 5 FFBDRO COc1ccccc1[C@H]1C[NH2+]CCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000261655409 977419576 /nfs/dbraw/zinc/41/95/76/977419576.db2.gz GNUKEBQFYSZULA-GOSISDBHSA-N 1 0 357.410 2.629 20 5 FFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@@H](O)c3ccc4ccccc4c3)C2)c1 ZINC000877008149 1014447473 /nfs/dbraw/zinc/44/74/73/1014447473.db2.gz LYLGZUBARXULQS-FAFZWHIHSA-N 1 0 352.394 2.971 20 5 FFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@H]3CCN(c4ccc(F)cc4F)C3)C2)c1 ZINC000877014308 1014449220 /nfs/dbraw/zinc/44/92/20/1014449220.db2.gz VQZTUVDBKKIHKE-HSBZDZAISA-N 1 0 363.368 2.642 20 5 FFBDRO C[N@@H+]1CCN(Cn2ncc3cc([N+](=O)[O-])ccc32)[C@H](c2ccccc2)C1 ZINC000047404708 978068550 /nfs/dbraw/zinc/06/85/50/978068550.db2.gz TTZZJJWGEOZQCU-IBGZPJMESA-N 1 0 351.410 2.891 20 5 FFBDRO COc1ccccc1OC[C@H](C)C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877121116 1014480133 /nfs/dbraw/zinc/48/01/33/1014480133.db2.gz YZDXWUQBRMVOJY-WLYUNCDWSA-N 1 0 360.414 2.808 20 5 FFBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)CC1 ZINC000877378128 1014566204 /nfs/dbraw/zinc/56/62/04/1014566204.db2.gz PBGSMMDNWSFIGH-MGPUTAFESA-N 1 0 372.469 2.513 20 5 FFBDRO CC/C=C\CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001105423346 979413197 /nfs/dbraw/zinc/41/31/97/979413197.db2.gz OYGBXXMYLCHMKS-MIRROOGISA-N 1 0 371.481 2.814 20 5 FFBDRO CCc1cccc(C[N@H+](C)CC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 ZINC001029964224 980152601 /nfs/dbraw/zinc/15/26/01/980152601.db2.gz AHGICPGQOZMPGA-RTBURBONSA-N 1 0 359.470 2.585 20 5 FFBDRO COc1cc(CNCC2([NH3+])CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000904451579 980279073 /nfs/dbraw/zinc/27/90/73/980279073.db2.gz ZTJFODMZUZZXFR-UHFFFAOYSA-N 1 0 357.410 2.763 20 5 FFBDRO COc1ccccc1CNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000905854447 980531805 /nfs/dbraw/zinc/53/18/05/980531805.db2.gz WKCWDSSVQWGKOD-KGLIPLIRSA-N 1 0 357.410 2.959 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N(C[C@H](C)[NH+](C)C)c1c(C)cccc1C ZINC000905935183 980543220 /nfs/dbraw/zinc/54/32/20/980543220.db2.gz YBJPPCRSJFOYDE-HNNXBMFYSA-N 1 0 373.457 2.700 20 5 FFBDRO O=C([C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000906637057 981107426 /nfs/dbraw/zinc/10/74/26/981107426.db2.gz XVLSOHZMIRMXND-BHIYHBOVSA-N 1 0 357.454 2.937 20 5 FFBDRO COc1cc(C[NH2+][C@@H]2CCN(C)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000729682644 981284599 /nfs/dbraw/zinc/28/45/99/981284599.db2.gz XMGAVQZKDDUZJF-QGZVFWFLSA-N 1 0 371.437 2.976 20 5 FFBDRO CN(C(=O)CC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 ZINC000179186763 981518022 /nfs/dbraw/zinc/51/80/22/981518022.db2.gz LQFQSKHLEHRUAU-UHFFFAOYSA-N 1 0 368.437 2.770 20 5 FFBDRO CC[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)[C@@H](C)C1 ZINC000910293605 981901545 /nfs/dbraw/zinc/90/15/45/981901545.db2.gz PJBDAGWMYFLULO-HNNXBMFYSA-N 1 0 360.458 2.751 20 5 FFBDRO CC(=Cc1cccc([N+](=O)[O-])c1)C[NH+]1CCC(CN2CCNC2=O)CC1 ZINC000897582700 982330746 /nfs/dbraw/zinc/33/07/46/982330746.db2.gz HHWXQQIWQGVJEW-RVDMUPIBSA-N 1 0 358.442 2.735 20 5 FFBDRO Cn1ccnc1[C@H](NCC[N@@H+]1CCC(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000898034994 982600008 /nfs/dbraw/zinc/60/00/08/982600008.db2.gz GADSGMXGXZWBFG-QGZVFWFLSA-N 1 0 357.458 2.739 20 5 FFBDRO CC[NH+](CC)C[C@H]1CCN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000878148514 1014882844 /nfs/dbraw/zinc/88/28/44/1014882844.db2.gz OJYIQHLLRFLOQM-CQSZACIVSA-N 1 0 359.430 2.809 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)[C@H](C)C1 ZINC000878259045 1014953460 /nfs/dbraw/zinc/95/34/60/1014953460.db2.gz XYNQIUFVOSGHPH-UKRRQHHQSA-N 1 0 359.430 2.807 20 5 FFBDRO C[N@@H+]1CCCC[C@@H]1CCOC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000763852948 983863254 /nfs/dbraw/zinc/86/32/54/983863254.db2.gz FYSCSXVCNQZCBW-CQSZACIVSA-N 1 0 358.398 2.812 20 5 FFBDRO CCC(CC)[C@H](CNc1nc2ccccn2c1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000029147588 984100343 /nfs/dbraw/zinc/10/03/43/984100343.db2.gz SSEXCBOSFVCETI-HNNXBMFYSA-N 1 0 361.446 2.791 20 5 FFBDRO C[NH+]1C[C@]2(C)CN(C(=O)c3ccc(OC(F)F)c([N+](=O)[O-])c3)C[C@@]2(C)C1 ZINC000913282209 984230329 /nfs/dbraw/zinc/23/03/29/984230329.db2.gz ZYYBTURIZAYNSC-IAGOWNOFSA-N 1 0 369.368 2.610 20 5 FFBDRO C[C@@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000138831544 984440046 /nfs/dbraw/zinc/44/00/46/984440046.db2.gz NYJMIMRMVKAMEF-UONOGXRCSA-N 1 0 367.450 2.559 20 5 FFBDRO CCOC(=O)CC1CC[NH+](Cn2nc(C)c3cc([N+](=O)[O-])ccc32)CC1 ZINC000764879911 984777065 /nfs/dbraw/zinc/77/70/65/984777065.db2.gz TWCZCZAXZAGEIW-UHFFFAOYSA-N 1 0 360.414 2.876 20 5 FFBDRO CCOC(=O)CC[N@H+](CC1CC1)Cn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000764924622 984817439 /nfs/dbraw/zinc/81/74/39/984817439.db2.gz KTFKODYYLFTSRQ-UHFFFAOYSA-N 1 0 360.414 2.876 20 5 FFBDRO CCOC(=O)c1cnc(N2C[C@H](CC[NH3+])c3ccccc32)c([N+](=O)[O-])c1 ZINC001168543750 985188385 /nfs/dbraw/zinc/18/83/85/985188385.db2.gz DJKIFJKVQSDORW-LBPRGKRZSA-N 1 0 356.382 2.751 20 5 FFBDRO C[C@H]1C[C@H](C)CN(c2ccc(C(=O)N3CC[N@@H+]4CC[C@H]3C4)cc2[N+](=O)[O-])C1 ZINC000597708617 987286194 /nfs/dbraw/zinc/28/61/94/987286194.db2.gz CUCJZZKIWWJLIO-ZOBUZTSGSA-N 1 0 372.469 2.607 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)c1C ZINC001212496863 987775306 /nfs/dbraw/zinc/77/53/06/987775306.db2.gz HDDIAXUYNMQGHG-AWEZNQCLSA-N 1 0 369.487 2.610 20 5 FFBDRO C[C@H]1CC2(CCC2)C[N@@H+]1CN1C(=O)N[C@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000762147240 988154186 /nfs/dbraw/zinc/15/41/86/988154186.db2.gz XXBMDPXQKYFKLW-SCLBCKFNSA-N 1 0 372.425 2.584 20 5 FFBDRO Cc1c(C(=O)N2CC[NH2+][C@H](Cc3ccc(F)cc3)C2)cccc1[N+](=O)[O-] ZINC001168742988 989295666 /nfs/dbraw/zinc/29/56/66/989295666.db2.gz LSPFABWVLIYQHO-MRXNPFEDSA-N 1 0 357.385 2.699 20 5 FFBDRO Cc1cccc(C(=O)N2CC[NH2+][C@@H](Cc3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC001168744608 989319028 /nfs/dbraw/zinc/31/90/28/989319028.db2.gz TVYAJCVIHRNVAH-INIZCTEOSA-N 1 0 357.385 2.699 20 5 FFBDRO CN(c1ccc(NC(=O)c2ccc([N+](=O)[O-])[nH]2)cc1)C1CC[NH+](C)CC1 ZINC000918655108 990462505 /nfs/dbraw/zinc/46/25/05/990462505.db2.gz CHNDUQLCXVRZKO-UHFFFAOYSA-N 1 0 357.414 2.706 20 5 FFBDRO Cc1ccc(CCC[NH+]2CC3(C2)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC3)cc1 ZINC001035704796 990528598 /nfs/dbraw/zinc/52/85/98/990528598.db2.gz YQXIZYBMJKHFAN-RTBURBONSA-N 1 0 371.481 2.517 20 5 FFBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000711061123 990665268 /nfs/dbraw/zinc/66/52/68/990665268.db2.gz RJMUJDYOGZEVDA-BBRMVZONSA-N 1 0 365.430 2.709 20 5 FFBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879575103 1015592472 /nfs/dbraw/zinc/59/24/72/1015592472.db2.gz GONKOHABASDEKG-IVMMDQJWSA-N 1 0 357.414 2.732 20 5 FFBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1F)[N@@H+]1CCc2ccccc2C1 ZINC000921161645 990991059 /nfs/dbraw/zinc/99/10/59/990991059.db2.gz UAINPAQGYHBMNZ-ZDUSSCGKSA-N 1 0 357.385 2.911 20 5 FFBDRO C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N)CC[N@@H+]1Cc1ccccc1 ZINC000184481540 992778326 /nfs/dbraw/zinc/77/83/26/992778326.db2.gz BRQKVODVEXURBL-GOEBONIOSA-N 1 0 368.437 2.960 20 5 FFBDRO Cc1nn(C)c2nc(Cl)c(CN(CC[NH3+])c3ccccc3[N+](=O)[O-])cc12 ZINC000809728261 994581388 /nfs/dbraw/zinc/58/13/88/994581388.db2.gz QBSJMRMQKPPIPB-UHFFFAOYSA-N 1 0 374.832 2.804 20 5 FFBDRO Cn1cc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c(-c2ccccc2)n1 ZINC000809733546 994583479 /nfs/dbraw/zinc/58/34/79/994583479.db2.gz YHYXANUXHMDUCW-GOSISDBHSA-N 1 0 352.394 2.819 20 5 FFBDRO COc1cc(OC)c(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000809734613 994585040 /nfs/dbraw/zinc/58/50/40/994585040.db2.gz IQKBFWUFKJRDFM-UHFFFAOYSA-N 1 0 361.398 2.586 20 5 FFBDRO Cc1cccnc1OC1CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000809993757 994661457 /nfs/dbraw/zinc/66/14/57/994661457.db2.gz QOBPRYYYCKCUIP-SFHVURJKSA-N 1 0 357.410 2.875 20 5 FFBDRO NC(=O)c1ccnc(NC2CC[NH+](CC3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000811779277 995242308 /nfs/dbraw/zinc/24/23/08/995242308.db2.gz NWSKFOCISKNOOB-UHFFFAOYSA-N 1 0 361.446 2.545 20 5 FFBDRO O=[N+]([O-])c1cn(C[N@@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)nc1-c1ccncc1 ZINC000747828597 995573487 /nfs/dbraw/zinc/57/34/87/995573487.db2.gz GVNYXLPGNJUNNK-HZPDHXFCSA-N 1 0 357.414 2.559 20 5 FFBDRO C[C@@H](CNC(=O)Nc1ccc(N)c([N+](=O)[O-])c1)[N@H+](C)Cc1ccccc1 ZINC000823994015 996773620 /nfs/dbraw/zinc/77/36/20/996773620.db2.gz NBMYQENUGKWEOB-ZDUSSCGKSA-N 1 0 357.414 2.819 20 5 FFBDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825183636 997242340 /nfs/dbraw/zinc/24/23/40/997242340.db2.gz OTRBFZXRTHKGGQ-LJQANCHMSA-N 1 0 371.437 2.785 20 5 FFBDRO COc1cc(Cc2noc([C@H]3CC[C@@H](C4CC4)[NH2+]3)n2)c([N+](=O)[O-])c(OC)c1 ZINC000844918493 998229695 /nfs/dbraw/zinc/22/96/95/998229695.db2.gz VGDAYKPAYPURLK-UONOGXRCSA-N 1 0 374.397 2.789 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(COC(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)c1 ZINC000845125119 998368102 /nfs/dbraw/zinc/36/81/02/998368102.db2.gz XZIJYZHSMTZMDQ-UPJWGTAASA-N 1 0 364.398 2.686 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])cc(-n2cc(C[C@H](C)[NH3+])c3ccc(C)cc32)n1 ZINC001171166356 998369903 /nfs/dbraw/zinc/36/99/03/998369903.db2.gz UYOMKFWIBPHEDO-LBPRGKRZSA-N 1 0 368.393 2.918 20 5 FFBDRO CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000732005551 998391846 /nfs/dbraw/zinc/39/18/46/998391846.db2.gz CHSPNDDZLFFMHH-UHFFFAOYSA-N 1 0 361.373 2.951 20 5 FFBDRO O=C(Oc1cccc(C[N@@H+]2CCc3ccccc3C2)c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000845719430 998636021 /nfs/dbraw/zinc/63/60/21/998636021.db2.gz BAVKLOSDCFBOQN-RTBURBONSA-N 1 0 352.390 2.816 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@@H]1COC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000845733428 998640204 /nfs/dbraw/zinc/64/02/04/998640204.db2.gz ARKAULCFYDSCMD-MRXNPFEDSA-N 1 0 358.398 2.810 20 5 FFBDRO Cc1ccc(C[NH+]2CCC(C3(NC(=O)[C@@H]4C[C@H]4[N+](=O)[O-])CC3)CC2)cc1C ZINC001000156502 1016250956 /nfs/dbraw/zinc/25/09/56/1016250956.db2.gz ZQOWRGNEKHOKTL-RTBURBONSA-N 1 0 371.481 2.829 20 5 FFBDRO C[N@@H+]1CCCC[C@H]1CCC(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000803860685 1016247998 /nfs/dbraw/zinc/24/79/98/1016247998.db2.gz PLCBQBLNZWRUPG-HNNXBMFYSA-N 1 0 364.398 2.769 20 5 FFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1c1ccc([N+](=O)[O-])c2nonc21 ZINC000733190235 998916237 /nfs/dbraw/zinc/91/62/37/998916237.db2.gz BLWUMFGAYURMKK-CYBMUJFWSA-N 1 0 353.382 2.842 20 5 FFBDRO CCOCCC[N@@H+]1CC[C@@H](Nc2nc3ccccn3c2[N+](=O)[O-])[C@H](C)C1 ZINC000734483330 999295132 /nfs/dbraw/zinc/29/51/32/999295132.db2.gz YSZLMUOOXCPPMD-HUUCEWRRSA-N 1 0 361.446 2.791 20 5 FFBDRO CCC1([NH3+])CCN(Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])CC1 ZINC000903946622 1016325435 /nfs/dbraw/zinc/32/54/35/1016325435.db2.gz XFKWSRRCZMOQEU-UHFFFAOYSA-N 1 0 373.400 2.951 20 5 FFBDRO O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000737413454 999598777 /nfs/dbraw/zinc/59/87/77/999598777.db2.gz CFVUSIXICGBSBG-MRXNPFEDSA-N 1 0 372.469 2.942 20 5 FFBDRO O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000737417582 999710942 /nfs/dbraw/zinc/71/09/42/999710942.db2.gz MOTIHCRWPGSJJQ-UHFFFAOYSA-N 1 0 372.469 2.942 20 5 FFBDRO CC[C@@H](C(=O)O[C@@H](C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1)[NH+](CC)CC ZINC000745091679 999891947 /nfs/dbraw/zinc/89/19/47/999891947.db2.gz CZADWPUFPLIXLB-FZMZJTMJSA-N 1 0 369.393 2.725 20 5 FFBDRO C[NH+]1CCN(c2ccccc2NC(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000745372425 999910846 /nfs/dbraw/zinc/91/08/46/999910846.db2.gz QONKVLBIKKFZGL-UHFFFAOYSA-N 1 0 358.373 2.738 20 5 FFBDRO [NH3+]Cc1cccc(-c2nnn(-c3ccc(C(F)(F)F)c([N+](=O)[O-])c3)n2)c1 ZINC001168883747 1000006597 /nfs/dbraw/zinc/00/65/97/1000006597.db2.gz FWAVSEFAICSVDH-UHFFFAOYSA-N 1 0 364.287 2.715 20 5 FFBDRO CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168956976 1000012844 /nfs/dbraw/zinc/01/28/44/1000012844.db2.gz DIDKHHIKURGGHW-AVGNSLFASA-N 1 0 363.405 2.666 20 5 FFBDRO CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168964467 1000013114 /nfs/dbraw/zinc/01/31/14/1000013114.db2.gz SYJIHVAWHQKELU-KRMXURRVSA-N 1 0 353.463 2.667 20 5 FFBDRO O=C(C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccc(Br)c(F)c1 ZINC001168975781 1000013786 /nfs/dbraw/zinc/01/37/86/1000013786.db2.gz XDNLIUGBSCJEQP-ONGXEEELSA-N 1 0 359.195 2.806 20 5 FFBDRO CC(C)(C)OC(=O)N1CC[C@H](F)[C@H](C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168975772 1000013849 /nfs/dbraw/zinc/01/38/49/1000013849.db2.gz XBKNROZCEGUHTA-XGUBFFRZSA-N 1 0 359.442 2.617 20 5 FFBDRO CC(C)(C)OC(=O)N1CCCCC12C[NH+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169038320 1000016962 /nfs/dbraw/zinc/01/69/62/1000016962.db2.gz YCLNNKMEMXXZBC-LSDHHAIUSA-N 1 0 353.463 2.907 20 5 FFBDRO O=C(c1ccco1)N1CCC2(C1)CC[NH+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169018034 1000017166 /nfs/dbraw/zinc/01/71/66/1000017166.db2.gz BIORDBCFRASNJA-HOTGVXAUSA-N 1 0 361.442 2.653 20 5 FFBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCC3(CCOC[C@H]3COCC3CC3)CC2)C1 ZINC001169018695 1000017241 /nfs/dbraw/zinc/01/72/41/1000017241.db2.gz BXGRXPNXYHWQIA-QYZOEREBSA-N 1 0 366.502 2.977 20 5 FFBDRO O=C(c1ccco1)N1CCCC12CC[NH+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169022765 1000017886 /nfs/dbraw/zinc/01/78/86/1000017886.db2.gz SNLCJOBKDISHAC-CVEARBPZSA-N 1 0 361.442 2.796 20 5 FFBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@]3(C[C@H](Oc4ccccn4)CO3)C2)C1 ZINC001169026971 1000018478 /nfs/dbraw/zinc/01/84/78/1000018478.db2.gz ZKMNCYJJLSMMCP-VXIBKDFQSA-N 1 0 361.442 2.529 20 5 FFBDRO Cc1cccc(C[N@@H+]2CC[C@H](NC(=O)Cc3ccc(F)cc3[N+](=O)[O-])C2)c1 ZINC001169150970 1000027843 /nfs/dbraw/zinc/02/78/43/1000027843.db2.gz XSZPUUZHLCNTKV-SFHVURJKSA-N 1 0 371.412 2.976 20 5 FFBDRO COc1ccc2c(c1)c(CC[NH3+])c(C)n2-c1nccc(OC)c1[N+](=O)[O-] ZINC001169174172 1000030761 /nfs/dbraw/zinc/03/07/61/1000030761.db2.gz DYLLZBXCZWWXIQ-UHFFFAOYSA-N 1 0 356.382 2.761 20 5 FFBDRO O=[N+]([O-])c1cc(NCc2ncn3c2C[NH2+]CCC3)ccc1C(F)(F)F ZINC001169241956 1000034201 /nfs/dbraw/zinc/03/42/01/1000034201.db2.gz ATEKLXQKWQZCCL-UHFFFAOYSA-N 1 0 355.320 2.916 20 5 FFBDRO CCOC(=O)c1cc(N2CCCc3ccc(C[NH3+])nc32)ccc1[N+](=O)[O-] ZINC001169592029 1000060249 /nfs/dbraw/zinc/06/02/49/1000060249.db2.gz SYJQDBGZLONMPV-UHFFFAOYSA-N 1 0 356.382 2.710 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH+]2CCC(O)(Cc3cccc(F)c3)CC2)cc1 ZINC000770702548 1000892865 /nfs/dbraw/zinc/89/28/65/1000892865.db2.gz OQRHOVIFVUXIOC-LJQANCHMSA-N 1 0 374.412 2.837 20 5 FFBDRO CC(C)[N@H+](C)[C@H]1CCN(c2nc(C(F)(F)F)nc(Cl)c2[N+](=O)[O-])C1 ZINC001157021916 1001332132 /nfs/dbraw/zinc/33/21/32/1001332132.db2.gz RZUQGGWEYPEXJV-QMMMGPOBSA-N 1 0 367.759 2.976 20 5 FFBDRO Cc1cc(F)cc(C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)c1[N+](=O)[O-] ZINC000786203597 1001548917 /nfs/dbraw/zinc/54/89/17/1001548917.db2.gz ZJPKKWSVDLPSPY-UHFFFAOYSA-N 1 0 361.377 2.758 20 5 FFBDRO Cc1cc(F)ccc1[C@@H](O)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000746654015 1001670611 /nfs/dbraw/zinc/67/06/11/1001670611.db2.gz MVSMTXFTKDWCRZ-IBGZPJMESA-N 1 0 359.401 2.898 20 5 FFBDRO Cc1cc(C(=O)NCc2ccc(CC[NH+](C)C)cc2)c(N)c([N+](=O)[O-])c1 ZINC000787336124 1001683230 /nfs/dbraw/zinc/68/32/30/1001683230.db2.gz CEFBCSRKQFJCKN-UHFFFAOYSA-N 1 0 356.426 2.520 20 5 FFBDRO C[C@H]1CN(C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])CCN1C ZINC000787391058 1001689714 /nfs/dbraw/zinc/68/97/14/1001689714.db2.gz RBCOEOHQODZYAH-HNNXBMFYSA-N 1 0 369.421 2.950 20 5 FFBDRO Cc1ccc(N2CC[C@@H]([NH2+][C@H](C)c3ccc(N)c([N+](=O)[O-])c3)C2=O)cc1 ZINC000788663580 1001846696 /nfs/dbraw/zinc/84/66/96/1001846696.db2.gz HFDHFWQJDNCUFK-CXAGYDPISA-N 1 0 354.410 2.942 20 5 FFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCN1C[C@@H]2CCCCN2C1=O ZINC001182977305 1002125745 /nfs/dbraw/zinc/12/57/45/1002125745.db2.gz DMEYMVGTJQPKNE-RXBGNRNISA-N 1 0 358.442 2.878 20 5 FFBDRO CCc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)[NH+](C)C)cc1 ZINC000791301915 1002639304 /nfs/dbraw/zinc/63/93/04/1002639304.db2.gz UHKHCAGJUQBYRR-GOSISDBHSA-N 1 0 374.416 2.911 20 5 FFBDRO C[C@H](CNc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC001184839251 1002733990 /nfs/dbraw/zinc/73/39/90/1002733990.db2.gz FOODNWFTRLULNS-UONOGXRCSA-N 1 0 358.442 2.979 20 5 FFBDRO O=[N+]([O-])c1c(N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cccc1C(F)(F)F ZINC001185241249 1002880976 /nfs/dbraw/zinc/88/09/76/1002880976.db2.gz HIDRWIQJWIBJAU-OCCSQVGLSA-N 1 0 359.348 2.649 20 5 FFBDRO CN(C[C@H]1CCC[N@H+](C)C1)c1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-] ZINC001185421513 1002938615 /nfs/dbraw/zinc/93/86/15/1002938615.db2.gz WZAZKUIHOVDYGF-LBPRGKRZSA-N 1 0 359.386 2.829 20 5 FFBDRO CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNc2nc(-c3ccccc3)ccc2[N+](=O)[O-])O1 ZINC001170273548 1003085351 /nfs/dbraw/zinc/08/53/51/1003085351.db2.gz RMGIIEUHZARBDR-LMMKCTJWSA-N 1 0 372.425 2.794 20 5 FFBDRO COc1ccc(C[C@H](C)N2CCCc3ccc(C[NH3+])nc32)c([N+](=O)[O-])c1 ZINC001170305356 1003093192 /nfs/dbraw/zinc/09/31/92/1003093192.db2.gz JLLQLSHCDONVEZ-ZDUSSCGKSA-N 1 0 356.426 2.841 20 5 FFBDRO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170313356 1003104901 /nfs/dbraw/zinc/10/49/01/1003104901.db2.gz LSAJVTTZDUJGEJ-WQVCFCJDSA-N 1 0 350.415 2.856 20 5 FFBDRO COc1ccc(C[C@@H](C)[NH2+]CCNC(=O)C2CCCCC2)c([N+](=O)[O-])c1 ZINC001170315956 1003106463 /nfs/dbraw/zinc/10/64/63/1003106463.db2.gz ZMICFVQFSCEZKP-CQSZACIVSA-N 1 0 363.458 2.821 20 5 FFBDRO CCc1nnc2ccc(C[NH2+][C@H](C)Cc3ccc(OC)cc3[N+](=O)[O-])cn21 ZINC001170324109 1003111989 /nfs/dbraw/zinc/11/19/89/1003111989.db2.gz OFTZMTRVEKABRC-CYBMUJFWSA-N 1 0 369.425 2.929 20 5 FFBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2cncn2C2CCOCC2)c([N+](=O)[O-])c1 ZINC001170328806 1003114796 /nfs/dbraw/zinc/11/47/96/1003114796.db2.gz VKTVHBXBDHMDET-CQSZACIVSA-N 1 0 374.441 2.872 20 5 FFBDRO COc1ccc(C[C@H](C)[NH+]2CCC(c3nncn3C)CC2)c([N+](=O)[O-])c1 ZINC001170352670 1003121275 /nfs/dbraw/zinc/12/12/75/1003121275.db2.gz PTOLAMPKBXTSHC-ZDUSSCGKSA-N 1 0 359.430 2.543 20 5 FFBDRO COc1ccc(C[C@H](C)N(c2cnccn2)C2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC001170354681 1003121296 /nfs/dbraw/zinc/12/12/96/1003121296.db2.gz NXWKBQFEDIZWCM-AWEZNQCLSA-N 1 0 371.441 2.583 20 5 FFBDRO COc1ccc(C[C@@H](C)[N@H+](C)[C@@H]2CCC3(C2)OCCO3)c([N+](=O)[O-])c1 ZINC001170354374 1003121359 /nfs/dbraw/zinc/12/13/59/1003121359.db2.gz JVJNEBXINALODY-UKRRQHHQSA-N 1 0 350.415 2.762 20 5 FFBDRO COc1ccc(C[C@@H](C)n2ccc([C@@H]3CCC[NH2+]3)nc2=N)c([N+](=O)[O-])c1 ZINC001170344406 1003132465 /nfs/dbraw/zinc/13/24/65/1003132465.db2.gz BUKPLUALIFCLBW-DOMZBBRYSA-N 1 0 357.414 2.508 20 5 FFBDRO CC[C@H]1CCCC[C@@H]1[NH2+]CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000775678956 1003633736 /nfs/dbraw/zinc/63/37/36/1003633736.db2.gz WYOHTLQQBAVKHM-LPHOPBHVSA-N 1 0 374.485 2.802 20 5 FFBDRO CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC001202229809 1005321394 /nfs/dbraw/zinc/32/13/94/1005321394.db2.gz JVUXJZAMTLJRJT-QGZVFWFLSA-N 1 0 369.425 2.713 20 5 FFBDRO CCN1C[C@H](C[N@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)Oc2ccccc21 ZINC000776277793 1005336303 /nfs/dbraw/zinc/33/63/03/1005336303.db2.gz SGYFBKCSWIFCGJ-PKOBYXMFSA-N 1 0 371.437 2.848 20 5 FFBDRO Cc1ccc(F)c(C[NH2+]C[C@H]2CC[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 ZINC001050325677 1016967995 /nfs/dbraw/zinc/96/79/95/1016967995.db2.gz KLTSGBVRULWJJS-GFOCRRMGSA-N 1 0 363.433 2.564 20 5 FFBDRO C[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cc(Cl)cc(Cl)c1 ZINC001490192843 1005671065 /nfs/dbraw/zinc/67/10/65/1005671065.db2.gz HGIIVUNWFRFUFZ-ZIAGYGMSSA-N 1 0 360.241 2.597 20 5 FFBDRO CCCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC[NH+](CCCC2CCC2)CC1 ZINC001490616635 1005745628 /nfs/dbraw/zinc/74/56/28/1005745628.db2.gz JHQOOMZJHRWSIP-QZTJIDSGSA-N 1 0 351.491 2.935 20 5 FFBDRO COC(=O)N(C)CC[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000850389997 1005812628 /nfs/dbraw/zinc/81/26/28/1005812628.db2.gz ODWCJAFLNRJJSW-UHFFFAOYSA-N 1 0 363.370 2.651 20 5 FFBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CC[C@@H](C)[C@@H]([NH3+])C2)CC1 ZINC000850722359 1005834608 /nfs/dbraw/zinc/83/46/08/1005834608.db2.gz QSAGGMZLBBCDGX-PBHICJAKSA-N 1 0 360.458 2.640 20 5 FFBDRO CO[C@H]1CC[C@@H]([N@@H+]2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)C1 ZINC000851935800 1005924534 /nfs/dbraw/zinc/92/45/34/1005924534.db2.gz SNPUZCUKLCVTRN-HIFRSBDPSA-N 1 0 359.430 2.551 20 5 FFBDRO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776580730 1005961127 /nfs/dbraw/zinc/96/11/27/1005961127.db2.gz ZHVKUBLQBCEJRC-LESCRADOSA-N 1 0 363.458 2.645 20 5 FFBDRO C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC(C)(C)NC(=O)OC(C)(C)C ZINC000852306407 1005969604 /nfs/dbraw/zinc/96/96/04/1005969604.db2.gz DQDOSASPDLHYCE-OAHLLOKOSA-N 1 0 367.446 2.863 20 5 FFBDRO COC(=O)[C@H](C)[C@@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000776591431 1006006830 /nfs/dbraw/zinc/00/68/30/1006006830.db2.gz MHOGRPMFEABMCZ-FSPWUOQZSA-N 1 0 358.394 2.768 20 5 FFBDRO CC(C)Oc1nc(N2CC[NH2+][C@@H](c3ccc(O)cc3)C2)ccc1[N+](=O)[O-] ZINC001187496575 1006116970 /nfs/dbraw/zinc/11/69/70/1006116970.db2.gz HQYHYFNALPXQLB-OAHLLOKOSA-N 1 0 358.398 2.634 20 5 FFBDRO C[C@@H]1CN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CCN1c1cc[nH+]cc1 ZINC000881632828 1006164291 /nfs/dbraw/zinc/16/42/91/1006164291.db2.gz RAGBQNLQAHMTPM-CYBMUJFWSA-N 1 0 365.393 2.822 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cccc4c3CC[NH2+]C4)CC2)cc1 ZINC000852742497 1006164574 /nfs/dbraw/zinc/16/45/74/1006164574.db2.gz IMPOMMQAQKUAAI-UHFFFAOYSA-N 1 0 352.438 2.563 20 5 FFBDRO [NH3+][C@H]1CCc2ccccc2N(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000852755577 1006168254 /nfs/dbraw/zinc/16/82/54/1006168254.db2.gz UGLIAQJGLRUXLF-ZDUSSCGKSA-N 1 0 374.828 2.967 20 5 FFBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000110991790 1006247221 /nfs/dbraw/zinc/24/72/21/1006247221.db2.gz UJGWOKUOEMPRBL-CYBMUJFWSA-N 1 0 364.402 2.724 20 5 FFBDRO O=[N+]([O-])c1c(F)nccc1NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000882030072 1006284215 /nfs/dbraw/zinc/28/42/15/1006284215.db2.gz PTHVVYZZIGAGMB-UHFFFAOYSA-N 1 0 360.389 2.698 20 5 FFBDRO CC(=O)c1c([N+](=O)[O-])cccc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000882116285 1006302314 /nfs/dbraw/zinc/30/23/14/1006302314.db2.gz PANAFQNXDGGCSR-UHFFFAOYSA-N 1 0 374.485 2.792 20 5 FFBDRO Cc1ccccc1CC(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001134416431 1006318906 /nfs/dbraw/zinc/31/89/06/1006318906.db2.gz VKSDAQKEGGBORT-UHFFFAOYSA-N 1 0 368.437 2.836 20 5 FFBDRO C[NH+](C)CCOc1ccc(/C=C/C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000776676470 1006390837 /nfs/dbraw/zinc/39/08/37/1006390837.db2.gz MHGHFDXCHDTCKG-BJMVGYQFSA-N 1 0 371.393 2.893 20 5 FFBDRO COCC[N@H+](Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1)[C@H]1CC[C@@H](C)C1 ZINC000853507862 1006421258 /nfs/dbraw/zinc/42/12/58/1006421258.db2.gz CHSCVPGGFXIYEQ-CABCVRRESA-N 1 0 359.430 2.948 20 5 FFBDRO O=[N+]([O-])c1cccc([N+](=O)[O-])c1NCC1CC[NH+](C2CCOCC2)CC1 ZINC000853755910 1006526543 /nfs/dbraw/zinc/52/65/43/1006526543.db2.gz DWUGMNQTJNGOAX-UHFFFAOYSA-N 1 0 364.402 2.806 20 5 FFBDRO CCN(Cc1ccccc1)C(=O)C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815569267 1006687952 /nfs/dbraw/zinc/68/79/52/1006687952.db2.gz MQCJVEMOVVHIMW-CQSZACIVSA-N 1 0 356.426 2.876 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCc2ccccc2N2CC[NH+](C)CC2)c1 ZINC001116151627 1032158272 /nfs/dbraw/zinc/15/82/72/1032158272.db2.gz GMLCTKAYXOTEMF-UHFFFAOYSA-N 1 0 368.437 2.585 20 5 FFBDRO CCc1cc(N2CCC[C@@H]([NH2+][C@H](C)c3ccc(N)c([N+](=O)[O-])c3)C2)ncn1 ZINC000815592980 1006702997 /nfs/dbraw/zinc/70/29/97/1006702997.db2.gz XKTBCYARXRZLAV-CZUORRHYSA-N 1 0 370.457 2.849 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC001189997668 1007417275 /nfs/dbraw/zinc/41/72/75/1007417275.db2.gz RXDSCSBXJAPLIO-HNNXBMFYSA-N 1 0 369.487 2.610 20 5 FFBDRO CCOC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000776821029 1007431458 /nfs/dbraw/zinc/43/14/58/1007431458.db2.gz CCPNLKYTCOIVGS-UONOGXRCSA-N 1 0 365.430 2.950 20 5 FFBDRO CCC1([NH+]2CCC2)CCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC1 ZINC000884717558 1007517848 /nfs/dbraw/zinc/51/78/48/1007517848.db2.gz FFBYSIWXWZAEDW-UHFFFAOYSA-N 1 0 357.414 2.698 20 5 FFBDRO CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000776827577 1007530944 /nfs/dbraw/zinc/53/09/44/1007530944.db2.gz UKWQCAWXXXQTAG-GJZGRUSLSA-N 1 0 365.430 2.820 20 5 FFBDRO CCOC(=O)N1CCC[C@@H]([C@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000776827579 1007531137 /nfs/dbraw/zinc/53/11/37/1007531137.db2.gz UKWQCAWXXXQTAG-LSDHHAIUSA-N 1 0 365.430 2.820 20 5 FFBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000855809690 1007575114 /nfs/dbraw/zinc/57/51/14/1007575114.db2.gz JODKZHHZZUZBQB-CYBMUJFWSA-N 1 0 365.405 2.636 20 5 FFBDRO Cc1c(C(=O)NC2CCC([NH+](C)C)CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000817483092 1007611296 /nfs/dbraw/zinc/61/12/96/1007611296.db2.gz DJSNMBNPUWDDMS-UHFFFAOYSA-N 1 0 364.402 2.722 20 5 FFBDRO CC(C)c1ccc(C(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)cc1[N+](=O)[O-] ZINC000885882248 1007819551 /nfs/dbraw/zinc/81/95/51/1007819551.db2.gz GKJYTANMRNAWKJ-MRXNPFEDSA-N 1 0 361.442 2.701 20 5 FFBDRO C/C(=C\C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000856429358 1007822012 /nfs/dbraw/zinc/82/20/12/1007822012.db2.gz JOKXDKLPHYFCKM-DUVHGLKDSA-N 1 0 361.442 2.567 20 5 FFBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)CC1 ZINC000818017323 1007840872 /nfs/dbraw/zinc/84/08/72/1007840872.db2.gz BDZTXQXMADUMKI-FQEVSTJZSA-N 1 0 372.469 2.799 20 5 FFBDRO CC[N@H+](C)Cc1cc(O[C@@H]2CCN(c3ncc([N+](=O)[O-])cc3C)C2)ccn1 ZINC000856533878 1007873157 /nfs/dbraw/zinc/87/31/57/1007873157.db2.gz QNZYYQSCOUCMNA-GOSISDBHSA-N 1 0 371.441 2.803 20 5 FFBDRO COc1ccccc1N1CC[C@H](C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000818988592 1008002099 /nfs/dbraw/zinc/00/20/99/1008002099.db2.gz CGDILBYOZUDGQM-DNVCBOLYSA-N 1 0 371.437 2.753 20 5 FFBDRO Cc1ccc([C@H](C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)N2CCCC2)o1 ZINC000818997015 1008004749 /nfs/dbraw/zinc/00/47/49/1008004749.db2.gz PKJFHGFGZZCZMS-ZWKOTPCHSA-N 1 0 359.426 2.956 20 5 FFBDRO C[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CN1Cc1ccccc1 ZINC000819154888 1008045567 /nfs/dbraw/zinc/04/55/67/1008045567.db2.gz RTEJYDAGCKFCDC-MOXGXCLJSA-N 1 0 355.438 2.881 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCCc2ccc3c(c2)OCCO3)cc1 ZINC000819157058 1008046606 /nfs/dbraw/zinc/04/66/06/1008046606.db2.gz LWPUDEWOBHRIIV-QGZVFWFLSA-N 1 0 358.394 2.622 20 5 FFBDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819398025 1008115696 /nfs/dbraw/zinc/11/56/96/1008115696.db2.gz OEZPLINXDUNAJJ-HXUWFJFHSA-N 1 0 370.453 2.801 20 5 FFBDRO COCC(C)(C)[NH+]1CCN(C(=O)/C(C)=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000819636343 1008202739 /nfs/dbraw/zinc/20/27/39/1008202739.db2.gz UAQDJXRPHFBWIV-SQFISAMPSA-N 1 0 361.442 2.567 20 5 FFBDRO COc1ccc(OCC[N@@H+]2CC[C@H](Oc3ccc(C)cn3)C2)c([N+](=O)[O-])c1 ZINC000858036585 1008285424 /nfs/dbraw/zinc/28/54/24/1008285424.db2.gz PAIBJSCZWZGLOO-INIZCTEOSA-N 1 0 373.409 2.839 20 5 FFBDRO Cc1c(CO)cc([N+](=O)[O-])c(NC[C@H]2CC[N@@H+]2C2CCCC2)c1[N+](=O)[O-] ZINC000858780249 1008422742 /nfs/dbraw/zinc/42/27/42/1008422742.db2.gz LMRKATUNWBRKIJ-CQSZACIVSA-N 1 0 364.402 2.733 20 5 FFBDRO Cc1nn(-c2ccccc2C)c(C)c1C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000886026243 1008518098 /nfs/dbraw/zinc/51/80/98/1008518098.db2.gz RGWYFRFHERAQHC-UHFFFAOYSA-N 1 0 354.414 2.692 20 5 FFBDRO O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000126475809 1009232255 /nfs/dbraw/zinc/23/22/55/1009232255.db2.gz ZVKWAYUNOHOWNL-PXAZEXFGSA-N 1 0 374.397 2.592 20 5 FFBDRO O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CCC([NH2+]C2CCC2)CC1 ZINC000889829009 1010143008 /nfs/dbraw/zinc/14/30/08/1010143008.db2.gz HBKPUOVERSUDRK-UHFFFAOYSA-N 1 0 369.368 2.943 20 5 FFBDRO Cc1[nH+]c2cc(NCc3ccc([N+](=O)[O-])cc3F)ccc2n1C(CO)CO ZINC001181796943 1010249093 /nfs/dbraw/zinc/24/90/93/1010249093.db2.gz RBLXOBGOSIXQQW-UHFFFAOYSA-N 1 0 374.372 2.530 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000817532787 1010255708 /nfs/dbraw/zinc/25/57/08/1010255708.db2.gz JMDBLKLDKNKJBA-MRXNPFEDSA-N 1 0 361.442 2.585 20 5 FFBDRO NC(=O)Cc1ccc(C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC001182175101 1010421143 /nfs/dbraw/zinc/42/11/43/1010421143.db2.gz VJIKQHBYASBTTJ-UHFFFAOYSA-N 1 0 367.327 2.931 20 5 FFBDRO CC(C)[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H](O)c1ccccc1 ZINC000794604650 1010437165 /nfs/dbraw/zinc/43/71/65/1010437165.db2.gz MPHUJTGABIMHET-ROUUACIJSA-N 1 0 357.410 2.542 20 5 FFBDRO C[NH+]1CCN(c2ccc(NC(=O)Cc3cccc(F)c3[N+](=O)[O-])cc2)CC1 ZINC000864552086 1010501592 /nfs/dbraw/zinc/50/15/92/1010501592.db2.gz GSVIEXQOYBWNPV-UHFFFAOYSA-N 1 0 372.400 2.667 20 5 FFBDRO O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1CN1CC[C@H](c2ccccc2)C1 ZINC000120273992 1010604202 /nfs/dbraw/zinc/60/42/02/1010604202.db2.gz KOWZEPIJWNJLPY-AWEZNQCLSA-N 1 0 351.362 2.638 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+]C(C)(C)[C@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000865744312 1010853415 /nfs/dbraw/zinc/85/34/15/1010853415.db2.gz SDXOSSNAWSNXLZ-MRXNPFEDSA-N 1 0 366.414 2.584 20 5 FFBDRO CC(C)(C)OC(=O)CN1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000865776190 1010859855 /nfs/dbraw/zinc/85/98/55/1010859855.db2.gz NHTFDWXZSRUNPC-UHFFFAOYSA-N 1 0 367.421 2.630 20 5 FFBDRO CN(CC[NH+]1CC2(C1)CCOCC2)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000866255802 1010962892 /nfs/dbraw/zinc/96/28/92/1010962892.db2.gz FHLBAZFSPUPELT-UHFFFAOYSA-N 1 0 356.426 2.692 20 5 FFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1CCO[C@@H](c2ccnn2C)C1 ZINC000866372845 1010985035 /nfs/dbraw/zinc/98/50/35/1010985035.db2.gz VDFYAPOCOCWIJE-HNJNHCNJSA-N 1 0 362.405 2.908 20 5 FFBDRO C[C@H](C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)CC1(C)OCCO1 ZINC000866426825 1010992046 /nfs/dbraw/zinc/99/20/46/1010992046.db2.gz DZPTWVDDHZYOCH-YOEHRIQHSA-N 1 0 374.441 2.797 20 5 FFBDRO C[C@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)CC1(C)OCCO1 ZINC000866424785 1010992336 /nfs/dbraw/zinc/99/23/36/1010992336.db2.gz OAFKIVKTYUUYPE-HNNXBMFYSA-N 1 0 363.458 2.942 20 5 FFBDRO C[N@@H+]1CC[C@H](NC(=O)Cc2cccc(F)c2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000867031703 1011925666 /nfs/dbraw/zinc/92/56/66/1011925666.db2.gz VRPFWCVPEUYINF-QFBILLFUSA-N 1 0 357.385 2.838 20 5 FFBDRO C[N@@H+]1CC[C@@H](NC(=O)Cc2cccc(F)c2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000867031701 1011925842 /nfs/dbraw/zinc/92/58/42/1011925842.db2.gz VRPFWCVPEUYINF-APWZRJJASA-N 1 0 357.385 2.838 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@@H]1CCN(c3ncccn3)C1)CC2 ZINC001172897214 1012071644 /nfs/dbraw/zinc/07/16/44/1012071644.db2.gz YAUSQHHYMKSKJO-DLBZAZTESA-N 1 0 353.426 2.501 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@H]1CCC[C@@H]1N1CCOCC1)CC2 ZINC001172902871 1012078466 /nfs/dbraw/zinc/07/84/66/1012078466.db2.gz MPFUFZSTOQIASJ-HOJAQTOUSA-N 1 0 359.470 2.685 20 5 FFBDRO COC(=O)c1csc(C[NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)n1 ZINC001172895467 1012097063 /nfs/dbraw/zinc/09/70/63/1012097063.db2.gz DZDLKDDMVJEBBZ-ZDUSSCGKSA-N 1 0 361.423 2.875 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH2+]C[C@H]3CC[C@H](O)C3)CC2)c(F)c1 ZINC001173006338 1012173000 /nfs/dbraw/zinc/17/30/00/1012173000.db2.gz REMXLIGWLREYMW-FZMZJTMJSA-N 1 0 355.385 2.592 20 5 FFBDRO C[C@@H]([NH3+])c1nccn1C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173006132 1012173487 /nfs/dbraw/zinc/17/34/87/1012173487.db2.gz NBWDTQZHLPJSMY-SNVBAGLBSA-N 1 0 351.357 2.931 20 5 FFBDRO CC(C)[C@@H](CCO)[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173009097 1012175951 /nfs/dbraw/zinc/17/59/51/1012175951.db2.gz MBAKRKGZFOOQBC-MRXNPFEDSA-N 1 0 357.401 2.838 20 5 FFBDRO CN1CCC[C@@H]([NH2+]C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)C1 ZINC001173008514 1012176636 /nfs/dbraw/zinc/17/66/36/1012176636.db2.gz AQBAORHGZKLKFL-CYBMUJFWSA-N 1 0 354.401 2.526 20 5 FFBDRO C[C@@H]1C[N@@H+](C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)CCC[C@H]1O ZINC001173009937 1012178909 /nfs/dbraw/zinc/17/89/09/1012178909.db2.gz KHCVIHFETVZBEJ-SJKOYZFVSA-N 1 0 369.412 2.935 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH2+][C@H]3CC[C@@H](CO)CC3)CC2)c(F)c1 ZINC001173011320 1012181506 /nfs/dbraw/zinc/18/15/06/1012181506.db2.gz ZVLDHWNXVASIKT-BETUJISGSA-N 1 0 369.412 2.983 20 5 FFBDRO C[C@H]1COCC[N@@H+](C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)C1 ZINC001173010630 1012182145 /nfs/dbraw/zinc/18/21/45/1012182145.db2.gz WNVLQRYIVXKJCK-GFCCVEGCSA-N 1 0 355.385 2.810 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(N2CCC([N@@H+]3CCC[C@@H](CCO)C3)CC2)c(F)c1 ZINC001173014757 1012184892 /nfs/dbraw/zinc/18/48/92/1012184892.db2.gz AJHCZPMAVNHGSB-ZDUSSCGKSA-N 1 0 369.412 2.936 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(N2CCC([N@@H+]3CCCC34COC4)CC2)c(F)c1 ZINC001173018425 1012189976 /nfs/dbraw/zinc/18/99/76/1012189976.db2.gz STYRHYFYHUQDFX-UHFFFAOYSA-N 1 0 353.369 2.707 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]Cc2nnc3cc(C)ccn32)c1F ZINC001173177598 1012319117 /nfs/dbraw/zinc/31/91/17/1012319117.db2.gz VUBDDQRHUGYDKH-GFCCVEGCSA-N 1 0 373.388 2.814 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C[C@@H](O)c2ccc(O)cc2)c1F ZINC001173178951 1012320717 /nfs/dbraw/zinc/32/07/17/1012320717.db2.gz NRASWKKLDXPWBJ-BDJLRTHQSA-N 1 0 364.373 2.702 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CC[NH+](C3CCC3)CC2)c1F ZINC001173181338 1012323956 /nfs/dbraw/zinc/32/39/56/1012323956.db2.gz OSQVSDFBTKQASM-ZDUSSCGKSA-N 1 0 351.422 2.844 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH+]2CCC(N3CC(F)C3)CC2)c1F ZINC001173194877 1012336926 /nfs/dbraw/zinc/33/69/26/1012336926.db2.gz ARYPBXJWVVJOFX-GFCCVEGCSA-N 1 0 369.412 2.792 20 5 FFBDRO CCCN(CC(=O)OCC)[C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173194889 1012339170 /nfs/dbraw/zinc/33/91/70/1012339170.db2.gz ASKHCFFKQHBWQV-GFCCVEGCSA-N 1 0 356.394 2.949 20 5 FFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@]2(CCN2c2ncccn2)C1 ZINC001173222940 1012354958 /nfs/dbraw/zinc/35/49/58/1012354958.db2.gz DQNYTBZKAOSCHU-DNVCBOLYSA-N 1 0 353.426 2.671 20 5 FFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCN(Cc2ccccc2)[C@@H](CO)C1 ZINC001173224442 1012359355 /nfs/dbraw/zinc/35/93/55/1012359355.db2.gz FWOVRMCFNQYBJR-DYESRHJHSA-N 1 0 369.465 2.705 20 5 FFBDRO CCO[C@H]1CC[N@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)[C@H]1Cc1cnn(C)c1 ZINC001173230270 1012363472 /nfs/dbraw/zinc/36/34/72/1012363472.db2.gz ZPZVOBPARNVQKB-XPGWFJOJSA-N 1 0 372.469 2.981 20 5 FFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001173209586 1012369708 /nfs/dbraw/zinc/36/97/08/1012369708.db2.gz DFAXVFXXOBITIR-VDNDLQMASA-N 1 0 361.442 2.981 20 5 FFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](C3OCCO3)C2)c(Br)c1 ZINC000718981032 1012535423 /nfs/dbraw/zinc/53/54/23/1012535423.db2.gz SAAQWHPHGHPQRN-NSHDSACASA-N 1 0 357.204 2.552 20 5 FFBDRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000870975992 1012662025 /nfs/dbraw/zinc/66/20/25/1012662025.db2.gz LQMLKPSHLREOAX-UBSAEIQESA-N 1 0 372.450 2.979 20 5 FFBDRO O=[N+]([O-])c1cccc2cc(-c3nc(-c4ccc5c(n4)CC[NH2+]C5)no3)[nH]c21 ZINC001217277355 1032675734 /nfs/dbraw/zinc/67/57/34/1032675734.db2.gz QTMOYUYSURDWHX-UHFFFAOYSA-N 1 0 362.349 2.834 20 5 FFBDRO CN(C)c1cc[nH+]c(CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000924663433 1017405846 /nfs/dbraw/zinc/40/58/46/1017405846.db2.gz YKOFOLMJAYBPCB-UHFFFAOYSA-N 1 0 369.425 2.930 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@@]3(C(F)(F)F)CCCN3)CC2)cc1 ZINC000925858832 1017876809 /nfs/dbraw/zinc/87/68/09/1017876809.db2.gz OWLQLBWGLDIXSQ-MRXNPFEDSA-N 1 0 372.391 2.838 20 5 FFBDRO Cn1ccnc1[C@H]([NH2+]C[C@]12CCC[C@H]1OCC2)c1ccc([N+](=O)[O-])cc1 ZINC000926916593 1018290572 /nfs/dbraw/zinc/29/05/72/1018290572.db2.gz RLTLVJVIEZGPJY-ZHALLVOQSA-N 1 0 356.426 2.967 20 5 FFBDRO CN(C)c1cc[nH+]c(CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000927699871 1018630413 /nfs/dbraw/zinc/63/04/13/1018630413.db2.gz KWCSKTCPGAHMOL-UHFFFAOYSA-N 1 0 360.389 2.789 20 5 FFBDRO C[C@@H](NC(=O)CC1([NH+]2CCOCC2)CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000928250047 1018910672 /nfs/dbraw/zinc/91/06/72/1018910672.db2.gz YLIQALSZTCQSJA-OAHLLOKOSA-N 1 0 361.442 2.807 20 5 FFBDRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000801822640 1019417660 /nfs/dbraw/zinc/41/76/60/1019417660.db2.gz SLYAIHDLBZKHMK-STQMWFEESA-N 1 0 366.437 2.804 20 5 FFBDRO O=C(OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CC[NH+](C2CC2)CC1 ZINC000801873392 1019469854 /nfs/dbraw/zinc/46/98/54/1019469854.db2.gz POLIGXPATCYHQY-UHFFFAOYSA-N 1 0 372.381 2.562 20 5 FFBDRO Cn1nc2c(c1-c1nc(-c3ccc4ccc5cccnc5c4n3)no1)C[NH2+]C2 ZINC001217689613 1032839094 /nfs/dbraw/zinc/83/90/94/1032839094.db2.gz WOAZBMDKPDNQEI-UHFFFAOYSA-N 1 0 369.388 2.837 20 5 FFBDRO C[C@H]1CCC[C@@H]([N@H+](C)CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000726586212 1020488476 /nfs/dbraw/zinc/48/84/76/1020488476.db2.gz IPFBARIZDAXWIR-UONOGXRCSA-N 1 0 360.414 2.831 20 5 FFBDRO O=[N+]([O-])c1cc(Br)cc(F)c1O[C@H]1CCC[NH2+]C[C@H]1F ZINC001217950527 1032915036 /nfs/dbraw/zinc/91/50/36/1032915036.db2.gz PTSWGLHITOBVHO-KOLCDFICSA-N 1 0 351.147 2.965 20 5 FFBDRO C[C@@]1(C2CC[NH+](CCCOc3ccc([N+](=O)[O-])cc3)CC2)COC(=O)N1 ZINC000932094485 1020705056 /nfs/dbraw/zinc/70/50/56/1020705056.db2.gz NGXUAWHBBKKGAP-SFHVURJKSA-N 1 0 363.414 2.574 20 5 FFBDRO COc1cc([C@@H](C)[NH2+][C@@H]2CCCN(c3cc(C)nn3C)C2)cc([N+](=O)[O-])c1 ZINC000903161533 1020710213 /nfs/dbraw/zinc/71/02/13/1020710213.db2.gz UKTSOWQIUZSSHA-GDBMZVCRSA-N 1 0 373.457 2.965 20 5 FFBDRO COc1cc([C@H](C)[NH2+]C[C@H]2CCC3(CCOCC3)[C@@H]2O)cc([N+](=O)[O-])c1 ZINC000903164587 1020713379 /nfs/dbraw/zinc/71/33/79/1020713379.db2.gz IVBOTBUWUFUSCR-PMUMKWKESA-N 1 0 364.442 2.822 20 5 FFBDRO COCc1ccccc1CNC(=O)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000932179439 1020734719 /nfs/dbraw/zinc/73/47/19/1020734719.db2.gz HOBBESXGKQEFEZ-CQSZACIVSA-N 1 0 357.410 2.708 20 5 FFBDRO COc1cc([C@@H](C)[NH2+]Cc2ccc3oc(=O)n(C)c3c2)cc([N+](=O)[O-])c1 ZINC000903208000 1020740467 /nfs/dbraw/zinc/74/04/67/1020740467.db2.gz XUTLFPYUXXJXNM-LLVKDONJSA-N 1 0 357.366 2.899 20 5 FFBDRO COC(=O)c1cc2n(n1)CCC[C@@H]2[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000903245188 1020761740 /nfs/dbraw/zinc/76/17/40/1020761740.db2.gz JXMVMRLUCILOCR-OCCSQVGLSA-N 1 0 358.398 2.806 20 5 FFBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 ZINC000749598922 1021012065 /nfs/dbraw/zinc/01/20/65/1021012065.db2.gz MKUFGURELPZJQY-OAHLLOKOSA-N 1 0 360.458 2.655 20 5 FFBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)c1 ZINC000934268177 1021182646 /nfs/dbraw/zinc/18/26/46/1021182646.db2.gz HUPNVVBJILCONI-HOTGVXAUSA-N 1 0 373.375 2.645 20 5 FFBDRO O=[N+]([O-])c1ccccc1OCC[N@H+]1Cc2ncccc2N2CCC[C@H]2C1 ZINC000934492242 1021259273 /nfs/dbraw/zinc/25/92/73/1021259273.db2.gz SELVJTURPRUCCL-HNNXBMFYSA-N 1 0 354.410 2.853 20 5 FFBDRO COC(=O)CC[N@@H+](Cc1ccccc1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750056642 1021284370 /nfs/dbraw/zinc/28/43/70/1021284370.db2.gz YNPLNVLMPJXANG-GOSISDBHSA-N 1 0 358.394 2.694 20 5 FFBDRO CCO[C@H]1COCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Br ZINC001116685164 1021354987 /nfs/dbraw/zinc/35/49/87/1021354987.db2.gz WIRHPVOBYBLWMF-KGLIPLIRSA-N 1 0 359.220 2.641 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCC[C@@H]([C@H]2CCOC2)C1 ZINC000934836969 1021421955 /nfs/dbraw/zinc/42/19/55/1021421955.db2.gz GUIPBEFTCXMJCB-CVEARBPZSA-N 1 0 361.442 2.980 20 5 FFBDRO C[NH+]1CCC([C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000935087717 1021561860 /nfs/dbraw/zinc/56/18/60/1021561860.db2.gz XGQAAWYNYWMIBH-NZSAHSFTSA-N 1 0 357.454 2.889 20 5 FFBDRO Cc1nc(O[C@@H]2CCC[C@]23CC[NH2+]C3)c([N+](=O)[O-])cc1Br ZINC001218091706 1032991253 /nfs/dbraw/zinc/99/12/53/1032991253.db2.gz FSUJAQDPGDCSRI-TZMCWYRMSA-N 1 0 356.220 2.972 20 5 FFBDRO Cc1c(Br)c(O[C@H]2CCC[C@@]23CC[NH2+]C3)ncc1[N+](=O)[O-] ZINC001218097956 1032991358 /nfs/dbraw/zinc/99/13/58/1032991358.db2.gz WJQFXUHNXIMRGF-FZMZJTMJSA-N 1 0 356.220 2.972 20 5 FFBDRO COc1cccc(N2CCC([NH2+]C[C@@H](O)c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC001118148826 1022092290 /nfs/dbraw/zinc/09/22/90/1022092290.db2.gz XLLMBPXEEOYQCT-HXUWFJFHSA-N 1 0 371.437 2.895 20 5 FFBDRO Cc1c([N+](=O)[O-])cc(C(=O)NCC(C)(C)[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000042159975 1022145748 /nfs/dbraw/zinc/14/57/48/1022145748.db2.gz MMNHOYSMNNYNDB-UHFFFAOYSA-N 1 0 364.402 2.806 20 5 FFBDRO CC[NH+](CC)C1CCN(C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC001118388694 1022209624 /nfs/dbraw/zinc/20/96/24/1022209624.db2.gz FADNXEWUZUJRJD-UHFFFAOYSA-N 1 0 371.384 2.899 20 5 FFBDRO O=C(CC1([NH+]2CCOCC2)CCCC1)OCc1ccc(F)cc1[N+](=O)[O-] ZINC001118458596 1022243535 /nfs/dbraw/zinc/24/35/35/1022243535.db2.gz GPFBVWIEWSGXIV-UHFFFAOYSA-N 1 0 366.389 2.812 20 5 FFBDRO C[C@H]1CCC[N@H+](CCCCNC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C1 ZINC000047213895 1022526308 /nfs/dbraw/zinc/52/63/08/1022526308.db2.gz FIQJVQABTVAGQX-HNNXBMFYSA-N 1 0 362.474 2.903 20 5 FFBDRO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000779098417 1022806730 /nfs/dbraw/zinc/80/67/30/1022806730.db2.gz BXQWSATUGHFQPB-CQSZACIVSA-N 1 0 365.430 2.963 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1C[C@H](C)Oc1ccc2c(c1)C(C)(C)C[NH2+]CC2 ZINC001218304354 1033096302 /nfs/dbraw/zinc/09/63/02/1033096302.db2.gz HESIPYNCIRKKFZ-ZDUSSCGKSA-N 1 0 358.442 2.991 20 5 FFBDRO CO[C@]1(C)C[C@@H]([N@H+](C)Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C1(C)C ZINC000751935428 1022982088 /nfs/dbraw/zinc/98/20/88/1022982088.db2.gz VXNLYOZSQXXCAF-CRAIPNDOSA-N 1 0 359.430 2.946 20 5 FFBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000075005595 1022987110 /nfs/dbraw/zinc/98/71/10/1022987110.db2.gz UCVSVSLHMPNIGH-AWEZNQCLSA-N 1 0 365.430 2.915 20 5 FFBDRO O=C(NC[C@]12CCC[C@H]1[NH2+]CC2)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001122195776 1023105942 /nfs/dbraw/zinc/10/59/42/1023105942.db2.gz ZINRFLOSHKFWFN-UKRRQHHQSA-N 1 0 357.332 2.876 20 5 FFBDRO c1cnc2c(c1)ccc1ccc(CN3CC[NH2+]C[C@]4(CCCCN4)C3)nc12 ZINC001222683724 1033111831 /nfs/dbraw/zinc/11/18/31/1033111831.db2.gz AAFVUIATHRWWNA-JOCHJYFZSA-N 1 0 361.493 2.701 20 5 FFBDRO O=[N+]([O-])c1ccc2nc(OCCO[C@@H]3CC[NH2+]C3)cc(C(F)(F)F)c2c1 ZINC001218393903 1033136090 /nfs/dbraw/zinc/13/60/90/1033136090.db2.gz NJSGKRAIAWIWMN-LLVKDONJSA-N 1 0 371.315 2.919 20 5 FFBDRO C[C@H]1C[NH2+]CC[C@@H]1Oc1cccc(I)c1[N+](=O)[O-] ZINC001218417806 1033146224 /nfs/dbraw/zinc/14/62/24/1033146224.db2.gz XPNODLJNUXWBDE-WPRPVWTQSA-N 1 0 362.167 2.576 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)O[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001122957992 1023573506 /nfs/dbraw/zinc/57/35/06/1023573506.db2.gz LBOKDAYSAUWKOT-PBHICJAKSA-N 1 0 372.425 2.554 20 5 FFBDRO C[C@H]1CC[C@@H](Oc2cc([N+](=O)[O-])ccc2I)C[NH2+]1 ZINC001218409244 1033143645 /nfs/dbraw/zinc/14/36/45/1033143645.db2.gz YIQNTSZZNUITGW-WCBMZHEXSA-N 1 0 362.167 2.719 20 5 FFBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)[C@H]3CCC[C@@H](F)C3)c2)CC1 ZINC001121159120 1023630991 /nfs/dbraw/zinc/63/09/91/1023630991.db2.gz DNHKTHCKTKKRHV-UONOGXRCSA-N 1 0 364.421 2.813 20 5 FFBDRO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])[C@@H]2C1 ZINC001121200895 1023647236 /nfs/dbraw/zinc/64/72/36/1023647236.db2.gz YXWALRDAPKQGHE-UHTWSYAYSA-N 1 0 369.874 2.797 20 5 FFBDRO COc1ccc(NC(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC001123274497 1023717459 /nfs/dbraw/zinc/71/74/59/1023717459.db2.gz HSZQFMQFAUHFHT-LBPRGKRZSA-N 1 0 350.419 2.845 20 5 FFBDRO O=[N+]([O-])c1cc(Br)c(F)cc1O[C@H]1C[NH2+]CCC1(F)F ZINC001218449325 1033160886 /nfs/dbraw/zinc/16/08/86/1033160886.db2.gz UIYWBQVPDRZKLK-JTQLQIEISA-N 1 0 355.110 2.872 20 5 FFBDRO CCn1c(C2CC[NH+](C)CC2)nnc1N(C)CCc1cccc([N+](=O)[O-])c1 ZINC001121674557 1023918941 /nfs/dbraw/zinc/91/89/41/1023918941.db2.gz GXHSWQGBLSGEOK-UHFFFAOYSA-N 1 0 372.473 2.694 20 5 FFBDRO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])N1CCC2(C1)CC[NH2+]CC2 ZINC001121930276 1024179147 /nfs/dbraw/zinc/17/91/47/1024179147.db2.gz BFOQZXPEMQULJI-UHFFFAOYSA-N 1 0 351.834 2.783 20 5 FFBDRO O=[N+]([O-])c1ccc(NCCC2(O)CC[NH+](Cc3ccccc3)CC2)nc1 ZINC000717939783 1025225007 /nfs/dbraw/zinc/22/50/07/1025225007.db2.gz TWZAMXOHSJYSSS-UHFFFAOYSA-N 1 0 356.426 2.819 20 5 FFBDRO C[NH+]1CCN(c2ccc(NC(=O)CCc3cccc([N+](=O)[O-])c3)cc2)CC1 ZINC000087003269 1025307094 /nfs/dbraw/zinc/30/70/94/1025307094.db2.gz FTCRUDJZEPCAIV-UHFFFAOYSA-N 1 0 368.437 2.918 20 5 FFBDRO CC[NH+]1CCN(CC(C)(C)NC(=O)/C=C(/C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000837135170 1025605585 /nfs/dbraw/zinc/60/55/85/1025605585.db2.gz PIVJVGIIVIXTKV-PEZBUJJGSA-N 1 0 374.485 2.530 20 5 FFBDRO CCn1cc([N+](=O)[O-])c(C(=O)O[C@@H]2C[C@H](C)C[N@H+](Cc3ccccc3)C2)n1 ZINC000839091966 1026584626 /nfs/dbraw/zinc/58/46/26/1026584626.db2.gz VCSSNFFYHUAMQU-GOEBONIOSA-N 1 0 372.425 2.879 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](C(N)=O)[C@@H](c2ccccc2)C1 ZINC000839640209 1026769776 /nfs/dbraw/zinc/76/97/76/1026769776.db2.gz ICLNPMNWCLYKAY-MSOLQXFVSA-N 1 0 369.421 2.694 20 5 FFBDRO C[C@@]12C[N@H+](Cn3cnc(-c4ccc([N+](=O)[O-])cc4)n3)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000840116299 1026962913 /nfs/dbraw/zinc/96/29/13/1026962913.db2.gz OAKLXBMMMKTGTO-YEWFCNIMSA-N 1 0 351.410 2.955 20 5 FFBDRO C[N@@H+]1CCCC[C@H]1CCOC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000840230824 1027013434 /nfs/dbraw/zinc/01/34/34/1027013434.db2.gz LRXVIFMRVRTZLF-LBPRGKRZSA-N 1 0 359.382 2.880 20 5 FFBDRO O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N1CCC([NH2+]C2CCC2)CC1 ZINC001158568066 1027061373 /nfs/dbraw/zinc/06/13/73/1027061373.db2.gz WWDNOCWDOYSSQL-UHFFFAOYSA-N 1 0 351.834 2.924 20 5 FFBDRO Cn1ncc([N+](=O)[O-])c1C(=O)OCc1cccc(C[NH+]2CCCCC2)c1 ZINC000840397323 1027069973 /nfs/dbraw/zinc/06/99/73/1027069973.db2.gz SSUKUUNFVYQGBX-UHFFFAOYSA-N 1 0 358.398 2.671 20 5 FFBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N2CCCc3ccc(C[NH3+])nc32)n1 ZINC001158650105 1027083974 /nfs/dbraw/zinc/08/39/74/1027083974.db2.gz VKQGRMJYYTUNIS-UHFFFAOYSA-N 1 0 366.834 2.698 20 5 FFBDRO Cc1c(Nc2ccccc2N2CC[NH2+]CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001159814044 1027508406 /nfs/dbraw/zinc/50/84/06/1027508406.db2.gz IRLQWAIZWLTSHW-UHFFFAOYSA-N 1 0 357.370 2.965 20 5 FFBDRO CSc1nc(Cl)nc(-n2cc3ccc(C[NH3+])cc3n2)c1[N+](=O)[O-] ZINC001160140566 1027607763 /nfs/dbraw/zinc/60/77/63/1027607763.db2.gz PUARBVLZNQCFPT-UHFFFAOYSA-N 1 0 350.791 2.558 20 5 FFBDRO O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N[C@H]2CC[NH2+]C[C@H]2C(F)(F)F)c1 ZINC001160736822 1027844515 /nfs/dbraw/zinc/84/45/15/1027844515.db2.gz NIFXAWPRSMADNS-BDAKNGLRSA-N 1 0 374.697 2.823 20 5 FFBDRO COC(=O)c1cnc(-n2cc(C(C)(C)C[NH3+])c3ccccc32)c([N+](=O)[O-])c1 ZINC001160843128 1027898027 /nfs/dbraw/zinc/89/80/27/1027898027.db2.gz PEFCBNXRAZEXPE-UHFFFAOYSA-N 1 0 368.393 2.957 20 5 FFBDRO COc1cccc(C[N@@H+]2CC[C@H](Nc3nc(Cl)ncc3[N+](=O)[O-])C2)c1 ZINC001161186719 1028054222 /nfs/dbraw/zinc/05/42/22/1028054222.db2.gz FLWGFECYORSMAO-LBPRGKRZSA-N 1 0 363.805 2.733 20 5 FFBDRO O=[N+]([O-])c1c(Cl)ccnc1NCC1CC[NH+](C2CCOCC2)CC1 ZINC001161234039 1028084648 /nfs/dbraw/zinc/08/46/48/1028084648.db2.gz FNWCFCIUKPRDQY-UHFFFAOYSA-N 1 0 354.838 2.946 20 5 FFBDRO COc1nc(C)c([N+](=O)[O-])c(N(CC[NH3+])c2cccc3ccccc32)n1 ZINC001154683487 1028404891 /nfs/dbraw/zinc/40/48/91/1028404891.db2.gz MDLBFNNEXLFDGI-UHFFFAOYSA-N 1 0 353.382 2.952 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)ncnc2NCC1(c2cccnc2)CC[NH2+]CC1 ZINC001162036617 1028407895 /nfs/dbraw/zinc/40/78/95/1028407895.db2.gz OAKTXXXAYFQPCA-UHFFFAOYSA-N 1 0 364.409 2.666 20 5 FFBDRO CC(=O)Nc1cc(NC[C@H]2C[NH2+][C@H](C)C2)c([N+](=O)[O-])cc1Br ZINC001162560132 1028580652 /nfs/dbraw/zinc/58/06/52/1028580652.db2.gz ZIURERYDJVJUJX-PSASIEDQSA-N 1 0 371.235 2.726 20 5 FFBDRO Cn1cc([N+](=O)[O-])c(NCCCOC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC001162732758 1028638778 /nfs/dbraw/zinc/63/87/78/1028638778.db2.gz VCSKPZQAYTWOHP-UHFFFAOYSA-N 1 0 373.457 2.812 20 5 FFBDRO CCOC(=O)c1ccnc(-n2c3ccccc3nc2[C@H](C)[NH3+])c1[N+](=O)[O-] ZINC001155256573 1028647971 /nfs/dbraw/zinc/64/79/71/1028647971.db2.gz MZHXRPNWQNIHDL-JTQLQIEISA-N 1 0 355.354 2.525 20 5 FFBDRO CC(C)[C@@H]1CCC[N@H+](CN2C(=O)N[C@@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000780497737 1028715410 /nfs/dbraw/zinc/71/54/10/1028715410.db2.gz MMSDLJTWPBEKNA-KUHUBIRLSA-N 1 0 374.441 2.687 20 5 FFBDRO O=[N+]([O-])c1c(Cl)c2ccccc2nc1NCC[C@@H]1CCOC12C[NH2+]C2 ZINC001155476930 1028753083 /nfs/dbraw/zinc/75/30/83/1028753083.db2.gz JVNHTVMTZRWQBB-LLVKDONJSA-N 1 0 362.817 2.977 20 5 FFBDRO O=[N+]([O-])c1c(Cl)ccc2nc(NC[C@H]3OC[C@H]4C[NH2+]CC[C@H]43)ccc21 ZINC001155527622 1028778515 /nfs/dbraw/zinc/77/85/15/1028778515.db2.gz MMGRFVHTFQQASC-UEKVPHQBSA-N 1 0 362.817 2.833 20 5 FFBDRO O=[N+]([O-])c1ccccc1-c1ccc(NC[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001155597609 1028807798 /nfs/dbraw/zinc/80/77/98/1028807798.db2.gz LNVSHNBPCSJEMF-KUHUBIRLSA-N 1 0 369.425 2.622 20 5 FFBDRO CC(C)Oc1ccnc(CNc2cc(/C=C/N(C)C)c([N+](=O)[O-])cn2)n1 ZINC001163263582 1028858721 /nfs/dbraw/zinc/85/87/21/1028858721.db2.gz GRSYDJDDMJXQHB-SOFGYWHQSA-N 1 0 358.402 2.711 20 5 FFBDRO COc1cccc([C@H](C[NH3+])NC(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)c1 ZINC001163306899 1028883877 /nfs/dbraw/zinc/88/38/77/1028883877.db2.gz SKACRUKVJKKGFB-NSHDSACASA-N 1 0 372.759 2.991 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(-n2c(C[NH3+])cc3cc(Cl)ccc32)n1 ZINC001155995310 1029005187 /nfs/dbraw/zinc/00/51/87/1029005187.db2.gz COYQNOPRZMKDEA-UHFFFAOYSA-N 1 0 360.757 2.832 20 5 FFBDRO O=[N+]([O-])c1ccc2ncnc(-n3ccc4cc(N5CC[NH2+]CC5)ccc43)c2c1 ZINC001156206454 1029088534 /nfs/dbraw/zinc/08/85/34/1029088534.db2.gz JJJOABWPZDESIA-UHFFFAOYSA-N 1 0 374.404 2.892 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)cnc1-n1ccc2cc(N3CC[NH2+]CC3)ccc21 ZINC001156207314 1029090307 /nfs/dbraw/zinc/09/03/07/1029090307.db2.gz SAMHRXIHPVYSSM-UHFFFAOYSA-N 1 0 357.801 2.997 20 5 FFBDRO O=[N+]([O-])c1c(Cl)ccnc1-n1ccc2cc(N3CC[NH2+]CC3)ccc21 ZINC001156206882 1029090636 /nfs/dbraw/zinc/09/06/36/1029090636.db2.gz NNNCCYBUTLBMNC-UHFFFAOYSA-N 1 0 357.801 2.997 20 5 FFBDRO CS(=O)(=O)N(c1cccc(C[NH3+])c1)c1ccc2c(cccc2[N+](=O)[O-])n1 ZINC001156487003 1029212634 /nfs/dbraw/zinc/21/26/34/1029212634.db2.gz VGXFHRRFPGQPOP-UHFFFAOYSA-N 1 0 372.406 2.699 20 5 FFBDRO O=C(NCCC1(C[NH2+]Cc2cccc(F)c2Cl)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001164494621 1029298792 /nfs/dbraw/zinc/29/87/92/1029298792.db2.gz PDJRKIUJXYWTEI-TZMCWYRMSA-N 1 0 369.824 2.520 20 5 FFBDRO C[N@@H+]1CCCC[C@@H]1CCOC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000781736106 1029382021 /nfs/dbraw/zinc/38/20/21/1029382021.db2.gz VMTFMHXKHCNLGT-CQSZACIVSA-N 1 0 365.386 2.853 20 5 FFBDRO CC[N@H+]([C@H]1CCOC1)C1CCN(c2cc(Cl)cc([N+](=O)[O-])n2)CC1 ZINC001165107089 1029391897 /nfs/dbraw/zinc/39/18/97/1029391897.db2.gz FGFXFUQQTUEUPF-AWEZNQCLSA-N 1 0 354.838 2.723 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H](CO)c2ccc(C(F)(F)F)cc2)cc1 ZINC000782091607 1029566031 /nfs/dbraw/zinc/56/60/31/1029566031.db2.gz PGDJGRHVCUIXAR-HZPDHXFCSA-N 1 0 370.327 2.970 20 5 FFBDRO O=[N+]([O-])c1ccnc(N(c2nccc(C(F)(F)F)n2)C2CC[NH2+]CC2)c1 ZINC001157530766 1029609689 /nfs/dbraw/zinc/60/96/89/1029609689.db2.gz DVBJNBCTAJTUAM-UHFFFAOYSA-N 1 0 368.319 2.689 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2noc([C@]3(O)CC[N@H+](Cc4ccccc4)C3)n2)c1 ZINC000782222793 1029615323 /nfs/dbraw/zinc/61/53/23/1029615323.db2.gz FSTBXWYPIVMHPW-IBGZPJMESA-N 1 0 366.377 2.738 20 5 FFBDRO O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CC[NH2+][C@H](c2ccccc2)C1 ZINC001157758666 1029655713 /nfs/dbraw/zinc/65/57/13/1029655713.db2.gz BIRLMEKAPRHYSY-JTQLQIEISA-N 1 0 354.197 2.843 20 5 FFBDRO CSc1nc(Cl)nc(N2CC[NH2+][C@H](c3ccccc3)C2)c1[N+](=O)[O-] ZINC001157764635 1029658160 /nfs/dbraw/zinc/65/81/60/1029658160.db2.gz CLZDWQBXFZAICZ-NSHDSACASA-N 1 0 365.846 2.911 20 5 FFBDRO [NH3+][C@H]1CC[C@H](N(Cc2cccnc2)c2nc(Cl)ncc2[N+](=O)[O-])CC1 ZINC001158164973 1029748886 /nfs/dbraw/zinc/74/88/86/1029748886.db2.gz MFTHCRSHLADTOZ-JOCQHMNTSA-N 1 0 362.821 2.710 20 5 FFBDRO COC(=O)c1ccnc(N[C@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)c1[N+](=O)[O-] ZINC001158263401 1029778379 /nfs/dbraw/zinc/77/83/79/1029778379.db2.gz CKTPQZHWMMOAGX-APPDUMDISA-N 1 0 350.419 2.732 20 5 FFBDRO O=[N+]([O-])c1c[nH]c2ccc(N3CCC4(CC[NH2+]CC4)[C@@H]3C(F)(F)F)nc21 ZINC001165266961 1029921821 /nfs/dbraw/zinc/92/18/21/1029921821.db2.gz XCADIHWQQQORQL-CQSZACIVSA-N 1 0 369.347 2.982 20 5 FFBDRO Cc1nc2c(n1-c1cc(Cl)nc3ccc([N+](=O)[O-])cc31)CC[NH2+]CC2 ZINC001165354682 1029956932 /nfs/dbraw/zinc/95/69/32/1029956932.db2.gz GHTHZNSQQGZGSM-UHFFFAOYSA-N 1 0 357.801 2.979 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC[N@H+](Cc3ccccc3)CC2)c2nonc21 ZINC000841138615 1030067908 /nfs/dbraw/zinc/06/79/08/1030067908.db2.gz ZRVNJPYXVAHTPU-UHFFFAOYSA-N 1 0 353.382 2.843 20 5 FFBDRO CC1([C@@H]2CCC[N@H+](Cn3cc(-c4cccc([N+](=O)[O-])c4)cn3)C2)OCCO1 ZINC000784039036 1030435846 /nfs/dbraw/zinc/43/58/46/1030435846.db2.gz RRCGZOLUVDRNEE-QGZVFWFLSA-N 1 0 372.425 2.891 20 5 FFBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000841854463 1030503661 /nfs/dbraw/zinc/50/36/61/1030503661.db2.gz ABHUAOOVRQAIMP-KRWDZBQOSA-N 1 0 374.828 2.934 20 5 FFBDRO O=C1NC2(CC[NH2+]CC2)N(c2cc(Cl)ncc2[N+](=O)[O-])c2ccccc21 ZINC001166808169 1030526381 /nfs/dbraw/zinc/52/63/81/1030526381.db2.gz XNBLWKDPPROODV-UHFFFAOYSA-N 1 0 373.800 2.604 20 5 FFBDRO N=c1sc2c(n1-c1cc3ccc(Cl)nc3cc1[N+](=O)[O-])CC[NH2+]C2 ZINC001166861748 1030553921 /nfs/dbraw/zinc/55/39/21/1030553921.db2.gz HHCAEGBCRBTTEB-UHFFFAOYSA-N 1 0 361.814 2.774 20 5 FFBDRO COc1nc(NC[C@@H](c2ccccc2)[NH+]2CCCC2)nc(C)c1[N+](=O)[O-] ZINC001166866114 1030555279 /nfs/dbraw/zinc/55/52/79/1030555279.db2.gz WRGSXOROEJBUNL-HNNXBMFYSA-N 1 0 357.414 2.951 20 5 FFBDRO CCc1cc(N2CC[C@@H]([NH3+])C(F)(F)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001166959898 1030588292 /nfs/dbraw/zinc/58/82/92/1030588292.db2.gz DFZUNNLNHKTZGQ-CQSZACIVSA-N 1 0 363.368 2.787 20 5 FFBDRO Cc1ccc(-c2nc3sccc3c(N(C)C3C[NH2+]C3)n2)cc1[N+](=O)[O-] ZINC001166982596 1030597455 /nfs/dbraw/zinc/59/74/55/1030597455.db2.gz KOIXABJKVWTCHS-UHFFFAOYSA-N 1 0 355.423 2.983 20 5 FFBDRO C[C@@H](O)[C@@H](O)C[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC001203275925 1030659725 /nfs/dbraw/zinc/65/97/25/1030659725.db2.gz DHZQPCWCDFASQI-ABAIWWIYSA-N 1 0 366.801 2.872 20 5 FFBDRO C[C@H](Cc1nc(CCNc2ccccc2[N+](=O)[O-])no1)[C@H]1CCC[NH2+]C1 ZINC000843185205 1031229800 /nfs/dbraw/zinc/22/98/00/1031229800.db2.gz PXQAKEKFFXCEDL-KGLIPLIRSA-N 1 0 359.430 2.811 20 5 FFBDRO CCOC(=O)N1CCC(C)(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC001204952408 1031475388 /nfs/dbraw/zinc/47/53/88/1031475388.db2.gz AJNBLJQFPUZBQQ-UHFFFAOYSA-N 1 0 365.430 2.952 20 5 FFBDRO C[C@@]1(Br)C[C@@H]1C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001205114503 1031533151 /nfs/dbraw/zinc/53/31/51/1031533151.db2.gz HWAUNOVHGROJCF-IUODEOHRSA-N 1 0 354.248 2.890 20 5 FFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H](CCO)Cc1ccccc1 ZINC000799732403 1031868017 /nfs/dbraw/zinc/86/80/17/1031868017.db2.gz YKTIJDBTWZSGGX-CRAIPNDOSA-N 1 0 371.437 2.895 20 5 FFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](CCO)Cc1ccccc1 ZINC000799731880 1031869852 /nfs/dbraw/zinc/86/98/52/1031869852.db2.gz ROJOXARDRPTYFQ-YJBOKZPZSA-N 1 0 371.437 2.895 20 5 FFBDRO C[NH+]1CCC2(CC[C@H](COCc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)O2)CC1 ZINC001223486415 1033465406 /nfs/dbraw/zinc/46/54/06/1033465406.db2.gz UUUVWRBICNADKY-MRXNPFEDSA-N 1 0 365.386 2.663 20 5 FFBDRO C[C@@H](CNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC001223656035 1033539766 /nfs/dbraw/zinc/53/97/66/1033539766.db2.gz RLCVIWZHLLCWDX-KBPBESRZSA-N 1 0 350.463 2.974 20 5 FFBDRO C[NH+](C)[C@H]1CCOc2c(NC(=O)[C@H](O)c3cccc([N+](=O)[O-])c3)cccc21 ZINC000831392719 1034061584 /nfs/dbraw/zinc/06/15/84/1034061584.db2.gz JLHKZUYPVWKXMV-DLBZAZTESA-N 1 0 371.393 2.652 20 5 FFBDRO C[N@@H+]1C[C@@]23CN(C(=O)NCCc4cccc([N+](=O)[O-])c4)C[C@]2(C1)CCCC3 ZINC001225484560 1034274547 /nfs/dbraw/zinc/27/45/47/1034274547.db2.gz MYAXOLSGIXCCOS-BGYRXZFFSA-N 1 0 372.469 2.655 20 5 FFBDRO C[C@H](C[N+](C)(C)C)Oc1ccc([N+](=O)[O-])cc1I ZINC001226037436 1034500631 /nfs/dbraw/zinc/50/06/31/1034500631.db2.gz UOXHUDBXNOTULD-SECBINFHSA-N 1 0 365.191 2.673 20 5 FFBDRO Cc1ccnc(O[C@@H](C)[C@H]2CN(Cc3ccccc3)CCO2)c1[N+](=O)[O-] ZINC001226120344 1034534651 /nfs/dbraw/zinc/53/46/51/1034534651.db2.gz UJMUHLCANAPBNE-DOTOQJQBSA-N 1 0 357.410 2.967 20 5 FFBDRO Cc1cc(C(=O)N2CCC(C)([NH+]3CCCCC3)CC2)c(N)c([N+](=O)[O-])c1 ZINC000832234130 1034657739 /nfs/dbraw/zinc/65/77/39/1034657739.db2.gz FYJYBCAZCMUVKR-UHFFFAOYSA-N 1 0 360.458 2.966 20 5 FFBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)CC1 ZINC000832731910 1034929977 /nfs/dbraw/zinc/92/99/77/1034929977.db2.gz WIAKJCJGTVDZMW-PBHICJAKSA-N 1 0 360.458 2.640 20 5 FFBDRO O=[N+]([O-])c1cnc(OC2CC[NH+](Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC001227108189 1034937986 /nfs/dbraw/zinc/93/79/86/1034937986.db2.gz KVPUBVMZPAGZNE-UHFFFAOYSA-N 1 0 358.354 2.941 20 5 FFBDRO CC[C@H]1C[N@H+](C)CCCN1C(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001139628008 1035183568 /nfs/dbraw/zinc/18/35/68/1035183568.db2.gz KTHVJMSMIFABEU-AWEZNQCLSA-N 1 0 356.426 2.887 20 5 FFBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CCC(C)([NH3+])CC2)CC1 ZINC000834589555 1035410747 /nfs/dbraw/zinc/41/07/47/1035410747.db2.gz PSEZMSGNIVKKFP-UHFFFAOYSA-N 1 0 360.458 2.785 20 5 FFBDRO C[C@H](c1ccccn1)[N@@H+]1CCC[C@H](Oc2ncc([N+](=O)[O-])c3nc[nH]c32)C1 ZINC001227692265 1035675443 /nfs/dbraw/zinc/67/54/43/1035675443.db2.gz VQNJGUXVZNIZBF-OLZOCXBDSA-N 1 0 368.397 2.866 20 5 FFBDRO O=[N+]([O-])c1cnc(OC2CC[NH+](Cc3ccccc3)CC2)c2[nH]cnc21 ZINC001227693202 1035677458 /nfs/dbraw/zinc/67/74/58/1035677458.db2.gz OETDSPFJFWXUDS-UHFFFAOYSA-N 1 0 353.382 2.910 20 5 FFBDRO CC(=O)O[C@H]1C[C@@H]2C[C@H](Oc3nccc4ccc([N+](=O)[O-])cc43)C[C@H]1[N@@H+]2C ZINC001229010083 1036456319 /nfs/dbraw/zinc/45/63/19/1036456319.db2.gz ZCJQZOSUBYIDHQ-ONIAQPFYSA-N 1 0 371.393 2.689 20 5 FFBDRO CC[NH+](CC)C[C@@H](C)Oc1cc(NC(C)=O)c([N+](=O)[O-])cc1C(C)=O ZINC001229128664 1036513077 /nfs/dbraw/zinc/51/30/77/1036513077.db2.gz BUXCQILKZIGQMM-LLVKDONJSA-N 1 0 351.403 2.865 20 5 FFBDRO Cc1nc(O[C@@H]2CC[N@H+](Cc3ccccc3Cl)C2)c([N+](=O)[O-])c(=O)[n-]1 ZINC001229378253 1036639812 /nfs/dbraw/zinc/63/98/12/1036639812.db2.gz JMNPNDOGSOSFKZ-GFCCVEGCSA-N 1 0 364.789 2.706 20 5 FFBDRO O=[N+]([O-])c1cn2c(n1)OC[C@@H](Oc1cccc(C[NH+]3CCCCC3)c1)C2 ZINC001229449018 1036680534 /nfs/dbraw/zinc/68/05/34/1036680534.db2.gz UAVUJUOBNMDWBP-INIZCTEOSA-N 1 0 358.398 2.617 20 5 FFBDRO COC(=O)c1cnc(O[C@@H](CC[NH+](C)C)c2cccs2)c([N+](=O)[O-])c1 ZINC001233858942 1036791120 /nfs/dbraw/zinc/79/11/20/1036791120.db2.gz IKBJDJZDOXTHEN-ZDUSSCGKSA-N 1 0 365.411 2.910 20 5 FFBDRO O=[N+]([O-])c1cc([N+](=O)[O-])c(O[C@H]2CCc3nccn3C2)c2ncccc12 ZINC001233906835 1036820434 /nfs/dbraw/zinc/82/04/34/1036820434.db2.gz ZJJGNCVBNLNBPQ-JTQLQIEISA-N 1 0 355.310 2.642 20 5 FFBDRO COc1c(C)cc([N+](=O)[O-])c(O[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1[N+](=O)[O-] ZINC001229869578 1036950152 /nfs/dbraw/zinc/95/01/52/1036950152.db2.gz DCDUJLHYSMHXTI-ZSBIGDGJSA-N 1 0 351.359 2.824 20 5 FFBDRO COc1c(O)cc(O[C@@H]2CCC[N@H+](C)C2)c2c(=O)c3ccccc3n(C)c12 ZINC001234172816 1036954143 /nfs/dbraw/zinc/95/41/43/1036954143.db2.gz VILVTIFJADGQHC-CYBMUJFWSA-N 1 0 368.433 2.879 20 5 FFBDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2Oc1cc(N2CCOCC2)ccc1[N+](=O)[O-] ZINC001234363478 1037005140 /nfs/dbraw/zinc/00/51/40/1037005140.db2.gz JHODDGXRRHZSRC-CCWDJLKJSA-N 1 0 361.442 2.541 20 5 FFBDRO C[N@@H+]1CCC[C@H](Oc2c([O-])ccc3c([O-])c4c(=O)cc(O)cc-4oc32)CC1 ZINC001234751653 1037168758 /nfs/dbraw/zinc/16/87/58/1037168758.db2.gz BVAWYWWRQNHWQG-LBPRGKRZSA-N 1 0 371.389 2.926 20 5 FFBDRO C[C@H](C[N+](C)(C)C)Oc1cc2c(cc1[C@H]1c3ccccc3NC1=O)OCO2 ZINC001230430176 1037279110 /nfs/dbraw/zinc/27/91/10/1037279110.db2.gz DUZQTVKVJOJCOA-ZUOKHONESA-O 1 0 369.441 2.973 20 5 FFBDRO COC(=O)c1ccc(-c2cccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c2)cc1 ZINC001231016434 1037436576 /nfs/dbraw/zinc/43/65/76/1037436576.db2.gz BUGPDFSQYXJEIE-GOSISDBHSA-N 1 0 372.441 2.503 20 5 FFBDRO CCN1CCC[C@H]1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC001256082694 1038367209 /nfs/dbraw/zinc/36/72/09/1038367209.db2.gz JDLYGKNPUHHPKX-KRWDZBQOSA-N 1 0 362.474 2.646 20 5 FFBDRO COc1cc(N2CCC([N@@H+]3CC[C@]4(CCOC4)C3)CC2)ccc1[N+](=O)[O-] ZINC001256093889 1038379338 /nfs/dbraw/zinc/37/93/38/1038379338.db2.gz RRJXMHYZCRQLGQ-IBGZPJMESA-N 1 0 361.442 2.685 20 5 FFBDRO Cc1cc(S(=O)(=O)NCC[N@@H+](C)C2CCCCC2)c(F)cc1[N+](=O)[O-] ZINC001208543850 1038400476 /nfs/dbraw/zinc/40/04/76/1038400476.db2.gz NMRMCRPSYXFTRK-UHFFFAOYSA-N 1 0 373.450 2.585 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC001251275387 1039043617 /nfs/dbraw/zinc/04/36/17/1039043617.db2.gz FGIPVDVKURQRMQ-GFCCVEGCSA-N 1 0 369.849 2.958 20 5 FFBDRO C[C@H]1C[NH+](CCc2nnc(-c3c(F)ccc([N+](=O)[O-])c3F)o2)C[C@H](C)O1 ZINC001258136395 1039212465 /nfs/dbraw/zinc/21/24/65/1039212465.db2.gz AWJJVSUPTUEKQD-UWVGGRQHSA-N 1 0 368.340 2.575 20 5 FFBDRO C[C@@H]1C[N@@H+](CCc2nnc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C[C@H](C)O1 ZINC001258147312 1039228717 /nfs/dbraw/zinc/22/87/17/1039228717.db2.gz YIFCUCIAPSHXAI-PHIMTYICSA-N 1 0 366.805 2.950 20 5 FFBDRO C[C@@H]1C[NH+](CCc2nnc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C[C@@H](C)O1 ZINC001258147311 1039229523 /nfs/dbraw/zinc/22/95/23/1039229523.db2.gz YIFCUCIAPSHXAI-GHMZBOCLSA-N 1 0 366.805 2.950 20 5 FFBDRO N[C@@H]1CC[N@@H+](C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)CC[C@H]1F ZINC001246572805 1039401738 /nfs/dbraw/zinc/40/17/38/1039401738.db2.gz UVDNNOUDXGLPRA-CZUORRHYSA-N 1 0 372.391 2.603 20 5 FFBDRO COc1cnc(-c2noc(C[C@@H]([NH3+])c3cccc([N+](=O)[O-])c3)n2)c(C)c1 ZINC001249279339 1040667401 /nfs/dbraw/zinc/66/74/01/1040667401.db2.gz ZRJOFFCMMZNZBR-CQSZACIVSA-N 1 0 355.354 2.599 20 5 FFBDRO Cc1noc([C@H]2CC[N@@H+](C3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C2)n1 ZINC001254480388 1040747663 /nfs/dbraw/zinc/74/76/63/1040747663.db2.gz FFQPQWCSHHUVDN-AWEZNQCLSA-N 1 0 357.414 2.745 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@]12C[C@H]1CN(C(=O)c1ccco1)C2 ZINC001254535172 1040786007 /nfs/dbraw/zinc/78/60/07/1040786007.db2.gz HVDCIGSLERIWHX-WTANOLMUSA-N 1 0 355.394 2.623 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1(c2cnccn2)CCOCC1 ZINC001254547748 1040790473 /nfs/dbraw/zinc/79/04/73/1040790473.db2.gz WELCSFHQBPFXNY-HNNXBMFYSA-N 1 0 356.426 2.654 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cc(OC2CCOCC2)ncn1 ZINC001254544141 1040791129 /nfs/dbraw/zinc/79/11/29/1040791129.db2.gz HUCXPCUAWIZICD-CQSZACIVSA-N 1 0 372.425 2.663 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cn(Cc2ccncc2)cn1 ZINC001254545374 1040791372 /nfs/dbraw/zinc/79/13/72/1040791372.db2.gz MUJNKEBUOZTEIV-OAHLLOKOSA-N 1 0 351.410 2.955 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CCN(C(=O)c2cccnc2)CC1 ZINC001254548581 1040792876 /nfs/dbraw/zinc/79/28/76/1040792876.db2.gz OGMWSLLZFCSGJA-OAHLLOKOSA-N 1 0 368.437 2.815 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]C1CCN(c3ccc(Cl)nn3)CC1)C2 ZINC001254566260 1040802934 /nfs/dbraw/zinc/80/29/34/1040802934.db2.gz JCMJXBUIDMBRCT-OAHLLOKOSA-N 1 0 373.844 2.764 20 5 FFBDRO CC(C)(C)OC(=O)N[C@H]1C[C@H](C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254567921 1040804409 /nfs/dbraw/zinc/80/44/09/1040804409.db2.gz QTRVJARPPIYSEB-DAXOMENPSA-N 1 0 361.442 2.955 20 5 FFBDRO CCOC(=O)C[C@H]([NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1cccnc1 ZINC001254578079 1040812074 /nfs/dbraw/zinc/81/20/74/1040812074.db2.gz IZJRBBWVNVCZAH-AEFFLSMTSA-N 1 0 355.394 2.741 20 5 FFBDRO CCS(=O)(=O)c1ccc(C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC001254578421 1040812514 /nfs/dbraw/zinc/81/25/14/1040812514.db2.gz LDURUCMHEYSGOC-INIZCTEOSA-N 1 0 360.435 2.645 20 5 FFBDRO O=C(c1ccccc1F)N1CC[C@H]([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254583888 1040816996 /nfs/dbraw/zinc/81/69/96/1040816996.db2.gz DPYNMFPQSDDNBX-JKSUJKDBSA-N 1 0 369.396 2.705 20 5 FFBDRO CC1(COc2ccc(C[NH2+][C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)cn2)COC1 ZINC001254585699 1040818979 /nfs/dbraw/zinc/81/89/79/1040818979.db2.gz FBPPNJMRJJYGBW-QGZVFWFLSA-N 1 0 369.421 2.662 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1C[C@H]3CN(Cc4ccccn4)C[C@H]3C1)C2 ZINC001254596680 1040823830 /nfs/dbraw/zinc/82/38/30/1040823830.db2.gz QETVJCVPVMIFKN-LVCYWYKZSA-N 1 0 364.449 2.521 20 5 FFBDRO COc1cccc(N2CC[NH+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC2)c1 ZINC001254597895 1040827855 /nfs/dbraw/zinc/82/78/55/1040827855.db2.gz IXECEYYQWSCEKR-IBGZPJMESA-N 1 0 353.422 2.893 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CC[C@@]3(C[C@@H](OCC4CC4)CO3)C1)C2 ZINC001254599925 1040829120 /nfs/dbraw/zinc/82/91/20/1040829120.db2.gz MVANZBUKBBWDBR-VAMGGRTRSA-N 1 0 358.438 2.722 20 5 FFBDRO COc1cccc(O[C@H]2CC[N@@H+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)n1 ZINC001254610259 1040839467 /nfs/dbraw/zinc/83/94/67/1040839467.db2.gz ISCXLIFGQDZQNH-SJORKVTESA-N 1 0 355.394 2.619 20 5 FFBDRO CC(C)N1CCC2(CC[NH+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC2)C1=O ZINC001254610330 1040840261 /nfs/dbraw/zinc/84/02/61/1040840261.db2.gz JPWKAGLFOJANKX-GOSISDBHSA-N 1 0 357.454 2.785 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(C)cc1-c1noc(-c2c[nH]nc2[C@H]2CC[NH2+]C2)n1 ZINC001261661597 1041357590 /nfs/dbraw/zinc/35/75/90/1041357590.db2.gz WFWKKWZXQAHBOB-NSHDSACASA-N 1 0 354.370 2.729 20 5 FFBDRO CSCCCCC(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001262812354 1041872179 /nfs/dbraw/zinc/87/21/79/1041872179.db2.gz SKEQVPCEVLJBHD-UHFFFAOYSA-N 1 0 366.487 2.818 20 5 FFBDRO C[C@H](c1nnc(N(C)C[C@H]2CCCC[N@@H+]2Cc2ccccc2)n1C)[N+](=O)[O-] ZINC001262863738 1041910773 /nfs/dbraw/zinc/91/07/73/1041910773.db2.gz OLBRMCXTUFOWKT-NVXWUHKLSA-N 1 0 372.473 2.644 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC(C)(C)[NH2+]C(C)(C)C1 ZINC001216797164 1042125667 /nfs/dbraw/zinc/12/56/67/1042125667.db2.gz UIJIIUVZKVSZDZ-UHFFFAOYSA-N 1 0 350.419 2.988 20 5 FFBDRO [NH3+]C[C@]12CC[C@@H]1CCCN2C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC001263238514 1042192585 /nfs/dbraw/zinc/19/25/85/1042192585.db2.gz MYFAELNTWDZOON-ZUZCIYMTSA-N 1 0 368.231 2.701 20 5 FFBDRO CCN(C(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC001263324683 1042241176 /nfs/dbraw/zinc/24/11/76/1042241176.db2.gz ZNDWCZBOXVMQHR-LLVKDONJSA-N 1 0 355.822 2.616 20 5 FFBDRO CN(C)c1cc(F)c(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)cc1[N+](=O)[O-] ZINC001264932041 1042832318 /nfs/dbraw/zinc/83/23/18/1042832318.db2.gz AJNHWSFZZAYEJO-UHFFFAOYSA-N 1 0 370.344 2.633 20 5 FFBDRO C[NH+]1CCC2(CCC(NS(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC001309540228 1043427456 /nfs/dbraw/zinc/42/74/56/1043427456.db2.gz WJDAWXZOPZRXCD-UHFFFAOYSA-N 1 0 367.471 2.528 20 5 FFBDRO Cc1cc(S(=O)(=O)N(C)C(C)(C)C[NH+]2CCCC2)c(F)cc1[N+](=O)[O-] ZINC001309607204 1043452309 /nfs/dbraw/zinc/45/23/09/1043452309.db2.gz RIRIQPFAHFXMHQ-UHFFFAOYSA-N 1 0 373.450 2.537 20 5 FFBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001310520083 1043699889 /nfs/dbraw/zinc/69/98/89/1043699889.db2.gz VSZWXIMHVRJQHH-MRXNPFEDSA-N 1 0 369.425 2.506 20 5 FFBDRO Cc1c(C(=O)N[C@@H]2CCCC[C@@H]2[NH+](C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC001318411551 1045294554 /nfs/dbraw/zinc/29/45/54/1045294554.db2.gz BOXMNVPYWFVSBJ-KGLIPLIRSA-N 1 0 364.402 2.722 20 5 FFBDRO Cn1cc(N2CC[C@@H]([NH2+][C@@H]3CC(C)(C)c4ccc([N+](=O)[O-])cc43)C2)cn1 ZINC001320989857 1045507824 /nfs/dbraw/zinc/50/78/24/1045507824.db2.gz UPODGLGUWPUVFD-FZKQIMNGSA-N 1 0 355.442 2.919 20 5 FFBDRO CS[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)C[C@H]1[NH+](C)C ZINC001321060999 1045528369 /nfs/dbraw/zinc/52/83/69/1045528369.db2.gz TWAHAJPIBBPWIF-OLZOCXBDSA-N 1 0 358.851 2.758 20 5 FFBDRO C[N@@H+]1CC[C@@](O)(CNCc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC001321128752 1045555893 /nfs/dbraw/zinc/55/58/93/1045555893.db2.gz AUIZIHPIZFBSOC-QGZVFWFLSA-N 1 0 365.817 2.664 20 5 FFBDRO COc1cc(N2CCCN(Cc3cc(C)on3)CC2)c([N+](=O)[O-])cc1F ZINC001323803047 1045731558 /nfs/dbraw/zinc/73/15/58/1045731558.db2.gz UKPWZFSBCQZORP-UHFFFAOYSA-N 1 0 364.377 2.751 20 5 FFBDRO Cc1c([C@@H](C)[NH2+]CCN2C(=O)COc3ccccc32)cccc1[N+](=O)[O-] ZINC001324843369 1046251244 /nfs/dbraw/zinc/25/12/44/1046251244.db2.gz YTACJSKHIQCBFX-CQSZACIVSA-N 1 0 355.394 2.979 20 5 FFBDRO CC1CC[NH+](CCc2nnc(CCNc3ccccc3[N+](=O)[O-])o2)CC1 ZINC001322932857 1046277378 /nfs/dbraw/zinc/27/73/78/1046277378.db2.gz ZCKYYGRWYUFIQD-UHFFFAOYSA-N 1 0 359.430 2.907 20 5 FFBDRO [NH3+]C1(CNC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)C2CC3CC(C2)CC1C3 ZINC001325325188 1046470366 /nfs/dbraw/zinc/47/03/66/1046470366.db2.gz LEPUIUOCTKTKTN-UHFFFAOYSA-N 1 0 370.453 2.774 20 5 FFBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)[C@@H]3C[C@H]3C(C)(C)C)c2)CC1 ZINC001289292637 1047619047 /nfs/dbraw/zinc/61/90/47/1047619047.db2.gz HXRRGPHUHFACHQ-HUUCEWRRSA-N 1 0 360.458 2.967 20 5 FFBDRO CCOP(=O)(OCC)[C@@H](O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001327511190 1047928423 /nfs/dbraw/zinc/92/84/23/1047928423.db2.gz DRBQZSJGOLOOFQ-OAHLLOKOSA-N 1 0 358.331 2.537 20 5 FFBDRO CN1CCO[C@H](CSc2ncnc3c(Cl)cc([N+](=O)[O-])cc23)C1 ZINC001327713246 1048008783 /nfs/dbraw/zinc/00/87/83/1048008783.db2.gz ABXCGZFMWHXNLN-JTQLQIEISA-N 1 0 354.819 2.614 20 5 FFBDRO COc1ccc([C@@H]2C[NH2+]CCN2C(=O)c2cc(F)ccc2[N+](=O)[O-])cc1 ZINC001332034742 1048221708 /nfs/dbraw/zinc/22/17/08/1048221708.db2.gz SCHJFVZWIIWYSI-KRWDZBQOSA-N 1 0 359.357 2.529 20 5 FFBDRO [NH3+][C@@]12CCC[C@H]1CN(C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)C2 ZINC001328587088 1048369097 /nfs/dbraw/zinc/36/90/97/1048369097.db2.gz AJJUPGDTIHGACM-IFXJQAMLSA-N 1 0 358.442 2.539 20 5 FFBDRO C[NH+]1CCC2(CCN(C(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)CC2)CC1 ZINC001329577539 1048785891 /nfs/dbraw/zinc/78/58/91/1048785891.db2.gz CMRWWOFEQHHQFL-UHFFFAOYSA-N 1 0 370.453 2.884 20 5 FFBDRO Cc1nc(Nc2ccc(N3CC[N@@H+]4CCC[C@H]4C3)cc2)ncc1[N+](=O)[O-] ZINC001333587384 1048992276 /nfs/dbraw/zinc/99/22/76/1048992276.db2.gz JPYIKULFFSUOGM-INIZCTEOSA-N 1 0 354.414 2.721 20 5 FFBDRO O=C(NCc1ccc(Br)cc1[N+](=O)[O-])[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC001333731149 1049086041 /nfs/dbraw/zinc/08/60/41/1049086041.db2.gz PADNJQLWUBHZFD-CHWSQXEVSA-N 1 0 368.231 2.504 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)CCC(=O)c3cccc([N+](=O)[O-])c3)C[C@H]2C1 ZINC001333927428 1049171383 /nfs/dbraw/zinc/17/13/83/1049171383.db2.gz CTABYLHMXDVRIA-BRWVUGGUSA-N 1 0 373.453 2.746 20 5 FFBDRO O=C([C@@H](O)c1cccc([N+](=O)[O-])c1)N(CC[NH+]1CCCC1)c1ccccc1 ZINC001330573297 1049211167 /nfs/dbraw/zinc/21/11/67/1049211167.db2.gz YZAUZFRDNRVWNC-IBGZPJMESA-N 1 0 369.421 2.757 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(c3ccc([N+](=O)[O-])cc3N3CCOC3=O)C[C@@H]2C1 ZINC001334337887 1049378073 /nfs/dbraw/zinc/37/80/73/1049378073.db2.gz VZKIONYTZVVLQV-QLFBSQMISA-N 1 0 374.441 2.718 20 5 FFBDRO CC1(C)[C@H](NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])[C@H]2CCC[NH2+][C@H]21 ZINC001330916931 1049391313 /nfs/dbraw/zinc/39/13/13/1049391313.db2.gz ILFASFLDDPEAIU-AMKSKSKJSA-N 1 0 369.824 2.823 20 5 FFBDRO CC(C)[C@@H](C(=O)NCc1ccc(Br)cc1[N+](=O)[O-])[C@@H](C)[NH3+] ZINC001330961485 1049412707 /nfs/dbraw/zinc/41/27/07/1049412707.db2.gz RVQRXWQLSLGHMP-NOZJJQNGSA-N 1 0 358.236 2.593 20 5 FFBDRO CCc1nnc(N(C)Cc2ccccc2[N+](=O)[O-])n1CC[N@H+](C)C(C)C ZINC001292841643 1049413231 /nfs/dbraw/zinc/41/32/31/1049413231.db2.gz YVROMGJAWVTNIG-UHFFFAOYSA-N 1 0 360.462 2.725 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)C(F)(F)c3ccc([N+](=O)[O-])cc3)C[C@H]2C1 ZINC001334446103 1049426668 /nfs/dbraw/zinc/42/66/68/1049426668.db2.gz WPMRWDJRVOGJNT-WOSRLPQWSA-N 1 0 367.396 2.875 20 5 FFBDRO C[NH+](C)CCN(C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1)C1CCCC1 ZINC001292958599 1049449000 /nfs/dbraw/zinc/44/90/00/1049449000.db2.gz XQELUNJBSMQEJK-UHFFFAOYSA-N 1 0 354.838 2.777 20 5 FFBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)CC1 ZINC001334668599 1049516134 /nfs/dbraw/zinc/51/61/34/1049516134.db2.gz JSQWUFLCXQWTNR-QRWLVFNGSA-N 1 0 372.469 2.785 20 5 FFBDRO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001295966505 1050005742 /nfs/dbraw/zinc/00/57/42/1050005742.db2.gz MMSWIYBBNXLMCM-UHFFFAOYSA-N 1 0 365.821 2.612 20 5 FFBDRO CC1(C)CCC[N@H+](CCNC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C1 ZINC001297065162 1050117283 /nfs/dbraw/zinc/11/72/83/1050117283.db2.gz FSIFQYMUGFICPD-UHFFFAOYSA-N 1 0 371.441 2.837 20 5 FFBDRO O=C(CCc1cc(F)ccc1[N+](=O)[O-])N1CC[NH2+]C[C@H]1c1ccccc1 ZINC001341943435 1050539172 /nfs/dbraw/zinc/53/91/72/1050539172.db2.gz LUTGXXFXAWIAFF-SFHVURJKSA-N 1 0 357.385 2.840 20 5 FFBDRO CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1Br)[C@H]1CCC[NH2+]C1 ZINC001342279601 1050872551 /nfs/dbraw/zinc/87/25/51/1050872551.db2.gz VJTXIWPMOJEAAT-ZDUSSCGKSA-N 1 0 370.247 2.500 20 5 FFBDRO O=C(NCC12CCC[NH+](CCC1)C2)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC001301839455 1051000834 /nfs/dbraw/zinc/00/08/34/1051000834.db2.gz JIVOHJWGNADVRH-UHFFFAOYSA-N 1 0 358.442 2.775 20 5 FFBDRO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C[C@H]1CC[NH3+] ZINC001342530599 1051134668 /nfs/dbraw/zinc/13/46/68/1051134668.db2.gz QFSSINCGEOPBSF-HUUCEWRRSA-N 1 0 360.458 2.642 20 5 FFBDRO O=[N+]([O-])c1ccc(-n2ccc(-c3nc([C@@H]4C[NH+]5CCC4CC5)no3)n2)cc1 ZINC001342547143 1051151138 /nfs/dbraw/zinc/15/11/38/1051151138.db2.gz SFDKUDZNQCPSSO-OAHLLOKOSA-N 1 0 366.381 2.640 20 5 FFBDRO Cc1nnc(N2CCc3ccc([N+](=O)[O-])cc3C2)n1CC(C)(C)C[NH+](C)C ZINC001304833757 1051730870 /nfs/dbraw/zinc/73/08/70/1051730870.db2.gz XGOLOQVHNUEQIX-UHFFFAOYSA-N 1 0 372.473 2.645 20 5 FFBDRO O=C(OC[C@H]1CC[N@@H+]1C1CCOCC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001344932866 1052142772 /nfs/dbraw/zinc/14/27/72/1052142772.db2.gz WLRXLHLWLDSJSA-CYBMUJFWSA-N 1 0 354.790 2.658 20 5 FFBDRO C[C@H]1CN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC[C@@H]1C[NH3+] ZINC001345009149 1052196213 /nfs/dbraw/zinc/19/62/13/1052196213.db2.gz CMLABELJLKYRHX-JKSUJKDBSA-N 1 0 363.461 2.598 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@]23C[N@H+](C)C[C@@]2(C1)CCCC3 ZINC001345039475 1052214791 /nfs/dbraw/zinc/21/47/91/1052214791.db2.gz QKAWKUIEMQSSRN-KDURUIRLSA-N 1 0 374.441 2.943 20 5 FFBDRO CN(CCN1CC[NH+](Cc2ccccc2)CC1)c1ccccc1[N+](=O)[O-] ZINC001307118457 1052253420 /nfs/dbraw/zinc/25/34/20/1052253420.db2.gz KZSNTGOMVLKUJO-UHFFFAOYSA-N 1 0 354.454 2.849 20 5 FFBDRO COc1ccc(NC(=O)C[NH2+]C2([C@@H]3CCCCO3)CCC2)c([N+](=O)[O-])c1 ZINC001308029795 1052387969 /nfs/dbraw/zinc/38/79/69/1052387969.db2.gz VDMIFFLMGIFESZ-INIZCTEOSA-N 1 0 363.414 2.623 20 5 FFBDRO [NH3+]CC1([C@H]2CCCCN2C(=O)CCOc2ccccc2[N+](=O)[O-])CCC1 ZINC001345370654 1052409037 /nfs/dbraw/zinc/40/90/37/1052409037.db2.gz MFXRVEZZMVNIKH-QGZVFWFLSA-N 1 0 361.442 2.874 20 5 FFBDRO COCC[C@@H](C[NH2+]CCc1ccc([N+](=O)[O-])cc1)NC(=O)OC(C)(C)C ZINC001308254794 1052437688 /nfs/dbraw/zinc/43/76/88/1052437688.db2.gz XAPBQKOGEFPVJS-HNNXBMFYSA-N 1 0 367.446 2.657 20 5 FFBDRO COc1cc(C[NH2+]C[C@@H]2CCN2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC001308530702 1052465714 /nfs/dbraw/zinc/46/57/14/1052465714.db2.gz NUUMQGCDNWLCHT-SFHVURJKSA-N 1 0 371.437 2.976 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)[NH2+][C@H]2CCC[C@H](c3cccnc3)C2)cc1 ZINC001308932466 1052522288 /nfs/dbraw/zinc/52/22/88/1052522288.db2.gz YPGIGIKWIPMAFC-SMMRIJLZSA-N 1 0 371.437 2.700 20 5 FFBDRO CC(C)C[C@@H](CN(C)C)[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001308970029 1052529118 /nfs/dbraw/zinc/52/91/18/1052529118.db2.gz ADFLKMRGGOXVLX-HOCLYGCPSA-N 1 0 350.463 2.878 20 5 FFBDRO O=C(O[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC001345925565 1052673536 /nfs/dbraw/zinc/67/35/36/1052673536.db2.gz UGOXXYGAUGYNAB-CHWSQXEVSA-N 1 0 362.382 2.540 20 5 FFBDRO COC(=O)C1(C2(O)CC[NH+]([C@H](C)c3ccccc3[N+](=O)[O-])CC2)CCC1 ZINC001334747679 1053058446 /nfs/dbraw/zinc/05/84/46/1053058446.db2.gz KEVLDUXONXZJJW-CQSZACIVSA-N 1 0 362.426 2.826 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)C[C@H]2C1 ZINC001335234978 1053266187 /nfs/dbraw/zinc/26/61/87/1053266187.db2.gz PFGTWSJLUQOYTR-ZMSDIMECSA-N 1 0 372.469 2.971 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)C[C@@H]2C1 ZINC001335343931 1053306956 /nfs/dbraw/zinc/30/69/56/1053306956.db2.gz ZNKBAKDYBCRNDA-HZSPNIEDSA-N 1 0 356.426 2.878 20 5 FFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@@](O)(c2ccccc2)C(F)(F)F)c1 ZINC001335367784 1053319415 /nfs/dbraw/zinc/31/94/15/1053319415.db2.gz VQSHJGBOQSDFKX-JKSUJKDBSA-N 1 0 370.327 2.668 20 5 FFBDRO Cn1ncc([N+](=O)[O-])c1N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC001335442050 1053367173 /nfs/dbraw/zinc/36/71/73/1053367173.db2.gz VTHHSUALZFKUSH-IRXDYDNUSA-N 1 0 355.442 2.819 20 5 FFBDRO C[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cn1 ZINC001335484680 1053394792 /nfs/dbraw/zinc/39/47/92/1053394792.db2.gz ZHBVHGVSMCPBQT-SMDDNHRTSA-N 1 0 351.790 2.734 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)Nc3ccc([N+](=O)[O-])cc3F)C[C@@H]2C1 ZINC001336273967 1053890178 /nfs/dbraw/zinc/89/01/78/1053890178.db2.gz ZBVUBBSQKCNRCI-RWMBFGLXSA-N 1 0 350.394 2.928 20 5 FFBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1Nc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC001336560206 1054062726 /nfs/dbraw/zinc/06/27/26/1054062726.db2.gz FBULVXIDCIYTAW-CXAGYDPISA-N 1 0 358.442 2.725 20 5 FFBDRO C[C@](O)(C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 ZINC001336794870 1054232372 /nfs/dbraw/zinc/23/23/72/1054232372.db2.gz ONGKVOVYWQJAQZ-SJORKVTESA-N 1 0 350.802 2.779 20 5 FFBDRO CCC1([NH3+])CCN(C(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])CC1 ZINC001337058991 1054446235 /nfs/dbraw/zinc/44/62/35/1054446235.db2.gz GAGSFSBMKMGRJC-UHFFFAOYSA-N 1 0 353.444 2.669 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@H]2CN(c3c(Br)cncc3[N+](=O)[O-])C[C@H]2C1 ZINC001352098506 1055190342 /nfs/dbraw/zinc/19/03/42/1055190342.db2.gz HTDOHPYIVYLZGR-QJPTWQEYSA-N 1 0 369.263 2.919 20 5 FFBDRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C1 ZINC000847183552 1055195804 /nfs/dbraw/zinc/19/58/04/1055195804.db2.gz PLEDZODBLSZBIR-FZNQNYSPSA-N 1 0 360.458 2.655 20 5 FFBDRO CN(C)c1cc(F)c(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000847254990 1055322534 /nfs/dbraw/zinc/32/25/34/1055322534.db2.gz IGNYBJMAUCTYED-GJZGRUSLSA-N 1 0 364.421 2.547 20 5 FFBDRO CC[NH+](CC)C1CCN(C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)CC1 ZINC001349838339 1055495638 /nfs/dbraw/zinc/49/56/38/1055495638.db2.gz IBMZAWGGTKEVTC-UHFFFAOYSA-N 1 0 371.384 2.899 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1 ZINC001352760269 1055773310 /nfs/dbraw/zinc/77/33/10/1055773310.db2.gz ITAXHVFFOGTQJS-MELADBBJSA-N 1 0 362.430 2.797 20 5 FFBDRO C[C@@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(Cl)cn1 ZINC001357127156 1055786122 /nfs/dbraw/zinc/78/61/22/1055786122.db2.gz SYMHWITXSBGEBA-YPMHNXCESA-N 1 0 351.790 2.734 20 5 FFBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N(C)c1ccc(OCC[NH+](C)C)cc1 ZINC001338859635 1055878618 /nfs/dbraw/zinc/87/86/18/1055878618.db2.gz BETQALMHDMDTJR-UHFFFAOYSA-N 1 0 372.425 2.854 20 5 FFBDRO C[C@H](CC(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-])n1cccc1 ZINC001339184722 1056178393 /nfs/dbraw/zinc/17/83/93/1056178393.db2.gz KHXVGGWBCSPAPD-OAHLLOKOSA-N 1 0 371.441 2.738 20 5 FFBDRO CCOC(=O)c1ccnc(NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000609964625 1056426481 /nfs/dbraw/zinc/42/64/81/1056426481.db2.gz NPRGKIPQAVNNJE-KBPBESRZSA-N 1 0 364.446 2.946 20 5 FFBDRO Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)OCC[C@H]2CC[N@@H+](C)C2)c1 ZINC000847819790 1056678208 /nfs/dbraw/zinc/67/82/08/1056678208.db2.gz SOEYBOJEGOZCAR-OAHLLOKOSA-N 1 0 372.425 2.647 20 5 FFBDRO C[C@H](COC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)[NH+]1CCCCC1 ZINC000847961389 1058523004 /nfs/dbraw/zinc/52/30/04/1058523004.db2.gz WTNWFNKSLKQKAH-CQSZACIVSA-N 1 0 358.398 2.812 20 5 FFBDRO O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001354571196 1059181602 /nfs/dbraw/zinc/18/16/02/1059181602.db2.gz UVBYSZVNDHVDPK-YTQUADARSA-N 1 0 351.406 2.529 20 5 FFBDRO Cc1c(C[NH2+]CCCN2C(=O)COc3ccccc32)cccc1[N+](=O)[O-] ZINC001200844432 1059776134 /nfs/dbraw/zinc/77/61/34/1059776134.db2.gz HYDYHDHUVNCZHG-UHFFFAOYSA-N 1 0 355.394 2.809 20 5 FFBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000848486970 1060133017 /nfs/dbraw/zinc/13/30/17/1060133017.db2.gz OWSPWWJQKHJXHI-YJBOKZPZSA-N 1 0 355.442 2.974 20 5 FFBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000848486968 1060133886 /nfs/dbraw/zinc/13/38/86/1060133886.db2.gz OWSPWWJQKHJXHI-MAUKXSAKSA-N 1 0 355.442 2.974 20 5 FFBDRO CC(C)[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001457091768 1060274382 /nfs/dbraw/zinc/27/43/82/1060274382.db2.gz ZOVWMKGFIARFCA-YOEHRIQHSA-N 1 0 371.441 2.806 20 5 FFBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)C1 ZINC000848587281 1060316254 /nfs/dbraw/zinc/31/62/54/1060316254.db2.gz HRZGHRMPGHHNDO-CYBMUJFWSA-N 1 0 371.384 2.757 20 5 FFBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000848587247 1060317124 /nfs/dbraw/zinc/31/71/24/1060317124.db2.gz GVHNOIZTRMQDSH-ZDUSSCGKSA-N 1 0 371.384 2.757 20 5 FFBDRO O=C(OC[C@H]1CC[N@@H+]1C1CCOCC1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001517121113 1060353981 /nfs/dbraw/zinc/35/39/81/1060353981.db2.gz CSAFCRRHCJXIDI-GOSISDBHSA-N 1 0 374.437 2.813 20 5 FFBDRO Cc1cc(N[C@@H]2C[C@H]([NH+](C)C)C2(C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001458449160 1060593392 /nfs/dbraw/zinc/59/33/92/1060593392.db2.gz CFMROGJPEHIIIG-CVEARBPZSA-N 1 0 355.442 2.923 20 5 FFBDRO O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000848783793 1060688002 /nfs/dbraw/zinc/68/80/02/1060688002.db2.gz CYSGIBPJPMTPNY-MSOLQXFVSA-N 1 0 358.442 2.916 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)CC(C)(C)CNC(=O)OC(C)(C)C ZINC001459641850 1060788302 /nfs/dbraw/zinc/78/83/02/1060788302.db2.gz ZMYOGRFIKWRSTQ-UHFFFAOYSA-N 1 0 369.466 2.582 20 5 FFBDRO C[C@@](CO)([NH2+]CCC(=O)Nc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC001460623259 1061035670 /nfs/dbraw/zinc/03/56/70/1061035670.db2.gz YKDWGQZITSOHQA-SFHVURJKSA-N 1 0 361.373 2.560 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CCN1C[C@H]2C[N@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001460745987 1061086799 /nfs/dbraw/zinc/08/67/99/1061086799.db2.gz HQNKQEMASBULQA-AZUAARDMSA-N 1 0 369.469 2.554 20 5 FFBDRO Cc1ccc(Sc2ccc(C[NH2+]C[C@H](O)[C@@H](C)O)cc2[N+](=O)[O-])cc1 ZINC001461670188 1061372537 /nfs/dbraw/zinc/37/25/37/1061372537.db2.gz OYJLIIPRFLRAGM-DYVFJYSZSA-N 1 0 362.451 2.886 20 5 FFBDRO Nc1c(NC(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)cc(Cl)cc1[N+](=O)[O-] ZINC001476915805 1061509766 /nfs/dbraw/zinc/50/97/66/1061509766.db2.gz CFHWJWURBNQMOL-GFCCVEGCSA-N 1 0 367.837 2.969 20 5 FFBDRO CC(C)(C)CC[C@H](CO)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC001462150042 1061518646 /nfs/dbraw/zinc/51/86/46/1061518646.db2.gz HSDIOPZUYIAOKI-OAHLLOKOSA-N 1 0 350.463 2.735 20 5 FFBDRO [NH3+][C@H]1CN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CC[C@@H]1C(F)(F)F ZINC001522666957 1062246755 /nfs/dbraw/zinc/24/67/55/1062246755.db2.gz LAWCAOABIQNXRS-WPRPVWTQSA-N 1 0 351.712 2.600 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCCC[C@@H]1[C@H](C)C[NH+](C)C ZINC001464166996 1062459866 /nfs/dbraw/zinc/45/98/66/1062459866.db2.gz LMDQKDVBTKNFNX-HUUCEWRRSA-N 1 0 369.487 2.644 20 5 FFBDRO CSC1(CNC(=O)c2cc([N+](=O)[O-])c(F)cc2C)CC[NH+](C)CC1 ZINC001436576251 1062738124 /nfs/dbraw/zinc/73/81/24/1062738124.db2.gz WGMLMLNRHIFTOB-UHFFFAOYSA-N 1 0 355.435 2.600 20 5 FFBDRO C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2N)CC[N@@H+]1Cc1ccccc1 ZINC001465619771 1063157501 /nfs/dbraw/zinc/15/75/01/1063157501.db2.gz AAQULNOJVCOACW-GDBMZVCRSA-N 1 0 368.437 2.960 20 5 FFBDRO CCN(CC[NH2+]Cc1ccc(-c2ccccc2)cc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001497389978 1063702570 /nfs/dbraw/zinc/70/25/70/1063702570.db2.gz CSDWRDGRBJZAFJ-WOJBJXKFSA-N 1 0 367.449 2.957 20 5 FFBDRO CC(C)(C[NH+]1CCCC1)NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC001469099677 1064090362 /nfs/dbraw/zinc/09/03/62/1064090362.db2.gz NDDLHEWLDXQYBO-UHFFFAOYSA-N 1 0 358.801 2.574 20 5 FFBDRO CC[N@H+](C)[C@@H]1CCN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001469560226 1064168240 /nfs/dbraw/zinc/16/82/40/1064168240.db2.gz QVWOPMLJGOQXLI-CQSZACIVSA-N 1 0 354.838 2.526 20 5 FFBDRO CC(C)[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC001472327333 1065016993 /nfs/dbraw/zinc/01/69/93/1065016993.db2.gz FSXBFZLRVLQPKL-WMZOPIPTSA-N 1 0 361.442 2.695 20 5 FFBDRO CC(C)[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC001472328635 1065018171 /nfs/dbraw/zinc/01/81/71/1065018171.db2.gz PRJVOJRLFLAEDH-FUHWJXTLSA-N 1 0 361.442 2.695 20 5 FFBDRO COc1ccc2ncc([N+](=O)[O-])c(N3CCN(c4cc[nH+]cc4)CC3)c2c1 ZINC001472644097 1065119263 /nfs/dbraw/zinc/11/92/63/1065119263.db2.gz PNDXJZJYNZXWAC-UHFFFAOYSA-N 1 0 365.393 2.873 20 5 FFBDRO C[C@@H](c1ccccc1)[N@H+](CCO)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001473293786 1065236336 /nfs/dbraw/zinc/23/63/36/1065236336.db2.gz ZQTWBOUYGOKRKP-HNNXBMFYSA-N 1 0 357.410 2.979 20 5 FFBDRO C[C@]([NH3+])(C(=O)NCc1ccnc2ccccc12)c1cccc([N+](=O)[O-])c1 ZINC001576084825 1078194125 /nfs/dbraw/zinc/19/41/25/1078194125.db2.gz FRORFQLVCSAAEJ-LJQANCHMSA-N 1 0 350.378 2.633 20 5 FFBDRO COc1ccc(C[NH2+]Cc2cn(C)nc2-c2ccncc2)cc1[N+](=O)[O-] ZINC001473987317 1065434568 /nfs/dbraw/zinc/43/45/68/1065434568.db2.gz NNHJRLQTUZLCJE-UHFFFAOYSA-N 1 0 353.382 2.689 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC001576282713 1078212332 /nfs/dbraw/zinc/21/23/32/1078212332.db2.gz GWVCISUGGLJDMD-YPMHNXCESA-N 1 0 355.822 2.745 20 5 FFBDRO COc1c(O)ccc(C[NH2+]CCCCNC(=O)OC(C)(C)C)c1[N+](=O)[O-] ZINC001474435693 1065522639 /nfs/dbraw/zinc/52/26/39/1065522639.db2.gz JTTZNGRMSSPJLK-UHFFFAOYSA-N 1 0 369.418 2.704 20 5 FFBDRO C[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2=CC[NH2+]CC2)C1 ZINC001576738643 1078268808 /nfs/dbraw/zinc/26/88/08/1078268808.db2.gz XKDSUUSVUCYJBT-CQSZACIVSA-N 1 0 368.441 2.619 20 5 FFBDRO CC[NH2+]CC1CCN(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)CC1 ZINC001577834106 1078406458 /nfs/dbraw/zinc/40/64/58/1078406458.db2.gz NIPYVZVHBUCUKV-UHFFFAOYSA-N 1 0 357.414 2.996 20 5 FFBDRO C[NH2+]C[C@H](C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)C1CCC1 ZINC001578628824 1078505691 /nfs/dbraw/zinc/50/56/91/1078505691.db2.gz HHYXWHSIIQCZOV-ZDUSSCGKSA-N 1 0 358.446 2.698 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC([C@@H]2[NH2+]CC23CCC3)CC1 ZINC001579178706 1078581267 /nfs/dbraw/zinc/58/12/67/1078581267.db2.gz ATZMOWFRSJMXCN-KRWDZBQOSA-N 1 0 359.426 2.598 20 5 FFBDRO COc1ccc([C@@H](C[NH3+])Cn2cc([N+](=O)[O-])c(=O)c3ccccc32)cc1 ZINC001579193515 1078585424 /nfs/dbraw/zinc/58/54/24/1078585424.db2.gz FGOXTQYABSWVSQ-AWEZNQCLSA-N 1 0 353.378 2.661 20 5 FFBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC001579515897 1078638095 /nfs/dbraw/zinc/63/80/95/1078638095.db2.gz FEZMJZSXVHASDN-NXEZZACHSA-N 1 0 356.220 2.523 20 5 FFBDRO [NH3+][C@H](CCNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)Cc1ccccc1 ZINC001580127052 1078752932 /nfs/dbraw/zinc/75/29/32/1078752932.db2.gz GZZJWPNCXQNRMF-OAHLLOKOSA-N 1 0 352.394 2.766 20 5 FFBDRO C[C@@H]1C[C@H]2CC[C@@H](C(=O)NCc3cc([N+](=O)[O-])c(F)cc3F)C[N@@H+]2C1 ZINC001557207951 1075822394 /nfs/dbraw/zinc/82/23/94/1075822394.db2.gz GLOGPCTUGLUVII-NQBHXWOUSA-N 1 0 353.369 2.610 20 5 FFBDRO CCC[N@@H+]1CCCC[C@H]1C(=O)NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001558316373 1075978592 /nfs/dbraw/zinc/97/85/92/1075978592.db2.gz XFAXTOXKZQSKQB-KRWDZBQOSA-N 1 0 373.457 2.784 20 5 FFBDRO CC[N@@H+]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)C(C)(C)C1 ZINC001558527873 1076025255 /nfs/dbraw/zinc/02/52/55/1076025255.db2.gz SWOFYSQCOSGMQW-CQSZACIVSA-N 1 0 364.402 2.580 20 5 FFBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)Nc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC001559080733 1076123893 /nfs/dbraw/zinc/12/38/93/1076123893.db2.gz SFLVBJFRNGERJM-ZIAGYGMSSA-N 1 0 358.442 2.979 20 5 FFBDRO O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1Nc1cnn(-c2cc[nH+]cc2)c1 ZINC001559095285 1076125152 /nfs/dbraw/zinc/12/51/52/1076125152.db2.gz VQJJLAMUMMZAFU-UHFFFAOYSA-N 1 0 364.365 2.811 20 5 FFBDRO C[C@@H](CNc1c2cc(Cl)ccc2ncc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC001559115399 1076127252 /nfs/dbraw/zinc/12/72/52/1076127252.db2.gz VVAHCPNYSYGTNF-LBPRGKRZSA-N 1 0 364.833 2.599 20 5 FFBDRO C[C@H]1CCCC[C@@H]1[N@H+](C)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001559751936 1076187946 /nfs/dbraw/zinc/18/79/46/1076187946.db2.gz OVYXPFHFHOPEAB-LPHOPBHVSA-N 1 0 374.485 2.754 20 5 FFBDRO CC(C)(C)OC(=O)NCCOCC[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC001559868003 1076197055 /nfs/dbraw/zinc/19/70/55/1076197055.db2.gz HYYBKCVIRJOQSW-UHFFFAOYSA-N 1 0 367.446 2.961 20 5 FFBDRO C[C@@H]([NH2+]C[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC001560131860 1076232847 /nfs/dbraw/zinc/23/28/47/1076232847.db2.gz MCVLQODVVKXEBS-ACJLOTCBSA-N 1 0 365.430 2.617 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(CN2CCC([NH2+]C3CCOCC3)CC2)c(F)c1 ZINC001560140325 1076234113 /nfs/dbraw/zinc/23/41/13/1076234113.db2.gz SCFGHVLAJZSBEB-UHFFFAOYSA-N 1 0 355.385 2.606 20 5 FFBDRO CCNC(=O)OC[C@H]1CCCCN1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC001560827728 1076302663 /nfs/dbraw/zinc/30/26/63/1076302663.db2.gz XMGGHFMLGZMJTK-CYBMUJFWSA-N 1 0 362.386 2.837 20 5 FFBDRO COc1c(O)ccc(C[NH2+]C[C@@H](O)c2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC001560854288 1076304691 /nfs/dbraw/zinc/30/46/91/1076304691.db2.gz FWFFWDDPWCZCCO-CQSZACIVSA-N 1 0 352.774 2.786 20 5 FFBDRO Cc1cccc(CN2CCO[C@H](C[NH2+]CCc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC001560972680 1076315337 /nfs/dbraw/zinc/31/53/37/1076315337.db2.gz UXQKWOISOMMNST-OAQYLSRUSA-N 1 0 369.465 2.936 20 5 FFBDRO CCCC[N@H+](C)C[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC001561617206 1076399275 /nfs/dbraw/zinc/39/92/75/1076399275.db2.gz AHENPIMAUVXEFJ-CQSZACIVSA-N 1 0 357.476 2.610 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCC1CC[NH+](C(C)C)CC1 ZINC001561797009 1076424674 /nfs/dbraw/zinc/42/46/74/1076424674.db2.gz TZSYAWDOXKPSET-UHFFFAOYSA-N 1 0 369.487 2.692 20 5 FFBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC001562587477 1076505992 /nfs/dbraw/zinc/50/59/92/1076505992.db2.gz GDGPNEHVTAUEHQ-SUMWQHHRSA-N 1 0 357.414 2.533 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)n1 ZINC001566630064 1076972330 /nfs/dbraw/zinc/97/23/30/1076972330.db2.gz XDHBLLGWXGFTEH-AWEZNQCLSA-N 1 0 369.425 2.649 20 5 FFBDRO CCOc1cc(C(=O)N[C@@H]2CCC[N@@H+](C(C)C)C2)c([N+](=O)[O-])cc1OC ZINC001567354556 1077020261 /nfs/dbraw/zinc/02/02/61/1077020261.db2.gz FBGUMFYXYRXJJN-CYBMUJFWSA-N 1 0 365.430 2.605 20 5 FFBDRO CC(C)[N@@H+]1CCC[C@@H](NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC001567356436 1077020833 /nfs/dbraw/zinc/02/08/33/1077020833.db2.gz VYNUYBDQCYLGAZ-CYBMUJFWSA-N 1 0 370.247 2.960 20 5 FFBDRO Cc1cccc(CCC[NH2+]CC2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCCC2)c1 ZINC001567998746 1077065206 /nfs/dbraw/zinc/06/52/06/1077065206.db2.gz YHQTZQSPVQSICC-QZTJIDSGSA-N 1 0 359.470 2.611 20 5 FFBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1ccc([N+](=O)[O-])c(-c2nn[nH]n2)c1 ZINC001590187259 1081077892 /nfs/dbraw/zinc/07/78/92/1081077892.db2.gz IHVISSFLQRRTMA-JHJVBQTASA-N 1 0 359.434 2.553 20 5 FFBDRO COc1cc[nH+]c(N2CCN(C(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)c1 ZINC000104977046 250191611 /nfs/dbraw/zinc/19/16/11/250191611.db2.gz WLGWBYGUVLQILQ-UHFFFAOYSA-N 1 0 371.397 2.661 20 5 FFBDRO Cn1cc(C[NH2+]C[C@@H](O)Cc2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000105493001 250214693 /nfs/dbraw/zinc/21/46/93/250214693.db2.gz RLECJHFNVWSJOL-IBGZPJMESA-N 1 0 366.421 2.689 20 5 FFBDRO COc1cc(C[NH2+]C[C@]2(O)CCc3ccccc32)c([N+](=O)[O-])cc1OC ZINC000132161475 251050660 /nfs/dbraw/zinc/05/06/60/251050660.db2.gz NOBBKSLBLQWQCH-LJQANCHMSA-N 1 0 358.394 2.536 20 5 FFBDRO NC(=O)c1ccc(C[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000181183981 251253321 /nfs/dbraw/zinc/25/33/21/251253321.db2.gz PZFVUFMVGXKASO-RDTXWAMCSA-N 1 0 369.421 2.951 20 5 FFBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)[C@H]2C1 ZINC000272383879 252025508 /nfs/dbraw/zinc/02/55/08/252025508.db2.gz CCDKXXOIKPULTE-WBMJQRKESA-N 1 0 372.450 2.885 20 5 FFBDRO Cn1ccnc1[C@@H](NCC[N@H+](C)C1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000272475880 252047157 /nfs/dbraw/zinc/04/71/57/252047157.db2.gz BEZDINIIJMEIEW-SFHVURJKSA-N 1 0 357.458 2.882 20 5 FFBDRO COc1cc(C[NH2+]CCC[C@@H](C)CO)c([N+](=O)[O-])cc1OCC(F)F ZINC000272484898 252049902 /nfs/dbraw/zinc/04/99/02/252049902.db2.gz TXEGSCSAJKBFQH-LLVKDONJSA-N 1 0 362.373 2.746 20 5 FFBDRO C[C@H]1CCCC[N@@H+]1CCN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272527031 252059766 /nfs/dbraw/zinc/05/97/66/252059766.db2.gz MGGNGMVKISUEHY-YJBOKZPZSA-N 1 0 357.458 2.882 20 5 FFBDRO NC(=O)c1ccc(C[N@@H+]2CC[C@@H](COc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000272588424 252074504 /nfs/dbraw/zinc/07/45/04/252074504.db2.gz PDXFAQYIHXTSPN-CQSZACIVSA-N 1 0 355.394 2.595 20 5 FFBDRO C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)C1=CC[N@H+](C)CC1 ZINC000272919574 252165293 /nfs/dbraw/zinc/16/52/93/252165293.db2.gz KDJLTXBRAVCWPJ-AWEZNQCLSA-N 1 0 358.442 2.575 20 5 FFBDRO C[C@@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)C1=CC[N@H+](C)CC1 ZINC000272942329 252170452 /nfs/dbraw/zinc/17/04/52/252170452.db2.gz MCEHFBXEZRNIIU-SNVBAGLBSA-N 1 0 370.356 2.968 20 5 FFBDRO C[C@H](NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)C1=CC[N@H+](C)CC1 ZINC000272987578 252183722 /nfs/dbraw/zinc/18/37/22/252183722.db2.gz PPVJVFYEJINCGH-AWEZNQCLSA-N 1 0 358.442 2.919 20 5 FFBDRO C[C@@H](Nc1ccc(C(=O)NC[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000273067778 252207557 /nfs/dbraw/zinc/20/75/57/252207557.db2.gz UVZLAEWWPWJISK-ZIAGYGMSSA-N 1 0 369.425 2.502 20 5 FFBDRO CC(C)(CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000276789983 256130958 /nfs/dbraw/zinc/13/09/58/256130958.db2.gz JIJUSLLCFCJCSN-UHFFFAOYSA-N 1 0 355.460 2.532 20 5 FFBDRO C[NH+](C)[C@H]1CCCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000277264224 256178049 /nfs/dbraw/zinc/17/80/49/256178049.db2.gz RESNJCTXPGSWIO-LBPRGKRZSA-N 1 0 354.838 2.603 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000277199418 256171611 /nfs/dbraw/zinc/17/16/11/256171611.db2.gz FKYUVUSDSZOFAY-CXAGYDPISA-N 1 0 359.426 2.692 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1NCc1ccccc1C[N@H+]1CC[C@H](O)C1)CCN2 ZINC000278189310 256286128 /nfs/dbraw/zinc/28/61/28/256286128.db2.gz DODJOCLGXUMLKE-INIZCTEOSA-N 1 0 368.437 2.742 20 5 FFBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]C3CCN(c4ccccn4)CC3)nc2c1 ZINC000278727814 256341746 /nfs/dbraw/zinc/34/17/46/256341746.db2.gz QAEVLJOHULDAQO-UHFFFAOYSA-N 1 0 352.398 2.625 20 5 FFBDRO O=C(CN1CC[C@H](CC(F)(F)F)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000278805464 256350376 /nfs/dbraw/zinc/35/03/76/256350376.db2.gz OWQSYDXFTYCLLC-LLVKDONJSA-N 1 0 357.332 2.758 20 5 FFBDRO C[NH+](C)[C@@H]1CCCN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000278960338 256366784 /nfs/dbraw/zinc/36/67/84/256366784.db2.gz GNIGKHJVEDZCAR-CYBMUJFWSA-N 1 0 374.363 2.849 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](CC[NH3+])C2)cc1SC ZINC000282013818 256684911 /nfs/dbraw/zinc/68/49/11/256684911.db2.gz ROIUFMKXWNVFLU-NSHDSACASA-N 1 0 353.444 2.526 20 5 FFBDRO CC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000286161780 257023102 /nfs/dbraw/zinc/02/31/02/257023102.db2.gz OVMFMZAKEWWVTA-UHFFFAOYSA-N 1 0 369.425 2.556 20 5 FFBDRO COc1ccc([C@H](C[NH+](C)C)NC(=O)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000286211555 257025743 /nfs/dbraw/zinc/02/57/43/257025743.db2.gz SPVKOHGGGRNNBS-KRWDZBQOSA-N 1 0 361.373 2.775 20 5 FFBDRO Cc1nsc(N2CCCN(Cc3c(F)cc([N+](=O)[O-])cc3F)CC2)n1 ZINC000286311731 257030718 /nfs/dbraw/zinc/03/07/18/257030718.db2.gz HECCHOGIBNHRPM-UHFFFAOYSA-N 1 0 369.397 2.745 20 5 FFBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccnc(-c4ccccc4)c3[N+](=O)[O-])[C@H]2C1 ZINC000286492255 257039906 /nfs/dbraw/zinc/03/99/06/257039906.db2.gz TXFMIZAAQNCUHW-PBHICJAKSA-N 1 0 366.421 2.823 20 5 FFBDRO COc1ccc([C@H](C)[NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])c(C)c1OC ZINC000286894884 257060752 /nfs/dbraw/zinc/06/07/52/257060752.db2.gz IPKIKJKBTNSIQO-LBPRGKRZSA-N 1 0 373.409 2.870 20 5 FFBDRO C[C@H]1C[N@H+](CCCNc2ncnc3sc([N+](=O)[O-])cc32)CCCO1 ZINC000287686122 257102379 /nfs/dbraw/zinc/10/23/79/257102379.db2.gz JRRCFMVFCUODKI-NSHDSACASA-N 1 0 351.432 2.512 20 5 FFBDRO CC(C)(CO)[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1cccs1 ZINC000289398274 257279021 /nfs/dbraw/zinc/27/90/21/257279021.db2.gz RTSIKDLFRFZXIR-INIZCTEOSA-N 1 0 363.439 2.944 20 5 FFBDRO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@H+](CCc4ccncc4)CC3)nc2c1 ZINC000289504925 257284768 /nfs/dbraw/zinc/28/47/68/257284768.db2.gz LAFILXUTXNTGBB-UHFFFAOYSA-N 1 0 366.425 2.621 20 5 FFBDRO COc1cc(C[NH2+]C[C@@]2(CO)C[C@@H]2c2ccccc2)c([N+](=O)[O-])cc1O ZINC000289979814 257309691 /nfs/dbraw/zinc/30/96/91/257309691.db2.gz WULFQVDNYBIHKK-DNVCBOLYSA-N 1 0 358.394 2.565 20 5 FFBDRO Cc1cnn([C@@H]2CCN(Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)C2)c1 ZINC000290002701 257310727 /nfs/dbraw/zinc/31/07/27/257310727.db2.gz TXFYQEOIFJOFOC-OAHLLOKOSA-N 1 0 354.370 2.597 20 5 FFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000290180881 257319175 /nfs/dbraw/zinc/31/91/75/257319175.db2.gz PPIWCKROECYHMF-HIFRSBDPSA-N 1 0 363.483 2.924 20 5 FFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@H]2CCCS(=O)(=O)C2)o1 ZINC000290231898 257321531 /nfs/dbraw/zinc/32/15/31/257321531.db2.gz YNNFZZQOWHBYDJ-CYBMUJFWSA-N 1 0 364.423 2.769 20 5 FFBDRO C[N@H+](CCCO)C1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000289547115 257286849 /nfs/dbraw/zinc/28/68/49/257286849.db2.gz DZXZKXUJNNYMMI-UHFFFAOYSA-N 1 0 370.837 2.559 20 5 FFBDRO CCc1ccc(C(=O)N(CCCOC)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000290880097 257362404 /nfs/dbraw/zinc/36/24/04/257362404.db2.gz FKJVONFYNOBDBQ-UHFFFAOYSA-N 1 0 363.458 2.730 20 5 FFBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000291066604 257378995 /nfs/dbraw/zinc/37/89/95/257378995.db2.gz YGNWHQBMNRJDAP-LBPRGKRZSA-N 1 0 360.414 2.699 20 5 FFBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)C1 ZINC000294908558 257608115 /nfs/dbraw/zinc/60/81/15/257608115.db2.gz JVAWGKMABHYBPY-CYBMUJFWSA-N 1 0 366.437 2.604 20 5 FFBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000301088479 258024120 /nfs/dbraw/zinc/02/41/20/258024120.db2.gz HPOMKYKMARCULQ-MRXNPFEDSA-N 1 0 358.398 2.796 20 5 FFBDRO O=C1[C@@H](N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCN1c1ccccc1 ZINC000301214203 258034387 /nfs/dbraw/zinc/03/43/87/258034387.db2.gz YEMLJHWULBZWMQ-IBGZPJMESA-N 1 0 366.421 2.522 20 5 FFBDRO O=C(NC1CC1)c1ccc(N2CCC[C@@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000301235717 258035547 /nfs/dbraw/zinc/03/55/47/258035547.db2.gz HMQSUBHETYKCOC-MRXNPFEDSA-N 1 0 358.442 2.552 20 5 FFBDRO COc1ccccc1[C@H](CNc1c([N+](=O)[O-])c(C)nn1C)[NH+]1CCCC1 ZINC000301294784 258040701 /nfs/dbraw/zinc/04/07/01/258040701.db2.gz RQEBZKLLPQMUDL-HNNXBMFYSA-N 1 0 359.430 2.894 20 5 FFBDRO COC[C@@H]([NH2+]CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1ccccc1 ZINC000299731374 258021314 /nfs/dbraw/zinc/02/13/14/258021314.db2.gz XDIFLJFKJYNRTA-QGZVFWFLSA-N 1 0 373.409 2.909 20 5 FFBDRO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNc3sccc3[N+](=O)[O-])c2)C1 ZINC000302035769 258083471 /nfs/dbraw/zinc/08/34/71/258083471.db2.gz UPMUEQWQFOJTEO-OAHLLOKOSA-N 1 0 374.466 2.966 20 5 FFBDRO Cc1cc(N[C@@H](C)CN2CC[NH+](C)CC2)c(Br)cc1[N+](=O)[O-] ZINC000302652893 258107047 /nfs/dbraw/zinc/10/70/47/258107047.db2.gz GXUUXJPFQRKFPK-LBPRGKRZSA-N 1 0 371.279 2.714 20 5 FFBDRO CCc1nn(C)c(NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c1[N+](=O)[O-] ZINC000302685297 258108132 /nfs/dbraw/zinc/10/81/32/258108132.db2.gz AACLLPRRBGJMNP-MRXNPFEDSA-N 1 0 373.457 2.594 20 5 FFBDRO O=[N+]([O-])c1ccc(Cl)c(CN[C@H]2CCCc3c2cnn3CCO)c1 ZINC000324412179 258115815 /nfs/dbraw/zinc/11/58/15/258115815.db2.gz WBDXUVMCJJIQQQ-HNNXBMFYSA-N 1 0 350.806 2.604 20 5 FFBDRO CC[NH+]1CCN([C@H](C)CNc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000301524574 258053987 /nfs/dbraw/zinc/05/39/87/258053987.db2.gz MRQMZAVJKSRGLV-GFCCVEGCSA-N 1 0 371.279 2.795 20 5 FFBDRO CC(C)C[N@@H+]1CCO[C@@H](CNc2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000301682241 258062624 /nfs/dbraw/zinc/06/26/24/258062624.db2.gz KEGDMXKCFQAKFU-LBPRGKRZSA-N 1 0 373.251 2.521 20 5 FFBDRO CC(C)C[NH+]1CCC(Nc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000301869265 258071428 /nfs/dbraw/zinc/07/14/28/258071428.db2.gz FEDPDILSZPYQBI-UHFFFAOYSA-N 1 0 355.460 2.531 20 5 FFBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000301964442 258078536 /nfs/dbraw/zinc/07/85/36/258078536.db2.gz NTATVLHSSDZEMN-GOEBONIOSA-N 1 0 366.425 2.960 20 5 FFBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000332164849 258217054 /nfs/dbraw/zinc/21/70/54/258217054.db2.gz KNUAWITVWHKRTD-WCQYABFASA-N 1 0 369.368 2.895 20 5 FFBDRO CCOc1cc(C[N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000331736832 258198663 /nfs/dbraw/zinc/19/86/63/258198663.db2.gz VGROSAPUHNITQH-INIZCTEOSA-N 1 0 361.442 2.828 20 5 FFBDRO C[C@@H]1C[C@H](NC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CC[N@@H+]1C ZINC000331825448 258201824 /nfs/dbraw/zinc/20/18/24/258201824.db2.gz MXYBKXOLVQJHQR-HYVNUMGLSA-N 1 0 360.458 2.967 20 5 FFBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NC(C)(C)CCC[NH+](C)C)cc1OC ZINC000411041678 512446064 /nfs/dbraw/zinc/44/60/64/512446064.db2.gz CDMWOAPFCALZSB-UHFFFAOYSA-N 1 0 367.446 2.852 20 5 FFBDRO O=C(c1cccc2c(=O)c3ccccc3[nH]c12)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000373096636 512170412 /nfs/dbraw/zinc/17/04/12/512170412.db2.gz YIQZLWYQQRJCAT-OAHLLOKOSA-N 1 0 361.445 2.992 20 5 FFBDRO CNC(=O)c1ccc(N2CC[NH+](Cc3cccc(C)c3)CC2)c([N+](=O)[O-])c1 ZINC000053551297 506402175 /nfs/dbraw/zinc/40/21/75/506402175.db2.gz MZZBLSGKPQQLIL-UHFFFAOYSA-N 1 0 368.437 2.585 20 5 FFBDRO COc1cc(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)c([N+](=O)[O-])cc1F ZINC000410484913 512275678 /nfs/dbraw/zinc/27/56/78/512275678.db2.gz RTLKWMODHCTYEN-OAHLLOKOSA-N 1 0 355.410 2.839 20 5 FFBDRO COc1cc(CN2CC[NH+](CC(C)C)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000053782196 506442289 /nfs/dbraw/zinc/44/22/89/506442289.db2.gz JCYYODDSBBYIDD-UHFFFAOYSA-N 1 0 373.400 2.978 20 5 FFBDRO C[N@H+](CCNC(=O)CCNc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000054265695 506526198 /nfs/dbraw/zinc/52/61/98/506526198.db2.gz IWVQYUBHZBDBIP-UHFFFAOYSA-N 1 0 356.426 2.645 20 5 FFBDRO O=C(CCNc1ccccc1[N+](=O)[O-])NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000041797783 506552586 /nfs/dbraw/zinc/55/25/86/506552586.db2.gz XDZXXWPZUQJAFS-QGZVFWFLSA-N 1 0 372.425 2.943 20 5 FFBDRO C[N@H+](CCCNC(=O)COc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000009982019 506720798 /nfs/dbraw/zinc/72/07/98/506720798.db2.gz VVHJOEXNWXENBE-UHFFFAOYSA-N 1 0 357.410 2.612 20 5 FFBDRO Cc1c(NC(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000043347341 506737464 /nfs/dbraw/zinc/73/74/64/506737464.db2.gz VUYHBWLYUUJTGI-BETUJISGSA-N 1 0 350.419 2.524 20 5 FFBDRO C[C@@H](CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)[N@@H+]1CCCC[C@@H]1C ZINC000067052669 506739131 /nfs/dbraw/zinc/73/91/31/506739131.db2.gz AMUZZHSQNJOKRY-GJZGRUSLSA-N 1 0 371.441 2.773 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCC[NH+](C(C)C)C(C)C)c1C ZINC000012141062 506821994 /nfs/dbraw/zinc/82/19/94/506821994.db2.gz GNDDFUIJFMSXIM-UHFFFAOYSA-N 1 0 357.476 2.609 20 5 FFBDRO C[NH+](C)C1(CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CCCC1 ZINC000056528662 507037830 /nfs/dbraw/zinc/03/78/30/507037830.db2.gz RIYKRXCAWIDZLM-UHFFFAOYSA-N 1 0 360.458 2.799 20 5 FFBDRO CC[NH+](CC)CCC[C@@H](C)Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000067949781 507064275 /nfs/dbraw/zinc/06/42/75/507064275.db2.gz XTQRTELSOXZXQX-CYBMUJFWSA-N 1 0 357.476 2.921 20 5 FFBDRO CC1CCN(c2ccc(C(=O)NCC[NH+]3CCCC3)cc2[N+](=O)[O-])CC1 ZINC000016503233 507094873 /nfs/dbraw/zinc/09/48/73/507094873.db2.gz GIZKPBYNHCDPLS-UHFFFAOYSA-N 1 0 360.458 2.657 20 5 FFBDRO C[C@H]1CCCC[N@@H+]1CCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000017281879 507118724 /nfs/dbraw/zinc/11/87/24/507118724.db2.gz NVTANQCKHXPNMZ-ZDUSSCGKSA-N 1 0 355.460 2.675 20 5 FFBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000057005754 507144466 /nfs/dbraw/zinc/14/44/66/507144466.db2.gz NAZTUTRPUGGVJE-KRWDZBQOSA-N 1 0 354.410 2.669 20 5 FFBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000068467932 507242794 /nfs/dbraw/zinc/24/27/94/507242794.db2.gz XCVOPYCIEMLTPM-QGZVFWFLSA-N 1 0 356.426 2.636 20 5 FFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000047119958 507267765 /nfs/dbraw/zinc/26/77/65/507267765.db2.gz SMFLWMQLDRCCMH-CQSZACIVSA-N 1 0 351.472 2.924 20 5 FFBDRO COc1cc(C(=O)NCc2ccc(C[NH+](C)C)cc2)c([N+](=O)[O-])cc1OC ZINC000023961922 507381201 /nfs/dbraw/zinc/38/12/01/507381201.db2.gz ZEUVZVCQVDJRSI-UHFFFAOYSA-N 1 0 373.409 2.604 20 5 FFBDRO C[NH+](C)Cc1cccc(CNC(=O)NCCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000069063768 507392189 /nfs/dbraw/zinc/39/21/89/507392189.db2.gz MKHGVUYRAVMEAD-UHFFFAOYSA-N 1 0 372.425 2.535 20 5 FFBDRO C[C@H](CNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)C[NH+]1CCCC1 ZINC000047916737 507414126 /nfs/dbraw/zinc/41/41/26/507414126.db2.gz LGXJTDJTALVSPO-KGLIPLIRSA-N 1 0 351.472 2.924 20 5 FFBDRO C[N@H+](Cc1ccccc1NC(=O)Cn1cnc([N+](=O)[O-])n1)C1CCCCC1 ZINC000048223797 507483351 /nfs/dbraw/zinc/48/33/51/507483351.db2.gz WEJASVVCYVLKCM-UHFFFAOYSA-N 1 0 372.429 2.590 20 5 FFBDRO C[NH+](C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccsc1 ZINC000025329783 507489309 /nfs/dbraw/zinc/48/93/09/507489309.db2.gz WZJIVLKTWXVBAY-AWEZNQCLSA-N 1 0 364.383 2.597 20 5 FFBDRO O=[N+]([O-])c1c2cccnc2ccc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069797779 507561171 /nfs/dbraw/zinc/56/11/71/507561171.db2.gz KQGJYRVOGOJLCG-OAHLLOKOSA-N 1 0 356.426 2.692 20 5 FFBDRO C[C@@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1F ZINC000026713432 507604391 /nfs/dbraw/zinc/60/43/91/507604391.db2.gz MQTQKDSPIDOOMO-BXUZGUMPSA-N 1 0 352.337 2.964 20 5 FFBDRO CC(C)C[NH+]1CCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000049969166 507646131 /nfs/dbraw/zinc/64/61/31/507646131.db2.gz JRVHGHHRYLSTDN-CYBMUJFWSA-N 1 0 368.865 2.849 20 5 FFBDRO CNc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000071014314 507679372 /nfs/dbraw/zinc/67/93/72/507679372.db2.gz JLBLTSLOUUKGRK-INIZCTEOSA-N 1 0 354.410 2.641 20 5 FFBDRO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000051049482 507727273 /nfs/dbraw/zinc/72/72/73/507727273.db2.gz PZXFFLJUADVAOK-HZPDHXFCSA-N 1 0 363.458 2.990 20 5 FFBDRO C[C@@H]1CCC[N@H+](CCCCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000052247559 507804026 /nfs/dbraw/zinc/80/40/26/507804026.db2.gz SNRPHQMZDZBBLO-CQSZACIVSA-N 1 0 369.487 2.922 20 5 FFBDRO C[NH+](C)CCOc1ccc(CNc2nc3sccn3c2[N+](=O)[O-])cc1 ZINC000052408021 507808115 /nfs/dbraw/zinc/80/81/15/507808115.db2.gz AWSGZBIDWGTKSQ-UHFFFAOYSA-N 1 0 361.427 2.857 20 5 FFBDRO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000089580754 507847261 /nfs/dbraw/zinc/84/72/61/507847261.db2.gz YKYNNEIZMPVTLP-CYBMUJFWSA-N 1 0 364.423 2.728 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000072719699 507847356 /nfs/dbraw/zinc/84/73/56/507847356.db2.gz XWGYHFVVEGHSRJ-INIZCTEOSA-N 1 0 360.458 2.650 20 5 FFBDRO O=[N+]([O-])c1ccc(NC2CC[NH+]([C@H]3CCOC3)CC2)cc1OC(F)F ZINC000089603550 507850205 /nfs/dbraw/zinc/85/02/05/507850205.db2.gz IEKPLSYIRMEHQQ-ZDUSSCGKSA-N 1 0 357.357 2.861 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1C[C@@H](C)S[C@H](C)C1 ZINC000072771430 507851525 /nfs/dbraw/zinc/85/15/25/507851525.db2.gz FKHIWZMUFBATFQ-VXGBXAGGSA-N 1 0 353.444 2.758 20 5 FFBDRO O=[N+]([O-])c1ccc(OCC[N@H+](C[C@@H]2CCCO2)[C@@H]2CCSC2)cc1 ZINC000089952228 507889856 /nfs/dbraw/zinc/88/98/56/507889856.db2.gz QGMQIWIDYIPIGW-WBVHZDCISA-N 1 0 352.456 2.960 20 5 FFBDRO C[NH+](C)[C@H](CNC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000108556618 507903914 /nfs/dbraw/zinc/90/39/14/507903914.db2.gz OBSOCOBHGJVABE-QGZVFWFLSA-N 1 0 361.373 2.532 20 5 FFBDRO CC[C@@H](CO)[NH+]1CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1 ZINC000090096808 507908213 /nfs/dbraw/zinc/90/82/13/507908213.db2.gz IPCGIGZJSMDMJQ-INIZCTEOSA-N 1 0 356.426 2.550 20 5 FFBDRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000108821347 507920171 /nfs/dbraw/zinc/92/01/71/507920171.db2.gz TUQJROWQPGNDJQ-GJZGRUSLSA-N 1 0 363.458 2.846 20 5 FFBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000090553060 507927512 /nfs/dbraw/zinc/92/75/12/507927512.db2.gz OVDZKYVDXPJBPT-AWEZNQCLSA-N 1 0 368.393 2.777 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(n2cccn2)CC1 ZINC000109007905 507931614 /nfs/dbraw/zinc/93/16/14/507931614.db2.gz FMXLLZJWVFMKLJ-UHFFFAOYSA-N 1 0 357.414 2.765 20 5 FFBDRO C[C@H](Cn1cc(Br)cn1)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000090910010 507939102 /nfs/dbraw/zinc/93/91/02/507939102.db2.gz XEVKPIWEVRFRAU-LLVKDONJSA-N 1 0 353.220 2.775 20 5 FFBDRO CN(CC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000079291224 507951486 /nfs/dbraw/zinc/95/14/86/507951486.db2.gz YZIKCQQQCRJXFS-QGZVFWFLSA-N 1 0 372.425 2.577 20 5 FFBDRO C[NH+](C)[C@H](CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])c1ccco1 ZINC000073868627 507962805 /nfs/dbraw/zinc/96/28/05/507962805.db2.gz FIPZKQJVXITPOP-MRXNPFEDSA-N 1 0 358.398 2.795 20 5 FFBDRO C[C@@H]([NH2+]C1(CNC(=O)Cn2ccc([N+](=O)[O-])n2)CCCC1)c1ccccc1 ZINC000109696351 507981556 /nfs/dbraw/zinc/98/15/56/507981556.db2.gz GRYOJYMOSOPGDD-OAHLLOKOSA-N 1 0 371.441 2.571 20 5 FFBDRO C[C@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000079804449 508002661 /nfs/dbraw/zinc/00/26/61/508002661.db2.gz YXSHBZFLEHUGJL-SECBINFHSA-N 1 0 356.220 2.570 20 5 FFBDRO C[C@@H](c1ccccn1)[N@H+](C)CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000091702504 508003964 /nfs/dbraw/zinc/00/39/64/508003964.db2.gz KYJGDKPDYGWLPW-ZDUSSCGKSA-N 1 0 356.382 2.981 20 5 FFBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])C1 ZINC000079927697 508016118 /nfs/dbraw/zinc/01/61/18/508016118.db2.gz AEODEMXAFFDFST-CHWSQXEVSA-N 1 0 359.430 2.611 20 5 FFBDRO COc1cc(C(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000110354012 508022813 /nfs/dbraw/zinc/02/28/13/508022813.db2.gz XCRPOLVMCQTOSR-CQSZACIVSA-N 1 0 357.410 2.854 20 5 FFBDRO Cc1cc(NCc2ccc(C[NH+]3CCC(O)CC3)cc2)ncc1[N+](=O)[O-] ZINC000074748304 508051997 /nfs/dbraw/zinc/05/19/97/508051997.db2.gz PHSCCKMLYMGGPO-UHFFFAOYSA-N 1 0 356.426 2.867 20 5 FFBDRO CC[N@H+](Cc1cnn(C)c1)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000092437599 508071290 /nfs/dbraw/zinc/07/12/90/508071290.db2.gz RMRSZPUXPKMHQK-UHFFFAOYSA-N 1 0 354.414 2.751 20 5 FFBDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000081121239 508139696 /nfs/dbraw/zinc/13/96/96/508139696.db2.gz GDSLUZUIXGYXHD-LJQANCHMSA-N 1 0 353.422 2.870 20 5 FFBDRO COCCOc1ccc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000093534755 508148323 /nfs/dbraw/zinc/14/83/23/508148323.db2.gz FZNIMZPMBDYRPZ-MRXNPFEDSA-N 1 0 372.425 2.701 20 5 FFBDRO COc1cccc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1OC ZINC000093534463 508148380 /nfs/dbraw/zinc/14/83/80/508148380.db2.gz BGNCGWSNMSMHMG-AWEZNQCLSA-N 1 0 358.398 2.693 20 5 FFBDRO CC[NH+](CC)C[C@H]1CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000076003763 508150769 /nfs/dbraw/zinc/15/07/69/508150769.db2.gz KWOZICUIIZCZQU-CQSZACIVSA-N 1 0 359.430 2.809 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[N@@H+](C)CC12CCCCC2 ZINC000081598580 508195112 /nfs/dbraw/zinc/19/51/12/508195112.db2.gz IZRJGMSSMXFCNM-UHFFFAOYSA-N 1 0 360.458 2.792 20 5 FFBDRO COc1ccc(C[NH2+]CCc2nc3c(cccc3F)n2C)cc1[N+](=O)[O-] ZINC000113358990 508262424 /nfs/dbraw/zinc/26/24/24/508262424.db2.gz ZCBIDHYNZXVLMR-UHFFFAOYSA-N 1 0 358.373 2.962 20 5 FFBDRO Cc1ccc(NC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000077178316 508283915 /nfs/dbraw/zinc/28/39/15/508283915.db2.gz NGCSERARDDAHEG-CQSZACIVSA-N 1 0 362.430 2.526 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000085619960 508314317 /nfs/dbraw/zinc/31/43/17/508314317.db2.gz ULXLNLSDZLWSCI-HNNXBMFYSA-N 1 0 364.446 2.690 20 5 FFBDRO CN1CC[C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000377673638 512389365 /nfs/dbraw/zinc/38/93/65/512389365.db2.gz MVJLOHRLKFZEFX-HZPDHXFCSA-N 1 0 367.812 2.619 20 5 FFBDRO COc1ccc(C[NH2+]C[C@](C)(O)c2ccc(F)cc2F)cc1[N+](=O)[O-] ZINC000114509561 508323171 /nfs/dbraw/zinc/32/31/71/508323171.db2.gz DWSYBPQROODXCH-KRWDZBQOSA-N 1 0 352.337 2.879 20 5 FFBDRO C[NH+](C)[C@H](CNC(=O)CCc1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000087007365 508331436 /nfs/dbraw/zinc/33/14/36/508331436.db2.gz LKGUMZLINNWNGD-IBGZPJMESA-N 1 0 355.438 2.817 20 5 FFBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2cc(F)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000115270096 508379991 /nfs/dbraw/zinc/37/99/91/508379991.db2.gz TYBFDUPMYZJKEF-CJNGLKHVSA-N 1 0 367.421 2.601 20 5 FFBDRO CCOC(=O)c1ccnc(NC[C@@H](c2cccs2)[NH+](C)C)c1[N+](=O)[O-] ZINC000077903470 508390281 /nfs/dbraw/zinc/39/02/81/508390281.db2.gz PEBREXPLFLAMFY-LBPRGKRZSA-N 1 0 364.427 2.943 20 5 FFBDRO CCC[NH+]1CCC(CNc2nccc(C(=O)OCC)c2[N+](=O)[O-])CC1 ZINC000077955719 508394429 /nfs/dbraw/zinc/39/44/29/508394429.db2.gz NTOUGRLWPNPWKQ-UHFFFAOYSA-N 1 0 350.419 2.700 20 5 FFBDRO CC[NH+](CC)CCNC(=O)c1ccc(Oc2ncccc2[N+](=O)[O-])cc1 ZINC000115520434 508405052 /nfs/dbraw/zinc/40/50/52/508405052.db2.gz KZZFSNAFARQXOG-UHFFFAOYSA-N 1 0 358.398 2.854 20 5 FFBDRO C[C@@H]1C[C@@H](Nc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000133527019 508411641 /nfs/dbraw/zinc/41/16/41/508411641.db2.gz LZIJCKFZHPBJIU-TZMCWYRMSA-N 1 0 369.425 2.596 20 5 FFBDRO Cc1ccc(NC(=O)CNc2ccccc2[N+](=O)[O-])c(OCC[NH+](C)C)c1 ZINC000133596905 508422717 /nfs/dbraw/zinc/42/27/17/508422717.db2.gz VIZAZPZLQCTQFN-UHFFFAOYSA-N 1 0 372.425 2.894 20 5 FFBDRO O=C([C@H](C1CC1)[NH+]1CCCC1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000127463294 508454338 /nfs/dbraw/zinc/45/43/38/508454338.db2.gz ZBIYALCSXZPAEU-IBGZPJMESA-N 1 0 373.453 2.839 20 5 FFBDRO C[NH+](C)CC[C@@H](NC(=O)CCNc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000116125465 508475394 /nfs/dbraw/zinc/47/53/94/508475394.db2.gz HRUORDUTRYLRRK-MRXNPFEDSA-N 1 0 350.463 2.879 20 5 FFBDRO O=C1NCCN1C1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000127664962 508483242 /nfs/dbraw/zinc/48/32/42/508483242.db2.gz CYPMDSZDABAKDZ-UHFFFAOYSA-N 1 0 370.409 2.844 20 5 FFBDRO CC[NH+]1CCN(c2ccccc2NC(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000152683344 508493886 /nfs/dbraw/zinc/49/38/86/508493886.db2.gz PXWZGJLGRVJGGZ-UHFFFAOYSA-N 1 0 368.437 2.918 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1CN1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000377691218 512400706 /nfs/dbraw/zinc/40/07/06/512400706.db2.gz HMPJWRYQBPAGAK-UFRUDQCGSA-N 1 0 358.486 2.646 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000157194653 508535819 /nfs/dbraw/zinc/53/58/19/508535819.db2.gz KFGYRMMMCLYSSI-MRXNPFEDSA-N 1 0 360.458 2.792 20 5 FFBDRO C[C@@H](CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)C[NH+]1CCCCC1 ZINC000122535292 508550493 /nfs/dbraw/zinc/55/04/93/508550493.db2.gz AIOJWPFMMMCUEF-HNNXBMFYSA-N 1 0 360.458 2.785 20 5 FFBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157309510 508550612 /nfs/dbraw/zinc/55/06/12/508550612.db2.gz HBHBGOOROSFEIY-CVEARBPZSA-N 1 0 360.458 2.872 20 5 FFBDRO O=[N+]([O-])c1cnn(CCN2CC[NH+](Cc3cccc4ccccc43)CC2)c1 ZINC000157443816 508566764 /nfs/dbraw/zinc/56/67/64/508566764.db2.gz KGUUBXCHGAPOEO-UHFFFAOYSA-N 1 0 365.437 2.762 20 5 FFBDRO CC[C@@H]([NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000116907594 508571430 /nfs/dbraw/zinc/57/14/30/508571430.db2.gz DIRCIRVFEVIUSO-OAHLLOKOSA-N 1 0 363.439 2.614 20 5 FFBDRO C[NH+](C)CCC1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1 ZINC000128496777 508601124 /nfs/dbraw/zinc/60/11/24/508601124.db2.gz OSBVYUOYKCLFJB-UHFFFAOYSA-N 1 0 360.458 2.973 20 5 FFBDRO CC[C@@H](O)[C@H]1CCCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000128688009 508629009 /nfs/dbraw/zinc/62/90/09/508629009.db2.gz PANLCJGDJSBBKI-HZPDHXFCSA-N 1 0 353.394 2.688 20 5 FFBDRO C[NH+](C)[C@@H]1Cc2ccccc2N(C(=O)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000153712804 508632813 /nfs/dbraw/zinc/63/28/13/508632813.db2.gz BOUOMQQWGWHEKM-MRXNPFEDSA-N 1 0 357.385 2.796 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H]1CCCC[C@@H]1n1cccn1 ZINC000128933875 508661242 /nfs/dbraw/zinc/66/12/42/508661242.db2.gz WAOZLSXXRHUMIO-RDJZCZTQSA-N 1 0 357.414 2.812 20 5 FFBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)[N@@H+]1CCC[C@@H](C)C1 ZINC000123422134 508684258 /nfs/dbraw/zinc/68/42/58/508684258.db2.gz MYSUNKDAEPTKJL-KGLIPLIRSA-N 1 0 356.426 2.993 20 5 FFBDRO CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000153970204 508688858 /nfs/dbraw/zinc/68/88/58/508688858.db2.gz VQUQBTVWHQHZGK-LJQANCHMSA-N 1 0 371.437 2.852 20 5 FFBDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000154011567 508698904 /nfs/dbraw/zinc/69/89/04/508698904.db2.gz PWRBFZODPJTKKC-SFHVURJKSA-N 1 0 360.458 2.607 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000154100128 508717351 /nfs/dbraw/zinc/71/73/51/508717351.db2.gz PMKRVMUJCUCJMA-DYVFJYSZSA-N 1 0 359.426 2.692 20 5 FFBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CCC[C@H]([NH3+])C2)cc1 ZINC000158554828 508720139 /nfs/dbraw/zinc/72/01/39/508720139.db2.gz CRFFBMSFJNLICG-ZDUSSCGKSA-N 1 0 371.393 2.959 20 5 FFBDRO NC(=O)c1ccc(N2CCC(CCC[NH+]3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000129663096 508751588 /nfs/dbraw/zinc/75/15/88/508751588.db2.gz OSDUADXNJWPUDR-UHFFFAOYSA-N 1 0 360.458 2.786 20 5 FFBDRO CCc1ccc(C(=O)N2CCN(c3cc(C)ccn3)CC2)cc1[N+](=O)[O-] ZINC000158950781 508772849 /nfs/dbraw/zinc/77/28/49/508772849.db2.gz MMHFQDYEJWSHBG-UHFFFAOYSA-N 1 0 354.410 2.823 20 5 FFBDRO CC(C)(C)OC(=O)NC1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000154486354 508794219 /nfs/dbraw/zinc/79/42/19/508794219.db2.gz JDGHZSNJHLFTDW-INIZCTEOSA-N 1 0 365.430 2.617 20 5 FFBDRO CN(C(=O)CN1CC[NH+](C2CCCCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000141764170 508819008 /nfs/dbraw/zinc/81/90/08/508819008.db2.gz VXBZKIJIJYUUJF-UHFFFAOYSA-N 1 0 360.458 2.508 20 5 FFBDRO O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000142388876 508823219 /nfs/dbraw/zinc/82/32/19/508823219.db2.gz IHBKNVMBQBKJEK-KRWDZBQOSA-N 1 0 372.469 2.508 20 5 FFBDRO C[C@@H](CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](C)C1 ZINC000148596172 508864504 /nfs/dbraw/zinc/86/45/04/508864504.db2.gz RDYRDTDQBLKMNI-GJZGRUSLSA-N 1 0 371.441 2.631 20 5 FFBDRO CCCS(=O)(=O)N1CCC([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000154917352 508882686 /nfs/dbraw/zinc/88/26/86/508882686.db2.gz WZBOPVNXVUMRPK-AWEZNQCLSA-N 1 0 369.487 2.758 20 5 FFBDRO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000131405721 508927561 /nfs/dbraw/zinc/92/75/61/508927561.db2.gz RVIYSRHEMZPQIZ-CYBMUJFWSA-N 1 0 357.414 2.562 20 5 FFBDRO CN(CCC(=O)OC(C)(C)C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000150964413 508931719 /nfs/dbraw/zinc/93/17/19/508931719.db2.gz YZFNSQALJZHSOB-UHFFFAOYSA-N 1 0 371.821 2.850 20 5 FFBDRO C[C@@H](Nc1ccc(C(=O)N[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000120142863 508937289 /nfs/dbraw/zinc/93/72/89/508937289.db2.gz YGUPRFUGJHUEMU-UKRRQHHQSA-N 1 0 369.425 2.645 20 5 FFBDRO C[C@@H](CNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)C[NH+]1CCCCC1 ZINC000125276258 508959242 /nfs/dbraw/zinc/95/92/42/508959242.db2.gz LEMYOQOQNHSCQK-HNNXBMFYSA-N 1 0 360.458 2.785 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1cccnc1N1CCOCC1 ZINC000151248381 508985752 /nfs/dbraw/zinc/98/57/52/508985752.db2.gz YSTAFGQDBUFYEW-OAHLLOKOSA-N 1 0 356.426 2.986 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)c1C ZINC000120416613 508991797 /nfs/dbraw/zinc/99/17/97/508991797.db2.gz QRFWSFKEGCWQIA-CQSZACIVSA-N 1 0 367.471 2.507 20 5 FFBDRO CN(CCC[NH+]1CCN(C)CC1)c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000161046505 509064648 /nfs/dbraw/zinc/06/46/48/509064648.db2.gz RTSWMAQOIRACMF-UHFFFAOYSA-N 1 0 360.380 2.687 20 5 FFBDRO O=[N+]([O-])c1cnc(NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c(Cl)c1 ZINC000132967224 509097938 /nfs/dbraw/zinc/09/79/38/509097938.db2.gz WKVNKGLMXCMSCW-GJZGRUSLSA-N 1 0 354.838 2.823 20 5 FFBDRO COC(=O)[C@@H](C)Oc1ccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000155990019 509106371 /nfs/dbraw/zinc/10/63/71/509106371.db2.gz YBPZBNYRZBDQQC-CQSZACIVSA-N 1 0 358.394 2.867 20 5 FFBDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000121012560 509109357 /nfs/dbraw/zinc/10/93/57/509109357.db2.gz KPCQBXPRDTZJFX-OAHLLOKOSA-N 1 0 371.441 2.727 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)c1C ZINC000121013880 509110229 /nfs/dbraw/zinc/11/02/29/509110229.db2.gz UQZRBGISGDPFKV-HNNXBMFYSA-N 1 0 369.487 2.707 20 5 FFBDRO C[NH+](C)Cc1cccc(C(=O)Nc2n[nH]c(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000156213015 509145408 /nfs/dbraw/zinc/14/54/08/509145408.db2.gz GMKMXRBUXYMOLA-UHFFFAOYSA-N 1 0 366.381 2.694 20 5 FFBDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000161761404 509150643 /nfs/dbraw/zinc/15/06/43/509150643.db2.gz VOJGOQONAMOBCZ-VHSXEESVSA-N 1 0 361.320 2.536 20 5 FFBDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000121427114 509173196 /nfs/dbraw/zinc/17/31/96/509173196.db2.gz TYBIKAAUUXHLBD-NSHDSACASA-N 1 0 370.247 2.771 20 5 FFBDRO C[N@@H+]1CCN(CCCNc2ncc([N+](=O)[O-])s2)[C@H](c2ccccc2)C1 ZINC000195508257 509200305 /nfs/dbraw/zinc/20/03/05/509200305.db2.gz YWVOFRLKBNWQEJ-HNNXBMFYSA-N 1 0 361.471 2.842 20 5 FFBDRO CN(CC[N@H+](C)C1CCN(C)CC1)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182373547 509201349 /nfs/dbraw/zinc/20/13/49/509201349.db2.gz ALHCZIVUIVZWBV-UHFFFAOYSA-N 1 0 354.882 2.706 20 5 FFBDRO Cc1c(C(=O)NCc2ccc3c(c2)C[NH2+]C3)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000188671717 509205545 /nfs/dbraw/zinc/20/55/45/509205545.db2.gz ZVNAQVYFEMODGL-UHFFFAOYSA-N 1 0 370.365 2.653 20 5 FFBDRO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000182404288 509220818 /nfs/dbraw/zinc/22/08/18/509220818.db2.gz IAWHHPPPVDGFGJ-SWLSCSKDSA-N 1 0 361.354 2.594 20 5 FFBDRO COc1ccc(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000248039355 509223601 /nfs/dbraw/zinc/22/36/01/509223601.db2.gz LRXDHDZXNHMAQX-MAUKXSAKSA-N 1 0 355.394 2.779 20 5 FFBDRO C[NH2+]C[C@H]1CCN(C(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC000179020823 509228925 /nfs/dbraw/zinc/22/89/25/509228925.db2.gz VBKKAVANVGSPGJ-HRCADAONSA-N 1 0 374.485 2.759 20 5 FFBDRO C[NH+](C)[C@@H](CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000191884249 509229349 /nfs/dbraw/zinc/22/93/49/509229349.db2.gz VPSDGUQNJLEVCN-KRWDZBQOSA-N 1 0 369.487 2.525 20 5 FFBDRO COc1ccc(NC(=O)C[NH2+][C@@H](C)[C@@H]2COc3ccccc32)c([N+](=O)[O-])c1 ZINC000185550134 509232515 /nfs/dbraw/zinc/23/25/15/509232515.db2.gz GNKOUZROTUGCLZ-WFASDCNBSA-N 1 0 371.393 2.696 20 5 FFBDRO Cc1c([C@H](C)[NH2+]CCNS(=O)(=O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000162477869 509232676 /nfs/dbraw/zinc/23/26/76/509232676.db2.gz QMAJGGHCVBAQHZ-AWEZNQCLSA-N 1 0 363.439 2.532 20 5 FFBDRO C[NH+](C)C[C@@H]1CCCN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000263939979 509238606 /nfs/dbraw/zinc/23/86/06/509238606.db2.gz ZBOFWVQZJHDQQU-INIZCTEOSA-N 1 0 363.461 2.707 20 5 FFBDRO Cn1cc(N2CCC[C@H]([NH2+][C@H](Cc3ccccc3[N+](=O)[O-])C3CC3)C2)cn1 ZINC000248138484 509243076 /nfs/dbraw/zinc/24/30/76/509243076.db2.gz PIKBXZKUTJYAPY-PKOBYXMFSA-N 1 0 369.469 2.908 20 5 FFBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000172801690 509244089 /nfs/dbraw/zinc/24/40/89/509244089.db2.gz FAEOAIPVZCWCHB-GXTWGEPZSA-N 1 0 366.849 2.745 20 5 FFBDRO Nc1c(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000175972096 509247756 /nfs/dbraw/zinc/24/77/56/509247756.db2.gz QLCMCTNBWBBUHO-UHFFFAOYSA-N 1 0 368.437 2.614 20 5 FFBDRO C[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1cccc(F)c1F ZINC000182455978 509248037 /nfs/dbraw/zinc/24/80/37/509248037.db2.gz OOLGKIZQQUDTCU-RYUDHWBXSA-N 1 0 352.337 2.964 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)[C@@H](C)C1 ZINC000248356597 509274813 /nfs/dbraw/zinc/27/48/13/509274813.db2.gz OMLJYRJFIKNSHO-HOCLYGCPSA-N 1 0 369.487 2.562 20 5 FFBDRO CC[NH+]1CCN([C@H]2CCN(c3ccc([N+](=O)[O-])c(C(F)(F)F)c3)C2)CC1 ZINC000266987097 509294025 /nfs/dbraw/zinc/29/40/25/509294025.db2.gz SOZCILFKFQYHPU-AWEZNQCLSA-N 1 0 372.391 2.830 20 5 FFBDRO COc1cccc(NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)c1[N+](=O)[O-] ZINC000185698766 509310016 /nfs/dbraw/zinc/31/00/16/509310016.db2.gz TWIRPYLWBZMSJZ-INIZCTEOSA-N 1 0 357.410 2.782 20 5 FFBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)n1 ZINC000176237892 509395743 /nfs/dbraw/zinc/39/57/43/509395743.db2.gz UKUDNWKPYDWIAN-KRWDZBQOSA-N 1 0 364.833 2.890 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCS[C@@H](C)CC1 ZINC000192192803 509396531 /nfs/dbraw/zinc/39/65/31/509396531.db2.gz OFBNQNZIIXQEMT-LBPRGKRZSA-N 1 0 353.444 2.759 20 5 FFBDRO O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1csc([N+](=O)[O-])c1 ZINC000264285975 509433419 /nfs/dbraw/zinc/43/34/19/509433419.db2.gz JFZXEMLZZQLFGT-HNNXBMFYSA-N 1 0 359.451 2.951 20 5 FFBDRO COc1cc(C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)cc([N+](=O)[O-])c1C ZINC000189182754 509452967 /nfs/dbraw/zinc/45/29/67/509452967.db2.gz BTWVPMUGEKJPPL-KRWDZBQOSA-N 1 0 371.437 2.815 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N3CCC[C@@H](C[NH3+])C3)cc2[N+](=O)[O-])CC1 ZINC000236668526 509475697 /nfs/dbraw/zinc/47/56/97/509475697.db2.gz BBDBZDFRUYMJRT-HNNXBMFYSA-N 1 0 360.458 2.642 20 5 FFBDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000176417423 509497426 /nfs/dbraw/zinc/49/74/26/509497426.db2.gz SJPFJVVFFBHJOQ-UHFFFAOYSA-N 1 0 356.426 2.901 20 5 FFBDRO CCS[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248861544 509514683 /nfs/dbraw/zinc/51/46/83/509514683.db2.gz AFVVNCGQDYMKAK-JKIFEVAISA-N 1 0 354.472 2.988 20 5 FFBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000248901873 509535690 /nfs/dbraw/zinc/53/56/90/509535690.db2.gz UNMXMMYRDXQWRK-HNAYVOBHSA-N 1 0 368.437 2.915 20 5 FFBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000248950445 509552351 /nfs/dbraw/zinc/55/23/51/509552351.db2.gz ZSWZCAYWMOWPDA-MAUKXSAKSA-N 1 0 368.437 2.915 20 5 FFBDRO CN(C(=O)Cn1c2ccccc2c(=O)c2ccccc21)C1CC[NH+](C)CC1 ZINC000192560522 509554911 /nfs/dbraw/zinc/55/49/11/509554911.db2.gz CSGKQTVXIXARAG-UHFFFAOYSA-N 1 0 363.461 2.707 20 5 FFBDRO C[NH+](C)CC1(CNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CCCC1 ZINC000186181867 509564064 /nfs/dbraw/zinc/56/40/64/509564064.db2.gz MZMNNPQZSMCMLO-UHFFFAOYSA-N 1 0 371.441 2.632 20 5 FFBDRO COC[C@H]1C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H](C)O1 ZINC000189417483 509565581 /nfs/dbraw/zinc/56/55/81/509565581.db2.gz CUEPSRLOYXNLML-CZUORRHYSA-N 1 0 361.398 2.528 20 5 FFBDRO Cc1ccc([C@@H](CNC(=O)Cc2cccc([N+](=O)[O-])c2)[NH+]2CCCC2)o1 ZINC000173407129 509578676 /nfs/dbraw/zinc/57/86/76/509578676.db2.gz GHDFJZRFCGHNCR-QGZVFWFLSA-N 1 0 357.410 2.992 20 5 FFBDRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000165875946 509587465 /nfs/dbraw/zinc/58/74/65/509587465.db2.gz DKAHWPVRELUNFG-NOZJJQNGSA-N 1 0 356.220 2.699 20 5 FFBDRO [NH3+]CC[C@H]1CCCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000165913928 509588380 /nfs/dbraw/zinc/58/83/80/509588380.db2.gz MTTNGAYKOIMCLB-SNVBAGLBSA-N 1 0 356.220 2.558 20 5 FFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1c2ccccc2C[C@@H]1O ZINC000166597425 509612008 /nfs/dbraw/zinc/61/20/08/509612008.db2.gz AKEGGKAPCXJMKN-LWLIDHTLSA-N 1 0 355.394 2.560 20 5 FFBDRO COc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])cc1OC ZINC000173458271 509612736 /nfs/dbraw/zinc/61/27/36/509612736.db2.gz GVAGLARZRBUBEV-GFCCVEGCSA-N 1 0 359.382 2.901 20 5 FFBDRO C[C@H](C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)[C@@H]([NH3+])c1ccccc1 ZINC000237419077 509643481 /nfs/dbraw/zinc/64/34/81/509643481.db2.gz YAEUOABOHWLNBZ-HNAYVOBHSA-N 1 0 368.437 2.580 20 5 FFBDRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000186323331 509647272 /nfs/dbraw/zinc/64/72/72/509647272.db2.gz FQWBAJWXQJVXLA-AWEZNQCLSA-N 1 0 358.442 2.999 20 5 FFBDRO Cc1c([C@@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cnn1C ZINC000183308692 509708786 /nfs/dbraw/zinc/70/87/86/509708786.db2.gz VIKGCTYCRFFYAA-SECBINFHSA-N 1 0 351.794 2.579 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1CN1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000183308929 509709613 /nfs/dbraw/zinc/70/96/13/509709613.db2.gz LVLOGTMOOASPDW-HDICACEKSA-N 1 0 360.502 2.894 20 5 FFBDRO C[C@@H](C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)[C@H]([NH3+])c1ccccc1 ZINC000237698700 509713297 /nfs/dbraw/zinc/71/32/97/509713297.db2.gz YAEUOABOHWLNBZ-BEFAXECRSA-N 1 0 368.437 2.580 20 5 FFBDRO CCN(C(=O)c1cc([N+](=O)[O-])ccc1N)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000189723670 509720986 /nfs/dbraw/zinc/72/09/86/509720986.db2.gz YORINFGROGLUSP-KRWDZBQOSA-N 1 0 368.437 2.914 20 5 FFBDRO CC[C@@](C)(O)C[N@H+](Cc1ccccc1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000189736474 509725759 /nfs/dbraw/zinc/72/57/59/509725759.db2.gz UGKNPEQTAPDUPE-HXUWFJFHSA-N 1 0 371.437 2.857 20 5 FFBDRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000237900163 509767623 /nfs/dbraw/zinc/76/76/23/509767623.db2.gz WOBVNIHRWSTKJN-JSGCOSHPSA-N 1 0 360.439 2.966 20 5 FFBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000268120190 509768570 /nfs/dbraw/zinc/76/85/70/509768570.db2.gz KREZYWINYIDATD-HUUCEWRRSA-N 1 0 352.822 2.674 20 5 FFBDRO COc1cc(C[N@H+](CC(C)(C)O)C2CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000189901923 509818867 /nfs/dbraw/zinc/81/88/67/509818867.db2.gz ZLKXJNSJOJPKAF-UHFFFAOYSA-N 1 0 374.384 2.983 20 5 FFBDRO O=C(NCC[C@@H]1CCC[NH2+]C1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000238148630 509827317 /nfs/dbraw/zinc/82/73/17/509827317.db2.gz OIFBYEQBACESIY-LBPRGKRZSA-N 1 0 360.439 2.838 20 5 FFBDRO CC[NH+](CC)CCOc1ccccc1NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000183517720 509837989 /nfs/dbraw/zinc/83/79/89/509837989.db2.gz SHUMAWBSTDKTHM-UHFFFAOYSA-N 1 0 373.413 2.545 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000186691461 509856775 /nfs/dbraw/zinc/85/67/75/509856775.db2.gz CCNIKFBWPBPZTH-CYBMUJFWSA-N 1 0 364.446 2.521 20 5 FFBDRO C[NH+](C)C1(CNc2ccc(Br)cc2[N+](=O)[O-])CCOCC1 ZINC000265101370 509861770 /nfs/dbraw/zinc/86/17/70/509861770.db2.gz XQPJEDANWVNUTM-UHFFFAOYSA-N 1 0 358.236 2.880 20 5 FFBDRO Cc1csc([C@@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000183566093 509863133 /nfs/dbraw/zinc/86/31/33/509863133.db2.gz MHLOBQKAJSWJHC-BBRMVZONSA-N 1 0 363.439 2.840 20 5 FFBDRO Cc1ccc(NCCCNC(=O)c2c[nH+]ccc2N(C)C)c([N+](=O)[O-])c1 ZINC000183582119 509871986 /nfs/dbraw/zinc/87/19/86/509871986.db2.gz VLCILAYEONLWBA-UHFFFAOYSA-N 1 0 357.414 2.596 20 5 FFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[NH+](C2CCC2)CC1 ZINC000265125857 509874063 /nfs/dbraw/zinc/87/40/63/509874063.db2.gz LHEMPOCMDXLYDQ-GFCCVEGCSA-N 1 0 366.849 2.745 20 5 FFBDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000183612795 509886197 /nfs/dbraw/zinc/88/61/97/509886197.db2.gz NSYCZAVNLOVAQV-CYBMUJFWSA-N 1 0 370.413 2.732 20 5 FFBDRO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])C1 ZINC000190028581 509895054 /nfs/dbraw/zinc/89/50/54/509895054.db2.gz BHHJQEADZYNKQZ-HNNXBMFYSA-N 1 0 369.487 2.564 20 5 FFBDRO CC(C)[N@H+]1[C@@H]2CC[C@H]1CCN(c1cc3c(cc1[N+](=O)[O-])CCC(=O)N3)C2 ZINC000173998356 509896807 /nfs/dbraw/zinc/89/68/07/509896807.db2.gz ZDGCINNJSJYURD-LSDHHAIUSA-N 1 0 358.442 2.931 20 5 FFBDRO COC(=O)[C@@H](C)[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C1CCC1 ZINC000190072880 509921902 /nfs/dbraw/zinc/92/19/02/509921902.db2.gz PSTNBDVPERTDAA-CYBMUJFWSA-N 1 0 363.414 2.648 20 5 FFBDRO CC(=O)Nc1ccc(NC(=O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000180431325 509922873 /nfs/dbraw/zinc/92/28/73/509922873.db2.gz QTIZZQOYTHFPLY-LBPRGKRZSA-N 1 0 356.382 2.843 20 5 FFBDRO Cc1ccc(C)c(S(=O)(=O)NC2CCC(C[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000190083488 509928953 /nfs/dbraw/zinc/92/89/53/509928953.db2.gz LFSZXJCIDJJLTF-UHFFFAOYSA-N 1 0 369.487 2.610 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1SC ZINC000245436957 509933215 /nfs/dbraw/zinc/93/32/15/509933215.db2.gz DNVWKTLOJCAROT-NEPJUHHUSA-N 1 0 365.455 2.634 20 5 FFBDRO CC[NH+]1CCC(CCNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)CC1 ZINC000174106763 509949557 /nfs/dbraw/zinc/94/95/57/509949557.db2.gz JJHOOHJYUPJVCF-UHFFFAOYSA-N 1 0 364.402 2.663 20 5 FFBDRO CC[NH+](CC)C[C@H]1CCN(c2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000268478200 509957215 /nfs/dbraw/zinc/95/72/15/509957215.db2.gz KGKOOYFZZDOBQG-LLVKDONJSA-N 1 0 357.252 2.920 20 5 FFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000265284419 509966593 /nfs/dbraw/zinc/96/65/93/509966593.db2.gz JFMLLZICXQPKNK-ZIAGYGMSSA-N 1 0 351.472 2.876 20 5 FFBDRO CN(CC1([NH+](C)C)CCC1)C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000187008080 510001333 /nfs/dbraw/zinc/00/13/33/510001333.db2.gz LNGAYNDLLDNCBB-UHFFFAOYSA-N 1 0 357.357 2.753 20 5 FFBDRO C[C@H]([NH2+]C[C@H]1C[C@@H](O)CN1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000245602267 510032714 /nfs/dbraw/zinc/03/27/14/510032714.db2.gz PKRRSCKNVQNFPO-CWFSZBLJSA-N 1 0 355.438 2.881 20 5 FFBDRO O=C(NC1CC[NH+](C2CCCC2)CC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000177424797 510050864 /nfs/dbraw/zinc/05/08/64/510050864.db2.gz CXVBNNFIFZMWTG-UHFFFAOYSA-N 1 0 362.386 2.640 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC2(CC[NH2+]C2)CC1 ZINC000261778858 510060928 /nfs/dbraw/zinc/06/09/28/510060928.db2.gz KYZVDXWGBDRBGD-UHFFFAOYSA-N 1 0 368.231 2.573 20 5 FFBDRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3ccccc3[N+](=O)[O-])nc2)CC1 ZINC000268696304 510075366 /nfs/dbraw/zinc/07/53/66/510075366.db2.gz GEMDIKVZNJKYLH-UHFFFAOYSA-N 1 0 369.425 2.773 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[NH2+]C[C@@H]1c1ccccc1OC ZINC000261838686 510083213 /nfs/dbraw/zinc/08/32/13/510083213.db2.gz UFDRZRITHBCXSK-QGZVFWFLSA-N 1 0 357.410 2.759 20 5 FFBDRO C[N@H+](CCOc1ccc(C(F)(F)F)cc1)CCn1cc([N+](=O)[O-])cn1 ZINC000190369010 510091122 /nfs/dbraw/zinc/09/11/22/510091122.db2.gz BEHJWHZHDSYRAC-UHFFFAOYSA-N 1 0 358.320 2.821 20 5 FFBDRO Cn1cnc([N+](=O)[O-])c1N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000268847594 510097177 /nfs/dbraw/zinc/09/71/77/510097177.db2.gz PXYPUVCDOQVYOU-SJORKVTESA-N 1 0 355.442 2.819 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)Cc2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000245803151 510151580 /nfs/dbraw/zinc/15/15/80/510151580.db2.gz YBZOQNDGQFZZMT-ZFWWWQNUSA-N 1 0 351.447 2.774 20 5 FFBDRO Cc1nn(CCC(=O)N(CC[NH+](C)C)C2CCCCC2)c(C)c1[N+](=O)[O-] ZINC000171442219 510161057 /nfs/dbraw/zinc/16/10/57/510161057.db2.gz TYJXGMBPAFJIHR-UHFFFAOYSA-N 1 0 365.478 2.521 20 5 FFBDRO C[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(C(F)(F)F)c1 ZINC000174661900 510236697 /nfs/dbraw/zinc/23/66/97/510236697.db2.gz FBLCOCZNEHSMJW-QMTHXVAHSA-N 1 0 358.320 2.522 20 5 FFBDRO CCCO[C@H]1CCC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000246016833 510251013 /nfs/dbraw/zinc/25/10/13/510251013.db2.gz KBRIBVHRNLJJMP-ROUUACIJSA-N 1 0 361.442 2.981 20 5 FFBDRO CCOc1ccc(NC(=O)CN(C)CCCOC(C)C)c([N+](=O)[O-])c1 ZINC000265835443 510254390 /nfs/dbraw/zinc/25/43/90/510254390.db2.gz DYZBWMKSCNGNFB-UHFFFAOYSA-N 1 0 353.419 2.679 20 5 FFBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000184341581 510272766 /nfs/dbraw/zinc/27/27/66/510272766.db2.gz YNAPVQGWELYPER-CYBMUJFWSA-N 1 0 374.466 2.881 20 5 FFBDRO O=C(NCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)c1ccn[nH]1 ZINC000181135504 510283342 /nfs/dbraw/zinc/28/33/42/510283342.db2.gz WAUNXVGAZRRFQA-UHFFFAOYSA-N 1 0 371.422 2.566 20 5 FFBDRO CN(CCOc1ccc([N+](=O)[O-])cc1)Cc1ccc(S(C)(=O)=O)cc1 ZINC000265899959 510288611 /nfs/dbraw/zinc/28/86/11/510288611.db2.gz UOJBJHKCNYVERK-UHFFFAOYSA-N 1 0 364.423 2.509 20 5 FFBDRO O=C(NC1CC[NH2+]CC1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000262521482 510307791 /nfs/dbraw/zinc/30/77/91/510307791.db2.gz XAHLUSFFDBMFLN-UHFFFAOYSA-N 1 0 354.410 2.689 20 5 FFBDRO CC(C)[C@@H]([NH3+])CNC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000269251151 510309534 /nfs/dbraw/zinc/30/95/34/510309534.db2.gz GFVDHLPZDOVUCB-HIFRSBDPSA-N 1 0 371.441 2.876 20 5 FFBDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000262577239 510322936 /nfs/dbraw/zinc/32/29/36/510322936.db2.gz KGEHGJGEYKRDNX-DGCLKSJQSA-N 1 0 360.439 2.918 20 5 FFBDRO COc1cc(C[NH2+][C@H]2CCOC3(CCSCC3)C2)c([N+](=O)[O-])cc1O ZINC000269357646 510360182 /nfs/dbraw/zinc/36/01/82/510360182.db2.gz UQQJQXLGMVBVIP-ZDUSSCGKSA-N 1 0 368.455 2.843 20 5 FFBDRO Cc1ccc([C@@H](C)NC(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)cc1[N+](=O)[O-] ZINC000262702199 510375240 /nfs/dbraw/zinc/37/52/40/510375240.db2.gz CLWINDLOGWMDOR-HIFRSBDPSA-N 1 0 357.414 2.515 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)cn2)c1 ZINC000269418768 510397762 /nfs/dbraw/zinc/39/77/62/510397762.db2.gz JTSKKROQNZTNNY-OAHLLOKOSA-N 1 0 369.425 2.691 20 5 FFBDRO CC[NH+]1CCC(N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000266149768 510434597 /nfs/dbraw/zinc/43/45/97/510434597.db2.gz NCETUNFNGYCLGW-LLVKDONJSA-N 1 0 354.838 2.649 20 5 FFBDRO Cn1ccnc1C[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000194589982 510435591 /nfs/dbraw/zinc/43/55/91/510435591.db2.gz CWORRBGUFZICEU-ZDUSSCGKSA-N 1 0 359.386 2.691 20 5 FFBDRO COc1cc(C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)cc([N+](=O)[O-])c1OC ZINC000266168452 510444775 /nfs/dbraw/zinc/44/47/75/510444775.db2.gz QERWCIHNWHUXKG-AWEZNQCLSA-N 1 0 365.430 2.558 20 5 FFBDRO CC[C@@H]([NH2+]CCN1C(=O)NC2(CCCC2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000181542711 510465228 /nfs/dbraw/zinc/46/52/28/510465228.db2.gz BFXXDLVVRAYXKC-OAHLLOKOSA-N 1 0 360.414 2.500 20 5 FFBDRO CC[NH+](CC)CCCCNC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000171980007 510483440 /nfs/dbraw/zinc/48/34/40/510483440.db2.gz BUDKLXQQUJAJLR-UHFFFAOYSA-N 1 0 366.418 2.972 20 5 FFBDRO CN(CC(=O)N1CCC([NH+]2CCCCC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000266264106 510487198 /nfs/dbraw/zinc/48/71/98/510487198.db2.gz LXRQMEKIMJIUTE-UHFFFAOYSA-N 1 0 360.458 2.508 20 5 FFBDRO C[C@H](CNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)C[NH+]1CCCC1 ZINC000184733796 510490040 /nfs/dbraw/zinc/49/00/40/510490040.db2.gz TVFZPCAPCIJQTJ-GFCCVEGCSA-N 1 0 354.838 2.779 20 5 FFBDRO CC(C)(C)[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1F ZINC000181631306 510511533 /nfs/dbraw/zinc/51/15/33/510511533.db2.gz RAZQFVTUGNOUMO-CZUORRHYSA-N 1 0 368.384 2.807 20 5 FFBDRO C[C@@H](CS(C)(=O)=O)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000172121751 510553808 /nfs/dbraw/zinc/55/38/08/510553808.db2.gz BODAYDUTHMAERW-NSHDSACASA-N 1 0 354.453 2.846 20 5 FFBDRO Cc1cc(S(=O)(=O)N2CCN(C)CC23CCCCC3)ccc1[N+](=O)[O-] ZINC000175312563 510583976 /nfs/dbraw/zinc/58/39/76/510583976.db2.gz OPXNMZWTKZIUEP-UHFFFAOYSA-N 1 0 367.471 2.542 20 5 FFBDRO CCC[NH+]1CCC(CNC(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000194935961 510600867 /nfs/dbraw/zinc/60/08/67/510600867.db2.gz GDKZGPVBZCWHNJ-UHFFFAOYSA-N 1 0 350.419 2.847 20 5 FFBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)NCc2ccc3c(c2)OCO3)cc1[N+](=O)[O-] ZINC000181814841 510608460 /nfs/dbraw/zinc/60/84/60/510608460.db2.gz DOOPEHCFEPNDKX-CYBMUJFWSA-N 1 0 371.393 2.599 20 5 FFBDRO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000269997237 510634169 /nfs/dbraw/zinc/63/41/69/510634169.db2.gz WUDULKAMAJVHPB-IXKJSCDLSA-N 1 0 359.426 2.859 20 5 FFBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)cccc1[N+](=O)[O-] ZINC000270046934 510651467 /nfs/dbraw/zinc/65/14/67/510651467.db2.gz UBVRZXCSLRIJCX-NSNWQYSKSA-N 1 0 359.426 2.777 20 5 FFBDRO CCS[C@@H]1CC[C@@H]([N@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000181931756 510666144 /nfs/dbraw/zinc/66/61/44/510666144.db2.gz OUSDZZUUMCWSGQ-QLFBSQMISA-N 1 0 354.472 2.941 20 5 FFBDRO Cn1cccc1[C@@H]1CCCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181939536 510670739 /nfs/dbraw/zinc/67/07/39/510670739.db2.gz ZMNKOMKOODNARP-RDJZCZTQSA-N 1 0 359.426 2.900 20 5 FFBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000172411801 510713505 /nfs/dbraw/zinc/71/35/05/510713505.db2.gz QTWNBTAFMINZND-UHFFFAOYSA-N 1 0 361.442 2.588 20 5 FFBDRO Cc1ccccc1C[C@H](CO)[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000191567206 510726192 /nfs/dbraw/zinc/72/61/92/510726192.db2.gz MUFVALKWEARULY-CRAIPNDOSA-N 1 0 371.437 2.814 20 5 FFBDRO Cc1nccn1C[C@@H](C)C[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000178700183 510727791 /nfs/dbraw/zinc/72/77/91/510727791.db2.gz FTMFLGNTNUMBDF-KBPBESRZSA-N 1 0 359.430 2.743 20 5 FFBDRO CN1CC[C@H]([NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@H]1c1ccccc1 ZINC000270235558 510727859 /nfs/dbraw/zinc/72/78/59/510727859.db2.gz BEGHVEQKPREZPX-RBUKOAKNSA-N 1 0 369.421 2.996 20 5 FFBDRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000246914935 510742796 /nfs/dbraw/zinc/74/27/96/510742796.db2.gz INPLEWFYGKULQB-ZFWWWQNUSA-N 1 0 351.834 2.876 20 5 FFBDRO CC(C)(C)OC(=O)NC[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000185232466 510760159 /nfs/dbraw/zinc/76/01/59/510760159.db2.gz FQVMSKJOSXMPTE-CVEARBPZSA-N 1 0 365.430 2.521 20 5 FFBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000191653284 510774209 /nfs/dbraw/zinc/77/42/09/510774209.db2.gz NAUSFVVCWWQOOT-CABCVRRESA-N 1 0 360.458 2.904 20 5 FFBDRO CCSc1ccc([C@H](C)[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000182136747 510775490 /nfs/dbraw/zinc/77/54/90/510775490.db2.gz JJUBGLNZXDQLBJ-SWLSCSKDSA-N 1 0 350.444 2.615 20 5 FFBDRO C[C@@H]1CN(C(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000188482867 510789898 /nfs/dbraw/zinc/78/98/98/510789898.db2.gz HSAWKOLICYTIHA-SOUVJXGZSA-N 1 0 360.458 2.511 20 5 FFBDRO CCCN(C(=O)Cn1c2ccccc2c(=O)c2ccccc21)[C@H]1CC[NH2+]C1 ZINC000178902255 510829319 /nfs/dbraw/zinc/82/93/19/510829319.db2.gz LGVXAZFEQQOYOW-INIZCTEOSA-N 1 0 363.461 2.755 20 5 FFBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000247111225 510836489 /nfs/dbraw/zinc/83/64/89/510836489.db2.gz LOAVKESDIAXOQD-BBRMVZONSA-N 1 0 351.834 2.733 20 5 FFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000247267803 510854949 /nfs/dbraw/zinc/85/49/49/510854949.db2.gz FIQCKGSRMPODET-XEZPLFJOSA-N 1 0 351.472 2.874 20 5 FFBDRO CCc1ccc([C@H]2CCCCC[N@@H+]2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)o1 ZINC000247500217 510863394 /nfs/dbraw/zinc/86/33/94/510863394.db2.gz LPWLQSAWIQDKDK-NVXWUHKLSA-N 1 0 362.430 2.925 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)CCCNc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000247557967 510865654 /nfs/dbraw/zinc/86/56/54/510865654.db2.gz ZINRTXZBPSFAJB-MAUKXSAKSA-N 1 0 362.474 2.976 20 5 FFBDRO CN(C)c1cc(F)c(C(=O)NC2CC[NH+](C3CCC3)CC2)cc1[N+](=O)[O-] ZINC000297279112 510884538 /nfs/dbraw/zinc/88/45/38/510884538.db2.gz WIGXMZDPHVABAR-UHFFFAOYSA-N 1 0 364.421 2.547 20 5 FFBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000360341608 510898499 /nfs/dbraw/zinc/89/84/99/510898499.db2.gz GOUYEPYYYAUQFJ-NWDGAFQWSA-N 1 0 368.231 2.714 20 5 FFBDRO C[N@@H+]1CC[C@@H](NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)[C@@H]1c1ccccc1 ZINC000270607709 510922262 /nfs/dbraw/zinc/92/22/62/510922262.db2.gz DWFFNIBEBHYFFG-APWZRJJASA-N 1 0 373.384 2.674 20 5 FFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000361035447 510983932 /nfs/dbraw/zinc/98/39/32/510983932.db2.gz ZQBGNAVEJWZFSK-KUHUBIRLSA-N 1 0 368.437 2.939 20 5 FFBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000285659507 510998037 /nfs/dbraw/zinc/99/80/37/510998037.db2.gz FHTWSDWEKNXVEB-RHSMWYFYSA-N 1 0 356.426 2.635 20 5 FFBDRO Cc1ccc(C(=O)N2CCC(N3CC[NH+](C(C)C)CC3)CC2)cc1[N+](=O)[O-] ZINC000270835990 510999701 /nfs/dbraw/zinc/99/97/01/510999701.db2.gz DHFXFHIFQQPVQZ-UHFFFAOYSA-N 1 0 374.485 2.534 20 5 FFBDRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C)C1 ZINC000282505448 511003893 /nfs/dbraw/zinc/00/38/93/511003893.db2.gz PIVPLETXQBGXNS-CQSZACIVSA-N 1 0 358.446 2.558 20 5 FFBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)cc1 ZINC000286515341 511027735 /nfs/dbraw/zinc/02/77/35/511027735.db2.gz NACHZEYTDQXRCR-SWLSCSKDSA-N 1 0 362.348 2.856 20 5 FFBDRO CC1CC[NH+](CCc2cccc(NC(=O)c3n[nH]cc3[N+](=O)[O-])c2)CC1 ZINC000271239690 511133692 /nfs/dbraw/zinc/13/36/92/511133692.db2.gz FLNVJXLPTVIQSR-UHFFFAOYSA-N 1 0 357.414 2.845 20 5 FFBDRO CS(=O)(=O)CC1CCC([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000294690454 511143817 /nfs/dbraw/zinc/14/38/17/511143817.db2.gz BRLXUBZLNKJNEL-UHFFFAOYSA-N 1 0 360.863 2.941 20 5 FFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@H]2O)c(Cl)c1 ZINC000282959912 511177985 /nfs/dbraw/zinc/17/79/85/511177985.db2.gz YIZAIBPPCYKJBI-BBRMVZONSA-N 1 0 354.834 2.906 20 5 FFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000279809195 511222423 /nfs/dbraw/zinc/22/24/23/511222423.db2.gz XDFLUUUBCQJXCL-MRXNPFEDSA-N 1 0 369.421 2.998 20 5 FFBDRO O=C(c1cc(F)ccc1[N+](=O)[O-])N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000279813612 511225866 /nfs/dbraw/zinc/22/58/66/511225866.db2.gz ZXDBYULCAYUDFU-IYBDPMFKSA-N 1 0 369.396 2.938 20 5 FFBDRO C[C@@H](O)C[C@@H]1CCCCN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000279824545 511230862 /nfs/dbraw/zinc/23/08/62/511230862.db2.gz QQOIGGPCHLLRHL-HIFRSBDPSA-N 1 0 358.398 2.546 20 5 FFBDRO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C3CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000362776420 511236525 /nfs/dbraw/zinc/23/65/25/511236525.db2.gz UZUNJGCMPSLDGW-HOCLYGCPSA-N 1 0 361.442 2.979 20 5 FFBDRO COc1cc(C(=O)NCC2(C[NH+](C)C)CCCC2)c([N+](=O)[O-])cc1F ZINC000295004046 511250601 /nfs/dbraw/zinc/25/06/01/511250601.db2.gz RVLKBNBHRMEFNT-UHFFFAOYSA-N 1 0 353.394 2.594 20 5 FFBDRO Cn1cc([C@@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3)CC23CCOCC3)cn1 ZINC000295098306 511281315 /nfs/dbraw/zinc/28/13/15/511281315.db2.gz UMTATYCPVYRAGO-SFHVURJKSA-N 1 0 356.426 2.725 20 5 FFBDRO CCOc1cc(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)ccc1[N+](=O)[O-] ZINC000365188766 511307448 /nfs/dbraw/zinc/30/74/48/511307448.db2.gz GAIIPLKMWKIBAR-JTDSTZFVSA-N 1 0 363.458 2.677 20 5 FFBDRO O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000365229140 511329000 /nfs/dbraw/zinc/32/90/00/511329000.db2.gz VCYNKZWKDXALFD-SMDDNHRTSA-N 1 0 358.423 2.542 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCC(F)(F)[C@H](CO)C3)o2)c1 ZINC000291907060 511387157 /nfs/dbraw/zinc/38/71/57/511387157.db2.gz RPZXGUGPHHOGGM-ZDUSSCGKSA-N 1 0 367.352 2.742 20 5 FFBDRO CS[C@@H]1CN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]1[NH+](C)C ZINC000271985069 511392413 /nfs/dbraw/zinc/39/24/13/511392413.db2.gz FEPBSBRPNVPUPV-HZPDHXFCSA-N 1 0 362.455 2.727 20 5 FFBDRO O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)NCC1CC[NH+](C2CC2)CC1 ZINC000295715772 511493416 /nfs/dbraw/zinc/49/34/16/511493416.db2.gz UXPSBLGBBKSGEE-UHFFFAOYSA-N 1 0 359.426 2.548 20 5 FFBDRO O=C(CN1CCOC[C@@H](C2CCC2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000292193500 511500897 /nfs/dbraw/zinc/50/08/97/511500897.db2.gz RNUMIKNJESRSQF-ZDUSSCGKSA-N 1 0 367.833 2.935 20 5 FFBDRO CC[C@H](O)[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000299222123 511557331 /nfs/dbraw/zinc/55/73/31/511557331.db2.gz IOJFTQSEYZHURT-WBVHZDCISA-N 1 0 365.430 2.557 20 5 FFBDRO O=C(CC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)Nc1cc([N+](=O)[O-])ccc1F ZINC000296168861 511642864 /nfs/dbraw/zinc/64/28/64/511642864.db2.gz UWVGATPUBSSICT-JLZZUVOBSA-N 1 0 363.389 2.610 20 5 FFBDRO Cc1ccc(N2CCC[N@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])CC2)cc1 ZINC000363618443 511660768 /nfs/dbraw/zinc/66/07/68/511660768.db2.gz GQUHBKLTHSTLMC-UHFFFAOYSA-N 1 0 368.437 2.714 20 5 FFBDRO CCOc1ccc([C@@H](C)[NH2+]CC2(S(C)(=O)=O)CCC2)cc1[N+](=O)[O-] ZINC000281006126 511685670 /nfs/dbraw/zinc/68/56/70/511685670.db2.gz NXCIEFBMSKXFIO-GFCCVEGCSA-N 1 0 356.444 2.611 20 5 FFBDRO CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000284360439 511696297 /nfs/dbraw/zinc/69/62/97/511696297.db2.gz KRQLJYHJULPHHC-QGZVFWFLSA-N 1 0 370.457 2.938 20 5 FFBDRO CCCN(CC[NH+](CC)CC)C(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 ZINC000274062149 511707728 /nfs/dbraw/zinc/70/77/28/511707728.db2.gz PBSFMWTYZIHUKT-UHFFFAOYSA-N 1 0 367.446 2.806 20 5 FFBDRO Cn1ccnc1[C@H]1N(C(=O)NCCc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000296461204 511752960 /nfs/dbraw/zinc/75/29/60/511752960.db2.gz KZHNXJLVBSGCGS-OAHLLOKOSA-N 1 0 357.414 2.664 20 5 FFBDRO CC(C)[C@@H](CNc1nccc2cc([N+](=O)[O-])ccc21)[NH+]1CCN(C)CC1 ZINC000296489002 511764711 /nfs/dbraw/zinc/76/47/11/511764711.db2.gz KZCJAFMJONCLQL-GOSISDBHSA-N 1 0 357.458 2.827 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])o1)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000365999260 511776996 /nfs/dbraw/zinc/77/69/96/511776996.db2.gz YKJZLMUWTGVRJD-HZPDHXFCSA-N 1 0 355.394 2.782 20 5 FFBDRO CCNC(=O)C[C@H]1CCCC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000284654050 511811086 /nfs/dbraw/zinc/81/10/86/511811086.db2.gz GCVCAGJKMGNHKJ-OAHLLOKOSA-N 1 0 373.413 2.526 20 5 FFBDRO CC[C@H]([NH2+][C@@H]1CCC(=O)N(C)[C@H]1c1ccnn1C)c1cccc([N+](=O)[O-])c1 ZINC000284720678 511839270 /nfs/dbraw/zinc/83/92/70/511839270.db2.gz CLUOVCCBJVHQJL-FRQCXROJSA-N 1 0 371.441 2.731 20 5 FFBDRO CCC[C@@H]([NH2+]CCCN(CC)S(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000325124396 511845759 /nfs/dbraw/zinc/84/57/59/511845759.db2.gz AJDJPDZQWUVJBG-MRXNPFEDSA-N 1 0 357.476 2.697 20 5 FFBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H](O)COCc2ccc(Cl)cc2)cc1 ZINC000326592850 511859911 /nfs/dbraw/zinc/85/99/11/511859911.db2.gz DHYQAGPGWMJYOR-GOSISDBHSA-N 1 0 364.829 2.958 20 5 FFBDRO CN(CCC[NH+]1CCCC1)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000281636865 511916701 /nfs/dbraw/zinc/91/67/01/511916701.db2.gz HBCIEAFQCHPVIR-UHFFFAOYSA-N 1 0 360.458 2.753 20 5 FFBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293353978 511934818 /nfs/dbraw/zinc/93/48/18/511934818.db2.gz KXMZRIYPIUGQTA-YMTOWFKASA-N 1 0 357.332 2.826 20 5 FFBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2NCC1([NH+](C)C)CCOCC1 ZINC000296969160 511970870 /nfs/dbraw/zinc/97/08/70/511970870.db2.gz CZJHYEDVIRBAPH-UHFFFAOYSA-N 1 0 360.414 2.674 20 5 FFBDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293601843 512023688 /nfs/dbraw/zinc/02/36/88/512023688.db2.gz VBXMPEWWCOEUHF-KGLIPLIRSA-N 1 0 357.332 2.970 20 5 FFBDRO Cn1cc(C[NH+]2CCC3(CC2)OCCCO3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000293608052 512025460 /nfs/dbraw/zinc/02/54/60/512025460.db2.gz JTXPPFOWHUPHRB-UHFFFAOYSA-N 1 0 372.425 2.724 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H](CC[NH3+])C2)cc1SC ZINC000282013814 512046847 /nfs/dbraw/zinc/04/68/47/512046847.db2.gz ROIUFMKXWNVFLU-LLVKDONJSA-N 1 0 353.444 2.526 20 5 FFBDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)CCCNc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000293827376 512093341 /nfs/dbraw/zinc/09/33/41/512093341.db2.gz BRCAFEDEHGPGDP-IBGZPJMESA-N 1 0 360.458 2.731 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(OC[C@H]2CCOC2)CC1 ZINC000373778120 512500217 /nfs/dbraw/zinc/50/02/17/512500217.db2.gz RCDQJWACBKUGBP-AWEZNQCLSA-N 1 0 350.415 2.621 20 5 FFBDRO CC(C)[NH+]1CCN([C@H]2CCN(c3ccc4ncccc4c3[N+](=O)[O-])C2)CC1 ZINC000375871641 512547236 /nfs/dbraw/zinc/54/72/36/512547236.db2.gz LXQOGXAWQPAQFA-INIZCTEOSA-N 1 0 369.469 2.748 20 5 FFBDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3cnn(Cc4ccccc4)c3)CC2)n1 ZINC000369675264 512548263 /nfs/dbraw/zinc/54/82/63/512548263.db2.gz ALJHKASJZIBZRE-UHFFFAOYSA-N 1 0 366.425 2.873 20 5 FFBDRO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H](CCO)c1ccccc1 ZINC000411287893 512563512 /nfs/dbraw/zinc/56/35/12/512563512.db2.gz BJWJMHWMZGTNKT-SFHVURJKSA-N 1 0 357.410 2.979 20 5 FFBDRO O=C(NC1CC([NH+]2CCCCC2)C1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000376019970 512620162 /nfs/dbraw/zinc/62/01/62/512620162.db2.gz CSRHOPAIANVSLQ-UHFFFAOYSA-N 1 0 358.442 2.916 20 5 FFBDRO C[C@@H]1C[C@@]2(CCO1)CN(Cc1nc3cc([N+](=O)[O-])ccc3o1)C[C@H](C)O2 ZINC000374018071 512624375 /nfs/dbraw/zinc/62/43/75/512624375.db2.gz MVMLEZMKXPQCDR-VBHSOAQHSA-N 1 0 361.398 2.894 20 5 FFBDRO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000378233225 512651479 /nfs/dbraw/zinc/65/14/79/512651479.db2.gz UCUMMCIEIPRECU-QGZVFWFLSA-N 1 0 372.469 2.799 20 5 FFBDRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000411548972 512683815 /nfs/dbraw/zinc/68/38/15/512683815.db2.gz GKFSDBJQWLHUEQ-YSIASYRMSA-N 1 0 367.449 2.987 20 5 FFBDRO COC[C@H]1CCCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000372103221 512717196 /nfs/dbraw/zinc/71/71/96/512717196.db2.gz QXVRFFKGKWMZSD-AWEZNQCLSA-N 1 0 365.430 2.681 20 5 FFBDRO Cc1c(NC(=O)CC[N@H+]2CC[C@H](Cc3cnn(C)c3)C2)cccc1[N+](=O)[O-] ZINC000370012963 512727725 /nfs/dbraw/zinc/72/77/25/512727725.db2.gz UKXSPVFPJHDPGS-OAHLLOKOSA-N 1 0 371.441 2.530 20 5 FFBDRO COc1ccc(NC(=O)CC[N@@H+]2CCCCC[C@@H]2CCO)c([N+](=O)[O-])c1 ZINC000411697889 512766452 /nfs/dbraw/zinc/76/64/52/512766452.db2.gz LJMXTRXEYFDYGI-CQSZACIVSA-N 1 0 365.430 2.559 20 5 FFBDRO COc1ccc(NC(=O)CC[N@H+](C)[C@H](CO)CC(C)(C)C)c([N+](=O)[O-])c1 ZINC000411784745 512810151 /nfs/dbraw/zinc/81/01/51/512810151.db2.gz AJXLOKZSAOWGCQ-ZDUSSCGKSA-N 1 0 367.446 2.661 20 5 FFBDRO Cn1ccnc1[C@H](N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000378563070 512825879 /nfs/dbraw/zinc/82/58/79/512825879.db2.gz RPNPHXGVQGCEDT-CGTJXYLNSA-N 1 0 355.442 2.634 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000374429937 512829735 /nfs/dbraw/zinc/82/97/35/512829735.db2.gz QOUBTSVFGHACGJ-VDZJLULYSA-N 1 0 363.458 2.677 20 5 FFBDRO O=C(c1cccc([N+](=O)[O-])c1Br)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000376543092 512865213 /nfs/dbraw/zinc/86/52/13/512865213.db2.gz WBDDCWGBBQTJGA-LLVKDONJSA-N 1 0 368.231 2.668 20 5 FFBDRO C[C@@H]1[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC[N@@H+]1Cc1ccccc1 ZINC000383835702 512881376 /nfs/dbraw/zinc/88/13/76/512881376.db2.gz SXBJJCHULPGTKW-WBMJQRKESA-N 1 0 372.400 2.709 20 5 FFBDRO COc1ccc(OCC[N@@H+]2C[C@@H](O)C[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000411949315 512885419 /nfs/dbraw/zinc/88/54/19/512885419.db2.gz QKBABSOVNRSZHP-RDJZCZTQSA-N 1 0 358.394 2.790 20 5 FFBDRO NC(=O)c1ccccc1N1CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000374597694 512909875 /nfs/dbraw/zinc/90/98/75/512909875.db2.gz WBFZVCQAMDEHTP-CYBMUJFWSA-N 1 0 374.828 2.716 20 5 FFBDRO COC(=O)c1cn([C@@H]2CCC[N@@H+]([C@H](C)c3cc([N+](=O)[O-])ccc3C)C2)nn1 ZINC000368356454 512912361 /nfs/dbraw/zinc/91/23/61/512912361.db2.gz AOFWSSUYXXFJPK-UKRRQHHQSA-N 1 0 373.413 2.679 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1SC ZINC000374627353 512925162 /nfs/dbraw/zinc/92/51/62/512925162.db2.gz XBDRQYVXCBCVPH-WCFLWFBJSA-N 1 0 365.455 2.525 20 5 FFBDRO C[NH+](C)C1(CNc2ccc(I)cc2[N+](=O)[O-])CC1 ZINC000397731832 512948653 /nfs/dbraw/zinc/94/86/53/512948653.db2.gz AISDQORFYIBZFD-UHFFFAOYSA-N 1 0 361.183 2.706 20 5 FFBDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3cnn(-c4ccccc4)c3)CC2)n1 ZINC000368475761 512965984 /nfs/dbraw/zinc/96/59/84/512965984.db2.gz WDAKLCPESDEWBU-UHFFFAOYSA-N 1 0 352.398 2.814 20 5 FFBDRO Cc1ncc2c(n1)CC[C@@H]([NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)C2 ZINC000370671358 513044552 /nfs/dbraw/zinc/04/45/52/513044552.db2.gz QKKNBCJNNVUHAD-MLGOLLRUSA-N 1 0 369.425 2.557 20 5 FFBDRO C[C@@H]1CN(C/C=C/c2ccccc2[N+](=O)[O-])CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000370705133 513061343 /nfs/dbraw/zinc/06/13/43/513061343.db2.gz DZXSOFJFPAQGJB-RJGJNRFASA-N 1 0 358.486 2.566 20 5 FFBDRO COC[C@H]1CCCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000372903378 513096857 /nfs/dbraw/zinc/09/68/57/513096857.db2.gz ZGDIYJKRAAVNRP-ZDUSSCGKSA-N 1 0 353.394 2.811 20 5 FFBDRO Cc1cc(C[NH3+])cc(NC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000424427697 513139975 /nfs/dbraw/zinc/13/99/75/513139975.db2.gz QKIRRPGFJHZFFD-UHFFFAOYSA-N 1 0 356.382 2.788 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)NC3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2[N+](=O)[O-])C1 ZINC000428605872 513139907 /nfs/dbraw/zinc/13/99/07/513139907.db2.gz ZYDXXEJFJFFQPU-KTFSGNIMSA-N 1 0 372.469 2.844 20 5 FFBDRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000445904614 513144929 /nfs/dbraw/zinc/14/49/29/513144929.db2.gz RXVGSNZSQCQTAM-GJZGRUSLSA-N 1 0 360.458 2.925 20 5 FFBDRO O=C(NC1CC1)c1ccc(NC[C@@H]2CCCC[N@@H+]2C2CC2)c([N+](=O)[O-])c1 ZINC000433799381 513154027 /nfs/dbraw/zinc/15/40/27/513154027.db2.gz QZILMJHTEDRAEV-INIZCTEOSA-N 1 0 358.442 2.916 20 5 FFBDRO COC1CC[NH+](C(C)(C)CNC(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000446054596 513172096 /nfs/dbraw/zinc/17/20/96/513172096.db2.gz QPRYTKGUEJZDRK-UHFFFAOYSA-N 1 0 363.458 2.533 20 5 FFBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)NCCCCc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000417714912 513177572 /nfs/dbraw/zinc/17/75/72/513177572.db2.gz IAEAVUGWACLVKA-BPQIPLTHSA-N 1 0 360.458 2.686 20 5 FFBDRO C[C@H]1CN(c2nccc3cc([N+](=O)[O-])ccc32)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000450404054 513180132 /nfs/dbraw/zinc/18/01/32/513180132.db2.gz BTJDDZVJDVYPRB-KXBFYZLASA-N 1 0 369.469 2.605 20 5 FFBDRO Cc1nc(Nc2cccc(N3CC[NH+](C(C)C)CC3)c2)ncc1[N+](=O)[O-] ZINC000450417091 513185801 /nfs/dbraw/zinc/18/58/01/513185801.db2.gz IOGIFRDYYZOPJW-UHFFFAOYSA-N 1 0 356.430 2.967 20 5 FFBDRO CCC[NH+]1CCC(NC(=O)Nc2cc([N+](=O)[O-])ccc2OCC)CC1 ZINC000439879925 513202259 /nfs/dbraw/zinc/20/22/59/513202259.db2.gz IAMIQISVXHZIGR-UHFFFAOYSA-N 1 0 350.419 2.989 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000439914880 513209891 /nfs/dbraw/zinc/20/98/91/513209891.db2.gz NWGVKEJYWAVMBR-ZDUSSCGKSA-N 1 0 350.419 2.847 20 5 FFBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@H](C)C1 ZINC000428992585 513243384 /nfs/dbraw/zinc/24/33/84/513243384.db2.gz BHAUZZYUBWEZOP-JKIFEVAISA-N 1 0 371.441 2.807 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N[C@H]3CCC[C@@H]([NH3+])C3)cc2[N+](=O)[O-])C1 ZINC000446399297 513255821 /nfs/dbraw/zinc/25/58/21/513255821.db2.gz XGORUHBTXSCYCG-BMFZPTHFSA-N 1 0 360.458 2.831 20 5 FFBDRO COc1cc(CN2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000429039199 513263799 /nfs/dbraw/zinc/26/37/99/513263799.db2.gz HIZBCVVEPVTHON-HEHGZKQESA-N 1 0 351.422 2.905 20 5 FFBDRO [NH3+]CCC[C@H](NC(=O)NCCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000417932289 513286360 /nfs/dbraw/zinc/28/63/60/513286360.db2.gz CQCOZDNPEKIKOA-SFHVURJKSA-N 1 0 356.426 2.917 20 5 FFBDRO CC(C)[C@@H]([NH3+])CNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000429147382 513290826 /nfs/dbraw/zinc/29/08/26/513290826.db2.gz ACVHDFIJVSEGMT-INIZCTEOSA-N 1 0 356.426 2.920 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000415499657 513294756 /nfs/dbraw/zinc/29/47/56/513294756.db2.gz KFNSALXSLPMZDE-MRXNPFEDSA-N 1 0 356.382 2.612 20 5 FFBDRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000417947578 513299068 /nfs/dbraw/zinc/29/90/68/513299068.db2.gz SKQZZZUCUXQIIA-SFHVURJKSA-N 1 0 356.426 2.699 20 5 FFBDRO C[C@H]([NH3+])C1CCN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000417982047 513315334 /nfs/dbraw/zinc/31/53/34/513315334.db2.gz DIUKMIUCOINCOQ-NSHDSACASA-N 1 0 354.838 2.560 20 5 FFBDRO CC(=O)N1CCC[N@H+](C[C@@H]2CCCN(c3ccc([N+](=O)[O-])c(C)c3)C2)CC1 ZINC000450777153 513336324 /nfs/dbraw/zinc/33/63/24/513336324.db2.gz RWHNXASQKBLYOJ-SFHVURJKSA-N 1 0 374.485 2.674 20 5 FFBDRO Cc1cc(N[C@H]2CCO[C@@H](c3ccnn3C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000450844731 513365223 /nfs/dbraw/zinc/36/52/23/513365223.db2.gz QAHJASQXPMQDNJ-ORAYPTAESA-N 1 0 367.409 2.939 20 5 FFBDRO C[NH+](C)C1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000421684352 513370105 /nfs/dbraw/zinc/37/01/05/513370105.db2.gz JRMAAILTWIPRIE-UHFFFAOYSA-N 1 0 370.247 2.960 20 5 FFBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000421708042 513380770 /nfs/dbraw/zinc/38/07/70/513380770.db2.gz YXVUESBTUSIATG-NSHDSACASA-N 1 0 356.220 2.524 20 5 FFBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000415701726 513388394 /nfs/dbraw/zinc/38/83/94/513388394.db2.gz OLLAEMYJMLCPIO-WPRPVWTQSA-N 1 0 357.208 2.606 20 5 FFBDRO CC(C)[C@@](C)(C[NH3+])NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415702223 513388755 /nfs/dbraw/zinc/38/87/55/513388755.db2.gz PIVVOCCJYGWIHE-CYBMUJFWSA-N 1 0 359.224 2.852 20 5 FFBDRO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000415702864 513389860 /nfs/dbraw/zinc/38/98/60/513389860.db2.gz QCGZEBZGFIIRQT-GFCCVEGCSA-N 1 0 369.219 2.716 20 5 FFBDRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415705282 513391460 /nfs/dbraw/zinc/39/14/60/513391460.db2.gz SYMUDFYHVBKROQ-LBPRGKRZSA-N 1 0 371.235 2.867 20 5 FFBDRO C[C@H]1CC[C@H]([N@H+](CCO)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000429755139 513457956 /nfs/dbraw/zinc/45/79/56/513457956.db2.gz ASQWJHWVEQKNSI-RYUDHWBXSA-N 1 0 355.822 2.670 20 5 FFBDRO C[C@H]1CC[C@@H]([N@H+](CCO)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000429755138 513458209 /nfs/dbraw/zinc/45/82/09/513458209.db2.gz ASQWJHWVEQKNSI-NWDGAFQWSA-N 1 0 355.822 2.670 20 5 FFBDRO C[N@@H+]1CCCC[C@H]1CN1CCN(c2ccc([N+](=O)[O-])c3ncccc23)CC1 ZINC000413137881 513473188 /nfs/dbraw/zinc/47/31/88/513473188.db2.gz OZPMTUCDARHUBI-INIZCTEOSA-N 1 0 369.469 2.749 20 5 FFBDRO C[N@@H+]1CCCC[C@@H]1CN1CCN(c2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413137857 513473244 /nfs/dbraw/zinc/47/32/44/513473244.db2.gz OZELZLRJPQLJMU-GOSISDBHSA-N 1 0 369.469 2.749 20 5 FFBDRO O=[N+]([O-])c1cnc(NC2CC[NH+](C[C@H]3CCOC3)CC2)c(C(F)(F)F)c1 ZINC000413152102 513485137 /nfs/dbraw/zinc/48/51/37/513485137.db2.gz BUAKGUCXHQLDST-LLVKDONJSA-N 1 0 374.363 2.921 20 5 FFBDRO O=C1CCCCCN1CCC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447514425 513493935 /nfs/dbraw/zinc/49/39/35/513493935.db2.gz FAJBOEGTKHRGFP-JKSUJKDBSA-N 1 0 363.462 2.657 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000415953083 513496248 /nfs/dbraw/zinc/49/62/48/513496248.db2.gz IAGXYQHHAIFVNN-UHFFFAOYSA-N 1 0 374.372 2.710 20 5 FFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCn2cnc3ccccc32)n1 ZINC000447535843 513500828 /nfs/dbraw/zinc/50/08/28/513500828.db2.gz IUGDURBQYRUFCG-RDJZCZTQSA-N 1 0 354.414 2.915 20 5 FFBDRO Cc1c(NC(=O)CC[N@@H+]2CCC[C@H]([C@H]3CCOC3)C2)cccc1[N+](=O)[O-] ZINC000441193829 513509163 /nfs/dbraw/zinc/50/91/63/513509163.db2.gz IAIWETVOMLRVAV-HOTGVXAUSA-N 1 0 361.442 2.980 20 5 FFBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3ccc(-c4cc[nH]n4)o3)C2)nc1 ZINC000435123567 513517956 /nfs/dbraw/zinc/51/79/56/513517956.db2.gz HPVGMSJFGYZLLE-LBPRGKRZSA-N 1 0 354.370 2.659 20 5 FFBDRO C[C@H]([NH2+]CC(=O)NC(=O)N[C@@H]1CCCC[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000451100599 513520696 /nfs/dbraw/zinc/52/06/96/513520696.db2.gz VSRYDXSKJDCZBR-HEHGZKQESA-N 1 0 362.430 2.650 20 5 FFBDRO C[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)NC(=O)NC1CCCCC1 ZINC000451101948 513522458 /nfs/dbraw/zinc/52/24/58/513522458.db2.gz GKPBJAWCWYBFCY-STQMWFEESA-N 1 0 362.430 2.792 20 5 FFBDRO CCNC(=O)c1cccc(NC(=O)C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000451105176 513525215 /nfs/dbraw/zinc/52/52/15/513525215.db2.gz SFASFPUZSHTCKR-ZDUSSCGKSA-N 1 0 370.409 2.634 20 5 FFBDRO O=[N+]([O-])c1ccccc1C[N@H+](CCc1nnnn1-c1ccccc1)C1CC1 ZINC000441270191 513525273 /nfs/dbraw/zinc/52/52/73/513525273.db2.gz TVCCJGJBEZYBRT-UHFFFAOYSA-N 1 0 364.409 2.778 20 5 FFBDRO C[C@H]([NH2+]CCC(=O)NCC(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000451105270 513525361 /nfs/dbraw/zinc/52/53/61/513525361.db2.gz SRBGZHSFTBCUCG-AWEZNQCLSA-N 1 0 355.394 2.635 20 5 FFBDRO C[C@H]([NH2+]CC(=O)NCCO[C@@H]1CCCC[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000451108133 513529074 /nfs/dbraw/zinc/52/90/74/513529074.db2.gz VFXCIYOWZPSZMO-RLFYNMQTSA-N 1 0 363.458 2.957 20 5 FFBDRO C[C@@H]([NH3+])c1ccc(CNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000418489783 513530875 /nfs/dbraw/zinc/53/08/75/513530875.db2.gz MHGOEBVXCIVDEH-CYBMUJFWSA-N 1 0 354.410 2.882 20 5 FFBDRO C[C@H]1C[N@H+](CCCNc2ncc([N+](=O)[O-])cc2C(F)(F)F)CCCO1 ZINC000413262296 513555780 /nfs/dbraw/zinc/55/57/80/513555780.db2.gz JRKYXCNKVMAIQA-NSHDSACASA-N 1 0 362.352 2.921 20 5 FFBDRO COc1cc(CN2CC[C@@H](C[NH3+])C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000435377933 513569236 /nfs/dbraw/zinc/56/92/36/513569236.db2.gz BHOKRPJHBDQHGT-KRWDZBQOSA-N 1 0 371.437 2.963 20 5 FFBDRO C[N@H+](Cc1ccc(Br)cc1[N+](=O)[O-])C1(CCO)CCOCC1 ZINC000425465381 513579690 /nfs/dbraw/zinc/57/96/90/513579690.db2.gz ZHPPFLUVJAVYRW-UHFFFAOYSA-N 1 0 373.247 2.721 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1CN1CC[NH+](CCc2ccccc2)CC1 ZINC000430224385 513592160 /nfs/dbraw/zinc/59/21/60/513592160.db2.gz YXPKDLDXXYLPAE-UHFFFAOYSA-N 1 0 355.438 2.964 20 5 FFBDRO O=C(CC[N@@H+]1CCc2ccccc2C1)NCCc1ccccc1[N+](=O)[O-] ZINC000416153678 513604414 /nfs/dbraw/zinc/60/44/14/513604414.db2.gz FBMUBMAAWSTGPX-UHFFFAOYSA-N 1 0 353.422 2.702 20 5 FFBDRO COCC(C)(C)[NH+]1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000425503320 513605267 /nfs/dbraw/zinc/60/52/67/513605267.db2.gz IOPQLXOFNYXUEQ-UHFFFAOYSA-N 1 0 374.441 2.792 20 5 FFBDRO CCOc1cc(CN2CC[NH+](C(C)(C)COC)CC2)ccc1[N+](=O)[O-] ZINC000425512905 513613270 /nfs/dbraw/zinc/61/32/70/513613270.db2.gz YWMRPCBNTNACAE-UHFFFAOYSA-N 1 0 351.447 2.536 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCC[C@H](n4ccnn4)C3)o2)c1 ZINC000425521395 513618931 /nfs/dbraw/zinc/61/89/31/513618931.db2.gz ZPBJZBBPKAJBRV-INIZCTEOSA-N 1 0 368.397 2.721 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)s1 ZINC000435637895 513647221 /nfs/dbraw/zinc/64/72/21/513647221.db2.gz QMAPHWGPBKJAAB-ZDUSSCGKSA-N 1 0 373.500 2.732 20 5 FFBDRO Cn1ccnc1C(=O)c1ccc(NCC[C@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000413437361 513656092 /nfs/dbraw/zinc/65/60/92/513656092.db2.gz KFVRMMCHHNMIED-CQSZACIVSA-N 1 0 371.441 2.703 20 5 FFBDRO CCN(CCC[NH+]1CCCC1)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000451291945 513657917 /nfs/dbraw/zinc/65/79/17/513657917.db2.gz BIMOCEYLEDJTFW-UHFFFAOYSA-N 1 0 371.441 2.933 20 5 FFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1c2ccccc2CC[C@H]1C[NH+](C)C ZINC000425636209 513672110 /nfs/dbraw/zinc/67/21/10/513672110.db2.gz XCLJZZPBDDUJNC-HNNXBMFYSA-N 1 0 354.410 2.821 20 5 FFBDRO NC(=O)C1CC[NH+](Cc2ccc(CNc3ccccc3[N+](=O)[O-])cc2)CC1 ZINC000413576611 513721211 /nfs/dbraw/zinc/72/12/11/513721211.db2.gz HRIDNSVFASTNSH-UHFFFAOYSA-N 1 0 368.437 2.904 20 5 FFBDRO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000430814601 513756420 /nfs/dbraw/zinc/75/64/20/513756420.db2.gz JGDPQAGSFBGLKZ-CVEARBPZSA-N 1 0 363.458 2.990 20 5 FFBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H]2C[C@@](C)(OC)C2(C)C)c([N+](=O)[O-])c1 ZINC000451485181 513781891 /nfs/dbraw/zinc/78/18/91/513781891.db2.gz IGXBZJLRJCUXCA-GEWABHDNSA-N 1 0 365.430 2.724 20 5 FFBDRO CCCN(Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000430924078 513783729 /nfs/dbraw/zinc/78/37/29/513783729.db2.gz HYFCHGFEDSKPSW-GFCCVEGCSA-N 1 0 359.373 2.779 20 5 FFBDRO COc1cc(C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000448593311 513799092 /nfs/dbraw/zinc/79/90/92/513799092.db2.gz YMTBYWNVNYAFGH-LBPRGKRZSA-N 1 0 353.394 2.737 20 5 FFBDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000436299605 513820499 /nfs/dbraw/zinc/82/04/99/513820499.db2.gz SKFMVQLEQCHWPR-QPSCCSFWSA-N 1 0 350.419 2.596 20 5 FFBDRO O=C(C[NH2+][C@@H]([C@H](CO)C1CC1)C1CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000451606911 513862615 /nfs/dbraw/zinc/86/26/15/513862615.db2.gz MGNYHAOOOVKLEX-CXAGYDPISA-N 1 0 367.833 2.573 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422715451 513910078 /nfs/dbraw/zinc/91/00/78/513910078.db2.gz MEJYGEBOALSARO-FXAWDEMLSA-N 1 0 369.421 2.949 20 5 FFBDRO C[C@@H]([NH3+])c1ccc(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000422921918 513976936 /nfs/dbraw/zinc/97/69/36/513976936.db2.gz RDYPTXSSLNIYQE-CQSZACIVSA-N 1 0 354.410 2.577 20 5 FFBDRO C[N@@H+]1CCCC[C@@H]1CCC(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[nH][nH]1 ZINC000431786288 514001932 /nfs/dbraw/zinc/00/19/32/514001932.db2.gz SACQPYJKXQZINJ-CQSZACIVSA-N 1 0 357.414 2.610 20 5 FFBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000448985467 514008225 /nfs/dbraw/zinc/00/82/25/514008225.db2.gz XGKHNFKMLHYXHI-INIZCTEOSA-N 1 0 361.442 2.938 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(N2CCO[C@@H](C)C2)nc1 ZINC000449085041 514065333 /nfs/dbraw/zinc/06/53/33/514065333.db2.gz ZXQDXHAGALBCCA-CVEARBPZSA-N 1 0 370.453 2.936 20 5 FFBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(C[NH+](C)C)cc1F ZINC000414393982 514088523 /nfs/dbraw/zinc/08/85/23/514088523.db2.gz JRRYCRVADLBINE-UHFFFAOYSA-N 1 0 367.402 2.905 20 5 FFBDRO O=C(CN1CCC([C@@H]2CCC[NH2+]2)CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000420333669 514098350 /nfs/dbraw/zinc/09/83/50/514098350.db2.gz IATXHQDEBLKSID-HNNXBMFYSA-N 1 0 366.849 2.651 20 5 FFBDRO COc1ccccc1N1CC[C@@H]([NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])C1=O ZINC000449191977 514107281 /nfs/dbraw/zinc/10/72/81/514107281.db2.gz PXXGZWLSIOAHII-GOEBONIOSA-N 1 0 369.421 2.930 20 5 FFBDRO Cc1c(NC(=O)[C@@H](C)N2C[C@@H]([NH3+])Cc3ccccc32)cccc1[N+](=O)[O-] ZINC000420396794 514129627 /nfs/dbraw/zinc/12/96/27/514129627.db2.gz DSVFOMSRYQORAV-HIFRSBDPSA-N 1 0 354.410 2.620 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@@H]2NCCc3ccccc32)n1 ZINC000423415028 514135244 /nfs/dbraw/zinc/13/52/44/514135244.db2.gz DDFBFZZFPWSOAA-OKZBNKHCSA-N 1 0 355.442 2.752 20 5 FFBDRO CC[N@H+](CCNC(=O)c1cc([N+](=O)[O-])ccc1OC)CCC(F)(F)F ZINC000427209331 514151687 /nfs/dbraw/zinc/15/16/87/514151687.db2.gz BGVWJCIUZZHHTC-UHFFFAOYSA-N 1 0 363.336 2.608 20 5 FFBDRO O=C1[C@@H](N2CC[C@H](C[NH+]3CCCCC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000444205624 514153773 /nfs/dbraw/zinc/15/37/73/514153773.db2.gz NBOYXFXEKKBDQT-APWZRJJASA-N 1 0 372.469 2.508 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC(=O)N[C@H]1CCOc2ccccc21 ZINC000449305980 514155604 /nfs/dbraw/zinc/15/56/04/514155604.db2.gz JBECIFXDKQIJDN-PBHICJAKSA-N 1 0 369.421 2.755 20 5 FFBDRO C[C@@H]1CN(c2ccnc3c2cccc3[N+](=O)[O-])CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000432329419 514162282 /nfs/dbraw/zinc/16/22/82/514162282.db2.gz PKWUHMNGNVGIBU-WBVHZDCISA-N 1 0 369.469 2.605 20 5 FFBDRO CCc1n[nH]c(C(=O)N[C@@H]2CCCC[C@H]2C[NH+](CC)CC)c1[N+](=O)[O-] ZINC000444270336 514173647 /nfs/dbraw/zinc/17/36/47/514173647.db2.gz OPESSQIAVHZTEM-GXTWGEPZSA-N 1 0 351.451 2.511 20 5 FFBDRO C[C@@H]1CCN(c2c(C(N)=O)cccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000420604078 514197170 /nfs/dbraw/zinc/19/71/70/514197170.db2.gz QZJOZZLUKOXTQG-OAHLLOKOSA-N 1 0 368.437 2.795 20 5 FFBDRO CC(C)[N@@H+]1CC[C@@H](N(C)CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000452112072 514198150 /nfs/dbraw/zinc/19/81/50/514198150.db2.gz FAURMWXSDMZMBH-CYBMUJFWSA-N 1 0 354.838 2.601 20 5 FFBDRO CC[C@@H]1CN(c2c(C(N)=O)cccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000420612917 514200063 /nfs/dbraw/zinc/20/00/63/514200063.db2.gz QHDTXTZWMSTRBI-MRXNPFEDSA-N 1 0 368.437 2.795 20 5 FFBDRO Cc1ccc([C@@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c2ccccc2)cc1 ZINC000437647253 514202794 /nfs/dbraw/zinc/20/27/94/514202794.db2.gz RHBOJPVNKVFLQE-UXHICEINSA-N 1 0 366.421 2.840 20 5 FFBDRO CC[C@H]1[C@@H](CO)CC[N@@H+]1Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000449421970 514204142 /nfs/dbraw/zinc/20/41/42/514204142.db2.gz MFJQCTHGMDQNNE-PWSUYJOCSA-N 1 0 360.357 2.798 20 5 FFBDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000423734470 514214374 /nfs/dbraw/zinc/21/43/74/514214374.db2.gz CYURQMMPYMWEBC-NEPJUHHUSA-N 1 0 353.397 2.678 20 5 FFBDRO O=C(NCCCCC[NH+]1CCCC1)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000452144337 514217298 /nfs/dbraw/zinc/21/72/98/514217298.db2.gz DDKPOFWLWYQJAM-UHFFFAOYSA-N 1 0 371.441 2.776 20 5 FFBDRO COc1ccc(CNC(=O)N[C@H](CCC[NH3+])c2ccccc2)cc1[N+](=O)[O-] ZINC000417196937 514223465 /nfs/dbraw/zinc/22/34/65/514223465.db2.gz PTYGPKNXEXYLSY-MRXNPFEDSA-N 1 0 372.425 2.883 20 5 FFBDRO COc1ccc(OCC[NH+]2CCC(Oc3ccccn3)CC2)c([N+](=O)[O-])c1 ZINC000437879487 514259011 /nfs/dbraw/zinc/25/90/11/514259011.db2.gz BKOPFGLXZPSEJN-UHFFFAOYSA-N 1 0 373.409 2.921 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCO[C@H](c2ccnn2C)C1 ZINC000449582363 514263155 /nfs/dbraw/zinc/26/31/55/514263155.db2.gz FVXMNLUEXQHNTH-KDOFPFPSSA-N 1 0 360.414 2.737 20 5 FFBDRO CC[NH2+]Cc1cccc(NC(=O)C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000414736024 514264834 /nfs/dbraw/zinc/26/48/34/514264834.db2.gz MKAIDYPETQHMHP-CYBMUJFWSA-N 1 0 370.409 2.520 20 5 FFBDRO CCOc1cc(NC(=O)NC[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])cc1OCC ZINC000414753389 514274215 /nfs/dbraw/zinc/27/42/15/514274215.db2.gz DMQBPYNPUYZAJW-GFCCVEGCSA-N 1 0 366.418 2.513 20 5 FFBDRO CC1(C)CCC[N@H+](CCNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000444618151 514275781 /nfs/dbraw/zinc/27/57/81/514275781.db2.gz ITZHBKCCHLBQKY-UHFFFAOYSA-N 1 0 371.441 2.632 20 5 FFBDRO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000423938079 514296502 /nfs/dbraw/zinc/29/65/02/514296502.db2.gz HMDJLDDBOSZLED-PBHICJAKSA-N 1 0 358.442 2.773 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N(C)[C@@H](C[NH3+])C3CC3)cc2[N+](=O)[O-])CC1 ZINC000423954919 514306738 /nfs/dbraw/zinc/30/67/38/514306738.db2.gz SETQOTRAOKLYHK-SFHVURJKSA-N 1 0 360.458 2.640 20 5 FFBDRO CC(C)c1ccc(CN2CC[NH+]([C@@H]3CCNC(=O)CC3)CC2)cc1[N+](=O)[O-] ZINC000449700176 514311651 /nfs/dbraw/zinc/31/16/51/514311651.db2.gz PTMWOGSFLPIIIM-KRWDZBQOSA-N 1 0 374.485 2.505 20 5 FFBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000420831234 514326455 /nfs/dbraw/zinc/32/64/55/514326455.db2.gz YXEQNLISXNHKMM-AWEZNQCLSA-N 1 0 354.838 2.526 20 5 FFBDRO C[C@H]1CCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@H]1C[NH3+] ZINC000423998080 514329286 /nfs/dbraw/zinc/32/92/86/514329286.db2.gz AGRSONAQAUNDGV-WCQYABFASA-N 1 0 360.439 2.775 20 5 FFBDRO Cc1c(CC(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000424008516 514336520 /nfs/dbraw/zinc/33/65/20/514336520.db2.gz IFYXFRACKRHWKM-DLBZAZTESA-N 1 0 357.385 2.538 20 5 FFBDRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NCc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000414887596 514341840 /nfs/dbraw/zinc/34/18/40/514341840.db2.gz QTGLNCBBPLZNHP-HKUYNNGSSA-N 1 0 359.401 2.978 20 5 FFBDRO C[C@H]1CCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H]1C[NH3+] ZINC000424028717 514347612 /nfs/dbraw/zinc/34/76/12/514347612.db2.gz YYAUZGIZQQVIGO-AAEUAGOBSA-N 1 0 360.439 2.775 20 5 FFBDRO Cc1cc(N[C@@H]2CCCN(c3ccnn3C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000444878497 514358799 /nfs/dbraw/zinc/35/87/99/514358799.db2.gz SNCPZELNQCZOAZ-CQSZACIVSA-N 1 0 366.425 2.688 20 5 FFBDRO O=C(NCCC[C@@H]1CCC[NH2+]1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414941968 514366312 /nfs/dbraw/zinc/36/63/12/514366312.db2.gz DCZNDZSMPUDVGT-JTQLQIEISA-N 1 0 358.345 2.850 20 5 FFBDRO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414947011 514369474 /nfs/dbraw/zinc/36/94/74/514369474.db2.gz KGDKXXIPXQPRJE-PHIMTYICSA-N 1 0 370.356 2.660 20 5 FFBDRO O=[N+]([O-])c1ccc2[nH]c(N3CC[NH+](CCOc4ccccc4)CC3)nc2c1 ZINC000427997474 514369865 /nfs/dbraw/zinc/36/98/65/514369865.db2.gz SKGUKFQHJCNYQW-UHFFFAOYSA-N 1 0 367.409 2.672 20 5 FFBDRO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000414948977 514370824 /nfs/dbraw/zinc/37/08/24/514370824.db2.gz MZIFDDFRKJJLNL-OUAUKWLOSA-N 1 0 370.356 2.706 20 5 FFBDRO Cc1ccc([C@@H](C)Nc2ccc3c(c2)CN(CC(N)=O)CC3)cc1[N+](=O)[O-] ZINC000433075171 514371435 /nfs/dbraw/zinc/37/14/35/514371435.db2.gz JVSUUQZNARDETL-CQSZACIVSA-N 1 0 368.437 2.920 20 5 FFBDRO O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[nH][nH]1)[C@@H]1CCCN1C1CCCC1 ZINC000438557199 514402311 /nfs/dbraw/zinc/40/23/11/514402311.db2.gz JWWOVJYMBATNIT-KRWDZBQOSA-N 1 0 369.425 2.752 20 5 FFBDRO Cc1c(CC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000438904679 514464859 /nfs/dbraw/zinc/46/48/59/514464859.db2.gz VQUZOIZGPFPTEC-GOSISDBHSA-N 1 0 353.422 2.836 20 5 FFBDRO C[C@H](CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)[N@@H+]1CCCC[C@H]1C ZINC000445487275 514485659 /nfs/dbraw/zinc/48/56/59/514485659.db2.gz FAHIPHXKPPWZOB-HUUCEWRRSA-N 1 0 360.458 2.925 20 5 FFBDRO Cc1cc([C@@H](C)[NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cs1 ZINC000453079966 514538633 /nfs/dbraw/zinc/53/86/33/514538633.db2.gz HJBVTNAEQKBIKI-GFCCVEGCSA-N 1 0 369.468 2.594 20 5 FFBDRO C[NH+](C)CC[C@@H](NC(=O)NCCc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000466023918 514541748 /nfs/dbraw/zinc/54/17/48/514541748.db2.gz BFOXUSIBXLJLCN-MRXNPFEDSA-N 1 0 350.463 2.803 20 5 FFBDRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000470641677 514561955 /nfs/dbraw/zinc/56/19/55/514561955.db2.gz NFKYAWNPIRQWKS-UHFFFAOYSA-N 1 0 365.459 2.672 20 5 FFBDRO CCCN(CCC[NH+](C)C)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000470667029 514567632 /nfs/dbraw/zinc/56/76/32/514567632.db2.gz IVBVRZWBVJJPOI-UHFFFAOYSA-N 1 0 362.474 2.999 20 5 FFBDRO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000466222078 514581863 /nfs/dbraw/zinc/58/18/63/514581863.db2.gz GBOPXCMKXKDAAD-LSDHHAIUSA-N 1 0 352.822 2.674 20 5 FFBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]C(C)(C)COc1ccc(C(F)(F)F)cn1 ZINC000502285102 514605167 /nfs/dbraw/zinc/60/51/67/514605167.db2.gz COKRHKSOADPFOL-UHFFFAOYSA-N 1 0 373.335 2.689 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCCC[N@H+]2CCCC[C@@H]2C)cc1C ZINC000497734047 514614262 /nfs/dbraw/zinc/61/42/62/514614262.db2.gz LXZQHCMTPXFVRJ-HNNXBMFYSA-N 1 0 369.487 2.754 20 5 FFBDRO CC(C)n1ncc2cc(C[NH+]3CCC(n4ccc([N+](=O)[O-])n4)CC3)cnc21 ZINC000488965256 514652879 /nfs/dbraw/zinc/65/28/79/514652879.db2.gz CORVINWBYNBESW-UHFFFAOYSA-N 1 0 369.429 2.954 20 5 FFBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000461643668 514682154 /nfs/dbraw/zinc/68/21/54/514682154.db2.gz SNZJWGMPWUNRIC-AWEZNQCLSA-N 1 0 359.430 2.631 20 5 FFBDRO CCOc1cc(N2CC[NH+](C[C@H]3CCO[C@H](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000475513900 514697519 /nfs/dbraw/zinc/69/75/19/514697519.db2.gz VWGZLEIXQJSSRF-CVEARBPZSA-N 1 0 363.458 2.931 20 5 FFBDRO COc1cc(CN2C[C@@H](SC)[C@@H]([NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000484612425 514709145 /nfs/dbraw/zinc/70/91/45/514709145.db2.gz DMLACOMYXOKYHB-DOTOQJQBSA-N 1 0 351.472 2.615 20 5 FFBDRO COc1c[nH+]ccc1N1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000475619607 514736795 /nfs/dbraw/zinc/73/67/95/514736795.db2.gz DHVUDNKVQCXYDZ-GQCTYLIASA-N 1 0 354.410 2.834 20 5 FFBDRO COC(=O)COc1ccc(C[N@@H+]2CC[C@@H]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000475719513 514776132 /nfs/dbraw/zinc/77/61/32/514776132.db2.gz UPRODPOIZFZIGR-QGZVFWFLSA-N 1 0 370.405 2.964 20 5 FFBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000502809317 514786928 /nfs/dbraw/zinc/78/69/28/514786928.db2.gz CFAFJQZIVKEMDS-OAHLLOKOSA-N 1 0 364.446 2.667 20 5 FFBDRO Cc1c(CNC(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)cccc1[N+](=O)[O-] ZINC000480071680 514832771 /nfs/dbraw/zinc/83/27/71/514832771.db2.gz WOCQDLSBYBNESL-MRXNPFEDSA-N 1 0 360.458 2.777 20 5 FFBDRO CCC[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@H](C)CC(=O)Nc1ccccc1 ZINC000502917953 514842022 /nfs/dbraw/zinc/84/20/22/514842022.db2.gz GFOXASMKLNUHIZ-OAHLLOKOSA-N 1 0 359.430 2.921 20 5 FFBDRO COc1ccc(C[NH2+]Cc2ccccc2Cn2cncn2)cc1[N+](=O)[O-] ZINC000508734566 514877700 /nfs/dbraw/zinc/87/77/00/514877700.db2.gz RQLPFVZOLWFGCD-UHFFFAOYSA-N 1 0 353.382 2.533 20 5 FFBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000503194242 514951873 /nfs/dbraw/zinc/95/18/73/514951873.db2.gz WBNADXRVWHURFX-GOSISDBHSA-N 1 0 371.485 2.891 20 5 FFBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[C@H]1C ZINC000498568312 514977320 /nfs/dbraw/zinc/97/73/20/514977320.db2.gz AXRLZSSZVMWODX-GHMZBOCLSA-N 1 0 370.247 2.912 20 5 FFBDRO Cc1ccccc1C[C@@H](CO)[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000467378990 514990042 /nfs/dbraw/zinc/99/00/42/514990042.db2.gz VLLRNPCSEFKAAI-YJBOKZPZSA-N 1 0 371.437 2.814 20 5 FFBDRO O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000485363682 515010773 /nfs/dbraw/zinc/01/07/73/515010773.db2.gz QJARGUOMZZANGV-UHFFFAOYSA-N 1 0 370.409 2.976 20 5 FFBDRO CCOC(=O)[C@@]1(COC)CCCN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000467547090 515042555 /nfs/dbraw/zinc/04/25/55/515042555.db2.gz FFSIEZQUOIRCMK-KRWDZBQOSA-N 1 0 354.378 2.526 20 5 FFBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000489977139 515055408 /nfs/dbraw/zinc/05/54/08/515055408.db2.gz DQZLDRMLMUXANS-RYUDHWBXSA-N 1 0 368.231 2.714 20 5 FFBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2CCC[C@H]2OC(F)F)c([N+](=O)[O-])c1 ZINC000503525677 515071473 /nfs/dbraw/zinc/07/14/73/515071473.db2.gz JDSAGZHJZYGBOF-MRCXROJRSA-N 1 0 373.356 2.680 20 5 FFBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCC[NH+](C(C)C)C(C)C ZINC000467786351 515118635 /nfs/dbraw/zinc/11/86/35/515118635.db2.gz WZVXETBMDNIWRT-UHFFFAOYSA-N 1 0 357.476 2.690 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)c1C ZINC000480946224 515147584 /nfs/dbraw/zinc/14/75/84/515147584.db2.gz ANGOXYKWHRQZRB-TZMCWYRMSA-N 1 0 369.487 2.610 20 5 FFBDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000472171703 515156060 /nfs/dbraw/zinc/15/60/60/515156060.db2.gz LMPAGTNVBMYNMK-OAHLLOKOSA-N 1 0 374.441 2.649 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(C)CC[NH+](C(C)C)C(C)C ZINC000503999124 515192194 /nfs/dbraw/zinc/19/21/94/515192194.db2.gz IXMLCHOHKLEJOF-UHFFFAOYSA-N 1 0 357.476 2.643 20 5 FFBDRO CC(C)[NH+](CCN(C)S(=O)(=O)CCc1ccccc1[N+](=O)[O-])C(C)C ZINC000503999840 515194452 /nfs/dbraw/zinc/19/44/52/515194452.db2.gz LYYVXJWQRUYWEQ-UHFFFAOYSA-N 1 0 371.503 2.518 20 5 FFBDRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000499250133 515255972 /nfs/dbraw/zinc/25/59/72/515255972.db2.gz MZUBAAFODIXCRZ-UHFFFAOYSA-N 1 0 350.806 2.780 20 5 FFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]Cc1c2c(nn1C)CCCC2 ZINC000462817289 515256806 /nfs/dbraw/zinc/25/68/06/515256806.db2.gz NJIKBGPDXMNYBI-ZDUSSCGKSA-N 1 0 371.441 2.714 20 5 FFBDRO CCCC[NH+]1CCC(NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000486249694 515399969 /nfs/dbraw/zinc/39/99/69/515399969.db2.gz ATOSPSYELUVFHY-UHFFFAOYSA-N 1 0 355.385 2.796 20 5 FFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)CCS(C)(=O)=O ZINC000504900186 515405027 /nfs/dbraw/zinc/40/50/27/515405027.db2.gz STRFHICRCOSIQX-QWHCGFSZSA-N 1 0 360.501 2.878 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000491890201 515480186 /nfs/dbraw/zinc/48/01/86/515480186.db2.gz KGMNWBWRNGPQBP-OAUYIBNBSA-N 1 0 353.850 2.932 20 5 FFBDRO CN1CC[N@H+](C)C[C@@H]1CN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000492178019 515510892 /nfs/dbraw/zinc/51/08/92/515510892.db2.gz JFGXHTIJMDDQAM-PMACEKPBSA-N 1 0 354.454 2.520 20 5 FFBDRO CC[C@H](C)[NH2+][C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccco1 ZINC000510363011 515516382 /nfs/dbraw/zinc/51/63/82/515516382.db2.gz JWPZDOOHQRRIEJ-QWRGUYRKSA-N 1 0 373.456 2.657 20 5 FFBDRO COc1cccc([C@H]2[C@H](NC(=O)c3cc([N+](=O)[O-])c[nH]3)CC[N@@H+]2C2CC2)c1 ZINC000481941349 515522343 /nfs/dbraw/zinc/52/23/43/515522343.db2.gz HPVRDGKCELLSKB-AEFFLSMTSA-N 1 0 370.409 2.639 20 5 FFBDRO Cc1cc(N2CC[C@H](N3CCCC3=O)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000477800484 515596308 /nfs/dbraw/zinc/59/63/08/515596308.db2.gz OWXPSANFJQCVCH-INIZCTEOSA-N 1 0 367.409 2.561 20 5 FFBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000500121233 515598342 /nfs/dbraw/zinc/59/83/42/515598342.db2.gz KVPOXMUTUFQLGJ-UONOGXRCSA-N 1 0 371.441 2.550 20 5 FFBDRO CC(C)(C[NH+]1CCCC1)NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000457051836 515609351 /nfs/dbraw/zinc/60/93/51/515609351.db2.gz AMKNGBMIYCQQNZ-UHFFFAOYSA-N 1 0 357.414 2.589 20 5 FFBDRO CN(C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000463841097 515637390 /nfs/dbraw/zinc/63/73/90/515637390.db2.gz LTCQDOSVYGUEBW-GFCCVEGCSA-N 1 0 357.332 2.922 20 5 FFBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C1 ZINC000457090282 515641420 /nfs/dbraw/zinc/64/14/20/515641420.db2.gz LXPWSOODHUSGTN-HNNXBMFYSA-N 1 0 357.414 2.540 20 5 FFBDRO COc1cccc(C[N@H+](CCn2ccc([N+](=O)[O-])n2)C2CCC(O)CC2)c1 ZINC000478031314 515674661 /nfs/dbraw/zinc/67/46/61/515674661.db2.gz GKEOPWJGJUOOAK-UHFFFAOYSA-N 1 0 374.441 2.606 20 5 FFBDRO COc1cc(C[NH+]2CC(CCO)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000459599397 515684034 /nfs/dbraw/zinc/68/40/34/515684034.db2.gz YLLYICWZSNXUMS-UHFFFAOYSA-N 1 0 372.421 2.997 20 5 FFBDRO C[NH+](C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]1)c1cccc(C(F)(F)F)c1 ZINC000469141130 515688810 /nfs/dbraw/zinc/68/88/10/515688810.db2.gz XPAMDVDKUFNWRO-AWEZNQCLSA-N 1 0 370.331 2.974 20 5 FFBDRO Cc1ccc(C)c(S(=O)(=O)NCCC[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000478171679 515725360 /nfs/dbraw/zinc/72/53/60/515725360.db2.gz IOMHPQFVHKKRND-UHFFFAOYSA-N 1 0 369.487 2.612 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)NC(C)(C)C[NH+](C)C)cc2[N+](=O)[O-])C1 ZINC000457223693 515735866 /nfs/dbraw/zinc/73/58/66/515735866.db2.gz PXTBEQRJAKRBIX-CQSZACIVSA-N 1 0 362.474 2.901 20 5 FFBDRO CC[NH+]1CCN(CCCNc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000478242616 515749883 /nfs/dbraw/zinc/74/98/83/515749883.db2.gz YIEAHYYVCOGNHF-UHFFFAOYSA-N 1 0 371.279 2.797 20 5 FFBDRO O=C(NCCC[NH+]1CCCC1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494181737 515756524 /nfs/dbraw/zinc/75/65/24/515756524.db2.gz DYGFVNAIJUJPLW-UHFFFAOYSA-N 1 0 374.363 2.899 20 5 FFBDRO Cc1cccc(N2CC[NH+](CCCNc3ccc([N+](=O)[O-])nc3)CC2)c1 ZINC000506052782 515764580 /nfs/dbraw/zinc/76/45/80/515764580.db2.gz YXNBRLKLKZINNJ-UHFFFAOYSA-N 1 0 355.442 2.922 20 5 FFBDRO Cc1cc(C(=O)N2CC[C@H](c3ccc(F)cc3)[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000457359153 515826670 /nfs/dbraw/zinc/82/66/70/515826670.db2.gz CERKLYDFGGGGDG-IAGOWNOFSA-N 1 0 357.385 2.999 20 5 FFBDRO CNc1c(C(=O)NCc2ccc(CC[NH+](C)C)cc2)cccc1[N+](=O)[O-] ZINC000469481880 515834747 /nfs/dbraw/zinc/83/47/47/515834747.db2.gz MXQXPJKFCUBDDD-UHFFFAOYSA-N 1 0 356.426 2.671 20 5 FFBDRO C[N@@H+]1C[C@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000478533687 515861539 /nfs/dbraw/zinc/86/15/39/515861539.db2.gz GKIMNYZCISDFSD-AEFFLSMTSA-N 1 0 368.437 2.611 20 5 FFBDRO CC(C)C[C@H](CNC(=O)c1cc([N+](=O)[O-])nn1C)[NH2+][C@H](C)c1ccccc1 ZINC000483043485 515899582 /nfs/dbraw/zinc/89/95/82/515899582.db2.gz AQEAJTHZKGYHJQ-GDBMZVCRSA-N 1 0 373.457 2.824 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+]CCc2ccccc2F)cc1[N+](=O)[O-] ZINC000474351897 516006295 /nfs/dbraw/zinc/00/62/95/516006295.db2.gz SDHIRGGXFUQKRC-UHFFFAOYSA-N 1 0 362.357 2.618 20 5 FFBDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000487895197 516021957 /nfs/dbraw/zinc/02/19/57/516021957.db2.gz JWBUKVQBBQJDQX-GJZGRUSLSA-N 1 0 368.865 2.963 20 5 FFBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000487925642 516034663 /nfs/dbraw/zinc/03/46/63/516034663.db2.gz WVQYQZZDGFOOKU-ABAIWWIYSA-N 1 0 366.849 2.573 20 5 FFBDRO COCC[N@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@H]1CCC[C@@H]1C ZINC000487992113 516067517 /nfs/dbraw/zinc/06/75/17/516067517.db2.gz XBICEWLWNKIBTM-BBRMVZONSA-N 1 0 365.430 2.679 20 5 FFBDRO COCC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@H]1CCC[C@H]1C ZINC000487998522 516073087 /nfs/dbraw/zinc/07/30/87/516073087.db2.gz IGARPZFQQOKSCD-CJNGLKHVSA-N 1 0 365.430 2.679 20 5 FFBDRO CNC(=O)C[C@@H]([NH2+]CCCOc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000483414790 516077362 /nfs/dbraw/zinc/07/73/62/516077362.db2.gz IHIRWLSMNHDXNY-GOSISDBHSA-N 1 0 357.410 2.831 20 5 FFBDRO O=[N+]([O-])c1cnc2ccccc2c1NCC1([NH+]2CCCC2)CCOCC1 ZINC000488077417 516107371 /nfs/dbraw/zinc/10/73/71/516107371.db2.gz FZYUTHNAGOZMDH-UHFFFAOYSA-N 1 0 356.426 2.622 20 5 FFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCC(=O)OC(C)(C)C ZINC000495386879 516154689 /nfs/dbraw/zinc/15/46/89/516154689.db2.gz ZVXNFLRICLPBJH-GFCCVEGCSA-N 1 0 351.403 2.633 20 5 FFBDRO CNC(=O)c1ccc(N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000474786228 516194788 /nfs/dbraw/zinc/19/47/88/516194788.db2.gz QNJHPJAKTRQTAR-QGZVFWFLSA-N 1 0 368.437 2.665 20 5 FFBDRO CC[NH+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(C)C)CC1 ZINC000460633313 516207461 /nfs/dbraw/zinc/20/74/61/516207461.db2.gz YGQDKPRYMBAXMI-UHFFFAOYSA-N 1 0 358.446 2.651 20 5 FFBDRO C[C@H]1CCC[C@@](CNC(=O)NCCc2ccccc2[N+](=O)[O-])([NH+](C)C)C1 ZINC000465703431 516233161 /nfs/dbraw/zinc/23/31/61/516233161.db2.gz ZDQAEYSEWQJAOT-HNAYVOBHSA-N 1 0 362.474 2.947 20 5 FFBDRO CCCC[C@@H]([NH3+])C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000496221920 516245571 /nfs/dbraw/zinc/24/55/71/516245571.db2.gz LDAPKNSYFWSUCL-LLVKDONJSA-N 1 0 362.352 2.659 20 5 FFBDRO COC(=O)c1cc(N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)cc(C)c1[N+](=O)[O-] ZINC000488748782 516299986 /nfs/dbraw/zinc/29/99/86/516299986.db2.gz HORQCXVJBQHLFO-GDZNZVCISA-N 1 0 361.442 2.856 20 5 FFBDRO C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000497428004 516322047 /nfs/dbraw/zinc/32/20/47/516322047.db2.gz HRUCCMQVDSJMKU-ZWKOTPCHSA-N 1 0 371.462 2.901 20 5 FFBDRO Cc1cc(OCC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000561015894 516339503 /nfs/dbraw/zinc/33/95/03/516339503.db2.gz OTVSPINKXJYZFI-KRWDZBQOSA-N 1 0 369.421 2.673 20 5 FFBDRO COC(=O)c1cc(C)nc(N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000557639667 516354077 /nfs/dbraw/zinc/35/40/77/516354077.db2.gz SBFBJSLDKKPBOG-JKSUJKDBSA-N 1 0 370.409 2.942 20 5 FFBDRO C[C@@H]1CCC[C@](CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)([NH+](C)C)C1 ZINC000517546310 516357249 /nfs/dbraw/zinc/35/72/49/516357249.db2.gz PDATVMUONSMOJW-BEFAXECRSA-N 1 0 362.474 2.947 20 5 FFBDRO COc1ccc(-c2ccc(C[NH2+][C@@H](C)Cn3cncn3)o2)c([N+](=O)[O-])c1 ZINC000517550049 516359167 /nfs/dbraw/zinc/35/91/67/516359167.db2.gz OXMATGORWBWMSO-LBPRGKRZSA-N 1 0 357.370 2.633 20 5 FFBDRO C[C@H]([NH2+][C@@H]1CCN(C)[C@@H]1c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000550678859 516379422 /nfs/dbraw/zinc/37/94/22/516379422.db2.gz WPNORCQKDHCOHC-GDIGMMSISA-N 1 0 368.437 2.957 20 5 FFBDRO C[NH+](C)[C@@H](CNC(=O)c1c(N)cccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000543712342 516383572 /nfs/dbraw/zinc/38/35/72/516383572.db2.gz GEBXSJLACZIFPG-HNNXBMFYSA-N 1 0 362.817 2.863 20 5 FFBDRO C[N@@H+]1CCN(c2ncnc3sc([N+](=O)[O-])cc32)C[C@@H]1Cc1ccccc1 ZINC000557741357 516413830 /nfs/dbraw/zinc/41/38/30/516413830.db2.gz DLRZQEBZCBRDFN-AWEZNQCLSA-N 1 0 369.450 2.963 20 5 FFBDRO C[NH+](C)[C@]1(CNc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CCSC1 ZINC000535593754 516414556 /nfs/dbraw/zinc/41/45/56/516414556.db2.gz XRKDCFBNPTZPGS-SFHVURJKSA-N 1 0 358.467 2.928 20 5 FFBDRO O=C(NC1CC[NH+](CC2CC2)CC1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000543800511 516435365 /nfs/dbraw/zinc/43/53/65/516435365.db2.gz KQHWQWOJSZSBCQ-UHFFFAOYSA-N 1 0 369.368 2.800 20 5 FFBDRO Cc1cc(C)cc(OC[C@@H](O)C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000517925367 516493996 /nfs/dbraw/zinc/49/39/96/516493996.db2.gz HIJVMLIHPFCEOD-KRWDZBQOSA-N 1 0 360.410 2.620 20 5 FFBDRO CCOc1ccc(C(=O)N2CC([N@H+](C)Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000561274196 516494934 /nfs/dbraw/zinc/49/49/34/516494934.db2.gz AQROCJGRRSAAAL-UHFFFAOYSA-N 1 0 369.421 2.950 20 5 FFBDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531629015 516562114 /nfs/dbraw/zinc/56/21/14/516562114.db2.gz JSLUGQABWVWFPW-KRWDZBQOSA-N 1 0 369.425 2.512 20 5 FFBDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531629016 516564273 /nfs/dbraw/zinc/56/42/73/516564273.db2.gz JSLUGQABWVWFPW-QGZVFWFLSA-N 1 0 369.425 2.512 20 5 FFBDRO COc1cc(CC[NH2+]C[C@H](O)CC2CCCC2)c([N+](=O)[O-])cc1OC ZINC000561425776 516577030 /nfs/dbraw/zinc/57/70/30/516577030.db2.gz WMSRBYLLHSCSCW-OAHLLOKOSA-N 1 0 352.431 2.685 20 5 FFBDRO Cc1ccc2nc(C[N@H+](C)CCc3cccc([N+](=O)[O-])c3)cc(=O)n2c1 ZINC000554846182 516661910 /nfs/dbraw/zinc/66/19/10/516661910.db2.gz MKWPYYYMNYHSLE-UHFFFAOYSA-N 1 0 352.394 2.586 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)c1 ZINC000540687079 516670355 /nfs/dbraw/zinc/67/03/55/516670355.db2.gz FIXBAPGCCAHOKN-QGZVFWFLSA-N 1 0 363.458 2.909 20 5 FFBDRO COCC[N@@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000536391302 516748151 /nfs/dbraw/zinc/74/81/51/516748151.db2.gz UHPNZZPYZMGKNQ-MRXNPFEDSA-N 1 0 356.426 2.601 20 5 FFBDRO C[N@@H+]1CC[C@@H](NC(=O)NCCc2ccccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000548094766 516758900 /nfs/dbraw/zinc/75/89/00/516758900.db2.gz OJWUUYCITFPYDK-IEBWSBKVSA-N 1 0 368.437 2.882 20 5 FFBDRO CS(=O)(=O)[C@H]1CCCC[C@@H]1[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000561782533 516771039 /nfs/dbraw/zinc/77/10/39/516771039.db2.gz NTOSQIOTRGVFSR-IRXDYDNUSA-N 1 0 365.455 2.564 20 5 FFBDRO Cc1cc(C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)cc([N+](=O)[O-])c1 ZINC000524641430 516776684 /nfs/dbraw/zinc/77/66/84/516776684.db2.gz LEZFMLCRHCQEGP-UHFFFAOYSA-N 1 0 353.422 2.732 20 5 FFBDRO CC(C)[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)[NH+]1CCC(C)CC1 ZINC000518801949 516779287 /nfs/dbraw/zinc/77/92/87/516779287.db2.gz OALCXAUDMVFASQ-MRXNPFEDSA-N 1 0 366.437 2.802 20 5 FFBDRO C[C@H]1CCC[C@](CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)([NH+](C)C)C1 ZINC000518810959 516784627 /nfs/dbraw/zinc/78/46/27/516784627.db2.gz IRZJEPYJEUGTHS-SGTLLEGYSA-N 1 0 359.430 2.711 20 5 FFBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000555110837 516786350 /nfs/dbraw/zinc/78/63/50/516786350.db2.gz VIMILLWGYXXHNY-CQSZACIVSA-N 1 0 359.430 2.631 20 5 FFBDRO C[C@H](NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)C(C)(C)C[NH+](C)C ZINC000541034632 516840765 /nfs/dbraw/zinc/84/07/65/516840765.db2.gz JCVSLCODHIQVGX-JTQLQIEISA-N 1 0 359.373 2.902 20 5 FFBDRO CC(C)[C@H]1CN(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)CC[N@@H+]1C ZINC000558642079 516853888 /nfs/dbraw/zinc/85/38/88/516853888.db2.gz SJXDYIABSJLJTI-GOSISDBHSA-N 1 0 373.457 2.600 20 5 FFBDRO Cn1ccnc1[C@H](N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000514098396 516861372 /nfs/dbraw/zinc/86/13/72/516861372.db2.gz GOWHRWNYJABYSY-JFIYKMOQSA-N 1 0 355.442 2.634 20 5 FFBDRO C[C@@H](CCC(C)(C)C)[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000551789772 516870436 /nfs/dbraw/zinc/87/04/36/516870436.db2.gz SRSNMSUBAFBULD-ZDUSSCGKSA-N 1 0 357.476 2.678 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NCCN2CCc3ccccc3C2)c1 ZINC000558762869 516933209 /nfs/dbraw/zinc/93/32/09/516933209.db2.gz ZKZXMBVCQVGLMY-UHFFFAOYSA-N 1 0 369.421 2.782 20 5 FFBDRO CC[C@H](C[C@@H](C)CC)[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000536827551 516947485 /nfs/dbraw/zinc/94/74/85/516947485.db2.gz PEILCDGNFXJAIL-UONOGXRCSA-N 1 0 357.476 2.678 20 5 FFBDRO COCCOC[C@@H](C)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000525194861 516954741 /nfs/dbraw/zinc/95/47/41/516954741.db2.gz HAHWUIUPADJKDM-GFCCVEGCSA-N 1 0 351.428 2.859 20 5 FFBDRO CCN(C(=O)c1cc([N+](=O)[O-])cn1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000544848589 516958644 /nfs/dbraw/zinc/95/86/44/516958644.db2.gz FQSGKRAFWBTGOH-MRXNPFEDSA-N 1 0 356.426 2.670 20 5 FFBDRO C[NH+](C)Cc1ccc(CNC(=O)NCCc2ccccc2[N+](=O)[O-])cc1F ZINC000548421444 516973241 /nfs/dbraw/zinc/97/32/41/516973241.db2.gz XTNCFZZWYYWCPH-UHFFFAOYSA-N 1 0 374.416 2.837 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C[C@H]1C ZINC000525397445 517029741 /nfs/dbraw/zinc/02/97/41/517029741.db2.gz PFNBQKNMEGYWTK-CHWSQXEVSA-N 1 0 372.425 2.793 20 5 FFBDRO CC[NH+]1C[C@@H](C)N(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)[C@H](C)C1 ZINC000514755591 517039874 /nfs/dbraw/zinc/03/98/74/517039874.db2.gz WJARRPYTVWNYDP-HZPDHXFCSA-N 1 0 374.485 2.752 20 5 FFBDRO C[C@@H](NC(=O)[C@H]1CN(Cc2ccccc2)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000525454599 517046369 /nfs/dbraw/zinc/04/63/69/517046369.db2.gz JREOXJYWGZABQM-DNVCBOLYSA-N 1 0 369.421 2.673 20 5 FFBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000525554725 517074566 /nfs/dbraw/zinc/07/45/66/517074566.db2.gz PEUUTBNRAOYPTK-BLLLJJGKSA-N 1 0 362.455 2.808 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000548615127 517089025 /nfs/dbraw/zinc/08/90/25/517089025.db2.gz JVVAJCIRUDVFST-INIZCTEOSA-N 1 0 355.442 2.921 20 5 FFBDRO COC[C@@](C)(CC(=O)OC)[NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000559144862 517097866 /nfs/dbraw/zinc/09/78/66/517097866.db2.gz XVMIRROCSTUJFJ-CQSZACIVSA-N 1 0 364.320 2.671 20 5 FFBDRO Cc1c(C(=O)Nc2cccc(C[N@@H+]3CC[C@H](O)C3)c2)cccc1[N+](=O)[O-] ZINC000552198734 517134683 /nfs/dbraw/zinc/13/46/83/517134683.db2.gz DRKDVVWUBQJDKG-INIZCTEOSA-N 1 0 355.394 2.722 20 5 FFBDRO Cc1ccc(NCCCNC(=O)c2ccc3c[nH+]cn3c2)c([N+](=O)[O-])c1 ZINC000555888019 517167586 /nfs/dbraw/zinc/16/75/86/517167586.db2.gz NWJMSSIQJKMCRC-UHFFFAOYSA-N 1 0 353.382 2.783 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCC[C@H](C3CC3)C2)cc1 ZINC000541737683 517193022 /nfs/dbraw/zinc/19/30/22/517193022.db2.gz ALTZPXIZOVHWFK-LSDHHAIUSA-N 1 0 352.456 2.927 20 5 FFBDRO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000537503820 517210975 /nfs/dbraw/zinc/21/09/75/517210975.db2.gz RAXSBWZCBWMOFI-QGZVFWFLSA-N 1 0 369.487 2.529 20 5 FFBDRO C[C@@H](C[N@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1ccccc1 ZINC000532942555 517215144 /nfs/dbraw/zinc/21/51/44/517215144.db2.gz LPRBHUWQNXUSML-ZDUSSCGKSA-N 1 0 371.393 2.998 20 5 FFBDRO COc1ccc(NC(=O)NCc2ccc(C[NH+](C)C)cc2)cc1[N+](=O)[O-] ZINC000542035078 517349618 /nfs/dbraw/zinc/34/96/18/517349618.db2.gz SFJKMFCLCHUNFF-UHFFFAOYSA-N 1 0 358.398 2.987 20 5 FFBDRO CN(C)C(=O)C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000552913628 517441069 /nfs/dbraw/zinc/44/10/69/517441069.db2.gz OTVGODSUUAROKH-GOSISDBHSA-N 1 0 357.410 2.783 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC000533447571 517468383 /nfs/dbraw/zinc/46/83/83/517468383.db2.gz JQMWOFNZELFBSN-JSGCOSHPSA-N 1 0 368.865 2.991 20 5 FFBDRO COc1ccc2c(c1)CCC[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C2 ZINC000542279880 517482325 /nfs/dbraw/zinc/48/23/25/517482325.db2.gz QDAYJDITHJLBBI-KRWDZBQOSA-N 1 0 372.421 2.792 20 5 FFBDRO CCCN(CC[NH+]1CCCCC1)C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000553157105 517547372 /nfs/dbraw/zinc/54/73/72/517547372.db2.gz OQXYKZMSNIKSOW-UHFFFAOYSA-N 1 0 363.414 2.662 20 5 FFBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cnc(N2CCOCC2)s1 ZINC000549411110 517551387 /nfs/dbraw/zinc/55/13/87/517551387.db2.gz WEZUMALKJOLGLD-UHFFFAOYSA-N 1 0 362.455 2.562 20 5 FFBDRO CCOc1cc(C[NH2+][C@@H]2CCC[C@H]3CN(C(C)=O)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000516111699 517570609 /nfs/dbraw/zinc/57/06/09/517570609.db2.gz BEKFQEQYCCWEGV-YESZJQIVSA-N 1 0 361.442 2.730 20 5 FFBDRO COc1cccc2c1C[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000563001281 517571839 /nfs/dbraw/zinc/57/18/39/517571839.db2.gz RXKQRZCFNAJOME-AWEZNQCLSA-N 1 0 355.394 2.689 20 5 FFBDRO C[C@@H](CNC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1)C[NH+](C)C ZINC000553231262 517589803 /nfs/dbraw/zinc/58/98/03/517589803.db2.gz AXRNOPMHJBHFNX-HNNXBMFYSA-N 1 0 362.474 2.759 20 5 FFBDRO CN(C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1C[NH+]2CCC1CC2 ZINC000521157161 517630740 /nfs/dbraw/zinc/63/07/40/517630740.db2.gz NFAUMAZHRNJTHP-MRXNPFEDSA-N 1 0 372.450 2.885 20 5 FFBDRO C[N@@H+]1CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)C[C@H]1Cc1ccccc1 ZINC000553343489 517655338 /nfs/dbraw/zinc/65/53/38/517655338.db2.gz ROVSHSOWGQWSBX-MRXNPFEDSA-N 1 0 352.438 2.926 20 5 FFBDRO Cc1ncc([N+](=O)[O-])cc1-c1nc(-c2ccccc2OCC[NH+](C)C)no1 ZINC000546403804 517666871 /nfs/dbraw/zinc/66/68/71/517666871.db2.gz BCSRNHTWVVISFO-UHFFFAOYSA-N 1 0 369.381 2.956 20 5 FFBDRO CCN(CC[NH+]1CCCCCC1)c1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000553363681 517669852 /nfs/dbraw/zinc/66/98/52/517669852.db2.gz MBJJURPZKBMFSK-UHFFFAOYSA-N 1 0 359.430 2.946 20 5 FFBDRO C[NH+](C)[C@@H](CNC(=O)NCCc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000533926434 517673377 /nfs/dbraw/zinc/67/33/77/517673377.db2.gz OGCWPKWBECXXBI-SFHVURJKSA-N 1 0 362.474 2.947 20 5 FFBDRO COCCNC(=O)[C@H](CC(C)C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000538591480 517681906 /nfs/dbraw/zinc/68/19/06/517681906.db2.gz XDSGTNUUZRDWPT-YOEHRIQHSA-N 1 0 351.447 2.731 20 5 FFBDRO CCOCC(C)(C)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000549815760 517724779 /nfs/dbraw/zinc/72/47/79/517724779.db2.gz TZOFTDNDHMDJOH-UHFFFAOYSA-N 1 0 374.235 2.701 20 5 FFBDRO COC(=O)c1cc(C)nc(NC2CCC(C[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000553511295 517754300 /nfs/dbraw/zinc/75/43/00/517754300.db2.gz SVLPNSUBGDEDLY-UHFFFAOYSA-N 1 0 350.419 2.617 20 5 FFBDRO CN(C)C1(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCCCCC1 ZINC000560393181 517763434 /nfs/dbraw/zinc/76/34/34/517763434.db2.gz PISXOQPNMDVCDZ-QGZVFWFLSA-N 1 0 365.474 2.579 20 5 FFBDRO COc1cc(C[NH2+]C[C@@]2(O)CCC[C@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000556958064 517774764 /nfs/dbraw/zinc/77/47/64/517774764.db2.gz CAGVBDKRAXSXJI-DIFFPNOSSA-N 1 0 374.384 2.888 20 5 FFBDRO COc1ccccc1[C@@H](CO)[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000542912802 517810367 /nfs/dbraw/zinc/81/03/67/517810367.db2.gz UUOJVZCMGIEXMK-QGZVFWFLSA-N 1 0 373.409 2.564 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)c1 ZINC000553812829 517917981 /nfs/dbraw/zinc/91/79/81/517917981.db2.gz AKTOAQGFNKMENA-HOTGVXAUSA-N 1 0 363.458 2.909 20 5 FFBDRO C[C@@H]1CC(C)(C)C[C@](CO)([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000543139651 517929125 /nfs/dbraw/zinc/92/91/25/517929125.db2.gz VMKNYTHPUAKHQF-SPYBWZPUSA-N 1 0 366.458 2.501 20 5 FFBDRO C[C@@H]1CN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000553867777 517942726 /nfs/dbraw/zinc/94/27/26/517942726.db2.gz XBJUPRZPEYIFQP-HNNXBMFYSA-N 1 0 360.458 2.730 20 5 FFBDRO COCCSc1ccc([C@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000539306385 517985353 /nfs/dbraw/zinc/98/53/53/517985353.db2.gz WSFSNQBYTUAUQZ-ZDUSSCGKSA-N 1 0 350.444 2.881 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1C[C@@H](OCC)[C@H]1n1cccn1 ZINC000550325290 517995040 /nfs/dbraw/zinc/99/50/40/517995040.db2.gz RYDJYKGWHAVLEG-NXHRZFHOSA-N 1 0 360.414 2.698 20 5 FFBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCCCS1(=O)=O ZINC000543429524 518084420 /nfs/dbraw/zinc/08/44/20/518084420.db2.gz MJEWKVIAQYAGGK-UAGQMJEPSA-N 1 0 366.483 2.863 20 5 FFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@H]2CCCS(=O)(=O)C2)o1 ZINC000539515536 518085821 /nfs/dbraw/zinc/08/58/21/518085821.db2.gz JMZAKJBEWHSZFV-LBPRGKRZSA-N 1 0 350.396 2.522 20 5 FFBDRO CCC[NH+]1CCC(CNC(=O)CCOc2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000539518036 518085857 /nfs/dbraw/zinc/08/58/57/518085857.db2.gz ZYPLWISXWNNYFS-UHFFFAOYSA-N 1 0 363.458 2.910 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000522386956 518093829 /nfs/dbraw/zinc/09/38/29/518093829.db2.gz QKRGINYGRBIKTN-CHWSQXEVSA-N 1 0 369.849 2.816 20 5 FFBDRO CCCC[C@@H](C)[C@@H](C)[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000517427708 518146031 /nfs/dbraw/zinc/14/60/31/518146031.db2.gz DCYPUJMRTWYSRE-ZIAGYGMSSA-N 1 0 357.476 2.678 20 5 FFBDRO COc1ccc(OCC[N@@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000566884671 518246348 /nfs/dbraw/zinc/24/63/48/518246348.db2.gz QNOLNTSZRCZQRF-DLBZAZTESA-N 1 0 350.415 2.872 20 5 FFBDRO Cc1cccc(C)c1OCC[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000566968222 518290652 /nfs/dbraw/zinc/29/06/52/518290652.db2.gz JFYKTTGBZMHNRV-MRXNPFEDSA-N 1 0 360.410 2.620 20 5 FFBDRO CCC[C@@H]1C[NH2+]CCN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000564083627 518298812 /nfs/dbraw/zinc/29/88/12/518298812.db2.gz NTXUJRFTROHPMP-LLVKDONJSA-N 1 0 356.220 2.571 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])cc1SC ZINC000581543006 518337277 /nfs/dbraw/zinc/33/72/77/518337277.db2.gz YLEGJTRVAGRGLM-ZYHUDNBSSA-N 1 0 353.444 2.667 20 5 FFBDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@@H](C)C1 ZINC000584547548 518393585 /nfs/dbraw/zinc/39/35/85/518393585.db2.gz HGLQJOMBIQMINR-PRXAMGSTSA-N 1 0 367.396 2.604 20 5 FFBDRO COc1cccc([C@H]2C[C@H]([NH2+]C[C@H](O)COc3ccccc3[N+](=O)[O-])C2)c1 ZINC000581662425 518396630 /nfs/dbraw/zinc/39/66/30/518396630.db2.gz JPEYDMMTUGEBGV-ULQDDVLXSA-N 1 0 372.421 2.879 20 5 FFBDRO O=C(c1cc([N+](=O)[O-])c[nH]1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000584562100 518397835 /nfs/dbraw/zinc/39/78/35/518397835.db2.gz RKNSBGCRMIRDJD-CVEARBPZSA-N 1 0 354.410 2.517 20 5 FFBDRO CC(C)[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1(CO)CCC1 ZINC000570062612 518424666 /nfs/dbraw/zinc/42/46/66/518424666.db2.gz QLGGCIADKDICIF-MRXNPFEDSA-N 1 0 369.849 2.964 20 5 FFBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000567252596 518432607 /nfs/dbraw/zinc/43/26/07/518432607.db2.gz JQPWNGITUYXWJI-CQSZACIVSA-N 1 0 359.348 2.622 20 5 FFBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000584774982 518471339 /nfs/dbraw/zinc/47/13/39/518471339.db2.gz XVUCVPTWSJUJMC-WMZOPIPTSA-N 1 0 370.453 2.746 20 5 FFBDRO C[N@@H+]1CCO[C@H]2CCN(c3ccc([N+](=O)[O-])c(-c4ccc(F)cc4)n3)C[C@H]21 ZINC000585781920 518595381 /nfs/dbraw/zinc/59/53/81/518595381.db2.gz CXXAPYLQXGSABT-SJORKVTESA-N 1 0 372.400 2.705 20 5 FFBDRO C[N@@H+]1CC[C@@H]2OCCN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)[C@@H]2C1 ZINC000585783658 518596116 /nfs/dbraw/zinc/59/61/16/518596116.db2.gz ZLUVLQCGSKGCCF-SJORKVTESA-N 1 0 354.410 2.566 20 5 FFBDRO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000579419902 518669106 /nfs/dbraw/zinc/66/91/06/518669106.db2.gz WPRSTNTUHCPZLQ-KRWDZBQOSA-N 1 0 374.441 2.516 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NCCc2cn3ccccc3n2)c1 ZINC000573462103 518677350 /nfs/dbraw/zinc/67/73/50/518677350.db2.gz UJBOGPVXUSDYCG-UHFFFAOYSA-N 1 0 354.366 2.614 20 5 FFBDRO CC(C)Oc1nc(NC[C@@H](c2cccs2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000579613966 518766333 /nfs/dbraw/zinc/76/63/33/518766333.db2.gz KQJVOIHMLVOAPU-ZDUSSCGKSA-N 1 0 350.444 2.975 20 5 FFBDRO CCC[N@H+](CC)C[C@@H](C)NS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000570888239 518826156 /nfs/dbraw/zinc/82/61/56/518826156.db2.gz FKJJSBVEUZHZOE-CQSZACIVSA-N 1 0 357.476 2.610 20 5 FFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000568010484 518830281 /nfs/dbraw/zinc/83/02/81/518830281.db2.gz IBDHIOYRNLBWRX-LJQANCHMSA-N 1 0 354.410 2.693 20 5 FFBDRO COc1cc(C[NH2+][C@H]2CO[C@@H](C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000579836803 518879938 /nfs/dbraw/zinc/87/99/38/518879938.db2.gz VNGRNUMOYPNTMO-GXSJLCMTSA-N 1 0 364.320 2.812 20 5 FFBDRO O=[N+]([O-])c1cc(Br)ccc1N[C@H](CO)C[NH+]1CCCCC1 ZINC000589101230 518915350 /nfs/dbraw/zinc/91/53/50/518915350.db2.gz IUMMNUSZJZLTIQ-LBPRGKRZSA-N 1 0 358.236 2.616 20 5 FFBDRO CC[NH+](CC)[C@@H](CNc1nc(C(=O)OC)ccc1[N+](=O)[O-])c1ccco1 ZINC000582803072 518929673 /nfs/dbraw/zinc/92/96/73/518929673.db2.gz SNDCQRXTGFHMMJ-AWEZNQCLSA-N 1 0 362.386 2.864 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@H]2CC[C@@H](c3ccccc3)O2)c1 ZINC000565416970 518945384 /nfs/dbraw/zinc/94/53/84/518945384.db2.gz LJYYUUSIPPGCFF-SXLOBPIMSA-N 1 0 372.421 2.844 20 5 FFBDRO Cc1csc([C@H](C)C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000571159389 518955152 /nfs/dbraw/zinc/95/51/52/518955152.db2.gz JORLQGJWHCZOMJ-LLVKDONJSA-N 1 0 369.468 2.527 20 5 FFBDRO CCCN(CC[NH+]1CCCC1)C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000565497341 518984936 /nfs/dbraw/zinc/98/49/36/518984936.db2.gz ODSBNJMISDNTBL-UHFFFAOYSA-N 1 0 358.442 2.884 20 5 FFBDRO CCc1ccc([C@H](CNC(=O)Cn2cc([N+](=O)[O-])cn2)[NH+](CC)CC)cc1 ZINC000580109965 519012173 /nfs/dbraw/zinc/01/21/73/519012173.db2.gz CSBKCMNFSMVQOE-SFHVURJKSA-N 1 0 373.457 2.553 20 5 FFBDRO CSC1(CNC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)CC[NH+](C)CC1 ZINC000589476624 519013514 /nfs/dbraw/zinc/01/35/14/519013514.db2.gz IMQOACFYLAVAHU-GFCCVEGCSA-N 1 0 369.462 2.781 20 5 FFBDRO [NH3+]CCN(Cc1ccnn1-c1ccc(F)cc1)c1ccccc1[N+](=O)[O-] ZINC000580128521 519018395 /nfs/dbraw/zinc/01/83/95/519018395.db2.gz KUBCXGNLFMHLMR-UHFFFAOYSA-N 1 0 355.373 2.885 20 5 FFBDRO C[C@@H](C(=O)Nc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1)c1cccc([N+](=O)[O-])c1 ZINC000577338970 519028496 /nfs/dbraw/zinc/02/84/96/519028496.db2.gz FKVNDYPICYXYEN-AUUYWEPGSA-N 1 0 369.421 2.904 20 5 FFBDRO C[C@@H](Cc1c(Cl)cccc1Cl)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000583020284 519038104 /nfs/dbraw/zinc/03/81/04/519038104.db2.gz SOMNBSDHJQKLOV-CMPLNLGQSA-N 1 0 373.240 2.680 20 5 FFBDRO O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000589634569 519048852 /nfs/dbraw/zinc/04/88/52/519048852.db2.gz HBZHWONMHYAJBG-CABCVRRESA-N 1 0 371.441 2.545 20 5 FFBDRO C[NH+](C)C[C@H]1CCCCN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000568472660 519053201 /nfs/dbraw/zinc/05/32/01/519053201.db2.gz QZVYNCBSLIZBGI-OAHLLOKOSA-N 1 0 357.414 2.541 20 5 FFBDRO CC[N@H+](CCNc1ccc([N+](=O)[O-])c(N2CCOCC2)c1F)C(C)C ZINC000583094316 519073791 /nfs/dbraw/zinc/07/37/91/519073791.db2.gz LXVZJAXJXLVFGO-UHFFFAOYSA-N 1 0 354.426 2.713 20 5 FFBDRO CSc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])cn2)[NH+](C)C)cc1 ZINC000580239180 519075052 /nfs/dbraw/zinc/07/50/52/519075052.db2.gz ACBBJYVVDNSWHG-MRXNPFEDSA-N 1 0 360.439 2.744 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CCSc3ccc(Cl)cc32)c1 ZINC000580277023 519091916 /nfs/dbraw/zinc/09/19/16/519091916.db2.gz NIPNCDPJKPLNGE-TZMCWYRMSA-N 1 0 368.846 2.632 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H]2CCSc3ccc(Cl)cc32)c1 ZINC000580277021 519092440 /nfs/dbraw/zinc/09/24/40/519092440.db2.gz NIPNCDPJKPLNGE-JSGCOSHPSA-N 1 0 368.846 2.632 20 5 FFBDRO C[NH2+][C@@H]1CCN([C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C1 ZINC000568631003 519138769 /nfs/dbraw/zinc/13/87/69/519138769.db2.gz YIOKFTCPWHUWNJ-APWZRJJASA-N 1 0 368.437 2.877 20 5 FFBDRO C[C@@H](C(=O)NCc1cccc(OCC[NH+](C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000574506068 519187903 /nfs/dbraw/zinc/18/79/03/519187903.db2.gz SKKFPRPAJUWJSC-OAHLLOKOSA-N 1 0 371.437 2.955 20 5 FFBDRO CSCc1cccc(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000574513611 519191175 /nfs/dbraw/zinc/19/11/75/519191175.db2.gz ZDGLNVHWBQSKFK-MRXNPFEDSA-N 1 0 362.451 2.987 20 5 FFBDRO C[NH+]1CCC2(CCN(C(=O)c3ccc([N+](=O)[O-])c4cccnc34)C2)CC1 ZINC000590375731 519209395 /nfs/dbraw/zinc/20/93/95/519209395.db2.gz JBOCVGLZZCDCRD-UHFFFAOYSA-N 1 0 354.410 2.701 20 5 FFBDRO COc1cccc(C[C@H](C)[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000577722656 519222603 /nfs/dbraw/zinc/22/26/03/519222603.db2.gz VYZUVPUAXWFMFU-HOCLYGCPSA-N 1 0 360.410 2.564 20 5 FFBDRO CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CC[C@@](C)(O)C2)cc1OC ZINC000571792808 519277355 /nfs/dbraw/zinc/27/73/55/519277355.db2.gz PIBGUAVLKWOFLM-FZKQIMNGSA-N 1 0 352.431 2.985 20 5 FFBDRO CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CC[C@](C)(O)C2)cc1OC ZINC000571792813 519277850 /nfs/dbraw/zinc/27/78/50/519277850.db2.gz PIBGUAVLKWOFLM-UGSOOPFHSA-N 1 0 352.431 2.985 20 5 FFBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3ccc(Br)cc3[N+](=O)[O-])C[C@@H]21 ZINC000566099763 519299177 /nfs/dbraw/zinc/29/91/77/519299177.db2.gz VFRQQIUELPVBCD-TVYUQYBPSA-N 1 0 368.231 2.557 20 5 FFBDRO CSCC1CCC([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000566120404 519314260 /nfs/dbraw/zinc/31/42/60/519314260.db2.gz PPRPGGPAYTWESI-YMAMQOFZSA-N 1 0 354.472 2.846 20 5 FFBDRO CSCC1CCC([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000566120403 519314520 /nfs/dbraw/zinc/31/45/20/519314520.db2.gz PPRPGGPAYTWESI-NRXISQOPSA-N 1 0 354.472 2.846 20 5 FFBDRO CN(CC(=O)N[C@H](C[NH+](C)C)c1ccc(F)cc1)c1ccccc1[N+](=O)[O-] ZINC000571912218 519343921 /nfs/dbraw/zinc/34/39/21/519343921.db2.gz HMQOGIPGZJWLID-MRXNPFEDSA-N 1 0 374.416 2.589 20 5 FFBDRO CC1CC[NH+](CCc2cccc(NC(=O)c3c[nH]nc3[N+](=O)[O-])c2)CC1 ZINC000578085219 519410978 /nfs/dbraw/zinc/41/09/78/519410978.db2.gz POOOOAIXGBBSIZ-UHFFFAOYSA-N 1 0 357.414 2.845 20 5 FFBDRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C1CC1 ZINC000569229158 519444409 /nfs/dbraw/zinc/44/44/09/519444409.db2.gz AKMXVIKVNSOWFT-GUYCJALGSA-N 1 0 368.441 2.861 20 5 FFBDRO CCC[NH+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C2CC2)CC1 ZINC000566383231 519465208 /nfs/dbraw/zinc/46/52/08/519465208.db2.gz BXAFXSUGNUCBKO-UHFFFAOYSA-N 1 0 356.430 2.720 20 5 FFBDRO CCS[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000575116900 519510068 /nfs/dbraw/zinc/51/00/68/519510068.db2.gz RRUHBEXFMPYNSL-YSVLISHTSA-N 1 0 354.472 2.988 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC[C@H]([NH+]3CCOCC3)CC2)cc1OC(F)F ZINC000569378679 519520820 /nfs/dbraw/zinc/52/08/20/519520820.db2.gz YNMBAXRJEZQTJV-ZDUSSCGKSA-N 1 0 371.384 2.887 20 5 FFBDRO CC[N@@H+]1CCC[C@H](CNC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000569401099 519529474 /nfs/dbraw/zinc/52/94/74/519529474.db2.gz OMKLYKMKELZUJF-CQSZACIVSA-N 1 0 373.457 2.650 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000591270346 519567411 /nfs/dbraw/zinc/56/74/11/519567411.db2.gz XNUXIZPRWMKEEV-UONOGXRCSA-N 1 0 362.430 2.847 20 5 FFBDRO O=[N+]([O-])c1cccc(CC[NH2+]C[C@H](O)COCc2ccc(Cl)cc2)c1 ZINC000572393524 519593545 /nfs/dbraw/zinc/59/35/45/519593545.db2.gz NPCYKTHHWNHGBN-SFHVURJKSA-N 1 0 364.829 2.958 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@H]1CCOc2c(F)cccc21 ZINC000566674401 519605722 /nfs/dbraw/zinc/60/57/22/519605722.db2.gz NHIZCPIZKGLMGW-WFASDCNBSA-N 1 0 362.357 2.587 20 5 FFBDRO CCc1cc(N2CC[C@@H]3CC[NH2+][C@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000591439614 519624738 /nfs/dbraw/zinc/62/47/38/519624738.db2.gz XGUDYQBPIIUZHJ-GUYCJALGSA-N 1 0 353.426 2.802 20 5 FFBDRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000594417588 519954842 /nfs/dbraw/zinc/95/48/42/519954842.db2.gz CCRYPJQOOHITKG-CRAIPNDOSA-N 1 0 369.425 2.732 20 5 FFBDRO Cn1ccnc1[C@@H](N[C@@H]1CC[NH2+]C2(CCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000591582653 519958718 /nfs/dbraw/zinc/95/87/18/519958718.db2.gz RSVXBLFLDZWXGF-WBVHZDCISA-N 1 0 355.442 2.682 20 5 FFBDRO Cc1ccc(C)c(S(=O)(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000594484098 519992913 /nfs/dbraw/zinc/99/29/13/519992913.db2.gz SAJZTWDXWISUML-LSDHHAIUSA-N 1 0 367.471 2.507 20 5 FFBDRO Cn1c(CC[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)nc2ccccc21 ZINC000602963045 519995093 /nfs/dbraw/zinc/99/50/93/519995093.db2.gz SDPMYYGOSVCCCA-LJQANCHMSA-N 1 0 354.410 2.521 20 5 FFBDRO COc1ccccc1[C@@H]([NH3+])CNC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000591680726 519996346 /nfs/dbraw/zinc/99/63/46/519996346.db2.gz BTYYDPXVLHVPHO-HNNXBMFYSA-N 1 0 357.410 2.958 20 5 FFBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000600007436 519997976 /nfs/dbraw/zinc/99/79/76/519997976.db2.gz RBFYGKJGQCKDSZ-UHFFFAOYSA-N 1 0 373.409 2.668 20 5 FFBDRO C[C@@]1(c2ccccc2)C[C@@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000591744338 520018801 /nfs/dbraw/zinc/01/88/01/520018801.db2.gz VAHSUEVNNBPHDM-ROUUACIJSA-N 1 0 360.435 2.688 20 5 FFBDRO CC(C)OC1CCC([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000591757082 520024886 /nfs/dbraw/zinc/02/48/86/520024886.db2.gz XPNRRVLGWLMYMI-WIHSUSGWSA-N 1 0 352.431 2.660 20 5 FFBDRO C[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@H](c1ccccc1)N(C)C ZINC000591761297 520026056 /nfs/dbraw/zinc/02/60/56/520026056.db2.gz HKZCLWLZRVQZQO-QKYXUNIQSA-N 1 0 373.453 2.616 20 5 FFBDRO O=C(CC[NH2+][C@H]1CCc2cc(O)ccc2C1)Nc1ccccc1[N+](=O)[O-] ZINC000591763566 520027971 /nfs/dbraw/zinc/02/79/71/520027971.db2.gz GTMOJBZGAAJKMS-HNNXBMFYSA-N 1 0 355.394 2.776 20 5 FFBDRO COC(=O)[C@]1(OC)CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000600193898 520115012 /nfs/dbraw/zinc/11/50/12/520115012.db2.gz YLABPQZLOFHXAB-SFHVURJKSA-N 1 0 360.366 2.619 20 5 FFBDRO CC[C@H]1C[N@H+](C)CCCN1C(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000597606072 520132119 /nfs/dbraw/zinc/13/21/19/520132119.db2.gz UGJOWSRXPGSRPW-JSGCOSHPSA-N 1 0 369.849 2.958 20 5 FFBDRO CC[NH+](CC)Cc1ccccc1CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000608811362 520134870 /nfs/dbraw/zinc/13/48/70/520134870.db2.gz NDHFPZFXOKPDSE-UHFFFAOYSA-N 1 0 373.457 2.685 20 5 FFBDRO O=C1[C@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000608837049 520140687 /nfs/dbraw/zinc/14/06/87/520140687.db2.gz MQJAPQWXWPWAFN-OEPRFQHASA-N 1 0 351.406 2.999 20 5 FFBDRO CCNc1ccc(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)cc1[N+](=O)[O-] ZINC000608901208 520157434 /nfs/dbraw/zinc/15/74/34/520157434.db2.gz VJVJPFJNZVEPBI-UHFFFAOYSA-N 1 0 352.354 2.860 20 5 FFBDRO Cc1n[nH]c(C(=O)N2CC[N@H+](Cc3ccccc3)[C@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000600252754 520159557 /nfs/dbraw/zinc/15/95/57/520159557.db2.gz NEIXDABCEIJAIG-INIZCTEOSA-N 1 0 371.441 2.609 20 5 FFBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(Cn2cc([C@@H]3CCC[NH2+]C3)nn2)c1 ZINC000603230516 520168983 /nfs/dbraw/zinc/16/89/83/520168983.db2.gz ATPRTVYNJHDBJF-SNVBAGLBSA-N 1 0 355.320 2.720 20 5 FFBDRO Cc1nn(C)c(C(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)c1[N+](=O)[O-] ZINC000609017602 520178636 /nfs/dbraw/zinc/17/86/36/520178636.db2.gz DVZPBTDFYXVTMN-INIZCTEOSA-N 1 0 371.441 2.594 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000594854664 520190026 /nfs/dbraw/zinc/19/00/26/520190026.db2.gz VEACCJWGDYKADT-CQSZACIVSA-N 1 0 367.471 2.589 20 5 FFBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CC(C[NH+](C)C)C3)cc2[N+](=O)[O-])C1 ZINC000597709575 520190213 /nfs/dbraw/zinc/19/02/13/520190213.db2.gz YHCHOLRRBLSIDV-HUUCEWRRSA-N 1 0 374.485 2.711 20 5 FFBDRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000597714283 520193718 /nfs/dbraw/zinc/19/37/18/520193718.db2.gz HZDKMWJJVXRDRV-QGZVFWFLSA-N 1 0 351.834 2.735 20 5 FFBDRO C[N@@H+]1CCCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000600315927 520201252 /nfs/dbraw/zinc/20/12/52/520201252.db2.gz XHNZJBUASGVIKZ-LLVKDONJSA-N 1 0 370.247 2.819 20 5 FFBDRO O=C(NCc1ccccc1)[C@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000592153437 520228075 /nfs/dbraw/zinc/22/80/75/520228075.db2.gz ARNIILOSPHYCJQ-KRWDZBQOSA-N 1 0 369.421 2.612 20 5 FFBDRO Cn1cc(CN[C@H]2CC[N@@H+](C(C)(C)C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000594956285 520228900 /nfs/dbraw/zinc/22/89/00/520228900.db2.gz IYIQBQXPMGVLPC-INIZCTEOSA-N 1 0 357.458 2.958 20 5 FFBDRO CCO[C@@H]1C[C@@H]([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1SC ZINC000592166681 520241886 /nfs/dbraw/zinc/24/18/86/520241886.db2.gz IAVUBNSYQFKOHM-NFAWXSAZSA-N 1 0 373.862 2.685 20 5 FFBDRO CC(C)[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1(CO)CC=CC1 ZINC000592177380 520248026 /nfs/dbraw/zinc/24/80/26/520248026.db2.gz HFONIHILFIIBJS-SFHVURJKSA-N 1 0 361.442 2.866 20 5 FFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCC[C@@H]([S@](C)=O)C1 ZINC000595059611 520273572 /nfs/dbraw/zinc/27/35/72/520273572.db2.gz FRMKOPHRZDIPSQ-KKJFCJBYSA-N 1 0 367.471 2.591 20 5 FFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCC1(CS(C)(=O)=O)CC1 ZINC000595061125 520273859 /nfs/dbraw/zinc/27/38/59/520273859.db2.gz PIPODDZNMBHXDC-AWEZNQCLSA-N 1 0 354.472 2.720 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](CO)[C@H]1CCC[C@H](OC)C1 ZINC000595061408 520274141 /nfs/dbraw/zinc/27/41/41/520274141.db2.gz KTWDIADVLYUMQW-GZIXRCOHSA-N 1 0 352.431 2.820 20 5 FFBDRO CCOc1ccc([C@@H](C)[NH2+]CCC2(CS(C)(=O)=O)CC2)cc1[N+](=O)[O-] ZINC000595063053 520274579 /nfs/dbraw/zinc/27/45/79/520274579.db2.gz ZYJQTPSYISRLIR-CYBMUJFWSA-N 1 0 370.471 2.859 20 5 FFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000600470115 520279884 /nfs/dbraw/zinc/27/98/84/520279884.db2.gz FWDZYYFLWVVQFO-OAHLLOKOSA-N 1 0 351.834 2.924 20 5 FFBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000600473179 520281393 /nfs/dbraw/zinc/28/13/93/520281393.db2.gz SQBXKZJYFYGHMD-INIZCTEOSA-N 1 0 356.426 2.752 20 5 FFBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592256286 520294002 /nfs/dbraw/zinc/29/40/02/520294002.db2.gz XADPZTVNIPNRBJ-HZPDHXFCSA-N 1 0 360.458 2.635 20 5 FFBDRO O=C1N(CC[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C[C@@H]2CCCCN12 ZINC000595102114 520294940 /nfs/dbraw/zinc/29/49/40/520294940.db2.gz JUAWXRAKGVASRS-FUHWJXTLSA-N 1 0 358.442 2.852 20 5 FFBDRO O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000595221303 520356396 /nfs/dbraw/zinc/35/63/96/520356396.db2.gz OJAPCSXRKNYOSH-OAHLLOKOSA-N 1 0 356.426 2.928 20 5 FFBDRO CCOc1ccc(C(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000595226635 520360567 /nfs/dbraw/zinc/36/05/67/520360567.db2.gz XJIPNZMKKLZWNN-HOTGVXAUSA-N 1 0 361.442 2.988 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N3CC[C@@H](C)[C@@H]([NH3+])C3)cc2[N+](=O)[O-])C1 ZINC000595228700 520361917 /nfs/dbraw/zinc/36/19/17/520361917.db2.gz HAMCHUOXNJBIQX-FMKPAKJESA-N 1 0 360.458 2.640 20 5 FFBDRO CCO[C@@H]1C[C@@H]([NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)[C@@H]1SC ZINC000592393493 520365119 /nfs/dbraw/zinc/36/51/19/520365119.db2.gz BPWNLRLTPFTVJM-QKDZRIPBSA-N 1 0 354.476 2.774 20 5 FFBDRO C[C@H](Nc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000609620348 520383095 /nfs/dbraw/zinc/38/30/95/520383095.db2.gz YWPBESQKJORQBQ-ZDUSSCGKSA-N 1 0 371.441 2.702 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(C(N)=O)(c2ccccc2)CC1 ZINC000609672388 520401644 /nfs/dbraw/zinc/40/16/44/520401644.db2.gz GUNCNQFJQBQXKS-UHFFFAOYSA-N 1 0 369.421 2.623 20 5 FFBDRO NC(=O)C1(c2ccccc2)CC[NH+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595320021 520406620 /nfs/dbraw/zinc/40/66/20/520406620.db2.gz FCTVYTBBIASYCG-UHFFFAOYSA-N 1 0 357.385 2.753 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000617353048 520449110 /nfs/dbraw/zinc/44/91/10/520449110.db2.gz MYHLSYZSOBWGQL-QGZVFWFLSA-N 1 0 369.421 2.950 20 5 FFBDRO CC(C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])[nH]1)[N@@H+]1CCc2ccccc2C1 ZINC000604096876 520449817 /nfs/dbraw/zinc/44/98/17/520449817.db2.gz DMPMKDYHDXHKNA-KRWDZBQOSA-N 1 0 356.426 2.736 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H](c1cccnc1)C(C)(C)CO ZINC000595502273 520512852 /nfs/dbraw/zinc/51/28/52/520512852.db2.gz XXTXPCIGXSLFDH-SFHVURJKSA-N 1 0 372.425 2.586 20 5 FFBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC(Cc3nc4ccccc4[nH]3)CC2)c1 ZINC000595551825 520546871 /nfs/dbraw/zinc/54/68/71/520546871.db2.gz LFMKZGMZOCMZLH-UHFFFAOYSA-N 1 0 354.414 2.622 20 5 FFBDRO CCC[N@@H+]1CC[C@H](NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000598341907 520564985 /nfs/dbraw/zinc/56/49/85/520564985.db2.gz IBHOSPCMAISJDK-LBPRGKRZSA-N 1 0 356.220 2.571 20 5 FFBDRO C[C@H]1C[C@@H](NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000610208560 520579674 /nfs/dbraw/zinc/57/96/74/520579674.db2.gz DQOOPSABZHCSHF-AAEUAGOBSA-N 1 0 355.822 2.616 20 5 FFBDRO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N[C@H]1CN(C)Cc2ccccc21 ZINC000601136225 520654737 /nfs/dbraw/zinc/65/47/37/520654737.db2.gz YPOKGANREVMGHG-NSHDSACASA-N 1 0 355.320 2.946 20 5 FFBDRO COc1ccc(OCC[N@@H+]2CCC[C@@H](c3ccnc(C)n3)C2)c([N+](=O)[O-])c1 ZINC000610368053 520655032 /nfs/dbraw/zinc/65/50/32/520655032.db2.gz OSJABBMKTSQISV-OAHLLOKOSA-N 1 0 372.425 2.960 20 5 FFBDRO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NCC1CC[NH+](CC2CC2)CC1 ZINC000598539006 520689749 /nfs/dbraw/zinc/68/97/49/520689749.db2.gz ALLWRDMZKFUPQG-UHFFFAOYSA-N 1 0 367.396 2.654 20 5 FFBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000610478441 520706680 /nfs/dbraw/zinc/70/66/80/520706680.db2.gz WSRNLGYDBBOAMJ-UHFFFAOYSA-N 1 0 352.354 2.540 20 5 FFBDRO CC[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)[C@H](CC)CO1 ZINC000593058089 520715743 /nfs/dbraw/zinc/71/57/43/520715743.db2.gz JAMFXVQJTJECKV-UKRRQHHQSA-N 1 0 365.430 2.821 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@H](n1cncn1)C(F)(F)F)CCC2 ZINC000601295036 520728245 /nfs/dbraw/zinc/72/82/45/520728245.db2.gz SKYFGYNIQLZPAC-KBPBESRZSA-N 1 0 355.320 2.957 20 5 FFBDRO COC(=O)c1ccnc(NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000598589994 520729974 /nfs/dbraw/zinc/72/99/74/520729974.db2.gz WMRJMEPPKHMYOM-YVEFUNNKSA-N 1 0 350.419 2.699 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H](C)OCC12CCC2 ZINC000593094228 520740462 /nfs/dbraw/zinc/74/04/62/520740462.db2.gz YCADOUBFLXYZIB-ZDUSSCGKSA-N 1 0 363.414 2.575 20 5 FFBDRO COC(=O)c1ccnc(N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000598614583 520743347 /nfs/dbraw/zinc/74/33/47/520743347.db2.gz LTOAOYBEIWCOPI-CJNGLKHVSA-N 1 0 370.409 2.709 20 5 FFBDRO COC(=O)c1ccnc(N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)c1[N+](=O)[O-] ZINC000598627703 520751364 /nfs/dbraw/zinc/75/13/64/520751364.db2.gz XQUMAXHIDPYDHV-CZUORRHYSA-N 1 0 370.409 2.851 20 5 FFBDRO CCCN(C)CC(C)(C)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000595872832 520782702 /nfs/dbraw/zinc/78/27/02/520782702.db2.gz HUWFRKMTQKUZQI-UHFFFAOYSA-N 1 0 350.463 2.942 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1c2ccccc2CC[C@@H]1C[NH3+] ZINC000595903502 520810172 /nfs/dbraw/zinc/81/01/72/520810172.db2.gz WJDSEDXSWQFTIM-OAHLLOKOSA-N 1 0 354.410 2.622 20 5 FFBDRO COc1cc(CN2C[C@H]3CCC[C@@]3([NH3+])C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000598722300 520810885 /nfs/dbraw/zinc/81/08/85/520810885.db2.gz YDXAFFOWOGUOJK-SJKOYZFVSA-N 1 0 371.384 2.561 20 5 FFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000595906309 520813236 /nfs/dbraw/zinc/81/32/36/520813236.db2.gz JHDONTGAPABTLQ-SFHVURJKSA-N 1 0 365.474 2.925 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000601497213 520813151 /nfs/dbraw/zinc/81/31/51/520813151.db2.gz QLYMZGRSPMPOSW-UHFFFAOYSA-N 1 0 367.471 2.542 20 5 FFBDRO C[C@@H]1[C@H](C)N(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)[C@@H](C)C[N@@H+]1C ZINC000593189113 520813866 /nfs/dbraw/zinc/81/38/66/520813866.db2.gz IKUCMWTYZNDHMR-AXFHLTTASA-N 1 0 357.357 2.749 20 5 FFBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000601551513 520836964 /nfs/dbraw/zinc/83/69/64/520836964.db2.gz IDBCYBQZKFWLKH-JSGCOSHPSA-N 1 0 367.833 2.618 20 5 FFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595962333 520839525 /nfs/dbraw/zinc/83/95/25/520839525.db2.gz PEZXQZDNBLEWCQ-OAHLLOKOSA-N 1 0 361.442 2.845 20 5 FFBDRO COc1cc(N2CCN(C[C@H]3CCCO3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596052678 520879723 /nfs/dbraw/zinc/87/97/23/520879723.db2.gz GXMQACIALSABJE-GFCCVEGCSA-N 1 0 355.822 2.558 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]Cc2cnccc2C(F)(F)F)c1 ZINC000596070898 520894307 /nfs/dbraw/zinc/89/43/07/520894307.db2.gz UXKYJUUAKQBMEC-ZDUSSCGKSA-N 1 0 371.315 2.538 20 5 FFBDRO C[C@H]1C[NH+](Cc2ccc(CNc3cc[nH]c(=O)c3[N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000596077740 520897500 /nfs/dbraw/zinc/89/75/00/520897500.db2.gz ATZYRZKUIJRMLI-KBPBESRZSA-N 1 0 372.425 2.917 20 5 FFBDRO COCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])c(C(=O)OC)c2Cl)CC1 ZINC000596089926 520906774 /nfs/dbraw/zinc/90/67/74/520906774.db2.gz MLQVNMAPQNOIFS-UHFFFAOYSA-N 1 0 371.821 2.558 20 5 FFBDRO CN1CCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)[C@H](c2ccccc2)C1 ZINC000610930367 520908101 /nfs/dbraw/zinc/90/81/01/520908101.db2.gz DQSUPMMCWJQOBH-SFHVURJKSA-N 1 0 369.421 2.855 20 5 FFBDRO C[N@@H+](Cc1ccccc1)CC1CCN(c2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000596106787 520916914 /nfs/dbraw/zinc/91/69/14/520916914.db2.gz VYZPSBYTYZCDSF-UHFFFAOYSA-N 1 0 355.442 2.920 20 5 FFBDRO CC(C)c1n[nH]c(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000610951109 520917568 /nfs/dbraw/zinc/91/75/68/520917568.db2.gz GZESEVVKGXVFRX-GXTWGEPZSA-N 1 0 361.446 2.530 20 5 FFBDRO O=C([C@@H]1CCC[N@@H+]1C1CCCC1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000610968321 520922598 /nfs/dbraw/zinc/92/25/98/520922598.db2.gz VQAFYFMCHKUJTI-IBGZPJMESA-N 1 0 372.469 2.650 20 5 FFBDRO COc1cc(N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596124311 520927721 /nfs/dbraw/zinc/92/77/21/520927721.db2.gz VHDOUZRMXUIRQV-GFCCVEGCSA-N 1 0 368.865 2.837 20 5 FFBDRO COC(=O)c1c(Cl)c(NCC[NH+]2CCC(OC)CC2)ccc1[N+](=O)[O-] ZINC000596158741 520943588 /nfs/dbraw/zinc/94/35/88/520943588.db2.gz IPDQZRWOPUQHEX-UHFFFAOYSA-N 1 0 371.821 2.558 20 5 FFBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2cccc(F)c2OCC(F)(F)F)c1 ZINC000598967662 520948540 /nfs/dbraw/zinc/94/85/40/520948540.db2.gz MDRJSMRQXRTOPJ-UHFFFAOYSA-N 1 0 362.283 2.661 20 5 FFBDRO Cc1cc(N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c([N+](=O)[O-])s1 ZINC000596175170 520952135 /nfs/dbraw/zinc/95/21/35/520952135.db2.gz QJXUUMVUFSLPFJ-YIONKMFJSA-N 1 0 350.488 2.712 20 5 FFBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2(OCCO)CCC(F)(F)CC2)c(F)c1 ZINC000598993333 520966269 /nfs/dbraw/zinc/96/62/69/520966269.db2.gz KQCTVSSMCDBYAA-UHFFFAOYSA-N 1 0 362.348 2.781 20 5 FFBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCOC[C@H]2O)ccc1Oc1ccc(F)cc1 ZINC000599012780 520979354 /nfs/dbraw/zinc/97/93/54/520979354.db2.gz WAANMSBPEZDRIR-NVXWUHKLSA-N 1 0 362.357 2.766 20 5 FFBDRO CC(C)C[NH2+]C1(CO)CCN(c2ccc([N+](=O)[O-])c3cccnc32)CC1 ZINC000596252496 520994505 /nfs/dbraw/zinc/99/45/05/520994505.db2.gz FJIXHXCRPVBIMP-UHFFFAOYSA-N 1 0 358.442 2.720 20 5 FFBDRO O=C([C@H]1CCCN(c2ccc3cnccc3c2[N+](=O)[O-])C1)N1CCCC1 ZINC000599043905 520996590 /nfs/dbraw/zinc/99/65/90/520996590.db2.gz OKGRMJPDYLMZON-HNNXBMFYSA-N 1 0 354.410 2.982 20 5 FFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CCN1C1CCCC1 ZINC000599072879 521015617 /nfs/dbraw/zinc/01/56/17/521015617.db2.gz BDTXCARKOZXVRH-KDOFPFPSSA-N 1 0 360.458 2.918 20 5 FFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1CCN1C1CCCC1 ZINC000599072935 521015672 /nfs/dbraw/zinc/01/56/72/521015672.db2.gz COPJPJUHKBHUCF-KSSFIOAISA-N 1 0 360.458 2.918 20 5 FFBDRO CN1C(=O)c2ccccc2[C@@H]1C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000599075055 521017333 /nfs/dbraw/zinc/01/73/33/521017333.db2.gz ROLHBGFIPBVTTK-BBWFWOEESA-N 1 0 369.425 2.692 20 5 FFBDRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1c(Br)cccc1[N+](=O)[O-] ZINC000599080994 521021256 /nfs/dbraw/zinc/02/12/56/521021256.db2.gz RNZFMPSWJROURB-NWDGAFQWSA-N 1 0 368.231 2.714 20 5 FFBDRO COCC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccc(C)cc1C ZINC000611185041 521028983 /nfs/dbraw/zinc/02/89/83/521028983.db2.gz QTZZYDQRFRSQFZ-UHFFFAOYSA-N 1 0 359.426 2.522 20 5 FFBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCOCC12CCCC2 ZINC000611194895 521031648 /nfs/dbraw/zinc/03/16/48/521031648.db2.gz MGNYKDKORVLFQC-UHFFFAOYSA-N 1 0 361.398 2.538 20 5 FFBDRO CC[N@H+](C[C@H]1CCOC1)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000611205371 521036857 /nfs/dbraw/zinc/03/68/57/521036857.db2.gz YHHNUCXOBQGPBK-VXGBXAGGSA-N 1 0 355.822 2.934 20 5 FFBDRO CC[NH+](CC)Cc1ccc(-c2nc(-c3c([N+](=O)[O-])nc(C)n3C)no2)o1 ZINC000618423886 521061447 /nfs/dbraw/zinc/06/14/47/521061447.db2.gz JWHINSGITLEGBX-UHFFFAOYSA-N 1 0 360.374 2.789 20 5 FFBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000618467813 521082049 /nfs/dbraw/zinc/08/20/49/521082049.db2.gz FJLLPQRCCGEPTO-AWEZNQCLSA-N 1 0 367.833 2.540 20 5 FFBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC000596462804 521085218 /nfs/dbraw/zinc/08/52/18/521085218.db2.gz TUQFJJSHJNXGDQ-QGZVFWFLSA-N 1 0 357.458 2.873 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCN2Cc3ccccc3C2)n1 ZINC000618567158 521127763 /nfs/dbraw/zinc/12/77/63/521127763.db2.gz ZCAKHCZQITWCOS-QZTJIDSGSA-N 1 0 355.442 2.880 20 5 FFBDRO COc1cc(C[N@H+](C)[C@@H](C)CCO)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000593694491 521162184 /nfs/dbraw/zinc/16/21/84/521162184.db2.gz NJKNAMHSPOLNFU-JTQLQIEISA-N 1 0 366.336 2.747 20 5 FFBDRO COC(=O)[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@H]1C1CC1 ZINC000593697998 521164672 /nfs/dbraw/zinc/16/46/72/521164672.db2.gz WPABIBCKPSRIMC-UONOGXRCSA-N 1 0 370.352 2.827 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000596625225 521173796 /nfs/dbraw/zinc/17/37/96/521173796.db2.gz QGELKAXDPFHDFI-CQSZACIVSA-N 1 0 362.430 2.847 20 5 FFBDRO CCc1ccc([C@H]([NH2+]CC[C@]2(O)CCOC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000593723210 521176751 /nfs/dbraw/zinc/17/67/51/521176751.db2.gz SMXWBEFVXAXILB-MOPGFXCFSA-N 1 0 360.410 2.971 20 5 FFBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000611512578 521193931 /nfs/dbraw/zinc/19/39/31/521193931.db2.gz HYBCRFQEDNDHCB-HNNXBMFYSA-N 1 0 366.849 2.574 20 5 FFBDRO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)C2 ZINC000593761819 521200338 /nfs/dbraw/zinc/20/03/38/521200338.db2.gz QQKNOZPBGBUMOU-QFYYESIMSA-N 1 0 370.356 2.789 20 5 FFBDRO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000611554931 521216776 /nfs/dbraw/zinc/21/67/76/521216776.db2.gz CJWKJWYKDQNEHI-BZPMIXESSA-N 1 0 362.348 2.997 20 5 FFBDRO C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000602241975 521232546 /nfs/dbraw/zinc/23/25/46/521232546.db2.gz NBSRWZFKQZEXBM-ZDUSSCGKSA-N 1 0 370.409 2.522 20 5 FFBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000611645121 521262653 /nfs/dbraw/zinc/26/26/53/521262653.db2.gz WSRWJQINCRSNST-GFCCVEGCSA-N 1 0 357.357 2.800 20 5 FFBDRO C[NH+](C)CCOc1cc(C(=O)N2CCCc3c([N+](=O)[O-])cccc32)ccn1 ZINC000602294695 521264176 /nfs/dbraw/zinc/26/41/76/521264176.db2.gz RSDNGAALAYPDFU-UHFFFAOYSA-N 1 0 370.409 2.523 20 5 FFBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@@H](c2ccc(F)c(F)c2)C1 ZINC000599516341 521273259 /nfs/dbraw/zinc/27/32/59/521273259.db2.gz REKWDILMESMYQJ-CQSZACIVSA-N 1 0 363.364 2.914 20 5 FFBDRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)C2)C1 ZINC000593913171 521287474 /nfs/dbraw/zinc/28/74/74/521287474.db2.gz RYJHIVJIFIXIJW-HSMVNMDESA-N 1 0 367.833 2.607 20 5 FFBDRO CC1CCN(c2ccc(C(=O)NCCC3CC[NH2+]CC3)cc2[N+](=O)[O-])CC1 ZINC000593918548 521290445 /nfs/dbraw/zinc/29/04/45/521290445.db2.gz FYLOJRLSLMNLFO-UHFFFAOYSA-N 1 0 374.485 2.951 20 5 FFBDRO C[C@H]1CCCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])[C@H]1CC[NH3+] ZINC000593933424 521299426 /nfs/dbraw/zinc/29/94/26/521299426.db2.gz AOCSLEDQLFJAPM-GWCFXTLKSA-N 1 0 370.247 2.947 20 5 FFBDRO C[C@H]1C[C@H](NC(=O)c2c(Br)cccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000599576167 521308940 /nfs/dbraw/zinc/30/89/40/521308940.db2.gz KFDHMAMJDJGIBN-VHSXEESVSA-N 1 0 356.220 2.570 20 5 FFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000602474184 521366525 /nfs/dbraw/zinc/36/65/25/521366525.db2.gz ITBGCFHEKCPFKH-CYBMUJFWSA-N 1 0 373.375 2.768 20 5 FFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1CN1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000602485285 521372507 /nfs/dbraw/zinc/37/25/07/521372507.db2.gz XIDREEGPSJAOMQ-CYBMUJFWSA-N 1 0 373.375 2.768 20 5 FFBDRO COC(=O)[C@@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)Cc2ccccc21 ZINC000599671021 521385194 /nfs/dbraw/zinc/38/51/94/521385194.db2.gz VYIFYFRTVJNRTM-GOSISDBHSA-N 1 0 356.378 2.746 20 5 FFBDRO C[C@@H](CN1CCC[C@H](C)C1)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602522098 521392324 /nfs/dbraw/zinc/39/23/24/521392324.db2.gz CULABGKXQJDTIO-HOTGVXAUSA-N 1 0 361.490 2.669 20 5 FFBDRO C[C@H](COCC(F)(F)F)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602531022 521397123 /nfs/dbraw/zinc/39/71/23/521397123.db2.gz BNHFQBQBVDBNOX-LLVKDONJSA-N 1 0 362.352 2.516 20 5 FFBDRO COC(=O)C1C[C@H](C)[NH+](CCOc2ccc(OC)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000599688714 521403047 /nfs/dbraw/zinc/40/30/47/521403047.db2.gz LSFYRHSTRQEFJR-STQMWFEESA-N 1 0 366.414 2.644 20 5 FFBDRO CC1CCN(c2ccc(C(=O)NC[C@H]3C[C@@H]([NH+](C)C)C3)cc2[N+](=O)[O-])CC1 ZINC000594105471 521405621 /nfs/dbraw/zinc/40/56/21/521405621.db2.gz GYHODSZGYVOLCR-WOVMCDHWSA-N 1 0 374.485 2.901 20 5 FFBDRO [NH3+][C@H]1CCCCCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000602580661 521421263 /nfs/dbraw/zinc/42/12/63/521421263.db2.gz YHVMIOIKYIKGDP-JTQLQIEISA-N 1 0 356.220 2.701 20 5 FFBDRO [NH3+][C@H]1CCCCCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000602580280 521421516 /nfs/dbraw/zinc/42/15/16/521421516.db2.gz XIXCPRUTJDCZAF-NSHDSACASA-N 1 0 356.220 2.701 20 5 FFBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000602579634 521421838 /nfs/dbraw/zinc/42/18/38/521421838.db2.gz CEJIBICMEIKPON-MRXNPFEDSA-N 1 0 373.409 2.572 20 5 FFBDRO C[N@@H+]1CC[C@H]2CCN(Cc3cc(Br)c([N+](=O)[O-])s3)[C@H]2C1 ZINC000602592399 521429807 /nfs/dbraw/zinc/42/98/07/521429807.db2.gz QWUKHRIZZNYFOB-CABZTGNLSA-N 1 0 360.277 2.945 20 5 FFBDRO CCOC(=O)C1(C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602618057 521439994 /nfs/dbraw/zinc/43/99/94/521439994.db2.gz FQSDCWQIXXYVDA-UHFFFAOYSA-N 1 0 363.233 2.852 20 5 FFBDRO CN(CC(=O)N1CC[C@H](C[NH3+])c2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000602622727 521441170 /nfs/dbraw/zinc/44/11/70/521441170.db2.gz LRYFCOLJHFBVJY-CQSZACIVSA-N 1 0 354.410 2.510 20 5 FFBDRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000594199246 521464861 /nfs/dbraw/zinc/46/48/61/521464861.db2.gz IHWVGXQXVXBBLG-WBVHZDCISA-N 1 0 358.442 2.916 20 5 FFBDRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000594198712 521465294 /nfs/dbraw/zinc/46/52/94/521465294.db2.gz VFPGQRSUYZPBKF-GDBMZVCRSA-N 1 0 369.425 2.527 20 5 FFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC000602664653 521468108 /nfs/dbraw/zinc/46/81/08/521468108.db2.gz HXMISFYBYBAJPH-JTQLQIEISA-N 1 0 366.361 2.528 20 5 FFBDRO CC(C)(CC[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])S(C)(=O)=O ZINC000602692268 521481209 /nfs/dbraw/zinc/48/12/09/521481209.db2.gz XHQZJGRINFCYCT-UHFFFAOYSA-N 1 0 368.377 2.917 20 5 FFBDRO C[C@H](CN1CCC(C)CC1)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602717571 521493685 /nfs/dbraw/zinc/49/36/85/521493685.db2.gz LUHJNMYTBXDJSB-MRXNPFEDSA-N 1 0 361.490 2.669 20 5 FFBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)C1 ZINC000597094324 521499993 /nfs/dbraw/zinc/49/99/93/521499993.db2.gz DIQQYYQFLLXKBZ-JTQLQIEISA-N 1 0 355.826 2.682 20 5 FFBDRO C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12)C1=CC[N@H+](C)CC1 ZINC000599832639 521500744 /nfs/dbraw/zinc/50/07/44/521500744.db2.gz GYBWFFLOKSAAQI-LBPRGKRZSA-N 1 0 355.398 2.915 20 5 FFBDRO CC(C)[C@@H]1CN(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)CC[N@@H+]1C ZINC000597095687 521501285 /nfs/dbraw/zinc/50/12/85/521501285.db2.gz FDRQDXGJYJHOKF-ZDUSSCGKSA-N 1 0 355.826 2.634 20 5 FFBDRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597095632 521501696 /nfs/dbraw/zinc/50/16/96/521501696.db2.gz YNAGTOVIENTCMX-SNVBAGLBSA-N 1 0 355.826 2.826 20 5 FFBDRO COCC1(C2CC2)C[NH+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000602732522 521503026 /nfs/dbraw/zinc/50/30/26/521503026.db2.gz REWCYQOXROEZEC-UHFFFAOYSA-N 1 0 356.426 2.854 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CCN(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000602786554 521531469 /nfs/dbraw/zinc/53/14/69/521531469.db2.gz QZRRSDCZKGNRDX-SFHVURJKSA-N 1 0 357.458 2.554 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000602799642 521540311 /nfs/dbraw/zinc/54/03/11/521540311.db2.gz CAOOYVCVHBYEEI-UHFFFAOYSA-N 1 0 372.351 2.652 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(c2ncc3n2CCCC3)CC1 ZINC000602819444 521551943 /nfs/dbraw/zinc/55/19/43/521551943.db2.gz BTJQXRCNXVGHPP-UHFFFAOYSA-N 1 0 358.446 2.512 20 5 FFBDRO CCOC(=O)[C@@]1(C)CCC[C@H]1[NH2+]Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000597241605 521592649 /nfs/dbraw/zinc/59/26/49/521592649.db2.gz UJZDPXKSQFEMID-AEFFLSMTSA-N 1 0 366.414 2.824 20 5 FFBDRO CCOC(=O)[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000026218839 535521238 /nfs/dbraw/zinc/52/12/38/535521238.db2.gz RNGDCILWTUHWSD-CQSZACIVSA-N 1 0 363.414 2.507 20 5 FFBDRO C[C@@H](NC(=O)N=c1ccn(C2CC[NH+](C)CC2)[nH]1)c1ccccc1[N+](=O)[O-] ZINC000491258963 561444285 /nfs/dbraw/zinc/44/42/85/561444285.db2.gz MYSAKWZKSRNREJ-CYBMUJFWSA-N 1 0 372.429 2.941 20 5 FFBDRO O=C(Nc1ccn(-c2cc[nH+]cc2)n1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000498145846 561517015 /nfs/dbraw/zinc/51/70/15/561517015.db2.gz IMCSBLJZMRREAY-UHFFFAOYSA-N 1 0 360.333 2.976 20 5 FFBDRO C[NH+](C)Cc1cc(CNc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)ccc1F ZINC000736772281 599058887 /nfs/dbraw/zinc/05/88/87/599058887.db2.gz YVQWJSNVGNVEBT-UHFFFAOYSA-N 1 0 371.376 2.588 20 5 FFBDRO O=[N+]([O-])c1ccc(NC2CCC([NH+]3CCCCC3)CC2)c(-c2nn[nH]n2)c1 ZINC000823640058 606200922 /nfs/dbraw/zinc/20/09/22/606200922.db2.gz QQOSJBULWWYVGI-UHFFFAOYSA-N 1 0 371.445 2.984 20 5 FFBDRO Cc1nc(Cl)nc(N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)c1[N+](=O)[O-] ZINC001164725140 720333314 /nfs/dbraw/zinc/33/33/14/720333314.db2.gz LVLHYICCHOSDSM-UONOGXRCSA-N 1 0 374.832 2.595 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)cc(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164723932 720367176 /nfs/dbraw/zinc/36/71/76/720367176.db2.gz IDIJMOKSVQGAQY-GJZGRUSLSA-N 1 0 359.817 2.891 20 5 FFBDRO Cc1cc(S(=O)(=O)N(CC[NH+](C)C)C2CCCC2)cc([N+](=O)[O-])c1F ZINC000154278856 728800758 /nfs/dbraw/zinc/80/07/58/728800758.db2.gz IJLUSDMVTBNFDG-UHFFFAOYSA-N 1 0 373.450 2.537 20 5 FFBDRO COC(=O)C1(CCCC[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CCC1 ZINC000898408491 735357150 /nfs/dbraw/zinc/35/71/50/735357150.db2.gz RFSYJYRTCNGUEN-UHFFFAOYSA-N 1 0 350.419 2.598 20 5 FFBDRO CC(C)[N@H+](C)CCCNC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000232652389 729552406 /nfs/dbraw/zinc/55/24/06/729552406.db2.gz CKOIMUCVVZTEDG-UHFFFAOYSA-N 1 0 358.236 2.817 20 5 FFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](C[C@H](O)c3ccc(Cl)cc3)C2)nc1 ZINC000245441997 729569979 /nfs/dbraw/zinc/56/99/79/729569979.db2.gz HSMKHPHUIUAFNR-ZBFHGGJFSA-N 1 0 362.817 2.863 20 5 FFBDRO CCO[C@H]1COCC[C@H]1[NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000759172971 736552771 /nfs/dbraw/zinc/55/27/71/736552771.db2.gz KRRQKJDJVRBZFK-OCCSQVGLSA-N 1 0 359.220 2.641 20 5 FFBDRO C[NH+](C)C1(CNc2cccc(Br)c2[N+](=O)[O-])CCOCC1 ZINC000856730835 730351188 /nfs/dbraw/zinc/35/11/88/730351188.db2.gz HXWIIVKUOJPOOO-UHFFFAOYSA-N 1 0 358.236 2.880 20 5 FFBDRO CS[C@@H]1CN(c2cccc(Br)c2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000856737560 730352528 /nfs/dbraw/zinc/35/25/28/730352528.db2.gz HGJBBZPNIUDGKD-VXGBXAGGSA-N 1 0 360.277 2.839 20 5 FFBDRO C[NH+](C)CCN(Cc1ccccn1)C(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000859265978 730447794 /nfs/dbraw/zinc/44/77/94/730447794.db2.gz USEFNXCGOVEOKX-UHFFFAOYSA-N 1 0 362.817 2.847 20 5 FFBDRO O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000859667137 730462396 /nfs/dbraw/zinc/46/23/96/730462396.db2.gz CTAKWIGNLVBGSA-GFCCVEGCSA-N 1 0 369.219 2.763 20 5 FFBDRO COc1ccc(NC(=O)CC[NH2+][C@H](C)c2ccns2)c([N+](=O)[O-])c1 ZINC000860055313 730474544 /nfs/dbraw/zinc/47/45/44/730474544.db2.gz VADLXHNMTOKEKC-SNVBAGLBSA-N 1 0 350.400 2.739 20 5 FFBDRO CO[C@@H]1C[N@H+](C)[C@](C)(COC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)C1 ZINC000861340143 730600584 /nfs/dbraw/zinc/60/05/84/730600584.db2.gz FFZMUYULNXRSIX-IFIJOSMWSA-N 1 0 368.455 2.728 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(Cl)cc1N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000863477471 730785029 /nfs/dbraw/zinc/78/50/29/730785029.db2.gz NAMBFOPUJNYDMC-GFCCVEGCSA-N 1 0 357.813 2.982 20 5 FFBDRO CC(C)OCC[NH+]1CCC(Nc2cc(F)c([N+](=O)[O-])cc2CO)CC1 ZINC000865579148 730972572 /nfs/dbraw/zinc/97/25/72/730972572.db2.gz MQYIWPFWUNJSEY-UHFFFAOYSA-N 1 0 355.410 2.528 20 5 FFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC[S@](=O)CC(F)(F)F ZINC000866385609 731054108 /nfs/dbraw/zinc/05/41/08/731054108.db2.gz OIPWXJTVEVQHKQ-KLVQOETNSA-N 1 0 356.341 2.566 20 5 FFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000866394574 731054742 /nfs/dbraw/zinc/05/47/42/731054742.db2.gz WIFPPWYPKSSZIV-QWHCGFSZSA-N 1 0 351.422 2.902 20 5 FFBDRO O=C(CN1CCC[C@H](c2cc[nH]n2)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000917174460 737744698 /nfs/dbraw/zinc/74/46/98/737744698.db2.gz SXQQIIDPTPRZDW-NSHDSACASA-N 1 0 363.805 2.789 20 5 FFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1CC2(CO1)CCOCC2 ZINC000866535704 731071939 /nfs/dbraw/zinc/07/19/39/731071939.db2.gz WMLQECWIGYXMNP-CJNGLKHVSA-N 1 0 352.406 2.840 20 5 FFBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000872033931 731722992 /nfs/dbraw/zinc/72/29/92/731722992.db2.gz KKZZUQLTOWVPST-CFVMTHIKSA-N 1 0 351.472 2.831 20 5 FFBDRO COCCO[C@@H]1COCC[C@H]1[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872063800 731725668 /nfs/dbraw/zinc/72/56/68/731725668.db2.gz SQTKBSMFDWDIGV-DAXOMENPSA-N 1 0 370.471 2.788 20 5 FFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CC1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000872118951 731731438 /nfs/dbraw/zinc/73/14/38/731731438.db2.gz MADNTFQHZRKQTE-XQERAMJGSA-N 1 0 350.440 2.528 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[NH2+]CCC1(C)C ZINC000872294475 731749500 /nfs/dbraw/zinc/74/95/00/731749500.db2.gz ODYHNBZWVXHLAQ-LLVKDONJSA-N 1 0 355.822 2.616 20 5 FFBDRO O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000926077843 738565576 /nfs/dbraw/zinc/56/55/76/738565576.db2.gz UPSOVSOBJIZRKX-JOYOIKCWSA-N 1 0 369.219 2.573 20 5 FFBDRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000874837190 732105778 /nfs/dbraw/zinc/10/57/78/732105778.db2.gz IZUFOJFYQPPDAK-STQMWFEESA-N 1 0 368.231 2.666 20 5 FFBDRO Cc1nc(C2CC[NH2+]CC2)sc1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000876577876 732258682 /nfs/dbraw/zinc/25/86/82/732258682.db2.gz RWQLWQICEJQABW-UHFFFAOYSA-N 1 0 360.439 2.757 20 5 FFBDRO O=C(c1c(Br)cccc1[N+](=O)[O-])N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000876844022 732287084 /nfs/dbraw/zinc/28/70/84/732287084.db2.gz VXHNNHDSTWVUBP-OAHLLOKOSA-N 1 0 368.231 2.573 20 5 FFBDRO [NH3+]C[C@@H]1CN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC[C@H]1C(F)(F)F ZINC000877017778 732313019 /nfs/dbraw/zinc/31/30/19/732313019.db2.gz QZVWAYSPEGOYQJ-WLFHHNNMSA-N 1 0 357.332 2.594 20 5 FFBDRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1c(Br)cccc1[N+](=O)[O-] ZINC000877246026 732336389 /nfs/dbraw/zinc/33/63/89/732336389.db2.gz MXAZWFSYVLOWAJ-JGPRNRPPSA-N 1 0 368.231 2.618 20 5 FFBDRO O=C(N[C@@]12CCC[C@@H]1[NH2+]CC2)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000877392642 732356701 /nfs/dbraw/zinc/35/67/01/732356701.db2.gz HKFNVAUXNAADCQ-SMDDNHRTSA-N 1 0 372.194 2.511 20 5 FFBDRO CC(C)[C@H](C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)C(=O)OC(C)(C)C ZINC000877617999 732398756 /nfs/dbraw/zinc/39/87/56/732398756.db2.gz BZCXIFQIBXUQLW-PIMMBPRGSA-N 1 0 352.435 2.698 20 5 FFBDRO C[C@]12COC[C@@H]1C[N@H+](Cc1nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o1)C2 ZINC000878949130 732620360 /nfs/dbraw/zinc/62/03/60/732620360.db2.gz IXLUSQSQGCQURP-QFYYESIMSA-N 1 0 364.789 2.767 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)o1 ZINC000878991190 732627981 /nfs/dbraw/zinc/62/79/81/732627981.db2.gz VSVOYSCVMUBRIB-MNOVXSKESA-N 1 0 364.789 2.767 20 5 FFBDRO C[C@@](CO)([NH2+]C[C@@H](O)c1cccc(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000879272946 732676599 /nfs/dbraw/zinc/67/65/99/732676599.db2.gz FOUCORCMPRWESP-SJORKVTESA-N 1 0 350.802 2.779 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000879560715 732723225 /nfs/dbraw/zinc/72/32/25/732723225.db2.gz IFHZXQDTTFTUMD-QWHCGFSZSA-N 1 0 365.455 2.617 20 5 FFBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000879563084 732724443 /nfs/dbraw/zinc/72/44/43/732724443.db2.gz QGCXSGGKWFGBFE-STQMWFEESA-N 1 0 363.439 2.578 20 5 FFBDRO CC[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000880469244 732912048 /nfs/dbraw/zinc/91/20/48/732912048.db2.gz UOWIZCUNXONZEV-DGCLKSJQSA-N 1 0 355.822 2.982 20 5 FFBDRO C[C@H](C[C@H]1CCC(=O)N1)[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000926849043 738661354 /nfs/dbraw/zinc/66/13/54/738661354.db2.gz GKZAGNMDEWWYGI-BXKDBHETSA-N 1 0 356.220 2.504 20 5 FFBDRO O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000881472016 733059449 /nfs/dbraw/zinc/05/94/49/733059449.db2.gz DVLQEJAQVXXANO-ZDUSSCGKSA-N 1 0 367.833 2.621 20 5 FFBDRO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CCN1c1cc[nH+]cc1 ZINC000881637746 733077563 /nfs/dbraw/zinc/07/75/63/733077563.db2.gz GUOPJQYXXJDIMO-GFCCVEGCSA-N 1 0 360.801 2.994 20 5 FFBDRO O=C(NCc1ccc(Br)cc1[N+](=O)[O-])[C@H]1CCC[N@@H+]1C1CC1 ZINC000881865510 733123139 /nfs/dbraw/zinc/12/31/39/733123139.db2.gz XPEAEZVUYUFVLQ-CYBMUJFWSA-N 1 0 368.231 2.600 20 5 FFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](O)c1ccnn1C ZINC000927135078 738695215 /nfs/dbraw/zinc/69/52/15/738695215.db2.gz LWQOTWCJEYORIW-IUODEOHRSA-N 1 0 350.444 2.522 20 5 FFBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2C[C@@H](O)C23CCOCC3)cc1[N+](=O)[O-] ZINC000927156067 738698125 /nfs/dbraw/zinc/69/81/25/738698125.db2.gz MRTLEZHDCMPFSM-AFAVFJNCSA-N 1 0 350.415 2.574 20 5 FFBDRO C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886200342 733759284 /nfs/dbraw/zinc/75/92/84/733759284.db2.gz IDJMJDIVDSTCLS-GXTWGEPZSA-N 1 0 350.419 2.725 20 5 FFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000888288150 734032199 /nfs/dbraw/zinc/03/21/99/734032199.db2.gz CQBGLVFOVSDULT-NEPJUHHUSA-N 1 0 368.821 2.541 20 5 FFBDRO C[C@@]1(NC(=O)c2ccc([N+](=O)[O-])cc2Br)C[NH+]2CCC1CC2 ZINC000892782134 734602525 /nfs/dbraw/zinc/60/25/25/734602525.db2.gz ULMXWHARCDVIKR-OAHLLOKOSA-N 1 0 368.231 2.571 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@@]2(C)C[NH+]3CCC2CC3)cc1SC ZINC000892782713 734603007 /nfs/dbraw/zinc/60/30/07/734603007.db2.gz AWYYPANBJRFTNE-KRWDZBQOSA-N 1 0 365.455 2.539 20 5 FFBDRO O=[N+]([O-])c1ccc(Cl)c(CN2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC000735493582 734948336 /nfs/dbraw/zinc/94/83/36/734948336.db2.gz YOOBGZYBJQEVLV-UHFFFAOYSA-N 1 0 353.850 2.792 20 5 FFBDRO C[NH+]1CCC(NC(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)CC1 ZINC000895522973 735018676 /nfs/dbraw/zinc/01/86/76/735018676.db2.gz ZIUCZWJPZPBFNW-UHFFFAOYSA-N 1 0 350.177 2.865 20 5 FFBDRO CC1([NH+]2CCC2)CCC(Nc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000896255824 735126407 /nfs/dbraw/zinc/12/64/07/735126407.db2.gz SNEAKUPYKAOGRJ-UHFFFAOYSA-N 1 0 373.500 2.879 20 5 FFBDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000900043663 735593145 /nfs/dbraw/zinc/59/31/45/735593145.db2.gz XXPWSIQXLGVGCA-WDEREUQCSA-N 1 0 368.231 2.666 20 5 FFBDRO C[C@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)N1CCc2sccc2C1 ZINC000749674365 735737540 /nfs/dbraw/zinc/73/75/40/735737540.db2.gz WYIKVPUZHAZKJM-DYVFJYSZSA-N 1 0 361.467 2.726 20 5 FFBDRO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000749993770 735765704 /nfs/dbraw/zinc/76/57/04/735765704.db2.gz OEZDWPUAUKEJAJ-ZDUSSCGKSA-N 1 0 367.833 2.621 20 5 FFBDRO COC(=O)N1CCC(C[NH2+][C@H](C)c2cc(OC)cc([N+](=O)[O-])c2)CC1 ZINC000903171896 736047577 /nfs/dbraw/zinc/04/75/77/736047577.db2.gz SUNCSNFHOXTKED-GFCCVEGCSA-N 1 0 351.403 2.732 20 5 FFBDRO COc1cc([C@H](C)[NH2+]C[C@@H]2CC[C@]3(CO[C@H](C)C3)O2)cc([N+](=O)[O-])c1 ZINC000903221758 736058314 /nfs/dbraw/zinc/05/83/14/736058314.db2.gz SRJJOMTTXOQILD-IHHFWDAISA-N 1 0 350.415 2.981 20 5 FFBDRO COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000903450812 736096328 /nfs/dbraw/zinc/09/63/28/736096328.db2.gz OCNLUFMHIYPIPI-BARDWOONSA-N 1 0 350.419 2.596 20 5 FFBDRO [NH3+][C@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC[C@@H]1C(F)(F)F ZINC000903981876 736199546 /nfs/dbraw/zinc/19/95/46/736199546.db2.gz JNDPMDWSVWXNFK-QWRGUYRKSA-N 1 0 369.290 2.908 20 5 FFBDRO CC1(C)CC[C@H](CC[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])OC1 ZINC000905641518 736374751 /nfs/dbraw/zinc/37/47/51/736374751.db2.gz CXBQWYXYAKFPSX-HUUCEWRRSA-N 1 0 352.431 2.519 20 5 FFBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000756937481 736374847 /nfs/dbraw/zinc/37/48/47/736374847.db2.gz WVQYSEQPAKFRBN-AWEZNQCLSA-N 1 0 354.838 2.922 20 5 FFBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000756967210 736378388 /nfs/dbraw/zinc/37/83/88/736378388.db2.gz SGRCZESKZXUXMG-CHWSQXEVSA-N 1 0 354.838 2.920 20 5 FFBDRO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000906240752 736475344 /nfs/dbraw/zinc/47/53/44/736475344.db2.gz OZROIAPYEXCWGC-KGLIPLIRSA-N 1 0 351.834 2.924 20 5 FFBDRO Nc1c(Cl)cc(C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000906459352 736505233 /nfs/dbraw/zinc/50/52/33/736505233.db2.gz LGDLQSINECHSMQ-GFCCVEGCSA-N 1 0 352.822 2.531 20 5 FFBDRO CC[C@@H](C)[NH2+][C@H](CNS(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccco1 ZINC000796047828 740096095 /nfs/dbraw/zinc/09/60/95/740096095.db2.gz LCNKTBHORRBSCO-ZYHUDNBSSA-N 1 0 373.456 2.657 20 5 FFBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC000906790860 736543957 /nfs/dbraw/zinc/54/39/57/736543957.db2.gz JTAALZSLRNHMLW-LRDDRELGSA-N 1 0 353.850 2.979 20 5 FFBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000906848208 736550878 /nfs/dbraw/zinc/55/08/78/736550878.db2.gz VGNLOKBHYRFUSS-ZDUSSCGKSA-N 1 0 353.850 2.981 20 5 FFBDRO C[NH+](C)CCOc1cc(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])ccn1 ZINC000765391855 737114492 /nfs/dbraw/zinc/11/44/92/737114492.db2.gz YOPKFKRYVMTTPQ-UHFFFAOYSA-N 1 0 364.789 2.836 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])c(NC[C@]2([NH+](C)C)CCSC2)cc1Cl ZINC000765516624 737127584 /nfs/dbraw/zinc/12/75/84/737127584.db2.gz NRKYECKEWSZQQM-OAHLLOKOSA-N 1 0 373.862 2.884 20 5 FFBDRO CC[N@@H+]1C[C@@H](C)N(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C[C@H]1C ZINC000766253170 737212618 /nfs/dbraw/zinc/21/26/18/737212618.db2.gz JATYXDAGLZYRPN-VXGBXAGGSA-N 1 0 354.838 2.601 20 5 FFBDRO C[C@H]1[NH2+]CCn2c(C(=O)N(C)Cc3cc([N+](=O)[O-])ccc3Cl)ccc21 ZINC000912149328 737270658 /nfs/dbraw/zinc/27/06/58/737270658.db2.gz BJQLAGXCKFAJLZ-LLVKDONJSA-N 1 0 362.817 2.986 20 5 FFBDRO O=C(c1cc(C(F)(F)F)ccc1[N+](=O)[O-])N1CCC([NH+]2CCC2)CC1 ZINC000912872363 737351932 /nfs/dbraw/zinc/35/19/32/737351932.db2.gz ZMGBOKPQEHZHPW-UHFFFAOYSA-N 1 0 357.332 2.924 20 5 FFBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000771508622 737731542 /nfs/dbraw/zinc/73/15/42/737731542.db2.gz IPXCVWRYPUIGAH-GFCCVEGCSA-N 1 0 363.443 2.594 20 5 FFBDRO COC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000775352342 738086072 /nfs/dbraw/zinc/08/60/72/738086072.db2.gz RVNJXWRSZAGKDF-JSGCOSHPSA-N 1 0 351.403 2.560 20 5 FFBDRO C[C@@H](C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)N1CCc2sccc2C1 ZINC000776273766 738176729 /nfs/dbraw/zinc/17/67/29/738176729.db2.gz ADWOXEVOSKFOLK-GUYCJALGSA-N 1 0 361.467 2.726 20 5 FFBDRO C[C@H](NC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000922643842 738178478 /nfs/dbraw/zinc/17/84/78/738178478.db2.gz BVYCFPQPSSROPY-RCBQFDQVSA-N 1 0 364.471 2.535 20 5 FFBDRO C[NH+](C)CCOc1cc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])ccn1 ZINC000776344349 738184577 /nfs/dbraw/zinc/18/45/77/738184577.db2.gz CMFKDJXNZJTBFS-UHFFFAOYSA-N 1 0 364.789 2.836 20 5 FFBDRO O=[N+]([O-])c1cccc(C[NH2+]CC2(n3cc(Br)cn3)CC2)c1 ZINC000922804258 738203079 /nfs/dbraw/zinc/20/30/79/738203079.db2.gz WNFDPZDXMGXQGK-UHFFFAOYSA-N 1 0 351.204 2.833 20 5 FFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000922848695 738208769 /nfs/dbraw/zinc/20/87/69/738208769.db2.gz ATCPUUDACJCCNW-RODUEFRLSA-N 1 0 350.440 2.696 20 5 FFBDRO CCOC(=O)CC[C@@H]1CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776590751 738212277 /nfs/dbraw/zinc/21/22/77/738212277.db2.gz KGAMYCXIJCWFLW-YOEHRIQHSA-N 1 0 350.415 2.684 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)C[C@@H]1C ZINC000778009120 738342139 /nfs/dbraw/zinc/34/21/39/738342139.db2.gz KTLWDFOOYKDJJA-STQMWFEESA-N 1 0 373.450 2.536 20 5 FFBDRO COCC[N@@H+](Cc1scnc1C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000785996809 739017703 /nfs/dbraw/zinc/01/77/03/739017703.db2.gz UZFADTQBXBPWRC-OAHLLOKOSA-N 1 0 351.428 2.542 20 5 FFBDRO CC[NH+](CC)CC(=O)N1CCN(c2c(C)cc([N+](=O)[O-])cc2Cl)CC1 ZINC000788326431 739233380 /nfs/dbraw/zinc/23/33/80/739233380.db2.gz BWHQMICHNWAATO-UHFFFAOYSA-N 1 0 368.865 2.547 20 5 FFBDRO C[NH+](C)C1(C)CCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000931354447 739250309 /nfs/dbraw/zinc/25/03/09/739250309.db2.gz VCSYQHBCOSGFAW-UHFFFAOYSA-N 1 0 354.838 2.603 20 5 FFBDRO C[NH+](C)Cc1ccc(S(=O)(=O)Oc2c(F)cccc2[N+](=O)[O-])cc1 ZINC000790051349 739413117 /nfs/dbraw/zinc/41/31/17/739413117.db2.gz OWBGVZHLLNUKPI-UHFFFAOYSA-N 1 0 354.359 2.563 20 5 FFBDRO CC[N@@H+]1CCC[C@H](CNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000790599081 739473137 /nfs/dbraw/zinc/47/31/37/739473137.db2.gz RRYUQFKKFPLTAY-LLVKDONJSA-N 1 0 357.813 2.778 20 5 FFBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC(Cc3nc4c(s3)CCC4)CC2)n1 ZINC000932624715 739480664 /nfs/dbraw/zinc/48/06/64/739480664.db2.gz RKXSUFSYIMJRFD-UHFFFAOYSA-N 1 0 361.471 2.691 20 5 FFBDRO CC(C)[NH+](CCNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)C(C)C ZINC000791196090 739536732 /nfs/dbraw/zinc/53/67/32/739536732.db2.gz AGFJHUCNXOXWBV-UHFFFAOYSA-N 1 0 354.426 2.649 20 5 FFBDRO C[C@@H]1C[C@H](N(C)C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)CC[N@@H+]1C ZINC000933440258 739626415 /nfs/dbraw/zinc/62/64/15/739626415.db2.gz CJVOLHRQAMPQPS-RKDXNWHRSA-N 1 0 358.801 2.524 20 5 FFBDRO C[C@@](CO)(Cc1ccc(Cl)cc1)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000933442700 739626723 /nfs/dbraw/zinc/62/67/23/739626723.db2.gz NWFUBVOEZANXHW-MSOLQXFVSA-N 1 0 364.829 2.865 20 5 FFBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)CCc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000933798681 739691260 /nfs/dbraw/zinc/69/12/60/739691260.db2.gz RPVXMHXMBCAFMU-ZDUSSCGKSA-N 1 0 353.850 2.981 20 5 FFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCOC12CCOCC2 ZINC000934407292 739783147 /nfs/dbraw/zinc/78/31/47/739783147.db2.gz ZRPXQRJOHVIWND-KRWDZBQOSA-N 1 0 350.415 2.810 20 5 FFBDRO C[C@]1(C2CC2)COCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000934477438 739790713 /nfs/dbraw/zinc/79/07/13/739790713.db2.gz JRFOLSHILRWJSI-QGZVFWFLSA-N 1 0 351.378 2.563 20 5 FFBDRO Cc1ccc(C[NH+]2CCC(CN=[S@](C)(=O)N(C)C)CC2)cc1[N+](=O)[O-] ZINC000934754212 739832956 /nfs/dbraw/zinc/83/29/56/739832956.db2.gz FOLKHOTVKXVWRU-VWLOTQADSA-N 1 0 368.503 2.690 20 5 FFBDRO C[C@]12CSC[C@H]1C[N@H+](CCCn1c(=O)oc3ccc([N+](=O)[O-])cc31)C2 ZINC000934770817 739836883 /nfs/dbraw/zinc/83/68/83/739836883.db2.gz HECNDFPARXBVRF-PXAZEXFGSA-N 1 0 363.439 2.578 20 5 FFBDRO C[NH+](C)CC1CCC(NC(=O)CCc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000935030285 739882199 /nfs/dbraw/zinc/88/21/99/739882199.db2.gz XEGNEPWGCVPHBF-UHFFFAOYSA-N 1 0 351.422 2.903 20 5 FFBDRO CCC(CC)C[NH+]1CCC2(CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1 ZINC000957547900 740545532 /nfs/dbraw/zinc/54/55/32/740545532.db2.gz UGZJTVJNCRGKER-IAGOWNOFSA-N 1 0 351.491 2.792 20 5 FFBDRO CS[C@@H]1CN(Cc2ccc(Br)c([N+](=O)[O-])c2)C[C@@H]1[NH+](C)C ZINC000801525025 740627565 /nfs/dbraw/zinc/62/75/65/740627565.db2.gz DLRSBTJSHREBHF-UONOGXRCSA-N 1 0 374.304 2.835 20 5 FFBDRO COCC[NH+](CCOC)C1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000804819155 740907569 /nfs/dbraw/zinc/90/75/69/740907569.db2.gz MZZXDBLKWLGUDH-UHFFFAOYSA-N 1 0 371.865 2.812 20 5 FFBDRO COc1ccc(COC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000811446647 741522773 /nfs/dbraw/zinc/52/27/73/741522773.db2.gz WAPDZDXIWVQMFR-KRWDZBQOSA-N 1 0 354.378 2.859 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000814910274 741874357 /nfs/dbraw/zinc/87/43/57/741874357.db2.gz YHVUABDNZXQRMW-QGZVFWFLSA-N 1 0 367.833 2.957 20 5 FFBDRO C[C@@H]1CC2(CN1C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])CC[NH2+]CC2 ZINC000818291614 742259131 /nfs/dbraw/zinc/25/91/31/742259131.db2.gz RNLZWQRLZMDJPL-LLVKDONJSA-N 1 0 369.824 2.920 20 5 FFBDRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000818473790 742273205 /nfs/dbraw/zinc/27/32/05/742273205.db2.gz CBPZNTUEBIEOFL-YHWZYXNKSA-N 1 0 368.231 2.842 20 5 FFBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])C[C@H]21 ZINC000818574621 742279968 /nfs/dbraw/zinc/27/99/68/742279968.db2.gz KMVPUKJGYUHTHP-DRCTWCGVSA-N 1 0 355.797 2.516 20 5 FFBDRO C[C@@H](COc1ccc(F)cc1F)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000818975262 742319054 /nfs/dbraw/zinc/31/90/54/742319054.db2.gz VIOBZMFBAYXSEB-ZBEGNZNMSA-N 1 0 352.337 2.964 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2CCOC3(CCSCC3)C2)c1 ZINC000819178951 742348904 /nfs/dbraw/zinc/34/89/04/742348904.db2.gz GOCKYNUKCXZWLC-GOEBONIOSA-N 1 0 352.456 2.663 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@@H]2COC3(CCCCCC3)O2)cc1 ZINC000819211764 742354510 /nfs/dbraw/zinc/35/45/10/742354510.db2.gz FKWBCGSMBIPTBN-SJORKVTESA-N 1 0 350.415 2.684 20 5 FFBDRO C[C@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819342878 742378714 /nfs/dbraw/zinc/37/87/14/742378714.db2.gz XIKUJJWCZOTVOY-SLEUVZQESA-N 1 0 353.419 2.520 20 5 FFBDRO C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819342883 742378878 /nfs/dbraw/zinc/37/88/78/742378878.db2.gz XIKUJJWCZOTVOY-ZOWXZIJZSA-N 1 0 353.419 2.520 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000822654790 742764615 /nfs/dbraw/zinc/76/46/15/742764615.db2.gz SHVBUPKHCPBIAG-GFCCVEGCSA-N 1 0 350.419 2.845 20 5 FFBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c(Cl)cccc3[N+](=O)[O-])CC[C@H]21 ZINC000828509654 745078063 /nfs/dbraw/zinc/07/80/63/745078063.db2.gz FMOATODEBMSSTM-IUODEOHRSA-N 1 0 351.834 2.733 20 5 FFBDRO CCO[C@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)C[NH+](C)C ZINC000831770930 745581943 /nfs/dbraw/zinc/58/19/43/745581943.db2.gz GNMPZXKSDJIZQL-CYBMUJFWSA-N 1 0 351.428 2.506 20 5 FFBDRO C[N@H+](CCCCNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)C1CC1 ZINC000836359825 746200952 /nfs/dbraw/zinc/20/09/52/746200952.db2.gz ZMCMZLAQWNWGAR-UHFFFAOYSA-N 1 0 354.838 2.922 20 5 FFBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000838514895 746655952 /nfs/dbraw/zinc/65/59/52/746655952.db2.gz WUXVXCANMTUBJJ-AWEZNQCLSA-N 1 0 354.838 2.872 20 5 FFBDRO CC(C)[N@@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)C[C@H]1CCC(=O)N1 ZINC000839670340 746887130 /nfs/dbraw/zinc/88/71/30/746887130.db2.gz UAKMGRGNVXVFIH-GFCCVEGCSA-N 1 0 370.247 2.846 20 5 FFBDRO CC(C)[NH+](CCSCC(=O)NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000840203450 747037322 /nfs/dbraw/zinc/03/73/22/747037322.db2.gz KQRPNORGMQENQN-UHFFFAOYSA-N 1 0 367.471 2.703 20 5 FFBDRO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000841102554 747270229 /nfs/dbraw/zinc/27/02/29/747270229.db2.gz DMDLPRCETUIMLH-HIFRSBDPSA-N 1 0 368.821 2.608 20 5 FFBDRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841160709 747283695 /nfs/dbraw/zinc/28/36/95/747283695.db2.gz FLWCOCPWJXSOLT-LBPRGKRZSA-N 1 0 371.235 2.867 20 5 FFBDRO C[C@@](C[NH3+])(NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)C1CC1 ZINC000841161584 747284444 /nfs/dbraw/zinc/28/44/44/747284444.db2.gz NKLGDBGIDPQJLF-ZDUSSCGKSA-N 1 0 357.208 2.606 20 5 FFBDRO C[NH2+][C@H]1CCCN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000841162578 747285401 /nfs/dbraw/zinc/28/54/01/747285401.db2.gz WCXBOOMTAZWALD-JTQLQIEISA-N 1 0 357.208 2.573 20 5 FFBDRO C[C@@]1(CNC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CCC[NH2+]C1 ZINC000841162356 747285599 /nfs/dbraw/zinc/28/55/99/747285599.db2.gz VHEGSMRPUUEKPV-CQSZACIVSA-N 1 0 371.235 2.869 20 5 FFBDRO C[NH+](C)C[C@@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000846131698 748413987 /nfs/dbraw/zinc/41/39/87/748413987.db2.gz RKTGMEQHNNKYSD-CQSZACIVSA-N 1 0 355.866 2.937 20 5 FFBDRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)C2)C1 ZINC000846719371 748529066 /nfs/dbraw/zinc/52/90/66/748529066.db2.gz WQBMTHDTTVGMNF-WOSRLPQWSA-N 1 0 367.833 2.607 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)OCC[C@H]2CC[N@H+](C)C2)cc1SC ZINC000847827798 748791607 /nfs/dbraw/zinc/79/16/07/748791607.db2.gz XURURYPDXRTOOU-LLVKDONJSA-N 1 0 354.428 2.824 20 5 FFBDRO CSC[C@@H]1CCC[N@H+](CN2CC[C@@H](c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000848490614 748940153 /nfs/dbraw/zinc/94/01/53/748940153.db2.gz QAHFZGYLBWFKRG-PBHICJAKSA-N 1 0 363.483 2.943 20 5 FFBDRO Cn1nnc2c1CC[C@@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C2 ZINC000848926077 749035498 /nfs/dbraw/zinc/03/54/98/749035498.db2.gz KUTPMRZXTPDCCZ-SNVBAGLBSA-N 1 0 356.213 2.677 20 5 FFBDRO CCOc1ccc([C@@H](C)[NH2+]CC[S@@](=O)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000850495384 749375749 /nfs/dbraw/zinc/37/57/49/749375749.db2.gz CQXSWUIHYOFJMZ-VKTRGTBVSA-N 1 0 368.377 2.955 20 5 FFBDRO Cc1noc(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000852036483 749758038 /nfs/dbraw/zinc/75/80/38/749758038.db2.gz YVAUKSOPLDYTMI-CMPLNLGQSA-N 1 0 354.407 2.626 20 5 FFBDRO CC(C)C[NH2+]C1(CO)CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000852123556 749780381 /nfs/dbraw/zinc/78/03/81/749780381.db2.gz XCLOSXJXPBNSOR-UHFFFAOYSA-N 1 0 355.866 2.821 20 5 FFBDRO O=C(C[N@H+](C1CC1)C1(CO)CCC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000852159171 749789746 /nfs/dbraw/zinc/78/97/46/749789746.db2.gz QHGUMABTBKPKRV-UHFFFAOYSA-N 1 0 353.806 2.566 20 5 FFBDRO C[C@@H]1CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@H]1CCO ZINC000852463430 749867584 /nfs/dbraw/zinc/86/75/84/749867584.db2.gz VXGXOPGPQGRJQD-WBMJQRKESA-N 1 0 353.394 2.545 20 5 FFBDRO CCOC(=O)CC1([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CCOCC1 ZINC000852727420 749934814 /nfs/dbraw/zinc/93/48/14/749934814.db2.gz JZXYAHWOAOYXHG-UHFFFAOYSA-N 1 0 356.806 2.840 20 5 FFBDRO O=[N+]([O-])c1cccc(Br)c1NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000853240767 750036196 /nfs/dbraw/zinc/03/61/96/750036196.db2.gz FJDJOABGWCFMDB-MNOVXSKESA-N 1 0 356.220 2.632 20 5 FFBDRO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000067803665 845512262 /nfs/dbraw/zinc/51/22/62/845512262.db2.gz NIHZFQHYXMRBPU-CYBMUJFWSA-N 1 0 363.439 2.696 20 5 FFBDRO C[C@H](C[N@H+](C)Cc1ccccc1)Nc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000824414156 946698549 /nfs/dbraw/zinc/69/85/49/946698549.db2.gz VSSWUCYRHBDOIY-CYBMUJFWSA-N 1 0 367.413 2.707 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@H]3CC[C@@H](C(F)(F)F)O3)CC2)cn1 ZINC000896279685 971395058 /nfs/dbraw/zinc/39/50/58/971395058.db2.gz FCYSIUKENMZNHI-KGLIPLIRSA-N 1 0 374.363 2.658 20 5 FFBDRO Cn1cnc2cc(C[NH2+]C3CCN(c4ccc([N+](=O)[O-])nc4)CC3)ccc21 ZINC000896295402 971399587 /nfs/dbraw/zinc/39/95/87/971399587.db2.gz AMEZHIRLVNNIKV-UHFFFAOYSA-N 1 0 366.425 2.635 20 5 FFBDRO CN(C(=O)c1cc2ccccc2c([N+](=O)[O-])c1N)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000888922591 971401956 /nfs/dbraw/zinc/40/19/56/971401956.db2.gz CVJZIZOBXCZSFM-CQSZACIVSA-N 1 0 354.410 2.639 20 5 FFBDRO Nc1c(C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cc2ccccc2c1[N+](=O)[O-] ZINC000896519962 971533783 /nfs/dbraw/zinc/53/37/83/971533783.db2.gz ARZCMCKKGOZBDM-AWEZNQCLSA-N 1 0 368.437 2.888 20 5 FFBDRO Cc1cc(N2CCC3(CC2)C[C@H](O)CCO3)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000896575515 971595378 /nfs/dbraw/zinc/59/53/78/971595378.db2.gz ROIHCLOCAFWWLZ-OAHLLOKOSA-N 1 0 357.410 2.962 20 5 FFBDRO C[NH2+]Cc1cn(-c2nccc(C(=O)OC)c2[N+](=O)[O-])c2ccc(C)cc12 ZINC001167123655 960194743 /nfs/dbraw/zinc/19/47/43/960194743.db2.gz NLHLSVFOYODOEA-UHFFFAOYSA-N 1 0 354.366 2.748 20 5 FFBDRO Cc1nc(Cl)nc(N2Cc3ccccc3C3(CC[NH2+]CC3)C2)c1[N+](=O)[O-] ZINC001167159432 960333773 /nfs/dbraw/zinc/33/37/73/960333773.db2.gz DAJIEBGNCKUGGE-UHFFFAOYSA-N 1 0 373.844 2.988 20 5 FFBDRO Cc1c(C[NH2+]Cc2ccc(N3CCO[C@@H](C)C3)nc2)cccc1[N+](=O)[O-] ZINC000873014107 1013347556 /nfs/dbraw/zinc/34/75/56/1013347556.db2.gz LCKXVJMKKQRNGK-AWEZNQCLSA-N 1 0 356.426 2.813 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]Cc1cnc(N2CCOCC2)c(F)c1 ZINC000873105945 1013388224 /nfs/dbraw/zinc/38/82/24/1013388224.db2.gz CSWDLWRLJWZAJL-UHFFFAOYSA-N 1 0 374.416 2.872 20 5 FFBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CC[NH2+]CCC12CCC2 ZINC000891586024 964518054 /nfs/dbraw/zinc/51/80/54/964518054.db2.gz GSWINFZGBMFDQP-UHFFFAOYSA-N 1 0 360.458 2.845 20 5 FFBDRO Cc1cc(C(=O)N2CCC[C@H]([NH+]3[C@@H](C)CC[C@@H]3C)C2)c(N)c([N+](=O)[O-])c1 ZINC000729523262 967621174 /nfs/dbraw/zinc/62/11/74/967621174.db2.gz LEJBPDGEZSHGPL-KKUMJFAQSA-N 1 0 360.458 2.963 20 5 FFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C2CCC2)cc1 ZINC001029305139 967651435 /nfs/dbraw/zinc/65/14/35/967651435.db2.gz TTYJZUXJTVUPSX-IYWMVGAKSA-N 1 0 369.465 2.795 20 5 FFBDRO CCO[C@@H]1C[C@H]([N@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000121062579 968080543 /nfs/dbraw/zinc/08/05/43/968080543.db2.gz URQFUOCXNHXYGA-RYQLBKOJSA-N 1 0 364.442 2.614 20 5 FFBDRO Cc1cccc(CN(CC[NH+](C)C)C(=O)c2cc([N+](=O)[O-])cc(C)n2)c1 ZINC001125781396 968550607 /nfs/dbraw/zinc/55/06/07/968550607.db2.gz UREKQUIEJBXJTM-UHFFFAOYSA-N 1 0 356.426 2.811 20 5 FFBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000708701190 968879086 /nfs/dbraw/zinc/87/90/86/968879086.db2.gz HHHJWDYSWRLAOF-HOCLYGCPSA-N 1 0 368.437 2.675 20 5 FFBDRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](c2cnn(C)c2)C1 ZINC000875054484 1013958857 /nfs/dbraw/zinc/95/88/57/1013958857.db2.gz UNRULVSPQBWPSS-MSOLQXFVSA-N 1 0 371.441 2.781 20 5 FFBDRO COC(=O)[C@@H](C)C[N@H+](Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1)C1CC1 ZINC000103458329 970400943 /nfs/dbraw/zinc/40/09/43/970400943.db2.gz ZXGLVDMTJNKPKS-ZDUSSCGKSA-N 1 0 358.398 2.689 20 5 FFBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cc4ccccc4c([N+](=O)[O-])c3N)CC[C@H]21 ZINC000897016384 973154536 /nfs/dbraw/zinc/15/45/36/973154536.db2.gz GRHSAGVYWSAMQL-RHSMWYFYSA-N 1 0 368.437 2.887 20 5 FFBDRO Cc1cc(C)c(C[N@@H+](C)C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c(C)c1 ZINC000985431932 974069272 /nfs/dbraw/zinc/06/92/72/974069272.db2.gz UVMQGKHCEAIZTM-IEBWSBKVSA-N 1 0 359.470 2.700 20 5 FFBDRO CN(CC(C)(C)[NH3+])C(=O)c1cc(F)cc2c1[nH]c1ccc(F)cc1c2=O ZINC000662605190 975739474 /nfs/dbraw/zinc/73/94/74/975739474.db2.gz HZOYBXNBSIANQY-UHFFFAOYSA-N 1 0 359.376 2.769 20 5 FFBDRO Cc1ncccc1OC[C@H]1CCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000842173531 976710118 /nfs/dbraw/zinc/71/01/18/976710118.db2.gz RHNAKTPPVQLFDX-QZTJIDSGSA-N 1 0 357.410 2.875 20 5 FFBDRO CCC1([NH+]2CCC2)CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000899563669 977239824 /nfs/dbraw/zinc/23/98/24/977239824.db2.gz KKDZGMCIHABTTA-UHFFFAOYSA-N 1 0 357.414 2.562 20 5 FFBDRO C[C@]12CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@]1(C)C[N@H+](CCC1CCCCC1)C2 ZINC000982278400 977375866 /nfs/dbraw/zinc/37/58/66/977375866.db2.gz AZFUFSYUWVXUEY-LFGUQSLTSA-N 1 0 363.502 2.792 20 5 FFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@@H](CN3CCCC3)c3ccccc3)C2)c1 ZINC000876881071 1014409337 /nfs/dbraw/zinc/40/93/37/1014409337.db2.gz UYVUPUPMNLSPIP-TVPLGVNVSA-N 1 0 355.442 2.922 20 5 FFBDRO CC(C)(C)[C@@H](Cn1ccnc1)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000876957061 1014433566 /nfs/dbraw/zinc/43/35/66/1014433566.db2.gz SNMZQWWIVUHCPH-QGZVFWFLSA-N 1 0 372.473 2.860 20 5 FFBDRO C[C@@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)c1cccc(N2CCCC2=O)c1 ZINC000876972070 1014437077 /nfs/dbraw/zinc/43/70/77/1014437077.db2.gz HDLNYHXTOHFRFL-BZOOQXSSSA-N 1 0 369.425 2.972 20 5 FFBDRO Cc1ccccc1[C@H](O)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000877026933 1014454773 /nfs/dbraw/zinc/45/47/73/1014454773.db2.gz IZIZJKWHBGFUCI-GOSISDBHSA-N 1 0 356.426 2.590 20 5 FFBDRO COC(=O)Cc1ccc(N2CC[NH+](C3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000205254553 978462967 /nfs/dbraw/zinc/46/29/67/978462967.db2.gz FNZCKCSTLTXZFT-UHFFFAOYSA-N 1 0 361.442 2.765 20 5 FFBDRO O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877282357 1014536782 /nfs/dbraw/zinc/53/67/82/1014536782.db2.gz DHPZOGNXQVUHQU-XLIONFOSSA-N 1 0 361.445 2.508 20 5 FFBDRO COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877507678 1014606478 /nfs/dbraw/zinc/60/64/78/1014606478.db2.gz KKIUAIXFFCXEGF-VTCYXGNWSA-N 1 0 372.425 2.505 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@@H]2CCOc3c(F)cccc32)c1 ZINC000905636727 980477262 /nfs/dbraw/zinc/47/72/62/980477262.db2.gz MIUQGJGZNNYABZ-SUMWQHHRSA-N 1 0 362.357 2.587 20 5 FFBDRO COc1ccccc1CNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000905854449 980532069 /nfs/dbraw/zinc/53/20/69/980532069.db2.gz WKCWDSSVQWGKOD-ZIAGYGMSSA-N 1 0 357.410 2.959 20 5 FFBDRO CCN(CC[NH2+]Cc1ccc(C2CCCC2)cc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001482925312 981590918 /nfs/dbraw/zinc/59/09/18/981590918.db2.gz RGHDWMAAUQHERN-RTBURBONSA-N 1 0 359.470 2.948 20 5 FFBDRO Cc1cc(C)c(C[NH2+]C2CC3(CC(NC(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)C2)c(C)c1 ZINC000963789284 1014764345 /nfs/dbraw/zinc/76/43/45/1014764345.db2.gz VZJKCHYFTXWARD-ZMFIRQTCSA-N 1 0 371.481 2.794 20 5 FFBDRO CCOC(=O)C1([C@H](C)[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCOCC1 ZINC000897745668 982508047 /nfs/dbraw/zinc/50/80/47/982508047.db2.gz MUWCQVDRCJNWJH-LYASGUKUSA-N 1 0 362.426 2.946 20 5 FFBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878136093 1014877975 /nfs/dbraw/zinc/87/79/75/1014877975.db2.gz RRVZGIQPBLWMHF-AWEZNQCLSA-N 1 0 359.430 2.951 20 5 FFBDRO CC(C)Oc1cc(C(=O)N2C[C@]3(C)C[NH+](C)C[C@@]3(C)C2)ccc1[N+](=O)[O-] ZINC000913273146 984226561 /nfs/dbraw/zinc/22/65/61/984226561.db2.gz DGDJOXDBNIXPRD-OALUTQOASA-N 1 0 361.442 2.796 20 5 FFBDRO C[NH+]1C[C@@]2(C)CN(C(=O)c3ccc([N+](=O)[O-])c4cccnc34)C[C@]2(C)C1 ZINC000913284760 984231527 /nfs/dbraw/zinc/23/15/27/984231527.db2.gz QGGYJYHBXADFCZ-OALUTQOASA-N 1 0 354.410 2.557 20 5 FFBDRO O=C(C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])NCc1ccco1 ZINC000129708884 984510170 /nfs/dbraw/zinc/51/01/70/984510170.db2.gz IMIHDYFKFHBTCP-WMLDXEAASA-N 1 0 357.410 2.805 20 5 FFBDRO O=C(CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)N1CCCCC1 ZINC000765074192 984954641 /nfs/dbraw/zinc/95/46/41/984954641.db2.gz DBQNSMYCDAYXHG-UHFFFAOYSA-N 1 0 360.458 2.556 20 5 FFBDRO Nc1ccc(C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000062231603 985445733 /nfs/dbraw/zinc/44/57/33/985445733.db2.gz BDSALKSXEKRCDI-MRXNPFEDSA-N 1 0 368.437 2.819 20 5 FFBDRO C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(C[N@@H+]2CCC3(CCCC3)C2)C1=O ZINC000173441955 985833363 /nfs/dbraw/zinc/83/33/63/985833363.db2.gz CVLLOHDZUNPNLB-SFHVURJKSA-N 1 0 372.425 2.585 20 5 FFBDRO C[C@@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1cccc(N2CCOC2=O)c1 ZINC000765848634 986726932 /nfs/dbraw/zinc/72/69/32/986726932.db2.gz JUACKZKKLHZQNS-FZKQIMNGSA-N 1 0 371.393 2.936 20 5 FFBDRO CC(C)N(CC[N@H+](C)CC1CCC2(CC2)CC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001486368075 987276124 /nfs/dbraw/zinc/27/61/24/987276124.db2.gz JFJAUZTVILYTEP-IAGOWNOFSA-N 1 0 351.491 2.791 20 5 FFBDRO COc1cc(C[NH2+]C[C@](C)(O)c2cccc(F)c2)c([N+](=O)[O-])cc1OC ZINC000922565532 988696364 /nfs/dbraw/zinc/69/63/64/988696364.db2.gz CRBWQIFYZYZUPR-SFHVURJKSA-N 1 0 364.373 2.748 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000922847645 988952120 /nfs/dbraw/zinc/95/21/20/988952120.db2.gz VIPFGMWSFQISAA-UHFFFAOYSA-N 1 0 361.442 2.585 20 5 FFBDRO O=C(NC1CC1)c1ccc(NC2CC[NH+](CC3CC3)CC2)c([N+](=O)[O-])c1 ZINC000194088046 989152214 /nfs/dbraw/zinc/15/22/14/989152214.db2.gz GGUOTHBPHHSFCP-UHFFFAOYSA-N 1 0 358.442 2.773 20 5 FFBDRO Cc1ccc(C(=O)N2CC[NH2+][C@H](Cc3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC001168744959 989314480 /nfs/dbraw/zinc/31/44/80/989314480.db2.gz UNKXMQQHULLGQX-QGZVFWFLSA-N 1 0 357.385 2.699 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@@H](O)c2cccc(C(F)(F)F)c2)cc1 ZINC000916966397 990080094 /nfs/dbraw/zinc/08/00/94/990080094.db2.gz DMBGMAPUNKYDHE-HZPDHXFCSA-N 1 0 370.327 2.970 20 5 FFBDRO Cc1ccc(F)c(C[NH2+]Cc2ccc(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cc2)c1 ZINC001034816043 990270462 /nfs/dbraw/zinc/27/04/62/990270462.db2.gz JFCXIHNEFGGNON-IEBWSBKVSA-N 1 0 371.412 2.705 20 5 FFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(CC[N@H+](CCC3CCCCC3)C2)CC1 ZINC001035187181 990409429 /nfs/dbraw/zinc/40/94/29/990409429.db2.gz OYBICRFETMWSQW-QZTJIDSGSA-N 1 0 363.502 2.937 20 5 FFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(C[NH+](CC3CCC4(CC4)CC3)C2)CC1 ZINC001035706640 990529693 /nfs/dbraw/zinc/52/96/93/990529693.db2.gz JNYPEAVEZDWDFN-IAGOWNOFSA-N 1 0 361.486 2.546 20 5 FFBDRO Cc1ccc([C@H](O)C[NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000130674311 990709440 /nfs/dbraw/zinc/70/94/40/990709440.db2.gz YUIDTYAUVHMGNX-KBXCAEBGSA-N 1 0 357.410 2.944 20 5 FFBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000919877936 990752392 /nfs/dbraw/zinc/75/23/92/990752392.db2.gz QOHUWSFDJGMABG-RBSFLKMASA-N 1 0 362.474 2.757 20 5 FFBDRO CC[NH+](CC)CCN(CC(C)C)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000920002547 990779083 /nfs/dbraw/zinc/77/90/83/990779083.db2.gz LFEDYYQWIOFZHQ-UHFFFAOYSA-N 1 0 366.418 2.943 20 5 FFBDRO O=C(NCC1C[NH+](Cc2ccc(C3CCCC3)cc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001031662336 990859303 /nfs/dbraw/zinc/85/93/03/990859303.db2.gz BVCSQUIQJZORRS-RTBURBONSA-N 1 0 357.454 2.557 20 5 FFBDRO CC1(C)[C@H](c2ccccc2F)CC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000879638865 1015621222 /nfs/dbraw/zinc/62/12/22/1015621222.db2.gz GHEKIKRNSSAKRJ-ZBFHGGJFSA-N 1 0 362.405 2.559 20 5 FFBDRO Cc1cc(C(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c(N)c([N+](=O)[O-])c1 ZINC000068548611 991465178 /nfs/dbraw/zinc/46/51/78/991465178.db2.gz FJBJBKRRQMKWFE-GASCZTMLSA-N 1 0 362.474 2.973 20 5 FFBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000880059783 1015744031 /nfs/dbraw/zinc/74/40/31/1015744031.db2.gz QIQVHBZQVTVYHB-ZDUSSCGKSA-N 1 0 365.430 2.606 20 5 FFBDRO COc1cc2c(cc1OC)[C@H](C)N(CCn1c(C)ncc1[N+](=O)[O-])CC2 ZINC000880088085 1015752334 /nfs/dbraw/zinc/75/23/34/1015752334.db2.gz IVRSSVBILJBKOO-LBPRGKRZSA-N 1 0 360.414 2.736 20 5 FFBDRO COc1cc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC ZINC000809734342 994585427 /nfs/dbraw/zinc/58/54/27/994585427.db2.gz BEDAMRKLDOKURX-UHFFFAOYSA-N 1 0 361.398 2.586 20 5 FFBDRO COc1cc2c(cc1CN(CC[NH3+])c1ccc([N+](=O)[O-])cc1)O[C@H](C)C2 ZINC000809735208 994585678 /nfs/dbraw/zinc/58/56/78/994585678.db2.gz VKFUGGQMIMINHD-CYBMUJFWSA-N 1 0 357.410 2.892 20 5 FFBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(N2CCCCC2=O)cc1 ZINC000810127331 994707919 /nfs/dbraw/zinc/70/79/19/994707919.db2.gz XYEJPYZZJNKBLT-AWEZNQCLSA-N 1 0 357.414 2.659 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCC[C@@](CO)(Cc3ccccc3)C2)cc1 ZINC000812873997 995557496 /nfs/dbraw/zinc/55/74/96/995557496.db2.gz RQAZNMYHUNGVQI-LEWJYISDSA-N 1 0 370.449 2.945 20 5 FFBDRO C[C@H]1C[C@H](NC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)C[N@@H+]1Cc1ccccc1 ZINC000823981537 996772277 /nfs/dbraw/zinc/77/22/77/996772277.db2.gz ZLFFQTLOWCSMEM-BBRMVZONSA-N 1 0 369.425 2.962 20 5 FFBDRO CC[NH+](CC)[C@@H](CNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000824235507 996830664 /nfs/dbraw/zinc/83/06/64/996830664.db2.gz BJPJZUQIIDDVMW-RBUKOAKNSA-N 1 0 371.437 2.828 20 5 FFBDRO O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000824616433 997015227 /nfs/dbraw/zinc/01/52/27/997015227.db2.gz VWGMXBDSGSKORX-RTBURBONSA-N 1 0 369.421 2.582 20 5 FFBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccnc(-c4ccccc4)c3[N+](=O)[O-])CC[C@H]21 ZINC000827268058 1016089428 /nfs/dbraw/zinc/08/94/28/1016089428.db2.gz QFZYCCXORCPEQT-NVXWUHKLSA-N 1 0 366.421 2.823 20 5 FFBDRO Cc1c(CO)cc([N+](=O)[O-])c(NCC[N@H+]2[C@H](C)CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000730806517 997496170 /nfs/dbraw/zinc/49/61/70/997496170.db2.gz RDVQPZQPDLZCMC-TXEJJXNPSA-N 1 0 366.418 2.979 20 5 FFBDRO Cc1c(CO)cc([N+](=O)[O-])c(NCC[NH+]2[C@@H](C)CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000730806516 997496807 /nfs/dbraw/zinc/49/68/07/997496807.db2.gz RDVQPZQPDLZCMC-RYUDHWBXSA-N 1 0 366.418 2.979 20 5 FFBDRO CC(C)O[C@H]1CCCN(CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)C1 ZINC000844718454 998091528 /nfs/dbraw/zinc/09/15/28/998091528.db2.gz VKZCVTIXHNOWQQ-HNNXBMFYSA-N 1 0 362.430 2.684 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])ncc1-n1cc(C[C@H](C)[NH3+])c2ccc(C)cc21 ZINC001171166153 998389727 /nfs/dbraw/zinc/38/97/27/998389727.db2.gz ALXBKQICYMEYAZ-LBPRGKRZSA-N 1 0 368.393 2.918 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(COC(=O)CC[C@H]2CCCC[N@@H+]2C)c1 ZINC000845165719 998392651 /nfs/dbraw/zinc/39/26/51/998392651.db2.gz SRDYYLYYOKVAHS-OAHLLOKOSA-N 1 0 364.398 2.689 20 5 FFBDRO Cc1c(CO)cc([N+](=O)[O-])c(NC[C@@H](C)C[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000732567538 998704576 /nfs/dbraw/zinc/70/45/76/998704576.db2.gz BFDRRNCYPCHWKF-GFCCVEGCSA-N 1 0 366.418 2.838 20 5 FFBDRO C[C@@H](OC(=O)CC[C@@H]1CCCC[N@@H+]1C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000803856271 1016245999 /nfs/dbraw/zinc/24/59/99/1016245999.db2.gz OCICYLSQOLAGDK-HIFRSBDPSA-N 1 0 363.414 2.730 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000803858856 1016247305 /nfs/dbraw/zinc/24/73/05/1016247305.db2.gz KAAYAFNFRFMAPT-AWEZNQCLSA-N 1 0 363.414 2.649 20 5 FFBDRO CCCc1n[nH]c(C(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)c1[N+](=O)[O-] ZINC000738522997 999626694 /nfs/dbraw/zinc/62/66/94/999626694.db2.gz NSROOSXUKNMDRL-UHFFFAOYSA-N 1 0 359.430 2.604 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2ncn(C[N@@H+]3CCCC4(CCOCC4)C3)n2)c1 ZINC000742159714 999762899 /nfs/dbraw/zinc/76/28/99/999762899.db2.gz UMZAMMKSGJPIKX-UHFFFAOYSA-N 1 0 357.414 2.703 20 5 FFBDRO C[NH+](C)CCN(C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)C1CCCCC1 ZINC000743638077 999827536 /nfs/dbraw/zinc/82/75/36/999827536.db2.gz ZXDPHRIJZJNFSQ-UHFFFAOYSA-N 1 0 373.457 2.667 20 5 FFBDRO CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]([NH2+][C@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@@H]2C1 ZINC001168965057 1000013350 /nfs/dbraw/zinc/01/33/50/1000013350.db2.gz XPMQAGBCWOINFC-OWYFMNJBSA-N 1 0 353.463 2.667 20 5 FFBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C2(c3cccc(Br)c3)COC2)C1 ZINC001168970683 1000013412 /nfs/dbraw/zinc/01/34/12/1000013412.db2.gz IIHPWJRHNXHBBS-RISCZKNCSA-N 1 0 355.232 2.710 20 5 FFBDRO COc1ccc(CN2CCC([NH2+][C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)cc1F ZINC001168992483 1000013794 /nfs/dbraw/zinc/01/37/94/1000013794.db2.gz KBGWODUDJFBUBF-RHSMWYFYSA-N 1 0 365.449 2.834 20 5 FFBDRO CNc1cc([N+](=O)[O-])cnc1-n1c(CCC[NH3+])nc2ccc(Cl)cc21 ZINC001168995306 1000013919 /nfs/dbraw/zinc/01/39/19/1000013919.db2.gz WZSJNZCORMMANE-UHFFFAOYSA-N 1 0 360.805 2.915 20 5 FFBDRO COc1cc(NC(=O)C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)cc2ccccc21 ZINC001169004957 1000014983 /nfs/dbraw/zinc/01/49/83/1000014983.db2.gz SROGNQZGEPBUEQ-DZGCQCFKSA-N 1 0 357.410 2.822 20 5 FFBDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C2(CC2)C1 ZINC001169004954 1000015128 /nfs/dbraw/zinc/01/51/28/1000015128.db2.gz SQNOIKUGMKBTQK-KFWWJZLASA-N 1 0 353.463 2.811 20 5 FFBDRO CC(C)(C)OC(=O)N1CCC12CC[NH+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169013460 1000015526 /nfs/dbraw/zinc/01/55/26/1000015526.db2.gz VLGXZPLSVKXKRW-HUUCEWRRSA-N 1 0 353.463 2.907 20 5 FFBDRO CC(C)(C)OC(=O)N1CCC2(CC[N@@H+]2[C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169011906 1000015616 /nfs/dbraw/zinc/01/56/16/1000015616.db2.gz NHCSVVAZHMBHEO-CABCVRRESA-N 1 0 353.463 2.907 20 5 FFBDRO Cc1cccc(N([C@@H]2CC[C@H](C[N+](=O)[O-])C2)[C@@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC001169018982 1000017284 /nfs/dbraw/zinc/01/72/84/1000017284.db2.gz FWWIXCIPXXQZNR-OJAHFUOMSA-N 1 0 359.470 2.768 20 5 FFBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2CCC[C@@]3(C[C@H](Oc4ccccn4)CO3)C2)C1 ZINC001169026964 1000018317 /nfs/dbraw/zinc/01/83/17/1000018317.db2.gz ZKMNCYJJLSMMCP-LSTDLKDCSA-N 1 0 361.442 2.529 20 5 FFBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCc3ncnc(-c4ccccc4)c3CC2)C1 ZINC001169024874 1000018321 /nfs/dbraw/zinc/01/83/21/1000018321.db2.gz RWTBWFNMDFWFFV-NVXWUHKLSA-N 1 0 352.438 2.990 20 5 FFBDRO CS(=O)(=O)c1cccc([C@@H]2CCC[N@@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)c1 ZINC001169046921 1000018358 /nfs/dbraw/zinc/01/83/58/1000018358.db2.gz OLCBYTPVVWIEOR-DJIMGWMZSA-N 1 0 366.483 2.715 20 5 FFBDRO CC[N@H+](C[C@@H]1CN(Cc2ccccc2)CCO1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169053546 1000019039 /nfs/dbraw/zinc/01/90/39/1000019039.db2.gz ILKDBAONGHNECZ-AQNXPRMDSA-N 1 0 361.486 2.655 20 5 FFBDRO COc1ccc2c(c1)c(CC[NH3+])c(C)n2-c1cc([N+](=O)[O-])c(OC)cn1 ZINC001169175446 1000030871 /nfs/dbraw/zinc/03/08/71/1000030871.db2.gz NCBIYLVTEDXTNA-UHFFFAOYSA-N 1 0 356.382 2.761 20 5 FFBDRO Nc1ccc(NCCC[NH+]2CCN(Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000804346056 1000095986 /nfs/dbraw/zinc/09/59/86/1000095986.db2.gz HWGVYUREGIDLCN-UHFFFAOYSA-N 1 0 369.469 2.797 20 5 FFBDRO COC1CC[NH+](C(C)(C)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC001147026747 1000815428 /nfs/dbraw/zinc/81/54/28/1000815428.db2.gz MBLUNHTZVLZFBR-UHFFFAOYSA-N 1 0 369.849 2.867 20 5 FFBDRO COC(=O)C[C@]1([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(C)C)CCCOC1 ZINC000770691981 1000889875 /nfs/dbraw/zinc/88/98/75/1000889875.db2.gz LWTHNMDJHHCNOT-GOSISDBHSA-N 1 0 366.414 2.584 20 5 FFBDRO O=C(Nc1cccnc1NC[C@@H]1CCCC[NH2+]1)c1ccccc1[N+](=O)[O-] ZINC001171329386 1001118101 /nfs/dbraw/zinc/11/81/01/1001118101.db2.gz YYHKNCUXJHZTAB-ZDUSSCGKSA-N 1 0 355.398 2.796 20 5 FFBDRO C/C(=C/C(=O)NC(C)(C)CC[NH+]1CCN(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000771663334 1001171743 /nfs/dbraw/zinc/17/17/43/1001171743.db2.gz MGZRWMQPFSSGET-NXVVXOECSA-N 1 0 374.485 2.530 20 5 FFBDRO Cc1ccc(NC(=O)[C@@H]([NH2+][C@H](CO)C2CC2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000771810198 1001214592 /nfs/dbraw/zinc/21/45/92/1001214592.db2.gz XRHBRIOCJNRTNC-MJGOQNOKSA-N 1 0 369.421 2.944 20 5 FFBDRO Cc1ccc(NC(=O)[C@@H]([NH2+][C@@H](CO)C2CC2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000771810194 1001215109 /nfs/dbraw/zinc/21/51/09/1001215109.db2.gz XRHBRIOCJNRTNC-HKUYNNGSSA-N 1 0 369.421 2.944 20 5 FFBDRO CC[NH+](CC)CC1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000746520245 1001249524 /nfs/dbraw/zinc/24/95/24/1001249524.db2.gz PZMPWCKNXXGEGH-UHFFFAOYSA-N 1 0 364.402 2.697 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)CN2CCC[C@H](Oc3ncccc3F)C2)cc1 ZINC000785841257 1001492196 /nfs/dbraw/zinc/49/21/96/1001492196.db2.gz QTPRTXSGJQCJGO-RDJZCZTQSA-N 1 0 361.373 2.706 20 5 FFBDRO Cc1cc(F)ccc1[C@H](O)C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000746658769 1001671423 /nfs/dbraw/zinc/67/14/23/1001671423.db2.gz RDGSQOJSKBTNLO-LJQANCHMSA-N 1 0 359.401 2.898 20 5 FFBDRO O=[N+]([O-])c1cccc([C@@H](O)CN2C[C@H]3CC[N@H+](Cc4ccccc4)[C@H]3C2)c1 ZINC001171361848 1001712859 /nfs/dbraw/zinc/71/28/59/1001712859.db2.gz KMJIAHZTLLHAGP-GIVPXCGWSA-N 1 0 367.449 2.835 20 5 FFBDRO Cc1c(CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)cccc1[N+](=O)[O-] ZINC000788469145 1001807445 /nfs/dbraw/zinc/80/74/45/1001807445.db2.gz NTVGKWYEVUOQEJ-WOJBJXKFSA-N 1 0 369.465 2.876 20 5 FFBDRO C[C@H]([NH2+]Cc1ccccc1N1CCOCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788570158 1001825870 /nfs/dbraw/zinc/82/58/70/1001825870.db2.gz IAWJSDMDQFNAKZ-AWEZNQCLSA-N 1 0 356.426 2.864 20 5 FFBDRO COc1c(O)ccc(C[NH2+]CC[C@H]2COc3ccccc3O2)c1[N+](=O)[O-] ZINC001182435088 1001867755 /nfs/dbraw/zinc/86/77/55/1001867755.db2.gz SWHQBLQFJXAONC-ZDUSSCGKSA-N 1 0 360.366 2.629 20 5 FFBDRO CN(C)c1cc(F)c(C(=O)NCCC[NH+]2CCCCCC2)cc1[N+](=O)[O-] ZINC000791301169 1002639169 /nfs/dbraw/zinc/63/91/69/1002639169.db2.gz MLHUMPMASLRPKN-UHFFFAOYSA-N 1 0 366.437 2.796 20 5 FFBDRO CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)O1 ZINC001170276355 1003085287 /nfs/dbraw/zinc/08/52/87/1003085287.db2.gz DEQXMXNVTFHXCN-MGPQQGTHSA-N 1 0 363.336 2.750 20 5 FFBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2nnc3c(C)cccn23)c([N+](=O)[O-])c1 ZINC001170298165 1003091355 /nfs/dbraw/zinc/09/13/55/1003091355.db2.gz HCWOBHPRHRRQON-CYBMUJFWSA-N 1 0 355.398 2.675 20 5 FFBDRO COc1ccc(C[C@H](C)[NH2+]Cc2ccc3nnc(C)n3c2)c([N+](=O)[O-])c1 ZINC001170326009 1003113328 /nfs/dbraw/zinc/11/33/28/1003113328.db2.gz CARRFMWQCCVGPD-LBPRGKRZSA-N 1 0 355.398 2.675 20 5 FFBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2ccc(-n3ccnn3)cc2)c([N+](=O)[O-])c1 ZINC001170326043 1003113812 /nfs/dbraw/zinc/11/38/12/1003113812.db2.gz COWXOSDBVXQLCG-CQSZACIVSA-N 1 0 367.409 2.905 20 5 FFBDRO CCOC(=O)c1ccnc(C[NH2+][C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])c1 ZINC001170307559 1003120088 /nfs/dbraw/zinc/12/00/88/1003120088.db2.gz HLQGWRQTXIDKJN-ZDUSSCGKSA-N 1 0 373.409 2.896 20 5 FFBDRO C[N@@H+]1C[C@@H]2CCN(c3ccc(C(=O)c4ccccc4)cc3[N+](=O)[O-])[C@@H]2C1 ZINC001186571358 1003347899 /nfs/dbraw/zinc/34/78/99/1003347899.db2.gz IGQQDROIGDIOFU-QFBILLFUSA-N 1 0 351.406 2.966 20 5 FFBDRO COC(=O)N1CCC(CNc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000804821757 1003863215 /nfs/dbraw/zinc/86/32/15/1003863215.db2.gz DFJIFTPTDHRSHT-UHFFFAOYSA-N 1 0 358.398 2.764 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@]1(C)C[NH+]2CCC1CC2 ZINC001130798608 1004478387 /nfs/dbraw/zinc/47/83/87/1004478387.db2.gz HOYHPPQLZSLMNC-GTNSWQLSSA-N 1 0 367.833 2.616 20 5 FFBDRO O=[N+]([O-])c1cc(S(=O)(=O)NC[C@H]2CC[N@@H+]2C2CCCCCC2)cs1 ZINC001193800396 1004585772 /nfs/dbraw/zinc/58/57/72/1004585772.db2.gz PSLPRAMKSYYUMX-CYBMUJFWSA-N 1 0 373.500 2.732 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+]C1([C@@H]2CCCO2)CCC1 ZINC001198717412 1004725895 /nfs/dbraw/zinc/72/58/95/1004725895.db2.gz FOINRUDAJKRBPU-INIZCTEOSA-N 1 0 363.414 2.623 20 5 FFBDRO C[N@H+](Cc1ccccc1)Cc1ccccc1CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001050244677 1016930390 /nfs/dbraw/zinc/93/03/90/1016930390.db2.gz SAHINPXJWWWOPC-RTBURBONSA-N 1 0 353.422 2.600 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H]3COC4(CCOCC4)O3)o2)cc1 ZINC001201676942 1005247955 /nfs/dbraw/zinc/24/79/55/1005247955.db2.gz VWGOMKURXPUWFA-KRWDZBQOSA-N 1 0 374.393 2.867 20 5 FFBDRO Cc1cc(C)cc(C[NH2+]C[C@H]2CC[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 ZINC001050325725 1016967928 /nfs/dbraw/zinc/96/79/28/1016967928.db2.gz LKSRBHPQIUHDHZ-NXWXRZEISA-N 1 0 359.470 2.733 20 5 FFBDRO Cc1cccc(C)c1C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001050325459 1016969130 /nfs/dbraw/zinc/96/91/30/1016969130.db2.gz FGJLVSRKAKNZGW-YWTNHNAXSA-N 1 0 359.470 2.733 20 5 FFBDRO C[NH+](C)CCOc1ccc(/C=C\C(=O)NCc2ccccc2[N+](=O)[O-])cc1 ZINC000776431112 1005670313 /nfs/dbraw/zinc/67/03/13/1005670313.db2.gz PRUSOSGZZBJPNA-XFXZXTDPSA-N 1 0 369.421 2.865 20 5 FFBDRO COc1cc(C[NH2+]C[C@H](O)c2cc(F)c(F)c(F)c2)c([N+](=O)[O-])cc1O ZINC000850419630 1005814457 /nfs/dbraw/zinc/81/44/57/1005814457.db2.gz XTZBGTCNMJVGCC-AWEZNQCLSA-N 1 0 372.299 2.550 20 5 FFBDRO C[C@@H]([NH2+]Cc1ccc(N2CCCNC2=O)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850575751 1005823247 /nfs/dbraw/zinc/82/32/47/1005823247.db2.gz ZOBWLJKPVUWQNS-CYBMUJFWSA-N 1 0 369.425 2.948 20 5 FFBDRO COc1cc2c(cc1OC)CC[NH+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000776577889 1005957049 /nfs/dbraw/zinc/95/70/49/1005957049.db2.gz ABPRVAFURNVOCY-GOSISDBHSA-N 1 0 372.421 2.746 20 5 FFBDRO COCC[N@@H+](Cc1ccc2c(c1)OCO2)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776581305 1005961099 /nfs/dbraw/zinc/96/10/99/1005961099.db2.gz BWDXSXRBNXBCFP-QGZVFWFLSA-N 1 0 374.393 2.506 20 5 FFBDRO O=[N+]([O-])c1cnc2ccccc2c1NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000813584496 1005980081 /nfs/dbraw/zinc/98/00/81/1005980081.db2.gz GWJQIVLPYFYGEW-OAHLLOKOSA-N 1 0 356.426 2.620 20 5 FFBDRO C[C@H]1CN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCN1C(=O)OC(C)(C)C ZINC000776591379 1005985639 /nfs/dbraw/zinc/98/56/39/1005985639.db2.gz LTYLUEWPJKEXFO-BBRMVZONSA-N 1 0 365.430 2.569 20 5 FFBDRO C[N@H+](CCc1ccccc1)[C@H]1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000852514974 1006061139 /nfs/dbraw/zinc/06/11/39/1006061139.db2.gz NIYWCCYIXXLQLR-LEWJYISDSA-N 1 0 369.465 2.877 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CC[NH2+][C@H](c3ccc(O)cc3)C2)c2ccncc21 ZINC001187497151 1006117772 /nfs/dbraw/zinc/11/77/72/1006117772.db2.gz MDARDEOBIWUBCE-KRWDZBQOSA-N 1 0 350.378 3.000 20 5 FFBDRO CC[NH+]1CCN(c2ccc(Nc3ccc([N+](=O)[O-])c(C(N)=O)c3)cc2)CC1 ZINC000853091476 1006293368 /nfs/dbraw/zinc/29/33/68/1006293368.db2.gz KIZKAQPUOAEQEO-UHFFFAOYSA-N 1 0 369.425 2.579 20 5 FFBDRO COc1cc(N2CCC(CC[NH+]3CCOCC3)CC2)c([N+](=O)[O-])cc1C ZINC000853242925 1006348339 /nfs/dbraw/zinc/34/83/39/1006348339.db2.gz ZRAWLIUPUXZQKC-UHFFFAOYSA-N 1 0 363.458 2.851 20 5 FFBDRO CC1([NH+]2CCC2)CCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000882503702 1006414990 /nfs/dbraw/zinc/41/49/90/1006414990.db2.gz VZHRJBHUSGXPTH-UHFFFAOYSA-N 1 0 356.426 2.636 20 5 FFBDRO CC1([NH+]2CCC2)CCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000882507199 1006416656 /nfs/dbraw/zinc/41/66/56/1006416656.db2.gz JPETWKRTSALCPL-UHFFFAOYSA-N 1 0 370.409 2.549 20 5 FFBDRO O=C1c2ccccc2C(=O)N1CCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000111394101 1006427431 /nfs/dbraw/zinc/42/74/31/1006427431.db2.gz NJOJXTCLEUSWMS-UHFFFAOYSA-N 1 0 353.378 2.761 20 5 FFBDRO CCC(=O)c1ccc(N2CCC[C@H]([NH2+]C3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000882726421 1006489833 /nfs/dbraw/zinc/48/98/33/1006489833.db2.gz UBHQVGQEKOVRQM-INIZCTEOSA-N 1 0 361.442 2.925 20 5 FFBDRO O=C(CC[N@@H+]1CCOC[C@@H]1CC1CCC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000815293121 1006567726 /nfs/dbraw/zinc/56/77/26/1006567726.db2.gz XEOHAAIIXNGSJF-HNNXBMFYSA-N 1 0 365.405 2.954 20 5 FFBDRO CC1([NH+]2CCC2)CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)CC1 ZINC000882961471 1006578212 /nfs/dbraw/zinc/57/82/12/1006578212.db2.gz OFWPXGMBVVWARJ-UHFFFAOYSA-N 1 0 358.442 2.552 20 5 FFBDRO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)[C@H]2C1 ZINC001135059705 1006659640 /nfs/dbraw/zinc/65/96/40/1006659640.db2.gz OGWVPHGZKNTZTA-HERUPUMHSA-N 1 0 357.332 2.684 20 5 FFBDRO COc1cccc([C@H]2C[NH2+]CCN2C(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000883521267 1006833487 /nfs/dbraw/zinc/83/34/87/1006833487.db2.gz AMHNBBFFFYSRLP-QGZVFWFLSA-N 1 0 356.382 2.782 20 5 FFBDRO C[C@@H](NC(=O)N1CCN(c2cc[nH+]cc2)[C@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000883553388 1006860070 /nfs/dbraw/zinc/86/00/70/1006860070.db2.gz RNIUMBTVSIPCST-HUUCEWRRSA-N 1 0 369.425 2.971 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC001189253714 1006975665 /nfs/dbraw/zinc/97/56/65/1006975665.db2.gz OXGOZMKJXZWKEB-DOMZBBRYSA-N 1 0 369.487 2.610 20 5 FFBDRO C[C@@H](NC(=O)[C@H]([NH3+])Cc1c[nH]c2ccccc12)c1cccc([N+](=O)[O-])c1 ZINC000884077957 1007220880 /nfs/dbraw/zinc/22/08/80/1007220880.db2.gz CEPADDMLSTUZKZ-SJKOYZFVSA-N 1 0 352.394 2.823 20 5 FFBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)CC1 ZINC000816952852 1007275206 /nfs/dbraw/zinc/27/52/06/1007275206.db2.gz SVZIEHXBSJQYPX-HNAYVOBHSA-N 1 0 372.469 2.607 20 5 FFBDRO CCOC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000776810122 1007310819 /nfs/dbraw/zinc/31/08/19/1007310819.db2.gz WPSYDNLXOVVPNL-DZGCQCFKSA-N 1 0 365.430 2.950 20 5 FFBDRO CC(C)(O)c1ccc(C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 ZINC000775329834 1007321177 /nfs/dbraw/zinc/32/11/77/1007321177.db2.gz RRNOCJVIVYVSIS-UHFFFAOYSA-N 1 0 358.394 2.883 20 5 FFBDRO CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+]CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000776822801 1007460362 /nfs/dbraw/zinc/46/03/62/1007460362.db2.gz KTZWYQNQLRAVIZ-GJZGRUSLSA-N 1 0 365.430 2.820 20 5 FFBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000856354738 1007784378 /nfs/dbraw/zinc/78/43/78/1007784378.db2.gz KOCMPWLHJZJMFX-HNNXBMFYSA-N 1 0 373.384 2.503 20 5 FFBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000856356142 1007785100 /nfs/dbraw/zinc/78/51/00/1007785100.db2.gz YCYVFFZHWLNIBQ-SCEWNMGZSA-N 1 0 351.406 2.999 20 5 FFBDRO C[C@@H]([NH3+])c1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000817906285 1007807305 /nfs/dbraw/zinc/80/73/05/1007807305.db2.gz WOCXKZMGKQWYHF-CQSZACIVSA-N 1 0 354.410 2.577 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000885880200 1007819218 /nfs/dbraw/zinc/81/92/18/1007819218.db2.gz ODIAPHIFMJJZJX-INIZCTEOSA-N 1 0 361.442 2.503 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N3CC[C@@]4(CCC[NH2+]4)C3)cc2[N+](=O)[O-])CC1 ZINC000818014922 1007855240 /nfs/dbraw/zinc/85/52/40/1007855240.db2.gz CSWAJOAKSHRDBN-FQEVSTJZSA-N 1 0 372.469 2.799 20 5 FFBDRO COc1ccc(CC(=O)Nc2ccc3c(c2F)CC[NH2+]C3)cc1[N+](=O)[O-] ZINC000818593597 1007961993 /nfs/dbraw/zinc/96/19/93/1007961993.db2.gz DNJCUZNTAPVXAD-UHFFFAOYSA-N 1 0 359.357 2.569 20 5 FFBDRO Cn1nccc1[C@H](O)C1CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000856801316 1007980253 /nfs/dbraw/zinc/98/02/53/1007980253.db2.gz NWGYENJIEUPAJH-LJQANCHMSA-N 1 0 374.441 2.543 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]Cc2cccnc2OCC(F)(F)F)c1 ZINC000818953236 1007991941 /nfs/dbraw/zinc/99/19/41/1007991941.db2.gz JJFXXROFNDMCKE-CQSZACIVSA-N 1 0 371.315 2.754 20 5 FFBDRO COc1cccc(N2CC[C@H]([NH2+]C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)c1 ZINC000819012558 1007999308 /nfs/dbraw/zinc/99/93/08/1007999308.db2.gz KUFYSDFLAVPSLW-HNAYVOBHSA-N 1 0 357.410 2.505 20 5 FFBDRO CC(C)(C)OC(=O)N1CCC[C@H]1C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819039026 1008015342 /nfs/dbraw/zinc/01/53/42/1008015342.db2.gz NYMHVXIDPBIDPC-JKSUJKDBSA-N 1 0 365.430 2.617 20 5 FFBDRO Cc1ccc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)c(O[C@H]2CCOC2)c1 ZINC000819153526 1008045508 /nfs/dbraw/zinc/04/55/08/1008045508.db2.gz HCRUHTNUSTXBAB-RBUKOAKNSA-N 1 0 372.421 2.894 20 5 FFBDRO C[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CN1Cc1ccccc1 ZINC000819154892 1008045560 /nfs/dbraw/zinc/04/55/60/1008045560.db2.gz RTEJYDAGCKFCDC-ZTNFWEORSA-N 1 0 355.438 2.881 20 5 FFBDRO O=C(Nc1ccccc1)N1CC[C@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000819293693 1008085920 /nfs/dbraw/zinc/08/59/20/1008085920.db2.gz FFKINWLHHKSPDM-FUHWJXTLSA-N 1 0 370.409 2.524 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@H]2CCN(c3ccccc3F)C2)cc1 ZINC000819327204 1008099834 /nfs/dbraw/zinc/09/98/34/1008099834.db2.gz ZCFPOGKYPHRHME-AUUYWEPGSA-N 1 0 359.401 2.883 20 5 FFBDRO C[NH+](C)CCOc1ccc(NC[C@H](O)c2cccc([N+](=O)[O-])c2)cc1F ZINC000819492142 1008154978 /nfs/dbraw/zinc/15/49/78/1008154978.db2.gz XCFDZYVCSFBSOP-KRWDZBQOSA-N 1 0 363.389 2.820 20 5 FFBDRO C[C@@H]1C[N@@H+](CCCNC(=O)c2cc([N+](=O)[O-])cc3ccccc32)C[C@H](C)O1 ZINC000858238528 1008330463 /nfs/dbraw/zinc/33/04/63/1008330463.db2.gz KOGXKZDKVMFENN-GASCZTMLSA-N 1 0 371.437 2.977 20 5 FFBDRO Nc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001136452013 1008468994 /nfs/dbraw/zinc/46/89/94/1008468994.db2.gz MEOWAPRSGCOETE-INIZCTEOSA-N 1 0 368.437 2.819 20 5 FFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N(CCC[NH2+]Cc1ccsc1)CC1CCCC1 ZINC001177314072 1008559873 /nfs/dbraw/zinc/55/98/73/1008559873.db2.gz ZLEZFDXHBUDKHQ-IAGOWNOFSA-N 1 0 365.499 2.912 20 5 FFBDRO Cc1nc([N+](=O)[O-])c(-c2noc(C(C)(C)[C@H]([NH3+])c3ccccc3)n2)n1C ZINC000823093600 1008897168 /nfs/dbraw/zinc/89/71/68/1008897168.db2.gz FPTHQOSJDNVIIX-CYBMUJFWSA-N 1 0 356.386 2.664 20 5 FFBDRO COC[C@@H]([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CCCOC1 ZINC000886913799 1008932947 /nfs/dbraw/zinc/93/29/47/1008932947.db2.gz KJDKZTPLCFOFRI-RHSMWYFYSA-N 1 0 361.398 2.781 20 5 FFBDRO O=C(NCCCCCC[NH2+]Cc1ccc2cc[nH]c2c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001178463978 1008998980 /nfs/dbraw/zinc/99/89/80/1008998980.db2.gz PGLGOANAZJUSCN-SJLPKXTDSA-N 1 0 358.442 2.599 20 5 FFBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000130430571 1009335818 /nfs/dbraw/zinc/33/58/18/1009335818.db2.gz ZEHFIHOKXNILKT-AWEZNQCLSA-N 1 0 356.426 2.993 20 5 FFBDRO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2C(=O)[C@@H](O)C(C)C ZINC001179606590 1009377393 /nfs/dbraw/zinc/37/73/93/1009377393.db2.gz PHRICVXNVNYHKA-IBGZPJMESA-N 1 0 353.422 2.912 20 5 FFBDRO C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000861825788 1009574155 /nfs/dbraw/zinc/57/41/55/1009574155.db2.gz YLUHYBVXRWERTG-RTBURBONSA-N 1 0 369.421 2.683 20 5 FFBDRO [NH3+]C[C@H]1COc2ccccc2N1c1ncnc2cc(F)c([N+](=O)[O-])cc21 ZINC001171394510 1009737440 /nfs/dbraw/zinc/73/74/40/1009737440.db2.gz YEWHVMSVZSFKBY-JTQLQIEISA-N 1 0 355.329 2.535 20 5 FFBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000862631807 1009910520 /nfs/dbraw/zinc/91/05/20/1009910520.db2.gz VTTPFVPFLPRDRA-MRXNPFEDSA-N 1 0 360.458 2.798 20 5 FFBDRO C[C@H](CCN1C(=O)N[C@](C)(c2cccc([N+](=O)[O-])c2)C1=O)[NH+]1CCCCC1 ZINC000863506991 1010232130 /nfs/dbraw/zinc/23/21/30/1010232130.db2.gz MCIUMLYEYBBBLB-AUUYWEPGSA-N 1 0 374.441 2.626 20 5 FFBDRO CCO[C@@H]1C[C@@H](N(C)Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C12CCC2 ZINC000794632233 1010448512 /nfs/dbraw/zinc/44/85/12/1010448512.db2.gz GQSZZWSTSYOCOK-HUUCEWRRSA-N 1 0 361.398 2.740 20 5 FFBDRO CN(CC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)C(=O)OC(C)(C)C ZINC000774168030 1010498328 /nfs/dbraw/zinc/49/83/28/1010498328.db2.gz FKZLJYPEORUNIX-UONOGXRCSA-N 1 0 367.450 2.732 20 5 FFBDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(c2cc(F)c([N+](=O)[O-])cc2CO)C1 ZINC000865564383 1010818040 /nfs/dbraw/zinc/81/80/40/1010818040.db2.gz BWHLDUMUFOIIMV-INIZCTEOSA-N 1 0 359.401 2.937 20 5 FFBDRO C[C@H]1CN(c2ccc([N+](=O)[O-])cc2C(F)F)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000865648982 1010836162 /nfs/dbraw/zinc/83/61/62/1010836162.db2.gz LOASHKCXFAHNBL-BBRMVZONSA-N 1 0 368.428 2.995 20 5 FFBDRO COc1cc(C[NH2+]CCc2cn(C)c3ncccc23)c([N+](=O)[O-])cc1OC ZINC000865811800 1010867493 /nfs/dbraw/zinc/86/74/93/1010867493.db2.gz DXMKHMHJKHFHCH-UHFFFAOYSA-N 1 0 370.409 2.831 20 5 FFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1CCCN(c2ncccn2)C1 ZINC000866238669 1010959368 /nfs/dbraw/zinc/95/93/68/1010959368.db2.gz QSIOVQISKKNQPC-BBRMVZONSA-N 1 0 359.405 2.714 20 5 FFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C1CCN(C[C@H]2CCCO2)CC1 ZINC000866266894 1010966868 /nfs/dbraw/zinc/96/68/68/1010966868.db2.gz UBMZXWNHDVMVLB-RDTXWAMCSA-N 1 0 365.449 2.898 20 5 FFBDRO O=C(Cc1cccc(F)c1[N+](=O)[O-])NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000869306182 1011719116 /nfs/dbraw/zinc/71/91/16/1011719116.db2.gz FHXMMKXJKQXYQM-MRXNPFEDSA-N 1 0 357.385 2.667 20 5 FFBDRO C[N@@H+]1CC[C@@H](NC(=O)Cc2cccc(F)c2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000867031704 1011926338 /nfs/dbraw/zinc/92/63/38/1011926338.db2.gz VRPFWCVPEUYINF-VQIMIIECSA-N 1 0 357.385 2.838 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]C[C@@H](O)COc1ccccc1)CC2 ZINC001172898061 1012072939 /nfs/dbraw/zinc/07/29/39/1012072939.db2.gz FXYVEKJRJINKMR-PKOBYXMFSA-N 1 0 356.422 2.872 20 5 FFBDRO O=C1NCc2ccc(C[NH2+][C@@H]3CCc4ccc([N+](=O)[O-])cc4CC3)cc21 ZINC001172904741 1012077643 /nfs/dbraw/zinc/07/76/43/1012077643.db2.gz AEZNNFPMXUBEMJ-QGZVFWFLSA-N 1 0 351.406 2.875 20 5 FFBDRO [NH3+]C[C@H](CO)c1ccc(N[C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)cc1 ZINC001172907945 1012080365 /nfs/dbraw/zinc/08/03/65/1012080365.db2.gz JUBHRFLGIRZPIX-MJGOQNOKSA-N 1 0 355.438 2.989 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CC[C@@H](Oc3ncc(F)cn3)C1)CC2 ZINC001172913083 1012125988 /nfs/dbraw/zinc/12/59/88/1012125988.db2.gz OTLFKBLWCWFPRJ-SJLPKXTDSA-N 1 0 372.400 2.925 20 5 FFBDRO CC1(C)[C@H](O)C[C@@H]1[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173008825 1012176175 /nfs/dbraw/zinc/17/61/75/1012176175.db2.gz GYJJZMQRUIPWJS-LSDHHAIUSA-N 1 0 355.385 2.591 20 5 FFBDRO O=C1CCCC[C@H]1[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173008290 1012176672 /nfs/dbraw/zinc/17/66/72/1012176672.db2.gz RVACJTOGHYDHRU-OAHLLOKOSA-N 1 0 353.369 2.943 20 5 FFBDRO C[C@@]1(O)C[C@H](C[NH2+]C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)C1 ZINC001173010276 1012179716 /nfs/dbraw/zinc/17/97/16/1012179716.db2.gz DRHOXDMFXCAWAI-OYHSWFHJSA-N 1 0 355.385 2.592 20 5 FFBDRO C[C@@H]1CC[N@@H+](C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)C[C@@H]1O ZINC001173010655 1012181218 /nfs/dbraw/zinc/18/12/18/1012181218.db2.gz WWZHFOABPMFHFF-BZNIZROVSA-N 1 0 355.385 2.545 20 5 FFBDRO C[C@@H]1C[N@@H+](C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)[C@@H](C)CO1 ZINC001173016238 1012187681 /nfs/dbraw/zinc/18/76/81/1012187681.db2.gz AIDKCMQEXQWAPW-NWDGAFQWSA-N 1 0 355.385 2.951 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]Cc2c(C)nn(C)c2C)c1F ZINC001173177242 1012319439 /nfs/dbraw/zinc/31/94/39/1012319439.db2.gz RYNFXYQYFHDOQB-JTQLQIEISA-N 1 0 350.394 2.814 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CCC(=O)NC2CCCC2)c1F ZINC001173175126 1012319628 /nfs/dbraw/zinc/31/96/28/1012319628.db2.gz AFTJUPRAUUJERQ-LBPRGKRZSA-N 1 0 367.421 2.712 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CCC(=O)NC(C)(C)C)c1F ZINC001173178547 1012321899 /nfs/dbraw/zinc/32/18/99/1012321899.db2.gz CCHFPQXYQBVQAZ-LLVKDONJSA-N 1 0 355.410 2.568 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@@H]2Cc3ccccc3NC2=O)c1F ZINC001173180009 1012324550 /nfs/dbraw/zinc/32/45/50/1012324550.db2.gz RYSYMEOIDBASPW-XHDPSFHLSA-N 1 0 373.384 2.827 20 5 FFBDRO COC(=O)CC1CC(C[NH2+][C@@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C1 ZINC001173187295 1012328398 /nfs/dbraw/zinc/32/83/98/1012328398.db2.gz YONPXCUDCLYAFV-HIFPTAJRSA-N 1 0 368.405 2.852 20 5 FFBDRO CCC(=O)NC1CC[NH+]([C@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])CC1 ZINC001173188836 1012329403 /nfs/dbraw/zinc/32/94/03/1012329403.db2.gz HGRWBSPHQUBBLU-GFCCVEGCSA-N 1 0 367.421 2.664 20 5 FFBDRO CCOC(=O)C(C)(C)C[NH2+][C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173184279 1012329491 /nfs/dbraw/zinc/32/94/91/1012329491.db2.gz POFWPDJASIJXEP-LLVKDONJSA-N 1 0 356.394 2.852 20 5 FFBDRO COC(=O)[C@@H]1C[N@@H+]([C@@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])CC12CC2 ZINC001173191621 1012331129 /nfs/dbraw/zinc/33/11/29/1012331129.db2.gz DVVJDUONKJPEBD-AAEUAGOBSA-N 1 0 366.389 2.559 20 5 FFBDRO COC(=O)[C@@H]1C[C@H]([NH2+][C@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C1(C)C ZINC001173190401 1012333212 /nfs/dbraw/zinc/33/32/12/1012333212.db2.gz XGIKWPCNWAMTPK-GMXABZIVSA-N 1 0 368.405 2.851 20 5 FFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@H]2CCN(c3ncccn3)C[C@H]2C1 ZINC001173223848 1012357661 /nfs/dbraw/zinc/35/76/61/1012357661.db2.gz IEZPDWCONSVEDM-NXHRZFHOSA-N 1 0 367.453 2.774 20 5 FFBDRO CCOCc1nnn2c1C[N@@H+]([C@H](C)Cc1ccc([N+](=O)[O-])cc1)CCC2 ZINC001173229509 1012363179 /nfs/dbraw/zinc/36/31/79/1012363179.db2.gz XCYQBRYPZPYGPS-CQSZACIVSA-N 1 0 359.430 2.560 20 5 FFBDRO Cc1nn(CN2CC[N@@H+](C)C[C@H]2c2ccccc2)c2ncc([N+](=O)[O-])cc12 ZINC000748449969 1017240369 /nfs/dbraw/zinc/24/03/69/1017240369.db2.gz PBGLYCSHCFWLMZ-SFHVURJKSA-N 1 0 366.425 2.594 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@@H]2CCC3(CCOCC3)O2)n1 ZINC000927014752 1018326382 /nfs/dbraw/zinc/32/63/82/1018326382.db2.gz PEJUISUPQHNPJF-HRCADAONSA-N 1 0 364.446 2.593 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ccc(-c3cc(CCN4CC[NH2+]CC4)on3)o2)cc1 ZINC000901398330 1019042703 /nfs/dbraw/zinc/04/27/03/1019042703.db2.gz OYLUPDUIFATXHC-UHFFFAOYSA-N 1 0 368.393 2.958 20 5 FFBDRO O=[N+]([O-])CCN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000929845955 1019687744 /nfs/dbraw/zinc/68/77/44/1019687744.db2.gz NCWNELZYAXLDMP-UHFFFAOYSA-N 1 0 369.465 2.687 20 5 FFBDRO C[C@@H](NC(=O)C1CCC([NH+]2CCOCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000900268010 1020318511 /nfs/dbraw/zinc/31/85/11/1020318511.db2.gz LRLQSAUMGZRLCG-HPUBIQBYSA-N 1 0 361.442 2.663 20 5 FFBDRO O=[N+]([O-])c1cc(O[C@H]2C[NH2+]CCC[C@@H]2F)c(Br)cc1F ZINC001217971428 1032924709 /nfs/dbraw/zinc/92/47/09/1032924709.db2.gz IBMRJVMYWHBCMR-UFBFGSQYSA-N 1 0 351.147 2.965 20 5 FFBDRO O=[N+]([O-])c1ccc(I)c(O[C@H]2CCCC[NH2+]C2)c1 ZINC001217972395 1032927699 /nfs/dbraw/zinc/92/76/99/1032927699.db2.gz DVVWBGJWHBFESR-JTQLQIEISA-N 1 0 362.167 2.720 20 5 FFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC1(O)CCC2(CC1)OCCO2 ZINC000903374901 1020812022 /nfs/dbraw/zinc/81/20/22/1020812022.db2.gz OUDWWOHMFHMUCQ-OAHLLOKOSA-N 1 0 364.442 2.554 20 5 FFBDRO O=[N+]([O-])c1ccc(F)c(Br)c1O[C@H]1C[NH2+]CCC[C@H]1F ZINC001217984416 1032933508 /nfs/dbraw/zinc/93/35/08/1032933508.db2.gz ZPOLHEFXHHCDDE-XCBNKYQSSA-N 1 0 351.147 2.965 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(Br)c(O[C@H]2C[NH2+]CCC[C@@H]2F)c1 ZINC001217989297 1032936905 /nfs/dbraw/zinc/93/69/05/1032936905.db2.gz ZWFCKFSRWGILIW-KWQFWETISA-N 1 0 351.147 2.965 20 5 FFBDRO Cc1ccc(C(=O)c2cc(O)c(O[C@@H]3C[NH2+]C[C@@H]3F)c([N+](=O)[O-])c2)cc1 ZINC001217998514 1032941936 /nfs/dbraw/zinc/94/19/36/1032941936.db2.gz UBWWWGHTLZCKBA-XJKSGUPXSA-N 1 0 360.341 2.529 20 5 FFBDRO C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)c1ccc(N)c([N+](=O)[O-])c1)C1CC1 ZINC000187462085 1021098543 /nfs/dbraw/zinc/09/85/43/1021098543.db2.gz FQUAUXIQMQTNHE-IBGZPJMESA-N 1 0 368.437 2.817 20 5 FFBDRO C[N@H+](Cc1ccccc1)[C@H](CNC(=O)c1ccc(N)c([N+](=O)[O-])c1)C1CC1 ZINC000187462105 1021098592 /nfs/dbraw/zinc/09/85/92/1021098592.db2.gz FQUAUXIQMQTNHE-LJQANCHMSA-N 1 0 368.437 2.817 20 5 FFBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000933944552 1021118639 /nfs/dbraw/zinc/11/86/39/1021118639.db2.gz HWNPLBRVASAECB-KFKAGJAMSA-N 1 0 357.454 2.889 20 5 FFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C2(c3ccc4c(c3)OCCO4)CC2)c1 ZINC000933998873 1021126310 /nfs/dbraw/zinc/12/63/10/1021126310.db2.gz FCHVBPSFOQXSFL-INIZCTEOSA-N 1 0 356.378 2.678 20 5 FFBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)c1 ZINC000934268178 1021182384 /nfs/dbraw/zinc/18/23/84/1021182384.db2.gz HUPNVVBJILCONI-HZPDHXFCSA-N 1 0 373.375 2.645 20 5 FFBDRO Cc1cn(C[NH+]2C[C@H]3CCCC[C@@H]3C2)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000749978704 1021186017 /nfs/dbraw/zinc/18/60/17/1021186017.db2.gz VWJMBMUDSLJUHS-HZPDHXFCSA-N 1 0 356.426 2.935 20 5 FFBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)c1ccn(-c2cc[nH+]cc2)n1 ZINC001116781672 1021413122 /nfs/dbraw/zinc/41/31/22/1021413122.db2.gz OTJYYLYTLZPTLT-UHFFFAOYSA-N 1 0 357.757 2.759 20 5 FFBDRO O=[N+]([O-])c1c2c(cc(Br)c1O[C@H]1CC[NH2+]C[C@@H]1F)CCC2 ZINC001218071408 1032979566 /nfs/dbraw/zinc/97/95/66/1032979566.db2.gz PIDLFENLDMDATB-RYUDHWBXSA-N 1 0 359.195 2.925 20 5 FFBDRO O=[N+]([O-])c1c(I)cccc1O[C@H]1CC[C@@]12CC[NH2+]C2 ZINC001218117790 1033006034 /nfs/dbraw/zinc/00/60/34/1033006034.db2.gz MPXUKAYLUXAMCF-AAEUAGOBSA-N 1 0 374.178 2.720 20 5 FFBDRO O=[N+]([O-])c1ccc(I)cc1O[C@@H]1CC[C@]12CC[NH2+]C2 ZINC001218120722 1033007978 /nfs/dbraw/zinc/00/79/78/1033007978.db2.gz WNKOGKZETAKTBM-CHWSQXEVSA-N 1 0 374.178 2.720 20 5 FFBDRO COC(=O)[C@H](C)CN(Cc1ccccc1)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000158573976 1022541085 /nfs/dbraw/zinc/54/10/85/1022541085.db2.gz MHXPEXYGJWZGDY-CYBMUJFWSA-N 1 0 360.414 2.677 20 5 FFBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CC[NH2+]CCC12CCC2 ZINC001119370213 1022712322 /nfs/dbraw/zinc/71/23/22/1022712322.db2.gz JZIJIBRFAJXMMA-UHFFFAOYSA-N 1 0 355.797 2.674 20 5 FFBDRO O=C(NCc1ccc(Br)cc1[N+](=O)[O-])[C@H]1CCCCC[NH2+]1 ZINC001119374757 1022717130 /nfs/dbraw/zinc/71/71/30/1022717130.db2.gz ICTUFIHYRDEXDC-GFCCVEGCSA-N 1 0 356.220 2.506 20 5 FFBDRO O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001119387012 1022731034 /nfs/dbraw/zinc/73/10/34/1022731034.db2.gz ZXXAZTLBTWBSLJ-ZDUSSCGKSA-N 1 0 350.394 2.977 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC([N@H+]3CCOC[C@@H]3C)CC2)c1C ZINC001119473781 1022795181 /nfs/dbraw/zinc/79/51/81/1022795181.db2.gz XICBKVRUAURXMD-AWEZNQCLSA-N 1 0 361.442 2.537 20 5 FFBDRO C/C(=C/C(=O)NCC1([NH+]2CCCC2)CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000752027534 1023028040 /nfs/dbraw/zinc/02/80/40/1023028040.db2.gz CQDITKLZCKXHNT-PEZBUJJGSA-N 1 0 373.453 2.759 20 5 FFBDRO CCC(=O)[C@H]1C[C@@H](Oc2c(C)cc(Br)cc2[N+](=O)[O-])C[NH2+]1 ZINC001218327344 1033109444 /nfs/dbraw/zinc/10/94/44/1033109444.db2.gz LGUJBJBJHHPZJS-GHMZBOCLSA-N 1 0 357.204 2.754 20 5 FFBDRO [NH3+]CC1([C@H]2CCCCN2C(=O)COc2ccc([N+](=O)[O-])c(F)c2)CCC1 ZINC001122279486 1023163577 /nfs/dbraw/zinc/16/35/77/1023163577.db2.gz UIMLCSIDQSHSJA-MRXNPFEDSA-N 1 0 365.405 2.623 20 5 FFBDRO C[C@H]1CC[C@@H](Oc2ccc(I)c([N+](=O)[O-])c2)C[NH2+]1 ZINC001218397592 1033138149 /nfs/dbraw/zinc/13/81/49/1033138149.db2.gz FDCYHSBAEZUBIQ-WCBMZHEXSA-N 1 0 362.167 2.719 20 5 FFBDRO C[C@H]1C[NH2+]CC[C@H]1Oc1cc(I)ccc1[N+](=O)[O-] ZINC001218417331 1033145960 /nfs/dbraw/zinc/14/59/60/1033145960.db2.gz VPOGPAUKODUNBN-GZMMTYOYSA-N 1 0 362.167 2.576 20 5 FFBDRO O=C(O[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1)[C@@H]1C[C@H]1c1ccncc1 ZINC001122950945 1023570722 /nfs/dbraw/zinc/57/07/22/1023570722.db2.gz ABNDOIAIHOUKCT-GBESFXJTSA-N 1 0 367.405 2.911 20 5 FFBDRO C[C@H]1CC[C@@H](Oc2cc(I)ccc2[N+](=O)[O-])C[NH2+]1 ZINC001218407986 1033142290 /nfs/dbraw/zinc/14/22/90/1033142290.db2.gz SGVMUHAIRHEJPM-WCBMZHEXSA-N 1 0 362.167 2.719 20 5 FFBDRO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000755192820 1023576566 /nfs/dbraw/zinc/57/65/66/1023576566.db2.gz PLYFOINKFGGMNP-VDUFWMCCSA-N 1 0 373.453 2.711 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])[C@H](C)C1 ZINC001123268819 1023716053 /nfs/dbraw/zinc/71/60/53/1023716053.db2.gz UIQDHYDADBXENI-DOMZBBRYSA-N 1 0 350.419 2.797 20 5 FFBDRO CCn1c(-c2ccc([N+](=O)[O-])o2)nnc1N(C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC001121698217 1023934106 /nfs/dbraw/zinc/93/41/06/1023934106.db2.gz CVHSMZVGPNHNLK-OLZOCXBDSA-N 1 0 362.434 2.633 20 5 FFBDRO C[C@@H]1CC[NH2+]C[C@@H]1Oc1cc([N+](=O)[O-])ccc1I ZINC001218484092 1033177128 /nfs/dbraw/zinc/17/71/28/1033177128.db2.gz NIJUFIOYCXVULB-PELKAZGASA-N 1 0 362.167 2.576 20 5 FFBDRO Cc1cc(F)cc(C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)c1[N+](=O)[O-] ZINC000758510483 1024149907 /nfs/dbraw/zinc/14/99/07/1024149907.db2.gz VNYPSULBRCRZTF-UHFFFAOYSA-N 1 0 371.412 2.871 20 5 FFBDRO O=[N+]([O-])c1ncccc1NCCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000717966738 1025265873 /nfs/dbraw/zinc/26/58/73/1025265873.db2.gz PZJHNUABZGGJLU-UHFFFAOYSA-N 1 0 356.426 2.819 20 5 FFBDRO CC[C@@H](C)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CC1 ZINC000837009259 1025498929 /nfs/dbraw/zinc/49/89/29/1025498929.db2.gz XTACIUQWOXCPRG-OAHLLOKOSA-N 1 0 360.458 2.751 20 5 FFBDRO C[N@H+](CCOC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)Cc1ccccc1 ZINC000837432752 1025800294 /nfs/dbraw/zinc/80/02/94/1025800294.db2.gz YJUJAHMFZZPYSV-UHFFFAOYSA-N 1 0 368.393 2.620 20 5 FFBDRO COc1cc(OCC(=O)OC[C@H]2CCCC[N@@H+]2C(C)C)ccc1[N+](=O)[O-] ZINC000837472245 1025832618 /nfs/dbraw/zinc/83/26/18/1025832618.db2.gz KCBUNTMACWOEKM-CQSZACIVSA-N 1 0 366.414 2.788 20 5 FFBDRO O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638500773 1025869034 /nfs/dbraw/zinc/86/90/34/1025869034.db2.gz QEUHNKBKJBLVMU-LJQANCHMSA-N 1 0 361.445 2.556 20 5 FFBDRO C[C@@H]1C[C@H](OC(=O)CCn2cc([N+](=O)[O-])cn2)C[N@H+](Cc2ccccc2)C1 ZINC000839093028 1026585966 /nfs/dbraw/zinc/58/59/66/1026585966.db2.gz XKQLRMFYCNTZQL-QAPCUYQASA-N 1 0 372.425 2.635 20 5 FFBDRO CC[N@H+](CN1C(=O)N[C@](C)(c2ccc([N+](=O)[O-])cc2)C1=O)C1CC(C)(C)C1 ZINC000840183708 1027001254 /nfs/dbraw/zinc/00/12/54/1027001254.db2.gz IHUSYDRHOYRZLC-LJQANCHMSA-N 1 0 374.441 2.830 20 5 FFBDRO O=C(Cn1ccc([N+](=O)[O-])n1)OCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000840212675 1027009087 /nfs/dbraw/zinc/00/90/87/1027009087.db2.gz FRQMSFSINDCXHJ-UHFFFAOYSA-N 1 0 358.398 2.521 20 5 FFBDRO CC(C)[C@H](Nc1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-])c1ccc(F)cc1 ZINC001159061012 1027252362 /nfs/dbraw/zinc/25/23/62/1027252362.db2.gz FLFJQTUGBDVYHR-HNNXBMFYSA-N 1 0 374.420 2.743 20 5 FFBDRO c1ccc2nc3c(cccc3Nc3cnc(N4CC[NH2+]CC4)nc3)nc2c1 ZINC001159728196 1027478950 /nfs/dbraw/zinc/47/89/50/1027478950.db2.gz PDVWRBUIETUMLL-UHFFFAOYSA-N 1 0 357.421 2.726 20 5 FFBDRO CCc1cc(Nc2ccc(C[NH3+])nc2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001160406866 1027696512 /nfs/dbraw/zinc/69/65/12/1027696512.db2.gz XGAXVLLODMOGSZ-UHFFFAOYSA-N 1 0 350.382 2.633 20 5 FFBDRO [NH3+]C[C@]1(Nc2cc(Cl)nc3ccc([N+](=O)[O-])cc32)CN2CCC1CC2 ZINC001160521107 1027736739 /nfs/dbraw/zinc/73/67/39/1027736739.db2.gz WDRGBELYVJBKHR-KRWDZBQOSA-N 1 0 361.833 2.631 20 5 FFBDRO CCOc1nc(NC2CC[NH+](CC(=O)C(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC001161119520 1028020822 /nfs/dbraw/zinc/02/08/22/1028020822.db2.gz BCQSIJOYFFPCFF-UHFFFAOYSA-N 1 0 364.446 2.880 20 5 FFBDRO COc1ccccc1O[C@@H]1CCCN(Cn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000795732459 1028070961 /nfs/dbraw/zinc/07/09/61/1028070961.db2.gz XNSPTMZWUFVUCY-OAHLLOKOSA-N 1 0 360.414 2.918 20 5 FFBDRO [NH3+][C@H]1CC[C@H](N(c2ccc(-c3ccc([N+](=O)[O-])cc3)nn2)C2COC2)CC1 ZINC001161281146 1028112353 /nfs/dbraw/zinc/11/23/53/1028112353.db2.gz MMBVHUUBQBZJLI-SHTZXODSSA-N 1 0 369.425 2.527 20 5 FFBDRO Cc1ccccc1CC(C)(C)Nc1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001161451317 1028182349 /nfs/dbraw/zinc/18/23/49/1028182349.db2.gz NEVRUBJXWXVWFU-UHFFFAOYSA-N 1 0 370.457 2.536 20 5 FFBDRO Cc1cc(NC2CCN([C@@H]3CC[NH2+]C3)CC2)nc2ccc([N+](=O)[O-])cc12 ZINC001161464991 1028190161 /nfs/dbraw/zinc/19/01/61/1028190161.db2.gz VZCPFZOGXNUXQM-MRXNPFEDSA-N 1 0 355.442 2.690 20 5 FFBDRO C[NH+]1CCN(CCCNc2nc(-c3ccccc3)ccc2[N+](=O)[O-])CC1 ZINC001161703506 1028284597 /nfs/dbraw/zinc/28/45/97/1028284597.db2.gz HKJFHRUXCMZZCH-UHFFFAOYSA-N 1 0 355.442 2.706 20 5 FFBDRO COc1nc(C)c([N+](=O)[O-])c(N(CC2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)n1 ZINC001162186229 1028463640 /nfs/dbraw/zinc/46/36/40/1028463640.db2.gz ISMIFVOAIVWIEY-SHTZXODSSA-N 1 0 363.462 2.968 20 5 FFBDRO O=[N+]([O-])c1ccc2ncnc(N3CC[N@@H+]4CCc5ccccc5[C@@H]4C3)c2c1 ZINC001155093161 1028577707 /nfs/dbraw/zinc/57/77/07/1028577707.db2.gz YYYNCEMQPQFAIU-IBGZPJMESA-N 1 0 361.405 2.957 20 5 FFBDRO CC[N@@H+](Cc1cccc(C)c1)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000957713119 1028582669 /nfs/dbraw/zinc/58/26/69/1028582669.db2.gz MZVPOLJZFNJITA-RTBURBONSA-N 1 0 359.470 2.721 20 5 FFBDRO Cc1cc(NC[C@]2(F)CCCC[NH2+]C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001155118896 1028586913 /nfs/dbraw/zinc/58/69/13/1028586913.db2.gz MSCGPCDXFURGRR-SFHVURJKSA-N 1 0 359.405 2.676 20 5 FFBDRO CCOC1(OCC)CC[NH2+]C[C@@H]1Nc1nccc2c1cccc2[N+](=O)[O-] ZINC001162726257 1028633555 /nfs/dbraw/zinc/63/35/55/1028633555.db2.gz QHKYHZXOYZGKKJ-INIZCTEOSA-N 1 0 360.414 2.686 20 5 FFBDRO C[C@@H]([NH3+])c1nc2ccccc2n1-c1ccc([N+](=O)[O-])c2c1CCN(C)C2 ZINC001162778391 1028653952 /nfs/dbraw/zinc/65/39/52/1028653952.db2.gz KTRZNHFDJDYQLM-GFCCVEGCSA-N 1 0 351.410 2.941 20 5 FFBDRO CN(C)/C=C/c1cc(NCc2ccc3c(c2)CC[NH2+]C3)ncc1[N+](=O)[O-] ZINC001155272479 1028654055 /nfs/dbraw/zinc/65/40/55/1028654055.db2.gz PKRMLZOGQFNGKA-SOFGYWHQSA-N 1 0 353.426 2.780 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(NC[C@@H]2CCC3(CC[NH2+]CC3)CO2)nc1Cl ZINC001155381831 1028708790 /nfs/dbraw/zinc/70/87/90/1028708790.db2.gz FAFKYUMIWAUXSC-LBPRGKRZSA-N 1 0 354.838 2.912 20 5 FFBDRO COc1c(F)cc(NC[C@H]2CCC3(CC[NH2+]CC3)CO2)cc1[N+](=O)[O-] ZINC001162965835 1028736438 /nfs/dbraw/zinc/73/64/38/1028736438.db2.gz PGTBTXHGSGPZBY-CYBMUJFWSA-N 1 0 353.394 2.703 20 5 FFBDRO O=[N+]([O-])c1cnc(NC[C@H]2CCC3(CC[NH2+]CC3)CO2)c(C(F)(F)F)c1 ZINC001162967122 1028737876 /nfs/dbraw/zinc/73/78/76/1028737876.db2.gz YUTRIKDRWSPVQR-GFCCVEGCSA-N 1 0 374.363 2.969 20 5 FFBDRO O=[N+]([O-])c1ccc2ncnc(NCC[C@@H]3C[NH2+]Cc4cccn4C3)c2c1 ZINC001155453122 1028741262 /nfs/dbraw/zinc/74/12/62/1028741262.db2.gz LNQPYHCXPIEGKZ-CYBMUJFWSA-N 1 0 352.398 2.561 20 5 FFBDRO CC[NH+](CC)CCNC(=N)Nc1ccc(-c2ccc(C)c([N+](=O)[O-])c2)nn1 ZINC001163128629 1028814391 /nfs/dbraw/zinc/81/43/91/1028814391.db2.gz NYJDIEUZLRPPAJ-UHFFFAOYSA-N 1 0 371.445 2.638 20 5 FFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CCO[C@]3(CC[NH2+]C3)C2)nc1-c1ccccc1 ZINC001155635737 1028829110 /nfs/dbraw/zinc/82/91/10/1028829110.db2.gz LBCRYUNOZZZPHG-DNVCBOLYSA-N 1 0 354.410 2.980 20 5 FFBDRO COC(=O)Cc1ccc(N[C@@H]2CC[NH2+][C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC001163218617 1028843323 /nfs/dbraw/zinc/84/33/23/1028843323.db2.gz HTEAVWNMDDNFGM-APWZRJJASA-N 1 0 355.394 2.825 20 5 FFBDRO O=C1C[C@@H]2[NH2+]CC[C@@]2(Nc2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)N1 ZINC001163250299 1028854855 /nfs/dbraw/zinc/85/48/55/1028854855.db2.gz NCSSGQPKIONSRV-FUHWJXTLSA-N 1 0 370.434 2.736 20 5 FFBDRO COc1cc2ncnc(NC[C@@H]3Cc4ccccc4C[NH2+]3)c2cc1[N+](=O)[O-] ZINC001163271622 1028865437 /nfs/dbraw/zinc/86/54/37/1028865437.db2.gz FIIFNUVJGUPVIQ-AWEZNQCLSA-N 1 0 365.393 2.673 20 5 FFBDRO CN(CCC[N@H+](C)Cc1ccncc1)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001163643542 1029004298 /nfs/dbraw/zinc/00/42/98/1029004298.db2.gz UDHPFPDQDAFNQR-UHFFFAOYSA-N 1 0 354.414 2.824 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)c(F)cnc2N[C@H]1CCCC[C@@]12C[NH2+]CCO2 ZINC001163645524 1029006021 /nfs/dbraw/zinc/00/60/21/1029006021.db2.gz XINSOPMIEZAARG-FUHWJXTLSA-N 1 0 360.389 2.995 20 5 FFBDRO CN(CC[NH3+])C(F)(F)c1cc(-c2ccccc2[N+](=O)[O-])nnc1Cl ZINC001163690119 1029027592 /nfs/dbraw/zinc/02/75/92/1029027592.db2.gz MNXHTMPGRXRCQE-UHFFFAOYSA-N 1 0 357.748 2.645 20 5 FFBDRO N=C(Nc1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2 ZINC001163844454 1029088420 /nfs/dbraw/zinc/08/84/20/1029088420.db2.gz ZYJFQIAAIJSIME-UHFFFAOYSA-N 1 0 356.430 2.677 20 5 FFBDRO COc1nc(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)ncc1[N+](=O)[O-] ZINC001156314328 1029139577 /nfs/dbraw/zinc/13/95/77/1029139577.db2.gz FWWKPOVBHCCGQM-BZUAXINKSA-N 1 0 369.425 2.716 20 5 FFBDRO C[C@@H]1CC[C@@H](C[NH3+])N(c2nc(C(F)(F)F)nc(Cl)c2[N+](=O)[O-])C1 ZINC001164073316 1029164133 /nfs/dbraw/zinc/16/41/33/1029164133.db2.gz JQMNHPOFVCRVMD-RQJHMYQMSA-N 1 0 353.732 2.621 20 5 FFBDRO COc1nc(NC[C@H](c2ccccc2)[NH+]2CCCC2)nc(OC)c1[N+](=O)[O-] ZINC001156531025 1029233302 /nfs/dbraw/zinc/23/33/02/1029233302.db2.gz LYIGPHKCZVIZPW-CQSZACIVSA-N 1 0 373.413 2.651 20 5 FFBDRO O=[N+]([O-])c1cnc(Cl)nc1N1C[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC001165086697 1029376191 /nfs/dbraw/zinc/37/61/91/1029376191.db2.gz OAJMABLYWAEDDP-UKRRQHHQSA-N 1 0 359.817 2.749 20 5 FFBDRO C[N@@H+]1CCCC[C@H]1CCOC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000781736105 1029381231 /nfs/dbraw/zinc/38/12/31/1029381231.db2.gz VMTFMHXKHCNLGT-AWEZNQCLSA-N 1 0 365.386 2.853 20 5 FFBDRO CC(C)Oc1nc(-n2cc(CC[NH3+])c3cc(O)ccc32)ccc1[N+](=O)[O-] ZINC001157221246 1029510125 /nfs/dbraw/zinc/51/01/25/1029510125.db2.gz WCZMVLUBASCLQA-UHFFFAOYSA-N 1 0 356.382 2.928 20 5 FFBDRO CSc1nc(Cl)nc(N2CCCC[C@]23CCC[NH2+]C3)c1[N+](=O)[O-] ZINC001157471668 1029593715 /nfs/dbraw/zinc/59/37/15/1029593715.db2.gz MKOQJCFDKIVFSS-CQSZACIVSA-N 1 0 357.867 2.873 20 5 FFBDRO C[C@]1(CO)C[C@H](O)C[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000888092494 1029618807 /nfs/dbraw/zinc/61/88/07/1029618807.db2.gz XFOCXZYYRGKCKJ-YVEFUNNKSA-N 1 0 366.801 2.826 20 5 FFBDRO [NH3+]CCc1nc(-c2ccccc2)nn1-c1ncc([N+](=O)[O-])c2ccccc21 ZINC001157895412 1029680758 /nfs/dbraw/zinc/68/07/58/1029680758.db2.gz DIEDNIVNBPGHGZ-UHFFFAOYSA-N 1 0 360.377 2.892 20 5 FFBDRO O=[N+]([O-])c1c[nH]c2ccc(N(c3ccncc3F)C3CC[NH2+]CC3)nc21 ZINC001158340664 1029802505 /nfs/dbraw/zinc/80/25/05/1029802505.db2.gz YRTQQPYWVHELRK-UHFFFAOYSA-N 1 0 356.361 2.895 20 5 FFBDRO COc1cc(N2[C@@H](C(F)(F)F)CCC23CC[NH2+]CC3)ncc1[N+](=O)[O-] ZINC001165303284 1029937877 /nfs/dbraw/zinc/93/78/77/1029937877.db2.gz FXCMDJKTMAXPOW-GFCCVEGCSA-N 1 0 360.336 2.652 20 5 FFBDRO Cc1cc(N2C[C@H](C3([NH3+])CC3)[C@H](CF)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001165437149 1029983272 /nfs/dbraw/zinc/98/32/72/1029983272.db2.gz VMCBQIBZKTWRST-ZBFHGGJFSA-N 1 0 371.416 2.873 20 5 FFBDRO CC(C)N(c1cc(Cl)ncc1[N+](=O)[O-])c1ncnc2c1CC[NH2+]CC2 ZINC001165513226 1030005945 /nfs/dbraw/zinc/00/59/45/1030005945.db2.gz SVOVUVHAKOYIBG-UHFFFAOYSA-N 1 0 362.821 2.668 20 5 FFBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)Nc1cccc(OCC[NH3+])c1 ZINC000841287241 1030159622 /nfs/dbraw/zinc/15/96/22/1030159622.db2.gz YQUNMCLPSSTYFM-UHFFFAOYSA-N 1 0 358.398 2.639 20 5 FFBDRO [NH3+][C@@H]1CCN(c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)nn2)CC1(F)F ZINC001166961344 1030588399 /nfs/dbraw/zinc/58/83/99/1030588399.db2.gz OYQOVNJVAFHMCY-CYBMUJFWSA-N 1 0 369.759 2.878 20 5 FFBDRO [NH3+][C@@H]1CCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC1(F)F ZINC001166962236 1030591562 /nfs/dbraw/zinc/59/15/62/1030591562.db2.gz UFDATTWDUKYPCZ-CYBMUJFWSA-N 1 0 352.316 2.969 20 5 FFBDRO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2-c1ccc(C(N)=O)nc1 ZINC001203444485 1030699746 /nfs/dbraw/zinc/69/97/46/1030699746.db2.gz VFTLPIKZSMDEIB-UHFFFAOYSA-N 1 0 373.416 2.738 20 5 FFBDRO O=C1C[C@@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CN1CC1CC1 ZINC001203479626 1030720724 /nfs/dbraw/zinc/72/07/24/1030720724.db2.gz VBWSCQPGKLZNRG-CQSZACIVSA-N 1 0 355.394 2.955 20 5 FFBDRO O=C(CN1CC[NH2+]C[C@H]1c1ccccc1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000842479129 1030751513 /nfs/dbraw/zinc/75/15/13/1030751513.db2.gz WYGIDCLSEUKNSG-KRWDZBQOSA-N 1 0 374.828 2.833 20 5 FFBDRO C[NH2+]C[C@@H](C)c1noc(CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 ZINC000842575851 1030794630 /nfs/dbraw/zinc/79/46/30/1030794630.db2.gz GTPMKCGNEHUDMQ-SECBINFHSA-N 1 0 373.335 2.974 20 5 FFBDRO Cc1nn(C[N@@H+](C)C[C@]2(O)CCc3ccccc32)c2ccc([N+](=O)[O-])cc12 ZINC000842623224 1030841863 /nfs/dbraw/zinc/84/18/63/1030841863.db2.gz LBCMRDZLTVIRHQ-HXUWFJFHSA-N 1 0 366.421 2.976 20 5 FFBDRO CCOC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000797521725 1031144714 /nfs/dbraw/zinc/14/47/14/1031144714.db2.gz ZJYAIJMAXIZIRP-DZGCQCFKSA-N 1 0 365.430 2.950 20 5 FFBDRO CC(C)Oc1cccc([C@H](O)C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000843083496 1031178431 /nfs/dbraw/zinc/17/84/31/1031178431.db2.gz YCSUPEZDSDHLSS-RTBURBONSA-N 1 0 360.410 2.739 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@]2(CO)C[C@@H]2c2ccc(F)cc2)cc1 ZINC000843110559 1031189895 /nfs/dbraw/zinc/18/98/95/1031189895.db2.gz NUNLNQVXCDHOEE-QRVBRYPASA-N 1 0 360.385 2.523 20 5 FFBDRO CCc1ccc([C@@H]2C[NH2+]CCN2C(=O)c2cc([N+](=O)[O-])ccc2N)cc1 ZINC000843473712 1031419109 /nfs/dbraw/zinc/41/91/09/1031419109.db2.gz YAYXQLULQNCFJG-SFHVURJKSA-N 1 0 354.410 2.526 20 5 FFBDRO O=C(N[C@@H]1CC[NH2+]C2(CCC2)C1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000843508819 1031435984 /nfs/dbraw/zinc/43/59/84/1031435984.db2.gz YWGKRAJRVLGYMH-OAHLLOKOSA-N 1 0 372.469 2.990 20 5 FFBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NCc1ccc2c[nH+]cn2c1 ZINC001535353984 1069774584 /nfs/dbraw/zinc/77/45/84/1069774584.db2.gz PQEQCTVNNRRJAT-UHFFFAOYSA-N 1 0 374.784 2.981 20 5 FFBDRO Nc1cc2nc3ccccc3nc2cc1NC(=O)c1ccc([C@H](N)C[NH3+])cc1 ZINC001218859488 1033382112 /nfs/dbraw/zinc/38/21/12/1033382112.db2.gz OKKZHBGRJNZFBS-OAHLLOKOSA-N 1 0 372.432 2.576 20 5 FFBDRO COc1cc(CO[C@H]2CC[C@H]([NH+]3CCOCC3)CC2)cc([N+](=O)[O-])c1 ZINC001223397600 1033425391 /nfs/dbraw/zinc/42/53/91/1033425391.db2.gz ZYOBNMQTCCQJBW-JCNLHEQBSA-N 1 0 350.415 2.763 20 5 FFBDRO COc1cc(C(=O)N2CCCC3(CC[NH+](C)CC3)C2)c([N+](=O)[O-])cc1F ZINC000831728377 1034245222 /nfs/dbraw/zinc/24/52/22/1034245222.db2.gz HHOTUHLNLRFUTE-UHFFFAOYSA-N 1 0 365.405 2.691 20 5 FFBDRO C[NH+]1CCC2(CC[C@@H](COc3c([N+](=O)[O-])cc(F)cc3[N+](=O)[O-])O2)CC1 ZINC001225886801 1034439344 /nfs/dbraw/zinc/43/93/44/1034439344.db2.gz JFRKXVSSHLAAIX-LBPRGKRZSA-N 1 0 369.349 2.664 20 5 FFBDRO COCC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC001226040218 1034502401 /nfs/dbraw/zinc/50/24/01/1034502401.db2.gz AWUHYSFBVWFJHW-UHFFFAOYSA-N 1 0 359.220 2.847 20 5 FFBDRO C[C@@H](c1ccccn1)[N@@H+]1CCC[C@H](Oc2ccc([N+](=O)[O-])cc2C(N)=O)C1 ZINC001226171626 1034558965 /nfs/dbraw/zinc/55/89/65/1034558965.db2.gz DPLJFUHAKADGJU-ZFWWWQNUSA-N 1 0 370.409 2.693 20 5 FFBDRO COCCC[NH+]1CCC(Oc2ncnc3cc(F)c([N+](=O)[O-])cc32)CC1 ZINC001226807282 1034847496 /nfs/dbraw/zinc/84/74/96/1034847496.db2.gz OEQYVGHBWVBTBN-UHFFFAOYSA-N 1 0 364.377 2.557 20 5 FFBDRO O=c1nc2ccc([N+](=O)[O-])cc2c(OC2CCN(c3cc[nH+]cc3)CC2)[n-]1 ZINC001227097211 1034933697 /nfs/dbraw/zinc/93/36/97/1034933697.db2.gz XBMXRJYDZXFBRE-UHFFFAOYSA-N 1 0 367.365 2.686 20 5 FFBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc(Br)c(F)c1Cl ZINC001227301459 1035499840 /nfs/dbraw/zinc/49/98/40/1035499840.db2.gz OLMJUMUKXDGKEH-MRVPVSSYSA-N 1 0 369.638 2.604 20 5 FFBDRO O=[N+]([O-])c1c[n+]([O-])ccc1O[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001229451113 1036683075 /nfs/dbraw/zinc/68/30/75/1036683075.db2.gz CLNDFBVGOXSLEW-FVQHAEBGSA-N 1 0 355.394 2.803 20 5 FFBDRO C[NH+]1CCC(Oc2cc([N+](=O)[O-])ccc2I)CC1 ZINC001229831036 1036925677 /nfs/dbraw/zinc/92/56/77/1036925677.db2.gz KCORBQZWJNGEAR-UHFFFAOYSA-N 1 0 362.167 2.672 20 5 FFBDRO CC[N@@H+]1CC[C@@H](Oc2cc(O)c(OC)c3c2c(=O)c2ccccc2n3C)C1 ZINC001234168870 1036954512 /nfs/dbraw/zinc/95/45/12/1036954512.db2.gz AQVGYTYAMBWGFI-CYBMUJFWSA-N 1 0 368.433 2.879 20 5 FFBDRO CC[NH+](CC)C[C@H](C)Oc1c(C(C)=O)ccc(NC(C)=O)c1[N+](=O)[O-] ZINC001234682351 1037138834 /nfs/dbraw/zinc/13/88/34/1037138834.db2.gz RJPRLURSTKWZEY-NSHDSACASA-N 1 0 351.403 2.865 20 5 FFBDRO O=C1NCCN(Cc2c3ccccc3c(Cl)c3ccccc32)C12C[NH2+]C2 ZINC001235070688 1037338665 /nfs/dbraw/zinc/33/86/65/1037338665.db2.gz SENSVXLPRYATAF-UHFFFAOYSA-N 1 0 365.864 2.920 20 5 FFBDRO C[NH+](C)CCn1cc(NC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)cn1 ZINC001207780337 1037718631 /nfs/dbraw/zinc/71/86/31/1037718631.db2.gz NTOLPYWFLMPQEU-UHFFFAOYSA-N 1 0 369.385 2.545 20 5 FFBDRO COc1cc(N2CCC([NH2+]C(C)(C)CC[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC001256087694 1038372505 /nfs/dbraw/zinc/37/25/05/1038372505.db2.gz LORKKFQCSJYFSD-UHFFFAOYSA-N 1 0 364.490 2.892 20 5 FFBDRO COc1cc(N2CCC([N@@H+]3CCC[C@@](C)(O)CC3)CC2)ccc1[N+](=O)[O-] ZINC001256092947 1038378135 /nfs/dbraw/zinc/37/81/35/1038378135.db2.gz BTHQBGBBDLZDSI-LJQANCHMSA-N 1 0 363.458 2.809 20 5 FFBDRO COc1cc(N2CCC([N@@H+]3CC[C@H]4OCC[C@@H]4C3)CC2)ccc1[N+](=O)[O-] ZINC001256100777 1038385267 /nfs/dbraw/zinc/38/52/67/1038385267.db2.gz OTBJXHXCQXEJRO-RDTXWAMCSA-N 1 0 361.442 2.683 20 5 FFBDRO COc1cc(N2CCC([NH+]3CCC4(CCO4)CC3)CC2)ccc1[N+](=O)[O-] ZINC001256100945 1038385565 /nfs/dbraw/zinc/38/55/65/1038385565.db2.gz VYCPKKSELZGGCV-UHFFFAOYSA-N 1 0 361.442 2.827 20 5 FFBDRO COc1cc(N2CCC([N@@H+]3CC[C@]4(CC[NH+](C)C4)C3)CC2)ccc1[N+](=O)[O-] ZINC001256101473 1038386923 /nfs/dbraw/zinc/38/69/23/1038386923.db2.gz JTUJNEQQVTXINC-FQEVSTJZSA-N 1 0 374.485 2.600 20 5 FFBDRO CCc1ccc(-c2nnc(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)o2)cc1[N+](=O)[O-] ZINC001258021092 1039119977 /nfs/dbraw/zinc/11/99/77/1039119977.db2.gz VWWDUTUWVNUFNF-BETUJISGSA-N 1 0 360.414 2.859 20 5 FFBDRO COC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Br ZINC001258333530 1039317387 /nfs/dbraw/zinc/31/73/87/1039317387.db2.gz RUYXEJUMTMJUMD-AAEUAGOBSA-N 1 0 357.204 2.789 20 5 FFBDRO COc1cc(N2CC[NH+](C)CC2)ccc1Nc1cnc(OC)c([N+](=O)[O-])c1 ZINC001210137918 1039400627 /nfs/dbraw/zinc/40/06/27/1039400627.db2.gz JNTUJILEVOXAQI-UHFFFAOYSA-N 1 0 373.413 2.502 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CCC[C@H]([NH2+]C3CC3)C2)c1F ZINC001246908969 1039527308 /nfs/dbraw/zinc/52/73/08/1039527308.db2.gz HLWFWSZAKKJGKH-JSGCOSHPSA-N 1 0 351.422 2.890 20 5 FFBDRO COc1ccc(Nc2ccc(N3CC[NH+](C)CC3)c(CO)c2)c([N+](=O)[O-])c1 ZINC001248475193 1040293153 /nfs/dbraw/zinc/29/31/53/1040293153.db2.gz UDYWIRRCFRGHTI-UHFFFAOYSA-N 1 0 372.425 2.591 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001213164972 1040298525 /nfs/dbraw/zinc/29/85/25/1040298525.db2.gz HMPCMSRTNDGRQZ-AWEZNQCLSA-N 1 0 367.471 2.589 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001213164973 1040299243 /nfs/dbraw/zinc/29/92/43/1040299243.db2.gz HMPCMSRTNDGRQZ-CQSZACIVSA-N 1 0 367.471 2.589 20 5 FFBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@H]2[NH2+]CC[C@@H]2c2ccccc2)n1 ZINC001249287998 1040669151 /nfs/dbraw/zinc/66/91/51/1040669151.db2.gz NLPXFIUJLOAAKJ-OCCSQVGLSA-N 1 0 355.329 2.997 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CCCC4(C3)OCCO4)CC2)cc1 ZINC001254469976 1040737284 /nfs/dbraw/zinc/73/72/84/1040737284.db2.gz KTHUBOKITDZVQL-MRXNPFEDSA-N 1 0 361.442 2.839 20 5 FFBDRO O=C1Nc2ccccc2[C@@H]1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254472894 1040739540 /nfs/dbraw/zinc/73/95/40/1040739540.db2.gz UEXPYXBMURINBW-SFHVURJKSA-N 1 0 366.421 2.889 20 5 FFBDRO COC(=O)c1ccc([C@H](CO)[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC001254546944 1040790641 /nfs/dbraw/zinc/79/06/41/1040790641.db2.gz ALYPGYCGXKATRL-GUYCJALGSA-N 1 0 358.394 2.636 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1CCN(c2ncccn2)CC1 ZINC001254547825 1040790847 /nfs/dbraw/zinc/79/08/47/1040790847.db2.gz YCIOYYHZEVHYDW-OAHLLOKOSA-N 1 0 355.442 2.822 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC001254551511 1040792805 /nfs/dbraw/zinc/79/28/05/1040792805.db2.gz CMZMNSIBRJEHRP-JJAZEVLHSA-N 1 0 361.442 2.981 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N1CC[NH+](CCc2ccncc2)CC1 ZINC001254562144 1040798972 /nfs/dbraw/zinc/79/89/72/1040798972.db2.gz JXXRADFWCOODQA-QGZVFWFLSA-N 1 0 354.454 2.781 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCC(NC(=O)c2ccccn2)CC1 ZINC001254570127 1040804226 /nfs/dbraw/zinc/80/42/26/1040804226.db2.gz NCKGLLKFNCIGPT-OAHLLOKOSA-N 1 0 368.437 2.815 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCC(NC(=O)c2ccncc2)CC1 ZINC001254569785 1040806296 /nfs/dbraw/zinc/80/62/96/1040806296.db2.gz KXYHGKJDZHSYMI-OAHLLOKOSA-N 1 0 368.437 2.815 20 5 FFBDRO CC(C)(C)OC(=O)N1CC(CC[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254580741 1040813230 /nfs/dbraw/zinc/81/32/30/1040813230.db2.gz FFXWWZDMFHOICW-INIZCTEOSA-N 1 0 361.442 2.909 20 5 FFBDRO CCN(CC)C(=O)N1CCC([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254584679 1040816260 /nfs/dbraw/zinc/81/62/60/1040816260.db2.gz ITRVQSUCUPILLB-QGZVFWFLSA-N 1 0 360.458 2.578 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]Cc1cc(OCC(F)(F)F)ncn1)C2 ZINC001254588216 1040820780 /nfs/dbraw/zinc/82/07/80/1040820780.db2.gz WOWAIYVPCLBUGO-LBPRGKRZSA-N 1 0 368.315 2.583 20 5 FFBDRO CC(=O)N1CCCC[C@]12CCC[N@@H+]([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254594724 1040823054 /nfs/dbraw/zinc/82/30/54/1040823054.db2.gz HFDYZDJQMMYBOK-WOJBJXKFSA-N 1 0 357.454 2.929 20 5 FFBDRO O=C1CC[C@H]2[C@H](CC[N@H+]2[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)N1CC1CC1 ZINC001254596238 1040823801 /nfs/dbraw/zinc/82/38/01/1040823801.db2.gz MVQJLLYJZUOCII-FHWLQOOXSA-N 1 0 355.438 2.537 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CCCN(c3ccc(F)cn3)CC1)C2 ZINC001254595969 1040824059 /nfs/dbraw/zinc/82/40/59/1040824059.db2.gz AORXEWLIIYQSTL-GOSISDBHSA-N 1 0 356.401 2.808 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CC[C@H]3[C@H]1CCN3Cc1cccnc1)C2 ZINC001254596045 1040825228 /nfs/dbraw/zinc/82/52/28/1040825228.db2.gz MLCVYZMRILUXJU-PCCBWWKXSA-N 1 0 364.449 2.806 20 5 FFBDRO CC(C)C(=O)N1CCC[C@]12CC[N@@H+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254599051 1040830081 /nfs/dbraw/zinc/83/00/81/1040830081.db2.gz JWXGCJJTWCCQJH-AZUAARDMSA-N 1 0 357.454 2.785 20 5 FFBDRO CC1(C(=O)N2CCCC2)CC[NH+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254602430 1040833062 /nfs/dbraw/zinc/83/30/62/1040833062.db2.gz FQCOKYIYGXAXHM-SFHVURJKSA-N 1 0 357.454 2.787 20 5 FFBDRO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cc([N+](=O)[O-])ccc3N3CCCCC3)[C@H]2C1 ZINC001538046057 1070324141 /nfs/dbraw/zinc/32/41/41/1070324141.db2.gz GUMXWPGOKJRZEV-JCGIZDLHSA-N 1 0 372.469 2.655 20 5 FFBDRO C[NH+](C)[C@@H]1CCCC[C@@H]1Nc1ccc([N+](=O)[O-])c(N2CCOCC2)c1F ZINC001261558689 1041306621 /nfs/dbraw/zinc/30/66/21/1041306621.db2.gz OHMMZPZGBLZFEM-DZGCQCFKSA-N 1 0 366.437 2.855 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(-c2nc3cc(N4CC[NH+](C)CC4)ccc3[nH]2)c1 ZINC001250871111 1041412006 /nfs/dbraw/zinc/41/20/06/1041412006.db2.gz FVQHNESQYNXKOE-UHFFFAOYSA-N 1 0 367.409 2.899 20 5 FFBDRO COc1c(O)ccc(CNc2ccc(OCC[NH+](C)C)cc2)c1[N+](=O)[O-] ZINC001262358536 1041656461 /nfs/dbraw/zinc/65/64/61/1041656461.db2.gz UWIULEXGLVNKDW-UHFFFAOYSA-N 1 0 361.398 2.862 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@H]2CN(c3ncc([N+](=O)[O-])cc3Br)C[C@H]2C1 ZINC001262377334 1041666011 /nfs/dbraw/zinc/66/60/11/1041666011.db2.gz STYZDNBDFZYYOG-QJPTWQEYSA-N 1 0 369.263 2.919 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@@H]2C[N@H+](Cc3cc4c(cc3[N+](=O)[O-])OCCO4)C[C@@H]2C1 ZINC001262379323 1041667068 /nfs/dbraw/zinc/66/70/68/1041667068.db2.gz XKKICSZPKPPPRS-IJEWVQPXSA-N 1 0 361.442 2.528 20 5 FFBDRO O=[N+]([O-])c1c2cccnc2ccc1N1CCC([NH2+]C2CCOCC2)CC1 ZINC001262706344 1041805638 /nfs/dbraw/zinc/80/56/38/1041805638.db2.gz LFPMDDHSRORFSZ-UHFFFAOYSA-N 1 0 356.426 2.880 20 5 FFBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)[C@@H]3CC[C@@H]4C[C@@H]4C3)c2)CC1 ZINC001262811891 1041871387 /nfs/dbraw/zinc/87/13/87/1041871387.db2.gz DQOTXUJQFVUKQE-RBSFLKMASA-N 1 0 358.442 2.721 20 5 FFBDRO CCn1c([C@H](C)[N+](=O)[O-])nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001263020933 1042039465 /nfs/dbraw/zinc/03/94/65/1042039465.db2.gz GVRVSUZCOKDFCK-HOTGVXAUSA-N 1 0 364.494 2.584 20 5 FFBDRO C[C@H](CNC(=O)c1cccc2c1OCC[NH2+]C2)c1ccccc1[N+](=O)[O-] ZINC001263235962 1042190164 /nfs/dbraw/zinc/19/01/64/1042190164.db2.gz CHEZDJNWJRKGHH-CYBMUJFWSA-N 1 0 355.394 2.610 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC001265557689 1042865759 /nfs/dbraw/zinc/86/57/59/1042865759.db2.gz XVXVSJPCYYFBNB-KDOFPFPSSA-N 1 0 368.437 2.939 20 5 FFBDRO COCC[N@H+](C)CCCNC(=O)Nc1ccc([N+](=O)[O-])c2ccccc12 ZINC001311332074 1043891143 /nfs/dbraw/zinc/89/11/43/1043891143.db2.gz RUORDYOWBGMIQK-UHFFFAOYSA-N 1 0 360.414 2.838 20 5 FFBDRO CC(C)[NH+]1CCC(NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)CC1 ZINC001539081016 1070555181 /nfs/dbraw/zinc/55/51/81/1070555181.db2.gz FONYZZOJHTXGRH-UHFFFAOYSA-N 1 0 358.801 2.572 20 5 FFBDRO C[N@@H+]1CCCC[C@H]1CNC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001313376427 1044337523 /nfs/dbraw/zinc/33/75/23/1044337523.db2.gz PORJMMRTUKBVMV-AEFFLSMTSA-N 1 0 360.458 2.968 20 5 FFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(CC[NH2+]CC/C=C\c2ccccc2)CC1 ZINC001318886466 1044924158 /nfs/dbraw/zinc/92/41/58/1044924158.db2.gz RNYRUKWZQBJQPZ-IYKQLEIESA-N 1 0 371.481 2.973 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH+]2CCC(n3cc(Cl)cn3)CC2)cc1 ZINC001320195797 1045366302 /nfs/dbraw/zinc/36/63/02/1045366302.db2.gz OMYTUYVPCRCLTL-INIZCTEOSA-N 1 0 350.806 2.815 20 5 FFBDRO COC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC001324489319 1046061068 /nfs/dbraw/zinc/06/10/68/1046061068.db2.gz GUBUNDCRMIEGSP-QWRGUYRKSA-N 1 0 374.340 2.636 20 5 FFBDRO Cn1cc(CN2CC[NH+](C(C)(C)C)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001324732271 1046192491 /nfs/dbraw/zinc/19/24/91/1046192491.db2.gz IDNNNBBEBFCAIS-UHFFFAOYSA-N 1 0 357.458 2.911 20 5 FFBDRO CC1(C)[C@H]([NH2+]CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])[C@@H]2CCCO[C@@H]21 ZINC001324732947 1046194242 /nfs/dbraw/zinc/19/42/42/1046194242.db2.gz DMYPBBJJVVEXEX-XZJROXQQSA-N 1 0 367.833 2.980 20 5 FFBDRO COc1ccc([C@@H](CNc2c(C)cncc2[N+](=O)[O-])[NH+]2CCCC2)cc1 ZINC001323059521 1046326986 /nfs/dbraw/zinc/32/69/86/1046326986.db2.gz MOSHMLZQQPJJMT-QGZVFWFLSA-N 1 0 356.426 2.978 20 5 FFBDRO COc1ccc(CCN[C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)cn1 ZINC001331314133 1047858331 /nfs/dbraw/zinc/85/83/31/1047858331.db2.gz GEPTVPHLKNDTAN-SFHVURJKSA-N 1 0 367.409 2.654 20 5 FFBDRO CC[NH+]1CCN(c2cc(N(C)C(=O)C3(C4CC4)CC3)cc([N+](=O)[O-])c2)CC1 ZINC001331948017 1048182665 /nfs/dbraw/zinc/18/26/65/1048182665.db2.gz RTNAVVRARAQVJA-UHFFFAOYSA-N 1 0 372.469 2.890 20 5 FFBDRO O=C(c1ccccc1)N1CCC[C@@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001331962483 1048188963 /nfs/dbraw/zinc/18/89/63/1048188963.db2.gz IADKBPMQNGELSM-IEBWSBKVSA-N 1 0 369.421 2.523 20 5 FFBDRO COc1ccc(OCC[N@H+](Cc2ccccc2)[C@H](C)CO)c([N+](=O)[O-])c1 ZINC001330088229 1049034341 /nfs/dbraw/zinc/03/43/41/1049034341.db2.gz ABLCPUHTCRNBTB-OAHLLOKOSA-N 1 0 360.410 2.865 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(c3ncc(Br)cc3[N+](=O)[O-])C[C@@H]2C1 ZINC001333826317 1049134085 /nfs/dbraw/zinc/13/40/85/1049134085.db2.gz LZSLTNGTDBFBRD-NTZNESFSSA-N 1 0 369.263 2.919 20 5 FFBDRO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001330517086 1049188488 /nfs/dbraw/zinc/18/84/88/1049188488.db2.gz ITDFTPFANUWLMT-RHSMWYFYSA-N 1 0 357.414 2.588 20 5 FFBDRO C[C@@H](CNC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)[NH+]1CCC(C)CC1 ZINC001292269201 1049228496 /nfs/dbraw/zinc/22/84/96/1049228496.db2.gz BMKGKSMCZJCBLW-AWEZNQCLSA-N 1 0 371.441 2.835 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)NCCc3cccc([N+](=O)[O-])c3)C[C@H]2C1 ZINC001334216098 1049316723 /nfs/dbraw/zinc/31/67/23/1049316723.db2.gz XBRJCJVZJMEHDH-BRWVUGGUSA-N 1 0 360.458 2.509 20 5 FFBDRO O=[N+]([O-])c1ccc(Cl)c(CN2CCC([NH2+]C3CCOCC3)CC2)c1 ZINC001334403155 1049408243 /nfs/dbraw/zinc/40/82/43/1049408243.db2.gz UNEPLCWFDJSUDF-UHFFFAOYSA-N 1 0 353.850 2.981 20 5 FFBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)CC1 ZINC001334668601 1049516155 /nfs/dbraw/zinc/51/61/55/1049516155.db2.gz JSQWUFLCXQWTNR-YWZLYKJASA-N 1 0 372.469 2.785 20 5 FFBDRO C[N@@H+]1C[C@@]2(C)CN(c3ncnc4c(Cl)cc([N+](=O)[O-])cc43)C[C@@]2(C)C1 ZINC001307178585 1049812040 /nfs/dbraw/zinc/81/20/40/1049812040.db2.gz DOGSCCQBZOSLGX-CALCHBBNSA-N 1 0 361.833 2.969 20 5 FFBDRO CCO[C@H](CNc1ncnc2c(Cl)cc([N+](=O)[O-])cc12)C[NH+](C)C ZINC001307205343 1049997227 /nfs/dbraw/zinc/99/72/27/1049997227.db2.gz JIDMHGUCVIQBQK-LLVKDONJSA-N 1 0 353.810 2.570 20 5 FFBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)CCc3c(Cl)cccc3[N+](=O)[O-])C[C@@H]21 ZINC001341643895 1050270876 /nfs/dbraw/zinc/27/08/76/1050270876.db2.gz PYSXDZMGHODMTI-CORIIIEPSA-N 1 0 351.834 2.767 20 5 FFBDRO O=C(NC[C@@H]1CCCCC[NH2+]1)c1cc(F)cc([N+](=O)[O-])c1Br ZINC001342205510 1050798857 /nfs/dbraw/zinc/79/88/57/1050798857.db2.gz LKVFXMKWUKXYTC-JTQLQIEISA-N 1 0 374.210 2.758 20 5 FFBDRO O=C(Cc1ccccc1[N+](=O)[O-])N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC001342231440 1050821177 /nfs/dbraw/zinc/82/11/77/1050821177.db2.gz GKEDUZAVSIAEFB-JXFKEZNVSA-N 1 0 367.405 2.509 20 5 FFBDRO [NH3+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C[C@H]1c1ccccc1F ZINC001340482445 1050878046 /nfs/dbraw/zinc/87/80/46/1050878046.db2.gz FMQMSRHXFUMPLY-MJQMVNBJSA-N 1 0 369.396 2.791 20 5 FFBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC001340941512 1051273512 /nfs/dbraw/zinc/27/35/12/1051273512.db2.gz WYBHNBIWJKVTCH-LDYMZIIASA-N 1 0 363.361 2.526 20 5 FFBDRO COc1cc(C(=O)N2C[C@H](CC[NH3+])Cc3ccccc32)ccc1[N+](=O)[O-] ZINC001341258952 1051617641 /nfs/dbraw/zinc/61/76/41/1051617641.db2.gz MDVVAFPCLFGZPF-CYBMUJFWSA-N 1 0 355.394 2.771 20 5 FFBDRO C[C@H](CNC(=O)Cc1cccc2c1CC[NH2+]C2)c1ccccc1[N+](=O)[O-] ZINC001341429214 1051784806 /nfs/dbraw/zinc/78/48/06/1051784806.db2.gz QBYPBIUTEKSKGO-CQSZACIVSA-N 1 0 353.422 2.703 20 5 FFBDRO Cc1ccc2cc(C[NH2+][C@H](CO)[C@H](O)c3ccc([N+](=O)[O-])cc3)[nH]c2c1 ZINC000850138628 1052338382 /nfs/dbraw/zinc/33/83/82/1052338382.db2.gz HKHZZXOEMQTXQW-RTBURBONSA-N 1 0 355.394 2.569 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H](n2ccnn2)CC1 ZINC001307965639 1052372825 /nfs/dbraw/zinc/37/28/25/1052372825.db2.gz JOJZACKBPWNZTD-HNNXBMFYSA-N 1 0 372.429 2.551 20 5 FFBDRO CC[C@H]([NH2+]CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC001308028234 1052387596 /nfs/dbraw/zinc/38/75/96/1052387596.db2.gz AHODUYVSTCFEBG-HIFRSBDPSA-N 1 0 365.430 2.727 20 5 FFBDRO COCC[C@H](C[NH2+]CCc1ccc([N+](=O)[O-])cc1)NC(=O)OC(C)(C)C ZINC001308254795 1052437817 /nfs/dbraw/zinc/43/78/17/1052437817.db2.gz XAPBQKOGEFPVJS-OAHLLOKOSA-N 1 0 367.446 2.657 20 5 FFBDRO C[C@H](CCc1ccccc1)C[NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001308512113 1052463275 /nfs/dbraw/zinc/46/32/75/1052463275.db2.gz GMKDFCKJIFZULN-CDHQVMDDSA-N 1 0 358.438 2.848 20 5 FFBDRO CN(C)c1ccc(F)cc1C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001308573893 1052472299 /nfs/dbraw/zinc/47/22/99/1052472299.db2.gz PCUWLVUVGRJNLV-HNNXBMFYSA-N 1 0 359.405 2.881 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC001345560100 1052510222 /nfs/dbraw/zinc/51/02/22/1052510222.db2.gz MJEHUHPOZHKTRE-JXFKEZNVSA-N 1 0 367.405 2.889 20 5 FFBDRO CCCCO[C@@H]1C[C@@H]([NH2+][C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC001308931128 1052521433 /nfs/dbraw/zinc/52/14/33/1052521433.db2.gz NZEIFZNOUGRXMU-BRSBDYLESA-N 1 0 366.458 2.563 20 5 FFBDRO C[C@@H](NCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])[C@H]1C[N@H+](C)CCN1C ZINC001308949277 1052524538 /nfs/dbraw/zinc/52/45/38/1052524538.db2.gz XPOVVTKPVNKLNI-QMTHXVAHSA-N 1 0 361.273 2.626 20 5 FFBDRO Nc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001542868407 1071325048 /nfs/dbraw/zinc/32/50/48/1071325048.db2.gz WOCLXVJQWAOTSO-OAHLLOKOSA-N 1 0 360.458 2.905 20 5 FFBDRO O=C(N[C@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)c1ccc([N+](=O)[O-])[nH]1 ZINC001334858728 1053119288 /nfs/dbraw/zinc/11/92/88/1053119288.db2.gz MKSADZHKHABNEU-IKGGRYGDSA-N 1 0 368.437 2.953 20 5 FFBDRO COc1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccco2)c([N+](=O)[O-])c1 ZINC001347495874 1054044789 /nfs/dbraw/zinc/04/47/89/1054044789.db2.gz LVZLKSNNFUIFNT-UHFFFAOYSA-N 1 0 362.386 2.792 20 5 FFBDRO O=C(c1cc(C(F)(F)F)ccc1[N+](=O)[O-])N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001347772346 1054304145 /nfs/dbraw/zinc/30/41/45/1054304145.db2.gz XHMYVMOHFMSHQR-LBPRGKRZSA-N 1 0 357.332 2.924 20 5 FFBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC001349402348 1055231123 /nfs/dbraw/zinc/23/11/23/1055231123.db2.gz ASEQTBBLRBVQPO-WBVHZDCISA-N 1 0 372.400 2.733 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)C[C@H]2C1 ZINC001352172959 1055242361 /nfs/dbraw/zinc/24/23/61/1055242361.db2.gz YREYWUZUUFUEGV-BFHYXJOUSA-N 1 0 356.426 2.878 20 5 FFBDRO C[N@H+](CCNC(=O)CCc1cc(F)ccc1[N+](=O)[O-])Cc1ccccc1 ZINC001356104621 1055290135 /nfs/dbraw/zinc/29/01/35/1055290135.db2.gz RTLFGJITWGCQSW-UHFFFAOYSA-N 1 0 359.401 2.915 20 5 FFBDRO O=[N+]([O-])c1ccc(C(F)(F)F)cc1N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC001338384692 1055466519 /nfs/dbraw/zinc/46/65/19/1055466519.db2.gz VCYCCWHAJJOTME-CYBMUJFWSA-N 1 0 359.348 2.649 20 5 FFBDRO Nc1c(Cl)cc(C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)cc1[N+](=O)[O-] ZINC001543830688 1071553238 /nfs/dbraw/zinc/55/32/38/1071553238.db2.gz IKLRKHZSNUUIKA-UHFFFAOYSA-N 1 0 358.745 2.663 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@H](O)c2ccc(C(F)(F)F)cc2)c1 ZINC001356569838 1055588863 /nfs/dbraw/zinc/58/88/63/1055588863.db2.gz QAZIWKZWVOWPBQ-JKSUJKDBSA-N 1 0 370.327 2.970 20 5 FFBDRO COc1cc(CCNC(=[NH2+])NCc2ccc(C)cc2)c([N+](=O)[O-])cc1OC ZINC000849056810 1055608067 /nfs/dbraw/zinc/60/80/67/1055608067.db2.gz SCXJDJUVQCVDNZ-UHFFFAOYSA-N 1 0 372.425 2.777 20 5 FFBDRO Cc1ccc(C[N@@H+]2CCCN(c3ccc([N+](=O)[O-])c(C(N)=O)c3)CC2)cc1 ZINC001350433551 1055771436 /nfs/dbraw/zinc/77/14/36/1055771436.db2.gz OAOFWYSJNXALGV-UHFFFAOYSA-N 1 0 368.437 2.714 20 5 FFBDRO Cn1cc(N2CC[C@@H]([NH2+]Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2)cn1 ZINC001352850341 1055863568 /nfs/dbraw/zinc/86/35/68/1055863568.db2.gz RDCVYMHPZHNDLV-CYBMUJFWSA-N 1 0 369.347 2.716 20 5 FFBDRO O=[N+]([O-])c1cnc(N2CC[NH+](CC3CCOCC3)CC2)c2ccccc21 ZINC001353252008 1056227316 /nfs/dbraw/zinc/22/73/16/1056227316.db2.gz KVIDMZCSXURTGZ-UHFFFAOYSA-N 1 0 356.426 2.692 20 5 FFBDRO C[C@@H](CNC(=O)CCc1cc(F)ccc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC001544292784 1071624013 /nfs/dbraw/zinc/62/40/13/1071624013.db2.gz VUYMHCVZEXIVQB-AWEZNQCLSA-N 1 0 351.422 2.903 20 5 FFBDRO Nc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001444270508 1058291500 /nfs/dbraw/zinc/29/15/00/1058291500.db2.gz ZPBJCZHBZAOWGL-MRXNPFEDSA-N 1 0 354.410 2.571 20 5 FFBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)[C@@H]3CCCCS3)c2)CC1 ZINC001518546832 1058417734 /nfs/dbraw/zinc/41/77/34/1058417734.db2.gz DZCSFYHZCLMCHZ-INIZCTEOSA-N 1 0 364.471 2.571 20 5 FFBDRO CC(C)C[C@@H](C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)n1ccnc1 ZINC001448547126 1058788109 /nfs/dbraw/zinc/78/81/09/1058788109.db2.gz DBEFQQCGCPEDPC-HNNXBMFYSA-N 1 0 356.386 2.571 20 5 FFBDRO Cc1ccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)cc1[N+](=O)[O-] ZINC001200704260 1059151931 /nfs/dbraw/zinc/15/19/31/1059151931.db2.gz SCUNSGSORUPPDI-VQTJNVASSA-N 1 0 369.465 2.876 20 5 FFBDRO O=[N+]([O-])c1ccccc1-c1cnn(CN2CC[C@@H]([NH+]3CCCCC3)C2)c1 ZINC000848478841 1060107368 /nfs/dbraw/zinc/10/73/68/1060107368.db2.gz UXSZXRAHNSROJQ-QGZVFWFLSA-N 1 0 355.442 2.976 20 5 FFBDRO CCOC[C@H]1CCC[N@H+](CN2CC[C@H](c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000848478908 1060107716 /nfs/dbraw/zinc/10/77/16/1060107716.db2.gz OLBKVWSTNFFWAH-MAUKXSAKSA-N 1 0 361.442 2.617 20 5 FFBDRO O=C1[C@@H](c2ccc([N+](=O)[O-])cc2)CCN1C[NH+]1CCc2ccccc2CC1 ZINC000848480907 1060113873 /nfs/dbraw/zinc/11/38/73/1060113873.db2.gz UODSUXACTGEQBK-HXUWFJFHSA-N 1 0 365.433 2.969 20 5 FFBDRO [NH3+]C[C@@]12CC[C@H]1CCCN2C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC001355338003 1060146623 /nfs/dbraw/zinc/14/66/23/1060146623.db2.gz CNBXJQJLURNULH-BZNIZROVSA-N 1 0 355.797 2.660 20 5 FFBDRO COc1cc(OC)cc([C@H](O)C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000848529096 1060224556 /nfs/dbraw/zinc/22/45/56/1060224556.db2.gz RLUUIEYVIZPOHP-PKOBYXMFSA-N 1 0 358.394 2.923 20 5 FFBDRO O=C(NC1CC[NH+](C2CCC2)CC1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848592674 1060325676 /nfs/dbraw/zinc/32/56/76/1060325676.db2.gz XDYUKYRYSSYGEI-UHFFFAOYSA-N 1 0 369.368 2.700 20 5 FFBDRO [NH3+]C12C[C@@H]3C[C@H](C1)CC(C(=O)N1CCc4ccc([N+](=O)[O-])cc4C1)(C3)C2 ZINC001521332660 1060539458 /nfs/dbraw/zinc/53/94/58/1060539458.db2.gz FGOSZAQZHLQXRW-LWYUSKRHSA-N 1 0 355.438 2.777 20 5 FFBDRO CCC(=O)c1ccc(N(CCOC)CC2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC001458522771 1060611199 /nfs/dbraw/zinc/61/11/99/1060611199.db2.gz LUYPIQTUFLAHIE-UHFFFAOYSA-N 1 0 363.458 2.982 20 5 FFBDRO CC(C)C[C@H]1C[N@H+](C)CCN1c1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC001458644202 1060639974 /nfs/dbraw/zinc/63/99/74/1060639974.db2.gz IUMCQXQQRBVKGS-AWEZNQCLSA-N 1 0 358.442 2.613 20 5 FFBDRO Nc1nccc(C(=O)OCc2ccc(C[NH+]3CCCCC3)cc2)c1[N+](=O)[O-] ZINC000848789791 1060700846 /nfs/dbraw/zinc/70/08/46/1060700846.db2.gz FPZSPUZYFDEYOT-UHFFFAOYSA-N 1 0 370.409 2.915 20 5 FFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCCC[C@H]2N2CCOCC2)c(Cl)c1 ZINC001459961331 1060857419 /nfs/dbraw/zinc/85/74/19/1060857419.db2.gz IMVJVDWVZOFOQT-DLBZAZTESA-N 1 0 353.850 2.981 20 5 FFBDRO CC(C)CN(CC1CC[NH+](C)CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC001475609438 1061163993 /nfs/dbraw/zinc/16/39/93/1061163993.db2.gz DIJWWWKWNQYPFD-UHFFFAOYSA-N 1 0 369.487 2.583 20 5 FFBDRO CC[NH+](CC)CC[C@@H](C)NS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC001475805056 1061286875 /nfs/dbraw/zinc/28/68/75/1061286875.db2.gz LRMRIPOBPCCZFS-CQSZACIVSA-N 1 0 357.476 2.610 20 5 FFBDRO COc1cc(C[NH2+][C@H]2C[C@@H](C(=O)OC(C)(C)C)C2)c([N+](=O)[O-])cc1O ZINC001461694671 1061379231 /nfs/dbraw/zinc/37/92/31/1061379231.db2.gz LKTXMSRNHBODMO-KLPPZKSPSA-N 1 0 352.387 2.519 20 5 FFBDRO Cc1nnc(N(C)CCc2ccccc2[N+](=O)[O-])n1CCC[NH+]1CCCC1 ZINC001492784714 1062210784 /nfs/dbraw/zinc/21/07/84/1062210784.db2.gz NEPKFWXYQQKEIE-UHFFFAOYSA-N 1 0 372.473 2.660 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N2c3ccccc3CC[C@H]2C[NH+](C)C)n1 ZINC001523575461 1062525253 /nfs/dbraw/zinc/52/52/53/1062525253.db2.gz ZVPMUFXPFCPNTE-HNNXBMFYSA-N 1 0 354.410 2.821 20 5 FFBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)C1 ZINC001523937366 1062663352 /nfs/dbraw/zinc/66/33/52/1062663352.db2.gz OAXFGAUQLKXQTO-ZIAGYGMSSA-N 1 0 356.426 2.933 20 5 FFBDRO COc1ccc(CC(=O)N2[C@@H](CC[NH+](C)C)CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC001533416200 1063293314 /nfs/dbraw/zinc/29/33/14/1063293314.db2.gz AXOZKACLHXNZAE-GOEBONIOSA-N 1 0 363.458 2.867 20 5 FFBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 ZINC001468570615 1064006551 /nfs/dbraw/zinc/00/65/51/1064006551.db2.gz WDBXBGPYPLYKPO-OAHLLOKOSA-N 1 0 373.457 2.690 20 5 FFBDRO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001470781682 1064449096 /nfs/dbraw/zinc/44/90/96/1064449096.db2.gz XYPKRKSYSRHBEO-AUUYWEPGSA-N 1 0 368.437 2.817 20 5 FFBDRO CC1(C)CCN(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CC(C)(C)[NH2+]1 ZINC001472410073 1065050800 /nfs/dbraw/zinc/05/08/00/1065050800.db2.gz YMWMTPQCZZIXGJ-UHFFFAOYSA-N 1 0 361.442 2.937 20 5 FFBDRO CC(C)Oc1cccc(CNC(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)c1 ZINC001575812787 1078169368 /nfs/dbraw/zinc/16/93/68/1078169368.db2.gz CVXGCPUDZWXADF-LJQANCHMSA-N 1 0 357.410 2.872 20 5 FFBDRO Cc1cc(NC[C@H]2CCCC[N@@H+](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001472831848 1065154069 /nfs/dbraw/zinc/15/40/69/1065154069.db2.gz URFOTXRBQBYDTH-OAHLLOKOSA-N 1 0 355.442 2.926 20 5 FFBDRO C[C@]([NH3+])(C(=O)N[C@H]1CCOc2c(F)cccc21)c1cccc([N+](=O)[O-])c1 ZINC001576081689 1078193768 /nfs/dbraw/zinc/19/37/68/1078193768.db2.gz OFSAIDRJSHNCRC-MAUKXSAKSA-N 1 0 359.357 2.548 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H](Cn2ccnc2)c2ccccc2)cc1 ZINC001473748188 1065345508 /nfs/dbraw/zinc/34/55/08/1065345508.db2.gz WLJZDVREEMSSNX-RTBURBONSA-N 1 0 352.394 2.856 20 5 FFBDRO CC[C@@H]([NH2+]Cc1ccc(OC)c(OCC(N)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC001474071768 1065452164 /nfs/dbraw/zinc/45/21/64/1065452164.db2.gz DNWBTDKOOQMCQC-MRXNPFEDSA-N 1 0 373.409 2.708 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC001576282712 1078212430 /nfs/dbraw/zinc/21/24/30/1078212430.db2.gz GWVCISUGGLJDMD-WCQYABFASA-N 1 0 355.822 2.745 20 5 FFBDRO CCc1noc(C[C@@]2(O)CCC[N@H+](Cc3c(C)ccc([N+](=O)[O-])c3C)C2)n1 ZINC001474633239 1065566919 /nfs/dbraw/zinc/56/69/19/1065566919.db2.gz ANLWCIUAIHHVAE-IBGZPJMESA-N 1 0 374.441 2.727 20 5 FFBDRO CCOC(=O)[C@@]1(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CCCOC1 ZINC001474652880 1065572250 /nfs/dbraw/zinc/57/22/50/1065572250.db2.gz VIIJQHKRXZGZHZ-MRXNPFEDSA-N 1 0 356.806 2.698 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCC[N@@H+](C)C1CCCCC1 ZINC001474879755 1065634948 /nfs/dbraw/zinc/63/49/48/1065634948.db2.gz NECYOEHTIGSELZ-UHFFFAOYSA-N 1 0 369.487 2.754 20 5 FFBDRO C[C@@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2Br)[C@@H]1C[NH3+] ZINC001576705824 1078263310 /nfs/dbraw/zinc/26/33/10/1078263310.db2.gz WHIPGTYDLZLBBO-BXKDBHETSA-N 1 0 356.220 2.557 20 5 FFBDRO CC[NH2+]CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](C(C)C)C1 ZINC001577857961 1078408553 /nfs/dbraw/zinc/40/85/53/1078408553.db2.gz MXUDRRUMVAVUEN-INIZCTEOSA-N 1 0 372.473 2.945 20 5 FFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NCC[C@@H]([NH3+])Cc1ccccc1 ZINC001578194710 1078450515 /nfs/dbraw/zinc/45/05/15/1078450515.db2.gz VLPPQJMSXRVJHB-OAHLLOKOSA-N 1 0 357.410 2.683 20 5 FFBDRO CCc1cc(NC(=O)C2([NH3+])CC3(CCC3)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC001578248243 1078455287 /nfs/dbraw/zinc/45/52/87/1078455287.db2.gz WHFXXSCEIMYKRI-UHFFFAOYSA-N 1 0 354.410 2.727 20 5 FFBDRO C[NH2+][C@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC2CC2)C1 ZINC001578596835 1078497821 /nfs/dbraw/zinc/49/78/21/1078497821.db2.gz RGOXJWPYZUASPR-INIZCTEOSA-N 1 0 370.457 2.842 20 5 FFBDRO C[NH2+][C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2CCCC2)C1 ZINC001578610537 1078502103 /nfs/dbraw/zinc/50/21/03/1078502103.db2.gz MDJIKMODXBUJTE-INIZCTEOSA-N 1 0 370.457 2.842 20 5 FFBDRO C[NH2+]CC[C@@H]1CCCCN1C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC001578675914 1078516049 /nfs/dbraw/zinc/51/60/49/1078516049.db2.gz WBAAGFUUPKGMNA-VIFPVBQESA-N 1 0 358.801 2.574 20 5 FFBDRO Cc1nn(C)c(N[C@H]2CC3(CC[NH2+]CC3)Oc3ccccc32)c1[N+](=O)[O-] ZINC001579891465 1078709287 /nfs/dbraw/zinc/70/92/87/1078709287.db2.gz MSIMAPDUPLCELU-AWEZNQCLSA-N 1 0 357.414 2.695 20 5 FFBDRO [NH3+]C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12)c1ccc(F)cc1 ZINC001580215195 1078766866 /nfs/dbraw/zinc/76/68/66/1078766866.db2.gz DSTHOLHHPLQQDC-CQSZACIVSA-N 1 0 354.341 2.963 20 5 FFBDRO [NH3+]CCc1ccc(CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)cc1 ZINC001580314498 1078786093 /nfs/dbraw/zinc/78/60/93/1078786093.db2.gz PSHOMKLCWYNGIJ-UHFFFAOYSA-N 1 0 350.378 2.574 20 5 FFBDRO [NH3+][C@@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC2CC2)C1 ZINC001580373155 1078793517 /nfs/dbraw/zinc/79/35/17/1078793517.db2.gz SIVFEUZWQWUSPL-OAHLLOKOSA-N 1 0 356.430 2.581 20 5 FFBDRO O=C(c1cc(C(F)(F)F)ccc1[N+](=O)[O-])N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001580811627 1078869187 /nfs/dbraw/zinc/86/91/87/1078869187.db2.gz UYPNCNSHTHFWAJ-HNNXBMFYSA-N 1 0 357.332 2.829 20 5 FFBDRO O=[N+]([O-])c1ccccc1CN(Cc1ccc(N2CC[NH2+]CC2)o1)C1CC1 ZINC001580875162 1078882293 /nfs/dbraw/zinc/88/22/93/1078882293.db2.gz BUEQZZSIHIHQKA-UHFFFAOYSA-N 1 0 356.426 2.762 20 5 FFBDRO Nc1c(Cl)cc(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC001583145779 1079170600 /nfs/dbraw/zinc/17/06/00/1079170600.db2.gz UCQJEYMCEKGFPA-STQMWFEESA-N 1 0 352.822 2.577 20 5 FFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@]2(C)C[N@H+](C)C[C@]2(C)C1 ZINC001557740127 1075882720 /nfs/dbraw/zinc/88/27/20/1075882720.db2.gz DIGIGJPETBVUMM-DOPJRALCSA-N 1 0 363.483 2.876 20 5 FFBDRO Cc1cccc(C[N@H+]2CC[C@H](NC(=O)c3[nH]nc(C(C)C)c3[N+](=O)[O-])C2)c1 ZINC001557759643 1075885362 /nfs/dbraw/zinc/88/53/62/1075885362.db2.gz BIVQONSKYAQROW-HNNXBMFYSA-N 1 0 371.441 2.754 20 5 FFBDRO Cc1c(CC(=O)N2CC3(C2)C[NH+](Cc2ccccc2)C3)cccc1[N+](=O)[O-] ZINC001557924608 1075912595 /nfs/dbraw/zinc/91/25/95/1075912595.db2.gz FQSLDQDYXUTSMT-UHFFFAOYSA-N 1 0 365.433 2.790 20 5 FFBDRO COc1cc(C(=O)N2CC3(C2)C[NH+](Cc2ccccc2)C3)ccc1[N+](=O)[O-] ZINC001557924319 1075912665 /nfs/dbraw/zinc/91/26/65/1075912665.db2.gz AXNYACQFUFLJEU-UHFFFAOYSA-N 1 0 367.405 2.561 20 5 FFBDRO CC(C)OC(=O)C[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C(C)C ZINC001559949840 1076205551 /nfs/dbraw/zinc/20/55/51/1076205551.db2.gz NPHYPFYHPQDQSA-HNNXBMFYSA-N 1 0 365.430 2.879 20 5 FFBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H]2CCOC23CCCC3)c([N+](=O)[O-])c1 ZINC001560208468 1076247361 /nfs/dbraw/zinc/24/73/61/1076247361.db2.gz GLKHAVZSROEXJO-LRDDRELGSA-N 1 0 363.414 2.622 20 5 FFBDRO CC(=O)NC1CCC([NH2+]Cc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC001560490258 1076275653 /nfs/dbraw/zinc/27/56/53/1076275653.db2.gz QEQOSDIJGNTHIU-UHFFFAOYSA-N 1 0 370.247 2.894 20 5 FFBDRO Cc1ccc(CN2CCO[C@@H](C[NH2+]Cc3cccc([N+](=O)[O-])c3)C2)cc1 ZINC001560561569 1076280093 /nfs/dbraw/zinc/28/00/93/1076280093.db2.gz SHPHSFAUFQMEOW-FQEVSTJZSA-N 1 0 355.438 2.894 20 5 FFBDRO CCc1noc([C@@H]2CC[C@@H]([NH2+]Cc3cc(OC)c(O)cc3[N+](=O)[O-])C2)n1 ZINC001560608770 1076283347 /nfs/dbraw/zinc/28/33/47/1076283347.db2.gz DNQXMPIUTZNVIM-ZYHUDNBSSA-N 1 0 362.386 2.680 20 5 FFBDRO CC(=Cc1cccc([N+](=O)[O-])c1)C[NH2+]Cc1nc(-c2ccccn2)n[nH]1 ZINC001560833256 1076303488 /nfs/dbraw/zinc/30/34/88/1076303488.db2.gz DIKLXWCRFYJJRO-UKTHLTGXSA-N 1 0 350.382 2.968 20 5 FFBDRO COc1c(O)ccc(C[NH2+][C@@](C)(CO)Cc2ccc(F)cc2)c1[N+](=O)[O-] ZINC001560954668 1076313802 /nfs/dbraw/zinc/31/38/02/1076313802.db2.gz YVDSSPDKBUUPBM-GOSISDBHSA-N 1 0 364.373 2.531 20 5 FFBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC001561849267 1076433736 /nfs/dbraw/zinc/43/37/36/1076433736.db2.gz IRVKRBYLUXBPDH-UHFFFAOYSA-N 1 0 373.450 2.584 20 5 FFBDRO CC[NH+](CC)CC[C@@H](C)NS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC001562033974 1076471328 /nfs/dbraw/zinc/47/13/28/1076471328.db2.gz GJZNXKDKAVUUGV-CQSZACIVSA-N 1 0 357.476 2.610 20 5 FFBDRO CN(C(=O)c1ccc([N+](=O)[O-])cc1N)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001566364207 1076951521 /nfs/dbraw/zinc/95/15/21/1076951521.db2.gz IAQZXTFIVKSVRL-MRXNPFEDSA-N 1 0 354.410 2.524 20 5 FFBDRO C[N@H+](CC/C=C/c1ccccc1)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001567746939 1077050479 /nfs/dbraw/zinc/05/04/79/1077050479.db2.gz RKBMDRCBMOQZHQ-PEABSYDSSA-N 1 0 371.481 2.926 20 5 FFBDRO COC(=O)c1cc(NC(=O)c2ccc(C[NH+]3CCCC3)o2)cc([N+](=O)[O-])c1 ZINC001586796316 1079687103 /nfs/dbraw/zinc/68/71/03/1079687103.db2.gz YRQQGRKGSNMJED-UHFFFAOYSA-N 1 0 373.365 2.823 20 5 FFBDRO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC001587574554 1079818102 /nfs/dbraw/zinc/81/81/02/1079818102.db2.gz PGMIVXNPIMYJKH-UHFFFAOYSA-N 1 0 367.421 2.615 20 5 FFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001587763422 1079858569 /nfs/dbraw/zinc/85/85/69/1079858569.db2.gz MMNJDKQRDKOSAE-KGLIPLIRSA-N 1 0 351.834 2.876 20 5 FFBDRO CC(C)C[N@@H+]1CCC[C@H](CNc2cc(-c3nn[nH]n3)ccc2[N+](=O)[O-])C1 ZINC001589629849 1080642297 /nfs/dbraw/zinc/64/22/97/1080642297.db2.gz KHORDCGHAAJGJO-CYBMUJFWSA-N 1 0 359.434 2.555 20 5 FFBDRO C[C@@H]([NH2+][C@H]1Cc2ccc(-c3nn[nH]n3)cc2C1)c1c(F)cccc1[N+](=O)[O-] ZINC001589953536 1080900236 /nfs/dbraw/zinc/90/02/36/1080900236.db2.gz FSUJXDIZRNQVGO-YGRLFVJLSA-N 1 0 368.372 2.732 20 5 FFBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC001590226598 1081107310 /nfs/dbraw/zinc/10/73/10/1081107310.db2.gz DMHWNHPAEUULGD-NFAWXSAZSA-N 1 0 371.445 2.617 20 5 FFBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC001590227453 1081108274 /nfs/dbraw/zinc/10/82/74/1081108274.db2.gz OZFFPCNJZRFHMY-NFAWXSAZSA-N 1 0 371.445 2.617 20 5 FFBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(c2ccc(-c3nn[nH]n3)c([N+](=O)[O-])c2)C1 ZINC001590227875 1081108334 /nfs/dbraw/zinc/10/83/34/1081108334.db2.gz TYEXLYDSSSQAKE-NFAWXSAZSA-N 1 0 371.445 2.617 20 5 FFBDRO Cc1sc(C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)cc1[N+](=O)[O-] ZINC000057274034 205237582 /nfs/dbraw/zinc/23/75/82/205237582.db2.gz MWZLLFGSTBACEO-UHFFFAOYSA-N 1 0 374.466 2.964 20 5 FFBDRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000057156391 249580995 /nfs/dbraw/zinc/58/09/95/249580995.db2.gz DTPKRPXDKYOKLR-LBPRGKRZSA-N 1 0 352.391 2.743 20 5 FFBDRO Cn1cc(CN2CC[C@@H]([NH+]3CCCC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000092756166 250000914 /nfs/dbraw/zinc/00/09/14/250000914.db2.gz HDUOTARCIFJHGN-GOSISDBHSA-N 1 0 355.442 2.665 20 5 FFBDRO COc1cc(C[N@H+](C)CC(C)(C)O)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000093414553 250034276 /nfs/dbraw/zinc/03/42/76/250034276.db2.gz FPGZGEGQVHEZIK-UHFFFAOYSA-N 1 0 366.336 2.747 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000093910506 250051069 /nfs/dbraw/zinc/05/10/69/250051069.db2.gz HQSIOKXVZBKDGY-GASCZTMLSA-N 1 0 363.458 2.749 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])o1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000101531673 250075032 /nfs/dbraw/zinc/07/50/32/250075032.db2.gz XGQCZEKQSCQYPW-UHFFFAOYSA-N 1 0 357.410 2.969 20 5 FFBDRO CCCNC(=O)CN1CCC([NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000153468726 251141099 /nfs/dbraw/zinc/14/10/99/251141099.db2.gz WVDDQCOVBWTGPB-OAHLLOKOSA-N 1 0 362.474 2.544 20 5 FFBDRO Cc1cc(N2CCC[C@H](S(C)(=O)=O)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000409674347 512122066 /nfs/dbraw/zinc/12/20/66/512122066.db2.gz BRTKAUDAPKMOHZ-AWEZNQCLSA-N 1 0 363.439 2.855 20 5 FFBDRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000267707924 251356510 /nfs/dbraw/zinc/35/65/10/251356510.db2.gz IJHLSGDJRJJAIX-UHFFFAOYSA-N 1 0 351.325 2.924 20 5 FFBDRO O=[N+]([O-])c1ccc(Br)cc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000268837114 251397514 /nfs/dbraw/zinc/39/75/14/251397514.db2.gz UTFJJMNDDYZXSN-LBPRGKRZSA-N 1 0 370.247 2.516 20 5 FFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](O)C1CCOCC1 ZINC000271430672 251790935 /nfs/dbraw/zinc/79/09/35/251790935.db2.gz BXLGIQUWBFVHJJ-GOEBONIOSA-N 1 0 354.472 2.843 20 5 FFBDRO CCC[N@@H+]1CC[C@@H](CN[C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000272493737 252051616 /nfs/dbraw/zinc/05/16/16/252051616.db2.gz FINBPQBHNFXJQE-MAUKXSAKSA-N 1 0 357.458 2.739 20 5 FFBDRO CS[C@H]1CN(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)C[C@H]1[NH+](C)C ZINC000272625299 252084060 /nfs/dbraw/zinc/08/40/60/252084060.db2.gz VPHMIHHSDDZAOR-KGLIPLIRSA-N 1 0 352.460 2.721 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)cc1SC ZINC000272625324 252084258 /nfs/dbraw/zinc/08/42/58/252084258.db2.gz APXATACKJWAVFU-NSHDSACASA-N 1 0 365.455 2.706 20 5 FFBDRO C[C@@H](Cc1ccc(F)cc1)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000272914816 252163672 /nfs/dbraw/zinc/16/36/72/252163672.db2.gz HEXBBITZLNOVQV-ZDUSSCGKSA-N 1 0 366.414 2.728 20 5 FFBDRO C[NH+]1CCC(C)(CNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000272916592 252163853 /nfs/dbraw/zinc/16/38/53/252163853.db2.gz DTBMYTVPTONJSQ-UHFFFAOYSA-N 1 0 369.849 2.865 20 5 FFBDRO Cn1cc(C[NH+]2CCC(CCCO)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000272983196 252182761 /nfs/dbraw/zinc/18/27/61/252182761.db2.gz VBHPWTVLAVRIKY-UHFFFAOYSA-N 1 0 358.442 2.980 20 5 FFBDRO C[C@@H](NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)C1=CC[N@H+](C)CC1 ZINC000272954835 252174366 /nfs/dbraw/zinc/17/43/66/252174366.db2.gz MZCLSNAQFXWKIW-CQSZACIVSA-N 1 0 358.442 2.919 20 5 FFBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1cnn(C)c1 ZINC000273272064 252269439 /nfs/dbraw/zinc/26/94/39/252269439.db2.gz GTJCYBIUKWJHTM-ZJUUUORDSA-N 1 0 351.794 2.660 20 5 FFBDRO C[C@H]([NH2+][C@@H](C)c1cnn(C)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000273257082 252265863 /nfs/dbraw/zinc/26/58/63/252265863.db2.gz CWUWXJADJKRSKJ-UWVGGRQHSA-N 1 0 351.794 2.660 20 5 FFBDRO C[NH+](C)Cc1ccsc1C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000276359329 256093081 /nfs/dbraw/zinc/09/30/81/256093081.db2.gz PFGOZRBKOKPUNS-UHFFFAOYSA-N 1 0 361.423 2.621 20 5 FFBDRO C[C@@H]1CCCC[N@@H+]1CCCNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000276089072 256071720 /nfs/dbraw/zinc/07/17/20/256071720.db2.gz PWGKVBJFHFMZCI-CYBMUJFWSA-N 1 0 355.460 2.675 20 5 FFBDRO CCOc1cc(C[NH+]2CCC(C3(C)OCCO3)CC2)ccc1[N+](=O)[O-] ZINC000276844964 256135824 /nfs/dbraw/zinc/13/58/24/256135824.db2.gz CXTOPSXTCKKRRM-UHFFFAOYSA-N 1 0 350.415 2.969 20 5 FFBDRO C[C@H]([NH2+]C1CCN(S(=O)(=O)C(C)(C)C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000276850094 256136377 /nfs/dbraw/zinc/13/63/77/256136377.db2.gz DNEWZKWGGZABGC-ZDUSSCGKSA-N 1 0 369.487 2.838 20 5 FFBDRO CCOc1cc(C[N@@H+]2CCOCC3(CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000276982760 256149388 /nfs/dbraw/zinc/14/93/88/256149388.db2.gz YPPUGMMFJPSGSS-UHFFFAOYSA-N 1 0 350.415 2.623 20 5 FFBDRO C[C@H]1C[N@H+](CCCNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCCO1 ZINC000277185204 256170093 /nfs/dbraw/zinc/17/00/93/256170093.db2.gz HOEHUWRJMCMTFI-LBPRGKRZSA-N 1 0 370.837 2.871 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000277347536 256187794 /nfs/dbraw/zinc/18/77/94/256187794.db2.gz ZGTBIVWLKDINBU-UHFFFAOYSA-N 1 0 370.409 2.645 20 5 FFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCN(c2ccnn2C)C1 ZINC000278163044 256283070 /nfs/dbraw/zinc/28/30/70/256283070.db2.gz APMNYIHHMIEFLJ-NVXWUHKLSA-N 1 0 357.458 2.908 20 5 FFBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]C3CCN(CC(F)(F)F)CC3)nc2c1 ZINC000278622955 256332079 /nfs/dbraw/zinc/33/20/79/256332079.db2.gz HKAMDFWDANFOFO-UHFFFAOYSA-N 1 0 357.336 2.587 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H](NC1CC[NH+]([C@H]3CCC[C@@H]3O)CC1)CCC2 ZINC000278688327 256338505 /nfs/dbraw/zinc/33/85/05/256338505.db2.gz KFRIXKDTCKGTKL-AABGKKOBSA-N 1 0 359.470 2.940 20 5 FFBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](Cc3cccnc3)CC2)c([N+](=O)[O-])c1 ZINC000278704641 256340116 /nfs/dbraw/zinc/34/01/16/256340116.db2.gz NKBRSQDVGUPIGB-UHFFFAOYSA-N 1 0 357.370 2.975 20 5 FFBDRO CC[N@H+](C)[C@H](C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccccc1 ZINC000278265812 256293108 /nfs/dbraw/zinc/29/31/08/256293108.db2.gz YPVVZHVIFLRMHU-SFHVURJKSA-N 1 0 367.409 2.780 20 5 FFBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCC1CC[NH+](C2CC2)CC1 ZINC000279143597 256386228 /nfs/dbraw/zinc/38/62/28/256386228.db2.gz YPHAOVOLYXXULY-UHFFFAOYSA-N 1 0 356.426 2.609 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)[C@H](C)C1 ZINC000279388509 256411355 /nfs/dbraw/zinc/41/13/55/256411355.db2.gz IOUVZFKQKOMXMU-DOMZBBRYSA-N 1 0 366.437 2.602 20 5 FFBDRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C)C1 ZINC000283427150 256874301 /nfs/dbraw/zinc/87/43/01/256874301.db2.gz HCWMJRMPLWSAFV-CQSZACIVSA-N 1 0 358.446 2.558 20 5 FFBDRO C[C@@H]([NH2+]Cc1ccnc(OC2CCOCC2)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284046132 256911219 /nfs/dbraw/zinc/91/12/19/256911219.db2.gz KBHSDXHRDYCBIY-CYBMUJFWSA-N 1 0 372.425 2.981 20 5 FFBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000288200448 257159900 /nfs/dbraw/zinc/15/99/00/257159900.db2.gz CMDUAHYSMXLYEE-WBVHZDCISA-N 1 0 372.469 2.894 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CC[C@@](CO)(Cc3ccc(F)cc3)C2)c1 ZINC000288680383 257217758 /nfs/dbraw/zinc/21/77/58/257217758.db2.gz CRJXSCPJMDHXTE-WOJBJXKFSA-N 1 0 374.412 2.694 20 5 FFBDRO C[C@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000288701448 257219384 /nfs/dbraw/zinc/21/93/84/257219384.db2.gz YPVZJCLYEBTYKG-SMDDNHRTSA-N 1 0 366.464 2.846 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000289236103 257267957 /nfs/dbraw/zinc/26/79/57/257267957.db2.gz MLHLEUQGDDUAEG-OAHLLOKOSA-N 1 0 368.231 2.573 20 5 FFBDRO COc1ccc(C[C@](C)(O)C[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1OC ZINC000289746862 257296855 /nfs/dbraw/zinc/29/68/55/257296855.db2.gz HYNKKYDPHFMQHM-IBGZPJMESA-N 1 0 360.410 2.695 20 5 FFBDRO Cc1cnn([C@H]2CC[N@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3C)C2)c1 ZINC000289785864 257299480 /nfs/dbraw/zinc/29/94/80/257299480.db2.gz HLCZZDNPEOSZAW-INIZCTEOSA-N 1 0 357.414 2.684 20 5 FFBDRO COc1cc(C[NH2+]C[C@]2(C)OCCc3sccc32)c([N+](=O)[O-])cc1O ZINC000289864844 257303671 /nfs/dbraw/zinc/30/36/71/257303671.db2.gz QPSQJPHNJTWEPE-KRWDZBQOSA-N 1 0 364.423 2.948 20 5 FFBDRO CC[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CCOC(C)(C)C1 ZINC000289889419 257304926 /nfs/dbraw/zinc/30/49/26/257304926.db2.gz RVWXQYINTWCUKC-HOTGVXAUSA-N 1 0 352.431 2.614 20 5 FFBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@H](n2cc(Cl)cn2)C1 ZINC000289943597 257307821 /nfs/dbraw/zinc/30/78/21/257307821.db2.gz PSNLKGRIIAETDU-NHYWBVRUSA-N 1 0 363.805 2.719 20 5 FFBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000290546220 257340285 /nfs/dbraw/zinc/34/02/85/257340285.db2.gz ORIGTMHQYFMPFY-FZMZJTMJSA-N 1 0 362.386 2.510 20 5 FFBDRO COCCCN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CC[NH+](C)CC1 ZINC000291518456 257407953 /nfs/dbraw/zinc/40/79/53/257407953.db2.gz XSPBULQGWBNOBE-UHFFFAOYSA-N 1 0 369.849 2.821 20 5 FFBDRO CCOc1cc(C[NH2+][C@@H](C(N)=O)[C@@H](C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000292152787 257465176 /nfs/dbraw/zinc/46/51/76/257465176.db2.gz KHZNKVFTJLKMFZ-SCLBCKFNSA-N 1 0 357.410 2.741 20 5 FFBDRO C[C@H]1CN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC[N@@H+](C2CCC2)C1 ZINC000292457368 257496260 /nfs/dbraw/zinc/49/62/60/257496260.db2.gz ZRBQQOZZWYTIMV-GFCCVEGCSA-N 1 0 357.414 2.554 20 5 FFBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000301109712 258026253 /nfs/dbraw/zinc/02/62/53/258026253.db2.gz SCVHEPWTLFHNJR-MCIONIFRSA-N 1 0 369.487 2.777 20 5 FFBDRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000301131401 258027891 /nfs/dbraw/zinc/02/78/91/258027891.db2.gz RVPADTCFRFRUID-HUUCEWRRSA-N 1 0 350.438 2.729 20 5 FFBDRO O=C1[C@H](N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCN1c1ccccc1 ZINC000301214204 258034546 /nfs/dbraw/zinc/03/45/46/258034546.db2.gz YEMLJHWULBZWMQ-LJQANCHMSA-N 1 0 366.421 2.522 20 5 FFBDRO Cn1ccnc1C(=O)c1ccc(NCC[NH+]2CCCCCC2)c([N+](=O)[O-])c1 ZINC000301231946 258035840 /nfs/dbraw/zinc/03/58/40/258035840.db2.gz FVOAUNYQUPFAPZ-UHFFFAOYSA-N 1 0 371.441 2.847 20 5 FFBDRO Cc1cc(N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)ccc1[N+](=O)[O-] ZINC000301265280 258038478 /nfs/dbraw/zinc/03/84/78/258038478.db2.gz FCPAYMXDQVJWHA-INIZCTEOSA-N 1 0 355.442 2.921 20 5 FFBDRO CCOCC[NH2+]Cc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000299590434 258007743 /nfs/dbraw/zinc/00/77/43/258007743.db2.gz FNCXMIGKUXBHFT-UHFFFAOYSA-N 1 0 352.309 2.671 20 5 FFBDRO CC[NH+]1CCN([C@H](C)CNc2cc(C)nc3c2cccc3[N+](=O)[O-])CC1 ZINC000302047124 258083889 /nfs/dbraw/zinc/08/38/89/258083889.db2.gz YRGVETCRLCELEX-OAHLLOKOSA-N 1 0 357.458 2.889 20 5 FFBDRO C[C@@H]([NH2+]C1(CNc2ncc([N+](=O)[O-])cn2)CCOCC1)c1ccccc1 ZINC000302138595 258090491 /nfs/dbraw/zinc/09/04/91/258090491.db2.gz CMXIGQKYARGWKV-CQSZACIVSA-N 1 0 357.414 2.697 20 5 FFBDRO C[C@@H](C[NH+]1CCCCCC1)Nc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000302466579 258102709 /nfs/dbraw/zinc/10/27/09/258102709.db2.gz VXKHSZHRAWLNHC-ZDUSSCGKSA-N 1 0 355.460 2.675 20 5 FFBDRO COC(=O)c1cnc(N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000302749515 258109730 /nfs/dbraw/zinc/10/97/30/258109730.db2.gz GRQRHRXGLSQSBX-FRRDWIJNSA-N 1 0 350.419 2.555 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1C[C@@H](CC[NH3+])c2ccccc21 ZINC000327252995 258116266 /nfs/dbraw/zinc/11/62/66/258116266.db2.gz ABYVMAXTJJCPOF-CYBMUJFWSA-N 1 0 361.423 2.545 20 5 FFBDRO Cc1cc(N[C@@H](C)C[NH+]2CCN(c3ccccc3)CC2)ncc1[N+](=O)[O-] ZINC000301417144 258048202 /nfs/dbraw/zinc/04/82/02/258048202.db2.gz CJZNDDQZNKBXHK-INIZCTEOSA-N 1 0 355.442 2.921 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)c2ncc([N+](=O)[O-])cc2Br)[C@H](C)C1 ZINC000301578374 258056738 /nfs/dbraw/zinc/05/67/38/258056738.db2.gz ZLROTUNCPGZIMM-ZWNOBZJWSA-N 1 0 357.252 2.919 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])c(N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1Cl ZINC000301732619 258065223 /nfs/dbraw/zinc/06/52/23/258065223.db2.gz YRRTXMKILAAHQJ-BXUZGUMPSA-N 1 0 367.833 2.955 20 5 FFBDRO CC[C@@H]1CCCCN1CCNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000301887639 258072963 /nfs/dbraw/zinc/07/29/63/258072963.db2.gz MUNPFFYWBQJLNB-CYBMUJFWSA-N 1 0 355.460 2.675 20 5 FFBDRO CCC[NH+]1CCC(CNc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000301906703 258074549 /nfs/dbraw/zinc/07/45/49/258074549.db2.gz ZGGRTLKPXJEBEP-UHFFFAOYSA-N 1 0 355.460 2.532 20 5 FFBDRO CCN1CC[NH+]([C@H]2CCN(c3cc(C)nc4c3cccc4[N+](=O)[O-])C2)CC1 ZINC000301984810 258080451 /nfs/dbraw/zinc/08/04/51/258080451.db2.gz CHKUCLQDBDSVCQ-INIZCTEOSA-N 1 0 369.469 2.668 20 5 FFBDRO O=[N+]([O-])c1cnc2ccc(NC[C@H]3CCC[N@@H+]3Cc3ccccc3)nn21 ZINC000302011206 258081692 /nfs/dbraw/zinc/08/16/92/258081692.db2.gz WIXTXOOLZPCLKD-OAHLLOKOSA-N 1 0 352.398 2.714 20 5 FFBDRO CC(C)c1ccc(C[NH2+][C@@H]2CCCC[C@@H]2NS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000331023908 258175383 /nfs/dbraw/zinc/17/53/83/258175383.db2.gz RWHWGGNYOGLGIZ-CVEARBPZSA-N 1 0 369.487 2.668 20 5 FFBDRO CS[C@H]1CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000332069345 258212495 /nfs/dbraw/zinc/21/24/95/258212495.db2.gz BBMSSMDOCCXUOB-KGLIPLIRSA-N 1 0 369.874 2.900 20 5 FFBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000332081535 258212993 /nfs/dbraw/zinc/21/29/93/258212993.db2.gz MFTSQKKIYPGJOT-KRWDZBQOSA-N 1 0 374.485 2.802 20 5 FFBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000332081536 258213099 /nfs/dbraw/zinc/21/30/99/258213099.db2.gz MFTSQKKIYPGJOT-QGZVFWFLSA-N 1 0 374.485 2.802 20 5 FFBDRO C[C@H]1CCCN(c2ccc(C(=O)N3CCC[C@H]3C[NH+](C)C)cc2[N+](=O)[O-])C1 ZINC000332408094 258229370 /nfs/dbraw/zinc/22/93/70/258229370.db2.gz DFMYYZPXSPUGOF-RDJZCZTQSA-N 1 0 374.485 2.997 20 5 FFBDRO Cc1n[nH]c(C(=O)N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)c1[N+](=O)[O-] ZINC000332453418 258231006 /nfs/dbraw/zinc/23/10/06/258231006.db2.gz GMAHWCWWGKZQNN-CYBMUJFWSA-N 1 0 363.462 2.743 20 5 FFBDRO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCC([NH+]2CCCCC2)CC1 ZINC000332574041 258236138 /nfs/dbraw/zinc/23/61/38/258236138.db2.gz ZWNHXWZIHXPEDE-UHFFFAOYSA-N 1 0 367.396 2.892 20 5 FFBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000331721241 258197896 /nfs/dbraw/zinc/19/78/96/258197896.db2.gz SRKRZLNUWJEYBO-CQSZACIVSA-N 1 0 358.442 2.738 20 5 FFBDRO CC(C)C(=O)N1CCC([NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000331846479 258202533 /nfs/dbraw/zinc/20/25/33/258202533.db2.gz CFPNZUCUQHHHKW-CVEARBPZSA-N 1 0 363.462 2.512 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCCn2cc(C)nc21 ZINC000366721505 512156890 /nfs/dbraw/zinc/15/68/90/512156890.db2.gz VJTXYMYXUMQEPE-GFCCVEGCSA-N 1 0 359.386 2.807 20 5 FFBDRO C[NH+](C)C[C@H]1CCCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000268225190 509824139 /nfs/dbraw/zinc/82/41/39/509824139.db2.gz XHYZCRMWYOSJNG-SNVBAGLBSA-N 1 0 374.210 2.663 20 5 FFBDRO O=C(COc1cccc([N+](=O)[O-])c1)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000032401641 506247796 /nfs/dbraw/zinc/24/77/96/506247796.db2.gz ZLPVAWALOWCBGF-UHFFFAOYSA-N 1 0 369.421 2.538 20 5 FFBDRO CC[C@@H](CNC(=O)c1cc([N+](=O)[O-])cn1C)[N@@H+]1CCc2ccccc2C1 ZINC000032447133 506255456 /nfs/dbraw/zinc/25/54/56/506255456.db2.gz XWYHYVSADLQNFU-INIZCTEOSA-N 1 0 356.426 2.500 20 5 FFBDRO C[NH+](C)Cc1ccccc1CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000065836350 506375503 /nfs/dbraw/zinc/37/55/03/506375503.db2.gz NNAHVDPWZMBATG-UHFFFAOYSA-N 1 0 366.421 2.928 20 5 FFBDRO CC[NH+](CC)C[C@H](C)NS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000440079258 513242704 /nfs/dbraw/zinc/24/27/04/513242704.db2.gz XCARBWHVDUIQJJ-JTQLQIEISA-N 1 0 363.867 2.565 20 5 FFBDRO CNC(=O)c1ccc(NC[C@H](c2cccc(F)c2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000053550518 506401602 /nfs/dbraw/zinc/40/16/02/506401602.db2.gz UAZRBCHHTSJDNR-QGZVFWFLSA-N 1 0 360.389 2.808 20 5 FFBDRO Cc1ccc(NC(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000043147972 506709231 /nfs/dbraw/zinc/70/92/31/506709231.db2.gz LPBKKJLWPOMPHX-KBPBESRZSA-N 1 0 350.419 2.524 20 5 FFBDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000043342984 506735225 /nfs/dbraw/zinc/73/52/25/506735225.db2.gz MWDVDGIAWXVIPT-CYBMUJFWSA-N 1 0 370.837 2.727 20 5 FFBDRO COc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000010448456 506742349 /nfs/dbraw/zinc/74/23/49/506742349.db2.gz RWUXILJSOSKYIR-INIZCTEOSA-N 1 0 355.394 2.608 20 5 FFBDRO CCN(C(=O)c1n[nH]cc1[N+](=O)[O-])[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000367020000 512299449 /nfs/dbraw/zinc/29/94/49/512299449.db2.gz KURRFUNJGPHZHA-UKRRQHHQSA-N 1 0 357.414 2.616 20 5 FFBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000043885315 506796412 /nfs/dbraw/zinc/79/64/12/506796412.db2.gz MPUVHBVRYGMRIR-UHFFFAOYSA-N 1 0 356.426 2.998 20 5 FFBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000067536292 506914698 /nfs/dbraw/zinc/91/46/98/506914698.db2.gz WXNBGAVNUZAVFT-QGZVFWFLSA-N 1 0 354.410 2.669 20 5 FFBDRO CNC(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000056196323 506959814 /nfs/dbraw/zinc/95/98/14/506959814.db2.gz CLYWQBLBRKUQOG-STQMWFEESA-N 1 0 370.409 2.632 20 5 FFBDRO CN(CC[N@H+](C)C1CCCCC1)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000067711093 506985226 /nfs/dbraw/zinc/98/52/26/506985226.db2.gz OOZOEMDUAGYCSL-UHFFFAOYSA-N 1 0 369.487 2.699 20 5 FFBDRO C[NH+](C)CCOc1cccc(CNC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000045814598 507025977 /nfs/dbraw/zinc/02/59/77/507025977.db2.gz XZSWALQIXBIHNZ-UHFFFAOYSA-N 1 0 358.398 2.857 20 5 FFBDRO COc1ccc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000015582585 507049728 /nfs/dbraw/zinc/04/97/28/507049728.db2.gz CYJBIHJRCUALST-UHFFFAOYSA-N 1 0 369.421 2.998 20 5 FFBDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000068085106 507104655 /nfs/dbraw/zinc/10/46/55/507104655.db2.gz IJYJWKHHQABEEK-CYBMUJFWSA-N 1 0 359.430 2.713 20 5 FFBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000068129755 507122682 /nfs/dbraw/zinc/12/26/82/507122682.db2.gz VQPLFRWZXGNCCV-CHWSQXEVSA-N 1 0 366.437 2.804 20 5 FFBDRO CN1CCC([N@@H+]2CC[C@@H](Nc3ccc4ncccc4c3[N+](=O)[O-])C2)CC1 ZINC000369269019 512321716 /nfs/dbraw/zinc/32/17/16/512321716.db2.gz VCSFWQYZYXFMKC-CQSZACIVSA-N 1 0 355.442 2.723 20 5 FFBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000068467931 507242631 /nfs/dbraw/zinc/24/26/31/507242631.db2.gz XCVOPYCIEMLTPM-KRWDZBQOSA-N 1 0 356.426 2.636 20 5 FFBDRO Cn1cc(C[N@@H+]2CC[C@H]([C@H]3CCOC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000371328812 512333212 /nfs/dbraw/zinc/33/32/12/512333212.db2.gz ZGRFKVMFUPHXBK-HOTGVXAUSA-N 1 0 356.426 2.854 20 5 FFBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000047623464 507366573 /nfs/dbraw/zinc/36/65/73/507366573.db2.gz MLADTFHERIHXJF-KRWDZBQOSA-N 1 0 369.421 2.754 20 5 FFBDRO O=[N+]([O-])c1cc(CN2CCC[C@@H]2C[NH+]2CCCCC2)c2c(c1)COCO2 ZINC000069078306 507398471 /nfs/dbraw/zinc/39/84/71/507398471.db2.gz WXSVQEFYYHODJH-QGZVFWFLSA-N 1 0 361.442 2.912 20 5 FFBDRO CN1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)Cc2ccccc21 ZINC000069090993 507406136 /nfs/dbraw/zinc/40/61/36/507406136.db2.gz GQHDOWGSCLNUHX-UHFFFAOYSA-N 1 0 354.410 2.875 20 5 FFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000047916731 507414339 /nfs/dbraw/zinc/41/43/39/507414339.db2.gz LGXJTDJTALVSPO-UONOGXRCSA-N 1 0 351.472 2.924 20 5 FFBDRO CCOc1ccc(C[N@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000026711958 507603396 /nfs/dbraw/zinc/60/33/96/507603396.db2.gz PDIYWEINBCXESH-KRWDZBQOSA-N 1 0 360.410 2.865 20 5 FFBDRO O=C(CCNc1ccccc1[N+](=O)[O-])Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000071038800 507686217 /nfs/dbraw/zinc/68/62/17/507686217.db2.gz GAOVZOCWZXGZAT-UHFFFAOYSA-N 1 0 352.354 2.616 20 5 FFBDRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000051380775 507766657 /nfs/dbraw/zinc/76/66/57/507766657.db2.gz WRRJTWMYYLAZNR-GFCCVEGCSA-N 1 0 358.423 2.685 20 5 FFBDRO Cc1c(C[N@@H+](C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)cccc1[N+](=O)[O-] ZINC000051563274 507775417 /nfs/dbraw/zinc/77/54/17/507775417.db2.gz BSAOYBYRPOSDFZ-ZDUSSCGKSA-N 1 0 363.439 2.744 20 5 FFBDRO CC(C)[C@@H]1C[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CCS1 ZINC000072836542 507860411 /nfs/dbraw/zinc/86/04/11/507860411.db2.gz BDOFWNAUHROGGK-INIZCTEOSA-N 1 0 365.455 2.966 20 5 FFBDRO CN(CC[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000107683271 507862715 /nfs/dbraw/zinc/86/27/15/507862715.db2.gz VAPZPLMDCZSRLS-UHFFFAOYSA-N 1 0 356.426 2.992 20 5 FFBDRO O=[N+]([O-])c1ccccc1OCC[N@H+](C[C@@H]1CCCO1)[C@@H]1CCSC1 ZINC000089952931 507890375 /nfs/dbraw/zinc/89/03/75/507890375.db2.gz XNJRZFVBNBUUJQ-CABCVRRESA-N 1 0 352.456 2.960 20 5 FFBDRO CC[NH+](CC)CCOC1CCN(C(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000073247314 507907208 /nfs/dbraw/zinc/90/72/08/507907208.db2.gz BJSUKPNQPKJSKP-UHFFFAOYSA-N 1 0 363.458 2.866 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCCN(c2cccnn2)C1 ZINC000109071185 507936090 /nfs/dbraw/zinc/93/60/90/507936090.db2.gz BOOHXHSUISGXQD-OAHLLOKOSA-N 1 0 357.414 2.542 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCN(CC(F)F)CC1 ZINC000091083003 507951688 /nfs/dbraw/zinc/95/16/88/507951688.db2.gz JZXJCQVPZOYNOK-UHFFFAOYSA-N 1 0 370.400 2.505 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N3CCC([NH+](C)C)CC3)cc2[N+](=O)[O-])C1 ZINC000073842803 507960834 /nfs/dbraw/zinc/96/08/34/507960834.db2.gz JUDCHNUKUXMNCP-OAHLLOKOSA-N 1 0 374.485 2.997 20 5 FFBDRO CCC[N@@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C1 ZINC000091457725 507987511 /nfs/dbraw/zinc/98/75/11/507987511.db2.gz DWAHGOGHLGBZFN-HNNXBMFYSA-N 1 0 360.458 2.975 20 5 FFBDRO C[C@H]1C[C@H](NC(=O)c2cccc([N+](=O)[O-])c2N)CC[N@@H+]1Cc1ccccc1 ZINC000079945111 508017804 /nfs/dbraw/zinc/01/78/04/508017804.db2.gz NHQZZPYMXFUOGZ-GOEBONIOSA-N 1 0 368.437 2.960 20 5 FFBDRO C[NH+](C)CCCOc1cccc(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000111108480 508071399 /nfs/dbraw/zinc/07/13/99/508071399.db2.gz NPJUTWQWUYUGIS-UHFFFAOYSA-N 1 0 358.398 2.760 20 5 FFBDRO CCOC(=O)[C@@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000092456115 508072286 /nfs/dbraw/zinc/07/22/86/508072286.db2.gz AXSDPRIGJFCDJE-OAHLLOKOSA-N 1 0 372.425 2.770 20 5 FFBDRO CCOc1cc(Sc2nnc(C3CC[NH2+]CC3)n2C)ccc1[N+](=O)[O-] ZINC000092655474 508091387 /nfs/dbraw/zinc/09/13/87/508091387.db2.gz OOBYRXJLNUNJHW-UHFFFAOYSA-N 1 0 363.443 2.740 20 5 FFBDRO CN1CC[C@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(F)cc1 ZINC000377652613 512378657 /nfs/dbraw/zinc/37/86/57/512378657.db2.gz OCLPWYXDJWVRDI-OTWHNJEPSA-N 1 0 359.401 2.802 20 5 FFBDRO CCCc1n[nH]c(C(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000111631059 508111850 /nfs/dbraw/zinc/11/18/50/508111850.db2.gz GETSJTWTWNZUPK-CYBMUJFWSA-N 1 0 359.430 2.521 20 5 FFBDRO C[C@@H](CCO)[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000093303083 508137052 /nfs/dbraw/zinc/13/70/52/508137052.db2.gz XTZBHVIPWZCHNU-INIZCTEOSA-N 1 0 371.437 2.831 20 5 FFBDRO CN(CC[C@H]1CCCC[N@@H+]1C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000075861424 508138424 /nfs/dbraw/zinc/13/84/24/508138424.db2.gz KKDFASREYRCHCG-OAHLLOKOSA-N 1 0 359.430 2.951 20 5 FFBDRO COc1ccc(-c2ccc(C[N@@H+]3CCC[C@H](CC(N)=O)C3)o2)c([N+](=O)[O-])c1 ZINC000093808898 508156383 /nfs/dbraw/zinc/15/63/83/508156383.db2.gz LYRLVYLUGISEHK-CYBMUJFWSA-N 1 0 373.409 2.951 20 5 FFBDRO CCc1nsc(N2CCC[N@H+](CCc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000076184898 508167351 /nfs/dbraw/zinc/16/73/51/508167351.db2.gz YERGJUUJNVPXIA-UHFFFAOYSA-N 1 0 361.471 2.764 20 5 FFBDRO CC(C)(C)C(=O)NC[C@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000112699498 508210624 /nfs/dbraw/zinc/21/06/24/508210624.db2.gz UXIFJKQREWSCOO-OAHLLOKOSA-N 1 0 363.458 2.848 20 5 FFBDRO Cc1c(NC(=O)CC[N@H+](CCO)CCc2ccccc2)cccc1[N+](=O)[O-] ZINC000112698553 508210714 /nfs/dbraw/zinc/21/07/14/508210714.db2.gz TVQGADUUUNZBCO-UHFFFAOYSA-N 1 0 371.437 2.769 20 5 FFBDRO CC(C)OCC[NH+]1CCC(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000081996833 508224094 /nfs/dbraw/zinc/22/40/94/508224094.db2.gz VFWZKLFUNCTEKL-BQYQJAHWSA-N 1 0 361.442 2.614 20 5 FFBDRO C[NH+](C)C[C@@H]1CCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000113450348 508268605 /nfs/dbraw/zinc/26/86/05/508268605.db2.gz MUWBNUXLWSKELZ-LBPRGKRZSA-N 1 0 360.439 2.742 20 5 FFBDRO C[NH+](C)CCN(Cc1cccs1)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000084250776 508271251 /nfs/dbraw/zinc/27/12/51/508271251.db2.gz VRLHGFMLQNNNOM-UHFFFAOYSA-N 1 0 363.439 2.626 20 5 FFBDRO COc1ccc(-c2ccc(C[NH2+]CCC(=O)NC(C)C)o2)c([N+](=O)[O-])c1 ZINC000102421358 508275088 /nfs/dbraw/zinc/27/50/88/508275088.db2.gz UKUYZARFJBBGNN-UHFFFAOYSA-N 1 0 361.398 2.868 20 5 FFBDRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000084365142 508275189 /nfs/dbraw/zinc/27/51/89/508275189.db2.gz RGNQECYAYWXACT-UHFFFAOYSA-N 1 0 368.437 2.914 20 5 FFBDRO C[NH+](C)[C@@H](CNC(=O)CCOc1ccccc1[N+](=O)[O-])c1cccs1 ZINC000077559976 508334801 /nfs/dbraw/zinc/33/48/01/508334801.db2.gz ADWRFNQNLFCDCZ-AWEZNQCLSA-N 1 0 363.439 2.844 20 5 FFBDRO CCOC(=O)c1ccnc(NC[C@@H](Cc2ccccc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000077903635 508390256 /nfs/dbraw/zinc/39/02/56/508390256.db2.gz OLCVDHLVWBKVBJ-OAHLLOKOSA-N 1 0 372.425 2.751 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)cc1SC ZINC000115438373 508394297 /nfs/dbraw/zinc/39/42/97/508394297.db2.gz OTAVYXZRLGDDGR-LBPRGKRZSA-N 1 0 367.471 2.739 20 5 FFBDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000156352358 508406450 /nfs/dbraw/zinc/40/64/50/508406450.db2.gz AYWUGWAQCQDHHM-NWDGAFQWSA-N 1 0 355.822 2.603 20 5 FFBDRO CC[N@@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000121795973 508420248 /nfs/dbraw/zinc/42/02/48/508420248.db2.gz ACTXZNVKGCZQNR-UHFFFAOYSA-N 1 0 356.220 2.525 20 5 FFBDRO Cc1c(CC(=O)NCc2ccc(C[NH+](C)C)c(F)c2)cccc1[N+](=O)[O-] ZINC000121907717 508445799 /nfs/dbraw/zinc/44/57/99/508445799.db2.gz VMSJZPRCODYLAL-UHFFFAOYSA-N 1 0 359.401 2.963 20 5 FFBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000115844516 508446217 /nfs/dbraw/zinc/44/62/17/508446217.db2.gz BYUXXTADPYHLQU-RBSFLKMASA-N 1 0 367.471 2.621 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000116420544 508511470 /nfs/dbraw/zinc/51/14/70/508511470.db2.gz YWFVNTWDKGMILI-MRXNPFEDSA-N 1 0 366.462 2.769 20 5 FFBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000157317794 508551868 /nfs/dbraw/zinc/55/18/68/508551868.db2.gz LOAVKESDIAXOQD-CZUORRHYSA-N 1 0 351.834 2.733 20 5 FFBDRO Cc1c(CC(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000128162765 508556429 /nfs/dbraw/zinc/55/64/29/508556429.db2.gz ZFMLQTAUBCUIMR-UHFFFAOYSA-N 1 0 359.401 2.833 20 5 FFBDRO CC(=O)c1ccc(NCc2ccnc(OCC[NH+](C)C)c2)c([N+](=O)[O-])c1 ZINC000135390735 508597460 /nfs/dbraw/zinc/59/74/60/508597460.db2.gz HZXQREVWABTMLS-UHFFFAOYSA-N 1 0 358.398 2.745 20 5 FFBDRO C[C@@H]1C[C@@H](N(C)C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000122946865 508612071 /nfs/dbraw/zinc/61/20/71/508612071.db2.gz SAQNOUSMISBFCF-OCCSQVGLSA-N 1 0 369.849 2.958 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000123046130 508627473 /nfs/dbraw/zinc/62/74/73/508627473.db2.gz GUHDFIKBSYWFMJ-CYBMUJFWSA-N 1 0 350.419 2.942 20 5 FFBDRO COc1ccc(OCC[N@H+](C)[C@H]2CCCc3c2cnn3C)c([N+](=O)[O-])c1 ZINC000135594002 508629379 /nfs/dbraw/zinc/62/93/79/508629379.db2.gz YYWACIFTAPMQDG-HNNXBMFYSA-N 1 0 360.414 2.725 20 5 FFBDRO COc1cc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000153757152 508643130 /nfs/dbraw/zinc/64/31/30/508643130.db2.gz YNCJMEADJBSSGQ-UHFFFAOYSA-N 1 0 369.421 2.998 20 5 FFBDRO CCCCNC(=O)[C@H]1CC[C@H](C)[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000153774751 508645562 /nfs/dbraw/zinc/64/55/62/508645562.db2.gz TWUUVTZSDWJKBG-ZVZYQTTQSA-N 1 0 363.458 2.645 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCS[C@@H](C)[C@@H]1C ZINC000118415712 508650512 /nfs/dbraw/zinc/65/05/12/508650512.db2.gz DAXZMQJOJIKWGS-RYUDHWBXSA-N 1 0 353.444 2.758 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H]1CCCC[C@H]1n1cccn1 ZINC000128934093 508661287 /nfs/dbraw/zinc/66/12/87/508661287.db2.gz WAOZLSXXRHUMIO-NVXWUHKLSA-N 1 0 357.414 2.812 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000153879536 508667929 /nfs/dbraw/zinc/66/79/29/508667929.db2.gz GADNDCIDOOZVQD-UHFFFAOYSA-N 1 0 354.838 2.724 20 5 FFBDRO CC[C@@](C)(COc1ncccc1Cl)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000136240283 508680591 /nfs/dbraw/zinc/68/05/91/508680591.db2.gz XSYAYQAAABKZND-HNNXBMFYSA-N 1 0 353.810 2.677 20 5 FFBDRO CCN1CCc2nc(NC(=O)c3cc(OC)ccc3[N+](=O)[O-])sc2C1 ZINC000129314706 508712019 /nfs/dbraw/zinc/71/20/19/508712019.db2.gz ALDXDDYZEKLKKR-UHFFFAOYSA-N 1 0 362.411 2.690 20 5 FFBDRO CC(C)C[N@@H+]1CCCC[C@H]1CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000119058029 508716737 /nfs/dbraw/zinc/71/67/37/508716737.db2.gz WTCRCVMXJQKHFU-ZDUSSCGKSA-N 1 0 359.430 2.754 20 5 FFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000119092649 508724386 /nfs/dbraw/zinc/72/43/86/508724386.db2.gz SNDIJVJYBPQAKX-OAHLLOKOSA-N 1 0 359.430 2.886 20 5 FFBDRO C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)C1([NH+]2CCOCC2)CCCC1 ZINC000129664969 508751879 /nfs/dbraw/zinc/75/18/79/508751879.db2.gz UKEBKIUCZROSIF-CQSZACIVSA-N 1 0 362.430 2.750 20 5 FFBDRO C[C@H]1CCCN(c2ccc(C(=O)NC3(C[NH3+])CCCC3)cc2[N+](=O)[O-])C1 ZINC000154304406 508756318 /nfs/dbraw/zinc/75/63/18/508756318.db2.gz HCEGYXORNUKJSJ-AWEZNQCLSA-N 1 0 360.458 2.832 20 5 FFBDRO COc1cc(C(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000137476547 508757155 /nfs/dbraw/zinc/75/71/55/508757155.db2.gz WLSZNRQAIHCRDW-RHSMWYFYSA-N 1 0 369.421 2.996 20 5 FFBDRO COc1ccc(C[NH2+]CCc2nc3cc(F)ccc3n2C)cc1[N+](=O)[O-] ZINC000123919583 508757831 /nfs/dbraw/zinc/75/78/31/508757831.db2.gz NRQAGCDBXQWZGF-UHFFFAOYSA-N 1 0 358.373 2.962 20 5 FFBDRO C[C@H]1CCCN(c2ccc(C(=O)NC[C@@H]3CCC[NH2+]C3)cc2[N+](=O)[O-])C1 ZINC000129798998 508767407 /nfs/dbraw/zinc/76/74/07/508767407.db2.gz QSQVZGGVEVXSEM-LSDHHAIUSA-N 1 0 360.458 2.561 20 5 FFBDRO O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NC[C@@H]1CCC[NH2+]C1 ZINC000129945768 508782484 /nfs/dbraw/zinc/78/24/84/508782484.db2.gz OAEAAHUPQQYJFW-LLVKDONJSA-N 1 0 374.363 2.531 20 5 FFBDRO CCCN(CC[NH+](CC)CC)S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000119383184 508785504 /nfs/dbraw/zinc/78/55/04/508785504.db2.gz FHGSXOCABRWLKU-UHFFFAOYSA-N 1 0 357.476 2.646 20 5 FFBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000119418891 508792025 /nfs/dbraw/zinc/79/20/25/508792025.db2.gz SDPBKEZVVXTMJZ-MRXNPFEDSA-N 1 0 362.474 2.881 20 5 FFBDRO CCN(CC)C(=O)C1([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000154549143 508807384 /nfs/dbraw/zinc/80/73/84/508807384.db2.gz MJABKSIASFKYQF-QGZVFWFLSA-N 1 0 363.458 2.789 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCN(CCOc2ccccc2)CC1 ZINC000124491875 508840686 /nfs/dbraw/zinc/84/06/86/508840686.db2.gz VTUQBCSRNTZVAY-UHFFFAOYSA-N 1 0 369.421 2.740 20 5 FFBDRO CC1(C)C[C@H]([NH2+]CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C(C)(C)O1 ZINC000119685979 508843417 /nfs/dbraw/zinc/84/34/17/508843417.db2.gz WGTQIJREAZNNPR-HNNXBMFYSA-N 1 0 363.414 2.829 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCOC3(C2)CCCCCC3)c1 ZINC000119715673 508848955 /nfs/dbraw/zinc/84/89/55/508848955.db2.gz CKKHEGYAKDODAJ-KRWDZBQOSA-N 1 0 364.442 2.760 20 5 FFBDRO NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](Nc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000155008341 508902920 /nfs/dbraw/zinc/90/29/20/508902920.db2.gz SVOOBCOQHPZHEH-QGZVFWFLSA-N 1 0 354.410 2.770 20 5 FFBDRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)c2ccc(F)cc2[N+](=O)[O-])cc1 ZINC000124956582 508909953 /nfs/dbraw/zinc/90/99/53/508909953.db2.gz UGMUGHYICZEXSO-UHFFFAOYSA-N 1 0 374.372 2.876 20 5 FFBDRO C[C@@H](CNC(=O)c1ccc(F)cc1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000120090093 508925678 /nfs/dbraw/zinc/92/56/78/508925678.db2.gz LOJMHLQHYSOPHM-ZDUSSCGKSA-N 1 0 357.385 2.911 20 5 FFBDRO CCN1CCC([N@H+](C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000125198411 508945891 /nfs/dbraw/zinc/94/58/91/508945891.db2.gz LNMJTRRBPWLQGG-UHFFFAOYSA-N 1 0 357.458 2.911 20 5 FFBDRO C[C@@H]1C[C@H]([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CN1C1CC1 ZINC000151102424 508956554 /nfs/dbraw/zinc/95/65/54/508956554.db2.gz XPMHSOLAZYVRFZ-CJNGLKHVSA-N 1 0 355.442 2.710 20 5 FFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000160237022 508958425 /nfs/dbraw/zinc/95/84/25/508958425.db2.gz BOIIIVQNUUNRFL-HIFRSBDPSA-N 1 0 352.398 2.570 20 5 FFBDRO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000125389981 508976340 /nfs/dbraw/zinc/97/63/40/508976340.db2.gz NMLAAOBWIXFPKE-JTQLQIEISA-N 1 0 363.867 2.503 20 5 FFBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CC[NH2+]C[C@@H]3C)cc2[N+](=O)[O-])C1 ZINC000125705463 509019572 /nfs/dbraw/zinc/01/95/72/509019572.db2.gz DWILAGJESUTVGP-KFWWJZLASA-N 1 0 360.458 2.511 20 5 FFBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000120554742 509019724 /nfs/dbraw/zinc/01/97/24/509019724.db2.gz ZHGBDTOATHXULD-OCCSQVGLSA-N 1 0 369.849 2.816 20 5 FFBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000125738498 509024096 /nfs/dbraw/zinc/02/40/96/509024096.db2.gz IITARBGUGPMJJC-CZUORRHYSA-N 1 0 354.410 2.699 20 5 FFBDRO Cc1c(NC(=O)CC[NH2+][C@@]2(CO)CCc3ccccc32)cccc1[N+](=O)[O-] ZINC000132424706 509029963 /nfs/dbraw/zinc/02/99/63/509029963.db2.gz ZXWJAXACCBSABT-HXUWFJFHSA-N 1 0 369.421 2.655 20 5 FFBDRO CCOc1cc(C(=O)N[C@H](C[NH3+])C2CCCCC2)c([N+](=O)[O-])cc1OC ZINC000155611422 509037448 /nfs/dbraw/zinc/03/74/48/509037448.db2.gz FGVNCXLIZZFMPW-CQSZACIVSA-N 1 0 365.430 2.640 20 5 FFBDRO CC(C)N(CC[NH+](C)C)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000151788009 509083807 /nfs/dbraw/zinc/08/38/07/509083807.db2.gz HRDNBCURPKQAGS-UHFFFAOYSA-N 1 0 362.474 2.610 20 5 FFBDRO CCC[C@@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2C)CC[N@@H+]1CCOC ZINC000155936385 509095695 /nfs/dbraw/zinc/09/56/95/509095695.db2.gz AVRCFLZANMJSLU-OAHLLOKOSA-N 1 0 364.446 2.868 20 5 FFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H](c1ccco1)N(C)C ZINC000121018955 509111084 /nfs/dbraw/zinc/11/10/84/509111084.db2.gz BDMNDEUPVUELMS-BBRMVZONSA-N 1 0 360.414 2.797 20 5 FFBDRO CC(C)c1ccc([C@@H]([NH3+])CNC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 ZINC000151958796 509118589 /nfs/dbraw/zinc/11/85/89/509118589.db2.gz WFYACUXCVCMECR-SFHVURJKSA-N 1 0 357.410 2.913 20 5 FFBDRO Cc1cc(C(=O)N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)ccc1[N+](=O)[O-] ZINC000162237636 509181218 /nfs/dbraw/zinc/18/12/18/509181218.db2.gz UWNNNOWWXCFGDE-IRXDYDNUSA-N 1 0 374.485 2.534 20 5 FFBDRO C[C@@H]1C[N@@H+](CC2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)C[C@H](C)O1 ZINC000263846286 509183324 /nfs/dbraw/zinc/18/33/24/509183324.db2.gz XGBCLXDOXJSWSZ-BETUJISGSA-N 1 0 367.471 2.618 20 5 FFBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)CC[C@H]21 ZINC000247920484 509191601 /nfs/dbraw/zinc/19/16/01/509191601.db2.gz BDTHXDIYRLQRGG-DLBZAZTESA-N 1 0 372.469 2.751 20 5 FFBDRO COc1ccc([C@@H](CNc2ncc([N+](=O)[O-])s2)[NH+](C)C)cc1OC ZINC000195505865 509200605 /nfs/dbraw/zinc/20/06/05/509200605.db2.gz CTHIGQQTGUZUBD-LLVKDONJSA-N 1 0 352.416 2.783 20 5 FFBDRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000247967440 509204243 /nfs/dbraw/zinc/20/42/43/509204243.db2.gz DXKWFRWNTVWYGX-ZBFHGGJFSA-N 1 0 356.426 2.704 20 5 FFBDRO COc1cccc(C(=O)NCC[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000162404450 509217751 /nfs/dbraw/zinc/21/77/51/509217751.db2.gz LIQRUFHCBIGADI-AWEZNQCLSA-N 1 0 357.410 2.992 20 5 FFBDRO CC[C@@](C)(COc1ncccc1Cl)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000162507863 509240028 /nfs/dbraw/zinc/24/00/28/509240028.db2.gz PSQVGMKFUZNSBK-HNNXBMFYSA-N 1 0 353.810 2.677 20 5 FFBDRO C[C@@H](Nc1ccc(C(=O)N(C)[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000179050724 509240438 /nfs/dbraw/zinc/24/04/38/509240438.db2.gz KXBLPUMILIWVQF-HIFRSBDPSA-N 1 0 369.425 2.597 20 5 FFBDRO Cc1cc(C)c(S(=O)(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000191992777 509281538 /nfs/dbraw/zinc/28/15/38/509281538.db2.gz URHOUCZHHLDDBR-HNNXBMFYSA-N 1 0 369.487 2.707 20 5 FFBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CC[NH+]2CCC1CC2 ZINC000188828483 509283084 /nfs/dbraw/zinc/28/30/84/509283084.db2.gz CHRPGWUBVRYSBN-UHFFFAOYSA-N 1 0 355.847 2.647 20 5 FFBDRO O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CC[NH+]2CCC1CC2 ZINC000188840162 509289428 /nfs/dbraw/zinc/28/94/28/509289428.db2.gz SAFDYUDNHXKALT-UHFFFAOYSA-N 1 0 358.442 2.505 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CC[NH+](CC(C)C)CC2)cc1SC ZINC000264084382 509322664 /nfs/dbraw/zinc/32/26/64/509322664.db2.gz GHMQLQHECKBPFN-UHFFFAOYSA-N 1 0 367.471 2.739 20 5 FFBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000179216975 509324313 /nfs/dbraw/zinc/32/43/13/509324313.db2.gz PLQNSQWMNSTCDG-MRXNPFEDSA-N 1 0 356.426 2.705 20 5 FFBDRO Cc1c(Br)cc(C(=O)NCC(C)(C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000162976880 509325962 /nfs/dbraw/zinc/32/59/62/509325962.db2.gz UNODNUMDNIGTOM-UHFFFAOYSA-N 1 0 372.263 2.983 20 5 FFBDRO Cc1cc(C)c(S(=O)(=O)NC2CCC(C[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000192073196 509331814 /nfs/dbraw/zinc/33/18/14/509331814.db2.gz RIBSYTDWRLSDAF-UHFFFAOYSA-N 1 0 369.487 2.610 20 5 FFBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)n1 ZINC000192079585 509337151 /nfs/dbraw/zinc/33/71/51/509337151.db2.gz KXRHUMHYCWCOSD-DZGCQCFKSA-N 1 0 354.769 2.704 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000248478460 509338960 /nfs/dbraw/zinc/33/89/60/509338960.db2.gz ZGQWUVITVCSOHD-DLBZAZTESA-N 1 0 364.442 2.758 20 5 FFBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCCN(Cc3ccc(Cl)cc3)CC2)n1 ZINC000176202014 509375999 /nfs/dbraw/zinc/37/59/99/509375999.db2.gz SYSSDNMQDLNEDC-UHFFFAOYSA-N 1 0 363.849 2.653 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1SC ZINC000264221708 509393038 /nfs/dbraw/zinc/39/30/38/509393038.db2.gz WBQCHZBPDASGRZ-STQMWFEESA-N 1 0 365.455 2.682 20 5 FFBDRO O=[N+]([O-])c1ccc2nc(N3CCC(C[NH+]4CCOCC4)CC3)ccc2c1 ZINC000267214799 509396812 /nfs/dbraw/zinc/39/68/12/509396812.db2.gz MMOGJIFRDAPWBA-UHFFFAOYSA-N 1 0 356.426 2.692 20 5 FFBDRO COc1cc(CNC[C@H](C)[NH+](C)C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000264234170 509398823 /nfs/dbraw/zinc/39/88/23/509398823.db2.gz CSSPOWSALGOKOQ-JTQLQIEISA-N 1 0 365.352 2.584 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(CC[NH+](C)C)C2CCCC2)cc1C ZINC000163774665 509422199 /nfs/dbraw/zinc/42/21/99/509422199.db2.gz OVEYPXJQIBNSNV-UHFFFAOYSA-N 1 0 369.487 2.707 20 5 FFBDRO COc1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000248716305 509449231 /nfs/dbraw/zinc/44/92/31/509449231.db2.gz BWGZVRNRUNFATM-RHSMWYFYSA-N 1 0 369.421 2.854 20 5 FFBDRO [NH3+]C[C@@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)C1CCCC1 ZINC000236253971 509457124 /nfs/dbraw/zinc/45/71/24/509457124.db2.gz UVEDSMNEGUSIHD-CYBMUJFWSA-N 1 0 356.220 2.605 20 5 FFBDRO CC(C)[C@](C)(C[NH3+])NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000236651435 509470950 /nfs/dbraw/zinc/47/09/50/509470950.db2.gz OTENJXYCLWIKHH-NRFANRHFSA-N 1 0 351.450 2.644 20 5 FFBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N(C)CC[NH+](C)C)cc2[N+](=O)[O-])C1 ZINC000176371659 509472482 /nfs/dbraw/zinc/47/24/82/509472482.db2.gz CJPZUDPRVBVIAE-GASCZTMLSA-N 1 0 362.474 2.711 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N3CCCC[C@@H]3C[NH3+])cc2[N+](=O)[O-])CC1 ZINC000236667984 509475750 /nfs/dbraw/zinc/47/57/50/509475750.db2.gz GGNRUADCFMRDRO-MRXNPFEDSA-N 1 0 360.458 2.785 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000192361268 509483333 /nfs/dbraw/zinc/48/33/33/509483333.db2.gz RUWKXPBORXSLRR-CJNGLKHVSA-N 1 0 358.394 2.707 20 5 FFBDRO COC(=O)c1cnc(NC[C@H]2CCC[N@@H+]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000189300307 509508475 /nfs/dbraw/zinc/50/84/75/509508475.db2.gz AFXSSMUGPFQFLL-MRXNPFEDSA-N 1 0 370.409 2.853 20 5 FFBDRO O=C1CCCN1C[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000179553769 509508874 /nfs/dbraw/zinc/50/88/74/509508874.db2.gz PRUDRZCHUBGVDC-LJQANCHMSA-N 1 0 369.421 2.927 20 5 FFBDRO O=C1CCCN1C[C@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000179553779 509508902 /nfs/dbraw/zinc/50/89/02/509508902.db2.gz PRUDRZCHUBGVDC-IBGZPJMESA-N 1 0 369.421 2.927 20 5 FFBDRO C[C@@H]([NH2+]Cc1cccc(OCC(=O)N(C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000173331821 509535905 /nfs/dbraw/zinc/53/59/05/509535905.db2.gz VORZSNLOVCSGDZ-CQSZACIVSA-N 1 0 357.410 2.913 20 5 FFBDRO CN(C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000237069852 509563586 /nfs/dbraw/zinc/56/35/86/509563586.db2.gz AOTXLZPGQYLNDL-UHFFFAOYSA-N 1 0 374.363 2.626 20 5 FFBDRO O=C(C[NH2+][C@@H](CCCO)c1ccccc1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000179733045 509596264 /nfs/dbraw/zinc/59/62/64/509596264.db2.gz ORYWRMXWBWAUGN-SFHVURJKSA-N 1 0 369.421 2.587 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](CCCO)c1ccccc1 ZINC000179741583 509598930 /nfs/dbraw/zinc/59/89/30/509598930.db2.gz WLGYUIGAPPNKPN-GOSISDBHSA-N 1 0 357.410 2.945 20 5 FFBDRO COc1ccc(-c2ccc(C[NH2+]CCCC(=O)N(C)C)o2)c([N+](=O)[O-])c1 ZINC000237287504 509613948 /nfs/dbraw/zinc/61/39/48/509613948.db2.gz PAVZKMYVDISOKW-UHFFFAOYSA-N 1 0 361.398 2.821 20 5 FFBDRO O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3cc(-c4ccco4)on3)C2)nc1 ZINC000173462531 509616074 /nfs/dbraw/zinc/61/60/74/509616074.db2.gz YTQRSLKXOGQPMP-LBPRGKRZSA-N 1 0 355.354 2.924 20 5 FFBDRO C[NH2+]C[C@@H](C)CNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000237340427 509627000 /nfs/dbraw/zinc/62/70/00/509627000.db2.gz RGSUOJOZLHJGEQ-CQSZACIVSA-N 1 0 356.426 2.792 20 5 FFBDRO Cc1sc(C(=O)NCCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1[N+](=O)[O-] ZINC000176691733 509645239 /nfs/dbraw/zinc/64/52/39/509645239.db2.gz OHWXDTTTXFHECE-VXGBXAGGSA-N 1 0 355.460 2.584 20 5 FFBDRO COc1ccc(-c2ccc(C[NH2+][C@@H]3CCCCNC3=O)o2)c([N+](=O)[O-])c1 ZINC000237438918 509646650 /nfs/dbraw/zinc/64/66/50/509646650.db2.gz SAJXDWXQNBLDRM-OAHLLOKOSA-N 1 0 359.382 2.622 20 5 FFBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000186330130 509651646 /nfs/dbraw/zinc/65/16/46/509651646.db2.gz SVKHBGVEZCUOPJ-QCUIPMNBSA-N 1 0 373.453 2.569 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H]1CCCO[C@H]1CC(C)C ZINC000186340014 509658066 /nfs/dbraw/zinc/65/80/66/509658066.db2.gz VRZJOUOJOFJAIO-YOEHRIQHSA-N 1 0 365.430 2.725 20 5 FFBDRO COc1ccc(F)cc1[C@H](C)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000179940102 509682684 /nfs/dbraw/zinc/68/26/84/509682684.db2.gz HILKAFCLGXIIDN-WFASDCNBSA-N 1 0 364.373 2.833 20 5 FFBDRO CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000173644456 509695254 /nfs/dbraw/zinc/69/52/54/509695254.db2.gz LJYQVSNGGFBZQA-SFHVURJKSA-N 1 0 361.442 2.839 20 5 FFBDRO CC1CC[NH+](CCCCNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CC1 ZINC000189682299 509699808 /nfs/dbraw/zinc/69/98/08/509699808.db2.gz JURCNXSVHBKJCD-UHFFFAOYSA-N 1 0 369.487 2.922 20 5 FFBDRO C[N@@H+]1CCN(CCCNc2ncc([N+](=O)[O-])s2)[C@@H](c2ccccc2)C1 ZINC000249653550 509732308 /nfs/dbraw/zinc/73/23/08/509732308.db2.gz YWVOFRLKBNWQEJ-OAHLLOKOSA-N 1 0 361.471 2.842 20 5 FFBDRO C[C@@H](NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[C@@H](c1ccccc1)[NH+](C)C ZINC000186493527 509738543 /nfs/dbraw/zinc/73/85/43/509738543.db2.gz HNTLQSQNYFOSAQ-XIKOKIGWSA-N 1 0 367.409 2.892 20 5 FFBDRO C[C@@H]1CN(C[C@H]2CCC[N@@H+]2CCOc2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000249797922 509764640 /nfs/dbraw/zinc/76/46/40/509764640.db2.gz BIKLOTAFLNMHLQ-JFIYKMOQSA-N 1 0 363.458 2.547 20 5 FFBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000268120192 509767952 /nfs/dbraw/zinc/76/79/52/509767952.db2.gz KREZYWINYIDATD-LSDHHAIUSA-N 1 0 352.822 2.674 20 5 FFBDRO C[C@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H](c1ccccc1)[NH+](C)C ZINC000186585271 509785192 /nfs/dbraw/zinc/78/51/92/509785192.db2.gz VRRNGDGNBLTBFT-SUMWQHHRSA-N 1 0 363.439 2.565 20 5 FFBDRO Cc1c([C@H](C)[NH2+][C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cnn1C ZINC000183435176 509786824 /nfs/dbraw/zinc/78/68/24/509786824.db2.gz WAEKGDLYBOTZQN-VHSXEESVSA-N 1 0 365.821 2.968 20 5 FFBDRO C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000186586539 509788500 /nfs/dbraw/zinc/78/85/00/509788500.db2.gz OJNMNIFRODXMNT-DYVFJYSZSA-N 1 0 363.439 2.565 20 5 FFBDRO CC(C)C[N@@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])cc2N2CCOC2=O)C1 ZINC000268196493 509807990 /nfs/dbraw/zinc/80/79/90/509807990.db2.gz FTPYIXFUWLUBIG-AWEZNQCLSA-N 1 0 362.430 2.941 20 5 FFBDRO C[C@@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000177002269 509811012 /nfs/dbraw/zinc/81/10/12/509811012.db2.gz ZTJSLAIBPNBOED-NSHDSACASA-N 1 0 370.247 2.819 20 5 FFBDRO CC[NH+](CC)[C@@H](CNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)c1ccccc1 ZINC000186763052 509891046 /nfs/dbraw/zinc/89/10/46/509891046.db2.gz UBQFQDXJRIOQIQ-INIZCTEOSA-N 1 0 358.398 2.508 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000193401320 509899105 /nfs/dbraw/zinc/89/91/05/509899105.db2.gz MOWKNNMWJMBFID-QGZVFWFLSA-N 1 0 372.425 2.706 20 5 FFBDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000180507570 509959977 /nfs/dbraw/zinc/95/99/77/509959977.db2.gz PWIRLQJYIZOMSU-CYBMUJFWSA-N 1 0 363.414 2.708 20 5 FFBDRO COC(=O)c1cnc(NC[C@@H](c2cccc(F)c2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000190164408 509979371 /nfs/dbraw/zinc/97/93/71/509979371.db2.gz CMVDIVXIKFRGQW-HNNXBMFYSA-N 1 0 362.361 2.630 20 5 FFBDRO COc1ccc(OCC[N@@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)c([N+](=O)[O-])c1 ZINC000245526786 509983667 /nfs/dbraw/zinc/98/36/67/509983667.db2.gz FLCKJRJFCIFRML-RHSMWYFYSA-N 1 0 360.414 2.762 20 5 FFBDRO CCc1ccc([C@H](CNC(=O)c2c(N)cccc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000180605756 510009766 /nfs/dbraw/zinc/00/97/66/510009766.db2.gz SNVJZBKEBUMONF-KRWDZBQOSA-N 1 0 356.426 2.772 20 5 FFBDRO [NH3+][C@@H]1CN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000261696670 510029999 /nfs/dbraw/zinc/02/99/99/510029999.db2.gz JKMPGUFYHKJRLW-LSDHHAIUSA-N 1 0 374.828 2.613 20 5 FFBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261696689 510030495 /nfs/dbraw/zinc/03/04/95/510030495.db2.gz JKWNSJLAHWEFAO-OGWOLHLISA-N 1 0 368.437 2.596 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)[C@@H](C)C1 ZINC000245615710 510041111 /nfs/dbraw/zinc/04/11/11/510041111.db2.gz CVIPXINHGGMJOJ-SCLBCKFNSA-N 1 0 358.442 2.807 20 5 FFBDRO C[N@@H+]1CC[C@H](NC(=O)NCCc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1 ZINC000245670175 510072857 /nfs/dbraw/zinc/07/28/57/510072857.db2.gz RYKUPPNLPHJJEU-RBUKOAKNSA-N 1 0 368.437 2.882 20 5 FFBDRO O=C1CCc2cc([N+](=O)[O-])c(NCC[N@@H+]3CCc4ccccc4C3)cc2N1 ZINC000193827502 510088279 /nfs/dbraw/zinc/08/82/79/510088279.db2.gz XYIOQIZQRSAVTM-UHFFFAOYSA-N 1 0 366.421 2.950 20 5 FFBDRO C[C@H](CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[N@@H+]1CCC[C@@H](C)C1 ZINC000245696784 510092697 /nfs/dbraw/zinc/09/26/97/510092697.db2.gz YIGWJUILVHYUKZ-ZIAGYGMSSA-N 1 0 358.442 2.855 20 5 FFBDRO Cc1ccc(NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])c(C[NH+](C)C)c1 ZINC000180813278 510122981 /nfs/dbraw/zinc/12/29/81/510122981.db2.gz NFKGIWTYNJLUGS-UHFFFAOYSA-N 1 0 363.439 2.907 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)cc1SC ZINC000177544614 510124470 /nfs/dbraw/zinc/12/44/70/510124470.db2.gz PQXJUSPIHDIUJA-NEPJUHHUSA-N 1 0 367.471 2.928 20 5 FFBDRO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000265593765 510131116 /nfs/dbraw/zinc/13/11/16/510131116.db2.gz YOIIHEYYXZIREX-ZDUSSCGKSA-N 1 0 373.409 2.572 20 5 FFBDRO C[NH2+]CCC1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000262093237 510175048 /nfs/dbraw/zinc/17/50/48/510175048.db2.gz RYRRYIRBWFHSQQ-UHFFFAOYSA-N 1 0 370.247 2.819 20 5 FFBDRO CC(C)[N@H+](C)CCCNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000265743191 510206828 /nfs/dbraw/zinc/20/68/28/510206828.db2.gz CKIILQZMUJRTPK-UHFFFAOYSA-N 1 0 358.236 2.817 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H](c2cccc(F)c2)C2CCCC2)c1 ZINC000181022062 510243214 /nfs/dbraw/zinc/24/32/14/510243214.db2.gz VZIICZWSDCRUPD-ROUUACIJSA-N 1 0 362.405 2.812 20 5 FFBDRO C[NH2+][C@H]1CCN(C(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)C1 ZINC000269135889 510253164 /nfs/dbraw/zinc/25/31/64/510253164.db2.gz QKYQQQYYUFZGKD-HIFRSBDPSA-N 1 0 369.425 2.597 20 5 FFBDRO COc1cc(C(=O)N(CC[NH+](C)C)c2ccccc2)cc([N+](=O)[O-])c1OC ZINC000265849505 510261972 /nfs/dbraw/zinc/26/19/72/510261972.db2.gz AGZKQZBUJLWCHN-UHFFFAOYSA-N 1 0 373.409 2.820 20 5 FFBDRO CCCC[C@@H](C[NH3+])NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000269190319 510282781 /nfs/dbraw/zinc/28/27/81/510282781.db2.gz KSOHIQFUWQKADS-VIFPVBQESA-N 1 0 362.199 2.744 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CC[C@](O)(C(F)(F)F)C3)o2)c1 ZINC000174751489 510292460 /nfs/dbraw/zinc/29/24/60/510292460.db2.gz VOVXBASBBIUBLF-OAHLLOKOSA-N 1 0 371.315 2.791 20 5 FFBDRO C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000269240501 510303876 /nfs/dbraw/zinc/30/38/76/510303876.db2.gz XOEOBLMYGJHWKX-LSDHHAIUSA-N 1 0 360.458 2.703 20 5 FFBDRO O=C(NC[C@H]1CCC[NH2+]1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000262541717 510312214 /nfs/dbraw/zinc/31/22/14/510312214.db2.gz VGHXEGMBHVXDEH-MRXNPFEDSA-N 1 0 354.410 2.689 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N3CC[C@H]([NH3+])[C@H](C)C3)cc2[N+](=O)[O-])CC1 ZINC000269284212 510322583 /nfs/dbraw/zinc/32/25/83/510322583.db2.gz RQTAHYHQRMTXDF-ZBFHGGJFSA-N 1 0 360.458 2.640 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@@H]1C[NH+]1CCCC1 ZINC000171708303 510323068 /nfs/dbraw/zinc/32/30/68/510323068.db2.gz IUVGNSAWTBPEDZ-QGZVFWFLSA-N 1 0 360.458 2.792 20 5 FFBDRO C[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(N2CCOC2=O)cc1 ZINC000181280565 510336178 /nfs/dbraw/zinc/33/61/78/510336178.db2.gz SDWFVTJGQQDSPW-ACJLOTCBSA-N 1 0 371.393 2.936 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000266009070 510355095 /nfs/dbraw/zinc/35/50/95/510355095.db2.gz RZTUZWHSDQDPKR-NHYWBVRUSA-N 1 0 364.402 2.614 20 5 FFBDRO CCC[N@H+](C)C[C@@H]1CCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000246255290 510392588 /nfs/dbraw/zinc/39/25/88/510392588.db2.gz UBHJHXDLEJKOET-CVEARBPZSA-N 1 0 362.474 2.894 20 5 FFBDRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000262768217 510404305 /nfs/dbraw/zinc/40/43/05/510404305.db2.gz LEYPBKRZIQEALX-CMPLNLGQSA-N 1 0 374.363 2.530 20 5 FFBDRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000190957714 510433902 /nfs/dbraw/zinc/43/39/02/510433902.db2.gz GLDKJWRWJLRQJJ-CHWSQXEVSA-N 1 0 360.414 2.673 20 5 FFBDRO CC(C)c1n[nH]c(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000269500620 510438699 /nfs/dbraw/zinc/43/86/99/510438699.db2.gz YZNNMEUJDBGTSA-HNNXBMFYSA-N 1 0 371.441 2.836 20 5 FFBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N[C@@H]3CC[NH2+][C@H](C)C3)cc2[N+](=O)[O-])C1 ZINC000262866910 510448960 /nfs/dbraw/zinc/44/89/60/510448960.db2.gz LXNJCLVOTPDVFE-JYYAWHABSA-N 1 0 374.485 2.947 20 5 FFBDRO CC(C)c1ccc(C(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000190988661 510454103 /nfs/dbraw/zinc/45/41/03/510454103.db2.gz NDRFLMJSXHGZRL-AWEZNQCLSA-N 1 0 363.458 2.635 20 5 FFBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000191057863 510486064 /nfs/dbraw/zinc/48/60/64/510486064.db2.gz NPJLJDXOTQUDKR-HNNXBMFYSA-N 1 0 360.458 2.905 20 5 FFBDRO Cc1cc(S(=O)(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000172021011 510502796 /nfs/dbraw/zinc/50/27/96/510502796.db2.gz YWYMILCNJLRFLN-HNNXBMFYSA-N 1 0 367.471 2.542 20 5 FFBDRO COCC[C@](C)(O)C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000172070428 510527562 /nfs/dbraw/zinc/52/75/62/510527562.db2.gz PLEPBCJZGUQNCL-INIZCTEOSA-N 1 0 351.428 2.595 20 5 FFBDRO O=C(CC[NH+]1CCC(n2ccnc2)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000181736706 510566941 /nfs/dbraw/zinc/56/69/41/510566941.db2.gz XHHIHZCUCSSLFT-UHFFFAOYSA-N 1 0 361.377 2.596 20 5 FFBDRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000175303187 510578622 /nfs/dbraw/zinc/57/86/22/510578622.db2.gz JXJCFUJDBJRXDM-UHFFFAOYSA-N 1 0 374.397 2.591 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000184923474 510587822 /nfs/dbraw/zinc/58/78/22/510587822.db2.gz HUWCFGUEJZBCDS-AWEZNQCLSA-N 1 0 364.446 2.667 20 5 FFBDRO O=[N+]([O-])c1cnn(CC[N@H+](CCc2ccccc2)Cc2cccnc2)c1 ZINC000191352377 510617894 /nfs/dbraw/zinc/61/78/94/510617894.db2.gz KBRJTANVMYIRCV-UHFFFAOYSA-N 1 0 351.410 2.931 20 5 FFBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H](CO)C[C@H](O)c2ccccc2)c1 ZINC000269960089 510619397 /nfs/dbraw/zinc/61/93/97/510619397.db2.gz UZJANGFSGKGIRQ-PBHICJAKSA-N 1 0 350.802 2.822 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000195002846 510627286 /nfs/dbraw/zinc/62/72/86/510627286.db2.gz ZWIPKFVBMOUGBJ-UHFFFAOYSA-N 1 0 357.410 2.807 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@@H]2c2cccc(Cl)c2)c1 ZINC000246773995 510665304 /nfs/dbraw/zinc/66/53/04/510665304.db2.gz RYFKKCFKKGWBLO-HZPDHXFCSA-N 1 0 350.806 2.643 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000266610326 510686844 /nfs/dbraw/zinc/68/68/44/510686844.db2.gz BBXYENXOGURSMS-UHFFFAOYSA-N 1 0 361.442 2.620 20 5 FFBDRO CN(Cc1ccccc1[N+](=O)[O-])C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188297389 510696257 /nfs/dbraw/zinc/69/62/57/510696257.db2.gz JIRSTRYJKCQDMI-HXUWFJFHSA-N 1 0 355.438 2.664 20 5 FFBDRO CCO[C@@H]1C[C@H]([N@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000182022844 510716102 /nfs/dbraw/zinc/71/61/02/510716102.db2.gz MEMCCIZYMURHED-JCGIZDLHSA-N 1 0 364.442 2.614 20 5 FFBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)NC(=O)NC(C)(C)C)cc1[N+](=O)[O-] ZINC000178686867 510721122 /nfs/dbraw/zinc/72/11/22/510721122.db2.gz BERPJQXBNJEGOP-RYUDHWBXSA-N 1 0 350.419 2.567 20 5 FFBDRO O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195225016 510725871 /nfs/dbraw/zinc/72/58/71/510725871.db2.gz XBIOVTCTVRSOLA-OKILXGFUSA-N 1 0 353.378 2.679 20 5 FFBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000246891091 510730448 /nfs/dbraw/zinc/73/04/48/510730448.db2.gz UMNYCBWUIJQIEU-SUMWQHHRSA-N 1 0 367.421 2.601 20 5 FFBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2csc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000246927385 510749375 /nfs/dbraw/zinc/74/93/75/510749375.db2.gz WWUHAFMOMORZDA-JSGCOSHPSA-N 1 0 355.460 2.523 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[N@@H+](C2CCCC2)CC1 ZINC000172583223 510804366 /nfs/dbraw/zinc/80/43/66/510804366.db2.gz VHVYWEWOXDQFJG-UHFFFAOYSA-N 1 0 360.458 2.792 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C1(c2nccs2)CCCC1 ZINC000182193183 510807853 /nfs/dbraw/zinc/80/78/53/510807853.db2.gz AVUGLZCNMBQUNC-ZDUSSCGKSA-N 1 0 363.439 2.850 20 5 FFBDRO Cc1ccc(C[NH2+][C@H]2CCN(Cc3ccc(F)cc3)C2=O)cc1[N+](=O)[O-] ZINC000191759487 510817948 /nfs/dbraw/zinc/81/79/48/510817948.db2.gz QJLQDJDZYVWIJO-KRWDZBQOSA-N 1 0 357.385 2.933 20 5 FFBDRO [NH3+]CC1(CC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CCCCC1 ZINC000185354522 510820283 /nfs/dbraw/zinc/82/02/83/510820283.db2.gz FXLNCYKWSHAQSK-UHFFFAOYSA-N 1 0 360.458 2.543 20 5 FFBDRO Cc1ccc([C@@H]2[C@H](C)CCC[N@@H+]2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000247190402 510850305 /nfs/dbraw/zinc/85/03/05/510850305.db2.gz BQNUUJUJPRPIIS-LZQZEXGQSA-N 1 0 358.442 2.934 20 5 FFBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NC[C@H]3CCC[NH2+]3)cc2[N+](=O)[O-])C1 ZINC000247299771 510856021 /nfs/dbraw/zinc/85/60/21/510856021.db2.gz OUBQFBAYEPSUDA-IIAWOOMASA-N 1 0 360.458 2.559 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000247544712 510864950 /nfs/dbraw/zinc/86/49/50/510864950.db2.gz YHKBHFBNURRJNA-GUYCJALGSA-N 1 0 360.458 2.971 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000285415677 510897363 /nfs/dbraw/zinc/89/73/63/510897363.db2.gz DIMAHPCRGTWKSC-DOTOQJQBSA-N 1 0 360.458 2.790 20 5 FFBDRO Cc1cccc(C(=O)N2CC[C@H](c3ccc(F)cc3)[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000297314314 510899390 /nfs/dbraw/zinc/89/93/90/510899390.db2.gz WIVKVVWSWGFSNR-NVXWUHKLSA-N 1 0 357.385 2.999 20 5 FFBDRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000360618783 510928248 /nfs/dbraw/zinc/92/82/48/510928248.db2.gz KHNGQAJCJYCTGR-GJZGRUSLSA-N 1 0 361.423 2.540 20 5 FFBDRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000360618906 510928335 /nfs/dbraw/zinc/92/83/35/510928335.db2.gz LNTXBRYWUSBPSM-YJBOKZPZSA-N 1 0 373.384 2.618 20 5 FFBDRO COc1cc(C[NH2+]C2CCN(c3nccs3)CC2)c([N+](=O)[O-])cc1O ZINC000282342339 510938308 /nfs/dbraw/zinc/93/83/08/510938308.db2.gz VECUHNOCYDOYAL-UHFFFAOYSA-N 1 0 364.427 2.524 20 5 FFBDRO CN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285523426 510940676 /nfs/dbraw/zinc/94/06/76/510940676.db2.gz OOHOGHOILUPKSA-PBWFPOADSA-N 1 0 366.849 2.744 20 5 FFBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000285544399 510948829 /nfs/dbraw/zinc/94/88/29/510948829.db2.gz LVDQHTCNXILCFN-BBRMVZONSA-N 1 0 357.414 2.703 20 5 FFBDRO O=C(CC[N@@H+]1CC[C@H](C2CCOCC2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000364607290 510967339 /nfs/dbraw/zinc/96/73/39/510967339.db2.gz MOYPNZCCZQULQW-AWEZNQCLSA-N 1 0 365.405 2.811 20 5 FFBDRO Cc1cc(C(=O)N2CCC(N3CC[NH+](C(C)C)CC3)CC2)cc([N+](=O)[O-])c1 ZINC000270877692 511013155 /nfs/dbraw/zinc/01/31/55/511013155.db2.gz JUWLCRMAEGTCGE-UHFFFAOYSA-N 1 0 374.485 2.534 20 5 FFBDRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000286266424 511020836 /nfs/dbraw/zinc/02/08/36/511020836.db2.gz VVHSKNWMCNQJGX-VTJXTGGHSA-N 1 0 363.461 2.657 20 5 FFBDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000361256719 511021267 /nfs/dbraw/zinc/02/12/67/511021267.db2.gz DKIKGIVMIJISKG-INIZCTEOSA-N 1 0 354.410 2.584 20 5 FFBDRO O=C(NCCC[NH+]1CCCC1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000294326611 511027836 /nfs/dbraw/zinc/02/78/36/511027836.db2.gz HWEIRLHHJCVTSI-UHFFFAOYSA-N 1 0 354.410 2.873 20 5 FFBDRO COc1cc(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000294596800 511114562 /nfs/dbraw/zinc/11/45/62/511114562.db2.gz USMIWNPTJFFRPA-VXGBXAGGSA-N 1 0 353.394 2.593 20 5 FFBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000282802701 511117182 /nfs/dbraw/zinc/11/71/82/511117182.db2.gz QFXUQXNVISLWQT-UHFFFAOYSA-N 1 0 360.458 2.653 20 5 FFBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000294662526 511135389 /nfs/dbraw/zinc/13/53/89/511135389.db2.gz IIHNBOLXFBKVSS-HNNXBMFYSA-N 1 0 361.442 2.794 20 5 FFBDRO C[C@H]([NH2+]CCCN1c2ccccc2OCC1=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294783751 511176516 /nfs/dbraw/zinc/17/65/16/511176516.db2.gz NXOMVOZWCDDBNB-ZDUSSCGKSA-N 1 0 370.409 2.643 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)[C@@H](C)C1 ZINC000294946460 511229965 /nfs/dbraw/zinc/22/99/65/511229965.db2.gz LUVFCFLGNLFLRY-UGSOOPFHSA-N 1 0 371.441 2.787 20 5 FFBDRO C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C[N@@H+]1C1CC1 ZINC000295059343 511267172 /nfs/dbraw/zinc/26/71/72/511267172.db2.gz TZXOELCLXRHCFQ-UWVGGRQHSA-N 1 0 357.332 2.969 20 5 FFBDRO O=C(C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000295094777 511279848 /nfs/dbraw/zinc/27/98/48/511279848.db2.gz AJACJTKWMZWURP-HFBAOOFYSA-N 1 0 365.817 2.734 20 5 FFBDRO COc1cc(C[NH2+]CC[C@H](C)CCO)c([N+](=O)[O-])cc1OCC(F)F ZINC000295209895 511321887 /nfs/dbraw/zinc/32/18/87/511321887.db2.gz ZXCBXHRIBFIGQO-NSHDSACASA-N 1 0 362.373 2.746 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)c2ccncc21 ZINC000283359688 511335281 /nfs/dbraw/zinc/33/52/81/511335281.db2.gz BXHLEGUBBUSIIS-HNNXBMFYSA-N 1 0 356.426 2.692 20 5 FFBDRO C[C@H]1CN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000295283124 511347750 /nfs/dbraw/zinc/34/77/50/511347750.db2.gz HXJQAJWEVLXRAU-LLVKDONJSA-N 1 0 369.824 2.873 20 5 FFBDRO C[C@@H]1CN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC[N@@H+](C2CC2)C1 ZINC000295341742 511369771 /nfs/dbraw/zinc/36/97/71/511369771.db2.gz MRLIHZZRMPZKFI-HNNXBMFYSA-N 1 0 372.469 2.751 20 5 FFBDRO C[N@H+]1CC=C(CNC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000272031217 511406239 /nfs/dbraw/zinc/40/62/39/511406239.db2.gz MYFJXJLFLBWIRR-UHFFFAOYSA-N 1 0 369.219 2.741 20 5 FFBDRO CC[C@@H]([NH2+]C[C@](O)(c1nccn1C)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000272194056 511460658 /nfs/dbraw/zinc/46/06/58/511460658.db2.gz ZTEGASBGOFGRJT-HIFRSBDPSA-N 1 0 372.347 2.819 20 5 FFBDRO CC[C@@H]([NH2+]C[C@@](O)(c1nccn1C)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000272194060 511461183 /nfs/dbraw/zinc/46/11/83/511461183.db2.gz ZTEGASBGOFGRJT-UKRRQHHQSA-N 1 0 372.347 2.819 20 5 FFBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000272200145 511463505 /nfs/dbraw/zinc/46/35/05/511463505.db2.gz PHJFQNWQPRINFM-CQSZACIVSA-N 1 0 371.441 2.583 20 5 FFBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@H](c3nnc(C4CCCCC4)[nH]3)C2)n1 ZINC000272243971 511477616 /nfs/dbraw/zinc/47/76/16/511477616.db2.gz NZEIRLMSQXOOJH-HNNXBMFYSA-N 1 0 373.461 2.837 20 5 FFBDRO COc1cc(C[NH2+]CCCCCCO)c([N+](=O)[O-])cc1OCC(F)F ZINC000272261020 511483896 /nfs/dbraw/zinc/48/38/96/511483896.db2.gz APIUBXFPQQKIQB-UHFFFAOYSA-N 1 0 362.373 2.890 20 5 FFBDRO C[C@H]1CN(C(=O)NCCc2cccc([N+](=O)[O-])c2)CC[N@@H+](C2CCC2)C1 ZINC000292180745 511495337 /nfs/dbraw/zinc/49/53/37/511495337.db2.gz DXVYAXAAXPDTHA-OAHLLOKOSA-N 1 0 360.458 2.653 20 5 FFBDRO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000295735089 511499776 /nfs/dbraw/zinc/49/97/76/511499776.db2.gz WFNMIJLCQNODRD-JKSUJKDBSA-N 1 0 369.421 2.645 20 5 FFBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000363416272 511537188 /nfs/dbraw/zinc/53/71/88/511537188.db2.gz BHAQXWSBQOZYKC-WMZOPIPTSA-N 1 0 360.458 2.844 20 5 FFBDRO COc1ccc(NC(=O)CC[N@H+]2CC[C@H](OC)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000295865563 511538971 /nfs/dbraw/zinc/53/89/71/511538971.db2.gz FHOOAVOYQZCSIZ-INIZCTEOSA-N 1 0 365.430 2.679 20 5 FFBDRO COc1cc(OC)cc([C@@H](O)C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000283995540 511569961 /nfs/dbraw/zinc/56/99/61/511569961.db2.gz HMYTXSWMARFYKA-VOJFVSQTSA-N 1 0 361.398 2.578 20 5 FFBDRO COc1ccc(NC(=O)CC[NH2+][C@H](CCO)c2ccccc2)c([N+](=O)[O-])c1 ZINC000299490909 511657593 /nfs/dbraw/zinc/65/75/93/511657593.db2.gz ATOGOFKJZLQVRU-MRXNPFEDSA-N 1 0 373.409 2.645 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCC2CC[NH+](C3CC3)CC2)c1 ZINC000280931032 511658247 /nfs/dbraw/zinc/65/82/47/511658247.db2.gz FXMHBXITTUMBMZ-UHFFFAOYSA-N 1 0 361.442 2.663 20 5 FFBDRO CC(C)(C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000273997910 511685217 /nfs/dbraw/zinc/68/52/17/511685217.db2.gz YXQONQGOBNMWQW-AWEZNQCLSA-N 1 0 363.433 2.956 20 5 FFBDRO C[NH+](C)CC1(NC(=O)c2ccc([N+](=O)[O-])cc2Br)CCC1 ZINC000281132505 511732435 /nfs/dbraw/zinc/73/24/35/511732435.db2.gz UIQYRIVKVSWHMS-UHFFFAOYSA-N 1 0 356.220 2.571 20 5 FFBDRO C[C@H]1CN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC[N@@H+](C2CC2)C1 ZINC000296698134 511858680 /nfs/dbraw/zinc/85/86/80/511858680.db2.gz KRSLTRSWLIUJOI-ZDUSSCGKSA-N 1 0 357.414 2.561 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000326955684 511866235 /nfs/dbraw/zinc/86/62/35/511866235.db2.gz PCWBEQIEJAONSJ-AWEZNQCLSA-N 1 0 367.833 2.575 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C[NH+](C)C)Oc2ccccc21 ZINC000366162669 511875651 /nfs/dbraw/zinc/87/56/51/511875651.db2.gz HXLHZZQJSCYKHB-CQSZACIVSA-N 1 0 371.393 2.573 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]2)c1C ZINC000327758583 511880503 /nfs/dbraw/zinc/88/05/03/511880503.db2.gz RNRYMBLMQGXKJC-HOTGVXAUSA-N 1 0 367.471 2.507 20 5 FFBDRO C[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 ZINC000296751481 511882627 /nfs/dbraw/zinc/88/26/27/511882627.db2.gz PRHSETBBZDLXAI-BLLLJJGKSA-N 1 0 361.354 2.594 20 5 FFBDRO CC(C)c1n[nH]c(C(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000274699454 511913566 /nfs/dbraw/zinc/91/35/66/511913566.db2.gz NFYMDEHIAMSEQR-LRDDRELGSA-N 1 0 359.430 2.863 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000281682170 511929586 /nfs/dbraw/zinc/92/95/86/511929586.db2.gz USBQMQWRPAMMRB-CVEARBPZSA-N 1 0 361.442 2.615 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N[C@H]3CCC[NH2+]CC3)cc2[N+](=O)[O-])CC1 ZINC000364174981 512000937 /nfs/dbraw/zinc/00/09/37/512000937.db2.gz YROSVCKWOAUZFS-INIZCTEOSA-N 1 0 360.458 2.703 20 5 FFBDRO O=C(NCC(F)(F)F)[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000275099845 512040913 /nfs/dbraw/zinc/04/09/13/512040913.db2.gz KOSKITCCOGWOBW-SNVBAGLBSA-N 1 0 365.739 2.749 20 5 FFBDRO C[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)N(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293666098 512045056 /nfs/dbraw/zinc/04/50/56/512045056.db2.gz JMEOTQBHRWMZLT-GUYCJALGSA-N 1 0 356.426 2.527 20 5 FFBDRO O=C(NCC(F)(F)F)[C@@H]1CC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000275134020 512051861 /nfs/dbraw/zinc/05/18/61/512051861.db2.gz SNJLKVXKUVHBTG-SNVBAGLBSA-N 1 0 365.739 2.749 20 5 FFBDRO CC(C)c1ccc(C[NH2+]C[C@H]2CCC[C@]23NC(=O)N(C)C3=O)cc1[N+](=O)[O-] ZINC000360018720 512064341 /nfs/dbraw/zinc/06/43/41/512064341.db2.gz HLMIXKYOMBEZFR-KUHUBIRLSA-N 1 0 374.441 2.528 20 5 FFBDRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293743977 512069662 /nfs/dbraw/zinc/06/96/62/512069662.db2.gz HYETYVSFICVFRR-JTQLQIEISA-N 1 0 357.332 2.828 20 5 FFBDRO O=C(C[NH2+][C@H](c1ccccc1)[C@@H]1CCOC1)Nc1ccccc1[N+](=O)[O-] ZINC000371556542 512464134 /nfs/dbraw/zinc/46/41/34/512464134.db2.gz ZFDUCLOBYZYLCX-DNVCBOLYSA-N 1 0 355.394 2.901 20 5 FFBDRO C[NH+](C)CC(C)(C)NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000411104079 512470307 /nfs/dbraw/zinc/47/03/07/512470307.db2.gz WLYBCKQCEGPWFV-UHFFFAOYSA-N 1 0 363.336 2.606 20 5 FFBDRO CC(C)[NH+]1CCN([C@H]2CCN(Cc3ccc(Cl)cc3[N+](=O)[O-])C2)CC1 ZINC000377830021 512471407 /nfs/dbraw/zinc/47/14/07/512471407.db2.gz AFKGEUCTJQCEEJ-KRWDZBQOSA-N 1 0 366.893 2.849 20 5 FFBDRO C[C@H]1CN(c2cc(Cl)ccc2[N+](=O)[O-])CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000367433952 512496295 /nfs/dbraw/zinc/49/62/95/512496295.db2.gz BZNBPLFLHGEUIS-ZFWWWQNUSA-N 1 0 352.866 2.710 20 5 FFBDRO CCOC(=O)C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000411325689 512581250 /nfs/dbraw/zinc/58/12/50/512581250.db2.gz OLEIXWQZSIYQCE-UHFFFAOYSA-N 1 0 351.403 2.587 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C(C)C)C1CCOCC1 ZINC000411397858 512616520 /nfs/dbraw/zinc/61/65/20/512616520.db2.gz ZZVDGPOCFIYRPZ-UHFFFAOYSA-N 1 0 365.430 2.821 20 5 FFBDRO COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411404168 512619314 /nfs/dbraw/zinc/61/93/14/512619314.db2.gz DOVGYRBZBLULRK-MAUKXSAKSA-N 1 0 363.414 2.635 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(CC(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)c1F ZINC000411414185 512624347 /nfs/dbraw/zinc/62/43/47/512624347.db2.gz HSHJKCAJGNISAY-QWHCGFSZSA-N 1 0 367.421 2.664 20 5 FFBDRO CCc1ccc([C@@H](CO)[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000411511419 512669455 /nfs/dbraw/zinc/66/94/55/512669455.db2.gz PHAWTVKZOXOQCM-QGZVFWFLSA-N 1 0 357.410 2.809 20 5 FFBDRO COc1ccc(OCC[NH+]2CCC(OCC3CC3)CC2)c([N+](=O)[O-])c1 ZINC000374133853 512672911 /nfs/dbraw/zinc/67/29/11/512672911.db2.gz XRXPZANMWRGSNB-UHFFFAOYSA-N 1 0 350.415 2.873 20 5 FFBDRO O=C(CC[NH2+][C@@H]1CCCC[C@@H]1n1cccn1)Nc1ccccc1[N+](=O)[O-] ZINC000411559456 512688639 /nfs/dbraw/zinc/68/86/39/512688639.db2.gz NQNIUBXJOHJUDX-ZBFHGGJFSA-N 1 0 357.414 2.893 20 5 FFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCC(n3cc(Cl)cn3)CC2)c1 ZINC000367870682 512699171 /nfs/dbraw/zinc/69/91/71/512699171.db2.gz NQQLLTDAIUUIGW-INIZCTEOSA-N 1 0 350.806 2.815 20 5 FFBDRO Cn1nccc1[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411671979 512749280 /nfs/dbraw/zinc/74/92/80/512749280.db2.gz MLCNHDQBYSOQKQ-QGZVFWFLSA-N 1 0 357.414 2.884 20 5 FFBDRO C[C@H]1CN(c2ccc([N+](=O)[O-])c3cccnc32)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000374306570 512757051 /nfs/dbraw/zinc/75/70/51/512757051.db2.gz AVAFTHWHGXTUJC-RDJZCZTQSA-N 1 0 369.469 2.605 20 5 FFBDRO Cc1c(CC(=O)N[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000374315543 512762685 /nfs/dbraw/zinc/76/26/85/512762685.db2.gz GAWLSSAIPDSNHO-ZWKOTPCHSA-N 1 0 353.422 2.660 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@H](c3ccc(F)cc3)CC2)c1 ZINC000378491495 512787648 /nfs/dbraw/zinc/78/76/48/512787648.db2.gz GXSVOIRQMMANJA-KBXCAEBGSA-N 1 0 362.405 2.561 20 5 FFBDRO C[NH+]1CCC2(CCCN2C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000370203988 512818612 /nfs/dbraw/zinc/81/86/12/512818612.db2.gz LZKGKVJEHVBSDC-UHFFFAOYSA-N 1 0 369.368 2.897 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000374429934 512829483 /nfs/dbraw/zinc/82/94/83/512829483.db2.gz QOUBTSVFGHACGJ-SZVBFZGTSA-N 1 0 363.458 2.677 20 5 FFBDRO O=C(CC[N@H+]1CC[C@@](CO)(c2ccccc2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000368262187 512870748 /nfs/dbraw/zinc/87/07/48/512870748.db2.gz WLHONXZMTAIFCH-HXUWFJFHSA-N 1 0 369.421 2.559 20 5 FFBDRO CC(C)(CN1CCOCC1)[NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000412001634 512908324 /nfs/dbraw/zinc/90/83/24/512908324.db2.gz ZZORFJBIYMZITC-UHFFFAOYSA-N 1 0 361.364 2.814 20 5 FFBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3N3CCCCC3)C[C@@H]21 ZINC000374602235 512911984 /nfs/dbraw/zinc/91/19/84/512911984.db2.gz HLSSJRHCQXKQFO-FHLIZLRMSA-N 1 0 372.469 2.785 20 5 FFBDRO CCc1nn(C)c(Cl)c1CN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000376654669 512922442 /nfs/dbraw/zinc/92/24/42/512922442.db2.gz YQMXUFANFRVKMB-UHFFFAOYSA-N 1 0 352.826 2.578 20 5 FFBDRO Cn1c(=O)sc2cc(C[NH+]3CCC(n4ccc([N+](=O)[O-])n4)CC3)ccc21 ZINC000368440344 512950716 /nfs/dbraw/zinc/95/07/16/512950716.db2.gz CAFJXPYDZLHTPW-UHFFFAOYSA-N 1 0 373.438 2.542 20 5 FFBDRO C[C@H]1C[C@@H](Nc2ccc(C(N)=O)cc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000397976620 512952305 /nfs/dbraw/zinc/95/23/05/512952305.db2.gz KWJZIHPNMNUTDR-XJKSGUPXSA-N 1 0 354.410 2.769 20 5 FFBDRO Cn1cnc([N+](=O)[O-])c1CN1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000368446078 512952425 /nfs/dbraw/zinc/95/24/25/512952425.db2.gz SPJJJDWQQMRIQQ-QZTJIDSGSA-N 1 0 369.469 2.815 20 5 FFBDRO Cn1cnc([N+](=O)[O-])c1CN1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000368446077 512952656 /nfs/dbraw/zinc/95/26/56/512952656.db2.gz SPJJJDWQQMRIQQ-MSOLQXFVSA-N 1 0 369.469 2.815 20 5 FFBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000408217949 513024044 /nfs/dbraw/zinc/02/40/44/513024044.db2.gz GOKMZJJVMQWLQY-LZWOXQAQSA-N 1 0 367.471 2.621 20 5 FFBDRO O=C(CCN1CCC[C@H]([NH+]2CCCC2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000368622642 513030991 /nfs/dbraw/zinc/03/09/91/513030991.db2.gz NQIBPUAHYONZIX-HNNXBMFYSA-N 1 0 364.421 2.623 20 5 FFBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000372769179 513036598 /nfs/dbraw/zinc/03/65/98/513036598.db2.gz WJDQRRBRQQPOCD-CHWSQXEVSA-N 1 0 357.332 2.970 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2C[C@@H]3CCCC[C@]32c2ccccc2)c1 ZINC000370706824 513062855 /nfs/dbraw/zinc/06/28/55/513062855.db2.gz FVDFXYLXHBDWBE-UHOSZYNNSA-N 1 0 356.426 2.554 20 5 FFBDRO CN1CC[NH+](CC2(C)CCN(c3ccc([N+](=O)[O-])cc3F)CC2)CC1 ZINC000374930641 513078334 /nfs/dbraw/zinc/07/83/34/513078334.db2.gz SBYWWOCMJTULNO-UHFFFAOYSA-N 1 0 350.438 2.588 20 5 FFBDRO CN(C(=O)C[N@@H+]1CC[C@@H](Cc2ccncc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000374935495 513081061 /nfs/dbraw/zinc/08/10/61/513081061.db2.gz YJZRECVXLWBPIY-INIZCTEOSA-N 1 0 354.410 2.517 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H](c2ccccc2)[C@H]2CCOC2)c1 ZINC000374983158 513097216 /nfs/dbraw/zinc/09/72/16/513097216.db2.gz CEVVSUGWECPMJR-HQRMLTQVSA-N 1 0 372.421 2.702 20 5 FFBDRO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N(C1CC1)C1CC[NH2+]CC1 ZINC000370786554 513098440 /nfs/dbraw/zinc/09/84/40/513098440.db2.gz JXSMNRXQFXOLMD-UHFFFAOYSA-N 1 0 358.442 2.552 20 5 FFBDRO Cc1ncc2c(n1)CC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)C2 ZINC000368824407 513115194 /nfs/dbraw/zinc/11/51/94/513115194.db2.gz RZKFHNPHUFQXFM-CYBMUJFWSA-N 1 0 364.352 2.942 20 5 FFBDRO Cn1c(Sc2nccc3c2cccc3[N+](=O)[O-])nnc1[C@H]1CCC[NH2+]C1 ZINC000450342161 513150892 /nfs/dbraw/zinc/15/08/92/513150892.db2.gz QNXKOEQVNYHGBF-NSHDSACASA-N 1 0 370.438 2.890 20 5 FFBDRO C[NH+](C)[C@@]1(CNc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CCSC1 ZINC000450362560 513159000 /nfs/dbraw/zinc/15/90/00/513159000.db2.gz GQZDICZFTRKAPP-MRXNPFEDSA-N 1 0 364.496 2.989 20 5 FFBDRO CC(C)c1n[nH]c(C(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000433826646 513161152 /nfs/dbraw/zinc/16/11/52/513161152.db2.gz QPWLFUSHZOBAOI-OKILXGFUSA-N 1 0 365.478 2.929 20 5 FFBDRO COc1ccc(-c2ccc(C[NH2+]CC3(CC(N)=O)CC3)o2)c([N+](=O)[O-])c1 ZINC000421351260 513233805 /nfs/dbraw/zinc/23/38/05/513233805.db2.gz NMJWWWKDYSQMCS-UHFFFAOYSA-N 1 0 359.382 2.609 20 5 FFBDRO Cc1nc(N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)ncc1[N+](=O)[O-] ZINC000450537586 513240449 /nfs/dbraw/zinc/24/04/49/513240449.db2.gz DZGPVLMVAWHSSJ-IRXDYDNUSA-N 1 0 353.426 2.652 20 5 FFBDRO C[C@@H](CCNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)[NH+]1CCCCC1 ZINC000450558237 513250198 /nfs/dbraw/zinc/25/01/98/513250198.db2.gz FHTCZDJKLSABLX-HNNXBMFYSA-N 1 0 371.441 2.775 20 5 FFBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@@H](C)C1 ZINC000429017074 513255695 /nfs/dbraw/zinc/25/56/95/513255695.db2.gz DSFCSUUIWBDWTF-QWQRMKEZSA-N 1 0 361.442 2.623 20 5 FFBDRO C[NH+](C)CCN(Cc1ccco1)C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000446422917 513259286 /nfs/dbraw/zinc/25/92/86/513259286.db2.gz AHNGPVVRERWTCW-UHFFFAOYSA-N 1 0 361.398 2.547 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000429040832 513263937 /nfs/dbraw/zinc/26/39/37/513263937.db2.gz NGGQSHMYLVKPGJ-SIXWZSSISA-N 1 0 374.485 2.894 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCCC[NH2+]Cc1cccnc1 ZINC000415487745 513285721 /nfs/dbraw/zinc/28/57/21/513285721.db2.gz UNLCYHBGDRYABI-UHFFFAOYSA-N 1 0 357.414 2.908 20 5 FFBDRO Cc1ccc(S(=O)(=O)N2CCCc3cc(C[NH3+])ccc32)c([N+](=O)[O-])c1 ZINC000440411699 513315835 /nfs/dbraw/zinc/31/58/35/513315835.db2.gz TVHWBTXRPOWJFN-UHFFFAOYSA-N 1 0 361.423 2.503 20 5 FFBDRO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000434425226 513319601 /nfs/dbraw/zinc/31/96/01/513319601.db2.gz NTNITVJZABOXRF-SFHVURJKSA-N 1 0 369.425 2.527 20 5 FFBDRO Cc1c(NC(=O)N[C@H]2CC[NH2+][C@@H](C)C2)cc(Br)cc1[N+](=O)[O-] ZINC000415646791 513361017 /nfs/dbraw/zinc/36/10/17/513361017.db2.gz DHPHXILVOCSATQ-KWQFWETISA-N 1 0 371.235 2.928 20 5 FFBDRO Cc1c(CNC(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000418077665 513364078 /nfs/dbraw/zinc/36/40/78/513364078.db2.gz IBTGAWLDSANVNM-WMZOPIPTSA-N 1 0 360.458 2.967 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000415663421 513368698 /nfs/dbraw/zinc/36/86/98/513368698.db2.gz RZEIERSQWDZSBH-CQSZACIVSA-N 1 0 362.430 2.847 20 5 FFBDRO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000415687127 513381046 /nfs/dbraw/zinc/38/10/46/513381046.db2.gz ATLZNGWLGUAQRI-ZANVPECISA-N 1 0 369.219 2.573 20 5 FFBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000421713850 513383265 /nfs/dbraw/zinc/38/32/65/513383265.db2.gz UCNZJYAMMOBRNA-LLVKDONJSA-N 1 0 356.220 2.524 20 5 FFBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000421713851 513383597 /nfs/dbraw/zinc/38/35/97/513383597.db2.gz UCNZJYAMMOBRNA-NSHDSACASA-N 1 0 356.220 2.524 20 5 FFBDRO C[C@@H]([NH3+])C1CCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000415701407 513388478 /nfs/dbraw/zinc/38/84/78/513388478.db2.gz OJGADZZYTCSMGB-SECBINFHSA-N 1 0 371.235 2.948 20 5 FFBDRO C[C@@H]1CCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000415705264 513390897 /nfs/dbraw/zinc/39/08/97/513390897.db2.gz SWPSRAAPKJWDTI-RNCFNFMXSA-N 1 0 371.235 2.948 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N[C@H]3CCC[NH2+][C@@H]3C)cc2[N+](=O)[O-])C1 ZINC000434699970 513397953 /nfs/dbraw/zinc/39/79/53/513397953.db2.gz PSIGCEZRZWEUKY-FMKPAKJESA-N 1 0 360.458 2.701 20 5 FFBDRO CCN1CC[NH+](C[C@@H](C)CNc2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413085450 513434470 /nfs/dbraw/zinc/43/44/70/513434470.db2.gz WEPYSDADGGXABC-HNNXBMFYSA-N 1 0 357.458 2.829 20 5 FFBDRO COCCC[NH+]1CCC(Nc2ncc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000413107024 513450516 /nfs/dbraw/zinc/45/05/16/513450516.db2.gz BHZOCYKFRBVJRR-UHFFFAOYSA-N 1 0 362.352 2.921 20 5 FFBDRO NC(=O)c1ccnc(S[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000425283168 513489411 /nfs/dbraw/zinc/48/94/11/513489411.db2.gz OGVXPQWYJCLLNP-AWEZNQCLSA-N 1 0 372.450 2.845 20 5 FFBDRO Cc1ccc([C@@H](C)NC(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)cc1[N+](=O)[O-] ZINC000415953802 513497181 /nfs/dbraw/zinc/49/71/81/513497181.db2.gz GIJSIGBBIJZSOH-IUODEOHRSA-N 1 0 369.425 2.997 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]Cc2nccn2CC(F)(F)F)n1 ZINC000447531440 513498601 /nfs/dbraw/zinc/49/86/01/513498601.db2.gz RDCHKONOKCUTQC-NWDGAFQWSA-N 1 0 372.351 2.824 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCCOCC2CCOCC2)n1 ZINC000447538862 513501607 /nfs/dbraw/zinc/50/16/07/513501607.db2.gz DQFQKUPQDPPKAV-IAGOWNOFSA-N 1 0 366.462 2.698 20 5 FFBDRO Cc1nn(C)c(C)c1CCC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447588291 513515096 /nfs/dbraw/zinc/51/50/96/513515096.db2.gz UPRPCQZRTYSFJA-IAGOWNOFSA-N 1 0 360.462 2.848 20 5 FFBDRO Cc1ccc(C[C@H](CO)[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000447597644 513518607 /nfs/dbraw/zinc/51/86/07/513518607.db2.gz SWRMRGPKEYWYHF-KZNAEPCWSA-N 1 0 358.442 2.777 20 5 FFBDRO C[C@H]([NH2+]CCOc1ccc(S(C)(=O)=O)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000451108594 513529922 /nfs/dbraw/zinc/52/99/22/513529922.db2.gz XCYDDUBWRXAKJX-ZDUSSCGKSA-N 1 0 364.423 2.728 20 5 FFBDRO COc1ccc(CNC(=O)CC[N@@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000416135569 513589432 /nfs/dbraw/zinc/58/94/32/513589432.db2.gz QVWXPUGULYGBDB-UHFFFAOYSA-N 1 0 369.421 2.668 20 5 FFBDRO C[C@H](CCCC[NH3+])NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000418690865 513614238 /nfs/dbraw/zinc/61/42/38/513614238.db2.gz HHGRWGCPVSZQFP-CQSZACIVSA-N 1 0 364.446 2.665 20 5 FFBDRO C[C@@H](CCCC[NH3+])NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000418690864 513614587 /nfs/dbraw/zinc/61/45/87/513614587.db2.gz HHGRWGCPVSZQFP-AWEZNQCLSA-N 1 0 364.446 2.665 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C1CCOCC1)C1(CO)CCC1 ZINC000425536677 513626240 /nfs/dbraw/zinc/62/62/40/513626240.db2.gz HGFMKAFEAQBQNS-GOSISDBHSA-N 1 0 364.442 2.651 20 5 FFBDRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000418733342 513630463 /nfs/dbraw/zinc/63/04/63/513630463.db2.gz KQCXXPDQBPUJDY-KBQURWBOSA-N 1 0 372.469 3.000 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000447981088 513644871 /nfs/dbraw/zinc/64/48/71/513644871.db2.gz XWYXTDPTVKMKRP-INIZCTEOSA-N 1 0 364.446 2.523 20 5 FFBDRO O=C(N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000418779770 513655522 /nfs/dbraw/zinc/65/55/22/513655522.db2.gz BINGRNIIZSATSI-HRCADAONSA-N 1 0 358.442 2.657 20 5 FFBDRO O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000418783973 513656762 /nfs/dbraw/zinc/65/67/62/513656762.db2.gz GAXSGUOCGLJFQK-VNQPRFMTSA-N 1 0 358.442 2.657 20 5 FFBDRO O=C(CN1CCC([NH2+]CC2CC2)CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000430577548 513692947 /nfs/dbraw/zinc/69/29/47/513692947.db2.gz OBWLWJGFRXTYIH-UHFFFAOYSA-N 1 0 366.849 2.651 20 5 FFBDRO C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3)nc2)C1 ZINC000448176218 513699225 /nfs/dbraw/zinc/69/92/25/513699225.db2.gz CRNPBCLDMUUFOW-HNNXBMFYSA-N 1 0 373.388 2.522 20 5 FFBDRO COc1ccc(NC(=O)C[N@@H+]2C[C@@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)c([N+](=O)[O-])c1 ZINC000451373550 513708220 /nfs/dbraw/zinc/70/82/20/513708220.db2.gz RPOMRGYIYSJGTJ-IZSNYMMISA-N 1 0 357.410 2.686 20 5 FFBDRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000418993579 513710055 /nfs/dbraw/zinc/71/00/55/513710055.db2.gz HCHVNPXWVHKTED-KBPBESRZSA-N 1 0 374.416 2.687 20 5 FFBDRO O=C(C[N@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000451432886 513749653 /nfs/dbraw/zinc/74/96/53/513749653.db2.gz ZZFWPUNNXRUBIU-XNRPHZJLSA-N 1 0 367.833 2.812 20 5 FFBDRO CC[N@@H+]1CC[C@@H](CNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000436072867 513752330 /nfs/dbraw/zinc/75/23/30/513752330.db2.gz CRKQESBMFHDJOB-ZDUSSCGKSA-N 1 0 367.424 2.892 20 5 FFBDRO CCO[C@H]1CC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C[C@@H]1C ZINC000451522734 513806773 /nfs/dbraw/zinc/80/67/73/513806773.db2.gz BRHLXPCNNKXSNP-BBRMVZONSA-N 1 0 363.414 2.640 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1N1CC[NH+](CCc3cccs3)CC1)CCN2 ZINC000436312401 513823230 /nfs/dbraw/zinc/82/32/30/513823230.db2.gz ZUXVUZVCPNYURP-UHFFFAOYSA-N 1 0 358.467 2.989 20 5 FFBDRO COCCC[NH+]1CCC(Nc2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000436386350 513842779 /nfs/dbraw/zinc/84/27/79/513842779.db2.gz HWTGAFPGUSAVHZ-UHFFFAOYSA-N 1 0 362.352 2.921 20 5 FFBDRO CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000451588444 513850217 /nfs/dbraw/zinc/85/02/17/513850217.db2.gz FLXCVJOURGRBPN-CABCVRRESA-N 1 0 363.414 2.553 20 5 FFBDRO CC(C)[C@@H](CO)[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C(C)C ZINC000451603883 513861288 /nfs/dbraw/zinc/86/12/88/513861288.db2.gz XTWLSZMSONBJTQ-KDOFPFPSSA-N 1 0 351.447 2.802 20 5 FFBDRO C[C@@H]1CN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@H](C)[N@H+]1C ZINC000436506335 513876698 /nfs/dbraw/zinc/87/66/98/513876698.db2.gz WDHWAFFDWQCTIW-AOOOYVTPSA-N 1 0 358.345 2.753 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@@H](CO)CC(C)(C)C ZINC000451777276 513974552 /nfs/dbraw/zinc/97/45/52/513974552.db2.gz IFQPOYQLUNDYNV-CQSZACIVSA-N 1 0 367.446 2.661 20 5 FFBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000451821128 514002642 /nfs/dbraw/zinc/00/26/42/514002642.db2.gz FXUVFJBKVYFGHC-CQSZACIVSA-N 1 0 359.430 2.631 20 5 FFBDRO C[C@@H]1CN(CC(F)(F)F)CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000451868842 514033128 /nfs/dbraw/zinc/03/31/28/514033128.db2.gz DZNRCHVHUUDGCH-ZDUSSCGKSA-N 1 0 361.364 2.790 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCN(Cc2ccccc2)C1=O ZINC000449109750 514075122 /nfs/dbraw/zinc/07/51/22/514075122.db2.gz YAUUWDQLOPNQIZ-CRAIPNDOSA-N 1 0 353.422 2.917 20 5 FFBDRO CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])ncn1 ZINC000449125361 514081624 /nfs/dbraw/zinc/08/16/24/514081624.db2.gz RWOPJXHIJQSLMM-GDBMZVCRSA-N 1 0 370.457 2.616 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2noc(CN3CCC([C@@H]4CCC[NH2+]4)CC3)n2)c1 ZINC000420332150 514098622 /nfs/dbraw/zinc/09/86/22/514098622.db2.gz GEELFROVYLNZCI-INIZCTEOSA-N 1 0 357.414 2.609 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C[C@H]1C ZINC000444025920 514102899 /nfs/dbraw/zinc/10/28/99/514102899.db2.gz RVNOJVDCUXYVGB-CHWSQXEVSA-N 1 0 350.419 2.940 20 5 FFBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444034565 514103570 /nfs/dbraw/zinc/10/35/70/514103570.db2.gz HWGMBTCADKBVMK-GFCCVEGCSA-N 1 0 353.397 2.644 20 5 FFBDRO COCC[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccc(F)c(Cl)c1 ZINC000451972877 514103938 /nfs/dbraw/zinc/10/39/38/514103938.db2.gz GDRFGLVYKNYPMW-UHFFFAOYSA-N 1 0 356.785 2.732 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000449200153 514109178 /nfs/dbraw/zinc/10/91/78/514109178.db2.gz BAVZJTDVGMSTPF-KBPBESRZSA-N 1 0 354.410 2.605 20 5 FFBDRO C[C@@H](C[NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccc(S(C)(=O)=O)cc1 ZINC000449201939 514109487 /nfs/dbraw/zinc/10/94/87/514109487.db2.gz FBOBOBOEEKREHT-AWEZNQCLSA-N 1 0 362.451 2.934 20 5 FFBDRO COc1cc(CN[C@H]2CC[NH2+]CC2(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000420361383 514110120 /nfs/dbraw/zinc/11/01/20/514110120.db2.gz MEQHBOUAWAJRHK-AWEZNQCLSA-N 1 0 359.373 2.683 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000449213750 514117011 /nfs/dbraw/zinc/11/70/11/514117011.db2.gz VRCKWVYYCIIITJ-DGCLKSJQSA-N 1 0 359.348 2.669 20 5 FFBDRO C[C@H]1CN(C(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C[C@@H]1[NH+](C)C ZINC000444156598 514138956 /nfs/dbraw/zinc/13/89/56/514138956.db2.gz DFUFSVFWDLXSCZ-SJCJKPOMSA-N 1 0 367.424 2.843 20 5 FFBDRO CCO[C@@H]1CCCC[C@H]1[NH2+][C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000452033051 514148318 /nfs/dbraw/zinc/14/83/18/514148318.db2.gz FHGVUEAQRUAEFS-SUYBPPKGSA-N 1 0 365.430 2.868 20 5 FFBDRO C[C@H](NC[C@@H]1C[NH2+]CCN1C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000423481859 514149484 /nfs/dbraw/zinc/14/94/84/514149484.db2.gz QYFDOSCQDUNVHX-KBPBESRZSA-N 1 0 360.483 2.878 20 5 FFBDRO CC[N@H+](CCNC(=O)Cc1cccc([N+](=O)[O-])c1C)CCC(F)(F)F ZINC000427207138 514150274 /nfs/dbraw/zinc/15/02/74/514150274.db2.gz WKQFISMBOQUGHZ-UHFFFAOYSA-N 1 0 361.364 2.836 20 5 FFBDRO CCc1ccc([C@H](NC[C@@H]2C[NH2+]CCCO2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000423493250 514150752 /nfs/dbraw/zinc/15/07/52/514150752.db2.gz PSNUURVFCCYLHZ-PKOBYXMFSA-N 1 0 359.426 2.808 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000423522748 514161236 /nfs/dbraw/zinc/16/12/36/514161236.db2.gz YDAIYWOWDUNGHB-AWEZNQCLSA-N 1 0 354.410 2.983 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000427360232 514193944 /nfs/dbraw/zinc/19/39/44/514193944.db2.gz YLFODJVQHIYHCE-KBXCAEBGSA-N 1 0 369.421 2.854 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000427360235 514194546 /nfs/dbraw/zinc/19/45/46/514194546.db2.gz YLFODJVQHIYHCE-RDTXWAMCSA-N 1 0 369.421 2.854 20 5 FFBDRO CN(CC[N@H+](C)C1CC1)C(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444333979 514196814 /nfs/dbraw/zinc/19/68/14/514196814.db2.gz DRHIHNXAKGVEEH-UHFFFAOYSA-N 1 0 367.424 2.987 20 5 FFBDRO NC(=O)c1cccc([N+](=O)[O-])c1NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000420601218 514197393 /nfs/dbraw/zinc/19/73/93/514197393.db2.gz NDVQRGZMSYRDPC-HNNXBMFYSA-N 1 0 354.410 2.770 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H](Cc2ccccc2)c2ccccc2)c1 ZINC000437639228 514200358 /nfs/dbraw/zinc/20/03/58/514200358.db2.gz ILAYRHWAKCEWOE-PMACEKPBSA-N 1 0 366.421 2.726 20 5 FFBDRO CC[C@@H]1[C@H](CO)CC[N@@H+]1Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000449421968 514204972 /nfs/dbraw/zinc/20/49/72/514204972.db2.gz MFJQCTHGMDQNNE-CMPLNLGQSA-N 1 0 360.357 2.798 20 5 FFBDRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000423698950 514205872 /nfs/dbraw/zinc/20/58/72/514205872.db2.gz OMLIAZUKFWLHFM-BXKDBHETSA-N 1 0 356.220 2.605 20 5 FFBDRO O=C(NCCC[C@@H]1CCC[NH2+]1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000423710101 514208609 /nfs/dbraw/zinc/20/86/09/514208609.db2.gz WYDVAKCGSQAYNC-LBPRGKRZSA-N 1 0 356.220 2.619 20 5 FFBDRO O=C(c1cnn([C@H]2CCC[NH2+]C2)c1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423718089 514209296 /nfs/dbraw/zinc/20/92/96/514209296.db2.gz BTYOMDMIHCVFQK-KRWDZBQOSA-N 1 0 369.425 2.521 20 5 FFBDRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000417172730 514209899 /nfs/dbraw/zinc/20/98/99/514209899.db2.gz GIEVURGPKJYGJT-KRWDZBQOSA-N 1 0 372.425 2.665 20 5 FFBDRO C[NH2+][C@@H](C)Cc1noc(-c2cc(Br)c(C)c([N+](=O)[O-])c2)n1 ZINC000414641710 514218025 /nfs/dbraw/zinc/21/80/25/514218025.db2.gz ITUFLTILDHCMNR-ZETCQYMHSA-N 1 0 355.192 2.866 20 5 FFBDRO [NH3+]C[C@H]1CC[C@@H](NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000423747241 514218202 /nfs/dbraw/zinc/21/82/02/514218202.db2.gz QERLGJMEIPHYKG-CMPLNLGQSA-N 1 0 371.387 2.817 20 5 FFBDRO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000417223563 514243676 /nfs/dbraw/zinc/24/36/76/514243676.db2.gz HCRFRSQPEGOWHB-KRWDZBQOSA-N 1 0 360.458 2.557 20 5 FFBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437987926 514283498 /nfs/dbraw/zinc/28/34/98/514283498.db2.gz RMXSVURGFNEJAY-SUMWQHHRSA-N 1 0 358.442 2.752 20 5 FFBDRO COCc1nc2n(n1)C[C@@H]([NH2+][C@H]1CCCCc3ccc([N+](=O)[O-])cc31)CC2 ZINC000417313445 514288659 /nfs/dbraw/zinc/28/86/59/514288659.db2.gz VZJDMBHSIUVPFX-YOEHRIQHSA-N 1 0 371.441 2.705 20 5 FFBDRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)c1cc2ccccc2c2cccnc12 ZINC000452343040 514293682 /nfs/dbraw/zinc/29/36/82/514293682.db2.gz ANGWZCRUPJGFFJ-KRWDZBQOSA-N 1 0 363.461 2.965 20 5 FFBDRO C[C@H](NS(=O)(=O)c1ccc(C[NH+](C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000432858137 514304268 /nfs/dbraw/zinc/30/42/68/514304268.db2.gz HVZHIXLLAVKNMJ-ZDUSSCGKSA-N 1 0 363.439 2.696 20 5 FFBDRO CC(C)c1ccc(CN2CC[NH+]([C@H]3CCNC(=O)CC3)CC2)cc1[N+](=O)[O-] ZINC000449700177 514312175 /nfs/dbraw/zinc/31/21/75/514312175.db2.gz PTMWOGSFLPIIIM-QGZVFWFLSA-N 1 0 374.485 2.505 20 5 FFBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000423973848 514317338 /nfs/dbraw/zinc/31/73/38/514317338.db2.gz NAJHGTJYAZOCIG-MAUKXSAKSA-N 1 0 360.458 2.778 20 5 FFBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000423999285 514330860 /nfs/dbraw/zinc/33/08/60/514330860.db2.gz NCPFLGVZZIDSIF-GOSISDBHSA-N 1 0 354.410 2.570 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N3CC[C@@H](C)[C@H](C[NH3+])C3)cc2[N+](=O)[O-])CC1 ZINC000424011714 514339664 /nfs/dbraw/zinc/33/96/64/514339664.db2.gz JEUIQMLLKQIUDL-NVXWUHKLSA-N 1 0 374.485 2.888 20 5 FFBDRO C[C@@H]1CCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]1C[NH3+] ZINC000424028719 514347476 /nfs/dbraw/zinc/34/74/76/514347476.db2.gz YYAUZGIZQQVIGO-DGCLKSJQSA-N 1 0 360.439 2.775 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCO[C@@H](c2nccn2C)C1 ZINC000449779145 514349308 /nfs/dbraw/zinc/34/93/08/514349308.db2.gz XMIXWSREEMWQEU-RHSMWYFYSA-N 1 0 360.414 2.737 20 5 FFBDRO C[C@@H](CNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[N@@H+]1CCCC[C@H]1C ZINC000444850051 514351131 /nfs/dbraw/zinc/35/11/31/514351131.db2.gz NXVSPXIIPWBEMQ-OLZOCXBDSA-N 1 0 374.445 2.533 20 5 FFBDRO COc1cc(C[N@@H+]2CC[C@H](CCCO)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000449792022 514353178 /nfs/dbraw/zinc/35/31/78/514353178.db2.gz RBIBBGHNEQKKQW-LBPRGKRZSA-N 1 0 374.384 2.842 20 5 FFBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)C[C@@H]21 ZINC000414956311 514375870 /nfs/dbraw/zinc/37/58/70/514375870.db2.gz VEWLHXNMLNPMDB-ZMLRMANQSA-N 1 0 370.356 2.787 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2nc(CN[C@@H]3C[NH2+]CCC3(F)F)cs2)c1 ZINC000415003363 514397753 /nfs/dbraw/zinc/39/77/53/514397753.db2.gz OXRZCLUNILNZQS-CYBMUJFWSA-N 1 0 354.382 2.805 20 5 FFBDRO [NH3+][C@H](CCC(=O)N1CCc2ncc([N+](=O)[O-])cc2C1)CC1CCCCC1 ZINC000424169287 514405378 /nfs/dbraw/zinc/40/53/78/514405378.db2.gz JMOWKVCJOKGMDX-MRXNPFEDSA-N 1 0 360.458 2.952 20 5 FFBDRO COC(=O)c1cc([C@@H](C)[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)oc1C ZINC000433204954 514420361 /nfs/dbraw/zinc/42/03/61/514420361.db2.gz BHHRCKKWZOSJRZ-LLVKDONJSA-N 1 0 362.386 2.877 20 5 FFBDRO Cc1cc(NC(=O)C2CC[NH+]([C@@H](C)c3ccccc3[N+](=O)[O-])CC2)no1 ZINC000438647653 514420309 /nfs/dbraw/zinc/42/03/09/514420309.db2.gz IAPMLHZLWREVIQ-ZDUSSCGKSA-N 1 0 358.398 2.725 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCC[N@@H+]1CCCC(C)(C)C1 ZINC000445255803 514453490 /nfs/dbraw/zinc/45/34/90/514453490.db2.gz ZMOXGRKIMYSUNE-UHFFFAOYSA-N 1 0 364.446 2.525 20 5 FFBDRO Cc1c(CC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000438904680 514464778 /nfs/dbraw/zinc/46/47/78/514464778.db2.gz VQUZOIZGPFPTEC-SFHVURJKSA-N 1 0 353.422 2.836 20 5 FFBDRO Cc1ccc([C@H](CNc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)[NH+](C)C)cc1 ZINC000439156451 514501704 /nfs/dbraw/zinc/50/17/04/514501704.db2.gz DDBSGKLUHPXCKI-KRWDZBQOSA-N 1 0 367.409 2.689 20 5 FFBDRO C[N@H+](CC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)[C@@H]1CCSC1 ZINC000452863719 514523480 /nfs/dbraw/zinc/52/34/80/514523480.db2.gz VXOXRWBQHVYDDD-NVXWUHKLSA-N 1 0 363.483 2.738 20 5 FFBDRO CCOC(=O)[C@]1(COC)CCC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000439485731 514564871 /nfs/dbraw/zinc/56/48/71/514564871.db2.gz UOGXGTOPEJHNRW-GOSISDBHSA-N 1 0 350.415 2.695 20 5 FFBDRO Cc1nc(NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)ncc1[N+](=O)[O-] ZINC000450256796 514567475 /nfs/dbraw/zinc/56/74/75/514567475.db2.gz INNRRDNVGCNYPZ-AWEZNQCLSA-N 1 0 355.442 2.959 20 5 FFBDRO C[C@H](c1ccccc1)[C@@H](O)C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000450260844 514569664 /nfs/dbraw/zinc/56/96/64/514569664.db2.gz LFTBNINCKMNUOX-UZLBHIALSA-N 1 0 355.438 2.881 20 5 FFBDRO O=C1[C@@H]([NH2+][C@@H]2CCCC[C@H]2OC(F)F)CCN1c1cccc([N+](=O)[O-])c1 ZINC000502538034 514684500 /nfs/dbraw/zinc/68/45/00/514684500.db2.gz APWFQXRNNUKRJU-QLFBSQMISA-N 1 0 369.368 2.840 20 5 FFBDRO C[C@@H]1C[N@@H+](Cc2ccc(CNc3ccncc3[N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000508228401 514714376 /nfs/dbraw/zinc/71/43/76/514714376.db2.gz AMJLFEGHECZAPY-GASCZTMLSA-N 1 0 356.426 2.633 20 5 FFBDRO Cc1cc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000489179375 514740537 /nfs/dbraw/zinc/74/05/37/514740537.db2.gz ZAEKPCMZZXICNV-DOTOQJQBSA-N 1 0 353.426 2.821 20 5 FFBDRO C[NH+](C)C[C@H](NC(=O)NCCc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000484692275 514750919 /nfs/dbraw/zinc/75/09/19/514750919.db2.gz BCCKZEMCFSFGIR-SFHVURJKSA-N 1 0 374.416 2.879 20 5 FFBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)NCCc2ccccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000489416114 514837401 /nfs/dbraw/zinc/83/74/01/514837401.db2.gz YYMHWPAUFUCVHA-HDMKZQKVSA-N 1 0 360.458 2.509 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]1C ZINC000484929722 514847908 /nfs/dbraw/zinc/84/79/08/514847908.db2.gz XZZUPTUKEOZWMH-BBRMVZONSA-N 1 0 359.430 2.949 20 5 FFBDRO CC[NH+](CC)[C@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)c1ccsc1 ZINC000498369890 514884864 /nfs/dbraw/zinc/88/48/64/514884864.db2.gz XGCGYUIWSLGHIQ-CQSZACIVSA-N 1 0 350.444 2.808 20 5 FFBDRO C[NH+](C)[C@@]1(CNc2ncc([N+](=O)[O-])cc2Br)CCSC1 ZINC000485154080 514938203 /nfs/dbraw/zinc/93/82/03/514938203.db2.gz UCQOZOHUZRVVQS-GFCCVEGCSA-N 1 0 361.265 2.602 20 5 FFBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2Br)C[C@H]1C ZINC000498569550 514977373 /nfs/dbraw/zinc/97/73/73/514977373.db2.gz APAHKWGQNLHEOD-GHMZBOCLSA-N 1 0 370.247 2.912 20 5 FFBDRO C[NH+](C)CCCC(C)(C)NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000456211312 515026253 /nfs/dbraw/zinc/02/62/53/515026253.db2.gz XXFUMYOIRUZRPU-UHFFFAOYSA-N 1 0 359.430 2.631 20 5 FFBDRO CCN(C(=O)c1cc([N+](=O)[O-])nn1C)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000476381881 515027461 /nfs/dbraw/zinc/02/74/61/515027461.db2.gz YEYXDRGEKZQOAK-ZBFHGGJFSA-N 1 0 371.441 2.626 20 5 FFBDRO O=C(Nc1cccc(C[NH+]2CCC(O)CC2)c1)c1ccc(F)cc1[N+](=O)[O-] ZINC000467644682 515068289 /nfs/dbraw/zinc/06/82/89/515068289.db2.gz VVPQALBXKGSMQF-UHFFFAOYSA-N 1 0 373.384 2.943 20 5 FFBDRO COc1cc(CN2CCC[C@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000490035394 515077743 /nfs/dbraw/zinc/07/77/43/515077743.db2.gz WXZXVENGEKSJHP-QGZVFWFLSA-N 1 0 371.384 2.780 20 5 FFBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000480784386 515082115 /nfs/dbraw/zinc/08/21/15/515082115.db2.gz CIZKNHPYWSEJTI-UHFFFAOYSA-N 1 0 369.487 2.558 20 5 FFBDRO COc1ccc(-c2ccc(C[NH2+]CCc3nc(C)n[nH]3)o2)c([N+](=O)[O-])c1 ZINC000503575665 515085478 /nfs/dbraw/zinc/08/54/78/515085478.db2.gz IFHRUOHNTXHBIX-UHFFFAOYSA-N 1 0 357.370 2.622 20 5 FFBDRO CCCC[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])C(=O)Nc1cc(C)on1 ZINC000467979262 515184933 /nfs/dbraw/zinc/18/49/33/515184933.db2.gz LBDUAKVWXQISCH-OAHLLOKOSA-N 1 0 360.414 2.643 20 5 FFBDRO CC[C@@H](C)[NH+]1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000456519610 515232598 /nfs/dbraw/zinc/23/25/98/515232598.db2.gz ATGJBMPFGCVJJS-CYBMUJFWSA-N 1 0 351.422 2.954 20 5 FFBDRO Cc1c(Br)cc(C(=O)N[C@H](C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000509632910 515265901 /nfs/dbraw/zinc/26/59/01/515265901.db2.gz IGKSPEKQAJUOIL-SECBINFHSA-N 1 0 358.236 2.736 20 5 FFBDRO CNc1c(C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000462925299 515301473 /nfs/dbraw/zinc/30/14/73/515301473.db2.gz LVIDWARKIHFLBW-INIZCTEOSA-N 1 0 360.389 2.808 20 5 FFBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000486033027 515305150 /nfs/dbraw/zinc/30/51/50/515305150.db2.gz ZOVDQCNVCMOBJM-LBPRGKRZSA-N 1 0 355.385 2.652 20 5 FFBDRO CC[N@H+](CCNC(=O)c1cccc([N+](=O)[O-])c1OC)CCC(F)(F)F ZINC000477123799 515338142 /nfs/dbraw/zinc/33/81/42/515338142.db2.gz SUTKOYUWWNCIAP-UHFFFAOYSA-N 1 0 363.336 2.608 20 5 FFBDRO O=C(CC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)NCc1ccccc1 ZINC000472629466 515343554 /nfs/dbraw/zinc/34/35/54/515343554.db2.gz LFIYEMMPEZRWDV-IAGOWNOFSA-N 1 0 371.441 2.571 20 5 FFBDRO C[C@H]1C[C@@H](CCNC(=O)c2ccc([N+](=O)[O-])n2C)C[N@@H+]1Cc1ccccc1 ZINC000510150546 515451643 /nfs/dbraw/zinc/45/16/43/515451643.db2.gz WMKVEKYAKKDKMB-DOTOQJQBSA-N 1 0 370.453 2.964 20 5 FFBDRO CC[C@@H](C)[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)CC(=O)OC ZINC000499789705 515455831 /nfs/dbraw/zinc/45/58/31/515455831.db2.gz IGIIMXLUQNLYQK-CYBMUJFWSA-N 1 0 351.403 2.505 20 5 FFBDRO C[C@H](NS(=O)(=O)c1ccc(C[NH+](C)C)cc1)c1ccccc1[N+](=O)[O-] ZINC000477482111 515474328 /nfs/dbraw/zinc/47/43/28/515474328.db2.gz FTXCRAWMEATCER-ZDUSSCGKSA-N 1 0 363.439 2.696 20 5 FFBDRO C[C@@H]1C[C@@H](CCNC(=O)c2cc([N+](=O)[O-])c[nH]2)C[N@@H+]1Cc1ccccc1 ZINC000510231772 515476366 /nfs/dbraw/zinc/47/63/66/515476366.db2.gz ZIGDTZGKQLKOPV-GDBMZVCRSA-N 1 0 356.426 2.953 20 5 FFBDRO CC(C)O[C@@H]1C[C@H]([NH2+][C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1(C)C ZINC000463401867 515476874 /nfs/dbraw/zinc/47/68/74/515476874.db2.gz BUSDEFQYHFMRSQ-YESZJQIVSA-N 1 0 361.442 2.882 20 5 FFBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000499879357 515491128 /nfs/dbraw/zinc/49/11/28/515491128.db2.gz RZFIRMGACYIUBD-UKRRQHHQSA-N 1 0 354.410 2.742 20 5 FFBDRO CC(C)[C@H]1CN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000486512978 515518516 /nfs/dbraw/zinc/51/85/16/515518516.db2.gz KUFIYNMNKGOOTF-GOSISDBHSA-N 1 0 362.474 2.899 20 5 FFBDRO CN(CC(=O)N1CC[NH+](CC2CCCCC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000463520896 515533479 /nfs/dbraw/zinc/53/34/79/515533479.db2.gz WRZVKHSDWPDVGP-UHFFFAOYSA-N 1 0 374.485 2.756 20 5 FFBDRO CCCN(CC[NH+]1CCCCC1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000510487888 515553963 /nfs/dbraw/zinc/55/39/63/515553963.db2.gz CPRYPIJRDNBTLY-UHFFFAOYSA-N 1 0 369.487 2.790 20 5 FFBDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000473285765 515564220 /nfs/dbraw/zinc/56/42/20/515564220.db2.gz YKDZQYRNDJYHKS-UOIKSKOESA-N 1 0 356.426 2.809 20 5 FFBDRO O=[N+]([O-])c1cc2ccccc2nc1NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000473514556 515641125 /nfs/dbraw/zinc/64/11/25/515641125.db2.gz WOVMKKDWORGHQE-HKUYNNGSSA-N 1 0 370.453 2.745 20 5 FFBDRO C[N@@H+]1CCCC[C@H]1CN1CCN(c2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000473514413 515641615 /nfs/dbraw/zinc/64/16/15/515641615.db2.gz RPYYADMZQOYIHP-KRWDZBQOSA-N 1 0 369.469 2.749 20 5 FFBDRO C[C@@H]1[C@H](NC(=O)COc2cccc([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000494045866 515719283 /nfs/dbraw/zinc/71/92/83/515719283.db2.gz CNRPIDYKQMBXLO-DNVCBOLYSA-N 1 0 369.421 2.753 20 5 FFBDRO C[C@H]1CCCN(c2ccc(C(=O)NC(C)(C)C[NH+](C)C)cc2[N+](=O)[O-])C1 ZINC000457223692 515735521 /nfs/dbraw/zinc/73/55/21/515735521.db2.gz PXTBEQRJAKRBIX-AWEZNQCLSA-N 1 0 362.474 2.901 20 5 FFBDRO C[N@@H+](Cc1cccc2[nH]ccc21)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000494110026 515736688 /nfs/dbraw/zinc/73/66/88/515736688.db2.gz YFKVCCIPFNHOSM-HNNXBMFYSA-N 1 0 355.394 2.948 20 5 FFBDRO CCC[C@@H]([NH2+]CCS(=O)(=O)N(CC)CC)c1cccc([N+](=O)[O-])c1 ZINC000482617674 515739084 /nfs/dbraw/zinc/73/90/84/515739084.db2.gz DUSVHAQLFGQLCZ-MRXNPFEDSA-N 1 0 357.476 2.697 20 5 FFBDRO C[NH+](C)CC1CCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000511040423 515754291 /nfs/dbraw/zinc/75/42/91/515754291.db2.gz PITVVPJWFCKECA-UHFFFAOYSA-N 1 0 374.485 2.611 20 5 FFBDRO CC[C@@H]1OCC[C@H]1[NH2+]Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000459771854 515796822 /nfs/dbraw/zinc/79/68/22/515796822.db2.gz ISURDBKAEFYETJ-YPMHNXCESA-N 1 0 360.357 2.904 20 5 FFBDRO O=C(CC[N@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000459802556 515816214 /nfs/dbraw/zinc/81/62/14/515816214.db2.gz MPVPSWKPEAMVQJ-ZWKOTPCHSA-N 1 0 361.442 2.796 20 5 FFBDRO CCCN(CC[NH+]1CCCC1)S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000511341628 515870487 /nfs/dbraw/zinc/87/04/87/515870487.db2.gz DRTVJIXYMBORDK-UHFFFAOYSA-N 1 0 369.487 2.708 20 5 FFBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000511531534 515936140 /nfs/dbraw/zinc/93/61/40/515936140.db2.gz ZCBCDKMMHDRFFJ-JKSUJKDBSA-N 1 0 362.474 2.899 20 5 FFBDRO CCOCCC[N@@H+]1CC[C@@H](NCc2ccc([N+](=O)[O-])c(OC)c2)[C@@H](C)C1 ZINC000469789544 515965980 /nfs/dbraw/zinc/96/59/80/515965980.db2.gz YUHBGXAFAWJMQL-DOTOQJQBSA-N 1 0 365.474 2.830 20 5 FFBDRO C[C@H]1C[C@H](NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000487819716 515991242 /nfs/dbraw/zinc/99/12/42/515991242.db2.gz QCAGYOWAQVDGCG-FZMZJTMJSA-N 1 0 366.849 2.715 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@H]1C[NH+](C)C ZINC000464925375 516016639 /nfs/dbraw/zinc/01/66/39/516016639.db2.gz IUHGHZWXEHFKCY-YPMHNXCESA-N 1 0 355.822 2.568 20 5 FFBDRO C[NH+](C)[C@H](CNC(=O)NCCc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000465527172 516180361 /nfs/dbraw/zinc/18/03/61/516180361.db2.gz HATBIXWYWPDWQB-GOSISDBHSA-N 1 0 362.474 2.947 20 5 FFBDRO CC[NH+](CC)CC1CCN(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000488364212 516206854 /nfs/dbraw/zinc/20/68/54/516206854.db2.gz VEOMGCGWJOHGRG-UHFFFAOYSA-N 1 0 362.474 2.896 20 5 FFBDRO C[C@@H]([NH2+]C1(CNC(=O)c2cc([N+](=O)[O-])n[nH]2)CCCC1)c1ccccc1 ZINC000512256192 516214640 /nfs/dbraw/zinc/21/46/40/516214640.db2.gz AFIUDKADVDPGAC-CYBMUJFWSA-N 1 0 357.414 2.711 20 5 FFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000488475661 516235215 /nfs/dbraw/zinc/23/52/15/516235215.db2.gz JRGBBCHHLSPYIU-ZBFHGGJFSA-N 1 0 356.426 2.574 20 5 FFBDRO CC(C)NC(=O)c1ccc(N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000488716166 516292908 /nfs/dbraw/zinc/29/29/08/516292908.db2.gz QYQXYXXDHYYAHS-RVKKMQEKSA-N 1 0 374.485 2.900 20 5 FFBDRO CCS(=O)(=O)N1CCC(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000543628085 516335935 /nfs/dbraw/zinc/33/59/35/516335935.db2.gz JNMQOULAGPAEBP-CQSZACIVSA-N 1 0 369.487 2.616 20 5 FFBDRO CC[NH+](CC)CCN(CCOC)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000522883920 516340869 /nfs/dbraw/zinc/34/08/69/516340869.db2.gz CTHQNTPZVDQYRU-UHFFFAOYSA-N 1 0 357.838 2.679 20 5 FFBDRO CCN(CC[NH+]1CCCCCC1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000554270861 516353541 /nfs/dbraw/zinc/35/35/41/516353541.db2.gz ACLUUHYUGRBIRF-SFHVURJKSA-N 1 0 365.474 2.532 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC2CCC(C[NH+](C)C)CC2)c1 ZINC000543675198 516361077 /nfs/dbraw/zinc/36/10/77/516361077.db2.gz RMACPSQUHCLWMU-UHFFFAOYSA-N 1 0 369.487 2.610 20 5 FFBDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000539983488 516387507 /nfs/dbraw/zinc/38/75/07/516387507.db2.gz IHLDAUZOASKZFD-UHFFFAOYSA-N 1 0 371.441 2.707 20 5 FFBDRO CNc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccc(C)o2)cc1[N+](=O)[O-] ZINC000523674900 516541424 /nfs/dbraw/zinc/54/14/24/516541424.db2.gz JFYUXIZWYVGIFK-UHFFFAOYSA-N 1 0 360.414 2.742 20 5 FFBDRO CC(C)Oc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]2)[NH+](C)C)cc1 ZINC000554639036 516560483 /nfs/dbraw/zinc/56/04/83/516560483.db2.gz MYKDPZNRWOPJIL-QGZVFWFLSA-N 1 0 360.414 2.743 20 5 FFBDRO CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000547799411 516570212 /nfs/dbraw/zinc/57/02/12/516570212.db2.gz ZDQRYPLGPMFSEF-MRXNPFEDSA-N 1 0 371.441 2.727 20 5 FFBDRO Cc1cc(S(=O)(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000523863383 516597859 /nfs/dbraw/zinc/59/78/59/516597859.db2.gz PWQXHXRLVMPVBW-HNNXBMFYSA-N 1 0 357.476 2.548 20 5 FFBDRO CN(Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000513467897 516636890 /nfs/dbraw/zinc/63/68/90/516636890.db2.gz ZGXQYJAAWMKDCM-SFHVURJKSA-N 1 0 355.442 2.664 20 5 FFBDRO CS[C@@H]1CN(c2ccc(Br)cc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000536172936 516663672 /nfs/dbraw/zinc/66/36/72/516663672.db2.gz LTGLGBSKHARNNN-CHWSQXEVSA-N 1 0 360.277 2.839 20 5 FFBDRO C[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C1CCN(CCO)CC1 ZINC000513579127 516676541 /nfs/dbraw/zinc/67/65/41/516676541.db2.gz UHYPFCCHNIEBJX-UHFFFAOYSA-N 1 0 359.426 2.743 20 5 FFBDRO C[C@@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000513677677 516715015 /nfs/dbraw/zinc/71/50/15/516715015.db2.gz AJWAIMKGXAVCAT-ZDUSSCGKSA-N 1 0 353.378 2.759 20 5 FFBDRO CC[C@@H]([NH2+]C[C@@H](O)COc1ccc2c(c1)OCO2)c1cccc([N+](=O)[O-])c1 ZINC000531951605 516729685 /nfs/dbraw/zinc/72/96/85/516729685.db2.gz YMXQWHJLVSETPT-NVXWUHKLSA-N 1 0 374.393 2.804 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)c1 ZINC000555044191 516756590 /nfs/dbraw/zinc/75/65/90/516756590.db2.gz IMXFZCNJGUQRLF-OAHLLOKOSA-N 1 0 361.442 2.797 20 5 FFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CCN3CCCc4ccccc43)C2)nc1 ZINC000536425931 516759128 /nfs/dbraw/zinc/75/91/28/516759128.db2.gz IEZSMBVHIVHXBV-QGZVFWFLSA-N 1 0 367.453 2.929 20 5 FFBDRO C[C@@H]1CCC[C@](CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)([NH+](C)C)C1 ZINC000518810962 516783887 /nfs/dbraw/zinc/78/38/87/516783887.db2.gz IRZJEPYJEUGTHS-XIKOKIGWSA-N 1 0 359.430 2.711 20 5 FFBDRO COc1ccc(CNc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)c(OC)n1 ZINC000518850721 516796759 /nfs/dbraw/zinc/79/67/59/516796759.db2.gz VPSGFKSYUAUPBU-UHFFFAOYSA-N 1 0 354.366 2.898 20 5 FFBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@@H](c2cncc(Br)c2)C2CC2)n1 ZINC000551721025 516840445 /nfs/dbraw/zinc/84/04/45/516840445.db2.gz YSTFWNQSFRDMIX-CQSZACIVSA-N 1 0 366.219 2.690 20 5 FFBDRO O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000514198578 516899634 /nfs/dbraw/zinc/89/96/34/516899634.db2.gz DQDSOODIBLEKAV-GFCCVEGCSA-N 1 0 369.368 2.754 20 5 FFBDRO O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000548374401 516944259 /nfs/dbraw/zinc/94/42/59/516944259.db2.gz UKEFNVMJRYZVJE-INIZCTEOSA-N 1 0 361.445 2.992 20 5 FFBDRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532397333 516954013 /nfs/dbraw/zinc/95/40/13/516954013.db2.gz QRUJRGSTFUCTCA-UHFFFAOYSA-N 1 0 362.352 2.726 20 5 FFBDRO CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000558834903 516965217 /nfs/dbraw/zinc/96/52/17/516965217.db2.gz NCSWOXRUZZTXOF-MRXNPFEDSA-N 1 0 358.446 2.650 20 5 FFBDRO Cn1ncc([N+](=O)[O-])c1-c1nc(-c2ccccc2C[NH+]2CCCC2)no1 ZINC000544906460 516984399 /nfs/dbraw/zinc/98/43/99/516984399.db2.gz PPNBTZHBTMGINA-UHFFFAOYSA-N 1 0 354.370 2.641 20 5 FFBDRO C[C@@H]1CC[N@H+](CCNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000525291268 516996752 /nfs/dbraw/zinc/99/67/52/516996752.db2.gz BOQVESYHISDJST-MRXNPFEDSA-N 1 0 363.461 2.613 20 5 FFBDRO CC(C)c1ccc([C@H]([NH3+])CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 ZINC000514727024 517026610 /nfs/dbraw/zinc/02/66/10/517026610.db2.gz MVZLPXYKFPYMLH-OAHLLOKOSA-N 1 0 371.393 2.877 20 5 FFBDRO Cc1ccc([C@H](CC(=O)OC(C)C)[NH2+]CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000537166680 517065096 /nfs/dbraw/zinc/06/50/96/517065096.db2.gz XBCIEUDMUYEDEW-KRWDZBQOSA-N 1 0 360.414 2.772 20 5 FFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](c1nccn1C)C1CC1 ZINC000552087996 517072443 /nfs/dbraw/zinc/07/24/43/517072443.db2.gz YHJYNIHTMHVEFF-SJKOYZFVSA-N 1 0 357.414 2.786 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2cc([N+](=O)[O-])ccc2OC)C[C@@H]1C ZINC000541525056 517094252 /nfs/dbraw/zinc/09/42/52/517094252.db2.gz WEWAJIPSKXKSAW-ZFWWWQNUSA-N 1 0 364.446 2.618 20 5 FFBDRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)c3ccc([N+](=O)[O-])cn3)C2)s1 ZINC000552134516 517101319 /nfs/dbraw/zinc/10/13/19/517101319.db2.gz OCWBKDDUNIDBQQ-AWEZNQCLSA-N 1 0 374.466 2.954 20 5 FFBDRO CCOc1cc(NC(=O)N[C@H](C)CC[NH+](C)C)c([N+](=O)[O-])cc1OCC ZINC000525738900 517141971 /nfs/dbraw/zinc/14/19/71/517141971.db2.gz OZTRXOHVSNBWIP-GFCCVEGCSA-N 1 0 368.434 2.854 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N(CC[NH+](C)C)C2CCCC2)c1 ZINC000541818455 517229931 /nfs/dbraw/zinc/22/99/31/517229931.db2.gz AFXLQMUKXUMMMU-UHFFFAOYSA-N 1 0 369.487 2.707 20 5 FFBDRO Cc1ccc([C@H](CNC(=O)COc2ccc([N+](=O)[O-])cc2)[NH+](C)C)cc1 ZINC000520062103 517266586 /nfs/dbraw/zinc/26/65/86/517266586.db2.gz YDTWNZJPDSVSPW-SFHVURJKSA-N 1 0 357.410 2.701 20 5 FFBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000515240591 517267997 /nfs/dbraw/zinc/26/79/97/517267997.db2.gz PXDIMIBTCPNJKR-CRAIPNDOSA-N 1 0 360.458 2.872 20 5 FFBDRO COc1ccccc1[C@H](CO)[NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000541981005 517319560 /nfs/dbraw/zinc/31/95/60/517319560.db2.gz JWGBIVSGNDFZGI-INIZCTEOSA-N 1 0 373.409 2.564 20 5 FFBDRO COc1ccc(Cl)cc1C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000548950714 517323075 /nfs/dbraw/zinc/32/30/75/517323075.db2.gz UNFXFFJPFCTSNE-OAHLLOKOSA-N 1 0 366.801 2.786 20 5 FFBDRO COc1ccc([C@H](C[NH+](C)C)NC(=O)c2cccc([N+](=O)[O-])c2OC)cc1 ZINC000552818142 517403071 /nfs/dbraw/zinc/40/30/71/517403071.db2.gz BZOLMPCYYNZRGO-INIZCTEOSA-N 1 0 373.409 2.645 20 5 FFBDRO O=C(NCCC[NH+]1CCCCCC1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000515717959 517455811 /nfs/dbraw/zinc/45/58/11/517455811.db2.gz HOJMGLUSMCZLTI-UHFFFAOYSA-N 1 0 371.441 2.776 20 5 FFBDRO CCc1cnccc1[C@H](C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000542253212 517463348 /nfs/dbraw/zinc/46/33/48/517463348.db2.gz IUMVJLHBHDNQQL-ZDUSSCGKSA-N 1 0 363.439 2.677 20 5 FFBDRO C[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1c(F)cccc1F ZINC000538127567 517474930 /nfs/dbraw/zinc/47/49/30/517474930.db2.gz NWFUBVJVUANKPX-AAEUAGOBSA-N 1 0 352.337 2.964 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CCc1ccc(Cl)cc1 ZINC000556609456 517517928 /nfs/dbraw/zinc/51/79/28/517517928.db2.gz OGWFEACLAXPBTK-OAHLLOKOSA-N 1 0 350.802 2.820 20 5 FFBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000520898538 517545961 /nfs/dbraw/zinc/54/59/61/517545961.db2.gz CAHKXFJFQOFKJT-ZIAGYGMSSA-N 1 0 369.487 2.698 20 5 FFBDRO Cc1cc(N(C)CCCN2CC[NH+](C)CC2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000549491830 517588843 /nfs/dbraw/zinc/58/88/43/517588843.db2.gz HAINOVXVTVAUTI-UHFFFAOYSA-N 1 0 374.407 2.996 20 5 FFBDRO CN(C)c1nccc(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])n1 ZINC000538409840 517609808 /nfs/dbraw/zinc/60/98/08/517609808.db2.gz YWTVFSXTNICNCT-PBHICJAKSA-N 1 0 355.442 2.952 20 5 FFBDRO C[C@H](O)C[N@@H+]1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H](C)C1 ZINC000560275424 517672522 /nfs/dbraw/zinc/67/25/22/517672522.db2.gz VBBOPQKRCZQAKQ-GJZGRUSLSA-N 1 0 359.426 2.742 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H](Cc1ccccc1Cl)C(N)=O ZINC000542693689 517690536 /nfs/dbraw/zinc/69/05/36/517690536.db2.gz RJPQOOPXWBPRJP-HNNXBMFYSA-N 1 0 361.829 2.990 20 5 FFBDRO O=C(CC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)NC1CCCCC1 ZINC000521347202 517698986 /nfs/dbraw/zinc/69/89/86/517698986.db2.gz MRUODFUUYUTUCA-JKSUJKDBSA-N 1 0 363.462 2.704 20 5 FFBDRO CS[C@@H]1CN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C[C@H]1[NH+](C)C ZINC000546549692 517721228 /nfs/dbraw/zinc/72/12/28/517721228.db2.gz MMHRVFLSTVJZLW-HUUCEWRRSA-N 1 0 369.462 2.516 20 5 FFBDRO CNC(=O)COc1cccc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000556898795 517735143 /nfs/dbraw/zinc/73/51/43/517735143.db2.gz QTTAMPAQZHRPGR-AWEZNQCLSA-N 1 0 357.410 2.879 20 5 FFBDRO CCCN(CC[NH+]1CCCCC1)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000553484681 517739874 /nfs/dbraw/zinc/73/98/74/517739874.db2.gz VEYOGLHOOOXTMY-UHFFFAOYSA-N 1 0 359.430 2.809 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H](N1CCOCC1)C(F)(F)F)CCC2 ZINC000556920117 517749573 /nfs/dbraw/zinc/74/95/73/517749573.db2.gz DWULLCMTIVWNQI-CVEARBPZSA-N 1 0 373.375 2.825 20 5 FFBDRO C[NH+](C)CCO[C@@H]1CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C1 ZINC000534141664 517758377 /nfs/dbraw/zinc/75/83/77/517758377.db2.gz LFFAROPWHLUXFK-MRXNPFEDSA-N 1 0 356.426 2.814 20 5 FFBDRO C[NH+](C)CCO[C@H]1CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C1 ZINC000534141663 517758808 /nfs/dbraw/zinc/75/88/08/517758808.db2.gz LFFAROPWHLUXFK-INIZCTEOSA-N 1 0 356.426 2.814 20 5 FFBDRO CCCCO[C@H]1C[C@@H]([N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)C1(C)C ZINC000534178482 517773608 /nfs/dbraw/zinc/77/36/08/517773608.db2.gz VBGXZRHKKNXPOD-CVEARBPZSA-N 1 0 351.447 2.672 20 5 FFBDRO O=C(NCC(F)(F)F)C1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000534342244 517860088 /nfs/dbraw/zinc/86/00/88/517860088.db2.gz YCZLGONQFATWBW-HYXAFXHYSA-N 1 0 371.359 2.999 20 5 FFBDRO C[C@@H]1COCC[N@@H+]1C1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000522010337 517948601 /nfs/dbraw/zinc/94/86/01/517948601.db2.gz AGEFAQOIWYMNLW-CYBMUJFWSA-N 1 0 353.850 2.933 20 5 FFBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)C[NH+](C)C ZINC000557466323 518019755 /nfs/dbraw/zinc/01/97/55/518019755.db2.gz QWCWXUBITZAMCM-SECBINFHSA-N 1 0 358.236 2.593 20 5 FFBDRO C[C@@H]1C[C@@H](CC[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000517129748 518035991 /nfs/dbraw/zinc/03/59/91/518035991.db2.gz PDFLXQPMLPGMAD-FZKCQIBNSA-N 1 0 352.431 2.518 20 5 FFBDRO CCc1ccc([C@@H](NCC2(O)CC[NH+](C)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543403483 518073557 /nfs/dbraw/zinc/07/35/57/518073557.db2.gz UJDKPSPEZRTHTD-IBGZPJMESA-N 1 0 373.453 2.886 20 5 FFBDRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000534964997 518101384 /nfs/dbraw/zinc/10/13/84/518101384.db2.gz IBIBIDBSTAXRDQ-OAHLLOKOSA-N 1 0 366.421 2.979 20 5 FFBDRO C[C@@H](C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000569778253 518283353 /nfs/dbraw/zinc/28/33/53/518283353.db2.gz DFGBIJKRRKBRHC-QAPCUYQASA-N 1 0 355.438 2.987 20 5 FFBDRO CCOC(=O)c1ccnc(N(CC)CC[NH+]2CCCCCC2)c1[N+](=O)[O-] ZINC000584342415 518291470 /nfs/dbraw/zinc/29/14/70/518291470.db2.gz LCXMXLXVDPAHTK-UHFFFAOYSA-N 1 0 364.446 2.869 20 5 FFBDRO CN(C)C1(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCCCCC1 ZINC000564118405 518314322 /nfs/dbraw/zinc/31/43/22/518314322.db2.gz GYDJXHHHPSIACZ-MRXNPFEDSA-N 1 0 365.474 2.579 20 5 FFBDRO CNc1nc(C(=O)N(CC[NH+]2CCCC2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000567079242 518340890 /nfs/dbraw/zinc/34/08/90/518340890.db2.gz XSXQGGZNJZHLML-UHFFFAOYSA-N 1 0 369.425 2.774 20 5 FFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H](N2CCOCC2)C1 ZINC000567120312 518361669 /nfs/dbraw/zinc/36/16/69/518361669.db2.gz BJMGPUQZLKMVBQ-GOSISDBHSA-N 1 0 363.458 2.679 20 5 FFBDRO O=C(CN1CCCC[C@H]1[C@@H]1CCC[NH2+]1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000581716663 518421661 /nfs/dbraw/zinc/42/16/61/518421661.db2.gz MQEHIZISTJXEDC-ZFWWWQNUSA-N 1 0 366.849 2.793 20 5 FFBDRO CCOc1cc(NC(=O)N[C@@H](C)C[C@H](C)[NH3+])c([N+](=O)[O-])cc1OCC ZINC000567269643 518440069 /nfs/dbraw/zinc/44/00/69/518440069.db2.gz QASOZKQZOHJQBS-QWRGUYRKSA-N 1 0 354.407 2.640 20 5 FFBDRO CCC[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000584869446 518516108 /nfs/dbraw/zinc/51/61/08/518516108.db2.gz HVSACGIIUOEUJR-DJIMGWMZSA-N 1 0 361.442 2.719 20 5 FFBDRO Cc1cc(C)c(S(=O)(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000570266665 518523112 /nfs/dbraw/zinc/52/31/12/518523112.db2.gz CERZYBRXPFUNEA-HUUCEWRRSA-N 1 0 367.471 2.507 20 5 FFBDRO COc1ccccc1-n1nccc1C[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000579307664 518615970 /nfs/dbraw/zinc/61/59/70/518615970.db2.gz XIKLLIMZAKUSGV-UHFFFAOYSA-N 1 0 368.393 2.958 20 5 FFBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000582202869 518634922 /nfs/dbraw/zinc/63/49/22/518634922.db2.gz FWKZBPLNYPXLHM-MRXNPFEDSA-N 1 0 373.457 2.792 20 5 FFBDRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000567672733 518645560 /nfs/dbraw/zinc/64/55/60/518645560.db2.gz HJQPHMZUWCBMIG-UEKVPHQBSA-N 1 0 360.439 2.835 20 5 FFBDRO Cc1ccc2c(c1C)OC[C@@H]2[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000567679020 518649795 /nfs/dbraw/zinc/64/97/95/518649795.db2.gz IEWOYNYRXFCXGO-ZBFHGGJFSA-N 1 0 358.394 2.675 20 5 FFBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000573534846 518710493 /nfs/dbraw/zinc/71/04/93/518710493.db2.gz SLYRZPZEUNZQCF-CQSZACIVSA-N 1 0 373.457 2.602 20 5 FFBDRO O=c1cc(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)nc2ccccn12 ZINC000573570906 518733347 /nfs/dbraw/zinc/73/33/47/518733347.db2.gz OBBSKUYBDIINCZ-KRWDZBQOSA-N 1 0 350.378 2.770 20 5 FFBDRO CC(C)Oc1nc(NC[C@H](c2cccs2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000579613965 518767273 /nfs/dbraw/zinc/76/72/73/518767273.db2.gz KQJVOIHMLVOAPU-CYBMUJFWSA-N 1 0 350.444 2.975 20 5 FFBDRO [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000567926113 518786880 /nfs/dbraw/zinc/78/68/80/518786880.db2.gz CTFLIGJZGBCVKH-QGZVFWFLSA-N 1 0 359.813 2.875 20 5 FFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@H](O)COc1ccc(F)c(F)c1 ZINC000565219528 518848186 /nfs/dbraw/zinc/84/81/86/518848186.db2.gz YEEDBQMZKFESBH-DIFFPNOSSA-N 1 0 364.348 2.890 20 5 FFBDRO CN(C(=O)c1c(N)cccc1[N+](=O)[O-])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000571050105 518904665 /nfs/dbraw/zinc/90/46/65/518904665.db2.gz MZBVJIOPADZGGS-HNNXBMFYSA-N 1 0 354.410 2.524 20 5 FFBDRO CCCN(CC[NH+]1CCCCCC1)C(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000589097452 518914084 /nfs/dbraw/zinc/91/40/84/518914084.db2.gz FPOKESKBAAGUDF-UHFFFAOYSA-N 1 0 351.451 2.539 20 5 FFBDRO CCCOc1ncccc1C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000565358175 518915942 /nfs/dbraw/zinc/91/59/42/518915942.db2.gz KTOPPVJBAYSSBO-UHFFFAOYSA-N 1 0 358.398 2.897 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000565389709 518928926 /nfs/dbraw/zinc/92/89/26/518928926.db2.gz ALIWVOPKTJMAON-FXAWDEMLSA-N 1 0 368.437 2.877 20 5 FFBDRO O=C(CC[NH2+][C@@H](CO)c1ccc(Cl)cc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000580008482 518959471 /nfs/dbraw/zinc/95/94/71/518959471.db2.gz MTAYVBXDUXERJY-INIZCTEOSA-N 1 0 363.801 2.900 20 5 FFBDRO CCc1cc(NC[C@H]2CC[N@@H+](C3CC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000565559194 519017803 /nfs/dbraw/zinc/01/78/03/519017803.db2.gz SIQYREIKYIIJPJ-CQSZACIVSA-N 1 0 367.453 2.932 20 5 FFBDRO C[NH+](C)CCOc1cnccc1CNc1nc2ccccc2cc1[N+](=O)[O-] ZINC000577317868 519019673 /nfs/dbraw/zinc/01/96/73/519019673.db2.gz MCYXZHMGFYYYQQ-UHFFFAOYSA-N 1 0 367.409 2.512 20 5 FFBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000589607176 519040453 /nfs/dbraw/zinc/04/04/53/519040453.db2.gz VLRVZPPGPLYTHU-CYBMUJFWSA-N 1 0 352.435 2.523 20 5 FFBDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3c(F)cc([N+](=O)[O-])cc3F)[C@H]2C1 ZINC000574236206 519054233 /nfs/dbraw/zinc/05/42/33/519054233.db2.gz SASQZYLRCNELRZ-YLVFBTJISA-N 1 0 353.369 2.610 20 5 FFBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000589643163 519054415 /nfs/dbraw/zinc/05/44/15/519054415.db2.gz GVAFZBRVDJFXIV-HNNXBMFYSA-N 1 0 373.457 2.792 20 5 FFBDRO C[C@H](c1ccccc1)[C@@H]([NH2+]CCCOc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000590000485 519125389 /nfs/dbraw/zinc/12/53/89/519125389.db2.gz GLRAVSGOJCOAEO-RDTXWAMCSA-N 1 0 357.410 2.611 20 5 FFBDRO C[NH2+][C@@H]1CCN([C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C1 ZINC000568631007 519138780 /nfs/dbraw/zinc/13/87/80/519138780.db2.gz YIOKFTCPWHUWNJ-VQIMIIECSA-N 1 0 368.437 2.877 20 5 FFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1CCCCN1C1CC1 ZINC000580399541 519155120 /nfs/dbraw/zinc/15/51/20/519155120.db2.gz INQRCXYUQMKSRB-RDTXWAMCSA-N 1 0 360.458 2.918 20 5 FFBDRO NC(=O)c1cccc(NC2CC[NH+](CCc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000580415632 519164786 /nfs/dbraw/zinc/16/47/86/519164786.db2.gz BPWATRADMQTVMI-UHFFFAOYSA-N 1 0 368.437 2.813 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CCc2cccc3cccnc32)c1 ZINC000571634280 519193921 /nfs/dbraw/zinc/19/39/21/519193921.db2.gz MGBOKJFEKLRZJZ-GOSISDBHSA-N 1 0 367.405 2.715 20 5 FFBDRO CC(C)(C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)Cc1cccc(Cl)c1 ZINC000568857424 519253001 /nfs/dbraw/zinc/25/30/01/519253001.db2.gz CUOMVLRBVKWXQR-INIZCTEOSA-N 1 0 366.849 2.664 20 5 FFBDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000568879864 519265443 /nfs/dbraw/zinc/26/54/43/519265443.db2.gz SFLDXRODHOIKQY-DYZYQPBXSA-N 1 0 371.387 2.687 20 5 FFBDRO COC(=O)c1ccnc(NC[C@@H](c2cccc(F)c2)[NH+](C)C)c1[N+](=O)[O-] ZINC000590568576 519268577 /nfs/dbraw/zinc/26/85/77/519268577.db2.gz IFUPNEUKRFTGNQ-AWEZNQCLSA-N 1 0 362.361 2.630 20 5 FFBDRO COC(=O)c1c(Cl)c(N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)ccc1[N+](=O)[O-] ZINC000590581009 519273949 /nfs/dbraw/zinc/27/39/49/519273949.db2.gz GJPQAKNCGDGIEW-VXGBXAGGSA-N 1 0 367.833 2.955 20 5 FFBDRO C[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H](c1ccccc1)N(C)C ZINC000574686174 519281622 /nfs/dbraw/zinc/28/16/22/519281622.db2.gz KLRZEZRBFBWTDP-RIFZZMRRSA-N 1 0 373.453 2.616 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C[C@@H]1CSc2ccccc21 ZINC000566120217 519314235 /nfs/dbraw/zinc/31/42/35/519314235.db2.gz MXHOPSRWZMDNOV-KGLIPLIRSA-N 1 0 360.435 2.814 20 5 FFBDRO CC(C)(C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(Cl)c1F ZINC000566131876 519323181 /nfs/dbraw/zinc/32/31/81/519323181.db2.gz QIXGVFRJGKGTIF-LBPRGKRZSA-N 1 0 370.812 2.512 20 5 FFBDRO COc1cccc([N+](=O)[O-])c1N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000574842840 519360474 /nfs/dbraw/zinc/36/04/74/519360474.db2.gz ILLHRQSDPAUKOW-GASCZTMLSA-N 1 0 363.458 2.929 20 5 FFBDRO CC(C)Oc1ccc([C@H](CNc2ncc([N+](=O)[O-])s2)[NH+](C)C)cc1 ZINC000574884229 519384234 /nfs/dbraw/zinc/38/42/34/519384234.db2.gz HRJROJSVJLHDHZ-AWEZNQCLSA-N 1 0 350.444 2.975 20 5 FFBDRO Cc1ccc(NCCCNC(=O)[C@H]2C[NH2+]Cc3ccccc32)c([N+](=O)[O-])c1 ZINC000569118020 519389065 /nfs/dbraw/zinc/38/90/65/519389065.db2.gz NCDJDLOYTIFIBU-KRWDZBQOSA-N 1 0 368.437 2.708 20 5 FFBDRO CC(C)CN(C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)C1CC[NH+](C)CC1 ZINC000574950891 519418906 /nfs/dbraw/zinc/41/89/06/519418906.db2.gz USTUGVDYWKIDJJ-UHFFFAOYSA-N 1 0 363.414 2.516 20 5 FFBDRO C[NH+](C)[C@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)C1 ZINC000583822982 519452401 /nfs/dbraw/zinc/45/24/01/519452401.db2.gz FNLWYZQIBXFLMU-KBPBESRZSA-N 1 0 366.437 2.855 20 5 FFBDRO NC(=O)[C@@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@H]1c1ccccc1 ZINC000591048626 519490608 /nfs/dbraw/zinc/49/06/08/519490608.db2.gz CCYBUQMVCGEWIO-RBUKOAKNSA-N 1 0 369.421 2.565 20 5 FFBDRO COc1cc(C(=O)Nc2cccc3c2CC[NH2+]C3)c([N+](=O)[O-])cc1OC ZINC000581052021 519495827 /nfs/dbraw/zinc/49/58/27/519495827.db2.gz NOIIGOCYFVDGES-UHFFFAOYSA-N 1 0 357.366 2.510 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000591270345 519567170 /nfs/dbraw/zinc/56/71/70/519567170.db2.gz XNUXIZPRWMKEEV-KGLIPLIRSA-N 1 0 362.430 2.847 20 5 FFBDRO CCOc1cc(NC(=O)N[C@@H]2CCC[NH2+]CC2)c([N+](=O)[O-])cc1OCC ZINC000591274081 519568720 /nfs/dbraw/zinc/56/87/20/519568720.db2.gz GMPFHUZZCXWTSB-GFCCVEGCSA-N 1 0 366.418 2.656 20 5 FFBDRO CC(C)[C@@H]1CCc2ccccc2[C@@H]1[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000578436920 519592273 /nfs/dbraw/zinc/59/22/73/519592273.db2.gz NSPKCCBEATWXSH-JENIJYKNSA-N 1 0 358.442 2.702 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]3CC[NH2+][C@H]3C2)nc1OCc1ccccc1 ZINC000591436881 519624983 /nfs/dbraw/zinc/62/49/83/519624983.db2.gz CGIOJVLACLVBFE-HOTGVXAUSA-N 1 0 354.410 2.757 20 5 FFBDRO CC[N@H+]1[C@H](C)CN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000602874563 519942640 /nfs/dbraw/zinc/94/26/40/519942640.db2.gz QCQUJTLYVHSJSX-FRRDWIJNSA-N 1 0 368.865 2.990 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCN(C)[C@@H](C(C)(C)C)C1 ZINC000602874494 519942845 /nfs/dbraw/zinc/94/28/45/519942845.db2.gz RSYXIKUGLWJYSM-QGZVFWFLSA-N 1 0 362.474 2.894 20 5 FFBDRO Cc1c(CNC(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000599918748 519949849 /nfs/dbraw/zinc/94/98/49/519949849.db2.gz QDYNEYKGNNXHMA-CHWSQXEVSA-N 1 0 374.363 2.572 20 5 FFBDRO C[C@H]1CC[C@@H](NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C[NH2+]1 ZINC000599917201 519949929 /nfs/dbraw/zinc/94/99/29/519949929.db2.gz HCNJNWCFQMAFQX-JOYOIKCWSA-N 1 0 360.336 2.553 20 5 FFBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594418461 519953640 /nfs/dbraw/zinc/95/36/40/519953640.db2.gz JFHOKYFIEFUCNC-QZTJIDSGSA-N 1 0 360.458 2.920 20 5 FFBDRO O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594419219 519953996 /nfs/dbraw/zinc/95/39/96/519953996.db2.gz PIKLCMFPNBITGP-SJORKVTESA-N 1 0 359.426 2.691 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000594420540 519955628 /nfs/dbraw/zinc/95/56/28/519955628.db2.gz WGCQUQRGERUJIA-JKSUJKDBSA-N 1 0 361.442 2.805 20 5 FFBDRO O=[N+]([O-])c1cccc(OCC[NH2+][C@H](c2ccncc2)C2(CO)CCC2)c1 ZINC000602902351 519960820 /nfs/dbraw/zinc/96/08/20/519960820.db2.gz LGNYWDGRGKZHNU-GOSISDBHSA-N 1 0 357.410 2.862 20 5 FFBDRO COc1cc(C[NH2+][C@H](c2ccncc2)C2(CO)CCC2)ccc1[N+](=O)[O-] ZINC000602901342 519960907 /nfs/dbraw/zinc/96/09/07/519960907.db2.gz HJZJWCBZGAQUFG-GOSISDBHSA-N 1 0 357.410 2.992 20 5 FFBDRO CC1([NH+]2CCCC2)CCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000602950118 519989073 /nfs/dbraw/zinc/98/90/73/519989073.db2.gz JAFCSAUAPSIWEU-SFHVURJKSA-N 1 0 372.469 2.650 20 5 FFBDRO Cc1ccc(C)c(S(=O)(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000594484096 519993048 /nfs/dbraw/zinc/99/30/48/519993048.db2.gz SAJZTWDXWISUML-GJZGRUSLSA-N 1 0 367.471 2.507 20 5 FFBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000599999204 519993499 /nfs/dbraw/zinc/99/34/99/519993499.db2.gz MODAPRLJJDCVEO-LLVKDONJSA-N 1 0 370.247 2.912 20 5 FFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000591681343 519996728 /nfs/dbraw/zinc/99/67/28/519996728.db2.gz IZFLAWGZICOTOH-UHFFFAOYSA-N 1 0 358.423 3.000 20 5 FFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(CCO)(CCO)CC1 ZINC000602966421 519996845 /nfs/dbraw/zinc/99/68/45/519996845.db2.gz DUJZVQGGQXFAJE-UHFFFAOYSA-N 1 0 366.458 2.729 20 5 FFBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000591684161 519996923 /nfs/dbraw/zinc/99/69/23/519996923.db2.gz WJZGUJUVCFQUAL-QGZVFWFLSA-N 1 0 357.435 2.690 20 5 FFBDRO O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N(C1CC1)C1CC[NH2+]CC1 ZINC000591680739 519997348 /nfs/dbraw/zinc/99/73/48/519997348.db2.gz CXIDNMIUZOZIKH-UHFFFAOYSA-N 1 0 357.332 2.970 20 5 FFBDRO CC(C)(C)[C@@H]1OCCC[C@H]1C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000591740805 520017206 /nfs/dbraw/zinc/01/72/06/520017206.db2.gz JTBUPTCOUXNQHI-RLFYNMQTSA-N 1 0 366.458 2.765 20 5 FFBDRO C[C@H](C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1cccs1 ZINC000591744282 520018709 /nfs/dbraw/zinc/01/87/09/520018709.db2.gz OAYVJUYKRXCRLI-ZDUSSCGKSA-N 1 0 368.480 2.898 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@H]2CCc3ccccc3C2)cc1 ZINC000591741808 520019454 /nfs/dbraw/zinc/01/94/54/520019454.db2.gz SDUORTTZIVKTQN-HNNXBMFYSA-N 1 0 374.462 2.763 20 5 FFBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H]2CCCN3CCCC[C@@H]23)cccc1[N+](=O)[O-] ZINC000594551506 520023249 /nfs/dbraw/zinc/02/32/49/520023249.db2.gz FLTBQCAUUYHFLJ-LESCRADOSA-N 1 0 360.458 2.837 20 5 FFBDRO C[NH+](C)[C@H]1CCc2cc(NC[C@@H](O)COc3ccccc3[N+](=O)[O-])ccc21 ZINC000591777677 520035547 /nfs/dbraw/zinc/03/55/47/520035547.db2.gz AIZUELRBTABORO-AEFFLSMTSA-N 1 0 371.437 2.996 20 5 FFBDRO COC(=O)[C@@]1(OC)CC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000600194019 520115661 /nfs/dbraw/zinc/11/56/61/520115661.db2.gz ZWCHVHWDFNPVEP-GOSISDBHSA-N 1 0 360.366 2.619 20 5 FFBDRO COc1cc(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)c([N+](=O)[O-])cc1F ZINC000600230355 520139431 /nfs/dbraw/zinc/13/94/31/520139431.db2.gz RQDZRKFJTWBGDY-ZDUSSCGKSA-N 1 0 365.405 2.879 20 5 FFBDRO O=[N+]([O-])c1ccc(NC2CC[NH+]([C@H]3CCOC3)CC2)c(OC(F)F)c1 ZINC000612789650 520148030 /nfs/dbraw/zinc/14/80/30/520148030.db2.gz VEZAFUHKHBLNEQ-ZDUSSCGKSA-N 1 0 357.357 2.861 20 5 FFBDRO CC(C)[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cn2C)CC[N@@H+]1Cc1ccccc1 ZINC000600251898 520157998 /nfs/dbraw/zinc/15/79/98/520157998.db2.gz DOTBIFLUSWHHGR-IBGZPJMESA-N 1 0 370.453 2.916 20 5 FFBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000597700333 520185582 /nfs/dbraw/zinc/18/55/82/520185582.db2.gz MOWYXWNJSMWXQB-CZUORRHYSA-N 1 0 354.410 2.821 20 5 FFBDRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000597701615 520185716 /nfs/dbraw/zinc/18/57/16/520185716.db2.gz VGSLCVZNCYQVHB-DOTOQJQBSA-N 1 0 374.485 2.996 20 5 FFBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000597701660 520187128 /nfs/dbraw/zinc/18/71/28/520187128.db2.gz VSLHULJADCWVHO-ZANVPECISA-N 1 0 356.220 2.522 20 5 FFBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000594853963 520191101 /nfs/dbraw/zinc/19/11/01/520191101.db2.gz BQEZYWSLQKOGPS-AWEZNQCLSA-N 1 0 367.471 2.589 20 5 FFBDRO C[S@](=O)[C@@H]1CCC[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000594962580 520230616 /nfs/dbraw/zinc/23/06/16/520230616.db2.gz RTXKKJPOROWSJV-UDWROGOWSA-N 1 0 362.398 2.976 20 5 FFBDRO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CS1(=O)=O ZINC000594973777 520235384 /nfs/dbraw/zinc/23/53/84/520235384.db2.gz FDPIRARDCOBRIZ-OCCSQVGLSA-N 1 0 364.423 2.910 20 5 FFBDRO C[C@@H]1COCC[N@@H+]1C1CCN(c2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000603400538 520246991 /nfs/dbraw/zinc/24/69/91/520246991.db2.gz HWLONMRBLITKDZ-CQSZACIVSA-N 1 0 356.426 2.833 20 5 FFBDRO COc1ccc(OCC[NH2+][C@@H](C(C)C)C2(CO)CC=CC2)c([N+](=O)[O-])c1 ZINC000592177275 520247755 /nfs/dbraw/zinc/24/77/55/520247755.db2.gz QAOVVVBKFBLFMT-SFHVURJKSA-N 1 0 364.442 2.925 20 5 FFBDRO CN(CCC[N@H+](C)Cc1ccncc1)c1ncnc2cccc([N+](=O)[O-])c21 ZINC000603401545 520249823 /nfs/dbraw/zinc/24/98/23/520249823.db2.gz PRDPEYQQNRLABJ-UHFFFAOYSA-N 1 0 366.425 2.891 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CCOC2(CCOCC2)C1 ZINC000595021893 520260294 /nfs/dbraw/zinc/26/02/94/520260294.db2.gz GMXNXOMBGQLZPK-KBPBESRZSA-N 1 0 350.415 2.982 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H]1CCC2(CCOCC2)[C@@H]1O ZINC000595038295 520265338 /nfs/dbraw/zinc/26/53/38/520265338.db2.gz IUQMBTNGEUWONI-PMUMKWKESA-N 1 0 364.442 2.822 20 5 FFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCC1(CS(C)(=O)=O)CC1 ZINC000595061126 520274397 /nfs/dbraw/zinc/27/43/97/520274397.db2.gz PIPODDZNMBHXDC-CQSZACIVSA-N 1 0 354.472 2.720 20 5 FFBDRO O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000600472747 520279588 /nfs/dbraw/zinc/27/95/88/520279588.db2.gz PMXQUFWGEPMFHH-HNNXBMFYSA-N 1 0 369.425 2.527 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000597859761 520286732 /nfs/dbraw/zinc/28/67/32/520286732.db2.gz HGCDQRZCIGYINO-AWEZNQCLSA-N 1 0 371.441 2.631 20 5 FFBDRO CCOc1ccc([C@H](C)[NH2+]C2CCN([C@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000595106582 520297035 /nfs/dbraw/zinc/29/70/35/520297035.db2.gz VKZIXAQCNATUIO-YOEHRIQHSA-N 1 0 363.458 2.897 20 5 FFBDRO Cc1cc([N+](=O)[O-])cnc1N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000609384014 520300792 /nfs/dbraw/zinc/30/07/92/520300792.db2.gz XTXOGRCJFRRBMK-UHFFFAOYSA-N 1 0 369.469 2.552 20 5 FFBDRO CN(C)C(=O)CC[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000609449096 520315821 /nfs/dbraw/zinc/31/58/21/520315821.db2.gz XDRFEOXVAKQPKT-UHFFFAOYSA-N 1 0 354.838 2.603 20 5 FFBDRO CCOc1cc(C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000597922968 520324443 /nfs/dbraw/zinc/32/44/43/520324443.db2.gz HQWAZXQGLGSCCD-GFCCVEGCSA-N 1 0 365.430 2.605 20 5 FFBDRO CCOc1ccc(C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000595219866 520355253 /nfs/dbraw/zinc/35/52/53/520355253.db2.gz AKVGWEITZYSNAG-MRXNPFEDSA-N 1 0 361.442 2.845 20 5 FFBDRO COc1ccc(C(=O)N2CC[C@H](c3ccccc3)[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000595223115 520357573 /nfs/dbraw/zinc/35/75/73/520357573.db2.gz YMCCWVKNWRVCAT-HZPDHXFCSA-N 1 0 355.394 2.560 20 5 FFBDRO [NH3+]C[C@H]1CCCc2ccc(C(=O)NCCNc3ccccc3[N+](=O)[O-])cc21 ZINC000595250357 520371543 /nfs/dbraw/zinc/37/15/43/520371543.db2.gz PTQUOPUGXLHRHW-MRXNPFEDSA-N 1 0 368.437 2.815 20 5 FFBDRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC000595256703 520374598 /nfs/dbraw/zinc/37/45/98/520374598.db2.gz QVUIFBASMHFNCP-ROUUACIJSA-N 1 0 369.421 2.787 20 5 FFBDRO CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000595269731 520379889 /nfs/dbraw/zinc/37/98/89/520379889.db2.gz RGWAOFTZIQWVIB-OALUTQOASA-N 1 0 369.421 2.869 20 5 FFBDRO Cc1c(CNC(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)cccc1[N+](=O)[O-] ZINC000595274135 520382137 /nfs/dbraw/zinc/38/21/37/520382137.db2.gz PAQFHBSSZPQLGL-KRWDZBQOSA-N 1 0 360.458 2.824 20 5 FFBDRO CCN(C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)[C@H]1CC[N@H+](CC)C1 ZINC000598039034 520388879 /nfs/dbraw/zinc/38/88/79/520388879.db2.gz HOZKSWQBVJYHMD-LBPRGKRZSA-N 1 0 357.357 2.753 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC(C)(C)OCC1(C)C ZINC000609671685 520401296 /nfs/dbraw/zinc/40/12/96/520401296.db2.gz ISXQTEHYPSVMCP-UHFFFAOYSA-N 1 0 365.430 2.821 20 5 FFBDRO CNc1c(C(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000613234404 520402864 /nfs/dbraw/zinc/40/28/64/520402864.db2.gz HHTMCIOVMBAAKX-MRXNPFEDSA-N 1 0 368.437 2.983 20 5 FFBDRO O=C(Cc1ccccc1[N+](=O)[O-])NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000598061792 520405630 /nfs/dbraw/zinc/40/56/30/520405630.db2.gz HKUKCKJWYMUFNG-UHFFFAOYSA-N 1 0 368.437 2.561 20 5 FFBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H](c1ccccc1OC)[NH+](C)C ZINC000603928607 520406943 /nfs/dbraw/zinc/40/69/43/520406943.db2.gz GPKSDPJZKNPFBJ-KRWDZBQOSA-N 1 0 372.425 2.678 20 5 FFBDRO COc1ccc(CC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)cc1[N+](=O)[O-] ZINC000609698715 520409337 /nfs/dbraw/zinc/40/93/37/520409337.db2.gz UPYZEGHVZGINDD-INIZCTEOSA-N 1 0 351.447 2.629 20 5 FFBDRO O=C(CN1CCC([C@H]2CC[NH2+]C2)CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000592492057 520413886 /nfs/dbraw/zinc/41/38/86/520413886.db2.gz KAWLPQXRXVYHRS-ZDUSSCGKSA-N 1 0 366.849 2.508 20 5 FFBDRO O=C(NCCC[NH2+]C1CCCCC1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000609852408 520458759 /nfs/dbraw/zinc/45/87/59/520458759.db2.gz OWEQQOMTAXPVJD-UHFFFAOYSA-N 1 0 371.441 2.823 20 5 FFBDRO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000609874650 520464903 /nfs/dbraw/zinc/46/49/03/520464903.db2.gz CHKWPLMWXLARAQ-INIZCTEOSA-N 1 0 367.833 2.575 20 5 FFBDRO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000609874651 520465094 /nfs/dbraw/zinc/46/50/94/520465094.db2.gz CHKWPLMWXLARAQ-MRXNPFEDSA-N 1 0 367.833 2.575 20 5 FFBDRO CC1(C)C[C@H]([N@@H+]2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)CO1 ZINC000595433115 520467895 /nfs/dbraw/zinc/46/78/95/520467895.db2.gz NWSAUMRAVPVKEE-AWEZNQCLSA-N 1 0 359.430 2.551 20 5 FFBDRO COC(=O)c1cc(NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)cc([N+](=O)[O-])c1 ZINC000609884465 520468186 /nfs/dbraw/zinc/46/81/86/520468186.db2.gz BYSMGTZWTUJKNH-MRXNPFEDSA-N 1 0 363.414 2.830 20 5 FFBDRO COc1ccc(CNC(=O)N[C@H](C)C[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000595446731 520475572 /nfs/dbraw/zinc/47/55/72/520475572.db2.gz DFLYZFWAQDFXDT-CQSZACIVSA-N 1 0 364.446 2.523 20 5 FFBDRO CCOC(=O)c1ccnc(NC[C@H](c2ccsc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000609961336 520489518 /nfs/dbraw/zinc/48/95/18/520489518.db2.gz KZMSJAFPNOZUCP-CYBMUJFWSA-N 1 0 364.427 2.943 20 5 FFBDRO CCOC(=O)c1ccnc(NC[C@H](C)[N@@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000609963932 520491907 /nfs/dbraw/zinc/49/19/07/520491907.db2.gz JQVKYJWUSCZYCS-OLZOCXBDSA-N 1 0 350.419 2.841 20 5 FFBDRO C[N@@H+]1CC[C@@]2(C1)CCCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000595503715 520515168 /nfs/dbraw/zinc/51/51/68/520515168.db2.gz ARJDEGDUERIVNO-QGZVFWFLSA-N 1 0 366.849 2.604 20 5 FFBDRO CC(C)C[NH2+]C1(CO)CCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000595512471 520520599 /nfs/dbraw/zinc/52/05/99/520520599.db2.gz OHLWNMMEFBRQTM-UHFFFAOYSA-N 1 0 355.866 2.821 20 5 FFBDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000598262890 520527224 /nfs/dbraw/zinc/52/72/24/520527224.db2.gz NKZDNDOAGNDBFR-AWEZNQCLSA-N 1 0 358.442 2.855 20 5 FFBDRO C[NH+](C)CC1CCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000610104798 520539553 /nfs/dbraw/zinc/53/95/53/520539553.db2.gz UKMOQOTXYIPXKN-UHFFFAOYSA-N 1 0 362.474 2.901 20 5 FFBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000604446324 520564884 /nfs/dbraw/zinc/56/48/84/520564884.db2.gz XEGSQJYZHYUEFA-INMHGKMJSA-N 1 0 361.442 2.837 20 5 FFBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000604445591 520565347 /nfs/dbraw/zinc/56/53/47/520565347.db2.gz KOBKAFGMPVOGFV-UMVBOHGHSA-N 1 0 371.441 2.949 20 5 FFBDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000604474450 520571727 /nfs/dbraw/zinc/57/17/27/520571727.db2.gz UOJJGRIHUIJPDG-OAHLLOKOSA-N 1 0 371.441 2.775 20 5 FFBDRO C[C@H]1C[C@H](NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000610208562 520580304 /nfs/dbraw/zinc/58/03/04/520580304.db2.gz DQOOPSABZHCSHF-WCQYABFASA-N 1 0 355.822 2.616 20 5 FFBDRO COC[C@H]([NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])C1CCOCC1 ZINC000595617341 520597352 /nfs/dbraw/zinc/59/73/52/520597352.db2.gz RUXJRDJUWGXJGT-AWEZNQCLSA-N 1 0 373.247 2.889 20 5 FFBDRO CCOC(=O)c1cnc2c(cccc2[N+](=O)[O-])c1N1CC[C@H](C[NH+](C)C)C1 ZINC000601139497 520656522 /nfs/dbraw/zinc/65/65/22/520656522.db2.gz IWBUPFRBDRKBRN-CYBMUJFWSA-N 1 0 372.425 2.708 20 5 FFBDRO COCCOc1cccc(C[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)c1 ZINC000601149631 520661666 /nfs/dbraw/zinc/66/16/66/520661666.db2.gz PCUOSDMWQGNJCG-IBGZPJMESA-N 1 0 360.410 2.617 20 5 FFBDRO CN(c1ccccc1)c1ccc(C[NH2+][C@@H]2COCC[C@H]2O)cc1[N+](=O)[O-] ZINC000601159833 520665848 /nfs/dbraw/zinc/66/58/48/520665848.db2.gz OYRWMVCEQNIISP-VQIMIIECSA-N 1 0 357.410 2.602 20 5 FFBDRO COc1ccc(CC(=O)NC[C@@H]2CC[N@@H+]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000598508290 520667556 /nfs/dbraw/zinc/66/75/56/520667556.db2.gz FWOBNFQUMBHAQK-KRWDZBQOSA-N 1 0 369.421 2.537 20 5 FFBDRO O=C(CCc1cccc([N+](=O)[O-])c1)NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000598511958 520672156 /nfs/dbraw/zinc/67/21/56/520672156.db2.gz VMUQXLQXTJDHGC-LJQANCHMSA-N 1 0 353.422 2.918 20 5 FFBDRO CCC1([NH+](C)C)CCN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CC1 ZINC000601227494 520698785 /nfs/dbraw/zinc/69/87/85/520698785.db2.gz QEAVVJYCRFPMFB-UHFFFAOYSA-N 1 0 360.458 2.798 20 5 FFBDRO O=C(NC[C@H]1CCC[N@H+](CC2CC2)C1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000598557997 520703703 /nfs/dbraw/zinc/70/37/03/520703703.db2.gz BEJPQZMATHPFKE-AYOQOUSVSA-N 1 0 357.454 2.937 20 5 FFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@]2(CO)CCCN(Cc3ccccc3)C2)c(F)c1 ZINC000610481133 520708405 /nfs/dbraw/zinc/70/84/05/520708405.db2.gz JUWSGSCHFSIKGZ-FQEVSTJZSA-N 1 0 373.428 2.851 20 5 FFBDRO C[C@H]([NH2+][C@@H]1CCC[C@H]1Cc1cnn(C)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000595769561 520711302 /nfs/dbraw/zinc/71/13/02/520711302.db2.gz KBPLKMHLYVHERH-DHSIGJKJSA-N 1 0 371.441 2.656 20 5 FFBDRO Cc1c(Br)cc(C(=O)N2CC[NH2+][C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000598571120 520715151 /nfs/dbraw/zinc/71/51/51/520715151.db2.gz GMAPNAIJQPAMLF-ZDUSSCGKSA-N 1 0 370.247 2.736 20 5 FFBDRO O=[N+]([O-])c1ccc(OCCC[NH+]2CCN(Cc3cccc(O)c3)CC2)cc1 ZINC000610504424 520718460 /nfs/dbraw/zinc/71/84/60/520718460.db2.gz BWQWZTQVMVEQOY-UHFFFAOYSA-N 1 0 371.437 2.887 20 5 FFBDRO O=C1[C@H]([N@@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000595786256 520724419 /nfs/dbraw/zinc/72/44/19/520724419.db2.gz HDASYRNGCNDLSF-LZQZEXGQSA-N 1 0 373.453 2.981 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000595790882 520727419 /nfs/dbraw/zinc/72/74/19/520727419.db2.gz ZJUCSCFRNMUJNU-JFIYKMOQSA-N 1 0 364.442 2.616 20 5 FFBDRO Cc1ccc(S(=O)(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000598620534 520748185 /nfs/dbraw/zinc/74/81/85/520748185.db2.gz YHWWAHNJYJVWJO-AWEZNQCLSA-N 1 0 369.487 2.610 20 5 FFBDRO COc1cc(C[N@@H+]2CC[C@H](C)[C@H](CO)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000598645779 520758315 /nfs/dbraw/zinc/75/83/15/520758315.db2.gz IBTUWDKYMAGNCT-AAEUAGOBSA-N 1 0 374.384 2.698 20 5 FFBDRO O=C(Cc1ccc(F)cc1[N+](=O)[O-])NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000593144392 520777369 /nfs/dbraw/zinc/77/73/69/520777369.db2.gz BYYIWPXUMURWKI-MRXNPFEDSA-N 1 0 371.412 2.915 20 5 FFBDRO COc1ccc(OCC[NH2+][C@H](CO)c2ccc(F)cc2F)c([N+](=O)[O-])c1 ZINC000595867403 520779216 /nfs/dbraw/zinc/77/92/16/520779216.db2.gz MQHJPKRPWUXOMV-OAHLLOKOSA-N 1 0 368.336 2.584 20 5 FFBDRO CCOC(=O)CC1([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCOCC1 ZINC000595878131 520786700 /nfs/dbraw/zinc/78/67/00/520786700.db2.gz QXYCRFUHIXJKKE-UHFFFAOYSA-N 1 0 356.806 2.840 20 5 FFBDRO Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]2)c(C)c1[N+](=O)[O-] ZINC000598714178 520804539 /nfs/dbraw/zinc/80/45/39/520804539.db2.gz GDYSIPJMBZGFFC-HUUCEWRRSA-N 1 0 367.471 2.507 20 5 FFBDRO Cc1c(NC(=O)[C@@H](C)N2CCC([C@H]3CCC[NH2+]C3)CC2)cccc1[N+](=O)[O-] ZINC000595900940 520807991 /nfs/dbraw/zinc/80/79/91/520807991.db2.gz PKUQIIQWVLHSOX-WBVHZDCISA-N 1 0 374.485 2.942 20 5 FFBDRO Cc1c(NC(=O)[C@H](C)N2CCC([C@@H]3CCC[NH2+]C3)CC2)cccc1[N+](=O)[O-] ZINC000595900937 520808276 /nfs/dbraw/zinc/80/82/76/520808276.db2.gz PKUQIIQWVLHSOX-DOTOQJQBSA-N 1 0 374.485 2.942 20 5 FFBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000595901448 520808528 /nfs/dbraw/zinc/80/85/28/520808528.db2.gz WHJYQDZABYKXMV-GDBMZVCRSA-N 1 0 360.458 2.633 20 5 FFBDRO C[C@@H]1[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2Br)[C@@H](C)C[N@@H+]1C ZINC000593188461 520813209 /nfs/dbraw/zinc/81/32/09/520813209.db2.gz IAVSDAZCYPKBCI-AXFHLTTASA-N 1 0 370.247 2.910 20 5 FFBDRO COCC1([NH2+]CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CCCCC1 ZINC000595911848 520815591 /nfs/dbraw/zinc/81/55/91/520815591.db2.gz ZUEHESQRIULGAU-UHFFFAOYSA-N 1 0 363.414 2.832 20 5 FFBDRO CCC1([NH+](C)C)CCN(S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)CC1 ZINC000601503348 520816163 /nfs/dbraw/zinc/81/61/63/520816163.db2.gz GETAQNRZTJQLBD-UHFFFAOYSA-N 1 0 369.487 2.707 20 5 FFBDRO CCC1([NH+](C)C)CCN(S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])CC1 ZINC000601503374 520816664 /nfs/dbraw/zinc/81/66/64/520816664.db2.gz GXEXMRWFPIWEOL-UHFFFAOYSA-N 1 0 369.487 2.707 20 5 FFBDRO O=C(N1CC[C@@H](N2CCC2)[C@@H](F)C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601537539 520831412 /nfs/dbraw/zinc/83/14/12/520831412.db2.gz FOCMONVYCUGQFX-DLBZAZTESA-N 1 0 361.417 2.661 20 5 FFBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1cccc2c1CC[NH2+]C2 ZINC000595938112 520833468 /nfs/dbraw/zinc/83/34/68/520833468.db2.gz VXRWUOUFKPOUIY-UHFFFAOYSA-N 1 0 353.422 2.993 20 5 FFBDRO CCOc1ccc(C(=O)N2C[C@@H](C[NH3+])Cc3ccccc32)cc1[N+](=O)[O-] ZINC000601553574 520837956 /nfs/dbraw/zinc/83/79/56/520837956.db2.gz OQBDVRKLPAXRLK-CYBMUJFWSA-N 1 0 355.394 2.771 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]3C[NH2+]CC[C@H]32)cc1SC ZINC000601557270 520839389 /nfs/dbraw/zinc/83/93/89/520839389.db2.gz NIEXLFQVMUVALA-DGCLKSJQSA-N 1 0 365.455 2.539 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000610816239 520853142 /nfs/dbraw/zinc/85/31/42/520853142.db2.gz DWNGGWFKWYHZKW-HUUCEWRRSA-N 1 0 368.437 2.932 20 5 FFBDRO CC[C@H]1COC(C)(C)CN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000593258836 520863340 /nfs/dbraw/zinc/86/33/40/520863340.db2.gz SPILMEOQEUVAJP-AWEZNQCLSA-N 1 0 358.398 2.810 20 5 FFBDRO CC[C@@H]1CO[C@@H](CC)CN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000593258617 520863354 /nfs/dbraw/zinc/86/33/54/520863354.db2.gz QNODDNCUGJOJGD-CABCVRRESA-N 1 0 358.398 2.810 20 5 FFBDRO CC(C)[C@@H](CNc1cc(N)c([N+](=O)[O-])c(CO)c1)[NH+]1CCCCCC1 ZINC000596071108 520893670 /nfs/dbraw/zinc/89/36/70/520893670.db2.gz WCQJTBNPOGVMBE-QGZVFWFLSA-N 1 0 350.463 2.982 20 5 FFBDRO COc1cc(NCc2cccnc2N2CC[NH+](C)CC2)c([N+](=O)[O-])cc1C ZINC000596091801 520907451 /nfs/dbraw/zinc/90/74/51/520907451.db2.gz CSJPTEOPAMSDLG-UHFFFAOYSA-N 1 0 371.441 2.671 20 5 FFBDRO NC(=O)c1cc(NC[C@H]2CC[N@H+](CCc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000596109049 520917544 /nfs/dbraw/zinc/91/75/44/520917544.db2.gz ZUVDJZOMNTZFNA-MRXNPFEDSA-N 1 0 368.437 2.670 20 5 FFBDRO NC(=O)c1cc(NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000596109047 520918243 /nfs/dbraw/zinc/91/82/43/520918243.db2.gz ZUVDJZOMNTZFNA-INIZCTEOSA-N 1 0 368.437 2.670 20 5 FFBDRO Cn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCCCC[N@H+](Cc3ccccc3)C2)n1 ZINC000601726307 520921968 /nfs/dbraw/zinc/92/19/68/520921968.db2.gz HTRCKZYBDHPGQG-MRXNPFEDSA-N 1 0 371.441 2.503 20 5 FFBDRO COC1CC[NH+](C2(CNc3c(Cl)cncc3[N+](=O)[O-])CCCC2)CC1 ZINC000596121890 520925653 /nfs/dbraw/zinc/92/56/53/520925653.db2.gz MOYWEVRKKZEHJZ-UHFFFAOYSA-N 1 0 368.865 2.901 20 5 FFBDRO CN(CC(=O)N1CCC(C)([NH+]2CCCC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000601740490 520928481 /nfs/dbraw/zinc/92/84/81/520928481.db2.gz UFGSNQJCNFIOCK-UHFFFAOYSA-N 1 0 360.458 2.508 20 5 FFBDRO C[NH+](C)CC(C)(C)CNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000598978279 520955455 /nfs/dbraw/zinc/95/54/55/520955455.db2.gz MHFCBEYNZPSFPT-UHFFFAOYSA-N 1 0 358.236 2.675 20 5 FFBDRO C[NH+](C)[C@H](CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-])c1cccc(F)c1 ZINC000593392218 520960374 /nfs/dbraw/zinc/96/03/74/520960374.db2.gz QIYGGPMIDZTVKE-QGZVFWFLSA-N 1 0 363.364 2.835 20 5 FFBDRO COc1ccc(C[NH2+]CC2(OCCO)CCC(F)(F)CC2)cc1[N+](=O)[O-] ZINC000598992959 520965583 /nfs/dbraw/zinc/96/55/83/520965583.db2.gz FBFAXUHEJWQHNO-UHFFFAOYSA-N 1 0 374.384 2.650 20 5 FFBDRO CN(c1ccccc1)c1ccc(C[NH2+]CCN2CC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000599008822 520976434 /nfs/dbraw/zinc/97/64/34/520976434.db2.gz IMHZKYYQCQZPBV-GOSISDBHSA-N 1 0 370.453 2.519 20 5 FFBDRO C[C@@H]1CN(c2ccc(C(F)(F)F)c([N+](=O)[O-])c2)CC[N@@H+]1CC(C)(C)O ZINC000596223946 520978653 /nfs/dbraw/zinc/97/86/53/520978653.db2.gz VDGPPOSKYPUAFT-LLVKDONJSA-N 1 0 361.364 2.895 20 5 FFBDRO CC[C@@H]([NH2+]C[C@H]1CN(Cc2ccncc2)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000599088373 521023842 /nfs/dbraw/zinc/02/38/42/521023842.db2.gz QMJZTOHMDLAVSO-VQTJNVASSA-N 1 0 370.453 2.932 20 5 FFBDRO COCC[N@@H+]1CCC[C@@H](Nc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C1 ZINC000611182177 521027134 /nfs/dbraw/zinc/02/71/34/521027134.db2.gz XMDKSGFZKXTCGR-MRXNPFEDSA-N 1 0 356.426 2.601 20 5 FFBDRO Cc1nc(N2CCO[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]32)ccc1[N+](=O)[O-] ZINC000593496583 521031320 /nfs/dbraw/zinc/03/13/20/521031320.db2.gz SNBAZHDMXYKIDF-RTBURBONSA-N 1 0 368.437 2.778 20 5 FFBDRO Cc1cc(N2CCC(Cn3cnnc3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000593501465 521035201 /nfs/dbraw/zinc/03/52/01/521035201.db2.gz ZVNANKQCOFGJHZ-UHFFFAOYSA-N 1 0 352.398 2.960 20 5 FFBDRO C[C@@H](NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)C1CC[NH+](C)CC1 ZINC000611210422 521038845 /nfs/dbraw/zinc/03/88/45/521038845.db2.gz QLVWELYELXWREL-CQSZACIVSA-N 1 0 360.458 2.999 20 5 FFBDRO Cc1nc([N+](=O)[O-])c(-c2noc(-c3ccc(C[NH+]4CCCC4)cc3)n2)n1C ZINC000618424684 521061604 /nfs/dbraw/zinc/06/16/04/521061604.db2.gz KRFYDVFOLLJVDD-UHFFFAOYSA-N 1 0 368.397 2.950 20 5 FFBDRO C[C@H](CNC(=O)c1c(Br)cccc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000599303527 521138307 /nfs/dbraw/zinc/13/83/07/521138307.db2.gz RBJHTYMXXGFDRP-SECBINFHSA-N 1 0 356.220 2.570 20 5 FFBDRO CC[N@H+](CCNC(=O)c1c(Br)cccc1[N+](=O)[O-])C1CC1 ZINC000599311074 521142810 /nfs/dbraw/zinc/14/28/10/521142810.db2.gz CSANWFLQOFHWEV-UHFFFAOYSA-N 1 0 356.220 2.571 20 5 FFBDRO CCc1ccc([C@@H]([NH2+]CC[C@@]2(O)CCOC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000593723212 521176641 /nfs/dbraw/zinc/17/66/41/521176641.db2.gz SMXWBEFVXAXILB-RBUKOAKNSA-N 1 0 360.410 2.971 20 5 FFBDRO CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N(C)CC[NH+]1CCCCC1 ZINC000593761728 521200398 /nfs/dbraw/zinc/20/03/98/521200398.db2.gz PDHNJQRBJTWQDN-UHFFFAOYSA-N 1 0 358.446 2.795 20 5 FFBDRO COC(=O)c1cnc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC000599433188 521219259 /nfs/dbraw/zinc/21/92/59/521219259.db2.gz CTHLXYIJOQDMQC-CQSZACIVSA-N 1 0 356.382 2.551 20 5 FFBDRO C[N@@H+]1CCC[C@@H](NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000618806260 521246481 /nfs/dbraw/zinc/24/64/81/521246481.db2.gz PUJLJXFMYDPXSR-GFCCVEGCSA-N 1 0 360.336 2.507 20 5 FFBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000611614717 521249220 /nfs/dbraw/zinc/24/92/20/521249220.db2.gz CLMDHNWBGLIFOZ-VXGBXAGGSA-N 1 0 355.341 2.553 20 5 FFBDRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)c3c(Cl)cccc3[N+](=O)[O-])C2)C1 ZINC000593910678 521287686 /nfs/dbraw/zinc/28/76/86/521287686.db2.gz BDDHLZRHMWTJOG-JMSVASOKSA-N 1 0 367.833 2.607 20 5 FFBDRO C[C@@H]1CCCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)[C@H]1CC[NH3+] ZINC000593914226 521289149 /nfs/dbraw/zinc/28/91/49/521289149.db2.gz BGQXNKQYNHTTHX-ZBFHGGJFSA-N 1 0 360.458 2.785 20 5 FFBDRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000593918792 521289904 /nfs/dbraw/zinc/28/99/04/521289904.db2.gz JHZNDLGYXBLFBA-INWMFGNUSA-N 1 0 367.833 2.749 20 5 FFBDRO C[C@H]1C[C@@H](N(C)C(=O)c2c(Br)cccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000599567843 521304277 /nfs/dbraw/zinc/30/42/77/521304277.db2.gz POBTVZMUECJYRO-QWRGUYRKSA-N 1 0 370.247 2.912 20 5 FFBDRO CCOc1cc(NC(=O)N[C@@H]2CC[NH2+][C@H]2CC)c([N+](=O)[O-])cc1OCC ZINC000599598564 521322512 /nfs/dbraw/zinc/32/25/12/521322512.db2.gz GFYHNRDMAAMLLI-NWDGAFQWSA-N 1 0 366.418 2.654 20 5 FFBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000599614284 521332754 /nfs/dbraw/zinc/33/27/54/521332754.db2.gz FJOYGOLOPGIKCI-LLVKDONJSA-N 1 0 370.247 2.914 20 5 FFBDRO O=C(NCCC[NH2+]Cc1cccnc1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000602424795 521337110 /nfs/dbraw/zinc/33/71/10/521337110.db2.gz LZNRAIHGLDYMLU-UHFFFAOYSA-N 1 0 368.437 2.708 20 5 FFBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000599639700 521351951 /nfs/dbraw/zinc/35/19/51/521351951.db2.gz MZCJWPKRCFABJF-XAYKYTGQSA-N 1 0 358.398 2.800 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H]1c1ccc(=O)[nH]n1 ZINC000599641285 521352776 /nfs/dbraw/zinc/35/27/76/521352776.db2.gz MOHIOGVKNZEJFI-MRXNPFEDSA-N 1 0 371.397 2.565 20 5 FFBDRO C[C@@H]1C[C@H](N(C)Cc2cn(C)nc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000602472320 521362620 /nfs/dbraw/zinc/36/26/20/521362620.db2.gz DZEJDPCQHDCLRZ-CRAIPNDOSA-N 1 0 357.458 2.813 20 5 FFBDRO CO[C@H](C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)C1CCOCC1 ZINC000602472771 521366971 /nfs/dbraw/zinc/36/69/71/521366971.db2.gz BQYGGCNMHTZJGL-LJQANCHMSA-N 1 0 364.442 2.880 20 5 FFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000596913195 521375898 /nfs/dbraw/zinc/37/58/98/521375898.db2.gz SRAXKQIOQNPDHR-MRXNPFEDSA-N 1 0 362.430 2.532 20 5 FFBDRO COC(=O)C(C)(C)C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602505499 521384326 /nfs/dbraw/zinc/38/43/26/521384326.db2.gz LGWAQGRRKAXPFD-UHFFFAOYSA-N 1 0 351.222 2.708 20 5 FFBDRO Cc1c(CN(C)CC(=O)Nc2ccc3c(c2)OCCO3)cccc1[N+](=O)[O-] ZINC000599682553 521397528 /nfs/dbraw/zinc/39/75/28/521397528.db2.gz FZGZQTHYCCJZKB-UHFFFAOYSA-N 1 0 371.393 2.745 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@H](C)c1cnccc1C ZINC000611940218 521403427 /nfs/dbraw/zinc/40/34/27/521403427.db2.gz ZXDNTADRCHMARV-OLZOCXBDSA-N 1 0 358.398 2.985 20 5 FFBDRO CC(=O)NC[C@@H]1CCCCN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000599691508 521405328 /nfs/dbraw/zinc/40/53/28/521405328.db2.gz SDLYHODOMAJMHU-KRWDZBQOSA-N 1 0 358.398 2.740 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCSCC(F)(F)F)CC2)cn1 ZINC000602577525 521418683 /nfs/dbraw/zinc/41/86/83/521418683.db2.gz VINWQRYAAYPPHR-UHFFFAOYSA-N 1 0 364.393 2.844 20 5 FFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]CC1CCS(=O)(=O)CC1 ZINC000602579875 521420861 /nfs/dbraw/zinc/42/08/61/521420861.db2.gz IZGCTOBSTOPGHP-UHFFFAOYSA-N 1 0 366.361 2.528 20 5 FFBDRO C[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[C@@H](O)Cc1ccccc1 ZINC000602583163 521422608 /nfs/dbraw/zinc/42/26/08/521422608.db2.gz RBIGIUBMHUZDGV-BEFAXECRSA-N 1 0 370.453 2.540 20 5 FFBDRO CCO[C@@H]1COCC[C@H]1[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602612616 521437901 /nfs/dbraw/zinc/43/79/01/521437901.db2.gz HZBXQZNYOGHOAA-GHMZBOCLSA-N 1 0 365.249 2.702 20 5 FFBDRO C[S@@](=O)C1(C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CCC1 ZINC000602646197 521455774 /nfs/dbraw/zinc/45/57/74/521455774.db2.gz AJDRDFIVHIRSRK-LJQANCHMSA-N 1 0 367.290 2.810 20 5 FFBDRO Cc1cc(NC(=O)N2CCC(C)([NH+]3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000599769234 521459817 /nfs/dbraw/zinc/45/98/17/521459817.db2.gz SOXCBTMPQHCQHO-UHFFFAOYSA-N 1 0 362.430 2.622 20 5 FFBDRO O=C1C[C@@H](C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CN1C1CC1 ZINC000602711699 521491507 /nfs/dbraw/zinc/49/15/07/521491507.db2.gz JLFGGADUFKUMRR-JTQLQIEISA-N 1 0 357.332 2.714 20 5 FFBDRO Nc1c(NC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc(Cl)cc1[N+](=O)[O-] ZINC000597093936 521499702 /nfs/dbraw/zinc/49/97/02/521499702.db2.gz CYBVNAUCLLCZOB-JQWIXIFHSA-N 1 0 353.810 2.579 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCCN(c2cccc(F)c2F)CC1 ZINC000602837675 521562469 /nfs/dbraw/zinc/56/24/69/521562469.db2.gz YHSPDYYXAFUAGP-UHFFFAOYSA-N 1 0 365.384 2.590 20 5 FFBDRO CCOC(=O)[C@]1(C)CCC[C@@H]1[NH2+]Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000597241606 521592751 /nfs/dbraw/zinc/59/27/51/521592751.db2.gz UJZDPXKSQFEMID-FUHWJXTLSA-N 1 0 366.414 2.824 20 5 FFBDRO C[NH+](C)CCn1cc(Nc2ccc([N+](=O)[O-])cc2Br)cn1 ZINC000619586476 521785598 /nfs/dbraw/zinc/78/55/98/521785598.db2.gz XRVRMBFWJZFOIS-UHFFFAOYSA-N 1 0 354.208 2.859 20 5 FFBDRO COc1ccc(C[NH2+]CC=Cc2ccccc2[N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000826202703 607567881 /nfs/dbraw/zinc/56/78/81/607567881.db2.gz JAPJOHUKNPQMLL-XQRVVYSFSA-N 1 0 366.381 2.587 20 5 FFBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC000823648384 606999898 /nfs/dbraw/zinc/99/98/98/606999898.db2.gz VWTUPODHPYBCJE-KRWDZBQOSA-N 1 0 364.409 2.886 20 5 FFBDRO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])c(-c2nn[nH]n2)c1)C1CCCCC1 ZINC000825848843 607840570 /nfs/dbraw/zinc/84/05/70/607840570.db2.gz GJCQLYZYNOWHDA-MRXNPFEDSA-N 1 0 359.434 2.697 20 5 FFBDRO C[C@@H]([NH2+]CCOc1cccc(-c2nn[nH]n2)c1)c1cccc([N+](=O)[O-])c1 ZINC000824599791 608470192 /nfs/dbraw/zinc/47/01/92/608470192.db2.gz SMNLFMZAJUPZFN-GFCCVEGCSA-N 1 0 354.370 2.505 20 5 FFBDRO CC[C@@H]([NH2+]C[C@H](O)c1ccc(-c2nn[nH]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000825141840 608552083 /nfs/dbraw/zinc/55/20/83/608552083.db2.gz QOBNTZGDLGUZNO-SJORKVTESA-N 1 0 368.397 2.549 20 5 FFBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164625866 719086925 /nfs/dbraw/zinc/08/69/25/719086925.db2.gz HESZIOCQDDWPKB-PKOBYXMFSA-N 1 0 368.437 2.637 20 5 FFBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N2CC3(C2)CC[N@H+](CC2CC2)C3)n1 ZINC001164766339 721281606 /nfs/dbraw/zinc/28/16/06/721281606.db2.gz DPEZIVJTZHVYMP-UHFFFAOYSA-N 1 0 369.878 2.682 20 5 FFBDRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1nc(Cl)c(Cl)cc1[N+](=O)[O-] ZINC001164929986 721856311 /nfs/dbraw/zinc/85/63/11/721856311.db2.gz QZOFPNHINMOGGQ-NEPJUHHUSA-N 1 0 374.272 2.511 20 5 FFBDRO CC[N@H+](CCNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)C1CC1 ZINC000155169344 728822078 /nfs/dbraw/zinc/82/20/78/728822078.db2.gz TZKWDPIZGXEFJR-UHFFFAOYSA-N 1 0 371.235 2.963 20 5 FFBDRO C[NH+](C)CC(C)(C)CNC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000159037685 728899676 /nfs/dbraw/zinc/89/96/76/728899676.db2.gz IZHVYQMYVMUHLK-UHFFFAOYSA-N 1 0 358.236 2.675 20 5 FFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCCN(CCF)C1 ZINC000898484631 735367053 /nfs/dbraw/zinc/36/70/53/735367053.db2.gz VLRKCVVBBUZFIQ-QWHCGFSZSA-N 1 0 355.435 2.626 20 5 FFBDRO COc1c(O)ccc(C[N@@H+]2CCCC[C@@H]([C@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC000898513777 735373475 /nfs/dbraw/zinc/37/34/75/735373475.db2.gz YEOKOPMMSHXVFA-HIFRSBDPSA-N 1 0 350.415 2.948 20 5 FFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCc3ncc(Br)n3C2)cc1 ZINC000898727509 735400973 /nfs/dbraw/zinc/40/09/73/735400973.db2.gz YCOYDPFWXJTGMD-NSHDSACASA-N 1 0 351.204 2.658 20 5 FFBDRO CCCC[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000112308698 728544721 /nfs/dbraw/zinc/54/47/21/728544721.db2.gz BHMGLKANPOBLLJ-UHFFFAOYSA-N 1 0 352.391 2.582 20 5 FFBDRO C[C@@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000126088754 728692986 /nfs/dbraw/zinc/69/29/86/728692986.db2.gz KWZSBIUZYJRNKU-SNVBAGLBSA-N 1 0 363.867 2.503 20 5 FFBDRO C[N@@H+]1CCCC[C@@H]1CN1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000172179714 729021058 /nfs/dbraw/zinc/02/10/58/729021058.db2.gz SJKDWRQKKFTWCZ-QGZVFWFLSA-N 1 0 366.893 2.850 20 5 FFBDRO CC(C)[C@@H](CCN(C)Cn1nccc1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000176151791 729110837 /nfs/dbraw/zinc/11/08/37/729110837.db2.gz SRDUMZBDGUSEEE-CYBMUJFWSA-N 1 0 355.439 2.620 20 5 FFBDRO Cc1csc(Sc2ccc(C(=O)NC[C@H](C)[NH3+])cc2[N+](=O)[O-])n1 ZINC000194884708 729523938 /nfs/dbraw/zinc/52/39/38/729523938.db2.gz LSJSWLHHAYKGFU-QMMMGPOBSA-N 1 0 352.441 2.588 20 5 FFBDRO O=[N+]([O-])c1c(Br)cccc1NC[C@H]1CCC[N@H+]1CCCO ZINC000856761586 730355588 /nfs/dbraw/zinc/35/55/88/730355588.db2.gz RTRGGBZTVCDXHI-LLVKDONJSA-N 1 0 358.236 2.616 20 5 FFBDRO O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])OCC[NH+]1CCC1 ZINC000861384782 730606855 /nfs/dbraw/zinc/60/68/55/730606855.db2.gz XQRPGSJEPIUUFN-UHFFFAOYSA-N 1 0 361.320 2.665 20 5 FFBDRO C[NH+](C)C1(C)CCC(Nc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000866147372 731034770 /nfs/dbraw/zinc/03/47/70/731034770.db2.gz OVEZJFITAVINRH-UHFFFAOYSA-N 1 0 361.489 2.735 20 5 FFBDRO C[C@H](NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000868013358 731251357 /nfs/dbraw/zinc/25/13/57/731251357.db2.gz UEKJRYCRMDROSO-NSHDSACASA-N 1 0 355.822 2.521 20 5 FFBDRO CC(C)[C@H](C(=O)OC1CC(n2cc([N+](=O)[O-])cn2)C1)[NH+]1CCCCC1 ZINC000870828605 731562994 /nfs/dbraw/zinc/56/29/94/731562994.db2.gz SVRGJYUEMRYAHZ-AVVWSFFYSA-N 1 0 350.419 2.549 20 5 FFBDRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc([N+](=O)[O-])cc1Br ZINC000870974007 731582415 /nfs/dbraw/zinc/58/24/15/731582415.db2.gz DYOIIQWBELXJFZ-JGPRNRPPSA-N 1 0 368.231 2.618 20 5 FFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000873169710 731884048 /nfs/dbraw/zinc/88/40/48/731884048.db2.gz HOUYFYQTERYVOP-RRSWCFCWSA-N 1 0 364.467 2.944 20 5 FFBDRO C[C@@H]1CN(c2cc(Br)ccc2[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC000780655010 738565892 /nfs/dbraw/zinc/56/58/92/738565892.db2.gz NNJQBSHDMSXRQV-LLVKDONJSA-N 1 0 372.263 2.639 20 5 FFBDRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000874830733 732104796 /nfs/dbraw/zinc/10/47/96/732104796.db2.gz SSOOZDBWODIGQO-ZIAGYGMSSA-N 1 0 355.797 2.625 20 5 FFBDRO [NH3+]C[C@@H]1CN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC[C@@H]1C(F)(F)F ZINC000877017774 732312763 /nfs/dbraw/zinc/31/27/63/732312763.db2.gz QZVWAYSPEGOYQJ-CIYRCRHJSA-N 1 0 357.332 2.594 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000877018090 732313221 /nfs/dbraw/zinc/31/32/21/732313221.db2.gz KTUZSQWPEMNRSA-RYUDHWBXSA-N 1 0 359.348 2.811 20 5 FFBDRO C[N@@H+]1CC[C@H]2CN(Cc3ccc(Br)c([N+](=O)[O-])c3)CC[C@@H]21 ZINC000877742369 732422331 /nfs/dbraw/zinc/42/23/31/732422331.db2.gz DABYVQCXJPUQLD-JSGCOSHPSA-N 1 0 354.248 2.883 20 5 FFBDRO COc1cc(C[N@@H+]2CC[C@H](C(C)(C)O)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000877834967 732444284 /nfs/dbraw/zinc/44/42/84/732444284.db2.gz CDHSIQWABNQIKT-NSHDSACASA-N 1 0 360.357 2.798 20 5 FFBDRO CN(Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C[C@@H]1CCC[N@@H+]1C ZINC000878722349 732583036 /nfs/dbraw/zinc/58/30/36/732583036.db2.gz FABKEAWCTBGHNL-LBPRGKRZSA-N 1 0 365.821 2.824 20 5 FFBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879575734 732727432 /nfs/dbraw/zinc/72/74/32/732727432.db2.gz MYBKEAHCKURVSS-XHBSWPGZSA-N 1 0 366.849 2.601 20 5 FFBDRO Cc1csc([C@@H]2CC[N@H+](C[C@H](O)COc3ccccc3[N+](=O)[O-])C2)n1 ZINC000880008760 732818779 /nfs/dbraw/zinc/81/87/79/732818779.db2.gz HDKAYOSQULOXOA-KGLIPLIRSA-N 1 0 363.439 2.589 20 5 FFBDRO O=[N+]([O-])c1ccc(Cl)cc1CN1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880207553 732865606 /nfs/dbraw/zinc/86/56/06/732865606.db2.gz HRLWENIWFTZIFT-INIZCTEOSA-N 1 0 353.850 2.981 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000881468901 733058643 /nfs/dbraw/zinc/05/86/43/733058643.db2.gz HWQZUESTIXLZQM-ZDUSSCGKSA-N 1 0 367.833 2.621 20 5 FFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]Cc2nc3c(s2)COCC3)n1 ZINC000927117197 738692564 /nfs/dbraw/zinc/69/25/64/738692564.db2.gz KJJFSOQFWGVZCP-YPMHNXCESA-N 1 0 363.443 2.594 20 5 FFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCc2nnn(C)c2C1 ZINC000927150674 738697265 /nfs/dbraw/zinc/69/72/65/738697265.db2.gz NQWBIEVCBADALU-OLZOCXBDSA-N 1 0 361.471 2.741 20 5 FFBDRO NC(=O)C1([NH+]2CCCCC2)CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000882816486 733298170 /nfs/dbraw/zinc/29/81/70/733298170.db2.gz MZCNLAVNGYIEIO-UHFFFAOYSA-N 1 0 366.849 2.558 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])c(N(C)CC2([NH+](C)C)CCC2)cc1Cl ZINC000782427378 738720825 /nfs/dbraw/zinc/72/08/25/738720825.db2.gz NYIFYFQKRAMIJL-UHFFFAOYSA-N 1 0 355.822 2.955 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1C ZINC000884433859 733524452 /nfs/dbraw/zinc/52/44/52/733524452.db2.gz ULFFVMVLAJAVAW-NWDGAFQWSA-N 1 0 359.348 2.811 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@@H](CO)C[C@H]3CCCO3)cs2)c1 ZINC000886228670 733762689 /nfs/dbraw/zinc/76/26/89/733762689.db2.gz DGPXMADHSNHZBC-CZUORRHYSA-N 1 0 363.439 2.738 20 5 FFBDRO C[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000886294849 733771188 /nfs/dbraw/zinc/77/11/88/733771188.db2.gz YPVZJCLYEBTYKG-RISCZKNCSA-N 1 0 366.464 2.846 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1CC[C@]2(CO[C@H](C)C2)O1 ZINC000886333291 733775035 /nfs/dbraw/zinc/77/50/35/733775035.db2.gz GEJGBQZSCJYHOY-SKDZVZGDSA-N 1 0 350.415 2.810 20 5 FFBDRO O=C(C[N@@H+]1CC[C@H]([C@@H]2CCCO2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000886829649 733846168 /nfs/dbraw/zinc/84/61/68/733846168.db2.gz DTAHCHCJZBRYFN-NHYWBVRUSA-N 1 0 353.806 2.688 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2nc(-c3cn(C[C@H]4CCC[NH2+]4)nn3)cs2)cc1 ZINC000887403886 733922822 /nfs/dbraw/zinc/92/28/22/733922822.db2.gz LWFNSFHGBAOIAU-GFCCVEGCSA-N 1 0 356.411 2.729 20 5 FFBDRO CCC[NH+](CCC)CCCNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000728060142 734515205 /nfs/dbraw/zinc/51/52/05/734515205.db2.gz NBUFDIDZZGUXMA-UHFFFAOYSA-N 1 0 361.439 2.524 20 5 FFBDRO C[C@]1(NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C[NH+]2CCC1CC2 ZINC000892768583 734601540 /nfs/dbraw/zinc/60/15/40/734601540.db2.gz KQFIYAVKAUEJEU-INIZCTEOSA-N 1 0 355.797 2.530 20 5 FFBDRO C[NH+]1C[C@]2(C)CN(c3ncc([N+](=O)[O-])cc3Br)C[C@@]2(C)C1 ZINC000894797499 734918795 /nfs/dbraw/zinc/91/87/95/734918795.db2.gz MGLWISKGRRNGAZ-ZIAGYGMSSA-N 1 0 355.236 2.530 20 5 FFBDRO CCO/C=C\[C@](O)(C[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)C(F)(F)F ZINC000895705829 735043042 /nfs/dbraw/zinc/04/30/42/735043042.db2.gz BQIMSKBJJRDTJP-AFNCTOJWSA-N 1 0 364.320 2.537 20 5 FFBDRO O=C(C[N@@H+]1CCC[C@@H]([C@H]2CCOC2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000749561896 735731395 /nfs/dbraw/zinc/73/13/95/735731395.db2.gz QOYJDUBXPUOMQY-OLZOCXBDSA-N 1 0 367.833 2.935 20 5 FFBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C1 ZINC000901135546 735748014 /nfs/dbraw/zinc/74/80/14/735748014.db2.gz ODPGEFWEANLYOW-GXFFZTMASA-N 1 0 355.797 2.944 20 5 FFBDRO COc1cc([C@H](C)[NH2+]CC(C)(C)C2(O)CCOCC2)cc([N+](=O)[O-])c1 ZINC000903189912 736052491 /nfs/dbraw/zinc/05/24/91/736052491.db2.gz KOYFQLXPRWXQSB-ZDUSSCGKSA-N 1 0 352.431 2.822 20 5 FFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1nc(CN(C)C)cs1 ZINC000903218993 736057901 /nfs/dbraw/zinc/05/79/01/736057901.db2.gz CSNOCUMTHOBMLO-NSHDSACASA-N 1 0 352.435 2.973 20 5 FFBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903719106 736159485 /nfs/dbraw/zinc/15/94/85/736159485.db2.gz VYFKJEWGPNMGBC-OAHLLOKOSA-N 1 0 353.850 2.839 20 5 FFBDRO CC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000755036487 736228070 /nfs/dbraw/zinc/22/80/70/736228070.db2.gz XMGCQWZOWKJFLO-JTQLQIEISA-N 1 0 371.235 2.821 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]C[C@H](O)C[C@H](O)c1ccccc1 ZINC000905199873 736308744 /nfs/dbraw/zinc/30/87/44/736308744.db2.gz CERKEJGSHLXLRO-AEFFLSMTSA-N 1 0 364.829 2.865 20 5 FFBDRO O=C(CC[NH2+]C[C@H]1CC[C@@H](C(F)(F)F)O1)Nc1ccccc1[N+](=O)[O-] ZINC000905515773 736349468 /nfs/dbraw/zinc/34/94/68/736349468.db2.gz HFQLIYODBULQBA-MFKMUULPSA-N 1 0 361.320 2.623 20 5 FFBDRO CC1(C)C[C@H](C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C(C)(C)O1 ZINC000905618769 736369888 /nfs/dbraw/zinc/36/98/88/736369888.db2.gz INLCDCNMVJUBCG-HIFRSBDPSA-N 1 0 352.431 2.518 20 5 FFBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC000906969754 736566606 /nfs/dbraw/zinc/56/66/06/736566606.db2.gz BETJTCRYMZUSDD-BZNIZROVSA-N 1 0 351.834 2.780 20 5 FFBDRO C[NH+](C)CCOC1CCN(c2ccc([N+](=O)[O-])cc2OC(F)F)CC1 ZINC000760535531 736648201 /nfs/dbraw/zinc/64/82/01/736648201.db2.gz WJSGUCOALJGIBQ-UHFFFAOYSA-N 1 0 359.373 2.743 20 5 FFBDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000801864687 740659353 /nfs/dbraw/zinc/65/93/53/740659353.db2.gz PXWXJTUOAKZUHH-LBPRGKRZSA-N 1 0 352.410 2.701 20 5 FFBDRO C[NH+](C)C1(C)CCN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CC1 ZINC000913393795 737398455 /nfs/dbraw/zinc/39/84/55/737398455.db2.gz BAONTEVKHIRPRL-UHFFFAOYSA-N 1 0 357.357 2.753 20 5 FFBDRO CC1(C)CCC[N@H+](CCNC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1 ZINC000768110206 737398844 /nfs/dbraw/zinc/39/88/44/737398844.db2.gz PKLNYGCFZBVJTI-UHFFFAOYSA-N 1 0 355.385 2.925 20 5 FFBDRO C[NH+](C)C1(C)CCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000913397314 737398939 /nfs/dbraw/zinc/39/89/39/737398939.db2.gz DGDKMTGOAFTMQC-UHFFFAOYSA-N 1 0 369.849 2.960 20 5 FFBDRO C[N@@H+]1CC[C@]2(CCN(Cc3c(Br)cccc3[N+](=O)[O-])C2)C1 ZINC000814178252 741801096 /nfs/dbraw/zinc/80/10/96/741801096.db2.gz JAQRIZYRGWCTNL-HNNXBMFYSA-N 1 0 354.248 2.885 20 5 FFBDRO CC[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[C@@H](O)C(F)(F)F ZINC000773129374 737874052 /nfs/dbraw/zinc/87/40/52/737874052.db2.gz FNEISLJYWXSLBG-HUUCEWRRSA-N 1 0 361.364 2.855 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@@H]3C[C@@H]4COC[C@@H]4O3)cs2)c1 ZINC000922724200 738192015 /nfs/dbraw/zinc/19/20/15/738192015.db2.gz FRGIMHQRZGMXRJ-KCXAZCMYSA-N 1 0 361.423 2.612 20 5 FFBDRO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC([NH2+]C2CCOCC2)CC1 ZINC000922849950 738209240 /nfs/dbraw/zinc/20/92/40/738209240.db2.gz QQGBGCHBVLGYBA-UHFFFAOYSA-N 1 0 367.833 2.621 20 5 FFBDRO C[NH+](C)C1(C)CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000931353080 739249731 /nfs/dbraw/zinc/24/97/31/739249731.db2.gz LHCSHOYZAFPQDO-UHFFFAOYSA-N 1 0 354.838 2.603 20 5 FFBDRO Cc1cccc(OS(=O)(=O)c2ccc(C[NH+](C)C)cc2)c1[N+](=O)[O-] ZINC000788658676 739269398 /nfs/dbraw/zinc/26/93/98/739269398.db2.gz CAJFGKUHVKELMD-UHFFFAOYSA-N 1 0 350.396 2.733 20 5 FFBDRO Nc1cc[nH+]c2c1CN(Cc1c(Br)cccc1[N+](=O)[O-])CC2 ZINC000931517393 739278784 /nfs/dbraw/zinc/27/87/84/739278784.db2.gz YSMVVPBALRMINL-UHFFFAOYSA-N 1 0 363.215 2.893 20 5 FFBDRO COC[C@H]([NH2+]Cc1c(Br)cccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000931754720 739324206 /nfs/dbraw/zinc/32/42/06/739324206.db2.gz KZYMXCQQUNODFY-FZMZJTMJSA-N 1 0 373.247 2.889 20 5 FFBDRO C[C@@H](CNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000790552603 739468851 /nfs/dbraw/zinc/46/88/51/739468851.db2.gz YLCSSNPNZMSJGA-NSHDSACASA-N 1 0 357.813 2.778 20 5 FFBDRO CC(C)C[C@H]1C[N@H+](C)CCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000933247689 739588769 /nfs/dbraw/zinc/58/87/69/739588769.db2.gz IENQQYLKYYLAPN-AWEZNQCLSA-N 1 0 368.865 2.849 20 5 FFBDRO CC(C)[NH+]1CCN(CCCOC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000791917806 739616430 /nfs/dbraw/zinc/61/64/30/739616430.db2.gz XPKFFNURYNLFPU-UHFFFAOYSA-N 1 0 369.849 2.821 20 5 FFBDRO CCOC(=O)C1([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)CCOCC1 ZINC000933885471 739701050 /nfs/dbraw/zinc/70/10/50/739701050.db2.gz ZBOSFMVRESHXDV-GFCCVEGCSA-N 1 0 354.378 2.572 20 5 FFBDRO CCOC(=O)C[C@@](C)([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(C)C ZINC000792881231 739714835 /nfs/dbraw/zinc/71/48/35/739714835.db2.gz YKMFHQOWSKZMEO-MRXNPFEDSA-N 1 0 353.375 2.961 20 5 FFBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)CCc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000934547897 739802554 /nfs/dbraw/zinc/80/25/54/739802554.db2.gz JUFLACOLDFETPE-AWEZNQCLSA-N 1 0 351.422 2.761 20 5 FFBDRO CCCN(CC[NH+]1CCCC1)S(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC000796095784 740100448 /nfs/dbraw/zinc/10/04/48/740100448.db2.gz ZZKTUCRGZVBIEK-UHFFFAOYSA-N 1 0 373.450 2.539 20 5 FFBDRO CC(C)[N@@H+]1CCO[C@H](COC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000797076851 740210044 /nfs/dbraw/zinc/21/00/44/740210044.db2.gz JXJYFYIIHCPAEO-AWEZNQCLSA-N 1 0 350.415 2.525 20 5 FFBDRO O=[N+]([O-])c1cccc([N+](=O)[O-])c1NCC1([NH+]2CCCC2)CCOCC1 ZINC000804431548 740872276 /nfs/dbraw/zinc/87/22/76/740872276.db2.gz DEOXBQUHQZWXJW-UHFFFAOYSA-N 1 0 350.375 2.560 20 5 FFBDRO CN(CC(F)F)C1CCN(c2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000804534261 740880875 /nfs/dbraw/zinc/88/08/75/740880875.db2.gz FRCSCYCYGPDMKZ-UHFFFAOYSA-N 1 0 357.386 2.765 20 5 FFBDRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3ccc(Cl)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000808447406 741227070 /nfs/dbraw/zinc/22/70/70/741227070.db2.gz PXNIZXLHBXGYCE-OFQRWUPVSA-N 1 0 351.834 2.985 20 5 FFBDRO CSC1(CNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC[NH+](C)CC1 ZINC000812255255 741599821 /nfs/dbraw/zinc/59/98/21/741599821.db2.gz DMXTYHMGZHFTPE-UHFFFAOYSA-N 1 0 357.863 2.805 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000813634295 741741715 /nfs/dbraw/zinc/74/17/15/741741715.db2.gz HZZKXJCXPSTGTC-INIZCTEOSA-N 1 0 353.806 2.567 20 5 FFBDRO C[N@@H+]1CCC[C@@]2(CCN(CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)C2)C1 ZINC000815145234 741907140 /nfs/dbraw/zinc/90/71/40/741907140.db2.gz PUTUSNXMFFOGIK-QGZVFWFLSA-N 1 0 366.849 2.604 20 5 FFBDRO CC(C)[C@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCCO1 ZINC000815314224 741924513 /nfs/dbraw/zinc/92/45/13/741924513.db2.gz KLONPZJWRQQQBZ-MRXNPFEDSA-N 1 0 353.394 2.809 20 5 FFBDRO O=C(NC1CC[NH+](CCCc2ccc(Cl)cc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001002789069 742173764 /nfs/dbraw/zinc/17/37/64/742173764.db2.gz RVUBTEYGYDNGES-IAGOWNOFSA-N 1 0 365.861 2.518 20 5 FFBDRO CNC(=O)C1([NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])CCCC1 ZINC000822746619 742778069 /nfs/dbraw/zinc/77/80/69/742778069.db2.gz JUJKDFBOHKJUNQ-UHFFFAOYSA-N 1 0 356.220 2.506 20 5 FFBDRO CCCC[N@H+](C)CCNC(=O)c1cc(Cl)c([N+](=O)[O-])cc1NC(C)=O ZINC000823277363 742871524 /nfs/dbraw/zinc/87/15/24/742871524.db2.gz UFBMQKJOFXJMBL-UHFFFAOYSA-N 1 0 370.837 2.668 20 5 FFBDRO CN(CC[NH+]1CCCCC1)C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC000824115090 743022416 /nfs/dbraw/zinc/02/24/16/743022416.db2.gz JBEVWQFYQLMBFW-UHFFFAOYSA-N 1 0 358.801 2.527 20 5 FFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CS(=O)(=O)c3ccccc32)cc1Cl ZINC000824515686 743097254 /nfs/dbraw/zinc/09/72/54/743097254.db2.gz GURGRVXPVKAYHW-LBPRGKRZSA-N 1 0 366.826 2.909 20 5 FFBDRO Cc1ccc(C[NH+]2CCC(C)(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c(Cl)c1 ZINC001045437069 743273946 /nfs/dbraw/zinc/27/39/46/743273946.db2.gz BWDLJHLPDUGIQY-GDBMZVCRSA-N 1 0 365.861 2.784 20 5 FFBDRO C[C@H]1CN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC[N@@H+](C2CC2)C1 ZINC000830082583 745303336 /nfs/dbraw/zinc/30/33/36/745303336.db2.gz JUYFXLRBHVPPAA-LBPRGKRZSA-N 1 0 366.849 2.603 20 5 FFBDRO C[C@H]([NH2+]C[C@@H](O)CCNC(=O)OC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000830173236 745317816 /nfs/dbraw/zinc/31/78/16/745317816.db2.gz WBTSSBDIEBZEQJ-WFASDCNBSA-N 1 0 353.419 2.521 20 5 FFBDRO O=C(NC1CC[NH+](C2CCC2)CC1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000837041577 746355136 /nfs/dbraw/zinc/35/51/36/746355136.db2.gz RKDPNCDPESGWLG-UHFFFAOYSA-N 1 0 353.369 2.820 20 5 FFBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2Br)C1 ZINC000839440441 746828635 /nfs/dbraw/zinc/82/86/35/746828635.db2.gz SQPZAIWMWWHZDD-LLVKDONJSA-N 1 0 370.247 2.912 20 5 FFBDRO CO[C@](C)([C@H](C)[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C1CC1 ZINC000839641061 746878765 /nfs/dbraw/zinc/87/87/65/746878765.db2.gz TXZFKFSGTGXKKA-APPDUMDISA-N 1 0 353.394 2.856 20 5 FFBDRO CCC(CC)(C[NH3+])NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841160250 747283684 /nfs/dbraw/zinc/28/36/84/747283684.db2.gz ANWPBNVKCDWNNU-UHFFFAOYSA-N 1 0 359.224 2.996 20 5 FFBDRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841161142 747284466 /nfs/dbraw/zinc/28/44/66/747284466.db2.gz KGBAXOOILFDEHW-CABZTGNLSA-N 1 0 371.235 2.996 20 5 FFBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000841858799 747478002 /nfs/dbraw/zinc/47/80/02/747478002.db2.gz VBSDYTUVBXGSQR-ZDUSSCGKSA-N 1 0 366.849 2.779 20 5 FFBDRO CC(C)[N@@H+]1CCC[C@@H](COC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000842831161 747701462 /nfs/dbraw/zinc/70/14/62/747701462.db2.gz QSDZNNRIRTUWAZ-GFCCVEGCSA-N 1 0 350.371 2.601 20 5 FFBDRO C[NH2+]C[C@H]1CCCN([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000843347347 747814358 /nfs/dbraw/zinc/81/43/58/747814358.db2.gz UVLOFQQSZPNXEH-NWDGAFQWSA-N 1 0 354.838 2.507 20 5 FFBDRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000843361796 747817874 /nfs/dbraw/zinc/81/78/74/747817874.db2.gz KVSDDSOZDXCVKH-YHWZYXNKSA-N 1 0 352.822 2.531 20 5 FFBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000843367811 747818774 /nfs/dbraw/zinc/81/87/74/747818774.db2.gz HWNZXKUQKNGAAK-NDPMZMCLSA-N 1 0 366.849 2.634 20 5 FFBDRO CN(C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000843452039 747838721 /nfs/dbraw/zinc/83/87/21/747838721.db2.gz JRVLMYDTXQZQDS-FOSCPWQOSA-N 1 0 355.797 2.671 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000843454208 747839546 /nfs/dbraw/zinc/83/95/46/747839546.db2.gz KKFGRKWWVZWXEJ-GFCCVEGCSA-N 1 0 367.833 2.618 20 5 FFBDRO CC[C@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CC[C@H]1[NH3+] ZINC000843470821 747841315 /nfs/dbraw/zinc/84/13/15/747841315.db2.gz DTISAPUEDAFLKO-GZMMTYOYSA-N 1 0 374.210 2.696 20 5 FFBDRO CC[C@@H]1CO[C@@H](CC)C[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000844388415 748019178 /nfs/dbraw/zinc/01/91/78/748019178.db2.gz YWMSPDDYQLJDQT-OCCSQVGLSA-N 1 0 353.394 2.952 20 5 FFBDRO CC[C@@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@@H](CC)CO1 ZINC000844388413 748019295 /nfs/dbraw/zinc/01/92/95/748019295.db2.gz YWMSPDDYQLJDQT-GXTWGEPZSA-N 1 0 353.394 2.952 20 5 FFBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(C)CC[NH+]1CCCCC1 ZINC000844464446 748036484 /nfs/dbraw/zinc/03/64/84/748036484.db2.gz OKCBVBAJWLWTKE-ZDUSSCGKSA-N 1 0 368.865 2.993 20 5 FFBDRO C[C@H]1CCCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])[C@H]1CC[NH3+] ZINC000846693169 748524870 /nfs/dbraw/zinc/52/48/70/748524870.db2.gz DFDKERUFIIFZJD-HZMBPMFUSA-N 1 0 357.813 2.906 20 5 FFBDRO C[N@@H+]1CC[C@H](CCOC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000847825214 748790587 /nfs/dbraw/zinc/79/05/87/748790587.db2.gz PJVPZVFQOJHYKY-SNVBAGLBSA-N 1 0 357.204 2.856 20 5 FFBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1conc1C(C)(C)[NH3+] ZINC000848397018 748918514 /nfs/dbraw/zinc/91/85/14/748918514.db2.gz SRPBIESKFHGEFH-UHFFFAOYSA-N 1 0 352.778 2.702 20 5 FFBDRO CCOP(=O)(OCC)[C@H](O)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000851869764 749711889 /nfs/dbraw/zinc/71/18/89/749711889.db2.gz QEJDXQPHHXPMQZ-HNNXBMFYSA-N 1 0 358.331 2.537 20 5 FFBDRO CCC(CC)[C@@H](CNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2)[NH+](C)C ZINC000853136236 750015632 /nfs/dbraw/zinc/01/56/32/750015632.db2.gz YPOLSPGHNDQMHU-OAHLLOKOSA-N 1 0 350.419 2.704 20 5 FFBDRO O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000854332963 750284462 /nfs/dbraw/zinc/28/44/62/750284462.db2.gz KLVYROFKVIWRFP-ZDUSSCGKSA-N 1 0 367.833 2.575 20 5 FFBDRO Cn1cc(C[N@@H+]2CC[C@@H]([C@@H]3CCCO3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000895843990 970992150 /nfs/dbraw/zinc/99/21/50/970992150.db2.gz KWTSVFZGLBPDMO-QAPCUYQASA-N 1 0 356.426 2.996 20 5 FFBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000871752798 1013053991 /nfs/dbraw/zinc/05/39/91/1013053991.db2.gz HCGFRKRJFSLQFC-OXJNMPFZSA-N 1 0 368.437 2.527 20 5 FFBDRO COc1cc(C[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2)ccc1[N+](=O)[O-] ZINC000826179326 947555029 /nfs/dbraw/zinc/55/50/29/947555029.db2.gz JTYUZUUGPPEJCB-LLVKDONJSA-N 1 0 354.370 2.634 20 5 FFBDRO COc1ccccc1OCC[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000053709981 971879399 /nfs/dbraw/zinc/87/93/99/971879399.db2.gz UASYLJNHTKHAMO-UHFFFAOYSA-N 1 0 373.409 2.943 20 5 FFBDRO O=[N+]([O-])c1cc2c(Cl)ncnc2c(-n2ccnc2[C@@H]2CCC[NH2+]C2)c1 ZINC001167059934 959244294 /nfs/dbraw/zinc/24/42/94/959244294.db2.gz LCYDQMOARAPLBR-SNVBAGLBSA-N 1 0 358.789 2.844 20 5 FFBDRO O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1-n1c2ccc(F)cc2c2c1CC[NH2+]C2 ZINC001167087312 959871065 /nfs/dbraw/zinc/87/10/65/959871065.db2.gz SLOKYGVUQCDEKK-UHFFFAOYSA-N 1 0 362.748 2.610 20 5 FFBDRO COC(=O)CCC1CC[NH+](Cn2nc(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000121250521 963199433 /nfs/dbraw/zinc/19/94/33/963199433.db2.gz PTFXZYURDRZQRG-UHFFFAOYSA-N 1 0 360.414 2.876 20 5 FFBDRO COC(=O)[C@@]1(C)C[N@@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]1C ZINC001175300897 1013432992 /nfs/dbraw/zinc/43/29/92/1013432992.db2.gz IVEGPSZFKWUCFZ-PZROIBLQSA-N 1 0 374.397 2.837 20 5 FFBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCCCC12CC[NH2+]CC2 ZINC000891410970 963895844 /nfs/dbraw/zinc/89/58/44/963895844.db2.gz XFWUWJPANYKDNK-QGZVFWFLSA-N 1 0 360.458 2.749 20 5 FFBDRO C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C[C@H]1CCN1C(=O)OC(C)(C)C ZINC000933468061 964429455 /nfs/dbraw/zinc/42/94/55/964429455.db2.gz QBKRQZHXFJPANS-CVEARBPZSA-N 1 0 365.430 2.569 20 5 FFBDRO C[NH+]1CCN(c2ccc(Nc3cc([N+](=O)[O-])ccc3F)cc2CO)CC1 ZINC001175736838 1013547166 /nfs/dbraw/zinc/54/71/66/1013547166.db2.gz MWKYMMJTOKYXSD-UHFFFAOYSA-N 1 0 360.389 2.722 20 5 FFBDRO Cc1cccc(CN(CC[NH+](C)C)C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000825694087 1013621419 /nfs/dbraw/zinc/62/14/19/1013621419.db2.gz RDROGKVAKAFHJE-IBGZPJMESA-N 1 0 371.437 2.527 20 5 FFBDRO Cc1cc(S(=O)(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)c([N+](=O)[O-])s1 ZINC001213164962 967084848 /nfs/dbraw/zinc/08/48/48/967084848.db2.gz HGZUVNFJOLMCLE-LBPRGKRZSA-N 1 0 373.500 2.650 20 5 FFBDRO CCC1([NH+](C)C)CCN(c2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])CC1 ZINC000894935441 967115946 /nfs/dbraw/zinc/11/59/46/967115946.db2.gz YVTJOORHGYNVKR-UHFFFAOYSA-N 1 0 358.442 2.757 20 5 FFBDRO CC[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1c(C)ccc2ccccc21 ZINC001480973926 969470566 /nfs/dbraw/zinc/47/05/66/969470566.db2.gz BPYFPMXRQVTXBY-IEBWSBKVSA-N 1 0 355.438 2.752 20 5 FFBDRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000892596795 969551566 /nfs/dbraw/zinc/55/15/66/969551566.db2.gz SZYWRHYUZAJFHZ-RBVVOMGSSA-N 1 0 358.442 2.799 20 5 FFBDRO Cn1c2ccccc2c(N2CC[C@@H](C[NH+]3CCCCC3)C2)c([N+](=O)[O-])c1=O ZINC000892686684 969945942 /nfs/dbraw/zinc/94/59/42/969945942.db2.gz BOWSIVNRYOVONB-HNNXBMFYSA-N 1 0 370.453 2.759 20 5 FFBDRO CC[NH+](CC)C[C@H]1CCN(c2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])C1 ZINC000892721504 970249160 /nfs/dbraw/zinc/24/91/60/970249160.db2.gz BHNDFMJQUONGLT-CQSZACIVSA-N 1 0 358.442 2.615 20 5 FFBDRO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3ccc(C4CCCC4)cc3)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025775531 970416351 /nfs/dbraw/zinc/41/63/51/970416351.db2.gz FDXCAZLHGWKDSB-OBKDMQGPSA-N 1 0 369.465 2.556 20 5 FFBDRO CC[NH2+][C@H](C)CNC(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000262436520 973184408 /nfs/dbraw/zinc/18/44/08/973184408.db2.gz GMNMDKHBSJGZFH-QLFBSQMISA-N 1 0 362.474 2.805 20 5 FFBDRO C[C@H](CNC(=O)N1CC[C@H]([NH+]2CCCCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000897071873 973220277 /nfs/dbraw/zinc/22/02/77/973220277.db2.gz YKWAIKLCYFYBNN-CVEARBPZSA-N 1 0 360.458 2.968 20 5 FFBDRO C[C@H](CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000897071531 973221036 /nfs/dbraw/zinc/22/10/36/973221036.db2.gz FJQAKFAVRIOBCQ-HZPDHXFCSA-N 1 0 360.458 2.968 20 5 FFBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]CCc3cccc4c3OCCO4)nc2c1 ZINC000897210651 973439118 /nfs/dbraw/zinc/43/91/18/973439118.db2.gz UPMCBLWLZABTJN-UHFFFAOYSA-N 1 0 355.350 2.840 20 5 FFBDRO COCCN(CC1CC[NH+](C)CC1)C(=O)c1c(C)ccc([N+](=O)[O-])c1C ZINC000876166454 1014156285 /nfs/dbraw/zinc/15/62/85/1014156285.db2.gz VQYFGHZDHLHPPQ-UHFFFAOYSA-N 1 0 363.458 2.642 20 5 FFBDRO CCC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])[C@@H](C)C(=O)Nc1ccccc1 ZINC001168074377 974186777 /nfs/dbraw/zinc/18/67/77/974186777.db2.gz RHECGGVEZBMMPU-AWEZNQCLSA-N 1 0 359.430 2.839 20 5 FFBDRO COC(=O)c1ccc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1C ZINC000894078664 977656896 /nfs/dbraw/zinc/65/68/96/977656896.db2.gz KUPMHFLZUWEIIC-UHFFFAOYSA-N 1 0 358.398 2.723 20 5 FFBDRO Cn1c2ccccc2c(NC2CC[NH+](C3CCC3)CC2)c([N+](=O)[O-])c1=O ZINC000894108905 977779931 /nfs/dbraw/zinc/77/99/31/977779931.db2.gz XXSWEZJVZHZKTM-UHFFFAOYSA-N 1 0 356.426 2.876 20 5 FFBDRO C[C@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)c1cccc(N2CCCC2=O)c1 ZINC000876972071 1014436535 /nfs/dbraw/zinc/43/65/35/1014436535.db2.gz HDLNYHXTOHFRFL-KTAKPFMOSA-N 1 0 369.425 2.972 20 5 FFBDRO CCCN(CC[NH+]1CCCC1)S(=O)(=O)c1cc(F)c(C)cc1[N+](=O)[O-] ZINC001211802355 977918889 /nfs/dbraw/zinc/91/88/89/977918889.db2.gz HCVQCULKCSFMAG-UHFFFAOYSA-N 1 0 373.450 2.539 20 5 FFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@@H](O)c3ccccc3C(F)(F)F)C2)c1 ZINC000876989488 1014441624 /nfs/dbraw/zinc/44/16/24/1014441624.db2.gz VIDDVOXHVXXWPO-QKFMDRJYSA-N 1 0 370.331 2.837 20 5 FFBDRO Cc1c(C(=O)NCC[N@H+]2CCCC[C@@H]2C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000126244396 977997737 /nfs/dbraw/zinc/99/77/37/977997737.db2.gz OPTXAPGLTMZHHX-NSHDSACASA-N 1 0 364.402 2.724 20 5 FFBDRO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877073942 1014469283 /nfs/dbraw/zinc/46/92/83/1014469283.db2.gz WAUXUJJGPLDYBU-ZPQVWODMSA-N 1 0 369.469 2.995 20 5 FFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@H]3CCCN(c4ccccc4F)C3)C2)c1 ZINC000877126529 1014480644 /nfs/dbraw/zinc/48/06/44/1014480644.db2.gz MRVRTCGHSCJFCB-NFOMZHRRSA-N 1 0 359.405 2.893 20 5 FFBDRO CC(C)c1ccc(C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000877328868 1014550359 /nfs/dbraw/zinc/55/03/59/1014550359.db2.gz LXUHQNSJTRIPIN-HNNXBMFYSA-N 1 0 361.442 2.607 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H](CCO)Cc3ccccc3)CC2)cn1 ZINC000877498734 1014602556 /nfs/dbraw/zinc/60/25/56/1014602556.db2.gz UTEDLVUSGGFGGO-SFHVURJKSA-N 1 0 370.453 2.542 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3C[C@H](O)c4ccccc43)CC2)cn1 ZINC000877630072 1014653169 /nfs/dbraw/zinc/65/31/69/1014653169.db2.gz YOVHGFNHDQXORL-MSOLQXFVSA-N 1 0 354.410 2.727 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CC[C@@H]1OCCc2ccccc21 ZINC000905625008 980475585 /nfs/dbraw/zinc/47/55/85/980475585.db2.gz ONVOZTKDSMHKIE-LPHOPBHVSA-N 1 0 372.421 2.628 20 5 FFBDRO C[NH+](C)CCCC(C)(C)NC(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC000905876819 980537618 /nfs/dbraw/zinc/53/76/18/980537618.db2.gz XOTZCRNGHJINTJ-UHFFFAOYSA-N 1 0 365.430 2.606 20 5 FFBDRO COC(=O)c1coc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000877699549 1014690023 /nfs/dbraw/zinc/69/00/23/1014690023.db2.gz OOJFGLIIORZLRC-UHFFFAOYSA-N 1 0 359.382 2.733 20 5 FFBDRO Cc1ccccc1C1CC([NH2+][C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000877831778 1014747710 /nfs/dbraw/zinc/74/77/10/1014747710.db2.gz YYKGQFFYKBPENH-YEYPGUGLSA-N 1 0 356.422 2.833 20 5 FFBDRO O=[N+]([O-])c1ccccc1-c1nnc(CN2CCC[C@H]2C[NH+]2CCCC2)o1 ZINC000878036883 1014828510 /nfs/dbraw/zinc/82/85/10/1014828510.db2.gz RTLSOFVDYDCQCN-AWEZNQCLSA-N 1 0 357.414 2.705 20 5 FFBDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3cc4ccccc4c([N+](=O)[O-])c3N)C2)C1 ZINC000897848808 982536806 /nfs/dbraw/zinc/53/68/06/982536806.db2.gz BYWBEPVMRDQHOF-HXUWFJFHSA-N 1 0 368.437 2.888 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000878286176 1014966575 /nfs/dbraw/zinc/96/65/75/1014966575.db2.gz KIVJQCXFWCXKHH-DLBZAZTESA-N 1 0 362.405 2.827 20 5 FFBDRO O=C(NCCNc1ccccc1[N+](=O)[O-])[C@H]1CCCCC12CC[NH2+]CC2 ZINC000912113613 983959549 /nfs/dbraw/zinc/95/95/49/983959549.db2.gz OPMBLRPRXTUTJJ-OAHLLOKOSA-N 1 0 360.458 2.683 20 5 FFBDRO C[N@@H+]1C[C@@]2(C)CN(C(=O)c3ccc(OC(F)F)c([N+](=O)[O-])c3)C[C@@]2(C)C1 ZINC000913282208 984230731 /nfs/dbraw/zinc/23/07/31/984230731.db2.gz ZYYBTURIZAYNSC-CALCHBBNSA-N 1 0 369.368 2.610 20 5 FFBDRO C[NH+](C)CC1(CNC(=O)CCc2cc(F)ccc2[N+](=O)[O-])CCCC1 ZINC001127842389 985008379 /nfs/dbraw/zinc/00/83/79/985008379.db2.gz DOFDUBZXSUYNAH-UHFFFAOYSA-N 1 0 351.422 2.905 20 5 FFBDRO CNc1c(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)cccc1[N+](=O)[O-] ZINC000765369192 985046402 /nfs/dbraw/zinc/04/64/02/985046402.db2.gz OALRHSSXMXJDCE-UHFFFAOYSA-N 1 0 369.425 2.641 20 5 FFBDRO Cc1cc(C(=O)NC2CC[NH+](CC3CCCC3)CC2)c(N)c([N+](=O)[O-])c1 ZINC000171472636 985293237 /nfs/dbraw/zinc/29/32/37/985293237.db2.gz ADJRZWAGCPFYBS-UHFFFAOYSA-N 1 0 360.458 2.870 20 5 FFBDRO Cc1noc(C)c1CO[C@@H]1CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000762638101 988544200 /nfs/dbraw/zinc/54/42/00/988544200.db2.gz AIQXIRNYLWIISA-SJLPKXTDSA-N 1 0 361.398 2.524 20 5 FFBDRO COc1cc(C[NH2+]C[C@@](C)(O)c2cccc(F)c2)c([N+](=O)[O-])cc1OC ZINC000922565530 988696575 /nfs/dbraw/zinc/69/65/75/988696575.db2.gz CRBWQIFYZYZUPR-GOSISDBHSA-N 1 0 364.373 2.748 20 5 FFBDRO Cc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])CC[C@@H]3C2)c(C)c1 ZINC000946589336 988766006 /nfs/dbraw/zinc/76/60/06/988766006.db2.gz SVIPNNKHYKJCMY-IYWMVGAKSA-N 1 0 371.481 2.639 20 5 FFBDRO C[N@@H+]1CCCC[C@@H]1CCOC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000922748265 988864808 /nfs/dbraw/zinc/86/48/08/988864808.db2.gz QVPSERTXLJFFJN-OAHLLOKOSA-N 1 0 358.398 2.812 20 5 FFBDRO Cc1c(C[NH2+][C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)cccc1[N+](=O)[O-] ZINC000763098058 989035018 /nfs/dbraw/zinc/03/50/18/989035018.db2.gz MFVQLDQTSRTEDE-VQTJNVASSA-N 1 0 369.465 2.876 20 5 FFBDRO O=C(N[C@H]1CC[C@H]([NH2+]Cc2cccc(C(F)F)c2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001034645958 990148565 /nfs/dbraw/zinc/14/85/65/990148565.db2.gz XNZYYNXZIJTHAW-KLHDSHLOSA-N 1 0 367.396 2.806 20 5 FFBDRO Cc1ccc(CC[N@@H+]2CCC3(C2)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC3)cc1 ZINC001035186968 990409855 /nfs/dbraw/zinc/40/98/55/990409855.db2.gz NZKGOSPGSJMIBA-RTBURBONSA-N 1 0 371.481 2.517 20 5 FFBDRO COc1cccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2F)[NH+](C)C)c1 ZINC000919680837 990708628 /nfs/dbraw/zinc/70/86/28/990708628.db2.gz RTYBRWOMHLUQPR-QGZVFWFLSA-N 1 0 361.373 2.775 20 5 FFBDRO COc1cccc(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000195418494 990923780 /nfs/dbraw/zinc/92/37/80/990923780.db2.gz JMXHKDDSRSGITL-INIZCTEOSA-N 1 0 369.421 2.998 20 5 FFBDRO C[C@H]1CCC[N@H+](CCCCNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000068085305 991331124 /nfs/dbraw/zinc/33/11/24/991331124.db2.gz JCRPMRWZUWLHJK-ZDUSSCGKSA-N 1 0 364.402 2.745 20 5 FFBDRO CC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[NH+](C/C=C\c2ccccc2)CC1 ZINC001484135710 991407453 /nfs/dbraw/zinc/40/74/53/991407453.db2.gz GBAPFLMIQINRRV-IJKBJJPYSA-N 1 0 357.454 2.583 20 5 FFBDRO NC(=O)c1ccc(C[N@@H+]2CCCC[C@H](C3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000880576016 1015875187 /nfs/dbraw/zinc/87/51/87/1015875187.db2.gz NOQFEIROKYOSLA-INIZCTEOSA-N 1 0 361.442 2.722 20 5 FFBDRO Nc1ccc(OC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1[N+](=O)[O-] ZINC000809994748 994661258 /nfs/dbraw/zinc/66/12/58/994661258.db2.gz FVWRZHVFOKOFKG-QGZVFWFLSA-N 1 0 357.410 2.847 20 5 FFBDRO Cc1cnccc1OC1CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000809995340 994663139 /nfs/dbraw/zinc/66/31/39/994663139.db2.gz PHNOGQSTSBBRNP-SFHVURJKSA-N 1 0 357.410 2.875 20 5 FFBDRO Cc1cccc(N(CC(C)(C)[NH3+])S(=O)(=O)c2ccccc2)c1[N+](=O)[O-] ZINC001170600918 994740641 /nfs/dbraw/zinc/74/06/41/994740641.db2.gz VFOKBRPBMQPDPN-UHFFFAOYSA-N 1 0 363.439 2.836 20 5 FFBDRO O=C(O[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000810842137 994949171 /nfs/dbraw/zinc/94/91/71/994949171.db2.gz SSPORWHEYPVCOI-CJNGLKHVSA-N 1 0 356.382 2.564 20 5 FFBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000811583440 995189051 /nfs/dbraw/zinc/18/90/51/995189051.db2.gz HQXLTBWOPDYMSF-NSHDSACASA-N 1 0 366.418 2.970 20 5 FFBDRO [NH3+]C1CCC(N(c2c[n+]([O-])ccc2[N+](=O)[O-])[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC001170645384 995269897 /nfs/dbraw/zinc/26/98/97/995269897.db2.gz DNGSXVNPIJPKQH-BXNZUYAZSA-N 1 0 368.437 2.861 20 5 FFBDRO Cc1ccc([C@H](CNC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)[NH+](C)C)cc1 ZINC000823997419 996774016 /nfs/dbraw/zinc/77/40/16/996774016.db2.gz CMMZHFLUTLQZGN-KRWDZBQOSA-N 1 0 357.414 2.910 20 5 FFBDRO COCC[N@@H+]1CCN(C(=O)/C=C(/C)c2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC000844948765 998268840 /nfs/dbraw/zinc/26/88/40/998268840.db2.gz GZIVRFMILJVJCD-SQFISAMPSA-N 1 0 361.442 2.567 20 5 FFBDRO CCCCCC[N@H+](C)CC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000731892162 998304259 /nfs/dbraw/zinc/30/42/59/998304259.db2.gz VTOJTYYNSRTUFV-UHFFFAOYSA-N 1 0 362.474 2.756 20 5 FFBDRO Cc1c(C(=O)N2CCC(C[NH+](C)C)CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000733975100 999163138 /nfs/dbraw/zinc/16/31/38/999163138.db2.gz IELMDRFRQWPFMF-UHFFFAOYSA-N 1 0 364.402 2.534 20 5 FFBDRO CCOCCC[N@@H+]1CC[C@H](Nc2nc3ccccn3c2[N+](=O)[O-])[C@H](C)C1 ZINC000734483321 999294952 /nfs/dbraw/zinc/29/49/52/999294952.db2.gz YSZLMUOOXCPPMD-CABCVRRESA-N 1 0 361.446 2.791 20 5 FFBDRO C[C@H]1CCC[N@@H+]1CCNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000742241815 999766017 /nfs/dbraw/zinc/76/60/17/999766017.db2.gz XKIOTIQFGTXVPJ-INIZCTEOSA-N 1 0 363.461 2.755 20 5 FFBDRO CC(C)(C)[N@@H+]1CCCN(c2ccc([N+](=O)[O-])cc2N2CCOC2=O)CC1 ZINC000742397277 999772222 /nfs/dbraw/zinc/77/22/22/999772222.db2.gz FTDQVFYLAOKGCT-UHFFFAOYSA-N 1 0 362.430 2.862 20 5 FFBDRO C[NH+]1CCN(c2ccc(NC(=O)c3cc(F)ccc3[N+](=O)[O-])cc2)CC1 ZINC000745372426 999910853 /nfs/dbraw/zinc/91/08/53/999910853.db2.gz RCXMNLCGNAMQCX-UHFFFAOYSA-N 1 0 358.373 2.738 20 5 FFBDRO CCC(CC)(CC)[NH2+]CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000746477955 999997020 /nfs/dbraw/zinc/99/70/20/999997020.db2.gz KIUZRSNONDWQEV-UHFFFAOYSA-N 1 0 362.474 2.802 20 5 FFBDRO CC(C)(C)OC(=O)N1CCC(C(=[NH2+])N[C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168978071 1000012251 /nfs/dbraw/zinc/01/22/51/1000012251.db2.gz ODFMWJMZCVJSJN-OCCSQVGLSA-N 1 0 354.451 2.646 20 5 FFBDRO COCCN(C)[C@H](C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccc(Cl)cc1 ZINC001169008710 1000015015 /nfs/dbraw/zinc/01/50/15/1000015015.db2.gz UGBZKLHGKUJBRN-JCGIZDLHSA-N 1 0 369.893 2.994 20 5 FFBDRO CC(C)(C)OC(=O)N[C@@]12CCC[C@@H]1C[N@@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169011031 1000015347 /nfs/dbraw/zinc/01/53/47/1000015347.db2.gz HLXXRBZEVGUMBL-ATNYBXOESA-N 1 0 353.463 2.811 20 5 FFBDRO CC(C)(C)OC(=O)N1CCC[C@@H]2C[N@@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@@H]21 ZINC001169010288 1000015411 /nfs/dbraw/zinc/01/54/11/1000015411.db2.gz CFLZMLIHLKPAHY-JJXSEGSLSA-N 1 0 353.463 2.763 20 5 FFBDRO COC(=O)c1ccc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)c(Br)c1 ZINC001168987026 1000015857 /nfs/dbraw/zinc/01/58/57/1000015857.db2.gz HEKNEBUIKHWXNF-GXFFZTMASA-N 1 0 371.231 2.771 20 5 FFBDRO COc1ccc(Cl)cc1N1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169037552 1000016760 /nfs/dbraw/zinc/01/67/60/1000016760.db2.gz SKMIGYVYUVHDAW-DZGCQCFKSA-N 1 0 353.850 2.916 20 5 FFBDRO CC(C)(C)OC(=O)N1CCCCC12C[NH+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169038318 1000016864 /nfs/dbraw/zinc/01/68/64/1000016864.db2.gz YCLNNKMEMXXZBC-GJZGRUSLSA-N 1 0 353.463 2.907 20 5 FFBDRO O=C(c1ccco1)N1CCC2(C1)CC[NH+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169018035 1000017269 /nfs/dbraw/zinc/01/72/69/1000017269.db2.gz BIORDBCFRASNJA-HZPDHXFCSA-N 1 0 361.442 2.653 20 5 FFBDRO O=C1C[C@H](c2ccccc2)C2(CC[NH+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)N1 ZINC001169025235 1000018088 /nfs/dbraw/zinc/01/80/88/1000018088.db2.gz SUXLHPILEKFEPY-KBAYOESNSA-N 1 0 357.454 2.570 20 5 FFBDRO O=C1c2cccc(F)c2CN1[C@@H]1CCC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169056296 1000019047 /nfs/dbraw/zinc/01/90/47/1000019047.db2.gz RGKAVOICKRGZRS-RBSFLKMASA-N 1 0 361.417 2.691 20 5 FFBDRO [NH3+][C@@H](CO)Cc1cncn1-c1cnc2c3ccccc3c3ccccc3c2n1 ZINC001169070828 1000019786 /nfs/dbraw/zinc/01/97/86/1000019786.db2.gz DECKKXNHIKAJSH-CQSZACIVSA-N 1 0 369.428 2.984 20 5 FFBDRO COC(=O)c1ncc([N+](=O)[O-])cc1N[C@@H]1CC(C)(C)C[C@@](C)(C[NH3+])C1 ZINC001169145778 1000027326 /nfs/dbraw/zinc/02/73/26/1000027326.db2.gz HYMZYVJYDANRBF-DIFFPNOSSA-N 1 0 350.419 2.732 20 5 FFBDRO [NH3+]CCc1cn(-c2cc([N+](=O)[O-])cc(Br)n2)c2cccnc12 ZINC001169709011 1000071023 /nfs/dbraw/zinc/07/10/23/1000071023.db2.gz PSFVYKCEODBBQD-UHFFFAOYSA-N 1 0 362.187 2.592 20 5 FFBDRO CCOC(=O)c1cccc([N+](=O)[O-])c1-n1cc(CC[NH3+])c2ncccc21 ZINC001169709770 1000071326 /nfs/dbraw/zinc/07/13/26/1000071326.db2.gz AJJLMTUMTJAMRL-UHFFFAOYSA-N 1 0 354.366 2.612 20 5 FFBDRO CC[N+](C)(C)Cc1ccccc1NCc1ccc(N2CCOCC2)nn1 ZINC001169740525 1000072765 /nfs/dbraw/zinc/07/27/65/1000072765.db2.gz WLCVCFDJQRVSKY-UHFFFAOYSA-N 1 0 356.494 2.522 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@@H](CO)Cc3ccco3)CC2)cc1 ZINC000768842109 1000367567 /nfs/dbraw/zinc/36/75/67/1000367567.db2.gz QEKLUWYYGAZPDT-HNNXBMFYSA-N 1 0 359.426 2.597 20 5 FFBDRO C[N@H+](CCOC(=O)c1cc([N+](=O)[O-])c(F)cc1N)Cc1ccc(F)cc1 ZINC000769117471 1000438605 /nfs/dbraw/zinc/43/86/05/1000438605.db2.gz UNVCGWISRVDAFJ-UHFFFAOYSA-N 1 0 365.336 2.744 20 5 FFBDRO CN(C)c1ccc(NCc2ccccc2N2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC001171284179 1000745002 /nfs/dbraw/zinc/74/50/02/1000745002.db2.gz WABDEJAIIVMEKY-UHFFFAOYSA-N 1 0 355.442 2.683 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CC[C@@H](OCC[NH+]3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000771232607 1001044412 /nfs/dbraw/zinc/04/44/12/1001044412.db2.gz ADANBZFUZDTNLJ-OAHLLOKOSA-N 1 0 364.402 2.584 20 5 FFBDRO O=[N+]([O-])c1c(NCC2CCN(c3cc[nH+]cc3)CC2)nc2ccccn21 ZINC000771716052 1001187646 /nfs/dbraw/zinc/18/76/46/1001187646.db2.gz AIAKWYPIJDUWPU-UHFFFAOYSA-N 1 0 352.398 2.966 20 5 FFBDRO CCc1ccc(C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)cc1[N+](=O)[O-] ZINC000746604096 1001626773 /nfs/dbraw/zinc/62/67/73/1001626773.db2.gz ZLQXJGWERBVMKV-KRWDZBQOSA-N 1 0 361.442 2.530 20 5 FFBDRO O=C(NC1(C[NH2+]Cc2c(F)cccc2F)CCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001276199566 1016524957 /nfs/dbraw/zinc/52/49/57/1016524957.db2.gz ATPYPKADIAUZAJ-MLGOLLRUSA-N 1 0 367.396 2.539 20 5 FFBDRO Cc1ccc([C@@H](O)C[NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000774485436 1001927108 /nfs/dbraw/zinc/92/71/08/1001927108.db2.gz PAHSCHUXUFBPSW-KDOFPFPSSA-N 1 0 357.410 2.944 20 5 FFBDRO COc1ccc(C[NH2+]CCC(=O)Nc2ccc(N(C)C)cc2)cc1[N+](=O)[O-] ZINC000790124701 1002293982 /nfs/dbraw/zinc/29/39/82/1002293982.db2.gz QAYVAJIRMLBIHM-UHFFFAOYSA-N 1 0 372.425 2.788 20 5 FFBDRO COc1c(O)ccc(C[NH2+]C[C@H](O)Cc2cccc(Cl)c2)c1[N+](=O)[O-] ZINC001183641226 1002332907 /nfs/dbraw/zinc/33/29/07/1002332907.db2.gz ALFCBLYYMLUZHE-CQSZACIVSA-N 1 0 366.801 2.656 20 5 FFBDRO CCOC(=O)c1cc([N+](=O)[O-])c(N2CCN(c3ccccn3)CC2)cc1C ZINC001184607532 1002658915 /nfs/dbraw/zinc/65/89/15/1002658915.db2.gz BFMUYXQXHYLPIZ-UHFFFAOYSA-N 1 0 370.409 2.802 20 5 FFBDRO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000791390427 1002685507 /nfs/dbraw/zinc/68/55/07/1002685507.db2.gz GNMCFTHZJXAFLX-UHFFFAOYSA-N 1 0 374.416 2.957 20 5 FFBDRO CCOC(=O)C1(C[NH2+]Cc2cc(OC)c(OC)cc2[N+](=O)[O-])CCCC1 ZINC000792197019 1002940810 /nfs/dbraw/zinc/94/08/10/1002940810.db2.gz ZJSQCGRWHKQLEN-UHFFFAOYSA-N 1 0 366.414 2.825 20 5 FFBDRO O=C(COC(=O)c1ccc2c[nH+]cn2c1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000792546428 1003027887 /nfs/dbraw/zinc/02/78/87/1003027887.db2.gz NDTQLVPALXCEIY-UHFFFAOYSA-N 1 0 374.740 2.691 20 5 FFBDRO CCOC(=O)C1(C[NH2+][C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CCC1 ZINC001170305500 1003094733 /nfs/dbraw/zinc/09/47/33/1003094733.db2.gz LYVKFNNBMWVPJO-ZDUSSCGKSA-N 1 0 350.415 2.857 20 5 FFBDRO COC(=O)[C@H]1CC[C@@H]([NH2+][C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC001170305810 1003094976 /nfs/dbraw/zinc/09/49/76/1003094976.db2.gz QDGNJYMZIDJUPU-NFAWXSAZSA-N 1 0 350.415 2.856 20 5 FFBDRO COc1ccc(C[C@H](C)[NH2+]CCCN2CCCCCC2=O)c([N+](=O)[O-])c1 ZINC001170312152 1003104687 /nfs/dbraw/zinc/10/46/87/1003104687.db2.gz DBSMGUPESMTYSY-HNNXBMFYSA-N 1 0 363.458 2.917 20 5 FFBDRO COc1ccc(C[C@H](CO)[NH2+][C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC001170313981 1003104895 /nfs/dbraw/zinc/10/48/95/1003104895.db2.gz SKAJVSTWPWTDMV-WMLDXEAASA-N 1 0 374.437 2.736 20 5 FFBDRO COC(=O)CC[C@@H]1CC[N@@H+]([C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170352804 1003121838 /nfs/dbraw/zinc/12/18/38/1003121838.db2.gz QQPBAYFSRSSACT-ZIAGYGMSSA-N 1 0 350.415 2.810 20 5 FFBDRO COc1ccc(C[C@@H](C)[N@@H+]2CC[C@H](Oc3nccc(C)n3)C2)c([N+](=O)[O-])c1 ZINC001170356057 1003122449 /nfs/dbraw/zinc/12/24/49/1003122449.db2.gz VIMLCEKHFNDGGJ-PBHICJAKSA-N 1 0 372.425 2.786 20 5 FFBDRO COc1ccc(C[C@H](C)[NH+]2CCC3(CCCC(=O)N3)CC2)c([N+](=O)[O-])c1 ZINC001170342418 1003130355 /nfs/dbraw/zinc/13/03/55/1003130355.db2.gz WLNGCGZBOTZTFY-AWEZNQCLSA-N 1 0 361.442 2.669 20 5 FFBDRO CC1(C)[C@H]([NH2+]Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)[C@H]2CCCO[C@@H]21 ZINC001170386038 1003138952 /nfs/dbraw/zinc/13/89/52/1003138952.db2.gz LXRPJFOWRMPEHJ-WQVCFCJDSA-N 1 0 358.398 2.938 20 5 FFBDRO CC[N@H+](CCNC(=O)OC(C)(C)C)CCOc1cccc([N+](=O)[O-])c1 ZINC001196166622 1003692552 /nfs/dbraw/zinc/69/25/52/1003692552.db2.gz MNSJWVKMVWFBGO-UHFFFAOYSA-N 1 0 353.419 2.820 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+]C1(c2ccc3c(c2)OCCO3)CCCC1 ZINC001192730830 1004248559 /nfs/dbraw/zinc/24/85/59/1004248559.db2.gz MLUHVCWESNCXBG-UHFFFAOYSA-N 1 0 372.425 2.930 20 5 FFBDRO COC(=O)N1CCC[C@H]([C@H](C)[NH2+]CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000775813174 1004466096 /nfs/dbraw/zinc/46/60/96/1004466096.db2.gz USLHBJMWFQKVJE-GJZGRUSLSA-N 1 0 365.430 2.820 20 5 FFBDRO CC(C)OC(=O)C[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)C ZINC001195604108 1004997509 /nfs/dbraw/zinc/99/75/09/1004997509.db2.gz FXSRMSAWSUHJKO-INIZCTEOSA-N 1 0 365.430 2.879 20 5 FFBDRO CCN1C[C@@H](C[N@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)Oc2ccccc21 ZINC000776277789 1005336215 /nfs/dbraw/zinc/33/62/15/1005336215.db2.gz SGYFBKCSWIFCGJ-MJGOQNOKSA-N 1 0 371.437 2.848 20 5 FFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@]12OCCC[C@H]1C2(F)F ZINC000850535484 1005820853 /nfs/dbraw/zinc/82/08/53/1005820853.db2.gz YFTSHPPXGDXELR-XFJVYGCCSA-N 1 0 369.368 2.716 20 5 FFBDRO CC(C)(C)C(=O)NC[C@@H]1CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776582267 1005962667 /nfs/dbraw/zinc/96/26/67/1005962667.db2.gz NPGYJZFWJWALEB-YOEHRIQHSA-N 1 0 363.458 2.503 20 5 FFBDRO C[N@H+](CCc1ccccc1)[C@H]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000852514278 1006061055 /nfs/dbraw/zinc/06/10/55/1006061055.db2.gz DWGUQWLZYQUOCP-SFTDATJTSA-N 1 0 369.465 2.877 20 5 FFBDRO C[N@H+](CCc1ccccc1)[C@@H]1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000852514975 1006061613 /nfs/dbraw/zinc/06/16/13/1006061613.db2.gz NIYWCCYIXXLQLR-NHCUHLMSSA-N 1 0 369.465 2.877 20 5 FFBDRO Cn1cc(C[C@H]2CCC[C@H]2[NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cn1 ZINC000852562029 1006082596 /nfs/dbraw/zinc/08/25/96/1006082596.db2.gz ZKLXIIXGEVRJBP-CZUORRHYSA-N 1 0 359.386 2.738 20 5 FFBDRO C[N@H+](Cc1cn(C[C@H](O)c2cccc([N+](=O)[O-])c2)nn1)C1CCCCC1 ZINC000881411260 1006089816 /nfs/dbraw/zinc/08/98/16/1006089816.db2.gz XYWVRSJKWQNIDD-SFHVURJKSA-N 1 0 359.430 2.684 20 5 FFBDRO COc1cc(C(=O)N2CCN(c3cc[nH+]cc3)[C@H](C)C2)cc([N+](=O)[O-])c1C ZINC000881633515 1006163701 /nfs/dbraw/zinc/16/37/01/1006163701.db2.gz JIRWAQDCFOQZJP-CYBMUJFWSA-N 1 0 370.409 2.658 20 5 FFBDRO C[C@@H]1CN(c2ccc(C(F)F)cc2[N+](=O)[O-])CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000853464646 1006398758 /nfs/dbraw/zinc/39/87/58/1006398758.db2.gz MRLUYRAHUVSIIG-HIFRSBDPSA-N 1 0 368.428 2.995 20 5 FFBDRO CC1([NH+]2CCC2)CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1 ZINC000882497657 1006412491 /nfs/dbraw/zinc/41/24/91/1006412491.db2.gz QDNYRCVRMKDNCA-UHFFFAOYSA-N 1 0 358.442 2.870 20 5 FFBDRO CCO[C@@H]1C[C@H](N(C)Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)C1(C)C ZINC000853498945 1006415448 /nfs/dbraw/zinc/41/54/48/1006415448.db2.gz SKLCGHZBNOFWCB-JKSUJKDBSA-N 1 0 359.430 2.946 20 5 FFBDRO COc1cc(NC2CC[NH+](C3CCOCC3)CC2)c([N+](=O)[O-])cc1OC ZINC000882591510 1006450492 /nfs/dbraw/zinc/45/04/92/1006450492.db2.gz KVFVRJQDGBYICR-UHFFFAOYSA-N 1 0 365.430 2.667 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2ncn(C[N@H+]3C[C@]45COC[C@@]4(C3)CCCC5)n2)c1 ZINC000853624885 1006481868 /nfs/dbraw/zinc/48/18/68/1006481868.db2.gz SOECQIKWDWCTDH-KDURUIRLSA-N 1 0 369.425 2.703 20 5 FFBDRO C[N@@H+]1CCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC12CCCCC2 ZINC000853656184 1006495304 /nfs/dbraw/zinc/49/53/04/1006495304.db2.gz KCRCTUFCNVJJMK-UHFFFAOYSA-N 1 0 358.442 2.934 20 5 FFBDRO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)[C@@H]2C1 ZINC001135059703 1006659722 /nfs/dbraw/zinc/65/97/22/1006659722.db2.gz OGWVPHGZKNTZTA-CUOATXAZSA-N 1 0 357.332 2.684 20 5 FFBDRO COCC(=O)Nc1cccc(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000815556305 1006683136 /nfs/dbraw/zinc/68/31/36/1006683136.db2.gz SFGWZHOTALGBOG-GFCCVEGCSA-N 1 0 358.398 2.613 20 5 FFBDRO C[C@H]([NH2+]Cc1cccc(N2CCOC2=O)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815563049 1006683879 /nfs/dbraw/zinc/68/38/79/1006683879.db2.gz SJYYGQYKISNMQL-LBPRGKRZSA-N 1 0 356.382 2.984 20 5 FFBDRO C[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1ccc2c(c1)CC(=O)N2C ZINC000775352510 1007470335 /nfs/dbraw/zinc/47/03/35/1007470335.db2.gz QAZXCUBDWZUSKH-ZDUSSCGKSA-N 1 0 355.394 2.843 20 5 FFBDRO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000856429529 1007823832 /nfs/dbraw/zinc/82/38/32/1007823832.db2.gz KNZMNAWYOPFVTG-XXTMNZORSA-N 1 0 361.442 2.567 20 5 FFBDRO C[C@H]([NH3+])c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1 ZINC000818524218 1007925181 /nfs/dbraw/zinc/92/51/81/1007925181.db2.gz GQCGOTZLFVIISE-ZDUSSCGKSA-N 1 0 370.409 2.703 20 5 FFBDRO CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819040096 1008016692 /nfs/dbraw/zinc/01/66/92/1008016692.db2.gz VKRWPVXQKYKLOC-CVEARBPZSA-N 1 0 365.430 2.617 20 5 FFBDRO C[N@@H+]1CCCN(c2ccc(NC[C@H](O)c3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC000819410693 1008140969 /nfs/dbraw/zinc/14/09/69/1008140969.db2.gz KAKUEFVNOGFFGM-FQEVSTJZSA-N 1 0 370.453 2.882 20 5 FFBDRO O=[N+]([O-])c1cccc([C@@H](O)CNc2ccc(CC[NH+]3CCOCC3)cc2)c1 ZINC000819422228 1008144359 /nfs/dbraw/zinc/14/43/59/1008144359.db2.gz SSPQHBFRHFLHJP-FQEVSTJZSA-N 1 0 371.437 2.615 20 5 FFBDRO Cc1cc(NC[C@H](O)c2cccc([N+](=O)[O-])c2)ccc1OCC[NH+](C)C ZINC000819491253 1008154984 /nfs/dbraw/zinc/15/49/84/1008154984.db2.gz BELPXMQBRZNWDR-SFHVURJKSA-N 1 0 359.426 2.989 20 5 FFBDRO C[NH+](C)CCOc1ccc(NC[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1F ZINC000819491239 1008155036 /nfs/dbraw/zinc/15/50/36/1008155036.db2.gz ANOYLMRMRGKFIN-KRWDZBQOSA-N 1 0 363.389 2.820 20 5 FFBDRO Cc1ccccc1C[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2N)CC1 ZINC001136284570 1008263770 /nfs/dbraw/zinc/26/37/70/1008263770.db2.gz SYDZQYWAXSGJRY-UHFFFAOYSA-N 1 0 368.437 2.880 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@@H]3CCCN3CC(F)F)CC2)cc1 ZINC000858479544 1008366548 /nfs/dbraw/zinc/36/65/48/1008366548.db2.gz UZUGLXPOJKDCLX-KRWDZBQOSA-N 1 0 368.428 2.883 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000820952367 1008395126 /nfs/dbraw/zinc/39/51/26/1008395126.db2.gz DIPIINUAMYOEGA-MRXNPFEDSA-N 1 0 361.442 2.539 20 5 FFBDRO C[C@@H](CC(=O)O[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1)n1cccn1 ZINC000821172197 1008427023 /nfs/dbraw/zinc/42/70/23/1008427023.db2.gz YZJUQPXHICBIBI-YOEHRIQHSA-N 1 0 358.398 2.560 20 5 FFBDRO C[C@@H]1C[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC[C@@H]1C(=O)OC(C)(C)C ZINC000859613052 1008588734 /nfs/dbraw/zinc/58/87/34/1008588734.db2.gz VZKZAGFPRUOJHC-COXVUDFISA-N 1 0 364.442 2.928 20 5 FFBDRO C[NH+](C)CCN(CCc1ccccc1)C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000822613481 1008694687 /nfs/dbraw/zinc/69/46/87/1008694687.db2.gz QRQZFWGFLRBZKJ-UHFFFAOYSA-N 1 0 359.401 2.980 20 5 FFBDRO COc1cc(C[N@@H+]2CC[C@@]3(CO)CCC[C@@H]23)c([N+](=O)[O-])cc1OC(F)F ZINC000886623895 1008778582 /nfs/dbraw/zinc/77/85/82/1008778582.db2.gz RYEDDWAXYNONSF-NVXWUHKLSA-N 1 0 372.368 2.942 20 5 FFBDRO Cc1nc(C(C)C)oc1C[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001178458810 1008994466 /nfs/dbraw/zinc/99/44/66/1008994466.db2.gz ZNUPNICYMMKYFM-HUUCEWRRSA-N 1 0 366.462 2.538 20 5 FFBDRO COc1cccc([C@@H](CNC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)[NH+](C)C)c1 ZINC000824008554 1009292208 /nfs/dbraw/zinc/29/22/08/1009292208.db2.gz QJUAALGLPSRMQV-QGZVFWFLSA-N 1 0 373.413 2.610 20 5 FFBDRO C[N@@H+]1CCN(CCNC(=O)c2cc([N+](=O)[O-])cc3ccccc32)CC1(C)C ZINC000861526559 1009453245 /nfs/dbraw/zinc/45/32/45/1009453245.db2.gz VPQXCQXZAJHZBJ-UHFFFAOYSA-N 1 0 370.453 2.504 20 5 FFBDRO C[N@@H+]1C[C@@H]2CN(C(=O)c3ccnc(-c4ccccc4)c3[N+](=O)[O-])C[C@]2(C)C1 ZINC000887926299 1009682406 /nfs/dbraw/zinc/68/24/06/1009682406.db2.gz CYBRSUOGOLEPCA-QRWLVFNGSA-N 1 0 366.421 2.681 20 5 FFBDRO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1c(F)cccc1[N+](=O)[O-] ZINC000714037330 1010068888 /nfs/dbraw/zinc/06/88/88/1010068888.db2.gz SDRDASTYCIQCAS-UOIKSKOESA-N 1 0 355.369 2.594 20 5 FFBDRO CN(C)c1cc(F)c(C(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)cc1[N+](=O)[O-] ZINC000863031982 1010085773 /nfs/dbraw/zinc/08/57/73/1010085773.db2.gz KOOMDEYOQKXCAI-CYBMUJFWSA-N 1 0 364.421 2.547 20 5 FFBDRO COc1ccc(CN2CC[C@@H]2C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000863575683 1010261149 /nfs/dbraw/zinc/26/11/49/1010261149.db2.gz QNZIXYNWMWUCHV-QUCCMNQESA-N 1 0 371.437 2.501 20 5 FFBDRO CCO[C@H]1C[C@@H](N(C)Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C12CCC2 ZINC000794632225 1010448019 /nfs/dbraw/zinc/44/80/19/1010448019.db2.gz GQSZZWSTSYOCOK-CABCVRRESA-N 1 0 361.398 2.740 20 5 FFBDRO CC(C)(C)OC(=O)NCCC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000774169202 1010499333 /nfs/dbraw/zinc/49/93/33/1010499333.db2.gz LFVDHPIQZKZHPI-ZIAGYGMSSA-N 1 0 367.450 2.779 20 5 FFBDRO O=[N+]([O-])c1cc(CO)c(N2CC3(C2)C[NH+](Cc2ccccc2)C3)cc1F ZINC000866000518 1010903642 /nfs/dbraw/zinc/90/36/42/1010903642.db2.gz HDUKNHIZYKRHOV-UHFFFAOYSA-N 1 0 357.385 2.548 20 5 FFBDRO CC1([NH+]2CCCC2)CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)CC1 ZINC000866022108 1010908592 /nfs/dbraw/zinc/90/85/92/1010908592.db2.gz ONXYSFZUBKOKBW-UHFFFAOYSA-N 1 0 372.469 2.942 20 5 FFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1CCCc2c1cnn2CCO ZINC000866245138 1010961313 /nfs/dbraw/zinc/96/13/13/1010961313.db2.gz XRLIAFUSIWKOLI-LRDDRELGSA-N 1 0 362.405 2.521 20 5 FFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1ccc2c(c1)C(=O)NCC2 ZINC000866336377 1010979164 /nfs/dbraw/zinc/97/91/64/1010979164.db2.gz DQRYHVSEPMELSY-GFCCVEGCSA-N 1 0 357.385 2.741 20 5 FFBDRO Cc1cc(N2CCC([NH2+][C@H](C)Cc3ccc(F)cc3[N+](=O)[O-])CC2)n[nH]1 ZINC000866345891 1010980846 /nfs/dbraw/zinc/98/08/46/1010980846.db2.gz SLTXMLGJUORTPS-GFCCVEGCSA-N 1 0 361.421 2.955 20 5 FFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H]1CCC2(CCOCC2)[C@@H]1O ZINC000866352912 1010981945 /nfs/dbraw/zinc/98/19/45/1010981945.db2.gz BZHPLUCKRNNWBI-DDUZABMNSA-N 1 0 366.433 2.822 20 5 FFBDRO C[C@@]1([NH3+])CCN(C(=O)c2cc(F)cc3c2[nH]c2ccc(F)cc2c3=O)C1 ZINC000868078833 1011160502 /nfs/dbraw/zinc/16/05/02/1011160502.db2.gz RQOTUKFCZYSOFA-LJQANCHMSA-N 1 0 357.360 2.523 20 5 FFBDRO COC[C@H]1Cn2nccc2C[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172909134 1012074271 /nfs/dbraw/zinc/07/42/71/1012074271.db2.gz GMOSGWVORWQREV-CRAIPNDOSA-N 1 0 370.453 2.817 20 5 FFBDRO O=C1Nc2ccccc2C[C@@H]1[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172900661 1012075238 /nfs/dbraw/zinc/07/52/38/1012075238.db2.gz XRVQPUMDUKUVNB-APWZRJJASA-N 1 0 351.406 2.995 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]C1CCN(c3ncccn3)CC1)CC2 ZINC001172899073 1012075491 /nfs/dbraw/zinc/07/54/91/1012075491.db2.gz LCGZMVFWISYISD-QGZVFWFLSA-N 1 0 367.453 2.891 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1C[C@@H](OCC3CC3)[C@H]3COC[C@H]31)CC2 ZINC001172908126 1012079592 /nfs/dbraw/zinc/07/95/92/1012079592.db2.gz AYXOIYWZMCWSCE-GFOJFJKKSA-N 1 0 372.465 2.968 20 5 FFBDRO NC(=O)[C@H](Cc1ccccc1)[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172895810 1012096391 /nfs/dbraw/zinc/09/63/91/1012096391.db2.gz JDCQMUNVQCCMFX-HKUYNNGSSA-N 1 0 353.422 2.528 20 5 FFBDRO O=C(NC1CC[NH+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1)C1CC1 ZINC001172914477 1012097392 /nfs/dbraw/zinc/09/73/92/1012097392.db2.gz GWWKPXDFNQCOMB-GOSISDBHSA-N 1 0 357.454 2.833 20 5 FFBDRO CC1(C)CN(C2C[NH+]([C@@H]3CCc4ccc([N+](=O)[O-])cc4CC3)C2)CCO1 ZINC001172915981 1012098888 /nfs/dbraw/zinc/09/88/88/1012098888.db2.gz PQXPUTRQYMXOGP-QGZVFWFLSA-N 1 0 359.470 2.637 20 5 FFBDRO C[C@H]1C[N@@H+](C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)CCC[C@H]1O ZINC001173009938 1012179437 /nfs/dbraw/zinc/17/94/37/1012179437.db2.gz KHCVIHFETVZBEJ-YVEFUNNKSA-N 1 0 369.412 2.935 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(N2CCC(n3cnc4c3C[NH2+]CC4)CC2)c(F)c1 ZINC001173009605 1012179843 /nfs/dbraw/zinc/17/98/43/1012179843.db2.gz FGYFNTPPIKHZAC-UHFFFAOYSA-N 1 0 363.368 2.557 20 5 FFBDRO CC(C)(O)C(C)(C)[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173011750 1012181513 /nfs/dbraw/zinc/18/15/13/1012181513.db2.gz IZZQIFYPKSYGAE-UHFFFAOYSA-N 1 0 357.401 2.981 20 5 FFBDRO C[C@H](CN1CCCC1)[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173012507 1012184821 /nfs/dbraw/zinc/18/48/21/1012184821.db2.gz ULKJGNZFEVQVFV-CYBMUJFWSA-N 1 0 368.428 2.916 20 5 FFBDRO [NH3+]CCCc1nccn1C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173013845 1012185010 /nfs/dbraw/zinc/18/50/10/1012185010.db2.gz GLJNWOXIQIONMQ-UHFFFAOYSA-N 1 0 365.384 2.802 20 5 FFBDRO CC[C@H](C)[C@H]([NH2+][C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-])C(=O)N(C)C ZINC001173177343 1012318956 /nfs/dbraw/zinc/31/89/56/1012318956.db2.gz AZUZVJKKMKHXKY-JKDFXYPNSA-N 1 0 369.437 2.766 20 5 FFBDRO CCCCC[C@H]([NH2+][C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-])C(=O)NC ZINC001173176992 1012319524 /nfs/dbraw/zinc/31/95/24/1012319524.db2.gz AQTRBXINPQMMFQ-JSGCOSHPSA-N 1 0 369.437 2.958 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)n2nnc3ccc(C[NH3+])cc32)c1F ZINC001173191575 1012331972 /nfs/dbraw/zinc/33/19/72/1012331972.db2.gz MUNADUPWQGIORL-JTQLQIEISA-N 1 0 359.361 2.750 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C2CCN(CCF)CC2)c1F ZINC001173193017 1012334539 /nfs/dbraw/zinc/33/45/39/1012334539.db2.gz SJJHECHFWFMMMQ-LBPRGKRZSA-N 1 0 357.401 2.697 20 5 FFBDRO COC(=O)C[C@@H]1CCC[N@@H+]1[C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173196554 1012341312 /nfs/dbraw/zinc/34/13/12/1012341312.db2.gz NOQGTXRDUVVQTC-NEPJUHHUSA-N 1 0 354.378 2.701 20 5 FFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1CCN(C(=O)c2ccccn2)CC1 ZINC001173222373 1012353669 /nfs/dbraw/zinc/35/36/69/1012353669.db2.gz WXOCSWRIAWVGLY-HNNXBMFYSA-N 1 0 368.437 2.815 20 5 FFBDRO CC(C)[NH+]1CCN(c2cccc(NC(=O)CCC(C)(C)[N+](=O)[O-])c2)CC1 ZINC000827623273 1018518658 /nfs/dbraw/zinc/51/86/58/1018518658.db2.gz CHHZXQBPMZXLDG-UHFFFAOYSA-N 1 0 362.474 2.991 20 5 FFBDRO CC(C)Oc1cc(C(=O)NCc2cc(N(C)C)cc[nH+]2)ccc1[N+](=O)[O-] ZINC000927695028 1018628621 /nfs/dbraw/zinc/62/86/21/1018628621.db2.gz HKRZWBBQEUNSFN-UHFFFAOYSA-N 1 0 358.398 2.773 20 5 FFBDRO CN(C)c1cc[nH+]c(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)c1 ZINC000927705174 1018631291 /nfs/dbraw/zinc/63/12/91/1018631291.db2.gz CCXGOKVJTCTKKK-UHFFFAOYSA-N 1 0 369.425 2.586 20 5 FFBDRO C[C@@H](NC(=O)c1ccccc1CN1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000928248673 1018908949 /nfs/dbraw/zinc/90/89/49/1018908949.db2.gz LVSWFOKAUCVMER-OAHLLOKOSA-N 1 0 369.421 2.918 20 5 FFBDRO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@](CO)(c3ccccc3)C2)cc1 ZINC000801581070 1019139696 /nfs/dbraw/zinc/13/96/96/1019139696.db2.gz ZKDRURBHKUPHMW-FQEVSTJZSA-N 1 0 356.422 3.000 20 5 FFBDRO CCOC(=O)/C=C/CN(Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000930809326 1020198014 /nfs/dbraw/zinc/19/80/14/1020198014.db2.gz LZHWQVCGEMAKKR-HGQRNUMOSA-N 1 0 362.426 2.820 20 5 FFBDRO Cc1ccc([C@@H](CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)[NH+]2CCCC2)o1 ZINC000725744050 1020251489 /nfs/dbraw/zinc/25/14/89/1020251489.db2.gz HLHNAULIWOUITC-MRXNPFEDSA-N 1 0 358.398 2.645 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2cnn(CN3CC[C@@H]([NH+]4CCCCC4)C3)c2)c1 ZINC000777955583 1020314745 /nfs/dbraw/zinc/31/47/45/1020314745.db2.gz PRYGNKTXAKQBKT-LJQANCHMSA-N 1 0 355.442 2.976 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](OC[C@H]2C[C@@H]3CC[NH2+]C[C@@H]3O2)C(F)(F)F)cc1 ZINC001217916649 1032905626 /nfs/dbraw/zinc/90/56/26/1032905626.db2.gz JSZYJDUHVYINQO-PMOUVXMZSA-N 1 0 360.332 2.982 20 5 FFBDRO C[NH2+][C@H]1C[C@@H](Oc2cc(OC)cc3oc4ccc(OC)c(O)c4c(=O)c23)C1 ZINC001217957384 1032918123 /nfs/dbraw/zinc/91/81/23/1032918123.db2.gz HYUHTELRJNSHGW-KLPPZKSPSA-N 1 0 371.389 2.798 20 5 FFBDRO COc1cc([C@@H](C)[NH2+]CCNC(=O)c2ccccc2F)cc([N+](=O)[O-])c1 ZINC000903075367 1020665708 /nfs/dbraw/zinc/66/57/08/1020665708.db2.gz URVNSCXQLQNXFP-GFCCVEGCSA-N 1 0 361.373 2.823 20 5 FFBDRO CN(C)c1cc[nH+]c(CN[C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)c1 ZINC000903199071 1020735089 /nfs/dbraw/zinc/73/50/89/1020735089.db2.gz SPGMKVQONLZWHV-GOSISDBHSA-N 1 0 366.425 2.669 20 5 FFBDRO COC(=O)c1cc2n(n1)CCC[C@H]2[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000903245186 1020761864 /nfs/dbraw/zinc/76/18/64/1020761864.db2.gz JXMVMRLUCILOCR-GXTWGEPZSA-N 1 0 358.398 2.806 20 5 FFBDRO O=[N+]([O-])c1ccc(F)c(Br)c1O[C@@H]1C[NH2+]CCC[C@@H]1F ZINC001217984414 1032933241 /nfs/dbraw/zinc/93/32/41/1032933241.db2.gz ZPOLHEFXHHCDDE-OIBJUYFYSA-N 1 0 351.147 2.965 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2C[C@H]3CN(c4ccccc4)C[C@H]3C2)c1 ZINC000749686321 1021019981 /nfs/dbraw/zinc/01/99/81/1021019981.db2.gz HNVWGXFIEVZSLK-FUHIMQAGSA-N 1 0 353.422 2.696 20 5 FFBDRO C[C@@H]1CC[NH2+]C[C@H]1Oc1ccc(I)c([N+](=O)[O-])c1 ZINC001218043146 1032967428 /nfs/dbraw/zinc/96/74/28/1032967428.db2.gz FPVWBLUEFXUXSF-PRHODGIISA-N 1 0 362.167 2.576 20 5 FFBDRO C[C@H]1C[C@@H](Oc2ccc(I)cc2[N+](=O)[O-])CC[NH2+]1 ZINC001218061759 1032974809 /nfs/dbraw/zinc/97/48/09/1032974809.db2.gz QKTLMZPOQDYEQG-WPRPVWTQSA-N 1 0 362.167 2.719 20 5 FFBDRO C[C@@H]1C[C@@H](Oc2cc([N+](=O)[O-])ccc2I)CC[NH2+]1 ZINC001218062418 1032975804 /nfs/dbraw/zinc/97/58/04/1032975804.db2.gz UADXBNCUCRUQCS-SCZZXKLOSA-N 1 0 362.167 2.719 20 5 FFBDRO Cc1cccc(NCCNc2ccc([N+](=O)[O-])cc2N2CCOC2=O)n1 ZINC000750171422 1021466987 /nfs/dbraw/zinc/46/69/87/1021466987.db2.gz ICGMPAMGNJNYNG-UHFFFAOYSA-N 1 0 357.370 2.779 20 5 FFBDRO CCc1c(Cl)cc([N+](=O)[O-])c(O[C@@H]2C[C@H]3C[NH2+]CCN3C2)c1Cl ZINC001218104694 1032996289 /nfs/dbraw/zinc/99/62/89/1032996289.db2.gz KDRXSMFTJPEMRY-VHSXEESVSA-N 1 0 360.241 2.889 20 5 FFBDRO O=[N+]([O-])c1ccc(O[C@@H]2CC[C@]23CC[NH2+]C3)cc1I ZINC001218118823 1033005044 /nfs/dbraw/zinc/00/50/44/1033005044.db2.gz QRODBJIEEVWOOU-CHWSQXEVSA-N 1 0 374.178 2.720 20 5 FFBDRO C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC001118638756 1022330598 /nfs/dbraw/zinc/33/05/98/1022330598.db2.gz FYJALPNEFLCLBP-PWSUYJOCSA-N 1 0 355.826 2.825 20 5 FFBDRO Cc1noc(C)c1C[N@H+](C)CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000117335312 1022457219 /nfs/dbraw/zinc/45/72/19/1022457219.db2.gz FIDKPMSBCCONIE-UHFFFAOYSA-N 1 0 360.370 2.630 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC([N@H+]3CCOC[C@H]3C)CC2)c1C ZINC001119473782 1022795708 /nfs/dbraw/zinc/79/57/08/1022795708.db2.gz XICBKVRUAURXMD-CQSZACIVSA-N 1 0 361.442 2.537 20 5 FFBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC001122210594 1023117495 /nfs/dbraw/zinc/11/74/95/1023117495.db2.gz QFWLFUVJOVXTTO-HNNXBMFYSA-N 1 0 374.485 2.903 20 5 FFBDRO C/C(=C\C(=O)N1CCC(OCC[NH+](C)C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000752342251 1023122587 /nfs/dbraw/zinc/12/25/87/1023122587.db2.gz CNVQNXGWFYYWFB-CCEZHUSRSA-N 1 0 361.442 2.567 20 5 FFBDRO C/C(=C\C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000752351275 1023125477 /nfs/dbraw/zinc/12/54/77/1023125477.db2.gz QVWGNPBHXSMXEF-OCKXMSAZSA-N 1 0 373.453 2.758 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC001122314297 1023183661 /nfs/dbraw/zinc/18/36/61/1023183661.db2.gz YNPAVBOVGIMMTQ-YLJYHZDGSA-N 1 0 367.405 2.889 20 5 FFBDRO CCN(C(=O)c1ccc([N+](=O)[O-])cc1Br)C1CC[NH2+]CC1 ZINC001122587008 1023352873 /nfs/dbraw/zinc/35/28/73/1023352873.db2.gz GHPPYNRWKQACIE-UHFFFAOYSA-N 1 0 356.220 2.571 20 5 FFBDRO O=[N+]([O-])c1cccc2ncnc(NC3CC[NH+](C[C@@H]4CCCO4)CC3)c21 ZINC000754014180 1023415651 /nfs/dbraw/zinc/41/56/51/1023415651.db2.gz SNGDMAONGQFJAK-AWEZNQCLSA-N 1 0 357.414 2.593 20 5 FFBDRO COC(=O)c1cc(Br)c(O[C@H]2CC[C@@H](C)[NH2+]C2)c([N+](=O)[O-])c1 ZINC001218395129 1033136699 /nfs/dbraw/zinc/13/66/99/1033136699.db2.gz UEYBDIFKINXJQR-SCZZXKLOSA-N 1 0 373.203 2.663 20 5 FFBDRO CC(C)Cn1c([C@@H](C)[N+](=O)[O-])nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC001122822905 1023495760 /nfs/dbraw/zinc/49/57/60/1023495760.db2.gz JXCQYUCYTDIHJU-OAHLLOKOSA-N 1 0 364.494 2.727 20 5 FFBDRO COc1ccc(C[C@@](C)([NH3+])CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000754674239 1023502573 /nfs/dbraw/zinc/50/25/73/1023502573.db2.gz YCZSUOSIVUCKEC-QGZVFWFLSA-N 1 0 360.370 2.884 20 5 FFBDRO COc1cc(O[C@H]2CC[C@H](C)[NH2+]C2)c2c(c1)oc1c(O)ccc(O)c1c2=O ZINC001218399084 1033138304 /nfs/dbraw/zinc/13/83/04/1033138304.db2.gz NQJGJBMFGWZXDU-QWRGUYRKSA-N 1 0 371.389 2.885 20 5 FFBDRO C[C@H]1C[NH2+]CC[C@@H]1Oc1cc([N+](=O)[O-])ccc1I ZINC001218412848 1033143657 /nfs/dbraw/zinc/14/36/57/1033143657.db2.gz GOYXVZZVZWAJAP-KWQFWETISA-N 1 0 362.167 2.576 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC001123268822 1023715976 /nfs/dbraw/zinc/71/59/76/1023715976.db2.gz UIQDHYDADBXENI-WFASDCNBSA-N 1 0 350.419 2.797 20 5 FFBDRO CCn1c(CN2CCCC2)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001121768544 1023993458 /nfs/dbraw/zinc/99/34/58/1023993458.db2.gz KWPGLOSDCPRILE-UHFFFAOYSA-N 1 0 370.457 2.971 20 5 FFBDRO C[N@@H+]1C[C@@]23CN(C(=O)NCc4ccccc4[N+](=O)[O-])C[C@]2(C1)CCCC3 ZINC001121845657 1024098099 /nfs/dbraw/zinc/09/80/99/1024098099.db2.gz ZDSBSOLYPPLZMS-KDURUIRLSA-N 1 0 358.442 2.612 20 5 FFBDRO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccnc(-c4ccccc4)c3[N+](=O)[O-])[C@H]2C1 ZINC001124004205 1024217415 /nfs/dbraw/zinc/21/74/15/1024217415.db2.gz UWAMOBIPLHOQMG-XIRDDKMYSA-N 1 0 366.421 2.727 20 5 FFBDRO CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])C1 ZINC001122114227 1024347707 /nfs/dbraw/zinc/34/77/07/1024347707.db2.gz GWAZCFVQADFIQC-SFHVURJKSA-N 1 0 351.422 2.890 20 5 FFBDRO C[N@@H+]1CCCC[C@H]1CCOC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000838101762 1026208042 /nfs/dbraw/zinc/20/80/42/1026208042.db2.gz LPAVEIJJGHNDBM-HNNXBMFYSA-N 1 0 358.398 2.812 20 5 FFBDRO COc1cc(C[NH+](C)C)ccc1NC(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC001141936658 1027187951 /nfs/dbraw/zinc/18/79/51/1027187951.db2.gz WGZTZRALAWWMNO-UHFFFAOYSA-N 1 0 361.402 2.764 20 5 FFBDRO Cc1c(Nc2ccc(O[C@@H]3CC[NH2+]C3)nc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001159334476 1027356473 /nfs/dbraw/zinc/35/64/73/1027356473.db2.gz VQBNAURVDJVMBP-CYBMUJFWSA-N 1 0 359.342 2.691 20 5 FFBDRO CN(C)/C=C/c1cc(-n2c(CC[NH3+])cc3ccccc32)ncc1[N+](=O)[O-] ZINC001160126319 1027602067 /nfs/dbraw/zinc/60/20/67/1027602067.db2.gz QCARAZNTUVUDIT-CSKARUKUSA-N 1 0 351.410 2.967 20 5 FFBDRO [NH3+]C[C@@]1(Nc2nc3ccccc3c(Cl)c2[N+](=O)[O-])CN2CCC1CC2 ZINC001160512019 1027732737 /nfs/dbraw/zinc/73/27/37/1027732737.db2.gz RJRIVWHJTNRUFB-QGZVFWFLSA-N 1 0 361.833 2.631 20 5 FFBDRO [NH3+]Cc1cc2ccncc2n1-c1nc(C(F)(F)F)nc(Cl)c1[N+](=O)[O-] ZINC001160961492 1027949707 /nfs/dbraw/zinc/94/97/07/1027949707.db2.gz BUFOFOLODXBXFM-UHFFFAOYSA-N 1 0 372.694 2.855 20 5 FFBDRO CCOc1nc(NC2CC[NH+](CC3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC001161215611 1028071725 /nfs/dbraw/zinc/07/17/25/1028071725.db2.gz WPWADXXZSJVDGM-UHFFFAOYSA-N 1 0 364.446 2.691 20 5 FFBDRO Cc1nc(Cl)nc(NC2(Cc3ccccn3)CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001161491546 1028197299 /nfs/dbraw/zinc/19/72/99/1028197299.db2.gz NDGRGCNCQWHRMJ-UHFFFAOYSA-N 1 0 362.821 2.518 20 5 FFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(CC1)CC[NH+](CCc1ccccc1)CC2 ZINC000957548013 1028324266 /nfs/dbraw/zinc/32/42/66/1028324266.db2.gz WYBVQVSMBNXOFP-RTBURBONSA-N 1 0 371.481 2.599 20 5 FFBDRO CC1(C)C[NH2+]C[C@H](CNc2cc3ccc(Cl)nc3cc2[N+](=O)[O-])O1 ZINC001161957016 1028377704 /nfs/dbraw/zinc/37/77/04/1028377704.db2.gz WCUOHIZKRIYQAB-LLVKDONJSA-N 1 0 350.806 2.975 20 5 FFBDRO CCOC1(OCC)CC[NH2+]C[C@@H]1Nc1ccc2cnccc2c1[N+](=O)[O-] ZINC001162732663 1028638569 /nfs/dbraw/zinc/63/85/69/1028638569.db2.gz GQFJZURDBKKPRE-INIZCTEOSA-N 1 0 360.414 2.686 20 5 FFBDRO O=[N+]([O-])c1ccc(NCC[C@@H]2CCOC23C[NH2+]C3)nc1-c1ccccc1 ZINC001155480403 1028755984 /nfs/dbraw/zinc/75/59/84/1028755984.db2.gz YEXMGECIAWNYET-OAHLLOKOSA-N 1 0 354.410 2.837 20 5 FFBDRO O=[N+]([O-])c1c(Cl)cc(Cl)nc1NC[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001155597332 1028808266 /nfs/dbraw/zinc/80/82/66/1028808266.db2.gz MBAUTPUNLKPMMY-OTYXRUKQSA-N 1 0 361.229 2.867 20 5 FFBDRO O=[N+]([O-])c1c(Cl)cc(Cl)nc1NC[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001155597331 1028809012 /nfs/dbraw/zinc/80/90/12/1028809012.db2.gz MBAUTPUNLKPMMY-LKFCYVNXSA-N 1 0 361.229 2.867 20 5 FFBDRO COc1cccc(N(c2ncc([N+](=O)[O-])cc2[N+](=O)[O-])C2CC[NH2+]CC2)c1 ZINC001155604023 1028812428 /nfs/dbraw/zinc/81/24/28/1028812428.db2.gz ACFXFMZGAVGNOR-UHFFFAOYSA-N 1 0 373.369 2.797 20 5 FFBDRO O=[N+]([O-])c1ccc(N[C@H]2CCO[C@]3(CC[NH2+]C3)C2)nc1-c1ccccc1 ZINC001155635738 1028828435 /nfs/dbraw/zinc/82/84/35/1028828435.db2.gz LBCRYUNOZZZPHG-HNAYVOBHSA-N 1 0 354.410 2.980 20 5 FFBDRO O=[N+]([O-])c1cc(F)cc(Br)c1NC[C@H]1OC[C@H]2C[NH2+]CC[C@H]21 ZINC001163167696 1028829727 /nfs/dbraw/zinc/82/97/27/1028829727.db2.gz QBQWWZUCYWQKMR-ZDSQKVDBSA-N 1 0 374.210 2.533 20 5 FFBDRO O=[N+]([O-])c1cc(F)cc(Br)c1N[C@H]1CCO[C@@]2(CC[NH2+]C2)C1 ZINC001163315600 1028889715 /nfs/dbraw/zinc/88/97/15/1028889715.db2.gz LPCICKNDXYBOAC-HZMBPMFUSA-N 1 0 374.210 2.819 20 5 FFBDRO O=[N+]([O-])c1ccc(Oc2ncc(N[C@@H]3CCO[C@@]4(CC[NH2+]C4)C3)cn2)cc1 ZINC001163322211 1028893058 /nfs/dbraw/zinc/89/30/58/1028893058.db2.gz GYXHADHQNFESIP-ACJLOTCBSA-N 1 0 371.397 2.500 20 5 FFBDRO COC(=O)c1ccc([C@@H]([NH3+])CNc2ccc([N+](=O)[O-])c(OC(C)C)n2)cc1 ZINC001163466267 1028936757 /nfs/dbraw/zinc/93/67/57/1028936757.db2.gz LJCDIUPNCIDSNH-AWEZNQCLSA-N 1 0 374.397 2.676 20 5 FFBDRO COc1ccc2c(c1)c(C1CC[NH2+]CC1)cn2-c1cc(N)c([N+](=O)[O-])cn1 ZINC001156018632 1029014985 /nfs/dbraw/zinc/01/49/85/1029014985.db2.gz JPRKVNURCLTDIF-UHFFFAOYSA-N 1 0 367.409 2.992 20 5 FFBDRO C[NH2+]C1CN(c2nc(-c3ccc(C)c([N+](=O)[O-])c3)nc3sccc32)C1 ZINC001163706737 1029033383 /nfs/dbraw/zinc/03/33/83/1029033383.db2.gz YYRDAPBLGIXYTD-UHFFFAOYSA-N 1 0 355.423 2.983 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CCCCCO)CC2)nc1-c1ccccc1 ZINC001163831302 1029082311 /nfs/dbraw/zinc/08/23/11/1029082311.db2.gz NXHDALDLNOGZKM-UHFFFAOYSA-N 1 0 370.453 2.941 20 5 FFBDRO O=[N+]([O-])c1cnc(NCCCOc2ccc(Cl)cc2)nc1C1C[NH2+]C1 ZINC001156197040 1029085547 /nfs/dbraw/zinc/08/55/47/1029085547.db2.gz ONMUILOQSRHFDJ-UHFFFAOYSA-N 1 0 363.805 2.606 20 5 FFBDRO Nc1cc([N+](=O)[O-])cnc1N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001156316648 1029140992 /nfs/dbraw/zinc/14/09/92/1029140992.db2.gz HIXCKAVUGPEHOW-QILLFSRXSA-N 1 0 353.426 2.895 20 5 FFBDRO O=[N+]([O-])c1cc2c(cc1NCCc1nc(-c3ccccc3)no1)C[NH2+]C2 ZINC001164100961 1029174258 /nfs/dbraw/zinc/17/42/58/1029174258.db2.gz KMBZJHICBJFWKF-UHFFFAOYSA-N 1 0 351.366 2.903 20 5 FFBDRO CN1CCC(CNc2ncc(F)c3cc([N+](=O)[O-])ccc32)([NH+](C)C)CC1 ZINC001164211041 1029202059 /nfs/dbraw/zinc/20/20/59/1029202059.db2.gz LBXGSGWCWBVZMD-UHFFFAOYSA-N 1 0 361.421 2.720 20 5 FFBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N(Cc2ccccc2)C2(C[NH3+])COC2)n1 ZINC001156632028 1029279565 /nfs/dbraw/zinc/27/95/65/1029279565.db2.gz JVNKUXJJOTVGCN-UHFFFAOYSA-N 1 0 362.817 2.686 20 5 FFBDRO O=C(NCCC1(C[NH2+]Cc2ccc3ccccc3c2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001164494553 1029296977 /nfs/dbraw/zinc/29/69/77/1029296977.db2.gz LXOMSEKAMNUSMW-RTBURBONSA-N 1 0 367.449 2.881 20 5 FFBDRO O=[N+]([O-])c1cnc(Cl)nc1N1C[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC001165086691 1029374604 /nfs/dbraw/zinc/37/46/04/1029374604.db2.gz OAJMABLYWAEDDP-HIFRSBDPSA-N 1 0 359.817 2.749 20 5 FFBDRO Cc1cc(N(CC[NH3+])c2cccnc2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001158001887 1029707193 /nfs/dbraw/zinc/70/71/93/1029707193.db2.gz UFPZUNJEMVQFMN-UHFFFAOYSA-N 1 0 350.382 2.852 20 5 FFBDRO [NH3+]Cc1cccc2c1cnn2-c1nc(C(F)(F)F)nc(Cl)c1[N+](=O)[O-] ZINC001158312782 1029794397 /nfs/dbraw/zinc/79/43/97/1029794397.db2.gz OKZKNRZVVKUKLZ-UHFFFAOYSA-N 1 0 372.694 2.855 20 5 FFBDRO COc1cc(N(c2nccc(Cl)c2[N+](=O)[O-])C2CC[NH2+]CC2)ccn1 ZINC001158325312 1029798229 /nfs/dbraw/zinc/79/82/29/1029798229.db2.gz PXRVAHSSSSPDKE-UHFFFAOYSA-N 1 0 363.805 2.937 20 5 FFBDRO COC(=O)c1cnc(N(C2CCCC2)C2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC001158487815 1029839816 /nfs/dbraw/zinc/83/98/16/1029839816.db2.gz DNJRDWWXZMINCG-UHFFFAOYSA-N 1 0 362.430 2.620 20 5 FFBDRO Cc1ccc([C@@H](C)[NH2+]CC(C)(C)[C@H]2COCC23OCCO3)cc1[N+](=O)[O-] ZINC000840800579 1029885856 /nfs/dbraw/zinc/88/58/56/1029885856.db2.gz FKVZNYBXGIVJLX-RHSMWYFYSA-N 1 0 364.442 2.970 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1COC3(CCOCC3)O1)CCCC2 ZINC000841754376 1030446682 /nfs/dbraw/zinc/44/66/82/1030446682.db2.gz QBBSHFQOJFRDLJ-SJLPKXTDSA-N 1 0 362.426 2.874 20 5 FFBDRO Cc1ccc(NCCCNC(=O)N(C)C2CCC([NH3+])CC2)c([N+](=O)[O-])c1 ZINC000841830910 1030493848 /nfs/dbraw/zinc/49/38/48/1030493848.db2.gz PGRXONIMAAUIEZ-UHFFFAOYSA-N 1 0 363.462 2.617 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])c(N2c3ccccc3C(=O)NC23CC[NH2+]CC3)n1 ZINC001166810146 1030528369 /nfs/dbraw/zinc/52/83/69/1030528369.db2.gz VPRUSIYGVRPLCK-UHFFFAOYSA-N 1 0 367.409 2.568 20 5 FFBDRO [NH3+]CCc1ccc(CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000841928222 1030548426 /nfs/dbraw/zinc/54/84/26/1030548426.db2.gz ONQLMUJJWONPAP-UHFFFAOYSA-N 1 0 368.437 2.970 20 5 FFBDRO C[C@H]1CC2(C[N@@H+]1Cn1cc([N+](=O)[O-])c(-c3ccncc3)n1)CCOCC2 ZINC000842637986 1030866506 /nfs/dbraw/zinc/86/65/06/1030866506.db2.gz HMGUKYRTJKOTEZ-AWEZNQCLSA-N 1 0 357.414 2.702 20 5 FFBDRO O=c1[nH]c2cccc(C[N@H+]3CC[C@H](Nc4ccc([N+](=O)[O-])cn4)C3)c2o1 ZINC001204305418 1031219684 /nfs/dbraw/zinc/21/96/84/1031219684.db2.gz BSXUYJDIVAXPBI-LBPRGKRZSA-N 1 0 355.354 2.523 20 5 FFBDRO Cc1c([N+](=O)[O-])cc(C(=O)N(CCC[NH3+])Cc2ccccc2)cc1[N+](=O)[O-] ZINC000843472629 1031419042 /nfs/dbraw/zinc/41/90/42/1031419042.db2.gz BKMVCQXXTYRKOH-UHFFFAOYSA-N 1 0 372.381 2.803 20 5 FFBDRO CNc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3cccc(C)c3)C2)cc1[N+](=O)[O-] ZINC001149840500 1031605524 /nfs/dbraw/zinc/60/55/24/1031605524.db2.gz YEHCRRSJKMZUCT-KRWDZBQOSA-N 1 0 368.437 2.949 20 5 FFBDRO O=C(NCC1([NH2+]C/C=C/c2ccccc2)CCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001115529414 1031787402 /nfs/dbraw/zinc/78/74/02/1031787402.db2.gz RAXUOBLKIGOENF-CVRCPQJVSA-N 1 0 357.454 2.774 20 5 FFBDRO COC(=O)[C@H](OC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1[N+](=O)[O-] ZINC001223644551 1033534268 /nfs/dbraw/zinc/53/42/68/1033534268.db2.gz WAGDHYFZALRGTK-GOSISDBHSA-N 1 0 371.393 2.890 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1CO[C@H]1CC[C@H]([NH+]2CCOCC2)CC1 ZINC001223942869 1033654568 /nfs/dbraw/zinc/65/45/68/1033654568.db2.gz DUYQVFMFGRPKCC-JCNLHEQBSA-N 1 0 350.415 2.763 20 5 FFBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)NCCC3CC=CC3)c2)CC1 ZINC001220189141 1034033532 /nfs/dbraw/zinc/03/35/32/1034033532.db2.gz PDVMNWYHBAZCBY-UHFFFAOYSA-N 1 0 373.457 2.824 20 5 FFBDRO O=c1cc[nH]c(O[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1[N+](=O)[O-] ZINC001225664527 1034358653 /nfs/dbraw/zinc/35/86/53/1034358653.db2.gz QCENFWHHGIUHTC-YQQAZPJKSA-N 1 0 355.394 2.985 20 5 FFBDRO O=[N+]([O-])c1cccc(O)c1OC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001226334006 1034632741 /nfs/dbraw/zinc/63/27/41/1034632741.db2.gz QHBVXFNJFOBDGU-INIZCTEOSA-N 1 0 358.394 2.970 20 5 FFBDRO COC(=O)c1cc(O[C@H]2CC[C@H]([NH+](C)C)CC2)c(OC)cc1[N+](=O)[O-] ZINC001226440580 1034685909 /nfs/dbraw/zinc/68/59/09/1034685909.db2.gz WYJREIWUDVOAMP-HAQNSBGRSA-N 1 0 352.387 2.642 20 5 FFBDRO COC(=O)C1=C[C@H](Oc2cccc([N+](=O)[O-])c2)C[N@H+](Cc2ccccc2)C1 ZINC001226768832 1034829672 /nfs/dbraw/zinc/82/96/72/1034829672.db2.gz UDAPOTMIAXIQFZ-IBGZPJMESA-N 1 0 368.389 2.957 20 5 FFBDRO Cc1cnc(O[C@H](C)[C@@H]2CN(Cc3ccccc3)CCO2)c([N+](=O)[O-])c1 ZINC001227236013 1034981148 /nfs/dbraw/zinc/98/11/48/1034981148.db2.gz BEGRTOFDDXSIPR-QAPCUYQASA-N 1 0 357.410 2.967 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])c(O[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1[O-] ZINC001228809488 1036335349 /nfs/dbraw/zinc/33/53/49/1036335349.db2.gz GHAUNSSUBWTSGR-CQSZACIVSA-N 1 0 372.377 2.740 20 5 FFBDRO COC(=O)c1cnc(OC2CCN(c3ccc(C)cn3)CC2)c([N+](=O)[O-])c1 ZINC001233866719 1036796678 /nfs/dbraw/zinc/79/66/78/1036796678.db2.gz POUYMSYAJPVNJV-UHFFFAOYSA-N 1 0 372.381 2.528 20 5 FFBDRO COc1cc(N2CCC([N@@H+]3CCC[C@@H](O)[C@@H](C)C3)CC2)ccc1[N+](=O)[O-] ZINC001256093261 1038380468 /nfs/dbraw/zinc/38/04/68/1038380468.db2.gz JAFGXVLEWZGMHG-KBXCAEBGSA-N 1 0 363.458 2.665 20 5 FFBDRO COc1cc(N2CCC(Nc3ccc(C[NH3+])nc3)CC2)ccc1[N+](=O)[O-] ZINC001256103813 1038386068 /nfs/dbraw/zinc/38/60/68/1038386068.db2.gz ZTODLTSLGLQOEJ-UHFFFAOYSA-N 1 0 357.414 2.538 20 5 FFBDRO C[C@H]([NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C(=O)NCC(F)(F)F ZINC001256194657 1038426693 /nfs/dbraw/zinc/42/66/93/1038426693.db2.gz RIQACVABOXYKCL-TVQRCGJNSA-N 1 0 359.348 2.974 20 5 FFBDRO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1Br ZINC001251758674 1039291352 /nfs/dbraw/zinc/29/13/52/1039291352.db2.gz WTLYRQJWGZYNOO-UONOGXRCSA-N 1 0 370.247 2.960 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CCC[C@]3(CCC[NH2+]3)C2)c1F ZINC001246615624 1039416612 /nfs/dbraw/zinc/41/66/12/1039416612.db2.gz CXXREVWHYWHQGT-SCLBCKFNSA-N 1 0 351.422 2.892 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CCCC[C@@]23CC[NH2+]C3)c1F ZINC001246645274 1039427124 /nfs/dbraw/zinc/42/71/24/1039427124.db2.gz UQYWHTWFBRYEGT-UGSOOPFHSA-N 1 0 351.422 2.892 20 5 FFBDRO CCN(C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1)[C@H]1CCC[NH2+]C1 ZINC001246854254 1039505582 /nfs/dbraw/zinc/50/55/82/1039505582.db2.gz NYRLCXQBVHUEKY-AWEZNQCLSA-N 1 0 368.428 2.916 20 5 FFBDRO Cn1ncc2cc(-c3noc(C[C@@H]([NH3+])c4cccc([N+](=O)[O-])c4)n3)ccc21 ZINC001249279211 1040663802 /nfs/dbraw/zinc/66/38/02/1040663802.db2.gz VLCDSRDKNDTLQY-OAHLLOKOSA-N 1 0 364.365 2.774 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CCCC[C@@](O)(CF)C3)CC2)cc1 ZINC001254474089 1040738438 /nfs/dbraw/zinc/73/84/38/1040738438.db2.gz LOBOCGUKIFLBOZ-GOSISDBHSA-N 1 0 351.422 2.750 20 5 FFBDRO COC(=O)[C@@H]1CC[C@@H](C)[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254473858 1040740444 /nfs/dbraw/zinc/74/04/44/1040740444.db2.gz IPFRDRVPMWQSFN-HUUCEWRRSA-N 1 0 361.442 2.837 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001254532057 1040783525 /nfs/dbraw/zinc/78/35/25/1040783525.db2.gz JIUIZPMVSKDSGE-JJAZEVLHSA-N 1 0 361.442 2.981 20 5 FFBDRO CCOC(=O)[C@@]12CCO[C@@H]1CC[N@@H+]([C@@H](C)Cc1ccccc1[N+](=O)[O-])C2 ZINC001254551445 1040791727 /nfs/dbraw/zinc/79/17/27/1040791727.db2.gz BCJLPCKNZFSUFU-POZUXBRTSA-N 1 0 362.426 2.570 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)OC(C)(C)C ZINC001254551513 1040793397 /nfs/dbraw/zinc/79/33/97/1040793397.db2.gz CMZMNSIBRJEHRP-MKVSYHDVSA-N 1 0 361.442 2.981 20 5 FFBDRO CC(C)(C)OC(=O)N[C@H]1C[C@H](C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254567922 1040806069 /nfs/dbraw/zinc/80/60/69/1040806069.db2.gz QTRVJARPPIYSEB-RCBQFDQVSA-N 1 0 361.442 2.955 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]Cc1cccc(CN3CCOCC3)c1)C2 ZINC001254573051 1040809614 /nfs/dbraw/zinc/80/96/14/1040809614.db2.gz WAMIBVVGMRHASI-HXUWFJFHSA-N 1 0 367.449 2.684 20 5 FFBDRO O=C(C1CCCCC1)N1CC[C@H]([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254585122 1040816128 /nfs/dbraw/zinc/81/61/28/1040816128.db2.gz KNXOJVDPMPPFMM-ZWKOTPCHSA-N 1 0 357.454 2.833 20 5 FFBDRO O=C(c1ccccc1)N1CC[C@@H]([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254584355 1040817102 /nfs/dbraw/zinc/81/71/02/1040817102.db2.gz HIZMUGVRRFFHDO-QZTJIDSGSA-N 1 0 351.406 2.566 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]CC1(c3ccncc3)CCOCC1)C2 ZINC001254586899 1040818453 /nfs/dbraw/zinc/81/84/53/1040818453.db2.gz MMHOTNSRDXNLRA-SFHVURJKSA-N 1 0 353.422 2.795 20 5 FFBDRO O=C1NCCCN1c1ccc(C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC001254587264 1040818815 /nfs/dbraw/zinc/81/88/15/1040818815.db2.gz OKNXGAOSKPBQFA-QGZVFWFLSA-N 1 0 366.421 2.772 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]Cc1cc(OCC(F)(F)F)ncn1)C2 ZINC001254588213 1040819452 /nfs/dbraw/zinc/81/94/52/1040819452.db2.gz WOWAIYVPCLBUGO-GFCCVEGCSA-N 1 0 368.315 2.583 20 5 FFBDRO COc1ccc2c(c1)C[C@@H](C[NH2+][C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)CO2 ZINC001254588272 1040819742 /nfs/dbraw/zinc/81/97/42/1040819742.db2.gz XKBVDFGQVHXDJC-SUMWQHHRSA-N 1 0 354.406 2.912 20 5 FFBDRO CCOCc1ncn2c1C[N@@H+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)CCC2 ZINC001254596585 1040824302 /nfs/dbraw/zinc/82/43/02/1040824302.db2.gz PDWJQUGQOMNQHD-KRWDZBQOSA-N 1 0 356.426 2.701 20 5 FFBDRO COC(=O)[C@H](Cc1ccccc1)N(C)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254609254 1040837439 /nfs/dbraw/zinc/83/74/39/1040837439.db2.gz UPXSACGAYLGXFU-OALUTQOASA-N 1 0 354.406 2.778 20 5 FFBDRO COc1ccc(-c2nc(-c3ccc(C[NH+](C)C)cc3)no2)nc1[N+](=O)[O-] ZINC001213854318 1041000514 /nfs/dbraw/zinc/00/05/14/1041000514.db2.gz AJIMHXMNQMNATD-UHFFFAOYSA-N 1 0 355.354 2.777 20 5 FFBDRO Cn1c2ccccc2c(N2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)c([N+](=O)[O-])c1=O ZINC001262377546 1041665637 /nfs/dbraw/zinc/66/56/37/1041665637.db2.gz YINFRMYTFFISSL-RRFJBIMHSA-N 1 0 370.453 2.613 20 5 FFBDRO CCn1c([C@@H](C)[N+](=O)[O-])nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001263020932 1042039265 /nfs/dbraw/zinc/03/92/65/1042039265.db2.gz GVRVSUZCOKDFCK-CVEARBPZSA-N 1 0 364.494 2.584 20 5 FFBDRO COc1cc(C)c([N+](=O)[O-])cc1-c1nc(-c2ccc3c(n2)CC[NH2+]C3)no1 ZINC001216953712 1042170078 /nfs/dbraw/zinc/17/00/78/1042170078.db2.gz WZJHUCLMFZKWIE-UHFFFAOYSA-N 1 0 367.365 2.670 20 5 FFBDRO CCOc1cc(NC(=O)N2CCN(c3cc[nH+]cc3)CC2)ccc1[N+](=O)[O-] ZINC001310946953 1043770089 /nfs/dbraw/zinc/77/00/89/1043770089.db2.gz SWGJPOAXKNOLCZ-UHFFFAOYSA-N 1 0 371.397 2.743 20 5 FFBDRO C[N@@H+]1CC[C@@H](NC(=O)CNc2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(F)cc1 ZINC001319485171 1045167427 /nfs/dbraw/zinc/16/74/27/1045167427.db2.gz LVSGIQFSJCEXFZ-APWZRJJASA-N 1 0 372.400 2.707 20 5 FFBDRO Cc1ccc2ccccc2c1C[N@@H+](C)CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001319999134 1045323183 /nfs/dbraw/zinc/32/31/83/1045323183.db2.gz AWNFZEFSGCDBFB-IEBWSBKVSA-N 1 0 355.438 2.704 20 5 FFBDRO CS[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2Br)C[C@@H]1[NH+](C)C ZINC001320533529 1045425138 /nfs/dbraw/zinc/42/51/38/1045425138.db2.gz MCDMGVCPGOKASQ-KBPBESRZSA-N 1 0 374.304 2.835 20 5 FFBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]C[C@H](CO)CC2CCOCC2)c1 ZINC001320934975 1045497716 /nfs/dbraw/zinc/49/77/16/1045497716.db2.gz NARVXHRFUBSAPG-CYBMUJFWSA-N 1 0 374.384 2.711 20 5 FFBDRO COC(=O)CC(C)(C)[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC001324315475 1045966416 /nfs/dbraw/zinc/96/64/16/1045966416.db2.gz ZQHLFEIRVWLPQD-UHFFFAOYSA-N 1 0 351.403 2.505 20 5 FFBDRO COC(=O)c1cc(NC(=O)c2ccc3c[nH+]cn3c2C)c(C)c([N+](=O)[O-])c1 ZINC001326320217 1046872335 /nfs/dbraw/zinc/87/23/35/1046872335.db2.gz WXKZPHQBGRQBIQ-UHFFFAOYSA-N 1 0 368.349 2.898 20 5 FFBDRO CC[NH+](CC)C1CCN(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)CC1 ZINC001331326373 1047866890 /nfs/dbraw/zinc/86/68/90/1047866890.db2.gz CKWUOCHJUZQTKM-UHFFFAOYSA-N 1 0 369.487 2.707 20 5 FFBDRO CS[C@H]1CN(c2ncnc3c(Cl)cc([N+](=O)[O-])cc32)C[C@@H]1[NH+](C)C ZINC001327662493 1047987681 /nfs/dbraw/zinc/98/76/81/1047987681.db2.gz ZDMUIOHNGUAVST-STQMWFEESA-N 1 0 367.862 2.673 20 5 FFBDRO CCN1CC[NH+](C[C@@H](C)CNc2ncc([N+](=O)[O-])c3ccccc32)CC1 ZINC001331535493 1047990007 /nfs/dbraw/zinc/99/00/07/1047990007.db2.gz GWATXKDHEQRAOB-HNNXBMFYSA-N 1 0 357.458 2.829 20 5 FFBDRO C[NH+](C)CC(C)(C)C1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC001332126766 1048259606 /nfs/dbraw/zinc/25/96/06/1048259606.db2.gz DLIIMJCRLZYIAD-UHFFFAOYSA-N 1 0 366.437 2.756 20 5 FFBDRO O=C(CN1CCCC2(CC[NH2+]CC2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC001332425192 1048391014 /nfs/dbraw/zinc/39/10/14/1048391014.db2.gz XABIQUXWCCDOSC-UHFFFAOYSA-N 1 0 366.849 2.652 20 5 FFBDRO COC(=O)CC1CC([NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC001332672575 1048500543 /nfs/dbraw/zinc/50/05/43/1048500543.db2.gz ANZHHCGZCIDQBT-UHFFFAOYSA-N 1 0 357.204 2.789 20 5 FFBDRO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC001332911453 1048618006 /nfs/dbraw/zinc/61/80/06/1048618006.db2.gz JDZPKTIYFWELES-QWHCGFSZSA-N 1 0 351.834 2.924 20 5 FFBDRO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001333160114 1048737283 /nfs/dbraw/zinc/73/72/83/1048737283.db2.gz UHBYEPDVZJWMRB-ZDUSSCGKSA-N 1 0 351.834 2.878 20 5 FFBDRO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC001333311241 1048828012 /nfs/dbraw/zinc/82/80/12/1048828012.db2.gz GITLHQGWESPQCH-ZBFHGGJFSA-N 1 0 351.834 2.924 20 5 FFBDRO COC(=O)c1cc(N2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)cc(C)c1[N+](=O)[O-] ZINC001333824753 1049133909 /nfs/dbraw/zinc/13/39/09/1049133909.db2.gz CGDJPCFNYBRWDW-KKUMJFAQSA-N 1 0 361.442 2.856 20 5 FFBDRO CN(CCCN1CC[NH+](C)CC1)c1cccc(C(F)(F)F)c1[N+](=O)[O-] ZINC001333897297 1049162364 /nfs/dbraw/zinc/16/23/64/1049162364.db2.gz HZRRJFQBJYHFOX-UHFFFAOYSA-N 1 0 360.380 2.687 20 5 FFBDRO CCC[N@H+](CC)C[C@@H](C)NS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC001475349099 1049162966 /nfs/dbraw/zinc/16/29/66/1049162966.db2.gz UGHQTHWDEQXINX-CYBMUJFWSA-N 1 0 357.476 2.610 20 5 FFBDRO CC[NH+](CC)C1CCN(c2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])CC1 ZINC001334126929 1049263920 /nfs/dbraw/zinc/26/39/20/1049263920.db2.gz ULPMOXKQYPWEDX-UHFFFAOYSA-N 1 0 358.442 2.757 20 5 FFBDRO O=C(NCC1CC[NH+](CC2CC2)CC1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001330781531 1049325988 /nfs/dbraw/zinc/32/59/88/1049325988.db2.gz YMXAJHHPCRITEY-UHFFFAOYSA-N 1 0 372.469 2.785 20 5 FFBDRO CC1(C)[C@H](NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])[C@@H]2CCC[NH2+][C@H]21 ZINC001330916937 1049391603 /nfs/dbraw/zinc/39/16/03/1049391603.db2.gz ILFASFLDDPEAIU-UHNFBRDESA-N 1 0 369.824 2.823 20 5 FFBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001294072199 1049680345 /nfs/dbraw/zinc/68/03/45/1049680345.db2.gz NPDFBERVQVFYGO-AWEZNQCLSA-N 1 0 353.850 2.981 20 5 FFBDRO CC(C)[N@@H+]1CCC[C@H](NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC001296127553 1050027214 /nfs/dbraw/zinc/02/72/14/1050027214.db2.gz PXDUFTHJAOBMBH-KRWDZBQOSA-N 1 0 374.485 2.800 20 5 FFBDRO C[C@@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001301482970 1050903311 /nfs/dbraw/zinc/90/33/11/1050903311.db2.gz RAZPSERHTONAJC-LRDDRELGSA-N 1 0 364.402 2.695 20 5 FFBDRO Cc1cccc(C[N@@H+]2CC[C@H](NC(=O)Cc3cccc([N+](=O)[O-])c3)C2)c1 ZINC001301781738 1050981365 /nfs/dbraw/zinc/98/13/65/1050981365.db2.gz GYXDKEMSWCEWRH-SFHVURJKSA-N 1 0 353.422 2.836 20 5 FFBDRO Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)COc3ccccc3[N+](=O)[O-])C2)cc1 ZINC001302725271 1051184774 /nfs/dbraw/zinc/18/47/74/1051184774.db2.gz RWIWFICDJPBEAV-KRWDZBQOSA-N 1 0 369.421 2.673 20 5 FFBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001342726859 1051343851 /nfs/dbraw/zinc/34/38/51/1051343851.db2.gz HSSBDNPPFCMFNM-QGZVFWFLSA-N 1 0 367.833 2.762 20 5 FFBDRO O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCCC[C@@]12CCOC2 ZINC001341014565 1051351009 /nfs/dbraw/zinc/35/10/09/1051351009.db2.gz HWNDZGWMUGOACE-SFHVURJKSA-N 1 0 356.382 2.566 20 5 FFBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NC[C@H]1CCC[NH2+]CC1 ZINC001342858844 1051467869 /nfs/dbraw/zinc/46/78/69/1051467869.db2.gz PEQDALKEZFQGKR-NSHDSACASA-N 1 0 357.863 2.846 20 5 FFBDRO O=C(N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC001342982522 1051598151 /nfs/dbraw/zinc/59/81/51/1051598151.db2.gz MMDPYKAGVKEVTJ-BEFAXECRSA-N 1 0 353.378 2.581 20 5 FFBDRO CC(C)Cn1c([C@@H](C)[N+](=O)[O-])nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001342992933 1051608920 /nfs/dbraw/zinc/60/89/20/1051608920.db2.gz JGLBWKSEIQCVKD-HZPDHXFCSA-N 1 0 364.494 2.584 20 5 FFBDRO C[C@@H]1CCC[N@@H+]1CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCC1 ZINC001305057852 1051793352 /nfs/dbraw/zinc/79/33/52/1051793352.db2.gz DGNNUBHPGFCJFP-OAHLLOKOSA-N 1 0 370.457 2.938 20 5 FFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C1CC2(C1)C[C@@H]([NH3+])CCO2 ZINC001341492220 1051846657 /nfs/dbraw/zinc/84/66/57/1051846657.db2.gz CDZNHAHXAAMJCV-WUJZJPHMSA-N 1 0 361.442 2.618 20 5 FFBDRO C[NH2+][C@@H](CNC(=O)CCc1cc(F)ccc1[N+](=O)[O-])Cc1ccccc1 ZINC001344846465 1052058695 /nfs/dbraw/zinc/05/86/95/1052058695.db2.gz MVXNKVWFTMQTKD-QGZVFWFLSA-N 1 0 359.401 2.613 20 5 FFBDRO COc1ccc(NC(=O)NCC(C)(C)C[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC001345074275 1052240803 /nfs/dbraw/zinc/24/08/03/1052240803.db2.gz JJINHWMYLUVXRM-UHFFFAOYSA-N 1 0 350.419 2.847 20 5 FFBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)CC[N@@H+]1C1CCCC1 ZINC001307210656 1052268568 /nfs/dbraw/zinc/26/85/68/1052268568.db2.gz UFPGRWWTDFDKRM-CQSZACIVSA-N 1 0 372.469 2.940 20 5 FFBDRO COC(=O)c1cc(C)nc(N2CCC(c3[nH]c(C)c(C)[nH+]3)CC2)c1[N+](=O)[O-] ZINC001307211284 1052268717 /nfs/dbraw/zinc/26/87/17/1052268717.db2.gz WSWVDUYEMCHWLM-UHFFFAOYSA-N 1 0 373.413 2.809 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+]Cc2ccc3c(c2)CCC3)cc1[N+](=O)[O-] ZINC001343509467 1052273847 /nfs/dbraw/zinc/27/38/47/1052273847.db2.gz KXQHMRIYIJXDFO-UHFFFAOYSA-N 1 0 370.405 2.925 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)O[C@H](c1ccccc1)[C@H](C)[NH+]1CCCC1 ZINC001345268856 1052357021 /nfs/dbraw/zinc/35/70/21/1052357021.db2.gz ONKSJFDXUAAZPS-LIRRHRJNSA-N 1 0 372.425 2.869 20 5 FFBDRO C[C@H]([NH2+]C[C@H](O)c1cc(Br)no1)c1ccc([N+](=O)[O-])cc1 ZINC001308066495 1052397973 /nfs/dbraw/zinc/39/79/73/1052397973.db2.gz AWKKEYIRTZLDLI-KWQFWETISA-N 1 0 356.176 2.730 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[N@H+](C3CCCC3)[C@@H](C)C2)c1 ZINC001308079618 1052401145 /nfs/dbraw/zinc/40/11/45/1052401145.db2.gz NUHQLCKUGWBFMS-AWEZNQCLSA-N 1 0 361.442 2.830 20 5 FFBDRO O=[N+]([O-])c1cccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)c1 ZINC001308283579 1052441417 /nfs/dbraw/zinc/44/14/17/1052441417.db2.gz ZIFKFDVGXSQFAR-AZUAARDMSA-N 1 0 355.438 2.567 20 5 FFBDRO O=C1C[C@H](Oc2ccc([N+](=O)[O-])cc2)N1CN1CCC[C@H](CCF)C1 ZINC001347239003 1053747048 /nfs/dbraw/zinc/74/70/48/1053747048.db2.gz TWKOMCRUXTUNNF-DYVFJYSZSA-N 1 0 351.378 2.561 20 5 FFBDRO Cc1nn(C[N@@H+]2CCC[C@H]([C@H]3CCCCO3)C2)c2ncc([N+](=O)[O-])cc12 ZINC001347244909 1053753643 /nfs/dbraw/zinc/75/36/43/1053753643.db2.gz WPHNJLNRLUZLGG-WMLDXEAASA-N 1 0 359.430 2.887 20 5 FFBDRO CNc1c(C(=O)N2C[C@]34C[N@H+](C)C[C@@]3(C2)CCCC4)cccc1[N+](=O)[O-] ZINC001336308664 1053916267 /nfs/dbraw/zinc/91/62/67/1053916267.db2.gz IDGGTQWLIBIWCU-KDURUIRLSA-N 1 0 358.442 2.585 20 5 FFBDRO C[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC001336744016 1054186566 /nfs/dbraw/zinc/18/65/66/1054186566.db2.gz CGEYIBJPISZKDL-JTQLQIEISA-N 1 0 374.210 2.711 20 5 FFBDRO CC[NH+](CC)CC[C@H](C)NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC001348855070 1054964438 /nfs/dbraw/zinc/96/44/38/1054964438.db2.gz MMUAASKXOYGHLZ-AWEZNQCLSA-N 1 0 359.430 2.631 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)c3cc(F)c(F)cc3[N+](=O)[O-])C[C@H]2C1 ZINC001349967753 1055564848 /nfs/dbraw/zinc/56/48/48/1055564848.db2.gz OMHCMHBOCNKWNZ-IJLUTSLNSA-N 1 0 353.369 2.675 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@H](O)c2ccc(C(F)(F)F)cc2)c1 ZINC001356569837 1055588961 /nfs/dbraw/zinc/58/89/61/1055588961.db2.gz QAZIWKZWVOWPBQ-HZPDHXFCSA-N 1 0 370.327 2.970 20 5 FFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@H](O)c2ccc(C(F)(F)F)cc2)c1 ZINC001356569836 1055589288 /nfs/dbraw/zinc/58/92/88/1055589288.db2.gz QAZIWKZWVOWPBQ-HOTGVXAUSA-N 1 0 370.327 2.970 20 5 FFBDRO COc1ccc(OC)c(NC(=[NH2+])NCc2cc([N+](=O)[O-])ccc2OC)c1 ZINC000849066834 1055620735 /nfs/dbraw/zinc/62/07/35/1055620735.db2.gz SQYYBMYHCGAQAU-UHFFFAOYSA-N 1 0 360.370 2.757 20 5 FFBDRO O=C(COc1ccccc1[N+](=O)[O-])N1C[C@H]2CCC[N@@H+]2Cc2ccccc21 ZINC001350857290 1055969487 /nfs/dbraw/zinc/96/94/87/1055969487.db2.gz ZWCMYRCSAVIGMN-MRXNPFEDSA-N 1 0 367.405 2.985 20 5 FFBDRO O=C(c1cc2ccccc2c2cccnc12)N1CCC2(CC1)C[NH2+]CCO2 ZINC001358308490 1056242149 /nfs/dbraw/zinc/24/21/49/1056242149.db2.gz ZGLBFZABGMHMFB-UHFFFAOYSA-N 1 0 361.445 2.983 20 5 FFBDRO Nc1c(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc2ccccc2c1[N+](=O)[O-] ZINC001544237541 1071616685 /nfs/dbraw/zinc/61/66/85/1071616685.db2.gz JLCYKGFSRZCSPM-HZPDHXFCSA-N 1 0 354.410 2.687 20 5 FFBDRO CCn1c(C[N+](=O)[O-])nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001339454189 1056470626 /nfs/dbraw/zinc/47/06/26/1056470626.db2.gz HMXAWZDAEQQNGH-WBVHZDCISA-N 1 0 372.473 2.564 20 5 FFBDRO Cn1cc(COC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)c([N+](=O)[O-])n1 ZINC000847785109 1056618703 /nfs/dbraw/zinc/61/87/03/1056618703.db2.gz FXVJUADJUQZNCU-UHFFFAOYSA-N 1 0 372.425 2.674 20 5 FFBDRO CC(C)[N@@H+]1CC[C@H](C(=O)Oc2cccc([N+](=O)[O-])c2)[C@H](c2cnn(C)c2)C1 ZINC000849487699 1056872544 /nfs/dbraw/zinc/87/25/44/1056872544.db2.gz FBLCPNPGHVWRPG-ROUUACIJSA-N 1 0 372.425 2.748 20 5 FFBDRO C[C@H](C(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-])C(C)(F)F ZINC001518552928 1058420355 /nfs/dbraw/zinc/42/03/55/1058420355.db2.gz ZUNDGWQIWNDQAF-LLVKDONJSA-N 1 0 356.373 2.576 20 5 FFBDRO C[C@H](COC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)[NH+]1CCCCC1 ZINC000847958869 1058518072 /nfs/dbraw/zinc/51/80/72/1058518072.db2.gz DLPOISXGTSAISF-CQSZACIVSA-N 1 0 358.398 2.812 20 5 FFBDRO C[N@H+](Cc1ccccc1)C1CN(C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)C1 ZINC001449330487 1058891589 /nfs/dbraw/zinc/89/15/89/1058891589.db2.gz JPMSSZSXAHOHCA-UHFFFAOYSA-N 1 0 374.828 2.787 20 5 FFBDRO Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2N)ccc1OCC[NH+](C)C ZINC001451132343 1059086268 /nfs/dbraw/zinc/08/62/68/1059086268.db2.gz KNZGJKNKCYXERA-UHFFFAOYSA-N 1 0 358.398 2.678 20 5 FFBDRO Cc1ccc(CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)cc1[N+](=O)[O-] ZINC001200704258 1059152075 /nfs/dbraw/zinc/15/20/75/1059152075.db2.gz SCUNSGSORUPPDI-PMACEKPBSA-N 1 0 369.465 2.876 20 5 FFBDRO CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Nc3cc[nH+]cc3)cc2)n1 ZINC001452748647 1059292889 /nfs/dbraw/zinc/29/28/89/1059292889.db2.gz ONCVOFWUMICBDL-UHFFFAOYSA-N 1 0 352.354 2.624 20 5 FFBDRO C[C@H](C(=O)OC[C@@H]1CC[N@@H+]1C1CCOCC1)c1ccc([N+](=O)[O-])cc1F ZINC001520069487 1059374508 /nfs/dbraw/zinc/37/45/08/1059374508.db2.gz RAYRNTCJXCILSU-WFASDCNBSA-N 1 0 366.389 2.634 20 5 FFBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[N@@H+](C)CC1(C)C ZINC001456172933 1060035674 /nfs/dbraw/zinc/03/56/74/1060035674.db2.gz FQGCVJJOZDAOGV-CYBMUJFWSA-N 1 0 370.247 2.736 20 5 FFBDRO C[N@@H+]1CCC[C@H]2CN(Cn3cc(-c4ccccc4[N+](=O)[O-])cn3)CC[C@H]21 ZINC000848483116 1060121815 /nfs/dbraw/zinc/12/18/15/1060121815.db2.gz YOPUFPMYXUHPKC-MAUKXSAKSA-N 1 0 355.442 2.832 20 5 FFBDRO O=C1[C@H](c2ccc([N+](=O)[O-])cc2)CCN1C[N@@H+]1CCC[C@@H]1C1CCOCC1 ZINC000848484343 1060124380 /nfs/dbraw/zinc/12/43/80/1060124380.db2.gz ZAQKVUIIKRBZNG-RBUKOAKNSA-N 1 0 373.453 2.759 20 5 FFBDRO O=[N+]([O-])c1ccc2ncc([N+](=O)[O-])c(N3CC[C@@H]([NH+]4CCCC4)C3)c2c1 ZINC001458158382 1060526667 /nfs/dbraw/zinc/52/66/67/1060526667.db2.gz QWWAWOPVMWLSDN-CYBMUJFWSA-N 1 0 357.370 2.726 20 5 FFBDRO O=[N+]([O-])c1ccc(C(F)(F)F)cc1N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC001458165638 1060528803 /nfs/dbraw/zinc/52/88/03/1060528803.db2.gz LRIPEBGONFEIBZ-HIFRSBDPSA-N 1 0 359.348 2.649 20 5 FFBDRO CCN(CCC[NH+](CC)CC)c1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC001458333638 1060566411 /nfs/dbraw/zinc/56/64/11/1060566411.db2.gz REBNOKDZEBMJLU-UHFFFAOYSA-N 1 0 352.435 2.643 20 5 FFBDRO CC(C)Oc1nc(N[C@H]2CCC[N@@H+]3CCSC[C@H]23)ccc1[N+](=O)[O-] ZINC001458594237 1060629589 /nfs/dbraw/zinc/62/95/89/1060629589.db2.gz MBFRLEAUJPTARW-GXTWGEPZSA-N 1 0 352.460 2.769 20 5 FFBDRO COC(=O)[C@H](Cc1ccccc1)[C@@H](C)[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC001460098109 1060895957 /nfs/dbraw/zinc/89/59/57/1060895957.db2.gz VBNCPEWYTIFBLQ-DNVCBOLYSA-N 1 0 372.421 2.984 20 5 FFBDRO O=C(NCc1ccc2c[nH+]cn2c1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC001460744582 1061084487 /nfs/dbraw/zinc/08/44/87/1061084487.db2.gz JMQMPSPLAMMCFA-UHFFFAOYSA-N 1 0 351.366 2.747 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cccc(-n2cncn2)c1 ZINC001461233944 1061259151 /nfs/dbraw/zinc/25/91/51/1061259151.db2.gz ZJQZSCHWUVIPAG-UHFFFAOYSA-N 1 0 353.382 2.864 20 5 FFBDRO COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC001462547110 1061664769 /nfs/dbraw/zinc/66/47/69/1061664769.db2.gz DNKUMILCNNAMAE-GGZOMVNGSA-N 1 0 357.204 2.645 20 5 FFBDRO CC(C)(C[NH+]1CCCC1)NC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001529260473 1062240112 /nfs/dbraw/zinc/24/01/12/1062240112.db2.gz OMGIXCAHNSNEHU-UHFFFAOYSA-N 1 0 356.426 2.934 20 5 FFBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)C1 ZINC001464546460 1062678233 /nfs/dbraw/zinc/67/82/33/1062678233.db2.gz SPFKVKCQUNYXMO-SNVBAGLBSA-N 1 0 372.828 2.820 20 5 FFBDRO CC(C)C[C@@H](CNC(=O)COc1ccc([N+](=O)[O-])c2cccnc12)[NH+](C)C ZINC001464875412 1062888913 /nfs/dbraw/zinc/88/89/13/1062888913.db2.gz RNFCVVBTHMOKEA-AWEZNQCLSA-N 1 0 374.441 2.614 20 5 FFBDRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC001525865165 1063442570 /nfs/dbraw/zinc/44/25/70/1063442570.db2.gz IVIUTTCGQXUSLK-TZMCWYRMSA-N 1 0 369.849 2.958 20 5 FFBDRO C[NH+]1CCC(n2ccc(NC(=O)Nc3ccc(F)c([N+](=O)[O-])c3)n2)CC1 ZINC001466678664 1063519705 /nfs/dbraw/zinc/51/97/05/1063519705.db2.gz HDZNEBSANVZZDA-UHFFFAOYSA-N 1 0 362.365 2.841 20 5 FFBDRO Cc1c(Br)cc(C(=O)N[C@@H]2C[N@@H+](C)CC2(C)C)cc1[N+](=O)[O-] ZINC001472025870 1064898151 /nfs/dbraw/zinc/89/81/51/1064898151.db2.gz HJYGFRLPJMBKIL-CYBMUJFWSA-N 1 0 370.247 2.736 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(C[NH2+][C@H]2CCC[C@@H]2CCO)o1 ZINC001473384551 1065252408 /nfs/dbraw/zinc/25/24/08/1065252408.db2.gz KXTRGCCMRNASES-MFKMUULPSA-N 1 0 366.805 2.939 20 5 FFBDRO C[C@@]([NH3+])(C(=O)N[C@@H]1CCOc2ccc(F)cc21)c1cccc([N+](=O)[O-])c1 ZINC001576080732 1078193972 /nfs/dbraw/zinc/19/39/72/1078193972.db2.gz HDRVHMJJIYWHJY-QAPCUYQASA-N 1 0 359.357 2.548 20 5 FFBDRO CCN1CCC[C@@H]([NH2+]Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C1=O ZINC001474276135 1065483393 /nfs/dbraw/zinc/48/33/93/1065483393.db2.gz JZBGJOWUFMPHKN-MRXNPFEDSA-N 1 0 373.409 2.964 20 5 FFBDRO Cc1ccc(S(=O)(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)cc1[N+](=O)[O-] ZINC001474825199 1065618037 /nfs/dbraw/zinc/61/80/37/1065618037.db2.gz PAOYZEKPUSZMRZ-KRWDZBQOSA-N 1 0 369.487 2.692 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC001474825073 1065618151 /nfs/dbraw/zinc/61/81/51/1065618151.db2.gz OIGUFLGZVBKRPC-MRXNPFEDSA-N 1 0 369.487 2.692 20 5 FFBDRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC001576893247 1078284799 /nfs/dbraw/zinc/28/47/99/1078284799.db2.gz FEPLVHKWIHDOPK-NKWVEPMBSA-N 1 0 350.177 2.863 20 5 FFBDRO CC[C@H]1[C@@H](C)CCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[NH2+]C ZINC001577237399 1078322102 /nfs/dbraw/zinc/32/21/02/1078322102.db2.gz SVXDQQUZVAMPGT-BBRMVZONSA-N 1 0 358.446 2.698 20 5 FFBDRO CC[NH2+][C@H](C)Cn1c(CC2CC2)nnc1N(C)Cc1ccccc1[N+](=O)[O-] ZINC001577897251 1078411481 /nfs/dbraw/zinc/41/14/81/1078411481.db2.gz WJUGFRHFCVWDQU-CQSZACIVSA-N 1 0 372.473 2.773 20 5 FFBDRO CCc1nnc(N(C)Cc2ccccc2[N+](=O)[O-])n1CCC[C@H]1CCC[NH2+]1 ZINC001578305397 1078461286 /nfs/dbraw/zinc/46/12/86/1078461286.db2.gz MWWLMWPGMLLSAR-MRXNPFEDSA-N 1 0 372.473 2.917 20 5 FFBDRO CN(C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)C1(C[NH3+])CCCCC1 ZINC001578390656 1078468585 /nfs/dbraw/zinc/46/85/85/1078468585.db2.gz FWPHXCDPIFSSPY-UHFFFAOYSA-N 1 0 357.414 2.514 20 5 FFBDRO C[NH2+]C[C@H](C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H]1C ZINC001578629509 1078505944 /nfs/dbraw/zinc/50/59/44/1078505944.db2.gz NOCWIDYHCBUSLP-KBPBESRZSA-N 1 0 358.446 2.698 20 5 FFBDRO C[C@@H]([NH3+])Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H]2C[C@]1(C)CCC2 ZINC001579402109 1078625598 /nfs/dbraw/zinc/62/55/98/1078625598.db2.gz KBQNONJUDMLKPL-LPMFXHHGSA-N 1 0 370.457 2.969 20 5 FFBDRO Cc1c(Br)cc(C(=O)N[C@@H]2CC[NH2+]C2(C)C)cc1[N+](=O)[O-] ZINC001579516653 1078638313 /nfs/dbraw/zinc/63/83/13/1078638313.db2.gz PPKBROYQWXTUKB-GFCCVEGCSA-N 1 0 356.220 2.536 20 5 FFBDRO Cc1occc1CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H](C)[NH3+] ZINC001579931766 1078718184 /nfs/dbraw/zinc/71/81/84/1078718184.db2.gz NKPYTAHDKJWAPM-GFCCVEGCSA-N 1 0 370.413 2.738 20 5 FFBDRO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C2 ZINC001580334877 1078787879 /nfs/dbraw/zinc/78/78/79/1078787879.db2.gz BJJGUAXWDSQDKE-NHYWBVRUSA-N 1 0 357.332 2.815 20 5 FFBDRO O=C(NC[C@@H]1[NH2+]CCc2ccccc21)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC001580672575 1078846001 /nfs/dbraw/zinc/84/60/01/1078846001.db2.gz GZQSIVISUIPYDG-INIZCTEOSA-N 1 0 350.378 2.693 20 5 FFBDRO O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CC2(C1)CC[NH2+]CC2 ZINC001580769963 1078857252 /nfs/dbraw/zinc/85/72/52/1078857252.db2.gz FUKQNVNHVXTTOL-UHFFFAOYSA-N 1 0 358.320 2.831 20 5 FFBDRO O=[N+]([O-])c1cccc(CN2CCC[C@H]3C[NH2+]CC[C@H]32)c1Br ZINC001580875571 1078882011 /nfs/dbraw/zinc/88/20/11/1078882011.db2.gz NIDITGFIDFMTMF-WCQYABFASA-N 1 0 354.248 2.931 20 5 FFBDRO COc1c(C(=O)N[C@@H]2CC[N@H+](Cc3cccc(C)c3)C2)cccc1[N+](=O)[O-] ZINC001557757259 1075884751 /nfs/dbraw/zinc/88/47/51/1075884751.db2.gz AQYOIWQJOWBDFR-MRXNPFEDSA-N 1 0 369.421 2.916 20 5 FFBDRO Cc1cccc(C[N@@H+]2CC[C@H](NC(=O)c3cc([N+](=O)[O-])c(F)cc3N)C2)c1 ZINC001557763213 1075886224 /nfs/dbraw/zinc/88/62/24/1075886224.db2.gz UYBXOZRCAGSKRC-AWEZNQCLSA-N 1 0 372.400 2.629 20 5 FFBDRO O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC001557849939 1075899184 /nfs/dbraw/zinc/89/91/84/1075899184.db2.gz QCURCRQLKLWAKJ-CQSZACIVSA-N 1 0 351.834 2.924 20 5 FFBDRO CC[N@@H+]1C[C@@H](NC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])C(C)(C)C1 ZINC001558525074 1076024747 /nfs/dbraw/zinc/02/47/47/1076024747.db2.gz GHTGNKLQQFKIGY-OAHLLOKOSA-N 1 0 367.471 2.785 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N[C@H]1CC[N@H+](CC2CC2)C1 ZINC001559102560 1076126067 /nfs/dbraw/zinc/12/60/67/1076126067.db2.gz VQBKFXMZTGQVIX-NSHDSACASA-N 1 0 353.806 2.931 20 5 FFBDRO COCCN(CC1CC[NH+](C)CC1)c1nc2ccccc2cc1[N+](=O)[O-] ZINC001559253917 1076139591 /nfs/dbraw/zinc/13/95/91/1076139591.db2.gz QQGZTKQHXDNLNR-UHFFFAOYSA-N 1 0 358.442 2.938 20 5 FFBDRO O=[N+]([O-])c1ccc2ncc([N+](=O)[O-])c(NC[C@@H]3CC[N@@H+]3C3CCCC3)c2c1 ZINC001559252110 1076139833 /nfs/dbraw/zinc/13/98/33/1076139833.db2.gz TXJZCXHRMLULFD-AWEZNQCLSA-N 1 0 371.397 2.902 20 5 FFBDRO C[Si](C)(C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1)c1ccccc1 ZINC001559482582 1076165747 /nfs/dbraw/zinc/16/57/47/1076165747.db2.gz JIHQIXCSSFVTKC-UHFFFAOYSA-N 1 0 355.514 2.872 20 5 FFBDRO COc1ccc(NC(=O)C[NH2+][C@]2(C)CCOc3ccccc32)c([N+](=O)[O-])c1 ZINC001560168903 1076240449 /nfs/dbraw/zinc/24/04/49/1076240449.db2.gz VPGZOHIKNCIXLP-LJQANCHMSA-N 1 0 371.393 2.829 20 5 FFBDRO NC(=O)C[C@H]([NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C1CCOCC1 ZINC001560425026 1076272582 /nfs/dbraw/zinc/27/25/82/1076272582.db2.gz PDVVKALGCZBXEN-KRWDZBQOSA-N 1 0 373.409 2.615 20 5 FFBDRO O=[N+]([O-])c1sc(CN2CC[NH+](CC3CC3)CC2)cc1Br ZINC001560655338 1076289202 /nfs/dbraw/zinc/28/92/02/1076289202.db2.gz VOELJQSLHZIALH-UHFFFAOYSA-N 1 0 360.277 2.946 20 5 FFBDRO O=C1C[C@H]([NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CN1CC1CC1 ZINC001560983005 1076315921 /nfs/dbraw/zinc/31/59/21/1076315921.db2.gz NORKUWWQBDYPMR-BPQIPLTHSA-N 1 0 357.454 2.907 20 5 FFBDRO Cc1ccc(S(=O)(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)c(C)c1[N+](=O)[O-] ZINC001561474839 1076381929 /nfs/dbraw/zinc/38/19/29/1076381929.db2.gz RJGUOXSUSZBAOM-GXTWGEPZSA-N 1 0 369.487 2.610 20 5 FFBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N1CC2(C1)C[NH+](Cc1ccccc1)C2 ZINC001562162849 1076478990 /nfs/dbraw/zinc/47/89/90/1076478990.db2.gz DEQWBZNRIITSNG-UHFFFAOYSA-N 1 0 352.394 2.945 20 5 FFBDRO CC(C)C(C)(C)NC(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001563309999 1076540895 /nfs/dbraw/zinc/54/08/95/1076540895.db2.gz HXUIWPTVXJGRKG-UHFFFAOYSA-N 1 0 363.462 2.903 20 5 FFBDRO O=C(NC1(C[NH2+]Cc2cccc(F)c2F)CCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001570796191 1077231210 /nfs/dbraw/zinc/23/12/10/1077231210.db2.gz HTECGAOFLKYLNM-UKRRQHHQSA-N 1 0 367.396 2.539 20 5 FFBDRO C[N@@H+]1CCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C[C@H]1C(C)(C)C ZINC001570910762 1077241939 /nfs/dbraw/zinc/24/19/39/1077241939.db2.gz RIFCDKCJULAGCF-KRWDZBQOSA-N 1 0 371.441 2.583 20 5 FFBDRO C[NH+](C)[C@H]1C[C@@H](NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C12CCC2 ZINC001585898844 1079511220 /nfs/dbraw/zinc/51/12/20/1079511220.db2.gz GFDWWCHSGXLZFB-CABCVRRESA-N 1 0 369.824 2.919 20 5 FFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1C ZINC001586485479 1079638310 /nfs/dbraw/zinc/63/83/10/1079638310.db2.gz VJSXACWYRJUOMP-IFXJQAMLSA-N 1 0 368.437 2.939 20 5 FFBDRO COc1ccc(C(=O)N2CC3(C2)C[NH+](Cc2ccccc2)C3)cc1[N+](=O)[O-] ZINC001587222599 1079756928 /nfs/dbraw/zinc/75/69/28/1079756928.db2.gz AVXKONAAMDNUMV-UHFFFAOYSA-N 1 0 367.405 2.561 20 5 FFBDRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001587467316 1079796403 /nfs/dbraw/zinc/79/64/03/1079796403.db2.gz OGJFEQVLPZCMQE-UHFFFAOYSA-N 1 0 365.821 2.743 20 5 FFBDRO CC(C)([NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)c1ccccc1[N+](=O)[O-] ZINC001589321624 1080481849 /nfs/dbraw/zinc/48/18/49/1080481849.db2.gz HGNKPHINQJLGAI-UHFFFAOYSA-N 1 0 356.361 2.939 20 5 FFBDRO C[C@H](CCNc1cc(-c2nn[nH]n2)sc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC001589831236 1080783294 /nfs/dbraw/zinc/78/32/94/1080783294.db2.gz UTXTZTRKEUQKNT-SNVBAGLBSA-N 1 0 351.436 2.513 20 5 FFBDRO C[C@@H](CNc1cccc(-c2nn[nH]n2)c1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC001589877017 1080824915 /nfs/dbraw/zinc/82/49/15/1080824915.db2.gz FQJIJZDANYLLKE-ZDUSSCGKSA-N 1 0 367.413 2.707 20 5 FFBDRO C[C@H](Nc1cc(-c2nn[nH]n2)ccc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001589978294 1080917559 /nfs/dbraw/zinc/91/75/59/1080917559.db2.gz MCVLCTFSSBJPEB-JSGCOSHPSA-N 1 0 371.445 2.840 20 5 FFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000055935828 205226151 /nfs/dbraw/zinc/22/61/51/205226151.db2.gz SBESJKRJEPCFFS-OAHLLOKOSA-N 1 0 362.474 2.976 20 5 FFBDRO CCCC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000109852445 206064280 /nfs/dbraw/zinc/06/42/80/206064280.db2.gz LTURZQSVKMNCCK-HNNXBMFYSA-N 1 0 355.460 2.528 20 5 FFBDRO O=C1CCCCN1CC1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000072663684 249773919 /nfs/dbraw/zinc/77/39/19/249773919.db2.gz WCFJNENZULLAPZ-UHFFFAOYSA-N 1 0 361.442 2.698 20 5 FFBDRO CC[NH+](CC)C[C@H]1CCN(Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000093693282 250042386 /nfs/dbraw/zinc/04/23/86/250042386.db2.gz CKCNZQVHVVNJOD-CQSZACIVSA-N 1 0 351.447 2.776 20 5 FFBDRO CC(C)C(=O)NC[C@@H]1CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000101908643 250093346 /nfs/dbraw/zinc/09/33/46/250093346.db2.gz KUIWGHRYBSFUQA-INIZCTEOSA-N 1 0 363.458 2.848 20 5 FFBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000103186627 250138725 /nfs/dbraw/zinc/13/87/25/250138725.db2.gz FUSOFNMPZNRAJP-NSHDSACASA-N 1 0 353.444 2.539 20 5 FFBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000105327883 250209195 /nfs/dbraw/zinc/20/91/95/250209195.db2.gz ZFHGJICRFAOWBH-AWEZNQCLSA-N 1 0 360.439 2.885 20 5 FFBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C1 ZINC000106363575 250266074 /nfs/dbraw/zinc/26/60/74/250266074.db2.gz CNAIVDUIEWZCCU-INIZCTEOSA-N 1 0 360.458 2.751 20 5 FFBDRO C[C@@H]1[C@H](C)SCC[N@@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000118419486 250385340 /nfs/dbraw/zinc/38/53/40/250385340.db2.gz BQEWRORZHSFFTD-NEPJUHHUSA-N 1 0 351.428 2.719 20 5 FFBDRO Cc1c(NC(=O)CCN2CCC[C@H]([NH+]3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000118828294 250407032 /nfs/dbraw/zinc/40/70/32/250407032.db2.gz OBAFXIQTEQNNGL-INIZCTEOSA-N 1 0 360.458 2.792 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)c1 ZINC000285701784 257000536 /nfs/dbraw/zinc/00/05/36/257000536.db2.gz HNJZZAOGCTUMRO-HOTGVXAUSA-N 1 0 361.442 2.757 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000186780921 251261789 /nfs/dbraw/zinc/26/17/89/251261789.db2.gz OKBFYMFAZKCIHG-AWEZNQCLSA-N 1 0 364.446 2.521 20 5 FFBDRO CCC(CC)(CNC(=O)c1nn(C)cc1[N+](=O)[O-])[NH2+][C@@H](C)c1ccccc1 ZINC000271326381 251762406 /nfs/dbraw/zinc/76/24/06/251762406.db2.gz ABWPPIUTDODHLF-AWEZNQCLSA-N 1 0 373.457 2.968 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)NCC2(C)CC[NH+](C)CC2)cc1SC ZINC000272499865 252053265 /nfs/dbraw/zinc/05/32/65/252053265.db2.gz DLLBSVWUBPPGRX-UHFFFAOYSA-N 1 0 367.471 2.787 20 5 FFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC1(C)CC[NH+](C)CC1 ZINC000272533224 252061821 /nfs/dbraw/zinc/06/18/21/252061821.db2.gz NJSDABBMRIVOEY-CYBMUJFWSA-N 1 0 351.472 2.924 20 5 FFBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000272569931 252070664 /nfs/dbraw/zinc/07/06/64/252070664.db2.gz TULDXKIZZVSERX-IUODEOHRSA-N 1 0 368.865 2.772 20 5 FFBDRO CC(=O)c1ccc(NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000273196014 252247762 /nfs/dbraw/zinc/24/77/62/252247762.db2.gz NOYSJHLLKWSLCF-GOSISDBHSA-N 1 0 369.421 2.976 20 5 FFBDRO CC(C)(CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)C[NH+]1CCCC1 ZINC000276580694 256112102 /nfs/dbraw/zinc/11/21/02/256112102.db2.gz BYDPMKUWUAVFIN-UHFFFAOYSA-N 1 0 355.460 2.532 20 5 FFBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000276729229 256124854 /nfs/dbraw/zinc/12/48/54/256124854.db2.gz SYUZVADSOSRKAW-STQMWFEESA-N 1 0 369.849 2.786 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000277354680 256188770 /nfs/dbraw/zinc/18/87/70/256188770.db2.gz GERDHQRSYLLNIH-HNNXBMFYSA-N 1 0 364.446 2.834 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H]([NH+](C)C)CC2)cc1SC ZINC000277318711 256184060 /nfs/dbraw/zinc/18/40/60/256184060.db2.gz QQXRSDSLGNGFIW-LBPRGKRZSA-N 1 0 367.471 2.882 20 5 FFBDRO CN(C)C(=O)[C@H]1CCCN1CCC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278160387 256283194 /nfs/dbraw/zinc/28/31/94/256283194.db2.gz AVIXKCMPLYYDDY-RBUKOAKNSA-N 1 0 374.485 2.505 20 5 FFBDRO CCOC(=O)c1n[nH]c(C2CC[NH+]([C@H](C)c3ccccc3[N+](=O)[O-])CC2)n1 ZINC000277940147 256258409 /nfs/dbraw/zinc/25/84/09/256258409.db2.gz ZJLULGZPTWCJFX-GFCCVEGCSA-N 1 0 373.413 2.830 20 5 FFBDRO Cc1c(Cc2nc([C@H]3CN4CCCC[C@@H]4CO3)no2)cccc1[N+](=O)[O-] ZINC000278057574 256271555 /nfs/dbraw/zinc/27/15/55/256271555.db2.gz MFSFOYWAJLYWDR-GDBMZVCRSA-N 1 0 358.398 2.803 20 5 FFBDRO COc1cc(C[NH2+]CCC[C@@H](C)O)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000278573970 256326541 /nfs/dbraw/zinc/32/65/41/256326541.db2.gz DWSYPPZMHFPBGT-SNVBAGLBSA-N 1 0 366.336 2.795 20 5 FFBDRO CCc1n[nH]c(C(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000278684752 256338078 /nfs/dbraw/zinc/33/80/78/256338078.db2.gz UMOFCEJORGRKSQ-UHFFFAOYSA-N 1 0 371.441 2.617 20 5 FFBDRO CCCC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)CC1 ZINC000279104842 256381797 /nfs/dbraw/zinc/38/17/97/256381797.db2.gz BCCVJBRJQHZLQU-UHFFFAOYSA-N 1 0 366.437 2.794 20 5 FFBDRO Cc1nn(C)c(N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1[N+](=O)[O-] ZINC000286260973 257028110 /nfs/dbraw/zinc/02/81/10/257028110.db2.gz GQKYKSJGPCETBL-LJQANCHMSA-N 1 0 355.442 2.739 20 5 FFBDRO C[C@@H]1C[NH+](CCCNc2ncnc3sc([N+](=O)[O-])cc32)C[C@@H](C)O1 ZINC000286264037 257028547 /nfs/dbraw/zinc/02/85/47/257028547.db2.gz WACCMDZBHQWFGI-GHMZBOCLSA-N 1 0 351.432 2.511 20 5 FFBDRO COC(=O)c1cc(C)nc(NC[C@@H]2CCC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000286426050 257036475 /nfs/dbraw/zinc/03/64/75/257036475.db2.gz VUAPHEOLYGRNCM-ZDUSSCGKSA-N 1 0 350.419 2.617 20 5 FFBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000286473022 257038694 /nfs/dbraw/zinc/03/86/94/257038694.db2.gz VZVWVDZZNZZCTD-WBVHZDCISA-N 1 0 372.469 2.894 20 5 FFBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000286815626 257056686 /nfs/dbraw/zinc/05/66/86/257056686.db2.gz JYJCRCKUIWQVFI-LRDDRELGSA-N 1 0 366.849 2.745 20 5 FFBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC000287142795 257074464 /nfs/dbraw/zinc/07/44/64/257074464.db2.gz SIVLEZYOHVJAEY-YQQAZPJKSA-N 1 0 366.483 2.720 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]([C@@H](C)CO)C1CCCC1 ZINC000287786497 257112535 /nfs/dbraw/zinc/11/25/35/257112535.db2.gz NRAWJEAYGQTUCI-ZDUSSCGKSA-N 1 0 365.430 2.557 20 5 FFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000289943593 257307970 /nfs/dbraw/zinc/30/79/70/257307970.db2.gz PSNLKGRIIAETDU-IAQYHMDHSA-N 1 0 363.805 2.719 20 5 FFBDRO Cc1ccncc1CCCN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000289987863 257310034 /nfs/dbraw/zinc/31/00/34/257310034.db2.gz KCJVSDDENJJEAG-UHFFFAOYSA-N 1 0 368.437 2.689 20 5 FFBDRO Cc1cnn([C@@H]2CC[N@H+](CCC(=O)Nc3cccc([N+](=O)[O-])c3C)C2)c1 ZINC000290053578 257313309 /nfs/dbraw/zinc/31/33/09/257313309.db2.gz XFUVCXKIRAKPLC-OAHLLOKOSA-N 1 0 357.414 2.684 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H]3CCCS(=O)(=O)C3)o2)cc1 ZINC000290157583 257318078 /nfs/dbraw/zinc/31/80/78/257318078.db2.gz POSAORDAKBEDFE-ZDUSSCGKSA-N 1 0 364.423 2.769 20 5 FFBDRO Cc1cc(N2CCC(C[NH+]3CCN(C)CC3)CC2)c(F)cc1[N+](=O)[O-] ZINC000291008642 257372956 /nfs/dbraw/zinc/37/29/56/257372956.db2.gz UQTBFIORUQYVOW-UHFFFAOYSA-N 1 0 350.438 2.506 20 5 FFBDRO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@](CO)(c3ccccc3)C2)c2c(c1)COCO2 ZINC000291020393 257374390 /nfs/dbraw/zinc/37/43/90/257374390.db2.gz AFPJQSSTCDTEPW-HXUWFJFHSA-N 1 0 370.405 2.597 20 5 FFBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000301206686 258034005 /nfs/dbraw/zinc/03/40/05/258034005.db2.gz TVIAFUJCMJCESJ-MRXNPFEDSA-N 1 0 355.442 2.921 20 5 FFBDRO Cn1ccnc1C(=O)c1ccc(N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c([N+](=O)[O-])c1 ZINC000301231498 258035744 /nfs/dbraw/zinc/03/57/44/258035744.db2.gz FRJWWFZECXLSDQ-HZPDHXFCSA-N 1 0 369.425 2.598 20 5 FFBDRO O=C(c1cc(N2CCC[C@@H]([NH+]3CCCC3)C2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000301233511 258035772 /nfs/dbraw/zinc/03/57/72/258035772.db2.gz GMBXAWZVQQCUSE-QGZVFWFLSA-N 1 0 372.469 2.895 20 5 FFBDRO CC[N@@H+]1CCCC[C@@H]1CNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000301235599 258035855 /nfs/dbraw/zinc/03/58/55/258035855.db2.gz LSWDNICGGZTJEY-OAHLLOKOSA-N 1 0 371.441 2.846 20 5 FFBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc([N+](=O)[O-])ccc1Br ZINC000317144149 258115898 /nfs/dbraw/zinc/11/58/98/258115898.db2.gz FOMPHKXUCMFDCN-MNOVXSKESA-N 1 0 368.231 2.714 20 5 FFBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc([N+](=O)[O-])c1Br ZINC000317301725 258115988 /nfs/dbraw/zinc/11/59/88/258115988.db2.gz MONWWBKHWFMQLP-WDEREUQCSA-N 1 0 368.231 2.714 20 5 FFBDRO Cc1cc(NCCC[NH+]2CCN(c3ccccc3)CC2)ncc1[N+](=O)[O-] ZINC000301417103 258048121 /nfs/dbraw/zinc/04/81/21/258048121.db2.gz CFIAEFYGQQLNGU-UHFFFAOYSA-N 1 0 355.442 2.922 20 5 FFBDRO Cc1cnc(N[C@@H](C)C[NH+]2CCN(c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000301466015 258051179 /nfs/dbraw/zinc/05/11/79/258051179.db2.gz XGYWCRPYYZNNHF-INIZCTEOSA-N 1 0 355.442 2.921 20 5 FFBDRO C[C@H]1C[NH+](CCCNc2ncc([N+](=O)[O-])cc2Br)C[C@H](C)O1 ZINC000301546422 258055218 /nfs/dbraw/zinc/05/52/18/258055218.db2.gz POWBXXJKTDVMHO-QWRGUYRKSA-N 1 0 373.251 2.664 20 5 FFBDRO COc1cc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc(OC)c1 ZINC000301558349 258055714 /nfs/dbraw/zinc/05/57/14/258055714.db2.gz JJDZTJCNQWYLIO-AWEZNQCLSA-N 1 0 358.398 2.693 20 5 FFBDRO COc1cc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc(OC)c1 ZINC000301558351 258055971 /nfs/dbraw/zinc/05/59/71/258055971.db2.gz JJDZTJCNQWYLIO-CQSZACIVSA-N 1 0 358.398 2.693 20 5 FFBDRO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000301717138 258064137 /nfs/dbraw/zinc/06/41/37/258064137.db2.gz NUKJZUSNAXNDJH-LRDDRELGSA-N 1 0 365.405 2.831 20 5 FFBDRO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000301717137 258064159 /nfs/dbraw/zinc/06/41/59/258064159.db2.gz NUKJZUSNAXNDJH-BLLLJJGKSA-N 1 0 365.405 2.831 20 5 FFBDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000301813816 258069117 /nfs/dbraw/zinc/06/91/17/258069117.db2.gz ZFGXHTMMWZZMMT-CQSZACIVSA-N 1 0 369.487 2.921 20 5 FFBDRO CC(=O)c1ccc(N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c([N+](=O)[O-])c1 ZINC000301862918 258071644 /nfs/dbraw/zinc/07/16/44/258071644.db2.gz ULUREUIIFBGHQJ-JWTNVVGKSA-N 1 0 372.469 2.545 20 5 FFBDRO CC(C)C[N@@H+]1CCO[C@H](CNc2c(Br)cncc2[N+](=O)[O-])C1 ZINC000301903795 258073920 /nfs/dbraw/zinc/07/39/20/258073920.db2.gz XPRCCEXCNGLENI-LLVKDONJSA-N 1 0 373.251 2.521 20 5 FFBDRO CCc1ccc([C@H](CNc2ccc3ncc([N+](=O)[O-])n3n2)[NH+](C)C)cc1 ZINC000301940915 258076677 /nfs/dbraw/zinc/07/66/77/258076677.db2.gz UIZSNNNQGXXDAO-HNNXBMFYSA-N 1 0 354.414 2.915 20 5 FFBDRO CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCCC[C@@H]2c2ncc[nH]2)s1 ZINC000302017823 258082083 /nfs/dbraw/zinc/08/20/83/258082083.db2.gz GHZOXVNLPAPOAZ-SECBINFHSA-N 1 0 356.429 2.515 20 5 FFBDRO CC[N@@H+]1C[C@H](C)N(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000330587739 258166265 /nfs/dbraw/zinc/16/62/65/258166265.db2.gz UATMFTKVUHIFKJ-NEPJUHHUSA-N 1 0 354.838 2.601 20 5 FFBDRO CC[NH+]1C[C@@H](C)N(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@H](C)C1 ZINC000330858437 258172199 /nfs/dbraw/zinc/17/21/99/258172199.db2.gz TUTXAFPTOUMJMD-VXGBXAGGSA-N 1 0 354.838 2.601 20 5 FFBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000331488222 258188302 /nfs/dbraw/zinc/18/83/02/258188302.db2.gz KIDJATRXWSNNIC-JTQLQIEISA-N 1 0 368.231 2.632 20 5 FFBDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000332264129 258222317 /nfs/dbraw/zinc/22/23/17/258222317.db2.gz ODOMQPFAVLOSNW-KGLIPLIRSA-N 1 0 357.332 2.970 20 5 FFBDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000332343503 258226452 /nfs/dbraw/zinc/22/64/52/258226452.db2.gz SRCLUXCLRCDYFD-ZIAGYGMSSA-N 1 0 368.231 2.714 20 5 FFBDRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000332412210 258229633 /nfs/dbraw/zinc/22/96/33/258229633.db2.gz IODDUKDHQSXWRK-NYTXWWLZSA-N 1 0 360.458 2.639 20 5 FFBDRO O=C(NC1CC([NH+]2CCCCC2)C1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000373004627 512128203 /nfs/dbraw/zinc/12/82/03/512128203.db2.gz WNSCYUGCKFCCAP-UHFFFAOYSA-N 1 0 369.425 2.527 20 5 FFBDRO CC(C)[N@H+]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Br)[C@@H](C)C1 ZINC000161340500 509104093 /nfs/dbraw/zinc/10/40/93/509104093.db2.gz XVFITMASNUQPND-HZMBPMFUSA-N 1 0 370.247 2.816 20 5 FFBDRO CC[N@H+](CCc1ccccc1)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000052968726 506288398 /nfs/dbraw/zinc/28/83/98/506288398.db2.gz SMLXOPYBRLYYLU-UHFFFAOYSA-N 1 0 371.393 2.827 20 5 FFBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000065675139 506342938 /nfs/dbraw/zinc/34/29/38/506342938.db2.gz LRWSJRJSWLXWFO-GJZGRUSLSA-N 1 0 371.441 2.631 20 5 FFBDRO COc1cc(C[NH2+][C@H]2CCc3cnn(C(C)C)c3C2)c([N+](=O)[O-])cc1O ZINC000377246399 512183427 /nfs/dbraw/zinc/18/34/27/512183427.db2.gz TXGMBFGGTVVHRJ-AWEZNQCLSA-N 1 0 360.414 2.734 20 5 FFBDRO Cn1ccnc1[C@H]1CCC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000377262652 512190534 /nfs/dbraw/zinc/19/05/34/512190534.db2.gz QGMFMQPBXYAPGZ-AWEZNQCLSA-N 1 0 368.397 2.758 20 5 FFBDRO O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC2(C1)CC[NH2+]CC2 ZINC000373141377 512190618 /nfs/dbraw/zinc/19/06/18/512190618.db2.gz VDDZVTASDSAELA-UHFFFAOYSA-N 1 0 372.450 2.934 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000366802080 512192421 /nfs/dbraw/zinc/19/24/21/512192421.db2.gz GNLHWHALBRBYRA-MRXNPFEDSA-N 1 0 361.442 2.759 20 5 FFBDRO CCN(C(=O)c1ccc([N+](=O)[O-])cn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000375209496 512212824 /nfs/dbraw/zinc/21/28/24/512212824.db2.gz FXZVIVXIMFUXBS-QGZVFWFLSA-N 1 0 354.410 2.726 20 5 FFBDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3ccnn3-c3ccccc3)CC2)n1 ZINC000369084438 512220023 /nfs/dbraw/zinc/22/00/23/512220023.db2.gz MOBSMDAKMVQEKW-UHFFFAOYSA-N 1 0 352.398 2.814 20 5 FFBDRO C[C@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000053698824 506433266 /nfs/dbraw/zinc/43/32/66/506433266.db2.gz SVROPQDVIKZSNF-AWEZNQCLSA-N 1 0 369.487 2.525 20 5 FFBDRO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1ccc([N+](=O)[O-])cc1F ZINC000054763327 506616793 /nfs/dbraw/zinc/61/67/93/506616793.db2.gz FNSRLKZQCBTVDA-UHFFFAOYSA-N 1 0 357.385 2.912 20 5 FFBDRO C[C@H]1CCCN(c2ccc(C(=O)NCC[N@H+](C)C3CC3)cc2[N+](=O)[O-])C1 ZINC000066924709 506696760 /nfs/dbraw/zinc/69/67/60/506696760.db2.gz MKINPQJPYYENHN-AWEZNQCLSA-N 1 0 360.458 2.655 20 5 FFBDRO COc1cc(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000043084472 506697615 /nfs/dbraw/zinc/69/76/15/506697615.db2.gz AWFLGCMRDCYZSJ-STQMWFEESA-N 1 0 365.430 2.605 20 5 FFBDRO C[C@@H](CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)[N@@H+]1CCCC[C@H]1C ZINC000067052668 506738386 /nfs/dbraw/zinc/73/83/86/506738386.db2.gz AMUZZHSQNJOKRY-CABCVRRESA-N 1 0 371.441 2.773 20 5 FFBDRO C[C@@H](CNC(=O)NCCNc1ccccc1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1C ZINC000043893369 506797940 /nfs/dbraw/zinc/79/79/40/506797940.db2.gz YVLAJYWKCWZAKZ-GJZGRUSLSA-N 1 0 363.462 2.569 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000045465039 506971688 /nfs/dbraw/zinc/97/16/88/506971688.db2.gz BKTGTLFTYXDQOJ-CQSZACIVSA-N 1 0 369.421 2.780 20 5 FFBDRO COc1ccc(CC(=O)NCCCC[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000067907353 507048518 /nfs/dbraw/zinc/04/85/18/507048518.db2.gz DBEQRJQNTSDTMC-UHFFFAOYSA-N 1 0 363.458 2.774 20 5 FFBDRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000068085445 507105396 /nfs/dbraw/zinc/10/53/96/507105396.db2.gz FWOHDACXEMKQFC-HOTGVXAUSA-N 1 0 363.458 2.848 20 5 FFBDRO COc1ccc(CC(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000068111158 507116060 /nfs/dbraw/zinc/11/60/60/507116060.db2.gz XZNSYXPEUAOVLI-KUHUBIRLSA-N 1 0 363.458 2.773 20 5 FFBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000068184700 507140437 /nfs/dbraw/zinc/14/04/37/507140437.db2.gz XEAPLLMVNNIJCA-LJQANCHMSA-N 1 0 369.421 2.754 20 5 FFBDRO CC(C)C[C@@H](CNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])[NH+](C)C ZINC000068270690 507168767 /nfs/dbraw/zinc/16/87/67/507168767.db2.gz UQIYGMGOUWRIEE-HNNXBMFYSA-N 1 0 373.457 2.948 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000068359508 507200313 /nfs/dbraw/zinc/20/03/13/507200313.db2.gz SJMFTISOCLWLCK-LBPRGKRZSA-N 1 0 367.833 2.570 20 5 FFBDRO C[C@@H]1CCC[N@H+](CCNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000047145500 507272956 /nfs/dbraw/zinc/27/29/56/507272956.db2.gz NAXRHTMFLZTZFN-MRXNPFEDSA-N 1 0 374.485 2.659 20 5 FFBDRO C[C@H]1CCCC[N@@H+]1CCNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000047142616 507273218 /nfs/dbraw/zinc/27/32/18/507273218.db2.gz NJUAWBQCDYHFFV-INIZCTEOSA-N 1 0 374.485 2.802 20 5 FFBDRO C[C@@H](CNC(=O)NCCOc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC[C@@H]1C ZINC000069066683 507393809 /nfs/dbraw/zinc/39/38/09/507393809.db2.gz BPVXPQAVXJYHPG-GJZGRUSLSA-N 1 0 364.446 2.536 20 5 FFBDRO O=[N+]([O-])c1cc(F)ccc1NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000025280620 507481691 /nfs/dbraw/zinc/48/16/91/507481691.db2.gz UOKPULFUUWBUGZ-UHFFFAOYSA-N 1 0 358.417 2.964 20 5 FFBDRO Nc1c(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)cc(F)cc1[N+](=O)[O-] ZINC000048312503 507499952 /nfs/dbraw/zinc/49/99/52/507499952.db2.gz IBOGOHGWKVKALQ-KRWDZBQOSA-N 1 0 372.400 2.883 20 5 FFBDRO CCCN(CC[NH+](CC)CC)C(=O)c1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000410702992 512344218 /nfs/dbraw/zinc/34/42/18/512344218.db2.gz HCIOJZCWEDLOIA-UHFFFAOYSA-N 1 0 355.410 2.937 20 5 FFBDRO COCC[N@@H+]1CCCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 ZINC000048426749 507521323 /nfs/dbraw/zinc/52/13/23/507521323.db2.gz VUGSSOPFGHHPAE-UHFFFAOYSA-N 1 0 363.458 2.687 20 5 FFBDRO C[C@@H](CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)[N@@H+]1CCCC[C@@H]1C ZINC000049749595 507637202 /nfs/dbraw/zinc/63/72/02/507637202.db2.gz RHYXEHMYWZMXIX-GJZGRUSLSA-N 1 0 371.441 2.773 20 5 FFBDRO C[N@H+](CCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000028049756 507706780 /nfs/dbraw/zinc/70/67/80/507706780.db2.gz FLAGTCKBHCXWBN-UHFFFAOYSA-N 1 0 355.460 2.528 20 5 FFBDRO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000051051066 507727549 /nfs/dbraw/zinc/72/75/49/507727549.db2.gz YRLXKXFDNLTPGN-HZPDHXFCSA-N 1 0 363.458 2.990 20 5 FFBDRO Cc1ccc([C@@H](CNC(=O)CNc2ccccc2[N+](=O)[O-])[NH+]2CCCC2)o1 ZINC000072072539 507745254 /nfs/dbraw/zinc/74/52/54/507745254.db2.gz IYTFBVGFHFEEJI-QGZVFWFLSA-N 1 0 372.425 2.861 20 5 FFBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000063710512 507762435 /nfs/dbraw/zinc/76/24/35/507762435.db2.gz GQVFQIRSHVJVGU-CQSZACIVSA-N 1 0 351.472 2.924 20 5 FFBDRO O=C(NC1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1)c1ccccc1 ZINC000051503097 507773567 /nfs/dbraw/zinc/77/35/67/507773567.db2.gz UBFCHXRAGYKRRY-UHFFFAOYSA-N 1 0 369.421 2.868 20 5 FFBDRO COc1ccc(C[NH+]2CCC(C(=O)N3CCCCC3)CC2)cc1[N+](=O)[O-] ZINC000051560551 507775084 /nfs/dbraw/zinc/77/50/84/507775084.db2.gz OGGQQMSUEWJCHI-UHFFFAOYSA-N 1 0 361.442 2.828 20 5 FFBDRO C[C@H]1C[NH+](Cc2ccc(CNc3c([N+](=O)[O-])ncn3C)cc2)C[C@H](C)O1 ZINC000030001612 507799523 /nfs/dbraw/zinc/79/95/23/507799523.db2.gz VHKYEUOYNSINSZ-KBPBESRZSA-N 1 0 359.430 2.550 20 5 FFBDRO CCCCN(C)C(=O)C1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000052187188 507801450 /nfs/dbraw/zinc/80/14/50/507801450.db2.gz XFAHASIFFUXUQX-UHFFFAOYSA-N 1 0 363.458 2.944 20 5 FFBDRO Cc1c(NC(=O)c2cccc(CN3CC[NH+](C)CC3)c2)cccc1[N+](=O)[O-] ZINC000072795046 507853805 /nfs/dbraw/zinc/85/38/05/507853805.db2.gz YGWPRNOUFLCRMV-UHFFFAOYSA-N 1 0 368.437 2.903 20 5 FFBDRO CCOC(=O)c1ccnc(NCCC2CC[NH+](CC)CC2)c1[N+](=O)[O-] ZINC000078401549 507868379 /nfs/dbraw/zinc/86/83/79/507868379.db2.gz FBWMPTKMHXHDBB-UHFFFAOYSA-N 1 0 350.419 2.700 20 5 FFBDRO CC(C)NC(=O)C[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000078421922 507870013 /nfs/dbraw/zinc/87/00/13/507870013.db2.gz RFFLONFCZWORFJ-UHFFFAOYSA-N 1 0 356.426 2.977 20 5 FFBDRO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)c3cc([N+](=O)[O-])c[nH]3)cc2)C1 ZINC000072932660 507874312 /nfs/dbraw/zinc/87/43/12/507874312.db2.gz PVNXQBYEKJDGDI-ZDUSSCGKSA-N 1 0 358.398 2.896 20 5 FFBDRO CNC(=O)c1ccc(N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000078506447 507877827 /nfs/dbraw/zinc/87/78/27/507877827.db2.gz ARSUSXYKLIYTHI-KRWDZBQOSA-N 1 0 368.437 2.665 20 5 FFBDRO CN(C)c1cccc(C[N@H+](C)[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c1 ZINC000089923394 507884324 /nfs/dbraw/zinc/88/43/24/507884324.db2.gz ODFLULWFXRFLCB-IBGZPJMESA-N 1 0 368.437 2.898 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCC[C@@H](Cn4ccnn4)C3)co2)cc1 ZINC000089934669 507887477 /nfs/dbraw/zinc/88/74/77/507887477.db2.gz OCSMXLPDTKZZDY-CQSZACIVSA-N 1 0 368.397 2.754 20 5 FFBDRO Cc1cnc(N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000078658776 507894125 /nfs/dbraw/zinc/89/41/25/507894125.db2.gz OFAYXEZAALURDK-KRWDZBQOSA-N 1 0 355.442 2.699 20 5 FFBDRO Cc1c([C@H](C)[NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)cccc1[N+](=O)[O-] ZINC000090231685 507916290 /nfs/dbraw/zinc/91/62/90/507916290.db2.gz DWBSLAUQOPONFG-ZDUSSCGKSA-N 1 0 367.471 2.510 20 5 FFBDRO CCC[C@H]([NH2+][C@H]1CCc2nc(COC)nn2C1)c1cccc([N+](=O)[O-])c1 ZINC000090393701 507917285 /nfs/dbraw/zinc/91/72/85/507917285.db2.gz OKKVWFNDSLHZGO-HOCLYGCPSA-N 1 0 359.430 2.779 20 5 FFBDRO Cc1ccc(C)c(OC2CC[NH+](CCn3cc([N+](=O)[O-])ccc3=O)CC2)c1 ZINC000090519237 507925431 /nfs/dbraw/zinc/92/54/31/507925431.db2.gz WJDKNBAJHOAORC-UHFFFAOYSA-N 1 0 371.437 2.917 20 5 FFBDRO CCO[C@@H]1C[C@@H]([N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)C12CCCCC2 ZINC000090550707 507926806 /nfs/dbraw/zinc/92/68/06/507926806.db2.gz ZBNMUCQQFWEKKQ-IAGOWNOFSA-N 1 0 363.458 2.816 20 5 FFBDRO C[C@H]([NH2+]C[C@H]1C[C@H](O)CN1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000090914346 507939378 /nfs/dbraw/zinc/93/93/78/507939378.db2.gz PKRRSCKNVQNFPO-BEVDRBHNSA-N 1 0 355.438 2.881 20 5 FFBDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000110975336 508062086 /nfs/dbraw/zinc/06/20/86/508062086.db2.gz QZSNUOHCNXDDLR-AWEZNQCLSA-N 1 0 365.478 2.543 20 5 FFBDRO COc1cc(CN2CC[NH2+][C@H](C)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000092457264 508071911 /nfs/dbraw/zinc/07/19/11/508071911.db2.gz NTIWCOZGKAXXKY-OAHLLOKOSA-N 1 0 371.437 2.976 20 5 FFBDRO COc1ccc(CN2CC[NH2+][C@@H](C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000092455184 508072058 /nfs/dbraw/zinc/07/20/58/508072058.db2.gz NMHUSEWQPAGVMI-HNNXBMFYSA-N 1 0 371.437 2.976 20 5 FFBDRO C[C@@H](CNC(=O)NCCc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1ccccc1 ZINC000111475319 508102686 /nfs/dbraw/zinc/10/26/86/508102686.db2.gz LKCKBEAGPDCACX-INIZCTEOSA-N 1 0 370.453 2.957 20 5 FFBDRO CCC(CC)(CNC(=O)Cn1ccc([N+](=O)[O-])n1)[NH2+][C@H](C)c1ccccc1 ZINC000111635127 508112422 /nfs/dbraw/zinc/11/24/22/508112422.db2.gz OKUWHJBQIXTYIT-OAHLLOKOSA-N 1 0 373.457 2.817 20 5 FFBDRO Cn1cc(C[C@@H]2CC[N@H+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)C2)cn1 ZINC000093870630 508158360 /nfs/dbraw/zinc/15/83/60/508158360.db2.gz PLRITPUOJKYHKL-LBPRGKRZSA-N 1 0 366.368 2.994 20 5 FFBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000081334419 508164131 /nfs/dbraw/zinc/16/41/31/508164131.db2.gz WBUYQAOSMPIBGI-ZDUSSCGKSA-N 1 0 353.850 2.981 20 5 FFBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000081361074 508167030 /nfs/dbraw/zinc/16/70/30/508167030.db2.gz WHWZCDYLAIEFOE-OAHLLOKOSA-N 1 0 371.441 2.584 20 5 FFBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000081363502 508167646 /nfs/dbraw/zinc/16/76/46/508167646.db2.gz OOONOZNWUXXEBQ-MRXNPFEDSA-N 1 0 362.474 2.977 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[C@H](C)C1 ZINC000076487385 508212793 /nfs/dbraw/zinc/21/27/93/508212793.db2.gz PVVZUHJTUQOXJL-MLGOLLRUSA-N 1 0 353.850 2.979 20 5 FFBDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000083057311 508235385 /nfs/dbraw/zinc/23/53/85/508235385.db2.gz KGSXZWGWYCOAMJ-INIZCTEOSA-N 1 0 350.419 2.559 20 5 FFBDRO CC(C)[N@H+](CCCN1C(=O)NC(C)(C)C1=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000098135242 508236400 /nfs/dbraw/zinc/23/64/00/508236400.db2.gz NNLAHPBQBTVBKO-UHFFFAOYSA-N 1 0 362.430 2.526 20 5 FFBDRO COc1cc(C(=O)N(CC[NH+](C)C)Cc2cccs2)ccc1[N+](=O)[O-] ZINC000084250396 508271394 /nfs/dbraw/zinc/27/13/94/508271394.db2.gz PJBNSGCYZCUVSF-UHFFFAOYSA-N 1 0 363.439 2.869 20 5 FFBDRO C[NH+](C)Cc1cccc(CNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000087035924 508333073 /nfs/dbraw/zinc/33/30/73/508333073.db2.gz HEGRBYPFGWVXDC-UHFFFAOYSA-N 1 0 368.437 2.924 20 5 FFBDRO C[NH+](C)C[C@@H]1CCCCN1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000104412480 508334433 /nfs/dbraw/zinc/33/44/33/508334433.db2.gz HTOQBXKCJYDADB-KRWDZBQOSA-N 1 0 374.485 2.754 20 5 FFBDRO C[C@H]1C[NH+](CCCCNC(=O)CCc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000087496384 508353996 /nfs/dbraw/zinc/35/39/96/508353996.db2.gz JBERROLAONFJBL-HOTGVXAUSA-N 1 0 363.458 2.533 20 5 FFBDRO COc1ccc(-c2ccc(C[NH2+]CCc3nc(C)no3)o2)c([N+](=O)[O-])c1 ZINC000105469353 508373354 /nfs/dbraw/zinc/37/33/54/508373354.db2.gz WLLWMQDGIMFNER-UHFFFAOYSA-N 1 0 358.354 2.887 20 5 FFBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2cc(C)cc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000115273564 508380659 /nfs/dbraw/zinc/38/06/59/508380659.db2.gz YYJPGCHXYXKSNE-QAPCUYQASA-N 1 0 363.458 2.770 20 5 FFBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000077839476 508383452 /nfs/dbraw/zinc/38/34/52/508383452.db2.gz UBUTYLMVLWRSAM-SFHVURJKSA-N 1 0 360.458 2.797 20 5 FFBDRO C[NH+](C)CC[C@H](NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)C(C)(C)C ZINC000116131083 508476410 /nfs/dbraw/zinc/47/64/10/508476410.db2.gz XSNOGFVRTGESDJ-KRWDZBQOSA-N 1 0 373.457 2.877 20 5 FFBDRO COc1ccccc1C[C@H]1CCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000116163520 508480780 /nfs/dbraw/zinc/48/07/80/508480780.db2.gz BALUMBFQKDXASZ-QGZVFWFLSA-N 1 0 369.421 2.909 20 5 FFBDRO COC(=O)c1ccc(-c2ccc(C[NH2+]CCn3cc([N+](=O)[O-])cn3)o2)cc1 ZINC000152774151 508513286 /nfs/dbraw/zinc/51/32/86/508513286.db2.gz CJWWANQZJFVPRJ-UHFFFAOYSA-N 1 0 370.365 2.628 20 5 FFBDRO CC(C)C[NH+]1CCC(NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)CC1 ZINC000122418518 508531976 /nfs/dbraw/zinc/53/19/76/508531976.db2.gz NXRRQHCIHDRWGC-UHFFFAOYSA-N 1 0 360.458 2.783 20 5 FFBDRO O=C(NC1CC1)[C@@H](c1ccccc1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153115645 508548899 /nfs/dbraw/zinc/54/88/99/508548899.db2.gz YTZRCNPSXDJPIB-LJQANCHMSA-N 1 0 351.406 2.973 20 5 FFBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000116732713 508552045 /nfs/dbraw/zinc/55/20/45/508552045.db2.gz ZWGMACUNTOKVGK-LBPRGKRZSA-N 1 0 367.833 2.618 20 5 FFBDRO CC[N@@H+]1CCC[C@H](NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000116753275 508554874 /nfs/dbraw/zinc/55/48/74/508554874.db2.gz UCECSGNCYOHMAP-ZDUSSCGKSA-N 1 0 355.822 2.618 20 5 FFBDRO CN(C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C)C1 ZINC000153476467 508587209 /nfs/dbraw/zinc/58/72/09/508587209.db2.gz AWTDMUQBEOMZNC-CYBMUJFWSA-N 1 0 355.822 2.570 20 5 FFBDRO C[N@H+](CCNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)Cc1ccccc1 ZINC000122846153 508595941 /nfs/dbraw/zinc/59/59/41/508595941.db2.gz UUXICDQYYUDEEN-UHFFFAOYSA-N 1 0 368.437 2.795 20 5 FFBDRO COc1cc(NCc2ccnc(OCC[NH+](C)C)c2)c([N+](=O)[O-])cc1F ZINC000135381870 508596564 /nfs/dbraw/zinc/59/65/64/508596564.db2.gz CLFAZCADQXLEBA-UHFFFAOYSA-N 1 0 364.377 2.690 20 5 FFBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000122850773 508597158 /nfs/dbraw/zinc/59/71/58/508597158.db2.gz GZGJXTPFIALDKQ-OAHLLOKOSA-N 1 0 371.441 2.584 20 5 FFBDRO COCc1cc([N+](=O)[O-])ccc1NCc1ccnc(OCC[NH+](C)C)c1 ZINC000135388340 508597589 /nfs/dbraw/zinc/59/75/89/508597589.db2.gz WZJAXGPRDOQFKX-UHFFFAOYSA-N 1 0 360.414 2.689 20 5 FFBDRO Cc1ccc(NC(=O)NCc2ccnc(OCC[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000128537133 508607018 /nfs/dbraw/zinc/60/70/18/508607018.db2.gz QUWJJRQCUMGYAO-UHFFFAOYSA-N 1 0 373.413 2.560 20 5 FFBDRO NC(=O)COc1cccc(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000128776556 508642354 /nfs/dbraw/zinc/64/23/54/508642354.db2.gz PYFDRGVZANGIOS-SFHVURJKSA-N 1 0 369.421 2.570 20 5 FFBDRO CCCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000153774971 508645885 /nfs/dbraw/zinc/64/58/85/508645885.db2.gz TWUUVTZSDWJKBG-HFTRVMKXSA-N 1 0 363.458 2.645 20 5 FFBDRO COc1ccc(C[NH+]2CCC(C(=O)N[C@H](C)C(C)C)CC2)cc1[N+](=O)[O-] ZINC000153796762 508651037 /nfs/dbraw/zinc/65/10/37/508651037.db2.gz CBEZFRIUWCASDH-CQSZACIVSA-N 1 0 363.458 2.976 20 5 FFBDRO CCOC(=O)C1CC[NH+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000158068900 508652874 /nfs/dbraw/zinc/65/28/74/508652874.db2.gz MCSMWROGDNOOHH-UHFFFAOYSA-N 1 0 372.425 2.770 20 5 FFBDRO COc1cc(C[NH2+][C@H](C)[C@@H](C)CO)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000123216425 508653744 /nfs/dbraw/zinc/65/37/44/508653744.db2.gz MMDZLICPBRLMTO-VHSXEESVSA-N 1 0 366.336 2.651 20 5 FFBDRO COc1cc[nH+]c(N2CCN(C(=O)Nc3ccc([N+](=O)[O-])c(C)c3)CC2)c1 ZINC000153843117 508661284 /nfs/dbraw/zinc/66/12/84/508661284.db2.gz PSWXEHLCSIYZFC-UHFFFAOYSA-N 1 0 371.397 2.661 20 5 FFBDRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000128962194 508664410 /nfs/dbraw/zinc/66/44/10/508664410.db2.gz BTPHKWUNBPLHDM-HNNXBMFYSA-N 1 0 373.457 2.701 20 5 FFBDRO CCC[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)CC[N@@H+]1CCOC ZINC000153866217 508665876 /nfs/dbraw/zinc/66/58/76/508665876.db2.gz HZGJZYCLIZDYPQ-MRXNPFEDSA-N 1 0 364.446 2.868 20 5 FFBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])c4cccnc34)CC[C@@H]21 ZINC000158468087 508708359 /nfs/dbraw/zinc/70/83/59/508708359.db2.gz DHWCIFDAUQDTRA-BBRMVZONSA-N 1 0 354.410 2.699 20 5 FFBDRO Cc1sc(S(=O)(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000123870839 508750194 /nfs/dbraw/zinc/75/01/94/508750194.db2.gz BDYHJSUSGMBXPF-CYBMUJFWSA-N 1 0 373.500 2.604 20 5 FFBDRO COc1ccc(C(=O)N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000137485141 508758747 /nfs/dbraw/zinc/75/87/47/508758747.db2.gz OEGGFTCSDLVUIT-WMLDXEAASA-N 1 0 369.421 2.996 20 5 FFBDRO C[C@@H](Cc1ccc(O)cc1)[N@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000138375598 508773009 /nfs/dbraw/zinc/77/30/09/508773009.db2.gz ICQHNMGZEHVNLF-AWEZNQCLSA-N 1 0 357.410 2.826 20 5 FFBDRO Cn1cc(Br)cc1C[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154449298 508787092 /nfs/dbraw/zinc/78/70/92/508787092.db2.gz SSZSRSYRAZQEBK-HNNXBMFYSA-N 1 0 368.231 2.861 20 5 FFBDRO C[NH+](C)CCn1ccc(NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000159344888 508828211 /nfs/dbraw/zinc/82/82/11/508828211.db2.gz KVJGBDHWZDDSRH-UHFFFAOYSA-N 1 0 372.429 2.549 20 5 FFBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000119769104 508858995 /nfs/dbraw/zinc/85/89/95/508858995.db2.gz AFZKVOPMXUGHAO-KXBFYZLASA-N 1 0 369.421 2.610 20 5 FFBDRO O=C(Nc1ccncc1[N+](=O)[O-])NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000124674527 508867384 /nfs/dbraw/zinc/86/73/84/508867384.db2.gz NBYSWOVIKVLACL-UHFFFAOYSA-N 1 0 373.388 2.915 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000124761520 508881357 /nfs/dbraw/zinc/88/13/57/508881357.db2.gz MQRWBRBJFABAIL-UHFFFAOYSA-N 1 0 354.410 2.693 20 5 FFBDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000150779572 508892102 /nfs/dbraw/zinc/89/21/02/508892102.db2.gz RVDGTXLWEPXHKK-CYBMUJFWSA-N 1 0 351.422 2.903 20 5 FFBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+](Cc1ccccc1)CC1CCOCC1 ZINC000159815115 508895520 /nfs/dbraw/zinc/89/55/20/508895520.db2.gz VOMGXSQTZSAFFN-UHFFFAOYSA-N 1 0 371.437 2.685 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000119971388 508901442 /nfs/dbraw/zinc/90/14/42/508901442.db2.gz YPQCUCYSMNWCHT-HNNXBMFYSA-N 1 0 364.446 2.786 20 5 FFBDRO O=C(NCC[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1Br ZINC000159890982 508907860 /nfs/dbraw/zinc/90/78/60/508907860.db2.gz PULVHFBMRJNVEB-UHFFFAOYSA-N 1 0 356.220 2.573 20 5 FFBDRO CCC[C@@H]1CN(c2cc(OC)c([N+](=O)[O-])cc2F)CC[N@@H+]1CCOC ZINC000120149172 508938059 /nfs/dbraw/zinc/93/80/59/508938059.db2.gz FEJIOHIDKRZIPV-CYBMUJFWSA-N 1 0 355.410 2.680 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000160175037 508949991 /nfs/dbraw/zinc/94/99/91/508949991.db2.gz IRYLDCWMAJDDFO-OAHLLOKOSA-N 1 0 367.471 2.542 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C[C@H]3CCCS3(=O)=O)o2)c1 ZINC000131769390 508968462 /nfs/dbraw/zinc/96/84/62/508968462.db2.gz GWPYFZNZKPUPQR-OAHLLOKOSA-N 1 0 350.396 2.522 20 5 FFBDRO [NH3+]C[C@@H]1CCCN1C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000160369189 508976825 /nfs/dbraw/zinc/97/68/25/508976825.db2.gz YQSBOMHSNPTLBC-INIZCTEOSA-N 1 0 354.410 2.770 20 5 FFBDRO CC[N@H+](CCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1)C(C)C ZINC000120368651 508981874 /nfs/dbraw/zinc/98/18/74/508981874.db2.gz NQZCXXXATVZTAJ-UHFFFAOYSA-N 1 0 358.236 2.817 20 5 FFBDRO CCOC(=O)c1ccnc(N2CCC[C@H]2C[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000160440701 508987575 /nfs/dbraw/zinc/98/75/75/508987575.db2.gz GRNXWTWTIZZVHX-AWEZNQCLSA-N 1 0 362.430 2.621 20 5 FFBDRO CCC([NH3+])(CC)CNC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 ZINC000160472427 508991692 /nfs/dbraw/zinc/99/16/92/508991692.db2.gz WNWAOISMNOJBSV-UHFFFAOYSA-N 1 0 373.457 2.704 20 5 FFBDRO C[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 ZINC000120628019 509035208 /nfs/dbraw/zinc/03/52/08/509035208.db2.gz AWHPVZAFUGACKI-GFCCVEGCSA-N 1 0 357.366 2.655 20 5 FFBDRO C[NH+](C)CCN(Cc1ccco1)C(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000160968279 509054759 /nfs/dbraw/zinc/05/47/59/509054759.db2.gz KNCDTDRNVATFOX-UHFFFAOYSA-N 1 0 353.325 2.670 20 5 FFBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000120858363 509077574 /nfs/dbraw/zinc/07/75/74/509077574.db2.gz SWEPWGIIYBXFLQ-LLVKDONJSA-N 1 0 356.220 2.524 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H](O)CN1CCc2ccccc2C1 ZINC000151787570 509082548 /nfs/dbraw/zinc/08/25/48/509082548.db2.gz BYMUIIKQIIOLGS-OXQOHEQNSA-N 1 0 369.465 2.973 20 5 FFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCN(c2ccccn2)C1 ZINC000161449311 509116640 /nfs/dbraw/zinc/11/66/40/509116640.db2.gz IXHSDOPLKWKGJD-KGLIPLIRSA-N 1 0 372.450 2.866 20 5 FFBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000161549413 509127997 /nfs/dbraw/zinc/12/79/97/509127997.db2.gz RYBZKSXVFPXOOQ-LLVKDONJSA-N 1 0 370.247 2.962 20 5 FFBDRO C[NH+](C)[C@@H](CNC(=O)CCNc1ccccc1[N+](=O)[O-])c1cccs1 ZINC000248021788 509218831 /nfs/dbraw/zinc/21/88/31/509218831.db2.gz RJJWCNQVZGCZAK-HNNXBMFYSA-N 1 0 362.455 2.877 20 5 FFBDRO COc1cccc(F)c1[C@H](C)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182434486 509236141 /nfs/dbraw/zinc/23/61/41/509236141.db2.gz LONQOHWBDZBDDI-STQMWFEESA-N 1 0 364.373 2.833 20 5 FFBDRO COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000162525376 509244867 /nfs/dbraw/zinc/24/48/67/509244867.db2.gz LUNNQGYGJQXFQT-CVEARBPZSA-N 1 0 363.414 2.635 20 5 FFBDRO Cn1cnc([N+](=O)[O-])c1Nc1ccc(N2CCC([NH+](C)C)CC2)c(F)c1 ZINC000263976826 509259982 /nfs/dbraw/zinc/25/99/82/509259982.db2.gz DHKLZZUWYANOIA-UHFFFAOYSA-N 1 0 362.409 2.741 20 5 FFBDRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000185629834 509273661 /nfs/dbraw/zinc/27/36/61/509273661.db2.gz HNRIRYBHDUHCPZ-VIFPVBQESA-N 1 0 360.340 2.518 20 5 FFBDRO C[NH+](C)CCn1ccc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 ZINC000172924823 509310705 /nfs/dbraw/zinc/31/07/05/509310705.db2.gz DZVHFAOICAJVDM-UHFFFAOYSA-N 1 0 371.319 2.624 20 5 FFBDRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000176125125 509334752 /nfs/dbraw/zinc/33/47/52/509334752.db2.gz FSOHPCSCMDFVGZ-UHFFFAOYSA-N 1 0 368.437 2.914 20 5 FFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000267094592 509344150 /nfs/dbraw/zinc/34/41/50/509344150.db2.gz JDJFLUPTCZYXEQ-WBMJQRKESA-N 1 0 369.512 2.629 20 5 FFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000267094584 509344268 /nfs/dbraw/zinc/34/42/68/509344268.db2.gz JDJFLUPTCZYXEQ-BLLLJJGKSA-N 1 0 369.512 2.629 20 5 FFBDRO C[C@@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185766434 509346189 /nfs/dbraw/zinc/34/61/89/509346189.db2.gz QYARXUCIYQMNAB-HZPDHXFCSA-N 1 0 374.485 2.800 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCC(c3ccc(Cl)cc3)CC2)c1 ZINC000185785856 509354554 /nfs/dbraw/zinc/35/45/54/509354554.db2.gz UMGORLCEDJOTTN-KRWDZBQOSA-N 1 0 364.833 2.685 20 5 FFBDRO C[C@H]1C[C@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)C[N@@H+]1C1CC1 ZINC000185837976 509378838 /nfs/dbraw/zinc/37/88/38/509378838.db2.gz JNIJYKWZJMJAOO-JQWIXIFHSA-N 1 0 352.822 2.673 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)NCC[NH+]2CCCCC2)cc1SC ZINC000264215087 509388195 /nfs/dbraw/zinc/38/81/95/509388195.db2.gz VFWHDIBDPBCHEU-UHFFFAOYSA-N 1 0 353.444 2.541 20 5 FFBDRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000185858295 509390841 /nfs/dbraw/zinc/39/08/41/509390841.db2.gz FCOBEKFUDLGRNR-ABAIWWIYSA-N 1 0 354.838 2.776 20 5 FFBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000248683253 509434789 /nfs/dbraw/zinc/43/47/89/509434789.db2.gz XPNPTLODYMICHQ-HOCLYGCPSA-N 1 0 371.441 2.594 20 5 FFBDRO CCNC(=O)COc1cccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000267431785 509478340 /nfs/dbraw/zinc/47/83/40/509478340.db2.gz MWQOXGALFPUIND-CQSZACIVSA-N 1 0 357.410 2.961 20 5 FFBDRO CC[NH2+]CC1CCN(C(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000237025651 509553838 /nfs/dbraw/zinc/55/38/38/509553838.db2.gz YQVQRVWSPPQWBF-LBPRGKRZSA-N 1 0 369.849 2.864 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2Cc3ccccc3C3(CC3)C2)c1 ZINC000186169446 509556789 /nfs/dbraw/zinc/55/67/89/509556789.db2.gz LWUJOKVFJHTARR-KRWDZBQOSA-N 1 0 354.406 2.882 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2Cc3ccccc3C3(CC3)C2)c1 ZINC000186169466 509557384 /nfs/dbraw/zinc/55/73/84/509557384.db2.gz LWUJOKVFJHTARR-QGZVFWFLSA-N 1 0 354.406 2.882 20 5 FFBDRO C[NH2+]CC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)CC1 ZINC000237069846 509563892 /nfs/dbraw/zinc/56/38/92/509563892.db2.gz KDEBMBUBLRRXQZ-UHFFFAOYSA-N 1 0 374.485 2.903 20 5 FFBDRO COc1ccc(OCC[N@H+](CCO)[C@@H]2CCc3ccccc32)c([N+](=O)[O-])c1 ZINC000173386647 509567830 /nfs/dbraw/zinc/56/78/30/509567830.db2.gz ZPLRIMGHVVYNNN-GOSISDBHSA-N 1 0 372.421 2.964 20 5 FFBDRO [NH3+][C@H]1CCCCCC[C@@H]1C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000165538279 509574126 /nfs/dbraw/zinc/57/41/26/509574126.db2.gz POSDZTULTKQWIZ-ROUUACIJSA-N 1 0 360.458 2.541 20 5 FFBDRO O=C(C1CC[NH+](C2CC2)CC1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000192635170 509574417 /nfs/dbraw/zinc/57/44/17/509574417.db2.gz DDXIQXQIUYTRPB-UHFFFAOYSA-N 1 0 373.453 2.839 20 5 FFBDRO C[C@H](CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)C[NH+]1CCCC1 ZINC000189449968 509581228 /nfs/dbraw/zinc/58/12/28/509581228.db2.gz IMELLEWIYHXZGJ-OAHLLOKOSA-N 1 0 360.458 2.975 20 5 FFBDRO C[NH2+]C1CCN(C(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)CC1 ZINC000237147423 509581453 /nfs/dbraw/zinc/58/14/53/509581453.db2.gz LMXSLIGFBXIDHS-UHFFFAOYSA-N 1 0 360.458 2.655 20 5 FFBDRO CCc1n[nH]c(C(=O)N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000192670312 509590634 /nfs/dbraw/zinc/59/06/34/509590634.db2.gz RBGRPZMLHRVXEL-HNNXBMFYSA-N 1 0 371.441 2.617 20 5 FFBDRO Cc1ccccc1NC(=O)CC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173464051 509616371 /nfs/dbraw/zinc/61/63/71/509616371.db2.gz OVFAWLVXQXVXJX-HNNXBMFYSA-N 1 0 369.425 2.813 20 5 FFBDRO C[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccccc1-n1cccn1 ZINC000183135429 509620460 /nfs/dbraw/zinc/62/04/60/509620460.db2.gz HHIYHRTXFRIZJK-CYBMUJFWSA-N 1 0 365.393 2.730 20 5 FFBDRO C[NH2+]C[C@@H](C)CNC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(OC)cc1 ZINC000237326085 509623042 /nfs/dbraw/zinc/62/30/42/509623042.db2.gz GNNDUHDFWUVBMW-CYBMUJFWSA-N 1 0 373.409 2.981 20 5 FFBDRO C[C@@H]1C[NH+](CCCCNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000176684767 509639738 /nfs/dbraw/zinc/63/97/38/509639738.db2.gz FWHNOCFGKZLXJD-CHWSQXEVSA-N 1 0 369.849 2.867 20 5 FFBDRO Cc1sc(C(=O)NCCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000176691750 509644462 /nfs/dbraw/zinc/64/44/62/509644462.db2.gz OHWXDTTTXFHECE-RYUDHWBXSA-N 1 0 355.460 2.584 20 5 FFBDRO [NH3+]CCOc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)cc1 ZINC000183241039 509673445 /nfs/dbraw/zinc/67/34/45/509673445.db2.gz YAHAOTXJPVZQTB-UHFFFAOYSA-N 1 0 370.409 2.785 20 5 FFBDRO CCc1n[nH]c(C(=O)N[C@@H](C[N@H+](C)Cc2ccccc2)C(C)C)c1[N+](=O)[O-] ZINC000192904231 509692526 /nfs/dbraw/zinc/69/25/26/509692526.db2.gz ZIWXUWKQTWAGNV-INIZCTEOSA-N 1 0 373.457 2.767 20 5 FFBDRO CC[C@@]1(CO)CCC[N@@H+]1Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000189671786 509693490 /nfs/dbraw/zinc/69/34/90/509693490.db2.gz HRBXXVJMOALGAP-KRWDZBQOSA-N 1 0 374.384 2.984 20 5 FFBDRO [NH3+]CCOc1ccc(NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)cc1 ZINC000183282794 509696930 /nfs/dbraw/zinc/69/69/30/509696930.db2.gz BMAQEKWMZHHUFE-UHFFFAOYSA-N 1 0 358.398 2.763 20 5 FFBDRO C[C@@H]1CCC[N@H+](CCCCNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000189681362 509700219 /nfs/dbraw/zinc/70/02/19/509700219.db2.gz PKMZWDXRBAQODC-CQSZACIVSA-N 1 0 369.487 2.922 20 5 FFBDRO Cc1ccc(NCCCNC(=O)[C@@H](C[NH3+])c2ccccc2)c([N+](=O)[O-])c1 ZINC000237667356 509705048 /nfs/dbraw/zinc/70/50/48/509705048.db2.gz VLXDXLXVIONSRX-INIZCTEOSA-N 1 0 356.426 2.564 20 5 FFBDRO CC[C@H]1CN(C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)CC[N@@H+]1C[C@H](C)O ZINC000249575451 509715583 /nfs/dbraw/zinc/71/55/83/509715583.db2.gz ACMBOHICQJGXAA-HOCLYGCPSA-N 1 0 363.458 2.635 20 5 FFBDRO C[C@H]1C[C@H](C)CN(c2ccc(C(=O)NCC[NH2+]C3CC3)cc2[N+](=O)[O-])C1 ZINC000237713515 509718021 /nfs/dbraw/zinc/71/80/21/509718021.db2.gz JYAXPQBSPSLLFM-KBPBESRZSA-N 1 0 360.458 2.559 20 5 FFBDRO Cn1cc(C[NH2+]C2CCN(C3CC3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237751026 509727032 /nfs/dbraw/zinc/72/70/32/509727032.db2.gz YLRLTFDFYVUNTI-UHFFFAOYSA-N 1 0 355.442 2.712 20 5 FFBDRO [NH3+]C1(CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CCCCCC1 ZINC000237774286 509731377 /nfs/dbraw/zinc/73/13/77/509731377.db2.gz GAHGDAJYIDHMHD-UHFFFAOYSA-N 1 0 360.458 2.977 20 5 FFBDRO C[C@@H](NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[C@H](c1ccccc1)[NH+](C)C ZINC000186493557 509738466 /nfs/dbraw/zinc/73/84/66/509738466.db2.gz HNTLQSQNYFOSAQ-KZULUSFZSA-N 1 0 367.409 2.892 20 5 FFBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000268183524 509801766 /nfs/dbraw/zinc/80/17/66/509801766.db2.gz LXOGJEQWMGNUEF-RNCFNFMXSA-N 1 0 357.332 2.826 20 5 FFBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CC[C@H]([NH+](C)C)C3)cc2[N+](=O)[O-])C1 ZINC000170862894 509818481 /nfs/dbraw/zinc/81/84/81/509818481.db2.gz YKJFPKGKXKMEMA-UXLLHSPISA-N 1 0 374.485 2.853 20 5 FFBDRO CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])C1 ZINC000173920253 509854529 /nfs/dbraw/zinc/85/45/29/509854529.db2.gz HXCNAFBLRRGTMV-HNNXBMFYSA-N 1 0 369.487 2.564 20 5 FFBDRO CCC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)C1 ZINC000173951687 509871361 /nfs/dbraw/zinc/87/13/61/509871361.db2.gz DHVYTWRZQCLJJT-OAHLLOKOSA-N 1 0 369.487 2.564 20 5 FFBDRO C[NH+](C)[C@@H](CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)C1CCCCC1 ZINC000180418429 509917500 /nfs/dbraw/zinc/91/75/00/509917500.db2.gz UHXYMXMXBKMMFS-HNNXBMFYSA-N 1 0 363.414 2.564 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N[C@@H]3C[NH2+]CC[C@@H]3C)cc2[N+](=O)[O-])CC1 ZINC000186868128 509920231 /nfs/dbraw/zinc/92/02/31/509920231.db2.gz KGAFGAHVTUYUOU-GOEBONIOSA-N 1 0 360.458 2.559 20 5 FFBDRO COCc1ccccc1CNC(=O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180430889 509922945 /nfs/dbraw/zinc/92/29/45/509922945.db2.gz FXMFBBOGWMRUON-CQSZACIVSA-N 1 0 357.410 2.708 20 5 FFBDRO CC[NH+]1CCC(CCNC(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000174122249 509958578 /nfs/dbraw/zinc/95/85/78/509958578.db2.gz REVPOXDCVBEFDE-UHFFFAOYSA-N 1 0 350.419 2.847 20 5 FFBDRO CC1CC[NH+](CCCCNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC1 ZINC000180511726 509961117 /nfs/dbraw/zinc/96/11/17/509961117.db2.gz JZNBGCBQIYNZCV-UHFFFAOYSA-N 1 0 363.414 2.565 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000193585159 509977593 /nfs/dbraw/zinc/97/75/93/509977593.db2.gz YHIYOSQAJDWGFP-CQSZACIVSA-N 1 0 357.414 2.835 20 5 FFBDRO CC[N@@H+]1CCCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000265392539 510029389 /nfs/dbraw/zinc/02/93/89/510029389.db2.gz UAYOZOGVFJVHCH-UHFFFAOYSA-N 1 0 355.822 2.571 20 5 FFBDRO O=C(NC1CC[NH+](C2CCCC2)CC1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000177408169 510042048 /nfs/dbraw/zinc/04/20/48/510042048.db2.gz DIOMHZOGYXPMPO-UHFFFAOYSA-N 1 0 357.414 2.608 20 5 FFBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000245671291 510073236 /nfs/dbraw/zinc/07/32/36/510073236.db2.gz SEENJAHVIIGCKP-KGLIPLIRSA-N 1 0 358.442 2.855 20 5 FFBDRO O=[N+]([O-])c1ccc(OCC[NH+]2CCC(OC[C@H]3CCCO3)CC2)cc1 ZINC000177463627 510074628 /nfs/dbraw/zinc/07/46/28/510074628.db2.gz FYNWIEQQVYVGSA-GOSISDBHSA-N 1 0 350.415 2.634 20 5 FFBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000177496908 510096564 /nfs/dbraw/zinc/09/65/64/510096564.db2.gz IOCRVSAKBWJUPS-HZPDHXFCSA-N 1 0 360.458 2.798 20 5 FFBDRO CCc1n[nH]c(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000171368701 510110734 /nfs/dbraw/zinc/11/07/34/510110734.db2.gz NVWVQJGNFHLTNE-GFCCVEGCSA-N 1 0 363.443 2.509 20 5 FFBDRO C[NH+](C)CCn1ccc2ccc(NC(=O)c3c(N)cccc3[N+](=O)[O-])cc21 ZINC000180800479 510116690 /nfs/dbraw/zinc/11/66/90/510116690.db2.gz IWNXZDQFRHXFGH-UHFFFAOYSA-N 1 0 367.409 2.946 20 5 FFBDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000245754298 510130261 /nfs/dbraw/zinc/13/02/61/510130261.db2.gz UOBVZCVBKKPJBJ-LSDHHAIUSA-N 1 0 360.458 2.904 20 5 FFBDRO COc1ccc(CN2C[C@@H](C)[C@H]([NH3+])C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000261970073 510132442 /nfs/dbraw/zinc/13/24/42/510132442.db2.gz IEHVYQBCLAOAOR-RDTXWAMCSA-N 1 0 371.437 2.961 20 5 FFBDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000261993298 510141355 /nfs/dbraw/zinc/14/13/55/510141355.db2.gz PDDOOORLVJNXGE-MNOVXSKESA-N 1 0 374.363 2.611 20 5 FFBDRO CC(C)c1ccc(CN2CCCC[C@@H]2CNC(=O)CC[NH3+])cc1[N+](=O)[O-] ZINC000262057709 510162992 /nfs/dbraw/zinc/16/29/92/510162992.db2.gz QTGXAEBDKMIXDQ-MRXNPFEDSA-N 1 0 362.474 2.538 20 5 FFBDRO CN(CC[N@H+](C)C1CCN(C)CC1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000180930981 510189130 /nfs/dbraw/zinc/18/91/30/510189130.db2.gz VVJXCWPHSIAHDH-UHFFFAOYSA-N 1 0 354.882 2.706 20 5 FFBDRO O=[N+]([O-])c1ccc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c([N+](=O)[O-])c1 ZINC000194078906 510205235 /nfs/dbraw/zinc/20/52/35/510205235.db2.gz SNHQXWXIHBPPGF-CXAGYDPISA-N 1 0 360.414 2.952 20 5 FFBDRO C[C@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)[C@H]1CCC[NH2+]C1 ZINC000269186865 510280893 /nfs/dbraw/zinc/28/08/93/510280893.db2.gz JQGIHWRLVRTLKO-HOTGVXAUSA-N 1 0 363.461 2.659 20 5 FFBDRO C[C@@H](Cc1ccc(O)cc1)[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000246113271 510301404 /nfs/dbraw/zinc/30/14/04/510301404.db2.gz QEVNGRXUEHHRSN-KBXCAEBGSA-N 1 0 360.410 2.603 20 5 FFBDRO CCO[C@H]1C[C@@H](O)C12CC[NH+](CCCOc1ccc([N+](=O)[O-])cc1)CC2 ZINC000265922832 510301647 /nfs/dbraw/zinc/30/16/47/510301647.db2.gz CDYHBVVPNCZSOU-MSOLQXFVSA-N 1 0 364.442 2.616 20 5 FFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246143264 510316792 /nfs/dbraw/zinc/31/67/92/510316792.db2.gz FAEOAIPVZCWCHB-OCCSQVGLSA-N 1 0 366.849 2.745 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCCc2ccc(OCC[NH+](C)C)cc2)c1 ZINC000265991772 510345587 /nfs/dbraw/zinc/34/55/87/510345587.db2.gz BYCVSOSFVBWPGL-UHFFFAOYSA-N 1 0 371.437 2.816 20 5 FFBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1nc(C(C)(C)C)cs1 ZINC000184508923 510363823 /nfs/dbraw/zinc/36/38/23/510363823.db2.gz SOFMSOQHTYOOPR-NSHDSACASA-N 1 0 350.444 2.861 20 5 FFBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2cc(C)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000266024503 510365589 /nfs/dbraw/zinc/36/55/89/510365589.db2.gz MHOSTMVIFJYHSG-DOTOQJQBSA-N 1 0 363.458 2.770 20 5 FFBDRO C[NH+](C)CCN(C1CCCCC1)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000184640572 510435292 /nfs/dbraw/zinc/43/52/92/510435292.db2.gz GPHUQQLCFPJMIB-UHFFFAOYSA-N 1 0 369.487 2.621 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@@H](CO)c1ccccc1 ZINC000269603267 510479031 /nfs/dbraw/zinc/47/90/31/510479031.db2.gz PZHPPRQTHFRHCJ-KRWDZBQOSA-N 1 0 373.409 2.597 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(N2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)n1 ZINC000178211901 510490632 /nfs/dbraw/zinc/49/06/32/510490632.db2.gz DJILBKLPFSURLN-UHFFFAOYSA-N 1 0 369.469 2.552 20 5 FFBDRO Cc1cc(S(=O)(=O)N2CCC[C@H]2C[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000172020185 510502581 /nfs/dbraw/zinc/50/25/81/510502581.db2.gz FXJYGGZRKUKAQI-HNNXBMFYSA-N 1 0 367.471 2.542 20 5 FFBDRO Nc1c(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)cc(F)cc1[N+](=O)[O-] ZINC000194747068 510509073 /nfs/dbraw/zinc/50/90/73/510509073.db2.gz CGYFZLBKCSDJKP-CQSZACIVSA-N 1 0 372.400 2.568 20 5 FFBDRO Cn1cc(C[NH2+][C@@H]2Cc3ccccc3[C@H]2O)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000172068140 510525337 /nfs/dbraw/zinc/52/53/37/510525337.db2.gz YQROFCYSOMLZCR-UYAOXDASSA-N 1 0 364.405 2.743 20 5 FFBDRO COc1cccc(CNC(=O)C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000181811758 510606331 /nfs/dbraw/zinc/60/63/31/510606331.db2.gz SZIVUWHBSAJCNJ-AWEZNQCLSA-N 1 0 357.410 2.879 20 5 FFBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000181847613 510624442 /nfs/dbraw/zinc/62/44/42/510624442.db2.gz AIKDKQZNPGVTLY-GFCCVEGCSA-N 1 0 357.863 2.941 20 5 FFBDRO Cc1c(Br)cc(C(=O)N2CCC[C@@H]2C[NH+](C)C)cc1[N+](=O)[O-] ZINC000269979822 510626752 /nfs/dbraw/zinc/62/67/52/510626752.db2.gz NYQYMSPMTVTGCV-GFCCVEGCSA-N 1 0 370.247 2.832 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+](Cc1cccc(O)c1)CC1CC1 ZINC000181878818 510637879 /nfs/dbraw/zinc/63/78/79/510637879.db2.gz CYSGJSHNHDAWBN-GOSISDBHSA-N 1 0 372.421 2.952 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NC2CC[NH+](C3CCCCC3)CC2)s1 ZINC000175419011 510638308 /nfs/dbraw/zinc/63/83/08/510638308.db2.gz WFAZLYHCTBDMMK-UHFFFAOYSA-N 1 0 373.500 2.732 20 5 FFBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C[C@H]1COc2ccccc2O1 ZINC000175485928 510661281 /nfs/dbraw/zinc/66/12/81/510661281.db2.gz VHTOIXULWLCRBU-AWEZNQCLSA-N 1 0 371.393 2.695 20 5 FFBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000246870314 510719295 /nfs/dbraw/zinc/71/92/95/510719295.db2.gz SIQAKKVFOIKCFY-WMLDXEAASA-N 1 0 363.458 2.770 20 5 FFBDRO CN1CC[C@@H]([NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@H]1c1ccccc1 ZINC000270235560 510728207 /nfs/dbraw/zinc/72/82/07/510728207.db2.gz BEGHVEQKPREZPX-RTBURBONSA-N 1 0 369.421 2.996 20 5 FFBDRO CC[NH+](CC)Cc1ccc(NC(=O)CCn2cc([N+](=O)[O-])nc2C)cc1 ZINC000188363393 510729917 /nfs/dbraw/zinc/72/99/17/510729917.db2.gz BBQIDOSJJOVZJX-UHFFFAOYSA-N 1 0 359.430 2.970 20 5 FFBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)n1 ZINC000191608153 510748867 /nfs/dbraw/zinc/74/88/67/510748867.db2.gz WWLBCPGKGFNPLR-HNNXBMFYSA-N 1 0 363.462 2.586 20 5 FFBDRO O=C(NCCC[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1Br ZINC000172496766 510754711 /nfs/dbraw/zinc/75/47/11/510754711.db2.gz KROWQZIWRRRCBI-UHFFFAOYSA-N 1 0 356.220 2.573 20 5 FFBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)NC[C@@H]3CCC[NH2+]3)cc2[N+](=O)[O-])C1 ZINC000178783805 510770211 /nfs/dbraw/zinc/77/02/11/510770211.db2.gz OUBQFBAYEPSUDA-LZWOXQAQSA-N 1 0 360.458 2.559 20 5 FFBDRO Cc1nc2ccccc2n1C[C@@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000270345433 510771090 /nfs/dbraw/zinc/77/10/90/510771090.db2.gz OUDFUWBUHRXVJA-HNNXBMFYSA-N 1 0 354.414 2.614 20 5 FFBDRO Cc1cc(NC(=O)C2CC[NH+](C3CC3)CC2)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000195323186 510782774 /nfs/dbraw/zinc/78/27/74/510782774.db2.gz NDXRXTJNXMDDQK-UHFFFAOYSA-N 1 0 369.425 2.902 20 5 FFBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CC[NH2+][C@H](C)C3)cc2[N+](=O)[O-])C1 ZINC000188482888 510790402 /nfs/dbraw/zinc/79/04/02/510790402.db2.gz HSAWKOLICYTIHA-RBSFLKMASA-N 1 0 360.458 2.511 20 5 FFBDRO COc1ccc(C[NH2+][C@H]2CCN(Cc3ccc(F)cc3)C2=O)cc1[N+](=O)[O-] ZINC000191774982 510825463 /nfs/dbraw/zinc/82/54/63/510825463.db2.gz PQZZMGXEURILHA-INIZCTEOSA-N 1 0 373.384 2.633 20 5 FFBDRO CCCN(C(=O)Cn1c2ccccc2c(=O)c2ccccc21)[C@@H]1CC[NH2+]C1 ZINC000178902243 510827379 /nfs/dbraw/zinc/82/73/79/510827379.db2.gz LGVXAZFEQQOYOW-MRXNPFEDSA-N 1 0 363.461 2.755 20 5 FFBDRO CCCN(C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1CC[NH2+]C1 ZINC000178913375 510832598 /nfs/dbraw/zinc/83/25/98/510832598.db2.gz ABLPHTQOZUYLEX-AWEZNQCLSA-N 1 0 360.439 2.932 20 5 FFBDRO C[NH+](C)Cc1ccnc(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)c1 ZINC000182300439 510846999 /nfs/dbraw/zinc/84/69/99/510846999.db2.gz MWEWABUSFGKHHD-UHFFFAOYSA-N 1 0 366.324 2.905 20 5 FFBDRO CC[C@H](Cc1ccc(C)cc1)[N@H+](CC)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000247181697 510849511 /nfs/dbraw/zinc/84/95/11/510849511.db2.gz BJEGOCFXEXRLHY-IEBWSBKVSA-N 1 0 360.458 2.804 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C1 ZINC000247446405 510861080 /nfs/dbraw/zinc/86/10/80/510861080.db2.gz PVVZUHJTUQOXJL-BLLLJJGKSA-N 1 0 353.850 2.979 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000293865539 510879848 /nfs/dbraw/zinc/87/98/48/510879848.db2.gz DYYDZZXHUKZKGO-LJQANCHMSA-N 1 0 361.442 2.616 20 5 FFBDRO CC(C)NC(=O)c1ccc(N2CCC3(CCC[N@@H+]3C)CC2)c([N+](=O)[O-])c1 ZINC000364608898 510967878 /nfs/dbraw/zinc/96/78/78/510967878.db2.gz VYVULGWKFPXAIH-UHFFFAOYSA-N 1 0 360.458 2.798 20 5 FFBDRO Cc1nc2sccn2c(=O)c1CC[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000285671832 511004274 /nfs/dbraw/zinc/00/42/74/511004274.db2.gz PVXXMMXWEJDRTI-NSHDSACASA-N 1 0 358.423 2.866 20 5 FFBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000270857512 511006484 /nfs/dbraw/zinc/00/64/84/511006484.db2.gz YVMYPUZVFGGTOT-SCLBCKFNSA-N 1 0 358.442 2.752 20 5 FFBDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)C2)C1 ZINC000294301751 511019239 /nfs/dbraw/zinc/01/92/39/511019239.db2.gz VXPWFEPSJIVHDK-QGZVFWFLSA-N 1 0 369.368 2.754 20 5 FFBDRO [NH3+]CC[C@H]1CCCCN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000286310383 511022278 /nfs/dbraw/zinc/02/22/78/511022278.db2.gz XXQPLDYHPSAHLZ-MRXNPFEDSA-N 1 0 363.461 2.885 20 5 FFBDRO Cc1noc(C2(C)CC[NH+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000364699073 511027126 /nfs/dbraw/zinc/02/71/26/511027126.db2.gz VSPAFDCOZBILJK-UHFFFAOYSA-N 1 0 373.413 2.669 20 5 FFBDRO COc1cccc([C@@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])[NH+]2CCCC2)c1 ZINC000294334978 511030735 /nfs/dbraw/zinc/03/07/35/511030735.db2.gz KXLBENGTBNAAML-QGZVFWFLSA-N 1 0 363.458 2.784 20 5 FFBDRO COc1cc(C(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)c([N+](=O)[O-])cc1F ZINC000297707991 511041292 /nfs/dbraw/zinc/04/12/92/511041292.db2.gz HYOLJKWHMYFYCE-NSHDSACASA-N 1 0 353.394 2.545 20 5 FFBDRO COc1cc(CN(C)C2CC[NH+](C(C)C)CC2)c([N+](=O)[O-])cc1OC ZINC000271050147 511068679 /nfs/dbraw/zinc/06/86/79/511068679.db2.gz UZURUTYLCDDLAY-UHFFFAOYSA-N 1 0 351.447 2.917 20 5 FFBDRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000294543470 511098643 /nfs/dbraw/zinc/09/86/43/511098643.db2.gz RSPBNQLWJWWMHN-LBPRGKRZSA-N 1 0 355.410 2.983 20 5 FFBDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000294567322 511106397 /nfs/dbraw/zinc/10/63/97/511106397.db2.gz JUDOKKZJVRGMKL-QGZVFWFLSA-N 1 0 362.474 2.730 20 5 FFBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000294662530 511135537 /nfs/dbraw/zinc/13/55/37/511135537.db2.gz IIHNBOLXFBKVSS-OAHLLOKOSA-N 1 0 361.442 2.794 20 5 FFBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCC(CCC(N)=O)CC1 ZINC000271249307 511136537 /nfs/dbraw/zinc/13/65/37/511136537.db2.gz RIOGUFLMTNOCNX-LBPRGKRZSA-N 1 0 373.413 2.683 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@H](CO)c1ccccc1 ZINC000298045078 511155547 /nfs/dbraw/zinc/15/55/47/511155547.db2.gz HEJVMRZYQBOYAW-QGZVFWFLSA-N 1 0 373.409 2.597 20 5 FFBDRO NC(=O)N[C@@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000271397130 511190630 /nfs/dbraw/zinc/19/06/30/511190630.db2.gz VALGQBBVAGVOHL-SNVBAGLBSA-N 1 0 364.789 2.751 20 5 FFBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000294836997 511193951 /nfs/dbraw/zinc/19/39/51/511193951.db2.gz AZMHLXFMAQOKKI-AWEZNQCLSA-N 1 0 373.457 2.590 20 5 FFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)CS(=O)(=O)CC ZINC000271416937 511196945 /nfs/dbraw/zinc/19/69/45/511196945.db2.gz AZBPPPQOLBFYBB-STQMWFEESA-N 1 0 360.501 2.878 20 5 FFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)CS(=O)(=O)CC ZINC000271416933 511197091 /nfs/dbraw/zinc/19/70/91/511197091.db2.gz AZBPPPQOLBFYBB-OLZOCXBDSA-N 1 0 360.501 2.878 20 5 FFBDRO COC(=O)[C@@H]1CCO[C@H]1C1CC[NH+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000298306338 511241435 /nfs/dbraw/zinc/24/14/35/511241435.db2.gz PXAGEVLTKUUUAU-VHSSKADRSA-N 1 0 362.426 2.946 20 5 FFBDRO O=C(C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000295094784 511280599 /nfs/dbraw/zinc/28/05/99/511280599.db2.gz AJACJTKWMZWURP-LYRGGWFBSA-N 1 0 365.817 2.734 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000298443515 511286026 /nfs/dbraw/zinc/28/60/26/511286026.db2.gz ZGPRYQKXWPXMBA-GOEBONIOSA-N 1 0 369.368 2.909 20 5 FFBDRO Cc1c(NC(=O)CC[NH+]2CCC(n3cccn3)CC2)cccc1[N+](=O)[O-] ZINC000365164459 511293383 /nfs/dbraw/zinc/29/33/83/511293383.db2.gz ULBWVLIYKIDZMS-UHFFFAOYSA-N 1 0 357.414 2.765 20 5 FFBDRO COc1cccc(C2([NH2+]C[C@H](O)COc3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000271741502 511307322 /nfs/dbraw/zinc/30/73/22/511307322.db2.gz VZRYLVYRAZDXMF-INIZCTEOSA-N 1 0 358.394 2.622 20 5 FFBDRO CCOc1cc(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)ccc1[N+](=O)[O-] ZINC000365188764 511307540 /nfs/dbraw/zinc/30/75/40/511307540.db2.gz GAIIPLKMWKIBAR-FRQCXROJSA-N 1 0 363.458 2.677 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000298581138 511337175 /nfs/dbraw/zinc/33/71/75/511337175.db2.gz JOUICYQFHILSNO-UHFFFAOYSA-N 1 0 370.409 2.850 20 5 FFBDRO O=C(NCC1([NH+]2CCCC2)CCOCC1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000295389855 511388284 /nfs/dbraw/zinc/38/82/84/511388284.db2.gz YKBJMVFRLXNVIN-UHFFFAOYSA-N 1 0 367.833 2.623 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@]1(C)CCCO ZINC000271987980 511392144 /nfs/dbraw/zinc/39/21/44/511392144.db2.gz DFDCHDDXRWEIQP-GOSISDBHSA-N 1 0 365.430 2.559 20 5 FFBDRO COc1cc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)c([N+](=O)[O-])cc1F ZINC000295417386 511398119 /nfs/dbraw/zinc/39/81/19/511398119.db2.gz DSEFHSLKLZPAKZ-YJBOKZPZSA-N 1 0 373.384 2.918 20 5 FFBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cc(-c4ccc([N+](=O)[O-])cc4)n[nH]3)CC[C@@H]21 ZINC000295429928 511402760 /nfs/dbraw/zinc/40/27/60/511402760.db2.gz MKPKVBNNMBXCLC-KSSFIOAISA-N 1 0 369.425 2.541 20 5 FFBDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000283544639 511408904 /nfs/dbraw/zinc/40/89/04/511408904.db2.gz SMNXULCIJGASMS-GFCCVEGCSA-N 1 0 352.410 2.558 20 5 FFBDRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)CCC(C)(C)[N+](=O)[O-])c1 ZINC000295593241 511454790 /nfs/dbraw/zinc/45/47/90/511454790.db2.gz WSLQBLPOHOUMBA-UHFFFAOYSA-N 1 0 364.446 2.741 20 5 FFBDRO Cc1n[nH]c(C(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000292273637 511533200 /nfs/dbraw/zinc/53/32/00/511533200.db2.gz QIVJQLXUQMREHO-MRXNPFEDSA-N 1 0 371.441 2.658 20 5 FFBDRO CC(C)[N@@H+]1CCCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000292315863 511550117 /nfs/dbraw/zinc/55/01/17/511550117.db2.gz BAGHCSVVTUIPIM-CYBMUJFWSA-N 1 0 368.865 2.991 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000299243287 511564195 /nfs/dbraw/zinc/56/41/95/511564195.db2.gz XNDDAVMLIJJMPV-MRXNPFEDSA-N 1 0 369.421 2.998 20 5 FFBDRO CCC(=O)c1ccc(N2CCC(C[NH+]3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000280745273 511585688 /nfs/dbraw/zinc/58/56/88/511585688.db2.gz OWEUSIFWCXHBRG-UHFFFAOYSA-N 1 0 361.442 2.736 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000299344284 511600450 /nfs/dbraw/zinc/60/04/50/511600450.db2.gz NKLLMNRJRDZSMG-UHFFFAOYSA-N 1 0 354.410 2.586 20 5 FFBDRO C[C@@H]([NH2+]CCc1cccc(C(=O)N(C)C)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284093327 511602517 /nfs/dbraw/zinc/60/25/17/511602517.db2.gz MJTBNVFKIPMOQJ-CYBMUJFWSA-N 1 0 356.426 2.772 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2noc(C[NH2+][C@@H]3[C@@H]4CCO[C@H]4C34CCC4)n2)c1 ZINC000296076088 511611195 /nfs/dbraw/zinc/61/11/95/511611195.db2.gz GSUPFDHFISEOOW-NUEKZKHPSA-N 1 0 356.382 2.692 20 5 FFBDRO CC[C@H](O)[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000299420217 511629493 /nfs/dbraw/zinc/62/94/93/511629493.db2.gz WUMPFVJDRMAMTC-HOTGVXAUSA-N 1 0 365.430 2.557 20 5 FFBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000273846512 511629561 /nfs/dbraw/zinc/62/95/61/511629561.db2.gz GTYXDUFQMOSIBD-DYVFJYSZSA-N 1 0 363.433 2.954 20 5 FFBDRO CC[NH+](CC)CCC[C@H](C)NC(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000299446306 511639610 /nfs/dbraw/zinc/63/96/10/511639610.db2.gz MOJVTOLZANWDSK-AWEZNQCLSA-N 1 0 367.446 2.609 20 5 FFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](CO)[C@@H]1CCOC1 ZINC000280895469 511645567 /nfs/dbraw/zinc/64/55/67/511645567.db2.gz PIFYPTIXRSWRCJ-RBSFLKMASA-N 1 0 354.472 2.700 20 5 FFBDRO Cc1ccc(C2CC[NH+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])CC2)cn1 ZINC000363652529 511683129 /nfs/dbraw/zinc/68/31/29/511683129.db2.gz QEIPPXDAKOUSPS-GOSISDBHSA-N 1 0 371.437 2.918 20 5 FFBDRO CC(C)c1n[nH]c(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000274326639 511795493 /nfs/dbraw/zinc/79/54/93/511795493.db2.gz YUTFYRKOGVUFPL-HIFRSBDPSA-N 1 0 371.441 2.692 20 5 FFBDRO COC(=O)COc1ccc([C@H](C)[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000274417660 511827784 /nfs/dbraw/zinc/82/77/84/511827784.db2.gz DBTVUEQTIUBJBK-SCLBCKFNSA-N 1 0 374.393 2.531 20 5 FFBDRO O=C(c1cc(N2CC[C@@H](C[NH+]3CCCC3)C2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000293091877 511837733 /nfs/dbraw/zinc/83/77/33/511837733.db2.gz ORAJLRLZHFPIEH-INIZCTEOSA-N 1 0 372.469 2.753 20 5 FFBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H](O)COc2ccc(Cl)cc2)cc1 ZINC000324778201 511840214 /nfs/dbraw/zinc/84/02/14/511840214.db2.gz GWGPLEVROSJPAI-MRXNPFEDSA-N 1 0 350.802 2.820 20 5 FFBDRO CCc1nocc1C[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000293413359 511955943 /nfs/dbraw/zinc/95/59/43/511955943.db2.gz MQBCBEKZADDQEC-UHFFFAOYSA-N 1 0 362.386 2.614 20 5 FFBDRO C[C@@H]([NH2+]Cc1cccc(C(=O)NC2CC2)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285067736 511988015 /nfs/dbraw/zinc/98/80/15/511988015.db2.gz JCMIYDSHEXWDFI-GFCCVEGCSA-N 1 0 354.410 2.920 20 5 FFBDRO O=[N+]([O-])c1ccc(CC[NH+]2CCC(c3nnc4n3CCCC4)CC2)cc1 ZINC000274953050 511998145 /nfs/dbraw/zinc/99/81/45/511998145.db2.gz HLKFTKNWINDTCJ-UHFFFAOYSA-N 1 0 355.442 2.945 20 5 FFBDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)NCc3cc([N+](=O)[O-])ccc3Cl)C2)C1 ZINC000297071336 512008210 /nfs/dbraw/zinc/00/82/10/512008210.db2.gz AGPKMHIWWSEWIO-KRWDZBQOSA-N 1 0 366.849 2.876 20 5 FFBDRO CC(C)[NH+]1CCN([C@H]2CCN(c3nc4ccccc4cc3[N+](=O)[O-])C2)CC1 ZINC000364315671 512082477 /nfs/dbraw/zinc/08/24/77/512082477.db2.gz KCMIIVGNSBPJKZ-KRWDZBQOSA-N 1 0 369.469 2.748 20 5 FFBDRO Cn1cnc([N+](=O)[O-])c1CN1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000366590282 512096941 /nfs/dbraw/zinc/09/69/41/512096941.db2.gz YHDNDHNJWBTDBT-UHFFFAOYSA-N 1 0 369.469 2.816 20 5 FFBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc([N+](=O)[O-])cc1Br ZINC000377776703 512444535 /nfs/dbraw/zinc/44/45/35/512444535.db2.gz HFWOULXORHIHEJ-QWRGUYRKSA-N 1 0 368.231 2.714 20 5 FFBDRO C[NH+](C)[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000411150600 512492721 /nfs/dbraw/zinc/49/27/21/512492721.db2.gz AHHDHSIQMSPPAP-SLFFLAALSA-N 1 0 367.449 2.987 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCOC[C@@H]1CC(C)C ZINC000411285975 512562274 /nfs/dbraw/zinc/56/22/74/512562274.db2.gz WFEBSIDEQKYMIG-HNNXBMFYSA-N 1 0 365.430 2.679 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(CC(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)c1F ZINC000411414770 512624604 /nfs/dbraw/zinc/62/46/04/512624604.db2.gz BZAGILSBMDUUDV-OLZOCXBDSA-N 1 0 367.421 2.522 20 5 FFBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCN(S(=O)(=O)C3CC3)C2)cc1[N+](=O)[O-] ZINC000376055240 512637646 /nfs/dbraw/zinc/63/76/46/512637646.db2.gz IWLNJGIGRNMZKM-DZGCQCFKSA-N 1 0 367.471 2.510 20 5 FFBDRO Cn1cnc([N+](=O)[O-])c1CN1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000374067909 512647432 /nfs/dbraw/zinc/64/74/32/512647432.db2.gz UCSRKBKXLJJJDH-HXUWFJFHSA-N 1 0 369.469 2.816 20 5 FFBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCCC2(CC[NH+](C)CC2)C1 ZINC000374073949 512650961 /nfs/dbraw/zinc/65/09/61/512650961.db2.gz GKWSQBZRRHFKFB-OAHLLOKOSA-N 1 0 360.458 2.730 20 5 FFBDRO Cc1ccc(C[N@H+](CCO)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000411506018 512666913 /nfs/dbraw/zinc/66/69/13/512666913.db2.gz PBCMRMMUDGPJKB-UHFFFAOYSA-N 1 0 357.410 2.726 20 5 FFBDRO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000372013914 512678871 /nfs/dbraw/zinc/67/88/71/512678871.db2.gz ROPQQEGSHFURNJ-OAHLLOKOSA-N 1 0 354.410 2.726 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C[NH+](C)C)Oc2ccccc21 ZINC000372018486 512681247 /nfs/dbraw/zinc/68/12/47/512681247.db2.gz WQRIHMSFWMHOOC-OAHLLOKOSA-N 1 0 355.394 2.873 20 5 FFBDRO COC(=O)c1cc(C)nc(N2CCCC[C@@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000376207069 512709381 /nfs/dbraw/zinc/70/93/81/512709381.db2.gz BFCGZUWDBOWWEK-CQSZACIVSA-N 1 0 362.430 2.540 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC(=O)N[C@H]1CCOc2ccccc21 ZINC000374337015 512775979 /nfs/dbraw/zinc/77/59/79/512775979.db2.gz KFGCULCSEVKJAO-KRWDZBQOSA-N 1 0 355.394 2.633 20 5 FFBDRO COCC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCCSC1 ZINC000411763900 512799794 /nfs/dbraw/zinc/79/97/94/512799794.db2.gz ZJYKPGMPDSHRQZ-CQSZACIVSA-N 1 0 367.471 2.767 20 5 FFBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000372330090 512818486 /nfs/dbraw/zinc/81/84/86/512818486.db2.gz DRZXIVZSRBBWNB-MAUKXSAKSA-N 1 0 358.442 2.896 20 5 FFBDRO CCOC[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000411823433 512831961 /nfs/dbraw/zinc/83/19/61/512831961.db2.gz PWFKZMFDDQREIS-OAHLLOKOSA-N 1 0 365.430 2.823 20 5 FFBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000376489070 512839959 /nfs/dbraw/zinc/83/99/59/512839959.db2.gz AKZSISWTKYAZOW-UHFFFAOYSA-N 1 0 360.458 2.796 20 5 FFBDRO O=[N+]([O-])c1cn(C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)nc1C1CC1 ZINC000370278487 512856490 /nfs/dbraw/zinc/85/64/90/512856490.db2.gz GTPSTOXTCDDWOI-KRWDZBQOSA-N 1 0 356.426 2.960 20 5 FFBDRO CO[C@@](C)([C@H](C)[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000411979069 512899897 /nfs/dbraw/zinc/89/98/97/512899897.db2.gz ZOHDNYSWLSHERZ-QFYYESIMSA-N 1 0 355.822 2.980 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3C[C@@H]4CC[C@H](O)C[C@H]4C3)o2)c1 ZINC000412051301 512932753 /nfs/dbraw/zinc/93/27/53/512932753.db2.gz WGYXRCQMSXUIHN-ZOBUZTSGSA-N 1 0 357.410 2.885 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](N2CCCC2=O)CC1 ZINC000412056102 512934247 /nfs/dbraw/zinc/93/42/47/512934247.db2.gz NMVNJYBXPXWSNU-INIZCTEOSA-N 1 0 361.442 2.970 20 5 FFBDRO COc1cc(C(=O)N2C[C@@H](C[NH+](C)C)Oc3ccccc32)ccc1[N+](=O)[O-] ZINC000370505562 512968462 /nfs/dbraw/zinc/96/84/62/512968462.db2.gz VREVHJLUNHCWDO-CQSZACIVSA-N 1 0 371.393 2.573 20 5 FFBDRO CCN(CCC[NH+]1CCCC1)C(=O)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC000412273129 513020446 /nfs/dbraw/zinc/02/04/46/513020446.db2.gz AIENCWHGFBNQLT-UHFFFAOYSA-N 1 0 367.421 2.619 20 5 FFBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000408217946 513024031 /nfs/dbraw/zinc/02/40/31/513024031.db2.gz GOKMZJJVMQWLQY-IIAWOOMASA-N 1 0 367.471 2.621 20 5 FFBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000372769187 513036389 /nfs/dbraw/zinc/03/63/89/513036389.db2.gz WJDQRRBRQQPOCD-STQMWFEESA-N 1 0 357.332 2.970 20 5 FFBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000445882841 513137861 /nfs/dbraw/zinc/13/78/61/513137861.db2.gz ARCLBQHASRDIHD-CABCVRRESA-N 1 0 360.458 2.783 20 5 FFBDRO C[C@H]1CCCN(c2ccc(C(=O)N3CCC[C@@H](C[NH3+])C3)cc2[N+](=O)[O-])C1 ZINC000428607790 513140936 /nfs/dbraw/zinc/14/09/36/513140936.db2.gz SEMGUPQUUIBCAT-GJZGRUSLSA-N 1 0 360.458 2.642 20 5 FFBDRO CC(C)[C@H](CC(F)(F)F)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000445903362 513144484 /nfs/dbraw/zinc/14/44/84/513144484.db2.gz LANCQLDUPXTXHR-ZDUSSCGKSA-N 1 0 368.377 2.935 20 5 FFBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CCC(OCC[NH+](C)C)CC1 ZINC000450329489 513145860 /nfs/dbraw/zinc/14/58/60/513145860.db2.gz LJJKXHYICTUMQG-UHFFFAOYSA-N 1 0 374.441 2.699 20 5 FFBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000450487110 513216672 /nfs/dbraw/zinc/21/66/72/513216672.db2.gz UGYFAKVEBWKTGP-CQSZACIVSA-N 1 0 371.441 2.583 20 5 FFBDRO C[C@H](NC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1)[C@H]1CCC[NH2+]C1 ZINC000428997054 513246343 /nfs/dbraw/zinc/24/63/43/513246343.db2.gz RSAZOFDKBCYUBJ-VYDXJSESSA-N 1 0 374.485 2.949 20 5 FFBDRO C[C@H](c1ccccc1)[C@@H](O)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000450566528 513252950 /nfs/dbraw/zinc/25/29/50/513252950.db2.gz KXYFLUQDTWFPPN-KYJSFNMBSA-N 1 0 356.426 2.641 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N[C@@H]3CCC[C@H]([NH3+])C3)cc2[N+](=O)[O-])C1 ZINC000446399300 513255562 /nfs/dbraw/zinc/25/55/62/513255562.db2.gz XGORUHBTXSCYCG-VNQPRFMTSA-N 1 0 360.458 2.831 20 5 FFBDRO CC[NH+](CC)CC1CCN(C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])CC1 ZINC000434176313 513255582 /nfs/dbraw/zinc/25/55/82/513255582.db2.gz DMGREIIBMHQPHO-UHFFFAOYSA-N 1 0 351.451 2.635 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000415502734 513297440 /nfs/dbraw/zinc/29/74/40/513297440.db2.gz NSQJIAYOTVBIMJ-UHFFFAOYSA-N 1 0 358.398 2.986 20 5 FFBDRO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000417947530 513299543 /nfs/dbraw/zinc/29/95/43/513299543.db2.gz SEJRKCWQSWAVGU-QGZVFWFLSA-N 1 0 360.458 2.557 20 5 FFBDRO C[C@@H](NC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000417974298 513311629 /nfs/dbraw/zinc/31/16/29/513311629.db2.gz DAMPDLSWBIHBAE-XOKHGSTOSA-N 1 0 354.410 2.711 20 5 FFBDRO O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000434424052 513319961 /nfs/dbraw/zinc/31/99/61/513319961.db2.gz HLZVUZVVBVCJAP-QGZVFWFLSA-N 1 0 369.425 2.527 20 5 FFBDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000417988445 513320211 /nfs/dbraw/zinc/32/02/11/513320211.db2.gz KCROJKWLJFWQHC-DGCLKSJQSA-N 1 0 354.838 2.560 20 5 FFBDRO COc1cc(C(=O)N[C@@H](C)C[NH+]2CCCCCC2)c([N+](=O)[O-])cc1F ZINC000450749246 513323874 /nfs/dbraw/zinc/32/38/74/513323874.db2.gz YOWWGXCINQACOA-LBPRGKRZSA-N 1 0 353.394 2.737 20 5 FFBDRO [NH3+]C[C@H](NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])C1CCCCC1 ZINC000417995821 513324918 /nfs/dbraw/zinc/32/49/18/513324918.db2.gz RWOLYIZGPBGVAN-HNNXBMFYSA-N 1 0 368.865 2.998 20 5 FFBDRO CC(=O)N1CCC[N@H+](C[C@H]2CCCN(c3cc(C)ccc3[N+](=O)[O-])C2)CC1 ZINC000450763648 513330705 /nfs/dbraw/zinc/33/07/05/513330705.db2.gz BMADGVXORXGSOH-GOSISDBHSA-N 1 0 374.485 2.674 20 5 FFBDRO Cc1c(NC(=O)[C@@H](C)[NH2+][C@H]2Cc3cccc(O)c3C2)cccc1[N+](=O)[O-] ZINC000429312977 513336266 /nfs/dbraw/zinc/33/62/66/513336266.db2.gz PJIGRJNKGOWWMB-OCCSQVGLSA-N 1 0 355.394 2.693 20 5 FFBDRO C[C@@H]1CN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)C[C@H](C)[N@H+]1CCO ZINC000450800732 513347957 /nfs/dbraw/zinc/34/79/57/513347957.db2.gz ZMHKBPHPVNICRP-BETUJISGSA-N 1 0 362.455 2.610 20 5 FFBDRO [NH3+]C[C@@H]1CN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C[C@H]1c1ccccc1 ZINC000415635934 513358157 /nfs/dbraw/zinc/35/81/57/513358157.db2.gz WDQPZYNVCCXCRP-DYVFJYSZSA-N 1 0 358.373 2.940 20 5 FFBDRO C[NH2+]C[C@@H](C)CNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000415647178 513361001 /nfs/dbraw/zinc/36/10/01/513361001.db2.gz AEVFBWUVNUDRPF-MRVPVSSYSA-N 1 0 359.224 2.643 20 5 FFBDRO Cc1c(NC(=O)N(C)C2CC([NH3+])C2)cc(Br)cc1[N+](=O)[O-] ZINC000415659088 513366232 /nfs/dbraw/zinc/36/62/32/513366232.db2.gz ODYYJDBDRPVBJP-UHFFFAOYSA-N 1 0 357.208 2.619 20 5 FFBDRO Cc1ccc(S(=O)(=O)N(CC[NH+](C)C)C2CCCCC2)cc1[N+](=O)[O-] ZINC000429409620 513370348 /nfs/dbraw/zinc/37/03/48/513370348.db2.gz OZHSDPMUTDKYHG-UHFFFAOYSA-N 1 0 369.487 2.788 20 5 FFBDRO [NH3+]C[C@H](NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C1CCCC1 ZINC000418097446 513371037 /nfs/dbraw/zinc/37/10/37/513371037.db2.gz YNRVAICRPXQUNS-AWEZNQCLSA-N 1 0 374.363 2.930 20 5 FFBDRO O=C(CC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)Nc1ccc([N+](=O)[O-])cc1 ZINC000450868254 513374781 /nfs/dbraw/zinc/37/47/81/513374781.db2.gz VVWDRINTFCPZED-JQHSSLGASA-N 1 0 359.426 2.861 20 5 FFBDRO C[C@H]1CCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000415705267 513390887 /nfs/dbraw/zinc/39/08/87/513390887.db2.gz SWPSRAAPKJWDTI-ZANVPECISA-N 1 0 371.235 2.948 20 5 FFBDRO [NH3+][C@H]1CCC[C@H](NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000415708107 513391875 /nfs/dbraw/zinc/39/18/75/513391875.db2.gz WVMKXLSLMXFLER-UWVGGRQHSA-N 1 0 357.208 2.749 20 5 FFBDRO C[C@H]1CCCN(c2ccc(C(=O)NC3(C)CC[NH2+]CC3)cc2[N+](=O)[O-])C1 ZINC000434689944 513393970 /nfs/dbraw/zinc/39/39/70/513393970.db2.gz DJKSCJQKBYIODF-AWEZNQCLSA-N 1 0 360.458 2.703 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@]1(CO)CCCc2ccccc21 ZINC000440823139 513416887 /nfs/dbraw/zinc/41/68/87/513416887.db2.gz QXKJTKZXLHIVNC-HXUWFJFHSA-N 1 0 369.421 2.655 20 5 FFBDRO CCN1CC[NH+](C[C@@H](C)CNc2ccc([N+](=O)[O-])c3ncccc23)CC1 ZINC000413087958 513436370 /nfs/dbraw/zinc/43/63/70/513436370.db2.gz ZYWYIKLORGZCJF-HNNXBMFYSA-N 1 0 357.458 2.829 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000415898798 513467461 /nfs/dbraw/zinc/46/74/61/513467461.db2.gz RQACFSXUELRJRX-UHFFFAOYSA-N 1 0 356.382 2.571 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]Cc2cccnc2-n2cccn2)n1 ZINC000447550484 513504725 /nfs/dbraw/zinc/50/47/25/513504725.db2.gz NIICQJXXHWNNRD-HZPDHXFCSA-N 1 0 367.413 2.646 20 5 FFBDRO [NH3+][C@H](CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccccc1 ZINC000418428471 513505654 /nfs/dbraw/zinc/50/56/54/513505654.db2.gz MJWHXTJERPDTMS-QGZVFWFLSA-N 1 0 354.410 2.969 20 5 FFBDRO C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447587458 513516205 /nfs/dbraw/zinc/51/62/05/513516205.db2.gz QKFJCBYUGWLNJE-RDBSUJKOSA-N 1 0 352.435 2.985 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000441278285 513527901 /nfs/dbraw/zinc/52/79/01/513527901.db2.gz PHUJRZARBXGRFP-HOTGVXAUSA-N 1 0 361.442 2.980 20 5 FFBDRO CC[NH+](CC)CC[C@@H](CO)Nc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413277267 513563951 /nfs/dbraw/zinc/56/39/51/513563951.db2.gz XGJGQCUKFJPBBV-JTQLQIEISA-N 1 0 350.341 2.513 20 5 FFBDRO COc1ccc(CN(C)[C@H](C)C[NH3+])cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000435372657 513568013 /nfs/dbraw/zinc/56/80/13/513568013.db2.gz BADLPBHLOUIEKY-CQSZACIVSA-N 1 0 359.426 2.961 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C1CCOCC1)C1(CO)CCC1 ZINC000425532326 513624517 /nfs/dbraw/zinc/62/45/17/513624517.db2.gz BNCYNOHYZGLFDA-SFHVURJKSA-N 1 0 364.442 2.651 20 5 FFBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@H](C3CCOCC3)C3(CO)CCC3)nc2c1 ZINC000425552468 513636665 /nfs/dbraw/zinc/63/66/65/513636665.db2.gz ZHJZMPCCDVDVMG-GOSISDBHSA-N 1 0 374.441 2.519 20 5 FFBDRO O=C(CC[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O)Nc1ccccc1[N+](=O)[O-] ZINC000451340833 513686401 /nfs/dbraw/zinc/68/64/01/513686401.db2.gz KJIZTYLGQCPKFA-YXJHDRRASA-N 1 0 361.442 2.939 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000451414735 513734072 /nfs/dbraw/zinc/73/40/72/513734072.db2.gz IVTUBVANNDYIPN-NXHRZFHOSA-N 1 0 361.442 2.857 20 5 FFBDRO O=C(C[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000451432885 513749354 /nfs/dbraw/zinc/74/93/54/513749354.db2.gz ZZFWPUNNXRUBIU-JGGQBBKZSA-N 1 0 367.833 2.812 20 5 FFBDRO CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)C1 ZINC000416410437 513757361 /nfs/dbraw/zinc/75/73/61/513757361.db2.gz FYCKJVABBZSSSM-OAHLLOKOSA-N 1 0 369.487 2.564 20 5 FFBDRO C[NH+](C)Cc1cccc(NC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1 ZINC000436104622 513761281 /nfs/dbraw/zinc/76/12/81/513761281.db2.gz SNCHMWWCNPXSAQ-UHFFFAOYSA-N 1 0 368.397 2.854 20 5 FFBDRO CC(C)[C@H](CNc1ccc([N+](=O)[O-])c2ncccc12)[NH+]1CCN(C)CC1 ZINC000448545592 513778179 /nfs/dbraw/zinc/77/81/79/513778179.db2.gz GJLCIDFBSRHQDA-SFHVURJKSA-N 1 0 357.458 2.827 20 5 FFBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2C[C@@](C)(OC)C2(C)C)c([N+](=O)[O-])c1 ZINC000451485180 513780666 /nfs/dbraw/zinc/78/06/66/513780666.db2.gz IGXBZJLRJCUXCA-BKGUAONASA-N 1 0 365.430 2.724 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCSC[C@@H]2C2CCC2)c1 ZINC000419363168 513789010 /nfs/dbraw/zinc/78/90/10/513789010.db2.gz OPPSIOBOAPLGPR-DOTOQJQBSA-N 1 0 352.456 2.552 20 5 FFBDRO COc1ccc(NC(=O)C[NH2+][C@H]2C[C@H](OC(C)C)C2(C)C)c([N+](=O)[O-])c1 ZINC000451499174 513789936 /nfs/dbraw/zinc/78/99/36/513789936.db2.gz MMHVUUCCXXOWRD-HOTGVXAUSA-N 1 0 365.430 2.724 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1[C@@H](C)[C@H](OC)C1(C)C ZINC000451503807 513794573 /nfs/dbraw/zinc/79/45/73/513794573.db2.gz RNNQUMCNDKWCIU-LQAWEQHXSA-N 1 0 365.430 2.581 20 5 FFBDRO COc1cc(C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000448695984 513849560 /nfs/dbraw/zinc/84/95/60/513849560.db2.gz CKYZXQHPJIUYHN-NWDGAFQWSA-N 1 0 353.394 2.735 20 5 FFBDRO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000451589154 513851856 /nfs/dbraw/zinc/85/18/56/513851856.db2.gz UCYHUEQLNACRHK-NFAWXSAZSA-N 1 0 363.414 2.552 20 5 FFBDRO CC(C)[C@@H](CO)[C@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)C(C)C ZINC000451604326 513861490 /nfs/dbraw/zinc/86/14/90/513861490.db2.gz YKIJCUALSYEWFN-IAOVAPTHSA-N 1 0 351.447 2.801 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H]([C@@H](CO)C1CC1)C1CC1 ZINC000451606532 513862408 /nfs/dbraw/zinc/86/24/08/513862408.db2.gz LUEPXQPMZFHOFS-LPHOPBHVSA-N 1 0 361.442 2.619 20 5 FFBDRO C[C@H]1CCCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1C[NH3+] ZINC000422846607 513950630 /nfs/dbraw/zinc/95/06/30/513950630.db2.gz FTNGUIYYALXGMR-GXFFZTMASA-N 1 0 357.863 2.926 20 5 FFBDRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000422857402 513955205 /nfs/dbraw/zinc/95/52/05/513955205.db2.gz HIZQZPFPGCARIM-PWSUYJOCSA-N 1 0 357.863 2.974 20 5 FFBDRO CC(C)(C(=O)NCCNc1ccc([N+](=O)[O-])cc1)[C@@H]([NH3+])c1ccccc1 ZINC000422933871 513981674 /nfs/dbraw/zinc/98/16/74/513981674.db2.gz IOYNWERPQFTBFL-KRWDZBQOSA-N 1 0 356.426 2.849 20 5 FFBDRO CCC1(c2ccccc2)C[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000414134251 513984551 /nfs/dbraw/zinc/98/45/51/513984551.db2.gz BBTHRBZIPSPRGA-QGZVFWFLSA-N 1 0 356.422 2.998 20 5 FFBDRO C[NH+](C)CC[C@](C)(O)CNC(=O)c1cc2ccccc2c2cccnc12 ZINC000420044645 514007681 /nfs/dbraw/zinc/00/76/81/514007681.db2.gz PXYXBGCRWDLRDS-NRFANRHFSA-N 1 0 351.450 2.821 20 5 FFBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000451861478 514027075 /nfs/dbraw/zinc/02/70/75/514027075.db2.gz AKTHWIBGIMYSPT-AWEZNQCLSA-N 1 0 359.430 2.631 20 5 FFBDRO CN1CCC[C@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC000451860373 514027607 /nfs/dbraw/zinc/02/76/07/514027607.db2.gz DPLXGRGUSHFTOG-LPHOPBHVSA-N 1 0 371.437 2.895 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC(C)(C)CCC[NH+](C)C)c1 ZINC000451887731 514048159 /nfs/dbraw/zinc/04/81/59/514048159.db2.gz KDYJMBFYFZWGOA-UHFFFAOYSA-N 1 0 357.476 2.610 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000426854300 514058892 /nfs/dbraw/zinc/05/88/92/514058892.db2.gz RSGMQPVOIOTPBI-INIZCTEOSA-N 1 0 361.373 2.775 20 5 FFBDRO Cc1ccc([C@@H](C)NC(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)cc1[N+](=O)[O-] ZINC000423276169 514098091 /nfs/dbraw/zinc/09/80/91/514098091.db2.gz MMLFKMCFDKJVSU-CZUORRHYSA-N 1 0 357.414 2.515 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@]2(CCSC2)C1 ZINC000451964046 514098437 /nfs/dbraw/zinc/09/84/37/514098437.db2.gz INIZLDDUQJSHHO-WMLDXEAASA-N 1 0 352.456 2.554 20 5 FFBDRO O=C1[C@@H]([N@@H+]2CCC[C@]3(CCSC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000451963922 514098557 /nfs/dbraw/zinc/09/85/57/514098557.db2.gz IFCUVJNFIAGETF-WMZOPIPTSA-N 1 0 361.467 2.919 20 5 FFBDRO [NH3+][C@H]1CCO[C@H](C2CCN(Cc3ccc(Cl)cc3[N+](=O)[O-])CC2)C1 ZINC000420391077 514126139 /nfs/dbraw/zinc/12/61/39/514126139.db2.gz NXLKOSPLNCTJRR-RDJZCZTQSA-N 1 0 353.850 2.967 20 5 FFBDRO Cn1ccnc1[C@H](NC[C@H]1[NH2+]CCCC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000423403170 514130180 /nfs/dbraw/zinc/13/01/80/514130180.db2.gz ZAGDFUXJWYGIRM-IAGOWNOFSA-N 1 0 357.458 2.786 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](Cc1ccc(F)cc1)C(N)=O ZINC000449250821 514131793 /nfs/dbraw/zinc/13/17/93/514131793.db2.gz MMLLTTABGUISID-XJKSGUPXSA-N 1 0 359.401 2.599 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCN1C(=O)c2ccccc2C1=O ZINC000449323161 514167196 /nfs/dbraw/zinc/16/71/96/514167196.db2.gz SGXMTCZNKPJHDD-CQSZACIVSA-N 1 0 367.405 2.802 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CCC(CS(C)(=O)=O)CC1 ZINC000449371473 514184728 /nfs/dbraw/zinc/18/47/28/514184728.db2.gz VGXYLSKTLIGAGF-HLIUYOAVSA-N 1 0 354.472 2.719 20 5 FFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](CO)c1ccc(F)cc1 ZINC000449380237 514187084 /nfs/dbraw/zinc/18/70/84/514187084.db2.gz MIGMHSJNBFDAFL-SJCJKPOMSA-N 1 0 361.373 2.774 20 5 FFBDRO C[C@H]1C[C@@H](NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)CC[NH2+]1 ZINC000423627610 514189061 /nfs/dbraw/zinc/18/90/61/514189061.db2.gz UXIYSPVQFWZOPA-RYUDHWBXSA-N 1 0 353.397 2.691 20 5 FFBDRO CC[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C12CC3CC(CC(C3)C1)C2 ZINC000437645543 514201109 /nfs/dbraw/zinc/20/11/09/514201109.db2.gz JXPAICYILRDLLV-MPJQVIBOSA-N 1 0 362.474 2.737 20 5 FFBDRO CC[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000449421971 514204671 /nfs/dbraw/zinc/20/46/71/514204671.db2.gz MFJQCTHGMDQNNE-ZYHUDNBSSA-N 1 0 360.357 2.798 20 5 FFBDRO Cn1ccnc1C(=O)c1ccc(NC2CCC([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000420634501 514209897 /nfs/dbraw/zinc/20/98/97/514209897.db2.gz ZQFYOBARTGBVKB-UHFFFAOYSA-N 1 0 371.441 2.844 20 5 FFBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000423734478 514213350 /nfs/dbraw/zinc/21/33/50/514213350.db2.gz CYURQMMPYMWEBC-RYUDHWBXSA-N 1 0 353.397 2.678 20 5 FFBDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000432519058 514216687 /nfs/dbraw/zinc/21/66/87/514216687.db2.gz MSELYPGXGGMWEW-PBHICJAKSA-N 1 0 368.437 2.935 20 5 FFBDRO CSc1cccc(C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)c1[N+](=O)[O-] ZINC000432573649 514230988 /nfs/dbraw/zinc/23/09/88/514230988.db2.gz GKWOUSYNLCIKGG-ZDUSSCGKSA-N 1 0 367.471 2.547 20 5 FFBDRO CN(CC(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000437854712 514252327 /nfs/dbraw/zinc/25/23/27/514252327.db2.gz ZWMMBCCJVSQSFB-KRWDZBQOSA-N 1 0 374.485 2.944 20 5 FFBDRO O=C(NCC1=CC[NH2+]CC1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000427608958 514263704 /nfs/dbraw/zinc/26/37/04/514263704.db2.gz JVOQPVJYBWQFSF-UHFFFAOYSA-N 1 0 366.421 2.856 20 5 FFBDRO CC(C)[C@H](C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[NH+]1CCCCC1 ZINC000444628033 514278180 /nfs/dbraw/zinc/27/81/80/514278180.db2.gz BYNQITCHXPAPHV-QGZVFWFLSA-N 1 0 359.430 2.598 20 5 FFBDRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000449648531 514280213 /nfs/dbraw/zinc/28/02/13/514280213.db2.gz QWQOVGXNORYSRZ-DGCLKSJQSA-N 1 0 355.822 2.651 20 5 FFBDRO COC(=O)c1cc([C@@H](C)[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)oc1C ZINC000432778558 514282751 /nfs/dbraw/zinc/28/27/51/514282751.db2.gz DXXKEQGTZTXPPL-YPMHNXCESA-N 1 0 374.397 2.925 20 5 FFBDRO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000423938080 514297144 /nfs/dbraw/zinc/29/71/44/514297144.db2.gz HMDJLDDBOSZLED-RHSMWYFYSA-N 1 0 358.442 2.773 20 5 FFBDRO COc1cc(CNC[C@@H]([NH3+])C(C)C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000414800286 514299664 /nfs/dbraw/zinc/29/96/64/514299664.db2.gz SEFVNOAOFUAMMF-LLVKDONJSA-N 1 0 365.352 2.617 20 5 FFBDRO [NH3+]C[C@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C1CCCC1 ZINC000423950521 514303218 /nfs/dbraw/zinc/30/32/18/514303218.db2.gz YNDYWBOUCUYDPN-SFHVURJKSA-N 1 0 363.461 2.788 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N[C@H](C[NH3+])C(C)(C)C)cc2[N+](=O)[O-])CC1 ZINC000423951650 514304101 /nfs/dbraw/zinc/30/41/01/514304101.db2.gz OYRUIUJTCMVTEJ-QGZVFWFLSA-N 1 0 362.474 2.934 20 5 FFBDRO O=C(CNc1ccccc1[N+](=O)[O-])Nc1nc(C2CC[NH2+]CC2)cs1 ZINC000423979190 514319766 /nfs/dbraw/zinc/31/97/66/514319766.db2.gz OMJKBFGVLSHZCB-UHFFFAOYSA-N 1 0 361.427 2.569 20 5 FFBDRO CCc1ccc(C(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)cc1[N+](=O)[O-] ZINC000423993945 514326839 /nfs/dbraw/zinc/32/68/39/514326839.db2.gz BMJPGYFIDZIIKR-FUHWJXTLSA-N 1 0 361.442 2.516 20 5 FFBDRO C[C@@H]1CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C[C@@H]1C[NH3+] ZINC000424003709 514333343 /nfs/dbraw/zinc/33/33/43/514333343.db2.gz DWLBMARRGJPBGW-CVEARBPZSA-N 1 0 363.461 2.598 20 5 FFBDRO CC1(C)[NH2+]CC[C@@H]1NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000449748398 514335359 /nfs/dbraw/zinc/33/53/59/514335359.db2.gz LVHUAAVOSJNDDJ-ZDUSSCGKSA-N 1 0 374.363 2.672 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N3CC[C@H](C)[C@@H](C[NH3+])C3)cc2[N+](=O)[O-])CC1 ZINC000424011715 514340176 /nfs/dbraw/zinc/34/01/76/514340176.db2.gz JEUIQMLLKQIUDL-RDJZCZTQSA-N 1 0 374.485 2.888 20 5 FFBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000427906047 514344005 /nfs/dbraw/zinc/34/40/05/514344005.db2.gz RCXJRCBPSBCNQI-AWEZNQCLSA-N 1 0 372.425 2.512 20 5 FFBDRO C[NH2+]CCCN(C)C(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000424021537 514345428 /nfs/dbraw/zinc/34/54/28/514345428.db2.gz RJVWMEYXGSVNOP-UHFFFAOYSA-N 1 0 359.376 2.641 20 5 FFBDRO [NH3+]C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)CCCO1 ZINC000424028322 514348153 /nfs/dbraw/zinc/34/81/53/514348153.db2.gz WWTRVCAABQIXHN-INIZCTEOSA-N 1 0 371.393 2.577 20 5 FFBDRO Cc1c(CC(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)cccc1[N+](=O)[O-] ZINC000424041329 514354563 /nfs/dbraw/zinc/35/45/63/514354563.db2.gz HVTQVLQWAWJQMC-UHFFFAOYSA-N 1 0 357.454 2.716 20 5 FFBDRO [NH3+]C[C@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)C1CCCC1 ZINC000414942438 514366543 /nfs/dbraw/zinc/36/65/43/514366543.db2.gz DKWWSTPFEBUYOJ-LBPRGKRZSA-N 1 0 358.345 2.835 20 5 FFBDRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414948215 514371355 /nfs/dbraw/zinc/37/13/55/514371355.db2.gz LWDYSQKJTMLLEX-ONGXEEELSA-N 1 0 358.345 2.835 20 5 FFBDRO C[C@H]1CC2(CN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1)CC[NH2+]CC2 ZINC000424221960 514422295 /nfs/dbraw/zinc/42/22/95/514422295.db2.gz HSFBIQMHGSVJIJ-HNNXBMFYSA-N 1 0 360.458 2.778 20 5 FFBDRO C[C@@H]1CC2(CN1C(=O)c1ccc(NC3CC3)c([N+](=O)[O-])c1)CC[NH2+]CC2 ZINC000424228028 514423635 /nfs/dbraw/zinc/42/36/35/514423635.db2.gz VWBMYPLYQIQAON-CYBMUJFWSA-N 1 0 358.442 2.773 20 5 FFBDRO CC1(C)C[C@H]([NH2+][C@@H]2CCN(C3CCOCC3)C2=O)c2cc([N+](=O)[O-])ccc21 ZINC000433286131 514445487 /nfs/dbraw/zinc/44/54/87/514445487.db2.gz NLERNMGGOVNNBK-MSOLQXFVSA-N 1 0 373.453 2.687 20 5 FFBDRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000415110036 514446601 /nfs/dbraw/zinc/44/66/01/514446601.db2.gz OSTYUHPAVWCGAV-DLBZAZTESA-N 1 0 353.850 2.967 20 5 FFBDRO [NH3+]C1(c2noc(-c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)n2)CCCCC1 ZINC000424339922 514458869 /nfs/dbraw/zinc/45/88/69/514458869.db2.gz FGNHENYWMPYUPJ-UHFFFAOYSA-N 1 0 354.370 2.949 20 5 FFBDRO CC[NH+](CC)CC[C@@H](CO)Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000439136141 514499384 /nfs/dbraw/zinc/49/93/84/514499384.db2.gz RLLHZAKCLHGBFM-LBPRGKRZSA-N 1 0 360.252 2.862 20 5 FFBDRO CCCN(CC[NH+](CC)CC)C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000461154940 514525524 /nfs/dbraw/zinc/52/55/24/514525524.db2.gz XKKNXODWFQCNRW-UHFFFAOYSA-N 1 0 373.457 2.975 20 5 FFBDRO C[NH+](C)CC1CCC(NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000450194225 514533018 /nfs/dbraw/zinc/53/30/18/514533018.db2.gz GCZORDRVVGKULC-UHFFFAOYSA-N 1 0 361.442 2.794 20 5 FFBDRO COc1ccc([C@H](CNc2ncc([N+](=O)[O-])c(C)n2)[NH+]2CCCC2)cc1 ZINC000450212561 514544835 /nfs/dbraw/zinc/54/48/35/514544835.db2.gz DFITVEDAMGCZQB-KRWDZBQOSA-N 1 0 357.414 2.951 20 5 FFBDRO C[N@@H+]1CCC[C@H](CCNC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000458169536 514599252 /nfs/dbraw/zinc/59/92/52/514599252.db2.gz OSADLJCULZOPRN-LLVKDONJSA-N 1 0 370.247 2.819 20 5 FFBDRO COc1cc(C(=O)N(CC[NH+](C)C)Cc2ccsc2)ccc1[N+](=O)[O-] ZINC000458206375 514626437 /nfs/dbraw/zinc/62/64/37/514626437.db2.gz UNBIUIGKIFMKJL-UHFFFAOYSA-N 1 0 363.439 2.869 20 5 FFBDRO CC[NH+](CC)[C@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)c1cccc(OC)c1 ZINC000497769881 514630998 /nfs/dbraw/zinc/63/09/98/514630998.db2.gz ZZXIUIQNJDWTQT-QGZVFWFLSA-N 1 0 374.441 2.755 20 5 FFBDRO CCCN(CC[NH+]1CCCC1)C(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000484329626 514633681 /nfs/dbraw/zinc/63/36/81/514633681.db2.gz JFKZNKJRKBBAOV-UHFFFAOYSA-N 1 0 364.446 2.621 20 5 FFBDRO C[NH+](C)CCOc1ccc(NC(=O)Cc2ccccc2[N+](=O)[O-])cc1F ZINC000458324639 514710507 /nfs/dbraw/zinc/71/05/07/514710507.db2.gz SUBKEMABCXRBDL-UHFFFAOYSA-N 1 0 361.373 2.856 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CCN(c2cc[nH+]cc2OC)CC1 ZINC000475630191 514741420 /nfs/dbraw/zinc/74/14/20/514741420.db2.gz YDWVONYBPUDPHX-UHFFFAOYSA-N 1 0 372.425 2.719 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+]CC2C(C)(C)C2(C)C)cc1[N+](=O)[O-] ZINC000475635453 514743151 /nfs/dbraw/zinc/74/31/51/514743151.db2.gz PUJXMNAKNZLGDJ-UHFFFAOYSA-N 1 0 350.415 2.918 20 5 FFBDRO COc1ccc(NC(=O)CC[N@H+](C)Cc2cccc(C)n2)c([N+](=O)[O-])c1 ZINC000471197374 514792284 /nfs/dbraw/zinc/79/22/84/514792284.db2.gz WXENXQOCYYDVTP-UHFFFAOYSA-N 1 0 358.398 2.767 20 5 FFBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000458438342 514798998 /nfs/dbraw/zinc/79/89/98/514798998.db2.gz UNHCIMCSIGFQMD-KRWDZBQOSA-N 1 0 362.474 2.949 20 5 FFBDRO Cc1cc(N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461946058 514800478 /nfs/dbraw/zinc/80/04/78/514800478.db2.gz LZVZZOHEKYBJTQ-NEPJUHHUSA-N 1 0 361.364 2.813 20 5 FFBDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000498362953 514881519 /nfs/dbraw/zinc/88/15/19/514881519.db2.gz HQTRDXIFFJZDIR-ZBFHGGJFSA-N 1 0 373.409 2.868 20 5 FFBDRO Cc1sc(S(=O)(=O)N(C)CC[NH+](C(C)C)C(C)C)cc1[N+](=O)[O-] ZINC000467067834 514884888 /nfs/dbraw/zinc/88/48/88/514884888.db2.gz HDYPNZDDGTVYCI-UHFFFAOYSA-N 1 0 363.505 2.704 20 5 FFBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1CC[NH+](C2CCC2)CC1 ZINC000498490755 514927435 /nfs/dbraw/zinc/92/74/35/514927435.db2.gz CFMIHAMYNFLAFX-UHFFFAOYSA-N 1 0 366.849 2.670 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CN(C)[C@H]1CCN(c2ccccc2F)C1=O ZINC000489739242 514956226 /nfs/dbraw/zinc/95/62/26/514956226.db2.gz KPUQUTWOSAGFGH-KRWDZBQOSA-N 1 0 373.384 2.980 20 5 FFBDRO CC[C@@H](C)[NH+]1CCN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000458619712 514960482 /nfs/dbraw/zinc/96/04/82/514960482.db2.gz BRNMACIIMIEXFA-CYBMUJFWSA-N 1 0 368.865 2.916 20 5 FFBDRO Cn1ccnc1C(=O)c1ccc(NCC2(C)CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000503256693 514983088 /nfs/dbraw/zinc/98/30/88/514983088.db2.gz SWJBTDUMRIUYFB-UHFFFAOYSA-N 1 0 371.441 2.703 20 5 FFBDRO CC[N@@H+]1CCC[C@H](CNc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])C1 ZINC000480511652 514984025 /nfs/dbraw/zinc/98/40/25/514984025.db2.gz MILYCYVXEZVTNI-CQSZACIVSA-N 1 0 371.441 2.703 20 5 FFBDRO COc1cccc([C@@H](CNc2ncnc3cccc([N+](=O)[O-])c32)[NH+](C)C)c1 ZINC000509071666 515011701 /nfs/dbraw/zinc/01/17/01/515011701.db2.gz XYFBSSPCZUAWKW-QGZVFWFLSA-N 1 0 367.409 2.683 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1CCC[C@H]1OC(F)F ZINC000503400810 515020930 /nfs/dbraw/zinc/02/09/30/515020930.db2.gz OONFVLZOPWCXAX-ZIAGYGMSSA-N 1 0 357.357 2.982 20 5 FFBDRO CCc1ccc(C(=O)N2CCN(c3cc(OC)cc[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000471866632 515037047 /nfs/dbraw/zinc/03/70/47/515037047.db2.gz VYDUVYIXSCJSRT-UHFFFAOYSA-N 1 0 370.409 2.523 20 5 FFBDRO [NH3+]C1(C(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCCCC1 ZINC000489948932 515044046 /nfs/dbraw/zinc/04/40/46/515044046.db2.gz TVOJOKGIYDAISG-UHFFFAOYSA-N 1 0 374.363 2.803 20 5 FFBDRO CC[NH+](CC)C[C@@H](C)NC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000490033221 515074877 /nfs/dbraw/zinc/07/48/77/515074877.db2.gz UPIOKONFHKMEFX-LLVKDONJSA-N 1 0 355.460 2.785 20 5 FFBDRO CCS[C@@H]1CCCC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000480866803 515115869 /nfs/dbraw/zinc/11/58/69/515115869.db2.gz RKUVMKCTISTZMH-DOTOQJQBSA-N 1 0 354.472 2.942 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H](NC[C@@H](O)C[NH+]2CCCC2)c2ccccc2)c1 ZINC000490149314 515124094 /nfs/dbraw/zinc/12/40/94/515124094.db2.gz ITGFSVNKUFKHFO-WOJBJXKFSA-N 1 0 355.438 2.731 20 5 FFBDRO Cc1ccc(C)c(S(=O)(=O)NCC[N@@H+](C)C2CCCCC2)c1[N+](=O)[O-] ZINC000481020513 515175270 /nfs/dbraw/zinc/17/52/70/515175270.db2.gz HNNUJCZKSDPWHA-UHFFFAOYSA-N 1 0 369.487 2.754 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])C[C@H]1C ZINC000481057237 515189668 /nfs/dbraw/zinc/18/96/68/515189668.db2.gz KGXDYLUPCCJQCX-CABCVRRESA-N 1 0 369.487 2.705 20 5 FFBDRO C[N@H+]1CC=C(CNc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)CC1 ZINC000462700108 515196508 /nfs/dbraw/zinc/19/65/08/515196508.db2.gz KPRSKVDDWKEQGL-UHFFFAOYSA-N 1 0 354.410 2.665 20 5 FFBDRO C[C@H](CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)[N@@H+]1CCC[C@H](C)C1 ZINC000485824624 515204837 /nfs/dbraw/zinc/20/48/37/515204837.db2.gz ZWSLRBVJPVKRQN-NWDGAFQWSA-N 1 0 355.385 2.652 20 5 FFBDRO Cc1ccc([C@H](CNC(=O)COc2ccccc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000499134680 515214221 /nfs/dbraw/zinc/21/42/21/515214221.db2.gz ORBDOMDCGXZSNJ-KRWDZBQOSA-N 1 0 357.410 2.701 20 5 FFBDRO CNc1c(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)cccc1[N+](=O)[O-] ZINC000462763229 515228658 /nfs/dbraw/zinc/22/86/58/515228658.db2.gz QXHBMXRWXYTLSE-UHFFFAOYSA-N 1 0 369.425 2.678 20 5 FFBDRO Cc1cc(N2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)cc[nH+]1 ZINC000509878222 515355418 /nfs/dbraw/zinc/35/54/18/515355418.db2.gz FPWZFJXIELPMSD-UHFFFAOYSA-N 1 0 352.398 2.891 20 5 FFBDRO CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000481513038 515355854 /nfs/dbraw/zinc/35/58/54/515355854.db2.gz CXZNWUXSHLZQDI-SJCJKPOMSA-N 1 0 365.817 2.776 20 5 FFBDRO COc1cc(C[N@H+](C[C@H](C)O)C(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000491089732 515375130 /nfs/dbraw/zinc/37/51/30/515375130.db2.gz NGVIPJXWPBHPOQ-NSHDSACASA-N 1 0 362.373 2.839 20 5 FFBDRO CC(=Cc1cccc([N+](=O)[O-])c1)CNc1ccc(N2CC[NH+](C)CC2)cn1 ZINC000468644355 515449824 /nfs/dbraw/zinc/44/98/24/515449824.db2.gz AEEWIISTKOBVFU-FOWTUZBSSA-N 1 0 367.453 2.679 20 5 FFBDRO C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)Cc1ccc([N+](=O)[O-])cc1F ZINC000491831130 515473010 /nfs/dbraw/zinc/47/30/10/515473010.db2.gz VRFYDPQNKDXLAK-NSHDSACASA-N 1 0 367.402 2.574 20 5 FFBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)CN(C)c2ccccc2[N+](=O)[O-])C1 ZINC000463399837 515476359 /nfs/dbraw/zinc/47/63/59/515476359.db2.gz KRSAUSQSMKZURC-IYBDPMFKSA-N 1 0 362.474 2.515 20 5 FFBDRO CC[N@H+](CCNC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)C1CC1 ZINC000454467911 515510453 /nfs/dbraw/zinc/51/04/53/515510453.db2.gz NQZGXQRZFVUUCW-MRXNPFEDSA-N 1 0 360.458 2.968 20 5 FFBDRO CC[C@@H](C)[NH2+][C@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000510385644 515524722 /nfs/dbraw/zinc/52/47/22/515524722.db2.gz BKTRHIXFTKSOKA-IUODEOHRSA-N 1 0 367.427 2.596 20 5 FFBDRO CCCN(CC[NH+]1CCCCC1)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000510471624 515549760 /nfs/dbraw/zinc/54/97/60/515549760.db2.gz JRRLLHMZHXQWCM-UHFFFAOYSA-N 1 0 369.487 2.623 20 5 FFBDRO CCCN(CC[NH+]1CCCCC1)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000510475693 515551705 /nfs/dbraw/zinc/55/17/05/515551705.db2.gz VPAHMMIYRBKZDM-UHFFFAOYSA-N 1 0 369.487 2.623 20 5 FFBDRO COc1cccc([C@H]2[C@H](NC(=O)c3ccc([N+](=O)[O-])[nH]3)CC[N@@H+]2C2CC2)c1 ZINC000482047139 515557770 /nfs/dbraw/zinc/55/77/70/515557770.db2.gz WAZRZHZECOTURE-QAPCUYQASA-N 1 0 370.409 2.639 20 5 FFBDRO COc1cc(C[N@@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)ccc1[N+](=O)[O-] ZINC000492784580 515563589 /nfs/dbraw/zinc/56/35/89/515563589.db2.gz PWSPYDIGIGEIHR-AWEZNQCLSA-N 1 0 357.414 2.979 20 5 FFBDRO COC(=O)c1cnc(NCc2ccc(C[NH+](C)C)c(F)c2)c([N+](=O)[O-])c1 ZINC000477746749 515576884 /nfs/dbraw/zinc/57/68/84/515576884.db2.gz SIOWEYNHLGNZCN-UHFFFAOYSA-N 1 0 362.361 2.589 20 5 FFBDRO COCC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccc(C)o1 ZINC000500085750 515585235 /nfs/dbraw/zinc/58/52/35/515585235.db2.gz BCOBSPPDKBEICM-UHFFFAOYSA-N 1 0 361.398 2.973 20 5 FFBDRO C[C@@H](CO)[N@@H+]1CCCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1 ZINC000468969811 515606897 /nfs/dbraw/zinc/60/68/97/515606897.db2.gz LWDBXBLRAASLIB-HNNXBMFYSA-N 1 0 356.426 2.550 20 5 FFBDRO CN(C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1CC[N@@H+](C2CC2)C1 ZINC000463841098 515636746 /nfs/dbraw/zinc/63/67/46/515636746.db2.gz LTCQDOSVYGUEBW-LBPRGKRZSA-N 1 0 357.332 2.922 20 5 FFBDRO C[C@H]1CN(c2ccccc2CN(CC[NH3+])c2ccccc2[N+](=O)[O-])CCO1 ZINC000459559875 515650686 /nfs/dbraw/zinc/65/06/86/515650686.db2.gz MVYTXUSYICMGDC-INIZCTEOSA-N 1 0 370.453 2.785 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000500279382 515654081 /nfs/dbraw/zinc/65/40/81/515654081.db2.gz JZDUQWUSEYCYKG-UHFFFAOYSA-N 1 0 359.382 2.796 20 5 FFBDRO CCOc1cc(C(=O)Nc2cc(C[NH+](C)C)ccn2)c([N+](=O)[O-])cc1OC ZINC000482347761 515656746 /nfs/dbraw/zinc/65/67/46/515656746.db2.gz FIZPWRUGHGSCDC-UHFFFAOYSA-N 1 0 374.397 2.711 20 5 FFBDRO C[C@H](CNC(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1)[NH+](C)C ZINC000500300492 515660245 /nfs/dbraw/zinc/66/02/45/515660245.db2.gz AXWRYJNSGIOINR-QLFBSQMISA-N 1 0 362.474 2.757 20 5 FFBDRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000482382604 515663722 /nfs/dbraw/zinc/66/37/22/515663722.db2.gz FNYWTHKRVXZSEC-HOTGVXAUSA-N 1 0 363.458 2.848 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C1CCN(Cc2ccccn2)CC1 ZINC000482508956 515701739 /nfs/dbraw/zinc/70/17/39/515701739.db2.gz KLDXRFWDNNIOMX-UHFFFAOYSA-N 1 0 356.426 2.753 20 5 FFBDRO O=C(CC(F)(F)F)NC[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000510887564 515703389 /nfs/dbraw/zinc/70/33/89/515703389.db2.gz KRUGGGWHKCNAOG-ZDUSSCGKSA-N 1 0 359.348 2.875 20 5 FFBDRO COc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)cc1[N+](=O)[O-] ZINC000494006104 515711728 /nfs/dbraw/zinc/71/17/28/515711728.db2.gz GEEPOXXILYVORV-YOEHRIQHSA-N 1 0 369.421 2.996 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000511023059 515747800 /nfs/dbraw/zinc/74/78/00/515747800.db2.gz XTWYTNCCNGFNNU-GFCCVEGCSA-N 1 0 369.849 2.816 20 5 FFBDRO CN(c1ccccc1)c1ccc(C[N@@H+]2CCC[C@@](O)(CO)C2)cc1[N+](=O)[O-] ZINC000459704672 515757116 /nfs/dbraw/zinc/75/71/16/515757116.db2.gz HSQOYIGWTODPBL-FQEVSTJZSA-N 1 0 371.437 2.682 20 5 FFBDRO O=[N+]([O-])c1cc(C[NH2+]Cc2cnc3cnccn23)cc(C(F)(F)F)c1 ZINC000487148179 515777964 /nfs/dbraw/zinc/77/79/64/515777964.db2.gz DDLYZQIQEMSSQO-UHFFFAOYSA-N 1 0 351.288 2.946 20 5 FFBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000511097191 515779387 /nfs/dbraw/zinc/77/93/87/515779387.db2.gz UKLAZQNFEYZEJD-UHFFFAOYSA-N 1 0 372.812 2.931 20 5 FFBDRO CCN(CCC[NH+](CC)CC)S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000473933146 515808279 /nfs/dbraw/zinc/80/82/79/515808279.db2.gz OMEOUIANUQOJGE-UHFFFAOYSA-N 1 0 371.503 2.954 20 5 FFBDRO CCN(CCn1ccc([N+](=O)[O-])n1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000478437698 515822962 /nfs/dbraw/zinc/82/29/62/515822962.db2.gz QCGNYTPNZABYCL-SJLPKXTDSA-N 1 0 357.458 2.949 20 5 FFBDRO C[C@@H](CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000478526955 515858549 /nfs/dbraw/zinc/85/85/49/515858549.db2.gz DZEOGBAEUHENHF-CABCVRRESA-N 1 0 371.441 2.631 20 5 FFBDRO CCCN(CC[NH+]1CCCC1)S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000511346087 515872606 /nfs/dbraw/zinc/87/26/06/515872606.db2.gz PFJKMTIDPYVSPA-UHFFFAOYSA-N 1 0 369.487 2.708 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)CC[NH+]1CCCC1 ZINC000487554990 515904394 /nfs/dbraw/zinc/90/43/94/515904394.db2.gz GRRHPRKDDNACBV-LBPRGKRZSA-N 1 0 355.822 2.570 20 5 FFBDRO Cc1ccsc1[C@H](CO)[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000494644839 515905767 /nfs/dbraw/zinc/90/57/67/515905767.db2.gz FAKJRKAXUSRPII-HNNXBMFYSA-N 1 0 363.439 2.925 20 5 FFBDRO Cc1ccsc1[C@H](CO)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000494686503 515923593 /nfs/dbraw/zinc/92/35/93/515923593.db2.gz OGFZTBVHJRLSJR-ZDUSSCGKSA-N 1 0 369.830 2.880 20 5 FFBDRO COc1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)cc([N+](=O)[O-])c1C ZINC000478733125 515944939 /nfs/dbraw/zinc/94/49/39/515944939.db2.gz AAAWWKLWHGXBQK-KRWDZBQOSA-N 1 0 369.421 2.916 20 5 FFBDRO C[C@H]1CCCN1C(=O)CC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464782930 515956022 /nfs/dbraw/zinc/95/60/22/515956022.db2.gz CQWGGSBLMBIAHN-HNNXBMFYSA-N 1 0 361.442 2.839 20 5 FFBDRO C[N@H+](CCNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])C1CC1 ZINC000495107393 516066711 /nfs/dbraw/zinc/06/67/11/516066711.db2.gz YTUZILTYQKOKCR-UHFFFAOYSA-N 1 0 369.421 2.998 20 5 FFBDRO CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC000460208857 516068806 /nfs/dbraw/zinc/06/88/06/516068806.db2.gz HPXRHCGOIZWVCR-KGLIPLIRSA-N 1 0 358.446 2.792 20 5 FFBDRO C[NH+](C)CCOc1cnccc1CNc1c2ccccc2ncc1[N+](=O)[O-] ZINC000488075264 516107829 /nfs/dbraw/zinc/10/78/29/516107829.db2.gz OKJCIHPTDJAUEP-UHFFFAOYSA-N 1 0 367.409 2.512 20 5 FFBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000501450764 516108253 /nfs/dbraw/zinc/10/82/53/516108253.db2.gz XFZSNUSJUBUSDO-GJZGRUSLSA-N 1 0 358.442 2.786 20 5 FFBDRO CC[NH+](CC)CCOC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000465259338 516109496 /nfs/dbraw/zinc/10/94/96/516109496.db2.gz MXCKUOBDQZVSBI-UHFFFAOYSA-N 1 0 363.458 2.866 20 5 FFBDRO CC[NH+](CC)CCOC1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000465269646 516113237 /nfs/dbraw/zinc/11/32/37/516113237.db2.gz ZICVDGYUZRQGDU-UHFFFAOYSA-N 1 0 367.421 2.697 20 5 FFBDRO C[C@@H]1CN(c2c3ccccc3ncc2[N+](=O)[O-])CCN1C1CC[NH+](C)CC1 ZINC000488091190 516113759 /nfs/dbraw/zinc/11/37/59/516113759.db2.gz BNLBRDQXGVHLFU-OAHLLOKOSA-N 1 0 369.469 2.748 20 5 FFBDRO C[C@H]1CN(c2c3ccccc3ncc2[N+](=O)[O-])CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000488093078 516113953 /nfs/dbraw/zinc/11/39/53/516113953.db2.gz GCEAHFFWXAHQML-YJBOKZPZSA-N 1 0 369.469 2.605 20 5 FFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(C(=O)N2CCOCC2)CC1 ZINC000470171575 516160168 /nfs/dbraw/zinc/16/01/68/516160168.db2.gz LSXIWZAIXDHDIR-SSZFMOIBSA-N 1 0 373.453 2.569 20 5 FFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000470170581 516161340 /nfs/dbraw/zinc/16/13/40/516161340.db2.gz XLDKBAZJJWKQKN-FXFXYLOPSA-N 1 0 373.453 2.569 20 5 FFBDRO C[N@@H+]1CCCC[C@H]1CCC(=O)Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000496074214 516233933 /nfs/dbraw/zinc/23/39/33/516233933.db2.gz UOMMIJLHDPJLAG-ZDUSSCGKSA-N 1 0 358.402 2.583 20 5 FFBDRO CCC[C@](C)([NH3+])C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000496221915 516245836 /nfs/dbraw/zinc/24/58/36/516245836.db2.gz LAKSJERZHZFEMZ-AWEZNQCLSA-N 1 0 362.352 2.659 20 5 FFBDRO C[NH+](C)CCc1ccccc1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000507592675 516255667 /nfs/dbraw/zinc/25/56/67/516255667.db2.gz FYVXKXGJEOUTJC-UHFFFAOYSA-N 1 0 353.382 2.828 20 5 FFBDRO C[N@@H+]1C[C@@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)[C@@H](c2ccccc2)C1 ZINC000497402523 516320092 /nfs/dbraw/zinc/32/00/92/516320092.db2.gz UOBZKZQLIIBBQW-NVXWUHKLSA-N 1 0 364.405 2.904 20 5 FFBDRO Cc1cc(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(C)s1 ZINC000543619395 516331582 /nfs/dbraw/zinc/33/15/82/516331582.db2.gz OEAIRRXVXSAIGM-UHFFFAOYSA-N 1 0 354.453 2.837 20 5 FFBDRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000531219587 516354815 /nfs/dbraw/zinc/35/48/15/516354815.db2.gz PIWVIJOJSJKRDJ-UHFFFAOYSA-N 1 0 364.368 2.670 20 5 FFBDRO C[NH+](C)[C@H](CNC(=O)c1c(N)cccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000543712343 516383173 /nfs/dbraw/zinc/38/31/73/516383173.db2.gz GEBXSJLACZIFPG-OAHLLOKOSA-N 1 0 362.817 2.863 20 5 FFBDRO O=C1c2ccccc2C(=O)N1CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000512904149 516407622 /nfs/dbraw/zinc/40/76/22/516407622.db2.gz NOEDCJQZMRZGFT-UHFFFAOYSA-N 1 0 357.341 2.510 20 5 FFBDRO C[C@H](CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000543835794 516451415 /nfs/dbraw/zinc/45/14/15/516451415.db2.gz CAUILZZWWJOCAK-LLVKDONJSA-N 1 0 357.357 2.658 20 5 FFBDRO CCc1nnc(NC(=O)[C@H](C)[C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)s1 ZINC000513106079 516475561 /nfs/dbraw/zinc/47/55/61/516475561.db2.gz GOMYFCLDJKUZOK-GHMZBOCLSA-N 1 0 363.443 2.762 20 5 FFBDRO CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)s1 ZINC000513106080 516475856 /nfs/dbraw/zinc/47/58/56/516475856.db2.gz GOMYFCLDJKUZOK-MNOVXSKESA-N 1 0 363.443 2.762 20 5 FFBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000557877167 516483088 /nfs/dbraw/zinc/48/30/88/516483088.db2.gz AKYCUOJHBRQFFU-JKSUJKDBSA-N 1 0 362.474 2.899 20 5 FFBDRO C[C@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccc2n[nH]cc2c1 ZINC000513178665 516504941 /nfs/dbraw/zinc/50/49/41/516504941.db2.gz PWXWLSJYDQLIBO-LBPRGKRZSA-N 1 0 365.393 2.711 20 5 FFBDRO CS[C@H]1CN(c2ncnc3cccc([N+](=O)[O-])c32)C[C@@H]1[NH+]1CCCC1 ZINC000547708187 516511775 /nfs/dbraw/zinc/51/17/75/516511775.db2.gz UEEWSCWWWBWAJX-GJZGRUSLSA-N 1 0 359.455 2.554 20 5 FFBDRO CCc1cnccc1[C@@H](C)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000543981279 516524487 /nfs/dbraw/zinc/52/44/87/516524487.db2.gz NKHOIBVCSIJONQ-GFCCVEGCSA-N 1 0 358.398 2.850 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000540365791 516529406 /nfs/dbraw/zinc/52/94/06/516529406.db2.gz NZGANZJNXRFRBE-GFCCVEGCSA-N 1 0 357.366 2.921 20 5 FFBDRO O=C(NCc1ccccc1C[NH+]1CCCCCC1)c1c[nH]nc1[N+](=O)[O-] ZINC000547763789 516547949 /nfs/dbraw/zinc/54/79/49/516547949.db2.gz JYMRLLGSDCJREF-UHFFFAOYSA-N 1 0 357.414 2.624 20 5 FFBDRO CC(C)Oc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]2)[NH+](C)C)cc1 ZINC000554639035 516560522 /nfs/dbraw/zinc/56/05/22/516560522.db2.gz MYKDPZNRWOPJIL-KRWDZBQOSA-N 1 0 360.414 2.743 20 5 FFBDRO CCC[C@@H]([NH2+]CCCN(C)S(=O)(=O)CC)c1cccc([N+](=O)[O-])c1 ZINC000531681734 516594324 /nfs/dbraw/zinc/59/43/24/516594324.db2.gz GDAKYVYGYFGTIZ-MRXNPFEDSA-N 1 0 357.476 2.697 20 5 FFBDRO COCC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1ccc2c(c1)OCO2 ZINC000558363798 516707629 /nfs/dbraw/zinc/70/76/29/516707629.db2.gz XRSYANDCTBJUAO-UHFFFAOYSA-N 1 0 374.393 2.851 20 5 FFBDRO CCC[NH+](CCC)CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000524409042 516711980 /nfs/dbraw/zinc/71/19/80/516711980.db2.gz VBBGUEKWJNWXBQ-UHFFFAOYSA-N 1 0 357.476 2.694 20 5 FFBDRO O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)C1CC[NH+](C2CC2)CC1 ZINC000518630876 516728611 /nfs/dbraw/zinc/72/86/11/516728611.db2.gz DRPGPUFKLRBISH-UHFFFAOYSA-N 1 0 356.426 2.609 20 5 FFBDRO CSC1(CNC(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])CC[NH+](C)CC1 ZINC000518632699 516731994 /nfs/dbraw/zinc/73/19/94/516731994.db2.gz PIZZOGAHUIGQLI-ZDUSSCGKSA-N 1 0 366.487 2.782 20 5 FFBDRO CC[C@H](CN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000513763053 516745540 /nfs/dbraw/zinc/74/55/40/516745540.db2.gz VEDNCOFEYVKDEK-SJLPKXTDSA-N 1 0 357.458 2.882 20 5 FFBDRO O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)c1c[nH]nc1[N+](=O)[O-] ZINC000548085173 516753043 /nfs/dbraw/zinc/75/30/43/516753043.db2.gz ZKZMOJZQLWXWHA-UHFFFAOYSA-N 1 0 357.414 2.624 20 5 FFBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1 ZINC000561762603 516757210 /nfs/dbraw/zinc/75/72/10/516757210.db2.gz PBHBWZFGSKDJHQ-JJRVBVJISA-N 1 0 363.483 2.876 20 5 FFBDRO C[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1Oc2ccccc2[C@H]1C ZINC000544515861 516792517 /nfs/dbraw/zinc/79/25/17/516792517.db2.gz QJRGIXAOUSZSEZ-URYASSDKSA-N 1 0 372.421 2.877 20 5 FFBDRO Cc1cccc(NCCCC[NH+]2CCN(c3ncccn3)CC2)c1[N+](=O)[O-] ZINC000555138508 516799216 /nfs/dbraw/zinc/79/92/16/516799216.db2.gz UHWMUTKUUUXKEI-UHFFFAOYSA-N 1 0 370.457 2.708 20 5 FFBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000518871145 516802156 /nfs/dbraw/zinc/80/21/56/516802156.db2.gz XBDUBXCKXRNZAR-XHSDSOJGSA-N 1 0 361.442 2.837 20 5 FFBDRO O=[N+]([O-])c1ccc2[nH]c(CN3CC[NH+](CCc4ccccc4)CC3)nc2c1 ZINC000548180567 516810699 /nfs/dbraw/zinc/81/06/99/516810699.db2.gz JEJPIGQGHAAMAW-UHFFFAOYSA-N 1 0 365.437 2.831 20 5 FFBDRO COc1ccc(NC(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000541100987 516875056 /nfs/dbraw/zinc/87/50/56/516875056.db2.gz LXFVLMXPECMTQV-STQMWFEESA-N 1 0 350.419 2.845 20 5 FFBDRO CCc1oc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1C(=O)OC ZINC000555340331 516888408 /nfs/dbraw/zinc/88/84/08/516888408.db2.gz BUOHATZVIZMIJD-UHFFFAOYSA-N 1 0 362.386 2.570 20 5 FFBDRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000525355609 517016248 /nfs/dbraw/zinc/01/62/48/517016248.db2.gz YVIFRGISLGHPTJ-GOSISDBHSA-N 1 0 362.474 2.899 20 5 FFBDRO C[N@H+](CCc1cccc(NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)c1)C1CC1 ZINC000537168595 517064008 /nfs/dbraw/zinc/06/40/08/517064008.db2.gz CUNLZVXEMXUTMC-UHFFFAOYSA-N 1 0 356.382 2.584 20 5 FFBDRO COCC[N@@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)C1 ZINC000537170759 517067259 /nfs/dbraw/zinc/06/72/59/517067259.db2.gz UKJMYDXVDOISKR-CYBMUJFWSA-N 1 0 367.471 2.546 20 5 FFBDRO CC1=CC[N@H+](CCNC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000545162537 517081666 /nfs/dbraw/zinc/08/16/66/517081666.db2.gz NTPRCVYGVFYZQB-UHFFFAOYSA-N 1 0 357.332 2.995 20 5 FFBDRO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NC1CC([NH+]2CCCCC2)C1 ZINC000514903307 517114103 /nfs/dbraw/zinc/11/41/03/517114103.db2.gz CXOXFXNWTPXQBG-UHFFFAOYSA-N 1 0 353.369 2.549 20 5 FFBDRO COc1cc(CC[NH2+]CC2(O)CCC(C)CC2)c([N+](=O)[O-])cc1OC ZINC000562450155 517116451 /nfs/dbraw/zinc/11/64/51/517116451.db2.gz TXNSMALFJJNKJF-UHFFFAOYSA-N 1 0 352.431 2.685 20 5 FFBDRO O=C1CC[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)[C@@H](C2CC2)N1 ZINC000559234414 517125245 /nfs/dbraw/zinc/12/52/45/517125245.db2.gz MVVBPAAWNAKPGH-UKRRQHHQSA-N 1 0 357.332 2.760 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H](O)[C@H]3CCOC3)o2)c(Cl)c1 ZINC000537315445 517139396 /nfs/dbraw/zinc/13/93/96/517139396.db2.gz SCWNWGQHRABOPJ-MEDUHNTESA-N 1 0 366.801 2.995 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C ZINC000552338773 517205359 /nfs/dbraw/zinc/20/53/59/517205359.db2.gz PCEYXUQVPCDCNF-XYTVBORESA-N 1 0 374.485 2.637 20 5 FFBDRO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000537503819 517211089 /nfs/dbraw/zinc/21/10/89/517211089.db2.gz RAXSBWZCBWMOFI-KRWDZBQOSA-N 1 0 369.487 2.529 20 5 FFBDRO C[C@H](C[N@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1ccccc1 ZINC000532942554 517215179 /nfs/dbraw/zinc/21/51/79/517215179.db2.gz LPRBHUWQNXUSML-CYBMUJFWSA-N 1 0 371.393 2.998 20 5 FFBDRO COc1ccc(NC(=O)CC[NH+]2C[C@@H](C)S[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000532969379 517228485 /nfs/dbraw/zinc/22/84/85/517228485.db2.gz COTPVVUQFQRFCR-VXGBXAGGSA-N 1 0 353.444 2.758 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000537673119 517290123 /nfs/dbraw/zinc/29/01/23/517290123.db2.gz BXQFNAFSSCFPFU-QGZVFWFLSA-N 1 0 351.472 2.687 20 5 FFBDRO O=C(CN1CCCC[C@@H]1[C@H]1CCC[NH2+]1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000520206405 517299891 /nfs/dbraw/zinc/29/98/91/517299891.db2.gz HJQOALMPZCNCDI-HZPDHXFCSA-N 1 0 366.849 2.793 20 5 FFBDRO C[C@@H]1CCCC[C@H]1OCC[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000548950111 517324218 /nfs/dbraw/zinc/32/42/18/517324218.db2.gz LGEXOWUBEXZIED-QGPMSJSTSA-N 1 0 352.431 2.519 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1-c1nc(-c2ccnc(OCC[NH+](C)C)c2)no1 ZINC000545780931 517365073 /nfs/dbraw/zinc/36/50/73/517365073.db2.gz ZBHDQARUUWZJPX-UHFFFAOYSA-N 1 0 369.381 2.956 20 5 FFBDRO CC(C)[N@H+](C)CC1CCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000533409434 517451816 /nfs/dbraw/zinc/45/18/16/517451816.db2.gz WTHRVMLOPLGPTL-OAHLLOKOSA-N 1 0 362.474 2.974 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@H]1C ZINC000533447350 517469402 /nfs/dbraw/zinc/46/94/02/517469402.db2.gz GKHCPFIEUZOVQO-BBRMVZONSA-N 1 0 359.430 2.949 20 5 FFBDRO Cc1cc([N+](=O)[O-])cnc1NCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000538136094 517479240 /nfs/dbraw/zinc/47/92/40/517479240.db2.gz GFFQMYYFLGCETI-UHFFFAOYSA-N 1 0 370.453 2.849 20 5 FFBDRO Cc1c(Cl)cccc1N1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000556532578 517479940 /nfs/dbraw/zinc/47/99/40/517479940.db2.gz VKKHASWFLLRNCL-UHFFFAOYSA-N 1 0 363.849 2.965 20 5 FFBDRO O=C([C@H]1C[NH2+]Cc2ccccc21)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000520818282 517522910 /nfs/dbraw/zinc/52/29/10/517522910.db2.gz DLKNSGZPZNJEPH-IBGZPJMESA-N 1 0 351.406 2.973 20 5 FFBDRO COc1ccc(C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000515989140 517530781 /nfs/dbraw/zinc/53/07/81/517530781.db2.gz GDEXRHGZPXINRL-INIZCTEOSA-N 1 0 357.410 2.506 20 5 FFBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)NC[C@H]2Cc3ccccc3O2)cc1[N+](=O)[O-] ZINC000538277298 517536133 /nfs/dbraw/zinc/53/61/33/517536133.db2.gz PQLHSQGRKYQRBZ-RHSMWYFYSA-N 1 0 369.421 2.674 20 5 FFBDRO CCCN(CC[NH+]1CCCCC1)C(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000553159041 517550312 /nfs/dbraw/zinc/55/03/12/517550312.db2.gz AIEWASGXDUEJTI-UHFFFAOYSA-N 1 0 363.458 2.870 20 5 FFBDRO C[C@@H]1C[N@H+](C(C)(C)CNc2ncnc3sc([N+](=O)[O-])cc32)C[C@H](C)O1 ZINC000553247354 517599710 /nfs/dbraw/zinc/59/97/10/517599710.db2.gz VECNADWFMHGMJI-PHIMTYICSA-N 1 0 365.459 2.899 20 5 FFBDRO Cc1ccc(O[C@@H](C)C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000516276580 517647004 /nfs/dbraw/zinc/64/70/04/517647004.db2.gz FGCQJSFPCBXCHT-RDJZCZTQSA-N 1 0 360.410 2.700 20 5 FFBDRO C[C@H]1CCC[C@](CNC(=O)NCCc2cccc([N+](=O)[O-])c2)([NH+](C)C)C1 ZINC000533914615 517667147 /nfs/dbraw/zinc/66/71/47/517667147.db2.gz AKSJJWCUDNOUGG-KXBFYZLASA-N 1 0 362.474 2.947 20 5 FFBDRO Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000563153427 517698051 /nfs/dbraw/zinc/69/80/51/517698051.db2.gz SFANKEZDIDAYAM-LJQANCHMSA-N 1 0 368.437 2.878 20 5 FFBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000546563986 517727131 /nfs/dbraw/zinc/72/71/31/517727131.db2.gz LQBSLXCOEVDROQ-CQSZACIVSA-N 1 0 351.422 2.954 20 5 FFBDRO C[C@@H]1CN(C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C[C@@H](C)[NH2+]1 ZINC000521433787 517731086 /nfs/dbraw/zinc/73/10/86/517731086.db2.gz YNHLCOXXQDKDEC-GHMZBOCLSA-N 1 0 371.387 2.782 20 5 FFBDRO CNC(=O)COc1cccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000556898456 517735473 /nfs/dbraw/zinc/73/54/73/517735473.db2.gz KXFOSOVWFDOMRP-CQSZACIVSA-N 1 0 357.410 2.879 20 5 FFBDRO CC[C@H]([NH2+][C@@H]1CCCN(S(=O)(=O)C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000556899259 517735614 /nfs/dbraw/zinc/73/56/14/517735614.db2.gz XWIYWQGWTRPHRS-PBHICJAKSA-N 1 0 367.471 2.592 20 5 FFBDRO COc1cc(C[NH2+]C[C@@]2(O)CCC[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000556958066 517773883 /nfs/dbraw/zinc/77/38/83/517773883.db2.gz CAGVBDKRAXSXJI-GTNSWQLSSA-N 1 0 374.384 2.888 20 5 FFBDRO C[C@@H](CNC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1)C[NH+](C)C ZINC000557063616 517832362 /nfs/dbraw/zinc/83/23/62/517832362.db2.gz RUMKJFKZOHDSDV-CABCVRRESA-N 1 0 362.474 2.759 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@](C)([NH3+])Cc2ccc(OC)cc2)c1 ZINC000542970635 517845634 /nfs/dbraw/zinc/84/56/34/517845634.db2.gz POEIDKYDOQJUPC-IBGZPJMESA-N 1 0 373.409 2.762 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000542973299 517847601 /nfs/dbraw/zinc/84/76/01/517847601.db2.gz XOMPNEZYYFQJCY-UHFFFAOYSA-N 1 0 370.409 2.853 20 5 FFBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000553694123 517856646 /nfs/dbraw/zinc/85/66/46/517856646.db2.gz NIMFAFUYCZDSBO-LBPRGKRZSA-N 1 0 367.471 2.930 20 5 FFBDRO CC(C)(CO)[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000550102267 517863538 /nfs/dbraw/zinc/86/35/38/517863538.db2.gz KDBNFWCKPTXBDU-HNNXBMFYSA-N 1 0 355.822 2.573 20 5 FFBDRO C[N@@H+]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H](c2ccccc2)C1 ZINC000557163533 517892955 /nfs/dbraw/zinc/89/29/55/517892955.db2.gz VXWWFSDJARIGMZ-GOSISDBHSA-N 1 0 351.410 2.960 20 5 FFBDRO CC[C@H]([NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)C(F)(F)F ZINC000539045562 517895244 /nfs/dbraw/zinc/89/52/44/517895244.db2.gz BDLWUDIWHXTGTA-DUFXMDAXSA-N 1 0 363.336 2.603 20 5 FFBDRO CC[N@H+](CCC1CCN(Cc2c([N+](=O)[O-])ncn2C)CC1)CC(C)C ZINC000539097804 517911388 /nfs/dbraw/zinc/91/13/88/517911388.db2.gz ZPWGNNGAFTZLFE-UHFFFAOYSA-N 1 0 351.495 2.908 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@H](COc2ccccc2)C1 ZINC000543185953 517954545 /nfs/dbraw/zinc/95/45/45/517954545.db2.gz BKOBWQLZFRATCT-IRXDYDNUSA-N 1 0 372.421 2.735 20 5 FFBDRO CC(C)C1CCC([NH+]2CCN(C(=O)c3cc([N+](=O)[O-])cn3C)CC2)CC1 ZINC000530759335 517964569 /nfs/dbraw/zinc/96/45/69/517964569.db2.gz LNQWYIBXUGBLKR-UHFFFAOYSA-N 1 0 362.474 2.906 20 5 FFBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000534643359 517979306 /nfs/dbraw/zinc/97/93/06/517979306.db2.gz SQGPAHNXQQTFEQ-BZUAXINKSA-N 1 0 362.474 2.803 20 5 FFBDRO COc1ccc(CC(=O)N(CC(C)C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000522265195 518054914 /nfs/dbraw/zinc/05/49/14/518054914.db2.gz MTHPIWPKRDOLKO-UHFFFAOYSA-N 1 0 363.458 2.725 20 5 FFBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000554115883 518067649 /nfs/dbraw/zinc/06/76/49/518067649.db2.gz WKZNXJZVVOPNJF-CRAIPNDOSA-N 1 0 360.458 2.872 20 5 FFBDRO Cc1c(Br)c(N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)ncc1[N+](=O)[O-] ZINC000543437363 518090417 /nfs/dbraw/zinc/09/04/17/518090417.db2.gz UBVMRRDKWLVVFD-RYUDHWBXSA-N 1 0 369.263 2.981 20 5 FFBDRO C[C@@H](CNc1ncnc2cccc([N+](=O)[O-])c21)[N@@H+]1CCc2sccc2C1 ZINC000543438729 518092833 /nfs/dbraw/zinc/09/28/33/518092833.db2.gz TYAGFZHROMEVNX-LBPRGKRZSA-N 1 0 369.450 2.880 20 5 FFBDRO CC(C)n1cc([C@H](C)[NH2+][C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cn1 ZINC000543503552 518121226 /nfs/dbraw/zinc/12/12/26/518121226.db2.gz CHKZXJAHVVNHCU-SUMWQHHRSA-N 1 0 357.414 2.828 20 5 FFBDRO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000547421569 518131230 /nfs/dbraw/zinc/13/12/30/518131230.db2.gz DPDUUVFNUZNEPM-GOSISDBHSA-N 1 0 356.426 2.876 20 5 FFBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000522651379 518140854 /nfs/dbraw/zinc/14/08/54/518140854.db2.gz NTVBZYMPKQIEBO-KGLIPLIRSA-N 1 0 367.833 2.760 20 5 FFBDRO C[C@@H]1COCCN1CC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000539703273 518143074 /nfs/dbraw/zinc/14/30/74/518143074.db2.gz XNEIWHCLRJIODP-CYBMUJFWSA-N 1 0 362.455 2.529 20 5 FFBDRO Cc1ccc(OC[C@@H](O)CN2CCOc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000563843248 518144823 /nfs/dbraw/zinc/14/48/23/518144823.db2.gz RWYPFEPKDJZEBV-KRWDZBQOSA-N 1 0 358.394 2.538 20 5 FFBDRO CCC[C@H]1CN(C(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1CCOC ZINC000563849081 518148870 /nfs/dbraw/zinc/14/88/70/518148870.db2.gz HPARUKZBKHDBRX-QAPCUYQASA-N 1 0 363.458 2.658 20 5 FFBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000539810155 518165906 /nfs/dbraw/zinc/16/59/06/518165906.db2.gz SUVVYSMOBVDUGL-LLVKDONJSA-N 1 0 357.357 2.656 20 5 FFBDRO C[C@@H](C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000569778251 518283141 /nfs/dbraw/zinc/28/31/41/518283141.db2.gz DFGBIJKRRKBRHC-CRAIPNDOSA-N 1 0 355.438 2.987 20 5 FFBDRO CCOC(=O)c1ccnc(N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000581455832 518291846 /nfs/dbraw/zinc/29/18/46/518291846.db2.gz BJNYQAMCCALFRC-MJBXVCDLSA-N 1 0 364.446 2.945 20 5 FFBDRO CCC[C@H]1C[NH2+]CCN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000564083628 518298708 /nfs/dbraw/zinc/29/87/08/518298708.db2.gz NTXUJRFTROHPMP-NSHDSACASA-N 1 0 356.220 2.571 20 5 FFBDRO O=[N+]([O-])c1ccc(OC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1CO ZINC000575958603 518360345 /nfs/dbraw/zinc/36/03/45/518360345.db2.gz ZQYQGJAVZAFFOT-IBGZPJMESA-N 1 0 372.421 2.757 20 5 FFBDRO COc1ccc2c(c1)OC[C@H]([NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)C2 ZINC000584477323 518360992 /nfs/dbraw/zinc/36/09/92/518360992.db2.gz NHIPHGSZJCBJPS-PVAVHDDUSA-N 1 0 372.425 2.877 20 5 FFBDRO O=C(CC[NH2+]Cc1ccc2c(c1)OCCCO2)Nc1ccccc1[N+](=O)[O-] ZINC000564321134 518397122 /nfs/dbraw/zinc/39/71/22/518397122.db2.gz GLOGAWJWGXDMMZ-UHFFFAOYSA-N 1 0 371.393 2.875 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CC2(Cc3ccccc3)CC2)c1 ZINC000570081950 518433592 /nfs/dbraw/zinc/43/35/92/518433592.db2.gz PGFXDRHLEJFKEF-GOSISDBHSA-N 1 0 356.422 2.947 20 5 FFBDRO CCOc1cc(NC(=O)N[C@H](C)C[C@@H](C)[NH3+])c([N+](=O)[O-])cc1OCC ZINC000567269641 518439544 /nfs/dbraw/zinc/43/95/44/518439544.db2.gz QASOZKQZOHJQBS-GHMZBOCLSA-N 1 0 354.407 2.640 20 5 FFBDRO CCc1nn(C)c(CC)c1C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000567377958 518494013 /nfs/dbraw/zinc/49/40/13/518494013.db2.gz KCDMNSOZLDRLPT-UHFFFAOYSA-N 1 0 359.430 2.572 20 5 FFBDRO O=C(CC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)Nc1ccccc1 ZINC000581983127 518530207 /nfs/dbraw/zinc/53/02/07/518530207.db2.gz XLTMRGNAFXEBLF-HZPDHXFCSA-N 1 0 357.414 2.893 20 5 FFBDRO O=C(CCN1CC[NH2+]C[C@@H]1c1cccc(F)c1)Nc1ccc([N+](=O)[O-])cc1 ZINC000564729672 518585742 /nfs/dbraw/zinc/58/57/42/518585742.db2.gz RQRNPWXDRWIDFR-GOSISDBHSA-N 1 0 372.400 2.709 20 5 FFBDRO C[N@@H+]1CC[C@@H]2OCCN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)[C@H]2C1 ZINC000585783657 518595931 /nfs/dbraw/zinc/59/59/31/518595931.db2.gz ZLUVLQCGSKGCCF-IRXDYDNUSA-N 1 0 354.410 2.566 20 5 FFBDRO Cc1cc2cc(C[NH2+]C[C@H](O)COc3cccc([N+](=O)[O-])c3)ccc2[nH]1 ZINC000567606614 518610720 /nfs/dbraw/zinc/61/07/20/518610720.db2.gz YKWNIBHSZQAIAD-KRWDZBQOSA-N 1 0 355.394 2.914 20 5 FFBDRO C[N@H+](CCC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)C1CCCCC1 ZINC000570460249 518618381 /nfs/dbraw/zinc/61/83/81/518618381.db2.gz WYBVLXSUVFRBKU-UHFFFAOYSA-N 1 0 361.442 2.970 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H]2CCc3c2ccc(Cl)c3Cl)c1 ZINC000576512256 518628703 /nfs/dbraw/zinc/62/87/03/518628703.db2.gz RYAXMVGIGLPXLI-HZMBPMFUSA-N 1 0 371.224 2.736 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(CN2CCC[N@H+](C[C@H]3CCCO3)CC2)c(F)c1 ZINC000586760549 518632264 /nfs/dbraw/zinc/63/22/64/518632264.db2.gz LEVBJTMJCFGYCJ-CQSZACIVSA-N 1 0 355.385 2.560 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2[C@@H]3CCc4ccccc4[C@@H]32)cc1 ZINC000567688148 518656050 /nfs/dbraw/zinc/65/60/50/518656050.db2.gz JVDOJNNWWJCXDK-CEXWTWQISA-N 1 0 372.446 2.687 20 5 FFBDRO C[C@H]1C[NH+](CCCCNc2ncnc3sc([N+](=O)[O-])cc32)C[C@H](C)O1 ZINC000587994478 518693946 /nfs/dbraw/zinc/69/39/46/518693946.db2.gz KTZKDQHRKYYHOY-RYUDHWBXSA-N 1 0 365.459 2.901 20 5 FFBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000573534845 518710754 /nfs/dbraw/zinc/71/07/54/518710754.db2.gz SLYRZPZEUNZQCF-AWEZNQCLSA-N 1 0 373.457 2.602 20 5 FFBDRO C[C@H](Nc1ccc(C(=O)N(C)C2CC([NH3+])C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000567846544 518744220 /nfs/dbraw/zinc/74/42/20/518744220.db2.gz GQDHUQBRMYIJFE-GRTSSRMGSA-N 1 0 369.425 2.725 20 5 FFBDRO CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000579586901 518753417 /nfs/dbraw/zinc/75/34/17/518753417.db2.gz NJPFHLHNGWLMAB-NWDGAFQWSA-N 1 0 374.363 2.530 20 5 FFBDRO C[C@@H]1C[C@H](NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)CC[NH2+]1 ZINC000582485751 518778143 /nfs/dbraw/zinc/77/81/43/518778143.db2.gz GPICAODXZSHCNP-ZWNOBZJWSA-N 1 0 371.387 2.830 20 5 FFBDRO CSC1(CNC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CC[NH+](C)CC1 ZINC000582758591 518905070 /nfs/dbraw/zinc/90/50/70/518905070.db2.gz XYAZSRVZWOIUAB-ZDUSSCGKSA-N 1 0 366.487 2.782 20 5 FFBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000582774890 518915042 /nfs/dbraw/zinc/91/50/42/518915042.db2.gz GIJHWFDBUPIMSA-QGZVFWFLSA-N 1 0 366.849 2.576 20 5 FFBDRO CSc1ccc(F)cc1C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000573954123 518916734 /nfs/dbraw/zinc/91/67/34/518916734.db2.gz MFHKTPBAACOTBW-HNNXBMFYSA-N 1 0 366.414 2.985 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CCc2ccc3ccccc3n2)c1 ZINC000582780200 518918580 /nfs/dbraw/zinc/91/85/80/518918580.db2.gz HSWDVAMMVMJBGN-GOSISDBHSA-N 1 0 367.405 2.715 20 5 FFBDRO CCOC(=O)c1cc(C(=O)NCC2([NH3+])CCCCCC2)cc([N+](=O)[O-])c1 ZINC000577204162 518964457 /nfs/dbraw/zinc/96/44/57/518964457.db2.gz TVQOZOIREPNDOA-UHFFFAOYSA-N 1 0 363.414 2.553 20 5 FFBDRO C[C@H]([NH2+][C@H]1CCN(C)[C@@H]1c1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000574061730 518970130 /nfs/dbraw/zinc/97/01/30/518970130.db2.gz CMDPTIREVVXOPK-ZOCIIQOWSA-N 1 0 368.437 2.957 20 5 FFBDRO C[NH+](C)CCc1ccccc1NC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000571198842 518975301 /nfs/dbraw/zinc/97/53/01/518975301.db2.gz CBUWFFUUGPARBP-MRXNPFEDSA-N 1 0 359.426 2.551 20 5 FFBDRO COc1ccc(C(=O)NCC[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000565551571 519014628 /nfs/dbraw/zinc/01/46/28/519014628.db2.gz YCYFFGKWMYWMLR-KRWDZBQOSA-N 1 0 355.394 2.610 20 5 FFBDRO CC(C)Cc1ccc([C@H](CNC(=O)c2c([N+](=O)[O-])cnn2C)[NH+](C)C)cc1 ZINC000565562667 519018168 /nfs/dbraw/zinc/01/81/68/519018168.db2.gz WQCCRLYPCJSHOF-INIZCTEOSA-N 1 0 373.457 2.560 20 5 FFBDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000580388022 519146285 /nfs/dbraw/zinc/14/62/85/519146285.db2.gz HPYMLLLTTYMQHG-MAUKXSAKSA-N 1 0 363.458 2.658 20 5 FFBDRO Cc1cccc2[nH]cc(CC[NH2+]C[C@H](O)COc3ccccc3[N+](=O)[O-])c21 ZINC000565887437 519181292 /nfs/dbraw/zinc/18/12/92/519181292.db2.gz QKYLAIQQOPFRSS-INIZCTEOSA-N 1 0 369.421 2.957 20 5 FFBDRO C[C@@]1(CNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CCC[NH2+]C1 ZINC000574511637 519190016 /nfs/dbraw/zinc/19/00/16/519190016.db2.gz PTDWQGAHFHZEPJ-QGZVFWFLSA-N 1 0 360.439 2.838 20 5 FFBDRO CC(C)[N@@H+](C)C[C@@H](C)Nc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000577687711 519202294 /nfs/dbraw/zinc/20/22/94/519202294.db2.gz MAKLFGNFGBJDBX-CYBMUJFWSA-N 1 0 359.430 2.700 20 5 FFBDRO Cc1c(C[NH2+]CCS(=O)(=O)c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000574631022 519250527 /nfs/dbraw/zinc/25/05/27/519250527.db2.gz CGHOLQINGOBOHJ-UHFFFAOYSA-N 1 0 352.387 2.606 20 5 FFBDRO CN(c1ccccc1)c1ccc(C[N@H+](C)[C@@H]2COC[C@H]2O)cc1[N+](=O)[O-] ZINC000566036588 519257849 /nfs/dbraw/zinc/25/78/49/519257849.db2.gz OGVPYFZBEHNWCC-RTBURBONSA-N 1 0 357.410 2.554 20 5 FFBDRO CC[NH2+]CCCNC(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000571760690 519262366 /nfs/dbraw/zinc/26/23/66/519262366.db2.gz MOPNIONBALDJBP-GJZGRUSLSA-N 1 0 362.474 2.807 20 5 FFBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000590567157 519268279 /nfs/dbraw/zinc/26/82/79/519268279.db2.gz YQUORVRUPDSOIY-ABAIWWIYSA-N 1 0 360.439 2.883 20 5 FFBDRO Cc1ccc(NC(=O)CC[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)nc1 ZINC000583495711 519279286 /nfs/dbraw/zinc/27/92/86/519279286.db2.gz RLPVVDOOVMUUSX-UHFFFAOYSA-N 1 0 367.409 2.940 20 5 FFBDRO COc1ccc(NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)cc1[N+](=O)[O-] ZINC000574702110 519289174 /nfs/dbraw/zinc/28/91/74/519289174.db2.gz SMEWLGQYUKOYDD-CQSZACIVSA-N 1 0 365.455 2.759 20 5 FFBDRO O=C1[C@@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CCCN1CC(F)(F)F ZINC000574704435 519289444 /nfs/dbraw/zinc/28/94/44/519289444.db2.gz WNPQRBJBJGGQLN-STQMWFEESA-N 1 0 357.332 2.725 20 5 FFBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3ccc(Br)cc3[N+](=O)[O-])C[C@@H]21 ZINC000566099761 519299188 /nfs/dbraw/zinc/29/91/88/519299188.db2.gz VFRQQIUELPVBCD-JIMOISOXSA-N 1 0 368.231 2.557 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@H](C(C)C)[C@@H](CO)C(C)C)c1 ZINC000590659158 519305427 /nfs/dbraw/zinc/30/54/27/519305427.db2.gz AOENUISLRUEEDW-DOTOQJQBSA-N 1 0 352.431 2.760 20 5 FFBDRO CC[NH+](CC)CCO[C@@H]1CCN(c2ccc([N+](=O)[O-])c(OC(C)C)n2)C1 ZINC000577886525 519308231 /nfs/dbraw/zinc/30/82/31/519308231.db2.gz NEPKNWPWYAUXRX-OAHLLOKOSA-N 1 0 366.462 2.714 20 5 FFBDRO CC(C)[NH+]1CCN([C@H]2CCN(c3nccc4c3cccc4[N+](=O)[O-])C2)CC1 ZINC000590692865 519319190 /nfs/dbraw/zinc/31/91/90/519319190.db2.gz BCJPQQJFZCDCEZ-INIZCTEOSA-N 1 0 369.469 2.748 20 5 FFBDRO CC(C)[NH+]1CCN([C@@H]2CCN(c3nccc4c3cccc4[N+](=O)[O-])C2)CC1 ZINC000590692866 519319339 /nfs/dbraw/zinc/31/93/39/519319339.db2.gz BCJPQQJFZCDCEZ-MRXNPFEDSA-N 1 0 369.469 2.748 20 5 FFBDRO O=C(CC[N@@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1)Nc1ccc([N+](=O)[O-])cc1 ZINC000583722169 519397887 /nfs/dbraw/zinc/39/78/87/519397887.db2.gz KUVKKBOEOORSRA-FUHWJXTLSA-N 1 0 359.426 2.957 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC[C@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)n1 ZINC000574933661 519411822 /nfs/dbraw/zinc/41/18/22/519411822.db2.gz BLKNABGOMXHOIT-MJBXVCDLSA-N 1 0 362.430 2.618 20 5 FFBDRO CC[NH2+]CCCNC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000580950902 519443419 /nfs/dbraw/zinc/44/34/19/519443419.db2.gz HKLOMVMUAYSISH-CQSZACIVSA-N 1 0 371.441 2.892 20 5 FFBDRO C[NH+](C)[C@@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)C1 ZINC000583822984 519451801 /nfs/dbraw/zinc/45/18/01/519451801.db2.gz FNLWYZQIBXFLMU-UONOGXRCSA-N 1 0 366.437 2.855 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CCc1c[nH]c2ccc(F)cc12 ZINC000578186773 519464422 /nfs/dbraw/zinc/46/44/22/519464422.db2.gz BJAUHOPVPFPAQA-OAHLLOKOSA-N 1 0 373.384 2.787 20 5 FFBDRO CC(C)(C)[N@@H+]1CCCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000569302517 519476154 /nfs/dbraw/zinc/47/61/54/519476154.db2.gz AISGDGCAUTVENC-UHFFFAOYSA-N 1 0 355.385 2.748 20 5 FFBDRO C[C@@H]1Oc2cc(F)ccc2[C@H]1[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000578232773 519488751 /nfs/dbraw/zinc/48/87/51/519488751.db2.gz HVKNZYOEXODSFD-FNFWKMNBSA-N 1 0 362.357 2.585 20 5 FFBDRO CC(C)(NC(=O)Nc1cnc2c(c1)C[NH2+]CC2)c1ccccc1[N+](=O)[O-] ZINC000591310702 519585867 /nfs/dbraw/zinc/58/58/67/519585867.db2.gz CUJOMHGJDXFXLY-UHFFFAOYSA-N 1 0 355.398 2.692 20 5 FFBDRO O=[N+]([O-])c1cc2c(nc1N1CCC[C@H]([NH+]3CCOCC3)CC1)CCCC2 ZINC000581260442 519603385 /nfs/dbraw/zinc/60/33/85/519603385.db2.gz IPHAPHCKAOPTNK-INIZCTEOSA-N 1 0 360.458 2.560 20 5 FFBDRO Cc1c(NC(=O)[C@@H](C)N2CC[N@H+](C)[C@H](C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000602875311 519942430 /nfs/dbraw/zinc/94/24/30/519942430.db2.gz ZMKYUMDBCXYBKV-PBHICJAKSA-N 1 0 362.474 2.892 20 5 FFBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000599909796 519944430 /nfs/dbraw/zinc/94/44/30/519944430.db2.gz ZZFTUROVNJTNSV-VQTJNVASSA-N 1 0 367.449 2.941 20 5 FFBDRO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N[C@H]1CC[NH2+]C12CCC2 ZINC000599917362 519949650 /nfs/dbraw/zinc/94/96/50/519949650.db2.gz JIALRQNBDMQJTI-ZDUSSCGKSA-N 1 0 372.347 2.697 20 5 FFBDRO Cc1c(CNC(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000599918773 519949702 /nfs/dbraw/zinc/94/97/02/519949702.db2.gz QDYNEYKGNNXHMA-STQMWFEESA-N 1 0 374.363 2.572 20 5 FFBDRO Cc1noc(C)c1[C@H](C)[NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000612461581 519973746 /nfs/dbraw/zinc/97/37/46/519973746.db2.gz JWZLVBQZBNJHEW-JTQLQIEISA-N 1 0 360.370 2.848 20 5 FFBDRO COC(=O)[C@@]1(C)C[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H]1C ZINC000602929458 519977842 /nfs/dbraw/zinc/97/78/42/519977842.db2.gz PAPUKNYEJODQBU-SGTLLEGYSA-N 1 0 359.382 2.881 20 5 FFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000591685102 519997187 /nfs/dbraw/zinc/99/71/87/519997187.db2.gz NLWGAVJPILXQAA-WMLDXEAASA-N 1 0 372.400 2.560 20 5 FFBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000600029499 520008049 /nfs/dbraw/zinc/00/80/49/520008049.db2.gz KRDUGGCFBINVAA-SNVBAGLBSA-N 1 0 356.220 2.524 20 5 FFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H](C)C(=O)OC(C)(C)C ZINC000594514323 520010189 /nfs/dbraw/zinc/01/01/89/520010189.db2.gz NVEKWKOMPFXEKC-QWHCGFSZSA-N 1 0 365.430 2.879 20 5 FFBDRO Cn1nnc2c1CC[C@H]([NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])C2 ZINC000594523552 520014008 /nfs/dbraw/zinc/01/40/08/520014008.db2.gz YVAQTWMGWVMHEU-BPUTZDHNSA-N 1 0 355.442 2.582 20 5 FFBDRO CC(C)(C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000591753795 520022358 /nfs/dbraw/zinc/02/23/58/520022358.db2.gz KSQLFDMKHVULCQ-PBHICJAKSA-N 1 0 352.431 2.519 20 5 FFBDRO CCOc1ccc(OC[C@@H](O)C[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000591763451 520028992 /nfs/dbraw/zinc/02/89/92/520028992.db2.gz HDUWFCRVUZHDDM-INIZCTEOSA-N 1 0 360.410 2.831 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCN4CCOC[C@H]4C3)s2)cc1 ZINC000612589967 520037777 /nfs/dbraw/zinc/03/77/77/520037777.db2.gz DZWLSZKZLMZXFD-MRXNPFEDSA-N 1 0 359.451 2.840 20 5 FFBDRO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CC[NH2+]C2(CCCCC2)C1 ZINC000594628975 520060834 /nfs/dbraw/zinc/06/08/34/520060834.db2.gz SKJJMTJXPHZUPG-UHFFFAOYSA-N 1 0 372.469 2.943 20 5 FFBDRO COc1ccc(-c2ccc(C[N@H+](C)[C@H]3CCC(=O)N(C)C3)o2)c([N+](=O)[O-])c1 ZINC000600178259 520103279 /nfs/dbraw/zinc/10/32/79/520103279.db2.gz JOFYFVMGMHTNSD-ZDUSSCGKSA-N 1 0 373.409 2.916 20 5 FFBDRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NCc2ccc([N+](=O)[O-])cc2)cc1F ZINC000594738635 520125091 /nfs/dbraw/zinc/12/50/91/520125091.db2.gz IXYFWYRWJQIMOM-WMZOPIPTSA-N 1 0 359.401 2.978 20 5 FFBDRO CC(C)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cn2C)CC[N@@H+]1Cc1ccccc1 ZINC000600251899 520158094 /nfs/dbraw/zinc/15/80/94/520158094.db2.gz DOTBIFLUSWHHGR-LJQANCHMSA-N 1 0 370.453 2.916 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC000594793094 520161971 /nfs/dbraw/zinc/16/19/71/520161971.db2.gz UVAITUGCUNNDOY-CQSZACIVSA-N 1 0 369.487 2.610 20 5 FFBDRO C[NH+]1CCC2(CCN(C(=O)c3cc(-c4ccc([N+](=O)[O-])cc4)n[nH]3)C2)CC1 ZINC000597665713 520165864 /nfs/dbraw/zinc/16/58/64/520165864.db2.gz DQVKFNQWKCKHMG-UHFFFAOYSA-N 1 0 369.425 2.543 20 5 FFBDRO Cc1nn(C)c(C(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)c1[N+](=O)[O-] ZINC000609017604 520178108 /nfs/dbraw/zinc/17/81/08/520178108.db2.gz DVZPBTDFYXVTMN-MRXNPFEDSA-N 1 0 371.441 2.594 20 5 FFBDRO Cc1sc(S(=O)(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000594854472 520190218 /nfs/dbraw/zinc/19/02/18/520190218.db2.gz LWYJAGGPOPMPFH-GFCCVEGCSA-N 1 0 373.500 2.650 20 5 FFBDRO C[N@H+](CCN1CCN(c2ccc([N+](=O)[O-])s2)CC1)Cc1ccccc1 ZINC000609150026 520209714 /nfs/dbraw/zinc/20/97/14/520209714.db2.gz ACIKMWVEFFMJQT-UHFFFAOYSA-N 1 0 360.483 2.910 20 5 FFBDRO CC[NH+](CC)CCN(CCOC)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000609188648 520224493 /nfs/dbraw/zinc/22/44/93/520224493.db2.gz HQQNDUMYRKYVQP-UHFFFAOYSA-N 1 0 357.838 2.679 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](C(=O)NCc2ccccc2)C1 ZINC000592155828 520233243 /nfs/dbraw/zinc/23/32/43/520233243.db2.gz RASDWRULICACTF-MRXNPFEDSA-N 1 0 369.421 2.742 20 5 FFBDRO COc1cc(C[N@@H+]2CC[C@@H](C(=O)NCc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000592155556 520233449 /nfs/dbraw/zinc/23/34/49/520233449.db2.gz OXJHBPKCCBQKQX-QGZVFWFLSA-N 1 0 369.421 2.742 20 5 FFBDRO C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNCc2ccc([N+](=O)[O-])cc2F)C1 ZINC000594994288 520247275 /nfs/dbraw/zinc/24/72/75/520247275.db2.gz JLXHTPQNWIHIFJ-LJQANCHMSA-N 1 0 372.444 2.640 20 5 FFBDRO O=[N+]([O-])c1ccc2ncnc(NC3CC[NH+](C4CCOCC4)CC3)c2c1 ZINC000603407277 520251478 /nfs/dbraw/zinc/25/14/78/520251478.db2.gz CPMWCFUMFFFLHT-UHFFFAOYSA-N 1 0 357.414 2.593 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H]1CCC2(CCOCC2)[C@H]1O ZINC000595038294 520265787 /nfs/dbraw/zinc/26/57/87/520265787.db2.gz IUQMBTNGEUWONI-IYOUNJFTSA-N 1 0 364.442 2.822 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCCNC(=O)c1cccc(O)c1 ZINC000595040880 520267173 /nfs/dbraw/zinc/26/71/73/520267173.db2.gz PGRLTYXLLIIVID-ZDUSSCGKSA-N 1 0 373.409 2.780 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H]1CCCN(c2cc(C)nn2C)C1 ZINC000595048924 520269744 /nfs/dbraw/zinc/26/97/44/520269744.db2.gz SOAVRWJSEQQQME-HUUCEWRRSA-N 1 0 373.457 2.965 20 5 FFBDRO Cn1ccnc1[C@@H](NC[C@H]1CC[N@@H+]1C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000595049802 520270499 /nfs/dbraw/zinc/27/04/99/520270499.db2.gz OTESUQYCRXTNJU-SJORKVTESA-N 1 0 357.458 2.880 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000597857639 520286514 /nfs/dbraw/zinc/28/65/14/520286514.db2.gz HSUKRNBUEDPMML-LBPRGKRZSA-N 1 0 370.247 2.960 20 5 FFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC1(O)CCC(F)(F)CC1 ZINC000595093858 520291351 /nfs/dbraw/zinc/29/13/51/520291351.db2.gz OTULDHURVNEIIG-LBPRGKRZSA-N 1 0 371.384 2.842 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000592253280 520292818 /nfs/dbraw/zinc/29/28/18/520292818.db2.gz DMNPOAGYYCCJIB-UHFFFAOYSA-N 1 0 362.430 2.540 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000595118735 520303148 /nfs/dbraw/zinc/30/31/48/520303148.db2.gz TUOJMLQDGJSKFW-MLGOLLRUSA-N 1 0 369.487 2.740 20 5 FFBDRO Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H](C)[C@H]2CCC[NH3+])c1[N+](=O)[O-] ZINC000595118513 520303208 /nfs/dbraw/zinc/30/32/08/520303208.db2.gz RHYDQSDWEMAZFZ-IUODEOHRSA-N 1 0 369.487 2.740 20 5 FFBDRO CC[C@@H]1CN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[C@@H]1[NH3+] ZINC000592332609 520338976 /nfs/dbraw/zinc/33/89/76/520338976.db2.gz NYMRGPDAOCYSMY-RISCZKNCSA-N 1 0 360.439 2.918 20 5 FFBDRO CC[C@@H]1CN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000592332632 520339440 /nfs/dbraw/zinc/33/94/40/520339440.db2.gz OOCHJSGQQWKKOD-SKDRFNHKSA-N 1 0 356.220 2.557 20 5 FFBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000603781190 520358953 /nfs/dbraw/zinc/35/89/53/520358953.db2.gz YPNFSCIAIPIBFY-UHFFFAOYSA-N 1 0 352.350 2.698 20 5 FFBDRO COc1ccc(NC(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1[N+](=O)[O-] ZINC000595231225 520363299 /nfs/dbraw/zinc/36/32/99/520363299.db2.gz NTTCCUJCXOVWEP-CQSZACIVSA-N 1 0 362.430 2.847 20 5 FFBDRO Cc1c(NC(=O)N(C)CC(C)(C)[NH3+])cc(Br)cc1[N+](=O)[O-] ZINC000595231879 520363619 /nfs/dbraw/zinc/36/36/19/520363619.db2.gz FBRPXGXDLAQOFE-UHFFFAOYSA-N 1 0 359.224 2.867 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000595234007 520364969 /nfs/dbraw/zinc/36/49/69/520364969.db2.gz ZWGDFJIPVDLRAO-NVXWUHKLSA-N 1 0 370.409 2.871 20 5 FFBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000595233815 520364979 /nfs/dbraw/zinc/36/49/79/520364979.db2.gz BYFXFDQQISYJOY-GOSISDBHSA-N 1 0 370.409 2.920 20 5 FFBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCC[C@H](C)[NH+](C)C ZINC000597993609 520366124 /nfs/dbraw/zinc/36/61/24/520366124.db2.gz UBLSNXXZWCVBKV-VIFPVBQESA-N 1 0 358.236 2.736 20 5 FFBDRO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H]1SC ZINC000592399244 520368719 /nfs/dbraw/zinc/36/87/19/520368719.db2.gz FNZQKXNDSULYKF-CYHLAULCSA-N 1 0 367.471 2.811 20 5 FFBDRO O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000595256860 520375461 /nfs/dbraw/zinc/37/54/61/520375461.db2.gz VUTQUFACZJRUNV-IAGOWNOFSA-N 1 0 361.348 2.749 20 5 FFBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@H](c2cccs2)N2CCOCC2)cc1 ZINC000609626433 520384175 /nfs/dbraw/zinc/38/41/75/520384175.db2.gz FFWRSEGQTWGGRM-QGZVFWFLSA-N 1 0 361.467 2.862 20 5 FFBDRO COc1ccc(C[NH+]2CCC(C(N)=O)(c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000609672620 520401053 /nfs/dbraw/zinc/40/10/53/520401053.db2.gz MPWNTNAWIZRNOE-UHFFFAOYSA-N 1 0 369.421 2.623 20 5 FFBDRO Cc1cc(S(=O)(=O)NCCCCC[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000609674200 520402761 /nfs/dbraw/zinc/40/27/61/520402761.db2.gz GKPCMWQZAFDYCD-UHFFFAOYSA-N 1 0 369.487 2.838 20 5 FFBDRO O=C(NCC1CC[NH+](Cc2ccncc2)CC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000598062653 520404974 /nfs/dbraw/zinc/40/49/74/520404974.db2.gz SFRBXSNJVBBLME-UHFFFAOYSA-N 1 0 372.400 2.771 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2noc(CN3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)n2)c1 ZINC000592478691 520407376 /nfs/dbraw/zinc/40/73/76/520407376.db2.gz IGEFJCQRQNEVED-GDBMZVCRSA-N 1 0 357.414 2.609 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000600756191 520450265 /nfs/dbraw/zinc/45/02/65/520450265.db2.gz HNBOFNYJBRFXOA-MRXNPFEDSA-N 1 0 353.850 2.839 20 5 FFBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000592544237 520451970 /nfs/dbraw/zinc/45/19/70/520451970.db2.gz ASRGXDDAWDFQNQ-ZYHUDNBSSA-N 1 0 355.847 2.551 20 5 FFBDRO CC[C@H]1CN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000592544978 520452282 /nfs/dbraw/zinc/45/22/82/520452282.db2.gz LFXLCLRLZXGADC-CMPLNLGQSA-N 1 0 357.863 2.926 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000592568700 520457765 /nfs/dbraw/zinc/45/77/65/520457765.db2.gz NMEGZAMGEMYQFJ-AAEUAGOBSA-N 1 0 367.833 2.806 20 5 FFBDRO Cc1cc(NC(=O)c2cc([N+](=O)[O-])cn2C)ccc1OCC[NH+]1CCCC1 ZINC000609887110 520469331 /nfs/dbraw/zinc/46/93/31/520469331.db2.gz QAXQFZNFSZPDIH-UHFFFAOYSA-N 1 0 372.425 2.969 20 5 FFBDRO C[C@@H](c1ccccc1)[C@@H](CO)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000613389750 520479637 /nfs/dbraw/zinc/47/96/37/520479637.db2.gz PPTKJBUALVGLHM-KBXCAEBGSA-N 1 0 357.410 2.678 20 5 FFBDRO C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000598195940 520486207 /nfs/dbraw/zinc/48/62/07/520486207.db2.gz XEVBWXDBENKFHI-IBGZPJMESA-N 1 0 367.449 2.913 20 5 FFBDRO O=C(NCc1cccc([N+](=O)[O-])c1)NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000595477833 520496773 /nfs/dbraw/zinc/49/67/73/520496773.db2.gz VQWVUSWVKNOVEL-GOSISDBHSA-N 1 0 354.410 2.669 20 5 FFBDRO CN(CC(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000598218091 520499037 /nfs/dbraw/zinc/49/90/37/520499037.db2.gz FPAVQWJHJZGKTC-HNNXBMFYSA-N 1 0 360.458 2.554 20 5 FFBDRO CC(C)(C(=O)Nc1ccn(-c2cc[nH+]cc2)n1)c1ccc([N+](=O)[O-])cc1 ZINC000610045445 520514971 /nfs/dbraw/zinc/51/49/71/520514971.db2.gz JZILJAFMVDGTQB-UHFFFAOYSA-N 1 0 351.366 2.514 20 5 FFBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000604446323 520565107 /nfs/dbraw/zinc/56/51/07/520565107.db2.gz XEGSQJYZHYUEFA-BFYDXBDKSA-N 1 0 361.442 2.837 20 5 FFBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000604446325 520565653 /nfs/dbraw/zinc/56/56/53/520565653.db2.gz XEGSQJYZHYUEFA-UXLLHSPISA-N 1 0 361.442 2.837 20 5 FFBDRO CCC[N@@H+]1CC[C@@H](NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])C1 ZINC000598342338 520565761 /nfs/dbraw/zinc/56/57/61/520565761.db2.gz MIEVIJLOPBAULA-OAHLLOKOSA-N 1 0 354.410 2.871 20 5 FFBDRO CCC[N@@H+]1CC[C@@H](NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000598343034 520566616 /nfs/dbraw/zinc/56/66/16/520566616.db2.gz RULDSAKRRGSDKH-CYBMUJFWSA-N 1 0 360.439 2.932 20 5 FFBDRO O=[N+]([O-])c1ccc(OCCC[NH2+][C@@H](C2CC2)C2(CO)CCOCC2)cc1 ZINC000595595425 520578945 /nfs/dbraw/zinc/57/89/45/520578945.db2.gz HRYMRBDDJVJRPY-SFHVURJKSA-N 1 0 364.442 2.521 20 5 FFBDRO C[NH+]1CCN(Cc2ccc(NC(=O)Cc3cccc([N+](=O)[O-])c3)cc2)CC1 ZINC000610223767 520588505 /nfs/dbraw/zinc/58/85/05/520588505.db2.gz JUTHJJQRICFKOT-UHFFFAOYSA-N 1 0 368.437 2.523 20 5 FFBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000604535302 520593666 /nfs/dbraw/zinc/59/36/66/520593666.db2.gz VALISBMOVZYRIE-SFHVURJKSA-N 1 0 368.437 2.860 20 5 FFBDRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000610359977 520649841 /nfs/dbraw/zinc/64/98/41/520649841.db2.gz GZBDHCHWULFIHR-DOTOQJQBSA-N 1 0 356.426 2.635 20 5 FFBDRO O=C(N[C@H]1CC[NH2+]C12CCCC2)c1ccc(Br)cc1[N+](=O)[O-] ZINC000592952501 520659608 /nfs/dbraw/zinc/65/96/08/520659608.db2.gz IEVXQAJPLXPIAF-ZDUSSCGKSA-N 1 0 368.231 2.762 20 5 FFBDRO CC[C@@H]1CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[C@H](C)[NH2+]1 ZINC000598530990 520684422 /nfs/dbraw/zinc/68/44/22/520684422.db2.gz CQLDGGCNTWXBAS-JOYOIKCWSA-N 1 0 356.220 2.570 20 5 FFBDRO Cc1sc(C(=O)N2CC3(CCCC3)OC[C@@H]2C[NH+](C)C)cc1[N+](=O)[O-] ZINC000598536196 520687890 /nfs/dbraw/zinc/68/78/90/520687890.db2.gz OGTISDMJBABXNP-ZDUSSCGKSA-N 1 0 367.471 2.680 20 5 FFBDRO Cc1cc(C(=O)N2CC3(CCCC3)OC[C@@H]2C[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000598535933 520688092 /nfs/dbraw/zinc/68/80/92/520688092.db2.gz LSOYYWCJEDMUNY-KRWDZBQOSA-N 1 0 361.442 2.619 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000598541491 520690600 /nfs/dbraw/zinc/69/06/00/520690600.db2.gz UXRZQWCDCSKLNP-INIZCTEOSA-N 1 0 363.458 2.703 20 5 FFBDRO C[NH+]1CCC(n2cc(N=c3[nH]c4ccccc4cc3[N+](=O)[O-])cn2)CC1 ZINC000601226583 520696373 /nfs/dbraw/zinc/69/63/73/520696373.db2.gz NXNXOBVCHKKYAZ-UHFFFAOYSA-N 1 0 352.398 2.772 20 5 FFBDRO C[NH+]1CCC(n2cc(Nc3c4ccccc4ncc3[N+](=O)[O-])cn2)CC1 ZINC000601227817 520699277 /nfs/dbraw/zinc/69/92/77/520699277.db2.gz WPCAVSKMBZKBPU-UHFFFAOYSA-N 1 0 352.398 2.772 20 5 FFBDRO C[C@@H](CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000593057756 520712934 /nfs/dbraw/zinc/71/29/34/520712934.db2.gz HRNICKPIWVLSHJ-AWEZNQCLSA-N 1 0 359.401 2.913 20 5 FFBDRO CC[C@@H]1C[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)[C@@H](CC)CO1 ZINC000593059750 520716053 /nfs/dbraw/zinc/71/60/53/520716053.db2.gz TWSGEXDKMJPDQE-DZGCQCFKSA-N 1 0 363.414 2.782 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@H]([C@H]3CCCCO3)C2)c1 ZINC000595786557 520723727 /nfs/dbraw/zinc/72/37/27/520723727.db2.gz BIVMLKJVFLPJEQ-KVSKMBFKSA-N 1 0 364.442 2.616 20 5 FFBDRO COC(=O)c1ccnc(NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000598596781 520734629 /nfs/dbraw/zinc/73/46/29/520734629.db2.gz TVUFXFNSBKDFIG-AWEZNQCLSA-N 1 0 374.397 2.927 20 5 FFBDRO CN(CCCC[NH+](C)C)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000610573969 520745440 /nfs/dbraw/zinc/74/54/40/520745440.db2.gz XAGXOFLSZJEGPE-UHFFFAOYSA-N 1 0 358.236 2.771 20 5 FFBDRO C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)c3c(F)cccc3[N+](=O)[O-])nc2)C1 ZINC000601354266 520751862 /nfs/dbraw/zinc/75/18/62/520751862.db2.gz LULDGIDZKGGDDL-CYBMUJFWSA-N 1 0 373.388 2.522 20 5 FFBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000595861106 520773275 /nfs/dbraw/zinc/77/32/75/520773275.db2.gz AEGKDJBHSYLPSC-UHFFFAOYSA-N 1 0 374.485 2.901 20 5 FFBDRO [NH3+]CCN(Cc1ccnn1CCc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000598671388 520777594 /nfs/dbraw/zinc/77/75/94/520777594.db2.gz BDKRHELMLVVCPX-UHFFFAOYSA-N 1 0 365.437 2.999 20 5 FFBDRO Cc1sc(C(=O)N2CC[C@H](OCC[NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000610733462 520819521 /nfs/dbraw/zinc/81/95/21/520819521.db2.gz VURBHEXDYLPQDP-AWEZNQCLSA-N 1 0 367.471 2.682 20 5 FFBDRO Cc1ccc(NCCCNC(=O)c2cc3c(s2)CC[NH2+]C3)c([N+](=O)[O-])c1 ZINC000595925977 520828597 /nfs/dbraw/zinc/82/85/97/520828597.db2.gz ZMTBSIWLYMWVIF-UHFFFAOYSA-N 1 0 374.466 2.842 20 5 FFBDRO O=C(c1c(F)cccc1[N+](=O)[O-])N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000601541946 520832687 /nfs/dbraw/zinc/83/26/87/520832687.db2.gz XGBRUQIOZSXFTP-IYBDPMFKSA-N 1 0 369.396 2.938 20 5 FFBDRO CNc1ccc(C(=O)N2C[C@H](C[NH+](C)C)Oc3ccccc32)cc1[N+](=O)[O-] ZINC000610764823 520833812 /nfs/dbraw/zinc/83/38/12/520833812.db2.gz XVUHRNWEXSCTOP-AWEZNQCLSA-N 1 0 370.409 2.606 20 5 FFBDRO CC(C)[C@H]([NH3+])CCNC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000595952019 520836216 /nfs/dbraw/zinc/83/62/16/520836216.db2.gz VVPUZJIYPWJOJB-GOEBONIOSA-N 1 0 362.474 2.934 20 5 FFBDRO O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000601555869 520837883 /nfs/dbraw/zinc/83/78/83/520837883.db2.gz HUQKLMSHYIFUBN-BBRMVZONSA-N 1 0 372.450 2.932 20 5 FFBDRO [NH3+]C[C@H]1CCCc2ccc(C(=O)N3CCc4ncc([N+](=O)[O-])cc4C3)cc21 ZINC000595953926 520838206 /nfs/dbraw/zinc/83/82/06/520838206.db2.gz OMYCBXBSECJXJX-OAHLLOKOSA-N 1 0 366.421 2.567 20 5 FFBDRO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000601555159 520838488 /nfs/dbraw/zinc/83/84/88/520838488.db2.gz WRAOXDLHDGKMQU-QMTHXVAHSA-N 1 0 368.231 2.571 20 5 FFBDRO CCC(CC)(C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1 ZINC000596070801 520893550 /nfs/dbraw/zinc/89/35/50/520893550.db2.gz SOXFDPDEKLJFOJ-KRWDZBQOSA-N 1 0 364.421 2.639 20 5 FFBDRO COC(=O)c1c(Cl)c(N2CCC(C[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000596082413 520900383 /nfs/dbraw/zinc/90/03/83/520900383.db2.gz JWQXGIQAYMPDTH-UHFFFAOYSA-N 1 0 355.822 2.813 20 5 FFBDRO COC(=O)c1c(Cl)c(N(C)CC2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000596108625 520918267 /nfs/dbraw/zinc/91/82/67/520918267.db2.gz VTISJPZXAKHNJA-UHFFFAOYSA-N 1 0 355.822 2.813 20 5 FFBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000601728164 520921318 /nfs/dbraw/zinc/92/13/18/520921318.db2.gz NSFWRGGTONMBIR-MRXNPFEDSA-N 1 0 371.441 2.503 20 5 FFBDRO C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)C[N@@H+]1Cc1ccccc1 ZINC000596163473 520946399 /nfs/dbraw/zinc/94/63/99/520946399.db2.gz VMFJCWQTRWNBFJ-BBRMVZONSA-N 1 0 354.410 2.769 20 5 FFBDRO CS[C@@H]1CN(c2c(Br)cccc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000596181323 520958057 /nfs/dbraw/zinc/95/80/57/520958057.db2.gz ZWABKNFUQKNYCS-NWDGAFQWSA-N 1 0 360.277 2.839 20 5 FFBDRO COc1ccc(CN2CC[C@H]2C[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000598993018 520966177 /nfs/dbraw/zinc/96/61/77/520966177.db2.gz IEWDHOQIIJXIGZ-KRWDZBQOSA-N 1 0 371.437 2.976 20 5 FFBDRO C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCS1(=O)=O ZINC000599004586 520974320 /nfs/dbraw/zinc/97/43/20/520974320.db2.gz SOTIWTRUNZAHTL-IAQYHMDHSA-N 1 0 366.464 2.989 20 5 FFBDRO C[C@@H]1[C@H](Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)CC[N@@H+]1Cc1ccccc1 ZINC000596236439 520988826 /nfs/dbraw/zinc/98/88/26/520988826.db2.gz VVAVVEVENPRDAN-CXAGYDPISA-N 1 0 354.410 2.769 20 5 FFBDRO CN1CC[NH+](CC2CCN(c3ccc4cnccc4c3[N+](=O)[O-])CC2)CC1 ZINC000599028225 520990070 /nfs/dbraw/zinc/99/00/70/520990070.db2.gz RKVNBJCXOPHQDI-UHFFFAOYSA-N 1 0 369.469 2.607 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CCCOCC3)CC2)cc1OC(F)F ZINC000596267882 521001821 /nfs/dbraw/zinc/00/18/21/521001821.db2.gz BBVRNZDLLGLQKO-UHFFFAOYSA-N 1 0 371.384 2.887 20 5 FFBDRO Cc1cc(N[C@H]2CC[N@H+](CC3CC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000611132471 521002350 /nfs/dbraw/zinc/00/23/50/521002350.db2.gz PAPQNGNETBUGSL-INIZCTEOSA-N 1 0 353.426 2.678 20 5 FFBDRO O=[N+]([O-])c1c2cccnc2ccc1N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000596268962 521002576 /nfs/dbraw/zinc/00/25/76/521002576.db2.gz ONZUYYKRYWWUDO-UHFFFAOYSA-N 1 0 356.426 2.834 20 5 FFBDRO COc1cc[nH+]c(N2CCN(c3ccnc4cc([N+](=O)[O-])ccc43)CC2)c1 ZINC000593460405 521007608 /nfs/dbraw/zinc/00/76/08/521007608.db2.gz FYNUZWKTZQUTNY-UHFFFAOYSA-N 1 0 365.393 2.873 20 5 FFBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000611155671 521013951 /nfs/dbraw/zinc/01/39/51/521013951.db2.gz GIABAPAXVSLYGE-GOSISDBHSA-N 1 0 360.458 2.797 20 5 FFBDRO Cn1ccnc1[C@@H](NC[C@H]1CCCC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000599070067 521013963 /nfs/dbraw/zinc/01/39/63/521013963.db2.gz JWYAVICKUCSCLR-QAPCUYQASA-N 1 0 357.458 2.739 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@H](CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000596306816 521019676 /nfs/dbraw/zinc/01/96/76/521019676.db2.gz IMDQOHBRKVCCEQ-GFCCVEGCSA-N 1 0 355.460 2.531 20 5 FFBDRO C[C@@H]([NH2+]C[C@H]1CN(Cc2ccncc2)CCO1)c1ccc([N+](=O)[O-])cc1 ZINC000599086918 521025269 /nfs/dbraw/zinc/02/52/69/521025269.db2.gz BHVQBGCWAGWBFL-BEFAXECRSA-N 1 0 356.426 2.541 20 5 FFBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH+]1CC2(C1)CC(F)(F)C2 ZINC000611179409 521025335 /nfs/dbraw/zinc/02/53/35/521025335.db2.gz CHBIVDHHVDOBRZ-UHFFFAOYSA-N 1 0 353.325 2.624 20 5 FFBDRO CC[N@H+](C[C@@H]1CCOC1)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000611205370 521036754 /nfs/dbraw/zinc/03/67/54/521036754.db2.gz YHHNUCXOBQGPBK-RYUDHWBXSA-N 1 0 355.822 2.934 20 5 FFBDRO C[C@](O)(C[C@H](O)C[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C1CC1 ZINC000601966127 521044867 /nfs/dbraw/zinc/04/48/67/521044867.db2.gz PZOBNKWUYGXIKI-GJZGRUSLSA-N 1 0 362.348 2.615 20 5 FFBDRO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)c1csc(-c3ccc([N+](=O)[O-])cc3)n1)C2 ZINC000601976235 521051113 /nfs/dbraw/zinc/05/11/13/521051113.db2.gz OVDCRXNYHSJKJI-HDICACEKSA-N 1 0 372.450 2.790 20 5 FFBDRO O=[N+]([O-])c1cc2c(cc1CN1CCC[C@H]1C[NH+]1CCCCC1)OCCO2 ZINC000611262770 521064214 /nfs/dbraw/zinc/06/42/14/521064214.db2.gz DTKBNNKNSRLXMN-INIZCTEOSA-N 1 0 361.442 2.816 20 5 FFBDRO Cc1ccc(C[NH+]2CCC(C(N)=O)(c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000611272226 521070093 /nfs/dbraw/zinc/07/00/93/521070093.db2.gz MKUWPHWPXZTEDO-UHFFFAOYSA-N 1 0 353.422 2.922 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(NC[C@H]2CN(Cc3ccncc3)CCO2)c(F)c1 ZINC000599183375 521075026 /nfs/dbraw/zinc/07/50/26/521075026.db2.gz LEJJWHURWCTGBJ-AWEZNQCLSA-N 1 0 364.352 2.581 20 5 FFBDRO CCC1([NH+]2CCOCC2)CCN(c2nc3c(cc2[N+](=O)[O-])CCCC3)CC1 ZINC000599182798 521075259 /nfs/dbraw/zinc/07/52/59/521075259.db2.gz BRIUTNXHARRSKL-UHFFFAOYSA-N 1 0 374.485 2.950 20 5 FFBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000596461635 521084637 /nfs/dbraw/zinc/08/46/37/521084637.db2.gz IUEHIXXHXSDZSB-KRWDZBQOSA-N 1 0 357.458 2.873 20 5 FFBDRO O=C(C[N@@H+]1CCC[C@H](C[C@H]2CCOC2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000611350876 521115567 /nfs/dbraw/zinc/11/55/67/521115567.db2.gz VQTGZPUSWHXJPI-HZPDHXFCSA-N 1 0 373.453 2.623 20 5 FFBDRO CC(C)[N@@H+]1CCCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000599304187 521140204 /nfs/dbraw/zinc/14/02/04/521140204.db2.gz JEZVZZAIVDPSGJ-UHFFFAOYSA-N 1 0 370.247 2.914 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CC[C@]3(O)CCCOC3)cs2)c1 ZINC000593687147 521158000 /nfs/dbraw/zinc/15/80/00/521158000.db2.gz CQSXGYIGFBKGNM-QGZVFWFLSA-N 1 0 363.439 2.740 20 5 FFBDRO CCC[C@H]([NH2+][C@@H]1C[C@H](C)N(c2cnn(C)c2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000611475342 521176211 /nfs/dbraw/zinc/17/62/11/521176211.db2.gz UCBZIZHFPXWLJQ-DOPJRALCSA-N 1 0 371.441 2.953 20 5 FFBDRO CC[C@H]([NH2+][C@@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000611475246 521176292 /nfs/dbraw/zinc/17/62/92/521176292.db2.gz GZMRNMUDLUNAJX-OAUYIBNBSA-N 1 0 357.414 2.563 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@@H]([NH+](C)C)C2(C)C)cc1SC ZINC000602168258 521183625 /nfs/dbraw/zinc/18/36/25/521183625.db2.gz BVCIMVNSBQUBPF-HUUCEWRRSA-N 1 0 367.471 2.784 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000593763301 521201215 /nfs/dbraw/zinc/20/12/15/521201215.db2.gz JBVIWBKGHGQRAU-ZQIUZPCESA-N 1 0 362.430 2.653 20 5 FFBDRO COC(=O)[C@@H]1CCCCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000611574643 521228826 /nfs/dbraw/zinc/22/88/26/521228826.db2.gz GVYSAODWDLDPQI-INIZCTEOSA-N 1 0 363.414 2.649 20 5 FFBDRO Cc1ccc(C)c(S(=O)(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)c1[N+](=O)[O-] ZINC000599463574 521239579 /nfs/dbraw/zinc/23/95/79/521239579.db2.gz GIXSSWOSWNMZMG-OAHLLOKOSA-N 1 0 367.471 2.507 20 5 FFBDRO Cc1cc(C)c(S(=O)(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)cc1[N+](=O)[O-] ZINC000599464797 521240395 /nfs/dbraw/zinc/24/03/95/521240395.db2.gz TVUTWHRHMWLUJI-HNNXBMFYSA-N 1 0 367.471 2.507 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCC1CC[NH2+]CC1 ZINC000593919250 521292708 /nfs/dbraw/zinc/29/27/08/521292708.db2.gz PDMSICCCWUTHOC-NSHDSACASA-N 1 0 355.822 2.521 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000599574323 521305917 /nfs/dbraw/zinc/30/59/17/521305917.db2.gz SEYIETVNKZQIQI-BEFAXECRSA-N 1 0 357.410 2.861 20 5 FFBDRO Cc1cc(NC(=O)N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)ccc1[N+](=O)[O-] ZINC000599609881 521330731 /nfs/dbraw/zinc/33/07/31/521330731.db2.gz CMUDLEMIQHJATQ-MRXNPFEDSA-N 1 0 362.430 2.526 20 5 FFBDRO [NH3+]C[C@H](NC(=O)c1c(Br)cccc1[N+](=O)[O-])C1CCCCC1 ZINC000602435102 521344475 /nfs/dbraw/zinc/34/44/75/521344475.db2.gz SYHGDXKXBZBPRR-LBPRGKRZSA-N 1 0 370.247 2.995 20 5 FFBDRO COc1cc(C[N@@H+]2CCCCC[C@@H]2CO)c([N+](=O)[O-])cc1OC(F)F ZINC000594014378 521348244 /nfs/dbraw/zinc/34/82/44/521348244.db2.gz CMEJKELIQFBUIS-GFCCVEGCSA-N 1 0 360.357 2.942 20 5 FFBDRO COc1ccc2c(c1)CC[N@@H+](Cc1cc3c(cc1[N+](=O)[O-])OCCO3)CC2 ZINC000615283926 521352669 /nfs/dbraw/zinc/35/26/69/521352669.db2.gz LBQQGEJTOCTSTQ-UHFFFAOYSA-N 1 0 370.405 2.975 20 5 FFBDRO CCOC(=O)CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C(C)C ZINC000594052455 521374973 /nfs/dbraw/zinc/37/49/73/521374973.db2.gz YBHZEKMVFGMWGX-UHFFFAOYSA-N 1 0 371.821 2.850 20 5 FFBDRO Cc1nc2ccccc2n1C[C@@H]1CCC[N@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602487387 521375550 /nfs/dbraw/zinc/37/55/50/521375550.db2.gz ZKJRGLAQRDXYLF-HNNXBMFYSA-N 1 0 354.414 2.651 20 5 FFBDRO O=C(N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000602495543 521378682 /nfs/dbraw/zinc/37/86/82/521378682.db2.gz DTAMNLRWUUKDQC-HZPDHXFCSA-N 1 0 357.454 2.865 20 5 FFBDRO CCc1ccc(C2CC[NH+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)cc1 ZINC000599669582 521384493 /nfs/dbraw/zinc/38/44/93/521384493.db2.gz OYBQYKOYSXPUEZ-IBGZPJMESA-N 1 0 358.442 2.594 20 5 FFBDRO CC(C)[C@@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)N1CCCC1 ZINC000602508434 521386067 /nfs/dbraw/zinc/38/60/67/521386067.db2.gz CBQMUNAMNXCGTJ-GOSISDBHSA-N 1 0 361.490 2.669 20 5 FFBDRO CN(CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)Cc1ccccc1 ZINC000602524102 521395130 /nfs/dbraw/zinc/39/51/30/521395130.db2.gz APZIIFAVCKXNAK-UHFFFAOYSA-N 1 0 369.469 2.680 20 5 FFBDRO [NH3+]C[C@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC[C@@H]1C(F)(F)F ZINC000602542149 521402555 /nfs/dbraw/zinc/40/25/55/521402555.db2.gz UNUJRAYZLGTQSF-CABZTGNLSA-N 1 0 365.739 2.848 20 5 FFBDRO COC[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccccc1 ZINC000602543723 521403731 /nfs/dbraw/zinc/40/37/31/521403731.db2.gz FZEGLDYSVNOTQT-GOSISDBHSA-N 1 0 356.426 2.936 20 5 FFBDRO CC(C)(C(=O)Nc1ccc2c(c1)OCC[NH2+]C2)c1ccc([N+](=O)[O-])cc1 ZINC000602551834 521408312 /nfs/dbraw/zinc/40/83/12/521408312.db2.gz KEKIJHJJKHUXKK-UHFFFAOYSA-N 1 0 355.394 2.993 20 5 FFBDRO Cc1noc(C)c1[C@@H](C)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602572529 521417256 /nfs/dbraw/zinc/41/72/56/521417256.db2.gz QEHJDLFFHIHNAW-LBPRGKRZSA-N 1 0 359.430 2.957 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@H](O)CCc3ccccc3)CC2)cn1 ZINC000602610482 521435820 /nfs/dbraw/zinc/43/58/20/521435820.db2.gz YEVOHSWWUWIDAY-LJQANCHMSA-N 1 0 370.453 2.542 20 5 FFBDRO C[C@H](NC(=O)c1c(Br)cccc1[N+](=O)[O-])C1=CC[N@H+](C)CC1 ZINC000599750395 521446650 /nfs/dbraw/zinc/44/66/50/521446650.db2.gz VNYFRNHNJRYXHW-JTQLQIEISA-N 1 0 368.231 2.738 20 5 FFBDRO CC(C)N(CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1ccccn1 ZINC000612030406 521447134 /nfs/dbraw/zinc/44/71/34/521447134.db2.gz YAIFDVACPAZSFY-UHFFFAOYSA-N 1 0 363.439 2.674 20 5 FFBDRO CN1CCCC(C)(C)[C@H]1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602643909 521453219 /nfs/dbraw/zinc/45/32/19/521453219.db2.gz ORYKIYODGMNGMF-QGZVFWFLSA-N 1 0 361.490 2.669 20 5 FFBDRO CN1CCCC(C)(C)[C@@H]1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602643908 521454006 /nfs/dbraw/zinc/45/40/06/521454006.db2.gz ORYKIYODGMNGMF-KRWDZBQOSA-N 1 0 361.490 2.669 20 5 FFBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594195337 521461539 /nfs/dbraw/zinc/46/15/39/521461539.db2.gz FWGHRDIXEQXOAH-ROUUACIJSA-N 1 0 356.426 2.752 20 5 FFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]C[C@H](CO)c1cccnc1 ZINC000602663087 521466396 /nfs/dbraw/zinc/46/63/96/521466396.db2.gz SYAFJDWPJJMVPR-CYBMUJFWSA-N 1 0 355.316 2.874 20 5 FFBDRO O=[N+]([O-])c1cccnc1N1CC[NH+](C[C@H]2CCN(c3ccccc3)C2)CC1 ZINC000602689929 521480600 /nfs/dbraw/zinc/48/06/00/521480600.db2.gz ZLBUPCIWNVFANI-QGZVFWFLSA-N 1 0 367.453 2.638 20 5 FFBDRO CC1CC[NH+](CCNC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)CC1 ZINC000599830232 521497497 /nfs/dbraw/zinc/49/74/97/521497497.db2.gz GMLMUMKIKQTVIG-UHFFFAOYSA-N 1 0 357.414 2.996 20 5 FFBDRO O=C1[C@@H]([NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CCN1C1CCC1 ZINC000602784312 521531676 /nfs/dbraw/zinc/53/16/76/521531676.db2.gz MQGDDTMUIJWFAW-SFHVURJKSA-N 1 0 359.426 2.591 20 5 FFBDRO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@H+](CC[C@H]4CCCO4)CC3)nc2c1 ZINC000615796091 521535308 /nfs/dbraw/zinc/53/53/08/521535308.db2.gz PDAUBJJCZJYSBG-OAHLLOKOSA-N 1 0 359.430 2.552 20 5 FFBDRO COc1cc(F)c([C@H](C)[NH2+]CCn2c(C)ncc2[N+](=O)[O-])cc1OC ZINC000602806106 521544106 /nfs/dbraw/zinc/54/41/06/521544106.db2.gz OZNBNUIKTKFDNB-JTQLQIEISA-N 1 0 352.366 2.607 20 5 FFBDRO Cn1cc(C[N@@H+]2CCC[C@@H](Cn3cnc4ccccc43)C2)c([N+](=O)[O-])n1 ZINC000602809777 521546105 /nfs/dbraw/zinc/54/61/05/521546105.db2.gz DPIZGMJXPKEPIY-CQSZACIVSA-N 1 0 354.414 2.590 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(N2CCc3ccccc32)CC1 ZINC000602826867 521555622 /nfs/dbraw/zinc/55/56/22/521555622.db2.gz OKGMHCGXONPAPQ-UHFFFAOYSA-N 1 0 355.442 2.627 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CCN1CC[N@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC000602838362 521562725 /nfs/dbraw/zinc/56/27/25/521562725.db2.gz CYZNXBCUCNAVAB-INIZCTEOSA-N 1 0 357.458 2.554 20 5 FFBDRO C[NH+](C)CCC[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CCO1 ZINC000597247833 521595020 /nfs/dbraw/zinc/59/50/20/521595020.db2.gz FKKMHLUGABUJJT-OAHLLOKOSA-N 1 0 373.400 2.739 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2cnn(-c3cc[nH+]cc3)c2)c1 ZINC000619583214 521783119 /nfs/dbraw/zinc/78/31/19/521783119.db2.gz KURVDIOVWQJLEE-UHFFFAOYSA-N 1 0 367.365 2.892 20 5 FFBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]C[C@@H](CO)CC1CCCC1)OCCO2 ZINC000619599326 521789286 /nfs/dbraw/zinc/78/92/86/521789286.db2.gz MBOSYPWPDFAMKC-AWEZNQCLSA-N 1 0 350.415 2.644 20 5 FFBDRO C[C@H]([NH2+]CCCOc1ccc([N+](=O)[O-])cc1)c1cccc(-c2nn[nH]n2)c1 ZINC000824594210 608492247 /nfs/dbraw/zinc/49/22/47/608492247.db2.gz YGAMYUFDZUYGDN-ZDUSSCGKSA-N 1 0 368.397 2.895 20 5 FFBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164723559 720349647 /nfs/dbraw/zinc/34/96/47/720349647.db2.gz HYBPQQIBCATRMQ-KGLIPLIRSA-N 1 0 374.832 2.595 20 5 FFBDRO Cc1nc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001164896267 721512051 /nfs/dbraw/zinc/51/20/51/721512051.db2.gz AESSGNGEUAHDJU-WBVHZDCISA-N 1 0 372.400 2.779 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@H]3CCCO3)CC2)nc1-c1ccccc1 ZINC000611181491 721925331 /nfs/dbraw/zinc/92/53/31/721925331.db2.gz PRXBEUIKNMRBFX-QGZVFWFLSA-N 1 0 368.437 2.958 20 5 FFBDRO O=[N+]([O-])c1c(Cl)cc(Cl)nc1N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001164966759 722070985 /nfs/dbraw/zinc/07/09/85/722070985.db2.gz BCOKUZNNNNEOKD-PHIMTYICSA-N 1 0 373.240 2.596 20 5 FFBDRO C[N@@H+]1CCCC[C@H]1CN1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000153862231 728790132 /nfs/dbraw/zinc/79/01/32/728790132.db2.gz ZPYZQYGHFMFQEK-INIZCTEOSA-N 1 0 366.893 2.850 20 5 FFBDRO O=[N+]([O-])c1cc(CN2CCCC[C@@H]2CN2CCOCC2)ccc1Cl ZINC000153902357 728790773 /nfs/dbraw/zinc/79/07/73/728790773.db2.gz HRHNCQKFAYWKKA-OAHLLOKOSA-N 1 0 353.850 2.935 20 5 FFBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000159135344 728901180 /nfs/dbraw/zinc/90/11/80/728901180.db2.gz LMGKDPFNPYCSCJ-SNVBAGLBSA-N 1 0 356.220 2.524 20 5 FFBDRO Cn1cc([C@@]2(C[NH2+]Cc3ccc([N+](=O)[O-])cc3Cl)CCCO2)cn1 ZINC000898056340 735308407 /nfs/dbraw/zinc/30/84/07/735308407.db2.gz FJFZHPWNNNNJEL-INIZCTEOSA-N 1 0 350.806 2.777 20 5 FFBDRO COc1c(O)ccc(C[N@@H+]2CCCC[C@H]([C@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC000898513779 735373500 /nfs/dbraw/zinc/37/35/00/735373500.db2.gz YEOKOPMMSHXVFA-ZFWWWQNUSA-N 1 0 350.415 2.948 20 5 FFBDRO COc1c(O)ccc(C[N@@H+]2CCCC[C@@H]([C@@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC000898513778 735373692 /nfs/dbraw/zinc/37/36/92/735373692.db2.gz YEOKOPMMSHXVFA-UKRRQHHQSA-N 1 0 350.415 2.948 20 5 FFBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCc3ncc(Br)n3C2)cs1 ZINC000898723518 735399675 /nfs/dbraw/zinc/39/96/75/735399675.db2.gz FZRPMRHWVZXFEO-SECBINFHSA-N 1 0 357.233 2.720 20 5 FFBDRO CC[C@@H]1[C@@H](C(=O)NCc2ccc(Br)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000899213984 735460360 /nfs/dbraw/zinc/46/03/60/735460360.db2.gz OYRWUFONNKTLGN-QWHCGFSZSA-N 1 0 370.247 2.704 20 5 FFBDRO CC(C)CO[C@H]1CCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000120062398 728605016 /nfs/dbraw/zinc/60/50/16/728605016.db2.gz UOEVZMVLCPGSSC-ZDUSSCGKSA-N 1 0 355.822 2.934 20 5 FFBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC([NH+](C)C)CC1 ZINC000127958461 728707765 /nfs/dbraw/zinc/70/77/65/728707765.db2.gz YGISPQKGYNAKAN-NSHDSACASA-N 1 0 354.838 2.601 20 5 FFBDRO C[C@H](CCS(C)(=O)=O)[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000130526970 728719046 /nfs/dbraw/zinc/71/90/46/728719046.db2.gz WFGBUONULGQRSY-FMKPAKJESA-N 1 0 354.472 2.719 20 5 FFBDRO C[C@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000152106675 728748031 /nfs/dbraw/zinc/74/80/31/728748031.db2.gz SERIEVZGQQGRQP-AWEZNQCLSA-N 1 0 369.487 2.525 20 5 FFBDRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000165940141 728974892 /nfs/dbraw/zinc/97/48/92/728974892.db2.gz QDZUGFPXTCISMT-TVQRCGJNSA-N 1 0 356.220 2.605 20 5 FFBDRO C[C@H](CNC(=O)OC(C)(C)C)[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000171954693 729016069 /nfs/dbraw/zinc/01/60/69/729016069.db2.gz LDGZSEPNSPZCPH-CYBMUJFWSA-N 1 0 353.419 2.819 20 5 FFBDRO C[NH2+]CCC1CCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000262015021 729657239 /nfs/dbraw/zinc/65/72/39/729657239.db2.gz VPMBNFKJSRRMFB-UHFFFAOYSA-N 1 0 354.838 2.508 20 5 FFBDRO C[NH+](C)CCOC1CCN(c2cccc(Br)c2[N+](=O)[O-])CC1 ZINC000856730906 730351206 /nfs/dbraw/zinc/35/12/06/730351206.db2.gz ISNKASULARYVDE-UHFFFAOYSA-N 1 0 372.263 2.904 20 5 FFBDRO O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000857223458 730385923 /nfs/dbraw/zinc/38/59/23/730385923.db2.gz LSTADTCHEVEYNA-CQSZACIVSA-N 1 0 367.833 2.575 20 5 FFBDRO C[C@@H](CC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)NC(=O)OC(C)(C)C ZINC000857240861 730386837 /nfs/dbraw/zinc/38/68/37/730386837.db2.gz FLRBXRAZTVUVOH-SWLSCSKDSA-N 1 0 353.419 2.521 20 5 FFBDRO C[C@@H](C[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1)NC(=O)OC(C)(C)C ZINC000860098750 730476106 /nfs/dbraw/zinc/47/61/06/730476106.db2.gz QIOJYPVACJVFIQ-ZDUSSCGKSA-N 1 0 353.419 2.819 20 5 FFBDRO CO[C@@H]1C[N@H+](C)[C@](C)(COC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000861345980 730602192 /nfs/dbraw/zinc/60/21/92/730602192.db2.gz BXUMUVXWNGKSAY-YJBOKZPZSA-N 1 0 350.415 2.525 20 5 FFBDRO CC1([NH+]2CCOCC2)CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000862961150 730737911 /nfs/dbraw/zinc/73/79/11/730737911.db2.gz SSVPXBRIWPHHEB-UHFFFAOYSA-N 1 0 367.833 2.575 20 5 FFBDRO C[C@@H]1C[N@@H+](CCCCNc2cc(F)c([N+](=O)[O-])cc2CO)C[C@H](C)O1 ZINC000865601280 730975144 /nfs/dbraw/zinc/97/51/44/730975144.db2.gz NRXGCJHSQYTYEF-BETUJISGSA-N 1 0 355.410 2.528 20 5 FFBDRO C[C@@H]1C[NH+](CCCCNc2cc(F)c([N+](=O)[O-])cc2CO)C[C@@H](C)O1 ZINC000865601281 730975250 /nfs/dbraw/zinc/97/52/50/730975250.db2.gz NRXGCJHSQYTYEF-CHWSQXEVSA-N 1 0 355.410 2.528 20 5 FFBDRO CC[N@H+](CCNc1cc(F)c([N+](=O)[O-])cc1CO)CCC(F)(F)F ZINC000865725060 730990622 /nfs/dbraw/zinc/99/06/22/730990622.db2.gz QQJBYJGHTCNPRI-UHFFFAOYSA-N 1 0 353.316 2.912 20 5 FFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H](n1cncn1)C(F)(F)F ZINC000866435796 731060061 /nfs/dbraw/zinc/06/00/61/731060061.db2.gz GNPVVITVDMNKET-NOZJJQNGSA-N 1 0 361.299 2.650 20 5 FFBDRO C[NH+](C)C1(CNC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)CCC1 ZINC000867659056 731210570 /nfs/dbraw/zinc/21/05/70/731210570.db2.gz VPOFXAARPLYTJO-UHFFFAOYSA-N 1 0 370.247 2.500 20 5 FFBDRO C[C@]([NH3+])(C(=O)NCCC[C@@H]1CC1(Cl)Cl)c1cccc([N+](=O)[O-])c1 ZINC000867983109 731248606 /nfs/dbraw/zinc/24/86/06/731248606.db2.gz KHZDBGNTBKZPAZ-BXUZGUMPSA-N 1 0 360.241 2.859 20 5 FFBDRO C[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CC[NH2+]CC1 ZINC000868002282 731250478 /nfs/dbraw/zinc/25/04/78/731250478.db2.gz MDUVLSVEPUPJKX-LLVKDONJSA-N 1 0 360.439 2.836 20 5 FFBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2C[C@H]3CC[C@@H](C2)S3(=O)=O)c(Cl)c1 ZINC000873169123 731883733 /nfs/dbraw/zinc/88/37/33/731883733.db2.gz BBDKHMKTINRYOX-FTNCPSPGSA-N 1 0 358.847 2.694 20 5 FFBDRO [NH3+]C[C@@H]1CN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC[C@H]1C(F)(F)F ZINC000877017780 732313269 /nfs/dbraw/zinc/31/32/69/732313269.db2.gz QZVWAYSPEGOYQJ-YJJAWEDRSA-N 1 0 357.332 2.594 20 5 FFBDRO C[NH+](C)C1(CNC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000879024454 732633446 /nfs/dbraw/zinc/63/34/46/732633446.db2.gz WAXCDANXAGSPPX-UHFFFAOYSA-N 1 0 357.208 2.573 20 5 FFBDRO C[C@](CO)([NH2+]C[C@H](O)c1ccccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000879271365 732676401 /nfs/dbraw/zinc/67/64/01/732676401.db2.gz FGTLPDWYJJRRLT-DLBZAZTESA-N 1 0 350.802 2.779 20 5 FFBDRO CC(C)[C@H]1CN([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC[N@@H+]1C ZINC000879601314 732731763 /nfs/dbraw/zinc/73/17/63/732731763.db2.gz NVDJSXXORJWGGT-MLGOLLRUSA-N 1 0 368.865 2.847 20 5 FFBDRO Cc1csc([C@H]2CC[N@H+](C[C@H](O)COc3ccccc3[N+](=O)[O-])C2)n1 ZINC000880008758 732818473 /nfs/dbraw/zinc/81/84/73/732818473.db2.gz HDKAYOSQULOXOA-KBPBESRZSA-N 1 0 363.439 2.589 20 5 FFBDRO COc1ccccc1[C@H]1CSCCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000880174530 732860002 /nfs/dbraw/zinc/86/00/02/732860002.db2.gz PKVDQDUBEIRFLD-OAHLLOKOSA-N 1 0 362.455 2.980 20 5 FFBDRO CCOc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCCS2(=O)=O)cc1[N+](=O)[O-] ZINC000883306999 733365433 /nfs/dbraw/zinc/36/54/33/733365433.db2.gz JYPNGSGVNYGXML-OCCSQVGLSA-N 1 0 356.444 2.611 20 5 FFBDRO C[NH+]1CCC2(CC1)CN(c1cccc(C(F)(F)F)c1[N+](=O)[O-])CCO2 ZINC000884543299 733537060 /nfs/dbraw/zinc/53/70/60/733537060.db2.gz AIXUJWKLIMCHRU-UHFFFAOYSA-N 1 0 359.348 2.915 20 5 FFBDRO O=[N+]([O-])c1c(N2CCC([NH+]3CCOCC3)CC2)cccc1C(F)(F)F ZINC000884558264 733538859 /nfs/dbraw/zinc/53/88/59/733538859.db2.gz OEWZHZRKRXRWMF-UHFFFAOYSA-N 1 0 359.348 2.915 20 5 FFBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000885882497 733724714 /nfs/dbraw/zinc/72/47/14/733724714.db2.gz IMJRKOXSXRIFPK-CQSZACIVSA-N 1 0 367.833 2.540 20 5 FFBDRO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886118837 733751793 /nfs/dbraw/zinc/75/17/93/733751793.db2.gz QMLUNAXISUUWEY-STQMWFEESA-N 1 0 350.419 2.725 20 5 FFBDRO CCOc1cc(NC(=O)NC2CCC([NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000888831940 734103474 /nfs/dbraw/zinc/10/34/74/734103474.db2.gz RKXAPWZUEYDNDU-UHFFFAOYSA-N 1 0 350.419 2.988 20 5 FFBDRO CC(C)[N@H+](C)CCNc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000726185033 734412812 /nfs/dbraw/zinc/41/28/12/734412812.db2.gz UJWYSNPAUSZFEZ-UHFFFAOYSA-N 1 0 369.365 2.640 20 5 FFBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC(C[NH+](C)C)CC1 ZINC000729266277 734568546 /nfs/dbraw/zinc/56/85/46/734568546.db2.gz VBIUEUHLWJSEAP-LBPRGKRZSA-N 1 0 368.865 2.849 20 5 FFBDRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000895277841 734985797 /nfs/dbraw/zinc/98/57/97/734985797.db2.gz CSDNHEZQUUEUJB-GFCCVEGCSA-N 1 0 360.801 2.994 20 5 FFBDRO COc1c(O)ccc(C[NH2+]CCC2CC[NH+](C(C)C)CC2)c1[N+](=O)[O-] ZINC000895765926 735053156 /nfs/dbraw/zinc/05/31/56/735053156.db2.gz RTVXKHVESBTJRP-UHFFFAOYSA-N 1 0 351.447 2.909 20 5 FFBDRO C[N@@H+]1CCC[C@@H](NC(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)C1 ZINC000895835052 735061422 /nfs/dbraw/zinc/06/14/22/735061422.db2.gz XOJYPLCPRGOFGL-SSDOTTSWSA-N 1 0 350.177 2.865 20 5 FFBDRO CC[C@H](C(=O)OCC(=O)Nc1c(C)cccc1[N+](=O)[O-])[NH+](CC)CC ZINC000741032663 735111682 /nfs/dbraw/zinc/11/16/82/735111682.db2.gz MAXONXORVSCLSQ-CYBMUJFWSA-N 1 0 351.403 2.505 20 5 FFBDRO CN(C)c1cc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc[nH+]1 ZINC000748612117 735659077 /nfs/dbraw/zinc/65/90/77/735659077.db2.gz GJWZSPZYAFIJGO-UHFFFAOYSA-N 1 0 356.791 2.510 20 5 FFBDRO COC1CC[NH+](C(C)(C)CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000749983677 735765505 /nfs/dbraw/zinc/76/55/05/735765505.db2.gz QDXLNFIQEKLDIW-UHFFFAOYSA-N 1 0 369.849 2.867 20 5 FFBDRO C[C@H]([NH2+]Cc1cccc(N(C)S(C)(=O)=O)c1)c1ccc([N+](=O)[O-])cc1 ZINC000901699538 735822314 /nfs/dbraw/zinc/82/23/14/735822314.db2.gz CRHNMJGELAEGQT-ZDUSSCGKSA-N 1 0 363.439 2.841 20 5 FFBDRO CC[N@@H+]1CCC[C@@H]1CNC(=S)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000751913259 735933439 /nfs/dbraw/zinc/93/34/39/735933439.db2.gz FRMFMMQBRAICAP-DZGCQCFKSA-N 1 0 350.488 2.913 20 5 FFBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000753024640 736032253 /nfs/dbraw/zinc/03/22/53/736032253.db2.gz VFAWAGXEWUGKKC-SNVBAGLBSA-N 1 0 373.251 2.603 20 5 FFBDRO COC(=O)C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)C1CC1 ZINC000754543964 736170406 /nfs/dbraw/zinc/17/04/06/736170406.db2.gz YZDGZTGSMLLBSG-TVQRCGJNSA-N 1 0 369.805 2.507 20 5 FFBDRO COC(=O)C[C@@H]([NH2+][C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)C1CC1 ZINC000754543962 736170461 /nfs/dbraw/zinc/17/04/61/736170461.db2.gz YZDGZTGSMLLBSG-NOZJJQNGSA-N 1 0 369.805 2.507 20 5 FFBDRO O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CC[NH2+]CCC12CCOCC2 ZINC000904477729 736254373 /nfs/dbraw/zinc/25/43/73/736254373.db2.gz ZTIYEEBJLPNZTB-UHFFFAOYSA-N 1 0 368.821 2.625 20 5 FFBDRO O=[N+]([O-])c1cc(Br)ccc1-c1nc(CC2CC[NH2+]CC2)no1 ZINC000905313748 736326176 /nfs/dbraw/zinc/32/61/76/736326176.db2.gz NLOUSQCDSXDERC-UHFFFAOYSA-N 1 0 367.203 2.949 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@@H]1CCSC2(CCC2)C1 ZINC000905600484 736367034 /nfs/dbraw/zinc/36/70/34/736367034.db2.gz LHSJLLLXOVTFJT-KGLIPLIRSA-N 1 0 352.456 2.742 20 5 FFBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000756944181 736375708 /nfs/dbraw/zinc/37/57/08/736375708.db2.gz YXFIBRGWGFPXDJ-CYBMUJFWSA-N 1 0 352.822 2.532 20 5 FFBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000756963380 736377960 /nfs/dbraw/zinc/37/79/60/736377960.db2.gz AAUIDXZMBFKDKH-LBPRGKRZSA-N 1 0 354.838 2.779 20 5 FFBDRO CC[N@H+](C)C[C@@H]1CCN(c2c(Cl)cc([N+](=O)[O-])cc2C(=O)OC)C1 ZINC000757703785 736420949 /nfs/dbraw/zinc/42/09/49/736420949.db2.gz JLMSULOHSUNEON-NSHDSACASA-N 1 0 355.822 2.813 20 5 FFBDRO COc1cc(NC2CC[NH+](C[C@H]3CCCO3)CC2)c([N+](=O)[O-])cc1F ZINC000758394030 736483361 /nfs/dbraw/zinc/48/33/61/736483361.db2.gz SSWLSOMYYGGCIH-CYBMUJFWSA-N 1 0 353.394 2.798 20 5 FFBDRO C[C@H]1C[N@H+](CCCNC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCCO1 ZINC000763677642 736958494 /nfs/dbraw/zinc/95/84/94/736958494.db2.gz VXGGOUJJYGSXMZ-LBPRGKRZSA-N 1 0 370.837 2.871 20 5 FFBDRO CC[N@@H+]1CCCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000910268759 737050560 /nfs/dbraw/zinc/05/05/60/737050560.db2.gz GUUWYZBXBJADGW-NSHDSACASA-N 1 0 370.247 2.914 20 5 FFBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccc(Br)c([N+](=O)[O-])c2)C[C@H]1C ZINC000766557964 737241997 /nfs/dbraw/zinc/24/19/97/737241997.db2.gz XEXIGWVVAVIASH-GHMZBOCLSA-N 1 0 370.247 2.912 20 5 FFBDRO C[C@@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000912649502 737327699 /nfs/dbraw/zinc/32/76/99/737327699.db2.gz VOGRSADMGVXMPD-HIFRSBDPSA-N 1 0 351.422 2.998 20 5 FFBDRO O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912917519 737357296 /nfs/dbraw/zinc/35/72/96/737357296.db2.gz ICCNCAACBGUIOB-CQSZACIVSA-N 1 0 358.423 2.639 20 5 FFBDRO O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000773415050 737903938 /nfs/dbraw/zinc/90/39/38/737903938.db2.gz LMNCYGPLBKTELB-AWEZNQCLSA-N 1 0 367.833 2.575 20 5 FFBDRO CN1C[C@H](CC[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1=O ZINC000922487415 738153606 /nfs/dbraw/zinc/15/36/06/738153606.db2.gz CTERZVLJOMHKBJ-GFCCVEGCSA-N 1 0 360.439 2.676 20 5 FFBDRO CS(=O)(=O)c1ccccc1CC[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000922680646 738184054 /nfs/dbraw/zinc/18/40/54/738184054.db2.gz UVMMCWUGJQRSPM-UHFFFAOYSA-N 1 0 368.842 2.984 20 5 FFBDRO COC(=O)C(C)(C)[C@H]1CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776597752 738212547 /nfs/dbraw/zinc/21/25/47/738212547.db2.gz MECYMXMUXMJSMG-GOEBONIOSA-N 1 0 350.415 2.539 20 5 FFBDRO COC(=O)N1CCC([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000776810208 738235147 /nfs/dbraw/zinc/23/51/47/738235147.db2.gz YAQFZHOOGRKYMB-LBPRGKRZSA-N 1 0 351.403 2.560 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)C[C@@H]1C ZINC000778009119 738342070 /nfs/dbraw/zinc/34/20/70/738342070.db2.gz KTLWDFOOYKDJJA-QWHCGFSZSA-N 1 0 373.450 2.536 20 5 FFBDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000778243584 738366499 /nfs/dbraw/zinc/36/64/99/738366499.db2.gz JVZNLQYKYAOVHA-LLVKDONJSA-N 1 0 365.459 2.840 20 5 FFBDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000785814475 739000276 /nfs/dbraw/zinc/00/02/76/739000276.db2.gz BKPUQGHVMOGAFV-LBPRGKRZSA-N 1 0 367.833 2.574 20 5 FFBDRO O=[N+]([O-])c1ccc(Br)c(C[NH2+]C2(CO)CCSCC2)c1 ZINC000930696766 739149099 /nfs/dbraw/zinc/14/90/99/739149099.db2.gz IXLSJWDPTMAFAW-UHFFFAOYSA-N 1 0 361.261 2.705 20 5 FFBDRO O=[N+]([O-])c1ccc(Cl)cc1CN1CCC([N@@H+]2CCCOCC2)CC1 ZINC000931289128 739239122 /nfs/dbraw/zinc/23/91/22/739239122.db2.gz YHODVIZVKVBQTR-UHFFFAOYSA-N 1 0 353.850 2.935 20 5 FFBDRO Cc1cc(OS(=O)(=O)c2ccc(C[NH+](C)C)cc2)ccc1[N+](=O)[O-] ZINC000788590410 739261141 /nfs/dbraw/zinc/26/11/41/739261141.db2.gz BIUQSWOVQDOEIU-UHFFFAOYSA-N 1 0 350.396 2.733 20 5 FFBDRO C[C@]1([C@@H]2CCC[N@H+](Cc3cc([N+](=O)[O-])ccc3Cl)C2)COC(=O)N1 ZINC000932027454 739376627 /nfs/dbraw/zinc/37/66/27/739376627.db2.gz YYNMYTAULGCCFM-MLGOLLRUSA-N 1 0 353.806 2.959 20 5 FFBDRO CC[NH+]1CCC(CNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000790577903 739471205 /nfs/dbraw/zinc/47/12/05/739471205.db2.gz VOODCCQHUXAVEY-UHFFFAOYSA-N 1 0 357.813 2.778 20 5 FFBDRO CN(C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000790886787 739509079 /nfs/dbraw/zinc/50/90/79/739509079.db2.gz AWYFOMOPYVXLJN-GFCCVEGCSA-N 1 0 355.797 2.625 20 5 FFBDRO COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792873679 739714160 /nfs/dbraw/zinc/71/41/60/739714160.db2.gz UOABRKGPDCMAJU-XJKSGUPXSA-N 1 0 351.359 2.715 20 5 FFBDRO O=C(CC[N@@H+]1CC[C@@H](Cc2nccs2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000934334124 739767657 /nfs/dbraw/zinc/76/76/57/739767657.db2.gz BNECPXKYLOUNJH-ZDUSSCGKSA-N 1 0 360.439 2.945 20 5 FFBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000794217884 739864205 /nfs/dbraw/zinc/86/42/05/739864205.db2.gz QMVGJLUYUGFNSZ-GFCCVEGCSA-N 1 0 354.426 2.650 20 5 FFBDRO CSC1(CNC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC[NH+](C)CC1 ZINC000936042672 740049728 /nfs/dbraw/zinc/04/97/28/740049728.db2.gz QZKYGFOQFUNHQX-CVEARBPZSA-N 1 0 363.483 2.642 20 5 FFBDRO COC(=O)N1CCC([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000797520197 740253154 /nfs/dbraw/zinc/25/31/54/740253154.db2.gz JHEWFXBOOOVAKT-GFCCVEGCSA-N 1 0 351.403 2.560 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=S)NC[C@@H]1CCC[N@@H+]1CC ZINC000798374634 740326365 /nfs/dbraw/zinc/32/63/65/740326365.db2.gz WKMQDIBWWBGUNC-ZDUSSCGKSA-N 1 0 352.460 2.764 20 5 FFBDRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3ccc([N+](=O)[O-])c(Cl)c3)[C@H]2C1 ZINC000809788366 741344052 /nfs/dbraw/zinc/34/40/52/741344052.db2.gz RGNSNXOCTAMCDA-OFQRWUPVSA-N 1 0 351.834 2.985 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)[NH2+]CCc2ccc(F)cc2Cl)cc1 ZINC000811479783 741527891 /nfs/dbraw/zinc/52/78/91/741527891.db2.gz LTMPBINONUXIMW-IAGOWNOFSA-N 1 0 368.792 2.614 20 5 FFBDRO C[C@@H](COC(=O)c1ccccc1OCC[N@@H+]1CCCC[C@H]1C)[N+](=O)[O-] ZINC000813109032 741677887 /nfs/dbraw/zinc/67/78/87/741677887.db2.gz NRIGLLBQWYLRPM-CABCVRRESA-N 1 0 350.415 2.762 20 5 FFBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000817292267 742118636 /nfs/dbraw/zinc/11/86/36/742118636.db2.gz SCQNKSBOEBBGRS-YPMHNXCESA-N 1 0 354.838 2.601 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H]2CCN(c3ncccc3Cl)C2)cc1 ZINC000819156155 742345423 /nfs/dbraw/zinc/34/54/23/742345423.db2.gz YUWIMUOAMSXUFV-CJNGLKHVSA-N 1 0 362.817 2.545 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H]2CCOC3(CCSCC3)C2)cc1 ZINC000819179394 742348769 /nfs/dbraw/zinc/34/87/69/742348769.db2.gz NMEPBMVDDGKKBL-ZBFHGGJFSA-N 1 0 352.456 2.663 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2CCOC3(CCSCC3)C2)c1 ZINC000819178950 742348780 /nfs/dbraw/zinc/34/87/80/742348780.db2.gz GOCKYNUKCXZWLC-GDBMZVCRSA-N 1 0 352.456 2.663 20 5 FFBDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3cc(Cl)c(F)c([N+](=O)[O-])c3N)C2)C1 ZINC000820610084 742523901 /nfs/dbraw/zinc/52/39/01/742523901.db2.gz VCEMGWRCNRTGEN-MRXNPFEDSA-N 1 0 370.812 2.527 20 5 FFBDRO CC1(C)Oc2ccsc2[C@H]([NH2+]CCOc2ccccc2[N+](=O)[O-])[C@H]1O ZINC000821305999 742607395 /nfs/dbraw/zinc/60/73/95/742607395.db2.gz QBRKUWUDLYYLOI-GOEBONIOSA-N 1 0 364.423 2.898 20 5 FFBDRO O=C(N[C@H]1CC[C@H]([NH2+]Cc2ccc(Cl)c(F)c2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001034643661 742927589 /nfs/dbraw/zinc/92/75/89/742927589.db2.gz QPGRHPLCRKZUML-BRXULGCHSA-N 1 0 369.824 2.661 20 5 FFBDRO CCN(C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N)[C@H]1CC[N@H+](CC)C1 ZINC000825018077 743195300 /nfs/dbraw/zinc/19/53/00/743195300.db2.gz GHDIYZMAAQJTFV-VIFPVBQESA-N 1 0 358.801 2.526 20 5 FFBDRO Cn1nccc1[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CCO1 ZINC000825045435 743200445 /nfs/dbraw/zinc/20/04/45/743200445.db2.gz DJGVTICLXXPRJZ-CJNGLKHVSA-N 1 0 350.806 2.992 20 5 FFBDRO CC1(C)C[NH2+]CC[C@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000825179065 743223003 /nfs/dbraw/zinc/22/30/03/743223003.db2.gz LEBWYPTUCKVNMS-LLVKDONJSA-N 1 0 374.210 2.614 20 5 FFBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c(Cl)cccc3[N+](=O)[O-])CC[C@@H]21 ZINC000828509653 745077926 /nfs/dbraw/zinc/07/79/26/745077926.db2.gz FMOATODEBMSSTM-DOMZBBRYSA-N 1 0 351.834 2.733 20 5 FFBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1cc(Cl)c(C)cc1[N+](=O)[O-] ZINC000836754150 746297382 /nfs/dbraw/zinc/29/73/82/746297382.db2.gz XPXIGKMWEAXZAW-LBPRGKRZSA-N 1 0 357.838 2.643 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)cc1Cl ZINC000836784905 746305309 /nfs/dbraw/zinc/30/53/09/746305309.db2.gz JUHWPYGKSNYEAQ-CYBMUJFWSA-N 1 0 369.849 2.787 20 5 FFBDRO NC(=O)[C@]1(c2ccccc2)CC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000839643757 746880773 /nfs/dbraw/zinc/88/07/73/746880773.db2.gz SNLLGAPDVZUPGM-GOSISDBHSA-N 1 0 359.813 2.877 20 5 FFBDRO O=C(NCCC[NH2+]Cc1cccnc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000841010152 747254485 /nfs/dbraw/zinc/25/44/85/747254485.db2.gz BPONJSUEQWKIFQ-UHFFFAOYSA-N 1 0 363.805 2.945 20 5 FFBDRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841160658 747283804 /nfs/dbraw/zinc/28/38/04/747283804.db2.gz DBRMCGALIGRFQF-DTWKUNHWSA-N 1 0 357.208 2.571 20 5 FFBDRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841161144 747284392 /nfs/dbraw/zinc/28/43/92/747284392.db2.gz KGBAXOOILFDEHW-JOYOIKCWSA-N 1 0 371.235 2.996 20 5 FFBDRO C[C@@H]1CN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000841162636 747285595 /nfs/dbraw/zinc/28/55/95/747285595.db2.gz YQNVDRDWNYNGRL-KCJUWKMLSA-N 1 0 357.208 2.558 20 5 FFBDRO C[NH+](C)CC(C)(C)NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000841529119 747385927 /nfs/dbraw/zinc/38/59/27/747385927.db2.gz BQEORXYFDNUMOW-UHFFFAOYSA-N 1 0 370.258 2.520 20 5 FFBDRO [NH3+][C@H]1CCO[C@H](C2CCN(C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)CC2)C1 ZINC000842510135 747623313 /nfs/dbraw/zinc/62/33/13/747623313.db2.gz PJFLFBGQAARXEB-BBRMVZONSA-N 1 0 367.833 2.607 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2nc([C@@H]3CCC[NH2+]C3)no2)c(Br)c1 ZINC000842670442 747655094 /nfs/dbraw/zinc/65/50/94/747655094.db2.gz UVHSHATVQATEDY-MRVPVSSYSA-N 1 0 353.176 2.874 20 5 FFBDRO O=C(CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000843388216 747822510 /nfs/dbraw/zinc/82/25/10/747822510.db2.gz LPLSFYWREVXEDF-OLZOCXBDSA-N 1 0 366.849 2.508 20 5 FFBDRO CSc1ccc(C(=O)Nc2cnn(C3CC[NH2+]CC3)c2)cc1[N+](=O)[O-] ZINC000843455277 747839768 /nfs/dbraw/zinc/83/97/68/747839768.db2.gz AMLDXSYQCKMAKQ-UHFFFAOYSA-N 1 0 361.427 2.690 20 5 FFBDRO CC[C@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@@H](CC)CO1 ZINC000844388414 748018975 /nfs/dbraw/zinc/01/89/75/748018975.db2.gz YWMSPDDYQLJDQT-JSGCOSHPSA-N 1 0 353.394 2.952 20 5 FFBDRO C[C@H]1CN(c2cc(Cl)c(F)cc2[N+](=O)[O-])CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000845512344 748273384 /nfs/dbraw/zinc/27/33/84/748273384.db2.gz UXMJBHPUNKGGTO-WFASDCNBSA-N 1 0 370.856 2.850 20 5 FFBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC(CC[NH3+])CC1 ZINC000846225713 748434041 /nfs/dbraw/zinc/43/40/41/748434041.db2.gz QYDIWOVARCSZGA-LLVKDONJSA-N 1 0 354.838 2.636 20 5 FFBDRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)c3cccc(Cl)c3[N+](=O)[O-])C2)C1 ZINC000846687320 748524341 /nfs/dbraw/zinc/52/43/41/748524341.db2.gz CUWOOXRRKTVNCD-JMSVASOKSA-N 1 0 367.833 2.607 20 5 FFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC[S@](=O)CC(F)(F)F ZINC000850490969 749373263 /nfs/dbraw/zinc/37/32/63/749373263.db2.gz JGATYMIMGHOBLC-RULNZOCKSA-N 1 0 352.378 2.817 20 5 FFBDRO C[C@H]([NH2+]C[C@@H](O)c1cc(F)c(F)c(F)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850581377 749389408 /nfs/dbraw/zinc/38/94/08/749389408.db2.gz VPMJIGNEOTYPMA-VXJOIVPMSA-N 1 0 355.316 2.979 20 5 FFBDRO CC[NH+](CC)CCO[C@H]1CCN(c2cc(OC)c(C)cc2[N+](=O)[O-])C1 ZINC000853398976 750056483 /nfs/dbraw/zinc/05/64/83/750056483.db2.gz XHYZMECMKZMQHO-HNNXBMFYSA-N 1 0 351.447 2.849 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H](CO)CCc3ccccc3)CC2)cn1 ZINC000896527243 971539706 /nfs/dbraw/zinc/53/97/06/971539706.db2.gz JSHYQCLFVSGTFQ-GOSISDBHSA-N 1 0 370.453 2.542 20 5 FFBDRO Cc1cc(C)cc(C[NH+]2CCC(CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 ZINC001267943388 971684469 /nfs/dbraw/zinc/68/44/69/971684469.db2.gz LSHNZMAHBBWITA-RTBURBONSA-N 1 0 359.470 2.687 20 5 FFBDRO Cc1nn(C[N@@H+]2CCCCCCNC(=O)CC2)c2ccc([N+](=O)[O-])cc12 ZINC000872668147 1013244734 /nfs/dbraw/zinc/24/47/34/1013244734.db2.gz XZYPFZCMQNRLRI-UHFFFAOYSA-N 1 0 359.430 2.593 20 5 FFBDRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000873191324 1013416516 /nfs/dbraw/zinc/41/65/16/1013416516.db2.gz LWRMVQJBWNAVFL-LJQANCHMSA-N 1 0 360.410 2.695 20 5 FFBDRO O=C(N[C@H]1C[C@@H]([NH2+]C2c3ccccc3-c3ccccc32)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001022063939 964189350 /nfs/dbraw/zinc/18/93/50/964189350.db2.gz QCAXEQRSNYRDAM-JSVGYJQLSA-N 1 0 363.417 2.658 20 5 FFBDRO O=[N+]([O-])c1cnc2ccc(F)cc2c1N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000891741167 964997577 /nfs/dbraw/zinc/99/75/77/964997577.db2.gz LRECGCLYNBONSX-HNNXBMFYSA-N 1 0 374.416 2.973 20 5 FFBDRO CN(CCCC[NH+]1CCCCC1)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC001175687788 1013539902 /nfs/dbraw/zinc/53/99/02/1013539902.db2.gz LUSVVBJWRDRIAP-UHFFFAOYSA-N 1 0 374.485 2.682 20 5 FFBDRO CCN(C(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-])C1CCC1 ZINC000934041860 965542025 /nfs/dbraw/zinc/54/20/25/965542025.db2.gz KNBFVTLOQRLBMI-UHFFFAOYSA-N 1 0 361.446 2.753 20 5 FFBDRO COc1ccc(C[NH2+]C[C@@H]2COCO2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000894871122 965992844 /nfs/dbraw/zinc/99/28/44/965992844.db2.gz PWIWEFWFUZAUQT-QGZVFWFLSA-N 1 0 374.393 2.645 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CCN(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001167642413 967119598 /nfs/dbraw/zinc/11/95/98/967119598.db2.gz XKCIWGGXADQDHL-GOSISDBHSA-N 1 0 357.458 2.696 20 5 FFBDRO CCCCCC[N@H+](C)CC(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000135538942 968080595 /nfs/dbraw/zinc/08/05/95/968080595.db2.gz OFOHJSSEKWTHGW-HNNXBMFYSA-N 1 0 363.462 2.515 20 5 FFBDRO Cc1c(C(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000728604511 968815019 /nfs/dbraw/zinc/81/50/19/968815019.db2.gz DZZILEXNSYNXGH-CYBMUJFWSA-N 1 0 364.402 2.722 20 5 FFBDRO C[N@H+](CCNC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000177645700 969290860 /nfs/dbraw/zinc/29/08/60/969290860.db2.gz CAKLUDNVEZQIHI-UHFFFAOYSA-N 1 0 367.327 2.874 20 5 FFBDRO C[NH+](C)CCCOc1ccc(NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000825760126 1013956433 /nfs/dbraw/zinc/95/64/33/1013956433.db2.gz FCUVCKJKPAYIBN-GOSISDBHSA-N 1 0 373.409 2.597 20 5 FFBDRO CC(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C[C@@H]2C1 ZINC000895576659 970756028 /nfs/dbraw/zinc/75/60/28/970756028.db2.gz OSLHWHFNCRXKCL-IYBDPMFKSA-N 1 0 355.394 2.765 20 5 FFBDRO C[C@@H](CNC(=O)N1CC[N@@H+](C2CC2)C[C@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000897064525 973215358 /nfs/dbraw/zinc/21/53/58/973215358.db2.gz YZWKKIVIQPHWLT-GJZGRUSLSA-N 1 0 360.458 2.824 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H](C3CC3)[C@H]3CCCOC3)CC2)cn1 ZINC000897082461 973222011 /nfs/dbraw/zinc/22/20/11/973222011.db2.gz SWKLCRUAYMFZKM-KXBFYZLASA-N 1 0 360.458 2.753 20 5 FFBDRO CCCC[N@H+](C)CC1CCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000825887750 1014306522 /nfs/dbraw/zinc/30/65/22/1014306522.db2.gz QTZQNKUJBGKYPH-SFHVURJKSA-N 1 0 363.458 2.599 20 5 FFBDRO Cc1ncccc1OC[C@@H]1CCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000842173533 976710072 /nfs/dbraw/zinc/71/00/72/976710072.db2.gz RHNAKTPPVQLFDX-ROUUACIJSA-N 1 0 357.410 2.875 20 5 FFBDRO C[C@]12CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@]1(C)C[N@H+](CC1CCCCCC1)C2 ZINC000982278748 977375396 /nfs/dbraw/zinc/37/53/96/977375396.db2.gz QOTXQMHSIXKXNO-LFGUQSLTSA-N 1 0 363.502 2.792 20 5 FFBDRO [NH3+]C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)CC12CCOCC2 ZINC000876869939 1014405831 /nfs/dbraw/zinc/40/58/31/1014405831.db2.gz YLKNKDNZFYLQCS-HNNXBMFYSA-N 1 0 369.421 2.576 20 5 FFBDRO COC(=O)CC[C@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000877008623 1014447074 /nfs/dbraw/zinc/44/70/74/1014447074.db2.gz VGBYHSRIBJSPCW-DQPZFDDXSA-N 1 0 358.398 2.779 20 5 FFBDRO Cc1ccc(NC2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c(N(C)C)[nH+]1 ZINC000877123164 1014480675 /nfs/dbraw/zinc/48/06/75/1014480675.db2.gz PIZRIACRXLUTIF-UHFFFAOYSA-N 1 0 356.430 2.840 20 5 FFBDRO O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877282356 1014536640 /nfs/dbraw/zinc/53/66/40/1014536640.db2.gz DHPZOGNXQVUHQU-PXNSSMCTSA-N 1 0 361.445 2.508 20 5 FFBDRO Cc1cc(N[C@@H]2CCCN(C3COC3)C2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001168369109 980205541 /nfs/dbraw/zinc/20/55/41/980205541.db2.gz YFHXDFGODBHUAX-OAHLLOKOSA-N 1 0 369.425 2.635 20 5 FFBDRO CC[NH+]1CCN(c2cc(N(C)C(=O)[C@]34C[C@H]3CCC4)cc([N+](=O)[O-])c2)CC1 ZINC000906097899 980572226 /nfs/dbraw/zinc/57/22/26/980572226.db2.gz MIMLQJVNPRGTKG-FOIQADDNSA-N 1 0 372.469 2.890 20 5 FFBDRO COc1cc(C[N@@H+]2CC[C@H](C(C)(C)O)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000877835397 1014749761 /nfs/dbraw/zinc/74/97/61/1014749761.db2.gz ADWQXIOPCAKARK-LBPRGKRZSA-N 1 0 374.384 2.840 20 5 FFBDRO [NH3+]C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)C1CCCCC1 ZINC000155637071 981644991 /nfs/dbraw/zinc/64/49/91/981644991.db2.gz JRBXZXLLAUZPJD-KRWDZBQOSA-N 1 0 360.458 2.832 20 5 FFBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC[N@H+](CC)C[C@@H]2C)cc1OC ZINC000910294472 981903106 /nfs/dbraw/zinc/90/31/06/981903106.db2.gz UNYWPYJQFYVAFB-ZDUSSCGKSA-N 1 0 365.430 2.558 20 5 FFBDRO COCCO[C@]12CCC[C@@]1([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])CCO2 ZINC000898001351 982574289 /nfs/dbraw/zinc/57/42/89/982574289.db2.gz LLMXKTNKFRIWSZ-ZSKSOVMSSA-N 1 0 362.426 2.900 20 5 FFBDRO CCC[N@H+](C)C[C@@H]1CCN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000878162038 1014891691 /nfs/dbraw/zinc/89/16/91/1014891691.db2.gz IRGQOBJBWSYSPG-AWEZNQCLSA-N 1 0 359.430 2.809 20 5 FFBDRO C[N@@H+]1CCC[C@@H]2CN(Cc3nnc(-c4ccccc4[N+](=O)[O-])o3)CC[C@H]21 ZINC000878198465 1014909595 /nfs/dbraw/zinc/90/95/95/1014909595.db2.gz WWELDKVQOINJIB-UKRRQHHQSA-N 1 0 357.414 2.561 20 5 FFBDRO C[C@@]1(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C[NH+]2CCC1CC2 ZINC000912375333 984023050 /nfs/dbraw/zinc/02/30/50/984023050.db2.gz FNJKAARBNIRRKQ-JOCHJYFZSA-N 1 0 361.445 2.895 20 5 FFBDRO CN(C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)[C@H]1CCC[N@H+](C)C1 ZINC000151095493 984177453 /nfs/dbraw/zinc/17/74/53/984177453.db2.gz ULHKWPXEUHJUEW-INIZCTEOSA-N 1 0 360.458 2.751 20 5 FFBDRO C[NH+]1C[C@@]2(C)CN(C(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)C[C@]2(C)C1 ZINC000913294072 984234615 /nfs/dbraw/zinc/23/46/15/984234615.db2.gz HZCOIQKLRNYCIT-PMACEKPBSA-N 1 0 372.469 2.609 20 5 FFBDRO C[NH+](C)C[C@@H]1CN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c2ccccc2O1 ZINC000760820536 984530780 /nfs/dbraw/zinc/53/07/80/984530780.db2.gz FGKKVDAUPCRMFM-XLNAKTSKSA-N 1 0 367.405 2.964 20 5 FFBDRO Cc1nn(CN2CC[C@H](C[N@H+](C)CC3CC3)C2)c2cc([N+](=O)[O-])ccc12 ZINC000761291357 985124528 /nfs/dbraw/zinc/12/45/28/985124528.db2.gz LXVKBRIJRHUHEG-MRXNPFEDSA-N 1 0 357.458 2.874 20 5 FFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(C[NH2+]Cc2ccccc2C2CC2)CC1 ZINC000997772602 985735014 /nfs/dbraw/zinc/73/50/14/985735014.db2.gz OXDMPNAXVFUMNZ-RTBURBONSA-N 1 0 357.454 2.557 20 5 FFBDRO COc1cc(C[NH2+]C[C@](C)(O)c2cc(C)oc2C)c([N+](=O)[O-])cc1OC ZINC000174441540 986226796 /nfs/dbraw/zinc/22/67/96/986226796.db2.gz BUKFIELWUFQLRA-SFHVURJKSA-N 1 0 364.398 2.819 20 5 FFBDRO O=C1COc2cc([N+](=O)[O-])c(NCCCCC[NH+]3CCCCC3)cc2N1 ZINC000761894909 987967938 /nfs/dbraw/zinc/96/79/38/987967938.db2.gz OYPRECDOAIPABW-UHFFFAOYSA-N 1 0 362.430 2.994 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000879228960 1015419719 /nfs/dbraw/zinc/41/97/19/1015419719.db2.gz PCCPTHCCVLBUNO-HNNXBMFYSA-N 1 0 362.430 2.668 20 5 FFBDRO C[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000915876598 989183797 /nfs/dbraw/zinc/18/37/97/989183797.db2.gz ZEDRFCXTUYNMTB-NJSLBKSFSA-N 1 0 369.421 2.584 20 5 FFBDRO O=[N+]([O-])c1ccccc1OCC[N@H+]1Cc2cccnc2N2CCC[C@@H]2C1 ZINC000879498331 1015562670 /nfs/dbraw/zinc/56/26/70/1015562670.db2.gz QRJXAAAPOKJTMI-MRXNPFEDSA-N 1 0 354.410 2.853 20 5 FFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)OCc1cccnc1[N+](=O)[O-] ZINC000923853432 990972211 /nfs/dbraw/zinc/97/22/11/990972211.db2.gz YDKRYZRHFPHGHH-RHSMWYFYSA-N 1 0 355.394 2.801 20 5 FFBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)OCc1cccnc1[N+](=O)[O-] ZINC000923853448 990972394 /nfs/dbraw/zinc/97/23/94/990972394.db2.gz YDKRYZRHFPHGHH-YOEHRIQHSA-N 1 0 355.394 2.801 20 5 FFBDRO CCc1ccc(C[NH+]2CCC(C)(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1 ZINC001484135761 991407380 /nfs/dbraw/zinc/40/73/80/991407380.db2.gz HYNHMLVKHYBWGQ-QZTJIDSGSA-N 1 0 359.470 2.633 20 5 FFBDRO C[C@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1cccc([N+](=O)[O-])c1 ZINC000180432416 991492342 /nfs/dbraw/zinc/49/23/42/991492342.db2.gz JYAPLBSMWGYOTD-LBPRGKRZSA-N 1 0 358.354 2.817 20 5 FFBDRO C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000880079994 1015749678 /nfs/dbraw/zinc/74/96/78/1015749678.db2.gz MPQUZSPORCECNF-QZTJIDSGSA-N 1 0 371.393 2.585 20 5 FFBDRO C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000880080281 1015749743 /nfs/dbraw/zinc/74/97/43/1015749743.db2.gz RCHPXTBTEZTZPP-MSOLQXFVSA-N 1 0 371.393 2.585 20 5 FFBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880263003 1015793681 /nfs/dbraw/zinc/79/36/81/1015793681.db2.gz VPQWCBBZLLPXQT-CABCVRRESA-N 1 0 369.425 2.528 20 5 FFBDRO COc1cccc(-c2n[nH]cc2CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)c1 ZINC000809734469 994585070 /nfs/dbraw/zinc/58/50/70/994585070.db2.gz FJFVPIKFJORRNS-UHFFFAOYSA-N 1 0 367.409 2.959 20 5 FFBDRO C[NH+](C)Cc1ccnc(NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000880598723 1015886379 /nfs/dbraw/zinc/88/63/79/1015886379.db2.gz PRKRNUBRYQHUSC-UHFFFAOYSA-N 1 0 355.398 2.642 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2ncn(C[N@@H+]3CCC[C@H]([C@H]4CCOC4)C3)n2)c1 ZINC000747823579 995553794 /nfs/dbraw/zinc/55/37/94/995553794.db2.gz HEYTZARVOLHIPZ-HOTGVXAUSA-N 1 0 357.414 2.559 20 5 FFBDRO O=C(c1ccc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1)N1CCCC1 ZINC000813099498 995614980 /nfs/dbraw/zinc/61/49/80/995614980.db2.gz USWQYJRBRFWMAF-LJQANCHMSA-N 1 0 369.421 2.654 20 5 FFBDRO O=C(NC1CC[NH+](C2CCCCC2)CC1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000826771954 1016061123 /nfs/dbraw/zinc/06/11/23/1016061123.db2.gz VEZYPOCCSLFBCB-SFHVURJKSA-N 1 0 361.442 2.542 20 5 FFBDRO CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000823997546 996773972 /nfs/dbraw/zinc/77/39/72/996773972.db2.gz ZILBLSNKBDKRES-IBGZPJMESA-N 1 0 371.437 2.786 20 5 FFBDRO [NH3+][C@@H]1CCc2c3ccccc3n(-c3c[n+]([O-])c(Cl)cc3[N+](=O)[O-])c2C1 ZINC001171090836 997413563 /nfs/dbraw/zinc/41/35/63/997413563.db2.gz NPNBLQBSFBGVAF-SNVBAGLBSA-N 1 0 358.785 2.642 20 5 FFBDRO COC(=O)[C@@H]1C[N@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C[C@H]1C1CC1 ZINC000844766453 998149395 /nfs/dbraw/zinc/14/93/95/998149395.db2.gz ZFTISCDKBLRJIA-ZWKOTPCHSA-N 1 0 370.409 2.547 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@H]1COC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000845733622 998640901 /nfs/dbraw/zinc/64/09/01/998640901.db2.gz XOFGZQGIQSWABE-AWEZNQCLSA-N 1 0 365.386 2.852 20 5 FFBDRO Cc1c(CO)cc([N+](=O)[O-])c(N2CCC[N@@H+](C(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000732568513 998704886 /nfs/dbraw/zinc/70/48/86/998704886.db2.gz YJEWCBOHLUTLPK-UHFFFAOYSA-N 1 0 366.418 2.614 20 5 FFBDRO C[C@@H]1CCCCC[N@@H+]1CN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000738227501 999623100 /nfs/dbraw/zinc/62/31/00/999623100.db2.gz WJRVSIPOHKONQV-ACJLOTCBSA-N 1 0 360.414 2.584 20 5 FFBDRO O=C(Nc1ccccn1)[C@H]1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000742588505 999779250 /nfs/dbraw/zinc/77/92/50/999779250.db2.gz PPOZAZQRAPQUFC-HNNXBMFYSA-N 1 0 370.409 2.719 20 5 FFBDRO COc1cc(CC[NH2+]C[C@H](O)c2ccccc2C)c([N+](=O)[O-])cc1OC ZINC000743255416 999809310 /nfs/dbraw/zinc/80/93/10/999809310.db2.gz FGIFZBIPOVNCLH-KRWDZBQOSA-N 1 0 360.410 2.786 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])c(Cl)cc1-n1cnc2ccc(C[NH3+])cc21 ZINC001168847245 1000003484 /nfs/dbraw/zinc/00/34/84/1000003484.db2.gz YYEQNKKIMHBUMB-UHFFFAOYSA-N 1 0 360.757 2.832 20 5 FFBDRO CC(C)(C)OC(=O)N1CC([C@@H]2CC[N@@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)C1 ZINC001169014442 1000015673 /nfs/dbraw/zinc/01/56/73/1000015673.db2.gz ZVDFNZMKEUNOPR-FMKPAKJESA-N 1 0 353.463 2.621 20 5 FFBDRO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](C1)C2C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168988402 1000015952 /nfs/dbraw/zinc/01/59/52/1000015952.db2.gz RXMFYKSEIYJLCG-CLYSKQOPSA-N 1 0 367.490 2.915 20 5 FFBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2ccc3nnc(-c4ccccc4)n3c2)C1 ZINC001168990009 1000016081 /nfs/dbraw/zinc/01/60/81/1000016081.db2.gz ANGZFBBDVHUJEX-PBHICJAKSA-N 1 0 351.410 2.931 20 5 FFBDRO O=C1N(CC2CCCC2)CCC12CC[NH+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169024526 1000017818 /nfs/dbraw/zinc/01/78/18/1000017818.db2.gz WSGMMWNGPMAYRA-ZWKOTPCHSA-N 1 0 363.502 2.937 20 5 FFBDRO O=C1NC2(C[C@H]1c1ccccc1)CC[NH+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169022940 1000017873 /nfs/dbraw/zinc/01/78/73/1000017873.db2.gz NRSDERPGEAOMQP-JQHSSLGASA-N 1 0 357.454 2.570 20 5 FFBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCC(c3nc(-c4cccnc4)no3)CC2)C1 ZINC001169023845 1000017901 /nfs/dbraw/zinc/01/79/01/1000017901.db2.gz FRAAJFCNEGLLRN-BBRMVZONSA-N 1 0 357.414 2.756 20 5 FFBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCC(c3nc(-c4cccnc4)no3)CC2)C1 ZINC001169023846 1000017939 /nfs/dbraw/zinc/01/79/39/1000017939.db2.gz FRAAJFCNEGLLRN-CJNGLKHVSA-N 1 0 357.414 2.756 20 5 FFBDRO O=C1c2cccc(F)c2CN1[C@@H]1CCC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169056298 1000018920 /nfs/dbraw/zinc/01/89/20/1000018920.db2.gz RGKAVOICKRGZRS-SOUVJXGZSA-N 1 0 361.417 2.691 20 5 FFBDRO Cc1nccn1-c1cc[nH+]cc1NC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC001146986576 1000800155 /nfs/dbraw/zinc/80/01/55/1000800155.db2.gz FMJCPDKSOKXULL-UHFFFAOYSA-N 1 0 355.329 2.804 20 5 FFBDRO COC(=O)C[C@@]1([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(C)C)CCCOC1 ZINC000770691984 1000890442 /nfs/dbraw/zinc/89/04/42/1000890442.db2.gz LWTHNMDJHHCNOT-SFHVURJKSA-N 1 0 366.414 2.584 20 5 FFBDRO CN(C)c1cc(F)c(C(=O)NC2CCC(C[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000791221677 1002611397 /nfs/dbraw/zinc/61/13/97/1002611397.db2.gz YCFNDIDOQLZQID-UHFFFAOYSA-N 1 0 366.437 2.650 20 5 FFBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)C1 ZINC000791222577 1002611749 /nfs/dbraw/zinc/61/17/49/1002611749.db2.gz WNIKEWCJPQRGGO-CYBMUJFWSA-N 1 0 366.437 2.508 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)cc1F ZINC001185413704 1002949211 /nfs/dbraw/zinc/94/92/11/1002949211.db2.gz WXTVBQKSQXCUBX-CHWSQXEVSA-N 1 0 373.450 2.584 20 5 FFBDRO C[N@@H+]1CCC[C@@H]2CN(c3c4cc([N+](=O)[O-])ccc4ncc3[N+](=O)[O-])CC[C@H]21 ZINC001185701246 1003026457 /nfs/dbraw/zinc/02/64/57/1003026457.db2.gz FTCIVELAEORKBH-MLGOLLRUSA-N 1 0 371.397 2.972 20 5 FFBDRO COc1ccc(C[C@H](C)[NH2+][C@H](C)c2nnc3ccccn32)c([N+](=O)[O-])c1 ZINC001170298383 1003091856 /nfs/dbraw/zinc/09/18/56/1003091856.db2.gz KRURJGLFJDUQQT-QWHCGFSZSA-N 1 0 355.398 2.928 20 5 FFBDRO COc1ccc(C[C@@H](C)[NH2+]C[C@@]2(O)CCOc3ccccc32)c([N+](=O)[O-])c1 ZINC001170304458 1003093496 /nfs/dbraw/zinc/09/34/96/1003093496.db2.gz BZZHOLWBYTURMN-VLIAUNLRSA-N 1 0 372.421 2.794 20 5 FFBDRO CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNc2cc(Cl)ccc2/C=C/[N+](=O)[O-])O1 ZINC001170284680 1003101064 /nfs/dbraw/zinc/10/10/64/1003101064.db2.gz TUAIAVBITMYMSA-ONILBQQISA-N 1 0 355.822 2.724 20 5 FFBDRO COc1ccc(C[C@@H](C)[NH2+][C@H]2CCN(Cc3ccncc3)C2)c([N+](=O)[O-])c1 ZINC001170317922 1003108358 /nfs/dbraw/zinc/10/83/58/1003108358.db2.gz MFNAAONBSQEKFS-QAPCUYQASA-N 1 0 370.453 2.794 20 5 FFBDRO COc1ccc(C[C@H](C)[N@@H+]2CC[C@@H](Oc3ncc(C)cn3)C2)c([N+](=O)[O-])c1 ZINC001170355635 1003123129 /nfs/dbraw/zinc/12/31/29/1003123129.db2.gz NGOOEWSNYDSDCH-WMLDXEAASA-N 1 0 372.425 2.786 20 5 FFBDRO COC[C@@H]1C[N@@H+]([C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])Cc2cn(C)nc21 ZINC001170341345 1003130314 /nfs/dbraw/zinc/13/03/14/1003130314.db2.gz PIXPYBFEHIAACG-CJNGLKHVSA-N 1 0 374.441 2.514 20 5 FFBDRO COc1ccc(C[C@H](C)n2ccc([C@H]3CCC[NH2+]3)nc2=N)c([N+](=O)[O-])c1 ZINC001170344408 1003131490 /nfs/dbraw/zinc/13/14/90/1003131490.db2.gz BUKPLUALIFCLBW-SWLSCSKDSA-N 1 0 357.414 2.508 20 5 FFBDRO CCCN(CC[NH+]1CCCCC1)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000804567270 1003729122 /nfs/dbraw/zinc/72/91/22/1003729122.db2.gz OGBPNHKMIRZCBW-UHFFFAOYSA-N 1 0 364.402 2.841 20 5 FFBDRO CCCN(CC[NH+]1CCCCC1)C(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000804566236 1003729252 /nfs/dbraw/zinc/72/92/52/1003729252.db2.gz NQXDVCALVBURMW-UHFFFAOYSA-N 1 0 362.474 2.999 20 5 FFBDRO C[N@@H+]1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H]1Cc1ccccc1 ZINC000804719822 1003801601 /nfs/dbraw/zinc/80/16/01/1003801601.db2.gz IPVKHZFPRGZMRQ-MRXNPFEDSA-N 1 0 356.382 2.866 20 5 FFBDRO CCN(C)C(=O)OC[C@H]1CCCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000805762632 1004136960 /nfs/dbraw/zinc/13/69/60/1004136960.db2.gz LSFOMMDFRVXPJJ-IAGOWNOFSA-N 1 0 365.430 2.571 20 5 FFBDRO CCOC(=O)C1=C(Nc2cc(OC(C)C)c([N+](=O)[O-])cc2C)CC[NH2+]C1 ZINC001170521763 1004559170 /nfs/dbraw/zinc/55/91/70/1004559170.db2.gz OCOKIVWSGBASIH-UHFFFAOYSA-N 1 0 363.414 2.913 20 5 FFBDRO CC(=O)c1ccc([N+](=O)[O-])cc1NCc1ccnc(OCC[NH+](C)C)c1 ZINC000808009721 1004736059 /nfs/dbraw/zinc/73/60/59/1004736059.db2.gz SCURLTSTMOUGBU-UHFFFAOYSA-N 1 0 358.398 2.745 20 5 FFBDRO C[C@H](CNC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH+]1CCCCC1 ZINC000808280924 1004789659 /nfs/dbraw/zinc/78/96/59/1004789659.db2.gz WGYVQFZWARXHII-CQSZACIVSA-N 1 0 373.457 2.792 20 5 FFBDRO C[N@H+](CCCC(C)(C)C)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC001195487742 1004975960 /nfs/dbraw/zinc/97/59/60/1004975960.db2.gz KKVUJHWTCYHOGL-UHFFFAOYSA-N 1 0 357.476 2.631 20 5 FFBDRO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776275137 1005342315 /nfs/dbraw/zinc/34/23/15/1005342315.db2.gz JJYJYYWHIXVVDU-KUHUBIRLSA-N 1 0 367.409 2.902 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCNC(=O)c1ccc(F)cc1 ZINC000850426865 1005815009 /nfs/dbraw/zinc/81/50/09/1005815009.db2.gz GGNMTVWWBXJQKF-GFCCVEGCSA-N 1 0 361.373 2.823 20 5 FFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@]12OCCC[C@H]1C2(F)F ZINC000850533511 1005820676 /nfs/dbraw/zinc/82/06/76/1005820676.db2.gz ANUJGVSPTUKYQS-PEYYIBSZSA-N 1 0 369.368 2.716 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)CN2CCC([NH2+]Cc3ccccc3)CC2)cc1 ZINC000852117345 1005942693 /nfs/dbraw/zinc/94/26/93/1005942693.db2.gz YWVGLHMQERUHMX-HXUWFJFHSA-N 1 0 355.438 2.882 20 5 FFBDRO CCCCCNC(=O)C1CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776578755 1005958863 /nfs/dbraw/zinc/95/88/63/1005958863.db2.gz IUMGCXRLTDLZHF-GOSISDBHSA-N 1 0 363.458 2.647 20 5 FFBDRO CN(C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCN(c2ccccc2F)C1=O ZINC000776582193 1005962038 /nfs/dbraw/zinc/96/20/38/1005962038.db2.gz LRBNXZHVDJXGOY-ROUUACIJSA-N 1 0 373.384 2.505 20 5 FFBDRO C[N@H+](CCc1ccccc1)[C@@H]1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000852514976 1006061461 /nfs/dbraw/zinc/06/14/61/1006061461.db2.gz NIYWCCYIXXLQLR-RTWAWAEBSA-N 1 0 369.465 2.877 20 5 FFBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000852897740 1006225101 /nfs/dbraw/zinc/22/51/01/1006225101.db2.gz GEDPLXZQIPCDMX-HNNXBMFYSA-N 1 0 360.458 2.513 20 5 FFBDRO O=C1c2ccccc2C(=O)N1CCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000111394244 1006427138 /nfs/dbraw/zinc/42/71/38/1006427138.db2.gz LXPWGAACBNYAOP-UHFFFAOYSA-N 1 0 353.378 2.761 20 5 FFBDRO O=c1oc2cccc([N+](=O)[O-])c2n1CN1CC[C@@H](Oc2ccccc2)C1 ZINC000853595053 1006465820 /nfs/dbraw/zinc/46/58/20/1006465820.db2.gz WUTNSCRAGRPYKA-CQSZACIVSA-N 1 0 355.350 2.614 20 5 FFBDRO O=[N+]([O-])c1c2cccnc2ccc1N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000882724959 1006489499 /nfs/dbraw/zinc/48/94/99/1006489499.db2.gz GXPOCMPKZRSVDZ-HNNXBMFYSA-N 1 0 356.426 2.880 20 5 FFBDRO C[C@@H]([NH2+]CCCNC(=O)c1ccc(F)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815592597 1006702494 /nfs/dbraw/zinc/70/24/94/1006702494.db2.gz MQZAGRKOEPLBFZ-GFCCVEGCSA-N 1 0 360.389 2.787 20 5 FFBDRO CCc1[nH]nc(C(=O)N2c3ccc(C)cc3[C@H]3C[N@@H+](C)CC[C@H]32)c1[N+](=O)[O-] ZINC000854514036 1006869212 /nfs/dbraw/zinc/86/92/12/1006869212.db2.gz VFJIVQNHIDAIRG-CZUORRHYSA-N 1 0 369.425 2.637 20 5 FFBDRO CC[NH+](CC)C1CCN(C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)CC1 ZINC001116195083 1032184547 /nfs/dbraw/zinc/18/45/47/1032184547.db2.gz ZFKTVRQIKPJBEP-UHFFFAOYSA-N 1 0 364.402 2.758 20 5 FFBDRO O=[N+]([O-])c1ccc2c(cnn2C[N@H+]2CC[C@](O)(c3ccc(F)cc3)C2)c1 ZINC000776765609 1007036698 /nfs/dbraw/zinc/03/66/98/1007036698.db2.gz HALMXGIJXLVZBG-GOSISDBHSA-N 1 0 356.357 2.635 20 5 FFBDRO O=[N+]([O-])c1cn(C[N@@H+]2CCC[C@H]2C2CCOCC2)nc1-c1ccncc1 ZINC000776769743 1007059608 /nfs/dbraw/zinc/05/96/08/1007059608.db2.gz HREKCMHVWDZTGZ-INIZCTEOSA-N 1 0 357.414 2.702 20 5 FFBDRO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000816547283 1007106064 /nfs/dbraw/zinc/10/60/64/1007106064.db2.gz QRTLDCXLOYDVMW-CYBMUJFWSA-N 1 0 365.430 2.819 20 5 FFBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001116250315 1032218145 /nfs/dbraw/zinc/21/81/45/1032218145.db2.gz IDPDXBFZUMGRJW-CQSZACIVSA-N 1 0 352.822 2.628 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)c1C ZINC000884342844 1007385543 /nfs/dbraw/zinc/38/55/43/1007385543.db2.gz LMAWUUZTZNUCOI-DOTOQJQBSA-N 1 0 361.442 2.570 20 5 FFBDRO O=C(NCC1CC[NH+](Cc2ccncc2)CC1)c1cc(F)ccc1[N+](=O)[O-] ZINC000855527080 1007396175 /nfs/dbraw/zinc/39/61/75/1007396175.db2.gz AEOWLCBHFMUNBQ-UHFFFAOYSA-N 1 0 372.400 2.771 20 5 FFBDRO C[C@H](NC(=O)N1CCN(c2cc[nH+]cc2)C[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000884378635 1007401404 /nfs/dbraw/zinc/40/14/04/1007401404.db2.gz YTXNKZDRZKRLEH-GJZGRUSLSA-N 1 0 369.425 2.971 20 5 FFBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000856429527 1007822235 /nfs/dbraw/zinc/82/22/35/1007822235.db2.gz KNZMNAWYOPFVTG-FDPSAONLSA-N 1 0 361.442 2.567 20 5 FFBDRO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000856429528 1007823769 /nfs/dbraw/zinc/82/37/69/1007823769.db2.gz KNZMNAWYOPFVTG-OJSRQPNCSA-N 1 0 361.442 2.567 20 5 FFBDRO CCc1noc(C[C@@]2(O)CCC[N@@H+]([C@H](C)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC000856671001 1007942572 /nfs/dbraw/zinc/94/25/72/1007942572.db2.gz LHMDZBNEDXZTQD-ACJLOTCBSA-N 1 0 360.414 2.671 20 5 FFBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000818573610 1007945873 /nfs/dbraw/zinc/94/58/73/1007945873.db2.gz VASJNPBUZFEXGN-FQEVSTJZSA-N 1 0 374.485 2.951 20 5 FFBDRO CC(C)(C)OC(=O)N(CC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000819007787 1008006476 /nfs/dbraw/zinc/00/64/76/1008006476.db2.gz PQLCICLQOYDYNR-INIZCTEOSA-N 1 0 365.430 2.617 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2CCN(c3c(F)cccc3F)C2)c1 ZINC000819146278 1008042853 /nfs/dbraw/zinc/04/28/53/1008042853.db2.gz GCLJKXDPCXIJQS-SUMWQHHRSA-N 1 0 363.364 2.775 20 5 FFBDRO Cc1ccc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)c(O[C@H]2CCOC2)c1 ZINC000819157850 1008046479 /nfs/dbraw/zinc/04/64/79/1008046479.db2.gz YDEKXEVMCYDPEW-OALUTQOASA-N 1 0 372.421 2.894 20 5 FFBDRO O=C(Nc1ccccc1)N1CC[C@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000819293697 1008085684 /nfs/dbraw/zinc/08/56/84/1008085684.db2.gz FFKINWLHHKSPDM-WMZOPIPTSA-N 1 0 370.409 2.524 20 5 FFBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H](Oc3ccc(C4CC4)cn3)C2)c1 ZINC000858018417 1008278569 /nfs/dbraw/zinc/27/85/69/1008278569.db2.gz ATQCHFHRHPOZJQ-QGZVFWFLSA-N 1 0 357.414 2.607 20 5 FFBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000820503041 1008346096 /nfs/dbraw/zinc/34/60/96/1008346096.db2.gz DSNZHGDAKISEPW-RHSMWYFYSA-N 1 0 360.458 2.750 20 5 FFBDRO CCC1([NH+]2CCOCC2)CCN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC1 ZINC000858822829 1008430787 /nfs/dbraw/zinc/43/07/87/1008430787.db2.gz JVIYGSXSSOLIJC-UHFFFAOYSA-N 1 0 364.402 2.584 20 5 FFBDRO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@H+](Cc4ccnc(F)c4)CC3)nc2c1 ZINC000859252784 1008493253 /nfs/dbraw/zinc/49/32/53/1008493253.db2.gz UZMFGARESTYZFK-UHFFFAOYSA-N 1 0 370.388 2.718 20 5 FFBDRO CCCOc1cc(NC(=O)N(C)C[C@@H](C)[NH3+])c([N+](=O)[O-])cc1OCCC ZINC000859625342 1008593209 /nfs/dbraw/zinc/59/32/09/1008593209.db2.gz RNWBTZUQSUIJDJ-GFCCVEGCSA-N 1 0 368.434 2.983 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000822684647 1008733745 /nfs/dbraw/zinc/73/37/45/1008733745.db2.gz NURIVZOLHDICRM-INIZCTEOSA-N 1 0 361.442 2.539 20 5 FFBDRO O=C(COc1cccc([N+](=O)[O-])c1)O[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000117100641 1008761707 /nfs/dbraw/zinc/76/17/07/1008761707.db2.gz BPWLBXLIQUDPOD-SFHVURJKSA-N 1 0 356.378 2.791 20 5 FFBDRO CC(C)(c1nc(Cc2ccc([N+](=O)[O-])cn2)no1)[C@H]([NH3+])c1ccccc1 ZINC000822861773 1008800293 /nfs/dbraw/zinc/80/02/93/1008800293.db2.gz FXCPXIPSCXIZDM-MRXNPFEDSA-N 1 0 353.382 2.941 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@H](O)Cc2ccccc2F)n1 ZINC000886675234 1008812678 /nfs/dbraw/zinc/81/26/78/1008812678.db2.gz YUQDTGWBAODFGO-DJIMGWMZSA-N 1 0 362.405 2.607 20 5 FFBDRO CCC1([NH+]2CCC2)CCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000886712928 1008838143 /nfs/dbraw/zinc/83/81/43/1008838143.db2.gz POIQDPMERWZMDV-HNNXBMFYSA-N 1 0 360.458 2.872 20 5 FFBDRO Cc1c(NC(=O)[C@H](C)N2CCCC[C@@]3(CC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000886870166 1008907480 /nfs/dbraw/zinc/90/74/80/1008907480.db2.gz RBSBYZYGIDZTKO-KXBFYZLASA-N 1 0 360.458 2.696 20 5 FFBDRO COc1ccc(NC(=O)C[NH2+][C@H]2CCc3c2cccc3F)c([N+](=O)[O-])c1 ZINC000886921894 1008939008 /nfs/dbraw/zinc/93/90/08/1008939008.db2.gz ITSMWPBOXJBUGR-HNNXBMFYSA-N 1 0 359.357 2.958 20 5 FFBDRO C[C@@H](NC(=O)Nc1ccc(N)c([N+](=O)[O-])c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000823967620 1009283890 /nfs/dbraw/zinc/28/38/90/1009283890.db2.gz FZWBNGGCQGGMGU-OLZOCXBDSA-N 1 0 361.446 2.952 20 5 FFBDRO COc1ccc([C@H](C[NH+](C)C)NC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000823944803 1009286935 /nfs/dbraw/zinc/28/69/35/1009286935.db2.gz CYVMGLJFSKWANI-INIZCTEOSA-N 1 0 373.413 2.610 20 5 FFBDRO O=C(Nc1ccc2c[nH+]cn2c1)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC001179309959 1009303914 /nfs/dbraw/zinc/30/39/14/1009303914.db2.gz JSRDTTFNBCLRPJ-UHFFFAOYSA-N 1 0 354.322 2.656 20 5 FFBDRO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000130601030 1009351650 /nfs/dbraw/zinc/35/16/50/1009351650.db2.gz QILUOPAPUCFFIS-DOTOQJQBSA-N 1 0 360.414 2.512 20 5 FFBDRO C[C@@H]([NH2+][C@H]1CCc2ccccc2OC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000509520287 1009533958 /nfs/dbraw/zinc/53/39/58/1009533958.db2.gz CHOMXCUOLPDUSM-CJNGLKHVSA-N 1 0 355.394 2.905 20 5 FFBDRO Cc1c(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cccc1[N+](=O)[O-] ZINC000118866640 1009789147 /nfs/dbraw/zinc/78/91/47/1009789147.db2.gz PNXPFUCWXVTPPS-CQSZACIVSA-N 1 0 357.370 2.893 20 5 FFBDRO Cc1c([N+](=O)[O-])cc(C(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)cc1[N+](=O)[O-] ZINC000863029189 1010084713 /nfs/dbraw/zinc/08/47/13/1010084713.db2.gz BDHNURBAOMKPGK-CQSZACIVSA-N 1 0 362.386 2.558 20 5 FFBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1 ZINC000794589872 1010409921 /nfs/dbraw/zinc/40/99/21/1010409921.db2.gz BUKFSCJKFAHANU-WMHRWZGDSA-N 1 0 367.405 2.813 20 5 FFBDRO O=C1CN(C[N@H+](CC2CC2)CC2CCC2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000794711091 1010564690 /nfs/dbraw/zinc/56/46/90/1010564690.db2.gz PHIMPLAGDFJGMB-UHFFFAOYSA-N 1 0 372.425 2.833 20 5 FFBDRO Cc1cc(N2CCC([NH2+][C@@H](C)Cc3ccc(F)cc3[N+](=O)[O-])CC2)n[nH]1 ZINC000866345892 1010980821 /nfs/dbraw/zinc/98/08/21/1010980821.db2.gz SLTXMLGJUORTPS-LBPRGKRZSA-N 1 0 361.421 2.955 20 5 FFBDRO Cn1cc(CC[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c2cccnc21 ZINC000866574355 1011018794 /nfs/dbraw/zinc/01/87/94/1011018794.db2.gz VCLHZBFHAOTQMG-DLBZAZTESA-N 1 0 368.441 2.994 20 5 FFBDRO C[NH+](C)C[C@H]1CN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])c2ccccc2O1 ZINC000866620323 1011024298 /nfs/dbraw/zinc/02/42/98/1011024298.db2.gz KNZBHGJIMDEOMP-AWEZNQCLSA-N 1 0 373.384 2.632 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@H]1CCN(c3ncccn3)C1)CC2 ZINC001172897223 1012073587 /nfs/dbraw/zinc/07/35/87/1012073587.db2.gz YAUSQHHYMKSKJO-IRXDYDNUSA-N 1 0 353.426 2.501 20 5 FFBDRO COC[C@H]1Cn2nccc2C[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172909137 1012074393 /nfs/dbraw/zinc/07/43/93/1012074393.db2.gz GMOSGWVORWQREV-QAPCUYQASA-N 1 0 370.453 2.817 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]CCC1CCS(=O)(=O)CC1)CC2 ZINC001172899836 1012075121 /nfs/dbraw/zinc/07/51/21/1012075121.db2.gz DJWAEFZFJOEIIG-KRWDZBQOSA-N 1 0 366.483 2.647 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]C1CCN(c3ccncn3)CC1)CC2 ZINC001172908669 1012079496 /nfs/dbraw/zinc/07/94/96/1012079496.db2.gz YJQIZDRAEOYMPM-QGZVFWFLSA-N 1 0 367.453 2.891 20 5 FFBDRO COc1ncnc2c1CC[N@@H+]([C@@H]1CCc3ccc([N+](=O)[O-])cc3CC1)CC2 ZINC001172908263 1012079785 /nfs/dbraw/zinc/07/97/85/1012079785.db2.gz MXPRSSGKGBPHFW-MRXNPFEDSA-N 1 0 368.437 2.742 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@H]1CCCN(c3ncccn3)C1)CC2 ZINC001172908832 1012081424 /nfs/dbraw/zinc/08/14/24/1012081424.db2.gz ZQYTZJCMQYLKGE-MSOLQXFVSA-N 1 0 367.453 2.891 20 5 FFBDRO [NH2+]=C(N[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1)n1nnc2ccccc21 ZINC001172910100 1012122102 /nfs/dbraw/zinc/12/21/02/1012122102.db2.gz XBAAOXMKYYBLNP-CQSZACIVSA-N 1 0 350.382 2.660 20 5 FFBDRO COC[C@@H]1C[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)Cc2cn(C)nc21 ZINC001172909492 1012122226 /nfs/dbraw/zinc/12/22/26/1012122226.db2.gz SYTFYLLFFUVNOX-ROUUACIJSA-N 1 0 370.453 2.822 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(N2CCC([N@@H+]3CC[C@]4(CCOC4)C3)CC2)c(F)c1 ZINC001173009903 1012179807 /nfs/dbraw/zinc/17/98/07/1012179807.db2.gz JHIPLPXFIUDFBF-SFHVURJKSA-N 1 0 367.396 2.954 20 5 FFBDRO CC(C)(O)CCC[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173010432 1012179831 /nfs/dbraw/zinc/17/98/31/1012179831.db2.gz WASYSJBUTKJSOZ-UHFFFAOYSA-N 1 0 357.401 2.983 20 5 FFBDRO CC1(CC[NH2+]C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)OCCO1 ZINC001173012249 1012183600 /nfs/dbraw/zinc/18/36/00/1012183600.db2.gz QTXGYZRYTHJSHS-UHFFFAOYSA-N 1 0 371.384 2.585 20 5 FFBDRO CN1CCC([N@H+](C)C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)CC1 ZINC001173013777 1012184407 /nfs/dbraw/zinc/18/44/07/1012184407.db2.gz FCNUMXZBONKKTN-UHFFFAOYSA-N 1 0 368.428 2.868 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH+]3CCN(C4CC4)CC3)CC2)c(F)c1 ZINC001173014350 1012184611 /nfs/dbraw/zinc/18/46/11/1012184611.db2.gz OZECVNNJDFLKDM-UHFFFAOYSA-N 1 0 366.412 2.622 20 5 FFBDRO C[C@@]1(O)CCC[N@@H+](C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)C1 ZINC001173018661 1012188451 /nfs/dbraw/zinc/18/84/51/1012188451.db2.gz YQNBAINLPQADSM-QGZVFWFLSA-N 1 0 355.385 2.689 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CCC(=O)NC2CCCC2)c1F ZINC001173175125 1012319971 /nfs/dbraw/zinc/31/99/71/1012319971.db2.gz AFTJUPRAUUJERQ-GFCCVEGCSA-N 1 0 367.421 2.712 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]Cc2nnc3cc(C)ccn32)c1F ZINC001173177599 1012320085 /nfs/dbraw/zinc/32/00/85/1012320085.db2.gz VUBDDQRHUGYDKH-LBPRGKRZSA-N 1 0 373.388 2.814 20 5 FFBDRO COCCC1([NH3+])CCN([C@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])CC1 ZINC001173178020 1012320954 /nfs/dbraw/zinc/32/09/54/1012320954.db2.gz FXFMNFZNMKKPEU-CYBMUJFWSA-N 1 0 369.437 2.503 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CCC(=O)N2CCCCC2)c1F ZINC001173178815 1012321657 /nfs/dbraw/zinc/32/16/57/1012321657.db2.gz MKOXZNRSXQWBIO-ZDUSSCGKSA-N 1 0 367.421 2.666 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@H]2Cc3ccccc3NC2=O)c1F ZINC001173180007 1012322330 /nfs/dbraw/zinc/32/23/30/1012322330.db2.gz RYSYMEOIDBASPW-NHYWBVRUSA-N 1 0 373.384 2.827 20 5 FFBDRO CCN(CC)C(=O)[C@@H](C)[NH2+][C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173180340 1012323419 /nfs/dbraw/zinc/32/34/19/1012323419.db2.gz VOEVIKVDPRUJGX-NWDGAFQWSA-N 1 0 355.410 2.520 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CC(=O)c2ccc(O)cc2)c1F ZINC001173180823 1012325036 /nfs/dbraw/zinc/32/50/36/1012325036.db2.gz UCIYUGGEOBLVKY-NSHDSACASA-N 1 0 362.357 2.852 20 5 FFBDRO COC(=O)c1ccc(C[NH3+])n1[C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173182053 1012326330 /nfs/dbraw/zinc/32/63/30/1012326330.db2.gz YWEZFYCDLYXCJD-SNVBAGLBSA-N 1 0 365.361 2.593 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CCO[C@H]2CCCCO2)c1F ZINC001173182725 1012327232 /nfs/dbraw/zinc/32/72/32/1012327232.db2.gz KXKOUHFOEVDYRP-WBMJQRKESA-N 1 0 356.394 2.806 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CCN(c3cc[nH+]cc3)CC2)c1F ZINC001173187332 1012328358 /nfs/dbraw/zinc/32/83/58/1012328358.db2.gz ZFNUFMLGOVOFAR-CQSZACIVSA-N 1 0 374.416 2.891 20 5 FFBDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C1 ZINC001173186369 1012328487 /nfs/dbraw/zinc/32/84/87/1012328487.db2.gz RNBCDSZEHHKUPL-UPJWGTAASA-N 1 0 368.405 2.995 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C[C@H](O)c2cccc(O)c2)c1F ZINC001173188878 1012329273 /nfs/dbraw/zinc/32/92/73/1012329273.db2.gz LTJXQUSCERZZIB-BZNIZROVSA-N 1 0 364.373 2.702 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CCC[C@H](n3ccnn3)C2)c1F ZINC001173191186 1012330933 /nfs/dbraw/zinc/33/09/33/1012330933.db2.gz AVCYMOQDUJCPSB-STQMWFEESA-N 1 0 363.393 2.602 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2C[C@H]3CCC[N@H+](C)[C@@H]3C2)c1F ZINC001173192823 1012334152 /nfs/dbraw/zinc/33/41/52/1012334152.db2.gz NAZMMBDPILMNID-WOSRLPQWSA-N 1 0 351.422 2.700 20 5 FFBDRO CCOC(=O)[C@H]1C[C@@H]([NH2+][C@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C1 ZINC001173191909 1012336344 /nfs/dbraw/zinc/33/63/44/1012336344.db2.gz NSVVIKZJUFGOJS-UTUOFQBUSA-N 1 0 354.378 2.605 20 5 FFBDRO CC[NH+]1C[C@@H]2CN([C@H](C)Cc3c(F)c(OC)ccc3[N+](=O)[O-])C[C@H]2C1 ZINC001173193922 1012337144 /nfs/dbraw/zinc/33/71/44/1012337144.db2.gz SBGGLIQETRRLJM-MGPQQGTHSA-N 1 0 351.422 2.557 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CCC[C@@H]3C[N@H+](C)C[C@H]32)c1F ZINC001173195430 1012338003 /nfs/dbraw/zinc/33/80/03/1012338003.db2.gz FXVJPGYCSGUWHB-WOSRLPQWSA-N 1 0 351.422 2.700 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH+]2CCC(N3CC(F)C3)CC2)c1F ZINC001173194882 1012339305 /nfs/dbraw/zinc/33/93/05/1012339305.db2.gz ARYPBXJWVVJOFX-LBPRGKRZSA-N 1 0 369.412 2.792 20 5 FFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCc1cccc(S(C)(=O)=O)c1 ZINC001173221668 1012352480 /nfs/dbraw/zinc/35/24/80/1012352480.db2.gz OLEFSSQZLYIKQF-AWEZNQCLSA-N 1 0 362.451 2.762 20 5 FFBDRO COc1ccnc(O[C@H]2CCC[N@@H+]([C@H](C)Cc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC001173237402 1012382880 /nfs/dbraw/zinc/38/28/80/1012382880.db2.gz JCIWXWOGPJNBGO-PBHICJAKSA-N 1 0 372.425 2.868 20 5 FFBDRO C[NH+]1CCC2(CCN(C(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)CC2)CC1 ZINC000870507861 1012425435 /nfs/dbraw/zinc/42/54/35/1012425435.db2.gz IJGOIOXRJDYLOM-UHFFFAOYSA-N 1 0 370.453 2.953 20 5 FFBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@H]1CCN1C1CCOCC1)C1CC1 ZINC000927108371 1018367878 /nfs/dbraw/zinc/36/78/78/1018367878.db2.gz ITCFXKPYWQXUKK-RTBURBONSA-N 1 0 359.470 2.759 20 5 FFBDRO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000827675725 1018608974 /nfs/dbraw/zinc/60/89/74/1018608974.db2.gz XPBZHAPIJNMWKV-GOSISDBHSA-N 1 0 371.437 2.655 20 5 FFBDRO COc1cn(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c(C)cc1=O ZINC000902291723 1020057439 /nfs/dbraw/zinc/05/74/39/1020057439.db2.gz XZVXEUFERCNWIK-MRXNPFEDSA-N 1 0 357.410 2.911 20 5 FFBDRO O=C1CN(C[N@H+](C2CC2)C2CCCC2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000726586686 1020490159 /nfs/dbraw/zinc/49/01/59/1020490159.db2.gz NKUGCEGYUYGAMJ-UHFFFAOYSA-N 1 0 358.398 2.728 20 5 FFBDRO O=[N+]([O-])c1cc(Br)cc(F)c1O[C@@H]1CCC[NH2+]C[C@H]1F ZINC001217950528 1032916641 /nfs/dbraw/zinc/91/66/41/1032916641.db2.gz PTSWGLHITOBVHO-MWLCHTKSSA-N 1 0 351.147 2.965 20 5 FFBDRO COc1cc2c(cc1OC)C1(CCC1)[N@H+](CCn1ccc([N+](=O)[O-])n1)CC2 ZINC000932087513 1020700419 /nfs/dbraw/zinc/70/04/19/1020700419.db2.gz PFUBDGUODWKOLQ-UHFFFAOYSA-N 1 0 372.425 2.746 20 5 FFBDRO Cn1ccc(C2CC[NH+](CCC(=O)Nc3ccccc3[N+](=O)[O-])CC2)n1 ZINC000932142089 1020722224 /nfs/dbraw/zinc/72/22/24/1020722224.db2.gz JEGTXACVSQPLHW-UHFFFAOYSA-N 1 0 357.414 2.537 20 5 FFBDRO O=c1c2cc(O[C@@H]3C[NH2+]CCC[C@H]3F)c(O)cc2oc2cccc(O)c12 ZINC001217978314 1032929689 /nfs/dbraw/zinc/92/96/89/1032929689.db2.gz PSLZIIVMHCXYDB-PIGZYNQJSA-N 1 0 359.353 2.826 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1C ZINC000900980377 1020763216 /nfs/dbraw/zinc/76/32/16/1020763216.db2.gz KSOASDZKRNVSOL-HUUCEWRRSA-N 1 0 363.458 2.831 20 5 FFBDRO C[C@@H](C1CC1)N(C)C(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000934043103 1021129282 /nfs/dbraw/zinc/12/92/82/1021129282.db2.gz DVOCZOACLHLCKI-ZDUSSCGKSA-N 1 0 361.446 2.609 20 5 FFBDRO COc1ccc([C@H]2CCC[N@@H+]2C[C@@H](O)COc2ccccc2[N+](=O)[O-])nc1 ZINC000934343791 1021203358 /nfs/dbraw/zinc/20/33/58/1021203358.db2.gz PLYVPNHFKIJCRI-RHSMWYFYSA-N 1 0 373.409 2.575 20 5 FFBDRO O=[N+]([O-])c1cc(OC2CC3(C2)CC[NH2+]C3)ccc1I ZINC001218062875 1032976035 /nfs/dbraw/zinc/97/60/35/1032976035.db2.gz CQZURYHZXCULDS-UHFFFAOYSA-N 1 0 374.178 2.720 20 5 FFBDRO O=[N+]([O-])c1c2c(cc(Br)c1O[C@@H]1C[C@H]3C[C@@H]1C[NH2+]3)CCC2 ZINC001218113075 1033002523 /nfs/dbraw/zinc/00/25/23/1033002523.db2.gz ZKMKSWQTQCQRGO-GIPNMCIBSA-N 1 0 353.216 2.975 20 5 FFBDRO CC(C)C[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CC1 ZINC000043008362 1022205385 /nfs/dbraw/zinc/20/53/85/1022205385.db2.gz GFSPDOZFHJRPCA-UHFFFAOYSA-N 1 0 374.485 2.999 20 5 FFBDRO CN(C)CC(=O)Nc1ccc2nc(O[C@H]3CC[NH2+]C3)c3ccccc3c2c1 ZINC001218182165 1033036752 /nfs/dbraw/zinc/03/67/52/1033036752.db2.gz PSNSHUUHUZLSAP-HNNXBMFYSA-N 1 0 364.449 2.629 20 5 FFBDRO CC(C)c1nccn1CCNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000778734537 1022293437 /nfs/dbraw/zinc/29/34/37/1022293437.db2.gz QMLAVLCCIIODTD-UHFFFAOYSA-N 1 0 368.340 2.946 20 5 FFBDRO O=[N+]([O-])c1ccccc1OCCN1CCOC[C@H]1C[C@H](O)c1ccccc1 ZINC000157763052 1022458365 /nfs/dbraw/zinc/45/83/65/1022458365.db2.gz UBHOMXKWNIPZNB-MJGOQNOKSA-N 1 0 372.421 2.798 20 5 FFBDRO COC(=O)[C@@H](C)CN(Cc1ccccc1)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000158574139 1022541250 /nfs/dbraw/zinc/54/12/50/1022541250.db2.gz MHXPEXYGJWZGDY-ZDUSSCGKSA-N 1 0 360.414 2.677 20 5 FFBDRO Cc1ccc(C(=O)c2cc(O)c(O[C@H]3C[NH2+]CC[C@H]3F)c([N+](=O)[O-])c2)cc1 ZINC001218320545 1033103415 /nfs/dbraw/zinc/10/34/15/1033103415.db2.gz ZTXXBROXFCAYOF-PBHICJAKSA-N 1 0 374.368 2.919 20 5 FFBDRO O=[N+]([O-])c1c2c(cc(Br)c1O[C@H]1C[NH2+]CC[C@H]1F)CCC2 ZINC001218322332 1033104617 /nfs/dbraw/zinc/10/46/17/1033104617.db2.gz OEJAFXMAILRIHT-NEPJUHHUSA-N 1 0 359.195 2.925 20 5 FFBDRO C/C(=C\C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000752351271 1023125296 /nfs/dbraw/zinc/12/52/96/1023125296.db2.gz QVWGNPBHXSMXEF-LLLGYDHXSA-N 1 0 373.453 2.758 20 5 FFBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2C[C@@H]([NH3+])C(C)(C)C2)CC1 ZINC001122245707 1023141883 /nfs/dbraw/zinc/14/18/83/1023141883.db2.gz KRNGHVXRDAJQCP-QGZVFWFLSA-N 1 0 360.458 2.640 20 5 FFBDRO Cc1cc(F)cc(C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000753080234 1023264971 /nfs/dbraw/zinc/26/49/71/1023264971.db2.gz FLBMMWVRGWEODY-MRXNPFEDSA-N 1 0 359.401 2.945 20 5 FFBDRO C[C@@H]1[NH2+]C[C@@H]1Oc1nc2ccc(NC(=O)CN(C)C)cc2c2ccccc21 ZINC001218385185 1033130725 /nfs/dbraw/zinc/13/07/25/1033130725.db2.gz GTLZUGAQKBXSDC-DJJJIMSYSA-N 1 0 364.449 2.627 20 5 FFBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)CCC(F)(F)F)c2)CC1 ZINC001121160899 1023632034 /nfs/dbraw/zinc/63/20/34/1023632034.db2.gz TTZHSDGFOPVRLR-UHFFFAOYSA-N 1 0 360.336 2.628 20 5 FFBDRO CCn1cc([N+](=O)[O-])c(C(=O)O[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000755835391 1023642414 /nfs/dbraw/zinc/64/24/14/1023642414.db2.gz YQWGSEWGNRSYRX-GOEBONIOSA-N 1 0 372.425 2.879 20 5 FFBDRO C[C@]1(COC(=O)Cn2cc([N+](=O)[O-])cn2)CCCC[N@@H+]1Cc1ccccc1 ZINC000755917311 1023650689 /nfs/dbraw/zinc/65/06/89/1023650689.db2.gz WDEKIYBECVAUET-LJQANCHMSA-N 1 0 372.425 2.779 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000756626048 1023736655 /nfs/dbraw/zinc/73/66/55/1023736655.db2.gz JXBCOXKBHBYDBZ-UHFFFAOYSA-N 1 0 370.409 2.608 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000756628738 1023737607 /nfs/dbraw/zinc/73/76/07/1023737607.db2.gz SEJMABQSJSMQJW-UHFFFAOYSA-N 1 0 370.409 2.608 20 5 FFBDRO O=[N+]([O-])c1ccc(I)c(O[C@@H]2CC[C@H]3C[NH2+]C[C@@H]32)c1 ZINC001218460826 1033166854 /nfs/dbraw/zinc/16/68/54/1033166854.db2.gz NZVALLLYMCDNCZ-PTOFAABTSA-N 1 0 374.178 2.576 20 5 FFBDRO CCn1c(-c2ccc([N+](=O)[O-])o2)nnc1N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC001121698218 1023933913 /nfs/dbraw/zinc/93/39/13/1023933913.db2.gz CVHSMZVGPNHNLK-QWHCGFSZSA-N 1 0 362.434 2.633 20 5 FFBDRO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C3CC3)[C@H]2C1 ZINC001123705343 1023949825 /nfs/dbraw/zinc/94/98/25/1023949825.db2.gz MLSLFPTUOFHCQX-WBAXXEDZSA-N 1 0 358.442 2.609 20 5 FFBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000758333644 1024049172 /nfs/dbraw/zinc/04/91/72/1024049172.db2.gz IBKWGNVHDYLNJH-KDOFPFPSSA-N 1 0 372.469 2.798 20 5 FFBDRO CC(C)(C)CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001101540350 1024885395 /nfs/dbraw/zinc/88/53/95/1024885395.db2.gz DKEYPQDVYFMOAK-HZPDHXFCSA-N 1 0 353.507 2.942 20 5 FFBDRO C[N@@H+]1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC12CCCCC2 ZINC001141153740 1025535137 /nfs/dbraw/zinc/53/51/37/1025535137.db2.gz QHDLZWJXURCGNW-UHFFFAOYSA-N 1 0 360.458 2.874 20 5 FFBDRO CC(C)[N@@H+]1CCCC[C@@H]1COC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000837432738 1025801479 /nfs/dbraw/zinc/80/14/79/1025801479.db2.gz XYPLEVHGMVDDAL-MRXNPFEDSA-N 1 0 360.414 2.751 20 5 FFBDRO Cc1nn(CN2CC[N@H+](Cc3ccccc3)C[C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000840135361 1026975825 /nfs/dbraw/zinc/97/58/25/1026975825.db2.gz OHECVOYNLOHJRO-OAHLLOKOSA-N 1 0 357.458 2.820 20 5 FFBDRO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CC[N@H+](C(C)C)[C@@H](C)C1 ZINC001158493585 1027043642 /nfs/dbraw/zinc/04/36/42/1027043642.db2.gz ARDKHXGTCSUEBV-NSHDSACASA-N 1 0 370.837 2.739 20 5 FFBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)OCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000840405801 1027071914 /nfs/dbraw/zinc/07/19/14/1027071914.db2.gz UQADDEWTNJENMW-UHFFFAOYSA-N 1 0 370.409 2.915 20 5 FFBDRO [NH3+]Cc1ccc2nnn(-c3cc4ccc(Cl)nc4cc3[N+](=O)[O-])c2c1 ZINC001159033413 1027238810 /nfs/dbraw/zinc/23/88/10/1027238810.db2.gz GIKMEOGMDMGDNU-UHFFFAOYSA-N 1 0 354.757 2.989 20 5 FFBDRO O=C(NCCC1=CC[N@H+](CCCCC(F)(F)F)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001160097841 1027589224 /nfs/dbraw/zinc/58/92/24/1027589224.db2.gz LJAXFCYUAUOVIN-ZIAGYGMSSA-N 1 0 363.380 2.523 20 5 FFBDRO CCc1ccccc1CC[N@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001160107912 1027595221 /nfs/dbraw/zinc/59/52/21/1027595221.db2.gz YGFKHJKHFVRIPM-WOJBJXKFSA-N 1 0 371.481 2.595 20 5 FFBDRO O=[N+]([O-])c1cccc2ncnc(NCc3ccccc3N3CC[NH2+]CC3)c21 ZINC001160115228 1027600542 /nfs/dbraw/zinc/60/05/42/1027600542.db2.gz BFYSXVACGZPHTE-UHFFFAOYSA-N 1 0 364.409 2.560 20 5 FFBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1cc(C(=O)OCC)cc([N+](=O)[O-])c1 ZINC001160312333 1027668718 /nfs/dbraw/zinc/66/87/18/1027668718.db2.gz BEBFDUTXZBILPZ-CYBMUJFWSA-N 1 0 365.430 2.622 20 5 FFBDRO CCOC(=O)c1ccnc(-n2cc(C[NH3+])c3c2cccc3OC)c1[N+](=O)[O-] ZINC001160764140 1027868444 /nfs/dbraw/zinc/86/84/44/1027868444.db2.gz CYFKZCWPBYETTA-UHFFFAOYSA-N 1 0 370.365 2.578 20 5 FFBDRO Cc1nn(CN2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c(C)c1[N+](=O)[O-] ZINC000795711872 1027924472 /nfs/dbraw/zinc/92/44/72/1027924472.db2.gz TUFIEQTYIGXKRQ-FQEVSTJZSA-N 1 0 369.469 2.964 20 5 FFBDRO [NH3+]C/C=C/CNC(F)(F)c1cc(-c2ccccc2[N+](=O)[O-])nnc1Cl ZINC001160983445 1027956644 /nfs/dbraw/zinc/95/66/44/1027956644.db2.gz GJCDRLXIETVOSM-ONEGZZNKSA-N 1 0 369.759 2.859 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)ncnc2NC1(Cc2ccccn2)CC[NH2+]CC1 ZINC001161491445 1028197268 /nfs/dbraw/zinc/19/72/68/1028197268.db2.gz KXURDBZQIZXPGM-UHFFFAOYSA-N 1 0 364.409 2.710 20 5 FFBDRO O=[N+]([O-])c1cccc2ncnc(NC3(Cc4ccccn4)CC[NH2+]CC3)c21 ZINC001161496610 1028201885 /nfs/dbraw/zinc/20/18/85/1028201885.db2.gz WPWRTEGMTNYDFY-UHFFFAOYSA-N 1 0 364.409 2.710 20 5 FFBDRO C[C@H](C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000249738776 1028286982 /nfs/dbraw/zinc/28/69/82/1028286982.db2.gz HQXZHSRFHXMAAO-BZUAXINKSA-N 1 0 360.458 2.505 20 5 FFBDRO CC1(C)CC(C[NH+]2CCC3(CCN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])CC3)CC2)C1 ZINC000957547966 1028324638 /nfs/dbraw/zinc/32/46/38/1028324638.db2.gz VSTCKPGABVCIJZ-IAGOWNOFSA-N 1 0 363.502 2.792 20 5 FFBDRO COc1cnc(N2CCC([NH3+])(Cc3ccccc3F)CC2)c([N+](=O)[O-])c1 ZINC001161987790 1028384705 /nfs/dbraw/zinc/38/47/05/1028384705.db2.gz QYTKKTBSLNWFOF-UHFFFAOYSA-N 1 0 360.389 2.678 20 5 FFBDRO COc1cccc(C2(Nc3ncc([N+](=O)[O-])cc3[N+](=O)[O-])CC[NH2+]CC2)c1 ZINC001161995744 1028387723 /nfs/dbraw/zinc/38/77/23/1028387723.db2.gz NVDIEDJMZZWYGW-UHFFFAOYSA-N 1 0 373.369 2.597 20 5 FFBDRO COc1nc(N(CC[NH3+])c2cccc3ccccc32)nc(OC)c1[N+](=O)[O-] ZINC001154683556 1028405908 /nfs/dbraw/zinc/40/59/08/1028405908.db2.gz ORKHZZPSPLSWDA-UHFFFAOYSA-N 1 0 369.381 2.652 20 5 FFBDRO COc1cc2ncnc(NC[C@]3(CC4CC4)CCC[NH2+]3)c2cc1[N+](=O)[O-] ZINC001162350333 1028511932 /nfs/dbraw/zinc/51/19/32/1028511932.db2.gz CKHOJONEWRXOQZ-GOSISDBHSA-N 1 0 357.414 2.881 20 5 FFBDRO CC[N@@H+](Cc1ccccc1F)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000957713087 1028580955 /nfs/dbraw/zinc/58/09/55/1028580955.db2.gz LFGPZRXGMLXZEI-SJLPKXTDSA-N 1 0 363.433 2.551 20 5 FFBDRO CSc1nc(Cl)nc(N2C[C@H]([NH3+])Cc3ccccc32)c1[N+](=O)[O-] ZINC001155299405 1028664921 /nfs/dbraw/zinc/66/49/21/1028664921.db2.gz OAUQVFQFFUYRGM-SECBINFHSA-N 1 0 351.819 2.782 20 5 FFBDRO [NH3+]C[C@H](CO)c1ccc(Nc2ccc(-c3ccccc3[N+](=O)[O-])nn2)cc1 ZINC001163058643 1028780915 /nfs/dbraw/zinc/78/09/15/1028780915.db2.gz OIUIXBQQLIFBKB-CQSZACIVSA-N 1 0 365.393 2.830 20 5 FFBDRO C[C@@H](CN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000780763777 1028798424 /nfs/dbraw/zinc/79/84/24/1028798424.db2.gz OETHTRVLMBGZPI-YJBOKZPZSA-N 1 0 357.458 2.882 20 5 FFBDRO O=[N+]([O-])c1cc(NC[C@H]2OC[C@H]3C[NH2+]CC[C@H]32)ccc1OC(F)(F)F ZINC001163171749 1028830704 /nfs/dbraw/zinc/83/07/04/1028830704.db2.gz NWSGKTLNZLIEPG-GLXFQSAKSA-N 1 0 361.320 2.530 20 5 FFBDRO Cc1cc(NC[C@@H]2OC[C@H]3C[NH2+]CC[C@H]32)c([N+](=O)[O-])cc1Br ZINC001163175965 1028831684 /nfs/dbraw/zinc/83/16/84/1028831684.db2.gz KXZYHXIENORQQM-HFAKWTLXSA-N 1 0 370.247 2.702 20 5 FFBDRO O=C1C[C@H]2[NH2+]CC[C@]2(Nc2cnc3c4ccccc4c4ccccc4c3n2)N1 ZINC001163235925 1028850895 /nfs/dbraw/zinc/85/08/95/1028850895.db2.gz GXMCPXGWMBSSQU-VGSWGCGISA-N 1 0 369.428 2.926 20 5 FFBDRO O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CC[NH2+]C[C@@H]1c1cccs1 ZINC001156099537 1029047498 /nfs/dbraw/zinc/04/74/98/1029047498.db2.gz YNKCGPUZMGAUBA-SSDOTTSWSA-N 1 0 360.226 2.904 20 5 FFBDRO COC(=O)c1ncc([N+](=O)[O-])cc1-n1c(C)c(C)c2cc(C[NH3+])ccc21 ZINC001163762147 1029053838 /nfs/dbraw/zinc/05/38/38/1029053838.db2.gz ZUYQIEFQEQNTGD-UHFFFAOYSA-N 1 0 354.366 2.796 20 5 FFBDRO O=[N+]([O-])c1cc(NCc2cccnc2C2CC[NH2+]CC2)cn2ccnc12 ZINC001163911387 1029113768 /nfs/dbraw/zinc/11/37/68/1029113768.db2.gz BFZNXNGSWYTIFD-UHFFFAOYSA-N 1 0 352.398 2.717 20 5 FFBDRO Cc1cc(N2CCN(c3ncc([N+](=O)[O-])cc3N)CC2)c2ccccc2[nH+]1 ZINC001164203268 1029198759 /nfs/dbraw/zinc/19/87/59/1029198759.db2.gz PQUMONGTTGNARM-UHFFFAOYSA-N 1 0 364.409 2.755 20 5 FFBDRO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CCC[C@@](C)(C[NH3+])CC1 ZINC001164242430 1029214779 /nfs/dbraw/zinc/21/47/79/1029214779.db2.gz KQYWKEAJEQAMJY-MRXNPFEDSA-N 1 0 370.837 2.775 20 5 FFBDRO Cn1cc(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)cc([N+](=O)[O-])c1=O ZINC001164491801 1029296944 /nfs/dbraw/zinc/29/69/44/1029296944.db2.gz GKNLCTLIEWJBHX-KBAYOESNSA-N 1 0 368.437 2.616 20 5 FFBDRO CN(Cc1ccc(-n2ccnc2)cc1)c1cc([N+](=O)[O-])cc(Cl)[n+]1[O-] ZINC001156783180 1029343703 /nfs/dbraw/zinc/34/37/03/1029343703.db2.gz FYVVJIBOHLZIOI-UHFFFAOYSA-N 1 0 359.773 2.704 20 5 FFBDRO O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1N1C[C@H]2[C@@H](CC[N@@H+]2Cc2ccccc2)C1 ZINC001165089417 1029380146 /nfs/dbraw/zinc/38/01/46/1029380146.db2.gz UNOIPYHBRCXXLH-HOCLYGCPSA-N 1 0 374.828 2.592 20 5 FFBDRO [NH3+]Cc1nn(-c2ccc(-c3ccc(F)c([N+](=O)[O-])c3)nn2)c2ccccc12 ZINC001156865333 1029382202 /nfs/dbraw/zinc/38/22/02/1029382202.db2.gz VVFIHLOBUWUELO-UHFFFAOYSA-N 1 0 364.340 2.989 20 5 FFBDRO Cc1cc(N2C[C@H]3CCC[N@@H+](C)[C@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001157270521 1029530587 /nfs/dbraw/zinc/53/05/87/1029530587.db2.gz FQNLTHLAWWVORS-WBVHZDCISA-N 1 0 353.426 2.891 20 5 FFBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N2CCCC[C@]23CCC[NH2+]C3)n1 ZINC001157467579 1029592432 /nfs/dbraw/zinc/59/24/32/1029592432.db2.gz GJRAXBAZAGTJPV-CQSZACIVSA-N 1 0 357.867 2.873 20 5 FFBDRO CCC[NH+]1C[C@@H]2CN(c3cc([N+](=O)[O-])cc4c(Cl)ncnc43)C[C@H]2C1 ZINC001157698123 1029647430 /nfs/dbraw/zinc/64/74/30/1029647430.db2.gz CIILRQUKGZDCML-VXGBXAGGSA-N 1 0 361.833 2.969 20 5 FFBDRO [NH3+]CCc1nc(-c2ccccc2)nn1-c1nc2ccccc2cc1[N+](=O)[O-] ZINC001157896601 1029681635 /nfs/dbraw/zinc/68/16/35/1029681635.db2.gz HSJLSPIVPHWOEF-UHFFFAOYSA-N 1 0 360.377 2.892 20 5 FFBDRO COc1cccc(N(c2ncc([N+](=O)[O-])cc2Cl)C2CC[NH2+]CC2)n1 ZINC001158054912 1029721317 /nfs/dbraw/zinc/72/13/17/1029721317.db2.gz WQZAWIWFEGSROA-UHFFFAOYSA-N 1 0 363.805 2.937 20 5 FFBDRO Cc1c[nH+]ccc1N1CCN(c2nc(Cl)nc(Cl)c2[N+](=O)[O-])CC1 ZINC001158104235 1029733977 /nfs/dbraw/zinc/73/39/77/1029733977.db2.gz LCBMZSVJUKSPDV-UHFFFAOYSA-N 1 0 369.212 2.722 20 5 FFBDRO Cc1c[nH+]ccc1N1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC001158106717 1029735465 /nfs/dbraw/zinc/73/54/65/1029735465.db2.gz ZPLUDKDRMPGKSE-UHFFFAOYSA-N 1 0 350.382 2.568 20 5 FFBDRO COc1ccnc(N(c2ncc([N+](=O)[O-])c(C)c2C)C2CC[NH2+]CC2)c1 ZINC001158323210 1029798234 /nfs/dbraw/zinc/79/82/34/1029798234.db2.gz YFNYKLPCBSVVQS-UHFFFAOYSA-N 1 0 357.414 2.900 20 5 FFBDRO COc1cc(N(c2ccc3[nH]cc([N+](=O)[O-])c3n2)C2CC[NH2+]CC2)ccn1 ZINC001158331413 1029799930 /nfs/dbraw/zinc/79/99/30/1029799930.db2.gz QQXZEIGSYZUXRH-UHFFFAOYSA-N 1 0 368.397 2.765 20 5 FFBDRO C[NH+](C)CCc1ccccc1NC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000783852290 1030306665 /nfs/dbraw/zinc/30/66/65/1030306665.db2.gz PYQVIIYEJUFQQG-UHFFFAOYSA-N 1 0 371.422 2.956 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1COC3(CCOCC3)O1)CCCC2 ZINC000841754374 1030446455 /nfs/dbraw/zinc/44/64/55/1030446455.db2.gz QBBSHFQOJFRDLJ-AEFFLSMTSA-N 1 0 362.426 2.874 20 5 FFBDRO CCC[NH2+][C@H]1CCc2c(sc(=N)n2-c2cc([N+](=O)[O-])cc(Cl)n2)C1 ZINC001166870459 1030557078 /nfs/dbraw/zinc/55/70/78/1030557078.db2.gz DJWHKNROWNVQCT-VIFPVBQESA-N 1 0 367.862 2.832 20 5 FFBDRO CC(C)C[C@H]([NH3+])c1noc(-c2cc([N+](=O)[O-])ccc2N2CCOCC2)n1 ZINC000842587403 1030798636 /nfs/dbraw/zinc/79/86/36/1030798636.db2.gz DTAAEXKUHLFIGG-AWEZNQCLSA-N 1 0 361.402 2.527 20 5 FFBDRO Cc1nn(C[N@@H+](C)C[C@@]2(O)CCc3ccccc32)c2cc([N+](=O)[O-])ccc12 ZINC000842626738 1030849998 /nfs/dbraw/zinc/84/99/98/1030849998.db2.gz XPGYWLWZCZXPDY-FQEVSTJZSA-N 1 0 366.421 2.976 20 5 FFBDRO CC(C)NC(=O)OC[C@@H]1CCCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000796719262 1030894954 /nfs/dbraw/zinc/89/49/54/1030894954.db2.gz YMOGDEHYAHNBMT-IRXDYDNUSA-N 1 0 365.430 2.617 20 5 FFBDRO C[C@@]12CN(C(=O)c3cc([N+](=O)[O-])c[nH]3)C[C@@]1(C)C[NH+](Cc1ccccc1)C2 ZINC001150129262 1031664520 /nfs/dbraw/zinc/66/45/20/1031664520.db2.gz XIAIAYUQLPPADW-WOJBJXKFSA-N 1 0 368.437 2.907 20 5 FFBDRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000829791433 1033337137 /nfs/dbraw/zinc/33/71/37/1033337137.db2.gz DHZJYZRNKDJQFU-MDASCCDHSA-N 1 0 366.421 2.831 20 5 FFBDRO [NH3+][C@H](C(=O)Nc1cc2cccnc2c2ncccc12)C1CCC(O)CC1 ZINC001218979376 1033441476 /nfs/dbraw/zinc/44/14/76/1033441476.db2.gz FUERBJJOICVOEP-AJUCZRQESA-N 1 0 350.422 2.600 20 5 FFBDRO CN(CC(C)(C)C[NH+](C)C)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC001223993465 1033675885 /nfs/dbraw/zinc/67/58/85/1033675885.db2.gz QOPXENKMOVFLJX-UHFFFAOYSA-N 1 0 356.854 2.977 20 5 FFBDRO C[NH+](C)[C@@H]1CCOc2c(NC(=O)[C@@H](O)c3cccc([N+](=O)[O-])c3)cccc21 ZINC000831392734 1034062307 /nfs/dbraw/zinc/06/23/07/1034062307.db2.gz JLHKZUYPVWKXMV-SJORKVTESA-N 1 0 371.393 2.652 20 5 FFBDRO CO[C@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C12CCC2 ZINC000832208858 1034631720 /nfs/dbraw/zinc/63/17/20/1034631720.db2.gz DLDVAIHUFVGTLP-CVEARBPZSA-N 1 0 365.405 2.952 20 5 FFBDRO CC(C)(C)OC(=O)N1CC[N@@H+]2C[C@@H](Oc3cccc([N+](=O)[O-])c3)C[C@H]2C1 ZINC001226763741 1034826389 /nfs/dbraw/zinc/82/63/89/1034826389.db2.gz BCTKCNWJRJUWFZ-HOCLYGCPSA-N 1 0 363.414 2.667 20 5 FFBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc2cc(Br)ccc2c1 ZINC001226892840 1034876829 /nfs/dbraw/zinc/87/68/29/1034876829.db2.gz VBOBIRZCOKTDTJ-OAHLLOKOSA-N 1 0 367.263 2.965 20 5 FFBDRO Cc1ccc(OC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c([N+](=O)[O-])n1 ZINC001227221517 1034973677 /nfs/dbraw/zinc/97/36/77/1034973677.db2.gz AYYFUHBBGUIHEK-KRWDZBQOSA-N 1 0 357.410 2.968 20 5 FFBDRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001139628009 1035183753 /nfs/dbraw/zinc/18/37/53/1035183753.db2.gz KTHVJMSMIFABEU-CQSZACIVSA-N 1 0 356.426 2.887 20 5 FFBDRO CC(C)(O)C[NH+]1CCN(Cc2ccc3ccc4cccnc4c3n2)CC1 ZINC001232225571 1035505594 /nfs/dbraw/zinc/50/55/94/1035505594.db2.gz DUBSDPAELNVWAN-UHFFFAOYSA-N 1 0 350.466 2.672 20 5 FFBDRO O=[N+]([O-])c1ccc(O[C@H]2COCC[N@H+](Cc3ccccc3)C2)nc1Cl ZINC001228938428 1036417080 /nfs/dbraw/zinc/41/70/80/1036417080.db2.gz PGMYKRXTSJBTFE-CQSZACIVSA-N 1 0 363.801 2.923 20 5 FFBDRO COC(=O)c1ccc(O[C@@H]2CC[N@@H+]([C@@H](C)c3ccccn3)C2)cc1[N+](=O)[O-] ZINC001234056066 1036897395 /nfs/dbraw/zinc/89/73/95/1036897395.db2.gz CCMJTSUZQNKPCC-DZGCQCFKSA-N 1 0 371.393 2.991 20 5 FFBDRO C[C@@H](C[N+](C)(C)C)Oc1cc2c(nn1)CCCN2C(=O)OC(C)(C)C ZINC001229871524 1036950822 /nfs/dbraw/zinc/95/08/22/1036950822.db2.gz WCWIGBQEFOGWJT-ZDUSSCGKSA-N 1 0 351.471 2.638 20 5 FFBDRO CO[C@@H]1CC[N@H+](CCOc2cnc3ccc(=O)n4c5ccccc5c2c34)C1 ZINC001234710148 1037150654 /nfs/dbraw/zinc/15/06/54/1037150654.db2.gz GYAPQMDYEOACTF-CQSZACIVSA-N 1 0 363.417 2.538 20 5 FFBDRO COc1cc(O)cc2oc3cc(O)c(O[C@H](C)C[N+](C)(C)C)cc3c(=O)c12 ZINC001234802365 1037184731 /nfs/dbraw/zinc/18/47/31/1037184731.db2.gz XAIGALZMNKPCBP-LLVKDONJSA-O 1 0 374.413 2.840 20 5 FFBDRO COC(=O)c1c(O[C@@H](C)C[N+](C)(C)C)c2ccsc2n(C(C)C)c1=O ZINC001234889003 1037226024 /nfs/dbraw/zinc/22/60/24/1037226024.db2.gz FHBRWRAFTZFIFR-LBPRGKRZSA-N 1 0 367.491 2.904 20 5 FFBDRO O=[N+]([O-])c1cccc2ncnc(O[C@H]3CC[C@H]([NH+]4CCOCC4)CC3)c21 ZINC001231053142 1037451202 /nfs/dbraw/zinc/45/12/02/1037451202.db2.gz JPBFEISHNNPIQA-HDJSIYSDSA-N 1 0 358.398 2.560 20 5 FFBDRO COc1cc(N2CCC([NH2+]C[C@H]3CCCCN3C)CC2)ccc1[N+](=O)[O-] ZINC001256085427 1038370251 /nfs/dbraw/zinc/37/02/51/1038370251.db2.gz OMBBOLHKIKFICI-QGZVFWFLSA-N 1 0 362.474 2.646 20 5 FFBDRO COc1cc(N2CCC([NH2+][C@H](C)CN3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC001256085276 1038371164 /nfs/dbraw/zinc/37/11/64/1038371164.db2.gz MQHSTGFTTLAEGG-OAHLLOKOSA-N 1 0 362.474 2.646 20 5 FFBDRO COc1cc(N2CCC([NH2+]CCCC(C)(C)O)CC2)ccc1[N+](=O)[O-] ZINC001256090126 1038375614 /nfs/dbraw/zinc/37/56/14/1038375614.db2.gz MXLFPHSOPUKSJW-UHFFFAOYSA-N 1 0 351.447 2.713 20 5 FFBDRO COc1cc(N2CCC([N@@H+]3CC[C@@H]4COC[C@@H]4C3)CC2)ccc1[N+](=O)[O-] ZINC001256093776 1038378917 /nfs/dbraw/zinc/37/89/17/1038378917.db2.gz QPUCFKRHTTUJKT-CABCVRRESA-N 1 0 361.442 2.541 20 5 FFBDRO COc1cncc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])c(OC)c3)CC2)c1 ZINC001256101021 1038383619 /nfs/dbraw/zinc/38/36/19/1038383619.db2.gz KJCOTYLONRMWCY-UHFFFAOYSA-N 1 0 372.425 2.766 20 5 FFBDRO COc1cc(N2CCC([N@H+](CCCO)C(C)C)CC2)ccc1[N+](=O)[O-] ZINC001256099349 1038384569 /nfs/dbraw/zinc/38/45/69/1038384569.db2.gz ONUNWEUZUJQZSR-UHFFFAOYSA-N 1 0 351.447 2.665 20 5 FFBDRO COc1cc(N2CCC([N@@H+]3CC[C@H](N(C)C4CC4)C3)CC2)ccc1[N+](=O)[O-] ZINC001256101206 1038385099 /nfs/dbraw/zinc/38/50/99/1038385099.db2.gz CAIQRLPEQCLSQX-SFHVURJKSA-N 1 0 374.485 2.741 20 5 FFBDRO Cc1cc2nc3ccc(N(C)C)cc3nc2cc1NC[C@@]1(O)CCC[NH2+]C1 ZINC001245964171 1039167310 /nfs/dbraw/zinc/16/73/10/1039167310.db2.gz WTFIIVZOZYJAHG-OAQYLSRUSA-N 1 0 365.481 2.684 20 5 FFBDRO C[C@@H]1C[N@@H+](CCc2nnc(-c3cc(F)c(F)cc3[N+](=O)[O-])o2)C[C@H](C)O1 ZINC001258136613 1039216109 /nfs/dbraw/zinc/21/61/09/1039216109.db2.gz CBNYXXVSYIIBFN-AOOOYVTPSA-N 1 0 368.340 2.575 20 5 FFBDRO Cc1nccn1-c1cc[nH+]cc1NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC001251850518 1039324131 /nfs/dbraw/zinc/32/41/31/1039324131.db2.gz LUEJJVAXQZOGPV-UHFFFAOYSA-N 1 0 352.354 2.535 20 5 FFBDRO C[Si](C)(C)CCOC[NH2+][C@@H]1CCCN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001246898295 1039525389 /nfs/dbraw/zinc/52/53/89/1039525389.db2.gz YIVGWNOLHRKMLZ-BRWVUGGUSA-N 1 0 357.571 2.798 20 5 FFBDRO COC(=O)[C@H](O)CNc1cc2[nH+]c3cc(N(C)C)ccc3cc2cc1C ZINC001252433377 1039536953 /nfs/dbraw/zinc/53/69/53/1039536953.db2.gz LWFSGYBJKMMRBQ-LJQANCHMSA-N 1 0 353.422 2.708 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CC[NH2+]C[C@@H]2C(F)(F)F)c1F ZINC001246993454 1039567047 /nfs/dbraw/zinc/56/70/47/1039567047.db2.gz TWKCBTMPBISCID-TVQRCGJNSA-N 1 0 365.327 2.510 20 5 FFBDRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)Nc1ccc([N+](=O)[O-])c2ccccc12 ZINC001210683433 1039668748 /nfs/dbraw/zinc/66/87/48/1039668748.db2.gz UCIFTXSDARGSGU-AWEZNQCLSA-N 1 0 372.425 2.716 20 5 FFBDRO CC(C)c1nc(CC[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)no1 ZINC001254464511 1040733886 /nfs/dbraw/zinc/73/38/86/1040733886.db2.gz GQFFVGQEWBGJJW-UHFFFAOYSA-N 1 0 359.430 2.902 20 5 FFBDRO COc1ccc([C@@H](CO)[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC001254468658 1040735668 /nfs/dbraw/zinc/73/56/68/1040735668.db2.gz PNYPPUZIDYPKSE-HXUWFJFHSA-N 1 0 371.437 2.895 20 5 FFBDRO COc1ccc(CC[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC001254467391 1040736091 /nfs/dbraw/zinc/73/60/91/1040736091.db2.gz BIVUNRDUYRDWAU-UHFFFAOYSA-N 1 0 356.426 2.800 20 5 FFBDRO COc1cc(C)[nH]c(=O)c1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254470957 1040737604 /nfs/dbraw/zinc/73/76/04/1040737604.db2.gz YCHZIXCASHDMIO-UHFFFAOYSA-N 1 0 372.425 2.771 20 5 FFBDRO O=C1NCCC2(CC[NH+](C3CCN(c4ccc([N+](=O)[O-])cc4)CC3)CC2)O1 ZINC001254480143 1040748023 /nfs/dbraw/zinc/74/80/23/1040748023.db2.gz BDIWGHHSWFAHOO-UHFFFAOYSA-N 1 0 374.441 2.528 20 5 FFBDRO Cc1nccc(N([C@@H](C)Cc2ccccc2[N+](=O)[O-])C2CC[NH2+]CC2)n1 ZINC001254569058 1040805182 /nfs/dbraw/zinc/80/51/82/1040805182.db2.gz HKFVWBNEFZVCON-AWEZNQCLSA-N 1 0 355.442 2.883 20 5 FFBDRO O=C(c1ccco1)N1CCC([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254573974 1040810514 /nfs/dbraw/zinc/81/05/14/1040810514.db2.gz FDCSTWKKBNGVTI-INIZCTEOSA-N 1 0 355.394 2.549 20 5 FFBDRO O=C(c1ccco1)N1CCC([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254573977 1040810519 /nfs/dbraw/zinc/81/05/19/1040810519.db2.gz FDCSTWKKBNGVTI-MRXNPFEDSA-N 1 0 355.394 2.549 20 5 FFBDRO CCOC(=O)C[C@@H]([NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1cccnc1 ZINC001254578080 1040812316 /nfs/dbraw/zinc/81/23/16/1040812316.db2.gz IZJRBBWVNVCZAH-FUHWJXTLSA-N 1 0 355.394 2.741 20 5 FFBDRO COC(=O)C[C@H]([NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1ccc(O)cc1 ZINC001254580856 1040813823 /nfs/dbraw/zinc/81/38/23/1040813823.db2.gz HKXUFMMWUHZLPB-QAPCUYQASA-N 1 0 356.378 2.662 20 5 FFBDRO O=C1Nc2cc(Cl)ccc2C[C@H]1[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254581572 1040815001 /nfs/dbraw/zinc/81/50/01/1040815001.db2.gz OLLMVZPBJJOFHI-RHSMWYFYSA-N 1 0 357.797 2.868 20 5 FFBDRO [NH3+][C@H](CO)Cc1cn([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)c2ccccc12 ZINC001254585835 1040818063 /nfs/dbraw/zinc/81/80/63/1040818063.db2.gz XPCRHSOARBDQLW-FUHWJXTLSA-N 1 0 351.406 2.752 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]CC1(c3ccccn3)CCOCC1)C2 ZINC001254585861 1040818511 /nfs/dbraw/zinc/81/85/11/1040818511.db2.gz HDJGQDIZGBXYHF-KRWDZBQOSA-N 1 0 353.422 2.795 20 5 FFBDRO COC(=O)c1ccc2c(c1)CC[N@H+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254594431 1040821445 /nfs/dbraw/zinc/82/14/45/1040821445.db2.gz QWBIMSMIGAYEMJ-IBGZPJMESA-N 1 0 352.390 2.907 20 5 FFBDRO CC(C)(C)OC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@H]21 ZINC001254595675 1040825991 /nfs/dbraw/zinc/82/59/91/1040825991.db2.gz XXSSWIDLHLTGIE-NCOADZHNSA-N 1 0 359.426 2.517 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H](n1nc(C(F)(F)F)c3c1CC[NH2+]C3)C2 ZINC001254608084 1040836846 /nfs/dbraw/zinc/83/68/46/1040836846.db2.gz OZTJSENNNHEZLM-LBPRGKRZSA-N 1 0 352.316 2.796 20 5 FFBDRO O=C1N(CC2CC2)CCC12CC[NH+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)CC2 ZINC001254610066 1040837486 /nfs/dbraw/zinc/83/74/86/1040837486.db2.gz HSTFKOZZKLTPMU-IBGZPJMESA-N 1 0 369.465 2.787 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H](N(c1ncccc1F)C1CC[NH2+]CC1)C2 ZINC001254610539 1040838600 /nfs/dbraw/zinc/83/86/00/1040838600.db2.gz KOXZCBJTOSJADA-KRWDZBQOSA-N 1 0 356.401 2.855 20 5 FFBDRO COc1ccc(O[C@@H]2CC[N@@H+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)nc1 ZINC001254612161 1040842103 /nfs/dbraw/zinc/84/21/03/1040842103.db2.gz VOQVWGVIPOALTC-FUHWJXTLSA-N 1 0 355.394 2.619 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(C)cc1-c1noc(-c2c[nH]nc2[C@@H]2CC[NH2+]C2)n1 ZINC001261661596 1041357404 /nfs/dbraw/zinc/35/74/04/1041357404.db2.gz WFWKKWZXQAHBOB-LLVKDONJSA-N 1 0 354.370 2.729 20 5 FFBDRO O=C(NC[C@H]1C[NH2+]CCC1(F)F)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001262100691 1041557887 /nfs/dbraw/zinc/55/78/87/1041557887.db2.gz XPQLUHJNIFITCQ-CYBMUJFWSA-N 1 0 368.384 2.514 20 5 FFBDRO C[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(NC(N)=O)cc1 ZINC001262557849 1041718514 /nfs/dbraw/zinc/71/85/14/1041718514.db2.gz NVHBWAZFTFTMKM-LBPRGKRZSA-N 1 0 371.397 2.765 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@@H](O)c2ccc(C(F)(F)F)cc2)cc1 ZINC001262596061 1041743768 /nfs/dbraw/zinc/74/37/68/1041743768.db2.gz QSLRMMPXFCBLNJ-CVEARBPZSA-N 1 0 370.327 2.970 20 5 FFBDRO CCOc1ccc(C(=O)N2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)cc1[N+](=O)[O-] ZINC001262808399 1041870019 /nfs/dbraw/zinc/87/00/19/1041870019.db2.gz BCULIQYXQCMNBS-HRCADAONSA-N 1 0 361.442 2.796 20 5 FFBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)C[C@@H]3CC[C@@H]4C[C@@H]43)c2)CC1 ZINC001262812047 1041872230 /nfs/dbraw/zinc/87/22/30/1041872230.db2.gz JECAZAFYKNMOFU-YCPHGPKFSA-N 1 0 358.442 2.721 20 5 FFBDRO CN(CCc1ccccc1[N+](=O)[O-])c1nnc([C@@H]2CCCCN2C)n1C ZINC001262904115 1041948120 /nfs/dbraw/zinc/94/81/20/1041948120.db2.gz HLLDDVJXLDXEPJ-INIZCTEOSA-N 1 0 358.446 2.559 20 5 FFBDRO O=C(CCc1cc(F)ccc1[N+](=O)[O-])N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001263108795 1042107975 /nfs/dbraw/zinc/10/79/75/1042107975.db2.gz HIEMSCRKCZUQSP-HOTGVXAUSA-N 1 0 363.433 2.905 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(C(N)=O)ccc2C[NH+](C)C)c1C ZINC001265436145 1042860433 /nfs/dbraw/zinc/86/04/33/1042860433.db2.gz HPCIVKPASCRIPE-UHFFFAOYSA-N 1 0 370.409 2.624 20 5 FFBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001318839155 1044904570 /nfs/dbraw/zinc/90/45/70/1044904570.db2.gz UVUHAEKOLNFHOV-ZNMIVQPWSA-N 1 0 360.458 2.986 20 5 FFBDRO Cc1cc(N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001319503944 1045176515 /nfs/dbraw/zinc/17/65/15/1045176515.db2.gz BAMCOCMZSBXSQV-SJCJKPOMSA-N 1 0 353.426 2.677 20 5 FFBDRO C[N@@H+]1CC[C@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(F)cc1 ZINC001319574569 1045201039 /nfs/dbraw/zinc/20/10/39/1045201039.db2.gz ZUYHLWHXKXHYIN-ZWKOTPCHSA-N 1 0 372.400 2.979 20 5 FFBDRO O=C(CCCC[NH+]1CCCC1)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001318302533 1045267467 /nfs/dbraw/zinc/26/74/67/1045267467.db2.gz OWXYTIRIGMXGJG-UHFFFAOYSA-N 1 0 374.485 2.505 20 5 FFBDRO COC[C@@H](CCO)[NH2+]Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001319951797 1045311131 /nfs/dbraw/zinc/31/11/31/1045311131.db2.gz RKEOVUMHJDQMPG-GFCCVEGCSA-N 1 0 354.790 2.995 20 5 FFBDRO CC[N@@H+]1CCC[C@H](CNC(=O)c2cccc([N+](=O)[O-])c2Br)C1 ZINC001320760966 1045462331 /nfs/dbraw/zinc/46/23/31/1045462331.db2.gz NBQXYEOIGYKCMR-LLVKDONJSA-N 1 0 370.247 2.819 20 5 FFBDRO CS[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)C[C@@H]1[NH+](C)C ZINC001321061000 1045527750 /nfs/dbraw/zinc/52/77/50/1045527750.db2.gz TWAHAJPIBBPWIF-QWHCGFSZSA-N 1 0 358.851 2.758 20 5 FFBDRO COc1ccc(C[C@@H](C)[N@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC001322221607 1046001915 /nfs/dbraw/zinc/00/19/15/1046001915.db2.gz HJAFDULSYLSOLF-QAPCUYQASA-N 1 0 374.437 2.906 20 5 FFBDRO COC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC001324489318 1046060965 /nfs/dbraw/zinc/06/09/65/1046060965.db2.gz GUBUNDCRMIEGSP-GHMZBOCLSA-N 1 0 374.340 2.636 20 5 FFBDRO CC1(C)[C@H]([NH2+]CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])[C@H]2CCCO[C@@H]21 ZINC001324732946 1046194251 /nfs/dbraw/zinc/19/42/51/1046194251.db2.gz DMYPBBJJVVEXEX-LYRGGWFBSA-N 1 0 367.833 2.980 20 5 FFBDRO C[C@H](C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CN(C)C(=O)OC(C)(C)C ZINC001325872189 1046669382 /nfs/dbraw/zinc/66/93/82/1046669382.db2.gz UCOAYQHRKDYLGT-CZUORRHYSA-N 1 0 367.446 2.721 20 5 FFBDRO C[NH+](C)CCc1cccc(C(=O)NCCNc2ccccc2[N+](=O)[O-])c1 ZINC001540507147 1070911028 /nfs/dbraw/zinc/91/10/28/1070911028.db2.gz ALYBVXPAHLEXOQ-UHFFFAOYSA-N 1 0 356.426 2.541 20 5 FFBDRO CC(C)(C)[NH2+]CC(=O)N[C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC001327361733 1047865802 /nfs/dbraw/zinc/86/58/02/1047865802.db2.gz UWBUCEWJRXACFU-GFCCVEGCSA-N 1 0 351.300 2.842 20 5 FFBDRO COC1CC[NH+](CCNc2ncnc3c(Cl)cc([N+](=O)[O-])cc23)CC1 ZINC001327660640 1047987513 /nfs/dbraw/zinc/98/75/13/1047987513.db2.gz SSIYBXYKCGJFAB-UHFFFAOYSA-N 1 0 365.821 2.714 20 5 FFBDRO CC(C)N(CC[N@H+](C)Cc1cc2ccccc2o1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001332707590 1048518035 /nfs/dbraw/zinc/51/80/35/1048518035.db2.gz NLOQJIHSSLJFOT-IAGOWNOFSA-N 1 0 359.426 2.767 20 5 FFBDRO CC(C)n1ncc2c1[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])CCC2 ZINC001329139601 1048593069 /nfs/dbraw/zinc/59/30/69/1048593069.db2.gz AYJBHBLXOHHRFQ-JKSUJKDBSA-N 1 0 374.441 2.779 20 5 FFBDRO CCOc1cc(NC(=O)NC[C@H]2CCC[N@H+](CC)C2)ccc1[N+](=O)[O-] ZINC001333506553 1048948376 /nfs/dbraw/zinc/94/83/76/1048948376.db2.gz HHNBXZVUJHKYOK-CYBMUJFWSA-N 1 0 350.419 2.847 20 5 FFBDRO CC[NH+](CC)C1CCN(CN2CC[C@@H](c3ccc([N+](=O)[O-])cc3)C2=O)CC1 ZINC001329939920 1048976891 /nfs/dbraw/zinc/97/68/91/1048976891.db2.gz JKIXNGILFNOMMP-IBGZPJMESA-N 1 0 374.485 2.674 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@H]2CN(c3ccc(C(=O)NC4CC4)cc3[N+](=O)[O-])C[C@H]2C1 ZINC001333824742 1049132858 /nfs/dbraw/zinc/13/28/58/1049132858.db2.gz BXDLGVPDNCOHQQ-ZMSDIMECSA-N 1 0 372.469 2.654 20 5 FFBDRO Cc1nc([N+](=O)[O-])cn1CCc1nnc([C@@H](C)C[NH+]2CCC(C)CC2)o1 ZINC001341582439 1050208824 /nfs/dbraw/zinc/20/88/24/1050208824.db2.gz UQXDGHIIVJPZBQ-ZDUSSCGKSA-N 1 0 362.434 2.561 20 5 FFBDRO O=C([C@@H]1CC[NH2+][C@H]([C@@H]2CCCO2)C1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001340321380 1050720172 /nfs/dbraw/zinc/72/01/72/1050720172.db2.gz XGNJSBIFESTHSK-LJHODMEESA-N 1 0 373.453 2.633 20 5 FFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@@H]1CSCC[NH2+]1 ZINC001340525593 1050917435 /nfs/dbraw/zinc/91/74/35/1050917435.db2.gz JDFOURNWRQVYIE-LLVKDONJSA-N 1 0 355.485 2.532 20 5 FFBDRO Cc1c(CC(=O)N2C[C@H](C[NH3+])Cc3cc(F)ccc32)cccc1[N+](=O)[O-] ZINC001341004530 1051341227 /nfs/dbraw/zinc/34/12/27/1051341227.db2.gz HQNMZXOSILWGET-ZDUSSCGKSA-N 1 0 357.385 2.749 20 5 FFBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@]2(C1)CCCC[NH2+]2 ZINC001342726857 1051344006 /nfs/dbraw/zinc/34/40/06/1051344006.db2.gz HSSBDNPPFCMFNM-KRWDZBQOSA-N 1 0 367.833 2.762 20 5 FFBDRO C[C@@H]1[C@H](NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC001303800972 1051450606 /nfs/dbraw/zinc/45/06/06/1051450606.db2.gz KHPOSVGFDNCRIL-GDBMZVCRSA-N 1 0 360.458 2.654 20 5 FFBDRO C[C@@H](c1nnc(N(C)C[C@@H]2CCCC[N@@H+]2Cc2ccccc2)n1C)[N+](=O)[O-] ZINC001341360215 1051718841 /nfs/dbraw/zinc/71/88/41/1051718841.db2.gz OLBRMCXTUFOWKT-RDJZCZTQSA-N 1 0 372.473 2.644 20 5 FFBDRO Cc1c(Br)c(NC[C@H]2C[NH+]3CCC2CC3)ncc1[N+](=O)[O-] ZINC001307230632 1052273142 /nfs/dbraw/zinc/27/31/42/1052273142.db2.gz TXZGTMDYFNRSJP-NSHDSACASA-N 1 0 355.236 2.814 20 5 FFBDRO COc1cccc(C[C@@H]2CN(c3ncc([N+](=O)[O-])cc3Cl)CC[NH2+]2)c1 ZINC001307236274 1052273856 /nfs/dbraw/zinc/27/38/56/1052273856.db2.gz IEEJDWNECDEPGC-CYBMUJFWSA-N 1 0 362.817 2.673 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)C[C@H]2C1 ZINC001345238083 1052336414 /nfs/dbraw/zinc/33/64/14/1052336414.db2.gz ZGQRJGYQJWLLOY-BFHYXJOUSA-N 1 0 356.426 2.878 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(Cc2nc([C@@H]3C[C@H]3C)no2)CC1 ZINC001307907542 1052365577 /nfs/dbraw/zinc/36/55/77/1052365577.db2.gz LNODCXIUDUUNCR-IUODEOHRSA-N 1 0 374.445 2.561 20 5 FFBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCc2[nH+]ccc(N)c2C1 ZINC001308017077 1052384334 /nfs/dbraw/zinc/38/43/34/1052384334.db2.gz RLKXQUBCVGEGSZ-NSHDSACASA-N 1 0 366.381 2.741 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CC[C@H](O)[C@H]4CCCC[C@H]43)n2)cc1 ZINC001308025787 1052386403 /nfs/dbraw/zinc/38/64/03/1052386403.db2.gz RDBQAIUMVZKSNR-XHSDSOJGSA-N 1 0 358.398 2.770 20 5 FFBDRO CC[C@@H]1CCC[C@@H]([NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001308265053 1052439788 /nfs/dbraw/zinc/43/97/88/1052439788.db2.gz XEJSLYVNJRQELZ-HUUCEWRRSA-N 1 0 369.487 2.822 20 5 FFBDRO COC(=O)C1(C[NH2+]Cc2ccc(O)c(OC)c2[N+](=O)[O-])CCCCC1 ZINC001308681516 1052485951 /nfs/dbraw/zinc/48/59/51/1052485951.db2.gz CQXNLDANUBKSPL-UHFFFAOYSA-N 1 0 352.387 2.522 20 5 FFBDRO CC(C)n1cc2c(n1)[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)CCC2 ZINC001345632004 1052547737 /nfs/dbraw/zinc/54/77/37/1052547737.db2.gz DOOAGMJEPQEGDD-FUHWJXTLSA-N 1 0 374.441 2.779 20 5 FFBDRO C[C@@H](CNC(=O)N1CCCC2(CC[NH2+]CC2)C1)c1ccccc1[N+](=O)[O-] ZINC001336255917 1053872414 /nfs/dbraw/zinc/87/24/14/1053872414.db2.gz NIVAXEOGBAHKIG-HNNXBMFYSA-N 1 0 360.458 2.874 20 5 FFBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC001337121240 1054495918 /nfs/dbraw/zinc/49/59/18/1054495918.db2.gz CRKFYKIJOLKENG-LJQANCHMSA-N 1 0 360.458 2.779 20 5 FFBDRO O=[N+]([O-])c1cnc(N2CCC([NH2+]C3CCOCC3)CC2)c(C(F)(F)F)c1 ZINC001348312708 1054625006 /nfs/dbraw/zinc/62/50/06/1054625006.db2.gz UYZHWPJIJQRDII-UHFFFAOYSA-N 1 0 374.363 2.746 20 5 FFBDRO C[C@H]1CN(c2ncc([N+](=O)[O-])c3ccccc32)CC[C@H]1[NH+]1CCN(C)CC1 ZINC001337387050 1054709261 /nfs/dbraw/zinc/70/92/61/1054709261.db2.gz HPRGDVOPSADTJH-MAUKXSAKSA-N 1 0 369.469 2.605 20 5 FFBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCC12CCC[NH+](CCC1)C2 ZINC001348898790 1054989212 /nfs/dbraw/zinc/98/92/12/1054989212.db2.gz HDXRLSVWAJJLDN-UHFFFAOYSA-N 1 0 356.426 2.611 20 5 FFBDRO C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001338334987 1055427260 /nfs/dbraw/zinc/42/72/60/1055427260.db2.gz IBSBOSJDODELGJ-OEAJRASXSA-N 1 0 358.442 2.577 20 5 FFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@@H](O)c2ccc(C(F)(F)F)cc2)c1 ZINC001356569835 1055588436 /nfs/dbraw/zinc/58/84/36/1055588436.db2.gz QAZIWKZWVOWPBQ-CVEARBPZSA-N 1 0 370.327 2.970 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@@](O)(c2ccccc2)C(F)(F)F)cc1 ZINC001356586690 1055597625 /nfs/dbraw/zinc/59/76/25/1055597625.db2.gz VWPZGMIANISAOH-HZPDHXFCSA-N 1 0 370.327 2.668 20 5 FFBDRO COc1ccc(NC(=O)NC[C@@H](C)C[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC001350142225 1055646400 /nfs/dbraw/zinc/64/64/00/1055646400.db2.gz CIHXPINVADKMGF-CYBMUJFWSA-N 1 0 350.419 2.847 20 5 FFBDRO CC(=O)Nc1cccc(NC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)c1 ZINC001350315728 1055720241 /nfs/dbraw/zinc/72/02/41/1055720241.db2.gz FXNNRXOHXMVKMQ-UHFFFAOYSA-N 1 0 365.349 2.991 20 5 FFBDRO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC001357659814 1055976347 /nfs/dbraw/zinc/97/63/47/1055976347.db2.gz JJWONGOFWXWLPR-LBPRGKRZSA-N 1 0 351.834 2.972 20 5 FFBDRO CC1(C)CN(C(=O)c2cc(F)cc3c2[nH]c2ccc(F)cc2c3=O)C[C@@H]1[NH3+] ZINC001358131344 1056155844 /nfs/dbraw/zinc/15/58/44/1056155844.db2.gz RIEQUCNKSHFFDG-INIZCTEOSA-N 1 0 371.387 2.769 20 5 FFBDRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)c2c(F)cccc2[N+](=O)[O-])cc1 ZINC001358398911 1056294367 /nfs/dbraw/zinc/29/43/67/1056294367.db2.gz RCFJARURNNHNIY-UHFFFAOYSA-N 1 0 374.372 2.876 20 5 FFBDRO Cc1ccc([C@H](C)NC(=O)[C@@H]2CC[NH2+][C@H]([C@@H]3CCCO3)C2)cc1[N+](=O)[O-] ZINC001353418925 1056385105 /nfs/dbraw/zinc/38/51/05/1056385105.db2.gz HMILFAYHKGYFST-DNMXQMFDSA-N 1 0 361.442 2.628 20 5 FFBDRO C[C@@H]1C[C@@H](NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])CC[N@@H+]1C ZINC001545105636 1071733657 /nfs/dbraw/zinc/73/36/57/1071733657.db2.gz MSGPALLXPWJZKR-HIFRSBDPSA-N 1 0 354.410 2.869 20 5 FFBDRO C[NH+](C)C1(CNCc2c(Br)cccc2[N+](=O)[O-])CCOCC1 ZINC001200591117 1058715934 /nfs/dbraw/zinc/71/59/34/1058715934.db2.gz UPVJSLUGOXUOML-UHFFFAOYSA-N 1 0 372.263 2.558 20 5 FFBDRO C[NH+](C)CC[C@H]1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC001455640068 1059847201 /nfs/dbraw/zinc/84/72/01/1059847201.db2.gz MMRZWAMPXYGLKX-NSHDSACASA-N 1 0 370.247 2.771 20 5 FFBDRO C[N@@H+]1CCC[C@H]2CN(Cn3cc(-c4ccccc4[N+](=O)[O-])cn3)CC[C@@H]21 ZINC000848483120 1060121506 /nfs/dbraw/zinc/12/15/06/1060121506.db2.gz YOPUFPMYXUHPKC-YJBOKZPZSA-N 1 0 355.442 2.832 20 5 FFBDRO Nc1cc(CCCCNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)cc[nH+]1 ZINC001457441842 1060385080 /nfs/dbraw/zinc/38/50/80/1060385080.db2.gz VKPVZHPCGULNCO-UHFFFAOYSA-N 1 0 353.382 2.806 20 5 FFBDRO C[C@@H]1[C@H](Nc2c3ccc(Br)cc3ncc2[N+](=O)[O-])CC[N@@H+]1C ZINC001458615557 1060634373 /nfs/dbraw/zinc/63/43/73/1060634373.db2.gz RWBAJUOLWPVNOH-BXKDBHETSA-N 1 0 365.231 2.832 20 5 FFBDRO Cc1c(CO)cc([N+](=O)[O-])c(N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000848783912 1060689658 /nfs/dbraw/zinc/68/96/58/1060689658.db2.gz GKAJAKWLSTVLHX-KBPBESRZSA-N 1 0 364.402 2.733 20 5 FFBDRO C[C@](O)(C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1)c1ccc(F)cc1 ZINC001459316048 1060745749 /nfs/dbraw/zinc/74/57/49/1060745749.db2.gz XDOXDJJCHKDONC-IBGZPJMESA-N 1 0 359.401 2.764 20 5 FFBDRO COc1ccc(C[C@@H]2CC[N@@H+]2C[C@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC001459656058 1060788346 /nfs/dbraw/zinc/78/83/46/1060788346.db2.gz OTECNLBVYGBCKH-IRXDYDNUSA-N 1 0 372.421 2.660 20 5 FFBDRO O=[N+]([O-])c1cccc2ncnc(NCC3([NH+]4CCOCC4)CCCCC3)c21 ZINC000541591583 1060911377 /nfs/dbraw/zinc/91/13/77/1060911377.db2.gz OLKIWGXVMYQEGF-UHFFFAOYSA-N 1 0 371.441 2.985 20 5 FFBDRO CCc1nnc(N(C)Cc2ccccc2[N+](=O)[O-])n1C[C@H]1CC[N@@H+](CC)C1 ZINC001546421461 1061119584 /nfs/dbraw/zinc/11/95/84/1061119584.db2.gz GQOVFKFOXIWXBA-HNNXBMFYSA-N 1 0 372.473 2.727 20 5 FFBDRO O=C(CC[N@@H+]1CCc2cc(O)ccc2C1)Nc1cc([N+](=O)[O-])ccc1F ZINC001460977521 1061175529 /nfs/dbraw/zinc/17/55/29/1061175529.db2.gz OSFRAOXLWVMMGD-UHFFFAOYSA-N 1 0 359.357 2.826 20 5 FFBDRO O=C([C@@H]1CC[NH2+][C@H]([C@H]2CCCO2)C1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001521864811 1061178275 /nfs/dbraw/zinc/17/82/75/1061178275.db2.gz PLRCVCZMVSWXIP-AYOQOUSVSA-N 1 0 373.453 2.633 20 5 FFBDRO Cc1c(C[NH2+]C[C@H](O)COc2ccc(F)c(F)c2)cccc1[N+](=O)[O-] ZINC001461167747 1061234038 /nfs/dbraw/zinc/23/40/38/1061234038.db2.gz SSIJXTYNQPXKHX-ZDUSSCGKSA-N 1 0 352.337 2.711 20 5 FFBDRO C[C@@H](NCc1ccc(Cl)c(S(N)(=O)=O)c1)c1ccccc1[N+](=O)[O-] ZINC001461730620 1061390498 /nfs/dbraw/zinc/39/04/98/1061390498.db2.gz NOVLTERBZBYTON-SNVBAGLBSA-N 1 0 369.830 2.746 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCc1cc(N(C)C)cc[nH+]1 ZINC001476511968 1061423835 /nfs/dbraw/zinc/42/38/35/1061423835.db2.gz FPYLUHHCAJTPAA-UHFFFAOYSA-N 1 0 359.386 2.776 20 5 FFBDRO C[NH+](C)C1(CNC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)Cc2ccccc2C1 ZINC001476661824 1061452949 /nfs/dbraw/zinc/45/29/49/1061452949.db2.gz SIHDCRBBRRZHQM-UHFFFAOYSA-N 1 0 372.400 2.955 20 5 FFBDRO CCOc1cc(NC(=O)N[C@@H]2CCCC[C@H]2[NH+](C)C)ccc1[N+](=O)[O-] ZINC001476815302 1061485887 /nfs/dbraw/zinc/48/58/87/1061485887.db2.gz GHNGLNNTGKOLPL-ZIAGYGMSSA-N 1 0 350.419 2.988 20 5 FFBDRO [NH3+]CCN(Cc1c(F)cncc1Br)c1ccccc1[N+](=O)[O-] ZINC001462208097 1061537094 /nfs/dbraw/zinc/53/70/94/1061537094.db2.gz VJEVUEOIRGFGCP-UHFFFAOYSA-N 1 0 369.194 2.857 20 5 FFBDRO COC(=O)[C@H](C[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)CC(C)C ZINC001462298866 1061575412 /nfs/dbraw/zinc/57/54/12/1061575412.db2.gz TYJANVXZSHMOOV-KGLIPLIRSA-N 1 0 365.430 2.737 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)c1 ZINC001462935809 1061854504 /nfs/dbraw/zinc/85/45/04/1061854504.db2.gz JOWNRZOIYYPQHN-CQSZACIVSA-N 1 0 369.487 2.610 20 5 FFBDRO O=C(CCc1cc(F)ccc1[N+](=O)[O-])Nc1ccn(-c2cc[nH+]cc2)n1 ZINC001360383805 1061942339 /nfs/dbraw/zinc/94/23/39/1061942339.db2.gz FGHVRWVAQIWVIN-UHFFFAOYSA-N 1 0 355.329 2.886 20 5 FFBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CCC(c3cncn3C)CC2)cc1[N+](=O)[O-] ZINC001463440895 1062105482 /nfs/dbraw/zinc/10/54/82/1062105482.db2.gz ZGHRVBDCCRWKLN-UHFFFAOYSA-N 1 0 373.369 2.565 20 5 FFBDRO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CCc3ccc([N+](=O)[O-])cc3Cl)[C@H]2C1 ZINC001522551307 1062210158 /nfs/dbraw/zinc/21/01/58/1062210158.db2.gz PHWQDWQERHOZRK-DUVNUKRYSA-N 1 0 351.834 2.637 20 5 FFBDRO [NH3+][C@@H]1CN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CC[C@@H]1C(F)(F)F ZINC001522666955 1062247889 /nfs/dbraw/zinc/24/78/89/1062247889.db2.gz LAWCAOABIQNXRS-WCBMZHEXSA-N 1 0 351.712 2.600 20 5 FFBDRO C[C@@H]1CC[N@H+](CCNC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC001479476663 1062451631 /nfs/dbraw/zinc/45/16/31/1062451631.db2.gz NAPCDZOZGWIFTF-NVXWUHKLSA-N 1 0 360.458 2.826 20 5 FFBDRO [NH3+]C[C@@]12CC[C@@H]1CCN2C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC001523557856 1062517486 /nfs/dbraw/zinc/51/74/86/1062517486.db2.gz JOXGPDBCPWWUPQ-BMIGLBTASA-N 1 0 355.847 2.680 20 5 FFBDRO Cc1ccc(NCCCNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)c([N+](=O)[O-])c1 ZINC001465291124 1063040618 /nfs/dbraw/zinc/04/06/18/1063040618.db2.gz JZANQTJUSQSLCT-KRWDZBQOSA-N 1 0 362.474 2.942 20 5 FFBDRO CCc1ccc(C(=O)N2CCN(c3cc[nH+]cc3)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC001533737994 1063387563 /nfs/dbraw/zinc/38/75/63/1063387563.db2.gz DOVYPCWGYGGNBH-AWEZNQCLSA-N 1 0 354.410 2.903 20 5 FFBDRO C[NH+](C)CC[C@@H](NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)c1cccnc1 ZINC001471974241 1064875984 /nfs/dbraw/zinc/87/59/84/1064875984.db2.gz ZUSODBYVKNBCCD-OAHLLOKOSA-N 1 0 367.409 2.894 20 5 FFBDRO CC(C)CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC(F)(F)C[NH3+] ZINC001575590948 1078155585 /nfs/dbraw/zinc/15/55/85/1078155585.db2.gz ATVLIEOXLLQNLC-UHFFFAOYSA-N 1 0 368.388 2.540 20 5 FFBDRO C[NH+]1CCC(C)(CNc2c3cc([N+](=O)[O-])ccc3ncc2[N+](=O)[O-])CC1 ZINC001472739036 1065138090 /nfs/dbraw/zinc/13/80/90/1065138090.db2.gz NTITTXMVCBSAAN-UHFFFAOYSA-N 1 0 359.386 2.617 20 5 FFBDRO CCOC(=O)CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C(C)C ZINC001473593455 1065294048 /nfs/dbraw/zinc/29/40/48/1065294048.db2.gz XHUUHOORKCNIAN-UHFFFAOYSA-N 1 0 369.393 2.726 20 5 FFBDRO CC[N@H+](C)[C@@H]1CCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC001473906609 1065416460 /nfs/dbraw/zinc/41/64/60/1065416460.db2.gz LAYXJLUCAFIPEO-DGCLKSJQSA-N 1 0 354.838 2.601 20 5 FFBDRO COc1ccc2c(c1)C[C@@H]([NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1)CC2 ZINC001474235110 1065474259 /nfs/dbraw/zinc/47/42/59/1065474259.db2.gz LXSDFDLWFOTNHP-FXAWDEMLSA-N 1 0 356.422 2.958 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](C)CCN1C(=O)c2ccccc2C1=O ZINC001474373085 1065505995 /nfs/dbraw/zinc/50/59/95/1065505995.db2.gz XZPAPIHKCROZFK-UHFFFAOYSA-N 1 0 367.405 2.940 20 5 FFBDRO NC(=O)[C@]12CCC[C@H]1C[N@H+](Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C2 ZINC001474726334 1065591220 /nfs/dbraw/zinc/59/12/20/1065591220.db2.gz KXXFCTFPXZNXLQ-WFASDCNBSA-N 1 0 357.332 2.701 20 5 FFBDRO CN(C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)C1(C[NH3+])CCCCC1 ZINC001578391651 1078468485 /nfs/dbraw/zinc/46/84/85/1078468485.db2.gz GZLXKMDUBYFSEY-UHFFFAOYSA-N 1 0 357.414 2.514 20 5 FFBDRO C[NH2+][C@@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)Cc1ccccc1 ZINC001578591902 1078495944 /nfs/dbraw/zinc/49/59/44/1078495944.db2.gz VBBCMTWIWJYJCH-OAHLLOKOSA-N 1 0 353.378 2.902 20 5 FFBDRO COc1cc(C(=O)N2c3ccccc3CC[C@H]2C[NH3+])cc([N+](=O)[O-])c1C ZINC001579140803 1078574454 /nfs/dbraw/zinc/57/44/54/1078574454.db2.gz DRABORHMKSEARM-HNNXBMFYSA-N 1 0 355.394 2.832 20 5 FFBDRO COc1cc(C(=O)N2CC[NH2+]C[C@@H]2c2ccccc2)c([N+](=O)[O-])cc1F ZINC001579141486 1078575072 /nfs/dbraw/zinc/57/50/72/1078575072.db2.gz QGTJSDPOXHQDHG-MRXNPFEDSA-N 1 0 359.357 2.529 20 5 FFBDRO COc1cc([N+](=O)[O-])cnc1NC(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC001579179968 1078581443 /nfs/dbraw/zinc/58/14/43/1078581443.db2.gz KIYNQUCXYNAMKB-CYBMUJFWSA-N 1 0 356.382 2.629 20 5 FFBDRO Cc1ccc(CNC(=O)[C@@H]([NH3+])Cc2cc3ccccc3o2)cc1[N+](=O)[O-] ZINC001579692059 1078663531 /nfs/dbraw/zinc/66/35/31/1078663531.db2.gz QWDQCWLRPJTXNH-INIZCTEOSA-N 1 0 353.378 2.836 20 5 FFBDRO [NH3+]C[C@]12CC[C@H]1CCCN2C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC001580250197 1078774303 /nfs/dbraw/zinc/77/43/03/1078774303.db2.gz HMNREIGLADQXOG-MLGOLLRUSA-N 1 0 352.822 2.661 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1C[C@@H]([NH+](C)C)C1(C)C ZINC001557155541 1075816106 /nfs/dbraw/zinc/81/61/06/1075816106.db2.gz NZRLEZJIHLSDHJ-COLVAYQJSA-N 1 0 369.849 2.860 20 5 FFBDRO Cc1cc(C(=O)N2CC[NH2+][C@@H](Cc3ccc(F)cc3)C2)ccc1[N+](=O)[O-] ZINC001557728798 1075881034 /nfs/dbraw/zinc/88/10/34/1075881034.db2.gz ZHOMUCGJBZWMBX-KRWDZBQOSA-N 1 0 357.385 2.699 20 5 FFBDRO Cc1cccc(C[N@H+]2CC[C@@H](NC(=O)c3[nH]nc(C(C)C)c3[N+](=O)[O-])C2)c1 ZINC001557759644 1075885660 /nfs/dbraw/zinc/88/56/60/1075885660.db2.gz BIVQONSKYAQROW-OAHLLOKOSA-N 1 0 371.441 2.754 20 5 FFBDRO COC(=O)[C@H]1CCCC[C@H]1C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001559482461 1076165683 /nfs/dbraw/zinc/16/56/83/1076165683.db2.gz DYFHHRAFDBRZTD-YJBOKZPZSA-N 1 0 361.442 2.696 20 5 FFBDRO O=C(CC[NH+]1CCC(c2ncccn2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC001560157969 1076238295 /nfs/dbraw/zinc/23/82/95/1076238295.db2.gz WCTHTPMUPFEHKI-UHFFFAOYSA-N 1 0 355.398 2.593 20 5 FFBDRO CC[C@@H]1CCC[C@H]([NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001560316696 1076263090 /nfs/dbraw/zinc/26/30/90/1076263090.db2.gz HRTPWFUUUCYAPX-CABCVRRESA-N 1 0 369.487 2.822 20 5 FFBDRO CC[C@H]([NH2+]Cc1c(C)nn(C)c1N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC001560423254 1076272216 /nfs/dbraw/zinc/27/22/16/1076272216.db2.gz BAXJTVMWFRUKGD-SFHVURJKSA-N 1 0 373.457 2.714 20 5 FFBDRO COC[C@@H](CC(C)(C)C)[NH2+]Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC001560517782 1076277478 /nfs/dbraw/zinc/27/74/78/1076277478.db2.gz WITVJAQPNJESQD-CQSZACIVSA-N 1 0 368.430 2.687 20 5 FFBDRO Cc1ccc(CN2CCO[C@H](C[NH2+]Cc3cccc([N+](=O)[O-])c3)C2)cc1 ZINC001560561570 1076280205 /nfs/dbraw/zinc/28/02/05/1076280205.db2.gz SHPHSFAUFQMEOW-HXUWFJFHSA-N 1 0 355.438 2.894 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1[C@H](C)C[N@H+](C)[C@H](C)[C@@H]1C ZINC001586370758 1079613587 /nfs/dbraw/zinc/61/35/87/1079613587.db2.gz LHTHYIIXTJIVCQ-NDBYEHHHSA-N 1 0 369.849 2.955 20 5 FFBDRO CC(C)[NH+]1CCC(N(C)C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)CC1 ZINC001587939700 1079895674 /nfs/dbraw/zinc/89/56/74/1079895674.db2.gz IULBHFITSOFIDL-UHFFFAOYSA-N 1 0 366.437 2.745 20 5 FFBDRO CC(C)(C)OC1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC001589193377 1080408319 /nfs/dbraw/zinc/40/83/19/1080408319.db2.gz RHFZRABRJBEBMP-UHFFFAOYSA-N 1 0 360.418 2.554 20 5 FFBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000107682981 206020798 /nfs/dbraw/zinc/02/07/98/206020798.db2.gz FXYIPIMCLATWCP-HZPDHXFCSA-N 1 0 362.474 2.881 20 5 FFBDRO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000144364018 206139071 /nfs/dbraw/zinc/13/90/71/206139071.db2.gz ICAFRERHFPMZMS-BUPRPMBJSA-N 1 0 351.406 2.889 20 5 FFBDRO CCOC[C@@H]([NH2+]CC(=O)Nc1ccc(OCC)cc1[N+](=O)[O-])C(C)C ZINC000285703739 257000454 /nfs/dbraw/zinc/00/04/54/257000454.db2.gz CVZDWYHOCSVEOX-OAHLLOKOSA-N 1 0 353.419 2.583 20 5 FFBDRO O=C(Cc1ccccc1[N+](=O)[O-])NC1CC[NH+](CCc2ccccc2)CC1 ZINC000027938634 249346488 /nfs/dbraw/zinc/34/64/88/249346488.db2.gz HBYOKTSPIHIXKA-UHFFFAOYSA-N 1 0 367.449 2.961 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000093064781 250015600 /nfs/dbraw/zinc/01/56/00/250015600.db2.gz BMMHUSDBSOATTJ-UHFFFAOYSA-N 1 0 354.410 2.945 20 5 FFBDRO COc1cc(CN2CC[C@H](C[NH+]3CCCCC3)C2)c([N+](=O)[O-])cc1OC ZINC000093683595 250042350 /nfs/dbraw/zinc/04/23/50/250042350.db2.gz DYSXVUYPIGKNKW-OAHLLOKOSA-N 1 0 363.458 2.920 20 5 FFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000117794050 250363043 /nfs/dbraw/zinc/36/30/43/250363043.db2.gz DOFIQFWGZJCEDW-ZDUSSCGKSA-N 1 0 351.834 2.924 20 5 FFBDRO CCCNC(=O)CN1CCC([NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000153468584 251141989 /nfs/dbraw/zinc/14/19/89/251141989.db2.gz WVDDQCOVBWTGPB-HNNXBMFYSA-N 1 0 362.474 2.544 20 5 FFBDRO CCn1nc(C)c([N+](=O)[O-])c1NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000192566730 251290019 /nfs/dbraw/zinc/29/00/19/251290019.db2.gz KJKNQQWSEQKCHW-UHFFFAOYSA-N 1 0 373.457 2.688 20 5 FFBDRO CCCc1n[nH]c(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000264603989 251321613 /nfs/dbraw/zinc/32/16/13/251321613.db2.gz KWXGZPMKONXLMZ-OAHLLOKOSA-N 1 0 371.441 2.665 20 5 FFBDRO Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)n1 ZINC000270724140 251613642 /nfs/dbraw/zinc/61/36/42/251613642.db2.gz AQJURASEOGYRRY-UHFFFAOYSA-N 1 0 357.414 2.609 20 5 FFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](O)C1CCOCC1 ZINC000271430670 251791459 /nfs/dbraw/zinc/79/14/59/251791459.db2.gz BXLGIQUWBFVHJJ-GDBMZVCRSA-N 1 0 354.472 2.843 20 5 FFBDRO CC1CC[NH+](C[C@@H]2CCCN(c3ccc(C(N)=O)cc3[N+](=O)[O-])C2)CC1 ZINC000271618681 251837160 /nfs/dbraw/zinc/83/71/60/251837160.db2.gz LRNSULQEPAHCPN-HNNXBMFYSA-N 1 0 360.458 2.642 20 5 FFBDRO COc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000271649252 251845783 /nfs/dbraw/zinc/84/57/83/251845783.db2.gz IVCXGENILPQXKO-GFCCVEGCSA-N 1 0 359.382 2.901 20 5 FFBDRO COc1cc(C[NH2+]C[C@H]2CCCCO2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272462638 252044108 /nfs/dbraw/zinc/04/41/08/252044108.db2.gz QUYAMHBAXXFTHX-GFCCVEGCSA-N 1 0 360.357 2.906 20 5 FFBDRO Cn1ccnc1[C@@H](N[C@@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000272564019 252069883 /nfs/dbraw/zinc/06/98/83/252069883.db2.gz UQNWXNLBPVUSOZ-NXHRZFHOSA-N 1 0 357.458 2.880 20 5 FFBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3Br)[C@@H]2C1 ZINC000272697275 252105459 /nfs/dbraw/zinc/10/54/59/252105459.db2.gz YATUKULQLRCZTN-IINYFYTJSA-N 1 0 368.231 2.524 20 5 FFBDRO COCCC(=O)N1CCC(Nc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000272814629 252137770 /nfs/dbraw/zinc/13/77/70/252137770.db2.gz HPHRTBWVFMOJOO-UHFFFAOYSA-N 1 0 372.425 2.891 20 5 FFBDRO COc1ccc(C(=O)NCc2ccc(CC[NH+](C)C)cc2)cc1[N+](=O)[O-] ZINC000276153644 256077113 /nfs/dbraw/zinc/07/71/13/256077113.db2.gz GQHFYRRPUXPUFW-UHFFFAOYSA-N 1 0 357.410 2.638 20 5 FFBDRO CC(C)NC(=O)c1ccc(N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c([N+](=O)[O-])c1 ZINC000277087713 256160390 /nfs/dbraw/zinc/16/03/90/256160390.db2.gz VFLMFYXWPBPFIS-HOTGVXAUSA-N 1 0 360.458 2.654 20 5 FFBDRO Cn1cc(CN2CCC[C@@H]([NH+](C)C)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000277657622 256223088 /nfs/dbraw/zinc/22/30/88/256223088.db2.gz ZOQMYAXHSNUWPH-QGZVFWFLSA-N 1 0 357.458 2.911 20 5 FFBDRO C[C@H]1C[N@H+](CCCNCc2cc([N+](=O)[O-])ccc2OC(F)F)CCCO1 ZINC000277983718 256263814 /nfs/dbraw/zinc/26/38/14/256263814.db2.gz UBQFEEOIVGIAGN-ZDUSSCGKSA-N 1 0 373.400 2.787 20 5 FFBDRO COC[C@H]([NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000278695083 256339334 /nfs/dbraw/zinc/33/93/34/256339334.db2.gz QJVCUALOQLNEGW-GXTWGEPZSA-N 1 0 359.220 2.641 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCC(CC[NH+](C)C)CC2)c1 ZINC000281687863 256654400 /nfs/dbraw/zinc/65/44/00/256654400.db2.gz VCJSASGMJFLGCZ-UHFFFAOYSA-N 1 0 363.458 2.862 20 5 FFBDRO CCOC(=O)[C@H](C)[C@H](C)[NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000283319754 256867223 /nfs/dbraw/zinc/86/72/23/256867223.db2.gz ZOIPDKNZJYOJNT-VWYCJHECSA-N 1 0 371.821 2.753 20 5 FFBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1c1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000286285111 257029254 /nfs/dbraw/zinc/02/92/54/257029254.db2.gz IJZDKMSTEYKOKN-XJKSGUPXSA-N 1 0 358.442 2.550 20 5 FFBDRO COC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000286305646 257030317 /nfs/dbraw/zinc/03/03/17/257030317.db2.gz CQIJJNHLYZBDLX-AWEZNQCLSA-N 1 0 362.304 2.531 20 5 FFBDRO CC(C)C[NH+]1CCC(NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000286551481 257042505 /nfs/dbraw/zinc/04/25/05/257042505.db2.gz HOHMXXUUPGJCHE-UHFFFAOYSA-N 1 0 362.474 2.899 20 5 FFBDRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000286732784 257051989 /nfs/dbraw/zinc/05/19/89/257051989.db2.gz RSSGEWYUOKTVJK-UHFFFAOYSA-N 1 0 371.397 2.658 20 5 FFBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000286815630 257056627 /nfs/dbraw/zinc/05/66/27/257056627.db2.gz JYJCRCKUIWQVFI-MLGOLLRUSA-N 1 0 366.849 2.745 20 5 FFBDRO COCCC[NH+]1CCC(Nc2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000287710952 257104005 /nfs/dbraw/zinc/10/40/05/257104005.db2.gz FMEZLKBJVMCBIL-UHFFFAOYSA-N 1 0 351.432 2.512 20 5 FFBDRO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@H]1CCOC(C)(C)C1 ZINC000289672322 257293225 /nfs/dbraw/zinc/29/32/25/257293225.db2.gz GAHKTYBHZUEHLE-AWEZNQCLSA-N 1 0 365.430 2.821 20 5 FFBDRO COC[C@@]1(C[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)OCCc2ccccc21 ZINC000289873816 257304114 /nfs/dbraw/zinc/30/41/14/257304114.db2.gz PGBZPSLOJACTQM-HXUWFJFHSA-N 1 0 372.421 2.808 20 5 FFBDRO CC[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CCOC(C)(C)C1 ZINC000289944443 257307813 /nfs/dbraw/zinc/30/78/13/257307813.db2.gz VQNGXYQNMCMPRL-LSDHHAIUSA-N 1 0 352.431 2.614 20 5 FFBDRO O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000290031910 257312301 /nfs/dbraw/zinc/31/23/01/257312301.db2.gz GAMWXCHAAFDFQE-MRXNPFEDSA-N 1 0 372.469 2.657 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000290297779 257324403 /nfs/dbraw/zinc/32/44/03/257324403.db2.gz DVGIDORROHZKRG-CQSZACIVSA-N 1 0 354.410 2.605 20 5 FFBDRO O=C(NC[C@@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1)C(F)(F)F ZINC000289557541 257287053 /nfs/dbraw/zinc/28/70/53/257287053.db2.gz UVJYOSIECOUMMU-ZDUSSCGKSA-N 1 0 359.348 2.528 20 5 FFBDRO Cc1ncsc1C[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000289586925 257288618 /nfs/dbraw/zinc/28/86/18/257288618.db2.gz RUBQMHYXGPWOCW-UHFFFAOYSA-N 1 0 372.454 2.948 20 5 FFBDRO O=C(Nc1ccc2c(c1)C[NH2+]CCO2)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000291058777 257378143 /nfs/dbraw/zinc/37/81/43/257378143.db2.gz KTOLBTNVVAOTMT-UHFFFAOYSA-N 1 0 368.393 2.903 20 5 FFBDRO O=[N+]([O-])c1ccc2oc(C[N@H+]3CC[C@@](CO)(c4ccccc4)C3)nc2c1 ZINC000291150210 257388065 /nfs/dbraw/zinc/38/80/65/257388065.db2.gz AGORILMIDXXXQI-LJQANCHMSA-N 1 0 353.378 2.872 20 5 FFBDRO CC(=O)Nc1ccc(OC[C@@H](O)C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000294949108 257609543 /nfs/dbraw/zinc/60/95/43/257609543.db2.gz AQTNFKVMIFZOPH-UGSOOPFHSA-N 1 0 373.409 2.644 20 5 FFBDRO CC[NH+](CC)CCOc1ccccc1CNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000294504910 257590608 /nfs/dbraw/zinc/59/06/08/257590608.db2.gz PKAAQBYVOYEELD-UHFFFAOYSA-N 1 0 365.474 2.859 20 5 FFBDRO CC[C@H]1CN(c2ccc(Br)cc2[N+](=O)[O-])CC[N@@H+]1C[C@H](C)O ZINC000301237680 258036493 /nfs/dbraw/zinc/03/64/93/258036493.db2.gz IKYJOVDTVOXMDE-AAEUAGOBSA-N 1 0 372.263 2.639 20 5 FFBDRO C[C@@H]1C[NH+](CC2CCN(c3ncc([N+](=O)[O-])cc3Cl)CC2)C[C@@H](C)O1 ZINC000301274959 258039038 /nfs/dbraw/zinc/03/90/38/258039038.db2.gz LPGKXMGKVITGLZ-CHWSQXEVSA-N 1 0 368.865 2.969 20 5 FFBDRO CCN(CC)c1ccc(Nc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)cn1 ZINC000302592578 258106495 /nfs/dbraw/zinc/10/64/95/258106495.db2.gz AOMOIVGKUABSOZ-UHFFFAOYSA-N 1 0 364.427 2.983 20 5 FFBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@@H](CC[NH3+])c2ccccc21 ZINC000327431676 258116288 /nfs/dbraw/zinc/11/62/88/258116288.db2.gz OQNDMOFQCFDHAV-CYBMUJFWSA-N 1 0 361.423 2.545 20 5 FFBDRO Cc1cnc(N(C)CC[NH+]2CCN(c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000301449865 258050479 /nfs/dbraw/zinc/05/04/79/258050479.db2.gz PQBLBWSFHKPYFZ-UHFFFAOYSA-N 1 0 355.442 2.557 20 5 FFBDRO Cc1cc(NC[C@H](C)[NH+]2CCN(c3ccccc3)CC2)ncc1[N+](=O)[O-] ZINC000301459893 258050658 /nfs/dbraw/zinc/05/06/58/258050658.db2.gz YGXXIXLJRYRVQZ-INIZCTEOSA-N 1 0 355.442 2.921 20 5 FFBDRO C[NH+](C)C1CCN(CCNc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000301556507 258055889 /nfs/dbraw/zinc/05/58/89/258055889.db2.gz SJGMQJRZDPOTIF-UHFFFAOYSA-N 1 0 371.279 2.795 20 5 FFBDRO C[C@H](O)C[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)C[C@H]1C ZINC000301854742 258070531 /nfs/dbraw/zinc/07/05/31/258070531.db2.gz CIMDWRUNRRLFTO-KGLIPLIRSA-N 1 0 351.447 2.663 20 5 FFBDRO O=[N+]([O-])c1cnc2ccc(NC[C@@H](c3ccccc3)[NH+]3CCCC3)nn21 ZINC000301871189 258071986 /nfs/dbraw/zinc/07/19/86/258071986.db2.gz CWKQDQRBFPQHDN-HNNXBMFYSA-N 1 0 352.398 2.887 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1[C@@H](C)C[NH+](C)C[C@@H]1C ZINC000330481092 258164870 /nfs/dbraw/zinc/16/48/70/258164870.db2.gz SYUKFCDLXIRBJB-SRVKXCTJSA-N 1 0 355.822 2.567 20 5 FFBDRO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000331387547 258184318 /nfs/dbraw/zinc/18/43/18/258184318.db2.gz CYTIIIODYJXXMR-KBPBESRZSA-N 1 0 367.833 2.574 20 5 FFBDRO CS[C@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C[C@@H]1[NH+](C)C ZINC000331473382 258187595 /nfs/dbraw/zinc/18/75/95/258187595.db2.gz KVIYIUIWOLMNNJ-WFASDCNBSA-N 1 0 365.480 2.927 20 5 FFBDRO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000331570117 258191276 /nfs/dbraw/zinc/19/12/76/258191276.db2.gz PTRRBQQOVBXQKE-NSHDSACASA-N 1 0 353.369 2.549 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC(C[NH+]2CCCC2)CC1 ZINC000331927422 258206180 /nfs/dbraw/zinc/20/61/80/258206180.db2.gz VEEVFWGVLRXERR-UHFFFAOYSA-N 1 0 360.458 2.650 20 5 FFBDRO O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000332298151 258224070 /nfs/dbraw/zinc/22/40/70/258224070.db2.gz HIYPFMFISOHWGF-ZDUSSCGKSA-N 1 0 369.368 2.897 20 5 FFBDRO CC(C)C(=O)N1CCC([NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000331846493 258202636 /nfs/dbraw/zinc/20/26/36/258202636.db2.gz CFPNZUCUQHHHKW-JKSUJKDBSA-N 1 0 363.462 2.512 20 5 FFBDRO CCc1n[nH]c(C(=O)N2CC[N@H+](Cc3ccccc3)CC[C@H]2C)c1[N+](=O)[O-] ZINC000373068274 512156191 /nfs/dbraw/zinc/15/61/91/512156191.db2.gz FEGRBZVMEYUVQO-CQSZACIVSA-N 1 0 371.441 2.617 20 5 FFBDRO O=C(c1ccnc(-c2ccccc2)c1[N+](=O)[O-])N1CC[NH+]2CCC1CC2 ZINC000375091938 512158207 /nfs/dbraw/zinc/15/82/07/512158207.db2.gz VQDXVDATDXMWHZ-UHFFFAOYSA-N 1 0 352.394 2.577 20 5 FFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000053372775 506366296 /nfs/dbraw/zinc/36/62/96/506366296.db2.gz MFIBORJCAGGIGF-SFHVURJKSA-N 1 0 354.410 2.865 20 5 FFBDRO Cn1cc(N2CC[C@H]([NH2+][C@H]3CCC[C@@H]3Cc3ccccc3[N+](=O)[O-])C2)cn1 ZINC000366755465 512173278 /nfs/dbraw/zinc/17/32/78/512173278.db2.gz AYNHOFGYYAVLQY-AYBZRNKSSA-N 1 0 369.469 2.908 20 5 FFBDRO CNC(=O)c1ccc(NCCC[N@@H+]2CCc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000053558654 506405474 /nfs/dbraw/zinc/40/54/74/506405474.db2.gz OXUUJMIJSFRAFO-UHFFFAOYSA-N 1 0 368.437 2.815 20 5 FFBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000371226893 512277912 /nfs/dbraw/zinc/27/79/12/512277912.db2.gz CYONMJNTCGVXEY-MAUKXSAKSA-N 1 0 360.458 2.778 20 5 FFBDRO CCOCCCNC(=O)C1CC[NH+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000041622934 506536984 /nfs/dbraw/zinc/53/69/84/506536984.db2.gz HCKBUZGCRQGCIM-HNNXBMFYSA-N 1 0 363.458 2.911 20 5 FFBDRO COCC[N@H+](C)CCCNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000041967153 506573925 /nfs/dbraw/zinc/57/39/25/506573925.db2.gz HXOZRAJDLMSHFJ-UHFFFAOYSA-N 1 0 351.447 2.590 20 5 FFBDRO CCOc1cc(C[N@@H+]2CCC[C@H](c3ccnc(N)n3)C2)ccc1[N+](=O)[O-] ZINC000366990969 512285413 /nfs/dbraw/zinc/28/54/13/512285413.db2.gz VVHTWLOPVSHRDS-AWEZNQCLSA-N 1 0 357.414 2.576 20 5 FFBDRO C[NH+](C)[C@@H](CNC(=O)CCNc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000011595247 506783170 /nfs/dbraw/zinc/78/31/70/506783170.db2.gz FCMORHULQWFBFD-SFHVURJKSA-N 1 0 356.426 2.816 20 5 FFBDRO CC(C)C[NH+]1CCC(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000067264986 506808183 /nfs/dbraw/zinc/80/81/83/506808183.db2.gz RACGHMKKMNYBRC-UHFFFAOYSA-N 1 0 371.441 2.631 20 5 FFBDRO O=C(C1CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1)N1CCCC1 ZINC000055900447 506880798 /nfs/dbraw/zinc/88/07/98/506880798.db2.gz XFRXTNNCXPDLLU-UHFFFAOYSA-N 1 0 361.442 2.698 20 5 FFBDRO O=C(CCNc1ccccc1[N+](=O)[O-])NCC[N@@H+]1CCc2ccccc2C1 ZINC000045076712 506914677 /nfs/dbraw/zinc/91/46/77/506914677.db2.gz VGDMEVBJYUUXSC-UHFFFAOYSA-N 1 0 368.437 2.571 20 5 FFBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000056168277 506952932 /nfs/dbraw/zinc/95/29/32/506952932.db2.gz LMBOFUVLFJHPMG-WFASDCNBSA-N 1 0 372.400 2.881 20 5 FFBDRO C[C@H]1CCC[N@H+](CCCCNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000068126791 507120763 /nfs/dbraw/zinc/12/07/63/507120763.db2.gz RGFWHCWBCGAQMP-LBPRGKRZSA-N 1 0 352.410 2.558 20 5 FFBDRO O=C(NCCC[N@@H+]1CCc2ccccc2C1)NCc1ccc([N+](=O)[O-])cc1 ZINC000057005313 507144438 /nfs/dbraw/zinc/14/44/38/507144438.db2.gz LHFUKQJPWBAMCZ-UHFFFAOYSA-N 1 0 368.437 2.842 20 5 FFBDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000057156700 507190000 /nfs/dbraw/zinc/19/00/00/507190000.db2.gz FFSURSMBBQFCIC-CYBMUJFWSA-N 1 0 365.430 2.622 20 5 FFBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000068468540 507242614 /nfs/dbraw/zinc/24/26/14/507242614.db2.gz MFXYURDFVWYFON-KRWDZBQOSA-N 1 0 356.426 2.636 20 5 FFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000057348892 507244888 /nfs/dbraw/zinc/24/48/88/507244888.db2.gz NQNMGQUYQUGNBG-HNNXBMFYSA-N 1 0 352.394 2.923 20 5 FFBDRO O=C(CC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1)Nc1ccccc1 ZINC000022198417 507283036 /nfs/dbraw/zinc/28/30/36/507283036.db2.gz QTOSSPVKAKKQPM-UHFFFAOYSA-N 1 0 354.410 2.746 20 5 FFBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000022610965 507301761 /nfs/dbraw/zinc/30/17/61/507301761.db2.gz DPKLXXCSFFMACS-UHFFFAOYSA-N 1 0 353.422 2.872 20 5 FFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000047434125 507332344 /nfs/dbraw/zinc/33/23/44/507332344.db2.gz ARJUPIYGEHBCLU-CHWSQXEVSA-N 1 0 367.471 2.546 20 5 FFBDRO Cc1cc(C(=O)NCc2cccc(OCC[NH+](C)C)c2)ccc1[N+](=O)[O-] ZINC000047673036 507377623 /nfs/dbraw/zinc/37/76/23/507377623.db2.gz LHYOEWAWINXGBJ-UHFFFAOYSA-N 1 0 357.410 2.774 20 5 FFBDRO CN1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])Cc2ccccc21 ZINC000069091052 507405012 /nfs/dbraw/zinc/40/50/12/507405012.db2.gz BQWYHWQQGUFGSW-UHFFFAOYSA-N 1 0 354.410 2.875 20 5 FFBDRO C[NH+](C)CCN(C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000069139625 507419888 /nfs/dbraw/zinc/41/98/88/507419888.db2.gz FGKBQBNKPKWYCU-UHFFFAOYSA-N 1 0 353.382 2.680 20 5 FFBDRO COc1ccc(C(=O)NC[C@H](C)[N@@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000025634192 507517022 /nfs/dbraw/zinc/51/70/22/507517022.db2.gz PIKVUANGLSAJLL-AWEZNQCLSA-N 1 0 369.421 2.780 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H](C)C[NH+]2CCCCC2)cc1C ZINC000060507083 507554906 /nfs/dbraw/zinc/55/49/06/507554906.db2.gz JBNPSPXBYJKJPX-ZDUSSCGKSA-N 1 0 369.487 2.612 20 5 FFBDRO CCC[NH+]1CCC(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 ZINC000061030926 507591523 /nfs/dbraw/zinc/59/15/23/507591523.db2.gz UMQHFUKFTNTTNE-UHFFFAOYSA-N 1 0 360.458 2.799 20 5 FFBDRO C[N@H+](CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000028049767 507706913 /nfs/dbraw/zinc/70/69/13/507706913.db2.gz LRPSBJAMQDMWKY-UHFFFAOYSA-N 1 0 355.460 2.528 20 5 FFBDRO CCOc1ccccc1C[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000051426303 507770195 /nfs/dbraw/zinc/77/01/95/507770195.db2.gz DUNNWAKVJIEYNG-KRWDZBQOSA-N 1 0 360.410 2.865 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@H]1C[NH+]1CCCCC1 ZINC000072603516 507829876 /nfs/dbraw/zinc/82/98/76/507829876.db2.gz MTDNLYTUFPOFIW-KRWDZBQOSA-N 1 0 360.458 2.792 20 5 FFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000078403832 507868571 /nfs/dbraw/zinc/86/85/71/507868571.db2.gz DBFASOWKMXNLEH-LBPRGKRZSA-N 1 0 359.348 2.772 20 5 FFBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000073108715 507894655 /nfs/dbraw/zinc/89/46/55/507894655.db2.gz DCASTSKFXKTQSI-CQSZACIVSA-N 1 0 362.386 2.512 20 5 FFBDRO COc1ccc(OCC[N@@H+]2CCC[C@H](Cc3nccn3C)C2)c([N+](=O)[O-])c1 ZINC000090004206 507900371 /nfs/dbraw/zinc/90/03/71/507900371.db2.gz NZCVAFPRVALXHZ-OAHLLOKOSA-N 1 0 374.441 2.670 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000110353427 508023248 /nfs/dbraw/zinc/02/32/48/508023248.db2.gz NZNVYASHWSGXEM-AWEZNQCLSA-N 1 0 357.410 2.854 20 5 FFBDRO COc1ccc(-c2ccc(C[N@@H+](CC(N)=O)CC(C)C)o2)c([N+](=O)[O-])c1 ZINC000092011600 508032841 /nfs/dbraw/zinc/03/28/41/508032841.db2.gz ZHPAVOUHTRPJMF-UHFFFAOYSA-N 1 0 361.398 2.807 20 5 FFBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000110870483 508051853 /nfs/dbraw/zinc/05/18/53/508051853.db2.gz JMUBXJPRPLMVKZ-UHFFFAOYSA-N 1 0 373.457 2.646 20 5 FFBDRO O=C(NCCCCC[NH+]1CCCCC1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000111039930 508066324 /nfs/dbraw/zinc/06/63/24/508066324.db2.gz XSOHLBQIFSYHIR-UHFFFAOYSA-N 1 0 359.430 2.857 20 5 FFBDRO C[C@H](Nc1ccc(C(=O)N(C)CC[NH+](C)C)cc1[N+](=O)[O-])c1ccccn1 ZINC000080390201 508069973 /nfs/dbraw/zinc/06/99/73/508069973.db2.gz KRLITKCDEOFUSF-AWEZNQCLSA-N 1 0 371.441 2.797 20 5 FFBDRO C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)c1ccc(NC3CC3)c([N+](=O)[O-])c1)C2 ZINC000080715122 508096909 /nfs/dbraw/zinc/09/69/09/508096909.db2.gz LMDTVVCAZMVRGV-MQVJKMGUSA-N 1 0 358.442 2.914 20 5 FFBDRO Cc1c(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000080717917 508097687 /nfs/dbraw/zinc/09/76/87/508097687.db2.gz LJDSBFXCHZHQQN-YHWZYXNKSA-N 1 0 362.386 2.557 20 5 FFBDRO CCC(CC)(CNC(=O)Cn1ccc([N+](=O)[O-])n1)[NH2+][C@@H](C)c1ccccc1 ZINC000111635124 508112180 /nfs/dbraw/zinc/11/21/80/508112180.db2.gz OKUWHJBQIXTYIT-HNNXBMFYSA-N 1 0 373.457 2.817 20 5 FFBDRO Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)cccc1[N+](=O)[O-] ZINC000080959611 508117327 /nfs/dbraw/zinc/11/73/27/508117327.db2.gz AKDWPACILQYNDU-CQSZACIVSA-N 1 0 357.414 2.835 20 5 FFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000075890498 508141468 /nfs/dbraw/zinc/14/14/68/508141468.db2.gz RVUJLTUVDUEBSB-GOSISDBHSA-N 1 0 363.458 2.679 20 5 FFBDRO CNC(=O)[C@H]1CCC[N@H+](Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C1 ZINC000093360915 508142528 /nfs/dbraw/zinc/14/25/28/508142528.db2.gz KIVSVJYDWSRQQQ-ZDUSSCGKSA-N 1 0 373.409 2.821 20 5 FFBDRO COc1cccc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1OC ZINC000093534464 508148429 /nfs/dbraw/zinc/14/84/29/508148429.db2.gz BGNCGWSNMSMHMG-CQSZACIVSA-N 1 0 358.398 2.693 20 5 FFBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3ccc(N4CCCC4)nc3)C2)nc1 ZINC000093534387 508148575 /nfs/dbraw/zinc/14/85/75/508148575.db2.gz DBEAXHSHVDWARC-INIZCTEOSA-N 1 0 368.441 2.671 20 5 FFBDRO O=[N+]([O-])c1c2cccnc2ccc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC000112074555 508148648 /nfs/dbraw/zinc/14/86/48/508148648.db2.gz FQWSFZUIEBKSAK-UHFFFAOYSA-N 1 0 356.426 2.692 20 5 FFBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000081293432 508157678 /nfs/dbraw/zinc/15/76/78/508157678.db2.gz XQXDFOIRTYHXGF-INIZCTEOSA-N 1 0 361.442 2.744 20 5 FFBDRO CCc1nn(C)c(NCCC[NH+]2CCN(c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000094134978 508170699 /nfs/dbraw/zinc/17/06/99/508170699.db2.gz AHFYFZIRUAZSQN-UHFFFAOYSA-N 1 0 372.473 2.515 20 5 FFBDRO Cc1nc2n(n1)C[C@@H]([NH2+]Cc1cc(=O)oc3ccc4ccccc4c13)CC2 ZINC000112549082 508195061 /nfs/dbraw/zinc/19/50/61/508195061.db2.gz MRYFAWIHQJBYGH-INIZCTEOSA-N 1 0 360.417 2.951 20 5 FFBDRO CC(C)[C@H](CO)[N@H+](Cc1ccccc1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000112658255 508206405 /nfs/dbraw/zinc/20/64/05/508206405.db2.gz FXIKNICGZKXMMY-IBGZPJMESA-N 1 0 371.437 2.713 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000076486603 508212999 /nfs/dbraw/zinc/21/29/99/508212999.db2.gz VSCBCKWICVFMOP-ZBFHGGJFSA-N 1 0 371.441 2.583 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)CSc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000076492408 508213380 /nfs/dbraw/zinc/21/33/80/508213380.db2.gz OHJAWPTUODUMSX-CJNGLKHVSA-N 1 0 351.472 2.876 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@@H](O)COCC3CC3)cs2)c1 ZINC000113331563 508261433 /nfs/dbraw/zinc/26/14/33/508261433.db2.gz JOVMIKTVCXPXLH-MRXNPFEDSA-N 1 0 363.439 2.595 20 5 FFBDRO COc1cc(C[NH2+]C[C@](C)(O)c2ccc(F)cc2F)c([N+](=O)[O-])cc1O ZINC000114509275 508323213 /nfs/dbraw/zinc/32/32/13/508323213.db2.gz DAMQMXHWBFXZNQ-KRWDZBQOSA-N 1 0 368.336 2.585 20 5 FFBDRO C[NH+](C)[C@@H](CNC(=O)CCc1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000087007368 508331321 /nfs/dbraw/zinc/33/13/21/508331321.db2.gz LKGUMZLINNWNGD-LJQANCHMSA-N 1 0 355.438 2.817 20 5 FFBDRO COc1cccc([C@H](CNC(=O)CCc2cccc([N+](=O)[O-])c2)[NH+](C)C)c1 ZINC000087007584 508331326 /nfs/dbraw/zinc/33/13/26/508331326.db2.gz OJMDVSMTKZNAID-IBGZPJMESA-N 1 0 371.437 2.955 20 5 FFBDRO C[NH+](C)CCN(Cc1ccco1)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000088250410 508361748 /nfs/dbraw/zinc/36/17/48/508361748.db2.gz STGYTSUHVIGLEB-UHFFFAOYSA-N 1 0 365.817 2.974 20 5 FFBDRO C[N@H+](CCCO)C1CCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000115519847 508405431 /nfs/dbraw/zinc/40/54/31/508405431.db2.gz MDRRMUXPDSOOCU-UHFFFAOYSA-N 1 0 372.263 2.640 20 5 FFBDRO C[NH2+][C@H]1CCCN(C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000133533737 508412406 /nfs/dbraw/zinc/41/24/06/508412406.db2.gz XNAKNSWABKWGOH-LBPRGKRZSA-N 1 0 374.363 2.626 20 5 FFBDRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)c1ccc([N+](=O)[O-])cc1Br ZINC000121766292 508413663 /nfs/dbraw/zinc/41/36/63/508413663.db2.gz AMXWYLXBAYOXQI-LLVKDONJSA-N 1 0 368.231 2.571 20 5 FFBDRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)c1ccc([N+](=O)[O-])cc1Br ZINC000121766440 508413675 /nfs/dbraw/zinc/41/36/75/508413675.db2.gz AMXWYLXBAYOXQI-NSHDSACASA-N 1 0 368.231 2.571 20 5 FFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)c1 ZINC000152280970 508415041 /nfs/dbraw/zinc/41/50/41/508415041.db2.gz KBNAVHRAMPMIFJ-HOCLYGCPSA-N 1 0 357.414 2.503 20 5 FFBDRO CCC[C@H]1CN(Cc2ccc(OC)c([N+](=O)[O-])c2)CC[N@@H+]1CCOC ZINC000121795265 508420653 /nfs/dbraw/zinc/42/06/53/508420653.db2.gz MBRJACAAXVOYHZ-INIZCTEOSA-N 1 0 351.447 2.536 20 5 FFBDRO O=C(NCCc1cn2ccccc2n1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000121898206 508444117 /nfs/dbraw/zinc/44/41/17/508444117.db2.gz YDCKUZUXLAWOIA-UHFFFAOYSA-N 1 0 365.393 2.553 20 5 FFBDRO CCCc1n[nH]c(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000156620768 508451782 /nfs/dbraw/zinc/45/17/82/508451782.db2.gz CDVJBGKBCXQYCM-XJKSGUPXSA-N 1 0 371.441 2.521 20 5 FFBDRO C[C@@H](CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C[NH+]1CCCCC1 ZINC000156712687 508466732 /nfs/dbraw/zinc/46/67/32/508466732.db2.gz YOQJVEAGCFQNEV-AWEZNQCLSA-N 1 0 358.442 2.857 20 5 FFBDRO CC(C)N(CC[NH+](C)C)C(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000156758411 508473060 /nfs/dbraw/zinc/47/30/60/508473060.db2.gz XVUDQBXXSRHRKE-UHFFFAOYSA-N 1 0 358.236 2.770 20 5 FFBDRO C[C@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CC[N@@H+]1C ZINC000127658119 508482411 /nfs/dbraw/zinc/48/24/11/508482411.db2.gz MNHINQYJDLCRGJ-LSDHHAIUSA-N 1 0 360.458 2.750 20 5 FFBDRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000152738029 508505507 /nfs/dbraw/zinc/50/55/07/508505507.db2.gz JGDWDJRHRYZJLL-INIZCTEOSA-N 1 0 358.442 2.753 20 5 FFBDRO CN(C(=O)C[N@H+](C[C@H]1CCCO1)C1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000152967904 508534899 /nfs/dbraw/zinc/53/48/99/508534899.db2.gz CUFVSVQDHXGQGE-GOSISDBHSA-N 1 0 361.442 2.981 20 5 FFBDRO CN(C(=O)C[N@H+](C[C@@H]1CCCO1)C1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000152967835 508535117 /nfs/dbraw/zinc/53/51/17/508535117.db2.gz CUFVSVQDHXGQGE-SFHVURJKSA-N 1 0 361.442 2.981 20 5 FFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN[C@@H](c2cccnc2)C1 ZINC000367237495 512401393 /nfs/dbraw/zinc/40/13/93/512401393.db2.gz LAQXUBRTKFHXMA-SUMWQHHRSA-N 1 0 372.450 2.644 20 5 FFBDRO CCC[C@@H](NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000128085814 508545844 /nfs/dbraw/zinc/54/58/44/508545844.db2.gz QFLZIPXNGUPZHW-FUHWJXTLSA-N 1 0 362.474 2.613 20 5 FFBDRO CC1CC[NH+](CCNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000116727604 508552317 /nfs/dbraw/zinc/55/23/17/508552317.db2.gz KZLYZCGOGBOVJX-UHFFFAOYSA-N 1 0 369.849 2.865 20 5 FFBDRO CC[N@H+](CCNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])C(C)C ZINC000116763597 508557424 /nfs/dbraw/zinc/55/74/24/508557424.db2.gz HZGXTGXYCPPWJY-UHFFFAOYSA-N 1 0 357.838 2.864 20 5 FFBDRO COc1ccccc1[C@@H](C)NC(=O)CN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153246429 508562790 /nfs/dbraw/zinc/56/27/90/508562790.db2.gz SENLTJVFXOJVES-CQSZACIVSA-N 1 0 369.421 2.839 20 5 FFBDRO C[C@@H](C(=O)N1CCc2ccccc2C1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153350883 508574824 /nfs/dbraw/zinc/57/48/24/508574824.db2.gz LCVAKPTZUDOPAD-HNNXBMFYSA-N 1 0 365.433 2.926 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000134918859 508575285 /nfs/dbraw/zinc/57/52/85/508575285.db2.gz SPTFVWARVUCHDM-GOEBONIOSA-N 1 0 369.421 2.996 20 5 FFBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCCN2CCOC)cc1[N+](=O)[O-] ZINC000153553892 508596334 /nfs/dbraw/zinc/59/63/34/508596334.db2.gz YVEAPJWMEWWIOJ-GDBMZVCRSA-N 1 0 351.447 2.755 20 5 FFBDRO O=C1[C@@H]([NH+]2CCC(C3CCOCC3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000153713478 508632858 /nfs/dbraw/zinc/63/28/58/508632858.db2.gz YCOKIKWXDUKGTD-IBGZPJMESA-N 1 0 373.453 2.839 20 5 FFBDRO C[C@H]1C[C@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C[N@@H+]1C1CC1 ZINC000123097834 508635684 /nfs/dbraw/zinc/63/56/84/508635684.db2.gz CQSMOVYZORALHT-ZFWWWQNUSA-N 1 0 358.442 2.894 20 5 FFBDRO COc1ccc(OCC[NH2+][C@@H]2CCCC[C@@H]2n2cccn2)c([N+](=O)[O-])c1 ZINC000129000273 508669115 /nfs/dbraw/zinc/66/91/15/508669115.db2.gz NXWJGINBTDITQY-CVEARBPZSA-N 1 0 360.414 2.952 20 5 FFBDRO Cc1c(NC(=O)CCN2CCC[C@@H]([NH+]3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000118828296 508679416 /nfs/dbraw/zinc/67/94/16/508679416.db2.gz OBAFXIQTEQNNGL-MRXNPFEDSA-N 1 0 360.458 2.792 20 5 FFBDRO O=C(CN1CCC[C@@H]([NH+]2CCCC2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000118829328 508680055 /nfs/dbraw/zinc/68/00/55/508680055.db2.gz QHJNJBWTMNKWPU-CQSZACIVSA-N 1 0 366.849 2.747 20 5 FFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC(CCC[NH+](C)C)CC1 ZINC000123509658 508697633 /nfs/dbraw/zinc/69/76/33/508697633.db2.gz LFABQHQQOHOZRH-OAHLLOKOSA-N 1 0 362.474 2.976 20 5 FFBDRO Cc1nn(C)c(C(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000129247397 508703392 /nfs/dbraw/zinc/70/33/92/508703392.db2.gz SULRYABJYFMDGD-MRXNPFEDSA-N 1 0 371.441 2.512 20 5 FFBDRO O=C(CCN1CCOC[C@H]1c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000375597032 512412429 /nfs/dbraw/zinc/41/24/29/512412429.db2.gz JMXSMAFECXJRKF-SFHVURJKSA-N 1 0 355.394 2.997 20 5 FFBDRO COc1ccc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1[N+](=O)[O-] ZINC000154086293 508713896 /nfs/dbraw/zinc/71/38/96/508713896.db2.gz DTQKPJAORGWDIM-ZBFHGGJFSA-N 1 0 359.426 2.692 20 5 FFBDRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000158513537 508715452 /nfs/dbraw/zinc/71/54/52/508715452.db2.gz VMDMBYRAPLOLNB-TVQRCGJNSA-N 1 0 356.220 2.605 20 5 FFBDRO O=C(Nc1ccccc1)C1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000136894731 508723146 /nfs/dbraw/zinc/72/31/46/508723146.db2.gz GBMNWRSTRGVYRN-IBGZPJMESA-N 1 0 369.421 2.979 20 5 FFBDRO C[NH+](C)[C@H](CNC(=O)NCCc1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000136917664 508724854 /nfs/dbraw/zinc/72/48/54/508724854.db2.gz LYRIDWVJEUDMLJ-IBGZPJMESA-N 1 0 370.453 2.609 20 5 FFBDRO CCCc1n[nH]c(C(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000137507161 508757997 /nfs/dbraw/zinc/75/79/97/508757997.db2.gz QWMWUBHEIMJBLQ-UKRRQHHQSA-N 1 0 371.441 2.663 20 5 FFBDRO Cc1ccc(CCN2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)cc1 ZINC000123924904 508758681 /nfs/dbraw/zinc/75/86/81/508758681.db2.gz NNPOMRONZRXRQE-UHFFFAOYSA-N 1 0 359.451 2.965 20 5 FFBDRO C[C@@H]1C[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2Br)CC[N@@H+]1C ZINC000123977783 508766388 /nfs/dbraw/zinc/76/63/88/508766388.db2.gz GICDPHFVCUAYNX-MNOVXSKESA-N 1 0 370.247 2.912 20 5 FFBDRO Cc1sc(S(=O)(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000124211443 508798133 /nfs/dbraw/zinc/79/81/33/508798133.db2.gz YPLMBTJRWADLFU-CYBMUJFWSA-N 1 0 373.500 2.604 20 5 FFBDRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc([N+](=O)[O-])cc1Br ZINC000119476463 508803230 /nfs/dbraw/zinc/80/32/30/508803230.db2.gz IMEAKYDXKDLWFJ-JTQLQIEISA-N 1 0 368.231 2.571 20 5 FFBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[NH+](C2CCCCC2)CC1 ZINC000141742775 508818738 /nfs/dbraw/zinc/81/87/38/508818738.db2.gz QYZZNILGRLOMDA-HNNXBMFYSA-N 1 0 360.458 2.872 20 5 FFBDRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000144317224 508837173 /nfs/dbraw/zinc/83/71/73/508837173.db2.gz BKVSKLKRIXHOCY-SNVBAGLBSA-N 1 0 373.331 2.502 20 5 FFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000119677202 508841954 /nfs/dbraw/zinc/84/19/54/508841954.db2.gz UYOOUKDRAJTEKV-BEFAXECRSA-N 1 0 369.421 2.610 20 5 FFBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000131116377 508889786 /nfs/dbraw/zinc/88/97/86/508889786.db2.gz PURLVOVOLNCZFX-AWEZNQCLSA-N 1 0 356.426 2.752 20 5 FFBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)CCCNc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000155082956 508919252 /nfs/dbraw/zinc/91/92/52/508919252.db2.gz SUNBLNHTUSFDNZ-QAPCUYQASA-N 1 0 360.458 2.730 20 5 FFBDRO COc1ccc(C[NH+]2CCC(OC[C@@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000131617718 508954771 /nfs/dbraw/zinc/95/47/71/508954771.db2.gz LPPAJFHSTDBGBZ-OAHLLOKOSA-N 1 0 350.415 2.621 20 5 FFBDRO Cn1cc(C[NH2+]C[C@H]2CSCCS2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000151100444 508956861 /nfs/dbraw/zinc/95/68/61/508956861.db2.gz PGNYHYAPODFKMX-HNNXBMFYSA-N 1 0 364.496 2.934 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H]3CCCS3(=O)=O)o2)cc1 ZINC000131701512 508961361 /nfs/dbraw/zinc/96/13/61/508961361.db2.gz VDUAMIUBBOTFOZ-OAHLLOKOSA-N 1 0 350.396 2.522 20 5 FFBDRO CC(C)C(=O)NCCC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000120294336 508966494 /nfs/dbraw/zinc/96/64/94/508966494.db2.gz ARMMYCGRRVJNBA-UHFFFAOYSA-N 1 0 362.455 2.970 20 5 FFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@H]2CCCS2(=O)=O)o1 ZINC000131809194 508971478 /nfs/dbraw/zinc/97/14/78/508971478.db2.gz VEOSQGGVZIADIZ-CYBMUJFWSA-N 1 0 350.396 2.522 20 5 FFBDRO O=C(NC1CC[NH+](Cc2ccccn2)CC1)c1cc(F)ccc1[N+](=O)[O-] ZINC000160513403 508997207 /nfs/dbraw/zinc/99/72/07/508997207.db2.gz ODXWLZJFJXUNLF-UHFFFAOYSA-N 1 0 358.373 2.523 20 5 FFBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000160699741 509021905 /nfs/dbraw/zinc/02/19/05/509021905.db2.gz GIHHPMAPXBKZJJ-GFCCVEGCSA-N 1 0 356.220 2.571 20 5 FFBDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000160895752 509045326 /nfs/dbraw/zinc/04/53/26/509045326.db2.gz SOCYMTIFSJHWRT-VXGBXAGGSA-N 1 0 374.363 2.802 20 5 FFBDRO COc1ccc(NC(=O)CC[NH2+][C@H]2CC(C)(C)OC2(C)C)c([N+](=O)[O-])c1 ZINC000132597313 509050761 /nfs/dbraw/zinc/05/07/61/509050761.db2.gz HUOHTDBWXPEAQZ-HNNXBMFYSA-N 1 0 365.430 2.868 20 5 FFBDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000126127085 509065395 /nfs/dbraw/zinc/06/53/95/509065395.db2.gz XBFQCQFMSFUGFT-MRXNPFEDSA-N 1 0 360.458 2.783 20 5 FFBDRO O=C(NCCC[NH+]1CCCCCC1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000161090520 509069845 /nfs/dbraw/zinc/06/98/45/509069845.db2.gz GJMSXYPRYRGLNS-UHFFFAOYSA-N 1 0 371.441 2.776 20 5 FFBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000121007194 509108125 /nfs/dbraw/zinc/10/81/25/509108125.db2.gz AQQSGDRHZLQPAI-GWCFXTLKSA-N 1 0 370.247 2.770 20 5 FFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H](c1ccco1)N(C)C ZINC000121019401 509111311 /nfs/dbraw/zinc/11/13/11/509111311.db2.gz BDMNDEUPVUELMS-CZUORRHYSA-N 1 0 360.414 2.797 20 5 FFBDRO C[NH+](C)C[C@](C)(O)CNc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000133075843 509112769 /nfs/dbraw/zinc/11/27/69/509112769.db2.gz HDUHFFXRYMXGGI-GFCCVEGCSA-N 1 0 355.744 2.992 20 5 FFBDRO CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)[C@@H]1CCSC1 ZINC000121159227 509141575 /nfs/dbraw/zinc/14/15/75/509141575.db2.gz MRHYOICRBYSOMX-SNVBAGLBSA-N 1 0 374.260 2.733 20 5 FFBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](Oc2ccncc2)C1 ZINC000121318308 509166075 /nfs/dbraw/zinc/16/60/75/509166075.db2.gz WDPPJSFFZCCRGB-OAHLLOKOSA-N 1 0 359.407 2.762 20 5 FFBDRO C[C@@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000162246583 509181671 /nfs/dbraw/zinc/18/16/71/509181671.db2.gz FOVLPNUEJMIFFE-NSHDSACASA-N 1 0 370.247 2.819 20 5 FFBDRO COc1ccc([C@H](CNc2ncc([N+](=O)[O-])s2)[NH+](C)C)cc1OC ZINC000195505863 509200594 /nfs/dbraw/zinc/20/05/94/509200594.db2.gz CTHIGQQTGUZUBD-NSHDSACASA-N 1 0 352.416 2.783 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@H]3CCOC3)CC2)c(C(F)(F)F)c1 ZINC000263885669 509207525 /nfs/dbraw/zinc/20/75/25/509207525.db2.gz PHIVOHYKXMLFCP-GFCCVEGCSA-N 1 0 359.348 2.772 20 5 FFBDRO C[NH+](C)[C@H](CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000191884918 509229791 /nfs/dbraw/zinc/22/97/91/509229791.db2.gz ZCYIFYJLZPUDTO-QGZVFWFLSA-N 1 0 369.487 2.525 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](C)[C@@H]1COc2ccccc21 ZINC000185593745 509255676 /nfs/dbraw/zinc/25/56/76/509255676.db2.gz YCHYXPACWNUKPD-BBRMVZONSA-N 1 0 355.394 2.996 20 5 FFBDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000172831496 509260384 /nfs/dbraw/zinc/26/03/84/509260384.db2.gz CCRCEJKFRBYMPV-OAHLLOKOSA-N 1 0 371.441 2.727 20 5 FFBDRO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)c([N+](=O)[O-])c1 ZINC000266944796 509270795 /nfs/dbraw/zinc/27/07/95/509270795.db2.gz SIDKHURHZWKAPR-CYBMUJFWSA-N 1 0 373.413 2.535 20 5 FFBDRO COC(=O)C[C@@H]1CCC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000179122029 509273401 /nfs/dbraw/zinc/27/34/01/509273401.db2.gz SUMCGIJVVPVERK-AWEZNQCLSA-N 1 0 359.382 2.820 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)NCCC[N@H+](C)C(C)C)cc1SC ZINC000264056664 509308770 /nfs/dbraw/zinc/30/87/70/509308770.db2.gz CAIMFBILUMAORL-UHFFFAOYSA-N 1 0 355.460 2.785 20 5 FFBDRO C[C@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185697386 509310895 /nfs/dbraw/zinc/31/08/95/509310895.db2.gz ZUKWNLUWLYRZKR-LSDHHAIUSA-N 1 0 360.458 2.776 20 5 FFBDRO CCN(CCC[NH+](C)C)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000188940403 509334263 /nfs/dbraw/zinc/33/42/63/509334263.db2.gz FTZIYEMQQQPVSB-UHFFFAOYSA-N 1 0 365.477 2.955 20 5 FFBDRO Cc1cccc([C@@H]2CCC[N@@H+]2C[C@@H](O)COc2ccccc2[N+](=O)[O-])n1 ZINC000248472219 509336609 /nfs/dbraw/zinc/33/66/09/509336609.db2.gz WAMOLBFHFJLFSY-WBVHZDCISA-N 1 0 357.410 2.875 20 5 FFBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000192090701 509341835 /nfs/dbraw/zinc/34/18/35/509341835.db2.gz PZYWWZGUIYBSRG-GJZGRUSLSA-N 1 0 354.769 2.704 20 5 FFBDRO COC(=O)[C@@H](c1ccccc1C)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000163163825 509345853 /nfs/dbraw/zinc/34/58/53/509345853.db2.gz KOQDCDRWKQOBLH-KBXCAEBGSA-N 1 0 370.409 2.699 20 5 FFBDRO C[C@H]([NH3+])[C@H]1CN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)CCO1 ZINC000163199758 509351353 /nfs/dbraw/zinc/35/13/53/509351353.db2.gz HVRNCIYNJBOCGI-SCLBCKFNSA-N 1 0 370.409 2.527 20 5 FFBDRO Cc1cc(C)c(S(=O)(=O)N2CCC(CC[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000192126691 509358709 /nfs/dbraw/zinc/35/87/09/509358709.db2.gz ZUCVDKCBTMVWNS-UHFFFAOYSA-N 1 0 369.487 2.564 20 5 FFBDRO CCOC(=O)C[C@H](C)[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000182672709 509362821 /nfs/dbraw/zinc/36/28/21/509362821.db2.gz ZHGKZLSGISNYOV-ZDUSSCGKSA-N 1 0 351.403 2.505 20 5 FFBDRO C[C@H]1C[N@@H+](C2CCN(Cc3c(Cl)cccc3[N+](=O)[O-])CC2)CCO1 ZINC000163420104 509374827 /nfs/dbraw/zinc/37/48/27/509374827.db2.gz ZHEYENUVIQEZRU-ZDUSSCGKSA-N 1 0 353.850 2.933 20 5 FFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCC(=O)OC(C)(C)C ZINC000163569901 509394211 /nfs/dbraw/zinc/39/42/11/509394211.db2.gz IJPWZFTYAQUSHK-GFCCVEGCSA-N 1 0 351.403 2.633 20 5 FFBDRO Cn1cnc([N+](=O)[O-])c1NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000267252509 509412796 /nfs/dbraw/zinc/41/27/96/509412796.db2.gz ZRKXRZCEKBYOIP-UHFFFAOYSA-N 1 0 373.457 2.812 20 5 FFBDRO C[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)C1([NH+]2CCOCC2)CCCC1 ZINC000176279419 509418203 /nfs/dbraw/zinc/41/82/03/509418203.db2.gz UYNKNEFKAJCGEU-CQSZACIVSA-N 1 0 362.430 2.750 20 5 FFBDRO Cc1c(Br)c(N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)ncc1[N+](=O)[O-] ZINC000165843405 509584796 /nfs/dbraw/zinc/58/47/96/509584796.db2.gz DLIUBYGRRRJULW-AXFHLTTASA-N 1 0 355.236 2.624 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)c1 ZINC000264534361 509585713 /nfs/dbraw/zinc/58/57/13/509585713.db2.gz ZFSQLGQLBGZDFY-INIZCTEOSA-N 1 0 361.442 2.759 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000166333080 509603608 /nfs/dbraw/zinc/60/36/08/509603608.db2.gz CYTQRDRGYSGUOG-UHFFFAOYSA-N 1 0 369.487 2.646 20 5 FFBDRO COc1ccc(-c2ccc(C[NH2+][C@H]3CCCCNC3=O)o2)c([N+](=O)[O-])c1 ZINC000237440468 509648758 /nfs/dbraw/zinc/64/87/58/509648758.db2.gz SAJXDWXQNBLDRM-HNNXBMFYSA-N 1 0 359.382 2.622 20 5 FFBDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000237462405 509653996 /nfs/dbraw/zinc/65/39/96/509653996.db2.gz CLJDNPILORZCIR-HOTGVXAUSA-N 1 0 363.461 2.741 20 5 FFBDRO Cc1c(NC(=O)CC[NH2+][C@H](C)c2nnc3ccccn32)cccc1[N+](=O)[O-] ZINC000192813296 509654888 /nfs/dbraw/zinc/65/48/88/509654888.db2.gz YUTLBCVQKLWJGK-CYBMUJFWSA-N 1 0 368.397 2.625 20 5 FFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000173598911 509668130 /nfs/dbraw/zinc/66/81/30/509668130.db2.gz QELPZMXCFXLOMK-CQSZACIVSA-N 1 0 356.426 2.939 20 5 FFBDRO COc1ccc(NC(=O)C[NH2+][C@H]2CCCO[C@H]2CC(C)C)c([N+](=O)[O-])c1 ZINC000186364081 509670426 /nfs/dbraw/zinc/67/04/26/509670426.db2.gz BYUVBGUGXFKAOE-RDJZCZTQSA-N 1 0 365.430 2.725 20 5 FFBDRO C[C@@H]1C[C@@H]1[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000180026056 509714841 /nfs/dbraw/zinc/71/48/41/509714841.db2.gz UUZWDYLDPLRWBH-PWBULWKKSA-N 1 0 364.833 2.793 20 5 FFBDRO CCC[C@@H](O)C[NH2+]Cc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000264843696 509735976 /nfs/dbraw/zinc/73/59/76/509735976.db2.gz JJBKIIMFGKVIHN-LLVKDONJSA-N 1 0 366.336 2.795 20 5 FFBDRO C[C@H](NC(=O)CNc1ccccc1[N+](=O)[O-])[C@H](c1ccccc1)[NH+](C)C ZINC000186494293 509737832 /nfs/dbraw/zinc/73/78/32/509737832.db2.gz UFFCAEVQXLPFME-IFXJQAMLSA-N 1 0 356.426 2.814 20 5 FFBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000176914781 509762995 /nfs/dbraw/zinc/76/29/95/509762995.db2.gz COQXWHRKGIBWRP-OAHLLOKOSA-N 1 0 365.474 2.979 20 5 FFBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000176917461 509764550 /nfs/dbraw/zinc/76/45/50/509764550.db2.gz PWHUEXVHJJIGDD-AWEZNQCLSA-N 1 0 365.455 2.896 20 5 FFBDRO C[NH+](C)CCC1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CC1 ZINC000264908858 509769384 /nfs/dbraw/zinc/76/93/84/509769384.db2.gz NAWKBMBRTYSICX-UHFFFAOYSA-N 1 0 351.472 2.877 20 5 FFBDRO [NH3+][C@H](CCC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccccc1 ZINC000237908433 509771342 /nfs/dbraw/zinc/77/13/42/509771342.db2.gz INKZZKIHWNZVPJ-QGZVFWFLSA-N 1 0 368.437 2.724 20 5 FFBDRO C[C@H](CC[NH+](C)C)NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000264919260 509774873 /nfs/dbraw/zinc/77/48/73/509774873.db2.gz PKCQBIXCYZLMDQ-OAHLLOKOSA-N 1 0 351.450 2.611 20 5 FFBDRO C[C@@H](CC[NH+](C)C)NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000264919259 509775726 /nfs/dbraw/zinc/77/57/26/509775726.db2.gz PKCQBIXCYZLMDQ-HNNXBMFYSA-N 1 0 351.450 2.611 20 5 FFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000186576610 509780429 /nfs/dbraw/zinc/78/04/29/509780429.db2.gz UQQBKIDNMVVWQK-GOSISDBHSA-N 1 0 368.437 2.703 20 5 FFBDRO Cc1c([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cnn1C ZINC000183435125 509787088 /nfs/dbraw/zinc/78/70/88/509787088.db2.gz WAEKGDLYBOTZQN-ZJUUUORDSA-N 1 0 365.821 2.968 20 5 FFBDRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000237982394 509790404 /nfs/dbraw/zinc/79/04/04/509790404.db2.gz VRFARPPCFANSPT-QAPCUYQASA-N 1 0 363.461 2.788 20 5 FFBDRO C[N@@H+]1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])C2(CCCCC2)C1 ZINC000176994399 509807008 /nfs/dbraw/zinc/80/70/08/509807008.db2.gz UCJVLNLSSKNFSA-UHFFFAOYSA-N 1 0 361.442 2.841 20 5 FFBDRO O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCC[C@@H]1CCC[NH2+]C1 ZINC000238150954 509827744 /nfs/dbraw/zinc/82/77/44/509827744.db2.gz WQVCKFRWUWXQBA-INIZCTEOSA-N 1 0 363.461 2.661 20 5 FFBDRO C[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1cccc(-n2cccn2)c1 ZINC000183566934 509865669 /nfs/dbraw/zinc/86/56/69/509865669.db2.gz QCUBVYGEVQTSJJ-ZDUSSCGKSA-N 1 0 365.393 2.730 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCCC[NH+]1CCC(C)CC1 ZINC000193402064 509898643 /nfs/dbraw/zinc/89/86/43/509898643.db2.gz BQEDDCWXPKJFBT-UHFFFAOYSA-N 1 0 364.446 2.525 20 5 FFBDRO CCc1ccc([C@H]2C[NH2+]CCN2C(=O)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000261699220 510032516 /nfs/dbraw/zinc/03/25/16/510032516.db2.gz JOJNDYQVGBMMNX-LJQANCHMSA-N 1 0 353.422 2.873 20 5 FFBDRO CC(C)(CNC(=O)c1c(N)cccc1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000180709466 510065429 /nfs/dbraw/zinc/06/54/29/510065429.db2.gz AVIKDANXQBWZEZ-UHFFFAOYSA-N 1 0 368.437 2.744 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CC3CCOCC3)CC2)c2ncccc12 ZINC000265482147 510078640 /nfs/dbraw/zinc/07/86/40/510078640.db2.gz HWOZMDLPZAUVCM-UHFFFAOYSA-N 1 0 356.426 2.692 20 5 FFBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)CN1CCOCC1 ZINC000180781266 510104700 /nfs/dbraw/zinc/10/47/00/510104700.db2.gz GGWNUESXFXWJCM-ZDUSSCGKSA-N 1 0 367.471 2.546 20 5 FFBDRO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)Nc1ccncc1[N+](=O)[O-] ZINC000193874799 510109908 /nfs/dbraw/zinc/10/99/08/510109908.db2.gz NVGZTFVBZWGRBW-OAHLLOKOSA-N 1 0 355.398 2.633 20 5 FFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000265582493 510127279 /nfs/dbraw/zinc/12/72/79/510127279.db2.gz PVWUZZUEXLJZTO-OAHLLOKOSA-N 1 0 351.834 2.878 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC2CC[NH+](C(C)(C)C)CC2)c1C ZINC000193918414 510127413 /nfs/dbraw/zinc/12/74/13/510127413.db2.gz YTLDSDBDLIVFMI-UHFFFAOYSA-N 1 0 369.487 2.753 20 5 FFBDRO C[C@H](Nc1ccc(C(=O)NC[C@@H]([NH3+])C2CC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000261961880 510130953 /nfs/dbraw/zinc/13/09/53/510130953.db2.gz RZCLGWXASHWGLV-SWLSCSKDSA-N 1 0 369.425 2.630 20 5 FFBDRO COc1ccc(NC(=O)CC[N@@H+]2CCSC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000190466046 510146851 /nfs/dbraw/zinc/14/68/51/510146851.db2.gz PAGILDLQDKQPTD-GFCCVEGCSA-N 1 0 353.444 2.617 20 5 FFBDRO C[C@@H](NC(=O)CN(C)c1ccccc1[N+](=O)[O-])[C@H](c1ccccc1)[NH+](C)C ZINC000187258778 510155240 /nfs/dbraw/zinc/15/52/40/510155240.db2.gz GJGJNJVUZNAXIF-FOIQADDNSA-N 1 0 370.453 2.839 20 5 FFBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)c1nc(-c2ccc(C[NH3+])cc2)no1 ZINC000262067430 510166196 /nfs/dbraw/zinc/16/61/96/510166196.db2.gz RTNDUUSEPVUCBQ-CYBMUJFWSA-N 1 0 371.401 2.709 20 5 FFBDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000180901292 510172760 /nfs/dbraw/zinc/17/27/60/510172760.db2.gz WANDDPSJVCAKDR-GFCCVEGCSA-N 1 0 363.414 2.564 20 5 FFBDRO COc1ccccc1[C@@H]1C[NH2+]CCN1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000262263856 510224606 /nfs/dbraw/zinc/22/46/06/510224606.db2.gz RPCNQFCNDWRWHY-KRWDZBQOSA-N 1 0 357.410 2.759 20 5 FFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000177801543 510260033 /nfs/dbraw/zinc/26/00/33/510260033.db2.gz QJTUSRHTDMDTRK-CVEARBPZSA-N 1 0 358.442 2.868 20 5 FFBDRO [NH3+]C[C@@H]1CCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000262540028 510311975 /nfs/dbraw/zinc/31/19/75/510311975.db2.gz RWZXWQOIRZYAHS-HNNXBMFYSA-N 1 0 354.410 2.628 20 5 FFBDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000269299347 510329783 /nfs/dbraw/zinc/32/97/83/510329783.db2.gz XECOIKSUNOAYAH-NXEZZACHSA-N 1 0 356.220 2.557 20 5 FFBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC(CN3CCc4ccccc43)CC2)c1 ZINC000174857797 510347811 /nfs/dbraw/zinc/34/78/11/510347811.db2.gz IENDMNYYYMJDKO-UHFFFAOYSA-N 1 0 355.442 2.566 20 5 FFBDRO Cc1ccc([C@@H](C)[NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000177999456 510368286 /nfs/dbraw/zinc/36/82/86/510368286.db2.gz DYHCLHUJBNAYLA-GFCCVEGCSA-N 1 0 369.468 2.594 20 5 FFBDRO CCc1n[nH]c(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000171804413 510379770 /nfs/dbraw/zinc/37/97/70/510379770.db2.gz OPSVWLAWFXCNRQ-UHFFFAOYSA-N 1 0 371.441 2.522 20 5 FFBDRO O=C(C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)NCCc1ccccc1 ZINC000181397764 510391053 /nfs/dbraw/zinc/39/10/53/510391053.db2.gz BCEFOCKWLHQFGS-LJQANCHMSA-N 1 0 367.449 2.864 20 5 FFBDRO CC(C)c1ccc(C(=O)N2CC[NH+](C3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000187819849 510454636 /nfs/dbraw/zinc/45/46/36/510454636.db2.gz GSGWKUDLNAZECX-UHFFFAOYSA-N 1 0 361.442 2.655 20 5 FFBDRO Nc1c(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000178164490 510465678 /nfs/dbraw/zinc/46/56/78/510465678.db2.gz MCBWLWSWMAIHFV-HNNXBMFYSA-N 1 0 354.410 2.571 20 5 FFBDRO C[NH+](C)CCOc1ccccc1CNC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000194677183 510475771 /nfs/dbraw/zinc/47/57/71/510475771.db2.gz WGPNLAAWIXMBBT-UHFFFAOYSA-N 1 0 372.425 2.535 20 5 FFBDRO CC(C)c1n[nH]c(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000269606569 510481244 /nfs/dbraw/zinc/48/12/44/510481244.db2.gz QHLOSAZHFDPERQ-HNNXBMFYSA-N 1 0 371.441 2.788 20 5 FFBDRO C[C@@H](CNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)C[NH+]1CCCC1 ZINC000184733778 510490025 /nfs/dbraw/zinc/49/00/25/510490025.db2.gz TVFZPCAPCIJQTJ-LBPRGKRZSA-N 1 0 354.838 2.779 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(NCc2ccccc2C[NH+]2CCC(O)CC2)n1 ZINC000178241864 510505172 /nfs/dbraw/zinc/50/51/72/510505172.db2.gz XROCWSJWSYBKSS-UHFFFAOYSA-N 1 0 356.426 2.867 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000172115530 510552035 /nfs/dbraw/zinc/55/20/35/510552035.db2.gz PKJLKUVHEMMOQF-UHFFFAOYSA-N 1 0 354.410 2.693 20 5 FFBDRO C[C@@H](CS(C)(=O)=O)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000172121772 510553364 /nfs/dbraw/zinc/55/33/64/510553364.db2.gz GYPXLPAGWHQWBX-NSHDSACASA-N 1 0 354.453 2.846 20 5 FFBDRO CN(C)c1noc([C@H]2CCC[N@H+](C/C=C/c3ccccc3[N+](=O)[O-])C2)n1 ZINC000194928846 510594756 /nfs/dbraw/zinc/59/47/56/510594756.db2.gz GDOHAWULFYCOEM-PXTSUWAFSA-N 1 0 357.414 2.937 20 5 FFBDRO CN(C)c1noc([C@@H]2CCC[N@H+](C/C=C/c3ccccc3[N+](=O)[O-])C2)n1 ZINC000194928831 510595174 /nfs/dbraw/zinc/59/51/74/510595174.db2.gz GDOHAWULFYCOEM-SBJJXXPASA-N 1 0 357.414 2.937 20 5 FFBDRO COc1ccccc1CNC(=O)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181830167 510615953 /nfs/dbraw/zinc/61/59/53/510615953.db2.gz XXGBADBNNSUQPF-CQSZACIVSA-N 1 0 357.410 2.879 20 5 FFBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)NC(=O)NC2CCCCC2)cc1[N+](=O)[O-] ZINC000181833478 510617974 /nfs/dbraw/zinc/61/79/74/510617974.db2.gz SYGOHYLIZWBDPO-ZDUSSCGKSA-N 1 0 362.430 2.712 20 5 FFBDRO Cc1c(NC(=O)[C@H](C)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cccc1[N+](=O)[O-] ZINC000246710721 510628874 /nfs/dbraw/zinc/62/88/74/510628874.db2.gz FFFILKRZSWGHFJ-MPGHIAIKSA-N 1 0 360.458 2.646 20 5 FFBDRO CN(CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCc2ccccc2C1 ZINC000181884116 510640073 /nfs/dbraw/zinc/64/00/73/510640073.db2.gz ADNWJXGLHOOMJL-GOSISDBHSA-N 1 0 374.462 2.858 20 5 FFBDRO CC(=O)Nc1cccc2c1CC[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000178577410 510671748 /nfs/dbraw/zinc/67/17/48/510671748.db2.gz IBRLIRPYGIHSIH-LJQANCHMSA-N 1 0 355.394 2.645 20 5 FFBDRO CN(Cc1ccc([N+](=O)[O-])cc1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188280843 510686915 /nfs/dbraw/zinc/68/69/15/510686915.db2.gz DEUCYHUQCXSIIG-HXUWFJFHSA-N 1 0 355.438 2.664 20 5 FFBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000188294600 510693717 /nfs/dbraw/zinc/69/37/17/510693717.db2.gz VWAKRLKPMDSNCZ-OAQYLSRUSA-N 1 0 369.465 2.706 20 5 FFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000185298452 510795210 /nfs/dbraw/zinc/79/52/10/510795210.db2.gz LNEGVGVUBPTELS-LJQANCHMSA-N 1 0 368.437 2.939 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](Nc3ccccc3)C2)c1 ZINC000247032404 510809749 /nfs/dbraw/zinc/80/97/49/510809749.db2.gz ZVUUJJYWPSQMHX-IEBWSBKVSA-N 1 0 371.437 2.911 20 5 FFBDRO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000247071009 510825174 /nfs/dbraw/zinc/82/51/74/510825174.db2.gz IWOGOPDOCXJNGW-GOEBONIOSA-N 1 0 360.458 2.654 20 5 FFBDRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000185412447 510839035 /nfs/dbraw/zinc/83/90/35/510839035.db2.gz PFHOGGWIOYMNPR-HNNXBMFYSA-N 1 0 371.441 2.775 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@H]2CCCc2ccccc2)c1 ZINC000247342018 510857833 /nfs/dbraw/zinc/85/78/33/510857833.db2.gz XPQLDRBKMVNVKR-IEBWSBKVSA-N 1 0 358.442 2.640 20 5 FFBDRO O=C(NCCCCC[NH+]1CCCC1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000294029375 510934808 /nfs/dbraw/zinc/93/48/08/510934808.db2.gz WKFUXMAUFBIMCY-UHFFFAOYSA-N 1 0 372.425 2.845 20 5 FFBDRO CS(=O)(=O)C1(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCCC1 ZINC000285631138 510986106 /nfs/dbraw/zinc/98/61/06/510986106.db2.gz KJBNXARREZUWIC-MRXNPFEDSA-N 1 0 366.483 2.863 20 5 FFBDRO Cc1nc2sccn2c(=O)c1CC[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000285671827 511004158 /nfs/dbraw/zinc/00/41/58/511004158.db2.gz PVXXMMXWEJDRTI-LLVKDONJSA-N 1 0 358.423 2.866 20 5 FFBDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)C2)C1 ZINC000294372812 511042817 /nfs/dbraw/zinc/04/28/17/511042817.db2.gz ZMWQYUFARXSWCG-IBGZPJMESA-N 1 0 358.442 2.727 20 5 FFBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000270976785 511045039 /nfs/dbraw/zinc/04/50/39/511045039.db2.gz ITGYBNRNLAHXFM-OAHLLOKOSA-N 1 0 374.485 2.997 20 5 FFBDRO CS(=O)(=O)CC1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000294428475 511060429 /nfs/dbraw/zinc/06/04/29/511060429.db2.gz UQPOKOAGNCYAHF-UHFFFAOYSA-N 1 0 360.863 2.941 20 5 FFBDRO C[C@@H]1C[C@H](N(C)C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000279408200 511073273 /nfs/dbraw/zinc/07/32/73/511073273.db2.gz XBLXCHDOPRWBKL-ZYHUDNBSSA-N 1 0 357.813 2.871 20 5 FFBDRO CN(c1ccc(NC(=O)CCC(C)(C)[N+](=O)[O-])cc1)C1CC[NH+](C)CC1 ZINC000294481549 511079113 /nfs/dbraw/zinc/07/91/13/511079113.db2.gz OAQAZVUMLGVQJU-UHFFFAOYSA-N 1 0 362.474 2.991 20 5 FFBDRO CC[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2SCCOC)CC1 ZINC000271096748 511081748 /nfs/dbraw/zinc/08/17/48/511081748.db2.gz WDTLMHZIQZNSSP-UHFFFAOYSA-N 1 0 367.471 2.501 20 5 FFBDRO COc1cc(C[NH+]2CCC(C3(C)OCCO3)CC2)c([N+](=O)[O-])cc1OC ZINC000271179182 511110495 /nfs/dbraw/zinc/11/04/95/511110495.db2.gz LGTFCMALHYRPEK-UHFFFAOYSA-N 1 0 366.414 2.587 20 5 FFBDRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000294593245 511113806 /nfs/dbraw/zinc/11/38/06/511113806.db2.gz QSJUATDPTCRGAM-JTQLQIEISA-N 1 0 357.332 2.828 20 5 FFBDRO COC(=O)c1oc([C@@H](C)N2CCN(c3ncccc3[N+](=O)[O-])CC2)cc1C ZINC000298027800 511147864 /nfs/dbraw/zinc/14/78/64/511147864.db2.gz FLHXWSKTBRNYEV-CYBMUJFWSA-N 1 0 374.397 2.561 20 5 FFBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000279683101 511175873 /nfs/dbraw/zinc/17/58/73/511175873.db2.gz AOOFZRIUNKMCQG-ABAIWWIYSA-N 1 0 369.824 2.873 20 5 FFBDRO Cc1cc(NCc2nnc(C3CC3)[nH]2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000294854021 511199534 /nfs/dbraw/zinc/19/95/34/511199534.db2.gz BKCXMUNMHAUHRJ-UHFFFAOYSA-N 1 0 351.370 2.968 20 5 FFBDRO CCOC1(C)CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000298182621 511201447 /nfs/dbraw/zinc/20/14/47/511201447.db2.gz ADYLNZSTOVKVFC-UHFFFAOYSA-N 1 0 365.430 2.823 20 5 FFBDRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000283019864 511202276 /nfs/dbraw/zinc/20/22/76/511202276.db2.gz GVDOIGVCKIWQFR-GMTAPVOTSA-N 1 0 371.821 2.753 20 5 FFBDRO Cc1ccc(-c2n[nH]cc2C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)o1 ZINC000365118895 511268368 /nfs/dbraw/zinc/26/83/68/511268368.db2.gz XKFQFKVJUXUTLA-UHFFFAOYSA-N 1 0 356.386 2.920 20 5 FFBDRO C[C@@H]1[C@@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000291678542 511294487 /nfs/dbraw/zinc/29/44/87/511294487.db2.gz CCGRDFZDNIAUAR-CJNGLKHVSA-N 1 0 354.410 2.570 20 5 FFBDRO COc1cc(C[NH2+]CC[C@@H](C)CCO)c([N+](=O)[O-])cc1OCC(F)F ZINC000295209893 511322623 /nfs/dbraw/zinc/32/26/23/511322623.db2.gz ZXCBXHRIBFIGQO-LLVKDONJSA-N 1 0 362.373 2.746 20 5 FFBDRO COc1cc(C[N@@H+]2CCC[C@](C)(O)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000280096576 511334166 /nfs/dbraw/zinc/33/41/66/511334166.db2.gz OULBBORONVCRMF-KRWDZBQOSA-N 1 0 374.384 2.984 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N(C)Cc1cn2c(n1)CCCC2 ZINC000365287762 511361631 /nfs/dbraw/zinc/36/16/31/511361631.db2.gz SQAPWVDUEANKOZ-UHFFFAOYSA-N 1 0 359.386 2.800 20 5 FFBDRO C[NH+]1CCN(CCCNC(=O)c2cc3ccccc3c3cccnc23)CC1 ZINC000298775738 511407215 /nfs/dbraw/zinc/40/72/15/511407215.db2.gz FYOGJYUCTOUSLV-UHFFFAOYSA-N 1 0 362.477 2.755 20 5 FFBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000292058710 511448922 /nfs/dbraw/zinc/44/89/22/511448922.db2.gz BMTHXDYRJZGVAW-LSDHHAIUSA-N 1 0 360.458 2.728 20 5 FFBDRO Nc1ccc(C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)cc1[N+](=O)[O-] ZINC000363272588 511455322 /nfs/dbraw/zinc/45/53/22/511455322.db2.gz GSNKOVWDBRCBKC-UHFFFAOYSA-N 1 0 372.400 2.711 20 5 FFBDRO C[N@@H+]1CC[C@@]2(CCN(Cc3ccc(Br)c([N+](=O)[O-])c3)C2)C1 ZINC000292106807 511467918 /nfs/dbraw/zinc/46/79/18/511467918.db2.gz IOXSROHFCFGVOS-OAHLLOKOSA-N 1 0 354.248 2.885 20 5 FFBDRO C[C@H](Nc1ccc(C(=O)NCCC[NH+](C)C)cc1[N+](=O)[O-])c1ccccn1 ZINC000299021911 511487956 /nfs/dbraw/zinc/48/79/56/511487956.db2.gz GSARDHPRSJAKHW-AWEZNQCLSA-N 1 0 371.441 2.844 20 5 FFBDRO COc1cc(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c([N+](=O)[O-])cc1F ZINC000295717044 511494087 /nfs/dbraw/zinc/49/40/87/511494087.db2.gz NHEJBZRSLSJTOA-UHFFFAOYSA-N 1 0 353.394 2.782 20 5 FFBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)NCCc3ccc(Cl)cc3[N+](=O)[O-])C2)C1 ZINC000292177833 511494599 /nfs/dbraw/zinc/49/45/99/511494599.db2.gz FCFRFFZZVNAQOS-KRWDZBQOSA-N 1 0 366.849 2.528 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000296013420 511588407 /nfs/dbraw/zinc/58/84/07/511588407.db2.gz NQMXLOORRQLIRP-QGTPRVQTSA-N 1 0 359.426 2.779 20 5 FFBDRO CN1CCO[C@@H]2CCN(Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)C[C@@H]21 ZINC000284208941 511642288 /nfs/dbraw/zinc/64/22/88/511642288.db2.gz CCHXBFMBVMFXRP-DLBZAZTESA-N 1 0 374.466 2.623 20 5 FFBDRO CCOc1ccc([C@@H](O)C2CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)cc1 ZINC000365833954 511677251 /nfs/dbraw/zinc/67/72/51/511677251.db2.gz RBOFLUUTGKIGCX-LJQANCHMSA-N 1 0 374.441 2.636 20 5 FFBDRO CCN(C(=O)[C@H](C)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1ccccc1 ZINC000365843248 511682107 /nfs/dbraw/zinc/68/21/07/511682107.db2.gz DOKWPLBFJXTFID-HNNXBMFYSA-N 1 0 371.441 2.870 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)CCOc2cc(C)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000281157866 511741590 /nfs/dbraw/zinc/74/15/90/511741590.db2.gz CHELTEWVFGWGKW-HOTGVXAUSA-N 1 0 363.458 2.861 20 5 FFBDRO CC1(C)[C@H]([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H]2CCO[C@H]21 ZINC000296477774 511760049 /nfs/dbraw/zinc/76/00/49/511760049.db2.gz YEKASMLYMYNZJG-COLVAYQJSA-N 1 0 353.806 2.590 20 5 FFBDRO Cc1nc(N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)ccc1[N+](=O)[O-] ZINC000284563796 511773358 /nfs/dbraw/zinc/77/33/58/511773358.db2.gz GDNJQMPREIKURF-KBXCAEBGSA-N 1 0 358.446 2.551 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])c(-c2nc([C@@H]3C[N@@H+]4CCC[C@@]4(C)CO3)no2)c1 ZINC000350338570 511782148 /nfs/dbraw/zinc/78/21/48/511782148.db2.gz JQMHROLUCRMZET-YJBOKZPZSA-N 1 0 374.397 2.969 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)n1 ZINC000312597579 511785893 /nfs/dbraw/zinc/78/58/93/511785893.db2.gz FIHSRZPESIZCOC-DZGCQCFKSA-N 1 0 370.409 2.851 20 5 FFBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1N)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000313072430 511787941 /nfs/dbraw/zinc/78/79/41/511787941.db2.gz VPYPMRJWGUBJNJ-GDBMZVCRSA-N 1 0 368.437 2.817 20 5 FFBDRO CCC(=O)c1ccc(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000281433444 511845861 /nfs/dbraw/zinc/84/58/61/511845861.db2.gz JNIRBJNTYUIFIB-CQSZACIVSA-N 1 0 361.442 2.877 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N(C)CCC[NH+]2CCCC2)cc1SC ZINC000281564182 511891244 /nfs/dbraw/zinc/89/12/44/511891244.db2.gz AEPKLDDYVHZMCW-UHFFFAOYSA-N 1 0 367.471 2.883 20 5 FFBDRO O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cn1 ZINC000366198521 511895947 /nfs/dbraw/zinc/89/59/47/511895947.db2.gz VFHPDRTWFUQDCD-INIZCTEOSA-N 1 0 354.410 2.632 20 5 FFBDRO CC[NH2+]Cc1cccc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)c1 ZINC000296878655 511933862 /nfs/dbraw/zinc/93/38/62/511933862.db2.gz FIJDHGJNQJFSSQ-UHFFFAOYSA-N 1 0 357.366 2.728 20 5 FFBDRO O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000364060077 511936344 /nfs/dbraw/zinc/93/63/44/511936344.db2.gz KOSYAPMQVMJUBH-QGZVFWFLSA-N 1 0 372.469 2.895 20 5 FFBDRO CN(Cc1nc(-c2ccn3c[nH+]cc3c2)no1)c1ccccc1[N+](=O)[O-] ZINC000351085821 511950426 /nfs/dbraw/zinc/95/04/26/511950426.db2.gz YBFUTIFIWGPQDU-UHFFFAOYSA-N 1 0 350.338 2.929 20 5 FFBDRO CCC(=O)c1ccc(N[C@H]2CCN(C3CC[NH+](C)CC3)C2)c([N+](=O)[O-])c1 ZINC000366430237 512018160 /nfs/dbraw/zinc/01/81/60/512018160.db2.gz ICOUJTODVSCRBA-HNNXBMFYSA-N 1 0 360.458 2.768 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000366431815 512020469 /nfs/dbraw/zinc/02/04/69/512020469.db2.gz SUFYFSIHUIQTDW-KCXAZCMYSA-N 1 0 367.833 2.572 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N3CC[C@H]4[NH2+]CC[C@H]4C3)cc2[N+](=O)[O-])CC1 ZINC000293592984 512020859 /nfs/dbraw/zinc/02/08/59/512020859.db2.gz ZGMXHJBRPIFWJN-DLBZAZTESA-N 1 0 372.469 2.655 20 5 FFBDRO COc1ccc([C@@H]2CCN(C(=O)c3ccccc3[N+](=O)[O-])C[C@H]2[NH3+])cc1F ZINC000297186236 512052256 /nfs/dbraw/zinc/05/22/56/512052256.db2.gz LLGKGCAZJNWPMJ-XJKSGUPXSA-N 1 0 373.384 2.700 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000411114542 512474720 /nfs/dbraw/zinc/47/47/20/512474720.db2.gz PCITUKIDPUDHQH-UHFFFAOYSA-N 1 0 363.439 2.869 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+]1CCC(Cc2cccnc2)CC1 ZINC000371688310 512528190 /nfs/dbraw/zinc/52/81/90/512528190.db2.gz FVELRWKZJNRVQG-SFHVURJKSA-N 1 0 371.437 2.684 20 5 FFBDRO C[C@@H](NC(=O)[C@H](C)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1ccccc1 ZINC000369692636 512557535 /nfs/dbraw/zinc/55/75/35/512557535.db2.gz OBAXBKQJUYYHBF-CABCVRRESA-N 1 0 371.441 2.694 20 5 FFBDRO C[N@@H+]1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000411419844 512628090 /nfs/dbraw/zinc/62/80/90/512628090.db2.gz PJVYOAXWXWGYDR-LJQANCHMSA-N 1 0 368.437 2.912 20 5 FFBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC(c2cccc(F)c2F)CC1 ZINC000372152314 512736128 /nfs/dbraw/zinc/73/61/28/512736128.db2.gz HEKWQDCLBLLHEV-UHFFFAOYSA-N 1 0 363.364 2.914 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCCC[C@@H]1CCO ZINC000411706577 512770829 /nfs/dbraw/zinc/77/08/29/512770829.db2.gz XRISDWQHKPBDLC-CQSZACIVSA-N 1 0 365.430 2.559 20 5 FFBDRO CCOC(=O)C1(COC)CC[NH+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000370111261 512772680 /nfs/dbraw/zinc/77/26/80/512772680.db2.gz JZCJZBOXQHBQBL-CQSZACIVSA-N 1 0 350.415 2.948 20 5 FFBDRO Cc1c(NC(=O)CC[NH+]2CCC(c3cn[nH]c3)CC2)cccc1[N+](=O)[O-] ZINC000376487922 512840224 /nfs/dbraw/zinc/84/02/24/512840224.db2.gz ZCLBUWANJQDXJN-UHFFFAOYSA-N 1 0 357.414 2.835 20 5 FFBDRO CNc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000380467297 512873285 /nfs/dbraw/zinc/87/32/85/512873285.db2.gz QGUCLXUUMAPSQZ-QGZVFWFLSA-N 1 0 368.437 2.983 20 5 FFBDRO Cc1nnc([C@H]2CC[N@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C2)[nH]1 ZINC000412041365 512925945 /nfs/dbraw/zinc/92/59/45/512925945.db2.gz MQCSJAVKHJNDTI-AWEZNQCLSA-N 1 0 368.397 2.708 20 5 FFBDRO COC(=O)[C@@]1(C)CCC[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000412059484 512936759 /nfs/dbraw/zinc/93/67/59/512936759.db2.gz CMANAABZGOXUGT-SFHVURJKSA-N 1 0 363.414 2.507 20 5 FFBDRO O=C(CC[N@@H+]1CCOCC2(CCC2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000370444589 512938369 /nfs/dbraw/zinc/93/83/69/512938369.db2.gz MNZKMJNMBUVNIW-UHFFFAOYSA-N 1 0 351.378 2.565 20 5 FFBDRO Cc1cc(C(=O)N2C[C@H](C[NH+](C)C)Oc3ccccc32)ccc1[N+](=O)[O-] ZINC000370502614 512966492 /nfs/dbraw/zinc/96/64/92/512966492.db2.gz HMZNENUOFFFUME-HNNXBMFYSA-N 1 0 355.394 2.873 20 5 FFBDRO C[NH+](C)C[C@@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)c2ccccc2O1 ZINC000370502349 512967255 /nfs/dbraw/zinc/96/72/55/512967255.db2.gz CTEGGBHJZKKCLC-QGZVFWFLSA-N 1 0 369.421 2.883 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)c1F ZINC000412122219 512969800 /nfs/dbraw/zinc/96/98/00/512969800.db2.gz DOXSPADZKDBIPS-HNNXBMFYSA-N 1 0 369.437 2.768 20 5 FFBDRO COc1cc(C[N@@H+]2CC[C@@H](C3CCOCC3)C2)c([N+](=O)[O-])cc1OC ZINC000370722209 513069919 /nfs/dbraw/zinc/06/99/19/513069919.db2.gz SGHPPXFKXZSJKB-CQSZACIVSA-N 1 0 350.415 2.861 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)NC[C@H]3CCC[NH2+]C3)cc2[N+](=O)[O-])C1 ZINC000428621266 513145684 /nfs/dbraw/zinc/14/56/84/513145684.db2.gz QSQVZGGVEVXSEM-CABCVRRESA-N 1 0 360.458 2.561 20 5 FFBDRO C[NH+](C)C1(CNC(=O)CCc2cccc([N+](=O)[O-])c2)Cc2ccccc2C1 ZINC000446036698 513169121 /nfs/dbraw/zinc/16/91/21/513169121.db2.gz UWVNESPTZJLWDF-UHFFFAOYSA-N 1 0 367.449 2.743 20 5 FFBDRO COc1cc(C[NH2+][C@@H]2C[C@H]3OCCC[C@@H]23)c([N+](=O)[O-])cc1OCC(F)F ZINC000439785343 513183313 /nfs/dbraw/zinc/18/33/13/513183313.db2.gz YMOTYUNHTPAWGQ-OUCADQQQSA-N 1 0 372.368 2.904 20 5 FFBDRO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000417758194 513196192 /nfs/dbraw/zinc/19/61/92/513196192.db2.gz CCIIINFGFREWAT-QGZVFWFLSA-N 1 0 360.458 2.557 20 5 FFBDRO CCC[N@@H+]1CC[C@@H](CNC(=O)Nc2cc([N+](=O)[O-])ccc2OCC)C1 ZINC000439883652 513203727 /nfs/dbraw/zinc/20/37/27/513203727.db2.gz PVYIJTMXTQJAQM-ZDUSSCGKSA-N 1 0 350.419 2.847 20 5 FFBDRO C[C@H](O)C[N@@H+]1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)[C@@H](C)C1 ZINC000450459020 513204302 /nfs/dbraw/zinc/20/43/02/513204302.db2.gz VTXBGMDCMNBDQZ-STQMWFEESA-N 1 0 362.455 2.610 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000439889951 513204964 /nfs/dbraw/zinc/20/49/64/513204964.db2.gz YHUPSNRNGUILMB-UHFFFAOYSA-N 1 0 362.430 2.989 20 5 FFBDRO CC(C)[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)C[C@@H](O)CO ZINC000421410200 513253398 /nfs/dbraw/zinc/25/33/98/513253398.db2.gz OUQQRPDBTGXFLO-CYBMUJFWSA-N 1 0 350.440 2.887 20 5 FFBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@@H](C)C1 ZINC000429012728 513253506 /nfs/dbraw/zinc/25/35/06/513253506.db2.gz VBJJGKZGCYJVBE-CPUCHLNUSA-N 1 0 371.441 2.807 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000429024027 513259590 /nfs/dbraw/zinc/25/95/90/513259590.db2.gz GKGYHMQRHGBYCR-JLJPHGGASA-N 1 0 360.458 2.504 20 5 FFBDRO O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000415443101 513263603 /nfs/dbraw/zinc/26/36/03/513263603.db2.gz QPTQZDMNUMOTTQ-CABZTGNLSA-N 1 0 358.320 2.829 20 5 FFBDRO O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000415453181 513268398 /nfs/dbraw/zinc/26/83/98/513268398.db2.gz YYBRQYQVUDHLTD-VHSXEESVSA-N 1 0 358.320 2.687 20 5 FFBDRO COc1ccc(OCCN2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000429046937 513268393 /nfs/dbraw/zinc/26/83/93/513268393.db2.gz XZRLEYMNYUZBCT-YQQAZPJKSA-N 1 0 363.458 2.644 20 5 FFBDRO C[C@H]1CCCN(c2ccc(C(=O)NCC[C@H]3CCC[NH2+]C3)cc2[N+](=O)[O-])C1 ZINC000429208631 513305917 /nfs/dbraw/zinc/30/59/17/513305917.db2.gz ADHRONOQAVUALZ-JKSUJKDBSA-N 1 0 374.485 2.951 20 5 FFBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000440419171 513316701 /nfs/dbraw/zinc/31/67/01/513316701.db2.gz CQQMVARPZFJKBF-LBPRGKRZSA-N 1 0 363.439 2.655 20 5 FFBDRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000450743232 513320481 /nfs/dbraw/zinc/32/04/81/513320481.db2.gz GGUUUUVGFZTXFZ-HNNXBMFYSA-N 1 0 371.441 2.775 20 5 FFBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)NCCc3ccc(Cl)cc3[N+](=O)[O-])C[C@H]21 ZINC000417991484 513320777 /nfs/dbraw/zinc/32/07/77/513320777.db2.gz NGBSTHUGNFJROD-NWANDNLSSA-N 1 0 366.849 2.560 20 5 FFBDRO CC(C)C[C@H](C[NH3+])NC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000429341344 513345915 /nfs/dbraw/zinc/34/59/15/513345915.db2.gz ZUFAZECKCUGJEM-GDBMZVCRSA-N 1 0 362.474 2.934 20 5 FFBDRO C[NH+](C)C1CCC(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000421679558 513366760 /nfs/dbraw/zinc/36/67/60/513366760.db2.gz LSCHDDAZPMQRFJ-UHFFFAOYSA-N 1 0 370.247 2.960 20 5 FFBDRO C[C@@H](NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H]1CCC[NH2+]C1 ZINC000418087044 513367674 /nfs/dbraw/zinc/36/76/74/513367674.db2.gz FWAZTCDBSRIRJX-ZYHUDNBSSA-N 1 0 374.363 2.801 20 5 FFBDRO Cc1c(NC(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)cc(Br)cc1[N+](=O)[O-] ZINC000415661288 513367639 /nfs/dbraw/zinc/36/76/39/513367639.db2.gz QBZWNASTTPEFQO-VHSXEESVSA-N 1 0 371.235 2.867 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000415660657 513367951 /nfs/dbraw/zinc/36/79/51/513367951.db2.gz POKJLDUIDOHHQE-UHFFFAOYSA-N 1 0 356.382 2.918 20 5 FFBDRO Cc1c(NC(=O)NC2(C)CC[NH2+]CC2)cc(Br)cc1[N+](=O)[O-] ZINC000415663277 513368330 /nfs/dbraw/zinc/36/83/30/513368330.db2.gz VYGYXECQYQMLSY-UHFFFAOYSA-N 1 0 371.235 2.929 20 5 FFBDRO CC(C)(C)CC(C)(C)[NH+]1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000450879170 513381162 /nfs/dbraw/zinc/38/11/62/513381162.db2.gz NCZVDIMUIZIORX-UHFFFAOYSA-N 1 0 360.462 2.974 20 5 FFBDRO CC1(C)[NH2+]CC[C@@H]1NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415689213 513382172 /nfs/dbraw/zinc/38/21/72/513382172.db2.gz CUCCQISJAJYTME-NSHDSACASA-N 1 0 357.208 2.619 20 5 FFBDRO O=C(NCC[C@H]1CCC[NH2+]1)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415700917 513388647 /nfs/dbraw/zinc/38/86/47/513388647.db2.gz NKFQZCDANGKRRW-SNVBAGLBSA-N 1 0 357.208 2.621 20 5 FFBDRO Cc1cc(C)c(S(=O)(=O)NCc2ccc([C@H](C)[NH3+])cc2)cc1[N+](=O)[O-] ZINC000440765030 513401050 /nfs/dbraw/zinc/40/10/50/513401050.db2.gz WCGOWMFUCKPTEK-ZDUSSCGKSA-N 1 0 363.439 2.710 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N3CC[NH2+][C@@H](C)[C@@H]3C)cc2[N+](=O)[O-])C1 ZINC000434715298 513406270 /nfs/dbraw/zinc/40/62/70/513406270.db2.gz XNNKBBVUBUFETK-ILXRZTDVSA-N 1 0 360.458 2.654 20 5 FFBDRO C[C@@H]1C[N@@H+](C2CCN(c3ncc([N+](=O)[O-])cc3C(F)(F)F)CC2)CCO1 ZINC000413073870 513426903 /nfs/dbraw/zinc/42/69/03/513426903.db2.gz IUAIADYQSGHWRD-LLVKDONJSA-N 1 0 374.363 2.698 20 5 FFBDRO COc1ccc(OCC[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000447507336 513491894 /nfs/dbraw/zinc/49/18/94/513491894.db2.gz MSSPJMVSIXGWEI-SJORKVTESA-N 1 0 360.414 2.952 20 5 FFBDRO CC(C)(C)OC(=O)CCC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447530890 513498401 /nfs/dbraw/zinc/49/84/01/513498401.db2.gz PSEWDKZNYULCBL-KBPBESRZSA-N 1 0 352.435 2.987 20 5 FFBDRO CN(Cc1ccccc1)C(=O)C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447538536 513501803 /nfs/dbraw/zinc/50/18/03/513501803.db2.gz BVYDGJFACLXCLS-DLBZAZTESA-N 1 0 371.441 2.523 20 5 FFBDRO CCOC1CC(O)(C[NH2+][C@@H](CC)CSc2ccccc2[N+](=O)[O-])C1 ZINC000447555076 513506280 /nfs/dbraw/zinc/50/62/80/513506280.db2.gz BPLXYYBYRWFCSA-CBCUQQMYSA-N 1 0 354.472 2.985 20 5 FFBDRO Cc1c(NC(=O)CC[N@@H+]2CCC[C@H]([C@@H]3CCOC3)C2)cccc1[N+](=O)[O-] ZINC000441193833 513509839 /nfs/dbraw/zinc/50/98/39/513509839.db2.gz IAIWETVOMLRVAV-JKSUJKDBSA-N 1 0 361.442 2.980 20 5 FFBDRO CCC([NH3+])(CC)CNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000418437425 513510856 /nfs/dbraw/zinc/51/08/56/513510856.db2.gz KXLBTFMMWNFVAJ-UHFFFAOYSA-N 1 0 364.446 2.665 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCC1CCS(=O)(=O)CC1)CCC2 ZINC000447577680 513512818 /nfs/dbraw/zinc/51/28/18/513512818.db2.gz AYRJORAPGCSDRT-QGZVFWFLSA-N 1 0 352.456 2.777 20 5 FFBDRO Cn1nc(CC[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c2ccccc21 ZINC000447593120 513517430 /nfs/dbraw/zinc/51/74/30/513517430.db2.gz PZSYIKUGASEQFN-FUHWJXTLSA-N 1 0 368.441 2.994 20 5 FFBDRO C[C@@H](O)C[N@H+](Cc1c([N+](=O)[O-])ncn1C)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000441285140 513530181 /nfs/dbraw/zinc/53/01/81/513530181.db2.gz YDDVSBAZDRSZPW-QWHCGFSZSA-N 1 0 366.849 2.796 20 5 FFBDRO C[C@@H]([NH3+])c1ccc(CNC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000418497437 513532875 /nfs/dbraw/zinc/53/28/75/513532875.db2.gz WIDDTKGVTJWIKH-CQSZACIVSA-N 1 0 356.426 2.999 20 5 FFBDRO COCCC[N@H+](CCOC)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425401791 513547190 /nfs/dbraw/zinc/54/71/90/513547190.db2.gz FJVKXMNFHAGAAW-UHFFFAOYSA-N 1 0 361.236 2.842 20 5 FFBDRO Cn1ccnc1CN(Cc1ccc([N+](=O)[O-])cc1F)[C@@H]1CC12CC[NH2+]CC2 ZINC000435432566 513584977 /nfs/dbraw/zinc/58/49/77/513584977.db2.gz NRYKXPYHJHXWSF-QGZVFWFLSA-N 1 0 373.432 2.612 20 5 FFBDRO O=C(NCC[NH+]1CCC2(CCCCC2)CC1)Nc1ccncc1[N+](=O)[O-] ZINC000441779903 513621863 /nfs/dbraw/zinc/62/18/63/513621863.db2.gz WPFAAWVRNMSWQH-UHFFFAOYSA-N 1 0 361.446 2.580 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435577433 513622342 /nfs/dbraw/zinc/62/23/42/513622342.db2.gz UOPPRXKRAXIUHB-OAHLLOKOSA-N 1 0 372.450 2.836 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000451342294 513688408 /nfs/dbraw/zinc/68/84/08/513688408.db2.gz MKJQLUNJDGLUNP-JQHSSLGASA-N 1 0 361.442 2.857 20 5 FFBDRO CNC(=O)c1ccc(N2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000413539040 513705102 /nfs/dbraw/zinc/70/51/02/513705102.db2.gz YLEHCBDCAKPNQA-HNNXBMFYSA-N 1 0 368.437 2.665 20 5 FFBDRO NC(=O)C1CC[NH+](Cc2ccc(CNc3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC000413585680 513725483 /nfs/dbraw/zinc/72/54/83/513725483.db2.gz SBEPUNDTUKDHHR-UHFFFAOYSA-N 1 0 368.437 2.904 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](Oc3ccccc3)C2)c1 ZINC000419311418 513771982 /nfs/dbraw/zinc/77/19/82/513771982.db2.gz CWQQAUXEAIFCSC-FXAWDEMLSA-N 1 0 372.421 2.878 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCSC[C@H]1C1CCC1 ZINC000419375387 513791315 /nfs/dbraw/zinc/79/13/15/513791315.db2.gz QLKWRPRVJPFHIR-HOCLYGCPSA-N 1 0 352.456 2.552 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](C[C@H]3CCCS(=O)(=O)C3)C2)cc1 ZINC000451551210 513827173 /nfs/dbraw/zinc/82/71/73/513827173.db2.gz TWGUDNAGOYWUIQ-GDBMZVCRSA-N 1 0 352.456 2.599 20 5 FFBDRO C[C@@H](CNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000448703566 513854332 /nfs/dbraw/zinc/85/43/32/513854332.db2.gz BYEXIWITJSVDGP-CABCVRRESA-N 1 0 361.442 2.794 20 5 FFBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000448706583 513857011 /nfs/dbraw/zinc/85/70/11/513857011.db2.gz ZIGMNKISNLXKOM-GJZGRUSLSA-N 1 0 371.441 2.631 20 5 FFBDRO CC(C)[C@@H](CO)[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000451599244 513858899 /nfs/dbraw/zinc/85/88/99/513858899.db2.gz PVDHJPVVKQGUAG-XKQJLSEDSA-N 1 0 351.447 2.801 20 5 FFBDRO CC(C)[C@@H](CO)[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)C(C)C ZINC000451604333 513860934 /nfs/dbraw/zinc/86/09/34/513860934.db2.gz YKIJCUALSYEWFN-XKQJLSEDSA-N 1 0 351.447 2.801 20 5 FFBDRO C[NH+](C)[C@H](CNC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])C1CC1 ZINC000448744320 513876020 /nfs/dbraw/zinc/87/60/20/513876020.db2.gz BADJXJHKZDJWJB-MRXNPFEDSA-N 1 0 354.410 2.727 20 5 FFBDRO C[C@@H]1CC[N@H+](C)CCN1C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000426269210 513891223 /nfs/dbraw/zinc/89/12/23/513891223.db2.gz FLHCNXDTAFIRQD-LLVKDONJSA-N 1 0 374.363 2.849 20 5 FFBDRO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@@H]3C[C@H](O)CC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000451690949 513911990 /nfs/dbraw/zinc/91/19/90/513911990.db2.gz ARPFUZJBYWCGBP-XUWVNRHRSA-N 1 0 361.442 2.713 20 5 FFBDRO CCC[NH+]1CCC(CNC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CC1 ZINC000448843471 513927416 /nfs/dbraw/zinc/92/74/16/513927416.db2.gz JECODRLAYVVFNN-UHFFFAOYSA-N 1 0 371.441 2.632 20 5 FFBDRO O=C(CCC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000448931260 513977629 /nfs/dbraw/zinc/97/76/29/513977629.db2.gz BJLCKHSYJZJXRB-QGZVFWFLSA-N 1 0 359.426 2.645 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCCN1 ZINC000423036628 514014244 /nfs/dbraw/zinc/01/42/44/514014244.db2.gz ATXACKXNUIHPIN-XHSDSOJGSA-N 1 0 353.850 2.537 20 5 FFBDRO CCC[NH2+][C@@H](C)C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000449068551 514060338 /nfs/dbraw/zinc/06/03/38/514060338.db2.gz BRKOIIYTJCKUJB-JTQLQIEISA-N 1 0 362.352 2.530 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(NS(C)(=O)=O)cc1 ZINC000449082751 514064897 /nfs/dbraw/zinc/06/48/97/514064897.db2.gz PRWBVSXKHJOTCN-ZDUSSCGKSA-N 1 0 363.439 2.687 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000426889824 514068232 /nfs/dbraw/zinc/06/82/32/514068232.db2.gz OWLRKTMWIAORAP-INIZCTEOSA-N 1 0 369.421 2.998 20 5 FFBDRO COc1cccc(C(=O)NCC[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000449098167 514070417 /nfs/dbraw/zinc/07/04/17/514070417.db2.gz HQDHZWZFYUWAHV-CQSZACIVSA-N 1 0 357.410 2.554 20 5 FFBDRO O=C(CN1CCCC[C@@H]1[C@H]1CC[NH2+]C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000420387005 514122992 /nfs/dbraw/zinc/12/29/92/514122992.db2.gz GBGNJFZHGBRTQT-SWLSCSKDSA-N 1 0 366.849 2.651 20 5 FFBDRO Cc1cc(OCC(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)ccc1[N+](=O)[O-] ZINC000432193678 514123050 /nfs/dbraw/zinc/12/30/50/514123050.db2.gz WRZPZZHQCOLBQO-MRXNPFEDSA-N 1 0 363.458 2.766 20 5 FFBDRO COC(=O)[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C[C@H]1c1ccccc1 ZINC000452007829 514130420 /nfs/dbraw/zinc/13/04/20/514130420.db2.gz RMIQNYZRBPAJDX-DLBZAZTESA-N 1 0 370.405 2.992 20 5 FFBDRO COC(=O)[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C[C@H]1c1ccccc1 ZINC000452007834 514131337 /nfs/dbraw/zinc/13/13/37/514131337.db2.gz RMIQNYZRBPAJDX-IRXDYDNUSA-N 1 0 370.405 2.992 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000420412572 514139087 /nfs/dbraw/zinc/13/90/87/514139087.db2.gz SHULKTHUMFXWQE-LJQANCHMSA-N 1 0 368.437 2.878 20 5 FFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1NCCc2ccccc21 ZINC000423431318 514140743 /nfs/dbraw/zinc/14/07/43/514140743.db2.gz QJRMJGWVOOYDCS-LIRRHRJNSA-N 1 0 368.437 2.789 20 5 FFBDRO C[C@]12C[N@H+](CC(=O)Nc3cc4c(cc3[N+](=O)[O-])OCO4)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000452041579 514156213 /nfs/dbraw/zinc/15/62/13/514156213.db2.gz JTCQTRAYJFRDOR-RJAOAUJVSA-N 1 0 373.409 2.630 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000427357025 514192919 /nfs/dbraw/zinc/19/29/19/514192919.db2.gz KQKUPZXHXIIODL-KRWDZBQOSA-N 1 0 369.421 2.950 20 5 FFBDRO NC(=O)c1cccc([N+](=O)[O-])c1N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000420611846 514199513 /nfs/dbraw/zinc/19/95/13/514199513.db2.gz NUXDPZRRBYJGTA-UHFFFAOYSA-N 1 0 360.458 2.786 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H](Cc2ccccc2)c2ccccc2)c1 ZINC000437639229 514199733 /nfs/dbraw/zinc/19/97/33/514199733.db2.gz ILAYRHWAKCEWOE-UXHICEINSA-N 1 0 366.421 2.726 20 5 FFBDRO COC(=O)COc1ccc(C[N@@H+]2C[C@@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)cc1[N+](=O)[O-] ZINC000449452307 514215851 /nfs/dbraw/zinc/21/58/51/514215851.db2.gz UHIKSMVXWOIAMV-ASKKUZCQSA-N 1 0 372.421 2.791 20 5 FFBDRO O=[N+]([O-])c1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)c2c(c1)COCO2 ZINC000449455049 514215983 /nfs/dbraw/zinc/21/59/83/514215983.db2.gz QEBYSMRJMBFYSK-KSZLIROESA-N 1 0 362.426 2.977 20 5 FFBDRO COc1cc(C(=O)NCCCCC[NH+]2CCCC2)c([N+](=O)[O-])cc1F ZINC000452144616 514216768 /nfs/dbraw/zinc/21/67/68/514216768.db2.gz DKVLCPSRMPDKPA-UHFFFAOYSA-N 1 0 353.394 2.738 20 5 FFBDRO COc1ccc([C@H]2CC[NH2+]C[C@H]2NC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000414662831 514229207 /nfs/dbraw/zinc/22/92/07/514229207.db2.gz RKDLXRZPNXTZQN-QZTJIDSGSA-N 1 0 370.409 2.871 20 5 FFBDRO COc1cc(C[NH2+][C@H](C(C)C)[C@H](CO)C(C)C)c([N+](=O)[O-])cc1OC ZINC000449515518 514235698 /nfs/dbraw/zinc/23/56/98/514235698.db2.gz ZVFRAPRTQRMDEH-RDTXWAMCSA-N 1 0 354.447 2.991 20 5 FFBDRO C[C@H]1C[C@H](C)CN(c2ccc(C(=O)N(C)C3CC([NH3+])C3)cc2[N+](=O)[O-])C1 ZINC000449632174 514274063 /nfs/dbraw/zinc/27/40/63/514274063.db2.gz QJZDPZPUJMSHKG-VRLRAXNCSA-N 1 0 360.458 2.639 20 5 FFBDRO CCOc1cc(NC(=O)N[C@H](C)CCC[NH3+])c([N+](=O)[O-])cc1OCC ZINC000414760319 514278140 /nfs/dbraw/zinc/27/81/40/514278140.db2.gz QJZLEVPLFDXLAD-LLVKDONJSA-N 1 0 354.407 2.641 20 5 FFBDRO CCOc1cc(NC(=O)N[C@H]2CC[NH2+]C2(C)C)c([N+](=O)[O-])cc1OCC ZINC000414760268 514278438 /nfs/dbraw/zinc/27/84/38/514278438.db2.gz QECYLASYPQJWIP-HNNXBMFYSA-N 1 0 366.418 2.654 20 5 FFBDRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000452342957 514293760 /nfs/dbraw/zinc/29/37/60/514293760.db2.gz JUULWZQTEIADGQ-ZDUSSCGKSA-N 1 0 351.451 2.682 20 5 FFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]([NH3+])c1ccccc1CC ZINC000423937185 514297169 /nfs/dbraw/zinc/29/71/69/514297169.db2.gz GAKUNNOMKJZXTJ-HNNXBMFYSA-N 1 0 357.410 2.986 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCCCS1(=O)=O)CCCC2 ZINC000417343124 514304085 /nfs/dbraw/zinc/30/40/85/514304085.db2.gz NXLPUVRKWWLWJK-RDJZCZTQSA-N 1 0 352.456 2.919 20 5 FFBDRO [NH3+]C[C@@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C1CCCC1 ZINC000423950518 514304161 /nfs/dbraw/zinc/30/41/61/514304161.db2.gz YNDYWBOUCUYDPN-GOSISDBHSA-N 1 0 363.461 2.788 20 5 FFBDRO [NH3+]C[C@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])C1CCCC1 ZINC000423963790 514311868 /nfs/dbraw/zinc/31/18/68/514311868.db2.gz PVQDUBSBXNUUQF-LBPRGKRZSA-N 1 0 357.863 2.974 20 5 FFBDRO [NH3+]CCC[C@H](NC(=O)CCNc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000423967298 514312954 /nfs/dbraw/zinc/31/29/54/514312954.db2.gz JCJVGHBHXZWMFR-INIZCTEOSA-N 1 0 356.426 2.993 20 5 FFBDRO COc1cc(OCC(=O)N[C@H](CCC[NH3+])c2ccccc2)ccc1[N+](=O)[O-] ZINC000423971159 514315821 /nfs/dbraw/zinc/31/58/21/514315821.db2.gz NNODVMXDRLFVAI-MRXNPFEDSA-N 1 0 373.409 2.579 20 5 FFBDRO C[C@H]1CCN(C(=O)c2cccc3c2[nH]c2c(F)cccc2c3=O)C[C@H]1C[NH3+] ZINC000424001206 514331599 /nfs/dbraw/zinc/33/15/99/514331599.db2.gz OWJPOCWCRCWZEE-QWHCGFSZSA-N 1 0 367.424 2.877 20 5 FFBDRO COc1cc(C[NH2+]C[C@H](C)C[NH3+])ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000414869713 514331951 /nfs/dbraw/zinc/33/19/51/514331951.db2.gz BDUNUXSGHGYMMK-CQSZACIVSA-N 1 0 359.426 2.867 20 5 FFBDRO CCc1ccc(C(=O)N2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)cc1[N+](=O)[O-] ZINC000424014715 514340874 /nfs/dbraw/zinc/34/08/74/514340874.db2.gz VZORFPGOMHOZTI-FUHWJXTLSA-N 1 0 361.442 2.516 20 5 FFBDRO [NH3+]CCN(CCO)Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000414909200 514352452 /nfs/dbraw/zinc/35/24/52/514352452.db2.gz GBTZLCMQQGVEPI-UHFFFAOYSA-N 1 0 365.817 2.794 20 5 FFBDRO [NH3+][C@@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)C[C@H]1c1ccccc1F ZINC000424038064 514353030 /nfs/dbraw/zinc/35/30/30/514353030.db2.gz LELSQOFKEMBECW-FUHWJXTLSA-N 1 0 357.385 2.620 20 5 FFBDRO O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCC2(CC[NH2+]2)CC1 ZINC000424050884 514358321 /nfs/dbraw/zinc/35/83/21/514358321.db2.gz GNCMRZHSZBDBHV-UHFFFAOYSA-N 1 0 358.423 2.686 20 5 FFBDRO CC(C)[C@@H](C(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)[NH+]1CCCCC1 ZINC000427964562 514359805 /nfs/dbraw/zinc/35/98/05/514359805.db2.gz NIFNXEZOGCOFST-SFHVURJKSA-N 1 0 361.442 2.826 20 5 FFBDRO COc1ccc(OCC[N@H+](C)C[C@H](O)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000433073328 514371993 /nfs/dbraw/zinc/37/19/93/514371993.db2.gz FPXFFHUFYWYMKA-MRXNPFEDSA-N 1 0 360.410 2.518 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+](CCO)[C@@H]3CCCSC3)co2)cc1 ZINC000439001869 514481761 /nfs/dbraw/zinc/48/17/61/514481761.db2.gz FEAJMWWIOFNJJU-MRXNPFEDSA-N 1 0 363.439 2.940 20 5 FFBDRO NC(=O)c1cccc(NC2CC[NH+](Cc3ccc(F)cc3)CC2)c1[N+](=O)[O-] ZINC000439104346 514493623 /nfs/dbraw/zinc/49/36/23/514493623.db2.gz BOVDGGTUGDAFGZ-UHFFFAOYSA-N 1 0 372.400 2.909 20 5 FFBDRO Cc1cccc(C(=O)N2CCN(C3CC[NH+](C(C)C)CC3)CC2)c1[N+](=O)[O-] ZINC000433571862 514518033 /nfs/dbraw/zinc/51/80/33/514518033.db2.gz FGYNBZIGHIVOCH-UHFFFAOYSA-N 1 0 374.485 2.534 20 5 FFBDRO O=C1[C@@H]([NH2+][C@H](c2cccnc2)C2CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000445804914 514523978 /nfs/dbraw/zinc/52/39/78/514523978.db2.gz DOLGJPUGAJYGTQ-ROUUACIJSA-N 1 0 352.394 2.836 20 5 FFBDRO COc1ccccc1[C@@H](CNc1ncc([N+](=O)[O-])c(C)n1)[NH+]1CCCC1 ZINC000450212711 514544811 /nfs/dbraw/zinc/54/48/11/514544811.db2.gz FHEVFLVGCQZJOC-MRXNPFEDSA-N 1 0 357.414 2.951 20 5 FFBDRO C[C@@H]([NH2+]CCn1cc(Br)ccc1=O)c1cccc([N+](=O)[O-])c1 ZINC000453257128 514581254 /nfs/dbraw/zinc/58/12/54/514581254.db2.gz UUTHXZHEUBNDJN-LLVKDONJSA-N 1 0 366.215 2.870 20 5 FFBDRO Cn1c(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000461434745 514617117 /nfs/dbraw/zinc/61/71/17/514617117.db2.gz ZCIHLPUNTABPJA-SJORKVTESA-N 1 0 368.437 2.527 20 5 FFBDRO COc1cc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000475322092 514618153 /nfs/dbraw/zinc/61/81/53/514618153.db2.gz ZLPGCZZRRRIZPX-QGZVFWFLSA-N 1 0 369.421 2.950 20 5 FFBDRO CN(C(=O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475319787 514618631 /nfs/dbraw/zinc/61/86/31/514618631.db2.gz UVXUCPRDAAVANC-GOSISDBHSA-N 1 0 369.421 2.707 20 5 FFBDRO Cn1ccnc1[C@@H](NCCCC[N@H+](C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000453405248 514623735 /nfs/dbraw/zinc/62/37/35/514623735.db2.gz QEUUKCSQUMXSSB-SFHVURJKSA-N 1 0 357.458 2.882 20 5 FFBDRO COc1c(C(=O)N[C@@H](C[NH+](C)C)c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000488912052 514630994 /nfs/dbraw/zinc/63/09/94/514630994.db2.gz NEHOGCUODMRQAK-HNNXBMFYSA-N 1 0 361.373 2.775 20 5 FFBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000461544214 514650996 /nfs/dbraw/zinc/65/09/96/514650996.db2.gz ILMJHIHNUUYTMH-AWEZNQCLSA-N 1 0 359.430 2.631 20 5 FFBDRO CS(=O)(=O)C1(C[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCC1 ZINC000475426734 514657829 /nfs/dbraw/zinc/65/78/29/514657829.db2.gz FHEITPJDWYCJLJ-UHFFFAOYSA-N 1 0 364.423 2.912 20 5 FFBDRO O=C(NC1CC[NH+](Cc2cccnc2)CC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000479631869 514664683 /nfs/dbraw/zinc/66/46/83/514664683.db2.gz IBVNIDCJEBALKQ-UHFFFAOYSA-N 1 0 358.373 2.523 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1CCCC[C@H]1OC(F)F ZINC000502566621 514698330 /nfs/dbraw/zinc/69/83/30/514698330.db2.gz ROFQQWHIXXROFU-ZIAGYGMSSA-N 1 0 357.357 2.982 20 5 FFBDRO COc1cc(CN2C[C@@H](SC)[C@H]([NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000484612426 514709999 /nfs/dbraw/zinc/70/99/99/514709999.db2.gz DMLACOMYXOKYHB-NVXWUHKLSA-N 1 0 351.472 2.615 20 5 FFBDRO COc1cc(C[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)ccc1[N+](=O)[O-] ZINC000489140994 514726706 /nfs/dbraw/zinc/72/67/06/514726706.db2.gz REJTYNGNMXVTFG-AWEZNQCLSA-N 1 0 357.414 2.521 20 5 FFBDRO COc1cc(C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc([N+](=O)[O-])c1C ZINC000479885311 514758760 /nfs/dbraw/zinc/75/87/60/514758760.db2.gz JSGYVRLFSCVSIP-HNNXBMFYSA-N 1 0 361.442 2.716 20 5 FFBDRO Cc1cc(N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c(F)cc1[N+](=O)[O-] ZINC000461935081 514794872 /nfs/dbraw/zinc/79/48/72/514794872.db2.gz JEIWHEJIIIXGNJ-XYPWUTKMSA-N 1 0 362.449 2.790 20 5 FFBDRO Cc1cc(N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000461971016 514812140 /nfs/dbraw/zinc/81/21/40/514812140.db2.gz GUGMQRFOGUIXBA-HOCLYGCPSA-N 1 0 350.438 2.505 20 5 FFBDRO C[NH+](C)CC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000489453103 514852734 /nfs/dbraw/zinc/85/27/34/514852734.db2.gz RBAPUAUBWMVSJM-UHFFFAOYSA-N 1 0 357.357 2.610 20 5 FFBDRO CCn1nc(C)c([N+](=O)[O-])c1N(C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000480174385 514863822 /nfs/dbraw/zinc/86/38/22/514863822.db2.gz YLYVJQSGZAHXRG-RDJZCZTQSA-N 1 0 358.446 2.644 20 5 FFBDRO C[NH+](C)C1(CNC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)CCCC1 ZINC000467212835 514940533 /nfs/dbraw/zinc/94/05/33/514940533.db2.gz ATKLWJHVTBHMQU-UHFFFAOYSA-N 1 0 354.838 2.922 20 5 FFBDRO C[C@@H](NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)C1=CC[N@H+](C)CC1 ZINC000467218879 514944804 /nfs/dbraw/zinc/94/48/04/514944804.db2.gz RFUHTSLNJAMYJP-LLVKDONJSA-N 1 0 352.822 2.698 20 5 FFBDRO CCO[C@H]1C[C@H]([NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C12CCCCC2 ZINC000503425869 515029306 /nfs/dbraw/zinc/02/93/06/515029306.db2.gz MNTUBUUNJGXYCT-IRXDYDNUSA-N 1 0 361.442 2.911 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N3CC[N@H+](C)CC[C@H]3C)cc2[N+](=O)[O-])C1 ZINC000498705636 515032408 /nfs/dbraw/zinc/03/24/08/515032408.db2.gz ITAIVZWCIDWYJH-HZPDHXFCSA-N 1 0 374.485 2.997 20 5 FFBDRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)ccc21 ZINC000456286464 515071346 /nfs/dbraw/zinc/07/13/46/515071346.db2.gz VNGRAQNVQHXCFA-MRXNPFEDSA-N 1 0 357.414 2.714 20 5 FFBDRO Cn1cc(CN2CCC[C@]3(CC[NH2+]C3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000490063711 515086637 /nfs/dbraw/zinc/08/66/37/515086637.db2.gz YACOUJSTAQWFKJ-LJQANCHMSA-N 1 0 355.442 2.571 20 5 FFBDRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000456342149 515110147 /nfs/dbraw/zinc/11/01/47/515110147.db2.gz FPFCTTZAPVJYDX-CQSZACIVSA-N 1 0 357.414 2.541 20 5 FFBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000467810751 515130431 /nfs/dbraw/zinc/13/04/31/515130431.db2.gz GPHAXUGSZKJVRF-SMDDNHRTSA-N 1 0 367.833 2.616 20 5 FFBDRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000456368916 515134601 /nfs/dbraw/zinc/13/46/01/515134601.db2.gz FPOOEKADFBPYNT-LLVKDONJSA-N 1 0 370.247 2.914 20 5 FFBDRO C[NH+](C)[C@@H](CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)c1ccsc1 ZINC000485760382 515175247 /nfs/dbraw/zinc/17/52/47/515175247.db2.gz WSOWNVWEKITLMR-HNNXBMFYSA-N 1 0 369.393 2.896 20 5 FFBDRO Cc1ccc(C)c(S(=O)(=O)NC[C@@H](C)C[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000481050963 515188851 /nfs/dbraw/zinc/18/88/51/515188851.db2.gz BIKZGVKNFRALDR-CYBMUJFWSA-N 1 0 369.487 2.612 20 5 FFBDRO C[C@H]1C[C@@H]([NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC(C)(C)C1 ZINC000462747207 515221810 /nfs/dbraw/zinc/22/18/10/515221810.db2.gz WAYUDUDCSKJKJI-UONOGXRCSA-N 1 0 369.487 2.678 20 5 FFBDRO COc1cc(OCC(=O)N(C)CC[NH+](C(C)C)C(C)C)ccc1[N+](=O)[O-] ZINC000504181798 515240014 /nfs/dbraw/zinc/24/00/14/515240014.db2.gz DCRLOXHYFBSICX-UHFFFAOYSA-N 1 0 367.446 2.559 20 5 FFBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])C1 ZINC000486102470 515334615 /nfs/dbraw/zinc/33/46/15/515334615.db2.gz DJLYGFJHXBQMHQ-LBPRGKRZSA-N 1 0 367.471 2.787 20 5 FFBDRO C[C@H](CC[NH3+])NC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000477167682 515354801 /nfs/dbraw/zinc/35/48/01/515354801.db2.gz VSZLJUDQODSOHH-MRVPVSSYSA-N 1 0 372.212 2.554 20 5 FFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)CN1CCOCC1 ZINC000504894998 515405220 /nfs/dbraw/zinc/40/52/20/515405220.db2.gz QADAZMGFGVYJKG-GJZGRUSLSA-N 1 0 353.488 2.776 20 5 FFBDRO COc1cc(C[NH2+]CC[C@@H](OC)C(F)(F)F)c([N+](=O)[O-])cc1OC ZINC000468610725 515435119 /nfs/dbraw/zinc/43/51/19/515435119.db2.gz ZTLGJYHBECJORL-CYBMUJFWSA-N 1 0 352.309 2.669 20 5 FFBDRO Cc1c(Br)cc(C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000510443603 515543514 /nfs/dbraw/zinc/54/35/14/515543514.db2.gz OQVWYEKAOYPNME-BXKDBHETSA-N 1 0 370.247 2.878 20 5 FFBDRO COc1cccc([C@@H]2[C@H](NC(=O)c3ccc([N+](=O)[O-])[nH]3)CC[N@@H+]2C2CC2)c1 ZINC000482047136 515557659 /nfs/dbraw/zinc/55/76/59/515557659.db2.gz WAZRZHZECOTURE-CRAIPNDOSA-N 1 0 370.409 2.639 20 5 FFBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC000510541902 515576921 /nfs/dbraw/zinc/57/69/21/515576921.db2.gz VOLBAZBSTUYZLL-AUUYWEPGSA-N 1 0 373.457 2.606 20 5 FFBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000457085474 515637786 /nfs/dbraw/zinc/63/77/86/515637786.db2.gz HMTLROHPKWJDDX-LBPRGKRZSA-N 1 0 357.357 2.751 20 5 FFBDRO C[C@@H]1[C@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1Cc1ccccc1 ZINC000494040589 515718821 /nfs/dbraw/zinc/71/88/21/515718821.db2.gz YDJCFHMSDKABAH-DNVCBOLYSA-N 1 0 369.421 2.753 20 5 FFBDRO C[C@H]1[C@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1Cc1ccccc1 ZINC000494040590 515719125 /nfs/dbraw/zinc/71/91/25/515719125.db2.gz YDJCFHMSDKABAH-HNAYVOBHSA-N 1 0 369.421 2.753 20 5 FFBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[NH2+]C2(CO)CCSCC2)c1 ZINC000459696492 515750999 /nfs/dbraw/zinc/75/09/99/515750999.db2.gz LJKKWWNNZQNUMI-UHFFFAOYSA-N 1 0 350.362 2.961 20 5 FFBDRO CC[C@@H]([NH2+]CCc1nnnn1-c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000511035409 515753217 /nfs/dbraw/zinc/75/32/17/515753217.db2.gz DKHIJMCXLDJNHT-QGZVFWFLSA-N 1 0 352.398 2.854 20 5 FFBDRO CO[C@H]1C[C@@H]([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C12CCC2 ZINC000459740688 515780611 /nfs/dbraw/zinc/78/06/11/515780611.db2.gz BNRAASGHTFALPQ-KGLIPLIRSA-N 1 0 353.806 2.734 20 5 FFBDRO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])n1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000487294875 515818864 /nfs/dbraw/zinc/81/88/64/515818864.db2.gz DIVWMEMFYSOYHX-GDBMZVCRSA-N 1 0 356.426 2.574 20 5 FFBDRO C[C@H]1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)[C@H]1[NH3+] ZINC000457370453 515831633 /nfs/dbraw/zinc/83/16/33/515831633.db2.gz OIDYJVFWAWEFMY-YHAQOWFVSA-N 1 0 357.863 2.925 20 5 FFBDRO CCCN(CC[NH+]1CCCC1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1CC ZINC000511239249 515837560 /nfs/dbraw/zinc/83/75/60/515837560.db2.gz GTLIZLKXUYGWRJ-UHFFFAOYSA-N 1 0 369.487 2.654 20 5 FFBDRO C[NH+](C)CCc1ccc(CNC(=O)CCOc2ccccc2[N+](=O)[O-])cc1 ZINC000469498953 515840397 /nfs/dbraw/zinc/84/03/97/515840397.db2.gz DGEBNTQAWJQHCS-UHFFFAOYSA-N 1 0 371.437 2.784 20 5 FFBDRO C[NH+](C)CCc1ccc(CNC(=O)Cc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000469497829 515840901 /nfs/dbraw/zinc/84/09/01/515840901.db2.gz OQCIOKMDFCEZRG-UHFFFAOYSA-N 1 0 359.401 2.697 20 5 FFBDRO CN(CC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000474217731 515939501 /nfs/dbraw/zinc/93/95/01/515939501.db2.gz YJPJYIPUBBDESF-KRWDZBQOSA-N 1 0 368.437 2.740 20 5 FFBDRO C[C@@H]1C[C@H](NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000487838944 516000515 /nfs/dbraw/zinc/00/05/15/516000515.db2.gz OGNRVOFGNIAEHK-BXUZGUMPSA-N 1 0 354.838 2.573 20 5 FFBDRO C[NH+](C)C[C@@H]1CCCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000464933245 516019299 /nfs/dbraw/zinc/01/92/99/516019299.db2.gz GHLLIRSFOVZOCP-AWEZNQCLSA-N 1 0 360.439 2.885 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C[C@@H]1C ZINC000495473974 516175457 /nfs/dbraw/zinc/17/54/57/516175457.db2.gz KSTISRNWMBNZTH-LSDHHAIUSA-N 1 0 371.441 2.725 20 5 FFBDRO CCN(C(=O)c1cc([N+](=O)[O-])n[nH]1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000507470138 516219188 /nfs/dbraw/zinc/21/91/88/516219188.db2.gz TXTKTYVFQAQGLF-UKRRQHHQSA-N 1 0 357.414 2.616 20 5 FFBDRO CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000507688767 516283631 /nfs/dbraw/zinc/28/36/31/516283631.db2.gz OVKLOUQDGKSZKT-INIZCTEOSA-N 1 0 371.441 2.521 20 5 FFBDRO CC[C@](C)(COc1ncccc1Cl)[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000539883269 516337615 /nfs/dbraw/zinc/33/76/15/516337615.db2.gz NLDLZYFHMVEKJD-OAHLLOKOSA-N 1 0 353.810 2.714 20 5 FFBDRO COC(=O)[C@@H]1CCCC[C@]1(C)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000535466821 516366958 /nfs/dbraw/zinc/36/69/58/516366958.db2.gz ZZAZLGVHMLWNOO-KSSFIOAISA-N 1 0 363.414 2.553 20 5 FFBDRO Cc1cc(N(C)CCc2cnccn2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000540025005 516407331 /nfs/dbraw/zinc/40/73/31/516407331.db2.gz MDXUIYLZSMIUID-UHFFFAOYSA-N 1 0 350.382 2.829 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])c(N(C)CC[NH+]2CCN(c3ccccc3)CC2)n1 ZINC000543790674 516431195 /nfs/dbraw/zinc/43/11/95/516431195.db2.gz WWVMYRJHDQINPI-UHFFFAOYSA-N 1 0 369.469 2.865 20 5 FFBDRO CCc1nnc(NC(=O)[C@@H](C)[C@@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])s1 ZINC000513087460 516467929 /nfs/dbraw/zinc/46/79/29/516467929.db2.gz AIROSEHPAWLNRV-WDEREUQCSA-N 1 0 363.443 2.762 20 5 FFBDRO CC(C)CCC[C@H](C)[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000540194375 516469257 /nfs/dbraw/zinc/46/92/57/516469257.db2.gz GUWRXXOQOBEQBC-AWEZNQCLSA-N 1 0 357.476 2.678 20 5 FFBDRO COC(=O)CCC1CC[NH+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000531479619 516488102 /nfs/dbraw/zinc/48/81/02/516488102.db2.gz MZOJPTKEFXJOCS-UHFFFAOYSA-N 1 0 364.398 2.627 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000543903473 516490188 /nfs/dbraw/zinc/49/01/88/516490188.db2.gz ICUXCKCXMLMMFN-KBPBESRZSA-N 1 0 365.430 2.683 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)c1ccc2n[nH]cc2c1 ZINC000513202152 516518519 /nfs/dbraw/zinc/51/85/19/516518519.db2.gz SVBDWRCKUHGRPC-LLVKDONJSA-N 1 0 369.381 2.769 20 5 FFBDRO COCC[N@H+](CCOc1ccccc1[N+](=O)[O-])Cc1ccc2c(c1)OCO2 ZINC000523609572 516519551 /nfs/dbraw/zinc/51/95/51/516519551.db2.gz ZLFRYBZFEJDTAP-UHFFFAOYSA-N 1 0 374.393 2.851 20 5 FFBDRO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccc2n[nH]cc2c1 ZINC000513211580 516524475 /nfs/dbraw/zinc/52/44/75/516524475.db2.gz YEEPHBYMKCZABA-SWLSCSKDSA-N 1 0 356.382 2.562 20 5 FFBDRO CCc1cnccc1[C@H](C)[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000543980812 516524864 /nfs/dbraw/zinc/52/48/64/516524864.db2.gz ODOVQMDSXGQALK-ZDUSSCGKSA-N 1 0 354.410 2.792 20 5 FFBDRO CC[C@H]([NH2+][C@@H]1CCCN(Cc2nccn2C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000544017194 516539876 /nfs/dbraw/zinc/53/98/76/516539876.db2.gz TWVNPONNMILBJW-DLBZAZTESA-N 1 0 371.441 2.560 20 5 FFBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C[C@@H](C)C1 ZINC000558022816 516555259 /nfs/dbraw/zinc/55/52/59/516555259.db2.gz JOASVHSDNGZAEJ-ZJNRKIDTSA-N 1 0 356.426 2.878 20 5 FFBDRO CC[NH+](CC)C[C@H](C)NC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000558064900 516576831 /nfs/dbraw/zinc/57/68/31/516576831.db2.gz LDJZKQXWXXCYJL-ZDUSSCGKSA-N 1 0 361.446 2.648 20 5 FFBDRO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@H+](CC[C@H]4CCCCO4)CC3)nc2c1 ZINC000547832572 516588875 /nfs/dbraw/zinc/58/88/75/516588875.db2.gz JUIJDZRTICCPDO-MRXNPFEDSA-N 1 0 373.457 2.942 20 5 FFBDRO C[C@H]([NH2+]Cc1ccc(C(=O)N2CCOCC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000531698865 516599128 /nfs/dbraw/zinc/59/91/28/516599128.db2.gz FJXBFTIMGMCRRU-HNNXBMFYSA-N 1 0 369.421 2.918 20 5 FFBDRO COc1cc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])ccc1OCCO ZINC000518396945 516642593 /nfs/dbraw/zinc/64/25/93/516642593.db2.gz KOPGTVUZBPVBSF-INIZCTEOSA-N 1 0 358.394 2.752 20 5 FFBDRO C[N@@H+]1CCN(CCOc2ccccc2[N+](=O)[O-])C[C@@H]1Cc1ccccc1 ZINC000551402253 516693145 /nfs/dbraw/zinc/69/31/45/516693145.db2.gz ZZGNKEGQHUJOKN-SFHVURJKSA-N 1 0 355.438 2.832 20 5 FFBDRO Cc1ccc([C@H](C)[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000540744599 516693583 /nfs/dbraw/zinc/69/35/83/516693583.db2.gz NQELAKKGDWDMDV-RDJZCZTQSA-N 1 0 364.490 2.646 20 5 FFBDRO C[C@H]1CCCN(Cc2csc(NC(=O)c3ccc([N+](=O)[O-])cn3)n2)C1 ZINC000531890593 516695521 /nfs/dbraw/zinc/69/55/21/516695521.db2.gz OYKCZIPHAVJXOB-NSHDSACASA-N 1 0 361.427 2.931 20 5 FFBDRO CC(=O)N1C[C@@H]2CCC[C@@H](Nc3cc(C)[nH+]c4ccc([N+](=O)[O-])cc34)[C@H]2C1 ZINC000561700548 516722054 /nfs/dbraw/zinc/72/20/54/516722054.db2.gz IPSKDMJWANGZSH-JCGIZDLHSA-N 1 0 368.437 2.932 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)cc1SC ZINC000518899236 516813840 /nfs/dbraw/zinc/81/38/40/516813840.db2.gz RCCPVXAERCGWQQ-GFCCVEGCSA-N 1 0 365.455 2.634 20 5 FFBDRO O=C(NCc1ccccc1C[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cn1 ZINC000532143136 516822571 /nfs/dbraw/zinc/82/25/71/516822571.db2.gz GLOQXKKCLCCNSF-UHFFFAOYSA-N 1 0 354.410 2.906 20 5 FFBDRO C[NH+](C)C[C@@H]1CCCCN1C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000541029669 516838783 /nfs/dbraw/zinc/83/87/83/516838783.db2.gz KMQUWRKAHPPDDA-LBPRGKRZSA-N 1 0 357.357 2.753 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H]1C ZINC000524881123 516859587 /nfs/dbraw/zinc/85/95/87/516859587.db2.gz UTVCOVPJZIOBRY-YOEHRIQHSA-N 1 0 371.441 2.725 20 5 FFBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CC[N@@H+](C3CC3)C2)nc1OCc1ccccc1 ZINC000558649126 516860318 /nfs/dbraw/zinc/86/03/18/516860318.db2.gz LHDHHQRSGDGPEY-INIZCTEOSA-N 1 0 368.437 2.887 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1C[C@@H](OCC)[C@]12CCCO2 ZINC000544710947 516889744 /nfs/dbraw/zinc/88/97/44/516889744.db2.gz WIVNCUBVAKOTDB-KURKYZTESA-N 1 0 350.415 2.810 20 5 FFBDRO Cn1c(C(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)ccc1[N+](=O)[O-] ZINC000525040928 516901252 /nfs/dbraw/zinc/90/12/52/516901252.db2.gz VIQGSLLLMHTHOU-LRDDRELGSA-N 1 0 362.455 2.808 20 5 FFBDRO COc1cc([C@@H](C)NCc2cc([O-])ccc2[N+](=O)[O-])ccc1OCCO ZINC000555420859 516921189 /nfs/dbraw/zinc/92/11/89/516921189.db2.gz PMENICZLJQEQPC-GFCCVEGCSA-N 1 0 362.382 2.531 20 5 FFBDRO Cc1cnc(N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)c([N+](=O)[O-])c1 ZINC000548346398 516921177 /nfs/dbraw/zinc/92/11/77/516921177.db2.gz VAZHMCOTPZXNEI-WMLDXEAASA-N 1 0 358.446 2.551 20 5 FFBDRO CC[C@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)[N@@H+]1CCc2ccccc2C1 ZINC000532388409 516947663 /nfs/dbraw/zinc/94/76/63/516947663.db2.gz YUSYVRDKAUGTGX-MRXNPFEDSA-N 1 0 354.410 2.557 20 5 FFBDRO CC[C@H](C)C[C@H](CC)[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000536827525 516947676 /nfs/dbraw/zinc/94/76/76/516947676.db2.gz PEILCDGNFXJAIL-KBPBESRZSA-N 1 0 357.476 2.678 20 5 FFBDRO O=C(C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])N[C@@H]1CCOc2ccccc21 ZINC000519544328 517036344 /nfs/dbraw/zinc/03/63/44/517036344.db2.gz FMNUAQXXLWFYAD-IAGOWNOFSA-N 1 0 367.405 2.812 20 5 FFBDRO Cn1ccnc1[C@@H](NCC1CC[NH+](C2CC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000552054684 517052920 /nfs/dbraw/zinc/05/29/20/517052920.db2.gz JMFMMASKKLXOSJ-IBGZPJMESA-N 1 0 369.469 2.882 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)CCC[N@H+](C)Cc1ccco1 ZINC000552058584 517054764 /nfs/dbraw/zinc/05/47/64/517054764.db2.gz PZMKCEQLHWALFR-UHFFFAOYSA-N 1 0 374.441 2.889 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2nc(C[NH2+][C@@H](C3CC3)[C@]3(CO)CCCO3)co2)cc1 ZINC000555759881 517109466 /nfs/dbraw/zinc/10/94/66/517109466.db2.gz VXKYZCDXYYBUOY-PKOBYXMFSA-N 1 0 373.409 2.660 20 5 FFBDRO O=C(CC(F)(F)F)N1CCC([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000537303427 517134971 /nfs/dbraw/zinc/13/49/71/517134971.db2.gz OMICPGISPGHJQB-UHFFFAOYSA-N 1 0 351.350 2.689 20 5 FFBDRO CC[C@@H]([NH2+]Cc1cccc(OCC(=O)NC)c1)c1cccc([N+](=O)[O-])c1 ZINC000552325309 517198675 /nfs/dbraw/zinc/19/86/75/517198675.db2.gz RTKQPVRXTVFNAS-GOSISDBHSA-N 1 0 357.410 2.961 20 5 FFBDRO O=C(CC[NH2+]CCc1ccc2c(c1)OCCO2)Nc1ccccc1[N+](=O)[O-] ZINC000548761757 517198953 /nfs/dbraw/zinc/19/89/53/517198953.db2.gz RUDIHIAUTLCIOJ-UHFFFAOYSA-N 1 0 371.393 2.527 20 5 FFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCN3CCOC[C@@H]3C2)s1 ZINC000541761089 517202190 /nfs/dbraw/zinc/20/21/90/517202190.db2.gz XLSGVLCHXZQGQF-AWEZNQCLSA-N 1 0 359.451 2.840 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000532988301 517238333 /nfs/dbraw/zinc/23/83/33/517238333.db2.gz ACCDSAPUAUPOAG-STQMWFEESA-N 1 0 368.865 2.991 20 5 FFBDRO CCc1ccc([C@H](CNC(=O)c2c([N+](=O)[O-])cnn2C)[NH+](CC)CC)cc1 ZINC000515170859 517238376 /nfs/dbraw/zinc/23/83/76/517238376.db2.gz MLNMIERKHHTOAR-INIZCTEOSA-N 1 0 373.457 2.704 20 5 FFBDRO C[NH+](C)CCc1ccc(CNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])cc1 ZINC000525968581 517262871 /nfs/dbraw/zinc/26/28/71/517262871.db2.gz RZYMLQLNWQBZJD-UHFFFAOYSA-N 1 0 367.409 2.960 20 5 FFBDRO CC(C)Oc1ccc(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000515326581 517298159 /nfs/dbraw/zinc/29/81/59/517298159.db2.gz HRSQAEOSFBUOEM-INIZCTEOSA-N 1 0 360.410 2.912 20 5 FFBDRO [NH3+]CCCN(CC1CCCC1)C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000515351440 517314494 /nfs/dbraw/zinc/31/44/94/517314494.db2.gz RBOFNOFNBJAEKB-UHFFFAOYSA-N 1 0 371.441 2.762 20 5 FFBDRO Cc1ccccc1[C@H](CO)[NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000541984836 517322590 /nfs/dbraw/zinc/32/25/90/517322590.db2.gz ZMJNIUIFXCFHCE-INIZCTEOSA-N 1 0 371.393 2.524 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C1CCc2ccccc2CC1 ZINC000515414804 517345054 /nfs/dbraw/zinc/34/50/54/517345054.db2.gz IWBYLIADZUJYQU-SFHVURJKSA-N 1 0 356.422 2.872 20 5 FFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1Nc1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000520441904 517394714 /nfs/dbraw/zinc/39/47/14/517394714.db2.gz BYUVFUPLCGZVRE-CXAGYDPISA-N 1 0 354.410 2.626 20 5 FFBDRO C[NH+](C)C[C@@H]1CCCCN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000520497916 517412379 /nfs/dbraw/zinc/41/23/79/517412379.db2.gz KXJMKDHVIURKJJ-INIZCTEOSA-N 1 0 360.458 2.751 20 5 FFBDRO Cc1ccc(NCCC[NH2+][C@H](Cc2ccc(F)cc2)C(N)=O)c([N+](=O)[O-])c1 ZINC000542236266 517453851 /nfs/dbraw/zinc/45/38/51/517453851.db2.gz VDBUBNQHFUGVBZ-QGZVFWFLSA-N 1 0 374.416 2.531 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@H]1C ZINC000533447356 517468333 /nfs/dbraw/zinc/46/83/33/517468333.db2.gz GKHCPFIEUZOVQO-XJKSGUPXSA-N 1 0 359.430 2.949 20 5 FFBDRO Cc1ccc(C(=O)NCC[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000562944543 517520467 /nfs/dbraw/zinc/52/04/67/517520467.db2.gz YYPSCSSHBHBURS-SJORKVTESA-N 1 0 371.441 2.603 20 5 FFBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]C[C@H](O)COCc3ccccc3)c2c1 ZINC000516051750 517547593 /nfs/dbraw/zinc/54/75/93/517547593.db2.gz BEHNIXKNFVLOSZ-SFHVURJKSA-N 1 0 369.421 2.786 20 5 FFBDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000553170901 517557002 /nfs/dbraw/zinc/55/70/02/517557002.db2.gz FNIZTSWMQUHKQK-CQSZACIVSA-N 1 0 359.430 2.588 20 5 FFBDRO C[NH+](C)CCN(C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C1CCCCC1 ZINC000521056576 517596691 /nfs/dbraw/zinc/59/66/91/517596691.db2.gz SCRIURRJXHYTIM-UHFFFAOYSA-N 1 0 359.430 2.808 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCCCCC[NH+]2CCCC2)cc1C ZINC000549520568 517599053 /nfs/dbraw/zinc/59/90/53/517599053.db2.gz SUFLRNJPJLLHHC-UHFFFAOYSA-N 1 0 369.487 2.756 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CCc1ccc(Cl)s1 ZINC000516174700 517600491 /nfs/dbraw/zinc/60/04/91/517600491.db2.gz PCWNIJPJWZXUKG-LLVKDONJSA-N 1 0 356.831 2.882 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CCc1ccc(Cl)s1 ZINC000516174701 517601586 /nfs/dbraw/zinc/60/15/86/517601586.db2.gz PCWNIJPJWZXUKG-NSHDSACASA-N 1 0 356.831 2.882 20 5 FFBDRO CC[C@@H]([NH3+])CNC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000563118593 517670541 /nfs/dbraw/zinc/67/05/41/517670541.db2.gz DGGJNRZXNPSHEQ-GXTWGEPZSA-N 1 0 357.414 2.630 20 5 FFBDRO O=C(CC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)NC1CCCCC1 ZINC000521347200 517699835 /nfs/dbraw/zinc/69/98/35/517699835.db2.gz MRUODFUUYUTUCA-HOTGVXAUSA-N 1 0 363.462 2.704 20 5 FFBDRO C[C@H]1C[C@H](Nc2cccc(C(N)=O)c2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000553446421 517718895 /nfs/dbraw/zinc/71/88/95/517718895.db2.gz FQIIDKXWSVQGCJ-ZFWWWQNUSA-N 1 0 354.410 2.769 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC2CC[NH+](C(C)(C)C)CC2)c1 ZINC000542755718 517720208 /nfs/dbraw/zinc/72/02/08/517720208.db2.gz GTVMDRGCMOQHGM-UHFFFAOYSA-N 1 0 369.487 2.753 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@H]2CCN(c3ncccc3F)C2)n1 ZINC000530359296 517726115 /nfs/dbraw/zinc/72/61/15/517726115.db2.gz CFWWCTTUKKILLM-CWRNSKLLSA-N 1 0 374.420 2.678 20 5 FFBDRO CC[C@@H]([NH2+][C@@H]1CCCN(S(=O)(=O)C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000556899260 517734674 /nfs/dbraw/zinc/73/46/74/517734674.db2.gz XWIYWQGWTRPHRS-RHSMWYFYSA-N 1 0 367.471 2.592 20 5 FFBDRO CC(C)[NH+]1CCC(NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CC1 ZINC000542869170 517790750 /nfs/dbraw/zinc/79/07/50/517790750.db2.gz NJEXZEJKRNYOLQ-UHFFFAOYSA-N 1 0 357.357 2.799 20 5 FFBDRO COc1cc(CN2CC[N@H+](C)[C@@H](C)[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000538953270 517862357 /nfs/dbraw/zinc/86/23/57/517862357.db2.gz LLPOWUZHYXZLGN-QWRGUYRKSA-N 1 0 359.373 2.729 20 5 FFBDRO C[C@H](CN[C@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F)C[NH+]1CCN(C)CC1 ZINC000516871616 517884993 /nfs/dbraw/zinc/88/49/93/517884993.db2.gz CUACZVABVNMZMT-CZUORRHYSA-N 1 0 374.407 2.671 20 5 FFBDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000521921515 517901653 /nfs/dbraw/zinc/90/16/53/517901653.db2.gz CWFSUPSELZCMCH-OAHLLOKOSA-N 1 0 363.458 2.990 20 5 FFBDRO CC(C)C[N@@H+]1CCO[C@@H](CNc2ccc([N+](=O)[O-])cc2OC(F)F)C1 ZINC000546895717 517912010 /nfs/dbraw/zinc/91/20/10/517912010.db2.gz IMBOIIFSFXWOBK-ZDUSSCGKSA-N 1 0 359.373 2.965 20 5 FFBDRO Cc1nn(C)c(C(=O)Nc2cccc(CC[N@H+](C)C3CC3)c2)c1[N+](=O)[O-] ZINC000539331699 517997839 /nfs/dbraw/zinc/99/78/39/517997839.db2.gz YLRPITPJTZSYNK-UHFFFAOYSA-N 1 0 357.414 2.526 20 5 FFBDRO COc1ccc(CC(=O)NCCC[NH+](C(C)C)C(C)C)cc1[N+](=O)[O-] ZINC000530828720 517998344 /nfs/dbraw/zinc/99/83/44/517998344.db2.gz BKCHJCIBJAXGGY-UHFFFAOYSA-N 1 0 351.447 2.771 20 5 FFBDRO O=C(NC[C@H]1[NH2+]CCc2ccccc21)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000563601355 518014736 /nfs/dbraw/zinc/01/47/36/518014736.db2.gz ZFAZNHINHLLMEA-GOSISDBHSA-N 1 0 366.421 2.550 20 5 FFBDRO CNc1c(C(=O)N(C)CCC[N@H+](C)Cc2ccco2)cccc1[N+](=O)[O-] ZINC000563723421 518090603 /nfs/dbraw/zinc/09/06/03/518090603.db2.gz LLXIWPARXGVGSX-UHFFFAOYSA-N 1 0 360.414 2.824 20 5 FFBDRO Cn1cc(C[NH2+]CCNc2ccccn2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000539709857 518146174 /nfs/dbraw/zinc/14/61/74/518146174.db2.gz ZPWOWRFSUDCHSM-UHFFFAOYSA-N 1 0 352.398 2.592 20 5 FFBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000522828818 518167499 /nfs/dbraw/zinc/16/74/99/518167499.db2.gz MMLNNUNWKKXVOG-QGZVFWFLSA-N 1 0 354.410 2.518 20 5 FFBDRO CCNc1ccc(C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000535225744 518167946 /nfs/dbraw/zinc/16/79/46/518167946.db2.gz NTIBBJHRBYFZAE-INIZCTEOSA-N 1 0 360.458 2.831 20 5 FFBDRO COc1ccc(C(=O)N[C@@H](C[NH+](C)C)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000569613127 518207086 /nfs/dbraw/zinc/20/70/86/518207086.db2.gz CLOMIUKSSXGAMO-HNNXBMFYSA-N 1 0 361.373 2.775 20 5 FFBDRO Cc1ccc([C@@H](C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)N(C)C)cc1 ZINC000584226836 518237572 /nfs/dbraw/zinc/23/75/72/518237572.db2.gz QSUZKNRITYLPQG-UYAOXDASSA-N 1 0 373.453 2.535 20 5 FFBDRO C[C@@H]1[C@@H](NC(=O)COc2ccccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000564003678 518265509 /nfs/dbraw/zinc/26/55/09/518265509.db2.gz UFEAVOLNFZVPMV-WBVHZDCISA-N 1 0 369.421 2.753 20 5 FFBDRO C[C@@H]1[C@H](NC(=O)COc2ccccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000564003673 518266160 /nfs/dbraw/zinc/26/61/60/518266160.db2.gz UFEAVOLNFZVPMV-NVXWUHKLSA-N 1 0 369.421 2.753 20 5 FFBDRO CC(C)[NH+](CCNC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)C(C)C ZINC000578586661 518276563 /nfs/dbraw/zinc/27/65/63/518276563.db2.gz JRHTXOQPDJKMKJ-UHFFFAOYSA-N 1 0 364.446 2.618 20 5 FFBDRO C[NH+](C)C[C@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]1)c1ccc(Cl)cc1 ZINC000569845373 518321900 /nfs/dbraw/zinc/32/19/00/518321900.db2.gz MHMHQWCCQORXRH-LBPRGKRZSA-N 1 0 350.806 2.652 20 5 FFBDRO O=[N+]([O-])c1cnc(N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c(Br)c1 ZINC000575902772 518336768 /nfs/dbraw/zinc/33/67/68/518336768.db2.gz ZYCSXBFBOVAQEF-QWRGUYRKSA-N 1 0 355.236 2.578 20 5 FFBDRO O=[N+]([O-])c1cnc(N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c(Br)c1 ZINC000575902771 518336859 /nfs/dbraw/zinc/33/68/59/518336859.db2.gz ZYCSXBFBOVAQEF-MNOVXSKESA-N 1 0 355.236 2.578 20 5 FFBDRO CCc1cc(NC[C@@H](C)[N@H+](C)C2CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000567097662 518350321 /nfs/dbraw/zinc/35/03/21/518350321.db2.gz HSHULQGGDOWBCW-CYBMUJFWSA-N 1 0 355.442 2.931 20 5 FFBDRO Cc1ccc(C[C@@H](C)[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000576030007 518395307 /nfs/dbraw/zinc/39/53/07/518395307.db2.gz JRPFRPNXRWQYRT-GFCCVEGCSA-N 1 0 368.480 2.959 20 5 FFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1cc(=O)n2ccccc2n1 ZINC000578875309 518416043 /nfs/dbraw/zinc/41/60/43/518416043.db2.gz OJXHBECUTCKCDO-AWEZNQCLSA-N 1 0 352.394 2.714 20 5 FFBDRO O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1CCCc2nc[nH]c21 ZINC000570144397 518461274 /nfs/dbraw/zinc/46/12/74/518461274.db2.gz CDHUGONXTGWDQT-CYBMUJFWSA-N 1 0 353.382 2.578 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CCc2ccccc2Cl)cc1 ZINC000570154456 518466673 /nfs/dbraw/zinc/46/66/73/518466673.db2.gz CAIMYLNRBYRIQB-UHFFFAOYSA-N 1 0 368.842 2.854 20 5 FFBDRO CCC[N@@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)C1 ZINC000576192022 518472247 /nfs/dbraw/zinc/47/22/47/518472247.db2.gz MBSPUHHYEDTVPF-AWEZNQCLSA-N 1 0 366.437 2.714 20 5 FFBDRO Cc1[nH]c2ccccc2c1CC[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000570202154 518493502 /nfs/dbraw/zinc/49/35/02/518493502.db2.gz UQBLDTDJFKEJFT-HNNXBMFYSA-N 1 0 369.421 2.957 20 5 FFBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])C[C@@H]21 ZINC000573083530 518499037 /nfs/dbraw/zinc/49/90/37/518499037.db2.gz YNNTVLMLVXLMGP-JIMOISOXSA-N 1 0 357.332 2.813 20 5 FFBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])C[C@@H]21 ZINC000573083532 518500000 /nfs/dbraw/zinc/50/00/00/518500000.db2.gz YNNTVLMLVXLMGP-TVYUQYBPSA-N 1 0 357.332 2.813 20 5 FFBDRO C[C@H](C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])Oc1ccccc1F ZINC000579103340 518522202 /nfs/dbraw/zinc/52/22/02/518522202.db2.gz JBIKHJPELRSFRY-KGLIPLIRSA-N 1 0 364.373 2.531 20 5 FFBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCC(CCC[N@H+](C)CCOC)CC1 ZINC000576306933 518526875 /nfs/dbraw/zinc/52/68/75/518526875.db2.gz QOPUOOHLVYDWDR-UHFFFAOYSA-N 1 0 367.494 2.694 20 5 FFBDRO O=C(c1ccccc1)N1CC[C@@H](CN2CCc3ncc([N+](=O)[O-])cc3C2)C1 ZINC000582015250 518547340 /nfs/dbraw/zinc/54/73/40/518547340.db2.gz FQTQEVUGPRZGTA-HNNXBMFYSA-N 1 0 366.421 2.510 20 5 FFBDRO CC(C)(C)[C@@H]1C[C@@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000579228608 518583582 /nfs/dbraw/zinc/58/35/82/518583582.db2.gz USQNFOTUIOORNR-LXZKKBNFSA-N 1 0 352.431 2.518 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)cc1SC ZINC000579343082 518636041 /nfs/dbraw/zinc/63/60/41/518636041.db2.gz BKDAJPUTFQFSFW-TUAOUCFPSA-N 1 0 367.471 2.771 20 5 FFBDRO C[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc2[nH]c(=O)oc2c1 ZINC000586790637 518642968 /nfs/dbraw/zinc/64/29/68/518642968.db2.gz YBKXJVDXZAJGQB-SNVBAGLBSA-N 1 0 356.338 2.731 20 5 FFBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000564840974 518645708 /nfs/dbraw/zinc/64/57/08/518645708.db2.gz YCLPSJVCFWIDDN-KRWDZBQOSA-N 1 0 367.833 2.619 20 5 FFBDRO COc1ccccc1C1(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000564846550 518648468 /nfs/dbraw/zinc/64/84/68/518648468.db2.gz AKIXIXGSEDBSNT-INIZCTEOSA-N 1 0 372.421 2.665 20 5 FFBDRO C[C@H]1C[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CCC1(F)F ZINC000582329516 518698670 /nfs/dbraw/zinc/69/86/70/518698670.db2.gz VIVALWDXEGVTEJ-NSHDSACASA-N 1 0 355.341 2.870 20 5 FFBDRO C[C@@H](NC(=O)N1CCc2ccccc2[C@H]1C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000564935547 518703625 /nfs/dbraw/zinc/70/36/25/518703625.db2.gz DMYGHDLRQQHIQZ-FZKQIMNGSA-N 1 0 354.410 2.924 20 5 FFBDRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)Cc3c([N+](=O)[O-])ncn3C)C2)s1 ZINC000565051389 518762564 /nfs/dbraw/zinc/76/25/64/518762564.db2.gz MVBRMWYSMVGFLL-AWEZNQCLSA-N 1 0 363.487 2.652 20 5 FFBDRO C[C@@]1(NC(=O)Cc2ccccc2[N+](=O)[O-])CC[N@H+](Cc2ccccc2)C1 ZINC000565063702 518770046 /nfs/dbraw/zinc/77/00/46/518770046.db2.gz DXECCKJDSVIROV-HXUWFJFHSA-N 1 0 353.422 2.918 20 5 FFBDRO Cc1c(NC(=O)CCN2CCCC[C@H]2[C@@H]2CCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000573670270 518778881 /nfs/dbraw/zinc/77/88/81/518778881.db2.gz PFBSNDUGAYMIPI-WMZOPIPTSA-N 1 0 360.458 2.838 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](O)COc1ccc(C)cc1C ZINC000582542058 518803919 /nfs/dbraw/zinc/80/39/19/518803919.db2.gz XAQNUORMXWPHMP-QGZVFWFLSA-N 1 0 360.410 2.750 20 5 FFBDRO Cc1cc(N[C@H]2CCC[C@H](S(C)(=O)=O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000579880591 518898957 /nfs/dbraw/zinc/89/89/57/518898957.db2.gz BRZUCQJCTIWIDO-JSGCOSHPSA-N 1 0 363.439 2.641 20 5 FFBDRO CSc1ccc(F)cc1C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000573954124 518916721 /nfs/dbraw/zinc/91/67/21/518916721.db2.gz MFHKTPBAACOTBW-OAHLLOKOSA-N 1 0 366.414 2.985 20 5 FFBDRO COc1ccc(-c2ccc(C[N@@H+]3CC[C@@H](CC(N)=O)C3)o2)c([N+](=O)[O-])c1 ZINC000589209245 518950580 /nfs/dbraw/zinc/95/05/80/518950580.db2.gz BARCJYZNZNUGRR-LBPRGKRZSA-N 1 0 359.382 2.561 20 5 FFBDRO CC(C)(C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])Oc1ccccc1 ZINC000582959773 519008293 /nfs/dbraw/zinc/00/82/93/519008293.db2.gz NBPAKUHBUSUYNM-HNNXBMFYSA-N 1 0 360.410 2.782 20 5 FFBDRO CCOc1cc(N2CC[NH+](CCc3ccncc3)CC2)ccc1[N+](=O)[O-] ZINC000583053714 519053888 /nfs/dbraw/zinc/05/38/88/519053888.db2.gz RBWYKYPATSMQTP-UHFFFAOYSA-N 1 0 356.426 2.753 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N3C[C@@H]4CC[N@H+](C)[C@@H]4C3)cc2[N+](=O)[O-])CC1 ZINC000574372954 519120668 /nfs/dbraw/zinc/12/06/68/519120668.db2.gz VULFUYPQDLPDSL-QFBILLFUSA-N 1 0 372.469 2.607 20 5 FFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000574414794 519145753 /nfs/dbraw/zinc/14/57/53/519145753.db2.gz OVLQTSHSJXCXSJ-IHPCNDPISA-N 1 0 359.470 2.940 20 5 FFBDRO Cn1cc(C[NH2+]C[C@H]2CCC[C@@H](CO)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000568689883 519164377 /nfs/dbraw/zinc/16/43/77/519164377.db2.gz VWRYFBDZZILVBL-LSDHHAIUSA-N 1 0 358.442 2.884 20 5 FFBDRO C[C@@H](O)C[N@@H+]1CCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)[C@@H](C)C1 ZINC000590174898 519167522 /nfs/dbraw/zinc/16/75/22/519167522.db2.gz DFXCIZNUWNMRSN-NWDGAFQWSA-N 1 0 361.364 2.501 20 5 FFBDRO C[C@H]1COCC[N@@H+]1C1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000590386534 519212677 /nfs/dbraw/zinc/21/26/77/519212677.db2.gz ATDZRQUJBNKZMG-LBPRGKRZSA-N 1 0 367.833 2.574 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CC1(c2ccc(F)cc2)CC1 ZINC000571717431 519236623 /nfs/dbraw/zinc/23/66/23/519236623.db2.gz BRCRNXRCJMIZJA-MRXNPFEDSA-N 1 0 360.385 2.795 20 5 FFBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000565995814 519236912 /nfs/dbraw/zinc/23/69/12/519236912.db2.gz UNEHZQSEJXFOTD-MRXNPFEDSA-N 1 0 373.457 2.743 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)CCC[N@H+](C)Cc1ccco1 ZINC000566025395 519253245 /nfs/dbraw/zinc/25/32/45/519253245.db2.gz NVDYJVBCICEHKT-UHFFFAOYSA-N 1 0 374.441 2.889 20 5 FFBDRO CC[C@@H](C)[N@H+](C)CCNc1ccc([N+](=O)[O-])c(N2CCOCC2)c1F ZINC000574650893 519262871 /nfs/dbraw/zinc/26/28/71/519262871.db2.gz KZRWQEXYTPKLNH-CYBMUJFWSA-N 1 0 354.426 2.713 20 5 FFBDRO Cc1cccnc1C(C)(C)C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000568993586 519321992 /nfs/dbraw/zinc/32/19/92/519321992.db2.gz QMXYIMSBALDKPA-OAHLLOKOSA-N 1 0 359.426 2.605 20 5 FFBDRO CC[C@H](C)[NH2+][C@@H](CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)c1ccco1 ZINC000580793376 519361337 /nfs/dbraw/zinc/36/13/37/519361337.db2.gz DXCGASLDEZDDQD-NHYWBVRUSA-N 1 0 371.397 2.923 20 5 FFBDRO O=[N+]([O-])c1cc2c(ncnc2N2CC[NH+](CCc3ccccc3)CC2)s1 ZINC000583699410 519388210 /nfs/dbraw/zinc/38/82/10/519388210.db2.gz RZZBEMYRMXBTRW-UHFFFAOYSA-N 1 0 369.450 2.964 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1OC(F)F ZINC000569378678 519520741 /nfs/dbraw/zinc/52/07/41/519520741.db2.gz YNMBAXRJEZQTJV-CYBMUJFWSA-N 1 0 371.384 2.887 20 5 FFBDRO CC[NH+](CC)Cc1ccc(CNc2nccc(C(N)=O)c2[N+](=O)[O-])cc1 ZINC000581104478 519523721 /nfs/dbraw/zinc/52/37/21/519523721.db2.gz QRVMLNVTDKHEFE-UHFFFAOYSA-N 1 0 357.414 2.543 20 5 FFBDRO C[C@H]1C[NH+](CCC2CCN(c3ncc([N+](=O)[O-])cc3F)CC2)C[C@H](C)O1 ZINC000591149372 519529533 /nfs/dbraw/zinc/52/95/33/519529533.db2.gz UWMFMMRCFVBGTJ-KBPBESRZSA-N 1 0 366.437 2.845 20 5 FFBDRO CCCC[N@H+](CC)Cc1cccc(CNC(=O)c2c[nH]nc2[N+](=O)[O-])c1 ZINC000578382812 519563135 /nfs/dbraw/zinc/56/31/35/519563135.db2.gz UQVGQCXKSPDUFT-UHFFFAOYSA-N 1 0 359.430 2.870 20 5 FFBDRO CCOc1cc(N2CC[NH+](CCn3nc(C)cc3C)CC2)ccc1[N+](=O)[O-] ZINC000569583634 519620691 /nfs/dbraw/zinc/62/06/91/519620691.db2.gz SVPJOEQGVFPKQO-UHFFFAOYSA-N 1 0 373.457 2.629 20 5 FFBDRO COc1cc(C[NH2+][C@@H]([C@H]2CCCO2)C2(CO)CCC2)c([N+](=O)[O-])cc1F ZINC000602889842 519953191 /nfs/dbraw/zinc/95/31/91/519953191.db2.gz DYSFHDMNPULEAS-WBVHZDCISA-N 1 0 368.405 2.542 20 5 FFBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599973158 519978893 /nfs/dbraw/zinc/97/88/93/519978893.db2.gz QPCGWSCSEKEYTF-ONGXEEELSA-N 1 0 356.220 2.522 20 5 FFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCS(=O)(=O)c1ccc(F)cc1 ZINC000594500526 520003314 /nfs/dbraw/zinc/00/33/14/520003314.db2.gz WDVRLTZYCAJUSS-MRXNPFEDSA-N 1 0 364.398 2.785 20 5 FFBDRO C[C@H](C[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000594512977 520010171 /nfs/dbraw/zinc/01/01/71/520010171.db2.gz KAYONHVHNZRQJA-OLZOCXBDSA-N 1 0 365.430 2.879 20 5 FFBDRO C[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1nc2ccccc2[nH]1 ZINC000591723970 520012721 /nfs/dbraw/zinc/01/27/21/520012721.db2.gz XFIJSXBGIOMINY-JSGCOSHPSA-N 1 0 356.382 2.562 20 5 FFBDRO Cc1cc(C)cc(OCC[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000591729285 520014953 /nfs/dbraw/zinc/01/49/53/520014953.db2.gz XMXWVKQWOZUJOT-INIZCTEOSA-N 1 0 360.410 2.620 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]C[C@H](O)COc1ccc(F)cc1 ZINC000591759013 520027048 /nfs/dbraw/zinc/02/70/48/520027048.db2.gz PWJIYAWJKDFAAM-HNNXBMFYSA-N 1 0 368.792 2.959 20 5 FFBDRO O=[N+]([O-])c1ccc(CN2CCC[C@@H]([NH+]3CCOCC3)CC2)c(Cl)c1 ZINC000594616489 520057597 /nfs/dbraw/zinc/05/75/97/520057597.db2.gz DBKDRRJGSXOLAM-OAHLLOKOSA-N 1 0 353.850 2.935 20 5 FFBDRO CN(CCCC[NH+]1CCCCC1)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000603109743 520083962 /nfs/dbraw/zinc/08/39/62/520083962.db2.gz HGCCTHMRPGRAAR-UHFFFAOYSA-N 1 0 362.474 2.756 20 5 FFBDRO C[NH+]1CCC2(CC1)CN(c1ccc([N+](=O)[O-])c(-c3ccccc3)n1)CCO2 ZINC000591992728 520125981 /nfs/dbraw/zinc/12/59/81/520125981.db2.gz SWRULTBWZPEXJE-UHFFFAOYSA-N 1 0 368.437 2.958 20 5 FFBDRO CC[C@H]1C[N@H+](C)CCCN1C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000597605159 520132786 /nfs/dbraw/zinc/13/27/86/520132786.db2.gz NJKWFHVXFNWQBD-AWEZNQCLSA-N 1 0 369.849 2.960 20 5 FFBDRO CN1CC[NH+](CCCCNc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000608855926 520146240 /nfs/dbraw/zinc/14/62/40/520146240.db2.gz BZIKZVRQOXIALP-UHFFFAOYSA-N 1 0 371.279 2.797 20 5 FFBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000594790573 520158012 /nfs/dbraw/zinc/15/80/12/520158012.db2.gz NHBWGDCKLUZWNV-ZDUSSCGKSA-N 1 0 369.487 2.556 20 5 FFBDRO C[NH+](C)CC1CN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000597707867 520188196 /nfs/dbraw/zinc/18/81/96/520188196.db2.gz HOXZDYPKYCTVKB-UHFFFAOYSA-N 1 0 354.410 2.972 20 5 FFBDRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccc(N3CCCC3)c([N+](=O)[O-])c1)C2 ZINC000597715602 520192924 /nfs/dbraw/zinc/19/29/24/520192924.db2.gz NMWXEUPJBSFSAS-FQEVSTJZSA-N 1 0 372.469 2.753 20 5 FFBDRO Cc1nccn1CC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592132911 520206982 /nfs/dbraw/zinc/20/69/82/520206982.db2.gz PKRNTMOHDVIYGM-IYARVYRRSA-N 1 0 358.442 2.905 20 5 FFBDRO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)cc1 ZINC000594928518 520220360 /nfs/dbraw/zinc/22/03/60/520220360.db2.gz ZTMIZFGJQYIODY-LJQANCHMSA-N 1 0 358.394 2.931 20 5 FFBDRO Cc1cc(C(=O)NCCc2ccc(OCC[NH+](C)C)cc2)ccc1[N+](=O)[O-] ZINC000609182406 520222781 /nfs/dbraw/zinc/22/27/81/520222781.db2.gz WEFVBAQWSFZQEK-UHFFFAOYSA-N 1 0 371.437 2.816 20 5 FFBDRO O=C(NCc1ccccc1)[C@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000592155874 520232783 /nfs/dbraw/zinc/23/27/83/520232783.db2.gz SMDBOKALXSKZBW-SFHVURJKSA-N 1 0 353.422 2.776 20 5 FFBDRO Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)cn1 ZINC000594980575 520241724 /nfs/dbraw/zinc/24/17/24/520241724.db2.gz SPMHYOQFFDBBOR-KBXCAEBGSA-N 1 0 372.425 2.696 20 5 FFBDRO CN(CCC[N@H+](C)Cc1ccncc1)c1ncnc2sc([N+](=O)[O-])cc21 ZINC000603403081 520250306 /nfs/dbraw/zinc/25/03/06/520250306.db2.gz UNYIJXPVYYQFPB-UHFFFAOYSA-N 1 0 372.454 2.953 20 5 FFBDRO CCCc1n[nH]c(C(=O)N(C)CCCC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000603407234 520251917 /nfs/dbraw/zinc/25/19/17/520251917.db2.gz RFROPJORGDIWPN-UHFFFAOYSA-N 1 0 351.451 2.609 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CCCN(c2cnn(C)c2)C1 ZINC000595027227 520262139 /nfs/dbraw/zinc/26/21/39/520262139.db2.gz QSXAAFLVZDSKLK-KBPBESRZSA-N 1 0 359.430 2.657 20 5 FFBDRO C[NH+]1CCC2(CC1)CN(C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)CCO2 ZINC000592213185 520263540 /nfs/dbraw/zinc/26/35/40/520263540.db2.gz SFJUSNVTEFYMIX-UHFFFAOYSA-N 1 0 368.821 2.577 20 5 FFBDRO Cn1ccnc1[C@H](N[C@H]1CC[N@@H+](C(C)(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000595056350 520272662 /nfs/dbraw/zinc/27/26/62/520272662.db2.gz FOPMTLYOKMYXIM-DOTOQJQBSA-N 1 0 357.458 2.880 20 5 FFBDRO C[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000595058828 520273607 /nfs/dbraw/zinc/27/36/07/520273607.db2.gz GOEXOSMGEFVTAR-QYZBVSCTSA-N 1 0 354.476 2.554 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000597854445 520284746 /nfs/dbraw/zinc/28/47/46/520284746.db2.gz HWHSYSGVYGTMFG-CQSZACIVSA-N 1 0 358.442 2.786 20 5 FFBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)cc1OC ZINC000597859346 520286209 /nfs/dbraw/zinc/28/62/09/520286209.db2.gz VBSAJZRPLOTJST-GFCCVEGCSA-N 1 0 365.430 2.605 20 5 FFBDRO COc1cc(C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)c([N+](=O)[O-])cc1F ZINC000597860547 520288947 /nfs/dbraw/zinc/28/89/47/520288947.db2.gz OHXLKGUOHDBTAV-LLVKDONJSA-N 1 0 353.394 2.593 20 5 FFBDRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000609346757 520290196 /nfs/dbraw/zinc/29/01/96/520290196.db2.gz OROBMDCDUSDMPP-GJZGRUSLSA-N 1 0 358.442 2.929 20 5 FFBDRO Cc1cc(C(=O)NCC2CC[NH+](C3CCOCC3)CC2)cc([N+](=O)[O-])c1 ZINC000597879287 520300613 /nfs/dbraw/zinc/30/06/13/520300613.db2.gz XVGZXLFVWZJVRW-UHFFFAOYSA-N 1 0 361.442 2.524 20 5 FFBDRO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000609441058 520311371 /nfs/dbraw/zinc/31/13/71/520311371.db2.gz AOPMLTVOUJBVIB-UHFFFAOYSA-N 1 0 357.385 2.912 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000597924396 520326223 /nfs/dbraw/zinc/32/62/23/520326223.db2.gz QSIGJBBKHSKHCK-ZDUSSCGKSA-N 1 0 372.425 2.511 20 5 FFBDRO CC(C)[C@H](CNC(=O)COc1cccc([N+](=O)[O-])c1)[NH+]1CCC(C)CC1 ZINC000603612316 520328004 /nfs/dbraw/zinc/32/80/04/520328004.db2.gz BNNFSHZJYYHMNV-SFHVURJKSA-N 1 0 363.458 2.846 20 5 FFBDRO CC[C@@H]1CN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC[C@H]1[NH3+] ZINC000592331899 520338609 /nfs/dbraw/zinc/33/86/09/520338609.db2.gz CAPFWYOFPLMEQL-BXUZGUMPSA-N 1 0 360.439 2.918 20 5 FFBDRO [NH3+]CCCN(CC1CCCC1)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000592337582 520340656 /nfs/dbraw/zinc/34/06/56/520340656.db2.gz GMYSBPGFHBSAAN-UHFFFAOYSA-N 1 0 371.441 2.762 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCCCC[NH+]1CCCCC1 ZINC000609543013 520351319 /nfs/dbraw/zinc/35/13/19/520351319.db2.gz AURNZBPRGGFPLP-UHFFFAOYSA-N 1 0 369.487 2.838 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+]CC2CCC(F)CC2)cc1[N+](=O)[O-] ZINC000592377271 520357799 /nfs/dbraw/zinc/35/77/99/520357799.db2.gz NSPQIGNROKOTCU-UHFFFAOYSA-N 1 0 354.378 2.765 20 5 FFBDRO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H]1SC ZINC000592399245 520368157 /nfs/dbraw/zinc/36/81/57/520368157.db2.gz FNZQKXNDSULYKF-OFSOMGBPSA-N 1 0 367.471 2.811 20 5 FFBDRO Cc1nn(Cc2ccc(C(=O)NCC[C@@H](C)[NH+](C)C)cc2)c(C)c1[N+](=O)[O-] ZINC000598000486 520369342 /nfs/dbraw/zinc/36/93/42/520369342.db2.gz VEQGWIFUSZUZAT-CYBMUJFWSA-N 1 0 373.457 2.526 20 5 FFBDRO Cc1c(CC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000595256596 520374295 /nfs/dbraw/zinc/37/42/95/520374295.db2.gz OXZTWOFKASRFKL-QZTJIDSGSA-N 1 0 371.412 2.847 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000595256094 520374651 /nfs/dbraw/zinc/37/46/51/520374651.db2.gz AVKZVFTWQGSNGB-KRWDZBQOSA-N 1 0 357.366 2.517 20 5 FFBDRO Cc1cc(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)ccc1[N+](=O)[O-] ZINC000595266844 520380505 /nfs/dbraw/zinc/38/05/05/520380505.db2.gz APOLYTNLAASGTO-IAGOWNOFSA-N 1 0 357.385 2.918 20 5 FFBDRO C[C@@H](Nc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000609620347 520382981 /nfs/dbraw/zinc/38/29/81/520382981.db2.gz YWPBESQKJORQBQ-CYBMUJFWSA-N 1 0 371.441 2.702 20 5 FFBDRO COc1ccc(CN2CC[NH2+]C[C@H]2C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000592425004 520386058 /nfs/dbraw/zinc/38/60/58/520386058.db2.gz QBVGFEKDDUMUDC-OAHLLOKOSA-N 1 0 371.437 2.976 20 5 FFBDRO CC[C@@H]1CN(Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000592427653 520388464 /nfs/dbraw/zinc/38/84/64/520388464.db2.gz NJUMTADJDFZLPM-PWSUYJOCSA-N 1 0 359.373 2.764 20 5 FFBDRO COc1cc(CNc2ccc3c(c2)OCC[NH2+]C3)c([N+](=O)[O-])cc1OC ZINC000600679231 520393400 /nfs/dbraw/zinc/39/34/00/520393400.db2.gz GMSHTVLZHXRIKE-UHFFFAOYSA-N 1 0 359.382 2.706 20 5 FFBDRO Cc1cc(S(=O)(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000609673407 520402842 /nfs/dbraw/zinc/40/28/42/520402842.db2.gz GVPOVVXVGKLYMF-OKILXGFUSA-N 1 0 369.487 2.550 20 5 FFBDRO COc1ccc(CC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)cc1[N+](=O)[O-] ZINC000609698716 520409501 /nfs/dbraw/zinc/40/95/01/520409501.db2.gz UPYZEGHVZGINDD-MRXNPFEDSA-N 1 0 351.447 2.629 20 5 FFBDRO C[NH+](C)CC[C@H](NC(=O)NCCOc1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000609710180 520412897 /nfs/dbraw/zinc/41/28/97/520412897.db2.gz YENLZYKIRYJLTL-INIZCTEOSA-N 1 0 366.462 2.639 20 5 FFBDRO O=C(CC[NH2+]C[C@H](n1cccn1)C(F)(F)F)Nc1ccccc1[N+](=O)[O-] ZINC000600749294 520446218 /nfs/dbraw/zinc/44/62/18/520446218.db2.gz WQGIRURVRGFMFP-ZDUSSCGKSA-N 1 0 371.319 2.513 20 5 FFBDRO CCOc1ccc(C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000592554597 520452884 /nfs/dbraw/zinc/45/28/84/520452884.db2.gz IQOUYINBTKOARY-HOTGVXAUSA-N 1 0 361.442 2.845 20 5 FFBDRO Cc1noc(CN(C)[C@@H](CO)c2cccc(Br)c2)c1[N+](=O)[O-] ZINC000595410705 520453009 /nfs/dbraw/zinc/45/30/09/520453009.db2.gz XTYOJZFSQNGGLZ-LBPRGKRZSA-N 1 0 370.203 2.819 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](CO)[C@H](C)c1ccccc1 ZINC000613390141 520480670 /nfs/dbraw/zinc/48/06/70/520480670.db2.gz YVCXWSAZIYNERN-BEFAXECRSA-N 1 0 371.437 2.986 20 5 FFBDRO C[C@@H](NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)C1CC[NH+](C)CC1 ZINC000610101494 520540537 /nfs/dbraw/zinc/54/05/37/520540537.db2.gz TVBPLMIWIXETDX-OAHLLOKOSA-N 1 0 362.474 2.947 20 5 FFBDRO Cc1n[nH]c(C(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c1[N+](=O)[O-] ZINC000610200267 520576272 /nfs/dbraw/zinc/57/62/72/520576272.db2.gz WOBIBWXIASNXCM-ABAIWWIYSA-N 1 0 363.443 2.501 20 5 FFBDRO O=[N+]([O-])c1ccc(OCCC[NH2+][C@H](C2CC2)C2(CO)CCOCC2)cc1 ZINC000595595424 520579055 /nfs/dbraw/zinc/57/90/55/520579055.db2.gz HRYMRBDDJVJRPY-GOSISDBHSA-N 1 0 364.442 2.521 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@H](C1CC1)C1(CO)CCOCC1 ZINC000595598209 520582756 /nfs/dbraw/zinc/58/27/56/520582756.db2.gz ZCHPCIILHHBNTK-MRXNPFEDSA-N 1 0 354.834 2.906 20 5 FFBDRO CCOc1cc(C[NH2+][C@H](CO)[C@H]2CCC[C@@H](OC)C2)ccc1[N+](=O)[O-] ZINC000595632363 520608938 /nfs/dbraw/zinc/60/89/38/520608938.db2.gz NUWGGBXVVOFLIK-ARFHVFGLSA-N 1 0 352.431 2.649 20 5 FFBDRO CCOc1cc(C[NH2+][C@H](CO)[C@H]2CCC[C@H](OC)C2)ccc1[N+](=O)[O-] ZINC000595632366 520609695 /nfs/dbraw/zinc/60/96/95/520609695.db2.gz NUWGGBXVVOFLIK-HRCADAONSA-N 1 0 352.431 2.649 20 5 FFBDRO CC(C)c1ccc(C[NH2+][C@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)cc1[N+](=O)[O-] ZINC000610272442 520615663 /nfs/dbraw/zinc/61/56/63/520615663.db2.gz SSUPUXXMRMZZDA-DYVFJYSZSA-N 1 0 371.441 2.735 20 5 FFBDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000610359984 520650184 /nfs/dbraw/zinc/65/01/84/520650184.db2.gz GZBDHCHWULFIHR-NVXWUHKLSA-N 1 0 356.426 2.635 20 5 FFBDRO COCC[N@H+](C)CCCC1CCN(c2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000601136448 520653810 /nfs/dbraw/zinc/65/38/10/520653810.db2.gz RZXMHYRWHYIIJS-UHFFFAOYSA-N 1 0 354.426 2.704 20 5 FFBDRO O=[N+]([O-])c1cc(F)cnc1NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000601140442 520655551 /nfs/dbraw/zinc/65/55/51/520655551.db2.gz ZAHXCTZGBFEOMT-MRXNPFEDSA-N 1 0 360.389 2.698 20 5 FFBDRO O=C(CCOc1ccccc1[N+](=O)[O-])NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000598508674 520666620 /nfs/dbraw/zinc/66/66/20/520666620.db2.gz HFDUSSPZVHMPSR-KRWDZBQOSA-N 1 0 369.421 2.754 20 5 FFBDRO COc1cc(C(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)c([N+](=O)[O-])cc1F ZINC000598562034 520708750 /nfs/dbraw/zinc/70/87/50/520708750.db2.gz RZOCLYSISHAXNM-CYBMUJFWSA-N 1 0 365.405 2.594 20 5 FFBDRO C[C@H]1Cc2ccccc2N1C1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000610485003 520710595 /nfs/dbraw/zinc/71/05/95/520710595.db2.gz HOCRKWNGNDOIFX-HNNXBMFYSA-N 1 0 355.442 2.707 20 5 FFBDRO CC[C@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)[C@@H](CC)CO1 ZINC000593058090 520716291 /nfs/dbraw/zinc/71/62/91/520716291.db2.gz JAMFXVQJTJECKV-ZFWWWQNUSA-N 1 0 365.430 2.821 20 5 FFBDRO COC(=O)c1ccnc(NCC2([NH+](C)C)CCCCCC2)c1[N+](=O)[O-] ZINC000598590143 520729427 /nfs/dbraw/zinc/72/94/27/520729427.db2.gz RCSBOMDKMCJTFK-UHFFFAOYSA-N 1 0 350.419 2.843 20 5 FFBDRO CC(C)(O)C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000610543163 520731772 /nfs/dbraw/zinc/73/17/72/520731772.db2.gz ZVWXIKJCYPLWMP-UHFFFAOYSA-N 1 0 352.431 2.616 20 5 FFBDRO CCN(CCC[NH+]1CCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C ZINC000598616216 520745798 /nfs/dbraw/zinc/74/57/98/520745798.db2.gz NHMJGNOAIVFJGU-UHFFFAOYSA-N 1 0 369.487 2.708 20 5 FFBDRO [NH3+][C@]12CCC[C@H]1CN(C(=O)c1csc(-c3cccc([N+](=O)[O-])c3)n1)C2 ZINC000598669048 520776101 /nfs/dbraw/zinc/77/61/01/520776101.db2.gz GWASPNKZMLUQHT-SJCJKPOMSA-N 1 0 358.423 2.672 20 5 FFBDRO CC(C)(C)OCCCN1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000610681299 520792783 /nfs/dbraw/zinc/79/27/83/520792783.db2.gz HJMVXNAKHMLEBA-UHFFFAOYSA-N 1 0 355.460 2.619 20 5 FFBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000595900231 520804392 /nfs/dbraw/zinc/80/43/92/520804392.db2.gz BSEHLUNWTJGORF-GOEBONIOSA-N 1 0 360.458 2.633 20 5 FFBDRO Cc1cc([N+](=O)[O-])nn1Cc1cccc(-c2nc([C@@H]3CCC[NH2+]3)no2)c1 ZINC000593218967 520837130 /nfs/dbraw/zinc/83/71/30/520837130.db2.gz NCHXWXKJVVXAMW-AWEZNQCLSA-N 1 0 354.370 2.623 20 5 FFBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000601551511 520837339 /nfs/dbraw/zinc/83/73/39/520837339.db2.gz IDBCYBQZKFWLKH-GXTWGEPZSA-N 1 0 367.833 2.618 20 5 FFBDRO O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000601560843 520842079 /nfs/dbraw/zinc/84/20/79/520842079.db2.gz NVVQAGIDYSENAK-ZFWWWQNUSA-N 1 0 354.366 2.965 20 5 FFBDRO COc1ccc(OCC[N@@H+]2CCOCC3(CCCC3)C2)c([N+](=O)[O-])c1 ZINC000614222587 520856035 /nfs/dbraw/zinc/85/60/35/520856035.db2.gz FJXKDZYNDGAGSI-UHFFFAOYSA-N 1 0 350.415 2.875 20 5 FFBDRO CC1(C)C[N@H+](Cc2ccccc2)C(C)(C)CN1C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000598912670 520913561 /nfs/dbraw/zinc/91/35/61/520913561.db2.gz ILQAGHVDQOPEDD-UHFFFAOYSA-N 1 0 371.441 2.833 20 5 FFBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000593409384 520972418 /nfs/dbraw/zinc/97/24/18/520972418.db2.gz URAZENQLWPQKQP-OKILXGFUSA-N 1 0 351.422 2.761 20 5 FFBDRO CC[N@@H+]1CCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000611092119 520981220 /nfs/dbraw/zinc/98/12/20/520981220.db2.gz JDHZPBLESAPXLX-RYUDHWBXSA-N 1 0 354.838 2.601 20 5 FFBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000599021173 520986248 /nfs/dbraw/zinc/98/62/48/520986248.db2.gz SEPUVXNDGFCWTD-SFHVURJKSA-N 1 0 360.458 2.844 20 5 FFBDRO CC(C)C[NH2+]C1(CO)CCN(c2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000596255517 520995566 /nfs/dbraw/zinc/99/55/66/520995566.db2.gz YWTFRWMCNAFVNB-UHFFFAOYSA-N 1 0 358.442 2.720 20 5 FFBDRO Cn1ccnc1[C@H](NC[C@H]1CCCC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000599068654 521012248 /nfs/dbraw/zinc/01/22/48/521012248.db2.gz BNBJUDSRHMLNCF-CRAIPNDOSA-N 1 0 357.458 2.739 20 5 FFBDRO C[NH+](C)[C@@H]1[C@H]2CN(c3cc(C(F)(F)C(F)(F)F)ncc3[N+](=O)[O-])C[C@H]21 ZINC000599083790 521022448 /nfs/dbraw/zinc/02/24/48/521022448.db2.gz MTVKJXMOZVXKQP-JDICNCQASA-N 1 0 366.290 2.640 20 5 FFBDRO C[C@H]([NH2+]C[C@H]1CN(Cc2ccncc2)CCO1)c1ccc([N+](=O)[O-])cc1 ZINC000599086921 521024753 /nfs/dbraw/zinc/02/47/53/521024753.db2.gz BHVQBGCWAGWBFL-KXBFYZLASA-N 1 0 356.426 2.541 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1CN(Cc2ccncc2)CCO1 ZINC000599089064 521025928 /nfs/dbraw/zinc/02/59/28/521025928.db2.gz WWQQWYJHILNOBC-QFBILLFUSA-N 1 0 370.453 2.850 20 5 FFBDRO Cc1nc(N2CCO[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]32)ccc1[N+](=O)[O-] ZINC000593496580 521032277 /nfs/dbraw/zinc/03/22/77/521032277.db2.gz SNBAZHDMXYKIDF-MOPGFXCFSA-N 1 0 368.437 2.778 20 5 FFBDRO CC(C)(C)Oc1cc(N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)ccc1[N+](=O)[O-] ZINC000611203184 521034592 /nfs/dbraw/zinc/03/45/92/521034592.db2.gz ORXLOHGVHZEFHW-DOTOQJQBSA-N 1 0 363.458 2.808 20 5 FFBDRO C[NH+](C)Cc1cccc(NCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)c1 ZINC000601936592 521034985 /nfs/dbraw/zinc/03/49/85/521034985.db2.gz VWZXNMDOOKOZLU-UHFFFAOYSA-N 1 0 354.410 2.658 20 5 FFBDRO C[N@@H+]1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)[C@H](Cc2ccccc2)C1 ZINC000593504852 521037059 /nfs/dbraw/zinc/03/70/59/521037059.db2.gz RTIQELCCAYCXJR-QGZVFWFLSA-N 1 0 363.421 2.901 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCO[C@@H](C(F)F)CC1 ZINC000601971036 521049129 /nfs/dbraw/zinc/04/91/29/521049129.db2.gz ABRZHGJWFBJRMF-CQSZACIVSA-N 1 0 357.357 2.588 20 5 FFBDRO O=[N+]([O-])c1cnc2ccc(N3CCC(C[NH+]4CCCCCC4)CC3)nn21 ZINC000611239542 521055103 /nfs/dbraw/zinc/05/51/03/521055103.db2.gz AQWFOIBFUSNMFJ-UHFFFAOYSA-N 1 0 358.446 2.730 20 5 FFBDRO COC(=O)c1c(Cl)c(NCCN2C[C@@H](C)OC[C@H]2C)ccc1[N+](=O)[O-] ZINC000596432188 521068773 /nfs/dbraw/zinc/06/87/73/521068773.db2.gz RCXZTOLZEKICPO-GHMZBOCLSA-N 1 0 371.821 2.556 20 5 FFBDRO CC(C)(C)OC(=O)[C@@H]1CCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611274366 521073314 /nfs/dbraw/zinc/07/33/14/521073314.db2.gz HMPWKKVXTRWEGE-GFCCVEGCSA-N 1 0 364.398 2.530 20 5 FFBDRO COC(=O)c1cc(C)nc(N[C@@H]2CC[N@@H+](C3CCCCC3)C2)c1[N+](=O)[O-] ZINC000596477543 521091545 /nfs/dbraw/zinc/09/15/45/521091545.db2.gz AUIDCIPJSCHFEH-CYBMUJFWSA-N 1 0 362.430 2.904 20 5 FFBDRO COC(=O)COc1ccc(C[NH+]2CCC3(CC3(F)F)CC2)cc1[N+](=O)[O-] ZINC000593671270 521143006 /nfs/dbraw/zinc/14/30/06/521143006.db2.gz HYIIYKIVPOHVPY-UHFFFAOYSA-N 1 0 370.352 2.768 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](NC[C@H]2CCC[N@H+]2CCCO)C(F)(F)F)cc1 ZINC000593713127 521169830 /nfs/dbraw/zinc/16/98/30/521169830.db2.gz UXAFWIIPHFVWOZ-HUUCEWRRSA-N 1 0 361.364 2.635 20 5 FFBDRO C[NH2+]Cc1ccccc1CNC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000593717494 521172424 /nfs/dbraw/zinc/17/24/24/521172424.db2.gz JBPPTSNSPJHMQB-UHFFFAOYSA-N 1 0 356.426 2.698 20 5 FFBDRO CC[C@H]([NH2+][C@H]1C[C@H](C)N(c2cnn(C)c2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000611475247 521175934 /nfs/dbraw/zinc/17/59/34/521175934.db2.gz GZMRNMUDLUNAJX-ZLIFDBKOSA-N 1 0 357.414 2.563 20 5 FFBDRO CCO[C@@H](C[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1)C1CC1 ZINC000599371676 521180900 /nfs/dbraw/zinc/18/09/00/521180900.db2.gz PEPOTCLLMOYNOP-SFHVURJKSA-N 1 0 373.457 2.798 20 5 FFBDRO O=[N+]([O-])c1ccc(CCO)c(-c2ccc(CC[NH+]3CCOCC3)cc2)c1 ZINC000596645922 521186294 /nfs/dbraw/zinc/18/62/94/521186294.db2.gz JXBJIBIJGQXNTC-UHFFFAOYSA-N 1 0 356.422 2.671 20 5 FFBDRO CCOc1cc(N2CC[NH+](C[C@H](OCC)C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000599390803 521193571 /nfs/dbraw/zinc/19/35/71/521193571.db2.gz QTEVERQHHYAWTI-IBGZPJMESA-N 1 0 363.458 2.931 20 5 FFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000611522876 521200786 /nfs/dbraw/zinc/20/07/86/521200786.db2.gz IJKGQUPMDJYLFU-XNHLSEOASA-N 1 0 358.486 2.899 20 5 FFBDRO C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(-n2cncn2)cc1 ZINC000611562219 521221365 /nfs/dbraw/zinc/22/13/65/521221365.db2.gz UFQJDDRNXJSFBH-GFCCVEGCSA-N 1 0 363.381 2.903 20 5 FFBDRO C[C@H](NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000611614800 521249019 /nfs/dbraw/zinc/24/90/19/521249019.db2.gz ARIQBJYFRYMPBX-JTQLQIEISA-N 1 0 357.357 2.656 20 5 FFBDRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4o3)C2)C1 ZINC000593911188 521287011 /nfs/dbraw/zinc/28/70/11/521287011.db2.gz FMFWGTOQTZAMKE-SUYBPPKGSA-N 1 0 373.409 2.700 20 5 FFBDRO C[C@H]1C[C@H](N(C)C(=O)c2c(Br)cccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000599567844 521304037 /nfs/dbraw/zinc/30/40/37/521304037.db2.gz POBTVZMUECJYRO-WDEREUQCSA-N 1 0 370.247 2.912 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000599587991 521312601 /nfs/dbraw/zinc/31/26/01/521312601.db2.gz NCHSQHDDHBCFAW-CMPLNLGQSA-N 1 0 360.336 2.894 20 5 FFBDRO Cn1cc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c([N+](=O)[O-])n1 ZINC000602481692 521369939 /nfs/dbraw/zinc/36/99/39/521369939.db2.gz CTQRBOLFCYRHCI-IEBWSBKVSA-N 1 0 369.469 2.815 20 5 FFBDRO CC(=O)N1CC[C@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602496028 521379132 /nfs/dbraw/zinc/37/91/32/521379132.db2.gz ZLHUQLSQBLKOOB-GFCCVEGCSA-N 1 0 359.348 2.914 20 5 FFBDRO O=C(NCC[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)c1ccco1 ZINC000602507653 521384708 /nfs/dbraw/zinc/38/47/08/521384708.db2.gz QBPPYMIOBJPEML-UHFFFAOYSA-N 1 0 374.216 2.531 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCN3Cc4ccccc4C3)CC2)cn1 ZINC000602508391 521386130 /nfs/dbraw/zinc/38/61/30/521386130.db2.gz BUBOXBPBEWABDV-UHFFFAOYSA-N 1 0 367.453 2.564 20 5 FFBDRO COc1cccc(C[C@H]([NH3+])C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000602516171 521390558 /nfs/dbraw/zinc/39/05/58/521390558.db2.gz JCSIJSUWJQFEFH-IBGZPJMESA-N 1 0 369.421 2.664 20 5 FFBDRO [NH3+]C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[C@H]1C(F)(F)F ZINC000602538947 521400713 /nfs/dbraw/zinc/40/07/13/521400713.db2.gz GAHJESNXDQRPSO-GZMMTYOYSA-N 1 0 365.739 2.848 20 5 FFBDRO C[NH+](C)CCn1cc(NCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cn1 ZINC000602535745 521400979 /nfs/dbraw/zinc/40/09/79/521400979.db2.gz RNYMCJVDLYWTTQ-UHFFFAOYSA-N 1 0 357.336 2.984 20 5 FFBDRO [NH3+]C[C@@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC[C@H]1C(F)(F)F ZINC000602540253 521402518 /nfs/dbraw/zinc/40/25/18/521402518.db2.gz KSWHENNIGUHTJR-TZMCWYRMSA-N 1 0 359.348 2.513 20 5 FFBDRO C[C@@H](c1ccccc1)[C@@H](CO)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602547490 521405812 /nfs/dbraw/zinc/40/58/12/521405812.db2.gz PSTFYPZKPDXVFC-HNAYVOBHSA-N 1 0 370.453 2.713 20 5 FFBDRO Cc1c(NC(=O)N2CCC(C)([NH+]3CCOCC3)CC2)cccc1[N+](=O)[O-] ZINC000599701759 521412303 /nfs/dbraw/zinc/41/23/03/521412303.db2.gz JMLYPVAVBDOSDU-UHFFFAOYSA-N 1 0 362.430 2.622 20 5 FFBDRO CCC(CC)(CCO)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602561032 521412379 /nfs/dbraw/zinc/41/23/79/521412379.db2.gz PPKRZGNYQSNCNA-UHFFFAOYSA-N 1 0 350.463 2.737 20 5 FFBDRO COCCOC[C@H](C)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602567938 521414741 /nfs/dbraw/zinc/41/47/41/521414741.db2.gz OTBJXDNPTPZMNS-QMMMGPOBSA-N 1 0 353.238 2.560 20 5 FFBDRO Cc1noc(C)c1[C@H](C)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602572527 521416346 /nfs/dbraw/zinc/41/63/46/521416346.db2.gz QEHJDLFFHIHNAW-GFCCVEGCSA-N 1 0 359.430 2.957 20 5 FFBDRO C[NH+](C)CCc1ccc(CNc2ncnc3ccc([N+](=O)[O-])cc32)cc1 ZINC000615525907 521430182 /nfs/dbraw/zinc/43/01/82/521430182.db2.gz AEOGTXUSCVXXEM-UHFFFAOYSA-N 1 0 351.410 2.676 20 5 FFBDRO O=C1[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CCN1Cc1ccc(F)cc1 ZINC000602632473 521447607 /nfs/dbraw/zinc/44/76/07/521447607.db2.gz ULDQNSKDRHYAAU-SFHVURJKSA-N 1 0 357.385 2.667 20 5 FFBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@H]3CCN(c4ccccc4)C3)CC2)n1 ZINC000602641929 521454110 /nfs/dbraw/zinc/45/41/10/521454110.db2.gz VTLCRTHZKSPSSY-MRXNPFEDSA-N 1 0 355.442 2.955 20 5 FFBDRO CN1C(=O)NCC12CC[NH+](Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])CC2 ZINC000602691078 521481978 /nfs/dbraw/zinc/48/19/78/521481978.db2.gz BLUOHRNLBTWFCB-UHFFFAOYSA-N 1 0 372.347 2.603 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H](CCO)c3ccccc3F)CC2)cn1 ZINC000602697398 521483332 /nfs/dbraw/zinc/48/33/32/521483332.db2.gz PKZNUYHEHYAJPW-GOSISDBHSA-N 1 0 374.416 2.811 20 5 FFBDRO CO[C@H](C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)[C@@H]1CCOC1 ZINC000602705001 521488058 /nfs/dbraw/zinc/48/80/58/521488058.db2.gz JGWNORXICLPFSJ-LDYMZIIASA-N 1 0 365.249 2.560 20 5 FFBDRO C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12)C1CC[NH+](C)CC1 ZINC000599830044 521498057 /nfs/dbraw/zinc/49/80/57/521498057.db2.gz PQYOAXYDERTBBI-LBPRGKRZSA-N 1 0 357.414 2.995 20 5 FFBDRO O=C(Nc1ccc([N+](=O)[O-])c2ccncc12)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000599829933 521498193 /nfs/dbraw/zinc/49/81/93/521498193.db2.gz NNAWWWYMZZNRQA-ZDUSSCGKSA-N 1 0 355.398 2.845 20 5 FFBDRO Nc1c(NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc(Cl)cc1[N+](=O)[O-] ZINC000597093945 521499201 /nfs/dbraw/zinc/49/92/01/521499201.db2.gz CYBVNAUCLLCZOB-ZYHUDNBSSA-N 1 0 353.810 2.579 20 5 FFBDRO Nc1c(NC(=O)NC2CC[NH+](CC3CC3)CC2)cc(Cl)cc1[N+](=O)[O-] ZINC000597094387 521499310 /nfs/dbraw/zinc/49/93/10/521499310.db2.gz GUTFXENQLMYQIO-UHFFFAOYSA-N 1 0 367.837 2.826 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@@H](Cn4ccnn4)C3)o2)cc1 ZINC000597172750 521554724 /nfs/dbraw/zinc/55/47/24/521554724.db2.gz BYZWXFHSAPASLB-CQSZACIVSA-N 1 0 353.382 2.968 20 5 FFBDRO Cn1cc(C[N@@H+]2CCC[C@@](O)(C3CC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000597203912 521572657 /nfs/dbraw/zinc/57/26/57/521572657.db2.gz ANWGPEJWZWTFEK-IBGZPJMESA-N 1 0 356.426 2.732 20 5 FFBDRO Nc1cc(NC[C@@H](c2cccs2)[NH+]2CCCC2)cc(CO)c1[N+](=O)[O-] ZINC000619570087 521772322 /nfs/dbraw/zinc/77/23/22/521772322.db2.gz KENLQFZBRCSCCW-HNNXBMFYSA-N 1 0 362.455 2.980 20 5 FFBDRO COCC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)C1 ZINC000485396634 561318282 /nfs/dbraw/zinc/31/82/82/561318282.db2.gz XOWUVJNAFBNZOZ-OAHLLOKOSA-N 1 0 360.389 2.929 20 5 FFBDRO CC[NH+]1CCN(CCNc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC1 ZINC000485408205 561318426 /nfs/dbraw/zinc/31/84/26/561318426.db2.gz PZZVGMXKZSIHHL-UHFFFAOYSA-N 1 0 373.432 2.845 20 5 FFBDRO Cc1nc(NCc2cccc(OCCN3CCOCC3)c2)ccc1[N+](=O)[O-] ZINC000471622576 561009004 /nfs/dbraw/zinc/00/90/04/561009004.db2.gz WPVZHFVLXADWIL-UHFFFAOYSA-N 1 0 372.425 2.621 20 5 FFBDRO COc1ccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1-c1nn[nH]n1 ZINC000826201946 607532440 /nfs/dbraw/zinc/53/24/40/607532440.db2.gz IVQOLOCNCDFNED-NSHDSACASA-N 1 0 354.370 2.634 20 5 FFBDRO C[C@H](Nc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824648955 609314598 /nfs/dbraw/zinc/31/45/98/609314598.db2.gz JZBURIHZBFYHHJ-GXTWGEPZSA-N 1 0 371.445 2.840 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC000826497931 609345967 /nfs/dbraw/zinc/34/59/67/609345967.db2.gz ZHTYLCHKCRQLFE-UHFFFAOYSA-N 1 0 358.789 2.761 20 5 FFBDRO O=[N+]([O-])c1c(Cl)ccnc1N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164721710 720334495 /nfs/dbraw/zinc/33/44/95/720334495.db2.gz DBOXSGZSFROOPK-CABCVRRESA-N 1 0 359.817 2.891 20 5 FFBDRO CCCC[NH+]1CCC(NS(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)CC1 ZINC000154266155 728800309 /nfs/dbraw/zinc/80/03/09/728800309.db2.gz XOTZSFHIRRMHGG-UHFFFAOYSA-N 1 0 373.450 2.585 20 5 FFBDRO CC[C@@H]1CN(CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)CCS1 ZINC000154772767 728811545 /nfs/dbraw/zinc/81/15/45/728811545.db2.gz UKOZCLXDIAABFV-CYBMUJFWSA-N 1 0 350.444 2.622 20 5 FFBDRO CCC[C@@H]1CN(c2ccc([N+](=O)[O-])cc2COC)CC[N@@H+]1CCOC ZINC000162458199 728945374 /nfs/dbraw/zinc/94/53/74/728945374.db2.gz MOBZJVNHXVWTOD-QGZVFWFLSA-N 1 0 351.447 2.678 20 5 FFBDRO CC[C@@H](C(=O)O[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])[NH+](CC)CC ZINC000745096498 735399337 /nfs/dbraw/zinc/39/93/37/735399337.db2.gz WTRABZZGPCBOHW-JSGCOSHPSA-N 1 0 351.403 2.585 20 5 FFBDRO O=[N+]([O-])c1ccc(Br)cc1NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091672677 728460942 /nfs/dbraw/zinc/46/09/42/728460942.db2.gz YTOONPZCDIWBCI-NEPJUHHUSA-N 1 0 356.220 2.632 20 5 FFBDRO Cc1cc(S(=O)(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)cc([N+](=O)[O-])c1F ZINC000093002858 728473074 /nfs/dbraw/zinc/47/30/74/728473074.db2.gz RATZDHMMJFDJSX-ZDUSSCGKSA-N 1 0 373.450 2.537 20 5 FFBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H](O)COCc1ccco1 ZINC000120764725 728615051 /nfs/dbraw/zinc/61/50/51/728615051.db2.gz CTWGCJVNRMFIBV-AWEZNQCLSA-N 1 0 354.790 2.851 20 5 FFBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC000132272522 728724049 /nfs/dbraw/zinc/72/40/49/728724049.db2.gz MIGFUFWFQFKQJW-CYBMUJFWSA-N 1 0 373.450 2.585 20 5 FFBDRO C[NH+](C)CCN(C1CCCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000152193000 728749565 /nfs/dbraw/zinc/74/95/65/728749565.db2.gz RBXQYBSTSSMZGU-UHFFFAOYSA-N 1 0 361.489 2.541 20 5 FFBDRO COC(=O)CC[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C1CCOCC1 ZINC000174440779 729071996 /nfs/dbraw/zinc/07/19/96/729071996.db2.gz JDPSEPJJXGCFPS-UHFFFAOYSA-N 1 0 356.806 2.792 20 5 FFBDRO CCn1nc(C)c([N+](=O)[O-])c1NCC1([NH+]2CCSCC2)CCCC1 ZINC000192494299 729425736 /nfs/dbraw/zinc/42/57/36/729425736.db2.gz PALJAICEAUOCGC-UHFFFAOYSA-N 1 0 353.492 2.893 20 5 FFBDRO CNC(=O)C1([NH2+]Cc2ccc(Br)c([N+](=O)[O-])c2)CCCC1 ZINC000779176935 738441725 /nfs/dbraw/zinc/44/17/25/738441725.db2.gz UYQZDGDMJZGPBQ-UHFFFAOYSA-N 1 0 356.220 2.506 20 5 FFBDRO COCC[N@@H+]1CCC[C@H]1CNc1cccc(Br)c1[N+](=O)[O-] ZINC000856728637 730350948 /nfs/dbraw/zinc/35/09/48/730350948.db2.gz XCUIOPURIVIRTB-NSHDSACASA-N 1 0 358.236 2.880 20 5 FFBDRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000857184884 730383674 /nfs/dbraw/zinc/38/36/74/730383674.db2.gz MYMJVYTURZGXNF-GHMZBOCLSA-N 1 0 356.220 2.570 20 5 FFBDRO CC[NH+](CC)CCN(CCOC)C(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000859226931 730446194 /nfs/dbraw/zinc/44/61/94/730446194.db2.gz YIWTTYRXBHHEIF-UHFFFAOYSA-N 1 0 357.838 2.679 20 5 FFBDRO CO[C@@H]1C[N@H+](C)[C@@](C)(COC(=O)c2cccc(SC)c2[N+](=O)[O-])C1 ZINC000861349815 730602912 /nfs/dbraw/zinc/60/29/12/730602912.db2.gz VUJIKWNTCMTFHF-MEDUHNTESA-N 1 0 354.428 2.583 20 5 FFBDRO Cc1c(NC(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)cccc1[N+](=O)[O-] ZINC000925138530 738481244 /nfs/dbraw/zinc/48/12/44/738481244.db2.gz HINXVWRCUKEHSD-UKRRQHHQSA-N 1 0 350.444 2.605 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCN(c3cc[nH+]cc3C(F)(F)F)CC2)cn1 ZINC000865437244 730955026 /nfs/dbraw/zinc/95/50/26/730955026.db2.gz DQDZYGHRHAEPFH-UHFFFAOYSA-N 1 0 353.304 2.730 20 5 FFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CCC[C@H](C(=O)N(C)C)C1 ZINC000866267868 731045203 /nfs/dbraw/zinc/04/52/03/731045203.db2.gz XZCJTYZSGREPRV-IVMMDQJWSA-N 1 0 351.422 2.902 20 5 FFBDRO Cn1cc(C(F)F)c(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000866565994 731074619 /nfs/dbraw/zinc/07/46/19/731074619.db2.gz WFHYQCRMMSFICY-AAEUAGOBSA-N 1 0 354.361 2.736 20 5 FFBDRO O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000868145100 731263306 /nfs/dbraw/zinc/26/33/06/731263306.db2.gz JSMPWOQGODZHFD-AAEUAGOBSA-N 1 0 358.320 2.972 20 5 FFBDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000868424157 731291013 /nfs/dbraw/zinc/29/10/13/731291013.db2.gz YEBCHJHPKVUUBA-NSHDSACASA-N 1 0 372.263 2.745 20 5 FFBDRO CC[C@@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC)C(=O)N1CCOCC1 ZINC000872040724 731723488 /nfs/dbraw/zinc/72/34/88/731723488.db2.gz BRXMNKCXVYRUAQ-IUODEOHRSA-N 1 0 367.471 2.605 20 5 FFBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H]1COC2(CCOCC2)O1 ZINC000872058528 731724842 /nfs/dbraw/zinc/72/48/42/731724842.db2.gz VMKDCBJPEABOPW-TZMCWYRMSA-N 1 0 368.455 2.889 20 5 FFBDRO CNC(=O)[C@H](CCSC)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872073427 731726750 /nfs/dbraw/zinc/72/67/50/731726750.db2.gz QWSHBHPSOXTOCA-GWCFXTLKSA-N 1 0 357.501 2.835 20 5 FFBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1CCCN1CCCO ZINC000872074963 731726843 /nfs/dbraw/zinc/72/68/43/731726843.db2.gz KZMFBUCGGWYIEK-ZFWWWQNUSA-N 1 0 353.488 2.814 20 5 FFBDRO Cc1c(C[NH2+]Cc2ccc(N(C)S(C)(=O)=O)cc2)cccc1[N+](=O)[O-] ZINC000873051692 731868348 /nfs/dbraw/zinc/86/83/48/731868348.db2.gz MYSRXAMPEGJQLJ-UHFFFAOYSA-N 1 0 363.439 2.589 20 5 FFBDRO COc1ccc(OC)c([C@H](O)[C@H](C)[NH2+]Cc2csc([N+](=O)[O-])c2)c1 ZINC000873196609 731889598 /nfs/dbraw/zinc/88/95/98/731889598.db2.gz SUWBFYPSMOEIRM-MGPLVRAMSA-N 1 0 352.412 2.885 20 5 FFBDRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000874830730 732104753 /nfs/dbraw/zinc/10/47/53/732104753.db2.gz SSOOZDBWODIGQO-KBPBESRZSA-N 1 0 355.797 2.625 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000876111917 732217531 /nfs/dbraw/zinc/21/75/31/732217531.db2.gz ZRVLFSDVOQJXTK-UHFFFAOYSA-N 1 0 350.419 2.988 20 5 FFBDRO [NH3+][C@@H]1CCCCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 ZINC000877126191 732326367 /nfs/dbraw/zinc/32/63/67/732326367.db2.gz GAEVZYXKKARCAN-SNVBAGLBSA-N 1 0 374.210 2.840 20 5 FFBDRO [NH3+][C@H]1CCCCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 ZINC000877126190 732326383 /nfs/dbraw/zinc/32/63/83/732326383.db2.gz GAEVZYXKKARCAN-JTQLQIEISA-N 1 0 374.210 2.840 20 5 FFBDRO CN(CC[NH+]1CC2(C1)CCOCC2)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000877765749 732425707 /nfs/dbraw/zinc/42/57/07/732425707.db2.gz HOJPCNBJODOSMB-UHFFFAOYSA-N 1 0 353.850 2.792 20 5 FFBDRO O=[N+]([O-])c1ccc(Cl)cc1CN1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000880207554 732865647 /nfs/dbraw/zinc/86/56/47/732865647.db2.gz HRLWENIWFTZIFT-MRXNPFEDSA-N 1 0 353.850 2.981 20 5 FFBDRO CC(C)(C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)CS(C)(=O)=O ZINC000926956840 738673863 /nfs/dbraw/zinc/67/38/63/738673863.db2.gz ZZYQUHSHHPIVOW-OAHLLOKOSA-N 1 0 354.472 2.978 20 5 FFBDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000782031406 738681746 /nfs/dbraw/zinc/68/17/46/738681746.db2.gz HLGRLJASVIBDBQ-NSHDSACASA-N 1 0 370.837 2.557 20 5 FFBDRO C[C@@H]1CN(c2ncnc3sc([N+](=O)[O-])cc32)CCN1c1cc[nH+]cc1 ZINC000882821038 733299164 /nfs/dbraw/zinc/29/91/64/733299164.db2.gz JDCDXLCRUKZDDA-LLVKDONJSA-N 1 0 356.411 2.710 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](O)C(F)(F)C(F)(F)F ZINC000883366790 733374399 /nfs/dbraw/zinc/37/43/99/733374399.db2.gz ZZFIFFNMOYDZQU-NSHDSACASA-N 1 0 358.263 2.642 20 5 FFBDRO COCc1cc([N+](=O)[O-])ccc1N1C[C@H](SC)[C@@H]([NH+]2CCCC2)C1 ZINC000782381157 738716049 /nfs/dbraw/zinc/71/60/49/738716049.db2.gz SNNHAHDDCSFXES-IRXDYDNUSA-N 1 0 351.472 2.757 20 5 FFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CO)C[C@@H]1CCCO1 ZINC000886668265 733814328 /nfs/dbraw/zinc/81/43/28/733814328.db2.gz PVCDHYMOZOUKQM-KFWWJZLASA-N 1 0 354.472 2.985 20 5 FFBDRO O=C(CN1CCCC[C@]2(CC[NH2+]C2)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000886865572 733850946 /nfs/dbraw/zinc/85/09/46/733850946.db2.gz OGRFAWRWBVJCOQ-QGZVFWFLSA-N 1 0 366.849 2.652 20 5 FFBDRO CCOc1cc(NC(=O)N2CC[C@H](C[N@H+](C)CC)C2)ccc1[N+](=O)[O-] ZINC000888834752 734103742 /nfs/dbraw/zinc/10/37/42/734103742.db2.gz PSKLQOVGECGRHK-CYBMUJFWSA-N 1 0 350.419 2.799 20 5 FFBDRO CCOc1cc(NC(=O)NC2CC[NH+](C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000888836068 734104139 /nfs/dbraw/zinc/10/41/39/734104139.db2.gz KZDSGRAUFWJYEA-UHFFFAOYSA-N 1 0 350.419 2.988 20 5 FFBDRO CS(=O)(=O)Nc1cccc(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)c1 ZINC000783597439 738817934 /nfs/dbraw/zinc/81/79/34/738817934.db2.gz DHIBESOMZSYHEA-UHFFFAOYSA-N 1 0 369.830 2.910 20 5 FFBDRO COc1c(O)ccc(C[NH2+]CCOc2ccc(F)cc2F)c1[N+](=O)[O-] ZINC000892914236 734622338 /nfs/dbraw/zinc/62/23/38/734622338.db2.gz OPFYPESMTZQKEN-UHFFFAOYSA-N 1 0 354.309 2.756 20 5 FFBDRO CC(C)[NH2+][C@@H]1CCCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000731032980 734663073 /nfs/dbraw/zinc/66/30/73/734663073.db2.gz RHMPQZKDAHHRTJ-CYBMUJFWSA-N 1 0 354.838 2.649 20 5 FFBDRO CN(c1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000733894197 734856620 /nfs/dbraw/zinc/85/66/20/734856620.db2.gz ZDJSKSQSCYCQRZ-OAHLLOKOSA-N 1 0 352.866 2.853 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@@H](O)C3CC3)CC2)c(C(F)(F)F)c1 ZINC000734142084 734876499 /nfs/dbraw/zinc/87/64/99/734876499.db2.gz MDOVAFDMXJJULU-OAHLLOKOSA-N 1 0 359.348 2.507 20 5 FFBDRO COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000735491018 734948099 /nfs/dbraw/zinc/94/80/99/734948099.db2.gz ZZJIATBZBNXKPU-STQMWFEESA-N 1 0 369.849 2.611 20 5 FFBDRO C[C@@]1([C@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])c(Cl)c3)C2)COC(=O)N1 ZINC000896394748 735152417 /nfs/dbraw/zinc/15/24/17/735152417.db2.gz FSJLNRIASNBVPG-LRDDRELGSA-N 1 0 353.806 2.959 20 5 FFBDRO COc1c(O)ccc(C[NH2+]CC[C@H]2CC[C@@H](C(F)(F)F)O2)c1[N+](=O)[O-] ZINC000896810518 735184419 /nfs/dbraw/zinc/18/44/19/735184419.db2.gz VWBPGUSJUGRXDG-PWSUYJOCSA-N 1 0 364.320 2.899 20 5 FFBDRO O=C(C[N@@H+]1CCC[C@@H]([C@@H]2CCOC2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000749561892 735731669 /nfs/dbraw/zinc/73/16/69/735731669.db2.gz QOYJDUBXPUOMQY-CHWSQXEVSA-N 1 0 367.833 2.935 20 5 FFBDRO CN(C)Cc1csc(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000903218697 736057564 /nfs/dbraw/zinc/05/75/64/736057564.db2.gz BRJREDJSHPYNQA-UONOGXRCSA-N 1 0 364.475 2.583 20 5 FFBDRO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC[C@]12CC[NH2+]C2 ZINC000904302789 736242177 /nfs/dbraw/zinc/24/21/77/736242177.db2.gz YRTKSWOIDJDKRY-OAHLLOKOSA-N 1 0 356.329 2.556 20 5 FFBDRO Cc1c(Cc2noc(C(F)(F)C3CC[NH2+]CC3)n2)cccc1[N+](=O)[O-] ZINC000904626203 736262985 /nfs/dbraw/zinc/26/29/85/736262985.db2.gz IACZCHKNRNLZCM-UHFFFAOYSA-N 1 0 352.341 2.968 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]C[C@@H](O)C[C@H](O)c1ccccc1 ZINC000905199876 736308906 /nfs/dbraw/zinc/30/89/06/736308906.db2.gz CERKEJGSHLXLRO-WMZOPIPTSA-N 1 0 364.829 2.865 20 5 FFBDRO C[C@@H]1C[C@H](NC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C[N@@H+]1C1CC1 ZINC000756952437 736376093 /nfs/dbraw/zinc/37/60/93/736376093.db2.gz SUAXAALEMUZGQS-PWSUYJOCSA-N 1 0 352.822 2.673 20 5 FFBDRO COc1cc(Cn2cc(C[N@H+](C)C(C)(C)C)nn2)c([N+](=O)[O-])cc1F ZINC000905807712 736401266 /nfs/dbraw/zinc/40/12/66/736401266.db2.gz MWEDXCSPXSMZCN-UHFFFAOYSA-N 1 0 351.382 2.613 20 5 FFBDRO Cc1c(CO)cc([N+](=O)[O-])c(N[C@@H](C)C(C)(C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000759237251 736556359 /nfs/dbraw/zinc/55/63/59/736556359.db2.gz QVNWSCKMPGGTTQ-NSHDSACASA-N 1 0 354.407 2.692 20 5 FFBDRO C[NH+]1CCC(CNC(=S)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC1 ZINC000760500699 736645371 /nfs/dbraw/zinc/64/53/71/736645371.db2.gz UXDPUPPLCZFOPA-UHFFFAOYSA-N 1 0 362.499 2.776 20 5 FFBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC000908191297 736738170 /nfs/dbraw/zinc/73/81/70/736738170.db2.gz SQIDFPBWQSCMTM-ZWNOBZJWSA-N 1 0 352.822 2.529 20 5 FFBDRO C[N@@H+]1CCCC[C@@H]1CCOC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000762968597 736888648 /nfs/dbraw/zinc/88/86/48/736888648.db2.gz OWWKDALYIVNLOP-LLVKDONJSA-N 1 0 350.400 2.631 20 5 FFBDRO O=C(NCc1cc([N+](=O)[O-])c(F)cc1F)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000911476065 737203225 /nfs/dbraw/zinc/20/32/25/737203225.db2.gz MDVDEHIPTMNRDZ-OAHLLOKOSA-N 1 0 353.369 2.896 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CCC([NH+]3CCC3)CC2)cc1SC ZINC000912879757 737352778 /nfs/dbraw/zinc/35/27/78/737352778.db2.gz LDLCIMSYKRTQAC-UHFFFAOYSA-N 1 0 365.455 2.636 20 5 FFBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912907504 737356422 /nfs/dbraw/zinc/35/64/22/737356422.db2.gz NLJMSGYBJMJOAR-NSHDSACASA-N 1 0 368.231 2.586 20 5 FFBDRO C[NH+]1C[C@@]2(C)CN(C(=O)c3cc(Cl)c(F)c([N+](=O)[O-])c3)C[C@]2(C)C1 ZINC000913269357 737389903 /nfs/dbraw/zinc/38/99/03/737389903.db2.gz BUBNRQXFHBDLSS-HOTGVXAUSA-N 1 0 355.797 2.801 20 5 FFBDRO Cc1cc(S(=O)(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)cc([N+](=O)[O-])c1F ZINC000771756096 737752423 /nfs/dbraw/zinc/75/24/23/737752423.db2.gz AVLXRJWPRCEYRQ-STQMWFEESA-N 1 0 373.450 2.584 20 5 FFBDRO O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000774242632 737972900 /nfs/dbraw/zinc/97/29/00/737972900.db2.gz ARJYPPMFHOPJDZ-ZDUSSCGKSA-N 1 0 367.833 2.575 20 5 FFBDRO CC[N@H+](C)C[C@H]1CCN(Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 ZINC000774635465 738007756 /nfs/dbraw/zinc/00/77/56/738007756.db2.gz ITSXENFWCFKNBY-GFCCVEGCSA-N 1 0 351.838 2.829 20 5 FFBDRO CN(CCCC[NH+]1CCCCC1)C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000922324057 738122090 /nfs/dbraw/zinc/12/20/90/738122090.db2.gz JWRCMWBHUDTLSU-UHFFFAOYSA-N 1 0 352.410 2.654 20 5 FFBDRO C[C@H](NC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000922643843 738178571 /nfs/dbraw/zinc/17/85/71/738178571.db2.gz BVYCFPQPSSROPY-VBNZEHGJSA-N 1 0 364.471 2.535 20 5 FFBDRO C[C@H](CNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C[NH+]1CCCCC1 ZINC000778247105 738366527 /nfs/dbraw/zinc/36/65/27/738366527.db2.gz OKZRJVDCXPTTLS-CYBMUJFWSA-N 1 0 355.385 2.925 20 5 FFBDRO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])NC1CC[NH+](C2CC2)CC1 ZINC000929618766 739004585 /nfs/dbraw/zinc/00/45/85/739004585.db2.gz INZJNLFFWWSOET-UHFFFAOYSA-N 1 0 351.834 2.924 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CCC(C[NH+](C)C)CC1 ZINC000790267933 739431210 /nfs/dbraw/zinc/43/12/10/739431210.db2.gz ULMAVKFLUQDATP-UHFFFAOYSA-N 1 0 355.822 2.813 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000790272486 739431631 /nfs/dbraw/zinc/43/16/31/739431631.db2.gz PYUVORXITZBQQA-LBPRGKRZSA-N 1 0 367.833 2.957 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CCC[C@H]([NH+](C)C)CC1 ZINC000790279177 739432537 /nfs/dbraw/zinc/43/25/37/739432537.db2.gz ROVYHWINERXNEI-NSHDSACASA-N 1 0 355.822 2.955 20 5 FFBDRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000790543035 739467796 /nfs/dbraw/zinc/46/77/96/739467796.db2.gz OMBZVEKWQTXFBA-LLVKDONJSA-N 1 0 357.813 2.920 20 5 FFBDRO CC1CC[NH+](CCNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000790541357 739467914 /nfs/dbraw/zinc/46/79/14/739467914.db2.gz HLSRUKXLPNMIFL-UHFFFAOYSA-N 1 0 357.813 2.778 20 5 FFBDRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC000935775861 740009173 /nfs/dbraw/zinc/00/91/73/740009173.db2.gz NQFFTMUAPWOXQA-SECBINFHSA-N 1 0 358.801 2.526 20 5 FFBDRO COC(=O)C1CC[NH+](CCCNc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000804353510 740863389 /nfs/dbraw/zinc/86/33/89/740863389.db2.gz ZTFJVFMEEXAYPR-UHFFFAOYSA-N 1 0 355.822 2.935 20 5 FFBDRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3cc(Cl)ccc3[N+](=O)[O-])[C@H]2C1 ZINC000808782694 741260473 /nfs/dbraw/zinc/26/04/73/741260473.db2.gz BGERXVXBOSZWJU-VBNZEHGJSA-N 1 0 351.834 2.985 20 5 FFBDRO C[N@H+](Cc1ccc(Cl)c(F)c1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985432339 741395383 /nfs/dbraw/zinc/39/53/83/741395383.db2.gz ZSOQXOOZNVFVIR-CZUORRHYSA-N 1 0 369.824 2.567 20 5 FFBDRO COCCCN(C(=S)Nc1ccc([N+](=O)[O-])cc1)C1CC[NH+](C)CC1 ZINC000811716656 741552052 /nfs/dbraw/zinc/55/20/52/741552052.db2.gz XYOJSWASLWHVRC-UHFFFAOYSA-N 1 0 366.487 2.724 20 5 FFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([NH2+]Cc2cc3ccccc3s2)CC1 ZINC000996429608 741991371 /nfs/dbraw/zinc/99/13/71/741991371.db2.gz QFQQLLIDCAPKRR-HZPDHXFCSA-N 1 0 359.451 2.647 20 5 FFBDRO Cc1nc2c(s1)[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])CCC2 ZINC000819216675 742355592 /nfs/dbraw/zinc/35/55/92/742355592.db2.gz KNLOEIOPBFFSIW-CHWSQXEVSA-N 1 0 363.439 2.767 20 5 FFBDRO Cc1nc2c(s1)[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)CCC2 ZINC000819216115 742355730 /nfs/dbraw/zinc/35/57/30/742355730.db2.gz CTLSAGXDTLPKAP-UKRRQHHQSA-N 1 0 363.439 2.767 20 5 FFBDRO C[N@@H+]1CC[C@@H](CC(=O)N[C@@H](c2cccc([N+](=O)[O-])c2F)C(F)(F)F)C1 ZINC000823593503 742942312 /nfs/dbraw/zinc/94/23/12/742942312.db2.gz AJJUJGDKKLMHSZ-XPTSAGLGSA-N 1 0 363.311 2.795 20 5 FFBDRO C[C@@H](CNC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N)[NH+]1CCCCC1 ZINC000825581028 743296980 /nfs/dbraw/zinc/29/69/80/743296980.db2.gz VIRBBXAFBOIHBB-JTQLQIEISA-N 1 0 355.826 2.826 20 5 FFBDRO CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)C[C@@H]1[NH+](C)C ZINC000827425996 743573830 /nfs/dbraw/zinc/57/38/30/743573830.db2.gz NYDFWCMZEISIDA-UONOGXRCSA-N 1 0 357.863 2.674 20 5 FFBDRO CCC1([NH+](C)C)CCN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000828111266 745030025 /nfs/dbraw/zinc/03/00/25/745030025.db2.gz JBZQLHWPVJMVFW-UHFFFAOYSA-N 1 0 351.422 2.999 20 5 FFBDRO CO[C@@H]1C[C@@H]([NH2+][C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1(C)C ZINC000831334456 745516556 /nfs/dbraw/zinc/51/65/56/745516556.db2.gz WHVFPDBVGDNLEX-OWYVNGRQSA-N 1 0 355.822 2.978 20 5 FFBDRO O=C(CC[N@@H+]1CCC[C@]2(CCOC2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000832347684 745681481 /nfs/dbraw/zinc/68/14/81/745681481.db2.gz AHMXFYZKECPNCY-KRWDZBQOSA-N 1 0 351.378 2.565 20 5 FFBDRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000841099335 747269020 /nfs/dbraw/zinc/26/90/20/747269020.db2.gz IFYNBNKSDRSIGC-IAGOWNOFSA-N 1 0 353.850 2.967 20 5 FFBDRO O=C(NCCC[NH2+]C1CC1)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841162284 747285095 /nfs/dbraw/zinc/28/50/95/747285095.db2.gz SEOPIALBBHNEEG-UHFFFAOYSA-N 1 0 357.208 2.621 20 5 FFBDRO C[C@H]([NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H]1c1cccs1 ZINC000841756771 747451137 /nfs/dbraw/zinc/45/11/37/747451137.db2.gz AJYXBATUCQWEAL-IOHZKQFHSA-N 1 0 362.451 2.832 20 5 FFBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000841859073 747478013 /nfs/dbraw/zinc/47/80/13/747478013.db2.gz XNQWPORPPQAGPZ-CHWSQXEVSA-N 1 0 366.849 2.779 20 5 FFBDRO O=[N+]([O-])c1cc(CN2CCC[C@@]3(CC[NH2+]C3)C2)ccc1Br ZINC000842475036 747612356 /nfs/dbraw/zinc/61/23/56/747612356.db2.gz IBYSSRPKMOLYAU-HNNXBMFYSA-N 1 0 354.248 2.933 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@H](O)c2c(F)cccc2Cl)c1 ZINC000843084476 747765552 /nfs/dbraw/zinc/76/55/52/747765552.db2.gz BBTQEGOGPWBQBS-HUUCEWRRSA-N 1 0 354.765 2.744 20 5 FFBDRO Cc1cc([C@H]([NH3+])CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc(Cl)n1 ZINC000843371923 747819361 /nfs/dbraw/zinc/81/93/61/747819361.db2.gz FFSKPGSUSQZGSD-CQSZACIVSA-N 1 0 360.801 2.931 20 5 FFBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000843379704 747821502 /nfs/dbraw/zinc/82/15/02/747821502.db2.gz JMBGHEDNVZFAAF-YVEFUNNKSA-N 1 0 366.849 2.651 20 5 FFBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000843452693 747838684 /nfs/dbraw/zinc/83/86/84/747838684.db2.gz WMIPTRIKUBBDMJ-OAHLLOKOSA-N 1 0 369.824 2.920 20 5 FFBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000843480930 747843053 /nfs/dbraw/zinc/84/30/53/747843053.db2.gz ZCYRNPMKWWRZNY-UJVNDKKSSA-N 1 0 374.210 2.613 20 5 FFBDRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])c(Cl)c3)C2)C1 ZINC000846686369 748524114 /nfs/dbraw/zinc/52/41/14/748524114.db2.gz GOTQIGHEUCYPIY-ZENOOKHLSA-N 1 0 367.833 2.607 20 5 FFBDRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)c3cc([N+](=O)[O-])ccc3Cl)C2)C1 ZINC000846717437 748529256 /nfs/dbraw/zinc/52/92/56/748529256.db2.gz FQJDKHNNUJVNDR-OZVIIMIRSA-N 1 0 367.833 2.607 20 5 FFBDRO Cc1c([C@H](C)[NH2+]CCS(=O)(=O)CC(F)(F)F)cccc1[N+](=O)[O-] ZINC000850518791 749380234 /nfs/dbraw/zinc/38/02/34/749380234.db2.gz IFAWMZXMXBOSOH-JTQLQIEISA-N 1 0 354.350 2.531 20 5 FFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]C[C@]23OCCC[C@H]2C3(F)F)n1 ZINC000850532643 749382917 /nfs/dbraw/zinc/38/29/17/749382917.db2.gz MXFJQAFVRZBYGY-COMQUAJESA-N 1 0 356.373 2.679 20 5 FFBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000852807243 749958902 /nfs/dbraw/zinc/95/89/02/749958902.db2.gz QOGPHVZFYMUWPS-ZDUSSCGKSA-N 1 0 365.739 2.749 20 5 FFBDRO C[NH+](C)CCC[C@H]1CN(c2ccc([N+](=O)[O-])cc2Br)CCO1 ZINC000853991031 750220452 /nfs/dbraw/zinc/22/04/52/750220452.db2.gz ZUDJSHRELDXJMD-ZDUSSCGKSA-N 1 0 372.263 2.904 20 5 FFBDRO COc1ccc(C[N@@H+]2C[C@H]3C[C@@]3(O)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000895651272 970809551 /nfs/dbraw/zinc/80/95/51/970809551.db2.gz ZDAVVLHWVOXKBE-OXQOHEQNSA-N 1 0 370.405 2.749 20 5 FFBDRO O=C1CN([C@@H]2CC[N@@H+](Cc3ccccc3[N+](=O)[O-])C2)c2ccccc2N1 ZINC000759910042 971948206 /nfs/dbraw/zinc/94/82/06/971948206.db2.gz LILCASXRRCPVRS-OAHLLOKOSA-N 1 0 352.394 2.628 20 5 FFBDRO CC[NH+](CC)CCN(CCOC)C(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC001125971110 972284071 /nfs/dbraw/zinc/28/40/71/972284071.db2.gz SXZSHQCGJNRWJH-UHFFFAOYSA-N 1 0 351.447 2.642 20 5 FFBDRO C[C@H]1C[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)C[N@@H+]1Cc1ccccc1 ZINC000134883597 960091963 /nfs/dbraw/zinc/09/19/63/960091963.db2.gz LOJGNWBUKQNTKH-YJBOKZPZSA-N 1 0 353.422 2.917 20 5 FFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000134886727 960092808 /nfs/dbraw/zinc/09/28/08/960092808.db2.gz ZJZYVWCVHAPDSK-CJNGLKHVSA-N 1 0 354.410 2.691 20 5 FFBDRO O=[N+]([O-])c1cnc(N2Cc3ccccc3C3(CC[NH2+]CC3)C2)c([N+](=O)[O-])c1 ZINC001167160439 960336095 /nfs/dbraw/zinc/33/60/95/960336095.db2.gz OQCBDANHRILSTG-UHFFFAOYSA-N 1 0 369.381 2.539 20 5 FFBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)C1 ZINC001137058892 1013211767 /nfs/dbraw/zinc/21/17/67/1013211767.db2.gz ZEUNELHCEMEVHL-RKDXNWHRSA-N 1 0 358.801 2.572 20 5 FFBDRO Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)c3cc([N+](=O)[O-])cc(C)n3)C2)cc1 ZINC001174844345 1013323357 /nfs/dbraw/zinc/32/33/57/1013323357.db2.gz WOHCIMYDSNRFRL-INIZCTEOSA-N 1 0 354.410 2.611 20 5 FFBDRO CCOC(=O)c1c[nH]nc1[C@H]1CCN(Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001174975002 1013344731 /nfs/dbraw/zinc/34/47/31/1013344731.db2.gz IWNMSTUQBZPAKH-LBPRGKRZSA-N 1 0 362.361 2.623 20 5 FFBDRO COc1c(O)ccc(C[N@@H+]2CCC[C@@](CO)(c3ccccc3)C2)c1[N+](=O)[O-] ZINC000894268813 964052658 /nfs/dbraw/zinc/05/26/58/964052658.db2.gz NISHSWFCPNLKAS-HXUWFJFHSA-N 1 0 372.421 2.835 20 5 FFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)C[C@@H](O)CN(C)C(=O)OC(C)(C)C ZINC001175390983 1013468433 /nfs/dbraw/zinc/46/84/33/1013468433.db2.gz UPWAULQUHBCLGL-UONOGXRCSA-N 1 0 367.446 2.815 20 5 FFBDRO C[C@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1cc2cnccc2o1 ZINC001175639105 1013519028 /nfs/dbraw/zinc/51/90/28/1013519028.db2.gz VTUHJYAQZKTMDH-LBPRGKRZSA-N 1 0 366.377 2.976 20 5 FFBDRO Cc1c(CNC(=O)NCc2cccc3c2CC[NH2+]C3)cccc1[N+](=O)[O-] ZINC000891850038 965219090 /nfs/dbraw/zinc/21/90/90/965219090.db2.gz XHCIQKWYAULTMI-UHFFFAOYSA-N 1 0 354.410 2.548 20 5 FFBDRO C[C@@H]1CC[C@H](C)N1C(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000934044014 965541326 /nfs/dbraw/zinc/54/13/26/965541326.db2.gz RGRGZUORGWTASI-OKILXGFUSA-N 1 0 361.446 2.751 20 5 FFBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CC([NH+](C)C)C2)cc1 ZINC000134912961 965973181 /nfs/dbraw/zinc/97/31/81/965973181.db2.gz LXTUUMCKTHOKNH-UHFFFAOYSA-N 1 0 371.393 2.782 20 5 FFBDRO O=C(NC1CC1)[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000135163870 966736055 /nfs/dbraw/zinc/73/60/55/966736055.db2.gz JGVGMXJOECRVDM-SFHVURJKSA-N 1 0 357.385 2.886 20 5 FFBDRO CN1Cc2cc(-n3cc(CC[NH3+])c4cc(O)ccc43)cc([N+](=O)[O-])c2N1 ZINC001167990052 967094158 /nfs/dbraw/zinc/09/41/58/967094158.db2.gz LMWTWTZLKRFYAY-UHFFFAOYSA-N 1 0 353.382 2.518 20 5 FFBDRO C[C@@H](C[N+](C)(C)C)Oc1ncc(Cl)cc1I ZINC001226427949 967254270 /nfs/dbraw/zinc/25/42/70/967254270.db2.gz VTNKXWPPKJHGRD-QMMMGPOBSA-N 1 0 355.627 2.813 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cn1 ZINC000874068937 1013751105 /nfs/dbraw/zinc/75/11/05/1013751105.db2.gz PTSQIKAREHJHAU-UHFFFAOYSA-N 1 0 369.425 2.611 20 5 FFBDRO C[C@@H](Nc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1)[C@H]1C[N@H+](C)CCN1C ZINC000895246128 968758305 /nfs/dbraw/zinc/75/83/05/968758305.db2.gz LRGZWYRJFHRBQU-CXAGYDPISA-N 1 0 373.432 2.842 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(Br)c(O[C@@H]2CCC[NH2+]C[C@H]2F)c1 ZINC001217951729 969204466 /nfs/dbraw/zinc/20/44/66/969204466.db2.gz QNFMREXIXNEGCR-NXEZZACHSA-N 1 0 351.147 2.965 20 5 FFBDRO Cc1ccc(CNC(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000892537012 969402899 /nfs/dbraw/zinc/40/28/99/969402899.db2.gz NHSWYSGHJZWSCO-QGZVFWFLSA-N 1 0 360.458 2.824 20 5 FFBDRO Cc1ccc(CNC(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000892537117 969404082 /nfs/dbraw/zinc/40/40/82/969404082.db2.gz OJBIZNGHRZNZDK-IAGOWNOFSA-N 1 0 360.458 2.967 20 5 FFBDRO C[C@]1(NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])C[NH+]2CCC1CC2 ZINC000892769084 970279986 /nfs/dbraw/zinc/27/99/86/970279986.db2.gz NYPJHOLEMQFLSX-FQEVSTJZSA-N 1 0 366.421 2.871 20 5 FFBDRO C[C@H](CNC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21)c1ccccc1[N+](=O)[O-] ZINC000897062349 973213082 /nfs/dbraw/zinc/21/30/82/973213082.db2.gz SVASZGLMLKLIBZ-HLLBOEOZSA-N 1 0 360.458 2.824 20 5 FFBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000125624382 975088904 /nfs/dbraw/zinc/08/89/04/975088904.db2.gz XITYWDKTYAKGAL-HNNXBMFYSA-N 1 0 360.458 2.640 20 5 FFBDRO CN(C)C(=O)OC[C@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000796547707 1014244713 /nfs/dbraw/zinc/24/47/13/1014244713.db2.gz LOTAOXFDWZESFC-CQSZACIVSA-N 1 0 366.374 2.556 20 5 FFBDRO COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000898482454 976490689 /nfs/dbraw/zinc/49/06/89/976490689.db2.gz XCRUGUGQHNMKIE-CJNGLKHVSA-N 1 0 372.425 2.817 20 5 FFBDRO COC[C@@H](C)Oc1ccc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)cc1 ZINC000825903248 1014399759 /nfs/dbraw/zinc/39/97/59/1014399759.db2.gz ARCGCFNRNHDRAA-OAHLLOKOSA-N 1 0 359.426 2.974 20 5 FFBDRO Cc1cccc([C@@H](O)C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1 ZINC000877092106 1014473883 /nfs/dbraw/zinc/47/38/83/1014473883.db2.gz UOZORFLCKOUENQ-SFHVURJKSA-N 1 0 356.426 2.590 20 5 FFBDRO Cc1ccc(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)c(N2CCCC2)n1 ZINC000877188700 1014504153 /nfs/dbraw/zinc/50/41/53/1014504153.db2.gz GYSHIMGLVMCWCR-UHFFFAOYSA-N 1 0 356.430 2.588 20 5 FFBDRO [NH3+]C[C@@H]1CN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C[C@@H]1C(F)(F)F ZINC000877354336 1014559752 /nfs/dbraw/zinc/55/97/52/1014559752.db2.gz FJCHGMLMVYVFFY-RISCZKNCSA-N 1 0 371.359 2.612 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CCc4ccccc4OC3)CC2)cn1 ZINC000877502260 1014601581 /nfs/dbraw/zinc/60/15/81/1014601581.db2.gz DDXPXIKEFOVXDF-QGZVFWFLSA-N 1 0 368.437 2.942 20 5 FFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]Cc3ccncc3OCC(F)(F)F)C2)c1 ZINC000877500753 1014601612 /nfs/dbraw/zinc/60/16/12/1014601612.db2.gz IRQANCGFCSWATL-UHFFFAOYSA-N 1 0 371.319 2.621 20 5 FFBDRO O=C1OCCN1C[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000877555230 1014625933 /nfs/dbraw/zinc/62/59/33/1014625933.db2.gz UZRKINZZMUEVFB-NSHDSACASA-N 1 0 373.331 2.888 20 5 FFBDRO COc1cc(Cc2noc(C34CCC[NH+](CCC3)C4)n2)ccc1[N+](=O)[O-] ZINC000904023783 980162911 /nfs/dbraw/zinc/16/29/11/980162911.db2.gz UDMTYXBNDMYXHI-UHFFFAOYSA-N 1 0 358.398 2.705 20 5 FFBDRO O=C1NCCC12CC[NH+](Cc1ccc(-c3ccccc3[N+](=O)[O-])o1)CC2 ZINC000877783094 1014726692 /nfs/dbraw/zinc/72/66/92/1014726692.db2.gz CSKAKQFKSKQZLI-UHFFFAOYSA-N 1 0 355.394 2.957 20 5 FFBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC000908259370 981401557 /nfs/dbraw/zinc/40/15/57/981401557.db2.gz UALMZBBQAJDFGQ-CYBMUJFWSA-N 1 0 365.430 2.606 20 5 FFBDRO CCCC[N@H+](C)C[C@@H](C)NS(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC001212035579 981464208 /nfs/dbraw/zinc/46/42/08/981464208.db2.gz OUXXNONYDWJBML-CQSZACIVSA-N 1 0 357.476 2.610 20 5 FFBDRO Cc1c(NC(=O)N2CCC([NH2+]C3CCOCC3)CC2)cccc1[N+](=O)[O-] ZINC000877952435 1014783117 /nfs/dbraw/zinc/78/31/17/1014783117.db2.gz MVQOUTKIPXTMJC-UHFFFAOYSA-N 1 0 362.430 2.668 20 5 FFBDRO O=[N+]([O-])c1ccccc1-c1nnc(CN2CC[NH+](C3CCCC3)CC2)o1 ZINC000877954428 1014783196 /nfs/dbraw/zinc/78/31/96/1014783196.db2.gz XXXVWQUDDGWABQ-UHFFFAOYSA-N 1 0 357.414 2.705 20 5 FFBDRO COCCO[C@]12CCC[C@@]1([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])CCO2 ZINC000898001349 982574941 /nfs/dbraw/zinc/57/49/41/982574941.db2.gz LLMXKTNKFRIWSZ-LVLPYEQSSA-N 1 0 362.426 2.900 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000878286178 1014966050 /nfs/dbraw/zinc/96/60/50/1014966050.db2.gz KIVJQCXFWCXKHH-IRXDYDNUSA-N 1 0 362.405 2.827 20 5 FFBDRO O=C([C@@H]1CC[C@@H]2CCCC[C@H]2[NH2+]1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000912000195 983937063 /nfs/dbraw/zinc/93/70/63/983937063.db2.gz CSQLRRVQGVNGRN-BBWFWOEESA-N 1 0 372.469 2.554 20 5 FFBDRO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000058276984 984571710 /nfs/dbraw/zinc/57/17/10/984571710.db2.gz YRCXORSBJYTFAU-HNNXBMFYSA-N 1 0 360.458 2.799 20 5 FFBDRO Cc1nn(C[N@H+]2CCC[C@H](CNC(=O)C(C)C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000764964112 984893071 /nfs/dbraw/zinc/89/30/71/984893071.db2.gz FHNFBWOENZMUQQ-OAHLLOKOSA-N 1 0 373.457 2.695 20 5 FFBDRO Cc1c(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000063756322 986030497 /nfs/dbraw/zinc/03/04/97/986030497.db2.gz ZUIGOERPKCBCHM-NWDGAFQWSA-N 1 0 364.402 2.662 20 5 FFBDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000063758560 986031798 /nfs/dbraw/zinc/03/17/98/986031798.db2.gz JCRPMRWZUWLHJK-CYBMUJFWSA-N 1 0 364.402 2.745 20 5 FFBDRO C[N@@H+](Cc1ccccc1)C[C@H](O)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000152219032 987087283 /nfs/dbraw/zinc/08/72/83/987087283.db2.gz LJENJKSGYCDLLE-FQEVSTJZSA-N 1 0 366.421 2.951 20 5 FFBDRO Cc1nccn1-c1ccc(-c2noc(-c3cc([N+](=O)[O-])cnc3C)n2)cn1 ZINC000761917652 987978592 /nfs/dbraw/zinc/97/85/92/987978592.db2.gz BKNLJPAVKLCSLO-UHFFFAOYSA-N 1 0 363.337 2.904 20 5 FFBDRO Cc1cc(NC(=O)N2CCC[C@@H]([NH2+]C3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000879123607 1015374811 /nfs/dbraw/zinc/37/48/11/1015374811.db2.gz MUQCBESVFLZSPR-MRXNPFEDSA-N 1 0 362.430 2.668 20 5 FFBDRO Cc1ccc(C)c(C[N@H+]2C[C@@H]3CCN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])CC[C@@H]3C2)c1 ZINC000946589160 988764283 /nfs/dbraw/zinc/76/42/83/988764283.db2.gz JLZQMJBUKFBJDN-PIKOESSRSA-N 1 0 371.481 2.639 20 5 FFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[C@H]2C[N@@H+](CCC3=CCCCC3)C[C@H]2CC1 ZINC000946589385 988765314 /nfs/dbraw/zinc/76/53/14/988765314.db2.gz WPFWSWBILYZPQJ-FCGDIQPGSA-N 1 0 361.486 2.713 20 5 FFBDRO Cc1cc(C)cc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])CC[C@@H]3C2)c1 ZINC000946589448 988766081 /nfs/dbraw/zinc/76/60/81/988766081.db2.gz ZNMXLHLOOXWSAE-IYWMVGAKSA-N 1 0 371.481 2.639 20 5 FFBDRO Cc1cccc(C)c1C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC[C@@H]2C1 ZINC000946589384 988766143 /nfs/dbraw/zinc/76/61/43/988766143.db2.gz WOGGVCZOXWZLIS-AJYBTWMASA-N 1 0 371.481 2.639 20 5 FFBDRO Cc1c(C[NH2+][C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)cccc1[N+](=O)[O-] ZINC000763098057 989035383 /nfs/dbraw/zinc/03/53/83/989035383.db2.gz MFVQLDQTSRTEDE-UXHICEINSA-N 1 0 369.465 2.876 20 5 FFBDRO CCOc1ccc(C(=O)N2CC[C@H](C)[C@@H](n3ccnc3)C2)cc1[N+](=O)[O-] ZINC000126338362 989092376 /nfs/dbraw/zinc/09/23/76/989092376.db2.gz VAPFHNWTRRKOAS-BBRMVZONSA-N 1 0 358.398 2.913 20 5 FFBDRO CC(C)[C@@H](C)NC(=O)C1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000153833456 989735390 /nfs/dbraw/zinc/73/53/90/989735390.db2.gz YZRXDZBDYNQQOR-KDOFPFPSSA-N 1 0 363.458 2.501 20 5 FFBDRO CCOC(=O)Cc1ccc(N2CC[C@@]3(C2)CCC[N@H+](C)C3)c([N+](=O)[O-])c1 ZINC000826109209 1015548636 /nfs/dbraw/zinc/54/86/36/1015548636.db2.gz UXAHECDOXRPZNB-IBGZPJMESA-N 1 0 361.442 2.623 20 5 FFBDRO Cc1ccc(NCCCNC(=O)C[C@@H](C)[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000237623289 991290443 /nfs/dbraw/zinc/29/04/43/991290443.db2.gz GRSSTWFPZXIBJV-HZPDHXFCSA-N 1 0 362.474 2.847 20 5 FFBDRO CCCC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)CC1 ZINC000068443346 991432285 /nfs/dbraw/zinc/43/22/85/991432285.db2.gz KGNPWHLFYRBADF-UHFFFAOYSA-N 1 0 364.402 2.806 20 5 FFBDRO COCC[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1CCOCC1 ZINC000879709414 1015647929 /nfs/dbraw/zinc/64/79/29/1015647929.db2.gz IGQPAYIIECYTDW-UHFFFAOYSA-N 1 0 361.398 2.877 20 5 FFBDRO O=[N+]([O-])c1ccc(OCCCN2CCC[C@@H]([NH2+]C3CCOCC3)C2)cc1 ZINC000880201016 1015779733 /nfs/dbraw/zinc/77/97/33/1015779733.db2.gz FVYURIWWMHEIMY-QGZVFWFLSA-N 1 0 363.458 2.597 20 5 FFBDRO CCCN(CC[NH+]1CCCC1)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC000808918367 994332790 /nfs/dbraw/zinc/33/27/90/994332790.db2.gz GHUNUEPNELLJCD-UHFFFAOYSA-N 1 0 364.402 2.759 20 5 FFBDRO COc1cc2c(c(CN(CC[NH3+])c3ccc([N+](=O)[O-])cc3)c1)O[C@H](C)C2 ZINC000809736340 994594325 /nfs/dbraw/zinc/59/43/25/994594325.db2.gz PRCSPEYRHQPGBJ-CYBMUJFWSA-N 1 0 357.410 2.892 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCCN3c4ccccc4C[C@@H]3C2)cc1 ZINC000810052464 994679016 /nfs/dbraw/zinc/67/90/16/994679016.db2.gz ZJHXJMPPGANHTI-QUCCMNQESA-N 1 0 353.422 2.765 20 5 FFBDRO COc1ccc(C[NH2+][C@@H]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)cc1[N+](=O)[O-] ZINC000824489409 996959764 /nfs/dbraw/zinc/95/97/64/996959764.db2.gz JCMMYOLQWGNITL-VIKVFOODSA-N 1 0 363.414 2.558 20 5 FFBDRO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](c1ccccc1)N1CC[NH2+]CC1 ZINC000844217569 997707504 /nfs/dbraw/zinc/70/75/04/997707504.db2.gz GPEAYUPLPAGJAU-KRWDZBQOSA-N 1 0 374.828 2.833 20 5 FFBDRO CN1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])[C@@H](Cc2ccccc2)C1 ZINC000844925467 998232920 /nfs/dbraw/zinc/23/29/20/998232920.db2.gz QDGFJDYQEFRXIX-INIZCTEOSA-N 1 0 357.385 2.733 20 5 FFBDRO O=C1CCCCN1[C@@H]1CCC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000732807506 998780924 /nfs/dbraw/zinc/78/09/24/998780924.db2.gz PQCZVEVRTMTCDD-QGZVFWFLSA-N 1 0 361.442 2.841 20 5 FFBDRO C[NH+](C)C1(CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)Cc2ccccc2C1 ZINC000741602653 999733807 /nfs/dbraw/zinc/73/38/07/999733807.db2.gz HNFUQKVLXGJQRL-FMIVXFBMSA-N 1 0 365.433 2.823 20 5 FFBDRO Cc1ncn(-c2ncc(F)c3cc([N+](=O)[O-])ccc32)c1CSCC[NH3+] ZINC001168786296 999993410 /nfs/dbraw/zinc/99/34/10/999993410.db2.gz MGVDHQYUBFRMNW-UHFFFAOYSA-N 1 0 361.402 2.968 20 5 FFBDRO CC(C)(C)OC(=O)N1CCC(C(=[NH2+])N[C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168978069 1000012159 /nfs/dbraw/zinc/01/21/59/1000012159.db2.gz ODFMWJMZCVJSJN-GXTWGEPZSA-N 1 0 354.451 2.646 20 5 FFBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]C2CCN(Cc3cccc(F)c3F)CC2)C1 ZINC001168997340 1000014268 /nfs/dbraw/zinc/01/42/68/1000014268.db2.gz YVFZMTGYJBFOIC-BBRMVZONSA-N 1 0 353.413 2.964 20 5 FFBDRO COc1ccc(F)c(CN2CCC([NH2+][C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)c1 ZINC001168997097 1000014278 /nfs/dbraw/zinc/01/42/78/1000014278.db2.gz XPHZHFMZGBTRSD-WMLDXEAASA-N 1 0 365.449 2.834 20 5 FFBDRO O=C([C@H](Cc1ccccc1)[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)N1CCCCC1 ZINC001169004311 1000014703 /nfs/dbraw/zinc/01/47/03/1000014703.db2.gz QLRZCSRRTGESKU-FHWLQOOXSA-N 1 0 359.470 2.645 20 5 FFBDRO CC(C)(C)OC(=O)N1CC2(C1)CC[NH+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169011047 1000015343 /nfs/dbraw/zinc/01/53/43/1000015343.db2.gz HTWVRPOVNAIIRC-CABCVRRESA-N 1 0 353.463 2.765 20 5 FFBDRO CC(C)(C)OC(=O)N1CC([C@@H]2CC[N@@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C2)C1 ZINC001169014445 1000015540 /nfs/dbraw/zinc/01/55/40/1000015540.db2.gz ZVDFNZMKEUNOPR-SQWLQELKSA-N 1 0 353.463 2.621 20 5 FFBDRO CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@@H+]2[C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169013965 1000015689 /nfs/dbraw/zinc/01/56/89/1000015689.db2.gz WYQQLNSUPPUZPK-VKJFTORMSA-N 1 0 353.463 2.907 20 5 FFBDRO CC(C)(C)OC(=O)N1CCC2(CC[N@@H+]2[C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169011907 1000015712 /nfs/dbraw/zinc/01/57/12/1000015712.db2.gz NHCSVVAZHMBHEO-GJZGRUSLSA-N 1 0 353.463 2.907 20 5 FFBDRO COc1ccc(N2C[C@]3(CC[N@@H+]([C@@H]4CC[C@H](C[N+](=O)[O-])C4)C3)CC2=O)cc1 ZINC001169019017 1000017407 /nfs/dbraw/zinc/01/74/07/1000017407.db2.gz GBCSMECDRHFJBD-XAUMDUMWSA-N 1 0 373.453 2.569 20 5 FFBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CC[C@H](OCC3CC3)[C@@H]2Cc2cccnc2)C1 ZINC001169019034 1000017612 /nfs/dbraw/zinc/01/76/12/1000017612.db2.gz GKQHJOXLLLWKBB-FYQPLNBISA-N 1 0 359.470 2.939 20 5 FFBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCC(c3nc(-c4cccnc4)no3)CC2)C1 ZINC001169023848 1000017945 /nfs/dbraw/zinc/01/79/45/1000017945.db2.gz FRAAJFCNEGLLRN-XJKSGUPXSA-N 1 0 357.414 2.756 20 5 FFBDRO CCN1CC[C@@]2(C[N@@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@@H]2c2ccccc2)C1=O ZINC001169026670 1000018153 /nfs/dbraw/zinc/01/81/53/1000018153.db2.gz YNGVVWVEGYYIJR-ROPHOZQPSA-N 1 0 371.481 2.770 20 5 FFBDRO CC(=O)N1CC[C@]2(c3ccccc3)CC[N@@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@@H]12 ZINC001169024888 1000018217 /nfs/dbraw/zinc/01/82/17/1000018217.db2.gz RZHPPLDTBKZRMH-WLRLJWMZSA-N 1 0 371.481 2.696 20 5 FFBDRO CC(=O)N1CC[C@]2(c3ccccc3)CC[N@@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@H]12 ZINC001169024886 1000018272 /nfs/dbraw/zinc/01/82/72/1000018272.db2.gz RZHPPLDTBKZRMH-NRDMVMEKSA-N 1 0 371.481 2.696 20 5 FFBDRO CC(C)(C)OC(=O)N[C@@H]1C[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CCC1(F)F ZINC001169046378 1000018537 /nfs/dbraw/zinc/01/85/37/1000018537.db2.gz LNWLJXXPSAKAPE-FRRDWIJNSA-N 1 0 363.405 2.666 20 5 FFBDRO CC(C)(C)OC(=O)N1CC[C@@H]([N@H+](C2CC2)[C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169048695 1000018654 /nfs/dbraw/zinc/01/86/54/1000018654.db2.gz APTKGIJMMDTWNL-VNQPRFMTSA-N 1 0 353.463 2.906 20 5 FFBDRO O=C1c2cccc(F)c2CN1[C@@H]1CCC[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169056295 1000019005 /nfs/dbraw/zinc/01/90/05/1000019005.db2.gz RGKAVOICKRGZRS-QLFBSQMISA-N 1 0 361.417 2.691 20 5 FFBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCC(Oc3ncnc4ccccc43)CC2)C1 ZINC001169057925 1000019190 /nfs/dbraw/zinc/01/91/90/1000019190.db2.gz ZBKLONGPGWLRAV-HUUCEWRRSA-N 1 0 356.426 2.918 20 5 FFBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCC(Oc3ncnc4ccccc43)CC2)C1 ZINC001169057926 1000019223 /nfs/dbraw/zinc/01/92/23/1000019223.db2.gz ZBKLONGPGWLRAV-LSDHHAIUSA-N 1 0 356.426 2.918 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])cc(N[C@@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)n1 ZINC001169143242 1000027174 /nfs/dbraw/zinc/02/71/74/1000027174.db2.gz PAXOPQZDFMPRJL-DIFFPNOSSA-N 1 0 350.419 2.732 20 5 FFBDRO O=[N+]([O-])c1cc(NCc2ncn3c2C[NH2+]CCC3)ccc1OC(F)(F)F ZINC001169242682 1000034107 /nfs/dbraw/zinc/03/41/07/1000034107.db2.gz TVFUBZTZZGJIBL-UHFFFAOYSA-N 1 0 371.319 2.795 20 5 FFBDRO CCOC(=O)C1(Nc2ccc3ncccc3c2[N+](=O)[O-])CC[NH+](C)CC1 ZINC001169496071 1000053633 /nfs/dbraw/zinc/05/36/33/1000053633.db2.gz RCHHGLWNGZMQNG-UHFFFAOYSA-N 1 0 358.398 2.582 20 5 FFBDRO O=[N+]([O-])c1cnc2cc(Br)ccc2c1NCC[C@H]1CCC[NH2+]1 ZINC001169564202 1000059094 /nfs/dbraw/zinc/05/90/94/1000059094.db2.gz KLOPLXHXLVQRLB-LLVKDONJSA-N 1 0 365.231 2.881 20 5 FFBDRO COC(=O)COc1ccc([C@H](C)[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000767876888 1000153870 /nfs/dbraw/zinc/15/38/70/1000153870.db2.gz RMWPHBPNIWMNBA-SCLBCKFNSA-N 1 0 374.393 2.531 20 5 FFBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2c(-c3ccccc3)nc3sccn32)c1 ZINC000768505491 1000270687 /nfs/dbraw/zinc/27/06/87/1000270687.db2.gz RLXZQDSKTJMQMG-UHFFFAOYSA-N 1 0 368.422 2.957 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)C[C@H]1C ZINC001147743443 1000969176 /nfs/dbraw/zinc/96/91/76/1000969176.db2.gz WHNFEBQMYNFJOJ-CHWSQXEVSA-N 1 0 366.437 2.745 20 5 FFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001148387429 1001130628 /nfs/dbraw/zinc/13/06/28/1001130628.db2.gz CRGSMKCQTNVKAB-KUHUBIRLSA-N 1 0 368.437 2.817 20 5 FFBDRO C[C@@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000774381438 1001883410 /nfs/dbraw/zinc/88/34/10/1001883410.db2.gz OBGCHCKTJPWMIA-MJBXVCDLSA-N 1 0 367.450 2.778 20 5 FFBDRO CCc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)[NH+](C)C)cc1 ZINC000791301916 1002639096 /nfs/dbraw/zinc/63/90/96/1002639096.db2.gz UHKHCAGJUQBYRR-SFHVURJKSA-N 1 0 374.416 2.911 20 5 FFBDRO COc1ccc(C[C@H](C)[NH2+][C@H]2CCN(C(=O)C3CCC3)C2)c([N+](=O)[O-])c1 ZINC001170317256 1003105785 /nfs/dbraw/zinc/10/57/85/1003105785.db2.gz DGZYCYYLEGCYGZ-BBRMVZONSA-N 1 0 361.442 2.525 20 5 FFBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2c(=O)[nH]c(C)cc2OC)c([N+](=O)[O-])c1 ZINC001170323402 1003111879 /nfs/dbraw/zinc/11/18/79/1003111879.db2.gz JMODNEQSVVZUBV-LLVKDONJSA-N 1 0 361.398 2.742 20 5 FFBDRO COc1ccc(C[C@H](C)[NH2+]Cc2ccc(-n3ccnn3)cc2)c([N+](=O)[O-])c1 ZINC001170326042 1003113215 /nfs/dbraw/zinc/11/32/15/1003113215.db2.gz COWXOSDBVXQLCG-AWEZNQCLSA-N 1 0 367.409 2.905 20 5 FFBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2ccc3nnc(C)n3c2)c([N+](=O)[O-])c1 ZINC001170326008 1003113826 /nfs/dbraw/zinc/11/38/26/1003113826.db2.gz CARRFMWQCCVGPD-GFCCVEGCSA-N 1 0 355.398 2.675 20 5 FFBDRO COc1ccc(C[C@@H](C)[N@@H+]2CC[C@H](Oc3ncncc3C)C2)c([N+](=O)[O-])c1 ZINC001170355006 1003122555 /nfs/dbraw/zinc/12/25/55/1003122555.db2.gz UIAJYXLOWWALAS-PBHICJAKSA-N 1 0 372.425 2.786 20 5 FFBDRO CCc1ncnc2c1CC[N@@H+]([C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])CC2 ZINC001170341527 1003130557 /nfs/dbraw/zinc/13/05/57/1003130557.db2.gz QYTYRBBJRAPBGA-CQSZACIVSA-N 1 0 370.453 2.988 20 5 FFBDRO C[N@@H+]1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@H]1Cc1ccccc1 ZINC000804719819 1003801343 /nfs/dbraw/zinc/80/13/43/1003801343.db2.gz IPVKHZFPRGZMRQ-INIZCTEOSA-N 1 0 356.382 2.866 20 5 FFBDRO CCN(C)C(=O)OC[C@@H]1CCCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000805763146 1004138907 /nfs/dbraw/zinc/13/89/07/1004138907.db2.gz PUFOHAUYELQHDV-IRXDYDNUSA-N 1 0 365.430 2.571 20 5 FFBDRO [NH3+]CCOCCOCCNc1nc2c(ccc3ccccc32)nc1Cl ZINC001170507231 1004308309 /nfs/dbraw/zinc/30/83/09/1004308309.db2.gz HNBUUKLCDYXXNF-UHFFFAOYSA-N 1 0 360.845 2.840 20 5 FFBDRO CCN(C(=O)OC(C)(C)C)C1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC001198891085 1004774689 /nfs/dbraw/zinc/77/46/89/1004774689.db2.gz MYMNXKNQFOUZND-UHFFFAOYSA-N 1 0 367.450 2.513 20 5 FFBDRO Cc1cc(C(=O)NC[C@H](C)[N@@H+]2CCc3ccccc3C2)c(N)c([N+](=O)[O-])c1 ZINC000104843141 1004833571 /nfs/dbraw/zinc/83/35/71/1004833571.db2.gz KDGWDFAHXRYCQF-AWEZNQCLSA-N 1 0 368.437 2.662 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+]C[C@@H](OC)c2ccccc2)cc1[N+](=O)[O-] ZINC001199657251 1004991117 /nfs/dbraw/zinc/99/11/17/1004991117.db2.gz HSCSYOKLNXQEPF-GOSISDBHSA-N 1 0 374.393 2.624 20 5 FFBDRO C[C@@H](C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)N1CCc2ccccc2C1 ZINC000776277387 1005337072 /nfs/dbraw/zinc/33/70/72/1005337072.db2.gz NXSLRHGXCQYBLB-MGPUTAFESA-N 1 0 355.438 2.665 20 5 FFBDRO CCCCN(C)C(=O)C1CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776579099 1005959897 /nfs/dbraw/zinc/95/98/97/1005959897.db2.gz JENUWULZLFIUQU-GOSISDBHSA-N 1 0 363.458 2.599 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000881478600 1006122840 /nfs/dbraw/zinc/12/28/40/1006122840.db2.gz STRFTXBYHDDPGU-MRXNPFEDSA-N 1 0 361.442 2.585 20 5 FFBDRO C[C@@H]1CN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CCN1c1cc[nH+]cc1 ZINC000881634349 1006165181 /nfs/dbraw/zinc/16/51/81/1006165181.db2.gz AJGFEEKFPAOIBY-CYBMUJFWSA-N 1 0 365.393 2.822 20 5 FFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H](c2ccncc2)C2(CO)CCC2)c1 ZINC000853134835 1006309696 /nfs/dbraw/zinc/30/96/96/1006309696.db2.gz YEINRCXDTBJRON-ROUUACIJSA-N 1 0 357.410 2.517 20 5 FFBDRO Cc1nc(NCCc2ccc(N3CC[NH+](C)CC3)cc2)ccc1[N+](=O)[O-] ZINC001187926208 1006323570 /nfs/dbraw/zinc/32/35/70/1006323570.db2.gz FELJMRGNFVEFCP-UHFFFAOYSA-N 1 0 355.442 2.705 20 5 FFBDRO O=[N+]([O-])c1cn(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)nc1-c1ccccn1 ZINC000853517491 1006423189 /nfs/dbraw/zinc/42/31/89/1006423189.db2.gz VEVMZJRHZJRNFH-LESCRADOSA-N 1 0 371.441 2.826 20 5 FFBDRO Cc1nn(C[NH+]2CCC([C@@H]3CCCCO3)CC2)c2ncc([N+](=O)[O-])cc12 ZINC000853572712 1006452583 /nfs/dbraw/zinc/45/25/83/1006452583.db2.gz UDWSTXZTKMQFQN-KRWDZBQOSA-N 1 0 359.430 2.887 20 5 FFBDRO O=[N+]([O-])c1ccc(NCC2CC[NH+](C3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000853755876 1006526555 /nfs/dbraw/zinc/52/65/55/1006526555.db2.gz CFRQBYHBUPPNRJ-UHFFFAOYSA-N 1 0 364.402 2.806 20 5 FFBDRO Cc1c(CO)cc([N+](=O)[O-])c(N[C@H](C)C[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000853866865 1006561627 /nfs/dbraw/zinc/56/16/27/1006561627.db2.gz BKAITXWKRHGPGA-GFCCVEGCSA-N 1 0 366.418 2.836 20 5 FFBDRO C[C@H]([NH2+]CC(=O)Nc1ccc(F)c(F)c1F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815553515 1006681182 /nfs/dbraw/zinc/68/11/82/1006681182.db2.gz BTZMDEACGSUGLV-QMMMGPOBSA-N 1 0 368.315 2.884 20 5 FFBDRO O=[N+]([O-])c1ccccc1NCCc1noc(-c2cccc3c2CC[NH2+]C3)n1 ZINC000854139697 1006702391 /nfs/dbraw/zinc/70/23/91/1006702391.db2.gz HVVVTGMFBVIGCS-UHFFFAOYSA-N 1 0 365.393 2.945 20 5 FFBDRO Cc1nc([N+](=O)[O-])c(-c2noc(-c3ccc4c(c3)[C@@H](C[NH3+])CCC4)n2)n1C ZINC000854152999 1006709625 /nfs/dbraw/zinc/70/96/25/1006709625.db2.gz BFIPIKVZWZVQOD-CYBMUJFWSA-N 1 0 368.397 2.732 20 5 FFBDRO COc1ccc([C@H](C[NH+](C)C)NC(=O)c2cc([N+](=O)[O-])ccc2F)cc1 ZINC000854398232 1006813679 /nfs/dbraw/zinc/81/36/79/1006813679.db2.gz VAIDUQGVJWPXLD-KRWDZBQOSA-N 1 0 361.373 2.775 20 5 FFBDRO COc1cccc([C@@H]2C[NH2+]CCN2C(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000883554843 1006862295 /nfs/dbraw/zinc/86/22/95/1006862295.db2.gz GVBZEDMPHIGWRC-KRWDZBQOSA-N 1 0 356.382 2.782 20 5 FFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1OC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000816452135 1007061917 /nfs/dbraw/zinc/06/19/17/1007061917.db2.gz WQYQFXVNXJIXTJ-QAPCUYQASA-N 1 0 372.425 2.635 20 5 FFBDRO NC(=O)C[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 ZINC000816652631 1007151656 /nfs/dbraw/zinc/15/16/56/1007151656.db2.gz OXKRDZCHSDUQHC-LJQANCHMSA-N 1 0 368.437 2.770 20 5 FFBDRO Nc1c(C(=O)NCCC[NH+]2CCCCC2)cc2ccccc2c1[N+](=O)[O-] ZINC001135668989 1007168910 /nfs/dbraw/zinc/16/89/10/1007168910.db2.gz VPGJDZKIUJHNME-UHFFFAOYSA-N 1 0 356.426 2.936 20 5 FFBDRO CCOC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000776822802 1007460111 /nfs/dbraw/zinc/46/01/11/1007460111.db2.gz KTZWYQNQLRAVIZ-HUUCEWRRSA-N 1 0 365.430 2.820 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000885880201 1007819497 /nfs/dbraw/zinc/81/94/97/1007819497.db2.gz ODIAPHIFMJJZJX-MRXNPFEDSA-N 1 0 361.442 2.503 20 5 FFBDRO O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CCC2(CC[NH2+]2)CC1 ZINC000818021722 1007843127 /nfs/dbraw/zinc/84/31/27/1007843127.db2.gz HFPAOGOIERZJHF-UHFFFAOYSA-N 1 0 358.442 2.553 20 5 FFBDRO Cc1nc2ccccc2n1CCC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000818958532 1007994724 /nfs/dbraw/zinc/99/47/24/1007994724.db2.gz PSARFMNLLJULKK-IBGZPJMESA-N 1 0 354.410 2.966 20 5 FFBDRO Cc1ccc(OC[C@H](C)[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000818982834 1007998826 /nfs/dbraw/zinc/99/88/26/1007998826.db2.gz SUORTACNMAWVJK-JKSUJKDBSA-N 1 0 360.410 2.700 20 5 FFBDRO Cc1ccc([C@@H](C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)N2CCCC2)o1 ZINC000818997294 1008004711 /nfs/dbraw/zinc/00/47/11/1008004711.db2.gz XGRNJHKESQFVRS-MSOLQXFVSA-N 1 0 359.426 2.956 20 5 FFBDRO COc1cccc(N2CCC[C@@H]([NH2+]C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000819082061 1008029769 /nfs/dbraw/zinc/02/97/69/1008029769.db2.gz PPDPKJBOQKXVLV-OXQOHEQNSA-N 1 0 371.437 2.895 20 5 FFBDRO O=C(Nc1ccccc1)N1CC[C@@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819294289 1008087284 /nfs/dbraw/zinc/08/72/84/1008087284.db2.gz KIBWAOZKWZBROO-AEFFLSMTSA-N 1 0 370.409 2.524 20 5 FFBDRO C[N@@H+]1CCCN(c2ccc(NC[C@@H](O)c3cccc([N+](=O)[O-])c3)cc2)CC1 ZINC000819412347 1008141070 /nfs/dbraw/zinc/14/10/70/1008141070.db2.gz XFFNDLKOJDCEIF-HXUWFJFHSA-N 1 0 370.453 2.882 20 5 FFBDRO COCC(C)(C)[NH+]1CCN(C(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000819636342 1008202570 /nfs/dbraw/zinc/20/25/70/1008202570.db2.gz UAQDJXRPHFBWIV-FYWRMAATSA-N 1 0 361.442 2.567 20 5 FFBDRO CCOC(=O)C1=CC[C@@H]([NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000858504603 1008371020 /nfs/dbraw/zinc/37/10/20/1008371020.db2.gz UWWLLPKHRFGNQS-SWLSCSKDSA-N 1 0 361.398 2.553 20 5 FFBDRO O=C1NCCN1CC[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000886324175 1008636721 /nfs/dbraw/zinc/63/67/21/1008636721.db2.gz ACKFMDHWHHJAHM-UHFFFAOYSA-N 1 0 374.372 2.641 20 5 FFBDRO C[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C[C@](C)(O)c1ccccc1 ZINC000822515782 1008665095 /nfs/dbraw/zinc/66/50/95/1008665095.db2.gz FVRJTBLUUXXEMB-IBGZPJMESA-N 1 0 358.394 2.801 20 5 FFBDRO CC(C)c1ccc(C[NH2+]CCS(=O)(=O)NC(C)(C)C)cc1[N+](=O)[O-] ZINC001177693449 1008718611 /nfs/dbraw/zinc/71/86/11/1008718611.db2.gz SIXJIUFBPVAATD-UHFFFAOYSA-N 1 0 357.476 2.526 20 5 FFBDRO CC1(C)CCC(C[NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001177708024 1008724437 /nfs/dbraw/zinc/72/44/37/1008724437.db2.gz SMJVIJRDSPVQKD-UHFFFAOYSA-N 1 0 369.487 2.679 20 5 FFBDRO COc1cc(Cc2noc([C@H](C(C)C)[C@@H](C)[NH3+])n2)c([N+](=O)[O-])c(OC)c1 ZINC000823147111 1008918152 /nfs/dbraw/zinc/91/81/52/1008918152.db2.gz WNCOSRQNJPTBKM-MEBBXXQBSA-N 1 0 364.402 2.673 20 5 FFBDRO O=C(O[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1 ZINC000860739199 1009132931 /nfs/dbraw/zinc/13/29/31/1009132931.db2.gz ILPHLSAGRXAOBF-OCCSQVGLSA-N 1 0 374.372 2.703 20 5 FFBDRO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C[C@@](C)(O)c1ccccc1 ZINC000823598039 1009135624 /nfs/dbraw/zinc/13/56/24/1009135624.db2.gz DYIWRENPYOIKBB-LJQANCHMSA-N 1 0 357.410 2.763 20 5 FFBDRO Nc1ccc(NC(=O)NC[C@@H]2CC[N@@H+]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000823913830 1009267181 /nfs/dbraw/zinc/26/71/81/1009267181.db2.gz FFLHCWQBRJHDEZ-HNNXBMFYSA-N 1 0 355.398 2.573 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)[NH2+]C/C=C/c2ccc(F)c(F)c2)cc1 ZINC001179524820 1009352378 /nfs/dbraw/zinc/35/23/78/1009352378.db2.gz ASCYDLXJGWHOHM-ZHEVZCJESA-N 1 0 364.348 2.570 20 5 FFBDRO CO[C@H]1C[N@H+](C)[C@@](C)(COC(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)C1 ZINC000861353165 1009371089 /nfs/dbraw/zinc/37/10/89/1009371089.db2.gz MIMAULZURQFLHR-RDTXWAMCSA-N 1 0 366.414 2.648 20 5 FFBDRO COc1cccc(OC)c1C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001179937542 1009498858 /nfs/dbraw/zinc/49/88/58/1009498858.db2.gz MOZOCRHFMOAADY-ZDUSSCGKSA-N 1 0 358.398 2.693 20 5 FFBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cc2ccccc21)N1C[C@@H](C)O[C@@H](C)C1 ZINC000862142302 1009716495 /nfs/dbraw/zinc/71/64/95/1009716495.db2.gz XLQMXVDAAPOHSB-SOUVJXGZSA-N 1 0 371.437 2.976 20 5 FFBDRO CCOC(=O)c1cc(N2c3ccccc3OC[C@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC001171398961 1009978093 /nfs/dbraw/zinc/97/80/93/1009978093.db2.gz YCRUCDTUKYBBSH-CYBMUJFWSA-N 1 0 357.366 2.629 20 5 FFBDRO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCC([NH2+]C2CCC2)CC1 ZINC000889838559 1010147733 /nfs/dbraw/zinc/14/77/33/1010147733.db2.gz JRXUCDQWDRTGFG-UHFFFAOYSA-N 1 0 358.442 2.916 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000817532786 1010255727 /nfs/dbraw/zinc/25/57/27/1010255727.db2.gz JMDBLKLDKNKJBA-INIZCTEOSA-N 1 0 361.442 2.585 20 5 FFBDRO Cc1ccc(NC(=O)[C@@H](c2ccccc2)N(C)C[C@@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000863567598 1010258369 /nfs/dbraw/zinc/25/83/69/1010258369.db2.gz FVBPHQZTSXEPMM-RDTXWAMCSA-N 1 0 356.426 2.862 20 5 FFBDRO Cc1cc(NCC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)nc(C(C)C)n1 ZINC000863575165 1010261282 /nfs/dbraw/zinc/26/12/82/1010261282.db2.gz FSFKQHFRXFPAFQ-MRXNPFEDSA-N 1 0 359.430 2.552 20 5 FFBDRO O=C(Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1)c1cc(F)ccc1[N+](=O)[O-] ZINC000794588366 1010392668 /nfs/dbraw/zinc/39/26/68/1010392668.db2.gz SSWWTSTVFBHJQT-OAHLLOKOSA-N 1 0 359.357 2.553 20 5 FFBDRO CC(C)[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H](O)c1ccccc1 ZINC000794604647 1010437666 /nfs/dbraw/zinc/43/76/66/1010437666.db2.gz MPHUJTGABIMHET-QZTJIDSGSA-N 1 0 357.410 2.542 20 5 FFBDRO C[NH+]1CCN(c2ccnc(NC(=S)Nc3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000865252893 1010753344 /nfs/dbraw/zinc/75/33/44/1010753344.db2.gz BLCDBUTTZPNDSS-UHFFFAOYSA-N 1 0 372.454 2.551 20 5 FFBDRO CN(CC[NH+]1CC2(C1)CCOCC2)c1nccc2ccc([N+](=O)[O-])cc21 ZINC000866257269 1010964115 /nfs/dbraw/zinc/96/41/15/1010964115.db2.gz DFPXQGAOEACGEV-UHFFFAOYSA-N 1 0 356.426 2.692 20 5 FFBDRO CC[NH+]1CCN(c2ccc(Nc3cc[nH]c(=O)c3[N+](=O)[O-])cc2F)CC1 ZINC000866261042 1010964772 /nfs/dbraw/zinc/96/47/72/1010964772.db2.gz NMPITMHTJPDXHR-UHFFFAOYSA-N 1 0 361.377 2.720 20 5 FFBDRO Cc1ccn2c(c1)nnc2C[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172896411 1012096726 /nfs/dbraw/zinc/09/67/26/1012096726.db2.gz PGWPHUTWWXHTMJ-INIZCTEOSA-N 1 0 351.410 2.983 20 5 FFBDRO COc1ncnc2c1CC[N@@H+]([C@H]1CCc3ccc([N+](=O)[O-])cc3CC1)C2 ZINC001172915462 1012099008 /nfs/dbraw/zinc/09/90/08/1012099008.db2.gz NBDCRMVSFBYTQT-HNNXBMFYSA-N 1 0 354.410 2.699 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H](N1CCO[C@@H](C[NH+]3CCCC3)C1)CC2 ZINC001172912214 1012125376 /nfs/dbraw/zinc/12/53/76/1012125376.db2.gz JTVBXYPWAGEEIE-QUCCMNQESA-N 1 0 359.470 2.639 20 5 FFBDRO CN1C(=O)CCC12CC[NH+]([C@H]1CCc3ccc([N+](=O)[O-])cc3CC1)CC2 ZINC001172913460 1012125961 /nfs/dbraw/zinc/12/59/61/1012125961.db2.gz QSWBYYWCQMCMIP-KRWDZBQOSA-N 1 0 357.454 2.929 20 5 FFBDRO Cn1cccc1C[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173006325 1012173985 /nfs/dbraw/zinc/17/39/85/1012173985.db2.gz QOSHIVHNDBJLBV-UHFFFAOYSA-N 1 0 350.369 2.970 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(N2CCC([N@@H+]3CCC[C@@H](CO)CC3)CC2)c(F)c1 ZINC001173010004 1012179495 /nfs/dbraw/zinc/17/94/95/1012179495.db2.gz KPOCRVHABVHDQQ-CYBMUJFWSA-N 1 0 369.412 2.936 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH2+][C@H]3CC[C@H](CO)CC3)CC2)c(F)c1 ZINC001173011321 1012181170 /nfs/dbraw/zinc/18/11/70/1012181170.db2.gz ZVLDHWNXVASIKT-JOCQHMNTSA-N 1 0 369.412 2.983 20 5 FFBDRO CC(C)(C)[C@H](CO)[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173010909 1012181590 /nfs/dbraw/zinc/18/15/90/1012181590.db2.gz LGWXHLUNPSRRLV-HNNXBMFYSA-N 1 0 357.401 2.838 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C[C@H]2COc3cnccc32)c1F ZINC001173180530 1012324055 /nfs/dbraw/zinc/32/40/55/1012324055.db2.gz RGVNHRDWUOAIHU-NEPJUHHUSA-N 1 0 361.373 2.834 20 5 FFBDRO COC(=O)[C@H]1CC[C@H]([NH2+][C@@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C1 ZINC001173186372 1012329430 /nfs/dbraw/zinc/32/94/30/1012329430.db2.gz RNQIQTYFVVIKNO-SRVKXCTJSA-N 1 0 354.378 2.605 20 5 FFBDRO CC[N@H+]1C[C@H]2CN([C@@H](C)Cc3c(F)c(OC)ccc3[N+](=O)[O-])C[C@H]2C1 ZINC001173193920 1012338477 /nfs/dbraw/zinc/33/84/77/1012338477.db2.gz SBGGLIQETRRLJM-MELADBBJSA-N 1 0 351.422 2.557 20 5 FFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](NC(=O)c2ccccn2)C1 ZINC001173237415 1012380975 /nfs/dbraw/zinc/38/09/75/1012380975.db2.gz JEWBJWPZLKOBFC-NVXWUHKLSA-N 1 0 368.437 2.815 20 5 FFBDRO COc1cc(C(=O)NCCC2CC[NH+](C(C)C)CC2)c([N+](=O)[O-])cc1F ZINC000870953041 1012649408 /nfs/dbraw/zinc/64/94/08/1012649408.db2.gz HZNBUELJNKOOIE-UHFFFAOYSA-N 1 0 367.421 2.983 20 5 FFBDRO c1cnc2c(c1)ccc1ccc(-c3noc(-c4n[nH]c5c4C[NH2+]C5)n3)nc12 ZINC001217211069 1032652849 /nfs/dbraw/zinc/65/28/49/1032652849.db2.gz SCIRMRARMKMSHQ-UHFFFAOYSA-N 1 0 355.361 2.826 20 5 FFBDRO C[NH+](C)C1(C)CCC(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000871356609 1012880188 /nfs/dbraw/zinc/88/01/88/1012880188.db2.gz IDBUGWSCOFEZDO-UHFFFAOYSA-N 1 0 371.441 2.773 20 5 FFBDRO C[C@@H](c1ccccc1)[C@H](O)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000827309960 1017566770 /nfs/dbraw/zinc/56/67/70/1017566770.db2.gz IRSNTAZPTHLXFA-OXJNMPFZSA-N 1 0 355.438 2.881 20 5 FFBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)C1 ZINC000748728675 1017579193 /nfs/dbraw/zinc/57/91/93/1017579193.db2.gz QVDRSMBQTWNHQK-ZDUSSCGKSA-N 1 0 364.402 2.582 20 5 FFBDRO CN(C)c1cc(F)c(C(=O)N2CCC3(CCC[N@@H+]3C)CC2)cc1[N+](=O)[O-] ZINC000827748088 1018637105 /nfs/dbraw/zinc/63/71/05/1018637105.db2.gz WDUVXRQVYYSBRM-UHFFFAOYSA-N 1 0 364.421 2.500 20 5 FFBDRO O=C(NC[C@H]1CC[C@H](C[NH2+]Cc2cccc(F)c2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001048607320 1020350638 /nfs/dbraw/zinc/35/06/38/1020350638.db2.gz AQQDTDPOWUWQGA-DTTOXWODSA-N 1 0 363.433 2.503 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@]2(C)C[N@@H+](C)C[C@]2(C)C1 ZINC000931307640 1020414040 /nfs/dbraw/zinc/41/40/40/1020414040.db2.gz NOKLCXGXDPBTRT-KDURUIRLSA-N 1 0 360.458 2.505 20 5 FFBDRO CC(C)C[NH+](CC(C)C)CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000726583366 1020488906 /nfs/dbraw/zinc/48/89/06/1020488906.db2.gz VWWULYGKNWRRHU-UHFFFAOYSA-N 1 0 362.430 2.935 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2CCc3cccc4cccc2c43)c1 ZINC000931810607 1020596785 /nfs/dbraw/zinc/59/67/85/1020596785.db2.gz OOZVWZMDZZAVLK-AEFFLSMTSA-N 1 0 352.394 2.583 20 5 FFBDRO O=[N+]([O-])c1cc(F)cc(Br)c1O[C@@H]1CCC[NH2+]C[C@H]1F ZINC001217944829 1032912435 /nfs/dbraw/zinc/91/24/35/1032912435.db2.gz ATHMVBPDCMZRHY-MWLCHTKSSA-N 1 0 351.147 2.965 20 5 FFBDRO Cc1nn(C[N@H+]2CCC[C@@H](c3ccnn3C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000800858635 1020603660 /nfs/dbraw/zinc/60/36/60/1020603660.db2.gz AXXFEGWXKJDUDK-CQSZACIVSA-N 1 0 354.414 2.824 20 5 FFBDRO C[C@@]1([C@@H]2CCC[N@H+](CCCOc3ccc([N+](=O)[O-])cc3)C2)COC(=O)N1 ZINC000932016178 1020666889 /nfs/dbraw/zinc/66/68/89/1020666889.db2.gz JJYNESCJPRKCDK-KDOFPFPSSA-N 1 0 363.414 2.574 20 5 FFBDRO Cn1ccc(C2CC[NH+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000932142347 1020721458 /nfs/dbraw/zinc/72/14/58/1020721458.db2.gz DAOMUOGYJKORAL-UHFFFAOYSA-N 1 0 357.414 2.537 20 5 FFBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@@H](c2nc3c(s2)CCC3)C1 ZINC000932192445 1020738435 /nfs/dbraw/zinc/73/84/35/1020738435.db2.gz XFJSELWAQURLBF-CYBMUJFWSA-N 1 0 374.466 2.581 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H]1c1ccnn1C ZINC000932266319 1020759455 /nfs/dbraw/zinc/75/94/55/1020759455.db2.gz PZCIKFNGGNGNSS-QGZVFWFLSA-N 1 0 357.414 2.802 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@]1(c2cnn(C)c2)CCCO1 ZINC000903358476 1020802830 /nfs/dbraw/zinc/80/28/30/1020802830.db2.gz JZDJLTVDOPMXTQ-SCLBCKFNSA-N 1 0 360.414 2.693 20 5 FFBDRO C[NH+](C)CC[C@H](N[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)c1cccnc1 ZINC000903381662 1020815232 /nfs/dbraw/zinc/81/52/32/1020815232.db2.gz YJILUSYDGYZVSW-KSZLIROESA-N 1 0 372.473 2.953 20 5 FFBDRO O=C(c1ccc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1)N1CCCC1 ZINC000749665858 1021018895 /nfs/dbraw/zinc/01/88/95/1021018895.db2.gz YELGDVGDUHVKJH-LJQANCHMSA-N 1 0 369.421 2.654 20 5 FFBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000749802207 1021037404 /nfs/dbraw/zinc/03/74/04/1021037404.db2.gz MWFHOJSOUIGSSY-UHFFFAOYSA-N 1 0 367.450 2.559 20 5 FFBDRO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000749813464 1021043184 /nfs/dbraw/zinc/04/31/84/1021043184.db2.gz ZSFSKAMKKDDKDD-OAHLLOKOSA-N 1 0 365.430 2.915 20 5 FFBDRO Cc1ccc(C(=O)c2cc(O)c(O[C@H]3C[NH2+]C[C@@H]3F)c([N+](=O)[O-])c2)cc1 ZINC001218015550 1032954546 /nfs/dbraw/zinc/95/45/46/1032954546.db2.gz UBWWWGHTLZCKBA-BBRMVZONSA-N 1 0 360.341 2.529 20 5 FFBDRO C[C@H]1CC[NH2+]CC[C@H]1Oc1cc(O)cc2oc3c(O)ccc(O)c3c(=O)c12 ZINC001218029363 1032961075 /nfs/dbraw/zinc/96/10/75/1032961075.db2.gz CDABCUBHFQXCCJ-IINYFYTJSA-N 1 0 371.389 2.830 20 5 FFBDRO Cc1cncc([N+](=O)[O-])c1NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001116729472 1021380191 /nfs/dbraw/zinc/38/01/91/1021380191.db2.gz UBIRJTBONWWXCX-IYBDPMFKSA-N 1 0 370.453 2.941 20 5 FFBDRO Cc1c(Br)c(O[C@@H]2CCC[C@]23CC[NH2+]C3)ncc1[N+](=O)[O-] ZINC001218097954 1032991944 /nfs/dbraw/zinc/99/19/44/1032991944.db2.gz WJQFXUHNXIMRGF-BXUZGUMPSA-N 1 0 356.220 2.972 20 5 FFBDRO O=[N+]([O-])c1ccc(O[C@@H]2CC[C@]23CC[NH2+]C3)c(I)c1 ZINC001218119865 1033006739 /nfs/dbraw/zinc/00/67/39/1033006739.db2.gz ZGVLXHOXUIIUKO-CHWSQXEVSA-N 1 0 374.178 2.720 20 5 FFBDRO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000041864696 1022115142 /nfs/dbraw/zinc/11/51/42/1022115142.db2.gz JZLRHLTVKVXBFE-ONWOKCAKSA-N 1 0 361.442 2.612 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCN(C[C@H]3CCC[NH2+]C3)CC2)c(C(F)(F)F)c1 ZINC001118557039 1022287536 /nfs/dbraw/zinc/28/75/36/1022287536.db2.gz AUUWMUZSIDVWLK-ZDUSSCGKSA-N 1 0 372.391 2.735 20 5 FFBDRO C/C(=C\C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000752029344 1023028665 /nfs/dbraw/zinc/02/86/65/1023028665.db2.gz DPJZJZSKFKIQSY-FDPSAONLSA-N 1 0 361.442 2.567 20 5 FFBDRO COc1ccc(C(=O)N2CCC(C[NH3+])(c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC001122269142 1023157191 /nfs/dbraw/zinc/15/71/91/1023157191.db2.gz JSUVJTYDWISYCW-UHFFFAOYSA-N 1 0 369.421 2.736 20 5 FFBDRO CCOc1ccc(C(=O)N2CCC3(CCC[C@@H]3C[NH3+])CC2)cc1[N+](=O)[O-] ZINC001122464158 1023287293 /nfs/dbraw/zinc/28/72/93/1023287293.db2.gz RPHMMYSIZVQPOS-OAHLLOKOSA-N 1 0 361.442 2.975 20 5 FFBDRO [NH3+]C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C[C@H]1c1ccccc1 ZINC001122485693 1023299413 /nfs/dbraw/zinc/29/94/13/1023299413.db2.gz OAAGTDWGLBLLDL-AFYVEPGGSA-N 1 0 365.433 2.899 20 5 FFBDRO CC(C)(C)OC(=O)C1CCC(O)(C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001120560532 1023361266 /nfs/dbraw/zinc/36/12/66/1023361266.db2.gz FMDXYIGNYYALAS-UHFFFAOYSA-N 1 0 364.442 2.947 20 5 FFBDRO C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N)C1CC1 ZINC000189961941 1023376754 /nfs/dbraw/zinc/37/67/54/1023376754.db2.gz CLEIPBMAMIHDEB-IBGZPJMESA-N 1 0 368.437 2.817 20 5 FFBDRO O=[N+]([O-])c1ccc(I)c(O[C@@H]2C[NH2+]CCC23CC3)c1 ZINC001218407764 1033142066 /nfs/dbraw/zinc/14/20/66/1033142066.db2.gz ZVFNNYBLZGRHSN-GFCCVEGCSA-N 1 0 374.178 2.720 20 5 FFBDRO C[C@@H]1C[NH2+]CC[C@H]1Oc1cc([N+](=O)[O-])ccc1I ZINC001218412850 1033144103 /nfs/dbraw/zinc/14/41/03/1033144103.db2.gz GOYXVZZVZWAJAP-LDYMZIIASA-N 1 0 362.167 2.576 20 5 FFBDRO C[C@H](OC(=O)CCn1cc([N+](=O)[O-])cn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000755891978 1023647503 /nfs/dbraw/zinc/64/75/03/1023647503.db2.gz YYSQSKLHASXCTN-DOTOQJQBSA-N 1 0 372.425 2.635 20 5 FFBDRO C[C@@]1(COC(=O)Cn2ccc([N+](=O)[O-])n2)CCCC[N@@H+]1Cc1ccccc1 ZINC000755914571 1023650331 /nfs/dbraw/zinc/65/03/31/1023650331.db2.gz FJOLOWABOBJESR-IBGZPJMESA-N 1 0 372.425 2.779 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)CCc3cc(F)ccc3[N+](=O)[O-])C[C@@H]2C1 ZINC001121237586 1023662768 /nfs/dbraw/zinc/66/27/68/1023662768.db2.gz CPJZZTGJXVGXFC-YQQAZPJKSA-N 1 0 363.433 2.855 20 5 FFBDRO O=[N+]([O-])c1cc(Br)c(F)cc1O[C@@H]1C[NH2+]CCC1(F)F ZINC001218449326 1033160469 /nfs/dbraw/zinc/16/04/69/1033160469.db2.gz UIYWBQVPDRZKLK-SNVBAGLBSA-N 1 0 355.110 2.872 20 5 FFBDRO CCC[C@@H]1CCC[N@H+](CN2C(=O)N[C@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000757610422 1023836981 /nfs/dbraw/zinc/83/69/81/1023836981.db2.gz MWSUHVDWGANHBP-AUUYWEPGSA-N 1 0 374.441 2.831 20 5 FFBDRO C[NH+]1CCC2(CC[C@@H](COCc3nc4cc([N+](=O)[O-])ccc4o3)O2)CC1 ZINC001222925747 1033207094 /nfs/dbraw/zinc/20/70/94/1033207094.db2.gz PTGSTIQHUBUESL-AWEZNQCLSA-N 1 0 361.398 2.896 20 5 FFBDRO CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)OCC[C@@H]1CCCC[N@H+]1C ZINC000838096679 1026203648 /nfs/dbraw/zinc/20/36/48/1026203648.db2.gz OUIGQQNGTWCTEA-LBPRGKRZSA-N 1 0 367.377 2.724 20 5 FFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@]1(O)CCc2ccccc21 ZINC000090795690 1026439775 /nfs/dbraw/zinc/43/97/75/1026439775.db2.gz IEPVORXCKGZULJ-JLTOFOAXSA-N 1 0 369.421 2.736 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2ncn(C[N@H+]3CCCC[C@@H]3[C@@H]3CCC[C@H]3O)n2)c1 ZINC000840114437 1026961914 /nfs/dbraw/zinc/96/19/14/1026961914.db2.gz IDYXXGVHKPOWCI-RCCFBDPRSA-N 1 0 371.441 2.826 20 5 FFBDRO C[C@@]12C[N@H+](Cn3cnc(-c4ccc([N+](=O)[O-])cc4)n3)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000840116296 1026962823 /nfs/dbraw/zinc/96/28/23/1026962823.db2.gz OAKLXBMMMKTGTO-GFIVTLFCSA-N 1 0 351.410 2.955 20 5 FFBDRO Cc1nn(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)c2ncc([N+](=O)[O-])cc12 ZINC000840117172 1026964439 /nfs/dbraw/zinc/96/44/39/1026964439.db2.gz SKSGVOHMYIMWDP-DJIMGWMZSA-N 1 0 359.430 2.621 20 5 FFBDRO Cn1ncc([N+](=O)[O-])c1C(=O)OCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000840397254 1027069852 /nfs/dbraw/zinc/06/98/52/1027069852.db2.gz SBAYDDIPYFSKTM-UHFFFAOYSA-N 1 0 358.398 2.671 20 5 FFBDRO [NH3+]Cc1ccc2c(n1)N(C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1)CCC2 ZINC001158648575 1027083940 /nfs/dbraw/zinc/08/39/40/1027083940.db2.gz BLOFKMVMRLLFGD-UHFFFAOYSA-N 1 0 369.759 2.999 20 5 FFBDRO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1NC(C)(C)CC[NH+](C)C ZINC001158754133 1027123190 /nfs/dbraw/zinc/12/31/90/1027123190.db2.gz QALFLQSWKOZGHY-UHFFFAOYSA-N 1 0 358.826 2.962 20 5 FFBDRO Cc1c(Nc2ccc(N3CC[NH2+]CC3)cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001159455748 1027396431 /nfs/dbraw/zinc/39/64/31/1027396431.db2.gz KBMQUHNTIMWAGE-UHFFFAOYSA-N 1 0 357.370 2.965 20 5 FFBDRO CCOC(=O)c1ccnc(N(Cc2ccccc2)C[C@@H](C)C[NH3+])c1[N+](=O)[O-] ZINC001160667145 1027793195 /nfs/dbraw/zinc/79/31/95/1027793195.db2.gz HPOIQDPVQYOHLV-AWEZNQCLSA-N 1 0 372.425 2.768 20 5 FFBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N[C@H]2CC[NH2+]C[C@@H]2C(F)(F)F)n1 ZINC001160737845 1027845437 /nfs/dbraw/zinc/84/54/37/1027845437.db2.gz REYQVYNPJXKPPF-WDSKDSINSA-N 1 0 371.772 2.712 20 5 FFBDRO CSc1nc(Cl)nc(N[C@@H]2CC[NH2+]C[C@H]2C(F)(F)F)c1[N+](=O)[O-] ZINC001160739470 1027847549 /nfs/dbraw/zinc/84/75/49/1027847549.db2.gz MQCKCFCFDYCKJC-PHDIDXHHSA-N 1 0 371.772 2.712 20 5 FFBDRO N=c1nc([C@@H]2CCC[NH2+]2)ccn1C(=O)c1cccc2nc3ccccc3nc21 ZINC001153866781 1028035467 /nfs/dbraw/zinc/03/54/67/1028035467.db2.gz RKPBETFFUBPVHV-AWEZNQCLSA-N 1 0 370.416 2.572 20 5 FFBDRO O=[N+]([O-])c1cnc(Cl)cc1NC1CC[NH+](CC2CCOCC2)CC1 ZINC001161212971 1028071027 /nfs/dbraw/zinc/07/10/27/1028071027.db2.gz XAENOVFCZYXQAE-UHFFFAOYSA-N 1 0 354.838 2.946 20 5 FFBDRO CCOc1nc(NCC2CC[NH+](C3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC001161240182 1028088176 /nfs/dbraw/zinc/08/81/76/1028088176.db2.gz KEONIAHLPLMHIB-UHFFFAOYSA-N 1 0 364.446 2.691 20 5 FFBDRO CN(CCC[N@H+](C)Cc1ccco1)Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000795754624 1028097757 /nfs/dbraw/zinc/09/77/57/1028097757.db2.gz ZGVGCABVKAEISN-UHFFFAOYSA-N 1 0 374.397 2.507 20 5 FFBDRO CCOc1nc(N(c2ccncn2)[C@H]2CC[C@H]([NH3+])CC2)ccc1[N+](=O)[O-] ZINC001161366064 1028148710 /nfs/dbraw/zinc/14/87/10/1028148710.db2.gz SNPHBCGXMYFMOI-JOCQHMNTSA-N 1 0 358.402 2.587 20 5 FFBDRO O=[N+]([O-])c1cc(NC2(Cc3ccccn3)CC[NH2+]CC2)nc2[nH]ccc21 ZINC001161495593 1028199945 /nfs/dbraw/zinc/19/99/45/1028199945.db2.gz WQSGCRRPNCGOSC-UHFFFAOYSA-N 1 0 352.398 2.643 20 5 FFBDRO C[NH+](C)CC(=O)N[C@H]1CC[C@H](Nc2ncc([N+](=O)[O-])c3ccccc32)CC1 ZINC001161670174 1028272312 /nfs/dbraw/zinc/27/23/12/1028272312.db2.gz WKYVJCAYUDJRSE-HDJSIYSDSA-N 1 0 371.441 2.544 20 5 FFBDRO COc1nc(Nc2ccc(Br)cc2C[NH3+])ccc1[N+](=O)[O-] ZINC001161852183 1028334157 /nfs/dbraw/zinc/33/41/57/1028334157.db2.gz DKGBNWLWQYRVIC-UHFFFAOYSA-N 1 0 353.176 2.963 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])cnc1NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001161885283 1028349204 /nfs/dbraw/zinc/34/92/04/1028349204.db2.gz MFHONRRTWGICHW-HNNXBMFYSA-N 1 0 370.409 2.853 20 5 FFBDRO COC(=O)c1ccc(C[NH3+])n1-c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC001161939637 1028370692 /nfs/dbraw/zinc/37/06/92/1028370692.db2.gz FCQFJDZYDIOVCN-UHFFFAOYSA-N 1 0 370.340 2.832 20 5 FFBDRO CC[N@@H+](Cc1cccc(F)c1)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000957713052 1028582378 /nfs/dbraw/zinc/58/23/78/1028582378.db2.gz JEVRUYNFPUIFTK-QZTJIDSGSA-N 1 0 363.433 2.551 20 5 FFBDRO Cc1ccc2c(c1)[C@H](Nc1ccc([N+](=O)[O-])c(OCC[NH+](C)C)c1)C(=O)N2 ZINC001162575629 1028585307 /nfs/dbraw/zinc/58/53/07/1028585307.db2.gz OWKCYPIGUICDKV-SFHVURJKSA-N 1 0 370.409 2.949 20 5 FFBDRO CCOC1(OCC)CC[NH2+]C[C@H]1Nc1ncc([N+](=O)[O-])c2ccccc21 ZINC001155227047 1028633289 /nfs/dbraw/zinc/63/32/89/1028633289.db2.gz HSJPRCFXVMCENC-MRXNPFEDSA-N 1 0 360.414 2.686 20 5 FFBDRO CCOC1(OCC)CC[NH2+]C[C@@H]1Nc1nccc2cc([N+](=O)[O-])ccc21 ZINC001155230870 1028637113 /nfs/dbraw/zinc/63/71/13/1028637113.db2.gz DWBOAYDQUHKATF-INIZCTEOSA-N 1 0 360.414 2.686 20 5 FFBDRO O=[N+]([O-])c1cc2c(nc1NC[C@@H]1CCC3(CC[NH2+]CC3)CO1)CCCC2 ZINC001162957684 1028731451 /nfs/dbraw/zinc/73/14/51/1028731451.db2.gz ROAUJLMLXFUYQX-HNNXBMFYSA-N 1 0 360.458 2.829 20 5 FFBDRO O=[N+]([O-])c1ccc2nc(NCC[C@@H]3C[NH2+]Cc4cccn4C3)cnc2c1 ZINC001155454352 1028741666 /nfs/dbraw/zinc/74/16/66/1028741666.db2.gz SODXOAREGVMZLD-CYBMUJFWSA-N 1 0 352.398 2.561 20 5 FFBDRO C[C@H]1CN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)CCc2ccc(Cl)cc21 ZINC001155470396 1028750285 /nfs/dbraw/zinc/75/02/85/1028750285.db2.gz OFOQGMCYKHRGGH-NSHDSACASA-N 1 0 373.844 2.891 20 5 FFBDRO O=[N+]([O-])c1cc2nc(Cl)ccc2cc1NC[C@H]1OC[C@H]2C[NH2+]CC[C@H]21 ZINC001155526731 1028776891 /nfs/dbraw/zinc/77/68/91/1028776891.db2.gz RRHOQBWPAHXMPS-XHBSWPGZSA-N 1 0 362.817 2.833 20 5 FFBDRO COc1cccc(N(c2nc(Cl)ncc2[N+](=O)[O-])C2CC[NH2+]CC2)c1 ZINC001155604695 1028814009 /nfs/dbraw/zinc/81/40/09/1028814009.db2.gz NOALEEUNJUDRAQ-UHFFFAOYSA-N 1 0 363.805 2.937 20 5 FFBDRO NC1=CC=C(C2CCN(c3nc(Cl)c(Cl)cc3[N+](=O)[O-])CC2)[NH2+]C1 ZINC001163131112 1028816514 /nfs/dbraw/zinc/81/65/14/1028816514.db2.gz OUOKZIPZCLVLTI-UHFFFAOYSA-N 1 0 370.240 2.843 20 5 FFBDRO C[NH+](C)C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1N)c1ccc(Cl)cc1 ZINC001155644160 1028831180 /nfs/dbraw/zinc/83/11/80/1028831180.db2.gz ZGGDKBBPFMHLRL-INIZCTEOSA-N 1 0 362.817 2.863 20 5 FFBDRO COc1cccc([C@@H](C[NH3+])Nc2nc(Cl)nc(Cl)c2[N+](=O)[O-])c1 ZINC001163307424 1028883130 /nfs/dbraw/zinc/88/31/30/1028883130.db2.gz YRFNYYWIZBPZSN-SECBINFHSA-N 1 0 358.185 2.812 20 5 FFBDRO O=[N+]([O-])c1cc2nc(Cl)ccc2cc1N(c1ncccn1)C1C[NH2+]C1 ZINC001155880377 1028956375 /nfs/dbraw/zinc/95/63/75/1028956375.db2.gz ZSAZAXSJKFMNNR-UHFFFAOYSA-N 1 0 356.773 2.696 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2ccc(N[C@H]3CCCC[C@@]34C[NH2+]CCO4)nn2)c1 ZINC001163644157 1029005645 /nfs/dbraw/zinc/00/56/45/1029005645.db2.gz AGHNSRYAYBJJBR-PKOBYXMFSA-N 1 0 369.425 2.765 20 5 FFBDRO O=[N+]([O-])c1cnc(N[C@H]2CCCC[C@@]23C[NH2+]CCO3)c(C(F)(F)F)c1 ZINC001163649585 1029007362 /nfs/dbraw/zinc/00/73/62/1029007362.db2.gz AMQXUKNXJYTXGE-GXTWGEPZSA-N 1 0 360.336 2.722 20 5 FFBDRO CCOc1nc(NCc2cccnc2C2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC001155999923 1029007519 /nfs/dbraw/zinc/00/75/19/1029007519.db2.gz LTFOFGAOCVQCAT-UHFFFAOYSA-N 1 0 357.414 2.863 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)cc(N2CCC(COCC[NH+]3CCCC3)CC2)n1 ZINC001163881729 1029102836 /nfs/dbraw/zinc/10/28/36/1029102836.db2.gz VELLKLGVUWSCOS-UHFFFAOYSA-N 1 0 368.865 2.972 20 5 FFBDRO [NH3+]CCONC(F)(F)c1cnc(Cl)c(-c2cccc([N+](=O)[O-])c2)c1 ZINC001156292742 1029129761 /nfs/dbraw/zinc/12/97/61/1029129761.db2.gz ALNDDWNIXWPSQE-UHFFFAOYSA-N 1 0 358.732 2.839 20 5 FFBDRO CNC(=O)c1ccc(N2CC[NH2+][C@H](c3ccc(Cl)cc3)C2)c([N+](=O)[O-])c1 ZINC001164400825 1029275924 /nfs/dbraw/zinc/27/59/24/1029275924.db2.gz NDWFWRFFRPQRMT-HNNXBMFYSA-N 1 0 374.828 2.759 20 5 FFBDRO Cc1cc(N2C[C@@H]3C[C@]3(C[NH+](C)C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001165184090 1029438687 /nfs/dbraw/zinc/43/86/87/1029438687.db2.gz YRMXMOAALOCOBX-KXBFYZLASA-N 1 0 353.426 2.748 20 5 FFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H](CO)c2ccc(C(F)(F)F)cc2)c1 ZINC000782093167 1029566355 /nfs/dbraw/zinc/56/63/55/1029566355.db2.gz YUBOSNRILHYYJJ-HOTGVXAUSA-N 1 0 370.327 2.970 20 5 FFBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N[C@@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)n1 ZINC001158272410 1029782383 /nfs/dbraw/zinc/78/23/83/1029782383.db2.gz ZRUYJLBRTLBETH-PXAZEXFGSA-N 1 0 364.450 2.607 20 5 FFBDRO COc1cc(C)nc(N(c2ccncc2F)C2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001158340592 1029801949 /nfs/dbraw/zinc/80/19/49/1029801949.db2.gz VIMRJZFASVPFDC-UHFFFAOYSA-N 1 0 361.377 2.731 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC(C)(C)[C@H]1COCC12OCCO2 ZINC000840802558 1029886084 /nfs/dbraw/zinc/88/60/84/1029886084.db2.gz MFONYWOGCWWWDM-WMLDXEAASA-N 1 0 364.442 2.970 20 5 FFBDRO O=[N+]([O-])c1cc(-c2ccc(N3CC[C@]4(C3)CCC[NH2+]C4)nn2)ccc1F ZINC001165241288 1029911980 /nfs/dbraw/zinc/91/19/80/1029911980.db2.gz CCPMTRFKFIPRKV-GOSISDBHSA-N 1 0 357.389 2.771 20 5 FFBDRO Cc1cccc(N(c2cc(N)c([N+](=O)[O-])cn2)[C@@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001165772626 1030118374 /nfs/dbraw/zinc/11/83/74/1030118374.db2.gz HVAWTZPXOWYNAX-KXBFYZLASA-N 1 0 369.425 2.540 20 5 FFBDRO Cc1cccc(N(c2ncc([N+](=O)[O-])c(C)n2)[C@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC001165774462 1030120458 /nfs/dbraw/zinc/12/04/58/1030120458.db2.gz CXVGOBIUTSHOOC-VQIMIIECSA-N 1 0 369.425 2.661 20 5 FFBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC001142221308 1030180992 /nfs/dbraw/zinc/18/09/92/1030180992.db2.gz AFWKWANNAOEVMQ-UONOGXRCSA-N 1 0 351.422 2.903 20 5 FFBDRO CS(=O)(=O)N(c1cccc(C[NH3+])c1)c1nccc2c1cccc2[N+](=O)[O-] ZINC001166410052 1030397382 /nfs/dbraw/zinc/39/73/82/1030397382.db2.gz GROIYSOSPNIOGT-UHFFFAOYSA-N 1 0 372.406 2.699 20 5 FFBDRO N=c1sc2c(n1-c1ccc3c(ccc(Cl)c3[N+](=O)[O-])n1)CC[NH2+]C2 ZINC001166860965 1030553668 /nfs/dbraw/zinc/55/36/68/1030553668.db2.gz YGAPSZFZOVGGOK-UHFFFAOYSA-N 1 0 361.814 2.774 20 5 FFBDRO Nc1nc(N(CC[NH3+])Cc2ccc(Cl)cc2Cl)ccc1[N+](=O)[O-] ZINC001166910841 1030572442 /nfs/dbraw/zinc/57/24/42/1030572442.db2.gz PFWWWXIRMOQSOO-UHFFFAOYSA-N 1 0 356.213 2.844 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ncn(C[N@@H+]3CCC[C@@H]3[C@H]3CCCOC3)n2)cc1 ZINC000842613230 1030821496 /nfs/dbraw/zinc/82/14/96/1030821496.db2.gz BEIIXWLQJIEDCH-DOTOQJQBSA-N 1 0 357.414 2.702 20 5 FFBDRO O=C1N(C[N@@H+]2CCC[C@@H]2[C@H]2CCCOC2)CCN1c1ccccc1[N+](=O)[O-] ZINC000842620102 1030834347 /nfs/dbraw/zinc/83/43/47/1030834347.db2.gz YRTATGJDMZCBII-JKSUJKDBSA-N 1 0 374.441 2.685 20 5 FFBDRO CC(C)NC(=O)OC[C@@H]1CCCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000796715557 1030895293 /nfs/dbraw/zinc/89/52/93/1030895293.db2.gz GIGDVFVFWCVOJU-INIZCTEOSA-N 1 0 365.430 2.963 20 5 FFBDRO Cn1nccc1[C@@H](O)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC001203810918 1030901496 /nfs/dbraw/zinc/90/14/96/1030901496.db2.gz YDMDJZXJNIBKKW-INIZCTEOSA-N 1 0 358.423 2.880 20 5 FFBDRO CC[NH+](CC)[C@H](CNC(=O)c1cc([N+](=O)[O-])cn1C)c1cccc(OC)c1 ZINC000797552451 1031150333 /nfs/dbraw/zinc/15/03/33/1031150333.db2.gz CMBRPMQOLGWSGK-GOSISDBHSA-N 1 0 374.441 2.755 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@@]2(CO)C[C@@H]2c2ccc(F)cc2)cc1 ZINC000843110556 1031190016 /nfs/dbraw/zinc/19/00/16/1031190016.db2.gz NUNLNQVXCDHOEE-GUDVDZBRSA-N 1 0 360.385 2.523 20 5 FFBDRO C[N@H+](CCCCNC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N)C1CC1 ZINC001535253558 1069752106 /nfs/dbraw/zinc/75/21/06/1069752106.db2.gz BEOCZGLABLEKNN-UHFFFAOYSA-N 1 0 356.426 2.934 20 5 FFBDRO c1cnc2c(c1)ccc1ccc(-c3noc(C4CN([C@H]5CC[NH2+]C5)C4)n3)nc12 ZINC001205258881 1031635841 /nfs/dbraw/zinc/63/58/41/1031635841.db2.gz COYOKZPGUYGZMV-INIZCTEOSA-N 1 0 372.432 2.594 20 5 FFBDRO C[C@@H]1C[C@@H]2CC[C@@H](C(=O)NCc3cc([N+](=O)[O-])ccc3Cl)C[N@@H+]2C1 ZINC001150828042 1031789748 /nfs/dbraw/zinc/78/97/48/1031789748.db2.gz WEGAMYCAMSUKQV-BZPMIXESSA-N 1 0 351.834 2.985 20 5 FFBDRO O=C([C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)N1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001150941431 1031816691 /nfs/dbraw/zinc/81/66/91/1031816691.db2.gz DYEZXFHIJCGWFS-YZGWKJHDSA-N 1 0 365.433 2.741 20 5 FFBDRO Nc1cc2nc3ccccc3nc2cc1NC(=O)[C@@H]([NH3+])Cc1cccc(O)c1 ZINC001218857318 1033379342 /nfs/dbraw/zinc/37/93/42/1033379342.db2.gz KIWZHTPKCNHOPE-HNNXBMFYSA-N 1 0 373.416 2.579 20 5 FFBDRO O=C(NCc1ccccc1)[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000830213653 1033515814 /nfs/dbraw/zinc/51/58/14/1033515814.db2.gz METVVYAREMXNNU-INIZCTEOSA-N 1 0 357.385 2.872 20 5 FFBDRO C[C@@H](NC(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-])c1ccc[nH]1 ZINC001220186812 1034029867 /nfs/dbraw/zinc/02/98/67/1034029867.db2.gz NGUFXGCBHOKPOH-CYBMUJFWSA-N 1 0 372.429 2.557 20 5 FFBDRO Cn1cc(CCNC(=O)[C@@H]([NH3+])Cc2c3ccccc3cc3ccccc32)cn1 ZINC001220276999 1034092405 /nfs/dbraw/zinc/09/24/05/1034092405.db2.gz WMNAAUZZGBXQLZ-QFIPXVFZSA-N 1 0 372.472 2.955 20 5 FFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 ZINC000831572903 1034129506 /nfs/dbraw/zinc/12/95/06/1034129506.db2.gz XDRXJPKVSMQVLT-UPJWGTAASA-N 1 0 371.359 2.998 20 5 FFBDRO O=c1cc[nH]c(O[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)c1[N+](=O)[O-] ZINC001225664526 1034358835 /nfs/dbraw/zinc/35/88/35/1034358835.db2.gz QCENFWHHGIUHTC-HLLBOEOZSA-N 1 0 355.394 2.985 20 5 FFBDRO Cc1nnc(CNC(=O)[C@@H]([NH3+])Cc2c3ccccc3cc3ccccc32)o1 ZINC001221010418 1034497680 /nfs/dbraw/zinc/49/76/80/1034497680.db2.gz GZKVXXIUWYLECK-IBGZPJMESA-N 1 0 360.417 2.871 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1O[C@H]1COCC[N@H+](Cc2ccccc2)C1 ZINC001227188876 1034966625 /nfs/dbraw/zinc/96/66/25/1034966625.db2.gz YISSVNPXFFHKOG-QGZVFWFLSA-N 1 0 358.394 2.883 20 5 FFBDRO C[NH+]1CCC2(CC[C@@H](COc3cc(=O)[nH]c4ccc([N+](=O)[O-])cc43)O2)CC1 ZINC001227216960 1034972803 /nfs/dbraw/zinc/97/28/03/1034972803.db2.gz VIESJHBRVZSMRB-AWEZNQCLSA-N 1 0 373.409 2.871 20 5 FFBDRO C[C@@H](C[N+](C)(C)C)Oc1c(I)nnc2ccccc21 ZINC001228769470 1036314065 /nfs/dbraw/zinc/31/40/65/1036314065.db2.gz SGYXAAROFKORCP-JTQLQIEISA-N 1 0 372.230 2.708 20 5 FFBDRO C[NH+]1CCC2(CC[C@@H](COc3ccc([N+](=O)[O-])c([N+](=O)[O-])c3)O2)CC1 ZINC001233705410 1036725440 /nfs/dbraw/zinc/72/54/40/1036725440.db2.gz XJPNCWBRKANRKC-ZDUSSCGKSA-N 1 0 351.359 2.525 20 5 FFBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cccc2cc(Br)ccc21 ZINC001233721958 1036731543 /nfs/dbraw/zinc/73/15/43/1036731543.db2.gz OBVMIDVNYVYVNF-CQSZACIVSA-N 1 0 367.263 2.965 20 5 FFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1nnc(C2CCOCC2)[nH]1 ZINC001207083872 1037130391 /nfs/dbraw/zinc/13/03/91/1037130391.db2.gz TZHVADAJLFBQON-CYBMUJFWSA-N 1 0 359.430 2.718 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(O[C@H]2CC[C@@H]([NH+]3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC001230493638 1037294000 /nfs/dbraw/zinc/29/40/00/1037294000.db2.gz HVTROZAFROWGQE-OKILXGFUSA-N 1 0 365.386 2.834 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC001537097845 1070119647 /nfs/dbraw/zinc/11/96/47/1070119647.db2.gz YLVWWSJLCRAZCN-WBVHZDCISA-N 1 0 368.437 2.939 20 5 FFBDRO CCOC(=O)C[C@@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC001256086880 1038371103 /nfs/dbraw/zinc/37/11/03/1038371103.db2.gz GYWYTHFJWUUAFX-CYBMUJFWSA-N 1 0 365.430 2.504 20 5 FFBDRO COc1cc(N2CCC([NH2+]CC3(C)CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC001256087718 1038371875 /nfs/dbraw/zinc/37/18/75/1038371875.db2.gz MZDADZGOKDNMSU-UHFFFAOYSA-N 1 0 363.458 2.979 20 5 FFBDRO COc1cc(N2CCC([NH2+][C@@H]3C[C@@]34CCCOC4)CC2)ccc1[N+](=O)[O-] ZINC001256092637 1038378255 /nfs/dbraw/zinc/37/82/55/1038378255.db2.gz TVNHNSUIOVGWBS-RTBURBONSA-N 1 0 361.442 2.731 20 5 FFBDRO COc1cc(N2CCC([N@@H+]3CCCC4(COC4)C3)CC2)ccc1[N+](=O)[O-] ZINC001256093485 1038379209 /nfs/dbraw/zinc/37/92/09/1038379209.db2.gz MLXAZVXVSLXJNK-UHFFFAOYSA-N 1 0 361.442 2.685 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C[C@H]2Cc3ccccc3CN2)c1F ZINC001246281450 1039296578 /nfs/dbraw/zinc/29/65/78/1039296578.db2.gz RQODUABRDLROEM-XJKSGUPXSA-N 1 0 373.428 2.978 20 5 FFBDRO COc1cc(N2CCC([N@@H+]3C[C@H](C)CC[C@@H]3CN)CC2)ccc1[N+](=O)[O-] ZINC001246555914 1039396195 /nfs/dbraw/zinc/39/61/95/1039396195.db2.gz INGQHGQDNATJBQ-RHSMWYFYSA-N 1 0 362.474 2.631 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CC[C@]3(C2)CCC[NH2+]C3)c1F ZINC001246600009 1039411588 /nfs/dbraw/zinc/41/15/88/1039411588.db2.gz CNTAXULRMWHZGN-FZKQIMNGSA-N 1 0 351.422 2.749 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1Nc1ccc(N2CC[NH+](C)CC2)c(CO)c1 ZINC001210445901 1039551445 /nfs/dbraw/zinc/55/14/45/1039551445.db2.gz CXQODBHHTVIJBW-UHFFFAOYSA-N 1 0 372.425 2.591 20 5 FFBDRO c1cnc2c(c1)ccc1ccc(-c3noc([C@H]4C[NH2+][C@@H]5CCO[C@@H]54)n3)nc12 ZINC001247950457 1040070674 /nfs/dbraw/zinc/07/06/74/1040070674.db2.gz PJGDCJCFRHGAIY-PMUMKWKESA-N 1 0 359.389 2.677 20 5 FFBDRO COCc1cccc(-c2noc(C[C@H]([NH3+])Cc3ccc([N+](=O)[O-])cc3)n2)c1 ZINC001248214499 1040176419 /nfs/dbraw/zinc/17/64/19/1040176419.db2.gz OUHCYIWKVKHLCK-MRXNPFEDSA-N 1 0 368.393 2.904 20 5 FFBDRO Nc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC001299674008 1040568326 /nfs/dbraw/zinc/56/83/26/1040568326.db2.gz DSOQXKRLXBOITI-BEFAXECRSA-N 1 0 366.421 2.524 20 5 FFBDRO COc1cccc(-c2noc(C[C@@H]([NH3+])c3ccc([N+](=O)[O-])cc3)n2)c1OC ZINC001249343245 1040692513 /nfs/dbraw/zinc/69/25/13/1040692513.db2.gz WQVDAVVRNDGWRE-CQSZACIVSA-N 1 0 370.365 2.905 20 5 FFBDRO COc1ccc(OC)c(-c2noc(C[C@@H]([NH3+])c3ccccc3[N+](=O)[O-])n2)c1 ZINC001249343344 1040692848 /nfs/dbraw/zinc/69/28/48/1040692848.db2.gz YILPWOMRJQWLEW-CQSZACIVSA-N 1 0 370.365 2.905 20 5 FFBDRO Cc1cccn2c(C[NH2+]C3CCN(c4ccc([N+](=O)[O-])cc4)CC3)nnc12 ZINC001254464798 1040733250 /nfs/dbraw/zinc/73/32/50/1040733250.db2.gz LLVFBBXFYQGDDL-UHFFFAOYSA-N 1 0 366.425 2.705 20 5 FFBDRO COC(=O)c1ccc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC001254476053 1040741762 /nfs/dbraw/zinc/74/17/62/1040741762.db2.gz KENACVZIIJIZIX-UHFFFAOYSA-N 1 0 370.409 2.535 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CC[C@@](CO)(C(F)(F)F)C3)CC2)cc1 ZINC001254475084 1040742972 /nfs/dbraw/zinc/74/29/72/1040742972.db2.gz ZYFYDPZZQGBOCM-MRXNPFEDSA-N 1 0 373.375 2.810 20 5 FFBDRO CCC(=O)N(C)C1CC[NH+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001254481596 1040748034 /nfs/dbraw/zinc/74/80/34/1040748034.db2.gz DZDWUXVXMYUVSI-UHFFFAOYSA-N 1 0 374.485 2.896 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1CCN(c2ccncn2)CC1 ZINC001254543678 1040788610 /nfs/dbraw/zinc/78/86/10/1040788610.db2.gz FUFKQEZQHBTIIH-HNNXBMFYSA-N 1 0 355.442 2.822 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1C[C@H]2CN(Cc3cccnc3)C[C@H]2C1 ZINC001254561858 1040798537 /nfs/dbraw/zinc/79/85/37/1040798537.db2.gz MXXGTEIHYXXHGI-FFZOFVMBSA-N 1 0 366.465 2.985 20 5 FFBDRO O=C(c1ccccc1)N1CCC[C@H]([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254575642 1040810075 /nfs/dbraw/zinc/81/00/75/1040810075.db2.gz SBLSTPXNWUBSME-OALUTQOASA-N 1 0 365.433 2.956 20 5 FFBDRO CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254572898 1040810997 /nfs/dbraw/zinc/81/09/97/1040810997.db2.gz UUBGYXNWQVWDPJ-KHYOSLBOSA-N 1 0 359.426 2.661 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]Cc1ccnc(OCC3CCC3)n1)C2 ZINC001254586192 1040818471 /nfs/dbraw/zinc/81/84/71/1040818471.db2.gz IFVWMGVOPUCAOX-QGZVFWFLSA-N 1 0 354.410 2.821 20 5 FFBDRO O=C1CC[C@H]2[C@H](CC[N@H+]2[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)N1CC1CC1 ZINC001254596241 1040825653 /nfs/dbraw/zinc/82/56/53/1040825653.db2.gz MVQJLLYJZUOCII-QYZOEREBSA-N 1 0 355.438 2.537 20 5 FFBDRO CC(=O)N1CCCCC12CC[NH+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)CC2 ZINC001254597132 1040827248 /nfs/dbraw/zinc/82/72/48/1040827248.db2.gz BGWDQEAJLAKSLV-IBGZPJMESA-N 1 0 357.454 2.929 20 5 FFBDRO CCOC[C@H]1C[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)Cc2cn(CC)nc21 ZINC001254597140 1040827948 /nfs/dbraw/zinc/82/79/48/1040827948.db2.gz UTUUDVGPXOABHV-IEBWSBKVSA-N 1 0 370.453 2.914 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CCCN(Cc3ccncc3)CC1)C2 ZINC001254599744 1040829563 /nfs/dbraw/zinc/82/95/63/1040829563.db2.gz PRZNPGZAKOKYFZ-HXUWFJFHSA-N 1 0 352.438 2.665 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H](n1cc3c(cccc3N3CC[NH2+]CC3)n1)C2 ZINC001254603473 1040832256 /nfs/dbraw/zinc/83/22/56/1040832256.db2.gz NNWJIDUFHGYPCK-KRWDZBQOSA-N 1 0 363.421 2.694 20 5 FFBDRO CC(C)(C)OC(=O)NCC1(C)C[NH+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254610987 1040838896 /nfs/dbraw/zinc/83/88/96/1040838896.db2.gz NEHTVSJHINMLGW-MRXNPFEDSA-N 1 0 361.442 2.909 20 5 FFBDRO COC1CC[NH+](C2CCN([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC2)CC1 ZINC001254612632 1040842029 /nfs/dbraw/zinc/84/20/29/1040842029.db2.gz XCIKBHSLGSQCEP-LJQANCHMSA-N 1 0 359.470 2.637 20 5 FFBDRO Cn1c2ccccc2c(N2C[C@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)c([N+](=O)[O-])c1=O ZINC001262377545 1041665800 /nfs/dbraw/zinc/66/58/00/1041665800.db2.gz YINFRMYTFFISSL-RBSFLKMASA-N 1 0 370.453 2.613 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@H]2C[N@H+](Cc3cc4c(cc3[N+](=O)[O-])OCCO4)C[C@@H]2C1 ZINC001262379324 1041666615 /nfs/dbraw/zinc/66/66/15/1041666615.db2.gz XKKICSZPKPPPRS-OFQRWUPVSA-N 1 0 361.442 2.528 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@H](O)c2ccc(C(F)(F)F)cc2)cc1 ZINC001262596062 1041743821 /nfs/dbraw/zinc/74/38/21/1041743821.db2.gz QSLRMMPXFCBLNJ-HOTGVXAUSA-N 1 0 370.327 2.970 20 5 FFBDRO Cc1ccc([C@@H](C)NC(=O)c2ccc3c(c2)OCC[NH2+]C3)cc1[N+](=O)[O-] ZINC001263091293 1042097025 /nfs/dbraw/zinc/09/70/25/1042097025.db2.gz JQROSNQVWTVIAS-CYBMUJFWSA-N 1 0 355.394 2.876 20 5 FFBDRO COc1cc(-c2nc(-c3ccc4c(n3)CC[NH2+]C4)no2)c([N+](=O)[O-])cc1F ZINC001216721941 1042104852 /nfs/dbraw/zinc/10/48/52/1042104852.db2.gz WIFCCSWIYKMRRP-UHFFFAOYSA-N 1 0 371.328 2.500 20 5 FFBDRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC001263151075 1042134049 /nfs/dbraw/zinc/13/40/49/1042134049.db2.gz RIYLSHMZHPNORW-XXQMMXQMSA-N 1 0 373.453 2.586 20 5 FFBDRO Cc1c(C(=O)OCCN(C)c2ccc([N+](=O)[O-])cc2)ccc2c[nH+]cn21 ZINC001263292495 1042225383 /nfs/dbraw/zinc/22/53/83/1042225383.db2.gz IBMWTYBUFOOVSL-UHFFFAOYSA-N 1 0 354.366 2.844 20 5 FFBDRO CC[N@@H+]1CCN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[C@@H](C)C1 ZINC001312638189 1044148027 /nfs/dbraw/zinc/14/80/27/1044148027.db2.gz PUNPQYZDONMPCJ-NSHDSACASA-N 1 0 374.363 2.849 20 5 FFBDRO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC001318648762 1044788497 /nfs/dbraw/zinc/78/84/97/1044788497.db2.gz LPDOWGDJCJGRSX-ZIAGYGMSSA-N 1 0 370.247 2.960 20 5 FFBDRO C[C@@H](C[NH+]1CCC(C)CC1)c1nnc(C(C)(C)n2cc([N+](=O)[O-])cn2)o1 ZINC001322296429 1046033515 /nfs/dbraw/zinc/03/35/15/1046033515.db2.gz ZSBCVMAMOXNYSD-ZDUSSCGKSA-N 1 0 362.434 2.793 20 5 FFBDRO Cn1ccnc1C(=O)c1ccc(N[C@@H]2CCCC[C@@H]2[NH+](C)C)c([N+](=O)[O-])c1 ZINC001322680136 1046177421 /nfs/dbraw/zinc/17/74/21/1046177421.db2.gz FKSWBGSVHJCWAV-ZBFHGGJFSA-N 1 0 371.441 2.844 20 5 FFBDRO Cc1cc(F)cc(C(=O)N2C[C@]34C[N@@H+](C)C[C@@]3(C2)CCCC4)c1[N+](=O)[O-] ZINC001540113714 1070767645 /nfs/dbraw/zinc/76/76/45/1070767645.db2.gz UFNYYIWKCAHRKX-KDURUIRLSA-N 1 0 361.417 2.990 20 5 FFBDRO C[C@H](COc1ccccc1F)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC001326585301 1046989777 /nfs/dbraw/zinc/98/97/77/1046989777.db2.gz YIHADFZZYHAOHG-ZIAGYGMSSA-N 1 0 364.373 2.531 20 5 FFBDRO C[C@@H](COc1ccccc1F)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC001326585300 1046990007 /nfs/dbraw/zinc/99/00/07/1046990007.db2.gz YIHADFZZYHAOHG-UONOGXRCSA-N 1 0 364.373 2.531 20 5 FFBDRO C[NH+]1CCC([C@H]2CCN(C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)C2)CC1 ZINC001331302806 1047851805 /nfs/dbraw/zinc/85/18/05/1047851805.db2.gz IVNGTUASWKFXLI-ZDUSSCGKSA-N 1 0 350.394 2.930 20 5 FFBDRO O=C(COc1ccc([N+](=O)[O-])c2cccnc12)NCCC[NH+]1CCCCC1 ZINC001290270381 1047967710 /nfs/dbraw/zinc/96/77/10/1047967710.db2.gz XWSDVOMGPIMNJU-UHFFFAOYSA-N 1 0 372.425 2.514 20 5 FFBDRO O=[N+]([O-])c1ccccc1NCCc1noc(-c2ccc3c(c2)C[NH2+]CC3)n1 ZINC001332002722 1048204486 /nfs/dbraw/zinc/20/44/86/1048204486.db2.gz LRHOBBHITLOBMZ-UHFFFAOYSA-N 1 0 365.393 2.945 20 5 FFBDRO O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001540836703 1071013084 /nfs/dbraw/zinc/01/30/84/1071013084.db2.gz GTGURESEGWZUSN-SFHVURJKSA-N 1 0 360.458 2.920 20 5 FFBDRO O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001540836702 1071015183 /nfs/dbraw/zinc/01/51/83/1071015183.db2.gz GTGURESEGWZUSN-GOSISDBHSA-N 1 0 360.458 2.920 20 5 FFBDRO Cc1cc(F)cc(C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)c1[N+](=O)[O-] ZINC001329652870 1048833206 /nfs/dbraw/zinc/83/32/06/1048833206.db2.gz NLSFRXKVWVMQRP-UHFFFAOYSA-N 1 0 361.377 2.758 20 5 FFBDRO CCCCCC[C@](O)(CN1Cc2ccc([N+](=O)[O-])cc2C1)C(=O)OC ZINC001329878227 1048946482 /nfs/dbraw/zinc/94/64/82/1048946482.db2.gz OMINVOIKHYUDAL-SFHVURJKSA-N 1 0 350.415 2.785 20 5 FFBDRO O=C(Nc1ccc([N+](=O)[O-])c2ccncc12)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001329985907 1048993053 /nfs/dbraw/zinc/99/30/53/1048993053.db2.gz QSPBKULENHWZAL-CYBMUJFWSA-N 1 0 355.398 2.845 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)ccc1CNC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001333680208 1049050426 /nfs/dbraw/zinc/05/04/26/1049050426.db2.gz NDXYMZZMPGJMQL-INIZCTEOSA-N 1 0 353.850 2.981 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)c2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])[C@@H](C)C1 ZINC001333706602 1049067919 /nfs/dbraw/zinc/06/79/19/1049067919.db2.gz KAQGKDNDLBUIAW-DZGCQCFKSA-N 1 0 358.442 2.613 20 5 FFBDRO CNC(=O)c1ccc(N2CC[NH+]([C@H](C)c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC001307199045 1049980722 /nfs/dbraw/zinc/98/07/22/1049980722.db2.gz XZRIKORMQJYZJY-OAHLLOKOSA-N 1 0 368.437 2.838 20 5 FFBDRO CS[C@@H]1CN(C(=O)CCc2c(Cl)cccc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC001295851284 1049991484 /nfs/dbraw/zinc/99/14/84/1049991484.db2.gz FCWQFHDVSGCQFE-LSDHHAIUSA-N 1 0 371.890 2.685 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC001341709272 1050328701 /nfs/dbraw/zinc/32/87/01/1050328701.db2.gz KURGRWGFTWTCEY-NWDGAFQWSA-N 1 0 359.348 2.872 20 5 FFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCCC[C@]12CCC[NH2+]C2 ZINC001342237371 1050828753 /nfs/dbraw/zinc/82/87/53/1050828753.db2.gz JIULDHJXDDBGEZ-QGZVFWFLSA-N 1 0 351.834 2.925 20 5 FFBDRO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC001301878150 1051008841 /nfs/dbraw/zinc/00/88/41/1051008841.db2.gz BMAFVEBQPORVRG-PBHICJAKSA-N 1 0 368.437 2.817 20 5 FFBDRO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC001301878153 1051009580 /nfs/dbraw/zinc/00/95/80/1051009580.db2.gz BMAFVEBQPORVRG-YOEHRIQHSA-N 1 0 368.437 2.817 20 5 FFBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001302177680 1051053615 /nfs/dbraw/zinc/05/36/15/1051053615.db2.gz HTVCKZNXUCUZOZ-YFWYWMRJSA-N 1 0 351.406 2.651 20 5 FFBDRO O=C(NC1CCN(c2cc[nH+]cc2)CC1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001342498182 1051101032 /nfs/dbraw/zinc/10/10/32/1051101032.db2.gz ZPRRNDHRNBJLRN-UHFFFAOYSA-N 1 0 367.409 2.684 20 5 FFBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC001340941509 1051272676 /nfs/dbraw/zinc/27/26/76/1051272676.db2.gz WYBHNBIWJKVTCH-GZMMTYOYSA-N 1 0 363.361 2.526 20 5 FFBDRO [NH3+]CC1(c2ccccc2)CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001342832296 1051440595 /nfs/dbraw/zinc/44/05/95/1051440595.db2.gz OKDVXVCQFGBXSQ-UHFFFAOYSA-N 1 0 353.422 2.656 20 5 FFBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC001341134679 1051484548 /nfs/dbraw/zinc/48/45/48/1051484548.db2.gz BATMULOQWKTNOJ-HNNXBMFYSA-N 1 0 361.442 2.602 20 5 FFBDRO CC(C)Cn1c([C@H](C)[N+](=O)[O-])nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001342992931 1051609020 /nfs/dbraw/zinc/60/90/20/1051609020.db2.gz JGLBWKSEIQCVKD-HOTGVXAUSA-N 1 0 364.494 2.584 20 5 FFBDRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC001343003610 1051620112 /nfs/dbraw/zinc/62/01/12/1051620112.db2.gz XPZIXRHBRPDCEL-QZTJIDSGSA-N 1 0 360.458 2.796 20 5 FFBDRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC001343003612 1051620394 /nfs/dbraw/zinc/62/03/94/1051620394.db2.gz XPZIXRHBRPDCEL-ROUUACIJSA-N 1 0 360.458 2.796 20 5 FFBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CC[C@@H](CC[NH3+])C2)CC1 ZINC001344998961 1052189018 /nfs/dbraw/zinc/18/90/18/1052189018.db2.gz KWHLHDBRCLFSOK-OAHLLOKOSA-N 1 0 360.458 2.642 20 5 FFBDRO CC(C)[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1cnn(Cc2ccccc2)c1 ZINC001307609389 1052326716 /nfs/dbraw/zinc/32/67/16/1052326716.db2.gz XRVKONJBHRHMIE-UHFFFAOYSA-N 1 0 368.441 2.947 20 5 FFBDRO CN1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](c2ccccc2)C1 ZINC001307655708 1052331525 /nfs/dbraw/zinc/33/15/25/1052331525.db2.gz LPTHWEOKCSMPKD-IBGZPJMESA-N 1 0 368.437 2.912 20 5 FFBDRO CN1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](c2ccccc2)C1 ZINC001307655710 1052332033 /nfs/dbraw/zinc/33/20/33/1052332033.db2.gz LPTHWEOKCSMPKD-LJQANCHMSA-N 1 0 368.437 2.912 20 5 FFBDRO CCC(C)(C)CC[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC001307851177 1052356966 /nfs/dbraw/zinc/35/69/66/1052356966.db2.gz LTWYDGNEFHPHKV-UHFFFAOYSA-N 1 0 357.476 2.631 20 5 FFBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCOc3ccccc3[C@H]2CO)cc1 ZINC001308105252 1052407322 /nfs/dbraw/zinc/40/73/22/1052407322.db2.gz JDXVTFZTUKAAPV-GOSISDBHSA-N 1 0 358.394 2.792 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H](Cc1ccc(F)cc1)C(N)=O ZINC001308357257 1052449842 /nfs/dbraw/zinc/44/98/42/1052449842.db2.gz SHKWSFSTNNTSIO-OAHLLOKOSA-N 1 0 359.401 2.785 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)c3cc(Cl)c(N)c([N+](=O)[O-])c3)C[C@H]2C1 ZINC001334848988 1053114016 /nfs/dbraw/zinc/11/40/16/1053114016.db2.gz KAMPSZFBCXTZRM-CYZMBNFOSA-N 1 0 366.849 2.633 20 5 FFBDRO COc1cc(C(=O)N2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)c([N+](=O)[O-])cc1F ZINC001335225972 1053263918 /nfs/dbraw/zinc/26/39/18/1053263918.db2.gz GCEMDPKQQFWNGI-YNEHKIRRSA-N 1 0 365.405 2.545 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)C[C@H]2C1 ZINC001335343933 1053306025 /nfs/dbraw/zinc/30/60/25/1053306025.db2.gz ZNKBAKDYBCRNDA-MGPQQGTHSA-N 1 0 356.426 2.878 20 5 FFBDRO Cc1nnc(N(C)CCc2cccc([N+](=O)[O-])c2)n1CC[N@@H+](C)C(C)C ZINC001543163310 1071399656 /nfs/dbraw/zinc/39/96/56/1071399656.db2.gz RNQLEXYVIZCZRW-UHFFFAOYSA-N 1 0 360.462 2.514 20 5 FFBDRO CC[C@@](O)(CCC(F)(F)F)C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001336061235 1053739938 /nfs/dbraw/zinc/73/99/38/1053739938.db2.gz QGKWPQXJSWXTFE-UONOGXRCSA-N 1 0 350.337 2.701 20 5 FFBDRO C[C@@H](CNC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N)C[NH+]1CCCC1 ZINC001543253819 1071428909 /nfs/dbraw/zinc/42/89/09/1071428909.db2.gz YTCFLGHSTYNVSF-ZDUSSCGKSA-N 1 0 356.426 2.792 20 5 FFBDRO CC[NH+](CC)CC[C@H](NC(=O)c1c([N+](=O)[O-])cnn1C)c1ccccc1 ZINC001347647688 1054190886 /nfs/dbraw/zinc/19/08/86/1054190886.db2.gz WWFJYLGIBFTBEO-HNNXBMFYSA-N 1 0 359.430 2.531 20 5 FFBDRO CC[C@](O)(CCC(F)(F)F)C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001336855477 1054289549 /nfs/dbraw/zinc/28/95/49/1054289549.db2.gz VQMFEBACQNGTQH-KGLIPLIRSA-N 1 0 350.337 2.701 20 5 FFBDRO C[NH2+]CCN(C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C(C)C ZINC001336868187 1054300785 /nfs/dbraw/zinc/30/07/85/1054300785.db2.gz SCXCYBDERYSWSU-UHFFFAOYSA-N 1 0 362.352 2.753 20 5 FFBDRO COc1cccc([C@H]2C[NH2+]CCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2)c1 ZINC001337035340 1054427925 /nfs/dbraw/zinc/42/79/25/1054427925.db2.gz SNGUEMLBQQWYAX-QGZVFWFLSA-N 1 0 359.357 2.529 20 5 FFBDRO CN(C(=O)CN1CCC[C@](O)(c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC001348233359 1054561564 /nfs/dbraw/zinc/56/15/64/1054561564.db2.gz BPEKOZWDQIDOEN-HXUWFJFHSA-N 1 0 369.421 2.541 20 5 FFBDRO O=[N+]([O-])CC[NH2+][C@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC001356031946 1055231483 /nfs/dbraw/zinc/23/14/83/1055231483.db2.gz GCOONFZQGIBEBT-OAHLLOKOSA-N 1 0 350.216 2.994 20 5 FFBDRO CN(C)c1cc(F)c(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000847254991 1055322421 /nfs/dbraw/zinc/32/24/21/1055322421.db2.gz IGNYBJMAUCTYED-HUUCEWRRSA-N 1 0 364.421 2.547 20 5 FFBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)/C=C/c3ccco3)c2)CC1 ZINC001349895852 1055527359 /nfs/dbraw/zinc/52/73/59/1055527359.db2.gz GQRROYSEJUFBIP-FNORWQNLSA-N 1 0 356.382 2.592 20 5 FFBDRO Cc1cc(NC(=O)N(CC[NH+](C)C)Cc2ccccn2)cc([N+](=O)[O-])c1 ZINC001350262683 1055699121 /nfs/dbraw/zinc/69/91/21/1055699121.db2.gz RFBBCZQAHYLRDZ-UHFFFAOYSA-N 1 0 357.414 2.894 20 5 FFBDRO COc1ccc(NC(=O)N2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)cc1[N+](=O)[O-] ZINC001352777925 1055785334 /nfs/dbraw/zinc/78/53/34/1055785334.db2.gz WGHPEUMTSJEEFM-KCQAQPDRSA-N 1 0 362.430 2.797 20 5 FFBDRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000847445704 1055791689 /nfs/dbraw/zinc/79/16/89/1055791689.db2.gz DMJNCSPGKWHZEB-SJLPKXTDSA-N 1 0 358.442 2.679 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N2CCc3c2ccc([N+](=O)[O-])c3F)C1 ZINC001544010821 1071580588 /nfs/dbraw/zinc/58/05/88/1071580588.db2.gz HLVZSDSPBPMVKX-KRWDZBQOSA-N 1 0 353.369 2.836 20 5 FFBDRO C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC001338826425 1055850874 /nfs/dbraw/zinc/85/08/74/1055850874.db2.gz XOVFUJMEBCLNIR-OLZOCXBDSA-N 1 0 370.247 2.960 20 5 FFBDRO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC001357629263 1055967863 /nfs/dbraw/zinc/96/78/63/1055967863.db2.gz HLJIBCJSXWMLEQ-FGTMMUONSA-N 1 0 357.454 2.935 20 5 FFBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1C[C@@H]2CCC[N@@H+]2Cc2ccccc21 ZINC001357702159 1055988258 /nfs/dbraw/zinc/98/82/58/1055988258.db2.gz RQHKDABPVJOJEV-KRWDZBQOSA-N 1 0 367.405 2.985 20 5 FFBDRO O=C(Nc1ccc(Nc2cc[nH+]cc2)cc1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001300214220 1056134905 /nfs/dbraw/zinc/13/49/05/1056134905.db2.gz JIZOZRGLDMTSOL-GOSISDBHSA-N 1 0 364.361 2.827 20 5 FFBDRO CC(C)(C)[NH+]1CCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC001339171614 1056164125 /nfs/dbraw/zinc/16/41/25/1056164125.db2.gz ADAVXJODMDGWIO-UHFFFAOYSA-N 1 0 369.849 2.960 20 5 FFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H](Cc1ccccc1)[NH2+]C ZINC001358171383 1056173483 /nfs/dbraw/zinc/17/34/83/1056173483.db2.gz UMGNJFFBOSAHFA-OAHLLOKOSA-N 1 0 357.410 2.554 20 5 FFBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)Cc3cccc(F)c3)c2)CC1 ZINC001339185645 1056179958 /nfs/dbraw/zinc/17/99/58/1056179958.db2.gz WCPOIQPZOVCCTG-UHFFFAOYSA-N 1 0 372.400 2.667 20 5 FFBDRO CN1CCC([N@@H+]2CC[C@@H](Nc3ncc([N+](=O)[O-])c4ccccc43)C2)CC1 ZINC001353245320 1056224250 /nfs/dbraw/zinc/22/42/50/1056224250.db2.gz LBTHZCOGCUYLSZ-CQSZACIVSA-N 1 0 355.442 2.723 20 5 FFBDRO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CCc3c(Cl)cccc3[N+](=O)[O-])[C@H]2C1 ZINC001339317273 1056324213 /nfs/dbraw/zinc/32/42/13/1056324213.db2.gz MFLUBWLKUGMFDL-CORIIIEPSA-N 1 0 351.834 2.637 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC001544296745 1071624063 /nfs/dbraw/zinc/62/40/63/1071624063.db2.gz FWSPIJRISFMBLC-QGZVFWFLSA-N 1 0 368.437 2.940 20 5 FFBDRO C[C@H]1C[NH+](C(C)(C)CNc2ncnc3ccc([N+](=O)[O-])cc32)C[C@H](C)O1 ZINC000611701462 1056447739 /nfs/dbraw/zinc/44/77/39/1056447739.db2.gz JKGRFZTUWAXODS-STQMWFEESA-N 1 0 359.430 2.838 20 5 FFBDRO COc1ccc(NC(=[NH2+])NCCOc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000849100336 1056761062 /nfs/dbraw/zinc/76/10/62/1056761062.db2.gz OKUUUTDNPFUFOI-UHFFFAOYSA-N 1 0 360.370 2.627 20 5 FFBDRO CC[N@H+]1[C@H](C)CN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC001452585054 1059253615 /nfs/dbraw/zinc/25/36/15/1059253615.db2.gz XWHODHRUQUIVNJ-BETUJISGSA-N 1 0 369.849 2.958 20 5 FFBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)CCc3cccs3)c2)CC1 ZINC001355080091 1059868472 /nfs/dbraw/zinc/86/84/72/1059868472.db2.gz FVCMWTYCCMMXHD-UHFFFAOYSA-N 1 0 374.466 2.979 20 5 FFBDRO O=C1[C@H](c2ccc([N+](=O)[O-])cc2)CCN1C[N@@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000848481639 1060118927 /nfs/dbraw/zinc/11/89/27/1060118927.db2.gz BBVNPTUNUFXBNZ-LMMKCTJWSA-N 1 0 373.453 2.617 20 5 FFBDRO CCOC1CC2(C1)CC[N@H+](CN1CC[C@@H](c3ccc([N+](=O)[O-])cc3)C1=O)C2 ZINC000848486930 1060133977 /nfs/dbraw/zinc/13/39/77/1060133977.db2.gz NVYTXDKDECWDPL-FDYSRKEFSA-N 1 0 373.453 2.759 20 5 FFBDRO COc1cc(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C(C)C)ccc1[N+](=O)[O-] ZINC001457084935 1060270110 /nfs/dbraw/zinc/27/01/10/1060270110.db2.gz FRSFPADBBFLJDN-WBVHZDCISA-N 1 0 361.442 2.938 20 5 FFBDRO O=C(NC1CCN(c2cc[nH+]cc2)CC1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC001457180869 1060299106 /nfs/dbraw/zinc/29/91/06/1060299106.db2.gz RVROXKSQYJTXJT-UHFFFAOYSA-N 1 0 365.393 2.870 20 5 FFBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)C(F)(F)Oc3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000848585180 1060313427 /nfs/dbraw/zinc/31/34/27/1060313427.db2.gz MVHKJARKJBATEW-SWLSCSKDSA-N 1 0 369.368 2.509 20 5 FFBDRO CC(C)Oc1nc(Nc2cnn(C3CC[NH+](C)CC3)c2)ccc1[N+](=O)[O-] ZINC000601227530 1060759807 /nfs/dbraw/zinc/75/98/07/1060759807.db2.gz UICWBTONKIJGQI-UHFFFAOYSA-N 1 0 360.418 2.984 20 5 FFBDRO COC(=O)[C@H](Cc1ccccc1)[C@H](C)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC001460093945 1060895255 /nfs/dbraw/zinc/89/52/55/1060895255.db2.gz JHPWDQVEKBWPJG-HNAYVOBHSA-N 1 0 372.421 2.984 20 5 FFBDRO C[C@H]([N@H+](C)Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C(C)(C)O ZINC001460127268 1060901888 /nfs/dbraw/zinc/90/18/88/1060901888.db2.gz VFVSNOYOSNZORR-VIFPVBQESA-N 1 0 354.794 2.889 20 5 FFBDRO COCC[C@H](C[NH2+]CCc1cccc([N+](=O)[O-])c1)NC(=O)OC(C)(C)C ZINC001461410418 1061311361 /nfs/dbraw/zinc/31/13/61/1061311361.db2.gz KVLMQQZCCPCJNA-OAHLLOKOSA-N 1 0 367.446 2.657 20 5 FFBDRO CC[C@H](C)[C@H](C)NC(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001477130415 1061594826 /nfs/dbraw/zinc/59/48/26/1061594826.db2.gz NRBJXSSTOMXGGE-KBPBESRZSA-N 1 0 363.462 2.903 20 5 FFBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)N[C@H]3C=CCCC3)c2)CC1 ZINC001477130992 1061595160 /nfs/dbraw/zinc/59/51/60/1061595160.db2.gz ZAEPJOSLUXNFQA-AWEZNQCLSA-N 1 0 359.430 2.577 20 5 FFBDRO O=C(N[C@H]1c2ccccc2CC[C@@H]1[NH+]1CCCC1)c1ccc([N+](=O)[O-])cn1 ZINC001437024620 1062807168 /nfs/dbraw/zinc/80/71/68/1062807168.db2.gz ZNRZIOHZEBXJOE-OALUTQOASA-N 1 0 366.421 2.872 20 5 FFBDRO CC[N@@H+]1CC[C@H]1CNC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001438843571 1063052403 /nfs/dbraw/zinc/05/24/03/1063052403.db2.gz RULPCWZTZGOARV-LBPRGKRZSA-N 1 0 374.363 2.626 20 5 FFBDRO C[C@@H](C(=O)NCc1cccc2c1CC[NH2+]C2)c1ccc([N+](=O)[O-])cc1F ZINC001575070328 1078102259 /nfs/dbraw/zinc/10/22/59/1078102259.db2.gz XYEUOGCQWRIALW-GFCCVEGCSA-N 1 0 357.385 2.800 20 5 FFBDRO CC(C)[C@H]([NH3+])Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H]2CCC[C@H]21 ZINC001575458234 1078142666 /nfs/dbraw/zinc/14/26/66/1078142666.db2.gz CWRPFTILWFVOOD-DJIMGWMZSA-N 1 0 370.457 2.825 20 5 FFBDRO CC(C)[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001472330770 1065019234 /nfs/dbraw/zinc/01/92/34/1065019234.db2.gz KTRNDBIGKIBJNZ-IAGOWNOFSA-N 1 0 363.433 2.998 20 5 FFBDRO CN(CCN1CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cc1[N+](=O)[O-] ZINC001472780733 1065143640 /nfs/dbraw/zinc/14/36/40/1065143640.db2.gz PGNIGFBOFMPJGH-UHFFFAOYSA-N 1 0 372.444 2.988 20 5 FFBDRO COc1cccc(C[C@@H]2CN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC[NH2+]2)c1 ZINC001472906466 1065172734 /nfs/dbraw/zinc/17/27/34/1065172734.db2.gz LWBCPONQUBFVGP-CQSZACIVSA-N 1 0 367.409 2.501 20 5 FFBDRO Cn1cc(CN2C[C@]3(C)C[N@H+](Cc4ccccc4)C[C@]3(C)C2)c([N+](=O)[O-])n1 ZINC001473718103 1065330252 /nfs/dbraw/zinc/33/02/52/1065330252.db2.gz FCISOGRZAFEJFH-BGYRXZFFSA-N 1 0 369.469 2.672 20 5 FFBDRO C[C@]([NH3+])(C(=O)NCCC1Cc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC001576081106 1078194089 /nfs/dbraw/zinc/19/40/89/1078194089.db2.gz IGXIDFSXWWBSLT-HXUWFJFHSA-N 1 0 353.422 2.690 20 5 FFBDRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)c1cccc([N+](=O)[O-])c1Br ZINC001576118116 1078197419 /nfs/dbraw/zinc/19/74/19/1078197419.db2.gz XNKGIHIKDJMJEV-MWLCHTKSSA-N 1 0 356.220 2.699 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(C[NH2+][C@H](CO)[C@H]2CCOC2)o1 ZINC001474094919 1065455128 /nfs/dbraw/zinc/45/51/28/1065455128.db2.gz ZZUFOIFFZQMMCB-XHDPSFHLSA-N 1 0 366.801 2.995 20 5 FFBDRO C[N@@H+]1C[C@@H]2CC[C@@H](NCc3c(Br)cccc3[N+](=O)[O-])[C@@H]2C1 ZINC001474303327 1065489638 /nfs/dbraw/zinc/48/96/38/1065489638.db2.gz XNAXUKMPBYDCHP-ZKYQVNSYSA-N 1 0 354.248 2.787 20 5 FFBDRO C[N@@H+]1C[C@@H]2CC[C@H](NCc3c(Br)cccc3[N+](=O)[O-])[C@@H]2C1 ZINC001474303325 1065490118 /nfs/dbraw/zinc/49/01/18/1065490118.db2.gz XNAXUKMPBYDCHP-SUHUHFCYSA-N 1 0 354.248 2.787 20 5 FFBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H](CO)Cc2ccc(F)c(F)c2)cc1 ZINC001474487428 1065535466 /nfs/dbraw/zinc/53/54/66/1065535466.db2.gz ONNJKNLTZLQJCO-HNNXBMFYSA-N 1 0 350.365 2.856 20 5 FFBDRO CC[C@@H]([NH3+])Cn1c(C(C)C)nnc1N(C)CCc1cccc([N+](=O)[O-])c1 ZINC001577133629 1078307969 /nfs/dbraw/zinc/30/79/69/1078307969.db2.gz ASOOHRAAVJRDKY-OAHLLOKOSA-N 1 0 360.462 2.726 20 5 FFBDRO CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)C1CC[NH2+]CC1 ZINC001577477849 1078366074 /nfs/dbraw/zinc/36/60/74/1078366074.db2.gz CFGANUCYWQMVQK-UHFFFAOYSA-N 1 0 358.446 2.842 20 5 FFBDRO CCCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CC2(CC2)C[NH2+]1 ZINC001577500309 1078368703 /nfs/dbraw/zinc/36/87/03/1078368703.db2.gz XWBKCBDAMLVQTK-OAHLLOKOSA-N 1 0 370.457 2.842 20 5 FFBDRO CC[NH2+]CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](C)[C@@H](C)C1 ZINC001577858521 1078408761 /nfs/dbraw/zinc/40/87/61/1078408761.db2.gz XSWVEWZPUHPVGJ-GJZGRUSLSA-N 1 0 372.473 2.945 20 5 FFBDRO C[NH2+]C[C@@H]1CCCCN1C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC001578730432 1078524101 /nfs/dbraw/zinc/52/41/01/1078524101.db2.gz DSTWANRDTDMJDD-LBPRGKRZSA-N 1 0 357.863 2.941 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NCC[C@H]([NH3+])Cc1ccccc1 ZINC001579178778 1078581684 /nfs/dbraw/zinc/58/16/84/1078581684.db2.gz DKBXFUIKTMHVIH-AWEZNQCLSA-N 1 0 358.398 2.685 20 5 FFBDRO CSc1cccc(C(=O)NCc2cccc3c2CC[NH2+]C3)c1[N+](=O)[O-] ZINC001579393442 1078625575 /nfs/dbraw/zinc/62/55/75/1078625575.db2.gz VCIJJJWEZZBJCW-UHFFFAOYSA-N 1 0 357.435 2.892 20 5 FFBDRO Cc1cccc(C)c1OCCNC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC001579755405 1078676191 /nfs/dbraw/zinc/67/61/91/1078676191.db2.gz XQNBIIWIKDVZER-IBGZPJMESA-N 1 0 357.410 2.581 20 5 FFBDRO [NH3+]C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2CCCC2)CC1 ZINC001580189523 1078762020 /nfs/dbraw/zinc/76/20/20/1078762020.db2.gz MYNIFDLWNRKAAO-UHFFFAOYSA-N 1 0 370.457 2.971 20 5 FFBDRO O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CC2(C1)CC[NH2+]CC2 ZINC001580833548 1078875783 /nfs/dbraw/zinc/87/57/83/1078875783.db2.gz OQUJRYPMTDLPIX-UHFFFAOYSA-N 1 0 358.423 2.544 20 5 FFBDRO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc21)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001580810170 1078868606 /nfs/dbraw/zinc/86/86/06/1078868606.db2.gz KKWIQKGDNCSOPG-KBPBESRZSA-N 1 0 356.426 2.928 20 5 FFBDRO O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CC[NH2+]CCC12CCC2 ZINC001580815975 1078871494 /nfs/dbraw/zinc/87/14/94/1078871494.db2.gz PNYADDNWNIKHRT-UHFFFAOYSA-N 1 0 355.341 2.554 20 5 FFBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)CCc3ccccc3)c2)CC1 ZINC001585333441 1079453398 /nfs/dbraw/zinc/45/33/98/1079453398.db2.gz HGIFMKZSMVMYDF-UHFFFAOYSA-N 1 0 368.437 2.918 20 5 FFBDRO COc1ccccc1[C@H](CNc1c([N+](=O)[O-])cnn1C)[NH+]1CCCCC1 ZINC001559075610 1076123177 /nfs/dbraw/zinc/12/31/77/1076123177.db2.gz OFUYTVQVLLRGOF-HNNXBMFYSA-N 1 0 359.430 2.976 20 5 FFBDRO CCc1cc(N2CC[C@@H]3C[N@H+](C)C[C@H]32)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001559199999 1076134224 /nfs/dbraw/zinc/13/42/24/1076134224.db2.gz JGYRDIFVZMNFSN-RHSMWYFYSA-N 1 0 353.426 2.755 20 5 FFBDRO CC[C@H]1CCC[C@H]([NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001560316697 1076263304 /nfs/dbraw/zinc/26/33/04/1076263304.db2.gz HRTPWFUUUCYAPX-GJZGRUSLSA-N 1 0 369.487 2.822 20 5 FFBDRO CC[NH+](CC)CCCCNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC001566203009 1076933445 /nfs/dbraw/zinc/93/34/45/1076933445.db2.gz GZSJKDUUGZLXNL-UHFFFAOYSA-N 1 0 360.817 2.821 20 5 FFBDRO CC(C)[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ccc(Cl)cc1F ZINC001567641675 1077040328 /nfs/dbraw/zinc/04/03/28/1077040328.db2.gz OTCLXOIKRBBAJI-GDBMZVCRSA-N 1 0 371.840 2.861 20 5 FFBDRO C[NH+](C)[C@H]1C[C@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C12CCC2 ZINC001585891969 1079510209 /nfs/dbraw/zinc/51/02/09/1079510209.db2.gz RRHCARBYKSJLJA-IRXDYDNUSA-N 1 0 358.442 2.772 20 5 FFBDRO C[C@@H]([NH2+]Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001589966100 1080908970 /nfs/dbraw/zinc/90/89/70/1080908970.db2.gz WCIHVRDVLDTZCS-SNVBAGLBSA-N 1 0 369.341 2.534 20 5 FFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)C[C@@H](O)c1cccc(-c2nn[nH]n2)c1 ZINC001590050736 1080979949 /nfs/dbraw/zinc/97/99/49/1080979949.db2.gz OMVDNBFKSNMSAH-SJKOYZFVSA-N 1 0 368.397 2.501 20 5 FFBDRO CC1(C)[C@H](C(F)(F)F)CC[N@@H+]1Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001590075516 1080991351 /nfs/dbraw/zinc/99/13/51/1080991351.db2.gz FVLNMOACUZUYKS-GFCCVEGCSA-N 1 0 370.335 2.938 20 5 FFBDRO C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001590164679 1081063370 /nfs/dbraw/zinc/06/33/70/1081063370.db2.gz GSTNLWMTUYNFGI-KWQFWETISA-N 1 0 356.308 2.548 20 5 FFBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC001590188082 1081078112 /nfs/dbraw/zinc/07/81/12/1081078112.db2.gz PRDVKQCJBVROLQ-XQQFMLRXSA-N 1 0 359.434 2.553 20 5 FFBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC001590187834 1081078442 /nfs/dbraw/zinc/07/84/42/1081078442.db2.gz NXFKVPCKFCDPGJ-BETUJISGSA-N 1 0 359.434 2.555 20 5 FFBDRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC001620623682 1126241165 /nfs/dbraw/zinc/24/11/65/1126241165.db2.gz DUJCXTCIJOBJGO-LJQANCHMSA-N 1 0 370.409 2.563 20 5 FFBDRO Cc1noc(C)c1CO[C@@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000368867768 512110477 /nfs/dbraw/zinc/11/04/77/512110477.db2.gz JWXPNZHHGRZFPS-QGZVFWFLSA-N 1 0 361.398 2.870 20 5 FFBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[NH+](C(C)C)C(C)C ZINC000058500568 205276545 /nfs/dbraw/zinc/27/65/45/205276545.db2.gz ZINLIUBRKVDWRR-UHFFFAOYSA-N 1 0 357.476 2.554 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)NCC[NH+]2CCC(C)CC2)cc1SC ZINC000103069931 250132771 /nfs/dbraw/zinc/13/27/71/250132771.db2.gz HLGGGHOTYQTXLQ-UHFFFAOYSA-N 1 0 367.471 2.787 20 5 FFBDRO C[NH+]1CCC(Nc2ccccc2NC(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000103251625 250141539 /nfs/dbraw/zinc/14/15/39/250141539.db2.gz RYMBNKUQPRWGAH-UHFFFAOYSA-N 1 0 369.425 2.935 20 5 FFBDRO CCC(=O)N1CCC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000104675606 250181565 /nfs/dbraw/zinc/18/15/65/250181565.db2.gz RYIZVCZKOVBDRQ-UHFFFAOYSA-N 1 0 372.425 2.737 20 5 FFBDRO C[NH+](C)CCN(C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)c1ccccc1 ZINC000181146749 251248242 /nfs/dbraw/zinc/24/82/42/251248242.db2.gz KJSZTTOUXNLUJT-UHFFFAOYSA-N 1 0 357.366 2.532 20 5 FFBDRO COc1cc(C[NH2+]C[C@H]2CCCC[C@@H]2O)c([N+](=O)[O-])cc1OCC(F)F ZINC000272349033 252017243 /nfs/dbraw/zinc/01/72/43/252017243.db2.gz CWZYYSMEFVBTRP-RISCZKNCSA-N 1 0 374.384 2.888 20 5 FFBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)[C@H]2C1 ZINC000272496047 252052831 /nfs/dbraw/zinc/05/28/31/252052831.db2.gz VCVCVOZYXSYEMY-GWCFXTLKSA-N 1 0 370.356 2.754 20 5 FFBDRO CC1CC[NH+](CCN[C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000272517499 252057894 /nfs/dbraw/zinc/05/78/94/252057894.db2.gz KLADHWADKCERHA-GOSISDBHSA-N 1 0 357.458 2.739 20 5 FFBDRO C[C@@H]1CCCC[N@@H+]1CCN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272527028 252060981 /nfs/dbraw/zinc/06/09/81/252060981.db2.gz MGGNGMVKISUEHY-CRAIPNDOSA-N 1 0 357.458 2.882 20 5 FFBDRO COc1cc(CN2CC[C@H]3CC[N@H+](C)C[C@@H]32)c([N+](=O)[O-])cc1OC(F)F ZINC000272634390 252085898 /nfs/dbraw/zinc/08/58/98/252085898.db2.gz NOMHMQKGRILEIG-RISCZKNCSA-N 1 0 371.384 2.731 20 5 FFBDRO C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)C1=CC[N@H+](C)CC1 ZINC000273007126 252188985 /nfs/dbraw/zinc/18/89/85/252188985.db2.gz RVPCVIVXTHVHMW-HNNXBMFYSA-N 1 0 372.469 2.965 20 5 FFBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NC[C@H]2CC[NH2+]C2)cc1 ZINC000273086072 252212319 /nfs/dbraw/zinc/21/23/19/252212319.db2.gz YWCGNWFAHKCUAL-ZDUSSCGKSA-N 1 0 371.393 2.735 20 5 FFBDRO C[C@@H](CCc1ccco1)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000273486602 252315541 /nfs/dbraw/zinc/31/55/41/252315541.db2.gz VTLMEEMGKSVFML-ZDUSSCGKSA-N 1 0 352.412 2.572 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H]2CCc3ccccc3C2)cc1 ZINC000273487743 252317073 /nfs/dbraw/zinc/31/70/73/252317073.db2.gz WADCYHKQEFCGJZ-INIZCTEOSA-N 1 0 360.435 2.516 20 5 FFBDRO CS[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C[C@H]1[NH+]1CCCC1 ZINC000275825021 256052003 /nfs/dbraw/zinc/05/20/03/256052003.db2.gz RQXQJBVESNWDSI-HUUCEWRRSA-N 1 0 368.434 2.777 20 5 FFBDRO CCN(CCC[NH+](CC)CC)C(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000276499118 256105345 /nfs/dbraw/zinc/10/53/45/256105345.db2.gz UMKUPAMPEQMHHL-UHFFFAOYSA-N 1 0 367.446 2.806 20 5 FFBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C1CCN(c2cccnn2)CC1)C1CC1 ZINC000277074510 256158726 /nfs/dbraw/zinc/15/87/26/256158726.db2.gz JBFFCIGQEMSWGQ-GOSISDBHSA-N 1 0 367.453 2.965 20 5 FFBDRO Cc1nc2sccn2c(=O)c1CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000285769742 257003776 /nfs/dbraw/zinc/00/37/76/257003776.db2.gz WSJNSPOQBJYJEM-NSHDSACASA-N 1 0 358.423 2.866 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000277278308 256179996 /nfs/dbraw/zinc/17/99/96/256179996.db2.gz BBLKLQCEJXVCLZ-AWEZNQCLSA-N 1 0 364.446 2.834 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000277615580 256217709 /nfs/dbraw/zinc/21/77/09/256217709.db2.gz QJNXZEXHPGOQDY-ZIAGYGMSSA-N 1 0 361.442 2.986 20 5 FFBDRO Nc1c(F)c(NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000278399616 256308182 /nfs/dbraw/zinc/30/81/82/256308182.db2.gz MUKSWTQYDMJIPV-OAHLLOKOSA-N 1 0 374.416 2.885 20 5 FFBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCC1(O)CC[NH+](C(C)C)CC1 ZINC000278426230 256311600 /nfs/dbraw/zinc/31/16/00/256311600.db2.gz CTBUQOBQBLXAAT-UHFFFAOYSA-N 1 0 369.849 2.522 20 5 FFBDRO O=[N+]([O-])c1c(NC2CC[NH+](Cc3cccnc3)CC2)nc2sccn21 ZINC000278672141 256336730 /nfs/dbraw/zinc/33/67/30/256336730.db2.gz KCRXPAGGIZXHMH-UHFFFAOYSA-N 1 0 358.427 2.776 20 5 FFBDRO CC(C)N(CC[NH+](C)C)C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000278699966 256339600 /nfs/dbraw/zinc/33/96/00/256339600.db2.gz QFFUMCFXUPORGY-UHFFFAOYSA-N 1 0 364.265 2.831 20 5 FFBDRO CN(C)C(=O)N1CCC([NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000278316539 256298644 /nfs/dbraw/zinc/29/86/44/256298644.db2.gz BKAONIQXKBYZOZ-UHFFFAOYSA-N 1 0 374.363 2.849 20 5 FFBDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000278330127 256300002 /nfs/dbraw/zinc/30/00/02/256300002.db2.gz FUSMTUZQBDMXCC-CYBMUJFWSA-N 1 0 373.409 2.666 20 5 FFBDRO CN(C)[C@@H](CNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])c1ccco1 ZINC000279166303 256388971 /nfs/dbraw/zinc/38/89/71/256388971.db2.gz QHSRBOHCSHIUES-AWEZNQCLSA-N 1 0 369.780 2.942 20 5 FFBDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1c1nc2ccccc2cc1[N+](=O)[O-] ZINC000278874268 256357173 /nfs/dbraw/zinc/35/71/73/256357173.db2.gz VPMSVSANUSSOKS-CQSZACIVSA-N 1 0 356.426 2.833 20 5 FFBDRO CC1(C)C[C@H]([NH2+]Cc2cccc(OCC(N)=O)c2)c2cc([N+](=O)[O-])ccc21 ZINC000279003476 256371358 /nfs/dbraw/zinc/37/13/58/256371358.db2.gz GDMDSBUZDNCOHM-SFHVURJKSA-N 1 0 369.421 2.971 20 5 FFBDRO COC[C@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@H]1CCCO1 ZINC000279092584 256380965 /nfs/dbraw/zinc/38/09/65/256380965.db2.gz PNEDYPUYBIQMHM-JKSUJKDBSA-N 1 0 361.398 2.576 20 5 FFBDRO CCS[C@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000286236664 257027066 /nfs/dbraw/zinc/02/70/66/257027066.db2.gz RQOCTLIMUBCUQB-HIFRSBDPSA-N 1 0 353.444 2.806 20 5 FFBDRO C[C@H]1C[NH+](CCCNc2ncnc3sc([N+](=O)[O-])cc32)C[C@H](C)O1 ZINC000286264049 257028441 /nfs/dbraw/zinc/02/84/41/257028441.db2.gz WACCMDZBHQWFGI-QWRGUYRKSA-N 1 0 351.432 2.511 20 5 FFBDRO COc1cc(CN2CC[C@H](C(F)(F)F)[C@H](CO)C2)c([N+](=O)[O-])cc1F ZINC000286664788 257048399 /nfs/dbraw/zinc/04/83/99/257048399.db2.gz UVMFRMCEPBWWEF-QWRGUYRKSA-N 1 0 366.311 2.735 20 5 FFBDRO Nc1ccc(NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c([N+](=O)[O-])c1 ZINC000287628068 257099486 /nfs/dbraw/zinc/09/94/86/257099486.db2.gz GZYWZKFBBOMQFA-QGZVFWFLSA-N 1 0 356.426 2.880 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])c(-c2nc([C@@H]3C[N@@H+]4CCC[C@@H]4CO3)no2)c1 ZINC000289969618 257309228 /nfs/dbraw/zinc/30/92/28/257309228.db2.gz ZZAMAFLBWWOUBQ-ABAIWWIYSA-N 1 0 360.370 2.579 20 5 FFBDRO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000290050347 257312960 /nfs/dbraw/zinc/31/29/60/257312960.db2.gz HBVPVGNYOHLBQP-KRWDZBQOSA-N 1 0 372.469 2.657 20 5 FFBDRO COc1cc(C[NH2+][C@@H](CO)C2CCCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000289593196 257288966 /nfs/dbraw/zinc/28/89/66/257288966.db2.gz RCGCLYWBQCWZCN-LBPRGKRZSA-N 1 0 360.357 2.846 20 5 FFBDRO Cn1ncc(CCC[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)n1 ZINC000292889967 257521619 /nfs/dbraw/zinc/52/16/19/257521619.db2.gz FRROGASJERRSRB-UHFFFAOYSA-N 1 0 358.427 2.569 20 5 FFBDRO C[NH+](C)C[C@@H]1CCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000292973109 257525392 /nfs/dbraw/zinc/52/53/92/257525392.db2.gz DWNFSZKGWZWEPU-VIFPVBQESA-N 1 0 362.308 2.910 20 5 FFBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000295237866 257622863 /nfs/dbraw/zinc/62/28/63/257622863.db2.gz ZXCGTEABBPGYAX-NOZJJQNGSA-N 1 0 357.332 2.826 20 5 FFBDRO Cc1ccc(C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000297183264 257798331 /nfs/dbraw/zinc/79/83/31/257798331.db2.gz LHAKADWFEHPMNI-DLBZAZTESA-N 1 0 357.385 2.999 20 5 FFBDRO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000299613411 258009809 /nfs/dbraw/zinc/00/98/09/258009809.db2.gz ZFNUBHUSDSIYQL-KRWDZBQOSA-N 1 0 372.469 2.895 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@]1(C)CCCO ZINC000299646492 258013388 /nfs/dbraw/zinc/01/33/88/258013388.db2.gz KSPVYYGIHBNWNO-SFHVURJKSA-N 1 0 365.430 2.559 20 5 FFBDRO Cc1cc(NCc2cccc(OCC(N)=O)c2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302189537 258094051 /nfs/dbraw/zinc/09/40/51/258094051.db2.gz QONZWYXSUAZRAJ-UHFFFAOYSA-N 1 0 366.377 2.928 20 5 FFBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC[N@@H+]1CC(C)(C)O ZINC000302517670 258104487 /nfs/dbraw/zinc/10/44/87/258104487.db2.gz WAMZHCUPSCWCJD-OAHLLOKOSA-N 1 0 370.453 2.938 20 5 FFBDRO COC(=O)c1cnc(NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000302784772 258110725 /nfs/dbraw/zinc/11/07/25/258110725.db2.gz UZJICVUEICXLSL-LBPRGKRZSA-N 1 0 350.419 2.699 20 5 FFBDRO C[NH+](C)[C@H](CNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2)Cc1ccccc1 ZINC000301605425 258058450 /nfs/dbraw/zinc/05/84/50/258058450.db2.gz MKJGQBRKLABTAG-AWEZNQCLSA-N 1 0 370.409 2.511 20 5 FFBDRO C[C@H]1C[NH+](CC2CCN(c3ncc(Cl)cc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000301754798 258066296 /nfs/dbraw/zinc/06/62/96/258066296.db2.gz WXSZVJGTLROLQS-STQMWFEESA-N 1 0 368.865 2.969 20 5 FFBDRO C[NH+](C)[C@@H](CNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-])C1CCCCC1 ZINC000301858648 258071286 /nfs/dbraw/zinc/07/12/86/258071286.db2.gz CWVSWRDUCIPKDI-HNNXBMFYSA-N 1 0 369.487 2.921 20 5 FFBDRO C[NH+](C)CCCC1CCN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC1 ZINC000301913238 258074722 /nfs/dbraw/zinc/07/47/22/258074722.db2.gz HMTHBRXXHRUHGZ-UHFFFAOYSA-N 1 0 359.430 2.802 20 5 FFBDRO CC[C@H]1CN(c2cc(C)nc3c2cccc3[N+](=O)[O-])CC[N@@H+]1C[C@H](C)O ZINC000302022638 258082753 /nfs/dbraw/zinc/08/27/53/258082753.db2.gz ORBSVYMQNHZYLG-GJZGRUSLSA-N 1 0 358.442 2.733 20 5 FFBDRO CS[C@@H]1CN(C(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)C[C@H]1[NH+](C)C ZINC000330646136 258167323 /nfs/dbraw/zinc/16/73/23/258167323.db2.gz GTUFZISLINYBRT-ZIAGYGMSSA-N 1 0 351.472 2.638 20 5 FFBDRO CC(C)(C)[NH+]1CCC(NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000331097416 258177164 /nfs/dbraw/zinc/17/71/64/258177164.db2.gz BCYFYUNYEKVGTL-UHFFFAOYSA-N 1 0 355.385 2.795 20 5 FFBDRO CC(C)c1n[nH]c(C(=O)N[C@@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000331212509 258179647 /nfs/dbraw/zinc/17/96/47/258179647.db2.gz KFKYEFNLAOQMJN-UPJWGTAASA-N 1 0 351.451 2.538 20 5 FFBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000332002240 258209653 /nfs/dbraw/zinc/20/96/53/258209653.db2.gz XVCGZQMFAACFEX-MRXNPFEDSA-N 1 0 363.483 2.771 20 5 FFBDRO C[C@@H](NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000332009747 258209978 /nfs/dbraw/zinc/20/99/78/258209978.db2.gz ZEYFJWZERCNMNL-CXAGYDPISA-N 1 0 363.483 2.990 20 5 FFBDRO Cc1c(NC(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)cccc1[N+](=O)[O-] ZINC000332546534 258234768 /nfs/dbraw/zinc/23/47/68/258234768.db2.gz NEYOEKKNERZBGY-RHSMWYFYSA-N 1 0 362.430 2.653 20 5 FFBDRO C[C@@H]1C[C@@H](NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[N@@H+]1C ZINC000332656361 258239416 /nfs/dbraw/zinc/23/94/16/258239416.db2.gz JQUOXJYLIIKZTB-YPMHNXCESA-N 1 0 360.439 2.931 20 5 FFBDRO C[NH+]1CCC([C@H]2CCN(C(=O)Nc3cc(F)cc([N+](=O)[O-])c3)C2)CC1 ZINC000332718103 258240904 /nfs/dbraw/zinc/24/09/04/258240904.db2.gz ZWLQEIHZMBBMDT-ZDUSSCGKSA-N 1 0 350.394 2.930 20 5 FFBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H](c3nc4ccc(F)cc4o3)C2)c1 ZINC000370945258 512146755 /nfs/dbraw/zinc/14/67/55/512146755.db2.gz UACDKDMVABIFKG-LBPRGKRZSA-N 1 0 359.361 2.951 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)cc1SC ZINC000368971036 512162702 /nfs/dbraw/zinc/16/27/02/512162702.db2.gz YSXUKZUSMLIWEH-LBPRGKRZSA-N 1 0 365.455 2.636 20 5 FFBDRO COCC[C@@H]1CCCC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000375103319 512163694 /nfs/dbraw/zinc/16/36/94/512163694.db2.gz CCTHYSRELDNCTL-HNNXBMFYSA-N 1 0 361.442 2.623 20 5 FFBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000065881509 506384980 /nfs/dbraw/zinc/38/49/80/506384980.db2.gz NLKCSASIIDEXIT-WBVHZDCISA-N 1 0 368.437 2.958 20 5 FFBDRO CNC(=O)c1ccc(NC[C@@H](c2cccc(OC)c2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000053550529 506402505 /nfs/dbraw/zinc/40/25/05/506402505.db2.gz FZIXTPPPBCOIFF-SFHVURJKSA-N 1 0 372.425 2.678 20 5 FFBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000053721427 506435925 /nfs/dbraw/zinc/43/59/25/506435925.db2.gz WYFYAXIHQBTPIL-CQSZACIVSA-N 1 0 357.414 2.804 20 5 FFBDRO CCCC[NH+]1CCC(Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000066371850 506496961 /nfs/dbraw/zinc/49/69/61/506496961.db2.gz XVBYSDZVTCUBIK-UHFFFAOYSA-N 1 0 355.460 2.675 20 5 FFBDRO C[NH+](C)[C@H](CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)Cc1ccccc1 ZINC000041799130 506553010 /nfs/dbraw/zinc/55/30/10/506553010.db2.gz CUFYALLRQIOBRH-INIZCTEOSA-N 1 0 366.421 2.979 20 5 FFBDRO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000371241511 512285669 /nfs/dbraw/zinc/28/56/69/512285669.db2.gz COUZDUGBXBAIMW-GOEBONIOSA-N 1 0 358.442 2.773 20 5 FFBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000054645705 506595179 /nfs/dbraw/zinc/59/51/79/506595179.db2.gz GJLMYMOKBIUQEG-GOSISDBHSA-N 1 0 368.437 2.711 20 5 FFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000371241210 512285214 /nfs/dbraw/zinc/28/52/14/512285214.db2.gz BXDSDVHBAXWBER-CJNGLKHVSA-N 1 0 351.834 2.781 20 5 FFBDRO CC[NH+](CC)[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]1)c1cccc(OC)c1 ZINC000055291300 506719826 /nfs/dbraw/zinc/71/98/26/506719826.db2.gz NTXQDILLARGCCX-KRWDZBQOSA-N 1 0 360.414 2.744 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000067059018 506740156 /nfs/dbraw/zinc/74/01/56/506740156.db2.gz HKYFRWGHXTVDQQ-UHFFFAOYSA-N 1 0 368.437 2.903 20 5 FFBDRO CC[NH+]1CCC(CNC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)CC1 ZINC000067682884 506972969 /nfs/dbraw/zinc/97/29/69/506972969.db2.gz SJNRSDIFGVLBJM-ZDUSSCGKSA-N 1 0 351.472 2.924 20 5 FFBDRO O=[N+]([O-])c1ccc(CN2CC[NH+](CCCOCC(F)(F)F)CC2)cc1 ZINC000067714932 506988209 /nfs/dbraw/zinc/98/82/09/506988209.db2.gz WWIPGRKPDHYAJQ-UHFFFAOYSA-N 1 0 361.364 2.681 20 5 FFBDRO C[C@@H]1CN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000367059541 512318784 /nfs/dbraw/zinc/31/87/84/512318784.db2.gz HMNONCYQLPPMAW-DNVCBOLYSA-N 1 0 369.469 2.605 20 5 FFBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000057202705 507203898 /nfs/dbraw/zinc/20/38/98/507203898.db2.gz IHSSBOCYVWEEFG-GOSISDBHSA-N 1 0 370.453 2.909 20 5 FFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000047147921 507272711 /nfs/dbraw/zinc/27/27/11/507272711.db2.gz QQEHUXYIZRTSEZ-UONOGXRCSA-N 1 0 351.472 2.924 20 5 FFBDRO Cc1ccc(CN(CC[NH+](C)C)C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)o1 ZINC000068936184 507364831 /nfs/dbraw/zinc/36/48/31/507364831.db2.gz XGUSSKORDATMIY-UHFFFAOYSA-N 1 0 371.397 2.577 20 5 FFBDRO C[NH+](C)[C@@H](CNC(=O)CCOc1ccccc1[N+](=O)[O-])c1ccsc1 ZINC000047624867 507366996 /nfs/dbraw/zinc/36/69/96/507366996.db2.gz GNSUOSZRWSIIFA-HNNXBMFYSA-N 1 0 363.439 2.844 20 5 FFBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000068974617 507373871 /nfs/dbraw/zinc/37/38/71/507373871.db2.gz QKJQESICTNPPCA-INIZCTEOSA-N 1 0 374.485 2.658 20 5 FFBDRO CC(C)(CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)[NH+]1CCCCC1 ZINC000048178361 507472895 /nfs/dbraw/zinc/47/28/95/507472895.db2.gz AYFRJLGSKWERJM-UHFFFAOYSA-N 1 0 371.441 2.775 20 5 FFBDRO O=C(CC[N@@H+]1CC[C@H](c2nc(C3CC3)no2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000375465380 512343297 /nfs/dbraw/zinc/34/32/97/512343297.db2.gz IGJLCMBWTGEASU-ZDUSSCGKSA-N 1 0 371.397 2.673 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000026156245 507561800 /nfs/dbraw/zinc/56/18/00/507561800.db2.gz GWVSNTJVMQGUHR-UHFFFAOYSA-N 1 0 355.394 2.990 20 5 FFBDRO COc1ccc(C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000026356441 507580822 /nfs/dbraw/zinc/58/08/22/507580822.db2.gz QJXZFUPKYMLICH-UHFFFAOYSA-N 1 0 369.421 2.952 20 5 FFBDRO COc1cc(C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000060962016 507588144 /nfs/dbraw/zinc/58/81/44/507588144.db2.gz QATAYYHSGXJJMP-ZDUSSCGKSA-N 1 0 365.430 2.606 20 5 FFBDRO CCNc1ccc(C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)cc1[N+](=O)[O-] ZINC000071040353 507685481 /nfs/dbraw/zinc/68/54/81/507685481.db2.gz QARLEZZXUSKOGU-UHFFFAOYSA-N 1 0 352.354 2.860 20 5 FFBDRO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000051049561 507727627 /nfs/dbraw/zinc/72/76/27/507727627.db2.gz NQLVPFXVEBTJCG-HOTGVXAUSA-N 1 0 363.458 2.990 20 5 FFBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)C1 ZINC000063490196 507738964 /nfs/dbraw/zinc/73/89/64/507738964.db2.gz WASDLXFSMVWUSB-KGLIPLIRSA-N 1 0 351.472 2.922 20 5 FFBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000029177987 507766814 /nfs/dbraw/zinc/76/68/14/507766814.db2.gz JIXFDJUXRITPSR-LJQANCHMSA-N 1 0 369.421 2.927 20 5 FFBDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000063822406 507773780 /nfs/dbraw/zinc/77/37/80/507773780.db2.gz RGFWHCWBCGAQMP-GFCCVEGCSA-N 1 0 352.410 2.558 20 5 FFBDRO O=[N+]([O-])c1cnc2ccc(Br)cc2c1OC[C@@H]1CC[NH2+]C1 ZINC000051888672 507788857 /nfs/dbraw/zinc/78/88/57/507788857.db2.gz GCCNIWBEDQBAAF-SECBINFHSA-N 1 0 352.188 2.894 20 5 FFBDRO Cc1nn(C)c(NCCCC[NH+]2CCN(c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000052445790 507809467 /nfs/dbraw/zinc/80/94/67/507809467.db2.gz HRUPENYQDGDPQF-UHFFFAOYSA-N 1 0 372.473 2.651 20 5 FFBDRO Cc1cccc(C(=O)NCC2([NH+]3CCSCC3)CCCC2)c1[N+](=O)[O-] ZINC000031961682 507822684 /nfs/dbraw/zinc/82/26/84/507822684.db2.gz SKOQRRONANLWAA-UHFFFAOYSA-N 1 0 363.483 2.995 20 5 FFBDRO Cc1cc2ncc([C@H](C)[NH2+]CCOc3ccc([N+](=O)[O-])cc3)c(C)n2n1 ZINC000089580991 507847450 /nfs/dbraw/zinc/84/74/50/507847450.db2.gz WEYSOVKAQYBHTI-ZDUSSCGKSA-N 1 0 355.398 2.984 20 5 FFBDRO Cc1c(C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000107600107 507859051 /nfs/dbraw/zinc/85/90/51/507859051.db2.gz ONYFWPYNFRKDIP-CYBMUJFWSA-N 1 0 362.386 2.512 20 5 FFBDRO CC[N@H+](C)C[C@@H]1CCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000072860146 507865699 /nfs/dbraw/zinc/86/56/99/507865699.db2.gz DSEGCQSEGMBDPR-STQMWFEESA-N 1 0 368.865 2.849 20 5 FFBDRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000108300927 507885232 /nfs/dbraw/zinc/88/52/32/507885232.db2.gz AXRNLILVZLCVSU-CQSZACIVSA-N 1 0 372.450 2.932 20 5 FFBDRO C[N@@H+]1CCC[C@H](CNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000108336559 507887861 /nfs/dbraw/zinc/88/78/61/507887861.db2.gz BSYAUIIRFYCGIO-GFCCVEGCSA-N 1 0 360.439 2.790 20 5 FFBDRO O=[N+]([O-])c1cccc(OCC[N@H+](C[C@@H]2CCCO2)[C@@H]2CCSC2)c1 ZINC000089952824 507889962 /nfs/dbraw/zinc/88/99/62/507889962.db2.gz QWJHXIDGNVROHU-WBVHZDCISA-N 1 0 352.456 2.960 20 5 FFBDRO O=[N+]([O-])c1cccc(OCC[N@H+](C[C@H]2CCCO2)[C@@H]2CCSC2)c1 ZINC000089952825 507890072 /nfs/dbraw/zinc/89/00/72/507890072.db2.gz QWJHXIDGNVROHU-NVXWUHKLSA-N 1 0 352.456 2.960 20 5 FFBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000090553059 507927385 /nfs/dbraw/zinc/92/73/85/507927385.db2.gz OVDZKYVDXPJBPT-CQSZACIVSA-N 1 0 368.393 2.777 20 5 FFBDRO C[C@H]([NH2+]C[C@@H]1C[C@H](O)CN1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000090913888 507939124 /nfs/dbraw/zinc/93/91/24/507939124.db2.gz NOZHCLJBAMDXJM-YSSFQJQWSA-N 1 0 355.438 2.881 20 5 FFBDRO CCCc1n[nH]c(C(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000109620144 507971925 /nfs/dbraw/zinc/97/19/25/507971925.db2.gz JVWVBPJEHMBATF-PXAZEXFGSA-N 1 0 351.451 2.511 20 5 FFBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000074325842 508012846 /nfs/dbraw/zinc/01/28/46/508012846.db2.gz KLPQJQGKXFJDJO-AWEZNQCLSA-N 1 0 356.426 2.880 20 5 FFBDRO COc1ccc(C(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000110353446 508023018 /nfs/dbraw/zinc/02/30/18/508023018.db2.gz PSNHYSYYQQJESQ-AWEZNQCLSA-N 1 0 357.410 2.854 20 5 FFBDRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000110519391 508032083 /nfs/dbraw/zinc/03/20/83/508032083.db2.gz AKOWHFWODBGSJV-GJZGRUSLSA-N 1 0 362.474 2.879 20 5 FFBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NC[C@@H]3CC[N@H+](C)C3)cc2[N+](=O)[O-])C1 ZINC000110652056 508039744 /nfs/dbraw/zinc/03/97/44/508039744.db2.gz KQLWXKXSDWELGB-OAGGEKHMSA-N 1 0 374.485 2.759 20 5 FFBDRO C[C@@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2C(N)=O)CC[N@@H+]1Cc1ccccc1 ZINC000080230700 508054449 /nfs/dbraw/zinc/05/44/49/508054449.db2.gz ZEJJLJIALRSMQQ-UKRRQHHQSA-N 1 0 369.425 2.554 20 5 FFBDRO COc1ccc(CN2CC[NH2+][C@H](C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000092457275 508072098 /nfs/dbraw/zinc/07/20/98/508072098.db2.gz NMHUSEWQPAGVMI-OAHLLOKOSA-N 1 0 371.437 2.976 20 5 FFBDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000075323732 508097255 /nfs/dbraw/zinc/09/72/55/508097255.db2.gz BIOGCIAWQDVYCU-INIZCTEOSA-N 1 0 371.441 2.611 20 5 FFBDRO C[C@@H]1CC(C)(C)C[C@@](CO)([NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000080899228 508109769 /nfs/dbraw/zinc/10/97/69/508109769.db2.gz NXPZMEZJZKMWOB-KUHUBIRLSA-N 1 0 363.458 2.725 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000075639807 508125169 /nfs/dbraw/zinc/12/51/69/508125169.db2.gz YEZMFLWGVJWQRN-UHFFFAOYSA-N 1 0 369.487 2.644 20 5 FFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(Oc2ccnc(C(N)=O)c2)CC1 ZINC000093260937 508131086 /nfs/dbraw/zinc/13/10/86/508131086.db2.gz ARIGNIOYEYDGFU-ZDUSSCGKSA-N 1 0 370.409 2.693 20 5 FFBDRO Cc1ccc([C@@H]2[C@@H](C)CCC[N@@H+]2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000075752837 508132848 /nfs/dbraw/zinc/13/28/48/508132848.db2.gz BQNUUJUJPRPIIS-SNRMKQJTSA-N 1 0 358.442 2.934 20 5 FFBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000081329788 508163136 /nfs/dbraw/zinc/16/31/36/508163136.db2.gz PLAOCJULXQRNTN-AWEZNQCLSA-N 1 0 351.472 2.877 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000076481261 508212098 /nfs/dbraw/zinc/21/20/98/508212098.db2.gz YHKBHFBNURRJNA-DYVFJYSZSA-N 1 0 360.458 2.971 20 5 FFBDRO C[NH+](C)CCC1CCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC1 ZINC000112924786 508233931 /nfs/dbraw/zinc/23/39/31/508233931.db2.gz SHHSRMRSUIUHAD-UHFFFAOYSA-N 1 0 371.441 2.584 20 5 FFBDRO C[C@H]1CCC[N@H+](Cc2ccc(CNc3ncc([N+](=O)[O-])c(N)n3)cc2)C1 ZINC000076750672 508250619 /nfs/dbraw/zinc/25/06/19/508250619.db2.gz XXHSBDXOLBNEGY-ZDUSSCGKSA-N 1 0 356.430 2.811 20 5 FFBDRO C[NH+]1CCC2(CCCN2C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000371412832 512387009 /nfs/dbraw/zinc/38/70/09/512387009.db2.gz KDFWNHUMKGIMRM-UHFFFAOYSA-N 1 0 351.834 2.878 20 5 FFBDRO CCCN(CC[NH+](C)C)C(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000103206728 508301808 /nfs/dbraw/zinc/30/18/08/508301808.db2.gz UIXHIKGLORCJJD-UHFFFAOYSA-N 1 0 355.460 2.739 20 5 FFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000114645231 508333317 /nfs/dbraw/zinc/33/33/17/508333317.db2.gz KDDUBHJUJBLKTA-MRXNPFEDSA-N 1 0 354.410 2.693 20 5 FFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000114645229 508333607 /nfs/dbraw/zinc/33/36/07/508333607.db2.gz KDDUBHJUJBLKTA-INIZCTEOSA-N 1 0 354.410 2.693 20 5 FFBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000087135535 508339130 /nfs/dbraw/zinc/33/91/30/508339130.db2.gz ARCLBQHASRDIHD-HUUCEWRRSA-N 1 0 360.458 2.783 20 5 FFBDRO C[NH+](C)CCN(Cc1ccco1)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000088229573 508359069 /nfs/dbraw/zinc/35/90/69/508359069.db2.gz IBYFLXJRJGWDRL-UHFFFAOYSA-N 1 0 356.382 2.873 20 5 FFBDRO C[NH+](C)CCN(Cc1ccco1)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000088597144 508377684 /nfs/dbraw/zinc/37/76/84/508377684.db2.gz SFYRUXVEQUQUKX-UHFFFAOYSA-N 1 0 360.414 2.504 20 5 FFBDRO CCOC(=O)c1ccnc(N2CCCC[C@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000077965551 508394888 /nfs/dbraw/zinc/39/48/88/508394888.db2.gz CGPJVQQFGMXIQJ-AWEZNQCLSA-N 1 0 362.430 2.621 20 5 FFBDRO Cc1cc(C(=O)N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)cc([N+](=O)[O-])c1 ZINC000133511687 508409192 /nfs/dbraw/zinc/40/91/92/508409192.db2.gz IAPVLKXYSKZCCN-IRXDYDNUSA-N 1 0 374.485 2.534 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000133553779 508415463 /nfs/dbraw/zinc/41/54/63/508415463.db2.gz YIDFXTJAXXYRIZ-IRXDYDNUSA-N 1 0 374.485 2.534 20 5 FFBDRO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000127563623 508469306 /nfs/dbraw/zinc/46/93/06/508469306.db2.gz FQAODVWYODWUNY-MRXNPFEDSA-N 1 0 372.469 2.753 20 5 FFBDRO COc1ccc(-c2ccc(C[NH2+][C@H]3CCN(C(C)=O)C3)o2)c([N+](=O)[O-])c1 ZINC000152946326 508533251 /nfs/dbraw/zinc/53/32/51/508533251.db2.gz NEBUPBDBJCCBFV-ZDUSSCGKSA-N 1 0 359.382 2.574 20 5 FFBDRO C[C@@H](CNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000116730705 508552356 /nfs/dbraw/zinc/55/23/56/508552356.db2.gz ARKYOYFVTHKGGY-ZDUSSCGKSA-N 1 0 369.849 2.865 20 5 FFBDRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000153657032 508619022 /nfs/dbraw/zinc/61/90/22/508619022.db2.gz GTTHDIDRQMQNTJ-KBPBESRZSA-N 1 0 367.881 2.638 20 5 FFBDRO O=C(Nc1ccccc1C[NH+]1CCC(O)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000135619186 508633049 /nfs/dbraw/zinc/63/30/49/508633049.db2.gz WIEHIRXEPVKOBP-UHFFFAOYSA-N 1 0 373.384 2.943 20 5 FFBDRO O=c1[nH]c2ccccc2cc1C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000118866991 508688941 /nfs/dbraw/zinc/68/89/41/508688941.db2.gz QZBYQPNDDNEYND-OAHLLOKOSA-N 1 0 365.393 2.518 20 5 FFBDRO Cn1cc([C@@H](O)C[C@H]2CCC[N@@H+]2CCCOc2ccc([N+](=O)[O-])cc2)cn1 ZINC000371454786 512411830 /nfs/dbraw/zinc/41/18/30/512411830.db2.gz BDYRCVCGEJAXLU-MJGOQNOKSA-N 1 0 374.441 2.685 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]1C[C@@H](O)c1cnn(C)c1 ZINC000371458236 512413307 /nfs/dbraw/zinc/41/33/07/512413307.db2.gz JXSAAUQJQXIBIB-FUHWJXTLSA-N 1 0 374.441 2.815 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c1 ZINC000137448923 508756150 /nfs/dbraw/zinc/75/61/50/508756150.db2.gz NUKCPRRANSFZRA-GDBMZVCRSA-N 1 0 369.421 2.996 20 5 FFBDRO C[C@@H]1C[C@H](NC(=O)c2cccc([N+](=O)[O-])c2N)C[N@@H+]1Cc1ccccc1 ZINC000137495379 508758718 /nfs/dbraw/zinc/75/87/18/508758718.db2.gz MRNWPIYBWQNBGX-HIFRSBDPSA-N 1 0 354.410 2.570 20 5 FFBDRO CCCc1n[nH]c(C(=O)NC[C@H]2CCCC[N@@H+]2CC(C)C)c1[N+](=O)[O-] ZINC000154314462 508759187 /nfs/dbraw/zinc/75/91/87/508759187.db2.gz NTLZNCNLOBYAEV-CYBMUJFWSA-N 1 0 351.451 2.511 20 5 FFBDRO O=C(CC[NH2+][C@H](CCO)c1ccccc1)Nc1cc([N+](=O)[O-])ccc1F ZINC000129729414 508759214 /nfs/dbraw/zinc/75/92/14/508759214.db2.gz PBSAGKDUEQOJLB-MRXNPFEDSA-N 1 0 361.373 2.776 20 5 FFBDRO COc1ccc(C[N@@H+]2CCC[C@H](c3nncn3C3CC3)C2)cc1[N+](=O)[O-] ZINC000159067593 508788220 /nfs/dbraw/zinc/78/82/20/508788220.db2.gz PSPPSIBUDBTRKY-AWEZNQCLSA-N 1 0 357.414 2.909 20 5 FFBDRO CC1CC[NH+](CCCNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000124174741 508792242 /nfs/dbraw/zinc/79/22/42/508792242.db2.gz GQPWKWFZBPTGLN-UHFFFAOYSA-N 1 0 358.442 2.857 20 5 FFBDRO CC(C)(C)[N@H+](CCn1ccc([N+](=O)[O-])n1)CC(=O)Nc1ccc(F)cc1 ZINC000154478301 508792813 /nfs/dbraw/zinc/79/28/13/508792813.db2.gz JLOGCRHUFZETOU-UHFFFAOYSA-N 1 0 363.393 2.670 20 5 FFBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2Br)C1 ZINC000159132714 508796799 /nfs/dbraw/zinc/79/67/99/508796799.db2.gz JFQMJRUTSDTJGC-SNVBAGLBSA-N 1 0 356.220 2.524 20 5 FFBDRO C[C@@H]([NH2+]C1(CNC(=O)c2[nH]ncc2[N+](=O)[O-])CCCC1)c1ccccc1 ZINC000154506106 508798066 /nfs/dbraw/zinc/79/80/66/508798066.db2.gz MIFIOHUHFZMEML-CYBMUJFWSA-N 1 0 357.414 2.711 20 5 FFBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000159148945 508799434 /nfs/dbraw/zinc/79/94/34/508799434.db2.gz LDWPWFLIDZKFMQ-FQEVSTJZSA-N 1 0 372.469 2.657 20 5 FFBDRO Cn1cc([C@H](O)C[C@@H]2CCC[N@@H+]2Cc2nc3cc([N+](=O)[O-])ccc3o2)cn1 ZINC000371464077 512418029 /nfs/dbraw/zinc/41/80/29/512418029.db2.gz OEDCMBAJGZXRLT-XJKSGUPXSA-N 1 0 371.397 2.558 20 5 FFBDRO C[C@@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2Br)CC[N@@H+]1C ZINC000124338003 508817263 /nfs/dbraw/zinc/81/72/63/508817263.db2.gz AZAPCUJLYPDRHG-MNOVXSKESA-N 1 0 370.247 2.912 20 5 FFBDRO CN(CC[N@H+](C)C1CCN(C)CC1)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000119566048 508819834 /nfs/dbraw/zinc/81/98/34/508819834.db2.gz GRXYTVPNVQIYRM-UHFFFAOYSA-N 1 0 354.882 2.706 20 5 FFBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000119677331 508841918 /nfs/dbraw/zinc/84/19/18/508841918.db2.gz UYOOUKDRAJTEKV-KXBFYZLASA-N 1 0 369.421 2.610 20 5 FFBDRO Cn1cc(N2CC[C@H]([NH2+]Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2)cn1 ZINC000377728583 512422176 /nfs/dbraw/zinc/42/21/76/512422176.db2.gz XLQJXYKOPQTFOV-HNNXBMFYSA-N 1 0 367.409 2.957 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000119852430 508876216 /nfs/dbraw/zinc/87/62/16/508876216.db2.gz ZUKVLCUDLWACMZ-GJZGRUSLSA-N 1 0 364.446 2.832 20 5 FFBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000150800828 508896118 /nfs/dbraw/zinc/89/61/18/508896118.db2.gz YBQMUOSWKGDDEE-AWEZNQCLSA-N 1 0 365.405 2.590 20 5 FFBDRO COc1ccc(C[NH+]2CCC(OC[C@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000131617938 508954368 /nfs/dbraw/zinc/95/43/68/508954368.db2.gz LPPAJFHSTDBGBZ-HNNXBMFYSA-N 1 0 350.415 2.621 20 5 FFBDRO COc1ccc(CN(C)Cc2cn(C)nc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000155339934 508980634 /nfs/dbraw/zinc/98/06/34/508980634.db2.gz CPNNAXDIBXWOHJ-UHFFFAOYSA-N 1 0 358.320 2.988 20 5 FFBDRO C[C@@H]([NH2+][C@@H](C)C1CCOCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000125468696 508987268 /nfs/dbraw/zinc/98/72/68/508987268.db2.gz LDVXVUCUERZHND-WDEREUQCSA-N 1 0 355.822 2.980 20 5 FFBDRO O=C1CCc2cc([N+](=O)[O-])c(N3CCC[C@H]3C[NH+]3CCCCC3)cc2N1 ZINC000160444878 508988207 /nfs/dbraw/zinc/98/82/07/508988207.db2.gz XSKUVEKBQAXPRL-HNNXBMFYSA-N 1 0 358.442 2.934 20 5 FFBDRO O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160476238 508992182 /nfs/dbraw/zinc/99/21/82/508992182.db2.gz QKRORKOXLJIXMN-BETUJISGSA-N 1 0 358.423 2.685 20 5 FFBDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000155440184 509001065 /nfs/dbraw/zinc/00/10/65/509001065.db2.gz GURSVOHFBPSGSX-AWEZNQCLSA-N 1 0 354.410 2.945 20 5 FFBDRO Cc1ccc(NC(=O)c2cc([N+](=O)[O-])cnc2C)c(OCC[NH+](C)C)c1 ZINC000151387293 509008826 /nfs/dbraw/zinc/00/88/26/509008826.db2.gz LXTNFXWJHRPZFI-UHFFFAOYSA-N 1 0 358.398 2.799 20 5 FFBDRO C[N@H+](CCC1CCOCC1)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000120515762 509012036 /nfs/dbraw/zinc/01/20/36/509012036.db2.gz DFZJZDLJTLWHAW-UHFFFAOYSA-N 1 0 355.822 2.935 20 5 FFBDRO Cc1c(NC(=O)CC[NH2+][C@]2(CO)CCc3ccccc32)cccc1[N+](=O)[O-] ZINC000132424482 509029920 /nfs/dbraw/zinc/02/99/20/509029920.db2.gz ZXWJAXACCBSABT-FQEVSTJZSA-N 1 0 369.421 2.655 20 5 FFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000155577800 509030376 /nfs/dbraw/zinc/03/03/76/509030376.db2.gz QPEJZFLPTVZNDP-AWEZNQCLSA-N 1 0 369.425 2.649 20 5 FFBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000151682379 509065549 /nfs/dbraw/zinc/06/55/49/509065549.db2.gz CNPIYNWUBYUUSI-KRWDZBQOSA-N 1 0 362.430 2.704 20 5 FFBDRO C[NH+](C)CCOc1ccc(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)cc1 ZINC000132894838 509088566 /nfs/dbraw/zinc/08/85/66/509088566.db2.gz SXLBZMDXNYLPFL-UHFFFAOYSA-N 1 0 369.381 2.664 20 5 FFBDRO C[NH2+][C@H]1CCCN(C(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC000132976821 509099151 /nfs/dbraw/zinc/09/91/51/509099151.db2.gz HYZATVRASWRPNW-ZBFHGGJFSA-N 1 0 360.458 2.655 20 5 FFBDRO COc1ccc([C@H](C)[NH2+]CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1F ZINC000127076311 509165070 /nfs/dbraw/zinc/16/50/70/509165070.db2.gz PAMCBCNLEYKSQQ-LBPRGKRZSA-N 1 0 373.384 2.982 20 5 FFBDRO CNC(=O)c1ccc(N(CC[NH+](C)C)Cc2cccs2)c([N+](=O)[O-])c1 ZINC000162275025 509188613 /nfs/dbraw/zinc/18/86/13/509188613.db2.gz LLSOHZGDQRDKCG-UHFFFAOYSA-N 1 0 362.455 2.584 20 5 FFBDRO C[N@@H+]1CC[C@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000247962266 509201648 /nfs/dbraw/zinc/20/16/48/509201648.db2.gz DATCJQJKDKYAPW-OXJNMPFZSA-N 1 0 369.421 2.925 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000172750699 509213674 /nfs/dbraw/zinc/21/36/74/509213674.db2.gz VBSXKKJNHSZQGT-UHFFFAOYSA-N 1 0 374.485 2.583 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000248122458 509239866 /nfs/dbraw/zinc/23/98/66/509239866.db2.gz FWXBQMVUJQFKKJ-IIDMSEBBSA-N 1 0 363.458 2.677 20 5 FFBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)CC[C@H]21 ZINC000248182121 509257715 /nfs/dbraw/zinc/25/77/15/509257715.db2.gz WPNPIWPFMAVVIH-RHSMWYFYSA-N 1 0 358.442 2.725 20 5 FFBDRO C[N@@H+]1CC[C@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1 ZINC000179115311 509270654 /nfs/dbraw/zinc/27/06/54/509270654.db2.gz IBMBRSMXNJWZTA-ROUUACIJSA-N 1 0 354.410 2.839 20 5 FFBDRO C[NH+]1CCN(Cc2cccc(NC(=O)Cc3cccc([N+](=O)[O-])c3)c2)CC1 ZINC000172884120 509290272 /nfs/dbraw/zinc/29/02/72/509290272.db2.gz QVDRSLIIQAGMLJ-UHFFFAOYSA-N 1 0 368.437 2.523 20 5 FFBDRO O=C1O[C@@H](C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CC12CCC2 ZINC000192048252 509317863 /nfs/dbraw/zinc/31/78/63/509317863.db2.gz RJFVIJSKSUFVLJ-QGZVFWFLSA-N 1 0 360.410 2.924 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)NCCC[NH+]2CCCCC2)cc1SC ZINC000264089427 509326020 /nfs/dbraw/zinc/32/60/20/509326020.db2.gz GPCFRJUMFKKAGJ-UHFFFAOYSA-N 1 0 367.471 2.931 20 5 FFBDRO COCCC[N@H+](CCOC)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000264152773 509353890 /nfs/dbraw/zinc/35/38/90/509353890.db2.gz DECXUBNYTPXLDT-UHFFFAOYSA-N 1 0 363.414 2.777 20 5 FFBDRO C[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1(c2ccccc2)CCCC1 ZINC000185949366 509443177 /nfs/dbraw/zinc/44/31/77/509443177.db2.gz WPJWQKCQZRDOFC-QAPCUYQASA-N 1 0 358.442 2.642 20 5 FFBDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000236601709 509461560 /nfs/dbraw/zinc/46/15/60/509461560.db2.gz VUMVPDPCWWCYJO-WCQYABFASA-N 1 0 357.838 2.847 20 5 FFBDRO CCC[C@]1(COC)CCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248741057 509461932 /nfs/dbraw/zinc/46/19/32/509461932.db2.gz PWACOEKXJVXMIV-CRAIPNDOSA-N 1 0 352.431 2.616 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N3C[C@@H](C)[NH2+]C[C@@H]3C)cc2[N+](=O)[O-])CC1 ZINC000236669352 509476727 /nfs/dbraw/zinc/47/67/27/509476727.db2.gz ROLGAUVIALQCFH-CABCVRRESA-N 1 0 360.458 2.654 20 5 FFBDRO CC(C)C[C@](C)(C[NH3+])NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000236677407 509478153 /nfs/dbraw/zinc/47/81/53/509478153.db2.gz BHOKJSGZDCADJK-MRXNPFEDSA-N 1 0 357.838 2.897 20 5 FFBDRO O=C(C[NH2+][C@@H]1CCCc2c(O)cccc21)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000192354470 509478291 /nfs/dbraw/zinc/47/82/91/509478291.db2.gz YPSUSIMBJQUUNV-QGZVFWFLSA-N 1 0 367.405 2.857 20 5 FFBDRO O=[N+]([O-])c1cccc(CNC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c1 ZINC000192357626 509479853 /nfs/dbraw/zinc/47/98/53/509479853.db2.gz FWPNEMPFRIDJBM-HXUWFJFHSA-N 1 0 355.438 2.976 20 5 FFBDRO O=[N+]([O-])c1ccccc1CNC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000192357653 509480224 /nfs/dbraw/zinc/48/02/24/509480224.db2.gz GMSVPQZUJDRPMX-LJQANCHMSA-N 1 0 355.438 2.976 20 5 FFBDRO C[N@@H+]1CCCC[C@H]1CN1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000264374012 509488846 /nfs/dbraw/zinc/48/88/46/509488846.db2.gz DCNMCKJSZFXKHP-INIZCTEOSA-N 1 0 369.469 2.749 20 5 FFBDRO C[C@@H]1C[NH+](CCC2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)C[C@@H](C)O1 ZINC000267449247 509490606 /nfs/dbraw/zinc/49/06/06/509490606.db2.gz ZTDNCNGODSTVRS-ZIAGYGMSSA-N 1 0 365.430 2.539 20 5 FFBDRO COC(=O)c1cnc(NC[C@@H]2CCC[N@H+](CC(C)C)C2)c([N+](=O)[O-])c1 ZINC000189362985 509540051 /nfs/dbraw/zinc/54/00/51/509540051.db2.gz PXMLXKOHTIVWDT-ZDUSSCGKSA-N 1 0 350.419 2.556 20 5 FFBDRO O=C(C[N@H+](C[C@@H]1CCOC1)C1CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000164858838 509541115 /nfs/dbraw/zinc/54/11/15/509541115.db2.gz LDCHBDWANIIMNK-NSHDSACASA-N 1 0 353.806 2.688 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CNCc1ccc2c(c1)sc(=O)n2C ZINC000192549702 509551364 /nfs/dbraw/zinc/55/13/64/509551364.db2.gz XHXRQAPDWQEEFB-UHFFFAOYSA-N 1 0 359.407 2.807 20 5 FFBDRO COc1cc(C[NH2+][C@H]2CCCc3[nH]c(=O)ccc32)c([N+](=O)[O-])cc1OC ZINC000264511642 509570863 /nfs/dbraw/zinc/57/08/63/509570863.db2.gz HRUJICVTMJQUSP-ZDUSSCGKSA-N 1 0 359.382 2.880 20 5 FFBDRO CC[N@@H+]1CCCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1 ZINC000264604216 509618027 /nfs/dbraw/zinc/61/80/27/509618027.db2.gz FUZPANOAUCCFRV-UHFFFAOYSA-N 1 0 363.461 2.709 20 5 FFBDRO Cc1ccccc1NC(=O)CC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173464066 509618384 /nfs/dbraw/zinc/61/83/84/509618384.db2.gz OVFAWLVXQXVXJX-OAHLLOKOSA-N 1 0 369.425 2.813 20 5 FFBDRO CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000186305278 509634183 /nfs/dbraw/zinc/63/41/83/509634183.db2.gz AZVFUDNDGRVGHU-WMZOPIPTSA-N 1 0 361.442 2.667 20 5 FFBDRO C[C@@H]1C[N@@H+](CCCCNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000176704173 509649660 /nfs/dbraw/zinc/64/96/60/509649660.db2.gz OCMGRWQQVOUTFJ-BOWTUIMFSA-N 1 0 361.442 2.614 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H]1CCCO[C@@H]1CC(C)C ZINC000186339994 509656785 /nfs/dbraw/zinc/65/67/85/509656785.db2.gz VRZJOUOJOFJAIO-WMLDXEAASA-N 1 0 365.430 2.725 20 5 FFBDRO [NH3+]CCOc1ccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 ZINC000183239660 509672577 /nfs/dbraw/zinc/67/25/77/509672577.db2.gz PUEFNRZEYUSQDZ-UHFFFAOYSA-N 1 0 370.409 2.785 20 5 FFBDRO C[C@H]1CN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000237558127 509678228 /nfs/dbraw/zinc/67/82/28/509678228.db2.gz NUSYBYGNHGVNON-AWEZNQCLSA-N 1 0 354.410 2.641 20 5 FFBDRO NC(=O)c1ccc(NC[C@H]2CC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000192958614 509714903 /nfs/dbraw/zinc/71/49/03/509714903.db2.gz JJORMVYTWDPCSW-OAHLLOKOSA-N 1 0 354.410 2.628 20 5 FFBDRO C[C@H]1C[C@H](C)CN(c2ccc(C(=O)N3CC[NH2+][C@@H](C)C3)cc2[N+](=O)[O-])C1 ZINC000237713037 509716778 /nfs/dbraw/zinc/71/67/78/509716778.db2.gz HSAWKOLICYTIHA-KKUMJFAQSA-N 1 0 360.458 2.511 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000268015670 509718823 /nfs/dbraw/zinc/71/88/23/509718823.db2.gz XMGMMJFPZNKYTL-MRXNPFEDSA-N 1 0 352.460 2.770 20 5 FFBDRO C[C@@H]1C[C@@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000268045689 509733709 /nfs/dbraw/zinc/73/37/09/509733709.db2.gz ZKIQKUSCJINTAH-MWLCHTKSSA-N 1 0 368.231 2.712 20 5 FFBDRO C[C@H](NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[C@H](c1ccccc1)[NH+](C)C ZINC000186493537 509737913 /nfs/dbraw/zinc/73/79/13/509737913.db2.gz HNTLQSQNYFOSAQ-KPZWWZAWSA-N 1 0 367.409 2.892 20 5 FFBDRO [NH3+]C1(CNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CCCCC1 ZINC000237822143 509743012 /nfs/dbraw/zinc/74/30/12/509743012.db2.gz CRYJPNFIPGOJRG-UHFFFAOYSA-N 1 0 355.822 2.795 20 5 FFBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000268108152 509760006 /nfs/dbraw/zinc/76/00/06/509760006.db2.gz GDBGPBFXHSNRHW-NHYWBVRUSA-N 1 0 354.838 2.730 20 5 FFBDRO C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H](c1ccccc1)[NH+](C)C ZINC000186586556 509787478 /nfs/dbraw/zinc/78/74/78/509787478.db2.gz OJNMNIFRODXMNT-SUMWQHHRSA-N 1 0 363.439 2.565 20 5 FFBDRO [NH3+]CC1(NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCCC1 ZINC000238012647 509799490 /nfs/dbraw/zinc/79/94/90/509799490.db2.gz TXFZXZGZGIBPCT-UHFFFAOYSA-N 1 0 374.363 2.803 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000186610723 509800750 /nfs/dbraw/zinc/80/07/50/509800750.db2.gz YBGRGLGJRNZKCC-QGZVFWFLSA-N 1 0 354.410 2.774 20 5 FFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000189936254 509838086 /nfs/dbraw/zinc/83/80/86/509838086.db2.gz STSHOZNOURCABY-OAHLLOKOSA-N 1 0 365.474 2.659 20 5 FFBDRO O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)Nc1ccncc1[N+](=O)[O-] ZINC000183568068 509865452 /nfs/dbraw/zinc/86/54/52/509865452.db2.gz IFQYUPKPIDASPE-HNNXBMFYSA-N 1 0 355.398 2.776 20 5 FFBDRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)Nc1ccncc1[N+](=O)[O-] ZINC000183627968 509894880 /nfs/dbraw/zinc/89/48/80/509894880.db2.gz QBLGYRZHQBTGMP-UHFFFAOYSA-N 1 0 355.398 2.907 20 5 FFBDRO C[C@H]([NH2+]CC(=O)NCCO[C@@H]1CCCC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000180407304 509910174 /nfs/dbraw/zinc/91/01/74/509910174.db2.gz MJHNSHOKSQXNLK-RVKKMQEKSA-N 1 0 363.458 2.957 20 5 FFBDRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255019850 509916568 /nfs/dbraw/zinc/91/65/68/509916568.db2.gz AMTNCQZPQKAXQW-MONCILHSSA-N 1 0 358.486 2.710 20 5 FFBDRO COC(=O)c1cccc(NC(=O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000180417545 509916740 /nfs/dbraw/zinc/91/67/40/509916740.db2.gz LZFBJSRSRBEDKS-LBPRGKRZSA-N 1 0 357.366 2.671 20 5 FFBDRO CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000177191301 509927562 /nfs/dbraw/zinc/92/75/62/509927562.db2.gz NQGONUUNNDROGC-NSHDSACASA-N 1 0 356.220 2.571 20 5 FFBDRO CCOc1cccc(CNC(=O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000180456213 509932833 /nfs/dbraw/zinc/93/28/33/509932833.db2.gz DEDQPRSCEGYYKN-AWEZNQCLSA-N 1 0 357.410 2.961 20 5 FFBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000245453902 509944844 /nfs/dbraw/zinc/94/48/44/509944844.db2.gz ROSABGVFFJKBRH-YJBOKZPZSA-N 1 0 360.458 2.506 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000193585222 509978238 /nfs/dbraw/zinc/97/82/38/509978238.db2.gz UJWKSWITMCCXQM-ZDUSSCGKSA-N 1 0 373.413 2.535 20 5 FFBDRO Cc1ccccc1[C@@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)[C@@H](C)CO1 ZINC000245573601 510017118 /nfs/dbraw/zinc/01/71/18/510017118.db2.gz DCPFRJJICGVOQC-YJBOKZPZSA-N 1 0 357.410 2.527 20 5 FFBDRO COCC1(CNc2ccc(Br)cc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000261664954 510018630 /nfs/dbraw/zinc/01/86/30/510018630.db2.gz KYHQDYGUQMSJTR-UHFFFAOYSA-N 1 0 358.236 2.785 20 5 FFBDRO CS(=O)(=O)c1ccc(NCC[NH2+]C2CCCCCC2)c([N+](=O)[O-])c1 ZINC000261672580 510021933 /nfs/dbraw/zinc/02/19/33/510021933.db2.gz LWFSTIFRODJQJL-UHFFFAOYSA-N 1 0 355.460 2.723 20 5 FFBDRO C[C@H]([NH2+]C[C@H]1C[C@@H](O)CN1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000245597412 510028184 /nfs/dbraw/zinc/02/81/84/510028184.db2.gz NOZHCLJBAMDXJM-CWFSZBLJSA-N 1 0 355.438 2.881 20 5 FFBDRO CCc1ccc([C@@H]2C[NH2+]CCN2C(=O)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000261699217 510032553 /nfs/dbraw/zinc/03/25/53/510032553.db2.gz JOJNDYQVGBMMNX-IBGZPJMESA-N 1 0 353.422 2.873 20 5 FFBDRO COC(=O)[C@H](O)C1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000180670681 510046822 /nfs/dbraw/zinc/04/68/22/510046822.db2.gz CBRPZZDSDLFDJL-GOSISDBHSA-N 1 0 374.393 2.601 20 5 FFBDRO O=C(CNc1ccccc1[N+](=O)[O-])N1CC[NH2+]C[C@@H]1c1cccc(Cl)c1 ZINC000261875553 510097482 /nfs/dbraw/zinc/09/74/82/510097482.db2.gz UBWBZKZHCRNUJK-QGZVFWFLSA-N 1 0 374.828 2.833 20 5 FFBDRO COc1cc(CN(CC[NH3+])CCc2ccccc2)c([N+](=O)[O-])cc1OC ZINC000261940826 510123949 /nfs/dbraw/zinc/12/39/49/510123949.db2.gz DQNSHHOBBIXGCA-UHFFFAOYSA-N 1 0 359.426 2.615 20 5 FFBDRO CCc1ccc([C@H]2C[NH2+]CCN2C(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000261958702 510129074 /nfs/dbraw/zinc/12/90/74/510129074.db2.gz MEAHXMBICACDMB-LJQANCHMSA-N 1 0 353.422 2.873 20 5 FFBDRO C[C@H](NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)[C@@H](c1ccccc1)[NH+](C)C ZINC000187220160 510132474 /nfs/dbraw/zinc/13/24/74/510132474.db2.gz ZDGZOABKHBGRNU-SJCJKPOMSA-N 1 0 371.393 2.745 20 5 FFBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000174483957 510136202 /nfs/dbraw/zinc/13/62/02/510136202.db2.gz ZGLUNMPBMODJLI-OAHLLOKOSA-N 1 0 360.458 2.609 20 5 FFBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)NCc3cc([N+](=O)[O-])ccc3Cl)CC[C@H]21 ZINC000268936686 510146585 /nfs/dbraw/zinc/14/65/85/510146585.db2.gz OYIYIXGCKYHACO-MLGOLLRUSA-N 1 0 366.849 2.874 20 5 FFBDRO O=C(NCCNc1ccccc1[N+](=O)[O-])[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000177612780 510160696 /nfs/dbraw/zinc/16/06/96/510160696.db2.gz QALQTFSUYHSXFB-HNNXBMFYSA-N 1 0 360.458 2.778 20 5 FFBDRO Nc1cccc([N+](=O)[O-])c1C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000180921313 510183256 /nfs/dbraw/zinc/18/32/56/510183256.db2.gz MAQWXAJUNJDAIO-UHFFFAOYSA-N 1 0 354.410 2.703 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@]3(CO)CCOC3)o2)c(Cl)c1 ZINC000184194811 510185795 /nfs/dbraw/zinc/18/57/95/510185795.db2.gz PEMWOVWNXNYXTH-INIZCTEOSA-N 1 0 352.774 2.749 20 5 FFBDRO O=C(c1cc2ccccc2c2cccnc12)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262137504 510188872 /nfs/dbraw/zinc/18/88/72/510188872.db2.gz XMZYBEUKVOYJDU-KRWDZBQOSA-N 1 0 360.461 2.508 20 5 FFBDRO C[C@@H]([NH2+][C@@H](C)C(=O)NC(=O)Nc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000194057170 510196474 /nfs/dbraw/zinc/19/64/74/510196474.db2.gz RYBFASUNDBTRTK-OLZOCXBDSA-N 1 0 356.382 2.982 20 5 FFBDRO C[N@H+](CC1(O)CCCCCC1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000187334775 510202986 /nfs/dbraw/zinc/20/29/86/510202986.db2.gz GMBOROZRGHIBRZ-QGZVFWFLSA-N 1 0 361.442 2.717 20 5 FFBDRO O=C(c1ccccc1)N1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000194137263 510233148 /nfs/dbraw/zinc/23/31/48/510233148.db2.gz ZONAVUPGKRJEEL-UHFFFAOYSA-N 1 0 353.422 2.985 20 5 FFBDRO CCc1oc2ccccc2c1C[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174693827 510255511 /nfs/dbraw/zinc/25/55/11/510255511.db2.gz ZJVRHAOEABHOID-AWEZNQCLSA-N 1 0 358.398 2.593 20 5 FFBDRO C[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(C(F)(F)F)cc1 ZINC000174724132 510271881 /nfs/dbraw/zinc/27/18/81/510271881.db2.gz NGXRBFMVAKTIAG-QMTHXVAHSA-N 1 0 358.320 2.522 20 5 FFBDRO C[NH+](C)CCN(Cc1ccccc1)C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000181106734 510278140 /nfs/dbraw/zinc/27/81/40/510278140.db2.gz OJVCHJWLKDIEIL-UHFFFAOYSA-N 1 0 371.393 2.528 20 5 FFBDRO CC(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)cc1 ZINC000262536231 510310723 /nfs/dbraw/zinc/31/07/23/510310723.db2.gz BEPRMEYOIHSFSI-HNNXBMFYSA-N 1 0 360.389 2.869 20 5 FFBDRO C[C@H](CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)[N@H+](C)Cc1ccccc1 ZINC000181228521 510311487 /nfs/dbraw/zinc/31/14/87/510311487.db2.gz MWEOAZPNIUBPAL-CYBMUJFWSA-N 1 0 371.393 2.574 20 5 FFBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](C[C@H](O)COc3ccccc3)CC2)cc1 ZINC000174802344 510319707 /nfs/dbraw/zinc/31/97/07/510319707.db2.gz OSGHTEAUTRCOQW-KRWDZBQOSA-N 1 0 372.421 2.878 20 5 FFBDRO Cc1cc(NC(=O)CC[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)no1 ZINC000174802405 510320361 /nfs/dbraw/zinc/32/03/61/510320361.db2.gz MDFZWPMFPMHDSU-UHFFFAOYSA-N 1 0 374.397 2.763 20 5 FFBDRO CC(C)c1n[nH]c(C(=O)NC[C@H](c2cccs2)[NH+](C)C)c1[N+](=O)[O-] ZINC000269316653 510337171 /nfs/dbraw/zinc/33/71/71/510337171.db2.gz HMEYADBZQZGFOQ-SNVBAGLBSA-N 1 0 351.432 2.536 20 5 FFBDRO COC[C@H]([NH2+]CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1ccco1 ZINC000184549803 510382781 /nfs/dbraw/zinc/38/27/81/510382781.db2.gz FQGYAOAYDBBFGT-AWEZNQCLSA-N 1 0 363.370 2.502 20 5 FFBDRO CC(C)c1n[nH]c(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000269500622 510438032 /nfs/dbraw/zinc/43/80/32/510438032.db2.gz YZNNMEUJDBGTSA-OAHLLOKOSA-N 1 0 371.441 2.836 20 5 FFBDRO Nc1c(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000178146416 510457080 /nfs/dbraw/zinc/45/70/80/510457080.db2.gz NJUUJGJPMWFCAN-UHFFFAOYSA-N 1 0 354.410 2.571 20 5 FFBDRO Cn1cccc1[C@@H]1CCCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000175116217 510489453 /nfs/dbraw/zinc/48/94/53/510489453.db2.gz DDDWLHPUNDTHLB-LPHOPBHVSA-N 1 0 359.426 2.900 20 5 FFBDRO CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)C1 ZINC000175163553 510512426 /nfs/dbraw/zinc/51/24/26/510512426.db2.gz KJMJLFYWWZVOSO-OAHLLOKOSA-N 1 0 369.487 2.564 20 5 FFBDRO CC(C)(COc1ncccc1C(F)(F)F)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000181653978 510523469 /nfs/dbraw/zinc/52/34/69/510523469.db2.gz GTNRMIJOBXYXBA-UHFFFAOYSA-N 1 0 373.335 2.652 20 5 FFBDRO C[C@H](CC[NH+]1CCN(C)CC1)Nc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000184828260 510535122 /nfs/dbraw/zinc/53/51/22/510535122.db2.gz SNWIGLQBPDTSIX-GFCCVEGCSA-N 1 0 358.389 2.634 20 5 FFBDRO Cc1ccccc1[C@@H](C)[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000178338555 510554173 /nfs/dbraw/zinc/55/41/73/510554173.db2.gz FCULOKTVYKZFKA-CQSZACIVSA-N 1 0 363.439 2.532 20 5 FFBDRO CCC[C@]1(COC)CCC[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000194927836 510594630 /nfs/dbraw/zinc/59/46/30/510594630.db2.gz YEONQQICJSZRAO-LJQANCHMSA-N 1 0 361.442 2.765 20 5 FFBDRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000188256802 510671773 /nfs/dbraw/zinc/67/17/73/510671773.db2.gz BRHJQNBCIAXGFV-UHFFFAOYSA-N 1 0 368.437 2.914 20 5 FFBDRO Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000178642107 510700875 /nfs/dbraw/zinc/70/08/75/510700875.db2.gz FGJBDCZMZPSJSM-AWEZNQCLSA-N 1 0 363.439 2.532 20 5 FFBDRO COC(=O)[C@H]1CCCC[C@@]1(C)[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000270366335 510780316 /nfs/dbraw/zinc/78/03/16/510780316.db2.gz AOXGEDLMVXBRAQ-RDTXWAMCSA-N 1 0 374.397 2.856 20 5 FFBDRO CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000172541811 510781387 /nfs/dbraw/zinc/78/13/87/510781387.db2.gz YZQUDROFSWJNQW-SNVBAGLBSA-N 1 0 356.220 2.571 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000182193841 510807078 /nfs/dbraw/zinc/80/70/78/510807078.db2.gz LDQAQDAADJNGLO-SFHVURJKSA-N 1 0 370.405 2.829 20 5 FFBDRO C[C@@H](CCNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)[NH+]1CCCCC1 ZINC000182222710 510821615 /nfs/dbraw/zinc/82/16/15/510821615.db2.gz VWYYLMKZZZRACS-HNNXBMFYSA-N 1 0 371.441 2.775 20 5 FFBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)cc1 ZINC000182311876 510848361 /nfs/dbraw/zinc/84/83/61/510848361.db2.gz MPVIXGWEYHLVJE-LBPRGKRZSA-N 1 0 357.366 2.921 20 5 FFBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000182310683 510848725 /nfs/dbraw/zinc/84/87/25/510848725.db2.gz TXYPQWZVIARCMB-LLVKDONJSA-N 1 0 369.874 2.941 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)[C@@H](C)C1 ZINC000247259812 510854414 /nfs/dbraw/zinc/85/44/14/510854414.db2.gz DYWIUZWJTYFHGC-KSSFIOAISA-N 1 0 371.441 2.583 20 5 FFBDRO Cn1cc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000247260224 510854555 /nfs/dbraw/zinc/85/45/55/510854555.db2.gz XPECEGDJMIGYJN-LPHOPBHVSA-N 1 0 369.469 2.911 20 5 FFBDRO CC[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(OC)c(OC)c1 ZINC000285369268 510879481 /nfs/dbraw/zinc/87/94/81/510879481.db2.gz FSESOMZBXRSLOE-HNNXBMFYSA-N 1 0 373.409 2.952 20 5 FFBDRO C[C@H]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)[C@@H](C)[C@H]1[NH3+] ZINC000297281477 510884511 /nfs/dbraw/zinc/88/45/11/510884511.db2.gz BXNBLIGXVYBADF-UPFKWVMWSA-N 1 0 374.210 2.694 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000285415683 510897556 /nfs/dbraw/zinc/89/75/56/510897556.db2.gz DIMAHPCRGTWKSC-RDJZCZTQSA-N 1 0 360.458 2.790 20 5 FFBDRO CCOC1CC2(C1)CC[N@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])C2 ZINC000285490835 510927702 /nfs/dbraw/zinc/92/77/02/510927702.db2.gz MHHDXJSKQXEVHG-UHFFFAOYSA-N 1 0 350.415 2.873 20 5 FFBDRO CS(=O)(=O)C1(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCCC1 ZINC000285584626 510967086 /nfs/dbraw/zinc/96/70/86/510967086.db2.gz HMORTCVYXYCLNO-MRXNPFEDSA-N 1 0 352.456 2.919 20 5 FFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCCc2nn(C)cc21 ZINC000282421201 510969874 /nfs/dbraw/zinc/96/98/74/510969874.db2.gz LTKNAZFOEWYDFV-MLGOLLRUSA-N 1 0 357.414 2.713 20 5 FFBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000361067451 510988061 /nfs/dbraw/zinc/98/80/61/510988061.db2.gz NADYXNLPAFHAKC-WDEREUQCSA-N 1 0 355.341 2.553 20 5 FFBDRO C[NH+](C)CCn1nccc1NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000294262122 511006442 /nfs/dbraw/zinc/00/64/42/511006442.db2.gz YRATVEICALIPQH-UHFFFAOYSA-N 1 0 371.319 2.624 20 5 FFBDRO Cc1c(NC(=O)CC[N@@H+]2CCC[C@H](c3ccncn3)C2)cccc1[N+](=O)[O-] ZINC000361652378 511074012 /nfs/dbraw/zinc/07/40/12/511074012.db2.gz LRHVKCNGMVBKEC-HNNXBMFYSA-N 1 0 369.425 2.901 20 5 FFBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000271127074 511090902 /nfs/dbraw/zinc/09/09/02/511090902.db2.gz PHTAYJIRZSITNS-CQSZACIVSA-N 1 0 371.441 2.633 20 5 FFBDRO CC(C)[NH+]1CCN(C2CCN(c3cccc(F)c3[N+](=O)[O-])CC2)CC1 ZINC000361799797 511096609 /nfs/dbraw/zinc/09/66/09/511096609.db2.gz RUGSLKVIUDUKKT-UHFFFAOYSA-N 1 0 350.438 2.729 20 5 FFBDRO CC(C)C[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)CC1 ZINC000279492288 511103352 /nfs/dbraw/zinc/10/33/52/511103352.db2.gz RRKGKUVRSMKANO-UHFFFAOYSA-N 1 0 366.437 2.650 20 5 FFBDRO Cn1cc(CN2CC[NH+](C3CCC3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000271166330 511103993 /nfs/dbraw/zinc/10/39/93/511103993.db2.gz HJGGNDVDQPUDKH-UHFFFAOYSA-N 1 0 355.442 2.665 20 5 FFBDRO C[C@@H](O)C[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000279716831 511188512 /nfs/dbraw/zinc/18/85/12/511188512.db2.gz INFUBNLXAWDBFO-OLZOCXBDSA-N 1 0 353.394 2.688 20 5 FFBDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000365006291 511202528 /nfs/dbraw/zinc/20/25/28/511202528.db2.gz VTTWMPAVRRAUPO-MRXNPFEDSA-N 1 0 354.410 2.524 20 5 FFBDRO CCOC1(C)CC[NH+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000298281915 511234438 /nfs/dbraw/zinc/23/44/38/511234438.db2.gz OOKWWOPFANLXPL-UHFFFAOYSA-N 1 0 365.430 2.823 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000294968325 511238050 /nfs/dbraw/zinc/23/80/50/511238050.db2.gz NBWUTBOXBWTPRN-PBHICJAKSA-N 1 0 361.442 2.746 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000294968339 511238385 /nfs/dbraw/zinc/23/83/85/511238385.db2.gz NBWUTBOXBWTPRN-YOEHRIQHSA-N 1 0 361.442 2.746 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000298327322 511246867 /nfs/dbraw/zinc/24/68/67/511246867.db2.gz RELLLHJUVUDSTI-ZBFHGGJFSA-N 1 0 369.368 2.909 20 5 FFBDRO COc1cc(C(=O)NC2CC[NH+](C3CCCC3)CC2)c([N+](=O)[O-])cc1F ZINC000295382904 511385622 /nfs/dbraw/zinc/38/56/22/511385622.db2.gz SNCNKQVFMYDPRO-UHFFFAOYSA-N 1 0 365.405 2.879 20 5 FFBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000280558390 511510951 /nfs/dbraw/zinc/51/09/51/511510951.db2.gz UTOULCANDSLATP-XHDPSFHLSA-N 1 0 369.824 2.873 20 5 FFBDRO C[C@H](NC(=O)CC1([NH+]2CCOCC2)CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000295785285 511514780 /nfs/dbraw/zinc/51/47/80/511514780.db2.gz YLIQALSZTCQSJA-HNNXBMFYSA-N 1 0 361.442 2.807 20 5 FFBDRO COc1ccc(C[NH+]2CCC(CNc3c([N+](=O)[O-])ncn3C)CC2)cc1 ZINC000299289298 511579593 /nfs/dbraw/zinc/57/95/93/511579593.db2.gz CPVPLBFFJLZJDB-UHFFFAOYSA-N 1 0 359.430 2.661 20 5 FFBDRO Cc1c(NC(=O)N2CCC[N@@H+](C)CC2)cc(Br)cc1[N+](=O)[O-] ZINC000280814963 511613126 /nfs/dbraw/zinc/61/31/26/511613126.db2.gz SRJKYDLIRXRLHT-UHFFFAOYSA-N 1 0 371.235 2.835 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000363582748 511640475 /nfs/dbraw/zinc/64/04/75/511640475.db2.gz KFJDCFBVTZACGN-ZDUSSCGKSA-N 1 0 373.413 2.535 20 5 FFBDRO CCOCCC[N@@H+]1CC[C@H](N[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000284217794 511646693 /nfs/dbraw/zinc/64/66/93/511646693.db2.gz TUDLWNLDNCTKQN-RKVPGOIHSA-N 1 0 364.490 2.965 20 5 FFBDRO O=C(c1cc(N2CCC[N@@H+]3CCC[C@@H]3C2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000363636491 511671900 /nfs/dbraw/zinc/67/19/00/511671900.db2.gz BXCCSGVQVFTAAW-MRXNPFEDSA-N 1 0 358.442 2.505 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000296262967 511676016 /nfs/dbraw/zinc/67/60/16/511676016.db2.gz OFVZXKUHFOYFDO-BMGDILEWSA-N 1 0 359.426 2.779 20 5 FFBDRO COC(=O)c1oc([C@H](C)[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1C ZINC000365845806 511683916 /nfs/dbraw/zinc/68/39/16/511683916.db2.gz JTJRZWFITLYFMA-LBPRGKRZSA-N 1 0 362.386 2.877 20 5 FFBDRO CC1(C)[C@H]([NH2+]CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])[C@H]2CCO[C@@H]21 ZINC000296489506 511764733 /nfs/dbraw/zinc/76/47/33/511764733.db2.gz YTAMZCBXMWCUBY-KMUNFCNLSA-N 1 0 353.806 2.590 20 5 FFBDRO O=C1N[C@H]2CC[N@@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)C[C@@H]2CO1 ZINC000281268263 511782119 /nfs/dbraw/zinc/78/21/19/511782119.db2.gz NONJMLLWTTXKGT-DOMZBBRYSA-N 1 0 357.366 2.785 20 5 FFBDRO CC(C)(CCC(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1)[N+](=O)[O-] ZINC000296590629 511809739 /nfs/dbraw/zinc/80/97/39/511809739.db2.gz FLPRUHGULRHLLT-INIZCTEOSA-N 1 0 365.499 2.556 20 5 FFBDRO O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc([N+](=O)[O-])cn1 ZINC000363871244 511820783 /nfs/dbraw/zinc/82/07/83/511820783.db2.gz AQIFNVZBWZQERG-ZDUSSCGKSA-N 1 0 360.439 2.693 20 5 FFBDRO COc1ccc(OCC[NH+]2CCC3(CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000284739175 511846972 /nfs/dbraw/zinc/84/69/72/511846972.db2.gz KPTOYVLSQNYSHJ-UHFFFAOYSA-N 1 0 350.415 2.875 20 5 FFBDRO COc1cc(C[NH2+][C@@H](C)CNC(=O)OC(C)(C)C)c([N+](=O)[O-])cc1OC ZINC000296799371 511902899 /nfs/dbraw/zinc/90/28/99/511902899.db2.gz MMKBXHPJYBKQRG-NSHDSACASA-N 1 0 369.418 2.615 20 5 FFBDRO COc1cccc(CN(C)C(=O)C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000296850663 511922926 /nfs/dbraw/zinc/92/29/26/511922926.db2.gz YAVWOVSRGNQRRW-AWEZNQCLSA-N 1 0 357.410 2.913 20 5 FFBDRO Cc1cc(N2CCC[C@H]([NH2+][C@H](C)c3ccc(N)c([N+](=O)[O-])c3)C2)n(C)n1 ZINC000284926108 511930620 /nfs/dbraw/zinc/93/06/20/511930620.db2.gz DHNYFQAZJXGZNU-HIFRSBDPSA-N 1 0 358.446 2.539 20 5 FFBDRO COc1cc(Cc2noc(C34CCC[NH+]3CCC4)n2)c([N+](=O)[O-])c(OC)c1 ZINC000351210212 511983795 /nfs/dbraw/zinc/98/37/95/511983795.db2.gz GKEFDJZTVMHYEH-UHFFFAOYSA-N 1 0 374.397 2.671 20 5 FFBDRO C[N@@H+]1CCCC[C@H]1CN1CCN(c2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000297143049 512035710 /nfs/dbraw/zinc/03/57/10/512035710.db2.gz NTMSYWZUSXDQFB-SFHVURJKSA-N 1 0 369.469 2.749 20 5 FFBDRO CS[C@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@H]1[NH+]1CCCC1 ZINC000275146477 512055769 /nfs/dbraw/zinc/05/57/69/512055769.db2.gz XVJASTLLWMEBHM-HOCLYGCPSA-N 1 0 362.455 2.748 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCCC[C@H]2c2nc3ccccc3o2)c1 ZINC000360037883 512065549 /nfs/dbraw/zinc/06/55/49/512065549.db2.gz SEHBFYYRSKOHCV-ZBFHGGJFSA-N 1 0 371.397 2.521 20 5 FFBDRO Cc1csc(C2([NH2+]C[C@@H](O)COc3cccc([N+](=O)[O-])c3)CCC2)n1 ZINC000275180258 512066076 /nfs/dbraw/zinc/06/60/76/512066076.db2.gz NADHZBZQWLILMG-CQSZACIVSA-N 1 0 363.439 2.768 20 5 FFBDRO Cc1nc2sccn2c(=O)c1CC[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000285310789 512073429 /nfs/dbraw/zinc/07/34/29/512073429.db2.gz MVLNUKQFWFLNMB-UHFFFAOYSA-N 1 0 372.450 2.690 20 5 FFBDRO COc1cc(C[NH2+][C@@H]2CCC[C@H]2CCO)c([N+](=O)[O-])cc1OCC(F)F ZINC000275229748 512081624 /nfs/dbraw/zinc/08/16/24/512081624.db2.gz JAXZMTSBTCEMCK-WCQYABFASA-N 1 0 374.384 2.888 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000366609225 512101709 /nfs/dbraw/zinc/10/17/09/512101709.db2.gz PDKQQVORSQPGPW-CQSZACIVSA-N 1 0 357.414 2.909 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCS[C@@H](C)[C@H]1C ZINC000411283469 512562007 /nfs/dbraw/zinc/56/20/07/512562007.db2.gz YWDDEOAGNFFLQC-NEPJUHHUSA-N 1 0 353.444 2.758 20 5 FFBDRO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H]2CSC)c([N+](=O)[O-])c1 ZINC000411318125 512578253 /nfs/dbraw/zinc/57/82/53/512578253.db2.gz DHEHHBVNLFXBAO-GFCCVEGCSA-N 1 0 353.444 2.759 20 5 FFBDRO CSc1ccc(C(=O)NCCc2cn3c(n2)CCCC3)cc1[N+](=O)[O-] ZINC000373945825 512585215 /nfs/dbraw/zinc/58/52/15/512585215.db2.gz UCHBPERXISFBIL-UHFFFAOYSA-N 1 0 360.439 2.822 20 5 FFBDRO CC(=O)c1cc(N2CCC(CC[NH+]3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000367641457 512595635 /nfs/dbraw/zinc/59/56/35/512595635.db2.gz FTVHZCLHACQUNW-UHFFFAOYSA-N 1 0 361.442 2.736 20 5 FFBDRO Cc1c(F)cccc1NC(=O)CC[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000411478507 512655411 /nfs/dbraw/zinc/65/54/11/512655411.db2.gz KQJWTHXTARGXAW-UHFFFAOYSA-N 1 0 358.373 2.824 20 5 FFBDRO O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccc([N+](=O)[O-])cn1 ZINC000372010479 512677399 /nfs/dbraw/zinc/67/73/99/512677399.db2.gz ORWPZRJOYMDHMJ-ALOPSCKCSA-N 1 0 366.421 2.915 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@@H](c3ccc(F)cc3)CC2)c1 ZINC000378491498 512787192 /nfs/dbraw/zinc/78/71/92/512787192.db2.gz GXSVOIRQMMANJA-KDOFPFPSSA-N 1 0 362.405 2.561 20 5 FFBDRO Cn1ccnc1[C@H](N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000378563072 512825836 /nfs/dbraw/zinc/82/58/36/512825836.db2.gz RPNPHXGVQGCEDT-RYQLBKOJSA-N 1 0 355.442 2.634 20 5 FFBDRO O=C(CC[N@H+]1CC[C@](CO)(c2ccccc2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000368262186 512870000 /nfs/dbraw/zinc/87/00/00/512870000.db2.gz WLHONXZMTAIFCH-FQEVSTJZSA-N 1 0 369.421 2.559 20 5 FFBDRO COc1ccc(OCC[N@@H+]2C[C@H](O)C[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000411949316 512885621 /nfs/dbraw/zinc/88/56/21/512885621.db2.gz QKBABSOVNRSZHP-WBVHZDCISA-N 1 0 358.394 2.790 20 5 FFBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3N3CCCCC3)C[C@H]21 ZINC000374602239 512911538 /nfs/dbraw/zinc/91/15/38/512911538.db2.gz HLSSJRHCQXKQFO-ZTFGCOKTSA-N 1 0 372.469 2.785 20 5 FFBDRO C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000412017524 512913497 /nfs/dbraw/zinc/91/34/97/512913497.db2.gz ZVXFYNROHFGSCH-GBESFXJTSA-N 1 0 358.442 2.810 20 5 FFBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)C[C@@H]21 ZINC000374625357 512923380 /nfs/dbraw/zinc/92/33/80/512923380.db2.gz SSHGHRKQBQAXRO-AEGPPILISA-N 1 0 372.450 2.918 20 5 FFBDRO C[C@@H](NC(=O)c1c(N)cccc1[N+](=O)[O-])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000374797685 513009261 /nfs/dbraw/zinc/00/92/61/513009261.db2.gz FUSIWKIWWUYVAW-GDBMZVCRSA-N 1 0 368.437 2.817 20 5 FFBDRO CC(C)Oc1cc(C(=O)NCC2CC[NH+](C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000412291435 513026704 /nfs/dbraw/zinc/02/67/04/513026704.db2.gz KNLMEINZDRZXBM-UHFFFAOYSA-N 1 0 361.442 2.986 20 5 FFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000374865751 513044925 /nfs/dbraw/zinc/04/49/25/513044925.db2.gz SMBUCWNPFOYTFH-YOEHRIQHSA-N 1 0 368.437 2.939 20 5 FFBDRO Cc1cn2c(n1)[C@@H](C[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)CCC2 ZINC000370682475 513050996 /nfs/dbraw/zinc/05/09/96/513050996.db2.gz NYULXZCHNKKASJ-UKRRQHHQSA-N 1 0 371.441 2.984 20 5 FFBDRO COc1cc(C[N@@H+]2CC[C@H](C3CCOCC3)C2)c([N+](=O)[O-])cc1OC ZINC000370722207 513070036 /nfs/dbraw/zinc/07/00/36/513070036.db2.gz SGHPPXFKXZSJKB-AWEZNQCLSA-N 1 0 350.415 2.861 20 5 FFBDRO CN(CC(=O)Nc1ccc(C[NH+](C)C)cc1F)c1ccccc1[N+](=O)[O-] ZINC000412557787 513161297 /nfs/dbraw/zinc/16/12/97/513161297.db2.gz JNCACNFYAJGQGT-UHFFFAOYSA-N 1 0 360.389 2.870 20 5 FFBDRO C[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])Cc2ccccc2O1 ZINC000429140481 513289738 /nfs/dbraw/zinc/28/97/38/513289738.db2.gz ZLRRLQCJKISWIF-ZBFHGGJFSA-N 1 0 358.394 2.618 20 5 FFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000434422802 513320446 /nfs/dbraw/zinc/32/04/46/513320446.db2.gz BTXUNJJPXFDNRU-HNNXBMFYSA-N 1 0 351.834 2.924 20 5 FFBDRO C[C@@]1(c2ccccc2)CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000446724217 513324668 /nfs/dbraw/zinc/32/46/68/513324668.db2.gz YOYRUSUELMFLGY-AZUAARDMSA-N 1 0 356.422 2.998 20 5 FFBDRO C[C@H]1CCN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000418002626 513328633 /nfs/dbraw/zinc/32/86/33/513328633.db2.gz YYXZFUOOPXMMTC-FZMZJTMJSA-N 1 0 354.838 2.560 20 5 FFBDRO O=C(C[NH2+][C@H]1Cc2cccc(O)c2C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000429319796 513340154 /nfs/dbraw/zinc/34/01/54/513340154.db2.gz VTFHIFSGSYMAAI-NSHDSACASA-N 1 0 361.785 2.649 20 5 FFBDRO C[NH2+]C[C@H]1CCCN1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000415658178 513366148 /nfs/dbraw/zinc/36/61/48/513366148.db2.gz NCDJTHLLCGSNQN-LLVKDONJSA-N 1 0 371.235 2.881 20 5 FFBDRO O=C(NCC[C@H]1CCC[NH2+]1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000418087213 513367657 /nfs/dbraw/zinc/36/76/57/513367657.db2.gz GHZLLDXCCXDMSU-GFCCVEGCSA-N 1 0 360.336 2.555 20 5 FFBDRO CC1(C)CCc2ccccc2[C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000440648880 513370093 /nfs/dbraw/zinc/37/00/93/513370093.db2.gz QNNLASJZJRWFHD-SJLPKXTDSA-N 1 0 358.442 2.846 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000421704667 513377261 /nfs/dbraw/zinc/37/72/61/513377261.db2.gz PJQANXNNQIGJQR-WCQYABFASA-N 1 0 355.822 2.568 20 5 FFBDRO C[C@H]1CCCN(c2ccc(C(=O)N(C)C[C@@H]3CCC[N@@H+]3C)cc2[N+](=O)[O-])C1 ZINC000421706637 513378382 /nfs/dbraw/zinc/37/83/82/513378382.db2.gz VINZUDIPRDGDCW-RDJZCZTQSA-N 1 0 374.485 2.997 20 5 FFBDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415689234 513381930 /nfs/dbraw/zinc/38/19/30/513381930.db2.gz CWMGPDHQKMZGNI-IUCAKERBSA-N 1 0 357.208 2.558 20 5 FFBDRO [NH3+]CC[C@@H]1CCCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000415699562 513387212 /nfs/dbraw/zinc/38/72/12/513387212.db2.gz JKTGZDXHBKKHCJ-JTQLQIEISA-N 1 0 371.235 2.950 20 5 FFBDRO C[C@]1(C[NH3+])CCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000415702141 513388029 /nfs/dbraw/zinc/38/80/29/513388029.db2.gz PALMTYXOYXNWLW-CYBMUJFWSA-N 1 0 357.208 2.560 20 5 FFBDRO C[C@H]1CN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000415699770 513388455 /nfs/dbraw/zinc/38/84/55/513388455.db2.gz KFURENKLJLZFEO-UFBFGSQYSA-N 1 0 357.208 2.558 20 5 FFBDRO C[C@@H]1CCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000415708077 513392604 /nfs/dbraw/zinc/39/26/04/513392604.db2.gz WSKZBGBMNULCIO-NXEZZACHSA-N 1 0 371.235 2.806 20 5 FFBDRO Cc1cc(C)c(S(=O)(=O)NCc2ccc([C@@H](C)[NH3+])cc2)cc1[N+](=O)[O-] ZINC000440765024 513400684 /nfs/dbraw/zinc/40/06/84/513400684.db2.gz WCGOWMFUCKPTEK-CYBMUJFWSA-N 1 0 363.439 2.710 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC(C[NH+]3CCOCC3)CC2)c2cccnc21 ZINC000413060623 513415888 /nfs/dbraw/zinc/41/58/88/513415888.db2.gz NQKRHMFNRBJZSA-UHFFFAOYSA-N 1 0 356.426 2.692 20 5 FFBDRO C[C@H](NC(=O)NC[C@@H]1[NH2+]CCc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000418234654 513435507 /nfs/dbraw/zinc/43/55/07/513435507.db2.gz QJYHQDJOBPUFFB-UGSOOPFHSA-N 1 0 354.410 2.842 20 5 FFBDRO CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c(C)cc2C)C[C@H]1[NH+]1CCCC1 ZINC000421806572 513439149 /nfs/dbraw/zinc/43/91/49/513439149.db2.gz ZULYNTNDKZGKRZ-SJORKVTESA-N 1 0 363.483 2.863 20 5 FFBDRO CC(C)(CO)[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000429701343 513444351 /nfs/dbraw/zinc/44/43/51/513444351.db2.gz KMXYUTAVVXGSLH-GOSISDBHSA-N 1 0 357.410 2.883 20 5 FFBDRO CC(C)(CO)[C@@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000429712568 513448560 /nfs/dbraw/zinc/44/85/60/513448560.db2.gz BZUICODRSDAQQM-HKUYNNGSSA-N 1 0 374.437 2.684 20 5 FFBDRO CN(C(=O)C[NH2+][C@@H](c1ccccc1)C(C)(C)CO)c1ccc([N+](=O)[O-])cc1 ZINC000429718783 513450463 /nfs/dbraw/zinc/45/04/63/513450463.db2.gz JUICCCMARPBENC-IBGZPJMESA-N 1 0 371.437 2.907 20 5 FFBDRO C[C@@H](c1ccncc1)[NH+]1CCC(Nc2cccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000425227798 513461975 /nfs/dbraw/zinc/46/19/75/513461975.db2.gz BBOJCYDKTWGHRT-ZDUSSCGKSA-N 1 0 369.425 2.726 20 5 FFBDRO C[NH2+]Cc1ccccc1NC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000415899801 513468371 /nfs/dbraw/zinc/46/83/71/513468371.db2.gz JYPJTPIFKAODBV-UHFFFAOYSA-N 1 0 369.425 2.668 20 5 FFBDRO COCC(C)(C)[NH+]1CCN(c2c3ccc(OC)cc3ncc2[N+](=O)[O-])CC1 ZINC000425273047 513486873 /nfs/dbraw/zinc/48/68/73/513486873.db2.gz AENHTBMAGZTANF-UHFFFAOYSA-N 1 0 374.441 2.699 20 5 FFBDRO COCC(C)(C)[NH+]1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000425275418 513488243 /nfs/dbraw/zinc/48/82/43/513488243.db2.gz FQWAXNVEDDOGDG-UHFFFAOYSA-N 1 0 359.373 2.743 20 5 FFBDRO O=C(Nc1ccc2c(c1F)CC[NH2+]C2)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000415954501 513498277 /nfs/dbraw/zinc/49/82/77/513498277.db2.gz KJMNEPMWADEMOJ-UHFFFAOYSA-N 1 0 370.384 2.970 20 5 FFBDRO Cc1cccc(OC[C@H](O)C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000447543214 513503408 /nfs/dbraw/zinc/50/34/08/513503408.db2.gz LDQVZRXBAMLMPK-KBAYOESNSA-N 1 0 374.441 2.613 20 5 FFBDRO CN(CCC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)CC(F)(F)F ZINC000447546379 513503631 /nfs/dbraw/zinc/50/36/31/513503631.db2.gz VJCXYWDMPDDIII-CHWSQXEVSA-N 1 0 363.384 2.749 20 5 FFBDRO C[C@@H](NC(=O)Nc1ccc2c(c1)C[NH2+]CCO2)c1cccc([N+](=O)[O-])c1 ZINC000415966932 513505662 /nfs/dbraw/zinc/50/56/62/513505662.db2.gz CLYPMPATGMMROP-GFCCVEGCSA-N 1 0 356.382 2.960 20 5 FFBDRO Cn1nccc1N1CCC[C@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000447567338 513509487 /nfs/dbraw/zinc/50/94/87/513509487.db2.gz ASNTVDAMYPUQKC-MAUKXSAKSA-N 1 0 355.442 2.964 20 5 FFBDRO C[NH+](C)C1CCC(NC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000422008778 513518828 /nfs/dbraw/zinc/51/88/28/513518828.db2.gz PTFWVGIZIXOCJI-UHFFFAOYSA-N 1 0 372.425 2.511 20 5 FFBDRO COc1ccc(COC[C@H](O)C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000451101806 513522951 /nfs/dbraw/zinc/52/29/51/513522951.db2.gz AGCMDYRRRMHXKA-KBXCAEBGSA-N 1 0 360.410 2.832 20 5 FFBDRO O=[N+]([O-])c1ccc(OC(F)F)c(CN2CCC[C@@H](n3ccnn3)C2)c1 ZINC000425349523 513523047 /nfs/dbraw/zinc/52/30/47/513523047.db2.gz KSKREJIWPWIJLM-CYBMUJFWSA-N 1 0 353.329 2.625 20 5 FFBDRO COCC[N@H+](C)CCCC1CCN(c2ncc([N+](=O)[O-])cc2F)CC1 ZINC000413215360 513525145 /nfs/dbraw/zinc/52/51/45/513525145.db2.gz AIRCFYWBPIWZDL-UHFFFAOYSA-N 1 0 354.426 2.704 20 5 FFBDRO CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425420515 513554984 /nfs/dbraw/zinc/55/49/84/513554984.db2.gz MQDSDBQEBRGTQA-LBPRGKRZSA-N 1 0 370.247 2.658 20 5 FFBDRO O=C1[C@@H]([NH+]2CCC3(CCC(O)CC3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000451154718 513556213 /nfs/dbraw/zinc/55/62/13/513556213.db2.gz NAXVTDZRUQMPOU-SFHVURJKSA-N 1 0 373.453 2.717 20 5 FFBDRO COc1cc(CN(C)[C@H](C)C[NH3+])ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000435377195 513568708 /nfs/dbraw/zinc/56/87/08/513568708.db2.gz YZYONDQQYXCGPI-CQSZACIVSA-N 1 0 359.426 2.961 20 5 FFBDRO CCOCCC[N@@H+]1CC[C@H](NCc2ccc([N+](=O)[O-])cc2OC)[C@@H](C)C1 ZINC000430201045 513586666 /nfs/dbraw/zinc/58/66/66/513586666.db2.gz BWBCISSAYLLLNN-YJBOKZPZSA-N 1 0 365.474 2.830 20 5 FFBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)c1 ZINC000435634959 513646046 /nfs/dbraw/zinc/64/60/46/513646046.db2.gz DNENSLWVKRKDIH-INIZCTEOSA-N 1 0 367.471 2.670 20 5 FFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](O)C[C@@H]1[C@H]1CCCOC1 ZINC000451295495 513659155 /nfs/dbraw/zinc/65/91/55/513659155.db2.gz DNSUSYFKQVRWJG-BMGDILEWSA-N 1 0 364.442 2.744 20 5 FFBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000448036420 513662213 /nfs/dbraw/zinc/66/22/13/513662213.db2.gz YAPMBEQFDOXGEE-KRWDZBQOSA-N 1 0 360.458 2.783 20 5 FFBDRO Cc1cc(OCC(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000430537037 513679001 /nfs/dbraw/zinc/67/90/01/513679001.db2.gz KDCWSOJKGAZDRL-INIZCTEOSA-N 1 0 371.437 2.919 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)NCC3([NH+](C)C)CC3)cc2[N+](=O)[O-])C1 ZINC000416288848 513693516 /nfs/dbraw/zinc/69/35/16/513693516.db2.gz ICRGYEAKLXGFLR-CQSZACIVSA-N 1 0 360.458 2.655 20 5 FFBDRO C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3)nc2)C1 ZINC000448176219 513699249 /nfs/dbraw/zinc/69/92/49/513699249.db2.gz CRNPBCLDMUUFOW-OAHLLOKOSA-N 1 0 373.388 2.522 20 5 FFBDRO C[C@@]12C[N@H+](CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000451360679 513700226 /nfs/dbraw/zinc/70/02/26/513700226.db2.gz FQIBKBPCPQMUSI-RPWFAHAXSA-N 1 0 353.422 2.628 20 5 FFBDRO CO[C@@]1(C)C[C@H]([NH2+]CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1(C)C ZINC000451483448 513777699 /nfs/dbraw/zinc/77/76/99/513777699.db2.gz FCRUNOBTXYMCNJ-BBRMVZONSA-N 1 0 355.822 2.980 20 5 FFBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H]2[C@H](C)[C@@H](OC)C2(C)C)c([N+](=O)[O-])c1 ZINC000451494861 513787319 /nfs/dbraw/zinc/78/73/19/513787319.db2.gz GWTIVXMGQKMPNS-YMRXKLBXSA-N 1 0 365.430 2.581 20 5 FFBDRO CO[C@@H]1[C@H](C)[C@H]([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1(C)C ZINC000451504423 513794304 /nfs/dbraw/zinc/79/43/04/513794304.db2.gz SELQYTWTOHZKBM-TURNYIBQSA-N 1 0 355.822 2.836 20 5 FFBDRO CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000451590966 513852722 /nfs/dbraw/zinc/85/27/22/513852722.db2.gz MNCQOHPTROWUBM-MAZHCROVSA-N 1 0 363.414 2.633 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2noc(C[NH2+][C@H]([C@H](CO)C3CC3)C3CC3)n2)c1 ZINC000451590866 513853482 /nfs/dbraw/zinc/85/34/82/513853482.db2.gz NBERCVKNNFKBRG-WBVHZDCISA-N 1 0 358.398 2.532 20 5 FFBDRO [NH3+]C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000422628675 513880890 /nfs/dbraw/zinc/88/08/90/513880890.db2.gz VBGBNOLGABTXFL-HNNXBMFYSA-N 1 0 352.394 2.699 20 5 FFBDRO CC(C)C[C@@H](C[NH+]1CCCC1)NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000451655510 513893561 /nfs/dbraw/zinc/89/35/61/513893561.db2.gz YGUVYAVNFSXIJO-INIZCTEOSA-N 1 0 369.487 2.525 20 5 FFBDRO C[C@H]1C[C@@H](NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000431493218 513911479 /nfs/dbraw/zinc/91/14/79/513911479.db2.gz AYTZPEXLFDBALX-CABZTGNLSA-N 1 0 356.220 2.570 20 5 FFBDRO NC(=O)CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCOc2ccccc21 ZINC000451709424 513929273 /nfs/dbraw/zinc/92/92/73/513929273.db2.gz BYANTPYMQMPNHQ-QGZVFWFLSA-N 1 0 355.394 2.796 20 5 FFBDRO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000422849991 513952589 /nfs/dbraw/zinc/95/25/89/513952589.db2.gz CPLYTEXOHNVGTJ-MEDUHNTESA-N 1 0 353.397 2.678 20 5 FFBDRO O=C(CCC(=O)N1CCC[C@H]([NH+]2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000448931259 513977769 /nfs/dbraw/zinc/97/77/69/513977769.db2.gz BJLCKHSYJZJXRB-KRWDZBQOSA-N 1 0 359.426 2.645 20 5 FFBDRO Cc1c(NC(=O)CC[N@@H+](C)[C@@H](CO)CC(C)(C)C)cccc1[N+](=O)[O-] ZINC000451783591 513978841 /nfs/dbraw/zinc/97/88/41/513978841.db2.gz SBNZDSWSMCFBPC-CQSZACIVSA-N 1 0 351.447 2.961 20 5 FFBDRO CCCC[NH+]1CCC(NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000448946452 513985894 /nfs/dbraw/zinc/98/58/94/513985894.db2.gz NXGWOLKOOBQNPU-UHFFFAOYSA-N 1 0 361.442 2.938 20 5 FFBDRO COc1cc(C(=O)N2CCC(C[NH+]3CCCC3)CC2)c([N+](=O)[O-])cc1F ZINC000448973675 514001762 /nfs/dbraw/zinc/00/17/62/514001762.db2.gz DMUBIFVHLDRUHJ-UHFFFAOYSA-N 1 0 365.405 2.691 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2csc(N3CC[NH+](C[C@H]4CCOC4)CC3)n2)cc1 ZINC000448979505 514005048 /nfs/dbraw/zinc/00/50/48/514005048.db2.gz IUJLOIUGQMDCHW-CQSZACIVSA-N 1 0 374.466 2.877 20 5 FFBDRO COc1cc(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])ccc1OCCO ZINC000449084355 514065723 /nfs/dbraw/zinc/06/57/23/514065723.db2.gz GVTMWGUWOVCFFM-CQSZACIVSA-N 1 0 360.410 2.695 20 5 FFBDRO COC(=O)C1CC[NH+](CCCNc2ccnc3c2cccc3[N+](=O)[O-])CC1 ZINC000432155065 514109561 /nfs/dbraw/zinc/10/95/61/514109561.db2.gz QWTVLSNRDARQSO-UHFFFAOYSA-N 1 0 372.425 2.830 20 5 FFBDRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000420386025 514119476 /nfs/dbraw/zinc/11/94/76/514119476.db2.gz UILVMZZKRCRUEF-DOTOQJQBSA-N 1 0 353.850 2.967 20 5 FFBDRO Cc1cc(C[NH+](C)C)ccc1NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000414456051 514127757 /nfs/dbraw/zinc/12/77/57/514127757.db2.gz GMMXQSJIXWHUJP-UHFFFAOYSA-N 1 0 363.439 2.907 20 5 FFBDRO C[N@H+](CCNC(=O)COc1ccc([N+](=O)[O-])c2cccnc12)C1CCCC1 ZINC000432488590 514208321 /nfs/dbraw/zinc/20/83/21/514208321.db2.gz GJMSYXUEOZZNHO-UHFFFAOYSA-N 1 0 372.425 2.512 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCC[NH2+]C1CCCCCC1 ZINC000417184965 514218150 /nfs/dbraw/zinc/21/81/50/514218150.db2.gz RMOSNJWOZGQGPU-UHFFFAOYSA-N 1 0 364.446 2.715 20 5 FFBDRO CC[N@H+](CCNC(=O)c1cccc(OC)c1[N+](=O)[O-])CCC(F)(F)F ZINC000444402692 514220320 /nfs/dbraw/zinc/22/03/20/514220320.db2.gz FEIUBQJMIBFAOR-UHFFFAOYSA-N 1 0 363.336 2.608 20 5 FFBDRO COCC(COC)[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000449542864 514249094 /nfs/dbraw/zinc/24/90/94/514249094.db2.gz NISWROHOQQWMNV-UHFFFAOYSA-N 1 0 350.371 2.614 20 5 FFBDRO CCOc1cc(NC(=O)N2CCC[C@@H]([NH2+]C)C2)c([N+](=O)[O-])cc1OCC ZINC000414751671 514274153 /nfs/dbraw/zinc/27/41/53/514274153.db2.gz AWLNRWPAAHVLTB-GFCCVEGCSA-N 1 0 366.418 2.608 20 5 FFBDRO CCOc1cc(NC(=O)N[C@H]2C[NH2+]CC[C@H]2C)c([N+](=O)[O-])cc1OCC ZINC000414752851 514274497 /nfs/dbraw/zinc/27/44/97/514274497.db2.gz CUJRORSDYJNCLB-YPMHNXCESA-N 1 0 366.418 2.512 20 5 FFBDRO COCc1nc2n(n1)C[C@H]([NH2+][C@H]1CCCCc3ccc([N+](=O)[O-])cc31)CC2 ZINC000417313439 514288522 /nfs/dbraw/zinc/28/85/22/514288522.db2.gz VZJDMBHSIUVPFX-PBHICJAKSA-N 1 0 371.441 2.705 20 5 FFBDRO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000423957978 514308413 /nfs/dbraw/zinc/30/84/13/514308413.db2.gz LYWHGWSXBSMKNV-IAGOWNOFSA-N 1 0 372.469 2.799 20 5 FFBDRO CN(CC(=O)N[C@@H](CCC[NH3+])c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000423962762 514310281 /nfs/dbraw/zinc/31/02/81/514310281.db2.gz FVJCPWKQRUPLGY-INIZCTEOSA-N 1 0 356.426 2.627 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000449698706 514311276 /nfs/dbraw/zinc/31/12/76/514311276.db2.gz OLDVXLPXOGKAEE-QMTHXVAHSA-N 1 0 355.822 2.520 20 5 FFBDRO C[C@H]1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000423990523 514325041 /nfs/dbraw/zinc/32/50/41/514325041.db2.gz CMLJEZODYWFPTE-QWRGUYRKSA-N 1 0 357.863 2.784 20 5 FFBDRO COC(=O)[C@@H]1C[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C[C@@H]1c1ccccc1 ZINC000449752404 514335736 /nfs/dbraw/zinc/33/57/36/514335736.db2.gz FLCCBPCRBFGKJY-IAGOWNOFSA-N 1 0 370.405 2.992 20 5 FFBDRO Cc1ccc(S(=O)(=O)Nc2ccccc2CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000438238802 514335985 /nfs/dbraw/zinc/33/59/85/514335985.db2.gz UYRVDBILDRWPOJ-UHFFFAOYSA-N 1 0 363.439 2.808 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432983613 514342265 /nfs/dbraw/zinc/34/22/65/514342265.db2.gz KBAZXPWJRFDEJX-CQSZACIVSA-N 1 0 350.419 2.526 20 5 FFBDRO COc1cc(CN[C@H]2CC[NH2+]C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000414893820 514345431 /nfs/dbraw/zinc/34/54/31/514345431.db2.gz ZOHAQWDGVQXVSV-INIZCTEOSA-N 1 0 357.410 2.634 20 5 FFBDRO COc1cc(CNC[C@]2(C)CCC[NH2+]C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000414898278 514346288 /nfs/dbraw/zinc/34/62/88/514346288.db2.gz BBSMDACIMIAHED-QGZVFWFLSA-N 1 0 373.400 2.727 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCO[C@H](c2nccn2C)C1 ZINC000449779147 514349597 /nfs/dbraw/zinc/34/95/97/514349597.db2.gz XMIXWSREEMWQEU-YOEHRIQHSA-N 1 0 360.414 2.737 20 5 FFBDRO COc1cc(CN[C@@H]2CCC[C@@H]([NH3+])C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000414907064 514349974 /nfs/dbraw/zinc/34/99/74/514349974.db2.gz AIGRMUCGXLKWDZ-VXGBXAGGSA-N 1 0 359.373 2.607 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)c1 ZINC000424033000 514350455 /nfs/dbraw/zinc/35/04/55/514350455.db2.gz WXQCWZJDDSJXLZ-DOTOQJQBSA-N 1 0 373.384 2.700 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)C[C@@H](O)Cc1ccccc1 ZINC000433061604 514365823 /nfs/dbraw/zinc/36/58/23/514365823.db2.gz PQFGRPFPDBWVKO-SFHVURJKSA-N 1 0 371.437 2.767 20 5 FFBDRO Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc([C@H](C)[NH3+])cc2)cc1[N+](=O)[O-] ZINC000414951837 514372147 /nfs/dbraw/zinc/37/21/47/514372147.db2.gz QEVWPCWCKLKKOY-QWHCGFSZSA-N 1 0 370.409 2.739 20 5 FFBDRO C[C@@H](NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12)C(C)(C)C[NH+](C)C ZINC000428017135 514375249 /nfs/dbraw/zinc/37/52/49/514375249.db2.gz LFWNVSUBXXKNHQ-CYBMUJFWSA-N 1 0 374.441 2.614 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000420948799 514397492 /nfs/dbraw/zinc/39/74/92/514397492.db2.gz OFFBVIJLQQBHDI-CHWSQXEVSA-N 1 0 362.348 2.999 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C[C@@H]1C ZINC000449968955 514446276 /nfs/dbraw/zinc/44/62/76/514446276.db2.gz CKIGKHBGWRNEDT-XJKSGUPXSA-N 1 0 371.441 2.930 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)[C@@H](C)C1 ZINC000449990727 514456084 /nfs/dbraw/zinc/45/60/84/514456084.db2.gz XCZKLNOJLSTKLW-GOEBONIOSA-N 1 0 371.441 2.583 20 5 FFBDRO C[C@@H](NC(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12)c1cccc([N+](=O)[O-])c1 ZINC000438874114 514456663 /nfs/dbraw/zinc/45/66/63/514456663.db2.gz CEPADDMLSTUZKZ-PXAZEXFGSA-N 1 0 352.394 2.823 20 5 FFBDRO COc1cc(CN2CC[C@H](C)[C@@H](C[NH3+])C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000415132386 514458289 /nfs/dbraw/zinc/45/82/89/514458289.db2.gz UCNCEBFSJDLQEB-AAEUAGOBSA-N 1 0 373.400 2.664 20 5 FFBDRO CCN1CC[NH+](C[C@H](C)CNc2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000450262391 514570782 /nfs/dbraw/zinc/57/07/82/514570782.db2.gz MYTWWYJPKABOGK-OAHLLOKOSA-N 1 0 357.458 2.829 20 5 FFBDRO C[C@@H]([NH2+]CCn1cc(Br)ccc1=O)c1ccc([N+](=O)[O-])cc1 ZINC000453241625 514575607 /nfs/dbraw/zinc/57/56/07/514575607.db2.gz DPVPNRAVYBHJEU-LLVKDONJSA-N 1 0 366.215 2.870 20 5 FFBDRO CC[NH+](CC)[C@@H](CNC(=O)CCn1cc([N+](=O)[O-])nc1C)c1ccccc1 ZINC000497693932 514599492 /nfs/dbraw/zinc/59/94/92/514599492.db2.gz NBKYIBPLPRWJLT-KRWDZBQOSA-N 1 0 373.457 2.689 20 5 FFBDRO COc1cc(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000475322091 514618948 /nfs/dbraw/zinc/61/89/48/514618948.db2.gz ZLPGCZZRRRIZPX-KRWDZBQOSA-N 1 0 369.421 2.950 20 5 FFBDRO Cn1ccnc1[C@@H](NCCCC[N@H+](C)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000453387065 514619058 /nfs/dbraw/zinc/61/90/58/514619058.db2.gz ATUDIZWPNXCLGL-SFHVURJKSA-N 1 0 357.458 2.882 20 5 FFBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000479567302 514633800 /nfs/dbraw/zinc/63/38/00/514633800.db2.gz UWAMSVOZCSNKEZ-AWEZNQCLSA-N 1 0 371.441 2.583 20 5 FFBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000461638656 514679808 /nfs/dbraw/zinc/67/98/08/514679808.db2.gz XLRPCKHYXYNOCL-AWEZNQCLSA-N 1 0 373.457 2.846 20 5 FFBDRO COC(=O)COc1ccc(C[N@H+](C)CCc2ccccc2)cc1[N+](=O)[O-] ZINC000475567493 514717210 /nfs/dbraw/zinc/71/72/10/514717210.db2.gz RUPJVAXXZGYEJN-UHFFFAOYSA-N 1 0 358.394 2.821 20 5 FFBDRO [NH3+]CCCN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)Cc1ccccc1 ZINC000479774475 514719343 /nfs/dbraw/zinc/71/93/43/514719343.db2.gz RJQIEHCWRXEZKL-UHFFFAOYSA-N 1 0 367.409 2.996 20 5 FFBDRO CCCC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000502711010 514749365 /nfs/dbraw/zinc/74/93/65/514749365.db2.gz GVMVDPQYRQVQNA-INIZCTEOSA-N 1 0 369.487 2.836 20 5 FFBDRO Cc1c(CNC(=O)N(CC[NH+](C)C)Cc2ccccn2)cccc1[N+](=O)[O-] ZINC000480067751 514831148 /nfs/dbraw/zinc/83/11/48/514831148.db2.gz NDSSXHOQZPYJRF-UHFFFAOYSA-N 1 0 371.441 2.572 20 5 FFBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)NCCc2ccccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000489416116 514836502 /nfs/dbraw/zinc/83/65/02/514836502.db2.gz YYMHWPAUFUCVHA-RLFYNMQTSA-N 1 0 360.458 2.509 20 5 FFBDRO O=C(CC[N@@H+]1CCc2ccccc2C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000471413384 514875401 /nfs/dbraw/zinc/87/54/01/514875401.db2.gz XXXCQYISTUZLSB-UHFFFAOYSA-N 1 0 351.406 2.932 20 5 FFBDRO CC[NH+](CC)CCSc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000462114428 514890159 /nfs/dbraw/zinc/89/01/59/514890159.db2.gz WFMLWLQOTDSGLF-UHFFFAOYSA-N 1 0 362.455 2.993 20 5 FFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000462160208 514917387 /nfs/dbraw/zinc/91/73/87/514917387.db2.gz UPJYDKACXWLFAS-AUUYWEPGSA-N 1 0 371.412 2.913 20 5 FFBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000462160210 514917934 /nfs/dbraw/zinc/91/79/34/514917934.db2.gz UPJYDKACXWLFAS-IFXJQAMLSA-N 1 0 371.412 2.913 20 5 FFBDRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000471541107 514923821 /nfs/dbraw/zinc/92/38/21/514923821.db2.gz WGYHZSCFNVJYJW-CQSZACIVSA-N 1 0 354.838 2.603 20 5 FFBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])C[C@@H]21 ZINC000456160374 514990850 /nfs/dbraw/zinc/99/08/50/514990850.db2.gz GNVVNJPZYNFYKI-MFKMUULPSA-N 1 0 355.847 2.503 20 5 FFBDRO COc1c[nH+]ccc1N1CCN(c2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000481043608 515183672 /nfs/dbraw/zinc/18/36/72/515183672.db2.gz VPPCMCAKVBKGFQ-UHFFFAOYSA-N 1 0 365.393 2.873 20 5 FFBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)CC[NH+](C(C)C)C(C)C ZINC000503978942 515186903 /nfs/dbraw/zinc/18/69/03/515186903.db2.gz SEZSYURIEAYTTO-UHFFFAOYSA-N 1 0 371.503 2.897 20 5 FFBDRO CNc1c(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cccc1[N+](=O)[O-] ZINC000462781608 515241694 /nfs/dbraw/zinc/24/16/94/515241694.db2.gz YWCUOZMBVPHEBY-XJKSGUPXSA-N 1 0 358.442 2.725 20 5 FFBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000468185733 515254154 /nfs/dbraw/zinc/25/41/54/515254154.db2.gz HITWNVNJRIISLX-HNNXBMFYSA-N 1 0 374.445 2.528 20 5 FFBDRO CNc1c(C(=O)NC[C@H](c2cccc(OC)c2)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000462906321 515290905 /nfs/dbraw/zinc/29/09/05/515290905.db2.gz LHNCXNJDIUBCGW-QGZVFWFLSA-N 1 0 372.425 2.678 20 5 FFBDRO CCC[C@H]1CN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC[N@@H+]1CCOC ZINC000499426756 515317842 /nfs/dbraw/zinc/31/78/42/515317842.db2.gz FQGURXSFCAQXRW-HNNXBMFYSA-N 1 0 374.441 2.649 20 5 FFBDRO Cc1ccc(S(=O)(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000509793313 515325529 /nfs/dbraw/zinc/32/55/29/515325529.db2.gz HTXYOWCEJMTAPE-AWEZNQCLSA-N 1 0 369.487 2.692 20 5 FFBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000468456738 515366552 /nfs/dbraw/zinc/36/65/52/515366552.db2.gz IONUGPFPMVSVHU-KRWDZBQOSA-N 1 0 358.442 2.786 20 5 FFBDRO O=C(COc1ccccc1)N1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000509949109 515379028 /nfs/dbraw/zinc/37/90/28/515379028.db2.gz OHLWQDURKUTVKH-HNNXBMFYSA-N 1 0 373.384 2.503 20 5 FFBDRO O=C(Cc1ccccc1)N1CCC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000509960242 515383285 /nfs/dbraw/zinc/38/32/85/515383285.db2.gz UMPPIEZMOCNWRS-GOSISDBHSA-N 1 0 353.422 2.918 20 5 FFBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000499713065 515422456 /nfs/dbraw/zinc/42/24/56/515422456.db2.gz NFAFDRQMNGXHMR-OAHLLOKOSA-N 1 0 371.441 2.775 20 5 FFBDRO CC(C)O[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1(C)C ZINC000463401864 515478399 /nfs/dbraw/zinc/47/83/99/515478399.db2.gz BUSDEFQYHFMRSQ-BRWVUGGUSA-N 1 0 361.442 2.882 20 5 FFBDRO CC[C@@H](C)[NH2+][C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccco1 ZINC000510363009 515516352 /nfs/dbraw/zinc/51/63/52/515516352.db2.gz JWPZDOOHQRRIEJ-MNOVXSKESA-N 1 0 373.456 2.657 20 5 FFBDRO CCC[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(OCC)c2)CC[N@@H+]1CCOC ZINC000492718728 515557696 /nfs/dbraw/zinc/55/76/96/515557696.db2.gz BMTRCONAQVWMHJ-QGZVFWFLSA-N 1 0 365.474 2.926 20 5 FFBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C[C@@H]1C ZINC000500109343 515593624 /nfs/dbraw/zinc/59/36/24/515593624.db2.gz BOAADLOSVQQJQH-WDEREUQCSA-N 1 0 370.247 2.912 20 5 FFBDRO C[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1N)[C@@H](c1ccccc1)[NH+](C)C ZINC000505604931 515607333 /nfs/dbraw/zinc/60/73/33/515607333.db2.gz GOJNJDBVDWWGMY-GTNSWQLSSA-N 1 0 360.389 2.737 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N(CC[NH+](C)C)C3CC3)cc2[N+](=O)[O-])C1 ZINC000505635668 515618108 /nfs/dbraw/zinc/61/81/08/515618108.db2.gz OXSYKDOCTAUOKZ-OAHLLOKOSA-N 1 0 374.485 2.997 20 5 FFBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000457102725 515649810 /nfs/dbraw/zinc/64/98/10/515649810.db2.gz AHPCYGKCXZDWTM-CQSZACIVSA-N 1 0 369.849 2.958 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC3(CCCC3)[C@@H]2c2ccccc2)c1 ZINC000459568213 515656374 /nfs/dbraw/zinc/65/63/74/515656374.db2.gz BDYUYHIEOBTUQP-ROUUACIJSA-N 1 0 356.426 2.770 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC3(CCCC3)[C@H]2c2ccccc2)c1 ZINC000459568210 515657629 /nfs/dbraw/zinc/65/76/29/515657629.db2.gz BDYUYHIEOBTUQP-QZTJIDSGSA-N 1 0 356.426 2.770 20 5 FFBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000454677846 515659325 /nfs/dbraw/zinc/65/93/25/515659325.db2.gz GSYVBMYKEZTMAD-SIXWZSSISA-N 1 0 372.469 2.967 20 5 FFBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000482382608 515664006 /nfs/dbraw/zinc/66/40/06/515664006.db2.gz FNYWTHKRVXZSEC-IYBDPMFKSA-N 1 0 363.458 2.848 20 5 FFBDRO CC(C)[NH+](CCN(C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)C(C)C ZINC000505821063 515685514 /nfs/dbraw/zinc/68/55/14/515685514.db2.gz VWVUWLJGVGIHHP-HNNXBMFYSA-N 1 0 350.463 2.972 20 5 FFBDRO COC(=O)c1cc(F)ccc1CN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000505835414 515691865 /nfs/dbraw/zinc/69/18/65/515691865.db2.gz WUOMONQWJLOUKS-UHFFFAOYSA-N 1 0 373.384 2.843 20 5 FFBDRO CC(C)[NH+](CCN(C)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])C(C)C ZINC000505862646 515701747 /nfs/dbraw/zinc/70/17/47/515701747.db2.gz NAJWKIBOFJQPKR-OAHLLOKOSA-N 1 0 350.463 2.972 20 5 FFBDRO C[C@@H]([NH2+]C1(CNc2c([N+](=O)[O-])ncn2C)CCOCC1)c1ccccc1 ZINC000500423013 515702488 /nfs/dbraw/zinc/70/24/88/515702488.db2.gz KHRKSFUKKYSDEV-CQSZACIVSA-N 1 0 359.430 2.640 20 5 FFBDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1nc2c(s1)CCC2 ZINC000459629535 515707464 /nfs/dbraw/zinc/70/74/64/515707464.db2.gz HAGPKQCTPYIKBE-VXGBXAGGSA-N 1 0 363.439 2.631 20 5 FFBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000486994090 515711743 /nfs/dbraw/zinc/71/17/43/515711743.db2.gz FLFRIKZZMVIBDA-OAHLLOKOSA-N 1 0 368.865 2.964 20 5 FFBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000486994089 515711833 /nfs/dbraw/zinc/71/18/33/515711833.db2.gz FLFRIKZZMVIBDA-HNNXBMFYSA-N 1 0 368.865 2.964 20 5 FFBDRO C[NH+](C)[C@@H]1CCOc2c(NC(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)cccc21 ZINC000469203547 515719243 /nfs/dbraw/zinc/71/92/43/515719243.db2.gz JFHFREBAZSPCDI-OAHLLOKOSA-N 1 0 373.413 2.550 20 5 FFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCc1nnnn1-c1ccccc1 ZINC000510974932 515734167 /nfs/dbraw/zinc/73/41/67/515734167.db2.gz AEKIECDISSJJSU-OAHLLOKOSA-N 1 0 366.425 2.724 20 5 FFBDRO COc1cc(C[NH2+][C@]2(C)CCO[C@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000494248395 515782742 /nfs/dbraw/zinc/78/27/42/515782742.db2.gz RGWFQDBPCDJNPY-MGPLVRAMSA-N 1 0 360.357 2.904 20 5 FFBDRO CN1C(=O)C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000482727100 515785918 /nfs/dbraw/zinc/78/59/18/515785918.db2.gz VUEVXGOWPWXCEE-FUHWJXTLSA-N 1 0 361.348 2.935 20 5 FFBDRO C[NH+](C)CCN(Cc1ccccn1)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000500739919 515836154 /nfs/dbraw/zinc/83/61/54/515836154.db2.gz XADANHJPHQRQFP-UHFFFAOYSA-N 1 0 374.466 2.672 20 5 FFBDRO CCN(C(=O)c1c([N+](=O)[O-])cnn1C)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000500900119 515900082 /nfs/dbraw/zinc/90/00/82/515900082.db2.gz HYWGBDIMDWKDJE-ZBFHGGJFSA-N 1 0 371.441 2.626 20 5 FFBDRO Cc1ccsc1[C@@H](CO)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000494622744 515900920 /nfs/dbraw/zinc/90/09/20/515900920.db2.gz BPVYVIOWTCJFLC-OAHLLOKOSA-N 1 0 363.439 2.925 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)CC[NH+]1CCCC1 ZINC000487554989 515903075 /nfs/dbraw/zinc/90/30/75/515903075.db2.gz GRRHPRKDDNACBV-GFCCVEGCSA-N 1 0 355.822 2.570 20 5 FFBDRO Cc1ccsc1[C@@H](CO)[NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000494648765 515910392 /nfs/dbraw/zinc/91/03/92/515910392.db2.gz PVFXWDRXSXMBGX-TZMCWYRMSA-N 1 0 363.439 2.923 20 5 FFBDRO Cc1csc(C2([NH2+]C[C@H](O)COc3ccccc3[N+](=O)[O-])CCC2)n1 ZINC000494812079 515970900 /nfs/dbraw/zinc/97/09/00/515970900.db2.gz XEHHSPONXGAGIX-ZDUSSCGKSA-N 1 0 363.439 2.768 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+]CC2(c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000474361472 516011453 /nfs/dbraw/zinc/01/14/53/516011453.db2.gz DHOKEGMWZQODMH-UHFFFAOYSA-N 1 0 370.405 2.968 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+]Cc2ccc(C)c(F)c2)cc1[N+](=O)[O-] ZINC000474361554 516011671 /nfs/dbraw/zinc/01/16/71/516011671.db2.gz JDZUHFRPFSJJOL-UHFFFAOYSA-N 1 0 362.357 2.884 20 5 FFBDRO COCC[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H]1CCC[C@@H]1C ZINC000487959909 516053235 /nfs/dbraw/zinc/05/32/35/516053235.db2.gz SJHNMFFPFCZGFS-WMLDXEAASA-N 1 0 361.442 2.621 20 5 FFBDRO CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000460203429 516067248 /nfs/dbraw/zinc/06/72/48/516067248.db2.gz IZLRHPQMCCAQAQ-MRXNPFEDSA-N 1 0 356.430 2.546 20 5 FFBDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1 ZINC000488028080 516085369 /nfs/dbraw/zinc/08/53/69/516085369.db2.gz SGOHGLFXGBDLPN-MPGHIAIKSA-N 1 0 360.458 2.509 20 5 FFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCC2(CC[NH2+]CC2)CC1 ZINC000479299583 516144037 /nfs/dbraw/zinc/14/40/37/516144037.db2.gz YOTRXPTVTMDRCP-UHFFFAOYSA-N 1 0 351.834 2.783 20 5 FFBDRO C[C@H](CNC(=O)NCCNc1ccccc1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1C ZINC000501540230 516146773 /nfs/dbraw/zinc/14/67/73/516146773.db2.gz YVLAJYWKCWZAKZ-LSDHHAIUSA-N 1 0 363.462 2.569 20 5 FFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCC(=O)OC(C)(C)C ZINC000495386880 516154329 /nfs/dbraw/zinc/15/43/29/516154329.db2.gz ZVXNFLRICLPBJH-LBPRGKRZSA-N 1 0 351.403 2.633 20 5 FFBDRO CCC1CCC([N@H+](CCO)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000488234545 516168918 /nfs/dbraw/zinc/16/89/18/516168918.db2.gz PVYWCAZCDLOVGH-UHFFFAOYSA-N 1 0 363.458 2.821 20 5 FFBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000488271829 516182339 /nfs/dbraw/zinc/18/23/39/516182339.db2.gz JMNYVXJYLUBXAQ-ZDUSSCGKSA-N 1 0 368.865 2.822 20 5 FFBDRO CC[NH+](CC)CC1CCN(CC(=O)Nc2c(C)cccc2[N+](=O)[O-])CC1 ZINC000488360095 516205435 /nfs/dbraw/zinc/20/54/35/516205435.db2.gz NHTGSRDNCIZVST-UHFFFAOYSA-N 1 0 362.474 2.896 20 5 FFBDRO CC[N@@H+]1C[C@H](C)N(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC000488383472 516210199 /nfs/dbraw/zinc/21/01/99/516210199.db2.gz KNFUWARYXGUCJV-STQMWFEESA-N 1 0 368.865 2.915 20 5 FFBDRO O=C(CC[N@@H+](CCO)Cc1cccc(F)c1)Nc1ccccc1[N+](=O)[O-] ZINC000501875981 516252630 /nfs/dbraw/zinc/25/26/30/516252630.db2.gz LKUWUTUHRKPHLG-UHFFFAOYSA-N 1 0 361.373 2.557 20 5 FFBDRO CCCN(CC[NH+](CC)CC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000460912008 516282510 /nfs/dbraw/zinc/28/25/10/516282510.db2.gz VTYGWXVCUBUVSW-UHFFFAOYSA-N 1 0 357.476 2.646 20 5 FFBDRO Cc1cc(NC(=O)c2ccc([N+](=O)[O-])n2C)ccc1OCC[NH+]1CCCC1 ZINC000522904509 516347726 /nfs/dbraw/zinc/34/77/26/516347726.db2.gz YYFDIFKCRKQZEG-UHFFFAOYSA-N 1 0 372.425 2.969 20 5 FFBDRO O=C(N1CCCC1)N1CCC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000512858031 516388926 /nfs/dbraw/zinc/38/89/26/516388926.db2.gz URNIIDYVGDMXSJ-CQSZACIVSA-N 1 0 350.394 2.504 20 5 FFBDRO CC[NH+](CC)CC[C@H](CO)Nc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000550736121 516403005 /nfs/dbraw/zinc/40/30/05/516403005.db2.gz AFOVBUYEOXIGMJ-SNVBAGLBSA-N 1 0 350.341 2.513 20 5 FFBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000557743911 516416146 /nfs/dbraw/zinc/41/61/46/516416146.db2.gz RXEFDQGMBSYODP-LBPRGKRZSA-N 1 0 357.357 2.800 20 5 FFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](N1CCOCC1)C(F)(F)F ZINC000512972587 516430192 /nfs/dbraw/zinc/43/01/92/516430192.db2.gz UYXRNUPBQJCTHF-LRFDDAOPSA-N 1 0 373.375 2.851 20 5 FFBDRO C[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc([S@](C)=O)cc1 ZINC000561225954 516466163 /nfs/dbraw/zinc/46/61/63/516466163.db2.gz RGUWUAKEHKAZTP-YDBLSZJJSA-N 1 0 361.423 2.622 20 5 FFBDRO CC(C)CCC[C@@H](C)[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000540194390 516468175 /nfs/dbraw/zinc/46/81/75/516468175.db2.gz GUWRXXOQOBEQBC-CQSZACIVSA-N 1 0 357.476 2.678 20 5 FFBDRO Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000523968243 516619745 /nfs/dbraw/zinc/61/97/45/516619745.db2.gz HEMYBSAJJRKPEG-UHFFFAOYSA-N 1 0 366.805 2.779 20 5 FFBDRO COc1ccc(-c2ccc(C[NH2+][C@H](C)C[S@@](C)=O)o2)c([N+](=O)[O-])c1 ZINC000544167315 516621644 /nfs/dbraw/zinc/62/16/44/516621644.db2.gz IQHOJQHQXVGGNK-YDGUKXNOSA-N 1 0 352.412 2.720 20 5 FFBDRO C[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1Cc2ccccc2C1 ZINC000513444016 516627170 /nfs/dbraw/zinc/62/71/70/516627170.db2.gz QVUUEIRXJRMMIN-UHFFFAOYSA-N 1 0 351.406 2.583 20 5 FFBDRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000518596614 516717290 /nfs/dbraw/zinc/71/72/90/516717290.db2.gz GRNLUWOADMWEGW-GJZGRUSLSA-N 1 0 371.441 2.773 20 5 FFBDRO Cc1nn(CCC(=O)N(C)CC[N@H+](C)C2CCCCC2)c(C)c1[N+](=O)[O-] ZINC000524448847 516723407 /nfs/dbraw/zinc/72/34/07/516723407.db2.gz PVXNIIMBJORGOT-UHFFFAOYSA-N 1 0 365.478 2.521 20 5 FFBDRO Cc1c(Br)c(N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000544392827 516739728 /nfs/dbraw/zinc/73/97/28/516739728.db2.gz BFBMFHMWOUIOFE-GXSJLCMTSA-N 1 0 357.252 2.980 20 5 FFBDRO COc1ccc([C@H](C[NH+](C)C)NC(=O)CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000551536892 516748873 /nfs/dbraw/zinc/74/88/73/516748873.db2.gz JXXSZCBSPZDNMY-IBGZPJMESA-N 1 0 371.437 2.955 20 5 FFBDRO CNc1ccc(C(=O)N(CC[NH+](C)C)Cc2cccc(O)c2)cc1[N+](=O)[O-] ZINC000536439091 516766497 /nfs/dbraw/zinc/76/64/97/516766497.db2.gz SJEIHRDWFWXLKS-UHFFFAOYSA-N 1 0 372.425 2.546 20 5 FFBDRO C[C@H](O)C[N@@H+]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[C@@H](C)C1 ZINC000551583041 516771713 /nfs/dbraw/zinc/77/17/13/516771713.db2.gz JEKBYPQWYZFOPG-GJZGRUSLSA-N 1 0 359.426 2.742 20 5 FFBDRO CCOc1cc(NC(=O)N(C)CCC[NH+](C)C)c([N+](=O)[O-])cc1OCC ZINC000544553155 516810030 /nfs/dbraw/zinc/81/00/30/516810030.db2.gz DXUSURYCMMQMAF-UHFFFAOYSA-N 1 0 368.434 2.808 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(N2CCC(CCC[NH+]3CCOCC3)CC2)c1 ZINC000555163717 516812014 /nfs/dbraw/zinc/81/20/14/516812014.db2.gz XKAKXUIGUUPYSC-UHFFFAOYSA-N 1 0 363.458 2.932 20 5 FFBDRO C[C@H](CCC(F)(F)F)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000544573882 516819656 /nfs/dbraw/zinc/81/96/56/516819656.db2.gz AIBOQKZODVITSQ-SNVBAGLBSA-N 1 0 354.350 2.689 20 5 FFBDRO Cn1ccnc1[C@@H](NCC1([NH+](C)C)CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000514082490 516853765 /nfs/dbraw/zinc/85/37/65/516853765.db2.gz HCHDZDKLLGGQDG-KRWDZBQOSA-N 1 0 357.458 2.882 20 5 FFBDRO Cc1cc(NCc2ccc(OCCO)cc2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000541160865 516904960 /nfs/dbraw/zinc/90/49/60/516904960.db2.gz DEVAPOALZCWFAG-UHFFFAOYSA-N 1 0 353.378 2.857 20 5 FFBDRO COc1ccc(CC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)cc1[N+](=O)[O-] ZINC000525290919 516996652 /nfs/dbraw/zinc/99/66/52/516996652.db2.gz DVUAOCIHOUMHPJ-CVEARBPZSA-N 1 0 361.442 2.620 20 5 FFBDRO O=[N+]([O-])c1cnc2ccc(Br)cc2c1NCC[NH+]1CCCC1 ZINC000536985896 516996947 /nfs/dbraw/zinc/99/69/47/516996947.db2.gz AABNHSWAYROGRE-UHFFFAOYSA-N 1 0 365.231 2.835 20 5 FFBDRO O=C(NC1CC1)N[C@H]1CC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000544941321 516997172 /nfs/dbraw/zinc/99/71/72/516997172.db2.gz WGODUNJTQHQILG-HNNXBMFYSA-N 1 0 370.409 2.891 20 5 FFBDRO C[C@H]([NH2+]CC(=O)NCCc1c(F)cccc1F)c1cccc([N+](=O)[O-])c1 ZINC000537076393 517030973 /nfs/dbraw/zinc/03/09/73/517030973.db2.gz CBYSQZNZVMLXOO-LBPRGKRZSA-N 1 0 363.364 2.883 20 5 FFBDRO C[NH+](C)C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000552027723 517037621 /nfs/dbraw/zinc/03/76/21/517037621.db2.gz XXDPTWBNSNGMQW-ZDUSSCGKSA-N 1 0 362.817 2.718 20 5 FFBDRO C[C@H](NC(=O)[C@@H]1CN(Cc2ccccc2)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000525454601 517044755 /nfs/dbraw/zinc/04/47/55/517044755.db2.gz JREOXJYWGZABQM-KXBFYZLASA-N 1 0 369.421 2.673 20 5 FFBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000562399790 517081825 /nfs/dbraw/zinc/08/18/25/517081825.db2.gz JFHBXFGVTYQVRW-CYBMUJFWSA-N 1 0 357.414 2.622 20 5 FFBDRO COC[C@](C)(CC(=O)OC)[NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000559144861 517098514 /nfs/dbraw/zinc/09/85/14/517098514.db2.gz XVMIRROCSTUJFJ-AWEZNQCLSA-N 1 0 364.320 2.671 20 5 FFBDRO O=C(CC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)Nc1ccccc1 ZINC000532707326 517105616 /nfs/dbraw/zinc/10/56/16/517105616.db2.gz WIYPWRLWRZBVQW-OAHLLOKOSA-N 1 0 355.398 2.505 20 5 FFBDRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-])c1ccco1 ZINC000519658800 517109763 /nfs/dbraw/zinc/10/97/63/517109763.db2.gz DIDWMDOCUKNRBA-NEPJUHHUSA-N 1 0 363.418 2.894 20 5 FFBDRO C[C@H]1CCC[N@H+](CCN[C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C1 ZINC000552254474 517164208 /nfs/dbraw/zinc/16/42/08/517164208.db2.gz GHSOOFHKVVSOIX-YJBOKZPZSA-N 1 0 357.458 2.739 20 5 FFBDRO CCc1cccc(OC[C@@H](O)C[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000555911501 517179513 /nfs/dbraw/zinc/17/95/13/517179513.db2.gz FBEGNWXMWUCWRS-INIZCTEOSA-N 1 0 360.410 2.695 20 5 FFBDRO COc1ccc(C[NH2+]C[C@@H](O)COc2c(C)cccc2C)cc1[N+](=O)[O-] ZINC000555911774 517179951 /nfs/dbraw/zinc/17/99/51/517179951.db2.gz NXAWXBDHOZINTP-MRXNPFEDSA-N 1 0 360.410 2.750 20 5 FFBDRO CC[S@](=O)[C@H]1CCC[C@@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000515054185 517191427 /nfs/dbraw/zinc/19/14/27/517191427.db2.gz AESOPRGMCGELRB-JXQWACKNSA-N 1 0 367.471 2.593 20 5 FFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](c1nccn1C)C1CC1 ZINC000552322496 517195883 /nfs/dbraw/zinc/19/58/83/517195883.db2.gz PGKYTJRNSYJGBR-YVEFUNNKSA-N 1 0 357.414 2.786 20 5 FFBDRO C[C@]1(CNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CCC[NH2+]C1 ZINC000515233944 517266832 /nfs/dbraw/zinc/26/68/32/517266832.db2.gz GFHHBGVJPQIJRJ-INIZCTEOSA-N 1 0 355.822 2.523 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CCC(OCC[NH+](C)C)CC1 ZINC000537630084 517267641 /nfs/dbraw/zinc/26/76/41/517267641.db2.gz LGCPEDMBTFYCMN-UHFFFAOYSA-N 1 0 351.447 2.536 20 5 FFBDRO O=C(CNc1ccccc1[N+](=O)[O-])N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000520093102 517272379 /nfs/dbraw/zinc/27/23/79/517272379.db2.gz HBHXLNIIDITDDJ-KRWDZBQOSA-N 1 0 368.437 2.788 20 5 FFBDRO CNC(=O)CCOC1CC[NH+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000537689562 517297672 /nfs/dbraw/zinc/29/76/72/517297672.db2.gz RIBHBXOTOIDIAX-UHFFFAOYSA-N 1 0 363.458 2.835 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])c(N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)n1 ZINC000541935030 517299755 /nfs/dbraw/zinc/29/97/55/517299755.db2.gz HKEODWNFEOMPIZ-QZTJIDSGSA-N 1 0 370.453 2.902 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])c(NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)n1 ZINC000541935058 517300104 /nfs/dbraw/zinc/30/01/04/517300104.db2.gz BPAXRBXKUCJQLU-IRXDYDNUSA-N 1 0 356.426 2.654 20 5 FFBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H](O)COc1cccc2[nH]ccc21 ZINC000548934232 517312307 /nfs/dbraw/zinc/31/23/07/517312307.db2.gz XFPXIEAISVUTKJ-QGZVFWFLSA-N 1 0 369.421 2.990 20 5 FFBDRO Cn1c(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000520349063 517356257 /nfs/dbraw/zinc/35/62/57/517356257.db2.gz OSFUNOITEBFKSB-ALOPSCKCSA-N 1 0 368.437 2.859 20 5 FFBDRO CCC(CC)[C@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1C)[NH+](C)C ZINC000526328173 517369094 /nfs/dbraw/zinc/36/90/94/517369094.db2.gz IPFYPURFTFRUML-HNNXBMFYSA-N 1 0 357.476 2.548 20 5 FFBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+][C@@H]1CCCC12CCCC2 ZINC000559789122 517426395 /nfs/dbraw/zinc/42/63/95/517426395.db2.gz XWAXOEGFBBFMAY-MRXNPFEDSA-N 1 0 367.471 2.576 20 5 FFBDRO CCc1cnccc1[C@@H](C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000542253205 517464230 /nfs/dbraw/zinc/46/42/30/517464230.db2.gz IUMVJLHBHDNQQL-CYBMUJFWSA-N 1 0 363.439 2.677 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CCOC2CCCCCC2)c1 ZINC000562996355 517569069 /nfs/dbraw/zinc/56/90/69/517569069.db2.gz PIARPCZWCGSMMM-INIZCTEOSA-N 1 0 352.431 2.664 20 5 FFBDRO COc1cc(C[NH2+]CC[C@H]2CCOC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000542482400 517587631 /nfs/dbraw/zinc/58/76/31/517587631.db2.gz NJMKOVKWMGLHSM-NSHDSACASA-N 1 0 360.357 2.764 20 5 FFBDRO CC[NH+](CC)CCOC1CCN(c2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000542504880 517599402 /nfs/dbraw/zinc/59/94/02/517599402.db2.gz GEQGVVRQIQCKIU-UHFFFAOYSA-N 1 0 373.457 2.865 20 5 FFBDRO C[N@H+](CCCNc1ncnc2cccc([N+](=O)[O-])c21)Cc1ccccc1 ZINC000542520915 517609075 /nfs/dbraw/zinc/60/90/75/517609075.db2.gz OKMWEMNTAPUQQS-UHFFFAOYSA-N 1 0 351.410 2.894 20 5 FFBDRO C[N@@H+]1CCC[C@H](CNC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000556740398 517620046 /nfs/dbraw/zinc/62/00/46/517620046.db2.gz WXHKFOYOMDOGLK-SNVBAGLBSA-N 1 0 371.235 2.821 20 5 FFBDRO Cc1cnc([C@@H](C)C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000521228597 517659349 /nfs/dbraw/zinc/65/93/49/517659349.db2.gz FMDDFQSFLDZRCY-NSHDSACASA-N 1 0 369.468 2.527 20 5 FFBDRO CCCN(CC[NH+]1CCCC1)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000553398685 517689079 /nfs/dbraw/zinc/68/90/79/517689079.db2.gz LIKDWRNNDWLWJX-UHFFFAOYSA-N 1 0 371.441 2.729 20 5 FFBDRO COc1ccc(CC(=O)NCc2ccc(CC[NH+](C)C)cc2)cc1[N+](=O)[O-] ZINC000530334185 517710209 /nfs/dbraw/zinc/71/02/09/517710209.db2.gz POBVUEYDJZOYMJ-UHFFFAOYSA-N 1 0 371.437 2.566 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]Cc2coc3ccccc23)cc1 ZINC000516515496 517720032 /nfs/dbraw/zinc/72/00/32/517720032.db2.gz VWMNVBCXCPEQSG-UHFFFAOYSA-N 1 0 360.391 2.905 20 5 FFBDRO CC[NH+](CC)CCO[C@H]1CCN(c2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000553484098 517739078 /nfs/dbraw/zinc/73/90/78/517739078.db2.gz GCWWXZTVDISJKL-LBPRGKRZSA-N 1 0 365.459 2.537 20 5 FFBDRO CC1=CC[N@H+](CCNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000546589419 517742017 /nfs/dbraw/zinc/74/20/17/517742017.db2.gz SDBHZINZBGZWRY-UHFFFAOYSA-N 1 0 367.833 2.785 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]Cc2ccc(-n3cncn3)cc2)n1 ZINC000521560868 517775407 /nfs/dbraw/zinc/77/54/07/517775407.db2.gz SRXPDKCVSLKDGW-DLBZAZTESA-N 1 0 367.413 2.646 20 5 FFBDRO COC(=O)COc1ccc(C[NH+]2CCC(OC(C)C)CC2)cc1[N+](=O)[O-] ZINC000530447282 517779464 /nfs/dbraw/zinc/77/94/64/517779464.db2.gz KWOHLCRYDPEURF-UHFFFAOYSA-N 1 0 366.414 2.536 20 5 FFBDRO CCN(CC[NH+]1CCCCCC1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000553575100 517792509 /nfs/dbraw/zinc/79/25/09/517792509.db2.gz FSDICBZDVLHJAW-UHFFFAOYSA-N 1 0 369.487 2.623 20 5 FFBDRO CC[NH+](CC)CCN(CC(C)C)C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000516699636 517813761 /nfs/dbraw/zinc/81/37/61/517813761.db2.gz IBTSHADBAVIJMX-UHFFFAOYSA-N 1 0 365.430 2.764 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000521769873 517849975 /nfs/dbraw/zinc/84/99/75/517849975.db2.gz FNKCTWHSTMVGJZ-VXGBXAGGSA-N 1 0 367.833 2.616 20 5 FFBDRO C[C@H](CNC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)C[NH+]1CCCC1 ZINC000516806958 517850054 /nfs/dbraw/zinc/85/00/54/517850054.db2.gz XRSOLXUUHAGIQB-CQSZACIVSA-N 1 0 373.457 2.650 20 5 FFBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000516826134 517858895 /nfs/dbraw/zinc/85/88/95/517858895.db2.gz OROYAWHIIAEYGA-FZKQIMNGSA-N 1 0 373.457 2.600 20 5 FFBDRO CCc1cnccc1[C@@H](C)[NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000543050950 517884227 /nfs/dbraw/zinc/88/42/27/517884227.db2.gz OMZWEMCYIJCDTC-LLVKDONJSA-N 1 0 372.381 2.570 20 5 FFBDRO COc1ccccc1N1CC[C@@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1=O ZINC000516878062 517889261 /nfs/dbraw/zinc/88/92/61/517889261.db2.gz WEUIJRCWWROQCG-HZPDHXFCSA-N 1 0 367.405 2.986 20 5 FFBDRO C[C@H]([NH3+])c1ccc(CNC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)cc1 ZINC000557228088 517925692 /nfs/dbraw/zinc/92/56/92/517925692.db2.gz LNJKZHQTHSGIRX-ZDUSSCGKSA-N 1 0 354.410 2.882 20 5 FFBDRO C[C@@H]1CC(C)(C)C[C@@](CO)([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000543139652 517929038 /nfs/dbraw/zinc/92/90/38/517929038.db2.gz VMKNYTHPUAKHQF-VCBZYWHSSA-N 1 0 366.458 2.501 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000557331409 517959762 /nfs/dbraw/zinc/95/97/62/517959762.db2.gz WCSPHHGKIUKBIN-SJLPKXTDSA-N 1 0 360.458 2.838 20 5 FFBDRO CCC(CC)[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccs1 ZINC000539278955 517976837 /nfs/dbraw/zinc/97/68/37/517976837.db2.gz YALTVYVQMGSMHO-GOEBONIOSA-N 1 0 352.460 2.981 20 5 FFBDRO CC[NH+](CC)C[C@H](C)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000522184874 518022016 /nfs/dbraw/zinc/02/20/16/518022016.db2.gz OVTXGXMHTQKBCV-NWDGAFQWSA-N 1 0 357.838 2.862 20 5 FFBDRO CCC[C@@H]1CN(CCn2cc([N+](=O)[O-])cn2)CC[N@@H+]1Cc1ccccc1 ZINC000539422492 518040634 /nfs/dbraw/zinc/04/06/34/518040634.db2.gz PZDYQEXFMHQXCC-GOSISDBHSA-N 1 0 357.458 2.778 20 5 FFBDRO CC(C)[C@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1(CO)CCC1 ZINC000550463765 518073410 /nfs/dbraw/zinc/07/34/10/518073410.db2.gz OEUVONOBZAJNBY-INIZCTEOSA-N 1 0 360.414 2.922 20 5 FFBDRO COCC[C@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)c1ccco1 ZINC000543458486 518102569 /nfs/dbraw/zinc/10/25/69/518102569.db2.gz ADRNSDKELRTGOH-ZDUSSCGKSA-N 1 0 363.370 2.502 20 5 FFBDRO CC(C)[NH+](CCNC(=O)N(C)CCc1ccccc1[N+](=O)[O-])C(C)C ZINC000554218772 518108372 /nfs/dbraw/zinc/10/83/72/518108372.db2.gz RROKLLWUYCKJBF-UHFFFAOYSA-N 1 0 350.463 2.898 20 5 FFBDRO O=C1C[C@@]2(CN1)CCC[N@@H+](Cc1ccc(-c3ccc([N+](=O)[O-])cc3)o1)C2 ZINC000539821196 518169002 /nfs/dbraw/zinc/16/90/02/518169002.db2.gz MXMMNNVEKKKTTH-LJQANCHMSA-N 1 0 355.394 2.957 20 5 FFBDRO CCOC[C@H](C)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000566827248 518219824 /nfs/dbraw/zinc/21/98/24/518219824.db2.gz ZZDWYHCCWOZNDF-VIFPVBQESA-N 1 0 364.183 2.714 20 5 FFBDRO O=C(NCCCCC[NH+]1CCCCC1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000575459999 518224395 /nfs/dbraw/zinc/22/43/95/518224395.db2.gz JHADAIVHSDQCIR-UHFFFAOYSA-N 1 0 363.414 2.710 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC[C@@H]([NH+]3CCOCC3)CC2)c2ccncc21 ZINC000581320489 518229309 /nfs/dbraw/zinc/22/93/09/518229309.db2.gz FXFUAEDFXWUXNC-OAHLLOKOSA-N 1 0 356.426 2.834 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CCc2ccc(F)cc2Cl)c1 ZINC000584346503 518294740 /nfs/dbraw/zinc/29/47/40/518294740.db2.gz MZDMVNQVKDIFGH-OAHLLOKOSA-N 1 0 368.792 2.959 20 5 FFBDRO CSC1(CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC[NH+](C)CC1 ZINC000584383718 518310957 /nfs/dbraw/zinc/31/09/57/518310957.db2.gz NEPKZOTZIFJKAX-UHFFFAOYSA-N 1 0 365.499 2.816 20 5 FFBDRO C[C@H](C(=O)NC1CC[NH+](Cc2cccnc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000581525667 518327383 /nfs/dbraw/zinc/32/73/83/518327383.db2.gz ALLHNRWETWRTPB-HNNXBMFYSA-N 1 0 368.437 2.874 20 5 FFBDRO COCC(C)(C)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000564384402 518426648 /nfs/dbraw/zinc/42/66/48/518426648.db2.gz PDQBTBXFSKMXFA-UHFFFAOYSA-N 1 0 364.183 2.714 20 5 FFBDRO COc1ccc(C[NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)c(OC)n1 ZINC000564428061 518448183 /nfs/dbraw/zinc/44/81/83/518448183.db2.gz OTYQPHGRHLMIAJ-GFCCVEGCSA-N 1 0 374.397 2.514 20 5 FFBDRO C[C@@H](C(=O)NCc1ccccc1OCC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000567297527 518452246 /nfs/dbraw/zinc/45/22/46/518452246.db2.gz WCDGLGBMDBSPDO-OAHLLOKOSA-N 1 0 371.437 2.955 20 5 FFBDRO CCC[N@@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)C1 ZINC000576192023 518472899 /nfs/dbraw/zinc/47/28/99/518472899.db2.gz MBSPUHHYEDTVPF-CQSZACIVSA-N 1 0 366.437 2.714 20 5 FFBDRO C[NH+](C)CC1CCC(NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000576260862 518508077 /nfs/dbraw/zinc/50/80/77/518508077.db2.gz QDZMWWJDBYJUOE-UHFFFAOYSA-N 1 0 355.385 2.652 20 5 FFBDRO CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000576311167 518529795 /nfs/dbraw/zinc/52/97/95/518529795.db2.gz UXNGGODZYUERSZ-QGZVFWFLSA-N 1 0 361.442 2.891 20 5 FFBDRO COc1ccc(CN2CC[NH2+]C[C@@H]2C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000582003029 518542897 /nfs/dbraw/zinc/54/28/97/518542897.db2.gz QBVGFEKDDUMUDC-HNNXBMFYSA-N 1 0 371.437 2.976 20 5 FFBDRO CC[NH+]1CCC(CN[C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000579268674 518600918 /nfs/dbraw/zinc/60/09/18/518600918.db2.gz ORIRLLWUAWWSPI-SFHVURJKSA-N 1 0 357.458 2.739 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NCC1(SC)CC[NH+](C)CC1 ZINC000576553499 518647871 /nfs/dbraw/zinc/64/78/71/518647871.db2.gz UZXLOFRLHWTAEB-UHFFFAOYSA-N 1 0 368.459 2.552 20 5 FFBDRO CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000576558066 518649677 /nfs/dbraw/zinc/64/96/77/518649677.db2.gz VVLCYMOWIPUJFL-SFHVURJKSA-N 1 0 358.442 2.998 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CCc2ccc(F)c(F)c2F)c1 ZINC000564873987 518668670 /nfs/dbraw/zinc/66/86/70/518668670.db2.gz WSBNKEUMCOZUDZ-CYBMUJFWSA-N 1 0 370.327 2.584 20 5 FFBDRO C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)C[N@@H+]1C1CC1 ZINC000582311531 518692812 /nfs/dbraw/zinc/69/28/12/518692812.db2.gz PCEAFIZSXZNNDI-QWHCGFSZSA-N 1 0 364.421 2.608 20 5 FFBDRO C[C@@H]1C[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CCC1(F)F ZINC000582329515 518698356 /nfs/dbraw/zinc/69/83/56/518698356.db2.gz VIVALWDXEGVTEJ-LLVKDONJSA-N 1 0 355.341 2.870 20 5 FFBDRO [NH3+][C@@H]1CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1c1ccccc1 ZINC000564986622 518729984 /nfs/dbraw/zinc/72/99/84/518729984.db2.gz AYCLHFDNHJLUPW-GOEBONIOSA-N 1 0 374.828 2.613 20 5 FFBDRO CC1CCC([NH+]2CCN(c3nc4ccc([N+](=O)[O-])cc4c(=O)[nH]3)CC2)CC1 ZINC000582425837 518747671 /nfs/dbraw/zinc/74/76/71/518747671.db2.gz QGTBTQUMEZWEBR-UHFFFAOYSA-N 1 0 371.441 2.944 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)n1 ZINC000582478649 518773856 /nfs/dbraw/zinc/77/38/56/518773856.db2.gz XHOHTOFGTWYUAL-YVEFUNNKSA-N 1 0 350.419 2.699 20 5 FFBDRO CCC(CC)[C@@H]1C[C@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000570795303 518784089 /nfs/dbraw/zinc/78/40/89/518784089.db2.gz WHPHGSBEIXPVJD-MDZRGWNJSA-N 1 0 366.458 2.908 20 5 FFBDRO [NH3+]CCC1CCN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000565099494 518785868 /nfs/dbraw/zinc/78/58/68/518785868.db2.gz SIFFSRIMQHDWKE-UHFFFAOYSA-N 1 0 354.838 2.561 20 5 FFBDRO CCn1nccc1N1CCC[C@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C1=O ZINC000588582249 518789144 /nfs/dbraw/zinc/78/91/44/518789144.db2.gz BVJDGHQORYLKNZ-SBSDFTTDSA-N 1 0 369.425 2.610 20 5 FFBDRO C[C@@H](Cc1ccc(F)cc1Br)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000573720462 518803135 /nfs/dbraw/zinc/80/31/35/518803135.db2.gz XMTGAWRXQUHXKR-JTQLQIEISA-N 1 0 371.210 2.914 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N2C[C@@H]([NH3+])Cc3ccccc32)cc1SC ZINC000573834327 518857364 /nfs/dbraw/zinc/85/73/64/518857364.db2.gz YVSKMRNQTUIXEH-LBPRGKRZSA-N 1 0 373.434 2.856 20 5 FFBDRO O=[N+]([O-])c1cccc2c(N3CCC[C@@H]([NH+]4CCOCC4)CC3)ccnc21 ZINC000582676798 518868864 /nfs/dbraw/zinc/86/88/64/518868864.db2.gz KJVVGUHESMHGLD-OAHLLOKOSA-N 1 0 356.426 2.834 20 5 FFBDRO COc1cc(C[NH2+][C@@H]2CO[C@@H](C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000579836806 518879086 /nfs/dbraw/zinc/87/90/86/518879086.db2.gz VNGRNUMOYPNTMO-ONGXEEELSA-N 1 0 364.320 2.812 20 5 FFBDRO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1cccc(-n2ccnn2)c1 ZINC000582743724 518899293 /nfs/dbraw/zinc/89/92/93/518899293.db2.gz PDXPSUJIUADIBT-AWEZNQCLSA-N 1 0 353.382 2.905 20 5 FFBDRO CCC[C@H]1C[NH2+]CCN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000573919515 518900576 /nfs/dbraw/zinc/90/05/76/518900576.db2.gz MAUCSLNSRZYVCH-INIZCTEOSA-N 1 0 363.461 2.755 20 5 FFBDRO CCOc1cc(CN(CC[NH+](C)C)Cc2ccccn2)ccc1[N+](=O)[O-] ZINC000565370647 518921341 /nfs/dbraw/zinc/92/13/41/518921341.db2.gz IGVZRQLVDLUCQN-UHFFFAOYSA-N 1 0 358.442 2.952 20 5 FFBDRO CCCC[C@@H](C)[C@H](C)[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000565503666 518988398 /nfs/dbraw/zinc/98/83/98/518988398.db2.gz ZPWDTQIENKNBKC-KGLIPLIRSA-N 1 0 357.476 2.678 20 5 FFBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCC[N@H+](Cc2ccc(OC)cc2)CC1 ZINC000571318747 519036586 /nfs/dbraw/zinc/03/65/86/519036586.db2.gz MSRLRUOXGAKQDX-UHFFFAOYSA-N 1 0 373.457 2.841 20 5 FFBDRO COc1ccccc1-n1nccc1CN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000568447597 519040656 /nfs/dbraw/zinc/04/06/56/519040656.db2.gz YSQBYZVHYZTKHB-UHFFFAOYSA-N 1 0 367.409 2.754 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2noc(CN3CCCC[C@@H]3[C@H]3CCC[NH2+]3)n2)cc1 ZINC000577371834 519048525 /nfs/dbraw/zinc/04/85/25/519048525.db2.gz XBGFMZLCXSHGFH-HZPDHXFCSA-N 1 0 357.414 2.751 20 5 FFBDRO CN(CC1CC[NH+](C)CC1)C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000589678804 519061950 /nfs/dbraw/zinc/06/19/50/519061950.db2.gz UXHMDCDMDHFMLZ-UHFFFAOYSA-N 1 0 373.457 2.602 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@@](CO)(c3ccccc3)C2)c1 ZINC000589737654 519074263 /nfs/dbraw/zinc/07/42/63/519074263.db2.gz FUOPERCTVOCWLE-HXUWFJFHSA-N 1 0 370.405 2.517 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NCC2(C[NH+](C)C)CCCC2)c1 ZINC000577428376 519075189 /nfs/dbraw/zinc/07/51/89/519075189.db2.gz FUBKFOKDPRGEKD-UHFFFAOYSA-N 1 0 369.487 2.612 20 5 FFBDRO C[N@@H+]1CCC[C@]2(CCN(c3c(Br)cncc3[N+](=O)[O-])C2)C1 ZINC000590141901 519160304 /nfs/dbraw/zinc/16/03/04/519160304.db2.gz HLTHUOCHUXTVGM-AWEZNQCLSA-N 1 0 355.236 2.674 20 5 FFBDRO CCCN(Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@H]1CC(=O)N(C)C1=O ZINC000574468721 519169461 /nfs/dbraw/zinc/16/94/61/519169461.db2.gz TXPZVJONQHROMF-ZDUSSCGKSA-N 1 0 373.331 2.583 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N3CCC4(C[NH+](C)C4)C3)cc2[N+](=O)[O-])C1 ZINC000590335416 519203155 /nfs/dbraw/zinc/20/31/55/519203155.db2.gz GQXCFGYVNORDGN-OAHLLOKOSA-N 1 0 372.469 2.609 20 5 FFBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([NH+](C)C)[C@H]1C ZINC000590567155 519268811 /nfs/dbraw/zinc/26/88/11/519268811.db2.gz YFDBZHQPSZFUAZ-QMTHXVAHSA-N 1 0 370.247 2.830 20 5 FFBDRO COc1cc(CN2CCN(c3ccc([N+](=O)[O-])nc3)CC2)ccc1Cl ZINC000568956507 519302067 /nfs/dbraw/zinc/30/20/67/519302067.db2.gz BYKOUAXOONUCHK-UHFFFAOYSA-N 1 0 362.817 2.974 20 5 FFBDRO Cc1cccc2c(CC[NH2+]C[C@H](O)COc3ccccc3[N+](=O)[O-])c[nH]c21 ZINC000574749997 519313719 /nfs/dbraw/zinc/31/37/19/519313719.db2.gz GEUWFMQYGZWLQH-INIZCTEOSA-N 1 0 369.421 2.957 20 5 FFBDRO O=C(CC[NH2+]Cc1cccc2c1OCCCO2)Nc1ccccc1[N+](=O)[O-] ZINC000566117291 519313840 /nfs/dbraw/zinc/31/38/40/519313840.db2.gz UDTLSNRDUHZVGX-UHFFFAOYSA-N 1 0 371.393 2.875 20 5 FFBDRO [NH3+][C@@H]1CCc2ncc(NC(=O)CCCNc3ccc([N+](=O)[O-])cc3)cc2C1 ZINC000574758377 519317509 /nfs/dbraw/zinc/31/75/09/519317509.db2.gz XKJFHGPVKUMAPU-CQSZACIVSA-N 1 0 369.425 2.637 20 5 FFBDRO CC(C)[C@@H](C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000566129109 519318990 /nfs/dbraw/zinc/31/89/90/519318990.db2.gz WJEIHVQWQBBYRL-IAGOWNOFSA-N 1 0 366.849 2.835 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]C[C@@H](O)COc1ccccc1 ZINC000566130408 519320468 /nfs/dbraw/zinc/32/04/68/519320468.db2.gz JRHBWJJCQFALEF-OAHLLOKOSA-N 1 0 350.802 2.820 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC[C@H]([NH+]3[C@@H](C)CC[C@@H]3C)C2)n1 ZINC000574933659 519412217 /nfs/dbraw/zinc/41/22/17/519412217.db2.gz BLKNABGOMXHOIT-IHRRRGAJSA-N 1 0 362.430 2.618 20 5 FFBDRO CC[NH+]1CCC(CN[C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000580908554 519421820 /nfs/dbraw/zinc/42/18/20/519421820.db2.gz SXNNQGBYRNBHLQ-SFHVURJKSA-N 1 0 357.458 2.739 20 5 FFBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000590926382 519438159 /nfs/dbraw/zinc/43/81/59/519438159.db2.gz OGIPBPXYRCMRHV-FUHWJXTLSA-N 1 0 360.458 2.968 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000581126256 519535197 /nfs/dbraw/zinc/53/51/97/519535197.db2.gz ZPGOHASKTGQYLN-WCQYABFASA-N 1 0 355.822 2.745 20 5 FFBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CC[C@H](c2ccncc2)C1 ZINC000581141061 519544186 /nfs/dbraw/zinc/54/41/86/519544186.db2.gz UPHDIIGMYOWNSR-HNNXBMFYSA-N 1 0 368.393 2.777 20 5 FFBDRO C[N@@H+]1CCN(CCOc2cccc([N+](=O)[O-])c2)C[C@@H]1Cc1ccccc1 ZINC000566564338 519554028 /nfs/dbraw/zinc/55/40/28/519554028.db2.gz OPFOFJRQQRLBIO-IBGZPJMESA-N 1 0 355.438 2.832 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000581184672 519564875 /nfs/dbraw/zinc/56/48/75/519564875.db2.gz DZGUJEWQXHNUFQ-JTQLQIEISA-N 1 0 353.806 2.931 20 5 FFBDRO O=C(CC[NH2+][C@@H]1CCO[C@@]2(CCSC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000575248890 519572445 /nfs/dbraw/zinc/57/24/45/519572445.db2.gz XJXJMSDHRCCDRL-DYVFJYSZSA-N 1 0 365.455 2.568 20 5 FFBDRO CC1([NH3+])CCN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000591357222 519607087 /nfs/dbraw/zinc/60/70/87/519607087.db2.gz MYWDSHZRJJRZBX-UHFFFAOYSA-N 1 0 360.336 2.636 20 5 FFBDRO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000591357238 519607600 /nfs/dbraw/zinc/60/76/00/519607600.db2.gz SNAFJLUAPNFQEK-BXUZGUMPSA-N 1 0 372.347 2.507 20 5 FFBDRO O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000591362343 519608416 /nfs/dbraw/zinc/60/84/16/519608416.db2.gz ALZLDEUARTUMBR-XMTFNYHQSA-N 1 0 372.469 2.872 20 5 FFBDRO O=[N+]([O-])c1cc(C[NH2+]C2CCN([C@H]3CCOC3)CC2)cc(C(F)(F)F)c1 ZINC000594501403 520004295 /nfs/dbraw/zinc/00/42/95/520004295.db2.gz UTKLGQSAUARXII-HNNXBMFYSA-N 1 0 373.375 2.957 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@@H]2CCc3ccccc3C2)c1 ZINC000591741457 520018046 /nfs/dbraw/zinc/01/80/46/520018046.db2.gz MCSBZCQAOSPELV-DNVCBOLYSA-N 1 0 356.422 2.729 20 5 FFBDRO Cn1cc(CC[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC000594732806 520121680 /nfs/dbraw/zinc/12/16/80/520121680.db2.gz OBHRHUMFJFFKQK-QGZVFWFLSA-N 1 0 369.421 2.659 20 5 FFBDRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000597605701 520132719 /nfs/dbraw/zinc/13/27/19/520132719.db2.gz SAGQLQMGLWTENS-GFCCVEGCSA-N 1 0 357.357 2.753 20 5 FFBDRO C[N@@H+]1CCCC12CCN(C(=O)Cn1ccc3cc([N+](=O)[O-])ccc31)CC2 ZINC000612850122 520184485 /nfs/dbraw/zinc/18/44/85/520184485.db2.gz PJEVJFOCKWZJMX-UHFFFAOYSA-N 1 0 356.426 2.636 20 5 FFBDRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)C2 ZINC000597711917 520192229 /nfs/dbraw/zinc/19/22/29/520192229.db2.gz XMOFMDGRZANGEL-QGZVFWFLSA-N 1 0 369.368 2.754 20 5 FFBDRO O=[N+]([O-])c1ccccc1C[N@@H+](CCOCC(F)F)[C@H]1CC[C@H](O)CC1 ZINC000592132967 520207606 /nfs/dbraw/zinc/20/76/06/520207606.db2.gz QHBWODUEUSQNMY-SHTZXODSSA-N 1 0 358.385 2.982 20 5 FFBDRO CO[C@H](C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CCOC1 ZINC000594948858 520224677 /nfs/dbraw/zinc/22/46/77/520224677.db2.gz AVBKHQYMYAZTDH-CZUORRHYSA-N 1 0 363.439 2.859 20 5 FFBDRO CS(=O)(=O)C1(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCCCC1 ZINC000594974774 520235959 /nfs/dbraw/zinc/23/59/59/520235959.db2.gz IOBBBRYTEYSQKW-VQHVLOKHSA-N 1 0 352.456 2.945 20 5 FFBDRO Cn1cc(C[C@H]2CCC[C@@H]2[NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)cn1 ZINC000594980808 520242846 /nfs/dbraw/zinc/24/28/46/520242846.db2.gz SPMHYOQFFDBBOR-KDOFPFPSSA-N 1 0 372.425 2.696 20 5 FFBDRO CCO[C@@H]1C[C@@H]([NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@@H]1SC ZINC000592173999 520245349 /nfs/dbraw/zinc/24/53/49/520245349.db2.gz GHGMWTBXJCPRHC-INMHGKMJSA-N 1 0 367.471 2.730 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](C(C)C)C1(CO)CC=CC1 ZINC000592178076 520246995 /nfs/dbraw/zinc/24/69/95/520246995.db2.gz OPLJCGXMRXSQAP-SFHVURJKSA-N 1 0 361.442 2.785 20 5 FFBDRO O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1NC[C@H]1CSCC[NH2+]1 ZINC000603418558 520256603 /nfs/dbraw/zinc/25/66/03/520256603.db2.gz GBCXFAFBYRGIFY-ZETCQYMHSA-N 1 0 372.319 2.761 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C1CCC(CS(C)(=O)=O)CC1 ZINC000595042119 520267093 /nfs/dbraw/zinc/26/70/93/520267093.db2.gz PEBKIMLARRHZQD-IYXRBSQSSA-N 1 0 370.471 2.857 20 5 FFBDRO Cn1ccnc1[C@@H](N[C@@H]1CC[N@@H+](C(C)(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000595056353 520272295 /nfs/dbraw/zinc/27/22/95/520272295.db2.gz FOPMTLYOKMYXIM-WBVHZDCISA-N 1 0 357.458 2.880 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000597855649 520283962 /nfs/dbraw/zinc/28/39/62/520283962.db2.gz UIEKUYDYJJWXMU-AWEZNQCLSA-N 1 0 371.441 2.631 20 5 FFBDRO CCOc1ccc([C@@H](C)[NH2+]C2CCN([C@@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000595106580 520297293 /nfs/dbraw/zinc/29/72/93/520297293.db2.gz VKZIXAQCNATUIO-RHSMWYFYSA-N 1 0 363.458 2.897 20 5 FFBDRO CCCc1n[nH]c(C(=O)NCC2([NH+](C)C)CCCCCC2)c1[N+](=O)[O-] ZINC000609471747 520323392 /nfs/dbraw/zinc/32/33/92/520323392.db2.gz BEBWDVROLIILFE-UHFFFAOYSA-N 1 0 351.451 2.655 20 5 FFBDRO C[C@](CO)([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000609483838 520326270 /nfs/dbraw/zinc/32/62/70/520326270.db2.gz KDWITSBHOHQDJF-QGZVFWFLSA-N 1 0 363.801 2.684 20 5 FFBDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000609489453 520329670 /nfs/dbraw/zinc/32/96/70/520329670.db2.gz NWFSIEQLNBMCGE-HNNXBMFYSA-N 1 0 363.458 2.990 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000597942762 520342977 /nfs/dbraw/zinc/34/29/77/520342977.db2.gz NSNDEYPIDGHKTL-HNNXBMFYSA-N 1 0 364.490 2.522 20 5 FFBDRO CCN(C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CC[N@H+](C)C1 ZINC000597945598 520343880 /nfs/dbraw/zinc/34/38/80/520343880.db2.gz JLGTWAUTTLSRTR-AWEZNQCLSA-N 1 0 360.439 2.885 20 5 FFBDRO CCN(C(=O)c1ccc([N+](=O)[O-])cc1Br)[C@@H]1CC[N@H+](C)C1 ZINC000597944999 520344063 /nfs/dbraw/zinc/34/40/63/520344063.db2.gz GETLWDZNSRNFKO-LLVKDONJSA-N 1 0 356.220 2.524 20 5 FFBDRO O=C([C@@H]1CCC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1)N1CCCC1 ZINC000609552837 520355508 /nfs/dbraw/zinc/35/55/08/520355508.db2.gz FBVCQJOEXQGRCI-MRXNPFEDSA-N 1 0 361.442 2.698 20 5 FFBDRO Cc1cc(C(=O)N2CC[C@H](c3cccc(F)c3)[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000595224334 520358327 /nfs/dbraw/zinc/35/83/27/520358327.db2.gz DBSXFEQCVYPAPM-IAGOWNOFSA-N 1 0 357.385 2.999 20 5 FFBDRO C[C@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)C1CC[NH+](C)CC1 ZINC000609583786 520366369 /nfs/dbraw/zinc/36/63/69/520366369.db2.gz VOWVDQKZTKWTCL-HNNXBMFYSA-N 1 0 374.485 2.658 20 5 FFBDRO Cc1c(C[NH+]2CCC(C(=O)NCC(F)(F)F)CC2)cccc1[N+](=O)[O-] ZINC000603841075 520374725 /nfs/dbraw/zinc/37/47/25/520374725.db2.gz VXLKFSYTOHHGSH-UHFFFAOYSA-N 1 0 359.348 2.794 20 5 FFBDRO O=C(CCNc1ccccc1[N+](=O)[O-])Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000595256574 520375224 /nfs/dbraw/zinc/37/52/24/520375224.db2.gz CRCUDZLNKLOUQG-GOSISDBHSA-N 1 0 370.409 2.696 20 5 FFBDRO [NH3+][C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)CC[C@H]1F ZINC000595260732 520376861 /nfs/dbraw/zinc/37/68/61/520376861.db2.gz KLJIZKJCBFTQCE-HZPDHXFCSA-N 1 0 359.357 2.898 20 5 FFBDRO CC(C)[C@H]([NH3+])CCNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000595276303 520382712 /nfs/dbraw/zinc/38/27/12/520382712.db2.gz XNYWJRPOINKBHD-QGZVFWFLSA-N 1 0 364.446 2.521 20 5 FFBDRO O=C(NCC1CC[NH+](Cc2ccncc2)CC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000598062956 520406792 /nfs/dbraw/zinc/40/67/92/520406792.db2.gz YERUYVBXFPZDPX-UHFFFAOYSA-N 1 0 372.400 2.771 20 5 FFBDRO CC(C)OC(=O)C[C@H](NC(=O)CCC(C)(C)[NH3+])c1ccccc1[N+](=O)[O-] ZINC000592480772 520406941 /nfs/dbraw/zinc/40/69/41/520406941.db2.gz FXEZQSMXRSDHRK-AWEZNQCLSA-N 1 0 365.430 2.611 20 5 FFBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000603929292 520407095 /nfs/dbraw/zinc/40/70/95/520407095.db2.gz JAVSISHMAUACRI-OAHLLOKOSA-N 1 0 354.410 2.641 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2noc(CN3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)n2)cc1 ZINC000592478414 520407549 /nfs/dbraw/zinc/40/75/49/520407549.db2.gz APRVUNOHHGYVIQ-ZBFHGGJFSA-N 1 0 357.414 2.609 20 5 FFBDRO C[C@@H](c1ccccc1)[C@H](CO)[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000609708081 520410822 /nfs/dbraw/zinc/41/08/22/520410822.db2.gz CIYDBIJSENUXIE-UGSOOPFHSA-N 1 0 358.394 2.716 20 5 FFBDRO COc1cc(CN2CC[NH2+]C[C@@H]2C(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000600713655 520414159 /nfs/dbraw/zinc/41/41/59/520414159.db2.gz DGSGFNMSBRCRSP-CYBMUJFWSA-N 1 0 359.373 2.635 20 5 FFBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000609730672 520416709 /nfs/dbraw/zinc/41/67/09/520416709.db2.gz GIPFGBBZIHKSFK-CYBMUJFWSA-N 1 0 369.849 2.864 20 5 FFBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000603983594 520423137 /nfs/dbraw/zinc/42/31/37/520423137.db2.gz ZJULWDFLJVDNPK-ZIAGYGMSSA-N 1 0 369.487 2.550 20 5 FFBDRO C[C@@]1(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])COc2ccccc2O1 ZINC000600744432 520440642 /nfs/dbraw/zinc/44/06/42/520440642.db2.gz FRBWOMIMCDHLKK-LJQANCHMSA-N 1 0 371.393 2.743 20 5 FFBDRO COc1ccc(CNC(=O)NCC[NH+](C(C)C)C(C)C)cc1[N+](=O)[O-] ZINC000604082352 520445067 /nfs/dbraw/zinc/44/50/67/520445067.db2.gz XSBUKCPVUCMSAN-UHFFFAOYSA-N 1 0 352.435 2.521 20 5 FFBDRO CC(C)N1CC[NH+](C2CCN(Cc3ccc(F)cc3[N+](=O)[O-])CC2)CC1 ZINC000595404365 520449150 /nfs/dbraw/zinc/44/91/50/520449150.db2.gz WTTIOLWTSYXLCL-UHFFFAOYSA-N 1 0 364.465 2.724 20 5 FFBDRO Cc1noc(CN(C)[C@H](CO)c2cccc(Br)c2)c1[N+](=O)[O-] ZINC000595410704 520453082 /nfs/dbraw/zinc/45/30/82/520453082.db2.gz XTYOJZFSQNGGLZ-GFCCVEGCSA-N 1 0 370.203 2.819 20 5 FFBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592554625 520453829 /nfs/dbraw/zinc/45/38/29/520453829.db2.gz LIZJKCGNFKCALO-GJZGRUSLSA-N 1 0 363.483 2.925 20 5 FFBDRO COc1ccc(C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000604181615 520472827 /nfs/dbraw/zinc/47/28/27/520472827.db2.gz RDKUWSQXKUKRND-INIZCTEOSA-N 1 0 361.373 2.775 20 5 FFBDRO CN(Cc1ccc(F)cc1[N+](=O)[O-])C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000595448404 520477756 /nfs/dbraw/zinc/47/77/56/520477756.db2.gz KBBFLSIEVXGRGF-HXUWFJFHSA-N 1 0 373.428 2.803 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N[C@@H]3CCC[N@H+](C)C3)cc2[N+](=O)[O-])CC1 ZINC000604198252 520483519 /nfs/dbraw/zinc/48/35/19/520483519.db2.gz DUUHUTNHUIFPFG-MRXNPFEDSA-N 1 0 360.458 2.655 20 5 FFBDRO C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000598195846 520486726 /nfs/dbraw/zinc/48/67/26/520486726.db2.gz UPDPVYQBEMYTOM-KRWDZBQOSA-N 1 0 353.422 2.984 20 5 FFBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Br)[NH+]1CCCC1 ZINC000610063767 520522012 /nfs/dbraw/zinc/52/20/12/520522012.db2.gz GSLZWEJCBAGZRE-JTQLQIEISA-N 1 0 356.220 2.571 20 5 FFBDRO O=C(NCCc1ccccc1[N+](=O)[O-])NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000595522866 520527159 /nfs/dbraw/zinc/52/71/59/520527159.db2.gz PARLTDQONGQDIG-MRXNPFEDSA-N 1 0 360.458 2.559 20 5 FFBDRO O=[N+]([O-])c1cc(F)ccc1C[NH2+][C@@H](C1CCOCC1)C1(CO)CCC1 ZINC000595554091 520549334 /nfs/dbraw/zinc/54/93/34/520549334.db2.gz RQLWQPYVCHCHLT-KRWDZBQOSA-N 1 0 352.406 2.781 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000604446402 520564629 /nfs/dbraw/zinc/56/46/29/520564629.db2.gz LUXNZRHNOVOPBV-OLZOCXBDSA-N 1 0 369.849 2.864 20 5 FFBDRO Cn1c(C(=O)N2CCC([N@@H+]3CCc4ccccc4C3)CC2)ccc1[N+](=O)[O-] ZINC000604482560 520573341 /nfs/dbraw/zinc/57/33/41/520573341.db2.gz PYEFHBZITJRPSI-UHFFFAOYSA-N 1 0 368.437 2.596 20 5 FFBDRO CCN(CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H](C)C(=O)OC(C)(C)C ZINC000595599640 520582946 /nfs/dbraw/zinc/58/29/46/520582946.db2.gz ARAUUAUAYLYRSF-CYBMUJFWSA-N 1 0 365.430 2.976 20 5 FFBDRO COc1ccc(C[N@@H+]2CCCN(c3ncc(F)cc3[N+](=O)[O-])CC2)cc1 ZINC000601101657 520636101 /nfs/dbraw/zinc/63/61/01/520636101.db2.gz RJANRTNPQHDNFL-UHFFFAOYSA-N 1 0 360.389 2.850 20 5 FFBDRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000610359986 520650238 /nfs/dbraw/zinc/65/02/38/520650238.db2.gz GZBDHCHWULFIHR-WBVHZDCISA-N 1 0 356.426 2.635 20 5 FFBDRO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000601132594 520652036 /nfs/dbraw/zinc/65/20/36/520652036.db2.gz KHESSUQUQOAREJ-CMPLNLGQSA-N 1 0 373.379 2.800 20 5 FFBDRO COc1ccc(OCC[N@H+](C)Cc2ccc3c(c2)OCCO3)c([N+](=O)[O-])c1 ZINC000610367709 520652615 /nfs/dbraw/zinc/65/26/15/520652615.db2.gz YFQIZWBNNYADKX-UHFFFAOYSA-N 1 0 374.393 2.885 20 5 FFBDRO C[C@@](CO)([NH2+]Cc1ccc(O[C@H]2CCOC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000601150411 520661750 /nfs/dbraw/zinc/66/17/50/520661750.db2.gz XCIZJERAYXOZNW-PMACEKPBSA-N 1 0 372.421 2.760 20 5 FFBDRO Cc1cc(C(=O)N2CC3(CCCC3)OC[C@H]2C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000598536606 520688292 /nfs/dbraw/zinc/68/82/92/520688292.db2.gz UBNZTIFZKVRDQT-MRXNPFEDSA-N 1 0 361.442 2.619 20 5 FFBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000598538527 520689252 /nfs/dbraw/zinc/68/92/52/520689252.db2.gz ASKTZOBEWWYVBM-AWEZNQCLSA-N 1 0 369.849 2.739 20 5 FFBDRO C[C@H](CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000593028120 520693784 /nfs/dbraw/zinc/69/37/84/520693784.db2.gz CUDZHXKAUSYCEP-CQSZACIVSA-N 1 0 371.412 2.839 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@H](C(C)C)C2(CO)CCC2)c1 ZINC000593032329 520697428 /nfs/dbraw/zinc/69/74/28/520697428.db2.gz XOYSIWOZFZHNFU-MRXNPFEDSA-N 1 0 350.415 2.658 20 5 FFBDRO COc1cc(C[N@@H+]2C[C@@H]3COC[C@]3(C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000595756242 520701869 /nfs/dbraw/zinc/70/18/69/520701869.db2.gz FRMFUYJNALOUCD-PXAZEXFGSA-N 1 0 372.368 2.716 20 5 FFBDRO O=C(NC[C@H]1CCC[N@H+](CC2CC2)C1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000598559430 520705628 /nfs/dbraw/zinc/70/56/28/520705628.db2.gz HHFRKMIDMBBVIP-CQSZACIVSA-N 1 0 356.426 2.928 20 5 FFBDRO O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000598562525 520708546 /nfs/dbraw/zinc/70/85/46/520708546.db2.gz VVYUUDFFOQRPOY-AWEZNQCLSA-N 1 0 356.426 2.928 20 5 FFBDRO C[NH+](C)[C@@]1(CNC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CCSC1 ZINC000601276146 520720268 /nfs/dbraw/zinc/72/02/68/520720268.db2.gz IHMHFRKRAFSASL-QGZVFWFLSA-N 1 0 363.483 2.570 20 5 FFBDRO O=C1[C@H]([N@@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000595786254 520723569 /nfs/dbraw/zinc/72/35/69/520723569.db2.gz HDASYRNGCNDLSF-IPELMVKDSA-N 1 0 373.453 2.981 20 5 FFBDRO COC(=O)c1ccnc(NC[C@H](C2CCCCC2)[NH+](C)C)c1[N+](=O)[O-] ZINC000598588640 520727676 /nfs/dbraw/zinc/72/76/76/520727676.db2.gz AGYJUTRULATLRG-CQSZACIVSA-N 1 0 350.419 2.699 20 5 FFBDRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000610572528 520744671 /nfs/dbraw/zinc/74/46/71/520744671.db2.gz DUWRDFGBEAZDSK-GFCCVEGCSA-N 1 0 368.231 2.571 20 5 FFBDRO C[C@H]([NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C1CCC(F)CC1 ZINC000595819086 520745477 /nfs/dbraw/zinc/74/54/77/520745477.db2.gz MFVIEPXHJCDHIT-UNXYVOJBSA-N 1 0 367.377 2.768 20 5 FFBDRO CC(C)C[N@@H+](Cc1cccc(Cl)c1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000598647794 520760591 /nfs/dbraw/zinc/76/05/91/520760591.db2.gz JDBKJBOWPJIULK-KRWDZBQOSA-N 1 0 366.849 2.964 20 5 FFBDRO COc1cc(C[N@@H+]2C[C@@H](C)[C@](C)(CO)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000595869491 520779310 /nfs/dbraw/zinc/77/93/10/520779310.db2.gz DLKDUKGQIDYTCR-DIFFPNOSSA-N 1 0 374.384 2.698 20 5 FFBDRO C[C@@H]1[C@@H](C)[N@@H+](C)C[C@H](C)N1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000593188213 520811946 /nfs/dbraw/zinc/81/19/46/520811946.db2.gz YXEYODZNLONPBX-RRFJBIMHSA-N 1 0 360.458 2.748 20 5 FFBDRO COc1cc(C(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)cc([N+](=O)[O-])c1C ZINC000595935593 520832275 /nfs/dbraw/zinc/83/22/75/520832275.db2.gz GCBMTRFLYGXXSM-HNNXBMFYSA-N 1 0 361.442 2.764 20 5 FFBDRO CNc1ccc(C(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)cc1[N+](=O)[O-] ZINC000595944028 520833291 /nfs/dbraw/zinc/83/32/91/520833291.db2.gz UDGIOONDWCKLKN-KRWDZBQOSA-N 1 0 356.382 2.550 20 5 FFBDRO C[C@H](Nc1ccc(C(=O)N(C)CC(C)(C)[NH3+])cc1[N+](=O)[O-])c1ccccn1 ZINC000595947604 520836257 /nfs/dbraw/zinc/83/62/57/520836257.db2.gz SHDGPKUDCZHTEA-ZDUSSCGKSA-N 1 0 371.441 2.972 20 5 FFBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595960941 520837221 /nfs/dbraw/zinc/83/72/21/520837221.db2.gz GTTXNAAFGKYNGD-MRXNPFEDSA-N 1 0 361.442 2.602 20 5 FFBDRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C1(c3ccc([N+](=O)[O-])cc3)CCC1)C2 ZINC000601614578 520866114 /nfs/dbraw/zinc/86/61/14/520866114.db2.gz XIOOIUNLWAMPQR-IBGZPJMESA-N 1 0 357.454 2.961 20 5 FFBDRO COc1cc(C[NH+](C)C)ccc1NC(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000601620128 520869268 /nfs/dbraw/zinc/86/92/68/520869268.db2.gz HAANALKDSOBLSW-UHFFFAOYSA-N 1 0 359.382 2.926 20 5 FFBDRO COc1cc(C[NH+](C)C)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000601623410 520870745 /nfs/dbraw/zinc/87/07/45/520870745.db2.gz ZPQCMQQCGNOOCE-UHFFFAOYSA-N 1 0 359.382 2.926 20 5 FFBDRO Cc1cc(C(=O)N2CC[C@H](OCC[NH+]3CCCCC3)C2)cc([N+](=O)[O-])c1 ZINC000610886907 520893272 /nfs/dbraw/zinc/89/32/72/520893272.db2.gz CPKBSPISPDQQSD-SFHVURJKSA-N 1 0 361.442 2.620 20 5 FFBDRO COc1cc(NCCCC[NH+]2CCN(C)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596075957 520897749 /nfs/dbraw/zinc/89/77/49/520897749.db2.gz KZVNFKYGDAURHL-UHFFFAOYSA-N 1 0 356.854 2.696 20 5 FFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000598914461 520915223 /nfs/dbraw/zinc/91/52/23/520915223.db2.gz FLYONYQVTFJYCQ-ZDUSSCGKSA-N 1 0 350.394 2.977 20 5 FFBDRO CC1([NH+]2CCCC2)CCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000601737090 520925636 /nfs/dbraw/zinc/92/56/36/520925636.db2.gz CREZDHQDYHZEBB-UHFFFAOYSA-N 1 0 367.396 2.892 20 5 FFBDRO O=[N+]([O-])c1cncc(Cl)c1NCC1([NH+]2CCCCC2)CCOCC1 ZINC000596133991 520933052 /nfs/dbraw/zinc/93/30/52/520933052.db2.gz IJQLGMGORBEYRZ-UHFFFAOYSA-N 1 0 354.838 2.512 20 5 FFBDRO CCC1([NH+](C)C)CCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000601791619 520955497 /nfs/dbraw/zinc/95/54/97/520955497.db2.gz MIOAOWVKLUNHIU-UHFFFAOYSA-N 1 0 371.441 2.727 20 5 FFBDRO C[NH+](C)[C@@H](CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-])c1cccc(F)c1 ZINC000593392217 520960659 /nfs/dbraw/zinc/96/06/59/520960659.db2.gz QIYGGPMIDZTVKE-KRWDZBQOSA-N 1 0 363.364 2.835 20 5 FFBDRO COc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC(=O)N3C3CC3)C2)cc1[N+](=O)[O-] ZINC000611072244 520971600 /nfs/dbraw/zinc/97/16/00/520971600.db2.gz BGZNFYROGILDKC-GOEBONIOSA-N 1 0 359.426 2.579 20 5 FFBDRO COC(=O)c1c(Cl)c(N2CC[C@@]3(C2)CCC[N@H+](C)C3)ccc1[N+](=O)[O-] ZINC000596243051 520990697 /nfs/dbraw/zinc/99/06/97/520990697.db2.gz FONXUZCBHQCNJP-KRWDZBQOSA-N 1 0 367.833 2.957 20 5 FFBDRO CC(C)[NH2+]C1(CO)CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1 ZINC000596251787 520994366 /nfs/dbraw/zinc/99/43/66/520994366.db2.gz YCXOJMHMNHRFLY-UHFFFAOYSA-N 1 0 370.453 2.986 20 5 FFBDRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596270744 521002727 /nfs/dbraw/zinc/00/27/27/521002727.db2.gz HLNRYEVYQPFKBF-NVXWUHKLSA-N 1 0 372.425 2.644 20 5 FFBDRO CC[N@@H+]1CCCN(c2ccc([N+](=O)[O-])c(C(=O)OC)c2Cl)[C@H](C)C1 ZINC000596270236 521003149 /nfs/dbraw/zinc/00/31/49/521003149.db2.gz XEXRNDBWEPWCPW-LLVKDONJSA-N 1 0 355.822 2.955 20 5 FFBDRO CC[NH+](CC)C[C@@H](C)NC(=O)c1cccc(Cn2nc([N+](=O)[O-])cc2C)c1 ZINC000593467375 521012853 /nfs/dbraw/zinc/01/28/53/521012853.db2.gz POLQZUYHCIKULZ-CQSZACIVSA-N 1 0 373.457 2.608 20 5 FFBDRO Cc1nc(N2CCO[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000593496581 521031908 /nfs/dbraw/zinc/03/19/08/521031908.db2.gz SNBAZHDMXYKIDF-OALUTQOASA-N 1 0 368.437 2.778 20 5 FFBDRO C[C@@H]1CN(c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000599110083 521036545 /nfs/dbraw/zinc/03/65/45/521036545.db2.gz FYHZJRSTXKHENF-OCAPTIKFSA-N 1 0 354.279 2.831 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCn2ccc(C(F)(F)F)n2)n1 ZINC000601963837 521045287 /nfs/dbraw/zinc/04/52/87/521045287.db2.gz NZAVKPGNJYAMPL-NWDGAFQWSA-N 1 0 372.351 2.780 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CC2([C@H]3CCCCO3)CCC2)c1 ZINC000601969376 521046445 /nfs/dbraw/zinc/04/64/45/521046445.db2.gz QMGBRIRSFPHWDN-SJLPKXTDSA-N 1 0 364.442 2.664 20 5 FFBDRO CC1([NH+]2CCOCC2)CCN(c2nc3c(cc2[N+](=O)[O-])CCCC3)CC1 ZINC000599160218 521063156 /nfs/dbraw/zinc/06/31/56/521063156.db2.gz KFKRXCVUZDJJEL-UHFFFAOYSA-N 1 0 360.458 2.560 20 5 FFBDRO COc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])cn2C)[NH+]2CCCC2)cc1 ZINC000618441210 521065139 /nfs/dbraw/zinc/06/51/39/521065139.db2.gz ACPHCVGPZXEPGA-SFHVURJKSA-N 1 0 372.425 2.509 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ccc(CN3CC[NH+]([C@H]4CCC[C@H]4O)CC3)o2)cc1 ZINC000611268383 521067851 /nfs/dbraw/zinc/06/78/51/521067851.db2.gz DBSUJMUYCVDXHA-RBUKOAKNSA-N 1 0 371.437 2.886 20 5 FFBDRO O=[N+]([O-])c1ccccc1-c1ccc(CN2CCC([NH2+]CCO)CC2)s1 ZINC000602021506 521083083 /nfs/dbraw/zinc/08/30/83/521083083.db2.gz OZMSJCKEFXXXMB-UHFFFAOYSA-N 1 0 361.467 2.870 20 5 FFBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000599203664 521084665 /nfs/dbraw/zinc/08/46/65/521084665.db2.gz MWGRARRCXPQFSM-GOSISDBHSA-N 1 0 360.458 2.796 20 5 FFBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000599203757 521085899 /nfs/dbraw/zinc/08/58/99/521085899.db2.gz POODYXFDEQOCSJ-QGZVFWFLSA-N 1 0 360.458 2.796 20 5 FFBDRO O=C(c1c(Br)cccc1[N+](=O)[O-])N1CC[C@H]([NH+]2CCCC2)C1 ZINC000599283797 521127160 /nfs/dbraw/zinc/12/71/60/521127160.db2.gz DPKPIJSMJAMAOK-NSHDSACASA-N 1 0 368.231 2.668 20 5 FFBDRO CC1(C)Cc2n[nH]cc2C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000596596762 521154233 /nfs/dbraw/zinc/15/42/33/521154233.db2.gz FFSZJALFZZBJLY-UHFFFAOYSA-N 1 0 357.414 2.731 20 5 FFBDRO CCc1ccc([C@H]([NH2+]CC[C@@]2(O)CCOC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000593723213 521176189 /nfs/dbraw/zinc/17/61/89/521176189.db2.gz SMXWBEFVXAXILB-RTBURBONSA-N 1 0 360.410 2.971 20 5 FFBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000611523786 521200886 /nfs/dbraw/zinc/20/08/86/521200886.db2.gz OMCPXOIAMSSHBG-OAHLLOKOSA-N 1 0 368.865 2.964 20 5 FFBDRO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@H](OC(F)F)C2)c([N+](=O)[O-])c1 ZINC000611577758 521233079 /nfs/dbraw/zinc/23/30/79/521233079.db2.gz KRZUYVRLPSNVTL-LBPRGKRZSA-N 1 0 373.356 2.636 20 5 FFBDRO CC(C)c1n[nH]c(C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1[N+](=O)[O-] ZINC000611583185 521236746 /nfs/dbraw/zinc/23/67/46/521236746.db2.gz LWRPCQVLPSZLNQ-STQMWFEESA-N 1 0 363.462 2.824 20 5 FFBDRO CN(CCCC[NH+](C)C)C(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599536799 521282331 /nfs/dbraw/zinc/28/23/31/521282331.db2.gz SOKIUBSEKUTLHJ-UHFFFAOYSA-N 1 0 358.236 2.771 20 5 FFBDRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3)C2)C1 ZINC000593912370 521287744 /nfs/dbraw/zinc/28/77/44/521287744.db2.gz MFIWEXNDOCMSBG-DJSGYFEHSA-N 1 0 367.833 2.607 20 5 FFBDRO CCOc1cc(NC(=O)N[C@H]2CC[C@H](C)[NH2+]C2)c([N+](=O)[O-])cc1OCC ZINC000599598558 521320450 /nfs/dbraw/zinc/32/04/50/521320450.db2.gz GCOQWTQFKWGRBN-RYUDHWBXSA-N 1 0 366.418 2.654 20 5 FFBDRO Cc1c(NC(=O)N[C@@H]2CC[NH2+][C@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC000599606206 521327149 /nfs/dbraw/zinc/32/71/49/521327149.db2.gz LWDULWUCHOPCPY-WCBMZHEXSA-N 1 0 357.208 2.538 20 5 FFBDRO C[C@H](NC(=O)Nc1ccc2c(c1)OCC[NH2+]C2)c1cccc([N+](=O)[O-])c1 ZINC000599619159 521337340 /nfs/dbraw/zinc/33/73/40/521337340.db2.gz SLMZRHRPRVDBAO-LBPRGKRZSA-N 1 0 356.382 2.960 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000596868494 521342977 /nfs/dbraw/zinc/34/29/77/521342977.db2.gz ZGZRLRSNCHSTTA-HNNXBMFYSA-N 1 0 364.446 2.786 20 5 FFBDRO C[C@H]1C[C@@H](N(C)Cc2cn(C)nc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000602472323 521362942 /nfs/dbraw/zinc/36/29/42/521362942.db2.gz DZEJDPCQHDCLRZ-YJBOKZPZSA-N 1 0 357.458 2.813 20 5 FFBDRO CCC[N@@H+]1CC[C@H](NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000596899115 521366925 /nfs/dbraw/zinc/36/69/25/521366925.db2.gz BSSJJSSPAIMOEH-NSHDSACASA-N 1 0 371.235 2.963 20 5 FFBDRO CC[C@@H]([NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)[C@H]1CCCCO1 ZINC000594042682 521369052 /nfs/dbraw/zinc/36/90/52/521369052.db2.gz NFZVLZIVYZRZOH-GDBMZVCRSA-N 1 0 363.414 2.830 20 5 FFBDRO COc1cccc(C[C@H]([NH3+])C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000602498743 521380224 /nfs/dbraw/zinc/38/02/24/521380224.db2.gz GMSJSMGBAMZLLF-SFHVURJKSA-N 1 0 369.421 2.664 20 5 FFBDRO CCc1ccc(C(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000602542127 521402344 /nfs/dbraw/zinc/40/23/44/521402344.db2.gz UDECNSKHNLNXPR-STQMWFEESA-N 1 0 359.348 2.757 20 5 FFBDRO [NH3+]C[C@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC[C@@H]1C(F)(F)F ZINC000602540249 521402357 /nfs/dbraw/zinc/40/23/57/521402357.db2.gz KSWHENNIGUHTJR-JSGCOSHPSA-N 1 0 359.348 2.513 20 5 FFBDRO Cn1nc(C(=O)OC(C)(C)C)cc1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602543312 521403865 /nfs/dbraw/zinc/40/38/65/521403865.db2.gz ANHMWAKGRFROIP-UHFFFAOYSA-N 1 0 360.414 2.616 20 5 FFBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)[C@H]1OC ZINC000602616729 521440421 /nfs/dbraw/zinc/44/04/21/521440421.db2.gz NFTBVLKTYJTUJX-HBNTYKKESA-N 1 0 365.249 2.701 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CCCC34CCOCC4)CC2)cn1 ZINC000602653323 521459400 /nfs/dbraw/zinc/45/94/00/521459400.db2.gz PAHNNQZXOJUPBH-QGZVFWFLSA-N 1 0 360.458 2.898 20 5 FFBDRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000594195165 521461680 /nfs/dbraw/zinc/46/16/80/521461680.db2.gz CNIPVYMHZYGHGK-RDJZCZTQSA-N 1 0 354.410 2.890 20 5 FFBDRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000594198653 521464342 /nfs/dbraw/zinc/46/43/42/521464342.db2.gz UIHDLABNHTWJSU-QWHCGFSZSA-N 1 0 369.368 2.943 20 5 FFBDRO CC(C)[C@H]1C[C@@H](C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCO1 ZINC000602684018 521479079 /nfs/dbraw/zinc/47/90/79/521479079.db2.gz DPMNUBRRFHWQHD-MAUKXSAKSA-N 1 0 362.474 2.999 20 5 FFBDRO COc1ccc(F)c(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1 ZINC000602713479 521490986 /nfs/dbraw/zinc/49/09/86/521490986.db2.gz BYAIBTNIKMGPQX-UHFFFAOYSA-N 1 0 360.389 2.896 20 5 FFBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597091542 521497893 /nfs/dbraw/zinc/49/78/93/521497893.db2.gz CMJOSTQODKWYCQ-GWCFXTLKSA-N 1 0 367.837 2.921 20 5 FFBDRO COc1cc(C[NH2+][C@H]2COC(C)(C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000597173382 521554851 /nfs/dbraw/zinc/55/48/51/521554851.db2.gz MTCBMDGUBUOAKI-LLVKDONJSA-N 1 0 360.357 2.904 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+]C1(Cc2cccc(F)c2)CCOCC1 ZINC000602833473 521560355 /nfs/dbraw/zinc/56/03/55/521560355.db2.gz VGGNUDCHJQXPMJ-UHFFFAOYSA-N 1 0 362.405 2.620 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000602836018 521561609 /nfs/dbraw/zinc/56/16/09/521561609.db2.gz CGUNHOJTMXZEQF-WBVHZDCISA-N 1 0 363.849 2.788 20 5 FFBDRO CN(c1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000615942195 521583993 /nfs/dbraw/zinc/58/39/93/521583993.db2.gz FOPLJHPTFOYUKH-OAHLLOKOSA-N 1 0 352.866 2.853 20 5 FFBDRO COc1cccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])n2C)[NH+]2CCCC2)c1 ZINC000619525431 521752721 /nfs/dbraw/zinc/75/27/21/521752721.db2.gz ZGZYXUDQLPWIDX-KRWDZBQOSA-N 1 0 372.425 2.509 20 5 FFBDRO Cc1c(NC(=O)N[C@H]2CCC[N@@H+](C)C2)cc(Br)cc1[N+](=O)[O-] ZINC000619541083 521758936 /nfs/dbraw/zinc/75/89/36/521758936.db2.gz FEQICVJHIFCANR-NSHDSACASA-N 1 0 371.235 2.881 20 5 FFBDRO CNc1nccc(C(=O)N(CC[NH+]2CCCC2)c2ccccc2)c1[N+](=O)[O-] ZINC000515310453 562004618 /nfs/dbraw/zinc/00/46/18/562004618.db2.gz RXCUTCOWIWALKL-UHFFFAOYSA-N 1 0 369.425 2.774 20 5 FFBDRO C[NH+](C)C1(CNc2ccc(-c3nn[nH]n3)c([N+](=O)[O-])c2)CCCCCC1 ZINC000821581574 606644784 /nfs/dbraw/zinc/64/47/84/606644784.db2.gz PEPKWMBNUFUCTG-UHFFFAOYSA-N 1 0 359.434 2.841 20 5 FFBDRO C[C@@H]([NH2+]CCCOc1ccc(-c2nn[nH]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000824593711 608468534 /nfs/dbraw/zinc/46/85/34/608468534.db2.gz SEPWHAJZRTWYEO-CYBMUJFWSA-N 1 0 368.397 2.895 20 5 FFBDRO C[C@H]([NH2+]CCCOc1cccc(-c2nn[nH]n2)c1)c1ccccc1[N+](=O)[O-] ZINC000824593954 608564028 /nfs/dbraw/zinc/56/40/28/608564028.db2.gz UWSIIPITXGJPHU-ZDUSSCGKSA-N 1 0 368.397 2.895 20 5 FFBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164625860 719087457 /nfs/dbraw/zinc/08/74/57/719087457.db2.gz HESZIOCQDDWPKB-IEBWSBKVSA-N 1 0 368.437 2.637 20 5 FFBDRO COc1cc(C)nc(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)c1[N+](=O)[O-] ZINC001164722585 720373718 /nfs/dbraw/zinc/37/37/18/720373718.db2.gz DOOAIGWTLNLREM-HOTGVXAUSA-N 1 0 369.425 2.555 20 5 FFBDRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2ncc([N+](=O)[O-])c3ccccc32)C1 ZINC001164726686 720513086 /nfs/dbraw/zinc/51/30/86/720513086.db2.gz CTDRAPWRISZDJJ-CQSZACIVSA-N 1 0 366.425 2.538 20 5 FFBDRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1nc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001164928950 721860784 /nfs/dbraw/zinc/86/07/84/721860784.db2.gz PEYLBJJEWOCVGD-NWDGAFQWSA-N 1 0 374.272 2.511 20 5 FFBDRO C[C@H]1SCCN(CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)[C@@H]1C ZINC000154754528 728811264 /nfs/dbraw/zinc/81/12/64/728811264.db2.gz QOXIFKSGUAYVEA-CHWSQXEVSA-N 1 0 350.444 2.620 20 5 FFBDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000746570867 735494771 /nfs/dbraw/zinc/49/47/71/735494771.db2.gz SJZXGXQYPJDDQW-AWEZNQCLSA-N 1 0 369.849 2.821 20 5 FFBDRO C[C@H](CNC(=S)NCC1CC[NH+](C)CC1)c1ccccc1[N+](=O)[O-] ZINC000899621402 735532900 /nfs/dbraw/zinc/53/29/00/735532900.db2.gz MNZRGVKHLRQLHH-CYBMUJFWSA-N 1 0 350.488 2.504 20 5 FFBDRO COCCC[N@H+](CCOC)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000123002951 728653981 /nfs/dbraw/zinc/65/39/81/728653981.db2.gz PMKRDAARBDZZAP-UHFFFAOYSA-N 1 0 361.236 2.842 20 5 FFBDRO CC(C)[C@H](CCN(C)Cn1cc([N+](=O)[O-])cn1)NC(=O)OC(C)(C)C ZINC000176152139 729110899 /nfs/dbraw/zinc/11/08/99/729110899.db2.gz WIFKAKNKTISWGU-AWEZNQCLSA-N 1 0 355.439 2.620 20 5 FFBDRO CO[C@@H]1C[N@H+](C)[C@@](C)(COC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)C1 ZINC000861340142 730600641 /nfs/dbraw/zinc/60/06/41/730600641.db2.gz FFZMUYULNXRSIX-HACGYAERSA-N 1 0 368.455 2.728 20 5 FFBDRO CO[C@H]1C[N@H+](C)[C@](C)(COC(=O)c2ccc(SC)c([N+](=O)[O-])c2)C1 ZINC000861340489 730601031 /nfs/dbraw/zinc/60/10/31/730601031.db2.gz HYSXHYBICRLLNI-WBMJQRKESA-N 1 0 354.428 2.583 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000925139038 738481116 /nfs/dbraw/zinc/48/11/16/738481116.db2.gz JDIPKXYXUQBFHD-ZFWWWQNUSA-N 1 0 350.444 2.605 20 5 FFBDRO C[C@H]1COCC[N@@H+]1C1CCN(C(=O)c2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000861786956 730641538 /nfs/dbraw/zinc/64/15/38/730641538.db2.gz WBAZALGNFUXAHC-LBPRGKRZSA-N 1 0 367.833 2.574 20 5 FFBDRO CCCC[N@H+](C)CCNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C ZINC000769899943 737581422 /nfs/dbraw/zinc/58/14/22/737581422.db2.gz NUIPRUCVNYTIQL-UHFFFAOYSA-N 1 0 363.867 2.567 20 5 FFBDRO CN1CC[NH+](C2CCN(c3cc(Cl)c(F)cc3[N+](=O)[O-])CC2)CC1 ZINC000866211896 731041238 /nfs/dbraw/zinc/04/12/38/731041238.db2.gz ABSOORLECAAGQY-UHFFFAOYSA-N 1 0 356.829 2.604 20 5 FFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000866299426 731047821 /nfs/dbraw/zinc/04/78/21/731047821.db2.gz KPHSWULHOGFURG-UGFHNGPFSA-N 1 0 358.435 2.610 20 5 FFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC(C)(C)[C@@]1(O)CCCOC1 ZINC000866391189 731054413 /nfs/dbraw/zinc/05/44/13/731054413.db2.gz CBQIAQZJNPGBPF-SCLBCKFNSA-N 1 0 354.422 2.822 20 5 FFBDRO CCS[C@@H]1CCC[C@@H](NC(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C1 ZINC000867949762 731244549 /nfs/dbraw/zinc/24/45/49/731244549.db2.gz IIVKOZFMQSLPQN-FRFSOERESA-N 1 0 351.472 2.949 20 5 FFBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1CCCCS1(=O)=O ZINC000872059660 731725173 /nfs/dbraw/zinc/72/51/73/731725173.db2.gz HCOAQSQBJOHHED-WCQYABFASA-N 1 0 358.485 2.935 20 5 FFBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC000872071870 731726929 /nfs/dbraw/zinc/72/69/29/731726929.db2.gz YZYPXAFFRXTVCF-NEPJUHHUSA-N 1 0 358.485 2.792 20 5 FFBDRO C[C@@H]([NH2+]C1CCC(CS(C)(=O)=O)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872075713 731727217 /nfs/dbraw/zinc/72/72/17/731727217.db2.gz UOVLAJFSPNKNNC-PNESKVBLSA-N 1 0 358.435 2.988 20 5 FFBDRO CC1(C)CC[NH2+]CCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000872298497 731749852 /nfs/dbraw/zinc/74/98/52/731749852.db2.gz MNDPGCHYVAXLNC-UHFFFAOYSA-N 1 0 356.220 2.571 20 5 FFBDRO O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000873315052 731900786 /nfs/dbraw/zinc/90/07/86/731900786.db2.gz ZXLYVIUNVNATQB-TZMCWYRMSA-N 1 0 369.219 2.763 20 5 FFBDRO COc1cc(F)c([N+](=O)[O-])c(N2C[C@@H](SC)[C@@H]([NH+]3CCCC3)C2)c1 ZINC000780583691 738558712 /nfs/dbraw/zinc/55/87/12/738558712.db2.gz USZXTFYECXSRSO-LSDHHAIUSA-N 1 0 355.435 2.759 20 5 FFBDRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000874838224 732106376 /nfs/dbraw/zinc/10/63/76/732106376.db2.gz OJLIFQPRFAEFHP-KGLIPLIRSA-N 1 0 368.231 2.666 20 5 FFBDRO C[C@@](O)(C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1cccs1 ZINC000877048845 732317420 /nfs/dbraw/zinc/31/74/20/732317420.db2.gz OWAUNSGAQXGFBD-QGZVFWFLSA-N 1 0 362.455 2.517 20 5 FFBDRO C[C@](O)(C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccsc1 ZINC000877052287 732317896 /nfs/dbraw/zinc/31/78/96/732317896.db2.gz VEXODPWAIFMWOB-KRWDZBQOSA-N 1 0 362.455 2.517 20 5 FFBDRO C[N@@H+]1CC[C@H]2CN(Cc3ccc(Br)c([N+](=O)[O-])c3)CC[C@H]21 ZINC000877742366 732422259 /nfs/dbraw/zinc/42/22/59/732422259.db2.gz DABYVQCXJPUQLD-GXTWGEPZSA-N 1 0 354.248 2.883 20 5 FFBDRO CN(CC[NH+]1CC2(C1)CCOCC2)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000877765642 732425795 /nfs/dbraw/zinc/42/57/95/732425795.db2.gz MOFFDQJDXXMZDR-UHFFFAOYSA-N 1 0 353.850 2.792 20 5 FFBDRO C[N@@H+]1CCN(Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CC1(C)C ZINC000878550974 732552966 /nfs/dbraw/zinc/55/29/66/732552966.db2.gz IRXNACLQOAADHC-UHFFFAOYSA-N 1 0 365.821 2.824 20 5 FFBDRO CC[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(CC(F)(F)F)C1 ZINC000878943486 732619028 /nfs/dbraw/zinc/61/90/28/732619028.db2.gz GTMAWIDEYVWBED-CABCVRRESA-N 1 0 361.364 2.587 20 5 FFBDRO C[C@@](CO)([NH2+]C[C@H](O)c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000879270717 732676424 /nfs/dbraw/zinc/67/64/24/732676424.db2.gz AGKKDPZQTSSDGE-IRXDYDNUSA-N 1 0 350.802 2.779 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000881473928 733059638 /nfs/dbraw/zinc/05/96/38/733059638.db2.gz CTBIXWZCWBXDDS-AWEZNQCLSA-N 1 0 367.833 2.621 20 5 FFBDRO O=[N+]([O-])c1ccc2nc(N3CCC[C@@H]([NH2+]C4CCOCC4)C3)sc2c1 ZINC000882726298 733280600 /nfs/dbraw/zinc/28/06/00/733280600.db2.gz PYQHACNGWKYDLH-CYBMUJFWSA-N 1 0 362.455 2.942 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](O)C(F)(F)C(F)(F)F ZINC000883366789 733374200 /nfs/dbraw/zinc/37/42/00/733374200.db2.gz ZZFIFFNMOYDZQU-LLVKDONJSA-N 1 0 358.263 2.642 20 5 FFBDRO COCc1cc([N+](=O)[O-])ccc1N1C[C@@H]([NH+]2CCCC2)[C@@H](SC)C1 ZINC000782381161 738716014 /nfs/dbraw/zinc/71/60/14/738716014.db2.gz SNNHAHDDCSFXES-SJORKVTESA-N 1 0 351.472 2.757 20 5 FFBDRO Cc1sc(-c2ccccc2[N+](=O)[O-])nc1-c1cn([C@H]2CC[NH2+]C2)nn1 ZINC000887486418 733935687 /nfs/dbraw/zinc/93/56/87/733935687.db2.gz OOEAESSAOZVNKP-NSHDSACASA-N 1 0 356.411 2.820 20 5 FFBDRO COC1CC[NH+](CCNC(=O)Nc2cc([N+](=O)[O-])c(Cl)cc2C)CC1 ZINC000888287201 734032244 /nfs/dbraw/zinc/03/22/44/734032244.db2.gz WDMQGGBJWWMVBK-UHFFFAOYSA-N 1 0 370.837 2.789 20 5 FFBDRO CCC[N@@H+]1CC[C@H](CNC(=O)Nc2ccc([N+](=O)[O-])c(OCC)c2)C1 ZINC000888834671 734103805 /nfs/dbraw/zinc/10/38/05/734103805.db2.gz NIAFELPEYCXJAV-CYBMUJFWSA-N 1 0 350.419 2.847 20 5 FFBDRO C[NH+](C)CCN(Cc1ccccn1)C(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000730435633 734637256 /nfs/dbraw/zinc/63/72/56/734637256.db2.gz HGNWCTXMFXAPFX-UHFFFAOYSA-N 1 0 359.455 2.750 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000894661705 734897655 /nfs/dbraw/zinc/89/76/55/734897655.db2.gz QHIBBSBOYCUMLL-GFCCVEGCSA-N 1 0 366.826 2.909 20 5 FFBDRO COc1c(O)ccc(C[N@@H+]2CC3(CCOCC3)[C@H]2C(C)C)c1[N+](=O)[O-] ZINC000894919508 734936744 /nfs/dbraw/zinc/93/67/44/734936744.db2.gz IQPAOBBOLCVZGB-QGZVFWFLSA-N 1 0 350.415 2.946 20 5 FFBDRO O=C1N(CC[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C[C@H]2CCCCN12 ZINC000895344195 734993700 /nfs/dbraw/zinc/99/37/00/734993700.db2.gz UZOFVLWMWZBXMC-CYBMUJFWSA-N 1 0 352.822 2.628 20 5 FFBDRO C[C@H](C[NH2+]Cc1cn(C)nc1Br)c1ccccc1[N+](=O)[O-] ZINC000897460187 735237025 /nfs/dbraw/zinc/23/70/25/735237025.db2.gz FOMCAZXXVUTYMC-SNVBAGLBSA-N 1 0 353.220 2.984 20 5 FFBDRO C[NH+]1CCC(ONC(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)CC1 ZINC000897675157 735262691 /nfs/dbraw/zinc/26/26/91/735262691.db2.gz SHKJELFPCFJCSP-UHFFFAOYSA-N 1 0 366.176 2.796 20 5 FFBDRO CC[NH+](CC)CCO[C@H]1CCN(C(=S)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000747657666 735579243 /nfs/dbraw/zinc/57/92/43/735579243.db2.gz CBIIORWHZAJABF-INIZCTEOSA-N 1 0 366.487 2.724 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC1CCC(S(C)(=O)=O)CC1 ZINC000903150257 736042098 /nfs/dbraw/zinc/04/20/98/736042098.db2.gz PDAIKGKWOQNWHJ-OPFPJEHXSA-N 1 0 370.471 2.857 20 5 FFBDRO COc1cc([C@@H](C)[NH2+]CC2(C3(O)CCOCC3)CC2)cc([N+](=O)[O-])c1 ZINC000903223717 736059007 /nfs/dbraw/zinc/05/90/07/736059007.db2.gz JTQPWRNLJSYBIM-CYBMUJFWSA-N 1 0 350.415 2.576 20 5 FFBDRO Cc1c(C[C@H](C[NH3+])CN(C)Cc2cc([N+](=O)[O-])ccc2Cl)cnn1C ZINC000903879364 736182847 /nfs/dbraw/zinc/18/28/47/736182847.db2.gz ZJACECBRTQWYMK-CYBMUJFWSA-N 1 0 365.865 2.540 20 5 FFBDRO Cc1c(C[C@@H](C[NH3+])CN(C)Cc2cc([N+](=O)[O-])ccc2Cl)cnn1C ZINC000903879365 736182909 /nfs/dbraw/zinc/18/29/09/736182909.db2.gz ZJACECBRTQWYMK-ZDUSSCGKSA-N 1 0 365.865 2.540 20 5 FFBDRO CCC(CC)(CC(=O)OC)[NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000755026228 736227788 /nfs/dbraw/zinc/22/77/88/736227788.db2.gz OJDCELQDIBFUMX-UHFFFAOYSA-N 1 0 371.821 2.898 20 5 FFBDRO O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CCC[C@@]12CC[NH2+]C2 ZINC000904412059 736249410 /nfs/dbraw/zinc/24/94/10/736249410.db2.gz OZNYJYGFEFTFIM-AWEZNQCLSA-N 1 0 358.320 2.973 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CC2C[C@H]3CC[C@@H](C2)S3)cc1 ZINC000905510397 736348789 /nfs/dbraw/zinc/34/87/89/736348789.db2.gz WIGVYFVJXCJMDZ-LQDVMPOASA-N 1 0 370.496 2.632 20 5 FFBDRO CC1(C)CC[C@H](CC[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)OC1 ZINC000905645294 736375081 /nfs/dbraw/zinc/37/50/81/736375081.db2.gz VTXXPLBSMNOOCN-OAHLLOKOSA-N 1 0 370.471 2.553 20 5 FFBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2cccc([N+](=O)[O-])c2Br)C[C@H]1C ZINC000758905888 736530998 /nfs/dbraw/zinc/53/09/98/736530998.db2.gz XSWFEOQEBHEQQW-MNOVXSKESA-N 1 0 370.247 2.912 20 5 FFBDRO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000761507848 736741427 /nfs/dbraw/zinc/74/14/27/736741427.db2.gz ZDAUBYQAZIHWLU-TZMCWYRMSA-N 1 0 369.849 2.611 20 5 FFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](O)COc2cccc(F)c2)cc1Cl ZINC000761523035 736742766 /nfs/dbraw/zinc/74/27/66/736742766.db2.gz PUCIKENGGOJQMO-CYBMUJFWSA-N 1 0 354.765 2.917 20 5 FFBDRO CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C[C@H]1[NH+]1CCCC1 ZINC000763283791 736923078 /nfs/dbraw/zinc/92/30/78/736923078.db2.gz RJCPVGVNBGVRAX-HUUCEWRRSA-N 1 0 369.874 2.900 20 5 FFBDRO CC[N@@H+]1CCC[C@@H]1CNC(=S)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000763309458 736926422 /nfs/dbraw/zinc/92/64/22/736926422.db2.gz XOAYBXLNYMUCKQ-QGZVFWFLSA-N 1 0 362.499 2.918 20 5 FFBDRO CC(C)C[N@@H+]1CCO[C@@H](COC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000763977328 736983616 /nfs/dbraw/zinc/98/36/16/736983616.db2.gz IANQIAVNAKHSMS-WMLDXEAASA-N 1 0 350.415 2.598 20 5 FFBDRO C[C@H]1CN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC[C@H]1[NH+]1CCN(C)CC1 ZINC000764477791 737022066 /nfs/dbraw/zinc/02/20/66/737022066.db2.gz FWZRXOOZGRTMPH-WMLDXEAASA-N 1 0 366.893 2.706 20 5 FFBDRO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000765203341 737095414 /nfs/dbraw/zinc/09/54/14/737095414.db2.gz CAYBWGUBQJUMGP-HNNXBMFYSA-N 1 0 353.369 2.820 20 5 FFBDRO CCC[C@@H]1CN(C(=S)Nc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1CCOC ZINC000766700065 737253714 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FRYFWVJNOPCVSN-CYBMUJFWSA-N 1 0 351.403 2.573 20 5 FFBDRO COC(=O)CC[N@H+](Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21)C(C)C ZINC000774634324 738007162 /nfs/dbraw/zinc/00/71/62/738007162.db2.gz DPGYYEPPBFMPOO-UHFFFAOYSA-N 1 0 354.794 2.829 20 5 FFBDRO Cc1cc(S(=O)(=O)NC2CCC(C)([NH+]3CCC3)CC2)c([N+](=O)[O-])s1 ZINC000921719168 738032187 /nfs/dbraw/zinc/03/21/87/738032187.db2.gz PRNUZTBJXXMFLL-UHFFFAOYSA-N 1 0 373.500 2.650 20 5 FFBDRO COC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000775816438 738128814 /nfs/dbraw/zinc/12/88/14/738128814.db2.gz UWMPAXNZBURDLE-GXTWGEPZSA-N 1 0 351.403 2.560 20 5 FFBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]C[C@@H]1CC[C@H](C(F)(F)F)O1)OCCO2 ZINC000922463482 738149601 /nfs/dbraw/zinc/14/96/01/738149601.db2.gz SAEKWJJXVWQKFP-IINYFYTJSA-N 1 0 362.304 2.566 20 5 FFBDRO COc1cc(C[NH2+]CC[C@@H]2CC[C@H](C(F)(F)F)O2)c([N+](=O)[O-])cc1O ZINC000922679359 738183641 /nfs/dbraw/zinc/18/36/41/738183641.db2.gz QGEDTSSBXIVPFD-IINYFYTJSA-N 1 0 364.320 2.899 20 5 FFBDRO COc1cc(C[NH2+]CCc2nc3c(s2)CCC3)c([N+](=O)[O-])cc1OC ZINC000922718041 738191111 /nfs/dbraw/zinc/19/11/11/738191111.db2.gz MLDKAYCNHXASSD-UHFFFAOYSA-N 1 0 363.439 2.890 20 5 FFBDRO CCOC(=O)CC[C@H]1CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776590749 738212292 /nfs/dbraw/zinc/21/22/92/738212292.db2.gz KGAMYCXIJCWFLW-RHSMWYFYSA-N 1 0 350.415 2.684 20 5 FFBDRO C[NH+](C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N)c1ccc(Cl)cc1 ZINC000787106942 739104617 /nfs/dbraw/zinc/10/46/17/739104617.db2.gz JBWIKHORMGEUKI-INIZCTEOSA-N 1 0 362.817 2.863 20 5 FFBDRO CCC[NH+]1CCC(N(C)C(=O)CCc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000930451166 739111146 /nfs/dbraw/zinc/11/11/46/739111146.db2.gz NIQDWRPKXMOMQP-UHFFFAOYSA-N 1 0 351.422 2.999 20 5 FFBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[C@H]([NH+](C)C)[C@H]1C ZINC000931047502 739203842 /nfs/dbraw/zinc/20/38/42/739203842.db2.gz ZXCXGWKFDMUCPH-HFAKWTLXSA-N 1 0 354.838 2.600 20 5 FFBDRO C[C@@]1([C@@H]2CCC[N@H+](Cc3cc([N+](=O)[O-])ccc3Cl)C2)COC(=O)N1 ZINC000932027455 739376806 /nfs/dbraw/zinc/37/68/06/739376806.db2.gz YYNMYTAULGCCFM-WBMJQRKESA-N 1 0 353.806 2.959 20 5 FFBDRO CC(C)C[N@@H+]1CCO[C@H](COC(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000791119951 739531202 /nfs/dbraw/zinc/53/12/02/739531202.db2.gz UMNSKZAYYSLEEG-HNNXBMFYSA-N 1 0 368.455 2.587 20 5 FFBDRO C[C@@H](CC[NH+](C)C)NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000791420817 739562064 /nfs/dbraw/zinc/56/20/64/739562064.db2.gz CHHZROLKNCRRIR-QMMMGPOBSA-N 1 0 370.258 2.520 20 5 FFBDRO CCOC(=O)C1(C[NH2+]Cc2cc(OC)c(O)cc2[N+](=O)[O-])CCCC1 ZINC000792195704 739649589 /nfs/dbraw/zinc/64/95/89/739649589.db2.gz DTROEDFCIYAIIE-UHFFFAOYSA-N 1 0 352.387 2.522 20 5 FFBDRO CCOC(=O)C1([C@@H](C)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)CCOCC1 ZINC000933881499 739700693 /nfs/dbraw/zinc/70/06/93/739700693.db2.gz SICGJWWKKWPHHS-CQSZACIVSA-N 1 0 350.415 2.741 20 5 FFBDRO Cn1cc([C@@H]2CSCCC[N@@H+]2CCOc2ccc([N+](=O)[O-])cc2)cn1 ZINC000933980294 739714672 /nfs/dbraw/zinc/71/46/72/739714672.db2.gz DUAZNKAZYXJXSF-KRWDZBQOSA-N 1 0 362.455 2.887 20 5 FFBDRO O=C1CCN(Cc2c(Br)cccc2[N+](=O)[O-])CCCCCN1 ZINC000934151734 739736402 /nfs/dbraw/zinc/73/64/02/739736402.db2.gz DEHQWXPDBVTAEP-UHFFFAOYSA-N 1 0 370.247 2.850 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=S)NC[C@H]1CCC[N@@H+]1CC ZINC000798374633 740326379 /nfs/dbraw/zinc/32/63/79/740326379.db2.gz WKMQDIBWWBGUNC-CYBMUJFWSA-N 1 0 352.460 2.764 20 5 FFBDRO Cc1c([N+](=O)[O-])cc(C(=O)OCCC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000800138674 740490564 /nfs/dbraw/zinc/49/05/64/740490564.db2.gz MHMXCBRRWOTWCO-UHFFFAOYSA-N 1 0 351.359 2.844 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2Cc3ccc(Cl)cc3C2)c1 ZINC000800399634 740519255 /nfs/dbraw/zinc/51/92/55/740519255.db2.gz DDDMPRSCWDIGIF-NVXWUHKLSA-N 1 0 362.813 2.745 20 5 FFBDRO CC[NH+](CC)CC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000803545536 740809630 /nfs/dbraw/zinc/80/96/30/740809630.db2.gz HFUOONAQHXXUFW-UHFFFAOYSA-N 1 0 370.247 2.584 20 5 FFBDRO CC[NH+]1CCN(CCNc2ccc(C)c(Br)c2[N+](=O)[O-])CC1 ZINC000804346712 740862589 /nfs/dbraw/zinc/86/25/89/740862589.db2.gz YLEIDQAKDRXYIU-UHFFFAOYSA-N 1 0 371.279 2.715 20 5 FFBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2cc3ccccc3s2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000983652233 741246502 /nfs/dbraw/zinc/24/65/02/741246502.db2.gz AEJXIQMCXMYETI-UIBBOPPKSA-N 1 0 359.451 2.551 20 5 FFBDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000809916385 741360561 /nfs/dbraw/zinc/36/05/61/741360561.db2.gz IOSYEIQHKOGWNX-GFCCVEGCSA-N 1 0 370.837 2.727 20 5 FFBDRO CC[NH+](CC)CCOCCNC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000809918449 741360993 /nfs/dbraw/zinc/36/09/93/741360993.db2.gz ZHYKRXGZGRPKBA-UHFFFAOYSA-N 1 0 358.826 2.728 20 5 FFBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]C[C@H]2CCC=CO2)c1 ZINC000810155056 741393232 /nfs/dbraw/zinc/39/32/32/741393232.db2.gz WKGAXUKZWJYPND-CYBMUJFWSA-N 1 0 374.178 2.982 20 5 FFBDRO CCC[N@H+](CC)C[C@@H](C)Nc1c([N+](=O)[O-])cc(CO)c(C)c1[N+](=O)[O-] ZINC000811866176 741569041 /nfs/dbraw/zinc/56/90/41/741569041.db2.gz DILZDRRYGUOTBE-LLVKDONJSA-N 1 0 354.407 2.836 20 5 FFBDRO C[NH+](C)CCn1ccc(NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])n1 ZINC000812953703 741664511 /nfs/dbraw/zinc/66/45/11/741664511.db2.gz JUTWDHZRILSLMV-UHFFFAOYSA-N 1 0 372.212 2.912 20 5 FFBDRO CSC1(CNC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])CC[NH+](C)CC1 ZINC000813281659 741699102 /nfs/dbraw/zinc/69/91/02/741699102.db2.gz HJNLKNBHTMFWJO-UHFFFAOYSA-N 1 0 355.435 2.600 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])c(N2CC[C@]3(C2)CCC[N@H+](C)C3)cc1Cl ZINC000814908938 741873942 /nfs/dbraw/zinc/87/39/42/741873942.db2.gz HQJPWHOJSCOHQO-QGZVFWFLSA-N 1 0 367.833 2.957 20 5 FFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H]2CCN(c3ncccc3Cl)C2)c1 ZINC000819155789 742345067 /nfs/dbraw/zinc/34/50/67/742345067.db2.gz XCBUQLRCLOUHJX-CJNGLKHVSA-N 1 0 362.817 2.545 20 5 FFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H]2CCOC3(CCSCC3)C2)c1 ZINC000819178953 742349015 /nfs/dbraw/zinc/34/90/15/742349015.db2.gz GOCKYNUKCXZWLC-ZBFHGGJFSA-N 1 0 352.456 2.663 20 5 FFBDRO CC1CCC2(CC1)OC[C@H](C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)O2 ZINC000819215294 742355191 /nfs/dbraw/zinc/35/51/91/742355191.db2.gz HASAIPZVWJBFPD-KHCOKFHASA-N 1 0 350.415 2.540 20 5 FFBDRO Cc1nc2c(s1)[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])CCC2 ZINC000819216677 742355746 /nfs/dbraw/zinc/35/57/46/742355746.db2.gz KNLOEIOPBFFSIW-QWHCGFSZSA-N 1 0 363.439 2.767 20 5 FFBDRO C[C@@]1(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1(Cl)Cl ZINC000819346971 742379364 /nfs/dbraw/zinc/37/93/64/742379364.db2.gz IULPEPZREMZGHJ-LBPRGKRZSA-N 1 0 367.254 2.542 20 5 FFBDRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N)C2 ZINC000821026026 742578661 /nfs/dbraw/zinc/57/86/61/742578661.db2.gz OUQNOOQKPJGNTC-INIZCTEOSA-N 1 0 370.812 2.527 20 5 FFBDRO O=C(N[C@H]1CC[C@H](C[NH2+]CC2CCCCCC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001050326144 743511732 /nfs/dbraw/zinc/51/17/32/743511732.db2.gz UGMMTFKFRXEPNL-BRSBDYLESA-N 1 0 351.491 2.887 20 5 FFBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(C(F)(F)F)ccc3[N+](=O)[O-])CC[C@H]21 ZINC000827247192 743541799 /nfs/dbraw/zinc/54/17/99/743541799.db2.gz VKLGSWYNABMJFB-ZWNOBZJWSA-N 1 0 357.332 2.780 20 5 FFBDRO C[N@@H+]1CC[C@H]2CN(C(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])CC[C@H]21 ZINC000827286687 743548733 /nfs/dbraw/zinc/54/87/33/743548733.db2.gz HXMGZOPXZXTHMY-WCQYABFASA-N 1 0 369.874 2.893 20 5 FFBDRO C[N@@H+]1CC[C@@H]2CN(c3c([N+](=O)[O-])cc(C(F)(F)F)cc3[N+](=O)[O-])C[C@@H]21 ZINC000828987396 745150717 /nfs/dbraw/zinc/15/07/17/745150717.db2.gz CLGRKZMBDQWTSR-PELKAZGASA-N 1 0 360.292 2.662 20 5 FFBDRO C[NH+]1CCC2(CC1)CN(C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)CCO2 ZINC000831068072 745475314 /nfs/dbraw/zinc/47/53/14/745475314.db2.gz LDRXFKHFOUOLDD-UHFFFAOYSA-N 1 0 368.821 2.577 20 5 FFBDRO CO[C@@H]1CCN([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C[C@@H]1C ZINC000831527986 745542678 /nfs/dbraw/zinc/54/26/78/745542678.db2.gz JVKGIQMLCZHQLY-FIXISWKDSA-N 1 0 355.822 2.932 20 5 FFBDRO CC(C)(C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1COCC12OCCO2 ZINC000839176943 746794545 /nfs/dbraw/zinc/79/45/45/746794545.db2.gz PWGSZGZFKXALFB-HNNXBMFYSA-N 1 0 370.833 2.754 20 5 FFBDRO O=C(NCCC1=CC[NH2+]CC1)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841161924 747284892 /nfs/dbraw/zinc/28/48/92/747284892.db2.gz QHXHMQJPMDAJTJ-UHFFFAOYSA-N 1 0 369.219 2.789 20 5 FFBDRO CCC[NH2+][C@@H](C)c1nc(Cc2cc(OC)cc(OC)c2[N+](=O)[O-])no1 ZINC000843226220 747794565 /nfs/dbraw/zinc/79/45/65/747794565.db2.gz WLGDXIMJNVBDPF-JTQLQIEISA-N 1 0 350.375 2.646 20 5 FFBDRO O=C(CN1CCC([C@@H]2CC[NH2+]C2)CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000843386325 747821539 /nfs/dbraw/zinc/82/15/39/747821539.db2.gz GSHUTJUGBYAFTA-CYBMUJFWSA-N 1 0 366.849 2.508 20 5 FFBDRO CCCN(C(=O)c1cccc([N+](=O)[O-])c1Br)[C@@H]1CC[N@H+](C)C1 ZINC000844146465 747978539 /nfs/dbraw/zinc/97/85/39/747978539.db2.gz OFFQXTBPNCCDEB-LLVKDONJSA-N 1 0 370.247 2.914 20 5 FFBDRO [NH3+]C[C@]12CCC[C@H]1CN(Cc1c(Br)cccc1[N+](=O)[O-])C2 ZINC000844901391 748131187 /nfs/dbraw/zinc/13/11/87/748131187.db2.gz DVPVQCCRDBZSDZ-NHYWBVRUSA-N 1 0 354.248 2.918 20 5 FFBDRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])c(Cl)c3)C2)C1 ZINC000846686367 748524245 /nfs/dbraw/zinc/52/42/45/748524245.db2.gz GOTQIGHEUCYPIY-WOSRLPQWSA-N 1 0 367.833 2.607 20 5 FFBDRO CC[C@@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@H]1CCCCO1 ZINC000847083527 748617383 /nfs/dbraw/zinc/61/73/83/748617383.db2.gz ZSWIYYUCTOMUNR-GDBMZVCRSA-N 1 0 353.394 3.000 20 5 FFBDRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 ZINC000848293612 748894929 /nfs/dbraw/zinc/89/49/29/748894929.db2.gz SWERAGRDLMVFPW-WAAGHKOSSA-N 1 0 374.210 2.566 20 5 FFBDRO CC(C)[NH+]1CCC(NC(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000848580485 748965741 /nfs/dbraw/zinc/96/57/41/748965741.db2.gz VJKCXJZYAVOJGN-UHFFFAOYSA-N 1 0 357.357 2.555 20 5 FFBDRO C[C@@H]1CCN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000850728846 749418133 /nfs/dbraw/zinc/41/81/33/749418133.db2.gz ABKJFZMRBGMNHD-KOLCDFICSA-N 1 0 371.235 2.948 20 5 FFBDRO C[C@H]1CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@@H]1CCO ZINC000852463427 749867436 /nfs/dbraw/zinc/86/74/36/749867436.db2.gz VXGXOPGPQGRJQD-BLLLJJGKSA-N 1 0 353.394 2.545 20 5 FFBDRO CC(C)[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)[C@@H](O)c1ccc(Cl)cc1 ZINC000852731291 749936971 /nfs/dbraw/zinc/93/69/71/749936971.db2.gz WOPSBTYBPOOEEL-CVEARBPZSA-N 1 0 352.822 2.793 20 5 FFBDRO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000854184433 750258066 /nfs/dbraw/zinc/25/80/66/750258066.db2.gz MPVQZKHBJOSLEC-ZDUSSCGKSA-N 1 0 368.821 2.623 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N2CCC3(C2)CC[NH+](C)CC3)c1F ZINC000854498345 750320096 /nfs/dbraw/zinc/32/00/96/750320096.db2.gz PGTJCRYRGBNSFR-UHFFFAOYSA-N 1 0 353.369 2.739 20 5 FFBDRO Cc1c(CO)cc([N+](=O)[O-])c(NCC[NH+](C(C)C)C(C)C)c1[N+](=O)[O-] ZINC000028623663 845049125 /nfs/dbraw/zinc/04/91/25/845049125.db2.gz KCVJUYVVRNNGOA-UHFFFAOYSA-N 1 0 354.407 2.834 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2noc(NC3CC[NH+](C[C@@H]4CCOC4)CC3)n2)cc1 ZINC000486954603 855706750 /nfs/dbraw/zinc/70/67/50/855706750.db2.gz COZMASLIIVOZGJ-ZDUSSCGKSA-N 1 0 373.413 2.558 20 5 FFBDRO COc1c(O)ccc(C[NH2+][C@H]2CCN(C)[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000893266634 971206273 /nfs/dbraw/zinc/20/62/73/971206273.db2.gz SDWBLSUVVNNLHX-DOTOQJQBSA-N 1 0 357.410 2.844 20 5 FFBDRO O=[N+]([O-])c1cc(I)ccc1O[C@@H]1CCC[NH2+]CC1 ZINC000709260421 971544192 /nfs/dbraw/zinc/54/41/92/971544192.db2.gz LWVSSAAQLZMFEU-SNVBAGLBSA-N 1 0 362.167 2.720 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@H]1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000896736036 971683701 /nfs/dbraw/zinc/68/37/01/971683701.db2.gz RHCCTQBCSPEDPM-KRWDZBQOSA-N 1 0 361.442 2.837 20 5 FFBDRO Cc1cc(N2CCC(CN3CCNC3=O)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000896855043 971891368 /nfs/dbraw/zinc/89/13/68/971891368.db2.gz QIQDPXAIQOMVEA-UHFFFAOYSA-N 1 0 369.425 2.693 20 5 FFBDRO O=C1CN([C@H]2CC[N@@H+](Cc3ccccc3[N+](=O)[O-])C2)c2ccccc2N1 ZINC000759910041 971948466 /nfs/dbraw/zinc/94/84/66/971948466.db2.gz LILCASXRRCPVRS-HNNXBMFYSA-N 1 0 352.394 2.628 20 5 FFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H](CO)c2cccc(C(F)(F)F)c2)c1 ZINC000872217092 1013182648 /nfs/dbraw/zinc/18/26/48/1013182648.db2.gz MZJYCYXBIJDIMO-CVEARBPZSA-N 1 0 370.327 2.970 20 5 FFBDRO CC1(c2ccc(C[NH2+]C[C@@H](O)c3ccc([N+](=O)[O-])cc3)cc2)OCCO1 ZINC000872220590 1013183984 /nfs/dbraw/zinc/18/39/84/1013183984.db2.gz PUDDZOYNSHPJDM-GOSISDBHSA-N 1 0 358.394 2.638 20 5 FFBDRO CCCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC[NH+](Cc2ccccc2C)CC1 ZINC001266386542 960196750 /nfs/dbraw/zinc/19/67/50/960196750.db2.gz JOXRONSQIBGSFU-RTBURBONSA-N 1 0 359.470 2.863 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N2Cc3ccccc3C3(CC[NH2+]CC3)C2)c1 ZINC001167160896 960335711 /nfs/dbraw/zinc/33/57/11/960335711.db2.gz KLDDAOVSIRDFFD-UHFFFAOYSA-N 1 0 374.828 2.523 20 5 FFBDRO O=[N+]([O-])c1cnc2ccc(F)cc2c1N1CCC(C[NH+]2CCOCC2)CC1 ZINC000891862886 965250029 /nfs/dbraw/zinc/25/00/29/965250029.db2.gz XVTUJEWWOVWIKF-UHFFFAOYSA-N 1 0 374.416 2.831 20 5 FFBDRO CC(C)[C@@H]1CCN1C(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000934041222 965541272 /nfs/dbraw/zinc/54/12/72/965541272.db2.gz VSZSBKDERYLJFA-INIZCTEOSA-N 1 0 361.446 2.609 20 5 FFBDRO O=C(CC[NH2+][C@@]1(c2ccccc2)C[C@@H](O)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC001175954751 1013605028 /nfs/dbraw/zinc/60/50/28/1013605028.db2.gz AUTSNVNBDKJIAS-GLRZTSSQSA-N 1 0 373.384 2.702 20 5 FFBDRO COC1CCC(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000892103153 965982294 /nfs/dbraw/zinc/98/22/94/965982294.db2.gz UWDCDBUZEMJFOQ-UHFFFAOYSA-N 1 0 361.442 2.558 20 5 FFBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000843770058 967186812 /nfs/dbraw/zinc/18/68/12/967186812.db2.gz QAWJZQLQFDMDSP-UHFFFAOYSA-N 1 0 372.400 2.832 20 5 FFBDRO CC(C)[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cc(F)ccc1Cl ZINC001267257595 967495416 /nfs/dbraw/zinc/49/54/16/967495416.db2.gz MZZXXJDJXCAUCW-GDBMZVCRSA-N 1 0 371.840 2.861 20 5 FFBDRO COc1cc(C[NH2+][C@@](C)(CO)Cc2ccccc2F)c([N+](=O)[O-])cc1F ZINC001176589225 1013726860 /nfs/dbraw/zinc/72/68/60/1013726860.db2.gz VOGJKBCEWLLFHP-GOSISDBHSA-N 1 0 366.364 2.965 20 5 FFBDRO CCC[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1c(C)cccc1Cl ZINC001267314924 967823074 /nfs/dbraw/zinc/82/30/74/967823074.db2.gz WBNKJIHFIJDHGU-CZUORRHYSA-N 1 0 353.850 2.642 20 5 FFBDRO O=[N+]([O-])c1cc(Br)cc(F)c1O[C@H]1C[NH2+]CCC[C@@H]1F ZINC001217980389 969258352 /nfs/dbraw/zinc/25/83/52/969258352.db2.gz KXULVCGDQSJZFX-KWQFWETISA-N 1 0 351.147 2.965 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)c2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])C[C@@H]1C ZINC000892642115 969676650 /nfs/dbraw/zinc/67/66/50/969676650.db2.gz MCCIZUKRRRHABF-UONOGXRCSA-N 1 0 358.442 2.756 20 5 FFBDRO C[C@H](CNC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21)c1ccccc1[N+](=O)[O-] ZINC000897062350 973213852 /nfs/dbraw/zinc/21/38/52/973213852.db2.gz SVASZGLMLKLIBZ-INMHGKMJSA-N 1 0 360.458 2.824 20 5 FFBDRO CC[C@@H](C(=O)[O-])[N@H+](C)CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001603498506 973457125 /nfs/dbraw/zinc/45/71/25/973457125.db2.gz JEGSCXDIOUUGIZ-SFHVURJKSA-N 1 0 363.458 2.644 20 5 FFBDRO C[N@H+](Cc1ccc(C(F)F)cc1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985426211 974054463 /nfs/dbraw/zinc/05/44/63/974054463.db2.gz NEMXRTAJKCUZIK-HZPDHXFCSA-N 1 0 367.396 2.712 20 5 FFBDRO Cc1ccc2ccccc2c1C[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000981136834 976263596 /nfs/dbraw/zinc/26/35/96/976263596.db2.gz IDPIXQXPQNJSTH-UYAOXDASSA-N 1 0 367.449 2.848 20 5 FFBDRO CCC1([NH+]2CCC2)CCN(C(=O)c2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC000899555179 977231821 /nfs/dbraw/zinc/23/18/21/977231821.db2.gz SZYKXMMSGUQKCN-UHFFFAOYSA-N 1 0 365.405 2.833 20 5 FFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]Cc3ccccc3Cn3cccn3)C2)c1 ZINC000876908425 1014417553 /nfs/dbraw/zinc/41/75/53/1014417553.db2.gz OBEAOQXQFYGOKQ-UHFFFAOYSA-N 1 0 352.398 2.529 20 5 FFBDRO O=C(N[C@@H]1CC[NH2+]C12CCC2)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000877001503 1014446737 /nfs/dbraw/zinc/44/67/37/1014446737.db2.gz CXCYGMMOGWGOLM-QGZVFWFLSA-N 1 0 358.442 2.600 20 5 FFBDRO CC[C@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)[C@H](O)c1c(F)cccc1F ZINC000877064115 1014465941 /nfs/dbraw/zinc/46/59/41/1014465941.db2.gz NEQDOGRBLMHQSI-JJIXEQETSA-N 1 0 366.368 2.875 20 5 FFBDRO COc1ccc([C@@H](OC)[C@@H](C)[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000877133532 1014483806 /nfs/dbraw/zinc/48/38/06/1014483806.db2.gz JXYRSTRFGYOLOH-UEPHZPRCSA-N 1 0 360.414 2.869 20 5 FFBDRO O=[N+]([O-])c1ccc(O[C@@H]2C[NH+]3CCC2CC3)cc1I ZINC001227991553 979082083 /nfs/dbraw/zinc/08/20/83/979082083.db2.gz GSLMQOYUOFZQAH-CYBMUJFWSA-N 1 0 374.178 2.672 20 5 FFBDRO CC(C)(C)OC(=O)NC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000697043443 979157057 /nfs/dbraw/zinc/15/70/57/979157057.db2.gz VGWHNYRGRGQRML-UHFFFAOYSA-N 1 0 365.430 2.758 20 5 FFBDRO C[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[C@@H](O)c1ccccc1 ZINC000877535173 1014616651 /nfs/dbraw/zinc/61/66/51/1014616651.db2.gz KBZRNPNODAFWQK-IFXJQAMLSA-N 1 0 356.426 2.670 20 5 FFBDRO O=C(CC[NH2+]C[C@H]1CCCN1CC(F)(F)F)Nc1ccccc1[N+](=O)[O-] ZINC000905567391 980466697 /nfs/dbraw/zinc/46/66/97/980466697.db2.gz ZGQNQCDVSVQREJ-GFCCVEGCSA-N 1 0 374.363 2.540 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]Cc3cnn(CC4CCC4)c3)CC2)cn1 ZINC000897430510 980744618 /nfs/dbraw/zinc/74/46/18/980744618.db2.gz VQPCNCPAWPMIDZ-UHFFFAOYSA-N 1 0 370.457 2.745 20 5 FFBDRO CC1(Nc2c3ccc(Br)cc3ncc2[N+](=O)[O-])CC[NH2+]CC1 ZINC001168185921 980782984 /nfs/dbraw/zinc/78/29/84/980782984.db2.gz PBIRJMMKFDOTBP-UHFFFAOYSA-N 1 0 365.231 2.881 20 5 FFBDRO CCCCCCNC(=O)[C@@H]1CCC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000878020660 1014816213 /nfs/dbraw/zinc/81/62/13/1014816213.db2.gz TZKWWCHBCUEXSN-MRXNPFEDSA-N 1 0 365.478 2.508 20 5 FFBDRO O=[N+]([O-])c1ccccc1-c1nnc(CN2CCC[C@@H]2C[NH+]2CCCC2)o1 ZINC000878036885 1014827573 /nfs/dbraw/zinc/82/75/73/1014827573.db2.gz RTLSOFVDYDCQCN-CQSZACIVSA-N 1 0 357.414 2.705 20 5 FFBDRO COC(=O)c1cc2n(n1)CCC[C@@H]2[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000897990882 982586324 /nfs/dbraw/zinc/58/63/24/982586324.db2.gz ZMQRKTCBFRQCOB-AWEZNQCLSA-N 1 0 358.398 2.819 20 5 FFBDRO C[N@@H+]1CC[C@H]2CN(C(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)CC[C@@H]21 ZINC000878351588 1014997685 /nfs/dbraw/zinc/99/76/85/1014997685.db2.gz SIZLKAVLBYDZKN-GWCFXTLKSA-N 1 0 370.356 2.754 20 5 FFBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000913082899 984178623 /nfs/dbraw/zinc/17/86/23/984178623.db2.gz ARMHKPANMVHBHN-TWGQIWQCSA-N 1 0 373.453 2.759 20 5 FFBDRO C[NH+](C)C1(C)CCN(C(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)CC1 ZINC000913386499 984254389 /nfs/dbraw/zinc/25/43/89/984254389.db2.gz FOVSEDIVNFQKLP-UHFFFAOYSA-N 1 0 356.426 2.887 20 5 FFBDRO C[NH+](C)C[C@@H]1CN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)c2ccccc2O1 ZINC000760820532 984531005 /nfs/dbraw/zinc/53/10/05/984531005.db2.gz FGKKVDAUPCRMFM-QJWNTBNXSA-N 1 0 367.405 2.964 20 5 FFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCN1CCc2ccccc21 ZINC000765414926 985077879 /nfs/dbraw/zinc/07/78/79/985077879.db2.gz CIEUZMZGRUTWIO-OAHLLOKOSA-N 1 0 368.437 2.964 20 5 FFBDRO COc1nc(SC)nc(N2C[C@H](CC[NH3+])c3ccccc32)c1[N+](=O)[O-] ZINC001168546928 985222146 /nfs/dbraw/zinc/22/21/46/985222146.db2.gz ZHWSQOQFPJWIIQ-JTQLQIEISA-N 1 0 361.427 2.699 20 5 FFBDRO CCOc1cc(N2CCN(CC(OCC)OCC)CC2)ccc1[N+](=O)[O-] ZINC000796467825 1015124579 /nfs/dbraw/zinc/12/45/79/1015124579.db2.gz XZGSWMIBIWIRRT-UHFFFAOYSA-N 1 0 367.446 2.515 20 5 FFBDRO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC[N@H+](Cc2ccccc2)C1 ZINC000323971232 986388974 /nfs/dbraw/zinc/38/89/74/986388974.db2.gz CBLAKALVQIYVEF-OAHLLOKOSA-N 1 0 368.437 2.771 20 5 FFBDRO C[C@@H]1CN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC[N@H+](Cc2ccccc2)C1 ZINC000324062827 986608410 /nfs/dbraw/zinc/60/84/10/986608410.db2.gz WQPVFDSIHIBCIK-HNNXBMFYSA-N 1 0 368.437 2.771 20 5 FFBDRO CCC(C)(C)[NH+]1CCN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000878846309 1015249274 /nfs/dbraw/zinc/24/92/74/1015249274.db2.gz TYALKDGDGXVMTN-UHFFFAOYSA-N 1 0 359.430 2.951 20 5 FFBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccc1 ZINC000913684377 986823088 /nfs/dbraw/zinc/82/30/88/986823088.db2.gz RYGYSEGZVDVAKL-ROUUACIJSA-N 1 0 351.406 2.623 20 5 FFBDRO CC(C)N(CC[N@H+](C)Cc1ccc(F)c(Cl)c1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001486367717 987276010 /nfs/dbraw/zinc/27/60/10/987276010.db2.gz CHWVGYFTABMYDZ-CZUORRHYSA-N 1 0 371.840 2.813 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC001212496817 987775651 /nfs/dbraw/zinc/77/56/51/987775651.db2.gz FLSJWXFCASMFPT-HNNXBMFYSA-N 1 0 369.487 2.610 20 5 FFBDRO COc1cc(CC[NH2+]C[C@H](O)c2ccccc2F)c([N+](=O)[O-])cc1OC ZINC000914580285 987799141 /nfs/dbraw/zinc/79/91/41/987799141.db2.gz JFTBSVLVEPZDLF-INIZCTEOSA-N 1 0 364.373 2.617 20 5 FFBDRO C[NH+](C)CCn1ccc2ccc(NC(=O)c3ccc(N)c([N+](=O)[O-])c3)cc21 ZINC000153341334 987893105 /nfs/dbraw/zinc/89/31/05/987893105.db2.gz XDEUOSLJYKXYJL-UHFFFAOYSA-N 1 0 367.409 2.946 20 5 FFBDRO CCC(CC)[C@H](CNc1ccc([N+](=O)[O-])c2nonc21)[NH+]1CCOCC1 ZINC000914862414 987999936 /nfs/dbraw/zinc/99/99/36/987999936.db2.gz GDKWABBWBRUETG-HNNXBMFYSA-N 1 0 363.418 2.680 20 5 FFBDRO C[C@@H]1CC2(CCC2)C[N@@H+]1CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000762145598 988144790 /nfs/dbraw/zinc/14/47/90/988144790.db2.gz WEZHBWAPYGZWID-CYBMUJFWSA-N 1 0 358.398 2.585 20 5 FFBDRO CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](C[NH2+]Cc3ccc([N+](=O)[O-])cc3F)[C@@H]2C1 ZINC000922787169 988906198 /nfs/dbraw/zinc/90/61/98/988906198.db2.gz DKWLGYJHYIAFDI-QKDCVEJESA-N 1 0 365.405 2.936 20 5 FFBDRO O=[N+]([O-])c1cnn(C[N@H+](CCCOc2ccccc2)C2CCOCC2)c1 ZINC000766032201 989279083 /nfs/dbraw/zinc/27/90/83/989279083.db2.gz SIBBORNHQVFERR-UHFFFAOYSA-N 1 0 360.414 2.699 20 5 FFBDRO COc1cccc(C[NH+]2CCC(NC(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000918351671 990377493 /nfs/dbraw/zinc/37/74/93/990377493.db2.gz KILGTTFKZCGLGG-UHFFFAOYSA-N 1 0 369.421 2.998 20 5 FFBDRO CC(C)C[N@@H+]1CCO[C@@H](COC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000919521048 990663694 /nfs/dbraw/zinc/66/36/94/990663694.db2.gz ALWMKMCSKJZBRO-CQSZACIVSA-N 1 0 361.398 2.590 20 5 FFBDRO C[NH+](C)[C@H](CNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)C1CCCCC1 ZINC000920459811 990851649 /nfs/dbraw/zinc/85/16/49/990851649.db2.gz FUWHBBWRRKEXPI-GOSISDBHSA-N 1 0 373.457 2.571 20 5 FFBDRO Cc1cc(C)cc([C@@H](O)C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000072665352 993255398 /nfs/dbraw/zinc/25/53/98/993255398.db2.gz VCKYFGMYZQNWQK-WMZOPIPTSA-N 1 0 356.426 2.826 20 5 FFBDRO Cc1c(CO)cc([N+](=O)[O-])c(NCC[N@@H+](C)C2CCCCC2)c1[N+](=O)[O-] ZINC000811769108 995237938 /nfs/dbraw/zinc/23/79/38/995237938.db2.gz QOUCQLFWIOUQJH-UHFFFAOYSA-N 1 0 366.418 2.980 20 5 FFBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC001133014940 995256393 /nfs/dbraw/zinc/25/63/93/995256393.db2.gz PTILXJQQPVWTFJ-MRXNPFEDSA-N 1 0 369.421 2.998 20 5 FFBDRO COCCN(CC[NH+](C)C)C(=O)Nc1cc([N+](=O)[O-])ccc1C(C)(C)C ZINC000880706907 1015951125 /nfs/dbraw/zinc/95/11/25/1015951125.db2.gz XDGDNVLEPMOQNW-UHFFFAOYSA-N 1 0 366.462 2.934 20 5 FFBDRO CC[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@H](C)[C@@H](O)c1ccccc1 ZINC000812853529 995555860 /nfs/dbraw/zinc/55/58/60/995555860.db2.gz RMXSKMQXOFANBL-MOXGXCLJSA-N 1 0 374.437 2.779 20 5 FFBDRO CC[NH+](CC)CC(C)(C)COC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000813151277 995627844 /nfs/dbraw/zinc/62/78/44/995627844.db2.gz DGROSGDERSGKTD-UHFFFAOYSA-N 1 0 362.430 2.856 20 5 FFBDRO CC[NH+](CC)CCOC(=O)c1cccc(NC(=O)c2cc([N+](=O)[O-])c[nH]2)c1 ZINC000803659594 1016034862 /nfs/dbraw/zinc/03/48/62/1016034862.db2.gz UFPNOUQMUGFMKV-UHFFFAOYSA-N 1 0 374.397 2.674 20 5 FFBDRO CC[NH+](CC)[C@H](CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000824235499 996830874 /nfs/dbraw/zinc/83/08/74/996830874.db2.gz BJPJZUQIIDDVMW-MOPGFXCFSA-N 1 0 371.437 2.828 20 5 FFBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000825124333 997221938 /nfs/dbraw/zinc/22/19/38/997221938.db2.gz NQWZFYFMVFLMPV-DAYGRLMNSA-N 1 0 363.458 2.503 20 5 FFBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)CC1 ZINC000825188750 997265448 /nfs/dbraw/zinc/26/54/48/997265448.db2.gz NVDQIBKZOQFJTI-LSDHHAIUSA-N 1 0 360.458 2.688 20 5 FFBDRO Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)OCC[NH+]2CCCCC2)c1 ZINC000845287283 998467325 /nfs/dbraw/zinc/46/73/25/998467325.db2.gz WQIJMQJBRFGIKQ-UHFFFAOYSA-N 1 0 372.425 2.791 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000803855722 1016243619 /nfs/dbraw/zinc/24/36/19/1016243619.db2.gz KCOIRJAAAWLCOO-AWEZNQCLSA-N 1 0 363.414 2.649 20 5 FFBDRO C[C@H](OC(=O)CC[C@H]1CCCC[N@@H+]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000803855288 1016245987 /nfs/dbraw/zinc/24/59/87/1016245987.db2.gz FIFZPROCHFYMEO-DZGCQCFKSA-N 1 0 363.414 2.730 20 5 FFBDRO C[C@H](C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000741015317 999702445 /nfs/dbraw/zinc/70/24/45/999702445.db2.gz ADSASBOKVPBLPS-FRRDWIJNSA-N 1 0 364.398 2.766 20 5 FFBDRO COc1ccc([C@@H]2[C@H](COC(=O)c3cc([N+](=O)[O-])cn3C)CC[N@@H+]2C)cc1 ZINC000741120632 999709546 /nfs/dbraw/zinc/70/95/46/999709546.db2.gz JFJQTYCFIOZLFU-KBXCAEBGSA-N 1 0 373.409 2.792 20 5 FFBDRO CC(C)C1CCN(CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000742169641 999760827 /nfs/dbraw/zinc/76/08/27/999760827.db2.gz UUUWLCNVNMTUEK-UHFFFAOYSA-N 1 0 360.414 2.689 20 5 FFBDRO O=[N+]([O-])c1cn(CN2CCC[N@@H+](C3CCCC3)CC2)nc1-c1ccncc1 ZINC000742151918 999761847 /nfs/dbraw/zinc/76/18/47/999761847.db2.gz BGNOFBBWESFEPD-UHFFFAOYSA-N 1 0 370.457 2.761 20 5 FFBDRO CC(C)(C)c1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cc1 ZINC001086363163 999870164 /nfs/dbraw/zinc/87/01/64/999870164.db2.gz FPFMFHBGXIVTRN-VDHUWJSZSA-N 1 0 359.470 2.634 20 5 FFBDRO [NH3+][C@@H]1CCN(C(F)(F)c2cc(-c3ccc([N+](=O)[O-])cc3)nnc2Cl)C1 ZINC001156232679 1000005103 /nfs/dbraw/zinc/00/51/03/1000005103.db2.gz ZPMJAUZJBWMLMT-SNVBAGLBSA-N 1 0 369.759 2.788 20 5 FFBDRO CC(C)(C)OC(=O)N1CCC2(C[C@@H]2[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168961717 1000013016 /nfs/dbraw/zinc/01/30/16/1000013016.db2.gz JZTWOWCBERFFJN-ILXRZTDVSA-N 1 0 353.463 2.811 20 5 FFBDRO CC(C)(C)OC(=O)N1CCC2(CC([NH2+][C@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)C1 ZINC001168964965 1000013294 /nfs/dbraw/zinc/01/32/94/1000013294.db2.gz WVSDHPYWXUBJAY-CZSZNVFWSA-N 1 0 353.463 2.811 20 5 FFBDRO O=C(c1cccc(F)c1)N1CCC(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168992909 1000013947 /nfs/dbraw/zinc/01/39/47/1000013947.db2.gz LIVJJEWTMVAJAQ-QAPCUYQASA-N 1 0 363.433 2.713 20 5 FFBDRO C[C@@H]1CC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001169006445 1000015033 /nfs/dbraw/zinc/01/50/33/1000015033.db2.gz IHVGHETWZLSZTQ-KLHDSHLOSA-N 1 0 355.479 2.915 20 5 FFBDRO O=C1N(c2cccc(F)c2)CC12CC[NH+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169029674 1000016227 /nfs/dbraw/zinc/01/62/27/1000016227.db2.gz VAJQMRHOJRKUFF-HOCLYGCPSA-N 1 0 361.417 2.700 20 5 FFBDRO O=C1C[C@]2(CC[N@@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)CN1c1cccc(F)c1 ZINC001169018878 1000017161 /nfs/dbraw/zinc/01/71/61/1000017161.db2.gz CWPGKPOHYMLZIA-OGWOLHLISA-N 1 0 361.417 2.700 20 5 FFBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCC3(CCOC[C@@H]3COCC3CC3)CC2)C1 ZINC001169018694 1000017279 /nfs/dbraw/zinc/01/72/79/1000017279.db2.gz BXGRXPNXYHWQIA-QRVBRYPASA-N 1 0 366.502 2.977 20 5 FFBDRO Cc1cccc(CN2CC[C@]3(CC[N@@H+]([C@@H]4CC[C@H](C[N+](=O)[O-])C4)C3)C2=O)c1 ZINC001169020617 1000017444 /nfs/dbraw/zinc/01/74/44/1000017444.db2.gz JOJPMQHSHLIOGU-QKNQBKEWSA-N 1 0 371.481 2.865 20 5 FFBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCC3(C[C@H](Oc4cccnc4)CO3)CC2)C1 ZINC001169019327 1000017593 /nfs/dbraw/zinc/01/75/93/1000017593.db2.gz HUWVIUDJBVDIRV-RYRKJORJSA-N 1 0 361.442 2.529 20 5 FFBDRO O=C1NC2(C[C@H]1c1ccccc1)CC[NH+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169022944 1000017892 /nfs/dbraw/zinc/01/78/92/1000017892.db2.gz NRSDERPGEAOMQP-NXHRZFHOSA-N 1 0 357.454 2.570 20 5 FFBDRO CCOCc1nn(CC2CC2)c2c1C[N@@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169024574 1000018097 /nfs/dbraw/zinc/01/80/97/1000018097.db2.gz XFCKRTPOOVYIKZ-JKSUJKDBSA-N 1 0 362.474 2.633 20 5 FFBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCC[C@@]3(C[C@H](Oc4ccccn4)CO3)C2)C1 ZINC001169026969 1000018313 /nfs/dbraw/zinc/01/83/13/1000018313.db2.gz ZKMNCYJJLSMMCP-VUHPKUFZSA-N 1 0 361.442 2.529 20 5 FFBDRO CCOC(=O)c1cccc([N+](=O)[O-])c1N1CCCc2ccc(C[NH3+])nc21 ZINC001169592409 1000060202 /nfs/dbraw/zinc/06/02/02/1000060202.db2.gz RFRWHSCXRDXKBI-UHFFFAOYSA-N 1 0 356.382 2.710 20 5 FFBDRO [NH3+]CCc1cn(-c2ccc(-c3cccc([N+](=O)[O-])c3)nn2)c2cccnc12 ZINC001169706998 1000071244 /nfs/dbraw/zinc/07/12/44/1000071244.db2.gz ZAXFNIUHJCMXDC-UHFFFAOYSA-N 1 0 360.377 2.892 20 5 FFBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NCCC2CC[NH2+]CC2)CC1 ZINC000846698742 1000413596 /nfs/dbraw/zinc/41/35/96/1000413596.db2.gz CLXMROCVKJTGDF-UHFFFAOYSA-N 1 0 374.485 2.951 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH+]2CCC(CO)(Cc3ccccc3)CC2)cc1 ZINC000769992642 1000649713 /nfs/dbraw/zinc/64/97/13/1000649713.db2.gz XIORXUAGUNTZLG-FQEVSTJZSA-N 1 0 370.449 2.945 20 5 FFBDRO CC(C)[N@H+](C[C@H](O)COc1ccccc1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000770044650 1000663408 /nfs/dbraw/zinc/66/34/08/1000663408.db2.gz RHXJSRSMLDLSKA-AZUAARDMSA-N 1 0 374.437 2.779 20 5 FFBDRO COc1cc(C)c([N+](=O)[O-])cc1NCc1ccccc1N1CC[NH2+]CC1 ZINC001171286589 1000764971 /nfs/dbraw/zinc/76/49/71/1000764971.db2.gz XXTMZAQMQBJTHP-UHFFFAOYSA-N 1 0 356.426 2.934 20 5 FFBDRO COc1nc(SC)nc(-n2c(CC[NH3+])cc3ccccc32)c1[N+](=O)[O-] ZINC001171301986 1000857877 /nfs/dbraw/zinc/85/78/77/1000857877.db2.gz UFOQXYNMFNEGRY-UHFFFAOYSA-N 1 0 359.411 2.560 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC001147493644 1000905145 /nfs/dbraw/zinc/90/51/45/1000905145.db2.gz FHABEAJJXGEPBL-DOMZBBRYSA-N 1 0 353.850 2.979 20 5 FFBDRO C[C@@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CCO1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788506603 1001814272 /nfs/dbraw/zinc/81/42/72/1001814272.db2.gz WSWKFJXZKPQYKG-QAPCUYQASA-N 1 0 370.453 2.729 20 5 FFBDRO COCC[N@H+](Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CC[C@H](C)C1 ZINC000790481343 1002389607 /nfs/dbraw/zinc/38/96/07/1002389607.db2.gz XLQFWMLJUBXTEO-HOCLYGCPSA-N 1 0 359.430 2.948 20 5 FFBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000791208349 1002617636 /nfs/dbraw/zinc/61/76/36/1002617636.db2.gz HIPICOKYZPVVDL-QWHCGFSZSA-N 1 0 366.437 2.650 20 5 FFBDRO CC(C)[C@H](CNc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-])[NH+]1CCCC1 ZINC001184738845 1002710772 /nfs/dbraw/zinc/71/07/72/1002710772.db2.gz CHODRPDTXOMGLC-INIZCTEOSA-N 1 0 358.442 2.979 20 5 FFBDRO COc1ccc(C[C@H](C)[NH2+]Cc2nnc3cc(C)ccn32)c([N+](=O)[O-])c1 ZINC001170299742 1003092042 /nfs/dbraw/zinc/09/20/42/1003092042.db2.gz VZZUOLKXOMBBEZ-ZDUSSCGKSA-N 1 0 355.398 2.675 20 5 FFBDRO COc1ccc([C@@H](CO)[NH2+][C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC001170304737 1003093510 /nfs/dbraw/zinc/09/35/10/1003093510.db2.gz GJWVOEWLESVBGQ-FZKQIMNGSA-N 1 0 360.410 2.866 20 5 FFBDRO COC(=O)[C@@H]1CCC[C@@H]([NH2+][C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170310461 1003102808 /nfs/dbraw/zinc/10/28/08/1003102808.db2.gz WMDOEHOAVLYUDD-NWANDNLSSA-N 1 0 350.415 2.856 20 5 FFBDRO COc1ccc(C[C@H](C)[NH2+][C@H]2CCCN(c3cnccn3)C2)c([N+](=O)[O-])c1 ZINC001170324693 1003113189 /nfs/dbraw/zinc/11/31/89/1003113189.db2.gz SHHHIXUTLDWEDM-HOCLYGCPSA-N 1 0 371.441 2.583 20 5 FFBDRO COc1ccc(C[C@@H](C)[NH2+]C[C@H]2C(=O)Nc3ccccc32)c([N+](=O)[O-])c1 ZINC001170326339 1003113489 /nfs/dbraw/zinc/11/34/89/1003113489.db2.gz HMHGVHAUYNFEOW-MLGOLLRUSA-N 1 0 355.394 2.860 20 5 FFBDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170329871 1003115778 /nfs/dbraw/zinc/11/57/78/1003115778.db2.gz WGVXCQDYXHLOQT-CFVMTHIKSA-N 1 0 350.415 2.856 20 5 FFBDRO COc1ccc(C[C@H](C)[N@@H+]2CC3CC2(C(=O)N2CCCC2)C3)c([N+](=O)[O-])c1 ZINC001170338474 1003128300 /nfs/dbraw/zinc/12/83/00/1003128300.db2.gz BIVTYXOTNTVSFF-BQTBQCLESA-N 1 0 373.453 2.621 20 5 FFBDRO CCOC(=O)[C@@H]1CCC[N@@H+]([C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170345816 1003131444 /nfs/dbraw/zinc/13/14/44/1003131444.db2.gz MBWXYLOHGZJFMV-UKRRQHHQSA-N 1 0 350.415 2.810 20 5 FFBDRO COc1ccc(C[C@H](C)n2ccc([C@@H]3CCC[NH2+]3)nc2=N)c([N+](=O)[O-])c1 ZINC001170344409 1003131600 /nfs/dbraw/zinc/13/16/00/1003131600.db2.gz BUKPLUALIFCLBW-WFASDCNBSA-N 1 0 357.414 2.508 20 5 FFBDRO CCc1cc(N[C@@H]2CCC[C@H]2[NH+](C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001187024656 1003519475 /nfs/dbraw/zinc/51/94/75/1003519475.db2.gz GXKPBPNTKNDNMM-IAGOWNOFSA-N 1 0 355.442 2.931 20 5 FFBDRO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000804812900 1003859862 /nfs/dbraw/zinc/85/98/62/1003859862.db2.gz MKQZDQKRGJVWIW-GXTWGEPZSA-N 1 0 365.405 2.974 20 5 FFBDRO Cc1ccc(C[NH2+]C[C@H]2CC[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c(C)c1 ZINC001050325673 1016967870 /nfs/dbraw/zinc/96/78/70/1016967870.db2.gz KIMILXIZBRVXAK-NXWXRZEISA-N 1 0 359.470 2.733 20 5 FFBDRO CO[C@@H]1CC[C@H]([N@@H+]2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)C1 ZINC000851935797 1005924285 /nfs/dbraw/zinc/92/42/85/1005924285.db2.gz SNPUZCUKLCVTRN-DZGCQCFKSA-N 1 0 359.430 2.551 20 5 FFBDRO COC(=O)[C@@H]1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H]2CCCC[C@@H]12 ZINC000852497652 1006055259 /nfs/dbraw/zinc/05/52/59/1006055259.db2.gz XHRRMYZCUHZKEY-MLHJIOFPSA-N 1 0 362.426 2.682 20 5 FFBDRO CCc1ccc(C(=O)N2CCN(c3cc[nH+]cc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC001133954619 1006058956 /nfs/dbraw/zinc/05/89/56/1006058956.db2.gz HEHWUNARPPPPTD-AWEZNQCLSA-N 1 0 354.410 2.903 20 5 FFBDRO C[C@H]1CN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CCN1c1cc[nH+]cc1 ZINC000881636135 1006166468 /nfs/dbraw/zinc/16/64/68/1006166468.db2.gz PLSFJHCYTLYNGT-ZDUSSCGKSA-N 1 0 365.393 2.822 20 5 FFBDRO C[NH+](C)CC[C@H](NC(=O)CCNc1ccccc1[N+](=O)[O-])c1cccnc1 ZINC001134125060 1006182559 /nfs/dbraw/zinc/18/25/59/1006182559.db2.gz PJJZZWJABFIBJW-INIZCTEOSA-N 1 0 371.441 2.601 20 5 FFBDRO Cc1ccccc1CCC[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 ZINC001050520501 1017037826 /nfs/dbraw/zinc/03/78/26/1017037826.db2.gz QMQJPDPQRFPIPI-RTBURBONSA-N 1 0 371.481 2.517 20 5 FFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCC[NH2+]C[C@H](O)c1ccccn1 ZINC000853096667 1006295505 /nfs/dbraw/zinc/29/55/05/1006295505.db2.gz JMDLBHXUXGTVEZ-HNNXBMFYSA-N 1 0 370.331 2.744 20 5 FFBDRO COc1ccccc1[C@H](O)C[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000853239915 1006345799 /nfs/dbraw/zinc/34/57/99/1006345799.db2.gz KESAKOMYYSTOQA-CXAGYDPISA-N 1 0 373.409 2.644 20 5 FFBDRO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000747958774 1006353523 /nfs/dbraw/zinc/35/35/23/1006353523.db2.gz DCUPAQWZJPIDEX-ZIAGYGMSSA-N 1 0 367.450 2.559 20 5 FFBDRO CO[C@]1(C)C[C@H](N(C)Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)C1(C)C ZINC000853499102 1006415271 /nfs/dbraw/zinc/41/52/71/1006415271.db2.gz IRNCLZAGVWWQEH-MAUKXSAKSA-N 1 0 359.430 2.946 20 5 FFBDRO O=[N+]([O-])c1cn(C[N@@H+]2CC[C@@H](C3CCOCC3)C2)nc1-c1ccccn1 ZINC000853505256 1006419615 /nfs/dbraw/zinc/41/96/15/1006419615.db2.gz UBXHSWNEROHJGU-OAHLLOKOSA-N 1 0 357.414 2.559 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000853746404 1006523346 /nfs/dbraw/zinc/52/33/46/1006523346.db2.gz IIFXUBRIPRECCJ-JTQLQIEISA-N 1 0 366.374 2.574 20 5 FFBDRO NC(=O)c1ccccc1N1CC[C@@H]([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000776699688 1006597212 /nfs/dbraw/zinc/59/72/12/1006597212.db2.gz IJFYWBNDHYWKOK-CQSZACIVSA-N 1 0 374.828 2.716 20 5 FFBDRO NC(=O)c1ccccc1N1CC[C@H]([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000776699686 1006597549 /nfs/dbraw/zinc/59/75/49/1006597549.db2.gz IJFYWBNDHYWKOK-AWEZNQCLSA-N 1 0 374.828 2.716 20 5 FFBDRO COc1cc(Cc2noc(-c3cc4c(s3)CC[NH2+]C4)n2)ccc1[N+](=O)[O-] ZINC000854142795 1006704467 /nfs/dbraw/zinc/70/44/67/1006704467.db2.gz ZFPQWOAVHJXHCH-UHFFFAOYSA-N 1 0 372.406 2.951 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1CNCc1ccc(N2CCNC2=O)cc1 ZINC000883281868 1006729318 /nfs/dbraw/zinc/72/93/18/1006729318.db2.gz AYQRUGVZBBFGDN-UHFFFAOYSA-N 1 0 370.409 2.813 20 5 FFBDRO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000816547284 1007105950 /nfs/dbraw/zinc/10/59/50/1007105950.db2.gz QRTLDCXLOYDVMW-ZDUSSCGKSA-N 1 0 365.430 2.819 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1 ZINC000855161195 1007141761 /nfs/dbraw/zinc/14/17/61/1007141761.db2.gz MTOSTBSWMXMXQX-LBPRGKRZSA-N 1 0 355.385 2.923 20 5 FFBDRO Cc1c(C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000855290061 1007249542 /nfs/dbraw/zinc/24/95/42/1007249542.db2.gz YINBQNKWJKUEPA-GFCCVEGCSA-N 1 0 364.402 2.722 20 5 FFBDRO C[C@H](CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)[NH+](C)C ZINC000855415663 1007330699 /nfs/dbraw/zinc/33/06/99/1007330699.db2.gz LNQXFIYGFMOSIM-MRVPVSSYSA-N 1 0 362.199 2.566 20 5 FFBDRO C[C@@H]1COCC[N@@H+]1C1CCN(c2ncc([N+](=O)[O-])c3ccccc32)CC1 ZINC000884547143 1007476199 /nfs/dbraw/zinc/47/61/99/1007476199.db2.gz CKVUGMRJYZTEAQ-CQSZACIVSA-N 1 0 356.426 2.833 20 5 FFBDRO CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000776827576 1007531108 /nfs/dbraw/zinc/53/11/08/1007531108.db2.gz UKWQCAWXXXQTAG-CABCVRRESA-N 1 0 365.430 2.820 20 5 FFBDRO Cn1ccnc1[C@@H](NCc1ccc(CC[NH3+])cc1)c1ccc([N+](=O)[O-])cc1 ZINC000817950645 1007822223 /nfs/dbraw/zinc/82/22/23/1007822223.db2.gz ZEXQZFGQPJGJCK-IBGZPJMESA-N 1 0 365.437 2.709 20 5 FFBDRO Cn1ccnc1[C@H](NCc1ccc(CC[NH3+])cc1)c1ccc([N+](=O)[O-])cc1 ZINC000817950646 1007822539 /nfs/dbraw/zinc/82/25/39/1007822539.db2.gz ZEXQZFGQPJGJCK-LJQANCHMSA-N 1 0 365.437 2.709 20 5 FFBDRO O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000818017416 1007840527 /nfs/dbraw/zinc/84/05/27/1007840527.db2.gz HERIOWMYKDEJKK-IBGZPJMESA-N 1 0 358.442 2.553 20 5 FFBDRO [NH3+]CCC[C@H](NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000818006155 1007850424 /nfs/dbraw/zinc/85/04/24/1007850424.db2.gz YJPIHVDCSFKASJ-KRWDZBQOSA-N 1 0 367.409 2.541 20 5 FFBDRO Cc1cc(C)n(-c2ccc(C[NH2+]C[C@H](O)c3ccc([N+](=O)[O-])cc3)cn2)n1 ZINC000818964442 1007979965 /nfs/dbraw/zinc/97/99/65/1007979965.db2.gz WEKCZYBXCSVTBC-SFHVURJKSA-N 1 0 367.409 2.616 20 5 FFBDRO Cc1ccc(OC[C@@H](C)[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000818982829 1007999381 /nfs/dbraw/zinc/99/93/81/1007999381.db2.gz SUORTACNMAWVJK-CVEARBPZSA-N 1 0 360.410 2.700 20 5 FFBDRO COc1ccc(OC)c(CCC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000819190645 1008061663 /nfs/dbraw/zinc/06/16/63/1008061663.db2.gz KWYZONXUEPHKOP-GOSISDBHSA-N 1 0 360.410 2.868 20 5 FFBDRO O=C1[C@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCCN1C1CCCCC1 ZINC000819254861 1008071733 /nfs/dbraw/zinc/07/17/33/1008071733.db2.gz TZMRERJTJRIEJX-QZTJIDSGSA-N 1 0 361.442 2.542 20 5 FFBDRO Cc1cc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc(N2CCCC2)n1 ZINC000819322076 1008112592 /nfs/dbraw/zinc/11/25/92/1008112592.db2.gz OHMZUJYYWVNANM-GOSISDBHSA-N 1 0 356.426 2.722 20 5 FFBDRO Cc1cc(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)c(N)c([N+](=O)[O-])c1 ZINC000115716033 1008238779 /nfs/dbraw/zinc/23/87/79/1008238779.db2.gz RODFHURNZIDAJR-UHFFFAOYSA-N 1 0 360.389 2.616 20 5 FFBDRO Nc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCSCC2)cc1[N+](=O)[O-] ZINC000819916182 1008249663 /nfs/dbraw/zinc/24/96/63/1008249663.db2.gz ITGNGVLVVDRRPX-QGZVFWFLSA-N 1 0 372.450 2.906 20 5 FFBDRO COc1cc(CC[NH2+]C[C@H](O)c2ccc(F)cc2)c([N+](=O)[O-])cc1OC ZINC000819975522 1008257634 /nfs/dbraw/zinc/25/76/34/1008257634.db2.gz QYGDTNUSOAUUFH-INIZCTEOSA-N 1 0 364.373 2.617 20 5 FFBDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cc([N+](=O)[O-])cc3ccccc32)C1 ZINC000858177994 1008318420 /nfs/dbraw/zinc/31/84/20/1008318420.db2.gz JGXUNECFEXWKLX-QGZVFWFLSA-N 1 0 371.437 2.835 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000820673872 1008359514 /nfs/dbraw/zinc/35/95/14/1008359514.db2.gz MOSFXFRDPPSMBT-GASCZTMLSA-N 1 0 363.458 2.831 20 5 FFBDRO CCOC(=O)C1=CC[C@@H]([NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000858504602 1008371112 /nfs/dbraw/zinc/37/11/12/1008371112.db2.gz UWWLLPKHRFGNQS-IUODEOHRSA-N 1 0 361.398 2.553 20 5 FFBDRO CCOc1cc(N2CC[NH+](C[C@@H]3C[C@]34CCOC4)CC2)ccc1[N+](=O)[O-] ZINC000886181384 1008599557 /nfs/dbraw/zinc/59/95/57/1008599557.db2.gz KNPQAJGWPZSXOH-KXBFYZLASA-N 1 0 361.442 2.542 20 5 FFBDRO COc1cc(F)cc(OC)c1C[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC001177683784 1008704258 /nfs/dbraw/zinc/70/42/58/1008704258.db2.gz VCXLLABOGFDOCM-UHFFFAOYSA-N 1 0 350.346 2.920 20 5 FFBDRO O=C(COc1cccc([N+](=O)[O-])c1)O[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000117093304 1008759059 /nfs/dbraw/zinc/75/90/59/1008759059.db2.gz BPWLBXLIQUDPOD-GOSISDBHSA-N 1 0 356.378 2.791 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCC([N@H+]2CCOC[C@H]2C)CC1 ZINC000823057591 1008886089 /nfs/dbraw/zinc/88/60/89/1008886089.db2.gz VHOLOOGLBKJUGY-CQSZACIVSA-N 1 0 361.442 2.537 20 5 FFBDRO Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@](O)(c2ccnn2C)C3)cc1[N+](=O)[O-] ZINC000887053810 1009002067 /nfs/dbraw/zinc/00/20/67/1009002067.db2.gz DCCJQDRRLNKPBT-MNZLEMJZSA-N 1 0 356.426 2.651 20 5 FFBDRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000887133176 1009045462 /nfs/dbraw/zinc/04/54/62/1009045462.db2.gz VSBZVKRCZHIHCI-CYBMUJFWSA-N 1 0 353.382 2.842 20 5 FFBDRO O=C(O[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1 ZINC000860739198 1009132949 /nfs/dbraw/zinc/13/29/49/1009132949.db2.gz ILPHLSAGRXAOBF-JSGCOSHPSA-N 1 0 374.372 2.703 20 5 FFBDRO C[C@H](COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccncc1)[N+](=O)[O-] ZINC000860777045 1009148451 /nfs/dbraw/zinc/14/84/51/1009148451.db2.gz JTXZMJZLOGHGSA-AYOQOUSVSA-N 1 0 369.421 2.506 20 5 FFBDRO C[NH+](C)CCc1ccc(CNC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000823955539 1009278131 /nfs/dbraw/zinc/27/81/31/1009278131.db2.gz HLNJBJWVMKXPLQ-UHFFFAOYSA-N 1 0 357.414 2.603 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)[NH2+]C/C=C\c2ccc(F)c(F)c2)cc1 ZINC001179524819 1009351430 /nfs/dbraw/zinc/35/14/30/1009351430.db2.gz ASCYDLXJGWHOHM-FKAFAWJWSA-N 1 0 364.348 2.570 20 5 FFBDRO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])NC[C@@H]1C[NH+]2CCC1CC2 ZINC001179899441 1009480332 /nfs/dbraw/zinc/48/03/32/1009480332.db2.gz DQIJRMDFMGDZCE-CYBMUJFWSA-N 1 0 351.834 2.639 20 5 FFBDRO [NH3+]C[C@@H]1COc2ccccc2N1c1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC001171394667 1009739185 /nfs/dbraw/zinc/73/91/85/1009739185.db2.gz SJODYLBJARYUOH-SNVBAGLBSA-N 1 0 354.288 2.866 20 5 FFBDRO C[C@H](CCN1C(=O)N[C@@](C)(c2cccc([N+](=O)[O-])c2)C1=O)[NH+]1CCCCC1 ZINC000863506993 1010231582 /nfs/dbraw/zinc/23/15/82/1010231582.db2.gz MCIUMLYEYBBBLB-KUHUBIRLSA-N 1 0 374.441 2.626 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCc2cccc3c2OC(F)(F)O3)cc1 ZINC000863570417 1010257623 /nfs/dbraw/zinc/25/76/23/1010257623.db2.gz GQIJJHAIJYLMOK-CQSZACIVSA-N 1 0 366.320 2.782 20 5 FFBDRO Cc1ccc(NC(=O)[C@@H](c2ccccc2)N(C)C[C@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000863567595 1010258146 /nfs/dbraw/zinc/25/81/46/1010258146.db2.gz FVBPHQZTSXEPMM-KBXCAEBGSA-N 1 0 356.426 2.862 20 5 FFBDRO CC(=O)N(C)c1ccc(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000863574103 1010259441 /nfs/dbraw/zinc/25/94/41/1010259441.db2.gz WRDULNXCJBVVJS-UHFFFAOYSA-N 1 0 370.409 2.696 20 5 FFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]Cc2ccc(-n3ccnc3)nc2)n1 ZINC000774113976 1010477717 /nfs/dbraw/zinc/47/77/17/1010477717.db2.gz FBTQXLPDSQDUTA-HOTGVXAUSA-N 1 0 367.413 2.646 20 5 FFBDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@@H](C)Cc3ccc(F)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000866360685 1010983458 /nfs/dbraw/zinc/98/34/58/1010983458.db2.gz XZOANCFEALBIKK-HZCDGDGTSA-N 1 0 363.433 2.902 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ncn(C[N@@H+]3CCC[C@H](C[C@@H]4CCOC4)C3)n2)cc1 ZINC000773267714 1011006111 /nfs/dbraw/zinc/00/61/11/1011006111.db2.gz VFCMKUPLRCLRQM-CVEARBPZSA-N 1 0 371.441 2.949 20 5 FFBDRO O=C(Cc1cccc(F)c1[N+](=O)[O-])NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000867914688 1011118857 /nfs/dbraw/zinc/11/88/57/1011118857.db2.gz OUOKCXODBRQJCC-MRXNPFEDSA-N 1 0 371.412 2.915 20 5 FFBDRO C[C@]([NH3+])(C(=O)N[C@@H]1C[C@H]1c1c(F)cccc1F)c1cccc([N+](=O)[O-])c1 ZINC000867980241 1011137428 /nfs/dbraw/zinc/13/74/28/1011137428.db2.gz UALMVAASHQJYQB-CDHAZOANSA-N 1 0 361.348 2.719 20 5 FFBDRO CN1CCc2c(NC(C)(C)CC(=O)N3CCCC3)ccc([N+](=O)[O-])c2C1 ZINC001171493594 1011343932 /nfs/dbraw/zinc/34/39/32/1011343932.db2.gz IUSDSBOBPIFJBX-UHFFFAOYSA-N 1 0 360.458 2.786 20 5 FFBDRO CC1CC[NH+](CC[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])cc2N)CC1 ZINC001171617002 1011403889 /nfs/dbraw/zinc/40/38/89/1011403889.db2.gz ZFQAEYPXQINHFC-OAHLLOKOSA-N 1 0 360.458 2.904 20 5 FFBDRO Cc1nnc2ccc(C[NH2+][C@H]3CCc4ccc([N+](=O)[O-])cc4CC3)cn12 ZINC001172907997 1012081668 /nfs/dbraw/zinc/08/16/68/1012081668.db2.gz VXIMUOBGJOFXOY-KRWDZBQOSA-N 1 0 351.410 2.983 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH+]1CC(N3CCC(F)(F)C3)C1)CC2 ZINC001172915123 1012099081 /nfs/dbraw/zinc/09/90/81/1012099081.db2.gz LLTQMKIDCYSMBT-OAHLLOKOSA-N 1 0 351.397 2.867 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H](N1CCO[C@H](C[NH+]3CCCC3)C1)CC2 ZINC001172912211 1012124997 /nfs/dbraw/zinc/12/49/97/1012124997.db2.gz JTVBXYPWAGEEIE-AZUAARDMSA-N 1 0 359.470 2.639 20 5 FFBDRO Cc1cnc(C[NH2+]C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)nc1 ZINC001173006140 1012173314 /nfs/dbraw/zinc/17/33/14/1012173314.db2.gz NRIHVNAFTGVHPX-UHFFFAOYSA-N 1 0 363.368 2.730 20 5 FFBDRO CC(C)C[C@H](CO)[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173006228 1012174883 /nfs/dbraw/zinc/17/48/83/1012174883.db2.gz PTRZMMKGSRVOBN-CYBMUJFWSA-N 1 0 357.401 2.838 20 5 FFBDRO COC(=O)CCCC[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173009058 1012177277 /nfs/dbraw/zinc/17/72/77/1012177277.db2.gz PZCCCNBKGKFAHJ-UHFFFAOYSA-N 1 0 371.384 2.775 20 5 FFBDRO C[C@H]1CC[C@@H](CO)C[N@@H+]1C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173009339 1012178581 /nfs/dbraw/zinc/17/85/81/1012178581.db2.gz BHHSUEARBCVSLM-QWHCGFSZSA-N 1 0 369.412 2.935 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(N2CCC(n3ncc4c3CC[NH2+]C4)CC2)c(F)c1 ZINC001173009826 1012179304 /nfs/dbraw/zinc/17/93/04/1012179304.db2.gz HZKRWJLKJSVYBZ-UHFFFAOYSA-N 1 0 363.368 2.557 20 5 FFBDRO Cc1cc(C[NH2+]C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)n(C)n1 ZINC001173011830 1012181733 /nfs/dbraw/zinc/18/17/33/1012181733.db2.gz LDXNZNJNRMMZMJ-UHFFFAOYSA-N 1 0 365.384 2.674 20 5 FFBDRO C[C@@H]1C[N@@H+](C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)[C@H](C)CO1 ZINC001173013509 1012183546 /nfs/dbraw/zinc/18/35/46/1012183546.db2.gz AIDKCMQEXQWAPW-VXGBXAGGSA-N 1 0 355.385 2.951 20 5 FFBDRO CO[C@H]1CCC[N@@H+](C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)C1 ZINC001173014578 1012184340 /nfs/dbraw/zinc/18/43/40/1012184340.db2.gz SRMJRQDDWYOSQK-AWEZNQCLSA-N 1 0 355.385 2.953 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH+]3CCC(CO)CC3)CC2)c(F)c1 ZINC001173013984 1012184651 /nfs/dbraw/zinc/18/46/51/1012184651.db2.gz MVPRIZBFOCFAKP-UHFFFAOYSA-N 1 0 355.385 2.546 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(N2CCC([N@@H+]3CCC[C@H](CCO)C3)CC2)c(F)c1 ZINC001173014756 1012184705 /nfs/dbraw/zinc/18/47/05/1012184705.db2.gz AJHCZPMAVNHGSB-CYBMUJFWSA-N 1 0 369.412 2.936 20 5 FFBDRO C[N@H+](CCC1OCCO1)C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173015237 1012187473 /nfs/dbraw/zinc/18/74/73/1012187473.db2.gz NEBOJGRCZOLJLE-UHFFFAOYSA-N 1 0 371.384 2.537 20 5 FFBDRO CO[C@H](C)C1C[NH+](C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)C1 ZINC001173020022 1012192028 /nfs/dbraw/zinc/19/20/28/1012192028.db2.gz OVNCQHYQIQVXTK-LLVKDONJSA-N 1 0 355.385 2.809 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@@H]2c3ccccc3C[C@@H]2O)c1F ZINC001173176814 1012319993 /nfs/dbraw/zinc/31/99/93/1012319993.db2.gz LZHLLUVTYMVWDD-XNPNBVRTSA-N 1 0 360.385 2.921 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]Cc2cnc(Cl)cn2)c1F ZINC001173179534 1012321174 /nfs/dbraw/zinc/32/11/74/1012321174.db2.gz LVYTWDDDEMAWBN-SECBINFHSA-N 1 0 354.769 2.907 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)n2c(C[NH3+])nc3cnccc32)c1F ZINC001173179557 1012321560 /nfs/dbraw/zinc/32/15/60/1012321560.db2.gz MMTDQGVETJCTHI-SNVBAGLBSA-N 1 0 359.361 2.750 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@@H]2CCCC3(C2)OCCO3)c1F ZINC001173178580 1012322186 /nfs/dbraw/zinc/32/21/86/1012322186.db2.gz CKXGNFOYBHWGFV-CHWSQXEVSA-N 1 0 368.405 2.949 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@H]2CCN(C3CCC3)C2)c1F ZINC001173183416 1012326233 /nfs/dbraw/zinc/32/62/33/1012326233.db2.gz ZNFCTKMECCCAPR-OLZOCXBDSA-N 1 0 351.422 2.890 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+](C)CCc2noc(C)n2)c1F ZINC001173182844 1012326703 /nfs/dbraw/zinc/32/67/03/1012326703.db2.gz UVAZKFURORKQCR-SNVBAGLBSA-N 1 0 352.366 2.539 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CC(=O)Nc2ccccc2)c1F ZINC001173189647 1012332361 /nfs/dbraw/zinc/33/23/61/1012332361.db2.gz PGZJSAJBLQONJA-GFCCVEGCSA-N 1 0 361.373 2.902 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@H](C(=O)NC(C)C)C(C)C)c1F ZINC001173190844 1012332935 /nfs/dbraw/zinc/33/29/35/1012332935.db2.gz HYFCSLLNMBFOBF-PXAZEXFGSA-N 1 0 369.437 2.812 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@H]2C(=O)NCc3ccccc32)c1F ZINC001173193182 1012333972 /nfs/dbraw/zinc/33/39/72/1012333972.db2.gz SWRZVPKVIRULDP-BBATYDOGSA-N 1 0 373.384 2.634 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+](C)[C@H]2CCC3(C2)OCCO3)c1F ZINC001173193634 1012335220 /nfs/dbraw/zinc/33/52/20/1012335220.db2.gz UUKXOQOHLAZBSF-STQMWFEESA-N 1 0 368.405 2.901 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CCC[C@H]3C[N@H+](C)C[C@H]32)c1F ZINC001173195428 1012337714 /nfs/dbraw/zinc/33/77/14/1012337714.db2.gz FXVJPGYCSGUWHB-HEHGZKQESA-N 1 0 351.422 2.700 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2CCC[C@@H](n3cncn3)C2)c1F ZINC001173197301 1012340005 /nfs/dbraw/zinc/34/00/05/1012340005.db2.gz SNYUXSOBIQAYQX-CHWSQXEVSA-N 1 0 363.393 2.602 20 5 FFBDRO COC(=O)C[C@H]1CCC[N@@H+]([C@@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C1 ZINC001173198021 1012340493 /nfs/dbraw/zinc/34/04/93/1012340493.db2.gz XLHNYBCZBGNHFY-QWHCGFSZSA-N 1 0 368.405 2.949 20 5 FFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1CN(c2ncnc3ccccc32)C1 ZINC001173223682 1012355781 /nfs/dbraw/zinc/35/57/81/1012355781.db2.gz KVGSANGGDVEZHQ-AWEZNQCLSA-N 1 0 363.421 2.947 20 5 FFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](NC(=O)N2CCCC2)C1 ZINC001173238496 1012386808 /nfs/dbraw/zinc/38/68/08/1012386808.db2.gz TXPAJMXWWWPRSH-NVXWUHKLSA-N 1 0 360.458 2.796 20 5 FFBDRO C[NH+](C)C1(C)CCC(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC1 ZINC000871362165 1012884013 /nfs/dbraw/zinc/88/40/13/1012884013.db2.gz YLCPDMDRMMACBS-UHFFFAOYSA-N 1 0 371.441 2.773 20 5 FFBDRO C[C@H]([NH2+]C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)C1CCC1 ZINC001173694182 1012902332 /nfs/dbraw/zinc/90/23/32/1012902332.db2.gz BLYKZSVUUIENOM-ZDUSSCGKSA-N 1 0 367.471 2.526 20 5 FFBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC([NH2+]C2CCCCC2)CC1 ZINC001173691386 1012902492 /nfs/dbraw/zinc/90/24/92/1012902492.db2.gz JTJVNYLFRZUHQL-UHFFFAOYSA-N 1 0 367.471 2.670 20 5 FFBDRO CCC(CC)[NH2+]C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001173689694 1012902854 /nfs/dbraw/zinc/90/28/54/1012902854.db2.gz HSSVNACAJDCMIJ-UHFFFAOYSA-N 1 0 355.460 2.526 20 5 FFBDRO Cn1ccnc1[C@H]([NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2)c1ccc([N+](=O)[O-])cc1 ZINC000926934346 1018298896 /nfs/dbraw/zinc/29/88/96/1018298896.db2.gz FTLWJCQMRYAJQE-CIRFHOKZSA-N 1 0 354.410 2.598 20 5 FFBDRO CC(C)[NH+]1CCN(CCCC(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000901329901 1018970692 /nfs/dbraw/zinc/97/06/92/1018970692.db2.gz NNQWYEMNSHQRIY-MRXNPFEDSA-N 1 0 362.474 2.578 20 5 FFBDRO O=[N+]([O-])c1cc(-c2cc(C[N@H+]3CCC[C@H]3CO)on2)ccc1N1CCCC1 ZINC000901398616 1019043640 /nfs/dbraw/zinc/04/36/40/1019043640.db2.gz WSKUKYGJMIFTLM-HNNXBMFYSA-N 1 0 372.425 2.807 20 5 FFBDRO C[C@H](C(=O)N[C@H](CC[NH+](C)C)c1cccnc1)c1cccc([N+](=O)[O-])c1 ZINC000928830740 1019144859 /nfs/dbraw/zinc/14/48/59/1019144859.db2.gz JZGFQQLBHRULQX-KBXCAEBGSA-N 1 0 356.426 2.903 20 5 FFBDRO C[C@@H](C(=O)N[C@@H](CC[NH+](C)C)c1cccnc1)c1cccc([N+](=O)[O-])c1 ZINC000928830742 1019144953 /nfs/dbraw/zinc/14/49/53/1019144953.db2.gz JZGFQQLBHRULQX-KDOFPFPSSA-N 1 0 356.426 2.903 20 5 FFBDRO Cn1nccc1C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000802008044 1019615910 /nfs/dbraw/zinc/61/59/10/1019615910.db2.gz VMXPBXKDRDYSFI-SOXMVSPVSA-N 1 0 356.426 2.772 20 5 FFBDRO CN(C)c1ccc(-c2nnc(C[C@H]([NH3+])Cc3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC001217716993 1032848969 /nfs/dbraw/zinc/84/89/69/1032848969.db2.gz RQTHHTSNYNCLJA-OAHLLOKOSA-N 1 0 367.409 2.823 20 5 FFBDRO CCn1nc(C)c([N+](=O)[O-])c1Nc1cccc2c1CC[N@H+](CC(C)(C)O)C2 ZINC000480116757 1019908802 /nfs/dbraw/zinc/90/88/02/1019908802.db2.gz KOFJVBSEBLNUII-UHFFFAOYSA-N 1 0 373.457 2.992 20 5 FFBDRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C/C=C/c1ccccc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001048525093 1020275163 /nfs/dbraw/zinc/27/51/63/1020275163.db2.gz KRXNECZUUGADBP-ZTCKFTSBSA-N 1 0 369.465 2.724 20 5 FFBDRO COc1cc([C@H](C)[NH2+]CCNC(=O)c2ccccc2F)cc([N+](=O)[O-])c1 ZINC000903075368 1020665223 /nfs/dbraw/zinc/66/52/23/1020665223.db2.gz URVNSCXQLQNXFP-LBPRGKRZSA-N 1 0 361.373 2.823 20 5 FFBDRO COc1cc(Br)c(O[C@H]2C[NH2+]CCC[C@H]2F)c([N+](=O)[O-])c1 ZINC001217971413 1032924640 /nfs/dbraw/zinc/92/46/40/1032924640.db2.gz HSEFOMXVEIPVQD-PWSUYJOCSA-N 1 0 363.183 2.835 20 5 FFBDRO Cn1ccc([C@H]2CCC[N@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)n1 ZINC000932140145 1020720963 /nfs/dbraw/zinc/72/09/63/1020720963.db2.gz WMJFJQLUBDBIFL-ZDUSSCGKSA-N 1 0 358.398 2.574 20 5 FFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC1(O)CCC2(CC1)OCCO2 ZINC000903374900 1020812154 /nfs/dbraw/zinc/81/21/54/1020812154.db2.gz OUDWWOHMFHMUCQ-HNNXBMFYSA-N 1 0 364.442 2.554 20 5 FFBDRO C[NH+](C)CC[C@H](N[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)c1cccnc1 ZINC000903381664 1020815722 /nfs/dbraw/zinc/81/57/22/1020815722.db2.gz YJILUSYDGYZVSW-RCCFBDPRSA-N 1 0 372.473 2.953 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(O[C@@H]2C[NH2+]CCC[C@@H]2F)c(Br)c1 ZINC001217982134 1032933351 /nfs/dbraw/zinc/93/33/51/1032933351.db2.gz SCGATEFRVJAHOF-GXSJLCMTSA-N 1 0 351.147 2.965 20 5 FFBDRO CCCC[N@H+](C)CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC)CC1 ZINC000749271623 1020911435 /nfs/dbraw/zinc/91/14/35/1020911435.db2.gz JGBQFVKJIQNZMJ-UHFFFAOYSA-N 1 0 362.474 2.903 20 5 FFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C2CCN(CCc3ccccc3)CC2)c1 ZINC000749675146 1021018687 /nfs/dbraw/zinc/01/86/87/1021018687.db2.gz XMMIQRTVESFAEI-NRFANRHFSA-N 1 0 369.465 2.925 20 5 FFBDRO C[NH+](C)CCN(Cc1ccco1)C(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000934490975 1021258958 /nfs/dbraw/zinc/25/89/58/1021258958.db2.gz BZBYNJCDAGWOJW-MSOLQXFVSA-N 1 0 357.410 2.882 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2Cc3ncccc3N3CCC[C@H]3C2)c1 ZINC000934491441 1021259571 /nfs/dbraw/zinc/25/95/71/1021259571.db2.gz SPHGXZQDLHFUNK-QFBILLFUSA-N 1 0 354.410 2.508 20 5 FFBDRO Cc1noc2nc(O[C@H]3Cc4ccc([N+](=O)[O-])cc4C3)c3c(c12)CC[NH2+]C3 ZINC001218044959 1032969727 /nfs/dbraw/zinc/96/97/27/1032969727.db2.gz GHWWMUCFLFNEKC-AWEZNQCLSA-N 1 0 366.377 2.631 20 5 FFBDRO CN(C(=O)C[N@@H+]1CCCC[C@H]([C@@H]2CCOC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000934844352 1021426587 /nfs/dbraw/zinc/42/65/87/1021426587.db2.gz YZIPSESVWNNVGW-JKSUJKDBSA-N 1 0 361.442 2.696 20 5 FFBDRO Cc1cc(Br)cc([N+](=O)[O-])c1O[C@@H]1CSC2(C[NH2+]C2)C1 ZINC001218100179 1032994080 /nfs/dbraw/zinc/99/40/80/1032994080.db2.gz LSSCOTFUIRRPAU-JTQLQIEISA-N 1 0 359.245 2.892 20 5 FFBDRO Cc1cc(O[C@H]2CSC3(C[NH2+]C3)C2)c([N+](=O)[O-])cc1Br ZINC001218103261 1032995316 /nfs/dbraw/zinc/99/53/16/1032995316.db2.gz PLCGGNNEPFJUEV-SECBINFHSA-N 1 0 359.245 2.892 20 5 FFBDRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000155303085 1022237673 /nfs/dbraw/zinc/23/76/73/1022237673.db2.gz RZDGXBIDJORIOP-ADYSOMBNSA-N 1 0 353.422 2.897 20 5 FFBDRO C[NH+](C)CCONC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC001118702669 1022359432 /nfs/dbraw/zinc/35/94/32/1022359432.db2.gz FWDCEABPOVRWGZ-UHFFFAOYSA-N 1 0 353.444 2.853 20 5 FFBDRO CC1(C)CC(C[N@H+](CC2CC2)C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)C1 ZINC001039486026 1022763235 /nfs/dbraw/zinc/76/32/35/1022763235.db2.gz YCGYSXAOPWJZQC-QZTJIDSGSA-N 1 0 363.502 2.791 20 5 FFBDRO CO[C@@]1(C)C[C@@H]([N@H+](C)Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C1(C)C ZINC000751935430 1022982486 /nfs/dbraw/zinc/98/24/86/1022982486.db2.gz VXNLYOZSQXXCAF-QAPCUYQASA-N 1 0 359.430 2.946 20 5 FFBDRO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)N1CC[NH2+]CCC12CCC2 ZINC001122208234 1023115090 /nfs/dbraw/zinc/11/50/90/1023115090.db2.gz QKUUOGMGBKGTBO-UHFFFAOYSA-N 1 0 351.834 2.925 20 5 FFBDRO C/C(=C\C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000752424335 1023140306 /nfs/dbraw/zinc/14/03/06/1023140306.db2.gz KFRPQGADWYNVAG-STTHAQSSSA-N 1 0 373.453 2.615 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N3CCC[C@]34CC[NH2+]C4)cc2[N+](=O)[O-])CC1 ZINC001122327167 1023191462 /nfs/dbraw/zinc/19/14/62/1023191462.db2.gz GLGCABOPNLLHPY-HXUWFJFHSA-N 1 0 372.469 2.799 20 5 FFBDRO COC(=O)c1cc(Br)c(O[C@@H]2CC[C@H](C)[NH2+]C2)c([N+](=O)[O-])c1 ZINC001218395130 1033135474 /nfs/dbraw/zinc/13/54/74/1033135474.db2.gz UEYBDIFKINXJQR-WCBMZHEXSA-N 1 0 373.203 2.663 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)O[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001122803269 1023483989 /nfs/dbraw/zinc/48/39/89/1023483989.db2.gz WWWUHVQWZOUNSC-PBHICJAKSA-N 1 0 372.425 2.554 20 5 FFBDRO CC(C)[N@H+](CCO)CC1CCN(c2c(Cl)cncc2[N+](=O)[O-])CC1 ZINC001120959095 1023544266 /nfs/dbraw/zinc/54/42/66/1023544266.db2.gz FPSPJXXCGWMRBA-UHFFFAOYSA-N 1 0 356.854 2.562 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2nnc(N3CC[NH+](C4CC4)CC3)n2CC2CC2)s1 ZINC001123426630 1023795507 /nfs/dbraw/zinc/79/55/07/1023795507.db2.gz YHRUBMJTMNALPN-UHFFFAOYSA-N 1 0 374.470 2.609 20 5 FFBDRO CCn1c([C@H](C)[N+](=O)[O-])nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC001121700264 1023934626 /nfs/dbraw/zinc/93/46/26/1023934626.db2.gz UNTHOXWKJXLOKU-PMPSAXMXSA-N 1 0 364.494 2.727 20 5 FFBDRO Cn1c(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)ccc1[C@H]1CCCC[NH2+]1 ZINC001121875462 1024125184 /nfs/dbraw/zinc/12/51/84/1024125184.db2.gz PBRAUVNKYBBANT-QGZVFWFLSA-N 1 0 368.437 2.946 20 5 FFBDRO Cc1c(CO)cc([N+](=O)[O-])c(NCC2(C[NH+](C)C)CCCC2)c1[N+](=O)[O-] ZINC000758964914 1024399945 /nfs/dbraw/zinc/39/99/45/1024399945.db2.gz PLNYGLIFLXHUOQ-UHFFFAOYSA-N 1 0 366.418 2.838 20 5 FFBDRO C[C@@H](C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000194642016 1024870849 /nfs/dbraw/zinc/87/08/49/1024870849.db2.gz HQXZHSRFHXMAAO-OAGGEKHMSA-N 1 0 360.458 2.505 20 5 FFBDRO COc1cc(C(=O)OCC[N@H+](C)Cc2ccccc2)c([N+](=O)[O-])cc1OC ZINC000837315048 1025720150 /nfs/dbraw/zinc/72/01/50/1025720150.db2.gz KJSVTYDSCAWKKO-UHFFFAOYSA-N 1 0 374.393 2.901 20 5 FFBDRO COC(=O)c1cc(C(=O)OC[C@H]2CCCC[N@@H+]2C(C)C)cc([N+](=O)[O-])c1 ZINC000837342877 1025734636 /nfs/dbraw/zinc/73/46/36/1025734636.db2.gz CBJIKTHIMXYQGR-OAHLLOKOSA-N 1 0 364.398 2.801 20 5 FFBDRO CCCCc1noc(COC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)n1 ZINC000838100455 1026208843 /nfs/dbraw/zinc/20/88/43/1026208843.db2.gz DZGBXQKZFCFPRS-UHFFFAOYSA-N 1 0 371.353 2.863 20 5 FFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+](Cc2ccccc2)[C@H](CO)C2CC2)c1 ZINC000246569146 1026274081 /nfs/dbraw/zinc/27/40/81/1026274081.db2.gz LVMMOPYPBKELBB-UXHICEINSA-N 1 0 356.422 2.901 20 5 FFBDRO Cc1ccc(COC(=O)[C@H]2CN(Cc3ccccc3)CCO2)cc1[N+](=O)[O-] ZINC000839395939 1026665038 /nfs/dbraw/zinc/66/50/38/1026665038.db2.gz FFWKYHIGTVBQJR-LJQANCHMSA-N 1 0 370.405 2.847 20 5 FFBDRO O=C(CC[N@@H+]1C[C@H](O)C[C@H]1c1ccccc1)Nc1cc([N+](=O)[O-])ccc1F ZINC000839635011 1026769115 /nfs/dbraw/zinc/76/91/15/1026769115.db2.gz FMAWLLVNTAXMMV-QAPCUYQASA-N 1 0 373.384 2.870 20 5 FFBDRO CO[C@H]1C[C@@H]([N@H+](C)Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C12CCC2 ZINC000840140138 1026980257 /nfs/dbraw/zinc/98/02/57/1026980257.db2.gz MFGKZCZRBIYKIO-CVEARBPZSA-N 1 0 357.414 2.700 20 5 FFBDRO CCc1cc(N2CCC3(C[NH2+]C3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001159049253 1027247463 /nfs/dbraw/zinc/24/74/63/1027247463.db2.gz CANJMOKADULPNL-UHFFFAOYSA-N 1 0 353.426 2.804 20 5 FFBDRO Cc1cc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c(N)c([N+](=O)[O-])c1 ZINC000248055084 1027376373 /nfs/dbraw/zinc/37/63/73/1027376373.db2.gz OFPGUDORLRVHRG-YJBOKZPZSA-N 1 0 354.410 2.661 20 5 FFBDRO COC(=O)c1cnc(-n2cc(C[C@@H](C)[NH3+])c3ccc(C)cc32)c([N+](=O)[O-])c1 ZINC001160012369 1027562549 /nfs/dbraw/zinc/56/25/49/1027562549.db2.gz RXDWEFYBFAQAJB-GFCCVEGCSA-N 1 0 368.393 2.918 20 5 FFBDRO Cc1ccc(C)c(C[N@H+]2CC=C(CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 ZINC001160097003 1027587817 /nfs/dbraw/zinc/58/78/17/1027587817.db2.gz DQKMCUZPZKNLIX-RTBURBONSA-N 1 0 357.454 2.607 20 5 FFBDRO CC(=O)OC1CC[NH+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000093453737 1027728416 /nfs/dbraw/zinc/72/84/16/1027728416.db2.gz HUQAXBHEXGWKOX-UHFFFAOYSA-N 1 0 358.398 2.523 20 5 FFBDRO [NH3+]C/C=C/CNC(F)(F)c1cc(-c2cccc([N+](=O)[O-])c2)nnc1Cl ZINC001160983656 1027956659 /nfs/dbraw/zinc/95/66/59/1027956659.db2.gz QFAWJZPNUNMOJI-OWOJBTEDSA-N 1 0 369.759 2.859 20 5 FFBDRO O=[N+]([O-])c1cnc(Cl)cc1NCC1CC[NH+](C2CCOCC2)CC1 ZINC001161234199 1028084550 /nfs/dbraw/zinc/08/45/50/1028084550.db2.gz JITHLGKETKGFMA-UHFFFAOYSA-N 1 0 354.838 2.946 20 5 FFBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CCC([NH3+])(CC2CCC2)CC1 ZINC001161576400 1028235069 /nfs/dbraw/zinc/23/50/69/1028235069.db2.gz OIJAOAHQSFAXJY-UHFFFAOYSA-N 1 0 362.430 2.654 20 5 FFBDRO O=[N+]([O-])c1cccc2ccc(-n3nc(C(F)(F)F)c4c3CC[NH2+]C4)nc21 ZINC001154849824 1028482672 /nfs/dbraw/zinc/48/26/72/1028482672.db2.gz VIGDUSDTNVNLLK-UHFFFAOYSA-N 1 0 363.299 2.993 20 5 FFBDRO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1NC[C@@H]1CCC[NH2+]C[C@H]1C ZINC001155018996 1028549207 /nfs/dbraw/zinc/54/92/07/1028549207.db2.gz BRKLWJYISVXCKM-MNOVXSKESA-N 1 0 370.837 2.868 20 5 FFBDRO CCOC(=O)c1cc([N+](=O)[O-])c(NCC[NH+]2CCC(OC)CC2)cc1C ZINC001162663773 1028613192 /nfs/dbraw/zinc/61/31/92/1028613192.db2.gz BFAUOGRLQNWVCA-UHFFFAOYSA-N 1 0 365.430 2.603 20 5 FFBDRO CCOC1(OCC)CC[NH2+]C[C@@H]1Nc1ccc([N+](=O)[O-])c2cnccc12 ZINC001162730398 1028636601 /nfs/dbraw/zinc/63/66/01/1028636601.db2.gz XGGVUCRHAIDMKU-KRWDZBQOSA-N 1 0 360.414 2.686 20 5 FFBDRO CSc1nc(Cl)nc(N2Cc3ccccc3C[C@H]2C[NH3+])c1[N+](=O)[O-] ZINC001162744285 1028641670 /nfs/dbraw/zinc/64/16/70/1028641670.db2.gz JAWRLPYMYYFLLP-NSHDSACASA-N 1 0 365.846 2.650 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])c(-n2c3ccccc3nc2[C@@H](C)[NH3+])cc1OC ZINC001162777830 1028654062 /nfs/dbraw/zinc/65/40/62/1028654062.db2.gz VXJSEQOOGSVEMK-SNVBAGLBSA-N 1 0 370.365 2.749 20 5 FFBDRO O=[N+]([O-])c1c(Cl)nc(C(F)(F)F)nc1N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC001155410804 1028724311 /nfs/dbraw/zinc/72/43/11/1028724311.db2.gz NCOPDGAVPNWQMN-UPONEAKYSA-N 1 0 351.716 2.754 20 5 FFBDRO O=[N+]([O-])c1cc2c(ncnc2NC[C@H]2CCC3(CC[NH2+]CC3)CO2)s1 ZINC001162956953 1028729815 /nfs/dbraw/zinc/72/98/15/1028729815.db2.gz HTSUDLSHGRILDD-LLVKDONJSA-N 1 0 363.443 2.560 20 5 FFBDRO COc1cc([N+](=O)[O-])c(NC[C@H]2CCC3(CC[NH2+]CC3)CO2)cc1F ZINC001162965613 1028736633 /nfs/dbraw/zinc/73/66/33/1028736633.db2.gz KXHYRBZNUDXREF-GFCCVEGCSA-N 1 0 353.394 2.703 20 5 FFBDRO O=[N+]([O-])c1c(Cl)nc(Cl)nc1NCC[C@@H]1C[NH2+]Cc2cccn2C1 ZINC001155452716 1028740095 /nfs/dbraw/zinc/74/00/95/1028740095.db2.gz DYMGIUOEBXEHQX-SECBINFHSA-N 1 0 371.228 2.715 20 5 FFBDRO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1NC1CC2(C1)CCC[NH2+]C2 ZINC001162981001 1028745280 /nfs/dbraw/zinc/74/52/80/1028745280.db2.gz IUYVMBNPJLEPGS-UHFFFAOYSA-N 1 0 368.821 2.764 20 5 FFBDRO O=[N+]([O-])c1ccc(NC[C@H]2OC[C@H]3C[NH2+]CC[C@H]32)nc1-c1ccccc1 ZINC001155525685 1028776980 /nfs/dbraw/zinc/77/69/80/1028776980.db2.gz OLZWUOBPQZXKAR-BFYDXBDKSA-N 1 0 354.410 2.693 20 5 FFBDRO O=[N+]([O-])c1cc2c(Cl)ncnc2cc1N[C@H]1CCO[C@]2(CC[NH2+]C2)C1 ZINC001155618889 1028819620 /nfs/dbraw/zinc/81/96/20/1028819620.db2.gz NDPMIDGKSXFHRL-MGPLVRAMSA-N 1 0 363.805 2.514 20 5 FFBDRO COC(=O)c1ncc([N+](=O)[O-])c(C)c1N[C@@H]1CC[NH2+][C@H]1c1ccccc1 ZINC001163212677 1028843252 /nfs/dbraw/zinc/84/32/52/1028843252.db2.gz YHPPBEVOLSAZNW-CJNGLKHVSA-N 1 0 356.382 2.600 20 5 FFBDRO COC(=O)c1ccc([C@H]([NH3+])CNc2ncc(Cl)cc2[N+](=O)[O-])cc1 ZINC001163463160 1028935943 /nfs/dbraw/zinc/93/59/43/1028935943.db2.gz ZTFPGABUOSDXOW-GFCCVEGCSA-N 1 0 350.762 2.542 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])cc(-n2c(C)c(C)c3cc(C[NH3+])ccc32)n1 ZINC001163756669 1029050025 /nfs/dbraw/zinc/05/00/25/1029050025.db2.gz HUYYYELARUMWFJ-UHFFFAOYSA-N 1 0 354.366 2.796 20 5 FFBDRO Nc1cc([N+](=O)[O-])cnc1N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC001156316647 1029141267 /nfs/dbraw/zinc/14/12/67/1029141267.db2.gz HIXCKAVUGPEHOW-QGPMSJSTSA-N 1 0 353.426 2.895 20 5 FFBDRO CC[N@H+]([C@@H]1CCOC1)C1CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC001165108652 1029394802 /nfs/dbraw/zinc/39/48/02/1029394802.db2.gz ORIQFIFCZGYSRC-CQSZACIVSA-N 1 0 354.838 2.723 20 5 FFBDRO CC[N@H+]([C@H]1CCOC1)C1CCN(c2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC001165113226 1029399812 /nfs/dbraw/zinc/39/98/12/1029399812.db2.gz PKPWBAHSYZZCOM-HNNXBMFYSA-N 1 0 371.441 2.618 20 5 FFBDRO CN(C1C[NH2+]C1)C(F)(F)c1cc(-c2ccc([N+](=O)[O-])cc2)nnc1Cl ZINC001165126512 1029408821 /nfs/dbraw/zinc/40/88/21/1029408821.db2.gz IQOKRYQJNMHBBF-UHFFFAOYSA-N 1 0 369.759 2.658 20 5 FFBDRO CCc1cc(N2C[C@H]3C[NH+](C)C[C@@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001165148627 1029421360 /nfs/dbraw/zinc/42/13/60/1029421360.db2.gz JTJRZYDXCSYKIX-HUUCEWRRSA-N 1 0 353.426 2.612 20 5 FFBDRO COc1cc2ncnc(N3CCCC[C@@]34CCC[NH2+]C4)c2cc1[N+](=O)[O-] ZINC001157471712 1029593368 /nfs/dbraw/zinc/59/33/68/1029593368.db2.gz NEABICKDDNHKTF-SFHVURJKSA-N 1 0 357.414 2.659 20 5 FFBDRO C[C@@H]1CN(Cn2nc(-c3ccc([N+](=O)[O-])cc3)oc2=O)[C@@H]2CCCC[C@H]21 ZINC000782278100 1029637886 /nfs/dbraw/zinc/63/78/86/1029637886.db2.gz TWJJDWQQKIFWBA-UHOFOFEASA-N 1 0 358.398 2.880 20 5 FFBDRO CCC[NH+]1C[C@H]2CN(C(F)(F)c3cnc(Cl)c([N+](=O)[O-])c3)C[C@@H]2C1 ZINC001157691520 1029646560 /nfs/dbraw/zinc/64/65/60/1029646560.db2.gz XDXAHMGYPHMBOH-QWRGUYRKSA-N 1 0 360.792 2.966 20 5 FFBDRO CCC[NH+]1C[C@@H]2CN(C(F)(F)c3ccc([N+](=O)[O-])c(Cl)n3)C[C@H]2C1 ZINC001157692604 1029646917 /nfs/dbraw/zinc/64/69/17/1029646917.db2.gz XEQYHTQUBBZLFS-GHMZBOCLSA-N 1 0 360.792 2.966 20 5 FFBDRO [NH3+]CCN(c1cccnc1)c1nc(C(F)(F)F)nc(Cl)c1[N+](=O)[O-] ZINC001158001318 1029705439 /nfs/dbraw/zinc/70/54/39/1029705439.db2.gz BKWMEUKIJKIJJO-UHFFFAOYSA-N 1 0 362.699 2.549 20 5 FFBDRO COc1cc(N(c2nc(C)cc(OC)c2[N+](=O)[O-])C2CC[NH2+]CC2)ccn1 ZINC001158331524 1029800128 /nfs/dbraw/zinc/80/01/28/1029800128.db2.gz WXPQZLLTFVPZTQ-UHFFFAOYSA-N 1 0 373.413 2.601 20 5 FFBDRO CCOC(=O)c1cnc(NCC2C[NH+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001165413113 1029971496 /nfs/dbraw/zinc/97/14/96/1029971496.db2.gz KSMIGQMOBWIJSE-UHFFFAOYSA-N 1 0 370.409 2.710 20 5 FFBDRO Cc1cccc(N(c2cc([N+](=O)[O-])ccn2)[C@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC001165773161 1030119070 /nfs/dbraw/zinc/11/90/70/1030119070.db2.gz WJQLUCMXKNXNAE-IEBWSBKVSA-N 1 0 354.410 2.957 20 5 FFBDRO O=[N+]([O-])c1cnc(N2CCC[C@H](Cc3ccccc3)C2)nc1C1C[NH2+]C1 ZINC001166563257 1030445201 /nfs/dbraw/zinc/44/52/01/1030445201.db2.gz CQTAPGNUBWQZFT-OAHLLOKOSA-N 1 0 353.426 2.531 20 5 FFBDRO O=C1NC2(CC[NH2+]CC2)N(c2cc(Cl)cc([N+](=O)[O-])n2)c2ccccc21 ZINC001166808097 1030526116 /nfs/dbraw/zinc/52/61/16/1030526116.db2.gz WNEYFLOPFWRHSM-UHFFFAOYSA-N 1 0 373.800 2.604 20 5 FFBDRO Cc1cc(Cl)nc(-n2cc3c(cccc3N3CC[NH2+]CC3)n2)c1[N+](=O)[O-] ZINC001166991641 1030600872 /nfs/dbraw/zinc/60/08/72/1030600872.db2.gz ISPZRTFQDRFGPW-UHFFFAOYSA-N 1 0 372.816 2.700 20 5 FFBDRO CC(C)(C)N1CC[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1=O ZINC000842886827 1031020602 /nfs/dbraw/zinc/02/06/02/1031020602.db2.gz TXWLVRDMFDUXLN-KRWDZBQOSA-N 1 0 360.458 2.553 20 5 FFBDRO CCc1ccc([C@H](O)C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000843093366 1031181600 /nfs/dbraw/zinc/18/16/00/1031181600.db2.gz MKABYQZIVOQSSL-GOSISDBHSA-N 1 0 357.410 2.809 20 5 FFBDRO O=[N+]([O-])c1ccccc1NCCc1noc([C@H]2C[NH2+]Cc3ccccc32)n1 ZINC000843184658 1031227622 /nfs/dbraw/zinc/22/76/22/1031227622.db2.gz GSMSENDVJKLDIE-HNNXBMFYSA-N 1 0 365.393 2.868 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(Cc2noc(C[C@H](C)[C@@H]3CCC[NH2+]C3)n2)c1 ZINC000843222216 1031254351 /nfs/dbraw/zinc/25/43/51/1031254351.db2.gz DXERMQUMVFMPNH-QWHCGFSZSA-N 1 0 360.414 2.755 20 5 FFBDRO C[C@]1(CNc2ccc3ncc([N+](=O)[O-])n3n2)CC[N@H+](Cc2ccccc2)C1 ZINC000798400801 1031391789 /nfs/dbraw/zinc/39/17/89/1031391789.db2.gz DDQPCCUMGBANHA-LJQANCHMSA-N 1 0 366.425 2.962 20 5 FFBDRO O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000843486879 1031425422 /nfs/dbraw/zinc/42/54/22/1031425422.db2.gz WVWMBCFUFKATOD-CVEARBPZSA-N 1 0 372.469 2.657 20 5 FFBDRO [NH3+][C@@H]1CN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC[C@H]1c1ccc(F)cc1 ZINC000843502082 1031432597 /nfs/dbraw/zinc/43/25/97/1031432597.db2.gz XMCBITNSAQAKLD-GOEBONIOSA-N 1 0 361.348 2.830 20 5 FFBDRO CC(C)[C@@H](C(=O)O[C@@H]1CCCN(c2ccc(F)cc2[N+](=O)[O-])C1)[NH+](C)C ZINC000798859162 1031567082 /nfs/dbraw/zinc/56/70/82/1031567082.db2.gz CCSLNHOOUJUADE-PBHICJAKSA-N 1 0 367.421 2.832 20 5 FFBDRO Nc1c(Cl)cc(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)cc1[N+](=O)[O-] ZINC001150780202 1031784060 /nfs/dbraw/zinc/78/40/60/1031784060.db2.gz BIELIBQOGYBYJP-LBPRGKRZSA-N 1 0 352.822 2.577 20 5 FFBDRO CCc1ccccc1C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCCC1 ZINC001115530586 1031786239 /nfs/dbraw/zinc/78/62/39/1031786239.db2.gz FVAGAQDFWHSTSQ-QZTJIDSGSA-N 1 0 359.470 2.823 20 5 FFBDRO O=C(NCC[N@@H+]1CCc2ccccc2C1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001205635193 1031891204 /nfs/dbraw/zinc/89/12/04/1031891204.db2.gz DGPNSILWLOJYFV-UHFFFAOYSA-N 1 0 358.373 2.914 20 5 FFBDRO C[NH+](C)CC[C@@H](NC(=O)CCc1cc(F)ccc1[N+](=O)[O-])c1cccnc1 ZINC000830209012 1033511787 /nfs/dbraw/zinc/51/17/87/1033511787.db2.gz GRRIBCDADXOVNN-QGZVFWFLSA-N 1 0 374.416 2.871 20 5 FFBDRO O=C(CC[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O)Nc1cc([N+](=O)[O-])ccc1F ZINC000831164322 1033975214 /nfs/dbraw/zinc/97/52/14/1033975214.db2.gz BTQJKKYMSBJTQX-XKQJLSEDSA-N 1 0 365.405 2.688 20 5 FFBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccccc1-c1nc2ccccc2o1 ZINC001226521891 1034720766 /nfs/dbraw/zinc/72/07/66/1034720766.db2.gz WKPXRUMFMVCPJO-CQSZACIVSA-N 1 0 355.414 2.857 20 5 FFBDRO CC(C)(C[NH2+]Cc1c(Br)cccc1[N+](=O)[O-])[C@@]1(O)CCOC1 ZINC001202929607 1035086787 /nfs/dbraw/zinc/08/67/87/1035086787.db2.gz LCLCACFTZROXSB-OAHLLOKOSA-N 1 0 373.247 2.625 20 5 FFBDRO CC[N@H+](CCN1CCOCC1)Cc1ccc2ccc3cccnc3c2n1 ZINC001232221679 1035503589 /nfs/dbraw/zinc/50/35/89/1035503589.db2.gz CMPKNDRNOLQZOK-UHFFFAOYSA-N 1 0 350.466 2.937 20 5 FFBDRO CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC001536194303 1069933915 /nfs/dbraw/zinc/93/39/15/1069933915.db2.gz IZVWJGMTCIXHLX-MRXNPFEDSA-N 1 0 358.442 2.807 20 5 FFBDRO O=[N+]([O-])c1ccc2[nH]c(OC[C@@H]3CN(Cc4ccccc4)CCO3)nc2c1 ZINC001227744802 1035711500 /nfs/dbraw/zinc/71/15/00/1035711500.db2.gz JIRQIPNGRMHWDC-INIZCTEOSA-N 1 0 368.393 2.751 20 5 FFBDRO O=c1[n-]c(C2CC2)nc(O[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC001228606285 1036201733 /nfs/dbraw/zinc/20/17/33/1036201733.db2.gz OHELFRXAJZBXRH-CQSZACIVSA-N 1 0 356.382 2.621 20 5 FFBDRO COC(=O)c1c(OC2CCN(c3cc[nH+]cc3)CC2)cccc1[N+](=O)[O-] ZINC001229049594 1036473916 /nfs/dbraw/zinc/47/39/16/1036473916.db2.gz FQQDSDSGPUDPMK-UHFFFAOYSA-N 1 0 357.366 2.824 20 5 FFBDRO Cc1nc(O[C@@H]2CCC[N@H+](Cc3ccccc3F)C2)c([N+](=O)[O-])c(=O)[n-]1 ZINC001229380077 1036642096 /nfs/dbraw/zinc/64/20/96/1036642096.db2.gz ZEPCNXGEGFSMDG-CYBMUJFWSA-N 1 0 362.361 2.581 20 5 FFBDRO CC(=O)O[C@@H]1C[C@@H]2C[C@H](Oc3c4cccnc4ccc3[N+](=O)[O-])C[C@H]1[N@@H+]2C ZINC001233783857 1036761329 /nfs/dbraw/zinc/76/13/29/1036761329.db2.gz AGIVBLWFNYINJU-RPLLJCPNSA-N 1 0 371.393 2.689 20 5 FFBDRO CCOC(=O)Cc1ccc([N+](=O)[O-])c(O[C@@H]2[C@@H]3CCC[C@H]2C[N@@H+](C)C3)c1 ZINC001234410130 1037025043 /nfs/dbraw/zinc/02/50/43/1037025043.db2.gz NFYJFMXQCKOHPV-CCWDJLKJSA-N 1 0 362.426 2.810 20 5 FFBDRO CCOC(=O)Cc1ccc([N+](=O)[O-])c(O[C@@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC001234411411 1037025464 /nfs/dbraw/zinc/02/54/64/1037025464.db2.gz SLSKPWDKLNVWJQ-OAHLLOKOSA-N 1 0 350.415 2.952 20 5 FFBDRO C[C@@H](c1ccccn1)[N@@H+]1CCC[C@H](Oc2nc3c[nH]cc([N+](=O)[O-])c-3n2)C1 ZINC001230231709 1037163848 /nfs/dbraw/zinc/16/38/48/1037163848.db2.gz QDTVAZSPLRWHKD-STQMWFEESA-N 1 0 368.397 2.866 20 5 FFBDRO COc1c(O)ccc2c(=O)c3c(O[C@@H](C)C[NH+](C)C)cc(O)cc3oc21 ZINC001234749569 1037167364 /nfs/dbraw/zinc/16/73/64/1037167364.db2.gz QLGHDCHEPZKIGP-JTQLQIEISA-N 1 0 359.378 2.695 20 5 FFBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cc(OC(F)(F)F)ccc1Cl ZINC001230830835 1037370508 /nfs/dbraw/zinc/37/05/08/1037370508.db2.gz FYGRWPCPHGRVIB-SECBINFHSA-N 1 0 356.748 2.601 20 5 FFBDRO C[C@H](C[N+](C)(C)C)Oc1ncccc1C(=O)Nc1ccc(N(C)C)cc1 ZINC001231373141 1037552047 /nfs/dbraw/zinc/55/20/47/1037552047.db2.gz OVXZKEINIIXVJT-OAHLLOKOSA-O 1 0 357.478 2.873 20 5 FFBDRO CCc1ccc(S(=O)(=O)NCCC[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC001208087454 1038019833 /nfs/dbraw/zinc/01/98/33/1038019833.db2.gz WXTABFUUUVWDPX-UHFFFAOYSA-N 1 0 369.487 2.558 20 5 FFBDRO COc1cc(N2CCC([NH2+]Cc3nc(C)oc3C)CC2)ccc1[N+](=O)[O-] ZINC001256084294 1038369309 /nfs/dbraw/zinc/36/93/09/1038369309.db2.gz YSKNLXSXLUGSMW-UHFFFAOYSA-N 1 0 360.414 2.967 20 5 FFBDRO C[C@@H]1C[NH+](CCc2nnc(-c3cc([N+](=O)[O-])c(F)cc3F)o2)C[C@@H](C)O1 ZINC001258139442 1039217732 /nfs/dbraw/zinc/21/77/32/1039217732.db2.gz SHMYFVBDKVLGHS-NXEZZACHSA-N 1 0 368.340 2.575 20 5 FFBDRO CC1(C)CCNC[C@@H]1[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001246323292 1039312987 /nfs/dbraw/zinc/31/29/87/1039312987.db2.gz AFJVVZSKEVJZQD-INIZCTEOSA-N 1 0 368.428 2.820 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CCCC[C@](F)(C[NH3+])C2)c1F ZINC001246573516 1039401534 /nfs/dbraw/zinc/40/15/34/1039401534.db2.gz DANUXFBTOBNKGZ-PXAZEXFGSA-N 1 0 357.401 2.826 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CC[C@@]3(C2)CCCC[NH2+]3)c1F ZINC001246620635 1039418384 /nfs/dbraw/zinc/41/83/84/1039418384.db2.gz KVSSBDIDOVZXPG-SCLBCKFNSA-N 1 0 351.422 2.892 20 5 FFBDRO COC(=O)[C@@H](O)CNc1cc2oc3cc(=[NH2+])ccc-3nc2c2ccccc12 ZINC001252435123 1039538867 /nfs/dbraw/zinc/53/88/67/1039538867.db2.gz UNDOEPYQOLADEP-INIZCTEOSA-N 1 0 363.373 2.511 20 5 FFBDRO C[NH+]1CCN(CCc2nc(-c3ccc4ccc5cccnc5c4n3)no2)CC1 ZINC001247447964 1039755706 /nfs/dbraw/zinc/75/57/06/1039755706.db2.gz HBGFDNKCENRDCV-UHFFFAOYSA-N 1 0 374.448 2.623 20 5 FFBDRO CN1CCc2c(sc(Nc3ccc(F)c([N+](=O)[O-])c3)c2C(N)=O)C1 ZINC001211190680 1039985112 /nfs/dbraw/zinc/98/51/12/1039985112.db2.gz ZNWPIHCSQUNNMJ-UHFFFAOYSA-N 1 0 350.375 2.626 20 5 FFBDRO CCOC(=O)[C@H]1CCC[C@@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254469234 1040734988 /nfs/dbraw/zinc/73/49/88/1040734988.db2.gz IWYHYCGNHQJGSA-ROUUACIJSA-N 1 0 361.442 2.885 20 5 FFBDRO O=C1Nc2ccccc2[C@H]1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254472893 1040740238 /nfs/dbraw/zinc/74/02/38/1040740238.db2.gz UEXPYXBMURINBW-GOSISDBHSA-N 1 0 366.421 2.889 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([N@H+]3CCC(F)(F)[C@H](CO)C3)CC2)cc1 ZINC001254475717 1040743104 /nfs/dbraw/zinc/74/31/04/1040743104.db2.gz ILGNJYMKOIUGGQ-ZDUSSCGKSA-N 1 0 355.385 2.513 20 5 FFBDRO COC(=O)C[C@H]1CCC[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254480400 1040747189 /nfs/dbraw/zinc/74/71/89/1040747189.db2.gz FOMNERXSVRBTRY-OAHLLOKOSA-N 1 0 361.442 2.839 20 5 FFBDRO COC(=O)C[N@H+](C1CCCC1)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254480212 1040747305 /nfs/dbraw/zinc/74/73/05/1040747305.db2.gz YGHTVOKUUYRNJF-UHFFFAOYSA-N 1 0 361.442 2.981 20 5 FFBDRO CCn1c(=O)ccc2c1CC[C@@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])C2 ZINC001254535404 1040785142 /nfs/dbraw/zinc/78/51/42/1040785142.db2.gz JEHXEWYHGRSAFX-WMLDXEAASA-N 1 0 355.438 2.855 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CCN(C(=O)C(F)(F)F)CC1 ZINC001254550575 1040791614 /nfs/dbraw/zinc/79/16/14/1040791614.db2.gz MAJHQJOEOWYGBN-NSHDSACASA-N 1 0 359.348 2.669 20 5 FFBDRO CC[NH+](CC)CCCN1CCN([C@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254560274 1040797961 /nfs/dbraw/zinc/79/79/61/1040797961.db2.gz REZRVAGGUORMLE-GOSISDBHSA-N 1 0 362.518 2.875 20 5 FFBDRO C[C@H]([NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1ccc(S(C)(=O)=O)cc1 ZINC001254566943 1040801485 /nfs/dbraw/zinc/80/14/85/1040801485.db2.gz LIUDOZZGOADTCM-LRDDRELGSA-N 1 0 360.435 2.816 20 5 FFBDRO CCOC(=O)C[C@@H]([NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1cccnc1 ZINC001254578081 1040812996 /nfs/dbraw/zinc/81/29/96/1040812996.db2.gz IZJRBBWVNVCZAH-SJLPKXTDSA-N 1 0 355.394 2.741 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]Cc1ccc(CN3CCOCC3)cc1)C2 ZINC001254583868 1040816937 /nfs/dbraw/zinc/81/69/37/1040816937.db2.gz OIRWOVDDFMIFES-FQEVSTJZSA-N 1 0 367.449 2.684 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]C1(Cc3ccccn3)CCOCC1)C2 ZINC001254586330 1040817991 /nfs/dbraw/zinc/81/79/91/1040817991.db2.gz QMESWZVVODZBHE-GOSISDBHSA-N 1 0 353.422 2.839 20 5 FFBDRO CC(C)C(=O)N1CC[C@@H]2C[N@@H+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC[C@H]21 ZINC001254596122 1040825267 /nfs/dbraw/zinc/82/52/67/1040825267.db2.gz OWCVHDZHTZBVLR-ATZDWAIDSA-N 1 0 357.454 2.641 20 5 FFBDRO COC(=O)c1cccc2c1C[N@@H+]([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)CC2 ZINC001254609276 1040836276 /nfs/dbraw/zinc/83/62/76/1040836276.db2.gz VBHWRIBSFPYFJD-QGZVFWFLSA-N 1 0 352.390 2.907 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)c1F ZINC001262496330 1041705550 /nfs/dbraw/zinc/70/55/50/1041705550.db2.gz AUQSKQQIMKJFRY-YNEHKIRRSA-N 1 0 367.396 2.984 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@H]1CC[C@@H](SC)C1 ZINC001319541073 1045188214 /nfs/dbraw/zinc/18/82/14/1045188214.db2.gz LTGIBLHBTVUFFE-WCQYABFASA-N 1 0 353.444 2.758 20 5 FFBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+]CCN2CCC(CO)CC2)c2ccccc2)c1 ZINC001319903179 1045299060 /nfs/dbraw/zinc/29/90/60/1045299060.db2.gz FITIBBPUQGCNOC-NRFANRHFSA-N 1 0 369.465 2.978 20 5 FFBDRO Cc1c(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)ccc2c[nH+]cn21 ZINC001320171008 1045361778 /nfs/dbraw/zinc/36/17/78/1045361778.db2.gz RZJDLJIVRQRHQA-LBPRGKRZSA-N 1 0 368.349 2.735 20 5 FFBDRO CCOC(=O)C[C@@H]1CCC[N@@H+]1Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC001320577946 1045430889 /nfs/dbraw/zinc/43/08/89/1045430889.db2.gz AWDLXEZRPSLYLS-INIZCTEOSA-N 1 0 358.398 2.833 20 5 FFBDRO Cc1c(C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)ccc2c[nH+]cn21 ZINC001320886146 1045488431 /nfs/dbraw/zinc/48/84/31/1045488431.db2.gz UHVGQNDFNGSNJZ-UHFFFAOYSA-N 1 0 368.349 2.965 20 5 FFBDRO Cc1ccc([C@H](C)NC(=O)c2ccn(-c3cc[nH+]cc3)n2)cc1[N+](=O)[O-] ZINC001322041838 1045930733 /nfs/dbraw/zinc/93/07/33/1045930733.db2.gz VKCFSFAXKJTOEO-ZDUSSCGKSA-N 1 0 351.366 2.975 20 5 FFBDRO O=C(NC1(C[NH2+]Cc2sccc2Cl)CCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001282608047 1045955941 /nfs/dbraw/zinc/95/59/41/1045955941.db2.gz VOVKOENUYGKVAR-DGCLKSJQSA-N 1 0 371.890 2.975 20 5 FFBDRO COc1cccc2cc(C[NH2+]C[C@@H](O)COc3cccc([N+](=O)[O-])c3)oc21 ZINC001325839791 1046657919 /nfs/dbraw/zinc/65/79/19/1046657919.db2.gz GGELWXYFIUAAIW-OAHLLOKOSA-N 1 0 372.377 2.879 20 5 FFBDRO CC1CC[NH+](CCc2nnc(-c3cc([N+](=O)[O-])cc4c3OCCO4)o2)CC1 ZINC001326267693 1046839095 /nfs/dbraw/zinc/83/90/95/1046839095.db2.gz WBXNSCKRBLUXRN-UHFFFAOYSA-N 1 0 374.397 2.690 20 5 FFBDRO C[C@@H](CC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)N(C)C(=O)OC(C)(C)C ZINC001326599442 1046994573 /nfs/dbraw/zinc/99/45/73/1046994573.db2.gz NUNADQJFFLPNSJ-XJKSGUPXSA-N 1 0 367.446 2.863 20 5 FFBDRO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001540453659 1070894457 /nfs/dbraw/zinc/89/44/57/1070894457.db2.gz BFJLAODPKZAEMS-GFCCVEGCSA-N 1 0 363.805 2.538 20 5 FFBDRO CC1(C)[C@@H]2[NH2+]CCC[C@@H]2[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC001332013801 1048211485 /nfs/dbraw/zinc/21/14/85/1048211485.db2.gz RUIXPMLHWNYAEZ-QGTPRVQTSA-N 1 0 372.469 2.701 20 5 FFBDRO CC(C)[C@H](C(=O)NCc1ccc(Br)cc1[N+](=O)[O-])[C@H](C)[NH3+] ZINC001330961488 1049412668 /nfs/dbraw/zinc/41/26/68/1049412668.db2.gz RVQRXWQLSLGHMP-ZANVPECISA-N 1 0 358.236 2.593 20 5 FFBDRO O=C(CCC12CC(C1)C[NH2+]2)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC001330984827 1049425809 /nfs/dbraw/zinc/42/58/09/1049425809.db2.gz XOAYACDNQQWGQK-UHFFFAOYSA-N 1 0 368.231 2.506 20 5 FFBDRO CC(C)c1nnc(N(C)CCc2cccc([N+](=O)[O-])c2)n1C[C@@H](C)[NH+](C)C ZINC001541329573 1071077377 /nfs/dbraw/zinc/07/73/77/1071077377.db2.gz RIOXNKUWOKPGHF-OAHLLOKOSA-N 1 0 374.489 2.939 20 5 FFBDRO O=C(N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1c(F)cccc1[N+](=O)[O-] ZINC001341572562 1050199272 /nfs/dbraw/zinc/19/92/72/1050199272.db2.gz BKKCLEHAMMNNHC-AUUYWEPGSA-N 1 0 371.368 2.720 20 5 FFBDRO O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCC[C@]12CC[NH2+]C2 ZINC001341610570 1050237377 /nfs/dbraw/zinc/23/73/77/1050237377.db2.gz YELCGRORXIZERE-QGZVFWFLSA-N 1 0 358.423 2.686 20 5 FFBDRO O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCC[C@@]12CC[NH2+]C2 ZINC001341610568 1050237894 /nfs/dbraw/zinc/23/78/94/1050237894.db2.gz YELCGRORXIZERE-KRWDZBQOSA-N 1 0 358.423 2.686 20 5 FFBDRO C[NH2+][C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1SC)Cc1ccccc1 ZINC001341767839 1050383557 /nfs/dbraw/zinc/38/35/57/1050383557.db2.gz RMYKULVTRKMWCH-AWEZNQCLSA-N 1 0 359.451 2.877 20 5 FFBDRO O=C(Nc1ccc2c(c1)C[NH2+]CCO2)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001341785598 1050399169 /nfs/dbraw/zinc/39/91/69/1050399169.db2.gz CNLZEDUDOVKJGS-IAGOWNOFSA-N 1 0 353.378 2.819 20 5 FFBDRO COc1ccc(CNC(=O)c2ccc([C@@H]3CCCC[NH2+]3)n2C)cc1[N+](=O)[O-] ZINC001339997680 1050409366 /nfs/dbraw/zinc/40/93/66/1050409366.db2.gz ZIZIOQQMMJKNQZ-AWEZNQCLSA-N 1 0 372.425 2.687 20 5 FFBDRO [NH3+]CCc1ccc(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC001340100105 1050504725 /nfs/dbraw/zinc/50/47/25/1050504725.db2.gz QKGCCSPISBGPPB-UHFFFAOYSA-N 1 0 369.421 2.780 20 5 FFBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NC1(C2CC[NH2+]CC2)CC1 ZINC001342169516 1050762538 /nfs/dbraw/zinc/76/25/38/1050762538.db2.gz WABUIKGFFBSJAN-UHFFFAOYSA-N 1 0 367.833 2.666 20 5 FFBDRO CCN(C(=O)c1cc(F)cc([N+](=O)[O-])c1Br)[C@@H]1CCC[NH2+]C1 ZINC001342280657 1050873415 /nfs/dbraw/zinc/87/34/15/1050873415.db2.gz ZJVBCIGVLBTIAU-SNVBAGLBSA-N 1 0 374.210 2.711 20 5 FFBDRO Cc1cnc(C(=O)Nc2cc(N3CC[NH+](C)CC3)ccc2[N+](=O)[O-])cc1C ZINC001340880605 1051214224 /nfs/dbraw/zinc/21/42/24/1051214224.db2.gz FXUDDPUATUTRJV-UHFFFAOYSA-N 1 0 369.425 2.611 20 5 FFBDRO O=C(N[C@@H]1C[NH2+]CC2(CCOCC2)C1)c1cc([N+](=O)[O-])cc2ccccc21 ZINC001340900665 1051228405 /nfs/dbraw/zinc/22/84/05/1051228405.db2.gz CLENOQSROPIWEC-HNNXBMFYSA-N 1 0 369.421 2.637 20 5 FFBDRO COc1cc(C(=O)N2CC[N@H+](C3CCCC3)[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC001303540294 1051379185 /nfs/dbraw/zinc/37/91/85/1051379185.db2.gz OQYBTJCQUBSPOW-GFCCVEGCSA-N 1 0 365.405 2.831 20 5 FFBDRO COc1cccc(C(=O)N2CCC(C[NH3+])(c3ccccc3)CC2)c1[N+](=O)[O-] ZINC001342832159 1051440613 /nfs/dbraw/zinc/44/06/13/1051440613.db2.gz OCWHNNMERUCPDT-UHFFFAOYSA-N 1 0 369.421 2.736 20 5 FFBDRO C[C@H]1[C@H](NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC001303800974 1051450432 /nfs/dbraw/zinc/45/04/32/1051450432.db2.gz KHPOSVGFDNCRIL-GOEBONIOSA-N 1 0 360.458 2.654 20 5 FFBDRO C[C@]([NH3+])(C(=O)NC[C@H]1C[C@H]1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC001342880554 1051490823 /nfs/dbraw/zinc/49/08/23/1051490823.db2.gz JZPNDUNVWONXOX-JXXFODFXSA-N 1 0 353.422 2.764 20 5 FFBDRO CCn1c([C@H]2CCC[N@H+](C)C2)nnc1N(C)Cc1ccccc1[N+](=O)[O-] ZINC001342998734 1051614847 /nfs/dbraw/zinc/61/48/47/1051614847.db2.gz BOIAKXXDGXTOBP-HNNXBMFYSA-N 1 0 358.446 2.652 20 5 FFBDRO [NH3+]CC1(c2ccccc2)CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC001341317718 1051672637 /nfs/dbraw/zinc/67/26/37/1051672637.db2.gz DGEPZCSMPKHQES-UHFFFAOYSA-N 1 0 357.385 2.867 20 5 FFBDRO CC[NH+](CC)C1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC001343218531 1052073319 /nfs/dbraw/zinc/07/33/19/1052073319.db2.gz IKHSLRRHNZUDON-UHFFFAOYSA-N 1 0 366.437 2.869 20 5 FFBDRO CN(C)CC[N@H+](C)CCCN(C)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001307133550 1052255597 /nfs/dbraw/zinc/25/55/97/1052255597.db2.gz JTFWECZERUSXSX-UHFFFAOYSA-N 1 0 362.396 2.933 20 5 FFBDRO CC(C)(C)OC(=O)NC[C@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001307666762 1052332754 /nfs/dbraw/zinc/33/27/54/1052332754.db2.gz HAEBSGVRDLRESA-INIZCTEOSA-N 1 0 365.430 2.867 20 5 FFBDRO CC(C)([NH2+]C[C@H](O)c1cc(Br)no1)c1ccccc1[N+](=O)[O-] ZINC001307799489 1052350505 /nfs/dbraw/zinc/35/05/05/1052350505.db2.gz CHZKWJWAFUEYNU-NSHDSACASA-N 1 0 370.203 2.904 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(C[NH2+][C@@H](CO)C2CCCC2)o1 ZINC001307820393 1052353543 /nfs/dbraw/zinc/35/35/43/1052353543.db2.gz VFJQHCSVKXRIRO-ZDUSSCGKSA-N 1 0 366.805 2.939 20 5 FFBDRO COc1cc(C[NH2+]C[C@H](O)c2c(F)cccc2Cl)c([N+](=O)[O-])cc1O ZINC001308282762 1052441184 /nfs/dbraw/zinc/44/11/84/1052441184.db2.gz NDWXTAUEMBLOIM-AWEZNQCLSA-N 1 0 370.764 2.925 20 5 FFBDRO COc1c(O)ccc(CN(CC[NH+](C)C)Cc2ccccc2)c1[N+](=O)[O-] ZINC001308746379 1052494055 /nfs/dbraw/zinc/49/40/55/1052494055.db2.gz CWEFRSKSJMGZOO-UHFFFAOYSA-N 1 0 359.426 2.873 20 5 FFBDRO Cc1ccc(S(=O)(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC001309282173 1052590946 /nfs/dbraw/zinc/59/09/46/1052590946.db2.gz GNOFPCSTKQAUKZ-GUTXKFCHSA-N 1 0 369.487 2.548 20 5 FFBDRO COc1ccc(NC(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC001344498443 1052802639 /nfs/dbraw/zinc/80/26/39/1052802639.db2.gz ZHAMGHPNCCWPER-ZDUSSCGKSA-N 1 0 362.430 2.942 20 5 FFBDRO COc1ccc(NC(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)c([N+](=O)[O-])c1 ZINC001346261525 1052808347 /nfs/dbraw/zinc/80/83/47/1052808347.db2.gz XOGGUXHHHFWQSL-AWEZNQCLSA-N 1 0 362.430 2.799 20 5 FFBDRO Cc1nnc(N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)n1C[C@H](C)[NH+](C)C ZINC001543174687 1071403597 /nfs/dbraw/zinc/40/35/97/1071403597.db2.gz CQWRHQFGSATVBR-ZDUSSCGKSA-N 1 0 358.446 2.614 20 5 FFBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)Cc3ccc(F)cc3)c2)CC1 ZINC001337703451 1054957227 /nfs/dbraw/zinc/95/72/27/1054957227.db2.gz JFQSJHDXSRTGND-UHFFFAOYSA-N 1 0 372.400 2.667 20 5 FFBDRO Cc1c(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000847253266 1055321244 /nfs/dbraw/zinc/32/12/44/1055321244.db2.gz ABGUWEGCRWYPIG-LSDHHAIUSA-N 1 0 362.386 2.558 20 5 FFBDRO COC1(C[NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])CCOCC1 ZINC001349786368 1055468211 /nfs/dbraw/zinc/46/82/11/1055468211.db2.gz JPPKRBONRRSMFF-UHFFFAOYSA-N 1 0 359.220 2.643 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)c3cc(F)c(F)cc3[N+](=O)[O-])C[C@@H]2C1 ZINC001349967752 1055564278 /nfs/dbraw/zinc/56/42/78/1055564278.db2.gz OMHCMHBOCNKWNZ-GRYCIOLGSA-N 1 0 353.369 2.675 20 5 FFBDRO O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCCC12CC[NH2+]CC2 ZINC001357162008 1055799895 /nfs/dbraw/zinc/79/98/95/1055799895.db2.gz KRVMLBPZVGGBFX-KRWDZBQOSA-N 1 0 360.458 2.683 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)n1 ZINC001352871931 1055885926 /nfs/dbraw/zinc/88/59/26/1055885926.db2.gz JHMLYVASUSHWGS-UHFFFAOYSA-N 1 0 360.389 2.641 20 5 FFBDRO Cc1cc(C(=O)N2CCC(C(C)(C)C[NH+](C)C)CC2)c(N)c([N+](=O)[O-])c1 ZINC001350740356 1055917592 /nfs/dbraw/zinc/91/75/92/1055917592.db2.gz DQKXYSHVPBQZGC-UHFFFAOYSA-N 1 0 362.474 2.925 20 5 FFBDRO C[C@](N)(C(=O)N1CCC(Oc2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC001353085518 1056064942 /nfs/dbraw/zinc/06/49/42/1056064942.db2.gz JVAGQZQVGXCRHZ-HXUWFJFHSA-N 1 0 369.421 2.839 20 5 FFBDRO CC(C)[C@H](CNc1ncc([N+](=O)[O-])c2ccccc21)[NH+]1CCN(C)CC1 ZINC001353227508 1056207893 /nfs/dbraw/zinc/20/78/93/1056207893.db2.gz FFVKOWAWGAXRFJ-KRWDZBQOSA-N 1 0 357.458 2.827 20 5 FFBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@H]3CCC[C@@H](C(F)(F)F)O3)CC2)n1 ZINC001351413599 1056251641 /nfs/dbraw/zinc/25/16/41/1056251641.db2.gz HRTMDKJQSCVYFN-OLZOCXBDSA-N 1 0 362.352 2.928 20 5 FFBDRO CC(C)[N@@H+]1CC[C@@H](C(=O)Oc2cccc([N+](=O)[O-])c2)[C@@H](c2cnn(C)c2)C1 ZINC000849487696 1056872705 /nfs/dbraw/zinc/87/27/05/1056872705.db2.gz FBLCPNPGHVWRPG-QZTJIDSGSA-N 1 0 372.425 2.748 20 5 FFBDRO C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])c2ccccc12)[C@H]1C[N@H+](C)CCN1C ZINC001517886779 1058189150 /nfs/dbraw/zinc/18/91/50/1058189150.db2.gz BEPPJRRCCDGVEF-SCLBCKFNSA-N 1 0 371.441 2.504 20 5 FFBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)Cc3cccs3)c2)CC1 ZINC001518549349 1058418755 /nfs/dbraw/zinc/41/87/55/1058418755.db2.gz LXJKTGVPYCSQDK-UHFFFAOYSA-N 1 0 360.439 2.589 20 5 FFBDRO C[NH+]1C[C@@]2(C)CN(C(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])C[C@]2(C)C1 ZINC001454283395 1059485046 /nfs/dbraw/zinc/48/50/46/1059485046.db2.gz CTRLKNUSCHUJKY-IRXDYDNUSA-N 1 0 369.824 2.730 20 5 FFBDRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000848350283 1059835341 /nfs/dbraw/zinc/83/53/41/1059835341.db2.gz PKPHJIKXXXAMEX-HKUYNNGSSA-N 1 0 372.469 2.942 20 5 FFBDRO COc1cccc(C(=O)N2CCC([C@H]3CCC[NH2+]CC3)CC2)c1[N+](=O)[O-] ZINC001355065348 1059849879 /nfs/dbraw/zinc/84/98/79/1059849879.db2.gz KHKKKZKBTKCLMD-AWEZNQCLSA-N 1 0 361.442 2.845 20 5 FFBDRO CCC[N@@H+]1CCC[C@@H](C(=O)NCCCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC001455683232 1059867908 /nfs/dbraw/zinc/86/79/08/1059867908.db2.gz WHAMGSQRPAQELX-CQSZACIVSA-N 1 0 373.457 2.642 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)Nc2ccc(N3CCC[N@@H+](C)CC3)cc2)n1 ZINC001516241763 1060013277 /nfs/dbraw/zinc/01/32/77/1060013277.db2.gz RHGJGDLTALFOOS-UHFFFAOYSA-N 1 0 369.425 2.692 20 5 FFBDRO C[N@H+](CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O)C1Cc2ccccc2C1 ZINC000848475478 1060095341 /nfs/dbraw/zinc/09/53/41/1060095341.db2.gz PMCUVRUMTVIOFG-HXUWFJFHSA-N 1 0 365.433 2.967 20 5 FFBDRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)OC ZINC001547424760 1071955557 /nfs/dbraw/zinc/95/55/57/1071955557.db2.gz SPPCIZRBEAMJHN-ZDUSSCGKSA-N 1 0 362.434 2.581 20 5 FFBDRO O=C1O[C@H](C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CN1C1CC1 ZINC000848570921 1060294072 /nfs/dbraw/zinc/29/40/72/1060294072.db2.gz NTSRRFRAJQSJTK-KBRIMQKVSA-N 1 0 359.426 2.879 20 5 FFBDRO CC(C)(O)C[NH+]1CCN(c2c3cc(Cl)ccc3ncc2[N+](=O)[O-])CC1 ZINC001458146151 1060524712 /nfs/dbraw/zinc/52/47/12/1060524712.db2.gz KSVAQOLVSIAEKI-UHFFFAOYSA-N 1 0 364.833 2.689 20 5 FFBDRO O=C(c1cnc(CC2CC[NH2+]CC2)s1)N1CCc2c1cccc2[N+](=O)[O-] ZINC001521346046 1060548939 /nfs/dbraw/zinc/54/89/39/1060548939.db2.gz MCCXMLAFGVEXIA-UHFFFAOYSA-N 1 0 372.450 2.796 20 5 FFBDRO Cc1cc(N[C@H]2C[C@@H]([NH+](C)C)C2(C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001458449165 1060592420 /nfs/dbraw/zinc/59/24/20/1060592420.db2.gz CFMROGJPEHIIIG-JKSUJKDBSA-N 1 0 355.442 2.923 20 5 FFBDRO CCC1([NH+](C)C)CCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC001460577441 1061019959 /nfs/dbraw/zinc/01/99/59/1061019959.db2.gz LXEXTRGKBWVPPP-UHFFFAOYSA-N 1 0 368.865 2.993 20 5 FFBDRO COc1ccc(NC(=O)C[NH2+][C@H](c2ccncc2)C2CC2)c([N+](=O)[O-])c1 ZINC001460908527 1061145959 /nfs/dbraw/zinc/14/59/59/1061145959.db2.gz GCEQDXHFWGLXNA-SFHVURJKSA-N 1 0 356.382 2.678 20 5 FFBDRO COc1ccc(CC[NH2+]Cc2cc(OC)c(O)cc2[N+](=O)[O-])cc1OC ZINC001461001477 1061183182 /nfs/dbraw/zinc/18/31/82/1061183182.db2.gz VRTVFLWILJWUQA-UHFFFAOYSA-N 1 0 362.382 2.659 20 5 FFBDRO COc1ccc(C[NH2+]Cc2cn(C)nc2-c2cccnc2)cc1[N+](=O)[O-] ZINC001461174938 1061235880 /nfs/dbraw/zinc/23/58/80/1061235880.db2.gz PSMFPXGMONSDJA-UHFFFAOYSA-N 1 0 353.382 2.689 20 5 FFBDRO C[C@@H]1C[N@H+](C)[C@H](C)[C@@H](C)N1C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC001461267014 1061272621 /nfs/dbraw/zinc/27/26/21/1061272621.db2.gz FKZWNYNJEPOVJD-JHJVBQTASA-N 1 0 369.849 2.957 20 5 FFBDRO O=C(CCc1cc(F)ccc1[N+](=O)[O-])N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC001521932620 1061273724 /nfs/dbraw/zinc/27/37/24/1061273724.db2.gz WOVJVCWITHCYFM-INIZCTEOSA-N 1 0 363.433 2.905 20 5 FFBDRO CC(C)Cc1nnc(N(C)Cc2ccccc2[N+](=O)[O-])n1C[C@@H](C)[NH+](C)C ZINC001359781386 1061763186 /nfs/dbraw/zinc/76/31/86/1061763186.db2.gz GJGVQYMBWIXGBE-OAHLLOKOSA-N 1 0 374.489 2.971 20 5 FFBDRO CCc1cc(NC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)nc(C)n1 ZINC001435164677 1062407223 /nfs/dbraw/zinc/40/72/23/1062407223.db2.gz BFPGQKQGPBZVQH-UHFFFAOYSA-N 1 0 352.354 2.694 20 5 FFBDRO O=C(N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1csc([N+](=O)[O-])c1 ZINC001523539075 1062511871 /nfs/dbraw/zinc/51/18/71/1062511871.db2.gz YMGJHLJSKDZJKK-DYVFJYSZSA-N 1 0 359.407 2.642 20 5 FFBDRO CCC[NH+]1CCC(CNC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)CC1 ZINC001464739936 1062794097 /nfs/dbraw/zinc/79/40/97/1062794097.db2.gz BRRSCMZQKFTLPB-UHFFFAOYSA-N 1 0 372.828 2.821 20 5 FFBDRO CC[NH+](CC)CC[C@H](C)NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC001464865580 1062881195 /nfs/dbraw/zinc/88/11/95/1062881195.db2.gz MZUAGUYAIARUQV-NSHDSACASA-N 1 0 363.867 2.647 20 5 FFBDRO CCNc1ccc(C(=O)N2CCN(c3cc[nH+]cc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC001439382040 1063146629 /nfs/dbraw/zinc/14/66/29/1063146629.db2.gz LQHMNPHYEOMXNQ-CQSZACIVSA-N 1 0 369.425 2.773 20 5 FFBDRO CC1(C)CCC(C[NH2+]CC2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCCC2)CC1 ZINC001495160334 1063452117 /nfs/dbraw/zinc/45/21/17/1063452117.db2.gz FTOHVZPOTRXQIS-HZPDHXFCSA-N 1 0 351.491 2.887 20 5 FFBDRO COc1ccc(NC(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)c([N+](=O)[O-])c1 ZINC001467070856 1063629333 /nfs/dbraw/zinc/62/93/33/1063629333.db2.gz OOMILAWGFOLRDT-UHFFFAOYSA-N 1 0 374.401 2.711 20 5 FFBDRO CC[NH+](CC)CC[C@@H](C)NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC001471614890 1064733630 /nfs/dbraw/zinc/73/36/30/1064733630.db2.gz VOVICIZTFVSCGR-OAHLLOKOSA-N 1 0 350.463 2.899 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN(CCO)[C@@H](C)c1ccccc1 ZINC001473293747 1065236599 /nfs/dbraw/zinc/23/65/99/1065236599.db2.gz YRAUETLPMLCHCC-AWEZNQCLSA-N 1 0 373.409 2.597 20 5 FFBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CCc1ccc2c(c1)OCO2 ZINC001473802696 1065369112 /nfs/dbraw/zinc/36/91/12/1065369112.db2.gz UTLVBGQBLLONRP-UHFFFAOYSA-N 1 0 371.393 2.827 20 5 FFBDRO Cc1c(NC(=O)CC[N@@H+]2CC[C@@H](c3cnccn3)C2)cccc1[N+](=O)[O-] ZINC001473833573 1065383338 /nfs/dbraw/zinc/38/33/38/1065383338.db2.gz MCTCTDAMAVBFEZ-CQSZACIVSA-N 1 0 355.398 2.511 20 5 FFBDRO Cc1ccc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)c(C)c1Br ZINC001474054547 1065446809 /nfs/dbraw/zinc/44/68/09/1065446809.db2.gz IUWMUSBCWPQRPY-UHFFFAOYSA-N 1 0 353.220 2.960 20 5 FFBDRO CCC[C@H](C[NH+]1CCN(c2ccc([N+](=O)[O-])c(OCC)c2)CC1)OC ZINC001474492090 1065535477 /nfs/dbraw/zinc/53/54/77/1065535477.db2.gz WNMKDKNDIPDSID-MRXNPFEDSA-N 1 0 351.447 2.931 20 5 FFBDRO COc1c(O)ccc(C[NH2+][C@@](C)(CO)Cc2ccccc2F)c1[N+](=O)[O-] ZINC001474651921 1065569709 /nfs/dbraw/zinc/56/97/09/1065569709.db2.gz DRHQWTMMAJBUAB-GOSISDBHSA-N 1 0 364.373 2.531 20 5 FFBDRO C[C@](CO)(Cc1ccccc1F)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC001474653055 1065571534 /nfs/dbraw/zinc/57/15/34/1065571534.db2.gz YIAYAQYIGFEGII-GOSISDBHSA-N 1 0 359.357 2.958 20 5 FFBDRO Cc1cc(S(=O)(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)c(C)cc1[N+](=O)[O-] ZINC001474834555 1065620414 /nfs/dbraw/zinc/62/04/14/1065620414.db2.gz NENKCEXUSSJMJW-WFASDCNBSA-N 1 0 369.487 2.610 20 5 FFBDRO C[C@H]1[NH2+]CC[C@@H]1NC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC001576592689 1078246647 /nfs/dbraw/zinc/24/66/47/1078246647.db2.gz RPBHCQCQTNOZEU-KQTLUZQSSA-N 1 0 360.458 2.557 20 5 FFBDRO C[C@H]1CN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC2(CC[NH2+]CC2)O1 ZINC001576812789 1078277322 /nfs/dbraw/zinc/27/73/22/1078277322.db2.gz OXICTTFWYAQZMB-NSHDSACASA-N 1 0 359.348 2.961 20 5 FFBDRO CC[C@H]([NH3+])Cn1c(C(C)C)nnc1N(C)CCc1cccc([N+](=O)[O-])c1 ZINC001577133628 1078307856 /nfs/dbraw/zinc/30/78/56/1078307856.db2.gz ASOOHRAAVJRDKY-HNNXBMFYSA-N 1 0 360.462 2.726 20 5 FFBDRO C[NH2+][C@H](CNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)Cc1ccccc1 ZINC001578590433 1078496216 /nfs/dbraw/zinc/49/62/16/1078496216.db2.gz SUYWEOGIVQXWLG-ZFWWWQNUSA-N 1 0 359.401 2.784 20 5 FFBDRO C[NH2+][C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC2(C)CC2)C1 ZINC001578610006 1078501862 /nfs/dbraw/zinc/50/18/62/1078501862.db2.gz DFZITBYENXNIDW-HNNXBMFYSA-N 1 0 370.457 2.842 20 5 FFBDRO C[NH2+]CC[C@H]1CCCCN1C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC001578675913 1078516052 /nfs/dbraw/zinc/51/60/52/1078516052.db2.gz WBAAGFUUPKGMNA-SECBINFHSA-N 1 0 358.801 2.574 20 5 FFBDRO C[NH2+]CCOc1cccc(C(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])c1 ZINC001578712663 1078520602 /nfs/dbraw/zinc/52/06/02/1078520602.db2.gz LGTKDUKCPSCHJG-UHFFFAOYSA-N 1 0 357.410 2.858 20 5 FFBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H](C[NH3+])CC(C)C ZINC001579515883 1078638323 /nfs/dbraw/zinc/63/83/23/1078638323.db2.gz DBVZKRGJZMCZTL-JTQLQIEISA-N 1 0 358.236 2.769 20 5 FFBDRO [NH3+]C[C@H](C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCCCCC1 ZINC001580215681 1078766949 /nfs/dbraw/zinc/76/69/49/1078766949.db2.gz OFDLBAJTZNOBSY-AWEZNQCLSA-N 1 0 359.430 2.633 20 5 FFBDRO [NH3+]Cc1ccc2c(c1)N(C(=O)c1c[nH]c3cc([N+](=O)[O-])ccc13)CCO2 ZINC001580340316 1078788578 /nfs/dbraw/zinc/78/85/78/1078788578.db2.gz ULKCMHKZNMFPDI-UHFFFAOYSA-N 1 0 352.350 2.574 20 5 FFBDRO [NH3+][C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001580408867 1078799245 /nfs/dbraw/zinc/79/92/45/1078799245.db2.gz GVPRARDDFMTIAA-MRXNPFEDSA-N 1 0 350.378 2.535 20 5 FFBDRO Nc1c(C(=O)N2CCC[C@@H]3C[NH2+]CC[C@H]32)cc2ccccc2c1[N+](=O)[O-] ZINC001580431553 1078801851 /nfs/dbraw/zinc/80/18/51/1078801851.db2.gz LIWAFBLGBNYBNQ-CZUORRHYSA-N 1 0 354.410 2.544 20 5 FFBDRO O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001580745741 1078853454 /nfs/dbraw/zinc/85/34/54/1078853454.db2.gz WNXOOAPJWYGQET-FUMNGEBKSA-N 1 0 365.433 2.960 20 5 FFBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 ZINC001556870293 1075783240 /nfs/dbraw/zinc/78/32/40/1075783240.db2.gz NBHQHYOYGHQXRC-HNNXBMFYSA-N 1 0 373.457 2.690 20 5 FFBDRO Nc1c(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc2ccccc2c1[N+](=O)[O-] ZINC001585629530 1079482283 /nfs/dbraw/zinc/48/22/83/1079482283.db2.gz XCSLMYUZUBDOIK-UONOGXRCSA-N 1 0 354.410 2.687 20 5 FFBDRO C[NH+]1C[C@]2(C)CN(C(=O)C3(c4ccc([N+](=O)[O-])cc4)CCC3)C[C@@]2(C)C1 ZINC001557740848 1075882697 /nfs/dbraw/zinc/88/26/97/1075882697.db2.gz CVPYQSZHNXMPHO-RTBURBONSA-N 1 0 357.454 2.817 20 5 FFBDRO O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001557871515 1075903638 /nfs/dbraw/zinc/90/36/38/1075903638.db2.gz TYGCPEGJDNIMIH-AWEZNQCLSA-N 1 0 359.813 2.905 20 5 FFBDRO CN(CCC[NH+](C)C)CCNc1c2cccc(Cl)c2ncc1[N+](=O)[O-] ZINC001559233244 1076137765 /nfs/dbraw/zinc/13/77/65/1076137765.db2.gz MCFPHNZRJTXXNW-UHFFFAOYSA-N 1 0 365.865 2.514 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CCC(C)([NH+](C)C)CC1 ZINC001559258632 1076140796 /nfs/dbraw/zinc/14/07/96/1076140796.db2.gz MYBYJJYVLWBNHT-UHFFFAOYSA-N 1 0 355.822 2.955 20 5 FFBDRO Nc1nc(N2CCC(c3ccccc3)([NH+]3CCCC3)CC2)ncc1[N+](=O)[O-] ZINC001559291043 1076146607 /nfs/dbraw/zinc/14/66/07/1076146607.db2.gz OYSBYYNQZDVJEB-UHFFFAOYSA-N 1 0 368.441 2.559 20 5 FFBDRO CC(C)CC[N@H+](CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC001559482279 1076165721 /nfs/dbraw/zinc/16/57/21/1076165721.db2.gz YJQAAAFRIAVTJB-UHFFFAOYSA-N 1 0 374.485 2.754 20 5 FFBDRO CC(C)[C@@H](CC[N@H+](C)CCn1ccc([N+](=O)[O-])n1)NC(=O)OC(C)(C)C ZINC001559571164 1076174351 /nfs/dbraw/zinc/17/43/51/1076174351.db2.gz MKXOVQXBMKCUSN-CQSZACIVSA-N 1 0 369.466 2.663 20 5 FFBDRO C[N@@H+]1CC[C@@H]2CN(Cc3ccc([N+](=O)[O-])cc3Br)CC[C@H]21 ZINC001560077493 1076222516 /nfs/dbraw/zinc/22/25/16/1076222516.db2.gz ODUGDNFBXCDJTP-IUODEOHRSA-N 1 0 354.248 2.883 20 5 FFBDRO C[N@@H+]1CC[C@H]2CN(Cc3cc([N+](=O)[O-])ccc3Br)CC[C@@H]21 ZINC001560077422 1076222597 /nfs/dbraw/zinc/22/25/97/1076222597.db2.gz KRUCUCPVRVOOQV-NHYWBVRUSA-N 1 0 354.248 2.883 20 5 FFBDRO CC[C@@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)[C@H]1CCCOC1 ZINC001560097568 1076226280 /nfs/dbraw/zinc/22/62/80/1076226280.db2.gz HTRKKXRDBDNNEV-DZGCQCFKSA-N 1 0 365.430 2.727 20 5 FFBDRO COc1ccccc1C[C@@](C)(CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1OC ZINC001560102521 1076226943 /nfs/dbraw/zinc/22/69/43/1076226943.db2.gz QIBQLFXINZVTHC-IBGZPJMESA-N 1 0 360.410 2.695 20 5 FFBDRO COC(=O)C[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C(C)(C)C ZINC001560172591 1076241586 /nfs/dbraw/zinc/24/15/86/1076241586.db2.gz ATAMCZLCEQMBST-ZDUSSCGKSA-N 1 0 371.821 2.754 20 5 FFBDRO O=C(NCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccco1 ZINC001560256284 1076257057 /nfs/dbraw/zinc/25/70/57/1076257057.db2.gz JABDTAYMQRZOBG-UHFFFAOYSA-N 1 0 355.350 2.967 20 5 FFBDRO COc1ccc(OCCC[NH2+]Cc2cc(OC)c(O)cc2[N+](=O)[O-])cc1 ZINC001560287614 1076260137 /nfs/dbraw/zinc/26/01/37/1076260137.db2.gz MSFHHSNDYLBCJD-UHFFFAOYSA-N 1 0 362.382 2.876 20 5 FFBDRO COCC[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1)NC(=O)OC(C)(C)C ZINC001560283065 1076260361 /nfs/dbraw/zinc/26/03/61/1076260361.db2.gz VZWGHNCYOTVCDO-CQSZACIVSA-N 1 0 353.419 2.614 20 5 FFBDRO Cc1ccc(CN2CC[C@H]([NH2+]CCc3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC001560799232 1076300467 /nfs/dbraw/zinc/30/04/67/1076300467.db2.gz ZCVLRBAEGSITGN-IBGZPJMESA-N 1 0 353.422 2.836 20 5 FFBDRO CC(C)[C@@H]1C[C@H]([NH+]2CCCC2)CN1S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC001562011605 1076465877 /nfs/dbraw/zinc/46/58/77/1076465877.db2.gz XPMQIXWLQSEZJA-JSGCOSHPSA-N 1 0 373.500 2.540 20 5 FFBDRO Nc1c(Cl)cc(C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)cc1[N+](=O)[O-] ZINC001566156248 1076926720 /nfs/dbraw/zinc/92/67/20/1076926720.db2.gz PBIWKWBJJOVVTJ-ZDUSSCGKSA-N 1 0 366.849 2.825 20 5 FFBDRO CC1([NH+]2CCCC2)CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC001586689762 1079669032 /nfs/dbraw/zinc/66/90/32/1079669032.db2.gz ZZDDXXCTFFWOAU-UHFFFAOYSA-N 1 0 362.386 2.594 20 5 FFBDRO C[C@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC001586693107 1079669102 /nfs/dbraw/zinc/66/91/02/1079669102.db2.gz JQFJSSNLHZBXJG-JSGCOSHPSA-N 1 0 363.414 2.658 20 5 FFBDRO Cc1cc(C(=O)N2CC3(C2)C[NH+](Cc2ccccc2)C3)cc([N+](=O)[O-])c1 ZINC001587223797 1079757062 /nfs/dbraw/zinc/75/70/62/1079757062.db2.gz VLMHKGOBGJBLRJ-UHFFFAOYSA-N 1 0 351.406 2.861 20 5 FFBDRO C[C@H](Nc1cc(-c2nn[nH]n2)ccc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001589978293 1080916230 /nfs/dbraw/zinc/91/62/30/1080916230.db2.gz MCVLCTFSSBJPEB-GXTWGEPZSA-N 1 0 371.445 2.840 20 5 FFBDRO CC1([NH+]2CCCC2)CCC(Nc2cccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 ZINC001590142090 1081046049 /nfs/dbraw/zinc/04/60/49/1081046049.db2.gz UXWYPLNGWUYCEO-UHFFFAOYSA-N 1 0 371.445 2.984 20 5 FFBDRO C[C@@]1([NH2+]Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])CCOc2ccccc21 ZINC001590146637 1081049695 /nfs/dbraw/zinc/04/96/95/1081049695.db2.gz HAXXNEYBFCLJEK-GOSISDBHSA-N 1 0 366.381 2.562 20 5 FFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000377088843 512118264 /nfs/dbraw/zinc/11/82/64/512118264.db2.gz AOTKPGYOCGNEIR-KBXCAEBGSA-N 1 0 354.410 2.691 20 5 FFBDRO O=C(c1cc(N2CC[C@H]([NH+]3CCCC3)C2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000110630580 203871084 /nfs/dbraw/zinc/87/10/84/203871084.db2.gz TZODPXDYVPCQRE-INIZCTEOSA-N 1 0 358.442 2.505 20 5 FFBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[NH+](CCC(C)(C)C)CC1 ZINC000055935834 205225542 /nfs/dbraw/zinc/22/55/42/205225542.db2.gz XYYDOLFBHPDQDD-OAHLLOKOSA-N 1 0 362.474 2.976 20 5 FFBDRO CCC[NH+]1CCC(NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000065043108 205315624 /nfs/dbraw/zinc/31/56/24/205315624.db2.gz LRRDABPLKIUICU-UHFFFAOYSA-N 1 0 371.441 2.600 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCn2cccc2[C@H]1C ZINC000026264505 249341419 /nfs/dbraw/zinc/34/14/19/249341419.db2.gz AFIXYEBPUQYILP-CYBMUJFWSA-N 1 0 358.398 2.810 20 5 FFBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NCC[NH+](C(C)C)C(C)C)cc1OC ZINC000023179776 249333111 /nfs/dbraw/zinc/33/31/11/249333111.db2.gz MQDGKOOZHUEMTO-UHFFFAOYSA-N 1 0 367.446 2.851 20 5 FFBDRO C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Cl)cc1Cl ZINC000097454436 250065584 /nfs/dbraw/zinc/06/55/84/250065584.db2.gz ZZLXRRCHYIRZMB-CABZTGNLSA-N 1 0 359.213 2.810 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000093907165 250049951 /nfs/dbraw/zinc/04/99/51/250049951.db2.gz DVEZCVFXPLQWDZ-INIZCTEOSA-N 1 0 363.458 2.607 20 5 FFBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000105327891 250210267 /nfs/dbraw/zinc/21/02/67/250210267.db2.gz WLNAFGVNSSLCKC-AWEZNQCLSA-N 1 0 360.439 2.885 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)c(Cl)c1 ZINC000106891455 250297010 /nfs/dbraw/zinc/29/70/10/250297010.db2.gz KMNCGBLZVOKQAA-LLVKDONJSA-N 1 0 373.862 2.543 20 5 FFBDRO O=[N+]([O-])c1ccc(OCCC[NH+]2CCC(OC[C@H]3CCOC3)CC2)cc1 ZINC000131787425 251020612 /nfs/dbraw/zinc/02/06/12/251020612.db2.gz MXGYQRLRRIOGSR-INIZCTEOSA-N 1 0 364.442 2.881 20 5 FFBDRO COc1cc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)ccc1[N+](=O)[O-] ZINC000153326557 251125383 /nfs/dbraw/zinc/12/53/83/251125383.db2.gz UGCUCPJIVDHMLR-HOCLYGCPSA-N 1 0 359.426 2.692 20 5 FFBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccc(Br)cc1 ZINC000181109464 251242944 /nfs/dbraw/zinc/24/29/44/251242944.db2.gz ZOGDSNHYGXESKG-NSHDSACASA-N 1 0 366.215 2.870 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])c(NCC2([NH+](C)C)CCOCC2)cc1Cl ZINC000268795737 251386673 /nfs/dbraw/zinc/38/66/73/251386673.db2.gz HRHPOBJHFWYETJ-UHFFFAOYSA-N 1 0 371.821 2.558 20 5 FFBDRO CC(=O)c1ccc(OC[C@H](O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000271719642 251860995 /nfs/dbraw/zinc/86/09/95/251860995.db2.gz XNLLLXVCXFTWAL-FZKQIMNGSA-N 1 0 358.394 2.888 20 5 FFBDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC000272310243 252007039 /nfs/dbraw/zinc/00/70/39/252007039.db2.gz RUVKVDBPHMMJSD-IVSAIRAKSA-N 1 0 374.485 2.886 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)C[C@H](O)COCCOC(C)C ZINC000272283973 252000076 /nfs/dbraw/zinc/00/00/76/252000076.db2.gz FUQFVNRXNGFUSA-RDJZCZTQSA-N 1 0 354.447 2.699 20 5 FFBDRO C[C@H](C1CC[NH+](C)CC1)N(C)c1ncc([N+](=O)[O-])cc1Br ZINC000272601908 252077681 /nfs/dbraw/zinc/07/76/81/252077681.db2.gz XXIYCVSJOOXLQA-SNVBAGLBSA-N 1 0 357.252 2.919 20 5 FFBDRO Cn1cc(CN2CC[C@H]3CC[N@H+](C)C[C@H]32)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000272625530 252084946 /nfs/dbraw/zinc/08/49/46/252084946.db2.gz MKHXDKGSVHEZJN-RDTXWAMCSA-N 1 0 355.442 2.521 20 5 FFBDRO COc1ccc(NC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000272839424 252145101 /nfs/dbraw/zinc/14/51/01/252145101.db2.gz OFYRIOAQWSGLCD-AWEZNQCLSA-N 1 0 350.419 2.942 20 5 FFBDRO CC(C)N1CCc2nc(NC(=O)Cc3ccccc3[N+](=O)[O-])sc2C1 ZINC000273049243 252200978 /nfs/dbraw/zinc/20/09/78/252200978.db2.gz QRDVDBGLGWULRW-UHFFFAOYSA-N 1 0 360.439 2.999 20 5 FFBDRO CC(C)C[N@@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000276340533 256091507 /nfs/dbraw/zinc/09/15/07/256091507.db2.gz SGKGHZYEOJULGB-CQSZACIVSA-N 1 0 369.487 2.778 20 5 FFBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3Br)[C@H]2C1 ZINC000277262021 256177808 /nfs/dbraw/zinc/17/78/08/256177808.db2.gz LMAHMWCHWYPUNE-MFKMUULPSA-N 1 0 368.231 2.524 20 5 FFBDRO Cc1c(C(=O)N2CCC[C@H]([NH+](C)C)CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000277141896 256164949 /nfs/dbraw/zinc/16/49/49/256164949.db2.gz HTKDXWGSNDYPEP-ZDUSSCGKSA-N 1 0 364.402 2.676 20 5 FFBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC[C@H]([NH+](C)C)CC1 ZINC000277184647 256169852 /nfs/dbraw/zinc/16/98/52/256169852.db2.gz LMHOWJBBAJUVKQ-STQMWFEESA-N 1 0 368.865 2.991 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000277278312 256179934 /nfs/dbraw/zinc/17/99/34/256179934.db2.gz BBLKLQCEJXVCLZ-CQSZACIVSA-N 1 0 364.446 2.834 20 5 FFBDRO C[N@H+]1C[C@H]2CN(c3cc(C(F)(F)C(F)(F)F)ncc3[N+](=O)[O-])C[C@H]2C1 ZINC000278804832 256349783 /nfs/dbraw/zinc/34/97/83/256349783.db2.gz RNULFIISLMGDCC-DTORHVGOSA-N 1 0 366.290 2.642 20 5 FFBDRO CCS[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000286009291 257015778 /nfs/dbraw/zinc/01/57/78/257015778.db2.gz GVCSRIQPRUCGOW-UKRRQHHQSA-N 1 0 353.444 2.806 20 5 FFBDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000286597367 257044973 /nfs/dbraw/zinc/04/49/73/257044973.db2.gz QWENXVPZSBEMTG-VNIGLLLESA-N 1 0 359.426 2.587 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000286791237 257055362 /nfs/dbraw/zinc/05/53/62/257055362.db2.gz IBYGEIJYCJLXIJ-QAPCUYQASA-N 1 0 360.458 2.790 20 5 FFBDRO CC(=O)c1cc(NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)ccc1[N+](=O)[O-] ZINC000286912496 257061616 /nfs/dbraw/zinc/06/16/16/257061616.db2.gz PPOFEFNRGURPNQ-GOSISDBHSA-N 1 0 369.421 2.976 20 5 FFBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC000287142784 257074166 /nfs/dbraw/zinc/07/41/66/257074166.db2.gz SIVLEZYOHVJAEY-HLLBOEOZSA-N 1 0 366.483 2.720 20 5 FFBDRO COCC(C)(C)CCCNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000288185613 257158026 /nfs/dbraw/zinc/15/80/26/257158026.db2.gz NGDVAWGKWYNGLG-UHFFFAOYSA-N 1 0 360.414 2.963 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CCN3CCCOCC3)cs2)c1 ZINC000289413353 257279821 /nfs/dbraw/zinc/27/98/21/257279821.db2.gz IEBLMDBTBLPLOT-UHFFFAOYSA-N 1 0 362.455 2.530 20 5 FFBDRO COc1ccc(C[C@@](C)(O)C[NH2+]Cc2ccccc2[N+](=O)[O-])cc1OC ZINC000289838203 257302280 /nfs/dbraw/zinc/30/22/80/257302280.db2.gz OSSKBPCEJSAUPU-LJQANCHMSA-N 1 0 360.410 2.695 20 5 FFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC1CC[NH+](CCCOC)CC1 ZINC000289888982 257304867 /nfs/dbraw/zinc/30/48/67/257304867.db2.gz SWYWQSAZLOYJMH-UHFFFAOYSA-N 1 0 364.446 2.780 20 5 FFBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000294782031 257602533 /nfs/dbraw/zinc/60/25/33/257602533.db2.gz AYUGPMYGBLAZCC-LBPRGKRZSA-N 1 0 353.394 2.546 20 5 FFBDRO CN(CCC[NH+]1CCCC1)C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000299010225 257956353 /nfs/dbraw/zinc/95/63/53/257956353.db2.gz QRJFHEWRQQRHMJ-UHFFFAOYSA-N 1 0 370.247 2.915 20 5 FFBDRO Cc1c(CO)cc([N+](=O)[O-])c(NCC[N@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000301075348 258023229 /nfs/dbraw/zinc/02/32/29/258023229.db2.gz GDEXBDKDABDXTP-LLVKDONJSA-N 1 0 352.391 2.590 20 5 FFBDRO NC(=O)c1cc([N+](=O)[O-])cnc1NC1CC[NH+](CC2CCCCC2)CC1 ZINC000301115226 258026317 /nfs/dbraw/zinc/02/63/17/258026317.db2.gz UBDZYDICPYXFRK-UHFFFAOYSA-N 1 0 361.446 2.545 20 5 FFBDRO Cc1nn(C)c(NCc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000301287973 258040078 /nfs/dbraw/zinc/04/00/78/258040078.db2.gz PBYZLMPMXCINGM-OKILXGFUSA-N 1 0 373.457 2.858 20 5 FFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000302151069 258091084 /nfs/dbraw/zinc/09/10/84/258091084.db2.gz BOIIIVQNUUNRFL-UKRRQHHQSA-N 1 0 352.398 2.570 20 5 FFBDRO C[C@@H]1CN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC000302480142 258103335 /nfs/dbraw/zinc/10/33/35/258103335.db2.gz GJYYEGBJRVHUBO-LLVKDONJSA-N 1 0 361.364 2.895 20 5 FFBDRO C[C@H]1C[C@H](C)C[NH+](CCCNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000302675416 258107705 /nfs/dbraw/zinc/10/77/05/258107705.db2.gz UDKKXVDKVIBOLG-KBPBESRZSA-N 1 0 369.487 2.778 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000301594784 258057848 /nfs/dbraw/zinc/05/78/48/258057848.db2.gz RQVRKYPHLUYFMR-WDEREUQCSA-N 1 0 366.374 2.574 20 5 FFBDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000302012229 258081577 /nfs/dbraw/zinc/08/15/77/258081577.db2.gz WUYJVVKFCZPNTM-MRXNPFEDSA-N 1 0 366.425 2.596 20 5 FFBDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000302027091 258082663 /nfs/dbraw/zinc/08/26/63/258082663.db2.gz HDXAWDXUYXMICH-GJZGRUSLSA-N 1 0 358.446 2.728 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC000330691304 258168578 /nfs/dbraw/zinc/16/85/78/258168578.db2.gz BCWRWYNUVGNVTC-WBVHZDCISA-N 1 0 363.458 2.961 20 5 FFBDRO CCC[NH+]1CCC(CNS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)CC1 ZINC000330764223 258170099 /nfs/dbraw/zinc/17/00/99/258170099.db2.gz RHQQYOGJXBGTLZ-UHFFFAOYSA-N 1 0 369.487 2.612 20 5 FFBDRO C[C@@H]1C[C@H](NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000330836935 258171552 /nfs/dbraw/zinc/17/15/52/258171552.db2.gz TWHIDYZCBKOKAP-ZYHUDNBSSA-N 1 0 357.863 2.939 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)cc1SC ZINC000331138719 258178026 /nfs/dbraw/zinc/17/80/26/258178026.db2.gz LIRNKPLSSZTQDK-AWEZNQCLSA-N 1 0 367.471 2.738 20 5 FFBDRO CC(C)c1n[nH]c(C(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000331212508 258179667 /nfs/dbraw/zinc/17/96/67/258179667.db2.gz KFKYEFNLAOQMJN-JHJVBQTASA-N 1 0 351.451 2.538 20 5 FFBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000331973200 258208275 /nfs/dbraw/zinc/20/82/75/258208275.db2.gz SROKMVAHTWEEME-INIZCTEOSA-N 1 0 360.458 2.799 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@H]2CCCC[N@H+]2C[C@H]1C ZINC000332007016 258209638 /nfs/dbraw/zinc/20/96/38/258209638.db2.gz JJQONTLPJIUVJF-NVXWUHKLSA-N 1 0 360.458 2.790 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000332529498 258233940 /nfs/dbraw/zinc/23/39/40/258233940.db2.gz GQTRXPFLSDOYRZ-DOTOQJQBSA-N 1 0 362.430 2.653 20 5 FFBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000331721240 258197916 /nfs/dbraw/zinc/19/79/16/258197916.db2.gz SRKRZLNUWJEYBO-AWEZNQCLSA-N 1 0 358.442 2.738 20 5 FFBDRO O=[N+]([O-])c1ccc(CC[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000026717671 136153200 /nfs/dbraw/zinc/15/32/00/136153200.db2.gz ZBQFJLZUDUBCNK-UHFFFAOYSA-N 1 0 356.382 2.868 20 5 FFBDRO Cn1ccnc1[C@H]1CCCN(c2c(Br)cncc2[N+](=O)[O-])C1 ZINC000373059802 512152883 /nfs/dbraw/zinc/15/28/83/512152883.db2.gz RQGIGUCZTSIZPG-JTQLQIEISA-N 1 0 366.219 2.870 20 5 FFBDRO CCC[C@@H]([NH3+])c1cn(Cc2ccc(Br)cc2[N+](=O)[O-])nn1 ZINC000229958023 509432151 /nfs/dbraw/zinc/43/21/51/509432151.db2.gz CBDJSFMBKZOIJO-LLVKDONJSA-N 1 0 354.208 2.797 20 5 FFBDRO CCOc1ccc(C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000032245618 506235338 /nfs/dbraw/zinc/23/53/38/506235338.db2.gz PHYSDWBVQIDNHH-KRWDZBQOSA-N 1 0 371.437 2.896 20 5 FFBDRO COc1cccc(N2CC[NH+](CCOc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000065208677 506269462 /nfs/dbraw/zinc/26/94/62/506269462.db2.gz NUMHEOHEFOSRPV-UHFFFAOYSA-N 1 0 357.410 2.804 20 5 FFBDRO O=C(CNc1ccccc1[N+](=O)[O-])NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000065858214 506380305 /nfs/dbraw/zinc/38/03/05/506380305.db2.gz WLBZPCYCGSONSO-UHFFFAOYSA-N 1 0 368.437 2.919 20 5 FFBDRO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000369066566 512211186 /nfs/dbraw/zinc/21/11/86/512211186.db2.gz RUBOLJVQMZJRKS-OAHLLOKOSA-N 1 0 369.425 2.527 20 5 FFBDRO C[C@H]1[C@@H](NC(=O)c2cc([O-])ccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000377347244 512226269 /nfs/dbraw/zinc/22/62/69/512226269.db2.gz QVJKBELFWPQPOR-GUYCJALGSA-N 1 0 355.394 2.693 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)CC[N@H+](C)C1CCCCC1 ZINC000065971495 506402804 /nfs/dbraw/zinc/40/28/04/506402804.db2.gz CZGMSKVVKPKMAF-UHFFFAOYSA-N 1 0 369.487 2.788 20 5 FFBDRO COc1cc(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)c([N+](=O)[O-])cc1F ZINC000410484910 512275563 /nfs/dbraw/zinc/27/55/63/512275563.db2.gz RTLKWMODHCTYEN-HNNXBMFYSA-N 1 0 355.410 2.839 20 5 FFBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000371226895 512277958 /nfs/dbraw/zinc/27/79/58/512277958.db2.gz CYONMJNTCGVXEY-QAPCUYQASA-N 1 0 360.458 2.778 20 5 FFBDRO C[N@@H+]1CCCC12CCN(c1ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c1)CC2 ZINC000375345224 512278564 /nfs/dbraw/zinc/27/85/64/512278564.db2.gz MOBNDEKSVOYVAO-UHFFFAOYSA-N 1 0 372.469 2.895 20 5 FFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000054224893 506517885 /nfs/dbraw/zinc/51/78/85/506517885.db2.gz OJGRFUAPHZESPR-GOEBONIOSA-N 1 0 354.410 2.864 20 5 FFBDRO CC[NH+]1CCN(Cc2ccccc2CNc2ncccc2[N+](=O)[O-])CC1 ZINC000041621007 506536810 /nfs/dbraw/zinc/53/68/10/506536810.db2.gz VFTSQHXOAJQLQB-UHFFFAOYSA-N 1 0 355.442 2.739 20 5 FFBDRO C[C@@H](CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)[NH+]1CCC(C)CC1 ZINC000067270546 506811881 /nfs/dbraw/zinc/81/18/81/506811881.db2.gz PPUUZRKCQLGOBQ-HNNXBMFYSA-N 1 0 371.441 2.631 20 5 FFBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000056067417 506923366 /nfs/dbraw/zinc/92/33/66/506923366.db2.gz NKLBFXLIHVXYLD-GASCZTMLSA-N 1 0 369.487 2.631 20 5 FFBDRO COc1cccc(CNC(=O)[C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000056196412 506959389 /nfs/dbraw/zinc/95/93/89/506959389.db2.gz BVKBUSTUIJJHCH-ZIAGYGMSSA-N 1 0 357.410 2.959 20 5 FFBDRO C[NH+](C)[C@@H](CNC(=O)CNc1ccccc1[N+](=O)[O-])c1cccc(F)c1 ZINC000067706376 506983531 /nfs/dbraw/zinc/98/35/31/506983531.db2.gz UCFBUGDBQAQNHN-KRWDZBQOSA-N 1 0 360.389 2.565 20 5 FFBDRO C[NH+](C)[C@H](CNC(=O)NCc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000067722825 506989123 /nfs/dbraw/zinc/98/91/23/506989123.db2.gz WBTBVLSLTRJINX-QGZVFWFLSA-N 1 0 360.389 2.836 20 5 FFBDRO C[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2Cl)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000371305412 512318314 /nfs/dbraw/zinc/31/83/14/512318314.db2.gz YRCVWEZLELBQDW-RDTXWAMCSA-N 1 0 366.893 2.706 20 5 FFBDRO O=C(NC1CC[NH+](Cc2ccccn2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000056889933 507116695 /nfs/dbraw/zinc/11/66/95/507116695.db2.gz HSVQJYVHWRAKPO-UHFFFAOYSA-N 1 0 358.373 2.523 20 5 FFBDRO C[NH+](C)CCOc1cccc(CNC(=O)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000056891451 507117675 /nfs/dbraw/zinc/11/76/75/507117675.db2.gz ONUARUJRHJJRDD-UHFFFAOYSA-N 1 0 361.373 2.604 20 5 FFBDRO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000068133233 507123597 /nfs/dbraw/zinc/12/35/97/507123597.db2.gz GTGNBEMJSWIWOO-CQSZACIVSA-N 1 0 357.414 2.562 20 5 FFBDRO CCOc1ccc([C@@H](C)[NH2+][C@H]2CCN(c3cnn(C)c3)C2)cc1[N+](=O)[O-] ZINC000371313970 512324155 /nfs/dbraw/zinc/32/41/55/512324155.db2.gz PJYIRYOAXSKZCH-HIFRSBDPSA-N 1 0 359.430 2.657 20 5 FFBDRO C[NH+](C)Cc1ccc(CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)cc1 ZINC000068411782 507219383 /nfs/dbraw/zinc/21/93/83/507219383.db2.gz DAYJLARIDSIHII-UHFFFAOYSA-N 1 0 366.421 2.928 20 5 FFBDRO O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000377562399 512327622 /nfs/dbraw/zinc/32/76/22/512327622.db2.gz KZMBMNSURLXMOQ-SFHVURJKSA-N 1 0 372.450 2.934 20 5 FFBDRO CC[NH+](CC)CC1CCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000057847269 507341949 /nfs/dbraw/zinc/34/19/49/507341949.db2.gz UMBPWOUTIJNVCW-HNNXBMFYSA-N 1 0 362.474 2.976 20 5 FFBDRO C[N@H+](CCNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)C1CCCCC1 ZINC000068900680 507354976 /nfs/dbraw/zinc/35/49/76/507354976.db2.gz MWZLZPRDHWWKAU-UHFFFAOYSA-N 1 0 371.441 2.775 20 5 FFBDRO CC[NH+]1CCC(NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000047864654 507402691 /nfs/dbraw/zinc/40/26/91/507402691.db2.gz CPPMNRRCFCFRLB-UHFFFAOYSA-N 1 0 358.345 2.802 20 5 FFBDRO O=C(CC[NH+]1CCN(Cc2ccsc2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000026336604 507578799 /nfs/dbraw/zinc/57/87/99/507578799.db2.gz MNZDYQHCHHYPBR-UHFFFAOYSA-N 1 0 374.466 2.803 20 5 FFBDRO C[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1F ZINC000026713436 507604454 /nfs/dbraw/zinc/60/44/54/507604454.db2.gz MQTQKDSPIDOOMO-SMDDNHRTSA-N 1 0 352.337 2.964 20 5 FFBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)C[NH+]2CCCCC2)cc1OC ZINC000027755920 507681637 /nfs/dbraw/zinc/68/16/37/507681637.db2.gz CEAOGYABVYNNBU-ZDUSSCGKSA-N 1 0 365.430 2.606 20 5 FFBDRO C[NH+](C)[C@H](CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000071862571 507721338 /nfs/dbraw/zinc/72/13/38/507721338.db2.gz ROISKPZMIQUSSF-MRXNPFEDSA-N 1 0 353.382 2.504 20 5 FFBDRO CC1CC[NH+](CCCCNC(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000063645718 507754584 /nfs/dbraw/zinc/75/45/84/507754584.db2.gz NXROIHFMFFMXIS-UHFFFAOYSA-N 1 0 367.421 2.741 20 5 FFBDRO COc1ccc(CN2CC[NH+](CCc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000051375369 507765217 /nfs/dbraw/zinc/76/52/17/507765217.db2.gz GPKMQBHWUIKJPO-UHFFFAOYSA-N 1 0 355.438 2.964 20 5 FFBDRO O=C(COc1ccccc1[N+](=O)[O-])N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000029177283 507766302 /nfs/dbraw/zinc/76/63/02/507766302.db2.gz YBFMVOVXGBTCSM-KRWDZBQOSA-N 1 0 369.421 2.927 20 5 FFBDRO Cc1ccc(C(=O)NCC2([NH+]3CCSCC3)CCCC2)cc1[N+](=O)[O-] ZINC000029367198 507775623 /nfs/dbraw/zinc/77/56/23/507775623.db2.gz ANBKHDHYBJOVID-UHFFFAOYSA-N 1 0 363.483 2.995 20 5 FFBDRO CNC(=O)c1ccc(NC[C@H](c2ccc(C)cc2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000064114110 507784899 /nfs/dbraw/zinc/78/48/99/507784899.db2.gz BPDLDKUQOOXPHZ-GOSISDBHSA-N 1 0 356.426 2.978 20 5 FFBDRO CC(=O)Nc1cccc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000072665055 507840388 /nfs/dbraw/zinc/84/03/88/507840388.db2.gz QRURRDVHZYQUME-MRXNPFEDSA-N 1 0 355.398 2.635 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000072719692 507847330 /nfs/dbraw/zinc/84/73/30/507847330.db2.gz INAQXYNBIBKBFW-MRXNPFEDSA-N 1 0 360.458 2.650 20 5 FFBDRO C[N@@H+]1CCC[C@H](CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000108340217 507888922 /nfs/dbraw/zinc/88/89/22/507888922.db2.gz ZKHITWLDVKQRJE-MRXNPFEDSA-N 1 0 363.461 2.613 20 5 FFBDRO Cc1ccc([C@H](C)NC(=O)Nc2cnn(CC[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000078633919 507891523 /nfs/dbraw/zinc/89/15/23/507891523.db2.gz YJJPNCZLVYNJJB-ZDUSSCGKSA-N 1 0 360.418 2.544 20 5 FFBDRO Cc1ccc([C@H](C)[NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)cc1[N+](=O)[O-] ZINC000090231577 507915980 /nfs/dbraw/zinc/91/59/80/507915980.db2.gz ARIBQVZRKFXPHX-ZDUSSCGKSA-N 1 0 367.471 2.510 20 5 FFBDRO C[N@H+](CCCNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])C1CCCCC1 ZINC000074159183 507992842 /nfs/dbraw/zinc/99/28/42/507992842.db2.gz LQUMAZQZXSRSKP-UHFFFAOYSA-N 1 0 359.430 2.898 20 5 FFBDRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000074321143 508011896 /nfs/dbraw/zinc/01/18/96/508011896.db2.gz CJUAHTVHEHZEJP-MRXNPFEDSA-N 1 0 370.453 2.740 20 5 FFBDRO Nc1nc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)ncc1[N+](=O)[O-] ZINC000110596722 508036074 /nfs/dbraw/zinc/03/60/74/508036074.db2.gz KSZYVVJPBLNGOR-GOOCMWNKSA-N 1 0 354.414 2.575 20 5 FFBDRO O=C1NCCN1[C@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000092188698 508048563 /nfs/dbraw/zinc/04/85/63/508048563.db2.gz OSGKDJDYUMMCKY-AWEZNQCLSA-N 1 0 370.409 2.844 20 5 FFBDRO Cc1cc(N(C)CC[NH+]2CCN(c3ccccc3)CC2)ncc1[N+](=O)[O-] ZINC000074765000 508053150 /nfs/dbraw/zinc/05/31/50/508053150.db2.gz TZZWSARPVJPUAY-UHFFFAOYSA-N 1 0 355.442 2.557 20 5 FFBDRO COc1cc(F)c([N+](=O)[O-])c(NC2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000080644627 508091033 /nfs/dbraw/zinc/09/10/33/508091033.db2.gz WWONEJQCSRIDKY-GFCCVEGCSA-N 1 0 353.394 2.655 20 5 FFBDRO Cc1ccc(CN2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)cc1[N+](=O)[O-] ZINC000092664999 508092154 /nfs/dbraw/zinc/09/21/54/508092154.db2.gz UHXZMDPRMYOJGV-HDICACEKSA-N 1 0 360.502 2.894 20 5 FFBDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000081128770 508141107 /nfs/dbraw/zinc/14/11/07/508141107.db2.gz BTCBUMCFSZEHCP-SFHVURJKSA-N 1 0 369.421 2.707 20 5 FFBDRO COc1ccc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(OC)c1 ZINC000093534204 508147769 /nfs/dbraw/zinc/14/77/69/508147769.db2.gz MZDVABBPVPHMCF-CQSZACIVSA-N 1 0 358.398 2.693 20 5 FFBDRO COc1cc(CN(C)CC[C@H]2CCCC[N@@H+]2C)c([N+](=O)[O-])cc1OC ZINC000093660036 508151484 /nfs/dbraw/zinc/15/14/84/508151484.db2.gz PZHMXOKANRCAEN-OAHLLOKOSA-N 1 0 351.447 2.918 20 5 FFBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000081331448 508163767 /nfs/dbraw/zinc/16/37/67/508163767.db2.gz PPQNBCDBUVBJMX-HNNXBMFYSA-N 1 0 371.441 2.584 20 5 FFBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000081361906 508166990 /nfs/dbraw/zinc/16/69/90/508166990.db2.gz MCICGGSLEZTPSU-MRXNPFEDSA-N 1 0 374.485 2.999 20 5 FFBDRO CCC[N@H+](C)C[C@@H]1CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000081569391 508191679 /nfs/dbraw/zinc/19/16/79/508191679.db2.gz LPKVKOWWGCWCQG-AWEZNQCLSA-N 1 0 359.430 2.809 20 5 FFBDRO CC[C@@H]([NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000112535474 508193888 /nfs/dbraw/zinc/19/38/88/508193888.db2.gz NVCYTRDBQKBRIH-QGZVFWFLSA-N 1 0 363.439 2.614 20 5 FFBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000081633406 508199614 /nfs/dbraw/zinc/19/96/14/508199614.db2.gz MIZFRBOZLUOBJE-GOEBONIOSA-N 1 0 360.458 2.586 20 5 FFBDRO CC(C)(O)CC[NH+]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000081644935 508200871 /nfs/dbraw/zinc/20/08/71/508200871.db2.gz NWLOSRDQUYOAFJ-UHFFFAOYSA-N 1 0 361.364 2.897 20 5 FFBDRO O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000081666831 508203383 /nfs/dbraw/zinc/20/33/83/508203383.db2.gz UOGYJVUEPXHIBM-UHFFFAOYSA-N 1 0 361.442 2.607 20 5 FFBDRO CC(C)[NH+]1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000076634297 508233481 /nfs/dbraw/zinc/23/34/81/508233481.db2.gz WBUFDXAZNGEUJV-UHFFFAOYSA-N 1 0 358.345 2.754 20 5 FFBDRO CC1CC[NH+](Cc2ccccc2CNc2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000076777029 508252672 /nfs/dbraw/zinc/25/26/72/508252672.db2.gz UYOGCPJSQXJSIE-UHFFFAOYSA-N 1 0 356.430 2.811 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCC1CC[NH+](C)CC1 ZINC000102639950 508280030 /nfs/dbraw/zinc/28/00/30/508280030.db2.gz KJLWRLICMVQWDS-GFCCVEGCSA-N 1 0 369.849 2.864 20 5 FFBDRO Cc1c(NC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)cccc1[N+](=O)[O-] ZINC000077182019 508284586 /nfs/dbraw/zinc/28/45/86/508284586.db2.gz CJEJBZBTCXIKIE-CQSZACIVSA-N 1 0 362.430 2.526 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000103450221 508312761 /nfs/dbraw/zinc/31/27/61/508312761.db2.gz BDKNHVWZNBCAIW-GFCCVEGCSA-N 1 0 369.849 2.816 20 5 FFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000103605672 508319073 /nfs/dbraw/zinc/31/90/73/508319073.db2.gz VAFARXHKTGBACI-MRXNPFEDSA-N 1 0 360.458 2.999 20 5 FFBDRO O=C(Nc1cccc(C[NH+]2CCC(O)CC2)c1)c1csc([N+](=O)[O-])c1 ZINC000086239118 508322883 /nfs/dbraw/zinc/32/28/83/508322883.db2.gz MCARLAMNYLMYDF-UHFFFAOYSA-N 1 0 361.423 2.865 20 5 FFBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000115274693 508380316 /nfs/dbraw/zinc/38/03/16/508380316.db2.gz SIQAKKVFOIKCFY-RHSMWYFYSA-N 1 0 363.458 2.770 20 5 FFBDRO COc1cc(C[N@@H+]2CC[C@@H](Nc3ncccc3[N+](=O)[O-])C2)cc(OC)c1 ZINC000088751360 508381893 /nfs/dbraw/zinc/38/18/93/508381893.db2.gz SPAXHJKSNWQSRM-CQSZACIVSA-N 1 0 358.398 2.693 20 5 FFBDRO COc1cc(C[N@@H+]2CC[C@@H](Nc3ccncc3[N+](=O)[O-])C2)cc(OC)c1 ZINC000088751561 508382303 /nfs/dbraw/zinc/38/23/03/508382303.db2.gz PGEPNFUNNCCUTB-CQSZACIVSA-N 1 0 358.398 2.693 20 5 FFBDRO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000106787610 508404504 /nfs/dbraw/zinc/40/45/04/508404504.db2.gz UKQFHYFEZWTSNZ-OAHLLOKOSA-N 1 0 358.442 2.916 20 5 FFBDRO CCCc1n[nH]c(C(=O)N2CC[NH+](C3CCC(C)CC3)CC2)c1[N+](=O)[O-] ZINC000115723845 508431828 /nfs/dbraw/zinc/43/18/28/508431828.db2.gz QPMAXKNEPSMEKL-UHFFFAOYSA-N 1 0 363.462 2.607 20 5 FFBDRO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000127563842 508469370 /nfs/dbraw/zinc/46/93/70/508469370.db2.gz FQAODVWYODWUNY-INIZCTEOSA-N 1 0 372.469 2.753 20 5 FFBDRO Nc1ccc(F)c(NC(=O)CC[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000153300894 508568967 /nfs/dbraw/zinc/56/89/67/508568967.db2.gz UITHJZNVIBJQTR-UHFFFAOYSA-N 1 0 358.373 2.703 20 5 FFBDRO COc1ccc(-c2ccc(C[N@@H+]3CCC[C@@H]3C(=O)N(C)C)o2)c([N+](=O)[O-])c1 ZINC000122685171 508572128 /nfs/dbraw/zinc/57/21/28/508572128.db2.gz LYBQIDKZMIVMGF-MRXNPFEDSA-N 1 0 373.409 2.916 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)CCc1nccs1 ZINC000157544058 508580007 /nfs/dbraw/zinc/58/00/07/508580007.db2.gz SFBWTFXDKZWSMN-UHFFFAOYSA-N 1 0 364.427 2.563 20 5 FFBDRO C[C@@H](Nc1ccc(C(=O)N2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000157749490 508606588 /nfs/dbraw/zinc/60/65/88/508606588.db2.gz DZUCBMLNUIDKCH-HIFRSBDPSA-N 1 0 369.425 2.726 20 5 FFBDRO CSC[C@@H]1CCC[N@@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000135484921 508611551 /nfs/dbraw/zinc/61/15/51/508611551.db2.gz SDNLLFSPTILDPG-ZDUSSCGKSA-N 1 0 351.428 2.720 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N[C@@H]3CCCC[C@H]3[NH3+])cc2[N+](=O)[O-])CC1 ZINC000128845526 508650674 /nfs/dbraw/zinc/65/06/74/508650674.db2.gz ACDPZDQHWSLZQT-HZPDHXFCSA-N 1 0 360.458 2.831 20 5 FFBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc(NS(C)(=O)=O)cc1 ZINC000123219758 508654253 /nfs/dbraw/zinc/65/42/53/508654253.db2.gz VAMICSKJBKCORO-CYBMUJFWSA-N 1 0 363.439 2.860 20 5 FFBDRO Cc1sc(S(=O)(=O)NCC[N@@H+](C)C2CCCCC2)cc1[N+](=O)[O-] ZINC000123376380 508677269 /nfs/dbraw/zinc/67/72/69/508677269.db2.gz KXTSVZCLAPTQKP-UHFFFAOYSA-N 1 0 361.489 2.508 20 5 FFBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3ccc(-n4cccn4)cc3)C2)nc1 ZINC000118866494 508688884 /nfs/dbraw/zinc/68/88/84/508688884.db2.gz LWOUHMXXDLSYNZ-INIZCTEOSA-N 1 0 364.409 2.862 20 5 FFBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000136646523 508705739 /nfs/dbraw/zinc/70/57/39/508705739.db2.gz ROZSPSDEWBKNOY-AWEZNQCLSA-N 1 0 358.442 2.809 20 5 FFBDRO CN(C(=O)CN1CCC(CCC[NH+](C)C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000123579666 508709036 /nfs/dbraw/zinc/70/90/36/508709036.db2.gz YCRPMSSSXPFEJC-UHFFFAOYSA-N 1 0 362.474 2.611 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]1C[C@H](O)c1cnn(C)c1 ZINC000371458234 512413637 /nfs/dbraw/zinc/41/36/37/512413637.db2.gz JXSAAUQJQXIBIB-AEFFLSMTSA-N 1 0 374.441 2.815 20 5 FFBDRO COc1ccc(C(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000137485092 508758546 /nfs/dbraw/zinc/75/85/46/508758546.db2.gz OEGGFTCSDLVUIT-RHSMWYFYSA-N 1 0 369.421 2.996 20 5 FFBDRO C[C@@H]1C[C@H](N(C)C(=O)c2ccc(Br)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000124187929 508794655 /nfs/dbraw/zinc/79/46/55/508794655.db2.gz HEOHYKIAKFFWAO-ZYHUDNBSSA-N 1 0 370.247 2.912 20 5 FFBDRO C[NH+](C)C1(CNc2cc(Br)ccc2[N+](=O)[O-])CCOCC1 ZINC000144846542 508842109 /nfs/dbraw/zinc/84/21/09/508842109.db2.gz QCCIEVQIJCORBH-UHFFFAOYSA-N 1 0 358.236 2.880 20 5 FFBDRO C[NH+](C)CCn1ccc(NCc2cc([N+](=O)[O-])ccc2OC(F)F)n1 ZINC000119746933 508855100 /nfs/dbraw/zinc/85/51/00/508855100.db2.gz RVWWCHGBDOJKBS-UHFFFAOYSA-N 1 0 355.345 2.566 20 5 FFBDRO O=[N+]([O-])c1cc(Br)cnc1N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000130872858 508858965 /nfs/dbraw/zinc/85/89/65/508858965.db2.gz WNWIDMFGNDLLHT-LLVKDONJSA-N 1 0 355.236 2.674 20 5 FFBDRO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CCn2cc([N+](=O)[O-])ccc2=O)c1 ZINC000159731156 508881446 /nfs/dbraw/zinc/88/14/46/508881446.db2.gz RYLFLCDLDVSQKT-KRWDZBQOSA-N 1 0 373.409 2.611 20 5 FFBDRO COc1cc(C[N@H+](C)C[C@H]2CCC[C@@H]2O)c([N+](=O)[O-])cc1OC(F)F ZINC000159869306 508903446 /nfs/dbraw/zinc/90/34/46/508903446.db2.gz ZSFNGCBDQBEYJN-MFKMUULPSA-N 1 0 360.357 2.798 20 5 FFBDRO CC(C)[C@H](C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)N1CCOCC1 ZINC000120035933 508914336 /nfs/dbraw/zinc/91/43/36/508914336.db2.gz MEBMUMBCCWVQBF-QUCCMNQESA-N 1 0 361.486 2.862 20 5 FFBDRO NC(=O)[C@@H]1CCC[C@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000120081954 508924001 /nfs/dbraw/zinc/92/40/01/508924001.db2.gz KOVACGMFHHNFJR-YPMHNXCESA-N 1 0 360.439 2.852 20 5 FFBDRO COCCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1C)Cc1ccccc1 ZINC000120233198 508955289 /nfs/dbraw/zinc/95/52/89/508955289.db2.gz YVJHCDGHZJJXKE-UHFFFAOYSA-N 1 0 357.410 2.990 20 5 FFBDRO C[NH+](C)[C@H](CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)Cc1ccccc1 ZINC000120294273 508966748 /nfs/dbraw/zinc/96/67/48/508966748.db2.gz ZDXBYGBJGSZMAR-INIZCTEOSA-N 1 0 366.421 2.979 20 5 FFBDRO Cc1cccc([C@@H]2CCC[N@@H+]2C[C@H](O)COc2cccc([N+](=O)[O-])c2)n1 ZINC000160461799 508990889 /nfs/dbraw/zinc/99/08/89/508990889.db2.gz BHKXMOHPAVYXME-LPHOPBHVSA-N 1 0 357.410 2.875 20 5 FFBDRO CC[N@H+](C)CCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000132430789 509030766 /nfs/dbraw/zinc/03/07/66/509030766.db2.gz XJRFHQHRCMURQZ-UHFFFAOYSA-N 1 0 364.627 2.692 20 5 FFBDRO C[NH+](C)CCCC1CCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000160838948 509038667 /nfs/dbraw/zinc/03/86/67/509038667.db2.gz JZSDAPGONWMVLB-UHFFFAOYSA-N 1 0 362.474 2.901 20 5 FFBDRO CC1CC[NH+](CCCNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000120960514 509097569 /nfs/dbraw/zinc/09/75/69/509097569.db2.gz DVXJHRIVTQZQES-UHFFFAOYSA-N 1 0 356.426 2.995 20 5 FFBDRO O=[N+]([O-])c1ccc(NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c([N+](=O)[O-])c1 ZINC000132975444 509099104 /nfs/dbraw/zinc/09/91/04/509099104.db2.gz DVRKHSPIPJGNCH-RDJZCZTQSA-N 1 0 364.402 2.683 20 5 FFBDRO C[NH+](C)CCOc1ccc(CNC(=O)c2ccc(F)cc2[N+](=O)[O-])cc1 ZINC000133072771 509112965 /nfs/dbraw/zinc/11/29/65/509112965.db2.gz RJVHBJGRRPWKAH-UHFFFAOYSA-N 1 0 361.373 2.604 20 5 FFBDRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000161479260 509120290 /nfs/dbraw/zinc/12/02/90/509120290.db2.gz UGSUHJOCLXUPLI-CHWSQXEVSA-N 1 0 363.439 2.915 20 5 FFBDRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000161555383 509128493 /nfs/dbraw/zinc/12/84/93/509128493.db2.gz VVNHFVYHTOAJMJ-JTQLQIEISA-N 1 0 368.231 2.571 20 5 FFBDRO O=C(N[C@H]1CC[NH2+]C1)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000126821854 509133809 /nfs/dbraw/zinc/13/38/09/509133809.db2.gz XPZGMQYKSWIBKZ-AWEZNQCLSA-N 1 0 374.828 2.952 20 5 FFBDRO C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)c1ccc([N+](=O)[O-])c3cccnc13)C2 ZINC000156295594 509156412 /nfs/dbraw/zinc/15/64/12/509156412.db2.gz UOELGPPXCJWVSU-AGUYFDCRSA-N 1 0 354.410 2.888 20 5 FFBDRO Cc1cccc(C(=O)N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)c1[N+](=O)[O-] ZINC000162235342 509181121 /nfs/dbraw/zinc/18/11/21/509181121.db2.gz UCIFVFIWLWKTOH-IAGOWNOFSA-N 1 0 374.485 2.534 20 5 FFBDRO O=C(NC1CC[NH+](Cc2ccncc2)CC1)c1cc(F)ccc1[N+](=O)[O-] ZINC000195481426 509187094 /nfs/dbraw/zinc/18/70/94/509187094.db2.gz UHNHFBIDPIBUAZ-UHFFFAOYSA-N 1 0 358.373 2.523 20 5 FFBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)n1 ZINC000191830950 509200693 /nfs/dbraw/zinc/20/06/93/509200693.db2.gz XPFYLUJHBHVSMF-HNNXBMFYSA-N 1 0 371.441 2.548 20 5 FFBDRO Cc1c(CC(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000162334105 509201783 /nfs/dbraw/zinc/20/17/83/509201783.db2.gz ZOIAKQCHQBEKSO-SFHVURJKSA-N 1 0 355.438 2.735 20 5 FFBDRO CC[NH+](CC)CCN(CC(C)C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000195536743 509208532 /nfs/dbraw/zinc/20/85/32/509208532.db2.gz HGRKEWXKCSULJI-UHFFFAOYSA-N 1 0 357.476 2.583 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCCC[NH+]2CCC(C)CC2)cc1C ZINC000195593891 509210193 /nfs/dbraw/zinc/21/01/93/509210193.db2.gz KPAGTHLJUZHLFM-UHFFFAOYSA-N 1 0 369.487 2.612 20 5 FFBDRO COc1cccc(C(=O)NCC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000162404747 509217212 /nfs/dbraw/zinc/21/72/12/509217212.db2.gz OYHPCTCQGKAJMV-AWEZNQCLSA-N 1 0 357.410 2.992 20 5 FFBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)n1 ZINC000191872168 509224092 /nfs/dbraw/zinc/22/40/92/509224092.db2.gz YBTZMINDUCKWBA-UHFFFAOYSA-N 1 0 363.462 2.539 20 5 FFBDRO C[NH2+]C[C@@H]1CCN(C(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)C1 ZINC000179020903 509228184 /nfs/dbraw/zinc/22/81/84/509228184.db2.gz MQESJZPQAYCOQQ-HNNXBMFYSA-N 1 0 360.458 2.513 20 5 FFBDRO CC[C@H]([NH2+]CCNS(=O)(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000162486884 509235582 /nfs/dbraw/zinc/23/55/82/509235582.db2.gz XOQGUIFJDLSHAM-KRWDZBQOSA-N 1 0 363.439 2.614 20 5 FFBDRO CCC[N@H+](C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C1 ZINC000172788269 509236084 /nfs/dbraw/zinc/23/60/84/509236084.db2.gz CMUMGVASWYOMED-INIZCTEOSA-N 1 0 374.485 2.999 20 5 FFBDRO COc1cccc(F)c1[C@@H](C)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182434507 509236540 /nfs/dbraw/zinc/23/65/40/509236540.db2.gz LONQOHWBDZBDDI-OLZOCXBDSA-N 1 0 364.373 2.833 20 5 FFBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000248124619 509239572 /nfs/dbraw/zinc/23/95/72/509239572.db2.gz VEOXTEQXXPKOMN-UGSOOPFHSA-N 1 0 356.426 2.561 20 5 FFBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N(C)[C@@H]2CC[NH2+]C2)cc1 ZINC000179121884 509273390 /nfs/dbraw/zinc/27/33/90/509273390.db2.gz XNUCTNFWEPBLEU-CQSZACIVSA-N 1 0 371.393 2.830 20 5 FFBDRO COc1cccc(NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000185644268 509282002 /nfs/dbraw/zinc/28/20/02/509282002.db2.gz LQSIKEJQBMTIQD-HOTGVXAUSA-N 1 0 357.410 2.651 20 5 FFBDRO C[C@@H]1C[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]2CCCC[C@@H]12 ZINC000248411193 509304987 /nfs/dbraw/zinc/30/49/87/509304987.db2.gz DNILVSZDFQBVSC-DYEKYZERSA-N 1 0 361.398 2.773 20 5 FFBDRO COc1cc(C[NH2+][C@H](CO)Cc2ccccc2C)c([N+](=O)[O-])cc1OC ZINC000188934512 509331307 /nfs/dbraw/zinc/33/13/07/509331307.db2.gz CPWCQHTWGLXQNJ-INIZCTEOSA-N 1 0 360.410 2.614 20 5 FFBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2Br)C1 ZINC000182662550 509357418 /nfs/dbraw/zinc/35/74/18/509357418.db2.gz AFDZAJDBQOBLPF-LLVKDONJSA-N 1 0 370.247 2.914 20 5 FFBDRO C[NH+](C)[C@]1(CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCSC1 ZINC000267133319 509358510 /nfs/dbraw/zinc/35/85/10/509358510.db2.gz CYZNZSPCTAVWML-AWEZNQCLSA-N 1 0 358.851 2.807 20 5 FFBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC(Oc3ccc(F)cc3F)CC2)n1 ZINC000176210911 509379757 /nfs/dbraw/zinc/37/97/57/509379757.db2.gz SMKQVIPOKNRFRH-UHFFFAOYSA-N 1 0 352.341 2.613 20 5 FFBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000185885716 509406429 /nfs/dbraw/zinc/40/64/29/509406429.db2.gz IJADZZGZTIISRZ-QWHCGFSZSA-N 1 0 354.838 2.920 20 5 FFBDRO CCC[N@H+](C)C[C@@H]1CCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000176280012 509418105 /nfs/dbraw/zinc/41/81/05/509418105.db2.gz UBHJHXDLEJKOET-HOTGVXAUSA-N 1 0 362.474 2.894 20 5 FFBDRO CC[NH+]1CCC(NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)CC1 ZINC000164076470 509460752 /nfs/dbraw/zinc/46/07/52/509460752.db2.gz YLZKPQQAUMNZJI-UHFFFAOYSA-N 1 0 370.247 2.880 20 5 FFBDRO CC1CCN(c2ccc(C(=O)NCC[C@H]3CCC[NH2+]C3)cc2[N+](=O)[O-])CC1 ZINC000236670160 509476777 /nfs/dbraw/zinc/47/67/77/509476777.db2.gz BCZBWHVRZPZJEX-MRXNPFEDSA-N 1 0 374.485 2.951 20 5 FFBDRO O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc([N+](=O)[O-])s1 ZINC000264357376 509478734 /nfs/dbraw/zinc/47/87/34/509478734.db2.gz YCACXMYSSGXKIK-HNNXBMFYSA-N 1 0 359.451 2.951 20 5 FFBDRO COC(=O)[C@@H](C)[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C1CCC1 ZINC000192384096 509496584 /nfs/dbraw/zinc/49/65/84/509496584.db2.gz RUVDLTLAFIBJLP-CYBMUJFWSA-N 1 0 363.414 2.648 20 5 FFBDRO COc1cccc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000248837789 509505475 /nfs/dbraw/zinc/50/54/75/509505475.db2.gz DQQMDZWZZPSJDO-RHSMWYFYSA-N 1 0 369.421 2.854 20 5 FFBDRO CCn1nc(C)c([N+](=O)[O-])c1NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000192490288 509539342 /nfs/dbraw/zinc/53/93/42/509539342.db2.gz ALTXFXVZRKEWNB-UHFFFAOYSA-N 1 0 372.473 2.744 20 5 FFBDRO CC(C)(C)OC1CC[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000164906917 509543016 /nfs/dbraw/zinc/54/30/16/509543016.db2.gz JMHWERIYWHLBRY-OAHLLOKOSA-N 1 0 352.431 2.614 20 5 FFBDRO C[C@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183014974 509548159 /nfs/dbraw/zinc/54/81/59/509548159.db2.gz LQRMGJATSBQXRF-UONOGXRCSA-N 1 0 367.471 2.526 20 5 FFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000248945920 509550532 /nfs/dbraw/zinc/55/05/32/509550532.db2.gz ZGWNKOIOHPAFKS-FZKQIMNGSA-N 1 0 354.410 2.549 20 5 FFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000248950443 509551659 /nfs/dbraw/zinc/55/16/59/509551659.db2.gz ZSWZCAYWMOWPDA-CRAIPNDOSA-N 1 0 368.437 2.915 20 5 FFBDRO C[NH+](C)CC1(CNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CCCC1 ZINC000186180735 509562450 /nfs/dbraw/zinc/56/24/50/509562450.db2.gz PAGBDBUBRBRPMJ-UHFFFAOYSA-N 1 0 371.441 2.632 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C[NH3+])C2CCCCC2)cc1SC ZINC000237121821 509575080 /nfs/dbraw/zinc/57/50/80/509575080.db2.gz GPINPBUKJFCRDJ-ZDUSSCGKSA-N 1 0 367.471 2.963 20 5 FFBDRO COc1ccc(CSCC(=O)N[C@@](C)(C[NH3+])CC(C)C)cc1[N+](=O)[O-] ZINC000237248593 509602693 /nfs/dbraw/zinc/60/26/93/509602693.db2.gz NPOSLYLVJQDXIO-QGZVFWFLSA-N 1 0 369.487 2.716 20 5 FFBDRO CC(C)C[C@H]1OCCC[C@@H]1[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000186305259 509633973 /nfs/dbraw/zinc/63/39/73/509633973.db2.gz AZVFUDNDGRVGHU-FUHWJXTLSA-N 1 0 361.442 2.667 20 5 FFBDRO Nc1c(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000176706406 509651156 /nfs/dbraw/zinc/65/11/56/509651156.db2.gz YJWPKLKWSKVAFI-HNNXBMFYSA-N 1 0 354.410 2.571 20 5 FFBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N[C@H]3CCC[NH2+]C3)cc2[N+](=O)[O-])C1 ZINC000237478841 509657663 /nfs/dbraw/zinc/65/76/63/509657663.db2.gz DXYJCTMYEUZGQO-FMKPAKJESA-N 1 0 360.458 2.559 20 5 FFBDRO O=C(C[N@H+](C[C@H]1CCCO1)C1CCCC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000173578947 509657629 /nfs/dbraw/zinc/65/76/29/509657629.db2.gz LIZSGBHEFAANLD-GOSISDBHSA-N 1 0 373.453 2.908 20 5 FFBDRO C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)[C@H]1C[NH3+] ZINC000237525974 509670574 /nfs/dbraw/zinc/67/05/74/509670574.db2.gz IRYBKAGMKUANLT-RNCFNFMXSA-N 1 0 356.220 2.557 20 5 FFBDRO CC(C)[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000179997424 509704522 /nfs/dbraw/zinc/70/45/22/509704522.db2.gz UZZGRZRKRGITME-UHFFFAOYSA-N 1 0 357.357 2.799 20 5 FFBDRO CC1(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CC[NH2+]CC1 ZINC000183364789 509740010 /nfs/dbraw/zinc/74/00/10/509740010.db2.gz RMVURGLPRXMTCP-UHFFFAOYSA-N 1 0 360.458 2.705 20 5 FFBDRO [NH3+]C1(CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)CCCCC1 ZINC000237914225 509772549 /nfs/dbraw/zinc/77/25/49/509772549.db2.gz QFTQZZUPJQKNDB-UHFFFAOYSA-N 1 0 363.461 2.933 20 5 FFBDRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000238011360 509797245 /nfs/dbraw/zinc/79/72/45/509797245.db2.gz VRFARPPCFANSPT-CRAIPNDOSA-N 1 0 363.461 2.788 20 5 FFBDRO COC(=O)c1cccc(NC(=O)C[C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000183594672 509877652 /nfs/dbraw/zinc/87/76/52/509877652.db2.gz IDSQLJHZIGDGNF-CYBMUJFWSA-N 1 0 371.393 2.888 20 5 FFBDRO COc1ccccc1CN(C)C(=O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180443989 509927140 /nfs/dbraw/zinc/92/71/40/509927140.db2.gz HXRBHBWWHLAYAT-AWEZNQCLSA-N 1 0 357.410 2.913 20 5 FFBDRO COC(=O)c1ccc(NC(=O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000180447112 509929160 /nfs/dbraw/zinc/92/91/60/509929160.db2.gz ZTWVCGFMVSEAPM-LBPRGKRZSA-N 1 0 357.366 2.671 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+](C2CC2)[C@H]2CCCc3ccccc32)c1 ZINC000245438545 509932236 /nfs/dbraw/zinc/93/22/36/509932236.db2.gz FLFJHNSUQVVGGW-HKUYNNGSSA-N 1 0 356.426 2.694 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000193585179 509978183 /nfs/dbraw/zinc/97/81/83/509978183.db2.gz RKSIJNZFSDSPTI-AWEZNQCLSA-N 1 0 357.414 2.835 20 5 FFBDRO CCN(CCC[NH+]1CCCC1)S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000190186966 509992598 /nfs/dbraw/zinc/99/25/98/509992598.db2.gz KHVNAGYKMSMRIM-UHFFFAOYSA-N 1 0 369.487 2.708 20 5 FFBDRO CC(C)[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)NCCc1ccc([N+](=O)[O-])cc1)C2 ZINC000174254731 510024777 /nfs/dbraw/zinc/02/47/77/510024777.db2.gz LQBQSQUNRHHSGN-FUHWJXTLSA-N 1 0 360.458 2.794 20 5 FFBDRO C[NH2+][C@@H]1CCCN(C(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC000261687189 510026501 /nfs/dbraw/zinc/02/65/01/510026501.db2.gz HYZATVRASWRPNW-GDBMZVCRSA-N 1 0 360.458 2.655 20 5 FFBDRO [NH3+]CCN(CCc1ccccc1)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000261693516 510030185 /nfs/dbraw/zinc/03/01/85/510030185.db2.gz INZAENBFOKAJQS-UHFFFAOYSA-N 1 0 368.437 2.813 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)NC2CC[NH+](C(C)C)CC2)cc1SC ZINC000171271261 510047811 /nfs/dbraw/zinc/04/78/11/510047811.db2.gz FSPURMZRCHJQAL-UHFFFAOYSA-N 1 0 367.471 2.928 20 5 FFBDRO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000193766300 510057881 /nfs/dbraw/zinc/05/78/81/510057881.db2.gz XRXKHKNBSYWOIO-OAHLLOKOSA-N 1 0 357.385 2.986 20 5 FFBDRO Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000180716207 510068797 /nfs/dbraw/zinc/06/87/97/510068797.db2.gz INQSIQIMXYJBCZ-MRXNPFEDSA-N 1 0 368.437 2.962 20 5 FFBDRO O=[N+]([O-])c1ccc2nc(N3CC[NH+](CC4CCOCC4)CC3)ccc2c1 ZINC000265483243 510081003 /nfs/dbraw/zinc/08/10/03/510081003.db2.gz ICKGBBRYVOQVNW-UHFFFAOYSA-N 1 0 356.426 2.692 20 5 FFBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000177496919 510095771 /nfs/dbraw/zinc/09/57/71/510095771.db2.gz IOCRVSAKBWJUPS-CVEARBPZSA-N 1 0 360.458 2.798 20 5 FFBDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000261902243 510108148 /nfs/dbraw/zinc/10/81/48/510108148.db2.gz WVVAGJCSKMYCDJ-XUWVNRHRSA-N 1 0 374.485 2.886 20 5 FFBDRO CCOc1cccc(NCc2cccnc2N2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000184090200 510126355 /nfs/dbraw/zinc/12/63/55/510126355.db2.gz IUQGDIWFQLWRNE-UHFFFAOYSA-N 1 0 371.441 2.752 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N3CC[C@@](C)(C[NH3+])C3)cc2[N+](=O)[O-])C1 ZINC000261957569 510127831 /nfs/dbraw/zinc/12/78/31/510127831.db2.gz KQFCXAGQEYYEHL-KUHUBIRLSA-N 1 0 360.458 2.642 20 5 FFBDRO CC(C)OCC[NH+]1CCC(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000177700634 510205005 /nfs/dbraw/zinc/20/50/05/510205005.db2.gz LAFODEIXZGACBF-UHFFFAOYSA-N 1 0 369.849 2.867 20 5 FFBDRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc([N+](=O)[O-])cc1Br ZINC000265757249 510212200 /nfs/dbraw/zinc/21/22/00/510212200.db2.gz JHWQPNODCMDALK-KBPBESRZSA-N 1 0 368.231 2.714 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@H](CCCc3ccccc3)C2)c1 ZINC000245929009 510213101 /nfs/dbraw/zinc/21/31/01/510213101.db2.gz IPEAQTFDEDSXDG-AZUAARDMSA-N 1 0 372.469 2.887 20 5 FFBDRO C[C@H](Nc1ccc(C(=O)NCCCC[NH3+])cc1[N+](=O)[O-])c1ccccn1 ZINC000262243791 510219225 /nfs/dbraw/zinc/21/92/25/510219225.db2.gz PGYPBXSTQGBWPY-ZDUSSCGKSA-N 1 0 357.414 2.632 20 5 FFBDRO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)C2 ZINC000174682855 510248797 /nfs/dbraw/zinc/24/87/97/510248797.db2.gz QEAXHJGQGWWNOQ-DOTOQJQBSA-N 1 0 372.469 2.894 20 5 FFBDRO COc1ccc(C(=O)Nc2ncc(C3CC[NH2+]CC3)s2)cc1[N+](=O)[O-] ZINC000262377962 510261871 /nfs/dbraw/zinc/26/18/71/510261871.db2.gz XNAXPWDMLAYWIR-UHFFFAOYSA-N 1 0 362.411 2.779 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCS[C@H]2CCCC[C@H]21 ZINC000246068912 510274791 /nfs/dbraw/zinc/27/47/91/510274791.db2.gz CEXUTQPLLWMSGW-ZBFHGGJFSA-N 1 0 365.455 2.902 20 5 FFBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NCC[C@@H]2CC[NH2+]C2)CC1 ZINC000269190872 510282661 /nfs/dbraw/zinc/28/26/61/510282661.db2.gz XIKWBBVEDDULGF-HNNXBMFYSA-N 1 0 360.458 2.561 20 5 FFBDRO C[NH+]1CCC(Nc2ccccc2NC(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000184362759 510285390 /nfs/dbraw/zinc/28/53/90/510285390.db2.gz XATYDMCZLVJZID-UHFFFAOYSA-N 1 0 369.425 2.935 20 5 FFBDRO COc1ccc(NC(=O)CC[NH2+][C@@H](C)c2nccs2)c([N+](=O)[O-])c1 ZINC000184403846 510307651 /nfs/dbraw/zinc/30/76/51/510307651.db2.gz SIEWBYHJULIBEU-JTQLQIEISA-N 1 0 350.400 2.739 20 5 FFBDRO CC(C)[NH2+]C1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000171692534 510311598 /nfs/dbraw/zinc/31/15/98/510311598.db2.gz BYNYPPGPVXQOMI-UHFFFAOYSA-N 1 0 354.838 2.649 20 5 FFBDRO CC[C@@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1nc(C)cs1 ZINC000184443630 510328372 /nfs/dbraw/zinc/32/83/72/510328372.db2.gz GTKJGQVESGUISP-QWHCGFSZSA-N 1 0 351.428 2.840 20 5 FFBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC(Oc3ccc(F)cc3F)CC2)c1 ZINC000174822191 510329059 /nfs/dbraw/zinc/32/90/59/510329059.db2.gz OQDGLKKJXLZTPQ-UHFFFAOYSA-N 1 0 352.341 2.613 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000184487625 510350454 /nfs/dbraw/zinc/35/04/54/510350454.db2.gz HOZNBQLSADJYHB-UHFFFAOYSA-N 1 0 362.430 2.540 20 5 FFBDRO Cc1cc(C(=O)N2CCN(C3CC[NH+](C(C)C)CC3)CC2)ccc1[N+](=O)[O-] ZINC000269360758 510361717 /nfs/dbraw/zinc/36/17/17/510361717.db2.gz JHBPEWXIMIRSKG-UHFFFAOYSA-N 1 0 374.485 2.534 20 5 FFBDRO C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1nc(-c2ccccc2)cs1 ZINC000184516715 510367970 /nfs/dbraw/zinc/36/79/70/510367970.db2.gz GEKQLJGOBBQLON-SWLSCSKDSA-N 1 0 373.438 2.627 20 5 FFBDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000262768228 510404010 /nfs/dbraw/zinc/40/40/10/510404010.db2.gz LEYPBKRZIQEALX-ZYHUDNBSSA-N 1 0 374.363 2.530 20 5 FFBDRO CC[C@H](NC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1)c1cccc([N+](=O)[O-])c1 ZINC000262768378 510404246 /nfs/dbraw/zinc/40/42/46/510404246.db2.gz MDVDMROKLJWELU-CVEARBPZSA-N 1 0 357.414 2.597 20 5 FFBDRO C[C@]1(c2ccccc2)CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000246293110 510412257 /nfs/dbraw/zinc/41/22/57/510412257.db2.gz BOHMKCDIHHPFNX-UYAOXDASSA-N 1 0 372.421 2.582 20 5 FFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000246328446 510429506 /nfs/dbraw/zinc/42/95/06/510429506.db2.gz DLIYXHHXNCPSQT-CRAIPNDOSA-N 1 0 363.458 2.535 20 5 FFBDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000184640477 510435886 /nfs/dbraw/zinc/43/58/86/510435886.db2.gz RWPPKKCYGYRHCA-CYBMUJFWSA-N 1 0 369.425 2.527 20 5 FFBDRO CC[C@H]([NH2+]CC(=O)NCc1ccc2c(c1)OCO2)c1cccc([N+](=O)[O-])c1 ZINC000181534013 510459479 /nfs/dbraw/zinc/45/94/79/510459479.db2.gz IYDVVMGZMUIWPD-INIZCTEOSA-N 1 0 371.393 2.681 20 5 FFBDRO C[C@@H](NC(=O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181540753 510463024 /nfs/dbraw/zinc/46/30/24/510463024.db2.gz OYXSVIOISWLUPG-HUUCEWRRSA-N 1 0 361.442 2.743 20 5 FFBDRO O=[N+]([O-])c1cc(Br)ccc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000266221147 510467670 /nfs/dbraw/zinc/46/76/70/510467670.db2.gz HRFQMCRGJMLVGL-LBPRGKRZSA-N 1 0 370.247 2.516 20 5 FFBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000191057845 510486491 /nfs/dbraw/zinc/48/64/91/510486491.db2.gz NPJLJDXOTQUDKR-OAHLLOKOSA-N 1 0 360.458 2.905 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+]1CCC(OC2CCCC2)CC1 ZINC000181648881 510521774 /nfs/dbraw/zinc/52/17/74/510521774.db2.gz IOIZQQGVWOHTHP-HNNXBMFYSA-N 1 0 364.442 2.758 20 5 FFBDRO COc1ccccc1[C@@H](CC(C)C)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000181717156 510555799 /nfs/dbraw/zinc/55/57/99/510555799.db2.gz SLKBLNVUMUTLBN-DOTOQJQBSA-N 1 0 362.430 2.538 20 5 FFBDRO CCc1n[nH]c(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000175272302 510562962 /nfs/dbraw/zinc/56/29/62/510562962.db2.gz LQLQVJSWUHLARN-UKRRQHHQSA-N 1 0 371.441 2.663 20 5 FFBDRO CCC[C@]1(COC)CCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000194925834 510593763 /nfs/dbraw/zinc/59/37/63/510593763.db2.gz RTWRVCGQHPOWQM-FUHWJXTLSA-N 1 0 352.431 2.616 20 5 FFBDRO CCc1n[nH]c(C(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)c1[N+](=O)[O-] ZINC000172197679 510595391 /nfs/dbraw/zinc/59/53/91/510595391.db2.gz MCOLVTOKXHLXRB-KBPBESRZSA-N 1 0 363.462 2.607 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000191320500 510604535 /nfs/dbraw/zinc/60/45/35/510604535.db2.gz HUTNOPUNUSEOKR-HNNXBMFYSA-N 1 0 364.446 2.690 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H](Cc2ccccc2)c2cccs2)c1 ZINC000184968596 510610157 /nfs/dbraw/zinc/61/01/57/510610157.db2.gz JQHUGUHQUDWFLH-SJORKVTESA-N 1 0 372.450 2.787 20 5 FFBDRO CC(C)C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)[NH+](C)C ZINC000181876188 510636851 /nfs/dbraw/zinc/63/68/51/510636851.db2.gz DMVZFRAQRBSIPE-GFCCVEGCSA-N 1 0 359.373 2.902 20 5 FFBDRO C[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCc2ccccc2C1 ZINC000181884036 510639984 /nfs/dbraw/zinc/63/99/84/510639984.db2.gz YHXLUNLNINXNMU-QZTJIDSGSA-N 1 0 356.422 2.824 20 5 FFBDRO COc1ccc(OCC[NH+]2CCC(c3nc(C)no3)CC2)c([N+](=O)[O-])c1 ZINC000266539681 510645878 /nfs/dbraw/zinc/64/58/78/510645878.db2.gz PHZHBRYCBUTHQH-UHFFFAOYSA-N 1 0 362.386 2.553 20 5 FFBDRO C[NH+]1CCC([C@@H]2CCN(C(=O)CSc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000270041336 510649462 /nfs/dbraw/zinc/64/94/62/510649462.db2.gz APOBTIIVHBYXAS-OAHLLOKOSA-N 1 0 363.483 2.877 20 5 FFBDRO CN(Cc1cccc([N+](=O)[O-])c1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188302676 510698295 /nfs/dbraw/zinc/69/82/95/510698295.db2.gz IDESMPKPADQVRQ-FQEVSTJZSA-N 1 0 355.438 2.664 20 5 FFBDRO C[C@H]([NH2+]Cc1cccc(OCC(=O)N(C)C)c1)c1ccc([N+](=O)[O-])cc1 ZINC000178646966 510702814 /nfs/dbraw/zinc/70/28/14/510702814.db2.gz AADWIQUECKMQBP-AWEZNQCLSA-N 1 0 357.410 2.913 20 5 FFBDRO Cc1cc(C(=O)NC2CC[NH+](Cc3cccnc3)CC2)cc([N+](=O)[O-])c1 ZINC000175666516 510724038 /nfs/dbraw/zinc/72/40/38/510724038.db2.gz DNOQVPGHXRNEJK-UHFFFAOYSA-N 1 0 354.410 2.693 20 5 FFBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2C)[C@@H](C)C1 ZINC000246906154 510737313 /nfs/dbraw/zinc/73/73/13/510737313.db2.gz VOVZGNMBHUQSRW-MAUKXSAKSA-N 1 0 363.458 2.770 20 5 FFBDRO CCSc1ccc([C@@H](C)[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000182136723 510775877 /nfs/dbraw/zinc/77/58/77/510775877.db2.gz JJUBGLNZXDQLBJ-IUODEOHRSA-N 1 0 350.444 2.615 20 5 FFBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000172584031 510805461 /nfs/dbraw/zinc/80/54/61/510805461.db2.gz JQHRUCIKXWEMFA-HNNXBMFYSA-N 1 0 360.458 2.872 20 5 FFBDRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000247110259 510837048 /nfs/dbraw/zinc/83/70/48/510837048.db2.gz DWXKROFEJHXYPI-JQWIXIFHSA-N 1 0 370.356 2.897 20 5 FFBDRO CC[N@@H+]1CC[C@H](CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000182310506 510848039 /nfs/dbraw/zinc/84/80/39/510848039.db2.gz ZFZUGZPRSDHBBG-LLVKDONJSA-N 1 0 357.863 2.798 20 5 FFBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](Cc2nccn2C)C1 ZINC000247334914 510857657 /nfs/dbraw/zinc/85/76/57/510857657.db2.gz VSMYRLNAXWWUJV-CABCVRRESA-N 1 0 371.441 2.610 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@@H]2CCCc2ccccc2)c1 ZINC000247342030 510857761 /nfs/dbraw/zinc/85/77/61/510857761.db2.gz XPQLDRBKMVNVKR-PKOBYXMFSA-N 1 0 358.442 2.640 20 5 FFBDRO CCS[C@@H]1CC[C@@H]([N@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000247539911 510865113 /nfs/dbraw/zinc/86/51/13/510865113.db2.gz PAHTYBFDNHQLLF-FRFSOERESA-N 1 0 354.472 2.941 20 5 FFBDRO COc1cc(C(=O)N2CC[C@H](c3ccc(F)cc3)[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000297282368 510885723 /nfs/dbraw/zinc/88/57/23/510885723.db2.gz UFHKKTQLGPNIME-HZPDHXFCSA-N 1 0 373.384 2.700 20 5 FFBDRO COc1ccc(OC)c([C@H](O)C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000293887188 510887775 /nfs/dbraw/zinc/88/77/75/510887775.db2.gz VSAONHODHCBJJQ-PIGZYNQJSA-N 1 0 361.398 2.578 20 5 FFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1F)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000285492811 510929233 /nfs/dbraw/zinc/92/92/33/510929233.db2.gz CIXDQCLTKZRFLZ-UHFFFAOYSA-N 1 0 373.388 2.915 20 5 FFBDRO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)c3nn(C)cc3[N+](=O)[O-])cc2)C1 ZINC000270726925 510963564 /nfs/dbraw/zinc/96/35/64/510963564.db2.gz BKVKIVYQZLPGTO-ZDUSSCGKSA-N 1 0 357.414 2.813 20 5 FFBDRO CC1CC[NH+]([C@H](CNC(=O)c2nn(C)cc2[N+](=O)[O-])c2ccccc2)CC1 ZINC000270737385 510968245 /nfs/dbraw/zinc/96/82/45/510968245.db2.gz FBJYDQCOMLOAAV-MRXNPFEDSA-N 1 0 371.441 2.531 20 5 FFBDRO Cc1noc([C@H]2CCCCN2CCC(=O)Nc2ccccc2[N+](=O)[O-])n1 ZINC000285595060 510970762 /nfs/dbraw/zinc/97/07/62/510970762.db2.gz JIXWTOGIVPPAMY-OAHLLOKOSA-N 1 0 359.386 2.842 20 5 FFBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000282428774 510974098 /nfs/dbraw/zinc/97/40/98/510974098.db2.gz JWWZOMVXTZNSCD-ZDUSSCGKSA-N 1 0 359.348 2.811 20 5 FFBDRO Cc1ccccc1C[N@@H+]1CCCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000361066458 510988955 /nfs/dbraw/zinc/98/89/55/510988955.db2.gz AJELTLQOJCATDL-UHFFFAOYSA-N 1 0 366.425 2.658 20 5 FFBDRO C[N@@H+]1CC[C@@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(F)cc1 ZINC000361204184 511012658 /nfs/dbraw/zinc/01/26/58/511012658.db2.gz NCJBCYLTIILBQF-MJGOQNOKSA-N 1 0 357.385 2.838 20 5 FFBDRO C[C@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)CC2(CCOCC2)O1 ZINC000279066517 511018877 /nfs/dbraw/zinc/01/88/77/511018877.db2.gz ABLDQHGAAATZPN-HNNXBMFYSA-N 1 0 350.415 2.634 20 5 FFBDRO C[NH+](C)CCn1nccc1NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000297656663 511024885 /nfs/dbraw/zinc/02/48/85/511024885.db2.gz DXTXVNCNSLROCE-UHFFFAOYSA-N 1 0 371.319 2.624 20 5 FFBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000279288557 511032544 /nfs/dbraw/zinc/03/25/44/511032544.db2.gz MDFOMBQMZIJHLJ-KBPBESRZSA-N 1 0 355.797 2.673 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(OC)c(F)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000297711930 511043469 /nfs/dbraw/zinc/04/34/69/511043469.db2.gz NCQZDGJOIKIUTH-RISCZKNCSA-N 1 0 353.394 2.545 20 5 FFBDRO C[C@@H]1C[C@H](NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000279381559 511063601 /nfs/dbraw/zinc/06/36/01/511063601.db2.gz VAFJGJCBGCYDKB-KOLCDFICSA-N 1 0 355.797 2.671 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000297802756 511072685 /nfs/dbraw/zinc/07/26/85/511072685.db2.gz HYUZMUFZFQQSIT-HOTGVXAUSA-N 1 0 363.414 2.575 20 5 FFBDRO O=C(CC[N@@H+]1CCC[C@H](c2ccncn2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000361652485 511074910 /nfs/dbraw/zinc/07/49/10/511074910.db2.gz MHVUQRXZZQGWRM-AWEZNQCLSA-N 1 0 355.398 2.593 20 5 FFBDRO COCCCN(C(=O)c1ccc([N+](=O)[O-])c(Cl)c1)C1CC[NH+](C)CC1 ZINC000291395085 511181357 /nfs/dbraw/zinc/18/13/57/511181357.db2.gz GXNZPOMYKVIWRU-UHFFFAOYSA-N 1 0 369.849 2.821 20 5 FFBDRO NC(=O)N[C@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000271397125 511190487 /nfs/dbraw/zinc/19/04/87/511190487.db2.gz VALGQBBVAGVOHL-JTQLQIEISA-N 1 0 364.789 2.751 20 5 FFBDRO COCCOC1(C[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])CCOCC1 ZINC000294875448 511206244 /nfs/dbraw/zinc/20/62/44/511206244.db2.gz VDLCRNGXMWXMBO-MRXNPFEDSA-N 1 0 366.458 2.718 20 5 FFBDRO O=[N+]([O-])c1cnc2ccccc2c1N1CCC(C[NH+]2CCOCC2)CC1 ZINC000291610816 511266564 /nfs/dbraw/zinc/26/65/64/511266564.db2.gz JKQBTKAWCBKUBP-UHFFFAOYSA-N 1 0 356.426 2.692 20 5 FFBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000295086472 511278214 /nfs/dbraw/zinc/27/82/14/511278214.db2.gz WEHRWERVOHPAFS-OAHLLOKOSA-N 1 0 361.442 2.748 20 5 FFBDRO COc1cccc(C2([NH2+]CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)CC2)c1 ZINC000271663544 511279387 /nfs/dbraw/zinc/27/93/87/511279387.db2.gz AZWITCZALBQTIN-UHFFFAOYSA-N 1 0 367.405 2.771 20 5 FFBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2cccc(S(N)(=O)=O)c2)cc1[N+](=O)[O-] ZINC000271697304 511290264 /nfs/dbraw/zinc/29/02/64/511290264.db2.gz LBNRRTJCLDJSSJ-STQMWFEESA-N 1 0 363.439 2.962 20 5 FFBDRO CN(CC[N@H+](C)C1CCN(C)CC1)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000271722281 511300540 /nfs/dbraw/zinc/30/05/40/511300540.db2.gz RQXMAFVWIOUPGR-UHFFFAOYSA-N 1 0 354.882 2.706 20 5 FFBDRO CCCC[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(OC)cc1 ZINC000271787139 511324112 /nfs/dbraw/zinc/32/41/12/511324112.db2.gz HGUWOQJNBOALRI-FUHWJXTLSA-N 1 0 362.430 2.682 20 5 FFBDRO CN(Cc1cn2c(n1)CCCC2)C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000365346813 511395231 /nfs/dbraw/zinc/39/52/31/511395231.db2.gz RDIXGMDZPWNFIT-UHFFFAOYSA-N 1 0 357.414 2.588 20 5 FFBDRO C[C@@H]1CN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)CC[N@@H+](C2CC2)C1 ZINC000295532757 511436806 /nfs/dbraw/zinc/43/68/06/511436806.db2.gz JTDXJORELXNKSC-ZDUSSCGKSA-N 1 0 369.425 2.541 20 5 FFBDRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000292033330 511438866 /nfs/dbraw/zinc/43/88/66/511438866.db2.gz XTPINXZOGLAXEJ-MRXNPFEDSA-N 1 0 365.477 3.000 20 5 FFBDRO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000283628527 511441652 /nfs/dbraw/zinc/44/16/52/511441652.db2.gz BIOLIBLHERHIFN-GJYPPUQNSA-N 1 0 354.410 2.682 20 5 FFBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272213868 511467297 /nfs/dbraw/zinc/46/72/97/511467297.db2.gz SBIVYJHQWKETQH-GFCCVEGCSA-N 1 0 355.385 2.875 20 5 FFBDRO COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)CCC(C)(C)[N+](=O)[O-])cc1 ZINC000295655801 511473224 /nfs/dbraw/zinc/47/32/24/511473224.db2.gz HFTSNOLPQFQDGC-QGZVFWFLSA-N 1 0 363.458 2.784 20 5 FFBDRO Cc1ccccc1NC(=O)CC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365509164 511494632 /nfs/dbraw/zinc/49/46/32/511494632.db2.gz INGKSEHEQQDVRS-UHFFFAOYSA-N 1 0 357.414 2.765 20 5 FFBDRO CC(C)(C)OC(=O)CCCC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365518858 511500864 /nfs/dbraw/zinc/50/08/64/511500864.db2.gz URMXAMCOXDWXJO-UHFFFAOYSA-N 1 0 352.435 2.940 20 5 FFBDRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000299086645 511509857 /nfs/dbraw/zinc/50/98/57/511509857.db2.gz SWHGESNOULEQPW-JKSUJKDBSA-N 1 0 358.442 2.552 20 5 FFBDRO COc1cc(C(=O)NCCCNc2ccc(C)cn2)c([N+](=O)[O-])cc1F ZINC000295855834 511536504 /nfs/dbraw/zinc/53/65/04/511536504.db2.gz OABSRSZDOSQUOE-UHFFFAOYSA-N 1 0 362.361 2.678 20 5 FFBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000363416271 511537047 /nfs/dbraw/zinc/53/70/47/511537047.db2.gz BHAQXWSBQOZYKC-SJLPKXTDSA-N 1 0 360.458 2.844 20 5 FFBDRO CC[C@@H](O)[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000299222118 511555968 /nfs/dbraw/zinc/55/59/68/511555968.db2.gz IOJFTQSEYZHURT-DOTOQJQBSA-N 1 0 365.430 2.557 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H](c2nccn2C)C1 ZINC000365633340 511571314 /nfs/dbraw/zinc/57/13/14/511571314.db2.gz VHESNDUSEWTSCE-OAHLLOKOSA-N 1 0 371.441 2.845 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000296013395 511588322 /nfs/dbraw/zinc/58/83/22/511588322.db2.gz NQMXLOORRQLIRP-BMGDILEWSA-N 1 0 359.426 2.779 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2noc(C[NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)n2)cc1 ZINC000296099355 511618933 /nfs/dbraw/zinc/61/89/33/511618933.db2.gz QWUQFFCCUWQRIA-IMJJTQAJSA-N 1 0 356.382 2.692 20 5 FFBDRO CC[NH+](CC)[C@H](CNC(=O)c1[nH]nc(C)c1[N+](=O)[O-])c1ccsc1 ZINC000299431397 511633413 /nfs/dbraw/zinc/63/34/13/511633413.db2.gz DLYXZMFUHHIYFC-GFCCVEGCSA-N 1 0 351.432 2.501 20 5 FFBDRO COc1cc(C[NH2+]C[C@H]2CCOC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000299471046 511649593 /nfs/dbraw/zinc/64/95/93/511649593.db2.gz AQVUMMODSLPXNN-SNVBAGLBSA-N 1 0 364.320 2.671 20 5 FFBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@H](OCc2ccncc2)C1 ZINC000280951465 511663876 /nfs/dbraw/zinc/66/38/76/511663876.db2.gz IVEPHAMBGSWYJI-HOCLYGCPSA-N 1 0 370.409 2.608 20 5 FFBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@@H](O)c3ccc(Cl)cc3)CC2)n1 ZINC000365819058 511667251 /nfs/dbraw/zinc/66/72/51/511667251.db2.gz IDRSAPOBECGGFB-OAHLLOKOSA-N 1 0 350.806 2.815 20 5 FFBDRO CC1(C)C[C@@H]([NH2+]CC2(S(C)(=O)=O)CCC2)c2cc([N+](=O)[O-])ccc21 ZINC000280967540 511671127 /nfs/dbraw/zinc/67/11/27/511671127.db2.gz LBDUHGISIAOVQP-OAHLLOKOSA-N 1 0 352.456 2.874 20 5 FFBDRO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@H+](Cc4ccccn4)CC3)nc2c1 ZINC000274091374 511716887 /nfs/dbraw/zinc/71/68/87/511716887.db2.gz RUJJCHGDFJORFG-UHFFFAOYSA-N 1 0 352.398 2.578 20 5 FFBDRO O=C1N[C@H]2CC[N@@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C[C@@H]2CO1 ZINC000281155709 511740660 /nfs/dbraw/zinc/74/06/60/511740660.db2.gz FTXSFPMKEJQARX-CJNGLKHVSA-N 1 0 357.366 2.785 20 5 FFBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000363778444 511762831 /nfs/dbraw/zinc/76/28/31/511762831.db2.gz MYXAMROOEGVPDG-HOCLYGCPSA-N 1 0 354.410 2.881 20 5 FFBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1N)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000313072433 511787421 /nfs/dbraw/zinc/78/74/21/511787421.db2.gz VPYPMRJWGUBJNJ-ZBFHGGJFSA-N 1 0 368.437 2.817 20 5 FFBDRO CNc1ccc(-c2nc([C@H]3C[N@@H+]4CCC[C@@]4(C)CO3)no2)cc1[N+](=O)[O-] ZINC000350389707 511799123 /nfs/dbraw/zinc/79/91/23/511799123.db2.gz MDCYXRGYSAKSPY-PBHICJAKSA-N 1 0 359.386 2.612 20 5 FFBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3)C[C@H]21 ZINC000317044445 511803962 /nfs/dbraw/zinc/80/39/62/511803962.db2.gz OUSHDWFHBPFLDO-CUOATXAZSA-N 1 0 368.231 2.557 20 5 FFBDRO COCCOc1ccccc1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000366046245 511806595 /nfs/dbraw/zinc/80/65/95/511806595.db2.gz ZUANXUONAKSBEA-UHFFFAOYSA-N 1 0 360.414 2.654 20 5 FFBDRO C[C@H]1CN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC[N@@H+](C2CC2)C1 ZINC000296683149 511851841 /nfs/dbraw/zinc/85/18/41/511851841.db2.gz IRLGDIIKDMJVIH-ZDUSSCGKSA-N 1 0 357.414 2.561 20 5 FFBDRO CN(CCC[NH+]1CCCC1)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000281682250 511929545 /nfs/dbraw/zinc/92/95/45/511929545.db2.gz KRATWHZNYBXUBA-UHFFFAOYSA-N 1 0 370.247 2.915 20 5 FFBDRO NC(=O)c1ccc(C[N@@H+]2CCCC[C@H]2[C@@H](O)c2ccccc2)c([N+](=O)[O-])c1 ZINC000364053264 511932213 /nfs/dbraw/zinc/93/22/13/511932213.db2.gz GRIDTLDJXYXCTE-HKUYNNGSSA-N 1 0 369.421 2.782 20 5 FFBDRO O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000293350206 511933533 /nfs/dbraw/zinc/93/35/33/511933533.db2.gz JXXUHGVKPOIDPL-OCCSQVGLSA-N 1 0 358.423 2.542 20 5 FFBDRO COc1cc(C(=O)N2CCC(CCC[NH+](C)C)CC2)c([N+](=O)[O-])cc1F ZINC000296988077 511978119 /nfs/dbraw/zinc/97/81/19/511978119.db2.gz FFEWWKCTDBIGGQ-UHFFFAOYSA-N 1 0 367.421 2.937 20 5 FFBDRO C[C@H]([NH2+]Cc1cccc(N2CCOCC2)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293665071 512044308 /nfs/dbraw/zinc/04/43/08/512044308.db2.gz IYLUUCIJQAKYJY-AWEZNQCLSA-N 1 0 356.426 2.864 20 5 FFBDRO C[N@@H+]1CCCC12CCN(c1ncc([N+](=O)[O-])cc1Br)CC2 ZINC000367640907 512596095 /nfs/dbraw/zinc/59/60/95/512596095.db2.gz AUXXSRZTPJLDRL-UHFFFAOYSA-N 1 0 355.236 2.817 20 5 FFBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000367845094 512687029 /nfs/dbraw/zinc/68/70/29/512687029.db2.gz ZXYDEXHBLYKKKS-YPMHNXCESA-N 1 0 369.368 2.895 20 5 FFBDRO COC[C@H]1CCCCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000372087434 512710217 /nfs/dbraw/zinc/71/02/17/512710217.db2.gz CXUATCJSVLAMHQ-LBPRGKRZSA-N 1 0 355.822 2.935 20 5 FFBDRO O=C(CC[N@@H+]1CC[C@H](n2cc(Cl)cn2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000367984368 512751076 /nfs/dbraw/zinc/75/10/76/512751076.db2.gz AZRJIJNNFHOYJQ-HNNXBMFYSA-N 1 0 363.805 2.720 20 5 FFBDRO CCCN(CC[NH+]1CCCC1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000411717504 512777527 /nfs/dbraw/zinc/77/75/27/512777527.db2.gz IPXFOMIFUILCML-GOSISDBHSA-N 1 0 360.458 2.508 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@@H](c3ccc(F)cc3)CC2)c1 ZINC000378491505 512788674 /nfs/dbraw/zinc/78/86/74/512788674.db2.gz GXSVOIRQMMANJA-RDTXWAMCSA-N 1 0 362.405 2.561 20 5 FFBDRO C[N@@H+]1CCCC12CCN(C(=O)c1cc(=O)[nH]c3ccc([N+](=O)[O-])cc31)CC2 ZINC000378511444 512798528 /nfs/dbraw/zinc/79/85/28/512798528.db2.gz MKONYCXNGYDPKR-UHFFFAOYSA-N 1 0 370.409 2.549 20 5 FFBDRO CC(C)(O)C[N@@H+]1CCc2c(cccc2NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000368169592 512829496 /nfs/dbraw/zinc/82/94/96/512829496.db2.gz XJOWOVKFAMCQAT-UHFFFAOYSA-N 1 0 369.421 2.976 20 5 FFBDRO C[C@@H]1[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2N)CC[N@@H+]1Cc1ccccc1 ZINC000382009666 512876603 /nfs/dbraw/zinc/87/66/03/512876603.db2.gz MTXQVNILKBBGJS-CJNGLKHVSA-N 1 0 354.410 2.570 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1CCc2nc(C(C)C)[nH]c2C1 ZINC000372453327 512883576 /nfs/dbraw/zinc/88/35/76/512883576.db2.gz CGDLZHRCVVRHHT-GFCCVEGCSA-N 1 0 372.425 2.871 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](c2ccnc(N)n2)C1 ZINC000374553071 512888794 /nfs/dbraw/zinc/88/87/94/512888794.db2.gz VPCVIMMRBFIXLX-ZDUSSCGKSA-N 1 0 357.414 2.576 20 5 FFBDRO CO[C@@](C)([C@H](C)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000411970066 512894291 /nfs/dbraw/zinc/89/42/91/512894291.db2.gz MSBMQICXAJGTDS-QFYYESIMSA-N 1 0 355.822 2.980 20 5 FFBDRO CO[C@](C)([C@H](C)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000411970065 512894912 /nfs/dbraw/zinc/89/49/12/512894912.db2.gz MSBMQICXAJGTDS-MGPLVRAMSA-N 1 0 355.822 2.980 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(NCCN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000390856734 512912550 /nfs/dbraw/zinc/91/25/50/512912550.db2.gz CQVJYZQSVWYXGJ-UHFFFAOYSA-N 1 0 370.453 2.833 20 5 FFBDRO COC(=O)[C@@]1(C)CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000412064327 512939873 /nfs/dbraw/zinc/93/98/73/512939873.db2.gz JVCIFIPEDBOPOU-SFHVURJKSA-N 1 0 363.414 2.507 20 5 FFBDRO CC(C)(C)OC(=O)CC[C@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000412081964 512950575 /nfs/dbraw/zinc/95/05/75/512950575.db2.gz WZMHVSBCBBSTAI-CQSZACIVSA-N 1 0 352.435 2.625 20 5 FFBDRO O=C1[C@@H]([N@@H+]2CC[C@H](Cc3ccncc3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000368486955 512970675 /nfs/dbraw/zinc/97/06/75/512970675.db2.gz QQBVPLKRRPHBGG-APWZRJJASA-N 1 0 366.421 2.660 20 5 FFBDRO CC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000374821482 513021688 /nfs/dbraw/zinc/02/16/88/513021688.db2.gz CFRKMSDOLNUJGA-OAHLLOKOSA-N 1 0 357.414 2.964 20 5 FFBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000408217947 513024097 /nfs/dbraw/zinc/02/40/97/513024097.db2.gz GOKMZJJVMQWLQY-IJEWVQPXSA-N 1 0 367.471 2.621 20 5 FFBDRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000424413583 513133513 /nfs/dbraw/zinc/13/35/13/513133513.db2.gz DKAJASTUMRUQIK-VXGBXAGGSA-N 1 0 357.208 2.749 20 5 FFBDRO Cc1cc(C[NH3+])cc(NC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000424429854 513141701 /nfs/dbraw/zinc/14/17/01/513141701.db2.gz YAMUNKFPQRNFGG-UHFFFAOYSA-N 1 0 356.382 2.657 20 5 FFBDRO C[C@@H]1CN(c2nccc3cc([N+](=O)[O-])ccc32)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000450404047 513179931 /nfs/dbraw/zinc/17/99/31/513179931.db2.gz BTJDDZVJDVYPRB-BEFAXECRSA-N 1 0 369.469 2.605 20 5 FFBDRO CC(C)c1n[nH]c(C(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000433987851 513208924 /nfs/dbraw/zinc/20/89/24/513208924.db2.gz KDZWXVRQLAEYBH-SJCJKPOMSA-N 1 0 351.451 2.682 20 5 FFBDRO COc1cc(C(=O)NCC[C@@H](C)[NH+]2CCCCC2)c([N+](=O)[O-])cc1F ZINC000450568805 513254372 /nfs/dbraw/zinc/25/43/72/513254372.db2.gz TXVKONAGNRUWQZ-GFCCVEGCSA-N 1 0 353.394 2.737 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000429022032 513257395 /nfs/dbraw/zinc/25/73/95/513257395.db2.gz RBXIZWHAVKIKAC-DHSIGJKJSA-N 1 0 360.458 2.504 20 5 FFBDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000434179932 513257256 /nfs/dbraw/zinc/25/72/56/513257256.db2.gz ACJPQMYKJDAQLI-CYBMUJFWSA-N 1 0 351.451 2.826 20 5 FFBDRO Cc1c(NC(=O)CCN2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000429044410 513265831 /nfs/dbraw/zinc/26/58/31/513265831.db2.gz UHWNZPVDCTYUHB-SPYBWZPUSA-N 1 0 374.485 2.894 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000415501531 513296202 /nfs/dbraw/zinc/29/62/02/513296202.db2.gz MRWWFHLWOZRZSQ-CJNGLKHVSA-N 1 0 362.430 2.989 20 5 FFBDRO C[NH2+]C[C@H](C)CNC(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000429219638 513307598 /nfs/dbraw/zinc/30/75/98/513307598.db2.gz CIHZWLYFYLDWBY-KKUMJFAQSA-N 1 0 362.474 2.662 20 5 FFBDRO CCC[C@H]1C[NH2+]CCN1C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000417992686 513322458 /nfs/dbraw/zinc/32/24/58/513322458.db2.gz PAMDMZSOMNEARC-AWEZNQCLSA-N 1 0 354.838 2.574 20 5 FFBDRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000450744042 513323127 /nfs/dbraw/zinc/32/31/27/513323127.db2.gz KNPNDQSJBCSSRT-HNNXBMFYSA-N 1 0 361.442 2.938 20 5 FFBDRO O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000434446855 513325912 /nfs/dbraw/zinc/32/59/12/513325912.db2.gz RGFTXHAOGZUYTH-QGZVFWFLSA-N 1 0 369.425 2.527 20 5 FFBDRO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000434446852 513326419 /nfs/dbraw/zinc/32/64/19/513326419.db2.gz RGFTXHAOGZUYTH-KRWDZBQOSA-N 1 0 369.425 2.527 20 5 FFBDRO CC(=O)N1CCC[N@H+](C[C@H]2CCCN(c3c(C)cccc3[N+](=O)[O-])C2)CC1 ZINC000450777965 513336838 /nfs/dbraw/zinc/33/68/38/513336838.db2.gz SZYQVHOBVVWYLD-GOSISDBHSA-N 1 0 374.485 2.674 20 5 FFBDRO C[NH2+][C@H]1CCCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)C1 ZINC000415647963 513360971 /nfs/dbraw/zinc/36/09/71/513360971.db2.gz BAYKYWBUBLFNPC-NSHDSACASA-N 1 0 371.235 2.881 20 5 FFBDRO C[NH2+]C[C@@H]1CCCN1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000415658179 513366286 /nfs/dbraw/zinc/36/62/86/513366286.db2.gz NCDJTHLLCGSNQN-NSHDSACASA-N 1 0 371.235 2.881 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000415665371 513368989 /nfs/dbraw/zinc/36/89/89/513368989.db2.gz VDPXNAVQKFVHMP-KBPBESRZSA-N 1 0 362.430 2.847 20 5 FFBDRO [NH3+]C[C@H]1CC[C@@H](NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000418092526 513369172 /nfs/dbraw/zinc/36/91/72/513369172.db2.gz RMJJHEXDKHGVPL-JOYOIKCWSA-N 1 0 360.336 2.540 20 5 FFBDRO COc1ccc(OCC[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)c([N+](=O)[O-])c1 ZINC000450859048 513371168 /nfs/dbraw/zinc/37/11/68/513371168.db2.gz LRSNZDUUEBFRKV-BMGDILEWSA-N 1 0 362.426 2.920 20 5 FFBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000421711379 513382889 /nfs/dbraw/zinc/38/28/89/513382889.db2.gz ONQPRGNPWHPNSF-LLVKDONJSA-N 1 0 370.247 2.832 20 5 FFBDRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415699477 513387142 /nfs/dbraw/zinc/38/71/42/513387142.db2.gz IYUFUABNZGLNHL-NOZJJQNGSA-N 1 0 371.235 2.996 20 5 FFBDRO CC1(C)CN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000415700366 513388314 /nfs/dbraw/zinc/38/83/14/513388314.db2.gz MFALYVGKEPREOG-UHFFFAOYSA-N 1 0 357.208 2.573 20 5 FFBDRO CC(C)C[N@@H+]1CCO[C@@H](CNc2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000413029550 513394149 /nfs/dbraw/zinc/39/41/49/513394149.db2.gz GIAUFYSXLSXLJO-LBPRGKRZSA-N 1 0 362.352 2.777 20 5 FFBDRO C[C@@H]1CN(c2cccc3cnccc32)CC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000447383383 513459754 /nfs/dbraw/zinc/45/97/54/513459754.db2.gz KNLDMBDYDGXMKR-OAHLLOKOSA-N 1 0 366.425 2.550 20 5 FFBDRO C[NH2+]Cc1ccccc1NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000415895523 513465554 /nfs/dbraw/zinc/46/55/54/513465554.db2.gz BKCXNOQNXDTMPR-UHFFFAOYSA-N 1 0 356.382 2.741 20 5 FFBDRO CN(Cc1ccccc1)C(=O)C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447538540 513501978 /nfs/dbraw/zinc/50/19/78/513501978.db2.gz BVYDGJFACLXCLS-IRXDYDNUSA-N 1 0 371.441 2.523 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]Cc2nncn2-c2ccccc2)n1 ZINC000447538788 513502631 /nfs/dbraw/zinc/50/26/31/513502631.db2.gz DGUCHLQRENMBRF-JKSUJKDBSA-N 1 0 367.413 2.646 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCC[C@@H]([C@H]4CCOC4)C3)n2)cc1 ZINC000441198861 513509409 /nfs/dbraw/zinc/50/94/09/513509409.db2.gz CKNMIHOWRKERCW-CABCVRRESA-N 1 0 358.398 2.893 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCC[C@@H]([C@H]4CCOC4)C3)n2)c1 ZINC000441197550 513510228 /nfs/dbraw/zinc/51/02/28/513510228.db2.gz AXLDZGXMWAWUJV-CABCVRRESA-N 1 0 358.398 2.893 20 5 FFBDRO C[C@@H](O)C[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@H](C)Cc1ccc(Cl)cc1 ZINC000441241249 513518326 /nfs/dbraw/zinc/51/83/26/513518326.db2.gz SEVWBJZAGDCATF-ZIAGYGMSSA-N 1 0 366.849 2.759 20 5 FFBDRO COCc1ccc(CNC(=O)C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000451109030 513530404 /nfs/dbraw/zinc/53/04/04/513530404.db2.gz XNMBUZYQONIJKD-AWEZNQCLSA-N 1 0 357.410 2.708 20 5 FFBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC2(CCC(O)CC2)CC1 ZINC000451157044 513557128 /nfs/dbraw/zinc/55/71/28/513557128.db2.gz VLIYKXNRTDEVJJ-CQSZACIVSA-N 1 0 361.442 2.939 20 5 FFBDRO CO[C@H]1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@@H](C[NH3+])C1 ZINC000435375430 513569266 /nfs/dbraw/zinc/56/92/66/513569266.db2.gz VASBHGZYSFALLT-CVEARBPZSA-N 1 0 362.455 2.656 20 5 FFBDRO COc1ccc(CN2CC[C@H](C[NH3+])C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000435381142 513571036 /nfs/dbraw/zinc/57/10/36/513571036.db2.gz RPEIVROYSVAYOC-QGZVFWFLSA-N 1 0 371.437 2.963 20 5 FFBDRO C[NH2+]CCN(C)Cc1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000435386623 513572491 /nfs/dbraw/zinc/57/24/91/513572491.db2.gz UPVOUPVLUIAXCH-UHFFFAOYSA-N 1 0 359.426 2.834 20 5 FFBDRO O=C(NCCC1=CC[NH2+]CC1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000418604595 513573996 /nfs/dbraw/zinc/57/39/96/513573996.db2.gz RLOQJYWGMTZEKF-QGZVFWFLSA-N 1 0 358.442 2.794 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000430211261 513588059 /nfs/dbraw/zinc/58/80/59/513588059.db2.gz XHOPTXFDWRHADD-IIDMSEBBSA-N 1 0 363.458 2.677 20 5 FFBDRO Cc1ncsc1CN(C[C@@H]1CC[NH2+]C1)C(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000435595082 513628564 /nfs/dbraw/zinc/62/85/64/513628564.db2.gz SYQPGLCCWQXKJW-CQSZACIVSA-N 1 0 374.466 2.920 20 5 FFBDRO Cc1ncsc1CN(C[C@@H]1CC[NH2+]C1)C(=O)c1cc([N+](=O)[O-])ccc1C ZINC000435598824 513631197 /nfs/dbraw/zinc/63/11/97/513631197.db2.gz SXHBNYADHTZGBY-CQSZACIVSA-N 1 0 374.466 2.920 20 5 FFBDRO CN(c1ccccc1)c1ccc(C[NH2+][C@@H](CO)[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000447965161 513640366 /nfs/dbraw/zinc/64/03/66/513640366.db2.gz HTHQGGZDVRKTIV-PXNSSMCTSA-N 1 0 371.437 2.992 20 5 FFBDRO CN(c1ccccc1)c1ccc(C[NH2+][C@H](CO)[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000447965165 513640494 /nfs/dbraw/zinc/64/04/94/513640494.db2.gz HTHQGGZDVRKTIV-YLJYHZDGSA-N 1 0 371.437 2.992 20 5 FFBDRO COc1ccc(NC(=O)CC[N@@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000416207900 513645328 /nfs/dbraw/zinc/64/53/28/513645328.db2.gz WWKNEKBQOKXPCG-UHFFFAOYSA-N 1 0 355.394 2.990 20 5 FFBDRO CCn1ccnc1CN(Cc1ccccc1[N+](=O)[O-])[C@@H]1CC12CC[NH2+]CC2 ZINC000435692090 513658494 /nfs/dbraw/zinc/65/84/94/513658494.db2.gz NURSSHZERYCHCD-GOSISDBHSA-N 1 0 369.469 2.956 20 5 FFBDRO Cc1c(CN(Cc2nccn2C)[C@@H]2CC23CC[NH2+]CC3)cccc1[N+](=O)[O-] ZINC000435695928 513660523 /nfs/dbraw/zinc/66/05/23/513660523.db2.gz OQQHCSZYOPTVIN-GOSISDBHSA-N 1 0 369.469 2.781 20 5 FFBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000451298219 513661067 /nfs/dbraw/zinc/66/10/67/513661067.db2.gz VSHXRUJEBKWYDO-KRWDZBQOSA-N 1 0 371.441 2.631 20 5 FFBDRO O=C1[C@H]([N@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)CCN1c1cccc([N+](=O)[O-])c1 ZINC000451343682 513689786 /nfs/dbraw/zinc/68/97/86/513689786.db2.gz OSIQADPCXAQWBR-NCXUSEDFSA-N 1 0 373.453 2.716 20 5 FFBDRO COc1cc(CN2CCC[C@H]([C@@H](C)[NH3+])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000430598569 513700901 /nfs/dbraw/zinc/70/09/01/513700901.db2.gz TVYVIVWFUQZRIC-MNOVXSKESA-N 1 0 359.373 2.764 20 5 FFBDRO CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000430814604 513755683 /nfs/dbraw/zinc/75/56/83/513755683.db2.gz JGDPQAGSFBGLKZ-HZPDHXFCSA-N 1 0 363.458 2.990 20 5 FFBDRO C[C@H](CNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)[NH+](C)C ZINC000436111962 513764166 /nfs/dbraw/zinc/76/41/66/513764166.db2.gz ZXETWURQRICPIY-SNVBAGLBSA-N 1 0 359.376 2.639 20 5 FFBDRO C[C@@H]([NH2+][C@@H]1CCO[C@@H](c2ccccn2)C1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000419304540 513768836 /nfs/dbraw/zinc/76/88/36/513768836.db2.gz JYKLXRYOZIMNIF-DDUZABMNSA-N 1 0 370.409 2.827 20 5 FFBDRO CC(C)O[C@@H]1C[C@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1(C)C ZINC000451490148 513784363 /nfs/dbraw/zinc/78/43/63/513784363.db2.gz CXYVJQWFESDPMR-XOKHGSTOSA-N 1 0 352.431 2.516 20 5 FFBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2[C@H](C)[C@H](OC)C2(C)C)c([N+](=O)[O-])c1 ZINC000451502477 513794936 /nfs/dbraw/zinc/79/49/36/513794936.db2.gz PXCNBQCXMLHESJ-QMMBQJITSA-N 1 0 365.430 2.580 20 5 FFBDRO CCC[NH+]1CCC(NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)CC1 ZINC000448596024 513798670 /nfs/dbraw/zinc/79/86/70/513798670.db2.gz SWFMVPIDCUOCSZ-UHFFFAOYSA-N 1 0 357.414 2.589 20 5 FFBDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000436299602 513820311 /nfs/dbraw/zinc/82/03/11/513820311.db2.gz SKFMVQLEQCHWPR-BARDWOONSA-N 1 0 350.419 2.596 20 5 FFBDRO CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000451589694 513851843 /nfs/dbraw/zinc/85/18/43/513851843.db2.gz JFPXLPCZELLJNC-KGLIPLIRSA-N 1 0 363.414 2.553 20 5 FFBDRO CC(C)[C@@H](CO)[C@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])C(C)C ZINC000451589455 513852132 /nfs/dbraw/zinc/85/21/32/513852132.db2.gz AODVHWNTLLJXMH-JJRVBVJISA-N 1 0 351.447 2.801 20 5 FFBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)[N@@H+]1CCCC[C@H]1C ZINC000448699172 513852881 /nfs/dbraw/zinc/85/28/81/513852881.db2.gz SMHIYWVZXWZRMW-HUUCEWRRSA-N 1 0 371.441 2.773 20 5 FFBDRO COc1cc(C[NH2+][C@@H]2CCC[C@H]2OC)c([N+](=O)[O-])cc1OCC(F)F ZINC000451635604 513877143 /nfs/dbraw/zinc/87/71/43/513877143.db2.gz YIQFMLWENQXVCM-DGCLKSJQSA-N 1 0 360.357 2.904 20 5 FFBDRO CC[NH+](CC)CC1CCN(C(=O)c2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC000448825358 513916350 /nfs/dbraw/zinc/91/63/50/513916350.db2.gz QNYCBYPFHAPKPA-UHFFFAOYSA-N 1 0 367.421 2.937 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CC[C@@H]4C[C@H](O)CC[C@H]4C3)n2)c1 ZINC000451707782 513926753 /nfs/dbraw/zinc/92/67/53/513926753.db2.gz NBZMPBUJMVLERT-IVMMDQJWSA-N 1 0 358.398 2.628 20 5 FFBDRO O=C(NCCC[NH2+]C1CCCCC1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000419915901 513965363 /nfs/dbraw/zinc/96/53/63/513965363.db2.gz DKIPTIISHRIHAJ-UHFFFAOYSA-N 1 0 371.441 2.823 20 5 FFBDRO C[NH+](C)[C@@]1(CNC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)CCSC1 ZINC000431687412 513968894 /nfs/dbraw/zinc/96/88/94/513968894.db2.gz XHMDJIBMVHQZGU-QGZVFWFLSA-N 1 0 366.487 2.566 20 5 FFBDRO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000451774965 513972631 /nfs/dbraw/zinc/97/26/31/513972631.db2.gz PKHHDHCZJLBKDZ-HIFRSBDPSA-N 1 0 363.414 2.553 20 5 FFBDRO CC(C)(C(=O)NCCNc1ccccc1[N+](=O)[O-])[C@H]([NH3+])c1ccccc1 ZINC000422931763 513979958 /nfs/dbraw/zinc/97/99/58/513979958.db2.gz CUUDTLNEAWCPTA-QGZVFWFLSA-N 1 0 356.426 2.849 20 5 FFBDRO CN(C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])[C@H]1CC[N@@H+](C2CC2)C1 ZINC000448963916 513996754 /nfs/dbraw/zinc/99/67/54/513996754.db2.gz UGZLVEKDHBLLFB-LBPRGKRZSA-N 1 0 357.332 2.922 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1 ZINC000423062207 514024891 /nfs/dbraw/zinc/02/48/91/514024891.db2.gz MOEDVFWKLPZVHN-QGZVFWFLSA-N 1 0 357.410 2.946 20 5 FFBDRO O=[N+]([O-])c1cc(CN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc(C(F)(F)F)c1 ZINC000423081976 514034252 /nfs/dbraw/zinc/03/42/52/514034252.db2.gz DQQURTNSCMWNBQ-OWCLPIDISA-N 1 0 373.375 2.860 20 5 FFBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000443805037 514047197 /nfs/dbraw/zinc/04/71/97/514047197.db2.gz CQPOEXHCTSENJD-MRXNPFEDSA-N 1 0 373.409 2.668 20 5 FFBDRO Cc1cc(C)c(S(=O)(=O)NC(C)(C)CCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000451898094 514055529 /nfs/dbraw/zinc/05/55/29/514055529.db2.gz XBRLIQLJMMFGAR-UHFFFAOYSA-N 1 0 357.476 2.610 20 5 FFBDRO Cc1cc(N2CCC3(CC[NH2+]C3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000420267374 514065424 /nfs/dbraw/zinc/06/54/24/514065424.db2.gz XZSBPEBBDOEKOW-UHFFFAOYSA-N 1 0 353.426 2.940 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCN(Cc2ccccc2)C1=O ZINC000449109753 514075235 /nfs/dbraw/zinc/07/52/35/514075235.db2.gz YAUUWDQLOPNQIZ-YJBOKZPZSA-N 1 0 353.422 2.917 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCN(Cc2ccccc2)C1=O ZINC000449109752 514075697 /nfs/dbraw/zinc/07/56/97/514075697.db2.gz YAUUWDQLOPNQIZ-QAPCUYQASA-N 1 0 353.422 2.917 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@@]2(CCSC2)C1 ZINC000451981009 514108575 /nfs/dbraw/zinc/10/85/75/514108575.db2.gz RUNOMMRMMFRRTK-QGZVFWFLSA-N 1 0 365.455 2.761 20 5 FFBDRO C[C@H](C[NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccc(S(C)(=O)=O)cc1 ZINC000449201940 514110553 /nfs/dbraw/zinc/11/05/53/514110553.db2.gz FBOBOBOEEKREHT-CQSZACIVSA-N 1 0 362.451 2.934 20 5 FFBDRO O=C(CN1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000420387004 514122007 /nfs/dbraw/zinc/12/20/07/514122007.db2.gz GBGNJFZHGBRTQT-IUODEOHRSA-N 1 0 366.849 2.651 20 5 FFBDRO [NH3+][C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H]1c1ccccc1F ZINC000420389583 514124628 /nfs/dbraw/zinc/12/46/28/514124628.db2.gz OMMBNMUXZSYALH-DZGCQCFKSA-N 1 0 356.357 2.802 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2noc(CN3CCCC[C@H]3[C@@H]3CC[NH2+]C3)n2)cc1 ZINC000420391000 514125972 /nfs/dbraw/zinc/12/59/72/514125972.db2.gz IFMFNOSGOWPUJT-ZBFHGGJFSA-N 1 0 357.414 2.609 20 5 FFBDRO Cn1ccnc1[C@H](NC[C@@H]1[NH2+]CCCC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000423403169 514130244 /nfs/dbraw/zinc/13/02/44/514130244.db2.gz ZAGDFUXJWYGIRM-DLBZAZTESA-N 1 0 357.458 2.786 20 5 FFBDRO Cc1cc(N2CCC[C@@H]([NH2+][C@@H](C)Cc3ccccc3[N+](=O)[O-])C2)n(C)n1 ZINC000449285508 514145082 /nfs/dbraw/zinc/14/50/82/514145082.db2.gz RYJPTIWJUKKQRX-WMLDXEAASA-N 1 0 357.458 2.826 20 5 FFBDRO CN(C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCC[NH2+]CC1 ZINC000423600919 514179393 /nfs/dbraw/zinc/17/93/93/514179393.db2.gz SDHIAPPQZMRJCU-GFCCVEGCSA-N 1 0 357.863 2.941 20 5 FFBDRO C[C@H](NC(=O)NC[C@H]1[NH2+]CCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000417128377 514182182 /nfs/dbraw/zinc/18/21/82/514182182.db2.gz IHJDRMUGQQXUPT-SCLBCKFNSA-N 1 0 354.410 2.842 20 5 FFBDRO C[C@@H](NC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000417140131 514189016 /nfs/dbraw/zinc/18/90/16/514189016.db2.gz PLUDVNNDFDUNSM-JEBQAFNWSA-N 1 0 354.410 2.792 20 5 FFBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2c(C(N)=O)cccc2[N+](=O)[O-])C1 ZINC000420602872 514197209 /nfs/dbraw/zinc/19/72/09/514197209.db2.gz OWQXDYKJQUIUHL-CABCVRRESA-N 1 0 360.458 2.785 20 5 FFBDRO C[C@H]1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000423687630 514201730 /nfs/dbraw/zinc/20/17/30/514201730.db2.gz VVLLBMPCYRNMTH-CMPLNLGQSA-N 1 0 357.863 2.926 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N[C@H]3CC[NH2+]C[C@@H]3C)cc2[N+](=O)[O-])C1 ZINC000432515637 514215466 /nfs/dbraw/zinc/21/54/66/514215466.db2.gz UAOVDOKHNZJNSW-YCPHGPKFSA-N 1 0 360.458 2.559 20 5 FFBDRO C[C@@H](CCC[NH3+])NC(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000449570173 514257848 /nfs/dbraw/zinc/25/78/48/514257848.db2.gz JDXLPLZPBHEFMJ-ZNMIVQPWSA-N 1 0 362.474 2.934 20 5 FFBDRO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000449585315 514263902 /nfs/dbraw/zinc/26/39/02/514263902.db2.gz KVSOQTXSMDQSOR-MAZHCROVSA-N 1 0 363.414 2.633 20 5 FFBDRO CCOc1cc(NC(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)c([N+](=O)[O-])cc1OCC ZINC000414752646 514273559 /nfs/dbraw/zinc/27/35/59/514273559.db2.gz CFMHLMOPWPCVJV-VXGBXAGGSA-N 1 0 366.418 2.593 20 5 FFBDRO CCOc1cc(NC(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)c([N+](=O)[O-])cc1OCC ZINC000414762027 514278918 /nfs/dbraw/zinc/27/89/18/514278918.db2.gz VGUOWHBQQSKKQB-NWDGAFQWSA-N 1 0 366.418 2.654 20 5 FFBDRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000449646415 514279834 /nfs/dbraw/zinc/27/98/34/514279834.db2.gz NTKVYNSBOZAEPU-DGCLKSJQSA-N 1 0 360.439 2.966 20 5 FFBDRO CCN(CCC[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21)S(C)(=O)=O ZINC000417337984 514301216 /nfs/dbraw/zinc/30/12/16/514301216.db2.gz JPSUPMHHONRLRT-QGZVFWFLSA-N 1 0 369.487 2.624 20 5 FFBDRO C[NH2+]CCNCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000414819666 514308843 /nfs/dbraw/zinc/30/88/43/514308843.db2.gz AQWNRSFMCNLBFO-UHFFFAOYSA-N 1 0 354.204 2.926 20 5 FFBDRO [NH3+]C[C@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])C1CCCC1 ZINC000423968431 514312806 /nfs/dbraw/zinc/31/28/06/514312806.db2.gz UMRAGBDPXSVWNW-LBPRGKRZSA-N 1 0 356.220 2.605 20 5 FFBDRO COC(=O)c1cc(C(=O)N[C@H](CCC[NH3+])c2ccccc2)cc([N+](=O)[O-])c1 ZINC000423972517 514316093 /nfs/dbraw/zinc/31/60/93/514316093.db2.gz PJEDBGVUJGXGKR-QGZVFWFLSA-N 1 0 371.393 2.591 20 5 FFBDRO COc1cc(C[NH2+]C[C@@H](C)C[NH3+])ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000414869697 514331784 /nfs/dbraw/zinc/33/17/84/514331784.db2.gz BDUNUXSGHGYMMK-AWEZNQCLSA-N 1 0 359.426 2.867 20 5 FFBDRO C[C@H]1CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C[C@H]1C[NH3+] ZINC000424003716 514332432 /nfs/dbraw/zinc/33/24/32/514332432.db2.gz DWLBMARRGJPBGW-JKSUJKDBSA-N 1 0 363.461 2.598 20 5 FFBDRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000424008819 514337361 /nfs/dbraw/zinc/33/73/61/514337361.db2.gz XBTTYAPZPIEJJA-QAPCUYQASA-N 1 0 373.409 2.700 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])[nH]1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000427910112 514344602 /nfs/dbraw/zinc/34/46/02/514344602.db2.gz WVUXZQSHUCQPMZ-CVEARBPZSA-N 1 0 354.410 2.517 20 5 FFBDRO Cn1cc(CNCC[N@@H+]2CCCC2(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000449781584 514351717 /nfs/dbraw/zinc/35/17/17/514351717.db2.gz IQSVHIUOHWUHRQ-UHFFFAOYSA-N 1 0 357.458 2.959 20 5 FFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC1(CO)CC2(CCC2)C1 ZINC000433057394 514364031 /nfs/dbraw/zinc/36/40/31/514364031.db2.gz LDYHZODMQWNDLK-CQSZACIVSA-N 1 0 361.442 2.844 20 5 FFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC1(CO)CC2(CCC2)C1 ZINC000433060147 514365931 /nfs/dbraw/zinc/36/59/31/514365931.db2.gz XGDOPDHVPIATIC-CQSZACIVSA-N 1 0 361.442 2.844 20 5 FFBDRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000414960273 514376714 /nfs/dbraw/zinc/37/67/14/514376714.db2.gz YBXHYCQWWXWMRT-NXEZZACHSA-N 1 0 358.345 2.835 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](CC(F)(F)F)C2)c1 ZINC000420938480 514387680 /nfs/dbraw/zinc/38/76/80/514387680.db2.gz AWYVRSDJBZDBOM-JSGCOSHPSA-N 1 0 362.348 2.999 20 5 FFBDRO CC(C)OC[C@H](CO)[N@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000433144826 514398469 /nfs/dbraw/zinc/39/84/69/514398469.db2.gz DLQHQMJSACDSTE-INIZCTEOSA-N 1 0 363.414 2.510 20 5 FFBDRO CCN(CC)S(=O)(=O)CC[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433166555 514403689 /nfs/dbraw/zinc/40/36/89/514403689.db2.gz GGPQLERFXSYCJE-MRXNPFEDSA-N 1 0 369.487 2.578 20 5 FFBDRO CCOc1cc(N2CC[NH+](CCC3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000433213565 514424582 /nfs/dbraw/zinc/42/45/82/514424582.db2.gz PPSOJTBLTGLTAP-UHFFFAOYSA-N 1 0 363.458 2.932 20 5 FFBDRO Cc1nc([N+](=O)[O-])cn1CCc1nc(-c2ccc(F)c(C[NH+](C)C)c2)no1 ZINC000445232146 514448546 /nfs/dbraw/zinc/44/85/46/514448546.db2.gz TUDOZXUVHFAHJY-UHFFFAOYSA-N 1 0 374.376 2.593 20 5 FFBDRO C[C@H](c1ccccc1)[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000421034562 514449309 /nfs/dbraw/zinc/44/93/09/514449309.db2.gz YSAKRWMPWLRACV-CQSZACIVSA-N 1 0 363.439 2.566 20 5 FFBDRO Cc1cc(NC(=O)Cc2cccc([N+](=O)[O-])c2C)n(C2CC[NH+](C)CC2)n1 ZINC000438938858 514469625 /nfs/dbraw/zinc/46/96/25/514469625.db2.gz WSBVLXPCCHCGQB-UHFFFAOYSA-N 1 0 371.441 2.856 20 5 FFBDRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000452775490 514491431 /nfs/dbraw/zinc/49/14/31/514491431.db2.gz OFINPIBXDHSMMA-INIZCTEOSA-N 1 0 363.458 2.990 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H](c2cccnc2)C2CC2)cc1 ZINC000445772547 514520269 /nfs/dbraw/zinc/52/02/69/514520269.db2.gz ILCUOUFAFJLUSG-KRWDZBQOSA-N 1 0 361.423 2.504 20 5 FFBDRO COC(=O)Cc1ccc(NC[C@H](Cc2ccccc2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000450218960 514548879 /nfs/dbraw/zinc/54/88/79/514548879.db2.gz ZKHDITGPCWKSPZ-KRWDZBQOSA-N 1 0 371.437 2.895 20 5 FFBDRO C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000479472499 514596995 /nfs/dbraw/zinc/59/69/95/514596995.db2.gz IFWGGFXNXWTGLM-MRXNPFEDSA-N 1 0 360.458 2.508 20 5 FFBDRO O=C([C@@H]1CCC[N@@H+]1C1CCCC1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000461409859 514602286 /nfs/dbraw/zinc/60/22/86/514602286.db2.gz YISYRIZLBYXWSH-KRWDZBQOSA-N 1 0 359.426 2.723 20 5 FFBDRO CN(C(=O)Cc1ccccc1[N+](=O)[O-])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475305354 514610091 /nfs/dbraw/zinc/61/00/91/514610091.db2.gz NPLLDKRTQSZKKE-GOSISDBHSA-N 1 0 353.422 2.870 20 5 FFBDRO Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2N)ccc1OCC[NH+](C)C ZINC000458200605 514623144 /nfs/dbraw/zinc/62/31/44/514623144.db2.gz SXRKGGVGMHNYSA-UHFFFAOYSA-N 1 0 358.398 2.678 20 5 FFBDRO C[NH+](C)CCN(Cc1ccsc1)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000458202010 514623172 /nfs/dbraw/zinc/62/31/72/514623172.db2.gz MXALVCSFIJUMJO-UHFFFAOYSA-N 1 0 363.439 2.626 20 5 FFBDRO CC(C)C[C@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)[NH2+][C@H](C)c1ccccc1 ZINC000497782186 514637653 /nfs/dbraw/zinc/63/76/53/514637653.db2.gz KAFIDULVHYOXIM-UKRRQHHQSA-N 1 0 359.430 2.813 20 5 FFBDRO CC[NH+](CC)[C@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)c1ccccc1 ZINC000502444121 514653594 /nfs/dbraw/zinc/65/35/94/514653594.db2.gz NRGWPKZWCKEJAN-OAHLLOKOSA-N 1 0 354.414 2.554 20 5 FFBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000461628635 514675215 /nfs/dbraw/zinc/67/52/15/514675215.db2.gz SNZJWGMPWUNRIC-CQSZACIVSA-N 1 0 359.430 2.631 20 5 FFBDRO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NCCCCC[NH+]1CCCC1 ZINC000508159811 514690764 /nfs/dbraw/zinc/69/07/64/514690764.db2.gz GWIFRZVWWXNKPA-UHFFFAOYSA-N 1 0 355.385 2.798 20 5 FFBDRO CCN(CCC[NH+](CC)CC)C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000508197876 514702769 /nfs/dbraw/zinc/70/27/69/514702769.db2.gz KXEKLTSPMDNWDX-UHFFFAOYSA-N 1 0 365.430 2.560 20 5 FFBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000470977523 514704391 /nfs/dbraw/zinc/70/43/91/514704391.db2.gz WWDZHLGMIBQDLG-ZBFHGGJFSA-N 1 0 360.458 2.586 20 5 FFBDRO C[C@@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])C(=O)NCCc1ccccc1 ZINC000453610523 514724285 /nfs/dbraw/zinc/72/42/85/514724285.db2.gz JKFHJGPUJCHGNG-AYAUWGRQSA-N 1 0 353.422 2.945 20 5 FFBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000508344529 514748873 /nfs/dbraw/zinc/74/88/73/514748873.db2.gz QWLLNOZHKWMIGO-GJZGRUSLSA-N 1 0 371.441 2.631 20 5 FFBDRO O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)c1cc([N+](=O)[O-])n[nH]1 ZINC000508529330 514808299 /nfs/dbraw/zinc/80/82/99/514808299.db2.gz SCHYQKIQVMBHHZ-UHFFFAOYSA-N 1 0 357.414 2.624 20 5 FFBDRO COCC[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H]1CC[C@H](C)C1 ZINC000484855047 514815903 /nfs/dbraw/zinc/81/59/03/514815903.db2.gz GLUZLZDUXSJTQR-GOEBONIOSA-N 1 0 361.442 2.621 20 5 FFBDRO C[C@H](O)C[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)[C@@H](C)C1 ZINC000480202534 514878323 /nfs/dbraw/zinc/87/83/23/514878323.db2.gz YKWMZEATXDKHEY-KBPBESRZSA-N 1 0 351.447 2.663 20 5 FFBDRO C[NH+](C)CCCCNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000498361242 514879412 /nfs/dbraw/zinc/87/94/12/514879412.db2.gz VRHDWYCTCMZHMV-UHFFFAOYSA-N 1 0 351.450 2.613 20 5 FFBDRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1cc([N+](=O)[O-])nn1C ZINC000476059066 514901898 /nfs/dbraw/zinc/90/18/98/514901898.db2.gz FUZPFNQQSKIUIE-AWEZNQCLSA-N 1 0 371.441 2.633 20 5 FFBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000503088788 514913331 /nfs/dbraw/zinc/91/33/31/514913331.db2.gz YMTQPRSAGVGMIF-UHFFFAOYSA-N 1 0 362.474 2.901 20 5 FFBDRO CCCC[N@H+](C)CC1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000498522642 514945358 /nfs/dbraw/zinc/94/53/58/514945358.db2.gz LQYCXJIXLVEMNS-UHFFFAOYSA-N 1 0 362.474 2.977 20 5 FFBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C[C@H]1C ZINC000498555472 514966175 /nfs/dbraw/zinc/96/61/75/514966175.db2.gz QTCVJEMRQKOVCQ-HZPDHXFCSA-N 1 0 374.485 2.752 20 5 FFBDRO CCC[NH+](CCC)CCCNS(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000467414906 515000900 /nfs/dbraw/zinc/00/09/00/515000900.db2.gz WYVGXIPYYXZUNA-UHFFFAOYSA-N 1 0 363.505 2.755 20 5 FFBDRO O=[N+]([O-])c1cccc2ncnc(N3CC[NH+](CCc4ccccc4)CC3)c21 ZINC000509048696 515002410 /nfs/dbraw/zinc/00/24/10/515002410.db2.gz GCAMCQGQXBJWBO-UHFFFAOYSA-N 1 0 363.421 2.903 20 5 FFBDRO Cn1nc([N+](=O)[O-])cc1C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000476356012 515015743 /nfs/dbraw/zinc/01/57/43/515015743.db2.gz RXYLMXFFECAJFA-UHFFFAOYSA-N 1 0 371.441 2.634 20 5 FFBDRO CC1CC[NH+]([C@@H](CNC(=O)c2cc([N+](=O)[O-])nn2C)c2ccccc2)CC1 ZINC000476377123 515023668 /nfs/dbraw/zinc/02/36/68/515023668.db2.gz SWECQIHNJKVDSJ-KRWDZBQOSA-N 1 0 371.441 2.531 20 5 FFBDRO CCOC(=O)c1cc(C(=O)NC(C)(C)CCC[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000456212117 515026866 /nfs/dbraw/zinc/02/68/66/515026866.db2.gz YSPQNJSLCKEOOP-UHFFFAOYSA-N 1 0 365.430 2.622 20 5 FFBDRO CC1CC[NH+]([C@H](CNC(=O)c2cc([N+](=O)[O-])n[nH]2)c2cccs2)CC1 ZINC000503478897 515047642 /nfs/dbraw/zinc/04/76/42/515047642.db2.gz JOPPGXKRWMPWFZ-CYBMUJFWSA-N 1 0 363.443 2.582 20 5 FFBDRO COc1c(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000476474788 515063187 /nfs/dbraw/zinc/06/31/87/515063187.db2.gz ZWGNJUUNZLUDNM-WBVHZDCISA-N 1 0 355.394 2.779 20 5 FFBDRO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000485599295 515106228 /nfs/dbraw/zinc/10/62/28/515106228.db2.gz LXOQHFQAJSXHQI-LLVKDONJSA-N 1 0 369.368 2.943 20 5 FFBDRO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000485599296 515106861 /nfs/dbraw/zinc/10/68/61/515106861.db2.gz LXOQHFQAJSXHQI-NSHDSACASA-N 1 0 369.368 2.943 20 5 FFBDRO CC(C)[NH+](CCN(C)C(=O)NCCc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000503980644 515188118 /nfs/dbraw/zinc/18/81/18/515188118.db2.gz GSIRRQJHBVLWKN-UHFFFAOYSA-N 1 0 350.463 2.898 20 5 FFBDRO C[C@H]([NH2+][C@H]1CCN(C(=O)COc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000509531888 515221577 /nfs/dbraw/zinc/22/15/77/515221577.db2.gz GTOXLHXDKUGNIN-RDJZCZTQSA-N 1 0 369.421 2.925 20 5 FFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000509922423 515370327 /nfs/dbraw/zinc/37/03/27/515370327.db2.gz CSSZBWBFTMTDQR-CYBMUJFWSA-N 1 0 351.472 2.876 20 5 FFBDRO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NC1CC[NH+](C2CCC2)CC1 ZINC000456732429 515390058 /nfs/dbraw/zinc/39/00/58/515390058.db2.gz NOOFGDUHSWBNIR-UHFFFAOYSA-N 1 0 353.369 2.549 20 5 FFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCN(CCOC)C1 ZINC000504906482 515406916 /nfs/dbraw/zinc/40/69/16/515406916.db2.gz YTTGAHSVCXZNDR-GJZGRUSLSA-N 1 0 353.488 2.776 20 5 FFBDRO C[C@H]1CCC[N@H+](CCNC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000486269624 515410649 /nfs/dbraw/zinc/41/06/49/515410649.db2.gz NAVSUVJIOIHQLH-ZDUSSCGKSA-N 1 0 368.865 2.822 20 5 FFBDRO C[C@@H](CC[NH3+])NC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000477340392 515419027 /nfs/dbraw/zinc/41/90/27/515419027.db2.gz SUMWRXKPGMFACG-STQMWFEESA-N 1 0 357.414 2.630 20 5 FFBDRO CC(C)[C@@H]1CN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000486517926 515521809 /nfs/dbraw/zinc/52/18/09/515521809.db2.gz WTKNWHIYZMPCJM-INIZCTEOSA-N 1 0 368.865 2.772 20 5 FFBDRO CC[C@H](C)[NH2+][C@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000510385645 515523398 /nfs/dbraw/zinc/52/33/98/515523398.db2.gz BKTRHIXFTKSOKA-SWLSCSKDSA-N 1 0 367.427 2.596 20 5 FFBDRO CC[C@@H](C)[NH2+][C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000510440753 515541806 /nfs/dbraw/zinc/54/18/06/515541806.db2.gz DCVWLNCZMOBQAM-IUODEOHRSA-N 1 0 367.427 2.596 20 5 FFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H](c1ccco1)N(C)C ZINC000499973416 515542568 /nfs/dbraw/zinc/54/25/68/515542568.db2.gz BZSXMPHKRGDWNA-CJNGLKHVSA-N 1 0 360.414 2.797 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]C[C@H](CO)[C@H]2CCOC2)c2ccccc2)c1 ZINC000482004365 515543558 /nfs/dbraw/zinc/54/35/58/515543558.db2.gz WHOBXYVIRNJELQ-NLWGTHIKSA-N 1 0 356.422 2.919 20 5 FFBDRO CCC[C@H]1CN(Cc2ccc([N+](=O)[O-])c(OCC)c2)CC[N@@H+]1CCOC ZINC000492718727 515557839 /nfs/dbraw/zinc/55/78/39/515557839.db2.gz BMTRCONAQVWMHJ-KRWDZBQOSA-N 1 0 365.474 2.926 20 5 FFBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])C[C@@H]1C ZINC000500122175 515598290 /nfs/dbraw/zinc/59/82/90/515598290.db2.gz OALMKLUFYQOBMM-NWDGAFQWSA-N 1 0 367.471 2.880 20 5 FFBDRO CC(C)[C@@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1(CO)CCCC1 ZINC000459532236 515626143 /nfs/dbraw/zinc/62/61/43/515626143.db2.gz OQSPBWWDRLGCMH-SJLPKXTDSA-N 1 0 366.458 2.501 20 5 FFBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000457081581 515633685 /nfs/dbraw/zinc/63/36/85/515633685.db2.gz DGAPUWDNYQDLQR-AWEZNQCLSA-N 1 0 351.422 2.953 20 5 FFBDRO CCc1ccc([C@@H](CNC(=O)c2cc([O-])ccc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000469052199 515648110 /nfs/dbraw/zinc/64/81/10/515648110.db2.gz VWJQMCRCJGZPFO-GOSISDBHSA-N 1 0 357.410 2.896 20 5 FFBDRO C[NH+](C)CCOc1cccc(NC(=O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000500274866 515652162 /nfs/dbraw/zinc/65/21/62/515652162.db2.gz SSVOJTLLHUSTQZ-UHFFFAOYSA-N 1 0 359.382 2.553 20 5 FFBDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3ccc4c(c3)OC(F)(F)O4)CC2)n1 ZINC000510760429 515660074 /nfs/dbraw/zinc/66/00/74/515660074.db2.gz BWIDQLJBLNWPCL-UHFFFAOYSA-N 1 0 366.324 2.950 20 5 FFBDRO COc1c[nH+]ccc1N1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000510807356 515675604 /nfs/dbraw/zinc/67/56/04/515675604.db2.gz AZGPHLORDMJQMD-UHFFFAOYSA-N 1 0 364.352 2.599 20 5 FFBDRO COc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000494006101 515710882 /nfs/dbraw/zinc/71/08/82/515710882.db2.gz GEEPOXXILYVORV-PBHICJAKSA-N 1 0 369.421 2.996 20 5 FFBDRO CNc1nc(C(=O)NCc2ccccc2C[N@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC000454769890 515731243 /nfs/dbraw/zinc/73/12/43/515731243.db2.gz KFLJKEZVCUYPMR-UHFFFAOYSA-N 1 0 371.441 2.802 20 5 FFBDRO CN1C(=O)C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000482730893 515785225 /nfs/dbraw/zinc/78/52/25/515785225.db2.gz HGHRPUQMNSXPPU-AEFFLSMTSA-N 1 0 361.348 2.935 20 5 FFBDRO C[N@H+](CCOc1ccc(Br)cc1)CCn1ccc([N+](=O)[O-])n1 ZINC000478421964 515816599 /nfs/dbraw/zinc/81/65/99/515816599.db2.gz BHFILJQJRXYASS-UHFFFAOYSA-N 1 0 369.219 2.565 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2CC(C)(C)OC2(C)C)cc1[N+](=O)[O-] ZINC000473990406 515832670 /nfs/dbraw/zinc/83/26/70/515832670.db2.gz VIWYPLHGUCHHEP-OAHLLOKOSA-N 1 0 366.414 2.582 20 5 FFBDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000506328099 515850235 /nfs/dbraw/zinc/85/02/35/515850235.db2.gz TWHZOAKVDOCEGS-KBPBESRZSA-N 1 0 371.441 2.726 20 5 FFBDRO C[C@H](CNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1)[NH+]1CCC(C)CC1 ZINC000511564024 515946155 /nfs/dbraw/zinc/94/61/55/515946155.db2.gz YWGVXOOONNGVDY-MRXNPFEDSA-N 1 0 362.474 2.899 20 5 FFBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000487895200 516022283 /nfs/dbraw/zinc/02/22/83/516022283.db2.gz JWBUKVQBBQJDQX-HUUCEWRRSA-N 1 0 368.865 2.963 20 5 FFBDRO CNc1nc(C(=O)N2CCC[C@@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)ccc1[N+](=O)[O-] ZINC000455215787 516046823 /nfs/dbraw/zinc/04/68/23/516046823.db2.gz WGIWGPBHEUJMQR-HZSPNIEDSA-N 1 0 361.446 2.509 20 5 FFBDRO CC1(C)C[N@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@@]2(CCCOC2)O1 ZINC000483357928 516049477 /nfs/dbraw/zinc/04/94/77/516049477.db2.gz QOFSOYZXHQKIRY-GOSISDBHSA-N 1 0 350.415 2.634 20 5 FFBDRO CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC000460215056 516071677 /nfs/dbraw/zinc/07/16/77/516071677.db2.gz PXTNQDGXPKFQNH-KBPBESRZSA-N 1 0 358.446 2.792 20 5 FFBDRO CC1CC[NH+]([C@H](CNC(=O)c2cc([N+](=O)[O-])n[nH]2)c2ccccc2)CC1 ZINC000507506410 516227606 /nfs/dbraw/zinc/22/76/06/516227606.db2.gz MTVGAHLGECAPQY-MRXNPFEDSA-N 1 0 357.414 2.521 20 5 FFBDRO COc1ccc(-c2ccc(C[N@H+]3C[C@@H](OC)[C@@H](OC)C3)o2)c([N+](=O)[O-])c1 ZINC000488549075 516257360 /nfs/dbraw/zinc/25/73/60/516257360.db2.gz VFVKHAQYWAAGGV-HDICACEKSA-N 1 0 362.382 2.709 20 5 FFBDRO NC(=O)c1cccc(N2CCC(CCC[NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC000557640893 516353616 /nfs/dbraw/zinc/35/36/16/516353616.db2.gz NJUOFHWRSDKFFD-UHFFFAOYSA-N 1 0 360.458 2.786 20 5 FFBDRO C[C@@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C1(S(C)(=O)=O)CC1 ZINC000512849485 516385211 /nfs/dbraw/zinc/38/52/11/516385211.db2.gz FOLHRFFSPYZNAD-GFCCVEGCSA-N 1 0 364.423 2.910 20 5 FFBDRO CC[N@H+](CCC1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)CC1)CC1CC1 ZINC000540031973 516408134 /nfs/dbraw/zinc/40/81/34/516408134.db2.gz BJQDQMXMFFJGGM-UHFFFAOYSA-N 1 0 360.458 2.964 20 5 FFBDRO Cc1ccc(S(=O)(=O)NCCCCC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000517707188 516417947 /nfs/dbraw/zinc/41/79/47/516417947.db2.gz MVOGVQLVFKWLFE-UHFFFAOYSA-N 1 0 369.487 2.838 20 5 FFBDRO O=C(NCc1ccccc1C[NH+]1CCCCC1)Nc1ccncc1[N+](=O)[O-] ZINC000543766458 516419247 /nfs/dbraw/zinc/41/92/47/516419247.db2.gz WVUAVQLSIFZDLR-UHFFFAOYSA-N 1 0 369.425 2.719 20 5 FFBDRO CCC[N@@H+]1CCC[C@H]1CNc1ncc([N+](=O)[O-])c(C)c1Br ZINC000557765886 516426674 /nfs/dbraw/zinc/42/66/74/516426674.db2.gz NKKYDBQTHDGYFR-NSHDSACASA-N 1 0 357.252 2.769 20 5 FFBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1cccc(NS(C)(=O)=O)c1 ZINC000540149559 516457363 /nfs/dbraw/zinc/45/73/63/516457363.db2.gz RZFDRNBKKHTMKD-CYBMUJFWSA-N 1 0 363.439 2.860 20 5 FFBDRO CCc1nnc(NC(=O)[C@@H](C)[C@H](C)[NH2+]Cc2csc([N+](=O)[O-])c2)s1 ZINC000513068958 516460987 /nfs/dbraw/zinc/46/09/87/516460987.db2.gz LVOKVRQINKLPEJ-IUCAKERBSA-N 1 0 369.472 2.823 20 5 FFBDRO CCCN(CC[NH+]1CCCCC1)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000513123536 516483396 /nfs/dbraw/zinc/48/33/96/516483396.db2.gz VHTUNBDCOWSFRS-UHFFFAOYSA-N 1 0 362.474 2.756 20 5 FFBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000557877165 516484030 /nfs/dbraw/zinc/48/40/30/516484030.db2.gz AKYCUOJHBRQFFU-HZPDHXFCSA-N 1 0 362.474 2.899 20 5 FFBDRO CC(C)Oc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])cn2)[NH+](C)C)cc1 ZINC000557934168 516513783 /nfs/dbraw/zinc/51/37/83/516513783.db2.gz DARJVYBOGQVXRJ-GOSISDBHSA-N 1 0 372.425 2.810 20 5 FFBDRO CC[NH+]1CCC(CNc2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000554587440 516525110 /nfs/dbraw/zinc/52/51/10/516525110.db2.gz WBGBMGLIZLKNEW-UHFFFAOYSA-N 1 0 355.442 2.926 20 5 FFBDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000558025813 516556067 /nfs/dbraw/zinc/55/60/67/516556067.db2.gz PJABPCLXYPXXEH-ZOBUZTSGSA-N 1 0 361.442 2.552 20 5 FFBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc3c(c2)OCO3)cc1[N+](=O)[O-] ZINC000540476478 516573527 /nfs/dbraw/zinc/57/35/27/516573527.db2.gz VRVMFAZEEZKEFG-LBPRGKRZSA-N 1 0 357.366 2.921 20 5 FFBDRO CN1CCN([C@@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])c2cccs2)CC1 ZINC000540481419 516574683 /nfs/dbraw/zinc/57/46/83/516574683.db2.gz PLVSMSZSICXOCQ-KRWDZBQOSA-N 1 0 360.483 2.735 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H](O)COc1ccc2c(c1)OCO2 ZINC000531695104 516600014 /nfs/dbraw/zinc/60/00/14/516600014.db2.gz BDVYUQFWSGMKMT-ZFWWWQNUSA-N 1 0 374.393 2.722 20 5 FFBDRO CCc1ccc([C@H]2CCC[N@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000513400943 516607318 /nfs/dbraw/zinc/60/73/18/516607318.db2.gz IGAWCINNALTFLK-HKUYNNGSSA-N 1 0 358.442 2.594 20 5 FFBDRO C[C@@H](C(=O)NCc1ccc(F)cc1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000554849180 516661859 /nfs/dbraw/zinc/66/18/59/516661859.db2.gz WOSVXKXRKNJTMX-AWEZNQCLSA-N 1 0 359.401 2.913 20 5 FFBDRO O=[N+]([O-])c1cc(C[NH2+]CCNc2ccc(-c3ccccc3)nn2)cs1 ZINC000540809729 516722593 /nfs/dbraw/zinc/72/25/93/516722593.db2.gz PITWAXMDLJIPQT-UHFFFAOYSA-N 1 0 355.423 2.737 20 5 FFBDRO CC(C)[NH+]1CCC(N[C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000513717708 516730832 /nfs/dbraw/zinc/73/08/32/516730832.db2.gz RBPDGAPDFZCGEP-GOSISDBHSA-N 1 0 357.458 2.880 20 5 FFBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C[C@@H](C)C1 ZINC000561762683 516758014 /nfs/dbraw/zinc/75/80/14/516758014.db2.gz PTYKIIXRYKWZSH-OGHNNQOOSA-N 1 0 356.426 2.878 20 5 FFBDRO CCO[C@@H]1C[C@@H]([N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)C1(CC)CC ZINC000536426736 516759346 /nfs/dbraw/zinc/75/93/46/516759346.db2.gz OYUBRDZAQUSDQY-HZPDHXFCSA-N 1 0 351.447 2.672 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])c(NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)n1 ZINC000541004454 516826305 /nfs/dbraw/zinc/82/63/05/516826305.db2.gz CBOAXEPLKXDMPR-QGZVFWFLSA-N 1 0 356.426 2.785 20 5 FFBDRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000541014509 516830948 /nfs/dbraw/zinc/83/09/48/516830948.db2.gz SNBILQHBBHLWEM-LLVKDONJSA-N 1 0 357.357 2.800 20 5 FFBDRO CC[NH+](CC)CCOC1CCN(c2cc(OC)ccc2[N+](=O)[O-])CC1 ZINC000524794057 516833658 /nfs/dbraw/zinc/83/36/58/516833658.db2.gz MEUKMSRNRAUSAQ-UHFFFAOYSA-N 1 0 351.447 2.931 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCCN1C(=O)NC2(CCCCC2)C1=O ZINC000544610103 516835796 /nfs/dbraw/zinc/83/57/96/516835796.db2.gz KIAXEGBHSUDFKR-UHFFFAOYSA-N 1 0 374.441 2.638 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000544612080 516836945 /nfs/dbraw/zinc/83/69/45/516836945.db2.gz OXYOUQUFKAYBGS-CYBMUJFWSA-N 1 0 363.439 2.744 20 5 FFBDRO C[C@@H](C(=O)NCCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000519062489 516872690 /nfs/dbraw/zinc/87/26/90/516872690.db2.gz YXEGNPXYDUZUNO-OWCLPIDISA-N 1 0 363.458 2.704 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCc2ccc(OCC[NH+](C)C)cc2)c1 ZINC000541114864 516882631 /nfs/dbraw/zinc/88/26/31/516882631.db2.gz MODDODSLRACMFL-UHFFFAOYSA-N 1 0 373.409 2.934 20 5 FFBDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000514212111 516905082 /nfs/dbraw/zinc/90/50/82/516905082.db2.gz BGRPBSFYODNNDO-LLVKDONJSA-N 1 0 357.357 2.610 20 5 FFBDRO CC[NH+](CC)CCOc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cn2)cc1 ZINC000532388514 516946947 /nfs/dbraw/zinc/94/69/47/516946947.db2.gz WBHXVTIIRGVGMF-UHFFFAOYSA-N 1 0 372.425 2.640 20 5 FFBDRO COc1ccc(OCC[N@@H+](Cc2ccccc2)C[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000525274436 516990484 /nfs/dbraw/zinc/99/04/84/516990484.db2.gz KBORMWSIPOZHLJ-OAHLLOKOSA-N 1 0 360.410 2.865 20 5 FFBDRO Cc1nc2sccn2c(=O)c1CC[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000551968624 516996199 /nfs/dbraw/zinc/99/61/99/516996199.db2.gz PLJXGHFDTXIEAP-UHFFFAOYSA-N 1 0 370.434 2.573 20 5 FFBDRO COc1ccc(C[NH2+]C[C@H](O)COc2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000514720708 517022506 /nfs/dbraw/zinc/02/25/06/517022506.db2.gz WXBUTOOYCWVPAM-INIZCTEOSA-N 1 0 360.410 2.750 20 5 FFBDRO Cc1ccc([C@H](C)[NH2+]C[C@H](N2CCOCC2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000552097879 517078083 /nfs/dbraw/zinc/07/80/83/517078083.db2.gz PRBLIDRERIWQER-WFASDCNBSA-N 1 0 361.364 2.817 20 5 FFBDRO O=C(CC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)Nc1ccccc1 ZINC000532707325 517107291 /nfs/dbraw/zinc/10/72/91/517107291.db2.gz WIYPWRLWRZBVQW-HNNXBMFYSA-N 1 0 355.398 2.505 20 5 FFBDRO C[C@H]([NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C1CCCCCC1 ZINC000541564633 517114550 /nfs/dbraw/zinc/11/45/50/517114550.db2.gz ANXKFIXFHNAYTC-AWEZNQCLSA-N 1 0 369.487 2.822 20 5 FFBDRO CCC(CC)[C@H](CNc1ncnc2cccc([N+](=O)[O-])c21)[NH+]1CCOCC1 ZINC000541578560 517122423 /nfs/dbraw/zinc/12/24/23/517122423.db2.gz QLMLBQFACAHDMS-KRWDZBQOSA-N 1 0 373.457 2.509 20 5 FFBDRO CS[C@@H]1CN(c2nc3c(cc2[N+](=O)[O-])CCCC3)C[C@@H]1[NH+]1CCCC1 ZINC000519712380 517142501 /nfs/dbraw/zinc/14/25/01/517142501.db2.gz XXXWSIZSLDWJGQ-DLBZAZTESA-N 1 0 362.499 2.885 20 5 FFBDRO Cn1ccc(C[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)c1 ZINC000519725180 517147515 /nfs/dbraw/zinc/14/75/15/517147515.db2.gz OFTVSPGJBLJIMF-UHFFFAOYSA-N 1 0 371.178 2.828 20 5 FFBDRO COc1ccc(OC)c(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000548761778 517197687 /nfs/dbraw/zinc/19/76/87/517197687.db2.gz YJDSGFKYUIYDLB-UHFFFAOYSA-N 1 0 359.382 2.730 20 5 FFBDRO CC(C)[C@@]1(CO)CCC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000559425464 517248121 /nfs/dbraw/zinc/24/81/21/517248121.db2.gz MHRNVMRQXWUZQV-SFHVURJKSA-N 1 0 360.414 2.875 20 5 FFBDRO O=C1C[C@]2(CN1)CCC[N@@H+](Cc1ccc(-c3ccccc3[N+](=O)[O-])o1)C2 ZINC000537615559 517259725 /nfs/dbraw/zinc/25/97/25/517259725.db2.gz YEBSVMGZIFETFK-IBGZPJMESA-N 1 0 355.394 2.957 20 5 FFBDRO C[C@H](C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000526115948 517351547 /nfs/dbraw/zinc/35/15/47/517351547.db2.gz NTYSQLSCEVBXGZ-CYBMUJFWSA-N 1 0 366.414 2.901 20 5 FFBDRO C[C@@H]1[C@H](C)N(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000537825259 517363299 /nfs/dbraw/zinc/36/32/99/517363299.db2.gz USPXUNHUTAEPOP-NEPJUHHUSA-N 1 0 355.822 2.568 20 5 FFBDRO Cc1cc(C(C)(C)C)cc(C)c1CC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000559684271 517374496 /nfs/dbraw/zinc/37/44/96/517374496.db2.gz FVQAXOJGNKYQCD-SFHVURJKSA-N 1 0 374.485 2.899 20 5 FFBDRO O=c1[nH]cnc2cc(N3CCC([NH+]4CCCCC4)CC3)c([N+](=O)[O-])cc12 ZINC000526953092 517405927 /nfs/dbraw/zinc/40/59/27/517405927.db2.gz AFNLKMUFHUJQKO-UHFFFAOYSA-N 1 0 357.414 2.698 20 5 FFBDRO C[C@@H]([NH2+]CC(=O)Nc1cc(C(C)(C)C)nn1C)c1cccc([N+](=O)[O-])c1 ZINC000538177095 517493432 /nfs/dbraw/zinc/49/34/32/517493432.db2.gz PNHSDNNQHHBPOC-GFCCVEGCSA-N 1 0 359.430 2.915 20 5 FFBDRO Cc1ccc([C@H](CNc2cccc(C(N)=O)c2[N+](=O)[O-])[NH+]2CCCC2)o1 ZINC000553048979 517497502 /nfs/dbraw/zinc/49/75/02/517497502.db2.gz HYJWKQCKNDWFSA-HNNXBMFYSA-N 1 0 358.398 2.844 20 5 FFBDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000520760072 517502290 /nfs/dbraw/zinc/50/22/90/517502290.db2.gz KSYTXNIOIUORNK-HUUCEWRRSA-N 1 0 371.441 2.773 20 5 FFBDRO Cn1cc([C@H]([NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C(C)(C)C)cn1 ZINC000538278380 517536317 /nfs/dbraw/zinc/53/63/17/517536317.db2.gz VLYZMUDYZPDVRC-SFHVURJKSA-N 1 0 371.441 2.594 20 5 FFBDRO COc1cc(C(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])c([N+](=O)[O-])cc1OC(F)F ZINC000562973425 517545251 /nfs/dbraw/zinc/54/52/51/517545251.db2.gz GXRZHIKTXGYGPO-GXSJLCMTSA-N 1 0 373.356 2.547 20 5 FFBDRO CCc1ccc([C@H]2C[NH2+]CCN2C(=O)c2cc(OC)ccc2[N+](=O)[O-])cc1 ZINC000562977974 517550815 /nfs/dbraw/zinc/55/08/15/517550815.db2.gz VIODLKRGFWIWIU-LJQANCHMSA-N 1 0 369.421 2.953 20 5 FFBDRO CN(CCC[NH+](C)C)C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000538316765 517561411 /nfs/dbraw/zinc/56/14/11/517561411.db2.gz MIOVUYWBYVBAFG-UHFFFAOYSA-N 1 0 363.336 2.560 20 5 FFBDRO C[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1)[N@@H+]1CCc2ccccc2C1 ZINC000520975357 517566432 /nfs/dbraw/zinc/56/64/32/517566432.db2.gz RYRWOCMEBHRTCE-ZDUSSCGKSA-N 1 0 357.385 2.911 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)n1 ZINC000553272537 517616100 /nfs/dbraw/zinc/61/61/00/517616100.db2.gz BDSDENBFKRXQDO-ZIAGYGMSSA-N 1 0 364.446 2.946 20 5 FFBDRO O=C(NC1CC1)N[C@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000546266017 517621409 /nfs/dbraw/zinc/62/14/09/517621409.db2.gz WZNOYFKRSUHBHV-HNNXBMFYSA-N 1 0 370.409 2.891 20 5 FFBDRO [NH3+][C@H]1CCCCCC[C@H]1C(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[nH][nH]1 ZINC000563062983 517626150 /nfs/dbraw/zinc/62/61/50/517626150.db2.gz KNCSWTLTHAIYMJ-CABCVRRESA-N 1 0 357.414 2.643 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2CCN(c3ncccc3F)C2)n1 ZINC000530359299 517727251 /nfs/dbraw/zinc/72/72/51/517727251.db2.gz CFWWCTTUKKILLM-VNQPRFMTSA-N 1 0 374.420 2.678 20 5 FFBDRO CCOc1cc(N2CC[NH+](C[C@H]3CCCC[C@H]3O)CC2)ccc1[N+](=O)[O-] ZINC000563220383 517748905 /nfs/dbraw/zinc/74/89/05/517748905.db2.gz MGUZNOWUPIQAED-CRAIPNDOSA-N 1 0 363.458 2.667 20 5 FFBDRO O=C1[C@H]([NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)CCN1c1cccc([N+](=O)[O-])c1 ZINC000549920087 517782482 /nfs/dbraw/zinc/78/24/82/517782482.db2.gz PHFCICVHZVRKJG-TVFCKZIOSA-N 1 0 371.437 2.637 20 5 FFBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000563302297 517807037 /nfs/dbraw/zinc/80/70/37/517807037.db2.gz GJHOHUXRCIWTHJ-INIZCTEOSA-N 1 0 360.458 2.799 20 5 FFBDRO [NH3+]CC12CCC(CC1)CN2C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000563335823 517829070 /nfs/dbraw/zinc/82/90/70/517829070.db2.gz AGGSFUDDMUKXLZ-UHFFFAOYSA-N 1 0 372.469 2.541 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]Cc2ccc(OC(F)F)cc2)c1 ZINC000550085743 517855348 /nfs/dbraw/zinc/85/53/48/517855348.db2.gz NRYQLLAWLOPYFO-CQSZACIVSA-N 1 0 368.336 2.726 20 5 FFBDRO CCCc1n[nH]c(C(=O)NCC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000521907556 517895062 /nfs/dbraw/zinc/89/50/62/517895062.db2.gz DBPVOHUHACGKJQ-STQMWFEESA-N 1 0 365.478 2.757 20 5 FFBDRO CC(C)c1ccc(C(=O)Nc2ccc(N3CC[NH2+]CC3)cn2)cc1[N+](=O)[O-] ZINC000516921449 517915828 /nfs/dbraw/zinc/91/58/28/517915828.db2.gz BQKLGZBSHRUMIW-UHFFFAOYSA-N 1 0 369.425 2.775 20 5 FFBDRO C[NH+](C)[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)c1ccc(Cl)cc1 ZINC000530676754 517918040 /nfs/dbraw/zinc/91/80/40/517918040.db2.gz RCNWNSNDBKOWNE-OAHLLOKOSA-N 1 0 362.817 2.863 20 5 FFBDRO CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC000560744588 518000004 /nfs/dbraw/zinc/00/00/04/518000004.db2.gz PBHOZWWDXVQOGI-ZDUSSCGKSA-N 1 0 367.421 2.618 20 5 FFBDRO Cc1cc(OCC(=O)NC[C@H](c2ccccc2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000563717706 518088182 /nfs/dbraw/zinc/08/81/82/518088182.db2.gz XHYUZDRZMLEIEG-GOSISDBHSA-N 1 0 357.410 2.701 20 5 FFBDRO C[N@H+](CCNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)Cc1ccccc1 ZINC000534967141 518102362 /nfs/dbraw/zinc/10/23/62/518102362.db2.gz DMAQFJCJCJFMFZ-UHFFFAOYSA-N 1 0 352.394 2.938 20 5 FFBDRO Cc1cc(NCc2ccc3c(c2)C(=O)NCC3)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000543484184 518116072 /nfs/dbraw/zinc/11/60/72/518116072.db2.gz VCTZJEAARNLRKG-UHFFFAOYSA-N 1 0 362.389 2.771 20 5 FFBDRO CC(C)n1cc([C@@H](C)[NH2+][C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cn1 ZINC000543503546 518120481 /nfs/dbraw/zinc/12/04/81/518120481.db2.gz CHKZXJAHVVNHCU-CXAGYDPISA-N 1 0 357.414 2.828 20 5 FFBDRO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000547421414 518131206 /nfs/dbraw/zinc/13/12/06/518131206.db2.gz DXXOWBCDIGGVOL-QGZVFWFLSA-N 1 0 358.442 2.820 20 5 FFBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000522828817 518167236 /nfs/dbraw/zinc/16/72/36/518167236.db2.gz MMLNNUNWKKXVOG-KRWDZBQOSA-N 1 0 354.410 2.518 20 5 FFBDRO C[NH+](C)CCCOC1CCN(c2nc3c(cc2[N+](=O)[O-])CCCC3)CC1 ZINC000575396306 518210415 /nfs/dbraw/zinc/21/04/15/518210415.db2.gz NKFZSHPELGVXPV-UHFFFAOYSA-N 1 0 362.474 2.806 20 5 FFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)c1 ZINC000572511383 518227126 /nfs/dbraw/zinc/22/71/26/518227126.db2.gz WFKLUDFBJNZMRM-LLVKDONJSA-N 1 0 358.423 2.780 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000578521929 518250209 /nfs/dbraw/zinc/25/02/09/518250209.db2.gz STXODDFIIFYAEY-LBPRGKRZSA-N 1 0 354.765 2.917 20 5 FFBDRO COc1cc(C(=O)N[C@H](CCC[NH3+])c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000566895449 518251472 /nfs/dbraw/zinc/25/14/72/518251472.db2.gz GWVLKRXSTZWIAE-OAHLLOKOSA-N 1 0 373.409 2.822 20 5 FFBDRO Cn1cncc1[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCO1 ZINC000575941679 518353988 /nfs/dbraw/zinc/35/39/88/518353988.db2.gz GSIKUJVZNTWDKO-DLTWYDFYSA-N 1 0 374.445 2.518 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CCC1Cc2ccccc2C1 ZINC000581662286 518396230 /nfs/dbraw/zinc/39/62/30/518396230.db2.gz CXRYKZBHBCAIOP-SFHVURJKSA-N 1 0 356.422 2.729 20 5 FFBDRO C[C@@H]1CCCC[C@H]1CN(CC[NH3+])c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000564500873 518476561 /nfs/dbraw/zinc/47/65/61/518476561.db2.gz WSZYMYLDKZLNFO-KGLIPLIRSA-N 1 0 369.487 2.590 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+][C@H]2CCCC23CCCC3)cc1 ZINC000567413608 518510576 /nfs/dbraw/zinc/51/05/76/518510576.db2.gz QVKOCEXAHUYLQR-INIZCTEOSA-N 1 0 367.471 2.576 20 5 FFBDRO CC(C)(C)c1ccncc1C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000579104000 518523629 /nfs/dbraw/zinc/52/36/29/518523629.db2.gz ZAWUXKWRLSBKHR-HNNXBMFYSA-N 1 0 359.426 2.817 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000579112008 518528814 /nfs/dbraw/zinc/52/88/14/518528814.db2.gz YLCSIUJRKFBFSI-YVEFUNNKSA-N 1 0 367.833 2.618 20 5 FFBDRO COc1cc(Cl)ccc1C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000581998801 518538882 /nfs/dbraw/zinc/53/88/82/518538882.db2.gz XMNSFBIOAIYATI-HNNXBMFYSA-N 1 0 366.801 2.786 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)[C@@H]1C[NH+]2CCC1CC2 ZINC000579270999 518600759 /nfs/dbraw/zinc/60/07/59/518600759.db2.gz CCGYMBSYKGNQJN-IAQYHMDHSA-N 1 0 367.833 2.568 20 5 FFBDRO C[NH+](C)[C@H](CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000573598311 518743988 /nfs/dbraw/zinc/74/39/88/518743988.db2.gz YNCLTPLLVSGNBV-QGZVFWFLSA-N 1 0 363.364 2.835 20 5 FFBDRO [NH3+]C[C@H]1c2ccccc2CCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000567895207 518771937 /nfs/dbraw/zinc/77/19/37/518771937.db2.gz ALIPCQKJRMUMBB-KRWDZBQOSA-N 1 0 365.393 2.703 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)n1 ZINC000582478646 518773065 /nfs/dbraw/zinc/77/30/65/518773065.db2.gz XHOHTOFGTWYUAL-PXAZEXFGSA-N 1 0 350.419 2.699 20 5 FFBDRO CC(C)C[NH+]1CCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C2CC2)CC1 ZINC000565126047 518799700 /nfs/dbraw/zinc/79/97/00/518799700.db2.gz JHMBMUNEUIWNTQ-UHFFFAOYSA-N 1 0 370.457 2.966 20 5 FFBDRO CC1(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)Cc2ccccc2C1 ZINC000570836426 518804206 /nfs/dbraw/zinc/80/42/06/518804206.db2.gz HQCRSHNORMTIDB-GOSISDBHSA-N 1 0 356.422 2.729 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@H]2CCN(CC(F)(F)F)C2)n1 ZINC000570896195 518829193 /nfs/dbraw/zinc/82/91/93/518829193.db2.gz AEPZYJLAXHLNGW-RWMBFGLXSA-N 1 0 361.368 2.501 20 5 FFBDRO Cc1ccc2c(c1C)OC[C@H]2[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000573834267 518857673 /nfs/dbraw/zinc/85/76/73/518857673.db2.gz WEFMUUPWJPGSQG-CRAIPNDOSA-N 1 0 358.394 2.675 20 5 FFBDRO Cc1cccc2c1CC[C@@H]2[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000570974622 518867922 /nfs/dbraw/zinc/86/79/22/518867922.db2.gz PJUMSLWVJRMTJA-SFHVURJKSA-N 1 0 360.435 2.954 20 5 FFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]Cc2cnn(CC(F)(F)F)c2)n1 ZINC000577051049 518891014 /nfs/dbraw/zinc/89/10/14/518891014.db2.gz GRMDYJCYDFBRGH-STQMWFEESA-N 1 0 372.351 2.824 20 5 FFBDRO C[C@@H](C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(C(F)(F)F)cc1 ZINC000582780663 518919498 /nfs/dbraw/zinc/91/94/98/518919498.db2.gz ASKMBUOWJZTKLC-NHYWBVRUSA-N 1 0 372.347 2.564 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CCc2ccc3ccccc3n2)c1 ZINC000582780201 518919598 /nfs/dbraw/zinc/91/95/98/518919598.db2.gz HSWDVAMMVMJBGN-SFHVURJKSA-N 1 0 367.405 2.715 20 5 FFBDRO CC1(c2ccccc2)CCC([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000571158653 518956221 /nfs/dbraw/zinc/95/62/21/518956221.db2.gz RDRGEUDEHLCSAC-CUYAVPTFSA-N 1 0 358.442 2.642 20 5 FFBDRO COc1cc(C[N@@H+]2CCC[C@H](CO)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000582859142 518957420 /nfs/dbraw/zinc/95/74/20/518957420.db2.gz SRMPIDWTWDLWAQ-LBPRGKRZSA-N 1 0 374.384 2.842 20 5 FFBDRO O=C(NCc1cccc([N+](=O)[O-])c1)Nc1ccc(Cn2ccnc2)cn1 ZINC000568311213 518973391 /nfs/dbraw/zinc/97/33/91/518973391.db2.gz CZSPKFIGNZAKDE-UHFFFAOYSA-N 1 0 352.354 2.556 20 5 FFBDRO C[NH+](C)CCc1ccccc1NC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000571198841 518975283 /nfs/dbraw/zinc/97/52/83/518975283.db2.gz CBUWFFUUGPARBP-INIZCTEOSA-N 1 0 359.426 2.551 20 5 FFBDRO Cc1cc(NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)ccc1C[NH+](C)C ZINC000574162171 519017471 /nfs/dbraw/zinc/01/74/71/519017471.db2.gz QLTHMBFFHRXTGG-UHFFFAOYSA-N 1 0 371.393 2.988 20 5 FFBDRO C[C@@H](C(=O)Nc1cccc(C[N@@H+]2CC[C@H](O)C2)c1)c1cccc([N+](=O)[O-])c1 ZINC000577338972 519028654 /nfs/dbraw/zinc/02/86/54/519028654.db2.gz FKVNDYPICYXYEN-KUHUBIRLSA-N 1 0 369.421 2.904 20 5 FFBDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000589615736 519043262 /nfs/dbraw/zinc/04/32/62/519043262.db2.gz SQLWLMUCUXSLBS-LBPRGKRZSA-N 1 0 356.854 2.819 20 5 FFBDRO C[C@H]1C[C@@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CC[N@@H+]1C ZINC000583057226 519053234 /nfs/dbraw/zinc/05/32/34/519053234.db2.gz LDXZDONIXGXTSP-UWVGGRQHSA-N 1 0 358.345 2.800 20 5 FFBDRO C[C@H]1C[C@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CC[N@@H+]1C ZINC000583057227 519053819 /nfs/dbraw/zinc/05/38/19/519053819.db2.gz LDXZDONIXGXTSP-VHSXEESVSA-N 1 0 358.345 2.800 20 5 FFBDRO CN(C(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000565685445 519079770 /nfs/dbraw/zinc/07/97/70/519079770.db2.gz XFGMNILTYRGIHP-NSHDSACASA-N 1 0 357.332 2.922 20 5 FFBDRO C[NH+](C)C1CCN(CCN[C@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)CC1 ZINC000574283946 519080596 /nfs/dbraw/zinc/08/05/96/519080596.db2.gz JAQDRMALPZRKJB-MRXNPFEDSA-N 1 0 374.407 2.814 20 5 FFBDRO [NH3+]C[C@H]1c2ccccc2CCN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000571443701 519098828 /nfs/dbraw/zinc/09/88/28/519098828.db2.gz JWPZRTPPDXQPIL-IBGZPJMESA-N 1 0 366.421 2.867 20 5 FFBDRO COc1ccccc1C1(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000577484536 519105216 /nfs/dbraw/zinc/10/52/16/519105216.db2.gz KGNZPDUHIVIWHG-HNNXBMFYSA-N 1 0 372.421 2.665 20 5 FFBDRO CSC1(CNC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC[NH+](C)CC1 ZINC000580501512 519205935 /nfs/dbraw/zinc/20/59/35/519205935.db2.gz HJFYGRIZSCJANG-UHFFFAOYSA-N 1 0 352.460 2.852 20 5 FFBDRO Cc1cc(S(=O)(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]2)c(C)cc1[N+](=O)[O-] ZINC000583393131 519224690 /nfs/dbraw/zinc/22/46/90/519224690.db2.gz ZXOYYTYNTCMYKR-CABCVRRESA-N 1 0 367.471 2.507 20 5 FFBDRO C[NH+]1CCC2(CCN(C(=O)CCCNc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000590548259 519261287 /nfs/dbraw/zinc/26/12/87/519261287.db2.gz VZFXOMVMTGEQIK-UHFFFAOYSA-N 1 0 360.458 2.731 20 5 FFBDRO CC[NH+]1CCN(CC(C)(C)Nc2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000577817211 519268486 /nfs/dbraw/zinc/26/84/86/519268486.db2.gz BQLOOBGJXZKEDJ-UHFFFAOYSA-N 1 0 357.458 2.971 20 5 FFBDRO COC(=O)c1ccnc(NC[C@@H](c2ccco2)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000590568324 519268731 /nfs/dbraw/zinc/26/87/31/519268731.db2.gz CKMZHMFTZWJBNO-ZDUSSCGKSA-N 1 0 360.370 2.618 20 5 FFBDRO Cc1nc2ccccn2c(=O)c1CC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000580678164 519295833 /nfs/dbraw/zinc/29/58/33/519295833.db2.gz ICCJCTPMVORFJQ-UHFFFAOYSA-N 1 0 364.405 2.512 20 5 FFBDRO O=[N+]([O-])c1ccc(OCC[NH2+]C2CCN(CCC(F)(F)F)CC2)cc1 ZINC000583539285 519299212 /nfs/dbraw/zinc/29/92/12/519299212.db2.gz JJXXMPOIWMJNBK-UHFFFAOYSA-N 1 0 361.364 2.980 20 5 FFBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)CCn1cc(Br)cn1 ZINC000569031421 519340523 /nfs/dbraw/zinc/34/05/23/519340523.db2.gz SLINJXWSGXAPFO-UHFFFAOYSA-N 1 0 369.219 2.565 20 5 FFBDRO CC(C)(C[C@@H]1CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1)C(N)=O ZINC000590747517 519346325 /nfs/dbraw/zinc/34/63/25/519346325.db2.gz COEHBKHLAAMURM-HNNXBMFYSA-N 1 0 363.458 2.977 20 5 FFBDRO C[NH2+][C@@H]1CCCN(C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C1 ZINC000566203829 519366976 /nfs/dbraw/zinc/36/69/76/519366976.db2.gz IKXWUMIFSNMBNP-CYBMUJFWSA-N 1 0 371.387 2.784 20 5 FFBDRO C[NH2+][C@H]1CCCN(C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C1 ZINC000566203830 519367339 /nfs/dbraw/zinc/36/73/39/519367339.db2.gz IKXWUMIFSNMBNP-ZDUSSCGKSA-N 1 0 371.387 2.784 20 5 FFBDRO CC[C@@H]1C[C@@H](C[NH+]2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)CCO1 ZINC000572066664 519425843 /nfs/dbraw/zinc/42/58/43/519425843.db2.gz JJXDRXCDDYWVAJ-JKSUJKDBSA-N 1 0 361.442 2.558 20 5 FFBDRO CC[NH2+]CCCNC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000580950901 519444004 /nfs/dbraw/zinc/44/40/04/519444004.db2.gz HKLOMVMUAYSISH-AWEZNQCLSA-N 1 0 371.441 2.892 20 5 FFBDRO Cc1ccnc([C@H]2CC[N@H+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])C2)c1 ZINC000566429321 519488161 /nfs/dbraw/zinc/48/81/61/519488161.db2.gz SNYLECDLDHUMCB-JKSUJKDBSA-N 1 0 357.410 2.527 20 5 FFBDRO Cc1c(Br)c(=O)n(CC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000566498008 519522031 /nfs/dbraw/zinc/52/20/31/519522031.db2.gz RSKKTOADKZRVJB-PHIMTYICSA-N 1 0 372.263 2.805 20 5 FFBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CC[C@@H](c2ccncc2)C1 ZINC000581141063 519543669 /nfs/dbraw/zinc/54/36/69/519543669.db2.gz UPHDIIGMYOWNSR-OAHLLOKOSA-N 1 0 368.393 2.777 20 5 FFBDRO CO[C@H](C)C[N@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000581161082 519550531 /nfs/dbraw/zinc/55/05/31/519550531.db2.gz ZDYWDAMBGCASAV-SECBINFHSA-N 1 0 364.183 2.666 20 5 FFBDRO Cc1cn2c(n1)[C@H](C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)CCC2 ZINC000575206889 519554081 /nfs/dbraw/zinc/55/40/81/519554081.db2.gz IZWCHFSOKIWCGK-XHSDSOJGSA-N 1 0 358.446 2.947 20 5 FFBDRO COc1c(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000581213264 519578899 /nfs/dbraw/zinc/57/88/99/519578899.db2.gz YBGNYAITGNVNLH-RHSMWYFYSA-N 1 0 369.421 2.996 20 5 FFBDRO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000591306421 519583019 /nfs/dbraw/zinc/58/30/19/519583019.db2.gz WBLVEMMZBQJRLL-NOZJJQNGSA-N 1 0 369.219 2.573 20 5 FFBDRO COc1cc(CN[C@@H](C)C[NH+](C)C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000581260619 519603226 /nfs/dbraw/zinc/60/32/26/519603226.db2.gz JTOZDDKPEJLFMS-JTQLQIEISA-N 1 0 365.352 2.584 20 5 FFBDRO COc1cc(CN2CCCN(c3cc[nH+]cc3)CC2)c([N+](=O)[O-])cc1F ZINC000602848062 519923649 /nfs/dbraw/zinc/92/36/49/519923649.db2.gz ZPVMRHDWKBUFKN-UHFFFAOYSA-N 1 0 360.389 2.850 20 5 FFBDRO C[C@H](NC(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000599909295 519944164 /nfs/dbraw/zinc/94/41/64/519944164.db2.gz XJSNTVSKPIPCPN-VHRBIJSZSA-N 1 0 374.363 2.825 20 5 FFBDRO O=[N+]([O-])c1cccc2ncnc(NC3CC[NH+]([C@H]4CCCC[C@H]4O)CC3)c21 ZINC000612449766 519966579 /nfs/dbraw/zinc/96/65/79/519966579.db2.gz SNNNMKRMQLMYRO-DOTOQJQBSA-N 1 0 371.441 2.718 20 5 FFBDRO CCN(C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000599985356 519985506 /nfs/dbraw/zinc/98/55/06/519985506.db2.gz CYIQGGNSVXRWMK-UHFFFAOYSA-N 1 0 357.357 2.753 20 5 FFBDRO COc1ccccc1[C@H]([NH3+])CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000591681195 519997143 /nfs/dbraw/zinc/99/71/43/519997143.db2.gz WOZRCQBPTVEZAN-MRXNPFEDSA-N 1 0 357.410 2.697 20 5 FFBDRO COc1ccc(COCC[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)cc1 ZINC000602965970 519997186 /nfs/dbraw/zinc/99/71/86/519997186.db2.gz SUEZIUMTFXAOMM-IBGZPJMESA-N 1 0 360.410 2.617 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2nnc(N3CC[NH+](C4CC4)CC3)n2CC2CC2)cc1 ZINC000597409796 520010462 /nfs/dbraw/zinc/01/04/62/520010462.db2.gz SEWWKWIVGKXYBS-UHFFFAOYSA-N 1 0 368.441 2.548 20 5 FFBDRO CN1Cc2ccccc2[C@@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000591757271 520024720 /nfs/dbraw/zinc/02/47/20/520024720.db2.gz HQSBKQMPWYUVAQ-KRWDZBQOSA-N 1 0 354.410 2.700 20 5 FFBDRO Cc1ccc(OC[C@@H](O)C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1 ZINC000591767828 520030239 /nfs/dbraw/zinc/03/02/39/520030239.db2.gz ZXWMUYGLPFPHOS-KRWDZBQOSA-N 1 0 369.421 2.957 20 5 FFBDRO C[C@]1(CO)C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@]1(C)CO ZINC000600204459 520122259 /nfs/dbraw/zinc/12/22/59/520122259.db2.gz PSDXLGGUHTXATR-KDURUIRLSA-N 1 0 360.410 2.668 20 5 FFBDRO CCOc1cc(NC(=O)NCC[N@H+](C)C(C)C)c([N+](=O)[O-])cc1OCC ZINC000608795341 520132451 /nfs/dbraw/zinc/13/24/51/520132451.db2.gz QMDYUNMOQVYSSQ-UHFFFAOYSA-N 1 0 368.434 2.854 20 5 FFBDRO CC[C@H]1C[N@H+](C)CCCN1C(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000597606073 520132664 /nfs/dbraw/zinc/13/26/64/520132664.db2.gz UGJOWSRXPGSRPW-OCCSQVGLSA-N 1 0 369.849 2.958 20 5 FFBDRO C[NH+](C)C1CCC2(CC1)CCN(C(=O)c1cccc([N+](=O)[O-])c1N)CC2 ZINC000597703379 520186986 /nfs/dbraw/zinc/18/69/86/520186986.db2.gz FOHHAPJBIKINMO-UHFFFAOYSA-N 1 0 360.458 2.904 20 5 FFBDRO Cc1c(C(=O)NCCc2ccc(OCC[NH+](C)C)cc2)cccc1[N+](=O)[O-] ZINC000609182363 520223173 /nfs/dbraw/zinc/22/31/73/520223173.db2.gz TWQSSXJZPWNVHD-UHFFFAOYSA-N 1 0 371.437 2.816 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](C(=O)NCc2ccccc2)C1 ZINC000592155634 520232326 /nfs/dbraw/zinc/23/23/26/520232326.db2.gz RASDWRULICACTF-INIZCTEOSA-N 1 0 369.421 2.742 20 5 FFBDRO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CS1(=O)=O ZINC000594973780 520236481 /nfs/dbraw/zinc/23/64/81/520236481.db2.gz FDPIRARDCOBRIZ-TZMCWYRMSA-N 1 0 364.423 2.910 20 5 FFBDRO COc1cc(C[NH2+]CC2(C(=O)OC(C)(C)C)CCC2)c([N+](=O)[O-])cc1O ZINC000594995637 520248176 /nfs/dbraw/zinc/24/81/76/520248176.db2.gz RLEXGKDOUUJNFA-UHFFFAOYSA-N 1 0 366.414 2.911 20 5 FFBDRO CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000592183117 520250447 /nfs/dbraw/zinc/25/04/47/520250447.db2.gz CYFWGPRXDQOUMT-NHYWBVRUSA-N 1 0 359.348 2.965 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC3(CC=CC3)[C@@H]2c2ccccc2)c1 ZINC000592188895 520254718 /nfs/dbraw/zinc/25/47/18/520254718.db2.gz UWPQXAWUOYXXKM-MSOLQXFVSA-N 1 0 354.410 2.546 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000595007805 520254781 /nfs/dbraw/zinc/25/47/81/520254781.db2.gz KVZIWTZFRXWODD-HUUCEWRRSA-N 1 0 363.458 2.755 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000595027231 520261812 /nfs/dbraw/zinc/26/18/12/520261812.db2.gz QSXAAFLVZDSKLK-UONOGXRCSA-N 1 0 359.430 2.657 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H]1CCC2(CCOCC2)[C@H]1O ZINC000595038293 520265059 /nfs/dbraw/zinc/26/50/59/520265059.db2.gz IUQMBTNGEUWONI-DEYYWGMASA-N 1 0 364.442 2.822 20 5 FFBDRO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000600470964 520278896 /nfs/dbraw/zinc/27/88/96/520278896.db2.gz QGPMQYSPWXFOLQ-LBPRGKRZSA-N 1 0 353.369 2.549 20 5 FFBDRO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000600470963 520279288 /nfs/dbraw/zinc/27/92/88/520279288.db2.gz QGPMQYSPWXFOLQ-GFCCVEGCSA-N 1 0 353.369 2.549 20 5 FFBDRO O=C1N(CC[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C[C@H]2CCCCN12 ZINC000595098069 520292662 /nfs/dbraw/zinc/29/26/62/520292662.db2.gz BQAFTXVDHUWFDR-QZTJIDSGSA-N 1 0 372.469 2.796 20 5 FFBDRO COc1ccc(C[NH+](C)C)cc1NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000603589963 520317678 /nfs/dbraw/zinc/31/76/78/520317678.db2.gz UGDNNYSEPFYCJW-UHFFFAOYSA-N 1 0 359.382 2.683 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000597925400 520326474 /nfs/dbraw/zinc/32/64/74/520326474.db2.gz OMRXELAHDOEVAO-INIZCTEOSA-N 1 0 374.485 2.800 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000609509298 520337005 /nfs/dbraw/zinc/33/70/05/520337005.db2.gz NMUUMCBCYDROIU-RISCZKNCSA-N 1 0 367.833 2.711 20 5 FFBDRO CCN(C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])[C@H]1CC[N@H+](C)C1 ZINC000597946614 520344630 /nfs/dbraw/zinc/34/46/30/520344630.db2.gz QPKKVLYJOVBYPM-HNNXBMFYSA-N 1 0 354.410 2.823 20 5 FFBDRO COc1cc(-c2nc([C@H]3CCC[NH2+]3)no2)c([N+](=O)[O-])cc1OC(F)F ZINC000592357115 520347671 /nfs/dbraw/zinc/34/76/71/520347671.db2.gz PXEVRJMUAFCLMB-MRVPVSSYSA-N 1 0 356.285 2.679 20 5 FFBDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000609545878 520353463 /nfs/dbraw/zinc/35/34/63/520353463.db2.gz QZCVDDBAURIGFN-AWEZNQCLSA-N 1 0 369.487 2.774 20 5 FFBDRO COc1ccc(CC(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000595223791 520357999 /nfs/dbraw/zinc/35/79/99/520357999.db2.gz AUEYJYAHWNAYHC-JKSUJKDBSA-N 1 0 361.442 2.527 20 5 FFBDRO COc1cc(C(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)cc([N+](=O)[O-])c1C ZINC000595226135 520361228 /nfs/dbraw/zinc/36/12/28/520361228.db2.gz QGOPXGUEBIPPMH-GOEBONIOSA-N 1 0 361.442 2.906 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000595233472 520365066 /nfs/dbraw/zinc/36/50/66/520365066.db2.gz ODNIRNYZIULNMY-AWEZNQCLSA-N 1 0 362.430 2.847 20 5 FFBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000613225019 520397325 /nfs/dbraw/zinc/39/73/25/520397325.db2.gz QOBYMBJFXUKEKU-KRWDZBQOSA-N 1 0 368.437 2.907 20 5 FFBDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000609731664 520416361 /nfs/dbraw/zinc/41/63/61/520416361.db2.gz HOWOVHWYTCSVTD-CYBMUJFWSA-N 1 0 369.849 2.817 20 5 FFBDRO C[C@H]1CC[N@H+](C)CCN1C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000609731937 520416427 /nfs/dbraw/zinc/41/64/27/520416427.db2.gz QLADZQFQJRRKLK-LBPRGKRZSA-N 1 0 355.822 2.570 20 5 FFBDRO CO[C@@H](C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)C1CCCC1 ZINC000595378366 520438085 /nfs/dbraw/zinc/43/80/85/520438085.db2.gz SFULGVRZHWKROD-SFHVURJKSA-N 1 0 361.442 2.558 20 5 FFBDRO CC1(C[NH+]2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)COC1 ZINC000609851329 520456651 /nfs/dbraw/zinc/45/66/51/520456651.db2.gz NTIIFCPLMMMELG-UHFFFAOYSA-N 1 0 359.348 2.772 20 5 FFBDRO O=C(NCCC[NH2+]C1CCCCC1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000609852299 520456784 /nfs/dbraw/zinc/45/67/84/520456784.db2.gz AHFCAFDEKOESGF-UHFFFAOYSA-N 1 0 371.441 2.823 20 5 FFBDRO CCOc1cc(NC(=O)N[C@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])cc1OCC ZINC000604230120 520495406 /nfs/dbraw/zinc/49/54/06/520495406.db2.gz SVJBGNIQYHEGND-LBPRGKRZSA-N 1 0 366.418 2.608 20 5 FFBDRO O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000598220481 520503303 /nfs/dbraw/zinc/50/33/03/520503303.db2.gz PSRPJZQBFHDQMI-LBPRGKRZSA-N 1 0 357.414 2.608 20 5 FFBDRO CCC[N@@H+]1CC[C@@H](NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000598341915 520564167 /nfs/dbraw/zinc/56/41/67/520564167.db2.gz IFQMAXHRPLDISZ-GFCCVEGCSA-N 1 0 357.863 2.941 20 5 FFBDRO CCC[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)C1 ZINC000598343161 520566716 /nfs/dbraw/zinc/56/67/16/520566716.db2.gz TWJLOFARBBCURJ-NSHDSACASA-N 1 0 370.247 2.880 20 5 FFBDRO Cn1c(C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000604472359 520570834 /nfs/dbraw/zinc/57/08/34/520570834.db2.gz SRTKLUGZJMRHNO-INIZCTEOSA-N 1 0 356.426 2.575 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@H]2c2ccc(O)cc2)c1 ZINC000604484454 520575530 /nfs/dbraw/zinc/57/55/30/520575530.db2.gz OXEBWQAPJBAMPL-HKUYNNGSSA-N 1 0 358.394 2.877 20 5 FFBDRO CN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H](CO)Cc1ccccc1 ZINC000595599819 520582983 /nfs/dbraw/zinc/58/29/83/520582983.db2.gz ZMHVUMRXVFVKKX-QGZVFWFLSA-N 1 0 368.393 2.680 20 5 FFBDRO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000601125233 520649335 /nfs/dbraw/zinc/64/93/35/520649335.db2.gz YPHNCXDQWWCMGL-LLVKDONJSA-N 1 0 361.368 2.515 20 5 FFBDRO C[C@H]1c2ccccc2C[C@H]1[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000595703890 520662237 /nfs/dbraw/zinc/66/22/37/520662237.db2.gz BJBBBIHORQQTJA-SCLBCKFNSA-N 1 0 351.406 2.802 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@]2(C)CCCC[C@@H]2C(=O)OC)c1 ZINC000593019870 520687573 /nfs/dbraw/zinc/68/75/73/520687573.db2.gz RRWIVFLRUNGJQT-KDOFPFPSSA-N 1 0 364.398 2.593 20 5 FFBDRO C[NH+](C)CCC[C@@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CCO1 ZINC000598539324 520689852 /nfs/dbraw/zinc/68/98/52/520689852.db2.gz HFTYHAQOSWXLFW-OAHLLOKOSA-N 1 0 361.398 2.524 20 5 FFBDRO CC1([NH+]2CCCC2)CCN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CC1 ZINC000601216089 520691019 /nfs/dbraw/zinc/69/10/19/520691019.db2.gz LXIZLSMESPQZAA-UHFFFAOYSA-N 1 0 372.469 2.942 20 5 FFBDRO COc1cc(C[NH+]2C[C@@H](C)C(O)[C@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000595743816 520691831 /nfs/dbraw/zinc/69/18/31/520691831.db2.gz RVUQHGYOGUYCMH-GHMZBOCLSA-N 1 0 374.384 2.696 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@H]2CCN(C)[C@H]2c2ccccc2)c1 ZINC000593031406 520695166 /nfs/dbraw/zinc/69/51/66/520695166.db2.gz VZWVNRARLRIRBC-HKUYNNGSSA-N 1 0 369.421 2.916 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@H]2CCCCC[C@H]2C(=O)OC)c1 ZINC000593031491 520695304 /nfs/dbraw/zinc/69/53/04/520695304.db2.gz GYKABTLIIWJJSI-CABCVRRESA-N 1 0 364.398 2.593 20 5 FFBDRO CC(C)c1ccc(C[NH2+][C@H]2CCN(C3CCOCC3)C2=O)cc1[N+](=O)[O-] ZINC000610479691 520708642 /nfs/dbraw/zinc/70/86/42/520708642.db2.gz RFXAWMZCHHRCGO-KRWDZBQOSA-N 1 0 361.442 2.588 20 5 FFBDRO Cn1cc(C[C@H]2CCC[C@H]2[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)cn1 ZINC000595772434 520712322 /nfs/dbraw/zinc/71/23/22/520712322.db2.gz SSIRWKCVNDLLFC-UKRRQHHQSA-N 1 0 355.398 2.971 20 5 FFBDRO CC[C@H]1COC(C)(C)C[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000593056653 520713836 /nfs/dbraw/zinc/71/38/36/520713836.db2.gz MNXHFGHDZQMWFB-ZDUSSCGKSA-N 1 0 365.430 2.821 20 5 FFBDRO COc1cc(C[NH2+][C@H]2CCC[C@H]2Cc2cnn(C)c2)c([N+](=O)[O-])cc1F ZINC000595774016 520714868 /nfs/dbraw/zinc/71/48/68/520714868.db2.gz ZDLLPEUQIHXBON-BBRMVZONSA-N 1 0 362.405 2.977 20 5 FFBDRO COc1cc(C[NH2+][C@@H]2C[C@H](O)C23CCC3)c([N+](=O)[O-])cc1OCC(F)F ZINC000595781562 520720248 /nfs/dbraw/zinc/72/02/48/520720248.db2.gz MJVYTJMZUCCMSY-CABCVRRESA-N 1 0 372.368 2.640 20 5 FFBDRO C[NH+](C)CCCOc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2N)cc1 ZINC000610521565 520724891 /nfs/dbraw/zinc/72/48/91/520724891.db2.gz MJYSNIOOJOPWLF-UHFFFAOYSA-N 1 0 358.398 2.760 20 5 FFBDRO COC(=O)c1ccnc(NCc2cccc(C[NH+]3CCCC3)c2)c1[N+](=O)[O-] ZINC000598587930 520728899 /nfs/dbraw/zinc/72/88/99/520728899.db2.gz WYUXHVUWYURUOL-UHFFFAOYSA-N 1 0 370.409 2.984 20 5 FFBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCCC[C@@H]1Cc1ccccc1F ZINC000593080088 520729410 /nfs/dbraw/zinc/72/94/10/520729410.db2.gz DUAHSXIPFNYOMW-MRXNPFEDSA-N 1 0 359.401 2.993 20 5 FFBDRO C[NH+](C)CCN(Cc1cccs1)C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593088175 520734601 /nfs/dbraw/zinc/73/46/01/520734601.db2.gz VYUPBUWROICKIM-UHFFFAOYSA-N 1 0 365.430 2.928 20 5 FFBDRO Cc1ccc(S(=O)(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)c(C)c1[N+](=O)[O-] ZINC000598608897 520740967 /nfs/dbraw/zinc/74/09/67/520740967.db2.gz UKZDAGCIDXLHPU-AWEZNQCLSA-N 1 0 369.487 2.562 20 5 FFBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CCC([N@@H+]3CC[C@H](O)C3)CC2)c1 ZINC000595864298 520777240 /nfs/dbraw/zinc/77/72/40/520777240.db2.gz SEQNYZGNVSXFJL-HNNXBMFYSA-N 1 0 373.375 2.645 20 5 FFBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000595900408 520805911 /nfs/dbraw/zinc/80/59/11/520805911.db2.gz FMNXDZBHBZAXHZ-GOEBONIOSA-N 1 0 360.458 2.633 20 5 FFBDRO C[NH+](C)CCC[C@H]1CN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CCO1 ZINC000595905818 520811857 /nfs/dbraw/zinc/81/18/57/520811857.db2.gz GOILXOJEQIMXQU-SFHVURJKSA-N 1 0 374.441 2.792 20 5 FFBDRO C[C@@H]1C[N@H+](C)[C@H](C)[C@H](C)N1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000593188464 520812447 /nfs/dbraw/zinc/81/24/47/520812447.db2.gz IAVSDAZCYPKBCI-MXWKQRLJSA-N 1 0 370.247 2.910 20 5 FFBDRO COCC1([NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)CCCCC1 ZINC000595910139 520814421 /nfs/dbraw/zinc/81/44/21/520814421.db2.gz QUSZLAHXDIUXCC-UHFFFAOYSA-N 1 0 365.430 2.871 20 5 FFBDRO CCOc1ccc(NC(=O)C[NH2+]C2(COC)CCCCC2)c([N+](=O)[O-])c1 ZINC000595910228 520814647 /nfs/dbraw/zinc/81/46/47/520814647.db2.gz RVPRSBTYLKGUPG-UHFFFAOYSA-N 1 0 365.430 2.871 20 5 FFBDRO CCC1([NH+](C)C)CCN(S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])CC1 ZINC000601503277 520815856 /nfs/dbraw/zinc/81/58/56/520815856.db2.gz DLZHARZYSFUCEM-UHFFFAOYSA-N 1 0 369.487 2.707 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C3(CCO)CCOCC3)cs2)c1 ZINC000610771613 520837078 /nfs/dbraw/zinc/83/70/78/520837078.db2.gz AOKWMZIEOUQJSR-UHFFFAOYSA-N 1 0 363.439 2.740 20 5 FFBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595960939 520837584 /nfs/dbraw/zinc/83/75/84/520837584.db2.gz GTTXNAAFGKYNGD-INIZCTEOSA-N 1 0 361.442 2.602 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000601556436 520839867 /nfs/dbraw/zinc/83/98/67/520839867.db2.gz LLRRUBCNYRBQMJ-YGRLFVJLSA-N 1 0 368.231 2.571 20 5 FFBDRO O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000601559604 520841377 /nfs/dbraw/zinc/84/13/77/520841377.db2.gz UZAVXFUKHRLOCZ-GWCFXTLKSA-N 1 0 357.332 2.828 20 5 FFBDRO C[NH2+]C[C@H](C)NC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000595983596 520844918 /nfs/dbraw/zinc/84/49/18/520844918.db2.gz PSQJKZSHFVUSCQ-QWHCGFSZSA-N 1 0 357.414 2.501 20 5 FFBDRO COc1cc(C[NH+](C)C)ccc1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000601622112 520869786 /nfs/dbraw/zinc/86/97/86/520869786.db2.gz RNODYDRSVCCELX-UHFFFAOYSA-N 1 0 359.382 2.683 20 5 FFBDRO O=C(CC[NH2+][C@@H]1[C@H]2Cc3cc(F)ccc3[C@@H]12)Nc1ccccc1[N+](=O)[O-] ZINC000596065756 520890586 /nfs/dbraw/zinc/89/05/86/520890586.db2.gz JYURZZAOAGWRHO-GDIGMMSISA-N 1 0 355.369 2.990 20 5 FFBDRO COc1cc(N2CC[NH+](CC3CCOCC3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596129268 520928558 /nfs/dbraw/zinc/92/85/58/520928558.db2.gz FGNUCTOZZWTODY-UHFFFAOYSA-N 1 0 369.849 2.805 20 5 FFBDRO Cc1c(NC(=O)N[C@@]2(C)CC[NH2+]C2)cc(Br)cc1[N+](=O)[O-] ZINC000596127418 520929593 /nfs/dbraw/zinc/92/95/93/520929593.db2.gz ZGHUZBZDEBQNRN-ZDUSSCGKSA-N 1 0 357.208 2.539 20 5 FFBDRO CC[NH+](CC)[C@@H]1CCN(c2ccc([N+](=O)[O-])c(C(=O)OC)c2Cl)C1 ZINC000596141615 520936498 /nfs/dbraw/zinc/93/64/98/520936498.db2.gz HXNGICFSAPMLKO-LLVKDONJSA-N 1 0 355.822 2.955 20 5 FFBDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1c1ccnc2cc([N+](=O)[O-])ccc21 ZINC000593467651 521013227 /nfs/dbraw/zinc/01/32/27/521013227.db2.gz CSMXBESHRDNJSU-CQSZACIVSA-N 1 0 356.426 2.833 20 5 FFBDRO Cn1ccnc1[C@@H](NC[C@@H]1CCCC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000599070069 521014789 /nfs/dbraw/zinc/01/47/89/521014789.db2.gz JWYAVICKUCSCLR-YJBOKZPZSA-N 1 0 357.458 2.739 20 5 FFBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CN(Cc3ccncc3)CCO2)cc1[N+](=O)[O-] ZINC000599086955 521024376 /nfs/dbraw/zinc/02/43/76/521024376.db2.gz CXTKXNATZUHIOF-QFBILLFUSA-N 1 0 370.453 2.850 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C3CCOCC3)CC2)nc1-c1ccccc1 ZINC000611182403 521028212 /nfs/dbraw/zinc/02/82/12/521028212.db2.gz ZLRMNRADORHZMO-UHFFFAOYSA-N 1 0 368.437 2.958 20 5 FFBDRO Cc1ccc(S(=O)(=O)N2CCCc3cccc(C[NH3+])c32)cc1[N+](=O)[O-] ZINC000599102655 521033416 /nfs/dbraw/zinc/03/34/16/521033416.db2.gz OCPLTJKXZMRXQM-UHFFFAOYSA-N 1 0 361.423 2.503 20 5 FFBDRO C[C@@](O)(C[C@H](O)C[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C1CC1 ZINC000601966129 521045429 /nfs/dbraw/zinc/04/54/29/521045429.db2.gz PZOBNKWUYGXIKI-LSDHHAIUSA-N 1 0 362.348 2.615 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ccc(CN3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)o2)cc1 ZINC000611268381 521069408 /nfs/dbraw/zinc/06/94/08/521069408.db2.gz DBSUJMUYCVDXHA-MOPGFXCFSA-N 1 0 371.437 2.886 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)ccc1NC[C@@H]1CN(Cc2ccncc2)CCO1 ZINC000599183453 521075839 /nfs/dbraw/zinc/07/58/39/521075839.db2.gz OARBUFOZWUXGAU-OAHLLOKOSA-N 1 0 362.817 2.956 20 5 FFBDRO CS(=O)(=O)c1ccc(N[C@H]2CC[N@@H+](C3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000596479009 521092361 /nfs/dbraw/zinc/09/23/61/521092361.db2.gz RNAGXONTKHYTRW-ZDUSSCGKSA-N 1 0 367.471 2.817 20 5 FFBDRO O=C(NCC1CC[NH+](CC2CC2)CC1)Nc1ccc([N+](=O)[O-])cc1F ZINC000596496397 521101146 /nfs/dbraw/zinc/10/11/46/521101146.db2.gz DABLCNJCDRAMEQ-UHFFFAOYSA-N 1 0 350.394 2.977 20 5 FFBDRO Cc1cc(N2CC[C@H](CN3CCCC3=O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000596524949 521115418 /nfs/dbraw/zinc/11/54/18/521115418.db2.gz IBLRNHTYGGXPDD-AWEZNQCLSA-N 1 0 354.410 2.900 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2csc(N3CCC([N@@H+]4CC[C@H](O)C4)CC3)n2)cc1 ZINC000596539287 521121889 /nfs/dbraw/zinc/12/18/89/521121889.db2.gz OBZXUJRICGASOG-INIZCTEOSA-N 1 0 374.466 2.754 20 5 FFBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000596558604 521131062 /nfs/dbraw/zinc/13/10/62/521131062.db2.gz RUEOZYSTKXPPRS-MRXNPFEDSA-N 1 0 354.410 2.641 20 5 FFBDRO O=[N+]([O-])c1cncc(Br)c1NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000596569704 521136506 /nfs/dbraw/zinc/13/65/06/521136506.db2.gz CQZXFQLNJGILRT-GFCCVEGCSA-N 1 0 369.263 2.708 20 5 FFBDRO CC[C@H]([NH2+]CC(=O)NC[C@@H]1Cc2ccccc2O1)c1cccc([N+](=O)[O-])c1 ZINC000611403045 521138432 /nfs/dbraw/zinc/13/84/32/521138432.db2.gz HLBBKLWOYAAZFH-ROUUACIJSA-N 1 0 369.421 2.755 20 5 FFBDRO C[C@@H](CO)C1CC[NH+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000593677260 521148322 /nfs/dbraw/zinc/14/83/22/521148322.db2.gz WGVNUCGRFGFSHA-AWEZNQCLSA-N 1 0 358.442 2.836 20 5 FFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCc3nnc(N4CCCC4)cc3C2)cc1 ZINC000596619182 521169876 /nfs/dbraw/zinc/16/98/76/521169876.db2.gz SKGYPAVFDJJWGI-UHFFFAOYSA-N 1 0 353.426 2.586 20 5 FFBDRO Cn1c(=O)ccc2c1CCC[C@H]2[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000593725909 521177764 /nfs/dbraw/zinc/17/77/64/521177764.db2.gz ZERKVPYDFVXMLH-VYDXJSESSA-N 1 0 371.441 2.641 20 5 FFBDRO O=C([C@@H]1CCC[N@@H+]1Cc1ccccc1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000611484799 521180880 /nfs/dbraw/zinc/18/08/80/521180880.db2.gz MVFYFVGNAGOUTQ-IBGZPJMESA-N 1 0 366.421 2.539 20 5 FFBDRO CC[NH+](CC)CCOc1ccccc1NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000602220955 521218147 /nfs/dbraw/zinc/21/81/47/521218147.db2.gz IRSOYTDZHYYANW-UHFFFAOYSA-N 1 0 360.414 2.906 20 5 FFBDRO COC(=O)c1cnc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC000599433183 521219531 /nfs/dbraw/zinc/21/95/31/521219531.db2.gz CTHLXYIJOQDMQC-AWEZNQCLSA-N 1 0 356.382 2.551 20 5 FFBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599437759 521223751 /nfs/dbraw/zinc/22/37/51/521223751.db2.gz LXFDJWFJGDSTSG-NSHDSACASA-N 1 0 370.247 2.962 20 5 FFBDRO C[N@@H+]1CCCC12CCN(C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)CC2 ZINC000611660716 521269812 /nfs/dbraw/zinc/26/98/12/521269812.db2.gz MEXDQPGPCJUZGQ-UHFFFAOYSA-N 1 0 369.368 2.897 20 5 FFBDRO C[NH+](C)CC[C@H](N)C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000593910387 521286042 /nfs/dbraw/zinc/28/60/42/521286042.db2.gz VLALDMFYCIZFHX-KRWDZBQOSA-N 1 0 358.398 2.605 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000593916288 521291348 /nfs/dbraw/zinc/29/13/48/521291348.db2.gz PJJWKDZJIFENKV-OBJOEFQTSA-N 1 0 369.849 2.991 20 5 FFBDRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000593919275 521292031 /nfs/dbraw/zinc/29/20/31/521292031.db2.gz PRIHYWHCOZCYPY-VNQPRFMTSA-N 1 0 367.833 2.749 20 5 FFBDRO C[NH+](C)CCN(Cc1ccccn1)c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611711439 521292138 /nfs/dbraw/zinc/29/21/38/521292138.db2.gz NHYGOUBWKZIDEX-UHFFFAOYSA-N 1 0 352.398 2.501 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@]2(CO)CCCC(C)(C)C2)c1 ZINC000599594852 521318068 /nfs/dbraw/zinc/31/80/68/521318068.db2.gz MIKSTIQUOQCSBG-GOSISDBHSA-N 1 0 350.415 2.802 20 5 FFBDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000599606958 521328452 /nfs/dbraw/zinc/32/84/52/521328452.db2.gz RZZHRVBQHNFFSN-WDEREUQCSA-N 1 0 371.235 2.928 20 5 FFBDRO Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H]2c2ccc(=O)[nH]n2)cccc1[N+](=O)[O-] ZINC000599642463 521353634 /nfs/dbraw/zinc/35/36/34/521353634.db2.gz VAGMHOWMBUOHKW-MRXNPFEDSA-N 1 0 371.397 2.565 20 5 FFBDRO Cc1c(NC(=O)N(C)CC2C[NH+](C)C2)cc(Br)cc1[N+](=O)[O-] ZINC000596887595 521357011 /nfs/dbraw/zinc/35/70/11/521357011.db2.gz FRMWHXWRUGYQKF-UHFFFAOYSA-N 1 0 371.235 2.691 20 5 FFBDRO COC(=O)[C@](C)(NCC[NH+]1C[C@@H](C)C[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000599651153 521361434 /nfs/dbraw/zinc/36/14/34/521361434.db2.gz HLBHHIAMIPDAES-YZVOILCLSA-N 1 0 363.458 2.551 20 5 FFBDRO CC[C@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)[C@@H]1CCCCO1 ZINC000594045537 521370445 /nfs/dbraw/zinc/37/04/45/521370445.db2.gz ZGFBHQWZUFWDJV-YOEHRIQHSA-N 1 0 365.430 2.869 20 5 FFBDRO COc1ccc(OC)c(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1 ZINC000602508137 521386722 /nfs/dbraw/zinc/38/67/22/521386722.db2.gz TUZOUOOXRAHJNV-UHFFFAOYSA-N 1 0 372.425 2.766 20 5 FFBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]C3CCN(Cc4ccncc4)CC3)nc2c1 ZINC000602520220 521391608 /nfs/dbraw/zinc/39/16/08/521391608.db2.gz LGNVEAABVBFDLH-UHFFFAOYSA-N 1 0 367.409 2.885 20 5 FFBDRO CO[C@@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccccc1 ZINC000602518160 521391810 /nfs/dbraw/zinc/39/18/10/521391810.db2.gz LEXBTBXVNZEBOK-SFHVURJKSA-N 1 0 356.426 2.936 20 5 FFBDRO [NH3+]C[C@@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[C@@H]1C(F)(F)F ZINC000602542104 521402113 /nfs/dbraw/zinc/40/21/13/521402113.db2.gz TUBYKOARRSBODC-KCJUWKMLSA-N 1 0 365.739 2.848 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@H](CCO)c3ccccc3)CC2)cn1 ZINC000602550392 521408238 /nfs/dbraw/zinc/40/82/38/521408238.db2.gz CDEHEQOYRWGJJQ-KRWDZBQOSA-N 1 0 370.453 2.714 20 5 FFBDRO O=C(c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000602593253 521428467 /nfs/dbraw/zinc/42/84/67/521428467.db2.gz WEKJMMMLZQWBIB-CALCHBBNSA-N 1 0 366.421 2.783 20 5 FFBDRO CCO[C@H]1COCC[C@H]1[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602612617 521437213 /nfs/dbraw/zinc/43/72/13/521437213.db2.gz HZBXQZNYOGHOAA-MNOVXSKESA-N 1 0 365.249 2.702 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@H]3CCCCN3C3CC3)CC2)cn1 ZINC000602634642 521449699 /nfs/dbraw/zinc/44/96/99/521449699.db2.gz UGIBCYCARPPSGP-GOSISDBHSA-N 1 0 359.474 2.565 20 5 FFBDRO CC(=O)N1CCC[C@H](C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602637935 521452195 /nfs/dbraw/zinc/45/21/95/521452195.db2.gz KOWPEXQDFOUZSM-GFCCVEGCSA-N 1 0 359.348 2.962 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCc3ccc4c[nH]nc4c3)CC2)cn1 ZINC000602650255 521457947 /nfs/dbraw/zinc/45/79/47/521457947.db2.gz CWXSRPNOYNMISI-UHFFFAOYSA-N 1 0 366.425 2.667 20 5 FFBDRO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594198648 521465036 /nfs/dbraw/zinc/46/50/36/521465036.db2.gz UGOKFLHPTHOFOL-HZPDHXFCSA-N 1 0 353.369 2.549 20 5 FFBDRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000594198713 521465083 /nfs/dbraw/zinc/46/50/83/521465083.db2.gz VFPGQRSUYZPBKF-GOEBONIOSA-N 1 0 369.425 2.527 20 5 FFBDRO C[C@@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C(=O)OC(C)(C)C ZINC000602704538 521487649 /nfs/dbraw/zinc/48/76/49/521487649.db2.gz GXHWRXQNGBQVLF-ZDUSSCGKSA-N 1 0 364.446 2.526 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCc3noc4ccccc34)CC2)cn1 ZINC000602707386 521489196 /nfs/dbraw/zinc/48/91/96/521489196.db2.gz UXYSIQCDGWNKRB-UHFFFAOYSA-N 1 0 367.409 2.932 20 5 FFBDRO CN(C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000597093457 521499798 /nfs/dbraw/zinc/49/97/98/521499798.db2.gz VZTVLDMENGHCNT-FOSCPWQOSA-N 1 0 367.837 2.919 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(OCCc2ccccc2)CC1 ZINC000602767294 521521253 /nfs/dbraw/zinc/52/12/53/521521253.db2.gz DCJXFJLEHOETDH-UHFFFAOYSA-N 1 0 358.442 2.823 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000602783302 521528951 /nfs/dbraw/zinc/52/89/51/521528951.db2.gz OJYWCKPVCVCCKK-FNODVLLQSA-N 1 0 350.444 2.530 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(c2c[nH]c3ncccc23)CC1 ZINC000602791998 521534540 /nfs/dbraw/zinc/53/45/40/521534540.db2.gz ZHOLMHHWJSBIAA-UHFFFAOYSA-N 1 0 354.414 2.856 20 5 FFBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594284312 521537217 /nfs/dbraw/zinc/53/72/17/521537217.db2.gz VQXCHRPTSIPMBW-FUHWJXTLSA-N 1 0 360.458 2.796 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000602804516 521541672 /nfs/dbraw/zinc/54/16/72/521541672.db2.gz IWKMNVLLIXDYKB-GOSISDBHSA-N 1 0 358.398 2.612 20 5 FFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000615835652 521551447 /nfs/dbraw/zinc/55/14/47/521551447.db2.gz XVAUGACNKLJICN-QUHSPFQSSA-N 1 0 358.486 2.710 20 5 FFBDRO CCn1nc2c(cc1=O)C[N@@H+](C/C(C)=C\c1cccc([N+](=O)[O-])c1)CC2 ZINC000615835204 521551908 /nfs/dbraw/zinc/55/19/08/521551908.db2.gz ZLUQZPUMJBGGSG-ZROIWOOFSA-N 1 0 354.410 2.633 20 5 FFBDRO C[C@@](O)(CO)C[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000619464225 521582272 /nfs/dbraw/zinc/58/22/72/521582272.db2.gz ATAZVRBKNREGPJ-KRWDZBQOSA-N 1 0 366.801 2.873 20 5 FFBDRO C[NH2+]C1(CNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)CCC1 ZINC000630002408 522577918 /nfs/dbraw/zinc/57/79/18/522577918.db2.gz WVXGPXIRJBUASB-UHFFFAOYSA-N 1 0 371.387 2.831 20 5 FFBDRO COC(=O)C1CC[NH+](CCCNc2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000473508387 561051447 /nfs/dbraw/zinc/05/14/47/561051447.db2.gz ATYBDIHMWNKEEF-UHFFFAOYSA-N 1 0 372.425 2.830 20 5 FFBDRO CC[NH+](CC)[C@@H](CNc1ccc([N+](=O)[O-])c(-c2nn[nH]n2)c1)CC(C)C ZINC000825406017 607450123 /nfs/dbraw/zinc/45/01/23/607450123.db2.gz GXJPWOJHISCNPE-CQSZACIVSA-N 1 0 361.450 2.943 20 5 FFBDRO COc1ccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)cc1-c1nn[nH]n1 ZINC000826201683 608286425 /nfs/dbraw/zinc/28/64/25/608286425.db2.gz BEOWHSQQYOHDJZ-LBPRGKRZSA-N 1 0 368.397 2.943 20 5 FFBDRO C[C@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1cccc(-c2nn[nH]n2)c1 ZINC000824598730 608484690 /nfs/dbraw/zinc/48/46/90/608484690.db2.gz HXZSDXIYDCWUDF-LBPRGKRZSA-N 1 0 354.370 2.505 20 5 FFBDRO Cc1ccc([C@@H](C)[NH2+]CCOc2ccccc2-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000826283140 608553956 /nfs/dbraw/zinc/55/39/56/608553956.db2.gz LKZAGNZMXFTRIX-CYBMUJFWSA-N 1 0 368.397 2.813 20 5 FFBDRO Nc1cc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)ncc1[N+](=O)[O-] ZINC001164627834 719083411 /nfs/dbraw/zinc/08/34/11/719083411.db2.gz RBRFFDBINKJHQH-MAUKXSAKSA-N 1 0 353.426 2.673 20 5 FFBDRO COC(=O)c1cnc(N2CCCC[C@@H]2CC[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC001165048944 721968117 /nfs/dbraw/zinc/96/81/17/721968117.db2.gz PTODDAZAYVHXQN-OAHLLOKOSA-N 1 0 362.430 2.621 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)c(Cl)nc1N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001164967270 722069682 /nfs/dbraw/zinc/06/96/82/722069682.db2.gz LPIXRUQFPQNBIP-PHIMTYICSA-N 1 0 373.240 2.596 20 5 FFBDRO COCCO[C@]12CCC[C@@]1([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)CCO2 ZINC000898001669 735302176 /nfs/dbraw/zinc/30/21/76/735302176.db2.gz PSZFBPSVJSTZCW-QZTJIDSGSA-N 1 0 350.415 2.695 20 5 FFBDRO Cn1cc([C@]2(C[NH2+]Cc3ccc([N+](=O)[O-])cc3Cl)CCCO2)cn1 ZINC000898056341 735308360 /nfs/dbraw/zinc/30/83/60/735308360.db2.gz FJFZHPWNNNNJEL-MRXNPFEDSA-N 1 0 350.806 2.777 20 5 FFBDRO CCCN(CC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000041678274 727945518 /nfs/dbraw/zinc/94/55/18/727945518.db2.gz AIUSCHQLEIUZMP-UHFFFAOYSA-N 1 0 358.236 2.771 20 5 FFBDRO C[NH+](C)CCN(Cc1cccs1)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000084251343 728418707 /nfs/dbraw/zinc/41/87/07/728418707.db2.gz AXEWEXNSMPRBNP-UHFFFAOYSA-N 1 0 351.403 2.999 20 5 FFBDRO CCC1(CO)CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000129598197 728712176 /nfs/dbraw/zinc/71/21/76/728712176.db2.gz VZLUUUKDPBWWAU-UHFFFAOYSA-N 1 0 353.394 2.547 20 5 FFBDRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000130213972 728715913 /nfs/dbraw/zinc/71/59/13/728715913.db2.gz GAZQGQJZHNTSRE-CYBMUJFWSA-N 1 0 357.332 2.828 20 5 FFBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](C[C@H](O)c3ccc(Cl)cc3)C2)nc1 ZINC000173462999 729047718 /nfs/dbraw/zinc/04/77/18/729047718.db2.gz HSMKHPHUIUAFNR-HOCLYGCPSA-N 1 0 362.817 2.863 20 5 FFBDRO CN(CC[C@H]1CCCC[N@@H+]1C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000173638896 729051302 /nfs/dbraw/zinc/05/13/02/729051302.db2.gz UCOMXGQWRGVYJA-CQSZACIVSA-N 1 0 368.865 2.993 20 5 FFBDRO C[NH+](C)C1CCN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000179423255 729185865 /nfs/dbraw/zinc/18/58/65/729185865.db2.gz HLCTXNTVFRMMDL-UHFFFAOYSA-N 1 0 371.235 2.915 20 5 FFBDRO CC[NH+]1CCN(CCCNc2cccc(Br)c2[N+](=O)[O-])CC1 ZINC000856723361 730350043 /nfs/dbraw/zinc/35/00/43/730350043.db2.gz OUCHQFOILZZJFY-UHFFFAOYSA-N 1 0 371.279 2.797 20 5 FFBDRO C[C@H]([NH2+][C@H]1[C@@H](C)[C@@H](C)O[C@H]1C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000859825703 730466793 /nfs/dbraw/zinc/46/67/93/730466793.db2.gz NLKKVOJYGGJHJE-AOVQSLKQSA-N 1 0 355.822 2.977 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](C)c1ccns1 ZINC000860054337 730474550 /nfs/dbraw/zinc/47/45/50/730474550.db2.gz JTOISKVDUHIQDM-SNVBAGLBSA-N 1 0 350.400 2.739 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000860313466 730500958 /nfs/dbraw/zinc/50/09/58/730500958.db2.gz YZNQFVKHCFDRLZ-OSAQELSMSA-N 1 0 367.833 2.572 20 5 FFBDRO COCC[N@@H+]1CCC[C@H]1COC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000861033557 730569130 /nfs/dbraw/zinc/56/91/30/730569130.db2.gz NKBRPUWANRWVAM-LBPRGKRZSA-N 1 0 354.428 2.584 20 5 FFBDRO O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000863031087 730744455 /nfs/dbraw/zinc/74/44/55/730744455.db2.gz CRCZRSJRMHTKRE-HNNXBMFYSA-N 1 0 353.369 2.820 20 5 FFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCS(=O)(=O)c1ccccc1 ZINC000866241763 731043136 /nfs/dbraw/zinc/04/31/36/731043136.db2.gz GMNUMHCHLVISAF-ZDUSSCGKSA-N 1 0 366.414 2.728 20 5 FFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC(C)(C)C(=O)N1CCCC1 ZINC000866396977 731054947 /nfs/dbraw/zinc/05/49/47/731054947.db2.gz CDCNFLZWPBTSMM-CYBMUJFWSA-N 1 0 351.422 2.903 20 5 FFBDRO C[C@H](C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)CC1(C)OCCO1 ZINC000866425146 731058793 /nfs/dbraw/zinc/05/87/93/731058793.db2.gz JPGMTAHTHXUSII-SOUVJXGZSA-N 1 0 352.435 2.654 20 5 FFBDRO C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)CC1(C)OCCO1 ZINC000866425148 731058935 /nfs/dbraw/zinc/05/89/35/731058935.db2.gz JPGMTAHTHXUSII-ZNMIVQPWSA-N 1 0 352.435 2.654 20 5 FFBDRO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000868108514 731259732 /nfs/dbraw/zinc/25/97/32/731259732.db2.gz MCDCOZOLQGAGES-JQWIXIFHSA-N 1 0 356.329 2.554 20 5 FFBDRO CC(C)[C@@H](C(=O)OC1CC(n2cc([N+](=O)[O-])cn2)C1)[NH+]1CCCCC1 ZINC000870828606 731563048 /nfs/dbraw/zinc/56/30/48/731563048.db2.gz SVRGJYUEMRYAHZ-BCLQGDPASA-N 1 0 350.419 2.549 20 5 FFBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](C)C1(S(C)(=O)=O)CC1 ZINC000872071789 731726774 /nfs/dbraw/zinc/72/67/74/731726774.db2.gz XOZXWCRTXIPACX-GHMZBOCLSA-N 1 0 358.485 2.933 20 5 FFBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1CN(C2CC2)C(=O)O1 ZINC000872085272 731728125 /nfs/dbraw/zinc/72/81/25/731728125.db2.gz OSVICDHENNEHQJ-GXFFZTMASA-N 1 0 351.428 2.951 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000872121436 731732056 /nfs/dbraw/zinc/73/20/56/731732056.db2.gz ZZIRLKZXNKVKNB-WPXLMEDKSA-N 1 0 352.456 2.910 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])s1)N1CCN(c2cc[nH+]cc2C2CC2)CC1 ZINC000872411064 731762508 /nfs/dbraw/zinc/76/25/08/731762508.db2.gz APWHEOQQZYWMMA-UHFFFAOYSA-N 1 0 358.423 2.891 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@]2(C(F)(F)F)CCCN2)n1 ZINC000925856709 738538197 /nfs/dbraw/zinc/53/81/97/738538197.db2.gz RTATWXSZGCGAHN-BZPMIXESSA-N 1 0 361.368 2.549 20 5 FFBDRO COc1cc(C[NH2+]CCOC(F)(F)C(F)(F)F)c([N+](=O)[O-])cc1OC ZINC000873159434 731882262 /nfs/dbraw/zinc/88/22/62/731882262.db2.gz OETAHDZEIHJMTM-UHFFFAOYSA-N 1 0 374.262 2.873 20 5 FFBDRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000874839384 732106388 /nfs/dbraw/zinc/10/63/88/732106388.db2.gz VUGGBBUYMZQSCG-KBPBESRZSA-N 1 0 368.231 2.666 20 5 FFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CC(CNC(=O)C(F)(F)F)C1 ZINC000877777387 732428963 /nfs/dbraw/zinc/42/89/63/732428963.db2.gz YPRNUKBTFWZSNG-WZUFQYTHSA-N 1 0 357.332 2.608 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000879561705 732724136 /nfs/dbraw/zinc/72/41/36/732724136.db2.gz SLWYFZSPQIARIF-OLZOCXBDSA-N 1 0 365.455 2.617 20 5 FFBDRO CC(C)(O)[C@@H]1CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000879963045 732810389 /nfs/dbraw/zinc/81/03/89/732810389.db2.gz DBZCZJQITDSPFC-GFCCVEGCSA-N 1 0 353.394 2.545 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880202071 732864787 /nfs/dbraw/zinc/86/47/87/732864787.db2.gz GEVYFSVJZLJMQA-INIZCTEOSA-N 1 0 353.850 2.981 20 5 FFBDRO CO[C@@H]1COCC[C@@H]1[N@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000880435213 732907561 /nfs/dbraw/zinc/90/75/61/732907561.db2.gz KGUYBUYTQIPRKJ-GXTWGEPZSA-N 1 0 359.220 2.593 20 5 FFBDRO CS(=O)(=O)c1ccccc1CC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000926906552 738667326 /nfs/dbraw/zinc/66/73/26/738667326.db2.gz VWSSIYRCTAABTD-MRXNPFEDSA-N 1 0 360.435 2.818 20 5 FFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H]1CCC2(CCOCC2)O1 ZINC000927013250 738681621 /nfs/dbraw/zinc/68/16/21/738681621.db2.gz DAADNBCSOIQDDF-CZUORRHYSA-N 1 0 352.406 2.983 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c1C ZINC000884433858 733524379 /nfs/dbraw/zinc/52/43/79/733524379.db2.gz ULFFVMVLAJAVAW-NEPJUHHUSA-N 1 0 359.348 2.811 20 5 FFBDRO CN(CC1([NH+](C)C)CCC1)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000782591412 738736554 /nfs/dbraw/zinc/73/65/54/738736554.db2.gz FSQFAWVHNLLOTQ-UHFFFAOYSA-N 1 0 354.838 2.874 20 5 FFBDRO COc1ccc(C[NH2+]C[C@@H]2CC[C@]3(CO[C@H](C)[C@H]3C)O2)cc1[N+](=O)[O-] ZINC000886340330 733775782 /nfs/dbraw/zinc/77/57/82/733775782.db2.gz FJZPPDNNKNFZBU-ACXGAUJLSA-N 1 0 350.415 2.666 20 5 FFBDRO C[NH+](C)CCCn1cc(-c2csc(-c3ccccc3[N+](=O)[O-])n2)nn1 ZINC000887489308 733935955 /nfs/dbraw/zinc/93/59/55/733935955.db2.gz XNFIDNMYMJMHGC-UHFFFAOYSA-N 1 0 358.427 2.929 20 5 FFBDRO C[C@H](C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12)c1ccc([N+](=O)[O-])cc1F ZINC000928092561 738821009 /nfs/dbraw/zinc/82/10/09/738821009.db2.gz SZWPUUGGPHAJCN-XZJROXQQSA-N 1 0 367.446 2.533 20 5 FFBDRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000893601815 734725331 /nfs/dbraw/zinc/72/53/31/734725331.db2.gz JLIOJJYXIARYQW-GJZGRUSLSA-N 1 0 352.822 2.626 20 5 FFBDRO O=[N+]([O-])c1cc2c(ncnc2N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)s1 ZINC000895570237 735025614 /nfs/dbraw/zinc/02/56/14/735025614.db2.gz RPMCMYZRWRQWEZ-QWRGUYRKSA-N 1 0 351.457 2.591 20 5 FFBDRO CCO/C=C/[C@@](O)(C[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)C(F)(F)F ZINC000895705831 735043173 /nfs/dbraw/zinc/04/31/73/735043173.db2.gz BQIMSKBJJRDTJP-PSKZRQQASA-N 1 0 364.320 2.537 20 5 FFBDRO CC[N@@H+]1CCC[C@@H]1CNC(=S)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000739437469 735051692 /nfs/dbraw/zinc/05/16/92/735051692.db2.gz MJXKHTOALNHBRD-QGZVFWFLSA-N 1 0 364.515 2.866 20 5 FFBDRO CC(C)[C@H](C[NH+](C)C)NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000739730259 735058147 /nfs/dbraw/zinc/05/81/47/735058147.db2.gz BNLYQVJDVRCKTM-ZDUSSCGKSA-N 1 0 358.236 2.673 20 5 FFBDRO C[N@H+](CCNC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl)C1CC1 ZINC000895875667 735068045 /nfs/dbraw/zinc/06/80/45/735068045.db2.gz SMJUZTJTLDUKSN-UHFFFAOYSA-N 1 0 350.177 2.865 20 5 FFBDRO C[NH+](C)CCCOC1CCN(C(=S)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000749005395 735688420 /nfs/dbraw/zinc/68/84/20/735688420.db2.gz KMTVDPHKKWSNHB-UHFFFAOYSA-N 1 0 366.487 2.724 20 5 FFBDRO C[NH+](C)CC(C)(C)CNC(=S)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000751919414 735934764 /nfs/dbraw/zinc/93/47/64/735934764.db2.gz ZCPVRUZSVYJXBA-UHFFFAOYSA-N 1 0 352.504 2.882 20 5 FFBDRO COc1cc([C@H](C)[NH2+][C@H](CO)[C@@H]2CCC[C@H](OC)C2)cc([N+](=O)[O-])c1 ZINC000903201063 736054210 /nfs/dbraw/zinc/05/42/10/736054210.db2.gz WLHVUNHDMMCFJG-URLYELCFSA-N 1 0 352.431 2.820 20 5 FFBDRO COc1cc([C@@H](C)[NH2+]C[C@H]2CCC3(CCOCC3)O2)cc([N+](=O)[O-])c1 ZINC000903226709 736060087 /nfs/dbraw/zinc/06/00/87/736060087.db2.gz MGOQTDBXWRNICK-CZUORRHYSA-N 1 0 350.415 2.982 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC1(C2(O)CCOCC2)CC1 ZINC000903346636 736078323 /nfs/dbraw/zinc/07/83/23/736078323.db2.gz LSGISVRHZXJKOJ-ZDUSSCGKSA-N 1 0 350.415 2.576 20 5 FFBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCOC23CCOCC3)cc1[N+](=O)[O-] ZINC000903390611 736086331 /nfs/dbraw/zinc/08/63/31/736086331.db2.gz WWXCWLZHJFINJN-SUMWQHHRSA-N 1 0 350.415 2.982 20 5 FFBDRO CC[N@@H+]1CCN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C[C@H]1C ZINC000755032025 736228105 /nfs/dbraw/zinc/22/81/05/736228105.db2.gz VSWWZQHQZMGIBL-SNVBAGLBSA-N 1 0 371.235 2.915 20 5 FFBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000756967526 736378709 /nfs/dbraw/zinc/37/87/09/736378709.db2.gz QWFLUSLALKHIRC-CQSZACIVSA-N 1 0 354.838 2.874 20 5 FFBDRO Nc1c(Cl)cc(C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000906815352 736546839 /nfs/dbraw/zinc/54/68/39/736546839.db2.gz XGHNAYWJYKURLV-GFCCVEGCSA-N 1 0 366.849 2.778 20 5 FFBDRO C[C@@H]1C[C@@H](NC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)C[N@@H+]1C1CC1 ZINC000906939491 736562704 /nfs/dbraw/zinc/56/27/04/736562704.db2.gz DCYFEJVQROUMRH-DGCLKSJQSA-N 1 0 351.834 2.922 20 5 FFBDRO C[NH+]1CCC([C@H]2CCN(C(=O)c3cc(Cl)c(N)c([N+](=O)[O-])c3)C2)CC1 ZINC000907127384 736586732 /nfs/dbraw/zinc/58/67/32/736586732.db2.gz FSNSNEJXOUVXML-LBPRGKRZSA-N 1 0 366.849 2.634 20 5 FFBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000760831576 736672173 /nfs/dbraw/zinc/67/21/73/736672173.db2.gz LCFAVBATKIYBJM-LLVKDONJSA-N 1 0 370.247 2.962 20 5 FFBDRO C[C@H]1CCC[N@@H+]1CCNC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000760874715 736676463 /nfs/dbraw/zinc/67/64/63/736676463.db2.gz ZFEHTEQBSXZQSV-JTQLQIEISA-N 1 0 356.220 2.571 20 5 FFBDRO COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000761507844 736741208 /nfs/dbraw/zinc/74/12/08/736741208.db2.gz ZDAUBYQAZIHWLU-JSGCOSHPSA-N 1 0 369.849 2.611 20 5 FFBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])ccc2Br)C[C@H]1C ZINC000766557948 737241915 /nfs/dbraw/zinc/24/19/15/737241915.db2.gz WYPLRSMUTRQNOJ-GHMZBOCLSA-N 1 0 370.247 2.912 20 5 FFBDRO C[C@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000912649504 737327701 /nfs/dbraw/zinc/32/77/01/737327701.db2.gz VOGRSADMGVXMPD-ZFWWWQNUSA-N 1 0 351.422 2.998 20 5 FFBDRO C[NH+]1C[C@]2(C)CN(C(=O)c3cc(Cl)c(F)c([N+](=O)[O-])c3)C[C@@]2(C)C1 ZINC000913269359 737389783 /nfs/dbraw/zinc/38/97/83/737389783.db2.gz BUBNRQXFHBDLSS-HZPDHXFCSA-N 1 0 355.797 2.801 20 5 FFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CN2CCC[C@@H]2CO1 ZINC000768100854 737397905 /nfs/dbraw/zinc/39/79/05/737397905.db2.gz DFSOZXIAKWMJTG-OAGGEKHMSA-N 1 0 365.499 2.918 20 5 FFBDRO C[C@H](NC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)c1ccccc1[N+](=O)[O-] ZINC000921806126 738047819 /nfs/dbraw/zinc/04/78/19/738047819.db2.gz IYJPYGBXHDGTAL-JGGQBBKZSA-N 1 0 364.471 2.535 20 5 FFBDRO COC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000775816441 738128799 /nfs/dbraw/zinc/12/87/99/738128799.db2.gz UWMPAXNZBURDLE-OCCSQVGLSA-N 1 0 351.403 2.560 20 5 FFBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]C[C@@H]1CC[C@@H](C(F)(F)F)O1)OCCO2 ZINC000922463481 738149512 /nfs/dbraw/zinc/14/95/12/738149512.db2.gz SAEKWJJXVWQKFP-HZMBPMFUSA-N 1 0 362.304 2.566 20 5 FFBDRO CC(C)(CNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000777787082 738319788 /nfs/dbraw/zinc/31/97/88/738319788.db2.gz QGNZNQLKCWBWJJ-UHFFFAOYSA-N 1 0 363.443 2.594 20 5 FFBDRO C[N@@H+]1C[C@@H]2CCN(C(=O)Nc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)[C@@H]2C1 ZINC000930767461 739159847 /nfs/dbraw/zinc/15/98/47/739159847.db2.gz GOKOQHWBMVSXDQ-TVQRCGJNSA-N 1 0 358.320 2.781 20 5 FFBDRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000931335582 739247366 /nfs/dbraw/zinc/24/73/66/739247366.db2.gz XYGKAMFIFBCQKM-ZANVPECISA-N 1 0 369.219 2.525 20 5 FFBDRO C[C@H](CNC(=O)OC(C)(C)C)C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788673300 739270749 /nfs/dbraw/zinc/27/07/49/739270749.db2.gz VMKLCVCFYDGIJV-RYUDHWBXSA-N 1 0 352.435 2.988 20 5 FFBDRO CCO[C@@H](CNC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C)C[NH+](C)C ZINC000931626930 739299393 /nfs/dbraw/zinc/29/93/93/739299393.db2.gz VOHSQVQGJMWUJG-NSHDSACASA-N 1 0 358.826 2.645 20 5 FFBDRO COC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Br)[C@@H]1CCCOC1 ZINC000931755214 739324324 /nfs/dbraw/zinc/32/43/24/739324324.db2.gz QUWVYVCMJYPFLJ-ABAIWWIYSA-N 1 0 373.247 2.889 20 5 FFBDRO CN(CC1CC[NH+](C)CC1)C(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC000931960940 739360470 /nfs/dbraw/zinc/36/04/70/739360470.db2.gz KIWOISVGNCLLOJ-UHFFFAOYSA-N 1 0 353.850 2.981 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000790270648 739431342 /nfs/dbraw/zinc/43/13/42/739431342.db2.gz CQXNGUPSFIQIGW-NSHDSACASA-N 1 0 355.822 2.813 20 5 FFBDRO CCOC(=O)C1([C@@H](C)[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])CCOCC1 ZINC000933882609 739700832 /nfs/dbraw/zinc/70/08/32/739700832.db2.gz SOBKPCWGLFQLRY-ZIAGYGMSSA-N 1 0 350.415 2.994 20 5 FFBDRO COc1c[nH+]ccc1N1CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000793369016 739774741 /nfs/dbraw/zinc/77/47/41/739774741.db2.gz ALNAIILETNAMNT-UHFFFAOYSA-N 1 0 362.817 2.974 20 5 FFBDRO C[C@H]([NH2+]C[C@H](O)CCNC(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000794458972 739894276 /nfs/dbraw/zinc/89/42/76/739894276.db2.gz RMMMCHSYSNAHIB-SWLSCSKDSA-N 1 0 353.419 2.521 20 5 FFBDRO C[C@@H](NS(=O)(=O)c1csc([N+](=O)[O-])c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000795165712 739977887 /nfs/dbraw/zinc/97/78/87/739977887.db2.gz YZIWBDVUDOQDGC-ABAIWWIYSA-N 1 0 369.468 2.626 20 5 FFBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(C)CCC[NH+]1CCCC1 ZINC000799174480 740396577 /nfs/dbraw/zinc/39/65/77/740396577.db2.gz IRIWVCHDPAAEGH-ZDUSSCGKSA-N 1 0 368.865 2.993 20 5 FFBDRO O=C(C[N@H+]1CC[C@H](O)C12CCCC2)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000814667907 741855481 /nfs/dbraw/zinc/85/54/81/741855481.db2.gz UHVOCVTWOPQSJG-AWEZNQCLSA-N 1 0 353.806 2.566 20 5 FFBDRO CC(C)[C@@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCCO1 ZINC000815314223 741924496 /nfs/dbraw/zinc/92/44/96/741924496.db2.gz KLONPZJWRQQQBZ-INIZCTEOSA-N 1 0 353.394 2.809 20 5 FFBDRO C[C@@H](COc1ccc(F)cc1F)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818974725 742318580 /nfs/dbraw/zinc/31/85/80/742318580.db2.gz PETLDSALZZXDQF-ZBEGNZNMSA-N 1 0 352.337 2.964 20 5 FFBDRO C[N@@H+](Cc1cccc(Cl)c1)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001029964445 742824055 /nfs/dbraw/zinc/82/40/55/742824055.db2.gz IYQWTPSHYVNKJH-IAGOWNOFSA-N 1 0 365.861 2.676 20 5 FFBDRO O=C(N[C@H]1CC[C@H]([NH2+]Cc2cccc(F)c2Cl)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001034642339 742927349 /nfs/dbraw/zinc/92/73/49/742927349.db2.gz AZLIVVJFAFCPDL-RGCMKSIDSA-N 1 0 369.824 2.661 20 5 FFBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N[C@H]1C[C@@H]([NH+]2CCCC2)C1 ZINC000824106928 743021282 /nfs/dbraw/zinc/02/12/82/743021282.db2.gz UPJUSURDDRBVMX-TXEJJXNPSA-N 1 0 355.797 2.673 20 5 FFBDRO Cc1cc([C@H]([NH3+])CC(=O)NCCc2ccc([N+](=O)[O-])cc2)cc(Cl)n1 ZINC000827544112 743598384 /nfs/dbraw/zinc/59/83/84/743598384.db2.gz WBBKYBAYLJJPDU-OAHLLOKOSA-N 1 0 362.817 2.700 20 5 FFBDRO C[NH+](C)C1(C)CCN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)CC1 ZINC000827779269 744976218 /nfs/dbraw/zinc/97/62/18/744976218.db2.gz VYWRYJJXQUHLTG-UHFFFAOYSA-N 1 0 358.801 2.526 20 5 FFBDRO CCCN(CC[NH+](CC)CC)c1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000827919767 745002060 /nfs/dbraw/zinc/00/20/60/745002060.db2.gz NXSVZAMYXJBARD-UHFFFAOYSA-N 1 0 357.476 2.557 20 5 FFBDRO C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CCN(CC(F)(F)F)CC1 ZINC000832625341 745728608 /nfs/dbraw/zinc/72/86/08/745728608.db2.gz TZLUQDUZPLBGEP-HNNXBMFYSA-N 1 0 361.364 2.587 20 5 FFBDRO C[C@@H]1C[C@@H](N(C)CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000839502982 746841833 /nfs/dbraw/zinc/84/18/33/746841833.db2.gz IPAACYYQYLAQAY-YPMHNXCESA-N 1 0 354.838 2.601 20 5 FFBDRO COC(=O)CC1([NH2+]Cc2cccc([N+](=O)[O-])c2Br)CCC1 ZINC000839545518 746851973 /nfs/dbraw/zinc/85/19/73/746851973.db2.gz UQHFKBSVZJFNPD-UHFFFAOYSA-N 1 0 357.204 2.933 20 5 FFBDRO CC[NH+](CC)CC(=O)N[C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC000839863473 746945897 /nfs/dbraw/zinc/94/58/97/746945897.db2.gz ITWOLKUZJMLEOU-CYBMUJFWSA-N 1 0 351.300 2.795 20 5 FFBDRO [NH3+]CC1CCN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000841162323 747285066 /nfs/dbraw/zinc/28/50/66/747285066.db2.gz UGWGMXUCDMLLJR-UHFFFAOYSA-N 1 0 357.208 2.560 20 5 FFBDRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000842163625 747536915 /nfs/dbraw/zinc/53/69/15/747536915.db2.gz QNUDVEZYRRAZIE-WDEREUQCSA-N 1 0 362.257 2.789 20 5 FFBDRO C[NH2+]C[C@H](C)c1noc(CSCc2ccc(OC)c([N+](=O)[O-])c2)n1 ZINC000842578860 747631322 /nfs/dbraw/zinc/63/13/22/747631322.db2.gz JPPSBXGPGGDEBD-JTQLQIEISA-N 1 0 352.416 2.743 20 5 FFBDRO O=C(NCCC[C@H]1CCC[NH2+]1)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000843484934 747843474 /nfs/dbraw/zinc/84/34/74/747843474.db2.gz NSQOZNIGYSBFCJ-SNVBAGLBSA-N 1 0 374.210 2.758 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CCC[C@H]2CC2(Cl)Cl)c1 ZINC000844277485 747996554 /nfs/dbraw/zinc/99/65/54/747996554.db2.gz LNYJVTOUGJQZHV-AAEUAGOBSA-N 1 0 363.241 2.898 20 5 FFBDRO O=[N+]([O-])c1ccc(Cl)cc1CN1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000844335271 748008071 /nfs/dbraw/zinc/00/80/71/748008071.db2.gz OYSWGSNPEHNNCW-UHFFFAOYSA-N 1 0 353.850 2.575 20 5 FFBDRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)c3cc(Cl)ccc3[N+](=O)[O-])C2)C1 ZINC000846691976 748524763 /nfs/dbraw/zinc/52/47/63/748524763.db2.gz ZEXFRRDLTAPYHZ-KFNAQCHYSA-N 1 0 367.833 2.607 20 5 FFBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[N@H+](C)C(C)(C)C1 ZINC000846891743 748567628 /nfs/dbraw/zinc/56/76/28/748567628.db2.gz KRUBFSYOZHSADQ-LLVKDONJSA-N 1 0 354.838 2.601 20 5 FFBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC2CCC1(C[NH3+])CC2 ZINC000848600685 748970813 /nfs/dbraw/zinc/97/08/13/748970813.db2.gz ICTLFSWAHZXSRC-ZBFVHZJFSA-N 1 0 366.849 2.779 20 5 FFBDRO CO[C@@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000850359325 749351838 /nfs/dbraw/zinc/35/18/38/749351838.db2.gz DNFIBYSTCSHATG-WOJBJXKFSA-N 1 0 355.459 2.895 20 5 FFBDRO CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000850359324 749352195 /nfs/dbraw/zinc/35/21/95/749352195.db2.gz DNFIBYSTCSHATG-VQTJNVASSA-N 1 0 355.459 2.895 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC[S@@](=O)CC(F)(F)F ZINC000850494753 749375045 /nfs/dbraw/zinc/37/50/45/749375045.db2.gz RMSBAFBENAWORF-XQHREBAHSA-N 1 0 354.350 2.565 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CC[S@@](=O)CC(F)(F)F)CCC2 ZINC000850497555 749376139 /nfs/dbraw/zinc/37/61/39/749376139.db2.gz VIBHSLIYJMMYMC-ZAMGYDSWSA-N 1 0 350.362 2.873 20 5 FFBDRO COCC1([NH2+]Cc2cccc([N+](=O)[O-])c2Br)CCOCC1 ZINC000852089099 749772176 /nfs/dbraw/zinc/77/21/76/749772176.db2.gz DBGDUDFGJNTDHU-UHFFFAOYSA-N 1 0 359.220 2.643 20 5 FFBDRO COc1cc(N2C[C@@H](SC)[C@@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])cc1C ZINC000853483867 750071116 /nfs/dbraw/zinc/07/11/16/750071116.db2.gz QGLLCMFRAAVRCH-DOTOQJQBSA-N 1 0 351.472 2.928 20 5 FFBDRO CC(C)([C@H](NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC000840415421 971265380 /nfs/dbraw/zinc/26/53/80/971265380.db2.gz IEAAKVIYGJWAQY-DAXOMENPSA-N 1 0 367.396 2.662 20 5 FFBDRO CC(C)([C@@H](NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC000840415425 971267810 /nfs/dbraw/zinc/26/78/10/971267810.db2.gz IEAAKVIYGJWAQY-WQVCFCJDSA-N 1 0 367.396 2.662 20 5 FFBDRO Cc1cc(N2CCC([C@@H]3COC(=O)N3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000896311414 971415391 /nfs/dbraw/zinc/41/53/91/971415391.db2.gz UECGVKDFVZVYAS-INIZCTEOSA-N 1 0 356.382 2.776 20 5 FFBDRO COc1cc(C[N@@H+]2CCC[C@@H](c3ccn(C)n3)C2)c([N+](=O)[O-])cc1OC ZINC000896492281 971510147 /nfs/dbraw/zinc/51/01/47/971510147.db2.gz OEVHISQNWTVWIL-CYBMUJFWSA-N 1 0 360.414 2.725 20 5 FFBDRO Cc1cc(S(=O)(=O)NCC[C@@H](C)[NH+]2CCCCC2)c(C)cc1[N+](=O)[O-] ZINC001211488637 958855064 /nfs/dbraw/zinc/85/50/64/958855064.db2.gz GCXKWBFINYOIFI-OAHLLOKOSA-N 1 0 369.487 2.754 20 5 FFBDRO Cc1nn(C[N@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)c2cc([N+](=O)[O-])ccc12 ZINC000121258404 959026221 /nfs/dbraw/zinc/02/62/21/959026221.db2.gz ISXOBDSLDZCVEF-SCLBCKFNSA-N 1 0 354.414 2.990 20 5 FFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000134886665 960093263 /nfs/dbraw/zinc/09/32/63/960093263.db2.gz ZJZYVWCVHAPDSK-XJKSGUPXSA-N 1 0 354.410 2.691 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](OC3CCC3)CC2)c1 ZINC000872274725 1013195991 /nfs/dbraw/zinc/19/59/91/1013195991.db2.gz APKZNZULFQRJTK-WMZOPIPTSA-N 1 0 364.442 2.758 20 5 FFBDRO Cc1ccc(CNC(=O)CC2([NH+]3CCOCC3)CCCC2)cc1[N+](=O)[O-] ZINC000825647006 1013352320 /nfs/dbraw/zinc/35/23/20/1013352320.db2.gz BOVVNZQUYCOYPU-UHFFFAOYSA-N 1 0 361.442 2.555 20 5 FFBDRO C[C@H]1C[NH+](Cc2ccc(CNc3c([N+](=O)[O-])cnn3C)cc2)C[C@H](C)O1 ZINC000891772591 965048673 /nfs/dbraw/zinc/04/86/73/965048673.db2.gz OYPSMYIGLHHDTH-KBPBESRZSA-N 1 0 359.430 2.550 20 5 FFBDRO COc1c(O)ccc(CN(C)CCC[N@H+](C)Cc2ccco2)c1[N+](=O)[O-] ZINC000894434519 965370072 /nfs/dbraw/zinc/37/00/72/965370072.db2.gz DNWKBZGVUNBRDX-UHFFFAOYSA-N 1 0 363.414 2.856 20 5 FFBDRO COc1c(O)ccc(CN[C@H](C[NH+](C)C)c2ccc(F)cc2)c1[N+](=O)[O-] ZINC000894505811 965427326 /nfs/dbraw/zinc/42/73/26/965427326.db2.gz GXUKWGFFOLQFDQ-OAHLLOKOSA-N 1 0 363.389 2.841 20 5 FFBDRO O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCCC1CC[NH2+]CC1 ZINC000653269720 967701577 /nfs/dbraw/zinc/70/15/77/967701577.db2.gz PEIXHJOIRPUYCK-UHFFFAOYSA-N 1 0 363.461 2.661 20 5 FFBDRO C[C@H](C(=O)N1CCN(c2cc[nH+]cc2)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000895267959 968875047 /nfs/dbraw/zinc/87/50/47/968875047.db2.gz JQQSQFWHCJMFCU-CABCVRRESA-N 1 0 354.410 2.831 20 5 FFBDRO C[NH+](C)CCc1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000102732160 968937667 /nfs/dbraw/zinc/93/76/67/968937667.db2.gz VFJCHBNVLZHMHW-UHFFFAOYSA-N 1 0 358.354 2.859 20 5 FFBDRO C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C[N@@H+]1C1CC1 ZINC000177132674 969060736 /nfs/dbraw/zinc/06/07/36/969060736.db2.gz DIXHNCBAMZVSOI-LSDHHAIUSA-N 1 0 372.469 2.940 20 5 FFBDRO Cc1c(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000177606808 969284637 /nfs/dbraw/zinc/28/46/37/969284637.db2.gz PMCATXXIQHOTHT-CHWSQXEVSA-N 1 0 364.402 2.722 20 5 FFBDRO Cc1c(C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000177606779 969284684 /nfs/dbraw/zinc/28/46/84/969284684.db2.gz PMCATXXIQHOTHT-OLZOCXBDSA-N 1 0 364.402 2.722 20 5 FFBDRO Cc1c(Cl)nc(-c2ccc([N+](=O)[O-])cc2)nc1-n1ccc(C[NH3+])cc1=N ZINC001167692392 969318958 /nfs/dbraw/zinc/31/89/58/969318958.db2.gz HFWSDPNOHYZFPZ-UHFFFAOYSA-N 1 0 370.800 2.742 20 5 FFBDRO O=C(NCC[N@H+](Cc1cc2ccccc2s1)C1CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001481169810 970299276 /nfs/dbraw/zinc/29/92/76/970299276.db2.gz YIAKKOXGENNCDS-HZPDHXFCSA-N 1 0 359.451 2.647 20 5 FFBDRO O=C1N[C@@H](C2CCN(Cc3cc([N+](=O)[O-])ccc3OC(F)F)CC2)CO1 ZINC000897027955 973162295 /nfs/dbraw/zinc/16/22/95/973162295.db2.gz VPXDBWUGFPKUJD-CYBMUJFWSA-N 1 0 371.340 2.517 20 5 FFBDRO C[C@H](CNC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000897071875 973220285 /nfs/dbraw/zinc/22/02/85/973220285.db2.gz YKWAIKLCYFYBNN-HZPDHXFCSA-N 1 0 360.458 2.968 20 5 FFBDRO C[C@H](CNC(=O)N1CCN(c2cc[nH+]cc2)CC1)c1ccccc1[N+](=O)[O-] ZINC000897076204 973233247 /nfs/dbraw/zinc/23/32/47/973233247.db2.gz WHNPMWKUALOSDJ-OAHLLOKOSA-N 1 0 369.425 2.625 20 5 FFBDRO COc1cccc(C(=O)N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000192752119 975625993 /nfs/dbraw/zinc/62/59/93/975625993.db2.gz ZEINMMLMDHDSRH-ZBFHGGJFSA-N 1 0 369.421 2.996 20 5 FFBDRO CCC1([NH+]2CCC2)CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000899563642 977240177 /nfs/dbraw/zinc/24/01/77/977240177.db2.gz JRHPWUAJEMHZQZ-UHFFFAOYSA-N 1 0 360.458 2.874 20 5 FFBDRO CCc1ccc([C@@H](C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)N(C)C)cc1 ZINC000876884749 1014408547 /nfs/dbraw/zinc/40/85/47/1014408547.db2.gz JIWWNTRXSYEVGQ-FAFZWHIHSA-N 1 0 357.458 2.950 20 5 FFBDRO Cn1ncc([N+](=O)[O-])c1N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000893969392 977616983 /nfs/dbraw/zinc/61/69/83/977616983.db2.gz XKUNDZCPWZMJBE-UHFFFAOYSA-N 1 0 355.442 2.821 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000876921391 1014422023 /nfs/dbraw/zinc/42/20/23/1014422023.db2.gz NZCGIHSKHPJMPY-JKSUJKDBSA-N 1 0 357.385 2.918 20 5 FFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(CC[NH2+]CCCCC(F)(F)F)CC1 ZINC001481998392 977905620 /nfs/dbraw/zinc/90/56/20/977905620.db2.gz UXRGSQBYSUDSPS-ZIAGYGMSSA-N 1 0 365.396 2.603 20 5 FFBDRO COc1cccc(N2CC[C@@H](C[NH2+]C3CC(n4cc([N+](=O)[O-])cn4)C3)C2)c1 ZINC000876998535 1014444604 /nfs/dbraw/zinc/44/46/04/1014444604.db2.gz JCSZFSIHGGACOO-UQPPLGOBSA-N 1 0 371.441 2.620 20 5 FFBDRO Cc1c(C(=O)NCC[N@H+]2CCCC[C@H]2C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000126244638 977998305 /nfs/dbraw/zinc/99/83/05/977998305.db2.gz OPTXAPGLTMZHHX-LLVKDONJSA-N 1 0 364.402 2.724 20 5 FFBDRO C[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[C@H](O)c1cccc(F)c1 ZINC000877084183 1014472394 /nfs/dbraw/zinc/47/23/94/1014472394.db2.gz QASUGLRVYVOBGE-DJJJIMSYSA-N 1 0 374.416 2.809 20 5 FFBDRO Cn1cc([C@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)c2ccc(F)cc2)cn1 ZINC000877410907 1014578041 /nfs/dbraw/zinc/57/80/41/1014578041.db2.gz KCZCRVAMAWCZTI-LEOMRAHMSA-N 1 0 370.388 2.747 20 5 FFBDRO CN(CCCCCC[NH3+])C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000877437699 1014581402 /nfs/dbraw/zinc/58/14/02/1014581402.db2.gz RLJVCTQPIBVEAR-UHFFFAOYSA-N 1 0 362.474 2.789 20 5 FFBDRO C[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[C@H](O)c1ccccc1 ZINC000877535177 1014616621 /nfs/dbraw/zinc/61/66/21/1014616621.db2.gz KBZRNPNODAFWQK-LIRRHRJNSA-N 1 0 356.426 2.670 20 5 FFBDRO C[C@H]1[C@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CCN1Cc1ccccc1 ZINC000877535018 1014616796 /nfs/dbraw/zinc/61/67/96/1014616796.db2.gz RTWHWENNVANOTN-RFXRWBHQSA-N 1 0 355.442 2.747 20 5 FFBDRO O=[N+]([O-])c1ccccc1NCCc1noc(C23CCC[NH+](CCC2)C3)n1 ZINC000904000753 980155195 /nfs/dbraw/zinc/15/51/95/980155195.db2.gz AVBPBRORFQLRRP-UHFFFAOYSA-N 1 0 357.414 2.760 20 5 FFBDRO C[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[C@](C)(O)c1ccccc1 ZINC000877610140 1014645202 /nfs/dbraw/zinc/64/52/02/1014645202.db2.gz MIYBITYOZZHXMT-QRWLVFNGSA-N 1 0 370.453 2.844 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H](C3CCC3)[C@H]3CCOC3)CC2)cn1 ZINC000877710537 1014696080 /nfs/dbraw/zinc/69/60/80/1014696080.db2.gz QMJMIYGSVJHJKV-KXBFYZLASA-N 1 0 360.458 2.753 20 5 FFBDRO C[NH+]1CCC2(CCC(NC(=O)COc3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000908502645 981457879 /nfs/dbraw/zinc/45/78/79/981457879.db2.gz WACHVIAVOJDWBB-UHFFFAOYSA-N 1 0 361.442 2.744 20 5 FFBDRO O=[N+]([O-])c1ccccc1-c1nnc(CN2CCC(C[NH+]3CCCC3)CC2)o1 ZINC000877968154 1014790386 /nfs/dbraw/zinc/79/03/86/1014790386.db2.gz JSSSLNAGOUQUQP-UHFFFAOYSA-N 1 0 371.441 2.953 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C[C@@H]1C ZINC000878163347 1014893711 /nfs/dbraw/zinc/89/37/11/1014893711.db2.gz QJLAMHGXSSYYLS-UONOGXRCSA-N 1 0 359.430 2.949 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)[C@@H](C)C1 ZINC000878259046 1014953366 /nfs/dbraw/zinc/95/33/66/1014953366.db2.gz XYNQIUFVOSGHPH-ZFWWWQNUSA-N 1 0 359.430 2.807 20 5 FFBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)CC[C@@H]21 ZINC000878351592 1014997744 /nfs/dbraw/zinc/99/77/44/1014997744.db2.gz SIZLKAVLBYDZKN-MFKMUULPSA-N 1 0 370.356 2.754 20 5 FFBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CC[C@H]([NH+]3CCC3)C2)CC1 ZINC000912923891 984153280 /nfs/dbraw/zinc/15/32/80/984153280.db2.gz LYZWRKCSZCZQEV-KRWDZBQOSA-N 1 0 372.469 2.751 20 5 FFBDRO CCOc1cc(C(=O)N2CCC(C)([NH+](C)C)CC2)c([N+](=O)[O-])cc1OC ZINC000913400698 984255697 /nfs/dbraw/zinc/25/56/97/984255697.db2.gz RPAWGEPIWWAZLS-UHFFFAOYSA-N 1 0 365.430 2.558 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C3CCN(CC(F)F)CC3)CC2)cc1 ZINC000765505958 985152052 /nfs/dbraw/zinc/15/20/52/985152052.db2.gz LYPIVHLSTBQELL-UHFFFAOYSA-N 1 0 368.428 2.883 20 5 FFBDRO COC(=O)[C@@H](C)Oc1ccccc1C[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000921610981 985425819 /nfs/dbraw/zinc/42/58/19/985425819.db2.gz CWBBPURNXHBHKI-CYBMUJFWSA-N 1 0 374.393 2.834 20 5 FFBDRO Cc1nccn1C[C@@H](C)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000765755276 985462116 /nfs/dbraw/zinc/46/21/16/985462116.db2.gz RQEVDRYOXNRNTR-HNNXBMFYSA-N 1 0 357.458 2.994 20 5 FFBDRO O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000765795038 985859783 /nfs/dbraw/zinc/85/97/83/985859783.db2.gz DQUPNFUDPUDLQT-QGZVFWFLSA-N 1 0 372.469 2.942 20 5 FFBDRO COc1cc(C[NH2+]C[C@@](C)(O)c2cc(C)oc2C)c([N+](=O)[O-])cc1OC ZINC000174441527 986226617 /nfs/dbraw/zinc/22/66/17/986226617.db2.gz BUKFIELWUFQLRA-GOSISDBHSA-N 1 0 364.398 2.819 20 5 FFBDRO COc1ccc(C[C@H](C)[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000765849392 986737877 /nfs/dbraw/zinc/73/78/77/986737877.db2.gz PZFQJGHSXPJKNP-SUMWQHHRSA-N 1 0 360.410 2.866 20 5 FFBDRO C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000765849811 986742674 /nfs/dbraw/zinc/74/26/74/986742674.db2.gz RCWQGQXPQNUDDX-DYVFJYSZSA-N 1 0 358.394 2.968 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ncn(CN3CCC[C@H]([NH+]4CCCC4)CC3)n2)cc1 ZINC000153463800 988206179 /nfs/dbraw/zinc/20/61/79/988206179.db2.gz VKGSNDHEFYQBPE-KRWDZBQOSA-N 1 0 370.457 2.761 20 5 FFBDRO COc1ccc(NC(=O)N2CCC3(CC2)CC[NH+](C)CC3)cc1[N+](=O)[O-] ZINC000879145330 1015384469 /nfs/dbraw/zinc/38/44/69/1015384469.db2.gz SOAKCKZRADNJBV-UHFFFAOYSA-N 1 0 362.430 2.943 20 5 FFBDRO COc1cccc(C(=O)NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000193980884 989124023 /nfs/dbraw/zinc/12/40/23/989124023.db2.gz HVZPYPCJSUWIFC-CQSZACIVSA-N 1 0 369.421 2.780 20 5 FFBDRO CC(=O)c1c([N+](=O)[O-])cccc1N1CCN(CCOc2ccccc2)CC1 ZINC000763206353 989223382 /nfs/dbraw/zinc/22/33/82/989223382.db2.gz HFPJCHGTXYDVMJ-UHFFFAOYSA-N 1 0 369.421 2.998 20 5 FFBDRO Cc1nn(CN2CC[NH+](CC3CCCCC3)CC2)c2ncc([N+](=O)[O-])cc12 ZINC000749945386 989424989 /nfs/dbraw/zinc/42/49/89/989424989.db2.gz MQAXUUQQGAYARJ-UHFFFAOYSA-N 1 0 372.473 2.803 20 5 FFBDRO CC(C)(C)C(=O)NC[C@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000154264435 990111066 /nfs/dbraw/zinc/11/10/66/990111066.db2.gz GBAXXMSLKISJGD-PBHICJAKSA-N 1 0 363.458 2.503 20 5 FFBDRO CC(C)C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)[NH+](C)C ZINC000074136780 990814928 /nfs/dbraw/zinc/81/49/28/990814928.db2.gz MYZWRXQDPRMKEI-INIZCTEOSA-N 1 0 362.474 2.901 20 5 FFBDRO COc1cccc([C@H](CNC(=O)c2cccc(OC)c2[N+](=O)[O-])[NH+](C)C)c1 ZINC000195335932 990852290 /nfs/dbraw/zinc/85/22/90/990852290.db2.gz OBZXGTCBGGUBTH-INIZCTEOSA-N 1 0 373.409 2.645 20 5 FFBDRO CC1([NH+]2CCC2)CCC(NC(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000920598625 990878756 /nfs/dbraw/zinc/87/87/56/990878756.db2.gz IZODCWNMGZTYKI-UHFFFAOYSA-N 1 0 360.458 2.844 20 5 FFBDRO CC[N@H+](C)Cc1cccc(CNC(=O)c2cccc(OC)c2[N+](=O)[O-])c1 ZINC000195447283 990942651 /nfs/dbraw/zinc/94/26/51/990942651.db2.gz WCNAXSIALRUDED-UHFFFAOYSA-N 1 0 357.410 2.985 20 5 FFBDRO CN(Cc1ccc([N+](=O)[O-])c(F)c1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000711789540 991168626 /nfs/dbraw/zinc/16/86/26/991168626.db2.gz QFLBRBLAGILZAT-HXUWFJFHSA-N 1 0 373.428 2.803 20 5 FFBDRO COc1cccc([C@@H](CNC(=O)c2cc(C)cc([N+](=O)[O-])c2N)[NH+](C)C)c1 ZINC000068510062 991454554 /nfs/dbraw/zinc/45/45/54/991454554.db2.gz ATURJVUIUAFFBT-QGZVFWFLSA-N 1 0 372.425 2.527 20 5 FFBDRO O=C(NC1(C[NH2+]Cc2cc(F)cc(F)c2)CCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001485450498 991943470 /nfs/dbraw/zinc/94/34/70/991943470.db2.gz CESZEJARAUTZDQ-HZPDHXFCSA-N 1 0 367.396 2.539 20 5 FFBDRO Cc1nn(CN2CCC[N@@H+](C3CCCC3)CC2)c2ncc([N+](=O)[O-])cc12 ZINC000749956627 992196188 /nfs/dbraw/zinc/19/61/88/992196188.db2.gz YDHIHLOVONTMNL-UHFFFAOYSA-N 1 0 358.446 2.556 20 5 FFBDRO CC(C)([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(C(F)(F)F)cc1 ZINC000880383981 1015823297 /nfs/dbraw/zinc/82/32/97/1015823297.db2.gz OAHPCWHXVMHDNF-CQSZACIVSA-N 1 0 372.347 2.696 20 5 FFBDRO Cc1c(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000727095109 994468183 /nfs/dbraw/zinc/46/81/83/994468183.db2.gz XIJZUYPYRNHQOO-UHFFFAOYSA-N 1 0 368.309 2.644 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1CN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000809728248 994582587 /nfs/dbraw/zinc/58/25/87/994582587.db2.gz PNVNYYBGLVNIAW-UHFFFAOYSA-N 1 0 360.370 2.867 20 5 FFBDRO O=C([C@H]1CCC[N@@H+]1C1CCCC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000747648455 994967372 /nfs/dbraw/zinc/96/73/72/994967372.db2.gz IGYDXBZNYWYWMY-LJQANCHMSA-N 1 0 372.469 2.650 20 5 FFBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC001132801140 995144212 /nfs/dbraw/zinc/14/42/12/995144212.db2.gz JVPGUTLUPTXHAX-HLLBOEOZSA-N 1 0 374.485 2.901 20 5 FFBDRO CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC001133014939 995256064 /nfs/dbraw/zinc/25/60/64/995256064.db2.gz PTILXJQQPVWTFJ-INIZCTEOSA-N 1 0 369.421 2.998 20 5 FFBDRO CC[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H](C)[C@H](O)c1ccccc1 ZINC000812851782 995554022 /nfs/dbraw/zinc/55/40/22/995554022.db2.gz ZAOFRHXBPWJBEL-SYNHAJSKSA-N 1 0 374.437 2.779 20 5 FFBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)cc1[N+](=O)[O-] ZINC000813330185 995665909 /nfs/dbraw/zinc/66/59/09/995665909.db2.gz UMGOASWIBJZVPR-NWDGAFQWSA-N 1 0 368.393 2.845 20 5 FFBDRO O=C(NCc1ccc2c(c1)C[N@@H+](CC1CC3(CCC3)C1)C2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001054264989 1015996064 /nfs/dbraw/zinc/99/60/64/1015996064.db2.gz YPMNKKCZRXTUQK-RTBURBONSA-N 1 0 369.465 2.864 20 5 FFBDRO O=C(N[C@H]1C[C@@H]([NH+]2CCCC2)C1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000824101343 996786650 /nfs/dbraw/zinc/78/66/50/996786650.db2.gz PVWDHPMLWWPAME-FZNQNYSPSA-N 1 0 358.442 2.552 20 5 FFBDRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000824853423 997109907 /nfs/dbraw/zinc/10/99/07/997109907.db2.gz FBZLRTGGECLZDE-LJQANCHMSA-N 1 0 369.421 2.540 20 5 FFBDRO Cc1ccc(C[N@@H+]2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000824828116 997116242 /nfs/dbraw/zinc/11/62/42/997116242.db2.gz LGAJWKHEJJSPGP-UONOGXRCSA-N 1 0 371.359 2.746 20 5 FFBDRO CC[N@H+]1[C@H](C)CN(C(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])C[C@@H]1C ZINC001143982580 997895344 /nfs/dbraw/zinc/89/53/44/997895344.db2.gz UEIQWZJAOCBROY-TXEJJXNPSA-N 1 0 367.471 2.880 20 5 FFBDRO C[C@@H]1CCCN(Cn2cc([N+](=O)[O-])cn2)[C@H]1CCNC(=O)OC(C)(C)C ZINC000844731418 998129472 /nfs/dbraw/zinc/12/94/72/998129472.db2.gz SMQQXUYJECAUBL-HIFRSBDPSA-N 1 0 367.450 2.764 20 5 FFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)c1ccc(OCC[NH+](C)C)cc1 ZINC000732006957 998392445 /nfs/dbraw/zinc/39/24/45/998392445.db2.gz VSEUXTRVQCOJBO-UHFFFAOYSA-N 1 0 358.398 2.515 20 5 FFBDRO CC[NH+](CC)CCOC(=O)c1cccc(Cn2nc([N+](=O)[O-])cc2C)c1 ZINC000845283980 998465447 /nfs/dbraw/zinc/46/54/47/998465447.db2.gz BZTQUUXVQCGJDG-UHFFFAOYSA-N 1 0 360.414 2.647 20 5 FFBDRO CNc1ccc(C(=O)N(C)c2ccc(OCC[NH+](C)C)cc2)cc1[N+](=O)[O-] ZINC000732136698 998500104 /nfs/dbraw/zinc/50/01/04/998500104.db2.gz TWPHRJGFZSSEHC-UHFFFAOYSA-N 1 0 372.425 2.854 20 5 FFBDRO CN(C)c1cc(F)c(C(=O)N(CC[NH+](C)C)C2CCCC2)cc1[N+](=O)[O-] ZINC000826947973 1016233058 /nfs/dbraw/zinc/23/30/58/1016233058.db2.gz YKTQYXPKYJQLKK-UHFFFAOYSA-N 1 0 366.437 2.746 20 5 FFBDRO Cc1cccc(C)c1C[NH+]1CCC(C2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1 ZINC001000154956 1016249673 /nfs/dbraw/zinc/24/96/73/1016249673.db2.gz PZNWBJPLECIBBO-IEBWSBKVSA-N 1 0 371.481 2.829 20 5 FFBDRO Cc1ccc(C[NH+]2CCC(C3(NC(=O)[C@@H]4C[C@H]4[N+](=O)[O-])CC3)CC2)c(C)c1 ZINC001000152317 1016247659 /nfs/dbraw/zinc/24/76/59/1016247659.db2.gz CWVZJMXJZBWKKL-RTBURBONSA-N 1 0 371.481 2.829 20 5 FFBDRO CC[C@@H]1CCCC[N@@H+]1CCNc1c([N+](=O)[O-])cc(CO)c(C)c1[N+](=O)[O-] ZINC000733301988 998951091 /nfs/dbraw/zinc/95/10/91/998951091.db2.gz FYEQBDLHSHKHFI-CQSZACIVSA-N 1 0 366.418 2.980 20 5 FFBDRO O=[N+]([O-])c1cccc(F)c1CN[C@@]1(CO)CCC[N@H+](Cc2ccccc2)C1 ZINC000734000831 999169805 /nfs/dbraw/zinc/16/98/05/999169805.db2.gz XXNKLPMJOPNEAN-FQEVSTJZSA-N 1 0 373.428 2.851 20 5 FFBDRO CC(C)[C@H](C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2)[NH+]1CCCC1 ZINC000741010024 999700447 /nfs/dbraw/zinc/70/04/47/999700447.db2.gz AXINOWWAMABAIH-MRXNPFEDSA-N 1 0 364.398 2.625 20 5 FFBDRO CCc1cc(NCC[N@@H+]2CCC[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000742424717 999773536 /nfs/dbraw/zinc/77/35/36/999773536.db2.gz CEIFXBNIRQUXNO-AWEZNQCLSA-N 1 0 355.442 2.932 20 5 FFBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]C2(c3ccc(Br)cc3)COC2)C1 ZINC001168976023 1000012077 /nfs/dbraw/zinc/01/20/77/1000012077.db2.gz YHSRHPGYTHNGOJ-FZMZJTMJSA-N 1 0 355.232 2.710 20 5 FFBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2ccc(OC3CCOCC3)c(F)c2)C1 ZINC001168984458 1000012420 /nfs/dbraw/zinc/01/24/20/1000012420.db2.gz OGNKLDPONJQQIG-CABCVRRESA-N 1 0 352.406 2.919 20 5 FFBDRO CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CC[NH2+][C@H]3CC[C@H](C[N+](=O)[O-])C3)[C@@H]2C1 ZINC001168956497 1000012775 /nfs/dbraw/zinc/01/27/75/1000012775.db2.gz BFJGQNBLIVECTM-UVPYHEFZSA-N 1 0 353.463 2.524 20 5 FFBDRO COc1ccc(F)c(CN2CCC([NH2+][C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)c1 ZINC001168997095 1000014213 /nfs/dbraw/zinc/01/42/13/1000014213.db2.gz XPHZHFMZGBTRSD-PBHICJAKSA-N 1 0 365.449 2.834 20 5 FFBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C2CCN(Cc3ccc(F)cc3F)CC2)C1 ZINC001168997320 1000014239 /nfs/dbraw/zinc/01/42/39/1000014239.db2.gz YSXDQVHOQPRCAA-CXAGYDPISA-N 1 0 353.413 2.964 20 5 FFBDRO O=C(N[C@H]1CC[C@H]([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1)c1ccc(F)cc1 ZINC001168999982 1000014525 /nfs/dbraw/zinc/01/45/25/1000014525.db2.gz WQEFJWRBIXLMKL-PILAGYSTSA-N 1 0 363.433 2.902 20 5 FFBDRO CC(C)(C)OC(=O)N1CC([C@H]([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)C2CC2)C1 ZINC001169006651 1000015031 /nfs/dbraw/zinc/01/50/31/1000015031.db2.gz IVCNOWONGHYGDI-APHBMKBZSA-N 1 0 353.463 2.667 20 5 FFBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCN(c3ncccc3C(F)(F)F)CC2)C1 ZINC001169006818 1000015052 /nfs/dbraw/zinc/01/50/52/1000015052.db2.gz JKPOIRUHFQWICT-CHWSQXEVSA-N 1 0 358.364 2.668 20 5 FFBDRO CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)C[N@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169011965 1000015621 /nfs/dbraw/zinc/01/56/21/1000015621.db2.gz NYYQCMDXDIIWTO-LVQVYYBASA-N 1 0 353.463 2.621 20 5 FFBDRO Cc1cccc(CN2CC[C@]3(CC[N@@H+]([C@H]4CC[C@H](C[N+](=O)[O-])C4)C3)C2=O)c1 ZINC001169020616 1000017555 /nfs/dbraw/zinc/01/75/55/1000017555.db2.gz JOJPMQHSHLIOGU-IRFCIJBXSA-N 1 0 371.481 2.865 20 5 FFBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCO[C@]3(CCCN(c4ccccc4)C3)C2)C1 ZINC001169023981 1000017791 /nfs/dbraw/zinc/01/77/91/1000017791.db2.gz WHIDRJRIFODCBI-RLLQIKCJSA-N 1 0 359.470 2.803 20 5 FFBDRO COc1cncc(CCNc2ccc([N+](=O)[O-])c(OCC[NH+](C)C)c2)c1 ZINC001169267814 1000037518 /nfs/dbraw/zinc/03/75/18/1000037518.db2.gz 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AIIODEDASDBEMY-KDOFPFPSSA-N 1 0 363.458 2.501 20 5 FFBDRO COc1cccc([C@H]2CN(C[C@@H](O)c3ccc([N+](=O)[O-])cc3)CCO2)c1 ZINC000776586207 1005972394 /nfs/dbraw/zinc/97/23/94/1005972394.db2.gz KPXASTQDKDNMCR-RTBURBONSA-N 1 0 358.394 2.710 20 5 FFBDRO C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000776589661 1006003738 /nfs/dbraw/zinc/00/37/38/1006003738.db2.gz VAISAPCUWAGAFV-CVEARBPZSA-N 1 0 365.430 2.569 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@H+](Cc2ccccc2)[C@@H](CO)C2CC2)cc1 ZINC000776594143 1006010003 /nfs/dbraw/zinc/01/00/03/1006010003.db2.gz XADAPRKJODGROZ-VQTJNVASSA-N 1 0 356.422 2.901 20 5 FFBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)[C@@H]3C[C@H]3C3CCC3)c2)CC1 ZINC001134199872 1006227675 /nfs/dbraw/zinc/22/76/75/1006227675.db2.gz GGRKTXWDRKGFSI-JKSUJKDBSA-N 1 0 358.442 2.721 20 5 FFBDRO COc1cc(N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c([N+](=O)[O-])cc1C ZINC000853456681 1006396351 /nfs/dbraw/zinc/39/63/51/1006396351.db2.gz AVAPAOZYFRFTBA-SJPCQFCGSA-N 1 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C[C@H]([NH2+][C@@H]1CC(=O)N(c2ccccc2F)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815628354 1006720446 /nfs/dbraw/zinc/72/04/46/1006720446.db2.gz YJMZQNKEFICCLV-WCQYABFASA-N 1 0 358.373 2.772 20 5 FFBDRO CN(CCC[N@H+](C)Cc1ccncc1)C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000854487260 1006853023 /nfs/dbraw/zinc/85/30/23/1006853023.db2.gz OEQFOEAIMWCBIJ-UHFFFAOYSA-N 1 0 360.389 2.723 20 5 FFBDRO C[C@@H](NC(=O)N1CCN(c2cc[nH+]cc2)[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000883553389 1006859779 /nfs/dbraw/zinc/85/97/79/1006859779.db2.gz RNIUMBTVSIPCST-LSDHHAIUSA-N 1 0 369.425 2.971 20 5 FFBDRO C/C(=C/C(=O)N1CCC([N@H+]2CCOC[C@@H]2C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000854571022 1006894429 /nfs/dbraw/zinc/89/44/29/1006894429.db2.gz SYAKQUHEVBLLGH-KGAUPUERSA-N 1 0 373.453 2.710 20 5 FFBDRO C[C@H](NC(=O)N1CCN(c2cc[nH+]cc2)[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000883668806 1006939576 /nfs/dbraw/zinc/93/95/76/1006939576.db2.gz LYQLKEMJFHAQEC-GJZGRUSLSA-N 1 0 369.425 2.971 20 5 FFBDRO O=C(COc1ccc([N+](=O)[O-])c2cccnc12)OCCC[NH+]1CCCC1 ZINC000800221764 1007210368 /nfs/dbraw/zinc/21/03/68/1007210368.db2.gz XYNRAZMCVOSBIK-UHFFFAOYSA-N 1 0 359.382 2.551 20 5 FFBDRO COc1cc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)ccc1[N+](=O)[O-] ZINC000133620257 1007213445 /nfs/dbraw/zinc/21/34/45/1007213445.db2.gz XZVACDBLAUWLHK-UHFFFAOYSA-N 1 0 370.409 2.608 20 5 FFBDRO C[C@@H]1C[C@H](C(=O)OC(C)(C)C)C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000817288624 1007509458 /nfs/dbraw/zinc/50/94/58/1007509458.db2.gz JUFLLAHKEMXUEE-KMFMINBZSA-N 1 0 364.442 2.928 20 5 FFBDRO CC[C@]([NH3+])(CO)Nc1nnc(-c2ccccc2[N+](=O)[O-])cc1C(F)(F)F ZINC001170860056 1007546020 /nfs/dbraw/zinc/54/60/20/1007546020.db2.gz USOCWHSAELYNBM-CQSZACIVSA-N 1 0 371.319 2.540 20 5 FFBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H](CC(C)C)C[NH+]1CCCC1 ZINC001190569266 1007699043 /nfs/dbraw/zinc/69/90/43/1007699043.db2.gz OWRKYWKIJDDWGP-HNNXBMFYSA-N 1 0 369.487 2.692 20 5 FFBDRO CC(C)C[C@H](C[NH3+])NC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 ZINC000818555303 1007940976 /nfs/dbraw/zinc/94/09/76/1007940976.db2.gz YDBINNKYPUWKAY-OAHLLOKOSA-N 1 0 362.474 2.934 20 5 FFBDRO CCc1noc(C[C@]2(O)CCC[N@@H+]([C@@H](C)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC000856671003 1007942839 /nfs/dbraw/zinc/94/28/39/1007942839.db2.gz LHMDZBNEDXZTQD-SCLBCKFNSA-N 1 0 360.414 2.671 20 5 FFBDRO [NH3+]CCc1ccc(CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 ZINC000818534687 1007950162 /nfs/dbraw/zinc/95/01/62/1007950162.db2.gz UDQUWVMCZZDOFW-UHFFFAOYSA-N 1 0 368.437 2.626 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]Cc2ccc(N3CCCCC3)nc2)c1 ZINC000818961021 1007979852 /nfs/dbraw/zinc/97/98/52/1007979852.db2.gz NHYKKXLAJSZRID-GOSISDBHSA-N 1 0 356.426 2.803 20 5 FFBDRO COc1cc(C[NH2+]CC[C@H](C)NC(=O)OC(C)(C)C)c([N+](=O)[O-])cc1O ZINC000856813435 1007987518 /nfs/dbraw/zinc/98/75/18/1007987518.db2.gz VQAROANMYGSCLE-NSHDSACASA-N 1 0 369.418 2.702 20 5 FFBDRO COc1ccc(CCC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000818975843 1008015501 /nfs/dbraw/zinc/01/55/01/1008015501.db2.gz YRWAVKXCSLTRKL-QGZVFWFLSA-N 1 0 360.410 2.868 20 5 FFBDRO COc1cccc(N2CC[C@H]([NH2+]C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000819012090 1008022247 /nfs/dbraw/zinc/02/22/47/1008022247.db2.gz HJBHXQYJYQNHGX-HNAYVOBHSA-N 1 0 357.410 2.505 20 5 FFBDRO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819071928 1008036721 /nfs/dbraw/zinc/03/67/21/1008036721.db2.gz FGFSLOHVTDWUCI-GDBMZVCRSA-N 1 0 365.430 2.617 20 5 FFBDRO CCN(C(=O)OC(C)(C)C)[C@H](C)C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819275173 1008097769 /nfs/dbraw/zinc/09/77/69/1008097769.db2.gz NDIJVGXJEOAXMI-CZUORRHYSA-N 1 0 367.446 2.863 20 5 FFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@@H]2CCN(c3ccccc3F)C2)c1 ZINC000819325510 1008099541 /nfs/dbraw/zinc/09/95/41/1008099541.db2.gz FLILWJFFWDUQTL-LIRRHRJNSA-N 1 0 359.401 2.883 20 5 FFBDRO CON(C)C(=O)[C@@H](C)[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000858325687 1008346804 /nfs/dbraw/zinc/34/68/04/1008346804.db2.gz IECXPVHXKHCRCA-CQSZACIVSA-N 1 0 372.425 2.861 20 5 FFBDRO O=C(NCCCC[NH+]1CCOCC1)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000858523835 1008374419 /nfs/dbraw/zinc/37/44/19/1008374419.db2.gz WNQVDMNJWYPQDI-UHFFFAOYSA-N 1 0 357.410 2.590 20 5 FFBDRO C[C@H]([NH2+]CC[C@@H](O)COCc1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000858594902 1008388391 /nfs/dbraw/zinc/38/83/91/1008388391.db2.gz JTKZNSWDALUFIH-WMLDXEAASA-N 1 0 359.426 2.795 20 5 FFBDRO O=C1OCCN1c1cc([N+](=O)[O-])ccc1NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000858779850 1008421893 /nfs/dbraw/zinc/42/18/93/1008421893.db2.gz DNBRCAZBVJJPON-OAHLLOKOSA-N 1 0 360.414 2.980 20 5 FFBDRO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886020916 1008518179 /nfs/dbraw/zinc/51/81/79/1008518179.db2.gz KLRRBIBFHHDWJF-CYBMUJFWSA-N 1 0 374.363 2.613 20 5 FFBDRO CC(C)(C)OC(=O)N1C[C@@H]2CN(Cc3cccnc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000886313731 1008631941 /nfs/dbraw/zinc/63/19/41/1008631941.db2.gz ALQZNAPGTYLLDV-KBXCAEBGSA-N 1 0 362.430 2.679 20 5 FFBDRO C[N@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C[C@](C)(O)c1ccccc1 ZINC000822516801 1008665202 /nfs/dbraw/zinc/66/52/02/1008665202.db2.gz QFFIKQSKETZGMB-IBGZPJMESA-N 1 0 358.394 2.706 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@H](O)Cc3ccccc3F)CC2)cc1 ZINC000886671661 1008808342 /nfs/dbraw/zinc/80/83/42/1008808342.db2.gz AQWXOWTWINMOBW-LJQANCHMSA-N 1 0 373.428 2.896 20 5 FFBDRO C[C@@H]1C[C@]2(CC[C@H](C[NH2+][C@H]3CCCC[C@@H]3n3ccc([N+](=O)[O-])n3)O2)CO1 ZINC000886766078 1008866203 /nfs/dbraw/zinc/86/62/03/1008866203.db2.gz BLKRPSIFNULRPJ-KCYAQADSSA-N 1 0 364.446 2.591 20 5 FFBDRO COC[C@H]([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CCCOC1 ZINC000886913798 1008932571 /nfs/dbraw/zinc/93/25/71/1008932571.db2.gz KJDKZTPLCFOFRI-PBHICJAKSA-N 1 0 361.398 2.781 20 5 FFBDRO O=C(NCCCCCC[NH2+]Cc1ccccc1Cl)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001178458666 1008994432 /nfs/dbraw/zinc/99/44/32/1008994432.db2.gz QTVWFACOJIBEIK-GDBMZVCRSA-N 1 0 353.850 2.771 20 5 FFBDRO O=C(NCCCCCC[NH2+]Cc1cccc2cccnc21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001178458342 1008995374 /nfs/dbraw/zinc/99/53/74/1008995374.db2.gz BSTCREXJDGKEDM-QZTJIDSGSA-N 1 0 370.453 2.666 20 5 FFBDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000861171995 1009290057 /nfs/dbraw/zinc/29/00/57/1009290057.db2.gz OXJASHBCTOBQGF-CQSZACIVSA-N 1 0 371.437 2.665 20 5 FFBDRO CC1CCN(c2ccc(C(=O)NC[C@@H]3CCC[NH2+]C3)cc2[N+](=O)[O-])CC1 ZINC000130167365 1009317038 /nfs/dbraw/zinc/31/70/38/1009317038.db2.gz JYVOOOKEDHKMQV-OAHLLOKOSA-N 1 0 360.458 2.561 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H](CO)Cc3ccc(F)cc3)CC2)cc1 ZINC000773131142 1009474236 /nfs/dbraw/zinc/47/42/36/1009474236.db2.gz KINGJGLBJYDMBO-SFHVURJKSA-N 1 0 373.428 2.896 20 5 FFBDRO C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(C[N@@H+]2CCCC3(CC3)CC2)C1=O ZINC000863330883 1010179208 /nfs/dbraw/zinc/17/92/08/1010179208.db2.gz SSPOBIUNBITDNP-GOSISDBHSA-N 1 0 372.425 2.585 20 5 FFBDRO CCCC[NH+]1CCC(N2C(=O)N[C@](C)(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000863503331 1010230389 /nfs/dbraw/zinc/23/03/89/1010230389.db2.gz FVTFVXSHUXAQJS-LJQANCHMSA-N 1 0 374.441 2.626 20 5 FFBDRO Nc1cc(CCCCNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)cc[nH+]1 ZINC001181960379 1010324705 /nfs/dbraw/zinc/32/47/05/1010324705.db2.gz UNZVFMCYLPDTDU-UHFFFAOYSA-N 1 0 367.409 2.666 20 5 FFBDRO CC(C)[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@@H](O)c1ccccc1 ZINC000794601880 1010435388 /nfs/dbraw/zinc/43/53/88/1010435388.db2.gz GISJTUXWMSBBIH-UXPWSPDFSA-N 1 0 374.437 2.682 20 5 FFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]Cc2cccc3c2OCCO3)n1 ZINC000774244597 1010541124 /nfs/dbraw/zinc/54/11/24/1010541124.db2.gz QLJXEHYFPAWXSG-GJZGRUSLSA-N 1 0 358.398 2.836 20 5 FFBDRO Cc1nn(C[N@@H+]2CCC[C@H](C[C@H]3CCOC3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000773262173 1010946430 /nfs/dbraw/zinc/94/64/30/1010946430.db2.gz OCKFNFXBKXTPDA-HUUCEWRRSA-N 1 0 359.430 2.744 20 5 FFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C1CCN(c2cccnn2)CC1 ZINC000866348910 1010980865 /nfs/dbraw/zinc/98/08/65/1010980865.db2.gz ULUGPKGKWMAZMJ-ZDUSSCGKSA-N 1 0 359.405 2.714 20 5 FFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CCO[C@H](c2ccnn2C)C1 ZINC000866372844 1010984853 /nfs/dbraw/zinc/98/48/53/1010984853.db2.gz VDFYAPOCOCWIJE-DWQUBVKVSA-N 1 0 362.405 2.908 20 5 FFBDRO CCOc1ccc(CN(C)C(=O)[C@@](C)(N)c2cccc([N+](=O)[O-])c2)cc1 ZINC000867957356 1011131763 /nfs/dbraw/zinc/13/17/63/1011131763.db2.gz KCDHJHKAZSNFSS-IBGZPJMESA-N 1 0 357.410 2.826 20 5 FFBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)NCCCCc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000868309206 1011239667 /nfs/dbraw/zinc/23/96/67/1011239667.db2.gz GWNGTNSAJGSUQM-SJLPKXTDSA-N 1 0 360.458 2.653 20 5 FFBDRO Cc1ccc(CNC(=O)NCC2CC[NH+](CC3CC3)CC2)cc1[N+](=O)[O-] ZINC000868791492 1011477136 /nfs/dbraw/zinc/47/71/36/1011477136.db2.gz QNBJYGPZSITMGB-UHFFFAOYSA-N 1 0 360.458 2.824 20 5 FFBDRO COC(=O)c1ccc(C[NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)nc1 ZINC001172901683 1012076056 /nfs/dbraw/zinc/07/60/56/1012076056.db2.gz JEUFTYKZLYDIDL-MRXNPFEDSA-N 1 0 355.394 2.814 20 5 FFBDRO O=C1[C@H]2C[N@H+]([C@H]3CCc4ccc([N+](=O)[O-])cc4CC3)C[C@H]2CN1CC1CC1 ZINC001172904460 1012077013 /nfs/dbraw/zinc/07/70/13/1012077013.db2.gz NPDZDNNQLWCKGG-BJLQDIEVSA-N 1 0 369.465 2.642 20 5 FFBDRO Cc1cc(N2CC[C@@H]([NH2+][C@@H]3CCc4ccc([N+](=O)[O-])cc4CC3)C2)ncn1 ZINC001172904586 1012078415 /nfs/dbraw/zinc/07/84/15/1012078415.db2.gz OJQBFTROHHTTAU-QZTJIDSGSA-N 1 0 367.453 2.809 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@@H](CO)[C@@H](O)c1ccccc1)CC2 ZINC001172913865 1012096360 /nfs/dbraw/zinc/09/63/60/1012096360.db2.gz ZWYVDBWWVLMVCY-IHPCNDPISA-N 1 0 356.422 2.526 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H](N1CCO[C@@H](C[NH+]3CCCC3)C1)CC2 ZINC001172912213 1012125387 /nfs/dbraw/zinc/12/53/87/1012125387.db2.gz JTVBXYPWAGEEIE-ICSRJNTNSA-N 1 0 359.470 2.639 20 5 FFBDRO CN1C(=O)CC[C@@H]2C[N@H+]([C@H]3CCc4ccc([N+](=O)[O-])cc4CC3)CC[C@@H]21 ZINC001172912325 1012125724 /nfs/dbraw/zinc/12/57/24/1012125724.db2.gz KTESXICHUNMFKP-AOIWGVFYSA-N 1 0 357.454 2.785 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH2+][C@H]3CC[C@H](O)CC3)CC2)c(F)c1 ZINC001173006796 1012174928 /nfs/dbraw/zinc/17/49/28/1012174928.db2.gz BZFJACKVAQETAV-YEORSEQZSA-N 1 0 355.385 2.735 20 5 FFBDRO CC(C)(O)[C@H](F)C[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173013018 1012184451 /nfs/dbraw/zinc/18/44/51/1012184451.db2.gz NENNYTDHYAMKLN-CQSZACIVSA-N 1 0 361.364 2.540 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C[C@H]2C(=O)Nc3ccccc32)c1F ZINC001173178008 1012321105 /nfs/dbraw/zinc/32/11/05/1012321105.db2.gz FOMCXLDREIBUKW-BXUZGUMPSA-N 1 0 373.384 2.999 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C[C@H]2C(=O)Nc3ccccc32)c1F ZINC001173178011 1012322171 /nfs/dbraw/zinc/32/21/71/1012322171.db2.gz FOMCXLDREIBUKW-SMDDNHRTSA-N 1 0 373.384 2.999 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CC(=O)c2ccc(O)cc2)c1F ZINC001173180822 1012323614 /nfs/dbraw/zinc/32/36/14/1012323614.db2.gz UCIYUGGEOBLVKY-LLVKDONJSA-N 1 0 362.357 2.852 20 5 FFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)OC(C)(C)C ZINC001173223112 1012354826 /nfs/dbraw/zinc/35/48/26/1012354826.db2.gz XXUNDXQHMGYGSY-VZEFYGNVSA-N 1 0 361.442 2.981 20 5 FFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)OC(C)(C)C ZINC001173223109 1012355039 /nfs/dbraw/zinc/35/50/39/1012355039.db2.gz XXUNDXQHMGYGSY-KKBVYLPWSA-N 1 0 361.442 2.981 20 5 FFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccnc(OC2CCOCC2)n1 ZINC001173224098 1012357091 /nfs/dbraw/zinc/35/70/91/1012357091.db2.gz LUBFEKTVRPKKMN-CQSZACIVSA-N 1 0 372.425 2.663 20 5 FFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCN(CCc2ccncc2)CC1 ZINC001173225020 1012358570 /nfs/dbraw/zinc/35/85/70/1012358570.db2.gz AWEUAUXEIMYWGY-KRWDZBQOSA-N 1 0 354.454 2.781 20 5 FFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1C[C@@H]2CN(C(=O)c3ccco3)C[C@H]2C1 ZINC001173226175 1012361078 /nfs/dbraw/zinc/36/10/78/1012361078.db2.gz LBQVVCULMUJDJX-DJIMGWMZSA-N 1 0 369.421 2.823 20 5 FFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)n1ccc2c1ncnc2N1CC[NH2+]CC1 ZINC001173231034 1012364457 /nfs/dbraw/zinc/36/44/57/1012364457.db2.gz IZZUFPCTXYKFEM-AWEZNQCLSA-N 1 0 366.425 2.553 20 5 FFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(NC(=O)c2ccncc2)CC1 ZINC001173233555 1012367293 /nfs/dbraw/zinc/36/72/93/1012367293.db2.gz XFJPREZYZJWEJK-OAHLLOKOSA-N 1 0 368.437 2.815 20 5 FFBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)[C@](C)(N)c2cccc([N+](=O)[O-])c2)C1 ZINC000870920328 1012636935 /nfs/dbraw/zinc/63/69/35/1012636935.db2.gz CTFQDUONBQXZMU-CAQIIQHBSA-N 1 0 374.485 2.633 20 5 FFBDRO CC(C)(C)[NH+]1CCC(N2C(=O)N[C@](C)(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000924519222 1017338940 /nfs/dbraw/zinc/33/89/40/1017338940.db2.gz GMVRXQHYIXJQTA-LJQANCHMSA-N 1 0 374.441 2.625 20 5 FFBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]CCN1CCc3ccccc31)OCCO2 ZINC000748819678 1017680144 /nfs/dbraw/zinc/68/01/44/1017680144.db2.gz MTKGUFGJCJPBLN-UHFFFAOYSA-N 1 0 355.394 2.518 20 5 FFBDRO O=[N+]([O-])c1ccccc1C[C@@H](N[C@H]1C[NH2+]CC2(CCOCC2)C1)C1CC1 ZINC000925798141 1017851389 /nfs/dbraw/zinc/85/13/89/1017851389.db2.gz QRILWMIIILJEPR-QZTJIDSGSA-N 1 0 359.470 2.664 20 5 FFBDRO CCc1ccc([C@@H]([NH2+]CC[C@H]2CNC(=O)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000926978611 1018310532 /nfs/dbraw/zinc/31/05/32/1018310532.db2.gz IGJDCWUWCPCISZ-YJYMSZOUSA-N 1 0 357.410 2.955 20 5 FFBDRO CC(C)Cc1ccc(C[N@@H+]2CCC3(CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)C2)cc1 ZINC001072725153 1020294107 /nfs/dbraw/zinc/29/41/07/1020294107.db2.gz JJNMLHOAFJXUEC-RTBURBONSA-N 1 0 371.481 2.585 20 5 FFBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000802658341 1020298962 /nfs/dbraw/zinc/29/89/62/1020298962.db2.gz VLIOFWFZDFVFJS-UHFFFAOYSA-N 1 0 373.365 2.949 20 5 FFBDRO O=[N+]([O-])c1cn(CN2CC[C@@H](Cc3nccs3)C2)nc1-c1ccccn1 ZINC000902649373 1020373174 /nfs/dbraw/zinc/37/31/74/1020373174.db2.gz JZUXFKSYZVOODA-ZDUSSCGKSA-N 1 0 370.438 2.832 20 5 FFBDRO O=C(CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCOC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000828904060 1032898938 /nfs/dbraw/zinc/89/89/38/1032898938.db2.gz BFBSPVSJLMVKIF-CXAGYDPISA-N 1 0 365.405 2.954 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H](c2c[nH]c3ncccc23)C1 ZINC000931373481 1020442505 /nfs/dbraw/zinc/44/25/05/1020442505.db2.gz ZZBULEURNUDEAP-CQSZACIVSA-N 1 0 354.414 2.856 20 5 FFBDRO CC(C)CC[N@H+](CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O)C1CC1 ZINC000726585017 1020489160 /nfs/dbraw/zinc/48/91/60/1020489160.db2.gz QDJGHPFFLMXZMQ-UHFFFAOYSA-N 1 0 360.414 2.831 20 5 FFBDRO CCOC(=O)N(C)C1CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000726973055 1020562829 /nfs/dbraw/zinc/56/28/29/1020562829.db2.gz YYFIEMWVNXRIHP-UHFFFAOYSA-N 1 0 365.430 2.916 20 5 FFBDRO Cc1nn(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c2ncc([N+](=O)[O-])cc12 ZINC000800865571 1020609357 /nfs/dbraw/zinc/60/93/57/1020609357.db2.gz GGPRTNVHZSKVHJ-UHFFFAOYSA-N 1 0 370.369 2.688 20 5 FFBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000800865399 1020609932 /nfs/dbraw/zinc/60/99/32/1020609932.db2.gz BENXTRIPUGMSOI-UHFFFAOYSA-N 1 0 355.354 2.985 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]([C@]2(C)COC(=O)N2)C1 ZINC000932027430 1020673060 /nfs/dbraw/zinc/67/30/60/1020673060.db2.gz YJUYQKNGZWJLKY-KDOFPFPSSA-N 1 0 363.414 2.704 20 5 FFBDRO Cn1ccc([C@@H]2CCC[N@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)n1 ZINC000932136781 1020715740 /nfs/dbraw/zinc/71/57/40/1020715740.db2.gz QGCKUDVNTKKESR-CQSZACIVSA-N 1 0 357.414 2.537 20 5 FFBDRO O=c1c2cc(O[C@H]3C[NH2+]CCC[C@H]3F)c(O)cc2oc2cccc(O)c12 ZINC001217978311 1032928786 /nfs/dbraw/zinc/92/87/86/1032928786.db2.gz PSLZIIVMHCXYDB-DIFFPNOSSA-N 1 0 359.353 2.826 20 5 FFBDRO COc1ccccc1COC[C@H](O)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000932181624 1020734734 /nfs/dbraw/zinc/73/47/34/1020734734.db2.gz XQNBBSRPIMWPTI-RDTXWAMCSA-N 1 0 360.410 2.832 20 5 FFBDRO Cn1cnc2cc(C[NH2+][C@H]3CCCC[C@@H]3n3ccc([N+](=O)[O-])n3)ccc21 ZINC000903203573 1020737060 /nfs/dbraw/zinc/73/70/60/1020737060.db2.gz BYHVVTVNQUISAY-YOEHRIQHSA-N 1 0 354.414 2.952 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1C ZINC000900980376 1020762627 /nfs/dbraw/zinc/76/26/27/1020762627.db2.gz KSOASDZKRNVSOL-GJZGRUSLSA-N 1 0 363.458 2.831 20 5 FFBDRO COc1cc([C@@H](C)[NH2+]C[C@]2(c3cnn(C)c3)CCCO2)cc([N+](=O)[O-])c1 ZINC000903359890 1020803697 /nfs/dbraw/zinc/80/36/97/1020803697.db2.gz UCJFHJABBLCRJE-ACJLOTCBSA-N 1 0 360.414 2.693 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CC1(O)CCC3(CC1)OCCO3)CCC2 ZINC000903373377 1020810908 /nfs/dbraw/zinc/81/09/08/1020810908.db2.gz VDZVFGOAJAPFTI-KRWDZBQOSA-N 1 0 362.426 2.610 20 5 FFBDRO CCOc1cc(N2CC[NH+](C[C@H](O)c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000749280805 1020915554 /nfs/dbraw/zinc/91/55/54/1020915554.db2.gz GSQKGCDNTWLXKI-IBGZPJMESA-N 1 0 371.437 2.849 20 5 FFBDRO Cc1nccn1-c1cc[nH+]cc1NC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC001116343096 1021173097 /nfs/dbraw/zinc/17/30/97/1021173097.db2.gz WRDHHLDFHKAFSV-UHFFFAOYSA-N 1 0 351.366 2.974 20 5 FFBDRO O=[N+]([O-])c1ccc2c(ccn2Cc2nc([C@@H]3C[NH+]4CCC3CC4)no2)c1 ZINC001116612093 1021308123 /nfs/dbraw/zinc/30/81/23/1021308123.db2.gz DPOJSYSQUUMSKF-OAHLLOKOSA-N 1 0 353.382 2.790 20 5 FFBDRO C[C@H]1CCN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])C[C@H]1n1ccnc1 ZINC000934654451 1021324042 /nfs/dbraw/zinc/32/40/42/1021324042.db2.gz RXKFJJIZAFYAJO-SUMWQHHRSA-N 1 0 360.389 2.973 20 5 FFBDRO CCO[C@@H]1COCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Br ZINC001116685166 1021354221 /nfs/dbraw/zinc/35/42/21/1021354221.db2.gz WIRHPVOBYBLWMF-ZIAGYGMSSA-N 1 0 359.220 2.641 20 5 FFBDRO C[C@@H]1C[C@H](Oc2ccc(I)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC001218060478 1032973653 /nfs/dbraw/zinc/97/36/53/1032973653.db2.gz MSLTUUHFBTYLDB-PSASIEDQSA-N 1 0 362.167 2.719 20 5 FFBDRO O=C(C[N@@H+]1CCCC[C@H]([C@H]2CCOC2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000934840511 1021424663 /nfs/dbraw/zinc/42/46/63/1021424663.db2.gz FXJOBENBFZHDIU-IRXDYDNUSA-N 1 0 373.453 2.623 20 5 FFBDRO Cc1c([N+](=O)[O-])cc(C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000156013728 1022314593 /nfs/dbraw/zinc/31/45/93/1022314593.db2.gz NCYMTMWQFOQITJ-CYBMUJFWSA-N 1 0 364.402 2.662 20 5 FFBDRO C[C@H]1CCC[C@@](CNC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)([NH+](C)C)C1 ZINC000116487785 1022406552 /nfs/dbraw/zinc/40/65/52/1022406552.db2.gz AXOUGLVTBQSVIE-IFXJQAMLSA-N 1 0 362.474 2.901 20 5 FFBDRO O=[N+]([O-])c1ccccc1OCCN1CCOC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000157763199 1022458402 /nfs/dbraw/zinc/45/84/02/1022458402.db2.gz UBHOMXKWNIPZNB-PKOBYXMFSA-N 1 0 372.421 2.798 20 5 FFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCC(=O)N1CCC[C@H](C)C1 ZINC001118990660 1022510724 /nfs/dbraw/zinc/51/07/24/1022510724.db2.gz CAHPYTUHCDRDNB-KBPBESRZSA-N 1 0 351.422 2.903 20 5 FFBDRO C[NH+](C)[C@@H]1Cc2ccccc2N(Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000158546213 1022536326 /nfs/dbraw/zinc/53/63/26/1022536326.db2.gz QIPPBLZIEZXGGA-QGZVFWFLSA-N 1 0 351.410 2.895 20 5 FFBDRO Cn1cc([C@@H](O)C[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)cn1 ZINC000779075824 1022763828 /nfs/dbraw/zinc/76/38/28/1022763828.db2.gz ZEKIYWAWWYMYHU-OALUTQOASA-N 1 0 352.394 2.741 20 5 FFBDRO COC(=O)C1(C2(O)CC[NH+](C/C=C\c3ccccc3[N+](=O)[O-])CC2)CCC1 ZINC001119987425 1023195171 /nfs/dbraw/zinc/19/51/71/1023195171.db2.gz TWMPMYPRIPFKIU-DAXSKMNVSA-N 1 0 374.437 2.778 20 5 FFBDRO O=[N+]([O-])c1ccc2c(ccnc2N2CCC([NH2+]C3CCOCC3)CC2)c1 ZINC001121039179 1023578589 /nfs/dbraw/zinc/57/85/89/1023578589.db2.gz NPZPYJMRONMWNJ-UHFFFAOYSA-N 1 0 356.426 2.880 20 5 FFBDRO C[C@@H]1C[NH2+]CC[C@H]1Oc1ccc(I)c([N+](=O)[O-])c1 ZINC001218414655 1033146840 /nfs/dbraw/zinc/14/68/40/1033146840.db2.gz MCKYLWYWFYVHJO-PRHODGIISA-N 1 0 362.167 2.576 20 5 FFBDRO COCC[NH+]1CCC(OC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC001123050879 1023612098 /nfs/dbraw/zinc/61/20/98/1023612098.db2.gz PQUULYLDMFIREQ-UHFFFAOYSA-N 1 0 370.833 2.835 20 5 FFBDRO CCC[NH+]1CCC(N(C)c2nnc(-c3ccc([N+](=O)[O-])s3)n2C)CC1 ZINC001121268510 1023679882 /nfs/dbraw/zinc/67/98/82/1023679882.db2.gz PVHVZPIPGZXORA-UHFFFAOYSA-N 1 0 364.475 2.762 20 5 FFBDRO CCC[C@@H]1CN(c2nnc([C@@H](C)[N+](=O)[O-])n2C)CC[N@@H+]1Cc1ccccc1 ZINC001121296129 1023692829 /nfs/dbraw/zinc/69/28/29/1023692829.db2.gz GBJYUWLQWPIVII-NVXWUHKLSA-N 1 0 372.473 2.644 20 5 FFBDRO CC[N@H+](CCC1CCN(c2nnc([C@H](C)[N+](=O)[O-])n2C)CC1)CC(C)C ZINC001121295861 1023692954 /nfs/dbraw/zinc/69/29/54/1023692954.db2.gz AJUZVZOYTKGJGT-HNNXBMFYSA-N 1 0 366.510 2.737 20 5 FFBDRO O=[N+]([O-])c1cc(O[C@@H]2C[NH2+]CCC2(F)F)c(F)cc1Br ZINC001218448113 1033160268 /nfs/dbraw/zinc/16/02/68/1033160268.db2.gz MDOAXPRBADZMFK-SNVBAGLBSA-N 1 0 355.110 2.872 20 5 FFBDRO Cc1c(CO)cc([N+](=O)[O-])c(NC[C@@H]2CC[N@@H+](CC(C)C)C2)c1[N+](=O)[O-] ZINC000756980334 1023776460 /nfs/dbraw/zinc/77/64/60/1023776460.db2.gz PCTFKRMKNMTIKN-ZDUSSCGKSA-N 1 0 366.418 2.694 20 5 FFBDRO CC(C)(C)OC(=O)c1ccc([N+](=O)[O-])c(O[C@@H]2C[NH2+]CCC2(F)F)c1 ZINC001218452984 1033162332 /nfs/dbraw/zinc/16/23/32/1033162332.db2.gz PAXPINCAZFJDIA-CYBMUJFWSA-N 1 0 358.341 2.926 20 5 FFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC001218705050 1033291440 /nfs/dbraw/zinc/29/14/40/1033291440.db2.gz SPOHTYJOCRUMLS-LBPRGKRZSA-N 1 0 370.837 2.525 20 5 FFBDRO CC1(C)CCC[N@@H+]1CCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000837178173 1025637441 /nfs/dbraw/zinc/63/74/41/1025637441.db2.gz WTFGNYRTIGEQLN-UHFFFAOYSA-N 1 0 360.458 2.799 20 5 FFBDRO CN(C(=O)c1ccc(N)c([N+](=O)[O-])c1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000837184840 1025641805 /nfs/dbraw/zinc/64/18/05/1025641805.db2.gz NOHIFWOFRPBJJO-UHFFFAOYSA-N 1 0 374.363 2.666 20 5 FFBDRO [NH3+]CC1(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)CCCCC1 ZINC000639001073 1026123600 /nfs/dbraw/zinc/12/36/00/1026123600.db2.gz HTIIKOVJNUQVHQ-UHFFFAOYSA-N 1 0 363.461 2.933 20 5 FFBDRO Cc1cc(OCC(=O)N[C@@H](CC(C)C)C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC001141548793 1026554422 /nfs/dbraw/zinc/55/44/22/1026554422.db2.gz JJINZWDAKUPFFS-INIZCTEOSA-N 1 0 363.458 2.909 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+]C(C)(C)C1CCOCC1 ZINC000839584627 1026746924 /nfs/dbraw/zinc/74/69/24/1026746924.db2.gz AINOTYATWKWQBD-UHFFFAOYSA-N 1 0 365.430 2.727 20 5 FFBDRO C[C@H]1CN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1Cc1ccccc1 ZINC000839646347 1026773103 /nfs/dbraw/zinc/77/31/03/1026773103.db2.gz IGNVDPJUTZBBEK-OXJNMPFZSA-N 1 0 355.438 2.835 20 5 FFBDRO CO[C@@H]1C[C@H]([N@H+](C)Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C12CCC2 ZINC000840140147 1026979404 /nfs/dbraw/zinc/97/94/04/1026979404.db2.gz MFGKZCZRBIYKIO-JKSUJKDBSA-N 1 0 357.414 2.700 20 5 FFBDRO Cc1c(C(=O)OCC[C@H]2CCCC[N@H+]2C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000840231145 1027013404 /nfs/dbraw/zinc/01/34/04/1027013404.db2.gz ZBGVVWRCCCKGIG-CQSZACIVSA-N 1 0 373.413 2.515 20 5 FFBDRO CCOC(=O)C1(Nc2ccc3c(cccc3[N+](=O)[O-])n2)CC[NH+](C)CC1 ZINC001158572592 1027063778 /nfs/dbraw/zinc/06/37/78/1027063778.db2.gz QAXWELOXUCMRAF-UHFFFAOYSA-N 1 0 358.398 2.582 20 5 FFBDRO CCOC(=O)c1c(Nc2ccc(N)c([N+](=O)[O-])c2)sc2c1CC[NH2+]C2 ZINC001159209535 1027313507 /nfs/dbraw/zinc/31/35/07/1027313507.db2.gz ZPLVWVRBIYQTKA-UHFFFAOYSA-N 1 0 362.411 2.805 20 5 FFBDRO [NH3+][C@@H]1CCc2c3ccccc3n(-c3cc([N+](=O)[O-])cc(Cl)[n+]3[O-])c2C1 ZINC001159948952 1027542210 /nfs/dbraw/zinc/54/22/10/1027542210.db2.gz LXYHORANLQDMFO-SNVBAGLBSA-N 1 0 358.785 2.642 20 5 FFBDRO Cc1ccc(C[N@H+]2CC=C(CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c(C)c1 ZINC001160107603 1027595421 /nfs/dbraw/zinc/59/54/21/1027595421.db2.gz OYVDHLSFPYQEII-RTBURBONSA-N 1 0 357.454 2.607 20 5 FFBDRO CC[C@@H](C)C1CCC(Nc2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])CC1 ZINC001160668133 1027793239 /nfs/dbraw/zinc/79/32/39/1027793239.db2.gz SKTJLOFIOTWLFC-WLYUNCDWSA-N 1 0 362.478 2.811 20 5 FFBDRO Cc1nn(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)c(C)c1[N+](=O)[O-] ZINC000795690953 1027813426 /nfs/dbraw/zinc/81/34/26/1027813426.db2.gz BTNPHBLLINVNRF-FGTMMUONSA-N 1 0 356.426 2.870 20 5 FFBDRO CSc1nc(Cl)nc(N[C@H]2CC[NH2+]C[C@H]2C(F)(F)F)c1[N+](=O)[O-] ZINC001160739472 1027847851 /nfs/dbraw/zinc/84/78/51/1027847851.db2.gz MQCKCFCFDYCKJC-RITPCOANSA-N 1 0 371.772 2.712 20 5 FFBDRO C[NH+](C)C[C@@]12C[C@@H]1CN(C(=O)c1ccc3oc4ccccc4c(=O)c3c1)C2 ZINC001153421633 1027873838 /nfs/dbraw/zinc/87/38/38/1027873838.db2.gz CXVQWAIKPJDXBM-IVZQSRNASA-N 1 0 362.429 2.970 20 5 FFBDRO CC(C)c1ccc(CCNc2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])cc1 ZINC001160813738 1027886234 /nfs/dbraw/zinc/88/62/34/1027886234.db2.gz XYXORTDEHGMMEU-UHFFFAOYSA-N 1 0 370.457 2.572 20 5 FFBDRO O=[N+]([O-])c1ccc2ncc(NC3CC[NH+](CC4CCOCC4)CC3)nc2c1 ZINC001161211779 1028069713 /nfs/dbraw/zinc/06/97/13/1028069713.db2.gz CUNJLRAUUPKIHW-UHFFFAOYSA-N 1 0 371.441 2.841 20 5 FFBDRO COc1cc(C)nc(N(c2ccncn2)[C@H]2CC[C@H]([NH3+])CC2)c1[N+](=O)[O-] ZINC001161364558 1028147183 /nfs/dbraw/zinc/14/71/83/1028147183.db2.gz RATXDKYJIRWXQT-JOCQHMNTSA-N 1 0 358.402 2.505 20 5 FFBDRO COc1cnc(Nc2ccc(Br)cc2C[NH3+])c([N+](=O)[O-])c1 ZINC001161852390 1028333857 /nfs/dbraw/zinc/33/38/57/1028333857.db2.gz OOTOKRRJBNTBCN-UHFFFAOYSA-N 1 0 353.176 2.963 20 5 FFBDRO COc1cccc(CC2([NH3+])CCN(c3ncc(OC)cc3[N+](=O)[O-])CC2)c1 ZINC001162048463 1028415286 /nfs/dbraw/zinc/41/52/86/1028415286.db2.gz XQLKFNKVVWXRBD-UHFFFAOYSA-N 1 0 372.425 2.547 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)ncnc2N1CC[N@@H+]2CCc3ccccc3[C@@H]2C1 ZINC001155090610 1028574807 /nfs/dbraw/zinc/57/48/07/1028574807.db2.gz GVOIYCLASAHRPC-IBGZPJMESA-N 1 0 361.405 2.957 20 5 FFBDRO Cc1cc(NC[C@@]2(F)CCCC[NH2+]C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001155118894 1028586531 /nfs/dbraw/zinc/58/65/31/1028586531.db2.gz MSCGPCDXFURGRR-GOSISDBHSA-N 1 0 359.405 2.676 20 5 FFBDRO CCOC1(OCC)CC[NH2+]C[C@H]1Nc1ccc2ccc([N+](=O)[O-])cc2n1 ZINC001155227531 1028635163 /nfs/dbraw/zinc/63/51/63/1028635163.db2.gz OUSLUSTYGJVVLI-MRXNPFEDSA-N 1 0 360.414 2.686 20 5 FFBDRO CCOC1(OCC)CC[NH2+]C[C@@H]1Nc1ccnc2c1cccc2[N+](=O)[O-] ZINC001162736927 1028638788 /nfs/dbraw/zinc/63/87/88/1028638788.db2.gz DNGCRRGFRKXEIC-INIZCTEOSA-N 1 0 360.414 2.686 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(NC[C@H]2CCC3(CC[NH2+]CC3)CO2)nc1Cl ZINC001155381829 1028708570 /nfs/dbraw/zinc/70/85/70/1028708570.db2.gz FAFKYUMIWAUXSC-GFCCVEGCSA-N 1 0 354.838 2.912 20 5 FFBDRO Cc1ccc2c(c1)[C@@H](Nc1c[n+]([O-])ccc1[N+](=O)[O-])CC21CC[NH2+]CC1 ZINC001163033182 1028766446 /nfs/dbraw/zinc/76/64/46/1028766446.db2.gz BXKPJVKZSDVGJR-INIZCTEOSA-N 1 0 354.410 2.715 20 5 FFBDRO O=[N+]([O-])c1cc2c(nc1NCC[C@H]1C[NH2+]Cc3cccn3C1)CCCC2 ZINC001163056957 1028779573 /nfs/dbraw/zinc/77/95/73/1028779573.db2.gz WRDJYXDNWMGWLN-AWEZNQCLSA-N 1 0 355.442 2.892 20 5 FFBDRO Cc1c(Cl)nc(-c2ccc([N+](=O)[O-])cc2)nc1N[C@H]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC001163261595 1028858169 /nfs/dbraw/zinc/85/81/69/1028858169.db2.gz FGWZJPARXFUHAR-SNPRPXQTSA-N 1 0 373.844 2.845 20 5 FFBDRO COC(=O)c1ccc([C@H]([NH3+])CNc2nc(Cl)c(C)cc2[N+](=O)[O-])cc1 ZINC001163461528 1028934470 /nfs/dbraw/zinc/93/44/70/1028934470.db2.gz HUMFGZVPQJDSHN-GFCCVEGCSA-N 1 0 364.789 2.850 20 5 FFBDRO COC(=O)c1ccc([C@@H]([NH3+])CNc2cc(Cl)cc([N+](=O)[O-])n2)cc1 ZINC001163463449 1028937581 /nfs/dbraw/zinc/93/75/81/1028937581.db2.gz YXDZUUAMSJHFCE-LBPRGKRZSA-N 1 0 350.762 2.542 20 5 FFBDRO C[C@@H]1[C@H](NC(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC001155894205 1028963864 /nfs/dbraw/zinc/96/38/64/1028963864.db2.gz SHDSLIHJCBPEPE-JYYAWHABSA-N 1 0 374.485 2.900 20 5 FFBDRO O=[N+]([O-])c1cc(F)cc2ccc(N[C@H]3CCCC[C@@]34C[NH2+]CCO4)nc21 ZINC001163644252 1029005677 /nfs/dbraw/zinc/00/56/77/1029005677.db2.gz CINLCWZRIVSPKH-MAUKXSAKSA-N 1 0 360.389 2.995 20 5 FFBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N2CC[NH2+]C[C@H]2c2cccs2)n1 ZINC001156089389 1029041639 /nfs/dbraw/zinc/04/16/39/1029041639.db2.gz MAJCOJQVXPRUEM-QMMMGPOBSA-N 1 0 371.875 2.973 20 5 FFBDRO O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1-n1c2ccccc2nc1C1CC[NH2+]CC1 ZINC001163760090 1029051910 /nfs/dbraw/zinc/05/19/10/1029051910.db2.gz OCKUYHYMODIQOH-UHFFFAOYSA-N 1 0 373.800 2.688 20 5 FFBDRO O=[N+]([O-])c1cccc2ncnc(-n3ccc4cc(N5CC[NH2+]CC5)ccc43)c21 ZINC001156220151 1029099976 /nfs/dbraw/zinc/09/99/76/1029099976.db2.gz BKGKPECXYKDNIF-UHFFFAOYSA-N 1 0 374.404 2.892 20 5 FFBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001156318188 1029143394 /nfs/dbraw/zinc/14/33/94/1029143394.db2.gz QBMZISQPEFCCKX-RCCFBDPRSA-N 1 0 368.437 2.859 20 5 FFBDRO O=[N+]([O-])c1c(NCCCOc2ccc(Cl)cc2)ncnc1C1C[NH2+]C1 ZINC001164235004 1029213992 /nfs/dbraw/zinc/21/39/92/1029213992.db2.gz KOHPYLKWHPZUTE-UHFFFAOYSA-N 1 0 363.805 2.606 20 5 FFBDRO COc1nc(N2C[C@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001165090375 1029379937 /nfs/dbraw/zinc/37/99/37/1029379937.db2.gz YTJKYOBRZMZPII-NVXWUHKLSA-N 1 0 354.410 2.709 20 5 FFBDRO Nc1nc(N2CCC([N@@H+]3CCc4ccccc4C3)CC2)ccc1[N+](=O)[O-] ZINC001165151618 1029423502 /nfs/dbraw/zinc/42/35/02/1029423502.db2.gz WSXCROVKCLAUOF-UHFFFAOYSA-N 1 0 353.426 2.599 20 5 FFBDRO CNC(=O)[C@H](CCCC[NH3+])NC(=O)c1c2ccccc2cc2ccccc21 ZINC001157356578 1029564702 /nfs/dbraw/zinc/56/47/02/1029564702.db2.gz NIWWNPDEEVUXIS-IBGZPJMESA-N 1 0 363.461 2.966 20 5 FFBDRO O=C(COc1ccc([N+](=O)[O-])c2cccnc12)Nc1ccc2c[nH+]cn2c1 ZINC001157396207 1029574414 /nfs/dbraw/zinc/57/44/14/1029574414.db2.gz IVFOPGWOICAJMS-UHFFFAOYSA-N 1 0 363.333 2.808 20 5 FFBDRO C[C@@H]1C[N@H+](CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)[C@@H]2CCCC[C@H]21 ZINC000782277749 1029637261 /nfs/dbraw/zinc/63/72/61/1029637261.db2.gz RUVBNDZSKGNWKI-XOKHGSTOSA-N 1 0 372.425 2.831 20 5 FFBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N[C@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)n1 ZINC001158272411 1029782375 /nfs/dbraw/zinc/78/23/75/1029782375.db2.gz ZRUYJLBRTLBETH-SJCJKPOMSA-N 1 0 364.450 2.607 20 5 FFBDRO Cc1cc(N(c2cc(Cl)cc([N+](=O)[O-])n2)C2CC[NH2+]CC2)nc(C)n1 ZINC001158391869 1029818452 /nfs/dbraw/zinc/81/84/52/1029818452.db2.gz MDQZQBPRYPBOAI-UHFFFAOYSA-N 1 0 362.821 2.940 20 5 FFBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N2CC[N@H+](C)CC23CCCC3)n1 ZINC001158408212 1029820670 /nfs/dbraw/zinc/82/06/70/1029820670.db2.gz CMWLOJNAXQIKLG-UHFFFAOYSA-N 1 0 357.867 2.825 20 5 FFBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001165324273 1029947002 /nfs/dbraw/zinc/94/70/02/1029947002.db2.gz PUWTUUJMACIPNM-INIZCTEOSA-N 1 0 362.430 2.525 20 5 FFBDRO CC(C)(C)N(c1nc(Cl)ncc1[N+](=O)[O-])[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001165670834 1030078105 /nfs/dbraw/zinc/07/81/05/1030078105.db2.gz BBOJTSMGMUMUIT-NSHDSACASA-N 1 0 369.853 2.554 20 5 FFBDRO Cc1cccc(N(c2cc([N+](=O)[O-])ccn2)[C@@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC001165773165 1030118462 /nfs/dbraw/zinc/11/84/62/1030118462.db2.gz WJQLUCMXKNXNAE-PKOBYXMFSA-N 1 0 354.410 2.957 20 5 FFBDRO Cc1cccc(N(c2cc([N+](=O)[O-])ccn2)[C@@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001165773160 1030118524 /nfs/dbraw/zinc/11/85/24/1030118524.db2.gz WJQLUCMXKNXNAE-HKUYNNGSSA-N 1 0 354.410 2.957 20 5 FFBDRO COc1cc2ncnc(N3CCC([C@H]4CCC[NH2+]4)CC3)c2cc1[N+](=O)[O-] ZINC001166902216 1030568540 /nfs/dbraw/zinc/56/85/40/1030568540.db2.gz AOGPERNAZFYZBX-CQSZACIVSA-N 1 0 357.414 2.515 20 5 FFBDRO COc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC001203397363 1030685466 /nfs/dbraw/zinc/68/54/66/1030685466.db2.gz SUAGMYSUCYBVLH-HDJSIYSDSA-N 1 0 365.430 2.996 20 5 FFBDRO Nc1cc([N+](=O)[O-])ccc1C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC001142681541 1030717291 /nfs/dbraw/zinc/71/72/91/1030717291.db2.gz RIGMVEALVYUQEO-UHFFFAOYSA-N 1 0 374.466 2.881 20 5 FFBDRO O=[N+]([O-])c1cn(C[N@@H+]2CCC[C@H]2[C@H]2CCCOC2)nc1-c1ccncc1 ZINC000842620349 1030835856 /nfs/dbraw/zinc/83/58/56/1030835856.db2.gz ZZKCNXDMRPBSTA-HOTGVXAUSA-N 1 0 357.414 2.702 20 5 FFBDRO O=C(OCc1cc2n(n1)CCCC2)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000843020056 1031129748 /nfs/dbraw/zinc/12/97/48/1031129748.db2.gz CTANOJFUAXKAIH-UHFFFAOYSA-N 1 0 367.365 2.670 20 5 FFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@@H](O)c2cccc(C(F)(F)F)c2)c1 ZINC000843073047 1031171833 /nfs/dbraw/zinc/17/18/33/1031171833.db2.gz MOOCIRHVROVIQT-CVEARBPZSA-N 1 0 370.327 2.970 20 5 FFBDRO [NH3+]C[C@H]1c2ccccc2CCN1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000843390824 1031371580 /nfs/dbraw/zinc/37/15/80/1031371580.db2.gz FSZMHLURDKGMBW-KRWDZBQOSA-N 1 0 374.828 2.745 20 5 FFBDRO O=C(Nc1cnn(C2CC[NH2+]CC2)c1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000843457582 1031413672 /nfs/dbraw/zinc/41/36/72/1031413672.db2.gz XXGPMWQVABHUNQ-UHFFFAOYSA-N 1 0 355.354 2.714 20 5 FFBDRO O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000843470337 1031417330 /nfs/dbraw/zinc/41/73/30/1031417330.db2.gz XOOFZEOUWFXRHV-UHFFFAOYSA-N 1 0 372.469 2.801 20 5 FFBDRO COC(=O)[C@H]1[C@H](C[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1(F)F ZINC001205642254 1031898486 /nfs/dbraw/zinc/89/84/86/1031898486.db2.gz HCHPXWBCPBOGCY-WDEREUQCSA-N 1 0 368.258 2.758 20 5 FFBDRO Nc1cc2nc3ccccc3nc2cc1NC(=O)[C@H]([NH3+])Cc1cccc(O)c1 ZINC001218857319 1033379472 /nfs/dbraw/zinc/37/94/72/1033379472.db2.gz KIWZHTPKCNHOPE-OAHLLOKOSA-N 1 0 373.416 2.579 20 5 FFBDRO COc1ncnc(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)c1[N+](=O)[O-] ZINC000312976078 1033704183 /nfs/dbraw/zinc/70/41/83/1033704183.db2.gz KWCKSZVYKIQZBA-BZUAXINKSA-N 1 0 369.425 2.716 20 5 FFBDRO O=C(Nc1ccc([N+](=O)[O-])c2ccccc12)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC001220437517 1034176832 /nfs/dbraw/zinc/17/68/32/1034176832.db2.gz DIPRONZYWOAIMA-CQSZACIVSA-N 1 0 372.425 2.716 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(O[C@H]2CC[C@@H]([NH+]3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC001225594676 1034326350 /nfs/dbraw/zinc/32/63/50/1034326350.db2.gz UVDOHXKPYRRDCB-OKILXGFUSA-N 1 0 365.386 2.834 20 5 FFBDRO CCOc1cccc(C[N@H+](CCO)C[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000832660258 1034898451 /nfs/dbraw/zinc/89/84/51/1034898451.db2.gz STHVRCUDTUVFDD-LJQANCHMSA-N 1 0 360.410 2.521 20 5 FFBDRO CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CC[C@H]1[NH3+] ZINC000834642191 1035422172 /nfs/dbraw/zinc/42/21/72/1035422172.db2.gz QHLSCOGHQPQPAW-WMLDXEAASA-N 1 0 360.458 2.785 20 5 FFBDRO CC[N@@H+]1CC[C@H](Oc2ccccc2C(=O)Nc2ncc([N+](=O)[O-])s2)C1 ZINC001227515536 1035593722 /nfs/dbraw/zinc/59/37/22/1035593722.db2.gz LSGDOUXCTDDICN-NSHDSACASA-N 1 0 362.411 2.777 20 5 FFBDRO C[C@@H](OC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)C(=O)OC(C)(C)C ZINC000835407329 1035754469 /nfs/dbraw/zinc/75/44/69/1035754469.db2.gz ZYYCWCMMXQQZKS-LLVKDONJSA-N 1 0 361.354 2.668 20 5 FFBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc2ccc(Br)cc2c1 ZINC001228110751 1035940080 /nfs/dbraw/zinc/94/00/80/1035940080.db2.gz MKTKYILWBRWWQF-OAHLLOKOSA-N 1 0 367.263 2.965 20 5 FFBDRO Cc1nc(OC2CCN(CCF)CC2)c(Br)cc1[N+](=O)[O-] ZINC001228621437 1036211449 /nfs/dbraw/zinc/21/14/49/1036211449.db2.gz SOBCIMPTFGHNQV-UHFFFAOYSA-N 1 0 362.199 2.873 20 5 FFBDRO CC[N@@H+]1CC[C@@H](Oc2cc(I)ccc2[N+](=O)[O-])C1 ZINC001229153052 1036526229 /nfs/dbraw/zinc/52/62/29/1036526229.db2.gz ZCGBZQNGBWTPOQ-SNVBAGLBSA-N 1 0 362.167 2.672 20 5 FFBDRO CC(=O)O[C@H]1C[C@@H]2C[C@H](Oc3ccc(Cl)cc3[N+](=O)[O-])C[C@H]1[N@@H+]2C ZINC001229380735 1036643796 /nfs/dbraw/zinc/64/37/96/1036643796.db2.gz NWJIJAHQSHHGKS-JFILPPLUSA-N 1 0 354.790 2.794 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)ncnc2O[C@H]1CC[C@H]([NH+]2CCOCC2)CC1 ZINC001229403356 1036653385 /nfs/dbraw/zinc/65/33/85/1036653385.db2.gz QGRRRHLDHOTQOT-CTYIDZIISA-N 1 0 358.398 2.560 20 5 FFBDRO CC(=O)O[C@H]1C[C@@H]2C[C@H](Oc3c4cccnc4ccc3[N+](=O)[O-])C[C@H]1[N@@H+]2C ZINC001233783859 1036761244 /nfs/dbraw/zinc/76/12/44/1036761244.db2.gz AGIVBLWFNYINJU-UHIXZJCNSA-N 1 0 371.393 2.689 20 5 FFBDRO C[C@@H](C[NH+](C)C)Oc1ccc(I)c([N+](=O)[O-])c1 ZINC001229952176 1036995881 /nfs/dbraw/zinc/99/58/81/1036995881.db2.gz XGBNKASCWHRSTE-QMMMGPOBSA-N 1 0 350.156 2.528 20 5 FFBDRO CN1[C@@H]2C[C@@H](Oc3cc(N4CCCCC4)ccc3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001234364956 1037006224 /nfs/dbraw/zinc/00/62/24/1037006224.db2.gz YNLMMKHKSUFHHL-POZUXBRTSA-N 1 0 359.426 2.768 20 5 FFBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cc(Br)cc(Cl)c1F ZINC001230273357 1037186928 /nfs/dbraw/zinc/18/69/28/1037186928.db2.gz ZHBXLZVJDAZITL-SECBINFHSA-N 1 0 369.638 2.604 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(OC[C@@H]2CCC3(CC[NH+](C)CC3)O2)cc1[N+](=O)[O-] ZINC001230491143 1037293802 /nfs/dbraw/zinc/29/38/02/1037293802.db2.gz JHUFIYVORBOQTM-ZDUSSCGKSA-N 1 0 365.386 2.834 20 5 FFBDRO COC(=O)COc1ccc(C[N@H+](C)[C@@H]2CC[C@H](SC)C2)cc1[N+](=O)[O-] ZINC001255648831 1038101394 /nfs/dbraw/zinc/10/13/94/1038101394.db2.gz KNKDZHRVQCSYPC-KGLIPLIRSA-N 1 0 368.455 2.863 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC001208345694 1038234988 /nfs/dbraw/zinc/23/49/88/1038234988.db2.gz YGPXURCCNYRSCE-OCCSQVGLSA-N 1 0 369.487 2.610 20 5 FFBDRO CCc1coc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])c(OC)c3)CC2)n1 ZINC001256082209 1038366780 /nfs/dbraw/zinc/36/67/80/1038366780.db2.gz BLMJXUQQDACBMO-UHFFFAOYSA-N 1 0 360.414 2.912 20 5 FFBDRO COc1cc(N2CCC([NH2+]C[C@H]3CC[C@H](O)CC3)CC2)ccc1[N+](=O)[O-] ZINC001256092192 1038376728 /nfs/dbraw/zinc/37/67/28/1038376728.db2.gz HRJFWQCRWYRYLP-CZIWCDLHSA-N 1 0 363.458 2.713 20 5 FFBDRO COc1cc(N2CCC([NH2+][C@H]3CCN(C)C[C@H]3C)CC2)ccc1[N+](=O)[O-] ZINC001256094096 1038378702 /nfs/dbraw/zinc/37/87/02/1038378702.db2.gz GLKVUSRFMHFCRX-PBHICJAKSA-N 1 0 362.474 2.502 20 5 FFBDRO COc1cc(N2CCC([N@H+](C)[C@H]3CC[C@H](O)CC3)CC2)ccc1[N+](=O)[O-] ZINC001256093039 1038379878 /nfs/dbraw/zinc/37/98/78/1038379878.db2.gz FDFUIJIKFMKHGK-CZIWCDLHSA-N 1 0 363.458 2.808 20 5 FFBDRO COc1cc(N2CCC([N@@H+]3CC[C@@H](C)[C@](C)(O)C3)CC2)ccc1[N+](=O)[O-] ZINC001256093090 1038380632 /nfs/dbraw/zinc/38/06/32/1038380632.db2.gz GGMMVOQKXNNIPI-AUUYWEPGSA-N 1 0 363.458 2.665 20 5 FFBDRO COc1ccc(-c2nc3c(cccc3N3CC[NH+](C)CC3)[nH]2)cc1[N+](=O)[O-] ZINC001250914831 1038806941 /nfs/dbraw/zinc/80/69/41/1038806941.db2.gz HVMUONMNKJMTOC-UHFFFAOYSA-N 1 0 367.409 2.899 20 5 FFBDRO Cc1c(-c2nnc(CC[NH+]3C[C@@H](C)O[C@H](C)C3)o2)cc(F)cc1[N+](=O)[O-] ZINC001258147239 1039229949 /nfs/dbraw/zinc/22/99/49/1039229949.db2.gz XIAAHJCBYSQLAI-GHMZBOCLSA-N 1 0 364.377 2.744 20 5 FFBDRO C[C@@H]1CC[C@@H](C[NH3+])N(C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)C1 ZINC001246569314 1039401079 /nfs/dbraw/zinc/40/10/79/1039401079.db2.gz OTIWZJASLGSYQN-OCCSQVGLSA-N 1 0 368.428 2.901 20 5 FFBDRO c1cnc2c(c1)ccc1ccc(-c3noc([C@H]4COCCC45C[NH2+]C5)n3)nc12 ZINC001247878231 1040016111 /nfs/dbraw/zinc/01/61/11/1040016111.db2.gz SIAAEGWHLODWKU-OAHLLOKOSA-N 1 0 373.416 2.927 20 5 FFBDRO Cc1c(Nc2cncc(N3CC[NH+](C)CC3)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001211291718 1040062633 /nfs/dbraw/zinc/06/26/33/1040062633.db2.gz KQMVCGDPDXOIHF-UHFFFAOYSA-N 1 0 372.385 2.702 20 5 FFBDRO Cc1cc(-c2noc(C[C@H]([NH3+])Cc3ccc([N+](=O)[O-])cc3)n2)cnc1C ZINC001248213339 1040176253 /nfs/dbraw/zinc/17/62/53/1040176253.db2.gz BKEBCWTVJOCQDW-OAHLLOKOSA-N 1 0 353.382 2.769 20 5 FFBDRO N[C@H](c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1)C1Cc2ccccc2C1 ZINC001248253054 1040194159 /nfs/dbraw/zinc/19/41/59/1040194159.db2.gz VCJUXROUGSTLML-AWEZNQCLSA-N 1 0 355.329 2.594 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(Cc2nc(-c3ccc4c(n3)CC[NH2+]C4)no2)c1 ZINC001249285326 1040667470 /nfs/dbraw/zinc/66/74/70/1040667470.db2.gz NRTQKKBXJYVFCJ-UHFFFAOYSA-N 1 0 351.366 2.585 20 5 FFBDRO O=[N+]([O-])c1c(Cl)cccc1Cc1nc(-c2ccc3c(n2)CC[NH2+]C3)no1 ZINC001249301911 1040673664 /nfs/dbraw/zinc/67/36/64/1040673664.db2.gz FBEVACKDVSPIOQ-UHFFFAOYSA-N 1 0 371.784 2.930 20 5 FFBDRO COC(=O)[C@]1(C)CCC[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254479957 1040745683 /nfs/dbraw/zinc/74/56/83/1040745683.db2.gz RPMPTXODVJQXAR-LJQANCHMSA-N 1 0 361.442 2.839 20 5 FFBDRO O=C1OCCC12CC[NH+](C1CCN(c3ccc([N+](=O)[O-])cc3)CC1)CC2 ZINC001254481735 1040746900 /nfs/dbraw/zinc/74/69/00/1040746900.db2.gz ZPOINAQGQRNMOI-UHFFFAOYSA-N 1 0 359.426 2.593 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CCN(C(=O)N2CCCC2)CC1 ZINC001254536216 1040787532 /nfs/dbraw/zinc/78/75/32/1040787532.db2.gz ORTXGHUXYVYBKI-OAHLLOKOSA-N 1 0 360.458 2.796 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(N2CCCNC2=O)nc1 ZINC001254548680 1040793235 /nfs/dbraw/zinc/79/32/35/1040793235.db2.gz KIXLKFHKIRGOCO-AWEZNQCLSA-N 1 0 369.425 2.630 20 5 FFBDRO Cc1noc(C[C@H]2C[C@H]3C[N@@H+]([C@H](C)Cc4ccccc4[N+](=O)[O-])C[C@H]3O2)n1 ZINC001254559477 1040796769 /nfs/dbraw/zinc/79/67/69/1040796769.db2.gz YCZIQSSZCPURCD-BUIXCFAXSA-N 1 0 372.425 2.549 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]C[C@H]1OCCc3cn(CC4CC4)nc31)C2 ZINC001254572871 1040810307 /nfs/dbraw/zinc/81/03/07/1040810307.db2.gz UGGTWUVMROGAKA-PKOBYXMFSA-N 1 0 368.437 2.572 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]C[C@H]1CN(c3ccccc3)CCO1)C2 ZINC001254578173 1040812953 /nfs/dbraw/zinc/81/29/53/1040812953.db2.gz BCBKWDFSOYYZDG-PXNSSMCTSA-N 1 0 353.422 2.557 20 5 FFBDRO C[C@@H]([NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC001254581273 1040814593 /nfs/dbraw/zinc/81/45/93/1040814593.db2.gz NMAOJAXZLRUUAJ-MLGOLLRUSA-N 1 0 361.442 2.907 20 5 FFBDRO COC(=O)CCc1ccc(C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC001254584754 1040816527 /nfs/dbraw/zinc/81/65/27/1040816527.db2.gz JMNCGWIWHFCQTC-SFHVURJKSA-N 1 0 354.406 2.957 20 5 FFBDRO CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@@H]2C1 ZINC001254594403 1040822120 /nfs/dbraw/zinc/82/21/20/1040822120.db2.gz QQTDNXRBEQTQIM-SOLBZPMBSA-N 1 0 373.453 2.861 20 5 FFBDRO CC(=O)N1CCCC[C@]12CCC[N@@H+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254594723 1040822957 /nfs/dbraw/zinc/82/29/57/1040822957.db2.gz HFDYZDJQMMYBOK-VQTJNVASSA-N 1 0 357.454 2.929 20 5 FFBDRO CCOC[C@@H]1C[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)Cc2cnn(CC)c21 ZINC001254594263 1040823103 /nfs/dbraw/zinc/82/31/03/1040823103.db2.gz CQTRVZGFUAQVAC-PKOBYXMFSA-N 1 0 370.453 2.914 20 5 FFBDRO COc1ccccc1N1CC[NH+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254599311 1040829648 /nfs/dbraw/zinc/82/96/48/1040829648.db2.gz NQTCLRIKFCRGDG-GOSISDBHSA-N 1 0 353.422 2.893 20 5 FFBDRO CC[N@H+]([C@H]1CCOC1)C1CCN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254603065 1040831844 /nfs/dbraw/zinc/83/18/44/1040831844.db2.gz LGPRKSNSKSWTQX-PMACEKPBSA-N 1 0 359.470 2.637 20 5 FFBDRO CC(C)(C)OC(=O)NCCC1C[NH+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254604867 1040834497 /nfs/dbraw/zinc/83/44/97/1040834497.db2.gz XXGAANLCGULFES-QGZVFWFLSA-N 1 0 361.442 2.909 20 5 FFBDRO O=C1c2ccccc2CN1[C@H]1CC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254611028 1040838803 /nfs/dbraw/zinc/83/88/03/1040838803.db2.gz ONIOULCSNNIAIB-OALUTQOASA-N 1 0 363.417 2.792 20 5 FFBDRO COc1cccnc1N([C@H]1Cc2ccc([N+](=O)[O-])cc2C1)C1CC[NH2+]CC1 ZINC001254612484 1040841902 /nfs/dbraw/zinc/84/19/02/1040841902.db2.gz WXEMXVNRNMPYKK-SFHVURJKSA-N 1 0 368.437 2.724 20 5 FFBDRO COc1ccc(O[C@H]2CC[N@@H+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)nc1 ZINC001254612159 1040842163 /nfs/dbraw/zinc/84/21/63/1040842163.db2.gz VOQVWGVIPOALTC-AEFFLSMTSA-N 1 0 355.394 2.619 20 5 FFBDRO O=C(/C=C/[C@H]1CCC[NH2+]C1)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC001262044402 1041527490 /nfs/dbraw/zinc/52/74/90/1041527490.db2.gz GGHLNRCALOXYHA-ZXCPCRMDSA-N 1 0 368.231 2.529 20 5 FFBDRO CN(CCc1ccccc1[N+](=O)[O-])c1nnc([C@H]2CCCCN2C)n1C ZINC001262904116 1041948700 /nfs/dbraw/zinc/94/87/00/1041948700.db2.gz HLLDDVJXLDXEPJ-MRXNPFEDSA-N 1 0 358.446 2.559 20 5 FFBDRO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC001310077184 1043632764 /nfs/dbraw/zinc/63/27/64/1043632764.db2.gz KOLHVSPJSCXDBM-TZMCWYRMSA-N 1 0 370.862 2.950 20 5 FFBDRO O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC001310265024 1043659472 /nfs/dbraw/zinc/65/94/72/1043659472.db2.gz ZXARSYAFBUZUIB-GXTWGEPZSA-N 1 0 370.862 2.950 20 5 FFBDRO COCC[N@@H+]1CC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])c3ccccc23)C1 ZINC001311330583 1043890693 /nfs/dbraw/zinc/89/06/93/1043890693.db2.gz FUOAGXXNPHMHRJ-CYBMUJFWSA-N 1 0 358.398 2.590 20 5 FFBDRO CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CC[N@H+](CC)C1 ZINC001313888348 1044437662 /nfs/dbraw/zinc/43/76/62/1044437662.db2.gz HCBSZLBBZSMDTM-CQSZACIVSA-N 1 0 358.446 2.651 20 5 FFBDRO Cc1cc(N2CCC[C@@H](C(=O)NC3CC3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC001320283095 1045382880 /nfs/dbraw/zinc/38/28/80/1045382880.db2.gz SCMRGDUIRVLRLR-CYBMUJFWSA-N 1 0 354.410 2.946 20 5 FFBDRO COc1ccc(C[C@@H](C)[N@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC001320888733 1045488960 /nfs/dbraw/zinc/48/89/60/1045488960.db2.gz KONJCEUDEWETMK-WBVHZDCISA-N 1 0 374.437 2.906 20 5 FFBDRO COc1ccc(C[C@@H](C)[N@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC001320888731 1045489032 /nfs/dbraw/zinc/48/90/32/1045489032.db2.gz KONJCEUDEWETMK-NVXWUHKLSA-N 1 0 374.437 2.906 20 5 FFBDRO O=C(NCC[N@H+](Cc1ccccc1)C1CCCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001323708289 1045691334 /nfs/dbraw/zinc/69/13/34/1045691334.db2.gz FJSTXBGRXOGCGZ-RTBURBONSA-N 1 0 359.470 2.993 20 5 FFBDRO Cc1c(C(=O)OCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ccc2c[nH+]cn21 ZINC001321910814 1045869444 /nfs/dbraw/zinc/86/94/44/1045869444.db2.gz CBXCKRLVYRQPNA-UHFFFAOYSA-N 1 0 356.294 2.816 20 5 FFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N(CC[NH2+]CC1CC2(CCC2)C1)Cc1ccccc1 ZINC001325689621 1046611408 /nfs/dbraw/zinc/61/14/08/1046611408.db2.gz LZGPNYMTTWDBNW-RTBURBONSA-N 1 0 371.481 2.850 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1COC(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC001287974679 1047383320 /nfs/dbraw/zinc/38/33/20/1047383320.db2.gz NWRQISAURKIJKI-UHFFFAOYSA-N 1 0 373.409 2.904 20 5 FFBDRO C[NH2+][C@@H](C)CCNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC001331433829 1047931863 /nfs/dbraw/zinc/93/18/63/1047931863.db2.gz VQVFTLHOMGRCHK-QMMMGPOBSA-N 1 0 359.224 2.785 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC001333021353 1048675928 /nfs/dbraw/zinc/67/59/28/1048675928.db2.gz FDZLPAAQYJYONW-CQSZACIVSA-N 1 0 354.414 2.856 20 5 FFBDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Cc2cccc(F)c2[N+](=O)[O-])C1 ZINC001292072410 1049101083 /nfs/dbraw/zinc/10/10/83/1049101083.db2.gz RGTMZRXYEHAKMQ-ZDUSSCGKSA-N 1 0 351.422 2.903 20 5 FFBDRO O=[N+]([O-])c1c(N2CC[NH+](C[C@H]3CCOC3)CC2)cccc1C(F)(F)F ZINC001333911578 1049166255 /nfs/dbraw/zinc/16/62/55/1049166255.db2.gz HAGMFOCFRBLMAV-GFCCVEGCSA-N 1 0 359.348 2.772 20 5 FFBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC001330591493 1049220306 /nfs/dbraw/zinc/22/03/06/1049220306.db2.gz IWQKRSXWXSJLFG-KRWDZBQOSA-N 1 0 356.382 2.550 20 5 FFBDRO CCCC[N@H+](C)CCn1c(C)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001294214669 1049710118 /nfs/dbraw/zinc/71/01/18/1049710118.db2.gz KUVLYVWCHRUHTA-UHFFFAOYSA-N 1 0 372.473 2.789 20 5 FFBDRO COc1ccc(CNC(=O)c2ccc([C@H]3CCCC[NH2+]3)n2C)cc1[N+](=O)[O-] ZINC001339997682 1050409375 /nfs/dbraw/zinc/40/93/75/1050409375.db2.gz ZIZIOQQMMJKNQZ-CQSZACIVSA-N 1 0 372.425 2.687 20 5 FFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCCC[C@@]12CCC[NH2+]C2 ZINC001342237370 1050827931 /nfs/dbraw/zinc/82/79/31/1050827931.db2.gz JIULDHJXDDBGEZ-KRWDZBQOSA-N 1 0 351.834 2.925 20 5 FFBDRO O=C(CCc1cc(F)ccc1[N+](=O)[O-])Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC001340629661 1051007643 /nfs/dbraw/zinc/00/76/43/1051007643.db2.gz GSPUEPWKDZWPFR-GOSISDBHSA-N 1 0 373.384 2.966 20 5 FFBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC001341066333 1051408052 /nfs/dbraw/zinc/40/80/52/1051408052.db2.gz GJCRIWPJKYABET-NVXWUHKLSA-N 1 0 367.833 2.666 20 5 FFBDRO COc1ccc(C(=O)N2C[C@@H](CC[NH3+])Cc3ccccc32)cc1[N+](=O)[O-] ZINC001342878779 1051488075 /nfs/dbraw/zinc/48/80/75/1051488075.db2.gz XPIFYKXFZBMSLY-ZDUSSCGKSA-N 1 0 355.394 2.771 20 5 FFBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001341339891 1051696823 /nfs/dbraw/zinc/69/68/23/1051696823.db2.gz SUUBXASLJKARNZ-MRXNPFEDSA-N 1 0 355.797 2.674 20 5 FFBDRO Cc1nnc(N(C)CCc2ccccc2[N+](=O)[O-])n1C[C@@H](C1CC1)[NH+](C)C ZINC001304796262 1051701479 /nfs/dbraw/zinc/70/14/79/1051701479.db2.gz AMGRXAWPJBNJFG-SFHVURJKSA-N 1 0 372.473 2.514 20 5 FFBDRO Cc1cc(N2CCC[C@](O)(C[NH+](C)C)C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC001307152902 1052258882 /nfs/dbraw/zinc/25/88/82/1052258882.db2.gz ISEQXHGJIPJJGD-HNNXBMFYSA-N 1 0 361.364 2.815 20 5 FFBDRO C[NH+](C)C[C@H]1COC2(CCCC2)CN1CCOc1ccc([N+](=O)[O-])cc1 ZINC001307938029 1052369783 /nfs/dbraw/zinc/36/97/83/1052369783.db2.gz HECZXVDSBMAXPX-KRWDZBQOSA-N 1 0 363.458 2.549 20 5 FFBDRO COC(=O)C[C@@](C)([NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C)C1CC1 ZINC001308017469 1052384238 /nfs/dbraw/zinc/38/42/38/1052384238.db2.gz TVMFIKPVOPASEB-GOSISDBHSA-N 1 0 363.414 2.553 20 5 FFBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCOc3ccccc3[C@@H]2CO)cc1 ZINC001308105253 1052407226 /nfs/dbraw/zinc/40/72/26/1052407226.db2.gz JDXVTFZTUKAAPV-SFHVURJKSA-N 1 0 358.394 2.792 20 5 FFBDRO NC(=O)C[C@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C1CCOCC1 ZINC001308357918 1052449975 /nfs/dbraw/zinc/44/99/75/1052449975.db2.gz NTYBNKSKYGVPQN-KRWDZBQOSA-N 1 0 373.409 2.615 20 5 FFBDRO Cc1cccc(C[C@@H](C)[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC001308671701 1052484363 /nfs/dbraw/zinc/48/43/63/1052484363.db2.gz YFHLLEUOCQQHMN-OAHLLOKOSA-N 1 0 362.451 2.898 20 5 FFBDRO Cc1cc(S(=O)(=O)NCCC[N@H+]2CCCC[C@H]2C)c([N+](=O)[O-])s1 ZINC001309015618 1052539217 /nfs/dbraw/zinc/53/92/17/1052539217.db2.gz CYGKFYPXRRDKIV-LLVKDONJSA-N 1 0 361.489 2.508 20 5 FFBDRO [NH3+][C@@H]1CN(C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C(F)(F)F ZINC001344721077 1052903095 /nfs/dbraw/zinc/90/30/95/1052903095.db2.gz VSWNESGEIGLDIA-ZYHUDNBSSA-N 1 0 365.739 2.529 20 5 FFBDRO CC(C)CN(CC[NH+](C)C)C(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001543089803 1071377214 /nfs/dbraw/zinc/37/72/14/1071377214.db2.gz RCVANCCRDPHADQ-UHFFFAOYSA-N 1 0 358.442 2.990 20 5 FFBDRO CC[C@](O)(CCC(F)(F)F)C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001336061234 1053740105 /nfs/dbraw/zinc/74/01/05/1053740105.db2.gz QGKWPQXJSWXTFE-KGLIPLIRSA-N 1 0 350.337 2.701 20 5 FFBDRO Cn1ccnc1C[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC001336704072 1054151394 /nfs/dbraw/zinc/15/13/94/1054151394.db2.gz NTLLCVDYTYMQRJ-RBUKOAKNSA-N 1 0 366.421 2.935 20 5 FFBDRO C[C@H](CNC(=O)N1CCC2(CC[NH2+]CC2)CC1)c1ccccc1[N+](=O)[O-] ZINC001337030139 1054424542 /nfs/dbraw/zinc/42/45/42/1054424542.db2.gz ONNTXODMAVGSMG-OAHLLOKOSA-N 1 0 360.458 2.874 20 5 FFBDRO CCCN(CCC[NH+](C)C)C(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 ZINC001337893043 1055087056 /nfs/dbraw/zinc/08/70/56/1055087056.db2.gz MXCRKATYSUPNGE-UHFFFAOYSA-N 1 0 373.457 2.644 20 5 FFBDRO Cc1cc([C@H]([NH3+])CC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)cc(Cl)n1 ZINC001349109871 1055099933 /nfs/dbraw/zinc/09/99/33/1055099933.db2.gz BTGSNAAPUKTYKS-OAHLLOKOSA-N 1 0 360.801 2.884 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C(c2cccs2)c2cccs2)c1 ZINC001356535654 1055562393 /nfs/dbraw/zinc/56/23/93/1055562393.db2.gz VAZQFVMUNKNOQV-LBPRGKRZSA-N 1 0 364.452 2.654 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@@H]2C1 ZINC001352760270 1055773086 /nfs/dbraw/zinc/77/30/86/1055773086.db2.gz ITAXHVFFOGTQJS-MJBXVCDLSA-N 1 0 362.430 2.797 20 5 FFBDRO Cc1c(-c2nnc(N3CCC[C@H]([NH+]4CCCC4)C3)n2C)cccc1[N+](=O)[O-] ZINC001350549445 1055828770 /nfs/dbraw/zinc/82/87/70/1055828770.db2.gz LYYZGZIGSHRPFY-HNNXBMFYSA-N 1 0 370.457 2.763 20 5 FFBDRO CC1(C)[C@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)[C@@H]2CCC[NH2+][C@H]21 ZINC001353092859 1056069097 /nfs/dbraw/zinc/06/90/97/1056069097.db2.gz KSWIYSVTVJZAPW-ZTFGCOKTSA-N 1 0 372.469 2.701 20 5 FFBDRO CC(C)(C[NH3+])C1CCN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC001358374750 1056278891 /nfs/dbraw/zinc/27/88/91/1056278891.db2.gz MDSIALCITJAFFV-UHFFFAOYSA-N 1 0 351.422 2.890 20 5 FFBDRO CCn1c(-c2cccc([N+](=O)[O-])c2C)nnc1N1CCC[N@H+](CC)CC1 ZINC001339356123 1056364229 /nfs/dbraw/zinc/36/42/29/1056364229.db2.gz CFSSYKUMICGJLK-UHFFFAOYSA-N 1 0 358.446 2.714 20 5 FFBDRO CCN(c1nnc(C[N+](=O)[O-])n1CC)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001339454014 1056468896 /nfs/dbraw/zinc/46/88/96/1056468896.db2.gz FYQHAQQLYLLUFW-DOTOQJQBSA-N 1 0 372.473 2.737 20 5 FFBDRO C[C@@H](c1nnc(N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)n1C)[N+](=O)[O-] ZINC001339541936 1056564849 /nfs/dbraw/zinc/56/48/49/1056564849.db2.gz NGULZRXXTDXTFV-CABCVRRESA-N 1 0 364.494 2.634 20 5 FFBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1cccc3c1OCC[NH2+]C3)CC2 ZINC001353845814 1058285083 /nfs/dbraw/zinc/28/50/83/1058285083.db2.gz VNISVIIWUGKASF-UHFFFAOYSA-N 1 0 353.378 2.588 20 5 FFBDRO CCCCSCC(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001518546415 1058417427 /nfs/dbraw/zinc/41/74/27/1058417427.db2.gz AYXUWDQCWQDVQF-UHFFFAOYSA-N 1 0 366.487 2.818 20 5 FFBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)CSC(C)(C)C)c2)CC1 ZINC001518550503 1058418906 /nfs/dbraw/zinc/41/89/06/1058418906.db2.gz QZRMKPUDDYEUNY-UHFFFAOYSA-N 1 0 366.487 2.817 20 5 FFBDRO CCc1nnc(N(C)Cc2ccccc2[N+](=O)[O-])n1CC[N@@H+](CC)C1CC1 ZINC001513796485 1058566831 /nfs/dbraw/zinc/56/68/31/1058566831.db2.gz XIPOTVIAAVCAAB-UHFFFAOYSA-N 1 0 372.473 2.869 20 5 FFBDRO Cc1cccc(C[N@@H+]2CC[C@@H](NC(=O)Cc3cccc(F)c3[N+](=O)[O-])C2)c1 ZINC001454307537 1059494116 /nfs/dbraw/zinc/49/41/16/1059494116.db2.gz CJVDAZOVADWSRN-QGZVFWFLSA-N 1 0 371.412 2.976 20 5 FFBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)C[C@@H]1C ZINC001520580856 1059829742 /nfs/dbraw/zinc/82/97/42/1059829742.db2.gz QZNSHTIHZBWFSC-QWHCGFSZSA-N 1 0 356.426 2.885 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)c3cc(F)c([N+](=O)[O-])cc3F)C[C@H]2C1 ZINC001355057714 1059839445 /nfs/dbraw/zinc/83/94/45/1059839445.db2.gz HTOSUJJYDPTCIV-IJLUTSLNSA-N 1 0 353.369 2.675 20 5 FFBDRO CCn1c(-c2ccc([N+](=O)[O-])s2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001520751016 1060034008 /nfs/dbraw/zinc/03/40/08/1060034008.db2.gz XCHHQOXICSGGKI-UHFFFAOYSA-N 1 0 364.475 2.855 20 5 FFBDRO COCC[N@H+](CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O)C1CCCC1 ZINC000848477177 1060099369 /nfs/dbraw/zinc/09/93/69/1060099369.db2.gz MYTYSWNWQYDYRA-GOSISDBHSA-N 1 0 361.442 2.759 20 5 FFBDRO C[N@@H+]1CCC[C@@H]2CN(Cn3cc(-c4ccccc4[N+](=O)[O-])cn3)CC[C@H]21 ZINC000848483114 1060121035 /nfs/dbraw/zinc/12/10/35/1060121035.db2.gz YOPUFPMYXUHPKC-CRAIPNDOSA-N 1 0 355.442 2.832 20 5 FFBDRO CC(=O)NCC[C@H]1CCC[N@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C1 ZINC000848486344 1060128882 /nfs/dbraw/zinc/12/88/82/1060128882.db2.gz GNTMVKVQEKEXAO-MRXNPFEDSA-N 1 0 371.441 2.654 20 5 FFBDRO CCNC(=O)C[C@@H]1CCCC[N@@H+]1Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000848487400 1060132931 /nfs/dbraw/zinc/13/29/31/1060132931.db2.gz RSMIVIFOQREFSK-INIZCTEOSA-N 1 0 371.441 2.797 20 5 FFBDRO CCC(C)(C)[NH+]1CCN(Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000848495429 1060157174 /nfs/dbraw/zinc/15/71/74/1060157174.db2.gz HHESBZYANKFOLJ-UHFFFAOYSA-N 1 0 358.446 2.617 20 5 FFBDRO COc1cc(OC)cc([C@@H](O)C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000848529090 1060224041 /nfs/dbraw/zinc/22/40/41/1060224041.db2.gz RLUUIEYVIZPOHP-HKUYNNGSSA-N 1 0 358.394 2.923 20 5 FFBDRO O=[N+]([O-])c1ccc2ncc([N+](=O)[O-])c(N3CC[C@H]([NH+]4CCCC4)C3)c2c1 ZINC001458158395 1060526494 /nfs/dbraw/zinc/52/64/94/1060526494.db2.gz QWWAWOPVMWLSDN-ZDUSSCGKSA-N 1 0 357.370 2.726 20 5 FFBDRO O=[N+]([O-])c1ccc2ncc([N+](=O)[O-])c(N3CCC([NH2+]C4CC4)CC3)c2c1 ZINC001458240518 1060546921 /nfs/dbraw/zinc/54/69/21/1060546921.db2.gz AUDQIBSAUFPCQD-UHFFFAOYSA-N 1 0 357.370 2.772 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CC([NH2+]C3CCOCC3)C2)nc1-c1ccccc1 ZINC001458592160 1060629525 /nfs/dbraw/zinc/62/95/25/1060629525.db2.gz HNRWILMRRSVUAK-UHFFFAOYSA-N 1 0 354.410 2.614 20 5 FFBDRO CC[N@@H+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2[C@@H]2C[C@H]2C)C[C@H]1C ZINC001547710938 1071990514 /nfs/dbraw/zinc/99/05/14/1071990514.db2.gz QINNQVQIPAHICD-CKEIUWERSA-N 1 0 370.457 2.965 20 5 FFBDRO O=[N+]([O-])c1cccc2ncnc(N3CC[NH2+][C@H](Cc4ccc(F)cc4)C3)c21 ZINC001458726228 1060654220 /nfs/dbraw/zinc/65/42/20/1060654220.db2.gz PPBCYJSJAOUXBR-OAHLLOKOSA-N 1 0 367.384 2.698 20 5 FFBDRO O=C(CC[NH+]1CCC(c2ncco2)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC001460602088 1061028724 /nfs/dbraw/zinc/02/87/24/1061028724.db2.gz FELRFAMVFIZVHY-UHFFFAOYSA-N 1 0 362.361 2.930 20 5 FFBDRO Cc1ccc(S(=O)(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)c(C)c1[N+](=O)[O-] ZINC001475269527 1061028684 /nfs/dbraw/zinc/02/86/84/1061028684.db2.gz KHFXWKQTNDYOED-HNNXBMFYSA-N 1 0 369.487 2.610 20 5 FFBDRO NC(=O)c1ccc(C[NH2+][C@@H](Cc2cccnc2)C2CCCC2)c([N+](=O)[O-])c1 ZINC001460674096 1061056306 /nfs/dbraw/zinc/05/63/06/1061056306.db2.gz SOOPDPIYONXBCC-SFHVURJKSA-N 1 0 368.437 2.980 20 5 FFBDRO C[C@@H]([NH2+]CCCON1C(=O)c2ccccc2C1=O)c1ccc([N+](=O)[O-])cc1 ZINC001460761914 1061092828 /nfs/dbraw/zinc/09/28/28/1061092828.db2.gz LPMRLQIDIWVIMH-CYBMUJFWSA-N 1 0 369.377 2.863 20 5 FFBDRO C[C@@H]1C[N@@H+](CCCCNc2ncnc3cccc([N+](=O)[O-])c32)C[C@H](C)O1 ZINC000544394228 1061126423 /nfs/dbraw/zinc/12/64/23/1061126423.db2.gz PKCNOEMMXMFUDX-OKILXGFUSA-N 1 0 359.430 2.839 20 5 FFBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)N[C@H]3CCC[C@@H]4C[C@@H]43)c2)CC1 ZINC001477130678 1061593555 /nfs/dbraw/zinc/59/35/55/1061593555.db2.gz SOOMYMRHRVKXRW-KBMXLJTQSA-N 1 0 373.457 2.657 20 5 FFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC001528151331 1061776225 /nfs/dbraw/zinc/77/62/25/1061776225.db2.gz AQFKBSTXNSIMIA-RYQLBKOJSA-N 1 0 360.458 2.855 20 5 FFBDRO C[C@@H](N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccccc1[N+](=O)[O-] ZINC000774596805 1062076375 /nfs/dbraw/zinc/07/63/75/1062076375.db2.gz LNUYQQDDYIUSCK-WBMJQRKESA-N 1 0 370.365 2.959 20 5 FFBDRO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001435044002 1062381196 /nfs/dbraw/zinc/38/11/96/1062381196.db2.gz JPDGVUPMLGYANQ-JKSUJKDBSA-N 1 0 356.426 2.933 20 5 FFBDRO CCNc1ccc(C(=O)N2CCN(c3cc[nH+]cc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC001439382032 1063146257 /nfs/dbraw/zinc/14/62/57/1063146257.db2.gz LQHMNPHYEOMXNQ-AWEZNQCLSA-N 1 0 369.425 2.773 20 5 FFBDRO C[C@@H]1CCC[N@@H+]1CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)C1CC1 ZINC001493841277 1063235907 /nfs/dbraw/zinc/23/59/07/1063235907.db2.gz FPXFGMDWVCQWBA-CQSZACIVSA-N 1 0 370.457 2.936 20 5 FFBDRO C[N@@H+]1CCCC[C@@H](CNC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)C1 ZINC001467081788 1063632105 /nfs/dbraw/zinc/63/21/05/1063632105.db2.gz MOMABAATODYELX-JTQLQIEISA-N 1 0 355.826 2.684 20 5 FFBDRO O=C(NC/C=C\C[NH2+]Cc1c(Cl)oc2ccccc21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001497582501 1063729769 /nfs/dbraw/zinc/72/97/69/1063729769.db2.gz DVYRFOAMJSCBIG-VPOWOMEUSA-N 1 0 363.801 2.513 20 5 FFBDRO CC(C)[C@@H]1CCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCC[NH3+] ZINC001575502795 1078146310 /nfs/dbraw/zinc/14/63/10/1078146310.db2.gz VIUSKKHMFKJXCR-INIZCTEOSA-N 1 0 358.446 2.827 20 5 FFBDRO C[N@@H+]1CC[C@H](C(=O)NCCNc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1 ZINC001472487750 1065079144 /nfs/dbraw/zinc/07/91/44/1065079144.db2.gz VONZTEWYMBKTGI-OALUTQOASA-N 1 0 368.437 2.816 20 5 FFBDRO NC(=O)[C@@H]1CCC[N@H+](CCCNc2cccc(C(F)(F)F)c2[N+](=O)[O-])C1 ZINC001472677747 1065125653 /nfs/dbraw/zinc/12/56/53/1065125653.db2.gz FXSPHZBMSAZNNX-LLVKDONJSA-N 1 0 374.363 2.613 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(C[NH2+][C@@H]2CCC[C@H]2CCO)o1 ZINC001473384550 1065251137 /nfs/dbraw/zinc/25/11/37/1065251137.db2.gz KXTRGCCMRNASES-GXFFZTMASA-N 1 0 366.805 2.939 20 5 FFBDRO CCOC(=O)C[C@](C)([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C(C)C ZINC001473411125 1065259405 /nfs/dbraw/zinc/25/94/05/1065259405.db2.gz RIPDAZGYTAFVBI-SFHVURJKSA-N 1 0 365.430 2.881 20 5 FFBDRO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1CCOc1ccccc1[N+](=O)[O-] ZINC001473651130 1065308794 /nfs/dbraw/zinc/30/87/94/1065308794.db2.gz KSQYPQKXMAIAGW-MRXNPFEDSA-N 1 0 363.458 2.549 20 5 FFBDRO CC[N@H+](C)[C@@H]1CCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC001473906610 1065417061 /nfs/dbraw/zinc/41/70/61/1065417061.db2.gz LAYXJLUCAFIPEO-WCQYABFASA-N 1 0 354.838 2.601 20 5 FFBDRO COc1ccc2c(c1)C[C@H]([NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1)CC2 ZINC001474235112 1065473898 /nfs/dbraw/zinc/47/38/98/1065473898.db2.gz LXSDFDLWFOTNHP-XLIONFOSSA-N 1 0 356.422 2.958 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001475069534 1065693168 /nfs/dbraw/zinc/69/31/68/1065693168.db2.gz UZSCTYDXKLLIME-UMVBOHGHSA-N 1 0 369.487 2.548 20 5 FFBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC001577096342 1078303284 /nfs/dbraw/zinc/30/32/84/1078303284.db2.gz KSJSUIWQDYLETC-IACUBPJLSA-N 1 0 359.348 2.512 20 5 FFBDRO C[NH2+][C@H](CNc1cc(C)c([N+](=O)[O-])cc1C(=O)OC)Cc1ccccc1 ZINC001578591109 1078495996 /nfs/dbraw/zinc/49/59/96/1078495996.db2.gz DNAHJOCJBNXMEH-HNNXBMFYSA-N 1 0 357.410 2.932 20 5 FFBDRO C[NH2+][C@@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC001578590023 1078496112 /nfs/dbraw/zinc/49/61/12/1078496112.db2.gz LZBQRZOJHYASHB-QGZVFWFLSA-N 1 0 355.438 2.819 20 5 FFBDRO Cc1cccc2c1C[NH2+]CCN2[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001579779878 1078681681 /nfs/dbraw/zinc/68/16/81/1078681681.db2.gz WHFPXRKUPAGYED-AWEZNQCLSA-N 1 0 354.410 2.840 20 5 FFBDRO Cc1nnc(N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)n1C[C@@H]1CCC[NH2+]C1 ZINC001579902344 1078710933 /nfs/dbraw/zinc/71/09/33/1078710933.db2.gz GSBLELHTDPYJCI-MRXNPFEDSA-N 1 0 370.457 2.663 20 5 FFBDRO [NH3+]C[C@@H](C(=O)Nc1nccc2c1cccc2[N+](=O)[O-])c1ccc(F)cc1 ZINC001580215427 1078766978 /nfs/dbraw/zinc/76/69/78/1078766978.db2.gz JPDPFAZENHDRLC-OAHLLOKOSA-N 1 0 354.341 2.963 20 5 FFBDRO O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC001580569968 1078828429 /nfs/dbraw/zinc/82/84/29/1078828429.db2.gz JFUKCBXPCGHMAD-INIZCTEOSA-N 1 0 359.813 2.794 20 5 FFBDRO O=C(NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)[C@H]1C[NH2+]CCC12CCC2 ZINC001580707969 1078849530 /nfs/dbraw/zinc/84/95/30/1078849530.db2.gz HLEOTOOUCCHNDP-LLVKDONJSA-N 1 0 355.797 2.783 20 5 FFBDRO CC(C)C[NH+]1CCC(C(=O)NCc2cc([N+](=O)[O-])c(F)cc2F)CC1 ZINC001557208425 1075822079 /nfs/dbraw/zinc/82/20/79/1075822079.db2.gz QBKNDDVAIIGTAB-UHFFFAOYSA-N 1 0 355.385 2.857 20 5 FFBDRO O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC001557849938 1075899457 /nfs/dbraw/zinc/89/94/57/1075899457.db2.gz QCURCRQLKLWAKJ-AWEZNQCLSA-N 1 0 351.834 2.924 20 5 FFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001557871819 1075904188 /nfs/dbraw/zinc/90/41/88/1075904188.db2.gz VGWSLHFPDUTJLG-MRXNPFEDSA-N 1 0 369.421 2.650 20 5 FFBDRO C[C@H]1CN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC[N@@H+]1C1CCCC1 ZINC001558321149 1075980995 /nfs/dbraw/zinc/98/09/95/1075980995.db2.gz JYOJFWGZICEZFL-LBPRGKRZSA-N 1 0 357.414 2.560 20 5 FFBDRO O=C(NCCNc1cc[nH+]cc1)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC001558916699 1076101729 /nfs/dbraw/zinc/10/17/29/1076101729.db2.gz WXVSLPRXLKYTHN-UHFFFAOYSA-N 1 0 373.171 2.700 20 5 FFBDRO CN(CC1([NH+](C)C)CCC1)c1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-] ZINC001559168887 1076131799 /nfs/dbraw/zinc/13/17/99/1076131799.db2.gz BTANQEQZJFWODE-UHFFFAOYSA-N 1 0 359.386 2.972 20 5 FFBDRO O=[N+]([O-])c1cnc(NC[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)c(Cl)c1 ZINC001559279824 1076144725 /nfs/dbraw/zinc/14/47/25/1076144725.db2.gz FZZHPWXHABBVMB-WFASDCNBSA-N 1 0 354.838 2.946 20 5 FFBDRO C[C@@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1cc2cnccc2o1 ZINC001560094121 1076225536 /nfs/dbraw/zinc/22/55/36/1076225536.db2.gz MWAFKMWIDFOENF-GFCCVEGCSA-N 1 0 366.377 2.976 20 5 FFBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2CCOC23CCCC3)c([N+](=O)[O-])c1 ZINC001560208466 1076247349 /nfs/dbraw/zinc/24/73/49/1076247349.db2.gz GLKHAVZSROEXJO-BLLLJJGKSA-N 1 0 363.414 2.622 20 5 FFBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH2+]C1([C@H]2CCCO2)CCC1 ZINC001560227556 1076251210 /nfs/dbraw/zinc/25/12/10/1076251210.db2.gz QMRJGGNGNJVOBL-MRXNPFEDSA-N 1 0 361.398 2.584 20 5 FFBDRO COc1cccc(OCCC[NH2+]Cc2cc(OC)c(O)cc2[N+](=O)[O-])c1 ZINC001560343426 1076265684 /nfs/dbraw/zinc/26/56/84/1076265684.db2.gz GIGYIMPGKIXSHX-UHFFFAOYSA-N 1 0 362.382 2.876 20 5 FFBDRO O=[N+]([O-])c1cccc(Br)c1C[NH2+]C[C@H](CO)Cc1ccoc1 ZINC001560571728 1076280890 /nfs/dbraw/zinc/28/08/90/1076280890.db2.gz FWNTXBUYMKYGAR-GFCCVEGCSA-N 1 0 369.215 2.891 20 5 FFBDRO CC(=Cc1cccc([N+](=O)[O-])c1)C[NH2+]Cc1nc(-c2ccccn2)n[nH]1 ZINC001560833255 1076303517 /nfs/dbraw/zinc/30/35/17/1076303517.db2.gz DIKLXWCRFYJJRO-LCYFTJDESA-N 1 0 350.382 2.968 20 5 FFBDRO COc1ccc(NC(=O)N2CCC(C)(C)[NH2+]C(C)(C)C2)c([N+](=O)[O-])c1 ZINC001563097083 1076517792 /nfs/dbraw/zinc/51/77/92/1076517792.db2.gz AIXCKKCVZMJXEX-UHFFFAOYSA-N 1 0 350.419 2.988 20 5 FFBDRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC001564489417 1076637294 /nfs/dbraw/zinc/63/72/94/1076637294.db2.gz GOQACEMMBBKCON-KRWDZBQOSA-N 1 0 362.474 2.947 20 5 FFBDRO CC1(C)CCC(C[N@H+](CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C2CC2)CC1 ZINC001566587698 1076969370 /nfs/dbraw/zinc/96/93/70/1076969370.db2.gz PCUUJTAMRMMITM-IAGOWNOFSA-N 1 0 351.491 2.839 20 5 FFBDRO CCCc1[nH]nc(C(=O)Nc2ccc(C[NH+](C)C)cc2OC)c1[N+](=O)[O-] ZINC001570178178 1077187540 /nfs/dbraw/zinc/18/75/40/1077187540.db2.gz AWVBOMFHKHIKGO-UHFFFAOYSA-N 1 0 361.402 2.593 20 5 FFBDRO C[NH+]1C[C@]2(C)CN(C(=O)Cc3ccc(Cl)c([N+](=O)[O-])c3)C[C@@]2(C)C1 ZINC001586218493 1079576298 /nfs/dbraw/zinc/57/62/98/1079576298.db2.gz FNFFTRVICSESOE-IAGOWNOFSA-N 1 0 351.834 2.591 20 5 FFBDRO O=C(NC12CC[NH+](CC1)C2)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC001587192702 1079753117 /nfs/dbraw/zinc/75/31/17/1079753117.db2.gz VDSZXFZWLMYJOB-UHFFFAOYSA-N 1 0 353.378 2.965 20 5 FFBDRO C[C@@H](CNc1cc(-c2nn[nH]n2)ccc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC001589876319 1080824825 /nfs/dbraw/zinc/82/48/25/1080824825.db2.gz UUDLZRNMCHPRFI-ZDUSSCGKSA-N 1 0 367.413 2.707 20 5 FFBDRO C[C@H]1C[C@H](C)C[NH+](CCCNc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC001590187836 1081077386 /nfs/dbraw/zinc/07/73/86/1081077386.db2.gz NXFKVPCKFCDPGJ-STQMWFEESA-N 1 0 359.434 2.555 20 5 FFBDRO C[C@@H]1CCC[C@](CNc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])([NH+](C)C)C1 ZINC001590241022 1081115690 /nfs/dbraw/zinc/11/56/90/1081115690.db2.gz FZLDSDDZHQFOTF-PXAZEXFGSA-N 1 0 359.434 2.697 20 5 FFBDRO CC(C)[C@@H](CNc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC001590269646 1081133481 /nfs/dbraw/zinc/13/34/81/1081133481.db2.gz RMEHLAJNJCPHKJ-MRXNPFEDSA-N 1 0 373.461 2.943 20 5 FFBDRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000093191406 250020898 /nfs/dbraw/zinc/02/08/98/250020898.db2.gz RRORKLFJCVXJPJ-UHFFFAOYSA-N 1 0 358.373 2.775 20 5 FFBDRO CC[N@H+](C)C[C@@H]1CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000093769973 250046211 /nfs/dbraw/zinc/04/62/11/250046211.db2.gz YVAVLNHUOHCSAY-HNNXBMFYSA-N 1 0 357.458 2.769 20 5 FFBDRO Cn1cc(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093614658 250039551 /nfs/dbraw/zinc/03/95/51/250039551.db2.gz OKYOGAMDWGOEFF-AEFFLSMTSA-N 1 0 355.442 2.664 20 5 FFBDRO CCCC(=O)NC[C@H]1CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000101911970 250092650 /nfs/dbraw/zinc/09/26/50/250092650.db2.gz UMOPWLZBHRXYIO-MRXNPFEDSA-N 1 0 363.458 2.992 20 5 FFBDRO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000152952792 251085266 /nfs/dbraw/zinc/08/52/66/251085266.db2.gz PNKQJXYDRAMVGN-CYBMUJFWSA-N 1 0 354.410 2.890 20 5 FFBDRO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000153270215 251119891 /nfs/dbraw/zinc/11/98/91/251119891.db2.gz VEYIHSIALQBVGZ-CQSZACIVSA-N 1 0 369.425 2.527 20 5 FFBDRO COc1cc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)ccc1[N+](=O)[O-] ZINC000153326478 251124970 /nfs/dbraw/zinc/12/49/70/251124970.db2.gz UGCUCPJIVDHMLR-GOEBONIOSA-N 1 0 359.426 2.692 20 5 FFBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000181185808 251255348 /nfs/dbraw/zinc/25/53/48/251255348.db2.gz XSYODHLLGOLIPJ-YJBOKZPZSA-N 1 0 357.410 2.514 20 5 FFBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000264603748 251320403 /nfs/dbraw/zinc/32/04/03/251320403.db2.gz YCEGCMSWBYGDFL-KRWDZBQOSA-N 1 0 356.426 2.636 20 5 FFBDRO O=C(CN1CC[C@@H]([NH+]2CCCCC2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000264629098 251329122 /nfs/dbraw/zinc/32/91/22/251329122.db2.gz TVPDWKABYCLIPV-CQSZACIVSA-N 1 0 366.849 2.747 20 5 FFBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000270997744 251681325 /nfs/dbraw/zinc/68/13/25/251681325.db2.gz LEVZPPALNTXCMB-CYBMUJFWSA-N 1 0 360.458 2.971 20 5 FFBDRO CC(C)[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000272320107 252009286 /nfs/dbraw/zinc/00/92/86/252009286.db2.gz LPBJCKOYIDUSOZ-UHFFFAOYSA-N 1 0 357.357 2.753 20 5 FFBDRO CCC[C@](C)(O)C[NH2+]Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000272393657 252027632 /nfs/dbraw/zinc/02/76/32/252027632.db2.gz JGSPILNHPUFYKJ-INIZCTEOSA-N 1 0 362.373 2.888 20 5 FFBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000272484265 252049757 /nfs/dbraw/zinc/04/97/57/252049757.db2.gz VKYKVTTUPGSIOZ-GFCCVEGCSA-N 1 0 366.849 2.574 20 5 FFBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)[C@@H]2C1 ZINC000272496062 252053387 /nfs/dbraw/zinc/05/33/87/252053387.db2.gz VCVCVOZYXSYEMY-ZWNOBZJWSA-N 1 0 370.356 2.754 20 5 FFBDRO CC[C@H](NCc1ccc([N+](=O)[O-])cc1F)c1cccc(S(N)(=O)=O)c1 ZINC000272891929 252158933 /nfs/dbraw/zinc/15/89/33/252158933.db2.gz XYFZETIBZVAULZ-INIZCTEOSA-N 1 0 367.402 2.622 20 5 FFBDRO Cc1cc(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccc1F ZINC000272939567 252170383 /nfs/dbraw/zinc/17/03/83/252170383.db2.gz MZTMEZLUJFMQJC-UHFFFAOYSA-N 1 0 352.387 2.606 20 5 FFBDRO C[N@H+]1CC=C(CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000273084373 252211426 /nfs/dbraw/zinc/21/14/26/252211426.db2.gz BDNRSMLBCYDFGP-UHFFFAOYSA-N 1 0 355.847 2.718 20 5 FFBDRO COc1ccccc1[C@H]1CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000273397652 252298284 /nfs/dbraw/zinc/29/82/84/252298284.db2.gz VVFOXDGKIUVCOQ-JKSUJKDBSA-N 1 0 372.421 2.833 20 5 FFBDRO COc1ccccc1[C@@H]1CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000273397649 252298475 /nfs/dbraw/zinc/29/84/75/252298475.db2.gz VVFOXDGKIUVCOQ-HZPDHXFCSA-N 1 0 372.421 2.833 20 5 FFBDRO CS[C@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)C[C@H]1[NH+]1CCCC1 ZINC000273458057 252309138 /nfs/dbraw/zinc/30/91/38/252309138.db2.gz DWOGRQIHSINWGD-SJORKVTESA-N 1 0 363.483 2.566 20 5 FFBDRO C[C@H](CCNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)[NH+]1CCCCC1 ZINC000276348941 256091801 /nfs/dbraw/zinc/09/18/01/256091801.db2.gz UCEQAODKPLLEQG-CYBMUJFWSA-N 1 0 355.460 2.675 20 5 FFBDRO CC(C)(C)[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CC1 ZINC000276361577 256092772 /nfs/dbraw/zinc/09/27/72/256092772.db2.gz VXVZNMHCPYSNRY-UHFFFAOYSA-N 1 0 355.460 2.673 20 5 FFBDRO O=C([C@@H]1CCC[N@@H+]1C1CC1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000279204723 256392855 /nfs/dbraw/zinc/39/28/55/256392855.db2.gz ONEKNMLPEMFHMO-SFHVURJKSA-N 1 0 359.426 2.591 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000281682177 256653897 /nfs/dbraw/zinc/65/38/97/256653897.db2.gz USBQMQWRPAMMRB-JKSUJKDBSA-N 1 0 361.442 2.615 20 5 FFBDRO O=C(CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1)Nc1cc([N+](=O)[O-])ccc1F ZINC000284656769 256941705 /nfs/dbraw/zinc/94/17/05/256941705.db2.gz GGFNXNNIDIKCNZ-CVEARBPZSA-N 1 0 351.378 2.706 20 5 FFBDRO CN(C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000286139769 257022105 /nfs/dbraw/zinc/02/21/05/257022105.db2.gz HVEISAHPDZTRCB-MZBDJJRSSA-N 1 0 356.426 2.702 20 5 FFBDRO CNC(=O)CC[C@@H]1CCCC[N@@H+]1Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000286266433 257028509 /nfs/dbraw/zinc/02/85/09/257028509.db2.gz BLIZFBFGHRWWIY-ZDUSSCGKSA-N 1 0 353.394 2.623 20 5 FFBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1c(Br)cncc1[N+](=O)[O-] ZINC000286310957 257030695 /nfs/dbraw/zinc/03/06/95/257030695.db2.gz KCXZMHQNVFDNKH-MNOVXSKESA-N 1 0 355.236 2.815 20 5 FFBDRO [NH3+]CC[C@H]1CCCCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000286315700 257030847 /nfs/dbraw/zinc/03/08/47/257030847.db2.gz YFBZQYZTDIEADH-SNVBAGLBSA-N 1 0 374.210 2.840 20 5 FFBDRO CC1(C)C[C@@H]([NH2+]C[C@H]2CCCS(=O)(=O)C2)c2cc([N+](=O)[O-])ccc21 ZINC000287002899 257066277 /nfs/dbraw/zinc/06/62/77/257066277.db2.gz KECJMKOYYMYIDZ-MLGOLLRUSA-N 1 0 352.456 2.732 20 5 FFBDRO CC1(C)C[C@H]([NH2+]C[C@@H]2CCCS(=O)(=O)C2)c2cc([N+](=O)[O-])ccc21 ZINC000287002898 257066392 /nfs/dbraw/zinc/06/63/92/257066392.db2.gz KECJMKOYYMYIDZ-LRDDRELGSA-N 1 0 352.456 2.732 20 5 FFBDRO COc1ccc([C@@H](CNc2ccc(N)cc2[N+](=O)[O-])[NH+](C)C)cc1OC ZINC000287057062 257069754 /nfs/dbraw/zinc/06/97/54/257069754.db2.gz SGHLXXXYYUJWRG-MRXNPFEDSA-N 1 0 360.414 2.909 20 5 FFBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000288306572 257172675 /nfs/dbraw/zinc/17/26/75/257172675.db2.gz IHLDWEMEEKOWPV-IUODEOHRSA-N 1 0 351.834 2.876 20 5 FFBDRO Cc1cc(OCc2nc([C@H]3CN4CCCC[C@H]4CO3)no2)ccc1[N+](=O)[O-] ZINC000289085775 257255137 /nfs/dbraw/zinc/25/51/37/257255137.db2.gz JYKZWNMZGCODIA-XJKSGUPXSA-N 1 0 374.397 2.791 20 5 FFBDRO O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CC[NH+](C2CCOCC2)CC1 ZINC000289861898 257303546 /nfs/dbraw/zinc/30/35/46/257303546.db2.gz YMVXLCMPWKGXRI-UHFFFAOYSA-N 1 0 368.821 2.577 20 5 FFBDRO Cc1cnn([C@H]2CC[N@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)C2)c1 ZINC000289865335 257303652 /nfs/dbraw/zinc/30/36/52/257303652.db2.gz LLCWKZJGSBHRCI-AWEZNQCLSA-N 1 0 361.377 2.514 20 5 FFBDRO CC[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CCOC(C)(C)C1 ZINC000289891443 257304993 /nfs/dbraw/zinc/30/49/93/257304993.db2.gz RVWXQYINTWCUKC-JKSUJKDBSA-N 1 0 352.431 2.614 20 5 FFBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)C[N@H+](C)C(C)C ZINC000291977296 257445115 /nfs/dbraw/zinc/44/51/15/257445115.db2.gz SREZSLQPKKJFJO-CYBMUJFWSA-N 1 0 369.487 2.792 20 5 FFBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)C1 ZINC000295061712 257614338 /nfs/dbraw/zinc/61/43/38/257614338.db2.gz UCABMNUNCGZJAH-CYBMUJFWSA-N 1 0 366.437 2.604 20 5 FFBDRO Cc1cc(Cl)c(C(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)cc1[N+](=O)[O-] ZINC000295408322 257631363 /nfs/dbraw/zinc/63/13/63/257631363.db2.gz CZNJHDBNQLXRHX-CYBMUJFWSA-N 1 0 369.849 2.523 20 5 FFBDRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000301105314 258025326 /nfs/dbraw/zinc/02/53/26/258025326.db2.gz IRUGEHZHIZZLSG-GJZGRUSLSA-N 1 0 350.438 2.729 20 5 FFBDRO NC(=O)c1cc([N+](=O)[O-])cnc1NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000301121337 258026597 /nfs/dbraw/zinc/02/65/97/258026597.db2.gz WUTCWOYMYFXZFH-OAHLLOKOSA-N 1 0 369.425 2.555 20 5 FFBDRO C[C@@H]1C[N@@H+](CC2CCN(c3ncc([N+](=O)[O-])cc3Cl)CC2)C[C@H](C)O1 ZINC000301274958 258039213 /nfs/dbraw/zinc/03/92/13/258039213.db2.gz LPGKXMGKVITGLZ-BETUJISGSA-N 1 0 368.865 2.969 20 5 FFBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N1CCC([NH+]2CCCCC2)CC1 ZINC000299455064 257995431 /nfs/dbraw/zinc/99/54/31/257995431.db2.gz XSVRFHVUPAIXQT-UHFFFAOYSA-N 1 0 361.442 2.841 20 5 FFBDRO Cc1c(C(=O)NCCC[N@@H+](C)C(C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000299539014 258003813 /nfs/dbraw/zinc/00/38/13/258003813.db2.gz UBMBZMYOYUBZHG-UHFFFAOYSA-N 1 0 352.391 2.580 20 5 FFBDRO COC(=O)c1cnc(N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000302749518 258109628 /nfs/dbraw/zinc/10/96/28/258109628.db2.gz GRQRHRXGLSQSBX-RWMBFGLXSA-N 1 0 350.419 2.555 20 5 FFBDRO COC(=O)c1cnc(N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000302754114 258109648 /nfs/dbraw/zinc/10/96/48/258109648.db2.gz IANAVANBXGVGQX-CZUORRHYSA-N 1 0 370.409 2.709 20 5 FFBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc([N+](=O)[O-])ccc1Br ZINC000317144147 258116030 /nfs/dbraw/zinc/11/60/30/258116030.db2.gz FOMPHKXUCMFDCN-GHMZBOCLSA-N 1 0 368.231 2.714 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000301459967 258050826 /nfs/dbraw/zinc/05/08/26/258050826.db2.gz DFOKRBJHJZENDT-MRXNPFEDSA-N 1 0 355.442 2.921 20 5 FFBDRO Cc1nc(N[C@@H](C)C[NH+]2CCN(c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000301640650 258060301 /nfs/dbraw/zinc/06/03/01/258060301.db2.gz GLZZRHJUTMTXIV-HNNXBMFYSA-N 1 0 355.442 2.921 20 5 FFBDRO Cc1cnc(N[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000301731036 258065479 /nfs/dbraw/zinc/06/54/79/258065479.db2.gz SLCAWAHEQKRRNU-SJORKVTESA-N 1 0 356.426 2.593 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)cnc1NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000301871484 258072165 /nfs/dbraw/zinc/07/21/65/258072165.db2.gz KLDXLFRYXUQKOJ-LSDHHAIUSA-N 1 0 362.817 2.691 20 5 FFBDRO Cc1cc(N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000301978687 258079864 /nfs/dbraw/zinc/07/98/64/258079864.db2.gz ABAQLNOCPRHKKJ-ACJLOTCBSA-N 1 0 356.426 2.608 20 5 FFBDRO CC[N@H+]1C[C@@H](C)N(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C1 ZINC000330858436 258172216 /nfs/dbraw/zinc/17/22/16/258172216.db2.gz TUTXAFPTOUMJMD-TXEJJXNPSA-N 1 0 354.838 2.601 20 5 FFBDRO COc1ccc(CN2C[C@@H]([NH+]3CCCC3)[C@@H](SC)C2)cc1[N+](=O)[O-] ZINC000332073416 258212630 /nfs/dbraw/zinc/21/26/30/258212630.db2.gz DMVTZKCTITVIBN-WBVHZDCISA-N 1 0 351.472 2.615 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000332369380 258227439 /nfs/dbraw/zinc/22/74/39/258227439.db2.gz AGEGFMAUHCMECD-MAUKXSAKSA-N 1 0 361.442 2.570 20 5 FFBDRO C[C@@H]1C[C@H](NC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CC[N@@H+]1C ZINC000331825447 258201776 /nfs/dbraw/zinc/20/17/76/258201776.db2.gz MXYBKXOLVQJHQR-DJIMGWMZSA-N 1 0 360.458 2.967 20 5 FFBDRO C[C@@H]1C[C@@H](NC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CC[N@@H+]1C ZINC000331825451 258201926 /nfs/dbraw/zinc/20/19/26/258201926.db2.gz MXYBKXOLVQJHQR-PVAVHDDUSA-N 1 0 360.458 2.967 20 5 FFBDRO C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000070690642 136138444 /nfs/dbraw/zinc/13/84/44/136138444.db2.gz GMYQJPVRAQZLPB-UHFFFAOYSA-N 1 0 364.789 2.845 20 5 FFBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc([N+](=O)[O-])cc1Br ZINC000377776702 512444998 /nfs/dbraw/zinc/44/49/98/512444998.db2.gz HFWOULXORHIHEJ-MNOVXSKESA-N 1 0 368.231 2.714 20 5 FFBDRO CC(=O)c1ccc([N+](=O)[O-])cc1NCc1cccnc1N1CC[NH+](C)CC1 ZINC000377169739 512150176 /nfs/dbraw/zinc/15/01/76/512150176.db2.gz OALBOSOWMMHYSV-UHFFFAOYSA-N 1 0 369.425 2.556 20 5 FFBDRO C[C@H](CNC(=O)CSc1ccc([N+](=O)[O-])cc1)C[NH+]1CCCCC1 ZINC000065654164 506341688 /nfs/dbraw/zinc/34/16/88/506341688.db2.gz QPWVRLWPVHSUHN-CQSZACIVSA-N 1 0 351.472 2.925 20 5 FFBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000065791750 506367018 /nfs/dbraw/zinc/36/70/18/506367018.db2.gz CAHKXFJFQOFKJT-KBPBESRZSA-N 1 0 369.487 2.698 20 5 FFBDRO C[N@@H+]1CC[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(F)cc1 ZINC000371063015 512199336 /nfs/dbraw/zinc/19/93/36/512199336.db2.gz MQNMTFMQZGDEQC-HKUYNNGSSA-N 1 0 357.385 2.838 20 5 FFBDRO Cn1cc(C(=O)NCC2([NH+](C)C)CCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000053539764 506400664 /nfs/dbraw/zinc/40/06/64/506400664.db2.gz XXRQRAAMARQUEM-UHFFFAOYSA-N 1 0 371.441 2.600 20 5 FFBDRO C[NH+](C)C1(CNC(=O)NCCNc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000054103604 506493398 /nfs/dbraw/zinc/49/33/98/506493398.db2.gz XCWRNBNHUCQVLP-UHFFFAOYSA-N 1 0 363.462 2.570 20 5 FFBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000054539819 506574154 /nfs/dbraw/zinc/57/41/54/506574154.db2.gz UTBYQLATNDMCRH-QGZVFWFLSA-N 1 0 372.425 2.867 20 5 FFBDRO COc1cccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)[NH+](C)C)c1 ZINC000010018087 506723034 /nfs/dbraw/zinc/72/30/34/506723034.db2.gz NYBIDMXNJMOFPE-GOSISDBHSA-N 1 0 357.410 2.945 20 5 FFBDRO C[NH+](C)Cc1ccccc1CNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000011713052 506790611 /nfs/dbraw/zinc/79/06/11/506790611.db2.gz COTJPRIKOOXBTI-UHFFFAOYSA-N 1 0 356.426 2.775 20 5 FFBDRO C[NH+]1CCN(Cc2ccc(NC(=O)c3csc([N+](=O)[O-])c3)cc2)CC1 ZINC000044521453 506854526 /nfs/dbraw/zinc/85/45/26/506854526.db2.gz UIGHLOBJSHSNNT-UHFFFAOYSA-N 1 0 360.439 2.656 20 5 FFBDRO O=C(C[N@@H+]1CCC[C@H]1C1CCCC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000055927793 506889830 /nfs/dbraw/zinc/88/98/30/506889830.db2.gz KCGQRNYQLPNAQZ-AWEZNQCLSA-N 1 0 361.398 2.917 20 5 FFBDRO CC(C)[C@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]1)[N@@H+]1CCc2ccccc2C1 ZINC000045313598 506949306 /nfs/dbraw/zinc/94/93/06/506949306.db2.gz FJCVWORFKYHYDT-SFHVURJKSA-N 1 0 356.426 2.736 20 5 FFBDRO Nc1ccc(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000045716381 507008384 /nfs/dbraw/zinc/00/83/84/507008384.db2.gz CNAMTFTXDSTLFA-OAHLLOKOSA-N 1 0 360.439 2.805 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000045851800 507033350 /nfs/dbraw/zinc/03/33/50/507033350.db2.gz CJGSGPGNGPLEOU-INIZCTEOSA-N 1 0 361.373 2.775 20 5 FFBDRO Cc1sc(C(=O)NCc2cccc(OCC[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000056891150 507117802 /nfs/dbraw/zinc/11/78/02/507117802.db2.gz NVWGLSDOPSONET-UHFFFAOYSA-N 1 0 363.439 2.835 20 5 FFBDRO C[C@H]1CCCN(c2ccc(C(=O)N(C)C3CC[NH+](C)CC3)cc2[N+](=O)[O-])C1 ZINC000068192785 507143779 /nfs/dbraw/zinc/14/37/79/507143779.db2.gz SJVZZHBXUOGATB-HNNXBMFYSA-N 1 0 374.485 2.997 20 5 FFBDRO C[C@@H](CNC(=O)NCc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCc2ccccc2C1 ZINC000057004566 507144878 /nfs/dbraw/zinc/14/48/78/507144878.db2.gz VTJFJOCBAGLVPS-HNNXBMFYSA-N 1 0 368.437 2.841 20 5 FFBDRO O=C(CC[N@@H+]1CC[C@]2(C1)CCCOC2)Nc1cc([N+](=O)[O-])ccc1F ZINC000367073264 512324580 /nfs/dbraw/zinc/32/45/80/512324580.db2.gz JRTWVIGJZLFCLQ-KRWDZBQOSA-N 1 0 351.378 2.565 20 5 FFBDRO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)Cn3cc([N+](=O)[O-])cn3)cc2)C1 ZINC000046934144 507226796 /nfs/dbraw/zinc/22/67/96/507226796.db2.gz SSBQBRYAJAYZAB-AWEZNQCLSA-N 1 0 357.414 2.662 20 5 FFBDRO C[C@@H](CNC(=O)CSc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000047213364 507286002 /nfs/dbraw/zinc/28/60/02/507286002.db2.gz PQWOJKFYCBQVLY-KGLIPLIRSA-N 1 0 351.472 2.924 20 5 FFBDRO Cc1c(C(=O)N2CCC[N@@H+](C(C)C)CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000068776634 507319735 /nfs/dbraw/zinc/31/97/35/507319735.db2.gz GQVIRSNAHJFVFT-UHFFFAOYSA-N 1 0 364.402 2.676 20 5 FFBDRO CC[NH+](CC)CC1CCN([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000057847278 507341445 /nfs/dbraw/zinc/34/14/45/507341445.db2.gz ZWGXKRHKHIOCOP-HNNXBMFYSA-N 1 0 362.474 2.976 20 5 FFBDRO COc1cc(OCC(=O)Nc2ccc(C[NH+](C)C)cc2)ccc1[N+](=O)[O-] ZINC000068850085 507342183 /nfs/dbraw/zinc/34/21/83/507342183.db2.gz MZKMGAHEIMWUKQ-UHFFFAOYSA-N 1 0 359.382 2.683 20 5 FFBDRO C[N@H+](CCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])C1CCCCC1 ZINC000068996828 507377517 /nfs/dbraw/zinc/37/75/17/507377517.db2.gz STWNNIQHJYFZLU-UHFFFAOYSA-N 1 0 355.460 2.675 20 5 FFBDRO CNc1ccc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000025377210 507494741 /nfs/dbraw/zinc/49/47/41/507494741.db2.gz MRQDCWLXHUIUBK-INIZCTEOSA-N 1 0 358.398 2.796 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NC1CC[NH+](C(C)C)CC1 ZINC000069691443 507535077 /nfs/dbraw/zinc/53/50/77/507535077.db2.gz LIZSSYYKZIEKAX-UHFFFAOYSA-N 1 0 366.374 2.574 20 5 FFBDRO O=C(CC[NH+]1CCN(c2ccccc2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000026158545 507563044 /nfs/dbraw/zinc/56/30/44/507563044.db2.gz VWIIMTRVCDEKQF-UHFFFAOYSA-N 1 0 354.410 2.746 20 5 FFBDRO COc1ccc(NC(=O)CC[N@H+](C)CCOc2ccccc2)c([N+](=O)[O-])c1 ZINC000026222712 507570065 /nfs/dbraw/zinc/57/00/65/507570065.db2.gz LZCZLJKVYZJBMI-UHFFFAOYSA-N 1 0 373.409 2.943 20 5 FFBDRO C[N@H+](CCC(=O)Nc1ccc2c(c1)OCO2)Cc1ccccc1[N+](=O)[O-] ZINC000026349325 507580630 /nfs/dbraw/zinc/58/06/30/507580630.db2.gz BHAJKLFJXFAAOH-UHFFFAOYSA-N 1 0 357.366 2.784 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCC(C)(C)[NH+]2CCCCC2)c1C ZINC000026885538 507618937 /nfs/dbraw/zinc/61/89/37/507618937.db2.gz MJSXTKHSJRXKEJ-UHFFFAOYSA-N 1 0 369.487 2.754 20 5 FFBDRO O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000050029340 507653423 /nfs/dbraw/zinc/65/34/23/507653423.db2.gz XAMJLEZELYOHFP-LJQANCHMSA-N 1 0 368.437 2.788 20 5 FFBDRO CNc1ccc(C(=O)NC[C@@H](c2cccc(OC)c2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000027594960 507669483 /nfs/dbraw/zinc/66/94/83/507669483.db2.gz PKSQAFALNBNQKU-SFHVURJKSA-N 1 0 372.425 2.678 20 5 FFBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000027748302 507680474 /nfs/dbraw/zinc/68/04/74/507680474.db2.gz BLTMZCGMGIZNBS-INIZCTEOSA-N 1 0 374.485 2.802 20 5 FFBDRO C[C@@H](CNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)[NH+](C)C ZINC000063732517 507765714 /nfs/dbraw/zinc/76/57/14/507765714.db2.gz FGPWYSLFTQNOTM-AWEZNQCLSA-N 1 0 356.426 2.887 20 5 FFBDRO O=[N+]([O-])c1cccnc1NCCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000052430650 507809249 /nfs/dbraw/zinc/80/92/49/507809249.db2.gz AQTASRWKWYFEGW-UHFFFAOYSA-N 1 0 369.469 3.000 20 5 FFBDRO CC1CC[NH+](CCCNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000031220079 507818313 /nfs/dbraw/zinc/81/83/13/507818313.db2.gz SFUVFERBHFVTKV-UHFFFAOYSA-N 1 0 371.441 2.632 20 5 FFBDRO NC(=O)c1ccc(C[N@@H+]2CC[C@H](COCc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000072760395 507850273 /nfs/dbraw/zinc/85/02/73/507850273.db2.gz UIFXGQJETFQOFN-INIZCTEOSA-N 1 0 369.421 2.732 20 5 FFBDRO CC[N@H+](C)C[C@@H]1CCN([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000072859190 507865623 /nfs/dbraw/zinc/86/56/23/507865623.db2.gz KQDCVRBBWVQABV-KBPBESRZSA-N 1 0 359.430 2.979 20 5 FFBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000078438228 507870901 /nfs/dbraw/zinc/87/09/01/507870901.db2.gz MPTHXZADSYNXEV-CYBMUJFWSA-N 1 0 350.419 2.799 20 5 FFBDRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000108302696 507885218 /nfs/dbraw/zinc/88/52/18/507885218.db2.gz NKIVKLKHZGWEFA-CQSZACIVSA-N 1 0 372.450 2.932 20 5 FFBDRO Cn1cc(C[NH2+][C@@H]2CCN(CC3CC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000108423890 507894074 /nfs/dbraw/zinc/89/40/74/507894074.db2.gz OURWDBIULNLVJJ-QGZVFWFLSA-N 1 0 355.442 2.569 20 5 FFBDRO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000108505984 507899771 /nfs/dbraw/zinc/89/97/71/507899771.db2.gz ITIAGLHGQUUXEY-NSHDSACASA-N 1 0 370.356 2.802 20 5 FFBDRO CCC[C@@H]([NH2+][C@@H]1CCCN(c2ccn(C)n2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000090115955 507909288 /nfs/dbraw/zinc/90/92/88/507909288.db2.gz RBUHBWRDNPRJPV-IAGOWNOFSA-N 1 0 371.441 2.955 20 5 FFBDRO CCc1nc2c(s1)[C@@H]([N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O)CCC2 ZINC000090559553 507927410 /nfs/dbraw/zinc/92/74/10/507927410.db2.gz IYCDEAWVUOVRDJ-AWEZNQCLSA-N 1 0 362.455 2.785 20 5 FFBDRO CCc1nn(C)c(N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000091729306 508005707 /nfs/dbraw/zinc/00/57/07/508005707.db2.gz IUTKYSYQLOWQAP-OAHLLOKOSA-N 1 0 357.458 2.992 20 5 FFBDRO O=C(C[N@@H+](CCCO)[C@H]1CCc2ccccc21)Nc1ccccc1[N+](=O)[O-] ZINC000074313070 508010402 /nfs/dbraw/zinc/01/04/02/508010402.db2.gz JXSGASKAFSZKNM-SFHVURJKSA-N 1 0 369.421 2.905 20 5 FFBDRO CC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccccc1OCC(=O)NC ZINC000075819312 508135455 /nfs/dbraw/zinc/13/54/55/508135455.db2.gz BKYFWMMAAWNBNB-QGZVFWFLSA-N 1 0 357.410 2.961 20 5 FFBDRO CC[C@H](Cc1ccc(C)cc1)[N@H+](CC)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075885789 508139959 /nfs/dbraw/zinc/13/99/59/508139959.db2.gz BJEGOCFXEXRLHY-MJGOQNOKSA-N 1 0 360.458 2.804 20 5 FFBDRO COc1ccc(C(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000081125933 508140334 /nfs/dbraw/zinc/14/03/34/508140334.db2.gz JMHKPAFLCLLWFG-QGZVFWFLSA-N 1 0 369.421 2.950 20 5 FFBDRO Cc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)o1 ZINC000093534286 508148342 /nfs/dbraw/zinc/14/83/42/508148342.db2.gz LDIJPAXMVLXAPM-CQSZACIVSA-N 1 0 368.397 2.968 20 5 FFBDRO CCc1nn(C)c(NC[C@H]2CC[N@H+](CCc3ccccc3)C2)c1[N+](=O)[O-] ZINC000094155360 508171198 /nfs/dbraw/zinc/17/11/98/508171198.db2.gz XCNOAMIREJTZDV-MRXNPFEDSA-N 1 0 357.458 2.867 20 5 FFBDRO CC(C)[C@@H](CO)[N@H+](Cc1ccccc1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000112658252 508206457 /nfs/dbraw/zinc/20/64/57/508206457.db2.gz FXIKNICGZKXMMY-LJQANCHMSA-N 1 0 371.437 2.713 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000076483621 508212136 /nfs/dbraw/zinc/21/21/36/508212136.db2.gz LMQMEQIDLOSVLI-WBVHZDCISA-N 1 0 374.485 2.997 20 5 FFBDRO CC(C)OCC[NH+]1CCC(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000081995571 508223961 /nfs/dbraw/zinc/22/39/61/508223961.db2.gz RRYIILAPMPBJIZ-VMPITWQZSA-N 1 0 361.442 2.614 20 5 FFBDRO CC[NH+](CC)CCSCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000083092777 508236794 /nfs/dbraw/zinc/23/67/94/508236794.db2.gz YPRBIIXQMGDMPA-UHFFFAOYSA-N 1 0 353.444 2.968 20 5 FFBDRO Cc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)[NH+]2CCCC2)o1 ZINC000101678669 508254101 /nfs/dbraw/zinc/25/41/01/508254101.db2.gz OZNSFGLKGNSYCQ-HNNXBMFYSA-N 1 0 359.382 2.769 20 5 FFBDRO C[NH+](C)C[C@@H]1CCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000113452785 508268769 /nfs/dbraw/zinc/26/87/69/508268769.db2.gz DNOPUDUPJDQKQZ-LBPRGKRZSA-N 1 0 360.439 2.742 20 5 FFBDRO CC[N@H+](CCNC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])C(C)C ZINC000102478847 508276407 /nfs/dbraw/zinc/27/64/07/508276407.db2.gz CZNLVLRAFNIOMF-LBPRGKRZSA-N 1 0 357.838 2.862 20 5 FFBDRO Cn1cc(C(=O)NCC[N@H+](C)C2CCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000104574669 508338920 /nfs/dbraw/zinc/33/89/20/508338920.db2.gz BJXXFACULZDRLP-UHFFFAOYSA-N 1 0 371.441 2.600 20 5 FFBDRO COc1cc(C(=O)N2CC[NH+](C3CCC(C)CC3)CC2)ccc1[N+](=O)[O-] ZINC000115255352 508378287 /nfs/dbraw/zinc/37/82/87/508378287.db2.gz OXXMTUMVCLOJDA-UHFFFAOYSA-N 1 0 361.442 2.940 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000106364029 508399880 /nfs/dbraw/zinc/39/98/80/508399880.db2.gz ONQSLEDANFTMEN-WCQYABFASA-N 1 0 355.822 2.568 20 5 FFBDRO CC(C)(C)Oc1cc(NCC2CC[NH+](CCO)CC2)ccc1[N+](=O)[O-] ZINC000133585489 508420158 /nfs/dbraw/zinc/42/01/58/508420158.db2.gz WRKLACIACCIUGE-UHFFFAOYSA-N 1 0 351.447 2.888 20 5 FFBDRO C[C@H]([NH2+]C[C@@H](O)COc1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000133759115 508445546 /nfs/dbraw/zinc/44/55/46/508445546.db2.gz YMHHWPDDPOHYLM-SMDDNHRTSA-N 1 0 352.337 2.964 20 5 FFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000156671328 508459908 /nfs/dbraw/zinc/45/99/08/508459908.db2.gz ZTLHAKWTCNYICR-QAPCUYQASA-N 1 0 368.437 2.643 20 5 FFBDRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000116063645 508468029 /nfs/dbraw/zinc/46/80/29/508468029.db2.gz BVYMOQIPERDDJA-HNNXBMFYSA-N 1 0 371.441 2.523 20 5 FFBDRO COC(=O)c1cc(C(=O)N(CC[NH+](C)C)c2ccccc2)cc([N+](=O)[O-])c1 ZINC000116126181 508475342 /nfs/dbraw/zinc/47/53/42/508475342.db2.gz OQJFSCHPHJXAAX-UHFFFAOYSA-N 1 0 371.393 2.590 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000127617994 508477333 /nfs/dbraw/zinc/47/73/33/508477333.db2.gz KWANIGKEVHABPE-HNNXBMFYSA-N 1 0 364.446 2.786 20 5 FFBDRO C[C@@H]([C@@H]1Cc2ccccc2O1)[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000134247173 508513227 /nfs/dbraw/zinc/51/32/27/508513227.db2.gz IRJXCKHXGSZTJB-SGTLLEGYSA-N 1 0 355.394 2.518 20 5 FFBDRO COc1ccc(OCC[N@@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)c([N+](=O)[O-])c1 ZINC000122342402 508520073 /nfs/dbraw/zinc/52/00/73/508520073.db2.gz FLCKJRJFCIFRML-PBHICJAKSA-N 1 0 360.414 2.762 20 5 FFBDRO CC(C)C[C@](C)(C[NH3+])NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000157430275 508565325 /nfs/dbraw/zinc/56/53/25/508565325.db2.gz OWYKZYHEUVYIEK-OAHLLOKOSA-N 1 0 372.263 2.780 20 5 FFBDRO Cc1cccc(C(=O)NCc2ccccc2OCC[NH+](C)C)c1[N+](=O)[O-] ZINC000122750880 508582040 /nfs/dbraw/zinc/58/20/40/508582040.db2.gz JIBCUYXHNNTDJJ-UHFFFAOYSA-N 1 0 357.410 2.774 20 5 FFBDRO CC(C)(C)[NH+]1CCC(NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)CC1 ZINC000122773961 508584954 /nfs/dbraw/zinc/58/49/54/508584954.db2.gz UEBPYWLWNXSMLN-UHFFFAOYSA-N 1 0 360.458 2.925 20 5 FFBDRO CCC[NH+]1CCC(CNC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000122853881 508597072 /nfs/dbraw/zinc/59/70/72/508597072.db2.gz CBAHDEGZNIKKOV-UHFFFAOYSA-N 1 0 350.419 2.847 20 5 FFBDRO COc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000157692159 508598267 /nfs/dbraw/zinc/59/82/67/508598267.db2.gz WYGUVZARDRWROM-KRWDZBQOSA-N 1 0 358.394 2.749 20 5 FFBDRO Cc1sc(S(=O)(=O)NCc2ccc(C[NH+](C)C)cc2)cc1[N+](=O)[O-] ZINC000122882564 508601214 /nfs/dbraw/zinc/60/12/14/508601214.db2.gz JBXVBQMUQJPGMB-UHFFFAOYSA-N 1 0 369.468 2.505 20 5 FFBDRO COc1ccccc1[C@H]1CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000157904172 508629919 /nfs/dbraw/zinc/62/99/19/508629919.db2.gz DTFQBMSTOLGKIX-RDJZCZTQSA-N 1 0 372.421 2.833 20 5 FFBDRO COC[C@@H](O)CC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000153736110 508638136 /nfs/dbraw/zinc/63/81/36/508638136.db2.gz OEESZSGTSNXVPY-LBPRGKRZSA-N 1 0 354.790 2.995 20 5 FFBDRO COC(=O)[C@@H](C)C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C1CC1 ZINC000153761521 508644269 /nfs/dbraw/zinc/64/42/69/508644269.db2.gz CMQABHQBRSROBL-ZDUSSCGKSA-N 1 0 363.414 2.505 20 5 FFBDRO CCOc1ccnc(N2CCC[N@H+](CCc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000135773938 508648748 /nfs/dbraw/zinc/64/87/48/508648748.db2.gz XKCLEXJYQVRRGI-UHFFFAOYSA-N 1 0 371.441 2.538 20 5 FFBDRO Cc1sc(S(=O)(=O)NC2CC[NH+](C(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000123247041 508657667 /nfs/dbraw/zinc/65/76/67/508657667.db2.gz BAKCPPOUELCSLV-UHFFFAOYSA-N 1 0 361.489 2.506 20 5 FFBDRO O=C(CC[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000128961084 508664521 /nfs/dbraw/zinc/66/45/21/508664521.db2.gz OWVLWDARAPYHQQ-WBMJQRKESA-N 1 0 351.378 2.563 20 5 FFBDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)c3[nH]ncc3[N+](=O)[O-])cc2)C1 ZINC000136245208 508681566 /nfs/dbraw/zinc/68/15/66/508681566.db2.gz NEPSVVIANQUMRX-OKILXGFUSA-N 1 0 371.441 2.726 20 5 FFBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000136610629 508703409 /nfs/dbraw/zinc/70/34/09/508703409.db2.gz DAGIAVDDWSAWGR-AWEZNQCLSA-N 1 0 358.442 2.809 20 5 FFBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CCC[C@@H]([NH3+])C2)cc1 ZINC000158554961 508721081 /nfs/dbraw/zinc/72/10/81/508721081.db2.gz CRFFBMSFJNLICG-CYBMUJFWSA-N 1 0 371.393 2.959 20 5 FFBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000154175243 508730806 /nfs/dbraw/zinc/73/08/06/508730806.db2.gz BOFRSAPFOFNBMG-QWHCGFSZSA-N 1 0 370.247 2.960 20 5 FFBDRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000154266880 508748599 /nfs/dbraw/zinc/74/85/99/508748599.db2.gz HCPPXYHMOGMXAA-YGRLFVJLSA-N 1 0 370.247 2.816 20 5 FFBDRO C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)C1([NH+]2CCOCC2)CCCC1 ZINC000129664762 508751823 /nfs/dbraw/zinc/75/18/23/508751823.db2.gz UKEBKIUCZROSIF-AWEZNQCLSA-N 1 0 362.430 2.750 20 5 FFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000129701376 508756284 /nfs/dbraw/zinc/75/62/84/508756284.db2.gz IIIICHQYQJUGKP-MRXNPFEDSA-N 1 0 363.458 2.536 20 5 FFBDRO O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000158848538 508759653 /nfs/dbraw/zinc/75/96/53/508759653.db2.gz QEURJVHGBRILEW-KRWDZBQOSA-N 1 0 358.423 2.544 20 5 FFBDRO Cc1c(Br)cc(C(=O)NC[C@@H](C2CC2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000119270642 508761627 /nfs/dbraw/zinc/76/16/27/508761627.db2.gz XWFBYJKPNVICFF-AWEZNQCLSA-N 1 0 370.247 2.736 20 5 FFBDRO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CC[NH+](C2CCCCC2)CC1 ZINC000154416468 508780286 /nfs/dbraw/zinc/78/02/86/508780286.db2.gz NKNDQLNPWQZWOH-UHFFFAOYSA-N 1 0 357.414 2.562 20 5 FFBDRO O=[N+]([O-])c1ccn(CCN2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)n1 ZINC000159234178 508812225 /nfs/dbraw/zinc/81/22/25/508812225.db2.gz XWUABLDAYAZESK-MOPGFXCFSA-N 1 0 369.469 2.778 20 5 FFBDRO O=C(NCc1ccccc1[N+](=O)[O-])N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000124321842 508814671 /nfs/dbraw/zinc/81/46/71/508814671.db2.gz LFHSQGZGOXFUBT-WBVHZDCISA-N 1 0 358.442 2.753 20 5 FFBDRO C[NH+](C)Cc1ccc(CNC(=O)CNc2ccccc2[N+](=O)[O-])cc1F ZINC000154645428 508825297 /nfs/dbraw/zinc/82/52/97/508825297.db2.gz ZTPPSUVEBNKKAE-UHFFFAOYSA-N 1 0 360.389 2.524 20 5 FFBDRO COC(=O)CC[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)CC(C)C ZINC000143820784 508834161 /nfs/dbraw/zinc/83/41/61/508834161.db2.gz NAVLZYSMAZPSKT-UHFFFAOYSA-N 1 0 362.386 2.666 20 5 FFBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000130730004 508837962 /nfs/dbraw/zinc/83/79/62/508837962.db2.gz OCEWOJOQKMLFTK-CJNGLKHVSA-N 1 0 367.421 2.601 20 5 FFBDRO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000159517123 508852185 /nfs/dbraw/zinc/85/21/85/508852185.db2.gz AGNSKMHBZJTQLV-AAEUAGOBSA-N 1 0 360.439 2.804 20 5 FFBDRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H]2CC(C)(C)OC2(C)C)c([N+](=O)[O-])c1 ZINC000119803631 508866129 /nfs/dbraw/zinc/86/61/29/508866129.db2.gz CDYLQKQDZNJBIZ-IAQYHMDHSA-N 1 0 365.430 2.866 20 5 FFBDRO O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159844696 508899300 /nfs/dbraw/zinc/89/93/00/508899300.db2.gz JIUBEPPSGDDXAF-GASCZTMLSA-N 1 0 358.442 2.552 20 5 FFBDRO CN(CCC(=O)OC(C)(C)C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000150964657 508931731 /nfs/dbraw/zinc/93/17/31/508931731.db2.gz WZQIXHKRJZNSQS-UHFFFAOYSA-N 1 0 362.386 2.808 20 5 FFBDRO Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)cc1[N+](=O)[O-] ZINC000120223004 508953724 /nfs/dbraw/zinc/95/37/24/508953724.db2.gz HKTUSGXSJOUWRP-HNNXBMFYSA-N 1 0 369.487 2.550 20 5 FFBDRO C[NH+](C)CC1CCC(NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC000125278150 508959194 /nfs/dbraw/zinc/95/91/94/508959194.db2.gz MUQWBXWDGIPBPT-UHFFFAOYSA-N 1 0 360.458 2.783 20 5 FFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000160710525 509023547 /nfs/dbraw/zinc/02/35/47/509023547.db2.gz JCGZICOKOHMMKG-KRWDZBQOSA-N 1 0 360.458 2.999 20 5 FFBDRO C[NH2+][C@H]1CCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000160778401 509032003 /nfs/dbraw/zinc/03/20/03/509032003.db2.gz FFEQKWOBELCMQC-INIZCTEOSA-N 1 0 354.410 2.641 20 5 FFBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000132449961 509033342 /nfs/dbraw/zinc/03/33/42/509033342.db2.gz GDMVHLIPNXVTKM-UHFFFAOYSA-N 1 0 357.414 2.724 20 5 FFBDRO CC[C@H]1CN(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)CC[N@@H+]1C[C@@H](C)O ZINC000120835873 509073909 /nfs/dbraw/zinc/07/39/09/509073909.db2.gz GTESIBBZRWAMNC-HIFRSBDPSA-N 1 0 364.446 2.521 20 5 FFBDRO CC(C)N(CC[NH+](C)C)C(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000151774655 509080433 /nfs/dbraw/zinc/08/04/33/509080433.db2.gz LVMGJIMTXLFWMV-GFCCVEGCSA-N 1 0 357.838 2.814 20 5 FFBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H](Oc3ccccc3Cl)C2)c1 ZINC000133028040 509105873 /nfs/dbraw/zinc/10/58/73/509105873.db2.gz DWWLYCZPJGOVAX-CQSZACIVSA-N 1 0 350.806 2.988 20 5 FFBDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000161761684 509150754 /nfs/dbraw/zinc/15/07/54/509150754.db2.gz VOJGOQONAMOBCZ-NXEZZACHSA-N 1 0 361.320 2.536 20 5 FFBDRO O=C([C@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000161975066 509167343 /nfs/dbraw/zinc/16/73/43/509167343.db2.gz LPQIRGBJAVLFQC-MDASCCDHSA-N 1 0 373.453 2.885 20 5 FFBDRO CN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000162064527 509171131 /nfs/dbraw/zinc/17/11/31/509171131.db2.gz BOIWPASQDKADHP-UHFFFAOYSA-N 1 0 356.220 2.524 20 5 FFBDRO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000162087692 509172022 /nfs/dbraw/zinc/17/20/22/509172022.db2.gz JATZTQMGDJNWLQ-NSHDSACASA-N 1 0 370.247 2.962 20 5 FFBDRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000266776905 509188801 /nfs/dbraw/zinc/18/88/01/509188801.db2.gz BVUGZZUIESZVRM-QWHCGFSZSA-N 1 0 363.439 2.915 20 5 FFBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000172706216 509189928 /nfs/dbraw/zinc/18/99/28/509189928.db2.gz QWESVRPALUDPHF-OAHLLOKOSA-N 1 0 360.458 2.609 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C2(Cc3ccccc3)CCCCC2)c1 ZINC000185461012 509190622 /nfs/dbraw/zinc/19/06/22/509190622.db2.gz XQUGSKYHBDBGRX-GOSISDBHSA-N 1 0 358.442 2.687 20 5 FFBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NCCC[NH+]2CCCCC2)cc1OC ZINC000247917514 509191496 /nfs/dbraw/zinc/19/14/96/509191496.db2.gz NEPVHPFIHMNJDF-UHFFFAOYSA-N 1 0 365.430 2.608 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000247977752 509208813 /nfs/dbraw/zinc/20/88/13/509208813.db2.gz GSUYHCFTRNZADW-FUHWJXTLSA-N 1 0 355.394 2.779 20 5 FFBDRO CC(C)CN1CCO[C@H](C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000248035724 509221299 /nfs/dbraw/zinc/22/12/99/509221299.db2.gz RNYAJKLQHSFFLD-RTBURBONSA-N 1 0 361.486 2.862 20 5 FFBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)NCc1ccc2c(c1)C[NH2+]C2 ZINC000188762371 509252013 /nfs/dbraw/zinc/25/20/13/509252013.db2.gz ILDOEPBCVBTPKE-UHFFFAOYSA-N 1 0 354.410 2.707 20 5 FFBDRO CCC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)C1 ZINC000191998063 509284641 /nfs/dbraw/zinc/28/46/41/509284641.db2.gz IPYKLTPENGBYQC-OAHLLOKOSA-N 1 0 369.487 2.564 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000248438837 509320546 /nfs/dbraw/zinc/32/05/46/509320546.db2.gz CBWLAQRPRGMQBV-QZTJIDSGSA-N 1 0 356.422 2.899 20 5 FFBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000162973266 509326476 /nfs/dbraw/zinc/32/64/76/509326476.db2.gz AYXOYYYVYTUQIH-LBPRGKRZSA-N 1 0 370.247 2.880 20 5 FFBDRO C[C@@H]1C[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H]2CCCC[C@@H]12 ZINC000248465358 509334248 /nfs/dbraw/zinc/33/42/48/509334248.db2.gz RPKBFNANRJOYEG-COXVUDFISA-N 1 0 352.456 2.879 20 5 FFBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NCCCCC[NH+]2CCCCC2)c1 ZINC000185780817 509353648 /nfs/dbraw/zinc/35/36/48/509353648.db2.gz NBIWGSYLJLJITM-UHFFFAOYSA-N 1 0 355.460 2.529 20 5 FFBDRO Cc1cc(C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c(N)c([N+](=O)[O-])c1 ZINC000182824569 509443863 /nfs/dbraw/zinc/44/38/63/509443863.db2.gz MUCGNTFPBISQLZ-KBPBESRZSA-N 1 0 360.458 2.868 20 5 FFBDRO O=C(CC[NH+]1CCC([C@@H]2CCCO2)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000189217241 509467129 /nfs/dbraw/zinc/46/71/29/509467129.db2.gz GGOGBHGGHIGOCZ-KRWDZBQOSA-N 1 0 365.405 2.954 20 5 FFBDRO CC(C)C[C@@H](C[NH3+])NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000236640398 509469175 /nfs/dbraw/zinc/46/91/75/509469175.db2.gz XETBVPNFISWJBU-HNNXBMFYSA-N 1 0 351.450 2.644 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N3C[C@H](C)[NH2+]C[C@@H]3C)cc2[N+](=O)[O-])CC1 ZINC000236669401 509476235 /nfs/dbraw/zinc/47/62/35/509476235.db2.gz ROLGAUVIALQCFH-GJZGRUSLSA-N 1 0 360.458 2.654 20 5 FFBDRO Cc1cc(N2CC[NH+](C3CCOCC3)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000182944017 509509559 /nfs/dbraw/zinc/50/95/59/509509559.db2.gz SXMQKSRYFHHDSF-UHFFFAOYSA-N 1 0 356.426 2.752 20 5 FFBDRO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNc3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000264472871 509548285 /nfs/dbraw/zinc/54/82/85/509548285.db2.gz OAKABYFVQHDDDZ-QGZVFWFLSA-N 1 0 368.437 2.904 20 5 FFBDRO CC[NH2+]CC1CCN(C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)CC1 ZINC000237019418 509552867 /nfs/dbraw/zinc/55/28/67/509552867.db2.gz ZDRNKMNSYDAFNH-CYBMUJFWSA-N 1 0 351.472 2.924 20 5 FFBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000183022451 509552978 /nfs/dbraw/zinc/55/29/78/509552978.db2.gz AIGUOKOHBCUSGD-GWCFXTLKSA-N 1 0 357.357 2.608 20 5 FFBDRO CCn1nc(C)c([N+](=O)[O-])c1NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000192672561 509592926 /nfs/dbraw/zinc/59/29/26/509592926.db2.gz RJOWHJNHVRUPOF-UHFFFAOYSA-N 1 0 365.478 2.814 20 5 FFBDRO O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000264552930 509596690 /nfs/dbraw/zinc/59/66/90/509596690.db2.gz DATXVZDCXOUNBI-KRWDZBQOSA-N 1 0 372.469 2.895 20 5 FFBDRO CS(=O)(=O)CCC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000237301585 509617553 /nfs/dbraw/zinc/61/75/53/509617553.db2.gz VPLSKLUXKGPDQF-UHFFFAOYSA-N 1 0 354.453 2.848 20 5 FFBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NC[C@H]([NH3+])C2CC2)cc1 ZINC000237455866 509651611 /nfs/dbraw/zinc/65/16/11/509651611.db2.gz NHZXSUGMYXSDRR-KRWDZBQOSA-N 1 0 371.393 2.863 20 5 FFBDRO C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])s1)[C@@H](c1ccccc1)[NH+](C)C ZINC000192865730 509676966 /nfs/dbraw/zinc/67/69/66/509676966.db2.gz FYYQEGNUTUDYII-ABAIWWIYSA-N 1 0 369.468 2.626 20 5 FFBDRO Cc1csc(Sc2ccc(C(=O)N3CC[NH2+]CC3)cc2[N+](=O)[O-])n1 ZINC000237648699 509701440 /nfs/dbraw/zinc/70/14/40/509701440.db2.gz MHIFOFFYEBQFNL-UHFFFAOYSA-N 1 0 364.452 2.556 20 5 FFBDRO NC(=O)c1ccc(NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000192958628 509713906 /nfs/dbraw/zinc/71/39/06/509713906.db2.gz JJORMVYTWDPCSW-HNNXBMFYSA-N 1 0 354.410 2.628 20 5 FFBDRO [NH3+]C1(CNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CCCCCC1 ZINC000237781812 509732969 /nfs/dbraw/zinc/73/29/69/509732969.db2.gz RUNXBWFDBNWPDQ-UHFFFAOYSA-N 1 0 357.414 2.562 20 5 FFBDRO [NH3+]C1CCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000237847952 509751614 /nfs/dbraw/zinc/75/16/14/509751614.db2.gz IIOMRXWLRFSMAP-UHFFFAOYSA-N 1 0 354.410 2.770 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000176936629 509775602 /nfs/dbraw/zinc/77/56/02/509775602.db2.gz DLEYFWWNXIKILY-UHFFFAOYSA-N 1 0 367.471 2.589 20 5 FFBDRO CCC[N@@H+]1CC[C@@H](CNC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000268148222 509779720 /nfs/dbraw/zinc/77/97/20/509779720.db2.gz WGCWSRCVFGRAFQ-LBPRGKRZSA-N 1 0 354.838 2.779 20 5 FFBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000268158609 509787043 /nfs/dbraw/zinc/78/70/43/509787043.db2.gz QADSTROHWSGYLS-CYBMUJFWSA-N 1 0 366.849 2.876 20 5 FFBDRO C[N@@H+]1CC[C@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1 ZINC000180172512 509793218 /nfs/dbraw/zinc/79/32/18/509793218.db2.gz PHSFRAZEXPGHGA-HKUYNNGSSA-N 1 0 355.394 2.535 20 5 FFBDRO C[N@@H+]1CC[C@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000180175135 509794853 /nfs/dbraw/zinc/79/48/53/509794853.db2.gz KWFZLMWZPVVDJY-PXNSSMCTSA-N 1 0 368.437 2.958 20 5 FFBDRO COC[C@@H]1C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H](C)O1 ZINC000251522173 509810659 /nfs/dbraw/zinc/81/06/59/509810659.db2.gz CUEPSRLOYXNLML-BBRMVZONSA-N 1 0 361.398 2.528 20 5 FFBDRO COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC000183594448 509877737 /nfs/dbraw/zinc/87/77/37/509877737.db2.gz SZRQDAQOCIKLBT-ZDUSSCGKSA-N 1 0 371.393 2.888 20 5 FFBDRO O=C(Nc1ccncc1[N+](=O)[O-])N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000183626957 509892695 /nfs/dbraw/zinc/89/26/95/509892695.db2.gz VMTBJUQVMALOFV-MRXNPFEDSA-N 1 0 355.398 2.948 20 5 FFBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000180389428 509899408 /nfs/dbraw/zinc/89/94/08/509899408.db2.gz USNZEWNCHKAVSF-NSHDSACASA-N 1 0 357.357 2.800 20 5 FFBDRO CCS[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000190049117 509907766 /nfs/dbraw/zinc/90/77/66/509907766.db2.gz AFVVNCGQDYMKAK-GRDNDAEWSA-N 1 0 354.472 2.988 20 5 FFBDRO C[C@@H]([NH2+]CCOc1cccc(S(C)(=O)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000180437698 509925708 /nfs/dbraw/zinc/92/57/08/509925708.db2.gz VPXAXYHTYMLYPZ-CYBMUJFWSA-N 1 0 364.423 2.728 20 5 FFBDRO CC(=O)Nc1ccc(OC[C@H](O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000180453383 509933493 /nfs/dbraw/zinc/93/34/93/509933493.db2.gz MDOBJXKMVAXXPA-SCLBCKFNSA-N 1 0 373.409 2.644 20 5 FFBDRO Cc1ccc(C)c(S(=O)(=O)N2CCC(CC[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000190111919 509944390 /nfs/dbraw/zinc/94/43/90/509944390.db2.gz MZXZTPYPMRJBAV-UHFFFAOYSA-N 1 0 369.487 2.564 20 5 FFBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H]([NH+](CC)CC)C2)cc1OC ZINC000174174387 509985608 /nfs/dbraw/zinc/98/56/08/509985608.db2.gz YXACKNLWHPGFIY-CYBMUJFWSA-N 1 0 365.430 2.558 20 5 FFBDRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000183851016 510006149 /nfs/dbraw/zinc/00/61/49/510006149.db2.gz ISLOSGLYNKQAQC-INIZCTEOSA-N 1 0 369.849 2.658 20 5 FFBDRO Cc1nn(CCC(=O)Nc2cc(C[NH+](C)C)ccc2C)c(C)c1[N+](=O)[O-] ZINC000177357281 510010985 /nfs/dbraw/zinc/01/09/85/510010985.db2.gz FVYMBAMNEFWABE-UHFFFAOYSA-N 1 0 359.430 2.807 20 5 FFBDRO COc1cc(CN2C[C@@H](C)[C@@H]([NH3+])C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000261679633 510024496 /nfs/dbraw/zinc/02/44/96/510024496.db2.gz AFUZUVWIXOYNLP-KDOFPFPSSA-N 1 0 371.437 2.961 20 5 FFBDRO Cc1ccc(CN(C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000190314996 510058394 /nfs/dbraw/zinc/05/83/94/510058394.db2.gz NVNMLFOJDSPQFH-OAQYLSRUSA-N 1 0 369.465 2.972 20 5 FFBDRO Cn1cnc([N+](=O)[O-])c1Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000265569923 510120486 /nfs/dbraw/zinc/12/04/86/510120486.db2.gz LFHKXGGDXLARGG-UHFFFAOYSA-N 1 0 358.446 2.850 20 5 FFBDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000177548745 510128905 /nfs/dbraw/zinc/12/89/05/510128905.db2.gz CCDDABQUFXZYIE-IRXDYDNUSA-N 1 0 374.485 2.800 20 5 FFBDRO CCc1n[nH]c(C(=O)NCc2ccc(C[NH+](CC)CC)cc2)c1[N+](=O)[O-] ZINC000171397997 510131553 /nfs/dbraw/zinc/13/15/53/510131553.db2.gz FYTXBCJQNLOKTL-UHFFFAOYSA-N 1 0 359.430 2.652 20 5 FFBDRO COc1cc(Br)ccc1[C@@H](C)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000190440888 510132612 /nfs/dbraw/zinc/13/26/12/510132612.db2.gz BKCNUKOLFHTXPY-SNVBAGLBSA-N 1 0 369.219 2.913 20 5 FFBDRO C[C@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)[C@H](c1ccccc1)[NH+](C)C ZINC000187223808 510135156 /nfs/dbraw/zinc/13/51/56/510135156.db2.gz RGUGCNBEFRNXMQ-IFXJQAMLSA-N 1 0 357.410 2.781 20 5 FFBDRO C[C@@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)[C@H](c1ccccc1)[NH+](C)C ZINC000187223832 510136113 /nfs/dbraw/zinc/13/61/13/510136113.db2.gz RGUGCNBEFRNXMQ-AUUYWEPGSA-N 1 0 357.410 2.781 20 5 FFBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])C1 ZINC000174513373 510151695 /nfs/dbraw/zinc/15/16/95/510151695.db2.gz UVTHSBHAPCDMCB-GFCCVEGCSA-N 1 0 367.471 2.739 20 5 FFBDRO C[NH2+]CCC1CCN(C(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000262104337 510179698 /nfs/dbraw/zinc/17/96/98/510179698.db2.gz TYDGJLWQTSVMNR-LBPRGKRZSA-N 1 0 369.849 2.864 20 5 FFBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000245882418 510185189 /nfs/dbraw/zinc/18/51/89/510185189.db2.gz IITARBGUGPMJJC-XJKSGUPXSA-N 1 0 354.410 2.699 20 5 FFBDRO COc1ccccc1CNC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000194056695 510196436 /nfs/dbraw/zinc/19/64/36/510196436.db2.gz RMDDSOMUNNPVKG-KBPBESRZSA-N 1 0 357.410 2.959 20 5 FFBDRO O=C(CN1CC[NH2+]C[C@H]1c1ccccc1Cl)Nc1ccccc1[N+](=O)[O-] ZINC000262309307 510239949 /nfs/dbraw/zinc/23/99/49/510239949.db2.gz YRQSXVZQLCHVLU-KRWDZBQOSA-N 1 0 374.828 2.833 20 5 FFBDRO C[C@@H](NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1CCC[NH2+]C1 ZINC000269167492 510268457 /nfs/dbraw/zinc/26/84/57/510268457.db2.gz DHPGWWXRJYBBGE-YPMHNXCESA-N 1 0 360.439 2.836 20 5 FFBDRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)c3cc([N+](=O)[O-])ccc3N)C2)CC1 ZINC000184343950 510275931 /nfs/dbraw/zinc/27/59/31/510275931.db2.gz ALNJKFFAEPTVLR-HNNXBMFYSA-N 1 0 360.458 2.761 20 5 FFBDRO C[C@@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)[C@H]1CCC[NH2+]C1 ZINC000269186861 510279095 /nfs/dbraw/zinc/27/90/95/510279095.db2.gz JQGIHWRLVRTLKO-CVEARBPZSA-N 1 0 363.461 2.659 20 5 FFBDRO CC1CC[NH+](CCNC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000184449573 510329745 /nfs/dbraw/zinc/32/97/45/510329745.db2.gz VJQCSQCUUFUUMF-UHFFFAOYSA-N 1 0 354.838 2.779 20 5 FFBDRO CN(C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC000262635150 510346214 /nfs/dbraw/zinc/34/62/14/510346214.db2.gz PEJIIYBYIXMFDD-MRXNPFEDSA-N 1 0 354.410 2.641 20 5 FFBDRO C[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1cccc(N2CCOC2=O)c1 ZINC000181314225 510351659 /nfs/dbraw/zinc/35/16/59/510351659.db2.gz OWVGSMNLARDUMC-SCLBCKFNSA-N 1 0 371.393 2.936 20 5 FFBDRO C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(-c2cccnc2)cc1 ZINC000181323372 510356354 /nfs/dbraw/zinc/35/63/54/510356354.db2.gz JBTVCBADPPEYNY-LIRRHRJNSA-N 1 0 367.409 2.565 20 5 FFBDRO Cc1ccc(CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C[C@H]2CCCO2)cc1 ZINC000174879560 510361619 /nfs/dbraw/zinc/36/16/19/510361619.db2.gz XFAAONUVLYDXPG-LJQANCHMSA-N 1 0 358.442 2.823 20 5 FFBDRO Nc1c(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000178151094 510459974 /nfs/dbraw/zinc/45/99/74/510459974.db2.gz VHPSYBBXNYNBIS-QGZVFWFLSA-N 1 0 354.410 2.744 20 5 FFBDRO O=[N+]([O-])c1cccc([C@@H](O)CN2CC[NH+](CCc3cccs3)CC2)c1 ZINC000269638176 510493769 /nfs/dbraw/zinc/49/37/69/510493769.db2.gz AYTLVPPSEDMHGT-SFHVURJKSA-N 1 0 361.467 2.550 20 5 FFBDRO C[NH+](C)C[C@H]1CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000172029530 510507694 /nfs/dbraw/zinc/50/76/94/510507694.db2.gz OGKAAKOUIHOGMO-MRXNPFEDSA-N 1 0 363.461 2.565 20 5 FFBDRO COCC[C@@](C)(O)C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000172070423 510526678 /nfs/dbraw/zinc/52/66/78/510526678.db2.gz PLEPBCJZGUQNCL-MRXNPFEDSA-N 1 0 351.428 2.595 20 5 FFBDRO CC(C)(COc1ccc(C(F)(F)F)cn1)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000181662663 510528145 /nfs/dbraw/zinc/52/81/45/510528145.db2.gz XDBKKWRMVMYGSP-UHFFFAOYSA-N 1 0 373.335 2.652 20 5 FFBDRO C[C@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181664695 510529661 /nfs/dbraw/zinc/52/96/61/510529661.db2.gz WZQCCOGTNQAXCM-LSDHHAIUSA-N 1 0 361.442 2.743 20 5 FFBDRO C[C@H](CS(C)(=O)=O)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000172121756 510553341 /nfs/dbraw/zinc/55/33/41/510553341.db2.gz BODAYDUTHMAERW-LLVKDONJSA-N 1 0 354.453 2.846 20 5 FFBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000172153989 510573137 /nfs/dbraw/zinc/57/31/37/510573137.db2.gz LARCQZWETCNAAC-HNNXBMFYSA-N 1 0 364.446 2.667 20 5 FFBDRO Cc1ccc([C@@H](C)[NH2+]CCn2cnc3ccccc3c2=O)cc1[N+](=O)[O-] ZINC000181815484 510607965 /nfs/dbraw/zinc/60/79/65/510607965.db2.gz KHHJJOXRSXXDOC-CQSZACIVSA-N 1 0 352.394 2.964 20 5 FFBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CC[NH2+]C(C)(C)C3)cc2[N+](=O)[O-])C1 ZINC000175432318 510645208 /nfs/dbraw/zinc/64/52/08/510645208.db2.gz QZLQRNYDEHJQCB-HUUCEWRRSA-N 1 0 374.485 2.901 20 5 FFBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CC[C@@H](C[NH3+])C2)cc1 ZINC000178588152 510676079 /nfs/dbraw/zinc/67/60/79/510676079.db2.gz CJLXTYXLVWKLFC-ZDUSSCGKSA-N 1 0 371.393 2.817 20 5 FFBDRO CCC[NH+]1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000172337532 510676650 /nfs/dbraw/zinc/67/66/50/510676650.db2.gz XMSHNPNIFBZAOR-UHFFFAOYSA-N 1 0 358.345 2.756 20 5 FFBDRO O=C(Cc1cccc([N+](=O)[O-])c1)Nc1ccccc1C[NH+]1CCC(O)CC1 ZINC000182061008 510735893 /nfs/dbraw/zinc/73/58/93/510735893.db2.gz SKFDOIRYVXSKRZ-UHFFFAOYSA-N 1 0 369.421 2.733 20 5 FFBDRO Cc1ccc(C[C@H](CO)[NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000191587687 510738707 /nfs/dbraw/zinc/73/87/07/510738707.db2.gz JAIAXLDSJMFWRX-CRAIPNDOSA-N 1 0 371.437 2.814 20 5 FFBDRO CC(C)C[C@]1(CO)CCC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000191640011 510766675 /nfs/dbraw/zinc/76/66/75/510766675.db2.gz IJXXDFIIHACXOU-SFHVURJKSA-N 1 0 350.415 2.834 20 5 FFBDRO O=[N+]([O-])c1cccc(OCC[NH2+][C@@H](CN2CCOCC2)c2ccccc2)c1 ZINC000182135961 510776049 /nfs/dbraw/zinc/77/60/49/510776049.db2.gz KXMIOYFDROTNCT-FQEVSTJZSA-N 1 0 371.437 2.637 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCc2[nH]c3ccccc3c2C1 ZINC000182153932 510783930 /nfs/dbraw/zinc/78/39/30/510783930.db2.gz DDSAWCRDSYRKON-CQSZACIVSA-N 1 0 367.405 2.874 20 5 FFBDRO C[C@H]([NH2+]Cc1cnc(N2CCOCC2)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000185283066 510789049 /nfs/dbraw/zinc/78/90/49/510789049.db2.gz RRILKRLQXPEWJZ-ZDUSSCGKSA-N 1 0 360.389 2.816 20 5 FFBDRO COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000270433161 510807806 /nfs/dbraw/zinc/80/78/06/510807806.db2.gz JNSFWKBMNHFDSB-MAUKXSAKSA-N 1 0 364.398 2.673 20 5 FFBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000182235158 510826828 /nfs/dbraw/zinc/82/68/28/510826828.db2.gz ITWCBMQHPUMERF-NSHDSACASA-N 1 0 357.357 2.610 20 5 FFBDRO COc1cc(C(=O)N[C@H](C)C[NH+]2CCCCCC2)c([N+](=O)[O-])cc1OC ZINC000185412116 510838465 /nfs/dbraw/zinc/83/84/65/510838465.db2.gz QKTPCIWRXUNLBY-CYBMUJFWSA-N 1 0 365.430 2.606 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)CSc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000247425382 510860697 /nfs/dbraw/zinc/86/06/97/510860697.db2.gz OHJAWPTUODUMSX-XJKSGUPXSA-N 1 0 351.472 2.876 20 5 FFBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000247454082 510861254 /nfs/dbraw/zinc/86/12/54/510861254.db2.gz QLJYHESONXMVPU-GOEBONIOSA-N 1 0 360.458 2.607 20 5 FFBDRO COc1ccc(OC)c([C@H](O)C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000293887178 510888411 /nfs/dbraw/zinc/88/84/11/510888411.db2.gz VSAONHODHCBJJQ-APPDUMDISA-N 1 0 361.398 2.578 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(N2CCC([NH+]3CCN(C(C)C)CC3)CC2)c1 ZINC000270514515 510892792 /nfs/dbraw/zinc/89/27/92/510892792.db2.gz XVCJBZRYFMTEFF-UHFFFAOYSA-N 1 0 362.474 2.598 20 5 FFBDRO CN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285426176 510900927 /nfs/dbraw/zinc/90/09/27/510900927.db2.gz GZWRNGWMQZEZQY-XYPWUTKMSA-N 1 0 357.414 2.702 20 5 FFBDRO C[C@@H]1OCC[C@@]12CN(Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)CCO2 ZINC000294089322 510951654 /nfs/dbraw/zinc/95/16/54/510951654.db2.gz LRFSVFCOLLKVIN-XHDPSFHLSA-N 1 0 360.332 2.993 20 5 FFBDRO O=C(CC[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000364604031 510965527 /nfs/dbraw/zinc/96/55/27/510965527.db2.gz HIVMQIHWFVPVCV-GFCCVEGCSA-N 1 0 361.377 2.665 20 5 FFBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@H]1CCC2(CCOCC2)[C@@H]1O ZINC000282646054 511059194 /nfs/dbraw/zinc/05/91/94/511059194.db2.gz HLTPKNUUMAWRMT-MLGOLLRUSA-N 1 0 354.834 2.906 20 5 FFBDRO COc1cc(C[NH2+][C@@H]2CCO[C@H]2C2CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000364766556 511070238 /nfs/dbraw/zinc/07/02/38/511070238.db2.gz BHLBGZOIOTWWHW-ABAIWWIYSA-N 1 0 358.341 2.862 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000361650749 511074807 /nfs/dbraw/zinc/07/48/07/511074807.db2.gz AVBSYEKDDOJABC-OAHLLOKOSA-N 1 0 369.425 2.901 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCn2cccc2[C@@H]1C ZINC000298083997 511170033 /nfs/dbraw/zinc/17/00/33/511170033.db2.gz JWWDSEJNNBVNQY-ZDUSSCGKSA-N 1 0 358.398 2.810 20 5 FFBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])CC[C@H]21 ZINC000279683109 511176061 /nfs/dbraw/zinc/17/60/61/511176061.db2.gz AOOFZRIUNKMCQG-XHDPSFHLSA-N 1 0 369.824 2.873 20 5 FFBDRO COCCCN(C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000291511121 511226315 /nfs/dbraw/zinc/22/63/15/511226315.db2.gz WQEHRJSBYQYZHE-UHFFFAOYSA-N 1 0 369.849 2.821 20 5 FFBDRO C[C@H]1C[C@@H](N(C)C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)CC[N@@H+]1C ZINC000294934740 511226628 /nfs/dbraw/zinc/22/66/28/511226628.db2.gz LEVDQBITTNXWDI-WFASDCNBSA-N 1 0 357.414 2.540 20 5 FFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1COC2(CCCC2)O1 ZINC000271643742 511273946 /nfs/dbraw/zinc/27/39/46/511273946.db2.gz FACPQBKZWXCBRK-CZUORRHYSA-N 1 0 363.414 2.587 20 5 FFBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccccc1OC(F)F ZINC000271769458 511317157 /nfs/dbraw/zinc/31/71/57/511317157.db2.gz NPEQXAMRTUIYAR-LLVKDONJSA-N 1 0 353.325 2.709 20 5 FFBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@](CO)(c2ccccc2)C1 ZINC000291762547 511327667 /nfs/dbraw/zinc/32/76/67/511327667.db2.gz LGPMXEOESRVMEP-YWZLYKJASA-N 1 0 369.421 2.558 20 5 FFBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000363097936 511352294 /nfs/dbraw/zinc/35/22/94/511352294.db2.gz RUKYGYOJSYWCCH-CVEARBPZSA-N 1 0 358.442 2.552 20 5 FFBDRO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000363099619 511352439 /nfs/dbraw/zinc/35/24/39/511352439.db2.gz WUANTXJMKLOOLW-MNOVXSKESA-N 1 0 370.356 2.945 20 5 FFBDRO O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCC2(CC[NH2+]2)CC1 ZINC000333829195 511367022 /nfs/dbraw/zinc/36/70/22/511367022.db2.gz MFMKBABGTLNVIQ-UHFFFAOYSA-N 1 0 361.445 2.509 20 5 FFBDRO CC(=O)c1cc(NCc2cccnc2N2CCOCC2)ccc1[N+](=O)[O-] ZINC000283488996 511386765 /nfs/dbraw/zinc/38/67/65/511386765.db2.gz HSHNLLYLDAPFFQ-UHFFFAOYSA-N 1 0 356.382 2.641 20 5 FFBDRO CC1(C)CN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@H]1c1cccnc1 ZINC000291945526 511401431 /nfs/dbraw/zinc/40/14/31/511401431.db2.gz PYUVLBSXAIHDND-WMZOPIPTSA-N 1 0 357.410 2.813 20 5 FFBDRO C[C@H]1CN(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CC[N@@H+](C2CC2)C1 ZINC000295450090 511409125 /nfs/dbraw/zinc/40/91/25/511409125.db2.gz WNTXISWLMADCQG-CQSZACIVSA-N 1 0 359.426 2.500 20 5 FFBDRO O=C(NC1CC([NH+]2CCCCC2)C1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000365419842 511440151 /nfs/dbraw/zinc/44/01/51/511440151.db2.gz FZYWYMQDMLHOIN-UHFFFAOYSA-N 1 0 369.425 2.527 20 5 FFBDRO C[NH+]1CCC(CCNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000280401223 511452317 /nfs/dbraw/zinc/45/23/17/511452317.db2.gz GMPILPKYJLWYSB-UHFFFAOYSA-N 1 0 357.813 2.778 20 5 FFBDRO C[C@@H]1CN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC[N@@H+](C2CCC2)C1 ZINC000292077880 511457193 /nfs/dbraw/zinc/45/71/93/511457193.db2.gz DBMJHAIKDLJJRG-CQSZACIVSA-N 1 0 371.441 2.951 20 5 FFBDRO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000365490753 511483425 /nfs/dbraw/zinc/48/34/25/511483425.db2.gz XWTSSCWBIKPRSU-LBPRGKRZSA-N 1 0 370.356 2.898 20 5 FFBDRO CNC(=O)[C@]1(C)CC[N@H+](Cc2cc(=O)oc3ccc4ccccc4c23)C1 ZINC000280484333 511483645 /nfs/dbraw/zinc/48/36/45/511483645.db2.gz AHGBHRQFCMRISP-OAQYLSRUSA-N 1 0 350.418 2.904 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000272260127 511483934 /nfs/dbraw/zinc/48/39/34/511483934.db2.gz UYIVZEXPWSBZCG-IUODEOHRSA-N 1 0 355.385 2.875 20 5 FFBDRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cc2ccccc2c2cccnc12 ZINC000363377099 511512782 /nfs/dbraw/zinc/51/27/82/511512782.db2.gz WRKNZRAVCLNKJA-IAGOWNOFSA-N 1 0 361.445 2.981 20 5 FFBDRO O=[N+]([O-])c1ccc(CN2CCC[C@H](c3nncn3C3CC3)C2)c([N+](=O)[O-])c1 ZINC000284081448 511598681 /nfs/dbraw/zinc/59/86/81/511598681.db2.gz LKQLUVHHUFKSFR-ZDUSSCGKSA-N 1 0 372.385 2.809 20 5 FFBDRO C[C@H](C(=O)N(C)C1CCCCC1)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365820627 511668576 /nfs/dbraw/zinc/66/85/76/511668576.db2.gz NZZVBMQDRUWHEB-CQSZACIVSA-N 1 0 363.462 2.608 20 5 FFBDRO C[C@@H](C(=O)N(C)C1CCCCC1)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365820626 511668800 /nfs/dbraw/zinc/66/88/00/511668800.db2.gz NZZVBMQDRUWHEB-AWEZNQCLSA-N 1 0 363.462 2.608 20 5 FFBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])C1 ZINC000281031101 511696289 /nfs/dbraw/zinc/69/62/89/511696289.db2.gz VFDINUSLLXZBJL-OAHLLOKOSA-N 1 0 354.410 2.823 20 5 FFBDRO O=[N+]([O-])c1cnc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)nc1 ZINC000274044783 511703619 /nfs/dbraw/zinc/70/36/19/511703619.db2.gz YDLIHYLRKMPFIM-FUHWJXTLSA-N 1 0 353.426 2.876 20 5 FFBDRO CS(=O)(=O)C[C@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000292839336 511740478 /nfs/dbraw/zinc/74/04/78/511740478.db2.gz SBOFEZKJLWGODX-ZDUSSCGKSA-N 1 0 364.423 2.721 20 5 FFBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C1 ZINC000296450741 511747756 /nfs/dbraw/zinc/74/77/56/511747756.db2.gz IQIPVKGUXWYONM-KSSFIOAISA-N 1 0 369.425 2.541 20 5 FFBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C1 ZINC000296450747 511748365 /nfs/dbraw/zinc/74/83/65/511748365.db2.gz IQIPVKGUXWYONM-RDTXWAMCSA-N 1 0 369.425 2.541 20 5 FFBDRO Cc1ccnc(C2CC[NH+](CCC(=O)Nc3ccccc3[N+](=O)[O-])CC2)n1 ZINC000363796324 511773520 /nfs/dbraw/zinc/77/35/20/511773520.db2.gz BEWBVUNUXQGERP-UHFFFAOYSA-N 1 0 369.425 2.901 20 5 FFBDRO CC(C)[C@]1(CO)CCC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000292980137 511794728 /nfs/dbraw/zinc/79/47/28/511794728.db2.gz HGUAIDSQIRRRBH-GOSISDBHSA-N 1 0 350.415 2.692 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[N@@H+](C2CC2)C[C@H](C)C1 ZINC000296687040 511853773 /nfs/dbraw/zinc/85/37/73/511853773.db2.gz JEGHRDQJNZEDBB-CQSZACIVSA-N 1 0 360.458 2.648 20 5 FFBDRO C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cn2)[C@H]1c1cccs1 ZINC000366141308 511863284 /nfs/dbraw/zinc/86/32/84/511863284.db2.gz BHVPSNVEHBNFQX-LRDDRELGSA-N 1 0 360.439 2.864 20 5 FFBDRO Cc1cc(N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)ncc1[N+](=O)[O-] ZINC000284802877 511876397 /nfs/dbraw/zinc/87/63/97/511876397.db2.gz IENLURBIYHSSJU-KBXCAEBGSA-N 1 0 358.446 2.551 20 5 FFBDRO Cc1n[nH]c(C(=O)N[C@H](C[N@H+](C)Cc2ccccc2)C(C)C)c1[N+](=O)[O-] ZINC000274580738 511879246 /nfs/dbraw/zinc/87/92/46/511879246.db2.gz SGIOJASEKYRLAE-OAHLLOKOSA-N 1 0 359.430 2.513 20 5 FFBDRO CN(CCC[NH+]1CCCC1)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000281645978 511919565 /nfs/dbraw/zinc/91/95/65/511919565.db2.gz HSRHUNMEDYMMND-UHFFFAOYSA-N 1 0 351.422 2.956 20 5 FFBDRO O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000293350213 511934261 /nfs/dbraw/zinc/93/42/61/511934261.db2.gz JXXUHGVKPOIDPL-TZMCWYRMSA-N 1 0 358.423 2.542 20 5 FFBDRO CCC(=O)c1ccc(N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000366430489 512020248 /nfs/dbraw/zinc/02/02/48/512020248.db2.gz NMSOXBARGMXMJL-NVXWUHKLSA-N 1 0 374.485 2.650 20 5 FFBDRO C[C@H]([NH2+][C@H](CN1CCOCC1)c1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293617663 512028533 /nfs/dbraw/zinc/02/85/33/512028533.db2.gz GYRPGTMXNMVDCM-HNAYVOBHSA-N 1 0 370.453 2.901 20 5 FFBDRO C[C@H]([NH2+][C@H](Cc1ccccc1)C(=O)N(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293666102 512045501 /nfs/dbraw/zinc/04/55/01/512045501.db2.gz JMEOTQBHRWMZLT-SUMWQHHRSA-N 1 0 356.426 2.527 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000285236972 512047674 /nfs/dbraw/zinc/04/76/74/512047674.db2.gz PLFJXRYHJBFMGK-GFCCVEGCSA-N 1 0 365.430 2.948 20 5 FFBDRO COC(=O)Cc1ccc(N2CC[C@@H](C[NH+]3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000297202283 512059955 /nfs/dbraw/zinc/05/99/55/512059955.db2.gz RLVRPNXWGBYGJV-INIZCTEOSA-N 1 0 361.442 2.623 20 5 FFBDRO C[C@@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C1=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285281476 512063729 /nfs/dbraw/zinc/06/37/29/512063729.db2.gz RGZUUYUOGNSINE-CXAGYDPISA-N 1 0 354.410 2.629 20 5 FFBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)C2)C1 ZINC000366533838 512076335 /nfs/dbraw/zinc/07/63/35/512076335.db2.gz UNWNSBJODNRAGI-SFHVURJKSA-N 1 0 372.450 2.886 20 5 FFBDRO O=C(C[NH2+][C@@H](c1ccccc1)[C@@H]1CCOC1)Nc1ccccc1[N+](=O)[O-] ZINC000371556541 512463973 /nfs/dbraw/zinc/46/39/73/512463973.db2.gz ZFDUCLOBYZYLCX-BEFAXECRSA-N 1 0 355.394 2.901 20 5 FFBDRO COc1cc2c(c(C[NH+]3CCC(n4ccc([N+](=O)[O-])n4)CC3)c1)O[C@@H](C)C2 ZINC000369555880 512476297 /nfs/dbraw/zinc/47/62/97/512476297.db2.gz HNQPVAGYGOKUQK-ZDUSSCGKSA-N 1 0 372.425 2.960 20 5 FFBDRO CO[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000367624975 512589313 /nfs/dbraw/zinc/58/93/13/512589313.db2.gz KACNZGQOCLGUFN-YTQUADARSA-N 1 0 371.437 2.697 20 5 FFBDRO O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000369768932 512599539 /nfs/dbraw/zinc/59/95/39/512599539.db2.gz YOFGZWLECGFTMD-YJBOKZPZSA-N 1 0 372.469 2.799 20 5 FFBDRO C[C@@H]1CN(C[C@H]2CCC[N@@H+]2CCOc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000374028061 512630343 /nfs/dbraw/zinc/63/03/43/512630343.db2.gz VYVMGPPATCRFJP-IXDOHACOSA-N 1 0 363.458 2.547 20 5 FFBDRO Cc1ccc([C@@H](C)[NH2+]CCC(=O)Nc2ccc(C(N)=O)cc2)cc1[N+](=O)[O-] ZINC000411476804 512654428 /nfs/dbraw/zinc/65/44/28/512654428.db2.gz QMQFDNCNYJQHFT-CYBMUJFWSA-N 1 0 370.409 2.682 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+]1CCC(c2ccccn2)CC1 ZINC000367834396 512682162 /nfs/dbraw/zinc/68/21/62/512682162.db2.gz WUMGVWDVRVMFFD-INIZCTEOSA-N 1 0 357.410 2.609 20 5 FFBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000367845093 512686839 /nfs/dbraw/zinc/68/68/39/512686839.db2.gz ZXYDEXHBLYKKKS-WCQYABFASA-N 1 0 369.368 2.895 20 5 FFBDRO C[C@@H]([NH2+][C@H]1CCN(c2ccccc2C(N)=O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000370167936 512799844 /nfs/dbraw/zinc/79/98/44/512799844.db2.gz WZDFWORPOJLTKL-HIFRSBDPSA-N 1 0 354.410 2.623 20 5 FFBDRO O=[N+]([O-])c1ccc2[nH]c(=NC3CC[NH+](Cc4ccccc4)CC3)[nH]c2c1 ZINC000386716515 512890202 /nfs/dbraw/zinc/89/02/02/512890202.db2.gz LRCXQJBFPDMJNN-UHFFFAOYSA-N 1 0 351.410 2.970 20 5 FFBDRO C[C@@H]1CN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000411981814 512900801 /nfs/dbraw/zinc/90/08/01/512900801.db2.gz JDDKRISUDJXDSQ-MRXNPFEDSA-N 1 0 368.437 2.740 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2Cc1ccc([N+](=O)[O-])cc1Cl ZINC000374695357 512959603 /nfs/dbraw/zinc/95/96/03/512959603.db2.gz FKVAHQZXROFEJP-COXVUDFISA-N 1 0 353.850 2.932 20 5 FFBDRO Cc1cc(C(=O)N2C[C@H](C[NH+](C)C)Oc3ccccc32)cc([N+](=O)[O-])c1 ZINC000370502672 512966948 /nfs/dbraw/zinc/96/69/48/512966948.db2.gz IJEQKAIUYDTRFK-INIZCTEOSA-N 1 0 355.394 2.873 20 5 FFBDRO C[C@@H](CNC(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1)[NH+](C)C ZINC000412381951 513059807 /nfs/dbraw/zinc/05/98/07/513059807.db2.gz AXWRYJNSGIOINR-KKUMJFAQSA-N 1 0 362.474 2.757 20 5 FFBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H](Cc3ccncc3)C2)c2c(c1)COCO2 ZINC000370719308 513069125 /nfs/dbraw/zinc/06/91/25/513069125.db2.gz KIMHEIPBLVKPSB-OAHLLOKOSA-N 1 0 355.394 2.921 20 5 FFBDRO O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000370827327 513114536 /nfs/dbraw/zinc/11/45/36/513114536.db2.gz RXEMTLIWGAXAMB-CYBMUJFWSA-N 1 0 357.332 2.924 20 5 FFBDRO Cc1noc(C)c1CO[C@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000368848224 513121003 /nfs/dbraw/zinc/12/10/03/513121003.db2.gz VBGHIJQQJDMJDQ-KRWDZBQOSA-N 1 0 361.398 2.870 20 5 FFBDRO CC[NH2+]CC1CCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000417717350 513179568 /nfs/dbraw/zinc/17/95/68/513179568.db2.gz KGSKFHPMNXGKBB-UHFFFAOYSA-N 1 0 362.474 2.949 20 5 FFBDRO CCCN1C[C@@H](C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1=O ZINC000421355041 513233029 /nfs/dbraw/zinc/23/30/29/513233029.db2.gz TUEZGCWATMAHTQ-LLVKDONJSA-N 1 0 357.357 2.544 20 5 FFBDRO C[N@@H+]1CCCC12CCN(C(=O)c1cc(-c3ccc([N+](=O)[O-])cc3)n[nH]1)CC2 ZINC000450579934 513259976 /nfs/dbraw/zinc/25/99/76/513259976.db2.gz MUUMLEADPFCEIB-UHFFFAOYSA-N 1 0 369.425 2.685 20 5 FFBDRO COc1ccc(NC(=O)NC[C@@H]2[NH2+]CCc3ccccc32)cc1[N+](=O)[O-] ZINC000415436944 513260824 /nfs/dbraw/zinc/26/08/24/513260824.db2.gz JZJOPKIOGSSMKA-HNNXBMFYSA-N 1 0 356.382 2.612 20 5 FFBDRO [NH3+]CC[C@H](NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)C(F)F ZINC000415453736 513267858 /nfs/dbraw/zinc/26/78/58/513267858.db2.gz ZIUZPNUFXCGHHD-QMMMGPOBSA-N 1 0 356.251 2.718 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N3CC[C@H]([NH3+])[C@@H](C)C3)cc2[N+](=O)[O-])C1 ZINC000429151761 513292493 /nfs/dbraw/zinc/29/24/93/513292493.db2.gz UDIUNHCPDWCYEL-YCPHGPKFSA-N 1 0 360.458 2.640 20 5 FFBDRO [NH3+]CCCN(Cc1ccccc1)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000417954176 513303651 /nfs/dbraw/zinc/30/36/51/513303651.db2.gz ZYRPKQLODUXILQ-UHFFFAOYSA-N 1 0 356.426 2.698 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000446662854 513309471 /nfs/dbraw/zinc/30/94/71/513309471.db2.gz XQYYUSGQQYVFHW-UHFFFAOYSA-N 1 0 370.409 2.850 20 5 FFBDRO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000434424051 513319831 /nfs/dbraw/zinc/31/98/31/513319831.db2.gz HLZVUZVVBVCJAP-KRWDZBQOSA-N 1 0 369.425 2.527 20 5 FFBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1CCC2(C1)CC[NH2+]CC2 ZINC000417989410 513320569 /nfs/dbraw/zinc/32/05/69/513320569.db2.gz KYVGJMSXNGWHPV-UHFFFAOYSA-N 1 0 366.849 2.576 20 5 FFBDRO CCOC(=O)C1CCC(O)(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000429331922 513343378 /nfs/dbraw/zinc/34/33/78/513343378.db2.gz ILYWPZYQGQHTCI-VNSJNIRKSA-N 1 0 350.415 2.730 20 5 FFBDRO Cc1c(NC(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC000415651815 513363094 /nfs/dbraw/zinc/36/30/94/513363094.db2.gz KSYSGXXFWRNLAJ-GZMMTYOYSA-N 1 0 371.235 2.785 20 5 FFBDRO Cc1c(NC(=O)N2C[C@H](C[NH3+])C[C@@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC000415657311 513366473 /nfs/dbraw/zinc/36/64/73/513366473.db2.gz METXAYBVIOBWQK-WPRPVWTQSA-N 1 0 371.235 2.867 20 5 FFBDRO [NH3+][C@H]1CCC[C@@H](CNC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000418087749 513367917 /nfs/dbraw/zinc/36/79/17/513367917.db2.gz IASNUWMUBKWOAQ-MFKMUULPSA-N 1 0 374.363 2.930 20 5 FFBDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000418092520 513369306 /nfs/dbraw/zinc/36/93/06/513369306.db2.gz RMJJHEXDKHGVPL-BXKDBHETSA-N 1 0 360.336 2.540 20 5 FFBDRO O=C(NCCC[C@@H]1CCC[NH2+]1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000418098394 513370931 /nfs/dbraw/zinc/37/09/31/513370931.db2.gz ZSVCDBOGOCZXTA-ZDUSSCGKSA-N 1 0 374.363 2.945 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000450864450 513372630 /nfs/dbraw/zinc/37/26/30/513372630.db2.gz QZKSDYJZGKSZCO-MORSLUCNSA-N 1 0 359.426 2.779 20 5 FFBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000421708039 513379013 /nfs/dbraw/zinc/37/90/13/513379013.db2.gz YXVUESBTUSIATG-LLVKDONJSA-N 1 0 356.220 2.524 20 5 FFBDRO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000415687125 513380975 /nfs/dbraw/zinc/38/09/75/513380975.db2.gz ATLZNGWLGUAQRI-RNCFNFMXSA-N 1 0 369.219 2.573 20 5 FFBDRO O=[N+]([O-])c1ccc(CN2CCOCC2)cc1NC1CC[NH+](C2CCC2)CC1 ZINC000450883993 513382837 /nfs/dbraw/zinc/38/28/37/513382837.db2.gz YONYZWHOORQBFW-UHFFFAOYSA-N 1 0 374.485 2.856 20 5 FFBDRO COC[C@]1(CNC(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000415699775 513388407 /nfs/dbraw/zinc/38/84/07/513388407.db2.gz KGMIIIBZAWNYST-GOSISDBHSA-N 1 0 364.446 2.782 20 5 FFBDRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000415704105 513389469 /nfs/dbraw/zinc/38/94/69/513389469.db2.gz RMQYTWZWVNXYHP-MWLCHTKSSA-N 1 0 371.235 2.996 20 5 FFBDRO CC(C)C[N@@H+]1CCO[C@H](CNc2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000413029549 513393698 /nfs/dbraw/zinc/39/36/98/513393698.db2.gz GIAUFYSXLSXLJO-GFCCVEGCSA-N 1 0 362.352 2.777 20 5 FFBDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)[C@@H]2C1 ZINC000425058699 513393869 /nfs/dbraw/zinc/39/38/69/513393869.db2.gz PDJJHWRUPDOOBP-IINYFYTJSA-N 1 0 357.332 2.780 20 5 FFBDRO Cc1ccc(C)c(S(=O)(=O)NCc2ccc([C@H](C)[NH3+])cc2)c1[N+](=O)[O-] ZINC000440730294 513393866 /nfs/dbraw/zinc/39/38/66/513393866.db2.gz ATXYLRBXZXWLEF-ZDUSSCGKSA-N 1 0 363.439 2.710 20 5 FFBDRO C[C@H](NC(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2)c1ccc([N+](=O)[O-])cc1 ZINC000415959267 513500069 /nfs/dbraw/zinc/50/00/69/513500069.db2.gz MPKSVMXGHKUEAZ-FZMZJTMJSA-N 1 0 355.398 2.689 20 5 FFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCOc2ncccc2Cl)n1 ZINC000447584602 513513719 /nfs/dbraw/zinc/51/37/19/513513719.db2.gz GPVYXEXVQZDLRS-KBPBESRZSA-N 1 0 365.821 2.992 20 5 FFBDRO CCc1nn(C)c(CC)c1C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447587709 513515849 /nfs/dbraw/zinc/51/58/49/513515849.db2.gz RXXWRDAUWAQTDH-WBVHZDCISA-N 1 0 360.462 2.923 20 5 FFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCOc2ccc(Cl)cn2)n1 ZINC000447589592 513517678 /nfs/dbraw/zinc/51/76/78/513517678.db2.gz YLCDAXXNZWXFLP-KGLIPLIRSA-N 1 0 365.821 2.992 20 5 FFBDRO C[NH2+]Cc1ccc(NC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000416010365 513535728 /nfs/dbraw/zinc/53/57/28/513535728.db2.gz ODRAUXURCMSUIJ-UHFFFAOYSA-N 1 0 356.382 2.609 20 5 FFBDRO CC1(CNC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CC[NH2+]CC1 ZINC000418511506 513540523 /nfs/dbraw/zinc/54/05/23/513540523.db2.gz CTDHVLAEXVHHNB-INIZCTEOSA-N 1 0 360.458 2.874 20 5 FFBDRO [NH3+][C@H]1CCN(Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000435381171 513570636 /nfs/dbraw/zinc/57/06/36/513570636.db2.gz RZXCFTWIBCKUGH-KRWDZBQOSA-N 1 0 363.421 2.981 20 5 FFBDRO CN(c1ccccc1)c1ccc(CN2CCO[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000435385663 513571574 /nfs/dbraw/zinc/57/15/74/513571574.db2.gz RAPJRVSQOURXTF-KRWDZBQOSA-N 1 0 356.426 2.522 20 5 FFBDRO CCn1ccnc1CN(Cc1cccc([N+](=O)[O-])c1)[C@H]1CC12CC[NH2+]CC2 ZINC000435428139 513580693 /nfs/dbraw/zinc/58/06/93/513580693.db2.gz QQUOKMTYFMUUAI-SFHVURJKSA-N 1 0 369.469 2.956 20 5 FFBDRO Cc1ccc(CN(Cc2nccn2C)[C@@H]2CC23CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000435431767 513583730 /nfs/dbraw/zinc/58/37/30/513583730.db2.gz FTNPNHAGNZPXPP-GOSISDBHSA-N 1 0 369.469 2.781 20 5 FFBDRO COCC[C@@]1([NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])CCOC1 ZINC000425477340 513588018 /nfs/dbraw/zinc/58/80/18/513588018.db2.gz MIZIBWOWBDCXTK-CQSZACIVSA-N 1 0 359.220 2.643 20 5 FFBDRO C[NH+](C)[C@@H](CC(=O)N1CCc2ncc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000416187829 513632359 /nfs/dbraw/zinc/63/23/59/513632359.db2.gz GYJUBUSJAYEXEJ-SFHVURJKSA-N 1 0 354.410 2.568 20 5 FFBDRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000418741456 513632633 /nfs/dbraw/zinc/63/26/33/513632633.db2.gz PZJVSSFLBXPTAS-GYABFAJESA-N 1 0 358.442 2.785 20 5 FFBDRO O=[N+]([O-])c1ccc(CN2CCOCC2)cc1NCc1ccc2c[nH+]cn2c1 ZINC000413402963 513638513 /nfs/dbraw/zinc/63/85/13/513638513.db2.gz KEEMGOQKBDMWQW-UHFFFAOYSA-N 1 0 367.409 2.687 20 5 FFBDRO CN(C(=O)C[N@@H+]1CC2(CCC2)[C@@H]1C1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000425558451 513639527 /nfs/dbraw/zinc/63/95/27/513639527.db2.gz XQPKCVCLJFOORZ-IBGZPJMESA-N 1 0 373.453 2.839 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)cc1 ZINC000435629702 513643900 /nfs/dbraw/zinc/64/39/00/513643900.db2.gz USVMVVUQPHTKMQ-MRXNPFEDSA-N 1 0 367.471 2.670 20 5 FFBDRO COc1ccc(CNC(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)cc1[N+](=O)[O-] ZINC000447982648 513646829 /nfs/dbraw/zinc/64/68/29/513646829.db2.gz MFBVENCTYWPXNS-MRXNPFEDSA-N 1 0 364.446 2.523 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC([NH2+]CC2CC2)CC1 ZINC000430583974 513696895 /nfs/dbraw/zinc/69/68/95/513696895.db2.gz NTQUXZNHHNQRMA-UHFFFAOYSA-N 1 0 360.458 2.696 20 5 FFBDRO Cn1cc(C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000430693759 513725061 /nfs/dbraw/zinc/72/50/61/513725061.db2.gz BWFDYCFXJBSWCG-INIZCTEOSA-N 1 0 371.441 2.503 20 5 FFBDRO C[N@@H+]1CC[C@@H](CNC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000436070264 513752106 /nfs/dbraw/zinc/75/21/06/513752106.db2.gz VLVQYPKVCIBUJH-NSHDSACASA-N 1 0 371.387 2.641 20 5 FFBDRO CCOc1ccc(NC(=O)C[NH2+][C@H]2C[C@](C)(OC)C2(C)C)c([N+](=O)[O-])c1 ZINC000451484804 513779478 /nfs/dbraw/zinc/77/94/78/513779478.db2.gz HRPIUQAQLQYNEJ-YJBOKZPZSA-N 1 0 365.430 2.725 20 5 FFBDRO COc1ccc(NC(=O)CC[NH2+][C@H]2C[C@@](C)(OC)C2(C)C)c([N+](=O)[O-])c1 ZINC000451486974 513780958 /nfs/dbraw/zinc/78/09/58/513780958.db2.gz KMPDXOCMDNTCKP-MAUKXSAKSA-N 1 0 365.430 2.725 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1C[C@H](OC(C)C)C1(C)C ZINC000451489069 513783120 /nfs/dbraw/zinc/78/31/20/513783120.db2.gz BSAXARBALMMEPW-CVEARBPZSA-N 1 0 365.430 2.724 20 5 FFBDRO CCO[C@@H]1CC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C[C@@H]1C ZINC000451522737 513805171 /nfs/dbraw/zinc/80/51/71/513805171.db2.gz BRHLXPCNNKXSNP-XJKSGUPXSA-N 1 0 363.414 2.640 20 5 FFBDRO COc1cc(C)c(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1OC ZINC000425962505 513807778 /nfs/dbraw/zinc/80/77/78/513807778.db2.gz YMLZDGWUWZOLOM-UHFFFAOYSA-N 1 0 360.414 2.954 20 5 FFBDRO O=C(COc1cccc([N+](=O)[O-])c1)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000436255189 513807919 /nfs/dbraw/zinc/80/79/19/513807919.db2.gz WPXDTLLJZKRRAH-KRWDZBQOSA-N 1 0 361.442 2.887 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](C[C@@H]3CCCS(=O)(=O)C3)C2)cc1 ZINC000451551213 513828448 /nfs/dbraw/zinc/82/84/48/513828448.db2.gz TWGUDNAGOYWUIQ-GOEBONIOSA-N 1 0 352.456 2.599 20 5 FFBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000436337504 513832674 /nfs/dbraw/zinc/83/26/74/513832674.db2.gz FKJQFKANFNDZAI-ZDUSSCGKSA-N 1 0 367.424 2.987 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CC[C@@H](OC)C(C)(C)C1 ZINC000451566723 513837804 /nfs/dbraw/zinc/83/78/04/513837804.db2.gz OURZFUABTVMZFQ-MLGOLLRUSA-N 1 0 365.430 2.677 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CC[C@H](OC)C(C)(C)C1 ZINC000451566722 513837835 /nfs/dbraw/zinc/83/78/35/513837835.db2.gz OURZFUABTVMZFQ-LRDDRELGSA-N 1 0 365.430 2.677 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2nnc(C[NH2+][C@@H]([C@@H](CO)C3CC3)C3CC3)o2)cc1 ZINC000451587042 513848812 /nfs/dbraw/zinc/84/88/12/513848812.db2.gz HJYOIOPIABFWSO-DOTOQJQBSA-N 1 0 358.398 2.532 20 5 FFBDRO CC(C)[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])[C@@H](CO)C(C)C ZINC000451589454 513851645 /nfs/dbraw/zinc/85/16/45/513851645.db2.gz AODVHWNTLLJXMH-GRDNDAEWSA-N 1 0 351.447 2.801 20 5 FFBDRO CC(C)[C@@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)[C@@H](CO)C(C)C ZINC000451600773 513860206 /nfs/dbraw/zinc/86/02/06/513860206.db2.gz SQXRKPRTJKNONQ-RCCFBDPRSA-N 1 0 363.458 2.579 20 5 FFBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448780394 513896187 /nfs/dbraw/zinc/89/61/87/513896187.db2.gz JTEABVRVSHWLKH-LSDHHAIUSA-N 1 0 371.441 2.631 20 5 FFBDRO C[C@@H](O)[C@@H](CO)[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000419824133 513944569 /nfs/dbraw/zinc/94/45/69/513944569.db2.gz YYNRUMNNEAEJOK-IAQYHMDHSA-N 1 0 366.801 2.872 20 5 FFBDRO O=C(NCCC[NH2+]C1CCCCC1)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000419885288 513961202 /nfs/dbraw/zinc/96/12/02/513961202.db2.gz AUKJAXAWZRMRKL-UHFFFAOYSA-N 1 0 371.441 2.823 20 5 FFBDRO C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000431717971 513978149 /nfs/dbraw/zinc/97/81/49/513978149.db2.gz AYGHZFYFGMRCDJ-MRXNPFEDSA-N 1 0 360.458 2.508 20 5 FFBDRO O=C(CCC(=O)N1CCC(C[NH+]2CCCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000448975839 514003982 /nfs/dbraw/zinc/00/39/82/514003982.db2.gz QVZPBIAOIXJCQK-UHFFFAOYSA-N 1 0 373.453 2.892 20 5 FFBDRO COc1ccc([C@H](CO)C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000414202332 514009580 /nfs/dbraw/zinc/00/95/80/514009580.db2.gz YWXBJYCNZCTRMT-CGTJXYLNSA-N 1 0 374.441 2.649 20 5 FFBDRO CC[NH+](CC)C[C@@H](C)NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431928489 514043325 /nfs/dbraw/zinc/04/33/25/514043325.db2.gz VSNXGJUAOYFCCU-SNVBAGLBSA-N 1 0 358.236 2.817 20 5 FFBDRO CS(=O)(=O)CC1(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCC1 ZINC000414325697 514048307 /nfs/dbraw/zinc/04/83/07/514048307.db2.gz KXFHAERVSSDCLL-MRXNPFEDSA-N 1 0 366.483 2.720 20 5 FFBDRO Cc1c(NC(=O)[C@@H](C)N2CCC([C@H]3CCC[NH2+]3)CC2)cccc1[N+](=O)[O-] ZINC000420332138 514098053 /nfs/dbraw/zinc/09/80/53/514098053.db2.gz CRFFEQWPAVGUCE-RHSMWYFYSA-N 1 0 360.458 2.694 20 5 FFBDRO Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CC[NH2+][C@H](C)C2)c([N+](=O)[O-])c1 ZINC000420343029 514102948 /nfs/dbraw/zinc/10/29/48/514102948.db2.gz YGPKSRNQGSZGQN-DNVCBOLYSA-N 1 0 368.437 2.877 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)Cn1ncc2ccccc2c1=O ZINC000449216101 514116909 /nfs/dbraw/zinc/11/69/09/514116909.db2.gz PVWDHTBPJFPGFR-HUUCEWRRSA-N 1 0 366.421 2.914 20 5 FFBDRO C[C@H](Cn1ncc2ccccc2c1=O)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449216102 514117169 /nfs/dbraw/zinc/11/71/69/514117169.db2.gz PVWDHTBPJFPGFR-LSDHHAIUSA-N 1 0 366.421 2.914 20 5 FFBDRO CCn1cc([N+](=O)[O-])c(C(=O)NCc2ccccc2C[NH+]2CCCCC2)n1 ZINC000427124645 514124392 /nfs/dbraw/zinc/12/43/92/514124392.db2.gz UKMHBMPUPWWGAC-UHFFFAOYSA-N 1 0 371.441 2.727 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](Cc1ccc(F)cc1)C(N)=O ZINC000449250719 514129625 /nfs/dbraw/zinc/12/96/25/514129625.db2.gz MMLLTTABGUISID-CJNGLKHVSA-N 1 0 359.401 2.599 20 5 FFBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2c(C(N)=O)cccc2[N+](=O)[O-])C1 ZINC000420581459 514190370 /nfs/dbraw/zinc/19/03/70/514190370.db2.gz GZLHVIRLYSEKAS-ZFWWWQNUSA-N 1 0 354.410 2.941 20 5 FFBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC([NH2+]CCOc2ccccc2)CC1 ZINC000427374187 514196961 /nfs/dbraw/zinc/19/69/61/514196961.db2.gz HICXGVHQTBEXIZ-UHFFFAOYSA-N 1 0 356.426 2.936 20 5 FFBDRO CN(c1c(C(N)=O)cccc1[N+](=O)[O-])[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000420606905 514198290 /nfs/dbraw/zinc/19/82/90/514198290.db2.gz YXXPRBSYWUMQIO-INIZCTEOSA-N 1 0 368.437 2.795 20 5 FFBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000452120839 514204923 /nfs/dbraw/zinc/20/49/23/514204923.db2.gz JNTUOKHUXPMVJV-DAYGRLMNSA-N 1 0 373.453 2.746 20 5 FFBDRO CO[C@H]1COCC[C@H]1C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000449452472 514215467 /nfs/dbraw/zinc/21/54/67/514215467.db2.gz GAQQBOIWGFJDKB-BBRMVZONSA-N 1 0 363.439 2.859 20 5 FFBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000417221318 514242860 /nfs/dbraw/zinc/24/28/60/514242860.db2.gz CWFIFUIWNOTYFL-WMZOPIPTSA-N 1 0 360.458 2.701 20 5 FFBDRO CO[C@@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C[C@H]1O ZINC000449570347 514257924 /nfs/dbraw/zinc/25/79/24/514257924.db2.gz HDEVKXZYGHFMQR-GDBMZVCRSA-N 1 0 352.774 2.700 20 5 FFBDRO O=[N+]([O-])c1ccc2[nH]c(CN3CC[NH+](CCc4cccs4)CC3)nc2c1 ZINC000444599699 514269475 /nfs/dbraw/zinc/26/94/75/514269475.db2.gz XGBZDJMUDJBGFL-UHFFFAOYSA-N 1 0 371.466 2.893 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000437950739 514274692 /nfs/dbraw/zinc/27/46/92/514274692.db2.gz VWIDPNWUALPCEP-KMFMINBZSA-N 1 0 373.409 2.665 20 5 FFBDRO CCOc1cc(NC(=O)N(C)CC(C)(C)C[NH3+])c([N+](=O)[O-])cc1OCC ZINC000414755645 514275586 /nfs/dbraw/zinc/27/55/86/514275586.db2.gz IBGJJAMGPSLTTK-UHFFFAOYSA-N 1 0 368.434 2.841 20 5 FFBDRO CC(C)[C@@H](C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[NH+]1CCCCC1 ZINC000444628032 514277913 /nfs/dbraw/zinc/27/79/13/514277913.db2.gz BYNQITCHXPAPHV-KRWDZBQOSA-N 1 0 359.430 2.598 20 5 FFBDRO [NH3+][C@H]1CCC[C@@H](CNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000449646417 514278968 /nfs/dbraw/zinc/27/89/68/514278968.db2.gz NTKVYNSBOZAEPU-YPMHNXCESA-N 1 0 360.439 2.966 20 5 FFBDRO O=C(CNc1ccccc1[N+](=O)[O-])Nc1ncc(C2CC[NH2+]CC2)s1 ZINC000423940315 514298009 /nfs/dbraw/zinc/29/80/09/514298009.db2.gz AERCGGQALBNNEB-UHFFFAOYSA-N 1 0 361.427 2.569 20 5 FFBDRO [NH3+]C[C@H](NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])C1CCCC1 ZINC000423961287 514309353 /nfs/dbraw/zinc/30/93/53/514309353.db2.gz NWAPEYUQLNWYPZ-ZDUSSCGKSA-N 1 0 355.822 2.651 20 5 FFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000423971017 514314491 /nfs/dbraw/zinc/31/44/91/514314491.db2.gz JWHZUBVOBRLSPO-XJKSGUPXSA-N 1 0 351.834 2.781 20 5 FFBDRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000423994612 514327400 /nfs/dbraw/zinc/32/74/00/514327400.db2.gz CHAZFXLEWHPMLJ-CZUORRHYSA-N 1 0 367.833 2.607 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N3CC[C@H](C)[C@@H](C[NH3+])C3)cc2[N+](=O)[O-])C1 ZINC000423997626 514328476 /nfs/dbraw/zinc/32/84/76/514328476.db2.gz ACHIDGRVBXDHLU-VYDXJSESSA-N 1 0 374.485 2.888 20 5 FFBDRO O=C(c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000449741838 514328357 /nfs/dbraw/zinc/32/83/57/514328357.db2.gz WJQSRBZVFDUCFQ-KDOFPFPSSA-N 1 0 352.394 2.772 20 5 FFBDRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000424003354 514333035 /nfs/dbraw/zinc/33/30/35/514333035.db2.gz PPTOZTNZPMIFGK-CVEARBPZSA-N 1 0 367.833 2.607 20 5 FFBDRO [NH3+][C@@H]1CCO[C@H](C2CCN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3)CC2)C1 ZINC000424010860 514337804 /nfs/dbraw/zinc/33/78/04/514337804.db2.gz LYFKRMHHAJSRAO-ZBFHGGJFSA-N 1 0 367.833 2.607 20 5 FFBDRO C[NH2+]CCCN(C)C(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000424011269 514338167 /nfs/dbraw/zinc/33/81/67/514338167.db2.gz MYAOLECOQDRIAQ-GASCZTMLSA-N 1 0 362.474 2.759 20 5 FFBDRO COc1ccc([C@@H]2CC[NH2+]C[C@H]2NCc2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000414884971 514341003 /nfs/dbraw/zinc/34/10/03/514341003.db2.gz OTHCGPRAXODBEB-ZWKOTPCHSA-N 1 0 371.437 2.847 20 5 FFBDRO CCc1ccc([C@H]([NH2+]C[C@@]2(O)CCO[C@@H]2C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000433014118 514351076 /nfs/dbraw/zinc/35/10/76/514351076.db2.gz QWMGUBCKMYQJMI-ZNOIYHFQSA-N 1 0 360.410 2.969 20 5 FFBDRO C[NH+](C)Cc1ccccc1C(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000427959993 514357882 /nfs/dbraw/zinc/35/78/82/514357882.db2.gz SOGGZOPGZVOQGH-UHFFFAOYSA-N 1 0 355.394 2.691 20 5 FFBDRO C[C@@H]1C[C@H](C)N(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000424054947 514360347 /nfs/dbraw/zinc/36/03/47/514360347.db2.gz ATZSBYQMUHDXGJ-AGIUHOORSA-N 1 0 369.849 2.849 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])cc2OC)C[C@@H]1C ZINC000444896553 514363314 /nfs/dbraw/zinc/36/33/14/514363314.db2.gz MMDNJTKMWZUHCW-QWHCGFSZSA-N 1 0 350.419 2.940 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000444909727 514366033 /nfs/dbraw/zinc/36/60/33/514366033.db2.gz ZIDPMVZZIGIGJF-BETUJISGSA-N 1 0 350.419 2.988 20 5 FFBDRO CC1CC[NH+](C[C@H](O)CN[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000433181200 514407621 /nfs/dbraw/zinc/40/76/21/514407621.db2.gz XGKJKDZNBQVWKG-VQIMIIECSA-N 1 0 361.486 3.000 20 5 FFBDRO CC(C)(C(=O)NCCC[NH2+]Cc1cccnc1)c1ccc([N+](=O)[O-])cc1 ZINC000428149984 514408717 /nfs/dbraw/zinc/40/87/17/514408717.db2.gz IIJOIRKNWNVTPB-UHFFFAOYSA-N 1 0 356.426 2.564 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C[C@@H]1C ZINC000449971136 514447556 /nfs/dbraw/zinc/44/75/56/514447556.db2.gz JSYSWFMKGGLGER-HOCLYGCPSA-N 1 0 371.441 2.725 20 5 FFBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000449990901 514456015 /nfs/dbraw/zinc/45/60/15/514456015.db2.gz KNBLULBSTJSHGI-OAHLLOKOSA-N 1 0 371.441 2.584 20 5 FFBDRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000450019509 514468217 /nfs/dbraw/zinc/46/82/17/514468217.db2.gz UXMYBHBYWSOYLN-MRXNPFEDSA-N 1 0 373.453 2.748 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCC2([NH+](C)C)CCCCCC2)n1 ZINC000439103163 514493713 /nfs/dbraw/zinc/49/37/13/514493713.db2.gz STUKBQZUPCBSBF-UHFFFAOYSA-N 1 0 350.419 2.843 20 5 FFBDRO CC(C)[NH+]1CCC(N2CCN(c3ccc(F)cc3[N+](=O)[O-])CC2)CC1 ZINC000433525495 514508976 /nfs/dbraw/zinc/50/89/76/514508976.db2.gz OZOQGFUJBWPUTE-UHFFFAOYSA-N 1 0 350.438 2.729 20 5 FFBDRO O=[N+]([O-])c1cccc2c1ccnc2NC[C@@]1(N2CCOCC2)CCSC1 ZINC000450270040 514573069 /nfs/dbraw/zinc/57/30/69/514573069.db2.gz PWJRHEJKYSYACU-SFHVURJKSA-N 1 0 374.466 2.763 20 5 FFBDRO CCCN(CC[NH+](CC)CC)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000461369547 514583680 /nfs/dbraw/zinc/58/36/80/514583680.db2.gz DDIQCJIIAJTXMM-UHFFFAOYSA-N 1 0 362.474 2.538 20 5 FFBDRO C[NH+](C)CCOc1cc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)ccn1 ZINC000497691781 514598897 /nfs/dbraw/zinc/59/88/97/514598897.db2.gz JGOLODBMTMGMJI-UHFFFAOYSA-N 1 0 364.789 2.836 20 5 FFBDRO C[NH+](C)CC1(C(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)CCCCC1 ZINC000461413863 514606691 /nfs/dbraw/zinc/60/66/91/514606691.db2.gz PWZBVFIUSODQOC-UHFFFAOYSA-N 1 0 361.442 2.828 20 5 FFBDRO C[NH+](C)CCN(Cc1ccsc1)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000458198858 514621240 /nfs/dbraw/zinc/62/12/40/514621240.db2.gz HWZHQQWNWGKKCS-UHFFFAOYSA-N 1 0 363.439 2.626 20 5 FFBDRO C[N@@H+]1CCC[C@H](CCNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000458201326 514622622 /nfs/dbraw/zinc/62/26/22/514622622.db2.gz WOFKZVXTETUMOG-MRXNPFEDSA-N 1 0 374.485 2.659 20 5 FFBDRO CCCCN(C(=O)c1nn(C)cc1[N+](=O)[O-])C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000497868770 514666986 /nfs/dbraw/zinc/66/69/86/514666986.db2.gz NXEXPOWIVCALMM-UHFFFAOYSA-N 1 0 365.478 2.880 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC1(C[NH+](C)C)CCC1 ZINC000466575727 514696799 /nfs/dbraw/zinc/69/67/99/514696799.db2.gz KDOHPZIRFZGFMM-LLVKDONJSA-N 1 0 355.822 2.616 20 5 FFBDRO CS[C@@H]1CN(CCCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1[NH+]1CCCC1 ZINC000484633175 514720848 /nfs/dbraw/zinc/72/08/48/514720848.db2.gz CRPBGFCFONKGCN-ZWKOTPCHSA-N 1 0 365.499 2.875 20 5 FFBDRO CC[C@@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)[N@@H+]1CCc2ccccc2C1 ZINC000498038084 514733309 /nfs/dbraw/zinc/73/33/09/514733309.db2.gz JKNYNFLUWVKWQL-INIZCTEOSA-N 1 0 356.426 2.500 20 5 FFBDRO C[NH+](C)CCOC1CCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000484661767 514737939 /nfs/dbraw/zinc/73/79/39/514737939.db2.gz DTXHUUGVYKVKDE-UHFFFAOYSA-N 1 0 372.263 2.904 20 5 FFBDRO Cc1ccc([C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)N2CCOCC2)o1 ZINC000479918156 514775354 /nfs/dbraw/zinc/77/53/54/514775354.db2.gz CFKVJXKAPJREPL-KRWDZBQOSA-N 1 0 363.389 2.798 20 5 FFBDRO Cc1cc(N[C@@H](C)CN2CC[NH+](C)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461935083 514794794 /nfs/dbraw/zinc/79/47/94/514794794.db2.gz JERJGMQNQHCXHK-LBPRGKRZSA-N 1 0 360.380 2.970 20 5 FFBDRO Cc1cc(N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c(F)cc1[N+](=O)[O-] ZINC000461955354 514804241 /nfs/dbraw/zinc/80/42/41/514804241.db2.gz LMGMIMKMQCCPNC-OAHLLOKOSA-N 1 0 350.438 2.649 20 5 FFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000466923252 514829099 /nfs/dbraw/zinc/82/90/99/514829099.db2.gz JFNHNDHENWGVBG-RDTXWAMCSA-N 1 0 360.458 2.998 20 5 FFBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)NCCc2ccccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000489416113 514837234 /nfs/dbraw/zinc/83/72/34/514837234.db2.gz YYMHWPAUFUCVHA-DAYGRLMNSA-N 1 0 360.458 2.509 20 5 FFBDRO C[NH+](C)[C@]1(CNc2ncc([N+](=O)[O-])cc2Br)CCSC1 ZINC000485154081 514937712 /nfs/dbraw/zinc/93/77/12/514937712.db2.gz UCQOZOHUZRVVQS-LBPRGKRZSA-N 1 0 361.265 2.602 20 5 FFBDRO CNC(=O)[C@H](CCSC)[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000489855216 515000792 /nfs/dbraw/zinc/00/07/92/515000792.db2.gz GVSGLTOBBOIVAN-KBMXLJTQSA-N 1 0 365.499 2.763 20 5 FFBDRO [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000471778410 515008318 /nfs/dbraw/zinc/00/83/18/515008318.db2.gz DVSQQTZTZGYQRE-CRAIPNDOSA-N 1 0 356.426 2.735 20 5 FFBDRO CCc1n[nH]c(C(=O)N(CC[NH+](CC)CC)Cc2ccccc2)c1[N+](=O)[O-] ZINC000485370995 515011425 /nfs/dbraw/zinc/01/14/25/515011425.db2.gz GXIFBVACJFPFAA-UHFFFAOYSA-N 1 0 373.457 2.865 20 5 FFBDRO Cn1nc([N+](=O)[O-])cc1C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000476357818 515017800 /nfs/dbraw/zinc/01/78/00/515017800.db2.gz XCRLYBHCBFFVDK-UHFFFAOYSA-N 1 0 371.441 2.634 20 5 FFBDRO C[NH+](C)C1(CNc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CCOCC1 ZINC000485393971 515020671 /nfs/dbraw/zinc/02/06/71/515020671.db2.gz DWUFGGHVDDAWMU-UHFFFAOYSA-N 1 0 374.416 2.741 20 5 FFBDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000503473112 515045790 /nfs/dbraw/zinc/04/57/90/515045790.db2.gz VNWNNCDGJIZKFD-OAHLLOKOSA-N 1 0 372.425 2.755 20 5 FFBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000489977141 515055579 /nfs/dbraw/zinc/05/55/79/515055579.db2.gz DQZLDRMLMUXANS-VXGBXAGGSA-N 1 0 368.231 2.714 20 5 FFBDRO Cc1ccc(C)c(S(=O)(=O)NCC(C)(C)C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000480765152 515074755 /nfs/dbraw/zinc/07/47/55/515074755.db2.gz YXRPDWHVYUHLQI-UHFFFAOYSA-N 1 0 369.487 2.612 20 5 FFBDRO C[C@@H]1CN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC[N@H+](Cc2ccccc2)C1 ZINC000456332311 515100579 /nfs/dbraw/zinc/10/05/79/515100579.db2.gz KVARMUVWPGBEEP-HNNXBMFYSA-N 1 0 368.437 2.771 20 5 FFBDRO CC[C@H]1C[N@H+](CC)CCN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000456342148 515110589 /nfs/dbraw/zinc/11/05/89/515110589.db2.gz FPFCTTZAPVJYDX-AWEZNQCLSA-N 1 0 357.414 2.541 20 5 FFBDRO Cc1cc(S(=O)(=O)NCCC[NH+](C(C)C)C(C)C)ccc1[N+](=O)[O-] ZINC000467795012 515122516 /nfs/dbraw/zinc/12/25/16/515122516.db2.gz BTCWNMNNVHCXEX-UHFFFAOYSA-N 1 0 357.476 2.690 20 5 FFBDRO COc1c(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000476696909 515161902 /nfs/dbraw/zinc/16/19/02/515161902.db2.gz VVZAFWUDJXDZOG-YOEHRIQHSA-N 1 0 369.421 2.854 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N3CC[C@@]4(CC[NH2+]C4)C3)cc2[N+](=O)[O-])C1 ZINC000462644285 515167912 /nfs/dbraw/zinc/16/79/12/515167912.db2.gz WXNIHFWEIUAMKP-FOIQADDNSA-N 1 0 372.469 2.657 20 5 FFBDRO Cc1ccc(C)c(S(=O)(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000481039719 515184080 /nfs/dbraw/zinc/18/40/80/515184080.db2.gz OBDLGICHQJMMJN-HUUCEWRRSA-N 1 0 369.487 2.753 20 5 FFBDRO Cn1c(C(=O)NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000490512226 515234108 /nfs/dbraw/zinc/23/41/08/515234108.db2.gz CBJGNCRPOXSVNJ-LJQANCHMSA-N 1 0 356.426 2.718 20 5 FFBDRO CCOc1cc(C(=O)N2CC[NH+]([C@H](C)CC)CC2)c([N+](=O)[O-])cc1OC ZINC000456548131 515248664 /nfs/dbraw/zinc/24/86/64/515248664.db2.gz JVUAGRSOCHLQFD-CYBMUJFWSA-N 1 0 365.430 2.558 20 5 FFBDRO CNc1c(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000462913616 515296547 /nfs/dbraw/zinc/29/65/47/515296547.db2.gz VBOZCDZWZXZWBS-UHFFFAOYSA-N 1 0 368.437 2.815 20 5 FFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000490843996 515315744 /nfs/dbraw/zinc/31/57/44/515315744.db2.gz DHANQDBRAOHAGM-MRXNPFEDSA-N 1 0 369.512 2.874 20 5 FFBDRO C[C@@H]1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000463072975 515359551 /nfs/dbraw/zinc/35/95/51/515359551.db2.gz XRMWKVZCZJRTED-OAHLLOKOSA-N 1 0 368.437 2.795 20 5 FFBDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000472778001 515394346 /nfs/dbraw/zinc/39/43/46/515394346.db2.gz MAVZVVRPTWFVJC-OAHLLOKOSA-N 1 0 364.446 2.868 20 5 FFBDRO C[C@@]1(c2ccccc2)CCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000510089592 515430551 /nfs/dbraw/zinc/43/05/51/515430551.db2.gz WXABREHIBCKDLP-RTBURBONSA-N 1 0 358.442 2.596 20 5 FFBDRO Cn1c2ccccc2nc1CC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000510223441 515474754 /nfs/dbraw/zinc/47/47/54/515474754.db2.gz QBLJYDDPFYNWQJ-UHFFFAOYSA-N 1 0 365.437 2.846 20 5 FFBDRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)CN(C)c2ccccc2[N+](=O)[O-])C1 ZINC000463399835 515475914 /nfs/dbraw/zinc/47/59/14/515475914.db2.gz KRSAUSQSMKZURC-HOTGVXAUSA-N 1 0 362.474 2.515 20 5 FFBDRO CN(CC(=O)N(CC[NH+](C)C)Cc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000463535361 515536984 /nfs/dbraw/zinc/53/69/84/515536984.db2.gz ZRCBOOBVGZFZTP-UHFFFAOYSA-N 1 0 370.453 2.621 20 5 FFBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@@H](c2ccccc2C)[NH+](C)C)n1 ZINC000510552389 515583029 /nfs/dbraw/zinc/58/30/29/515583029.db2.gz QGQOCBZFYQATLN-GUYCJALGSA-N 1 0 359.430 2.541 20 5 FFBDRO CC[NH+]1CCC(NC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000454622284 515616945 /nfs/dbraw/zinc/61/69/45/515616945.db2.gz QYMWLLWOLAJZPQ-INIZCTEOSA-N 1 0 360.458 2.968 20 5 FFBDRO COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000493443510 515633199 /nfs/dbraw/zinc/63/31/99/515633199.db2.gz SONUSNUPBNTFTP-OLZOCXBDSA-N 1 0 369.849 2.611 20 5 FFBDRO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000477954138 515650566 /nfs/dbraw/zinc/65/05/66/515650566.db2.gz FCLHOVNFEONPLG-UHFFFAOYSA-N 1 0 358.442 2.775 20 5 FFBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)NCC[NH+]3CCCC3)cc2[N+](=O)[O-])C1 ZINC000500269551 515650991 /nfs/dbraw/zinc/65/09/91/515650991.db2.gz ZSNLNRSXTVVPDK-IYBDPMFKSA-N 1 0 374.485 2.903 20 5 FFBDRO COc1cc(C[NH2+][C@@H]2CCO[C@@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000493763608 515659698 /nfs/dbraw/zinc/65/96/98/515659698.db2.gz IJUXXWBMPHHFRF-CMPLNLGQSA-N 1 0 360.357 2.904 20 5 FFBDRO C[C@H](CNC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1)[NH+](C)C ZINC000500300493 515660043 /nfs/dbraw/zinc/66/00/43/515660043.db2.gz AXWRYJNSGIOINR-RBSFLKMASA-N 1 0 362.474 2.757 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)cc1SC ZINC000457127124 515670945 /nfs/dbraw/zinc/67/09/45/515670945.db2.gz REJLBPMKJKUWPQ-LBPRGKRZSA-N 1 0 367.471 2.880 20 5 FFBDRO C[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1nc2c(s1)CCC2 ZINC000459629534 515706479 /nfs/dbraw/zinc/70/64/79/515706479.db2.gz HAGPKQCTPYIKBE-RYUDHWBXSA-N 1 0 363.439 2.631 20 5 FFBDRO COc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)cc1[N+](=O)[O-] ZINC000494006103 515711459 /nfs/dbraw/zinc/71/14/59/515711459.db2.gz GEEPOXXILYVORV-WMLDXEAASA-N 1 0 369.421 2.996 20 5 FFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCCc2nn(C)cc21 ZINC000511004249 515741899 /nfs/dbraw/zinc/74/18/99/515741899.db2.gz YXJYLRBUFDCBPD-LRDDRELGSA-N 1 0 357.414 2.713 20 5 FFBDRO CCOC[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000459721952 515769929 /nfs/dbraw/zinc/76/99/29/515769929.db2.gz UJMMQAKRNKKMQM-HNNXBMFYSA-N 1 0 365.430 2.823 20 5 FFBDRO COc1ccccc1[C@H]1[C@@H]([NH3+])CCCN1C(=O)c1cc([N+](=O)[O-])cnc1C ZINC000457366911 515830678 /nfs/dbraw/zinc/83/06/78/515830678.db2.gz VGOVSQCMNNGZJQ-WMZOPIPTSA-N 1 0 370.409 2.611 20 5 FFBDRO CCN(CCC[NH+](CC)CC)S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000494408589 515835893 /nfs/dbraw/zinc/83/58/93/515835893.db2.gz XKUVKFVTQHYQLK-UHFFFAOYSA-N 1 0 371.503 2.954 20 5 FFBDRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000506479478 515892317 /nfs/dbraw/zinc/89/23/17/515892317.db2.gz XSKAZJISIMLFML-ZDUSSCGKSA-N 1 0 357.414 2.622 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000494669779 515918808 /nfs/dbraw/zinc/91/88/08/515918808.db2.gz CSIPEUQGRYEFIX-CQSZACIVSA-N 1 0 357.410 2.854 20 5 FFBDRO COc1c[nH+]ccc1N1CCN(c2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000487720654 515954148 /nfs/dbraw/zinc/95/41/48/515954148.db2.gz NNWAFXPVGDMVLT-UHFFFAOYSA-N 1 0 365.393 2.873 20 5 FFBDRO O=C(NCCC[NH+]1CCCC1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000457548616 515962241 /nfs/dbraw/zinc/96/22/41/515962241.db2.gz ZPGNIKBDYPLEBR-KRWDZBQOSA-N 1 0 360.458 2.970 20 5 FFBDRO C[NH+](C)C[C@@H]1CCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000501082434 515970814 /nfs/dbraw/zinc/97/08/14/515970814.db2.gz IGWFGRAKUCRMCK-JTQLQIEISA-N 1 0 371.235 2.773 20 5 FFBDRO CCc1ccccc1C[NH2+]Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000474376597 516018890 /nfs/dbraw/zinc/01/88/90/516018890.db2.gz WWMUGZWGEKPJGD-UHFFFAOYSA-N 1 0 358.394 2.999 20 5 FFBDRO COc1c(C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000474383519 516022756 /nfs/dbraw/zinc/02/27/56/516022756.db2.gz CRXYRPMIRGHFHI-INIZCTEOSA-N 1 0 361.373 2.775 20 5 FFBDRO C[NH+](C)Cc1cccc(NC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c1 ZINC000465027353 516046725 /nfs/dbraw/zinc/04/67/25/516046725.db2.gz CKDQWHPBVDAETM-UHFFFAOYSA-N 1 0 371.393 2.609 20 5 FFBDRO Cc1nn(Cc2ccc(C(=O)N[C@H](C)CCCC[NH3+])cc2)c(C)c1[N+](=O)[O-] ZINC000495121636 516072577 /nfs/dbraw/zinc/07/25/77/516072577.db2.gz WCFVKZUVTZGSQK-CYBMUJFWSA-N 1 0 373.457 2.704 20 5 FFBDRO C[C@H](CC[NH+](C)C)NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000495156591 516085125 /nfs/dbraw/zinc/08/51/25/516085125.db2.gz MYIJTMAEWWNRNP-SNVBAGLBSA-N 1 0 362.352 2.753 20 5 FFBDRO C[C@@H]1C[N@@H+](C2CCN(c3c4ccccc4ncc3[N+](=O)[O-])CC2)CCO1 ZINC000488063183 516101457 /nfs/dbraw/zinc/10/14/57/516101457.db2.gz JGZLOBBVGVJYFT-CQSZACIVSA-N 1 0 356.426 2.833 20 5 FFBDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000507277840 516151522 /nfs/dbraw/zinc/15/15/22/516151522.db2.gz JGGWYGGGFTXTCZ-ZIAGYGMSSA-N 1 0 369.487 2.630 20 5 FFBDRO CC(=Cc1cccc([N+](=O)[O-])c1)C[NH+]1CCC(N2CCCNC2=O)CC1 ZINC000470169516 516159012 /nfs/dbraw/zinc/15/90/12/516159012.db2.gz FXBFPCOYEUCKBG-QINSGFPZSA-N 1 0 358.442 2.878 20 5 FFBDRO COc1c(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000474779231 516191292 /nfs/dbraw/zinc/19/12/92/516191292.db2.gz FMJUDTFRAKUNSW-MRXNPFEDSA-N 1 0 369.421 2.998 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC(C)(C)CCC[NH+](C)C ZINC000457893489 516215281 /nfs/dbraw/zinc/21/52/81/516215281.db2.gz BAUPTQIMXCFGQH-UHFFFAOYSA-N 1 0 352.435 2.523 20 5 FFBDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000470359789 516218880 /nfs/dbraw/zinc/21/88/80/516218880.db2.gz UCXQFVGZYUKLJB-KRWDZBQOSA-N 1 0 362.474 2.947 20 5 FFBDRO C[C@H]1CCC[C@](CNC(=O)NCCc2ccccc2[N+](=O)[O-])([NH+](C)C)C1 ZINC000465703432 516233429 /nfs/dbraw/zinc/23/34/29/516233429.db2.gz ZDQAEYSEWQJAOT-KXBFYZLASA-N 1 0 362.474 2.947 20 5 FFBDRO CCn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cn1 ZINC000488483950 516236099 /nfs/dbraw/zinc/23/60/99/516236099.db2.gz IFRFMBJONUAMRO-CRFBAAHOSA-N 1 0 371.441 2.790 20 5 FFBDRO CCOC(=O)c1cc(N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000488741183 516297574 /nfs/dbraw/zinc/29/75/74/516297574.db2.gz BLZCGOZKVSEBHT-HBUWYVDXSA-N 1 0 361.442 2.938 20 5 FFBDRO CC[C@H]1C[C@H](C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)CCO1 ZINC000507808853 516305241 /nfs/dbraw/zinc/30/52/41/516305241.db2.gz WVOOXLZSGPRBEB-QAPCUYQASA-N 1 0 361.442 2.558 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]Cc2cccc3cccnc32)cc1 ZINC000543621387 516332556 /nfs/dbraw/zinc/33/25/56/516332556.db2.gz OUPCIKGUHAJFSD-UHFFFAOYSA-N 1 0 371.418 2.707 20 5 FFBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2cccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000561153617 516412272 /nfs/dbraw/zinc/41/22/72/516412272.db2.gz FPRUCWBJWZQGDK-UKRRQHHQSA-N 1 0 354.410 2.941 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](CO)c1ccccc1C ZINC000543837306 516449933 /nfs/dbraw/zinc/44/99/33/516449933.db2.gz YVWWGVIRYAYLEA-GOSISDBHSA-N 1 0 357.410 2.863 20 5 FFBDRO Cc1ccccc1[C@H](CO)[NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000543837983 516452660 /nfs/dbraw/zinc/45/26/60/516452660.db2.gz JYMONGRHRBOUCG-KRWDZBQOSA-N 1 0 357.410 2.863 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](c1cnn(C)c1)C(C)(C)C ZINC000540475367 516570961 /nfs/dbraw/zinc/57/09/61/516570961.db2.gz HBZRPQBTRBWCBB-KRWDZBQOSA-N 1 0 359.430 2.952 20 5 FFBDRO NC(=O)[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000544095304 516577363 /nfs/dbraw/zinc/57/73/63/516577363.db2.gz OMTQAFNPTPPWAE-OAHLLOKOSA-N 1 0 367.327 2.800 20 5 FFBDRO O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)c1ccc2c[nH+]cn2c1 ZINC000551194489 516600747 /nfs/dbraw/zinc/60/07/47/516600747.db2.gz HSYSTSLTDYHCPD-UHFFFAOYSA-N 1 0 354.322 2.656 20 5 FFBDRO COc1ccccc1C[C@H](C)[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000544147274 516614090 /nfs/dbraw/zinc/61/40/90/516614090.db2.gz YSRSHCDXRVZLEY-RDJZCZTQSA-N 1 0 374.437 2.906 20 5 FFBDRO C[N@H+](CCN1CCN(Cc2csc([N+](=O)[O-])c2)CC1)Cc1ccccc1 ZINC000513443733 516623887 /nfs/dbraw/zinc/62/38/87/516623887.db2.gz OUBLLVMQXJWTHK-UHFFFAOYSA-N 1 0 374.510 2.906 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCOC2(CCOCC2)C1 ZINC000561542100 516640635 /nfs/dbraw/zinc/64/06/35/516640635.db2.gz CSWZHXFGUBOTTJ-HNNXBMFYSA-N 1 0 350.415 2.811 20 5 FFBDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000536158457 516657411 /nfs/dbraw/zinc/65/74/11/516657411.db2.gz RLCYRHCETANAEJ-SFHVURJKSA-N 1 0 362.474 2.947 20 5 FFBDRO CC(C)C[C@@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])[NH2+][C@@H](C)c1ccccc1 ZINC000554857302 516667149 /nfs/dbraw/zinc/66/71/49/516667149.db2.gz MCKWPKFXNYWKGP-ZFWWWQNUSA-N 1 0 359.430 2.813 20 5 FFBDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000536187756 516668069 /nfs/dbraw/zinc/66/80/69/516668069.db2.gz ARHWUOADEFVLFL-ZIAGYGMSSA-N 1 0 358.442 2.998 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000544298834 516687114 /nfs/dbraw/zinc/68/71/14/516687114.db2.gz GSDGHAAOEQYZJH-KBPBESRZSA-N 1 0 364.446 2.666 20 5 FFBDRO C[C@H]1CCC[C@](CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)([NH+](C)C)C1 ZINC000524311897 516691432 /nfs/dbraw/zinc/69/14/32/516691432.db2.gz OAZFYYOVRSEPLX-SGTLLEGYSA-N 1 0 363.414 2.564 20 5 FFBDRO Cc1c(Br)c(N2CCC[C@H]3C[N@H+](C)CC[C@H]32)ncc1[N+](=O)[O-] ZINC000544395000 516739066 /nfs/dbraw/zinc/73/90/66/516739066.db2.gz SXENLPYTDSYSAG-NWDGAFQWSA-N 1 0 369.263 2.981 20 5 FFBDRO CC[C@@H](CN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000513763052 516746021 /nfs/dbraw/zinc/74/60/21/516746021.db2.gz VEDNCOFEYVKDEK-FUHWJXTLSA-N 1 0 357.458 2.882 20 5 FFBDRO C[NH+](C)C1(CNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])CCCCCC1 ZINC000558503420 516781484 /nfs/dbraw/zinc/78/14/84/516781484.db2.gz OAAKXKLPRFEQMM-UHFFFAOYSA-N 1 0 369.487 2.669 20 5 FFBDRO C[NH+](C)CCOc1ccccc1-c1noc(-c2ccc([N+](=O)[O-])cn2)n1 ZINC000555111409 516785341 /nfs/dbraw/zinc/78/53/41/516785341.db2.gz TUKOBOINIHLHMI-UHFFFAOYSA-N 1 0 355.354 2.647 20 5 FFBDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000524716444 516800103 /nfs/dbraw/zinc/80/01/03/516800103.db2.gz LNGZGFYVSYLQMS-QGZVFWFLSA-N 1 0 370.453 2.918 20 5 FFBDRO CC[NH+](CC)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)c1cccc(OC)c1 ZINC000532397580 516953648 /nfs/dbraw/zinc/95/36/48/516953648.db2.gz WIELCOHQQNNOMJ-GOSISDBHSA-N 1 0 372.425 2.811 20 5 FFBDRO C[NH+](C)C1CCN(CCNc2ccc([N+](=O)[O-])cc2OC(F)F)CC1 ZINC000544843985 516955779 /nfs/dbraw/zinc/95/57/79/516955779.db2.gz FHXUBPORAHZSIW-UHFFFAOYSA-N 1 0 358.389 2.634 20 5 FFBDRO O=C(CC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1)NCC1CCCCC1 ZINC000532463993 516988990 /nfs/dbraw/zinc/98/89/90/516988990.db2.gz GOKYASAQNDCDTF-UHFFFAOYSA-N 1 0 374.485 2.803 20 5 FFBDRO CN(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000532583166 517046937 /nfs/dbraw/zinc/04/69/37/517046937.db2.gz VFWURGRWDVZEHR-QGZVFWFLSA-N 1 0 356.426 2.961 20 5 FFBDRO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000537178360 517070337 /nfs/dbraw/zinc/07/03/37/517070337.db2.gz DOCURFGUPGKKLW-WCQYABFASA-N 1 0 359.430 2.931 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H](N1CCOCC1)C(F)(F)F ZINC000552096759 517076262 /nfs/dbraw/zinc/07/62/62/517076262.db2.gz KAQPJCKCRJDMOU-IUODEOHRSA-N 1 0 361.364 2.817 20 5 FFBDRO C[NH+](C)CCSCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000555745570 517098315 /nfs/dbraw/zinc/09/83/15/517098315.db2.gz DCVFSTLRCKAYTQ-UHFFFAOYSA-N 1 0 351.350 2.847 20 5 FFBDRO O=C(C[NH2+]C1(c2ccc(F)cc2)CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000532721422 517112604 /nfs/dbraw/zinc/11/26/04/517112604.db2.gz AOMBFWVWJWPDGO-UHFFFAOYSA-N 1 0 355.369 2.902 20 5 FFBDRO C[C@@](O)(C1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1)C(F)(F)F ZINC000514900376 517113827 /nfs/dbraw/zinc/11/38/27/517113827.db2.gz XWKQIFVTWGUWPQ-OAHLLOKOSA-N 1 0 362.348 2.999 20 5 FFBDRO Cc1c(C(=O)Nc2cccc(C[N@@H+]3CC[C@@H](O)C3)c2)cccc1[N+](=O)[O-] ZINC000552198735 517135374 /nfs/dbraw/zinc/13/53/74/517135374.db2.gz DRKDVVWUBQJDKG-MRXNPFEDSA-N 1 0 355.394 2.722 20 5 FFBDRO Cn1c2ccccc2nc1CC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000532921299 517200989 /nfs/dbraw/zinc/20/09/89/517200989.db2.gz UDYILDMHUOXGJX-UHFFFAOYSA-N 1 0 365.437 2.846 20 5 FFBDRO COc1cccc(N2C[C@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3C)CC2=O)c1 ZINC000541769138 517207831 /nfs/dbraw/zinc/20/78/31/517207831.db2.gz CNDPKLYZRLCHOQ-OAHLLOKOSA-N 1 0 355.394 2.807 20 5 FFBDRO C[NH+]1CCN(c2ccc(NC(=O)Nc3ccc([N+](=O)[O-])cc3F)cn2)CC1 ZINC000541782773 517213202 /nfs/dbraw/zinc/21/32/02/517213202.db2.gz ZXWTVKSKVNNNHR-UHFFFAOYSA-N 1 0 374.376 2.525 20 5 FFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](CC(N)=O)c1ccccc1 ZINC000552381260 517232073 /nfs/dbraw/zinc/23/20/73/517232073.db2.gz CVTZYQFXHCEILM-DYVFJYSZSA-N 1 0 370.409 2.518 20 5 FFBDRO C[C@@H](NC(=O)c1cc([N+](=O)[O-])cn1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000537613111 517256296 /nfs/dbraw/zinc/25/62/96/517256296.db2.gz CKSUWZGMGVUAPM-GDBMZVCRSA-N 1 0 356.426 2.574 20 5 FFBDRO Cc1ccc(CN2CCN(C3CC[NH+](C(C)C)CC3)CC2)cc1[N+](=O)[O-] ZINC000537659050 517285543 /nfs/dbraw/zinc/28/55/43/517285543.db2.gz REJGALFVKNAKPM-UHFFFAOYSA-N 1 0 360.502 2.894 20 5 FFBDRO COc1cc(CC[NH2+]CCC(=O)Nc2ccccc2)c([N+](=O)[O-])cc1OC ZINC000548902238 517290605 /nfs/dbraw/zinc/29/06/05/517290605.db2.gz VAUHWDNSIXCROS-UHFFFAOYSA-N 1 0 373.409 2.773 20 5 FFBDRO CC(C)(C)[C@H]1C[C@@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000515415606 517344715 /nfs/dbraw/zinc/34/47/15/517344715.db2.gz VAWUAWJWZGCWBA-XJKSGUPXSA-N 1 0 370.471 2.552 20 5 FFBDRO COc1ccc(C[C@H]2CCC[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)cc1 ZINC000515469985 517366260 /nfs/dbraw/zinc/36/62/60/517366260.db2.gz HPTIXRXXTYOQJS-QGZVFWFLSA-N 1 0 371.437 2.720 20 5 FFBDRO CO[C@@H](C)C[N@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)C(C)C ZINC000533429080 517459183 /nfs/dbraw/zinc/45/91/83/517459183.db2.gz CAIOCYDPRXUQFW-ZDUSSCGKSA-N 1 0 351.403 2.638 20 5 FFBDRO COCCN1CC[C@H](Nc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])C1 ZINC000520755794 517499541 /nfs/dbraw/zinc/49/95/41/517499541.db2.gz ADWPQIAMPXXJCU-KRWDZBQOSA-N 1 0 369.421 2.958 20 5 FFBDRO C[NH+](C)C[C@H]1CCCN1C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000542365430 517522807 /nfs/dbraw/zinc/52/28/07/517522807.db2.gz LRFZVPBCZJYKFD-GFCCVEGCSA-N 1 0 357.863 2.893 20 5 FFBDRO O=C([C@@H]1C[NH2+]Cc2ccccc21)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000520818283 517523058 /nfs/dbraw/zinc/52/30/58/517523058.db2.gz DLKNSGZPZNJEPH-LJQANCHMSA-N 1 0 351.406 2.973 20 5 FFBDRO CC(C)(C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)Oc1ccccc1 ZINC000562993752 517566679 /nfs/dbraw/zinc/56/66/79/517566679.db2.gz NKRHMOZSOAWIGB-INIZCTEOSA-N 1 0 360.410 2.782 20 5 FFBDRO C[C@@H](C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)Oc1ccc(F)cc1 ZINC000562993214 517567254 /nfs/dbraw/zinc/56/72/54/517567254.db2.gz AWAVUMZLMBWFEA-XJKSGUPXSA-N 1 0 364.373 2.531 20 5 FFBDRO COc1cc(C[C@H](CO)C[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc(OC)c1 ZINC000538412190 517608708 /nfs/dbraw/zinc/60/87/08/517608708.db2.gz KCVVKJCLYKFLEW-INIZCTEOSA-N 1 0 360.410 2.553 20 5 FFBDRO C[NH+](C)CCOc1cccc(NC(=O)NCCc2cccc([N+](=O)[O-])c2)c1 ZINC000534040495 517718413 /nfs/dbraw/zinc/71/84/13/517718413.db2.gz RMVBAYRLPLCRBM-UHFFFAOYSA-N 1 0 372.425 2.899 20 5 FFBDRO Cc1ccccc1[C@@H]([C@H](C)Nc1nccc(C(N)=O)c1[N+](=O)[O-])[NH+](C)C ZINC000516520875 517723076 /nfs/dbraw/zinc/72/30/76/517723076.db2.gz VRAVGXJJVJJRSQ-SWLSCSKDSA-N 1 0 357.414 2.500 20 5 FFBDRO C[C@H]1CCCC[N@@H+]1CCNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000542781115 517736723 /nfs/dbraw/zinc/73/67/23/517736723.db2.gz IVLJWYNCAHAIOK-ZDUSSCGKSA-N 1 0 368.865 2.964 20 5 FFBDRO COC(=O)c1cc(C)nc(N2CC[NH+](C3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000553482592 517739586 /nfs/dbraw/zinc/73/95/86/517739586.db2.gz IARBECOKNXXHEC-UHFFFAOYSA-N 1 0 362.430 2.540 20 5 FFBDRO COc1cc(C[NH+]2CCC(CCO)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000538715294 517741446 /nfs/dbraw/zinc/74/14/46/517741446.db2.gz PLNVKEIRXVQJNY-UHFFFAOYSA-N 1 0 374.384 2.842 20 5 FFBDRO CC[N@H+](CCC1CCN(C(=O)c2cc([N+](=O)[O-])cn2C)CC1)CC1CC1 ZINC000538934964 517851169 /nfs/dbraw/zinc/85/11/69/517851169.db2.gz UHGJCKRYJPVZQM-UHFFFAOYSA-N 1 0 362.474 2.908 20 5 FFBDRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000539082817 517904399 /nfs/dbraw/zinc/90/43/99/517904399.db2.gz JKUSHVWOGZPCQZ-BRWVUGGUSA-N 1 0 366.483 2.861 20 5 FFBDRO Cc1c([C@@H](C)[NH2+]C[C@H](N2CCOCC2)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000560583158 517910066 /nfs/dbraw/zinc/91/00/66/517910066.db2.gz RDQGYUNZGHPPIC-DOMZBBRYSA-N 1 0 361.364 2.817 20 5 FFBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000534516830 517923279 /nfs/dbraw/zinc/92/32/79/517923279.db2.gz VITWQEXIQBCVHF-GJZGRUSLSA-N 1 0 360.458 2.783 20 5 FFBDRO CCOc1ccc2c(c1)CC[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C2 ZINC000543138965 517928769 /nfs/dbraw/zinc/92/87/69/517928769.db2.gz ILYNHQVTFJADOR-QGZVFWFLSA-N 1 0 372.421 2.792 20 5 FFBDRO CC(C)[N@@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C1 ZINC000522107261 517986644 /nfs/dbraw/zinc/98/66/44/517986644.db2.gz WNLFRMNXXWYGDQ-HNNXBMFYSA-N 1 0 360.458 2.973 20 5 FFBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000534690265 518001944 /nfs/dbraw/zinc/00/19/44/518001944.db2.gz FUWRNLVIYNKVEC-SFHVURJKSA-N 1 0 368.437 2.711 20 5 FFBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000522364765 518088270 /nfs/dbraw/zinc/08/82/70/518088270.db2.gz BJLIFOBMXLCTDQ-CXAGYDPISA-N 1 0 367.421 2.601 20 5 FFBDRO Cc1c(Br)c(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)ncc1[N+](=O)[O-] ZINC000543436810 518091380 /nfs/dbraw/zinc/09/13/80/518091380.db2.gz SPPOWISHLQPKNZ-MNOVXSKESA-N 1 0 355.236 2.734 20 5 FFBDRO CCCC[N@H+](C)C[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000563747777 518104091 /nfs/dbraw/zinc/10/40/91/518104091.db2.gz QGRXAGPSNKACJA-NSHDSACASA-N 1 0 363.867 2.647 20 5 FFBDRO COC(=O)C[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000543460421 518105268 /nfs/dbraw/zinc/10/52/68/518105268.db2.gz LYFYTNZSSTXAJN-OAHLLOKOSA-N 1 0 363.414 2.635 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCO[C@@H](C3CCCCC3)C2)c1 ZINC000543585130 518145769 /nfs/dbraw/zinc/14/57/69/518145769.db2.gz IEMWIDHXNWXJLH-IEBWSBKVSA-N 1 0 364.442 2.616 20 5 FFBDRO C[NH+](C)[C@H]1CCc2cc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc21 ZINC000566915320 518263785 /nfs/dbraw/zinc/26/37/85/518263785.db2.gz IPKZONTZNBWEMU-KRWDZBQOSA-N 1 0 361.423 2.945 20 5 FFBDRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000569835031 518316841 /nfs/dbraw/zinc/31/68/41/518316841.db2.gz AJJRRIZCDKRQJX-INIZCTEOSA-N 1 0 350.463 2.755 20 5 FFBDRO C[C@H](C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC(F)(F)F ZINC000578759911 518361273 /nfs/dbraw/zinc/36/12/73/518361273.db2.gz PCGNZZMYERPPQW-JTQLQIEISA-N 1 0 354.350 2.547 20 5 FFBDRO CCC[C@@H]1C[NH2+]CCN1Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000564331235 518402488 /nfs/dbraw/zinc/40/24/88/518402488.db2.gz UTUAYLLJJQNBDP-GFCCVEGCSA-N 1 0 359.373 2.779 20 5 FFBDRO O=C(CC[NH2+]C[C@@]1(CO)C[C@H]1c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000581726266 518426888 /nfs/dbraw/zinc/42/68/88/518426888.db2.gz GAZGPVOXJRIPDG-OXJNMPFZSA-N 1 0 369.421 2.679 20 5 FFBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000573070994 518490942 /nfs/dbraw/zinc/49/09/42/518490942.db2.gz AVRKNZSIQISXJE-UHFFFAOYSA-N 1 0 354.410 2.947 20 5 FFBDRO C[C@@H](C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])Cc1cccs1 ZINC000570201716 518492450 /nfs/dbraw/zinc/49/24/50/518492450.db2.gz DKGXGGFMQMLRGS-ZIAGYGMSSA-N 1 0 350.440 2.864 20 5 FFBDRO CCCc1n[nH]c(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000579113622 518529485 /nfs/dbraw/zinc/52/94/85/518529485.db2.gz UACVBLCPCXKJOH-OAHLLOKOSA-N 1 0 371.441 2.617 20 5 FFBDRO CC(C)COC[C@H](O)C[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000581998488 518539003 /nfs/dbraw/zinc/53/90/03/518539003.db2.gz LHQACVLWRYJNMB-CQSZACIVSA-N 1 0 350.337 2.737 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000570323536 518550515 /nfs/dbraw/zinc/55/05/15/518550515.db2.gz VSQHHMBNWBTKKS-HZPDHXFCSA-N 1 0 364.442 2.806 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@@H]1COc2ccc(Cl)cc21 ZINC000579228345 518583483 /nfs/dbraw/zinc/58/34/83/518583483.db2.gz JSJMNGCCFFQEEK-GXTWGEPZSA-N 1 0 364.785 2.711 20 5 FFBDRO CN1CCO[C@@H]2CC[N@H+](Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)C[C@@H]21 ZINC000585767622 518590285 /nfs/dbraw/zinc/59/02/85/518590285.db2.gz RBFJXEREKWLYBA-PKOBYXMFSA-N 1 0 357.410 2.760 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCc3ccccc3[C@@H]2C[NH3+])c1 ZINC000579246920 518592016 /nfs/dbraw/zinc/59/20/16/518592016.db2.gz MRRSQYOKRFRHAL-SFHVURJKSA-N 1 0 355.394 2.692 20 5 FFBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CC[C@@H](c2cccnc2)C1 ZINC000573320659 518611014 /nfs/dbraw/zinc/61/10/14/518611014.db2.gz DMEHHNIXEZESCM-OAHLLOKOSA-N 1 0 368.393 2.777 20 5 FFBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)c1cc(F)cc2c1[nH]c1ccc(F)cc1c2=O ZINC000576519179 518632385 /nfs/dbraw/zinc/63/23/85/518632385.db2.gz DZSBVDVOHFXIOS-ZJUUUORDSA-N 1 0 359.376 2.815 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)cc1SC ZINC000567672979 518645893 /nfs/dbraw/zinc/64/58/93/518645893.db2.gz XWPYGTNASLUMNR-QGZVFWFLSA-N 1 0 365.455 2.541 20 5 FFBDRO CC1(C)CC[C@@H](C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c2ccccc21 ZINC000564848676 518649849 /nfs/dbraw/zinc/64/98/49/518649849.db2.gz FJBHXENBFAXRPK-GOEBONIOSA-N 1 0 358.442 2.597 20 5 FFBDRO CO[C@@H]1C[NH2+][C@@H](C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000582239974 518655932 /nfs/dbraw/zinc/65/59/32/518655932.db2.gz JYVBLOPUZJFWCE-DLBZAZTESA-N 1 0 357.366 2.703 20 5 FFBDRO COc1cccc(C[C@H](C)[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000564856969 518657630 /nfs/dbraw/zinc/65/76/30/518657630.db2.gz PIYPJJVEEGEYLZ-WMLDXEAASA-N 1 0 360.410 2.564 20 5 FFBDRO COc1ccc(-c2ccc(C[NH2+]CCN3CCCC3=O)o2)c([N+](=O)[O-])c1 ZINC000570575044 518676279 /nfs/dbraw/zinc/67/62/79/518676279.db2.gz HLTPFCKELQUMTP-UHFFFAOYSA-N 1 0 359.382 2.575 20 5 FFBDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000576636555 518687048 /nfs/dbraw/zinc/68/70/48/518687048.db2.gz BPDUHDLLANQLHL-MRXNPFEDSA-N 1 0 362.474 2.643 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000588034059 518706944 /nfs/dbraw/zinc/70/69/44/518706944.db2.gz AYYOVJUDPRNBJQ-AWEZNQCLSA-N 1 0 365.430 2.603 20 5 FFBDRO CCO[C@@H]1C[C@@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C12CCCC2 ZINC000582513450 518789792 /nfs/dbraw/zinc/78/97/92/518789792.db2.gz FNGUOAOTVBKQQT-BMGDILEWSA-N 1 0 364.442 2.662 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C[C@H]1CCC2(CCCCC2)O1 ZINC000570837555 518804567 /nfs/dbraw/zinc/80/45/67/518804567.db2.gz YUDXUMUVQOEWJL-JKSUJKDBSA-N 1 0 364.442 2.806 20 5 FFBDRO C[C@@H]1CCCC[N@@H+]1CCC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000573752787 518817813 /nfs/dbraw/zinc/81/78/13/518817813.db2.gz ODEYWGPYLNZTRX-CQSZACIVSA-N 1 0 358.442 2.999 20 5 FFBDRO Cc1cccc2c1OCC[C@H]2[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000570955626 518859618 /nfs/dbraw/zinc/85/96/18/518859618.db2.gz TWGLURMXETUQKS-GDBMZVCRSA-N 1 0 358.394 2.756 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CCc1cc(F)c(F)c(F)c1 ZINC000582661800 518863613 /nfs/dbraw/zinc/86/36/13/518863613.db2.gz DVIFYPAACNRCFM-GFCCVEGCSA-N 1 0 370.327 2.584 20 5 FFBDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CCCOc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000588979279 518887319 /nfs/dbraw/zinc/88/73/19/518887319.db2.gz JHIXLBWARJNYAN-SNRMKQJTSA-N 1 0 361.442 2.600 20 5 FFBDRO CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000565323080 518898478 /nfs/dbraw/zinc/89/84/78/518898478.db2.gz MNZRHUASPOXUSX-HNNXBMFYSA-N 1 0 371.441 2.727 20 5 FFBDRO CC(C)C[C@H](C[NH3+])NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000571073680 518914221 /nfs/dbraw/zinc/91/42/21/518914221.db2.gz COMNTLRSURYBLM-SNVBAGLBSA-N 1 0 363.336 2.639 20 5 FFBDRO C[NH+](C)C1(CNc2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)CCCC1 ZINC000589105346 518916212 /nfs/dbraw/zinc/91/62/12/518916212.db2.gz KUEKGKPACQDVMK-UHFFFAOYSA-N 1 0 366.437 2.857 20 5 FFBDRO CCOC(=O)c1cc(C(=O)NCc2ccc([C@H](C)[NH3+])cc2)cc([N+](=O)[O-])c1 ZINC000577175630 518950348 /nfs/dbraw/zinc/95/03/48/518950348.db2.gz FISXCDVSMHTUSP-LBPRGKRZSA-N 1 0 371.393 2.721 20 5 FFBDRO CC(C)c1ccc(C(=O)N2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)cc1[N+](=O)[O-] ZINC000574032004 518954319 /nfs/dbraw/zinc/95/43/19/518954319.db2.gz MHDRJIZGYDZLHY-AEFFLSMTSA-N 1 0 373.453 2.559 20 5 FFBDRO CSCC[N@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000589255594 518965505 /nfs/dbraw/zinc/96/55/05/518965505.db2.gz UUDQCRDNDSASIF-UHFFFAOYSA-N 1 0 366.224 2.994 20 5 FFBDRO C[NH+](C)[C@H](CNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)C1CCCCC1 ZINC000568354687 518995760 /nfs/dbraw/zinc/99/57/60/518995760.db2.gz LMANTAQICWOWSL-MRXNPFEDSA-N 1 0 359.430 2.588 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[C@H](C[N@H+](C)CC3CC3)C2)c1 ZINC000589502640 519020241 /nfs/dbraw/zinc/02/02/41/519020241.db2.gz ATGGYAJOFFSSDW-OAHLLOKOSA-N 1 0 361.442 2.545 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2nnc(N3CC[NH+](C4CCC4)CC3)n2C2CC2)cc1 ZINC000568403881 519023333 /nfs/dbraw/zinc/02/33/33/519023333.db2.gz UZBIZSPLXAQCDE-UHFFFAOYSA-N 1 0 368.441 2.863 20 5 FFBDRO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CC[C@](CO)(c3ccccc3)C1)OCCO2 ZINC000589737663 519073480 /nfs/dbraw/zinc/07/34/80/519073480.db2.gz OTPCIJHSGJPTNB-FQEVSTJZSA-N 1 0 370.405 2.502 20 5 FFBDRO CN(C(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000565685444 519080123 /nfs/dbraw/zinc/08/01/23/519080123.db2.gz XFGMNILTYRGIHP-LLVKDONJSA-N 1 0 357.332 2.922 20 5 FFBDRO Cc1cc(N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000590140275 519159319 /nfs/dbraw/zinc/15/93/19/519159319.db2.gz ODLNOKVGPNXAAQ-CABCVRRESA-N 1 0 359.348 2.831 20 5 FFBDRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000590335136 519203120 /nfs/dbraw/zinc/20/31/20/519203120.db2.gz SZZXMSCOHNYBEW-UKRRQHHQSA-N 1 0 360.439 2.931 20 5 FFBDRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000590404366 519218457 /nfs/dbraw/zinc/21/84/57/519218457.db2.gz ZUOWZRRCVCXDML-XHDPSFHLSA-N 1 0 360.439 2.883 20 5 FFBDRO CS[C@@H]1CN(c2ccc([N+](=O)[O-])c(OC(C)C)n2)C[C@@H]1[NH+]1CCCC1 ZINC000583392193 519225051 /nfs/dbraw/zinc/22/50/51/519225051.db2.gz XZIUYTUBTKWTSY-LSDHHAIUSA-N 1 0 366.487 2.793 20 5 FFBDRO COC(=O)c1cc(C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)n(C)c1C ZINC000571731185 519242397 /nfs/dbraw/zinc/24/23/97/519242397.db2.gz JWXFGDACKBIEHY-UHFFFAOYSA-N 1 0 370.409 2.842 20 5 FFBDRO CC1(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])Cc2ccccc2C1 ZINC000571755239 519259422 /nfs/dbraw/zinc/25/94/22/519259422.db2.gz YUZQCGFTRHTLFK-KRWDZBQOSA-N 1 0 356.422 2.729 20 5 FFBDRO COc1cccc(O[C@H](C)C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000568872883 519262064 /nfs/dbraw/zinc/26/20/64/519262064.db2.gz BOSGYXUESCJJOV-CQSZACIVSA-N 1 0 373.409 2.989 20 5 FFBDRO COC(=O)c1ccnc(NC[C@@H](c2cccs2)[NH+](C)C)c1[N+](=O)[O-] ZINC000590570267 519269709 /nfs/dbraw/zinc/26/97/09/519269709.db2.gz YAKCOJPUAKCVHV-NSHDSACASA-N 1 0 350.400 2.553 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H]2CCCc3ccccc3C2)cc1 ZINC000590649681 519302845 /nfs/dbraw/zinc/30/28/45/519302845.db2.gz PPPOSXALYCAAGU-KRWDZBQOSA-N 1 0 374.462 2.906 20 5 FFBDRO CCO[C@@H]1C[C@H]([NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C12CCCC2 ZINC000590739522 519341996 /nfs/dbraw/zinc/34/19/96/519341996.db2.gz WAVYGNDBHZAWAH-ZWKOTPCHSA-N 1 0 373.453 2.811 20 5 FFBDRO C[C@]1(C[NH3+])CCN(C(=O)c2cc(F)cc3c2[nH]c2ccc(F)cc2c3=O)C1 ZINC000566206107 519368179 /nfs/dbraw/zinc/36/81/79/519368179.db2.gz QEWLDAOTGJEROA-HXUWFJFHSA-N 1 0 371.387 2.770 20 5 FFBDRO Cc1ccccc1C1(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000583688419 519381623 /nfs/dbraw/zinc/38/16/23/519381623.db2.gz IKMWBPVTAKNXES-QGZVFWFLSA-N 1 0 356.422 2.964 20 5 FFBDRO Cc1ccc(C[N@@H+]2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)nc1 ZINC000591028408 519484384 /nfs/dbraw/zinc/48/43/84/519484384.db2.gz KSITUHKOHQHQPQ-UHFFFAOYSA-N 1 0 366.425 2.887 20 5 FFBDRO COc1ccccc1CCNC(=O)C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000566473713 519511719 /nfs/dbraw/zinc/51/17/19/519511719.db2.gz CHNYIJXVIKLBGG-KRWDZBQOSA-N 1 0 369.421 2.539 20 5 FFBDRO COC1(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CCC(C)CC1 ZINC000578351179 519550397 /nfs/dbraw/zinc/55/03/97/519550397.db2.gz KVSZBZINKPNGQX-CSLYMUCUSA-N 1 0 352.431 2.519 20 5 FFBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+][C@H]1CCN(c3ccc(F)cc3)C1)OCCO2 ZINC000591267372 519567187 /nfs/dbraw/zinc/56/71/87/519567187.db2.gz FZZJNEBFJLJOSH-HNNXBMFYSA-N 1 0 373.384 2.874 20 5 FFBDRO CCCOc1cc(NC(=O)NC[C@@H](C)[NH3+])c([N+](=O)[O-])cc1OCCC ZINC000591273453 519568525 /nfs/dbraw/zinc/56/85/25/519568525.db2.gz LIIMMHXAMSOEHI-LLVKDONJSA-N 1 0 354.407 2.641 20 5 FFBDRO COc1ccc(NC(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000591297646 519579746 /nfs/dbraw/zinc/57/97/46/519579746.db2.gz VVVJZOAYRHTUPB-KGLIPLIRSA-N 1 0 362.430 2.847 20 5 FFBDRO COC(=O)c1cc(NC(=O)c2ccc3c[nH+]cn3c2)c(C)c([N+](=O)[O-])c1 ZINC000578427767 519586480 /nfs/dbraw/zinc/58/64/80/519586480.db2.gz HCLBPRGAOIIOQR-UHFFFAOYSA-N 1 0 354.322 2.590 20 5 FFBDRO CS(=O)(=O)Cc1cccc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000581260196 519603165 /nfs/dbraw/zinc/60/31/65/519603165.db2.gz FVLQLGUTXKAHSA-QGZVFWFLSA-N 1 0 360.435 2.917 20 5 FFBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000591353337 519605386 /nfs/dbraw/zinc/60/53/86/519605386.db2.gz WLMCFKKFJMXYNA-IAGOWNOFSA-N 1 0 360.458 2.559 20 5 FFBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]CC[C@H]1COc3ccccc3O1)OCCO2 ZINC000591357227 519607176 /nfs/dbraw/zinc/60/71/76/519607176.db2.gz PBFJBCYWEMSGMZ-AWEZNQCLSA-N 1 0 372.377 2.686 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@@H](C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000602848464 519924657 /nfs/dbraw/zinc/92/46/57/519924657.db2.gz VNCCRDVNUCOIGI-JSGCOSHPSA-N 1 0 352.435 2.542 20 5 FFBDRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000594417293 519952243 /nfs/dbraw/zinc/95/22/43/519952243.db2.gz BKYCBSTXESAQEC-IRXDYDNUSA-N 1 0 370.409 2.595 20 5 FFBDRO Cc1noc(C)c1[C@@H](C)[NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000612461582 519973450 /nfs/dbraw/zinc/97/34/50/519973450.db2.gz JWZLVBQZBNJHEW-SNVBAGLBSA-N 1 0 360.370 2.848 20 5 FFBDRO C[C@H](C(=O)N1CCN(c2cc[nH+]cc2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000612477943 519982816 /nfs/dbraw/zinc/98/28/16/519982816.db2.gz HEYQXNPAHFJUKC-ZDUSSCGKSA-N 1 0 358.373 2.581 20 5 FFBDRO CCC1([NH+](C)C)CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000602967960 519998797 /nfs/dbraw/zinc/99/87/97/519998797.db2.gz VEZLISZUYFMAMS-UHFFFAOYSA-N 1 0 368.865 2.993 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]Cc1ccccc1N1CCCC1 ZINC000591727968 520012870 /nfs/dbraw/zinc/01/28/70/520012870.db2.gz QXBJMPSMVFNYDW-KRWDZBQOSA-N 1 0 371.437 2.725 20 5 FFBDRO CC(C)(C)[C@@H]1OCCC[C@H]1C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000591740803 520017337 /nfs/dbraw/zinc/01/73/37/520017337.db2.gz JTBUPTCOUXNQHI-HDMKZQKVSA-N 1 0 366.458 2.765 20 5 FFBDRO CC(C)(C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CCCCO1 ZINC000591753717 520023131 /nfs/dbraw/zinc/02/31/31/520023131.db2.gz GSNRPPSKWKEGBJ-NVXWUHKLSA-N 1 0 352.431 2.519 20 5 FFBDRO Cc1ccc([C@@H](C)[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(C)n1 ZINC000612574218 520029231 /nfs/dbraw/zinc/02/92/31/520029231.db2.gz BEZNVNRLKSUUHD-CYBMUJFWSA-N 1 0 363.439 2.731 20 5 FFBDRO COc1ccc(-c2ccc(CN[C@H](C[NH3+])C(F)(F)F)o2)c([N+](=O)[O-])c1 ZINC000594581114 520037407 /nfs/dbraw/zinc/03/74/07/520037407.db2.gz PYBXSNXRPAKMJS-CQSZACIVSA-N 1 0 359.304 2.843 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]Cc2cccc3cnccc32)cc1 ZINC000612592294 520038791 /nfs/dbraw/zinc/03/87/91/520038791.db2.gz FIAPSWAWEHGZQE-UHFFFAOYSA-N 1 0 371.418 2.707 20 5 FFBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CC[NH2+]C2(CCCCC2)C1 ZINC000594628966 520061059 /nfs/dbraw/zinc/06/10/59/520061059.db2.gz RVQJUSDTRGACPK-UHFFFAOYSA-N 1 0 360.458 2.922 20 5 FFBDRO Cc1ccccc1CC1C[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000612678086 520086061 /nfs/dbraw/zinc/08/60/61/520086061.db2.gz ZGCRHXYNBYTPNO-LJQANCHMSA-N 1 0 356.422 2.817 20 5 FFBDRO COC(=O)c1cnc(NC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000591985570 520120827 /nfs/dbraw/zinc/12/08/27/520120827.db2.gz LSQRZMNIXBAQQP-CVEARBPZSA-N 1 0 370.409 2.534 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCc4ccc(O)cc4CC3)n2)cc1 ZINC000608866595 520149536 /nfs/dbraw/zinc/14/95/36/520149536.db2.gz BZWFAKICKPWCKK-UHFFFAOYSA-N 1 0 366.377 2.951 20 5 FFBDRO CC(C)[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cn2)CC[N@@H+]1Cc1ccccc1 ZINC000600252557 520159535 /nfs/dbraw/zinc/15/95/35/520159535.db2.gz JSYLLJUVZJSINE-IBGZPJMESA-N 1 0 368.437 2.972 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1cccc(N2CC[NH+](C)CC2)n1 ZINC000597669988 520167914 /nfs/dbraw/zinc/16/79/14/520167914.db2.gz ZTAYVEVREDZBOW-UHFFFAOYSA-N 1 0 369.425 2.611 20 5 FFBDRO C[N@@H+]1CCCC[C@H](CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000600311642 520199226 /nfs/dbraw/zinc/19/92/26/520199226.db2.gz BSXFWBURUHXYSU-CYBMUJFWSA-N 1 0 351.422 2.860 20 5 FFBDRO COC(=O)C1(C[N@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)CC1 ZINC000592133480 520209722 /nfs/dbraw/zinc/20/97/22/520209722.db2.gz VORNWQJQPSYULT-WKILWMFISA-N 1 0 362.426 2.654 20 5 FFBDRO Cc1ccc(C[N@H+](CC(C)C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c(C)c1 ZINC000592138833 520213601 /nfs/dbraw/zinc/21/36/01/520213601.db2.gz KBNCLBOACKUHDY-IBGZPJMESA-N 1 0 360.458 2.927 20 5 FFBDRO COc1ccccc1C1([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000592142811 520218384 /nfs/dbraw/zinc/21/83/84/520218384.db2.gz GSLQQTJBIYQIGY-OAHLLOKOSA-N 1 0 358.394 2.622 20 5 FFBDRO Cn1cc(C[NH2+]CC(O)(C2CC2)C2CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000594981892 520241944 /nfs/dbraw/zinc/24/19/44/520241944.db2.gz BUGJPFZBADYHNY-UHFFFAOYSA-N 1 0 356.426 2.636 20 5 FFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC000594990974 520246002 /nfs/dbraw/zinc/24/60/02/520246002.db2.gz WGDBFJNGLSKGJG-KZFWWMDYSA-N 1 0 357.454 2.841 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+]C[C@@H]2C(C)(C)C2(F)F)cc1[N+](=O)[O-] ZINC000594991171 520246466 /nfs/dbraw/zinc/24/64/66/520246466.db2.gz FQIKTISQBOGNIK-CYBMUJFWSA-N 1 0 358.341 2.528 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC(C)(C)[C@]1(O)CCCOC1 ZINC000594996540 520249352 /nfs/dbraw/zinc/24/93/52/520249352.db2.gz OZQLDXIKDQXEFG-SFHVURJKSA-N 1 0 352.431 2.651 20 5 FFBDRO C[C@H]1COCC[N@@H+]1C1CCN(c2ccc3cnccc3c2[N+](=O)[O-])CC1 ZINC000603403913 520249545 /nfs/dbraw/zinc/24/95/45/520249545.db2.gz XEWPXMRRDOWVBK-AWEZNQCLSA-N 1 0 356.426 2.833 20 5 FFBDRO C[C@@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000595001974 520250943 /nfs/dbraw/zinc/25/09/43/520250943.db2.gz YTHFWWWBNYJZRM-GUYCJALGSA-N 1 0 358.394 2.620 20 5 FFBDRO O=[N+]([O-])c1cc2c(ncnc2NC2CC[NH+](C3CCOCC3)CC2)s1 ZINC000603407944 520251552 /nfs/dbraw/zinc/25/15/52/520251552.db2.gz JLTGWKCYOBCPNZ-UHFFFAOYSA-N 1 0 363.443 2.655 20 5 FFBDRO CC(C)c1n[nH]c(C(=O)N(C)CCCC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000603407820 520251807 /nfs/dbraw/zinc/25/18/07/520251807.db2.gz YKNJSBRZJDCFQM-UHFFFAOYSA-N 1 0 351.451 2.779 20 5 FFBDRO COc1cc(CNc2cc[nH+]c(C)c2Br)c([N+](=O)[O-])cc1O ZINC000616955449 520256110 /nfs/dbraw/zinc/25/61/10/520256110.db2.gz XEHXKXOWKFPWGE-UHFFFAOYSA-N 1 0 368.187 2.809 20 5 FFBDRO Cn1ccnc1[C@H](NC[C@H]1CC[N@@H+]1C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000595049799 520269863 /nfs/dbraw/zinc/26/98/63/520269863.db2.gz OTESUQYCRXTNJU-IAGOWNOFSA-N 1 0 357.458 2.880 20 5 FFBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000600470921 520279791 /nfs/dbraw/zinc/27/97/91/520279791.db2.gz JRBBCIKYCGJDFZ-GOSISDBHSA-N 1 0 360.458 2.920 20 5 FFBDRO O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000600472761 520280723 /nfs/dbraw/zinc/28/07/23/520280723.db2.gz PXJXZBJMKUQIAD-CYBMUJFWSA-N 1 0 369.368 2.943 20 5 FFBDRO COc1ccc(N2C[C@H]([NH2+][C@H]3CCc4c3cccc4[N+](=O)[O-])CC2=O)cc1 ZINC000595077980 520282336 /nfs/dbraw/zinc/28/23/36/520282336.db2.gz MHZNMWFPINFPJW-ACJLOTCBSA-N 1 0 367.405 2.986 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC000597853489 520282472 /nfs/dbraw/zinc/28/24/72/520282472.db2.gz AZPBODXGORVEGY-OAHLLOKOSA-N 1 0 363.458 2.909 20 5 FFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]Cc1c(C2CC2)cnn1C ZINC000595076101 520282677 /nfs/dbraw/zinc/28/26/77/520282677.db2.gz DZZWFLCEWRBLEB-GFCCVEGCSA-N 1 0 357.414 2.713 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000597858492 520286989 /nfs/dbraw/zinc/28/69/89/520286989.db2.gz MDGXNYDSTQMDQS-LLVKDONJSA-N 1 0 357.357 2.799 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCN1C[C@H]2CCCCN2C1=O ZINC000595098643 520292539 /nfs/dbraw/zinc/29/25/39/520292539.db2.gz DFGLWAUGCMLNQM-UKRRQHHQSA-N 1 0 362.430 2.544 20 5 FFBDRO C[C@@](CO)([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000609483837 520326438 /nfs/dbraw/zinc/32/64/38/520326438.db2.gz KDWITSBHOHQDJF-KRWDZBQOSA-N 1 0 363.801 2.684 20 5 FFBDRO C[C@@H](CNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)[N@@H+]1CCCC[C@H]1C ZINC000609547788 520353749 /nfs/dbraw/zinc/35/37/49/520353749.db2.gz JIPGANJFJUELJK-OLZOCXBDSA-N 1 0 372.425 2.841 20 5 FFBDRO COc1ccc(-c2ccc(C[NH2+]CCCc3ncn(C)n3)o2)c([N+](=O)[O-])c1 ZINC000592373471 520356628 /nfs/dbraw/zinc/35/66/28/520356628.db2.gz SHSJSGOARZNDDA-UHFFFAOYSA-N 1 0 371.397 2.714 20 5 FFBDRO CC[NH+](CC)[C@@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)CC(C)C ZINC000609583075 520365439 /nfs/dbraw/zinc/36/54/39/520365439.db2.gz ZXGGZRWWRYXEHW-CYBMUJFWSA-N 1 0 365.430 2.810 20 5 FFBDRO C[C@@H]1CCCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)[C@@H]1CCC[NH3+] ZINC000595258546 520376119 /nfs/dbraw/zinc/37/61/19/520376119.db2.gz QPLURHVABOANDO-RDTXWAMCSA-N 1 0 371.441 2.760 20 5 FFBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000595262620 520379004 /nfs/dbraw/zinc/37/90/04/520379004.db2.gz OSEITWFCOYVKDX-QGZVFWFLSA-N 1 0 360.458 2.559 20 5 FFBDRO COc1cccc(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)c1[N+](=O)[O-] ZINC000595270434 520382174 /nfs/dbraw/zinc/38/21/74/520382174.db2.gz VMZGWYIMKBROOB-GDBMZVCRSA-N 1 0 373.384 2.618 20 5 FFBDRO CCC1([NH+]2CCOCC2)CCN(C(=O)c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000600681871 520393911 /nfs/dbraw/zinc/39/39/11/520393911.db2.gz HKVAHLMRYGANOD-UHFFFAOYSA-N 1 0 361.442 2.620 20 5 FFBDRO O=C(CN1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000592479181 520406900 /nfs/dbraw/zinc/40/69/00/520406900.db2.gz UEMBSICEWGVHTE-DOMZBBRYSA-N 1 0 366.849 2.651 20 5 FFBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000603929291 520407723 /nfs/dbraw/zinc/40/77/23/520407723.db2.gz JAVSISHMAUACRI-HNNXBMFYSA-N 1 0 354.410 2.641 20 5 FFBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000609766497 520426251 /nfs/dbraw/zinc/42/62/51/520426251.db2.gz XIWMMXWTHROFSC-ZBFHGGJFSA-N 1 0 361.398 2.536 20 5 FFBDRO Cc1ccc(-c2nn(C)cc2C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)o1 ZINC000592514012 520433435 /nfs/dbraw/zinc/43/34/35/520433435.db2.gz PIOQCSIGZPBEQJ-UHFFFAOYSA-N 1 0 370.413 2.930 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2[C@@H]3Cc4c(cccc4Cl)[C@@H]32)c1 ZINC000600756053 520450672 /nfs/dbraw/zinc/45/06/72/520450672.db2.gz LFOYFBJFZRKKEV-PSVFENSKSA-N 1 0 374.824 2.916 20 5 FFBDRO COc1ccc(CNC(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000604105759 520451721 /nfs/dbraw/zinc/45/17/21/520451721.db2.gz XQARYGNLMCUFGU-KBPBESRZSA-N 1 0 364.446 2.523 20 5 FFBDRO O=C(N[C@H]1CC[NH2+]C12CCCC2)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000592571213 520459557 /nfs/dbraw/zinc/45/95/57/520459557.db2.gz VNLFBUCGSRIBDY-SFHVURJKSA-N 1 0 372.469 2.602 20 5 FFBDRO CN(CC1C[NH+](C)C1)C(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000598162642 520461376 /nfs/dbraw/zinc/46/13/76/520461376.db2.gz YDARDEUMTGNGNA-UHFFFAOYSA-N 1 0 369.421 2.807 20 5 FFBDRO O=C(NCc1ccccc1[N+](=O)[O-])NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000595446825 520475986 /nfs/dbraw/zinc/47/59/86/520475986.db2.gz IZSHHGPEMWFCBE-KRWDZBQOSA-N 1 0 354.410 2.669 20 5 FFBDRO C[C@@H](c1ccccc1)[C@@H](CO)[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000613389609 520479796 /nfs/dbraw/zinc/47/97/96/520479796.db2.gz ORDOHZGWUZTHOO-SUMWQHHRSA-N 1 0 368.393 2.899 20 5 FFBDRO C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000598195758 520486535 /nfs/dbraw/zinc/48/65/35/520486535.db2.gz RLBZEKNEKOCHIA-FQEVSTJZSA-N 1 0 367.449 2.913 20 5 FFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000598196120 520487283 /nfs/dbraw/zinc/48/72/83/520487283.db2.gz ZUADRTRGMPBYCZ-KRWDZBQOSA-N 1 0 368.437 2.687 20 5 FFBDRO C[NH2+]C1(CNC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)CCC1 ZINC000600826089 520491093 /nfs/dbraw/zinc/49/10/93/520491093.db2.gz XXERLTHFUYAASZ-UHFFFAOYSA-N 1 0 360.458 2.703 20 5 FFBDRO Cc1n[nH]c(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000609996196 520500145 /nfs/dbraw/zinc/50/01/45/520500145.db2.gz XPVFFKARRNVCCO-CZUORRHYSA-N 1 0 371.441 2.751 20 5 FFBDRO NC(=O)CCN(Cc1ccc(F)cc1[N+](=O)[O-])[C@@H]1CCOc2ccccc21 ZINC000595518613 520524171 /nfs/dbraw/zinc/52/41/71/520524171.db2.gz BWDKNKRMHSMMEU-MRXNPFEDSA-N 1 0 373.384 2.935 20 5 FFBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000610100368 520540161 /nfs/dbraw/zinc/54/01/61/520540161.db2.gz WYQVHIKUZLVESH-ZWKOTPCHSA-N 1 0 360.458 2.844 20 5 FFBDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1ccc([N+](=O)[O-])n1C ZINC000610121992 520549448 /nfs/dbraw/zinc/54/94/48/520549448.db2.gz KYKRZNULXIGRAT-HNNXBMFYSA-N 1 0 356.426 2.670 20 5 FFBDRO CCC[N@@H+]1CC[C@@H](NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000598342461 520566084 /nfs/dbraw/zinc/56/60/84/520566084.db2.gz NPOZNSVIIWDZIH-CYBMUJFWSA-N 1 0 360.439 2.932 20 5 FFBDRO Cc1cccc(C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)c1[N+](=O)[O-] ZINC000610180630 520569931 /nfs/dbraw/zinc/56/99/31/520569931.db2.gz YYPOQKHJLRLODQ-UHFFFAOYSA-N 1 0 353.422 2.732 20 5 FFBDRO Cc1n[nH]c(C(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c1[N+](=O)[O-] ZINC000610200268 520576219 /nfs/dbraw/zinc/57/62/19/520576219.db2.gz WOBIBWXIASNXCM-IAQYHMDHSA-N 1 0 363.443 2.501 20 5 FFBDRO CCC[N@@H+]1CC[C@H](NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000595591548 520577452 /nfs/dbraw/zinc/57/74/52/520577452.db2.gz VSWDAYJOYQQSLB-ZDUSSCGKSA-N 1 0 374.363 2.897 20 5 FFBDRO Cc1c(NC(=O)CC[N@@H+](C)[C@@H](CO)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000595599811 520582463 /nfs/dbraw/zinc/58/24/63/520582463.db2.gz ZFTYVNPCFRWRCA-QGZVFWFLSA-N 1 0 371.437 2.767 20 5 FFBDRO Cc1cc(OCC(=O)NC[C@H]2CC[N@@H+]2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000598512469 520671522 /nfs/dbraw/zinc/67/15/22/520671522.db2.gz TVJOVJSCBZEOLL-QGZVFWFLSA-N 1 0 369.421 2.673 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1CCC[C@@H]1Cc1cnn(C)c1 ZINC000595772413 520713276 /nfs/dbraw/zinc/71/32/76/520713276.db2.gz SNXZNQLEWZDMSO-CRAIPNDOSA-N 1 0 371.441 2.576 20 5 FFBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@@H](n1cncn1)C(F)(F)F)C1CC1 ZINC000601293066 520727784 /nfs/dbraw/zinc/72/77/84/520727784.db2.gz CNKYMHUDSMSNAS-DZGCQCFKSA-N 1 0 369.347 2.901 20 5 FFBDRO CCC[NH+]1CCC(N(C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)CC1 ZINC000598598537 520734513 /nfs/dbraw/zinc/73/45/13/520734513.db2.gz AWWFEKOOXGNYNQ-UHFFFAOYSA-N 1 0 369.487 2.707 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)C[C@@H]1C ZINC000598605312 520736889 /nfs/dbraw/zinc/73/68/89/520736889.db2.gz BDQYJAZNMZSWNV-ZFWWWQNUSA-N 1 0 369.487 2.705 20 5 FFBDRO COC(=O)c1ccnc(N[C@H](C)C[N@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000598610425 520742008 /nfs/dbraw/zinc/74/20/08/520742008.db2.gz BNOQGGGIBQFWOX-CYBMUJFWSA-N 1 0 358.398 2.709 20 5 FFBDRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000610572529 520745107 /nfs/dbraw/zinc/74/51/07/520745107.db2.gz DUWRDFGBEAZDSK-LBPRGKRZSA-N 1 0 368.231 2.571 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000593118340 520758385 /nfs/dbraw/zinc/75/83/85/520758385.db2.gz QKCQPTVOQWRWEX-OAHLLOKOSA-N 1 0 355.341 2.663 20 5 FFBDRO Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)c(C)c1[N+](=O)[O-] ZINC000598714179 520804691 /nfs/dbraw/zinc/80/46/91/520804691.db2.gz GDYSIPJMBZGFFC-LSDHHAIUSA-N 1 0 367.471 2.507 20 5 FFBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000595900409 520805818 /nfs/dbraw/zinc/80/58/18/520805818.db2.gz FMNXDZBHBZAXHZ-HOCLYGCPSA-N 1 0 360.458 2.633 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1c2ccccc2CC[C@H]1C[NH3+] ZINC000595903308 520809965 /nfs/dbraw/zinc/80/99/65/520809965.db2.gz SYISWDJCOVVERV-INIZCTEOSA-N 1 0 354.410 2.622 20 5 FFBDRO O=C(c1cccc2c1C[NH2+]C2)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000595927011 520828618 /nfs/dbraw/zinc/82/86/18/520828618.db2.gz MYLLOPZJWXICFG-UHFFFAOYSA-N 1 0 367.405 2.882 20 5 FFBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000595962685 520839745 /nfs/dbraw/zinc/83/97/45/520839745.db2.gz SMUYGUODGICTAO-INIZCTEOSA-N 1 0 361.442 2.602 20 5 FFBDRO CCC1([NH+](C)C)CCN(C(=O)NCc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000601560718 520842303 /nfs/dbraw/zinc/84/23/03/520842303.db2.gz KBHUCXOTGCHWJE-UHFFFAOYSA-N 1 0 364.446 2.619 20 5 FFBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N[C@@]3(C)CC[NH2+]C3)cc2[N+](=O)[O-])C1 ZINC000595993635 520847429 /nfs/dbraw/zinc/84/74/29/520847429.db2.gz ZDSAPRWWYMAHDX-KSMMKXTCSA-N 1 0 360.458 2.559 20 5 FFBDRO COC(=O)c1c(Cl)c(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000596168165 520948080 /nfs/dbraw/zinc/94/80/80/520948080.db2.gz LVELVCSLTTZFKY-NWDGAFQWSA-N 1 0 367.833 2.955 20 5 FFBDRO C[C@H](C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000601780544 520948457 /nfs/dbraw/zinc/94/84/57/520948457.db2.gz RTKRLIAJUBGYRB-ZDUSSCGKSA-N 1 0 357.414 2.800 20 5 FFBDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)c1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596182186 520957171 /nfs/dbraw/zinc/95/71/71/520957171.db2.gz QASMOEHWIUPOCG-UHFFFAOYSA-N 1 0 357.414 2.833 20 5 FFBDRO COC(=O)c1c(Cl)c(N2CCC[C@@H]([NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000596209259 520971546 /nfs/dbraw/zinc/97/15/46/520971546.db2.gz QLBVIVJUNGWUNU-LLVKDONJSA-N 1 0 355.822 2.955 20 5 FFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596218885 520976884 /nfs/dbraw/zinc/97/68/84/520976884.db2.gz NGNUZEYLAQDVMC-DYVFJYSZSA-N 1 0 354.410 2.626 20 5 FFBDRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593414340 520978350 /nfs/dbraw/zinc/97/83/50/520978350.db2.gz LYCSMBPKZDXTCA-KRWDZBQOSA-N 1 0 359.401 2.566 20 5 FFBDRO CC[N@@H+]1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@H]1C ZINC000611093892 520983130 /nfs/dbraw/zinc/98/31/30/520983130.db2.gz MHTIDANJOLBLOE-SNVBAGLBSA-N 1 0 358.345 2.754 20 5 FFBDRO C[C@H]1[C@@H](Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)CC[N@@H+]1Cc1ccccc1 ZINC000596236441 520988181 /nfs/dbraw/zinc/98/81/81/520988181.db2.gz VVAVVEVENPRDAN-GUYCJALGSA-N 1 0 354.410 2.769 20 5 FFBDRO CC(C)[NH2+]C1(CO)CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000596251299 520993919 /nfs/dbraw/zinc/99/39/19/520993919.db2.gz POHPIPPIAHJISD-UHFFFAOYSA-N 1 0 361.364 2.943 20 5 FFBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1cccc(Cn2nc([N+](=O)[O-])cc2C)c1 ZINC000593447523 520997521 /nfs/dbraw/zinc/99/75/21/520997521.db2.gz DLOAIHZBIHQFHL-CQSZACIVSA-N 1 0 373.457 2.608 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000596309323 521021841 /nfs/dbraw/zinc/02/18/41/521021841.db2.gz YNTAHTVWFMYDDY-JTQLQIEISA-N 1 0 361.489 2.592 20 5 FFBDRO Cc1cnc(N2CCO[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]32)c([N+](=O)[O-])c1 ZINC000593495813 521031285 /nfs/dbraw/zinc/03/12/85/521031285.db2.gz JWBDBRXAJQZSQV-MOPGFXCFSA-N 1 0 368.437 2.778 20 5 FFBDRO Cc1cc(N2CCO[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]32)ncc1[N+](=O)[O-] ZINC000593496674 521033381 /nfs/dbraw/zinc/03/33/81/521033381.db2.gz VRLFQICXLHGHHM-MOPGFXCFSA-N 1 0 368.437 2.778 20 5 FFBDRO CCOC(=O)c1ccnc(NC[C@H]2CC[N@@H+]2C2CCCCC2)c1[N+](=O)[O-] ZINC000599126987 521043992 /nfs/dbraw/zinc/04/39/92/521043992.db2.gz KTPDVFMWKLGPIR-CQSZACIVSA-N 1 0 362.430 2.985 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CC1([C@@H]2CCCCO2)CCC1 ZINC000601970350 521049238 /nfs/dbraw/zinc/04/92/38/521049238.db2.gz WGYSAKUIWZWDLD-YJBOKZPZSA-N 1 0 364.442 2.664 20 5 FFBDRO O=[N+]([O-])c1cc2c(cc1CN1CCC([NH+]3CCCCC3)CC1)OCCO2 ZINC000611253799 521060283 /nfs/dbraw/zinc/06/02/83/521060283.db2.gz YXPKUBUANHTZSF-UHFFFAOYSA-N 1 0 361.442 2.816 20 5 FFBDRO O=[N+]([O-])c1cc2c(cc1CN1CCC[N@@H+](C3CCCC3)CC1)OCCO2 ZINC000611266762 521066662 /nfs/dbraw/zinc/06/66/62/521066662.db2.gz JRWPNNMWQSAGAN-UHFFFAOYSA-N 1 0 361.442 2.816 20 5 FFBDRO O=[N+]([O-])c1cncc(Cl)c1NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000596436651 521068445 /nfs/dbraw/zinc/06/84/45/521068445.db2.gz MQVFQQISHZIHRU-UHFFFAOYSA-N 1 0 361.833 2.784 20 5 FFBDRO COC(=O)CCC1CC[NH+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000611271414 521070174 /nfs/dbraw/zinc/07/01/74/521070174.db2.gz UZXPXSZXEDAHRT-UHFFFAOYSA-N 1 0 364.398 2.531 20 5 FFBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000599203665 521084629 /nfs/dbraw/zinc/08/46/29/521084629.db2.gz MWGRARRCXPQFSM-SFHVURJKSA-N 1 0 360.458 2.796 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000611350402 521112945 /nfs/dbraw/zinc/11/29/45/521112945.db2.gz LACVHEBUQMJPKX-CVEARBPZSA-N 1 0 361.442 2.980 20 5 FFBDRO CN(C)c1nc(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cs1 ZINC000618571604 521129589 /nfs/dbraw/zinc/12/95/89/521129589.db2.gz XAFOTHLUBXBEDR-STQMWFEESA-N 1 0 350.448 2.587 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000611537127 521207132 /nfs/dbraw/zinc/20/71/32/521207132.db2.gz VVCKTFCEHVFLFK-SFHVURJKSA-N 1 0 360.414 2.858 20 5 FFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000611618591 521249976 /nfs/dbraw/zinc/24/99/76/521249976.db2.gz AVLMYGSTOZZGST-OLZOCXBDSA-N 1 0 369.368 2.895 20 5 FFBDRO Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)N[C@@](C)(C[NH3+])CC(C)C)c1 ZINC000593903250 521283986 /nfs/dbraw/zinc/28/39/86/521283986.db2.gz UYQWERNVJBSPQA-LJQANCHMSA-N 1 0 373.457 2.641 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1SC ZINC000593913187 521287490 /nfs/dbraw/zinc/28/74/90/521287490.db2.gz SIHHSIGLIRNWTB-GTNSWQLSSA-N 1 0 365.455 2.526 20 5 FFBDRO C[C@H]1CC[C@H](NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C[NH2+]1 ZINC000599604370 521325909 /nfs/dbraw/zinc/32/59/09/521325909.db2.gz NGQGSFQLYRTZTL-WPRPVWTQSA-N 1 0 357.208 2.619 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000596845420 521328572 /nfs/dbraw/zinc/32/85/72/521328572.db2.gz UDIGFDRYCJFMRN-ZDUSSCGKSA-N 1 0 350.419 2.845 20 5 FFBDRO O=C(CC[N@@H+]1CCc2nc(C3CC3)ncc2C1)Nc1ccccc1[N+](=O)[O-] ZINC000599620213 521337040 /nfs/dbraw/zinc/33/70/40/521337040.db2.gz QXXBRAQNIMPYBJ-UHFFFAOYSA-N 1 0 367.409 2.649 20 5 FFBDRO CC[NH+](CC)CCN(Cc1cccs1)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602431645 521341888 /nfs/dbraw/zinc/34/18/88/521341888.db2.gz IITLNXICJRVBHN-UHFFFAOYSA-N 1 0 351.476 2.734 20 5 FFBDRO O=c1ccc([C@@H]2OCC[C@H]2[NH2+]CCCOc2ccc([N+](=O)[O-])cc2)c[nH]1 ZINC000599631346 521342795 /nfs/dbraw/zinc/34/27/95/521342795.db2.gz YJWGQMGGHQYTMP-AEFFLSMTSA-N 1 0 359.382 2.584 20 5 FFBDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000602436100 521344399 /nfs/dbraw/zinc/34/43/99/521344399.db2.gz WUAVNQIATXCATM-VHSXEESVSA-N 1 0 356.220 2.557 20 5 FFBDRO CCN(Cc1cn(C)nc1[N+](=O)[O-])[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000602448280 521351508 /nfs/dbraw/zinc/35/15/08/521351508.db2.gz ICMYMDCATPMEAJ-YJBOKZPZSA-N 1 0 357.458 2.986 20 5 FFBDRO C[C@H](CCNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)[NH+](C)C ZINC000596900570 521366560 /nfs/dbraw/zinc/36/65/60/521366560.db2.gz QNNGQPWDGLRXBF-SECBINFHSA-N 1 0 359.224 2.819 20 5 FFBDRO O=C(Nc1cnc2c(c1)C[NH2+]CC2)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000602488125 521375215 /nfs/dbraw/zinc/37/52/15/521375215.db2.gz ZQVULGVHTZDBDY-UHFFFAOYSA-N 1 0 352.394 2.696 20 5 FFBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@H](CCO)c2cc(Cl)cc(Cl)c2)n1 ZINC000599665272 521376622 /nfs/dbraw/zinc/37/66/22/521376622.db2.gz IHDORWCRXYUVEF-CYBMUJFWSA-N 1 0 359.213 2.811 20 5 FFBDRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000594063999 521382647 /nfs/dbraw/zinc/38/26/47/521382647.db2.gz GPSGCCFVAFTULA-JGZJWPJOSA-N 1 0 358.345 2.658 20 5 FFBDRO C[NH+](C)CCOc1ccc(CNCc2nc3cc([N+](=O)[O-])ccc3o2)cc1 ZINC000602516590 521389935 /nfs/dbraw/zinc/38/99/35/521389935.db2.gz NZKXRCALEFLQAC-UHFFFAOYSA-N 1 0 370.409 2.966 20 5 FFBDRO CC[C@@H](C)NC(=O)CC[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602519701 521391635 /nfs/dbraw/zinc/39/16/35/521391635.db2.gz HZSKTYKNKHBRSW-MRVPVSSYSA-N 1 0 364.265 2.813 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCOc3cccc(F)c3)CC2)cn1 ZINC000602521011 521392349 /nfs/dbraw/zinc/39/23/49/521392349.db2.gz MJSKLAITFMEENY-UHFFFAOYSA-N 1 0 360.389 2.766 20 5 FFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N(C)CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000599682857 521396752 /nfs/dbraw/zinc/39/67/52/521396752.db2.gz LVKHFOAYZJJWIP-ZDUSSCGKSA-N 1 0 371.393 2.998 20 5 FFBDRO [NH3+]C[C@@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC[C@@H]1C(F)(F)F ZINC000602542151 521402615 /nfs/dbraw/zinc/40/26/15/521402615.db2.gz UNUJRAYZLGTQSF-SKDRFNHKSA-N 1 0 365.739 2.848 20 5 FFBDRO NC(=O)[C@@H]1CCC[C@H]([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602552025 521407938 /nfs/dbraw/zinc/40/79/38/521407938.db2.gz RLYIHNZSERODOG-SFYZADRCSA-N 1 0 362.249 2.553 20 5 FFBDRO C[C@H](CCc1cccn1C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602556288 521410392 /nfs/dbraw/zinc/41/03/92/521410392.db2.gz KWCKSWMLVQPJJA-OAHLLOKOSA-N 1 0 357.458 2.908 20 5 FFBDRO COc1ccc([C@@H]([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C2CC2)cn1 ZINC000599702742 521414392 /nfs/dbraw/zinc/41/43/92/521414392.db2.gz YSSJSLNOQXXZKR-IBGZPJMESA-N 1 0 370.409 2.986 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3[C@H]4CCO[C@@H]4C34CCC4)CC2)cn1 ZINC000602582953 521422482 /nfs/dbraw/zinc/42/24/82/521422482.db2.gz ZFMCXPRVXPUWGE-NXHRZFHOSA-N 1 0 358.442 2.506 20 5 FFBDRO COC1(C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CCOCC1 ZINC000602584043 521423998 /nfs/dbraw/zinc/42/39/98/521423998.db2.gz XCZAUZQRKJWHHS-UHFFFAOYSA-N 1 0 365.249 2.704 20 5 FFBDRO C[C@@H](CC[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)[S@@](C)=O ZINC000602593470 521429540 /nfs/dbraw/zinc/42/95/40/521429540.db2.gz LXCLTNMZFXKQLB-ULCDLSAGSA-N 1 0 355.279 2.666 20 5 FFBDRO C[C@H](CC[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)[S@@](C)=O ZINC000602593468 521430035 /nfs/dbraw/zinc/43/00/35/521430035.db2.gz LXCLTNMZFXKQLB-LWESTGQBSA-N 1 0 355.279 2.666 20 5 FFBDRO Cn1nc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c2ccccc21 ZINC000602619014 521439950 /nfs/dbraw/zinc/43/99/50/521439950.db2.gz VYKBUDRUZZJXQP-UHFFFAOYSA-N 1 0 366.425 2.635 20 5 FFBDRO COc1ccc(CC(=O)N2CC[C@H](C[NH3+])c3ccccc32)cc1[N+](=O)[O-] ZINC000602622198 521442049 /nfs/dbraw/zinc/44/20/49/521442049.db2.gz KJPSGAZRXIUYJJ-CQSZACIVSA-N 1 0 355.394 2.625 20 5 FFBDRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000594200368 521466436 /nfs/dbraw/zinc/46/64/36/521466436.db2.gz LADIVLITZKLPOF-WMZOPIPTSA-N 1 0 369.425 2.527 20 5 FFBDRO CO[C@H]1COCC[C@H]1C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602674974 521475186 /nfs/dbraw/zinc/47/51/86/521475186.db2.gz IUQFYVCQJKVCIA-KWQFWETISA-N 1 0 365.249 2.560 20 5 FFBDRO CC(C)[C@@H](CO)[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C(C)C ZINC000602685888 521478521 /nfs/dbraw/zinc/47/85/21/521478521.db2.gz SQZXJVSDQUHAMK-IEBWSBKVSA-N 1 0 364.490 2.837 20 5 FFBDRO C[NH+](C)C1(CNC(=O)c2c(Br)cccc2[N+](=O)[O-])CCC1 ZINC000599798548 521480801 /nfs/dbraw/zinc/48/08/01/521480801.db2.gz FYEIHSMWQQBHSK-UHFFFAOYSA-N 1 0 356.220 2.571 20 5 FFBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597093486 521499397 /nfs/dbraw/zinc/49/93/97/521499397.db2.gz WNMLMKJSNWUYQB-CMPLNLGQSA-N 1 0 367.837 2.921 20 5 FFBDRO Cc1ccc2[nH]c([C@H]3CCC[N@@H+](Cc4cn(C)nc4[N+](=O)[O-])C3)nc2c1 ZINC000602801611 521540330 /nfs/dbraw/zinc/54/03/30/521540330.db2.gz XKEOXHJSWKIPSM-ZDUSSCGKSA-N 1 0 354.414 2.893 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@H](Cn4ccnn4)C3)o2)cc1 ZINC000597172748 521554618 /nfs/dbraw/zinc/55/46/18/521554618.db2.gz BYZWXFHSAPASLB-AWEZNQCLSA-N 1 0 353.382 2.968 20 5 FFBDRO Cn1cc(CN[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c([N+](=O)[O-])n1 ZINC000602825405 521555431 /nfs/dbraw/zinc/55/54/31/521555431.db2.gz SLOQMIALZQBOAL-KRWDZBQOSA-N 1 0 357.458 2.719 20 5 FFBDRO C[NH+](C)C1CC(NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000619879670 521915560 /nfs/dbraw/zinc/91/55/60/521915560.db2.gz OOQUBFUAHKUPIF-UHFFFAOYSA-N 1 0 374.363 2.624 20 5 FFBDRO C[NH+]1CCC(n2ccc(NC(=O)Nc3ccc([N+](=O)[O-])cc3F)n2)CC1 ZINC000485511858 561320826 /nfs/dbraw/zinc/32/08/26/561320826.db2.gz ATCXUXLAAXWTDF-UHFFFAOYSA-N 1 0 362.365 2.841 20 5 FFBDRO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1NCCCCC[NH+]1CCCCC1 ZINC000738357567 598678901 /nfs/dbraw/zinc/67/89/01/598678901.db2.gz FOMBDYNDYFBTKI-UHFFFAOYSA-N 1 0 359.434 2.843 20 5 FFBDRO C[C@@H]([NH2+]CCOc1ccc(-c2nn[nH]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000820420567 599694278 /nfs/dbraw/zinc/69/42/78/599694278.db2.gz SZQMWZHLOVZQIK-GFCCVEGCSA-N 1 0 354.370 2.505 20 5 FFBDRO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1NC1CC[NH+](C2CCCCC2)CC1 ZINC000823630475 606142965 /nfs/dbraw/zinc/14/29/65/606142965.db2.gz XMCBMJCLSZTTCF-UHFFFAOYSA-N 1 0 371.445 2.984 20 5 FFBDRO C[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824656552 609314361 /nfs/dbraw/zinc/31/43/61/609314361.db2.gz LPPUMYCNBDWLQN-CHWSQXEVSA-N 1 0 371.445 2.840 20 5 FFBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824607200 609345344 /nfs/dbraw/zinc/34/53/44/609345344.db2.gz VWMJGKNUWSSIJP-NSHDSACASA-N 1 0 356.361 2.807 20 5 FFBDRO Cc1c(Br)c(NCCCC[NH+]2CCOCC2)ncc1[N+](=O)[O-] ZINC000544410044 673710647 /nfs/dbraw/zinc/71/06/47/673710647.db2.gz RLIWGEHBGHIAHY-UHFFFAOYSA-N 1 0 373.251 2.585 20 5 FFBDRO O=[N+]([O-])c1c(Cl)ccnc1N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164721713 720334271 /nfs/dbraw/zinc/33/42/71/720334271.db2.gz DBOXSGZSFROOPK-HUUCEWRRSA-N 1 0 359.817 2.891 20 5 FFBDRO COc1cc(C)nc(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)c1[N+](=O)[O-] ZINC001164722586 720374114 /nfs/dbraw/zinc/37/41/14/720374114.db2.gz DOOAIGWTLNLREM-HZPDHXFCSA-N 1 0 369.425 2.555 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@@H]3CCCO3)CC2)nc1-c1ccccc1 ZINC000611181490 721924940 /nfs/dbraw/zinc/92/49/40/721924940.db2.gz PRXBEUIKNMRBFX-KRWDZBQOSA-N 1 0 368.437 2.958 20 5 FFBDRO COc1ccnc(N2CCN(Cc3ccc(Cl)c([N+](=O)[O-])c3)CC2)c1 ZINC000153781830 728788144 /nfs/dbraw/zinc/78/81/44/728788144.db2.gz ILJFMETUAITTEA-UHFFFAOYSA-N 1 0 362.817 2.974 20 5 FFBDRO CC[C@](C)(CC(=O)OC)[NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000134097104 728728631 /nfs/dbraw/zinc/72/86/31/728728631.db2.gz OZDHCJPQTVCDQG-QGZVFWFLSA-N 1 0 351.403 2.553 20 5 FFBDRO CC(C)[C@H](C[NH+](C)C)NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000755357284 736250766 /nfs/dbraw/zinc/25/07/66/736250766.db2.gz RSRDXVWPGZWHDH-AWEZNQCLSA-N 1 0 372.263 2.602 20 5 FFBDRO CS[C@H]1CN(c2cccc(Br)c2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000856737559 730352480 /nfs/dbraw/zinc/35/24/80/730352480.db2.gz HGJBBZPNIUDGKD-RYUDHWBXSA-N 1 0 360.277 2.839 20 5 FFBDRO CCCc1ccc(C[NH2+][C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000856770404 730356384 /nfs/dbraw/zinc/35/63/84/730356384.db2.gz IUTYIKATJIAJLM-IAGOWNOFSA-N 1 0 350.440 2.793 20 5 FFBDRO C[C@H]([NH2+][C@H]1[C@@H](C)[C@H](C)O[C@H]1C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000859825704 730466780 /nfs/dbraw/zinc/46/67/80/730466780.db2.gz NLKKVOJYGGJHJE-DMZJWBPISA-N 1 0 355.822 2.977 20 5 FFBDRO COCC[N@@H+]1CCC[C@H]1COC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000861032216 730568857 /nfs/dbraw/zinc/56/88/57/730568857.db2.gz KRYGYJZFZBMBQR-ZFWWWQNUSA-N 1 0 368.455 2.729 20 5 FFBDRO C[NH+](C)C1(C)CCC(Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000866148839 731035089 /nfs/dbraw/zinc/03/50/89/731035089.db2.gz WZDSIMQBEZQABG-UHFFFAOYSA-N 1 0 355.460 2.673 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])c(N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)cc1Cl ZINC000866205020 731040625 /nfs/dbraw/zinc/04/06/25/731040625.db2.gz IUDIKVAHRIGUDD-MFKMUULPSA-N 1 0 353.806 2.565 20 5 FFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC[S@@](=O)CC(F)(F)F ZINC000866385615 731054212 /nfs/dbraw/zinc/05/42/12/731054212.db2.gz OIPWXJTVEVQHKQ-YGWIHHTISA-N 1 0 356.341 2.566 20 5 FFBDRO C[C@]([NH3+])(C(=O)NC1CCC2(CC2(F)F)CC1)c1cccc([N+](=O)[O-])c1 ZINC000867986161 731248992 /nfs/dbraw/zinc/24/89/92/731248992.db2.gz YJSZCWGBFRNIED-DSSZZKGTSA-N 1 0 353.369 2.853 20 5 FFBDRO C[C@@H](NC1CC[NH+](C[C@H]2CCOC2)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872037253 731723002 /nfs/dbraw/zinc/72/30/02/731723002.db2.gz CRJNCTXNEGFRER-ZIAGYGMSSA-N 1 0 351.422 2.885 20 5 FFBDRO CC1(C)CC[NH2+]CCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000872294752 731749524 /nfs/dbraw/zinc/74/95/24/731749524.db2.gz ZPIHPUYRDZKAMM-UHFFFAOYSA-N 1 0 360.439 2.932 20 5 FFBDRO COc1cc(CN2CC[C@@](C[NH3+])(C(C)(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000873223415 731892541 /nfs/dbraw/zinc/89/25/41/731892541.db2.gz MFAVBIJQRLPWFR-SFHVURJKSA-N 1 0 351.447 2.809 20 5 FFBDRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000874825283 732104385 /nfs/dbraw/zinc/10/43/85/732104385.db2.gz ITZLMAKJJMOMKW-KGLIPLIRSA-N 1 0 357.332 2.922 20 5 FFBDRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000874839385 732106303 /nfs/dbraw/zinc/10/63/03/732106303.db2.gz VUGGBBUYMZQSCG-KGLIPLIRSA-N 1 0 368.231 2.666 20 5 FFBDRO COCCN(CC1CC[NH+](C)CC1)C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000876164288 732220200 /nfs/dbraw/zinc/22/02/00/732220200.db2.gz HATMXFSVKHRFHQ-UHFFFAOYSA-N 1 0 369.849 2.679 20 5 FFBDRO Cc1nc(C2CC[NH2+]CC2)sc1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000876578554 732258725 /nfs/dbraw/zinc/25/87/25/732258725.db2.gz RMMIKLRYHGIIMS-UHFFFAOYSA-N 1 0 360.439 2.757 20 5 FFBDRO CC(C)c1ccc(C(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000877356577 732348649 /nfs/dbraw/zinc/34/86/49/732348649.db2.gz HBFRKPBOBNBSTN-AAEUAGOBSA-N 1 0 359.348 2.927 20 5 FFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)c1 ZINC000877366703 732352558 /nfs/dbraw/zinc/35/25/58/732352558.db2.gz AHJOMJIOOXLRGW-GZMMTYOYSA-N 1 0 363.361 2.526 20 5 FFBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000877388958 732356540 /nfs/dbraw/zinc/35/65/40/732356540.db2.gz IIHVJASSBUKPFQ-ZFWWWQNUSA-N 1 0 355.847 2.741 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC000877436626 732361857 /nfs/dbraw/zinc/36/18/57/732361857.db2.gz VCGDEFSSAAIYQS-LBPRGKRZSA-N 1 0 359.348 2.712 20 5 FFBDRO CN(CCCCCC[NH3+])C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000877440451 732362397 /nfs/dbraw/zinc/36/23/97/732362397.db2.gz XZYDXXBHUOEFIY-UHFFFAOYSA-N 1 0 358.236 2.948 20 5 FFBDRO CC(C)(C)OC(=O)C1(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CCC1 ZINC000877639863 732403638 /nfs/dbraw/zinc/40/36/38/732403638.db2.gz QNBFDZUXWGGIQG-UHFFFAOYSA-N 1 0 350.419 2.596 20 5 FFBDRO CC[C@@H](Cc1cccs1)[NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000877830890 732443797 /nfs/dbraw/zinc/44/37/97/732443797.db2.gz MXDHSZDSFHWVOB-IAOVAPTHSA-N 1 0 350.440 2.662 20 5 FFBDRO CN(CC[N@H+](C)C1CC1)Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000878444165 732533510 /nfs/dbraw/zinc/53/35/10/732533510.db2.gz XBWGYPXEJKZBEW-UHFFFAOYSA-N 1 0 365.821 2.824 20 5 FFBDRO CC(C)[C@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])[C@H](O)c1ccc(Cl)cc1 ZINC000878996902 732628861 /nfs/dbraw/zinc/62/88/61/732628861.db2.gz QCLKHAOSOBJGFF-LSDHHAIUSA-N 1 0 352.822 2.830 20 5 FFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879574818 732727391 /nfs/dbraw/zinc/72/73/91/732727391.db2.gz GUKFXXPCEYUUOS-XHBSWPGZSA-N 1 0 366.849 2.601 20 5 FFBDRO C[C@H]1CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCN1c1cc[nH+]cc1 ZINC000881638699 733077831 /nfs/dbraw/zinc/07/78/31/733077831.db2.gz WPSCZVKHOXIELW-LBPRGKRZSA-N 1 0 360.801 2.994 20 5 FFBDRO CC1([NH+]2CCC2)CCN(c2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000882963960 733315640 /nfs/dbraw/zinc/31/56/40/733315640.db2.gz OBBJNOBMWOHCEK-UHFFFAOYSA-N 1 0 355.236 2.817 20 5 FFBDRO CC[N@@H+]1CC[C@H]1CNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000883609033 733411288 /nfs/dbraw/zinc/41/12/88/733411288.db2.gz MRBTWRUJURRCTD-LBPRGKRZSA-N 1 0 360.336 2.507 20 5 FFBDRO CN(CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])CC1([NH+](C)C)CCC1 ZINC000782644258 738742388 /nfs/dbraw/zinc/74/23/88/738742388.db2.gz WOGBEUJWJNJJTP-UHFFFAOYSA-N 1 0 354.838 2.603 20 5 FFBDRO NC(=O)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000886613764 733809400 /nfs/dbraw/zinc/80/94/00/733809400.db2.gz DSANRCMTMRVISL-WFASDCNBSA-N 1 0 357.332 2.858 20 5 FFBDRO Cc1sc(-c2ccc([N+](=O)[O-])cc2)nc1-c1cn(CC2C[NH2+]C2)nn1 ZINC000887403940 733922745 /nfs/dbraw/zinc/92/27/45/733922745.db2.gz NYSPATYBONOQLK-UHFFFAOYSA-N 1 0 356.411 2.505 20 5 FFBDRO CCC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])c(OCC)c2)C1 ZINC000888834672 734103847 /nfs/dbraw/zinc/10/38/47/734103847.db2.gz NIAFELPEYCXJAV-ZDUSSCGKSA-N 1 0 350.419 2.847 20 5 FFBDRO CCOc1cc(NC(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)ccc1[N+](=O)[O-] ZINC000888835003 734104144 /nfs/dbraw/zinc/10/41/44/734104144.db2.gz ZBDUBHOOGLQUCG-CQSZACIVSA-N 1 0 350.419 2.988 20 5 FFBDRO CN1CCC([N@@H+]2CC[C@@H](Nc3nc4ccc([N+](=O)[O-])cc4s3)C2)CC1 ZINC000732804731 734766640 /nfs/dbraw/zinc/76/66/40/734766640.db2.gz DLOMMKCXDSOQNH-GFCCVEGCSA-N 1 0 361.471 2.785 20 5 FFBDRO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000733157929 734794524 /nfs/dbraw/zinc/79/45/24/734794524.db2.gz BAFAIKVWABNSOI-CQSZACIVSA-N 1 0 367.833 2.621 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]CC1CN(C(=O)OC(C)(C)C)C1 ZINC000894237290 734823075 /nfs/dbraw/zinc/82/30/75/734823075.db2.gz IZCXWSMWFOPIQW-UHFFFAOYSA-N 1 0 351.403 2.560 20 5 FFBDRO Cn1nccc1[C@@H]1C[C@@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000894745062 734909262 /nfs/dbraw/zinc/90/92/62/734909262.db2.gz JCZIZVJYKGIPOG-BBRMVZONSA-N 1 0 350.806 2.992 20 5 FFBDRO CC[C@H](C(=O)OCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])[NH+](CC)CC ZINC000741032627 735111880 /nfs/dbraw/zinc/11/18/80/735111880.db2.gz LOULEERQRIEKFC-CYBMUJFWSA-N 1 0 371.821 2.850 20 5 FFBDRO Cn1cc([C@@H](O)C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)cn1 ZINC000742376594 735234828 /nfs/dbraw/zinc/23/48/28/735234828.db2.gz YYDUOYYARNHXBH-INIZCTEOSA-N 1 0 358.423 2.880 20 5 FFBDRO O=[N+]([O-])c1ccc2nc(N3CCC[N@H+](C[C@@H]4CCCO4)CC3)sc2c1 ZINC000748272234 735632307 /nfs/dbraw/zinc/63/23/07/735632307.db2.gz MBHVYEDBRXIMAZ-AWEZNQCLSA-N 1 0 362.455 2.896 20 5 FFBDRO Cn1c(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)nc2cc(Cl)ccc21 ZINC000752077393 735954553 /nfs/dbraw/zinc/95/45/53/735954553.db2.gz KTAJRADGWCMIEH-MRXNPFEDSA-N 1 0 360.801 2.958 20 5 FFBDRO Cc1c(Br)cc(C(=O)NCC[N@H+]2CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000753094462 736036889 /nfs/dbraw/zinc/03/68/89/736036889.db2.gz DLOFZYXKEXBNPK-JTQLQIEISA-N 1 0 370.247 2.880 20 5 FFBDRO COc1cc([C@H](C)[NH2+]CC(C)(C)[C@]2(O)CCCOC2)cc([N+](=O)[O-])c1 ZINC000903203680 736054814 /nfs/dbraw/zinc/05/48/14/736054814.db2.gz MZGFYCDGGNPCHE-UGSOOPFHSA-N 1 0 352.431 2.822 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCOC2CCSCC2)n1 ZINC000903446158 736095840 /nfs/dbraw/zinc/09/58/40/736095840.db2.gz MWKDPLRHWVIGEX-HUUCEWRRSA-N 1 0 354.476 2.777 20 5 FFBDRO C[C@@H]1C[C@H](NC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000755025990 736227729 /nfs/dbraw/zinc/22/77/29/736227729.db2.gz PZBUTWBLJZKKAX-MWLCHTKSSA-N 1 0 371.235 2.962 20 5 FFBDRO O=[N+]([O-])c1cc(Br)ccc1C[NH2+]C[C@H](O)CC1(O)CCCC1 ZINC000905428738 736339491 /nfs/dbraw/zinc/33/94/91/736339491.db2.gz VODAXHPQDGYSQV-CYBMUJFWSA-N 1 0 373.247 2.503 20 5 FFBDRO CC1(C)C[C@@H](C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C(C)(C)O1 ZINC000905619121 736369899 /nfs/dbraw/zinc/36/98/99/736369899.db2.gz KOOULZYDMWFBOL-UONOGXRCSA-N 1 0 352.431 2.518 20 5 FFBDRO CC1(C)C[C@@H](C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C(C)(C)O1 ZINC000905618771 736369935 /nfs/dbraw/zinc/36/99/35/736369935.db2.gz INLCDCNMVJUBCG-ZFWWWQNUSA-N 1 0 352.431 2.518 20 5 FFBDRO CCC[NH+]1CCC(NC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000756915124 736373051 /nfs/dbraw/zinc/37/30/51/736373051.db2.gz ZZTXJVHGYTWCQC-UHFFFAOYSA-N 1 0 354.838 2.922 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]CC(C)(C)NC(=O)OC(C)(C)C ZINC000759157088 736551529 /nfs/dbraw/zinc/55/15/29/736551529.db2.gz JTMGVCGSTNTBHN-UHFFFAOYSA-N 1 0 353.419 2.996 20 5 FFBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)C1 ZINC000906876384 736554688 /nfs/dbraw/zinc/55/46/88/736554688.db2.gz TYLGUKZXSLEJLT-LBPRGKRZSA-N 1 0 366.849 2.634 20 5 FFBDRO NC(=O)[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)Cc1ccc(F)cc1 ZINC000761525298 736743295 /nfs/dbraw/zinc/74/32/95/736743295.db2.gz FJZPYSUTXNEBPV-ZDUSSCGKSA-N 1 0 365.792 2.821 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N[C@@H]2C[C@H]([NH+](C)C)C23CCC3)c1F ZINC000912602921 737323358 /nfs/dbraw/zinc/32/33/58/737323358.db2.gz XLGHSCSPOBDASF-NEPJUHHUSA-N 1 0 353.369 2.784 20 5 FFBDRO C[C@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000912651621 737328133 /nfs/dbraw/zinc/32/81/33/737328133.db2.gz XHWQBLVKBLWEER-NWDGAFQWSA-N 1 0 352.410 2.651 20 5 FFBDRO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC([NH+]2CCC2)CC1 ZINC000912876537 737352235 /nfs/dbraw/zinc/35/22/35/737352235.db2.gz JGEDYWOWHAQEGR-UHFFFAOYSA-N 1 0 368.231 2.668 20 5 FFBDRO Cc1c(Br)cc(C(=O)N2CC[C@@H]([NH+]3CCC3)C2)cc1[N+](=O)[O-] ZINC000912913149 737357329 /nfs/dbraw/zinc/35/73/29/737357329.db2.gz HUHXSXLAUQMUAU-GFCCVEGCSA-N 1 0 368.231 2.586 20 5 FFBDRO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000768712656 737451857 /nfs/dbraw/zinc/45/18/57/737451857.db2.gz REZJFICAXLRJRX-AWEZNQCLSA-N 1 0 367.833 2.621 20 5 FFBDRO Cc1cc(NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])nc(N)[nH+]1 ZINC000914570963 737584391 /nfs/dbraw/zinc/58/43/91/737584391.db2.gz SCTGWHHHWICNQM-UHFFFAOYSA-N 1 0 356.308 2.818 20 5 FFBDRO CS[C@H]1CN(c2cc(Br)ccc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000774536114 737998699 /nfs/dbraw/zinc/99/86/99/737998699.db2.gz IPRCITZOPYEYHJ-OLZOCXBDSA-N 1 0 360.277 2.839 20 5 FFBDRO C[NH+](C)CC1CCN(Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)CC1 ZINC000774636123 738007878 /nfs/dbraw/zinc/00/78/78/738007878.db2.gz LTSUGJWTVOHOJT-UHFFFAOYSA-N 1 0 351.838 2.829 20 5 FFBDRO C[N@@H+]1CCC[C@@H]2CN(Cn3ncc4cc([N+](=O)[O-])cc(Cl)c43)CC[C@H]21 ZINC000774640383 738008763 /nfs/dbraw/zinc/00/87/63/738008763.db2.gz RXUYTFNSPRDOGN-MLGOLLRUSA-N 1 0 363.849 2.972 20 5 FFBDRO CS(=O)(=O)C1CCC(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000922418792 738142208 /nfs/dbraw/zinc/14/22/08/738142208.db2.gz CAQAROYNLWKSJU-UHFFFAOYSA-N 1 0 360.863 2.941 20 5 FFBDRO CSc1cccc(C(=O)OC[C@@H]2C[N@H+](CC(C)C)CCO2)c1[N+](=O)[O-] ZINC000777316323 738278176 /nfs/dbraw/zinc/27/81/76/738278176.db2.gz XRVDIFPTHJRICG-ZDUSSCGKSA-N 1 0 368.455 2.830 20 5 FFBDRO [NH3+][C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2Br)C[C@H]1C(F)(F)F ZINC000923430736 738282825 /nfs/dbraw/zinc/28/28/25/738282825.db2.gz JUHUWSYLDARRFF-MWLCHTKSSA-N 1 0 368.153 2.679 20 5 FFBDRO C[C@@H](NC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12)c1ccccc1[N+](=O)[O-] ZINC000923982871 738352922 /nfs/dbraw/zinc/35/29/22/738352922.db2.gz IYJPYGBXHDGTAL-INWMFGNUSA-N 1 0 364.471 2.535 20 5 FFBDRO CC[NH+](CC)C[C@H](C)NS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000784721091 738914585 /nfs/dbraw/zinc/91/45/85/738914585.db2.gz GAMXPGVRGWDRRT-NSHDSACASA-N 1 0 363.867 2.565 20 5 FFBDRO CCN(CCC[NH+](CC)CC)C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000788537150 739256117 /nfs/dbraw/zinc/25/61/17/739256117.db2.gz SGXPHTWXHYYPTD-UHFFFAOYSA-N 1 0 365.459 2.794 20 5 FFBDRO C[C@@H](CNC(=O)OC(C)(C)C)C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788673296 739270746 /nfs/dbraw/zinc/27/07/46/739270746.db2.gz VMKLCVCFYDGIJV-NEPJUHHUSA-N 1 0 352.435 2.988 20 5 FFBDRO C[C@@]1([C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3[N+](=O)[O-])C2)COC(=O)N1 ZINC000932024294 739376066 /nfs/dbraw/zinc/37/60/66/739376066.db2.gz IEMTYIBALDGTQC-WBMJQRKESA-N 1 0 353.806 2.959 20 5 FFBDRO Cc1c([N+](=O)[O-])ccc(F)c1NS(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000789737681 739383895 /nfs/dbraw/zinc/38/38/95/739383895.db2.gz HDYFJVZEVWNWEX-UHFFFAOYSA-N 1 0 367.402 2.905 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(c2nc3c(s2)CCC3)CC1 ZINC000932617642 739479416 /nfs/dbraw/zinc/47/94/16/739479416.db2.gz RLWYZIWTTRFADO-UHFFFAOYSA-N 1 0 361.471 2.925 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)[C@@H](C)C1 ZINC000933437410 739625228 /nfs/dbraw/zinc/62/52/28/739625228.db2.gz CJRZSJOAEAPYBI-CABZTGNLSA-N 1 0 372.828 2.772 20 5 FFBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)CCc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000933798679 739691300 /nfs/dbraw/zinc/69/13/00/739691300.db2.gz RPVXMHXMBCAFMU-CYBMUJFWSA-N 1 0 353.850 2.981 20 5 FFBDRO CCOC(=O)C1([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCOCC1 ZINC000933881025 739700503 /nfs/dbraw/zinc/70/05/03/739700503.db2.gz HEDVJVITDJKHNI-LBPRGKRZSA-N 1 0 354.378 2.572 20 5 FFBDRO O=C(C[N@H+]1CCCCC[C@@H]1CCO)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000792926870 739719586 /nfs/dbraw/zinc/71/95/86/739719586.db2.gz OIEPSTJTDVZZHS-CYBMUJFWSA-N 1 0 355.822 2.814 20 5 FFBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])C[C@@H]2C1 ZINC000793928658 739827034 /nfs/dbraw/zinc/82/70/34/739827034.db2.gz UJJMHXZBCJQPBN-NEPJUHHUSA-N 1 0 369.874 2.750 20 5 FFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(CN=[S@@](C)(=O)N(C)C)CC1 ZINC000934752716 739832177 /nfs/dbraw/zinc/83/21/77/739832177.db2.gz AHQDHAZWIPNOII-DLUDVSRJSA-N 1 0 368.503 2.942 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000799235197 740401427 /nfs/dbraw/zinc/40/14/27/740401427.db2.gz VARYVNKWEPXILV-CYBMUJFWSA-N 1 0 350.419 2.989 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H]2Cc3ccc(Cl)cc3C2)c1 ZINC000800399633 740519249 /nfs/dbraw/zinc/51/92/49/740519249.db2.gz DDDMPRSCWDIGIF-DOTOQJQBSA-N 1 0 362.813 2.745 20 5 FFBDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3ccc(Cl)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000808447404 741226360 /nfs/dbraw/zinc/22/63/60/741226360.db2.gz PXNIZXLHBXGYCE-DZKIICNBSA-N 1 0 351.834 2.985 20 5 FFBDRO CN(CC[N@H+](C)C1CCN(C)CC1)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809734942 741337911 /nfs/dbraw/zinc/33/79/11/741337911.db2.gz UCHAKRYLKIYCFT-UHFFFAOYSA-N 1 0 354.882 2.706 20 5 FFBDRO COCCC[N@H+](C)CCNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811482183 741528160 /nfs/dbraw/zinc/52/81/60/741528160.db2.gz HAGJGGFOMSKDSG-UHFFFAOYSA-N 1 0 350.246 2.960 20 5 FFBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000811502536 741530640 /nfs/dbraw/zinc/53/06/40/741530640.db2.gz XEJRNFMNUDHIIQ-GOSISDBHSA-N 1 0 351.422 2.808 20 5 FFBDRO C[N@@H+]1CCC[C@@]2(CCN(CC(=O)Nc3cc(Cl)ccc3[N+](=O)[O-])C2)C1 ZINC000815145704 741906854 /nfs/dbraw/zinc/90/68/54/741906854.db2.gz CDIIHXXUYJFURU-QGZVFWFLSA-N 1 0 366.849 2.604 20 5 FFBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@H](O)COc2ccccc2F)c1 ZINC000819148820 742344128 /nfs/dbraw/zinc/34/41/28/742344128.db2.gz FIHAZNCCRLKHPQ-ZDUSSCGKSA-N 1 0 354.765 2.917 20 5 FFBDRO C[C@@H](CCNC(=O)OC(C)(C)C)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819215323 742355373 /nfs/dbraw/zinc/35/53/73/742355373.db2.gz XTNYNKUSUCULFG-WFASDCNBSA-N 1 0 353.419 2.521 20 5 FFBDRO CC[C@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)NC(=O)OC(C)(C)C ZINC000819340925 742378360 /nfs/dbraw/zinc/37/83/60/742378360.db2.gz AUKXPTZJXJNUJZ-UKRRQHHQSA-N 1 0 353.419 2.521 20 5 FFBDRO C[NH+](C)CC1(C(=O)N[C@H](c2cccc([N+](=O)[O-])c2F)C(F)(F)F)CC1 ZINC000823594636 742942196 /nfs/dbraw/zinc/94/21/96/742942196.db2.gz VHYHTHDOVFZNJU-GFCCVEGCSA-N 1 0 363.311 2.795 20 5 FFBDRO Cn1nccc1[C@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CCO1 ZINC000825046821 743201249 /nfs/dbraw/zinc/20/12/49/743201249.db2.gz YGWALANRRUUZDW-MLGOLLRUSA-N 1 0 350.806 2.992 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N2CCC(CC[NH+](C)C)CC2)c1F ZINC000827549909 743599404 /nfs/dbraw/zinc/59/94/04/743599404.db2.gz XYGCQFFILPIPQR-UHFFFAOYSA-N 1 0 355.385 2.985 20 5 FFBDRO C[N@@H+]1CCN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)CCC1(C)C ZINC000828299759 745052601 /nfs/dbraw/zinc/05/26/01/745052601.db2.gz KMOIZUIGONMWMY-UHFFFAOYSA-N 1 0 358.801 2.526 20 5 FFBDRO CO[C@]1(C)C[C@H]([NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1(C)C ZINC000831347648 745518109 /nfs/dbraw/zinc/51/81/09/745518109.db2.gz BZIGMLACCFNNBD-WMLDXEAASA-N 1 0 353.394 2.856 20 5 FFBDRO CC[N@H+](CCNC(=O)c1cc([N+](=O)[O-])ccc1F)CCC(F)(F)F ZINC000834400669 745831414 /nfs/dbraw/zinc/83/14/14/745831414.db2.gz ZZHFEMDWSKSMRF-UHFFFAOYSA-N 1 0 351.300 2.738 20 5 FFBDRO O=C(CC[N@@H+]1CCO[C@H](C2CCC2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000839622247 746874088 /nfs/dbraw/zinc/87/40/88/746874088.db2.gz AXKQBXBEZIPQFQ-INIZCTEOSA-N 1 0 351.378 2.563 20 5 FFBDRO NC(=O)[C@]1(c2ccccc2)CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000839640390 746878738 /nfs/dbraw/zinc/87/87/38/746878738.db2.gz KWAIYXYYHZBVAR-GOSISDBHSA-N 1 0 359.813 2.877 20 5 FFBDRO C[NH+](C)CC(C)(C)CNC(=S)NNc1cc(Cl)ccc1[N+](=O)[O-] ZINC000840789709 747184153 /nfs/dbraw/zinc/18/41/53/747184153.db2.gz NJCSIQBFMAKEDO-UHFFFAOYSA-N 1 0 359.883 2.627 20 5 FFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCS(=O)(=O)C1CC1 ZINC000840879532 747210619 /nfs/dbraw/zinc/21/06/19/747210619.db2.gz PXLZIEYIPZKRPO-GFCCVEGCSA-N 1 0 358.485 2.632 20 5 FFBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000841321147 747316422 /nfs/dbraw/zinc/31/64/22/747316422.db2.gz AQMURGYYPLTGRI-UHFFFAOYSA-N 1 0 361.789 2.611 20 5 FFBDRO CO[C@@H](CC(C)C)C(=O)O[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000842367044 747580652 /nfs/dbraw/zinc/58/06/52/747580652.db2.gz RYZHWXIUKZWXBJ-IRXDYDNUSA-N 1 0 350.415 2.773 20 5 FFBDRO O=C(CN1CCCC[C@H]1[C@H]1CC[NH2+]C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000842474513 747612555 /nfs/dbraw/zinc/61/25/55/747612555.db2.gz UMKBJGUQWPCUOE-WFASDCNBSA-N 1 0 366.849 2.651 20 5 FFBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000843387595 747822108 /nfs/dbraw/zinc/82/21/08/747822108.db2.gz UKZGEFJEDRMURA-RWMBFGLXSA-N 1 0 366.849 2.507 20 5 FFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1cnn(C2CC[NH2+]CC2)c1 ZINC000843457159 747839787 /nfs/dbraw/zinc/83/97/87/747839787.db2.gz IUCINRGFSXEQME-UHFFFAOYSA-N 1 0 363.805 2.550 20 5 FFBDRO CCCN(C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])[C@H]1CC[N@H+](C)C1 ZINC000843990977 747946281 /nfs/dbraw/zinc/94/62/81/747946281.db2.gz ZQFCNMZEDJQDRS-LBPRGKRZSA-N 1 0 357.813 2.873 20 5 FFBDRO CN(CC[NH+]1CCCCC1)C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000846613546 748512797 /nfs/dbraw/zinc/51/27/97/748512797.db2.gz HDVUUMXCRSHZBD-UHFFFAOYSA-N 1 0 357.813 2.874 20 5 FFBDRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)C2)C1 ZINC000846719372 748529287 /nfs/dbraw/zinc/52/92/87/748529287.db2.gz WQBMTHDTTVGMNF-XJKCOSOUSA-N 1 0 367.833 2.607 20 5 FFBDRO C[N@@H+]1CC[C@@H](CCOC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000847825213 748790771 /nfs/dbraw/zinc/79/07/71/748790771.db2.gz PJVPZVFQOJHYKY-JTQLQIEISA-N 1 0 357.204 2.856 20 5 FFBDRO C[C@H]([NH2+]CC1(S(C)(=O)=O)CCCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850531699 749382808 /nfs/dbraw/zinc/38/28/08/749382808.db2.gz MPMHUTZJQYVXLX-LBPRGKRZSA-N 1 0 355.460 2.575 20 5 FFBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@@H](C1CC1)C1(CO)CCOCC1 ZINC000852285089 749824111 /nfs/dbraw/zinc/82/41/11/749824111.db2.gz ZQEJFEJXKOMBOG-INIZCTEOSA-N 1 0 354.834 2.906 20 5 FFBDRO CC(C)[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)[C@H](O)c1ccc(Cl)cc1 ZINC000852731653 749937255 /nfs/dbraw/zinc/93/72/55/749937255.db2.gz LJAVJKZLQYLNQS-HZPDHXFCSA-N 1 0 352.822 2.793 20 5 FFBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)c1cc2c(s1)CC[NH2+]C2 ZINC000852814727 749959679 /nfs/dbraw/zinc/95/96/79/749959679.db2.gz OFMYBBABTMSICO-UHFFFAOYSA-N 1 0 351.815 2.885 20 5 FFBDRO O=C1CCC2=C(CCN(Cn3c4cc([N+](=O)[O-])ccc4oc3=S)C2)N1 ZINC000853520745 750081515 /nfs/dbraw/zinc/08/15/15/750081515.db2.gz SSZJHFUZGFHYOX-UHFFFAOYSA-N 1 0 360.395 2.699 20 5 FFBDRO C[NH+](C)CCC[C@@H]1CN(c2nc3ccc([N+](=O)[O-])cc3s2)CCO1 ZINC000853990097 750220478 /nfs/dbraw/zinc/22/04/78/750220478.db2.gz IQXLTWASGHBJMA-CYBMUJFWSA-N 1 0 350.444 2.752 20 5 FFBDRO COc1ccc([C@H]([NH2+]C(C)C)C(=O)NCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000895798644 970965631 /nfs/dbraw/zinc/96/56/31/970965631.db2.gz IUFGBJKPBBKVRG-SFHVURJKSA-N 1 0 357.410 2.959 20 5 FFBDRO Cn1cc(C[N@@H+]2CC[C@H]([C@H]3CCCO3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000895843988 970992284 /nfs/dbraw/zinc/99/22/84/970992284.db2.gz KWTSVFZGLBPDMO-MAUKXSAKSA-N 1 0 356.426 2.996 20 5 FFBDRO Cc1nn(CN(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(C)c1[N+](=O)[O-] ZINC000173514160 971162820 /nfs/dbraw/zinc/16/28/20/971162820.db2.gz WCDZVPNSPZYERJ-SFHVURJKSA-N 1 0 357.458 2.820 20 5 FFBDRO Cc1cc(N2CCC3(CC2)C[C@@H](O)CCO3)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000896575514 971595136 /nfs/dbraw/zinc/59/51/36/971595136.db2.gz ROIHCLOCAFWWLZ-HNNXBMFYSA-N 1 0 357.410 2.962 20 5 FFBDRO C[C@H]1CCCC[N@@H+]1CCCNc1cc([N+](=O)[O-])cc(Br)[n+]1[O-] ZINC001167753144 971721138 /nfs/dbraw/zinc/72/11/38/971721138.db2.gz LIRXDSOXYUABEF-NSHDSACASA-N 1 0 373.251 2.667 20 5 FFBDRO CC1(c2ccc(C[NH2+]C[C@@H](O)c3cccc([N+](=O)[O-])c3)cc2)OCCO1 ZINC000872220832 1013184318 /nfs/dbraw/zinc/18/43/18/1013184318.db2.gz SEZWAVWZLCTWQA-GOSISDBHSA-N 1 0 358.394 2.638 20 5 FFBDRO O=C(Cc1cccc(F)c1[N+](=O)[O-])N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000866846362 958885373 /nfs/dbraw/zinc/88/53/73/958885373.db2.gz CSLFNZWWYZZHSD-YOEHRIQHSA-N 1 0 361.417 2.752 20 5 FFBDRO C[C@@H]1C[C@H](NC(=O)COc2ccccc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000134885631 960093424 /nfs/dbraw/zinc/09/34/24/960093424.db2.gz WMJVYVJVXGRZTG-WBVHZDCISA-N 1 0 369.421 2.753 20 5 FFBDRO Cc1c(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000175828950 961794711 /nfs/dbraw/zinc/79/47/11/961794711.db2.gz KEMKIDDXVAPDHN-GFCCVEGCSA-N 1 0 366.418 2.826 20 5 FFBDRO COc1ccc(Cn2cc(C[NH2+]CCc3cccc([N+](=O)[O-])c3)nn2)cc1 ZINC000873099097 1013385141 /nfs/dbraw/zinc/38/51/41/1013385141.db2.gz YBWJGULVLHOIHK-UHFFFAOYSA-N 1 0 367.409 2.576 20 5 FFBDRO C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C[C@@H]1CCN1C(=O)OC(C)(C)C ZINC000933468063 964429638 /nfs/dbraw/zinc/42/96/38/964429638.db2.gz QBKRQZHXFJPANS-HOTGVXAUSA-N 1 0 365.430 2.569 20 5 FFBDRO C[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C2(CCCCC2)C1 ZINC000176237567 965591080 /nfs/dbraw/zinc/59/10/80/965591080.db2.gz JKBRDPMFQIBZMU-UHFFFAOYSA-N 1 0 362.386 2.594 20 5 FFBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2ccc(C3CCCC3)cc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000983655623 965675717 /nfs/dbraw/zinc/67/57/17/965675717.db2.gz UCIWWAJRJGPTSL-HUYLIWGRSA-N 1 0 371.481 2.994 20 5 FFBDRO COc1nc(SC)nc(N2C(C)(C)CC([NH3+])CC2(C)C)c1[N+](=O)[O-] ZINC001167626070 967030183 /nfs/dbraw/zinc/03/01/83/967030183.db2.gz WHVDSTJWQAOGAQ-UHFFFAOYSA-N 1 0 355.464 2.600 20 5 FFBDRO C[C@@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccc2c(c1)CCO2 ZINC001176629158 1013738889 /nfs/dbraw/zinc/73/88/89/1013738889.db2.gz FTRROSVJAJBTAV-CYBMUJFWSA-N 1 0 367.405 2.770 20 5 FFBDRO CCC[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ccc(C(C)(C)C)cc1 ZINC001267314110 967819672 /nfs/dbraw/zinc/81/96/72/967819672.db2.gz ITUGVWXJYKUYJO-QZTJIDSGSA-N 1 0 361.486 2.978 20 5 FFBDRO Cc1nc(NC(=O)/C=C\c2ccc(OCC[NH+](C)C)cc2)ccc1[N+](=O)[O-] ZINC000785177511 968090306 /nfs/dbraw/zinc/09/03/06/968090306.db2.gz MSCADSJRFQUKPQ-WDZFZDKYSA-N 1 0 370.409 2.891 20 5 FFBDRO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000050901258 968103983 /nfs/dbraw/zinc/10/39/83/968103983.db2.gz KIGRZDVNIPSQNU-CABCVRRESA-N 1 0 373.457 2.919 20 5 FFBDRO C[C@H](NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)C1([NH+]2CCOCC2)CCCC1 ZINC000255695014 968659712 /nfs/dbraw/zinc/65/97/12/968659712.db2.gz GOVCIQXTQALBQK-HWYHOQROSA-N 1 0 373.453 2.758 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)c2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])C[C@H]1C ZINC000892642116 969676676 /nfs/dbraw/zinc/67/66/76/969676676.db2.gz MCCIZUKRRRHABF-ZIAGYGMSSA-N 1 0 358.442 2.756 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC001267590851 969689315 /nfs/dbraw/zinc/68/93/15/969689315.db2.gz LGSSUGDVDBNSHU-ACJLOTCBSA-N 1 0 354.410 2.549 20 5 FFBDRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000874850092 1013918295 /nfs/dbraw/zinc/91/82/95/1013918295.db2.gz NVRIIWQFORTVQY-RDJZCZTQSA-N 1 0 358.442 2.504 20 5 FFBDRO C[C@H](CNC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)c1ccccc1[N+](=O)[O-] ZINC000897060945 973205240 /nfs/dbraw/zinc/20/52/40/973205240.db2.gz DOSMQOGNWVHTEB-INMHGKMJSA-N 1 0 360.458 2.824 20 5 FFBDRO CCC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])[C@H](C)C(=O)Nc1ccccc1 ZINC001168074378 974186115 /nfs/dbraw/zinc/18/61/15/974186115.db2.gz RHECGGVEZBMMPU-CQSZACIVSA-N 1 0 359.430 2.839 20 5 FFBDRO Cc1ccccc1CCC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC000981763789 976764511 /nfs/dbraw/zinc/76/45/11/976764511.db2.gz LFPBTNPFYPOEFW-RTBURBONSA-N 1 0 371.481 2.517 20 5 FFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CCC[N@H+](Cc1cc3ccccc3o1)C2 ZINC000981764999 976764893 /nfs/dbraw/zinc/76/48/93/976764893.db2.gz MNBVYCZJFZOEJD-IAGOWNOFSA-N 1 0 369.421 2.522 20 5 FFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@@H]3CCN(c4ccc(F)cc4F)C3)C2)c1 ZINC000877014309 1014448903 /nfs/dbraw/zinc/44/89/03/1014448903.db2.gz VQZTUVDBKKIHKE-IYXRBSQSSA-N 1 0 363.368 2.642 20 5 FFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@@H]3CCCN(Cc4ccccc4)C3)C2)c1 ZINC000877068575 1014468117 /nfs/dbraw/zinc/46/81/17/1014468117.db2.gz RXPFEDXXUNOWRA-WWDZGPRUSA-N 1 0 355.442 2.749 20 5 FFBDRO Cc1ccc(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)c(O[C@@H]2CCOC2)c1 ZINC000877087811 1014473193 /nfs/dbraw/zinc/47/31/93/1014473193.db2.gz STIJRESUIWEDAV-LEOMRAHMSA-N 1 0 372.425 2.761 20 5 FFBDRO CNc1nccc(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCCCC2)c1[N+](=O)[O-] ZINC001152053958 1032092794 /nfs/dbraw/zinc/09/27/94/1032092794.db2.gz ZFCSBAMVMSOLKL-AWEZNQCLSA-N 1 0 361.446 2.558 20 5 FFBDRO O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877282355 1014536313 /nfs/dbraw/zinc/53/63/13/1014536313.db2.gz DHPZOGNXQVUHQU-FXAWDEMLSA-N 1 0 361.445 2.508 20 5 FFBDRO C[C@@H](NC(=O)N1CCN(c2cc[nH+]cc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000925223042 979476311 /nfs/dbraw/zinc/47/63/11/979476311.db2.gz GKWJYVMXZMROET-CQSZACIVSA-N 1 0 355.398 2.583 20 5 FFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@@H](O)c3ccc(C(F)(F)F)cc3)C2)c1 ZINC000877534094 1014616853 /nfs/dbraw/zinc/61/68/53/1014616853.db2.gz XRXZKGZRMFPLMI-SSDMNJCBSA-N 1 0 370.331 2.837 20 5 FFBDRO Cc1cc(NC2CC(n3cc([N+](=O)[O-])cn3)C2)ccc1OCC[NH+](C)C ZINC000877584166 1014634821 /nfs/dbraw/zinc/63/48/21/1014634821.db2.gz CZNUAIBDWHCILV-UHFFFAOYSA-N 1 0 359.430 2.856 20 5 FFBDRO C[C@]1(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CCOC2(CCC2)C1 ZINC000905493128 980457461 /nfs/dbraw/zinc/45/74/61/980457461.db2.gz RMHNHKCQJKLWAP-YJBOKZPZSA-N 1 0 364.442 2.664 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CC[C@@H]2OCCc3ccccc32)c1 ZINC000905627333 980475204 /nfs/dbraw/zinc/47/52/04/980475204.db2.gz YYPCPVQSSJQSLU-XLIONFOSSA-N 1 0 372.421 2.628 20 5 FFBDRO COc1cc(CC[NH2+]C[C@@H](O)c2cccc(C)c2)c([N+](=O)[O-])cc1OC ZINC000905891704 980534533 /nfs/dbraw/zinc/53/45/33/980534533.db2.gz KMRRPIJCBGEGPT-QGZVFWFLSA-N 1 0 360.410 2.786 20 5 FFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@H](CO)c3cccc(C(F)(F)F)c3)C2)c1 ZINC000877664512 1014666123 /nfs/dbraw/zinc/66/61/23/1014666123.db2.gz SKRVASKPHHAMGT-SSDMNJCBSA-N 1 0 370.331 2.837 20 5 FFBDRO CN1Cc2ccccc2[C@H]1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000877733474 1014702598 /nfs/dbraw/zinc/70/25/98/1014702598.db2.gz SQHDIWIMAVKVKL-LJQANCHMSA-N 1 0 367.453 2.735 20 5 FFBDRO Cc1cccc2c1CCN([C@H]1CC(=O)N(c3cccc([N+](=O)[O-])c3)C1=O)C2 ZINC000729679932 981285600 /nfs/dbraw/zinc/28/56/00/981285600.db2.gz VMVSOHPDFGZVQB-SFHVURJKSA-N 1 0 365.389 2.593 20 5 FFBDRO Cn1cc([N+](=O)[O-])c(C(=O)OC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)n1 ZINC000780396828 981290534 /nfs/dbraw/zinc/29/05/34/981290534.db2.gz DPBPYQAFNXKJGO-GOSISDBHSA-N 1 0 358.398 2.540 20 5 FFBDRO COc1cc(C[N@H+]2C[C@@H](Cc3ccccc3)[C@H](O)C2)c([N+](=O)[O-])cc1OC ZINC000898141956 982625930 /nfs/dbraw/zinc/62/59/30/982625930.db2.gz GWVPVYZZAGLDJX-SJLPKXTDSA-N 1 0 372.421 2.647 20 5 FFBDRO O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CCC([NH+]2CCC2)CC1 ZINC000912875165 984136531 /nfs/dbraw/zinc/13/65/31/984136531.db2.gz UBTDPNPSUSHKCL-UHFFFAOYSA-N 1 0 361.445 2.992 20 5 FFBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC(C)([NH+](C)C)CC2)cc1OC ZINC000913400767 984255874 /nfs/dbraw/zinc/25/58/74/984255874.db2.gz VLMKDGIVKFTPBR-UHFFFAOYSA-N 1 0 365.430 2.558 20 5 FFBDRO CN(c1ccc2ncccc2c1[N+](=O)[O-])[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000764144209 984314138 /nfs/dbraw/zinc/31/41/38/984314138.db2.gz WGSDXLCGQUABLB-MRXNPFEDSA-N 1 0 369.469 2.748 20 5 FFBDRO CCO[C@@H]1C[C@H]([N@H+](C)Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1(C)C ZINC000156448266 984332984 /nfs/dbraw/zinc/33/29/84/984332984.db2.gz PGTGQOLTQUKYKZ-JKSUJKDBSA-N 1 0 359.430 2.946 20 5 FFBDRO Cn1cc(C[NH2+]C[C@H](O)c2cccc(F)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000171051499 985208728 /nfs/dbraw/zinc/20/87/28/985208728.db2.gz FXSQPNHUQMZBHP-SFHVURJKSA-N 1 0 370.384 2.958 20 5 FFBDRO C[C@@H]1CN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)CC[N@@H+](C2CCC2)C1 ZINC000878644460 1015148542 /nfs/dbraw/zinc/14/85/42/1015148542.db2.gz WGXUECHHPIZZKG-CQSZACIVSA-N 1 0 371.441 2.951 20 5 FFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(C[NH2+]Cc2ccc3ccccc3c2)CC1 ZINC000997776310 985736371 /nfs/dbraw/zinc/73/63/71/985736371.db2.gz MILLUGMLJDUTOU-WOJBJXKFSA-N 1 0 367.449 2.833 20 5 FFBDRO C[NH+](C)[C@H](CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C1CCCCC1 ZINC000063804244 986075464 /nfs/dbraw/zinc/07/54/64/986075464.db2.gz QPUMTCGELBUZCX-MRXNPFEDSA-N 1 0 364.402 2.743 20 5 FFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC1(O)CCC2(CC1)OCCO2 ZINC000922624777 988757173 /nfs/dbraw/zinc/75/71/73/988757173.db2.gz TXNQTYIEKAAKMA-PTNGSMBKSA-N 1 0 362.426 2.636 20 5 FFBDRO C[NH+](C)CC[C@@H](NCc1cc2c(cc1[N+](=O)[O-])OCCO2)c1cccnc1 ZINC000922631136 988769063 /nfs/dbraw/zinc/76/90/63/988769063.db2.gz JLAMFOAXHOMPBN-MRXNPFEDSA-N 1 0 372.425 2.544 20 5 FFBDRO COc1cc(CN[C@@H](CC[NH+](C)C)c2cccnc2)c([N+](=O)[O-])cc1OC ZINC000922631155 988769273 /nfs/dbraw/zinc/76/92/73/988769273.db2.gz JRGUGXUXFCRENZ-INIZCTEOSA-N 1 0 374.441 2.790 20 5 FFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@](C)(O)c1ccccc1 ZINC000765999478 988889317 /nfs/dbraw/zinc/88/93/17/988889317.db2.gz UPXKLHXNKCKZLY-KUHUBIRLSA-N 1 0 357.410 2.809 20 5 FFBDRO Cc1ccc(C[NH2+]Cc2ccc(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cc2)cc1 ZINC001034815657 990275080 /nfs/dbraw/zinc/27/50/80/990275080.db2.gz AKHPLSYZELQASC-RTBURBONSA-N 1 0 353.422 2.566 20 5 FFBDRO Cc1cc(F)ccc1C[NH2+]Cc1ccc(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001034816962 990277675 /nfs/dbraw/zinc/27/76/75/990277675.db2.gz XCIHSPPZPOQVHR-RTBURBONSA-N 1 0 371.412 2.705 20 5 FFBDRO COc1ccc([C@H]2CN(Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)CC[NH2+]2)cc1 ZINC000879520753 1015571527 /nfs/dbraw/zinc/57/15/27/1015571527.db2.gz DLWZWCNIRLWONY-GOSISDBHSA-N 1 0 367.409 2.626 20 5 FFBDRO C[NH+]1CCN(Cc2cccc(NC(=O)c3cc([N+](=O)[O-])ccc3F)c2)CC1 ZINC000920017531 990781428 /nfs/dbraw/zinc/78/14/28/990781428.db2.gz KFYJOTYMDYWZBW-UHFFFAOYSA-N 1 0 372.400 2.734 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H](O)CN(Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)c1 ZINC000923337156 991075349 /nfs/dbraw/zinc/07/53/49/991075349.db2.gz XFRKRKIIGGDCJM-UYAOXDASSA-N 1 0 370.453 2.668 20 5 FFBDRO Cc1cc(C[NH2+]CC2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCCCC2)cs1 ZINC001485450548 991943523 /nfs/dbraw/zinc/94/35/23/991943523.db2.gz JSJSQOCOPVSFOK-HUUCEWRRSA-N 1 0 351.472 2.630 20 5 FFBDRO CC(C)[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1nncn1C ZINC000809691515 994569402 /nfs/dbraw/zinc/56/94/02/994569402.db2.gz IZHXJCIOOAFDSZ-KRWDZBQOSA-N 1 0 358.446 2.679 20 5 FFBDRO [NH3+]CCN(Cc1ccc(Cl)cc1-n1cncn1)c1ccc([N+](=O)[O-])cc1 ZINC000809734557 994585469 /nfs/dbraw/zinc/58/54/69/994585469.db2.gz HJFYUXCBKLTSSJ-UHFFFAOYSA-N 1 0 372.816 2.794 20 5 FFBDRO O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])O[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000810845911 994950808 /nfs/dbraw/zinc/95/08/08/994950808.db2.gz WBJPRYXIYDMPRV-ZFWWWQNUSA-N 1 0 363.370 2.606 20 5 FFBDRO [NH3+]CCN(c1ncnc2[nH]cc([N+](=O)[O-])c21)C12CC3CC(CC(C3)C1)C2 ZINC001170631333 995094146 /nfs/dbraw/zinc/09/41/46/995094146.db2.gz TVPMRNTWEKOZAH-UHFFFAOYSA-N 1 0 356.430 2.600 20 5 FFBDRO O=[N+]([O-])c1cn(C[N@@H+]2CCC[C@@H]([C@H]3CCOC3)C2)nc1-c1ccncc1 ZINC000747828591 995573825 /nfs/dbraw/zinc/57/38/25/995573825.db2.gz GVNYXLPGNJUNNK-CVEARBPZSA-N 1 0 357.414 2.559 20 5 FFBDRO CCOc1cc(NC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000888833095 1015959089 /nfs/dbraw/zinc/95/90/89/1015959089.db2.gz VLIKMHDAGUREIX-CQSZACIVSA-N 1 0 362.430 2.943 20 5 FFBDRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC001133729264 995676125 /nfs/dbraw/zinc/67/61/25/995676125.db2.gz TWLGXHKYYNPLMS-NFBGWVBBSA-N 1 0 352.394 2.740 20 5 FFBDRO Nc1ccc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1[N+](=O)[O-] ZINC000823972904 996769855 /nfs/dbraw/zinc/76/98/55/996769855.db2.gz BEFQSXRBSWAFPD-BLLLJJGKSA-N 1 0 359.430 2.658 20 5 FFBDRO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000823990010 996772982 /nfs/dbraw/zinc/77/29/82/996772982.db2.gz GAUQQLSNMNVWAT-RBUKOAKNSA-N 1 0 369.421 2.582 20 5 FFBDRO Cc1ccc2c(C[C@@H](C)[NH3+])cn(-c3ccc([N+](=O)[O-])c4c3CNC4=O)c2c1 ZINC001171167721 998400192 /nfs/dbraw/zinc/40/01/92/998400192.db2.gz LSLXHUHIGNGZPE-GFCCVEGCSA-N 1 0 364.405 2.980 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@H]1COC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000845735438 998641429 /nfs/dbraw/zinc/64/14/29/998641429.db2.gz XKSWZXMXBVWZNW-ZDUSSCGKSA-N 1 0 358.398 2.810 20 5 FFBDRO C[C@H](OC(=O)CC[C@H]1CCCC[N@@H+]1C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000803856270 1016245496 /nfs/dbraw/zinc/24/54/96/1016245496.db2.gz OCICYLSQOLAGDK-DZGCQCFKSA-N 1 0 363.414 2.730 20 5 FFBDRO C[C@H](OC(=O)CC[C@H]1CCCC[N@@H+]1C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000803859748 1016248690 /nfs/dbraw/zinc/24/86/90/1016248690.db2.gz VQSNJIRZDMNBQP-UONOGXRCSA-N 1 0 363.414 2.730 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2cnn(CN3CC[C@H](C[NH+]4CCCC4)C3)c2)cc1 ZINC000739876502 999655139 /nfs/dbraw/zinc/65/51/39/999655139.db2.gz UBTAKLCTJGLMAL-MRXNPFEDSA-N 1 0 355.442 2.834 20 5 FFBDRO C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CC[N@@H+]1C ZINC000741724496 999738773 /nfs/dbraw/zinc/73/87/73/999738773.db2.gz MRHRSZXEYXGMSZ-LSDHHAIUSA-N 1 0 360.458 2.798 20 5 FFBDRO Cc1cc([C@@](C)(O)C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c(C)o1 ZINC000742374081 999772407 /nfs/dbraw/zinc/77/24/07/999772407.db2.gz IDEIOYSUGNHLIG-SFHVURJKSA-N 1 0 362.382 2.573 20 5 FFBDRO O=C1CN(C[N@@H+]2CCC3(CCCC3)C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000743389414 999816478 /nfs/dbraw/zinc/81/64/78/999816478.db2.gz AVLNIMOEKYUWRW-UHFFFAOYSA-N 1 0 358.398 2.587 20 5 FFBDRO COc1ccc(OCCOC(=O)[C@H](C(C)C)[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000745089767 999891579 /nfs/dbraw/zinc/89/15/79/999891579.db2.gz TUUMZLYCHLDQIR-KRWDZBQOSA-N 1 0 366.414 2.646 20 5 FFBDRO Cc1ncn(-c2ccc(-c3cccc([N+](=O)[O-])c3)nn2)c1CSCC[NH3+] ZINC001168786903 999991893 /nfs/dbraw/zinc/99/18/93/999991893.db2.gz VVSUSLVHNLCVFZ-UHFFFAOYSA-N 1 0 370.438 2.738 20 5 FFBDRO Cc1cc(N(CC[NH3+])c2cccnc2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001168834028 1000000486 /nfs/dbraw/zinc/00/04/86/1000000486.db2.gz CFANUIZSKDACAL-UHFFFAOYSA-N 1 0 350.382 2.852 20 5 FFBDRO CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1C[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168956978 1000012611 /nfs/dbraw/zinc/01/26/11/1000012611.db2.gz DIDKHHIKURGGHW-XQQFMLRXSA-N 1 0 363.405 2.666 20 5 FFBDRO CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CC[NH2+][C@@H]3CC[C@@H](C[N+](=O)[O-])C3)[C@@H]2C1 ZINC001168956496 1000012751 /nfs/dbraw/zinc/01/27/51/1000012751.db2.gz BFJGQNBLIVECTM-QCODTGAPSA-N 1 0 353.463 2.524 20 5 FFBDRO O=C(C[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccc(Br)c(F)c1 ZINC001168975778 1000013721 /nfs/dbraw/zinc/01/37/21/1000013721.db2.gz XDNLIUGBSCJEQP-GXSJLCMTSA-N 1 0 359.195 2.806 20 5 FFBDRO O=C(N[C@H]1CC[C@H]([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1)c1cccc(F)c1 ZINC001168998007 1000014271 /nfs/dbraw/zinc/01/42/71/1000014271.db2.gz HDAYCZCRYUIYSD-MGHWNKPDSA-N 1 0 363.433 2.902 20 5 FFBDRO O=C(N[C@H]1CC[C@H]([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1)c1ccc(F)cc1 ZINC001168999980 1000014433 /nfs/dbraw/zinc/01/44/33/1000014433.db2.gz WQEFJWRBIXLMKL-MGHWNKPDSA-N 1 0 363.433 2.902 20 5 FFBDRO CC(C)(C)OC(=O)N1CC2(C1)CCC[N@@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169035899 1000016636 /nfs/dbraw/zinc/01/66/36/1000016636.db2.gz MFILNIGVFBKUHA-HUUCEWRRSA-N 1 0 353.463 2.765 20 5 FFBDRO CCN1CC[C@@]2(C[N@@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@@H]2c2ccccc2)C1=O ZINC001169026671 1000018209 /nfs/dbraw/zinc/01/82/09/1000018209.db2.gz YNGVVWVEGYYIJR-SFFNPBHPSA-N 1 0 371.481 2.770 20 5 FFBDRO COc1cc(N2CC[NH+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)ccc1Cl ZINC001169046806 1000018550 /nfs/dbraw/zinc/01/85/50/1000018550.db2.gz NDISEZJYFOGLAD-KGLIPLIRSA-N 1 0 353.850 2.916 20 5 FFBDRO CC(C)(C)OC(=O)N[C@@H]1C[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCC1(F)F ZINC001169046379 1000018556 /nfs/dbraw/zinc/01/85/56/1000018556.db2.gz LNWLJXXPSAKAPE-JHJVBQTASA-N 1 0 363.405 2.666 20 5 FFBDRO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@@H]12 ZINC001169052555 1000018954 /nfs/dbraw/zinc/01/89/54/1000018954.db2.gz HFSXODWPLMEOLV-OXGONZEZSA-N 1 0 353.463 2.667 20 5 FFBDRO COc1cccc(C[C@@H]2CN(C(=O)c3cc(C)ccc3[N+](=O)[O-])CC[NH2+]2)c1 ZINC001169252012 1000035027 /nfs/dbraw/zinc/03/50/27/1000035027.db2.gz SVYHSJWQCUOEEY-MRXNPFEDSA-N 1 0 369.421 2.569 20 5 FFBDRO COC(=O)c1c(C)c([N+](=O)[O-])ccc1N1CCCc2ccc(C[NH3+])nc21 ZINC001169591379 1000060132 /nfs/dbraw/zinc/06/01/32/1000060132.db2.gz IDUZHMJEHWCCBR-UHFFFAOYSA-N 1 0 356.382 2.628 20 5 FFBDRO CCOC(=O)c1ccc(-n2cc(CC[NH3+])c3ncccc32)c([N+](=O)[O-])c1 ZINC001169710240 1000071481 /nfs/dbraw/zinc/07/14/81/1000071481.db2.gz GWEIZCAGYRBAJI-UHFFFAOYSA-N 1 0 354.366 2.612 20 5 FFBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NCCC2(C[NH3+])CC2)CC1 ZINC000846691409 1000410168 /nfs/dbraw/zinc/41/01/68/1000410168.db2.gz HXHDFJPJGQGKKM-UHFFFAOYSA-N 1 0 360.458 2.690 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)C[C@@H]1C ZINC001147743446 1000969138 /nfs/dbraw/zinc/96/91/38/1000969138.db2.gz WHNFEBQMYNFJOJ-STQMWFEESA-N 1 0 366.437 2.745 20 5 FFBDRO O=[N+]([O-])c1cnc2cc(Br)ccc2c1NC[C@@H]1CCCC[NH2+]1 ZINC001171334199 1001176408 /nfs/dbraw/zinc/17/64/08/1001176408.db2.gz JUDRCGQLQUUOQM-NSHDSACASA-N 1 0 365.231 2.881 20 5 FFBDRO C/C(=C/C(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000785814308 1001488152 /nfs/dbraw/zinc/48/81/52/1001488152.db2.gz ACWOCUIEIIFOKC-KGAUPUERSA-N 1 0 373.453 2.710 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+]C(C)(C)C1CCOCC1 ZINC000786171382 1001552195 /nfs/dbraw/zinc/55/21/95/1001552195.db2.gz KCHCDTSLSVMTNP-UHFFFAOYSA-N 1 0 365.430 2.727 20 5 FFBDRO C[C@@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(N2CCNC2=O)cc1 ZINC000786832423 1001628682 /nfs/dbraw/zinc/62/86/82/1001628682.db2.gz PFVMLKNLJNLIEC-ACJLOTCBSA-N 1 0 370.409 2.509 20 5 FFBDRO C[C@@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CCO1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788506599 1001814584 /nfs/dbraw/zinc/81/45/84/1001814584.db2.gz WSWKFJXZKPQYKG-CRAIPNDOSA-N 1 0 370.453 2.729 20 5 FFBDRO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2C(=O)C1(N(C)C)CC1 ZINC001182597924 1001957486 /nfs/dbraw/zinc/95/74/86/1001957486.db2.gz WUPFXHKPGPWMDT-UHFFFAOYSA-N 1 0 364.449 2.989 20 5 FFBDRO CCNC(=O)C[C@H]1CCCC[N@@H+]1Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000789522667 1002107765 /nfs/dbraw/zinc/10/77/65/1002107765.db2.gz XEAYVZLITMPPDR-QGZVFWFLSA-N 1 0 371.441 2.797 20 5 FFBDRO CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)O1 ZINC001170276212 1003085122 /nfs/dbraw/zinc/08/51/22/1003085122.db2.gz CDNSCQHEOVRALO-MGPQQGTHSA-N 1 0 363.336 2.750 20 5 FFBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2ccc(-n3cccn3)nc2)c([N+](=O)[O-])c1 ZINC001170313048 1003104227 /nfs/dbraw/zinc/10/42/27/1003104227.db2.gz JSMLJVDXYLWDBT-CQSZACIVSA-N 1 0 367.409 2.905 20 5 FFBDRO COC(=O)c1cccc(C(=[NH2+])N[C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])c1 ZINC001170313001 1003104468 /nfs/dbraw/zinc/10/44/68/1003104468.db2.gz IBLKXTRYYRJIJF-GFCCVEGCSA-N 1 0 371.393 2.936 20 5 FFBDRO COC(=O)c1cncc(C[NH2+][C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])c1 ZINC001170318338 1003108188 /nfs/dbraw/zinc/10/81/88/1003108188.db2.gz PEDCUOUSBCHXBK-GFCCVEGCSA-N 1 0 359.382 2.506 20 5 FFBDRO CC[NH+](CC)C[C@@H]1CN([C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CCO1 ZINC001170355720 1003122420 /nfs/dbraw/zinc/12/24/20/1003122420.db2.gz QHOLHUWXXIGAJN-MAUKXSAKSA-N 1 0 365.474 2.577 20 5 FFBDRO CCNC(=O)OC1CC[NH+]([C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC001170351655 1003136500 /nfs/dbraw/zinc/13/65/00/1003136500.db2.gz GRTNUPRASVZLGP-CYBMUJFWSA-N 1 0 365.430 2.745 20 5 FFBDRO O=C(NCC1CC[NH+](Cc2cccc3ccccc32)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001001401055 1016782088 /nfs/dbraw/zinc/78/20/88/1016782088.db2.gz XSSDLOANKYEARJ-WOJBJXKFSA-N 1 0 367.449 2.833 20 5 FFBDRO COc1cc[nH+]c(N2CCN(c3ccc([N+](=O)[O-])cc3C(C)=O)CC2)c1 ZINC000804432246 1003663316 /nfs/dbraw/zinc/66/33/16/1003663316.db2.gz WPWZDGSHGFHXEU-UHFFFAOYSA-N 1 0 356.382 2.528 20 5 FFBDRO O=[N+]([O-])c1cccc([N+](=O)[O-])c1NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000804560093 1003726248 /nfs/dbraw/zinc/72/62/48/1003726248.db2.gz RLDUZHSRVRJQFQ-CJNGLKHVSA-N 1 0 364.402 2.683 20 5 FFBDRO Cc1ccccc1CN1CCO[C@H](c2noc(CCC(C)(C)[N+](=O)[O-])n2)C1 ZINC000867181701 1003826414 /nfs/dbraw/zinc/82/64/14/1003826414.db2.gz NNUYIKYBBXLXKV-INIZCTEOSA-N 1 0 374.441 2.939 20 5 FFBDRO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC001196773858 1003966532 /nfs/dbraw/zinc/96/65/32/1003966532.db2.gz UVECIKVIHAXGBK-ZIAGYGMSSA-N 1 0 365.430 2.961 20 5 FFBDRO Cn1nncc1C(=O)Nc1cc2oc3cc(=[NH2+])ccc-3nc2c2ccccc12 ZINC001193135773 1004387311 /nfs/dbraw/zinc/38/73/11/1004387311.db2.gz ZUOSAKBDNQQERT-UHFFFAOYSA-N 1 0 370.372 2.946 20 5 FFBDRO Cc1cc(F)cc(C(=O)N2CC[C@H](c3ccccc3)[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000850720706 1005834251 /nfs/dbraw/zinc/83/42/51/1005834251.db2.gz LAAZINGGOKMQST-NVXWUHKLSA-N 1 0 357.385 2.999 20 5 FFBDRO C[C@@H]([C@H](OC(=O)Cn1ccc([N+](=O)[O-])n1)c1ccccc1)[NH+]1CCCC1 ZINC000851132916 1005863073 /nfs/dbraw/zinc/86/30/73/1005863073.db2.gz KTTACIOQPWRHPD-KSSFIOAISA-N 1 0 358.398 2.560 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+](CCc2ccccc2)[C@@H]2CCOC2)cc1 ZINC000776590371 1006002721 /nfs/dbraw/zinc/00/27/21/1006002721.db2.gz DBYIJSHMEOJQNN-UXHICEINSA-N 1 0 356.422 2.962 20 5 FFBDRO COc1ccc(C2([NH2+]C[C@H](O)c3ccc([N+](=O)[O-])cc3)CCOCC2)cc1 ZINC000776593635 1006011155 /nfs/dbraw/zinc/01/11/55/1006011155.db2.gz UYXAPOUNCJKXNF-IBGZPJMESA-N 1 0 372.421 2.932 20 5 FFBDRO C[C@@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(-n2ccnn2)cc1 ZINC000776606489 1006102853 /nfs/dbraw/zinc/10/28/53/1006102853.db2.gz XGPKSSUAFPHVKE-FZKQIMNGSA-N 1 0 353.382 2.560 20 5 FFBDRO Cc1cc(NCC[N@@H+]2CCC(C)(C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001187862866 1006281233 /nfs/dbraw/zinc/28/12/33/1006281233.db2.gz VFPVOXRFMQNZTM-UHFFFAOYSA-N 1 0 355.442 2.926 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[NH2+][C@@H](Cc3ccc(F)cc3)C2)c1 ZINC001187931545 1006325417 /nfs/dbraw/zinc/32/54/17/1006325417.db2.gz JLDIBPSGUAXDNA-INIZCTEOSA-N 1 0 373.384 2.541 20 5 FFBDRO CN(CCOc1ccc([N+](=O)[O-])cc1)C1CN(C(=O)OC(C)(C)C)C1 ZINC001170755694 1006389914 /nfs/dbraw/zinc/38/99/14/1006389914.db2.gz KGKQSZVREPTXGJ-UHFFFAOYSA-N 1 0 351.403 2.525 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH+]2CCC(CO)(c3ccccc3)CC2)cc1 ZINC000814646455 1006390656 /nfs/dbraw/zinc/39/06/56/1006390656.db2.gz FCMFHGFDKKWJLY-IBGZPJMESA-N 1 0 356.422 2.654 20 5 FFBDRO CO[C@]1(C)C[C@@H](N(C)Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)C1(C)C ZINC000853499101 1006415036 /nfs/dbraw/zinc/41/50/36/1006415036.db2.gz IRNCLZAGVWWQEH-CRAIPNDOSA-N 1 0 359.430 2.946 20 5 FFBDRO Cc1cc(N2CCC(N3CCOC3=O)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000853970171 1006609714 /nfs/dbraw/zinc/60/97/14/1006609714.db2.gz SIZGLQVCESETPY-UHFFFAOYSA-N 1 0 356.382 2.872 20 5 FFBDRO C[C@H]([NH2+]CCCc1nnc2n1CCCCC2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815574151 1006708254 /nfs/dbraw/zinc/70/82/54/1006708254.db2.gz GHJODFRBPGQHFZ-ZDUSSCGKSA-N 1 0 358.446 2.778 20 5 FFBDRO Cn1ccnc1[C@@H]([NH2+]C1CCC2(COC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000883383393 1006772341 /nfs/dbraw/zinc/77/23/41/1006772341.db2.gz XRWOBJISEJLNDY-KRWDZBQOSA-N 1 0 356.426 2.967 20 5 FFBDRO CC1(C)[C@H](NC(=O)c2cc(F)cc3c2[nH]c2ccc(F)cc2c3=O)C[C@@H]1[NH3+] ZINC000884360981 1007394296 /nfs/dbraw/zinc/39/42/96/1007394296.db2.gz JTNMPJQWXGFLIZ-JKSUJKDBSA-N 1 0 371.387 2.815 20 5 FFBDRO CCOC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000776821030 1007431799 /nfs/dbraw/zinc/43/17/99/1007431799.db2.gz CCPNLKYTCOIVGS-ZIAGYGMSSA-N 1 0 365.430 2.950 20 5 FFBDRO O=[N+]([O-])c1ccccc1-c1nnc(CN2CCC[C@H](c3cc[nH]n3)C2)o1 ZINC001190436491 1007639407 /nfs/dbraw/zinc/63/94/07/1007639407.db2.gz GSGXWGIJNYYVEA-LBPRGKRZSA-N 1 0 354.370 2.748 20 5 FFBDRO O=[N+]([O-])c1cccnc1N1CC[NH+](C[C@H]2CCCC23CCOCC3)CC1 ZINC001170891899 1007886657 /nfs/dbraw/zinc/88/66/57/1007886657.db2.gz LPNMOXFLNLXRMW-MRXNPFEDSA-N 1 0 360.458 2.709 20 5 FFBDRO O=[N+]([O-])c1cccnc1N1CC[NH+](C[C@@H]2CCCC23CCOCC3)CC1 ZINC001170891898 1007886759 /nfs/dbraw/zinc/88/67/59/1007886759.db2.gz LPNMOXFLNLXRMW-INIZCTEOSA-N 1 0 360.458 2.709 20 5 FFBDRO C[C@H]([NH2+]CCNC(=O)CCCc1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000818353190 1007910187 /nfs/dbraw/zinc/91/01/87/1007910187.db2.gz SVWFHAMOPHEKTD-HNNXBMFYSA-N 1 0 370.453 2.967 20 5 FFBDRO CCc1noc(C[C@]2(O)CCC[N@@H+]([C@@H](C)c3cc([N+](=O)[O-])ccc3C)C2)n1 ZINC000856677256 1007944309 /nfs/dbraw/zinc/94/43/09/1007944309.db2.gz NCTHIZYSVVPLQS-IFXJQAMLSA-N 1 0 374.441 2.979 20 5 FFBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CC[C@@](C)(C[NH3+])C2)CC1 ZINC000818593900 1007962480 /nfs/dbraw/zinc/96/24/80/1007962480.db2.gz RJBBMTGKBXEROK-IBGZPJMESA-N 1 0 360.458 2.642 20 5 FFBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@@H]([NH3+])Cc1c[nH]c3ccccc13)CC2 ZINC000818608548 1007967006 /nfs/dbraw/zinc/96/70/06/1007967006.db2.gz HLRMMQUTZBFJQF-INIZCTEOSA-N 1 0 364.405 2.844 20 5 FFBDRO CC(C)(C)OC(=O)N1CCC([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000818961044 1007980427 /nfs/dbraw/zinc/98/04/27/1007980427.db2.gz KZNFHWMQFAFSPQ-MRXNPFEDSA-N 1 0 365.430 2.617 20 5 FFBDRO C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818951452 1007990529 /nfs/dbraw/zinc/99/05/29/1007990529.db2.gz GBRHRLWAIXYCNB-CXAGYDPISA-N 1 0 358.394 2.968 20 5 FFBDRO Cc1ccc(OC[C@@H](C)[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000818982632 1007998661 /nfs/dbraw/zinc/99/86/61/1007998661.db2.gz PMDBSRYCBPZBBH-WBVHZDCISA-N 1 0 360.410 2.700 20 5 FFBDRO CCn1c(CC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)nc2ccccc21 ZINC000818982970 1008000414 /nfs/dbraw/zinc/00/04/14/1008000414.db2.gz AAIQUZHIKPTXNC-SFHVURJKSA-N 1 0 354.410 2.830 20 5 FFBDRO COc1cccc(N2CC[C@@H](C[NH2+]C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)c1 ZINC000819002078 1008005969 /nfs/dbraw/zinc/00/59/69/1008005969.db2.gz IIEDIIAGKZQWGM-YWZLYKJASA-N 1 0 371.437 2.753 20 5 FFBDRO Cc1ncc2c(n1)CCC[C@@H]2[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000819078282 1008038858 /nfs/dbraw/zinc/03/88/58/1008038858.db2.gz IFNGJPRVLFJDTQ-AWEZNQCLSA-N 1 0 355.398 2.689 20 5 FFBDRO COCCOc1cc(C)ccc1C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819147306 1008043967 /nfs/dbraw/zinc/04/39/67/1008043967.db2.gz OJUVSGHMURLAQC-SFHVURJKSA-N 1 0 360.410 2.752 20 5 FFBDRO CCO[C@@H]1C[C@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@@H]1Oc1ccccc1 ZINC000819243255 1008069353 /nfs/dbraw/zinc/06/93/53/1008069353.db2.gz ROVYZFZVGODIQH-HAGHYFMRSA-N 1 0 372.421 2.843 20 5 FFBDRO O=C1[C@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCCN1C1CCCCC1 ZINC000819253525 1008071010 /nfs/dbraw/zinc/07/10/10/1008071010.db2.gz GNJAKCKZQWNLFQ-QZTJIDSGSA-N 1 0 361.442 2.542 20 5 FFBDRO COc1cccc2[nH]cc(CC[NH2+]C[C@@H](O)c3ccc([N+](=O)[O-])cc3)c21 ZINC000819214355 1008074432 /nfs/dbraw/zinc/07/44/32/1008074432.db2.gz PXEXJDROHTUHJV-QGZVFWFLSA-N 1 0 355.394 2.950 20 5 FFBDRO COCC(C)(C)[NH+]1CCN(C(=O)/C=C(\C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000819635383 1008201745 /nfs/dbraw/zinc/20/17/45/1008201745.db2.gz GZGRFDBLPNJUQZ-FYWRMAATSA-N 1 0 361.442 2.567 20 5 FFBDRO Cc1cc(F)cc(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1[N+](=O)[O-] ZINC000820079854 1008281576 /nfs/dbraw/zinc/28/15/76/1008281576.db2.gz WGGJUQNDWKKUHT-PIIMJCKOSA-N 1 0 369.396 2.903 20 5 FFBDRO CCOC(=O)c1cc(C(=O)OCC[C@H]2CCCC[N@@H+]2C)cc([N+](=O)[O-])c1 ZINC000822043633 1008513390 /nfs/dbraw/zinc/51/33/90/1008513390.db2.gz KWHJLIAHSWQNKA-OAHLLOKOSA-N 1 0 364.398 2.803 20 5 FFBDRO O=[N+]([O-])c1ccc(OCCC[N@H+]2CC3(CCOCC3)CC[C@H]2CO)cc1 ZINC000859519354 1008539703 /nfs/dbraw/zinc/53/97/03/1008539703.db2.gz MMEXGYNIWZOKOV-KRWDZBQOSA-N 1 0 364.442 2.617 20 5 FFBDRO Cc1cc(C(=O)N[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c(N)c([N+](=O)[O-])c1 ZINC000137512873 1008616687 /nfs/dbraw/zinc/61/66/87/1008616687.db2.gz LBFADFHJRCWQJZ-HOCLYGCPSA-N 1 0 368.437 2.878 20 5 FFBDRO COc1cc(C[N@H+](C)C[C@@](C)(O)c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000822516632 1008664914 /nfs/dbraw/zinc/66/49/14/1008664914.db2.gz OMEBLDOKHKZPJE-LJQANCHMSA-N 1 0 360.410 2.952 20 5 FFBDRO O=C(c1cc([N+](=O)[O-])cc2ccccc21)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000859911479 1008719408 /nfs/dbraw/zinc/71/94/08/1008719408.db2.gz JPRAAPMMTRJRAD-HNNXBMFYSA-N 1 0 369.421 2.542 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C[C@@H]3COC4(CCOCC4)O3)o2)c1 ZINC001178317253 1008953659 /nfs/dbraw/zinc/95/36/59/1008953659.db2.gz GFFXXBYHNZPBFO-QGZVFWFLSA-N 1 0 374.393 2.867 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)c1C ZINC000890277733 1009107566 /nfs/dbraw/zinc/10/75/66/1009107566.db2.gz QPJICLBLQXOKPZ-AWEZNQCLSA-N 1 0 361.442 2.537 20 5 FFBDRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000823937605 1009285564 /nfs/dbraw/zinc/28/55/64/1009285564.db2.gz DLMOXARWRJMBMS-IBGZPJMESA-N 1 0 369.421 2.540 20 5 FFBDRO C/C(=C\C(=O)N1CCC([N@@H+]2CCCOCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000861985019 1009647089 /nfs/dbraw/zinc/64/70/89/1009647089.db2.gz QQRCMXBTBCZAFH-FOCLMDBBSA-N 1 0 373.453 2.711 20 5 FFBDRO COc1cc(CN(C)C[C@@H](C)[NH3+])c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000863652076 1010276340 /nfs/dbraw/zinc/27/63/40/1010276340.db2.gz PUHHERKHZDVJLB-CQSZACIVSA-N 1 0 359.426 2.961 20 5 FFBDRO COc1ccc(CN(C)C[C@@H](C)[NH3+])cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000863651994 1010276617 /nfs/dbraw/zinc/27/66/17/1010276617.db2.gz OPYBYMMSBNPZTH-CQSZACIVSA-N 1 0 359.426 2.961 20 5 FFBDRO O=C(CCc1cc(F)ccc1[N+](=O)[O-])NCC1CC[NH+](CC2CC2)CC1 ZINC000826685829 1010308180 /nfs/dbraw/zinc/30/81/80/1010308180.db2.gz JZVOZFMHLLJHJM-UHFFFAOYSA-N 1 0 363.433 2.905 20 5 FFBDRO C[C@@H]([NH2+]CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 ZINC000119961250 1010444027 /nfs/dbraw/zinc/44/40/27/1010444027.db2.gz VPOPSCNKACTCQA-MRXNPFEDSA-N 1 0 368.437 2.594 20 5 FFBDRO COc1ccccc1[C@@H]1CCN(Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C1 ZINC000794632678 1010447834 /nfs/dbraw/zinc/44/78/34/1010447834.db2.gz LAIIPAJATCPZIE-CYBMUJFWSA-N 1 0 369.377 2.958 20 5 FFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]Cc2cccnc2-n2ccnc2)n1 ZINC000774124891 1010482113 /nfs/dbraw/zinc/48/21/13/1010482113.db2.gz YKXXARKBWFHBHP-CVEARBPZSA-N 1 0 367.413 2.646 20 5 FFBDRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNc1ccc([N+](=O)[O-])cc1C(F)F ZINC000865499487 1010800158 /nfs/dbraw/zinc/80/01/58/1010800158.db2.gz OUDLFIVNEDEKAC-HNNXBMFYSA-N 1 0 370.400 2.887 20 5 FFBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2C(F)F)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000865648984 1010835290 /nfs/dbraw/zinc/83/52/90/1010835290.db2.gz LOASHKCXFAHNBL-CZUORRHYSA-N 1 0 368.428 2.995 20 5 FFBDRO Cc1ccc(C[NH2+]Cc2ccccc2OCC(=O)N(C)C)cc1[N+](=O)[O-] ZINC000865786531 1010862096 /nfs/dbraw/zinc/86/20/96/1010862096.db2.gz PONCWFHUBAUFKX-UHFFFAOYSA-N 1 0 357.410 2.660 20 5 FFBDRO CN(CC[NH+]1CC2(C1)CCOCC2)c1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000866256847 1010963495 /nfs/dbraw/zinc/96/34/95/1010963495.db2.gz ADUMHJQGKCCJSK-UHFFFAOYSA-N 1 0 374.363 2.557 20 5 FFBDRO Cc1ccoc1C(=O)NCCC[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866298663 1010973119 /nfs/dbraw/zinc/97/31/19/1010973119.db2.gz CBEQZXKRBKNYQC-ZDUSSCGKSA-N 1 0 363.389 2.976 20 5 FFBDRO C[N@H+](CCNC(=O)Cc1cccc(F)c1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000866351900 1010981839 /nfs/dbraw/zinc/98/18/39/1010981839.db2.gz SMKRCOXTOJSCJB-UHFFFAOYSA-N 1 0 363.364 2.664 20 5 FFBDRO C[C@]([NH3+])(C(=O)NC[C@@H]1SCCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000867944851 1011128067 /nfs/dbraw/zinc/12/80/67/1011128067.db2.gz KAQPSHIRYDWBIJ-PKOBYXMFSA-N 1 0 371.462 2.916 20 5 FFBDRO CCOc1ccc(CN(C)C(=O)[C@](C)(N)c2cccc([N+](=O)[O-])c2)cc1 ZINC000867957357 1011131741 /nfs/dbraw/zinc/13/17/41/1011131741.db2.gz KCDHJHKAZSNFSS-LJQANCHMSA-N 1 0 357.410 2.826 20 5 FFBDRO C[NH+](C)C1(C)CCC(NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000868233170 1011207638 /nfs/dbraw/zinc/20/76/38/1011207638.db2.gz UWEYXJXEQQKDEA-UHFFFAOYSA-N 1 0 364.446 2.536 20 5 FFBDRO Cc1cccn2c(C[NH2+][C@H]3CCc4ccc([N+](=O)[O-])cc4CC3)nnc12 ZINC001172895303 1012097639 /nfs/dbraw/zinc/09/76/39/1012097639.db2.gz BXIQZZQJKNGMPQ-INIZCTEOSA-N 1 0 351.410 2.983 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CC[C@@H](Oc3cnccn3)C1)CC2 ZINC001172914036 1012097929 /nfs/dbraw/zinc/09/79/29/1012097929.db2.gz YCBUBEMZOWCYPQ-SJLPKXTDSA-N 1 0 354.410 2.786 20 5 FFBDRO O=C1CCCN1C1CC[NH+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172921303 1012101773 /nfs/dbraw/zinc/10/17/73/1012101773.db2.gz OBURNSFIVYJOCJ-QGZVFWFLSA-N 1 0 357.454 2.929 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1ccc2c[nH+]cn2c1 ZINC001275236812 1012124000 /nfs/dbraw/zinc/12/40/00/1012124000.db2.gz HYUPVHSBALDKGC-LLVKDONJSA-N 1 0 374.784 2.980 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH2+][C@@H]3CCOC[C@H]3F)CC2)c(F)c1 ZINC001173006881 1012175815 /nfs/dbraw/zinc/17/58/15/1012175815.db2.gz BMNSPQATMDPHHF-HUUCEWRRSA-N 1 0 359.348 2.558 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(N2CCC([N@@H+]3CCC[C@H](CO)C3)CC2)c(F)c1 ZINC001173011416 1012181539 /nfs/dbraw/zinc/18/15/39/1012181539.db2.gz BPQDSJQZABUIIX-LBPRGKRZSA-N 1 0 355.385 2.546 20 5 FFBDRO C[C@@]1(C[NH2+]C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)CCOC1 ZINC001173013468 1012184057 /nfs/dbraw/zinc/18/40/57/1012184057.db2.gz UXUFRMTVOCMVJK-KRWDZBQOSA-N 1 0 355.385 2.858 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH2+]C[C@@H]3CCCOC3)CC2)c(F)c1 ZINC001173012441 1012184926 /nfs/dbraw/zinc/18/49/26/1012184926.db2.gz STDHKCAMDLFHPF-LBPRGKRZSA-N 1 0 355.385 2.858 20 5 FFBDRO CN(C)C[C@@H]1CCC[N@@H+]1C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173017840 1012189319 /nfs/dbraw/zinc/18/93/19/1012189319.db2.gz JYCGLCNLIXZISJ-AWEZNQCLSA-N 1 0 368.428 2.868 20 5 FFBDRO C[N@H+](Cc1ccno1)C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173018828 1012190099 /nfs/dbraw/zinc/19/00/99/1012190099.db2.gz FYNNOMMTDONEGM-UHFFFAOYSA-N 1 0 352.341 2.962 20 5 FFBDRO CCCCC[C@H]([NH2+][C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-])C(=O)NC ZINC001173176993 1012318751 /nfs/dbraw/zinc/31/87/51/1012318751.db2.gz AQTRBXINPQMMFQ-OCCSQVGLSA-N 1 0 369.437 2.958 20 5 FFBDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173181547 1012324126 /nfs/dbraw/zinc/32/41/26/1012324126.db2.gz GFHNWXNJOWQTBH-WZRBSPASSA-N 1 0 354.378 2.605 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]Cc2ccnn2CCF)c1F ZINC001173181979 1012326756 /nfs/dbraw/zinc/32/67/56/1012326756.db2.gz XTMJGGMDDOGCPM-NSHDSACASA-N 1 0 354.357 2.629 20 5 FFBDRO CCOC(=O)CC1([NH2+][C@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])CC1 ZINC001173186816 1012329383 /nfs/dbraw/zinc/32/93/83/1012329383.db2.gz VINCENPZFNKAIL-LLVKDONJSA-N 1 0 354.378 2.749 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2CCC[C@H](n3cncn3)C2)c1F ZINC001173197303 1012340428 /nfs/dbraw/zinc/34/04/28/1012340428.db2.gz SNYUXSOBIQAYQX-OLZOCXBDSA-N 1 0 363.393 2.602 20 5 FFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCn2cc(C[NH+]3CCCC3)nc2C1 ZINC001173223738 1012354655 /nfs/dbraw/zinc/35/46/55/1012354655.db2.gz HDSVCCXAJYNDJI-MRXNPFEDSA-N 1 0 369.469 2.834 20 5 FFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](CO)Cc1ccc(F)cc1F ZINC001173224427 1012358016 /nfs/dbraw/zinc/35/80/16/1012358016.db2.gz FSOITVJEGFNZGR-BLLLJJGKSA-N 1 0 350.365 2.997 20 5 FFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCc2onc(Cn3ccnc3)c2C1 ZINC001173224144 1012358109 /nfs/dbraw/zinc/35/81/09/1012358109.db2.gz IPAXCWSIORWSAB-AWEZNQCLSA-N 1 0 367.409 2.817 20 5 FFBDRO CCOC(=O)Cn1nc(C)c(C[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)c1C ZINC001173225972 1012361680 /nfs/dbraw/zinc/36/16/80/1012361680.db2.gz KJDXJUYFCOMBRJ-CYBMUJFWSA-N 1 0 374.441 2.692 20 5 FFBDRO Cc1cc(C)nc(N2CC[NH+]([C@H](C)Cc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC001173225976 1012362117 /nfs/dbraw/zinc/36/21/17/1012362117.db2.gz GTUIPQIIYKBIAZ-MRXNPFEDSA-N 1 0 355.442 2.755 20 5 FFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(NC(=O)c2cccnc2)CC1 ZINC001173230969 1012363689 /nfs/dbraw/zinc/36/36/89/1012363689.db2.gz HDCLQCFUEVCPGA-OAHLLOKOSA-N 1 0 368.437 2.815 20 5 FFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1CCN(C(=O)C(F)(F)F)CC1 ZINC001173231408 1012365391 /nfs/dbraw/zinc/36/53/91/1012365391.db2.gz YYZJWYYTSWIASB-NSHDSACASA-N 1 0 359.348 2.669 20 5 FFBDRO CC(=O)Oc1ccc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000123222653 1012487460 /nfs/dbraw/zinc/48/74/60/1012487460.db2.gz NFOSAZJNMCPSBU-HNNXBMFYSA-N 1 0 356.382 2.602 20 5 FFBDRO C[C@]([NH3+])(C(=O)N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21)c1cccc([N+](=O)[O-])c1 ZINC000870910220 1012629439 /nfs/dbraw/zinc/62/94/39/1012629439.db2.gz LWBQXAMFJXZCSM-AJYBTWMASA-N 1 0 351.406 2.613 20 5 FFBDRO CCC(CC)C[NH2+]C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001173690150 1012901687 /nfs/dbraw/zinc/90/16/87/1012901687.db2.gz MFVVOYPJKHGGHI-UHFFFAOYSA-N 1 0 369.487 2.774 20 5 FFBDRO CN(C)c1cc[nH+]c(CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000924663448 1017407118 /nfs/dbraw/zinc/40/71/18/1017407118.db2.gz YQRGIXYBPGKMBJ-UHFFFAOYSA-N 1 0 369.425 2.930 20 5 FFBDRO COC(=O)Cc1ccc(N2CCC(C[N@H+](C)C(C)C)CC2)c([N+](=O)[O-])c1 ZINC000827425672 1017987633 /nfs/dbraw/zinc/98/76/33/1017987633.db2.gz MYEYGILMOPDWTR-UHFFFAOYSA-N 1 0 363.458 2.867 20 5 FFBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@@H]1CCN1C1CCOCC1)C1CC1 ZINC000927108364 1018368845 /nfs/dbraw/zinc/36/88/45/1018368845.db2.gz ITCFXKPYWQXUKK-OALUTQOASA-N 1 0 359.470 2.759 20 5 FFBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cc(N(C)C)cc[nH+]1 ZINC000927699630 1018629775 /nfs/dbraw/zinc/62/97/75/1018629775.db2.gz AENNTKWWFMORHP-HNNXBMFYSA-N 1 0 356.426 2.941 20 5 FFBDRO CC1([NH+]2CCCC2)CCC(NC(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000928013511 1018742988 /nfs/dbraw/zinc/74/29/88/1018742988.db2.gz AJNPECRFMCIPHP-UHFFFAOYSA-N 1 0 361.442 2.887 20 5 FFBDRO C[C@@H]1[C@@H](NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)CC[N@@H+]1C ZINC000928440782 1018979285 /nfs/dbraw/zinc/97/92/85/1018979285.db2.gz KXNOHNBDRMBGSA-HWPZZCPQSA-N 1 0 371.387 2.782 20 5 FFBDRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000801945343 1019529199 /nfs/dbraw/zinc/52/91/99/1019529199.db2.gz DRTQRYXJBARTJC-GFCCVEGCSA-N 1 0 360.389 2.566 20 5 FFBDRO O=[N+]([O-])c1cccc2c1CC[N@@H+](C[C@H](O)CC[C@@H](O)c1ccccc1)C2 ZINC000930100623 1019869566 /nfs/dbraw/zinc/86/95/66/1019869566.db2.gz VQBYGNWNYISNTJ-YLJYHZDGSA-N 1 0 356.422 2.828 20 5 FFBDRO COc1ccc(NC(=O)N2CCCC3(CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000930772636 1020175869 /nfs/dbraw/zinc/17/58/69/1020175869.db2.gz JFYRZCJGUBXQND-UHFFFAOYSA-N 1 0 362.430 2.943 20 5 FFBDRO CC(C)[NH+]1CCN(CCCC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000900267426 1020318423 /nfs/dbraw/zinc/31/84/23/1020318423.db2.gz GDNYBYRLACELNA-MRXNPFEDSA-N 1 0 362.474 2.578 20 5 FFBDRO O=[N+]([O-])c1ccc(OCCCN2CCC([N@@H+]3CCCOCC3)CC2)cc1 ZINC000931284288 1020402448 /nfs/dbraw/zinc/40/24/48/1020402448.db2.gz RBJXWAQQZRZLDR-UHFFFAOYSA-N 1 0 363.458 2.550 20 5 FFBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000800866110 1020611214 /nfs/dbraw/zinc/61/12/14/1020611214.db2.gz SHAWWBPHPFYALH-UHFFFAOYSA-N 1 0 355.354 2.985 20 5 FFBDRO Cc1ccc(C(=O)c2cc(O)c(O[C@H]3C[NH2+]CC[C@@H]3F)c([N+](=O)[O-])c2)cc1 ZINC001217962340 1032921460 /nfs/dbraw/zinc/92/14/60/1032921460.db2.gz ZTXXBROXFCAYOF-YOEHRIQHSA-N 1 0 374.368 2.919 20 5 FFBDRO COc1cc([C@H](C)[NH2+]C[C@H]2CCC3(CCOCC3)[C@H]2O)cc([N+](=O)[O-])c1 ZINC000903164586 1020714028 /nfs/dbraw/zinc/71/40/28/1020714028.db2.gz IVBOTBUWUFUSCR-IYOUNJFTSA-N 1 0 364.442 2.822 20 5 FFBDRO COc1c(=O)n2c3ccccc3c3ccnc(c32)c1O[C@H]1CCCC[NH2+]C1 ZINC001217976861 1032929778 /nfs/dbraw/zinc/92/97/78/1032929778.db2.gz SQCRSXLPGFXOQN-ZDUSSCGKSA-N 1 0 363.417 2.968 20 5 FFBDRO Cn1nccc1[C@@H]1CCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000932263607 1020759350 /nfs/dbraw/zinc/75/93/50/1020759350.db2.gz FYVNCCVPAYLYCX-INIZCTEOSA-N 1 0 361.377 2.633 20 5 FFBDRO CC(C)C[N@@H+](Cc1ccccn1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000932450347 1020806453 /nfs/dbraw/zinc/80/64/53/1020806453.db2.gz ZOSDGTAYNHSLOA-KRWDZBQOSA-N 1 0 359.426 2.888 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(Br)c(O[C@H]2C[NH2+]CCC[C@H]2F)c1 ZINC001217989294 1032938460 /nfs/dbraw/zinc/93/84/60/1032938460.db2.gz ZWFCKFSRWGILIW-KCJUWKMLSA-N 1 0 351.147 2.965 20 5 FFBDRO O=C(C[N@@H+]1CCC[C@@H](C2CCOCC2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000933081779 1020955417 /nfs/dbraw/zinc/95/54/17/1020955417.db2.gz OLSKJVJHBFDCIE-QGZVFWFLSA-N 1 0 373.453 2.623 20 5 FFBDRO Cc1cccc(NC[C@H]2CCC[N@@H+]2C[C@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC001116351686 1021175897 /nfs/dbraw/zinc/17/58/97/1021175897.db2.gz ISHFVUOFCWVLBW-MSOLQXFVSA-N 1 0 356.426 2.908 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(Br)c(O[C@@H]2CC[NH2+]CC[C@H]2F)c1 ZINC001218022276 1032959181 /nfs/dbraw/zinc/95/91/81/1032959181.db2.gz GEDQKAHDHYYNAN-PSASIEDQSA-N 1 0 351.147 2.965 20 5 FFBDRO Cc1c(C(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)ccc2c[nH+]cn21 ZINC001116602072 1021302791 /nfs/dbraw/zinc/30/27/91/1021302791.db2.gz WPHOVIRMGPLCHS-UHFFFAOYSA-N 1 0 369.333 2.774 20 5 FFBDRO COc1cc(O[C@@H]2C[NH2+][C@H](C)C2)c2c(c1)oc1ccc(OC)c(O)c1c2=O ZINC001218047741 1032971129 /nfs/dbraw/zinc/97/11/29/1032971129.db2.gz BDVUNMGDSXVUAK-PWSUYJOCSA-N 1 0 371.389 2.798 20 5 FFBDRO COc1ccc(C2([NH2+]C[C@@H](O)c3cccc([N+](=O)[O-])c3)CCOCC2)cc1 ZINC000750095015 1021338016 /nfs/dbraw/zinc/33/80/16/1021338016.db2.gz GYEUKVIZVOGEKF-LJQANCHMSA-N 1 0 372.421 2.932 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCCC[C@H]([C@@H]2CCOC2)C1 ZINC000934836884 1021421612 /nfs/dbraw/zinc/42/16/12/1021421612.db2.gz DVHAJHVNDJPWSD-JKSUJKDBSA-N 1 0 361.442 2.980 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCCC[C@H]([C@@H]2CCOC2)C1 ZINC000934838193 1021421853 /nfs/dbraw/zinc/42/18/53/1021421853.db2.gz IZMORKOSZXDOPO-JKSUJKDBSA-N 1 0 361.442 2.980 20 5 FFBDRO O=C(C[N@@H+]1CCCC[C@@H]([C@@H]2CCOC2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000934841627 1021425855 /nfs/dbraw/zinc/42/58/55/1021425855.db2.gz NBCALIFUCPDXJQ-IAGOWNOFSA-N 1 0 373.453 2.623 20 5 FFBDRO O=[N+]([O-])c1cnn(CN2CC[NH+](Cc3cccc4ccccc43)CC2)c1 ZINC000014189861 1021629220 /nfs/dbraw/zinc/62/92/20/1021629220.db2.gz NXFFFVIANJZJKY-UHFFFAOYSA-N 1 0 351.410 2.720 20 5 FFBDRO Cc1cncc([N+](=O)[O-])c1NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC001117288988 1021639559 /nfs/dbraw/zinc/63/95/59/1021639559.db2.gz DWNPJGVXYPTNAJ-UHFFFAOYSA-N 1 0 356.426 2.807 20 5 FFBDRO C[NH+](C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccccc1 ZINC000016599280 1022281772 /nfs/dbraw/zinc/28/17/72/1022281772.db2.gz CADTVIMAYZHGPP-INIZCTEOSA-N 1 0 358.354 2.536 20 5 FFBDRO CCOc1cc(NC(=O)NCCC2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001119389393 1022732103 /nfs/dbraw/zinc/73/21/03/1022732103.db2.gz KXSHEEIUBAAQAI-UHFFFAOYSA-N 1 0 350.419 2.847 20 5 FFBDRO C/C(=C/C(=O)N(CC[NH+](C)C)Cc1ccccn1)c1ccc([N+](=O)[O-])cc1 ZINC000752074992 1023049875 /nfs/dbraw/zinc/04/98/75/1023049875.db2.gz QPCOQFQRWDUKKL-PEZBUJJGSA-N 1 0 368.437 2.984 20 5 FFBDRO O=C1N(C[N@@H+]2CCCC3(CCOCC3)C2)CCN1c1ccccc1[N+](=O)[O-] ZINC000752792166 1023205741 /nfs/dbraw/zinc/20/57/41/1023205741.db2.gz JFIWPFRXUVVREY-UHFFFAOYSA-N 1 0 374.441 2.687 20 5 FFBDRO [NH3+][C@@H]1C[C@@H](NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)C12CCC2 ZINC001122426907 1023260439 /nfs/dbraw/zinc/26/04/39/1023260439.db2.gz RNJHKMQJOQZXAZ-RTBURBONSA-N 1 0 361.445 2.541 20 5 FFBDRO C[C@@H](NC(=O)NCc1cccc2c1CC[NH2+]C2)c1ccc([N+](=O)[O-])cc1 ZINC001120552938 1023357669 /nfs/dbraw/zinc/35/76/69/1023357669.db2.gz RYXVSRBWFXRCEF-CYBMUJFWSA-N 1 0 354.410 2.801 20 5 FFBDRO Cc1c(O[C@@H](C[N+](=O)[O-])c2ccc3c(c2)OCO3)ccc2c1CC[NH2+]C2 ZINC001218408283 1033142283 /nfs/dbraw/zinc/14/22/83/1033142283.db2.gz FOMLANXNFICQEB-IBGZPJMESA-N 1 0 356.378 2.766 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)O[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001122957994 1023573982 /nfs/dbraw/zinc/57/39/82/1023573982.db2.gz LBOKDAYSAUWKOT-WMLDXEAASA-N 1 0 372.425 2.554 20 5 FFBDRO Cn1ccnc1[C@H]1CC[N@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000755790731 1023636558 /nfs/dbraw/zinc/63/65/58/1023636558.db2.gz QJFPWWIXWGQSPI-HNNXBMFYSA-N 1 0 352.398 2.639 20 5 FFBDRO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C3CC3)[C@H]2C1 ZINC001123705341 1023949689 /nfs/dbraw/zinc/94/96/89/1023949689.db2.gz MLSLFPTUOFHCQX-JCGIZDLHSA-N 1 0 358.442 2.609 20 5 FFBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000758253973 1023999169 /nfs/dbraw/zinc/99/91/69/1023999169.db2.gz OXXFFMWMZHLNOG-KRWDZBQOSA-N 1 0 369.425 2.529 20 5 FFBDRO CCn1c(-c2ccc([N+](=O)[O-])o2)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC001121791818 1024027691 /nfs/dbraw/zinc/02/76/91/1024027691.db2.gz LSVSDZFUOIXXBD-CYBMUJFWSA-N 1 0 374.445 2.777 20 5 FFBDRO O=C([C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)N1CCC(Cc2c[nH]cn2)CC1 ZINC001123984954 1024198170 /nfs/dbraw/zinc/19/81/70/1024198170.db2.gz APGGCXUXRFBMPY-ROUUACIJSA-N 1 0 354.410 2.903 20 5 FFBDRO CN(C(=O)CCc1ccc([N+](=O)[O-])cc1Cl)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001122010278 1024261993 /nfs/dbraw/zinc/26/19/93/1024261993.db2.gz MFLSWEMNXKTLJH-NNQSOWQGSA-N 1 0 351.834 2.922 20 5 FFBDRO C[C@@H](C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000194641995 1024872125 /nfs/dbraw/zinc/87/21/25/1024872125.db2.gz HQXZHSRFHXMAAO-XHSDSOJGSA-N 1 0 360.458 2.505 20 5 FFBDRO O=[N+]([O-])c1ccc(NCCC2(O)CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000717932419 1025186452 /nfs/dbraw/zinc/18/64/52/1025186452.db2.gz BPTQGZQVXOCBGH-UHFFFAOYSA-N 1 0 356.426 2.819 20 5 FFBDRO NC(=O)c1cnoc1NC(=O)[C@@H]([NH3+])Cc1c2ccccc2cc2ccccc21 ZINC001218702777 1033288287 /nfs/dbraw/zinc/28/82/87/1033288287.db2.gz WKTQGOVPVFARAN-SFHVURJKSA-N 1 0 374.400 2.588 20 5 FFBDRO CC(C)[N@@H+]1CCCC[C@H]1COC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000837385759 1025763553 /nfs/dbraw/zinc/76/35/53/1025763553.db2.gz DKJUCQDEJMNOGY-HNNXBMFYSA-N 1 0 373.413 2.595 20 5 FFBDRO CC(C)c1[nH]nc(C(=O)O[C@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000837700105 1025970917 /nfs/dbraw/zinc/97/09/17/1025970917.db2.gz RTUCJJKDNLRVHW-AWEZNQCLSA-N 1 0 358.398 2.873 20 5 FFBDRO Cc1c(C(=O)NC(C)(C)C[NH+]2CCCC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000839439128 1026679111 /nfs/dbraw/zinc/67/91/11/1026679111.db2.gz RRDYYPIEFPQKIE-UHFFFAOYSA-N 1 0 364.402 2.724 20 5 FFBDRO CN(CCC[N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000839655189 1026777793 /nfs/dbraw/zinc/77/77/93/1026777793.db2.gz TVOPXJOUEBRWOF-MRXNPFEDSA-N 1 0 367.446 2.817 20 5 FFBDRO C[N@@H+]1CCC[C@@]2(CCN(Cn3cc(-c4ccc([N+](=O)[O-])cc4)cn3)C2)C1 ZINC000840085190 1026949995 /nfs/dbraw/zinc/94/99/95/1026949995.db2.gz BIGNFPRHJVSKAI-LJQANCHMSA-N 1 0 355.442 2.834 20 5 FFBDRO CO[C@@H]1C[C@@H]([N@H+](C)Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C12CCC2 ZINC000840140144 1026980032 /nfs/dbraw/zinc/98/00/32/1026980032.db2.gz MFGKZCZRBIYKIO-HZPDHXFCSA-N 1 0 357.414 2.700 20 5 FFBDRO COC(=O)[C@@]12CC[NH2+][C@@H]1CN(c1ccc3ccc4cccnc4c3n1)CC2 ZINC001158635897 1027081787 /nfs/dbraw/zinc/08/17/87/1027081787.db2.gz JNORUPOPABVZIM-IIBYNOLFSA-N 1 0 362.433 2.514 20 5 FFBDRO C[N@@H+]1CCN(C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)CC12CCCCC2 ZINC001158702520 1027099564 /nfs/dbraw/zinc/09/95/64/1027099564.db2.gz IOGAXQUNLGQIEU-UHFFFAOYSA-N 1 0 366.849 2.921 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])cnc1NC1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001159392002 1027377895 /nfs/dbraw/zinc/37/78/95/1027377895.db2.gz VIQLQXVMWCSHGX-UHFFFAOYSA-N 1 0 350.419 2.840 20 5 FFBDRO O=C(NCCC1=CC[N@H+](Cc2ccccc2Cl)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001160098203 1027589962 /nfs/dbraw/zinc/58/99/62/1027589962.db2.gz WYDGZKHMIUZSPO-NVXWUHKLSA-N 1 0 363.845 2.644 20 5 FFBDRO Cc1ccccc1CCC[N@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001160106825 1027592739 /nfs/dbraw/zinc/59/27/39/1027592739.db2.gz DAQBIDDKZHKFND-WOJBJXKFSA-N 1 0 371.481 2.731 20 5 FFBDRO C[NH+](C)CC1(CNC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)CCCC1 ZINC001153873760 1028041080 /nfs/dbraw/zinc/04/10/80/1028041080.db2.gz YTLJSPRLLYVUIE-UHFFFAOYSA-N 1 0 372.828 2.821 20 5 FFBDRO Cc1nc(Cl)nc(N(c2ccncn2)[C@H]2CC[C@H]([NH3+])CC2)c1[N+](=O)[O-] ZINC001161357977 1028145530 /nfs/dbraw/zinc/14/55/30/1028145530.db2.gz KCROPNYITCCARD-XYPYZODXSA-N 1 0 363.809 2.545 20 5 FFBDRO Cc1ccccc1CC1(CNc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)CC1 ZINC001161610289 1028253160 /nfs/dbraw/zinc/25/31/60/1028253160.db2.gz RQRIQRAODNMFDA-UHFFFAOYSA-N 1 0 353.426 2.815 20 5 FFBDRO [NH3+]Cc1nc2cnccc2n1-c1cc(Cl)nc2ccc([N+](=O)[O-])cc21 ZINC001162219508 1028472093 /nfs/dbraw/zinc/47/20/93/1028472093.db2.gz FSORKCYOHCGZAZ-UHFFFAOYSA-N 1 0 354.757 2.989 20 5 FFBDRO O=[N+]([O-])c1cc[n+]([O-])c(N[C@H](CC2CC[NH2+]CC2)c2ccccc2F)c1 ZINC001162231727 1028476425 /nfs/dbraw/zinc/47/64/25/1028476425.db2.gz YZJDPYSKYYXGDM-QGZVFWFLSA-N 1 0 360.389 2.910 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])c(Cl)cc1NC[C@]1(F)CCCC[NH2+]C1 ZINC001162586197 1028588617 /nfs/dbraw/zinc/58/86/17/1028588617.db2.gz SEYZSUAGDUTQIK-HNNXBMFYSA-N 1 0 359.785 2.929 20 5 FFBDRO CCOC1(OCC)CC[NH2+]C[C@H]1Nc1cc2cccnc2c([N+](=O)[O-])c1 ZINC001162734098 1028638986 /nfs/dbraw/zinc/63/89/86/1028638986.db2.gz XRHQGSZOJZMSIF-MRXNPFEDSA-N 1 0 360.414 2.686 20 5 FFBDRO CC(C)[C@H]1CCC[N@H+](CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000780499093 1028715845 /nfs/dbraw/zinc/71/58/45/1028715845.db2.gz RJKBQHPCPQPFBH-AWEZNQCLSA-N 1 0 360.414 2.689 20 5 FFBDRO O=[N+]([O-])c1ccc(NCC[C@H]2CCOC23C[NH2+]C3)nc1-c1ccc(F)cc1 ZINC001155480370 1028754952 /nfs/dbraw/zinc/75/49/52/1028754952.db2.gz XEJLSVAVJXRCOS-AWEZNQCLSA-N 1 0 372.400 2.976 20 5 FFBDRO Cc1ccc(-c2ccc(NCC[C@H]3CCOC34C[NH2+]C4)nn2)cc1[N+](=O)[O-] ZINC001155479492 1028755100 /nfs/dbraw/zinc/75/51/00/1028755100.db2.gz YMLJQLQJUCGYCH-HNNXBMFYSA-N 1 0 369.425 2.541 20 5 FFBDRO Cc1ccc2c(c1)[C@@H](Nc1cc([N+](=O)[O-])c(=O)n(C)c1)CC21CC[NH2+]CC1 ZINC001163032625 1028766886 /nfs/dbraw/zinc/76/68/86/1028766886.db2.gz XIXYGXIKCYGSNS-KRWDZBQOSA-N 1 0 368.437 2.780 20 5 FFBDRO O=[N+]([O-])c1c2nsnc2ccc1NCC[C@@H]1C[NH2+]Cc2cccn2C1 ZINC001163059881 1028781327 /nfs/dbraw/zinc/78/13/27/1028781327.db2.gz IEKUVCGQAOVAGR-LLVKDONJSA-N 1 0 358.427 2.623 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ccccc2)nc1NCC[C@H]1CCOC12C[NH2+]C2 ZINC001163083261 1028789714 /nfs/dbraw/zinc/78/97/14/1028789714.db2.gz ZFDGCUIEIMFNFO-HNNXBMFYSA-N 1 0 354.410 2.837 20 5 FFBDRO O=[N+]([O-])c1c(Cl)cc(Cl)nc1NC[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001155597334 1028808840 /nfs/dbraw/zinc/80/88/40/1028808840.db2.gz MBAUTPUNLKPMMY-YMTOWFKASA-N 1 0 361.229 2.867 20 5 FFBDRO NC1=CC=C(C2CCN(c3ncc([N+](=O)[O-])c4ccccc43)CC2)[NH2+]C1 ZINC001163130636 1028815624 /nfs/dbraw/zinc/81/56/24/1028815624.db2.gz AZNJNEVXMOTAGF-UHFFFAOYSA-N 1 0 351.410 2.689 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ccccc2)nc1NC[C@H]1OC[C@H]2C[NH2+]CC[C@H]21 ZINC001163164239 1028827617 /nfs/dbraw/zinc/82/76/17/1028827617.db2.gz RFRHHUJDKBDNHR-IIDMSEBBSA-N 1 0 354.410 2.693 20 5 FFBDRO O=[N+]([O-])c1cnc(NC[C@H]2CO[C@]3(C2)CCC[NH2+]C3)c(C(F)(F)F)c1 ZINC001163284054 1028871975 /nfs/dbraw/zinc/87/19/75/1028871975.db2.gz JWZGAGOLRUBOFC-HZMBPMFUSA-N 1 0 360.336 2.579 20 5 FFBDRO O=[N+]([O-])c1cnc(NC[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)c(C(F)(F)F)c1 ZINC001163284057 1028872108 /nfs/dbraw/zinc/87/21/08/1028872108.db2.gz JWZGAGOLRUBOFC-YGRLFVJLSA-N 1 0 360.336 2.579 20 5 FFBDRO COc1nc(C)c([N+](=O)[O-])c(NC2CC[NH+](C[C@@H]3CC=CCC3)CC2)n1 ZINC001163320162 1028891834 /nfs/dbraw/zinc/89/18/34/1028891834.db2.gz PAPFLPUGSMMTHF-CQSZACIVSA-N 1 0 361.446 2.934 20 5 FFBDRO CN(CC[NH3+])C(F)(F)c1cc(-c2ccc([N+](=O)[O-])cc2)nnc1Cl ZINC001163689823 1029028150 /nfs/dbraw/zinc/02/81/50/1029028150.db2.gz FVDLDCXDEBLIPT-UHFFFAOYSA-N 1 0 357.748 2.645 20 5 FFBDRO CC(=O)Nc1cc(N[C@H](C)C[NH+](C)C)c([N+](=O)[O-])cc1Br ZINC001163785102 1029060988 /nfs/dbraw/zinc/06/09/88/1029060988.db2.gz CPCLPJHXZUEBRA-MRVPVSSYSA-N 1 0 359.224 2.678 20 5 FFBDRO CC(C)N(CCC[NH3+])c1ncccc1NC(=O)c1ccccc1[N+](=O)[O-] ZINC001164122967 1029179551 /nfs/dbraw/zinc/17/95/51/1029179551.db2.gz TUJDXIBJDUYBMC-UHFFFAOYSA-N 1 0 357.414 2.806 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(N(c2cccc(C[NH3+])c2)S(C)(=O)=O)nc1Cl ZINC001156485963 1029212682 /nfs/dbraw/zinc/21/26/82/1029212682.db2.gz ICOSKGPUSNMWOP-UHFFFAOYSA-N 1 0 370.818 2.508 20 5 FFBDRO C[C@H]1CC[C@@]2(CC[N@H+](CN3CC(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)C2)C1 ZINC000781585730 1029288979 /nfs/dbraw/zinc/28/89/79/1029288979.db2.gz IAETVQPVCUYNON-IFXJQAMLSA-N 1 0 372.425 2.833 20 5 FFBDRO O=C(NCCC1(C[NH2+]Cc2ccc(C3CC3)cc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001164494423 1029298048 /nfs/dbraw/zinc/29/80/48/1029298048.db2.gz JFDVAFWGCANYFQ-QZTJIDSGSA-N 1 0 357.454 2.605 20 5 FFBDRO Cn1cc(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc([N+](=O)[O-])c1=O ZINC001164491800 1029298751 /nfs/dbraw/zinc/29/87/51/1029298751.db2.gz GKNLCTLIEWJBHX-CGTJXYLNSA-N 1 0 368.437 2.616 20 5 FFBDRO CN(C)/C=C/c1cc(N2CC[NH2+][C@@H](Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC001164612935 1029345048 /nfs/dbraw/zinc/34/50/48/1029345048.db2.gz PVSFQTYFORKIIQ-LNENJAERSA-N 1 0 367.453 2.543 20 5 FFBDRO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N(C)C1CC[NH+](CC)CC1 ZINC001165067444 1029360335 /nfs/dbraw/zinc/36/03/35/1029360335.db2.gz CMGAWSCZTQRGAO-UHFFFAOYSA-N 1 0 370.837 2.740 20 5 FFBDRO C[NH2+]CCNC(F)(F)c1cc(-c2cccc([N+](=O)[O-])c2)nnc1Cl ZINC001156897638 1029396049 /nfs/dbraw/zinc/39/60/49/1029396049.db2.gz WQFCSLKHFQJRID-UHFFFAOYSA-N 1 0 357.748 2.564 20 5 FFBDRO CC[N@H+]([C@H]1CCOC1)C1CCN(c2cc([N+](=O)[O-])c3cc[nH]c3n2)CC1 ZINC001165110603 1029400254 /nfs/dbraw/zinc/40/02/54/1029400254.db2.gz TZKUPKXAGYXJME-AWEZNQCLSA-N 1 0 359.430 2.551 20 5 FFBDRO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1N(C)c1cc([N+](=O)[O-])cc[n+]1[O-] ZINC001165180688 1029435809 /nfs/dbraw/zinc/43/58/09/1029435809.db2.gz DJOKKRVZWNATSW-MAUKXSAKSA-N 1 0 356.426 2.575 20 5 FFBDRO Cc1ccc(-c2ccc(N3C[C@@H]4CCC[N@@H+](C)[C@@H]4C3)nn2)cc1[N+](=O)[O-] ZINC001157269203 1029531010 /nfs/dbraw/zinc/53/10/10/1029531010.db2.gz ASLXSVVQUDUPGZ-MAUKXSAKSA-N 1 0 353.426 2.891 20 5 FFBDRO C[N@@H+]1CCC[C@H]2CN(c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)nn3)C[C@@H]21 ZINC001157282991 1029535999 /nfs/dbraw/zinc/53/59/99/1029535999.db2.gz SCKLPJXAZVFGPE-GUYCJALGSA-N 1 0 357.389 2.721 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N(Cc2ccccc2)[C@H]2CCC[NH2+]C2)c1 ZINC001157433243 1029585202 /nfs/dbraw/zinc/58/52/02/1029585202.db2.gz GFOLGHITAHAEFD-AWEZNQCLSA-N 1 0 362.817 2.640 20 5 FFBDRO Cc1ccc2c(oc3c(CC(=O)N4C[C@@H](F)[C@@H]([NH3+])C4)cccc3c2=O)c1C ZINC001157538375 1029611177 /nfs/dbraw/zinc/61/11/77/1029611177.db2.gz KNQZHQFMZNMXTC-SJORKVTESA-N 1 0 368.408 2.613 20 5 FFBDRO CCC[N@H+]1C[C@H]2CN(c3nc(SC)nc(Cl)c3[N+](=O)[O-])C[C@H]2C1 ZINC001157688108 1029646060 /nfs/dbraw/zinc/64/60/60/1029646060.db2.gz BPFNNRXHCJYETO-AOOOYVTPSA-N 1 0 357.867 2.538 20 5 FFBDRO Cc1c[nH+]ccc1N1CCN(c2ccc([N+](=O)[O-])c(OC(C)C)n2)CC1 ZINC001158107696 1029735362 /nfs/dbraw/zinc/73/53/62/1029735362.db2.gz CEZQFTYNVGCTBJ-UHFFFAOYSA-N 1 0 357.414 2.807 20 5 FFBDRO Nc1cc([N+](=O)[O-])cnc1N(Cc1ccccc1F)[C@H]1CC[C@H]([NH3+])CC1 ZINC001158149018 1029746267 /nfs/dbraw/zinc/74/62/67/1029746267.db2.gz YVWKQPUHYZMORC-HDJSIYSDSA-N 1 0 359.405 2.988 20 5 FFBDRO COc1ccc2c(c1)c(CC[NH3+])c(C)n2-c1cc(OC)c([N+](=O)[O-])cn1 ZINC001158291676 1029788029 /nfs/dbraw/zinc/78/80/29/1029788029.db2.gz AGNHHNOBUQPWTM-UHFFFAOYSA-N 1 0 356.382 2.761 20 5 FFBDRO [NH3+]Cc1cnnn1-c1cc(Oc2ccnc(Cl)c2)c(F)cc1[N+](=O)[O-] ZINC001158423217 1029825638 /nfs/dbraw/zinc/82/56/38/1029825638.db2.gz OKQNPCNOMWECDA-UHFFFAOYSA-N 1 0 364.724 2.614 20 5 FFBDRO COC(=O)COc1c(C)cc(NCC[C@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC001165300113 1029936723 /nfs/dbraw/zinc/93/67/23/1029936723.db2.gz HKSSBGWFVJOJMV-CQSZACIVSA-N 1 0 365.430 2.599 20 5 FFBDRO [NH3+]C1([C@@H]2CN(c3cc([N+](=O)[O-])cc4c(Cl)ncnc43)C[C@@H]2CF)CC1 ZINC001165432789 1029979764 /nfs/dbraw/zinc/97/97/64/1029979764.db2.gz HCHBXHWZRSBYQI-JOYOIKCWSA-N 1 0 365.796 2.705 20 5 FFBDRO [NH3+]C1([C@H]2CN(c3cc([N+](=O)[O-])cc4c(Cl)ncnc43)C[C@H]2CF)CC1 ZINC001165432790 1029980347 /nfs/dbraw/zinc/98/03/47/1029980347.db2.gz HCHBXHWZRSBYQI-SKDRFNHKSA-N 1 0 365.796 2.705 20 5 FFBDRO COc1cc(CNc2ccc3c(c2)C[NH2+]CCO3)c([N+](=O)[O-])cc1OC ZINC000841076637 1030020892 /nfs/dbraw/zinc/02/08/92/1030020892.db2.gz KNQWOBKPDPIPCF-UHFFFAOYSA-N 1 0 359.382 2.706 20 5 FFBDRO Cc1cccc(N(c2ncc([N+](=O)[O-])c(C)n2)[C@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001165774459 1030120168 /nfs/dbraw/zinc/12/01/68/1030120168.db2.gz CXVGOBIUTSHOOC-APWZRJJASA-N 1 0 369.425 2.661 20 5 FFBDRO Cc1nn(C[N@@H+]2CCC[C@H](C3(C)OCCO3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000784031993 1030430487 /nfs/dbraw/zinc/43/04/87/1030430487.db2.gz UZNLBPWYBJTQKQ-AWEZNQCLSA-N 1 0 360.414 2.685 20 5 FFBDRO Cc1c(C)c(N2c3ccccc3C(=O)NC23CC[NH2+]CC3)ncc1[N+](=O)[O-] ZINC001166809581 1030525745 /nfs/dbraw/zinc/52/57/45/1030525745.db2.gz GVEGCKZZWZWXNQ-UHFFFAOYSA-N 1 0 367.409 2.568 20 5 FFBDRO Cc1ncc([N+](=O)[O-])c(N(CC[NH3+])Cc2ccc(Cl)cc2Cl)n1 ZINC001166910834 1030571875 /nfs/dbraw/zinc/57/18/75/1030571875.db2.gz PAQZEJXFKVFBBQ-UHFFFAOYSA-N 1 0 356.213 2.965 20 5 FFBDRO C/C(=C/C(=O)OC[C@H]1C[N@H+](CC(C)C)CCO1)c1ccc([N+](=O)[O-])cc1 ZINC000784870965 1030854393 /nfs/dbraw/zinc/85/43/93/1030854393.db2.gz JUGTWXMKMUZMFO-QWSHFYNQSA-N 1 0 362.426 2.898 20 5 FFBDRO CC(C)NC(=O)OC[C@@H]1CCCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000796703621 1030887415 /nfs/dbraw/zinc/88/74/15/1030887415.db2.gz BMYOBZVNNWJNST-INIZCTEOSA-N 1 0 365.430 2.963 20 5 FFBDRO CC(C)[N@@H+]1CCC[C@H](COC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000842835382 1030984880 /nfs/dbraw/zinc/98/48/80/1030984880.db2.gz GKTOEPJXMXOCKA-ZDUSSCGKSA-N 1 0 364.398 2.643 20 5 FFBDRO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)c1ccc([N+](=O)[O-])n1C ZINC000797081620 1030991642 /nfs/dbraw/zinc/99/16/42/1030991642.db2.gz VVTIKWDJNGQLHQ-GDBMZVCRSA-N 1 0 354.410 2.690 20 5 FFBDRO CC(C)Oc1ccc([C@@H](O)C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000843080908 1031173346 /nfs/dbraw/zinc/17/33/46/1031173346.db2.gz KNYBKKGGHJKVGP-OALUTQOASA-N 1 0 360.410 2.739 20 5 FFBDRO Cc1cc(C(=O)N2CCC[C@@H]2c2nc([C@H]([NH3+])C(C)C)no2)ccc1[N+](=O)[O-] ZINC000843151177 1031214579 /nfs/dbraw/zinc/21/45/79/1031214579.db2.gz CXNSUKVYSHPWOU-HUUCEWRRSA-N 1 0 373.413 2.919 20 5 FFBDRO C[NH+]1CCC2(CCCN(c3ccc([N+](=O)[O-])cc3C(=O)NC3CC3)C2)CC1 ZINC000798405611 1031398226 /nfs/dbraw/zinc/39/82/26/1031398226.db2.gz RBLFQRMNRTXYCS-UHFFFAOYSA-N 1 0 372.469 2.799 20 5 FFBDRO O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000843486882 1031424863 /nfs/dbraw/zinc/42/48/63/1031424863.db2.gz WVWMBCFUFKATOD-HZPDHXFCSA-N 1 0 372.469 2.657 20 5 FFBDRO CCOC(=O)C1(C[NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CCC1 ZINC001204945709 1031473482 /nfs/dbraw/zinc/47/34/82/1031473482.db2.gz HMJPGUSEJSRJJZ-ZDUSSCGKSA-N 1 0 363.414 2.635 20 5 FFBDRO C[NH+]1C[C@@]2(C)CN(C(=O)Cc3ccc([N+](=O)[O-])cc3Cl)C[C@]2(C)C1 ZINC001149671875 1031565532 /nfs/dbraw/zinc/56/55/32/1031565532.db2.gz OLQYZCXXTARLHK-IRXDYDNUSA-N 1 0 351.834 2.591 20 5 FFBDRO Cn1nc(CC[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)c2ccccc21 ZINC001205456992 1031762075 /nfs/dbraw/zinc/76/20/75/1031762075.db2.gz NNUJNSUDETTWQL-UHFFFAOYSA-N 1 0 351.366 2.955 20 5 FFBDRO O=C(NCC1([NH2+]CCCc2ccccc2)CCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001115530828 1031788358 /nfs/dbraw/zinc/78/83/58/1031788358.db2.gz UELKVBQMFXRTTA-QZTJIDSGSA-N 1 0 359.470 2.693 20 5 FFBDRO Cn1cc(C(=O)N2CC[NH+](C(C)(C)C)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001115884559 1031999463 /nfs/dbraw/zinc/99/94/63/1031999463.db2.gz HEJSXELQOYQOAJ-UHFFFAOYSA-N 1 0 371.441 2.552 20 5 FFBDRO Nc1cc2nc3ccccc3nc2cc1NC(=O)C1([NH3+])Cc2ccccc2C1 ZINC001218857749 1033378387 /nfs/dbraw/zinc/37/83/87/1033378387.db2.gz QWALORKVYXJRTH-UHFFFAOYSA-N 1 0 369.428 2.800 20 5 FFBDRO C[N+](C)(C)C[C@H](O)CC(=O)OCc1ccc(OCc2ccccc2)cc1 ZINC001223651857 1033538182 /nfs/dbraw/zinc/53/81/82/1033538182.db2.gz REJXOFCDKVGODU-LJQANCHMSA-N 1 0 358.458 2.766 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)C[C@H](O)CNC(=O)OC(C)(C)C ZINC000830456878 1033621574 /nfs/dbraw/zinc/62/15/74/1033621574.db2.gz MWQPOFULZMFYPN-DZGCQCFKSA-N 1 0 367.446 2.782 20 5 FFBDRO CN(C)c1cc(F)c(C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)cc1[N+](=O)[O-] ZINC000830838113 1033813836 /nfs/dbraw/zinc/81/38/36/1033813836.db2.gz JOWWGQDRRCRQQD-INIZCTEOSA-N 1 0 366.437 2.650 20 5 FFBDRO C[C@@H](C[N+](C)(C)C)Oc1n[nH]c2c1CCCN(C(=O)OC(C)(C)C)C2 ZINC001225553591 1034302355 /nfs/dbraw/zinc/30/23/55/1034302355.db2.gz KYEXHIQAXYCRSU-ZDUSSCGKSA-N 1 0 353.487 2.567 20 5 FFBDRO Cc1ccnc(O[C@H](C)[C@@H]2CN(Cc3ccccc3)CCO2)c1[N+](=O)[O-] ZINC001226120347 1034534822 /nfs/dbraw/zinc/53/48/22/1034534822.db2.gz UJMUHLCANAPBNE-WBVHZDCISA-N 1 0 357.410 2.967 20 5 FFBDRO CNc1nccc(C(=O)N2CCC(C)([NH+]3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000832224720 1034648634 /nfs/dbraw/zinc/64/86/34/1034648634.db2.gz GXRFHBBDQNOGEL-UHFFFAOYSA-N 1 0 361.446 2.512 20 5 FFBDRO COC(=O)c1cc(OC)c(O[C@H]2CC[C@H]([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC001226434198 1034683461 /nfs/dbraw/zinc/68/34/61/1034683461.db2.gz OAYZNJXKMGVPDB-HAQNSBGRSA-N 1 0 352.387 2.642 20 5 FFBDRO C[C@@H](C[N+](C)(C)C)Oc1ccccc1C(=O)Nc1ncc([N+](=O)[O-])s1 ZINC001227519596 1035594379 /nfs/dbraw/zinc/59/43/79/1035594379.db2.gz ZJKMWEPUARADIY-NSHDSACASA-O 1 0 365.435 2.777 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])c(OC2CC[NH+](C(C)(C)C)CC2)cc1[O-] ZINC001228814377 1036340604 /nfs/dbraw/zinc/34/06/04/1036340604.db2.gz MFMIKPMGQQUHFF-UHFFFAOYSA-N 1 0 352.387 2.729 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])ccc1OC1CCN(c2cc[nH+]cc2)CC1 ZINC001229058730 1036477087 /nfs/dbraw/zinc/47/70/87/1036477087.db2.gz DAWCAPKSDIXDTQ-UHFFFAOYSA-N 1 0 357.366 2.824 20 5 FFBDRO C[C@@H](C[N+](C)(C)C)Oc1ncnc2c(I)cccc12 ZINC001229074472 1036484909 /nfs/dbraw/zinc/48/49/09/1036484909.db2.gz KIKQXNHFTFZEQM-JTQLQIEISA-N 1 0 372.230 2.708 20 5 FFBDRO COc1ccc(I)c(O[C@@H](C)C[N+](C)(C)C)c1 ZINC001229089303 1036494024 /nfs/dbraw/zinc/49/40/24/1036494024.db2.gz QTPPNNCMOSUWFV-JTQLQIEISA-N 1 0 350.220 2.773 20 5 FFBDRO COc1c(C)cc([N+](=O)[O-])c(O[C@@H]2[C@@H]3CCC[C@H]2C[N@@H+](C)C3)c1[N+](=O)[O-] ZINC001229876337 1036953394 /nfs/dbraw/zinc/95/33/94/1036953394.db2.gz UTODGLDKSWGTOS-DRXBFXEBSA-N 1 0 365.386 2.929 20 5 FFBDRO COc1c(O)cc(O[C@@H](C)C[NH+](C)C)c2c(=O)c3ccccc3n(C)c12 ZINC001234170439 1036954849 /nfs/dbraw/zinc/95/48/49/1036954849.db2.gz HYGPPGHCDOMSQS-LBPRGKRZSA-N 1 0 356.422 2.735 20 5 FFBDRO Cc1nc2c(c(O[C@@H](C)C[N+](C)(C)C)n1)CCN(Cc1ccccc1)C2 ZINC001229898165 1036968395 /nfs/dbraw/zinc/96/83/95/1036968395.db2.gz UGSBBTBIGUINGN-INIZCTEOSA-N 1 0 355.506 2.817 20 5 FFBDRO CCOC(=O)Cc1ccc([N+](=O)[O-])c(O[C@H]2[C@@H]3CCC[C@H]2C[N@@H+](C)C3)c1 ZINC001234410131 1037024660 /nfs/dbraw/zinc/02/46/60/1037024660.db2.gz NFYJFMXQCKOHPV-QWHZDKJVSA-N 1 0 362.426 2.810 20 5 FFBDRO Cc1cc(Br)c(C)c(C)c1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001234911787 1037236682 /nfs/dbraw/zinc/23/66/82/1037236682.db2.gz OMVAEVXNKPHEHA-CYBMUJFWSA-N 1 0 359.284 2.737 20 5 FFBDRO Cc1ccc(O[C@H]2CC[C@H]([NH+]3CCOCC3)CC2)c([N+](=O)[O-])c1[N+](=O)[O-] ZINC001230490410 1037293522 /nfs/dbraw/zinc/29/35/22/1037293522.db2.gz BARNUGOKGDBGOJ-HDJSIYSDSA-N 1 0 365.386 2.834 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)[NH2+][C@H]2CC[C@@H](c3ccccc3)C2)cc1 ZINC001207473407 1037472296 /nfs/dbraw/zinc/47/22/96/1037472296.db2.gz ABBCMZXPAGNBCR-PIKOESSRSA-N 1 0 356.422 2.915 20 5 FFBDRO CC1([NH+]2CCC2)CCN(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)CC1 ZINC001207948204 1037882014 /nfs/dbraw/zinc/88/20/14/1037882014.db2.gz IJSHSEUDYNZQBS-UHFFFAOYSA-N 1 0 367.837 2.923 20 5 FFBDRO COc1cc(N2CCC([NH2+][C@@H]3CCN(C(C)C)C3)CC2)ccc1[N+](=O)[O-] ZINC001256087033 1038371368 /nfs/dbraw/zinc/37/13/68/1038371368.db2.gz MQXMRZRLNPCFQF-MRXNPFEDSA-N 1 0 362.474 2.645 20 5 FFBDRO COc1cc(N2CCC(N3CCC[N@@H+]4CCC[C@H]4C3)CC2)ccc1[N+](=O)[O-] ZINC001256099562 1038385181 /nfs/dbraw/zinc/38/51/81/1038385181.db2.gz RMNKVYHRRDPSJT-SFHVURJKSA-N 1 0 374.485 2.742 20 5 FFBDRO COc1ncc(-n2cc(N)c(=[NH2+])c(-c3cccc(F)c3)c2)cc1[N+](=O)[O-] ZINC001210136365 1039400744 /nfs/dbraw/zinc/40/07/44/1039400744.db2.gz JZAMOLDWGLGQGU-UHFFFAOYSA-N 1 0 355.329 2.657 20 5 FFBDRO N[C@H]1CC[N@@H+](C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)CC[C@H]1F ZINC001246572179 1039402444 /nfs/dbraw/zinc/40/24/44/1039402444.db2.gz UVDNNOUDXGLPRA-CJNGLKHVSA-N 1 0 372.391 2.603 20 5 FFBDRO c1cnc2c(c1)ccc1ccc(-c3noc(C[C@H]4CO[C@@H]5C[NH2+]C[C@H]45)n3)nc12 ZINC001247918514 1040048265 /nfs/dbraw/zinc/04/82/65/1040048265.db2.gz HNCBTKFPLTXGMM-ZMSDIMECSA-N 1 0 373.416 2.610 20 5 FFBDRO CN(C)c1ccccc1-c1noc(C[C@@H]([NH3+])c2ccccc2[N+](=O)[O-])n1 ZINC001249341947 1040692536 /nfs/dbraw/zinc/69/25/36/1040692536.db2.gz FTBSPGBYKSDBGU-CQSZACIVSA-N 1 0 353.382 2.953 20 5 FFBDRO COc1ccc(CC[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)nc1 ZINC001254468526 1040735342 /nfs/dbraw/zinc/73/53/42/1040735342.db2.gz KULQYJGZMXSDJQ-UHFFFAOYSA-N 1 0 356.426 2.800 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CC[C@@](O)(C(F)(F)F)C3)CC2)cc1 ZINC001254475069 1040743712 /nfs/dbraw/zinc/74/37/12/1040743712.db2.gz ZOUBKVXTMCDPKG-HNNXBMFYSA-N 1 0 359.348 2.563 20 5 FFBDRO CCOCC[NH+](CCOCC)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254479673 1040745267 /nfs/dbraw/zinc/74/52/67/1040745267.db2.gz HBVYTXSWSQDYLQ-UHFFFAOYSA-N 1 0 365.474 2.939 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CC[C@@H](Oc4ncccn4)C3)CC2)cc1 ZINC001254483743 1040749943 /nfs/dbraw/zinc/74/99/43/1040749943.db2.gz XKPQKPWXBNYJHN-GOSISDBHSA-N 1 0 369.425 2.507 20 5 FFBDRO O=C1Nc2cc(Cl)ccc2C[C@H]1[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254581573 1040814942 /nfs/dbraw/zinc/81/49/42/1040814942.db2.gz OLLMVZPBJJOFHI-WMLDXEAASA-N 1 0 357.797 2.868 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H](n1nc(COCC3CC3)c3c1C[NH2+]C3)C2 ZINC001254596656 1040823906 /nfs/dbraw/zinc/82/39/06/1040823906.db2.gz PTLOMPMDPJYSKS-MRXNPFEDSA-N 1 0 354.410 2.661 20 5 FFBDRO CCn1ncc2c1[C@H](COC)C[N@@H+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254597627 1040826983 /nfs/dbraw/zinc/82/69/83/1040826983.db2.gz UIFBMOKVQPWTLT-WMZOPIPTSA-N 1 0 356.426 2.524 20 5 FFBDRO CC[N@H+]([C@@H]1CCOC1)C1CCN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254603066 1040832108 /nfs/dbraw/zinc/83/21/08/1040832108.db2.gz LGPRKSNSKSWTQX-UXHICEINSA-N 1 0 359.470 2.637 20 5 FFBDRO COC(=O)[C@H]1C[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@@H]1c1ccccc1 ZINC001254608772 1040836336 /nfs/dbraw/zinc/83/63/36/1040836336.db2.gz BMOMYFNJIKNFGO-ZCNNSNEGSA-N 1 0 366.417 2.951 20 5 FFBDRO COc1ccc(N([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C2CC[NH2+]CC2)nc1 ZINC001254611821 1040841806 /nfs/dbraw/zinc/84/18/06/1040841806.db2.gz UBBIBNNFLXKSOH-SFHVURJKSA-N 1 0 368.437 2.724 20 5 FFBDRO O=[N+]([O-])c1ccccc1-n1ccc(-c2nc([C@H]3C[NH+]4CCC3CC4)no2)n1 ZINC001254849925 1041005845 /nfs/dbraw/zinc/00/58/45/1041005845.db2.gz GJIZRDHKHYDZMS-ZDUSSCGKSA-N 1 0 366.381 2.640 20 5 FFBDRO CCCCN(C(=O)c1c[nH]nc1[N+](=O)[O-])C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001261373211 1041195190 /nfs/dbraw/zinc/19/51/90/1041195190.db2.gz WYIPKPGOWIGCBY-UHFFFAOYSA-N 1 0 351.451 2.869 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@H]2CN(c3ncc([N+](=O)[O-])cc3Br)C[C@@H]2C1 ZINC001262377335 1041665642 /nfs/dbraw/zinc/66/56/42/1041665642.db2.gz STYZDNBDFZYYOG-SDDRHHMPSA-N 1 0 369.263 2.919 20 5 FFBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)[C@H]3CCCC34CC4)c2)CC1 ZINC001262812039 1041872143 /nfs/dbraw/zinc/87/21/43/1041872143.db2.gz IZFXLSRLZCTBCA-OAHLLOKOSA-N 1 0 358.442 2.865 20 5 FFBDRO C[NH+](C)CC1(NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])CCC1 ZINC001538504420 1070444807 /nfs/dbraw/zinc/44/48/07/1070444807.db2.gz QADVIXXFBPKYIJ-UHFFFAOYSA-N 1 0 354.410 2.871 20 5 FFBDRO O=S(=O)(CC1CC[NH2+]CC1)Nc1cc2cccnc2c2ncccc12 ZINC001237698519 1043318813 /nfs/dbraw/zinc/31/88/13/1043318813.db2.gz DBEXAFIOKBPIGP-UHFFFAOYSA-N 1 0 356.451 2.524 20 5 FFBDRO Cc1cc(S(=O)(=O)NC2CCC(C)([NH+](C)C)CC2)cc([N+](=O)[O-])c1F ZINC001309781077 1043523968 /nfs/dbraw/zinc/52/39/68/1043523968.db2.gz YIUBPOQECGEHHJ-UHFFFAOYSA-N 1 0 373.450 2.584 20 5 FFBDRO CC[N@@H+]1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)[C@@H](C)C1 ZINC001310159358 1043645742 /nfs/dbraw/zinc/64/57/42/1043645742.db2.gz HLVZZYZFWHSXCH-JTQLQIEISA-N 1 0 358.345 2.754 20 5 FFBDRO C[C@@H]1CCC[N@@H+]1CCNC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001313368334 1044331602 /nfs/dbraw/zinc/33/16/02/1044331602.db2.gz DUWSDVNIYIFZJB-NVXWUHKLSA-N 1 0 360.458 2.968 20 5 FFBDRO CC(C)(C)c1ccc2c(c1)CC[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC001318777948 1044870222 /nfs/dbraw/zinc/87/02/22/1044870222.db2.gz CMSAZJKOEIWVEZ-GOSISDBHSA-N 1 0 358.442 2.508 20 5 FFBDRO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC001319897997 1045298124 /nfs/dbraw/zinc/29/81/24/1045298124.db2.gz HFODROAMNCOXQC-LSDHHAIUSA-N 1 0 368.865 2.963 20 5 FFBDRO CC(C)(C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C1=CCOCC1 ZINC001474751604 1045478528 /nfs/dbraw/zinc/47/85/28/1045478528.db2.gz PAOSOVFBQNWENM-UHFFFAOYSA-N 1 0 360.458 2.921 20 5 FFBDRO C[C@@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001539746632 1070691647 /nfs/dbraw/zinc/69/16/47/1070691647.db2.gz QMAJNQNXWIERAV-CZUORRHYSA-N 1 0 351.422 2.998 20 5 FFBDRO CC1(C)[C@H]([NH2+]CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])[C@@H]2CCCO[C@H]21 ZINC001324732945 1046194696 /nfs/dbraw/zinc/19/46/96/1046194696.db2.gz DMYPBBJJVVEXEX-IUIKQTSFSA-N 1 0 367.833 2.980 20 5 FFBDRO CS(=O)(=O)c1ccc(C[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001326050509 1046744825 /nfs/dbraw/zinc/74/48/25/1046744825.db2.gz ICTYFYDXKNJQLB-UHFFFAOYSA-N 1 0 358.803 2.577 20 5 FFBDRO CC1(C)CC[N@H+](CCNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC001289678778 1047717934 /nfs/dbraw/zinc/71/79/34/1047717934.db2.gz JRSFGMCAJLEPIP-UHFFFAOYSA-N 1 0 357.813 2.778 20 5 FFBDRO CC(C)(C)[NH2+]CC(=O)N[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC001327361734 1047865978 /nfs/dbraw/zinc/86/59/78/1047865978.db2.gz UWBUCEWJRXACFU-LBPRGKRZSA-N 1 0 351.300 2.842 20 5 FFBDRO O=[N+]([O-])c1ccc(CN2CCC([NH2+]C3CCOCC3)CC2)cc1Cl ZINC001331566378 1048011020 /nfs/dbraw/zinc/01/10/20/1048011020.db2.gz UNSDTRVZOSAJIF-UHFFFAOYSA-N 1 0 353.850 2.981 20 5 FFBDRO CC[NH+](CC)C1CCN(S(=O)(=O)c2cc(F)c(C)cc2[N+](=O)[O-])CC1 ZINC001329754700 1048893144 /nfs/dbraw/zinc/89/31/44/1048893144.db2.gz MSIFMEKWCCKVGC-UHFFFAOYSA-N 1 0 373.450 2.537 20 5 FFBDRO CC[NH+](CC)C1CCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)CC1 ZINC001330517530 1049189735 /nfs/dbraw/zinc/18/97/35/1049189735.db2.gz QCGQBZBKBKBWFQ-UHFFFAOYSA-N 1 0 371.441 2.931 20 5 FFBDRO Cn1cc([C@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)c2ccccc2)cn1 ZINC001330617264 1049232125 /nfs/dbraw/zinc/23/21/25/1049232125.db2.gz AZZCAFWSCAXOQZ-LEOMRAHMSA-N 1 0 352.398 2.608 20 5 FFBDRO COc1ccc([C@@H]2C[NH2+]CCN2C(=O)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC001330931247 1049398776 /nfs/dbraw/zinc/39/87/76/1049398776.db2.gz WGLVFZKAQJJGNZ-KRWDZBQOSA-N 1 0 359.357 2.529 20 5 FFBDRO C[NH+]1C[C@]2(C)CN(c3ncnc4c(Cl)cc([N+](=O)[O-])cc43)C[C@@]2(C)C1 ZINC001307178586 1049811632 /nfs/dbraw/zinc/81/16/32/1049811632.db2.gz DOGSCCQBZOSLGX-IAGOWNOFSA-N 1 0 361.833 2.969 20 5 FFBDRO CC(C)Oc1nc(N2CCN(c3cc[nH+]cc3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC001307213499 1050078237 /nfs/dbraw/zinc/07/82/37/1050078237.db2.gz HLCBFLGNVYVAOT-AWEZNQCLSA-N 1 0 357.414 2.887 20 5 FFBDRO O=C(N[C@@H]1CC2(CC[NH2+]CC2)Oc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC001341638863 1050264093 /nfs/dbraw/zinc/26/40/93/1050264093.db2.gz WWUIXWNEICEXAG-MRXNPFEDSA-N 1 0 367.405 2.971 20 5 FFBDRO COc1ccc(CNC(=O)[C@H]2CCCCC23CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC001339862849 1050281808 /nfs/dbraw/zinc/28/18/08/1050281808.db2.gz ZVDVADFFBPWHNQ-OAHLLOKOSA-N 1 0 361.442 2.780 20 5 FFBDRO [NH3+]CCc1ccc2c(c1)CCCN2C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC001342278290 1050868294 /nfs/dbraw/zinc/86/82/94/1050868294.db2.gz SUSJMVVBVXLGOC-UHFFFAOYSA-N 1 0 369.421 2.844 20 5 FFBDRO C[C@@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001301482968 1050902937 /nfs/dbraw/zinc/90/29/37/1050902937.db2.gz RAZPSERHTONAJC-BLLLJJGKSA-N 1 0 364.402 2.695 20 5 FFBDRO C[C@@H]1CN(C(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)C[C@H]1CC[NH3+] ZINC001342448871 1051046968 /nfs/dbraw/zinc/04/69/68/1051046968.db2.gz LZYNUYGPCBSHAH-NVXWUHKLSA-N 1 0 374.485 2.888 20 5 FFBDRO CC(C)(C(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC001342480884 1051081461 /nfs/dbraw/zinc/08/14/61/1051081461.db2.gz GKPWOIYFBZJSCB-STQMWFEESA-N 1 0 359.348 2.611 20 5 FFBDRO CCOc1ccc(C(=O)N2C[C@@H](C[NH3+])Cc3cc(F)ccc32)cc1[N+](=O)[O-] ZINC001342534197 1051137741 /nfs/dbraw/zinc/13/77/41/1051137741.db2.gz CDJRANVDAPUINO-GFCCVEGCSA-N 1 0 373.384 2.910 20 5 FFBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N(C)CC2CC[NH2+]CC2)CC1 ZINC001342791567 1051400885 /nfs/dbraw/zinc/40/08/85/1051400885.db2.gz NZBSLLVXSHJXFK-UHFFFAOYSA-N 1 0 374.485 2.903 20 5 FFBDRO C[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H]1C)[NH+](C)C ZINC001303697104 1051427426 /nfs/dbraw/zinc/42/74/26/1051427426.db2.gz WDXRYJHSILMJCP-KGLIPLIRSA-N 1 0 358.446 2.792 20 5 FFBDRO [NH3+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC001342858915 1051467779 /nfs/dbraw/zinc/46/77/79/1051467779.db2.gz LBYOCDOLRLOAHD-RBAQFSTRSA-N 1 0 365.433 2.874 20 5 FFBDRO CC(C)[NH2+][C@H]1CCCN(C(=O)COc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC001306485055 1052133309 /nfs/dbraw/zinc/13/33/09/1052133309.db2.gz GZHWORSFABJMDK-AWEZNQCLSA-N 1 0 372.425 2.511 20 5 FFBDRO COC(=O)c1cnc(NCCC2CC[NH+](C(C)C)CC2)c([N+](=O)[O-])c1 ZINC001307177508 1052262227 /nfs/dbraw/zinc/26/22/27/1052262227.db2.gz HMZFUVIUKQAVFQ-UHFFFAOYSA-N 1 0 350.419 2.699 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](CC(C)C)C[C@@H](O)c1ccc(F)cc1 ZINC001307478774 1052312171 /nfs/dbraw/zinc/31/21/71/1052312171.db2.gz JYNPVLFTWLJGGC-QGZVFWFLSA-N 1 0 364.421 2.930 20 5 FFBDRO CC1([C@H]2CCC[N@H+](Cc3nnc(-c4ccccc4[N+](=O)[O-])o3)C2)OCCO1 ZINC001307600443 1052326273 /nfs/dbraw/zinc/32/62/73/1052326273.db2.gz BRTLBKBUTFIUCU-ZDUSSCGKSA-N 1 0 374.397 2.620 20 5 FFBDRO CC(C)Cn1c([C@@H](C)[N+](=O)[O-])nnc1N1CCC(C)([NH+]2CCCC2)CC1 ZINC001343629333 1052345228 /nfs/dbraw/zinc/34/52/28/1052345228.db2.gz AVGZZZMVTHZUEW-OAHLLOKOSA-N 1 0 364.494 2.727 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(Cc2nc(C3CCC3)no2)CC1 ZINC001307995711 1052380365 /nfs/dbraw/zinc/38/03/65/1052380365.db2.gz DJZYBMKAOXDUHR-UHFFFAOYSA-N 1 0 374.445 2.705 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[N@H+](C3CCCC3)[C@H](C)C2)c1 ZINC001308079619 1052401336 /nfs/dbraw/zinc/40/13/36/1052401336.db2.gz NUHQLCKUGWBFMS-CQSZACIVSA-N 1 0 361.442 2.830 20 5 FFBDRO O=[N+]([O-])c1cccc(Br)c1C[NH2+]CC(O)(C1CC1)C1CC1 ZINC001308464962 1052458234 /nfs/dbraw/zinc/45/82/34/1052458234.db2.gz SPLUQZJCBPFTLL-UHFFFAOYSA-N 1 0 355.232 2.998 20 5 FFBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])[C@H]1OC ZINC001308918542 1052518650 /nfs/dbraw/zinc/51/86/50/1052518650.db2.gz LTQJWDMRPGVLCF-MRVWCRGKSA-N 1 0 359.220 2.639 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)NCCc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC001334918226 1053150142 /nfs/dbraw/zinc/15/01/42/1053150142.db2.gz PCEPDBXKDUCTJD-SOLBZPMBSA-N 1 0 360.458 2.509 20 5 FFBDRO O=[N+]([O-])c1cnc2ccc(F)cc2c1N1CCC([NH+]2CCOCC2)CC1 ZINC001335071943 1053205995 /nfs/dbraw/zinc/20/59/95/1053205995.db2.gz IMGAJVNCRYTFQE-UHFFFAOYSA-N 1 0 360.389 2.583 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)C[C@H]2C1 ZINC001335343930 1053307231 /nfs/dbraw/zinc/30/72/31/1053307231.db2.gz ZNKBAKDYBCRNDA-BFHYXJOUSA-N 1 0 356.426 2.878 20 5 FFBDRO C[C@](O)(C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1Cl ZINC001335412612 1053347333 /nfs/dbraw/zinc/34/73/33/1053347333.db2.gz PYWBMHJFXLPZDO-IRXDYDNUSA-N 1 0 350.802 2.779 20 5 FFBDRO Cn1ncc([N+](=O)[O-])c1N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC001335442051 1053367258 /nfs/dbraw/zinc/36/72/58/1053367258.db2.gz VTHHSUALZFKUSH-SJORKVTESA-N 1 0 355.442 2.819 20 5 FFBDRO C[C@@H](CNC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1)c1ccccc1[N+](=O)[O-] ZINC001335680515 1053502253 /nfs/dbraw/zinc/50/22/53/1053502253.db2.gz DUEGRNJLZRBNBV-WMLDXEAASA-N 1 0 360.458 2.872 20 5 FFBDRO Cc1nn(C[N@@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)c2ncc([N+](=O)[O-])cc12 ZINC001347244912 1053753612 /nfs/dbraw/zinc/75/36/12/1053753612.db2.gz WPHNJLNRLUZLGG-YOEHRIQHSA-N 1 0 359.430 2.887 20 5 FFBDRO C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001336200977 1053836096 /nfs/dbraw/zinc/83/60/96/1053836096.db2.gz JFCFXHOYNQKOCE-HNNXBMFYSA-N 1 0 354.410 2.871 20 5 FFBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1Nc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC001336560208 1054062761 /nfs/dbraw/zinc/06/27/61/1054062761.db2.gz FBULVXIDCIYTAW-DYVFJYSZSA-N 1 0 358.442 2.725 20 5 FFBDRO O=C(c1cc(C(F)(F)F)ccc1[N+](=O)[O-])N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001347772342 1054304635 /nfs/dbraw/zinc/30/46/35/1054304635.db2.gz XHMYVMOHFMSHQR-GFCCVEGCSA-N 1 0 357.332 2.924 20 5 FFBDRO O=C(O[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 ZINC001348361233 1054652745 /nfs/dbraw/zinc/65/27/45/1054652745.db2.gz CDDMLAZHDRTAMF-FUHWJXTLSA-N 1 0 370.409 2.623 20 5 FFBDRO COc1cccc(F)c1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC001352098550 1055190476 /nfs/dbraw/zinc/19/04/76/1055190476.db2.gz VCLKSKLFLFYKKH-UHFFFAOYSA-N 1 0 360.389 2.896 20 5 FFBDRO Cc1c(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000847253264 1055320574 /nfs/dbraw/zinc/32/05/74/1055320574.db2.gz ABGUWEGCRWYPIG-GJZGRUSLSA-N 1 0 362.386 2.558 20 5 FFBDRO COc1cc(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)cc(Cl)c1OC ZINC001352848810 1055862433 /nfs/dbraw/zinc/86/24/33/1055862433.db2.gz DLQSPSQZHGHYNZ-UHFFFAOYSA-N 1 0 366.805 2.955 20 5 FFBDRO [NH3+][C@H](CCNC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC001357969080 1056083433 /nfs/dbraw/zinc/08/34/33/1056083433.db2.gz FFXFDELKOFRMPG-NZSAHSFTSA-N 1 0 353.422 2.775 20 5 FFBDRO Cn1c(C(=O)NCCc2ccc([N+](=O)[O-])cc2)ccc1[C@@H]1CCCC[NH2+]1 ZINC001353212556 1056192878 /nfs/dbraw/zinc/19/28/78/1056192878.db2.gz WXVIMEWTDSMWJF-INIZCTEOSA-N 1 0 356.426 2.720 20 5 FFBDRO C[C@@H]1CC[N@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1(C)C ZINC001473365746 1056253478 /nfs/dbraw/zinc/25/34/78/1056253478.db2.gz UCFDWPHQFDSRMP-MRXNPFEDSA-N 1 0 374.485 2.611 20 5 FFBDRO CCN(c1nnc(C[N+](=O)[O-])n1CC)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001339454022 1056468783 /nfs/dbraw/zinc/46/87/83/1056468783.db2.gz FYQHAQQLYLLUFW-WBVHZDCISA-N 1 0 372.473 2.737 20 5 FFBDRO CCn1c(-c2c[nH]c([N+](=O)[O-])c2)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC001339549719 1056573596 /nfs/dbraw/zinc/57/35/96/1056573596.db2.gz OVXYLYOMXYTRFU-ZDUSSCGKSA-N 1 0 373.461 2.512 20 5 FFBDRO CC[N@@H+]1C[C@@H](NC(=O)c2c(Br)cccc2[N+](=O)[O-])C(C)(C)C1 ZINC001472058973 1058337087 /nfs/dbraw/zinc/33/70/87/1058337087.db2.gz RHQWUAHBVGMCKY-GFCCVEGCSA-N 1 0 370.247 2.817 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCC[N@@H+]2C)cc1SC ZINC001518485527 1058398243 /nfs/dbraw/zinc/39/82/43/1058398243.db2.gz JGSGXWLCBPXDNK-LLVKDONJSA-N 1 0 353.444 2.539 20 5 FFBDRO CC[N@H+](C)[C@@H]1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC001472448591 1058650571 /nfs/dbraw/zinc/65/05/71/1058650571.db2.gz OGKIZJRUDVHILA-GFCCVEGCSA-N 1 0 356.220 2.524 20 5 FFBDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC001453390865 1059363507 /nfs/dbraw/zinc/36/35/07/1059363507.db2.gz PFVYLSJLFDTJGY-JTQLQIEISA-N 1 0 372.828 2.820 20 5 FFBDRO C[C@@H](CC[NH+](C)C)C(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC001455244330 1059737809 /nfs/dbraw/zinc/73/78/09/1059737809.db2.gz GHCOOWYWPCZFHG-JTQLQIEISA-N 1 0 358.236 2.561 20 5 FFBDRO O=C(NC[C@H]1CCC[NH2+]CC1)c1cc(F)cc([N+](=O)[O-])c1Br ZINC001515669724 1059741272 /nfs/dbraw/zinc/74/12/72/1059741272.db2.gz KZLBHWWIOSUJKQ-VIFPVBQESA-N 1 0 374.210 2.616 20 5 FFBDRO C[C@@H]1CN(C(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC001355077392 1059860315 /nfs/dbraw/zinc/86/03/15/1059860315.db2.gz LXWGYGQPWUNFBN-KCYZZUKISA-N 1 0 374.485 2.744 20 5 FFBDRO CCC[N@@H+]1CCC[C@H](C(=O)NCCCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC001455683228 1059870961 /nfs/dbraw/zinc/87/09/61/1059870961.db2.gz WHAMGSQRPAQELX-AWEZNQCLSA-N 1 0 373.457 2.642 20 5 FFBDRO CC[N@@H+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C2CC2)C[C@H]1C ZINC001515904463 1059875276 /nfs/dbraw/zinc/87/52/76/1059875276.db2.gz IYSNAADYBAFZJJ-CYBMUJFWSA-N 1 0 356.430 2.719 20 5 FFBDRO CCc1ccc(C[NH+]2CCN(c3nnc([C@H](C)[N+](=O)[O-])n3CC)CC2)cc1 ZINC001520819753 1060113575 /nfs/dbraw/zinc/11/35/75/1060113575.db2.gz AUKITFXQHIVXOA-HNNXBMFYSA-N 1 0 372.473 2.520 20 5 FFBDRO CCc1ccc(C[NH+]2CCN(c3nnc([C@@H](C)[N+](=O)[O-])n3CC)CC2)cc1 ZINC001520819754 1060113730 /nfs/dbraw/zinc/11/37/30/1060113730.db2.gz AUKITFXQHIVXOA-OAHLLOKOSA-N 1 0 372.473 2.520 20 5 FFBDRO CCn1c(-c2ccc([N+](=O)[O-])o2)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC001520820723 1060114655 /nfs/dbraw/zinc/11/46/55/1060114655.db2.gz RAJUTPGALAMJDZ-CYBMUJFWSA-N 1 0 362.434 2.634 20 5 FFBDRO CCNC(=O)C[C@H]1CCCC[N@@H+]1Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000848487401 1060133418 /nfs/dbraw/zinc/13/34/18/1060133418.db2.gz RSMIVIFOQREFSK-MRXNPFEDSA-N 1 0 371.441 2.797 20 5 FFBDRO COC(=O)Cc1ccccc1C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000848573631 1060297834 /nfs/dbraw/zinc/29/78/34/1060297834.db2.gz WYXUTTHGCVNUDZ-IAGOWNOFSA-N 1 0 372.425 2.780 20 5 FFBDRO O=C1O[C@H](C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CN1C1CC1 ZINC000848577383 1060304959 /nfs/dbraw/zinc/30/49/59/1060304959.db2.gz FACANHCERRPRJJ-CQSZACIVSA-N 1 0 357.366 2.928 20 5 FFBDRO O=C(N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1cc(F)cc([N+](=O)[O-])c1 ZINC001355545761 1060346223 /nfs/dbraw/zinc/34/62/23/1060346223.db2.gz DMCSWZWVFHIWGB-LPHOPBHVSA-N 1 0 371.368 2.720 20 5 FFBDRO CC(C)Oc1nc(N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)ccc1[N+](=O)[O-] ZINC001458594265 1060629668 /nfs/dbraw/zinc/62/96/68/1060629668.db2.gz MBFRLEAUJPTARW-OCCSQVGLSA-N 1 0 352.460 2.769 20 5 FFBDRO O=c1oc2cccc([N+](=O)[O-])c2n1Cc1nccn1Cc1ccccc1 ZINC001459059487 1060699899 /nfs/dbraw/zinc/69/98/99/1060699899.db2.gz SUYJFPJLZACFCJ-UHFFFAOYSA-N 1 0 350.334 2.796 20 5 FFBDRO CC[C@@H]1Oc2cc([C@@H](C)[NH2+]CCn3c(C)ncc3[N+](=O)[O-])ccc2NC1=O ZINC001459847063 1060829283 /nfs/dbraw/zinc/82/92/83/1060829283.db2.gz AJQRPFHJZMXJAP-ABAIWWIYSA-N 1 0 373.413 2.560 20 5 FFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCCC[C@@H]2N2CCOCC2)c(Cl)c1 ZINC001459961342 1060858296 /nfs/dbraw/zinc/85/82/96/1060858296.db2.gz IMVJVDWVZOFOQT-SJORKVTESA-N 1 0 353.850 2.981 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+]C(C)(C)[C@@H]1CCCCO1 ZINC001460658456 1061049541 /nfs/dbraw/zinc/04/95/41/1061049541.db2.gz BECHANBAFROODT-INIZCTEOSA-N 1 0 365.430 2.869 20 5 FFBDRO COc1ccc(OCCN2CCN(c3cc[nH+]cc3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC001460801030 1061109073 /nfs/dbraw/zinc/10/90/73/1061109073.db2.gz KSIBZAVNNASMNO-OAHLLOKOSA-N 1 0 372.425 2.588 20 5 FFBDRO C[C@@]12CSC[C@@H]1C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C2 ZINC001460897260 1061143887 /nfs/dbraw/zinc/14/38/87/1061143887.db2.gz BUEUHDNGNHHCCI-MEDUHNTESA-N 1 0 353.419 2.747 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](C)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC001462254013 1061556082 /nfs/dbraw/zinc/55/60/82/1061556082.db2.gz DRVPVBGMSMIXHN-AWEZNQCLSA-N 1 0 367.446 2.529 20 5 FFBDRO CNc1cc(CNC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)ccn1 ZINC001478069441 1061893384 /nfs/dbraw/zinc/89/33/84/1061893384.db2.gz IUXDATFKKIXWTQ-UHFFFAOYSA-N 1 0 357.414 2.854 20 5 FFBDRO CC[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C ZINC001463064641 1061922279 /nfs/dbraw/zinc/92/22/79/1061922279.db2.gz MIGFTXXIYPRUOG-OAHLLOKOSA-N 1 0 369.487 2.754 20 5 FFBDRO O=C(N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc([N+](=O)[O-])s1 ZINC001523536538 1062509514 /nfs/dbraw/zinc/50/95/14/1062509514.db2.gz BYZGQLKZBXRCEO-YVEFUNNKSA-N 1 0 359.407 2.642 20 5 FFBDRO CCN(C(=O)Cn1c2ccccc2c(=O)c2ccccc21)[C@@H]1CCC[NH2+]C1 ZINC001524265631 1062781719 /nfs/dbraw/zinc/78/17/19/1062781719.db2.gz DLJOIQZSOVUOEH-MRXNPFEDSA-N 1 0 363.461 2.755 20 5 FFBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001471030878 1064529591 /nfs/dbraw/zinc/52/95/91/1064529591.db2.gz OBGMUKUVZNQCOQ-GOEBONIOSA-N 1 0 368.437 2.675 20 5 FFBDRO Cc1ccc(NCCNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)nc1 ZINC001472010312 1064889924 /nfs/dbraw/zinc/88/99/24/1064889924.db2.gz AYUYXGWIACIVBV-UHFFFAOYSA-N 1 0 351.366 2.688 20 5 FFBDRO CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001472035792 1064901271 /nfs/dbraw/zinc/90/12/71/1064901271.db2.gz OMOAISDYMJKZJF-AWEZNQCLSA-N 1 0 353.850 2.979 20 5 FFBDRO CC(C)c1nnc(N(C)CCc2ccccc2[N+](=O)[O-])n1C[C@H]([NH3+])C(C)C ZINC001575879063 1078172673 /nfs/dbraw/zinc/17/26/73/1078172673.db2.gz MHODWMXDGFSVAR-INIZCTEOSA-N 1 0 374.489 2.972 20 5 FFBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H](O)COc1ccc2cc[nH]c2c1 ZINC001473415886 1065259023 /nfs/dbraw/zinc/25/90/23/1065259023.db2.gz FWDCBPNGHIIWTE-SFHVURJKSA-N 1 0 369.421 2.990 20 5 FFBDRO C[C@H](Cc1cccnc1)[NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC001473874304 1065401110 /nfs/dbraw/zinc/40/11/10/1065401110.db2.gz CNQGVBUINPFWSC-CYBMUJFWSA-N 1 0 356.382 2.509 20 5 FFBDRO COc1ccc(N2C[C@@H]([NH2+]CCc3ccc([N+](=O)[O-])cc3)CC2=O)cc1 ZINC001474619692 1065562841 /nfs/dbraw/zinc/56/28/41/1065562841.db2.gz GFCIXQGDAWEVKC-HNNXBMFYSA-N 1 0 355.394 2.541 20 5 FFBDRO C[C@H]1[NH2+]CC[C@@H]1NC(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC001576592687 1078246846 /nfs/dbraw/zinc/24/68/46/1078246846.db2.gz RPBHCQCQTNOZEU-AYDFFVQHSA-N 1 0 360.458 2.557 20 5 FFBDRO C[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2=CC[NH2+]CC2)C1 ZINC001576738640 1078268818 /nfs/dbraw/zinc/26/88/18/1078268818.db2.gz XKDSUUSVUCYJBT-AWEZNQCLSA-N 1 0 368.441 2.619 20 5 FFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC001577096343 1078303218 /nfs/dbraw/zinc/30/32/18/1078303218.db2.gz KSJSUIWQDYLETC-MRVWCRGKSA-N 1 0 359.348 2.512 20 5 FFBDRO CC/C=C\Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H]([NH2+]C)C1 ZINC001577313288 1078336314 /nfs/dbraw/zinc/33/63/14/1078336314.db2.gz ZGYVFHQYDDAAIL-XVWMLYKFSA-N 1 0 356.430 2.618 20 5 FFBDRO CC[NH2+]CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](C)[C@H]1C ZINC001577858393 1078408958 /nfs/dbraw/zinc/40/89/58/1078408958.db2.gz SVSBKQIWWRLKPZ-ZIAGYGMSSA-N 1 0 358.446 2.698 20 5 FFBDRO CC[NH2+][C@H](C)CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC001577887219 1078410663 /nfs/dbraw/zinc/41/06/63/1078410663.db2.gz UZDZIBQFCLIBCW-CQSZACIVSA-N 1 0 356.426 2.935 20 5 FFBDRO C[NH2+][C@@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2[C@H]2C[C@H]2C)C1 ZINC001578596917 1078497584 /nfs/dbraw/zinc/49/75/84/1078497584.db2.gz SJVATQVDJCFDQP-XPKDYRNWSA-N 1 0 356.430 2.622 20 5 FFBDRO C[NH2+]C[C@H](C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H]1C ZINC001578629511 1078505735 /nfs/dbraw/zinc/50/57/35/1078505735.db2.gz NOCWIDYHCBUSLP-UONOGXRCSA-N 1 0 358.446 2.698 20 5 FFBDRO C[NH2+]CCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](C2CC2)C1 ZINC001578693972 1078518447 /nfs/dbraw/zinc/51/84/47/1078518447.db2.gz DXPVZJABGABQQE-INIZCTEOSA-N 1 0 370.457 2.699 20 5 FFBDRO Cc1c(Br)cc(C(=O)N2CCCC[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC001579517188 1078638973 /nfs/dbraw/zinc/63/89/73/1078638973.db2.gz ZUYXMHXVWQYHNO-NSHDSACASA-N 1 0 356.220 2.619 20 5 FFBDRO Cc1c(CNC(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC001579534281 1078640722 /nfs/dbraw/zinc/64/07/22/1078640722.db2.gz CCDCWGQJASVBBH-DOTOQJQBSA-N 1 0 372.400 2.679 20 5 FFBDRO Cc1cc(OCC(=O)N2CCCc3cc(C[NH3+])ccc32)ccc1[N+](=O)[O-] ZINC001579639866 1078653643 /nfs/dbraw/zinc/65/36/43/1078653643.db2.gz WCVLGLLXZZHOLI-UHFFFAOYSA-N 1 0 355.394 2.720 20 5 FFBDRO [NH3+]Cc1ccc2c(c1)N(C(=O)CSc1ccccc1[N+](=O)[O-])CCO2 ZINC001580340062 1078788818 /nfs/dbraw/zinc/78/88/18/1078788818.db2.gz LTFSCLPIQBQORC-UHFFFAOYSA-N 1 0 359.407 2.571 20 5 FFBDRO O=C(NC1(C2CC[NH2+]CC2)CC1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001580595330 1078830950 /nfs/dbraw/zinc/83/09/50/1078830950.db2.gz CGLPRTQVEPTKOZ-UHFFFAOYSA-N 1 0 357.332 2.876 20 5 FFBDRO O=C(NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)[C@@H]1C[NH2+]CCC12CCC2 ZINC001580707971 1078850172 /nfs/dbraw/zinc/85/01/72/1078850172.db2.gz HLEOTOOUCCHNDP-NSHDSACASA-N 1 0 355.797 2.783 20 5 FFBDRO O=C(Nc1ccc(F)c([N+](=O)[O-])c1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC001580766666 1078856114 /nfs/dbraw/zinc/85/61/14/1078856114.db2.gz JZXHRZYHWDFLSB-CYBMUJFWSA-N 1 0 350.394 2.977 20 5 FFBDRO C[NH+](C)CC[C@@H](NC(=O)Nc1ccc(F)c([N+](=O)[O-])c1)c1cccnc1 ZINC001562866068 1074071891 /nfs/dbraw/zinc/07/18/91/1074071891.db2.gz HLLXIMGQAPWTPE-OAHLLOKOSA-N 1 0 361.377 2.943 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](CC[NH+](C)C)C2)cc1SC ZINC001558294537 1075974526 /nfs/dbraw/zinc/97/45/26/1075974526.db2.gz WJWVFOWSNRMEJN-LBPRGKRZSA-N 1 0 367.471 2.739 20 5 FFBDRO COc1ccc(C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C(C)C)cc1[N+](=O)[O-] ZINC001558767939 1076072866 /nfs/dbraw/zinc/07/28/66/1076072866.db2.gz RPIAHDRWJNZHBW-HOTGVXAUSA-N 1 0 361.442 2.938 20 5 FFBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC001560109010 1076228518 /nfs/dbraw/zinc/22/85/18/1076228518.db2.gz RCZVPKRBCFDNCO-CABCVRRESA-N 1 0 369.425 2.528 20 5 FFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC001560109013 1076228661 /nfs/dbraw/zinc/22/86/61/1076228661.db2.gz RCZVPKRBCFDNCO-LSDHHAIUSA-N 1 0 369.425 2.528 20 5 FFBDRO O=C(CC[NH+]1CCC(c2ncccn2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC001560157620 1076238065 /nfs/dbraw/zinc/23/80/65/1076238065.db2.gz ILXBJJGWXDZYAE-UHFFFAOYSA-N 1 0 355.398 2.593 20 5 FFBDRO Cc1cc(C)c(S(=O)(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC001561125505 1076335912 /nfs/dbraw/zinc/33/59/12/1076335912.db2.gz OFODQQJLNSKUAQ-WFASDCNBSA-N 1 0 369.487 2.610 20 5 FFBDRO CC[NH+](CC)C[C@H](C)NS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1C ZINC001561474436 1076381409 /nfs/dbraw/zinc/38/14/09/1076381409.db2.gz FDTPHNJUEMLOCN-NSHDSACASA-N 1 0 363.867 2.565 20 5 FFBDRO Cc1cc(C)c(S(=O)(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC001561474306 1076381552 /nfs/dbraw/zinc/38/15/52/1076381552.db2.gz ATOXSZNSVCBZEX-WFASDCNBSA-N 1 0 369.487 2.610 20 5 FFBDRO C[NH+](C)C1(CS(=O)(=O)Oc2cc(Cl)c([N+](=O)[O-])cc2Cl)CC1 ZINC001561956474 1076453568 /nfs/dbraw/zinc/45/35/68/1076453568.db2.gz PJLGYNOPEDVVJB-UHFFFAOYSA-N 1 0 369.226 2.704 20 5 FFBDRO Cc1ccc(CNC(=O)NCC[N@@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC001563751273 1076580430 /nfs/dbraw/zinc/58/04/30/1076580430.db2.gz MAAZDBBAGUUTBD-UHFFFAOYSA-N 1 0 356.426 2.834 20 5 FFBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC001565715639 1076756790 /nfs/dbraw/zinc/75/67/90/1076756790.db2.gz NTTLAMMKFPQFMK-SECBINFHSA-N 1 0 358.801 2.574 20 5 FFBDRO CCc1ccccc1C[NH+]1CCC(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001568126071 1077072529 /nfs/dbraw/zinc/07/25/29/1077072529.db2.gz OVSYDUQPBYWZJD-RTBURBONSA-N 1 0 359.470 2.633 20 5 FFBDRO CCC1([NH2+]Cc2csc(C)c2)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001570254739 1077193556 /nfs/dbraw/zinc/19/35/56/1077193556.db2.gz ATLIHIZGKJUVQM-HUUCEWRRSA-N 1 0 351.472 2.583 20 5 FFBDRO Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)c3cc([N+](=O)[O-])c(F)cc3N)C2)cc1 ZINC001587796438 1079865980 /nfs/dbraw/zinc/86/59/80/1079865980.db2.gz LNJWRZBFDMAZCU-CQSZACIVSA-N 1 0 372.400 2.629 20 5 FFBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(c2ccc(-c3nn[nH]n3)c([N+](=O)[O-])c2)C1 ZINC001590227876 1081108434 /nfs/dbraw/zinc/10/84/34/1081108434.db2.gz TYEXLYDSSSQAKE-UMVBOHGHSA-N 1 0 371.445 2.617 20 5 FFBDRO C[N@H+](CCNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)C1CCCCC1 ZINC000067237587 205368091 /nfs/dbraw/zinc/36/80/91/205368091.db2.gz JNSOOBRKZMAUOS-UHFFFAOYSA-N 1 0 371.441 2.775 20 5 FFBDRO Nc1c(C(=O)NC2CC[NH+](CC3CCCC3)CC2)cc(F)cc1[N+](=O)[O-] ZINC000109372578 206054420 /nfs/dbraw/zinc/05/44/20/206054420.db2.gz WWJISZFTTMPAJS-UHFFFAOYSA-N 1 0 364.421 2.701 20 5 FFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000110629705 206334276 /nfs/dbraw/zinc/33/42/76/206334276.db2.gz BNDYFRKGTIRYMI-OCCSQVGLSA-N 1 0 366.849 2.745 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)Cc1cn2c(n1)CCCC2 ZINC000372988939 512120866 /nfs/dbraw/zinc/12/08/66/512120866.db2.gz FLMXOXUGZRDKIK-UHFFFAOYSA-N 1 0 371.441 2.897 20 5 FFBDRO COc1cc(C[NH2+]C[C@H](c2ccco2)N2CCCC2)c([N+](=O)[O-])cc1O ZINC000101588794 250081362 /nfs/dbraw/zinc/08/13/62/250081362.db2.gz RWZSSMSAKFMPNX-OAHLLOKOSA-N 1 0 361.398 2.829 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)cc1SC ZINC000103070036 250132646 /nfs/dbraw/zinc/13/26/46/250132646.db2.gz ZUDREOYLPSYJSC-GFCCVEGCSA-N 1 0 367.471 2.787 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc1SC ZINC000103084561 250134330 /nfs/dbraw/zinc/13/43/30/250134330.db2.gz RZRNYILAKDVBTP-LBPRGKRZSA-N 1 0 365.455 2.636 20 5 FFBDRO C[C@@H]1CN(C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000269230187 251399399 /nfs/dbraw/zinc/39/93/99/251399399.db2.gz VJWBXDBFGZOMPI-PWSUYJOCSA-N 1 0 374.363 2.611 20 5 FFBDRO Cc1cc(N2CCC[C@@H](c3nncn3C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272828950 252141146 /nfs/dbraw/zinc/14/11/46/252141146.db2.gz KRFJRXYSGJSWMW-CYBMUJFWSA-N 1 0 352.398 2.964 20 5 FFBDRO C[NH+](C)CCc1ccc(Nc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1 ZINC000272873239 252153270 /nfs/dbraw/zinc/15/32/70/252153270.db2.gz TUNWYUFTFOYJSO-UHFFFAOYSA-N 1 0 369.468 2.908 20 5 FFBDRO C[NH+]1CCC(C)(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CC1 ZINC000273035202 252197410 /nfs/dbraw/zinc/19/74/10/252197410.db2.gz UHVNGNUBCMJNQF-UHFFFAOYSA-N 1 0 360.458 2.657 20 5 FFBDRO C[NH+]1CCC([C@H]2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3F)C2)CC1 ZINC000273359916 252290860 /nfs/dbraw/zinc/29/08/60/252290860.db2.gz DYRWMVNZPJMALH-ZDUSSCGKSA-N 1 0 350.394 2.930 20 5 FFBDRO Cc1cc(NC(=O)NCC2([NH+]3CCCC3)CCOCC2)ccc1[N+](=O)[O-] ZINC000274789333 255919351 /nfs/dbraw/zinc/91/93/51/255919351.db2.gz HOHXTABCOYZQFI-UHFFFAOYSA-N 1 0 362.430 2.670 20 5 FFBDRO CS[C@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@@H]1[NH+]1CCCC1 ZINC000275810988 256050267 /nfs/dbraw/zinc/05/02/67/256050267.db2.gz QAGVQHZPMOLNBB-GJZGRUSLSA-N 1 0 350.444 2.638 20 5 FFBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 ZINC000277392178 256193108 /nfs/dbraw/zinc/19/31/08/256193108.db2.gz XMCGENDYWMYGRK-INIZCTEOSA-N 1 0 360.458 2.751 20 5 FFBDRO O=C1OCCN1c1cc([N+](=O)[O-])ccc1NCC1CC[NH+](C2CC2)CC1 ZINC000277705766 256229663 /nfs/dbraw/zinc/22/96/63/256229663.db2.gz ICIIAFMIQDQWAP-UHFFFAOYSA-N 1 0 360.414 2.838 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(N3CCOCC3)n1)CCC2 ZINC000278704997 256340415 /nfs/dbraw/zinc/34/04/15/256340415.db2.gz LEYLDMNISYDDNI-IBGZPJMESA-N 1 0 368.437 2.994 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000278726085 256341664 /nfs/dbraw/zinc/34/16/64/256341664.db2.gz LKYSBAUHXIGMGR-AWEZNQCLSA-N 1 0 362.430 2.620 20 5 FFBDRO COc1cc(CNCc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc(OC)c1OC ZINC000278806187 256349954 /nfs/dbraw/zinc/34/99/54/256349954.db2.gz YEILYGWYQDDTLD-UHFFFAOYSA-N 1 0 372.381 2.787 20 5 FFBDRO Cc1cnccc1OC1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000278806471 256350001 /nfs/dbraw/zinc/35/00/01/256350001.db2.gz ZGNDYRZJMFJMSE-UHFFFAOYSA-N 1 0 374.372 2.703 20 5 FFBDRO CC1(C)C[C@@H]([NH2+]Cc2cccc(OCC(N)=O)c2)c2cc([N+](=O)[O-])ccc21 ZINC000279003475 256370940 /nfs/dbraw/zinc/37/09/40/256370940.db2.gz GDMDSBUZDNCOHM-GOSISDBHSA-N 1 0 369.421 2.971 20 5 FFBDRO CN(C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])[C@@H]1CCC[N@H+](C)C1 ZINC000280873804 256579085 /nfs/dbraw/zinc/57/90/85/256579085.db2.gz FKLWBRCQYLYORA-OAHLLOKOSA-N 1 0 354.410 2.823 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)CCOc2cc(C)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000281157876 256610645 /nfs/dbraw/zinc/61/06/45/256610645.db2.gz CHELTEWVFGWGKW-HZPDHXFCSA-N 1 0 363.458 2.861 20 5 FFBDRO Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000283595696 256890198 /nfs/dbraw/zinc/89/01/98/256890198.db2.gz UBVOVZCRTLBUCC-HNNXBMFYSA-N 1 0 370.457 2.703 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H](c2ccsc2)[NH+](C)C)n1 ZINC000286134951 257021991 /nfs/dbraw/zinc/02/19/91/257021991.db2.gz NBSWOKJXLYHRHH-CYBMUJFWSA-N 1 0 350.400 2.553 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCCC[C@@H]1C[C@@H](C)O ZINC000286210681 257025873 /nfs/dbraw/zinc/02/58/73/257025873.db2.gz YHLMSFCRRCQTDN-ZIAGYGMSSA-N 1 0 365.430 2.557 20 5 FFBDRO C[C@@H](c1cccnc1)N1CCN(c2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000286645763 257047576 /nfs/dbraw/zinc/04/75/76/257047576.db2.gz CCMOZRQUNAPQGZ-LBPRGKRZSA-N 1 0 370.438 2.878 20 5 FFBDRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000286687389 257049767 /nfs/dbraw/zinc/04/97/67/257049767.db2.gz ZCTVIAJUIYOJAS-UHFFFAOYSA-N 1 0 360.414 2.851 20 5 FFBDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3CN2CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000286735016 257052189 /nfs/dbraw/zinc/05/21/89/257052189.db2.gz XWFPNENRNFDXHU-CPTIBSQESA-N 1 0 365.817 2.542 20 5 FFBDRO Cc1cc(C(=O)N(C)CCC[N@H+](C)Cc2ccco2)c(N)c([N+](=O)[O-])c1 ZINC000286840780 257057970 /nfs/dbraw/zinc/05/79/70/257057970.db2.gz YCUUFELXNURXIA-UHFFFAOYSA-N 1 0 360.414 2.673 20 5 FFBDRO CC(=O)c1cc([N+](=O)[O-])ccc1NCc1cccnc1N1CC[NH+](C)CC1 ZINC000288399364 257184301 /nfs/dbraw/zinc/18/43/01/257184301.db2.gz LBIWWLBVEBYQMJ-UHFFFAOYSA-N 1 0 369.425 2.556 20 5 FFBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000288816916 257229900 /nfs/dbraw/zinc/22/99/00/257229900.db2.gz USVUYPHZOFMHRS-UHFFFAOYSA-N 1 0 360.458 2.653 20 5 FFBDRO CC(C)(C(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2)c1ccc([N+](=O)[O-])cc1 ZINC000288886036 257235059 /nfs/dbraw/zinc/23/50/59/257235059.db2.gz ZZFRGYUUQRKVTM-NSHDSACASA-N 1 0 360.439 2.784 20 5 FFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]Cc1ncccc1N(C)C ZINC000289756476 257297217 /nfs/dbraw/zinc/29/72/17/257297217.db2.gz LIPXTRXUZHZUDI-CYBMUJFWSA-N 1 0 357.414 2.563 20 5 FFBDRO CS[C@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C[C@@H]1[NH+](C)C ZINC000289524488 257285717 /nfs/dbraw/zinc/28/57/17/257285717.db2.gz CNSHQFBXFIOYEU-RYUDHWBXSA-N 1 0 358.851 2.758 20 5 FFBDRO COc1ccc([C@H](CNc2ncc([N+](=O)[O-])c(N)n2)[NH+]2CCCCC2)cc1 ZINC000301095656 258024878 /nfs/dbraw/zinc/02/48/78/258024878.db2.gz NEHNZTRQMORHFK-HNNXBMFYSA-N 1 0 372.429 2.615 20 5 FFBDRO COCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000301329899 258042526 /nfs/dbraw/zinc/04/25/26/258042526.db2.gz AYXMDOMASJQVOT-UHFFFAOYSA-N 1 0 358.236 2.880 20 5 FFBDRO Cc1cc(NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)ncc1[N+](=O)[O-] ZINC000302044765 258084350 /nfs/dbraw/zinc/08/43/50/258084350.db2.gz JXNAEXQIZIBVGB-KRWDZBQOSA-N 1 0 356.426 2.867 20 5 FFBDRO C[C@H](CC[NH+]1CCN(C)CC1)Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000302305628 258098392 /nfs/dbraw/zinc/09/83/92/258098392.db2.gz ZKSABRDKGYKQPQ-GFCCVEGCSA-N 1 0 371.279 2.795 20 5 FFBDRO C[C@@H]1CN(c2ccc(Br)cc2[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC000302475680 258103274 /nfs/dbraw/zinc/10/32/74/258103274.db2.gz DWZLCFOKMJXQOB-LLVKDONJSA-N 1 0 372.263 2.639 20 5 FFBDRO CCc1cc(N2CC[NH+]3CCC2CC3)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000302789994 258110863 /nfs/dbraw/zinc/11/08/63/258110863.db2.gz XZCPFXADGDTGES-UHFFFAOYSA-N 1 0 353.426 2.899 20 5 FFBDRO CCc1cc(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000302853245 258112315 /nfs/dbraw/zinc/11/23/15/258112315.db2.gz JTJRZYDXCSYKIX-GASCZTMLSA-N 1 0 353.426 2.612 20 5 FFBDRO CCC[N@H+](C)C[C@H]1CCN(c2ncc([N+](=O)[O-])cc2Br)C1 ZINC000301535389 258054342 /nfs/dbraw/zinc/05/43/42/258054342.db2.gz MIILFYOEYCHGDO-LLVKDONJSA-N 1 0 357.252 2.920 20 5 FFBDRO CC(C)C[N@@H+]1CCO[C@H](CNc2ncc([N+](=O)[O-])cc2Br)C1 ZINC000301579607 258057203 /nfs/dbraw/zinc/05/72/03/258057203.db2.gz ZZLWLVBFGWIDQW-GFCCVEGCSA-N 1 0 373.251 2.521 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000301594782 258057517 /nfs/dbraw/zinc/05/75/17/258057517.db2.gz RQVRKYPHLUYFMR-MNOVXSKESA-N 1 0 366.374 2.574 20 5 FFBDRO Cc1ccc([C@@H](CNc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)[NH+](C)C)cc1 ZINC000301701755 258063529 /nfs/dbraw/zinc/06/35/29/258063529.db2.gz TUPMDKVYKCLRAM-QGZVFWFLSA-N 1 0 370.409 2.949 20 5 FFBDRO CNC(=O)c1ccc(N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000301835355 258070065 /nfs/dbraw/zinc/07/00/65/258070065.db2.gz LCRKVZYVRVKOEX-SJLPKXTDSA-N 1 0 354.410 2.812 20 5 FFBDRO C[N@H+](CCNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-])C1CCCCC1 ZINC000301895479 258073290 /nfs/dbraw/zinc/07/32/90/258073290.db2.gz PXUDJZJJTFNRDG-UHFFFAOYSA-N 1 0 355.460 2.675 20 5 FFBDRO O=[N+]([O-])c1cnc2ccc(NC[C@@H](c3cccs3)[NH+]3CCCC3)nn21 ZINC000301912293 258074574 /nfs/dbraw/zinc/07/45/74/258074574.db2.gz GXPWNCOSSYABSR-LBPRGKRZSA-N 1 0 358.427 2.948 20 5 FFBDRO Cc1cc(N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000301978690 258079301 /nfs/dbraw/zinc/07/93/01/258079301.db2.gz ABAQLNOCPRHKKJ-UGSOOPFHSA-N 1 0 356.426 2.608 20 5 FFBDRO Cc1ccc(C)c(S(=O)(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)c1[N+](=O)[O-] ZINC000331953708 258207476 /nfs/dbraw/zinc/20/74/76/258207476.db2.gz PFBGRGVZFMOKDM-CQSZACIVSA-N 1 0 367.471 2.507 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CN1C[C@@H](SC)[C@@H]([NH+]2CCCC2)C1 ZINC000332106510 258214350 /nfs/dbraw/zinc/21/43/50/258214350.db2.gz ZPIIKNJTODOBAS-DOTOQJQBSA-N 1 0 351.472 2.615 20 5 FFBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000332164848 258216960 /nfs/dbraw/zinc/21/69/60/258216960.db2.gz KNUAWITVWHKRTD-DGCLKSJQSA-N 1 0 369.368 2.895 20 5 FFBDRO CCOc1cc(C(=O)N2CCC[C@H]([NH+](C)C)CC2)c([N+](=O)[O-])cc1OC ZINC000332214680 258219291 /nfs/dbraw/zinc/21/92/91/258219291.db2.gz HZYHOJOZWJYHGV-ZDUSSCGKSA-N 1 0 365.430 2.558 20 5 FFBDRO Cc1c(CNC(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)cccc1[N+](=O)[O-] ZINC000332288639 258223437 /nfs/dbraw/zinc/22/34/37/258223437.db2.gz KTYVSOQUOUMRKF-QGZVFWFLSA-N 1 0 360.458 2.777 20 5 FFBDRO C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000332317605 258224972 /nfs/dbraw/zinc/22/49/72/258224972.db2.gz VFVXEAXMWFJIQL-GJZGRUSLSA-N 1 0 361.442 2.837 20 5 FFBDRO CC(C)[C@@H]1CN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC[N@@H+]1C ZINC000332394189 258228441 /nfs/dbraw/zinc/22/84/41/258228441.db2.gz NRSOPCFHQHFMMJ-IBGZPJMESA-N 1 0 374.485 2.610 20 5 FFBDRO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000332465404 258231370 /nfs/dbraw/zinc/23/13/70/258231370.db2.gz ISJOMPUJCRECGY-TZMCWYRMSA-N 1 0 366.849 2.745 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000332547191 258234836 /nfs/dbraw/zinc/23/48/36/258234836.db2.gz NNGJUNVARGBUOF-NVXWUHKLSA-N 1 0 362.430 2.653 20 5 FFBDRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000332659283 258239481 /nfs/dbraw/zinc/23/94/81/258239481.db2.gz WOYUNVWDZNIXGX-ZYHUDNBSSA-N 1 0 355.341 2.505 20 5 FFBDRO O=[N+]([O-])c1ccc(C[NH2+]CCCn2cc(Br)cn2)c(F)c1 ZINC000385639819 512886491 /nfs/dbraw/zinc/88/64/91/512886491.db2.gz VCHZMTWVDRBYOL-UHFFFAOYSA-N 1 0 357.183 2.873 20 5 FFBDRO CNc1ccc(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000032399673 506248057 /nfs/dbraw/zinc/24/80/57/506248057.db2.gz ZMIQESYAVXFVNE-UHFFFAOYSA-N 1 0 368.437 2.815 20 5 FFBDRO O=C1C[C@@H](c2ccccc2)[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCN1 ZINC000052836993 506259410 /nfs/dbraw/zinc/25/94/10/506259410.db2.gz NBUVUKUYEZADMQ-IBGZPJMESA-N 1 0 369.421 2.927 20 5 FFBDRO CCOc1ccc(C(=O)NCC[N@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000053348818 506359356 /nfs/dbraw/zinc/35/93/56/506359356.db2.gz YRZDUHQBUWEHFB-UHFFFAOYSA-N 1 0 357.410 2.855 20 5 FFBDRO C[N@H+](CCNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)Cc1ccccc1 ZINC000053349900 506361562 /nfs/dbraw/zinc/36/15/62/506361562.db2.gz UFIZBMKGQCDGMN-UHFFFAOYSA-N 1 0 352.394 2.938 20 5 FFBDRO COc1cc(C(=O)N2C[C@@H]([NH+](C)C)Cc3ccccc32)c([N+](=O)[O-])cc1F ZINC000410464963 512269323 /nfs/dbraw/zinc/26/93/23/512269323.db2.gz ITGQZBHJZHTZOL-ZDUSSCGKSA-N 1 0 373.384 2.876 20 5 FFBDRO Cc1ccc([C@H](CNC(=O)CNc2ccccc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000065901178 506388746 /nfs/dbraw/zinc/38/87/46/506388746.db2.gz SSBMREMSNICPMK-SFHVURJKSA-N 1 0 356.426 2.734 20 5 FFBDRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000065940342 506398935 /nfs/dbraw/zinc/39/89/35/506398935.db2.gz VZUXZPKWKBVZRA-UHFFFAOYSA-N 1 0 359.401 2.867 20 5 FFBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000066137815 506427861 /nfs/dbraw/zinc/42/78/61/506427861.db2.gz KXLOJDIQHVSFTE-OAHLLOKOSA-N 1 0 362.474 2.658 20 5 FFBDRO COc1ccc(CN2CCC[C@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000066377617 506500733 /nfs/dbraw/zinc/50/07/33/506500733.db2.gz LNBTWUQUIWXTQT-UXLLHSPISA-N 1 0 363.458 2.677 20 5 FFBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000054223610 506515378 /nfs/dbraw/zinc/51/53/78/506515378.db2.gz KFQDIVDRBRRBRL-WBVHZDCISA-N 1 0 369.421 2.925 20 5 FFBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000054539820 506574468 /nfs/dbraw/zinc/57/44/68/506574468.db2.gz UTBYQLATNDMCRH-KRWDZBQOSA-N 1 0 372.425 2.867 20 5 FFBDRO O=C(NCC1([NH+]2CCSCC2)CCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000054776298 506617573 /nfs/dbraw/zinc/61/75/73/506617573.db2.gz FBOYMMONPWQSQU-UHFFFAOYSA-N 1 0 367.446 2.825 20 5 FFBDRO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000371241510 512285345 /nfs/dbraw/zinc/28/53/45/512285345.db2.gz COUZDUGBXBAIMW-GDBMZVCRSA-N 1 0 358.442 2.773 20 5 FFBDRO COc1cc(C(=O)N(CC[NH+](C)C)C2CCCC2)c([N+](=O)[O-])cc1F ZINC000410559867 512292819 /nfs/dbraw/zinc/29/28/19/512292819.db2.gz SXSHLQHPGIWTKR-UHFFFAOYSA-N 1 0 353.394 2.689 20 5 FFBDRO O=C(CNc1ccccc1[N+](=O)[O-])N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000067288102 506819669 /nfs/dbraw/zinc/81/96/69/506819669.db2.gz QWTVGFFYZAEDOT-UHFFFAOYSA-N 1 0 368.437 2.741 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000056527679 507038525 /nfs/dbraw/zinc/03/85/25/507038525.db2.gz QSSITQWJDUTRPW-OAHLLOKOSA-N 1 0 372.425 2.898 20 5 FFBDRO COc1ccc(CC(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000067914230 507049770 /nfs/dbraw/zinc/04/97/70/507049770.db2.gz BDTQOUADHMQXGF-SFHVURJKSA-N 1 0 371.437 2.873 20 5 FFBDRO C[C@H](CNC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1)[NH+](C)C ZINC000068064321 507097641 /nfs/dbraw/zinc/09/76/41/507097641.db2.gz MXQLFATVYPIDJO-KGLIPLIRSA-N 1 0 371.441 2.843 20 5 FFBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CC[NH+](C2CCCC2)CC1 ZINC000068181675 507140021 /nfs/dbraw/zinc/14/00/21/507140021.db2.gz CQVUKCFNCFBRFJ-UHFFFAOYSA-N 1 0 356.426 2.636 20 5 FFBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000068265791 507166949 /nfs/dbraw/zinc/16/69/49/507166949.db2.gz FKDGRCLEWAVVKL-YPMHNXCESA-N 1 0 355.822 2.616 20 5 FFBDRO C[NH+](C)CCN(Cc1ccccc1)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000068311173 507181883 /nfs/dbraw/zinc/18/18/83/507181883.db2.gz CEADMKCDSPQUGY-UHFFFAOYSA-N 1 0 357.410 2.564 20 5 FFBDRO CCCc1n[nH]c(C(=O)NC[C@@H](c2ccc(CC)cc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000068311310 507182330 /nfs/dbraw/zinc/18/23/30/507182330.db2.gz UWWZAWZMEPIHAD-INIZCTEOSA-N 1 0 373.457 2.866 20 5 FFBDRO CC[NH+]1CCN(Cc2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)CC1 ZINC000046939382 507228131 /nfs/dbraw/zinc/22/81/31/507228131.db2.gz QDNOHBDXBLHKSA-UHFFFAOYSA-N 1 0 358.398 2.578 20 5 FFBDRO O=C(COc1ccc([N+](=O)[O-])cc1)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000023737888 507370157 /nfs/dbraw/zinc/37/01/57/507370157.db2.gz YDYCXGADGBTSCG-LJQANCHMSA-N 1 0 369.421 2.927 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)c1C ZINC000058178681 507380413 /nfs/dbraw/zinc/38/04/13/507380413.db2.gz UGOKHXACJLLPPF-GXTWGEPZSA-N 1 0 369.487 2.610 20 5 FFBDRO COc1ccc([C@@H](C)[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1F ZINC000024102450 507393181 /nfs/dbraw/zinc/39/31/81/507393181.db2.gz ZCPMAWFGMNPGIO-DOMZBBRYSA-N 1 0 364.373 2.833 20 5 FFBDRO NC(=O)c1ccc(C[NH+]2CCC([C@H](O)c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000026119982 507558553 /nfs/dbraw/zinc/55/85/53/507558553.db2.gz PIGFKSPDOFJBKQ-LJQANCHMSA-N 1 0 369.421 2.639 20 5 FFBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000026951153 507624353 /nfs/dbraw/zinc/62/43/53/507624353.db2.gz NYOFEZAMHYDPFU-UHFFFAOYSA-N 1 0 356.426 2.849 20 5 FFBDRO CC(C)C[NH+]1CCN([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000049970356 507645963 /nfs/dbraw/zinc/64/59/63/507645963.db2.gz MQAPSSSVWOXKLQ-CQSZACIVSA-N 1 0 359.430 2.979 20 5 FFBDRO C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000072035678 507738133 /nfs/dbraw/zinc/73/81/33/507738133.db2.gz QUHFQQCYLFWMGZ-UHFFFAOYSA-N 1 0 358.398 2.896 20 5 FFBDRO C[NH+](C)C1(CNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CCCCCC1 ZINC000029187300 507767484 /nfs/dbraw/zinc/76/74/84/507767484.db2.gz NFXSZBFOKOEATF-UHFFFAOYSA-N 1 0 359.430 2.898 20 5 FFBDRO CCC(CC)[C@@H](CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])[NH+](C)C ZINC000029873772 507794366 /nfs/dbraw/zinc/79/43/66/507794366.db2.gz BGRWNXAMFSLIBH-MRXNPFEDSA-N 1 0 357.476 2.777 20 5 FFBDRO C[C@@H]1c2ccccc2CCN1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000106862611 507824292 /nfs/dbraw/zinc/82/42/92/507824292.db2.gz ALTKBNXBCOBLIR-GFCCVEGCSA-N 1 0 369.377 2.881 20 5 FFBDRO O=C(NC1CC1)c1ccc(N2CCC[N@@H+](C3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000077994925 507825046 /nfs/dbraw/zinc/82/50/46/507825046.db2.gz BJFBTTOZBQVYRK-UHFFFAOYSA-N 1 0 372.469 2.942 20 5 FFBDRO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccc(-n2cncn2)cc1 ZINC000089580734 507847325 /nfs/dbraw/zinc/84/73/25/507847325.db2.gz SLNSLXVHVSTZDR-CQSZACIVSA-N 1 0 353.382 2.905 20 5 FFBDRO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000089580751 507847444 /nfs/dbraw/zinc/84/74/44/507847444.db2.gz YKYNNEIZMPVTLP-ZDUSSCGKSA-N 1 0 364.423 2.728 20 5 FFBDRO O=[N+]([O-])c1ccc(NC2CC[NH+]([C@@H]3CCOC3)CC2)cc1OC(F)F ZINC000089603549 507850558 /nfs/dbraw/zinc/85/05/58/507850558.db2.gz IEKPLSYIRMEHQQ-CYBMUJFWSA-N 1 0 357.357 2.861 20 5 FFBDRO CC[N@@H+]1CC[C@H](CNC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)C1 ZINC000107891829 507872683 /nfs/dbraw/zinc/87/26/83/507872683.db2.gz FENNZVACQLRNQU-MRXNPFEDSA-N 1 0 374.485 2.903 20 5 FFBDRO Cc1cc(NCC2([NH+](C)C)CCOCC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000072947686 507875374 /nfs/dbraw/zinc/87/53/74/507875374.db2.gz IHUHAHIQBZDGLD-UHFFFAOYSA-N 1 0 371.441 2.883 20 5 FFBDRO CS(=O)(=O)c1ccc(N[C@H]2CC[N@H+](CC3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000078526833 507879650 /nfs/dbraw/zinc/87/96/50/507879650.db2.gz ZCIWJAHQFPULLA-AWEZNQCLSA-N 1 0 367.471 2.675 20 5 FFBDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000072974869 507879690 /nfs/dbraw/zinc/87/96/90/507879690.db2.gz FQRADVQSLVZYJP-JKSUJKDBSA-N 1 0 374.485 2.780 20 5 FFBDRO O=c1[nH]cnc2cc(N[C@@H]3CC[N@H+](Cc4ccccc4)C3)c([N+](=O)[O-])cc21 ZINC000072991022 507881663 /nfs/dbraw/zinc/88/16/63/507881663.db2.gz KPIWAXMWUJLJCR-CQSZACIVSA-N 1 0 365.393 2.518 20 5 FFBDRO CCCO[C@H]1CCC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 ZINC000108392165 507892645 /nfs/dbraw/zinc/89/26/45/507892645.db2.gz XBPBLFLKKLIHLE-KRWDZBQOSA-N 1 0 361.442 2.765 20 5 FFBDRO Cc1cnc(Sc2nnc([C@H]3CCC[NH2+]C3)n2C2CC2)c([N+](=O)[O-])c1 ZINC000078664855 507894760 /nfs/dbraw/zinc/89/47/60/507894760.db2.gz HTEAQNVGCJLZKX-NSHDSACASA-N 1 0 360.443 2.843 20 5 FFBDRO CCC[C@@H]([NH2+][C@H]1CCN(c2cc(C)nn2C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000090121640 507910032 /nfs/dbraw/zinc/91/00/32/507910032.db2.gz WFTJEOFSUDQTFJ-SJORKVTESA-N 1 0 371.441 2.873 20 5 FFBDRO CC1CCC([N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@H]2CCCO2)CC1 ZINC000090550794 507926850 /nfs/dbraw/zinc/92/68/50/507926850.db2.gz CBEQGBUIOAFEMC-LEOMRAHMSA-N 1 0 363.458 2.816 20 5 FFBDRO CCCO[C@@H]1CCC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000109133293 507941779 /nfs/dbraw/zinc/94/17/79/507941779.db2.gz KBRIBVHRNLJJMP-QZTJIDSGSA-N 1 0 361.442 2.981 20 5 FFBDRO Cc1ccc(NCCCNC(=O)C2CC[NH+](C(C)C)CC2)c([N+](=O)[O-])c1 ZINC000073907735 507966073 /nfs/dbraw/zinc/96/60/73/507966073.db2.gz KMWSAFNHUGNRLW-UHFFFAOYSA-N 1 0 362.474 2.942 20 5 FFBDRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000079578275 507978284 /nfs/dbraw/zinc/97/82/84/507978284.db2.gz HGYNXSJUIYXFFZ-QWHCGFSZSA-N 1 0 357.332 2.970 20 5 FFBDRO CN(CC(=O)Nc1ccc(OCC[NH+](C)C)cc1)c1ccccc1[N+](=O)[O-] ZINC000079629471 507984738 /nfs/dbraw/zinc/98/47/38/507984738.db2.gz QBHFVJSAELWOIU-UHFFFAOYSA-N 1 0 372.425 2.610 20 5 FFBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000091788089 508012153 /nfs/dbraw/zinc/01/21/53/508012153.db2.gz GLPKHDREWJUJPD-UHFFFAOYSA-N 1 0 371.441 2.767 20 5 FFBDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNc2ncc([N+](=O)[O-])c(N)n2)cc1 ZINC000079906328 508013591 /nfs/dbraw/zinc/01/35/91/508013591.db2.gz KCRVHNFUPBXALY-ZDUSSCGKSA-N 1 0 356.430 2.954 20 5 FFBDRO CCOc1ccnc(N2CCC[N@H+](Cc3ccc(C)c([N+](=O)[O-])c3)CC2)n1 ZINC000091959436 508027681 /nfs/dbraw/zinc/02/76/81/508027681.db2.gz VVKKMNBILBMRKE-UHFFFAOYSA-N 1 0 371.441 2.804 20 5 FFBDRO Cn1ccnc1[C@H](O)[C@H]1CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000092010482 508032668 /nfs/dbraw/zinc/03/26/68/508032668.db2.gz VJLOMMCOTSJHGU-VCUNKILJSA-N 1 0 356.426 2.787 20 5 FFBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000074857982 508063232 /nfs/dbraw/zinc/06/32/32/508063232.db2.gz BNQACBUWZBRGPH-KRWDZBQOSA-N 1 0 360.458 2.511 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCCCCC[NH+]2CCCCC2)s1 ZINC000111357454 508093198 /nfs/dbraw/zinc/09/31/98/508093198.db2.gz CNGJNCLEFZGCFM-UHFFFAOYSA-N 1 0 361.489 2.591 20 5 FFBDRO C[C@@H]1CC(C)(C)C[C@@](CO)([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000080903692 508110228 /nfs/dbraw/zinc/11/02/28/508110228.db2.gz RORFEXCWLLDPLT-ALKREAHSSA-N 1 0 366.458 2.501 20 5 FFBDRO C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1CCCN(c2ccccc2)C1 ZINC000081013779 508125934 /nfs/dbraw/zinc/12/59/34/508125934.db2.gz VYZLPBGFWZEOQV-GOSISDBHSA-N 1 0 368.437 2.795 20 5 FFBDRO COc1cc(C(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000081124421 508140379 /nfs/dbraw/zinc/14/03/79/508140379.db2.gz PTBCXXATMIGGGL-QGZVFWFLSA-N 1 0 369.421 2.950 20 5 FFBDRO COCCOc1ccccc1C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000093534666 508148094 /nfs/dbraw/zinc/14/80/94/508148094.db2.gz CUCRCMAWBAJGSE-MRXNPFEDSA-N 1 0 372.425 2.701 20 5 FFBDRO COCCOc1ccc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000093534753 508148190 /nfs/dbraw/zinc/14/81/90/508148190.db2.gz FZNIMZPMBDYRPZ-INIZCTEOSA-N 1 0 372.425 2.701 20 5 FFBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000081363233 508167828 /nfs/dbraw/zinc/16/78/28/508167828.db2.gz HIVYMPBUQMCNGA-HNNXBMFYSA-N 1 0 358.442 2.740 20 5 FFBDRO CCC[N@H+](C)C[C@@H]1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000081572982 508191713 /nfs/dbraw/zinc/19/17/13/508191713.db2.gz TVKWZTJFTUNZDY-AWEZNQCLSA-N 1 0 359.430 2.809 20 5 FFBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@@H](c3nnc4ccccn43)C2)cc1 ZINC000076396445 508200198 /nfs/dbraw/zinc/20/01/98/508200198.db2.gz RPEXUYOQGQIRRT-OAHLLOKOSA-N 1 0 367.409 2.896 20 5 FFBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[NH+](CC2CC2)CC1 ZINC000077196040 508285658 /nfs/dbraw/zinc/28/56/58/508285658.db2.gz LJORIWCZEDHIPL-LBPRGKRZSA-N 1 0 366.849 2.603 20 5 FFBDRO COc1ccccc1C(C)(C)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000103484104 508314895 /nfs/dbraw/zinc/31/48/95/508314895.db2.gz VLVHQBSNAFSPMK-HNNXBMFYSA-N 1 0 360.410 2.868 20 5 FFBDRO CSC[C@H](CCO)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000077462013 508319761 /nfs/dbraw/zinc/31/97/61/508319761.db2.gz WJWTURZUSDFLAW-LBPRGKRZSA-N 1 0 353.469 2.922 20 5 FFBDRO C[C@@H](CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000087103057 508336677 /nfs/dbraw/zinc/33/66/77/508336677.db2.gz UTXNTDQZZXHQOK-CABCVRRESA-N 1 0 360.458 2.783 20 5 FFBDRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000087159787 508340140 /nfs/dbraw/zinc/34/01/40/508340140.db2.gz DLFWNDBEQPSAFN-GOSISDBHSA-N 1 0 355.438 2.817 20 5 FFBDRO O=C(C[NH2+]C1(c2ccccc2)CCC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000104664878 508340431 /nfs/dbraw/zinc/34/04/31/508340431.db2.gz RJDVTLBLZHENDT-UHFFFAOYSA-N 1 0 369.377 2.931 20 5 FFBDRO CCOC(=O)c1ccnc(NC[C@H](Cc2ccccc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000077903637 508390264 /nfs/dbraw/zinc/39/02/64/508390264.db2.gz OLCVDHLVWBKVBJ-HNNXBMFYSA-N 1 0 372.425 2.751 20 5 FFBDRO Cc1nn(C)c(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1Br ZINC000089232097 508393420 /nfs/dbraw/zinc/39/34/20/508393420.db2.gz CIGKJBKIYAIOKF-UHFFFAOYSA-N 1 0 353.220 2.732 20 5 FFBDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C1 ZINC000156413564 508417100 /nfs/dbraw/zinc/41/71/00/508417100.db2.gz YFKZRPKJNWPDDT-HUUCEWRRSA-N 1 0 360.458 2.785 20 5 FFBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000156436881 508421332 /nfs/dbraw/zinc/42/13/32/508421332.db2.gz SOPPHIDUCBEFKI-CQSZACIVSA-N 1 0 356.426 2.947 20 5 FFBDRO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000156510000 508431424 /nfs/dbraw/zinc/43/14/24/508431424.db2.gz UOCVQWFOTFSKBY-IBGZPJMESA-N 1 0 353.422 2.652 20 5 FFBDRO CC(=O)N1CC[C@@H](C[N@H+](C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000156643718 508455877 /nfs/dbraw/zinc/45/58/77/508455877.db2.gz FDTWIAJFEGFHTN-HNNXBMFYSA-N 1 0 372.425 2.593 20 5 FFBDRO CC(C)(C)OC(=O)[C@H]1CCCN(CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000156650443 508456584 /nfs/dbraw/zinc/45/65/84/508456584.db2.gz JHJGNMNNQIXWOL-ZDUSSCGKSA-N 1 0 363.414 2.587 20 5 FFBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000377685553 512397189 /nfs/dbraw/zinc/39/71/89/512397189.db2.gz ZOKJXSSEJLTZQA-UKRRQHHQSA-N 1 0 367.812 2.656 20 5 FFBDRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000121986726 508462974 /nfs/dbraw/zinc/46/29/74/508462974.db2.gz LTWLQJWJMRRYPK-AAEUAGOBSA-N 1 0 355.822 2.745 20 5 FFBDRO Cc1c(CC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cccc1[N+](=O)[O-] ZINC000134078749 508489805 /nfs/dbraw/zinc/48/98/05/508489805.db2.gz XWBPAHZHUKUXKQ-QFBILLFUSA-N 1 0 357.454 2.921 20 5 FFBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC[NH+]1CCCC1 ZINC000134081226 508490448 /nfs/dbraw/zinc/49/04/48/508490448.db2.gz BQLXGYCSHKMDOZ-UHFFFAOYSA-N 1 0 367.471 2.501 20 5 FFBDRO Cc1ccc(S(=O)(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)c([N+](=O)[O-])c1 ZINC000116372453 508504328 /nfs/dbraw/zinc/50/43/28/508504328.db2.gz RZRJXIORRQZOJI-OAHLLOKOSA-N 1 0 357.476 2.548 20 5 FFBDRO CC(C)[C@@H](C)NC(=O)C1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000116379861 508505840 /nfs/dbraw/zinc/50/58/40/508505840.db2.gz ZRLMZSMHGHOZJC-OAHLLOKOSA-N 1 0 363.458 2.846 20 5 FFBDRO CC(C)[C@H](C)NC(=O)C1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000134207977 508507993 /nfs/dbraw/zinc/50/79/93/508507993.db2.gz RMRKRFATMYEEEB-HNNXBMFYSA-N 1 0 363.458 2.846 20 5 FFBDRO CC[NH+](CC)[C@H](C)CNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000122405893 508529601 /nfs/dbraw/zinc/52/96/01/508529601.db2.gz PTTYPELRYOYHCU-SNVBAGLBSA-N 1 0 358.236 2.817 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@]3(CCO)CCOC3)cs2)c1 ZINC000134421644 508531122 /nfs/dbraw/zinc/53/11/22/508531122.db2.gz MFCLJAHMQOKWJC-KRWDZBQOSA-N 1 0 363.439 2.597 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)Cn1cc(Br)cn1 ZINC000122423167 508532829 /nfs/dbraw/zinc/53/28/29/508532829.db2.gz PUBBDUFDMDJQQM-JTQLQIEISA-N 1 0 369.219 2.741 20 5 FFBDRO CC[C@H](O)CN(CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000134478457 508538181 /nfs/dbraw/zinc/53/81/81/508538181.db2.gz OVNRFRIZEVVWSM-INIZCTEOSA-N 1 0 357.410 2.806 20 5 FFBDRO C[C@H]1CCC[C@@](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)([NH+](C)C)C1 ZINC000116749254 508554173 /nfs/dbraw/zinc/55/41/73/508554173.db2.gz CLALIIYJXDKSON-APPDUMDISA-N 1 0 352.410 2.556 20 5 FFBDRO Cc1cc(C(=O)N(CC[NH+](C)C)Cc2cccc(O)c2)cc([N+](=O)[O-])c1 ZINC000153294714 508568937 /nfs/dbraw/zinc/56/89/37/508568937.db2.gz HOJWJYRYQMAECD-UHFFFAOYSA-N 1 0 357.410 2.813 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000122878871 508600523 /nfs/dbraw/zinc/60/05/23/508600523.db2.gz XINAEZYEPFDEAO-UHFFFAOYSA-N 1 0 357.410 2.774 20 5 FFBDRO C[NH+]1CCC(N(Cc2ccco2)C(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000122879999 508601242 /nfs/dbraw/zinc/60/12/42/508601242.db2.gz UGKXWMBOBJVEKU-UHFFFAOYSA-N 1 0 373.409 2.690 20 5 FFBDRO C[C@@H](Cn1cc(Br)cn1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000123227105 508655277 /nfs/dbraw/zinc/65/52/77/508655277.db2.gz NINFPPDAJVTUOV-NSHDSACASA-N 1 0 353.220 2.775 20 5 FFBDRO O=C(CC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)Nc1ccccc1F ZINC000118866184 508688512 /nfs/dbraw/zinc/68/85/12/508688512.db2.gz SFMJZUSUQMMZDR-CYBMUJFWSA-N 1 0 373.388 2.644 20 5 FFBDRO C[C@@H]1C[NH+](CCCCNC(=O)c2cccc(Cl)c2[N+](=O)[O-])C[C@@H](C)O1 ZINC000123627361 508716869 /nfs/dbraw/zinc/71/68/69/508716869.db2.gz XKUMXXYQHVMOEH-CHWSQXEVSA-N 1 0 369.849 2.867 20 5 FFBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3C[C@@H](C)[NH2+][C@@H](C)C3)cc2[N+](=O)[O-])C1 ZINC000154152001 508726486 /nfs/dbraw/zinc/72/64/86/508726486.db2.gz ISYPGOBNPMVVTG-GEEKYZPCSA-N 1 0 374.485 2.900 20 5 FFBDRO C[C@H](CNC(=O)NCCc1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1ccccc1 ZINC000119221120 508751431 /nfs/dbraw/zinc/75/14/31/508751431.db2.gz YXMVTFZVOQHWMA-MRXNPFEDSA-N 1 0 370.453 2.957 20 5 FFBDRO CCCC[NH+]1CCC(NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)CC1 ZINC000119316072 508771232 /nfs/dbraw/zinc/77/12/32/508771232.db2.gz AGZHVEWGSMDPPF-UHFFFAOYSA-N 1 0 360.458 2.927 20 5 FFBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000119322095 508772729 /nfs/dbraw/zinc/77/27/29/508772729.db2.gz FAYXXJOOILRJHJ-ZDUSSCGKSA-N 1 0 353.850 2.885 20 5 FFBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000119372559 508782892 /nfs/dbraw/zinc/78/28/92/508782892.db2.gz UXUJMHVITOZJOA-BBRMVZONSA-N 1 0 355.398 2.632 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CC[C@@H](Cc3ccccc3)C2)c1 ZINC000124168964 508792530 /nfs/dbraw/zinc/79/25/30/508792530.db2.gz JAWPXYWBNHCTRJ-HKUYNNGSSA-N 1 0 356.422 2.899 20 5 FFBDRO Cc1ccc(NCCCNC(=O)N(CC[NH+](C)C)C(C)C)c([N+](=O)[O-])c1 ZINC000159100089 508792624 /nfs/dbraw/zinc/79/26/24/508792624.db2.gz VISQLBWVUYLEHY-UHFFFAOYSA-N 1 0 365.478 2.687 20 5 FFBDRO C[N@@H+]1CCC[C@H]2CN(Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)CC[C@@H]21 ZINC000140052961 508799225 /nfs/dbraw/zinc/79/92/25/508799225.db2.gz AQULGWWXIFFQHG-HOCLYGCPSA-N 1 0 357.414 2.561 20 5 FFBDRO CCN1CCc2nc(NC(=O)c3cc(F)ccc3[N+](=O)[O-])sc2C1 ZINC000159253666 508814900 /nfs/dbraw/zinc/81/49/00/508814900.db2.gz CEIYDLZBUOJXOK-UHFFFAOYSA-N 1 0 350.375 2.821 20 5 FFBDRO O=C1[C@@H](N2CC[NH+](C3CCCCC3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000141807059 508818572 /nfs/dbraw/zinc/81/85/72/508818572.db2.gz ORBQQGXYTDFJEG-IBGZPJMESA-N 1 0 372.469 2.650 20 5 FFBDRO CC[N@H+](C)Cc1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2OC)c1 ZINC000141837699 508819589 /nfs/dbraw/zinc/81/95/89/508819589.db2.gz SRXBVWYEZADWEK-UHFFFAOYSA-N 1 0 357.410 2.985 20 5 FFBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@H](C[NH3+])C2CC2)cc1 ZINC000159315626 508823416 /nfs/dbraw/zinc/82/34/16/508823416.db2.gz GOFTUQFUEBXWPL-QGZVFWFLSA-N 1 0 371.393 2.863 20 5 FFBDRO CC[NH+](CC)[C@@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)c1ccccc1 ZINC000124623151 508860566 /nfs/dbraw/zinc/86/05/66/508860566.db2.gz NHNPDYWOFWTBOE-INIZCTEOSA-N 1 0 357.414 2.584 20 5 FFBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccc(C(F)(F)F)cc1 ZINC000159702535 508877174 /nfs/dbraw/zinc/87/71/74/508877174.db2.gz YDRCSLDVLBGVQB-UHFFFAOYSA-N 1 0 355.316 2.907 20 5 FFBDRO O=C(NCc1ccco1)[C@@H]1CCC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000124743811 508878431 /nfs/dbraw/zinc/87/84/31/508878431.db2.gz IPJXFCZZWDINLW-SFHVURJKSA-N 1 0 373.409 2.738 20 5 FFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(CNC(=O)c2cnn(C)c2)CC1 ZINC000154913824 508881447 /nfs/dbraw/zinc/88/14/47/508881447.db2.gz RGBNEXNVGNYFBG-CQSZACIVSA-N 1 0 371.441 2.531 20 5 FFBDRO C[C@@H](Nc1ccc(C(=O)N2CC[NH2+][C@@H](C)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000155013637 508904179 /nfs/dbraw/zinc/90/41/79/508904179.db2.gz HREWBKCBVJXVPM-UONOGXRCSA-N 1 0 369.425 2.597 20 5 FFBDRO COc1cc(C[NH2+]C[C@H]2CCCO2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000131304473 508912997 /nfs/dbraw/zinc/91/29/97/508912997.db2.gz BABAJEQLTBLNGX-LLVKDONJSA-N 1 0 364.320 2.813 20 5 FFBDRO CC(C)[C@H](C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)N1CCOCC1 ZINC000120035706 508914807 /nfs/dbraw/zinc/91/48/07/508914807.db2.gz MEBMUMBCCWVQBF-ICSRJNTNSA-N 1 0 361.486 2.862 20 5 FFBDRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000120058803 508918765 /nfs/dbraw/zinc/91/87/65/508918765.db2.gz ZTBSXGKZNGLNPN-ROUUACIJSA-N 1 0 360.502 2.628 20 5 FFBDRO Cc1c(Br)cc(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000125224804 508951164 /nfs/dbraw/zinc/95/11/64/508951164.db2.gz AHNNDDWCSFRIRY-LBPRGKRZSA-N 1 0 370.247 2.832 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000125268050 508957492 /nfs/dbraw/zinc/95/74/92/508957492.db2.gz FQQNMTQZCLXKLU-UHFFFAOYSA-N 1 0 357.410 2.774 20 5 FFBDRO CC(C)OCC[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000155253949 508959216 /nfs/dbraw/zinc/95/92/16/508959216.db2.gz MTYYEJZGGIAANG-UHFFFAOYSA-N 1 0 369.849 2.867 20 5 FFBDRO Cc1ccc([C@H](C)[NH2+]Cc2cccnc2N2CCOCC2)cc1[N+](=O)[O-] ZINC000151243233 508985021 /nfs/dbraw/zinc/98/50/21/508985021.db2.gz VKLIAEJREPCLFQ-HNNXBMFYSA-N 1 0 356.426 2.986 20 5 FFBDRO CN1CCC([N@H+](CCO)Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000155507626 509016423 /nfs/dbraw/zinc/01/64/23/509016423.db2.gz ATCOYIIZAKEAHQ-UHFFFAOYSA-N 1 0 359.426 2.743 20 5 FFBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000120553607 509019836 /nfs/dbraw/zinc/01/98/36/509019836.db2.gz MJCWFUBNDAPVLF-LBPRGKRZSA-N 1 0 356.220 2.524 20 5 FFBDRO C[NH2+][C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccc(OC)cc2)C1 ZINC000160796487 509034000 /nfs/dbraw/zinc/03/40/00/509034000.db2.gz HVDBMQRKIOTPNS-CYBMUJFWSA-N 1 0 371.393 2.830 20 5 FFBDRO [NH3+][C@H]1CCC[C@@H](NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000160895524 509045132 /nfs/dbraw/zinc/04/51/32/509045132.db2.gz SOCYMTIFSJHWRT-NWDGAFQWSA-N 1 0 374.363 2.802 20 5 FFBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@H](O)c3cccc(Cl)c3)CC2)n1 ZINC000369493032 512435501 /nfs/dbraw/zinc/43/55/01/512435501.db2.gz JMBYNWMTSCTGGZ-HNNXBMFYSA-N 1 0 350.806 2.815 20 5 FFBDRO C[N@H+](CCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1)C1CCCC1 ZINC000120846079 509074944 /nfs/dbraw/zinc/07/49/44/509074944.db2.gz WJTOFEIKACWPML-UHFFFAOYSA-N 1 0 370.247 2.962 20 5 FFBDRO O=[N+]([O-])c1cnc(NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c(Cl)c1 ZINC000132967640 509098418 /nfs/dbraw/zinc/09/84/18/509098418.db2.gz WKVNKGLMXCMSCW-LSDHHAIUSA-N 1 0 354.838 2.823 20 5 FFBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000121063419 509120299 /nfs/dbraw/zinc/12/02/99/509120299.db2.gz HLKBCJFEBOYTGU-YGRLFVJLSA-N 1 0 370.247 2.770 20 5 FFBDRO COc1cc(CN2CC[C@H](C[NH+](C)C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000156309009 509157681 /nfs/dbraw/zinc/15/76/81/509157681.db2.gz PRBAWDLGHYZKAM-GFCCVEGCSA-N 1 0 373.400 2.631 20 5 FFBDRO C[C@@H]1CCC[N@H+](CCNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000162089255 509172009 /nfs/dbraw/zinc/17/20/09/509172009.db2.gz JWQKALRMUKWUPG-LLVKDONJSA-N 1 0 370.247 2.819 20 5 FFBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000266773668 509186736 /nfs/dbraw/zinc/18/67/36/509186736.db2.gz XWOBZLIRZYKKOG-JKSUJKDBSA-N 1 0 360.458 2.730 20 5 FFBDRO CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000162385090 509213649 /nfs/dbraw/zinc/21/36/49/509213649.db2.gz NDNFWGFRLLAYQQ-GFCCVEGCSA-N 1 0 356.220 2.571 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCNS(=O)(=O)c1ccccc1 ZINC000162477562 509232145 /nfs/dbraw/zinc/23/21/45/509232145.db2.gz BBRHGZMFIWKSAH-AWEZNQCLSA-N 1 0 363.439 2.532 20 5 FFBDRO COc1ccc(NC(=O)C[NH2+][C@@H](C)[C@H]2COc3ccccc32)c([N+](=O)[O-])c1 ZINC000185550174 509232902 /nfs/dbraw/zinc/23/29/02/509232902.db2.gz GNKOUZROTUGCLZ-SWLSCSKDSA-N 1 0 371.393 2.696 20 5 FFBDRO CCOC(=O)c1ccnc(N2CCC(CCC[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000162748336 509292433 /nfs/dbraw/zinc/29/24/33/509292433.db2.gz YBCZLUDMSDERTP-UHFFFAOYSA-N 1 0 364.446 2.725 20 5 FFBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000192021927 509302556 /nfs/dbraw/zinc/30/25/56/509302556.db2.gz WSHBVFHPSTZQQF-RDJZCZTQSA-N 1 0 363.801 2.530 20 5 FFBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000179216987 509324174 /nfs/dbraw/zinc/32/41/74/509324174.db2.gz PLQNSQWMNSTCDG-INIZCTEOSA-N 1 0 356.426 2.705 20 5 FFBDRO CCS[C@@H]1CC[C@@H]([N@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248461064 509333181 /nfs/dbraw/zinc/33/31/81/509333181.db2.gz OUSDZZUUMCWSGQ-RBSFLKMASA-N 1 0 354.472 2.941 20 5 FFBDRO Cc1cccc([C@H]2CCC[N@@H+]2C[C@@H](O)COc2ccccc2[N+](=O)[O-])n1 ZINC000248472218 509337013 /nfs/dbraw/zinc/33/70/13/509337013.db2.gz WAMOLBFHFJLFSY-NVXWUHKLSA-N 1 0 357.410 2.875 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000248473137 509337102 /nfs/dbraw/zinc/33/71/02/509337102.db2.gz WRDMEHURAVYZBO-UKPHBRMFSA-N 1 0 352.456 2.695 20 5 FFBDRO CC(C)[NH+]1CCC(NC(=O)c2cccc([N+](=O)[O-])c2Br)CC1 ZINC000182657625 509353816 /nfs/dbraw/zinc/35/38/16/509353816.db2.gz NICCJYVMAYPSOG-UHFFFAOYSA-N 1 0 370.247 2.960 20 5 FFBDRO C[C@@H](NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)C(C)(C)C[NH+](C)C ZINC000173044050 509364766 /nfs/dbraw/zinc/36/47/66/509364766.db2.gz VZSNZKXAQWECMZ-CQSZACIVSA-N 1 0 350.463 2.879 20 5 FFBDRO COCCCNC(=O)C1CC[NH+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000182683232 509370284 /nfs/dbraw/zinc/37/02/84/509370284.db2.gz TXJMFPPITQKRQR-OAHLLOKOSA-N 1 0 363.458 2.829 20 5 FFBDRO C[S@](=O)c1ccc(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)cc1 ZINC000173092515 509386920 /nfs/dbraw/zinc/38/69/20/509386920.db2.gz JZIYULNKIYFZDH-SANMLTNESA-N 1 0 370.390 2.770 20 5 FFBDRO CC[C@H]1CN(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)CC[N@@H+]1C[C@H](C)O ZINC000248637092 509406330 /nfs/dbraw/zinc/40/63/30/509406330.db2.gz KWSVXHNLLKJAKJ-GJZGRUSLSA-N 1 0 364.446 2.521 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N3C[C@@H]4CC[C@@H]([NH3+])[C@H]4C3)cc2[N+](=O)[O-])CC1 ZINC000248645002 509412870 /nfs/dbraw/zinc/41/28/70/509412870.db2.gz SCYHIVGFURWIOW-YESZJQIVSA-N 1 0 372.469 2.640 20 5 FFBDRO O=C(Cc1ccccc1[N+](=O)[O-])NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000264281392 509432347 /nfs/dbraw/zinc/43/23/47/509432347.db2.gz IHQJSKYTKCQPNL-GOSISDBHSA-N 1 0 367.449 2.818 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N3C[C@@H](C)[NH2+]C[C@H]3C)cc2[N+](=O)[O-])CC1 ZINC000236669377 509476781 /nfs/dbraw/zinc/47/67/81/509476781.db2.gz ROLGAUVIALQCFH-HUUCEWRRSA-N 1 0 360.458 2.654 20 5 FFBDRO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000186022196 509484500 /nfs/dbraw/zinc/48/45/00/509484500.db2.gz YVWNJXHRFSWXRH-INIZCTEOSA-N 1 0 367.833 2.508 20 5 FFBDRO O=C(NC1CC[NH+](C2CC2)CC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000267476705 509506755 /nfs/dbraw/zinc/50/67/55/509506755.db2.gz GQJBTJWSLUMKSW-UHFFFAOYSA-N 1 0 368.231 2.714 20 5 FFBDRO CC(C)[C@@](C)(C[NH3+])NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000236819749 509509915 /nfs/dbraw/zinc/50/99/15/509509915.db2.gz OTENJXYCLWIKHH-OAQYLSRUSA-N 1 0 351.450 2.644 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)[NH2+]Cc2ccc(Cl)cc2F)cc1 ZINC000189344278 509530089 /nfs/dbraw/zinc/53/00/89/509530089.db2.gz OQIJLXZQXGLOFE-HZPDHXFCSA-N 1 0 354.765 2.571 20 5 FFBDRO [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000165538541 509575338 /nfs/dbraw/zinc/57/53/38/509575338.db2.gz POSDZTULTKQWIZ-ZWKOTPCHSA-N 1 0 360.458 2.541 20 5 FFBDRO CCc1n[nH]c(C(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000192670304 509591427 /nfs/dbraw/zinc/59/14/27/509591427.db2.gz RBGRPZMLHRVXEL-OAHLLOKOSA-N 1 0 371.441 2.617 20 5 FFBDRO Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1NC(=O)CC[NH+](C)C ZINC000186273094 509617119 /nfs/dbraw/zinc/61/71/19/509617119.db2.gz VMFUONYQCIJQQG-UHFFFAOYSA-N 1 0 360.370 2.639 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000237478029 509658055 /nfs/dbraw/zinc/65/80/55/509658055.db2.gz AFOOISBAHFWZLD-NEPJUHHUSA-N 1 0 355.822 2.521 20 5 FFBDRO CCc1n[nH]c(C(=O)N(CC)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000192898112 509689905 /nfs/dbraw/zinc/68/99/05/509689905.db2.gz WMXZOFLXGNHBIV-HNNXBMFYSA-N 1 0 371.441 2.617 20 5 FFBDRO Cc1c([C@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cnn1C ZINC000183308710 509709228 /nfs/dbraw/zinc/70/92/28/509709228.db2.gz VIKGCTYCRFFYAA-VIFPVBQESA-N 1 0 351.794 2.579 20 5 FFBDRO COc1ccc(CN2CCC[C@@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000249817385 509768510 /nfs/dbraw/zinc/76/85/10/509768510.db2.gz LNBTWUQUIWXTQT-HLLBOEOZSA-N 1 0 363.458 2.677 20 5 FFBDRO CC(C)[C@H](C(=O)N(C)Cc1ccccc1[N+](=O)[O-])N1C[C@@H](C)O[C@@H](C)C1 ZINC000249811694 509768723 /nfs/dbraw/zinc/76/87/23/509768723.db2.gz IGWGVXRPYUPZED-RVKKMQEKSA-N 1 0 363.458 2.687 20 5 FFBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000249890992 509779333 /nfs/dbraw/zinc/77/93/33/509779333.db2.gz SXJYBPSSZTUDMD-XHSDSOJGSA-N 1 0 363.458 2.846 20 5 FFBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000268183527 509801690 /nfs/dbraw/zinc/80/16/90/509801690.db2.gz LXOGJEQWMGNUEF-TVQRCGJNSA-N 1 0 357.332 2.826 20 5 FFBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H](C[NH+](CC)CC)C1 ZINC000173918641 509853727 /nfs/dbraw/zinc/85/37/27/509853727.db2.gz BIXAWNOXJMDDLH-CQSZACIVSA-N 1 0 369.487 2.510 20 5 FFBDRO CCOC(=O)C[C@@](C)([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C)C(C)C ZINC000186720655 509871730 /nfs/dbraw/zinc/87/17/30/509871730.db2.gz CZDUHBJAKBUMNL-GOSISDBHSA-N 1 0 365.430 2.799 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173953347 509873942 /nfs/dbraw/zinc/87/39/42/509873942.db2.gz KHMLPTSUWJAXDM-UHFFFAOYSA-N 1 0 363.458 2.680 20 5 FFBDRO C[C@@H]1C[C@H](NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C[N@@H+]1C1CC1 ZINC000177154064 509905253 /nfs/dbraw/zinc/90/52/53/509905253.db2.gz OPHPKQDLLZYTGE-ZBFHGGJFSA-N 1 0 372.469 2.553 20 5 FFBDRO C[C@H]([NH2+]CC(=O)NCCCN(C)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180400888 509906155 /nfs/dbraw/zinc/90/61/55/509906155.db2.gz WMNZIGPBCKUFAH-INIZCTEOSA-N 1 0 370.453 2.888 20 5 FFBDRO C[C@H]([NH2+]CC(=O)Nc1cccc(C(=O)N(C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000180417960 509916237 /nfs/dbraw/zinc/91/62/37/509916237.db2.gz UIOGYMQYFOKTFB-ZDUSSCGKSA-N 1 0 370.409 2.586 20 5 FFBDRO Cc1cnc(C(C)(C)[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)s1 ZINC000183915044 510037564 /nfs/dbraw/zinc/03/75/64/510037564.db2.gz NOEBSUIDPJUJMZ-ZDUSSCGKSA-N 1 0 351.428 2.624 20 5 FFBDRO C[NH2+][C@@H](C)Cc1noc(CSCc2ccc(OC)c([N+](=O)[O-])c2)n1 ZINC000261755054 510051713 /nfs/dbraw/zinc/05/17/13/510051713.db2.gz MBNBKTXXICUDKB-JTQLQIEISA-N 1 0 352.416 2.570 20 5 FFBDRO [NH3+][C@H]1CCc2nc(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])sc2C1 ZINC000261827899 510078822 /nfs/dbraw/zinc/07/88/22/510078822.db2.gz HUOLVDUTRPPNML-QMMMGPOBSA-N 1 0 352.803 2.773 20 5 FFBDRO C[N@H+](CCOc1ccc(C(F)(F)F)cc1)CCn1ccc([N+](=O)[O-])n1 ZINC000190367736 510090148 /nfs/dbraw/zinc/09/01/48/510090148.db2.gz JLCNDMHHTNXJAR-UHFFFAOYSA-N 1 0 358.320 2.821 20 5 FFBDRO COc1cc(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000193838464 510092992 /nfs/dbraw/zinc/09/29/92/510092992.db2.gz RPPFLBICQGLOPY-INIZCTEOSA-N 1 0 369.421 2.855 20 5 FFBDRO C[NH2+][C@H](C)Cc1noc(-c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])n1 ZINC000261889386 510102408 /nfs/dbraw/zinc/10/24/08/510102408.db2.gz XFHOUBSSUDZCQD-MRVPVSSYSA-N 1 0 360.292 2.736 20 5 FFBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)C[NH+]1CCCC1 ZINC000180778805 510103431 /nfs/dbraw/zinc/10/34/31/510103431.db2.gz YFDFFQRDECEKMB-NSHDSACASA-N 1 0 357.357 2.658 20 5 FFBDRO C[C@H](NC(=O)COc1cccc([N+](=O)[O-])c1)[C@H](c1ccccc1)[NH+](C)C ZINC000187182998 510107366 /nfs/dbraw/zinc/10/73/66/510107366.db2.gz ADTOCUKTFXGDMN-IFXJQAMLSA-N 1 0 357.410 2.781 20 5 FFBDRO CN1CCC([NH+]2CCC(Nc3ncc([N+](=O)[O-])cc3Cl)CC2)CC1 ZINC000265562860 510117663 /nfs/dbraw/zinc/11/76/63/510117663.db2.gz SREBEHRGSVRCDE-UHFFFAOYSA-N 1 0 353.854 2.614 20 5 FFBDRO COc1cc(Br)ccc1[C@H](C)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000190440871 510132724 /nfs/dbraw/zinc/13/27/24/510132724.db2.gz BKCNUKOLFHTXPY-JTQLQIEISA-N 1 0 369.219 2.913 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000193946820 510143313 /nfs/dbraw/zinc/14/33/13/510143313.db2.gz AXFMYWUHJDBUCF-UHFFFAOYSA-N 1 0 372.425 2.664 20 5 FFBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)NCc3cc([N+](=O)[O-])ccc3Cl)CC[C@@H]21 ZINC000268936685 510147460 /nfs/dbraw/zinc/14/74/60/510147460.db2.gz OYIYIXGCKYHACO-LRDDRELGSA-N 1 0 366.849 2.874 20 5 FFBDRO C[C@@]1(C[NH3+])CCN(C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000262022399 510151124 /nfs/dbraw/zinc/15/11/24/510151124.db2.gz OXCYMVMKTPCIBD-HNNXBMFYSA-N 1 0 374.363 2.613 20 5 FFBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H]([NH+](C)C)C1 ZINC000245819466 510156731 /nfs/dbraw/zinc/15/67/31/510156731.db2.gz UCDJOFBJLNVEAM-WCQYABFASA-N 1 0 354.838 2.601 20 5 FFBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000265678332 510170494 /nfs/dbraw/zinc/17/04/94/510170494.db2.gz DIOCTTUUXLNHAD-UHFFFAOYSA-N 1 0 365.405 2.590 20 5 FFBDRO CC[C@H]([NH2+]CC(=O)N1CCO[C@H]2CCCC[C@H]21)c1cccc([N+](=O)[O-])c1 ZINC000245898823 510195611 /nfs/dbraw/zinc/19/56/11/510195611.db2.gz RRADDDLTNNHAQP-KSZLIROESA-N 1 0 361.442 2.806 20 5 FFBDRO COc1cc[nH+]c(N2CCN(c3ccc4ncccc4c3[N+](=O)[O-])CC2)c1 ZINC000171564859 510228807 /nfs/dbraw/zinc/22/88/07/510228807.db2.gz AQVCIVWBWQIVIX-UHFFFAOYSA-N 1 0 365.393 2.873 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)c1 ZINC000174711766 510265840 /nfs/dbraw/zinc/26/58/40/510265840.db2.gz SLSSYHJVQQAHAE-MRXNPFEDSA-N 1 0 369.425 2.513 20 5 FFBDRO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000265907816 510292309 /nfs/dbraw/zinc/29/23/09/510292309.db2.gz AISVKMWEVRMDJN-FOOGCRFISA-N 1 0 367.833 2.978 20 5 FFBDRO [NH3+]C[C@H]1CCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000262540031 510312277 /nfs/dbraw/zinc/31/22/77/510312277.db2.gz RWZXWQOIRZYAHS-OAHLLOKOSA-N 1 0 354.410 2.628 20 5 FFBDRO C[C@H](Nc1ccc(C(=O)N[C@H](C[NH3+])C2CC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000262577039 510322517 /nfs/dbraw/zinc/32/25/17/510322517.db2.gz GKRYNVUSORPOSF-YVEFUNNKSA-N 1 0 369.425 2.630 20 5 FFBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000246212822 510367690 /nfs/dbraw/zinc/36/76/90/510367690.db2.gz NXQKHHPYRQLGOP-UKRRQHHQSA-N 1 0 371.224 2.688 20 5 FFBDRO CC(C)c1n[nH]c(C(=O)NCCC[N@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000269373836 510369113 /nfs/dbraw/zinc/36/91/13/510369113.db2.gz MWBIUNBGCUUITN-UHFFFAOYSA-N 1 0 359.430 2.693 20 5 FFBDRO Cc1c(C(=O)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)cn2)cccc1[N+](=O)[O-] ZINC000269404951 510388384 /nfs/dbraw/zinc/38/83/84/510388384.db2.gz FCTDGBCEDNHMAP-HNNXBMFYSA-N 1 0 369.425 2.691 20 5 FFBDRO CC[C@@H](NC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1)c1cccc([N+](=O)[O-])c1 ZINC000262768384 510404554 /nfs/dbraw/zinc/40/45/54/510404554.db2.gz MDVDMROKLJWELU-JKSUJKDBSA-N 1 0 357.414 2.597 20 5 FFBDRO CCC(CC)[C@H](CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])[NH+](C)C ZINC000181445982 510412192 /nfs/dbraw/zinc/41/21/92/510412192.db2.gz IILQQVVOPGBQIK-LBPRGKRZSA-N 1 0 363.505 2.838 20 5 FFBDRO Cc1cc(C(=O)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)cn2)cc([N+](=O)[O-])c1 ZINC000269449835 510413833 /nfs/dbraw/zinc/41/38/33/510413833.db2.gz SOVJIVRQBRYUHV-MRXNPFEDSA-N 1 0 369.425 2.691 20 5 FFBDRO CC(C)c1n[nH]c(C(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000269488643 510432148 /nfs/dbraw/zinc/43/21/48/510432148.db2.gz XGATWPGETUQAFG-ZDUSSCGKSA-N 1 0 359.430 2.692 20 5 FFBDRO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])cc1N1CCOC1=O)c1ccco1 ZINC000266151893 510435771 /nfs/dbraw/zinc/43/57/71/510435771.db2.gz KSISSMYZINJNKQ-HNNXBMFYSA-N 1 0 360.370 2.859 20 5 FFBDRO Cc1c(C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000175122498 510493081 /nfs/dbraw/zinc/49/30/81/510493081.db2.gz LHDPUZBAVHMJNC-UHFFFAOYSA-N 1 0 361.442 2.620 20 5 FFBDRO Cc1csc([C@@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C2CC2)n1 ZINC000181621630 510505200 /nfs/dbraw/zinc/50/52/00/510505200.db2.gz VKUDDOPLHNIZJK-HOCLYGCPSA-N 1 0 363.439 2.840 20 5 FFBDRO C[NH+](C)C[C@@H]1CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000172029526 510507805 /nfs/dbraw/zinc/50/78/05/510507805.db2.gz OGKAAKOUIHOGMO-INIZCTEOSA-N 1 0 363.461 2.565 20 5 FFBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000184812395 510525434 /nfs/dbraw/zinc/52/54/34/510525434.db2.gz AVFXJMBCOLPTEU-PWSUYJOCSA-N 1 0 370.247 2.770 20 5 FFBDRO CCC[C@@]1(COC)CCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000194925848 510593829 /nfs/dbraw/zinc/59/38/29/510593829.db2.gz RTWRVCGQHPOWQM-WMZOPIPTSA-N 1 0 352.431 2.616 20 5 FFBDRO COC(=O)[C@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000188107033 510597285 /nfs/dbraw/zinc/59/72/85/510597285.db2.gz FDXQCXFTKCLNTQ-DYVFJYSZSA-N 1 0 372.425 2.626 20 5 FFBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCC[C@@H]([NH3+])C3)cc2[N+](=O)[O-])C1 ZINC000191374543 510629663 /nfs/dbraw/zinc/62/96/63/510629663.db2.gz VXAZRCVZYVQTJJ-IIAWOOMASA-N 1 0 360.458 2.640 20 5 FFBDRO CC(C)CN(C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)C1CC[NH+](C)CC1 ZINC000181885050 510641803 /nfs/dbraw/zinc/64/18/03/510641803.db2.gz HRLSMBXLRCOPTG-UHFFFAOYSA-N 1 0 363.414 2.516 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000181915698 510658373 /nfs/dbraw/zinc/65/83/73/510658373.db2.gz ZGQWUVITVCSOHD-IRXDYDNUSA-N 1 0 364.442 2.758 20 5 FFBDRO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C[C@@H]1COc2ccccc2O1 ZINC000175484678 510661751 /nfs/dbraw/zinc/66/17/51/510661751.db2.gz CSEKNQNSBVFZQS-MRXNPFEDSA-N 1 0 371.393 2.695 20 5 FFBDRO C[N@@H+](Cc1ccccc1N1CCOCC1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000178569885 510667892 /nfs/dbraw/zinc/66/78/92/510667892.db2.gz XEQYRUWHDIPNLG-FQEVSTJZSA-N 1 0 371.437 2.597 20 5 FFBDRO C[C@H]1CN(C)c2ccccc2C[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181976739 510687905 /nfs/dbraw/zinc/68/79/05/510687905.db2.gz XJHJMEHATADSRF-RDJZCZTQSA-N 1 0 371.437 2.675 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CC[NH+](CC2CCOCC2)CC1 ZINC000172426463 510722575 /nfs/dbraw/zinc/72/25/75/510722575.db2.gz VEOWFOGPKYZCRJ-UHFFFAOYSA-N 1 0 353.850 2.792 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC2CC[NH+](Cc3cccnc3)CC2)c1 ZINC000175677870 510727888 /nfs/dbraw/zinc/72/78/88/510727888.db2.gz HOOSFCQNQFKDHR-UHFFFAOYSA-N 1 0 354.410 2.693 20 5 FFBDRO C[NH+]1CCC(N(Cc2ccco2)C(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000191620302 510755452 /nfs/dbraw/zinc/75/54/52/510755452.db2.gz WXVIAEBYDTWSJF-UHFFFAOYSA-N 1 0 358.398 2.507 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000182145591 510780678 /nfs/dbraw/zinc/78/06/78/510780678.db2.gz NUYVKSTYOAGTOZ-IRXDYDNUSA-N 1 0 357.410 2.521 20 5 FFBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)n1 ZINC000191684957 510785353 /nfs/dbraw/zinc/78/53/53/510785353.db2.gz ZKEGBPWGLMDPEP-UHFFFAOYSA-N 1 0 363.462 2.584 20 5 FFBDRO C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)C(C)(C)C[NH+](C)C ZINC000182157268 510787488 /nfs/dbraw/zinc/78/74/88/510787488.db2.gz PBPNNTOHRVPUCJ-JTQLQIEISA-N 1 0 359.373 2.902 20 5 FFBDRO COCC1(O)CC[NH+](Cc2cc(=O)oc3ccc4ccccc4c23)CC1 ZINC000270397132 510792916 /nfs/dbraw/zinc/79/29/16/510792916.db2.gz UPZISCNSHXYISU-UHFFFAOYSA-N 1 0 353.418 2.920 20 5 FFBDRO CC(=O)N1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C(C)(C)C1 ZINC000182177746 510796793 /nfs/dbraw/zinc/79/67/93/510796793.db2.gz JNYPOJUXGUSAEH-UHFFFAOYSA-N 1 0 372.425 2.735 20 5 FFBDRO COc1ccc([C@H](C)[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])cc1F ZINC000182179112 510798486 /nfs/dbraw/zinc/79/84/86/510798486.db2.gz ZYXBAAIRZRGHSB-JSGCOSHPSA-N 1 0 364.373 2.833 20 5 FFBDRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000185419552 510840412 /nfs/dbraw/zinc/84/04/12/510840412.db2.gz IJLBDTZVFKTALR-HNNXBMFYSA-N 1 0 371.441 2.775 20 5 FFBDRO CCS[C@@H]1CC[C@H]([N@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000247539921 510864986 /nfs/dbraw/zinc/86/49/86/510864986.db2.gz PAHTYBFDNHQLLF-YSVLISHTSA-N 1 0 354.472 2.941 20 5 FFBDRO CC(=O)c1cccc(OC[C@H](O)C[N@H+](C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000285359431 510875759 /nfs/dbraw/zinc/87/57/59/510875759.db2.gz QFHQVBZGVWMLNW-GOSISDBHSA-N 1 0 372.421 2.712 20 5 FFBDRO O=[N+]([O-])c1ccc2c(ccnc2N2CC[NH+](CC3CCOCC3)CC2)c1 ZINC000297318917 510901954 /nfs/dbraw/zinc/90/19/54/510901954.db2.gz ZMTXDLPTDMEFJZ-UHFFFAOYSA-N 1 0 356.426 2.692 20 5 FFBDRO COC(=O)Cc1ccc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c([N+](=O)[O-])c1 ZINC000297354293 510914164 /nfs/dbraw/zinc/91/41/64/510914164.db2.gz BRYJFFCKROFKSX-RDJZCZTQSA-N 1 0 373.453 2.763 20 5 FFBDRO C[C@H]([NH2+]CCS(=O)(=O)CCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000282312875 510926301 /nfs/dbraw/zinc/92/63/01/510926301.db2.gz HDMKIBYEYVNIFY-HNNXBMFYSA-N 1 0 362.451 2.903 20 5 FFBDRO Cn1cc([N+](=O)[O-])c(C(=O)NCc2ccccc2C[NH+]2CCCCCC2)n1 ZINC000270756682 510975537 /nfs/dbraw/zinc/97/55/37/510975537.db2.gz DMNHKQKVFNDQNK-UHFFFAOYSA-N 1 0 371.441 2.634 20 5 FFBDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000270801232 510988551 /nfs/dbraw/zinc/98/85/51/510988551.db2.gz MACWWXIRTDQYHH-QZTJIDSGSA-N 1 0 358.442 2.896 20 5 FFBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000270976780 511044332 /nfs/dbraw/zinc/04/43/32/511044332.db2.gz ITGYBNRNLAHXFM-HNNXBMFYSA-N 1 0 374.485 2.997 20 5 FFBDRO CN(C)[C@H](CNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000282711475 511082724 /nfs/dbraw/zinc/08/27/24/511082724.db2.gz BLXZAXLEKPXSLL-MRXNPFEDSA-N 1 0 360.414 2.675 20 5 FFBDRO CC[NH+](CC)CC1CCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC1 ZINC000332601284 511085013 /nfs/dbraw/zinc/08/50/13/511085013.db2.gz IGWUUSUVBSRHDE-UHFFFAOYSA-N 1 0 363.414 2.518 20 5 FFBDRO CCS(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000294616343 511122410 /nfs/dbraw/zinc/12/24/10/511122410.db2.gz DZUOQUFDJZGPHT-LBPRGKRZSA-N 1 0 363.439 2.821 20 5 FFBDRO COc1cc(C(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000294648398 511131681 /nfs/dbraw/zinc/13/16/81/511131681.db2.gz VLSSCFLMBRFZRJ-VXGBXAGGSA-N 1 0 353.394 2.593 20 5 FFBDRO COc1cc(C(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000294648396 511131710 /nfs/dbraw/zinc/13/17/10/511131710.db2.gz VLSSCFLMBRFZRJ-RYUDHWBXSA-N 1 0 353.394 2.593 20 5 FFBDRO CC(C)c1nnc(CNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000294722066 511154930 /nfs/dbraw/zinc/15/49/30/511154930.db2.gz FPRKSOJVJVDOES-UHFFFAOYSA-N 1 0 355.402 2.527 20 5 FFBDRO CN1CC[NH+](CC2(C)CCN(c3cccc(F)c3[N+](=O)[O-])CC2)CC1 ZINC000364948589 511170578 /nfs/dbraw/zinc/17/05/78/511170578.db2.gz YXISXEGWYATCGE-UHFFFAOYSA-N 1 0 350.438 2.588 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)C2CC[NH+](C(C)C)CC2)c1C ZINC000298160660 511193681 /nfs/dbraw/zinc/19/36/81/511193681.db2.gz QKHJWUMUZFEGMH-UHFFFAOYSA-N 1 0 369.487 2.705 20 5 FFBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NCCC[C@H]1CCC[NH2+]1 ZINC000294941493 511228843 /nfs/dbraw/zinc/22/88/43/511228843.db2.gz VKOGARWZNDVKDU-CYBMUJFWSA-N 1 0 355.822 2.666 20 5 FFBDRO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C3CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000362776419 511235668 /nfs/dbraw/zinc/23/56/68/511235668.db2.gz UZUNJGCMPSLDGW-GOEBONIOSA-N 1 0 361.442 2.979 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000294968334 511238491 /nfs/dbraw/zinc/23/84/91/511238491.db2.gz NBWUTBOXBWTPRN-WMLDXEAASA-N 1 0 361.442 2.746 20 5 FFBDRO COc1cccc([C@@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)c1 ZINC000271660303 511278675 /nfs/dbraw/zinc/27/86/75/511278675.db2.gz KVZUXDSILCGBMA-GFCCVEGCSA-N 1 0 359.382 2.901 20 5 FFBDRO COc1ccc(NC(=O)CC[N@H+]([C@H](C)CO)C2CCCC2)c([N+](=O)[O-])c1 ZINC000298431865 511282579 /nfs/dbraw/zinc/28/25/79/511282579.db2.gz GMUQSEJKZYBKLR-CYBMUJFWSA-N 1 0 365.430 2.557 20 5 FFBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2cccc(S(N)(=O)=O)c2)cc1[N+](=O)[O-] ZINC000271697303 511290599 /nfs/dbraw/zinc/29/05/99/511290599.db2.gz LBNRRTJCLDJSSJ-QWHCGFSZSA-N 1 0 363.439 2.962 20 5 FFBDRO C[NH+](C)[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CC1 ZINC000365233248 511331679 /nfs/dbraw/zinc/33/16/79/511331679.db2.gz UHEVWXLQKBULFQ-OAHLLOKOSA-N 1 0 360.458 2.751 20 5 FFBDRO COc1ccc(C[NH2+]C2CCN(C(=O)OCC(C)C)CC2)cc1[N+](=O)[O-] ZINC000271945636 511379669 /nfs/dbraw/zinc/37/96/69/511379669.db2.gz QAGSAHFUNQBWGU-UHFFFAOYSA-N 1 0 365.430 2.950 20 5 FFBDRO CO[C@]1(C)CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000280239863 511387926 /nfs/dbraw/zinc/38/79/26/511387926.db2.gz AXUQDACYCXYTRJ-QGZVFWFLSA-N 1 0 353.394 2.954 20 5 FFBDRO C[C@@H]1CN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC[N@@H+](C2CC2)C1 ZINC000295422049 511400154 /nfs/dbraw/zinc/40/01/54/511400154.db2.gz UBMWVALXNKRCLM-ZDUSSCGKSA-N 1 0 356.426 2.561 20 5 FFBDRO COc1ccc(CNC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000298862900 511434767 /nfs/dbraw/zinc/43/47/67/511434767.db2.gz KJQQTPNQMZWUGU-KRWDZBQOSA-N 1 0 372.425 2.706 20 5 FFBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H](c3nnc(C4CCCCC4)[nH]3)C2)c1 ZINC000272179828 511455818 /nfs/dbraw/zinc/45/58/18/511455818.db2.gz CQSUEGDMUYODRY-HNNXBMFYSA-N 1 0 373.461 2.837 20 5 FFBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1 ZINC000272205181 511464095 /nfs/dbraw/zinc/46/40/95/511464095.db2.gz ZDHMXJJIGPLGPU-SWLSCSKDSA-N 1 0 353.369 2.629 20 5 FFBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292245560 511520141 /nfs/dbraw/zinc/52/01/41/511520141.db2.gz XFSUQIDGMPBMKH-SJKOYZFVSA-N 1 0 366.849 2.603 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)c1 ZINC000299240048 511562119 /nfs/dbraw/zinc/56/21/19/511562119.db2.gz WPRQHNFWNATBBP-QGZVFWFLSA-N 1 0 361.373 2.775 20 5 FFBDRO O=C(CC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2)Nc1cc([N+](=O)[O-])ccc1F ZINC000296168858 511642135 /nfs/dbraw/zinc/64/21/35/511642135.db2.gz UWVGATPUBSSICT-JCURWCKSSA-N 1 0 363.389 2.610 20 5 FFBDRO C[C@H]1C[NH+](CCCNc2ncc(Br)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000301710506 511700687 /nfs/dbraw/zinc/70/06/87/511700687.db2.gz XOBUUCUZPBXXOE-QWRGUYRKSA-N 1 0 373.251 2.664 20 5 FFBDRO O=C(NCC[NH+]1CCCCC1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000281064345 511707053 /nfs/dbraw/zinc/70/70/53/511707053.db2.gz YYUWDSPPFHKKQD-UHFFFAOYSA-N 1 0 354.410 2.873 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])c(-c2nc([C@@H]3C[N@@H+]4CCC[C@]4(C)CO3)no2)c1 ZINC000350338568 511781795 /nfs/dbraw/zinc/78/17/95/511781795.db2.gz JQMHROLUCRMZET-MAUKXSAKSA-N 1 0 374.397 2.969 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)n1 ZINC000312597589 511785854 /nfs/dbraw/zinc/78/58/54/511785854.db2.gz FIHSRZPESIZCOC-ZFWWWQNUSA-N 1 0 370.409 2.851 20 5 FFBDRO C[N@@H+]1CCC[C@]2(CCN(Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)C2)C1 ZINC000293014213 511807716 /nfs/dbraw/zinc/80/77/16/511807716.db2.gz QBHNRJKWQYQSGH-SFHVURJKSA-N 1 0 357.414 2.563 20 5 FFBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@H](O)COc2ccc(Cl)cc2)cc1 ZINC000324778200 511840224 /nfs/dbraw/zinc/84/02/24/511840224.db2.gz GWGPLEVROSJPAI-INIZCTEOSA-N 1 0 350.802 2.820 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000324966660 511843056 /nfs/dbraw/zinc/84/30/56/511843056.db2.gz MDARQAURUKZJJB-QWHCGFSZSA-N 1 0 373.862 2.543 20 5 FFBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)CCOc2cc(C)ccc2[N+](=O)[O-])C1 ZINC000281447638 511851795 /nfs/dbraw/zinc/85/17/95/511851795.db2.gz DYQYKCQBTIHZIA-INIZCTEOSA-N 1 0 363.458 2.862 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CCCO[C@@H](C(C)C)C1 ZINC000293184514 511872750 /nfs/dbraw/zinc/87/27/50/511872750.db2.gz PVSMCQGOIMXBLZ-CXAGYDPISA-N 1 0 365.430 2.677 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)c1C ZINC000327758588 511881236 /nfs/dbraw/zinc/88/12/36/511881236.db2.gz RNRYMBLMQGXKJC-JKSUJKDBSA-N 1 0 367.471 2.507 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)c1 ZINC000281646332 511919836 /nfs/dbraw/zinc/91/98/36/511919836.db2.gz RMDRKFYIIWYEPV-HNNXBMFYSA-N 1 0 363.458 2.861 20 5 FFBDRO COc1ccccc1COC[C@H](O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296846447 511921361 /nfs/dbraw/zinc/92/13/61/511921361.db2.gz XQNBBSRPIMWPTI-KBXCAEBGSA-N 1 0 360.410 2.832 20 5 FFBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000293517176 511993609 /nfs/dbraw/zinc/99/36/09/511993609.db2.gz UBMFSWSWXVYBHT-QAPCUYQASA-N 1 0 372.469 2.655 20 5 FFBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000293517173 511993792 /nfs/dbraw/zinc/99/37/92/511993792.db2.gz UBMFSWSWXVYBHT-MAUKXSAKSA-N 1 0 372.469 2.655 20 5 FFBDRO Cn1nccc1[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000281963380 512029632 /nfs/dbraw/zinc/02/96/32/512029632.db2.gz GJJMIIZSGZYKIF-QGZVFWFLSA-N 1 0 357.414 2.884 20 5 FFBDRO Cc1cc(C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H]([NH3+])C2)cc([N+](=O)[O-])c1 ZINC000297139179 512034170 /nfs/dbraw/zinc/03/41/70/512034170.db2.gz IAXXQENVVNEHQT-ZWKOTPCHSA-N 1 0 357.385 2.999 20 5 FFBDRO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC[N@@H+](C2CCC2)C1 ZINC000293665007 512044863 /nfs/dbraw/zinc/04/48/63/512044863.db2.gz JTTLKJYPCWNLQV-AWEZNQCLSA-N 1 0 360.458 2.607 20 5 FFBDRO C[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@]2(CCCOC2)O1 ZINC000366484456 512048455 /nfs/dbraw/zinc/04/84/55/512048455.db2.gz JDSNXHZXPBWAAI-SJCJKPOMSA-N 1 0 372.368 2.966 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCCC[C@@H]1c1cc[nH]n1 ZINC000285292156 512066571 /nfs/dbraw/zinc/06/65/71/512066571.db2.gz GNIYZHQOQUKCRM-MRXNPFEDSA-N 1 0 373.413 2.882 20 5 FFBDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000369670340 512546274 /nfs/dbraw/zinc/54/62/74/512546274.db2.gz LOVJSWQFDTZADA-GFCCVEGCSA-N 1 0 367.833 2.574 20 5 FFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000378220330 512645647 /nfs/dbraw/zinc/64/56/47/512645647.db2.gz CBDKKRVJNMWELG-INIZCTEOSA-N 1 0 351.834 2.781 20 5 FFBDRO CCc1ccc([C@H](CO)[NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000411510670 512668078 /nfs/dbraw/zinc/66/80/78/512668078.db2.gz OEUNVMQLSYWTIL-SFHVURJKSA-N 1 0 357.410 2.809 20 5 FFBDRO O=C(CC[N@@H+]1CC[C@@H](n2cc(Cl)cn2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000367984369 512751231 /nfs/dbraw/zinc/75/12/31/512751231.db2.gz AZRJIJNNFHOYJQ-OAHLLOKOSA-N 1 0 363.805 2.720 20 5 FFBDRO COC[C@H]1CCCC[N@@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000376370612 512789088 /nfs/dbraw/zinc/78/90/88/512789088.db2.gz RJSLPWOVFINBLA-KBPBESRZSA-N 1 0 365.430 2.679 20 5 FFBDRO O=C1C[C@H]([C@@H]2CCCC[N@H+]2Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CN1 ZINC000372335067 512820762 /nfs/dbraw/zinc/82/07/62/512820762.db2.gz ZASXSHDYHKKIPJ-YOEHRIQHSA-N 1 0 370.409 2.740 20 5 FFBDRO CCOc1cc(C[N@@H+]2C[C@H](C(N)=O)[C@@H](c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000411970524 512895308 /nfs/dbraw/zinc/89/53/08/512895308.db2.gz FXZRARSFPCHKPQ-SJORKVTESA-N 1 0 369.421 2.694 20 5 FFBDRO NC(=O)c1ccc(C[N@@H+]2CCC[C@H](Oc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000411980662 512899769 /nfs/dbraw/zinc/89/97/69/512899769.db2.gz HNIBVJXEQAMQGU-KRWDZBQOSA-N 1 0 355.394 2.737 20 5 FFBDRO C[C@@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000376636958 512912179 /nfs/dbraw/zinc/91/21/79/512912179.db2.gz NCJFKCGVOAYZBC-PBHICJAKSA-N 1 0 366.893 2.706 20 5 FFBDRO COc1cc(NCCN2CC[NH+](Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000390863885 512913192 /nfs/dbraw/zinc/91/31/92/512913192.db2.gz GJGKFDWZYDIWPK-UHFFFAOYSA-N 1 0 370.453 2.833 20 5 FFBDRO C[C@H](NC(=O)c1c(N)cccc1[N+](=O)[O-])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000374797696 513008711 /nfs/dbraw/zinc/00/87/11/513008711.db2.gz FUSIWKIWWUYVAW-GOEBONIOSA-N 1 0 368.437 2.817 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N[C@@H](C)C[NH+]2CCCCCC2)c1F ZINC000412256324 513013038 /nfs/dbraw/zinc/01/30/38/513013038.db2.gz GWNOEMCUVBLQMQ-ZDUSSCGKSA-N 1 0 367.421 2.666 20 5 FFBDRO Cc1cccc(NC[C@H]2CCCN2C(=O)c2cc([N+](=O)[O-])c(F)cc2N)n1 ZINC000374829976 513025540 /nfs/dbraw/zinc/02/55/40/513025540.db2.gz QBJGSJNCYWNUEC-GFCCVEGCSA-N 1 0 373.388 2.736 20 5 FFBDRO C[C@H](NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000412362207 513053852 /nfs/dbraw/zinc/05/38/52/513053852.db2.gz GTLUGNIOYIWIQO-SUMWQHHRSA-N 1 0 363.483 2.990 20 5 FFBDRO CC(C)c1n[nH]c(C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000433827975 513160329 /nfs/dbraw/zinc/16/03/29/513160329.db2.gz GBRJACGOVIEGEB-CYBMUJFWSA-N 1 0 351.451 2.826 20 5 FFBDRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000412562811 513165097 /nfs/dbraw/zinc/16/50/97/513165097.db2.gz JDKPSGDHRCBAMB-UHFFFAOYSA-N 1 0 365.411 2.858 20 5 FFBDRO C[C@@]12CC[N@H+](CCCn3c(=O)oc4ccc([N+](=O)[O-])cc43)C[C@@H]1C2(F)F ZINC000428735796 513177274 /nfs/dbraw/zinc/17/72/74/513177274.db2.gz XJLFMVOXKFAQMV-GOEBONIOSA-N 1 0 367.352 2.870 20 5 FFBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000417730506 513184481 /nfs/dbraw/zinc/18/44/81/513184481.db2.gz QXXSVFQNQPOTKJ-YESZJQIVSA-N 1 0 360.458 2.605 20 5 FFBDRO CC(C)c1n[nH]c(C(=O)N(CC[NH+](C)C)Cc2cccs2)c1[N+](=O)[O-] ZINC000434014929 513216257 /nfs/dbraw/zinc/21/62/57/513216257.db2.gz YLYRMHXKOPHJQF-UHFFFAOYSA-N 1 0 365.459 2.707 20 5 FFBDRO C[C@@H](NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1)[C@H]1CCC[NH2+]C1 ZINC000428978838 513239610 /nfs/dbraw/zinc/23/96/10/513239610.db2.gz PVXTUCYJAGAMTC-WBVHZDCISA-N 1 0 374.485 2.949 20 5 FFBDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000446492624 513270799 /nfs/dbraw/zinc/27/07/99/513270799.db2.gz ALAJKFHSQBQFDE-INIZCTEOSA-N 1 0 364.446 2.868 20 5 FFBDRO Cc1c(NC(=O)C(=O)Nc2ccc(C[NH+](C)C)cc2)cccc1[N+](=O)[O-] ZINC000446654224 513307472 /nfs/dbraw/zinc/30/74/72/513307472.db2.gz UELYQQLUIFJUDW-UHFFFAOYSA-N 1 0 356.382 2.542 20 5 FFBDRO CN(C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000417985265 513318135 /nfs/dbraw/zinc/31/81/35/513318135.db2.gz GZDXOXWFDMYJAN-YIONKMFJSA-N 1 0 366.849 2.715 20 5 FFBDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000417988904 513320315 /nfs/dbraw/zinc/32/03/15/513320315.db2.gz KJDVYNYCAZCFJV-CQSZACIVSA-N 1 0 356.854 2.806 20 5 FFBDRO CC(C)[C@](C)(C[NH3+])NC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000429280103 513323977 /nfs/dbraw/zinc/32/39/77/513323977.db2.gz WZFUZVKEOMELJJ-LIRRHRJNSA-N 1 0 362.474 2.934 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@@H]2C[C@H]2c2ccccc2)cc1 ZINC000418003926 513330785 /nfs/dbraw/zinc/33/07/85/513330785.db2.gz NLCOBDHQZCYOEM-YJBOKZPZSA-N 1 0 360.435 2.762 20 5 FFBDRO CCC1(CC)[C@H]([NH2+]CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@@H]1OC ZINC000429299656 513333190 /nfs/dbraw/zinc/33/31/90/513333190.db2.gz ZUHKKCWGIYBDEZ-SJORKVTESA-N 1 0 361.442 2.667 20 5 FFBDRO C[N@@H+]1CC[C@@H]2CN(c3cc(C(F)(F)C(F)(F)F)ncc3[N+](=O)[O-])C[C@@H]21 ZINC000450775611 513335043 /nfs/dbraw/zinc/33/50/43/513335043.db2.gz GEXDKSDHTWBOBT-KCJUWKMLSA-N 1 0 366.290 2.784 20 5 FFBDRO COC(=O)c1cc(NC(=O)N(C)CC[C@@H]([NH3+])C(C)C)c(C)c([N+](=O)[O-])c1 ZINC000415593931 513340790 /nfs/dbraw/zinc/34/07/90/513340790.db2.gz FSFWSZQIJQJCJO-CYBMUJFWSA-N 1 0 366.418 2.527 20 5 FFBDRO COC(=O)c1cc(NC(=O)N(C)CC[C@H]([NH3+])C(C)C)c(C)c([N+](=O)[O-])c1 ZINC000415593933 513340802 /nfs/dbraw/zinc/34/08/02/513340802.db2.gz FSFWSZQIJQJCJO-ZDUSSCGKSA-N 1 0 366.418 2.527 20 5 FFBDRO COC(=O)c1cc(NC(=O)N[C@@](C)(C[NH3+])CC(C)C)c(C)c([N+](=O)[O-])c1 ZINC000415594337 513340987 /nfs/dbraw/zinc/34/09/87/513340987.db2.gz GEDVMDSVLIRUJN-QGZVFWFLSA-N 1 0 366.418 2.575 20 5 FFBDRO C[NH2+][C@@H]1CCCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)C1 ZINC000415647962 513361355 /nfs/dbraw/zinc/36/13/55/513361355.db2.gz BAYKYWBUBLFNPC-LLVKDONJSA-N 1 0 371.235 2.881 20 5 FFBDRO O=C(NCC[NH2+]C1CCCCCC1)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000418084794 513366506 /nfs/dbraw/zinc/36/65/06/513366506.db2.gz ROFCPLFXVXHOIZ-UHFFFAOYSA-N 1 0 374.445 2.583 20 5 FFBDRO CCCN(C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H]1CC[NH2+]C1 ZINC000418086162 513367113 /nfs/dbraw/zinc/36/71/13/513367113.db2.gz CAMMTRCPEYJNQW-CYBMUJFWSA-N 1 0 374.363 2.897 20 5 FFBDRO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000418086711 513367595 /nfs/dbraw/zinc/36/75/95/513367595.db2.gz DLZVEOIQRRWSEN-ZDUSSCGKSA-N 1 0 372.347 2.650 20 5 FFBDRO C[C@H](CCCC[NH3+])NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000418088388 513367770 /nfs/dbraw/zinc/36/77/70/513367770.db2.gz KIKMJHXEJXBQGO-SNVBAGLBSA-N 1 0 362.352 2.930 20 5 FFBDRO Cn1cc(C(=O)NC2CCC([NH+](C)C)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000421685399 513369995 /nfs/dbraw/zinc/36/99/95/513369995.db2.gz RAGDRXLFGDDILY-UHFFFAOYSA-N 1 0 371.441 2.598 20 5 FFBDRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000418107572 513375467 /nfs/dbraw/zinc/37/54/67/513375467.db2.gz FBFUFFIGPUELSM-LSDHHAIUSA-N 1 0 359.426 2.742 20 5 FFBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000421706463 513378653 /nfs/dbraw/zinc/37/86/53/513378653.db2.gz VAFCEZVPIHTTNZ-CYBMUJFWSA-N 1 0 355.822 2.570 20 5 FFBDRO COc1cc(C[NH2+][C@H]2C[C@@](C)(O)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000418123837 513380533 /nfs/dbraw/zinc/38/05/33/513380533.db2.gz YTTBIFDSOFAHSG-WJONMLJTSA-N 1 0 364.320 2.548 20 5 FFBDRO C[C@@H]1C[N@@H+](C2CCN(c3nccc4ccc([N+](=O)[O-])cc43)CC2)CCO1 ZINC000413069389 513422039 /nfs/dbraw/zinc/42/20/39/513422039.db2.gz DVGHSGBYAQARBC-CQSZACIVSA-N 1 0 356.426 2.833 20 5 FFBDRO Cn1c(Sc2nccc3ccc([N+](=O)[O-])cc32)nnc1C1CC[NH2+]CC1 ZINC000413148397 513482936 /nfs/dbraw/zinc/48/29/36/513482936.db2.gz PXRPPHUCAICSNH-UHFFFAOYSA-N 1 0 370.438 2.890 20 5 FFBDRO CC[NH2+]Cc1cccc(NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)c1 ZINC000415937520 513487961 /nfs/dbraw/zinc/48/79/61/513487961.db2.gz WWOTVAFUVQBEMF-UHFFFAOYSA-N 1 0 357.414 2.938 20 5 FFBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000415950025 513495784 /nfs/dbraw/zinc/49/57/84/513495784.db2.gz XBTFYORGWJXKAJ-UHFFFAOYSA-N 1 0 358.398 2.639 20 5 FFBDRO CN(C)C(=O)c1cccc(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000447525654 513497209 /nfs/dbraw/zinc/49/72/09/513497209.db2.gz APYAOYUBEWODKV-IAGOWNOFSA-N 1 0 371.441 2.767 20 5 FFBDRO CCNC(=O)c1cccc(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000447529922 513498807 /nfs/dbraw/zinc/49/88/07/513498807.db2.gz NCHBWYJCHHJLFB-IRXDYDNUSA-N 1 0 371.441 2.815 20 5 FFBDRO O=C(C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)Nc1ccc(F)cc1 ZINC000447540488 513501757 /nfs/dbraw/zinc/50/17/57/513501757.db2.gz JVMKUBMVQZHBCN-CABCVRRESA-N 1 0 361.377 2.642 20 5 FFBDRO O=C(CC1CCCC1)NCC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447540470 513502380 /nfs/dbraw/zinc/50/23/80/513502380.db2.gz JTVKRHGSILINJS-JKSUJKDBSA-N 1 0 363.462 2.561 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCN2CCc3ccccc3C2)n1 ZINC000447538028 513502724 /nfs/dbraw/zinc/50/27/24/513502724.db2.gz ABUYTNHCVNZIDC-RBUKOAKNSA-N 1 0 369.469 2.923 20 5 FFBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000415966862 513505850 /nfs/dbraw/zinc/50/58/50/513505850.db2.gz WLYQAKPHEACFPS-OAHLLOKOSA-N 1 0 369.425 2.512 20 5 FFBDRO COc1ccc(OCC[N@@H+]2CCC[C@H]([C@@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000441186292 513508345 /nfs/dbraw/zinc/50/83/45/513508345.db2.gz WNDSXDZADQZSLF-LSDHHAIUSA-N 1 0 350.415 2.731 20 5 FFBDRO Cc1cc(N2CCC([NH2+][C@H]3CCCC[C@H]3n3ccc([N+](=O)[O-])n3)CC2)n[nH]1 ZINC000447598020 513518816 /nfs/dbraw/zinc/51/88/16/513518816.db2.gz GOOOZRYDHFFWNH-JKSUJKDBSA-N 1 0 373.461 2.565 20 5 FFBDRO O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435246743 513543113 /nfs/dbraw/zinc/54/31/13/513543113.db2.gz SMNSLBMGTIBWPF-CQSZACIVSA-N 1 0 358.423 2.685 20 5 FFBDRO Cc1cnc(OC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c([N+](=O)[O-])c1 ZINC000430117264 513558585 /nfs/dbraw/zinc/55/85/85/513558585.db2.gz YTSLAKVDJOVERO-QGZVFWFLSA-N 1 0 357.410 2.968 20 5 FFBDRO Cc1ccc(CN(Cc2nccn2C)[C@H]2CC23CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000435431768 513584317 /nfs/dbraw/zinc/58/43/17/513584317.db2.gz FTNPNHAGNZPXPP-SFHVURJKSA-N 1 0 369.469 2.781 20 5 FFBDRO Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2C)n(C2CC[NH+](C)CC2)n1 ZINC000430471285 513662429 /nfs/dbraw/zinc/66/24/29/513662429.db2.gz JUVYIYROWMGYOR-UHFFFAOYSA-N 1 0 357.414 2.927 20 5 FFBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@H](CCO)c2cccc(C(F)(F)F)c2)n1 ZINC000451301807 513663516 /nfs/dbraw/zinc/66/35/16/513663516.db2.gz CTQDSJUHYMTGQA-CYBMUJFWSA-N 1 0 358.320 2.523 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000413491320 513681358 /nfs/dbraw/zinc/68/13/58/513681358.db2.gz BBIUMJXWYNIRIW-STQMWFEESA-N 1 0 367.421 2.616 20 5 FFBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000451339620 513686309 /nfs/dbraw/zinc/68/63/09/513686309.db2.gz ILTBNIWGSFOVTH-BVPBIZIASA-N 1 0 361.442 2.937 20 5 FFBDRO Cc1cc(C(=O)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)cn2)ccc1[N+](=O)[O-] ZINC000448191881 513703342 /nfs/dbraw/zinc/70/33/42/513703342.db2.gz SQHDLHLTSWVMIS-INIZCTEOSA-N 1 0 369.425 2.691 20 5 FFBDRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNc1c([N+](=O)[O-])c(C)nn1C ZINC000413536427 513703544 /nfs/dbraw/zinc/70/35/44/513703544.db2.gz QWJRRVKYDZBJOZ-IAGOWNOFSA-N 1 0 373.457 2.586 20 5 FFBDRO Cc1cc(OCC(=O)N2CC[N@@H+](C)CC23CCCCC3)ccc1[N+](=O)[O-] ZINC000430708164 513729065 /nfs/dbraw/zinc/72/90/65/513729065.db2.gz ZYUFTDUBFIOBJA-UHFFFAOYSA-N 1 0 361.442 2.759 20 5 FFBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)cc1OC ZINC000430723939 513734043 /nfs/dbraw/zinc/73/40/43/513734043.db2.gz UADZLKQNQTTZBC-INIZCTEOSA-N 1 0 365.430 2.510 20 5 FFBDRO CC1(C)CCC[NH2+][C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000430726467 513735387 /nfs/dbraw/zinc/73/53/87/513735387.db2.gz WGJWZDQJTMBWRH-ZDUSSCGKSA-N 1 0 370.247 2.865 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000442601598 513742992 /nfs/dbraw/zinc/74/29/92/513742992.db2.gz TXZPXGWJCFHPJX-RYUDHWBXSA-N 1 0 355.822 2.603 20 5 FFBDRO C[NH+](C)[C@H](CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)C1CC1 ZINC000436062475 513749403 /nfs/dbraw/zinc/74/94/03/513749403.db2.gz RGYAGRWGZLDHEM-QGZVFWFLSA-N 1 0 367.424 2.890 20 5 FFBDRO CC1(C)[C@H]([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H]2CCCO[C@H]21 ZINC000451479055 513776107 /nfs/dbraw/zinc/77/61/07/513776107.db2.gz LQWZMMAJFMIPTA-IUIKQTSFSA-N 1 0 367.833 2.980 20 5 FFBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CC[NH2+]Cc2ccccc21 ZINC000430959290 513792915 /nfs/dbraw/zinc/79/29/15/513792915.db2.gz XXJLFRVYBYMWMR-UHFFFAOYSA-N 1 0 368.393 2.503 20 5 FFBDRO CC1(C)[C@H](Oc2ccccc2)C[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000451514752 513801967 /nfs/dbraw/zinc/80/19/67/513801967.db2.gz YQUNBVDKDCZSOI-DLBZAZTESA-N 1 0 357.410 2.592 20 5 FFBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000448706584 513857149 /nfs/dbraw/zinc/85/71/49/513857149.db2.gz ZIGMNKISNLXKOM-HUUCEWRRSA-N 1 0 371.441 2.631 20 5 FFBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2c3ccccc3C[C@H]2C[NH3+])cc1OC ZINC000422625953 513879381 /nfs/dbraw/zinc/87/93/81/513879381.db2.gz IJQGODBPMJOEHX-ZDUSSCGKSA-N 1 0 371.393 2.532 20 5 FFBDRO Cc1cc(OCC(=O)NC[C@H](c2cccs2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000431349577 513879866 /nfs/dbraw/zinc/87/98/66/513879866.db2.gz MHVHDBDGXJHCGB-OAHLLOKOSA-N 1 0 363.439 2.763 20 5 FFBDRO CN(CC[NH+]1CCCC1)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000426262470 513889675 /nfs/dbraw/zinc/88/96/75/513889675.db2.gz FJIOYLRQGLFKAD-UHFFFAOYSA-N 1 0 374.363 2.851 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)C(C)(C)C[NH+]2CCCC2)c1C ZINC000416658303 513892655 /nfs/dbraw/zinc/89/26/55/513892655.db2.gz FNEROCRFNGEPMQ-UHFFFAOYSA-N 1 0 369.487 2.707 20 5 FFBDRO COc1cc(C(=O)NCC[N@H+](C)Cc2ccccc2)c([N+](=O)[O-])cc1F ZINC000448777483 513893141 /nfs/dbraw/zinc/89/31/41/513893141.db2.gz MGHBSMDWHXDVRQ-UHFFFAOYSA-N 1 0 361.373 2.604 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422715452 513909860 /nfs/dbraw/zinc/90/98/60/513909860.db2.gz MEJYGEBOALSARO-PXNSSMCTSA-N 1 0 369.421 2.949 20 5 FFBDRO O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000448934807 513979192 /nfs/dbraw/zinc/97/91/92/513979192.db2.gz XHFRSOJYAUUXLX-MRXNPFEDSA-N 1 0 369.425 2.685 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2csc(N3CC[NH+](C[C@@H]4CCOC4)CC3)n2)cc1 ZINC000448979504 514004462 /nfs/dbraw/zinc/00/44/62/514004462.db2.gz IUJLOIUGQMDCHW-AWEZNQCLSA-N 1 0 374.466 2.877 20 5 FFBDRO C[NH+](C)CC[C@@](C)(O)CNC(=O)c1cc2ccccc2c2cccnc12 ZINC000420044649 514007192 /nfs/dbraw/zinc/00/71/92/514007192.db2.gz PXYXBGCRWDLRDS-OAQYLSRUSA-N 1 0 351.450 2.821 20 5 FFBDRO Cc1cc(N2CCC[C@@]3(CC[NH2+]C3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000420258205 514063339 /nfs/dbraw/zinc/06/33/39/514063339.db2.gz XOFJEBARMMGGGA-IBGZPJMESA-N 1 0 353.426 2.940 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CC[C@H]3C[NH2+]C[C@H]3C2)nc1OCc1ccccc1 ZINC000420257753 514063357 /nfs/dbraw/zinc/06/33/57/514063357.db2.gz KMOBXSLNKBZWFI-HOTGVXAUSA-N 1 0 354.410 2.615 20 5 FFBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H](CO)Cc2cc(F)c(F)c(F)c2)c1 ZINC000443991486 514094740 /nfs/dbraw/zinc/09/47/40/514094740.db2.gz VBLYSXWPSQCXOZ-ZDUSSCGKSA-N 1 0 354.328 2.953 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccccc1CS(C)(=O)=O ZINC000449169094 514099238 /nfs/dbraw/zinc/09/92/38/514099238.db2.gz GAWQFRYXGRRDRF-AWEZNQCLSA-N 1 0 362.451 2.860 20 5 FFBDRO COc1cc(CNCC[N@@H+]2CCCC(C)(C)C2)c([N+](=O)[O-])cc1OC ZINC000444019195 514100512 /nfs/dbraw/zinc/10/05/12/514100512.db2.gz WQRFKNZJESVNGO-UHFFFAOYSA-N 1 0 351.447 2.824 20 5 FFBDRO C[C@@H](CC[NH+](C)C)NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444025247 514102231 /nfs/dbraw/zinc/10/22/31/514102231.db2.gz TWWGEVJLRFKCQZ-LBPRGKRZSA-N 1 0 355.413 2.890 20 5 FFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000449214401 514116668 /nfs/dbraw/zinc/11/66/68/514116668.db2.gz YDTQLLUPHNESBE-ZNMIVQPWSA-N 1 0 363.483 2.924 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(CS(C)(=O)=O)cc1 ZINC000449217936 514118470 /nfs/dbraw/zinc/11/84/70/514118470.db2.gz CYPUTNVBGFOJHS-AWEZNQCLSA-N 1 0 362.451 2.860 20 5 FFBDRO O=C(CN1CCCC[C@H]1[C@H]1CC[NH2+]C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000420387006 514122483 /nfs/dbraw/zinc/12/24/83/514122483.db2.gz GBGNJFZHGBRTQT-WFASDCNBSA-N 1 0 366.849 2.651 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCN(Cc2ccccn2)C1=O ZINC000449240670 514126666 /nfs/dbraw/zinc/12/66/66/514126666.db2.gz OHLGMOJPIUNIJB-CRAIPNDOSA-N 1 0 368.437 2.702 20 5 FFBDRO O=[N+]([O-])c1cccc2c(N3CCC(C[NH+]4CCOCC4)CC3)ccnc21 ZINC000432313223 514156938 /nfs/dbraw/zinc/15/69/38/514156938.db2.gz RCIJFSFSLFEOSC-UHFFFAOYSA-N 1 0 356.426 2.692 20 5 FFBDRO CC[N@H+](CCNC(=O)c1cc(OC)ccc1[N+](=O)[O-])CCC(F)(F)F ZINC000427260566 514165476 /nfs/dbraw/zinc/16/54/76/514165476.db2.gz NZPPWUUIHKBEGD-UHFFFAOYSA-N 1 0 363.336 2.608 20 5 FFBDRO CC[N@H+](CCNC(=O)c1cc([N+](=O)[O-])c(C)s1)CCC(F)(F)F ZINC000427284763 514172497 /nfs/dbraw/zinc/17/24/97/514172497.db2.gz PQPZJSOGOJSPCC-UHFFFAOYSA-N 1 0 353.366 2.969 20 5 FFBDRO [NH3+]CC[C@@H]1CCCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000423601316 514179064 /nfs/dbraw/zinc/17/90/64/514179064.db2.gz DJTDARBJLGTHIF-NSHDSACASA-N 1 0 357.863 2.928 20 5 FFBDRO C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000423617358 514185629 /nfs/dbraw/zinc/18/56/29/514185629.db2.gz SYXXQPHQFBMRNE-BDJLRTHQSA-N 1 0 353.397 2.691 20 5 FFBDRO COC[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000452106478 514194288 /nfs/dbraw/zinc/19/42/88/514194288.db2.gz QQXQKQVOUZDKGK-ZIAGYGMSSA-N 1 0 365.430 2.679 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)Nc1cc(C)nn1C1CC[NH+](C)CC1 ZINC000427381605 514198815 /nfs/dbraw/zinc/19/88/15/514198815.db2.gz IKVHBJVHOQGAQC-UHFFFAOYSA-N 1 0 373.413 2.627 20 5 FFBDRO CC(C)c1ccc(C(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cc1[N+](=O)[O-] ZINC000423694020 514203687 /nfs/dbraw/zinc/20/36/87/514203687.db2.gz FNOFVECSFFPXMO-AEFFLSMTSA-N 1 0 361.442 2.687 20 5 FFBDRO CC(C)[N@@H+]1CC[C@@H](N(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000452121271 514205926 /nfs/dbraw/zinc/20/59/26/514205926.db2.gz SGOZRZBKTKUHJG-CYBMUJFWSA-N 1 0 354.838 2.601 20 5 FFBDRO CC(C)c1ccc(C(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1[N+](=O)[O-] ZINC000423714282 514210184 /nfs/dbraw/zinc/21/01/84/514210184.db2.gz GEUOULDUUQKZJL-OAHLLOKOSA-N 1 0 361.442 2.546 20 5 FFBDRO COC[C@@]1(C(=O)OC)CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000449460450 514217595 /nfs/dbraw/zinc/21/75/95/514217595.db2.gz ZBDJNDZMFDMVBG-LJQANCHMSA-N 1 0 374.393 2.866 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000449640397 514276139 /nfs/dbraw/zinc/27/61/39/514276139.db2.gz AYYGAZLVJIPSTN-DMDPSCGWSA-N 1 0 355.822 2.649 20 5 FFBDRO CCOc1cc(NC(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)c([N+](=O)[O-])cc1OCC ZINC000414762087 514279522 /nfs/dbraw/zinc/27/95/22/514279522.db2.gz VJOFBRKLSAIJDT-RYUDHWBXSA-N 1 0 366.418 2.606 20 5 FFBDRO C[C@H]1CCCN(c2ccc(C(=O)N[C@@H](C[NH3+])C(C)(C)C)cc2[N+](=O)[O-])C1 ZINC000423954352 514305085 /nfs/dbraw/zinc/30/50/85/514305085.db2.gz RXLBLMQCMFXVLC-GUYCJALGSA-N 1 0 362.474 2.934 20 5 FFBDRO [NH3+]C[C@@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])C1CCCC1 ZINC000423963788 514311754 /nfs/dbraw/zinc/31/17/54/514311754.db2.gz PVQDUBSBXNUUQF-GFCCVEGCSA-N 1 0 357.863 2.974 20 5 FFBDRO CCOc1ccc(C(=O)NC[C@@H]([NH3+])c2ccccc2CC)cc1[N+](=O)[O-] ZINC000423974763 514317144 /nfs/dbraw/zinc/31/71/44/514317144.db2.gz LDWLNQXTQTWAEQ-MRXNPFEDSA-N 1 0 357.410 2.986 20 5 FFBDRO O=C(COc1ccc([N+](=O)[O-])cc1)Nc1nc(C2CC[NH2+]CC2)cs1 ZINC000423981256 514321645 /nfs/dbraw/zinc/32/16/45/514321645.db2.gz WBSCMWMJBSSORR-UHFFFAOYSA-N 1 0 362.411 2.536 20 5 FFBDRO [NH3+]CC[C@@H](NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)C(F)(F)F ZINC000449719287 514321696 /nfs/dbraw/zinc/32/16/96/514321696.db2.gz LDYNWNUOYIKKQB-LLVKDONJSA-N 1 0 374.344 2.728 20 5 FFBDRO C[C@@H]1CN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C[C@@]1(C)C[NH3+] ZINC000423987557 514324077 /nfs/dbraw/zinc/32/40/77/514324077.db2.gz WBVMHTKPUIIKMC-IVZQSRNASA-N 1 0 363.461 2.598 20 5 FFBDRO [NH3+][C@H]1CCCO[C@H]1C1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000424003355 514333101 /nfs/dbraw/zinc/33/31/01/514333101.db2.gz PPTOZTNZPMIFGK-HOTGVXAUSA-N 1 0 367.833 2.607 20 5 FFBDRO C[C@@H]1C[C@@H](C)N(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000424053113 514359765 /nfs/dbraw/zinc/35/97/65/514359765.db2.gz NWJBEPHBSKXYGI-FMKPAKJESA-N 1 0 360.458 2.640 20 5 FFBDRO Cc1c(NC(=O)[C@@H](C)[N@H+](C)C[C@@H](O)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000433060746 514366196 /nfs/dbraw/zinc/36/61/96/514366196.db2.gz MSIIRQIFBFVNKQ-WBVHZDCISA-N 1 0 371.437 2.766 20 5 FFBDRO C[C@@H]1C[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2Br)C[C@@H]1C[NH3+] ZINC000424066766 514366360 /nfs/dbraw/zinc/36/63/60/514366360.db2.gz GDTLOPCNCYNXQT-MXWKQRLJSA-N 1 0 370.247 2.803 20 5 FFBDRO C[C@]1(Cc2ccc(F)cc2)CCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000420921464 514377202 /nfs/dbraw/zinc/37/72/02/514377202.db2.gz CUROLWXDRHLUIB-LJQANCHMSA-N 1 0 359.401 2.993 20 5 FFBDRO CN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)[C@H]1C[NH+]2CCC1CC2 ZINC000433133234 514394469 /nfs/dbraw/zinc/39/44/69/514394469.db2.gz DMQJERRQFQGVIE-AWEZNQCLSA-N 1 0 368.231 2.524 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2nc(CN[C@H]3C[NH2+]CCC3(F)F)cs2)c1 ZINC000415003367 514398325 /nfs/dbraw/zinc/39/83/25/514398325.db2.gz OXRZCLUNILNZQS-ZDUSSCGKSA-N 1 0 354.382 2.805 20 5 FFBDRO C[C@H]1CC2(CN1C(=O)c1ccc(NC3CC3)c([N+](=O)[O-])c1)CC[NH2+]CC2 ZINC000424228139 514423833 /nfs/dbraw/zinc/42/38/33/514423833.db2.gz VWBMYPLYQIQAON-ZDUSSCGKSA-N 1 0 358.442 2.773 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N3CCCC[C@H]3C[NH3+])cc2[N+](=O)[O-])C1 ZINC000428519382 514488851 /nfs/dbraw/zinc/48/88/51/514488851.db2.gz CFGWSGPZGCHUFA-ZBFHGGJFSA-N 1 0 360.458 2.785 20 5 FFBDRO CC(C)c1ccc(C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)cc1[N+](=O)[O-] ZINC000439114364 514496237 /nfs/dbraw/zinc/49/62/37/514496237.db2.gz LTBMEZRHLXFTRV-UHFFFAOYSA-N 1 0 351.366 2.973 20 5 FFBDRO Cc1c(Br)c(N(C)CC2([NH+](C)C)CCC2)ncc1[N+](=O)[O-] ZINC000445660586 514503334 /nfs/dbraw/zinc/50/33/34/514503334.db2.gz TZEMDNQAWDPNPT-UHFFFAOYSA-N 1 0 357.252 2.981 20 5 FFBDRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000470622146 514553062 /nfs/dbraw/zinc/55/30/62/514553062.db2.gz FJKKNCPJIDFPGS-UHFFFAOYSA-N 1 0 364.471 2.979 20 5 FFBDRO CC(C)[C@@H](CNc1nccc2c1cccc2[N+](=O)[O-])[NH+]1CCN(C)CC1 ZINC000450242169 514560974 /nfs/dbraw/zinc/56/09/74/514560974.db2.gz KXFISCSNCSTYLO-GOSISDBHSA-N 1 0 357.458 2.827 20 5 FFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000458192862 514616278 /nfs/dbraw/zinc/61/62/78/514616278.db2.gz PGKUOJKALXYNMH-KBPBESRZSA-N 1 0 351.472 2.924 20 5 FFBDRO CN(C(=O)COc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475322271 514620080 /nfs/dbraw/zinc/62/00/80/514620080.db2.gz OKQSCELPLGVWNC-SFHVURJKSA-N 1 0 369.421 2.707 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C[NH+](C)C)c1ccc(F)cc1 ZINC000488889073 514621069 /nfs/dbraw/zinc/62/10/69/514621069.db2.gz JKYGNZMJXOJSBJ-MRXNPFEDSA-N 1 0 361.373 2.775 20 5 FFBDRO CC[NH+](CC)[C@@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)c1ccccc1 ZINC000502444120 514653142 /nfs/dbraw/zinc/65/31/42/514653142.db2.gz NRGWPKZWCKEJAN-HNNXBMFYSA-N 1 0 354.414 2.554 20 5 FFBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000461636525 514678985 /nfs/dbraw/zinc/67/89/85/514678985.db2.gz KNXYRHCVOPSRQW-LBPRGKRZSA-N 1 0 360.414 2.699 20 5 FFBDRO Cc1c(Br)cc(C(=O)NC2(C[NH+](C)C)CCC2)cc1[N+](=O)[O-] ZINC000466566417 514694196 /nfs/dbraw/zinc/69/41/96/514694196.db2.gz MQFCLYIVFFQBSV-UHFFFAOYSA-N 1 0 370.247 2.880 20 5 FFBDRO CCN(CCC[NH+](CC)CC)C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000508210328 514708500 /nfs/dbraw/zinc/70/85/00/514708500.db2.gz JBPVQMNZCCYDAC-UHFFFAOYSA-N 1 0 373.457 2.975 20 5 FFBDRO Cc1cc(NCCC[NH+]2CCN(C)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461732698 514711671 /nfs/dbraw/zinc/71/16/71/514711671.db2.gz RGFBWXKONQTPJY-UHFFFAOYSA-N 1 0 360.380 2.971 20 5 FFBDRO CS[C@H]1CN(CCCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1[NH+]1CCCC1 ZINC000484633173 514720526 /nfs/dbraw/zinc/72/05/26/514720526.db2.gz CRPBGFCFONKGCN-ROUUACIJSA-N 1 0 365.499 2.875 20 5 FFBDRO CC[NH+](CC)CCCNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000498121695 514770378 /nfs/dbraw/zinc/77/03/78/514770378.db2.gz UPNRYXULJCJWSP-UHFFFAOYSA-N 1 0 356.854 2.822 20 5 FFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@](C)(O)C(=O)OC(C)(C)C ZINC000484747507 514781120 /nfs/dbraw/zinc/78/11/20/514781120.db2.gz AJCAWMPQTMAKDE-SCLBCKFNSA-N 1 0 352.431 2.598 20 5 FFBDRO Cc1cc(N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461948224 514799679 /nfs/dbraw/zinc/79/96/79/514799679.db2.gz MHGQEEDSDGGBPY-HUUCEWRRSA-N 1 0 359.348 2.831 20 5 FFBDRO CC[C@@H](O)C[NH+]1CCN(c2cc(C)c([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000461947009 514801065 /nfs/dbraw/zinc/80/10/65/514801065.db2.gz IDAGTVCFFFSTAY-GFCCVEGCSA-N 1 0 361.364 2.815 20 5 FFBDRO Cc1c([C@H](C)[NH2+]CCCN2C(=O)NC3(CCCC3)C2=O)cccc1[N+](=O)[O-] ZINC000480170703 514862486 /nfs/dbraw/zinc/86/24/86/514862486.db2.gz QZSILUWENHMKML-AWEZNQCLSA-N 1 0 374.441 2.809 20 5 FFBDRO COc1cc(C[NH2+][C@H](C)CC(N)=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000498372099 514887080 /nfs/dbraw/zinc/88/70/80/514887080.db2.gz HOJLSLQBUJTMOA-CYBMUJFWSA-N 1 0 373.409 2.536 20 5 FFBDRO C[C@H]1C[NH+](CC2CCN(c3ccc([N+](=O)[O-])c(N)c3F)CC2)C[C@H](C)O1 ZINC000476095116 514914230 /nfs/dbraw/zinc/91/42/30/514914230.db2.gz JWTHNKSJKXOCEH-STQMWFEESA-N 1 0 366.437 2.642 20 5 FFBDRO C[C@H]1CC[N@H+](C)CCN1C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000498476600 514920949 /nfs/dbraw/zinc/92/09/49/514920949.db2.gz WKEMHZHODDTODW-LBPRGKRZSA-N 1 0 354.838 2.526 20 5 FFBDRO COCC[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C[C@H]1CC=CCC1 ZINC000485142079 514933335 /nfs/dbraw/zinc/93/33/35/514933335.db2.gz METYKNLEEYISIE-INIZCTEOSA-N 1 0 373.453 2.789 20 5 FFBDRO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000467217808 514942631 /nfs/dbraw/zinc/94/26/31/514942631.db2.gz OOCBKCMOQGXVQZ-QWHCGFSZSA-N 1 0 352.822 2.674 20 5 FFBDRO COc1ccc(C[NH2+]C[C@@H](CO)Cc2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000480459955 514966697 /nfs/dbraw/zinc/96/66/97/514966697.db2.gz JDZPYWMCOAEIAV-AWEZNQCLSA-N 1 0 366.364 2.822 20 5 FFBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C[C@H]1C ZINC000498567940 514973508 /nfs/dbraw/zinc/97/35/08/514973508.db2.gz XIRNHENQJZLUNZ-HUUCEWRRSA-N 1 0 360.458 2.750 20 5 FFBDRO O=[N+]([O-])c1c(N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)nc2sccn21 ZINC000480565590 514999350 /nfs/dbraw/zinc/99/93/50/514999350.db2.gz VZJGLUBWXGSHHH-GASCZTMLSA-N 1 0 369.450 2.872 20 5 FFBDRO COc1c(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000476334808 515007612 /nfs/dbraw/zinc/00/76/12/515007612.db2.gz GDILTRBPXWVRIN-MRXNPFEDSA-N 1 0 369.421 2.950 20 5 FFBDRO C[C@@H](CO)[N@@H+]1CCCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC1 ZINC000485407074 515028213 /nfs/dbraw/zinc/02/82/13/515028213.db2.gz MKLWUJFQHHYGCR-AWEZNQCLSA-N 1 0 374.416 2.689 20 5 FFBDRO C[C@H]1CC[N@H+](C)CCN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000498710591 515035752 /nfs/dbraw/zinc/03/57/52/515035752.db2.gz PYCCSPNIPJWSTG-INIZCTEOSA-N 1 0 363.461 2.707 20 5 FFBDRO Cc1c(NC(=O)CC[NH2+][C@@H]2CCC[C@H]2OC(F)F)cccc1[N+](=O)[O-] ZINC000503514703 515062559 /nfs/dbraw/zinc/06/25/59/515062559.db2.gz ATFYYRUZRPKIMU-TZMCWYRMSA-N 1 0 357.357 2.982 20 5 FFBDRO C[C@@H]([NH2+]CCCCN1C(=O)NC2(CCCC2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000480767033 515075257 /nfs/dbraw/zinc/07/52/57/515075257.db2.gz SDTZKOPRHUTYQO-CQSZACIVSA-N 1 0 374.441 2.890 20 5 FFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]Cc1cnc(N2CCOCC2)c(F)c1 ZINC000462535372 515110663 /nfs/dbraw/zinc/11/06/63/515110663.db2.gz BKISDVNWDHLPQZ-HYXAFXHYSA-N 1 0 372.400 2.769 20 5 FFBDRO COc1ccc(C(=O)CC[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000509359882 515140923 /nfs/dbraw/zinc/14/09/23/515140923.db2.gz UEZJKXZRFXZRAE-HNNXBMFYSA-N 1 0 370.409 2.758 20 5 FFBDRO COc1cccc(C[N@H+](CCn2cc([N+](=O)[O-])cn2)C2CCC(O)CC2)c1 ZINC000472245819 515182677 /nfs/dbraw/zinc/18/26/77/515182677.db2.gz XAFAFUSZJWLQNB-UHFFFAOYSA-N 1 0 374.441 2.606 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)CC[NH+](C(C)C)C(C)C ZINC000503997056 515192310 /nfs/dbraw/zinc/19/23/10/515192310.db2.gz ADWMUKVFDPFMGJ-UHFFFAOYSA-N 1 0 357.476 2.643 20 5 FFBDRO CC[C@@H](C)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000456536883 515241267 /nfs/dbraw/zinc/24/12/67/515241267.db2.gz VRESPYWHEQNBRO-LLVKDONJSA-N 1 0 370.247 2.914 20 5 FFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCc2cn3ccccc3n2)n1 ZINC000472604618 515334284 /nfs/dbraw/zinc/33/42/84/515334284.db2.gz WEQGFHYQUJTJLB-CVEARBPZSA-N 1 0 354.414 2.755 20 5 FFBDRO CC[N@@H+]1CCC[C@H](CNC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])C1 ZINC000486102467 515334812 /nfs/dbraw/zinc/33/48/12/515334812.db2.gz DJLYGFJHXBQMHQ-GFCCVEGCSA-N 1 0 367.471 2.787 20 5 FFBDRO Cc1c(CNC(=O)c2ccccc2OCC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000481464679 515337196 /nfs/dbraw/zinc/33/71/96/515337196.db2.gz KDTAVWJKTNQIBF-UHFFFAOYSA-N 1 0 357.410 2.774 20 5 FFBDRO CC(C)C[NH+]1CCC(NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000486135387 515348247 /nfs/dbraw/zinc/34/82/47/515348247.db2.gz HGEJQRQLCPVIOM-UHFFFAOYSA-N 1 0 355.385 2.652 20 5 FFBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463135235 515379072 /nfs/dbraw/zinc/37/90/72/515379072.db2.gz WBYQMCCWWMJFQQ-RYUDHWBXSA-N 1 0 357.332 2.970 20 5 FFBDRO CCC[NH+]1CCN(Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])CC1 ZINC000491207569 515396633 /nfs/dbraw/zinc/39/66/33/515396633.db2.gz YOVHABYGAMJECB-UHFFFAOYSA-N 1 0 373.400 2.775 20 5 FFBDRO CCC[N@@H+]1CC[C@@H](CNC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000481717006 515435856 /nfs/dbraw/zinc/43/58/56/515435856.db2.gz UXDCLNATUGGKSV-ZDUSSCGKSA-N 1 0 368.865 2.822 20 5 FFBDRO CC[N@H+](CCNc1ccc([N+](=O)[O-])cc1C(=O)NC)CCC(F)(F)F ZINC000491866233 515478884 /nfs/dbraw/zinc/47/88/84/515478884.db2.gz HXSXRHKABURXQJ-UHFFFAOYSA-N 1 0 362.352 2.641 20 5 FFBDRO COc1ccccc1[C@@H]1CC[C@H](C)C[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000510258617 515486530 /nfs/dbraw/zinc/48/65/30/515486530.db2.gz ZXOFNIBEKBOKLL-ZVZYQTTQSA-N 1 0 374.441 2.634 20 5 FFBDRO CN(CC[N@H+](C)C1CCCCC1)C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000463481404 515519073 /nfs/dbraw/zinc/51/90/73/515519073.db2.gz DDFXAXFDFXBHRC-UHFFFAOYSA-N 1 0 362.474 2.754 20 5 FFBDRO Cc1c(Br)cc(C(=O)N2CC[N@@H+](C)CC[C@H]2C)cc1[N+](=O)[O-] ZINC000510472446 515549164 /nfs/dbraw/zinc/54/91/64/515549164.db2.gz GDCPSHZZXRPMDI-SNVBAGLBSA-N 1 0 370.247 2.832 20 5 FFBDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000463621319 515561869 /nfs/dbraw/zinc/56/18/69/515561869.db2.gz FAFGTROFNKQWHQ-MRXNPFEDSA-N 1 0 362.474 2.802 20 5 FFBDRO CCCN(CC[NH+]1CCCCC1)S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000510516724 515564023 /nfs/dbraw/zinc/56/40/23/515564023.db2.gz FDSNYPVQUPQPBH-UHFFFAOYSA-N 1 0 369.487 2.790 20 5 FFBDRO CCc1n[nH]c(C(=O)N[C@H](C)[C@@H](c2ccccc2C)[NH+](C)C)c1[N+](=O)[O-] ZINC000510526482 515569946 /nfs/dbraw/zinc/56/99/46/515569946.db2.gz STLIDIBYAUQEKH-WBMJQRKESA-N 1 0 359.430 2.610 20 5 FFBDRO CC(C)[C@@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1(CO)CCCC1 ZINC000459532234 515626810 /nfs/dbraw/zinc/62/68/10/515626810.db2.gz OQSPBWWDRLGCMH-FUHWJXTLSA-N 1 0 366.458 2.501 20 5 FFBDRO C[NH+](C)CCN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)C1CC1 ZINC000505681000 515632655 /nfs/dbraw/zinc/63/26/55/515632655.db2.gz LMRYKVKZBOXYLS-UHFFFAOYSA-N 1 0 356.220 2.524 20 5 FFBDRO COc1cc(C[NH2+]C[C@H]2CCC[C@@H](O)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000493600550 515646162 /nfs/dbraw/zinc/64/61/62/515646162.db2.gz CPUPONBGYZVQRX-WCQYABFASA-N 1 0 374.384 2.888 20 5 FFBDRO O=c1cc2c(n[nH]1)CC[N@@H+](Cc1ccc(-c3ccc([N+](=O)[O-])cc3)o1)C2 ZINC000482318288 515649052 /nfs/dbraw/zinc/64/90/52/515649052.db2.gz SHSWRXXSOBKKNX-UHFFFAOYSA-N 1 0 352.350 2.909 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC3(CCCC3)[C@H]2c2ccccc2)c1 ZINC000459568216 515657143 /nfs/dbraw/zinc/65/71/43/515657143.db2.gz BDYUYHIEOBTUQP-ZWKOTPCHSA-N 1 0 356.426 2.770 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000510789465 515670104 /nfs/dbraw/zinc/67/01/04/515670104.db2.gz DWLDVOGFQMKGEK-UHFFFAOYSA-N 1 0 363.483 2.995 20 5 FFBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000486962634 515700555 /nfs/dbraw/zinc/70/05/55/515700555.db2.gz GTHQIDKWQARGOS-LSDHHAIUSA-N 1 0 366.849 2.717 20 5 FFBDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2cc([N+](=O)[O-])nn2C)cc1 ZINC000478117439 515706095 /nfs/dbraw/zinc/70/60/95/515706095.db2.gz YOKGEMLRUHTRNA-ZDUSSCGKSA-N 1 0 357.414 2.955 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N3C[C@@H](C)[NH2+]C[C@H]3C)cc2[N+](=O)[O-])C1 ZINC000505880602 515709125 /nfs/dbraw/zinc/70/91/25/515709125.db2.gz WGHCUIOPMJUPIU-RBSFLKMASA-N 1 0 360.458 2.654 20 5 FFBDRO COc1ccc(NC(=O)CN(C)CC[NH+](C(C)C)C(C)C)c([N+](=O)[O-])c1 ZINC000505893779 515714731 /nfs/dbraw/zinc/71/47/31/515714731.db2.gz BCWJBPQLSMMBPM-UHFFFAOYSA-N 1 0 366.462 2.593 20 5 FFBDRO C[C@H]1[C@@H](NC(=O)CNc2ccccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000494061266 515724552 /nfs/dbraw/zinc/72/45/52/515724552.db2.gz VKMFQDBXLXJQJW-RDJZCZTQSA-N 1 0 368.437 2.786 20 5 FFBDRO C[C@H]([NH2+]C1(CNC(=O)c2cc([N+](=O)[O-])c[nH]2)CCOCC1)c1ccccc1 ZINC000500466977 515725850 /nfs/dbraw/zinc/72/58/50/515725850.db2.gz SJLIWRIIIYYIIG-AWEZNQCLSA-N 1 0 372.425 2.553 20 5 FFBDRO COc1cccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2C)[NH+](C)C)c1 ZINC000511092298 515776765 /nfs/dbraw/zinc/77/67/65/515776765.db2.gz PUQFDERRXYHFJT-GOSISDBHSA-N 1 0 357.410 2.945 20 5 FFBDRO C[NH+](C)CCOc1cccc(NC(=O)NCCc2ccc([N+](=O)[O-])cc2)c1 ZINC000506261589 515831006 /nfs/dbraw/zinc/83/10/06/515831006.db2.gz IMZWEMDHYITJTM-UHFFFAOYSA-N 1 0 372.425 2.899 20 5 FFBDRO Cn1cc(C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000487464073 515867992 /nfs/dbraw/zinc/86/79/92/515867992.db2.gz OEXCRXKCXOABFI-GOEBONIOSA-N 1 0 371.441 2.598 20 5 FFBDRO O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000482986344 515872432 /nfs/dbraw/zinc/87/24/32/515872432.db2.gz CHGHLKXKZOVCDQ-HNNXBMFYSA-N 1 0 360.458 2.778 20 5 FFBDRO O=[N+]([O-])c1cccc(F)c1CN1CCC(CC[NH+]2CCOCC2)CC1 ZINC000506585284 515923482 /nfs/dbraw/zinc/92/34/82/515923482.db2.gz QVFOWSGSDOUUSS-UHFFFAOYSA-N 1 0 351.422 2.668 20 5 FFBDRO COc1cc(C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000478718134 515940786 /nfs/dbraw/zinc/94/07/86/515940786.db2.gz AWFLGCMRDCYZSJ-QWHCGFSZSA-N 1 0 365.430 2.605 20 5 FFBDRO COc1c(C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000474400266 516031283 /nfs/dbraw/zinc/03/12/83/516031283.db2.gz SHEFGSLWWGAPIX-OAHLLOKOSA-N 1 0 357.410 2.506 20 5 FFBDRO CC1(C)C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@]2(CCCOC2)O1 ZINC000483360693 516049162 /nfs/dbraw/zinc/04/91/62/516049162.db2.gz WTPOTTUIZOECDC-SFHVURJKSA-N 1 0 350.415 2.634 20 5 FFBDRO COc1ccc(OCC[N@@H+]2CC[C@H](C(=O)OC(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000495084349 516059804 /nfs/dbraw/zinc/05/98/04/516059804.db2.gz MEZHHKNKRLEEGX-ZDUSSCGKSA-N 1 0 366.414 2.646 20 5 FFBDRO CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC000460208847 516068174 /nfs/dbraw/zinc/06/81/74/516068174.db2.gz HPXRHCGOIZWVCR-KBPBESRZSA-N 1 0 358.446 2.792 20 5 FFBDRO C[C@H]1C[NH+](CCCCNc2c3ccccc3ncc2[N+](=O)[O-])C[C@H](C)O1 ZINC000488112780 516120748 /nfs/dbraw/zinc/12/07/48/516120748.db2.gz IJXLEUAWJUFKJQ-GJZGRUSLSA-N 1 0 358.442 2.866 20 5 FFBDRO O=[N+]([O-])c1cnc2ccccc2c1NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000488116224 516122764 /nfs/dbraw/zinc/12/27/64/516122764.db2.gz NOSQGGLAEAIBBD-IEBWSBKVSA-N 1 0 370.453 2.745 20 5 FFBDRO C[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C[C@@H]1OCCc2ccccc21 ZINC000507243643 516138357 /nfs/dbraw/zinc/13/83/57/516138357.db2.gz RPWMGTOBIXOGDK-XLIONFOSSA-N 1 0 372.421 2.580 20 5 FFBDRO C[NH+](C)C1(CNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)Cc2ccccc2C1 ZINC000470140171 516138692 /nfs/dbraw/zinc/13/86/92/516138692.db2.gz DGVLZMYKACEMKJ-UHFFFAOYSA-N 1 0 372.400 2.955 20 5 FFBDRO Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000483634792 516152403 /nfs/dbraw/zinc/15/24/03/516152403.db2.gz HXNKWSDJVHNVRQ-UHFFFAOYSA-N 1 0 374.441 2.958 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C[C@@H]1C ZINC000495473972 516174439 /nfs/dbraw/zinc/17/44/39/516174439.db2.gz KSTISRNWMBNZTH-GJZGRUSLSA-N 1 0 371.441 2.725 20 5 FFBDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000465603956 516207701 /nfs/dbraw/zinc/20/77/01/516207701.db2.gz PWWCXPCRJIYKBX-MRXNPFEDSA-N 1 0 362.474 2.949 20 5 FFBDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3cccc(-n4cccn4)c3)CC2)n1 ZINC000488717395 516293218 /nfs/dbraw/zinc/29/32/18/516293218.db2.gz SIOOGMAEJJQMJG-UHFFFAOYSA-N 1 0 352.398 2.814 20 5 FFBDRO CC(C)c1ccc(C[C@@H]2CC[N@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000460984252 516297078 /nfs/dbraw/zinc/29/70/78/516297078.db2.gz VNBDAOQICXQLJM-FXAWDEMLSA-N 1 0 372.469 2.840 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000488748220 516299995 /nfs/dbraw/zinc/29/99/95/516299995.db2.gz KAQGBVBDNNWCTE-WOSRLPQWSA-N 1 0 361.442 2.856 20 5 FFBDRO C[N@@H+]1C[C@@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)[C@@H](c2ccccc2)C1 ZINC000497412342 516320803 /nfs/dbraw/zinc/32/08/03/516320803.db2.gz ZFBQZIMHDYGYCF-NVXWUHKLSA-N 1 0 364.405 2.904 20 5 FFBDRO CC[NH+](CC)Cc1ccccc1CNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000535430158 516353447 /nfs/dbraw/zinc/35/34/47/516353447.db2.gz RHNKBFRZONCMKQ-UHFFFAOYSA-N 1 0 354.414 2.513 20 5 FFBDRO CC(C)[N@H+](C)CC1CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000535432525 516353584 /nfs/dbraw/zinc/35/35/84/516353584.db2.gz ZHCZQTGFGOVPSA-UHFFFAOYSA-N 1 0 362.474 2.899 20 5 FFBDRO O=c1[nH]c(NC[C@@H]2CCC[N@@H+]2C2CCCCC2)nc2ccc([N+](=O)[O-])cc21 ZINC000557670465 516372249 /nfs/dbraw/zinc/37/22/49/516372249.db2.gz BFXYSCNBADDXFY-HNNXBMFYSA-N 1 0 371.441 2.875 20 5 FFBDRO COc1cc(CNC[C@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000543705692 516380167 /nfs/dbraw/zinc/38/01/67/516380167.db2.gz USQIYJDINMMJMV-GFCCVEGCSA-N 1 0 373.400 2.679 20 5 FFBDRO Cn1cc(C[NH2+]Cc2cnn3ccccc23)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000512874374 516396386 /nfs/dbraw/zinc/39/63/86/516396386.db2.gz NEXAAQHHJZVCNK-UHFFFAOYSA-N 1 0 362.393 2.933 20 5 FFBDRO CCCC[N@@H+]1CCCC[C@@H]1CNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000561153976 516412555 /nfs/dbraw/zinc/41/25/55/516412555.db2.gz LUDRSZZYRSJCMM-CQSZACIVSA-N 1 0 359.430 2.732 20 5 FFBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCCc2occc2C1 ZINC000517777144 516449466 /nfs/dbraw/zinc/44/94/66/516449466.db2.gz CBQQRMBPVUDDGZ-UHFFFAOYSA-N 1 0 357.366 2.934 20 5 FFBDRO Cc1cccc(NCC[NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)n1 ZINC000540220217 516481276 /nfs/dbraw/zinc/48/12/76/516481276.db2.gz LDZQCZUAGSXOBL-CQSZACIVSA-N 1 0 357.414 2.717 20 5 FFBDRO CC[NH+](CC)CCCC1CCN(C(=O)c2[nH]nc(C)c2[N+](=O)[O-])CC1 ZINC000543949396 516510492 /nfs/dbraw/zinc/51/04/92/516510492.db2.gz ICXLBMAEAVHQNM-UHFFFAOYSA-N 1 0 351.451 2.601 20 5 FFBDRO COc1cc(C[NH2+][C@@H](C)C[C@H](C)O)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000543949786 516510520 /nfs/dbraw/zinc/51/05/20/516510520.db2.gz XMWNZJHRURTWKK-UWVGGRQHSA-N 1 0 366.336 2.794 20 5 FFBDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H](C)C1 ZINC000561347282 516535565 /nfs/dbraw/zinc/53/55/65/516535565.db2.gz IDPLMKXOSNMIJX-DCGLDWPTSA-N 1 0 365.861 2.979 20 5 FFBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C[C@@H](C)C1 ZINC000558027891 516559746 /nfs/dbraw/zinc/55/97/46/516559746.db2.gz XFFMFBWSWPJWAP-KHYOSLBOSA-N 1 0 370.453 2.738 20 5 FFBDRO CC(C)[N@H+](C)CCNC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000523909704 516605933 /nfs/dbraw/zinc/60/59/33/516605933.db2.gz HFIXVMSWHMGNQL-HNNXBMFYSA-N 1 0 362.474 2.901 20 5 FFBDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000524485596 516734130 /nfs/dbraw/zinc/73/41/30/516734130.db2.gz XESJJWIULRGPPB-VXGBXAGGSA-N 1 0 366.437 2.802 20 5 FFBDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1 ZINC000561746992 516746474 /nfs/dbraw/zinc/74/64/74/516746474.db2.gz QTPOWGAQKYPWDL-BXWFABGCSA-N 1 0 374.485 2.976 20 5 FFBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1 ZINC000561762604 516756780 /nfs/dbraw/zinc/75/67/80/516756780.db2.gz PBHBWZFGSKDJHQ-VBQJREDUSA-N 1 0 363.483 2.876 20 5 FFBDRO O=C(c1cnn([C@H]2CCC[NH2+]C2)c1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000518776433 516768405 /nfs/dbraw/zinc/76/84/05/516768405.db2.gz BKTLXKJDDDAKOL-SFHVURJKSA-N 1 0 369.425 2.521 20 5 FFBDRO COc1ccccc1[C@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)[NH+]1CCCC1 ZINC000532142253 516822999 /nfs/dbraw/zinc/82/29/99/516822999.db2.gz QDBLJVNASXWMPO-KRWDZBQOSA-N 1 0 370.409 2.565 20 5 FFBDRO C[C@@H]1CC[N@H+](CCNC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)C1 ZINC000524774910 516825600 /nfs/dbraw/zinc/82/56/00/516825600.db2.gz ISKREEUHUPHXHP-MRXNPFEDSA-N 1 0 374.485 2.903 20 5 FFBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000558596186 516828378 /nfs/dbraw/zinc/82/83/78/516828378.db2.gz JEGNBSLDVVCTBW-IRXDYDNUSA-N 1 0 368.437 2.527 20 5 FFBDRO CCOc1cc(CN2CCC([N@@H+]3CCOC[C@H]3C)CC2)ccc1[N+](=O)[O-] ZINC000518995793 516849621 /nfs/dbraw/zinc/84/96/21/516849621.db2.gz IYGUWBZKTBYZSC-OAHLLOKOSA-N 1 0 363.458 2.679 20 5 FFBDRO COc1cc(OC)c(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000561971658 516855422 /nfs/dbraw/zinc/85/54/22/516855422.db2.gz PLYHWXPJXUVDGR-UHFFFAOYSA-N 1 0 361.398 2.586 20 5 FFBDRO Cc1ccc(NCc2cccc(C(=O)NCC[NH+](C)C)c2)c([N+](=O)[O-])c1 ZINC000514225746 516911707 /nfs/dbraw/zinc/91/17/07/516911707.db2.gz PHEOXJCTMWAWGV-UHFFFAOYSA-N 1 0 356.426 2.807 20 5 FFBDRO O=C(Cc1ccccc1[N+](=O)[O-])N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000514498713 516933371 /nfs/dbraw/zinc/93/33/71/516933371.db2.gz YTKXMOUMVLCQQO-SFHVURJKSA-N 1 0 353.422 2.918 20 5 FFBDRO CC[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)[N@@H+]1CCc2ccccc2C1 ZINC000532388408 516947091 /nfs/dbraw/zinc/94/70/91/516947091.db2.gz YUSYVRDKAUGTGX-INIZCTEOSA-N 1 0 354.410 2.557 20 5 FFBDRO COc1ccc(C[NH+](C)C)cc1NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000525191617 516953552 /nfs/dbraw/zinc/95/35/52/516953552.db2.gz WKJRJLSNYXQIDU-UHFFFAOYSA-N 1 0 372.425 2.740 20 5 FFBDRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)c1cccc(OC)c1 ZINC000532397581 516953608 /nfs/dbraw/zinc/95/36/08/516953608.db2.gz WIELCOHQQNNOMJ-SFHVURJKSA-N 1 0 372.425 2.811 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCC(=O)N(C)[C@H]1c1ccnn1C ZINC000551935163 516970209 /nfs/dbraw/zinc/97/02/09/516970209.db2.gz MAJYEUANLWLJIZ-VVFCZOMOSA-N 1 0 371.441 2.649 20 5 FFBDRO Cc1c(NC(=O)[C@H](C)N2CC[C@@]3(C2)CCC[N@H+](C)C3)cccc1[N+](=O)[O-] ZINC000555598146 517003810 /nfs/dbraw/zinc/00/38/10/517003810.db2.gz PBWDGTYUBDKFDD-KXBFYZLASA-N 1 0 360.458 2.648 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]Cc1ccc(Cl)cc1F ZINC000514788359 517056433 /nfs/dbraw/zinc/05/64/33/517056433.db2.gz OJLIHPGNPVBUOV-ZDUSSCGKSA-N 1 0 354.765 2.917 20 5 FFBDRO COc1cc(C(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)cc([N+](=O)[O-])c1OC ZINC000525576143 517078994 /nfs/dbraw/zinc/07/89/94/517078994.db2.gz OBQVQIGRKBLSLY-BETUJISGSA-N 1 0 365.430 2.605 20 5 FFBDRO COc1ccccc1CCNC(=O)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000562438233 517109053 /nfs/dbraw/zinc/10/90/53/517109053.db2.gz WEMPZSPTLSXGKV-HNNXBMFYSA-N 1 0 371.437 2.921 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC=C(c3ccccn3)C2)c1 ZINC000562443025 517113599 /nfs/dbraw/zinc/11/35/99/517113599.db2.gz CKOYHBUSAFNGJX-QGZVFWFLSA-N 1 0 355.394 2.519 20 5 FFBDRO CC[C@H]([NH2+]C[C@H](N1CCOCC1)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000514956324 517143241 /nfs/dbraw/zinc/14/32/41/517143241.db2.gz CNGLEFLHOZKMST-GJZGRUSLSA-N 1 0 361.364 2.899 20 5 FFBDRO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCC(=O)N2 ZINC000552238981 517157023 /nfs/dbraw/zinc/15/70/23/517157023.db2.gz YNPWIOAZSSFNLB-LBPRGKRZSA-N 1 0 357.366 2.655 20 5 FFBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]CC1(N2CCOCC2)CC1 ZINC000515052985 517190214 /nfs/dbraw/zinc/19/02/14/517190214.db2.gz YJYFROUXVBLDSU-WMZOPIPTSA-N 1 0 359.470 2.760 20 5 FFBDRO O=C(CC[NH2+]C1CCN(c2ccccn2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000548761166 517196233 /nfs/dbraw/zinc/19/62/33/517196233.db2.gz KXZQQDHAUUWODG-UHFFFAOYSA-N 1 0 369.425 2.577 20 5 FFBDRO COc1ccc(-c2ccc(C[NH2+][C@H](C)CN3CCCC3=O)o2)c([N+](=O)[O-])c1 ZINC000520204995 517299918 /nfs/dbraw/zinc/29/99/18/517299918.db2.gz OQIHFPWNFGIEDT-CYBMUJFWSA-N 1 0 373.409 2.964 20 5 FFBDRO CCc1ccc([C@H](CO)[NH2+]CCOc2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC000541980835 517319543 /nfs/dbraw/zinc/31/95/43/517319543.db2.gz HUWLLACVHPNHAX-KRWDZBQOSA-N 1 0 360.410 2.868 20 5 FFBDRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000520254720 517320502 /nfs/dbraw/zinc/32/05/02/517320502.db2.gz LKQODJOSSFNDBG-GJZGRUSLSA-N 1 0 364.446 2.536 20 5 FFBDRO O=C(c1cc(NC[C@@H]2CC[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000559691113 517376386 /nfs/dbraw/zinc/37/63/86/517376386.db2.gz UIHDHEFMFZHJPY-AWEZNQCLSA-N 1 0 358.442 2.727 20 5 FFBDRO CC[N@H+](CCC1CCN(C(=O)c2[nH]nc(C)c2[N+](=O)[O-])CC1)CC(C)C ZINC000538032775 517445115 /nfs/dbraw/zinc/44/51/15/517445115.db2.gz RLDWBHHEHDRVMV-UHFFFAOYSA-N 1 0 365.478 2.847 20 5 FFBDRO Cc1ccc(C(C)(C)[NH2+]CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cn1 ZINC000546102780 517544246 /nfs/dbraw/zinc/54/42/46/517544246.db2.gz LMFMDVJCRFRVEN-UHFFFAOYSA-N 1 0 354.410 2.712 20 5 FFBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]CCS(=O)(=O)c2ccccc2)cc1 ZINC000516050548 517547088 /nfs/dbraw/zinc/54/70/88/517547088.db2.gz VWPCHMUBMGDKEG-UHFFFAOYSA-N 1 0 362.451 2.981 20 5 FFBDRO COc1ccc(C[C@](C)([NH3+])CNc2nc3sccn3c2[N+](=O)[O-])cc1 ZINC000533631538 517550953 /nfs/dbraw/zinc/55/09/53/517550953.db2.gz OTWICKKAFNGOLP-INIZCTEOSA-N 1 0 361.427 2.685 20 5 FFBDRO Cc1cc(C)cc(OCC[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000562987596 517560619 /nfs/dbraw/zinc/56/06/19/517560619.db2.gz YPTHORTWGAADHE-KRWDZBQOSA-N 1 0 360.410 2.620 20 5 FFBDRO C[C@H](C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)Cc1cccs1 ZINC000562993482 517566904 /nfs/dbraw/zinc/56/69/04/517566904.db2.gz HFWNYTAWHMASSU-DZGCQCFKSA-N 1 0 350.440 2.864 20 5 FFBDRO COc1ccc(C[NH+](C)C)cc1NC(=O)c1cccc([N+](=O)[O-])c1OC ZINC000527230224 517578421 /nfs/dbraw/zinc/57/84/21/517578421.db2.gz KIUKUMUHFXJTNV-UHFFFAOYSA-N 1 0 359.382 2.926 20 5 FFBDRO Cc1cccc(N[C@H](C)C[NH+]2CCN(c3ccccn3)CC2)c1[N+](=O)[O-] ZINC000549525940 517602047 /nfs/dbraw/zinc/60/20/47/517602047.db2.gz BZDIHTYOBJJTBW-MRXNPFEDSA-N 1 0 355.442 2.921 20 5 FFBDRO COc1cncc(/C=C/CC[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1 ZINC000563059414 517622226 /nfs/dbraw/zinc/62/22/26/517622226.db2.gz UHKOXWONTKULTE-DUXPYHPUSA-N 1 0 369.425 2.619 20 5 FFBDRO Cc1ccc(O[C@H](C)C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000516276581 517646970 /nfs/dbraw/zinc/64/69/70/517646970.db2.gz FGCQJSFPCBXCHT-WBVHZDCISA-N 1 0 360.410 2.700 20 5 FFBDRO CNc1ccc(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000534020777 517710175 /nfs/dbraw/zinc/71/01/75/517710175.db2.gz SSKZULORQKJTJW-AEFFLSMTSA-N 1 0 354.410 2.812 20 5 FFBDRO Cc1ccccc1[C@H]([C@@H](C)Nc1nccc(C(N)=O)c1[N+](=O)[O-])[NH+](C)C ZINC000516520873 517722047 /nfs/dbraw/zinc/72/20/47/517722047.db2.gz VRAVGXJJVJJRSQ-DOMZBBRYSA-N 1 0 357.414 2.500 20 5 FFBDRO CCN(C(=O)c1[nH]nc(C)c1[N+](=O)[O-])[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000521477128 517747581 /nfs/dbraw/zinc/74/75/81/517747581.db2.gz SDHYWDXZIUJTIZ-ZBFHGGJFSA-N 1 0 371.441 2.924 20 5 FFBDRO Cc1[nH+]c2c(n1[C@@H]1CCN(c3cccc(C(N)=O)c3[N+](=O)[O-])C1)CCCC2 ZINC000553540866 517770341 /nfs/dbraw/zinc/77/03/41/517770341.db2.gz YDQFXZLFVXLEJH-CYBMUJFWSA-N 1 0 369.425 2.529 20 5 FFBDRO Cn1cc(C[N@@H+]2CCC[C@@H]3COCC[C@H]32)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000538791495 517781258 /nfs/dbraw/zinc/78/12/58/517781258.db2.gz ADRPXEZOQUWHEJ-CRAIPNDOSA-N 1 0 356.426 2.996 20 5 FFBDRO C[C@@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000546660697 517784347 /nfs/dbraw/zinc/78/43/47/517784347.db2.gz RYHSQVODHMVJTL-AWEZNQCLSA-N 1 0 367.405 2.802 20 5 FFBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000542889142 517800638 /nfs/dbraw/zinc/80/06/38/517800638.db2.gz OPHFZPWGFABZEV-QWRGUYRKSA-N 1 0 357.357 2.751 20 5 FFBDRO CCC[C@@H]1CN(Cc2c([N+](=O)[O-])ncn2C)CC[N@@H+]1Cc1ccccc1 ZINC000553622445 517817083 /nfs/dbraw/zinc/81/70/83/517817083.db2.gz WJXCQMZMRMKGSA-QGZVFWFLSA-N 1 0 357.458 2.815 20 5 FFBDRO COCCOC1(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)CCOCC1 ZINC000516719379 517819815 /nfs/dbraw/zinc/81/98/15/517819815.db2.gz UZWOWCNLRYEVQL-HNNXBMFYSA-N 1 0 352.431 2.766 20 5 FFBDRO COc1ccc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000542962140 517839956 /nfs/dbraw/zinc/83/99/56/517839956.db2.gz OFYQIUGISBLUBJ-INIZCTEOSA-N 1 0 370.409 2.999 20 5 FFBDRO Cc1c(CNC(=O)[C@@H]([NH3+])Cc2c[nH]c3ccccc23)cccc1[N+](=O)[O-] ZINC000521775883 517852478 /nfs/dbraw/zinc/85/24/78/517852478.db2.gz DOCWROSVZPSBTO-INIZCTEOSA-N 1 0 352.394 2.571 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+]2CCC(Cc3cccnc3)CC2)c1 ZINC000538942856 517856748 /nfs/dbraw/zinc/85/67/48/517856748.db2.gz HONJKCSNKSHZAR-LJQANCHMSA-N 1 0 371.437 2.684 20 5 FFBDRO CNC(=O)COc1cccc(C[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000560558947 517896341 /nfs/dbraw/zinc/89/63/41/517896341.db2.gz UKTONIHVWMSHPQ-OAHLLOKOSA-N 1 0 371.437 2.831 20 5 FFBDRO CCCc1n[nH]c(C(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000521907554 517896444 /nfs/dbraw/zinc/89/64/44/517896444.db2.gz DBPVOHUHACGKJQ-BETUJISGSA-N 1 0 365.478 2.757 20 5 FFBDRO Cc1cc(C(=O)Nc2cccc(C[N@@H+]3CC[C@@H](O)C3)c2)ccc1[N+](=O)[O-] ZINC000560677979 517966616 /nfs/dbraw/zinc/96/66/16/517966616.db2.gz ADNDEVUAYOKRLL-QGZVFWFLSA-N 1 0 355.394 2.722 20 5 FFBDRO Cn1ncc([N+](=O)[O-])c1-c1nc(-c2cccc(C[NH+]3CCCC3)c2)no1 ZINC000547096682 517983469 /nfs/dbraw/zinc/98/34/69/517983469.db2.gz HQTUGRJPRKMBOU-UHFFFAOYSA-N 1 0 354.370 2.641 20 5 FFBDRO COCCSc1ccc([C@@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000539306384 517984848 /nfs/dbraw/zinc/98/48/48/517984848.db2.gz WSFSNQBYTUAUQZ-CYBMUJFWSA-N 1 0 350.444 2.881 20 5 FFBDRO COc1cc(C[C@@H](CO)C[NH2+]Cc2cccc([N+](=O)[O-])c2)cc(OC)c1 ZINC000530870550 518022576 /nfs/dbraw/zinc/02/25/76/518022576.db2.gz WXOGHNPAMUYFGK-MRXNPFEDSA-N 1 0 360.410 2.553 20 5 FFBDRO CCN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)[C@H](C)C1 ZINC000557525883 518055059 /nfs/dbraw/zinc/05/50/59/518055059.db2.gz AGZQOVNWFOAIQL-SNVBAGLBSA-N 1 0 356.220 2.524 20 5 FFBDRO C[C@@H]1C[C@@H]1N1C[C@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1=O ZINC000539515091 518085189 /nfs/dbraw/zinc/08/51/89/518085189.db2.gz GHHIVNKGBZVCBW-MRRJBJDNSA-N 1 0 355.394 2.954 20 5 FFBDRO CSC1(CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)CC[NH+](C)CC1 ZINC000517268417 518099900 /nfs/dbraw/zinc/09/99/00/518099900.db2.gz PKLFQBCQDRDSMB-UHFFFAOYSA-N 1 0 356.423 2.683 20 5 FFBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000531067612 518124174 /nfs/dbraw/zinc/12/41/74/518124174.db2.gz CDQPUZZWYCBNIR-OAHLLOKOSA-N 1 0 350.806 2.619 20 5 FFBDRO CC[N@@H+]1CCC[C@H](CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000543580853 518143717 /nfs/dbraw/zinc/14/37/17/518143717.db2.gz GPAPMKHRGNQXJE-LLVKDONJSA-N 1 0 370.247 2.819 20 5 FFBDRO COc1cc(CN(CC[NH+](C)C)Cc2ccccn2)c([N+](=O)[O-])cc1OC ZINC000563842475 518144570 /nfs/dbraw/zinc/14/45/70/518144570.db2.gz OCOFBNWDMXJZIV-UHFFFAOYSA-N 1 0 374.441 2.571 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCO[C@H](C3CCCCC3)C2)c1 ZINC000543585131 518146238 /nfs/dbraw/zinc/14/62/38/518146238.db2.gz IEMWIDHXNWXJLH-MJGOQNOKSA-N 1 0 364.442 2.616 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H]2CCCC[C@H]2C2CC2)cc1 ZINC000543598027 518149272 /nfs/dbraw/zinc/14/92/72/518149272.db2.gz OYVAZHDCVGCEIH-IRXDYDNUSA-N 1 0 352.456 2.927 20 5 FFBDRO CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000584175259 518214845 /nfs/dbraw/zinc/21/48/45/518214845.db2.gz PRGFOCVRJYDGQU-OAHLLOKOSA-N 1 0 369.425 2.882 20 5 FFBDRO CC(C)(C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000575743751 518260948 /nfs/dbraw/zinc/26/09/48/518260948.db2.gz ZSTDBCYQVIOIIE-AWEZNQCLSA-N 1 0 350.440 2.963 20 5 FFBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2c[nH]nc2[N+](=O)[O-])cc1 ZINC000572627297 518283622 /nfs/dbraw/zinc/28/36/22/518283622.db2.gz DTLCFDLJOKQYHO-CYBMUJFWSA-N 1 0 357.414 2.622 20 5 FFBDRO O=C(N[C@H](CO)C[NH+]1CCCCC1)c1cc2ccccc2c2cccnc12 ZINC000572636444 518289000 /nfs/dbraw/zinc/28/90/00/518289000.db2.gz LHJJLOCMWHCAMR-KRWDZBQOSA-N 1 0 363.461 2.965 20 5 FFBDRO CC(C)Oc1nc(N2CCC(OCCC[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000581618262 518374977 /nfs/dbraw/zinc/37/49/77/518374977.db2.gz WBRBDUMPRPHTFV-UHFFFAOYSA-N 1 0 366.462 2.714 20 5 FFBDRO COC(=O)c1cnc(NCC[N@H+]2CC=C(C(C)(C)C)CC2)c([N+](=O)[O-])c1 ZINC000572829515 518379308 /nfs/dbraw/zinc/37/93/08/518379308.db2.gz IZTRCORAGQHITD-UHFFFAOYSA-N 1 0 362.430 2.867 20 5 FFBDRO Cc1ccc(C[C@H](C)[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])s1 ZINC000584775330 518471552 /nfs/dbraw/zinc/47/15/52/518471552.db2.gz HTTMHUDZFBSRTM-JSGCOSHPSA-N 1 0 350.440 2.925 20 5 FFBDRO C[C@H](C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])Oc1ccccc1F ZINC000579103342 518523118 /nfs/dbraw/zinc/52/31/18/518523118.db2.gz JBIKHJPELRSFRY-ZIAGYGMSSA-N 1 0 364.373 2.531 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000564607403 518523331 /nfs/dbraw/zinc/52/33/31/518523331.db2.gz LLXDGBDWBDVREU-RDJZCZTQSA-N 1 0 360.385 2.963 20 5 FFBDRO CC(C)(C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1c(F)cccc1Cl ZINC000567464173 518537264 /nfs/dbraw/zinc/53/72/64/518537264.db2.gz IUDJSGJVRIVSBQ-GFCCVEGCSA-N 1 0 370.812 2.512 20 5 FFBDRO CNc1ccc([N+](=O)[O-])cc1NC(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000570334386 518555631 /nfs/dbraw/zinc/55/56/31/518555631.db2.gz ICZXMQAXBZBYCS-UHFFFAOYSA-N 1 0 362.430 2.610 20 5 FFBDRO CCc1ccc(S(=O)(=O)N(C)C2CC[NH+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000567584037 518599751 /nfs/dbraw/zinc/59/97/51/518599751.db2.gz AIARKOQNDGSDSC-UHFFFAOYSA-N 1 0 369.487 2.651 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2CCOC3(CCCCC3)C2)c1 ZINC000567605390 518610973 /nfs/dbraw/zinc/61/09/73/518610973.db2.gz QWEQSUFHKWEJEZ-NVXWUHKLSA-N 1 0 364.442 2.806 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](CO)c1ccccc1C ZINC000576485590 518617153 /nfs/dbraw/zinc/61/71/53/518617153.db2.gz MMAFACAUYHFDOM-KRWDZBQOSA-N 1 0 373.409 2.564 20 5 FFBDRO [NH3+]CCc1ccccc1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000579368532 518647974 /nfs/dbraw/zinc/64/79/74/518647974.db2.gz BHLLIEOMBSKRGJ-UHFFFAOYSA-N 1 0 369.421 2.780 20 5 FFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000579376484 518650988 /nfs/dbraw/zinc/65/09/88/518650988.db2.gz SPDCCAOKOPDTNM-FPOVZHCZSA-N 1 0 367.449 2.809 20 5 FFBDRO CC(C)[C@H](C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1cccnc1 ZINC000570564348 518669706 /nfs/dbraw/zinc/66/97/06/518669706.db2.gz NBEMZJUXGPPYJB-HKUYNNGSSA-N 1 0 359.426 2.759 20 5 FFBDRO C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)C[N@@H+]1C1CC1 ZINC000582311532 518692757 /nfs/dbraw/zinc/69/27/57/518692757.db2.gz PCEAFIZSXZNNDI-STQMWFEESA-N 1 0 364.421 2.608 20 5 FFBDRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3Cl)[C@H]2C1 ZINC000579519501 518719713 /nfs/dbraw/zinc/71/97/13/518719713.db2.gz MBSKCMFOYHRANX-JLJPHGGASA-N 1 0 351.834 2.985 20 5 FFBDRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3Cl)[C@@H]2C1 ZINC000579519505 518719830 /nfs/dbraw/zinc/71/98/30/518719830.db2.gz MBSKCMFOYHRANX-YSVLISHTSA-N 1 0 351.834 2.985 20 5 FFBDRO CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000579586900 518754424 /nfs/dbraw/zinc/75/44/24/518754424.db2.gz NJPFHLHNGWLMAB-NEPJUHHUSA-N 1 0 374.363 2.530 20 5 FFBDRO [NH3+]CCC1CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1 ZINC000565151919 518812211 /nfs/dbraw/zinc/81/22/11/518812211.db2.gz XKGWMBOEFHDLEL-UHFFFAOYSA-N 1 0 363.461 2.742 20 5 FFBDRO COC1CCC(C)(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000573835389 518858836 /nfs/dbraw/zinc/85/88/36/518858836.db2.gz ODBINWRMZLQYDM-KLHKWILBSA-N 1 0 352.431 2.519 20 5 FFBDRO [NH3+][C@@H](CCC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)c1ccccc1 ZINC000573840094 518860492 /nfs/dbraw/zinc/86/04/92/518860492.db2.gz MAGQAFNSVVTHKN-IBGZPJMESA-N 1 0 368.437 2.724 20 5 FFBDRO COc1cc(C[NH2+]C[C@H](CO)c2ccc(Cl)cc2)c([N+](=O)[O-])cc1O ZINC000588930054 518871696 /nfs/dbraw/zinc/87/16/96/518871696.db2.gz HPLCPYBVDCYDEO-CYBMUJFWSA-N 1 0 366.801 2.828 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1CNc1[nH]c2cc(OC)c(OC)cc2[nH+]1 ZINC000582705447 518881642 /nfs/dbraw/zinc/88/16/42/518881642.db2.gz ASDPAUOYDQWNNC-UHFFFAOYSA-N 1 0 372.381 2.921 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC1(C)CC[NH2+]CC1 ZINC000571073885 518914171 /nfs/dbraw/zinc/91/41/71/518914171.db2.gz KQLZDUIABSJUPU-NSHDSACASA-N 1 0 355.822 2.521 20 5 FFBDRO Cc1ncccc1C[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000589259223 518966802 /nfs/dbraw/zinc/96/68/02/518966802.db2.gz UKAWHPSSOJGBCN-UHFFFAOYSA-N 1 0 366.425 2.887 20 5 FFBDRO CCOc1cccc([C@@H]2C[C@H]2[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000565475712 518974954 /nfs/dbraw/zinc/97/49/54/518974954.db2.gz CYLTYBZRVNKMIR-FFZOFVMBSA-N 1 0 372.421 2.879 20 5 FFBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]C[C@]1(CO)C[C@H]1c1ccccc1)OCCO2 ZINC000589325085 518981385 /nfs/dbraw/zinc/98/13/85/518981385.db2.gz LDTMJKQUXJJEQW-JXFKEZNVSA-N 1 0 370.405 2.622 20 5 FFBDRO CC1(C)CN(c2cc(CN3CCOCC3)ccc2[N+](=O)[O-])CC(C)(C)O1 ZINC000583123589 519086068 /nfs/dbraw/zinc/08/60/68/519086068.db2.gz KLQDWPPXQLZEAF-UHFFFAOYSA-N 1 0 363.458 2.821 20 5 FFBDRO CCCC[N@@H+]1CCCC[C@H]1CNc1nc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000580357291 519133501 /nfs/dbraw/zinc/13/35/01/519133501.db2.gz AFBYDKFLYDXCEQ-ZDUSSCGKSA-N 1 0 350.419 2.843 20 5 FFBDRO COc1ccc(OCC[N@@H+]2C[C@H](c3cnn(C)c3)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000583213073 519133710 /nfs/dbraw/zinc/13/37/10/519133710.db2.gz YOBYHGQBNQIHTQ-MRXNPFEDSA-N 1 0 374.441 2.841 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@@H](O)CCc2ccccc2)n1 ZINC000565815046 519144747 /nfs/dbraw/zinc/14/47/47/519144747.db2.gz IBCVXMYVAWKBCS-RCCFBDPRSA-N 1 0 358.442 2.858 20 5 FFBDRO Cc1cc(NCCC[N@@H+]2CCC[C@H]2C(N)=O)c([N+](=O)[O-])cc1C(F)(F)F ZINC000590135218 519158582 /nfs/dbraw/zinc/15/85/82/519158582.db2.gz FCBKJDMZHCIYAG-ZDUSSCGKSA-N 1 0 374.363 2.674 20 5 FFBDRO CCOc1cc(C[NH2+][C@H]2CCCC[C@@H]2N2CCOCC2)ccc1[N+](=O)[O-] ZINC000574512858 519190242 /nfs/dbraw/zinc/19/02/42/519190242.db2.gz NYAVZEGJECASQI-IRXDYDNUSA-N 1 0 363.458 2.727 20 5 FFBDRO CNc1c(C(=O)N(C)CCC[N@H+](C)Cc2ccncc2)cccc1[N+](=O)[O-] ZINC000583326601 519190488 /nfs/dbraw/zinc/19/04/88/519190488.db2.gz GNMNCYQLBIKMSM-UHFFFAOYSA-N 1 0 371.441 2.626 20 5 FFBDRO COCC1(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CCCCC1 ZINC000574566930 519220358 /nfs/dbraw/zinc/22/03/58/519220358.db2.gz VBIPTEVFBXUNIG-HNNXBMFYSA-N 1 0 352.431 2.521 20 5 FFBDRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000590566096 519266929 /nfs/dbraw/zinc/26/69/29/519266929.db2.gz CDJBPKBCBCQMHG-CMPLNLGQSA-N 1 0 357.863 2.891 20 5 FFBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000590566098 519267269 /nfs/dbraw/zinc/26/72/69/519267269.db2.gz CDJBPKBCBCQMHG-PWSUYJOCSA-N 1 0 357.863 2.891 20 5 FFBDRO O=[N+]([O-])c1ccc2c(ccnc2N2CCC[C@H]([NH+]3CCOCC3)CC2)c1 ZINC000583510164 519288171 /nfs/dbraw/zinc/28/81/71/519288171.db2.gz JCDWPWKEBSHOBS-INIZCTEOSA-N 1 0 356.426 2.834 20 5 FFBDRO CC(C)[C@H]1C[C@@H](C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCO1 ZINC000590658521 519305264 /nfs/dbraw/zinc/30/52/64/519305264.db2.gz PBKRWXHJTUKXEY-XJKSGUPXSA-N 1 0 350.415 2.907 20 5 FFBDRO CCn1c(C)nc([N+](=O)[O-])c1NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000574745708 519309973 /nfs/dbraw/zinc/30/99/73/519309973.db2.gz NBKODJBPEGPYOY-UHFFFAOYSA-N 1 0 361.446 2.715 20 5 FFBDRO [NH3+][C@H]1CCc2ncc(NC(=O)CSc3ccc([N+](=O)[O-])cc3)cc2C1 ZINC000568989845 519319027 /nfs/dbraw/zinc/31/90/27/519319027.db2.gz PHTWABIEFUQNCD-LBPRGKRZSA-N 1 0 358.423 2.537 20 5 FFBDRO O=[N+]([O-])c1cnc(Sc2nnc([C@H]3CCC[NH2+]C3)n2C2CC2)c(F)c1 ZINC000571887101 519329508 /nfs/dbraw/zinc/32/95/08/519329508.db2.gz KIWFYELQSDLANY-VIFPVBQESA-N 1 0 364.406 2.674 20 5 FFBDRO Cn1c(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])nc2ccccc21 ZINC000571909653 519341709 /nfs/dbraw/zinc/34/17/09/519341709.db2.gz XYQCOWFXILDJIV-UHFFFAOYSA-N 1 0 353.382 2.600 20 5 FFBDRO CC[C@H](C)[NH2+][C@H](CNC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000583653868 519360461 /nfs/dbraw/zinc/36/04/61/519360461.db2.gz NZXKMVRGDLHWLE-XJKSGUPXSA-N 1 0 361.398 2.812 20 5 FFBDRO COc1ccc(NC(=O)[C@@H](C)SCC2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000583691880 519384202 /nfs/dbraw/zinc/38/42/02/519384202.db2.gz SRFWTOVKVTYWPG-LLVKDONJSA-N 1 0 353.444 2.663 20 5 FFBDRO COC(=O)COc1ccc(C[N@@H+]2CC[C@@H](c3cccnc3)C2)cc1[N+](=O)[O-] ZINC000566247893 519392841 /nfs/dbraw/zinc/39/28/41/519392841.db2.gz ZBEDWDRUEQGVQI-MRXNPFEDSA-N 1 0 371.393 2.531 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CC[C@H]1CCc2ccccc2N1 ZINC000583748318 519414281 /nfs/dbraw/zinc/41/42/81/519414281.db2.gz YNTGDZFQIYIXAG-SJORKVTESA-N 1 0 371.437 2.741 20 5 FFBDRO O=C(NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000574950132 519417373 /nfs/dbraw/zinc/41/73/73/519417373.db2.gz RFZPGHQJLNIKOY-MRXNPFEDSA-N 1 0 356.426 2.955 20 5 FFBDRO C[C@@H]([NH3+])CN1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000566303565 519423336 /nfs/dbraw/zinc/42/33/36/519423336.db2.gz CGUCRMJMHLASNI-CQSZACIVSA-N 1 0 360.483 2.788 20 5 FFBDRO Cc1cccc(C)c1OC[C@H](O)C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000574983371 519437430 /nfs/dbraw/zinc/43/74/30/519437430.db2.gz HEQGWWDFUYRARY-OAHLLOKOSA-N 1 0 370.409 2.617 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCc2ccccc2[C@@H]1C[NH3+] ZINC000569246109 519452856 /nfs/dbraw/zinc/45/28/56/519452856.db2.gz UUXHTTQCNSRXCB-IBGZPJMESA-N 1 0 368.437 2.790 20 5 FFBDRO COc1ccc(OCC[NH2+][C@@H](CO)c2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000583831694 519456370 /nfs/dbraw/zinc/45/63/70/519456370.db2.gz AXBRCYKBIIIQRI-HNNXBMFYSA-N 1 0 366.801 2.959 20 5 FFBDRO COCC[N@H+](CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C1CCCC1 ZINC000591011802 519474710 /nfs/dbraw/zinc/47/47/10/519474710.db2.gz FMRPJSXIPRIVJN-UHFFFAOYSA-N 1 0 365.430 2.823 20 5 FFBDRO CC1(C)CC[C@@H](C[N@@H+]2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)O1 ZINC000591028426 519484014 /nfs/dbraw/zinc/48/40/14/519484014.db2.gz RBCHEZJDMPKLGS-HNNXBMFYSA-N 1 0 373.457 2.941 20 5 FFBDRO COc1cc(C(=O)N2CCC[N@H+](CC3CCC3)CC2)cc([N+](=O)[O-])c1C ZINC000572190954 519487075 /nfs/dbraw/zinc/48/70/75/519487075.db2.gz WVTMECJBNUVSEZ-UHFFFAOYSA-N 1 0 361.442 2.860 20 5 FFBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@H](CN1CCOCC1)c1ccc(C)cc1 ZINC000578257973 519499036 /nfs/dbraw/zinc/49/90/36/519499036.db2.gz QEJUTXSRJHPVSG-QGZVFWFLSA-N 1 0 373.457 2.913 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CC2(c3cccs3)CCCCC2)c1 ZINC000575116689 519509935 /nfs/dbraw/zinc/50/99/35/519509935.db2.gz JIOUXZANJZGNSM-HNNXBMFYSA-N 1 0 364.471 2.705 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2CCc3cc(N)ccc32)cc1[N+](=O)[O-] ZINC000566489995 519519131 /nfs/dbraw/zinc/51/91/31/519519131.db2.gz BJWIOVADVIZLNI-MRXNPFEDSA-N 1 0 371.393 2.506 20 5 FFBDRO Cc1ccc(CC[C@@H](C)[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000575174893 519540166 /nfs/dbraw/zinc/54/01/66/519540166.db2.gz XYMOXRPZWHNORZ-CYBMUJFWSA-N 1 0 366.439 2.881 20 5 FFBDRO COc1c[nH+]ccc1N1CCN(c2cc([N+](=O)[O-])ccc2C(C)=O)CC1 ZINC000578358844 519552888 /nfs/dbraw/zinc/55/28/88/519552888.db2.gz MYEWLYJNQZIORV-UHFFFAOYSA-N 1 0 356.382 2.528 20 5 FFBDRO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000591306424 519582656 /nfs/dbraw/zinc/58/26/56/519582656.db2.gz WBLVEMMZBQJRLL-ZANVPECISA-N 1 0 369.219 2.573 20 5 FFBDRO CC[C@@H]1CN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC[C@@H]1[NH3+] ZINC000591357234 519607710 /nfs/dbraw/zinc/60/77/10/519607710.db2.gz SKRVYOLPKSWBFH-RISCZKNCSA-N 1 0 374.363 2.882 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](c1ccccc1)C1(CO)CC=CC1 ZINC000602851305 519924388 /nfs/dbraw/zinc/92/43/88/519924388.db2.gz VLLVMLASLWAYBF-SFHVURJKSA-N 1 0 356.426 2.759 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC(C)([NH+]2CCCC2)CC1 ZINC000602951550 519989235 /nfs/dbraw/zinc/98/92/35/519989235.db2.gz QSHAQCZIIACKEI-UHFFFAOYSA-N 1 0 360.458 2.792 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+]1CCC2(CCSCC2)CC1 ZINC000602948595 519989464 /nfs/dbraw/zinc/98/94/64/519989464.db2.gz BCERHZISKNTKOB-HNNXBMFYSA-N 1 0 366.483 2.944 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)c1C ZINC000594484043 519992653 /nfs/dbraw/zinc/99/26/53/519992653.db2.gz QERPHDQMDQERJK-LSDHHAIUSA-N 1 0 367.471 2.507 20 5 FFBDRO CCC1([NH+](C)C)CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000602959965 519994721 /nfs/dbraw/zinc/99/47/21/519994721.db2.gz VIDRKJPPUVYLBL-UHFFFAOYSA-N 1 0 350.419 2.942 20 5 FFBDRO COc1cncc(/C=C\CC[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)c1 ZINC000602963323 519996184 /nfs/dbraw/zinc/99/61/84/519996184.db2.gz VICQMDZRDWPCEA-WSGSOLELSA-N 1 0 357.410 2.899 20 5 FFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H](C)C(=O)OC(C)(C)C ZINC000594512984 520009898 /nfs/dbraw/zinc/00/98/98/520009898.db2.gz KAYONHVHNZRQJA-STQMWFEESA-N 1 0 365.430 2.879 20 5 FFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCCN2CCCC[C@H]12 ZINC000594517962 520011653 /nfs/dbraw/zinc/01/16/53/520011653.db2.gz FFJYSNMECBNILU-ZTFGCOKTSA-N 1 0 360.458 2.918 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)nccc2N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000594601599 520048842 /nfs/dbraw/zinc/04/88/42/520048842.db2.gz XVGIJYZHNOECMQ-HNNXBMFYSA-N 1 0 356.426 2.834 20 5 FFBDRO Cn1cc(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000608836178 520140445 /nfs/dbraw/zinc/14/04/45/520140445.db2.gz NDFQMCOSAKMQIW-AEFFLSMTSA-N 1 0 355.442 2.712 20 5 FFBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000597620953 520140516 /nfs/dbraw/zinc/14/05/16/520140516.db2.gz WLCXPERCIQHNCP-HNNXBMFYSA-N 1 0 373.409 2.668 20 5 FFBDRO Cc1cc(S(=O)(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)c(C)cc1[N+](=O)[O-] ZINC000594787690 520158826 /nfs/dbraw/zinc/15/88/26/520158826.db2.gz CDPHQBBYBHOESV-AWEZNQCLSA-N 1 0 369.487 2.610 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC([N@H+]2CCOC[C@H]2C)CC1 ZINC000597676267 520171039 /nfs/dbraw/zinc/17/10/39/520171039.db2.gz HCOPRHDNJIKEAW-OAHLLOKOSA-N 1 0 361.442 2.537 20 5 FFBDRO COC[C@@H](CC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)OC ZINC000594955282 520227869 /nfs/dbraw/zinc/22/78/69/520227869.db2.gz MLRJWXVKKUNLRG-OAHLLOKOSA-N 1 0 351.428 2.859 20 5 FFBDRO O=C(CC[NH2+][C@H](CCO)c1ccccc1F)Nc1ccc([N+](=O)[O-])cc1 ZINC000592161887 520237153 /nfs/dbraw/zinc/23/71/53/520237153.db2.gz TUMXZDLGVMTYCH-QGZVFWFLSA-N 1 0 361.373 2.776 20 5 FFBDRO C[C@@H]1COCC[N@@H+]1C1CCN(c2ccc([N+](=O)[O-])c3cccnc32)CC1 ZINC000603402073 520249441 /nfs/dbraw/zinc/24/94/41/520249441.db2.gz MBUURZSCLHIECJ-CQSZACIVSA-N 1 0 356.426 2.833 20 5 FFBDRO CC(C)[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1(CO)CC=CC1 ZINC000592179427 520249870 /nfs/dbraw/zinc/24/98/70/520249870.db2.gz QJEMLUJEABMPFL-GOSISDBHSA-N 1 0 362.426 2.904 20 5 FFBDRO C[C@@H]1COCC[N@@H+]1C1CCN(c2ccc3cnccc3c2[N+](=O)[O-])CC1 ZINC000603403915 520250191 /nfs/dbraw/zinc/25/01/91/520250191.db2.gz XEWPXMRRDOWVBK-CQSZACIVSA-N 1 0 356.426 2.833 20 5 FFBDRO CC1(C)[C@H]2CCC[C@H]2[C@@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000595032259 520263755 /nfs/dbraw/zinc/26/37/55/520263755.db2.gz LTVLGGFOXBYZCI-PMPSAXMXSA-N 1 0 352.456 2.783 20 5 FFBDRO O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000600469593 520278750 /nfs/dbraw/zinc/27/87/50/520278750.db2.gz CKVQCKBUGLSIKI-ZDUSSCGKSA-N 1 0 369.368 2.943 20 5 FFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCN1C[C@@H]2CCCCN2C1=O ZINC000595099277 520293272 /nfs/dbraw/zinc/29/32/72/520293272.db2.gz GLSOFESTGROJRW-WBVHZDCISA-N 1 0 360.458 2.796 20 5 FFBDRO CCS(=O)(=O)C1(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC000595098615 520293589 /nfs/dbraw/zinc/29/35/89/520293589.db2.gz CMGRBLXAYDBEFK-ZBFHGGJFSA-N 1 0 366.483 2.863 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000597921874 520324663 /nfs/dbraw/zinc/32/46/63/520324663.db2.gz HFSHBUNNHKDCHN-LLVKDONJSA-N 1 0 357.357 2.799 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@](C)(CO)c1ccccc1 ZINC000609483906 520327304 /nfs/dbraw/zinc/32/73/04/520327304.db2.gz PUJNASOXFMSUSK-LJQANCHMSA-N 1 0 357.410 2.729 20 5 FFBDRO CC(C)c1ccc(C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000597942344 520340896 /nfs/dbraw/zinc/34/08/96/520340896.db2.gz LQQLCXJLXGXTLR-HNNXBMFYSA-N 1 0 364.490 2.720 20 5 FFBDRO Cc1cc(C(=O)N2CCC[C@H]2c2nc([C@@H]3CCC[NH2+]3)no2)ccc1[N+](=O)[O-] ZINC000592356659 520346784 /nfs/dbraw/zinc/34/67/84/520346784.db2.gz CJSNJENVGALMIW-ZFWWWQNUSA-N 1 0 371.397 2.688 20 5 FFBDRO COc1cccc(C(=O)N2CC[C@H](c3ccccc3)[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000595220491 520356759 /nfs/dbraw/zinc/35/67/59/520356759.db2.gz HLGWHQGADSOQPO-GDBMZVCRSA-N 1 0 355.394 2.560 20 5 FFBDRO CC(C)[N@@H+]1CC[C@@H](CNc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])C1 ZINC000609560653 520358503 /nfs/dbraw/zinc/35/85/03/520358503.db2.gz DVNUHFMQZVPZKD-AWEZNQCLSA-N 1 0 371.441 2.702 20 5 FFBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CC[C@@H](C)[C@@H]([NH3+])C3)cc2[N+](=O)[O-])C1 ZINC000595229430 520362258 /nfs/dbraw/zinc/36/22/58/520362258.db2.gz YQAJXIMDWMQNAZ-ANQUJSFKSA-N 1 0 374.485 2.886 20 5 FFBDRO [NH3+]C1(CNC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CCCC1 ZINC000595274103 520381430 /nfs/dbraw/zinc/38/14/30/520381430.db2.gz NGNKURJPYAIXMR-UHFFFAOYSA-N 1 0 360.336 2.684 20 5 FFBDRO CC[C@H]1CN(Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000592427615 520387571 /nfs/dbraw/zinc/38/75/71/520387571.db2.gz HWYPGLPDMPHNLI-AAEUAGOBSA-N 1 0 373.400 2.807 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000598062201 520405051 /nfs/dbraw/zinc/40/50/51/520405051.db2.gz NZOMIVLMJCMECL-UHFFFAOYSA-N 1 0 368.437 2.940 20 5 FFBDRO C[C@H]1CN(CC[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C[C@H](C)O1 ZINC000595331951 520412620 /nfs/dbraw/zinc/41/26/20/520412620.db2.gz ZMVOZCSOMPNJSW-HOTGVXAUSA-N 1 0 363.458 2.547 20 5 FFBDRO CN(C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000609724568 520414720 /nfs/dbraw/zinc/41/47/20/520414720.db2.gz ARGNINDFBWCDGA-CQSZACIVSA-N 1 0 367.833 2.712 20 5 FFBDRO [NH3+]C[C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[C@H]1C(F)(F)F ZINC000600726517 520426315 /nfs/dbraw/zinc/42/63/15/520426315.db2.gz LTBHPPCIMBTJON-MWLCHTKSSA-N 1 0 358.320 2.695 20 5 FFBDRO CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000592525605 520439059 /nfs/dbraw/zinc/43/90/59/520439059.db2.gz AUBDQKHSCBLPBM-IYCSXQJISA-N 1 0 371.359 2.999 20 5 FFBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000609833825 520449619 /nfs/dbraw/zinc/44/96/19/520449619.db2.gz XIBXZJWNJWYTDU-MRXNPFEDSA-N 1 0 360.458 2.799 20 5 FFBDRO COc1ccc(CNC(=O)NCCC[NH2+]C2CCCCC2)cc1[N+](=O)[O-] ZINC000604105629 520452233 /nfs/dbraw/zinc/45/22/33/520452233.db2.gz WYKYWPKBDBELPE-UHFFFAOYSA-N 1 0 364.446 2.715 20 5 FFBDRO COc1ccc(CNC(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000604105761 520452330 /nfs/dbraw/zinc/45/23/30/520452330.db2.gz XQARYGNLMCUFGU-UONOGXRCSA-N 1 0 364.446 2.523 20 5 FFBDRO COc1cc(CN[C@@H]2CC[NH2+]C23CCC3)c([N+](=O)[O-])cc1OCC(F)F ZINC000600770375 520458337 /nfs/dbraw/zinc/45/83/37/520458337.db2.gz XSBLGFPLBGFTMX-OAHLLOKOSA-N 1 0 371.384 2.622 20 5 FFBDRO C[N@H+](CCOCC[NH3+])Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000600771801 520459454 /nfs/dbraw/zinc/45/94/54/520459454.db2.gz BFODKVBQRXRESE-UHFFFAOYSA-N 1 0 353.806 2.915 20 5 FFBDRO COC(=O)c1cc(NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)cc([N+](=O)[O-])c1 ZINC000609884464 520468735 /nfs/dbraw/zinc/46/87/35/520468735.db2.gz BYSMGTZWTUJKNH-INIZCTEOSA-N 1 0 363.414 2.830 20 5 FFBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000595476255 520494310 /nfs/dbraw/zinc/49/43/10/520494310.db2.gz ZFFNPPDXPGZSJG-GOSISDBHSA-N 1 0 354.410 2.669 20 5 FFBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000595476256 520495352 /nfs/dbraw/zinc/49/53/52/520495352.db2.gz ZFFNPPDXPGZSJG-SFHVURJKSA-N 1 0 354.410 2.669 20 5 FFBDRO C[N@@H+]1CC[C@]2(C1)CCCN(Cc1nc(-c3ccc([N+](=O)[O-])cc3)no1)C2 ZINC000595505414 520513840 /nfs/dbraw/zinc/51/38/40/520513840.db2.gz SZOKMBIFJHTBRJ-SFHVURJKSA-N 1 0 357.414 2.563 20 5 FFBDRO C[N@@H+]1CC[C@@]2(C1)CCCN(Cc1nnc(-c3ccc([N+](=O)[O-])cc3)o1)C2 ZINC000595507978 520519462 /nfs/dbraw/zinc/51/94/62/520519462.db2.gz SNFIQDOUHLSTPP-GOSISDBHSA-N 1 0 357.414 2.563 20 5 FFBDRO C[N@@H+]1CC[C@@]2(C1)CCCN(Cc1nc(-c3cccc([N+](=O)[O-])c3)no1)C2 ZINC000595508390 520519827 /nfs/dbraw/zinc/51/98/27/520519827.db2.gz XBUZXHNZZHOQEC-GOSISDBHSA-N 1 0 357.414 2.563 20 5 FFBDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000598261414 520525215 /nfs/dbraw/zinc/52/52/15/520525215.db2.gz FFLOQQKCXAPKAV-OAHLLOKOSA-N 1 0 371.441 2.631 20 5 FFBDRO C[NH+]1CCN(Cc2ccc(NC(=O)c3c(F)cccc3[N+](=O)[O-])cc2)CC1 ZINC000600996184 520582384 /nfs/dbraw/zinc/58/23/84/520582384.db2.gz WUUGPKCMEQMQPM-UHFFFAOYSA-N 1 0 372.400 2.734 20 5 FFBDRO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)c1ccc([N+](=O)[O-])[nH]1 ZINC000598396341 520595930 /nfs/dbraw/zinc/59/59/30/520595930.db2.gz LEKKECDINZWQAX-MRXNPFEDSA-N 1 0 368.437 2.955 20 5 FFBDRO CCCN(C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)[C@H]1CC[N@H+](C)C1 ZINC000592828866 520605309 /nfs/dbraw/zinc/60/53/09/520605309.db2.gz KIKGJJUTUZZCRD-HNNXBMFYSA-N 1 0 357.414 2.541 20 5 FFBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000595637864 520614749 /nfs/dbraw/zinc/61/47/49/520614749.db2.gz YHXWIMKBHPTTEV-ZIEJDFEHSA-N 1 0 358.398 2.799 20 5 FFBDRO C[C@@H]1C[C@H]1N1C[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1=O ZINC000610272721 520615546 /nfs/dbraw/zinc/61/55/46/520615546.db2.gz GZAGEXXRGQWEMB-HACGYAERSA-N 1 0 355.394 2.954 20 5 FFBDRO C[NH+](C)CCn1cc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cn1 ZINC000610291738 520624936 /nfs/dbraw/zinc/62/49/36/520624936.db2.gz ADCKYDLRZBKORA-UHFFFAOYSA-N 1 0 371.319 2.624 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000595665957 520633671 /nfs/dbraw/zinc/63/36/71/520633671.db2.gz ZBLOKADGQHDWLD-HNNXBMFYSA-N 1 0 373.457 2.791 20 5 FFBDRO O=[N+]([O-])c1ccccc1C[NH2+]Cc1ccc(OCCN2CCOCC2)cc1 ZINC000601100675 520633954 /nfs/dbraw/zinc/63/39/54/520633954.db2.gz DYEWAUUSTVZRES-UHFFFAOYSA-N 1 0 371.437 2.596 20 5 FFBDRO CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc(Br)c2C)C[C@H](C)[NH2+]1 ZINC000598530992 520684360 /nfs/dbraw/zinc/68/43/60/520684360.db2.gz CSMJEHNKKGIAEQ-GXSJLCMTSA-N 1 0 370.247 2.878 20 5 FFBDRO Cc1cc(OCC(=O)NCC2CC[NH+](CC3CC3)CC2)ccc1[N+](=O)[O-] ZINC000598539436 520689797 /nfs/dbraw/zinc/68/97/97/520689797.db2.gz DTMSPRNUUMFWAE-UHFFFAOYSA-N 1 0 361.442 2.520 20 5 FFBDRO O=[N+]([O-])c1cnn(CC[N@H+](Cc2ccc3c(c2)OCO3)C2CCCC2)c1 ZINC000610447481 520691012 /nfs/dbraw/zinc/69/10/12/520691012.db2.gz ATVOQQIOEJEXCS-UHFFFAOYSA-N 1 0 358.398 2.965 20 5 FFBDRO CN(C(=O)C[N@@H+]1CCC[C@H]([C@H]2CCCCO2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000595788323 520725300 /nfs/dbraw/zinc/72/53/00/520725300.db2.gz JCKGWSIWZNQEEC-MAUKXSAKSA-N 1 0 361.442 2.839 20 5 FFBDRO O=C(C[N@@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000595789779 520727284 /nfs/dbraw/zinc/72/72/84/520727284.db2.gz OHLNPJXXKVBKFV-APWZRJJASA-N 1 0 373.453 2.765 20 5 FFBDRO COC(=O)c1ccnc(N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000598589925 520730727 /nfs/dbraw/zinc/73/07/27/520730727.db2.gz VQQZAWLRSGNCNR-RWMBFGLXSA-N 1 0 350.419 2.555 20 5 FFBDRO CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)C1 ZINC000598603074 520737937 /nfs/dbraw/zinc/73/79/37/520737937.db2.gz GCOSBXWPTBCPJC-OAHLLOKOSA-N 1 0 369.487 2.564 20 5 FFBDRO Cc1cc(S(=O)(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)c([N+](=O)[O-])s1 ZINC000601351373 520751536 /nfs/dbraw/zinc/75/15/36/520751536.db2.gz FUSSAOSFNHGSOX-CYBMUJFWSA-N 1 0 373.500 2.604 20 5 FFBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@]3(CC3(F)F)C2)c([N+](=O)[O-])c1 ZINC000593119232 520757867 /nfs/dbraw/zinc/75/78/67/520757867.db2.gz VUEHGGGKGWKFTF-HNNXBMFYSA-N 1 0 355.341 2.663 20 5 FFBDRO CCC[N@H+](C)CC(C)(C)NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000595874659 520783276 /nfs/dbraw/zinc/78/32/76/520783276.db2.gz YJPUINOMFAWVDL-UHFFFAOYSA-N 1 0 356.854 2.897 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N(C)CCOC(C)(C)C ZINC000610859772 520877206 /nfs/dbraw/zinc/87/72/06/520877206.db2.gz MBULQVJOKVPDLZ-GFCCVEGCSA-N 1 0 353.419 2.677 20 5 FFBDRO CC[NH+]1CCN(CCNc2cc(C)c([N+](=O)[O-])cc2Br)CC1 ZINC000596073953 520895871 /nfs/dbraw/zinc/89/58/71/520895871.db2.gz OUGJWHZTPFSLCS-UHFFFAOYSA-N 1 0 371.279 2.715 20 5 FFBDRO COC(=O)c1c(Cl)c(N2CC[C@H](C[NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000596134474 520933610 /nfs/dbraw/zinc/93/36/10/520933610.db2.gz JOTAJAVRYGRZLN-GFCCVEGCSA-N 1 0 367.833 2.957 20 5 FFBDRO CCC1([NH+](C)C)CCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)CC1 ZINC000601792523 520954899 /nfs/dbraw/zinc/95/48/99/520954899.db2.gz XDDQVAIPYCYMME-UHFFFAOYSA-N 1 0 371.441 2.931 20 5 FFBDRO COc1cccc([C@@H](C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)OC)c1 ZINC000598989120 520962536 /nfs/dbraw/zinc/96/25/36/520962536.db2.gz ZGOMEYIVUFQFNB-LJQANCHMSA-N 1 0 374.393 2.852 20 5 FFBDRO COc1cc(C[NH2+]C[C@H]2c3ccccc3C(=O)N2C)c([N+](=O)[O-])cc1OC ZINC000598999497 520970114 /nfs/dbraw/zinc/97/01/14/520970114.db2.gz OMVCOHUDAMCSPV-INIZCTEOSA-N 1 0 371.393 2.529 20 5 FFBDRO O=[N+]([O-])c1ccc2[nH]c(CN3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)nc2c1 ZINC000618288441 520982710 /nfs/dbraw/zinc/98/27/10/520982710.db2.gz PURCUXIFKJLTOG-UGSOOPFHSA-N 1 0 355.442 2.920 20 5 FFBDRO CC(C)C[N@H+](C)CCCNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000593424790 520985189 /nfs/dbraw/zinc/98/51/89/520985189.db2.gz PSOSYDBENWDKQO-UHFFFAOYSA-N 1 0 350.463 2.757 20 5 FFBDRO CC(C)C[NH2+]C1(CO)CCN(c2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000596252275 520995009 /nfs/dbraw/zinc/99/50/09/520995009.db2.gz BBLYSAOGMKQSKO-UHFFFAOYSA-N 1 0 358.442 2.720 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C)cc3)C2)c1 ZINC000601881135 521004104 /nfs/dbraw/zinc/00/41/04/521004104.db2.gz RTJIJWRECZAORQ-INIZCTEOSA-N 1 0 369.421 2.916 20 5 FFBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000611155672 521013756 /nfs/dbraw/zinc/01/37/56/521013756.db2.gz GIABAPAXVSLYGE-SFHVURJKSA-N 1 0 360.458 2.797 20 5 FFBDRO C[C@H]1CCC[N@H+](CCNC(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000599072943 521016272 /nfs/dbraw/zinc/01/62/72/521016272.db2.gz LVRIDENDNMQZDI-NSHDSACASA-N 1 0 370.247 2.819 20 5 FFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CCN1C1CCCC1 ZINC000599072881 521016421 /nfs/dbraw/zinc/01/64/21/521016421.db2.gz BDTXCARKOZXVRH-RDTXWAMCSA-N 1 0 360.458 2.918 20 5 FFBDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000593541451 521063152 /nfs/dbraw/zinc/06/31/52/521063152.db2.gz AXJCBNKSBAOPPA-AWEZNQCLSA-N 1 0 351.422 2.761 20 5 FFBDRO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000593545676 521065502 /nfs/dbraw/zinc/06/55/02/521065502.db2.gz XTIAQGGUOUQGOT-RHSMWYFYSA-N 1 0 361.417 2.752 20 5 FFBDRO CC(C)(CO)[NH+]1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000611272222 521071784 /nfs/dbraw/zinc/07/17/84/521071784.db2.gz MCNRUUIPZVJEJM-UHFFFAOYSA-N 1 0 359.426 2.743 20 5 FFBDRO Cn1cc(C[NH+]2CCC(C3(O)CC3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000593648314 521129874 /nfs/dbraw/zinc/12/98/74/521129874.db2.gz WIYSABCYEGQOAA-UHFFFAOYSA-N 1 0 356.426 2.732 20 5 FFBDRO CC(C)C[N@H+](C)CCCN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000593647371 521130084 /nfs/dbraw/zinc/13/00/84/521130084.db2.gz YOHJCAHMCWTMIW-SFHVURJKSA-N 1 0 359.474 2.985 20 5 FFBDRO COc1cc(C[NH2+]C[C@@]2(CO)CCc3ccccc32)c([N+](=O)[O-])cc1OC ZINC000593653149 521133326 /nfs/dbraw/zinc/13/33/26/521133326.db2.gz UTYLFILFIDSFJA-HXUWFJFHSA-N 1 0 372.421 2.578 20 5 FFBDRO C[NH+](C)CCC[C@H]1CN(c2c(Br)cccc2[N+](=O)[O-])CCO1 ZINC000596566907 521135682 /nfs/dbraw/zinc/13/56/82/521135682.db2.gz NPYTVWYSNVNZPL-LBPRGKRZSA-N 1 0 372.263 2.904 20 5 FFBDRO O=c1[nH]cnc2cc(NC[C@@H]3CCC[N@H+](CC4CC4)C3)c([N+](=O)[O-])cc21 ZINC000596571760 521138682 /nfs/dbraw/zinc/13/86/82/521138682.db2.gz ZSYBEEDGZMWJSQ-ZDUSSCGKSA-N 1 0 357.414 2.778 20 5 FFBDRO O=C1c2ccccc2C(=O)N1CC[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000618601565 521140234 /nfs/dbraw/zinc/14/02/34/521140234.db2.gz VCLUWMZJZNVALZ-UHFFFAOYSA-N 1 0 367.405 2.803 20 5 FFBDRO C[C@H](CCO)C1(C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCC1 ZINC000611443463 521161410 /nfs/dbraw/zinc/16/14/10/521161410.db2.gz VSXHFIBSOGWBPO-CYBMUJFWSA-N 1 0 350.415 2.644 20 5 FFBDRO Cc1ccc(NC(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cc1[N+](=O)[O-] ZINC000593758629 521197513 /nfs/dbraw/zinc/19/75/13/521197513.db2.gz MVICZSDRPKYDQR-GRDNDAEWSA-N 1 0 362.430 2.653 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000611568004 521223206 /nfs/dbraw/zinc/22/32/06/521223206.db2.gz JTEWIKLDGFIEIE-AWEZNQCLSA-N 1 0 350.444 2.842 20 5 FFBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCC[C@@H](OC(F)F)C1 ZINC000611579127 521232329 /nfs/dbraw/zinc/23/23/29/521232329.db2.gz IWNCRXAWWUAACY-GFCCVEGCSA-N 1 0 371.340 2.596 20 5 FFBDRO COCCC1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000599506886 521265906 /nfs/dbraw/zinc/26/59/06/521265906.db2.gz NDLNQIUGZMIUFT-UHFFFAOYSA-N 1 0 365.430 2.681 20 5 FFBDRO CN(CC[NH+]1CCCCC1)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000593882467 521271033 /nfs/dbraw/zinc/27/10/33/521271033.db2.gz IKQSFIRQIUCQLK-UHFFFAOYSA-N 1 0 360.458 2.753 20 5 FFBDRO C[C@@H](CNc1ncnc2ccc([N+](=O)[O-])cc21)[N@@H+]1CCc2sccc2C1 ZINC000611700541 521287304 /nfs/dbraw/zinc/28/73/04/521287304.db2.gz AQPRVUUUVOUMFO-LBPRGKRZSA-N 1 0 369.450 2.880 20 5 FFBDRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])C2)C1 ZINC000593911555 521287638 /nfs/dbraw/zinc/28/76/38/521287638.db2.gz GOTKOFWOFJBXLW-GHJWDPDVSA-N 1 0 367.833 2.607 20 5 FFBDRO C[C@@H](CNc1ncnc2ccc([N+](=O)[O-])cc21)[N@@H+]1CCc2ccccc2C1 ZINC000611703508 521288144 /nfs/dbraw/zinc/28/81/44/521288144.db2.gz UAAHNTDKUCNECF-AWEZNQCLSA-N 1 0 363.421 2.819 20 5 FFBDRO C[NH2+]Cc1ccccc1CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000593914089 521288444 /nfs/dbraw/zinc/28/84/44/521288444.db2.gz HCTOFOHGTCAUPX-UHFFFAOYSA-N 1 0 356.426 2.823 20 5 FFBDRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000593918568 521290325 /nfs/dbraw/zinc/29/03/25/521290325.db2.gz GEVAASXTDOKEMY-UNEWFSDZSA-N 1 0 373.409 2.842 20 5 FFBDRO C[C@H]1CCCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1CC[NH3+] ZINC000593917398 521290454 /nfs/dbraw/zinc/29/04/54/521290454.db2.gz VNDDNOHVKJBKPU-GXTWGEPZSA-N 1 0 369.849 2.993 20 5 FFBDRO C[C@@H]1C[C@@H](NC(=O)c2c(Br)cccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000599576169 521307563 /nfs/dbraw/zinc/30/75/63/521307563.db2.gz KFDHMAMJDJGIBN-ZJUUUORDSA-N 1 0 356.220 2.570 20 5 FFBDRO COc1cccc(C[C@H]([NH3+])C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1 ZINC000602446300 521351536 /nfs/dbraw/zinc/35/15/36/521351536.db2.gz AZWAGEWJSLXNCF-IBGZPJMESA-N 1 0 371.437 2.910 20 5 FFBDRO Cn1cc(C[N@H+](C)CCc2ccc(Br)cc2)c([N+](=O)[O-])n1 ZINC000602458823 521357932 /nfs/dbraw/zinc/35/79/32/521357932.db2.gz QBLRFFTWUAKKCH-UHFFFAOYSA-N 1 0 353.220 2.765 20 5 FFBDRO C[NH+](C)C[C@H](Cc1ccccc1)NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602517415 521389490 /nfs/dbraw/zinc/38/94/90/521389490.db2.gz BHCAUDWNTPMPFU-HNNXBMFYSA-N 1 0 354.410 2.999 20 5 FFBDRO CC(C)Oc1ccc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cn1 ZINC000602517358 521390661 /nfs/dbraw/zinc/39/06/61/521390661.db2.gz ZLJBHFOYSDXDAY-UHFFFAOYSA-N 1 0 371.441 2.931 20 5 FFBDRO C[C@@H](CN1CCC[C@@H](C)C1)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602522097 521392549 /nfs/dbraw/zinc/39/25/49/521392549.db2.gz CULABGKXQJDTIO-CVEARBPZSA-N 1 0 361.490 2.669 20 5 FFBDRO O=[N+]([O-])c1sc(C[NH2+][C@@H]2CCc3n[nH]cc3C2)cc1Br ZINC000602552666 521407905 /nfs/dbraw/zinc/40/79/05/521407905.db2.gz OZAWKWQUKICSEK-MRVPVSSYSA-N 1 0 357.233 2.789 20 5 FFBDRO CC1(C)[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)[C@H]2CCCO[C@@H]21 ZINC000602563422 521414101 /nfs/dbraw/zinc/41/41/01/521414101.db2.gz ZSYFXFVMARGFRC-NXHRZFHOSA-N 1 0 360.458 2.752 20 5 FFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCOc2ccc(C[NH3+])cc21 ZINC000602576142 521419877 /nfs/dbraw/zinc/41/98/77/521419877.db2.gz NCDHMXPDLDLNHQ-GFCCVEGCSA-N 1 0 373.434 2.960 20 5 FFBDRO O=C1C[C@@H](C[NH2+]CCc2ccc([N+](=O)[O-])cc2)CN1Cc1ccccc1 ZINC000602579833 521420583 /nfs/dbraw/zinc/42/05/83/521420583.db2.gz KVTTZTUJDJGWNI-SFHVURJKSA-N 1 0 353.422 2.776 20 5 FFBDRO C[NH+](C)CC1CN(C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C1 ZINC000615504869 521423657 /nfs/dbraw/zinc/42/36/57/521423657.db2.gz JLTJAMXEKQMSHN-UHFFFAOYSA-N 1 0 371.387 2.593 20 5 FFBDRO COCC[C@@]1([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CCOC1 ZINC000602638527 521451081 /nfs/dbraw/zinc/45/10/81/521451081.db2.gz VBYPGEVEEYJPJO-GFCCVEGCSA-N 1 0 365.249 2.704 20 5 FFBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594195335 521461612 /nfs/dbraw/zinc/46/16/12/521461612.db2.gz FWGHRDIXEQXOAH-MSOLQXFVSA-N 1 0 356.426 2.752 20 5 FFBDRO COc1ccc(C[C@](C)(O)C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000602667614 521469952 /nfs/dbraw/zinc/46/99/52/521469952.db2.gz QVQNBFVUELIBFT-FQEVSTJZSA-N 1 0 374.437 2.738 20 5 FFBDRO Cc1cccnc1CCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602675269 521473942 /nfs/dbraw/zinc/47/39/42/521473942.db2.gz KKJLTAWUBQTIJT-UHFFFAOYSA-N 1 0 355.442 2.884 20 5 FFBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H]2CNc3ccnn3C2)cc(C(F)(F)F)c1 ZINC000619264495 521480330 /nfs/dbraw/zinc/48/03/30/521480330.db2.gz GYZLLIILTRDOAZ-NSHDSACASA-N 1 0 355.320 2.642 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3COCc4ccccc43)CC2)cn1 ZINC000602694826 521483055 /nfs/dbraw/zinc/48/30/55/521483055.db2.gz KKWJNCXIYZUJEX-GOSISDBHSA-N 1 0 354.410 2.820 20 5 FFBDRO CON1CCC([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602700227 521485042 /nfs/dbraw/zinc/48/50/42/521485042.db2.gz UFXSYMSWZORBRF-UHFFFAOYSA-N 1 0 350.238 2.534 20 5 FFBDRO O=[N+]([O-])c1sc(C[NH2+]CCO[C@@H]2CC2(F)F)cc1Br ZINC000602707751 521489846 /nfs/dbraw/zinc/48/98/46/521489846.db2.gz IQBYBURKAXCMPK-MRVPVSSYSA-N 1 0 357.176 2.933 20 5 FFBDRO Cc1cccc2c1C[C@H]([NH2+]C1CCN(c3ccc([N+](=O)[O-])nc3)CC1)CO2 ZINC000602720221 521495826 /nfs/dbraw/zinc/49/58/26/521495826.db2.gz DXLWFLRFSLGBRJ-INIZCTEOSA-N 1 0 368.437 2.860 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)C1CCN(Cc2ccccc2)CC1 ZINC000602755153 521515549 /nfs/dbraw/zinc/51/55/49/521515549.db2.gz WXVDIYJMGOLUHP-UHFFFAOYSA-N 1 0 357.458 2.696 20 5 FFBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000612286013 521561023 /nfs/dbraw/zinc/56/10/23/521561023.db2.gz URCBRCZYDQLGIN-CYBMUJFWSA-N 1 0 369.874 2.941 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCC1CC[NH+](CC)CC1 ZINC000619638904 521806500 /nfs/dbraw/zinc/80/65/00/521806500.db2.gz IMOUXYQVYXKFOF-UHFFFAOYSA-N 1 0 350.419 2.847 20 5 FFBDRO O=[N+]([O-])c1ccc(NC[C@@H](c2ccco2)[NH+]2CCCC2)cc1-c1nn[nH]n1 ZINC000826498959 607449013 /nfs/dbraw/zinc/44/90/13/607449013.db2.gz PVMACAOTVORASN-HNNXBMFYSA-N 1 0 369.385 2.617 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000826293310 608280146 /nfs/dbraw/zinc/28/01/46/608280146.db2.gz KSLBGLVSGMKNJH-CYBMUJFWSA-N 1 0 368.397 2.813 20 5 FFBDRO C[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1ccc(-c2nn[nH]n2)cc1 ZINC000824598301 608465166 /nfs/dbraw/zinc/46/51/66/608465166.db2.gz DMOHZWPWSUPLFM-GFCCVEGCSA-N 1 0 354.370 2.505 20 5 FFBDRO Cc1ccc([C@H](C)[NH2+]CCOc2ccccc2-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000826283141 608554175 /nfs/dbraw/zinc/55/41/75/608554175.db2.gz LKZAGNZMXFTRIX-ZDUSSCGKSA-N 1 0 368.397 2.813 20 5 FFBDRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncc([N+](=O)[O-])c(C)c1C)C2 ZINC001164811790 720125979 /nfs/dbraw/zinc/12/59/79/720125979.db2.gz NJYZLIAPHYSQRG-YLJYHZDGSA-N 1 0 374.485 2.791 20 5 FFBDRO CC(C)[N@H+]1[C@@H]2CCN(c3cccc([N+](=O)[O-])n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164832950 720519262 /nfs/dbraw/zinc/51/92/62/720519262.db2.gz CCNMASFKISGJEX-IXDOHACOSA-N 1 0 370.457 2.564 20 5 FFBDRO O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001165046096 721971098 /nfs/dbraw/zinc/97/10/98/721971098.db2.gz BBAKGDCUVRBETI-CYBMUJFWSA-N 1 0 354.838 2.726 20 5 FFBDRO O=[N+]([O-])c1ccc2ccnc(N3CC[NH+](CCc4ccccn4)CC3)c2c1 ZINC001165055081 722016240 /nfs/dbraw/zinc/01/62/40/722016240.db2.gz CDMDMAIFVCZRRB-UHFFFAOYSA-N 1 0 363.421 2.903 20 5 FFBDRO O=[N+]([O-])c1ccc2c(ccnc2N2CC[NH+](CCc3ccccn3)CC2)c1 ZINC001165055276 722020280 /nfs/dbraw/zinc/02/02/80/722020280.db2.gz OIOURHMZIPFSHA-UHFFFAOYSA-N 1 0 363.421 2.903 20 5 FFBDRO C[N@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CCC(CO)CC1 ZINC000156261426 728846681 /nfs/dbraw/zinc/84/66/81/728846681.db2.gz LVLYHWQGQIOCOP-UHFFFAOYSA-N 1 0 355.822 2.670 20 5 FFBDRO C[NH+](C)C1(CNC(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)CC1 ZINC000897989061 735300592 /nfs/dbraw/zinc/30/05/92/735300592.db2.gz FKQSGIYRHRRAJM-UHFFFAOYSA-N 1 0 350.177 2.865 20 5 FFBDRO C[C@@H]1C[NH+](CCCNC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000043331374 727968993 /nfs/dbraw/zinc/96/89/93/727968993.db2.gz WNDKRKMYZGXEEE-VXGBXAGGSA-N 1 0 370.837 2.869 20 5 FFBDRO C[C@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000053698536 728082949 /nfs/dbraw/zinc/08/29/49/728082949.db2.gz SAYBZGLZUXZJFG-LBPRGKRZSA-N 1 0 373.450 2.523 20 5 FFBDRO CON(C)C(=O)[C@H](CCSC)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000090462408 728450531 /nfs/dbraw/zinc/45/05/31/728450531.db2.gz BDRANMUUQXICRH-OCCSQVGLSA-N 1 0 355.460 2.695 20 5 FFBDRO CCC[NH+]1CCC(N(C)CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000109787085 728529114 /nfs/dbraw/zinc/52/91/14/728529114.db2.gz WQYSORYYRSYTHZ-UHFFFAOYSA-N 1 0 368.865 2.993 20 5 FFBDRO CCC[N@H+](CC)CCNC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000174638299 729075690 /nfs/dbraw/zinc/07/56/90/729075690.db2.gz CGQIIKRSMFLWCV-UHFFFAOYSA-N 1 0 352.391 2.582 20 5 FFBDRO C[NH+](C)[C@@]1(CNC(=O)c2cc([N+](=O)[O-])cc3ccccc32)CCSC1 ZINC000859856028 730467498 /nfs/dbraw/zinc/46/74/98/730467498.db2.gz YIBDCUHZDVGVIQ-GOSISDBHSA-N 1 0 359.451 2.915 20 5 FFBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[NH+](CCCF)CC1 ZINC000860009897 730472647 /nfs/dbraw/zinc/47/26/47/730472647.db2.gz GKROYDCXOVJQKN-GFCCVEGCSA-N 1 0 372.828 2.552 20 5 FFBDRO O=C(c1cccc([N+](=O)[O-])c1Cl)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000860095994 730475892 /nfs/dbraw/zinc/47/58/92/730475892.db2.gz INWPVKZFLXDSPF-CYBMUJFWSA-N 1 0 367.833 2.575 20 5 FFBDRO C[C@H](C[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1)NC(=O)OC(C)(C)C ZINC000860098749 730476127 /nfs/dbraw/zinc/47/61/27/730476127.db2.gz QIOJYPVACJVFIQ-CYBMUJFWSA-N 1 0 353.419 2.819 20 5 FFBDRO CS[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2Cl)C[C@@H]1[NH+]1CCCC1 ZINC000860788837 730547466 /nfs/dbraw/zinc/54/74/66/730547466.db2.gz VJZPPTBYDXMMHN-KBPBESRZSA-N 1 0 369.874 2.900 20 5 FFBDRO CO[C@@H]1C[N@H+](C)[C@](C)(COC(=O)c2cc(SC)ccc2[N+](=O)[O-])C1 ZINC000861343848 730601212 /nfs/dbraw/zinc/60/12/12/730601212.db2.gz LODGZZVCIABZGK-ZBEGNZNMSA-N 1 0 354.428 2.583 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(Cl)cc1N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000863477472 730784999 /nfs/dbraw/zinc/78/49/99/730784999.db2.gz NAMBFOPUJNYDMC-LBPRGKRZSA-N 1 0 357.813 2.982 20 5 FFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000866394570 731054625 /nfs/dbraw/zinc/05/46/25/731054625.db2.gz WIFPPWYPKSSZIV-CHWSQXEVSA-N 1 0 351.422 2.902 20 5 FFBDRO COCCN(CC1CC[NH+](C)CC1)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000869769435 731437896 /nfs/dbraw/zinc/43/78/96/731437896.db2.gz ZMYUDBRRXNJVRT-UHFFFAOYSA-N 1 0 369.849 2.679 20 5 FFBDRO CC1(C)C[NH2+]CC[C@H](NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000872276462 731747928 /nfs/dbraw/zinc/74/79/28/731747928.db2.gz XTEITVVVHDQHEK-NSHDSACASA-N 1 0 357.813 2.824 20 5 FFBDRO C[C@H]1CN(c2cc(Br)ccc2[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC000780655011 738566044 /nfs/dbraw/zinc/56/60/44/738566044.db2.gz NNJQBSHDMSXRQV-NSHDSACASA-N 1 0 372.263 2.639 20 5 FFBDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000874830732 732104671 /nfs/dbraw/zinc/10/46/71/732104671.db2.gz SSOOZDBWODIGQO-UONOGXRCSA-N 1 0 355.797 2.625 20 5 FFBDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000874839386 732106230 /nfs/dbraw/zinc/10/62/30/732106230.db2.gz VUGGBBUYMZQSCG-UONOGXRCSA-N 1 0 368.231 2.666 20 5 FFBDRO [NH3+]C[C@@H]1CN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CC[C@H]1C(F)(F)F ZINC000877016809 732312863 /nfs/dbraw/zinc/31/28/63/732312863.db2.gz ICNQMMUQTUUFFH-PSASIEDQSA-N 1 0 365.739 2.848 20 5 FFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CCc3nc(C(F)(F)F)cs3)C2)c1 ZINC000877064967 732319934 /nfs/dbraw/zinc/31/99/34/732319934.db2.gz VDBGFKOMHCVTPF-UHFFFAOYSA-N 1 0 361.349 2.802 20 5 FFBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877279216 732339864 /nfs/dbraw/zinc/33/98/64/732339864.db2.gz XIRIFAZJZLHZBT-RYUDHWBXSA-N 1 0 355.847 2.693 20 5 FFBDRO O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877283345 732340413 /nfs/dbraw/zinc/34/04/13/732340413.db2.gz WDMODYBIHWKOHZ-UKRRQHHQSA-N 1 0 358.423 2.685 20 5 FFBDRO COC(=O)C1=CC[C@H]([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000877651529 732406053 /nfs/dbraw/zinc/40/60/53/732406053.db2.gz JJXHHRSXGVYZPT-QMMMGPOBSA-N 1 0 361.217 2.770 20 5 FFBDRO COC[C@@H]1CC[N@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC000878123034 732486233 /nfs/dbraw/zinc/48/62/33/732486233.db2.gz OTBSALJHUJFFQO-SNVBAGLBSA-N 1 0 352.778 2.767 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2CC=CC[C@H]2C(F)(F)F)c1 ZINC000879667822 732747694 /nfs/dbraw/zinc/74/76/94/732747694.db2.gz UCLYKMPKQMOSRL-BPLDGKMQSA-N 1 0 360.332 2.821 20 5 FFBDRO O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000881470334 733058952 /nfs/dbraw/zinc/05/89/52/733058952.db2.gz RMOMPHHBURKCBZ-CYBMUJFWSA-N 1 0 367.833 2.621 20 5 FFBDRO CC(C)(C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])CS(C)(=O)=O ZINC000926954577 738673512 /nfs/dbraw/zinc/67/35/12/738673512.db2.gz VDPYMRJRXMBKDJ-GDBMZVCRSA-N 1 0 368.499 2.966 20 5 FFBDRO CC(C)[C@@H](C(=O)NCc1ccc(Br)cc1[N+](=O)[O-])[NH+](C)C ZINC000881863574 733122466 /nfs/dbraw/zinc/12/24/66/733122466.db2.gz BWXULCSXQWKDIH-ZDUSSCGKSA-N 1 0 358.236 2.560 20 5 FFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000927041697 738685123 /nfs/dbraw/zinc/68/51/23/738685123.db2.gz PDIBYASLOHXHSJ-OHRKKDJYSA-N 1 0 352.456 2.614 20 5 FFBDRO COc1cc(N2CCC[C@@H]([NH2+]C3CCOCC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000882728499 733281057 /nfs/dbraw/zinc/28/10/57/733281057.db2.gz ZTVJAMVIZHSEKC-CYBMUJFWSA-N 1 0 369.849 2.994 20 5 FFBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC[C@H]1CCCS1(=O)=O ZINC000883309863 733367000 /nfs/dbraw/zinc/36/70/00/733367000.db2.gz WCKBJXLNDXDOTE-WCQYABFASA-N 1 0 358.485 2.935 20 5 FFBDRO O=C(CC[N@@H+]1CCC[C@H]2COCC[C@H]21)Nc1cc([N+](=O)[O-])ccc1F ZINC000782510384 738728804 /nfs/dbraw/zinc/72/88/04/738728804.db2.gz HTLDPQVDFXYEGH-BLLLJJGKSA-N 1 0 351.378 2.563 20 5 FFBDRO C[C@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)c1cncc(F)c1 ZINC000782531169 738731133 /nfs/dbraw/zinc/73/11/33/738731133.db2.gz RIJFRVDWGBKTBF-JTQLQIEISA-N 1 0 350.325 2.947 20 5 FFBDRO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886118836 733751776 /nfs/dbraw/zinc/75/17/76/733751776.db2.gz QMLUNAXISUUWEY-QWHCGFSZSA-N 1 0 350.419 2.725 20 5 FFBDRO O=C(CC[N@@H+]1CC[C@H]([C@H]2CCCO2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000886822464 733843719 /nfs/dbraw/zinc/84/37/19/733843719.db2.gz QRUJSEVMMKLXPF-BLLLJJGKSA-N 1 0 351.378 2.563 20 5 FFBDRO CC[NH+]1CCC(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)(C(F)(F)F)CC1 ZINC000891208467 734396342 /nfs/dbraw/zinc/39/63/42/734396342.db2.gz WYVIVAGSIDVAJK-UHFFFAOYSA-N 1 0 363.311 2.881 20 5 FFBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1CC[NH2+]CCC12CCC2 ZINC000891758729 734472762 /nfs/dbraw/zinc/47/27/62/734472762.db2.gz UXGBPSZWICJNDD-UHFFFAOYSA-N 1 0 366.849 2.718 20 5 FFBDRO CC(C)[NH2+]CCCNC(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000891987544 734504384 /nfs/dbraw/zinc/50/43/84/734504384.db2.gz BSNLNTVQYGHRGY-UHFFFAOYSA-N 1 0 373.251 2.545 20 5 FFBDRO O=[N+]([O-])c1ccc(CNC2CC[NH+](C[C@H]3CCCO3)CC2)cc1Cl ZINC000783628807 738821228 /nfs/dbraw/zinc/82/12/28/738821228.db2.gz MFNFCUWWQRNSSE-OAHLLOKOSA-N 1 0 353.850 2.981 20 5 FFBDRO C[C@]1(NC(=O)c2ccc([N+](=O)[O-])cc2Br)C[NH+]2CCC1CC2 ZINC000892782133 734602644 /nfs/dbraw/zinc/60/26/44/734602644.db2.gz ULMXWHARCDVIKR-HNNXBMFYSA-N 1 0 368.231 2.571 20 5 FFBDRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000894048513 734793115 /nfs/dbraw/zinc/79/31/15/734793115.db2.gz ZGGTVGPRGYJEQO-CABCVRRESA-N 1 0 366.849 2.669 20 5 FFBDRO CO[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000733328931 734809683 /nfs/dbraw/zinc/80/96/83/734809683.db2.gz HUDWDYUHFNJZPF-ZDUSSCGKSA-N 1 0 358.320 2.662 20 5 FFBDRO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)c1cc([N+](=O)[O-])ccc1Cl ZINC000734242410 734884991 /nfs/dbraw/zinc/88/49/91/734884991.db2.gz DRCSSXHAWWXUGU-CQSZACIVSA-N 1 0 367.833 2.621 20 5 FFBDRO CC[C@H](COCC(F)(F)F)[NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000894666005 734897946 /nfs/dbraw/zinc/89/79/46/734897946.db2.gz DPFUVXDGOUZZNA-SNVBAGLBSA-N 1 0 352.309 2.756 20 5 FFBDRO CC(C)[C@@H](C[NH+](C)C)NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000739730257 735058139 /nfs/dbraw/zinc/05/81/39/735058139.db2.gz BNLYQVJDVRCKTM-CYBMUJFWSA-N 1 0 358.236 2.673 20 5 FFBDRO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000741242680 735126713 /nfs/dbraw/zinc/12/67/13/735126713.db2.gz RKYACTZMJFMAGQ-GFCCVEGCSA-N 1 0 353.394 2.689 20 5 FFBDRO O=[N+]([O-])c1ccccc1C[NH2+]CC1(OCCO)CCC(C(F)F)CC1 ZINC000897539764 735244302 /nfs/dbraw/zinc/24/43/02/735244302.db2.gz SCIVGISPEDEYDC-UHFFFAOYSA-N 1 0 358.385 2.887 20 5 FFBDRO Cc1cc(N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)nc(N)[nH+]1 ZINC000750608320 735803281 /nfs/dbraw/zinc/80/32/81/735803281.db2.gz SFEQPZKZEWXZGO-UHFFFAOYSA-N 1 0 364.203 2.601 20 5 FFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC[C@@H]1CC(=O)N(C)C1 ZINC000903216234 736056821 /nfs/dbraw/zinc/05/68/21/736056821.db2.gz XJCMARMKIAHMAI-KGLIPLIRSA-N 1 0 351.472 2.924 20 5 FFBDRO COc1cc([C@@H](C)[NH2+]CC2CCC(S(C)(=O)=O)CC2)cc([N+](=O)[O-])c1 ZINC000903218600 736057284 /nfs/dbraw/zinc/05/72/84/736057284.db2.gz CAYCXSTYSHRECI-SFYCDEOASA-N 1 0 370.471 2.857 20 5 FFBDRO COc1cc([C@@H](C)[NH2+]C[C@@H]2CCC3(CCOCC3)O2)cc([N+](=O)[O-])c1 ZINC000903226708 736060016 /nfs/dbraw/zinc/06/00/16/736060016.db2.gz MGOQTDBXWRNICK-CJNGLKHVSA-N 1 0 350.415 2.982 20 5 FFBDRO C[C@@H]([NH2+]Cc1cccc(N(C)S(C)(=O)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000903422794 736090674 /nfs/dbraw/zinc/09/06/74/736090674.db2.gz RPTVFOMDGRMDTE-CYBMUJFWSA-N 1 0 363.439 2.841 20 5 FFBDRO C[C@H]1C[NH+](CCCCNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000754613917 736179935 /nfs/dbraw/zinc/17/99/35/736179935.db2.gz KQDJJGADFFBKSS-STQMWFEESA-N 1 0 352.391 2.804 20 5 FFBDRO C[N@@H+]1CCC[C@@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 ZINC000754968994 736219901 /nfs/dbraw/zinc/21/99/01/736219901.db2.gz UEAHEVSONSWNBQ-VIFPVBQESA-N 1 0 374.210 2.568 20 5 FFBDRO C[C@@H]1CN(C(=S)Nc2ccc([N+](=O)[O-])cc2)CCN1c1cc[nH+]cc1 ZINC000905521725 736350702 /nfs/dbraw/zinc/35/07/02/736350702.db2.gz FBUGHLRCEGAKNB-CYBMUJFWSA-N 1 0 357.439 2.897 20 5 FFBDRO C[NH+](C)CC(C)(C)CNC(=S)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000756792665 736361382 /nfs/dbraw/zinc/36/13/82/736361382.db2.gz ZCADPUJIUBLULD-UHFFFAOYSA-N 1 0 358.895 2.800 20 5 FFBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000756967375 736378438 /nfs/dbraw/zinc/37/84/38/736378438.db2.gz WMLCUEHUXMKLDT-STQMWFEESA-N 1 0 352.822 2.674 20 5 FFBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC000906969752 736566659 /nfs/dbraw/zinc/56/66/59/736566659.db2.gz BETJTCRYMZUSDD-BDJLRTHQSA-N 1 0 351.834 2.780 20 5 FFBDRO C[C@H](NC(=O)CCc1ccc([N+](=O)[O-])cc1Cl)C1=CC[N@H+](C)CC1 ZINC000907281270 736606108 /nfs/dbraw/zinc/60/61/08/736606108.db2.gz HNMUHILGMFTTNO-LBPRGKRZSA-N 1 0 351.834 2.947 20 5 FFBDRO C[NH+]1CCC(CNC(=S)NCc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000760496231 736644998 /nfs/dbraw/zinc/64/49/98/736644998.db2.gz NJPAUQTYPKSIBY-UHFFFAOYSA-N 1 0 356.879 2.554 20 5 FFBDRO C[NH+]1CCC2(CCN2C(=O)c2cccc([N+](=O)[O-])c2Br)CC1 ZINC000760840125 736673150 /nfs/dbraw/zinc/67/31/50/736673150.db2.gz ZKTLAKJKAQBDCX-UHFFFAOYSA-N 1 0 368.231 2.668 20 5 FFBDRO C[C@@H]1C[N@H+](CCCNC(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)CCCO1 ZINC000763787464 736968447 /nfs/dbraw/zinc/96/84/47/736968447.db2.gz VYELAGXMJJRSFY-GFCCVEGCSA-N 1 0 370.837 2.871 20 5 FFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@](C)(O)c1cccs1 ZINC000766114994 737196394 /nfs/dbraw/zinc/19/63/94/737196394.db2.gz IAFWHOUMBMIRED-YVEFUNNKSA-N 1 0 363.439 2.871 20 5 FFBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccc(Br)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000766557967 737242064 /nfs/dbraw/zinc/24/20/64/737242064.db2.gz XEXIGWVVAVIASH-WDEREUQCSA-N 1 0 370.247 2.912 20 5 FFBDRO C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2Cl)CCN1c1cc[nH+]cc1 ZINC000915260712 737619091 /nfs/dbraw/zinc/61/90/91/737619091.db2.gz CCTXAEPSLQKKQX-GFCCVEGCSA-N 1 0 360.801 2.994 20 5 FFBDRO CON(C)C(=O)[C@H](CCSC)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000773054710 737866873 /nfs/dbraw/zinc/86/68/73/737866873.db2.gz XCTQJVLOSORRNN-DOMZBBRYSA-N 1 0 355.460 2.695 20 5 FFBDRO COCC[C@@]1([NH2+]Cc2ccc(Br)c([N+](=O)[O-])c2)CCOC1 ZINC000775034997 738055516 /nfs/dbraw/zinc/05/55/16/738055516.db2.gz WFPZUBBSGJEUDB-CQSZACIVSA-N 1 0 359.220 2.643 20 5 FFBDRO COCC[NH2+]C1CCN(Cc2cc([N+](=O)[O-])ccc2Br)CC1 ZINC000923387655 738278362 /nfs/dbraw/zinc/27/83/62/738278362.db2.gz JJQYTGXNMQTFSF-UHFFFAOYSA-N 1 0 372.263 2.558 20 5 FFBDRO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000785547485 738976133 /nfs/dbraw/zinc/97/61/33/738976133.db2.gz YVVDULVJDZARHN-HSMVNMDESA-N 1 0 353.394 2.544 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000930318030 739086371 /nfs/dbraw/zinc/08/63/71/739086371.db2.gz ZPSUHYLPKYMRNA-DZGCQCFKSA-N 1 0 364.471 2.913 20 5 FFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H]([NH+](C)C)[C@@H]1C ZINC000931041463 739203179 /nfs/dbraw/zinc/20/31/79/739203179.db2.gz CZBULVRZFYYARL-RWSFTLGLSA-N 1 0 354.838 2.600 20 5 FFBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC(C)([NH+](C)C)CC1 ZINC000931352634 739249710 /nfs/dbraw/zinc/24/97/10/739249710.db2.gz DOSHDKIILVTSCM-LBPRGKRZSA-N 1 0 368.865 2.991 20 5 FFBDRO CC(C)(C)OC[C@H]1CCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000932166966 739397296 /nfs/dbraw/zinc/39/72/96/739397296.db2.gz GKKRTJNQOVZRDE-CABCVRRESA-N 1 0 352.431 2.614 20 5 FFBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000790556411 739469243 /nfs/dbraw/zinc/46/92/43/739469243.db2.gz GDBKJTQHYZVAOG-NEPJUHHUSA-N 1 0 357.813 2.919 20 5 FFBDRO CCOC(=O)C1([C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000933884428 739701004 /nfs/dbraw/zinc/70/10/04/739701004.db2.gz DOKMIMIPZAIGKI-KBPBESRZSA-N 1 0 350.415 2.994 20 5 FFBDRO O=[N+]([O-])c1ccc(Br)c2c1CN(CCC1OCCCO1)CC2 ZINC000792896261 739716344 /nfs/dbraw/zinc/71/63/44/739716344.db2.gz FOWMLUQXYRZXIK-UHFFFAOYSA-N 1 0 371.231 2.869 20 5 FFBDRO O=C(C[N@H+]1CCCCC[C@H]1CCO)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000792926873 739719492 /nfs/dbraw/zinc/71/94/92/739719492.db2.gz OIEPSTJTDVZZHS-ZDUSSCGKSA-N 1 0 355.822 2.814 20 5 FFBDRO O=C(C[NH2+][C@@H]1CCOC12CCCC2)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000934393345 739780457 /nfs/dbraw/zinc/78/04/57/739780457.db2.gz SURFNLZOJFZUGY-CQSZACIVSA-N 1 0 353.806 2.878 20 5 FFBDRO CC(C)[NH+]1CCC(NC(=O)COc2cc(F)c([N+](=O)[O-])cc2Cl)CC1 ZINC000795263343 739992283 /nfs/dbraw/zinc/99/22/83/739992283.db2.gz BPVNLSMLAMENJB-UHFFFAOYSA-N 1 0 373.812 2.755 20 5 FFBDRO CCOc1cc(C(=O)OCCC[NH+]2CCCC2)c([N+](=O)[O-])cc1OC ZINC000800104395 740486385 /nfs/dbraw/zinc/48/63/85/740486385.db2.gz ZDSAUKFRZODAHV-UHFFFAOYSA-N 1 0 352.387 2.645 20 5 FFBDRO CC(C)[N@@H+]1CCO[C@@H](COC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)C1 ZINC000802140871 740677596 /nfs/dbraw/zinc/67/75/96/740677596.db2.gz MOCWKRXMIYATQV-UKRRQHHQSA-N 1 0 368.455 2.728 20 5 FFBDRO CS[C@H]1CN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000804622366 740889873 /nfs/dbraw/zinc/88/98/73/740889873.db2.gz CMIKXFHFUMPQPD-KGLIPLIRSA-N 1 0 352.416 2.519 20 5 FFBDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000809916621 741360624 /nfs/dbraw/zinc/36/06/24/741360624.db2.gz QDYCJERAROBCNH-NSHDSACASA-N 1 0 370.837 2.557 20 5 FFBDRO C[N@H+](Cc1ccc(F)cc1Cl)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985431967 741395278 /nfs/dbraw/zinc/39/52/78/741395278.db2.gz VALXXHPVEUIDRQ-GDBMZVCRSA-N 1 0 369.824 2.567 20 5 FFBDRO CSC1(CNC(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)CC[NH+](C)CC1 ZINC000810880520 741458454 /nfs/dbraw/zinc/45/84/54/741458454.db2.gz JTTVCJWCTAOVIW-WYMLVPIESA-N 1 0 363.483 2.942 20 5 FFBDRO CSC1(CNC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CC[NH+](C)CC1 ZINC000811933113 741575360 /nfs/dbraw/zinc/57/53/60/741575360.db2.gz BKMJBPMDOFBIKD-UHFFFAOYSA-N 1 0 373.425 2.630 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000814910273 741874335 /nfs/dbraw/zinc/87/43/35/741874335.db2.gz YHVUABDNZXQRMW-KRWDZBQOSA-N 1 0 367.833 2.957 20 5 FFBDRO CCOC(=O)N[C@H](C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)CC(C)C ZINC000815557101 741945140 /nfs/dbraw/zinc/94/51/40/741945140.db2.gz MEVIHFMSBCBZBY-OCCSQVGLSA-N 1 0 352.435 2.988 20 5 FFBDRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000818476770 742273533 /nfs/dbraw/zinc/27/35/33/742273533.db2.gz XTGFLNCFTDBXAZ-YOGCLGLASA-N 1 0 355.797 2.801 20 5 FFBDRO C[C@]1(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1(Cl)Cl ZINC000819346970 742379440 /nfs/dbraw/zinc/37/94/40/742379440.db2.gz IULPEPZREMZGHJ-GFCCVEGCSA-N 1 0 367.254 2.542 20 5 FFBDRO CC(C)(CCC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)[N+](=O)[O-] ZINC000822883320 742796749 /nfs/dbraw/zinc/79/67/49/742796749.db2.gz AAHKYJDWMQRKKU-AWEZNQCLSA-N 1 0 353.488 2.912 20 5 FFBDRO C[NH+](C)CC1(C(=O)N[C@@H](c2cccc([N+](=O)[O-])c2F)C(F)(F)F)CC1 ZINC000823594638 742942376 /nfs/dbraw/zinc/94/23/76/742942376.db2.gz VHYHTHDOVFZNJU-LBPRGKRZSA-N 1 0 363.311 2.795 20 5 FFBDRO C[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C[C@H](C)[N@H+]1CCO ZINC000824926499 743179132 /nfs/dbraw/zinc/17/91/32/743179132.db2.gz PRLHUKFIPKKMIY-PHIMTYICSA-N 1 0 362.257 2.789 20 5 FFBDRO Cn1nccc1[C@@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CCO1 ZINC000825046822 743200971 /nfs/dbraw/zinc/20/09/71/743200971.db2.gz YGWALANRRUUZDW-WBMJQRKESA-N 1 0 350.806 2.992 20 5 FFBDRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000825179066 743222905 /nfs/dbraw/zinc/22/29/05/743222905.db2.gz LEBWYPTUCKVNMS-NSHDSACASA-N 1 0 374.210 2.614 20 5 FFBDRO Cn1ccnc1[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CCO1 ZINC000825325594 743248327 /nfs/dbraw/zinc/24/83/27/743248327.db2.gz FWXAPLLSMXBGAV-ZFWWWQNUSA-N 1 0 350.806 2.992 20 5 FFBDRO Cn1ccnc1[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CCO1 ZINC000825327494 743249347 /nfs/dbraw/zinc/24/93/47/743249347.db2.gz SNSCQGQJXCRKRS-SWLSCSKDSA-N 1 0 350.806 2.992 20 5 FFBDRO COCC[N@H+]1[C@H](C)CN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C[C@@H]1C ZINC000826633831 743411592 /nfs/dbraw/zinc/41/15/92/743411592.db2.gz VAELLQIFJMDPIS-TXEJJXNPSA-N 1 0 359.373 2.742 20 5 FFBDRO Cc1cc(Cl)c(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000826928590 743472437 /nfs/dbraw/zinc/47/24/37/743472437.db2.gz GZYLAXYODPNJTD-CYBMUJFWSA-N 1 0 367.833 2.540 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CC[N@@H+](C2CC2)C[C@H](C)C1 ZINC000828264101 745049275 /nfs/dbraw/zinc/04/92/75/745049275.db2.gz XELPIPHPDORNLP-NSHDSACASA-N 1 0 367.833 2.955 20 5 FFBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(C(F)(F)F)ccc3[N+](=O)[O-])C[C@@H]2C1 ZINC000832226817 745659779 /nfs/dbraw/zinc/65/97/79/745659779.db2.gz YWHCFWHFASFDPO-MNOVXSKESA-N 1 0 357.332 2.637 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(C(=O)NCCCC[N@@H+]2CCC[C@H]2CO)cc1Cl ZINC000836780081 746304420 /nfs/dbraw/zinc/30/44/20/746304420.db2.gz VQJYXHBNUYFTLL-ZDUSSCGKSA-N 1 0 369.849 2.523 20 5 FFBDRO CN(C(=O)CCC(C)(C)[N+](=O)[O-])C1CC[NH+](CCC(F)(F)F)CC1 ZINC000837183993 746387124 /nfs/dbraw/zinc/38/71/24/746387124.db2.gz RCWGDBSATCTJFL-UHFFFAOYSA-N 1 0 353.385 2.697 20 5 FFBDRO CC(C)(C)OC(=O)[C@@]1(C)CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000839105066 746775891 /nfs/dbraw/zinc/77/58/91/746775891.db2.gz OEICIYCKWSHDSF-QAPCUYQASA-N 1 0 350.415 2.682 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(C(=O)Nc2ccnn2CC[NH+](C)C)cc1Cl ZINC000839392252 746821525 /nfs/dbraw/zinc/82/15/25/746821525.db2.gz FLVSVMKGOLGVGZ-UHFFFAOYSA-N 1 0 351.794 2.567 20 5 FFBDRO C[N@H+](CCCCNC(=O)c1ccc(Br)c([N+](=O)[O-])c1)C1CC1 ZINC000839440000 746828594 /nfs/dbraw/zinc/82/85/94/746828594.db2.gz YOPCEIDJJDJVRY-UHFFFAOYSA-N 1 0 370.247 2.962 20 5 FFBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000839440613 746828745 /nfs/dbraw/zinc/82/87/45/746828745.db2.gz XCDLASWANXPZGV-LBPRGKRZSA-N 1 0 370.247 2.912 20 5 FFBDRO C[C@@H]1CN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)[C@@H](C)C[NH2+]1 ZINC000841160656 747283723 /nfs/dbraw/zinc/28/37/23/747283723.db2.gz DBRMCGALIGRFQF-BDAKNGLRSA-N 1 0 357.208 2.571 20 5 FFBDRO CC1(C)[NH2+]CC[C@@H]1NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841161165 747284460 /nfs/dbraw/zinc/28/44/60/747284460.db2.gz KPURWQDBSFPJLE-NSHDSACASA-N 1 0 357.208 2.619 20 5 FFBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000841858798 747477769 /nfs/dbraw/zinc/47/77/69/747477769.db2.gz VBSDYTUVBXGSQR-CYBMUJFWSA-N 1 0 366.849 2.779 20 5 FFBDRO [NH3+]C[C@H](NCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C1CCCCC1 ZINC000842476240 747613225 /nfs/dbraw/zinc/61/32/25/747613225.db2.gz JZYMULIIEUYMBE-AWEZNQCLSA-N 1 0 354.838 2.684 20 5 FFBDRO C[NH2+]C[C@@H](C)c1noc(CSCc2ccc(OC)c([N+](=O)[O-])c2)n1 ZINC000842578861 747631343 /nfs/dbraw/zinc/63/13/43/747631343.db2.gz JPPSBXGPGGDEBD-SNVBAGLBSA-N 1 0 352.416 2.743 20 5 FFBDRO COc1ccc(CSCc2nc([C@H]3CCC[NH2+]C3)no2)cc1[N+](=O)[O-] ZINC000842666723 747654199 /nfs/dbraw/zinc/65/41/99/747654199.db2.gz YYLBJLNLWVPYHV-LBPRGKRZSA-N 1 0 364.427 2.887 20 5 FFBDRO CC(C)[N@@H+]1CCC[C@@H](COC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000842836754 747703100 /nfs/dbraw/zinc/70/31/00/747703100.db2.gz RFHPYRJWBCHQQN-GFCCVEGCSA-N 1 0 350.371 2.601 20 5 FFBDRO [NH3+]CCCCCCNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000843512193 747846727 /nfs/dbraw/zinc/84/67/27/747846727.db2.gz SFSYTQSLGWZGAG-UHFFFAOYSA-N 1 0 358.236 2.535 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(Cl)cc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000845530355 748277820 /nfs/dbraw/zinc/27/78/20/748277820.db2.gz LSECOGLQURRUHW-LBPRGKRZSA-N 1 0 357.813 2.936 20 5 FFBDRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000846699053 748526159 /nfs/dbraw/zinc/52/61/59/748526159.db2.gz KNKIYRIWPPAYQZ-KCXAZCMYSA-N 1 0 367.833 2.749 20 5 FFBDRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)C2)C1 ZINC000846719373 748529265 /nfs/dbraw/zinc/52/92/65/748529265.db2.gz WQBMTHDTTVGMNF-ZENOOKHLSA-N 1 0 367.833 2.607 20 5 FFBDRO C[N@H+](CCCCNC(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000848590602 748968624 /nfs/dbraw/zinc/96/86/24/748968624.db2.gz FSNKXFOHGBRGHU-UHFFFAOYSA-N 1 0 357.357 2.557 20 5 FFBDRO O=[N+]([O-])c1ccc(CN2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1Cl ZINC000848929859 749037532 /nfs/dbraw/zinc/03/75/32/749037532.db2.gz KKHKDVACUMRDQK-OAHLLOKOSA-N 1 0 353.850 2.935 20 5 FFBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC000850396179 749359519 /nfs/dbraw/zinc/35/95/19/749359519.db2.gz RCGPJZISLRXYDC-IAGOWNOFSA-N 1 0 365.861 2.981 20 5 FFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC[S@](=O)CC(F)(F)F ZINC000850490966 749372900 /nfs/dbraw/zinc/37/29/00/749372900.db2.gz JGATYMIMGHOBLC-BGJPBQGDSA-N 1 0 352.378 2.817 20 5 FFBDRO CCOc1ccc([C@H](C)[NH2+]CC[S@@](=O)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000850495382 749375635 /nfs/dbraw/zinc/37/56/35/749375635.db2.gz CQXSWUIHYOFJMZ-CCGUKBGLSA-N 1 0 368.377 2.955 20 5 FFBDRO CC[N@@H+]1CCCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000852167702 749791692 /nfs/dbraw/zinc/79/16/92/749791692.db2.gz YVKVIQSHWSUYAJ-GFCCVEGCSA-N 1 0 354.838 2.603 20 5 FFBDRO CCOC(=O)[C@@H]1CC[C@H](C)[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC000852204662 749802562 /nfs/dbraw/zinc/80/25/62/749802562.db2.gz UVHCWENKUNGRBX-IXKJSCDLSA-N 1 0 350.415 2.680 20 5 FFBDRO C[C@@H]1CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@@H]1CCO ZINC000852463429 749867354 /nfs/dbraw/zinc/86/73/54/749867354.db2.gz VXGXOPGPQGRJQD-MLGOLLRUSA-N 1 0 353.394 2.545 20 5 FFBDRO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC000895890081 971046876 /nfs/dbraw/zinc/04/68/76/971046876.db2.gz CMQSVTGLYCJYBX-NSHDSACASA-N 1 0 372.351 2.847 20 5 FFBDRO COc1cc(CN2CC[C@H]([NH+](C)C)[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000931043911 971613414 /nfs/dbraw/zinc/61/34/14/971613414.db2.gz RQLOUFSPFVWZHP-AAEUAGOBSA-N 1 0 373.400 2.772 20 5 FFBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)C1 ZINC000896755316 971692897 /nfs/dbraw/zinc/69/28/97/971692897.db2.gz KGMPQEZFBMSPON-ZDUSSCGKSA-N 1 0 356.426 2.744 20 5 FFBDRO COc1ccccc1[C@@H]1C[NH2+]CCN1CCOc1ccccc1[N+](=O)[O-] ZINC000262315401 971791809 /nfs/dbraw/zinc/79/18/09/971791809.db2.gz ZQUMTMYTRLTJCX-KRWDZBQOSA-N 1 0 357.410 2.629 20 5 FFBDRO O=[N+]([O-])c1ccc2ncc(N3C[C@H]4C[NH2+]C[C@@]4(c4ccccc4)C3)nc2c1 ZINC001167205887 960400234 /nfs/dbraw/zinc/40/02/34/960400234.db2.gz NFZFKSSQUVFVLF-QRWLVFNGSA-N 1 0 361.405 2.515 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)ncnc2N1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001167208337 960405798 /nfs/dbraw/zinc/40/57/98/960405798.db2.gz QVEOFPTVXWKJQL-QRWLVFNGSA-N 1 0 361.405 2.515 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000872281720 1013200752 /nfs/dbraw/zinc/20/07/52/1013200752.db2.gz YLIOHUBPBWPKIM-NVXWUHKLSA-N 1 0 364.442 2.758 20 5 FFBDRO CC1(C)CC[NH2+]CCN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000872291763 1013202345 /nfs/dbraw/zinc/20/23/45/1013202345.db2.gz GVGMKANQOOLXOB-UHFFFAOYSA-N 1 0 363.461 2.755 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC3(C2)C[NH+](Cc2ccccc2)C3)c1 ZINC000706166656 961051947 /nfs/dbraw/zinc/05/19/47/961051947.db2.gz QSYLULFCXGOFIH-UHFFFAOYSA-N 1 0 367.405 2.704 20 5 FFBDRO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000050901259 963626799 /nfs/dbraw/zinc/62/67/99/963626799.db2.gz KIGRZDVNIPSQNU-GJZGRUSLSA-N 1 0 373.457 2.919 20 5 FFBDRO O=C(NC1(C[NH2+]CCc2ccccc2Cl)CCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001269545452 964195599 /nfs/dbraw/zinc/19/55/99/964195599.db2.gz QEWOOIRDTFGKAJ-GDBMZVCRSA-N 1 0 365.861 2.566 20 5 FFBDRO CC(C)(CNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)[NH+]1CCCCC1 ZINC000121659094 965559342 /nfs/dbraw/zinc/55/93/42/965559342.db2.gz SVIOLSPWPXWQDQ-UHFFFAOYSA-N 1 0 360.458 2.927 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CCc3ccncc3)CC2)c2ncccc12 ZINC000894838534 965856431 /nfs/dbraw/zinc/85/64/31/965856431.db2.gz AWAZQKKMPSZOPY-UHFFFAOYSA-N 1 0 363.421 2.903 20 5 FFBDRO O=[N+]([O-])c1c2ccncc2ccc1N1CC[NH+](CCc2ccncc2)CC1 ZINC000894845639 965889661 /nfs/dbraw/zinc/88/96/61/965889661.db2.gz HKNZOFOGHYYBHL-UHFFFAOYSA-N 1 0 363.421 2.903 20 5 FFBDRO C[C@H](CNC(=O)NC1CC[NH+](CC2CC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000892122537 966020767 /nfs/dbraw/zinc/02/07/67/966020767.db2.gz XZYTYMPKPZKSKZ-CQSZACIVSA-N 1 0 360.458 2.872 20 5 FFBDRO CCOC(=O)c1cnc(N2C(C)(C)CC([NH3+])CC2(C)C)c([N+](=O)[O-])c1 ZINC001167624356 967017987 /nfs/dbraw/zinc/01/79/87/967017987.db2.gz UVJFJZNBZRIVQH-UHFFFAOYSA-N 1 0 350.419 2.651 20 5 FFBDRO CCCCNC(=O)[C@H]1CCC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000050901705 968104355 /nfs/dbraw/zinc/10/43/55/968104355.db2.gz HIGFVDBABMHHRG-AWEZNQCLSA-N 1 0 359.430 2.530 20 5 FFBDRO C[C@H](Nc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1)[C@H]1C[N@H+](C)CCN1C ZINC000895246131 968758701 /nfs/dbraw/zinc/75/87/01/968758701.db2.gz LRGZWYRJFHRBQU-SUMWQHHRSA-N 1 0 373.432 2.842 20 5 FFBDRO O=[N+]([O-])c1cc(O[C@@H]2CCC[NH2+]C[C@@H]2F)c(F)cc1Br ZINC001217947288 969189657 /nfs/dbraw/zinc/18/96/57/969189657.db2.gz ILNZMYCJYUANEJ-GXSJLCMTSA-N 1 0 351.147 2.965 20 5 FFBDRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000874828469 1013910195 /nfs/dbraw/zinc/91/01/95/1013910195.db2.gz GZEHSYMZCCZGIV-IRXDYDNUSA-N 1 0 366.421 2.966 20 5 FFBDRO COc1c(O)ccc(C[NH2+]C[C@@H]2CCN2Cc2ccccc2)c1[N+](=O)[O-] ZINC000895469735 970653736 /nfs/dbraw/zinc/65/37/36/970653736.db2.gz RBVIQHCEXLZMJC-INIZCTEOSA-N 1 0 357.410 2.673 20 5 FFBDRO CC(=O)N1C[C@H]2CN(Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)C[C@H]2C1 ZINC000895575426 970749644 /nfs/dbraw/zinc/74/96/44/970749644.db2.gz DRPRISPABMMYAB-GASCZTMLSA-N 1 0 372.450 2.628 20 5 FFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000897067208 973217468 /nfs/dbraw/zinc/21/74/68/973217468.db2.gz HBESABIITNPIJM-XHSDSOJGSA-N 1 0 360.458 2.967 20 5 FFBDRO C[NH+]1CCC(n2cc(NC(=O)c3cc(F)c(F)cc3[N+](=O)[O-])cn2)CC1 ZINC000876280325 1014208864 /nfs/dbraw/zinc/20/88/64/1014208864.db2.gz VYFOXKFHXBNAHI-UHFFFAOYSA-N 1 0 365.340 2.589 20 5 FFBDRO Cc1noc(C[C@@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)n1 ZINC000759932888 975340838 /nfs/dbraw/zinc/34/08/38/975340838.db2.gz XHUJPIPRCBUHRC-MSOLQXFVSA-N 1 0 368.393 2.893 20 5 FFBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCC[N@@H+]1CCc2ccccc2C1 ZINC000030363431 975590431 /nfs/dbraw/zinc/59/04/31/975590431.db2.gz DQXHIADELVGICA-JXMROGBWSA-N 1 0 351.406 2.783 20 5 FFBDRO [NH3+]C1(CNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)CCCC1 ZINC000662645810 975787230 /nfs/dbraw/zinc/78/72/30/975787230.db2.gz FBGXQANKHWMGNG-UHFFFAOYSA-N 1 0 371.387 2.961 20 5 FFBDRO C[C@]12CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@]1(C)C[N@H+](C/C=C\c1ccccc1)C2 ZINC000982278560 977375936 /nfs/dbraw/zinc/37/59/36/977375936.db2.gz IRQSYYKCDFDNKU-FDTADBGJSA-N 1 0 369.465 2.535 20 5 FFBDRO O=[N+]([O-])c1cnc2ccc(F)cc2c1N1CCC[C@@H](N2CCOCC2)C1 ZINC000894022823 977637861 /nfs/dbraw/zinc/63/78/61/977637861.db2.gz FPRKHDVSOQYMMY-CQSZACIVSA-N 1 0 360.389 2.583 20 5 FFBDRO Cc1nccn1-c1ccc(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)cc1F ZINC000876970989 1014436466 /nfs/dbraw/zinc/43/64/66/1014436466.db2.gz ISGICSYEDPVSLS-UHFFFAOYSA-N 1 0 370.388 2.918 20 5 FFBDRO COc1ccccc1N1CC[C@@H](C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000876998314 1014445563 /nfs/dbraw/zinc/44/55/63/1014445563.db2.gz FLADIQHLARGSEL-FHERZECASA-N 1 0 371.441 2.620 20 5 FFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@H]3CCCN(c4cccc(F)c4)C3)C2)c1 ZINC000877030537 1014454878 /nfs/dbraw/zinc/45/48/78/1014454878.db2.gz FMWKSQVNLFWMGY-UQPPLGOBSA-N 1 0 359.405 2.893 20 5 FFBDRO CCCCNC(=O)C1([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000178872237 978256390 /nfs/dbraw/zinc/25/63/90/978256390.db2.gz OHFWNCKKZUWAIB-KRWDZBQOSA-N 1 0 363.458 2.837 20 5 FFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]Cc3ccnc(N4CCCCC4)c3)C2)c1 ZINC000877145173 1014489218 /nfs/dbraw/zinc/48/92/18/1014489218.db2.gz DVCFJIXZMGFDLK-UHFFFAOYSA-N 1 0 356.430 2.670 20 5 FFBDRO COc1cc([N+](=O)[O-])c(N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C)cc1F ZINC001167943748 978432451 /nfs/dbraw/zinc/43/24/51/978432451.db2.gz RYRKYSZBCSAPPT-LBPRGKRZSA-N 1 0 371.409 2.994 20 5 FFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C3CCC(O)(c4ccccc4)CC3)C2)c1 ZINC000877353025 1014559875 /nfs/dbraw/zinc/55/98/75/1014559875.db2.gz KEZKRHRFDQRHQG-UHFFFAOYSA-N 1 0 356.426 2.915 20 5 FFBDRO C[C@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877374955 1014565951 /nfs/dbraw/zinc/56/59/51/1014565951.db2.gz MBGIAZLCAAYASS-TXIZYHGNSA-N 1 0 355.442 2.605 20 5 FFBDRO COCCCOc1ccc(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000877514130 1014607403 /nfs/dbraw/zinc/60/74/03/1014607403.db2.gz GSGRNJMNZNVWSG-UHFFFAOYSA-N 1 0 360.414 2.700 20 5 FFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@@H]3CCN(c4ccccc4F)C3)C2)c1 ZINC000877542679 1014619770 /nfs/dbraw/zinc/61/97/70/1014619770.db2.gz VDNUBGCTFZKIJE-NFOMZHRRSA-N 1 0 359.405 2.750 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CC[C@H]2CCC3(CCOCC3)CO2)c1 ZINC000905475085 980443457 /nfs/dbraw/zinc/44/34/57/980443457.db2.gz YRNSHGKYXQDSIP-QZTJIDSGSA-N 1 0 364.442 2.584 20 5 FFBDRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000843786198 981068357 /nfs/dbraw/zinc/06/83/57/981068357.db2.gz ZPISALOALZWMEO-UHFFFAOYSA-N 1 0 371.393 2.657 20 5 FFBDRO c1cnc2c(c1)ccc1ccc(-c3noc([C@@H]4C[NH2+]C[C@@H]5CCO[C@H]54)n3)nc12 ZINC001211932491 981205105 /nfs/dbraw/zinc/20/51/05/981205105.db2.gz WXWHFIRMRNMPDF-QMTMVMCOSA-N 1 0 373.416 2.925 20 5 FFBDRO CCc1ccc([C@H](O)C[NH2+]Cc2cc(OC)c(OC)cc2[N+](=O)[O-])cc1 ZINC000796451914 1014965820 /nfs/dbraw/zinc/96/58/20/1014965820.db2.gz WWNQXIGDPFHFGM-QGZVFWFLSA-N 1 0 360.410 2.998 20 5 FFBDRO C/C(=C\C(=O)NC1CC[NH+](C2CCOCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000912347378 984014500 /nfs/dbraw/zinc/01/45/00/984014500.db2.gz RUWQJSCQZXWSRQ-CCEZHUSRSA-N 1 0 373.453 2.758 20 5 FFBDRO O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCC([NH+]2CCC2)CC1 ZINC000912883423 984143403 /nfs/dbraw/zinc/14/34/03/984143403.db2.gz BPEUMSFTNKEHAN-UHFFFAOYSA-N 1 0 372.469 2.508 20 5 FFBDRO O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CCC([NH+]2CCC2)CC1 ZINC000912883904 984143507 /nfs/dbraw/zinc/14/35/07/984143507.db2.gz ZGEMRZMKVMZBER-UHFFFAOYSA-N 1 0 358.442 2.505 20 5 FFBDRO Nc1ccc(C(=O)NCc2ccccc2C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000045581934 984461112 /nfs/dbraw/zinc/46/11/12/984461112.db2.gz NOKRWFPTJBHFNN-UHFFFAOYSA-N 1 0 354.410 2.703 20 5 FFBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CCc2nnc3ccccn32)c1 ZINC000131313687 985057781 /nfs/dbraw/zinc/05/77/81/985057781.db2.gz SSEZTSIOFZHHTI-UHFFFAOYSA-N 1 0 363.324 2.571 20 5 FFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1F)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000129962877 985146800 /nfs/dbraw/zinc/14/68/00/985146800.db2.gz OOJXNSBMAUTCDZ-UHFFFAOYSA-N 1 0 371.412 2.841 20 5 FFBDRO C[N@@H+]1CCC[C@@]2(CCN(Cc3nnc(-c4ccccc4[N+](=O)[O-])o3)C2)C1 ZINC000878652012 1015151267 /nfs/dbraw/zinc/15/12/67/1015151267.db2.gz KNEKXNJQRDWQAO-GOSISDBHSA-N 1 0 357.414 2.563 20 5 FFBDRO C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000765849814 986742543 /nfs/dbraw/zinc/74/25/43/986742543.db2.gz RCWQGQXPQNUDDX-SUMWQHHRSA-N 1 0 358.394 2.968 20 5 FFBDRO C[C@H](Cc1nc(CCNc2ccccc2[N+](=O)[O-])no1)C1CC[NH2+]CC1 ZINC000843184712 987464779 /nfs/dbraw/zinc/46/47/79/987464779.db2.gz IGCLPXYAFJXOQI-CYBMUJFWSA-N 1 0 359.430 2.811 20 5 FFBDRO CC(C)(C)c1ccc(C[NH+]2CCC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1 ZINC001002790729 987474660 /nfs/dbraw/zinc/47/46/60/987474660.db2.gz FQGFHRRWOZVILK-QZTJIDSGSA-N 1 0 359.470 2.730 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H](CO)Cc3ccccc3)CC2)cc1 ZINC000130257538 987477490 /nfs/dbraw/zinc/47/74/90/987477490.db2.gz IJZCQKGQODDPBZ-SFHVURJKSA-N 1 0 355.438 2.757 20 5 FFBDRO CN1CCc2c(NCc3ccc(OC4COC4)cc3)ccc([N+](=O)[O-])c2C1 ZINC001168467961 987680657 /nfs/dbraw/zinc/68/06/57/987680657.db2.gz SUADQWCFGUQUJF-UHFFFAOYSA-N 1 0 369.421 2.972 20 5 FFBDRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000888278588 988653596 /nfs/dbraw/zinc/65/35/96/988653596.db2.gz ZDABKHACLABWET-GFCCVEGCSA-N 1 0 359.361 2.872 20 5 FFBDRO O=[N+]([O-])c1c(NCc2ccc(F)c(Cl)c2F)ncnc1C1C[NH2+]C1 ZINC001168505032 989201623 /nfs/dbraw/zinc/20/16/23/989201623.db2.gz CHMJTYSFJOIHHZ-UHFFFAOYSA-N 1 0 355.732 2.615 20 5 FFBDRO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC[NH+](Cc2cccc(C(F)F)c2)CC1 ZINC001005381374 989740357 /nfs/dbraw/zinc/74/03/57/989740357.db2.gz JTINZNCGDTVWEN-HZPDHXFCSA-N 1 0 367.396 2.712 20 5 FFBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000033084669 990000164 /nfs/dbraw/zinc/00/01/64/990000164.db2.gz HLHTVOBKWCTFAZ-UHFFFAOYSA-N 1 0 356.426 2.652 20 5 FFBDRO CN(c1ccc(NC(=O)c2cc([N+](=O)[O-])cn2C)cc1)C1CC[NH+](C)CC1 ZINC000917794871 990276502 /nfs/dbraw/zinc/27/65/02/990276502.db2.gz VNRHNGNKAATXEQ-UHFFFAOYSA-N 1 0 371.441 2.716 20 5 FFBDRO C[NH+]1CCN(Cc2cccc(NC(=O)c3cc(F)ccc3[N+](=O)[O-])c2)CC1 ZINC000154812700 990493726 /nfs/dbraw/zinc/49/37/26/990493726.db2.gz MYJVNMIKYJTMAE-UHFFFAOYSA-N 1 0 372.400 2.734 20 5 FFBDRO CCOC(=O)CC[C@@H]1CCC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000154871711 990550189 /nfs/dbraw/zinc/55/01/89/990550189.db2.gz FFNHPDJTXJWYQP-AWEZNQCLSA-N 1 0 360.414 2.957 20 5 FFBDRO COc1cccc(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000194881051 990621378 /nfs/dbraw/zinc/62/13/78/990621378.db2.gz DQQMDZWZZPSJDO-PBHICJAKSA-N 1 0 369.421 2.854 20 5 FFBDRO C[NH+]1CCN(Cc2cccc(-c3noc(-c4ccc([N+](=O)[O-])o4)n3)c2)CC1 ZINC001212569881 990710307 /nfs/dbraw/zinc/71/03/07/990710307.db2.gz BLQBKCXXLDTWBD-UHFFFAOYSA-N 1 0 369.381 2.652 20 5 FFBDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000068084996 991331186 /nfs/dbraw/zinc/33/11/86/991331186.db2.gz KLVUSSPKYIKZOX-CYBMUJFWSA-N 1 0 364.402 2.887 20 5 FFBDRO O=[N+]([O-])c1ccccc1OCC[N@H+]1Cc2cccnc2N2CCC[C@H]2C1 ZINC000879690368 1015641801 /nfs/dbraw/zinc/64/18/01/1015641801.db2.gz QRJXAAAPOKJTMI-INIZCTEOSA-N 1 0 354.410 2.853 20 5 FFBDRO O=C(NC[C@H]1CC[C@H](C[NH2+]C/C=C\c2ccccc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001484394822 991560445 /nfs/dbraw/zinc/56/04/45/991560445.db2.gz RMBSNHXPIBIREW-PJSGCXFTSA-N 1 0 371.481 2.877 20 5 FFBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000880025185 1015734944 /nfs/dbraw/zinc/73/49/44/1015734944.db2.gz ZMZVZTLMJZCNCT-ZDUSSCGKSA-N 1 0 365.430 2.606 20 5 FFBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000880061055 1015745566 /nfs/dbraw/zinc/74/55/66/1015745566.db2.gz QIQVHBZQVTVYHB-CYBMUJFWSA-N 1 0 365.430 2.606 20 5 FFBDRO CC(C)([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(C(F)(F)F)cc1 ZINC000880383979 1015823303 /nfs/dbraw/zinc/82/33/03/1015823303.db2.gz OAHPCWHXVMHDNF-AWEZNQCLSA-N 1 0 372.347 2.696 20 5 FFBDRO C[NH+](C)CCOc1ccc(/C=C\C(=O)NCc2cccc([N+](=O)[O-])c2)cc1 ZINC000808315192 994082746 /nfs/dbraw/zinc/08/27/46/994082746.db2.gz WPNNGBWIFVBDFH-FLIBITNWSA-N 1 0 369.421 2.865 20 5 FFBDRO Cc1c(NC(=O)[C@@H](C)N2CCC(C)([NH+]3CCC3)CC2)cccc1[N+](=O)[O-] ZINC000880474537 1015844757 /nfs/dbraw/zinc/84/47/57/1015844757.db2.gz HYGQMNPMVWMIOB-OAHLLOKOSA-N 1 0 360.458 2.790 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCC[C@](CO)(Cc3ccccc3)C2)cc1 ZINC000812874000 995556732 /nfs/dbraw/zinc/55/67/32/995556732.db2.gz RQAZNMYHUNGVQI-SFTDATJTSA-N 1 0 370.449 2.945 20 5 FFBDRO CC[N@H+](CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)CC(C)(C)C ZINC000812892306 995572650 /nfs/dbraw/zinc/57/26/50/995572650.db2.gz FMGUQFREANZDPC-UHFFFAOYSA-N 1 0 362.474 2.611 20 5 FFBDRO Cc1cccc(C[N@@H+]2Cc3ccc(CNC(=O)[C@@H]4C[C@H]4[N+](=O)[O-])cc3C2)c1 ZINC001054264719 1015995760 /nfs/dbraw/zinc/99/57/60/1015995760.db2.gz QMXOOCIFICICQG-WOJBJXKFSA-N 1 0 365.433 2.792 20 5 FFBDRO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000823990006 996772876 /nfs/dbraw/zinc/77/28/76/996772876.db2.gz GAUQQLSNMNVWAT-MOPGFXCFSA-N 1 0 369.421 2.582 20 5 FFBDRO Cc1ccc(NCCCNC(=O)[C@@H]2CC[C@H]3C[C@H](C)C[N@H+]3C2)c([N+](=O)[O-])c1 ZINC001136872055 996950887 /nfs/dbraw/zinc/95/08/87/996950887.db2.gz BTOGJOAXKCVTBE-BBWFWOEESA-N 1 0 374.485 2.942 20 5 FFBDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825183635 997243431 /nfs/dbraw/zinc/24/34/31/997243431.db2.gz OTRBFZXRTHKGGQ-IBGZPJMESA-N 1 0 371.437 2.785 20 5 FFBDRO COC1CC[NH+](C(C)(C)CNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000730789186 997483922 /nfs/dbraw/zinc/48/39/22/997483922.db2.gz GYMAWQGETXSOGB-TWGQIWQCSA-N 1 0 361.442 2.614 20 5 FFBDRO COc1ccc(C2CC[NH+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)CC2)nc1 ZINC000844351326 997820222 /nfs/dbraw/zinc/82/02/22/997820222.db2.gz NIMRDXUBHVEKTE-IBGZPJMESA-N 1 0 357.410 2.911 20 5 FFBDRO C[NH2+]C[C@H](C)c1noc(-c2cccc(Cn3nc([N+](=O)[O-])cc3C)c2)n1 ZINC000844683782 998076892 /nfs/dbraw/zinc/07/68/92/998076892.db2.gz XEKASPQHHDGSAB-NSHDSACASA-N 1 0 356.386 2.521 20 5 FFBDRO COc1cc2c(cc1C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)O[C@H](C)C2 ZINC000731678717 998143515 /nfs/dbraw/zinc/14/35/15/998143515.db2.gz ONTXIOMBXRQUCY-SJKOYZFVSA-N 1 0 358.394 2.750 20 5 FFBDRO Cc1ccc2c(C[C@H](C)[NH3+])cn(-c3ccc([N+](=O)[O-])c4c3CNC4=O)c2c1 ZINC001171167724 998399560 /nfs/dbraw/zinc/39/95/60/998399560.db2.gz LSLXHUHIGNGZPE-LBPRGKRZSA-N 1 0 364.405 2.980 20 5 FFBDRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000845366184 998510541 /nfs/dbraw/zinc/51/05/41/998510541.db2.gz ZZPAFYQXIICXJE-UHFFFAOYSA-N 1 0 359.401 2.997 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@@H]1COC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000845735771 998643203 /nfs/dbraw/zinc/64/32/03/998643203.db2.gz OPAKTNOENKTFKX-OAHLLOKOSA-N 1 0 358.398 2.810 20 5 FFBDRO O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000732567773 998704958 /nfs/dbraw/zinc/70/49/58/998704958.db2.gz JEPIQLQMPMCIEB-INIZCTEOSA-N 1 0 358.442 2.552 20 5 FFBDRO CC(C)[C@H](C[NH+](C)C)NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000733169047 998905570 /nfs/dbraw/zinc/90/55/70/998905570.db2.gz YKDLTHCMBKHYHS-INIZCTEOSA-N 1 0 362.474 2.514 20 5 FFBDRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2ccc(C3CCCC3)cc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001086083091 999754744 /nfs/dbraw/zinc/75/47/44/999754744.db2.gz NTKJEZCWKNCZDO-XWPNQZOQSA-N 1 0 371.481 2.994 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2ncn(CN3CC[C@H](C[NH+]4CCCCC4)C3)n2)c1 ZINC000742172229 999761122 /nfs/dbraw/zinc/76/11/22/999761122.db2.gz SFLMIDHPZKKIHD-MRXNPFEDSA-N 1 0 370.457 2.619 20 5 FFBDRO C[C@@H]1CC[N@H+](CCNC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)C1 ZINC000744798034 999876157 /nfs/dbraw/zinc/87/61/57/999876157.db2.gz FIOHOQHGTRZRPD-MRXNPFEDSA-N 1 0 374.485 2.903 20 5 FFBDRO CC[NH+](CC)CC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC1 ZINC000746298275 999958041 /nfs/dbraw/zinc/95/80/41/999958041.db2.gz MZISADJZWMVYML-UHFFFAOYSA-N 1 0 362.474 2.855 20 5 FFBDRO [NH3+]CCc1cnn(-c2c3ccc(Br)cc3ncc2[N+](=O)[O-])c1 ZINC001168949660 1000011320 /nfs/dbraw/zinc/01/13/20/1000011320.db2.gz PINBHDLKFGGTDS-UHFFFAOYSA-N 1 0 362.187 2.592 20 5 FFBDRO CC(C)(C)OC(=O)N1CCC2(C[C@@H]2[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168961719 1000013121 /nfs/dbraw/zinc/01/31/21/1000013121.db2.gz JZTWOWCBERFFJN-KKUMJFAQSA-N 1 0 353.463 2.811 20 5 FFBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CC2CCN(c3ncnc4ccccc43)CC2)C1 ZINC001168998332 1000014538 /nfs/dbraw/zinc/01/45/38/1000014538.db2.gz LICJKPVRLYHTGH-IAGOWNOFSA-N 1 0 369.469 2.881 20 5 FFBDRO CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169011329 1000015388 /nfs/dbraw/zinc/01/53/88/1000015388.db2.gz JWLVDVSZWXCLND-QKPAOTATSA-N 1 0 353.463 2.763 20 5 FFBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2ccccc2I)C1 ZINC001168988150 1000015841 /nfs/dbraw/zinc/01/58/41/1000015841.db2.gz OMJFQCFGGWIAHG-CMPLNLGQSA-N 1 0 360.195 2.826 20 5 FFBDRO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@@H]2C1 ZINC001169035776 1000016773 /nfs/dbraw/zinc/01/67/73/1000016773.db2.gz LUDXHXDUPPEMQQ-LVQVYYBASA-N 1 0 353.463 2.621 20 5 FFBDRO O=C1OC2(CN1c1ccccc1)CC[NH+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169038255 1000017046 /nfs/dbraw/zinc/01/70/46/1000017046.db2.gz XJZBIBHPFMJOLS-RDJZCZTQSA-N 1 0 359.426 2.923 20 5 FFBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2CC[C@H](OCC3CC3)[C@@H]2Cc2cccnc2)C1 ZINC001169019036 1000017501 /nfs/dbraw/zinc/01/75/01/1000017501.db2.gz GKQHJOXLLLWKBB-MUGJNUQGSA-N 1 0 359.470 2.939 20 5 FFBDRO CN1C(=O)C[C@H](c2ccccc2)C12CC[NH+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169024405 1000017967 /nfs/dbraw/zinc/01/79/67/1000017967.db2.gz GYCDPQBMMSEGQX-NZSAHSFTSA-N 1 0 371.481 2.912 20 5 FFBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCO[C@]3(CCCN(c4ccccc4)C3)C2)C1 ZINC001169023979 1000017968 /nfs/dbraw/zinc/01/79/68/1000017968.db2.gz WHIDRJRIFODCBI-HOJAQTOUSA-N 1 0 359.470 2.803 20 5 FFBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCCn3cnc(COCc4ccco4)c3C2)C1 ZINC001169026240 1000018202 /nfs/dbraw/zinc/01/82/02/1000018202.db2.gz WJYYQCINDARRHS-HZPDHXFCSA-N 1 0 374.441 2.844 20 5 FFBDRO O=C1Nc2ccccc2CN1[C@H]1CCC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169051364 1000018783 /nfs/dbraw/zinc/01/87/83/1000018783.db2.gz DNPVAYOLAKCQJJ-OIISXLGYSA-N 1 0 358.442 2.944 20 5 FFBDRO O=C(c1ccc(Cl)cc1)N1CCC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169049643 1000018826 /nfs/dbraw/zinc/01/88/26/1000018826.db2.gz XENIIFWDLLEVAN-RHSMWYFYSA-N 1 0 365.861 2.933 20 5 FFBDRO CC(C)(C)OC(=O)N1CC[C@@H]([N@H+](C2CC2)[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169048693 1000018838 /nfs/dbraw/zinc/01/88/38/1000018838.db2.gz APTKGIJMMDTWNL-FVQBIDKESA-N 1 0 353.463 2.906 20 5 FFBDRO CC1(C)C[C@H](Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C[C@@](C)(C[NH3+])C1 ZINC001169145259 1000027192 /nfs/dbraw/zinc/02/71/92/1000027192.db2.gz DRKXVRFRYUMBAG-YVEFUNNKSA-N 1 0 369.487 2.954 20 5 FFBDRO CCOC(=O)C1(Nc2nccc3c2ccc(C)c3[N+](=O)[O-])CC[NH+](C)CC1 ZINC001169493334 1000053298 /nfs/dbraw/zinc/05/32/98/1000053298.db2.gz WAEYVGZTJZGLBC-UHFFFAOYSA-N 1 0 372.425 2.891 20 5 FFBDRO COC(=O)c1c(C)c([N+](=O)[O-])ccc1-n1cc(CC[NH3+])c2ncccc21 ZINC001169709737 1000071424 /nfs/dbraw/zinc/07/14/24/1000071424.db2.gz SMCVIKRFHPUCAX-UHFFFAOYSA-N 1 0 354.366 2.530 20 5 FFBDRO COC(=O)COc1ccc(C[N@@H+]2CCC[C@@]3(CC3(F)F)C2)cc1[N+](=O)[O-] ZINC000846105956 1000209176 /nfs/dbraw/zinc/20/91/76/1000209176.db2.gz ZHAHFEHIURQWNN-MRXNPFEDSA-N 1 0 370.352 2.768 20 5 FFBDRO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N(CC[NH+](C)C)Cc1ccccn1 ZINC001144800844 1000287940 /nfs/dbraw/zinc/28/79/40/1000287940.db2.gz MLIWVVGZAZHHPD-UHFFFAOYSA-N 1 0 360.389 2.641 20 5 FFBDRO C[C@H]([NH2+]C[C@]1(O)CCN(C(=O)OC(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000846846061 1000457544 /nfs/dbraw/zinc/45/75/44/1000457544.db2.gz STQJOMZSMDWUOP-SCLBCKFNSA-N 1 0 365.430 2.617 20 5 FFBDRO O=C(CC1([NH+]2CCOCC2)CCCC1)OCc1ccc([N+](=O)[O-])c(F)c1 ZINC000786095255 1001527726 /nfs/dbraw/zinc/52/77/26/1001527726.db2.gz BPCHJKGCAJCLGA-UHFFFAOYSA-N 1 0 366.389 2.812 20 5 FFBDRO CCN(CCC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000787533951 1001695927 /nfs/dbraw/zinc/69/59/27/1001695927.db2.gz RBRPZHIMCXIEQG-UHFFFAOYSA-N 1 0 362.474 2.999 20 5 FFBDRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000788476380 1001811404 /nfs/dbraw/zinc/81/14/04/1001811404.db2.gz NHRDMWODPPLPSF-IYBDPMFKSA-N 1 0 364.465 2.724 20 5 FFBDRO Cn1c(=O)c([N+](=O)[O-])c(Nc2cnn(-c3cc[nH+]cc3)c2)c2ccccc21 ZINC001185231234 1002872390 /nfs/dbraw/zinc/87/23/90/1002872390.db2.gz UXRQJAMYTRWOKE-UHFFFAOYSA-N 1 0 362.349 2.771 20 5 FFBDRO C[NH+](C)CCOc1cc(NCC(=O)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC001170185836 1003038532 /nfs/dbraw/zinc/03/85/32/1003038532.db2.gz HBSASTOQRDXOLT-UHFFFAOYSA-N 1 0 357.410 2.759 20 5 FFBDRO O=[N+]([O-])c1c(NCc2nc(-c3ccccc3)cs2)ncnc1C1C[NH2+]C1 ZINC001170246337 1003069691 /nfs/dbraw/zinc/06/96/91/1003069691.db2.gz XDWVKVQDERALEN-UHFFFAOYSA-N 1 0 368.422 2.807 20 5 FFBDRO COc1ccc(C[C@H](C)[NH2+]C[C@H](O)COCc2ccccc2)c([N+](=O)[O-])c1 ZINC001170297209 1003091307 /nfs/dbraw/zinc/09/13/07/1003091307.db2.gz MBTPIDQIELYSMU-YJBOKZPZSA-N 1 0 374.437 2.702 20 5 FFBDRO COc1ccc(C[C@H](C)[NH2+][C@@H]2CCN(c3cc(C)ncn3)C2)c([N+](=O)[O-])c1 ZINC001170322889 1003111999 /nfs/dbraw/zinc/11/19/99/1003111999.db2.gz IDYZWYLUUIEOLL-GOEBONIOSA-N 1 0 371.441 2.501 20 5 FFBDRO COc1ccc(C[C@@H](C)[NH2+]CC(=O)Nc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC001170325960 1003112991 /nfs/dbraw/zinc/11/29/91/1003112991.db2.gz ZCMFSKVIAJKLIO-GFCCVEGCSA-N 1 0 361.373 2.902 20 5 FFBDRO CCC(=O)N[C@H]1CC[C@H]([NH2+][C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC001170329238 1003114745 /nfs/dbraw/zinc/11/47/45/1003114745.db2.gz YCMDBOZRHKGAET-FVQBIDKESA-N 1 0 363.458 2.961 20 5 FFBDRO COc1ccc(C[C@@H](C)[N@@H+]2CC[C@H](Oc3ncc(C)cn3)C2)c([N+](=O)[O-])c1 ZINC001170355633 1003123220 /nfs/dbraw/zinc/12/32/20/1003123220.db2.gz NGOOEWSNYDSDCH-PBHICJAKSA-N 1 0 372.425 2.786 20 5 FFBDRO COC(=O)[C@H]1CC[C@@H](C)[N@@H+]([C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170348021 1003133885 /nfs/dbraw/zinc/13/38/85/1003133885.db2.gz UUYHXSMASAVHFH-NFAWXSAZSA-N 1 0 350.415 2.808 20 5 FFBDRO COc1ccc(C[C@H](C)N(c2ccccn2)[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001170351537 1003137416 /nfs/dbraw/zinc/13/74/16/1003137416.db2.gz CXCKMAOWBONQQQ-GOEBONIOSA-N 1 0 356.426 2.798 20 5 FFBDRO COc1c(C(=O)Nc2ccccc2N2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000792923487 1003235059 /nfs/dbraw/zinc/23/50/59/1003235059.db2.gz PJOSYJZZSJBKGU-UHFFFAOYSA-N 1 0 370.409 2.608 20 5 FFBDRO CC1(C)CCCC[C@H]1[NH2+]CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000775683004 1003635006 /nfs/dbraw/zinc/63/50/06/1003635006.db2.gz ODUTTZDLCHAZAW-GOSISDBHSA-N 1 0 374.485 2.802 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CN1CC2(CCCC2)OC[C@@H]1C[NH+](C)C ZINC001196198251 1003699879 /nfs/dbraw/zinc/69/98/79/1003699879.db2.gz HPKHVIUGVRHCII-KRWDZBQOSA-N 1 0 363.458 2.679 20 5 FFBDRO C[C@]1(CNc2cc(N)c([N+](=O)[O-])c(CO)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000804684298 1003782853 /nfs/dbraw/zinc/78/28/53/1003782853.db2.gz YCOHYMLYUNNKTR-HXUWFJFHSA-N 1 0 370.453 2.993 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH+]2CCC(O)(Cc3ccc(F)cc3)CC2)cc1 ZINC000775742399 1003936617 /nfs/dbraw/zinc/93/66/17/1003936617.db2.gz SYLLOESJQKMBQD-IBGZPJMESA-N 1 0 374.412 2.837 20 5 FFBDRO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC001196773856 1003966238 /nfs/dbraw/zinc/96/62/38/1003966238.db2.gz UVECIKVIHAXGBK-KGLIPLIRSA-N 1 0 365.430 2.961 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@]1(C)C[NH+]2CCC1CC2 ZINC001130798606 1004478437 /nfs/dbraw/zinc/47/84/37/1004478437.db2.gz HOYHPPQLZSLMNC-APPDUMDISA-N 1 0 367.833 2.616 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H]2CSC[C@@]2(C)C1 ZINC001198468492 1004627791 /nfs/dbraw/zinc/62/77/91/1004627791.db2.gz XLAJVHVAFHYGIE-YVEFUNNKSA-N 1 0 365.455 2.617 20 5 FFBDRO CCN(CC[NH2+]Cc1cc(OC)c(O)cc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC001199979709 1005066120 /nfs/dbraw/zinc/06/61/20/1005066120.db2.gz ADYSCIQTQDVIBK-UHFFFAOYSA-N 1 0 369.418 2.656 20 5 FFBDRO CC[C@@H](c1ccccc1)[NH+]1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC001202229808 1005321750 /nfs/dbraw/zinc/32/17/50/1005321750.db2.gz JVUXJZAMTLJRJT-KRWDZBQOSA-N 1 0 369.425 2.713 20 5 FFBDRO COc1ccnc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1F ZINC000850537328 1005820979 /nfs/dbraw/zinc/82/09/79/1005820979.db2.gz PEBCFNTYBOXVRL-UHFFFAOYSA-N 1 0 360.389 2.896 20 5 FFBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000850720744 1005834584 /nfs/dbraw/zinc/83/45/84/1005834584.db2.gz GXPPTEKAOLWGLZ-OAHLLOKOSA-N 1 0 360.458 2.513 20 5 FFBDRO CC[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C[C@H]1COc2ccccc2O1 ZINC000776574158 1005952856 /nfs/dbraw/zinc/95/28/56/1005952856.db2.gz DPWFYMLVCMFYSK-DLBZAZTESA-N 1 0 358.394 2.790 20 5 FFBDRO COC(=O)CC[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776581021 1005960904 /nfs/dbraw/zinc/96/09/04/1005960904.db2.gz CGLKQSRSKTXPPD-GOSISDBHSA-N 1 0 358.394 2.694 20 5 FFBDRO CC(C)(C)OCCC[NH+]1CCN(c2nc3sccn3c2[N+](=O)[O-])CC1 ZINC001187455110 1006089636 /nfs/dbraw/zinc/08/96/36/1006089636.db2.gz WXAYPBVZXGJBQE-UHFFFAOYSA-N 1 0 367.475 2.631 20 5 FFBDRO O=[N+]([O-])c1cnn(CN2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1 ZINC000814223368 1006213132 /nfs/dbraw/zinc/21/31/32/1006213132.db2.gz GXTYPPAHIURXBJ-UHFFFAOYSA-N 1 0 355.442 2.737 20 5 FFBDRO Cc1c[n+]([O-])c(N[C@@H](Cc2ccccc2)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC001170753672 1006366793 /nfs/dbraw/zinc/36/67/93/1006366793.db2.gz LEQLRLHHOBLEIN-KRWDZBQOSA-N 1 0 356.426 2.656 20 5 FFBDRO CCO[C@H]1C[C@@H](N(C)Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)C1(C)C ZINC000853498942 1006415386 /nfs/dbraw/zinc/41/53/86/1006415386.db2.gz SKLCGHZBNOFWCB-CVEARBPZSA-N 1 0 359.430 2.946 20 5 FFBDRO CC1([NH+]2CCC2)CCN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000882508107 1006416967 /nfs/dbraw/zinc/41/69/67/1006416967.db2.gz UOFQDPRXKMIYGZ-UHFFFAOYSA-N 1 0 369.368 2.897 20 5 FFBDRO CC(C)NC(=O)[C@@H]1CCC[N@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C1 ZINC000853602182 1006470182 /nfs/dbraw/zinc/47/01/82/1006470182.db2.gz JVIBRBFLOYBQCJ-OAHLLOKOSA-N 1 0 371.441 2.652 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC[C@H]([NH2+]C3CCOCC3)C2)c(OC(F)F)c1 ZINC000882726521 1006489989 /nfs/dbraw/zinc/48/99/89/1006489989.db2.gz WUJVVVSBDHWNHM-ZDUSSCGKSA-N 1 0 371.384 2.934 20 5 FFBDRO C[C@@H](c1ccccc1)[NH+]1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000882812156 1006515272 /nfs/dbraw/zinc/51/52/72/1006515272.db2.gz LJFUKNAWGPOROE-AWEZNQCLSA-N 1 0 354.410 2.577 20 5 FFBDRO OC[C@H]1C[NH2+]C[C@@H]1Nc1ccc2ccc3ccc(Br)nc3c2n1 ZINC001170779479 1006552928 /nfs/dbraw/zinc/55/29/28/1006552928.db2.gz CTTPIGSVHQMSBC-OLZOCXBDSA-N 1 0 373.254 2.538 20 5 FFBDRO C[C@H]([NH2+]Cc1cc2ccccc2n(C)c1=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815629313 1006720919 /nfs/dbraw/zinc/72/09/19/1006720919.db2.gz ZQVFCELKGRVZEE-LBPRGKRZSA-N 1 0 352.394 2.880 20 5 FFBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1OC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000816452134 1007060425 /nfs/dbraw/zinc/06/04/25/1007060425.db2.gz WQYQFXVNXJIXTJ-MAUKXSAKSA-N 1 0 372.425 2.635 20 5 FFBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CC[N@@H+]1C1CCCC1 ZINC001152591734 1032198404 /nfs/dbraw/zinc/19/84/04/1032198404.db2.gz DEFBTXIDTKNFHM-OAHLLOKOSA-N 1 0 351.834 2.924 20 5 FFBDRO C[C@@H](CCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1)[NH+](C)C ZINC000855413976 1007329779 /nfs/dbraw/zinc/32/97/79/1007329779.db2.gz UOTRSFXCERSIMS-HNNXBMFYSA-N 1 0 362.474 2.901 20 5 FFBDRO C[C@H]1CN(c2cc[nH+]cc2)CCN1c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000884855993 1007579348 /nfs/dbraw/zinc/57/93/48/1007579348.db2.gz WYFKJPDUAUWAIH-ZDUSSCGKSA-N 1 0 367.409 2.590 20 5 FFBDRO CCC[N@H+](C)CC(C)(C)NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000856283227 1007747891 /nfs/dbraw/zinc/74/78/91/1007747891.db2.gz RMEUGQCQGFZCDE-UHFFFAOYSA-N 1 0 366.418 2.970 20 5 FFBDRO CC[N@H+](C)Cc1cc(O[C@@H]2CCN(c3nc(C)ccc3[N+](=O)[O-])C2)ccn1 ZINC000856534345 1007873907 /nfs/dbraw/zinc/87/39/07/1007873907.db2.gz ZNMOOHBTIZSIME-QGZVFWFLSA-N 1 0 371.441 2.803 20 5 FFBDRO CC(C)[N@H+](C)Cc1cc(O[C@H]2CCN(c3ccc([N+](=O)[O-])nc3)C2)ccn1 ZINC000856535097 1007874870 /nfs/dbraw/zinc/87/48/70/1007874870.db2.gz NNVOACDOPSZRDQ-SFHVURJKSA-N 1 0 371.441 2.883 20 5 FFBDRO Cc1cc(C)n(-c2ccc(C[NH2+]C[C@@H](O)c3cccc([N+](=O)[O-])c3)cn2)n1 ZINC000818963866 1007979721 /nfs/dbraw/zinc/97/97/21/1007979721.db2.gz CXUCJYVJRUBEOS-GOSISDBHSA-N 1 0 367.409 2.616 20 5 FFBDRO CC(C)(C)OC(=O)N1CCC([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000818961042 1007979743 /nfs/dbraw/zinc/97/97/43/1007979743.db2.gz KZNFHWMQFAFSPQ-INIZCTEOSA-N 1 0 365.430 2.617 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]Cc2cccnc2OCC(F)(F)F)cc1 ZINC000818953660 1007992208 /nfs/dbraw/zinc/99/22/08/1007992208.db2.gz OHUAXPYARKNILI-AWEZNQCLSA-N 1 0 371.315 2.754 20 5 FFBDRO O=C1CCCN1c1cccc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000818955587 1007993665 /nfs/dbraw/zinc/99/36/65/1007993665.db2.gz AUQUYNWZQGBCKT-SFHVURJKSA-N 1 0 355.394 2.545 20 5 FFBDRO O=C1CCCN1Cc1cccc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000818956873 1007993819 /nfs/dbraw/zinc/99/38/19/1007993819.db2.gz APEGOYLJFPGETI-IBGZPJMESA-N 1 0 369.421 2.540 20 5 FFBDRO CN(C)[C@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1c(F)cccc1F ZINC000819073189 1008037463 /nfs/dbraw/zinc/03/74/63/1008037463.db2.gz KVYGOKAEHGLVQA-SJORKVTESA-N 1 0 365.380 2.799 20 5 FFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H]2CCN(c3c(F)cccc3F)C2)c1 ZINC000819146272 1008042926 /nfs/dbraw/zinc/04/29/26/1008042926.db2.gz GCLJKXDPCXIJQS-DYVFJYSZSA-N 1 0 363.364 2.775 20 5 FFBDRO CC(C)(C)OC(=O)N[C@@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000819198291 1008065097 /nfs/dbraw/zinc/06/50/97/1008065097.db2.gz QOMTXKPZJCRKIN-JKSUJKDBSA-N 1 0 365.430 2.521 20 5 FFBDRO O=C1[C@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CCCN1C1CCCCC1 ZINC000819253523 1008071125 /nfs/dbraw/zinc/07/11/25/1008071125.db2.gz GNJAKCKZQWNLFQ-MSOLQXFVSA-N 1 0 361.442 2.542 20 5 FFBDRO O=C(CC[NH2+]C[C@H]1COC2(CCCCC2)O1)Nc1ccccc1[N+](=O)[O-] ZINC000819210656 1008072197 /nfs/dbraw/zinc/07/21/97/1008072197.db2.gz XAHRILXPXNOTEW-AWEZNQCLSA-N 1 0 363.414 2.589 20 5 FFBDRO CC(C)(C)OC(=O)NC1(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000819223833 1008077112 /nfs/dbraw/zinc/07/71/12/1008077112.db2.gz NSMDYHFWWOCBCS-OAHLLOKOSA-N 1 0 365.430 2.665 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)CNc2ccc(CC[NH+]3CCOCC3)cc2)cc1 ZINC000819422440 1008145405 /nfs/dbraw/zinc/14/54/05/1008145405.db2.gz WMYGADYJJXBWLF-FQEVSTJZSA-N 1 0 371.437 2.615 20 5 FFBDRO O=C(N1CCCC[C@@H]1[C@H]1CC[NH2+]C1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857768243 1008204069 /nfs/dbraw/zinc/20/40/69/1008204069.db2.gz NPEOBSXSUUDZAA-SWLSCSKDSA-N 1 0 369.368 2.557 20 5 FFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@H]([NH+](C)C)CCc2ccccc21 ZINC000857933437 1008251266 /nfs/dbraw/zinc/25/12/66/1008251266.db2.gz YUBOOFRYSOQJJA-OAHLLOKOSA-N 1 0 354.410 2.821 20 5 FFBDRO CCC(CC)Nc1cc[nH+]cc1NC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000820139597 1008292275 /nfs/dbraw/zinc/29/22/75/1008292275.db2.gz IXHGYEAOPWGPCR-UHFFFAOYSA-N 1 0 361.377 2.986 20 5 FFBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000820503049 1008346085 /nfs/dbraw/zinc/34/60/85/1008346085.db2.gz DSNZHGDAKISEPW-YOEHRIQHSA-N 1 0 360.458 2.750 20 5 FFBDRO CN1CC[NH+](CCCCNC(=O)c2cc([N+](=O)[O-])cc3ccccc32)CC1 ZINC000858452654 1008363046 /nfs/dbraw/zinc/36/30/46/1008363046.db2.gz LLVBMYAHZSFMJD-UHFFFAOYSA-N 1 0 370.453 2.505 20 5 FFBDRO O=C1OCCN1c1cc([N+](=O)[O-])ccc1NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000858779849 1008422072 /nfs/dbraw/zinc/42/20/72/1008422072.db2.gz DNBRCAZBVJJPON-HNNXBMFYSA-N 1 0 360.414 2.980 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@H](O)Cc3ccc(F)cc3)CC2)cc1 ZINC000886678719 1008815040 /nfs/dbraw/zinc/81/50/40/1008815040.db2.gz JLTNWWBSDYVLPY-HXUWFJFHSA-N 1 0 373.428 2.896 20 5 FFBDRO C[C@@H]1C[C@]2(CC[C@H](C[NH2+][C@@H]3CCCC[C@H]3n3ccc([N+](=O)[O-])n3)O2)CO1 ZINC000886766081 1008867803 /nfs/dbraw/zinc/86/78/03/1008867803.db2.gz BLKRPSIFNULRPJ-XSDHEKCYSA-N 1 0 364.446 2.591 20 5 FFBDRO O=C(NCCCCCC[NH2+]Cc1ccc2ncccc2c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001178458426 1008994587 /nfs/dbraw/zinc/99/45/87/1008994587.db2.gz HARMKOFSSUHSFU-IEBWSBKVSA-N 1 0 370.453 2.666 20 5 FFBDRO O=C(NCCCCCC[NH2+]Cc1ccc(F)cc1Cl)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001178458340 1008995784 /nfs/dbraw/zinc/99/57/84/1008995784.db2.gz BKRWXWUIFFHTKK-GDBMZVCRSA-N 1 0 371.840 2.911 20 5 FFBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000126446098 1009229325 /nfs/dbraw/zinc/22/93/25/1009229325.db2.gz LKTWDQGBDIXHFH-APWZRJJASA-N 1 0 372.469 2.796 20 5 FFBDRO C[C@@H](CNC(=O)Nc1ccc(N)c([N+](=O)[O-])c1)[N@@H+]1CCc2ccccc2C1 ZINC000824003108 1009290084 /nfs/dbraw/zinc/29/00/84/1009290084.db2.gz PHLBJWZOMHAOIY-ZDUSSCGKSA-N 1 0 369.425 2.745 20 5 FFBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000130430370 1009336612 /nfs/dbraw/zinc/33/66/12/1009336612.db2.gz ZEHFIHOKXNILKT-CQSZACIVSA-N 1 0 356.426 2.993 20 5 FFBDRO C[C@H]([NH2+][C@@H]1CCc2ccccc2OC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000509519028 1009528194 /nfs/dbraw/zinc/52/81/94/1009528194.db2.gz ZIRCGTYNXWGMJW-XJKSGUPXSA-N 1 0 355.394 2.905 20 5 FFBDRO CCOC(=O)c1cccc([N+](=O)[O-])c1N1c2ccccc2OC[C@H]1C[NH3+] ZINC001171394499 1009739293 /nfs/dbraw/zinc/73/92/93/1009739293.db2.gz RUNFMHKZTSZMNI-GFCCVEGCSA-N 1 0 357.366 2.629 20 5 FFBDRO CC(C)[C@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@@H](O)c1ccccc1 ZINC000794602231 1010434964 /nfs/dbraw/zinc/43/49/64/1010434964.db2.gz CZUZZVQVSJBGPU-PMACEKPBSA-N 1 0 371.437 2.905 20 5 FFBDRO CC(C)[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H](O)c1ccccc1 ZINC000794601876 1010435291 /nfs/dbraw/zinc/43/52/91/1010435291.db2.gz GISJTUXWMSBBIH-FFZOFVMBSA-N 1 0 374.437 2.682 20 5 FFBDRO CN(CC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)C(=O)OC(C)(C)C ZINC000774168026 1010498413 /nfs/dbraw/zinc/49/84/13/1010498413.db2.gz FKZLJYPEORUNIX-KGLIPLIRSA-N 1 0 367.450 2.732 20 5 FFBDRO C[NH+]1CCC2(CCN(c3ccc([N+](=O)[O-])cc3C(=O)NC3CC3)CC2)CC1 ZINC000866055336 1010918286 /nfs/dbraw/zinc/91/82/86/1010918286.db2.gz SYDAVTIMWYWSCE-UHFFFAOYSA-N 1 0 372.469 2.799 20 5 FFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccnc(-n2cncn2)c1 ZINC000866431748 1010992968 /nfs/dbraw/zinc/99/29/68/1010992968.db2.gz BJSOLOUARLFASC-CQSZACIVSA-N 1 0 352.398 2.681 20 5 FFBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000646474300 1011968824 /nfs/dbraw/zinc/96/88/24/1011968824.db2.gz YCKIENPYJSZBRC-CRAIPNDOSA-N 1 0 363.461 2.706 20 5 FFBDRO N=c1sc2c(n1[C@H]1CCc3ccc([N+](=O)[O-])cc3CC1)CC[C@H]([NH3+])C2 ZINC001172898218 1012071973 /nfs/dbraw/zinc/07/19/73/1012071973.db2.gz HWMBRAIXLSCWGQ-KBPBESRZSA-N 1 0 358.467 2.873 20 5 FFBDRO O=C(C1CCC1)N1CC[NH+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172920230 1012102288 /nfs/dbraw/zinc/10/22/88/1012102288.db2.gz JCLBJGWMSOSLBK-GOSISDBHSA-N 1 0 357.454 2.787 20 5 FFBDRO CC1(C)C[C@H]([NH2+]C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)CO1 ZINC001173008852 1012177324 /nfs/dbraw/zinc/17/73/24/1012177324.db2.gz HGGCLRWFIQRZKL-LBPRGKRZSA-N 1 0 355.385 2.999 20 5 FFBDRO C[C@@H]1CC[N@@H+](C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)C[C@H]1O ZINC001173010654 1012182461 /nfs/dbraw/zinc/18/24/61/1012182461.db2.gz WWZHFOABPMFHFF-BDJLRTHQSA-N 1 0 355.385 2.545 20 5 FFBDRO CO[C@@H]1CCC[N@@H+](C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)C1 ZINC001173014579 1012187052 /nfs/dbraw/zinc/18/70/52/1012187052.db2.gz SRMJRQDDWYOSQK-CQSZACIVSA-N 1 0 355.385 2.953 20 5 FFBDRO COC(=O)C1(C[NH2+][C@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])CCC1 ZINC001173180330 1012323525 /nfs/dbraw/zinc/32/35/25/1012323525.db2.gz VFZALUYVLZGFMY-LLVKDONJSA-N 1 0 354.378 2.606 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CCCC[C@](O)(CF)C2)c1F ZINC001173180365 1012325135 /nfs/dbraw/zinc/32/51/35/1012325135.db2.gz KDXKJIGCXIUXKB-SJCJKPOMSA-N 1 0 358.385 2.860 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@H]2c3ccccc3C[C@@H]2O)c1F ZINC001173183298 1012326683 /nfs/dbraw/zinc/32/66/83/1012326683.db2.gz LZHLLUVTYMVWDD-DQNAHFDYSA-N 1 0 360.385 2.921 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)c1F ZINC001173184069 1012327028 /nfs/dbraw/zinc/32/70/28/1012327028.db2.gz CQNRFNKTAIDFOX-MJBXVCDLSA-N 1 0 351.422 2.557 20 5 FFBDRO CC[N@H+](CCn1ccnc1)[C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173192153 1012333749 /nfs/dbraw/zinc/33/37/49/1012333749.db2.gz IXTZMXLWYSKHCJ-ZDUSSCGKSA-N 1 0 350.394 2.892 20 5 FFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCCN(C(=O)C(F)(F)F)C1 ZINC001173221662 1012352634 /nfs/dbraw/zinc/35/26/34/1012352634.db2.gz OJYKDFLGKIAHGQ-DGCLKSJQSA-N 1 0 359.348 2.669 20 5 FFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCOCCNC(=O)OC(C)(C)C ZINC001173222239 1012356296 /nfs/dbraw/zinc/35/62/96/1012356296.db2.gz VLUMTDYIGFMXGM-CQSZACIVSA-N 1 0 367.446 2.657 20 5 FFBDRO COCCN1CC[N@@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)Cc2cccnc21 ZINC001173226343 1012362617 /nfs/dbraw/zinc/36/26/17/1012362617.db2.gz MAEDNHFKFQMDRO-INIZCTEOSA-N 1 0 370.453 2.889 20 5 FFBDRO c1nc(-c2nc(-c3ccc4ccc5cccnc5c4n3)no2)c2n1CC[NH2+]C2 ZINC001217213678 1032655104 /nfs/dbraw/zinc/65/51/04/1032655104.db2.gz BTNBEDQPJLCYHF-UHFFFAOYSA-N 1 0 369.388 2.800 20 5 FFBDRO c1nn2c(c1-c1nc(-c3ccc4ccc5cccnc5c4n3)no1)C[NH2+]CC2 ZINC001217219454 1032661792 /nfs/dbraw/zinc/66/17/92/1032661792.db2.gz VWSKRAVXXSKREQ-UHFFFAOYSA-N 1 0 369.388 2.800 20 5 FFBDRO O=C(NCc1cccc2c1CC[N@H+](Cc1ccsc1)C2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001051291391 1017270195 /nfs/dbraw/zinc/27/01/95/1017270195.db2.gz QRHPOIHAOUSHIE-QZTJIDSGSA-N 1 0 371.462 2.588 20 5 FFBDRO O=[N+]([O-])c1ccc2cc(-c3nc(-c4ccc5c(n4)CC[NH2+]C5)no3)[nH]c2c1 ZINC001217363025 1032710319 /nfs/dbraw/zinc/71/03/19/1032710319.db2.gz QDDDFGMEPZAXIC-UHFFFAOYSA-N 1 0 362.349 2.834 20 5 FFBDRO C[N@@H+]1CC[C@H]2CN(C(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)CC[C@H]21 ZINC000827331028 1017640342 /nfs/dbraw/zinc/64/03/42/1017640342.db2.gz VDEQQFDTMWLZEJ-XJKSGUPXSA-N 1 0 372.450 2.885 20 5 FFBDRO O=[N+]([O-])c1cccc2c(-c3nc(-c4ccc5c(n4)CC[NH2+]C5)no3)ccnc21 ZINC001217543752 1032777548 /nfs/dbraw/zinc/77/75/48/1032777548.db2.gz RUVYBHCVPYQVPI-UHFFFAOYSA-N 1 0 374.360 2.901 20 5 FFBDRO CC1([NH+]2CCCC2)CCC(NC(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000928013296 1018740517 /nfs/dbraw/zinc/74/05/17/1018740517.db2.gz KREIGHUGZVYQFY-UHFFFAOYSA-N 1 0 361.442 2.887 20 5 FFBDRO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@@](CO)(c3ccccc3)C2)c1 ZINC000801578510 1019134193 /nfs/dbraw/zinc/13/41/93/1019134193.db2.gz HHCDOGBQYHRRNV-HXUWFJFHSA-N 1 0 356.422 3.000 20 5 FFBDRO Cc1cc(F)cc(C(=O)N[C@H](CC[NH+](C)C)c2cccnc2)c1[N+](=O)[O-] ZINC000928838763 1019155038 /nfs/dbraw/zinc/15/50/38/1019155038.db2.gz NIBDKVZGFOTOEV-MRXNPFEDSA-N 1 0 360.389 2.860 20 5 FFBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000801860662 1019457553 /nfs/dbraw/zinc/45/75/53/1019457553.db2.gz NCSFWGYKWWLIRB-JHJVBQTASA-N 1 0 364.421 2.794 20 5 FFBDRO CCOC(=O)/C=C\CN(Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000930809327 1020197952 /nfs/dbraw/zinc/19/79/52/1020197952.db2.gz LZHWQVCGEMAKKR-IYINBOPBSA-N 1 0 362.426 2.820 20 5 FFBDRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001048525428 1020275864 /nfs/dbraw/zinc/27/58/64/1020275864.db2.gz UNVFIKCCQGOTJD-RHQZKXFESA-N 1 0 363.502 2.981 20 5 FFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CC[N@H+](Cc1cc3ccccc3s1)C2 ZINC001072725135 1020294898 /nfs/dbraw/zinc/29/48/98/1020294898.db2.gz IJELANDWCVQJLR-HZPDHXFCSA-N 1 0 371.462 2.601 20 5 FFBDRO CCCNC(=O)[C@@H]1CCC[N@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000777954791 1020327230 /nfs/dbraw/zinc/32/72/30/1020327230.db2.gz PYUFNPOGCFSWFA-MRXNPFEDSA-N 1 0 371.441 2.654 20 5 FFBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1C[C@]2(C)C[N@H+](C)C[C@]2(C)C1 ZINC000931308295 1020415477 /nfs/dbraw/zinc/41/54/77/1020415477.db2.gz SLXMNQOGOUOSOC-FASAQXTFSA-N 1 0 371.441 2.979 20 5 FFBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@@H](c2c[nH]c3ncccc23)C1 ZINC000931371093 1020442311 /nfs/dbraw/zinc/44/23/11/1020442311.db2.gz TVEXAVCJFAKOFO-CQSZACIVSA-N 1 0 367.409 2.512 20 5 FFBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@H](c2c[nH]c3ncccc23)C1 ZINC000931371092 1020443247 /nfs/dbraw/zinc/44/32/47/1020443247.db2.gz TVEXAVCJFAKOFO-AWEZNQCLSA-N 1 0 367.409 2.512 20 5 FFBDRO O=[N+]([O-])c1cc(Br)cc(F)c1O[C@@H]1CCC[NH2+]C[C@@H]1F ZINC001217950526 1032916168 /nfs/dbraw/zinc/91/61/68/1032916168.db2.gz PTSWGLHITOBVHO-GXSJLCMTSA-N 1 0 351.147 2.965 20 5 FFBDRO COc1cc([C@H](C)[NH2+][C@@H]2CCC[C@@H]3CN(C(C)=O)C[C@@H]32)cc([N+](=O)[O-])c1 ZINC000903172242 1020722314 /nfs/dbraw/zinc/72/23/14/1020722314.db2.gz OUFHDQLQEPLILC-JUUKFZBDSA-N 1 0 361.442 2.901 20 5 FFBDRO Cc1c(NC(=O)CC[NH+]2CCC(O)(C3CCC3)CC2)cccc1[N+](=O)[O-] ZINC000932817835 1020907703 /nfs/dbraw/zinc/90/77/03/1020907703.db2.gz PHVBICFQSBMAHI-UHFFFAOYSA-N 1 0 361.442 2.859 20 5 FFBDRO Cn1cc(CN2CCC(c3ccccc3)([NH+]3CCCC3)CC2)c([N+](=O)[O-])n1 ZINC000933549313 1021030133 /nfs/dbraw/zinc/03/01/33/1021030133.db2.gz GGWKTHXDYMOMNV-UHFFFAOYSA-N 1 0 369.469 2.915 20 5 FFBDRO CN(C(=O)OC(C)(C)C)[C@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000749810666 1021041933 /nfs/dbraw/zinc/04/19/33/1021041933.db2.gz MJHFEKUIQCZRGC-AWEZNQCLSA-N 1 0 365.430 2.915 20 5 FFBDRO O=C(C[NH2+][C@H]1CCOC12CCCCC2)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000933874562 1021106179 /nfs/dbraw/zinc/10/61/79/1021106179.db2.gz RROQYDMMSZBJTB-KRWDZBQOSA-N 1 0 359.426 2.565 20 5 FFBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001116507925 1021253706 /nfs/dbraw/zinc/25/37/06/1021253706.db2.gz VNJWGHWSWNBSAU-OAHLLOKOSA-N 1 0 366.849 2.670 20 5 FFBDRO C[C@H]1C[C@H](Oc2ccc([N+](=O)[O-])cc2I)CC[NH2+]1 ZINC001218051357 1032971222 /nfs/dbraw/zinc/97/12/22/1032971222.db2.gz YHDYJUQDAPQISU-WCBMZHEXSA-N 1 0 362.167 2.719 20 5 FFBDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000750095461 1021337693 /nfs/dbraw/zinc/33/76/93/1021337693.db2.gz YUKCXNWHXKVDQT-VQTJNVASSA-N 1 0 355.438 2.835 20 5 FFBDRO C[C@@H]1C[C@@H](Oc2ccc(I)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC001218060479 1032973667 /nfs/dbraw/zinc/97/36/67/1032973667.db2.gz MSLTUUHFBTYLDB-SCZZXKLOSA-N 1 0 362.167 2.719 20 5 FFBDRO Cc1c(Br)cnc(O[C@@H]2CCC[C@@H]3C[NH2+]C[C@@H]32)c1[N+](=O)[O-] ZINC001218145294 1033017160 /nfs/dbraw/zinc/01/71/60/1033017160.db2.gz OUDZDMSCJKQVSJ-JFGNBEQYSA-N 1 0 356.220 2.828 20 5 FFBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000042673851 1022182697 /nfs/dbraw/zinc/18/26/97/1022182697.db2.gz PVSUSFXMMNNXSM-SFHVURJKSA-N 1 0 374.416 2.833 20 5 FFBDRO CCOc1cc(N2CC[NH+](CC3CCC(O)CC3)CC2)ccc1[N+](=O)[O-] ZINC001118497792 1022263368 /nfs/dbraw/zinc/26/33/68/1022263368.db2.gz ZTEANCRCNXHOTC-UHFFFAOYSA-N 1 0 363.458 2.667 20 5 FFBDRO COc1ccc(CC[NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)cn1 ZINC001118808224 1022416321 /nfs/dbraw/zinc/41/63/21/1022416321.db2.gz PFBWJHKNRXEGTE-ZDUSSCGKSA-N 1 0 358.398 2.548 20 5 FFBDRO O=C(N[C@H]1C[C@H]([NH2+]C2c3ccccc3-c3ccccc32)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001020139089 1022564143 /nfs/dbraw/zinc/56/41/43/1022564143.db2.gz QCAXEQRSNYRDAM-YTFOQLDISA-N 1 0 363.417 2.658 20 5 FFBDRO O=C(COc1cccc([N+](=O)[O-])c1)NC1CCC([NH+]2CCCCC2)CC1 ZINC000750867289 1022679182 /nfs/dbraw/zinc/67/91/82/1022679182.db2.gz QHFWRSSLESYZHY-UHFFFAOYSA-N 1 0 361.442 2.887 20 5 FFBDRO Cc1cc(NC(=O)c2cc(F)ccc2[N+](=O)[O-])n(C2CC[NH+](C)CC2)n1 ZINC000750885990 1022717240 /nfs/dbraw/zinc/71/72/40/1022717240.db2.gz JEQHPYLWONSGRV-UHFFFAOYSA-N 1 0 361.377 2.758 20 5 FFBDRO O=C(NCC1([NH+]2CCCC2)CCOCC1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001119385534 1022731111 /nfs/dbraw/zinc/73/11/11/1022731111.db2.gz NNSMZXXYGJCJJL-UHFFFAOYSA-N 1 0 366.393 2.500 20 5 FFBDRO Cc1ccc(C[N@H+](CC2CC2)C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1 ZINC001039485568 1022760627 /nfs/dbraw/zinc/76/06/27/1022760627.db2.gz GEVSAFZQBMEKME-WOJBJXKFSA-N 1 0 371.481 2.863 20 5 FFBDRO Cc1cccc(C)c1C[NH+]1CCC2(CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 ZINC001040699740 1022954643 /nfs/dbraw/zinc/95/46/43/1022954643.db2.gz DXZCNQQYTCMGTP-IEBWSBKVSA-N 1 0 371.481 2.783 20 5 FFBDRO Cc1c(CO)cc([N+](=O)[O-])c(NC2CC[NH+](C3CCC3)CC2)c1[N+](=O)[O-] ZINC000829314043 1033094800 /nfs/dbraw/zinc/09/48/00/1033094800.db2.gz RZHKHSDHFHPWJB-UHFFFAOYSA-N 1 0 364.402 2.733 20 5 FFBDRO CCC(=O)[C@H]1C[C@@H](Oc2cc(C)c(Br)cc2[N+](=O)[O-])C[NH2+]1 ZINC001218323287 1033105060 /nfs/dbraw/zinc/10/50/60/1033105060.db2.gz FFCXDBLDGTYUBU-MWLCHTKSSA-N 1 0 357.204 2.754 20 5 FFBDRO [NH3+]CC1(c2ccccc2)CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001122359038 1023215157 /nfs/dbraw/zinc/21/51/57/1023215157.db2.gz QPRTVUYHUWRVGU-UHFFFAOYSA-N 1 0 353.422 2.656 20 5 FFBDRO CCOc1ccc(C(=O)N2CCC3(CCC[C@H]3C[NH3+])CC2)cc1[N+](=O)[O-] ZINC001122464157 1023287035 /nfs/dbraw/zinc/28/70/35/1023287035.db2.gz RPHMMYSIZVQPOS-HNNXBMFYSA-N 1 0 361.442 2.975 20 5 FFBDRO COc1cc(C(=O)c2ccc(C)cc2)cc([N+](=O)[O-])c1O[C@@H]1C[NH2+][C@@H]1C ZINC001218382995 1033130685 /nfs/dbraw/zinc/13/06/85/1033130685.db2.gz FJUOQAYRILOBQG-SJKOYZFVSA-N 1 0 356.378 2.882 20 5 FFBDRO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000754365951 1023460201 /nfs/dbraw/zinc/46/02/01/1023460201.db2.gz PLHLTOOQHIRUQU-PLDZHTBSSA-N 1 0 373.453 2.708 20 5 FFBDRO CC(C)(C)OC(=O)NC[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000754409151 1023466084 /nfs/dbraw/zinc/46/60/84/1023466084.db2.gz QUYKLORHVPRKSN-HOTGVXAUSA-N 1 0 365.430 2.521 20 5 FFBDRO C[NH+](C)Cc1ccc(NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)cc1F ZINC000754877257 1023531487 /nfs/dbraw/zinc/53/14/87/1023531487.db2.gz WLPOEVGOASPRLQ-UHFFFAOYSA-N 1 0 371.372 2.784 20 5 FFBDRO COc1c(=O)n2c3ccccc3c3ccnc(c32)c1O[C@@H]1CC[C@H](C)[NH2+]C1 ZINC001218407291 1033141604 /nfs/dbraw/zinc/14/16/04/1033141604.db2.gz LSCPSBPWIBOBCD-QWHCGFSZSA-N 1 0 363.417 2.967 20 5 FFBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000757790934 1023859915 /nfs/dbraw/zinc/85/99/15/1023859915.db2.gz SVCVSRODCJIYGX-TVQRCGJNSA-N 1 0 370.356 2.800 20 5 FFBDRO CC(C)CN(CC1CC[NH+](C)CC1)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000829568765 1033226843 /nfs/dbraw/zinc/22/68/43/1033226843.db2.gz LNOHNUBCSSHRNB-UHFFFAOYSA-N 1 0 373.457 2.911 20 5 FFBDRO COc1cccc(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000193810873 1024689360 /nfs/dbraw/zinc/68/93/60/1024689360.db2.gz ZIBCGBOGQLCKGQ-INIZCTEOSA-N 1 0 369.421 2.855 20 5 FFBDRO CC[C@H](C)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CC1 ZINC000837009255 1025498570 /nfs/dbraw/zinc/49/85/70/1025498570.db2.gz XTACIUQWOXCPRG-HNNXBMFYSA-N 1 0 360.458 2.751 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1COC[C@H]1CCC2(CC[NH+](C)CC2)O1 ZINC001223105026 1033291363 /nfs/dbraw/zinc/29/13/63/1033291363.db2.gz VXAHBAHFCRKWIU-MRXNPFEDSA-N 1 0 350.415 2.763 20 5 FFBDRO COC(=O)c1cc(C(=O)OCC[N@H+](C)Cc2ccccc2)cc([N+](=O)[O-])c1 ZINC000837344899 1025736054 /nfs/dbraw/zinc/73/60/54/1025736054.db2.gz WQUNAZWGOMMWDB-UHFFFAOYSA-N 1 0 372.377 2.670 20 5 FFBDRO CCOC(=O)[C@@H](Cc1ccccc1)N(C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000246202662 1025871478 /nfs/dbraw/zinc/87/14/78/1025871478.db2.gz BGRMQBJTJMHZIT-RTBURBONSA-N 1 0 372.421 2.734 20 5 FFBDRO Cc1cc(C(=O)Nc2ccc(OCC[NH+](C)C)c(C)c2)c(N)c([N+](=O)[O-])c1 ZINC000838178798 1026245627 /nfs/dbraw/zinc/24/56/27/1026245627.db2.gz XUGLRXUNTCKVTA-UHFFFAOYSA-N 1 0 372.425 2.987 20 5 FFBDRO O=[N+]([O-])c1cn(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)nc1-c1ccncc1 ZINC000840113702 1026962213 /nfs/dbraw/zinc/96/22/13/1026962213.db2.gz CBQUNPLTBXKMRI-NUJGCVRESA-N 1 0 371.441 2.826 20 5 FFBDRO Cc1nn(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)c2ncc([N+](=O)[O-])cc12 ZINC000840117173 1026965239 /nfs/dbraw/zinc/96/52/39/1026965239.db2.gz SKSGVOHMYIMWDP-OIISXLGYSA-N 1 0 359.430 2.621 20 5 FFBDRO C[C@@]12C[N@H+](Cn3cnc(-c4cccc([N+](=O)[O-])c4)n3)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000840118172 1026965838 /nfs/dbraw/zinc/96/58/38/1026965838.db2.gz YCKVLLQQJAOVRS-PBYMTVQHSA-N 1 0 351.410 2.955 20 5 FFBDRO Cc1nn(CN2CC[N@H+](Cc3ccccc3)C[C@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000840135355 1026975788 /nfs/dbraw/zinc/97/57/88/1026975788.db2.gz OHECVOYNLOHJRO-HNNXBMFYSA-N 1 0 357.458 2.820 20 5 FFBDRO O=[N+]([O-])c1ccc2cnn(C[N@@H+]3CCC[C@@H]4CC5(CC[C@@H]43)OCCO5)c2c1 ZINC000840138615 1026978676 /nfs/dbraw/zinc/97/86/76/1026978676.db2.gz RSRBOTAPTKCMLP-PBHICJAKSA-N 1 0 372.425 2.910 20 5 FFBDRO [NH3+]Cc1ccc2c(n1)N(C(F)(F)c1cc([N+](=O)[O-])cnc1Cl)CCC2 ZINC001158649507 1027083713 /nfs/dbraw/zinc/08/37/13/1027083713.db2.gz LSMUMYNJQRZGQY-UHFFFAOYSA-N 1 0 369.759 2.999 20 5 FFBDRO COc1cnc(N2CCC3(CC2)[NH2+]CCc2ccccc23)c([N+](=O)[O-])c1 ZINC001159010811 1027227620 /nfs/dbraw/zinc/22/76/20/1027227620.db2.gz OWTKEJMVUQFMSL-UHFFFAOYSA-N 1 0 354.410 2.640 20 5 FFBDRO CCOC(=O)c1cc(Nc2ccc(O[C@@H]3CC[NH2+]C3)nc2)cc([N+](=O)[O-])c1 ZINC001159333690 1027356443 /nfs/dbraw/zinc/35/64/43/1027356443.db2.gz GTBDNMZNPASGBO-MRXNPFEDSA-N 1 0 372.381 2.651 20 5 FFBDRO Cc1c(Nc2cccc(N3CC[NH2+]CC3)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001159856957 1027519772 /nfs/dbraw/zinc/51/97/72/1027519772.db2.gz WMKFQGMRQFSLFT-UHFFFAOYSA-N 1 0 357.370 2.965 20 5 FFBDRO Cc1nn(C[N@@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)c(C)c1[N+](=O)[O-] ZINC000795690967 1027815131 /nfs/dbraw/zinc/81/51/31/1027815131.db2.gz BTNPHBLLINVNRF-KZNAEPCWSA-N 1 0 356.426 2.870 20 5 FFBDRO COc1cccc(CC2([NH3+])CCN(c3ncc([N+](=O)[O-])cc3C)CC2)c1 ZINC001162045825 1028412773 /nfs/dbraw/zinc/41/27/73/1028412773.db2.gz NMMIFQXCUBLVLW-UHFFFAOYSA-N 1 0 356.426 2.847 20 5 FFBDRO [NH3+][C@H]1CC[C@H](N(Cc2ccncc2)c2ncc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001162194856 1028465097 /nfs/dbraw/zinc/46/50/97/1028465097.db2.gz ALQTUDQRGDOISS-HDJSIYSDSA-N 1 0 372.385 2.570 20 5 FFBDRO Cc1cc(Cl)c([N+](=O)[O-])c(-n2nc(C(F)(F)F)c3c2CC[NH2+]C3)n1 ZINC001154849173 1028483037 /nfs/dbraw/zinc/48/30/37/1028483037.db2.gz GFOUCIOELSVMDO-UHFFFAOYSA-N 1 0 361.711 2.802 20 5 FFBDRO O=[N+]([O-])c1cnc(Cl)c(C(F)(F)n2cncc2C2CC[NH2+]CC2)c1 ZINC001155057676 1028562447 /nfs/dbraw/zinc/56/24/47/1028562447.db2.gz MJFWOFCIWLMCGK-UHFFFAOYSA-N 1 0 357.748 2.904 20 5 FFBDRO CCOC1(OCC)CC[NH2+]C[C@@H]1Nc1nccc2c1ccc(C)c2[N+](=O)[O-] ZINC001162725882 1028634036 /nfs/dbraw/zinc/63/40/36/1028634036.db2.gz ORGWVOJBNQVXFN-INIZCTEOSA-N 1 0 374.441 2.995 20 5 FFBDRO O=C(N[C@@H]1c2ccccc2CC[C@@H]1[NH+]1CCCC1)c1cc([N+](=O)[O-])c[nH]1 ZINC001162881361 1028693402 /nfs/dbraw/zinc/69/34/02/1028693402.db2.gz WWDSTJVMLBOXJD-ZWKOTPCHSA-N 1 0 354.410 2.805 20 5 FFBDRO C[C@@H]([NH3+])c1ccc2c(ccn2-c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])c1 ZINC001162914263 1028709366 /nfs/dbraw/zinc/70/93/66/1028709366.db2.gz QVGPENGUAQMEEE-LLVKDONJSA-N 1 0 359.407 2.962 20 5 FFBDRO Cc1ccc2c(c1)[C@H](Nc1c(F)c([N+](=O)[O-])cc[n+]1[O-])CC21CC[NH2+]CC1 ZINC001163023799 1028762902 /nfs/dbraw/zinc/76/29/02/1028762902.db2.gz OCSNLWQRDFGBMW-OAHLLOKOSA-N 1 0 372.400 2.854 20 5 FFBDRO O=[N+]([O-])c1c(Cl)c2ccccc2nc1NC[C@H]1OC[C@H]2C[NH2+]CC[C@H]21 ZINC001155524021 1028776338 /nfs/dbraw/zinc/77/63/38/1028776338.db2.gz XYOZKBKWLUDQHH-JTNHKYCSSA-N 1 0 362.817 2.833 20 5 FFBDRO O=[N+]([O-])c1cc2c(Cl)ncnc2cc1N[C@@H]1CCO[C@]2(CC[NH2+]C2)C1 ZINC001155618893 1028820156 /nfs/dbraw/zinc/82/01/56/1028820156.db2.gz NDPMIDGKSXFHRL-QLJPJBMISA-N 1 0 363.805 2.514 20 5 FFBDRO COc1cccc([C@H](C[NH3+])Nc2cc(/C=C/N(C)C)c([N+](=O)[O-])cn2)c1 ZINC001163309621 1028885785 /nfs/dbraw/zinc/88/57/85/1028885785.db2.gz NIRDCOMBSWFDCU-WAVCKPEOSA-N 1 0 357.414 2.643 20 5 FFBDRO O=[N+]([O-])c1cc(N[C@@H]2CCO[C@@]3(CC[NH2+]C3)C2)ccc1OC(F)(F)F ZINC001163322037 1028892620 /nfs/dbraw/zinc/89/26/20/1028892620.db2.gz GAAIGSYKJGBYAQ-RISCZKNCSA-N 1 0 361.320 2.816 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)nc(N2CCC(COCC[NH+]3CCCC3)CC2)c1 ZINC001163880234 1029101336 /nfs/dbraw/zinc/10/13/36/1029101336.db2.gz VKSVXKUJSJKZIN-UHFFFAOYSA-N 1 0 368.865 2.972 20 5 FFBDRO COc1nc(SC)nc(NCc2cccc(C[NH+](C)C)c2)c1[N+](=O)[O-] ZINC001163992649 1029136786 /nfs/dbraw/zinc/13/67/86/1029136786.db2.gz HXWMHHZMQHJXPY-UHFFFAOYSA-N 1 0 363.443 2.789 20 5 FFBDRO C[Si](C)(C)CCOC[NH2+][C@@H]1CCCN(c2cc([N+](=O)[O-])ccn2)C1 ZINC001156464104 1029202855 /nfs/dbraw/zinc/20/28/55/1029202855.db2.gz COSZONXOCCGAOV-CQSZACIVSA-N 1 0 352.511 2.861 20 5 FFBDRO CC[N+](C)(C)Cc1ccccc1NC1CCN(S(=O)(=O)CC)CC1 ZINC001164322194 1029244645 /nfs/dbraw/zinc/24/46/45/1029244645.db2.gz PSAVEMLVYGMHDQ-UHFFFAOYSA-N 1 0 354.540 2.509 20 5 FFBDRO C[C@@H]1CC[C@H](C[NH3+])CN1c1nc(C(F)(F)F)nc(Cl)c1[N+](=O)[O-] ZINC001164473924 1029288013 /nfs/dbraw/zinc/28/80/13/1029288013.db2.gz LBASHTNLDIMOOJ-RNFRBKRXSA-N 1 0 353.732 2.621 20 5 FFBDRO C[NH2+]CCNC(F)(F)c1cc(-c2ccc([N+](=O)[O-])cc2)nnc1Cl ZINC001156897367 1029395460 /nfs/dbraw/zinc/39/54/60/1029395460.db2.gz MGLICIYARROVSF-UHFFFAOYSA-N 1 0 357.748 2.564 20 5 FFBDRO CCc1cc(N2C[C@@H]3C[NH+](C)C[C@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001165148622 1029421649 /nfs/dbraw/zinc/42/16/49/1029421649.db2.gz JTJRZYDXCSYKIX-GJZGRUSLSA-N 1 0 353.426 2.612 20 5 FFBDRO O=[N+]([O-])c1cnc(N(Cc2ccccc2)[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001157425546 1029582082 /nfs/dbraw/zinc/58/20/82/1029582082.db2.gz ADKFNOKAMKOXIP-AWEZNQCLSA-N 1 0 357.370 2.657 20 5 FFBDRO Cc1c[nH+]ccc1N1CCN(c2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC001158107938 1029735425 /nfs/dbraw/zinc/73/54/25/1029735425.db2.gz MATVAJXDVLCABJ-UHFFFAOYSA-N 1 0 350.382 2.568 20 5 FFBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N2CCCCC23CC[NH2+]CC3)n1 ZINC001165337779 1029948561 /nfs/dbraw/zinc/94/85/61/1029948561.db2.gz RNYZILJNWYSPLJ-UHFFFAOYSA-N 1 0 357.867 2.873 20 5 FFBDRO C[C@H]1CCC[C@@](CNC(=O)Cc2cccc(F)c2[N+](=O)[O-])([NH+](C)C)C1 ZINC001142066936 1029955631 /nfs/dbraw/zinc/95/56/31/1029955631.db2.gz ZYQFPTPEZDIGRV-SCLBCKFNSA-N 1 0 351.422 2.903 20 5 FFBDRO Cc1cc(N2CCC(C3C[NH2+]C3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001165411064 1029970505 /nfs/dbraw/zinc/97/05/05/1029970505.db2.gz BWSBPXPFULLLES-UHFFFAOYSA-N 1 0 353.426 2.796 20 5 FFBDRO Cc1cccc(N(c2cc(N)c([N+](=O)[O-])cn2)[C@@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC001165772624 1030118431 /nfs/dbraw/zinc/11/84/31/1030118431.db2.gz HVAWTZPXOWYNAX-HNAYVOBHSA-N 1 0 369.425 2.540 20 5 FFBDRO Cc1cccc(N(c2ncc([N+](=O)[O-])c(C)n2)[C@@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001165774460 1030120249 /nfs/dbraw/zinc/12/02/49/1030120249.db2.gz CXVGOBIUTSHOOC-LPHOPBHVSA-N 1 0 369.425 2.661 20 5 FFBDRO CC(C)(NC(=O)Nc1cccc(OCC[NH3+])c1)c1ccccc1[N+](=O)[O-] ZINC000841282295 1030156069 /nfs/dbraw/zinc/15/60/69/1030156069.db2.gz QQSQZPDZPYFMHR-UHFFFAOYSA-N 1 0 358.398 2.989 20 5 FFBDRO O=[N+]([O-])c1cccc2ccc(-n3cc4c(cccc4N4CC[NH2+]CC4)n3)nc21 ZINC001166992006 1030601674 /nfs/dbraw/zinc/60/16/74/1030601674.db2.gz SAPJLOYIWVPFIB-UHFFFAOYSA-N 1 0 374.404 2.892 20 5 FFBDRO CC(C)[N@@H+]1CCC[C@@H](COC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000842833290 1030979716 /nfs/dbraw/zinc/97/97/16/1030979716.db2.gz KKOMLJVIWQMVFI-CYBMUJFWSA-N 1 0 364.398 2.643 20 5 FFBDRO CC(C)Oc1ccc([C@H](O)C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000843080910 1031173811 /nfs/dbraw/zinc/17/38/11/1031173811.db2.gz KNYBKKGGHJKVGP-RTBURBONSA-N 1 0 360.410 2.739 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@]2(CO)C[C@@H]2c2ccc(F)cc2)c1 ZINC000843110878 1031188113 /nfs/dbraw/zinc/18/81/13/1031188113.db2.gz OWDDMMQIYDIROG-GUDVDZBRSA-N 1 0 360.385 2.523 20 5 FFBDRO [NH3+]C1CCN(c2ccc(-c3noc(-c4ccc([N+](=O)[O-])[nH]4)n3)cc2)CC1 ZINC000843142669 1031208311 /nfs/dbraw/zinc/20/83/11/1031208311.db2.gz HFRQJVYIBHHKMS-UHFFFAOYSA-N 1 0 354.370 2.567 20 5 FFBDRO C[N+](C)(C)C[C@H](O)CC(=O)OCC(=O)c1ccc(-c2ccccc2)cc1 ZINC001204815619 1031445886 /nfs/dbraw/zinc/44/58/86/1031445886.db2.gz KLSAHMNSRCLBLY-LJQANCHMSA-N 1 0 356.442 2.537 20 5 FFBDRO C[NH+]1C[C@@]2(C)CN(C(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)C[C@]2(C)C1 ZINC001149672985 1031568655 /nfs/dbraw/zinc/56/86/55/1031568655.db2.gz XROOWXMAKSWTQB-OALUTQOASA-N 1 0 363.433 2.812 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C[C@H](N1CCOCC1)C(F)(F)F ZINC001205729756 1031958650 /nfs/dbraw/zinc/95/86/50/1031958650.db2.gz VAXGALFWCUZBPI-ZDUSSCGKSA-N 1 0 367.755 2.601 20 5 FFBDRO COC(=O)c1cccc(COC2CCN(c3cc[nH+]cc3)CC2)c1[N+](=O)[O-] ZINC001223662162 1033541864 /nfs/dbraw/zinc/54/18/64/1033541864.db2.gz BVHDOYHJDHWLFH-UHFFFAOYSA-N 1 0 371.393 2.962 20 5 FFBDRO Cc1ccccc1[C@H]([C@H](C)NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000830729544 1033767095 /nfs/dbraw/zinc/76/70/95/1033767095.db2.gz WMJLXYSLANKICA-ZOCIIQOWSA-N 1 0 371.437 2.744 20 5 FFBDRO CC(C)(C)[NH+]1CCC(OCC(=O)OCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001224989012 1034081969 /nfs/dbraw/zinc/08/19/69/1034081969.db2.gz JEOXYZHNOXZGMR-UHFFFAOYSA-N 1 0 350.415 2.918 20 5 FFBDRO C[C@H](C[N+](C)(C)C)Oc1ccc2c(n1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001225538538 1034296986 /nfs/dbraw/zinc/29/69/86/1034296986.db2.gz REVWRWPDCUHCAQ-OAHLLOKOSA-N 1 0 364.510 2.891 20 5 FFBDRO COCC[NH+]1CCC(Oc2cccc([N+](=O)[O-])c2Br)CC1 ZINC001225762111 1034400226 /nfs/dbraw/zinc/40/02/26/1034400226.db2.gz ZEFVAHMVIKWMOF-UHFFFAOYSA-N 1 0 359.220 2.847 20 5 FFBDRO CC1([NH+]2CCCCC2)CCN(C(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000832243362 1034668581 /nfs/dbraw/zinc/66/85/81/1034668581.db2.gz PBEODNXNVQTBRX-UHFFFAOYSA-N 1 0 360.458 2.874 20 5 FFBDRO C[N@@H+]1CCC[C@H](Oc2ccccc2C(=O)Nc2ncc([N+](=O)[O-])s2)C1 ZINC001227514917 1035592645 /nfs/dbraw/zinc/59/26/45/1035592645.db2.gz DWCQRYBHSFUWSO-NSHDSACASA-N 1 0 362.411 2.777 20 5 FFBDRO Cc1cc2[nH]c(OC[C@@H]3CCC4(CC[NH+](C)CC4)O3)nc2cc1[N+](=O)[O-] ZINC001228672090 1036245024 /nfs/dbraw/zinc/24/50/24/1036245024.db2.gz PCPAXLVUTLFQRG-ZDUSSCGKSA-N 1 0 360.414 2.802 20 5 FFBDRO O=c1[nH]nc(O[C@H]2CC[N@H+](Cc3ccccc3)C2)c2c1cccc2[N+](=O)[O-] ZINC001229374606 1036638959 /nfs/dbraw/zinc/63/89/59/1036638959.db2.gz PPFOHBMLRWFUOQ-AWEZNQCLSA-N 1 0 366.377 2.897 20 5 FFBDRO COc1cc(CC[N+](=O)[O-])ccc1OC[C@H]1CCC2(CC[NH+](C)CC2)O1 ZINC001233983311 1036854816 /nfs/dbraw/zinc/85/48/16/1036854816.db2.gz TVGCPPINPDMFPT-MRXNPFEDSA-N 1 0 364.442 2.537 20 5 FFBDRO COc1cc(CC[N+](=O)[O-])ccc1O[C@H]1CC[C@H]([NH+]2CCOCC2)CC1 ZINC001233987601 1036856401 /nfs/dbraw/zinc/85/64/01/1036856401.db2.gz RHWBUZARNDLGGJ-QAQDUYKDSA-N 1 0 364.442 2.537 20 5 FFBDRO CC(=O)O[C@@H]1C[C@@H]2C[C@H](Oc3cc([N+](=O)[O-])c(C)cc3F)C[C@H]1[N@@H+]2C ZINC001234058528 1036898313 /nfs/dbraw/zinc/89/83/13/1036898313.db2.gz FNQRIUHWEAQXCT-ZILJWTLNSA-N 1 0 352.362 2.588 20 5 FFBDRO Cc1ccc(CNC(=O)N[C@H](CC[NH+](C)C)c2cccnc2)cc1[N+](=O)[O-] ZINC001234582860 1037099775 /nfs/dbraw/zinc/09/97/75/1037099775.db2.gz RVQURUYRXFIDDY-QGZVFWFLSA-N 1 0 371.441 2.790 20 5 FFBDRO COc1cc(O)cc2oc3cc(O)c(O[C@@H](C)C[NH+](C)C)cc3c(=O)c12 ZINC001234801144 1037184876 /nfs/dbraw/zinc/18/48/76/1037184876.db2.gz PIDVWHYLZRVVLT-JTQLQIEISA-N 1 0 359.378 2.695 20 5 FFBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc(-c2cccc([N+](=O)[O-])c2)cc1 ZINC001230938631 1037414116 /nfs/dbraw/zinc/41/41/16/1037414116.db2.gz ATZDCOSPUWRQEM-QGZVFWFLSA-N 1 0 359.402 2.624 20 5 FFBDRO CC1CC[NH+](CCc2nnc(-c3cc4nsnc4c([N+](=O)[O-])c3)o2)CC1 ZINC001257896591 1039047079 /nfs/dbraw/zinc/04/70/79/1039047079.db2.gz BXKJIPCHMSVKQB-UHFFFAOYSA-N 1 0 374.426 2.924 20 5 FFBDRO C[C@@H]1C[N@@H+](CCc2nnc(-c3cc([N+](=O)[O-])c(F)cc3F)o2)C[C@H](C)O1 ZINC001258139441 1039219333 /nfs/dbraw/zinc/21/93/33/1039219333.db2.gz SHMYFVBDKVLGHS-AOOOYVTPSA-N 1 0 368.340 2.575 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@H]1CCCC[C@@]13CNCCO3)CC2 ZINC001246160908 1039262731 /nfs/dbraw/zinc/26/27/31/1039262731.db2.gz PXADDQOZKFYWBY-YSIASYRMSA-N 1 0 359.470 2.733 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C[C@@H](N)Cc2ccccc2)c1F ZINC001246299962 1039302442 /nfs/dbraw/zinc/30/24/42/1039302442.db2.gz NQOOFENYBWEOFD-HIFRSBDPSA-N 1 0 361.417 2.833 20 5 FFBDRO C[C@H]1CC[C@@H](CN)[N@@H+]1C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001246546049 1039389885 /nfs/dbraw/zinc/38/98/85/1039389885.db2.gz MNJMJTRVYYNPOL-AAEUAGOBSA-N 1 0 354.401 2.653 20 5 FFBDRO N[C@@H]1CC[N@@H+](C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)CC[C@@H]1F ZINC001246572808 1039402352 /nfs/dbraw/zinc/40/23/52/1039402352.db2.gz UVDNNOUDXGLPRA-XJKSGUPXSA-N 1 0 372.391 2.603 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CC[C@H]3[NH2+]CCC[C@@H]3C2)c1F ZINC001247006817 1039575133 /nfs/dbraw/zinc/57/51/33/1039575133.db2.gz AZBBGNLDDHBLJE-GZBFAFLISA-N 1 0 351.422 2.747 20 5 FFBDRO c1cnc2c(c1)ccc1ccc(-c3noc(CNC4CC[NH2+]CC4)n3)nc12 ZINC001247703957 1039906935 /nfs/dbraw/zinc/90/69/35/1039906935.db2.gz QXYXOLUTZZYOBB-UHFFFAOYSA-N 1 0 360.421 2.675 20 5 FFBDRO Cc1ccccc1C[C@@H]([NH3+])Cc1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001248178790 1040159107 /nfs/dbraw/zinc/15/91/07/1040159107.db2.gz PRNIMOXZTUBNRI-CYBMUJFWSA-N 1 0 357.345 2.600 20 5 FFBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@H]2C[NH2+]C[C@@H]2c2ccc(F)cc2)n1 ZINC001249232481 1040641841 /nfs/dbraw/zinc/64/18/41/1040641841.db2.gz OLILETNHBVHGLJ-OLZOCXBDSA-N 1 0 373.319 2.789 20 5 FFBDRO [NH3+][C@@]1(c2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)CCc2cc(F)ccc2C1 ZINC001249277219 1040664752 /nfs/dbraw/zinc/66/47/52/1040664752.db2.gz KAUJXIIRAHRESH-KRWDZBQOSA-N 1 0 373.319 2.661 20 5 FFBDRO COc1cnc(-c2noc(C[C@@H]([NH3+])c3ccccc3[N+](=O)[O-])n2)c(C)c1 ZINC001249343272 1040692072 /nfs/dbraw/zinc/69/20/72/1040692072.db2.gz ZBYMEOBWZDRFCW-CYBMUJFWSA-N 1 0 355.354 2.599 20 5 FFBDRO [NH3+][C@H]1Cc2ccccc2N(C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254465246 1040734080 /nfs/dbraw/zinc/73/40/80/1040734080.db2.gz VRPFPCJQIBVBDU-INIZCTEOSA-N 1 0 352.438 2.954 20 5 FFBDRO Cc1nnc2ccc(C[NH2+]C3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cn12 ZINC001254472924 1040739786 /nfs/dbraw/zinc/73/97/86/1040739786.db2.gz VMCZDVXOVVEOJX-UHFFFAOYSA-N 1 0 366.425 2.705 20 5 FFBDRO COc1cnccc1CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254472531 1040740819 /nfs/dbraw/zinc/74/08/19/1040740819.db2.gz BWLUCWHBIVEOIZ-UHFFFAOYSA-N 1 0 356.426 2.800 20 5 FFBDRO COC(=O)[C@@H]1CCC[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)[C@@H]1C ZINC001254479694 1040744278 /nfs/dbraw/zinc/74/42/78/1040744278.db2.gz HWLIDPOPHJSTBW-RDTXWAMCSA-N 1 0 361.442 2.837 20 5 FFBDRO CCOC(=O)Cn1nc(C)c(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])c1C ZINC001254550429 1040793380 /nfs/dbraw/zinc/79/33/80/1040793380.db2.gz JQFAAEMQERZQPQ-ZDUSSCGKSA-N 1 0 374.441 2.692 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N(c1ncc(F)cn1)C1CC[NH2+]CC1 ZINC001254563838 1040803596 /nfs/dbraw/zinc/80/35/96/1040803596.db2.gz DYCTVSOHZNKTPT-ZDUSSCGKSA-N 1 0 359.405 2.714 20 5 FFBDRO COc1cccc(N2CC[NH+]([C@H](C)Cc3ccccc3[N+](=O)[O-])CC2)n1 ZINC001254568371 1040804284 /nfs/dbraw/zinc/80/42/84/1040804284.db2.gz ZMTSYGUILJCYDR-OAHLLOKOSA-N 1 0 356.426 2.752 20 5 FFBDRO COc1cc(C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)ccc1OC1COC1 ZINC001254575609 1040809957 /nfs/dbraw/zinc/80/99/57/1040809957.db2.gz RUKIORDTVDIMQS-MRXNPFEDSA-N 1 0 370.405 2.638 20 5 FFBDRO COCCOc1ccc(C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)cc1OC ZINC001254587984 1040818315 /nfs/dbraw/zinc/81/83/15/1040818315.db2.gz UETJORUWTOBYKD-KRWDZBQOSA-N 1 0 372.421 2.886 20 5 FFBDRO [NH3+][C@H]1CC[C@H](N(c2ccncn2)[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254587099 1040818827 /nfs/dbraw/zinc/81/88/27/1040818827.db2.gz VLQVWHKTNQLBPT-JFIYKMOQSA-N 1 0 353.426 2.629 20 5 FFBDRO CC(C)(C)OC(=O)NC12CC([NH2+][C@H]3Cc4ccc([N+](=O)[O-])cc4C3)(C1)C2 ZINC001254589826 1040819895 /nfs/dbraw/zinc/81/98/95/1040819895.db2.gz RRHYSNMUCKNODW-YCMKEVRSSA-N 1 0 359.426 2.851 20 5 FFBDRO CN1c2ccccc2[C@@]2(CC[N@@H+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)C1=O ZINC001254594676 1040821509 /nfs/dbraw/zinc/82/15/09/1040821509.db2.gz HADLFLYZPCGMGA-UWJYYQICSA-N 1 0 363.417 2.682 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH+]1C[C@H]3CN(Cc4cccnc4)C[C@@H]3C1)C2 ZINC001254599384 1040829066 /nfs/dbraw/zinc/82/90/66/1040829066.db2.gz YNFPGGMGPPABAK-SFHLNBCPSA-N 1 0 364.449 2.521 20 5 FFBDRO COc1cccc(CN2CC[NH+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC2)c1 ZINC001254602439 1040831736 /nfs/dbraw/zinc/83/17/36/1040831736.db2.gz FWIXHWWSOMZQCJ-HXUWFJFHSA-N 1 0 367.449 2.888 20 5 FFBDRO Cc1cc(OC2CC[NH+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC2)ncn1 ZINC001254605665 1040834632 /nfs/dbraw/zinc/83/46/32/1040834632.db2.gz BZQQCNATPOTBBG-KRWDZBQOSA-N 1 0 354.410 2.704 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H](n1c3ccccc3nc1N1CC[NH2+]CC1)C2 ZINC001254608919 1040837301 /nfs/dbraw/zinc/83/73/01/1040837301.db2.gz TZVBZGUHXGJPRJ-QGZVFWFLSA-N 1 0 363.421 2.694 20 5 FFBDRO Cc1cncnc1O[C@@H]1CCC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254612420 1040841156 /nfs/dbraw/zinc/84/11/56/1040841156.db2.gz WEDBVAWMABQSAQ-ZWKOTPCHSA-N 1 0 354.410 2.704 20 5 FFBDRO Cc1cnc(OC2CC[NH+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC2)nc1 ZINC001254611993 1040841688 /nfs/dbraw/zinc/84/16/88/1040841688.db2.gz UHVSIZVGDNSJER-KRWDZBQOSA-N 1 0 354.410 2.704 20 5 FFBDRO C[NH+]1CCN(c2ccc3[nH]c(Cc4cccc([N+](=O)[O-])c4)nc3c2)CC1 ZINC001250594156 1041262760 /nfs/dbraw/zinc/26/27/60/1041262760.db2.gz AHJWWWZHHMUAJK-UHFFFAOYSA-N 1 0 351.410 2.814 20 5 FFBDRO O=C(Nc1ccc([C@H]2C[NH2+]CCO2)cc1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001261630304 1041340953 /nfs/dbraw/zinc/34/09/53/1041340953.db2.gz IUEICYPLIJTIOL-GOSISDBHSA-N 1 0 368.393 2.803 20 5 FFBDRO CC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[NH+](Cc2ccccc2C2CC2)CC1 ZINC001278607674 1041404367 /nfs/dbraw/zinc/40/43/67/1041404367.db2.gz NWAGZDAVFUUKBI-RTBURBONSA-N 1 0 371.481 2.948 20 5 FFBDRO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cc(C(F)(F)F)ccc3[N+](=O)[O-])[C@H]2C1 ZINC001262826548 1041880804 /nfs/dbraw/zinc/88/08/04/1041880804.db2.gz MCTONCAHEVUKKL-TVYUQYBPSA-N 1 0 357.332 2.684 20 5 FFBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC001263106593 1042107117 /nfs/dbraw/zinc/10/71/17/1042107117.db2.gz AFZKFNCSGOUDJU-JKSUJKDBSA-N 1 0 357.435 2.884 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N3CCC4(C[NH2+]C4)CC3)cc2[N+](=O)[O-])CC1 ZINC001263151625 1042134882 /nfs/dbraw/zinc/13/48/82/1042134882.db2.gz GZSGXNVQYXQLFW-UHFFFAOYSA-N 1 0 372.469 2.657 20 5 FFBDRO CC(C)c1ccc(C(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)cc1[N+](=O)[O-] ZINC001263188390 1042158429 /nfs/dbraw/zinc/15/84/29/1042158429.db2.gz OXBSLSCAOYUWSN-HNNXBMFYSA-N 1 0 361.442 2.607 20 5 FFBDRO O=C(COc1ccccc1[N+](=O)[O-])N1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC001263214294 1042176720 /nfs/dbraw/zinc/17/67/20/1042176720.db2.gz NNDQSRRAOZSUGZ-OAHLLOKOSA-N 1 0 361.442 2.602 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC(C[NH3+])(c3ccccc3)CC2)c1 ZINC001263237608 1042191945 /nfs/dbraw/zinc/19/19/45/1042191945.db2.gz OVCBRZQRBHQGLD-UHFFFAOYSA-N 1 0 369.421 2.736 20 5 FFBDRO CC(C)[NH+](CCNC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)C(C)C ZINC001539244763 1070594797 /nfs/dbraw/zinc/59/47/97/1070594797.db2.gz XNCOFCYZVRUKAB-UHFFFAOYSA-N 1 0 359.430 2.834 20 5 FFBDRO Cc1c(C)c(C)c(C[N@H+](C)CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c(C)c1C ZINC001316823409 1044787256 /nfs/dbraw/zinc/78/72/56/1044787256.db2.gz JTAYIPMZYWHGIM-IEBWSBKVSA-N 1 0 361.486 2.832 20 5 FFBDRO Cc1cc(C[N@H+](C)CCC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cs1 ZINC001319876823 1045291464 /nfs/dbraw/zinc/29/14/64/1045291464.db2.gz RGZYHMSMNVRPBA-IAGOWNOFSA-N 1 0 365.499 2.782 20 5 FFBDRO Cc1cc(N2CCN(c3c(C)cncc3[N+](=O)[O-])CC2)nc(C(C)C)n1 ZINC001320575799 1045430924 /nfs/dbraw/zinc/43/09/24/1045430924.db2.gz JUXRYIPZHVQEPL-UHFFFAOYSA-N 1 0 356.430 2.847 20 5 FFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](CO)CC1CCOCC1 ZINC001321013956 1045513086 /nfs/dbraw/zinc/51/30/86/1045513086.db2.gz ARTNSAKABKHZGU-DOTOQJQBSA-N 1 0 350.459 2.931 20 5 FFBDRO CC(C)(C)[NH+]1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC001323928264 1045779318 /nfs/dbraw/zinc/77/93/18/1045779318.db2.gz HYEGXDYMZHAXOW-UHFFFAOYSA-N 1 0 351.422 2.954 20 5 FFBDRO C[C@@H]1CCCN(C(=O)CC[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC001322121235 1045959564 /nfs/dbraw/zinc/95/95/64/1045959564.db2.gz PBJHROOALGGGAI-OWCLPIDISA-N 1 0 363.462 2.513 20 5 FFBDRO CC(C)N(CC[N@H+](C)Cc1cccc(C(F)F)c1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001284533613 1046564251 /nfs/dbraw/zinc/56/42/51/1046564251.db2.gz OLPJNPQJSVRAQX-HZPDHXFCSA-N 1 0 369.412 2.958 20 5 FFBDRO CC(C)n1cc2c(n1)[C@@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])CCC2 ZINC001325881349 1046673357 /nfs/dbraw/zinc/67/33/57/1046673357.db2.gz WKIRPBQFDLDSPQ-HOTGVXAUSA-N 1 0 374.441 2.779 20 5 FFBDRO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)c1cccc([N+](=O)[O-])c1Br ZINC001326343980 1046887075 /nfs/dbraw/zinc/88/70/75/1046887075.db2.gz OTFNSBXFWDKKSJ-RYUDHWBXSA-N 1 0 370.247 2.960 20 5 FFBDRO CC(C)(NC(=O)c1ccn(-c2cc[nH+]cc2)n1)c1ccc([N+](=O)[O-])cc1 ZINC001326416699 1046924132 /nfs/dbraw/zinc/92/41/32/1046924132.db2.gz YOIYJNLNACGION-UHFFFAOYSA-N 1 0 351.366 2.841 20 5 FFBDRO CS[C@@H]1CN(c2ncnc3c(Cl)cc([N+](=O)[O-])cc32)C[C@@H]1[NH+](C)C ZINC001327662489 1047987372 /nfs/dbraw/zinc/98/73/72/1047987372.db2.gz ZDMUIOHNGUAVST-QWHCGFSZSA-N 1 0 367.862 2.673 20 5 FFBDRO COC[C@@](C)(CO)[NH2+]Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001330319228 1049131206 /nfs/dbraw/zinc/13/12/06/1049131206.db2.gz PQUNPUZBBXZIDO-MRXNPFEDSA-N 1 0 354.790 2.995 20 5 FFBDRO Nc1cc([N+](=O)[O-])ccc1C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC001292481215 1049350850 /nfs/dbraw/zinc/35/08/50/1049350850.db2.gz LXKKRFZLFIPBLU-UHFFFAOYSA-N 1 0 360.458 2.952 20 5 FFBDRO C[NH2+]CCOc1cccc(C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC001330866720 1049368643 /nfs/dbraw/zinc/36/86/43/1049368643.db2.gz JYJSVVATHODJRB-UHFFFAOYSA-N 1 0 357.410 2.858 20 5 FFBDRO [NH3+]CCN(CC(F)(F)F)C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC001330904956 1049384847 /nfs/dbraw/zinc/38/48/47/1049384847.db2.gz UIIDHGKHWSQDBV-UHFFFAOYSA-N 1 0 371.768 2.690 20 5 FFBDRO CC(C)[C@@H](C(=O)NCc1ccc(Br)cc1[N+](=O)[O-])[C@H](C)[NH3+] ZINC001330961487 1049412895 /nfs/dbraw/zinc/41/28/95/1049412895.db2.gz RVQRXWQLSLGHMP-TVQRCGJNSA-N 1 0 358.236 2.593 20 5 FFBDRO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC001341541855 1050171135 /nfs/dbraw/zinc/17/11/35/1050171135.db2.gz YESRGDIDQFENIR-DOMZBBRYSA-N 1 0 351.834 2.781 20 5 FFBDRO COc1ccc(CC(=O)N2CC[N@H+](C)C3(CCCCC3)C2)cc1[N+](=O)[O-] ZINC001298169333 1050390649 /nfs/dbraw/zinc/39/06/49/1050390649.db2.gz CEXCRXBXNQYONB-UHFFFAOYSA-N 1 0 361.442 2.623 20 5 FFBDRO C[N@H+](CCCCNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N)C1CC1 ZINC001299058362 1050582591 /nfs/dbraw/zinc/58/25/91/1050582591.db2.gz NGHHCCSMRFXWPS-UHFFFAOYSA-N 1 0 358.801 2.574 20 5 FFBDRO CCn1c(-c2c[nH]c([N+](=O)[O-])c2)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001340187144 1050593142 /nfs/dbraw/zinc/59/31/42/1050593142.db2.gz IDRBMEQTUYJEBF-UHFFFAOYSA-N 1 0 361.450 2.512 20 5 FFBDRO CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1Br)C1CC[NH2+]CC1 ZINC001342186914 1050777793 /nfs/dbraw/zinc/77/77/93/1050777793.db2.gz DOOFHNORESYANC-UHFFFAOYSA-N 1 0 370.247 2.500 20 5 FFBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)N3CC4(C3)CCCC4)c2)CC1 ZINC001342309412 1050905095 /nfs/dbraw/zinc/90/50/95/1050905095.db2.gz NDACTXYDMLOWBR-UHFFFAOYSA-N 1 0 373.457 2.755 20 5 FFBDRO C[NH+](C)[C@H]1C[C@@H](NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C12CCC2 ZINC001301546126 1050918063 /nfs/dbraw/zinc/91/80/63/1050918063.db2.gz JHWUJMWBXHYEFR-KGLIPLIRSA-N 1 0 369.368 2.799 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@@H](O)CC[C@@H](O)c1ccccc1)CC2 ZINC001340616651 1050997886 /nfs/dbraw/zinc/99/78/86/1050997886.db2.gz SEXMGEFSDAYFEO-VQTJNVASSA-N 1 0 356.422 2.828 20 5 FFBDRO C[NH2+]C[C@@H]1CCCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC001341065441 1051406679 /nfs/dbraw/zinc/40/66/79/1051406679.db2.gz ZEAJYLZFOMYFMW-ZDUSSCGKSA-N 1 0 370.247 2.500 20 5 FFBDRO C[C@]([NH3+])(C(=O)NC[C@@H]1C[C@@H]1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC001342880559 1051490377 /nfs/dbraw/zinc/49/03/77/1051490377.db2.gz JZPNDUNVWONXOX-TWOQFEAHSA-N 1 0 353.422 2.764 20 5 FFBDRO Cc1cc(N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)c([N+](=O)[O-])cc1C(F)(F)F ZINC001307227611 1052272236 /nfs/dbraw/zinc/27/22/36/1052272236.db2.gz IVTJVYWUTSJWBV-ZIAGYGMSSA-N 1 0 373.375 2.957 20 5 FFBDRO Cc1c(Br)c(N[C@@H]2CC[C@@H]3C[N@@H+](C)C[C@H]23)ncc1[N+](=O)[O-] ZINC001307233922 1052273897 /nfs/dbraw/zinc/27/38/97/1052273897.db2.gz JYEJXKOQCVHRQU-OUAUKWLOSA-N 1 0 355.236 2.813 20 5 FFBDRO CCOC(=O)CC[N@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)C(C)C ZINC001307880989 1052361437 /nfs/dbraw/zinc/36/14/37/1052361437.db2.gz UASHQSSCELDKLY-UHFFFAOYSA-N 1 0 365.430 2.895 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H](n2ccnn2)CC1 ZINC001307965640 1052372291 /nfs/dbraw/zinc/37/22/91/1052372291.db2.gz JOJZACKBPWNZTD-OAHLLOKOSA-N 1 0 372.429 2.551 20 5 FFBDRO COc1ccc(OCC[N@@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2)c([N+](=O)[O-])c1 ZINC001308034039 1052388252 /nfs/dbraw/zinc/38/82/52/1052388252.db2.gz FPFHATQGSOOYTO-IRXDYDNUSA-N 1 0 369.421 2.945 20 5 FFBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2C[C@H]3COC[C@@]3(c3ccccc3)C2)cc1 ZINC001308066635 1052397949 /nfs/dbraw/zinc/39/79/49/1052397949.db2.gz SPESHFGCCFWGKF-FXAWDEMLSA-N 1 0 354.406 2.874 20 5 FFBDRO O=[N+]([O-])c1cccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)c1 ZINC001308283581 1052441350 /nfs/dbraw/zinc/44/13/50/1052441350.db2.gz ZIFKFDVGXSQFAR-QUCCMNQESA-N 1 0 355.438 2.567 20 5 FFBDRO COc1ccc(C[NH2+][C@@H]2COc3c(F)cc(F)cc3C2)cc1[N+](=O)[O-] ZINC001308548863 1052467440 /nfs/dbraw/zinc/46/74/40/1052467440.db2.gz KXGZDMHQMHWCOE-ZDUSSCGKSA-N 1 0 350.321 2.975 20 5 FFBDRO O=C(N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC001345560414 1052511041 /nfs/dbraw/zinc/51/10/41/1052511041.db2.gz NZGDJXHWZOTQRH-QFBILLFUSA-N 1 0 353.378 2.581 20 5 FFBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])[C@H]1OC ZINC001308918541 1052519015 /nfs/dbraw/zinc/51/90/15/1052519015.db2.gz LTQJWDMRPGVLCF-IACUBPJLSA-N 1 0 359.220 2.639 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NCC(C)(C)[NH+]2CCCCC2)c1 ZINC001309030576 1052542748 /nfs/dbraw/zinc/54/27/48/1052542748.db2.gz SDJAKHWNUCQKMD-UHFFFAOYSA-N 1 0 369.487 2.754 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)NCCc3ccc([N+](=O)[O-])cc3)C[C@H]2C1 ZINC001334918225 1053150418 /nfs/dbraw/zinc/15/04/18/1053150418.db2.gz PCEPDBXKDUCTJD-LZLYRXPVSA-N 1 0 360.458 2.509 20 5 FFBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)c1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC001334973288 1053172640 /nfs/dbraw/zinc/17/26/40/1053172640.db2.gz MZJYUKFEIGCVHU-ZDUSSCGKSA-N 1 0 358.442 2.613 20 5 FFBDRO C[C@H](C[C@@H](C)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)NC(=O)OC(C)(C)C ZINC001335339783 1053304470 /nfs/dbraw/zinc/30/44/70/1053304470.db2.gz WFICJGMJUALESS-IOASZLSFSA-N 1 0 367.446 2.910 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])c4cccnc34)C[C@H]2C1 ZINC001335653284 1053490111 /nfs/dbraw/zinc/49/01/11/1053490111.db2.gz RKJGNPJQKAREKX-RRFJBIMHSA-N 1 0 368.437 2.945 20 5 FFBDRO C[C@H](CNC(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1)c1ccccc1[N+](=O)[O-] ZINC001335681542 1053501755 /nfs/dbraw/zinc/50/17/55/1053501755.db2.gz UVKUGBJCFQIQDU-PMPSAXMXSA-N 1 0 360.458 2.729 20 5 FFBDRO Cc1c(CNC(=O)N2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC001336809347 1054246665 /nfs/dbraw/zinc/24/66/65/1054246665.db2.gz ZNUIZWQQXLXTTO-BBWFWOEESA-N 1 0 360.458 2.775 20 5 FFBDRO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)N(Cc3ccccc3[N+](=O)[O-])C3CC3)[C@@H]2C1 ZINC001348312209 1054624972 /nfs/dbraw/zinc/62/49/72/1054624972.db2.gz VBRUWTNTGMZREC-XKQJLSEDSA-N 1 0 358.442 2.609 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)c2ncnc(N3CC[NH+](CCCF)CC3)c2c1 ZINC001348110651 1054660665 /nfs/dbraw/zinc/66/06/65/1054660665.db2.gz KPCYLKPOUYDOQF-UHFFFAOYSA-N 1 0 353.785 2.673 20 5 FFBDRO CN1CC[C@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(F)cc1 ZINC001348950093 1055014170 /nfs/dbraw/zinc/01/41/70/1055014170.db2.gz BETUMQMXYFPRRB-IPMKNSEASA-N 1 0 359.401 2.802 20 5 FFBDRO O=C(NC1CCN(c2cc[nH+]cc2)CC1)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001337865985 1055069756 /nfs/dbraw/zinc/06/97/56/1055069756.db2.gz KGRMCTWWNJPJGZ-OALUTQOASA-N 1 0 366.421 2.879 20 5 FFBDRO CCn1c([C@@H](C)[N+](=O)[O-])nnc1N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001356351155 1055467809 /nfs/dbraw/zinc/46/78/09/1055467809.db2.gz IOHXSDSUZVOODC-WBVHZDCISA-N 1 0 372.473 2.594 20 5 FFBDRO CCn1c([C@H](C)[N+](=O)[O-])nnc1N1CC[N@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC001356351815 1055468351 /nfs/dbraw/zinc/46/83/51/1055468351.db2.gz NFAVJXSMPDLNMD-CVEARBPZSA-N 1 0 372.473 2.594 20 5 FFBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NC[C@H]1CCC[NH2+]CC1 ZINC001356462332 1055515834 /nfs/dbraw/zinc/51/58/34/1055515834.db2.gz AYZYXGSFWWBGMB-LBPRGKRZSA-N 1 0 355.822 2.523 20 5 FFBDRO CCCC[N@H+](C)CC1CCN(c2nnc(C[N+](=O)[O-])n2CC(C)C)CC1 ZINC001358057045 1056121693 /nfs/dbraw/zinc/12/16/93/1056121693.db2.gz GCACEIKTDKUPGG-UHFFFAOYSA-N 1 0 366.510 2.659 20 5 FFBDRO CC(C)(C(=O)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1)[NH+]1CCCCC1 ZINC001544203343 1071610187 /nfs/dbraw/zinc/61/01/87/1071610187.db2.gz RFLNUDYXBDZIRM-UHFFFAOYSA-N 1 0 374.485 2.504 20 5 FFBDRO C[C@H](Nc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1)[C@H]1CN(C)CCO1 ZINC000619527314 1056555844 /nfs/dbraw/zinc/55/58/44/1056555844.db2.gz HHABEHLAVPCCIL-BLLLJJGKSA-N 1 0 360.389 2.927 20 5 FFBDRO [NH2+]=C(NCCOc1ccc([N+](=O)[O-])cc1)N[C@H]1CCOc2ccccc21 ZINC000849100164 1056761043 /nfs/dbraw/zinc/76/10/43/1056761043.db2.gz ZWOQMVDXMBUBOD-INIZCTEOSA-N 1 0 356.382 2.611 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849483722 1056869382 /nfs/dbraw/zinc/86/93/82/1056869382.db2.gz IVHVJYKGVKESEK-JKSUJKDBSA-N 1 0 371.441 2.619 20 5 FFBDRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001544755867 1071687542 /nfs/dbraw/zinc/68/75/42/1071687542.db2.gz VOAAKSBQMMYEJH-UHFFFAOYSA-N 1 0 360.389 2.520 20 5 FFBDRO C[C@@H]1C[C@H](NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])CC[N@@H+]1C ZINC001545105637 1071733483 /nfs/dbraw/zinc/73/34/83/1071733483.db2.gz MSGPALLXPWJZKR-UKRRQHHQSA-N 1 0 354.410 2.869 20 5 FFBDRO COc1ccc2ncc([N+](=O)[O-])c(NC[C@@H](c3ccco3)[NH+](C)C)c2c1 ZINC001472636681 1058934627 /nfs/dbraw/zinc/93/46/27/1058934627.db2.gz PGKPJPSBWDWUOX-HNNXBMFYSA-N 1 0 356.382 2.881 20 5 FFBDRO COc1cc(C[NH+](C)C)ccc1NC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC001451089783 1059081246 /nfs/dbraw/zinc/08/12/46/1059081246.db2.gz HVXPXHAHJJSVCC-UHFFFAOYSA-N 1 0 362.361 2.639 20 5 FFBDRO C[C@@H](C(=O)OC[C@@H]1CC[N@@H+]1C1CCOCC1)c1ccc([N+](=O)[O-])cc1F ZINC001520069480 1059372702 /nfs/dbraw/zinc/37/27/02/1059372702.db2.gz RAYRNTCJXCILSU-DOMZBBRYSA-N 1 0 366.389 2.634 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C[C@@H]1C ZINC001520129940 1059416647 /nfs/dbraw/zinc/41/66/47/1059416647.db2.gz XEIZKAUHCJOMQZ-QWHCGFSZSA-N 1 0 350.419 2.940 20 5 FFBDRO Cc1cc(C(=O)N[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)ccc1[N+](=O)[O-] ZINC001355560518 1060360317 /nfs/dbraw/zinc/36/03/17/1060360317.db2.gz ZTCPUYMZGVFMHT-OXJNMPFZSA-N 1 0 367.405 2.889 20 5 FFBDRO CC(C)Oc1nc(NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC001458084305 1060508594 /nfs/dbraw/zinc/50/85/94/1060508594.db2.gz DKIQJUYSPTYANN-OKILXGFUSA-N 1 0 352.435 2.688 20 5 FFBDRO O=[N+]([O-])c1ccc(C(F)(F)F)cc1N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC001458165632 1060528866 /nfs/dbraw/zinc/52/88/66/1060528866.db2.gz LRIPEBGONFEIBZ-DZGCQCFKSA-N 1 0 359.348 2.649 20 5 FFBDRO CCCC[N@H+](C)C[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1CC ZINC001475355210 1061059336 /nfs/dbraw/zinc/05/93/36/1061059336.db2.gz CVANXDCKCCNUTG-ZDUSSCGKSA-N 1 0 357.476 2.556 20 5 FFBDRO Cn1cnc2c1ccc1c2CCCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001460944156 1061158914 /nfs/dbraw/zinc/15/89/14/1061158914.db2.gz ZJQZJDCTYCODFY-UHFFFAOYSA-N 1 0 365.393 2.873 20 5 FFBDRO CCOC(=O)N1CCC(C)(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)CC1 ZINC001462192709 1061533005 /nfs/dbraw/zinc/53/30/05/1061533005.db2.gz ZXNPAXORFOAZJV-UHFFFAOYSA-N 1 0 364.446 2.619 20 5 FFBDRO COC(=O)c1[nH]c2ccccc2c1CN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC001462205541 1061536223 /nfs/dbraw/zinc/53/62/23/1061536223.db2.gz HCHNGNPRXCASBA-UHFFFAOYSA-N 1 0 368.393 2.828 20 5 FFBDRO C[C@@H](NC(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-])C1CCC1 ZINC001477130227 1061592999 /nfs/dbraw/zinc/59/29/99/1061592999.db2.gz HVVTVIQKKFJSJO-CYBMUJFWSA-N 1 0 361.446 2.657 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCC1([NH+](C)C)CCCCC1 ZINC001462736551 1061748809 /nfs/dbraw/zinc/74/88/09/1061748809.db2.gz ZJASLMREJYNDOO-UHFFFAOYSA-N 1 0 369.487 2.754 20 5 FFBDRO C[NH2+][C@H](CNC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC001522828308 1062303295 /nfs/dbraw/zinc/30/32/95/1062303295.db2.gz VDJHWUDWEUKEBK-WDSOQIARSA-N 1 0 353.422 2.645 20 5 FFBDRO [NH3+]C[C@@]12CC[C@H]1CCCN2C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC001523407795 1062456118 /nfs/dbraw/zinc/45/61/18/1062456118.db2.gz NFKJSXMBNUPIRE-BEFAXECRSA-N 1 0 358.442 2.539 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC1(C2CC[NH2+]CC2)CC1 ZINC001523493755 1062492551 /nfs/dbraw/zinc/49/25/51/1062492551.db2.gz HFLQJHLNEAFJNR-NSHDSACASA-N 1 0 367.833 2.664 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N2c3ccccc3CC[C@@H]2C[NH+](C)C)n1 ZINC001523575462 1062525499 /nfs/dbraw/zinc/52/54/99/1062525499.db2.gz ZVPMUFXPFCPNTE-OAHLLOKOSA-N 1 0 354.410 2.821 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@H](c2ccco2)N2CCCCC2)n1 ZINC001523663855 1062567458 /nfs/dbraw/zinc/56/74/58/1062567458.db2.gz XJPDDKNELGDKAZ-MRXNPFEDSA-N 1 0 358.398 2.848 20 5 FFBDRO CN(CC[NH2+]Cc1ccc(-c2ccccc2)cc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001493546451 1063176542 /nfs/dbraw/zinc/17/65/42/1063176542.db2.gz XTRBQWIBLAKCGP-RTBURBONSA-N 1 0 353.422 2.567 20 5 FFBDRO CC(C)CN(CC1CC[NH+](C)CC1)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC001533015395 1063231173 /nfs/dbraw/zinc/23/11/73/1063231173.db2.gz WFARUBYJJVKFKE-UHFFFAOYSA-N 1 0 363.458 2.800 20 5 FFBDRO CCC1(CNC(=O)Nc2cc(N3CC[NH+](C)CC3)ccc2[N+](=O)[O-])CC1 ZINC001467372149 1063727360 /nfs/dbraw/zinc/72/73/60/1063727360.db2.gz LMEXRUFGVVWAFT-UHFFFAOYSA-N 1 0 361.446 2.658 20 5 FFBDRO CC[N@H+](C)[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)C1 ZINC001472634522 1065118425 /nfs/dbraw/zinc/11/84/25/1065118425.db2.gz WWGIMBPKUBNWGV-KRWDZBQOSA-N 1 0 374.485 2.997 20 5 FFBDRO CC(C)OC[C@H]([NH3+])C(=O)N(CC1CC1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC001575786847 1078168387 /nfs/dbraw/zinc/16/83/87/1078168387.db2.gz ALBTUKVSBBSIHB-AWEZNQCLSA-N 1 0 355.822 2.744 20 5 FFBDRO COC(=O)c1cnc(N[C@@H]2CC[N@H+](Cc3ccc(C)cc3)C2)c([N+](=O)[O-])c1 ZINC001472859587 1065160636 /nfs/dbraw/zinc/16/06/36/1065160636.db2.gz LJLHYNJIEWHFDU-MRXNPFEDSA-N 1 0 370.409 2.771 20 5 FFBDRO C[N@@H+]1CCCC12CCN(C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1)CC2 ZINC001546197363 1065279516 /nfs/dbraw/zinc/27/95/16/1065279516.db2.gz HTBRLHWDNJQTNM-UHFFFAOYSA-N 1 0 351.834 2.878 20 5 FFBDRO C[C@@H](Cc1cccc(F)c1)N(C)C(=O)[C@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC001576052462 1078190131 /nfs/dbraw/zinc/19/01/31/1078190131.db2.gz JPVCFTDQZMJBBX-ORAYPTAESA-N 1 0 359.401 2.997 20 5 FFBDRO C[C@]([NH3+])(C(=O)NCc1c(F)cccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC001576080673 1078193833 /nfs/dbraw/zinc/19/38/33/1078193833.db2.gz FMFTUHFBJPWXRG-MRXNPFEDSA-N 1 0 351.765 2.878 20 5 FFBDRO COc1cccc([C@@H]2CN(Cc3ccc([N+](=O)[O-])cc3OC)CC[NH2+]2)c1 ZINC001473740024 1065342909 /nfs/dbraw/zinc/34/29/09/1065342909.db2.gz ZPPCEHQBBHMRED-SFHVURJKSA-N 1 0 357.410 2.759 20 5 FFBDRO CCN1CCC[C@H]([NH2+]Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C1=O ZINC001474276134 1065483633 /nfs/dbraw/zinc/48/36/33/1065483633.db2.gz JZBGJOWUFMPHKN-INIZCTEOSA-N 1 0 373.409 2.964 20 5 FFBDRO CC(C)[C@@H]([NH3+])Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](C)C1 ZINC001576739396 1078268628 /nfs/dbraw/zinc/26/86/28/1078268628.db2.gz ZQEGGHRPBCGPEC-CJNGLKHVSA-N 1 0 358.446 2.683 20 5 FFBDRO CC[C@@H]1[C@@H](C)CCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H](C)[NH3+] ZINC001577237416 1078322081 /nfs/dbraw/zinc/32/20/81/1078322081.db2.gz TXKKIEXLEBGRBN-WOSRLPQWSA-N 1 0 358.446 2.825 20 5 FFBDRO COc1ccc(CNC[C@H]2CC[NH2+]2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC001579216490 1078591526 /nfs/dbraw/zinc/59/15/26/1078591526.db2.gz XBWPMPHPCUTWOL-MRXNPFEDSA-N 1 0 357.410 2.634 20 5 FFBDRO C[C@H](NC(=O)Nc1cnn(C2CC[NH2+]CC2)c1)c1ccc([N+](=O)[O-])cc1 ZINC001579484044 1078634763 /nfs/dbraw/zinc/63/47/63/1078634763.db2.gz DGYNQDAXKXRYJN-LBPRGKRZSA-N 1 0 358.402 2.599 20 5 FFBDRO [NH3+][C@H]1C[C@@H](NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])C12CCC2 ZINC001580163200 1078758957 /nfs/dbraw/zinc/75/89/57/1078758957.db2.gz KQPLTNZPDPRKMD-LSDHHAIUSA-N 1 0 352.394 2.657 20 5 FFBDRO [NH3+][C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2Cl)CC[C@@H]1C(F)(F)F ZINC001580208406 1078766281 /nfs/dbraw/zinc/76/62/81/1078766281.db2.gz RDKXVCLBPJUGKK-IUCAKERBSA-N 1 0 351.712 2.600 20 5 FFBDRO [NH3+]C[C@H](C(=O)Nc1nccc2c1cccc2[N+](=O)[O-])c1ccc(F)cc1 ZINC001580215425 1078767004 /nfs/dbraw/zinc/76/70/04/1078767004.db2.gz JPDPFAZENHDRLC-HNNXBMFYSA-N 1 0 354.341 2.963 20 5 FFBDRO [NH3+]C[C@]12CN(c3ncc(Br)cc3[N+](=O)[O-])C[C@H]1CCCC2 ZINC001580256297 1078776486 /nfs/dbraw/zinc/77/64/86/1078776486.db2.gz SWGFZDKSVBFMAD-QMTHXVAHSA-N 1 0 355.236 2.708 20 5 FFBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)[C@H]1C[NH2+]C[C@@H]1c1ccc(Cl)cc1 ZINC001580699236 1078848750 /nfs/dbraw/zinc/84/87/50/1078848750.db2.gz HSBZLBCJEOZVRE-MSOLQXFVSA-N 1 0 373.840 2.910 20 5 FFBDRO O=C(Nc1ccc(F)c([N+](=O)[O-])c1)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001580767168 1078856144 /nfs/dbraw/zinc/85/61/44/1078856144.db2.gz URQNKKVQRYIGJO-STQMWFEESA-N 1 0 350.394 2.977 20 5 FFBDRO O=[N+]([O-])c1ncccc1CN1Cc2ccccc2OC2(CC[NH2+]CC2)C1 ZINC001580876882 1078882256 /nfs/dbraw/zinc/88/22/56/1078882256.db2.gz YGZMUCNTGIPAGG-UHFFFAOYSA-N 1 0 354.410 2.507 20 5 FFBDRO CC[NH+](CC)CCOCCNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC001556128817 1075705451 /nfs/dbraw/zinc/70/54/51/1075705451.db2.gz KPNVFFGCFKYCJF-UHFFFAOYSA-N 1 0 365.474 2.981 20 5 FFBDRO O=[N+]([O-])c1cc(Br)ccc1N1CC[NH+](CCCCCO)CC1 ZINC001559249073 1076139803 /nfs/dbraw/zinc/13/98/03/1076139803.db2.gz WYPRBDMFBCFIDQ-UHFFFAOYSA-N 1 0 372.263 2.642 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NC[C@@H]1C[NH+]2CCC1CC2 ZINC001559301228 1076148241 /nfs/dbraw/zinc/14/82/41/1076148241.db2.gz QKYXVDSCAYBSEC-LLVKDONJSA-N 1 0 353.806 2.789 20 5 FFBDRO CC(C)(C)OC(=O)NC[C@@](C)([NH2+]Cc1cccnc1[N+](=O)[O-])C1CC1 ZINC001559626972 1076178190 /nfs/dbraw/zinc/17/81/90/1076178190.db2.gz ZQKXODUHHKMOLY-QGZVFWFLSA-N 1 0 350.419 2.773 20 5 FFBDRO C[C@@H]([NH2+]C[C@](C)(O)CNC(=O)OC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC001560131743 1076232929 /nfs/dbraw/zinc/23/29/29/1076232929.db2.gz JIHYLCQJYGDRHJ-PXAZEXFGSA-N 1 0 353.419 2.521 20 5 FFBDRO CC(C)OC(=O)C1CC[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC001560154491 1076237837 /nfs/dbraw/zinc/23/78/37/1076237837.db2.gz LGZHSSDHEQDLNZ-UHFFFAOYSA-N 1 0 363.414 2.587 20 5 FFBDRO CCNC(=O)OC[C@@H]1CCCCN1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC001560827729 1076302525 /nfs/dbraw/zinc/30/25/25/1076302525.db2.gz XMGGHFMLGZMJTK-ZDUSSCGKSA-N 1 0 362.386 2.837 20 5 FFBDRO Cc1cccc(CCC[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCCC2)c1 ZINC001568234872 1077079748 /nfs/dbraw/zinc/07/97/48/1077079748.db2.gz HAXGWYWHLPVNAR-QZTJIDSGSA-N 1 0 359.470 2.611 20 5 FFBDRO CN(CC[N@H+](C)Cc1cc(Cl)cc(Cl)c1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001568480352 1077096070 /nfs/dbraw/zinc/09/60/70/1077096070.db2.gz CUYXHBRARLQDIT-ZIAGYGMSSA-N 1 0 360.241 2.549 20 5 FFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N(CC[NH2+]CC1=CCCCC1)Cc1ccccc1 ZINC001569868622 1077169517 /nfs/dbraw/zinc/16/95/17/1077169517.db2.gz CCJFIWPILSWZBI-RTBURBONSA-N 1 0 357.454 2.770 20 5 FFBDRO CC[C@H](C[NH2+]CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1)C(=O)[O-] ZINC001573805426 1077802596 /nfs/dbraw/zinc/80/25/96/1077802596.db2.gz OGQDFTYNOVQQIG-QGZVFWFLSA-N 1 0 363.458 2.550 20 5 FFBDRO O=C(N[C@@H]1CCn2cncc21)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001585868302 1079507607 /nfs/dbraw/zinc/50/76/07/1079507607.db2.gz HKNVQJFKRLFADW-GFCCVEGCSA-N 1 0 355.379 2.790 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1[C@H](C)C[N@H+](C)[C@@H](C)[C@@H]1C ZINC001586370760 1079613643 /nfs/dbraw/zinc/61/36/43/1079613643.db2.gz LHTHYIIXTJIVCQ-VOAKCMCISA-N 1 0 369.849 2.955 20 5 FFBDRO CC(C)([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)c1cccc(-c2nn[nH]n2)c1 ZINC001589321686 1080482315 /nfs/dbraw/zinc/48/23/15/1080482315.db2.gz KOQMHMKZRCJQRK-UHFFFAOYSA-N 1 0 356.361 2.939 20 5 FFBDRO CC(C)CC[NH+]1CCC(CNc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC001589602108 1080631177 /nfs/dbraw/zinc/63/11/77/1080631177.db2.gz PCUIHKSIVCUHQA-UHFFFAOYSA-N 1 0 373.461 2.945 20 5 FFBDRO C[C@@]1(c2ccccc2)CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC001590152956 1081053959 /nfs/dbraw/zinc/05/39/59/1081053959.db2.gz IFLDRTUVQVSYTG-LJQANCHMSA-N 1 0 364.409 2.939 20 5 FFBDRO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001590164680 1081063235 /nfs/dbraw/zinc/06/32/35/1081063235.db2.gz GSTNLWMTUYNFGI-LDYMZIIASA-N 1 0 356.308 2.548 20 5 FFBDRO C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001590166168 1081065277 /nfs/dbraw/zinc/06/52/77/1081065277.db2.gz VTLCRCUSEVJLBZ-GZMMTYOYSA-N 1 0 356.308 2.548 20 5 FFBDRO C[C@H]1CCC[C@@](CNc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])([NH+](C)C)C1 ZINC001590241031 1081115764 /nfs/dbraw/zinc/11/57/64/1081115764.db2.gz FZLDSDDZHQFOTF-YVEFUNNKSA-N 1 0 359.434 2.697 20 5 FFBDRO C[C@@H]1CCC[N@H+](CCCCNc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC001590261443 1081128848 /nfs/dbraw/zinc/12/88/48/1081128848.db2.gz WJDZZEBGVHIERW-CYBMUJFWSA-N 1 0 359.434 2.699 20 5 FFBDRO CC[NH+](CC)C[C@H]1CCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000072823509 249781936 /nfs/dbraw/zinc/78/19/36/249781936.db2.gz GCDAGGDBVLJGOO-CYBMUJFWSA-N 1 0 368.865 2.850 20 5 FFBDRO Cn1ccnc1[C@H](O)C1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000093454486 250037430 /nfs/dbraw/zinc/03/74/30/250037430.db2.gz WQWIPTIOWMGRPE-MJICGBHWSA-N 1 0 356.426 2.787 20 5 FFBDRO C[C@H]1C[C@@H]([N@H+](C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCN1C ZINC000093643728 250038142 /nfs/dbraw/zinc/03/81/42/250038142.db2.gz HMVXHNNZSXELAV-KSSFIOAISA-N 1 0 357.458 2.910 20 5 FFBDRO Cc1nn(C)c(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)c1[N+](=O)[O-] ZINC000098098495 250071700 /nfs/dbraw/zinc/07/17/00/250071700.db2.gz DCZGGCCKJDBHBI-UHFFFAOYSA-N 1 0 363.462 2.555 20 5 FFBDRO Cc1nccn1C[C@@H](C)C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000105442855 250213848 /nfs/dbraw/zinc/21/38/48/250213848.db2.gz XUEJZXRMVCCASL-AWEZNQCLSA-N 1 0 368.441 2.926 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCC[C@H](n4cncn4)C3)o2)c1 ZINC000106217943 250259261 /nfs/dbraw/zinc/25/92/61/250259261.db2.gz CRUOJNRLMIVQCQ-INIZCTEOSA-N 1 0 368.397 2.721 20 5 FFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000117794048 250361710 /nfs/dbraw/zinc/36/17/10/250361710.db2.gz DOFIQFWGZJCEDW-CYBMUJFWSA-N 1 0 351.834 2.924 20 5 FFBDRO CN(CC[N@H+](C)C1CC1)C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000186786024 251263537 /nfs/dbraw/zinc/26/35/37/251263537.db2.gz OHNGREOZCCOSNW-UHFFFAOYSA-N 1 0 360.458 2.751 20 5 FFBDRO Cc1ccc2[nH]c([C@H]3CCC[N@H+](CCn4ccc([N+](=O)[O-])n4)C3)nc2c1 ZINC000181141531 251246519 /nfs/dbraw/zinc/24/65/19/251246519.db2.gz FMVNTBMCBXHKBM-AWEZNQCLSA-N 1 0 354.414 2.856 20 5 FFBDRO C[C@@H]1C[NH+](CCC2CCN(c3ncc([N+](=O)[O-])s3)CC2)C[C@@H](C)O1 ZINC000192479775 251277370 /nfs/dbraw/zinc/27/73/70/251277370.db2.gz QYTQWASVUHOEIH-CHWSQXEVSA-N 1 0 354.476 2.767 20 5 FFBDRO C[NH+]1CCC(CCNC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000268068328 251367420 /nfs/dbraw/zinc/36/74/20/251367420.db2.gz CXGKVPAREORCIB-UHFFFAOYSA-N 1 0 354.838 2.779 20 5 FFBDRO CCC[C@@](C)(O)C[NH2+]Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000272393661 252027521 /nfs/dbraw/zinc/02/75/21/252027521.db2.gz JGSPILNHPUFYKJ-MRXNPFEDSA-N 1 0 362.373 2.888 20 5 FFBDRO Cn1ccnc1[C@@H](NCCC1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000272470371 252046128 /nfs/dbraw/zinc/04/61/28/252046128.db2.gz AEZATNVNKGTGLS-SFHVURJKSA-N 1 0 357.458 2.739 20 5 FFBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000272604399 252079332 /nfs/dbraw/zinc/07/93/32/252079332.db2.gz YYBYDVUWTAOWQY-IINYFYTJSA-N 1 0 368.231 2.524 20 5 FFBDRO C[C@@H](NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)C1=CC[N@H+](C)CC1 ZINC000272987580 252183664 /nfs/dbraw/zinc/18/36/64/252183664.db2.gz PPVJVFYEJINCGH-CQSZACIVSA-N 1 0 358.442 2.919 20 5 FFBDRO C[C@@]1([NH2+]CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CCO[C@@H]1C1CC1 ZINC000273049000 252200397 /nfs/dbraw/zinc/20/03/97/252200397.db2.gz JYRZWDNLGPGCPA-HZPDHXFCSA-N 1 0 353.806 2.734 20 5 FFBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])[C@H]2C1 ZINC000273308093 252278170 /nfs/dbraw/zinc/27/81/70/252278170.db2.gz XIEJWRYFRJJEJG-FZMZJTMJSA-N 1 0 369.874 2.893 20 5 FFBDRO Cc1cc(F)ccc1C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000273486939 252314607 /nfs/dbraw/zinc/31/46/07/252314607.db2.gz MNPRDVIXOZEZDL-UHFFFAOYSA-N 1 0 352.387 2.606 20 5 FFBDRO C[NH+](C)CCN(Cc1ccco1)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000273499617 252318294 /nfs/dbraw/zinc/31/82/94/252318294.db2.gz UYHVUQMBYVVUCE-UHFFFAOYSA-N 1 0 350.350 2.923 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)NCC2([NH+](C)C)CCC2)cc1SC ZINC000275845525 256053593 /nfs/dbraw/zinc/05/35/93/256053593.db2.gz HIBMNJSOCATMCO-UHFFFAOYSA-N 1 0 353.444 2.539 20 5 FFBDRO O=[N+]([O-])c1cc2ccccc2nc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC000276722001 256124205 /nfs/dbraw/zinc/12/42/05/256124205.db2.gz ZNURWZANYKABQP-UHFFFAOYSA-N 1 0 356.426 2.692 20 5 FFBDRO CCOc1cc(C[N@@H+]2CCC[C@H](CNC(=O)C(C)C)C2)ccc1[N+](=O)[O-] ZINC000276934723 256144351 /nfs/dbraw/zinc/14/43/51/256144351.db2.gz RLVPMXKRKYNSSX-MRXNPFEDSA-N 1 0 363.458 2.978 20 5 FFBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N[C@H]2CC[NH2+]C[C@H]2C)CC1 ZINC000277335600 256186466 /nfs/dbraw/zinc/18/64/66/256186466.db2.gz ATAFIRUTCKWFRU-PBHICJAKSA-N 1 0 360.458 2.559 20 5 FFBDRO O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000277630228 256219597 /nfs/dbraw/zinc/21/95/97/256219597.db2.gz XDMNMJALOOTBMM-CQSZACIVSA-N 1 0 370.409 2.595 20 5 FFBDRO COC(=O)c1cnc(N2CCC(Oc3ccncc3C)CC2)c([N+](=O)[O-])c1 ZINC000278447623 256313951 /nfs/dbraw/zinc/31/39/51/256313951.db2.gz LEBKNZOUTCRBAB-UHFFFAOYSA-N 1 0 372.381 2.528 20 5 FFBDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000279215375 256394524 /nfs/dbraw/zinc/39/45/24/256394524.db2.gz OLXHLXXYTSGEGX-GFCCVEGCSA-N 1 0 367.833 2.574 20 5 FFBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000285813457 257006145 /nfs/dbraw/zinc/00/61/45/257006145.db2.gz NJAVOBNTRHZPSU-CZUORRHYSA-N 1 0 358.442 2.868 20 5 FFBDRO C[N@@H+]1CC[C@@H]2OCCN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)[C@@H]2C1 ZINC000284550292 256935828 /nfs/dbraw/zinc/93/58/28/256935828.db2.gz HHLDLYHSLCXYIK-MJGOQNOKSA-N 1 0 357.410 2.760 20 5 FFBDRO O=c1[nH]c(NCCN2CCc3sccc3C2)nc2ccc([N+](=O)[O-])cc12 ZINC000286477990 257039059 /nfs/dbraw/zinc/03/90/59/257039059.db2.gz UHRZNHQMUAZRMX-UHFFFAOYSA-N 1 0 371.422 2.775 20 5 FFBDRO O=[N+]([O-])c1ccc2oc(CN3CC[C@H](C(F)(F)F)[C@@H](CO)C3)nc2c1 ZINC000286609212 257045474 /nfs/dbraw/zinc/04/54/74/257045474.db2.gz RMFWOAHTZISPCF-KOLCDFICSA-N 1 0 359.304 2.729 20 5 FFBDRO Cc1c(NC(=O)CCN2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000286805534 257056129 /nfs/dbraw/zinc/05/61/29/257056129.db2.gz JETFVDTWKYMSHJ-MAUKXSAKSA-N 1 0 360.458 2.790 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2C)[C@H](C)C1 ZINC000289875175 257304141 /nfs/dbraw/zinc/30/41/41/257304141.db2.gz NYSWEUUKDGENEO-CZUORRHYSA-N 1 0 358.446 2.557 20 5 FFBDRO CS[C@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C[C@H]1[NH+](C)C ZINC000289524481 257285792 /nfs/dbraw/zinc/28/57/92/257285792.db2.gz CNSHQFBXFIOYEU-NEPJUHHUSA-N 1 0 358.851 2.758 20 5 FFBDRO CC[NH+](CC)[C@H](CNc1nccc(C(N)=O)c1[N+](=O)[O-])c1ccsc1 ZINC000290581377 257343608 /nfs/dbraw/zinc/34/36/08/257343608.db2.gz VXPOQTOWCZONQL-CYBMUJFWSA-N 1 0 363.443 2.645 20 5 FFBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])c1 ZINC000290970127 257368854 /nfs/dbraw/zinc/36/88/54/257368854.db2.gz XGNZRXHFPGTUQB-UHFFFAOYSA-N 1 0 360.157 2.796 20 5 FFBDRO Cc1nc(Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)ncc1[N+](=O)[O-] ZINC000295100574 257616226 /nfs/dbraw/zinc/61/62/26/257616226.db2.gz UBGQHLQWHRLIIQ-UHFFFAOYSA-N 1 0 356.430 2.967 20 5 FFBDRO O=C(CC[NH+]1CCC2(CCC(O)CC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000295700315 257643615 /nfs/dbraw/zinc/64/36/15/257643615.db2.gz MKLSUAHWOQHRBF-UHFFFAOYSA-N 1 0 361.442 2.941 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](c3ccc(F)cc3)[C@H]([NH3+])C2)c1 ZINC000296878798 257762272 /nfs/dbraw/zinc/76/22/72/257762272.db2.gz FJVLZMUENSCMOQ-NVXWUHKLSA-N 1 0 357.385 2.999 20 5 FFBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NCCC[N@@H+]1CCc2ccccc2C1 ZINC000301096836 258024492 /nfs/dbraw/zinc/02/44/92/258024492.db2.gz JMAACDUAJYSIJN-UHFFFAOYSA-N 1 0 368.437 2.815 20 5 FFBDRO Cn1ccnc1C(=O)c1ccc(N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c([N+](=O)[O-])c1 ZINC000301231496 258035818 /nfs/dbraw/zinc/03/58/18/258035818.db2.gz FRJWWFZECXLSDQ-CVEARBPZSA-N 1 0 369.425 2.598 20 5 FFBDRO C[N@@H+]1CCC[C@H](N2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)C1 ZINC000301303707 258041580 /nfs/dbraw/zinc/04/15/80/258041580.db2.gz SQMASNPNQUIOJF-AWEZNQCLSA-N 1 0 372.391 2.830 20 5 FFBDRO C[C@H]1CN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC[N@@H+]1CC(C)(C)O ZINC000302465499 258102755 /nfs/dbraw/zinc/10/27/55/258102755.db2.gz BFNGXQMKZFVKFR-NSHDSACASA-N 1 0 361.364 2.895 20 5 FFBDRO Cc1cccc(N(C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000302506970 258104007 /nfs/dbraw/zinc/10/40/07/258104007.db2.gz QTWFQQWNJUXLAJ-HXUWFJFHSA-N 1 0 355.438 2.976 20 5 FFBDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000302499699 258104298 /nfs/dbraw/zinc/10/42/98/258104298.db2.gz CINNGLDQXSJLCZ-NSHDSACASA-N 1 0 361.364 2.895 20 5 FFBDRO C[C@H]1CCC[C@@](CNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)([NH+](C)C)C1 ZINC000302632116 258107200 /nfs/dbraw/zinc/10/72/00/258107200.db2.gz JLKSGGMQSTYZBH-SUMWQHHRSA-N 1 0 369.487 2.921 20 5 FFBDRO C[NH+](C)[C@@H](CNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2)c1ccc(F)cc1 ZINC000301614188 258058386 /nfs/dbraw/zinc/05/83/86/258058386.db2.gz HWCPBWZLXDJAER-INIZCTEOSA-N 1 0 374.372 2.780 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(N2CC[C@@H](OCC[NH+]3CCCCC3)C2)c(F)c1 ZINC000301838840 258070219 /nfs/dbraw/zinc/07/02/19/258070219.db2.gz ZGAIQCAXAPDPFV-CQSZACIVSA-N 1 0 355.385 2.954 20 5 FFBDRO C[C@H](CN1CC[NH+](C)CC1)Nc1ccc([N+](=O)[O-])c(OC(C)(C)C)c1 ZINC000301893756 258073429 /nfs/dbraw/zinc/07/34/29/258073429.db2.gz SPCYGKDFMSYWKV-CQSZACIVSA-N 1 0 350.463 2.820 20 5 FFBDRO CN(c1ccc2ncc([N+](=O)[O-])n2n1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000301965579 258078963 /nfs/dbraw/zinc/07/89/63/258078963.db2.gz KDAPNYZNHHYGRA-MRXNPFEDSA-N 1 0 366.425 2.738 20 5 FFBDRO Cc1c(NC(=O)CC[N@@H+]2CC[C@@H](C(C)(C)C)[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000330703346 258168618 /nfs/dbraw/zinc/16/86/18/258168618.db2.gz JBJJVTWLFBESQT-PBHICJAKSA-N 1 0 363.458 2.961 20 5 FFBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000331930575 258206552 /nfs/dbraw/zinc/20/65/52/258206552.db2.gz KZDVWPXYGOEIEW-BDJLRTHQSA-N 1 0 353.369 2.501 20 5 FFBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000331930582 258206600 /nfs/dbraw/zinc/20/66/00/258206600.db2.gz KZDVWPXYGOEIEW-ZBEGNZNMSA-N 1 0 353.369 2.501 20 5 FFBDRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCOc1cc(C)ccc1[N+](=O)[O-] ZINC000332088243 258213384 /nfs/dbraw/zinc/21/33/84/258213384.db2.gz JWPLJCBOSSBOOI-HOTGVXAUSA-N 1 0 361.442 2.757 20 5 FFBDRO CCOc1cc(C(=O)N2CCC[C@@H]([NH+](C)C)CC2)c([N+](=O)[O-])cc1OC ZINC000332214678 258219214 /nfs/dbraw/zinc/21/92/14/258219214.db2.gz HZYHOJOZWJYHGV-CYBMUJFWSA-N 1 0 365.430 2.558 20 5 FFBDRO C[C@@H]1C[C@@H](C)N(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000397307540 512945132 /nfs/dbraw/zinc/94/51/32/512945132.db2.gz INURYQPRJWIBTK-CKYFFXLPSA-N 1 0 370.247 2.803 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000064965230 506245944 /nfs/dbraw/zinc/24/59/44/506245944.db2.gz LCHNKMISOBNGTJ-ZDUSSCGKSA-N 1 0 369.487 2.692 20 5 FFBDRO O=C(c1cccc2c(=O)c3ccccc3[nH]c12)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000373096630 512170529 /nfs/dbraw/zinc/17/05/29/512170529.db2.gz YIQZLWYQQRJCAT-HNNXBMFYSA-N 1 0 361.445 2.992 20 5 FFBDRO CC[C@H]([NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)[C@@H](O)C(F)F ZINC000602679917 521477766 /nfs/dbraw/zinc/47/77/66/521477766.db2.gz SURQNLPUUMPOAT-JGVFFNPUSA-N 1 0 359.192 2.913 20 5 FFBDRO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000369067506 512211699 /nfs/dbraw/zinc/21/16/99/512211699.db2.gz USRJVVZUWMHKQS-AWEZNQCLSA-N 1 0 369.425 2.527 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)Cc1scnc1C ZINC000066563567 506553812 /nfs/dbraw/zinc/55/38/12/506553812.db2.gz XHKMLTSETAIFRT-UHFFFAOYSA-N 1 0 364.427 2.829 20 5 FFBDRO O=C(NCC1CC1)[C@@H]1CCC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000055903750 506882177 /nfs/dbraw/zinc/88/21/77/506882177.db2.gz DMPYZMVPPBQXIY-MRXNPFEDSA-N 1 0 361.442 2.602 20 5 FFBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000055936279 506892165 /nfs/dbraw/zinc/89/21/65/506892165.db2.gz GRVOJZABXPFDPM-HNNXBMFYSA-N 1 0 362.474 2.976 20 5 FFBDRO CC[NH+]1CCC(CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 ZINC000067682986 506974927 /nfs/dbraw/zinc/97/49/27/506974927.db2.gz MMAFFFOBLONDAB-UHFFFAOYSA-N 1 0 360.458 2.657 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000045557183 506983049 /nfs/dbraw/zinc/98/30/49/506983049.db2.gz SOYRSESGCBYMRD-HNNXBMFYSA-N 1 0 355.394 2.608 20 5 FFBDRO C[NH+]1CCC(N(Cc2ccco2)C(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000067722253 506989145 /nfs/dbraw/zinc/98/91/45/506989145.db2.gz JPWWXTNFMKLUCV-UHFFFAOYSA-N 1 0 372.425 2.994 20 5 FFBDRO CC1CC[NH+](CCCCNC(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000067796973 507013099 /nfs/dbraw/zinc/01/30/99/507013099.db2.gz MDCOOMMLROIGHT-UHFFFAOYSA-N 1 0 363.458 2.992 20 5 FFBDRO COc1cc(C[N@@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)c([N+](=O)[O-])cc1OC ZINC000375414792 512313840 /nfs/dbraw/zinc/31/38/40/512313840.db2.gz NGOYYIWWHSSORA-GFCCVEGCSA-N 1 0 374.397 2.862 20 5 FFBDRO COc1ccc(CC(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000067911299 507050648 /nfs/dbraw/zinc/05/06/48/507050648.db2.gz SXOBXCXVFMKYLA-CQSZACIVSA-N 1 0 363.458 2.773 20 5 FFBDRO COc1ccc(CC(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000067911404 507050811 /nfs/dbraw/zinc/05/08/11/507050811.db2.gz LITIUQKIWQQVPY-RBSFLKMASA-N 1 0 363.458 2.629 20 5 FFBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000068226836 507154953 /nfs/dbraw/zinc/15/49/53/507154953.db2.gz XFZSNUSJUBUSDO-LSDHHAIUSA-N 1 0 358.442 2.786 20 5 FFBDRO CC[NH+](CC)[C@H](C)CNC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000068352888 507198030 /nfs/dbraw/zinc/19/80/30/507198030.db2.gz UQLAQCBCHXVTJV-VXGBXAGGSA-N 1 0 357.838 2.862 20 5 FFBDRO COc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])o2)[NH+]2CCCC2)cc1 ZINC000046868453 507213862 /nfs/dbraw/zinc/21/38/62/507213862.db2.gz DYEUNFROHADRNG-OAHLLOKOSA-N 1 0 359.382 2.763 20 5 FFBDRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000047226953 507287410 /nfs/dbraw/zinc/28/74/10/507287410.db2.gz OLMPWWDAEBKMAH-DLBZAZTESA-N 1 0 372.469 2.554 20 5 FFBDRO CC[NH+](CC)CC1CCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000057847156 507341933 /nfs/dbraw/zinc/34/19/33/507341933.db2.gz OAYNIFFAOZVGCW-OAHLLOKOSA-N 1 0 362.474 2.976 20 5 FFBDRO O=C(COc1ccc([N+](=O)[O-])cc1)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000023737892 507370055 /nfs/dbraw/zinc/37/00/55/507370055.db2.gz YDYCXGADGBTSCG-IBGZPJMESA-N 1 0 369.421 2.927 20 5 FFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000373445102 512334906 /nfs/dbraw/zinc/33/49/06/512334906.db2.gz ZQHRGWPLGXFUQN-CALCHBBNSA-N 1 0 366.421 2.502 20 5 FFBDRO O=C(CC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1)Nc1ccc(F)cc1 ZINC000047745633 507387795 /nfs/dbraw/zinc/38/77/95/507387795.db2.gz TXHBGQAXDSIAFX-UHFFFAOYSA-N 1 0 372.400 2.885 20 5 FFBDRO CC(C)[N@H+](C)CC1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000058861305 507473566 /nfs/dbraw/zinc/47/35/66/507473566.db2.gz QXLOZXJBEHBGSF-UHFFFAOYSA-N 1 0 352.410 2.509 20 5 FFBDRO C[NH+](C)CCN(Cc1ccccc1F)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000058991672 507489723 /nfs/dbraw/zinc/48/97/23/507489723.db2.gz LHHIYLGYUSYHPL-UHFFFAOYSA-N 1 0 359.401 2.867 20 5 FFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000059850243 507504751 /nfs/dbraw/zinc/50/47/51/507504751.db2.gz ZGWIQHGHSIMCLL-GOSISDBHSA-N 1 0 353.422 2.918 20 5 FFBDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000026567674 507598932 /nfs/dbraw/zinc/59/89/32/507598932.db2.gz JEPWNDWWTWDVNT-UHFFFAOYSA-N 1 0 354.410 2.907 20 5 FFBDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000026567484 507599092 /nfs/dbraw/zinc/59/90/92/507599092.db2.gz ZTEJSGMWXSNYCR-UHFFFAOYSA-N 1 0 354.410 2.907 20 5 FFBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC([NH+]2CCCCC2)CC1 ZINC000063516039 507740123 /nfs/dbraw/zinc/74/01/23/507740123.db2.gz IWTFWZBMGLIPIW-HNNXBMFYSA-N 1 0 360.458 2.872 20 5 FFBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000063693666 507759578 /nfs/dbraw/zinc/75/95/78/507759578.db2.gz CJJCACFLQBULCC-OAHLLOKOSA-N 1 0 371.441 2.631 20 5 FFBDRO CC(C)N(C(=O)[C@H](C)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)C(C)C ZINC000072665253 507840070 /nfs/dbraw/zinc/84/00/70/507840070.db2.gz GPDZTUYYFUHXDI-GJZGRUSLSA-N 1 0 363.462 2.510 20 5 FFBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000072719163 507847327 /nfs/dbraw/zinc/84/73/27/507847327.db2.gz UFFSUUAYJLZACM-JKSUJKDBSA-N 1 0 360.458 2.730 20 5 FFBDRO O=[N+]([O-])c1ccc2nc(N3CCC[C@H](C[NH+]4CCOCC4)C3)ccc2c1 ZINC000078250038 507850031 /nfs/dbraw/zinc/85/00/31/507850031.db2.gz HUFNRXZHKQTWAR-OAHLLOKOSA-N 1 0 356.426 2.692 20 5 FFBDRO COc1cc(C[N@@H+]2CCC[C@@H]([C@@H](C)O)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000089929004 507885586 /nfs/dbraw/zinc/88/55/86/507885586.db2.gz BTCMQATTYUVRMA-GHMZBOCLSA-N 1 0 360.357 2.798 20 5 FFBDRO Cc1cnc(N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000078658779 507893997 /nfs/dbraw/zinc/89/39/97/507893997.db2.gz OFAYXEZAALURDK-QGZVFWFLSA-N 1 0 355.442 2.699 20 5 FFBDRO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc(C(N)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000090068459 507906183 /nfs/dbraw/zinc/90/61/83/507906183.db2.gz AWKDDHGRSDARFN-SJCJKPOMSA-N 1 0 370.409 2.762 20 5 FFBDRO CC1CCC([N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H]2CCCO2)CC1 ZINC000090550793 507926828 /nfs/dbraw/zinc/92/68/28/507926828.db2.gz CBEQGBUIOAFEMC-HTWSVDAQSA-N 1 0 363.458 2.816 20 5 FFBDRO CCCO[C@H]1CCC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000109133295 507941834 /nfs/dbraw/zinc/94/18/34/507941834.db2.gz KBRIBVHRNLJJMP-ZWKOTPCHSA-N 1 0 361.442 2.981 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000073988702 507974412 /nfs/dbraw/zinc/97/44/12/507974412.db2.gz VYWSNFKSNFBQNB-YUTCNCBUSA-N 1 0 367.833 2.711 20 5 FFBDRO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000073992736 507974653 /nfs/dbraw/zinc/97/46/53/507974653.db2.gz XSNOQUUNIYZAAV-UONOGXRCSA-N 1 0 367.833 2.712 20 5 FFBDRO CCC[NH+]1CCC(N(C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000109788189 507987364 /nfs/dbraw/zinc/98/73/64/507987364.db2.gz CZCNAPYCRWNYIC-UHFFFAOYSA-N 1 0 359.430 2.951 20 5 FFBDRO CCC[N@@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C1 ZINC000091457723 507987521 /nfs/dbraw/zinc/98/75/21/507987521.db2.gz DWAHGOGHLGBZFN-OAHLLOKOSA-N 1 0 360.458 2.975 20 5 FFBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC[C@H]2CC[N@H+](C)C2)CC1 ZINC000109849254 507991854 /nfs/dbraw/zinc/99/18/54/507991854.db2.gz QXTXHBBPVWDJIG-OAHLLOKOSA-N 1 0 360.458 2.513 20 5 FFBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000079803992 508002583 /nfs/dbraw/zinc/00/25/83/508002583.db2.gz NUJWITWBHVVACI-LLVKDONJSA-N 1 0 356.220 2.524 20 5 FFBDRO CC[N@H+](CCNC(=O)c1ccc(Br)cc1[N+](=O)[O-])C1CC1 ZINC000079804988 508002608 /nfs/dbraw/zinc/00/26/08/508002608.db2.gz ITWFDOQBAGABGR-UHFFFAOYSA-N 1 0 356.220 2.571 20 5 FFBDRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000074857983 508062895 /nfs/dbraw/zinc/06/28/95/508062895.db2.gz BNQACBUWZBRGPH-QGZVFWFLSA-N 1 0 360.458 2.511 20 5 FFBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000110996801 508064370 /nfs/dbraw/zinc/06/43/70/508064370.db2.gz JPGAVELYMIISRF-MRXNPFEDSA-N 1 0 371.441 2.600 20 5 FFBDRO CC[NH+](CC)CCOC1CCN(Cc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000075007661 508076570 /nfs/dbraw/zinc/07/65/70/508076570.db2.gz WAUJVHSNIBECAX-UHFFFAOYSA-N 1 0 365.474 2.926 20 5 FFBDRO CN1CC[C@H]([NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1c1ccc(F)cc1 ZINC000377654657 512380023 /nfs/dbraw/zinc/38/00/23/512380023.db2.gz RMBZFZYEHPOJDX-QFBILLFUSA-N 1 0 372.400 2.707 20 5 FFBDRO COCCOc1cccc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000093534295 508148551 /nfs/dbraw/zinc/14/85/51/508148551.db2.gz FTSKKCMREXCWEH-INIZCTEOSA-N 1 0 372.425 2.701 20 5 FFBDRO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000112680063 508208637 /nfs/dbraw/zinc/20/86/37/508208637.db2.gz NRUMCHNDUYHXFA-GFCCVEGCSA-N 1 0 351.378 2.585 20 5 FFBDRO C[NH+](C)CCN(Cc1cccs1)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000084251323 508271399 /nfs/dbraw/zinc/27/13/99/508271399.db2.gz ADHOEWITFNASEF-UHFFFAOYSA-N 1 0 351.403 2.999 20 5 FFBDRO COc1cc(C[NH2+]C[C@@](C)(O)c2ccc(F)cc2F)c([N+](=O)[O-])cc1O ZINC000114509273 508323198 /nfs/dbraw/zinc/32/31/98/508323198.db2.gz DAMQMXHWBFXZNQ-QGZVFWFLSA-N 1 0 368.336 2.585 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])c(N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1Cl ZINC000133690470 508435690 /nfs/dbraw/zinc/43/56/90/508435690.db2.gz YRRTXMKILAAHQJ-FZMZJTMJSA-N 1 0 367.833 2.955 20 5 FFBDRO C[C@@H]1C[C@H](N(C)C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000121869604 508437149 /nfs/dbraw/zinc/43/71/49/508437149.db2.gz AXTBWXRWQFSWJJ-ZWNOBZJWSA-N 1 0 370.247 2.912 20 5 FFBDRO CCOC(=O)c1ccnc(N2CC[NH+](C3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000152426386 508443787 /nfs/dbraw/zinc/44/37/87/508443787.db2.gz DQWNNAMFEBBGCB-UHFFFAOYSA-N 1 0 362.430 2.621 20 5 FFBDRO Cc1cc(C(=O)NC2CC[NH+](Cc3cccc([N+](=O)[O-])c3C)CC2)no1 ZINC000116075813 508469268 /nfs/dbraw/zinc/46/92/68/508469268.db2.gz PVWAMHSRLNGTCJ-UHFFFAOYSA-N 1 0 358.398 2.594 20 5 FFBDRO C[NH+](C)CCOc1ccccc1CNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000133943644 508472358 /nfs/dbraw/zinc/47/23/58/508472358.db2.gz JDBVBPYILLYRHW-UHFFFAOYSA-N 1 0 361.373 2.604 20 5 FFBDRO Cc1cc(C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)cc([N+](=O)[O-])c1 ZINC000122155922 508490125 /nfs/dbraw/zinc/49/01/25/508490125.db2.gz ZYRMWHVKWMDAGR-UHFFFAOYSA-N 1 0 368.437 2.903 20 5 FFBDRO Cn1cc(C[NH2+][C@@H](CO)Cc2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000152719229 508501431 /nfs/dbraw/zinc/50/14/31/508501431.db2.gz LIVSRIHIIWJEFJ-GOSISDBHSA-N 1 0 366.421 2.689 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000122236752 508504122 /nfs/dbraw/zinc/50/41/22/508504122.db2.gz MHROBRORCZKYFH-RISCZKNCSA-N 1 0 364.402 2.614 20 5 FFBDRO COCC[NH+]1CCC(Nc2cc(Cl)c(C(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000122245901 508506124 /nfs/dbraw/zinc/50/61/24/508506124.db2.gz OAJFQWDKFPELGP-UHFFFAOYSA-N 1 0 371.821 2.558 20 5 FFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC([NH+](C)C)CC1 ZINC000127910010 508519746 /nfs/dbraw/zinc/51/97/46/508519746.db2.gz UXLUJTGUBBUZGW-LLVKDONJSA-N 1 0 354.838 2.601 20 5 FFBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000157158391 508530833 /nfs/dbraw/zinc/53/08/33/508530833.db2.gz WRKFBIYPXKWIRK-IAGOWNOFSA-N 1 0 372.469 2.751 20 5 FFBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1SCCOC ZINC000128093642 508546496 /nfs/dbraw/zinc/54/64/96/508546496.db2.gz KMONPESPZAYWIK-AWEZNQCLSA-N 1 0 367.471 2.547 20 5 FFBDRO CC[N@H+](CCNC(=O)c1ccc([N+](=O)[O-])cc1Br)C(C)C ZINC000122541131 508551489 /nfs/dbraw/zinc/55/14/89/508551489.db2.gz QBUBKVNIAJBPBV-UHFFFAOYSA-N 1 0 358.236 2.817 20 5 FFBDRO Cc1sc(S(=O)(=O)NCc2ccccc2C[NH+](C)C)cc1[N+](=O)[O-] ZINC000122886932 508601922 /nfs/dbraw/zinc/60/19/22/508601922.db2.gz JUAXGDNNTMKGRC-UHFFFAOYSA-N 1 0 369.468 2.505 20 5 FFBDRO CC[NH+]1CCC(CCNC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000123143804 508642481 /nfs/dbraw/zinc/64/24/81/508642481.db2.gz BXCVQHOMEKFUQZ-UHFFFAOYSA-N 1 0 350.419 2.847 20 5 FFBDRO C[NH+](C)[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1F)c1cccs1 ZINC000123178438 508647768 /nfs/dbraw/zinc/64/77/68/508647768.db2.gz CPJSVATZCNWMNX-CQSZACIVSA-N 1 0 351.403 2.757 20 5 FFBDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)c2[nH]ncc2[N+](=O)[O-])C1 ZINC000136314531 508686118 /nfs/dbraw/zinc/68/61/18/508686118.db2.gz SIKVQYHYUYJXCJ-ZIAGYGMSSA-N 1 0 371.441 2.726 20 5 FFBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000119036285 508711660 /nfs/dbraw/zinc/71/16/60/508711660.db2.gz UNMXMMYRDXQWRK-KXBFYZLASA-N 1 0 368.437 2.915 20 5 FFBDRO Cc1sc(S(=O)(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000123599852 508712189 /nfs/dbraw/zinc/71/21/89/508712189.db2.gz OWPKCFJYRQAEOF-CYBMUJFWSA-N 1 0 373.500 2.604 20 5 FFBDRO C[C@@H]1C[NH+](CCCCNC(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000119105099 508726567 /nfs/dbraw/zinc/72/65/67/508726567.db2.gz APHOHUOUVISWHA-CHWSQXEVSA-N 1 0 369.849 2.867 20 5 FFBDRO CN(c1nc(CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cs1)C1CC1 ZINC000137512130 508759510 /nfs/dbraw/zinc/75/95/10/508759510.db2.gz PMOLTOGPIOWAOK-LBPRGKRZSA-N 1 0 374.470 2.731 20 5 FFBDRO Cc1ccc([C@H](C)[NH2+]C[C@@]2(N3CCOCC3)CCSC2)cc1[N+](=O)[O-] ZINC000154427330 508782519 /nfs/dbraw/zinc/78/25/19/508782519.db2.gz UHLAXAPFDZRKSC-YJBOKZPZSA-N 1 0 365.499 2.762 20 5 FFBDRO C[NH+](C)C[C@H]1CCCN1C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000159104859 508792838 /nfs/dbraw/zinc/79/28/38/508792838.db2.gz ONZIDDRHEXIVBO-SNVBAGLBSA-N 1 0 356.220 2.524 20 5 FFBDRO Cn1cc(CN2CC[NH+](CC3CC3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000130637707 508825664 /nfs/dbraw/zinc/82/56/64/508825664.db2.gz RMTIOAJHUFEONG-UHFFFAOYSA-N 1 0 355.442 2.523 20 5 FFBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000124541476 508849132 /nfs/dbraw/zinc/84/91/32/508849132.db2.gz NMEMTOSAXWTQHN-MAUKXSAKSA-N 1 0 358.442 2.753 20 5 FFBDRO Cn1cc(N2CC[C@@H]([NH2+]Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2)cn1 ZINC000377728585 512422411 /nfs/dbraw/zinc/42/24/11/512422411.db2.gz XLQJXYKOPQTFOV-OAHLLOKOSA-N 1 0 367.409 2.957 20 5 FFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC000124828209 508891248 /nfs/dbraw/zinc/89/12/48/508891248.db2.gz XTXBBTQKNCESHO-SJCJKPOMSA-N 1 0 361.373 2.774 20 5 FFBDRO C[NH+](C)CCN1CCC([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000150950352 508929260 /nfs/dbraw/zinc/92/92/60/508929260.db2.gz MNOXSGYOTPWEBP-LJQANCHMSA-N 1 0 360.502 2.532 20 5 FFBDRO COc1cc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000160061642 508932237 /nfs/dbraw/zinc/93/22/37/508932237.db2.gz GLAMVDKMKIXNKZ-QGZVFWFLSA-N 1 0 369.421 2.998 20 5 FFBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000160245455 508959985 /nfs/dbraw/zinc/95/99/85/508959985.db2.gz OVEAETJKHVPBBF-LIRRHRJNSA-N 1 0 368.437 2.887 20 5 FFBDRO C[C@@H](CNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)[NH+]1CCC(C)CC1 ZINC000125336865 508967247 /nfs/dbraw/zinc/96/72/47/508967247.db2.gz YLFQEVPKQYAUHF-HNNXBMFYSA-N 1 0 360.458 2.783 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CN(C)Cc1cn(C)nc1C(F)(F)F ZINC000155294893 508969833 /nfs/dbraw/zinc/96/98/33/508969833.db2.gz HNIUZZWEFABONW-UHFFFAOYSA-N 1 0 358.320 2.988 20 5 FFBDRO NC(=O)[C@H]1CCC[N@H+](CCCNc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000160970161 509055032 /nfs/dbraw/zinc/05/50/32/509055032.db2.gz CCMUSWRHBKEPLH-NSHDSACASA-N 1 0 374.363 2.613 20 5 FFBDRO C[N@H+](CCC1CCOCC1)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000120780157 509063688 /nfs/dbraw/zinc/06/36/88/509063688.db2.gz LWEOTWNCNJDNSW-UHFFFAOYSA-N 1 0 355.822 2.935 20 5 FFBDRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000126672955 509111314 /nfs/dbraw/zinc/11/13/14/509111314.db2.gz HSKNEAAMRYYPJA-LBPRGKRZSA-N 1 0 372.450 2.932 20 5 FFBDRO CC[N@H+](CCNC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1)C1CC1 ZINC000121152545 509140262 /nfs/dbraw/zinc/14/02/62/509140262.db2.gz PBNGNTXHRMFARU-UHFFFAOYSA-N 1 0 370.247 2.880 20 5 FFBDRO COCC[N@H+](C)CCCNc1cc(C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000126918585 509147048 /nfs/dbraw/zinc/14/70/48/509147048.db2.gz HLAIXPBGBUYRIK-UHFFFAOYSA-N 1 0 359.430 2.740 20 5 FFBDRO C[NH2+]CCCNC(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 ZINC000121253391 509157945 /nfs/dbraw/zinc/15/79/45/509157945.db2.gz UIVVXSBQVRHHNU-UHFFFAOYSA-N 1 0 366.468 2.850 20 5 FFBDRO CCCN(C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CC[NH2+]C1 ZINC000178934968 509189436 /nfs/dbraw/zinc/18/94/36/509189436.db2.gz QFSVJEKYFFSUIU-AWEZNQCLSA-N 1 0 360.439 2.932 20 5 FFBDRO C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C[N@@H+]1C1CC1 ZINC000182350713 509189705 /nfs/dbraw/zinc/18/97/05/509189705.db2.gz AGTQNNUJVALKDH-VHSXEESVSA-N 1 0 355.341 2.551 20 5 FFBDRO COc1ccc([C@H](CCO)[NH2+]CC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000182395011 509213781 /nfs/dbraw/zinc/21/37/81/509213781.db2.gz LSUKOZAJGPXSMR-KRWDZBQOSA-N 1 0 373.409 2.564 20 5 FFBDRO C[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000182404250 509220361 /nfs/dbraw/zinc/22/03/61/509220361.db2.gz IAWHHPPPVDGFGJ-WFASDCNBSA-N 1 0 361.354 2.594 20 5 FFBDRO COc1cccc(F)c1[C@@H](C)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182434548 509235715 /nfs/dbraw/zinc/23/57/15/509235715.db2.gz LONQOHWBDZBDDI-CHWSQXEVSA-N 1 0 364.373 2.833 20 5 FFBDRO C[C@@H]([NH2+]Cc1cccc(C(=O)N2CCOCC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000266903078 509248784 /nfs/dbraw/zinc/24/87/84/509248784.db2.gz UQVRLVHWDFRAJH-OAHLLOKOSA-N 1 0 369.421 2.918 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000248459696 509331477 /nfs/dbraw/zinc/33/14/77/509331477.db2.gz NUYVKSTYOAGTOZ-DLBZAZTESA-N 1 0 357.410 2.521 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCN1CCc2ccccc2C1=O ZINC000189039653 509382509 /nfs/dbraw/zinc/38/25/09/509382509.db2.gz PDSCQNVSHOXTCT-UHFFFAOYSA-N 1 0 369.421 2.782 20 5 FFBDRO C[NH+](C)CCCOC1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC000267187089 509385171 /nfs/dbraw/zinc/38/51/71/509385171.db2.gz AXNHQWYVPBQFSJ-UHFFFAOYSA-N 1 0 374.441 2.649 20 5 FFBDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)CN(C)c2ccccc2[N+](=O)[O-])C1 ZINC000163540089 509390067 /nfs/dbraw/zinc/39/00/67/509390067.db2.gz ZXSSNEAKYWXCOH-MRXNPFEDSA-N 1 0 362.474 2.515 20 5 FFBDRO COc1cc(CNC[C@@H](C)[NH+](C)C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000264234172 509399615 /nfs/dbraw/zinc/39/96/15/509399615.db2.gz CSSPOWSALGOKOQ-SNVBAGLBSA-N 1 0 365.352 2.584 20 5 FFBDRO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000192219633 509410464 /nfs/dbraw/zinc/41/04/64/509410464.db2.gz MYRFWIYPXVGUMK-IBGZPJMESA-N 1 0 369.421 2.616 20 5 FFBDRO O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000264257386 509416180 /nfs/dbraw/zinc/41/61/80/509416180.db2.gz CGYRNSMFAKMWQP-QGZVFWFLSA-N 1 0 353.422 2.889 20 5 FFBDRO CCc1n[nH]c(C(=O)N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000173208558 509457098 /nfs/dbraw/zinc/45/70/98/509457098.db2.gz OTOWWDXUAJTQMA-AWEZNQCLSA-N 1 0 371.441 2.617 20 5 FFBDRO CCS(=O)(=O)N(C)C1CC[NH+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000182873995 509469890 /nfs/dbraw/zinc/46/98/90/509469890.db2.gz NKRHOFTZTHWKTR-CQSZACIVSA-N 1 0 369.487 2.710 20 5 FFBDRO Cc1cc(Br)c2c(c1)CN(CCn1ccc([N+](=O)[O-])n1)CC2 ZINC000189233010 509474018 /nfs/dbraw/zinc/47/40/18/509474018.db2.gz NDUBGXUTPOZDEB-UHFFFAOYSA-N 1 0 365.231 2.921 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N3CC[C@H]([NH3+])C[C@@H]3C)cc2[N+](=O)[O-])CC1 ZINC000236669211 509475872 /nfs/dbraw/zinc/47/58/72/509475872.db2.gz NUXFURVISPDGET-HOCLYGCPSA-N 1 0 360.458 2.783 20 5 FFBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2Br)C1 ZINC000192371412 509487164 /nfs/dbraw/zinc/48/71/64/509487164.db2.gz NWRGSJPKJPEQQG-MNOVXSKESA-N 1 0 370.247 2.960 20 5 FFBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1cccc(OC(F)F)c1 ZINC000179575856 509520576 /nfs/dbraw/zinc/52/05/76/509520576.db2.gz HBKIRWFAJAVENU-NSHDSACASA-N 1 0 353.325 2.709 20 5 FFBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccc(OC(F)F)cc1 ZINC000179601182 509531545 /nfs/dbraw/zinc/53/15/45/509531545.db2.gz ZOZZZLTTXYGFIX-LLVKDONJSA-N 1 0 353.325 2.709 20 5 FFBDRO COc1cc(C)c([C@H](C)[NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1OC ZINC000179618583 509539819 /nfs/dbraw/zinc/53/98/19/509539819.db2.gz OLXSLAUNLDILTK-LBPRGKRZSA-N 1 0 373.409 2.870 20 5 FFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000248907110 509540122 /nfs/dbraw/zinc/54/01/22/509540122.db2.gz UXUJMHVITOZJOA-CZUORRHYSA-N 1 0 355.398 2.632 20 5 FFBDRO CC(C)CN(C(=O)CN(C)c1ccccc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000173409972 509580340 /nfs/dbraw/zinc/58/03/40/509580340.db2.gz DZIYGFJAYAEABR-UHFFFAOYSA-N 1 0 362.474 2.610 20 5 FFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000189461120 509585932 /nfs/dbraw/zinc/58/59/32/509585932.db2.gz RTXUSDFWMYFXEY-HNNXBMFYSA-N 1 0 365.474 2.659 20 5 FFBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000165875689 509586622 /nfs/dbraw/zinc/58/66/22/509586622.db2.gz DKAHWPVRELUNFG-RNCFNFMXSA-N 1 0 356.220 2.699 20 5 FFBDRO O=C(NC1CC1)c1ccc(N2CC[C@H]([NH+]3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000264546326 509591757 /nfs/dbraw/zinc/59/17/57/509591757.db2.gz BXEUVHOOAMVAQZ-INIZCTEOSA-N 1 0 358.442 2.552 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2noc(CN3CC[C@@H]([NH+]4CCCCC4)C3)n2)cc1 ZINC000264557265 509598886 /nfs/dbraw/zinc/59/88/86/509598886.db2.gz DUFLPKZWBRGZPD-MRXNPFEDSA-N 1 0 357.414 2.705 20 5 FFBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000183148621 509626048 /nfs/dbraw/zinc/62/60/48/509626048.db2.gz VNGNHSFYCKZVFJ-BXUZGUMPSA-N 1 0 369.368 2.753 20 5 FFBDRO CC1CC[NH+](CCCCNC(=O)CN(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000173522588 509640466 /nfs/dbraw/zinc/64/04/66/509640466.db2.gz NQDGCLPFVREBND-UHFFFAOYSA-N 1 0 362.474 2.659 20 5 FFBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCC[NH2+]C2CC2)cc1 ZINC000237455597 509651725 /nfs/dbraw/zinc/65/17/25/509651725.db2.gz AYTDRZXJJXWGTO-UHFFFAOYSA-N 1 0 371.393 2.878 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](C)c1nnc2ccccn21 ZINC000192813149 509654941 /nfs/dbraw/zinc/65/49/41/509654941.db2.gz ASWYTCQMKNDZCI-ZDUSSCGKSA-N 1 0 368.397 2.625 20 5 FFBDRO O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000264703935 509656387 /nfs/dbraw/zinc/65/63/87/509656387.db2.gz AJWHTLUKYKICDV-AWEZNQCLSA-N 1 0 370.409 2.549 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1CCCO[C@H]1CC(C)C ZINC000186339978 509657812 /nfs/dbraw/zinc/65/78/12/509657812.db2.gz VRZJOUOJOFJAIO-PBHICJAKSA-N 1 0 365.430 2.725 20 5 FFBDRO CC(C)C[C@H]1OCCC[C@@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000186344357 509660799 /nfs/dbraw/zinc/66/07/99/509660799.db2.gz IUIBMPHRDOCJTB-DLBZAZTESA-N 1 0 370.471 2.552 20 5 FFBDRO CCC(CC)(CC(=O)OC)[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000267937025 509679210 /nfs/dbraw/zinc/67/92/10/509679210.db2.gz QQXFMAAACOBZNW-UHFFFAOYSA-N 1 0 362.386 2.856 20 5 FFBDRO COc1cc(CN2CCC([NH+](C)C)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000179937863 509681435 /nfs/dbraw/zinc/68/14/35/509681435.db2.gz UHPJKVLTQJVVGD-UHFFFAOYSA-N 1 0 373.400 2.773 20 5 FFBDRO CC[NH+](CC)CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000267956040 509686109 /nfs/dbraw/zinc/68/61/09/509686109.db2.gz RLPACORGHWIOTM-UHFFFAOYSA-N 1 0 362.199 2.568 20 5 FFBDRO CC[C@@]1(CO)CCC[N@@H+]1Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000189689243 509704051 /nfs/dbraw/zinc/70/40/51/509704051.db2.gz HFVQFQWJZWGBNK-INIZCTEOSA-N 1 0 360.357 2.942 20 5 FFBDRO C[C@H]1C[C@H]1[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000180026099 509716140 /nfs/dbraw/zinc/71/61/40/509716140.db2.gz UUZWDYLDPLRWBH-IAOMBJDPSA-N 1 0 364.833 2.793 20 5 FFBDRO Cc1ccc(NCCCNC(=O)[C@H]2[NH2+]CCc3ccccc32)c([N+](=O)[O-])c1 ZINC000237732311 509721327 /nfs/dbraw/zinc/72/13/27/509721327.db2.gz FTTLFGODYDIKRW-IBGZPJMESA-N 1 0 368.437 2.708 20 5 FFBDRO CCN(CCC[NH+]1CCCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000189785187 509751299 /nfs/dbraw/zinc/75/12/99/509751299.db2.gz UHDFQCRHWHURHL-UHFFFAOYSA-N 1 0 350.419 2.943 20 5 FFBDRO C[NH+](C)C[C@@H]1CCCN1C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000268125348 509769831 /nfs/dbraw/zinc/76/98/31/509769831.db2.gz LLPBVMLJBBAXHY-AWEZNQCLSA-N 1 0 360.439 2.885 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000183419407 509777184 /nfs/dbraw/zinc/77/71/84/509777184.db2.gz IQDJHURTVTUIHQ-MSOLQXFVSA-N 1 0 356.422 2.945 20 5 FFBDRO O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000186584157 509785527 /nfs/dbraw/zinc/78/55/27/509785527.db2.gz PWNINTQTCGRHTO-QGZVFWFLSA-N 1 0 354.410 2.774 20 5 FFBDRO O=C(c1csc([N+](=O)[O-])c1)N(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000186614278 509803644 /nfs/dbraw/zinc/80/36/44/509803644.db2.gz BRBCISGKTVFQJN-OAHLLOKOSA-N 1 0 360.439 2.836 20 5 FFBDRO O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCC[C@H]1CCC[NH2+]C1 ZINC000238150976 509827493 /nfs/dbraw/zinc/82/74/93/509827493.db2.gz WQVCKFRWUWXQBA-MRXNPFEDSA-N 1 0 363.461 2.661 20 5 FFBDRO CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)C1 ZINC000173920938 509854346 /nfs/dbraw/zinc/85/43/46/509854346.db2.gz POCGNMDJELZNML-OAHLLOKOSA-N 1 0 369.487 2.564 20 5 FFBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)NC[C@H]3CCC[N@@H+]3C)cc2[N+](=O)[O-])C1 ZINC000253356599 509870255 /nfs/dbraw/zinc/87/02/55/509870255.db2.gz VNUKBCPTSYDOIY-HLLBOEOZSA-N 1 0 374.485 2.901 20 5 FFBDRO C[C@H](C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000245203392 509884620 /nfs/dbraw/zinc/88/46/20/509884620.db2.gz QMVYGVSLYOPTKB-BZUAXINKSA-N 1 0 360.458 2.505 20 5 FFBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NC3(C)CC[NH2+]CC3)cc2[N+](=O)[O-])C1 ZINC000193399964 509898520 /nfs/dbraw/zinc/89/85/20/509898520.db2.gz CKLTUFQHNKJJIH-HUUCEWRRSA-N 1 0 374.485 2.949 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000171048059 509907667 /nfs/dbraw/zinc/90/76/67/509907667.db2.gz NHHMRNZLYUGFKL-UHFFFAOYSA-N 1 0 356.426 2.807 20 5 FFBDRO COc1ccccc1CCNC(=O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180443244 509926961 /nfs/dbraw/zinc/92/69/61/509926961.db2.gz QCJKQOXYWHDQLD-CQSZACIVSA-N 1 0 357.410 2.613 20 5 FFBDRO CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000177191318 509927181 /nfs/dbraw/zinc/92/71/81/509927181.db2.gz NQGONUUNNDROGC-LLVKDONJSA-N 1 0 356.220 2.571 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+](C2CC2)[C@@H]2CCCc3ccccc32)c1 ZINC000245438547 509933761 /nfs/dbraw/zinc/93/37/61/509933761.db2.gz FLFJHNSUQVVGGW-PKOBYXMFSA-N 1 0 356.426 2.694 20 5 FFBDRO O=C(COc1ccccc1[N+](=O)[O-])NC1CC[NH+](C2CCCCC2)CC1 ZINC000177255278 509962586 /nfs/dbraw/zinc/96/25/86/509962586.db2.gz GVKUVOQFTYLYGB-UHFFFAOYSA-N 1 0 361.442 2.887 20 5 FFBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])C1 ZINC000174155377 509974345 /nfs/dbraw/zinc/97/43/45/509974345.db2.gz COOLZAHQCPYNCB-GFCCVEGCSA-N 1 0 367.471 2.882 20 5 FFBDRO COC(=O)c1cnc(NC[C@@H](c2cccs2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000190164291 509978453 /nfs/dbraw/zinc/97/84/53/509978453.db2.gz YWNMVSCXTBIHPR-LBPRGKRZSA-N 1 0 350.400 2.553 20 5 FFBDRO C[C@@H]1C[C@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2Br)CC[N@@H+]1C ZINC000180571793 509990677 /nfs/dbraw/zinc/99/06/77/509990677.db2.gz IIQOVIONKJONOW-GHMZBOCLSA-N 1 0 370.247 2.912 20 5 FFBDRO CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C[C@@H]1CCCC[C@H]1O ZINC000245541699 509994270 /nfs/dbraw/zinc/99/42/70/509994270.db2.gz JJWOKJULEMPVBO-XHDPSFHLSA-N 1 0 355.822 2.670 20 5 FFBDRO CC(C)n1cnnc1[C@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000180629888 510023567 /nfs/dbraw/zinc/02/35/67/510023567.db2.gz YFJXPMXVGQSYPC-RDJZCZTQSA-N 1 0 359.430 2.680 20 5 FFBDRO COc1cc(CN2C[C@H](C)[C@H]([NH3+])C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000261679632 510024904 /nfs/dbraw/zinc/02/49/04/510024904.db2.gz AFUZUVWIXOYNLP-KBXCAEBGSA-N 1 0 371.437 2.961 20 5 FFBDRO CCc1ccc([C@@H]2C[NH2+]CCN2CC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000261708839 510036495 /nfs/dbraw/zinc/03/64/95/510036495.db2.gz KEZGNPPBCRQNFL-IBGZPJMESA-N 1 0 368.437 2.742 20 5 FFBDRO C[C@H](CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)[N@@H+]1CCC[C@H](C)C1 ZINC000245721179 510106655 /nfs/dbraw/zinc/10/66/55/510106655.db2.gz WCTKIDTYRPHQQP-LSDHHAIUSA-N 1 0 371.441 2.631 20 5 FFBDRO C[N@@H+]1CCC[C@@H]2CN(c3ccc([N+](=O)[O-])c(C(=O)N4CCCC4)c3)CC[C@H]21 ZINC000268865948 510108023 /nfs/dbraw/zinc/10/80/23/510108023.db2.gz SPABZKQFWDOCBF-CRAIPNDOSA-N 1 0 372.469 2.751 20 5 FFBDRO COc1ccc(NC(=O)CC[NH+]2CCC(c3ncc[nH]3)CC2)c([N+](=O)[O-])c1 ZINC000265548791 510110798 /nfs/dbraw/zinc/11/07/98/510110798.db2.gz YEOPMLAHTAWBAU-UHFFFAOYSA-N 1 0 373.413 2.535 20 5 FFBDRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000265586788 510127699 /nfs/dbraw/zinc/12/76/99/510127699.db2.gz XOSSNXAWTHIEMB-OKILXGFUSA-N 1 0 367.881 2.638 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N3CC[C@](C)(C[NH3+])C3)cc2[N+](=O)[O-])C1 ZINC000261957567 510128377 /nfs/dbraw/zinc/12/83/77/510128377.db2.gz KQFCXAGQEYYEHL-AUUYWEPGSA-N 1 0 360.458 2.642 20 5 FFBDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000245754290 510130649 /nfs/dbraw/zinc/13/06/49/510130649.db2.gz UOBVZCVBKKPJBJ-HUUCEWRRSA-N 1 0 360.458 2.904 20 5 FFBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000174483944 510135622 /nfs/dbraw/zinc/13/56/22/510135622.db2.gz ZGLUNMPBMODJLI-HNNXBMFYSA-N 1 0 360.458 2.609 20 5 FFBDRO COc1ccc(NC(=O)CC[N@@H+]2CCSC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000190466068 510147722 /nfs/dbraw/zinc/14/77/22/510147722.db2.gz PAGILDLQDKQPTD-LBPRGKRZSA-N 1 0 353.444 2.617 20 5 FFBDRO CCc1ccc([C@H]2C[NH2+]CCN2C(=O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000262022915 510150351 /nfs/dbraw/zinc/15/03/51/510150351.db2.gz RTFRIMCLKLPYSU-GOSISDBHSA-N 1 0 369.421 2.709 20 5 FFBDRO COc1cc(CN2C[C@H](C)[C@H]([NH3+])C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000262074165 510167977 /nfs/dbraw/zinc/16/79/77/510167977.db2.gz SHYFEGSRVGBZLR-WMLDXEAASA-N 1 0 371.437 2.961 20 5 FFBDRO COc1cc(CN2C[C@@H](C)[C@@H]([NH3+])C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000262074160 510168820 /nfs/dbraw/zinc/16/88/20/510168820.db2.gz SHYFEGSRVGBZLR-PBHICJAKSA-N 1 0 371.437 2.961 20 5 FFBDRO C[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)CC1(O)CCCCCC1 ZINC000187321606 510192688 /nfs/dbraw/zinc/19/26/88/510192688.db2.gz DLOAHZNGKWCRAU-UHFFFAOYSA-N 1 0 350.415 2.978 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)[C@@H](C)C1 ZINC000245928879 510214065 /nfs/dbraw/zinc/21/40/65/510214065.db2.gz HZJOUWBORSDOGD-FZMZJTMJSA-N 1 0 371.384 2.999 20 5 FFBDRO C[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Cl)c(Cl)c1 ZINC000174660802 510236544 /nfs/dbraw/zinc/23/65/44/510236544.db2.gz KSPZJQVQFZCHRX-SKDRFNHKSA-N 1 0 359.213 2.810 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@@H]2Cc2ccccc2Cl)c1 ZINC000174749406 510290490 /nfs/dbraw/zinc/29/04/90/510290490.db2.gz FHTFXGAUYDKNHJ-ZBFHGGJFSA-N 1 0 364.833 2.513 20 5 FFBDRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000269288769 510325412 /nfs/dbraw/zinc/32/54/12/510325412.db2.gz UBXZWOHCHHLKLF-ROUUACIJSA-N 1 0 358.442 2.896 20 5 FFBDRO CCC[NH+]1CCC(N(C)C(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)CC1 ZINC000265969308 510330322 /nfs/dbraw/zinc/33/03/22/510330322.db2.gz UQDULBSFWGSXJJ-UHFFFAOYSA-N 1 0 365.430 2.558 20 5 FFBDRO Cc1ccc(CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C[C@@H]2CCCO2)cc1 ZINC000174879543 510361655 /nfs/dbraw/zinc/36/16/55/510361655.db2.gz XFAAONUVLYDXPG-IBGZPJMESA-N 1 0 358.442 2.823 20 5 FFBDRO CC(C)c1n[nH]c(C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)c1[N+](=O)[O-] ZINC000269377961 510372144 /nfs/dbraw/zinc/37/21/44/510372144.db2.gz OCHYSHYDDKPJKW-CYBMUJFWSA-N 1 0 363.393 2.613 20 5 FFBDRO C[C@H]([NH2+]CCN(C)S(=O)(=O)c1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000181500697 510441076 /nfs/dbraw/zinc/44/10/76/510441076.db2.gz FENDZHJCGAVQLZ-LBPRGKRZSA-N 1 0 369.468 2.628 20 5 FFBDRO CC[C@@H]([NH2+]CC(=O)NC(=O)Nc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000181559796 510473462 /nfs/dbraw/zinc/47/34/62/510473462.db2.gz SIMPPGRZAAICQI-MRXNPFEDSA-N 1 0 356.382 2.984 20 5 FFBDRO Nc1c(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2)cccc1[N+](=O)[O-] ZINC000178182718 510475658 /nfs/dbraw/zinc/47/56/58/510475658.db2.gz ZGFDRKZEXRUZQD-UHFFFAOYSA-N 1 0 372.450 2.978 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)[C@H](C)C1 ZINC000175130773 510497678 /nfs/dbraw/zinc/49/76/78/510497678.db2.gz OMLJYRJFIKNSHO-GDBMZVCRSA-N 1 0 369.487 2.562 20 5 FFBDRO CCCc1n[nH]c(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000194743692 510506973 /nfs/dbraw/zinc/50/69/73/510506973.db2.gz SJMPABXXHKAJSH-OAHLLOKOSA-N 1 0 371.441 2.522 20 5 FFBDRO CC(C)(C)[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1F ZINC000181631325 510511304 /nfs/dbraw/zinc/51/13/04/510511304.db2.gz RAZQFVTUGNOUMO-CJNGLKHVSA-N 1 0 368.384 2.807 20 5 FFBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000175202403 510529358 /nfs/dbraw/zinc/52/93/58/510529358.db2.gz UEHYBBYVWYNZHS-GOSISDBHSA-N 1 0 358.442 2.573 20 5 FFBDRO COC[C@@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1ccccc1 ZINC000181704117 510547584 /nfs/dbraw/zinc/54/75/84/510547584.db2.gz FGOFMUKMPFIEHH-QGZVFWFLSA-N 1 0 373.409 2.909 20 5 FFBDRO C[C@]1([NH3+])CCCC[C@@H]1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000263142515 510581785 /nfs/dbraw/zinc/58/17/85/510581785.db2.gz CMGNSCAGUXPMLT-MJGOQNOKSA-N 1 0 361.442 2.872 20 5 FFBDRO CCc1n[nH]c(C(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)c1[N+](=O)[O-] ZINC000172197673 510594955 /nfs/dbraw/zinc/59/49/55/510594955.db2.gz MCOLVTOKXHLXRB-UONOGXRCSA-N 1 0 363.462 2.607 20 5 FFBDRO CCC[C@@]1(COC)CCC[N@@H+]1CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000194941713 510602173 /nfs/dbraw/zinc/60/21/73/510602173.db2.gz ALCBPRKHGIRUFW-SFHVURJKSA-N 1 0 365.430 2.823 20 5 FFBDRO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000269997236 510632968 /nfs/dbraw/zinc/63/29/68/510632968.db2.gz WUDULKAMAJVHPB-CLROSIBMSA-N 1 0 359.426 2.859 20 5 FFBDRO CCN(CCC[NH+]1CCCC1)S(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000188254623 510672016 /nfs/dbraw/zinc/67/20/16/510672016.db2.gz BEGGPKNMZSTTMM-UHFFFAOYSA-N 1 0 369.487 2.708 20 5 FFBDRO Cc1cc(C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)cc([N+](=O)[O-])c1 ZINC000266651691 510710484 /nfs/dbraw/zinc/71/04/84/510710484.db2.gz OGKOGLJHVKKNBR-UHFFFAOYSA-N 1 0 361.442 2.620 20 5 FFBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000195232822 510727349 /nfs/dbraw/zinc/72/73/49/510727349.db2.gz GRKUMFGWFWIJKV-UHFFFAOYSA-N 1 0 369.487 2.698 20 5 FFBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000266717336 510747521 /nfs/dbraw/zinc/74/75/21/510747521.db2.gz ALRBFLCYLHAXQL-QGZVFWFLSA-N 1 0 360.458 2.797 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1CCC(c2ccncc2)CC1 ZINC000191673499 510782196 /nfs/dbraw/zinc/78/21/96/510782196.db2.gz APUOMRKBZSDQDK-QGZVFWFLSA-N 1 0 357.410 2.609 20 5 FFBDRO CCOc1ccc(CN2CCN(c3c([N+](=O)[O-])c(C)nn3CC)CC2)cc1 ZINC000195340816 510791766 /nfs/dbraw/zinc/79/17/66/510791766.db2.gz CDADAIIBEYLVJS-UHFFFAOYSA-N 1 0 373.457 2.841 20 5 FFBDRO C[C@H](CCNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)[NH+]1CCCCC1 ZINC000182222638 510821287 /nfs/dbraw/zinc/82/12/87/510821287.db2.gz OFFHZLPLOXXYAC-OAHLLOKOSA-N 1 0 371.441 2.775 20 5 FFBDRO CC[NH+](CC)[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000182232907 510825621 /nfs/dbraw/zinc/82/56/21/510825621.db2.gz YZDNVMNIOGWHIA-LBPRGKRZSA-N 1 0 357.357 2.753 20 5 FFBDRO CC(C)[NH+](CCCNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)C(C)C ZINC000182264184 510838074 /nfs/dbraw/zinc/83/80/74/510838074.db2.gz NJVQSDZFENTZQT-UHFFFAOYSA-N 1 0 351.403 2.562 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000182285792 510843925 /nfs/dbraw/zinc/84/39/25/510843925.db2.gz HJNJEEPPCSDIOC-GFCCVEGCSA-N 1 0 357.366 2.921 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C1 ZINC000247446408 510861075 /nfs/dbraw/zinc/86/10/75/510861075.db2.gz PVVZUHJTUQOXJL-LRDDRELGSA-N 1 0 353.850 2.979 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000247511426 510863877 /nfs/dbraw/zinc/86/38/77/510863877.db2.gz VSCBCKWICVFMOP-GOEBONIOSA-N 1 0 371.441 2.583 20 5 FFBDRO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000360436525 510908057 /nfs/dbraw/zinc/90/80/57/510908057.db2.gz LUEWAWKRRNBAQU-HNNXBMFYSA-N 1 0 368.437 2.914 20 5 FFBDRO C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCS1(=O)=O ZINC000293998805 510924535 /nfs/dbraw/zinc/92/45/35/510924535.db2.gz SOTIWTRUNZAHTL-NHYWBVRUSA-N 1 0 366.464 2.989 20 5 FFBDRO Cc1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)cc1[N+](=O)[O-] ZINC000285609655 510977420 /nfs/dbraw/zinc/97/74/20/510977420.db2.gz JCXHKPJEAFWULZ-CCNLRDMRSA-N 1 0 374.485 2.637 20 5 FFBDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)C2)C1 ZINC000294169296 510977563 /nfs/dbraw/zinc/97/75/63/510977563.db2.gz OLJSVFGAPIJWHB-IBGZPJMESA-N 1 0 363.433 2.956 20 5 FFBDRO Cn1ccnc1[C@H](NCc1ncnn1C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000282438100 510977960 /nfs/dbraw/zinc/97/79/60/510977960.db2.gz FQZMKYREUQIRAU-MRXNPFEDSA-N 1 0 369.429 2.554 20 5 FFBDRO C[N@@H+]1CC[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(F)cc1 ZINC000361204186 511012440 /nfs/dbraw/zinc/01/24/40/511012440.db2.gz NCJBCYLTIILBQF-PKOBYXMFSA-N 1 0 357.385 2.838 20 5 FFBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)cc1 ZINC000286515338 511027630 /nfs/dbraw/zinc/02/76/30/511027630.db2.gz NACHZEYTDQXRCR-IUODEOHRSA-N 1 0 362.348 2.856 20 5 FFBDRO COC(=O)[C@]1(C)C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1C ZINC000282597462 511040335 /nfs/dbraw/zinc/04/03/35/511040335.db2.gz WEAWLDJLFNSREX-BFUOFWGJSA-N 1 0 373.409 2.923 20 5 FFBDRO COc1ccc(C[NH2+][C@H](C)C2CN(C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000294480440 511078711 /nfs/dbraw/zinc/07/87/11/511078711.db2.gz ZYMNAUHNDFBQQE-GFCCVEGCSA-N 1 0 365.430 2.948 20 5 FFBDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2nn(C)cc2[N+](=O)[O-])cc1 ZINC000271099416 511083060 /nfs/dbraw/zinc/08/30/60/511083060.db2.gz JUKKCDBHZUDHLE-AWEZNQCLSA-N 1 0 371.441 2.633 20 5 FFBDRO COc1ccc(OCC[N@@H+]2CC[C@@H](C3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000361940049 511106015 /nfs/dbraw/zinc/10/60/15/511106015.db2.gz AMUAXIQOPNCQBL-OAHLLOKOSA-N 1 0 350.415 2.731 20 5 FFBDRO Cn1ccnc1[C@@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)c1ccccc1F ZINC000364854048 511116136 /nfs/dbraw/zinc/11/61/36/511116136.db2.gz MZMNGJUEAQRHJU-SFHVURJKSA-N 1 0 368.368 2.916 20 5 FFBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC(COc3ccc(Cl)nc3)CC2)c1 ZINC000364887796 511135077 /nfs/dbraw/zinc/13/50/77/511135077.db2.gz MRELDOWLMJJTOF-UHFFFAOYSA-N 1 0 365.821 2.631 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)c1 ZINC000282856672 511137038 /nfs/dbraw/zinc/13/70/38/511137038.db2.gz OKQIRNSJCTUBIX-OAHLLOKOSA-N 1 0 361.442 2.797 20 5 FFBDRO CN(C)C(=O)COc1ccccc1C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282981074 511187560 /nfs/dbraw/zinc/18/75/60/511187560.db2.gz JJQSYWSIYZBNHH-UHFFFAOYSA-N 1 0 371.437 2.736 20 5 FFBDRO CC(C)C[C@@H](CNC(=O)c1nn(C)cc1[N+](=O)[O-])[NH2+][C@H](C)c1ccccc1 ZINC000271459268 511211650 /nfs/dbraw/zinc/21/16/50/511211650.db2.gz XANCWKMYIRFLKY-ZBFHGGJFSA-N 1 0 373.457 2.824 20 5 FFBDRO COc1cc(C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)c([N+](=O)[O-])cc1F ZINC000294992132 511246446 /nfs/dbraw/zinc/24/64/46/511246446.db2.gz OQAWDBMHSCXAKE-LBPRGKRZSA-N 1 0 353.394 2.689 20 5 FFBDRO Cn1cc([C@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3)CC23CCOCC3)cn1 ZINC000295098304 511281592 /nfs/dbraw/zinc/28/15/92/511281592.db2.gz UMTATYCPVYRAGO-GOSISDBHSA-N 1 0 356.426 2.725 20 5 FFBDRO COc1ccc(NC(=O)CC[N@H+]([C@@H](C)CO)C2CCCC2)c([N+](=O)[O-])c1 ZINC000298431868 511282156 /nfs/dbraw/zinc/28/21/56/511282156.db2.gz GMUQSEJKZYBKLR-ZDUSSCGKSA-N 1 0 365.430 2.557 20 5 FFBDRO COc1cccc([C@@H](C)[NH2+]CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])c1 ZINC000271731762 511304922 /nfs/dbraw/zinc/30/49/22/511304922.db2.gz YQESTOBBEPDWGA-GFCCVEGCSA-N 1 0 359.382 2.901 20 5 FFBDRO CSCC1CCC([NH2+][C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000295217399 511324840 /nfs/dbraw/zinc/32/48/40/511324840.db2.gz QOBGXOXAQQGISW-TVGUXLQWSA-N 1 0 354.472 2.501 20 5 FFBDRO COc1cc(C(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000295315044 511360139 /nfs/dbraw/zinc/36/01/39/511360139.db2.gz CSVKTPQDIGVJHJ-LBPRGKRZSA-N 1 0 365.405 2.689 20 5 FFBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](Cc3ccccn3)CC2)c2nonc21 ZINC000298710773 511383193 /nfs/dbraw/zinc/38/31/93/511383193.db2.gz KMRJHPWZLCFOOO-UHFFFAOYSA-N 1 0 354.370 2.603 20 5 FFBDRO COc1cc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)c([N+](=O)[O-])cc1F ZINC000295417373 511398094 /nfs/dbraw/zinc/39/80/94/511398094.db2.gz DSEFHSLKLZPAKZ-CRAIPNDOSA-N 1 0 373.384 2.918 20 5 FFBDRO Cc1c([C@H](C)[NH2+]C[C@](O)(c2nccn2C)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000272030255 511406094 /nfs/dbraw/zinc/40/60/94/511406094.db2.gz DYOLMWOQPWARFH-NHYWBVRUSA-N 1 0 372.347 2.737 20 5 FFBDRO CN(C)C(=O)O[C@@H]1CCCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000295444981 511408449 /nfs/dbraw/zinc/40/84/49/511408449.db2.gz DTWNROIRFMJISQ-MRXNPFEDSA-N 1 0 374.397 2.912 20 5 FFBDRO Cc1cc(Cl)c(C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000295571663 511449107 /nfs/dbraw/zinc/44/91/07/511449107.db2.gz ZZTKXPUWWWWETK-STQMWFEESA-N 1 0 369.849 2.786 20 5 FFBDRO COC[C@@H]1CC[N@H+](Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C1 ZINC000272215632 511468318 /nfs/dbraw/zinc/46/83/18/511468318.db2.gz BCBRASPHFNXFEQ-LLVKDONJSA-N 1 0 360.357 2.716 20 5 FFBDRO CC1(C)CC(NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CC(C)(C)[NH2+]1 ZINC000295772254 511510643 /nfs/dbraw/zinc/51/06/43/511510643.db2.gz QXSZVJBBRYQZCP-UHFFFAOYSA-N 1 0 361.442 2.983 20 5 FFBDRO Cc1nc2ccccn2c(=O)c1CC[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292243477 511518833 /nfs/dbraw/zinc/51/88/33/511518833.db2.gz WYZMNUJXLMOOKC-UHFFFAOYSA-N 1 0 366.421 2.979 20 5 FFBDRO C[C@@H]1C[C@H](c2cccnc2)[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000365588064 511545998 /nfs/dbraw/zinc/54/59/98/511545998.db2.gz UENKQNZMYJPZRG-UWWQBHOKSA-N 1 0 357.410 2.813 20 5 FFBDRO COc1cc(C[N@@H+]2CCC[C@H](c3nccn3C)C2)c([N+](=O)[O-])cc1OC ZINC000365818832 511666971 /nfs/dbraw/zinc/66/69/71/511666971.db2.gz HGVLLZSYIQRJHD-ZDUSSCGKSA-N 1 0 360.414 2.725 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@](CO)(Cc3ccccc3)C2)c1 ZINC000365841946 511682443 /nfs/dbraw/zinc/68/24/43/511682443.db2.gz PAZKGTREQWRUQX-RTWAWAEBSA-N 1 0 370.449 2.945 20 5 FFBDRO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCCCCC[NH+]1CCCC1 ZINC000292780306 511718315 /nfs/dbraw/zinc/71/83/15/511718315.db2.gz LSVJSWVLSRWKJJ-UHFFFAOYSA-N 1 0 355.460 2.676 20 5 FFBDRO Nc1c(C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000312662576 511785973 /nfs/dbraw/zinc/78/59/73/511785973.db2.gz MMYDWXDGCWHWQZ-MRXNPFEDSA-N 1 0 368.437 2.819 20 5 FFBDRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000363871632 511820146 /nfs/dbraw/zinc/82/01/46/511820146.db2.gz FWUXGCVYHQNGKT-UHFFFAOYSA-N 1 0 354.410 2.726 20 5 FFBDRO C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2N)CC[N@H+](Cc2ccccc2)C1 ZINC000324013818 511832780 /nfs/dbraw/zinc/83/27/80/511832780.db2.gz LVXOUIVSQKLNAO-HNNXBMFYSA-N 1 0 368.437 2.771 20 5 FFBDRO Cc1c(C[NH+]2CCC(CNC(=O)C(F)(F)F)CC2)cccc1[N+](=O)[O-] ZINC000281401496 511833577 /nfs/dbraw/zinc/83/35/77/511833577.db2.gz QODJEJXNWZQZGS-UHFFFAOYSA-N 1 0 359.348 2.794 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000324966656 511842300 /nfs/dbraw/zinc/84/23/00/511842300.db2.gz MDARQAURUKZJJB-CHWSQXEVSA-N 1 0 373.862 2.543 20 5 FFBDRO CN(CC[N@H+](C)C1CC1)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000274615482 511889005 /nfs/dbraw/zinc/88/90/05/511889005.db2.gz YDJAJUZDVYUXMP-UHFFFAOYSA-N 1 0 356.220 2.524 20 5 FFBDRO Cc1nc2ccccn2c(=O)c1CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296854916 511924801 /nfs/dbraw/zinc/92/48/01/511924801.db2.gz YKSCNXNKYLFRCC-ZDUSSCGKSA-N 1 0 352.394 2.804 20 5 FFBDRO C[C@@H]([NH2+]CCCN1C(=O)NC2(CCCCC2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000366285647 511939783 /nfs/dbraw/zinc/93/97/83/511939783.db2.gz OZWBEHNUQNIDKN-CQSZACIVSA-N 1 0 374.441 2.890 20 5 FFBDRO C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)C1=CC[N@H+](C)CC1 ZINC000293532078 512000042 /nfs/dbraw/zinc/00/00/42/512000042.db2.gz RIKNHXCJEZNVPA-SNVBAGLBSA-N 1 0 357.332 2.994 20 5 FFBDRO CS[C@@H]1CN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000275129608 512050277 /nfs/dbraw/zinc/05/02/77/512050277.db2.gz OJYMBBLIDJMHHV-ZIAGYGMSSA-N 1 0 369.874 2.900 20 5 FFBDRO Cn1cc(C[NH+]2CCC3(CCOC3=O)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000359883671 512054449 /nfs/dbraw/zinc/05/44/49/512054449.db2.gz XGPKOCKDEUZNQK-UHFFFAOYSA-N 1 0 370.409 2.524 20 5 FFBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@@H]2CCO[C@@]3(CCOC3)C2)c1 ZINC000360063019 512069848 /nfs/dbraw/zinc/06/98/48/512069848.db2.gz XNPXYOOHSOKTSH-WBMJQRKESA-N 1 0 358.341 2.624 20 5 FFBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NC(C)(C)C[NH+]2CCCC2)cc1OC ZINC000411089535 512465527 /nfs/dbraw/zinc/46/55/27/512465527.db2.gz WRQKTPWIJXQLCG-UHFFFAOYSA-N 1 0 365.430 2.606 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(CC(=O)NCCC[N@@H+]2CCCC[C@@H]2C)c1F ZINC000411181706 512507892 /nfs/dbraw/zinc/50/78/92/512507892.db2.gz UYKABNHTWAWISL-ZDUSSCGKSA-N 1 0 367.421 2.666 20 5 FFBDRO CC[C@@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369691616 512556551 /nfs/dbraw/zinc/55/65/51/512556551.db2.gz IZISJFVZNAVVHD-HUUCEWRRSA-N 1 0 363.462 2.608 20 5 FFBDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000369728602 512576694 /nfs/dbraw/zinc/57/66/94/512576694.db2.gz BKCPGRKJVKNQLG-LBPRGKRZSA-N 1 0 367.833 2.574 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(CC(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)c1F ZINC000411414773 512624868 /nfs/dbraw/zinc/62/48/68/512624868.db2.gz BZAGILSBMDUUDV-STQMWFEESA-N 1 0 367.421 2.522 20 5 FFBDRO COc1ccc([C@@H](CCO)[NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000411465459 512649527 /nfs/dbraw/zinc/64/95/27/512649527.db2.gz WSVNIBVBIMJZFP-GOSISDBHSA-N 1 0 373.409 2.645 20 5 FFBDRO CCOc1ccc(C(=O)N2CCCC3(CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000374147677 512678570 /nfs/dbraw/zinc/67/85/70/512678570.db2.gz JDGHAARKRBCPED-UHFFFAOYSA-N 1 0 361.442 2.942 20 5 FFBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000367845091 512687112 /nfs/dbraw/zinc/68/71/12/512687112.db2.gz ZXYDEXHBLYKKKS-AAEUAGOBSA-N 1 0 369.368 2.895 20 5 FFBDRO O=C(CC[NH2+][C@@H]1CCCC[C@@H]1n1cccn1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411566548 512692883 /nfs/dbraw/zinc/69/28/83/512692883.db2.gz ZKFOPCWLBLWXAC-SJORKVTESA-N 1 0 357.414 2.893 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)Nc2cnc3c(c2)C[NH2+]CC3)cc1SC ZINC000378394433 512737904 /nfs/dbraw/zinc/73/79/04/512737904.db2.gz JSYOLZYFWZKINN-UHFFFAOYSA-N 1 0 374.422 2.618 20 5 FFBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000378427748 512754154 /nfs/dbraw/zinc/75/41/54/512754154.db2.gz JLPRGVZVFWMQOG-KRWDZBQOSA-N 1 0 366.893 2.849 20 5 FFBDRO COc1ccc(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000378509383 512797088 /nfs/dbraw/zinc/79/70/88/512797088.db2.gz AGNCDKXHRQGEKB-HZPDHXFCSA-N 1 0 373.384 2.618 20 5 FFBDRO COc1ccc(NC(=O)CC[NH2+][C@H](C)[C@@](C)(OC)C2CC2)c([N+](=O)[O-])c1 ZINC000411970975 512895326 /nfs/dbraw/zinc/89/53/26/512895326.db2.gz OBRNYODRIDHTCW-KZULUSFZSA-N 1 0 365.430 2.725 20 5 FFBDRO CN1CC[NH+](CC2(C)CCN(Cc3csc([N+](=O)[O-])c3)CC2)CC1 ZINC000368331454 512902933 /nfs/dbraw/zinc/90/29/33/512902933.db2.gz JORCRFVYHGHFTM-UHFFFAOYSA-N 1 0 352.504 2.506 20 5 FFBDRO CC(=O)c1cc(NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000368542255 512992956 /nfs/dbraw/zinc/99/29/56/512992956.db2.gz CKACEVGSRKPSSH-MSOLQXFVSA-N 1 0 369.421 2.845 20 5 FFBDRO Cn1nccc1C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000374778531 512998140 /nfs/dbraw/zinc/99/81/40/512998140.db2.gz JYMWLWAAWLTTOD-IYHXRUFHSA-N 1 0 356.426 2.772 20 5 FFBDRO CCOC(=O)c1cc(NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000433710107 513132916 /nfs/dbraw/zinc/13/29/16/513132916.db2.gz RBPFCOOGGONTAC-OKILXGFUSA-N 1 0 365.430 2.683 20 5 FFBDRO CC(C)[C@@H](CC(F)(F)F)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000445888886 513138836 /nfs/dbraw/zinc/13/88/36/513138836.db2.gz XQILDDVKGPIPCF-TZMCWYRMSA-N 1 0 350.337 2.901 20 5 FFBDRO C[C@H]1CCCN(c2ccc(C(=O)NC[C@H]3CCC[NH2+]C3)cc2[N+](=O)[O-])C1 ZINC000428621267 513145787 /nfs/dbraw/zinc/14/57/87/513145787.db2.gz QSQVZGGVEVXSEM-GJZGRUSLSA-N 1 0 360.458 2.561 20 5 FFBDRO O=[N+]([O-])c1cccc2c1ccnc2N1CC[NH+](CC2CCOCC2)CC1 ZINC000450339688 513150373 /nfs/dbraw/zinc/15/03/73/513150373.db2.gz BLLXIKUKFANZIZ-UHFFFAOYSA-N 1 0 356.426 2.692 20 5 FFBDRO COC(=O)[C@]1(c2ccccc2)CC[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000428794043 513193460 /nfs/dbraw/zinc/19/34/60/513193460.db2.gz LXJCUGCRVMUSPK-HXUWFJFHSA-N 1 0 370.405 2.920 20 5 FFBDRO COC(=O)[C@]1(c2ccccc2)CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000428811720 513198222 /nfs/dbraw/zinc/19/82/22/513198222.db2.gz WFFIHALNFKIAHP-HXUWFJFHSA-N 1 0 354.406 2.954 20 5 FFBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000417759451 513198282 /nfs/dbraw/zinc/19/82/82/513198282.db2.gz DRRUQFKYSOIGOR-DLBZAZTESA-N 1 0 360.458 2.701 20 5 FFBDRO COc1c[nH+]ccc1N1CCN(c2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000450497074 513220897 /nfs/dbraw/zinc/22/08/97/513220897.db2.gz BWFHXKQZPWWMBO-UHFFFAOYSA-N 1 0 365.393 2.873 20 5 FFBDRO CC(C)[NH+](CCN(C)C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)C(C)C ZINC000450511066 513226978 /nfs/dbraw/zinc/22/69/78/513226978.db2.gz PRPQYCRGFFSBBU-UHFFFAOYSA-N 1 0 373.457 2.971 20 5 FFBDRO CCCN(CCN1CC[NH+](CC)CC1)c1nccc2c1cccc2[N+](=O)[O-] ZINC000450531653 513239157 /nfs/dbraw/zinc/23/91/57/513239157.db2.gz KCBCSSQVKLVPPO-UHFFFAOYSA-N 1 0 371.485 2.997 20 5 FFBDRO Cc1ccc([C@@H](C)NC(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000417854506 513240113 /nfs/dbraw/zinc/24/01/13/513240113.db2.gz QDCQLBYELKBLCP-PBHICJAKSA-N 1 0 360.458 2.995 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000428994673 513244669 /nfs/dbraw/zinc/24/46/69/513244669.db2.gz PJOYOFYKABARLM-DDUZABMNSA-N 1 0 360.458 2.504 20 5 FFBDRO C[NH+](C)CCc1ccccc1NC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000446576894 513286642 /nfs/dbraw/zinc/28/66/42/513286642.db2.gz JEVUJWKUEXJVKE-UHFFFAOYSA-N 1 0 371.441 2.933 20 5 FFBDRO C[C@@H](NC(=O)NC[C@@H]1[NH2+]CCc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000417992286 513322311 /nfs/dbraw/zinc/32/23/11/513322311.db2.gz WKFWGSKBRGBMAY-DYVFJYSZSA-N 1 0 354.410 2.842 20 5 FFBDRO Cc1cc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)ccc1-n1cncn1 ZINC000446839405 513347434 /nfs/dbraw/zinc/34/74/34/513347434.db2.gz SGVFGQUIMYDEJD-UHFFFAOYSA-N 1 0 363.381 2.650 20 5 FFBDRO Cc1c(NC(=O)N(C)[C@H](C[NH3+])C2CC2)cc(Br)cc1[N+](=O)[O-] ZINC000415666370 513369938 /nfs/dbraw/zinc/36/99/38/513369938.db2.gz WSEYBLICENYIGJ-CYBMUJFWSA-N 1 0 371.235 2.867 20 5 FFBDRO C[C@@H]1C[C@H](NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC[NH2+]1 ZINC000418094547 513370207 /nfs/dbraw/zinc/37/02/07/513370207.db2.gz VAFHEORRDLRYIU-BXKDBHETSA-N 1 0 360.336 2.553 20 5 FFBDRO C[NH2+][C@@H]1CCCN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000418098079 513371270 /nfs/dbraw/zinc/37/12/70/513371270.db2.gz ZATZVRPAKLHRAP-GFCCVEGCSA-N 1 0 360.336 2.507 20 5 FFBDRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000418105909 513373815 /nfs/dbraw/zinc/37/38/15/513373815.db2.gz BQIBKYGTTIABNK-HUUCEWRRSA-N 1 0 359.426 2.742 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N(C)C[C@@H]3CCC[N@@H+]3C)cc2[N+](=O)[O-])C1 ZINC000421706638 513378551 /nfs/dbraw/zinc/37/85/51/513378551.db2.gz VINZUDIPRDGDCW-WBVHZDCISA-N 1 0 374.485 2.997 20 5 FFBDRO C[C@H](CCCC[NH3+])NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415700560 513387955 /nfs/dbraw/zinc/38/79/55/513387955.db2.gz MTNLCQKZJJHHLX-SECBINFHSA-N 1 0 359.224 2.996 20 5 FFBDRO COc1cc(C(=O)NCc2ccc([C@@H](C)[NH3+])cc2)cc([N+](=O)[O-])c1OC ZINC000429506510 513394849 /nfs/dbraw/zinc/39/48/49/513394849.db2.gz WMVKLFMMPZIMLL-LLVKDONJSA-N 1 0 359.382 2.562 20 5 FFBDRO CC(C)[C@@H](CNc1nccc2ccc([N+](=O)[O-])cc21)[NH+]1CCN(C)CC1 ZINC000413047352 513407531 /nfs/dbraw/zinc/40/75/31/513407531.db2.gz UZMRIXIKHQYFAI-GOSISDBHSA-N 1 0 357.458 2.827 20 5 FFBDRO C[C@H](NC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000418332708 513467241 /nfs/dbraw/zinc/46/72/41/513467241.db2.gz DLEUXTVVWKROLK-UAGQMJEPSA-N 1 0 360.458 2.872 20 5 FFBDRO C[C@H](O)C[NH+]1CCC(CN(C)c2ccc([N+](=O)[O-])c3ncccc23)CC1 ZINC000413128863 513467939 /nfs/dbraw/zinc/46/79/39/513467939.db2.gz LBZWHIHNTHHWSC-AWEZNQCLSA-N 1 0 358.442 2.672 20 5 FFBDRO O=[N+]([O-])c1cnc(N2CCC([NH2+]CCOc3ccccc3)CC2)c(F)c1 ZINC000413152873 513486848 /nfs/dbraw/zinc/48/68/48/513486848.db2.gz DYSLKGXXKZXFQC-UHFFFAOYSA-N 1 0 360.389 2.766 20 5 FFBDRO CC[NH2+]Cc1ccccc1NC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000415943382 513491494 /nfs/dbraw/zinc/49/14/94/513491494.db2.gz LPWAFUCJXCLWPT-UHFFFAOYSA-N 1 0 357.414 2.938 20 5 FFBDRO O=C(CC1CCCC1)NCC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447540463 513501595 /nfs/dbraw/zinc/50/15/95/513501595.db2.gz JTVKRHGSILINJS-CVEARBPZSA-N 1 0 363.462 2.561 20 5 FFBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000415966440 513505917 /nfs/dbraw/zinc/50/59/17/513505917.db2.gz BXOPFLMWRHSCOU-UHFFFAOYSA-N 1 0 356.382 2.741 20 5 FFBDRO COCC(C)(C)[NH+]1CCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000425344719 513519253 /nfs/dbraw/zinc/51/92/53/513519253.db2.gz CMQRATWEDYUCMG-UHFFFAOYSA-N 1 0 373.400 2.739 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCOCC(F)(F)C(F)F)n1 ZINC000447601628 513520506 /nfs/dbraw/zinc/52/05/06/513520506.db2.gz QQNIUCAKFMGDNB-GHMZBOCLSA-N 1 0 368.331 2.782 20 5 FFBDRO C[C@@H](O)C[N@H+](Cc1c([N+](=O)[O-])ncn1C)[C@H](C)Cc1ccc(Cl)cc1 ZINC000441285139 513530503 /nfs/dbraw/zinc/53/05/03/513530503.db2.gz YDDVSBAZDRSZPW-CHWSQXEVSA-N 1 0 366.849 2.796 20 5 FFBDRO C[C@H]([NH3+])c1ccc(CNC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000418496006 513532843 /nfs/dbraw/zinc/53/28/43/513532843.db2.gz UWHRGWJAZLFPFE-ZDUSSCGKSA-N 1 0 370.409 2.587 20 5 FFBDRO CCN(CCC[NH+](CC)CC)C(=O)c1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000451114468 513533503 /nfs/dbraw/zinc/53/35/03/513533503.db2.gz MGUKHHGVRFNBLM-UHFFFAOYSA-N 1 0 355.410 2.937 20 5 FFBDRO CN1C(=O)NCC12CC[NH+](Cc1ccc(-c3ccccc3[N+](=O)[O-])o1)CC2 ZINC000425373353 513533466 /nfs/dbraw/zinc/53/34/66/513533466.db2.gz PQBPJZUIIAMWTI-UHFFFAOYSA-N 1 0 370.409 2.844 20 5 FFBDRO C[C@@H](CN=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1)[N@@H+]1CCc2ccccc2C1 ZINC000447666381 513534446 /nfs/dbraw/zinc/53/44/46/513534446.db2.gz ASSZYQKAGXKSLO-ZDUSSCGKSA-N 1 0 351.410 2.752 20 5 FFBDRO O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000435247446 513542946 /nfs/dbraw/zinc/54/29/46/513542946.db2.gz WTIHGZRZLKEJKR-AWEZNQCLSA-N 1 0 358.423 2.685 20 5 FFBDRO C[NH+](C)CCCOc1ccc(CNc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000447692460 513545195 /nfs/dbraw/zinc/54/51/95/513545195.db2.gz FKQSLTCVZTVMSU-UHFFFAOYSA-N 1 0 369.425 2.836 20 5 FFBDRO O=[N+]([O-])c1cnc(NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c(F)c1 ZINC000413256551 513551278 /nfs/dbraw/zinc/55/12/78/513551278.db2.gz CPANEVJDUYUOSJ-INIZCTEOSA-N 1 0 360.389 2.832 20 5 FFBDRO C[NH+](C)[C@@H]1CCOc2c(NC(=O)c3cccc([N+](=O)[O-])c3N)cccc21 ZINC000447731289 513556288 /nfs/dbraw/zinc/55/62/88/513556288.db2.gz SHNQZNMAKCWCEL-CQSZACIVSA-N 1 0 356.382 2.815 20 5 FFBDRO COc1ccc(-c2ccc(C[NH2+]CC3([S@@](C)=O)CC3)o2)c([N+](=O)[O-])c1 ZINC000441386221 513558083 /nfs/dbraw/zinc/55/80/83/513558083.db2.gz WLNAKHNALZMCLG-RUZDIDTESA-N 1 0 364.423 2.864 20 5 FFBDRO COc1cc(CN(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c([N+](=O)[O-])cc1OC(F)F ZINC000435393914 513573722 /nfs/dbraw/zinc/57/37/22/513573722.db2.gz IRYKCXVPZZFPIT-FUNVUKJBSA-N 1 0 371.384 2.920 20 5 FFBDRO CC(C)[NH+]1CCC(Nc2cc(CN3CCOCC3)ccc2[N+](=O)[O-])CC1 ZINC000447804300 513574953 /nfs/dbraw/zinc/57/49/53/513574953.db2.gz XWDDIFVSUWUGRT-UHFFFAOYSA-N 1 0 362.474 2.712 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCO[C@@H]1c1c(C)nn(C)c1C ZINC000430211768 513589073 /nfs/dbraw/zinc/58/90/73/513589073.db2.gz YTRDBKKFHFTISV-YJBOKZPZSA-N 1 0 360.414 2.574 20 5 FFBDRO CON1CCC([N@H+](C)Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000425492152 513597997 /nfs/dbraw/zinc/59/79/97/513597997.db2.gz MYQLSGMNWDMOPR-UHFFFAOYSA-N 1 0 358.236 2.815 20 5 FFBDRO Cn1c(C(=O)N(Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)ccc1[N+](=O)[O-] ZINC000435565208 513620212 /nfs/dbraw/zinc/62/02/12/513620212.db2.gz RTIUZNLHNRODME-HNNXBMFYSA-N 1 0 374.466 2.779 20 5 FFBDRO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@H](C1CCOCC1)C1(CO)CCC1 ZINC000425533251 513624985 /nfs/dbraw/zinc/62/49/85/513624985.db2.gz COHZUWYIQZVOBO-QGZVFWFLSA-N 1 0 352.406 2.781 20 5 FFBDRO Cc1c(NC(=O)[C@@H](C)N2CCC([NH2+]CC3CC3)CC2)cccc1[N+](=O)[O-] ZINC000430558325 513687365 /nfs/dbraw/zinc/68/73/65/513687365.db2.gz QAYOZRHHIZMRQM-CQSZACIVSA-N 1 0 360.458 2.694 20 5 FFBDRO O=C(CC[N@H+]1CCCC[C@@H]1[C@H]1CCC[C@H]1O)Nc1ccc([N+](=O)[O-])cc1 ZINC000451341705 513687697 /nfs/dbraw/zinc/68/76/97/513687697.db2.gz LLBIFZGBWJZHNF-KZNAEPCWSA-N 1 0 361.442 2.939 20 5 FFBDRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1c1ccc([N+](=O)[O-])c(OC(C)(C)C)c1 ZINC000419007337 513715152 /nfs/dbraw/zinc/71/51/52/513715152.db2.gz RKRAMHWRQYQKQS-UONOGXRCSA-N 1 0 351.447 2.663 20 5 FFBDRO Cc1cc(NCC(C)(C)C2(O)CCOCC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000419013953 513717331 /nfs/dbraw/zinc/71/73/31/513717331.db2.gz HNUVQVYTPXNEKI-UHFFFAOYSA-N 1 0 359.426 2.853 20 5 FFBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2[NH2+]CCCC2(C)C)cc1OC ZINC000430723940 513733448 /nfs/dbraw/zinc/73/34/48/513733448.db2.gz UADZLKQNQTTZBC-MRXNPFEDSA-N 1 0 365.430 2.510 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000442601594 513743216 /nfs/dbraw/zinc/74/32/16/513743216.db2.gz TXZPXGWJCFHPJX-NEPJUHHUSA-N 1 0 355.822 2.603 20 5 FFBDRO CCC[NH+]1CCC(CNS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)CC1 ZINC000416385627 513745175 /nfs/dbraw/zinc/74/51/75/513745175.db2.gz PTCDWXZGUCMWHY-UHFFFAOYSA-N 1 0 369.487 2.612 20 5 FFBDRO [NH3+]CC[C@@H]1CCCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000442622330 513746674 /nfs/dbraw/zinc/74/66/74/513746674.db2.gz ODIAQSBEGPYENW-LBPRGKRZSA-N 1 0 360.439 2.919 20 5 FFBDRO CO[C@@H]1[C@H](C)[C@@H]([NH2+]CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1(C)C ZINC000451499102 513789722 /nfs/dbraw/zinc/78/97/22/513789722.db2.gz LMZCWCFTWHJHDR-DFKRKDTASA-N 1 0 355.822 2.836 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1[C@@H](C)[C@@H](OC)C1(C)C ZINC000451503808 513794709 /nfs/dbraw/zinc/79/47/09/513794709.db2.gz RNNQUMCNDKWCIU-SSKCKEOISA-N 1 0 365.430 2.581 20 5 FFBDRO C[C@H]1C[N@H+](CCCNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])CCCO1 ZINC000436376325 513841465 /nfs/dbraw/zinc/84/14/65/513841465.db2.gz HHQQNZCJGLIBHY-NSHDSACASA-N 1 0 362.352 2.921 20 5 FFBDRO CC1CC[NH+](C[C@H](O)CNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000436386253 513842916 /nfs/dbraw/zinc/84/29/16/513842916.db2.gz JSUGJFJYARLEEQ-LLVKDONJSA-N 1 0 362.352 2.513 20 5 FFBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)C(C)(C)C[NH+]1CCCC1 ZINC000416658285 513892799 /nfs/dbraw/zinc/89/27/99/513892799.db2.gz FIHPMPLMAQNKFN-UHFFFAOYSA-N 1 0 369.487 2.652 20 5 FFBDRO C[C@@H](CNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)[NH+]1CCC(C)CC1 ZINC000448814928 513912077 /nfs/dbraw/zinc/91/20/77/513912077.db2.gz XZENVGGUEXBBGG-HNNXBMFYSA-N 1 0 361.442 2.794 20 5 FFBDRO C[C@@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000422749692 513920638 /nfs/dbraw/zinc/92/06/38/513920638.db2.gz AMXSEXFNAOWNHY-GHMZBOCLSA-N 1 0 357.863 2.845 20 5 FFBDRO CCC1(c2ccccc2)C[NH+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000414134249 513984636 /nfs/dbraw/zinc/98/46/36/513984636.db2.gz BBTHRBZIPSPRGA-KRWDZBQOSA-N 1 0 356.422 2.998 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCCN1 ZINC000423036627 514014192 /nfs/dbraw/zinc/01/41/92/514014192.db2.gz ATXACKXNUIHPIN-OAGGEKHMSA-N 1 0 353.850 2.537 20 5 FFBDRO CCOc1ccc([C@H](C)[NH2+]CCC(C)(C)S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000414253158 514023767 /nfs/dbraw/zinc/02/37/67/514023767.db2.gz IDFIXOGMERWBKP-LBPRGKRZSA-N 1 0 358.460 2.857 20 5 FFBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]Cc1nc2ncccn2n1 ZINC000414259163 514026293 /nfs/dbraw/zinc/02/62/93/514026293.db2.gz GQRRXJAHVCBHFQ-UKRRQHHQSA-N 1 0 352.398 2.534 20 5 FFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000423073721 514029214 /nfs/dbraw/zinc/02/92/14/514029214.db2.gz SAQPSPRNOVSAMQ-GOSISDBHSA-N 1 0 371.441 2.767 20 5 FFBDRO [NH3+]C[C@@H]1CN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@H]1c1ccccc1 ZINC000420242924 514058744 /nfs/dbraw/zinc/05/87/44/514058744.db2.gz NOJBGDICSPMBER-WBVHZDCISA-N 1 0 365.393 2.824 20 5 FFBDRO C[C@]1(C[NH3+])CCN(c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000420243687 514059221 /nfs/dbraw/zinc/05/92/21/514059221.db2.gz OOFNPGCOJLCUEV-LLVKDONJSA-N 1 0 354.279 2.819 20 5 FFBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H](CO)Cc1cc(F)c(F)c(F)c1 ZINC000443995409 514096215 /nfs/dbraw/zinc/09/62/15/514096215.db2.gz MZZOPJHXMFGJCX-LBPRGKRZSA-N 1 0 354.328 2.953 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+][C@@H](C)c2cccc(O)c2)cc1[N+](=O)[O-] ZINC000444002071 514098282 /nfs/dbraw/zinc/09/82/82/514098282.db2.gz DHHISVVCBCBMJC-LBPRGKRZSA-N 1 0 360.366 2.703 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C[C@@H]1C ZINC000444025923 514102128 /nfs/dbraw/zinc/10/21/28/514102128.db2.gz RVNOJVDCUXYVGB-STQMWFEESA-N 1 0 350.419 2.940 20 5 FFBDRO C[C@H]1CN(c2c(Cl)cccc2[N+](=O)[O-])CCN1C1CC[NH+](C)CC1 ZINC000432137540 514105013 /nfs/dbraw/zinc/10/50/13/514105013.db2.gz HUQPPVNGHFTVPR-ZDUSSCGKSA-N 1 0 352.866 2.853 20 5 FFBDRO CC(C)[C@@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])c1nc(-c2nc[nH]n2)no1 ZINC000449197264 514108414 /nfs/dbraw/zinc/10/84/14/514108414.db2.gz YNWOLZQHJBXJNN-SMDDNHRTSA-N 1 0 371.401 2.681 20 5 FFBDRO CC[NH+](CC)[C@H]1CCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000437182504 514108975 /nfs/dbraw/zinc/10/89/75/514108975.db2.gz JBMRNLMBATZZNL-AWEZNQCLSA-N 1 0 369.849 2.960 20 5 FFBDRO Cc1cc(OCC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000432197216 514122986 /nfs/dbraw/zinc/12/29/86/514122986.db2.gz WUGCKPYXLHYLQJ-PXNSSMCTSA-N 1 0 369.421 2.844 20 5 FFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])NC[C@@]1(COC)CCC[NH2+]1 ZINC000423414895 514135330 /nfs/dbraw/zinc/13/53/30/514135330.db2.gz OAYHSWUDDAIEEJ-WMLDXEAASA-N 1 0 353.488 2.824 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@@H](CO)[C@H]3CCCOC3)cs2)c1 ZINC000414546118 514172693 /nfs/dbraw/zinc/17/26/93/514172693.db2.gz GIFJIDUMLZIYFE-BBRMVZONSA-N 1 0 363.439 2.595 20 5 FFBDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000423597242 514178491 /nfs/dbraw/zinc/17/84/91/514178491.db2.gz UBFNRXDWQCYUOU-BZNIZROVSA-N 1 0 353.397 2.548 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000449360931 514178672 /nfs/dbraw/zinc/17/86/72/514178672.db2.gz VYINOTBBCBSYPL-UKRRQHHQSA-N 1 0 360.435 2.687 20 5 FFBDRO CC[NH2+][C@H](C)CNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000423612437 514182815 /nfs/dbraw/zinc/18/28/15/514182815.db2.gz UCEKTWRWZPDXKH-SNVBAGLBSA-N 1 0 359.376 2.687 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H]3CCCCN3CCO)o2)cc1 ZINC000449389036 514191109 /nfs/dbraw/zinc/19/11/09/514191109.db2.gz BQGZXOMBOVSSHI-KRWDZBQOSA-N 1 0 359.426 2.791 20 5 FFBDRO COCCOC1(C[NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000449395573 514192236 /nfs/dbraw/zinc/19/22/36/514192236.db2.gz VPWZQUMRQFNZLC-FOWTUZBSSA-N 1 0 364.442 2.800 20 5 FFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000423649323 514192962 /nfs/dbraw/zinc/19/29/62/514192962.db2.gz HOZKNLWHVYGEGI-UHFFFAOYSA-N 1 0 357.366 2.728 20 5 FFBDRO C[C@H](CNc1c(C(N)=O)cccc1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000420586001 514193335 /nfs/dbraw/zinc/19/33/35/514193335.db2.gz NPLKXKDOERPWDM-CYBMUJFWSA-N 1 0 354.410 2.552 20 5 FFBDRO CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccccc2NC2CC[NH+](C)CC2)n1 ZINC000427457257 514223600 /nfs/dbraw/zinc/22/36/00/514223600.db2.gz TUBWQQGZMJOKTF-UHFFFAOYSA-N 1 0 372.429 2.570 20 5 FFBDRO CC(C)[C@@H](CO)[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)C(C)C ZINC000449504578 514231720 /nfs/dbraw/zinc/23/17/20/514231720.db2.gz AASFCZJKLNWWAT-SJORKVTESA-N 1 0 352.431 2.840 20 5 FFBDRO CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000449509631 514232924 /nfs/dbraw/zinc/23/29/24/514232924.db2.gz JIXLKXAWXNEUAQ-CVEARBPZSA-N 1 0 364.398 2.673 20 5 FFBDRO CCOc1cc(NC(=O)N(C)[C@@H](C[NH3+])C2CC2)c([N+](=O)[O-])cc1OCC ZINC000414751437 514274384 /nfs/dbraw/zinc/27/43/84/514274384.db2.gz ALCVXCYCFOXYFP-AWEZNQCLSA-N 1 0 366.418 2.593 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000449640399 514276907 /nfs/dbraw/zinc/27/69/07/514276907.db2.gz AYYGAZLVJIPSTN-GVXVVHGQSA-N 1 0 355.822 2.649 20 5 FFBDRO C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(-n2ccnn2)cc1 ZINC000444690334 514294347 /nfs/dbraw/zinc/29/43/47/514294347.db2.gz SAFFNLWEHHYHBK-LBPRGKRZSA-N 1 0 363.381 2.903 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N(C)[C@H](C[NH3+])C3CC3)cc2[N+](=O)[O-])CC1 ZINC000423954917 514306762 /nfs/dbraw/zinc/30/67/62/514306762.db2.gz SETQOTRAOKLYHK-GOSISDBHSA-N 1 0 360.458 2.640 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000423958783 514309496 /nfs/dbraw/zinc/30/94/96/514309496.db2.gz MNFVDUAWOUTCOV-ZWNOBZJWSA-N 1 0 355.822 2.649 20 5 FFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423982841 514321293 /nfs/dbraw/zinc/32/12/93/514321293.db2.gz UZTDTOZWTSVGAD-DOTOQJQBSA-N 1 0 359.813 2.663 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N3CCC[C@H]4C[NH2+]C[C@H]43)cc2[N+](=O)[O-])C1 ZINC000449725098 514323936 /nfs/dbraw/zinc/32/39/36/514323936.db2.gz IIMXWAPNQYMWKB-SIXWZSSISA-N 1 0 372.469 2.655 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N3CC[C@@H](C)[C@H](C[NH3+])C3)cc2[N+](=O)[O-])C1 ZINC000423997615 514329206 /nfs/dbraw/zinc/32/92/06/514329206.db2.gz ACHIDGRVBXDHLU-BFYDXBDKSA-N 1 0 374.485 2.888 20 5 FFBDRO COC(=O)[C@@H]1C[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C[C@H]1c1ccccc1 ZINC000449752401 514335637 /nfs/dbraw/zinc/33/56/37/514335637.db2.gz FLCCBPCRBFGKJY-DLBZAZTESA-N 1 0 370.405 2.992 20 5 FFBDRO [NH3+][C@@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)C[C@H]1c1cccc(F)c1 ZINC000424010948 514337751 /nfs/dbraw/zinc/33/77/51/514337751.db2.gz MCUOHBQFLXLAQF-ZWKOTPCHSA-N 1 0 357.385 2.620 20 5 FFBDRO [NH3+][C@H]1CCCO[C@H]1C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000424009905 514338272 /nfs/dbraw/zinc/33/82/72/514338272.db2.gz ZDRYDUVUUCGQLT-HOTGVXAUSA-N 1 0 367.833 2.607 20 5 FFBDRO [NH3+][C@H]1CCO[C@@H](C2CCN(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])CC2)C1 ZINC000424011996 514340162 /nfs/dbraw/zinc/34/01/62/514340162.db2.gz NYUGXCWTFRWKES-XJKSGUPXSA-N 1 0 367.833 2.607 20 5 FFBDRO [NH3+]C[C@@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)C1CCCC1 ZINC000414942437 514367085 /nfs/dbraw/zinc/36/70/85/514367085.db2.gz DKWWSTPFEBUYOJ-GFCCVEGCSA-N 1 0 358.345 2.835 20 5 FFBDRO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000414948974 514370999 /nfs/dbraw/zinc/37/09/99/514370999.db2.gz MZIFDDFRKJJLNL-GARJFASQSA-N 1 0 370.356 2.706 20 5 FFBDRO CC[C@@H]1C[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C[C@@H](CC)O1 ZINC000420960570 514403668 /nfs/dbraw/zinc/40/36/68/514403668.db2.gz RNXBTMAZWMOXNH-HUUCEWRRSA-N 1 0 365.430 2.821 20 5 FFBDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000445086550 514409128 /nfs/dbraw/zinc/40/91/28/514409128.db2.gz TWDJIKKKTSQHGH-BETUJISGSA-N 1 0 374.445 2.533 20 5 FFBDRO CCN1CCC([N@@H+]2CCCN(Cc3ccc([N+](=O)[O-])cc3F)CC2)CC1 ZINC000420982117 514420981 /nfs/dbraw/zinc/42/09/81/514420981.db2.gz ORKXSLUAHZSFTQ-UHFFFAOYSA-N 1 0 364.465 2.726 20 5 FFBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000445135657 514424419 /nfs/dbraw/zinc/42/44/19/514424419.db2.gz LRWOPIYREKXXLG-CYBMUJFWSA-N 1 0 374.445 2.535 20 5 FFBDRO C[C@@H]1CC2(CN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)CC[NH2+]CC2 ZINC000424289061 514447352 /nfs/dbraw/zinc/44/73/52/514447352.db2.gz LILVSDDWBHNEGZ-GFCCVEGCSA-N 1 0 366.849 2.651 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C[C@H]1C ZINC000449971134 514447631 /nfs/dbraw/zinc/44/76/31/514447631.db2.gz JSYSWFMKGGLGER-GDBMZVCRSA-N 1 0 371.441 2.725 20 5 FFBDRO Cn1cc(CN2C[C@@H]([NH3+])Cc3ccccc32)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000415132524 514459980 /nfs/dbraw/zinc/45/99/80/514459980.db2.gz CJPGNZKUXINXLJ-KRWDZBQOSA-N 1 0 363.421 2.885 20 5 FFBDRO C[NH+](C)C1(CNc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)CCC1 ZINC000445595721 514496568 /nfs/dbraw/zinc/49/65/68/514496568.db2.gz GXQGASPHHFNUCN-UHFFFAOYSA-N 1 0 356.426 2.887 20 5 FFBDRO CCC[NH+](CCC)CCCc1nc(-c2c([N+](=O)[O-])nc(C)n2C)no1 ZINC000445609179 514498045 /nfs/dbraw/zinc/49/80/45/514498045.db2.gz GYFCCQJHTSUFAO-UHFFFAOYSA-N 1 0 350.423 2.741 20 5 FFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCN(CCCO)C1 ZINC000453268547 514582688 /nfs/dbraw/zinc/58/26/88/514582688.db2.gz QEEUNAIVJKPLDU-HZPDHXFCSA-N 1 0 367.515 2.902 20 5 FFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCCN1CCO ZINC000453270270 514584073 /nfs/dbraw/zinc/58/40/73/514584073.db2.gz SDXSJQQYCZXBKK-CVEARBPZSA-N 1 0 367.515 2.902 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]Cc2ncnn2-c2ccccc2)n1 ZINC000479464495 514593915 /nfs/dbraw/zinc/59/39/15/514593915.db2.gz OVNHKZJNAAUDKO-JKSUJKDBSA-N 1 0 367.413 2.646 20 5 FFBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000458170212 514598285 /nfs/dbraw/zinc/59/82/85/514598285.db2.gz OSADLJCULZOPRN-NSHDSACASA-N 1 0 370.247 2.819 20 5 FFBDRO COc1c(C(=O)N(CC[NH+](C)C)Cc2ccsc2)cccc1[N+](=O)[O-] ZINC000458216376 514636085 /nfs/dbraw/zinc/63/60/85/514636085.db2.gz FVQZZCJNYLETMT-UHFFFAOYSA-N 1 0 363.439 2.869 20 5 FFBDRO CCN(C)C(=O)C[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000479580546 514640182 /nfs/dbraw/zinc/64/01/82/514640182.db2.gz GGFIETMDVBCXSV-UHFFFAOYSA-N 1 0 356.426 2.931 20 5 FFBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000466557843 514690647 /nfs/dbraw/zinc/69/06/47/514690647.db2.gz YOPRYVOXVJZJPB-RDTXWAMCSA-N 1 0 360.458 2.699 20 5 FFBDRO Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC000508169253 514692809 /nfs/dbraw/zinc/69/28/09/514692809.db2.gz OZAXUCLGNKMQLZ-UHFFFAOYSA-N 1 0 372.473 2.949 20 5 FFBDRO CC[NH+](CC)CCO[C@H]1CCN(c2cc(OC)c([N+](=O)[O-])cc2F)C1 ZINC000508280278 514729126 /nfs/dbraw/zinc/72/91/26/514729126.db2.gz OYEPELBBJGBFDH-ZDUSSCGKSA-N 1 0 355.410 2.680 20 5 FFBDRO CCCN(CCN1CC[NH+](CC)CC1)c1cc(C)c([N+](=O)[O-])cc1F ZINC000461862513 514758626 /nfs/dbraw/zinc/75/86/26/514758626.db2.gz AUIJIDBBBFZQEQ-UHFFFAOYSA-N 1 0 352.454 2.896 20 5 FFBDRO CNc1nc(C(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000455861284 514789823 /nfs/dbraw/zinc/78/98/23/514789823.db2.gz NEVCSFJSYXZBOY-AWEZNQCLSA-N 1 0 371.441 2.672 20 5 FFBDRO Cc1cc(N2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000461937930 514796989 /nfs/dbraw/zinc/79/69/89/514796989.db2.gz WFKPXBHKUOHDFM-AWEZNQCLSA-N 1 0 350.438 2.647 20 5 FFBDRO Cc1cc(N2CCC[N@@H+]([C@@H](C)CO)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461943066 514798266 /nfs/dbraw/zinc/79/82/66/514798266.db2.gz WCSJEBFMSCOKSV-LBPRGKRZSA-N 1 0 361.364 2.815 20 5 FFBDRO CNc1nc(C(=O)NCC2CC[NH+](CCC(C)C)CC2)ccc1[N+](=O)[O-] ZINC000455899935 514820464 /nfs/dbraw/zinc/82/04/64/514820464.db2.gz ODTBOPHKXPYWMN-UHFFFAOYSA-N 1 0 363.462 2.519 20 5 FFBDRO C[C@H](O)C[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)[C@H](C)C1 ZINC000480202535 514877457 /nfs/dbraw/zinc/87/74/57/514877457.db2.gz YKWMZEATXDKHEY-KGLIPLIRSA-N 1 0 351.447 2.663 20 5 FFBDRO COc1c(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000476060503 514903593 /nfs/dbraw/zinc/90/35/93/514903593.db2.gz FCLDASRVJYXQIC-INIZCTEOSA-N 1 0 369.421 2.998 20 5 FFBDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000489717054 514948955 /nfs/dbraw/zinc/94/89/55/514948955.db2.gz PTGWMEJLEIHEGJ-AWEZNQCLSA-N 1 0 363.414 2.564 20 5 FFBDRO COC[C@@H]1CCCC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000467321793 514978114 /nfs/dbraw/zinc/97/81/14/514978114.db2.gz PMYNXCCUMJALGZ-CQSZACIVSA-N 1 0 363.414 2.641 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000509023705 514992760 /nfs/dbraw/zinc/99/27/60/514992760.db2.gz XTDOKKOXQHJMOT-SSKCKEOISA-N 1 0 355.385 2.557 20 5 FFBDRO CCN(C(=O)c1cc([N+](=O)[O-])nn1C)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000476381875 515028614 /nfs/dbraw/zinc/02/86/14/515028614.db2.gz YEYXDRGEKZQOAK-GDBMZVCRSA-N 1 0 371.441 2.626 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N3CC[N@H+](C)CC[C@@H]3C)cc2[N+](=O)[O-])CC1 ZINC000498740262 515048525 /nfs/dbraw/zinc/04/85/25/515048525.db2.gz WXHLWHJWPBBRID-INIZCTEOSA-N 1 0 374.485 2.997 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCC[NH+](C(C)C)C(C)C ZINC000467795965 515123968 /nfs/dbraw/zinc/12/39/68/515123968.db2.gz DXPUYFKDDUQITC-UHFFFAOYSA-N 1 0 357.476 2.690 20 5 FFBDRO CC[NH+](CC)[C@H](C)CNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000472106768 515126955 /nfs/dbraw/zinc/12/69/55/515126955.db2.gz VKKSIPYKPRDFQQ-GFCCVEGCSA-N 1 0 356.854 2.820 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)c1C ZINC000480955171 515149474 /nfs/dbraw/zinc/14/94/74/515149474.db2.gz MWRKGNSOXHYCQD-CQSZACIVSA-N 1 0 369.487 2.610 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCCC[NH+](C(C)C)C(C)C)c1C ZINC000481006848 515171251 /nfs/dbraw/zinc/17/12/51/515171251.db2.gz PVCCLKAQXYJKLO-UHFFFAOYSA-N 1 0 371.503 2.999 20 5 FFBDRO Cc1ccc(C)c(S(=O)(=O)NC[C@H](C)C[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000481050965 515188081 /nfs/dbraw/zinc/18/80/81/515188081.db2.gz BIKZGVKNFRALDR-ZDUSSCGKSA-N 1 0 369.487 2.612 20 5 FFBDRO C[NH+](C)CCN(C(=O)Cn1c2ccccc2c(=O)c2ccccc21)C1CC1 ZINC000476822219 515208476 /nfs/dbraw/zinc/20/84/76/515208476.db2.gz NEPCEDZDVSDJEY-UHFFFAOYSA-N 1 0 363.461 2.707 20 5 FFBDRO COC(=O)C1CC[NH+](CCCNc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000509559926 515232586 /nfs/dbraw/zinc/23/25/86/515232586.db2.gz WDDNUPVTHKRERA-UHFFFAOYSA-N 1 0 355.822 2.935 20 5 FFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000462780258 515239509 /nfs/dbraw/zinc/23/95/09/515239509.db2.gz VTPXUPRDQHPBBD-QAPCUYQASA-N 1 0 365.499 2.717 20 5 FFBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000462780254 515240064 /nfs/dbraw/zinc/24/00/64/515240064.db2.gz VTPXUPRDQHPBBD-MAUKXSAKSA-N 1 0 365.499 2.717 20 5 FFBDRO CC1CC[NH+](CCCNC(=O)N(C)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000476953285 515263575 /nfs/dbraw/zinc/26/35/75/515263575.db2.gz QGZOGPPAKPGLNG-UHFFFAOYSA-N 1 0 362.474 2.901 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000462881815 515279533 /nfs/dbraw/zinc/27/95/33/515279533.db2.gz AUZGGVFWUASVJR-DDTOSNHZSA-N 1 0 367.833 2.520 20 5 FFBDRO CCC[C@@H]1CN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC[N@@H+]1CCOC ZINC000499426758 515318148 /nfs/dbraw/zinc/31/81/48/515318148.db2.gz FQGURXSFCAQXRW-OAHLLOKOSA-N 1 0 374.441 2.649 20 5 FFBDRO CC[C@@H](CNC(=O)c1c(N)cccc1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000499541462 515364788 /nfs/dbraw/zinc/36/47/88/515364788.db2.gz QRDROVBVLGWZJX-INIZCTEOSA-N 1 0 368.437 2.744 20 5 FFBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000468483329 515380144 /nfs/dbraw/zinc/38/01/44/515380144.db2.gz JWKGTNNGYXWMLT-KRWDZBQOSA-N 1 0 371.441 2.631 20 5 FFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCN1CCOC[C@@H]1C ZINC000504899779 515404479 /nfs/dbraw/zinc/40/44/79/515404479.db2.gz MBBCHCKISMSOAI-GJZGRUSLSA-N 1 0 353.488 2.776 20 5 FFBDRO CNc1nc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)ccc1[N+](=O)[O-] ZINC000454352202 515423226 /nfs/dbraw/zinc/42/32/26/515423226.db2.gz RKHAAOUFOFEQDL-UHFFFAOYSA-N 1 0 369.425 2.557 20 5 FFBDRO CCCNC(=O)CN1CCC([NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000468632876 515447359 /nfs/dbraw/zinc/44/73/59/515447359.db2.gz VKVFKRFHRJOIEK-VBKFSLOCSA-N 1 0 374.485 2.578 20 5 FFBDRO CCOc1cc(N2CCN(CC[NH+]3CCCCC3)CC2)ccc1[N+](=O)[O-] ZINC000481770370 515460208 /nfs/dbraw/zinc/46/02/08/515460208.db2.gz SRCFMDMHOUPELE-UHFFFAOYSA-N 1 0 362.474 2.601 20 5 FFBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000477459198 515465339 /nfs/dbraw/zinc/46/53/39/515465339.db2.gz YHOSLLIJBBAAMO-MCIONIFRSA-N 1 0 351.422 2.759 20 5 FFBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000468695375 515475098 /nfs/dbraw/zinc/47/50/98/515475098.db2.gz SFIGHURGNOPWPS-DZGCQCFKSA-N 1 0 354.410 2.742 20 5 FFBDRO C[C@@H]1C[C@H](CCNC(=O)c2cc([N+](=O)[O-])c[nH]2)C[N@@H+]1Cc1ccccc1 ZINC000510231775 515476518 /nfs/dbraw/zinc/47/65/18/515476518.db2.gz ZIGDTZGKQLKOPV-ZBFHGGJFSA-N 1 0 356.426 2.953 20 5 FFBDRO C[C@@H]1C[C@H](CCNC(=O)c2ccc([N+](=O)[O-])[nH]2)C[N@@H+]1Cc1ccccc1 ZINC000510259445 515487269 /nfs/dbraw/zinc/48/72/69/515487269.db2.gz QAZRFSQXWSLLOY-ZBFHGGJFSA-N 1 0 356.426 2.953 20 5 FFBDRO COc1cc(C[NH2+]CC2(CO)CCCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000473064859 515495290 /nfs/dbraw/zinc/49/52/90/515495290.db2.gz DJDPHHPYKXGWOK-UHFFFAOYSA-N 1 0 374.384 2.890 20 5 FFBDRO Cc1noc(C2(C)CCN(CC(=O)Nc3cc([N+](=O)[O-])ccc3C)CC2)n1 ZINC000510421517 515536341 /nfs/dbraw/zinc/53/63/41/515536341.db2.gz WTGYFMFOVOUWQD-UHFFFAOYSA-N 1 0 373.413 2.587 20 5 FFBDRO CS(=O)(=O)c1ccc(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])s1 ZINC000468827710 515538852 /nfs/dbraw/zinc/53/88/52/515538852.db2.gz DOJMQGFGTPNRCE-GQCTYLIASA-N 1 0 352.437 2.863 20 5 FFBDRO CCOc1cc(C[N@@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)ccc1[N+](=O)[O-] ZINC000492565955 515544892 /nfs/dbraw/zinc/54/48/92/515544892.db2.gz XZEQYQMWRNMFOJ-MRXNPFEDSA-N 1 0 361.442 2.732 20 5 FFBDRO C[N@H+](CCNC(=O)CCNc1ccccc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000482044221 515555881 /nfs/dbraw/zinc/55/58/81/515555881.db2.gz ZRYSLOZGYDZCGX-UHFFFAOYSA-N 1 0 374.416 2.784 20 5 FFBDRO C[NH+](C)CCOC1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000482050912 515558175 /nfs/dbraw/zinc/55/81/75/515558175.db2.gz QKDWBOFWHCYXHQ-UHFFFAOYSA-N 1 0 370.837 2.823 20 5 FFBDRO COc1cc(C[NH2+][C@H](C)c2ccc3c(c2)NC(=O)CO3)ccc1[N+](=O)[O-] ZINC000492727980 515560581 /nfs/dbraw/zinc/56/05/81/515560581.db2.gz MCXNXESOVVBRKJ-LLVKDONJSA-N 1 0 357.366 2.785 20 5 FFBDRO C[C@@H]([NH2+]Cc1ccc([C@]2(C)NC(=O)NC2=O)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000482073732 515566831 /nfs/dbraw/zinc/56/68/31/515566831.db2.gz GNZYDGPAIGQGET-BLVKFPJESA-N 1 0 368.393 2.500 20 5 FFBDRO O=C(CC[NH+]1CCN(c2ccccc2)CC1)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000473349630 515584529 /nfs/dbraw/zinc/58/45/29/515584529.db2.gz KXLXDEDQAYLBRH-UHFFFAOYSA-N 1 0 372.400 2.885 20 5 FFBDRO CC1CCC([NH+]2CCN(C(=O)CN(C)c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000463712289 515590294 /nfs/dbraw/zinc/59/02/94/515590294.db2.gz VBPZHBGCOABDHH-UHFFFAOYSA-N 1 0 374.485 2.754 20 5 FFBDRO O=C(CCCN1CCN(c2ncccc2[N+](=O)[O-])CC1)c1ccccc1 ZINC000459500531 515597861 /nfs/dbraw/zinc/59/78/61/515597861.db2.gz CGKQQKGAPQCDDJ-UHFFFAOYSA-N 1 0 354.410 2.775 20 5 FFBDRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000454612319 515609405 /nfs/dbraw/zinc/60/94/05/515609405.db2.gz SBFFSROQUSZAHV-WBVHZDCISA-N 1 0 372.469 2.968 20 5 FFBDRO CC1(C)CCC[N@@H+]1CCNC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000457063555 515617930 /nfs/dbraw/zinc/61/79/30/515617930.db2.gz WCUMLLIHYFGTPV-UHFFFAOYSA-N 1 0 372.425 2.512 20 5 FFBDRO C[NH+](C)CCN(C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CC1 ZINC000505658469 515625545 /nfs/dbraw/zinc/62/55/45/515625545.db2.gz IVLSDZLNDFXYPW-UHFFFAOYSA-N 1 0 360.439 2.885 20 5 FFBDRO Cc1c(Br)cc(C(=O)N(CC[NH+](C)C)C2CC2)cc1[N+](=O)[O-] ZINC000505682942 515632741 /nfs/dbraw/zinc/63/27/41/515632741.db2.gz ULURQSYQKRZLJE-UHFFFAOYSA-N 1 0 370.247 2.832 20 5 FFBDRO COc1cc(C[NH2+][C@@H]2CCO[C@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000493763614 515662334 /nfs/dbraw/zinc/66/23/34/515662334.db2.gz IJUXXWBMPHHFRF-ZYHUDNBSSA-N 1 0 360.357 2.904 20 5 FFBDRO C[NH+](C)CCOc1cccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)c1 ZINC000500314417 515664339 /nfs/dbraw/zinc/66/43/39/515664339.db2.gz GOJFQLMNZVDTCR-UHFFFAOYSA-N 1 0 359.382 2.553 20 5 FFBDRO C[C@@H]([NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1)C(=O)NCCF ZINC000500428128 515707107 /nfs/dbraw/zinc/70/71/07/515707107.db2.gz KEERZTJZCKMGSC-CQSZACIVSA-N 1 0 374.416 2.927 20 5 FFBDRO C[C@H](C[NH+]1CCCCCC1)NC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000482649309 515753442 /nfs/dbraw/zinc/75/34/42/515753442.db2.gz GZTVKWGESHNAKN-OAHLLOKOSA-N 1 0 363.462 2.570 20 5 FFBDRO CN1C(=O)C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])[C@H]1c1ccc(F)c(F)c1 ZINC000494221736 515774936 /nfs/dbraw/zinc/77/49/36/515774936.db2.gz ZWLWKMUGWBWXDK-CRAIPNDOSA-N 1 0 361.348 2.935 20 5 FFBDRO C[C@H](CNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])[NH+](C)C ZINC000494244586 515782098 /nfs/dbraw/zinc/78/20/98/515782098.db2.gz KACKDYLQDNUNMI-CQSZACIVSA-N 1 0 357.410 2.854 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC000511124724 515794444 /nfs/dbraw/zinc/79/44/44/515794444.db2.gz LTDUJBQQKDPEOL-GJZGRUSLSA-N 1 0 369.487 2.568 20 5 FFBDRO O=C(CC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)Nc1cccnc1 ZINC000478381739 515800756 /nfs/dbraw/zinc/80/07/56/515800756.db2.gz WBGKCTHBYQJRKU-UHFFFAOYSA-N 1 0 370.409 2.862 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000478404208 515809037 /nfs/dbraw/zinc/80/90/37/515809037.db2.gz GOSORZVPOWAILW-UHFFFAOYSA-N 1 0 364.446 2.525 20 5 FFBDRO C[NH+](C)C1CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1 ZINC000511160862 515810219 /nfs/dbraw/zinc/81/02/19/515810219.db2.gz WAPZOKDKKMBAFB-UHFFFAOYSA-N 1 0 363.461 2.707 20 5 FFBDRO CCC(CC)[C@@H](CNS(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)[NH+](C)C ZINC000473946867 515813785 /nfs/dbraw/zinc/81/37/85/515813785.db2.gz UUUBAJWCIFZXRZ-CYBMUJFWSA-N 1 0 363.505 2.609 20 5 FFBDRO CCC(CC)[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1)[NH+](C)C ZINC000473950947 515815929 /nfs/dbraw/zinc/81/59/29/515815929.db2.gz NAHSFGJWAZRFQD-INIZCTEOSA-N 1 0 357.476 2.548 20 5 FFBDRO CCc1ccc(C(=O)N2CCN(c3cc[nH+]cc3OC)CC2)cc1[N+](=O)[O-] ZINC000478439284 515822242 /nfs/dbraw/zinc/82/22/42/515822242.db2.gz QBKVNVLAMOPBAJ-UHFFFAOYSA-N 1 0 370.409 2.523 20 5 FFBDRO C[C@H](CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)[N@@H+]1CCCC[C@H]1C ZINC000478591620 515884311 /nfs/dbraw/zinc/88/43/11/515884311.db2.gz ONRVRCBUKKZGNW-HUUCEWRRSA-N 1 0 371.441 2.773 20 5 FFBDRO C[C@H](CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)[N@@H+]1CCCC[C@@H]1C ZINC000478591621 515884790 /nfs/dbraw/zinc/88/47/90/515884790.db2.gz ONRVRCBUKKZGNW-LSDHHAIUSA-N 1 0 371.441 2.773 20 5 FFBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(C)CCC[N@@H+](C)CCN(C)C ZINC000494851353 515984948 /nfs/dbraw/zinc/98/49/48/515984948.db2.gz PXBZCYIIAZCFGN-UHFFFAOYSA-N 1 0 370.881 2.512 20 5 FFBDRO CCSCC[C@H](C)[N@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000464855149 515990181 /nfs/dbraw/zinc/99/01/81/515990181.db2.gz WWZDMXQGJKOUAQ-NSHDSACASA-N 1 0 369.443 2.726 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+][C@H]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000474344558 516001075 /nfs/dbraw/zinc/00/10/75/516001075.db2.gz BKDCMQKMASHGEL-KRWDZBQOSA-N 1 0 370.405 2.794 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2CCc3c2cccc3O)cc1[N+](=O)[O-] ZINC000474349645 516004434 /nfs/dbraw/zinc/00/44/34/516004434.db2.gz XJWHWWLYRVPMDW-OAHLLOKOSA-N 1 0 372.377 2.629 20 5 FFBDRO CC[NH+](CC)C[C@@H](C)NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000487856043 516008165 /nfs/dbraw/zinc/00/81/65/516008165.db2.gz MJUZPQGNVMYIHJ-GFCCVEGCSA-N 1 0 356.854 2.820 20 5 FFBDRO CC(C)c1ccc(C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000470106796 516121836 /nfs/dbraw/zinc/12/18/36/516121836.db2.gz VYFDZSPCLWNXIX-OAHLLOKOSA-N 1 0 363.458 2.949 20 5 FFBDRO CC[N@@H+]1CCC[C@H](CNC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000512043144 516127141 /nfs/dbraw/zinc/12/71/41/516127141.db2.gz XEIBEGVECRJMBI-QWHCGFSZSA-N 1 0 369.849 2.864 20 5 FFBDRO CC[NH+](CC)CCOc1ccccc1NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000483574811 516137295 /nfs/dbraw/zinc/13/72/95/516137295.db2.gz GKUWXRGTHJKLSR-UHFFFAOYSA-N 1 0 360.414 2.906 20 5 FFBDRO CC(C)[C@@H]1CCC[C@H]([NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000474706879 516164400 /nfs/dbraw/zinc/16/44/00/516164400.db2.gz ILDRQNGZHDOSMS-CABCVRRESA-N 1 0 369.487 2.678 20 5 FFBDRO C[N@H+](CCNC(=O)NCCc1ccccc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000470353844 516216115 /nfs/dbraw/zinc/21/61/15/516216115.db2.gz JOXJAPWNKXRGGJ-UHFFFAOYSA-N 1 0 374.416 2.708 20 5 FFBDRO Cn1c(C(=O)NCc2ccccc2C[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000496520225 516266558 /nfs/dbraw/zinc/26/65/58/516266558.db2.gz OUIFGMLJMSAHSE-UHFFFAOYSA-N 1 0 356.426 2.849 20 5 FFBDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000461040159 516310061 /nfs/dbraw/zinc/31/00/61/516310061.db2.gz CLKQURZDWUIURX-NEPJUHHUSA-N 1 0 357.838 2.860 20 5 FFBDRO CCC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1C[C@H](OCC)C1(C)C ZINC000535583767 516412306 /nfs/dbraw/zinc/41/23/06/516412306.db2.gz WEBKUOHWMGCBRD-CVEARBPZSA-N 1 0 351.447 2.672 20 5 FFBDRO C[C@@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccc2n[nH]cc2c1 ZINC000513178664 516504811 /nfs/dbraw/zinc/50/48/11/516504811.db2.gz PWXWLSJYDQLIBO-GFCCVEGCSA-N 1 0 365.393 2.711 20 5 FFBDRO COc1ccc(C2([NH2+]CC(=O)Nc3ccc([N+](=O)[O-])cc3OC)CC2)cc1 ZINC000540362352 516527369 /nfs/dbraw/zinc/52/73/69/516527369.db2.gz KJEHQLYPAOYFPN-UHFFFAOYSA-N 1 0 371.393 2.829 20 5 FFBDRO C[NH+](C)C[C@@H](NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)c1ccc(F)cc1 ZINC000554655971 516571478 /nfs/dbraw/zinc/57/14/78/516571478.db2.gz SSOLVJLNTWXLFL-MRXNPFEDSA-N 1 0 371.372 2.643 20 5 FFBDRO CC[C@H]([NH2+][C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)C1CCOCC1 ZINC000540522727 516599036 /nfs/dbraw/zinc/59/90/36/516599036.db2.gz WIFMGWGMUHSFBM-DOMZBBRYSA-N 1 0 365.430 2.725 20 5 FFBDRO COC(=O)[C@H]1CCCC[C@]1(C)[NH2+]CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000540574895 516626168 /nfs/dbraw/zinc/62/61/68/516626168.db2.gz LIPMJYHHWLRJOF-KDOFPFPSSA-N 1 0 366.414 2.694 20 5 FFBDRO C[NH+](C)[C@H](CNC(=O)NCCc1cccc([N+](=O)[O-])c1)c1ccsc1 ZINC000536100394 516628941 /nfs/dbraw/zinc/62/89/41/516628941.db2.gz XTFJOORYOURFPH-MRXNPFEDSA-N 1 0 362.455 2.801 20 5 FFBDRO C[C@@H]1CN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC[N@@H+](C2CCC2)C1 ZINC000561534333 516637023 /nfs/dbraw/zinc/63/70/23/516637023.db2.gz KLYMOTJFNDUFSS-LBPRGKRZSA-N 1 0 367.396 2.748 20 5 FFBDRO C[C@H](C(=O)NCc1ccc(F)cc1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000554849182 516661641 /nfs/dbraw/zinc/66/16/41/516661641.db2.gz WOSVXKXRKNJTMX-CQSZACIVSA-N 1 0 359.401 2.913 20 5 FFBDRO CCNC(=O)C[C@H]1CCCC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000551424831 516704220 /nfs/dbraw/zinc/70/42/20/516704220.db2.gz PGNMJRXIAKMSCK-OAHLLOKOSA-N 1 0 373.413 2.526 20 5 FFBDRO COc1cc(C[NH2+][C@@](C)(CO)C(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000554976419 516729687 /nfs/dbraw/zinc/72/96/87/516729687.db2.gz UZDSQYMXXFTKHU-INIZCTEOSA-N 1 0 362.373 2.744 20 5 FFBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1 ZINC000561746995 516744799 /nfs/dbraw/zinc/74/47/99/516744799.db2.gz QTPOWGAQKYPWDL-TXPKVOOTSA-N 1 0 374.485 2.976 20 5 FFBDRO NC(=O)[C@H]1CCC[N@@H+]1CCCNc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000548116693 516774017 /nfs/dbraw/zinc/77/40/17/516774017.db2.gz TZKIGTSUBSMVJP-GFCCVEGCSA-N 1 0 361.229 2.653 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000518833755 516791627 /nfs/dbraw/zinc/79/16/27/516791627.db2.gz RCRMYMIPRFFEBW-UBHSHLNASA-N 1 0 367.833 2.759 20 5 FFBDRO CC(C)([NH2+]CCN1C(=O)c2ccccc2C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000514154712 516883610 /nfs/dbraw/zinc/88/36/10/516883610.db2.gz XENYJFJNGRSNBA-UHFFFAOYSA-N 1 0 353.378 2.716 20 5 FFBDRO CC[NH+](CC)[C@H](CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-])CC(C)C ZINC000544714057 516890277 /nfs/dbraw/zinc/89/02/77/516890277.db2.gz YXNVLHPICQBACD-INIZCTEOSA-N 1 0 371.503 2.771 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1C[C@H](OCC)[C@@]12CCCO2 ZINC000544710946 516890461 /nfs/dbraw/zinc/89/04/61/516890461.db2.gz WIVNCUBVAKOTDB-FGTMMUONSA-N 1 0 350.415 2.810 20 5 FFBDRO CC[C@@H](C)C[C@H](CC)[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000536827549 516946839 /nfs/dbraw/zinc/94/68/39/516946839.db2.gz PEILCDGNFXJAIL-KGLIPLIRSA-N 1 0 357.476 2.678 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCC(=O)N(C)[C@H]1c1ccnn1C ZINC000551935162 516969440 /nfs/dbraw/zinc/96/94/40/516969440.db2.gz MAJYEUANLWLJIZ-URKNILKWSA-N 1 0 371.441 2.649 20 5 FFBDRO COc1ccc(C2([NH2+]C[C@H](O)COc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000541326170 516990980 /nfs/dbraw/zinc/99/09/80/516990980.db2.gz RNIBDDFFDWKNFY-HNNXBMFYSA-N 1 0 358.394 2.622 20 5 FFBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)C1 ZINC000519512550 517018788 /nfs/dbraw/zinc/01/87/88/517018788.db2.gz WASDLXFSMVWUSB-KBPBESRZSA-N 1 0 351.472 2.922 20 5 FFBDRO CC[C@H]([NH3+])CNC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000519605966 517075685 /nfs/dbraw/zinc/07/56/85/517075685.db2.gz XRCAIEAFBXIWMS-QMMMGPOBSA-N 1 0 372.212 2.554 20 5 FFBDRO C[C@@H]([NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C1(S(C)(=O)=O)CC1 ZINC000552099803 517078008 /nfs/dbraw/zinc/07/80/08/517078008.db2.gz UNKCUPFJCCZPBM-ABAIWWIYSA-N 1 0 352.456 2.873 20 5 FFBDRO CS[C@@H]1CN(C(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)C[C@@H]1[NH+]1CCCC1 ZINC000562403372 517083258 /nfs/dbraw/zinc/08/32/58/517083258.db2.gz IASUYBDCAIMDSK-RRQGHBQHSA-N 1 0 363.483 2.737 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2nc(C[NH2+][C@H](C3CC3)[C@]3(CO)CCCO3)co2)cc1 ZINC000555759879 517108825 /nfs/dbraw/zinc/10/88/25/517108825.db2.gz VXKYZCDXYYBUOY-IEBWSBKVSA-N 1 0 373.409 2.660 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCC[C@H]2C[NH+]2CCCC2)c1 ZINC000537273125 517119404 /nfs/dbraw/zinc/11/94/04/517119404.db2.gz LSCAMCYIMSJKSM-INIZCTEOSA-N 1 0 361.442 2.759 20 5 FFBDRO COc1cccc(Cl)c1C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000514933374 517132215 /nfs/dbraw/zinc/13/22/15/517132215.db2.gz VJZXHBLKAWDZMS-ZDUSSCGKSA-N 1 0 366.801 2.786 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H](CC(C)C)C[NH+](C)C)c1 ZINC000537315948 517141189 /nfs/dbraw/zinc/14/11/89/517141189.db2.gz YHPWMTOUMWCDOD-HNNXBMFYSA-N 1 0 351.447 2.765 20 5 FFBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]CC1(N2CCOCC2)CC1 ZINC000515052983 517190163 /nfs/dbraw/zinc/19/01/63/517190163.db2.gz YJYFROUXVBLDSU-FUHWJXTLSA-N 1 0 359.470 2.760 20 5 FFBDRO CC(C)[C@@H](CNc1ccc([N+](=O)[O-])cc1OC(F)F)[NH+]1CCN(C)CC1 ZINC000545484732 517262140 /nfs/dbraw/zinc/26/21/40/517262140.db2.gz LKJHGIMAYZZKKW-OAHLLOKOSA-N 1 0 372.416 2.880 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])c(N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)n1 ZINC000541935029 517299194 /nfs/dbraw/zinc/29/91/94/517299194.db2.gz HKEODWNFEOMPIZ-MSOLQXFVSA-N 1 0 370.453 2.902 20 5 FFBDRO Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000520309546 517339010 /nfs/dbraw/zinc/33/90/10/517339010.db2.gz OXKZCGUFGUJEGH-UHFFFAOYSA-N 1 0 374.466 2.777 20 5 FFBDRO Cc1cc(C(=O)N(C)CCC[N@H+](C)Cc2ccncc2)cc([N+](=O)[O-])c1 ZINC000520384214 517370813 /nfs/dbraw/zinc/37/08/13/517370813.db2.gz TXKOGDYFSNSTGP-UHFFFAOYSA-N 1 0 356.426 2.892 20 5 FFBDRO CCOc1cccc(N2CC[C@H](OCC[NH+](CC)CC)C2)c1[N+](=O)[O-] ZINC000545871516 517405271 /nfs/dbraw/zinc/40/52/71/517405271.db2.gz CVBALUPMONYVQV-HNNXBMFYSA-N 1 0 351.447 2.931 20 5 FFBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H](S(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000537984516 517425153 /nfs/dbraw/zinc/42/51/53/517425153.db2.gz XRQAKEZRYUZVEX-QEJZJMRPSA-N 1 0 370.471 3.000 20 5 FFBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H](S(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000537984513 517425373 /nfs/dbraw/zinc/42/53/73/517425373.db2.gz XRQAKEZRYUZVEX-AEGPPILISA-N 1 0 370.471 3.000 20 5 FFBDRO CCC[C@H](C)[C@@H](CC)[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000552898761 517435137 /nfs/dbraw/zinc/43/51/37/517435137.db2.gz CMBFJFDUHZQHPM-XJKSGUPXSA-N 1 0 357.476 2.678 20 5 FFBDRO COc1cccc(CNC(=O)[C@H](C)[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000549171976 517437588 /nfs/dbraw/zinc/43/75/88/517437588.db2.gz PZSUUECKNMKOLD-HNNXBMFYSA-N 1 0 371.437 2.783 20 5 FFBDRO C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000546007880 517486324 /nfs/dbraw/zinc/48/63/24/517486324.db2.gz KZNXFJIPOREVGP-CQSZACIVSA-N 1 0 367.405 2.802 20 5 FFBDRO COc1cc(C[NH2+]CCN2CCC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000533563226 517527178 /nfs/dbraw/zinc/52/71/78/517527178.db2.gz CBRDWZLCQVHVBT-UHFFFAOYSA-N 1 0 371.437 2.978 20 5 FFBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)NC[C@@H]2Cc3ccccc3O2)cc1[N+](=O)[O-] ZINC000538277296 517536977 /nfs/dbraw/zinc/53/69/77/517536977.db2.gz PQLHSQGRKYQRBZ-PBHICJAKSA-N 1 0 369.421 2.674 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]4C3)cc2[N+](=O)[O-])C1 ZINC000556705686 517586941 /nfs/dbraw/zinc/58/69/41/517586941.db2.gz JWYJIKLEAYTFBU-DJIMGWMZSA-N 1 0 372.469 2.513 20 5 FFBDRO C[N@@H+]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1Cc1ccccc1 ZINC000560168819 517616254 /nfs/dbraw/zinc/61/62/54/517616254.db2.gz VMWOKDHIRZGLCQ-KRWDZBQOSA-N 1 0 365.437 2.830 20 5 FFBDRO C[N@@H+]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H]1Cc1ccccc1 ZINC000560168820 517617095 /nfs/dbraw/zinc/61/70/95/517617095.db2.gz VMWOKDHIRZGLCQ-QGZVFWFLSA-N 1 0 365.437 2.830 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCCCC[NH+]2CCC(C)CC2)n1 ZINC000553278369 517620008 /nfs/dbraw/zinc/62/00/08/517620008.db2.gz QJFLEVCMXFNZTA-UHFFFAOYSA-N 1 0 350.419 2.700 20 5 FFBDRO C[NH2+]CCSCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000563081197 517644187 /nfs/dbraw/zinc/64/41/87/517644187.db2.gz NVNISLDTSHPECD-UHFFFAOYSA-N 1 0 352.441 2.609 20 5 FFBDRO CC(C)C[C@H](Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)NCC[NH+](C)C ZINC000533910781 517664917 /nfs/dbraw/zinc/66/49/17/517664917.db2.gz NFAZZYFKWJOPLF-HNNXBMFYSA-N 1 0 356.854 2.753 20 5 FFBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)CCC[N@H+](C)Cc1ccco1 ZINC000556882773 517726483 /nfs/dbraw/zinc/72/64/83/517726483.db2.gz CRSGCBJLHLNRHD-HNNXBMFYSA-N 1 0 374.441 2.969 20 5 FFBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000538709846 517739588 /nfs/dbraw/zinc/73/95/88/517739588.db2.gz XCCNTKKZBXZYOZ-ZDUSSCGKSA-N 1 0 368.865 2.820 20 5 FFBDRO CCCCO[C@@H]1C[C@H]([N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)C1(C)C ZINC000534178486 517773369 /nfs/dbraw/zinc/77/33/69/517773369.db2.gz VBGXZRHKKNXPOD-JKSUJKDBSA-N 1 0 351.447 2.672 20 5 FFBDRO CCN(CC[NH+]1CCCCCC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000553547834 517773725 /nfs/dbraw/zinc/77/37/25/517773725.db2.gz NZNSCACRSYTXMR-UHFFFAOYSA-N 1 0 369.487 2.790 20 5 FFBDRO CCN(CC[NH+]1CCCCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000553552286 517778805 /nfs/dbraw/zinc/77/88/05/517778805.db2.gz ZWLCQOUTNXZCKU-UHFFFAOYSA-N 1 0 369.487 2.790 20 5 FFBDRO C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000546660698 517783753 /nfs/dbraw/zinc/78/37/53/517783753.db2.gz RYHSQVODHMVJTL-CQSZACIVSA-N 1 0 367.405 2.802 20 5 FFBDRO CC(C)C[C@H](CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)[NH+](C)C ZINC000542903314 517805949 /nfs/dbraw/zinc/80/59/49/517805949.db2.gz XFVBRGZAYHJKKI-GFCCVEGCSA-N 1 0 359.373 2.902 20 5 FFBDRO CC(C)[NH+]1CCN(c2cccc(NC(=O)c3ccc([N+](=O)[O-])cn3)c2)CC1 ZINC000534335425 517856644 /nfs/dbraw/zinc/85/66/44/517856644.db2.gz OXNRTYHCFGYKQR-UHFFFAOYSA-N 1 0 369.425 2.773 20 5 FFBDRO COc1cc(C[N@@H+]2CCC[C@]2(C)CO)c([N+](=O)[O-])cc1OCC(F)F ZINC000546811345 517869674 /nfs/dbraw/zinc/86/96/74/517869674.db2.gz LKCVSVMYSVXXAN-MRXNPFEDSA-N 1 0 360.357 2.594 20 5 FFBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@@H](C)C1 ZINC000553783337 517902088 /nfs/dbraw/zinc/90/20/88/517902088.db2.gz OZMWPIGUTHHVIB-IQUTYRLHSA-N 1 0 370.453 2.807 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000557331406 517960922 /nfs/dbraw/zinc/96/09/22/517960922.db2.gz WCSPHHGKIUKBIN-FUHWJXTLSA-N 1 0 360.458 2.838 20 5 FFBDRO Cn1c(C(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)ccc1[N+](=O)[O-] ZINC000560768729 518014614 /nfs/dbraw/zinc/01/46/14/518014614.db2.gz MACZYZKRFKYZBS-FQEVSTJZSA-N 1 0 368.437 2.672 20 5 FFBDRO CCN(CC)C(=O)CCC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000563679637 518062052 /nfs/dbraw/zinc/06/20/52/518062052.db2.gz QELLIDLRPADICT-HUUCEWRRSA-N 1 0 351.451 2.513 20 5 FFBDRO COc1cc(C[NH2+]CCc2cnc(C3CC3)nc2)c([N+](=O)[O-])cc1OC ZINC000539520286 518087491 /nfs/dbraw/zinc/08/74/91/518087491.db2.gz DWWYHHNEXHVPTM-UHFFFAOYSA-N 1 0 358.398 2.612 20 5 FFBDRO COC(=O)C[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000543460418 518104823 /nfs/dbraw/zinc/10/48/23/518104823.db2.gz LYFYTNZSSTXAJN-HNNXBMFYSA-N 1 0 363.414 2.635 20 5 FFBDRO CC(C)n1cc([C@@H](C)[NH2+]CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cn1 ZINC000543502302 518119715 /nfs/dbraw/zinc/11/97/15/518119715.db2.gz QMONLGJXQHVYQM-CYBMUJFWSA-N 1 0 357.414 2.612 20 5 FFBDRO Cc1nn(CCC(=O)NCCC[N@@H+](C)C2CCCCC2)c(C)c1[N+](=O)[O-] ZINC000522532575 518122912 /nfs/dbraw/zinc/12/29/12/518122912.db2.gz CYEHFTXTRKUVLB-UHFFFAOYSA-N 1 0 365.478 2.569 20 5 FFBDRO COC1CC[NH+](C(C)(C)CNC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000517418985 518145066 /nfs/dbraw/zinc/14/50/66/518145066.db2.gz WMBQNRBCRKARBJ-UHFFFAOYSA-N 1 0 364.446 2.914 20 5 FFBDRO C[NH+](C)CCSCC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000535255794 518170781 /nfs/dbraw/zinc/17/07/81/518170781.db2.gz VHQVDGBFHPOJEH-UHFFFAOYSA-N 1 0 362.249 2.591 20 5 FFBDRO COc1cc(C(=O)Nc2ccccc2C[NH+](C)C)cc([N+](=O)[O-])c1OC ZINC000581342408 518237454 /nfs/dbraw/zinc/23/74/54/518237454.db2.gz OARQPPNQDMBLAJ-UHFFFAOYSA-N 1 0 359.382 2.926 20 5 FFBDRO C[C@]1(NC(=O)CNc2ccccc2[N+](=O)[O-])CC[N@H+](Cc2ccccc2)C1 ZINC000581436304 518284433 /nfs/dbraw/zinc/28/44/33/518284433.db2.gz YGGDNNYVJSARLX-FQEVSTJZSA-N 1 0 368.437 2.788 20 5 FFBDRO O=C(NCC[NH2+]C1CCCCCC1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000567031376 518319029 /nfs/dbraw/zinc/31/90/29/518319029.db2.gz JZAWKTIZRSHVIO-UHFFFAOYSA-N 1 0 360.458 2.975 20 5 FFBDRO Cc1ccc(NC(=O)CCN2CCOc3ccc([N+](=O)[O-])cc3C2)nc1 ZINC000567087756 518344362 /nfs/dbraw/zinc/34/43/62/518344362.db2.gz DRYOTJUQFYCMHH-UHFFFAOYSA-N 1 0 356.382 2.521 20 5 FFBDRO CC[NH+]1CCC(CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000572794058 518363198 /nfs/dbraw/zinc/36/31/98/518363198.db2.gz QZFDZKZAUBUCNY-UHFFFAOYSA-N 1 0 370.247 2.819 20 5 FFBDRO CCC[N@H+](CC)C[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000581718863 518423724 /nfs/dbraw/zinc/42/37/24/518423724.db2.gz JKYJYOGFFOFIRB-NSHDSACASA-N 1 0 363.867 2.647 20 5 FFBDRO COc1ccc(C[NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)c(OC)n1 ZINC000564427858 518448298 /nfs/dbraw/zinc/44/82/98/518448298.db2.gz OYRBDZGLLXJKAB-GFCCVEGCSA-N 1 0 374.397 2.514 20 5 FFBDRO COc1cccc(C(=O)NCC[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000581893814 518491072 /nfs/dbraw/zinc/49/10/72/518491072.db2.gz BAUFQFJQIXUNJB-QGZVFWFLSA-N 1 0 355.394 2.610 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CCc1cccc(Cl)c1 ZINC000573083714 518500026 /nfs/dbraw/zinc/50/00/26/518500026.db2.gz DOAGGLAOWOQGTF-HNNXBMFYSA-N 1 0 350.802 2.820 20 5 FFBDRO CC1=C[C@H](C)C[C@@H](C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000564579907 518511742 /nfs/dbraw/zinc/51/17/42/518511742.db2.gz WOKVOKJKHWFERN-DZGCQCFKSA-N 1 0 352.456 2.951 20 5 FFBDRO CN(C)[C@H](C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccsc1 ZINC000576293024 518521220 /nfs/dbraw/zinc/52/12/20/518521220.db2.gz FDGRWCWTADEZRI-MRXNPFEDSA-N 1 0 362.455 2.877 20 5 FFBDRO CC[C@H]1C[N@H+](C)CCN1Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000582177522 518624192 /nfs/dbraw/zinc/62/41/92/518624192.db2.gz FUMFJBGCFZRNNI-ZDUSSCGKSA-N 1 0 373.400 2.773 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2C[C@H]2c2c(F)cccc2F)c1 ZINC000564863687 518661835 /nfs/dbraw/zinc/66/18/35/518661835.db2.gz LNGWFZDPAHSZDH-SUYBPPKGSA-N 1 0 364.348 2.758 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)n1 ZINC000582478648 518773277 /nfs/dbraw/zinc/77/32/77/518773277.db2.gz XHOHTOFGTWYUAL-SJKOYZFVSA-N 1 0 350.419 2.699 20 5 FFBDRO O=[N+]([O-])c1cccc(CC[NH2+]C[C@H](O)COc2cccc3[nH]ccc32)c1 ZINC000582481871 518775156 /nfs/dbraw/zinc/77/51/56/518775156.db2.gz KHDJGBXPMVFYBH-INIZCTEOSA-N 1 0 355.394 2.648 20 5 FFBDRO CC[N@@H+]1CC[C@H]2OCCN(Cc3cc([N+](=O)[O-])ccc3OC(C)C)[C@H]2C1 ZINC000573737050 518812268 /nfs/dbraw/zinc/81/22/68/518812268.db2.gz ZYFGMCFITNJMJT-PKOBYXMFSA-N 1 0 363.458 2.677 20 5 FFBDRO C[C@H](C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000576915290 518823669 /nfs/dbraw/zinc/82/36/69/518823669.db2.gz LWRNHPQRALITKB-HZSPNIEDSA-N 1 0 358.442 2.996 20 5 FFBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C[N@H+](C)C(C)C ZINC000579781612 518846052 /nfs/dbraw/zinc/84/60/52/518846052.db2.gz SREZSLQPKKJFJO-ZDUSSCGKSA-N 1 0 369.487 2.792 20 5 FFBDRO O=C(c1ccncc1)N1CCC([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000570985032 518872093 /nfs/dbraw/zinc/87/20/93/518872093.db2.gz BOUDGOCTIDBBSG-GOSISDBHSA-N 1 0 366.421 2.872 20 5 FFBDRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3c(Cl)cccc3[N+](=O)[O-])[C@H]2C1 ZINC000588979413 518887573 /nfs/dbraw/zinc/88/75/73/518887573.db2.gz RSNAEOZNOMPZQB-DUVNUKRYSA-N 1 0 351.834 2.985 20 5 FFBDRO C[C@@H](C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000577042847 518887930 /nfs/dbraw/zinc/88/79/30/518887930.db2.gz CFGMNKFZYJHLBF-BEFAXECRSA-N 1 0 355.438 2.987 20 5 FFBDRO CC(C)(C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1Cl ZINC000565359312 518917641 /nfs/dbraw/zinc/91/76/41/518917641.db2.gz UAQVWEGVXIYKNM-CYBMUJFWSA-N 1 0 370.812 2.512 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000565389717 518928752 /nfs/dbraw/zinc/92/87/52/518928752.db2.gz ALIWVOPKTJMAON-XLIONFOSSA-N 1 0 368.437 2.877 20 5 FFBDRO C[C@H]1CC[C@H]([N@H+](CCO)CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000589261243 518966141 /nfs/dbraw/zinc/96/61/41/518966141.db2.gz IXUGASHZOAICMV-AAEUAGOBSA-N 1 0 355.822 2.670 20 5 FFBDRO CC(C)c1nnc2n1C[C@H]([NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)CC2 ZINC000580033226 518970037 /nfs/dbraw/zinc/97/00/37/518970037.db2.gz DVSJUFWYIFIFKB-ILXRZTDVSA-N 1 0 373.461 2.595 20 5 FFBDRO C[C@@H](CN[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F)C[NH+]1CCOCC1 ZINC000565485684 518980557 /nfs/dbraw/zinc/98/05/57/518980557.db2.gz FPUTXEYTELGRNG-WFASDCNBSA-N 1 0 361.364 2.756 20 5 FFBDRO O=C(CN1CCC([C@H]2CC[NH2+]C2)CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000580075541 518997086 /nfs/dbraw/zinc/99/70/86/518997086.db2.gz JOUMXQQKFLNSBP-ZDUSSCGKSA-N 1 0 366.849 2.508 20 5 FFBDRO CC(C)[N@@H+](C)C[C@H](C)Nc1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000574128387 518998223 /nfs/dbraw/zinc/99/82/23/518998223.db2.gz RFIJTMXFKGGKBD-HNNXBMFYSA-N 1 0 350.463 2.568 20 5 FFBDRO CC(=O)NCC[N@H+](Cc1ccc(C)c([N+](=O)[O-])c1)C1CCSCC1 ZINC000565552435 519014726 /nfs/dbraw/zinc/01/47/26/519014726.db2.gz SGJSVJYVVOATFW-UHFFFAOYSA-N 1 0 351.472 2.737 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]CCS(=O)(=O)c1ccccc1 ZINC000568385164 519014900 /nfs/dbraw/zinc/01/49/00/519014900.db2.gz PSBBFWPPRLFGKM-UHFFFAOYSA-N 1 0 368.842 2.854 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@@H](Cc3ccncc3)C2)c1 ZINC000589510571 519022126 /nfs/dbraw/zinc/02/21/26/519022126.db2.gz LAJLCVKIIFUIFP-HNNXBMFYSA-N 1 0 355.394 2.841 20 5 FFBDRO C[C@H](C(=O)Nc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1)c1cccc([N+](=O)[O-])c1 ZINC000577338971 519028290 /nfs/dbraw/zinc/02/82/90/519028290.db2.gz FKVNDYPICYXYEN-IFXJQAMLSA-N 1 0 369.421 2.904 20 5 FFBDRO Cc1cc(N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000590134936 519158469 /nfs/dbraw/zinc/15/84/69/519158469.db2.gz HLLVBLUIRYRNTL-CZUORRHYSA-N 1 0 373.375 2.957 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CC(c2ccccc2)c2ccccc2)c1 ZINC000577621812 519172888 /nfs/dbraw/zinc/17/28/88/519172888.db2.gz FDXKPPBLNOQIGV-LJQANCHMSA-N 1 0 366.421 2.574 20 5 FFBDRO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cn2)CC[N@H+](Cc2ccccc2)C1 ZINC000565935662 519204594 /nfs/dbraw/zinc/20/45/94/519204594.db2.gz BRPRZDBXPIZCLT-HNNXBMFYSA-N 1 0 354.410 2.584 20 5 FFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](C2CC2)C2(CO)CCOCC2)c(Cl)c1 ZINC000590378373 519210981 /nfs/dbraw/zinc/21/09/81/519210981.db2.gz GPYALAZFPICTBM-INIZCTEOSA-N 1 0 354.834 2.906 20 5 FFBDRO Cc1ccc(OC[C@H](O)C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)c(C)c1 ZINC000571672151 519213484 /nfs/dbraw/zinc/21/34/84/519213484.db2.gz SVWAWKWJOFIWSJ-OAHLLOKOSA-N 1 0 370.409 2.617 20 5 FFBDRO CC1(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)Cc2ccccc2C1 ZINC000574565268 519218198 /nfs/dbraw/zinc/21/81/98/519218198.db2.gz NXSQTGSIJQVGKL-UHFFFAOYSA-N 1 0 374.462 2.763 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C1CCN(c2ccccc2)CC1 ZINC000565972969 519222919 /nfs/dbraw/zinc/22/29/19/519222919.db2.gz PTJSOXIHFTYAMQ-GOSISDBHSA-N 1 0 371.437 2.593 20 5 FFBDRO COC1CCC(C)(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000577723298 519223538 /nfs/dbraw/zinc/22/35/38/519223538.db2.gz PPNCBBDSVSXMBT-SYJJWHGVSA-N 1 0 352.431 2.519 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N3CC[C@H]([NH3+])C[C@@H]3C)cc2[N+](=O)[O-])C1 ZINC000574615867 519243154 /nfs/dbraw/zinc/24/31/54/519243154.db2.gz CCRWVFPUHRYLQS-YCPHGPKFSA-N 1 0 360.458 2.783 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N3CC[C@@H]([NH3+])C[C@@H]3C)cc2[N+](=O)[O-])C1 ZINC000574615866 519243699 /nfs/dbraw/zinc/24/36/99/519243699.db2.gz CCRWVFPUHRYLQS-IJEWVQPXSA-N 1 0 360.458 2.783 20 5 FFBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([NH+](C)C)[C@H]1C ZINC000590567156 519269113 /nfs/dbraw/zinc/26/91/13/519269113.db2.gz YFDBZHQPSZFUAZ-YGRLFVJLSA-N 1 0 370.247 2.830 20 5 FFBDRO COc1ccc(NC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)cc1[N+](=O)[O-] ZINC000574702109 519290124 /nfs/dbraw/zinc/29/01/24/519290124.db2.gz SMEWLGQYUKOYDD-AWEZNQCLSA-N 1 0 365.455 2.759 20 5 FFBDRO CC(C)(CO)[NH+]1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CC1 ZINC000590689942 519317517 /nfs/dbraw/zinc/31/75/17/519317517.db2.gz ODGGGSZLIIMGGD-UHFFFAOYSA-N 1 0 362.455 2.611 20 5 FFBDRO C[C@@H]([NH3+])[C@H](C)NC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000566213938 519373544 /nfs/dbraw/zinc/37/35/44/519373544.db2.gz BOFBCRMZHJWNFI-SFYZADRCSA-N 1 0 372.212 2.553 20 5 FFBDRO C[C@@H]1CC(CC[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000580829238 519380769 /nfs/dbraw/zinc/38/07/69/519380769.db2.gz FRIIQUHYUXFBEB-CPUCHLNUSA-N 1 0 352.431 2.518 20 5 FFBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)CC[C@@H]1C ZINC000569147001 519400625 /nfs/dbraw/zinc/40/06/25/519400625.db2.gz SUKFUKWRWJXBED-JTQLQIEISA-N 1 0 370.247 2.832 20 5 FFBDRO CC[NH+]1CCN(CCCN[C@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)CC1 ZINC000566345469 519444956 /nfs/dbraw/zinc/44/49/56/519444956.db2.gz HCVIZKUOFNNFPA-MRXNPFEDSA-N 1 0 374.407 2.815 20 5 FFBDRO CCOCCC[N@@H+]1CC[C@@H](Nc2c([N+](=O)[O-])nc(C)n2CC)[C@@H](C)C1 ZINC000578159841 519450178 /nfs/dbraw/zinc/45/01/78/519450178.db2.gz ZHYLNGBDGGEDOG-DZGCQCFKSA-N 1 0 353.467 2.669 20 5 FFBDRO COc1ccc(C[N@H+](C)CCn2cc(Br)cn2)cc1[N+](=O)[O-] ZINC000566400577 519471932 /nfs/dbraw/zinc/47/19/32/519471932.db2.gz BBSDTUILWVNGAD-UHFFFAOYSA-N 1 0 369.219 2.694 20 5 FFBDRO Cn1ncc2c1CCC[C@@H]2[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000591019690 519479831 /nfs/dbraw/zinc/47/98/31/519479831.db2.gz VLYYUYFSSMNPQE-INIZCTEOSA-N 1 0 357.414 2.666 20 5 FFBDRO Cc1ccc(NCCCNC(=O)c2ccccc2CC[NH3+])c([N+](=O)[O-])c1 ZINC000575067737 519482462 /nfs/dbraw/zinc/48/24/62/519482462.db2.gz GLWKNAQFMYPQKB-UHFFFAOYSA-N 1 0 356.426 2.636 20 5 FFBDRO C[C@@H]1Oc2cc(F)ccc2[C@@H]1[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000578232776 519489174 /nfs/dbraw/zinc/48/91/74/519489174.db2.gz HVKNZYOEXODSFD-WHWRDJHUSA-N 1 0 362.357 2.585 20 5 FFBDRO CCc1ccc([C@@H]2C[NH2+]CCN2C(=O)c2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000569331603 519496689 /nfs/dbraw/zinc/49/66/89/519496689.db2.gz ABQLPCMIVJAVBH-SFHVURJKSA-N 1 0 369.421 2.953 20 5 FFBDRO COCC1(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000583990329 519536501 /nfs/dbraw/zinc/53/65/01/519536501.db2.gz UBLSTPVUBSPYAR-INIZCTEOSA-N 1 0 352.431 2.521 20 5 FFBDRO C[C@H]1CCC[N@H+](CCNC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000569444337 519552720 /nfs/dbraw/zinc/55/27/20/519552720.db2.gz IOKJFQDGQWCWCT-AWEZNQCLSA-N 1 0 373.457 2.650 20 5 FFBDRO COC(=O)CC1([NH2+]CCOc2ccc(OC)cc2[N+](=O)[O-])CCCCC1 ZINC000569521683 519591330 /nfs/dbraw/zinc/59/13/30/519591330.db2.gz GTGLHGKGJJPHSI-UHFFFAOYSA-N 1 0 366.414 2.838 20 5 FFBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000591356111 519607316 /nfs/dbraw/zinc/60/73/16/519607316.db2.gz NULWUQBYEFSACG-DLBZAZTESA-N 1 0 360.458 2.559 20 5 FFBDRO CC[N@H+]1[C@H](C)CN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000602874564 519941438 /nfs/dbraw/zinc/94/14/38/519941438.db2.gz QCQUJTLYVHSJSX-XQQFMLRXSA-N 1 0 368.865 2.990 20 5 FFBDRO Cc1c(NC(=O)[C@@H](C)N2CC[N@H+](C)[C@@H](C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000602875312 519942753 /nfs/dbraw/zinc/94/27/53/519942753.db2.gz ZMKYUMDBCXYBKV-RHSMWYFYSA-N 1 0 362.474 2.892 20 5 FFBDRO O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594419218 519953226 /nfs/dbraw/zinc/95/32/26/519953226.db2.gz PIKLCMFPNBITGP-IRXDYDNUSA-N 1 0 359.426 2.691 20 5 FFBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000599929139 519955244 /nfs/dbraw/zinc/95/52/44/519955244.db2.gz XLWWUTUTOMEWPF-RBUKOAKNSA-N 1 0 367.449 2.941 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](C)c1c(C)noc1C ZINC000612461631 519973931 /nfs/dbraw/zinc/97/39/31/519973931.db2.gz LTTKCGTZMTWLMR-SNVBAGLBSA-N 1 0 362.386 2.888 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](CCO)c1ccc(Cl)c(F)c1 ZINC000602924885 519976584 /nfs/dbraw/zinc/97/65/84/519976584.db2.gz JVJGEXVYWHZVLR-CQSZACIVSA-N 1 0 356.785 2.606 20 5 FFBDRO CCC(C)(C)[NH+]1CCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C)CC1 ZINC000594472699 519982142 /nfs/dbraw/zinc/98/21/42/519982142.db2.gz KTTQIKHXLGZDLB-UHFFFAOYSA-N 1 0 358.446 2.701 20 5 FFBDRO C[N@@H+]1CCC[C@H](CCNC(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000600008540 519999240 /nfs/dbraw/zinc/99/92/40/519999240.db2.gz OFACJJAHHKRLMY-LLVKDONJSA-N 1 0 370.247 2.819 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCc2cccc(-c3ccccc3)c2)c1 ZINC000591754326 520023215 /nfs/dbraw/zinc/02/32/15/520023215.db2.gz KFOMVZFZENJXFY-HXUWFJFHSA-N 1 0 366.421 2.652 20 5 FFBDRO CC[C@@H](C[NH+]1CCCC1)Nc1ccc([N+](=O)[O-])c(N2CCOCC2)c1F ZINC000594556933 520026039 /nfs/dbraw/zinc/02/60/39/520026039.db2.gz WTDCARXZLVUKTD-AWEZNQCLSA-N 1 0 366.437 2.857 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CCc1ccc2[nH]ccc2c1 ZINC000591765333 520027565 /nfs/dbraw/zinc/02/75/65/520027565.db2.gz RCYBOVGTCCDKPC-MRXNPFEDSA-N 1 0 355.394 2.648 20 5 FFBDRO COc1cccc([N+](=O)[O-])c1N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000594569891 520032939 /nfs/dbraw/zinc/03/29/39/520032939.db2.gz LDTPCNJMCPBNQK-UHFFFAOYSA-N 1 0 362.474 2.598 20 5 FFBDRO CCC(C)(C)[NH+]1CCN(Cc2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000594610823 520054819 /nfs/dbraw/zinc/05/48/19/520054819.db2.gz DRWAMVJMZZCTOD-UHFFFAOYSA-N 1 0 351.447 2.918 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)n1 ZINC000591987504 520121928 /nfs/dbraw/zinc/12/19/28/520121928.db2.gz YLQGTZRYAVFUBT-CABCVRRESA-N 1 0 370.409 2.534 20 5 FFBDRO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2ccc(CC)c([N+](=O)[O-])c2)C1 ZINC000592039535 520148810 /nfs/dbraw/zinc/14/88/10/520148810.db2.gz YXQAEQGGGQLTPS-AWEZNQCLSA-N 1 0 369.487 2.510 20 5 FFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])n1cc(C[C@H]([NH3+])Cc2ccccc2)nn1 ZINC000603214333 520162419 /nfs/dbraw/zinc/16/24/19/520162419.db2.gz HXSPOTMRMSLPAR-GOEBONIOSA-N 1 0 351.410 2.908 20 5 FFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1nn(C)c2ccccc12 ZINC000612829222 520171184 /nfs/dbraw/zinc/17/11/84/520171184.db2.gz CTSYTYZISPUFAO-ZDUSSCGKSA-N 1 0 367.409 2.988 20 5 FFBDRO C[NH+](C)CC1CN(C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])C1 ZINC000597706463 520188585 /nfs/dbraw/zinc/18/85/85/520188585.db2.gz WJVMKMOBRRBOFQ-UHFFFAOYSA-N 1 0 369.421 2.807 20 5 FFBDRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CCCNc1ccc([N+](=O)[O-])cc1)C2 ZINC000597715539 520193743 /nfs/dbraw/zinc/19/37/43/520193743.db2.gz LSYVMCDNOBWZDZ-LJQANCHMSA-N 1 0 360.458 2.731 20 5 FFBDRO CCN(C)C(=O)CC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592130650 520206125 /nfs/dbraw/zinc/20/61/25/520206125.db2.gz HKMYQYGUAPRSKG-QAQDUYKDSA-N 1 0 363.458 2.569 20 5 FFBDRO Cc1cccc(C)c1C[N@H+](CC(C)C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000592138795 520215032 /nfs/dbraw/zinc/21/50/32/520215032.db2.gz CTDUHGIZVGJOKI-SFHVURJKSA-N 1 0 360.458 2.927 20 5 FFBDRO COc1cc(C[NH2+][C@H]2C[C@H](O)C23CCC3)c([N+](=O)[O-])cc1OC(F)F ZINC000594986879 520243762 /nfs/dbraw/zinc/24/37/62/520243762.db2.gz IRDVLHBOUMMFQE-KBPBESRZSA-N 1 0 358.341 2.598 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000600411279 520244035 /nfs/dbraw/zinc/24/40/35/520244035.db2.gz LBYAHHSNUMRXSM-UHFFFAOYSA-N 1 0 361.442 2.539 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCNC(=O)c1ccc(C)cc1 ZINC000595015774 520257129 /nfs/dbraw/zinc/25/71/29/520257129.db2.gz HASOUUOFLWDMQB-AWEZNQCLSA-N 1 0 357.410 2.992 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H]1CCCN(c2cc(C)nn2C)C1 ZINC000595048916 520269632 /nfs/dbraw/zinc/26/96/32/520269632.db2.gz SOAVRWJSEQQQME-CABCVRRESA-N 1 0 373.457 2.965 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](CO)[C@@H]1CCC[C@H](OC)C1 ZINC000595061411 520273877 /nfs/dbraw/zinc/27/38/77/520273877.db2.gz KTWDIADVLYUMQW-UICACZKSSA-N 1 0 352.431 2.820 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000600473989 520281690 /nfs/dbraw/zinc/28/16/90/520281690.db2.gz VZLYACFLVRAPIV-INIZCTEOSA-N 1 0 361.442 2.805 20 5 FFBDRO COc1ccc(N2C[C@@H]([NH2+][C@H]3CCc4c3cccc4[N+](=O)[O-])CC2=O)cc1 ZINC000595077983 520282735 /nfs/dbraw/zinc/28/27/35/520282735.db2.gz MHZNMWFPINFPJW-UGSOOPFHSA-N 1 0 367.405 2.986 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000597859850 520287238 /nfs/dbraw/zinc/28/72/38/520287238.db2.gz ZHVDPBYXTQVAIT-NSHDSACASA-N 1 0 357.357 2.799 20 5 FFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC1(O)CCC(F)(F)CC1 ZINC000595093856 520291187 /nfs/dbraw/zinc/29/11/87/520291187.db2.gz OTULDHURVNEIIG-GFCCVEGCSA-N 1 0 371.384 2.842 20 5 FFBDRO CCc1ccc(S(=O)(=O)N2CCC[C@@H](C)[C@H]2CCC[NH3+])cc1[N+](=O)[O-] ZINC000595117967 520302997 /nfs/dbraw/zinc/30/29/97/520302997.db2.gz JFGRNTPYZXHAQF-CZUORRHYSA-N 1 0 369.487 2.685 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000609509299 520337148 /nfs/dbraw/zinc/33/71/48/520337148.db2.gz NMUUMCBCYDROIU-SMDDNHRTSA-N 1 0 367.833 2.711 20 5 FFBDRO CC[C@H]1CN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[C@H]1[NH3+] ZINC000592332610 520339205 /nfs/dbraw/zinc/33/92/05/520339205.db2.gz NYMRGPDAOCYSMY-SMDDNHRTSA-N 1 0 360.439 2.918 20 5 FFBDRO CCN(C(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1)[C@H]1CC[N@H+](C)C1 ZINC000597943953 520342728 /nfs/dbraw/zinc/34/27/28/520342728.db2.gz BDTJCIOQKKMUDW-KRWDZBQOSA-N 1 0 374.485 2.997 20 5 FFBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000595222498 520358160 /nfs/dbraw/zinc/35/81/60/520358160.db2.gz KDCSNZTVKHLZQJ-KRWDZBQOSA-N 1 0 370.453 2.788 20 5 FFBDRO COc1cc(C(=O)N2CC[C@H](c3ccccc3)[C@H]([NH3+])C2)cc([N+](=O)[O-])c1C ZINC000595223149 520358483 /nfs/dbraw/zinc/35/84/83/520358483.db2.gz ZDUQPSPQLMTAGR-IAGOWNOFSA-N 1 0 369.421 2.869 20 5 FFBDRO Cc1cccc(C(=O)N2CC[C@H](c3cccc(F)c3)[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000595224337 520359863 /nfs/dbraw/zinc/35/98/63/520359863.db2.gz DCBKELVPQJSBLR-NVXWUHKLSA-N 1 0 357.385 2.999 20 5 FFBDRO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H]1SC ZINC000592399300 520368876 /nfs/dbraw/zinc/36/88/76/520368876.db2.gz GENFCTUOCURZCO-CYHLAULCSA-N 1 0 367.471 2.811 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)c1 ZINC000595256123 520375005 /nfs/dbraw/zinc/37/50/05/520375005.db2.gz BDHYSHWBSNEDOR-KRWDZBQOSA-N 1 0 357.366 2.517 20 5 FFBDRO [NH3+][C@@H]1CN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)CC[C@H]1F ZINC000595260694 520376028 /nfs/dbraw/zinc/37/60/28/520376028.db2.gz IYVGHXSHWOTASD-HZPDHXFCSA-N 1 0 372.400 2.718 20 5 FFBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000595262101 520378133 /nfs/dbraw/zinc/37/81/33/520378133.db2.gz KWSYLVFMRXUOQL-QZTJIDSGSA-N 1 0 368.437 2.582 20 5 FFBDRO Cc1ccc(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000595269776 520379964 /nfs/dbraw/zinc/37/99/64/520379964.db2.gz RTVJPEOBMDUZLY-IAGOWNOFSA-N 1 0 357.385 2.918 20 5 FFBDRO O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000595267043 520380459 /nfs/dbraw/zinc/38/04/59/520380459.db2.gz CQRXJGLHQVVZPG-IAGOWNOFSA-N 1 0 361.348 2.749 20 5 FFBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H](c2cccs2)N2CCOCC2)cc1 ZINC000609626432 520384486 /nfs/dbraw/zinc/38/44/86/520384486.db2.gz FFWRSEGQTWGGRM-KRWDZBQOSA-N 1 0 361.467 2.862 20 5 FFBDRO Cn1c(C(=O)Nc2ccc(OCC[NH+](C)C)c(Cl)c2)ccc1[N+](=O)[O-] ZINC000609738629 520417518 /nfs/dbraw/zinc/41/75/18/520417518.db2.gz XJRUYAQFWHASSM-UHFFFAOYSA-N 1 0 366.805 2.779 20 5 FFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cnn2c1[C@@H](C[NH3+])CCC2 ZINC000592501293 520422353 /nfs/dbraw/zinc/42/23/53/520422353.db2.gz IHGUVRYJQGLZFP-OAHLLOKOSA-N 1 0 371.441 2.678 20 5 FFBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000603983590 520422746 /nfs/dbraw/zinc/42/27/46/520422746.db2.gz ZJULWDFLJVDNPK-KBPBESRZSA-N 1 0 369.487 2.550 20 5 FFBDRO [NH3+]C[C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[C@@H]1C(F)(F)F ZINC000600726515 520425836 /nfs/dbraw/zinc/42/58/36/520425836.db2.gz LTBHPPCIMBTJON-KOLCDFICSA-N 1 0 358.320 2.695 20 5 FFBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000609766496 520426199 /nfs/dbraw/zinc/42/61/99/520426199.db2.gz XIWMMXWTHROFSC-GDBMZVCRSA-N 1 0 361.398 2.536 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000592571396 520459897 /nfs/dbraw/zinc/45/98/97/520459897.db2.gz ZDZHOZZKTWPUHX-XHDPSFHLSA-N 1 0 367.833 2.806 20 5 FFBDRO CCOc1cc(N2CC[NH+](C[C@H](OC)C3CCC3)CC2)ccc1[N+](=O)[O-] ZINC000595463638 520487285 /nfs/dbraw/zinc/48/72/85/520487285.db2.gz BICADOCOZFUCDD-IBGZPJMESA-N 1 0 363.458 2.931 20 5 FFBDRO O=C(CN1CCC([NH2+]Cc2ccccc2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000595510531 520521105 /nfs/dbraw/zinc/52/11/05/520521105.db2.gz LJBIHIVXNRLJMX-UHFFFAOYSA-N 1 0 368.437 2.788 20 5 FFBDRO NC(=O)CCN(Cc1ccc(F)cc1[N+](=O)[O-])[C@H]1CCOc2ccccc21 ZINC000595518611 520522932 /nfs/dbraw/zinc/52/29/32/520522932.db2.gz BWDKNKRMHSMMEU-INIZCTEOSA-N 1 0 373.384 2.935 20 5 FFBDRO CC(C)C[NH+]1CCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000610101362 520540739 /nfs/dbraw/zinc/54/07/39/520540739.db2.gz KGMHXPQFMRVPIG-UHFFFAOYSA-N 1 0 362.474 2.901 20 5 FFBDRO CN(CCCC[NH+](C)C)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000610115095 520547612 /nfs/dbraw/zinc/54/76/12/520547612.db2.gz POVYYMIIIDAGPZ-UHFFFAOYSA-N 1 0 362.474 2.611 20 5 FFBDRO O=[N+]([O-])c1cnc(NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c(Cl)c1 ZINC000610160527 520564453 /nfs/dbraw/zinc/56/44/53/520564453.db2.gz VGFSIGKVLNXNSB-QGZVFWFLSA-N 1 0 362.817 2.692 20 5 FFBDRO O=[N+]([O-])c1cnc(NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c(Cl)c1 ZINC000610160526 520565154 /nfs/dbraw/zinc/56/51/54/520565154.db2.gz VGFSIGKVLNXNSB-KRWDZBQOSA-N 1 0 362.817 2.692 20 5 FFBDRO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)c1ccc([N+](=O)[O-])[nH]1 ZINC000598396340 520595263 /nfs/dbraw/zinc/59/52/63/520595263.db2.gz LEKKECDINZWQAX-INIZCTEOSA-N 1 0 368.437 2.955 20 5 FFBDRO CC[NH+]1CCN(c2ccc(CNc3cc(OC)ccc3[N+](=O)[O-])cn2)CC1 ZINC000610273409 520616612 /nfs/dbraw/zinc/61/66/12/520616612.db2.gz MIZMMGBVLBKTAL-UHFFFAOYSA-N 1 0 371.441 2.752 20 5 FFBDRO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000601115786 520644371 /nfs/dbraw/zinc/64/43/71/520644371.db2.gz KNQVTKMJIAZQPY-NSHDSACASA-N 1 0 361.368 2.802 20 5 FFBDRO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000601125234 520649270 /nfs/dbraw/zinc/64/92/70/520649270.db2.gz YPHNCXDQWWCMGL-NSHDSACASA-N 1 0 361.368 2.515 20 5 FFBDRO COCCOc1ccc(C[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)cc1 ZINC000601150089 520662425 /nfs/dbraw/zinc/66/24/25/520662425.db2.gz UKSSJOHHPGVHAY-IBGZPJMESA-N 1 0 360.410 2.617 20 5 FFBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2COCC[C@H]2O)ccc1Oc1ccc(F)cc1 ZINC000601158733 520665929 /nfs/dbraw/zinc/66/59/29/520665929.db2.gz CQLMBZPMHNUBMY-NVXWUHKLSA-N 1 0 362.357 2.766 20 5 FFBDRO COc1cc(-c2ccc(OCCN3CC[NH+](C)CC3)cc2)cc([N+](=O)[O-])c1 ZINC000592986832 520673649 /nfs/dbraw/zinc/67/36/49/520673649.db2.gz LTKXCIQVVCMDLU-UHFFFAOYSA-N 1 0 371.437 2.897 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@](C)(CO)C2CCCCC2)c1 ZINC000593014351 520684136 /nfs/dbraw/zinc/68/41/36/520684136.db2.gz JBSUYIYZVWHWOD-GOSISDBHSA-N 1 0 350.415 2.802 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@]2(C)CCCC[C@H]2C(=O)OC)c1 ZINC000593019872 520687444 /nfs/dbraw/zinc/68/74/44/520687444.db2.gz RRWIVFLRUNGJQT-KSSFIOAISA-N 1 0 364.398 2.593 20 5 FFBDRO CC(C)c1ccc(C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000598540342 520690849 /nfs/dbraw/zinc/69/08/49/520690849.db2.gz OBLSZMSYCFCZLH-INIZCTEOSA-N 1 0 363.458 2.901 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000610478402 520706944 /nfs/dbraw/zinc/70/69/44/520706944.db2.gz VWHDMDILSPWJKI-UHFFFAOYSA-N 1 0 368.353 2.506 20 5 FFBDRO O=C(CCOc1ccccc1[N+](=O)[O-])NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000598563071 520708591 /nfs/dbraw/zinc/70/85/91/520708591.db2.gz ZYKIENNTZXUVKL-INIZCTEOSA-N 1 0 361.442 2.602 20 5 FFBDRO Cn1cc(C[C@H]2CCC[C@@H]2[NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)cn1 ZINC000595773410 520714492 /nfs/dbraw/zinc/71/44/92/520714492.db2.gz WSUMKQBMMGSGTG-QAPCUYQASA-N 1 0 371.441 2.658 20 5 FFBDRO CC[C@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)[C@@H](CC)CO1 ZINC000593058107 520714842 /nfs/dbraw/zinc/71/48/42/520714842.db2.gz JIBYWNBKBGRJBM-ZFWWWQNUSA-N 1 0 365.430 2.821 20 5 FFBDRO COC(=O)c1cc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)n2c1CCCC2 ZINC000598632950 520752924 /nfs/dbraw/zinc/75/29/24/520752924.db2.gz GKEVYWSUSPGWCE-UHFFFAOYSA-N 1 0 357.410 2.852 20 5 FFBDRO O=C(Cc1ccc(F)cc1[N+](=O)[O-])NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000593115093 520756265 /nfs/dbraw/zinc/75/62/65/520756265.db2.gz HNZADCXXGHKRJI-UHFFFAOYSA-N 1 0 372.400 2.704 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N3C[C@@H]4CCC[C@@]4([NH3+])C3)cc2[N+](=O)[O-])C1 ZINC000598666908 520774388 /nfs/dbraw/zinc/77/43/88/520774388.db2.gz BGSCTBOFHGASNG-PTSWNOGYSA-N 1 0 372.469 2.785 20 5 FFBDRO COc1ccccc1N1CC[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1=O ZINC000610682033 520794903 /nfs/dbraw/zinc/79/49/03/520794903.db2.gz DUFXNBPRYBOIBS-INIZCTEOSA-N 1 0 355.394 2.541 20 5 FFBDRO [NH3+]C[C@H]1CCc2ccccc2N1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000595902991 520809891 /nfs/dbraw/zinc/80/98/91/520809891.db2.gz LOUGTNPDODLVPR-CQSZACIVSA-N 1 0 374.828 2.967 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H]3C[NH2+]CC[C@@H]32)cc1SC ZINC000601557267 520839617 /nfs/dbraw/zinc/83/96/17/520839617.db2.gz NIEXLFQVMUVALA-AAEUAGOBSA-N 1 0 365.455 2.539 20 5 FFBDRO CC(C)(NC(=O)c1cc(C2CC[NH2+]CC2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000595968381 520841095 /nfs/dbraw/zinc/84/10/95/520841095.db2.gz YJCDWMZRVXXOIA-UHFFFAOYSA-N 1 0 358.398 2.715 20 5 FFBDRO C[C@@]1(NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)CC[NH2+]C1 ZINC000595991441 520847301 /nfs/dbraw/zinc/84/73/01/520847301.db2.gz JLSQTONXBAQODR-LJQANCHMSA-N 1 0 354.410 2.689 20 5 FFBDRO C[C@H](c1ccccc1)[C@@H](O)C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000596069564 520891841 /nfs/dbraw/zinc/89/18/41/520891841.db2.gz MNWOJZZLWAHUCZ-KDOFPFPSSA-N 1 0 357.410 2.678 20 5 FFBDRO C[C@H](c1ccccc1)[C@H](O)C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000596069566 520892480 /nfs/dbraw/zinc/89/24/80/520892480.db2.gz MNWOJZZLWAHUCZ-RDTXWAMCSA-N 1 0 357.410 2.678 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](OCC[NH+]3CCCCC3)C2)c1 ZINC000610886921 520893826 /nfs/dbraw/zinc/89/38/26/520893826.db2.gz HZWJUOWDZRAUPQ-INIZCTEOSA-N 1 0 361.442 2.620 20 5 FFBDRO O=[N+]([O-])c1cncc(Cl)c1N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000596097454 520909589 /nfs/dbraw/zinc/90/95/89/520909589.db2.gz OMUZSBXJSBESMD-UHFFFAOYSA-N 1 0 354.838 2.582 20 5 FFBDRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2C(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000598913262 520914354 /nfs/dbraw/zinc/91/43/54/520914354.db2.gz HAQFPKRDWUADOB-XFBWCDHKSA-N 1 0 366.393 2.627 20 5 FFBDRO Cc1c(NC(=O)N[C@]2(C)CC[NH2+]C2)cc(Br)cc1[N+](=O)[O-] ZINC000596127417 520929608 /nfs/dbraw/zinc/92/96/08/520929608.db2.gz ZGHUZBZDEBQNRN-CYBMUJFWSA-N 1 0 357.208 2.539 20 5 FFBDRO CC(C)c1ncc2c(n1)CC[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000598937682 520929921 /nfs/dbraw/zinc/92/99/21/520929921.db2.gz OYSGWVIZTNQFEJ-UHFFFAOYSA-N 1 0 369.425 2.895 20 5 FFBDRO NC(=O)c1cc(NC[C@H]2CCC[N@@H+]2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000596129517 520930374 /nfs/dbraw/zinc/93/03/74/520930374.db2.gz QRWALBJLUAMQPK-MRXNPFEDSA-N 1 0 354.410 2.770 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000610995344 520936062 /nfs/dbraw/zinc/93/60/62/520936062.db2.gz VMHXCINQZRTMNV-RDJZCZTQSA-N 1 0 372.469 2.790 20 5 FFBDRO Cc1cccc2c1C[C@H]([NH2+]Cc1cc3c(cc1[N+](=O)[O-])OCCO3)CO2 ZINC000598987204 520960845 /nfs/dbraw/zinc/96/08/45/520960845.db2.gz PQBFOIYIMGXACW-AWEZNQCLSA-N 1 0 356.378 2.768 20 5 FFBDRO C[NH+](C)[C@H]1CCOc2c(Nc3ccc([N+](=O)[O-])c(C(N)=O)c3)cccc21 ZINC000596214416 520976203 /nfs/dbraw/zinc/97/62/03/520976203.db2.gz GGXWMMCIXZKPCV-HNNXBMFYSA-N 1 0 356.382 2.823 20 5 FFBDRO C[C@@H]1CCC[C@](CNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])([NH+](C)C)C1 ZINC000593416936 520979688 /nfs/dbraw/zinc/97/96/88/520979688.db2.gz FJUOYKZMERVYLP-ACJLOTCBSA-N 1 0 351.422 2.903 20 5 FFBDRO CC(C)[C@@H](CNc1ccc2cnccc2c1[N+](=O)[O-])[NH+]1CCN(C)CC1 ZINC000599022442 520984968 /nfs/dbraw/zinc/98/49/68/520984968.db2.gz KUPIMGKBLUXJHM-GOSISDBHSA-N 1 0 357.458 2.827 20 5 FFBDRO COCC[NH+](CCOC)C1CCN(c2cc(C)sc2[N+](=O)[O-])CC1 ZINC000596229281 520985238 /nfs/dbraw/zinc/98/52/38/520985238.db2.gz IQOZPLSUEAWBDT-UHFFFAOYSA-N 1 0 357.476 2.528 20 5 FFBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000599021172 520986110 /nfs/dbraw/zinc/98/61/10/520986110.db2.gz SEPUVXNDGFCWTD-GOSISDBHSA-N 1 0 360.458 2.844 20 5 FFBDRO CC[NH+](CC)C[C@H](C)NC(=O)c1cccc(Cn2nc([N+](=O)[O-])cc2C)c1 ZINC000593467374 521013355 /nfs/dbraw/zinc/01/33/55/521013355.db2.gz POLQZUYHCIKULZ-AWEZNQCLSA-N 1 0 373.457 2.608 20 5 FFBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000611155711 521013899 /nfs/dbraw/zinc/01/38/99/521013899.db2.gz SBGKJVUJAPASHQ-UHFFFAOYSA-N 1 0 360.458 2.797 20 5 FFBDRO CC(C)C[NH2+]C1(CO)CCN(c2ccc3cnccc3c2[N+](=O)[O-])CC1 ZINC000599083436 521023546 /nfs/dbraw/zinc/02/35/46/521023546.db2.gz MBBPCERUFCGIJN-UHFFFAOYSA-N 1 0 358.442 2.720 20 5 FFBDRO O=[N+]([O-])c1cc2ccccc2nc1NCC1CC[NH+](C2CCOCC2)CC1 ZINC000596314972 521024276 /nfs/dbraw/zinc/02/42/76/521024276.db2.gz VKSPRQQRIGALDF-UHFFFAOYSA-N 1 0 370.453 2.868 20 5 FFBDRO COc1ccc(NC(=O)CNc2cccc(C[NH+](C)C)c2)c([N+](=O)[O-])c1 ZINC000601929699 521032349 /nfs/dbraw/zinc/03/23/49/521032349.db2.gz AKCYVXHOSLBHDC-UHFFFAOYSA-N 1 0 358.398 2.716 20 5 FFBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCCc2cccc(C[NH3+])c21 ZINC000599105475 521034532 /nfs/dbraw/zinc/03/45/32/521034532.db2.gz ZUFPXPGXISCGBB-UHFFFAOYSA-N 1 0 361.423 2.503 20 5 FFBDRO O=C1Nc2ccccc2[C@]12CC[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000614585337 521034967 /nfs/dbraw/zinc/03/49/67/521034967.db2.gz RHUSZTSJVXQFRW-HXUWFJFHSA-N 1 0 367.405 2.960 20 5 FFBDRO C[C@@H](CN(C)CCC[NH+](C)C)Nc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000596359615 521040288 /nfs/dbraw/zinc/04/02/88/521040288.db2.gz BLDDPRLEJVPXAW-NSHDSACASA-N 1 0 363.384 2.693 20 5 FFBDRO Cc1c(NC(=O)CC[N@@H+]2CCO[C@H](C(F)F)CC2)cccc1[N+](=O)[O-] ZINC000601971051 521048633 /nfs/dbraw/zinc/04/86/33/521048633.db2.gz ANPOJTBVVXRGSK-AWEZNQCLSA-N 1 0 357.357 2.588 20 5 FFBDRO CC1([NH+]2CCOCC2)CCN(c2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000599160274 521062840 /nfs/dbraw/zinc/06/28/40/521062840.db2.gz KYWGXRKQLOBVIF-UHFFFAOYSA-N 1 0 356.426 2.834 20 5 FFBDRO COC(=O)c1c(Cl)c(NCCN2C[C@@H](C)OC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000596432191 521069140 /nfs/dbraw/zinc/06/91/40/521069140.db2.gz RCXZTOLZEKICPO-WDEREUQCSA-N 1 0 371.821 2.556 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC[N@H+](C[C@@H]3CCCO3)CC2)cc1OC(F)F ZINC000611296514 521086932 /nfs/dbraw/zinc/08/69/32/521086932.db2.gz DWHMAXSQUOWSNV-AWEZNQCLSA-N 1 0 371.384 2.887 20 5 FFBDRO Cn1c2cc(N[C@@H]3CC[N@@H+](C4CCCCC4)C3)c([N+](=O)[O-])cc2n(C)c1=O ZINC000596481069 521092246 /nfs/dbraw/zinc/09/22/46/521092246.db2.gz WZDYOSHYNPPNAC-CYBMUJFWSA-N 1 0 373.457 2.604 20 5 FFBDRO O=c1[nH]cnc2cc(NC[C@@H]3CC[N@@H+]3Cc3ccccc3)c([N+](=O)[O-])cc21 ZINC000596553338 521128292 /nfs/dbraw/zinc/12/82/92/521128292.db2.gz QFRNDZUMPWHLOJ-AWEZNQCLSA-N 1 0 365.393 2.930 20 5 FFBDRO CS(=O)(=O)c1cc([N+](=O)[O-])c(NCC2CC[NH+](CC3CC3)CC2)s1 ZINC000596562746 521132596 /nfs/dbraw/zinc/13/25/96/521132596.db2.gz PXWDLHGSGDDUGN-UHFFFAOYSA-N 1 0 373.500 2.594 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000596627177 521173823 /nfs/dbraw/zinc/17/38/23/521173823.db2.gz VYYMSKBJYMHVNI-LBPRGKRZSA-N 1 0 350.419 2.845 20 5 FFBDRO CC[C@H]([NH2+][C@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000611475245 521176634 /nfs/dbraw/zinc/17/66/34/521176634.db2.gz GZMRNMUDLUNAJX-DQYPLSBCSA-N 1 0 357.414 2.563 20 5 FFBDRO CC(C)[NH2+][C@@H]1CCCN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000611524226 521201484 /nfs/dbraw/zinc/20/14/84/521201484.db2.gz HTJIWDBSQQOIMG-OAHLLOKOSA-N 1 0 368.865 2.963 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2nc(CN3CCC([NH+]4CCOCC4)CC3)co2)cc1 ZINC000599472425 521245241 /nfs/dbraw/zinc/24/52/41/521245241.db2.gz GIHBDWBVPDKPLS-UHFFFAOYSA-N 1 0 372.425 2.546 20 5 FFBDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599512064 521268105 /nfs/dbraw/zinc/26/81/05/521268105.db2.gz YEVZPAMDYKCQJU-NSHDSACASA-N 1 0 370.247 2.771 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000593920101 521291724 /nfs/dbraw/zinc/29/17/24/521291724.db2.gz XFQXCERPZOIPEQ-YXJHDRRASA-N 1 0 361.442 2.713 20 5 FFBDRO O=[N+]([O-])c1ccc2ncnc(NC3CC[NH+]([C@H]4CCCC[C@@H]4O)CC3)c2c1 ZINC000611712058 521293783 /nfs/dbraw/zinc/29/37/83/521293783.db2.gz UZNPUSDZKMDSJM-ROUUACIJSA-N 1 0 371.441 2.718 20 5 FFBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H](C)[C@@H]2CC[NH3+])cc1OC ZINC000593934959 521300762 /nfs/dbraw/zinc/30/07/62/521300762.db2.gz UVVCHOFUSNYDRM-JSGCOSHPSA-N 1 0 365.430 2.592 20 5 FFBDRO C[C@H]1CC[C@@H](NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C[NH2+]1 ZINC000599604366 521325923 /nfs/dbraw/zinc/32/59/23/521325923.db2.gz NGQGSFQLYRTZTL-WCBMZHEXSA-N 1 0 357.208 2.619 20 5 FFBDRO CC1(C)[C@@H](c2ccc(F)cc2)CC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000599623938 521340965 /nfs/dbraw/zinc/34/09/65/521340965.db2.gz XEPDZYWLHDQZSA-IAGOWNOFSA-N 1 0 362.405 2.559 20 5 FFBDRO CC(=O)NC[C@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602430596 521342816 /nfs/dbraw/zinc/34/28/16/521342816.db2.gz JLPQERBIWLYTCS-GFCCVEGCSA-N 1 0 359.348 2.962 20 5 FFBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3c(Br)cccc3[N+](=O)[O-])C[C@@H]21 ZINC000602485412 521372046 /nfs/dbraw/zinc/37/20/46/521372046.db2.gz PDORSTAACJTPKU-JFGNBEQYSA-N 1 0 368.231 2.557 20 5 FFBDRO O=C(NCc1ccc2c(c1)C[NH2+]C2)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000602486686 521375941 /nfs/dbraw/zinc/37/59/41/521375941.db2.gz GQPSQEWVRZJVER-UHFFFAOYSA-N 1 0 351.406 2.936 20 5 FFBDRO [NH3+][C@@H]1CN(C(=O)c2c(F)cccc2[N+](=O)[O-])CC[C@H]1c1ccc(F)cc1 ZINC000602507098 521384027 /nfs/dbraw/zinc/38/40/27/521384027.db2.gz AQOCDQBVOLZFQV-DZGCQCFKSA-N 1 0 361.348 2.830 20 5 FFBDRO O=C(Cc1cccc2c1CC[NH2+]C2)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000602516570 521390497 /nfs/dbraw/zinc/39/04/97/521390497.db2.gz NRTQDWNPOAIKTL-UHFFFAOYSA-N 1 0 365.433 2.974 20 5 FFBDRO O=C(N[C@H]1CC[NH2+]C12CCC2)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000602531817 521398540 /nfs/dbraw/zinc/39/85/40/521398540.db2.gz LDOHAKHKPLOQSL-AWEZNQCLSA-N 1 0 358.423 2.733 20 5 FFBDRO COc1ccc(CC[NH2+]CCc2ccc([N+](=O)[O-])cc2)c(OC)c1OC ZINC000602535411 521398968 /nfs/dbraw/zinc/39/89/68/521398968.db2.gz YOQBNSFTPPEFQV-UHFFFAOYSA-N 1 0 360.410 2.995 20 5 FFBDRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000594102628 521404938 /nfs/dbraw/zinc/40/49/38/521404938.db2.gz NGFLHYDMWGAMCF-VDISTLRHSA-N 1 0 360.439 2.788 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCCc3ccc(O)cc3)CC2)cn1 ZINC000602546933 521405785 /nfs/dbraw/zinc/40/57/85/521405785.db2.gz NFHBRRIYQWHMPO-UHFFFAOYSA-N 1 0 356.426 2.887 20 5 FFBDRO O=C1COc2ccccc2N1CCC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602558845 521412037 /nfs/dbraw/zinc/41/20/37/521412037.db2.gz FUDJEWHTUHASBH-UHFFFAOYSA-N 1 0 355.394 2.543 20 5 FFBDRO Cc1ccsc1[C@H](CO)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602563467 521413503 /nfs/dbraw/zinc/41/35/03/521413503.db2.gz LVSFSZJUYLMVAT-HNNXBMFYSA-N 1 0 362.455 2.652 20 5 FFBDRO COc1ccc([C@H]([NH2+]CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C2CC2)cn1 ZINC000599702706 521414853 /nfs/dbraw/zinc/41/48/53/521414853.db2.gz XTFBWJXAEZMTNM-LJQANCHMSA-N 1 0 370.409 2.986 20 5 FFBDRO O=[N+]([O-])c1ccc2oc(C[NH2+][C@H]3CCN(c4ncccc4F)C3)nc2c1 ZINC000602576514 521419400 /nfs/dbraw/zinc/41/94/00/521419400.db2.gz ONKVFADUFRMUDS-NSHDSACASA-N 1 0 357.345 2.639 20 5 FFBDRO COc1ccc(CSCC(=O)N2CCCCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000602577658 521419768 /nfs/dbraw/zinc/41/97/68/521419768.db2.gz IDKVRNNGXMTYTA-CQSZACIVSA-N 1 0 367.471 2.567 20 5 FFBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000602598377 521431242 /nfs/dbraw/zinc/43/12/42/521431242.db2.gz ICPJYHZCTPEETB-OTCDBFHCSA-N 1 0 356.220 2.605 20 5 FFBDRO CC1(C)CCC[C@](O)(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000602628059 521444102 /nfs/dbraw/zinc/44/41/02/521444102.db2.gz GZLFPDLPFMKUKO-LJQANCHMSA-N 1 0 362.474 2.880 20 5 FFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594198140 521464814 /nfs/dbraw/zinc/46/48/14/521464814.db2.gz SJRNZFFUGYKQCH-HZPDHXFCSA-N 1 0 351.834 2.924 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H]1c1ccc(O)cc1 ZINC000612094694 521477634 /nfs/dbraw/zinc/47/76/34/521477634.db2.gz RDOLKPSJLCNFGU-DLBZAZTESA-N 1 0 358.394 2.877 20 5 FFBDRO CC[C@@H]([NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)[C@H](O)C(F)F ZINC000602679918 521477691 /nfs/dbraw/zinc/47/76/91/521477691.db2.gz SURQNLPUUMPOAT-SFYZADRCSA-N 1 0 359.192 2.913 20 5 FFBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2CNc3ccnn3C2)cc(C(F)(F)F)c1 ZINC000619264494 521481285 /nfs/dbraw/zinc/48/12/85/521481285.db2.gz GYZLLIILTRDOAZ-LLVKDONJSA-N 1 0 355.320 2.642 20 5 FFBDRO C[NH+](C)[C@@H]1CCCN(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)CC1 ZINC000597095736 521501008 /nfs/dbraw/zinc/50/10/08/521501008.db2.gz GVCSSKGVYVPMCL-LLVKDONJSA-N 1 0 355.826 2.778 20 5 FFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3cccc4c3CCOC4)C2)nc1 ZINC000602794758 521535807 /nfs/dbraw/zinc/53/58/07/521535807.db2.gz OXVAXHNQCYHCSP-MRXNPFEDSA-N 1 0 354.410 2.749 20 5 FFBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594284289 521536211 /nfs/dbraw/zinc/53/62/11/521536211.db2.gz UXLCAVWDTNONJK-MSOLQXFVSA-N 1 0 360.458 2.796 20 5 FFBDRO COc1ccccc1COC1CC[NH+](CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602796956 521539019 /nfs/dbraw/zinc/53/90/19/521539019.db2.gz GRTTVEBPCFUYHE-UHFFFAOYSA-N 1 0 374.441 2.790 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CC[C@H](Cn4ccnn4)C3)cs2)c1 ZINC000597173170 521553554 /nfs/dbraw/zinc/55/35/54/521553554.db2.gz FQGSFOMVJGRBCX-ZDUSSCGKSA-N 1 0 370.438 2.832 20 5 FFBDRO CC(C)(CO)[NH+]1CCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC1 ZINC000619527256 521753035 /nfs/dbraw/zinc/75/30/35/521753035.db2.gz XKJIXLQPTKMZTL-UHFFFAOYSA-N 1 0 374.416 2.689 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCC[N@@H+]2CCCC(C)(C)C2)c1 ZINC000619584091 521783590 /nfs/dbraw/zinc/78/35/90/521783590.db2.gz YGHIJNKTNVANAX-UHFFFAOYSA-N 1 0 363.458 2.910 20 5 FFBDRO CNc1nccc(C(=O)NCc2cccc(C[N@H+](C)C(C)C)c2)c1[N+](=O)[O-] ZINC000515069672 561995167 /nfs/dbraw/zinc/99/51/67/561995167.db2.gz KPXDZDBVXUWOPO-UHFFFAOYSA-N 1 0 371.441 2.802 20 5 FFBDRO O=[N+]([O-])c1ccc(C[NH2+]CCSCc2ccccc2-c2nn[nH]n2)cc1 ZINC000738358251 598361266 /nfs/dbraw/zinc/36/12/66/598361266.db2.gz CYQYJIYCGNDGSK-UHFFFAOYSA-N 1 0 370.438 2.798 20 5 FFBDRO O=[N+]([O-])c1ccccc1C=CC[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC000823648371 599457805 /nfs/dbraw/zinc/45/78/05/599457805.db2.gz VUPJPTWLGGWSGJ-HWKANZROSA-N 1 0 354.345 2.717 20 5 FFBDRO COc1ccc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000826202361 607532851 /nfs/dbraw/zinc/53/28/51/607532851.db2.gz XYPPCLFTJRYRBL-NSHDSACASA-N 1 0 354.370 2.634 20 5 FFBDRO O=[N+]([O-])c1cc(NC[C@@H](c2ccco2)[NH+]2CCCC2)ccc1-c1nn[nH]n1 ZINC000823634755 606645350 /nfs/dbraw/zinc/64/53/50/606645350.db2.gz LRBGUNNQQUOEFK-HNNXBMFYSA-N 1 0 369.385 2.617 20 5 FFBDRO C[C@H]([NH2+]CCCOc1cccc(-c2nn[nH]n2)c1)c1cccc([N+](=O)[O-])c1 ZINC000824592240 608468460 /nfs/dbraw/zinc/46/84/60/608468460.db2.gz KSUTWTASVXRPKZ-ZDUSSCGKSA-N 1 0 368.397 2.895 20 5 FFBDRO Cc1ccnc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c1[N+](=O)[O-] ZINC001164899728 721520938 /nfs/dbraw/zinc/52/09/38/721520938.db2.gz LYRBLYQERJPRDH-RDJZCZTQSA-N 1 0 372.400 2.779 20 5 FFBDRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1nc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001164928949 721860805 /nfs/dbraw/zinc/86/08/05/721860805.db2.gz PEYLBJJEWOCVGD-NEPJUHHUSA-N 1 0 374.272 2.511 20 5 FFBDRO O=[N+]([O-])c1cccc2nc(N3CC[NH+](CCc4ccccn4)CC3)ccc21 ZINC001165053566 722012039 /nfs/dbraw/zinc/01/20/39/722012039.db2.gz JZZIAJNZERTRKQ-UHFFFAOYSA-N 1 0 363.421 2.903 20 5 FFBDRO Cc1ccc(N2CC[NH+](CCCOCC(F)(F)F)CC2)c([N+](=O)[O-])c1 ZINC000155939251 728838988 /nfs/dbraw/zinc/83/89/88/728838988.db2.gz ILVIQURNVLRFDS-UHFFFAOYSA-N 1 0 361.364 2.994 20 5 FFBDRO O=[N+]([O-])c1ccc(Cl)cc1CN1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000746671948 735503444 /nfs/dbraw/zinc/50/34/44/735503444.db2.gz CQITUZMFUPZIBT-INIZCTEOSA-N 1 0 353.850 2.935 20 5 FFBDRO CC[NH+](CC)CCN(CC(C)C)S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000119541792 728596149 /nfs/dbraw/zinc/59/61/49/728596149.db2.gz BVOBLHJTDZPELD-UHFFFAOYSA-N 1 0 363.505 2.645 20 5 FFBDRO C[NH+](C)CCC1CCN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000121636204 728633872 /nfs/dbraw/zinc/63/38/72/728633872.db2.gz RPZRWQCVSJLWTM-UHFFFAOYSA-N 1 0 368.865 2.850 20 5 FFBDRO CCO[C@H]1C[C@H](N(C)Cn2cc(Br)c([N+](=O)[O-])n2)C12CCC2 ZINC000127157509 728705604 /nfs/dbraw/zinc/70/56/04/728705604.db2.gz HTVZKNMNEJJILR-RYUDHWBXSA-N 1 0 373.251 2.791 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@@H]2CCC2CCCCC2)c1 ZINC000135297566 728737274 /nfs/dbraw/zinc/73/72/74/728737274.db2.gz GHNBWRONIIIFGP-AEFFLSMTSA-N 1 0 350.463 2.977 20 5 FFBDRO C[C@H]([NH2+]C(C)(C)c1cnn(C)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000754876841 736212360 /nfs/dbraw/zinc/21/23/60/736212360.db2.gz CVAHHXWNPRKVGJ-JTQLQIEISA-N 1 0 365.821 2.834 20 5 FFBDRO CCO[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000759172966 736552759 /nfs/dbraw/zinc/55/27/59/736552759.db2.gz KRRQKJDJVRBZFK-GXTWGEPZSA-N 1 0 359.220 2.641 20 5 FFBDRO O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1NCC[N@H+]1CC[C@H](O)C1 ZINC000858867791 730435274 /nfs/dbraw/zinc/43/52/74/730435274.db2.gz RXDOYWKVIULIMN-QMMMGPOBSA-N 1 0 353.728 2.746 20 5 FFBDRO COCC[N@@H+]1CCC[C@H]1COC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000861037624 730569604 /nfs/dbraw/zinc/56/96/04/730569604.db2.gz CLZJGAKXKUGHPD-AWEZNQCLSA-N 1 0 350.415 2.526 20 5 FFBDRO CO[C@@H]1C[N@H+](C)[C@](C)(COC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000861349840 730602882 /nfs/dbraw/zinc/60/28/82/730602882.db2.gz WDWIFXKPTKHWGM-KSSFIOAISA-N 1 0 350.415 2.984 20 5 FFBDRO O=C(c1cccc([N+](=O)[O-])c1Cl)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000861986277 730658892 /nfs/dbraw/zinc/65/88/92/730658892.db2.gz KXPAWFRKXGDDNA-UHFFFAOYSA-N 1 0 367.833 2.575 20 5 FFBDRO CC(C)C(=O)N1CCC([NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000866230461 731042673 /nfs/dbraw/zinc/04/26/73/731042673.db2.gz VIGBBTGEJFVJKM-CYBMUJFWSA-N 1 0 351.422 2.902 20 5 FFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1c(Br)cnn1C ZINC000866431878 731059650 /nfs/dbraw/zinc/05/96/50/731059650.db2.gz FGFBLTXYXGQCKC-VIFPVBQESA-N 1 0 371.210 2.951 20 5 FFBDRO O=C(CN1CCC[C@@H](c2cc[nH]n2)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000917174459 737744565 /nfs/dbraw/zinc/74/45/65/737744565.db2.gz SXQQIIDPTPRZDW-LLVKDONJSA-N 1 0 363.805 2.789 20 5 FFBDRO C[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)[C@@H]1O)c1c(F)cccc1[N+](=O)[O-] ZINC000872068225 731725956 /nfs/dbraw/zinc/72/59/56/731725956.db2.gz FODDWGUCBXQRIU-GDZNZVCISA-N 1 0 352.406 2.952 20 5 FFBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC000872071873 731726955 /nfs/dbraw/zinc/72/69/55/731726955.db2.gz YZYPXAFFRXTVCF-VXGBXAGGSA-N 1 0 358.485 2.792 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@]2(C(F)(F)F)CCCN2)n1 ZINC000925856713 738538249 /nfs/dbraw/zinc/53/82/49/738538249.db2.gz RTATWXSZGCGAHN-SCRDCRAPSA-N 1 0 361.368 2.549 20 5 FFBDRO C[C@H](Cc1cnccn1)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000876977183 732305986 /nfs/dbraw/zinc/30/59/86/732305986.db2.gz WKCJWCJNCFMFJJ-MRVPVSSYSA-N 1 0 357.233 2.930 20 5 FFBDRO O=C1O[C@@H](C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CN1C1CC1 ZINC000877621054 732399381 /nfs/dbraw/zinc/39/93/81/732399381.db2.gz MXZAJVBWVDDZQA-LBPRGKRZSA-N 1 0 359.304 2.686 20 5 FFBDRO C[C@H](CCc1ccsc1)[NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000877830838 732443758 /nfs/dbraw/zinc/44/37/58/732443758.db2.gz LYRXKBVXUGECGJ-CSMYWGQOSA-N 1 0 350.440 2.662 20 5 FFBDRO C[C@@H]1CN(Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)[C@@H](C)C[N@@H+]1C ZINC000878336203 732516251 /nfs/dbraw/zinc/51/62/51/732516251.db2.gz UXEIFBFBNYIOGV-MNOVXSKESA-N 1 0 365.821 2.823 20 5 FFBDRO CCON1CCC([NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000926850359 738661186 /nfs/dbraw/zinc/66/11/86/738661186.db2.gz QLEDCRRBNRIGBR-UHFFFAOYSA-N 1 0 358.236 2.863 20 5 FFBDRO CN(C)[C@H](CC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)C(F)(F)F ZINC000926964509 738675208 /nfs/dbraw/zinc/67/52/08/738675208.db2.gz RTEBACBLKFFBBR-RWMBFGLXSA-N 1 0 363.384 2.747 20 5 FFBDRO O=C(C[NH2+][C@@H](CO)C1CCCCC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000782086657 738687362 /nfs/dbraw/zinc/68/73/62/738687362.db2.gz XTAIAEAZZVKRBA-AWEZNQCLSA-N 1 0 355.822 2.718 20 5 FFBDRO O=[N+]([O-])c1ccc2nc(N3CCC[C@H]([NH2+]C4CCOCC4)C3)sc2c1 ZINC000882726299 733280717 /nfs/dbraw/zinc/28/07/17/733280717.db2.gz PYQHACNGWKYDLH-ZDUSSCGKSA-N 1 0 362.455 2.942 20 5 FFBDRO CCOc1ccc([C@H](C)[NH2+]CC[C@H]2CCCS2(=O)=O)cc1[N+](=O)[O-] ZINC000883306997 733365581 /nfs/dbraw/zinc/36/55/81/733365581.db2.gz JYPNGSGVNYGXML-GXTWGEPZSA-N 1 0 356.444 2.611 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H](O)C(F)(F)C(F)(F)F ZINC000883362696 733373714 /nfs/dbraw/zinc/37/37/14/733373714.db2.gz LJYVOQYGSNEMFN-WRWORJQWSA-N 1 0 358.263 2.813 20 5 FFBDRO COCC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C1CCCC1 ZINC000782482437 738726085 /nfs/dbraw/zinc/72/60/85/738726085.db2.gz WLNXZZCLFFEZJN-UHFFFAOYSA-N 1 0 353.394 2.954 20 5 FFBDRO O=C(CC[N@@H+]1CCC[C@@H]2COCC[C@@H]21)Nc1cc([N+](=O)[O-])ccc1F ZINC000782510394 738728771 /nfs/dbraw/zinc/72/87/71/738728771.db2.gz HTLDPQVDFXYEGH-WBMJQRKESA-N 1 0 351.378 2.563 20 5 FFBDRO CC1(C)CC[N@H+](CCNC(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000890068330 734261213 /nfs/dbraw/zinc/26/12/13/734261213.db2.gz NLQOPJMSOBILDJ-UHFFFAOYSA-N 1 0 370.247 2.819 20 5 FFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCCC[C@H]2N2CCOCC2)cc1Cl ZINC000783651276 738822630 /nfs/dbraw/zinc/82/26/30/738822630.db2.gz PRGDMKFMVILIQY-NVXWUHKLSA-N 1 0 353.850 2.981 20 5 FFBDRO C[C@]1(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[NH+]2CCC1CC2 ZINC000892776325 734602351 /nfs/dbraw/zinc/60/23/51/734602351.db2.gz CCEXFOOESCSMMV-HNNXBMFYSA-N 1 0 357.332 2.828 20 5 FFBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]CC2CSC2)c1 ZINC000895422151 735004547 /nfs/dbraw/zinc/00/45/47/735004547.db2.gz VHXCIURHFYBMBZ-UHFFFAOYSA-N 1 0 364.208 2.652 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000740886551 735095416 /nfs/dbraw/zinc/09/54/16/735095416.db2.gz UEZPBVNWESJBRW-JSGCOSHPSA-N 1 0 368.865 2.991 20 5 FFBDRO COc1c(O)ccc(C[NH2+]C[C@@H]2CC[C@@H](C(F)(F)F)O2)c1[N+](=O)[O-] ZINC000896280673 735131193 /nfs/dbraw/zinc/13/11/93/735131193.db2.gz QFODOQBWZVIMGF-ONGXEEELSA-N 1 0 350.293 2.509 20 5 FFBDRO C[C@H](C[NH2+]Cc1cnc(N2CCOCC2)s1)c1ccccc1[N+](=O)[O-] ZINC000897469734 735238552 /nfs/dbraw/zinc/23/85/52/735238552.db2.gz PMJGPMLSUPZMNS-CYBMUJFWSA-N 1 0 362.455 2.781 20 5 FFBDRO C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(F)c(Cl)c([N+](=O)[O-])c3Cl)[C@@H]2C1 ZINC000897826190 735280991 /nfs/dbraw/zinc/28/09/91/735280991.db2.gz VAUXOWMCXWLPML-OIBJUYFYSA-N 1 0 362.188 2.817 20 5 FFBDRO C[NH+]1CCC2(CCN2C(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000748326416 735635513 /nfs/dbraw/zinc/63/55/13/735635513.db2.gz SDXQJJJTFPWEKY-UHFFFAOYSA-N 1 0 368.231 2.668 20 5 FFBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCOC23CCOCC3)cc1[N+](=O)[O-] ZINC000903390600 736086277 /nfs/dbraw/zinc/08/62/77/736086277.db2.gz WWXCWLZHJFINJN-CXAGYDPISA-N 1 0 350.415 2.982 20 5 FFBDRO CCOc1ccc([C@@H](C)[NH2+][C@H]2CCOC23CCOCC3)cc1[N+](=O)[O-] ZINC000903390604 736086385 /nfs/dbraw/zinc/08/63/85/736086385.db2.gz WWXCWLZHJFINJN-DYVFJYSZSA-N 1 0 350.415 2.982 20 5 FFBDRO C[NH2+]CCN(C(C)C)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000903590149 736119884 /nfs/dbraw/zinc/11/98/84/736119884.db2.gz QEQYMVKNSVMLRL-UHFFFAOYSA-N 1 0 370.258 2.520 20 5 FFBDRO O=C(C[NH2+][C@@H](CCO)c1cccs1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000754386730 736154462 /nfs/dbraw/zinc/15/44/62/736154462.db2.gz LQDZOPQYIXPMSH-NSHDSACASA-N 1 0 369.830 2.962 20 5 FFBDRO COC(=O)C[C@@H]([NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000754535992 736169446 /nfs/dbraw/zinc/16/94/46/736169446.db2.gz BGSNMZZBMRFVCV-YMTOWFKASA-N 1 0 369.805 2.507 20 5 FFBDRO CC1(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCC2(CC1)OCCO2 ZINC000905655203 736377040 /nfs/dbraw/zinc/37/70/40/736377040.db2.gz BGPGNZVPNJUZKV-MRXNPFEDSA-N 1 0 350.415 2.541 20 5 FFBDRO CN(CC1CC[NH+](C)CC1)C(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC000906569946 736519037 /nfs/dbraw/zinc/51/90/37/736519037.db2.gz ZORVIWVLSWCYPI-UHFFFAOYSA-N 1 0 353.850 2.981 20 5 FFBDRO CN(C(=O)CCc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000906649791 736529214 /nfs/dbraw/zinc/52/92/14/736529214.db2.gz CWAXHJSYWKJVAC-OAHLLOKOSA-N 1 0 351.834 2.876 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@H](O)c2ccc(Cl)c(F)c2)cc1 ZINC000759046624 736543175 /nfs/dbraw/zinc/54/31/75/736543175.db2.gz BWISKUJBZKTDPD-HOTGVXAUSA-N 1 0 354.765 2.744 20 5 FFBDRO C[NH+]1CCC(CNC(=S)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CC1 ZINC000760498176 736645002 /nfs/dbraw/zinc/64/50/02/736645002.db2.gz YISKBTZALQLRFX-UHFFFAOYSA-N 1 0 362.499 2.776 20 5 FFBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC000908191295 736738021 /nfs/dbraw/zinc/73/80/21/736738021.db2.gz SQIDFPBWQSCMTM-GXFFZTMASA-N 1 0 352.822 2.529 20 5 FFBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)CCc3ccc([N+](=O)[O-])cc3Cl)C[C@@H]2C1 ZINC000908294918 736754126 /nfs/dbraw/zinc/75/41/26/736754126.db2.gz WNAUVTLXCJUWMI-KGLIPLIRSA-N 1 0 351.834 2.591 20 5 FFBDRO C[C@H]1CN(C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)CC[N@@H+](C2CCC2)C1 ZINC000908358118 736763288 /nfs/dbraw/zinc/76/32/88/736763288.db2.gz LLHJHVCMXNKMBO-LLVKDONJSA-N 1 0 366.849 2.777 20 5 FFBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000768812687 737461099 /nfs/dbraw/zinc/46/10/99/737461099.db2.gz LXKUSKDSEHSWNR-FRRDWIJNSA-N 1 0 373.500 2.682 20 5 FFBDRO Cc1cc(S(=O)(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)cc([N+](=O)[O-])c1F ZINC000771730119 737750069 /nfs/dbraw/zinc/75/00/69/737750069.db2.gz BEBIBRNAXXHZTD-OLZOCXBDSA-N 1 0 373.450 2.584 20 5 FFBDRO COc1cc(C[NH2+]C[C@H]2CCC[C@@H](C(F)(F)F)O2)c([N+](=O)[O-])cc1O ZINC000922694180 738186946 /nfs/dbraw/zinc/18/69/46/738186946.db2.gz KCPLPIMIMONTAI-YGRLFVJLSA-N 1 0 364.320 2.899 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H]1CCC2(CCOCC2)O1 ZINC000922814363 738204876 /nfs/dbraw/zinc/20/48/76/738204876.db2.gz RQXQFMYACJZQEE-MRXNPFEDSA-N 1 0 350.415 2.811 20 5 FFBDRO [NH3+]CCCOC1CCN(Cc2cc([N+](=O)[O-])ccc2Br)CC1 ZINC000923299101 738267291 /nfs/dbraw/zinc/26/72/91/738267291.db2.gz XLQSJPPPHQHPQK-UHFFFAOYSA-N 1 0 372.263 2.687 20 5 FFBDRO CC(C)([NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CCOCC1 ZINC000786157923 739029479 /nfs/dbraw/zinc/02/94/79/739029479.db2.gz RPOMUDNCDNFOQV-UHFFFAOYSA-N 1 0 355.822 2.982 20 5 FFBDRO C[NH+](C)CCn1ccc(NC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])n1 ZINC000931200490 739225911 /nfs/dbraw/zinc/22/59/11/739225911.db2.gz WQCYSNXXAPYMFY-UHFFFAOYSA-N 1 0 365.821 2.578 20 5 FFBDRO CCC[NH+]1CCC(CNC(=O)CCc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000931283776 739237495 /nfs/dbraw/zinc/23/74/95/739237495.db2.gz ZIOZQWPQZRMPIK-UHFFFAOYSA-N 1 0 351.422 2.905 20 5 FFBDRO C[C@@H]1C[NH+](C[C@H]2CCCN2Cc2ccc([N+](=O)[O-])c(F)c2)C[C@@H](C)O1 ZINC000788477195 739248485 /nfs/dbraw/zinc/24/84/85/739248485.db2.gz VCPCLEALYNAYQH-IIAWOOMASA-N 1 0 351.422 2.808 20 5 FFBDRO CC(C)(C)[C@@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCO1 ZINC000790431735 739453341 /nfs/dbraw/zinc/45/33/41/739453341.db2.gz QFLXVNRPCROALS-HNNXBMFYSA-N 1 0 353.394 2.809 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)[C@H](C)C1 ZINC000933437412 739625092 /nfs/dbraw/zinc/62/50/92/739625092.db2.gz CJRZSJOAEAPYBI-SKDRFNHKSA-N 1 0 372.828 2.772 20 5 FFBDRO Cn1cc([C@H]2CSCCC[N@@H+]2C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000933977134 739713547 /nfs/dbraw/zinc/71/35/47/739713547.db2.gz ZBLHOOCWULDPGF-IAGOWNOFSA-N 1 0 362.455 2.542 20 5 FFBDRO COC(=O)N1CCC([C@@H](C)[NH2+]Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000796012903 740090558 /nfs/dbraw/zinc/09/05/58/740090558.db2.gz BXKKLBBIYRUCDR-SNVBAGLBSA-N 1 0 357.357 2.830 20 5 FFBDRO CC1(C)CCC(C[NH2+]C2(C)CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1 ZINC000940107060 740147066 /nfs/dbraw/zinc/14/70/66/740147066.db2.gz FWCVWLOSJIXWQR-HZPDHXFCSA-N 1 0 351.491 2.839 20 5 FFBDRO C[NH+](C)C1(CNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)CCCCCC1 ZINC000801799062 740652644 /nfs/dbraw/zinc/65/26/44/740652644.db2.gz QBGDTOIKHMKIAD-UHFFFAOYSA-N 1 0 352.410 2.701 20 5 FFBDRO C[NH+](C)C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N)c1ccc(Cl)cc1 ZINC000802381145 740699396 /nfs/dbraw/zinc/69/93/96/740699396.db2.gz HDPNYWVLEDHRBK-INIZCTEOSA-N 1 0 362.817 2.863 20 5 FFBDRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNc1cc(Cl)ccc1[N+](=O)[O-] ZINC000804407213 740869878 /nfs/dbraw/zinc/86/98/78/740869878.db2.gz RHYXFKKSWUXUKG-OAHLLOKOSA-N 1 0 354.838 2.603 20 5 FFBDRO CCOC(=O)c1cc([N+](=O)[O-])c(N[C@@H](C)C[NH+](C)C)cc1Br ZINC000804854592 740910985 /nfs/dbraw/zinc/91/09/85/740910985.db2.gz JLVPZUJWDLJMQQ-VIFPVBQESA-N 1 0 374.235 2.896 20 5 FFBDRO CNC(=O)OC[C@@H]1CCCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000805825237 741014408 /nfs/dbraw/zinc/01/44/08/741014408.db2.gz OIVUCQFZEBBSBL-HNNXBMFYSA-N 1 0 351.403 2.574 20 5 FFBDRO C[C@H](CC[NH+](C)C)NS(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000809394205 741305397 /nfs/dbraw/zinc/30/53/97/741305397.db2.gz CNPGKQTXYCFLSJ-MRVPVSSYSA-N 1 0 370.258 2.520 20 5 FFBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000812387775 741615972 /nfs/dbraw/zinc/61/59/72/741615972.db2.gz REWDPHGOCRDDFF-LLVKDONJSA-N 1 0 352.391 2.662 20 5 FFBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H](C2CC2)C2(CO)CCOCC2)c1 ZINC000816657405 742051635 /nfs/dbraw/zinc/05/16/35/742051635.db2.gz RBAVXSCWBGQXQF-INIZCTEOSA-N 1 0 354.834 2.906 20 5 FFBDRO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC[NH+](CCC2CCCCCC2)CC1 ZINC001005380569 742253149 /nfs/dbraw/zinc/25/31/49/742253149.db2.gz DSEAVLRRMLCIJG-QZTJIDSGSA-N 1 0 351.491 2.935 20 5 FFBDRO CC1CCC2(CC1)OC[C@H](C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)O2 ZINC000819215293 742355195 /nfs/dbraw/zinc/35/51/95/742355195.db2.gz HASAIPZVWJBFPD-JDCHQWLXSA-N 1 0 350.415 2.540 20 5 FFBDRO C[C@H](CCNC(=O)OC(C)(C)C)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819215320 742355363 /nfs/dbraw/zinc/35/53/63/742355363.db2.gz XTNYNKUSUCULFG-IUODEOHRSA-N 1 0 353.419 2.521 20 5 FFBDRO C[C@@]1(CC[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1(Cl)Cl ZINC000819347517 742379329 /nfs/dbraw/zinc/37/93/29/742379329.db2.gz CTNAMSYTBOTXQM-GXTWGEPZSA-N 1 0 363.241 2.898 20 5 FFBDRO COc1cc(N2CCC(OCCC[NH+](C)C)CC2)c([N+](=O)[O-])cc1C ZINC000820670789 742534209 /nfs/dbraw/zinc/53/42/09/742534209.db2.gz VGBQEHJBSRVFQV-UHFFFAOYSA-N 1 0 351.447 2.849 20 5 FFBDRO CC[NH+]1CCC(NC(=O)Cc2cccc([N+](=O)[O-])c2)(C(F)(F)F)CC1 ZINC000821654425 742649232 /nfs/dbraw/zinc/64/92/32/742649232.db2.gz GCMKEGFEYIFCJA-UHFFFAOYSA-N 1 0 359.348 2.670 20 5 FFBDRO C[N@@H+](Cc1ccc(Cl)cc1)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001029964787 742823628 /nfs/dbraw/zinc/82/36/28/742823628.db2.gz ZODDWGXWVWEDBP-IAGOWNOFSA-N 1 0 365.861 2.676 20 5 FFBDRO Cc1cc(C[NH+]2CCC(C)(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c(C)s1 ZINC001045437671 743274872 /nfs/dbraw/zinc/27/48/72/743274872.db2.gz YEGIJZYBICARGN-HUUCEWRRSA-N 1 0 351.472 2.501 20 5 FFBDRO Cc1cccc(Cl)c1C[NH+]1CCC(C)(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001045437462 743274908 /nfs/dbraw/zinc/27/49/08/743274908.db2.gz SFWKDFYWQZRYMT-CZUORRHYSA-N 1 0 365.861 2.784 20 5 FFBDRO O=C(N[C@H]1CC[C@H](C[NH2+]Cc2ccc(Cl)s2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001050325775 743511585 /nfs/dbraw/zinc/51/15/85/743511585.db2.gz MHSLQIILHVWQFA-HBJVGIJOSA-N 1 0 371.890 2.831 20 5 FFBDRO C[N@@H+]1CC[C@H]2CN(C(=O)c3cc(C(F)(F)F)ccc3[N+](=O)[O-])CC[C@H]21 ZINC000827247190 743541783 /nfs/dbraw/zinc/54/17/83/743541783.db2.gz VKLGSWYNABMJFB-GXFFZTMASA-N 1 0 357.332 2.780 20 5 FFBDRO C[N@@H+]1CC[C@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)CC[C@H]21 ZINC000827254390 743542167 /nfs/dbraw/zinc/54/21/67/743542167.db2.gz PCVXXYFWNPEZTG-IINYFYTJSA-N 1 0 357.332 2.780 20 5 FFBDRO C[N@@H+]1C[C@@]2(C)CN(C(=O)CCc3c(Cl)cccc3[N+](=O)[O-])C[C@@]2(C)C1 ZINC000827598505 743608955 /nfs/dbraw/zinc/60/89/55/743608955.db2.gz ROKHRKYCYGJBMS-HDICACEKSA-N 1 0 365.861 2.981 20 5 FFBDRO C[C@@H]1CN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000830083158 745303105 /nfs/dbraw/zinc/30/31/05/745303105.db2.gz ZEDCEMDSUNSHKQ-GFCCVEGCSA-N 1 0 366.849 2.603 20 5 FFBDRO CO[C@@H]1C[C@H]([NH2+][C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1(C)C ZINC000831334451 745516713 /nfs/dbraw/zinc/51/67/13/745516713.db2.gz WHVFPDBVGDNLEX-BIGNPOOSSA-N 1 0 355.822 2.978 20 5 FFBDRO O=C(C[NH2+][C@@H]([C@H](CO)C1CC1)C1CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000831651134 745561003 /nfs/dbraw/zinc/56/10/03/745561003.db2.gz ZOVZMYUCTAIMDN-CXAGYDPISA-N 1 0 367.833 2.573 20 5 FFBDRO CC[C@@H](C)[NH+]1CCN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000832188341 745653673 /nfs/dbraw/zinc/65/36/73/745653673.db2.gz XUUFNOZRCNHCSH-GFCCVEGCSA-N 1 0 354.838 2.603 20 5 FFBDRO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC2(C1)CC[NH2+]CC2 ZINC000834448562 745840254 /nfs/dbraw/zinc/84/02/54/745840254.db2.gz RILWBLLOEFALOE-UHFFFAOYSA-N 1 0 368.231 2.573 20 5 FFBDRO CO[C@@H]1C[C@@H]([NH2+]CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C12CCC2 ZINC000839191037 746798224 /nfs/dbraw/zinc/79/82/24/746798224.db2.gz NHSXUJVWDXTUFB-ZIAGYGMSSA-N 1 0 353.806 2.734 20 5 FFBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000839440591 746828425 /nfs/dbraw/zinc/82/84/25/746828425.db2.gz WCOUTZRIAVOQKZ-GFCCVEGCSA-N 1 0 370.247 2.912 20 5 FFBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000839440612 746828580 /nfs/dbraw/zinc/82/85/80/746828580.db2.gz XCDLASWANXPZGV-GFCCVEGCSA-N 1 0 370.247 2.912 20 5 FFBDRO CS[C@H]1CN(Cc2cccc([N+](=O)[O-])c2Br)C[C@H]1[NH+](C)C ZINC000839532001 746848556 /nfs/dbraw/zinc/84/85/56/746848556.db2.gz PRQIIFREQLBEJY-OLZOCXBDSA-N 1 0 374.304 2.835 20 5 FFBDRO CC(C)[N@@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)C[C@@H]1CCC(=O)N1 ZINC000839670341 746887262 /nfs/dbraw/zinc/88/72/62/746887262.db2.gz UAKMGRGNVXVFIH-LBPRGKRZSA-N 1 0 370.247 2.846 20 5 FFBDRO C[C@H]([NH2+]CC(C)(C)[C@@H]1COCC12OCCO2)c1ccc([N+](=O)[O-])cc1 ZINC000840803551 747187780 /nfs/dbraw/zinc/18/77/80/747187780.db2.gz RLGMYKWCCNUJGP-BBRMVZONSA-N 1 0 350.415 2.661 20 5 FFBDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000841161182 747284429 /nfs/dbraw/zinc/28/44/29/747284429.db2.gz KVNRRJUGRKPVLP-IUCAKERBSA-N 1 0 357.208 2.558 20 5 FFBDRO C[C@@H](CCCC[NH3+])NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841162325 747285123 /nfs/dbraw/zinc/28/51/23/747285123.db2.gz UHDMLBPHPYIYSY-VIFPVBQESA-N 1 0 359.224 2.996 20 5 FFBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N1CCC2(CC[NH2+]CC2)CC1 ZINC000841856872 747476984 /nfs/dbraw/zinc/47/69/84/747476984.db2.gz BQXHPNSUTGKDHI-UHFFFAOYSA-N 1 0 366.849 2.923 20 5 FFBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000841858538 747477930 /nfs/dbraw/zinc/47/79/30/747477930.db2.gz RLKMUJAXZSQRCE-MRXNPFEDSA-N 1 0 352.822 2.533 20 5 FFBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000842475136 747613014 /nfs/dbraw/zinc/61/30/14/747613014.db2.gz LDHZLRITRFZBEF-PXAZEXFGSA-N 1 0 366.849 2.651 20 5 FFBDRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000842509169 747623413 /nfs/dbraw/zinc/62/34/13/747623413.db2.gz HECPKLAKAYYRPG-JKSUJKDBSA-N 1 0 367.833 2.607 20 5 FFBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000843379702 747821353 /nfs/dbraw/zinc/82/13/53/747821353.db2.gz JMBGHEDNVZFAAF-SJKOYZFVSA-N 1 0 366.849 2.651 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)OC[C@@H]2CC[N@H+](C)[C@@H]2C)cc1SC ZINC000845816835 748330291 /nfs/dbraw/zinc/33/02/91/748330291.db2.gz ZRSLFCWGDCUADB-MNOVXSKESA-N 1 0 354.428 2.822 20 5 FFBDRO C[NH+](C)[C@@H]1CCCN(C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)CC1 ZINC000848591471 748968424 /nfs/dbraw/zinc/96/84/24/748968424.db2.gz CUFBBQJZSLHGEQ-GFCCVEGCSA-N 1 0 357.357 2.509 20 5 FFBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@H](C1CC1)C1(CO)CCOCC1 ZINC000852285090 749823885 /nfs/dbraw/zinc/82/38/85/749823885.db2.gz ZQEJFEJXKOMBOG-MRXNPFEDSA-N 1 0 354.834 2.906 20 5 FFBDRO C[NH+](C)CCC[C@H]1CN(c2ccc([N+](=O)[O-])cc2OC(F)F)CCO1 ZINC000853989544 750219806 /nfs/dbraw/zinc/21/98/06/750219806.db2.gz CTBZFFWIFQIMTA-ZDUSSCGKSA-N 1 0 359.373 2.743 20 5 FFBDRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])C2 ZINC000854734897 750361109 /nfs/dbraw/zinc/36/11/09/750361109.db2.gz FRPXFQYXEHUYFI-QGZVFWFLSA-N 1 0 369.824 2.874 20 5 FFBDRO O=C1CN([C@H]2CC[N@@H+](CCc3ccc([N+](=O)[O-])cc3)C2)c2ccccc2N1 ZINC000759893490 971911204 /nfs/dbraw/zinc/91/12/04/971911204.db2.gz CSMDIYRRQPTEDZ-KRWDZBQOSA-N 1 0 366.421 2.670 20 5 FFBDRO Cc1nn(C)c(C)c1CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000124274149 972213869 /nfs/dbraw/zinc/21/38/69/972213869.db2.gz WAXSOXJXUAMQNE-UHFFFAOYSA-N 1 0 357.458 2.746 20 5 FFBDRO O=[N+]([O-])c1ccc2nc(Cl)nc(-n3ccnc3[C@H]3CCC[NH2+]C3)c2c1 ZINC001167057650 959213926 /nfs/dbraw/zinc/21/39/26/959213926.db2.gz VAYXXXHVCLSXHY-JTQLQIEISA-N 1 0 358.789 2.844 20 5 FFBDRO O=[N+]([O-])c1cccc2ncnc(N3C[C@H]4C[NH2+]C[C@@]4(c4ccccc4)C3)c21 ZINC001167207849 960404550 /nfs/dbraw/zinc/40/45/50/960404550.db2.gz LMLPWRGROGZLGU-QRWLVFNGSA-N 1 0 361.405 2.515 20 5 FFBDRO [NH3+]CC1(N(Cc2ccccc2)c2cc([N+](=O)[O-])cc3cc[nH]c32)COC1 ZINC001167370905 962452749 /nfs/dbraw/zinc/45/27/49/962452749.db2.gz DTFWYAKUPHMJNJ-UHFFFAOYSA-N 1 0 352.394 2.810 20 5 FFBDRO Cc1c(C[NH2+]Cc2ccc(CN3CCNC3=O)cc2)cccc1[N+](=O)[O-] ZINC000873151912 1013405009 /nfs/dbraw/zinc/40/50/09/1013405009.db2.gz CZFLUJLPPJQINK-UHFFFAOYSA-N 1 0 354.410 2.718 20 5 FFBDRO Cn1ccnc1[C@@H](NC[C@@H]1CCC(C)(C)C[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC000873236743 1013437593 /nfs/dbraw/zinc/43/75/93/1013437593.db2.gz JJYKUFBPOMXPLQ-RDJZCZTQSA-N 1 0 357.458 2.786 20 5 FFBDRO Cn1c2ccccc2c(NC[C@H]2CC[N@@H+](C(C)(C)C)C2)c([N+](=O)[O-])c1=O ZINC000894476030 965403285 /nfs/dbraw/zinc/40/32/85/965403285.db2.gz MEZMGCIJHJOBJK-CYBMUJFWSA-N 1 0 358.442 2.979 20 5 FFBDRO CN(CCC1CC1)C(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000934045522 965543906 /nfs/dbraw/zinc/54/39/06/965543906.db2.gz OTVRPZWSQCHNRI-UHFFFAOYSA-N 1 0 361.446 2.610 20 5 FFBDRO CC(C)Cc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cc1 ZINC000983657622 965685088 /nfs/dbraw/zinc/68/50/88/965685088.db2.gz KKWFHVJPXZGHPP-NCXUSEDFSA-N 1 0 359.470 2.535 20 5 FFBDRO Cc1nc(CC2CC[NH+](CCC(=O)Nc3ccccc3[N+](=O)[O-])CC2)no1 ZINC001176345176 1013679671 /nfs/dbraw/zinc/67/96/71/1013679671.db2.gz LLWFLIWAZJESBF-UHFFFAOYSA-N 1 0 373.413 2.570 20 5 FFBDRO CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2C[C@H]3C[C@@]3(CO)C2)cc1OC ZINC000782619269 969184828 /nfs/dbraw/zinc/18/48/28/969184828.db2.gz ISYXLUHURJTARR-OHNRDTAOSA-N 1 0 364.442 2.843 20 5 FFBDRO Cc1ccc(CNC(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000892537120 969403941 /nfs/dbraw/zinc/40/39/41/969403941.db2.gz OJBIZNGHRZNZDK-IRXDYDNUSA-N 1 0 360.458 2.967 20 5 FFBDRO COc1cc([N+](=O)[O-])cnc1N1CCC([NH2+]CCOc2ccccc2)CC1 ZINC000892610061 969588869 /nfs/dbraw/zinc/58/88/69/969588869.db2.gz GPVGMRMUQUJUFI-UHFFFAOYSA-N 1 0 372.425 2.636 20 5 FFBDRO C[C@@H]1[NH2+]C[C@H]1Oc1c(Br)cc(Br)cc1[N+](=O)[O-] ZINC001218385339 969898207 /nfs/dbraw/zinc/89/82/07/969898207.db2.gz LGVCJOROURHZEO-SSDLBLMSSA-N 1 0 366.009 2.859 20 5 FFBDRO C[C@H](OC(=O)[C@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000875160961 1013982401 /nfs/dbraw/zinc/98/24/01/1013982401.db2.gz DLDBPCYQHSMXPE-KKXDTOCCSA-N 1 0 372.425 2.668 20 5 FFBDRO Cc1nn(C)c(C(=O)OCc2ccc(C[NH+]3CCCCC3)cc2)c1[N+](=O)[O-] ZINC000840217839 970733995 /nfs/dbraw/zinc/73/39/95/970733995.db2.gz DDZLBUNLBVNHCU-UHFFFAOYSA-N 1 0 372.425 2.980 20 5 FFBDRO CCOC(=O)Cc1ccc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c([N+](=O)[O-])c1 ZINC000825842157 1014110549 /nfs/dbraw/zinc/11/05/49/1014110549.db2.gz ZJDYMPHCSFILGF-HOTGVXAUSA-N 1 0 361.442 2.621 20 5 FFBDRO Cc1ccc(CNC(=O)N2CCC3(CC2)CC[NH+](C)CC3)cc1[N+](=O)[O-] ZINC000876168160 1014156097 /nfs/dbraw/zinc/15/60/97/1014156097.db2.gz JUXRBAHJEMWFEB-UHFFFAOYSA-N 1 0 360.458 2.921 20 5 FFBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000843804467 976870865 /nfs/dbraw/zinc/87/08/65/976870865.db2.gz HAEBXECFOHPKIC-UHFFFAOYSA-N 1 0 371.412 2.871 20 5 FFBDRO Cn1ncc2cc(C[NH+]3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)cnc21 ZINC000876766906 1014383498 /nfs/dbraw/zinc/38/34/98/1014383498.db2.gz VWVRVRRNUHMASG-UHFFFAOYSA-N 1 0 367.409 2.920 20 5 FFBDRO CC(C)(C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)N1CCc2ccccc2C1 ZINC000876910996 1014417683 /nfs/dbraw/zinc/41/76/83/1014417683.db2.gz RVXKJVQOVGFLPM-UHFFFAOYSA-N 1 0 369.469 2.921 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000876919491 1014420796 /nfs/dbraw/zinc/42/07/96/1014420796.db2.gz VIJLFHPUQOKDAF-MAUKXSAKSA-N 1 0 361.442 2.570 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)cc1C ZINC001211756712 977796842 /nfs/dbraw/zinc/79/68/42/977796842.db2.gz YQJTWASAWLHUHE-MRXNPFEDSA-N 1 0 369.487 2.610 20 5 FFBDRO Cc1ccc(CC[NH2+]Cc2ccc(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cc2)cc1 ZINC001482029645 977930692 /nfs/dbraw/zinc/93/06/92/977930692.db2.gz MPJCVGDZLVNSOC-WOJBJXKFSA-N 1 0 367.449 2.609 20 5 FFBDRO O=C(N[C@H]1CC[NH2+]C12CCC2)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000877001502 1014446755 /nfs/dbraw/zinc/44/67/55/1014446755.db2.gz CXCYGMMOGWGOLM-KRWDZBQOSA-N 1 0 358.442 2.600 20 5 FFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@@H]3CCCN(c4ccccc4F)C3)C2)c1 ZINC000877126530 1014480760 /nfs/dbraw/zinc/48/07/60/1014480760.db2.gz MRVRTCGHSCJFCB-WLYUNCDWSA-N 1 0 359.405 2.893 20 5 FFBDRO COc1cccc(CN(CC[NH+](C)C)C(=O)c2cc([N+](=O)[O-])cc(C)n2)c1 ZINC001269137066 978476946 /nfs/dbraw/zinc/47/69/46/978476946.db2.gz LNKRCHUDVWHSDJ-UHFFFAOYSA-N 1 0 372.425 2.511 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N3C[C@@H]4C[NH2+]C[C@]4(C)C3)cc2[N+](=O)[O-])CC1 ZINC000877378736 1014566512 /nfs/dbraw/zinc/56/65/12/1014566512.db2.gz VZOPFCVUFFYWBW-OXJNMPFZSA-N 1 0 372.469 2.513 20 5 FFBDRO O=C(CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)NC1CCCCC1 ZINC000128781636 979885304 /nfs/dbraw/zinc/88/53/04/979885304.db2.gz RHFHGDGCEMHARE-UHFFFAOYSA-N 1 0 374.485 2.992 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CCc2ccc3ncccc3c2)c1 ZINC000905519705 980461361 /nfs/dbraw/zinc/46/13/61/980461361.db2.gz DFMRPAYOBGAHQR-GOSISDBHSA-N 1 0 367.405 2.715 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@]1(c2ccccc2)CCCO1 ZINC000905620348 980473277 /nfs/dbraw/zinc/47/32/77/980473277.db2.gz AEPQUXDDKBRGJA-XLIONFOSSA-N 1 0 372.421 2.630 20 5 FFBDRO C[C@@H](C[NH2+]Cc1ccccc1OCC(=O)N(C)C)c1ccccc1[N+](=O)[O-] ZINC000897469878 981170564 /nfs/dbraw/zinc/17/05/64/981170564.db2.gz SQQAGHQXUNJDDZ-HNNXBMFYSA-N 1 0 371.437 2.955 20 5 FFBDRO COc1cc(C[NH2+][C@H]2CCN(C)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000729682643 981284718 /nfs/dbraw/zinc/28/47/18/981284718.db2.gz XMGAVQZKDDUZJF-KRWDZBQOSA-N 1 0 371.437 2.976 20 5 FFBDRO CCOC(=O)[C@@H](C)C1CN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000877828159 1014746362 /nfs/dbraw/zinc/74/63/62/1014746362.db2.gz AYFJPZYZCLXZRA-ZDUSSCGKSA-N 1 0 372.425 2.626 20 5 FFBDRO Cn1cc(C(=O)N2CCC(C)([NH+](C)C)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000913399096 984255144 /nfs/dbraw/zinc/25/51/44/984255144.db2.gz RVEXYMUJPODYIW-UHFFFAOYSA-N 1 0 371.441 2.552 20 5 FFBDRO C[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1nnc2ccccn21 ZINC000764723603 984662860 /nfs/dbraw/zinc/66/28/60/984662860.db2.gz QWPFIQXUIXCDTD-AWEZNQCLSA-N 1 0 366.425 2.957 20 5 FFBDRO Cc1cc(F)cc(C(=O)Nc2ccnc(OCC[NH+](C)C)c2)c1[N+](=O)[O-] ZINC000765453247 985104078 /nfs/dbraw/zinc/10/40/78/985104078.db2.gz SUFKXRLYPRRYEI-UHFFFAOYSA-N 1 0 362.361 2.630 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](C)c1ccc(N2CCCCC2=O)cc1 ZINC000878632844 1015142268 /nfs/dbraw/zinc/14/22/68/1015142268.db2.gz JHIJZIIWHIHGKU-AWEZNQCLSA-N 1 0 371.441 2.967 20 5 FFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(C[NH2+]Cc2ccc(C(F)F)cc2)CC1 ZINC000997771614 985733360 /nfs/dbraw/zinc/73/33/60/985733360.db2.gz ILWJFTJWCFRNIG-HZPDHXFCSA-N 1 0 367.396 2.618 20 5 FFBDRO C[N@@H+]1CC[C@]2(C1)CCCN(Cc1nnc(-c3ccccc3[N+](=O)[O-])o1)C2 ZINC000878662591 1015156308 /nfs/dbraw/zinc/15/63/08/1015156308.db2.gz RJBAXZUKWAZRIX-SFHVURJKSA-N 1 0 357.414 2.563 20 5 FFBDRO CC[NH+]1CCC(CCNC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)CC1 ZINC000076198422 986581795 /nfs/dbraw/zinc/58/17/95/986581795.db2.gz WLKFRETWZKGXJA-UHFFFAOYSA-N 1 0 364.402 2.663 20 5 FFBDRO O=C(NC1CC[NH+](Cc2ccc3ccccc3c2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001002787152 987475828 /nfs/dbraw/zinc/47/58/28/987475828.db2.gz GSCXXVOSACHNAX-RTBURBONSA-N 1 0 353.422 2.586 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@H](C)C[NH+]2CCC(C)CC2)c1C ZINC001212496864 987775248 /nfs/dbraw/zinc/77/52/48/987775248.db2.gz HDDIAXUYNMQGHG-CQSZACIVSA-N 1 0 369.487 2.610 20 5 FFBDRO CCC(CC)[C@@H](CNc1ccc([N+](=O)[O-])c2nonc21)[NH+]1CCOCC1 ZINC000914862416 987999947 /nfs/dbraw/zinc/99/99/47/987999947.db2.gz GDKWABBWBRUETG-OAHLLOKOSA-N 1 0 363.418 2.680 20 5 FFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[C@H]2C[N@@H+](CCCC3CCCC3)C[C@H]2CC1 ZINC000946589107 988771750 /nfs/dbraw/zinc/77/17/50/988771750.db2.gz GKILVKIVLBNHIO-FCGDIQPGSA-N 1 0 363.502 2.792 20 5 FFBDRO COCCN(CC1CC[NH+](C)CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000879229542 1015422240 /nfs/dbraw/zinc/42/22/40/1015422240.db2.gz XXSOXCYBDFRJOY-UHFFFAOYSA-N 1 0 364.446 2.725 20 5 FFBDRO COc1cc(CNCc2cc(C(F)(F)F)nn2C)c([N+](=O)[O-])cc1OC ZINC000922715225 988841791 /nfs/dbraw/zinc/84/17/91/988841791.db2.gz BEHRQGUCVHHMRU-UHFFFAOYSA-N 1 0 374.319 2.654 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@@H](O)c2cccc(C(F)(F)F)c2)cc1 ZINC000916966399 990080711 /nfs/dbraw/zinc/08/07/11/990080711.db2.gz DMBGMAPUNKYDHE-JKSUJKDBSA-N 1 0 370.327 2.970 20 5 FFBDRO CC1(C)Nc2ccccc2[C@H]1[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000923425102 991134532 /nfs/dbraw/zinc/13/45/32/991134532.db2.gz FGXVBQPMEHBCTG-FZKQIMNGSA-N 1 0 357.410 2.870 20 5 FFBDRO C[C@@H]1CCC[C@@](CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)([NH+](C)C)C1 ZINC000068116817 991336377 /nfs/dbraw/zinc/33/63/77/991336377.db2.gz CYGSTSVINJPGKY-SJKOYZFVSA-N 1 0 364.402 2.743 20 5 FFBDRO Cc1c(C(=O)NCCC[NH+]2CCCCCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000069618099 991817986 /nfs/dbraw/zinc/81/79/86/991817986.db2.gz GQSFJKHVLSBWQW-UHFFFAOYSA-N 1 0 364.402 2.807 20 5 FFBDRO CCOc1cc(CN2CCC[C@H]([NH2+]C3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000880206100 1015780453 /nfs/dbraw/zinc/78/04/53/1015780453.db2.gz XWXYVBMLYFNMRA-KRWDZBQOSA-N 1 0 363.458 2.727 20 5 FFBDRO CCC(CC)[N@H+](CC)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000808782159 994259909 /nfs/dbraw/zinc/25/99/09/994259909.db2.gz IFSKRMUMHCOVKW-UHFFFAOYSA-N 1 0 362.474 2.754 20 5 FFBDRO C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc(N2CCCCC2=O)cc1 ZINC000810126245 994707392 /nfs/dbraw/zinc/70/73/92/994707392.db2.gz DQHZPHIWEHCYMY-CQSZACIVSA-N 1 0 357.414 2.659 20 5 FFBDRO COc1ccc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c(OC)n1 ZINC000810261683 994738609 /nfs/dbraw/zinc/73/86/09/994738609.db2.gz XVEFVNUZNPTWOS-UHFFFAOYSA-N 1 0 372.425 2.766 20 5 FFBDRO CN(CCOC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000810556024 994817280 /nfs/dbraw/zinc/81/72/80/994817280.db2.gz WZRWZLCAWCUIRK-SFHVURJKSA-N 1 0 367.421 2.787 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC001137370120 1015995852 /nfs/dbraw/zinc/99/58/52/1015995852.db2.gz UXUVTMDLOZEDMR-CQSZACIVSA-N 1 0 367.833 2.575 20 5 FFBDRO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2C(=O)c1ccc([N+](=O)[O-])n1C ZINC000824417402 996950333 /nfs/dbraw/zinc/95/03/33/996950333.db2.gz VVTIKWDJNGQLHQ-GOEBONIOSA-N 1 0 354.410 2.690 20 5 FFBDRO CC[NH+](CC)Cc1cccc(CNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000825305525 997306865 /nfs/dbraw/zinc/30/68/65/997306865.db2.gz MCIFBRLWDKGDNL-LJQANCHMSA-N 1 0 371.437 2.786 20 5 FFBDRO C[C@@H](CC[NH+](C)C)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 ZINC000733164786 998903860 /nfs/dbraw/zinc/90/38/60/998903860.db2.gz CELXRZOMWFMFLH-HNNXBMFYSA-N 1 0 362.474 2.901 20 5 FFBDRO C[C@@H]1CCC[C@@H](C)[N@H+](CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000742154158 999762431 /nfs/dbraw/zinc/76/24/31/999762431.db2.gz DPVQCVYVAPIDBY-ZIAGYGMSSA-N 1 0 360.414 2.831 20 5 FFBDRO COc1cc(CC[NH2+]C[C@H](O)c2ccc(C)cc2)c([N+](=O)[O-])cc1OC ZINC000743255469 999809378 /nfs/dbraw/zinc/80/93/78/999809378.db2.gz HEHWGTUIQHCVJM-KRWDZBQOSA-N 1 0 360.410 2.786 20 5 FFBDRO CCCSc1nc(Cl)c([N+](=O)[O-])c(-n2cc3c(n2)CC[C@H]([NH3+])C3)n1 ZINC001168809277 999998959 /nfs/dbraw/zinc/99/89/59/999998959.db2.gz QFJTVTVJYOELKY-VIFPVBQESA-N 1 0 368.850 2.542 20 5 FFBDRO COC(=O)c1cc(Br)ccc1C[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168984463 1000012421 /nfs/dbraw/zinc/01/24/21/1000012421.db2.gz OHGAFRPIXTURDG-GXFFZTMASA-N 1 0 371.231 2.771 20 5 FFBDRO CC(C)(C)OC(=O)N1C[C@H]2[C@H](CC[C@@H]2[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168965096 1000013217 /nfs/dbraw/zinc/01/32/17/1000013217.db2.gz XZFGLOCNLZTEEX-SUJAAXHWSA-N 1 0 353.463 2.667 20 5 FFBDRO CC1(COc2ccc(C[NH2+][C@@H]3CC[C@@H](C[N+](=O)[O-])C3)cc2F)COC1 ZINC001169004030 1000014662 /nfs/dbraw/zinc/01/46/62/1000014662.db2.gz PDJSNLKXDBYQFJ-HUUCEWRRSA-N 1 0 352.406 2.776 20 5 FFBDRO CC(C)(C)OC(=O)N1CC[C@]2(CCC[N@@H+]2[C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169011641 1000015543 /nfs/dbraw/zinc/01/55/43/1000015543.db2.gz LWVMMTXMISOGCL-HDMKZQKVSA-N 1 0 353.463 2.907 20 5 FFBDRO CC(C)(C)OC(=O)N1CCC2(C[NH+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C2)CC1 ZINC001169012978 1000015564 /nfs/dbraw/zinc/01/55/64/1000015564.db2.gz SQBXPBMPMZSDQO-GJZGRUSLSA-N 1 0 353.463 2.765 20 5 FFBDRO CC(C)(C)OC(=O)N1CCC2(CC[N@@H+]2[C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169011909 1000015657 /nfs/dbraw/zinc/01/56/57/1000015657.db2.gz NHCSVVAZHMBHEO-LSDHHAIUSA-N 1 0 353.463 2.907 20 5 FFBDRO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@@H]2C1 ZINC001169035777 1000016739 /nfs/dbraw/zinc/01/67/39/1000016739.db2.gz LUDXHXDUPPEMQQ-XUWVNRHRSA-N 1 0 353.463 2.621 20 5 FFBDRO CCn1c2ccccc2nc1N1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169055344 1000019035 /nfs/dbraw/zinc/01/90/35/1000019035.db2.gz PSLBVGOXRRPZHC-JKSUJKDBSA-N 1 0 357.458 2.624 20 5 FFBDRO C[NH+](C)CCOc1cc(N[C@H]2CCc3ccccc3[C@H]2O)ccc1[N+](=O)[O-] ZINC001169625926 1000063553 /nfs/dbraw/zinc/06/35/53/1000063553.db2.gz DOLYQPSIDNKKHU-FXAWDEMLSA-N 1 0 371.437 2.996 20 5 FFBDRO CCOC(=O)C[C@@H](Nc1cc2c(cc1[N+](=O)[O-])C[NH2+]C2)c1cccnc1 ZINC001169675495 1000070207 /nfs/dbraw/zinc/07/02/07/1000070207.db2.gz BXBWDFFBDZJKEZ-OAHLLOKOSA-N 1 0 356.382 2.699 20 5 FFBDRO COC(=O)COc1ccc([C@@H](C)[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000767876886 1000154032 /nfs/dbraw/zinc/15/40/32/1000154032.db2.gz RMWPHBPNIWMNBA-ACJLOTCBSA-N 1 0 374.393 2.531 20 5 FFBDRO C[C@@H]1CN(C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])CCN1C ZINC000787391060 1001689629 /nfs/dbraw/zinc/68/96/29/1001689629.db2.gz RBCOEOHQODZYAH-OAHLLOKOSA-N 1 0 369.421 2.950 20 5 FFBDRO O=C(NC1(C[NH2+]Cc2cc(F)ccc2F)CCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001276199608 1016524672 /nfs/dbraw/zinc/52/46/72/1016524672.db2.gz BVACTSBODLJVDA-GDBMZVCRSA-N 1 0 367.396 2.539 20 5 FFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]Cc2nnc(-c3ccccc3)[nH]2)n1 ZINC000774316317 1001857746 /nfs/dbraw/zinc/85/77/46/1001857746.db2.gz SVJWDAKHELQWBT-CABCVRRESA-N 1 0 367.413 2.850 20 5 FFBDRO C[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000774356193 1001890622 /nfs/dbraw/zinc/89/06/22/1001890622.db2.gz OBGCHCKTJPWMIA-MCIONIFRSA-N 1 0 367.450 2.778 20 5 FFBDRO C[C@@H](CNc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC001184839250 1002734334 /nfs/dbraw/zinc/73/43/34/1002734334.db2.gz FOODNWFTRLULNS-KGLIPLIRSA-N 1 0 358.442 2.979 20 5 FFBDRO O=[N+]([O-])c1c(N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cccc1C(F)(F)F ZINC001185241247 1002881142 /nfs/dbraw/zinc/88/11/42/1002881142.db2.gz HIDRWIQJWIBJAU-GXTWGEPZSA-N 1 0 359.348 2.649 20 5 FFBDRO O=C(COC(=O)c1ccc2c[nH+]cn2c1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000792571192 1003053615 /nfs/dbraw/zinc/05/36/15/1003053615.db2.gz KCSMHWOMSNTHQD-UHFFFAOYSA-N 1 0 374.740 2.691 20 5 FFBDRO COc1ccc(C[C@@H](C)n2nnc(-c3cccc(C[NH3+])c3)n2)c([N+](=O)[O-])c1 ZINC001170304686 1003093158 /nfs/dbraw/zinc/09/31/58/1003093158.db2.gz FPJQSMUNTUULMX-GFCCVEGCSA-N 1 0 368.397 2.519 20 5 FFBDRO COc1ccc(C[C@H](C)[N@H+](C)[C@H]2CCC3(C2)OCCO3)c([N+](=O)[O-])c1 ZINC001170354375 1003121577 /nfs/dbraw/zinc/12/15/77/1003121577.db2.gz JVJNEBXINALODY-ZFWWWQNUSA-N 1 0 350.415 2.762 20 5 FFBDRO COc1ccc(C[C@@H](C)[N@@H+]2CC[C@@H](Oc3nccnc3C)C2)c([N+](=O)[O-])c1 ZINC001170354834 1003122915 /nfs/dbraw/zinc/12/29/15/1003122915.db2.gz QBKAVSZTJNUSBE-CXAGYDPISA-N 1 0 372.425 2.786 20 5 FFBDRO CO[C@]1(C)C[C@H]([NH2+]CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1(C)C ZINC001170385910 1003138575 /nfs/dbraw/zinc/13/85/75/1003138575.db2.gz KHWIETOWUGQMPI-XJKSGUPXSA-N 1 0 355.822 2.980 20 5 FFBDRO COC(=O)[C@H](Cc1ccccc1)[C@@H](C)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000792931976 1003239782 /nfs/dbraw/zinc/23/97/82/1003239782.db2.gz BJKAXMWUHTZPAY-NIKGAXFTSA-N 1 0 372.421 2.638 20 5 FFBDRO CC(C)c1ccccc1C[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001001400034 1016783131 /nfs/dbraw/zinc/78/31/31/1016783131.db2.gz PJWHCCGCHNALEQ-RTBURBONSA-N 1 0 359.470 2.803 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CN1CC2(CCCC2)OC[C@H]1C[NH+](C)C ZINC001196198252 1003699651 /nfs/dbraw/zinc/69/96/51/1003699651.db2.gz HPKHVIUGVRHCII-QGZVFWFLSA-N 1 0 363.458 2.679 20 5 FFBDRO C[N@@H+]1CCN(c2nc3ccccn3c2[N+](=O)[O-])C[C@@H]1Cc1ccccc1 ZINC000804720342 1003799371 /nfs/dbraw/zinc/79/93/71/1003799371.db2.gz ROFBQRYBFREBOI-INIZCTEOSA-N 1 0 351.410 2.606 20 5 FFBDRO CC[C@H](C)C[N@H+](CC)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001191375721 1003805380 /nfs/dbraw/zinc/80/53/80/1003805380.db2.gz WZSRFZVWQMAERU-INIZCTEOSA-N 1 0 362.474 2.611 20 5 FFBDRO CCO[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H]1Oc1ccccc1 ZINC000775502600 1004071573 /nfs/dbraw/zinc/07/15/73/1004071573.db2.gz UBUUDKSZDBFMRQ-NMLBUPMWSA-N 1 0 372.421 2.843 20 5 FFBDRO CC[NH+](CC)[C@H](CNC(=O)c1cc(C)cc([N+](=O)[O-])c1N)c1ccco1 ZINC000104149201 1004435815 /nfs/dbraw/zinc/43/58/15/1004435815.db2.gz SPLPAUAMWCCGMQ-OAHLLOKOSA-N 1 0 360.414 2.891 20 5 FFBDRO COC(=O)N1CCC[C@H]([C@@H](C)[NH2+]CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000775813173 1004466566 /nfs/dbraw/zinc/46/65/66/1004466566.db2.gz USLHBJMWFQKVJE-CABCVRRESA-N 1 0 365.430 2.820 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H]1c1ccnn1C ZINC001198156097 1004513173 /nfs/dbraw/zinc/51/31/73/1004513173.db2.gz DZMHAABDPUCADD-MRXNPFEDSA-N 1 0 373.413 2.503 20 5 FFBDRO CC(C)[C@@](O)(C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1ccccc1 ZINC001194030475 1004634007 /nfs/dbraw/zinc/63/40/07/1004634007.db2.gz OIKVPXWPQJQXKV-IBGZPJMESA-N 1 0 358.442 2.972 20 5 FFBDRO Cc1c(C[NH2+][C@H](CN2CCN(C)CC2)c2ccccc2)cccc1[N+](=O)[O-] ZINC000775618444 1004838106 /nfs/dbraw/zinc/83/81/06/1004838106.db2.gz ZQOOYEKZXTWQDH-HXUWFJFHSA-N 1 0 368.481 2.982 20 5 FFBDRO CC[N@H+](CCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)C1CC1 ZINC000101958688 1004964106 /nfs/dbraw/zinc/96/41/06/1004964106.db2.gz XYXITQJYUFKUCN-UHFFFAOYSA-N 1 0 360.458 2.799 20 5 FFBDRO C[N@@H+](Cc1ccccc1CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC1CC(C)(C)C1 ZINC001050245045 1016930089 /nfs/dbraw/zinc/93/00/89/1016930089.db2.gz XMSNZAJMVICLGJ-QZTJIDSGSA-N 1 0 359.470 2.836 20 5 FFBDRO Cc1cccc(C[NH+]2CCN(C[C@H](O)c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000776272823 1005338964 /nfs/dbraw/zinc/33/89/64/1005338964.db2.gz XQPXFDVLNNQAPY-FQEVSTJZSA-N 1 0 355.438 2.754 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH+]2C[C@H]3CN(c4ccccc4)C[C@@H]3C2)cc1 ZINC000776279506 1005345804 /nfs/dbraw/zinc/34/58/04/1005345804.db2.gz XUVMBOVTWRNKKD-ABSDTBQOSA-N 1 0 353.422 2.696 20 5 FFBDRO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000106867615 1005364987 /nfs/dbraw/zinc/36/49/87/1005364987.db2.gz VAALQZODRMTPQY-CQSZACIVSA-N 1 0 365.430 2.963 20 5 FFBDRO COc1ccc(N2C[C@H]([NH2+][C@@H](C)c3ccc(N)c([N+](=O)[O-])c3)CC2=O)cc1 ZINC000850516814 1005819962 /nfs/dbraw/zinc/81/99/62/1005819962.db2.gz ZBZSZKBEZWDAFM-GXTWGEPZSA-N 1 0 370.409 2.642 20 5 FFBDRO [NH3+][C@@H]1CN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC[C@@H]1c1ccccc1 ZINC000850723391 1005834791 /nfs/dbraw/zinc/83/47/91/1005834791.db2.gz OQVWOLRFIDDVQK-AXJDHONKSA-N 1 0 351.406 2.951 20 5 FFBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000851646612 1005902817 /nfs/dbraw/zinc/90/28/17/1005902817.db2.gz YYNZPCZWBZOGSJ-SFHVURJKSA-N 1 0 370.409 2.574 20 5 FFBDRO CCN(C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCN(c2ccccc2)C1=O ZINC000776582880 1005954467 /nfs/dbraw/zinc/95/44/67/1005954467.db2.gz CZPABNTVACQBQA-OALUTQOASA-N 1 0 369.421 2.756 20 5 FFBDRO CCCCN(C)C(=O)C1CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776579100 1005959643 /nfs/dbraw/zinc/95/96/43/1005959643.db2.gz JENUWULZLFIUQU-SFHVURJKSA-N 1 0 363.458 2.599 20 5 FFBDRO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776580517 1005960985 /nfs/dbraw/zinc/96/09/85/1005960985.db2.gz VYLMDUQXSLRZSW-ZVZYQTTQSA-N 1 0 363.458 2.645 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH+]2CCC(OC[C@@H]3CCCCO3)CC2)cc1 ZINC000776590409 1005993658 /nfs/dbraw/zinc/99/36/58/1005993658.db2.gz DIGVSIARGQGNFL-RBUKOAKNSA-N 1 0 364.442 2.678 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)cc1 ZINC000776595896 1006038246 /nfs/dbraw/zinc/03/82/46/1006038246.db2.gz CEBRWAIZVCYMSC-ZBFHGGJFSA-N 1 0 357.414 2.503 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC001133954790 1006059354 /nfs/dbraw/zinc/05/93/54/1006059354.db2.gz IOGWYXWQMKFRIB-AWEZNQCLSA-N 1 0 354.410 2.958 20 5 FFBDRO CC(C)[C@@]1(C)C[C@H]1C(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001134416275 1006319497 /nfs/dbraw/zinc/31/94/97/1006319497.db2.gz TWZWBVPACVKADM-HNAYVOBHSA-N 1 0 360.458 2.967 20 5 FFBDRO COc1ncc([N+](=O)[O-])c(N[C@@H](Cc2ccccc2)C[NH+]2CCCC2)n1 ZINC001170753251 1006352655 /nfs/dbraw/zinc/35/26/55/1006352655.db2.gz BWPIVWQQVRLYTD-HNNXBMFYSA-N 1 0 357.414 2.512 20 5 FFBDRO O=[N+]([O-])c1ccc2nc(N3CCC[C@@H]([NH2+]C4CCOCC4)C3)ccc2c1 ZINC000882725408 1006489525 /nfs/dbraw/zinc/48/95/25/1006489525.db2.gz QZGBFBXNOULDCC-MRXNPFEDSA-N 1 0 356.426 2.880 20 5 FFBDRO Cc1noc(COC(=O)C2CC[NH+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000853900694 1006576489 /nfs/dbraw/zinc/57/64/89/1006576489.db2.gz ZUPBBJRQWNZVHA-UHFFFAOYSA-N 1 0 359.382 2.847 20 5 FFBDRO COc1cc(Cc2noc(-c3cccc4c3CC[NH2+]C4)n2)ccc1[N+](=O)[O-] ZINC000854142184 1006704778 /nfs/dbraw/zinc/70/47/78/1006704778.db2.gz GBVQUPBGZFPJEK-UHFFFAOYSA-N 1 0 366.377 2.890 20 5 FFBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CC[N@@H+]1C1CCCC1 ZINC001152591731 1032199029 /nfs/dbraw/zinc/19/90/29/1032199029.db2.gz DEFBTXIDTKNFHM-HNNXBMFYSA-N 1 0 351.834 2.924 20 5 FFBDRO O=C(COc1ccc([N+](=O)[O-])c2cccnc12)OCCC[NH+]1CCCCC1 ZINC000800220815 1007209974 /nfs/dbraw/zinc/20/99/74/1007209974.db2.gz MEEUOQAUSDHQCI-UHFFFAOYSA-N 1 0 373.409 2.941 20 5 FFBDRO Nc1c(C(=O)NCCC[NH+]2CCCCCC2)cc(Cl)c(F)c1[N+](=O)[O-] ZINC001135717483 1007222043 /nfs/dbraw/zinc/22/20/43/1007222043.db2.gz RDCXYNRWLJOBJF-UHFFFAOYSA-N 1 0 372.828 2.965 20 5 FFBDRO C[C@H]1CN(c2cc[nH+]cc2)CCN1c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000884855870 1007578875 /nfs/dbraw/zinc/57/88/75/1007578875.db2.gz SQOFTWYQHIYVTL-ZDUSSCGKSA-N 1 0 350.382 2.648 20 5 FFBDRO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC001135925194 1007628688 /nfs/dbraw/zinc/62/86/88/1007628688.db2.gz YBEMMQIYHQSCML-OAHLLOKOSA-N 1 0 359.401 2.945 20 5 FFBDRO Cc1c(C(=O)N[C@H](C)C[NH+]2CCC(C)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000855898770 1007629912 /nfs/dbraw/zinc/62/99/12/1007629912.db2.gz UXIBNFPUYWKTLY-GFCCVEGCSA-N 1 0 364.402 2.662 20 5 FFBDRO Cn1ccnc1[C@@H](NCc1ccc(CC[NH3+])cc1)c1cccc([N+](=O)[O-])c1 ZINC000817947896 1007822674 /nfs/dbraw/zinc/82/26/74/1007822674.db2.gz DXVBIYKGGJWHSQ-IBGZPJMESA-N 1 0 365.437 2.709 20 5 FFBDRO O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000856478821 1007847704 /nfs/dbraw/zinc/84/77/04/1007847704.db2.gz GBVFCXJTFGWUAF-AWEZNQCLSA-N 1 0 367.396 2.925 20 5 FFBDRO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C[C@@]1(C)C[NH3+] ZINC000818007727 1007849854 /nfs/dbraw/zinc/84/98/54/1007849854.db2.gz IUNUNCWGQBDHDP-AUUYWEPGSA-N 1 0 360.458 2.642 20 5 FFBDRO Cc1cc(C[NH3+])cc(NC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000818633895 1007956620 /nfs/dbraw/zinc/95/66/20/1007956620.db2.gz IXVIINFPMPPASH-UHFFFAOYSA-N 1 0 369.425 2.716 20 5 FFBDRO CCOc1cc(C[NH+]2CCC([C@H](O)c3ccnn3C)CC2)ccc1[N+](=O)[O-] ZINC000856796447 1007978028 /nfs/dbraw/zinc/97/80/28/1007978028.db2.gz QMAWKQRBWLFOAT-IBGZPJMESA-N 1 0 374.441 2.673 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]Cc2ccc(OCC(F)(F)F)nc2)cc1 ZINC000818957159 1007995068 /nfs/dbraw/zinc/99/50/68/1007995068.db2.gz RGJPOQIKZNQPSD-CQSZACIVSA-N 1 0 371.315 2.754 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@H]2CCN(c3ccc(F)cc3)C2)c1 ZINC000818974351 1008014693 /nfs/dbraw/zinc/01/46/93/1008014693.db2.gz LYVMUGBBBJTXIP-AUUYWEPGSA-N 1 0 359.401 2.883 20 5 FFBDRO Nc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000114694406 1008017986 /nfs/dbraw/zinc/01/79/86/1008017986.db2.gz YZQTXRFBWZGLLJ-MRXNPFEDSA-N 1 0 354.410 2.571 20 5 FFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCCc2ccc3c(c2)OCCO3)c1 ZINC000819153529 1008045201 /nfs/dbraw/zinc/04/52/01/1008045201.db2.gz HFZRVLICGARWLA-KRWDZBQOSA-N 1 0 358.394 2.622 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCOc2ccc(C(F)(F)F)cn2)c1 ZINC000819161022 1008052606 /nfs/dbraw/zinc/05/26/06/1008052606.db2.gz PUKFKGHVTIMGIQ-CQSZACIVSA-N 1 0 371.315 2.711 20 5 FFBDRO CC(=O)N1CC[C@@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC000819192464 1008062823 /nfs/dbraw/zinc/06/28/23/1008062823.db2.gz YQPKEXMSTYFWBD-IEBWSBKVSA-N 1 0 355.394 2.716 20 5 FFBDRO COc1ccccc1OC[C@@H](C)C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819195381 1008063823 /nfs/dbraw/zinc/06/38/23/1008063823.db2.gz BOZLGAVNYVGKBH-WMLDXEAASA-N 1 0 360.410 2.942 20 5 FFBDRO C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819235894 1008066905 /nfs/dbraw/zinc/06/69/05/1008066905.db2.gz YXGLVASVGRGKLU-CDHQVMDDSA-N 1 0 355.438 2.738 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]Cc2ccncc2OCC(F)(F)F)c1 ZINC000819285768 1008081525 /nfs/dbraw/zinc/08/15/25/1008081525.db2.gz ZQGGJSLDDMPRGE-CQSZACIVSA-N 1 0 371.315 2.754 20 5 FFBDRO COc1cc(C[NH2+]C[C@H]2COC3(CCCCCC3)O2)c([N+](=O)[O-])cc1O ZINC000776959573 1008202435 /nfs/dbraw/zinc/20/24/35/1008202435.db2.gz OUWAYMIPDATKEU-AWEZNQCLSA-N 1 0 366.414 2.865 20 5 FFBDRO O=C(N1CCCC[C@H]1[C@@H]1CC[NH2+]C1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857768241 1008204030 /nfs/dbraw/zinc/20/40/30/1008204030.db2.gz NPEOBSXSUUDZAA-DOMZBBRYSA-N 1 0 369.368 2.557 20 5 FFBDRO O=C(N1CCCC[C@@H]1[C@H]1CC[NH2+]C1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857768105 1008204165 /nfs/dbraw/zinc/20/41/65/1008204165.db2.gz MSPPRUXEHTUKJF-SWLSCSKDSA-N 1 0 369.368 2.557 20 5 FFBDRO CCOC(=O)C1=CC[C@H]([NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000858504158 1008371056 /nfs/dbraw/zinc/37/10/56/1008371056.db2.gz MDZCGNHAGJTSBR-WFASDCNBSA-N 1 0 361.398 2.553 20 5 FFBDRO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@](O)(c3ccccc3)C2)c2c(c1)COCO2 ZINC000859585453 1008575146 /nfs/dbraw/zinc/57/51/46/1008575146.db2.gz QNYGIMVKPPVLDO-FQEVSTJZSA-N 1 0 370.405 2.945 20 5 FFBDRO C[C@@H]1C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC[C@@H]1C(=O)OC(C)(C)C ZINC000859611384 1008586896 /nfs/dbraw/zinc/58/68/96/1008586896.db2.gz CVIQYZPVHPUPLL-COXVUDFISA-N 1 0 364.442 2.928 20 5 FFBDRO CN(C[C@@H](O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000823167592 1008954553 /nfs/dbraw/zinc/95/45/53/1008954553.db2.gz JSZJBGYZAWCOFL-ZDUSSCGKSA-N 1 0 367.446 2.647 20 5 FFBDRO C[NH+](C)CCCOc1ccc(NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)cc1 ZINC001136715021 1009049880 /nfs/dbraw/zinc/04/98/80/1009049880.db2.gz CPKBXBNFUOCQFZ-UHFFFAOYSA-N 1 0 367.793 2.554 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2nc(-c3ccc(OC4CC[NH2+]CC4)c(F)c3)no2)[nH]1 ZINC000823406674 1009058065 /nfs/dbraw/zinc/05/80/65/1009058065.db2.gz YWFVPLAQDJGWON-UHFFFAOYSA-N 1 0 373.344 2.910 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCCN1C(=O)c2ccccc2C1=O ZINC001178667996 1009074925 /nfs/dbraw/zinc/07/49/25/1009074925.db2.gz SBLYTCMXMRYLDU-UHFFFAOYSA-N 1 0 367.405 2.988 20 5 FFBDRO COC1(OC)CCOC[C@H]1CC[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC001179611151 1009378048 /nfs/dbraw/zinc/37/80/48/1009378048.db2.gz FINKYSLOGQRNBY-OAHLLOKOSA-N 1 0 352.431 2.717 20 5 FFBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134909221 1009500177 /nfs/dbraw/zinc/50/01/77/1009500177.db2.gz WCDXYMFMJJEDRK-IIDMSEBBSA-N 1 0 372.469 2.871 20 5 FFBDRO C[C@H]([NH2+][C@@H]1CCc2ccccc2OC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000509520289 1009534051 /nfs/dbraw/zinc/53/40/51/1009534051.db2.gz CHOMXCUOLPDUSM-XJKSGUPXSA-N 1 0 355.394 2.905 20 5 FFBDRO Cc1c(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000863032058 1010088667 /nfs/dbraw/zinc/08/86/67/1010088667.db2.gz DLQGLVJHCMUSSV-ZDUSSCGKSA-N 1 0 362.386 2.558 20 5 FFBDRO CCC1([NH+]2CCOCC2)CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000863492916 1010224357 /nfs/dbraw/zinc/22/43/57/1010224357.db2.gz OGQFTXAIJVCUDS-VMPITWQZSA-N 1 0 373.453 2.711 20 5 FFBDRO CC[C@@H]1CCCC[N@@H+]1CCN1C(=O)N[C@@](C)(c2cccc([N+](=O)[O-])c2)C1=O ZINC000863504688 1010231607 /nfs/dbraw/zinc/23/16/07/1010231607.db2.gz XKSFXMWPEZTFFY-BEFAXECRSA-N 1 0 374.441 2.626 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(-n3cncn3)nc1)CCC2 ZINC000774125017 1010483407 /nfs/dbraw/zinc/48/34/07/1010483407.db2.gz YHRNLRWZPKQDEH-KRWDZBQOSA-N 1 0 350.382 2.738 20 5 FFBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]C[C@@H]2CC3(CO2)CCOCC3)c1 ZINC000865780927 1010860677 /nfs/dbraw/zinc/86/06/77/1010860677.db2.gz TTYHSSOYPYIBMR-AWEZNQCLSA-N 1 0 372.368 2.872 20 5 FFBDRO C[C@@H]([NH2+]Cc1ccc(CN2CCNC2=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000866573731 1011018263 /nfs/dbraw/zinc/01/82/63/1011018263.db2.gz LZKQTDJXLXDBIM-CQSZACIVSA-N 1 0 354.410 2.971 20 5 FFBDRO C[C@@](N)(C(=O)N1CCC(OC2CCCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000867953208 1011130065 /nfs/dbraw/zinc/13/00/65/1011130065.db2.gz PVLRYANWZUYHNG-IBGZPJMESA-N 1 0 361.442 2.719 20 5 FFBDRO C[C@]1([NH3+])CCN(C(=O)c2cc(F)cc3c2[nH]c2ccc(F)cc2c3=O)C1 ZINC000868078832 1011160728 /nfs/dbraw/zinc/16/07/28/1011160728.db2.gz RQOTUKFCZYSOFA-IBGZPJMESA-N 1 0 357.360 2.523 20 5 FFBDRO C[C@@H]1CC[C@@H](C(N)=O)[C@@H](C)[N@@H+]1Cc1cccc([N+](=O)[O-])c1Br ZINC001171598182 1011396454 /nfs/dbraw/zinc/39/64/54/1011396454.db2.gz CIHNGXZTLHVDGV-CKYFFXLPSA-N 1 0 370.247 2.832 20 5 FFBDRO Cc1ccc(CNC(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000869053693 1011589697 /nfs/dbraw/zinc/58/96/97/1011589697.db2.gz RBNDTOPZOAQRGR-KRWDZBQOSA-N 1 0 360.458 2.777 20 5 FFBDRO COCCN(CC1CC[NH+](C)CC1)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000869764701 1011925141 /nfs/dbraw/zinc/92/51/41/1011925141.db2.gz WMISBKSAWGAYNV-UHFFFAOYSA-N 1 0 374.441 2.507 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]C1(CO)Cc3ccccc3C1)CC2 ZINC001172904296 1012076786 /nfs/dbraw/zinc/07/67/86/1012076786.db2.gz WROUJONGXPZVRX-LJQANCHMSA-N 1 0 352.434 2.962 20 5 FFBDRO Cc1cccn2c(C[NH2+][C@@H]3CCc4ccc([N+](=O)[O-])cc4CC3)nnc12 ZINC001172895307 1012095842 /nfs/dbraw/zinc/09/58/42/1012095842.db2.gz BXIQZZQJKNGMPQ-MRXNPFEDSA-N 1 0 351.410 2.983 20 5 FFBDRO COC(=O)c1cccnc1C[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172911222 1012123734 /nfs/dbraw/zinc/12/37/34/1012123734.db2.gz HSERHIIZAOCMTG-OAHLLOKOSA-N 1 0 355.394 2.814 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(N2CCC(N3CC([NH+]4CCCC4)C3)CC2)c(F)c1 ZINC001173016127 1012187333 /nfs/dbraw/zinc/18/73/33/1012187333.db2.gz BLNNKIOOBMGKHD-UHFFFAOYSA-N 1 0 366.412 2.622 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH+]3CC4(CSC4)C3)CC2)c(F)c1 ZINC001173017288 1012189739 /nfs/dbraw/zinc/18/97/39/1012189739.db2.gz BFWJBCCVSYNQKS-UHFFFAOYSA-N 1 0 355.410 2.891 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]Cc2cn3cccnc3n2)c1F ZINC001173175641 1012319199 /nfs/dbraw/zinc/31/91/99/1012319199.db2.gz QEUVNSWNBPTIMT-NSHDSACASA-N 1 0 359.361 2.506 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@H]2CCN(CC3CC3)C2)c1F ZINC001173177799 1012319454 /nfs/dbraw/zinc/31/94/54/1012319454.db2.gz DQPGCPGBGLDPJG-JSGCOSHPSA-N 1 0 351.422 2.747 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CCNC(=O)OC(C)(C)C)c1F ZINC001173176170 1012319851 /nfs/dbraw/zinc/31/98/51/1012319851.db2.gz ZRWFSMIHKTXTTQ-NSHDSACASA-N 1 0 371.409 2.788 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CCNC(=O)OC(C)(C)C)c1F ZINC001173176169 1012320065 /nfs/dbraw/zinc/32/00/65/1012320065.db2.gz ZRWFSMIHKTXTTQ-LLVKDONJSA-N 1 0 371.409 2.788 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@@H](CO)c2ccc(O)cc2)c1F ZINC001173181071 1012323507 /nfs/dbraw/zinc/32/35/07/1012323507.db2.gz BHVMNLRCBSKGRU-NHYWBVRUSA-N 1 0 364.373 2.702 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CCO[C@@H]2CCCCO2)c1F ZINC001173182722 1012326880 /nfs/dbraw/zinc/32/68/80/1012326880.db2.gz KXKOUHFOEVDYRP-BLLLJJGKSA-N 1 0 356.394 2.806 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CC[C@@]3(CC[N@H+](C)C3)C2)c1F ZINC001173192454 1012334915 /nfs/dbraw/zinc/33/49/15/1012334915.db2.gz LDFMQNNHLZSCTN-FZKQIMNGSA-N 1 0 351.422 2.701 20 5 FFBDRO COC(=O)C[C@@H]1CCC[N@@H+]([C@@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C1 ZINC001173198024 1012341248 /nfs/dbraw/zinc/34/12/48/1012341248.db2.gz XLHNYBCZBGNHFY-STQMWFEESA-N 1 0 368.405 2.949 20 5 FFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCCN(C(=O)C(F)(F)F)C1 ZINC001173221664 1012352164 /nfs/dbraw/zinc/35/21/64/1012352164.db2.gz OJYKDFLGKIAHGQ-WCQYABFASA-N 1 0 359.348 2.669 20 5 FFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cc(OC2CCOCC2)ncn1 ZINC001173223602 1012353826 /nfs/dbraw/zinc/35/38/26/1012353826.db2.gz IWFNXBIVBUCVIL-AWEZNQCLSA-N 1 0 372.425 2.663 20 5 FFBDRO COc1cccc(N2CC[NH+]([C@H](C)Cc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC001173231723 1012365340 /nfs/dbraw/zinc/36/53/40/1012365340.db2.gz CMYPXGKWRRULGL-OAHLLOKOSA-N 1 0 356.426 2.752 20 5 FFBDRO COc1ccc(OC[C@H](O)C[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001173212635 1012369141 /nfs/dbraw/zinc/36/91/41/1012369141.db2.gz BVAIDSDEGVHCOK-WMLDXEAASA-N 1 0 360.410 2.564 20 5 FFBDRO COc1ccnc(OC2CC[NH+]([C@@H](C)Cc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC001173237772 1012386744 /nfs/dbraw/zinc/38/67/44/1012386744.db2.gz MIPOFJFFKKMJNN-AWEZNQCLSA-N 1 0 372.425 2.868 20 5 FFBDRO C[C@H]1CCC[C@H]1[NH2+]C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001173690330 1012902403 /nfs/dbraw/zinc/90/24/03/1012902403.db2.gz OHRPDMCYKVUYJY-DZGCQCFKSA-N 1 0 367.471 2.526 20 5 FFBDRO CC(C)(C)OC(=O)N1CCC([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000749130932 1018350398 /nfs/dbraw/zinc/35/03/98/1018350398.db2.gz DYDHGAIGHNCZAR-INIZCTEOSA-N 1 0 365.430 2.617 20 5 FFBDRO Cn1nnc2c1C[C@@H]([NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)CC2 ZINC000927148634 1018379988 /nfs/dbraw/zinc/37/99/88/1018379988.db2.gz XHTBEVVLDCKWLS-OXJNMPFZSA-N 1 0 363.421 2.960 20 5 FFBDRO C[NH+](C)CC[C@@H](NC(=O)CCOc1ccccc1[N+](=O)[O-])c1cccnc1 ZINC000928836327 1019151317 /nfs/dbraw/zinc/15/13/17/1019151317.db2.gz NIOXFFINTSESBS-MRXNPFEDSA-N 1 0 372.425 2.568 20 5 FFBDRO COC(=O)[C@]12C[N@H+](C/C(C)=C\c3cccc([N+](=O)[O-])c3)C[C@H]1COCC2 ZINC000475546331 1019498921 /nfs/dbraw/zinc/49/89/21/1019498921.db2.gz DNEWQFQNXVHFCE-MSTXYJOUSA-N 1 0 360.410 2.510 20 5 FFBDRO COC(=O)/C(C)=C\C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000828806767 1032843980 /nfs/dbraw/zinc/84/39/80/1032843980.db2.gz DBXROCWSPMBIMD-SSIDCMFESA-N 1 0 362.426 2.820 20 5 FFBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000154247827 1020458046 /nfs/dbraw/zinc/45/80/46/1020458046.db2.gz FUOZPTCWXWRRKZ-GOSISDBHSA-N 1 0 374.416 2.833 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(O[C@@H]2CCC[NH2+]C[C@@H]2F)c(Br)c1 ZINC001217951757 1032916630 /nfs/dbraw/zinc/91/66/30/1032916630.db2.gz UVZQXJXJHLHLCM-WDEREUQCSA-N 1 0 351.147 2.965 20 5 FFBDRO CN(CCc1cccc([N+](=O)[O-])c1)CN1C(=O)CC2(CCCCC2)C1=O ZINC000800866295 1020610173 /nfs/dbraw/zinc/61/01/73/1020610173.db2.gz WYGXQLVNYYBISE-UHFFFAOYSA-N 1 0 359.426 2.736 20 5 FFBDRO C[NH2+][C@H]1C[C@H](Oc2cc(OC)cc3oc4ccc(OC)c(O)c4c(=O)c23)C1 ZINC001217954661 1032918958 /nfs/dbraw/zinc/91/89/58/1032918958.db2.gz HYUHTELRJNSHGW-UMSPYCQHSA-N 1 0 371.389 2.798 20 5 FFBDRO COc1cc([C@H](C)NCC2([NH+]3CCCC3)CCOCC2)cc([N+](=O)[O-])c1 ZINC000903090843 1020672670 /nfs/dbraw/zinc/67/26/70/1020672670.db2.gz IDGMDDPKSDBHCK-HNNXBMFYSA-N 1 0 363.458 2.899 20 5 FFBDRO COc1cc([C@@H](C)[NH2+]C2CCN(C[C@H]3CCCO3)CC2)cc([N+](=O)[O-])c1 ZINC000903096362 1020674492 /nfs/dbraw/zinc/67/44/92/1020674492.db2.gz BSSKFJZWTWLEJT-RDTXWAMCSA-N 1 0 363.458 2.897 20 5 FFBDRO O=C([C@H]1CC[C@@H]2CCCC[N@H+]12)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000900880325 1020697293 /nfs/dbraw/zinc/69/72/93/1020697293.db2.gz HMIUTHGGCCPKSK-HNAYVOBHSA-N 1 0 373.453 2.982 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H](c2ccn(C)n2)C1 ZINC000932133625 1020713947 /nfs/dbraw/zinc/71/39/47/1020713947.db2.gz FBJPOJAXTHJSFU-OAHLLOKOSA-N 1 0 371.441 2.845 20 5 FFBDRO C[NH+](C)CCN(Cc1ccccn1)C(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC000932210777 1020743324 /nfs/dbraw/zinc/74/33/24/1020743324.db2.gz DLHNFUGHNHWUMF-UHFFFAOYSA-N 1 0 374.416 2.652 20 5 FFBDRO CC[C@H](C)NC(=O)c1cccc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000749676902 1021019556 /nfs/dbraw/zinc/01/95/56/1021019556.db2.gz MZQZMTVFQKIVJZ-LIRRHRJNSA-N 1 0 371.437 2.946 20 5 FFBDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccc2c(c1)CCO2 ZINC000933488514 1021021675 /nfs/dbraw/zinc/02/16/75/1021021675.db2.gz MEMBKXDHYITTRN-CZUORRHYSA-N 1 0 358.394 2.620 20 5 FFBDRO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000749805266 1021039650 /nfs/dbraw/zinc/03/96/50/1021039650.db2.gz AABQUUOSXMJYJZ-OAHLLOKOSA-N 1 0 365.430 2.915 20 5 FFBDRO COc1ccc(OCCOC(=O)c2ccc3c[nH+]cn3c2C)c([N+](=O)[O-])c1 ZINC001116581844 1021293809 /nfs/dbraw/zinc/29/38/09/1021293809.db2.gz ZDHUHDANFDRUTF-UHFFFAOYSA-N 1 0 371.349 2.795 20 5 FFBDRO C[C@@H]1CCN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])C[C@H]1n1ccnc1 ZINC000934654448 1021324221 /nfs/dbraw/zinc/32/42/21/1021324221.db2.gz RXKFJJIZAFYAJO-CXAGYDPISA-N 1 0 360.389 2.973 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCCC[C@H]([C@H]2CCOC2)C1 ZINC000934838191 1021421720 /nfs/dbraw/zinc/42/17/20/1021421720.db2.gz IZMORKOSZXDOPO-HOTGVXAUSA-N 1 0 361.442 2.980 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCC[C@H]([C@@H]2CCOC2)C1 ZINC000934836972 1021422256 /nfs/dbraw/zinc/42/22/56/1021422256.db2.gz GUIPBEFTCXMJCB-JKSUJKDBSA-N 1 0 361.442 2.980 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](CO)CC1CCOCC1 ZINC001116801216 1021423153 /nfs/dbraw/zinc/42/31/53/1021423153.db2.gz TUBAEXDHKSCUCT-HNNXBMFYSA-N 1 0 352.431 2.508 20 5 FFBDRO Cc1ccc(C(=O)c2cc(O)c(O[C@@H]3CCC34C[NH2+]C4)c([N+](=O)[O-])c2)cc1 ZINC001218238804 1033063097 /nfs/dbraw/zinc/06/30/97/1033063097.db2.gz CPSMFWJHXNJVCM-QGZVFWFLSA-N 1 0 368.389 2.971 20 5 FFBDRO O=[N+]([O-])c1ccc(O[C@@H]2C[C@@H]3CC[NH2+][C@H]3C2)cc1I ZINC001218253467 1033070362 /nfs/dbraw/zinc/07/03/62/1033070362.db2.gz XLAITNNGDQLHGK-XRNSZHNASA-N 1 0 374.178 2.719 20 5 FFBDRO CC1(C)[C@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)[C@@H]2CCC[NH2+][C@H]21 ZINC001119306811 1022668574 /nfs/dbraw/zinc/66/85/74/1022668574.db2.gz HZZXWNCYVMIALE-KBRIMQKVSA-N 1 0 354.410 2.649 20 5 FFBDRO C/C(=C/C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000752029346 1023029353 /nfs/dbraw/zinc/02/93/53/1023029353.db2.gz DPJZJZSKFKIQSY-XXTMNZORSA-N 1 0 361.442 2.567 20 5 FFBDRO C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N)C[N@@H+]1Cc1ccccc1 ZINC000188328595 1023054769 /nfs/dbraw/zinc/05/47/69/1023054769.db2.gz AJKOXLSZBHKRKE-HIFRSBDPSA-N 1 0 354.410 2.570 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001122323143 1023189028 /nfs/dbraw/zinc/18/90/28/1023189028.db2.gz HRTSWADVYSCQKD-SJKOYZFVSA-N 1 0 367.833 2.760 20 5 FFBDRO O=[N+]([O-])c1ccc(NCC[NH2+]C[C@@H](O)COc2ccc(Cl)cc2)cc1 ZINC001120558276 1023359998 /nfs/dbraw/zinc/35/99/98/1023359998.db2.gz DAUJJBSVFFIRAB-MRXNPFEDSA-N 1 0 365.817 2.690 20 5 FFBDRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000754121276 1023428716 /nfs/dbraw/zinc/42/87/16/1023428716.db2.gz BGKSAFAKMWXNRJ-IGOJGBNBSA-N 1 0 374.485 2.658 20 5 FFBDRO CC(C)[C@@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1nnc2ccccn21 ZINC000754192470 1023437715 /nfs/dbraw/zinc/43/77/15/1023437715.db2.gz WZGPCHULGXTFDM-DOTOQJQBSA-N 1 0 355.398 2.658 20 5 FFBDRO C[C@@H]1CC[C@H](Oc2c(I)cccc2[N+](=O)[O-])C[NH2+]1 ZINC001218407812 1033141211 /nfs/dbraw/zinc/14/12/11/1033141211.db2.gz RMOBLAZGSGRBRN-BDAKNGLRSA-N 1 0 362.167 2.719 20 5 FFBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000755512544 1023606047 /nfs/dbraw/zinc/60/60/47/1023606047.db2.gz MQUFMUPDRBOMSI-JRJUITNWSA-N 1 0 373.453 2.711 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)CCc3cc(F)ccc3[N+](=O)[O-])C[C@H]2C1 ZINC001121237587 1023663093 /nfs/dbraw/zinc/66/30/93/1023663093.db2.gz CPJZZTGJXVGXFC-ZMSDIMECSA-N 1 0 363.433 2.855 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@]34C[N@H+](C)C[C@@]3(C2)CCCC4)c1 ZINC001121275999 1023683974 /nfs/dbraw/zinc/68/39/74/1023683974.db2.gz CAJPSHAILJIQAA-KDURUIRLSA-N 1 0 359.426 2.551 20 5 FFBDRO C[C@@H](C(=O)NC1CCN(c2cc[nH+]cc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC001121301278 1023696061 /nfs/dbraw/zinc/69/60/61/1023696061.db2.gz XXAKGSCJHYYJQN-CQSZACIVSA-N 1 0 354.410 2.879 20 5 FFBDRO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)[C@H]2C1 ZINC001123302015 1023731445 /nfs/dbraw/zinc/73/14/45/1023731445.db2.gz VGULQNHDBBOSEU-ZMLRMANQSA-N 1 0 370.356 2.658 20 5 FFBDRO O=C(CC[NH2+][C@@H]1Cc2cccc(O)c2C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000759693625 1024724432 /nfs/dbraw/zinc/72/44/32/1024724432.db2.gz VLWQJBZNNDMVET-GFCCVEGCSA-N 1 0 359.357 2.525 20 5 FFBDRO CC/C=C\CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001101540551 1024885223 /nfs/dbraw/zinc/88/52/23/1024885223.db2.gz JIWIKDGPJIMKEM-MBZYTVFJSA-N 1 0 351.491 2.862 20 5 FFBDRO CCCCCNC(=O)[C@H](C)OC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000838100518 1026208543 /nfs/dbraw/zinc/20/85/43/1026208543.db2.gz FHWLLZRKYIUGMB-ZDUSSCGKSA-N 1 0 374.397 2.632 20 5 FFBDRO COc1cc(C)nc(NC2CC[NH+](CC3CCOCC3)CC2)c1[N+](=O)[O-] ZINC001161211506 1026234274 /nfs/dbraw/zinc/23/42/74/1026234274.db2.gz BNPVRKXNVQZUGS-UHFFFAOYSA-N 1 0 364.446 2.610 20 5 FFBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC001141534345 1026526194 /nfs/dbraw/zinc/52/61/94/1026526194.db2.gz MJIMBMVGWNUVIM-VIFPVBQESA-N 1 0 358.801 2.574 20 5 FFBDRO CO[C@H]1c2ccccc2C[C@H]1[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000839629714 1026766604 /nfs/dbraw/zinc/76/66/04/1026766604.db2.gz UAHUWTAYPGXSBX-MJGOQNOKSA-N 1 0 373.384 2.965 20 5 FFBDRO COc1ccc(CC(=O)Nc2ccc(C[NH+](C)C)cc2F)cc1[N+](=O)[O-] ZINC000839823617 1026839081 /nfs/dbraw/zinc/83/90/81/1026839081.db2.gz NNNFEUKLNWZQRN-UHFFFAOYSA-N 1 0 361.373 2.985 20 5 FFBDRO CSc1nc(Cl)nc(-n2cc(CC[NH3+])c3ncccc32)c1[N+](=O)[O-] ZINC001158748486 1027120163 /nfs/dbraw/zinc/12/01/63/1027120163.db2.gz DIWNKLBDDAMCSN-UHFFFAOYSA-N 1 0 364.818 2.600 20 5 FFBDRO O=[N+]([O-])c1cnc(Cl)nc1N1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001159009973 1027227182 /nfs/dbraw/zinc/22/71/82/1027227182.db2.gz UBPCDGPMNVTVIH-UHFFFAOYSA-N 1 0 359.817 2.680 20 5 FFBDRO COC(=O)c1cccc([C@H]2C[NH2+]CCN2c2nc(C)cc(C)c2[N+](=O)[O-])c1 ZINC001159055328 1027249006 /nfs/dbraw/zinc/24/90/06/1027249006.db2.gz WZZWGSKGJHXKBU-MRXNPFEDSA-N 1 0 370.409 2.544 20 5 FFBDRO O=[N+]([O-])c1cnc(N[C@@H](c2ccccc2)C(F)(F)F)nc1C1C[NH2+]C1 ZINC001159773619 1027495650 /nfs/dbraw/zinc/49/56/50/1027495650.db2.gz XSZWHVYOMKBEOX-ZDUSSCGKSA-N 1 0 353.304 2.787 20 5 FFBDRO O=[N+]([O-])c1cnc(NCCc2ccccc2C(F)(F)F)nc1C1C[NH2+]C1 ZINC001159899870 1027528592 /nfs/dbraw/zinc/52/85/92/1027528592.db2.gz IAUIVPYINPMBNW-UHFFFAOYSA-N 1 0 367.331 2.745 20 5 FFBDRO [NH3+]Cc1ccc2cn(-c3nc(Cl)nc4ccc([N+](=O)[O-])cc43)nc2c1 ZINC001160141228 1027608949 /nfs/dbraw/zinc/60/89/49/1027608949.db2.gz YYWOGAMXLCIVQH-UHFFFAOYSA-N 1 0 354.757 2.989 20 5 FFBDRO [NH3+]Cc1cc(-c2ccncc2)nn1-c1ccc(-c2ccc([N+](=O)[O-])cc2)nn1 ZINC001160339487 1027682260 /nfs/dbraw/zinc/68/22/60/1027682260.db2.gz LDIFVFJHSGVVHG-UHFFFAOYSA-N 1 0 373.376 2.758 20 5 FFBDRO CC[C@H](C)C1CCC(Nc2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])CC1 ZINC001160668132 1027793173 /nfs/dbraw/zinc/79/31/73/1027793173.db2.gz SKTJLOFIOTWLFC-NFOMZHRRSA-N 1 0 362.478 2.811 20 5 FFBDRO Cc1nn(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)c(C)c1[N+](=O)[O-] ZINC000795690972 1027814052 /nfs/dbraw/zinc/81/40/52/1027814052.db2.gz BTNPHBLLINVNRF-SQNIBIBYSA-N 1 0 356.426 2.870 20 5 FFBDRO [NH3+]Cc1cc2ccncc2n1-c1ccc(-c2ccc(F)c([N+](=O)[O-])c2)nn1 ZINC001160962467 1027950078 /nfs/dbraw/zinc/95/00/78/1027950078.db2.gz JWTOIKPPFPETRH-UHFFFAOYSA-N 1 0 364.340 2.989 20 5 FFBDRO O=[N+]([O-])c1cnc(NC2CC[NH+](Cc3ccc(O)cc3)CC2)c([N+](=O)[O-])c1 ZINC001161131998 1028030135 /nfs/dbraw/zinc/03/01/35/1028030135.db2.gz VYNHOTICNXQJDR-UHFFFAOYSA-N 1 0 373.369 2.680 20 5 FFBDRO COC(=O)c1cccc(C[NH+]2CCC(Nc3cc([N+](=O)[O-])ccn3)CC2)c1 ZINC001161169458 1028049612 /nfs/dbraw/zinc/04/96/12/1028049612.db2.gz IACVWHVWJZMZRR-UHFFFAOYSA-N 1 0 370.409 2.853 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])cnc1NCC1CC[NH+](CC2CCC2)CC1 ZINC001161228890 1028083513 /nfs/dbraw/zinc/08/35/13/1028083513.db2.gz CAWVVYIKQDGFOR-UHFFFAOYSA-N 1 0 362.430 2.700 20 5 FFBDRO O=[N+]([O-])c1c[nH]c2ccc(NC3(Cc4ccccn4)CC[NH2+]CC3)nc21 ZINC001161495290 1028201083 /nfs/dbraw/zinc/20/10/83/1028201083.db2.gz HGSFXSKLULFYDV-UHFFFAOYSA-N 1 0 352.398 2.643 20 5 FFBDRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)Nc1nccc2cc([N+](=O)[O-])ccc21 ZINC001161549975 1028225185 /nfs/dbraw/zinc/22/51/85/1028225185.db2.gz GYFJNGMIEAMKQQ-QGZVFWFLSA-N 1 0 372.425 2.875 20 5 FFBDRO O=[N+]([O-])c1cnc(NCCc2cccc(Cl)c2F)nc1C1C[NH2+]C1 ZINC001161985807 1028382382 /nfs/dbraw/zinc/38/23/82/1028382382.db2.gz QCOIPZIQRLLCQD-UHFFFAOYSA-N 1 0 351.769 2.519 20 5 FFBDRO COc1cc(C)nc(N2CCC([NH3+])(Cc3ccccc3F)CC2)c1[N+](=O)[O-] ZINC001161988036 1028385143 /nfs/dbraw/zinc/38/51/43/1028385143.db2.gz WQFRHLXGWXABBK-UHFFFAOYSA-N 1 0 374.416 2.986 20 5 FFBDRO CCc1cc(NC2C[NH+](C(C)(C)C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001162226857 1028474182 /nfs/dbraw/zinc/47/41/82/1028474182.db2.gz XWBQGPUSEYIUGA-UHFFFAOYSA-N 1 0 355.442 2.931 20 5 FFBDRO Nc1nc(NCCCP(CCC[NH3+])c2ccccc2)ccc1[N+](=O)[O-] ZINC001162467766 1028548368 /nfs/dbraw/zinc/54/83/68/1028548368.db2.gz YNNPUTLNTJQATP-UHFFFAOYSA-N 1 0 361.386 2.530 20 5 FFBDRO O=[N+]([O-])c1cc(C(F)(F)NC[C@@]2(F)CCCC[NH2+]C2)cnc1Cl ZINC001155116320 1028585601 /nfs/dbraw/zinc/58/56/01/1028585601.db2.gz XVIHHVXQNGODCL-GFCCVEGCSA-N 1 0 352.744 2.764 20 5 FFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N(CC[NH2+]Cc1ccccc1)CCc1ccccc1 ZINC001162810364 1028664324 /nfs/dbraw/zinc/66/43/24/1028664324.db2.gz JUHQANLDNALGKH-WOJBJXKFSA-N 1 0 367.449 2.513 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])c(NCc2ccc3c(c2)CC[NH2+]C3)cc1OC ZINC001162809676 1028664560 /nfs/dbraw/zinc/66/45/60/1028664560.db2.gz GYGKGEAHXNEZDQ-UHFFFAOYSA-N 1 0 371.393 2.648 20 5 FFBDRO CN1CCc2c(NC[C@@H]3CCC4(CC[NH2+]CC4)CO3)ccc([N+](=O)[O-])c2C1 ZINC001162966711 1028738493 /nfs/dbraw/zinc/73/84/93/1028738493.db2.gz IHCYFZQXQWXJEQ-HNNXBMFYSA-N 1 0 374.485 2.543 20 5 FFBDRO C[C@H](CN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)[NH+]1CCCCC1 ZINC000780763425 1028799706 /nfs/dbraw/zinc/79/97/06/1028799706.db2.gz BZCASKLTVYQNMG-QAPCUYQASA-N 1 0 357.458 2.882 20 5 FFBDRO Cc1cc(N[C@H]2CCO[C@]3(CC[NH2+]C3)C2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001163317260 1028891146 /nfs/dbraw/zinc/89/11/46/1028891146.db2.gz UPCMBZIEUILPRS-HNAYVOBHSA-N 1 0 369.425 2.683 20 5 FFBDRO Cc1cc(N[C@H]2CCO[C@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])cc1Br ZINC001163329077 1028897006 /nfs/dbraw/zinc/89/70/06/1028897006.db2.gz WCCWQJANAOJPGX-XHDPSFHLSA-N 1 0 370.247 2.989 20 5 FFBDRO O=[N+]([O-])c1cnc(N[C@H](c2ccccc2)c2ccncc2)nc1C1C[NH2+]C1 ZINC001156099020 1029045438 /nfs/dbraw/zinc/04/54/38/1029045438.db2.gz LSLSMTQFUYGKTR-QGZVFWFLSA-N 1 0 362.393 2.668 20 5 FFBDRO C[C@H](C[NH+](C)C)Nc1c2ccc(Br)cc2ncc1[N+](=O)[O-] ZINC001163776898 1029059062 /nfs/dbraw/zinc/05/90/62/1029059062.db2.gz OEABMKWVNOXOOP-SECBINFHSA-N 1 0 353.220 2.689 20 5 FFBDRO Nc1cc(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)ncc1[N+](=O)[O-] ZINC001156317357 1029141477 /nfs/dbraw/zinc/14/14/77/1029141477.db2.gz LYJUSNZELZZLQZ-BFYDXBDKSA-N 1 0 353.426 2.895 20 5 FFBDRO C[C@H]1CC[C@H](C[NH3+])N(c2nc(C(F)(F)F)nc(Cl)c2[N+](=O)[O-])C1 ZINC001164073314 1029164305 /nfs/dbraw/zinc/16/43/05/1029164305.db2.gz JQMNHPOFVCRVMD-NKWVEPMBSA-N 1 0 353.732 2.621 20 5 FFBDRO Cc1cc(N2CC([NH2+]C3CCOCC3)C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC001164130947 1029181470 /nfs/dbraw/zinc/18/14/70/1029181470.db2.gz GQVUIUOFIXHTSD-UHFFFAOYSA-N 1 0 359.348 2.879 20 5 FFBDRO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CCC[C@](C)(C[NH3+])CC1 ZINC001164242429 1029215059 /nfs/dbraw/zinc/21/50/59/1029215059.db2.gz KQYWKEAJEQAMJY-INIZCTEOSA-N 1 0 370.837 2.775 20 5 FFBDRO [NH3+]CC1(N(Cc2ccccc2)c2ccc3c(cccc3[N+](=O)[O-])n2)COC1 ZINC001156631718 1029277707 /nfs/dbraw/zinc/27/77/07/1029277707.db2.gz CZDQFZFBLDVTGT-UHFFFAOYSA-N 1 0 364.405 2.877 20 5 FFBDRO O=C(NCCC1(C[NH2+]Cc2ccc(Cl)cc2F)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001164490159 1029295125 /nfs/dbraw/zinc/29/51/25/1029295125.db2.gz ACTWXGBWLXHWBA-UKRRQHHQSA-N 1 0 369.824 2.520 20 5 FFBDRO COc1cc(N2C[C@H]3[C@@H](CC[N@@H+]3Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC001165086714 1029374990 /nfs/dbraw/zinc/37/49/90/1029374990.db2.gz OBMGJZQUKRTGPO-RDJZCZTQSA-N 1 0 354.410 2.709 20 5 FFBDRO C[NH2+]CCNC(F)(F)c1cc(-c2ccccc2[N+](=O)[O-])nnc1Cl ZINC001156897108 1029395933 /nfs/dbraw/zinc/39/59/33/1029395933.db2.gz BHSVFSKPWMLUGT-UHFFFAOYSA-N 1 0 357.748 2.564 20 5 FFBDRO O=[N+]([O-])c1cc(-c2ccc(NCC[NH+]3CCSCC3)nn2)ccc1F ZINC001157050629 1029450738 /nfs/dbraw/zinc/45/07/38/1029450738.db2.gz XFKAFEZALBHBMI-UHFFFAOYSA-N 1 0 363.418 2.652 20 5 FFBDRO COc1nc(-n2nc(C3CC[NH2+]CC3)c3ccccc32)ccc1[N+](=O)[O-] ZINC001157377795 1029569208 /nfs/dbraw/zinc/56/92/08/1029569208.db2.gz QSQQIIAQHXRIJH-UHFFFAOYSA-N 1 0 353.382 2.804 20 5 FFBDRO O=[N+]([O-])c1cn(C[N@@H+]2CC[C@@H](Cc3ccncc3)C2)nc1-c1ccncc1 ZINC000782292004 1029644537 /nfs/dbraw/zinc/64/45/37/1029644537.db2.gz UKHYBTLJRIEMJE-INIZCTEOSA-N 1 0 364.409 2.770 20 5 FFBDRO CCOc1nc(N(c2cccc(OC)n2)C2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC001158054299 1029720566 /nfs/dbraw/zinc/72/05/66/1029720566.db2.gz PFTATBCXAGSQRE-UHFFFAOYSA-N 1 0 373.413 2.682 20 5 FFBDRO Cc1ccnc(OC2CC[NH+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000782513625 1029727288 /nfs/dbraw/zinc/72/72/88/1029727288.db2.gz DZYZRNDPVPEKDT-GOSISDBHSA-N 1 0 357.410 2.875 20 5 FFBDRO COc1ccc2c(c1)c(CC[NH3+])c(C)n2-c1ncc(OC)cc1[N+](=O)[O-] ZINC001158297246 1029789739 /nfs/dbraw/zinc/78/97/39/1029789739.db2.gz XLNPAIGZHTWLND-UHFFFAOYSA-N 1 0 356.382 2.761 20 5 FFBDRO [NH3+]Cc1cccc2c1cnn2-c1ccc(-c2ccc(F)c([N+](=O)[O-])c2)nn1 ZINC001158312487 1029794836 /nfs/dbraw/zinc/79/48/36/1029794836.db2.gz HMKQVKHHIGJDGD-UHFFFAOYSA-N 1 0 364.340 2.989 20 5 FFBDRO Cc1c([C@H](C)[NH2+]CC(C)(C)[C@H]2COCC23OCCO3)cccc1[N+](=O)[O-] ZINC000840805175 1029885751 /nfs/dbraw/zinc/88/57/51/1029885751.db2.gz ZTAXOBDVTLBMGP-WMLDXEAASA-N 1 0 364.442 2.970 20 5 FFBDRO CN(C)/C=C/c1cc(N2C[C@H]3c4ccccc4C[NH2+][C@@H]3C2)ncc1[N+](=O)[O-] ZINC001165351035 1029953694 /nfs/dbraw/zinc/95/36/94/1029953694.db2.gz NKPNMAHLWMVWLK-KBSZCIAZSA-N 1 0 365.437 2.598 20 5 FFBDRO COc1cc(N2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)ncc1[N+](=O)[O-] ZINC001165422468 1029974827 /nfs/dbraw/zinc/97/48/27/1029974827.db2.gz UGNNIBISPOQQOC-BEFAXECRSA-N 1 0 354.410 2.582 20 5 FFBDRO COc1cnc(N([C@@H]2COC3(C2)CC[NH2+]CC3)C(C)(C)C)c([N+](=O)[O-])c1 ZINC001165669535 1030076033 /nfs/dbraw/zinc/07/60/33/1030076033.db2.gz KTNPNHAOYYGROW-ZDUSSCGKSA-N 1 0 364.446 2.514 20 5 FFBDRO CC(C)(C)N(c1ccc2[nH]cc([N+](=O)[O-])c2n1)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001165670714 1030077394 /nfs/dbraw/zinc/07/73/94/1030077394.db2.gz UAVDNFCTARIMJK-ZDUSSCGKSA-N 1 0 373.457 2.987 20 5 FFBDRO Nc1ccc(C(=O)O[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000783442855 1030100688 /nfs/dbraw/zinc/10/06/88/1030100688.db2.gz AGYNIVNPOIUUKF-INIZCTEOSA-N 1 0 355.394 2.998 20 5 FFBDRO CS(=O)(=O)N(c1cccc(C[NH3+])c1)c1ccc2cc([N+](=O)[O-])ccc2n1 ZINC001166452940 1030409795 /nfs/dbraw/zinc/40/97/95/1030409795.db2.gz OMNUCTVSTTWHOR-UHFFFAOYSA-N 1 0 372.406 2.699 20 5 FFBDRO Cc1c(C[NH2+][C@H]2C[C@H](S(=O)(=O)c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC001203421639 1030691075 /nfs/dbraw/zinc/69/10/75/1030691075.db2.gz AQJWAZMLPDVLRG-JCNLHEQBSA-N 1 0 360.435 2.998 20 5 FFBDRO CN(C(=O)[C@H]1CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1)c1ccccc1 ZINC000797530176 1031144389 /nfs/dbraw/zinc/14/43/89/1031144389.db2.gz PQLFLRLONXYTLZ-QFBILLFUSA-N 1 0 369.421 2.613 20 5 FFBDRO COc1cc(Cc2noc(CC3C[C@H]4CC[C@@H](C3)[NH2+]4)n2)ccc1[N+](=O)[O-] ZINC000843191031 1031232902 /nfs/dbraw/zinc/23/29/02/1031232902.db2.gz ALAGWFYWAPHAIG-AGUYFDCRSA-N 1 0 358.398 2.650 20 5 FFBDRO COc1cc(Cc2noc(C[C@H](C)[C@H]3CCC[NH2+]C3)n2)ccc1[N+](=O)[O-] ZINC000843191728 1031235502 /nfs/dbraw/zinc/23/55/02/1031235502.db2.gz LFBUJORBGIFNJI-JSGCOSHPSA-N 1 0 360.414 2.755 20 5 FFBDRO [NH3+][C@@H]1CCN([C@@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)C1 ZINC000843344732 1031339156 /nfs/dbraw/zinc/33/91/56/1031339156.db2.gz UBPAQWWQGHAXQM-CXAGYDPISA-N 1 0 374.828 2.961 20 5 FFBDRO Cc1c([N+](=O)[O-])cc(C(=O)N(CCC[NH3+])CC2CCCC2)cc1[N+](=O)[O-] ZINC000843476776 1031418979 /nfs/dbraw/zinc/41/89/79/1031418979.db2.gz KKCNQSZOFXMNJK-UHFFFAOYSA-N 1 0 364.402 2.793 20 5 FFBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1ccc3c(c1)CC[NH2+]CC3)CC2 ZINC000843493609 1031428739 /nfs/dbraw/zinc/42/87/39/1031428739.db2.gz FPUZAELCZDVDIV-UHFFFAOYSA-N 1 0 351.406 2.794 20 5 FFBDRO Cn1c(C(=O)NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000798523612 1031445587 /nfs/dbraw/zinc/44/55/87/1031445587.db2.gz LIKBMVJFEGYSBS-LJQANCHMSA-N 1 0 356.426 2.575 20 5 FFBDRO O=[N+]([O-])c1ccc(C(F)(F)c2nc(-c3ccc4c(n3)CC[NH2+]C4)no2)cc1 ZINC001205080624 1031511408 /nfs/dbraw/zinc/51/14/08/1031511408.db2.gz DVGAEAXDEOGLHF-UHFFFAOYSA-N 1 0 373.319 2.826 20 5 FFBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CC[C@H](c2ccccn2)C1 ZINC000799192513 1031688937 /nfs/dbraw/zinc/68/89/37/1031688937.db2.gz YVKMPUOKRKOZCV-AWEZNQCLSA-N 1 0 368.393 2.777 20 5 FFBDRO CN(C)c1cc(F)c(C(=O)NCC(C)(C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000830344847 1033582585 /nfs/dbraw/zinc/58/25/85/1033582585.db2.gz ZRJFGLCXQHWFDN-UHFFFAOYSA-N 1 0 366.437 2.652 20 5 FFBDRO CN(C)c1cc(F)c(C(=O)NC2CC([NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000830996049 1033905392 /nfs/dbraw/zinc/90/53/92/1033905392.db2.gz RVVVLBMAENVMQJ-UHFFFAOYSA-N 1 0 364.421 2.547 20 5 FFBDRO C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CC(NC(=O)OC(C)(C)C)C1 ZINC000831237301 1034005099 /nfs/dbraw/zinc/00/50/99/1034005099.db2.gz PRZXQNXLJDPFID-BCLQGDPASA-N 1 0 365.430 2.616 20 5 FFBDRO COC(=O)CCCCCCCCCCOC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001224917089 1034057080 /nfs/dbraw/zinc/05/70/80/1034057080.db2.gz IJZGJSDOLHHKLI-QGZVFWFLSA-N 1 0 360.515 2.671 20 5 FFBDRO [NH2+]=C(Cc1ccc(O[C@H]2CCN(c3ccccc3[N+](=O)[O-])C2)cc1)NO ZINC001225546080 1034299869 /nfs/dbraw/zinc/29/98/69/1034299869.db2.gz LECZBRRXWZNHPL-HNNXBMFYSA-N 1 0 356.382 2.751 20 5 FFBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 ZINC001225974346 1034474005 /nfs/dbraw/zinc/47/40/05/1034474005.db2.gz XQDTWGWPIUWHNF-QGZVFWFLSA-N 1 0 359.402 2.624 20 5 FFBDRO COC(=O)c1cc(O[C@H]2CCC[N@@H+](C(C)C)C2)c(OC)cc1[N+](=O)[O-] ZINC001226438545 1034684773 /nfs/dbraw/zinc/68/47/73/1034684773.db2.gz HNIKBVHWDYVJBN-LBPRGKRZSA-N 1 0 352.387 2.642 20 5 FFBDRO COC(=O)c1cccc([N+](=O)[O-])c1OC1CCN(c2cc[nH+]cc2)CC1 ZINC001227122472 1034940000 /nfs/dbraw/zinc/94/00/00/1034940000.db2.gz QFOVBZMQFQRAPS-UHFFFAOYSA-N 1 0 357.366 2.824 20 5 FFBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1cc(F)c([N+](=O)[O-])cc1NC(C)=O ZINC000832976081 1035047187 /nfs/dbraw/zinc/04/71/87/1035047187.db2.gz VKAXCPQPVFNUPL-NSHDSACASA-N 1 0 368.409 2.543 20 5 FFBDRO CC1([NH+]2CCC2)CCC(NC(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000834799232 1035452443 /nfs/dbraw/zinc/45/24/43/1035452443.db2.gz KCYLWBHKHRQGHN-UHFFFAOYSA-N 1 0 360.458 2.920 20 5 FFBDRO COCC[NH+]1CCC(Oc2ncnc3cc(Cl)c([N+](=O)[O-])cc32)CC1 ZINC001227363328 1035518443 /nfs/dbraw/zinc/51/84/43/1035518443.db2.gz BJLROIJSXKIREN-UHFFFAOYSA-N 1 0 366.805 2.681 20 5 FFBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1nc2ccc(C(F)(F)F)cc2s1 ZINC001229879185 1036955958 /nfs/dbraw/zinc/95/59/58/1036955958.db2.gz TVKXLWQYIONMMJ-SNVBAGLBSA-N 1 0 363.381 2.678 20 5 FFBDRO C[C@@H](C[N+](C)(C)C)Oc1c(I)cccc1[N+](=O)[O-] ZINC001229881678 1036957414 /nfs/dbraw/zinc/95/74/14/1036957414.db2.gz FUCNUAFKCADFOJ-VIFPVBQESA-N 1 0 365.191 2.673 20 5 FFBDRO O=[N+]([O-])c1cc(O[C@H]2C[NH+]3CCC2CC3)ccc1I ZINC001229951741 1036995671 /nfs/dbraw/zinc/99/56/71/1036995671.db2.gz RVKJHTLTMLQWGS-ZDUSSCGKSA-N 1 0 374.178 2.672 20 5 FFBDRO CCOC(=O)c1ccc(Br)c(O)c1O[C@@H](C)C[N+](C)(C)C ZINC001234609631 1037111021 /nfs/dbraw/zinc/11/10/21/1037111021.db2.gz RAMARUIMNWHDAH-JTQLQIEISA-O 1 0 361.256 2.805 20 5 FFBDRO CC[NH+](CC)C[C@@H](C)Oc1c(C(C)=O)ccc(NC(C)=O)c1[N+](=O)[O-] ZINC001234682347 1037139047 /nfs/dbraw/zinc/13/90/47/1037139047.db2.gz RJPRLURSTKWZEY-LLVKDONJSA-N 1 0 351.403 2.865 20 5 FFBDRO COc1c(O[C@H](C)C[NH+](C)C)c2nccc3c4ccccc4n(c32)c1=O ZINC001234724255 1037156405 /nfs/dbraw/zinc/15/64/05/1037156405.db2.gz ZFKMAXHOTLWKCV-GFCCVEGCSA-N 1 0 351.406 2.776 20 5 FFBDRO COc1c(O)ccc2c(=O)c3c(O[C@@H](C)C[N+](C)(C)C)cc(O)cc3oc21 ZINC001234750945 1037167506 /nfs/dbraw/zinc/16/75/06/1037167506.db2.gz ISCBYBVAEOODCA-NSHDSACASA-O 1 0 374.413 2.840 20 5 FFBDRO COc1c(O)ccc2c(=O)c3c(O[C@H](C)C[N+](C)(C)C)cc(O)cc3oc21 ZINC001234750941 1037167693 /nfs/dbraw/zinc/16/76/93/1037167693.db2.gz ISCBYBVAEOODCA-LLVKDONJSA-O 1 0 374.413 2.840 20 5 FFBDRO COc1cc(O[C@H](C)C[NH+](C)C)c2c(c1)oc1ccc(OC)c(O)c1c2=O ZINC001230525601 1037303092 /nfs/dbraw/zinc/30/30/92/1037303092.db2.gz HOUHHYFBSRJGNH-LLVKDONJSA-N 1 0 373.405 2.998 20 5 FFBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cc(Br)cc(F)c1Cl ZINC001230689300 1037335453 /nfs/dbraw/zinc/33/54/53/1037335453.db2.gz ZIPLYKIYDXCYCC-SECBINFHSA-N 1 0 369.638 2.604 20 5 FFBDRO COc1cc(N2CCC([N@@H+]3CCC[C@H](C)[C@@H]3CO)CC2)ccc1[N+](=O)[O-] ZINC001256092954 1038380583 /nfs/dbraw/zinc/38/05/83/1038380583.db2.gz CFALUFULMPRPMP-KSSFIOAISA-N 1 0 363.458 2.665 20 5 FFBDRO C[NH2+]CCN(C1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1)C(C)(C)C ZINC001256101223 1038385516 /nfs/dbraw/zinc/38/55/16/1038385516.db2.gz CRMWGNXSHWEKIX-UHFFFAOYSA-N 1 0 364.490 2.892 20 5 FFBDRO COc1cc(N2CCC(n3ccc4c3CC[NH2+]C4)CC2)ccc1[N+](=O)[O-] ZINC001256101595 1038386907 /nfs/dbraw/zinc/38/69/07/1038386907.db2.gz PGOPNXPFOIEWLG-UHFFFAOYSA-N 1 0 356.426 2.892 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CCC[C@@]23CCC[NH2+]C3)c1F ZINC001246609670 1039414583 /nfs/dbraw/zinc/41/45/83/1039414583.db2.gz MMRMEVSYINBMOP-FZKQIMNGSA-N 1 0 351.422 2.892 20 5 FFBDRO COCCCN([C@@H]1CCC[NH2+]C1)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001246807343 1039486332 /nfs/dbraw/zinc/48/63/32/1039486332.db2.gz JISSIVKFZKXFHD-UYAOXDASSA-N 1 0 361.486 2.933 20 5 FFBDRO COC(=O)[C@H](O)CNc1cc2oc3cc(=[NH2+])ccc-3nc2c2ccccc12 ZINC001252435124 1039538746 /nfs/dbraw/zinc/53/87/46/1039538746.db2.gz UNDOEPYQOLADEP-MRXNPFEDSA-N 1 0 363.373 2.511 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CC(F)(F)CC[C@@H]2C[NH3+])c1F ZINC001246984840 1039563000 /nfs/dbraw/zinc/56/30/00/1039563000.db2.gz HSJRDFODHIIHGH-GHMZBOCLSA-N 1 0 361.364 2.732 20 5 FFBDRO CC(=O)N1CCN(c2cc[nH+]cc2Nc2ccc(F)c([N+](=O)[O-])c2)CC1 ZINC001211191679 1039988636 /nfs/dbraw/zinc/98/86/36/1039988636.db2.gz ZWRMSDBBFNHRAX-UHFFFAOYSA-N 1 0 359.361 2.541 20 5 FFBDRO Cc1cc(NC(=O)c2ccccc2N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001254227257 1040623239 /nfs/dbraw/zinc/62/32/39/1040623239.db2.gz BJTNUQVOTHRVGL-UHFFFAOYSA-N 1 0 354.410 2.907 20 5 FFBDRO COCOc1ccccc1-c1noc(C[C@@H]([NH3+])c2ccccc2[N+](=O)[O-])n1 ZINC001249342804 1040692878 /nfs/dbraw/zinc/69/28/78/1040692878.db2.gz UEJVBUJSXSYVFH-CQSZACIVSA-N 1 0 370.365 2.870 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CCN4CC(F)(F)C[C@H]4C3)CC2)cc1 ZINC001254479730 1040745778 /nfs/dbraw/zinc/74/57/78/1040745778.db2.gz JVQCFQKRFWJBSK-KRWDZBQOSA-N 1 0 366.412 2.589 20 5 FFBDRO CC(C)C(=O)N[C@@H]1CCC[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254483037 1040749692 /nfs/dbraw/zinc/74/96/92/1040749692.db2.gz PHLVAHVQAXTKRD-MRXNPFEDSA-N 1 0 374.485 2.800 20 5 FFBDRO CCS(=O)(=O)c1ccc(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])cn1 ZINC001254531968 1040784572 /nfs/dbraw/zinc/78/45/72/1040784572.db2.gz HVJJXJKTXUXCJT-CYBMUJFWSA-N 1 0 363.439 2.504 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC001254536499 1040786636 /nfs/dbraw/zinc/78/66/36/1040786636.db2.gz PMNADMULKIRRIG-CRAIPNDOSA-N 1 0 353.422 2.917 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCC([NH3+])(Cc2cccnc2)CC1 ZINC001254547833 1040790869 /nfs/dbraw/zinc/79/08/69/1040790869.db2.gz YFTARMGEFNBGFP-MRXNPFEDSA-N 1 0 354.454 2.957 20 5 FFBDRO CC(C)(C)OC(=O)N1CC[C@@H](C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254566946 1040802213 /nfs/dbraw/zinc/80/22/13/1040802213.db2.gz LNKJIJMZJXHOLO-BBRMVZONSA-N 1 0 361.442 2.909 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])n1ccc2c1ncnc2N1CC[NH2+]CC1 ZINC001254571616 1040809217 /nfs/dbraw/zinc/80/92/17/1040809217.db2.gz YZDGVXQNDSEMFP-CQSZACIVSA-N 1 0 366.425 2.553 20 5 FFBDRO COc1cc(C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)ccc1OC1COC1 ZINC001254575608 1040810151 /nfs/dbraw/zinc/81/01/51/1040810151.db2.gz RUKIORDTVDIMQS-INIZCTEOSA-N 1 0 370.405 2.638 20 5 FFBDRO CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)[C@H]2[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254572893 1040810901 /nfs/dbraw/zinc/81/09/01/1040810901.db2.gz UTTBUGALSVCRSZ-HPFXQQBRSA-N 1 0 373.453 2.907 20 5 FFBDRO O=C1CCCCN1c1ccc(C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)cn1 ZINC001254585855 1040818098 /nfs/dbraw/zinc/81/80/98/1040818098.db2.gz GYEDRUAJLOQABE-QGZVFWFLSA-N 1 0 366.421 2.764 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH+]1C[C@@H]3CN(Cc4nccs4)C[C@H]3C1)C2 ZINC001254594308 1040823202 /nfs/dbraw/zinc/82/32/02/1040823202.db2.gz DGCVBYUSYZJILB-XYJFISCASA-N 1 0 370.478 2.582 20 5 FFBDRO CC(C)(C)OC(=O)N[C@]12C[C@H]1C[N@@H+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254595733 1040824036 /nfs/dbraw/zinc/82/40/36/1040824036.db2.gz YYPMLIMJXRAQGF-QOKNQOGYSA-N 1 0 359.426 2.661 20 5 FFBDRO Cc1noc([C@H]2C[C@@H]3CC[N@@H+]([C@@H]4Cc5ccc([N+](=O)[O-])cc5C4)C[C@H]3O2)n1 ZINC001254595960 1040825793 /nfs/dbraw/zinc/82/57/93/1040825793.db2.gz LFLMSARBWCJEAI-OKDNKWQNSA-N 1 0 370.409 2.606 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH+]1CCC3(CC(N4CCCC4)=NO3)CC1)C2 ZINC001254600717 1040830718 /nfs/dbraw/zinc/83/07/18/1040830718.db2.gz QVWDZKLQISPBFK-SFHVURJKSA-N 1 0 370.453 2.726 20 5 FFBDRO CC[N@H+]([C@H]1CCOC1)C1CCN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254603067 1040832796 /nfs/dbraw/zinc/83/27/96/1040832796.db2.gz LGPRKSNSKSWTQX-VQTJNVASSA-N 1 0 359.470 2.637 20 5 FFBDRO COC(=O)c1cccc2c1C[N@@H+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)CC2 ZINC001254609273 1040836686 /nfs/dbraw/zinc/83/66/86/1040836686.db2.gz VBHWRIBSFPYFJD-KRWDZBQOSA-N 1 0 352.390 2.907 20 5 FFBDRO COC(=O)[C@H](Cc1ccccc1)N(C)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254609248 1040836912 /nfs/dbraw/zinc/83/69/12/1040836912.db2.gz UPXSACGAYLGXFU-MOPGFXCFSA-N 1 0 354.406 2.778 20 5 FFBDRO CC(C)(C)OC(=O)NCC1(C)C[NH+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254610982 1040840398 /nfs/dbraw/zinc/84/03/98/1040840398.db2.gz NEHTVSJHINMLGW-INIZCTEOSA-N 1 0 361.442 2.909 20 5 FFBDRO Cc1ccc(C[C@H](C)[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC001254736747 1040922249 /nfs/dbraw/zinc/92/22/49/1040922249.db2.gz JFPUIWPIYDGEBL-HNNXBMFYSA-N 1 0 362.451 2.898 20 5 FFBDRO C[C@H](CNC(=O)NCc1cc(N(C)C)cc[nH+]1)c1ccccc1[N+](=O)[O-] ZINC001255468884 1041356780 /nfs/dbraw/zinc/35/67/80/1041356780.db2.gz YHSQHOOMEQKWFW-CYBMUJFWSA-N 1 0 357.414 2.659 20 5 FFBDRO CC1(C)C[NH2+]C[C@H]1NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC001263240760 1042193953 /nfs/dbraw/zinc/19/39/53/1042193953.db2.gz UREAWMZNRVCNFF-MRXNPFEDSA-N 1 0 371.387 2.687 20 5 FFBDRO O=C(CCc1cc(F)ccc1[N+](=O)[O-])Nc1cnn(-c2cc[nH+]cc2)c1 ZINC001264932639 1042832287 /nfs/dbraw/zinc/83/22/87/1042832287.db2.gz QUPHFWJEOZLNJO-UHFFFAOYSA-N 1 0 355.329 2.886 20 5 FFBDRO O=C(NCCC[N@H+](Cc1cccc2ccccc21)C1CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001266135449 1042896107 /nfs/dbraw/zinc/89/61/07/1042896107.db2.gz KRBSPDJPKKSBEB-WOJBJXKFSA-N 1 0 367.449 2.976 20 5 FFBDRO COc1ccc(NC(=O)N2CCN(c3cc[nH+]cc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC001310465340 1043692712 /nfs/dbraw/zinc/69/27/12/1043692712.db2.gz IFEXHMDTZLEFPA-ZDUSSCGKSA-N 1 0 371.397 2.741 20 5 FFBDRO C[NH+](C)CC[C@H](NC(=O)NCCc1cccc([N+](=O)[O-])c1)c1cccnc1 ZINC001312426927 1044113487 /nfs/dbraw/zinc/11/34/87/1044113487.db2.gz MHMFAFTZNWOWKE-SFHVURJKSA-N 1 0 371.441 2.525 20 5 FFBDRO Nc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC001539270509 1070602979 /nfs/dbraw/zinc/60/29/79/1070602979.db2.gz FLSAGHPBYHAFQL-SFHVURJKSA-N 1 0 354.410 2.744 20 5 FFBDRO CCCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC[NH+](Cc2ccccc2F)CC1 ZINC001317004354 1045047597 /nfs/dbraw/zinc/04/75/97/1045047597.db2.gz URWIGJGXTXXFAQ-SJLPKXTDSA-N 1 0 363.433 2.694 20 5 FFBDRO Cc1cc(N[C@H]2C[N@H+](C3CC3)C[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001319503941 1045176620 /nfs/dbraw/zinc/17/66/20/1045176620.db2.gz BAMCOCMZSBXSQV-PXAZEXFGSA-N 1 0 353.426 2.677 20 5 FFBDRO Cc1cc(N2CCC[C@H](C(=O)NC3CC3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC001320283096 1045382508 /nfs/dbraw/zinc/38/25/08/1045382508.db2.gz SCMRGDUIRVLRLR-ZDUSSCGKSA-N 1 0 354.410 2.946 20 5 FFBDRO O=C(Nc1cccc(CC[NH+]2CCCC2)c1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001324720767 1046186660 /nfs/dbraw/zinc/18/66/60/1046186660.db2.gz MOQZZFJHQRMSFK-LJQANCHMSA-N 1 0 369.421 2.905 20 5 FFBDRO Cc1c([C@H](C)[NH2+]CCN2C(=O)COc3ccccc32)cccc1[N+](=O)[O-] ZINC001324843368 1046250526 /nfs/dbraw/zinc/25/05/26/1046250526.db2.gz YTACJSKHIQCBFX-AWEZNQCLSA-N 1 0 355.394 2.979 20 5 FFBDRO C[NH+]1CCN(C(C)(C)CNc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC001325108315 1046376980 /nfs/dbraw/zinc/37/69/80/1046376980.db2.gz RLZVHDAPZWOFJU-UHFFFAOYSA-N 1 0 371.279 2.795 20 5 FFBDRO CC(C)n1cc2c(n1)[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])CCC2 ZINC001325881351 1046673403 /nfs/dbraw/zinc/67/34/03/1046673403.db2.gz WKIRPBQFDLDSPQ-HZPDHXFCSA-N 1 0 374.441 2.779 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C1CCC2(CCOCC2)CC1 ZINC001326156075 1046788884 /nfs/dbraw/zinc/78/88/84/1046788884.db2.gz LYWQVVMAZBZUIP-MRXNPFEDSA-N 1 0 364.442 2.664 20 5 FFBDRO Cc1c(CNC(=O)c2ccccc2N2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC001326296886 1046857715 /nfs/dbraw/zinc/85/77/15/1046857715.db2.gz VSFKXEAJCWYHGN-UHFFFAOYSA-N 1 0 368.437 2.585 20 5 FFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(CCC[NH3+])CC(F)(F)F ZINC001331350771 1047883563 /nfs/dbraw/zinc/88/35/63/1047883563.db2.gz QJUWWJGGGRHKSY-JTQLQIEISA-N 1 0 365.377 2.815 20 5 FFBDRO CC(C)n1ncc2c1[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)CCC2 ZINC001327990804 1048124415 /nfs/dbraw/zinc/12/44/15/1048124415.db2.gz AQVPZVQOVSJZPW-SJLPKXTDSA-N 1 0 374.441 2.779 20 5 FFBDRO CCC1([NH3+])CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC001332067655 1048232267 /nfs/dbraw/zinc/23/22/67/1048232267.db2.gz CLKKJJHCLOKBPR-UHFFFAOYSA-N 1 0 356.220 2.701 20 5 FFBDRO O=[N+]([O-])c1ccc2[nH]c(CN3CCC[C@@](O)(c4ccccc4)C3)nc2c1 ZINC001328958244 1048533843 /nfs/dbraw/zinc/53/38/43/1048533843.db2.gz YBYZIDQSMMHKCS-IBGZPJMESA-N 1 0 352.394 2.955 20 5 FFBDRO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC001333311238 1048827633 /nfs/dbraw/zinc/82/76/33/1048827633.db2.gz GITLHQGWESPQCH-GOEBONIOSA-N 1 0 351.834 2.924 20 5 FFBDRO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC001333311239 1048828162 /nfs/dbraw/zinc/82/81/62/1048828162.db2.gz GITLHQGWESPQCH-HOCLYGCPSA-N 1 0 351.834 2.924 20 5 FFBDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)C1 ZINC001295339888 1049917502 /nfs/dbraw/zinc/91/75/02/1049917502.db2.gz WEWNOGFHKNQIES-LBPRGKRZSA-N 1 0 368.865 2.928 20 5 FFBDRO CN(CCc1cccc([N+](=O)[O-])c1)c1nnc([C@H]2CCCCN2C)n1C ZINC001340040697 1050451524 /nfs/dbraw/zinc/45/15/24/1050451524.db2.gz UGVGENXPRKUUHC-MRXNPFEDSA-N 1 0 358.446 2.559 20 5 FFBDRO [NH3+]CC[C@@H](NC(=O)CCc1ccc([N+](=O)[O-])cc1Cl)C(F)(F)F ZINC001340185203 1050590097 /nfs/dbraw/zinc/59/00/97/1050590097.db2.gz SOLNTEIFEFLBSC-LLVKDONJSA-N 1 0 353.728 2.577 20 5 FFBDRO CC(C)(C(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC001342480881 1051081729 /nfs/dbraw/zinc/08/17/29/1051081729.db2.gz GKPWOIYFBZJSCB-CHWSQXEVSA-N 1 0 359.348 2.611 20 5 FFBDRO CC(C)(C)c1ccc(C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC001342556385 1051161702 /nfs/dbraw/zinc/16/17/02/1051161702.db2.gz XQHYESFRXNELEW-VXGBXAGGSA-N 1 0 359.348 2.854 20 5 FFBDRO CCn1c([C@@H]2CCC[N@H+](C)C2)nnc1N(C)CCc1cccc([N+](=O)[O-])c1 ZINC001341146040 1051495766 /nfs/dbraw/zinc/49/57/66/1051495766.db2.gz MXEMXZQQVABNIC-MRXNPFEDSA-N 1 0 372.473 2.694 20 5 FFBDRO CC[NH+](CC)CCOCCNc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC001307088905 1052249358 /nfs/dbraw/zinc/24/93/58/1052249358.db2.gz GNSPNAWDTHQYCR-UHFFFAOYSA-N 1 0 350.341 2.779 20 5 FFBDRO CCCN(CC[NH+]1CCCC1)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC001307756335 1052345659 /nfs/dbraw/zinc/34/56/59/1052345659.db2.gz BVPQXQHBBRTYBP-UHFFFAOYSA-N 1 0 368.865 2.995 20 5 FFBDRO COc1ccccc1C[C@](C)(CO)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC001308035494 1052390255 /nfs/dbraw/zinc/39/02/55/1052390255.db2.gz ISDXEHYJFHIMQN-LJQANCHMSA-N 1 0 360.410 2.566 20 5 FFBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCCC[C@H]1Cc1ccc(O)cc1 ZINC001308148776 1052417711 /nfs/dbraw/zinc/41/77/11/1052417711.db2.gz ILMLRAZUTJKNFJ-INIZCTEOSA-N 1 0 357.410 2.559 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H]1CON(C(=O)OC(C)(C)C)C1 ZINC001308539927 1052465775 /nfs/dbraw/zinc/46/57/75/1052465775.db2.gz UQOJDYSGGXWXIN-CYBMUJFWSA-N 1 0 351.403 2.852 20 5 FFBDRO Cc1noc(-c2ccc(C[NH2+]C3CC(n4cc([N+](=O)[O-])cn4)C3)cc2)n1 ZINC001308669569 1052484335 /nfs/dbraw/zinc/48/43/35/1052484335.db2.gz OXUOVBISSVZCEN-UHFFFAOYSA-N 1 0 354.370 2.643 20 5 FFBDRO CC(C)C[C@@H](CN(C)C)[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001308970030 1052528705 /nfs/dbraw/zinc/52/87/05/1052528705.db2.gz ADFLKMRGGOXVLX-ZBFHGGJFSA-N 1 0 350.463 2.878 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@](O)(c2ccccc2)C(F)(F)F)c1 ZINC001335367782 1053320264 /nfs/dbraw/zinc/32/02/64/1053320264.db2.gz VQSHJGBOQSDFKX-HZPDHXFCSA-N 1 0 370.327 2.668 20 5 FFBDRO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001336175401 1053817115 /nfs/dbraw/zinc/81/71/15/1053817115.db2.gz KFBGCCPOWKXZEL-OIISXLGYSA-N 1 0 360.458 2.729 20 5 FFBDRO C[C@H](Nc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001336570438 1054067970 /nfs/dbraw/zinc/06/79/70/1054067970.db2.gz TZBLCDHSJFGOKG-STQMWFEESA-N 1 0 374.441 2.991 20 5 FFBDRO COc1cccc([C@H]2C[NH2+]CCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC001337034635 1054427835 /nfs/dbraw/zinc/42/78/35/1054427835.db2.gz BPEBRHBZAXOMGS-GOSISDBHSA-N 1 0 355.394 2.699 20 5 FFBDRO COC1CC[NH+](C(C)(C)CNC(=O)c2cc([N+](=O)[O-])c(F)cc2C)CC1 ZINC001543838524 1071554335 /nfs/dbraw/zinc/55/43/35/1071554335.db2.gz ZWMFDVKTGQPQSG-UHFFFAOYSA-N 1 0 367.421 2.662 20 5 FFBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NC[C@@H]1CCC[NH2+]CC1 ZINC001356462331 1055515394 /nfs/dbraw/zinc/51/53/94/1055515394.db2.gz AYZYXGSFWWBGMB-GFCCVEGCSA-N 1 0 355.822 2.523 20 5 FFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCC12CCC[NH+](CCC1)C2 ZINC001350121485 1055635603 /nfs/dbraw/zinc/63/56/03/1055635603.db2.gz IDEKLJOXJNOPMD-UHFFFAOYSA-N 1 0 351.834 2.783 20 5 FFBDRO CC[NH+](CC)C1CCN(c2nnc(-c3csc([N+](=O)[O-])c3)n2C)CC1 ZINC001338703815 1055745804 /nfs/dbraw/zinc/74/58/04/1055745804.db2.gz ZGCIWLFQTGXNJJ-UHFFFAOYSA-N 1 0 364.475 2.762 20 5 FFBDRO COc1ccc(NC(=O)N2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC001352777924 1055784609 /nfs/dbraw/zinc/78/46/09/1055784609.db2.gz WGHPEUMTSJEEFM-GZBFAFLISA-N 1 0 362.430 2.797 20 5 FFBDRO C[C@@H](COc1c(F)cccc1F)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001357240902 1055838567 /nfs/dbraw/zinc/83/85/67/1055838567.db2.gz DPQPLBNZHIHUOG-ZBEGNZNMSA-N 1 0 352.337 2.964 20 5 FFBDRO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC001338826423 1055850474 /nfs/dbraw/zinc/85/04/74/1055850474.db2.gz XOVFUJMEBCLNIR-CHWSQXEVSA-N 1 0 370.247 2.960 20 5 FFBDRO Cc1cc(COC(=O)c2ccnc(OCC[NH+](C)C)c2)ccc1[N+](=O)[O-] ZINC001357531344 1055935083 /nfs/dbraw/zinc/93/50/83/1055935083.db2.gz DSBQBZWNFLVOPU-UHFFFAOYSA-N 1 0 359.382 2.596 20 5 FFBDRO CC1(C)CCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC(C)(C)[NH2+]1 ZINC001351004204 1056036774 /nfs/dbraw/zinc/03/67/74/1056036774.db2.gz FFPYQHOTOXPYIK-UHFFFAOYSA-N 1 0 371.441 2.773 20 5 FFBDRO CC1(C)[C@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)[C@H]2CCC[NH2+][C@H]21 ZINC001353092852 1056068722 /nfs/dbraw/zinc/06/87/22/1056068722.db2.gz KSWIYSVTVJZAPW-BMGDILEWSA-N 1 0 372.469 2.701 20 5 FFBDRO [NH3+][C@H](CCNC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC001357969081 1056082896 /nfs/dbraw/zinc/08/28/96/1056082896.db2.gz FFXFDELKOFRMPG-QRQLOZEOSA-N 1 0 353.422 2.775 20 5 FFBDRO O=C(Nc1ccc(Nc2cc[nH+]cc2)cc1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001300214221 1056134483 /nfs/dbraw/zinc/13/44/83/1056134483.db2.gz JIZOZRGLDMTSOL-SFHVURJKSA-N 1 0 364.361 2.827 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)N(Cc1ccncc1)C1CC1 ZINC001351247843 1056154204 /nfs/dbraw/zinc/15/42/04/1056154204.db2.gz HULPSHDLJGGZHH-UHFFFAOYSA-N 1 0 363.377 2.980 20 5 FFBDRO [NH3+][C@H]1CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC[C@H]1C(F)(F)F ZINC001358130863 1056155707 /nfs/dbraw/zinc/15/57/07/1056155707.db2.gz SERVQTFQEIRFAX-ZJUUUORDSA-N 1 0 351.712 2.600 20 5 FFBDRO Nc1c(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc2ccccc2c1[N+](=O)[O-] ZINC001544237539 1071616837 /nfs/dbraw/zinc/61/68/37/1071616837.db2.gz JLCYKGFSRZCSPM-CVEARBPZSA-N 1 0 354.410 2.687 20 5 FFBDRO CN(Cc1ccccc1[N+](=O)[O-])c1nnc([C@@H]2CCCN2C)n1CC1CC1 ZINC001351500947 1056294697 /nfs/dbraw/zinc/29/46/97/1056294697.db2.gz LKQONHZEJSPCCK-KRWDZBQOSA-N 1 0 370.457 2.999 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC001358495273 1056340122 /nfs/dbraw/zinc/34/01/22/1056340122.db2.gz XQFHLIIPJCOIAG-XLIONFOSSA-N 1 0 367.405 2.889 20 5 FFBDRO COc1ccc(C[C@@](C)([NH3+])CNc2ncnc3ccc([N+](=O)[O-])cc32)cc1 ZINC000611712663 1056448213 /nfs/dbraw/zinc/44/82/13/1056448213.db2.gz NKHDHONMZJBNJZ-LJQANCHMSA-N 1 0 367.409 2.919 20 5 FFBDRO CN(C)c1cc(F)c(C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC001544800352 1071694502 /nfs/dbraw/zinc/69/45/02/1071694502.db2.gz KTEXCKRFKHCWIP-CYBMUJFWSA-N 1 0 366.437 2.746 20 5 FFBDRO Cc1c(CNC(=O)c2ccc([C@H]3CCCC[NH2+]3)n2C)cccc1[N+](=O)[O-] ZINC001353748750 1058174152 /nfs/dbraw/zinc/17/41/52/1058174152.db2.gz HVLSCCPBLJHJOD-OAHLLOKOSA-N 1 0 356.426 2.986 20 5 FFBDRO CN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H](C1CC1)[NH+](C)C)C1CC1 ZINC001503379950 1059016574 /nfs/dbraw/zinc/01/65/74/1059016574.db2.gz OAJLWKACBHAUMR-QGZVFWFLSA-N 1 0 370.457 2.792 20 5 FFBDRO C[NH+](C)C[C@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)c1cccc(C(F)(F)F)c1 ZINC001454542424 1059557571 /nfs/dbraw/zinc/55/75/71/1059557571.db2.gz SRHJLZAYRYERCV-AWEZNQCLSA-N 1 0 370.331 2.974 20 5 FFBDRO O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001454579704 1059571507 /nfs/dbraw/zinc/57/15/07/1059571507.db2.gz UFEJNVPIRAVJDO-OAHLLOKOSA-N 1 0 359.813 2.905 20 5 FFBDRO Cc1cc(N2CC[C@H]([NH2+]Cc3ccc(C(C)C)c([N+](=O)[O-])c3)C2=O)n(C)n1 ZINC001200831561 1059727005 /nfs/dbraw/zinc/72/70/05/1059727005.db2.gz XRZZBQKSUOPQKP-INIZCTEOSA-N 1 0 371.441 2.655 20 5 FFBDRO COCC[N@H+](CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O)C1CCCC1 ZINC000848477179 1060097559 /nfs/dbraw/zinc/09/75/59/1060097559.db2.gz MYTYSWNWQYDYRA-SFHVURJKSA-N 1 0 361.442 2.759 20 5 FFBDRO CCn1c([C@@H](C)[N+](=O)[O-])nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001520819759 1060112887 /nfs/dbraw/zinc/11/28/87/1060112887.db2.gz AYHCFEAWOTXSKW-HZPDHXFCSA-N 1 0 364.494 2.728 20 5 FFBDRO CC(C)(C)OC(=O)NC1CC[NH+](CCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC001458576441 1060628492 /nfs/dbraw/zinc/62/84/92/1060628492.db2.gz HADKQASYIWQTES-UHFFFAOYSA-N 1 0 364.446 2.996 20 5 FFBDRO COC(=O)/C=C/c1ccc(NCc2nc3c([nH]2)CCCC3)c([N+](=O)[O-])c1 ZINC001458634793 1060638697 /nfs/dbraw/zinc/63/86/97/1060638697.db2.gz AUJCTHAOZDFNQG-VQHVLOKHSA-N 1 0 356.382 2.995 20 5 FFBDRO COC(=O)CC[N@@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)CC(C)C ZINC001459390010 1060755074 /nfs/dbraw/zinc/75/50/74/1060755074.db2.gz DGXDXKAIILEMPW-UHFFFAOYSA-N 1 0 362.386 2.666 20 5 FFBDRO O=C(N[C@H]1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1)c1ccccc1 ZINC001459543657 1060772321 /nfs/dbraw/zinc/77/23/21/1060772321.db2.gz RXUUGOJXOPGLDT-KRWDZBQOSA-N 1 0 369.421 2.868 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CCN[C@@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC001459910337 1060844617 /nfs/dbraw/zinc/84/46/17/1060844617.db2.gz HZYNMYATMFWTJT-NSHDSACASA-N 1 0 374.376 2.948 20 5 FFBDRO C[C@@H]([N@H+](C)Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C(C)(C)O ZINC001460127267 1060903154 /nfs/dbraw/zinc/90/31/54/1060903154.db2.gz VFVSNOYOSNZORR-SECBINFHSA-N 1 0 354.794 2.889 20 5 FFBDRO CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC001460281095 1060942085 /nfs/dbraw/zinc/94/20/85/1060942085.db2.gz VACICLQRUPIVQQ-ZIAGYGMSSA-N 1 0 350.419 2.915 20 5 FFBDRO COc1ccc(C[C@](C)([NH3+])CNc2ncnc3cccc([N+](=O)[O-])c32)cc1 ZINC000544392883 1061125505 /nfs/dbraw/zinc/12/55/05/1061125505.db2.gz FMHRCMBPQFTCDL-IBGZPJMESA-N 1 0 367.409 2.919 20 5 FFBDRO CCc1ccc(S(=O)(=O)NC2CCC(C)([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC001475599744 1061158148 /nfs/dbraw/zinc/15/81/48/1061158148.db2.gz MHDMRWQDLYSDLF-UHFFFAOYSA-N 1 0 369.487 2.698 20 5 FFBDRO CC(C)(C[NH2+]Cc1c(Br)cccc1[N+](=O)[O-])N1CCOCC1 ZINC001461000024 1061182397 /nfs/dbraw/zinc/18/23/97/1061182397.db2.gz XYFNRLBHHVOXBK-UHFFFAOYSA-N 1 0 372.263 2.558 20 5 FFBDRO Cc1c(C[NH2+]Cc2cc(F)ccc2CS(C)(=O)=O)cccc1[N+](=O)[O-] ZINC001461255518 1061268494 /nfs/dbraw/zinc/26/84/94/1061268494.db2.gz IAFHWJJMFMKSON-UHFFFAOYSA-N 1 0 366.414 2.877 20 5 FFBDRO C[C@@H]1C[N@H+](C)[C@H](C)[C@H](C)N1C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC001461267016 1061273562 /nfs/dbraw/zinc/27/35/62/1061273562.db2.gz FKZWNYNJEPOVJD-UPJWGTAASA-N 1 0 369.849 2.957 20 5 FFBDRO C[C@H]1CCC[C@H]1NC(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001477129992 1061593736 /nfs/dbraw/zinc/59/37/36/1061593736.db2.gz AGOBHMCLMPOZDL-DZGCQCFKSA-N 1 0 361.446 2.657 20 5 FFBDRO COc1c(O)ccc(C[NH2+]CCc2cn(C)c3ncccc23)c1[N+](=O)[O-] ZINC001462519653 1061655844 /nfs/dbraw/zinc/65/58/44/1061655844.db2.gz YBDKRNCLTSDMJT-UHFFFAOYSA-N 1 0 356.382 2.528 20 5 FFBDRO Cc1ccc(S(=O)(=O)NC[C@H](C)[NH+]2CCC(C)CC2)c(C)c1[N+](=O)[O-] ZINC001462938096 1061853420 /nfs/dbraw/zinc/85/34/20/1061853420.db2.gz RTQLLVVJSZBFSO-AWEZNQCLSA-N 1 0 369.487 2.610 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N3CC[C@H](C[NH3+])[C@@H](C)C3)cc2[N+](=O)[O-])CC1 ZINC001523031084 1062366273 /nfs/dbraw/zinc/36/62/73/1062366273.db2.gz XYQSLUSXSQEZMJ-DOTOQJQBSA-N 1 0 374.485 2.888 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC2CCC(C)([NH+](C)C)CC2)c1C ZINC001464311847 1062540084 /nfs/dbraw/zinc/54/00/84/1062540084.db2.gz HIKOUDPTCGQOFS-UHFFFAOYSA-N 1 0 369.487 2.753 20 5 FFBDRO CC(C)Cn1c([C@@H](C)[N+](=O)[O-])nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001524992753 1063087900 /nfs/dbraw/zinc/08/79/00/1063087900.db2.gz DXHPXJFOFMXWSW-OAHLLOKOSA-N 1 0 364.494 2.727 20 5 FFBDRO CC(C)[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ccc2ncccc2c1 ZINC001493859839 1063239313 /nfs/dbraw/zinc/23/93/13/1063239313.db2.gz ZDICXMVLPZSVQR-IEBWSBKVSA-N 1 0 370.453 2.617 20 5 FFBDRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC001525865148 1063442712 /nfs/dbraw/zinc/44/27/12/1063442712.db2.gz IVIUTTCGQXUSLK-GXTWGEPZSA-N 1 0 369.849 2.958 20 5 FFBDRO C[C@H](CNC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1)C[NH+]1CCCCC1 ZINC001441907994 1063482669 /nfs/dbraw/zinc/48/26/69/1063482669.db2.gz BXEJMQOEBLQDCD-LLVKDONJSA-N 1 0 354.838 2.682 20 5 FFBDRO CC[NH+](CC)CCOc1cccc(NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)c1 ZINC001472352313 1065028508 /nfs/dbraw/zinc/02/85/08/1065028508.db2.gz CKBPKRMIHQVJRF-UHFFFAOYSA-N 1 0 374.397 2.668 20 5 FFBDRO CC(C)C[NH+]1CCN(c2c3cc([N+](=O)[O-])ccc3ncc2[N+](=O)[O-])CC1 ZINC001472635533 1065118190 /nfs/dbraw/zinc/11/81/90/1065118190.db2.gz IMVAIAVGXOCPDM-UHFFFAOYSA-N 1 0 359.386 2.829 20 5 FFBDRO C[C@H]([NH3+])c1ccc(CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)cc1 ZINC001576166221 1078201203 /nfs/dbraw/zinc/20/12/03/1078201203.db2.gz WJPZIYWDAWALGN-ZDUSSCGKSA-N 1 0 352.394 2.886 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2ccc(CNCCC[NH+]3CCC(O)CC3)o2)c1 ZINC001473957384 1065427447 /nfs/dbraw/zinc/42/74/47/1065427447.db2.gz IHNDGZWHSPQDRY-UHFFFAOYSA-N 1 0 359.426 2.791 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+][C@@H](c2ccccn2)C2CC2)cc1[N+](=O)[O-] ZINC001474276917 1065483313 /nfs/dbraw/zinc/48/33/13/1065483313.db2.gz QFMBXYIIZNYKBC-LJQANCHMSA-N 1 0 371.393 2.783 20 5 FFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1CN1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC001474372733 1065505958 /nfs/dbraw/zinc/50/59/58/1065505958.db2.gz NNAYIAVDGRCIKM-HOCLYGCPSA-N 1 0 373.375 2.645 20 5 FFBDRO COc1ccc(N2C[C@H]([NH2+]CCc3ccc([N+](=O)[O-])cc3)CC2=O)cc1 ZINC001474619693 1065564872 /nfs/dbraw/zinc/56/48/72/1065564872.db2.gz GFCIXQGDAWEVKC-OAHLLOKOSA-N 1 0 355.394 2.541 20 5 FFBDRO CC[NH2+]CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](C)[C@H]1C ZINC001577858392 1078408850 /nfs/dbraw/zinc/40/88/50/1078408850.db2.gz SVSBKQIWWRLKPZ-UONOGXRCSA-N 1 0 358.446 2.698 20 5 FFBDRO CCOc1cc(NC(=O)[C@@H]([NH3+])Cc2cccc(OC)c2)ccc1[N+](=O)[O-] ZINC001578168470 1078446196 /nfs/dbraw/zinc/44/61/96/1078446196.db2.gz PKUNBSRZLXJNRT-HNNXBMFYSA-N 1 0 359.382 2.511 20 5 FFBDRO COc1cc(C(=O)N2c3ccccc3CC[C@@H]2C[NH3+])cc([N+](=O)[O-])c1C ZINC001579140807 1078574061 /nfs/dbraw/zinc/57/40/61/1078574061.db2.gz DRABORHMKSEARM-OAHLLOKOSA-N 1 0 355.394 2.832 20 5 FFBDRO COc1ccc2ncc([N+](=O)[O-])c(NCc3ccc(CC[NH3+])cc3)c2c1 ZINC001579257365 1078603800 /nfs/dbraw/zinc/60/38/00/1078603800.db2.gz CUDJIIPJGZFRHC-UHFFFAOYSA-N 1 0 352.394 2.687 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1nccc([C@@H]2CC[NH2+]C2)n1 ZINC001579577226 1078644825 /nfs/dbraw/zinc/64/48/25/1078644825.db2.gz MQBPMJQYCUTRFX-CYBMUJFWSA-N 1 0 355.398 2.639 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N(Cc1ccccn1)C1CC[NH2+]CC1 ZINC001579642494 1078653698 /nfs/dbraw/zinc/65/36/98/1078653698.db2.gz IOKCGGLZRGGMCB-UHFFFAOYSA-N 1 0 354.410 2.693 20 5 FFBDRO Cc1nnc(N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)n1C[C@H]1CCC[NH2+]C1 ZINC001579902343 1078710994 /nfs/dbraw/zinc/71/09/94/1078710994.db2.gz GSBLELHTDPYJCI-INIZCTEOSA-N 1 0 370.457 2.663 20 5 FFBDRO [NH3+][C@H](C(=O)NCc1ccccc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001580114748 1078751878 /nfs/dbraw/zinc/75/18/78/1078751878.db2.gz AKZWTAGSGNEBQX-AWEZNQCLSA-N 1 0 353.300 2.930 20 5 FFBDRO [NH3+]C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)C1 ZINC001580265112 1078778425 /nfs/dbraw/zinc/77/84/25/1078778425.db2.gz DCSNIKZXTMJXIX-OAHLLOKOSA-N 1 0 354.410 2.628 20 5 FFBDRO [NH3+]C[C@@H]1CCc2ccccc2N1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC001580268702 1078779079 /nfs/dbraw/zinc/77/90/79/1078779079.db2.gz DZUVQRFGZDRSNB-HNNXBMFYSA-N 1 0 354.410 2.704 20 5 FFBDRO [NH3+]C[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H]1C(F)(F)F ZINC001580322152 1078787365 /nfs/dbraw/zinc/78/73/65/1078787365.db2.gz DIWSEMSZPHFXIP-ZANVPECISA-N 1 0 362.308 2.605 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1NCCCCC[NH+]1CCCCC1 ZINC001582803905 1079109486 /nfs/dbraw/zinc/10/94/86/1079109486.db2.gz BVIUJSLXWVSFJI-UHFFFAOYSA-N 1 0 359.434 2.843 20 5 FFBDRO CS[C@@H]1CN(c2c3cc(F)ccc3ncc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC001559157544 1076130635 /nfs/dbraw/zinc/13/06/35/1076130635.db2.gz OFZCERGIZDBRNX-HUUCEWRRSA-N 1 0 350.419 2.764 20 5 FFBDRO CC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(CC(F)(F)F)C1 ZINC001560034662 1076214554 /nfs/dbraw/zinc/21/45/54/1076214554.db2.gz ZSMCBAVHWLAVFU-CQSZACIVSA-N 1 0 361.364 2.932 20 5 FFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC(=O)N(C)OCC(F)(F)F ZINC001560616609 1076284436 /nfs/dbraw/zinc/28/44/36/1076284436.db2.gz MIYLBUFTBHULQC-WDZFZDKYSA-N 1 0 361.320 2.540 20 5 FFBDRO CC(C)(O)C[NH+]1CCN(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC001560630793 1076286505 /nfs/dbraw/zinc/28/65/05/1076286505.db2.gz JMGFNSZHJOSSNC-UHFFFAOYSA-N 1 0 361.364 2.502 20 5 FFBDRO Cc1cc(C)c(S(=O)(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC001561125504 1076336009 /nfs/dbraw/zinc/33/60/09/1076336009.db2.gz OFODQQJLNSKUAQ-SWLSCSKDSA-N 1 0 369.487 2.610 20 5 FFBDRO C[C@H]([NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC001589951645 1080898909 /nfs/dbraw/zinc/89/89/09/1080898909.db2.gz ILFYYXRNNGTJSJ-NSHDSACASA-N 1 0 365.397 2.697 20 5 FFBDRO C[C@@H]1CCCC[N@@H+]1CCCCNc1cc(-c2nn[nH]n2)sc1[N+](=O)[O-] ZINC001590260053 1081128952 /nfs/dbraw/zinc/12/89/52/1081128952.db2.gz LRBANQKIMFEIJD-LLVKDONJSA-N 1 0 365.463 2.903 20 5 FFBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000107682975 209278299 /nfs/dbraw/zinc/27/82/99/209278299.db2.gz FXYIPIMCLATWCP-IYBDPMFKSA-N 1 0 362.474 2.881 20 5 FFBDRO CN(C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CC[NH+](C)CC1 ZINC000051468815 249491589 /nfs/dbraw/zinc/49/15/89/249491589.db2.gz MUVSVBIAWODWKK-UHFFFAOYSA-N 1 0 360.439 2.885 20 5 FFBDRO NC(=O)N1CCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000092754123 250001063 /nfs/dbraw/zinc/00/10/63/250001063.db2.gz JRWLSIICXCELOX-UHFFFAOYSA-N 1 0 360.439 2.910 20 5 FFBDRO O=C(c1cc(N2CC[C@@H]([NH+]3CCCC3)C2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000110630583 206754920 /nfs/dbraw/zinc/75/49/20/206754920.db2.gz TZODPXDYVPCQRE-MRXNPFEDSA-N 1 0 358.442 2.505 20 5 FFBDRO C[NH+](C)[C@@H]1CCCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000372990717 512121412 /nfs/dbraw/zinc/12/14/12/512121412.db2.gz PGXCEWIOJIPSPE-CYBMUJFWSA-N 1 0 354.838 2.603 20 5 FFBDRO COc1cc(C[NH2+]CC2CCOCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272350350 252017187 /nfs/dbraw/zinc/01/71/87/252017187.db2.gz DAIGODKNWSSUGJ-UHFFFAOYSA-N 1 0 360.357 2.764 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000272443181 252039483 /nfs/dbraw/zinc/03/94/83/252039483.db2.gz FBFFLLULWLRFDN-CQSZACIVSA-N 1 0 369.487 2.562 20 5 FFBDRO C[C@@H]1C[C@@H](N(C)C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000272465970 252045815 /nfs/dbraw/zinc/04/58/15/252045815.db2.gz HPGXGZIUZJQBKJ-DOMZBBRYSA-N 1 0 368.865 2.915 20 5 FFBDRO CC[C@H](CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)[NH+]1CCCC1 ZINC000272586780 252073659 /nfs/dbraw/zinc/07/36/59/252073659.db2.gz ZFLQCZVOCBHKKR-SJLPKXTDSA-N 1 0 357.458 2.882 20 5 FFBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000273308090 252278207 /nfs/dbraw/zinc/27/82/07/252278207.db2.gz XIEJWRYFRJJEJG-BXUZGUMPSA-N 1 0 369.874 2.893 20 5 FFBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000285755337 257003100 /nfs/dbraw/zinc/00/31/00/257003100.db2.gz ZBJSRIKNICGOLO-OCCSQVGLSA-N 1 0 366.849 2.745 20 5 FFBDRO CCN(CCC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])ccc1SCCOC ZINC000276195592 256080120 /nfs/dbraw/zinc/08/01/20/256080120.db2.gz JEKDBBQAWNZRQJ-UHFFFAOYSA-N 1 0 369.487 2.747 20 5 FFBDRO COc1cc(C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)cc([N+](=O)[O-])c1C ZINC000276887131 256139392 /nfs/dbraw/zinc/13/93/92/256139392.db2.gz TWSCFALYZRXOKQ-HNNXBMFYSA-N 1 0 361.442 2.716 20 5 FFBDRO C[NH+](C)[C@@H]1CCCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000277177962 256168740 /nfs/dbraw/zinc/16/87/40/256168740.db2.gz LBCPEPYHCRXJDI-CYBMUJFWSA-N 1 0 354.838 2.603 20 5 FFBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000285763690 257003607 /nfs/dbraw/zinc/00/36/07/257003607.db2.gz ZQFMTFAEEFNTCE-TZMCWYRMSA-N 1 0 366.849 2.745 20 5 FFBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000277381735 256191753 /nfs/dbraw/zinc/19/17/53/256191753.db2.gz WJJUKNHJBWLWDU-JOYOIKCWSA-N 1 0 368.231 2.570 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000277278220 256179915 /nfs/dbraw/zinc/17/99/15/256179915.db2.gz BAAUQXOGKIWWEZ-CQSZACIVSA-N 1 0 350.419 2.526 20 5 FFBDRO COc1cc(NCCC[N@@H+]2CCCO[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000278179562 256285072 /nfs/dbraw/zinc/28/50/72/256285072.db2.gz PNFZDZFDGUKKAT-ZDUSSCGKSA-N 1 0 353.419 2.525 20 5 FFBDRO C[NH+](C)[C@H]1CCN(c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000278529129 256322143 /nfs/dbraw/zinc/32/21/43/256322143.db2.gz UANFYAOBFVGCFB-QMMMGPOBSA-N 1 0 354.279 2.784 20 5 FFBDRO COC[C@@H]([NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000278695090 256339311 /nfs/dbraw/zinc/33/93/11/256339311.db2.gz QJVCUALOQLNEGW-OCCSQVGLSA-N 1 0 359.220 2.641 20 5 FFBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]C3CCN(CCC(F)(F)F)CC3)nc2c1 ZINC000278772554 256346456 /nfs/dbraw/zinc/34/64/56/256346456.db2.gz UVEXGHIWEDRWMB-UHFFFAOYSA-N 1 0 371.363 2.978 20 5 FFBDRO CN(C)[C@H](CNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])c1ccco1 ZINC000279166305 256389051 /nfs/dbraw/zinc/38/90/51/256389051.db2.gz QHSRBOHCSHIUES-CQSZACIVSA-N 1 0 369.780 2.942 20 5 FFBDRO CC1CC[NH+](CCCCNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 ZINC000279237105 256396417 /nfs/dbraw/zinc/39/64/17/256396417.db2.gz PUCPZEZGIRWEGT-UHFFFAOYSA-N 1 0 352.410 2.558 20 5 FFBDRO COc1cc(C[N@H+](C)CCCO)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000281651995 256650754 /nfs/dbraw/zinc/65/07/54/256650754.db2.gz BRASXLAOSZVLIU-UHFFFAOYSA-N 1 0 360.410 2.997 20 5 FFBDRO CCS[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000286236667 257027064 /nfs/dbraw/zinc/02/70/64/257027064.db2.gz RQOCTLIMUBCUQB-UKRRQHHQSA-N 1 0 353.444 2.806 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCOC[C@H]1CC(F)F ZINC000286269028 257028665 /nfs/dbraw/zinc/02/86/65/257028665.db2.gz BTCBYVMIGZEIAJ-CYBMUJFWSA-N 1 0 357.357 2.588 20 5 FFBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000288169138 257155067 /nfs/dbraw/zinc/15/50/67/257155067.db2.gz AXNHWHDQOJUYDP-ZIAGYGMSSA-N 1 0 354.410 2.842 20 5 FFBDRO C[NH+](C)CCCOc1cnccc1CNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000288133740 257150603 /nfs/dbraw/zinc/15/06/03/257150603.db2.gz FCBAXIGUUASBNR-UHFFFAOYSA-N 1 0 365.821 2.981 20 5 FFBDRO Cc1cc(C(=O)NCc2ccncc2OCCC[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000288690732 257218763 /nfs/dbraw/zinc/21/87/63/257218763.db2.gz JYGSFWBXMOIRNW-UHFFFAOYSA-N 1 0 372.425 2.559 20 5 FFBDRO C[C@@H]1C[C@H](Nc2nccc(C(N)=O)c2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000290829210 257359958 /nfs/dbraw/zinc/35/99/58/257359958.db2.gz UIQJRQGIXLMTJB-UKRRQHHQSA-N 1 0 369.425 2.554 20 5 FFBDRO NC(=O)c1ccnc(NCc2ccc(C[NH+]3CCCCC3)cc2)c1[N+](=O)[O-] ZINC000290491085 257335534 /nfs/dbraw/zinc/33/55/34/257335534.db2.gz JHYNUQQBVMNOBV-UHFFFAOYSA-N 1 0 369.425 2.687 20 5 FFBDRO O=C(NCCC[C@@H]1CCC[NH2+]1)c1ccc([N+](=O)[O-])cc1Br ZINC000294744429 257600891 /nfs/dbraw/zinc/60/08/91/257600891.db2.gz COLOUYMQXFUXQQ-JTQLQIEISA-N 1 0 356.220 2.619 20 5 FFBDRO C[C@@H](C[NH+]1CCCCC1)Nc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000301299502 258040651 /nfs/dbraw/zinc/04/06/51/258040651.db2.gz ZENNAVBKDWMYHF-AWEZNQCLSA-N 1 0 371.441 2.846 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccccc1Cn1cncn1 ZINC000299643969 258013208 /nfs/dbraw/zinc/01/32/08/258013208.db2.gz YOXHEOFPHICJID-UHFFFAOYSA-N 1 0 367.409 2.923 20 5 FFBDRO CC[C@@H]1CN(c2cc(C)nc3c2cccc3[N+](=O)[O-])CC[N@@H+]1C[C@@H](C)O ZINC000302022640 258083116 /nfs/dbraw/zinc/08/31/16/258083116.db2.gz ORBSVYMQNHZYLG-HUUCEWRRSA-N 1 0 358.442 2.733 20 5 FFBDRO C[C@H]1C[NH+](CC2CCN(c3c4c(ccc3[N+](=O)[O-])NCC4)CC2)C[C@H](C)O1 ZINC000302456812 258102855 /nfs/dbraw/zinc/10/28/55/258102855.db2.gz QPCGGAJEBXSBMK-GJZGRUSLSA-N 1 0 374.485 2.888 20 5 FFBDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000302499698 258104134 /nfs/dbraw/zinc/10/41/34/258104134.db2.gz CINNGLDQXSJLCZ-LLVKDONJSA-N 1 0 361.364 2.895 20 5 FFBDRO Cn1c(Sc2ccc(Cl)cc2[N+](=O)[O-])nnc1[C@@H]1CCC[NH2+]C1 ZINC000302755804 258109721 /nfs/dbraw/zinc/10/97/21/258109721.db2.gz IPLKCPDCEWPQCI-SECBINFHSA-N 1 0 353.835 2.995 20 5 FFBDRO COC(=O)c1cnc(NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000302765560 258109845 /nfs/dbraw/zinc/10/98/45/258109845.db2.gz LLMFUDKKLRIQCV-SJKOYZFVSA-N 1 0 350.419 2.699 20 5 FFBDRO Cc1cc(NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000301530407 258054405 /nfs/dbraw/zinc/05/44/05/258054405.db2.gz JMEMWJZVVPJODL-UHFFFAOYSA-N 1 0 362.474 2.942 20 5 FFBDRO Cc1c(CO)cc([N+](=O)[O-])c(NCC[NH+]2CCCCCC2)c1[N+](=O)[O-] ZINC000301538411 258055050 /nfs/dbraw/zinc/05/50/50/258055050.db2.gz RKSHCWSRFPDYRJ-UHFFFAOYSA-N 1 0 352.391 2.592 20 5 FFBDRO C[NH+](C)[C@H](CNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-])C1CCCCC1 ZINC000301858650 258070960 /nfs/dbraw/zinc/07/09/60/258070960.db2.gz CWVSWRDUCIPKDI-OAHLLOKOSA-N 1 0 369.487 2.921 20 5 FFBDRO CC(C)(C)[NH+]1CCC(Nc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000301863891 258071409 /nfs/dbraw/zinc/07/14/09/258071409.db2.gz FLRDSTOQLQIYDQ-UHFFFAOYSA-N 1 0 355.460 2.673 20 5 FFBDRO C[C@@H](CN1CC[NH+](C)CC1)Nc1ccc([N+](=O)[O-])c(OC(C)(C)C)c1 ZINC000301893755 258073303 /nfs/dbraw/zinc/07/33/03/258073303.db2.gz SPCYGKDFMSYWKV-AWEZNQCLSA-N 1 0 350.463 2.820 20 5 FFBDRO Cc1cc(NC[C@@H](O)C[NH+]2CCC(C)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000301984285 258080233 /nfs/dbraw/zinc/08/02/33/258080233.db2.gz CCYOJXNMCFVWEE-OAHLLOKOSA-N 1 0 358.442 2.956 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1[C@H](C)C[NH+](C)C[C@H]1C ZINC000330481094 258164848 /nfs/dbraw/zinc/16/48/48/258164848.db2.gz SYUKFCDLXIRBJB-UTUOFQBUSA-N 1 0 355.822 2.567 20 5 FFBDRO CC[N@H+]1C[C@@H](C)N(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000331338419 258182713 /nfs/dbraw/zinc/18/27/13/258182713.db2.gz JLLUXJGXZKSLPI-TXEJJXNPSA-N 1 0 354.838 2.601 20 5 FFBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000332002239 258209765 /nfs/dbraw/zinc/20/97/65/258209765.db2.gz XVCGZQMFAACFEX-INIZCTEOSA-N 1 0 363.483 2.771 20 5 FFBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NCCC[NH+](C)C)cc2[N+](=O)[O-])C1 ZINC000097679577 132230532 /nfs/dbraw/zinc/23/05/32/132230532.db2.gz HAGYKTCNKZVTBE-HUUCEWRRSA-N 1 0 362.474 2.759 20 5 FFBDRO Cn1ccnc1[C@H]1CCCN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C1 ZINC000373055640 512151241 /nfs/dbraw/zinc/15/12/41/512151241.db2.gz FVSDIZIZDXHBNC-AWEZNQCLSA-N 1 0 369.425 2.605 20 5 FFBDRO C[NH+](C)C1(CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CCCCCC1 ZINC000032704103 506280349 /nfs/dbraw/zinc/28/03/49/506280349.db2.gz SCRKJWXPXMEDAJ-UHFFFAOYSA-N 1 0 359.430 2.856 20 5 FFBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NC2CC[NH+](C(C)C)CC2)cc1OC ZINC000052950875 506283112 /nfs/dbraw/zinc/28/31/12/506283112.db2.gz DYRAJDQNHRYZFF-UHFFFAOYSA-N 1 0 365.430 2.605 20 5 FFBDRO Cn1nccc1[C@H]1CCC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000377434648 512267081 /nfs/dbraw/zinc/26/70/81/512267081.db2.gz YETDDZSTTMEAGS-AWEZNQCLSA-N 1 0 368.397 2.758 20 5 FFBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NCC2([NH+](C)C)CCCC2)cc1OC ZINC000042763832 506665265 /nfs/dbraw/zinc/66/52/65/506665265.db2.gz WSAADUFLUVDBJZ-UHFFFAOYSA-N 1 0 365.430 2.606 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000043126953 506703617 /nfs/dbraw/zinc/70/36/17/506703617.db2.gz OUKJXGRKWKRSRP-INIZCTEOSA-N 1 0 372.425 2.898 20 5 FFBDRO C[C@@H](CNC(=O)NCCNc1ccccc1[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC000043893367 506797986 /nfs/dbraw/zinc/79/79/86/506797986.db2.gz YVLAJYWKCWZAKZ-CABCVRRESA-N 1 0 363.462 2.569 20 5 FFBDRO COc1ccccc1CC[N@H+](C)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000067399530 506864487 /nfs/dbraw/zinc/86/44/87/506864487.db2.gz OVYMBQTXYNSGHJ-GOSISDBHSA-N 1 0 369.421 2.883 20 5 FFBDRO O=[N+]([O-])c1ccc(OCCC[NH+]2CCN(c3ccc(O)cc3)CC2)cc1 ZINC000055897396 506878391 /nfs/dbraw/zinc/87/83/91/506878391.db2.gz HIYNTWLCFUDCRG-UHFFFAOYSA-N 1 0 357.410 2.892 20 5 FFBDRO C[C@@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc2c(c1)OCO2 ZINC000067452218 506886736 /nfs/dbraw/zinc/88/67/36/506886736.db2.gz HAQUUDHGPZPEBU-WBMJQRKESA-N 1 0 369.377 2.780 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[NH+](CCC(C)(C)C)CC1 ZINC000055936304 506891587 /nfs/dbraw/zinc/89/15/87/506891587.db2.gz XNYFMLAQLNTXQU-UHFFFAOYSA-N 1 0 362.474 2.896 20 5 FFBDRO CC(C)(C)CC[NH+]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000055933739 506891984 /nfs/dbraw/zinc/89/19/84/506891984.db2.gz OSKDOFADRQBMJE-UHFFFAOYSA-N 1 0 362.474 2.977 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000067544509 506920767 /nfs/dbraw/zinc/92/07/67/506920767.db2.gz UFWVADNGODGTJR-UHFFFAOYSA-N 1 0 369.421 2.998 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2nnc(CN3CC[NH+](C4CCCC4)CC3)o2)cc1 ZINC000045753705 507012491 /nfs/dbraw/zinc/01/24/91/507012491.db2.gz PNBRMNINLSKROJ-UHFFFAOYSA-N 1 0 357.414 2.705 20 5 FFBDRO O=C1[C@H]([NH2+][C@H]2CCCC23CCOCC3)CCN1c1cccc([N+](=O)[O-])c1 ZINC000367050720 512314377 /nfs/dbraw/zinc/31/43/77/512314377.db2.gz RSRIANKFTMKEBH-SJORKVTESA-N 1 0 359.426 2.639 20 5 FFBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000068085598 507105331 /nfs/dbraw/zinc/10/53/31/507105331.db2.gz JMTGWQXZZOXZGI-BETUJISGSA-N 1 0 359.430 2.569 20 5 FFBDRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000068222930 507153351 /nfs/dbraw/zinc/15/33/51/507153351.db2.gz CLMKCNSULILULA-INIZCTEOSA-N 1 0 362.474 2.901 20 5 FFBDRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000057157079 507190620 /nfs/dbraw/zinc/19/06/20/507190620.db2.gz VLGPVOUVCFLXBJ-ZDUSSCGKSA-N 1 0 367.446 2.852 20 5 FFBDRO C[NH+]1CCN(Cc2cccc(NC(=O)c3ccccc3[N+](=O)[O-])c2)CC1 ZINC000057273894 507225581 /nfs/dbraw/zinc/22/55/81/507225581.db2.gz AUNQUDZVAIIZKJ-UHFFFAOYSA-N 1 0 354.410 2.595 20 5 FFBDRO COc1cccc([C@@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2)[NH+](C)C)c1 ZINC000057288612 507229818 /nfs/dbraw/zinc/22/98/18/507229818.db2.gz WHLVRLPTTVVOHD-GOSISDBHSA-N 1 0 357.410 2.565 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000023081649 507328581 /nfs/dbraw/zinc/32/85/81/507328581.db2.gz BJNWLXKFCXDFEH-INIZCTEOSA-N 1 0 357.410 2.506 20 5 FFBDRO CCCc1n[nH]c(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000068830943 507335945 /nfs/dbraw/zinc/33/59/45/507335945.db2.gz BOXOGFVSDPDPAI-UHFFFAOYSA-N 1 0 371.441 2.665 20 5 FFBDRO C[C@H]1CCC[C@](CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])([NH+](C)C)C1 ZINC000058066332 507368712 /nfs/dbraw/zinc/36/87/12/507368712.db2.gz RWFQCLXYJIXYTD-GUYCJALGSA-N 1 0 369.487 2.921 20 5 FFBDRO Cc1cccc(C(=O)NCc2cccc(OCC[NH+](C)C)c2)c1[N+](=O)[O-] ZINC000047672881 507377798 /nfs/dbraw/zinc/37/77/98/507377798.db2.gz BSFFZQDWMBWYAJ-UHFFFAOYSA-N 1 0 357.410 2.774 20 5 FFBDRO Cc1ccc(C(=O)NCc2cccc(OCC[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000047672894 507378275 /nfs/dbraw/zinc/37/82/75/507378275.db2.gz UYPUYDYOGSIKNW-UHFFFAOYSA-N 1 0 357.410 2.774 20 5 FFBDRO CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000058273997 507398357 /nfs/dbraw/zinc/39/83/57/507398357.db2.gz XEIBEGVECRJMBI-CHWSQXEVSA-N 1 0 369.849 2.864 20 5 FFBDRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000069124845 507415408 /nfs/dbraw/zinc/41/54/08/507415408.db2.gz ZTDPTIGZEWGGRR-OAHLLOKOSA-N 1 0 367.471 2.542 20 5 FFBDRO O=C(NC1CC1)[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000069163014 507426067 /nfs/dbraw/zinc/42/60/67/507426067.db2.gz JZYUSNCFBMIJJL-SFHVURJKSA-N 1 0 357.385 2.886 20 5 FFBDRO C[NH+](C)CCOc1ccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)cc1 ZINC000058492308 507427318 /nfs/dbraw/zinc/42/73/18/507427318.db2.gz HDMAZVXZEYISNY-UHFFFAOYSA-N 1 0 362.361 2.509 20 5 FFBDRO CCc1ccc([C@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)[NH+](C)C)cc1 ZINC000048313126 507500197 /nfs/dbraw/zinc/50/01/97/507500197.db2.gz OKYGPVDBSXKPPQ-KRWDZBQOSA-N 1 0 374.416 2.911 20 5 FFBDRO NC(=O)c1ccc(NC2CC[NH+](Cc3ccc(F)cc3)CC2)c([N+](=O)[O-])c1 ZINC000059393782 507500345 /nfs/dbraw/zinc/50/03/45/507500345.db2.gz DXAXLJCPBCBJTQ-UHFFFAOYSA-N 1 0 372.400 2.909 20 5 FFBDRO Cc1ccc(OCC[N@@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000025699651 507523974 /nfs/dbraw/zinc/52/39/74/507523974.db2.gz WAHNRPTVLWRIOQ-QGZVFWFLSA-N 1 0 360.410 2.654 20 5 FFBDRO Cc1sc(C(=O)Nc2ccc(CN3CC[NH+](C)CC3)cc2)cc1[N+](=O)[O-] ZINC000049733564 507634863 /nfs/dbraw/zinc/63/48/63/507634863.db2.gz XGESAHHXESWFHH-UHFFFAOYSA-N 1 0 374.466 2.964 20 5 FFBDRO CCC[NH+]1CCC(NC(=O)c2cc(OC)c(OCC)cc2[N+](=O)[O-])CC1 ZINC000071035757 507684597 /nfs/dbraw/zinc/68/45/97/507684597.db2.gz NAMDDNMKLCUQNG-UHFFFAOYSA-N 1 0 365.430 2.606 20 5 FFBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000063530164 507743293 /nfs/dbraw/zinc/74/32/93/507743293.db2.gz QKJQESICTNPPCA-MRXNPFEDSA-N 1 0 374.485 2.658 20 5 FFBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000051341656 507762957 /nfs/dbraw/zinc/76/29/57/507762957.db2.gz GXZDJNUYWLJJJQ-CQSZACIVSA-N 1 0 360.439 2.932 20 5 FFBDRO CCC(CC)[C@H](CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])[NH+](C)C ZINC000029873774 507794326 /nfs/dbraw/zinc/79/43/26/507794326.db2.gz BGRWNXAMFSLIBH-INIZCTEOSA-N 1 0 357.476 2.777 20 5 FFBDRO O=[N+]([O-])c1ccc(NCCCC[NH+]2CCN(Cc3ccccc3)CC2)nc1 ZINC000052430654 507809117 /nfs/dbraw/zinc/80/91/17/507809117.db2.gz PWKZKHJFLRHRIC-UHFFFAOYSA-N 1 0 369.469 3.000 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+](C2CC2)[C@H]2CCCc3ccccc32)c1 ZINC000072580332 507827568 /nfs/dbraw/zinc/82/75/68/507827568.db2.gz FLFJHNSUQVVGGW-MJGOQNOKSA-N 1 0 356.426 2.694 20 5 FFBDRO CC[NH+](CC)CCC[C@H](C)Nc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000089619537 507851210 /nfs/dbraw/zinc/85/12/10/507851210.db2.gz YWCBWEJUBNHRGG-ZDUSSCGKSA-N 1 0 357.476 2.921 20 5 FFBDRO CC[NH+](CC)C[C@@H]1CCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000072823449 507858115 /nfs/dbraw/zinc/85/81/15/507858115.db2.gz YEJIIPABMGIXCV-HOTGVXAUSA-N 1 0 362.474 2.894 20 5 FFBDRO CC[NH+](CC)C[C@@H]1CCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000072823507 507858182 /nfs/dbraw/zinc/85/81/82/507858182.db2.gz GCDAGGDBVLJGOO-ZDUSSCGKSA-N 1 0 368.865 2.850 20 5 FFBDRO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000107599932 507858884 /nfs/dbraw/zinc/85/88/84/507858884.db2.gz GMXXXEZEBCFJHZ-MRXNPFEDSA-N 1 0 358.442 2.870 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)c1 ZINC000110356103 508022792 /nfs/dbraw/zinc/02/27/92/508022792.db2.gz PTHLVRLZDWVDHG-AWEZNQCLSA-N 1 0 357.410 2.854 20 5 FFBDRO C[N@@H+]1CC[C@H](CNC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000110654266 508039839 /nfs/dbraw/zinc/03/98/39/508039839.db2.gz WIXUETOYNVOFJG-MRXNPFEDSA-N 1 0 368.437 2.888 20 5 FFBDRO C[C@H]1C[C@@H]1c1ccc(C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C2CC2)o1 ZINC000075588837 508120404 /nfs/dbraw/zinc/12/04/04/508120404.db2.gz FSMPWCOSJHILKC-NUTKFTJISA-N 1 0 360.414 2.533 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2noc(CN3CC[C@H](C[NH+]4CCCCC4)C3)n2)c1 ZINC000075836591 508136638 /nfs/dbraw/zinc/13/66/38/508136638.db2.gz FSQQDDBTEZFTKY-OAHLLOKOSA-N 1 0 371.441 2.953 20 5 FFBDRO CNc1ccc(C(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000081127242 508140372 /nfs/dbraw/zinc/14/03/72/508140372.db2.gz GDRDOZGNQOIUKN-KRWDZBQOSA-N 1 0 368.437 2.983 20 5 FFBDRO COc1ccc(-c2ccc(C[N@@H+]3CCC[C@@H](CC(N)=O)C3)o2)c([N+](=O)[O-])c1 ZINC000093808899 508156085 /nfs/dbraw/zinc/15/60/85/508156085.db2.gz LYRLVYLUGISEHK-ZDUSSCGKSA-N 1 0 373.409 2.951 20 5 FFBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000081293691 508157633 /nfs/dbraw/zinc/15/76/33/508157633.db2.gz AQRMSWYMUWBNDJ-MRXNPFEDSA-N 1 0 360.458 2.778 20 5 FFBDRO CNC(=O)[C@H](C)C[N@H+](C)Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000093899212 508159436 /nfs/dbraw/zinc/15/94/36/508159436.db2.gz NWIDVXINWODQBI-GFCCVEGCSA-N 1 0 361.398 2.677 20 5 FFBDRO CC(C)c1ccc(C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000375534634 512381277 /nfs/dbraw/zinc/38/12/77/512381277.db2.gz QEGZIPKHAJGOGD-INIZCTEOSA-N 1 0 374.485 2.617 20 5 FFBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 ZINC000081363968 508167780 /nfs/dbraw/zinc/16/77/80/508167780.db2.gz HXHDWGDSCQYJST-MRXNPFEDSA-N 1 0 374.485 2.999 20 5 FFBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000081363501 508167798 /nfs/dbraw/zinc/16/77/98/508167798.db2.gz OOONOZNWUXXEBQ-INIZCTEOSA-N 1 0 362.474 2.977 20 5 FFBDRO CCC[N@H+](C)C[C@H]1CCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000081571212 508191780 /nfs/dbraw/zinc/19/17/80/508191780.db2.gz XFRPZCWSQFJHCH-CYBMUJFWSA-N 1 0 368.865 2.850 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000077178360 508284135 /nfs/dbraw/zinc/28/41/35/508284135.db2.gz SFIHMCLGUZGYSV-AWEZNQCLSA-N 1 0 362.430 2.526 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000085620614 508314437 /nfs/dbraw/zinc/31/44/37/508314437.db2.gz CAOOOQWZFGYMFN-UHFFFAOYSA-N 1 0 362.430 2.540 20 5 FFBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2C)[C@H](C)C1 ZINC000115275144 508380557 /nfs/dbraw/zinc/38/05/57/508380557.db2.gz VOVZGNMBHUQSRW-QAPCUYQASA-N 1 0 363.458 2.770 20 5 FFBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2C)[C@H](C)C1 ZINC000115275146 508380672 /nfs/dbraw/zinc/38/06/72/508380672.db2.gz VOVZGNMBHUQSRW-CRAIPNDOSA-N 1 0 363.458 2.770 20 5 FFBDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C1 ZINC000156413657 508417166 /nfs/dbraw/zinc/41/71/66/508417166.db2.gz YFKZRPKJNWPDDT-GJZGRUSLSA-N 1 0 360.458 2.785 20 5 FFBDRO C[NH+](C)Cc1ccc(CNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000152379223 508434609 /nfs/dbraw/zinc/43/46/09/508434609.db2.gz NDBJFRUZHCDXSI-UHFFFAOYSA-N 1 0 368.437 2.924 20 5 FFBDRO CS[C@H](CO)[C@@H](C)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000152477678 508454298 /nfs/dbraw/zinc/45/42/98/508454298.db2.gz GUMVULVSKVDOGA-QMTHXVAHSA-N 1 0 353.469 2.920 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000121954902 508456462 /nfs/dbraw/zinc/45/64/62/508456462.db2.gz YYUBKWGKMFGDKN-UHFFFAOYSA-N 1 0 361.373 2.734 20 5 FFBDRO Cc1n[nH]c(C(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)c1[N+](=O)[O-] ZINC000116206381 508486242 /nfs/dbraw/zinc/48/62/42/508486242.db2.gz CNCGXAHGIVDULC-ZDUSSCGKSA-N 1 0 371.441 2.788 20 5 FFBDRO C[C@@H](C(=O)NCCc1ccccc1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153200015 508558027 /nfs/dbraw/zinc/55/80/27/508558027.db2.gz DMWRQUPEKQXTNX-HNNXBMFYSA-N 1 0 353.422 2.700 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000134918805 508575334 /nfs/dbraw/zinc/57/53/34/508575334.db2.gz SPTFVWARVUCHDM-ZBFHGGJFSA-N 1 0 369.421 2.996 20 5 FFBDRO CC(C)C[C@](C)(C[NH3+])NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000157540872 508578782 /nfs/dbraw/zinc/57/87/82/508578782.db2.gz YBGWHMLWEZNIBR-MEDUHNTESA-N 1 0 357.838 2.895 20 5 FFBDRO C[C@@H]1C[C@@H](N(C)C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC[N@@H+]1C ZINC000122833204 508593378 /nfs/dbraw/zinc/59/33/78/508593378.db2.gz WSQARMJTRPPPTF-WBVHZDCISA-N 1 0 374.485 2.752 20 5 FFBDRO COc1ccccc1[C@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000157949485 508636765 /nfs/dbraw/zinc/63/67/65/508636765.db2.gz BTWZYBHJQSBTGR-AWEZNQCLSA-N 1 0 355.394 2.692 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCS[C@@H](C)[C@H]1C ZINC000118415708 508650563 /nfs/dbraw/zinc/65/05/63/508650563.db2.gz DAXZMQJOJIKWGS-NEPJUHHUSA-N 1 0 353.444 2.758 20 5 FFBDRO C[C@H]1C[C@H](N(C)CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000123199253 508650846 /nfs/dbraw/zinc/65/08/46/508650846.db2.gz UHUBGROLADNFKN-WCQYABFASA-N 1 0 354.838 2.601 20 5 FFBDRO C[NH+](C)CCCC1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000123243400 508657717 /nfs/dbraw/zinc/65/77/17/508657717.db2.gz RQLGNVIGSYYEFI-UHFFFAOYSA-N 1 0 374.485 2.538 20 5 FFBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1OC ZINC000123351410 508673484 /nfs/dbraw/zinc/67/34/84/508673484.db2.gz UQPCNJFDTCBWLH-OLZOCXBDSA-N 1 0 365.430 2.557 20 5 FFBDRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000153917651 508677252 /nfs/dbraw/zinc/67/72/52/508677252.db2.gz CBMZNTZLRSYNBF-HUUCEWRRSA-N 1 0 352.504 2.647 20 5 FFBDRO O=C(C[N@@H+]1CC[C@@H](c2ccccc2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000123388086 508679917 /nfs/dbraw/zinc/67/99/17/508679917.db2.gz DYDMSUQTCAILKC-QGZVFWFLSA-N 1 0 351.406 2.973 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000118828642 508680384 /nfs/dbraw/zinc/68/03/84/508680384.db2.gz DFIOPZJUGQHLLS-QGZVFWFLSA-N 1 0 360.458 2.792 20 5 FFBDRO NC(=O)c1ccc(CN2CCC[C@@H](C[NH+]3CCCCCC3)C2)c([N+](=O)[O-])c1 ZINC000118834184 508681447 /nfs/dbraw/zinc/68/14/47/508681447.db2.gz BHXCVONCIWMBBQ-INIZCTEOSA-N 1 0 374.485 2.782 20 5 FFBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1cccc2c1C[N@H+](CC(C)C)C2 ZINC000158277127 508681726 /nfs/dbraw/zinc/68/17/26/508681726.db2.gz YMTFJOVAKVHRHX-UHFFFAOYSA-N 1 0 357.414 2.710 20 5 FFBDRO CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000153970117 508689018 /nfs/dbraw/zinc/68/90/18/508689018.db2.gz VQUQBTVWHQHZGK-IBGZPJMESA-N 1 0 371.437 2.852 20 5 FFBDRO Cc1ccc(C[NH+](C)C)cc1NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000154029926 508701959 /nfs/dbraw/zinc/70/19/59/508701959.db2.gz TWCURNFTAXXVSB-UHFFFAOYSA-N 1 0 363.439 2.907 20 5 FFBDRO Cn1cc([C@H](O)C[C@H]2CCC[N@@H+]2CCCOc2ccc([N+](=O)[O-])cc2)cn1 ZINC000371454785 512411608 /nfs/dbraw/zinc/41/16/08/512411608.db2.gz BDYRCVCGEJAXLU-IEBWSBKVSA-N 1 0 374.441 2.685 20 5 FFBDRO CCC[NH+]1CCC(N(C)C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000158493066 508712469 /nfs/dbraw/zinc/71/24/69/508712469.db2.gz MIFXEOJDPPLIRY-UHFFFAOYSA-N 1 0 358.442 2.951 20 5 FFBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCC[C@H]([NH3+])C3)cc2[N+](=O)[O-])C1 ZINC000158521099 508716510 /nfs/dbraw/zinc/71/65/10/508716510.db2.gz VXAZRCVZYVQTJJ-LZWOXQAQSA-N 1 0 360.458 2.640 20 5 FFBDRO Cc1cc(S(=O)(=O)NC2CC[NH+](C(C)(C)C)CC2)cc([N+](=O)[O-])c1F ZINC000154251856 508745725 /nfs/dbraw/zinc/74/57/25/508745725.db2.gz WPAAZDIWVLGZAA-UHFFFAOYSA-N 1 0 373.450 2.584 20 5 FFBDRO CN(CCC[NH3+])C(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000158779015 508751717 /nfs/dbraw/zinc/75/17/17/508751717.db2.gz JRDCLZPJKVTBFK-UHFFFAOYSA-N 1 0 372.212 2.508 20 5 FFBDRO CCCc1n[nH]c(C(=O)N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000137507242 508759465 /nfs/dbraw/zinc/75/94/65/508759465.db2.gz QWMWUBHEIMJBLQ-HIFRSBDPSA-N 1 0 371.441 2.663 20 5 FFBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000119419011 508792050 /nfs/dbraw/zinc/79/20/50/508792050.db2.gz SDPBKEZVVXTMJZ-INIZCTEOSA-N 1 0 362.474 2.881 20 5 FFBDRO O=C(CC1([NH+]2CCOCC2)CCCC1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000119438237 508796190 /nfs/dbraw/zinc/79/61/90/508796190.db2.gz JTSBNCHJWJGYRN-UHFFFAOYSA-N 1 0 373.453 2.515 20 5 FFBDRO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000124552169 508850469 /nfs/dbraw/zinc/85/04/69/508850469.db2.gz WSTOFKOOTYGKBL-OAHLLOKOSA-N 1 0 358.442 2.679 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000119852271 508876067 /nfs/dbraw/zinc/87/60/67/508876067.db2.gz ZUKVLCUDLWACMZ-HUUCEWRRSA-N 1 0 364.446 2.832 20 5 FFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000119859928 508878013 /nfs/dbraw/zinc/87/80/13/508878013.db2.gz UEKGQFYWMCULRP-DYVFJYSZSA-N 1 0 357.385 2.984 20 5 FFBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccccc1C(F)(F)F ZINC000159711095 508879039 /nfs/dbraw/zinc/87/90/39/508879039.db2.gz KBEYRBYDIUBJIL-UHFFFAOYSA-N 1 0 355.316 2.907 20 5 FFBDRO COc1ccc(-c2ccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)o2)c([N+](=O)[O-])c1 ZINC000155005958 508902791 /nfs/dbraw/zinc/90/27/91/508902791.db2.gz ZSBPXGVGMFSBMK-LBPRGKRZSA-N 1 0 359.382 2.561 20 5 FFBDRO COC(=O)c1ccc(C[N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000125187702 508944282 /nfs/dbraw/zinc/94/42/82/508944282.db2.gz KZZXDECYTSVLFO-UHFFFAOYSA-N 1 0 371.393 2.842 20 5 FFBDRO C[C@H]1C[C@@H]([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CN1C1CC1 ZINC000151102586 508956807 /nfs/dbraw/zinc/95/68/07/508956807.db2.gz XPMHSOLAZYVRFZ-XJKSGUPXSA-N 1 0 355.442 2.710 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000120242431 508957210 /nfs/dbraw/zinc/95/72/10/508957210.db2.gz ULMIKCCQDNJJMC-HNNXBMFYSA-N 1 0 369.487 2.550 20 5 FFBDRO CC[NH+]1CCC(CCNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC1 ZINC000120274635 508963405 /nfs/dbraw/zinc/96/34/05/508963405.db2.gz VFGGRNFEBMDLAH-UHFFFAOYSA-N 1 0 371.441 2.632 20 5 FFBDRO CC[N@H+](CCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1)C1CC1 ZINC000120303814 508968079 /nfs/dbraw/zinc/96/80/79/508968079.db2.gz FOQSDQJXFHZHAP-UHFFFAOYSA-N 1 0 356.220 2.571 20 5 FFBDRO C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000125390214 508976242 /nfs/dbraw/zinc/97/62/42/508976242.db2.gz NMLAAOBWIXFPKE-SNVBAGLBSA-N 1 0 363.867 2.503 20 5 FFBDRO Cc1ccc(NCCCNC(=O)C[C@@H](C)C2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000160484522 508993709 /nfs/dbraw/zinc/99/37/09/508993709.db2.gz IPBUYDXUESBYTP-OAHLLOKOSA-N 1 0 362.474 2.847 20 5 FFBDRO C[N@H+](CCC1CCOCC1)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000120691021 509045679 /nfs/dbraw/zinc/04/56/79/509045679.db2.gz ZXYRDYWMZCNNFR-UHFFFAOYSA-N 1 0 355.822 2.935 20 5 FFBDRO COc1ccc(OCC[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000160911621 509047400 /nfs/dbraw/zinc/04/74/00/509047400.db2.gz FTHQDDXZLQILOV-KDOFPFPSSA-N 1 0 350.415 2.609 20 5 FFBDRO C[C@@H]1CN(C)C[C@@H](C)N1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000155674500 509050250 /nfs/dbraw/zinc/05/02/50/509050250.db2.gz GZGHWFUEOACTTE-VXGBXAGGSA-N 1 0 360.439 2.883 20 5 FFBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)CN2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000151782666 509082344 /nfs/dbraw/zinc/08/23/44/509082344.db2.gz OAUBAUOTASBPRK-OXJNMPFZSA-N 1 0 369.465 2.973 20 5 FFBDRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000126673150 509111477 /nfs/dbraw/zinc/11/14/77/509111477.db2.gz HSKNEAAMRYYPJA-GFCCVEGCSA-N 1 0 372.450 2.932 20 5 FFBDRO CC[N@@H+]1CCCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000133428939 509158953 /nfs/dbraw/zinc/15/89/53/509158953.db2.gz CRZWPZYKRSTISZ-UHFFFAOYSA-N 1 0 360.439 2.886 20 5 FFBDRO [NH3+][C@H](Cc1ccccc1)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000161976213 509167364 /nfs/dbraw/zinc/16/73/64/509167364.db2.gz FSIZLBPYDRPRQA-LJQANCHMSA-N 1 0 369.421 2.535 20 5 FFBDRO CCCN(CC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000121389054 509171309 /nfs/dbraw/zinc/17/13/09/509171309.db2.gz BVUHQTPVAXMVAP-UHFFFAOYSA-N 1 0 358.236 2.771 20 5 FFBDRO Cc1ccsc1[C@@H](C)[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000162106157 509172430 /nfs/dbraw/zinc/17/24/30/509172430.db2.gz QABJBWHOFWGLMZ-GFCCVEGCSA-N 1 0 369.468 2.594 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)C[NH+]1CCCCCC1 ZINC000185499351 509206486 /nfs/dbraw/zinc/20/64/86/509206486.db2.gz OZCCBJFTSJXCTF-ZDUSSCGKSA-N 1 0 350.419 2.989 20 5 FFBDRO CN(C(=O)CN1CCC(O)(c2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000185500655 509208098 /nfs/dbraw/zinc/20/80/98/509208098.db2.gz BYDWZSYUKUTHOR-UHFFFAOYSA-N 1 0 369.421 2.541 20 5 FFBDRO Cc1c([C@@H](C)[NH2+]CCNS(=O)(=O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000162477733 509232509 /nfs/dbraw/zinc/23/25/09/509232509.db2.gz QMAJGGHCVBAQHZ-CQSZACIVSA-N 1 0 363.439 2.532 20 5 FFBDRO C[C@@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H]1COc2ccccc21 ZINC000185595051 509255296 /nfs/dbraw/zinc/25/52/96/509255296.db2.gz MCGDLCQBOPSQEO-DYVFJYSZSA-N 1 0 367.405 2.638 20 5 FFBDRO C[N@@H+](Cc1cc(F)c(F)c(F)c1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182475196 509257945 /nfs/dbraw/zinc/25/79/45/509257945.db2.gz JIVKBVQIFXRSHM-LBPRGKRZSA-N 1 0 370.327 2.884 20 5 FFBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000172834655 509264355 /nfs/dbraw/zinc/26/43/55/509264355.db2.gz DZQVCOODAGTLJP-HNNXBMFYSA-N 1 0 371.441 2.727 20 5 FFBDRO CC[NH+](CC)CCNC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000162720569 509287608 /nfs/dbraw/zinc/28/76/08/509287608.db2.gz JFGXMEZYIZTTHQ-UHFFFAOYSA-N 1 0 358.236 2.737 20 5 FFBDRO C[C@@H](Nc1ccc(C(=O)N(C)[C@@H](C)C[NH3+])cc1[N+](=O)[O-])c1ccccn1 ZINC000179185897 509310268 /nfs/dbraw/zinc/31/02/68/509310268.db2.gz ACOQZRBEMHDINQ-QWHCGFSZSA-N 1 0 357.414 2.582 20 5 FFBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000192090695 509340950 /nfs/dbraw/zinc/34/09/50/509340950.db2.gz PZYWWZGUIYBSRG-LSDHHAIUSA-N 1 0 354.769 2.704 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(C(=O)N2CCOCC2)CC1 ZINC000182636450 509344463 /nfs/dbraw/zinc/34/44/63/509344463.db2.gz YIAVXNTYVHNXKU-OAHLLOKOSA-N 1 0 361.442 2.535 20 5 FFBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000248546822 509358572 /nfs/dbraw/zinc/35/85/72/509358572.db2.gz DZMNDKSUUPEUIR-ZIAGYGMSSA-N 1 0 351.422 2.932 20 5 FFBDRO C[C@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(C)(C)C[NH+](C)C ZINC000173053194 509369320 /nfs/dbraw/zinc/36/93/20/509369320.db2.gz WIQYKROYYRXGLA-AWEZNQCLSA-N 1 0 362.474 2.901 20 5 FFBDRO CCN(C(=O)c1c([N+](=O)[O-])cnn1C)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000163404724 509373037 /nfs/dbraw/zinc/37/30/37/509373037.db2.gz HYWGBDIMDWKDJE-HOCLYGCPSA-N 1 0 371.441 2.626 20 5 FFBDRO CCc1n[nH]c(C(=O)NC(C)(C)C[N@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000185888789 509409861 /nfs/dbraw/zinc/40/98/61/509409861.db2.gz VCWKVZPXXMLSMD-UHFFFAOYSA-N 1 0 359.430 2.521 20 5 FFBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)n1 ZINC000248656744 509421863 /nfs/dbraw/zinc/42/18/63/509421863.db2.gz DWSGROIMUOAKEV-CABCVRRESA-N 1 0 363.462 2.538 20 5 FFBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CCC[C@@H](C[NH3+])C2)CC1 ZINC000236665420 509474280 /nfs/dbraw/zinc/47/42/80/509474280.db2.gz TWHLIVBGWFWKSM-HNNXBMFYSA-N 1 0 360.458 2.642 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N3C[C@H](C)[NH2+]C[C@H]3C)cc2[N+](=O)[O-])CC1 ZINC000236669426 509476569 /nfs/dbraw/zinc/47/65/69/509476569.db2.gz ROLGAUVIALQCFH-LSDHHAIUSA-N 1 0 360.458 2.654 20 5 FFBDRO C[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])CC1(c2ccccc2)CC1 ZINC000189298221 509507484 /nfs/dbraw/zinc/50/74/84/509507484.db2.gz JREIMLMRCMWELA-QGZVFWFLSA-N 1 0 356.422 2.998 20 5 FFBDRO C[N@H+]1C[C@H]2CN(C(=O)c3ccc(Nc4ccccc4)c([N+](=O)[O-])c3)C[C@H]2C1 ZINC000192486092 509537021 /nfs/dbraw/zinc/53/70/21/509537021.db2.gz XIAWIGAIPQOYAD-IYBDPMFKSA-N 1 0 366.421 2.972 20 5 FFBDRO COc1ccc(COC[C@H](O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000173356469 509550593 /nfs/dbraw/zinc/55/05/93/509550593.db2.gz RSNJFKYBUXDTRX-KBXCAEBGSA-N 1 0 360.410 2.832 20 5 FFBDRO CC[NH2+]CC1CCN(C(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000237038143 509557119 /nfs/dbraw/zinc/55/71/19/509557119.db2.gz HYYGKZYRKKLSCF-UHFFFAOYSA-N 1 0 367.471 2.787 20 5 FFBDRO C[NH+](C)CC1(CNC(=O)CSc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000186187142 509566661 /nfs/dbraw/zinc/56/66/61/509566661.db2.gz VBQIKJWRHBLECJ-UHFFFAOYSA-N 1 0 351.472 2.925 20 5 FFBDRO CC[C@H]1CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000165982126 509590985 /nfs/dbraw/zinc/59/09/85/509590985.db2.gz BHLOEQODUSMBPU-TVQRCGJNSA-N 1 0 356.220 2.557 20 5 FFBDRO COc1cc(C[NH2+][C@H]2CCCOC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000237238285 509601542 /nfs/dbraw/zinc/60/15/42/509601542.db2.gz VONFJCHEQKDOPT-NSHDSACASA-N 1 0 364.320 2.813 20 5 FFBDRO O=C(CC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)Nc1ccc(F)cc1 ZINC000173467628 509618939 /nfs/dbraw/zinc/61/89/39/509618939.db2.gz UKXGHSJTYRPTBT-HNNXBMFYSA-N 1 0 373.388 2.644 20 5 FFBDRO COc1ccc(OC)c(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000173471901 509622597 /nfs/dbraw/zinc/62/25/97/509622597.db2.gz ZDZSFNNVODEQSB-AWEZNQCLSA-N 1 0 358.398 2.693 20 5 FFBDRO C[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)[N@H+](C)C1CC1 ZINC000267919822 509670975 /nfs/dbraw/zinc/67/09/75/509670975.db2.gz JADHNWNMRQIOJH-QMMMGPOBSA-N 1 0 374.210 2.709 20 5 FFBDRO C[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)[N@H+](C)C1CC1 ZINC000267919819 509671439 /nfs/dbraw/zinc/67/14/39/509671439.db2.gz JADHNWNMRQIOJH-MRVPVSSYSA-N 1 0 374.210 2.709 20 5 FFBDRO CCOCCC[N@@H+]1CC[C@@H](NCc2c(F)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000249473470 509689016 /nfs/dbraw/zinc/68/90/16/509689016.db2.gz UWWDTJVYHQMCFH-WMLDXEAASA-N 1 0 353.438 2.961 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000176845891 509722274 /nfs/dbraw/zinc/72/22/74/509722274.db2.gz MHTMJMRXEGONBY-UHFFFAOYSA-N 1 0 364.446 2.619 20 5 FFBDRO C[N@H+](CCCNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)C1CCCCC1 ZINC000180241091 509829582 /nfs/dbraw/zinc/82/95/82/509829582.db2.gz NPNRYDPUTFVKCZ-UHFFFAOYSA-N 1 0 363.414 2.708 20 5 FFBDRO COc1ccc(OCCN2CC[C@H](C[NH+]3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000173880970 509832224 /nfs/dbraw/zinc/83/22/24/509832224.db2.gz KKQPCZJORCGLAT-MRXNPFEDSA-N 1 0 363.458 2.790 20 5 FFBDRO CC[C@@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)CCS1 ZINC000173930039 509859472 /nfs/dbraw/zinc/85/94/72/509859472.db2.gz JHMPUZOQUCSWAZ-CYBMUJFWSA-N 1 0 353.444 2.759 20 5 FFBDRO CN(CC[N@H+](C)C1CC1)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000186707233 509865284 /nfs/dbraw/zinc/86/52/84/509865284.db2.gz YIKVSTUCSRJNMC-UHFFFAOYSA-N 1 0 360.439 2.885 20 5 FFBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NC[C@H]3CCC[N@@H+]3C)cc2[N+](=O)[O-])C1 ZINC000253356598 509869789 /nfs/dbraw/zinc/86/97/89/509869789.db2.gz VNUKBCPTSYDOIY-BFYDXBDKSA-N 1 0 374.485 2.901 20 5 FFBDRO C[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cc(Cl)ccc1Cl ZINC000189996338 509874693 /nfs/dbraw/zinc/87/46/93/509874693.db2.gz ILBXYGXUVMKABB-SKDRFNHKSA-N 1 0 359.213 2.810 20 5 FFBDRO C[C@@H]([NH2+]CC(=O)NCCCN(C)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180400905 509906252 /nfs/dbraw/zinc/90/62/52/509906252.db2.gz WMNZIGPBCKUFAH-MRXNPFEDSA-N 1 0 370.453 2.888 20 5 FFBDRO COC(=O)c1ccc(C)c(NC(=O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000180447494 509929276 /nfs/dbraw/zinc/92/92/76/509929276.db2.gz SNGTTZXGFPHFSS-ZDUSSCGKSA-N 1 0 371.393 2.979 20 5 FFBDRO C[C@H]1C[C@H](NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000177195606 509930669 /nfs/dbraw/zinc/93/06/69/509930669.db2.gz FYYSZQRVIJMAAW-AAEUAGOBSA-N 1 0 367.833 2.759 20 5 FFBDRO CC[NH+](CC)[C@@H]1CCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000245450094 509941823 /nfs/dbraw/zinc/94/18/23/509941823.db2.gz OHKGCMMAEZZDCX-TZMCWYRMSA-N 1 0 368.865 2.991 20 5 FFBDRO CC[NH+](CC)[C@@H](CNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)c1ccsc1 ZINC000186928503 509956852 /nfs/dbraw/zinc/95/68/52/509956852.db2.gz RVPBUHRCQACTMF-AWEZNQCLSA-N 1 0 364.427 2.570 20 5 FFBDRO CC[NH+]1CCC(CCNC(=O)NCc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000174183646 509989895 /nfs/dbraw/zinc/98/98/95/509989895.db2.gz JMSQHBXNQAFMEG-UHFFFAOYSA-N 1 0 364.446 2.525 20 5 FFBDRO CCOCCC[N@@H+]1CC[C@@H](NCc2c(F)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC000187015573 510006853 /nfs/dbraw/zinc/00/68/53/510006853.db2.gz UWWDTJVYHQMCFH-RHSMWYFYSA-N 1 0 353.438 2.961 20 5 FFBDRO CC1([C@H]2CCC[N@H+](Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)C2)OCCO1 ZINC000183869017 510014589 /nfs/dbraw/zinc/01/45/89/510014589.db2.gz CLXATWOGVXYSOQ-AWEZNQCLSA-N 1 0 374.397 2.620 20 5 FFBDRO CC[C@@H](O)CC[NH2+]Cc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000268703697 510078100 /nfs/dbraw/zinc/07/81/00/510078100.db2.gz VVLIVHUJZMUIET-LLVKDONJSA-N 1 0 366.336 2.795 20 5 FFBDRO [NH3+]C1(c2noc(CCOc3ccc(Cl)cc3[N+](=O)[O-])n2)CCCC1 ZINC000261849397 510089242 /nfs/dbraw/zinc/08/92/42/510089242.db2.gz SSGGNLDENPFLHP-UHFFFAOYSA-N 1 0 352.778 2.981 20 5 FFBDRO Cc1c(NC(=O)CC[NH+]2CCC(c3ncc[nH]3)CC2)cccc1[N+](=O)[O-] ZINC000265531710 510101914 /nfs/dbraw/zinc/10/19/14/510101914.db2.gz VMCYREKMZYFYCC-UHFFFAOYSA-N 1 0 357.414 2.835 20 5 FFBDRO CCOc1cc(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])cc1OC ZINC000177555673 510131707 /nfs/dbraw/zinc/13/17/07/510131707.db2.gz CSQJQDFRBUQTNO-CHWSQXEVSA-N 1 0 365.430 2.605 20 5 FFBDRO COc1ccc(CN2C[C@H](C)[C@H]([NH3+])C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000261970064 510132481 /nfs/dbraw/zinc/13/24/81/510132481.db2.gz IEHVYQBCLAOAOR-KBXCAEBGSA-N 1 0 371.437 2.961 20 5 FFBDRO CCOc1cc(C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)c([N+](=O)[O-])cc1OC ZINC000177555643 510132563 /nfs/dbraw/zinc/13/25/63/510132563.db2.gz CSQJQDFRBUQTNO-OLZOCXBDSA-N 1 0 365.430 2.605 20 5 FFBDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000180830102 510133771 /nfs/dbraw/zinc/13/37/71/510133771.db2.gz FPHSIGFOUWABNC-INIZCTEOSA-N 1 0 368.437 2.771 20 5 FFBDRO CC(=O)c1ccc(NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c([N+](=O)[O-])c1 ZINC000268930695 510143223 /nfs/dbraw/zinc/14/32/23/510143223.db2.gz BZZHHRWJOJQUBZ-HKUYNNGSSA-N 1 0 361.442 2.977 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000193947924 510143535 /nfs/dbraw/zinc/14/35/35/510143535.db2.gz JCTBIILOVMSSRH-KGLIPLIRSA-N 1 0 364.446 2.523 20 5 FFBDRO C[NH+]1CCC2(CC1)C[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)c1ccccc1O2 ZINC000193953346 510146811 /nfs/dbraw/zinc/14/68/11/510146811.db2.gz ZJNXFNWNWORPNO-AWEZNQCLSA-N 1 0 371.393 2.906 20 5 FFBDRO CC[N@H+](C)[C@@H](C(=O)NCc1cc([N+](=O)[O-])ccc1OC)c1ccccc1 ZINC000171479081 510186315 /nfs/dbraw/zinc/18/63/15/510186315.db2.gz CKTJNJVFJDFSFV-GOSISDBHSA-N 1 0 357.410 2.913 20 5 FFBDRO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)NC(=O)Nc1ccccc1 ZINC000194057207 510196340 /nfs/dbraw/zinc/19/63/40/510196340.db2.gz RYBFASUNDBTRTK-CHWSQXEVSA-N 1 0 356.382 2.982 20 5 FFBDRO COc1ccccc1CNC(=O)[C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000194056709 510196690 /nfs/dbraw/zinc/19/66/90/510196690.db2.gz RMDDSOMUNNPVKG-KGLIPLIRSA-N 1 0 357.410 2.959 20 5 FFBDRO COc1ccc([C@@H](CO)N(C)Cc2cc(OC)c(F)cc2[N+](=O)[O-])cc1 ZINC000184215194 510197193 /nfs/dbraw/zinc/19/71/93/510197193.db2.gz JZZPCZVYPCMKOP-QGZVFWFLSA-N 1 0 364.373 2.917 20 5 FFBDRO O=[N+]([O-])c1cccc(OCC[N@H+](C[C@@H]2CCCO2)[C@H]2CCSC2)c1 ZINC000245907831 510199859 /nfs/dbraw/zinc/19/98/59/510199859.db2.gz QWJHXIDGNVROHU-RDJZCZTQSA-N 1 0 352.456 2.960 20 5 FFBDRO CCC[N@H+](CC)CCNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000174646954 510227388 /nfs/dbraw/zinc/22/73/88/510227388.db2.gz LBYJNVVWVJIGSG-UHFFFAOYSA-N 1 0 358.236 2.819 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H](c2cccc(F)c2)C2CCCC2)c1 ZINC000181022094 510243467 /nfs/dbraw/zinc/24/34/67/510243467.db2.gz VZIICZWSDCRUPD-MSOLQXFVSA-N 1 0 362.405 2.812 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)c1 ZINC000174711753 510266367 /nfs/dbraw/zinc/26/63/67/510266367.db2.gz SLSSYHJVQQAHAE-INIZCTEOSA-N 1 0 369.425 2.513 20 5 FFBDRO CC(C)(C)[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(F)c1 ZINC000181073975 510268327 /nfs/dbraw/zinc/26/83/27/510268327.db2.gz XHDIPAINRPSTAC-HOTGVXAUSA-N 1 0 350.394 2.668 20 5 FFBDRO CC(C)N1CCC[C@@H]([NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C1=O ZINC000177823727 510274012 /nfs/dbraw/zinc/27/40/12/510274012.db2.gz LVGXJXBPRLMOLV-GOSISDBHSA-N 1 0 361.442 2.837 20 5 FFBDRO CC1CC[NH+](C[C@H]2CCCN(C(=O)c3cc([N+](=O)[O-])ccc3N)C2)CC1 ZINC000184343973 510275985 /nfs/dbraw/zinc/27/59/85/510275985.db2.gz ALNJKFFAEPTVLR-OAHLLOKOSA-N 1 0 360.458 2.761 20 5 FFBDRO CC[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](C)c1cc2ccccc2o1 ZINC000174749438 510290450 /nfs/dbraw/zinc/29/04/50/510290450.db2.gz ZTXWGCZHPKVOAW-XJKSGUPXSA-N 1 0 358.398 2.982 20 5 FFBDRO CC(C)[NH2+]C1CCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000171692503 510311860 /nfs/dbraw/zinc/31/18/60/510311860.db2.gz CIJPGLDNPXDLAJ-UHFFFAOYSA-N 1 0 354.838 2.649 20 5 FFBDRO O=C(CN1CCC[C@@H]1C[NH+]1CCCC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000171707366 510321121 /nfs/dbraw/zinc/32/11/21/510321121.db2.gz IDHRKFRFTIYZPX-CQSZACIVSA-N 1 0 366.849 2.747 20 5 FFBDRO O=[N+]([O-])c1cnn(CC[NH2+]C2(c3ccc(Br)cc3)CC2)c1 ZINC000174837681 510336995 /nfs/dbraw/zinc/33/69/95/510336995.db2.gz QZBZMBKHSHJCMU-UHFFFAOYSA-N 1 0 351.204 2.833 20 5 FFBDRO CC1(CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC[NH2+]CC1 ZINC000181291164 510342390 /nfs/dbraw/zinc/34/23/90/510342390.db2.gz SYKYXDMFLNPGHU-UHFFFAOYSA-N 1 0 363.461 2.661 20 5 FFBDRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000181308531 510349072 /nfs/dbraw/zinc/34/90/72/510349072.db2.gz PADDQRLQUZKZHN-OAHLLOKOSA-N 1 0 356.426 2.915 20 5 FFBDRO COc1cccc(C(=O)NCC[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000178016409 510379020 /nfs/dbraw/zinc/37/90/20/510379020.db2.gz INQXWDDOEXMCGQ-CQSZACIVSA-N 1 0 357.410 2.992 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N[C@@H]3CC[NH2+]C[C@@H]3C)cc2[N+](=O)[O-])CC1 ZINC000262706755 510379089 /nfs/dbraw/zinc/37/90/89/510379089.db2.gz BQNUTFXLCSHYRP-GOEBONIOSA-N 1 0 360.458 2.559 20 5 FFBDRO COc1cc(CN2[C@H](C)CCC[C@H]2CO)c([N+](=O)[O-])cc1OC(F)F ZINC000181404101 510392391 /nfs/dbraw/zinc/39/23/91/510392391.db2.gz RYTZDVKFBDRKQO-PWSUYJOCSA-N 1 0 360.357 2.940 20 5 FFBDRO O=C(c1ccn([C@@H]2CCC[NH2+]C2)n1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000262746717 510394820 /nfs/dbraw/zinc/39/48/20/510394820.db2.gz JWAOJYASRPEUCX-MRXNPFEDSA-N 1 0 369.425 2.521 20 5 FFBDRO Nc1c(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000178151142 510460536 /nfs/dbraw/zinc/46/05/36/510460536.db2.gz NDURWAZVNGCNER-CQSZACIVSA-N 1 0 360.439 2.805 20 5 FFBDRO C[C@H](NC(=O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181540730 510462655 /nfs/dbraw/zinc/46/26/55/510462655.db2.gz OYXSVIOISWLUPG-LSDHHAIUSA-N 1 0 361.442 2.743 20 5 FFBDRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000178181427 510474047 /nfs/dbraw/zinc/47/40/47/510474047.db2.gz OCOCWVGOADVFSQ-UHFFFAOYSA-N 1 0 360.389 2.520 20 5 FFBDRO CCOc1ccc(NC(=O)C[NH2+][C@H](C)c2cccc(O)c2)c([N+](=O)[O-])c1 ZINC000181569546 510478894 /nfs/dbraw/zinc/47/88/94/510478894.db2.gz WWZCGPUKAGBSTH-GFCCVEGCSA-N 1 0 359.382 2.988 20 5 FFBDRO Cc1cc(N2CCC(NC(=O)c3cccc(C)c3[N+](=O)[O-])CC2)nc(C)n1 ZINC000178188595 510479212 /nfs/dbraw/zinc/47/92/12/510479212.db2.gz CISXGGHQTVVOAB-UHFFFAOYSA-N 1 0 369.425 2.709 20 5 FFBDRO O=C(NC1CC[NH+](C2CC2)CC1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000266268816 510490905 /nfs/dbraw/zinc/49/09/05/510490905.db2.gz QBEWXVPOGSBTTD-UHFFFAOYSA-N 1 0 357.332 2.970 20 5 FFBDRO O=C(CNc1ccccc1[N+](=O)[O-])NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000194750686 510510867 /nfs/dbraw/zinc/51/08/67/510510867.db2.gz BHEBLKOHOZYSBY-KRWDZBQOSA-N 1 0 368.437 2.645 20 5 FFBDRO COCC[N@@H+](Cc1ccc2c(c1)OCO2)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269678973 510511228 /nfs/dbraw/zinc/51/12/28/510511228.db2.gz XQQHLUYDKSXORD-KRWDZBQOSA-N 1 0 374.393 2.506 20 5 FFBDRO CC[NH+](CC)[C@H](CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])CC(C)C ZINC000178277956 510523571 /nfs/dbraw/zinc/52/35/71/510523571.db2.gz DUGCAIUUFGDZQV-ZDUSSCGKSA-N 1 0 361.446 3.000 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+](CCC(F)(F)F)Cc2ccccc2)c1 ZINC000191244502 510567292 /nfs/dbraw/zinc/56/72/92/510567292.db2.gz QSTBVIHAPGJVJU-HNNXBMFYSA-N 1 0 372.347 2.607 20 5 FFBDRO COc1ccc(C[NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)cc1O ZINC000178409235 510589505 /nfs/dbraw/zinc/58/95/05/510589505.db2.gz IGNJPYVHPIEAQH-GFCCVEGCSA-N 1 0 359.382 2.816 20 5 FFBDRO CCC[C@]1(COC)CCC[N@@H+]1CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000194941699 510602228 /nfs/dbraw/zinc/60/22/28/510602228.db2.gz ALCBPRKHGIRUFW-GOSISDBHSA-N 1 0 365.430 2.823 20 5 FFBDRO COc1ccccc1CNC(=O)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181830186 510616181 /nfs/dbraw/zinc/61/61/81/510616181.db2.gz XXGBADBNNSUQPF-AWEZNQCLSA-N 1 0 357.410 2.879 20 5 FFBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2C)[C@@H](C)C1 ZINC000246739307 510645126 /nfs/dbraw/zinc/64/51/26/510645126.db2.gz IITJRRMKTWHOEW-YJBOKZPZSA-N 1 0 363.458 2.770 20 5 FFBDRO CC[C@@H]1CN(C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)CC[N@@H+]1CCOC ZINC000191408629 510645983 /nfs/dbraw/zinc/64/59/83/510645983.db2.gz HBUNQCVKMYMXBE-OAHLLOKOSA-N 1 0 364.446 2.786 20 5 FFBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000246743279 510647681 /nfs/dbraw/zinc/64/76/81/510647681.db2.gz HAJOZZWQRQTNLP-WMLDXEAASA-N 1 0 358.442 2.725 20 5 FFBDRO Cn1cccc1[C@H]1CCCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181939558 510670889 /nfs/dbraw/zinc/67/08/89/510670889.db2.gz ZMNKOMKOODNARP-DOTOQJQBSA-N 1 0 359.426 2.900 20 5 FFBDRO C[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1cccc(F)c1F ZINC000181976566 510687885 /nfs/dbraw/zinc/68/78/85/510687885.db2.gz VXCOLQSKLAWEMV-WCQYABFASA-N 1 0 352.337 2.964 20 5 FFBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)C(=O)NC(=O)NC(C)(C)C)cc1[N+](=O)[O-] ZINC000178686899 510721199 /nfs/dbraw/zinc/72/11/99/510721199.db2.gz BERPJQXBNJEGOP-NWDGAFQWSA-N 1 0 350.419 2.567 20 5 FFBDRO O=[N+]([O-])c1cc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c2c(c1)COCO2 ZINC000246909323 510739340 /nfs/dbraw/zinc/73/93/40/510739340.db2.gz RWUUKLLOYOKVMT-LIRRHRJNSA-N 1 0 373.453 2.910 20 5 FFBDRO O=C(CC[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000185194492 510741256 /nfs/dbraw/zinc/74/12/56/510741256.db2.gz RVNSPJURMKDTEG-GFCCVEGCSA-N 1 0 361.377 2.665 20 5 FFBDRO CCn1cc([N+](=O)[O-])c(C(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000191615473 510751680 /nfs/dbraw/zinc/75/16/80/510751680.db2.gz GWBGACLDCBQGSY-UHFFFAOYSA-N 1 0 371.441 2.548 20 5 FFBDRO O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000182093118 510754014 /nfs/dbraw/zinc/75/40/14/510754014.db2.gz YVGAJNLPLWJVLB-GFCCVEGCSA-N 1 0 369.368 2.754 20 5 FFBDRO CC(C)(C)OC(=O)NC[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000185232481 510760329 /nfs/dbraw/zinc/76/03/29/510760329.db2.gz FQVMSKJOSXMPTE-JKSUJKDBSA-N 1 0 365.430 2.521 20 5 FFBDRO Cc1nn(CCC(=O)Nc2cc(C)cc(C[NH+](C)C)c2)c(C)c1[N+](=O)[O-] ZINC000270357453 510776018 /nfs/dbraw/zinc/77/60/18/510776018.db2.gz FPPWDNXJGARBDK-UHFFFAOYSA-N 1 0 359.430 2.807 20 5 FFBDRO COc1cc(OCC(=O)Nc2cc(C)cc(C[NH+](C)C)c2)ccc1[N+](=O)[O-] ZINC000270361510 510777865 /nfs/dbraw/zinc/77/78/65/510777865.db2.gz GWDGXHUMJOZUIX-UHFFFAOYSA-N 1 0 373.409 2.991 20 5 FFBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000172584033 510805621 /nfs/dbraw/zinc/80/56/21/510805621.db2.gz JQHRUCIKXWEMFA-OAHLLOKOSA-N 1 0 360.458 2.872 20 5 FFBDRO Cc1ccccc1OCC[N@@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182190835 510805898 /nfs/dbraw/zinc/80/58/98/510805898.db2.gz XSQHAFXZJKPYRE-INIZCTEOSA-N 1 0 360.410 2.654 20 5 FFBDRO Cc1nn(CCC(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)c(C)c1[N+](=O)[O-] ZINC000263766090 510833232 /nfs/dbraw/zinc/83/32/32/510833232.db2.gz DLOVOLHSQHUWEM-KRWDZBQOSA-N 1 0 373.457 2.526 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)[C@@H](C)C1 ZINC000247259803 510854508 /nfs/dbraw/zinc/85/45/08/510854508.db2.gz DYWIUZWJTYFHGC-KBXCAEBGSA-N 1 0 371.441 2.583 20 5 FFBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)c3ccc(Br)cc3[N+](=O)[O-])C2)C1 ZINC000293966423 510913093 /nfs/dbraw/zinc/91/30/93/510913093.db2.gz UHHMQUNUXCZENM-HNNXBMFYSA-N 1 0 368.231 2.525 20 5 FFBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000270596266 510918818 /nfs/dbraw/zinc/91/88/18/510918818.db2.gz YZTHLRWCMJDWGO-KRWDZBQOSA-N 1 0 360.458 2.797 20 5 FFBDRO O=C(NCc1ccc2c[nH+]cn2c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000297379727 510923984 /nfs/dbraw/zinc/92/39/84/510923984.db2.gz WHKKNYZYEXVYPW-UHFFFAOYSA-N 1 0 365.393 2.773 20 5 FFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000360775429 510946285 /nfs/dbraw/zinc/94/62/85/510946285.db2.gz GNSDTJYWFUZJJO-QGZVFWFLSA-N 1 0 368.437 2.940 20 5 FFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](O)c1cnn(C)c1 ZINC000271073578 511075768 /nfs/dbraw/zinc/07/57/68/511075768.db2.gz FTWFWWVZGQDQNY-DZGCQCFKSA-N 1 0 350.444 2.522 20 5 FFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCCN1CCC(O)CC1 ZINC000271117668 511089183 /nfs/dbraw/zinc/08/91/83/511089183.db2.gz ITUWPOOKJOJXKY-OAHLLOKOSA-N 1 0 367.515 2.902 20 5 FFBDRO CC[NH+]1CCC(NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000279697449 511181694 /nfs/dbraw/zinc/18/16/94/511181694.db2.gz IXCVQJDLHZCTGD-UHFFFAOYSA-N 1 0 374.363 2.897 20 5 FFBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000291530157 511233589 /nfs/dbraw/zinc/23/35/89/511233589.db2.gz KNXYRHCVOPSRQW-GFCCVEGCSA-N 1 0 360.414 2.699 20 5 FFBDRO C[NH+](C)Cc1cccc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)c1 ZINC000298367653 511259661 /nfs/dbraw/zinc/25/96/61/511259661.db2.gz YWKIUHLOWOJUQH-UHFFFAOYSA-N 1 0 357.366 2.680 20 5 FFBDRO COc1ccc([C@@H](C)[NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)cc1 ZINC000271650608 511275282 /nfs/dbraw/zinc/27/52/82/511275282.db2.gz IZJJPGHVWLJWDC-CYBMUJFWSA-N 1 0 355.394 2.843 20 5 FFBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000295088314 511277531 /nfs/dbraw/zinc/27/75/31/511277531.db2.gz JDZYRORQHMZNSO-OAHLLOKOSA-N 1 0 361.442 2.652 20 5 FFBDRO C[C@H]1Cc2ncn(CCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)c2C[C@@H]1C ZINC000295107263 511283728 /nfs/dbraw/zinc/28/37/28/511283728.db2.gz HDKWOHNPEXESJW-STQMWFEESA-N 1 0 363.439 2.636 20 5 FFBDRO C[C@@H](NC(=O)[C@@H]1CN(Cc2ccccc2)CCO1)c1ccccc1[N+](=O)[O-] ZINC000271690632 511289107 /nfs/dbraw/zinc/28/91/07/511289107.db2.gz ISCCKZIVGDPSSW-BEFAXECRSA-N 1 0 369.421 2.673 20 5 FFBDRO O=C(c1cc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000363021316 511301388 /nfs/dbraw/zinc/30/13/88/511301388.db2.gz KZZOMSODTICKCX-CVEARBPZSA-N 1 0 358.442 2.870 20 5 FFBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000363026746 511306348 /nfs/dbraw/zinc/30/63/48/511306348.db2.gz MPRFWZOOZVMRJA-LSDHHAIUSA-N 1 0 358.442 2.552 20 5 FFBDRO O=C(CC[NH+]1CCC(c2ccncn2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000298524480 511315205 /nfs/dbraw/zinc/31/52/05/511315205.db2.gz VYNJKSAASHPPTB-UHFFFAOYSA-N 1 0 355.398 2.593 20 5 FFBDRO CCC[C@@]1(CO)CCC[N@@H+]1CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000298545220 511322870 /nfs/dbraw/zinc/32/28/70/511322870.db2.gz NMQUOGIMKYJOAZ-SFHVURJKSA-N 1 0 365.430 2.559 20 5 FFBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000295278616 511346369 /nfs/dbraw/zinc/34/63/69/511346369.db2.gz IIMVVQJILXNPBF-CZUORRHYSA-N 1 0 369.425 2.684 20 5 FFBDRO C[C@@H]([NH2+][C@H]1CCN(c2ccccc2C(N)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000363175184 511397912 /nfs/dbraw/zinc/39/79/12/511397912.db2.gz PAXYNDMRKQQFJV-HIFRSBDPSA-N 1 0 354.410 2.623 20 5 FFBDRO CC(=O)c1cc(N2CCN(Cc3c(C)noc3C)CC2)ccc1[N+](=O)[O-] ZINC000283552650 511412385 /nfs/dbraw/zinc/41/23/85/511412385.db2.gz MRUPZUYUQLSRFZ-UHFFFAOYSA-N 1 0 358.398 2.724 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000298827802 511422944 /nfs/dbraw/zinc/42/29/44/511422944.db2.gz TZBHUDHJVULBEZ-UHFFFAOYSA-N 1 0 367.471 2.542 20 5 FFBDRO Cc1n[nH]c(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c1[N+](=O)[O-] ZINC000283694334 511463894 /nfs/dbraw/zinc/46/38/94/511463894.db2.gz XJXRRODGHYKCPF-HNNXBMFYSA-N 1 0 371.441 2.657 20 5 FFBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292245557 511520555 /nfs/dbraw/zinc/52/05/55/511520555.db2.gz XFSUQIDGMPBMKH-SJCJKPOMSA-N 1 0 366.849 2.603 20 5 FFBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000295845531 511533328 /nfs/dbraw/zinc/53/33/28/511533328.db2.gz WUEMOPJBRWJASL-PBHICJAKSA-N 1 0 359.426 2.643 20 5 FFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000292300155 511543098 /nfs/dbraw/zinc/54/30/98/511543098.db2.gz MRZLQBOALJXTLI-LSDHHAIUSA-N 1 0 360.458 2.728 20 5 FFBDRO Cc1ccc(C(=O)N2CCC[C@@H]2CN2C[C@@H](C)O[C@H](C)C2)cc1[N+](=O)[O-] ZINC000299195013 511547477 /nfs/dbraw/zinc/54/74/77/511547477.db2.gz MLHMHMCTCVKFCJ-BFYDXBDKSA-N 1 0 361.442 2.617 20 5 FFBDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3)C2)C1 ZINC000292331834 511555918 /nfs/dbraw/zinc/55/59/18/511555918.db2.gz UGKIFSNCZPRHTA-OAHLLOKOSA-N 1 0 368.231 2.525 20 5 FFBDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3cc(-c4ccc([N+](=O)[O-])cc4)n[nH]3)C2)C1 ZINC000296005608 511586069 /nfs/dbraw/zinc/58/60/69/511586069.db2.gz VXWIJLZTJWJEJA-LJQANCHMSA-N 1 0 369.425 2.543 20 5 FFBDRO COc1ccncc1CNC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000292596028 511655589 /nfs/dbraw/zinc/65/55/89/511655589.db2.gz GWYZNQGWRZYBAC-UHFFFAOYSA-N 1 0 358.398 2.821 20 5 FFBDRO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCN1C(=O)c2ccccc2C1=O ZINC000299691248 511667501 /nfs/dbraw/zinc/66/75/01/511667501.db2.gz ASFVNRFSKGLDTH-VURMDHGXSA-N 1 0 365.389 2.836 20 5 FFBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)C[C@H]21 ZINC000363682862 511702469 /nfs/dbraw/zinc/70/24/69/511702469.db2.gz XTOSKZHBBXKXTJ-BPLDGKMQSA-N 1 0 372.450 2.918 20 5 FFBDRO CC[C@@H]([NH2+][C@@H]1CCC(=O)N(C)[C@H]1c1ccnn1C)c1cccc([N+](=O)[O-])c1 ZINC000284720679 511838829 /nfs/dbraw/zinc/83/88/29/511838829.db2.gz CLUOVCCBJVHQJL-GPMSIDNRSA-N 1 0 371.441 2.731 20 5 FFBDRO Cn1cc(C[N@@H+]2CCOCC3(CCC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000363916217 511847915 /nfs/dbraw/zinc/84/79/15/511847915.db2.gz DSOXLOLYGSULJV-UHFFFAOYSA-N 1 0 356.426 2.998 20 5 FFBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000296780054 511894074 /nfs/dbraw/zinc/89/40/74/511894074.db2.gz NILQTTBHAZIGJH-CQSZACIVSA-N 1 0 361.442 2.746 20 5 FFBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000363999554 511897375 /nfs/dbraw/zinc/89/73/75/511897375.db2.gz ZGXKSRKCXJMQOT-LBPRGKRZSA-N 1 0 355.797 2.627 20 5 FFBDRO CC(=O)c1cccc(OC[C@H](O)C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000296863829 511928147 /nfs/dbraw/zinc/92/81/47/511928147.db2.gz ZAKBECJTEIMWJT-SCLBCKFNSA-N 1 0 358.394 2.888 20 5 FFBDRO NC(=O)c1ccc(C[N@@H+]2CCCC[C@H]2[C@H](O)c2ccccc2)c([N+](=O)[O-])c1 ZINC000364053270 511932244 /nfs/dbraw/zinc/93/22/44/511932244.db2.gz GRIDTLDJXYXCTE-PKOBYXMFSA-N 1 0 369.421 2.782 20 5 FFBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293353968 511935138 /nfs/dbraw/zinc/93/51/38/511935138.db2.gz KXMZRIYPIUGQTA-OTYXRUKQSA-N 1 0 357.332 2.826 20 5 FFBDRO C[C@@H]([NH2+]CCCS(=O)(=O)c1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293620828 512029628 /nfs/dbraw/zinc/02/96/28/512029628.db2.gz HBSIOTWBZZXUDC-CYBMUJFWSA-N 1 0 363.439 2.692 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC000275078754 512034964 /nfs/dbraw/zinc/03/49/64/512034964.db2.gz CNZMLXQCIXFIEK-RYUDHWBXSA-N 1 0 359.348 2.965 20 5 FFBDRO COc1ccc([C@H]2CCN(C(=O)c3ccccc3[N+](=O)[O-])C[C@H]2[NH3+])cc1F ZINC000297186230 512052695 /nfs/dbraw/zinc/05/26/95/512052695.db2.gz LLGKGCAZJNWPMJ-CZUORRHYSA-N 1 0 373.384 2.700 20 5 FFBDRO CS[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C[C@H]1[NH+]1CCCC1 ZINC000275140703 512053969 /nfs/dbraw/zinc/05/39/69/512053969.db2.gz PYEZSKKXAPKDTC-CABCVRRESA-N 1 0 369.874 2.900 20 5 FFBDRO CCOC(=O)C1(COC)CC[NH+](Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000373840558 512531898 /nfs/dbraw/zinc/53/18/98/512531898.db2.gz DRVRJDWYMHZILZ-UHFFFAOYSA-N 1 0 350.415 2.695 20 5 FFBDRO COc1ccc(NC(=O)CC[N@@H+](C[C@H](C)OC)C(C)C)c([N+](=O)[O-])c1 ZINC000411285348 512562524 /nfs/dbraw/zinc/56/25/24/512562524.db2.gz RFCZYYUCNBOVEI-ZDUSSCGKSA-N 1 0 353.419 2.677 20 5 FFBDRO COc1cc(C[NH+]2CCC([C@@H]3CCOC3)CC2)c([N+](=O)[O-])cc1OC ZINC000371804391 512580988 /nfs/dbraw/zinc/58/09/88/512580988.db2.gz XBFIZCJGQJYVDO-CQSZACIVSA-N 1 0 350.415 2.861 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c1 ZINC000373942516 512584366 /nfs/dbraw/zinc/58/43/66/512584366.db2.gz HBGFQVZRSKPCQY-HZPDHXFCSA-N 1 0 361.442 2.615 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000376043362 512632194 /nfs/dbraw/zinc/63/21/94/512632194.db2.gz HKDSRPCOMNVDBV-UHFFFAOYSA-N 1 0 372.429 2.741 20 5 FFBDRO CC(C)[C@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000411520845 512672484 /nfs/dbraw/zinc/67/24/84/512672484.db2.gz RMODXCZQKOTYCT-INIZCTEOSA-N 1 0 365.430 2.879 20 5 FFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000367940251 512733564 /nfs/dbraw/zinc/73/35/64/512733564.db2.gz DIJHCVIGBNZUGT-QZTJIDSGSA-N 1 0 357.385 2.538 20 5 FFBDRO CCCN(CC[NH+]1CCCC1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000411717506 512777281 /nfs/dbraw/zinc/77/72/81/512777281.db2.gz IPXFOMIFUILCML-SFHVURJKSA-N 1 0 360.458 2.508 20 5 FFBDRO CN1CC[C@@H]([NH2+]CCn2ccc([N+](=O)[O-])n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000368059918 512785001 /nfs/dbraw/zinc/78/50/01/512785001.db2.gz YYKMZHADEITNNA-ZBFHGGJFSA-N 1 0 367.812 2.619 20 5 FFBDRO CC(C)([NH2+]CCC(=O)Nc1ccc(C(N)=O)cc1)c1ccccc1[N+](=O)[O-] ZINC000411760596 512797276 /nfs/dbraw/zinc/79/72/76/512797276.db2.gz SNBFYRURXVRAPA-UHFFFAOYSA-N 1 0 370.409 2.547 20 5 FFBDRO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)c1ncc([N+](=O)[O-])s1 ZINC000374494241 512859097 /nfs/dbraw/zinc/85/90/97/512859097.db2.gz CFMGEROERRUTHM-UHFFFAOYSA-N 1 0 367.519 2.684 20 5 FFBDRO CNc1ccc(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000379933350 512871412 /nfs/dbraw/zinc/87/14/12/512871412.db2.gz ADKQIWUKUYHLPS-MRXNPFEDSA-N 1 0 368.437 2.888 20 5 FFBDRO CCc1nn(C)c(N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)c1[N+](=O)[O-] ZINC000381013583 512874715 /nfs/dbraw/zinc/87/47/15/512874715.db2.gz PYPMNWCQMZQPGN-IRXDYDNUSA-N 1 0 369.469 2.849 20 5 FFBDRO O=C(CC[N@@H+]1C[C@H](O)C[C@@H]1c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000411920917 512875104 /nfs/dbraw/zinc/87/51/04/512875104.db2.gz CUAIMRAAEPBEFY-CRAIPNDOSA-N 1 0 355.394 2.731 20 5 FFBDRO O=C(CC[N@@H+]1C[C@H](O)C[C@H]1c1ccccc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411932527 512879501 /nfs/dbraw/zinc/87/95/01/512879501.db2.gz GAEJBUROQPVAKG-MSOLQXFVSA-N 1 0 355.394 2.731 20 5 FFBDRO C[N@H+](CCNc1c(Br)cncc1[N+](=O)[O-])Cc1ccccc1 ZINC000386691944 512890455 /nfs/dbraw/zinc/89/04/55/512890455.db2.gz KPJMOTOECOCBCG-UHFFFAOYSA-N 1 0 365.231 2.718 20 5 FFBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H](C)[C@@](C)(OC)C2CC2)c([N+](=O)[O-])c1 ZINC000411973075 512896791 /nfs/dbraw/zinc/89/67/91/512896791.db2.gz RBDDDPYTEZGPGE-KPZWWZAWSA-N 1 0 365.430 2.725 20 5 FFBDRO CNc1c(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000389892135 512903768 /nfs/dbraw/zinc/90/37/68/512903768.db2.gz WOLVNSRVWOVZMD-WMLDXEAASA-N 1 0 368.437 2.887 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC([C@H]2CCOC2)CC1 ZINC000374628832 512925585 /nfs/dbraw/zinc/92/55/85/512925585.db2.gz ZYIUWASUJNIBRK-INIZCTEOSA-N 1 0 361.442 2.980 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3C[C@@H]4CC[C@@H](O)C[C@H]4C3)o2)c1 ZINC000412051299 512933041 /nfs/dbraw/zinc/93/30/41/512933041.db2.gz WGYXRCQMSXUIHN-YQQAZPJKSA-N 1 0 357.410 2.885 20 5 FFBDRO COc1cc(C[N@@H+]2CCC[C@@H](CO)[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000412074663 512945272 /nfs/dbraw/zinc/94/52/72/512945272.db2.gz IOZDLDAEMQODJV-RYUDHWBXSA-N 1 0 374.384 2.840 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(CC(=O)NC2CCC(C[NH+](C)C)CC2)c1F ZINC000412207718 512996972 /nfs/dbraw/zinc/99/69/72/512996972.db2.gz VOZZYRZKFNJVNC-UHFFFAOYSA-N 1 0 367.421 2.522 20 5 FFBDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000370582884 513003584 /nfs/dbraw/zinc/00/35/84/513003584.db2.gz LAIPKZQVADUZIC-KRWDZBQOSA-N 1 0 368.437 2.974 20 5 FFBDRO Cc1c(CNC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)cccc1[N+](=O)[O-] ZINC000412294416 513027634 /nfs/dbraw/zinc/02/76/34/513027634.db2.gz VLFPUUQYOBMRNG-INIZCTEOSA-N 1 0 363.483 2.737 20 5 FFBDRO CN(c1nc2ccccc2cc1[N+](=O)[O-])[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000372754512 513029280 /nfs/dbraw/zinc/02/92/80/513029280.db2.gz YLYJYOKYCRTFNI-KRWDZBQOSA-N 1 0 369.469 2.748 20 5 FFBDRO CN(c1nc2ccccc2cc1[N+](=O)[O-])[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000372754513 513029537 /nfs/dbraw/zinc/02/95/37/513029537.db2.gz YLYJYOKYCRTFNI-QGZVFWFLSA-N 1 0 369.469 2.748 20 5 FFBDRO C[N@@H+]1CCCC12CCN(Cc1nnc(-c3ccc([N+](=O)[O-])cc3)o1)CC2 ZINC000370653496 513035602 /nfs/dbraw/zinc/03/56/02/513035602.db2.gz YJLIMUOSBNNYFS-UHFFFAOYSA-N 1 0 357.414 2.705 20 5 FFBDRO CCOc1cc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2cnn(C)c2)ccc1[N+](=O)[O-] ZINC000372810109 513053553 /nfs/dbraw/zinc/05/35/53/513053553.db2.gz NIZGUZCUQBUEIL-FUHWJXTLSA-N 1 0 374.441 2.815 20 5 FFBDRO Cc1noc(C)c1CO[C@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000368855093 513122379 /nfs/dbraw/zinc/12/23/79/513122379.db2.gz QRZRPMQWCGVATG-HNNXBMFYSA-N 1 0 361.398 2.870 20 5 FFBDRO C[NH+](C)CCOc1cc(NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])ccn1 ZINC000450297274 513128622 /nfs/dbraw/zinc/12/86/22/513128622.db2.gz IAYSKBCLFICHNP-UHFFFAOYSA-N 1 0 372.425 2.847 20 5 FFBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000417726619 513182009 /nfs/dbraw/zinc/18/20/09/513182009.db2.gz MTBKROYHENYGCQ-MSOLQXFVSA-N 1 0 374.485 2.949 20 5 FFBDRO C[C@@H]1CN(c2nccc3cc([N+](=O)[O-])ccc32)CC[N@@H+]1C1CCN(C)CC1 ZINC000450423265 513188204 /nfs/dbraw/zinc/18/82/04/513188204.db2.gz WZPMYUZVYPRDRF-OAHLLOKOSA-N 1 0 369.469 2.748 20 5 FFBDRO O=[N+]([O-])c1cc(Br)ccc1NC[C@H]1CCC[N@H+]1CCCO ZINC000450598539 513266897 /nfs/dbraw/zinc/26/68/97/513266897.db2.gz RBSHVTVFDUFXDQ-GFCCVEGCSA-N 1 0 358.236 2.616 20 5 FFBDRO Cc1c(NC(=O)[C@H](C)N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000429041008 513266929 /nfs/dbraw/zinc/26/69/29/513266929.db2.gz NTDWPAFPWWLPCP-PGSNGQOISA-N 1 0 374.485 2.892 20 5 FFBDRO COC1CC[NH+](C(C)(C)CNC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000446483848 513269832 /nfs/dbraw/zinc/26/98/32/513269832.db2.gz FHIWKYGCJKBABX-UHFFFAOYSA-N 1 0 364.446 2.914 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N3CC[C@@H]([NH3+])[C@H](C)C3)cc2[N+](=O)[O-])C1 ZINC000429151759 513291916 /nfs/dbraw/zinc/29/19/16/513291916.db2.gz UDIUNHCPDWCYEL-IIAWOOMASA-N 1 0 360.458 2.640 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N[C@@](C)(C[NH3+])C3CC3)cc2[N+](=O)[O-])C1 ZINC000429221614 513308147 /nfs/dbraw/zinc/30/81/47/513308147.db2.gz KSGUAQIXZDHZIX-YJYMSZOUSA-N 1 0 360.458 2.688 20 5 FFBDRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000417980291 513314563 /nfs/dbraw/zinc/31/45/63/513314563.db2.gz BDLMBOJMJDEOQV-OCCSQVGLSA-N 1 0 354.838 2.607 20 5 FFBDRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000417980290 513314808 /nfs/dbraw/zinc/31/48/08/513314808.db2.gz BDLMBOJMJDEOQV-JSGCOSHPSA-N 1 0 354.838 2.607 20 5 FFBDRO CC(C)C[C@H](C[NH3+])NC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000429341346 513346253 /nfs/dbraw/zinc/34/62/53/513346253.db2.gz ZUFAZECKCUGJEM-GOEBONIOSA-N 1 0 362.474 2.934 20 5 FFBDRO COC(=O)[C@H]1CC[N@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])[C@H]1C(C)C ZINC000429360515 513351111 /nfs/dbraw/zinc/35/11/11/513351111.db2.gz HWGXGJRKPYDVGQ-LRDDRELGSA-N 1 0 354.378 2.762 20 5 FFBDRO Cc1c(NC(=O)N2CC[C@H]([NH3+])[C@@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC000415665291 513368352 /nfs/dbraw/zinc/36/83/52/513368352.db2.gz UXZQCKGBRSVSHM-WPRPVWTQSA-N 1 0 357.208 2.619 20 5 FFBDRO Cc1c(NC(=O)N[C@H]2CCC[NH2+]C2)cc(Br)cc1[N+](=O)[O-] ZINC000415666344 513370040 /nfs/dbraw/zinc/37/00/40/513370040.db2.gz WQFDQPWJHIZDQW-JTQLQIEISA-N 1 0 357.208 2.539 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000450866129 513374309 /nfs/dbraw/zinc/37/43/09/513374309.db2.gz SXCOYTBRKHTASU-OLMNPRSZSA-N 1 0 359.426 2.779 20 5 FFBDRO O=[N+]([O-])c1cnc2ccc(NCC[NH+]3CCC4(CCCCC4)CC3)nn21 ZINC000440676334 513378866 /nfs/dbraw/zinc/37/88/66/513378866.db2.gz RHYKVFUTDACFCZ-UHFFFAOYSA-N 1 0 358.446 2.518 20 5 FFBDRO CC[NH+]1CCN(Cc2ccccc2CNc2ncc([N+](=O)[O-])cc2F)CC1 ZINC000413054012 513411145 /nfs/dbraw/zinc/41/11/45/513411145.db2.gz MAEVEJDHSQMXIA-UHFFFAOYSA-N 1 0 373.432 2.879 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@]1(CO)CCCc2ccccc21 ZINC000440824131 513416779 /nfs/dbraw/zinc/41/67/79/513416779.db2.gz SZKDZPSJECHRRC-HXUWFJFHSA-N 1 0 369.421 2.655 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N3CC[C@H]4CC[C@@H](C3)[NH2+]4)cc2[N+](=O)[O-])C1 ZINC000429636700 513428199 /nfs/dbraw/zinc/42/81/99/513428199.db2.gz PUERFPUBXQJEIU-OIISXLGYSA-N 1 0 372.469 2.798 20 5 FFBDRO C[C@H](NC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC000418232533 513433606 /nfs/dbraw/zinc/43/36/06/513433606.db2.gz MWASENYUZXHTPF-DOPJRALCSA-N 1 0 354.410 2.792 20 5 FFBDRO CC(C)(CO)[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000429725982 513453447 /nfs/dbraw/zinc/45/34/47/513453447.db2.gz ZQUOKHNSQMIZIS-VQIMIIECSA-N 1 0 374.437 2.684 20 5 FFBDRO O=[N+]([O-])c1cnc(NCc2ccc(C[NH+]3CCC(O)CC3)cc2)c(F)c1 ZINC000413120739 513460491 /nfs/dbraw/zinc/46/04/91/513460491.db2.gz DASJXGRFTMDHAP-UHFFFAOYSA-N 1 0 360.389 2.698 20 5 FFBDRO C[C@@H](c1ccncc1)[NH+]1CCC(Nc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000425242195 513470324 /nfs/dbraw/zinc/47/03/24/513470324.db2.gz RLDUYKHPONCMKW-ZDUSSCGKSA-N 1 0 369.425 2.726 20 5 FFBDRO O=[N+]([O-])c1cnc(N2CC[NH+](CC3CCOCC3)CC2)c(C(F)(F)F)c1 ZINC000413156092 513487954 /nfs/dbraw/zinc/48/79/54/513487954.db2.gz NLETVLKTOAUJSZ-UHFFFAOYSA-N 1 0 374.363 2.557 20 5 FFBDRO O=C1C[C@H]([NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CN1c1ccccc1 ZINC000447560472 513508934 /nfs/dbraw/zinc/50/89/34/513508934.db2.gz CZORXYCUEVFRTN-USXIJHARSA-N 1 0 369.425 2.670 20 5 FFBDRO CCNC(=O)c1ccc(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000447564777 513509948 /nfs/dbraw/zinc/50/99/48/513509948.db2.gz ZCNPQEKJSDOETJ-IRXDYDNUSA-N 1 0 371.441 2.815 20 5 FFBDRO CC[NH+]1CCC(N2CCCN(C(=O)c3cccc(C)c3[N+](=O)[O-])CC2)CC1 ZINC000422003771 513514636 /nfs/dbraw/zinc/51/46/36/513514636.db2.gz DWYAAHVMRXCEGM-UHFFFAOYSA-N 1 0 374.485 2.535 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N(C3CC3)[C@@H]3CC[NH2+]C3)cc2[N+](=O)[O-])C1 ZINC000435237410 513539583 /nfs/dbraw/zinc/53/95/83/513539583.db2.gz XTFPNUKVWBERBP-RHSMWYFYSA-N 1 0 372.469 2.798 20 5 FFBDRO COc1cc(CN2CC[C@H](C[NH3+])C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000435377934 513568889 /nfs/dbraw/zinc/56/88/89/513568889.db2.gz BHOKRPJHBDQHGT-QGZVFWFLSA-N 1 0 371.437 2.963 20 5 FFBDRO O=C1CC[C@@H]([NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])C2(CCC2)N1 ZINC000425449551 513571755 /nfs/dbraw/zinc/57/17/55/513571755.db2.gz XDLMYPYXYYOLBH-CYBMUJFWSA-N 1 0 368.231 2.648 20 5 FFBDRO COc1cc(CN2CCC[NH2+]CC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000435391211 513573412 /nfs/dbraw/zinc/57/34/12/513573412.db2.gz VUHMNQRHFHQAAB-UHFFFAOYSA-N 1 0 371.437 2.978 20 5 FFBDRO C[NH+](C)[C@@H](CC(=O)NCCNc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000416128967 513584454 /nfs/dbraw/zinc/58/44/54/513584454.db2.gz VNYPYRJCXMNYKX-SFHVURJKSA-N 1 0 356.426 2.816 20 5 FFBDRO Cc1ccc(Sc2ccc(C[NH2+][C@@H]3COC[C@H]3O)cc2[N+](=O)[O-])cc1 ZINC000451228962 513609341 /nfs/dbraw/zinc/60/93/41/513609341.db2.gz JQLWHZGTENEYBQ-NVXWUHKLSA-N 1 0 360.435 2.904 20 5 FFBDRO CN(C(=O)[C@@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1)c1ccccc1 ZINC000430306802 513617223 /nfs/dbraw/zinc/61/72/23/513617223.db2.gz XMYRTXPQBCCRGB-MRXNPFEDSA-N 1 0 369.421 2.959 20 5 FFBDRO CN(C(=O)[C@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1)c1ccccc1 ZINC000430334029 513625928 /nfs/dbraw/zinc/62/59/28/513625928.db2.gz TYAOSXBXIMSFJL-INIZCTEOSA-N 1 0 369.421 2.959 20 5 FFBDRO COc1cc(C(=O)Nc2cc(C)nn2C2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000430493256 513667874 /nfs/dbraw/zinc/66/78/74/513667874.db2.gz OIDWUKVAHVEWAD-UHFFFAOYSA-N 1 0 373.413 2.627 20 5 FFBDRO CN(C(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000451347706 513693966 /nfs/dbraw/zinc/69/39/66/513693966.db2.gz UPPXXMMJHIFWJK-KURKYZTESA-N 1 0 361.442 2.573 20 5 FFBDRO COc1cc(CN2CCC[C@@H](C)[C@@H]2C[NH3+])c([N+](=O)[O-])cc1OC(F)F ZINC000430585479 513696562 /nfs/dbraw/zinc/69/65/62/513696562.db2.gz WVWUNGSRQPQLTA-MFKMUULPSA-N 1 0 359.373 2.764 20 5 FFBDRO O=C(NC1CC([NH+]2CCCCC2)C1)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000451355609 513697208 /nfs/dbraw/zinc/69/72/08/513697208.db2.gz BSZBMZHSCZQQBB-UHFFFAOYSA-N 1 0 369.425 2.527 20 5 FFBDRO COc1cc(CN2CCCC[C@@H]2[C@H](C)[NH3+])c([N+](=O)[O-])cc1OC(F)F ZINC000430636414 513708501 /nfs/dbraw/zinc/70/85/01/513708501.db2.gz YOPPWLCDQCRABN-CMPLNLGQSA-N 1 0 359.373 2.907 20 5 FFBDRO COc1cc(NC(=O)c2cccc([N+](=O)[O-])c2)ccc1OCC[NH+](C)C ZINC000416345139 513724094 /nfs/dbraw/zinc/72/40/94/513724094.db2.gz WVWJGOKNOIWADP-UHFFFAOYSA-N 1 0 359.382 2.796 20 5 FFBDRO Cn1cc([C@H]2C[N@H+](Cc3c(F)cccc3[N+](=O)[O-])CC23CCOCC3)cn1 ZINC000451404622 513725950 /nfs/dbraw/zinc/72/59/50/513725950.db2.gz BDGJZQNYUWFTTK-MRXNPFEDSA-N 1 0 374.416 2.864 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)cc1SC ZINC000430706254 513728364 /nfs/dbraw/zinc/72/83/64/513728364.db2.gz CUZLDZXCXPUSOB-HNNXBMFYSA-N 1 0 367.471 2.833 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000430712663 513730755 /nfs/dbraw/zinc/73/07/55/513730755.db2.gz HSDWMSYEQZYMTE-XHDPSFHLSA-N 1 0 369.849 2.910 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000430712662 513731140 /nfs/dbraw/zinc/73/11/40/513731140.db2.gz HSDWMSYEQZYMTE-NHYWBVRUSA-N 1 0 369.849 2.910 20 5 FFBDRO CC1(C)[C@H]([NH2+]CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]2CCCO[C@@H]21 ZINC000451478245 513775481 /nfs/dbraw/zinc/77/54/81/513775481.db2.gz JROZBAWRSFZSDS-XZJROXQQSA-N 1 0 367.833 2.980 20 5 FFBDRO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C12CCC2 ZINC000451484535 513780150 /nfs/dbraw/zinc/78/01/50/513780150.db2.gz XGEWXSBTHRUPAP-IXDOHACOSA-N 1 0 359.426 2.637 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CC[NH2+]Cc2ccccc21 ZINC000430919480 513781311 /nfs/dbraw/zinc/78/13/11/513781311.db2.gz QQFWJWWEIXTIGD-ZDUSSCGKSA-N 1 0 370.409 2.540 20 5 FFBDRO COc1ccc(NC(=O)C[NH2+][C@H]2C[C@@H](OC(C)C)C2(C)C)c([N+](=O)[O-])c1 ZINC000451499176 513789518 /nfs/dbraw/zinc/78/95/18/513789518.db2.gz MMHVUUCCXXOWRD-JKSUJKDBSA-N 1 0 365.430 2.724 20 5 FFBDRO CC[C@]1(O)CC[N@H+](Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C1 ZINC000425913689 513797698 /nfs/dbraw/zinc/79/76/98/513797698.db2.gz HCNLGULAFQXMRE-INIZCTEOSA-N 1 0 360.357 2.594 20 5 FFBDRO CC(C)c1n[nH]c(C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)c1[N+](=O)[O-] ZINC000436234368 513804177 /nfs/dbraw/zinc/80/41/77/513804177.db2.gz XBRJUDPMPWQGPP-AWEZNQCLSA-N 1 0 363.462 2.968 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]([C@H](CO)C1CC1)C1CC1 ZINC000451612933 513866211 /nfs/dbraw/zinc/86/62/11/513866211.db2.gz QLTXHCQERMFUSS-VQIMIIECSA-N 1 0 361.442 2.619 20 5 FFBDRO [NH3+]C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000422617828 513875313 /nfs/dbraw/zinc/87/53/13/513875313.db2.gz PLRPLYMDEFWLDJ-INIZCTEOSA-N 1 0 366.421 2.725 20 5 FFBDRO Cc1cc(OCC(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000431358294 513880700 /nfs/dbraw/zinc/88/07/00/513880700.db2.gz LWEZNPUPYPIYQG-QGZVFWFLSA-N 1 0 371.437 2.571 20 5 FFBDRO COc1cc(C(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000448767292 513888097 /nfs/dbraw/zinc/88/80/97/513888097.db2.gz KHYWZUFOMPOGTM-KZULUSFZSA-N 1 0 367.421 2.983 20 5 FFBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000448780729 513896342 /nfs/dbraw/zinc/89/63/42/513896342.db2.gz KWJHYYACJWRNQQ-GJZGRUSLSA-N 1 0 361.442 2.794 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1 ZINC000451700292 513921464 /nfs/dbraw/zinc/92/14/64/513921464.db2.gz XFOMSUUMSISDSV-INMHGKMJSA-N 1 0 361.442 2.715 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCCc2ccccc2CC1 ZINC000451709749 513928554 /nfs/dbraw/zinc/92/85/54/513928554.db2.gz LLVSUCOLKHHRIP-GOSISDBHSA-N 1 0 356.422 2.825 20 5 FFBDRO Cc1cc(OCC(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000431832904 514015021 /nfs/dbraw/zinc/01/50/21/514015021.db2.gz MAQKDBCNUDQXLP-IJEWVQPXSA-N 1 0 363.458 2.765 20 5 FFBDRO COc1cc(CNc2[nH+]ccn2C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000414297988 514038235 /nfs/dbraw/zinc/03/82/35/514038235.db2.gz IFLPPZUGMQDVGB-UHFFFAOYSA-N 1 0 360.292 2.890 20 5 FFBDRO CCc1ccccc1[C@@H]([NH3+])CNc1c(Br)cncc1[N+](=O)[O-] ZINC000420284791 514071413 /nfs/dbraw/zinc/07/14/13/514071413.db2.gz VBRGYCGZWXUXEV-ZDUSSCGKSA-N 1 0 365.231 2.849 20 5 FFBDRO Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CC[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000420290494 514074554 /nfs/dbraw/zinc/07/45/54/514074554.db2.gz JHUODUAMBWLIRB-YJBOKZPZSA-N 1 0 354.410 2.616 20 5 FFBDRO CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])ncn1 ZINC000449125363 514082418 /nfs/dbraw/zinc/08/24/18/514082418.db2.gz RWOPJXHIJQSLMM-HOCLYGCPSA-N 1 0 370.457 2.616 20 5 FFBDRO CCCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CC[NH2+]CC1 ZINC000420314040 514088751 /nfs/dbraw/zinc/08/87/51/514088751.db2.gz JRFPEROTHPNIIY-UHFFFAOYSA-N 1 0 354.838 2.651 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@@]3(CCSC3)C2)c1 ZINC000451963700 514098328 /nfs/dbraw/zinc/09/83/28/514098328.db2.gz IURGVNBELQKNLI-NVXWUHKLSA-N 1 0 352.456 2.554 20 5 FFBDRO C[C@H](C[NH2+]CCc1ccccc1[N+](=O)[O-])c1ccc(S(C)(=O)=O)cc1 ZINC000449168389 514100247 /nfs/dbraw/zinc/10/02/47/514100247.db2.gz MIRDKZTWYPWZKF-CQSZACIVSA-N 1 0 362.451 2.934 20 5 FFBDRO COc1c[nH+]ccc1N1CCN(c2ccnc3c2cccc3[N+](=O)[O-])CC1 ZINC000432167513 514114414 /nfs/dbraw/zinc/11/44/14/514114414.db2.gz WXYBHCBILUTJIY-UHFFFAOYSA-N 1 0 365.393 2.873 20 5 FFBDRO O=[N+]([O-])c1cccc2c(N3CCC[C@@H](C[NH+]4CCOCC4)C3)ccnc21 ZINC000432174031 514116068 /nfs/dbraw/zinc/11/60/68/514116068.db2.gz DVGQIKWMKPMKJL-HNNXBMFYSA-N 1 0 356.426 2.692 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@@H]2NCCc3ccccc32)n1 ZINC000423415026 514134900 /nfs/dbraw/zinc/13/49/00/514134900.db2.gz DDFBFZZFPWSOAA-FGTMMUONSA-N 1 0 355.442 2.752 20 5 FFBDRO O=C(CCN1CC[NH2+]C[C@@H]1c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000420412523 514138480 /nfs/dbraw/zinc/13/84/80/514138480.db2.gz SHAOQUBKIGFZFV-GOSISDBHSA-N 1 0 354.410 2.570 20 5 FFBDRO C[C@@H]1CN(C(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C[C@@H]1[NH+](C)C ZINC000444156596 514138467 /nfs/dbraw/zinc/13/84/67/514138467.db2.gz DFUFSVFWDLXSCZ-PXAZEXFGSA-N 1 0 367.424 2.843 20 5 FFBDRO CCC[C@@H]1C[NH2+]CCN1C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000423520634 514158685 /nfs/dbraw/zinc/15/86/85/514158685.db2.gz RSBBDEOJGQEIQL-GFCCVEGCSA-N 1 0 357.863 2.941 20 5 FFBDRO COc1cc(C[NH2+][C@H]2CCC[C@H](CO)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000414578595 514189999 /nfs/dbraw/zinc/18/99/99/514189999.db2.gz PPXQEUSDYVIMTL-AAEUAGOBSA-N 1 0 374.384 2.888 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000427360234 514194319 /nfs/dbraw/zinc/19/43/19/514194319.db2.gz YLFODJVQHIYHCE-KSSFIOAISA-N 1 0 369.421 2.854 20 5 FFBDRO CC1(C)CN(c2c(C(N)=O)cccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000420589825 514195195 /nfs/dbraw/zinc/19/51/95/514195195.db2.gz VFUUQVFFDGVWPC-UHFFFAOYSA-N 1 0 368.437 2.795 20 5 FFBDRO CO[C@@H]1COCC[C@H]1C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000449452475 514215311 /nfs/dbraw/zinc/21/53/11/514215311.db2.gz GAQQBOIWGFJDKB-XJKSGUPXSA-N 1 0 363.439 2.859 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000417185903 514217609 /nfs/dbraw/zinc/21/76/09/514217609.db2.gz SHFGXWSPYCACLA-GFCCVEGCSA-N 1 0 358.398 2.623 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CN2CC[NH2+]CC2)cc1 ZINC000414657238 514225018 /nfs/dbraw/zinc/22/50/18/514225018.db2.gz OBGRBOWZPPCERP-UHFFFAOYSA-N 1 0 363.421 2.853 20 5 FFBDRO C[C@@H]1CN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H](C)[N@H+]1CCO ZINC000449535807 514245151 /nfs/dbraw/zinc/24/51/51/514245151.db2.gz OQPKWEDXTQDSHE-GASCZTMLSA-N 1 0 359.426 2.742 20 5 FFBDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000427617120 514266050 /nfs/dbraw/zinc/26/60/50/514266050.db2.gz CXORUZKFABCJFD-KSSFIOAISA-N 1 0 368.437 2.935 20 5 FFBDRO CCOc1cc(NC(=O)NC2(C)CC[NH2+]CC2)c([N+](=O)[O-])cc1OCC ZINC000414755306 514274876 /nfs/dbraw/zinc/27/48/76/514274876.db2.gz HGJNWGDRWWVWJE-UHFFFAOYSA-N 1 0 366.418 2.656 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000449640398 514276683 /nfs/dbraw/zinc/27/66/83/514276683.db2.gz AYYGAZLVJIPSTN-GMXVVIOVSA-N 1 0 355.822 2.649 20 5 FFBDRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000452340555 514291724 /nfs/dbraw/zinc/29/17/24/514291724.db2.gz CCRSROHUKRVOKR-ZDUSSCGKSA-N 1 0 359.430 2.711 20 5 FFBDRO CCCOc1cc(NC(=O)N(C)CC[NH3+])c([N+](=O)[O-])cc1OCCC ZINC000414786400 514293794 /nfs/dbraw/zinc/29/37/94/514293794.db2.gz MAAZKVJTXOXNKM-UHFFFAOYSA-N 1 0 354.407 2.595 20 5 FFBDRO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000423938082 514296150 /nfs/dbraw/zinc/29/61/50/514296150.db2.gz HMDJLDDBOSZLED-YOEHRIQHSA-N 1 0 358.442 2.773 20 5 FFBDRO CCCOc1cc(NC(=O)N(C)C2C[NH2+]C2)c([N+](=O)[O-])cc1OCCC ZINC000414799588 514299281 /nfs/dbraw/zinc/29/92/81/514299281.db2.gz XZLHPBHPRSXGNW-UHFFFAOYSA-N 1 0 366.418 2.608 20 5 FFBDRO O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000449730433 514326052 /nfs/dbraw/zinc/32/60/52/514326052.db2.gz DSXCTENZJOSSAX-SWLSCSKDSA-N 1 0 358.423 2.542 20 5 FFBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000424001689 514331833 /nfs/dbraw/zinc/33/18/33/514331833.db2.gz POBJNPPTNGQUEA-QGZVFWFLSA-N 1 0 355.394 2.537 20 5 FFBDRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000424009911 514338554 /nfs/dbraw/zinc/33/85/54/514338554.db2.gz ZDRYDUVUUCGQLT-JKSUJKDBSA-N 1 0 367.833 2.607 20 5 FFBDRO [NH3+]C[C@@H]1CN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)CCCO1 ZINC000424029392 514348166 /nfs/dbraw/zinc/34/81/66/514348166.db2.gz XWWQYWISHGANIE-MRXNPFEDSA-N 1 0 370.409 2.528 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)c1 ZINC000424040670 514354063 /nfs/dbraw/zinc/35/40/63/514354063.db2.gz MGIIFCRCSOWHRU-QGZVFWFLSA-N 1 0 361.442 2.844 20 5 FFBDRO O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1CCC2(CC[NH2+]2)CC1 ZINC000424050855 514358331 /nfs/dbraw/zinc/35/83/31/514358331.db2.gz GGPGFMCDLLEZHL-UHFFFAOYSA-N 1 0 373.331 2.504 20 5 FFBDRO [NH3+][C@H]1CCC[C@H](CNC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000414960276 514376979 /nfs/dbraw/zinc/37/69/79/514376979.db2.gz YBXHYCQWWXWMRT-UWVGGRQHSA-N 1 0 358.345 2.835 20 5 FFBDRO CC[C@H]1C[NH+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C[C@H](CC)O1 ZINC000420964262 514405427 /nfs/dbraw/zinc/40/54/27/514405427.db2.gz WNMXSFHFFOMJKT-KBPBESRZSA-N 1 0 365.430 2.821 20 5 FFBDRO CN1C(=O)CC[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1=O ZINC000424205400 514416048 /nfs/dbraw/zinc/41/60/48/514416048.db2.gz MXTKDWPJMCNVKK-CQSZACIVSA-N 1 0 359.407 2.560 20 5 FFBDRO CN1C(=O)CC[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1=O ZINC000424205399 514416460 /nfs/dbraw/zinc/41/64/60/514416460.db2.gz MXTKDWPJMCNVKK-AWEZNQCLSA-N 1 0 359.407 2.560 20 5 FFBDRO C[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1CC(OC(C)(C)C)C1 ZINC000420987650 514425685 /nfs/dbraw/zinc/42/56/85/514425685.db2.gz QIAVAIZMPFVLJE-CKDBGZEDSA-N 1 0 352.431 2.612 20 5 FFBDRO CCCN(CC[NH+](CC)CC)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000461143190 514523037 /nfs/dbraw/zinc/52/30/37/514523037.db2.gz MTONVJSCTKXKFH-UHFFFAOYSA-N 1 0 373.457 2.975 20 5 FFBDRO Cc1cc(NC(=O)COc2cccc([N+](=O)[O-])c2)ccc1OCC[NH+](C)C ZINC000458195066 514619000 /nfs/dbraw/zinc/61/90/00/514619000.db2.gz KYDNBTXSCVVXQQ-UHFFFAOYSA-N 1 0 373.409 2.861 20 5 FFBDRO C[NH+](C)CCN(Cc1ccsc1)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000458207719 514629422 /nfs/dbraw/zinc/62/94/22/514629422.db2.gz WGOPQWVKDJRHRC-UHFFFAOYSA-N 1 0 351.403 2.999 20 5 FFBDRO CCOC(=O)C[N@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)C(C)(C)C ZINC000475349969 514631110 /nfs/dbraw/zinc/63/11/10/514631110.db2.gz PLYQTABMIHBTFW-UHFFFAOYSA-N 1 0 365.430 2.895 20 5 FFBDRO C[N@@H+]1CCC[C@H](CCNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000458238086 514653126 /nfs/dbraw/zinc/65/31/26/514653126.db2.gz ZNHFQWBUFVVXML-LLVKDONJSA-N 1 0 357.357 2.658 20 5 FFBDRO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000475454840 514670697 /nfs/dbraw/zinc/67/06/97/514670697.db2.gz SZQKEZPFLDFERF-AWEZNQCLSA-N 1 0 367.833 2.575 20 5 FFBDRO COc1cc(OCC(=O)Nc2ccc(C[NH+](C)C)c(C)c2)ccc1[N+](=O)[O-] ZINC000458284694 514687503 /nfs/dbraw/zinc/68/75/03/514687503.db2.gz NHJMJEMKAALRQG-UHFFFAOYSA-N 1 0 373.409 2.991 20 5 FFBDRO CCN(CCC[NH+](CC)CC)C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000508217782 514709389 /nfs/dbraw/zinc/70/93/89/514709389.db2.gz UTQFBJWOHOUEHF-UHFFFAOYSA-N 1 0 351.403 2.518 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN(CCC[NH3+])Cc1ccccc1 ZINC000479786767 514723661 /nfs/dbraw/zinc/72/36/61/514723661.db2.gz XLDYASXRWARJDJ-UHFFFAOYSA-N 1 0 356.426 2.693 20 5 FFBDRO Cc1cc(NCc2cccnc2N2CC[NH+](C)CC2)c(F)cc1[N+](=O)[O-] ZINC000461779367 514733692 /nfs/dbraw/zinc/73/36/92/514733692.db2.gz KTKNJHOINYWIGQ-UHFFFAOYSA-N 1 0 359.405 2.801 20 5 FFBDRO C[C@@H](CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)[N@@H+]1CCCC[C@H]1C ZINC000479858255 514746938 /nfs/dbraw/zinc/74/69/38/514746938.db2.gz AUXVGQIPCCVPKS-CABCVRRESA-N 1 0 371.441 2.773 20 5 FFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@](C)(O)C(=O)OC(C)(C)C ZINC000484747506 514780845 /nfs/dbraw/zinc/78/08/45/514780845.db2.gz AJCAWMPQTMAKDE-FZKQIMNGSA-N 1 0 352.431 2.598 20 5 FFBDRO CNc1nc(C(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000455861287 514790399 /nfs/dbraw/zinc/79/03/99/514790399.db2.gz NEVCSFJSYXZBOY-CQSZACIVSA-N 1 0 371.441 2.672 20 5 FFBDRO COCC[N@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@H]1CC[C@H](C)C1 ZINC000484884014 514828984 /nfs/dbraw/zinc/82/89/84/514828984.db2.gz MFKGSIKYFNHTIO-KBPBESRZSA-N 1 0 365.430 2.679 20 5 FFBDRO C[NH+](C)CC1(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CCC1 ZINC000508638251 514851989 /nfs/dbraw/zinc/85/19/89/514851989.db2.gz QWUNCQZLEUVQQS-UHFFFAOYSA-N 1 0 360.439 2.932 20 5 FFBDRO CC(C)C[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000485036211 514884853 /nfs/dbraw/zinc/88/48/53/514884853.db2.gz TYXXDLJPUKLCEO-UHFFFAOYSA-N 1 0 357.357 2.610 20 5 FFBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000508776019 514891217 /nfs/dbraw/zinc/89/12/17/514891217.db2.gz WRTQEDKRWLTJSM-UPJWGTAASA-N 1 0 359.430 2.567 20 5 FFBDRO CC[N@@H+]1C[C@H](C)N(C(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC000498566548 514970932 /nfs/dbraw/zinc/97/09/32/514970932.db2.gz LIQZVJFBCGBESP-AVGNSLFASA-N 1 0 369.849 2.957 20 5 FFBDRO C[NH+](C)[C@H](CNc1ncnc2cccc([N+](=O)[O-])c21)c1ccc(F)cc1 ZINC000509029234 514995068 /nfs/dbraw/zinc/99/50/68/514995068.db2.gz DISNNYHBDKNOLK-MRXNPFEDSA-N 1 0 355.373 2.814 20 5 FFBDRO Cc1nn(Cc2ccc(C(=O)N[C@@H](C)CC[NH+](C)C)cc2)c(C)c1[N+](=O)[O-] ZINC000498647680 515008965 /nfs/dbraw/zinc/00/89/65/515008965.db2.gz VQNMYUXJVKWMHU-ZDUSSCGKSA-N 1 0 373.457 2.526 20 5 FFBDRO COc1cc(C[NH2+][C@@H]2CC[C@H](OC)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000471796196 515014519 /nfs/dbraw/zinc/01/45/19/515014519.db2.gz CQGWVTAACZNJER-NEPJUHHUSA-N 1 0 360.357 2.904 20 5 FFBDRO C[C@H]([NH2+]CCCCN1C(=O)NC2(CCCC2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000480767031 515075422 /nfs/dbraw/zinc/07/54/22/515075422.db2.gz SDTZKOPRHUTYQO-AWEZNQCLSA-N 1 0 374.441 2.890 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)c1C ZINC000480946220 515147061 /nfs/dbraw/zinc/14/70/61/515147061.db2.gz ANGOXYKWHRQZRB-JSGCOSHPSA-N 1 0 369.487 2.610 20 5 FFBDRO O=[N+]([O-])c1cccc(C[N@H+](CCc2nnnn2-c2ccccc2)C2CC2)c1 ZINC000490419189 515204443 /nfs/dbraw/zinc/20/44/43/515204443.db2.gz PFLXLYYTPNZRPZ-UHFFFAOYSA-N 1 0 364.409 2.778 20 5 FFBDRO CC(C)(C)CC[NH+]1CCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000485856512 515219422 /nfs/dbraw/zinc/21/94/22/515219422.db2.gz GZWQRIAYCXYLHS-UHFFFAOYSA-N 1 0 369.412 2.996 20 5 FFBDRO COc1ccc(OCC[N@H+](CCO)CC2CCCCC2)c([N+](=O)[O-])c1 ZINC000485859807 515221537 /nfs/dbraw/zinc/22/15/37/515221537.db2.gz REYLCWMEPOFPKP-UHFFFAOYSA-N 1 0 352.431 2.857 20 5 FFBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000485903450 515249563 /nfs/dbraw/zinc/24/95/63/515249563.db2.gz DXTULWNTUKHQEW-VXGBXAGGSA-N 1 0 355.385 2.652 20 5 FFBDRO COc1c(C(=O)NCc2ccc(CC[NH+](C)C)cc2)cccc1[N+](=O)[O-] ZINC000476935799 515255847 /nfs/dbraw/zinc/25/58/47/515255847.db2.gz DNCCMYDSUOFJIW-UHFFFAOYSA-N 1 0 357.410 2.638 20 5 FFBDRO COc1ccc(C[NH+]2CCC(CNC(=O)c3cc([N+](=O)[O-])c[nH]3)CC2)cc1 ZINC000499295756 515273764 /nfs/dbraw/zinc/27/37/64/515273764.db2.gz KLOUQJQRQFJSMY-UHFFFAOYSA-N 1 0 372.425 2.574 20 5 FFBDRO CNc1c(C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000462907851 515293134 /nfs/dbraw/zinc/29/31/34/515293134.db2.gz UQUUMHYUMWCFCL-OAHLLOKOSA-N 1 0 356.426 2.539 20 5 FFBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000477139078 515344630 /nfs/dbraw/zinc/34/46/30/515344630.db2.gz PSXRZXGIVMTYMI-JHJVBQTASA-N 1 0 373.500 2.682 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CC=C(c3ccc(O)cc3)CC2)c1 ZINC000477174458 515358009 /nfs/dbraw/zinc/35/80/09/515358009.db2.gz HTUBDXDOFACDQK-LJQANCHMSA-N 1 0 370.405 2.829 20 5 FFBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000463143380 515378169 /nfs/dbraw/zinc/37/81/69/515378169.db2.gz OEQSODDHOSCARK-OAGGEKHMSA-N 1 0 362.474 2.514 20 5 FFBDRO Cn1c(C(=O)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000477298947 515404274 /nfs/dbraw/zinc/40/42/74/515404274.db2.gz YJGHXWKUSSZBTR-KRWDZBQOSA-N 1 0 356.426 2.574 20 5 FFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCN1CCOC[C@H]1C ZINC000504899778 515404363 /nfs/dbraw/zinc/40/43/63/515404363.db2.gz MBBCHCKISMSOAI-CABCVRRESA-N 1 0 353.488 2.776 20 5 FFBDRO C[N@@H+]1C[C@H](NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)[C@@H](c2ccccc2)C1 ZINC000481793546 515468892 /nfs/dbraw/zinc/46/88/92/515468892.db2.gz KKWMTEZKDDGUMM-MJGOQNOKSA-N 1 0 364.405 2.904 20 5 FFBDRO CCN(CCC[NH+](CC)CC)C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000473004187 515477064 /nfs/dbraw/zinc/47/70/64/515477064.db2.gz XOSYYTJAUWKTIK-UHFFFAOYSA-N 1 0 373.457 2.975 20 5 FFBDRO C[NH+](C)CCOc1cc(CNc2nc3ccccc3cc2[N+](=O)[O-])ccn1 ZINC000473533969 515651600 /nfs/dbraw/zinc/65/16/00/515651600.db2.gz OZRHZVQFLRGZKB-UHFFFAOYSA-N 1 0 367.409 2.512 20 5 FFBDRO C[N@H+](CCCCNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)C1CC1 ZINC000457161111 515694865 /nfs/dbraw/zinc/69/48/65/515694865.db2.gz CUQZMGZZMCOSSD-UHFFFAOYSA-N 1 0 357.357 2.800 20 5 FFBDRO C[C@@H]1CN(C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@H](C)C[NH2+]1 ZINC000505857070 515698385 /nfs/dbraw/zinc/69/83/85/515698385.db2.gz NQPKRAIWSCZVEE-GHMZBOCLSA-N 1 0 374.363 2.624 20 5 FFBDRO CCC[C@@H](NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000482569755 515723989 /nfs/dbraw/zinc/72/39/89/515723989.db2.gz QFLZIPXNGUPZHW-SJLPKXTDSA-N 1 0 362.474 2.613 20 5 FFBDRO Cc1ccc(S(=O)(=O)NC[C@H](C2CCCCC2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000473903405 515796488 /nfs/dbraw/zinc/79/64/88/515796488.db2.gz HGXXVUGOHQRNHR-MRXNPFEDSA-N 1 0 369.487 2.692 20 5 FFBDRO C[C@H]([NH2+]CCC(=O)NCC(=O)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000511171993 515813632 /nfs/dbraw/zinc/81/36/32/515813632.db2.gz KKHKSQASUCBGTJ-AWEZNQCLSA-N 1 0 355.394 2.635 20 5 FFBDRO COc1cccc(C(=O)N2CC[C@H](c3ccc(F)cc3)[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000457360942 515827763 /nfs/dbraw/zinc/82/77/63/515827763.db2.gz FVDBBEZVTJNWKR-GDBMZVCRSA-N 1 0 373.384 2.700 20 5 FFBDRO Cc1c(CNC(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000478460836 515833672 /nfs/dbraw/zinc/83/36/72/515833672.db2.gz KCYMKSZJSMVKOW-SFHVURJKSA-N 1 0 370.453 2.875 20 5 FFBDRO C[C@H](NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1)C(C)(C)C[NH+](C)C ZINC000511550920 515941593 /nfs/dbraw/zinc/94/15/93/515941593.db2.gz HZRPCZLSPIKDIX-AWEZNQCLSA-N 1 0 350.463 2.755 20 5 FFBDRO C[C@H]1C[C@@H](NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000501087496 515974040 /nfs/dbraw/zinc/97/40/40/515974040.db2.gz UQWQGTDFMDRWST-ONGXEEELSA-N 1 0 371.235 2.962 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000474344559 516001367 /nfs/dbraw/zinc/00/13/67/516001367.db2.gz BKDCMQKMASHGEL-QGZVFWFLSA-N 1 0 370.405 2.794 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+]Cc2ccc(C)c(OC)c2)cc1[N+](=O)[O-] ZINC000474359624 516010896 /nfs/dbraw/zinc/01/08/96/516010896.db2.gz UZFVFYSDOMOXIN-UHFFFAOYSA-N 1 0 374.393 2.753 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+]Cc2sccc2C)cc1[N+](=O)[O-] ZINC000474365411 516014228 /nfs/dbraw/zinc/01/42/28/516014228.db2.gz ARUIJOFVMNLPPA-UHFFFAOYSA-N 1 0 350.396 2.806 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+]C2(c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000474372700 516017437 /nfs/dbraw/zinc/01/74/37/516017437.db2.gz PQDVIWHKKGNBQC-UHFFFAOYSA-N 1 0 356.378 2.926 20 5 FFBDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000464937344 516020604 /nfs/dbraw/zinc/02/06/04/516020604.db2.gz RIGUEYAQFFSTLV-KRWDZBQOSA-N 1 0 370.453 2.918 20 5 FFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000501234353 516025984 /nfs/dbraw/zinc/02/59/84/516025984.db2.gz OJGRFUAPHZESPR-GDBMZVCRSA-N 1 0 354.410 2.864 20 5 FFBDRO COc1c(C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000474416208 516036764 /nfs/dbraw/zinc/03/67/64/516036764.db2.gz VRIGAPTUTVHFRS-UHFFFAOYSA-N 1 0 369.421 2.952 20 5 FFBDRO CC1=CC[N@H+](CCNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC1 ZINC000460221614 516074482 /nfs/dbraw/zinc/07/44/82/516074482.db2.gz OLGUNIXUGHYYAC-UHFFFAOYSA-N 1 0 358.442 2.921 20 5 FFBDRO CN(CC[N@H+](C)C1CC1)C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000474555834 516093876 /nfs/dbraw/zinc/09/38/76/516093876.db2.gz JPFILOUHKJAYNQ-UHFFFAOYSA-N 1 0 357.863 2.893 20 5 FFBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000512043146 516127245 /nfs/dbraw/zinc/12/72/45/516127245.db2.gz XEIBEGVECRJMBI-STQMWFEESA-N 1 0 369.849 2.864 20 5 FFBDRO C[C@@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc2n[nH]cc2c1 ZINC000507268016 516149719 /nfs/dbraw/zinc/14/97/19/516149719.db2.gz OCCATRFGUQUUCJ-XIKOKIGWSA-N 1 0 365.393 2.927 20 5 FFBDRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000483642946 516155083 /nfs/dbraw/zinc/15/50/83/516155083.db2.gz NGAMQCRYXFBNND-HNNXBMFYSA-N 1 0 360.458 2.927 20 5 FFBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000507618706 516264234 /nfs/dbraw/zinc/26/42/34/516264234.db2.gz SXERDXXWNYOCIL-RDJZCZTQSA-N 1 0 369.421 2.925 20 5 FFBDRO Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC000507871226 516316588 /nfs/dbraw/zinc/31/65/88/516316588.db2.gz VMPRATUTLLRATC-UHFFFAOYSA-N 1 0 370.457 2.845 20 5 FFBDRO COC[C@@](C)(CC(=O)OC)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000543619692 516331330 /nfs/dbraw/zinc/33/13/30/516331330.db2.gz XBGFCJUJVXPAKP-GOSISDBHSA-N 1 0 362.382 2.913 20 5 FFBDRO CC(=O)c1cc(N2CC[C@H](OCC[NH+]3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000557640184 516353195 /nfs/dbraw/zinc/35/31/95/516353195.db2.gz QOPNFMKNLWTNSP-KRWDZBQOSA-N 1 0 361.442 2.879 20 5 FFBDRO C[C@@H]1CCC[C@@](CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)([NH+](C)C)C1 ZINC000517546311 516357128 /nfs/dbraw/zinc/35/71/28/516357128.db2.gz PDATVMUONSMOJW-DNVCBOLYSA-N 1 0 362.474 2.947 20 5 FFBDRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000523135676 516394695 /nfs/dbraw/zinc/39/46/95/516394695.db2.gz UXDPLOMDONOULU-OAHLLOKOSA-N 1 0 369.849 2.816 20 5 FFBDRO CC[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CCOCC1 ZINC000557707792 516396973 /nfs/dbraw/zinc/39/69/73/516396973.db2.gz BHQOCSHORGIOIU-AWEZNQCLSA-N 1 0 355.822 2.982 20 5 FFBDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000523202405 516408154 /nfs/dbraw/zinc/40/81/54/516408154.db2.gz NXARONCXWLIVET-HNNXBMFYSA-N 1 0 362.474 2.947 20 5 FFBDRO COc1cc(C[N@H+](C)CCn2cc([N+](=O)[O-])cn2)ccc1OC(F)F ZINC000531342494 516419046 /nfs/dbraw/zinc/41/90/46/516419046.db2.gz GNQXNPZQGOWLIA-UHFFFAOYSA-N 1 0 356.329 2.533 20 5 FFBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000523284773 516424033 /nfs/dbraw/zinc/42/40/33/516424033.db2.gz DAXNZPRFKMHIFI-SFHVURJKSA-N 1 0 360.458 2.874 20 5 FFBDRO Cc1cccc(NCC[NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)n1 ZINC000540155443 516457862 /nfs/dbraw/zinc/45/78/62/516457862.db2.gz GBPCFZFLAVVXNG-AWEZNQCLSA-N 1 0 357.414 2.717 20 5 FFBDRO NC(=O)c1cccc(NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000561232494 516468064 /nfs/dbraw/zinc/46/80/64/516468064.db2.gz VSWUYTFRGNFWMM-HNNXBMFYSA-N 1 0 354.410 2.770 20 5 FFBDRO CN1CC[N@H+](CCCNc2ccc([N+](=O)[O-])nc2)[C@@H](c2ccccc2)C1 ZINC000513103549 516476431 /nfs/dbraw/zinc/47/64/31/516476431.db2.gz WKWAJUDDIXPOLG-GOSISDBHSA-N 1 0 355.442 2.781 20 5 FFBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000557877161 516483263 /nfs/dbraw/zinc/48/32/63/516483263.db2.gz AKYCUOJHBRQFFU-CVEARBPZSA-N 1 0 362.474 2.899 20 5 FFBDRO CCc1cnccc1[C@H](C)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000543981280 516524715 /nfs/dbraw/zinc/52/47/15/516524715.db2.gz NKHOIBVCSIJONQ-LBPRGKRZSA-N 1 0 358.398 2.850 20 5 FFBDRO CCc1cnccc1[C@H](C)[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000543980965 516524805 /nfs/dbraw/zinc/52/48/05/516524805.db2.gz VLLQUPVCUIBEDN-ZDUSSCGKSA-N 1 0 354.410 2.792 20 5 FFBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H](C)C1 ZINC000561347279 516534799 /nfs/dbraw/zinc/53/47/99/516534799.db2.gz IDPLMKXOSNMIJX-AHIWAGSCSA-N 1 0 365.861 2.979 20 5 FFBDRO C[NH+](C)CCN(C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)C1CCCC1 ZINC000523664255 516537533 /nfs/dbraw/zinc/53/75/33/516537533.db2.gz MVCSPOPUNWKIOA-UHFFFAOYSA-N 1 0 371.441 2.727 20 5 FFBDRO C[N@H+](CCCN1C(=O)c2ccccc2C1=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000561404218 516563484 /nfs/dbraw/zinc/56/34/84/516563484.db2.gz RZPIVAKBFSOWCE-UHFFFAOYSA-N 1 0 353.378 2.713 20 5 FFBDRO C[C@@H]([NH2+]CCOc1ccc(S(C)(=O)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000531720452 516610186 /nfs/dbraw/zinc/61/01/86/516610186.db2.gz OHNCZQNZLAPRLM-CYBMUJFWSA-N 1 0 364.423 2.728 20 5 FFBDRO C[C@@H]1CCC[C@@](CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)([NH+](C)C)C1 ZINC000524311896 516692917 /nfs/dbraw/zinc/69/29/17/516692917.db2.gz OAZFYYOVRSEPLX-KZULUSFZSA-N 1 0 363.414 2.564 20 5 FFBDRO CCc1ccc([C@H](NC[C@@H](O)C[NH+]2CCCC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000544361028 516725498 /nfs/dbraw/zinc/72/54/98/516725498.db2.gz PBWQYBWJJPXFTI-YLJYHZDGSA-N 1 0 373.453 2.886 20 5 FFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H](O)CCc1ccccc1 ZINC000544374693 516730383 /nfs/dbraw/zinc/73/03/83/516730383.db2.gz AYHANIJYIRIRAG-HNAYVOBHSA-N 1 0 371.437 2.895 20 5 FFBDRO CC[C@@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1c(C)nn(C)c1C ZINC000544418372 516751959 /nfs/dbraw/zinc/75/19/59/516751959.db2.gz NHVZNLPHKHNTRG-SJORKVTESA-N 1 0 371.441 2.791 20 5 FFBDRO COCC[C@H](C)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000558490874 516774857 /nfs/dbraw/zinc/77/48/57/516774857.db2.gz KRCKNACVWQRROQ-VIFPVBQESA-N 1 0 364.183 2.714 20 5 FFBDRO CCCc1n[nH]c(C(=O)N2CCC[C@H]([NH+]3[C@@H](C)CC[C@@H]3C)C2)c1[N+](=O)[O-] ZINC000524637201 516776038 /nfs/dbraw/zinc/77/60/38/516776038.db2.gz QDOODUOOWSHPIF-IHRRRGAJSA-N 1 0 363.462 2.748 20 5 FFBDRO CC(C)N(CC[NH+]1CCCCCC1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000561914116 516826737 /nfs/dbraw/zinc/82/67/37/516826737.db2.gz PEGXRLKIVIBYTF-UHFFFAOYSA-N 1 0 362.474 2.780 20 5 FFBDRO C[NH+]1CCC(C)(CNC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CC1 ZINC000541025121 516836282 /nfs/dbraw/zinc/83/62/82/516836282.db2.gz DJDQNZFPCQCQJQ-UHFFFAOYSA-N 1 0 357.357 2.658 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)C[C@H]1C ZINC000544655996 516859025 /nfs/dbraw/zinc/85/90/25/516859025.db2.gz VGEJWRDABHVNSO-UKRRQHHQSA-N 1 0 369.487 2.705 20 5 FFBDRO O=[N+]([O-])c1ccc2nc(N[C@@H]3CCCC[C@@H]3[NH+]3CCOCC3)ccc2c1 ZINC000532421269 516968369 /nfs/dbraw/zinc/96/83/69/516968369.db2.gz XULYAAFTDLWBRV-MSOLQXFVSA-N 1 0 356.426 2.620 20 5 FFBDRO COC(=O)CC1([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCCC1 ZINC000548426819 516977329 /nfs/dbraw/zinc/97/73/29/516977329.db2.gz LVKAKOIZIOSKRF-UHFFFAOYSA-N 1 0 369.805 2.652 20 5 FFBDRO Cc1c(NC(=O)[C@@H](C)N2CC[C@]3(C2)CCC[N@H+](C)C3)cccc1[N+](=O)[O-] ZINC000555598144 517005252 /nfs/dbraw/zinc/00/52/52/517005252.db2.gz PBWDGTYUBDKFDD-DNVCBOLYSA-N 1 0 360.458 2.648 20 5 FFBDRO Cc1ccc([C@@H](CC(=O)OC(C)C)[NH2+]CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000537166681 517065210 /nfs/dbraw/zinc/06/52/10/517065210.db2.gz XBCIEUDMUYEDEW-QGZVFWFLSA-N 1 0 360.414 2.772 20 5 FFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](c1nccn1C)C1CC1 ZINC000552087994 517072004 /nfs/dbraw/zinc/07/20/04/517072004.db2.gz YHJYNIHTMHVEFF-PXAZEXFGSA-N 1 0 357.414 2.786 20 5 FFBDRO C[C@@H](CCC(C)(C)C)[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000514850980 517089812 /nfs/dbraw/zinc/08/98/12/517089812.db2.gz FAIIJTNKJJLXFT-ZDUSSCGKSA-N 1 0 357.476 2.678 20 5 FFBDRO C[C@@H]1CCC[N@H+](CCN[C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C1 ZINC000552254473 517164131 /nfs/dbraw/zinc/16/41/31/517164131.db2.gz GHSOOFHKVVSOIX-QAPCUYQASA-N 1 0 357.458 2.739 20 5 FFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H](c1nccn1C)C1CC1 ZINC000552322493 517197190 /nfs/dbraw/zinc/19/71/90/517197190.db2.gz PGKYTJRNSYJGBR-PXAZEXFGSA-N 1 0 357.414 2.786 20 5 FFBDRO C[NH+](C)C[C@@H](O)COc1ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000519895411 517237282 /nfs/dbraw/zinc/23/72/82/517237282.db2.gz CFVDZYQNGQRXIS-MRXNPFEDSA-N 1 0 374.397 2.540 20 5 FFBDRO COc1ccc(OCC[NH2+][C@@H](C(C)C)C2(CO)CCC2)c([N+](=O)[O-])c1 ZINC000559443335 517260532 /nfs/dbraw/zinc/26/05/32/517260532.db2.gz GLGYBANGJCEJBH-KRWDZBQOSA-N 1 0 352.431 2.759 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CC[C@@H](c3cccc(F)c3)C2)c1 ZINC000552513153 517291476 /nfs/dbraw/zinc/29/14/76/517291476.db2.gz ILTQCICOILRBLE-QAPCUYQASA-N 1 0 360.385 2.963 20 5 FFBDRO O=C(CN1CCCC[C@H]1[C@@H]1CCC[NH2+]1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000520206404 517299650 /nfs/dbraw/zinc/29/96/50/517299650.db2.gz HJQOALMPZCNCDI-HOTGVXAUSA-N 1 0 366.849 2.793 20 5 FFBDRO COc1cccc(N2C[C@@H]([NH2+]Cc3ccc(OC)c([N+](=O)[O-])c3)CC2=O)c1 ZINC000520216523 517303133 /nfs/dbraw/zinc/30/31/33/517303133.db2.gz OKTFFXLJCYMSDB-AWEZNQCLSA-N 1 0 371.393 2.507 20 5 FFBDRO COc1ccc(-c2ccc(C[NH2+]CC(C)(C)OCCO)o2)c([N+](=O)[O-])c1 ZINC000515400404 517335294 /nfs/dbraw/zinc/33/52/94/517335294.db2.gz LSEGKZWPESBHRM-UHFFFAOYSA-N 1 0 364.398 2.741 20 5 FFBDRO CC(C)N(C(=O)CN1CCN(c2ccccc2[N+](=O)[O-])CC1)C1CCCC1 ZINC000533235682 517357427 /nfs/dbraw/zinc/35/74/27/517357427.db2.gz UHTPYVBEKXMJRT-UHFFFAOYSA-N 1 0 374.485 2.896 20 5 FFBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000533375910 517432563 /nfs/dbraw/zinc/43/25/63/517432563.db2.gz LQXFJNDPMQBMST-CPUCHLNUSA-N 1 0 360.458 2.531 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(OC(C)C)CC1 ZINC000533475394 517482415 /nfs/dbraw/zinc/48/24/15/517482415.db2.gz ASFGPIWGUCEZBB-UHFFFAOYSA-N 1 0 365.430 2.821 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H]3CCCCS3(=O)=O)o2)cc1 ZINC000542311221 517498276 /nfs/dbraw/zinc/49/82/76/517498276.db2.gz NHQFKNULIWDTJX-INIZCTEOSA-N 1 0 364.423 2.912 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCCCCC[NH+]2CCCCC2)n1 ZINC000553059014 517503777 /nfs/dbraw/zinc/50/37/77/517503777.db2.gz ZOCLPJAGWQTMIJ-UHFFFAOYSA-N 1 0 350.419 2.845 20 5 FFBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)COc2ccc3c(c2)OCO3)cc1[N+](=O)[O-] ZINC000538277658 517536171 /nfs/dbraw/zinc/53/61/71/517536171.db2.gz WSRRWRFYNKVHRX-HIFRSBDPSA-N 1 0 374.393 2.722 20 5 FFBDRO COc1ccc(CSCC(=O)N2CCCC[C@H]2CC[NH3+])cc1[N+](=O)[O-] ZINC000562979412 517552030 /nfs/dbraw/zinc/55/20/30/517552030.db2.gz UFBZXMYIRIENKB-AWEZNQCLSA-N 1 0 367.471 2.567 20 5 FFBDRO C[NH+](C)CCc1ccc(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)cc1 ZINC000553211842 517579130 /nfs/dbraw/zinc/57/91/30/517579130.db2.gz JYZMHFJSCNFUOA-UHFFFAOYSA-N 1 0 353.382 2.828 20 5 FFBDRO C[C@H](CNC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1)C[NH+](C)C ZINC000553231263 517589291 /nfs/dbraw/zinc/58/92/91/517589291.db2.gz AXRNOPMHJBHFNX-OAHLLOKOSA-N 1 0 362.474 2.759 20 5 FFBDRO Cc1ccc(S(=O)(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)c([N+](=O)[O-])c1 ZINC000521210632 517650367 /nfs/dbraw/zinc/65/03/67/517650367.db2.gz ZKFOIAHFTGOGOP-UHFFFAOYSA-N 1 0 369.487 2.644 20 5 FFBDRO CC[C@H]([NH3+])CNC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000563118595 517670440 /nfs/dbraw/zinc/67/04/40/517670440.db2.gz DGGJNRZXNPSHEQ-OCCSQVGLSA-N 1 0 357.414 2.630 20 5 FFBDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000542711834 517699151 /nfs/dbraw/zinc/69/91/51/517699151.db2.gz DFPVOJQTCAMCDB-CQSZACIVSA-N 1 0 368.409 2.699 20 5 FFBDRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000516500813 517713087 /nfs/dbraw/zinc/71/30/87/517713087.db2.gz OLMPWWDAEBKMAH-IRXDYDNUSA-N 1 0 372.469 2.554 20 5 FFBDRO C[C@@H](CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)C[NH+]1CCCCC1 ZINC000521493369 517754854 /nfs/dbraw/zinc/75/48/54/517754854.db2.gz BEBCXMUBQSNFDR-HNNXBMFYSA-N 1 0 371.441 2.632 20 5 FFBDRO COc1cc(C[NH2+]C[C@]2(O)CCC[C@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000556958067 517774871 /nfs/dbraw/zinc/77/48/71/517774871.db2.gz CAGVBDKRAXSXJI-PIGZYNQJSA-N 1 0 374.384 2.888 20 5 FFBDRO Cc1c(NC(=O)CC[NH2+][C@@H](CO)c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000563261614 517777029 /nfs/dbraw/zinc/77/70/29/517777029.db2.gz GIRJCYSBJSXGNN-INIZCTEOSA-N 1 0 361.373 2.694 20 5 FFBDRO CC(C)Oc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])cn2C)[NH+](C)C)cc1 ZINC000553671649 517842544 /nfs/dbraw/zinc/84/25/44/517842544.db2.gz UAQREAAPEWXUOA-SFHVURJKSA-N 1 0 374.441 2.753 20 5 FFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCN1CCO[C@@H](C)C1 ZINC000534331535 517853651 /nfs/dbraw/zinc/85/36/51/517853651.db2.gz MFEODIOUCLFWLB-LSDHHAIUSA-N 1 0 353.488 2.776 20 5 FFBDRO C[C@@H]1C[C@H](N[C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC000560524578 517872837 /nfs/dbraw/zinc/87/28/37/517872837.db2.gz GWANERQKUTYDLY-XUWXXGDYSA-N 1 0 355.442 2.633 20 5 FFBDRO Cn1ccnc1[C@H](N[C@H]1CCC[C@@H]([NH+](C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000560531849 517876248 /nfs/dbraw/zinc/87/62/48/517876248.db2.gz ZYPDRTHMLLVQKR-LZLYRXPVSA-N 1 0 357.458 2.880 20 5 FFBDRO COc1cc(CN2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c([N+](=O)[O-])cc1OC(F)F ZINC000521874735 517882946 /nfs/dbraw/zinc/88/29/46/517882946.db2.gz CNFVDSZWJQOFIN-CYZMBNFOSA-N 1 0 371.384 2.764 20 5 FFBDRO CCC[C@H](C)[C@H](CC)[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000539073127 517902416 /nfs/dbraw/zinc/90/24/16/517902416.db2.gz NYFNKUXDBFHWFA-KBPBESRZSA-N 1 0 357.476 2.678 20 5 FFBDRO C[C@H]([C@H]1Cc2ccccc2O1)[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000543136552 517927219 /nfs/dbraw/zinc/92/72/19/517927219.db2.gz HNVZZXQKYIOJIL-AKCHCHLHSA-N 1 0 372.421 2.659 20 5 FFBDRO COCC[N@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1ccc2c(c1)OCO2 ZINC000522081395 517979781 /nfs/dbraw/zinc/97/97/81/517979781.db2.gz ANXGSQKWBNOMPD-UHFFFAOYSA-N 1 0 374.393 2.851 20 5 FFBDRO COC(=O)CC[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)CC(C)C ZINC000522084724 517980998 /nfs/dbraw/zinc/98/09/98/517980998.db2.gz SOMPZSPZEXEZGF-UHFFFAOYSA-N 1 0 362.386 2.666 20 5 FFBDRO [NH3+]CCCN(Cc1ccccc1)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000563569959 517990673 /nfs/dbraw/zinc/99/06/73/517990673.db2.gz QYHJZUHIZBKVDN-UHFFFAOYSA-N 1 0 372.425 2.534 20 5 FFBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000522651380 518140961 /nfs/dbraw/zinc/14/09/61/518140961.db2.gz NTVBZYMPKQIEBO-UONOGXRCSA-N 1 0 367.833 2.760 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](CC(C)(C)O)C1CCOCC1 ZINC000539835438 518170595 /nfs/dbraw/zinc/17/05/95/518170595.db2.gz CSZHTAZATJDGDW-UHFFFAOYSA-N 1 0 352.431 2.745 20 5 FFBDRO C[C@@H]1CCC[C@@H](C)N1CCNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000539860631 518172858 /nfs/dbraw/zinc/17/28/58/518172858.db2.gz OQHOEYUPUFTOHL-GHMZBOCLSA-N 1 0 361.489 2.735 20 5 FFBDRO CC(C)Cc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])n[nH]2)[NH+](C)C)cc1 ZINC000564030461 518274296 /nfs/dbraw/zinc/27/42/96/518274296.db2.gz YXAYBCLKSDHEIC-MRXNPFEDSA-N 1 0 359.430 2.549 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2noc(CN3CCCC[C@@H]3[C@H]3CCC[NH2+]3)n2)c1 ZINC000578610943 518291875 /nfs/dbraw/zinc/29/18/75/518291875.db2.gz DKRAYVULZMYYCO-HZPDHXFCSA-N 1 0 357.414 2.751 20 5 FFBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000584343300 518292664 /nfs/dbraw/zinc/29/26/64/518292664.db2.gz JXVLRGVKXBUUNZ-HNNXBMFYSA-N 1 0 372.473 2.742 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000564132035 518317981 /nfs/dbraw/zinc/31/79/81/518317981.db2.gz ZMKUHRGIMXWUFE-OXQOHEQNSA-N 1 0 368.437 2.877 20 5 FFBDRO CC[NH+](CC)CCNC(=O)c1ccc(Oc2ccc([N+](=O)[O-])nc2)cc1 ZINC000564164464 518331991 /nfs/dbraw/zinc/33/19/91/518331991.db2.gz GODHAJSYKQCTSG-UHFFFAOYSA-N 1 0 358.398 2.854 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cccc(C[N@@H+]2CC[C@H](O)C2)c1 ZINC000570032329 518408160 /nfs/dbraw/zinc/40/81/60/518408160.db2.gz ZLAAOJDEJHZJBG-KRWDZBQOSA-N 1 0 355.394 2.722 20 5 FFBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)[C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1 ZINC000581832176 518459854 /nfs/dbraw/zinc/45/98/54/518459854.db2.gz YGLVSZRVWAWGJN-DLBZAZTESA-N 1 0 359.813 2.868 20 5 FFBDRO CC1=C[C@H](C)C[C@H](C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000564579912 518512293 /nfs/dbraw/zinc/51/22/93/518512293.db2.gz WOKVOKJKHWFERN-ZFWWWQNUSA-N 1 0 352.456 2.951 20 5 FFBDRO Cc1cc(C)c(S(=O)(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000570266666 518523436 /nfs/dbraw/zinc/52/34/36/518523436.db2.gz CERZYBRXPFUNEA-LSDHHAIUSA-N 1 0 367.471 2.507 20 5 FFBDRO CC1CC[NH+](CCNC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000570310598 518544782 /nfs/dbraw/zinc/54/47/82/518544782.db2.gz NXZLPNNKDLZMEA-UHFFFAOYSA-N 1 0 373.457 2.650 20 5 FFBDRO COC(=O)c1cc(C)nc(N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000579154211 518546041 /nfs/dbraw/zinc/54/60/41/518546041.db2.gz XLVSUTXSHGAQOS-SCRDCRAPSA-N 1 0 364.446 2.863 20 5 FFBDRO CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000582081315 518579335 /nfs/dbraw/zinc/57/93/35/518579335.db2.gz APAATHDRIUYROC-QGZVFWFLSA-N 1 0 371.441 2.727 20 5 FFBDRO C[C@@H]([NH3+])[C@H](C)NC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000564727782 518585904 /nfs/dbraw/zinc/58/59/04/518585904.db2.gz UVQLHBLCHOCJDK-AGIUHOORSA-N 1 0 357.414 2.628 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CCCc2ccccc2F)cc1 ZINC000582117782 518596579 /nfs/dbraw/zinc/59/65/79/518596579.db2.gz GWRCMPXZUJKDFM-UHFFFAOYSA-N 1 0 366.414 2.730 20 5 FFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]C2CCN(c3ccccn3)CC2)n1 ZINC000585794123 518602787 /nfs/dbraw/zinc/60/27/87/518602787.db2.gz FTMDPYXHQXSCMY-SJORKVTESA-N 1 0 370.457 2.929 20 5 FFBDRO Cn1cc(C(=O)N2CCC[C@H]([NH+](C)C)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000579307549 518615984 /nfs/dbraw/zinc/61/59/84/518615984.db2.gz ULSQLBGFWVZRTM-HNNXBMFYSA-N 1 0 371.441 2.552 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000567625037 518620686 /nfs/dbraw/zinc/62/06/86/518620686.db2.gz CKLLBHJYVLUOEE-KWCYVHTRSA-N 1 0 367.833 2.711 20 5 FFBDRO O=C(CC[NH2+]CC[C@@H]1COc2ccccc2O1)Nc1ccccc1[N+](=O)[O-] ZINC000567688075 518655193 /nfs/dbraw/zinc/65/51/93/518655193.db2.gz INONJWPNYACLAT-CQSZACIVSA-N 1 0 371.393 2.743 20 5 FFBDRO CSCc1ccc(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000579464753 518692910 /nfs/dbraw/zinc/69/29/10/518692910.db2.gz OJDOFOXCAAUTII-KRWDZBQOSA-N 1 0 362.451 2.987 20 5 FFBDRO CNC(=O)[C@H](C[NH2+]Cc1ccccc1[N+](=O)[O-])Cc1ccc(F)cc1C ZINC000564960833 518715877 /nfs/dbraw/zinc/71/58/77/518715877.db2.gz IZNDCRGJCCIGDV-INIZCTEOSA-N 1 0 359.401 2.737 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@H]2[C@@H]3c4ccccc4C[C@H]23)c1 ZINC000570710684 518742997 /nfs/dbraw/zinc/74/29/97/518742997.db2.gz HADPRJAONUYUPC-HUYLIWGRSA-N 1 0 354.406 2.510 20 5 FFBDRO CN(C)C(=O)[C@H](Cc1ccccc1)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000582497526 518783646 /nfs/dbraw/zinc/78/36/46/518783646.db2.gz VLRFESXVXYWSJZ-MSOLQXFVSA-N 1 0 353.422 2.871 20 5 FFBDRO COc1cccc2c1CC[C@@H]2[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000570837339 518805009 /nfs/dbraw/zinc/80/50/09/518805009.db2.gz QYYSOGDYRGYMMR-KSSFIOAISA-N 1 0 358.394 2.620 20 5 FFBDRO CCn1c(C)nc([N+](=O)[O-])c1NCc1cccc(CN2CCO[C@@H](C)C2)c1 ZINC000570847134 518809802 /nfs/dbraw/zinc/80/98/02/518809802.db2.gz XMROLJVSEYKOMH-AWEZNQCLSA-N 1 0 373.457 2.952 20 5 FFBDRO C[C@H]1C[C@@H](C[N@@H+]2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)CCO1 ZINC000571019501 518887249 /nfs/dbraw/zinc/88/72/49/518887249.db2.gz GJLREGDKHUZYLS-GJZGRUSLSA-N 1 0 373.457 2.798 20 5 FFBDRO O=[N+]([O-])c1cc(Br)ccc1N[C@@H](CO)C[NH+]1CCCCC1 ZINC000589101229 518914849 /nfs/dbraw/zinc/91/48/49/518914849.db2.gz IUMMNUSZJZLTIQ-GFCCVEGCSA-N 1 0 358.236 2.616 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCCC[C@H]2C[NH3+])cc1SC ZINC000565357877 518916184 /nfs/dbraw/zinc/91/61/84/518916184.db2.gz GWXZUFJKSKVGHF-JQWIXIFHSA-N 1 0 353.444 2.573 20 5 FFBDRO C[C@H](CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)[N@@H+]1CCCC[C@@H]1C ZINC000565502246 518988353 /nfs/dbraw/zinc/98/83/53/518988353.db2.gz ABTQXLHMEPZTKM-NWDGAFQWSA-N 1 0 355.385 2.795 20 5 FFBDRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000577341680 519029537 /nfs/dbraw/zinc/02/95/37/519029537.db2.gz FOFRQJCGVKIDQU-ZDUSSCGKSA-N 1 0 363.414 2.564 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCC1(SC)CC[NH+](C)CC1 ZINC000589604613 519039293 /nfs/dbraw/zinc/03/92/93/519039293.db2.gz NLLHBDHEHOYHIT-UHFFFAOYSA-N 1 0 367.471 2.929 20 5 FFBDRO CC[C@H]1C[N@H+](C)CCN1Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000568468357 519050786 /nfs/dbraw/zinc/05/07/86/519050786.db2.gz VVRVHTGKAAQHAA-LBPRGKRZSA-N 1 0 359.373 2.731 20 5 FFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H](SC)[C@H]([NH+](C)C)C1 ZINC000574243340 519056856 /nfs/dbraw/zinc/05/68/56/519056856.db2.gz DTXRNLDSLRITPY-HUUCEWRRSA-N 1 0 352.460 2.667 20 5 FFBDRO C[C@@H]1C[N@@H+](CC2CCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)C[C@H](C)O1 ZINC000574257132 519065238 /nfs/dbraw/zinc/06/52/38/519065238.db2.gz XSKXBESURGMWKC-OKILXGFUSA-N 1 0 373.457 2.797 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@H](O)CCc2ccccc2)n1 ZINC000565815044 519145126 /nfs/dbraw/zinc/14/51/26/519145126.db2.gz IBCVXMYVAWKBCS-KZNAEPCWSA-N 1 0 358.442 2.858 20 5 FFBDRO CC(C)[C@]1(CO)CCC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000590378294 519210089 /nfs/dbraw/zinc/21/00/89/519210089.db2.gz SUZDPAPXZAUIFZ-GOSISDBHSA-N 1 0 350.415 2.597 20 5 FFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](C2CC2)C2(CO)CCOCC2)c(Cl)c1 ZINC000590378387 519210639 /nfs/dbraw/zinc/21/06/39/519210639.db2.gz GPYALAZFPICTBM-MRXNPFEDSA-N 1 0 354.834 2.906 20 5 FFBDRO COc1ccccc1COC[C@H](O)C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000571672254 519212881 /nfs/dbraw/zinc/21/28/81/519212881.db2.gz VLTOAVVRGRTNDW-QGZVFWFLSA-N 1 0 360.410 2.579 20 5 FFBDRO COC1CC[NH+](C(C)(C)CNC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000580546282 519231906 /nfs/dbraw/zinc/23/19/06/519231906.db2.gz ZMXGJFTWCMEOMS-AWEZNQCLSA-N 1 0 363.458 2.704 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@@H]2CCC3(CCCCC3)O2)c1 ZINC000577742138 519233717 /nfs/dbraw/zinc/23/37/17/519233717.db2.gz ABYMYMZOOHNJQL-AEFFLSMTSA-N 1 0 364.442 2.806 20 5 FFBDRO C[C@H]1C[C@H](C)C[NH+](CCCCNc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C1 ZINC000571782400 519274003 /nfs/dbraw/zinc/27/40/03/519274003.db2.gz ORQQJEADKXOTBK-KBPBESRZSA-N 1 0 373.457 2.836 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000590599084 519283435 /nfs/dbraw/zinc/28/34/35/519283435.db2.gz AAJCNIQSDXBRAU-CVEARBPZSA-N 1 0 357.410 2.609 20 5 FFBDRO O=C1[C@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CCCN1CC(F)(F)F ZINC000574704432 519290289 /nfs/dbraw/zinc/29/02/89/519290289.db2.gz WNPQRBJBJGGQLN-CHWSQXEVSA-N 1 0 357.332 2.725 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H](C(C)C)[C@H](CO)C(C)C)c1 ZINC000590659161 519306540 /nfs/dbraw/zinc/30/65/40/519306540.db2.gz AOENUISLRUEEDW-WBVHZDCISA-N 1 0 352.431 2.760 20 5 FFBDRO CCO[C@@H]1C[C@@H]([NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C12CCCC2 ZINC000590739520 519341357 /nfs/dbraw/zinc/34/13/57/519341357.db2.gz WAVYGNDBHZAWAH-QZTJIDSGSA-N 1 0 373.453 2.811 20 5 FFBDRO COc1cccc([N+](=O)[O-])c1N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000574842841 519360401 /nfs/dbraw/zinc/36/04/01/519360401.db2.gz ILLHRQSDPAUKOW-GJZGRUSLSA-N 1 0 363.458 2.929 20 5 FFBDRO Cc1c(CNC(=O)N2CCc3ccccc3[C@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000566191634 519362194 /nfs/dbraw/zinc/36/21/94/519362194.db2.gz QZZLETVIEBSJJT-GOSISDBHSA-N 1 0 354.410 2.671 20 5 FFBDRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000590806561 519380038 /nfs/dbraw/zinc/38/00/38/519380038.db2.gz RMMICKYRKJIOBK-ROUUACIJSA-N 1 0 372.469 2.968 20 5 FFBDRO C[N@@H+]1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC12CCCCC2 ZINC000574887695 519385366 /nfs/dbraw/zinc/38/53/66/519385366.db2.gz AFCDHGCXVMVANV-UHFFFAOYSA-N 1 0 361.442 2.912 20 5 FFBDRO CC[C@H]1C[C@H](C[NH+]2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)CCO1 ZINC000572066661 519425523 /nfs/dbraw/zinc/42/55/23/519425523.db2.gz JJXDRXCDDYWVAJ-CVEARBPZSA-N 1 0 361.442 2.558 20 5 FFBDRO CC(C)C[C@](C)(C[NH3+])NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000578132913 519435155 /nfs/dbraw/zinc/43/51/55/519435155.db2.gz FTLYRSLJZSHHRI-LJQANCHMSA-N 1 0 362.474 2.691 20 5 FFBDRO O=[N+]([O-])c1ccc2nc(N3CCC[C@@H]([NH+]4CCOCC4)CC3)ccc2c1 ZINC000578206623 519474677 /nfs/dbraw/zinc/47/46/77/519474677.db2.gz YXLJSMBODHDDMD-MRXNPFEDSA-N 1 0 356.426 2.834 20 5 FFBDRO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000591016063 519477918 /nfs/dbraw/zinc/47/79/18/519477918.db2.gz OLRHIDSJYDBRHZ-KRWDZBQOSA-N 1 0 357.414 2.802 20 5 FFBDRO Cc1ccnc([C@@H]2CC[N@H+](C[C@H](O)COc3ccccc3[N+](=O)[O-])C2)c1 ZINC000566429314 519488557 /nfs/dbraw/zinc/48/85/57/519488557.db2.gz SNYLECDLDHUMCB-CVEARBPZSA-N 1 0 357.410 2.527 20 5 FFBDRO CC(C)n1c(Sc2ncc([N+](=O)[O-])cc2F)nnc1C1CC[NH2+]CC1 ZINC000591147247 519529472 /nfs/dbraw/zinc/52/94/72/519529472.db2.gz BSUCGEISJRLTMR-UHFFFAOYSA-N 1 0 366.422 2.920 20 5 FFBDRO O=C(CC[NH2+][C@@H](CO)c1ccc(Cl)cc1)Nc1ccccc1[N+](=O)[O-] ZINC000575165528 519535482 /nfs/dbraw/zinc/53/54/82/519535482.db2.gz PUAUOYWEEAJINW-HNNXBMFYSA-N 1 0 363.801 2.900 20 5 FFBDRO C[C@@H]1CCC[N@H+](CCNC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000569444339 519552633 /nfs/dbraw/zinc/55/26/33/519552633.db2.gz IOKJFQDGQWCWCT-CQSZACIVSA-N 1 0 373.457 2.650 20 5 FFBDRO C[C@H](C(=O)NCc1ccc(OCC[NH+](C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000572341991 519564617 /nfs/dbraw/zinc/56/46/17/519564617.db2.gz LWYCVXCVKDDATN-HNNXBMFYSA-N 1 0 371.437 2.955 20 5 FFBDRO CC1(C)C[C@@H]([NH2+]CC2CCS(=O)(=O)CC2)c2cc([N+](=O)[O-])ccc21 ZINC000572343203 519564741 /nfs/dbraw/zinc/56/47/41/519564741.db2.gz WKWPBIIEADKWNH-MRXNPFEDSA-N 1 0 352.456 2.732 20 5 FFBDRO CCOc1cc(NC(=O)NC[C@@H]2CCCC[NH2+]2)c([N+](=O)[O-])cc1OCC ZINC000591273456 519567933 /nfs/dbraw/zinc/56/79/33/519567933.db2.gz LMABZGDMKVYOKI-LBPRGKRZSA-N 1 0 366.418 2.656 20 5 FFBDRO O=C(CC[NH2+][C@H]1CCO[C@]2(CCSC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000575248892 519572086 /nfs/dbraw/zinc/57/20/86/519572086.db2.gz XJXJMSDHRCCDRL-SUMWQHHRSA-N 1 0 365.455 2.568 20 5 FFBDRO CC[C@@H]1CN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000591306376 519582792 /nfs/dbraw/zinc/58/27/92/519582792.db2.gz BDHDAGHIKHRVJH-NOZJJQNGSA-N 1 0 371.235 2.948 20 5 FFBDRO Cc1ccc([C@H](C)NC(=O)Nc2cnc3c(c2)C[NH2+]CC3)cc1[N+](=O)[O-] ZINC000591310734 519585883 /nfs/dbraw/zinc/58/58/83/519585883.db2.gz GSPPBFJHGWQNLF-LBPRGKRZSA-N 1 0 355.398 2.827 20 5 FFBDRO CCc1cc(N2CC[C@H]3CC[NH2+][C@@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000591439609 519624754 /nfs/dbraw/zinc/62/47/54/519624754.db2.gz XGUDYQBPIIUZHJ-CXAGYDPISA-N 1 0 353.426 2.802 20 5 FFBDRO Nc1cc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc(CO)c1[N+](=O)[O-] ZINC000612400281 519939679 /nfs/dbraw/zinc/93/96/79/519939679.db2.gz JBQQKEKPCWIDCP-HNNXBMFYSA-N 1 0 362.474 2.762 20 5 FFBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@H](c2ccncc2)C2(CO)CCC2)cc1 ZINC000602903329 519961231 /nfs/dbraw/zinc/96/12/31/519961231.db2.gz QQYASRJLAUUXBY-GOSISDBHSA-N 1 0 357.410 2.862 20 5 FFBDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599950381 519968538 /nfs/dbraw/zinc/96/85/38/519968538.db2.gz ZYLFXXCWNIAORB-JTQLQIEISA-N 1 0 358.236 2.816 20 5 FFBDRO CCC(C)(C)[NH+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C)CC1 ZINC000594472668 519983028 /nfs/dbraw/zinc/98/30/28/519983028.db2.gz JIZBRDFDTDZBSH-UHFFFAOYSA-N 1 0 358.446 2.701 20 5 FFBDRO CCC1([NH+](C)C)CCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000602967011 519999105 /nfs/dbraw/zinc/99/91/05/519999105.db2.gz ZVUDFDUVURZRFY-QGZVFWFLSA-N 1 0 360.458 2.506 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000594515083 520010203 /nfs/dbraw/zinc/01/02/03/520010203.db2.gz QARPSMMTPNMJAC-SOUVJXGZSA-N 1 0 351.447 2.581 20 5 FFBDRO C[NH+](C)CCOc1cnccc1CN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594518387 520012639 /nfs/dbraw/zinc/01/26/39/520012639.db2.gz HDGRNVIBPJZPFA-QGZVFWFLSA-N 1 0 356.426 2.707 20 5 FFBDRO CCOC(=O)C1CCC([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000591727533 520013041 /nfs/dbraw/zinc/01/30/41/520013041.db2.gz GNYXSAAVPPNCTN-UHFFFAOYSA-N 1 0 363.414 2.635 20 5 FFBDRO Cn1nnc2c1CC[C@H]([NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])C2 ZINC000594523553 520014251 /nfs/dbraw/zinc/01/42/51/520014251.db2.gz YVAQTWMGWVMHEU-CWRNSKLLSA-N 1 0 355.442 2.582 20 5 FFBDRO O=[N+]([O-])c1ccc(CN2CCOCC2)cc1N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594604058 520050458 /nfs/dbraw/zinc/05/04/58/520050458.db2.gz XRPKZDRUBPUBKI-MJGOQNOKSA-N 1 0 374.485 2.856 20 5 FFBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N1CCCN(c2cc[nH+]cc2)CC1 ZINC000603081383 520068094 /nfs/dbraw/zinc/06/80/94/520068094.db2.gz ACJJGYVVNAXEJR-UHFFFAOYSA-N 1 0 369.425 2.531 20 5 FFBDRO COc1cc(CNc2ccc([C@H]3C[NH2+]CCO3)cc2)c([N+](=O)[O-])cc1OC ZINC000594739896 520125023 /nfs/dbraw/zinc/12/50/23/520125023.db2.gz RLBKSOIGOYHKES-LJQANCHMSA-N 1 0 373.409 2.885 20 5 FFBDRO COc1cc(C(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)c([N+](=O)[O-])cc1F ZINC000600230353 520141121 /nfs/dbraw/zinc/14/11/21/520141121.db2.gz RQDZRKFJTWBGDY-CYBMUJFWSA-N 1 0 365.405 2.879 20 5 FFBDRO CC(C)[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000600252564 520159859 /nfs/dbraw/zinc/15/98/59/520159859.db2.gz JXSDGOWMIRRWRH-KRWDZBQOSA-N 1 0 356.426 2.906 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)cc1SC ZINC000609129270 520199266 /nfs/dbraw/zinc/19/92/66/520199266.db2.gz NIPQXMMHESOHIA-LBPRGKRZSA-N 1 0 367.471 2.785 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000609157511 520213955 /nfs/dbraw/zinc/21/39/55/520213955.db2.gz ZZEHTUJUMJMONH-MRXNPFEDSA-N 1 0 357.414 2.765 20 5 FFBDRO COc1ccc(C[N@@H+]2CC[C@H](C(=O)NCc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000592155559 520231805 /nfs/dbraw/zinc/23/18/05/520231805.db2.gz OYDKMAMPWPGLAC-KRWDZBQOSA-N 1 0 369.421 2.742 20 5 FFBDRO COc1ccc(N2C[C@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3C)CC2=O)cc1 ZINC000594966194 520232638 /nfs/dbraw/zinc/23/26/38/520232638.db2.gz PNQUPUSOUVRJJK-OAHLLOKOSA-N 1 0 355.394 2.807 20 5 FFBDRO O=[N+]([O-])c1ccc(OC(F)F)c(CNC2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000594994389 520248234 /nfs/dbraw/zinc/24/82/34/520248234.db2.gz UMPXEEXPMVLGKM-OAHLLOKOSA-N 1 0 371.384 2.539 20 5 FFBDRO COc1ccc(C[NH2+][C@H]2C[C@H](O)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000594998049 520249034 /nfs/dbraw/zinc/24/90/34/520249034.db2.gz FVQHDDFJZFTTRH-JCNLHEQBSA-N 1 0 358.394 2.795 20 5 FFBDRO Cc1cnn(CC2CC[NH+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)CC2)c1 ZINC000609276115 520253885 /nfs/dbraw/zinc/25/38/85/520253885.db2.gz XJPICEGLGHBEEQ-UHFFFAOYSA-N 1 0 372.425 2.878 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC3(CC=CC3)[C@H]2c2ccccc2)c1 ZINC000592188896 520255057 /nfs/dbraw/zinc/25/50/57/520255057.db2.gz UWPQXAWUOYXXKM-QZTJIDSGSA-N 1 0 354.410 2.546 20 5 FFBDRO CNC(=O)c1cccc(CC[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)c1 ZINC000595009852 520255128 /nfs/dbraw/zinc/25/51/28/520255128.db2.gz TXQDAOXQGQUTRS-CYBMUJFWSA-N 1 0 357.410 2.856 20 5 FFBDRO O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1NC[C@@H]1CSCC[NH2+]1 ZINC000603418557 520257470 /nfs/dbraw/zinc/25/74/70/520257470.db2.gz GBCXFAFBYRGIFY-SSDOTTSWSA-N 1 0 372.319 2.761 20 5 FFBDRO O=C(C[N@@H+]1CCCC[C@H]1C1CCC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000592197202 520257631 /nfs/dbraw/zinc/25/76/31/520257631.db2.gz CXISOZBJHVZZKZ-AWEZNQCLSA-N 1 0 361.398 2.917 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000595019414 520259312 /nfs/dbraw/zinc/25/93/12/520259312.db2.gz MYYFZKRIMLMQRS-OBJOEFQTSA-N 1 0 356.444 2.610 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCCNC(=O)c1cccc(O)c1 ZINC000595040874 520266564 /nfs/dbraw/zinc/26/65/64/520266564.db2.gz PGRLTYXLLIIVID-CYBMUJFWSA-N 1 0 373.409 2.780 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCC[C@H]2CN(C(C)=O)C[C@@H]21 ZINC000595046899 520267708 /nfs/dbraw/zinc/26/77/08/520267708.db2.gz CXHFOYVBTDUUCW-CSBKYJRVSA-N 1 0 361.442 2.901 20 5 FFBDRO CS(=O)(=O)CC1(CC[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000595061657 520273712 /nfs/dbraw/zinc/27/37/12/520273712.db2.gz UHIODFZJYAQKDD-MRXNPFEDSA-N 1 0 366.483 2.720 20 5 FFBDRO O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000600470131 520279031 /nfs/dbraw/zinc/27/90/31/520279031.db2.gz GDFKXORVNTUXQM-QGZVFWFLSA-N 1 0 369.425 2.527 20 5 FFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC1(O)CCC(F)(F)CC1 ZINC000595093288 520291796 /nfs/dbraw/zinc/29/17/96/520291796.db2.gz HNGWNMQMAXRRNM-LBPRGKRZSA-N 1 0 371.384 2.842 20 5 FFBDRO O=C(COc1cccc([N+](=O)[O-])c1)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000603565020 520309417 /nfs/dbraw/zinc/30/94/17/520309417.db2.gz DSNPLNLVGDXYSZ-KRWDZBQOSA-N 1 0 373.409 2.910 20 5 FFBDRO O=C(NCC1([NH+]2CCSCC2)CCCC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000609441174 520310260 /nfs/dbraw/zinc/31/02/60/520310260.db2.gz DSNOIUBPCDWYGE-UHFFFAOYSA-N 1 0 367.446 2.825 20 5 FFBDRO O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000595221302 520356749 /nfs/dbraw/zinc/35/67/49/520356749.db2.gz OJAPCSXRKNYOSH-HNNXBMFYSA-N 1 0 356.426 2.928 20 5 FFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000609583467 520366447 /nfs/dbraw/zinc/36/64/47/520366447.db2.gz KCIWJPMQFYGMCW-QWHCGFSZSA-N 1 0 351.472 2.922 20 5 FFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000613180810 520371104 /nfs/dbraw/zinc/37/11/04/520371104.db2.gz BXNQGFJMDGBDLC-OAHLLOKOSA-N 1 0 359.430 2.560 20 5 FFBDRO O=C(CCOc1ccccc1[N+](=O)[O-])Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000595256136 520374908 /nfs/dbraw/zinc/37/49/08/520374908.db2.gz BJFGBGJXZPZSHL-GOSISDBHSA-N 1 0 371.393 2.663 20 5 FFBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000595270959 520381222 /nfs/dbraw/zinc/38/12/22/520381222.db2.gz XYKFIRFVFXFJKW-QZTJIDSGSA-N 1 0 371.462 2.949 20 5 FFBDRO CCOc1cc(CN2CCN(C(=O)C3CC3)CC2(C)C)ccc1[N+](=O)[O-] ZINC000617219517 520381661 /nfs/dbraw/zinc/38/16/61/520381661.db2.gz HWNCBGCFBKKBAP-UHFFFAOYSA-N 1 0 361.442 2.826 20 5 FFBDRO COc1cc(CN(C)C2C[NH2+]C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000592435713 520389460 /nfs/dbraw/zinc/38/94/60/520389460.db2.gz WAEYCMRSQPTPSG-UHFFFAOYSA-N 1 0 357.410 2.586 20 5 FFBDRO CCN(C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)[C@H]1CC[N@H+](CC)C1 ZINC000598044152 520392688 /nfs/dbraw/zinc/39/26/88/520392688.db2.gz YPGRTEUXIGIMMU-KRWDZBQOSA-N 1 0 374.485 2.754 20 5 FFBDRO [NH3+]C[C@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[C@H]1C(F)(F)F ZINC000600726512 520426235 /nfs/dbraw/zinc/42/62/35/520426235.db2.gz LTBHPPCIMBTJON-GXSJLCMTSA-N 1 0 358.320 2.695 20 5 FFBDRO C[C@@H](c1ccccc1)[C@H](CO)[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000613390166 520480368 /nfs/dbraw/zinc/48/03/68/520480368.db2.gz ZMCICEADUJPEBX-GUYCJALGSA-N 1 0 368.393 2.899 20 5 FFBDRO CCOc1cc(NC(=O)N[C@@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])cc1OCC ZINC000604230119 520495169 /nfs/dbraw/zinc/49/51/69/520495169.db2.gz SVJBGNIQYHEGND-GFCCVEGCSA-N 1 0 366.418 2.608 20 5 FFBDRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000609984189 520495776 /nfs/dbraw/zinc/49/57/76/520495776.db2.gz QSZCKIZXORNEOA-SWLSCSKDSA-N 1 0 369.849 2.814 20 5 FFBDRO COc1cc(C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)c([N+](=O)[O-])cc1F ZINC000598218078 520499058 /nfs/dbraw/zinc/49/90/58/520499058.db2.gz FDIGBFSKJPNXAJ-GFCCVEGCSA-N 1 0 365.405 2.879 20 5 FFBDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000598261439 520525815 /nfs/dbraw/zinc/52/58/15/520525815.db2.gz FLULJWNVFZFRDO-HNNXBMFYSA-N 1 0 371.441 2.631 20 5 FFBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000604472371 520570882 /nfs/dbraw/zinc/57/08/82/520570882.db2.gz UZQNWGNAUNJTOD-MRXNPFEDSA-N 1 0 356.426 2.575 20 5 FFBDRO Cc1c(NC(=O)CC[N@@H+](C)[C@H](CO)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000595599810 520582286 /nfs/dbraw/zinc/58/22/86/520582286.db2.gz ZFTYVNPCFRWRCA-KRWDZBQOSA-N 1 0 371.437 2.767 20 5 FFBDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000610297749 520627973 /nfs/dbraw/zinc/62/79/73/520627973.db2.gz PUPUABSRTINNGV-HNNXBMFYSA-N 1 0 372.400 2.663 20 5 FFBDRO C[N@@H+]1C[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2F)[C@H](c2ccccc2)C1 ZINC000592881914 520631471 /nfs/dbraw/zinc/63/14/71/520631471.db2.gz PAEVFSOTCOUCKU-PBHICJAKSA-N 1 0 357.385 2.809 20 5 FFBDRO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000601147649 520659497 /nfs/dbraw/zinc/65/94/97/520659497.db2.gz VKKPBWDSLOPCIO-NSHDSACASA-N 1 0 361.368 2.802 20 5 FFBDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1c1ccnc2ccc([N+](=O)[O-])cc21 ZINC000601154310 520663952 /nfs/dbraw/zinc/66/39/52/520663952.db2.gz GKTYRAYOMXVWAU-CQSZACIVSA-N 1 0 356.426 2.833 20 5 FFBDRO Cc1sc(C(=O)N2CC3(CCCC3)OC[C@H]2C[NH+](C)C)cc1[N+](=O)[O-] ZINC000598536195 520687217 /nfs/dbraw/zinc/68/72/17/520687217.db2.gz OGTISDMJBABXNP-CYBMUJFWSA-N 1 0 367.471 2.680 20 5 FFBDRO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)c1cc([N+](=O)[O-])cn1C ZINC000610445705 520690944 /nfs/dbraw/zinc/69/09/44/520690944.db2.gz FGJYQWSHZOWKJA-HNNXBMFYSA-N 1 0 356.426 2.670 20 5 FFBDRO C[C@@H]1Cc2ccccc2N1C1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000610447536 520691188 /nfs/dbraw/zinc/69/11/88/520691188.db2.gz JLFUWJPVFBWVNR-OAHLLOKOSA-N 1 0 355.442 2.707 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)c1 ZINC000593026454 520691497 /nfs/dbraw/zinc/69/14/97/520691497.db2.gz BSAZKDCNKRHAJU-USXIJHARSA-N 1 0 360.410 2.819 20 5 FFBDRO CCOC(=O)c1ccnc(N2CCC(C)([NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC000601216301 520691671 /nfs/dbraw/zinc/69/16/71/520691671.db2.gz OQXLIMCJKHLKEX-UHFFFAOYSA-N 1 0 362.430 2.621 20 5 FFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000598557151 520702525 /nfs/dbraw/zinc/70/25/25/520702525.db2.gz BQRBWEPJVAPLNJ-HNNXBMFYSA-N 1 0 361.442 2.845 20 5 FFBDRO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000598557117 520703074 /nfs/dbraw/zinc/70/30/74/520703074.db2.gz AFMVKZUCBYHFPN-CYBMUJFWSA-N 1 0 367.396 2.654 20 5 FFBDRO COC(=O)c1ccnc(NC2CC[NH+](C3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000598599224 520736210 /nfs/dbraw/zinc/73/62/10/520736210.db2.gz AZRRKIMPSGOTPN-UHFFFAOYSA-N 1 0 362.430 2.985 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)C[C@@H]1C ZINC000598605294 520737091 /nfs/dbraw/zinc/73/70/91/520737091.db2.gz BDQYJAZNMZSWNV-DZGCQCFKSA-N 1 0 369.487 2.705 20 5 FFBDRO C[C@@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000610572580 520744925 /nfs/dbraw/zinc/74/49/25/520744925.db2.gz XNRIGWSGYKUQSC-SNVBAGLBSA-N 1 0 370.247 2.817 20 5 FFBDRO C[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C[C@H]1CCc2ccccc21 ZINC000595881544 520789413 /nfs/dbraw/zinc/78/94/13/520789413.db2.gz UAKQICNTEXQEFZ-IAGOWNOFSA-N 1 0 356.422 2.996 20 5 FFBDRO [NH3+]C[C@@H]1CCc2ccccc2N1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000595903257 520809989 /nfs/dbraw/zinc/80/99/89/520809989.db2.gz PJEHXVIKTCRDLX-KRWDZBQOSA-N 1 0 354.410 2.704 20 5 FFBDRO COc1ccc(OCCN2C[C@H]([NH3+])CCc3ccccc32)c([N+](=O)[O-])c1 ZINC000595904392 520812168 /nfs/dbraw/zinc/81/21/68/520812168.db2.gz XMPYTRHJFQGYRX-OAHLLOKOSA-N 1 0 357.410 2.762 20 5 FFBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000595907678 520812818 /nfs/dbraw/zinc/81/28/18/520812818.db2.gz CUNIGEZLBXIQDI-ZMYBRWDISA-N 1 0 359.426 2.814 20 5 FFBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000601549663 520835694 /nfs/dbraw/zinc/83/56/94/520835694.db2.gz AEYDQPWTRXEGGO-WCQYABFASA-N 1 0 369.874 2.941 20 5 FFBDRO O=C(NCC12CC(C1)C[NH2+]2)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000595949992 520835993 /nfs/dbraw/zinc/83/59/93/520835993.db2.gz IGHZSSSUIULIKT-UHFFFAOYSA-N 1 0 353.378 2.869 20 5 FFBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N[C@]3(C)CC[NH2+]C3)cc2[N+](=O)[O-])C1 ZINC000595993633 520847699 /nfs/dbraw/zinc/84/76/99/520847699.db2.gz ZDSAPRWWYMAHDX-BIENJYKASA-N 1 0 360.458 2.559 20 5 FFBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000610914482 520902548 /nfs/dbraw/zinc/90/25/48/520902548.db2.gz YVQCNLGJWWLHFZ-ZDUSSCGKSA-N 1 0 370.247 2.962 20 5 FFBDRO O=c1[nH]ccc(NCc2ccc(OCC[NH+]3CCCC3)cc2)c1[N+](=O)[O-] ZINC000596124684 520927053 /nfs/dbraw/zinc/92/70/53/520927053.db2.gz YACNUVCVNIJGKN-UHFFFAOYSA-N 1 0 358.398 2.782 20 5 FFBDRO COC(=O)c1c(Cl)c(N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000596137769 520934168 /nfs/dbraw/zinc/93/41/68/520934168.db2.gz WIOKWAQVWVFWCU-WDEREUQCSA-N 1 0 355.822 2.954 20 5 FFBDRO CC[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC[N@@H+]1Cc1ccccc1 ZINC000596191953 520962811 /nfs/dbraw/zinc/96/28/11/520962811.db2.gz IRPYGGLLVOOJOJ-MRXNPFEDSA-N 1 0 368.437 2.795 20 5 FFBDRO Cc1ccc(C[NH2+]CC2(OCCO)CCC(F)(F)CC2)cc1[N+](=O)[O-] ZINC000598992972 520966150 /nfs/dbraw/zinc/96/61/50/520966150.db2.gz FWVFODFYQFXMTF-UHFFFAOYSA-N 1 0 358.385 2.950 20 5 FFBDRO C[N@@H+]1CCCC[C@@H](CNC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000599004901 520974449 /nfs/dbraw/zinc/97/44/49/520974449.db2.gz VFTIQSGBJPZRPC-KRWDZBQOSA-N 1 0 362.474 2.949 20 5 FFBDRO COc1cc(C[NH2+]CC2COC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000599010499 520977669 /nfs/dbraw/zinc/97/76/69/520977669.db2.gz AFFMPYWZALHDAM-UHFFFAOYSA-N 1 0 358.394 2.918 20 5 FFBDRO CC(C)c1ccc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c(O)c(=O)c1 ZINC000596223535 520980080 /nfs/dbraw/zinc/98/00/80/520980080.db2.gz RXNIHYZWWJAJJA-UHFFFAOYSA-N 1 0 372.425 2.818 20 5 FFBDRO COC(=O)c1c(Cl)c(N2CC[N@@H+](C3CC3)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000596256094 520996598 /nfs/dbraw/zinc/99/65/98/520996598.db2.gz YUQLFHZKJFXRQJ-LLVKDONJSA-N 1 0 367.833 2.955 20 5 FFBDRO COc1ccc(C[N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cn1 ZINC000611140054 521006224 /nfs/dbraw/zinc/00/62/24/521006224.db2.gz QBOCRNXQVSWUSV-UHFFFAOYSA-N 1 0 358.398 2.767 20 5 FFBDRO C[C@@H]1CN(c2ccnc3cc([N+](=O)[O-])ccc32)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000593463959 521009252 /nfs/dbraw/zinc/00/92/52/521009252.db2.gz ALAQFNRJUXZWMV-DNVCBOLYSA-N 1 0 369.469 2.605 20 5 FFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1CCCN1CC(F)F ZINC000599066613 521010679 /nfs/dbraw/zinc/01/06/79/521010679.db2.gz SZQFGHJPAGNCGI-WFASDCNBSA-N 1 0 370.400 2.631 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@H]1CNc1ccc([N+](=O)[O-])c(N2CCOCC2)c1F ZINC000596309474 521020951 /nfs/dbraw/zinc/02/09/51/521020951.db2.gz SCQPTKQUJMMZDU-ZDUSSCGKSA-N 1 0 366.437 2.855 20 5 FFBDRO O=C(C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])Nc1ccc2c(c1)OCCO2 ZINC000599087280 521024329 /nfs/dbraw/zinc/02/43/29/521024329.db2.gz HWAMULHAWNXDPS-OAHLLOKOSA-N 1 0 369.377 2.582 20 5 FFBDRO Cc1cc(N2CC[NH+](CCCF)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000599093739 521030208 /nfs/dbraw/zinc/03/02/08/521030208.db2.gz RBJCSEOYGQMFCT-UHFFFAOYSA-N 1 0 359.405 2.842 20 5 FFBDRO O=[N+]([O-])c1cc(Br)ccc1N1CCC([NH+]2CCOCC2)CC1 ZINC000599104084 521032880 /nfs/dbraw/zinc/03/28/80/521032880.db2.gz MAFYRMGQOVUXBO-UHFFFAOYSA-N 1 0 370.247 2.658 20 5 FFBDRO O=[N+]([O-])c1cnc(N2CCO[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]32)c(F)c1 ZINC000593496991 521033856 /nfs/dbraw/zinc/03/38/56/521033856.db2.gz ZFLWGULRBAOVRR-MSOLQXFVSA-N 1 0 372.400 2.609 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CNc1cccc(C[NH+](C)C)c1 ZINC000601932156 521033944 /nfs/dbraw/zinc/03/39/44/521033944.db2.gz JYIVUPRFOUSRIS-UHFFFAOYSA-N 1 0 358.398 2.716 20 5 FFBDRO CC[N@H+](C[C@@H]1CCOC1)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000611205368 521037333 /nfs/dbraw/zinc/03/73/33/521037333.db2.gz YHHNUCXOBQGPBK-NEPJUHHUSA-N 1 0 355.822 2.934 20 5 FFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000601977187 521052465 /nfs/dbraw/zinc/05/24/65/521052465.db2.gz RZXZHMTZTGGZBX-OLZOCXBDSA-N 1 0 351.472 2.970 20 5 FFBDRO CC1([NH+]2CCOCC2)CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000599160624 521062755 /nfs/dbraw/zinc/06/27/55/521062755.db2.gz PBXBIFOAFLEWAA-UHFFFAOYSA-N 1 0 356.426 2.834 20 5 FFBDRO C[N@@H+]1CC[C@H](NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000593559783 521076522 /nfs/dbraw/zinc/07/65/22/521076522.db2.gz NMFMADGXWJCLPV-QFBILLFUSA-N 1 0 357.385 2.838 20 5 FFBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]CCSCC(F)(F)F)OCCO2 ZINC000611278650 521077170 /nfs/dbraw/zinc/07/71/70/521077170.db2.gz RSXNEHUINIAEFH-UHFFFAOYSA-N 1 0 352.334 2.751 20 5 FFBDRO Cc1cc(NC[C@@H]2CC(=O)N(C(C)(C)C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000596518795 521112745 /nfs/dbraw/zinc/11/27/45/521112745.db2.gz FNKXMMMNBHPJGI-ZDUSSCGKSA-N 1 0 356.426 2.932 20 5 FFBDRO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(c2ccsc2[N+](=O)[O-])CC1 ZINC000611370302 521123388 /nfs/dbraw/zinc/12/33/88/521123388.db2.gz QLDZKIKCMYLSSK-UHFFFAOYSA-N 1 0 368.503 2.577 20 5 FFBDRO C[NH+](C)CCC[C@@H]1CN(c2ccc(Br)cc2[N+](=O)[O-])CCO1 ZINC000596566280 521135396 /nfs/dbraw/zinc/13/53/96/521135396.db2.gz IFDFQSSTSBYREB-CYBMUJFWSA-N 1 0 372.263 2.904 20 5 FFBDRO CC(C)[NH2+][C@H]1CCCN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000611524225 521201791 /nfs/dbraw/zinc/20/17/91/521201791.db2.gz HTJIWDBSQQOIMG-HNNXBMFYSA-N 1 0 368.865 2.963 20 5 FFBDRO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)c1csc(-c3cccc([N+](=O)[O-])c3)n1)C2 ZINC000593911980 521287445 /nfs/dbraw/zinc/28/74/45/521287445.db2.gz LCARYFVFCPHZDM-UGSOOPFHSA-N 1 0 372.450 2.919 20 5 FFBDRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)C2)C1 ZINC000593913175 521287657 /nfs/dbraw/zinc/28/76/57/521287657.db2.gz RYJHIVJIFIXIJW-XHBSWPGZSA-N 1 0 367.833 2.607 20 5 FFBDRO CCOc1cc(C(=O)N2CCC[C@@H](C)[C@H]2CC[NH3+])c([N+](=O)[O-])cc1OC ZINC000593933946 521298891 /nfs/dbraw/zinc/29/88/91/521298891.db2.gz GYWXYOQZKMTZHY-TZMCWYRMSA-N 1 0 365.430 2.592 20 5 FFBDRO Cc1c(NC(=O)N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cccc1[N+](=O)[O-] ZINC000599594280 521316516 /nfs/dbraw/zinc/31/65/16/521316516.db2.gz JKWYEIYMINOVAT-OAHLLOKOSA-N 1 0 362.430 2.526 20 5 FFBDRO O=[N+]([O-])c1ccc(CN2CCC[N@H+](C[C@H]3CCCO3)CC2)c(Cl)c1 ZINC000611773138 521323482 /nfs/dbraw/zinc/32/34/82/521323482.db2.gz AYPPADNGKAYICO-MRXNPFEDSA-N 1 0 353.850 2.935 20 5 FFBDRO CC1(C)C(=O)N[C@@H]1C1CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000593993373 521335120 /nfs/dbraw/zinc/33/51/20/521335120.db2.gz OJPRUKRWKRUBCA-QGZVFWFLSA-N 1 0 361.442 2.600 20 5 FFBDRO CCC(C)(C)[NH+]1CCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000594021290 521354127 /nfs/dbraw/zinc/35/41/27/521354127.db2.gz SDDNQIIXAFTEGT-QGZVFWFLSA-N 1 0 360.458 2.506 20 5 FFBDRO CCC1([NH+]2CCOCC2)CCN(Cc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000599665440 521377177 /nfs/dbraw/zinc/37/71/77/521377177.db2.gz VMDYFRIDEIQFRP-UHFFFAOYSA-N 1 0 363.458 2.680 20 5 FFBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@@H](CCO)c2cc(Cl)cc(Cl)c2)n1 ZINC000599665273 521377592 /nfs/dbraw/zinc/37/75/92/521377592.db2.gz IHDORWCRXYUVEF-ZDUSSCGKSA-N 1 0 359.213 2.811 20 5 FFBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]C[C@@H]3CCN(CC(F)(F)F)C3)nc2c1 ZINC000602521319 521392039 /nfs/dbraw/zinc/39/20/39/521392039.db2.gz PESCAXJYKBSAPM-JTQLQIEISA-N 1 0 358.320 2.710 20 5 FFBDRO COc1ccc([C@@H]([NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C2CC2)cn1 ZINC000599702628 521413977 /nfs/dbraw/zinc/41/39/77/521413977.db2.gz XIPUVSXORKRONW-IBGZPJMESA-N 1 0 370.409 2.702 20 5 FFBDRO C[N@@H+]1C[C@H](C(=O)NCCc2cccc([N+](=O)[O-])c2)[C@@H](c2ccccc2)C1 ZINC000599718968 521426075 /nfs/dbraw/zinc/42/60/75/521426075.db2.gz XHMFAFNWSXVUPG-MOPGFXCFSA-N 1 0 353.422 2.599 20 5 FFBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000602600328 521433071 /nfs/dbraw/zinc/43/30/71/521433071.db2.gz VQLXVACPLZOCDN-HOMQSWHASA-N 1 0 356.220 2.605 20 5 FFBDRO O=C(N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1cc([N+](=O)[O-])c[nH]1 ZINC000612037586 521449736 /nfs/dbraw/zinc/44/97/36/521449736.db2.gz HMOZFFKUWDQFSD-RYQLBKOJSA-N 1 0 368.437 2.953 20 5 FFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594198136 521464287 /nfs/dbraw/zinc/46/42/87/521464287.db2.gz SJRNZFFUGYKQCH-CVEARBPZSA-N 1 0 351.834 2.924 20 5 FFBDRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000594200281 521466033 /nfs/dbraw/zinc/46/60/33/521466033.db2.gz KMSQHOWGEBEMOB-CVEARBPZSA-N 1 0 369.425 2.527 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]Cc3noc4c3CCCC4)CC2)cn1 ZINC000602663138 521466819 /nfs/dbraw/zinc/46/68/19/521466819.db2.gz JDFPTJIFUSOASJ-UHFFFAOYSA-N 1 0 357.414 2.615 20 5 FFBDRO O=[N+]([O-])c1sc(C[NH2+][C@H]2CCN(CC(F)F)C2)cc1Br ZINC000602698078 521484155 /nfs/dbraw/zinc/48/41/55/521484155.db2.gz XGYFPRYFFQMTQS-ZETCQYMHSA-N 1 0 370.219 2.848 20 5 FFBDRO COC[C@@H](CC[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)OC ZINC000602706517 521487071 /nfs/dbraw/zinc/48/70/71/521487071.db2.gz PCRLMYZCZSRQKZ-MRVPVSSYSA-N 1 0 353.238 2.560 20 5 FFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1CNC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000602717880 521493475 /nfs/dbraw/zinc/49/34/75/521493475.db2.gz JPIOXBWLOMFLQG-HNNXBMFYSA-N 1 0 373.375 2.957 20 5 FFBDRO CC(C)(C[NH+]1CCCC1)NC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597089859 521496474 /nfs/dbraw/zinc/49/64/74/521496474.db2.gz DWSGJDSGWOHFIF-UHFFFAOYSA-N 1 0 355.826 2.826 20 5 FFBDRO Cc1nccn1CCCNC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597092442 521497716 /nfs/dbraw/zinc/49/77/16/521497716.db2.gz LJHAYUZQZLBGQC-UHFFFAOYSA-N 1 0 352.782 2.547 20 5 FFBDRO COc1ccc([C@@H]2CCC[N@@H+]2CCn2c(C)ncc2[N+](=O)[O-])cc1OC ZINC000602760341 521517371 /nfs/dbraw/zinc/51/73/71/521517371.db2.gz QLTIWHVPEJMOSA-HNNXBMFYSA-N 1 0 360.414 2.954 20 5 FFBDRO COc1cc(C[N@H+](C)CCn2c(C)ncc2[N+](=O)[O-])ccc1SC ZINC000602766351 521521713 /nfs/dbraw/zinc/52/17/13/521521713.db2.gz QVUVTHAXIFZRAB-UHFFFAOYSA-N 1 0 350.444 2.962 20 5 FFBDRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)Cc3cn(C)nc3[N+](=O)[O-])C2)s1 ZINC000602825564 521554996 /nfs/dbraw/zinc/55/49/96/521554996.db2.gz HAOARZIRQATBRO-CQSZACIVSA-N 1 0 363.487 2.652 20 5 FFBDRO C[NH+](C)CCc1ccc(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000594346138 521569619 /nfs/dbraw/zinc/56/96/19/521569619.db2.gz FQJYYAHDSSITGA-UHFFFAOYSA-N 1 0 367.409 2.505 20 5 FFBDRO CCC[N@@H+]1CC[C@H](NCc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C1 ZINC000597222722 521583219 /nfs/dbraw/zinc/58/32/19/521583219.db2.gz GFRAWSYMEMXMGA-ZDUSSCGKSA-N 1 0 373.400 2.821 20 5 FFBDRO Cc1cc(OCC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)ccc1[N+](=O)[O-] ZINC000619537114 521756976 /nfs/dbraw/zinc/75/69/76/521756976.db2.gz VKGVQBQTUPSNBJ-KXBFYZLASA-N 1 0 373.453 2.757 20 5 FFBDRO CC[C@@H]1CN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C[C@H](C)[NH2+]1 ZINC000620905789 522505867 /nfs/dbraw/zinc/50/58/67/522505867.db2.gz BMGPFQUSIRLQRA-JKSUJKDBSA-N 1 0 363.461 2.754 20 5 FFBDRO O=[N+]([O-])c1cnc(NCCCCCCC[NH+]2CCCC2)c(-c2nn[nH]n2)c1 ZINC000738373691 598500241 /nfs/dbraw/zinc/50/02/41/598500241.db2.gz FRPIIQSCYQXCRL-UHFFFAOYSA-N 1 0 374.449 2.628 20 5 FFBDRO C[C@H]([NH2+]CCOc1ccc(-c2nn[nH]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000820420568 599694146 /nfs/dbraw/zinc/69/41/46/599694146.db2.gz SZQMWZHLOVZQIK-LBPRGKRZSA-N 1 0 354.370 2.505 20 5 FFBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824607255 609145637 /nfs/dbraw/zinc/14/56/37/609145637.db2.gz WOOJIFKZXIKALJ-LLVKDONJSA-N 1 0 356.361 2.807 20 5 FFBDRO C[C@H](Nc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824648956 609314293 /nfs/dbraw/zinc/31/42/93/609314293.db2.gz JZBURIHZBFYHHJ-JSGCOSHPSA-N 1 0 371.445 2.840 20 5 FFBDRO Cc1ncc([N+](=O)[O-])c(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC001164626788 719073881 /nfs/dbraw/zinc/07/38/81/719073881.db2.gz PIORDQWIKYETBD-FUHWJXTLSA-N 1 0 353.426 2.794 20 5 FFBDRO [NH3+]C1([C@H]2CN(C(F)(F)c3cnc(Cl)c([N+](=O)[O-])c3)C[C@H]2CF)CC1 ZINC001164629938 719115423 /nfs/dbraw/zinc/11/54/23/719115423.db2.gz UKKXDYOMMUYMAC-SCZZXKLOSA-N 1 0 364.755 2.701 20 5 FFBDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(C)cc(C)c1[N+](=O)[O-])C2 ZINC001164807452 720125844 /nfs/dbraw/zinc/12/58/44/720125844.db2.gz CLLNUJRNILCXSS-FXAWDEMLSA-N 1 0 374.485 2.791 20 5 FFBDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncc([N+](=O)[O-])c(C)c1C)C2 ZINC001164811783 720126113 /nfs/dbraw/zinc/12/61/13/720126113.db2.gz NJYZLIAPHYSQRG-FXAWDEMLSA-N 1 0 374.485 2.791 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)nc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)c1 ZINC001164724902 720332489 /nfs/dbraw/zinc/33/24/89/720332489.db2.gz LOYQWGLQOKCXDV-CABCVRRESA-N 1 0 359.817 2.891 20 5 FFBDRO O=[N+]([O-])c1cc(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)nc2[nH]ccc21 ZINC001164732948 720412619 /nfs/dbraw/zinc/41/26/19/720412619.db2.gz OWDBUASTGOEGRH-HZPDHXFCSA-N 1 0 364.409 2.719 20 5 FFBDRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2ccc3cccc([N+](=O)[O-])c3n2)C1 ZINC001164731233 720513717 /nfs/dbraw/zinc/51/37/17/720513717.db2.gz VDOYKOFCEDELDZ-AWEZNQCLSA-N 1 0 366.425 2.538 20 5 FFBDRO COC(=O)c1ccnc(N2CCCC[C@H]2CC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC001165048232 721971938 /nfs/dbraw/zinc/97/19/38/721971938.db2.gz MZRSDBQBBWVMPU-AWEZNQCLSA-N 1 0 362.430 2.621 20 5 FFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCOC1CCSCC1 ZINC000898440106 735361250 /nfs/dbraw/zinc/36/12/50/735361250.db2.gz NPXXIEZAWGDJQT-ZDUSSCGKSA-N 1 0 367.471 2.814 20 5 FFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCc3ncc(Br)n3C2)c(F)c1 ZINC000898722865 735399545 /nfs/dbraw/zinc/39/95/45/735399545.db2.gz ADXJLQDQHOCARA-SNVBAGLBSA-N 1 0 369.194 2.798 20 5 FFBDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000746565014 735494472 /nfs/dbraw/zinc/49/44/72/735494472.db2.gz BFRUBFDCNIFNQT-CQSZACIVSA-N 1 0 369.849 2.821 20 5 FFBDRO COc1cc(C[NH2+]C[C@H](O)c2ccc(Cl)cc2)c([N+](=O)[O-])cc1O ZINC000101590490 728486976 /nfs/dbraw/zinc/48/69/76/728486976.db2.gz SVUJWIHRUDLPSI-HNNXBMFYSA-N 1 0 352.774 2.786 20 5 FFBDRO CCO[C@@H]1C[C@@H](N(C)Cn2cc(Br)c([N+](=O)[O-])n2)C12CCC2 ZINC000127157732 728705563 /nfs/dbraw/zinc/70/55/63/728705563.db2.gz HTVZKNMNEJJILR-VXGBXAGGSA-N 1 0 373.251 2.791 20 5 FFBDRO C[NH+](C)CCN(C1CCCCC1)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000152195976 728749552 /nfs/dbraw/zinc/74/95/52/728749552.db2.gz SHCGNOCQLALNSO-UHFFFAOYSA-N 1 0 373.450 2.619 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000178856939 729171635 /nfs/dbraw/zinc/17/16/35/729171635.db2.gz FZRFFJOGRKUXOG-CYBMUJFWSA-N 1 0 351.403 2.702 20 5 FFBDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000236746251 729555214 /nfs/dbraw/zinc/55/52/14/729555214.db2.gz KZHDESJWSPFSET-AWEZNQCLSA-N 1 0 372.263 2.732 20 5 FFBDRO CC[NH+](CC)[C@@H]1CCN([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000245430785 729569994 /nfs/dbraw/zinc/56/99/94/729569994.db2.gz AICDPUXXUUTMRU-TZMCWYRMSA-N 1 0 368.865 2.991 20 5 FFBDRO C[N@@H+]1CCCC[C@@H](CNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000862792604 730726694 /nfs/dbraw/zinc/72/66/94/730726694.db2.gz AVLPGRVYVCIFOI-NSHDSACASA-N 1 0 357.813 2.778 20 5 FFBDRO CC1([NH+]2CCOCC2)CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000862960191 730737813 /nfs/dbraw/zinc/73/78/13/730737813.db2.gz IVSOHYLSMSZKQH-UHFFFAOYSA-N 1 0 367.833 2.575 20 5 FFBDRO CC1([NH+]2CCOCC2)CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000863939494 730817010 /nfs/dbraw/zinc/81/70/10/730817010.db2.gz AXHYAERALYZZRL-UHFFFAOYSA-N 1 0 367.833 2.575 20 5 FFBDRO O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)NCC[NH+]1CCCCC1 ZINC000864879337 730887955 /nfs/dbraw/zinc/88/79/55/730887955.db2.gz IXRBCIBZMXSOTL-UHFFFAOYSA-N 1 0 370.247 2.502 20 5 FFBDRO Cc1cc(N2CCC([NH+]3CCN(C)CC3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000866213904 731041189 /nfs/dbraw/zinc/04/11/89/731041189.db2.gz CASPGBLZWQFRFF-UHFFFAOYSA-N 1 0 352.866 2.773 20 5 FFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C1CCN([C@H]2CCOC2)CC1 ZINC000866393735 731054734 /nfs/dbraw/zinc/05/47/34/731054734.db2.gz QESMVWSQBXULHW-DYVFJYSZSA-N 1 0 351.422 2.508 20 5 FFBDRO CCN(CCC[NH+](C)C)C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000867699561 731214466 /nfs/dbraw/zinc/21/44/66/731214466.db2.gz XYRWEQSHNMERPH-UHFFFAOYSA-N 1 0 372.263 2.700 20 5 FFBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H]1CCCCS1(=O)=O ZINC000872059661 731725088 /nfs/dbraw/zinc/72/50/88/731725088.db2.gz HCOAQSQBJOHHED-YPMHNXCESA-N 1 0 358.485 2.935 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000872121437 731732007 /nfs/dbraw/zinc/73/20/07/731732007.db2.gz ZZIRLKZXNKVKNB-WYQXTGKHSA-N 1 0 352.456 2.910 20 5 FFBDRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000874839387 732106291 /nfs/dbraw/zinc/10/62/91/732106291.db2.gz VUGGBBUYMZQSCG-ZIAGYGMSSA-N 1 0 368.231 2.666 20 5 FFBDRO C[NH+](C)CCOc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)ccn1 ZINC000875680453 732180053 /nfs/dbraw/zinc/18/00/53/732180053.db2.gz XBVQSWYVYLRHNC-UHFFFAOYSA-N 1 0 364.789 2.836 20 5 FFBDRO CC(C)C[N@@H+](Cc1cn(C)nc1[N+](=O)[O-])C[C@H](O)c1ccc(F)cc1 ZINC000876744943 732275604 /nfs/dbraw/zinc/27/56/04/732275604.db2.gz HVFYMWREBIMJRP-INIZCTEOSA-N 1 0 350.394 2.659 20 5 FFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@H](O)c3c(F)cccc3Cl)C2)c1 ZINC000877057373 732319003 /nfs/dbraw/zinc/31/90/03/732319003.db2.gz BNMOBEIAMLPPGB-FDZGAKKTSA-N 1 0 354.769 2.611 20 5 FFBDRO C[C@@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)[C@@H](O)c1c(F)cccc1Cl ZINC000877069027 732320923 /nfs/dbraw/zinc/32/09/23/732320923.db2.gz VZWGGCHTNFDPBN-ZQIICXBQSA-N 1 0 368.796 2.999 20 5 FFBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000877246510 732336514 /nfs/dbraw/zinc/33/65/14/732336514.db2.gz HSXUMAUMBKPSJK-UBSAEIQESA-N 1 0 367.833 2.664 20 5 FFBDRO C[C@](CO)([NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000879272209 732676356 /nfs/dbraw/zinc/67/63/56/732676356.db2.gz MIMPZEQAGBABPZ-IAGOWNOFSA-N 1 0 368.792 2.918 20 5 FFBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@@H]3CSC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000879560974 732723271 /nfs/dbraw/zinc/72/32/71/732723271.db2.gz JSVSCEVMOKQDBT-OLZOCXBDSA-N 1 0 365.455 2.617 20 5 FFBDRO CC[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCCOC1 ZINC000880470274 732912030 /nfs/dbraw/zinc/91/20/30/732912030.db2.gz ZGGLQVDKBOJKPR-BXUZGUMPSA-N 1 0 355.822 2.982 20 5 FFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1CCC2(CCOCC2)O1 ZINC000927013248 738681618 /nfs/dbraw/zinc/68/16/18/738681618.db2.gz DAADNBCSOIQDDF-BBRMVZONSA-N 1 0 352.406 2.983 20 5 FFBDRO C[C@@H]([NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])C(C)(C)n1cncn1 ZINC000883294668 733361532 /nfs/dbraw/zinc/36/15/32/733361532.db2.gz GWNPXYAMOSMCOL-SNVBAGLBSA-N 1 0 368.235 2.862 20 5 FFBDRO CC1(C)C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C(C)(C)CO1 ZINC000782497330 738727503 /nfs/dbraw/zinc/72/75/03/738727503.db2.gz CXFTVTFQFRDACQ-UHFFFAOYSA-N 1 0 353.394 2.952 20 5 FFBDRO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886200345 733759166 /nfs/dbraw/zinc/75/91/66/733759166.db2.gz IDJMJDIVDSTCLS-TZMCWYRMSA-N 1 0 350.419 2.725 20 5 FFBDRO COC(=O)[C@H]1CC[C@@H]([NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000886651995 733813052 /nfs/dbraw/zinc/81/30/52/733813052.db2.gz WPYIJRXKAQZDBZ-JOYOIKCWSA-N 1 0 357.204 2.789 20 5 FFBDRO O=C(CN1CCCC[C@@]2(CC[NH2+]C2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000886865348 733850941 /nfs/dbraw/zinc/85/09/41/733850941.db2.gz HWPCFGSJCACLOX-KRWDZBQOSA-N 1 0 366.849 2.652 20 5 FFBDRO CCOc1cc(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000888834675 734103786 /nfs/dbraw/zinc/10/37/86/734103786.db2.gz NIEWIYQRLGJVBB-OCCSQVGLSA-N 1 0 350.419 2.940 20 5 FFBDRO CCOC(=O)N(C)C1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000726972585 734457346 /nfs/dbraw/zinc/45/73/46/734457346.db2.gz LYAVRCDULKIQEC-UHFFFAOYSA-N 1 0 351.403 2.526 20 5 FFBDRO C[C@H](C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12)c1ccc([N+](=O)[O-])cc1F ZINC000928092559 738820378 /nfs/dbraw/zinc/82/03/78/738820378.db2.gz SZWPUUGGPHAJCN-KNXALSJPSA-N 1 0 367.446 2.533 20 5 FFBDRO COc1c(O)ccc(C[NH2+]C[C@@H](c2ccsc2)N(C)C)c1[N+](=O)[O-] ZINC000892507807 734567582 /nfs/dbraw/zinc/56/75/82/734567582.db2.gz CGAVTDTVDGPGKO-ZDUSSCGKSA-N 1 0 351.428 2.763 20 5 FFBDRO COc1c(O)ccc(C[NH2+]C[C@@H](c2cccs2)N(C)C)c1[N+](=O)[O-] ZINC000893321377 734686403 /nfs/dbraw/zinc/68/64/03/734686403.db2.gz BDWAGLUPVBLQOF-LBPRGKRZSA-N 1 0 351.428 2.763 20 5 FFBDRO C[C@H]1CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CCN1c1cc[nH+]cc1 ZINC000893447232 734703162 /nfs/dbraw/zinc/70/31/62/734703162.db2.gz FTUJTAGDNMLHPC-LBPRGKRZSA-N 1 0 360.801 2.994 20 5 FFBDRO O=[N+]([O-])c1ccc(Cl)c(CN2CCC[N@H+](C[C@@H]3CCCO3)CC2)c1 ZINC000735562389 734950713 /nfs/dbraw/zinc/95/07/13/734950713.db2.gz KAXXXJXZPNQELV-INIZCTEOSA-N 1 0 353.850 2.935 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]CC1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000895933607 735076030 /nfs/dbraw/zinc/07/60/30/735076030.db2.gz JNHBWRWWTKVVDY-FTNCPSPGSA-N 1 0 358.847 2.694 20 5 FFBDRO COc1ccc(F)cc1CC[NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000896053212 735094951 /nfs/dbraw/zinc/09/49/51/735094951.db2.gz WRWXATBGHCDKCA-UHFFFAOYSA-N 1 0 350.346 2.789 20 5 FFBDRO CC[C@@H](C(=O)OCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[NH+](CC)CC ZINC000741032834 735111775 /nfs/dbraw/zinc/11/17/75/735111775.db2.gz NWDIIHSKNHKIFK-ZDUSSCGKSA-N 1 0 371.821 2.850 20 5 FFBDRO O=[N+]([O-])c1ccc(NC[C@H]2CC[N@@H+]2C2CCOCC2)cc1OC(F)F ZINC000896520511 735171925 /nfs/dbraw/zinc/17/19/25/735171925.db2.gz DADGEHSMCNFLGV-CYBMUJFWSA-N 1 0 357.357 2.861 20 5 FFBDRO O=[N+]([O-])c1c(N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)cccc1C(F)(F)F ZINC000897216012 735207100 /nfs/dbraw/zinc/20/71/00/735207100.db2.gz GRBYLLJFFFBNES-CHWSQXEVSA-N 1 0 359.348 2.649 20 5 FFBDRO O=[N+]([O-])c1cccc(C[NH2+]CC2(OCCO)CCC(C(F)F)CC2)c1 ZINC000897539489 735244260 /nfs/dbraw/zinc/24/42/60/735244260.db2.gz FBICAMGCYHOZBS-UHFFFAOYSA-N 1 0 358.385 2.887 20 5 FFBDRO C[C@@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)N1CCc2sccc2C1 ZINC000749674367 735737500 /nfs/dbraw/zinc/73/75/00/735737500.db2.gz WYIKVPUZHAZKJM-GUYCJALGSA-N 1 0 361.467 2.726 20 5 FFBDRO CS[C@@H]1CN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C[C@H]1[NH+](C)C ZINC000901230435 735759078 /nfs/dbraw/zinc/75/90/78/735759078.db2.gz PMBDAKDRSIOKIQ-VXGBXAGGSA-N 1 0 361.826 2.505 20 5 FFBDRO CC[N@@H+]1CCC[C@H]1CNC(=S)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000751916525 735934358 /nfs/dbraw/zinc/93/43/58/735934358.db2.gz BHDWIZRWTDJDHL-HNNXBMFYSA-N 1 0 350.488 2.778 20 5 FFBDRO COc1cc([C@@H](C)[NH2+][C@H]2CCOC3(CCOCC3)C2)cc([N+](=O)[O-])c1 ZINC000903125705 736037036 /nfs/dbraw/zinc/03/70/36/736037036.db2.gz NVRDKVYGKWCROD-HIFRSBDPSA-N 1 0 350.415 2.982 20 5 FFBDRO COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000903450814 736096303 /nfs/dbraw/zinc/09/63/03/736096303.db2.gz OCNLUFMHIYPIPI-LXTVHRRPSA-N 1 0 350.419 2.596 20 5 FFBDRO C[C@H]1C[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CC[N@@H+]1C ZINC000755012020 736226627 /nfs/dbraw/zinc/22/66/27/736226627.db2.gz CNLUUOPLFUWDBX-WPRPVWTQSA-N 1 0 374.210 2.709 20 5 FFBDRO CC[N@H+](CCNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)CCC(F)(F)F ZINC000757619443 736414099 /nfs/dbraw/zinc/41/40/99/736414099.db2.gz WMWLIDZHZFTCJQ-YVMONPNESA-N 1 0 359.348 2.999 20 5 FFBDRO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000906362172 736490740 /nfs/dbraw/zinc/49/07/40/736490740.db2.gz QCDJGCBPDANYJY-LBPRGKRZSA-N 1 0 351.834 2.781 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000906781218 736543115 /nfs/dbraw/zinc/54/31/15/736543115.db2.gz RKTUBTGYCGCLJC-CMPLNLGQSA-N 1 0 354.838 2.775 20 5 FFBDRO Cc1cc(Cl)c(C(=O)N2CCC(CO)([NH2+]C(C)C)CC2)cc1[N+](=O)[O-] ZINC000908606853 736801604 /nfs/dbraw/zinc/80/16/04/736801604.db2.gz RMTFXSGLDOIBLJ-UHFFFAOYSA-N 1 0 369.849 2.522 20 5 FFBDRO O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000765203342 737095737 /nfs/dbraw/zinc/09/57/37/737095737.db2.gz CAYBWGUBQJUMGP-OAHLLOKOSA-N 1 0 353.369 2.820 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])c(NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1Cl ZINC000765470277 737121536 /nfs/dbraw/zinc/12/15/36/737121536.db2.gz YBDDUFJYLRGVBD-JTQLQIEISA-N 1 0 353.806 2.931 20 5 FFBDRO [NH3+]CCCOC1CCN(C(=O)CCc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000911875215 737240397 /nfs/dbraw/zinc/24/03/97/737240397.db2.gz LVZFGYOCOIGBOV-UHFFFAOYSA-N 1 0 369.849 2.537 20 5 FFBDRO CC(C)OC(=O)C[C@H]1CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000766910787 737274499 /nfs/dbraw/zinc/27/44/99/737274499.db2.gz RQFTZLKLWFMXRN-RHSMWYFYSA-N 1 0 350.415 2.682 20 5 FFBDRO CC(C)c1n[nH]c(C(=O)N2[C@H](C)CCC[C@@H]2CC[NH+](C)C)c1[N+](=O)[O-] ZINC000912650112 737327679 /nfs/dbraw/zinc/32/76/79/737327679.db2.gz IENIDKPWAODAPC-CHWSQXEVSA-N 1 0 351.451 2.776 20 5 FFBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCCN(C(=O)OC)C2)cc1[N+](=O)[O-] ZINC000768100919 737397862 /nfs/dbraw/zinc/39/78/62/737397862.db2.gz GCCFGXFNHAXKBF-GXTWGEPZSA-N 1 0 351.403 2.875 20 5 FFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCCN1CCOC1=O ZINC000768101530 737398111 /nfs/dbraw/zinc/39/81/11/737398111.db2.gz IANPDHQFNWOANK-CYBMUJFWSA-N 1 0 353.444 2.897 20 5 FFBDRO CC[N@@H+]1CCC[C@@H]1CNC(=S)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000768479264 737425449 /nfs/dbraw/zinc/42/54/49/737425449.db2.gz KGTYJMKTATXBNF-QGZVFWFLSA-N 1 0 362.499 2.918 20 5 FFBDRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC000913813843 737452334 /nfs/dbraw/zinc/45/23/34/737452334.db2.gz HUFFSBSOGDVGMF-HZPDHXFCSA-N 1 0 351.834 2.876 20 5 FFBDRO O=[N+]([O-])c1cccc(Br)c1CN1CC[NH+](CC2CC2)CC1 ZINC000768773000 737456374 /nfs/dbraw/zinc/45/63/74/737456374.db2.gz ORDPVCVGDMLEQO-UHFFFAOYSA-N 1 0 354.248 2.885 20 5 FFBDRO CCCC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768837171 737464272 /nfs/dbraw/zinc/46/42/72/737464272.db2.gz YUJMGWAUTYWPGN-GFCCVEGCSA-N 1 0 361.489 2.589 20 5 FFBDRO C[C@H](NC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)c1cccc([N+](=O)[O-])c1 ZINC000914240140 737536708 /nfs/dbraw/zinc/53/67/08/737536708.db2.gz ZMEQQCZUFHMMIA-APHBMKBZSA-N 1 0 364.471 2.535 20 5 FFBDRO CC[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000771756896 737752454 /nfs/dbraw/zinc/75/24/54/737752454.db2.gz SSPSDQGZUZGQHQ-CYBMUJFWSA-N 1 0 373.450 2.585 20 5 FFBDRO C[NH+]1CCC(CC(=O)NCc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000919117484 737840925 /nfs/dbraw/zinc/84/09/25/737840925.db2.gz DWCURZRMKUCXNS-UHFFFAOYSA-N 1 0 370.247 2.705 20 5 FFBDRO COc1cc(C[NH2+]C[C@@H]2CC[C@@H](C(F)(F)F)O2)c([N+](=O)[O-])cc1OC ZINC000922461232 738149008 /nfs/dbraw/zinc/14/90/08/738149008.db2.gz KJMSYBJWUBWGSK-HZMBPMFUSA-N 1 0 364.320 2.812 20 5 FFBDRO CS(=O)(=O)c1ccccc1CC[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000922676292 738182723 /nfs/dbraw/zinc/18/27/23/738182723.db2.gz FYRARNRLTZXADF-UHFFFAOYSA-N 1 0 368.842 2.984 20 5 FFBDRO CCO[C@@H](CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)C[NH+](C)C ZINC000922757132 738196747 /nfs/dbraw/zinc/19/67/47/738196747.db2.gz RGQVGSQAUWMFPF-INIZCTEOSA-N 1 0 364.471 2.775 20 5 FFBDRO COC(=O)c1cnc(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000922832862 738206732 /nfs/dbraw/zinc/20/67/32/738206732.db2.gz HTLDVOPUQCTLMK-UHFFFAOYSA-N 1 0 355.803 2.824 20 5 FFBDRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000778243585 738366649 /nfs/dbraw/zinc/36/66/49/738366649.db2.gz JVZNLQYKYAOVHA-NSHDSACASA-N 1 0 365.459 2.840 20 5 FFBDRO C[C@]1([NH2+]CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCO[C@@H]1C1CC1 ZINC000784586958 738905560 /nfs/dbraw/zinc/90/55/60/738905560.db2.gz BSQBXMCJWVXGLZ-CVEARBPZSA-N 1 0 353.806 2.734 20 5 FFBDRO C[NH+](C)CCn1ccc(NC(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)n1 ZINC000787406817 739134280 /nfs/dbraw/zinc/13/42/80/739134280.db2.gz ORTQIUTVKWOTCK-UHFFFAOYSA-N 1 0 352.782 2.650 20 5 FFBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[C@H]([NH+](C)C)[C@@H]1C ZINC000931047503 739203651 /nfs/dbraw/zinc/20/36/51/739203651.db2.gz ZXCXGWKFDMUCPH-RWSFTLGLSA-N 1 0 354.838 2.600 20 5 FFBDRO CC(C)OC(=O)N1CCC([NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000788641644 739267161 /nfs/dbraw/zinc/26/71/61/739267161.db2.gz XKKJBJZNKIVEAO-LBPRGKRZSA-N 1 0 350.419 2.837 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+][C@H]2CC[C@@H](SC)C2)cc1[N+](=O)[O-] ZINC000788968345 739304168 /nfs/dbraw/zinc/30/41/68/739304168.db2.gz XAKJIUINKHDGKN-QWHCGFSZSA-N 1 0 354.428 2.520 20 5 FFBDRO CCOC(=O)NC1CCC([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000791011088 739523542 /nfs/dbraw/zinc/52/35/42/739523542.db2.gz NFYSDUIIUIZPLV-UHFFFAOYSA-N 1 0 351.403 2.750 20 5 FFBDRO COc1ccc(OCC[NH+]2CCC(O)(C3CCC3)CC2)c([N+](=O)[O-])c1 ZINC000932819793 739524339 /nfs/dbraw/zinc/52/43/39/739524339.db2.gz GOQGZAWSWQUVSH-UHFFFAOYSA-N 1 0 350.415 2.609 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)CCc2cc(F)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000933437238 739625130 /nfs/dbraw/zinc/62/51/30/739625130.db2.gz BIVJOAIZXUVJAY-XJKSGUPXSA-N 1 0 351.422 2.855 20 5 FFBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000933770248 739687436 /nfs/dbraw/zinc/68/74/36/739687436.db2.gz IVAQHIQZXVEQEU-AWEZNQCLSA-N 1 0 351.422 2.857 20 5 FFBDRO CCNC(=O)OC[C@H]1CCCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000796165937 740110605 /nfs/dbraw/zinc/11/06/05/740110605.db2.gz WKGCTKNPPANCEB-CQSZACIVSA-N 1 0 351.403 2.574 20 5 FFBDRO Cc1c(NC(=S)NCC[NH+](C)C)cc(Br)cc1[N+](=O)[O-] ZINC000797408063 740242953 /nfs/dbraw/zinc/24/29/53/740242953.db2.gz IKJIYVDUVVWNDH-UHFFFAOYSA-N 1 0 361.265 2.514 20 5 FFBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=S)NCC(C)(C)C[NH+](C)C ZINC000800828114 740552700 /nfs/dbraw/zinc/55/27/00/740552700.db2.gz JVRPBCTUSYISLF-UHFFFAOYSA-N 1 0 352.504 2.531 20 5 FFBDRO CC[N@H+](CC1CC(C)(C)C1)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000957713303 740553375 /nfs/dbraw/zinc/55/33/75/740553375.db2.gz WQFMTICVWAESQP-IAGOWNOFSA-N 1 0 351.491 2.648 20 5 FFBDRO CC(C)c1ccc(C(=O)OC[C@H]2C[N@H+](C(C)C)CCO2)cc1[N+](=O)[O-] ZINC000802136363 740676527 /nfs/dbraw/zinc/67/65/27/740676527.db2.gz GPXQITUZEBZBED-OAHLLOKOSA-N 1 0 350.415 2.984 20 5 FFBDRO O=[N+]([O-])c1cc2c(ncnc2NC2CC[NH+](C[C@@H]3CCCO3)CC2)s1 ZINC000804349932 740863082 /nfs/dbraw/zinc/86/30/82/740863082.db2.gz REAXBOGHLPKXJH-LBPRGKRZSA-N 1 0 363.443 2.655 20 5 FFBDRO Cc1ccc(NCCC[NH+]2CCC(O)CC2)c([N+](=O)[O-])c1Br ZINC000804360474 740863685 /nfs/dbraw/zinc/86/36/85/740863685.db2.gz FAPNNWJWAYIGGY-UHFFFAOYSA-N 1 0 372.263 2.924 20 5 FFBDRO C[N@@H+]1CCCC[C@@H]1CN1CCN(c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000804443001 740874498 /nfs/dbraw/zinc/87/44/98/740874498.db2.gz UDZBHZFUEUAGDU-OAHLLOKOSA-N 1 0 352.866 2.855 20 5 FFBDRO C[C@@H]1CCC[C@H](C)[N@H+]1CC(N)=NOCCOc1ccc([N+](=O)[O-])cc1 ZINC000809374668 741302864 /nfs/dbraw/zinc/30/28/64/741302864.db2.gz NZMXNYWSJBUBFU-OKILXGFUSA-N 1 0 350.419 2.735 20 5 FFBDRO C[C@H]1C[NH+](CCCNC(=O)Nc2cccc([N+](=O)[O-])c2Cl)C[C@H](C)O1 ZINC000809916071 741360535 /nfs/dbraw/zinc/36/05/35/741360535.db2.gz GAMCGHLKTNJBOL-RYUDHWBXSA-N 1 0 370.837 2.869 20 5 FFBDRO C[N@H+](Cc1cccc(Cl)c1F)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985430994 741395190 /nfs/dbraw/zinc/39/51/90/741395190.db2.gz LGDGFPUFNNKUBB-UKRRQHHQSA-N 1 0 369.824 2.567 20 5 FFBDRO CSC1(CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC[NH+](C)CC1 ZINC000813282551 741699022 /nfs/dbraw/zinc/69/90/22/741699022.db2.gz YYJQUZIWFQGHDI-UHFFFAOYSA-N 1 0 357.863 2.805 20 5 FFBDRO CCOC(=O)N[C@@H](C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)CC(C)C ZINC000815557102 741945178 /nfs/dbraw/zinc/94/51/78/741945178.db2.gz MEVIHFMSBCBZBY-TZMCWYRMSA-N 1 0 352.435 2.988 20 5 FFBDRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000818010980 742229728 /nfs/dbraw/zinc/22/97/28/742229728.db2.gz SEGBKWUTVOHOIW-ZBFHGGJFSA-N 1 0 367.833 2.607 20 5 FFBDRO C[C@@H](COc1ccc(F)cc1F)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818974723 742318609 /nfs/dbraw/zinc/31/86/09/742318609.db2.gz PETLDSALZZXDQF-MEDUHNTESA-N 1 0 352.337 2.964 20 5 FFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@H]2COC3(CCCCCC3)O2)c1 ZINC000819213500 742354865 /nfs/dbraw/zinc/35/48/65/742354865.db2.gz TYLIXGIHKQPQDJ-IRXDYDNUSA-N 1 0 350.415 2.684 20 5 FFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCc2cccc(C(F)(F)F)n2)c1 ZINC000819328309 742375671 /nfs/dbraw/zinc/37/56/71/742375671.db2.gz CBVGBUJRLROLET-AWEZNQCLSA-N 1 0 355.316 2.874 20 5 FFBDRO CC(C)[C@H](C(=O)OCc1ccc(Br)cc1[N+](=O)[O-])[NH+](C)C ZINC000820577342 742521695 /nfs/dbraw/zinc/52/16/95/742521695.db2.gz DEVCSSNIMZUREK-CYBMUJFWSA-N 1 0 359.220 2.987 20 5 FFBDRO C[NH+](C)CCC[C@@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CCO1 ZINC000823252559 742865114 /nfs/dbraw/zinc/86/51/14/742865114.db2.gz DKVYTLGOTFJSOO-GFCCVEGCSA-N 1 0 370.837 2.823 20 5 FFBDRO COc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000824644950 743121623 /nfs/dbraw/zinc/12/16/23/743121623.db2.gz VEKTXCPZZDLVJQ-RYUDHWBXSA-N 1 0 353.419 2.995 20 5 FFBDRO CCCN(C(=O)NCc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CC[N@H+](C)C1 ZINC000826677504 743421383 /nfs/dbraw/zinc/42/13/83/743421383.db2.gz MSDACGXUEPYNQS-CQSZACIVSA-N 1 0 354.838 2.874 20 5 FFBDRO O=[N+]([O-])c1ccc(Br)cc1NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000829010152 745154534 /nfs/dbraw/zinc/15/45/34/745154534.db2.gz INBLDYHMRXSUKY-TXEJJXNPSA-N 1 0 356.220 2.632 20 5 FFBDRO C[NH+](C)CC(C)(C)NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000836477481 746233781 /nfs/dbraw/zinc/23/37/81/746233781.db2.gz KUNOBWIVMAKIKN-UHFFFAOYSA-N 1 0 359.224 2.819 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(C(=O)N2CCC(OCC[NH+](C)C)CC2)cc1Cl ZINC000836698843 746287961 /nfs/dbraw/zinc/28/79/61/746287961.db2.gz RNRYKGPYTFDQDY-UHFFFAOYSA-N 1 0 369.849 2.739 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(C(=O)N(C)CCC[N@@H+](C)CCN(C)C)cc1Cl ZINC000836789465 746306516 /nfs/dbraw/zinc/30/65/16/746306516.db2.gz NBVWRJGXBCAFBJ-UHFFFAOYSA-N 1 0 370.881 2.512 20 5 FFBDRO CO[C@@](C)([C@H](C)[NH2+]CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C1CC1 ZINC000839638103 746877999 /nfs/dbraw/zinc/87/79/99/746877999.db2.gz HPJZPADSXFCIPF-QFYYESIMSA-N 1 0 355.822 2.980 20 5 FFBDRO NC(=O)[C@@]1(c2ccccc2)CC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000839643758 746880719 /nfs/dbraw/zinc/88/07/19/746880719.db2.gz SNLLGAPDVZUPGM-SFHVURJKSA-N 1 0 359.813 2.877 20 5 FFBDRO CO[C@@H]([C@H](C)[NH2+][C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)C1CC1 ZINC000840779440 747181180 /nfs/dbraw/zinc/18/11/80/747181180.db2.gz BVNDJOUYEBFDOI-WMFXKJRFSA-N 1 0 355.822 2.978 20 5 FFBDRO CC(C)(C)[C@H](C[NH3+])NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841160765 747283746 /nfs/dbraw/zinc/28/37/46/747283746.db2.gz GFXRHBBUQXYIJT-NSHDSACASA-N 1 0 359.224 2.852 20 5 FFBDRO C[C@]1(C[NH3+])CCN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000841160277 747283792 /nfs/dbraw/zinc/28/37/92/747283792.db2.gz BMWPBBNMYDROEI-CYBMUJFWSA-N 1 0 357.208 2.560 20 5 FFBDRO O=C(CN1CCCC[C@@H]1[C@H]1CCC[NH2+]1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000842473409 747612418 /nfs/dbraw/zinc/61/24/18/747612418.db2.gz FOBGEXULVFZUSA-UKRRQHHQSA-N 1 0 366.849 2.793 20 5 FFBDRO O=C(CN1CCC([C@@H]2CCC[NH2+]2)CC1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000842472292 747612489 /nfs/dbraw/zinc/61/24/89/747612489.db2.gz BXZYRNTVGWMGLD-AWEZNQCLSA-N 1 0 366.849 2.651 20 5 FFBDRO [NH3+][C@@H]1CCO[C@H](C2CCN(C(=O)c3cc([N+](=O)[O-])ccc3Cl)CC2)C1 ZINC000842510342 747623441 /nfs/dbraw/zinc/62/34/41/747623441.db2.gz QCLYRCHGVPDEAX-WBMJQRKESA-N 1 0 367.833 2.607 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@H](O)c2ccc(Cl)c(F)c2)c1 ZINC000843093777 747768554 /nfs/dbraw/zinc/76/85/54/747768554.db2.gz NZIDXGHNXRNWOR-CVEARBPZSA-N 1 0 354.765 2.744 20 5 FFBDRO CC[C@@H]1COC(C)(C)C[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000844383903 748018063 /nfs/dbraw/zinc/01/80/63/748018063.db2.gz AOVGXKMLCBVAOQ-GFCCVEGCSA-N 1 0 353.394 2.952 20 5 FFBDRO CN(CC[NH+]1CCCCC1)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000844464494 748036446 /nfs/dbraw/zinc/03/64/46/748036446.db2.gz PHJJZSOHKROSDE-UHFFFAOYSA-N 1 0 354.838 2.604 20 5 FFBDRO C[C@@H]1CN(c2cc(Cl)c(F)cc2[N+](=O)[O-])CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000845512337 748273423 /nfs/dbraw/zinc/27/34/23/748273423.db2.gz UXMJBHPUNKGGTO-DOMZBBRYSA-N 1 0 370.856 2.850 20 5 FFBDRO C[C@H]([C@@H](OC(=O)C1CC[NH+](C2CC2)CC1)c1ccccc1F)[N+](=O)[O-] ZINC000845881682 748344118 /nfs/dbraw/zinc/34/41/18/748344118.db2.gz MBVKUWJFCFNSOZ-SJKOYZFVSA-N 1 0 350.390 2.950 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+]CC[C@]2(C)C[C@@]2(F)Cl)cc1[N+](=O)[O-] ZINC000846030866 748389216 /nfs/dbraw/zinc/38/92/16/748389216.db2.gz DVTDRHQBDAVIMK-CVEARBPZSA-N 1 0 374.796 2.941 20 5 FFBDRO [NH3+]CCC1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CC1 ZINC000846696783 748525399 /nfs/dbraw/zinc/52/53/99/748525399.db2.gz WTIFSHCDSYNJEO-UHFFFAOYSA-N 1 0 374.210 2.697 20 5 FFBDRO CCC(C)(C)[NH+]1CCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000847039756 748603583 /nfs/dbraw/zinc/60/35/83/748603583.db2.gz IDIQXPIMOATHAV-UHFFFAOYSA-N 1 0 368.865 2.993 20 5 FFBDRO COCC[NH+]1CCC(OC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000847883153 748803232 /nfs/dbraw/zinc/80/32/32/748803232.db2.gz AAKSBNCUJBJWNV-UHFFFAOYSA-N 1 0 350.415 2.526 20 5 FFBDRO COCC[NH+]1CCC(OC(=O)c2cccc(SC)c2[N+](=O)[O-])CC1 ZINC000847885145 748803842 /nfs/dbraw/zinc/80/38/42/748803842.db2.gz IXNNCFOKBHTIMY-UHFFFAOYSA-N 1 0 354.428 2.584 20 5 FFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCS(=O)(=O)CC(F)(F)F ZINC000850364758 749353735 /nfs/dbraw/zinc/35/37/35/749353735.db2.gz RNQDCZAYAZZDGW-YRNVUSSQSA-N 1 0 366.361 2.565 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000852199019 749800183 /nfs/dbraw/zinc/80/01/83/749800183.db2.gz FFSXUWKUWOFWDI-ZDUSSCGKSA-N 1 0 354.838 2.920 20 5 FFBDRO C[C@H](CO)[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000852424273 749856679 /nfs/dbraw/zinc/85/66/79/749856679.db2.gz ALMMOYBKNPETQS-WBMJQRKESA-N 1 0 353.394 2.545 20 5 FFBDRO CCOC(=O)N[C@@H]1CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000055903511 845342051 /nfs/dbraw/zinc/34/20/51/845342051.db2.gz VYDYTBPOFDBYRX-CQSZACIVSA-N 1 0 351.403 2.574 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCC2([NH+]3CCCC3)CCOCC2)c1C ZINC000896185010 971318863 /nfs/dbraw/zinc/31/88/63/971318863.db2.gz YEVYYVRLTYUYAV-UHFFFAOYSA-N 1 0 361.442 2.586 20 5 FFBDRO C[C@@]1(CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)CC[N@H+](Cc2ccccc2)C1 ZINC000312505808 971503344 /nfs/dbraw/zinc/50/33/44/971503344.db2.gz RIXGULDFJREROR-FQEVSTJZSA-N 1 0 368.437 2.819 20 5 FFBDRO C[N@@H+]1CCCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC000046403829 963250817 /nfs/dbraw/zinc/25/08/17/963250817.db2.gz OVBXGFYXNSUATI-UHFFFAOYSA-N 1 0 354.410 2.989 20 5 FFBDRO O=C(NCC1C[NH2+]C1)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000262049567 965625948 /nfs/dbraw/zinc/62/59/48/965625948.db2.gz VMOROPXGCNWQFY-UHFFFAOYSA-N 1 0 374.828 2.810 20 5 FFBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[N@H+](C2CCCC2)[C@@H](C)C1 ZINC001176155003 1013647247 /nfs/dbraw/zinc/64/72/47/1013647247.db2.gz TVZBNJJDKFURJY-LSDHHAIUSA-N 1 0 360.458 2.871 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])c(N2C(C)(C)CC([NH3+])CC2(C)C)cc1OC ZINC001167624551 967019903 /nfs/dbraw/zinc/01/99/03/967019903.db2.gz AQFMBMQIPJZQHM-UHFFFAOYSA-N 1 0 365.430 2.875 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H]1c1ccnn1C ZINC001176517365 1013720988 /nfs/dbraw/zinc/72/09/88/1013720988.db2.gz VSXPZVIDYOWYIA-MRXNPFEDSA-N 1 0 373.413 2.503 20 5 FFBDRO C[NH+](C)CCN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C1CCCCC1 ZINC000065746180 968531237 /nfs/dbraw/zinc/53/12/37/968531237.db2.gz YVTGCUWYJXXEOB-UHFFFAOYSA-N 1 0 364.402 2.840 20 5 FFBDRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000892596437 969551857 /nfs/dbraw/zinc/55/18/57/969551857.db2.gz PQFSVWPDCBJYKM-MUJYYYPQSA-N 1 0 358.442 2.799 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)c1C ZINC000893135799 970658318 /nfs/dbraw/zinc/65/83/18/970658318.db2.gz MMZXKANUGBTADX-UHFFFAOYSA-N 1 0 357.414 2.927 20 5 FFBDRO C[C@H](CNC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000897067543 973217526 /nfs/dbraw/zinc/21/75/26/973217526.db2.gz KYSPWJYLYSCQFU-CVEARBPZSA-N 1 0 360.458 2.826 20 5 FFBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH+]2CCC3(CC2)C[C@@H](O)CCO3)c1 ZINC000897261772 973671043 /nfs/dbraw/zinc/67/10/43/973671043.db2.gz NHGNCKQCXBOVQB-AWEZNQCLSA-N 1 0 372.368 2.702 20 5 FFBDRO Cc1ccc(CNC(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc1[N+](=O)[O-] ZINC000876171043 1014157663 /nfs/dbraw/zinc/15/76/63/1014157663.db2.gz ISYHHRFAWHPXDA-KRWDZBQOSA-N 1 0 360.458 2.777 20 5 FFBDRO O=C1CCCN1[C@@H]1CCCN(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000111169983 975625585 /nfs/dbraw/zinc/62/55/85/975625585.db2.gz HMYQJGHGMLZDPI-GOSISDBHSA-N 1 0 369.425 2.503 20 5 FFBDRO O=C(C[N@H+](C1CC1)C1CCCC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000728914626 977467607 /nfs/dbraw/zinc/46/76/07/977467607.db2.gz GYXPSALGZVZPED-UHFFFAOYSA-N 1 0 372.469 2.650 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCC[C@H]([C@H](O)c2nccn2C)C1 ZINC000876809106 1014400838 /nfs/dbraw/zinc/40/08/38/1014400838.db2.gz CQMKDISFWGMRKT-YJBOKZPZSA-N 1 0 358.442 2.891 20 5 FFBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1c1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC000893859636 977569964 /nfs/dbraw/zinc/56/99/64/977569964.db2.gz MGXWVJUDJFINEY-ZFWWWQNUSA-N 1 0 356.426 2.510 20 5 FFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@@H](O)c3cccc(C(F)(F)F)c3)C2)c1 ZINC000877025499 1014452915 /nfs/dbraw/zinc/45/29/15/1014452915.db2.gz MHPUHYOYKWAQJL-SSDMNJCBSA-N 1 0 370.331 2.837 20 5 FFBDRO COc1cc[nH+]c(N2CCN(C(=S)Nc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000729164140 978194077 /nfs/dbraw/zinc/19/40/77/978194077.db2.gz FZDPQSSBSZQERT-UHFFFAOYSA-N 1 0 373.438 2.517 20 5 FFBDRO C[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[C@H](O)c1cccc(F)c1 ZINC000877084185 1014472189 /nfs/dbraw/zinc/47/21/89/1014472189.db2.gz QASUGLRVYVOBGE-YJYMSZOUSA-N 1 0 374.416 2.809 20 5 FFBDRO C[C@@H]1C[C@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CN1Cc1ccccc1 ZINC000877093798 1014475147 /nfs/dbraw/zinc/47/51/47/1014475147.db2.gz FECWCGFWSXUXHK-YKWDICOMSA-N 1 0 355.442 2.747 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N3CCC[C@H]4[NH2+]CC[C@H]43)cc2[N+](=O)[O-])CC1 ZINC000877286534 1014537866 /nfs/dbraw/zinc/53/78/66/1014537866.db2.gz FUWZOVPOXPLEQP-IAGOWNOFSA-N 1 0 372.469 2.798 20 5 FFBDRO COC(=O)[C@H](Cc1ccccc1)[C@@H](C)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877507676 1014606502 /nfs/dbraw/zinc/60/65/02/1014606502.db2.gz KKIUAIXFFCXEGF-DVUZTRGUSA-N 1 0 372.425 2.505 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(Cc2noc(C34CCC[NH+](CCC3)C4)n2)c1 ZINC000904054779 980171294 /nfs/dbraw/zinc/17/12/94/980171294.db2.gz KLBBLDOTHJCQDP-UHFFFAOYSA-N 1 0 358.398 2.705 20 5 FFBDRO C[C@]1(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCOC2(CCC2)C1 ZINC000905493072 980457314 /nfs/dbraw/zinc/45/73/14/980457314.db2.gz QRLXMXMPMIOTMF-WMZOPIPTSA-N 1 0 364.442 2.664 20 5 FFBDRO Cc1nn(C[N@H+]2CCC[C@H](c3ccn(C)n3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000905715938 980496752 /nfs/dbraw/zinc/49/67/52/980496752.db2.gz MDZXNVDIJMJFLP-AWEZNQCLSA-N 1 0 354.414 2.824 20 5 FFBDRO NC(=O)Cc1cccc2c1CC[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C2 ZINC000877679358 1014674323 /nfs/dbraw/zinc/67/43/23/1014674323.db2.gz DBXJYGJFZDLHHF-XBXARRHUSA-N 1 0 351.406 2.694 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](CC(C)C)C[NH+]1CCCC1 ZINC001211936834 981215948 /nfs/dbraw/zinc/21/59/48/981215948.db2.gz JWRFBVOLKYYCOQ-HNNXBMFYSA-N 1 0 369.487 2.692 20 5 FFBDRO Cc1c([N+](=O)[O-])cc(C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000067593516 981267523 /nfs/dbraw/zinc/26/75/23/981267523.db2.gz RGAJVBNDUHAMDI-GFCCVEGCSA-N 1 0 364.402 2.662 20 5 FFBDRO CC(C)[NH+]1CCN(CCCC(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000908512427 981460172 /nfs/dbraw/zinc/46/01/72/981460172.db2.gz MDXGQIYLLBOJJB-INIZCTEOSA-N 1 0 362.474 2.578 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000877903263 1014759623 /nfs/dbraw/zinc/75/96/23/1014759623.db2.gz NSZWWBYAMIZGJX-HNNXBMFYSA-N 1 0 362.430 2.668 20 5 FFBDRO O=C(c1cnc(CC2CC[NH2+]CC2)s1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000912183388 983976135 /nfs/dbraw/zinc/97/61/35/983976135.db2.gz MRFMHVUIGUGHAJ-UHFFFAOYSA-N 1 0 372.450 2.796 20 5 FFBDRO O=C(c1ccnc(-c2ccccc2)c1[N+](=O)[O-])N1CCC([NH+]2CCC2)CC1 ZINC000912873084 984136358 /nfs/dbraw/zinc/13/63/58/984136358.db2.gz HXVZPRNOVPBJKC-UHFFFAOYSA-N 1 0 366.421 2.967 20 5 FFBDRO CC(C)Cc1ccc(C[NH2+]C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1 ZINC000996439928 984347117 /nfs/dbraw/zinc/34/71/17/984347117.db2.gz JTNMLVCCKIVVCR-RTBURBONSA-N 1 0 359.470 2.631 20 5 FFBDRO CC[N@H+](CCc1ccccn1)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000764316258 984418127 /nfs/dbraw/zinc/41/81/27/984418127.db2.gz WAPQYKBPIKMBQD-CQSZACIVSA-N 1 0 372.425 2.890 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ncn(CN3CC[C@@H](C[NH+]4CCCCC4)C3)n2)cc1 ZINC000172958106 985725379 /nfs/dbraw/zinc/72/53/79/985725379.db2.gz BETLNQCSRMGIGZ-INIZCTEOSA-N 1 0 370.457 2.619 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C2CCN(CCc3ccccc3)CC2)cc1 ZINC000765845235 986709861 /nfs/dbraw/zinc/70/98/61/986709861.db2.gz OJHZDYYZDVNYIJ-OAQYLSRUSA-N 1 0 369.465 2.925 20 5 FFBDRO O=C(NC1CC[NH+](CCc2ccc3ccccc3c2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001002789252 987470363 /nfs/dbraw/zinc/47/03/63/987470363.db2.gz SXEGPBZZHBIERK-WOJBJXKFSA-N 1 0 367.449 2.628 20 5 FFBDRO O=C(NC1CC[NH+](Cc2cccc3ccccc32)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001002791654 987484235 /nfs/dbraw/zinc/48/42/35/987484235.db2.gz JOOUGISWEGAYSP-RTBURBONSA-N 1 0 353.422 2.586 20 5 FFBDRO C[C@@H](CNc1ccc([N+](=O)[O-])c2nonc21)[N@@H+]1CCc2ccccc2C1 ZINC000914863019 988000557 /nfs/dbraw/zinc/00/05/57/988000557.db2.gz CZQDDSSYNLAHGA-LBPRGKRZSA-N 1 0 353.382 2.990 20 5 FFBDRO CC1=CC[N@H+](CCNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CC1 ZINC000762706691 988595148 /nfs/dbraw/zinc/59/51/48/988595148.db2.gz LMUOWKBEGGJUAO-UHFFFAOYSA-N 1 0 372.469 2.967 20 5 FFBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NCC[NH+]2CCCC2)CC1 ZINC000193667287 988799261 /nfs/dbraw/zinc/79/92/61/988799261.db2.gz CPNQEIZPZPRKAB-UHFFFAOYSA-N 1 0 360.458 2.657 20 5 FFBDRO COc1cccc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000193942614 989109498 /nfs/dbraw/zinc/10/94/98/989109498.db2.gz MQPMCUBELRWLDW-UHFFFAOYSA-N 1 0 369.421 2.998 20 5 FFBDRO C[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)C(=O)N1c2ccccc2C[C@H]1C ZINC000915876599 989183564 /nfs/dbraw/zinc/18/35/64/989183564.db2.gz ZEDRFCXTUYNMTB-TYILLQQXSA-N 1 0 369.421 2.584 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N(CCc1ccccc1)CC[NH+](C)C ZINC000916384085 989783670 /nfs/dbraw/zinc/78/36/70/989783670.db2.gz NARQKTRQYIJLHM-UHFFFAOYSA-N 1 0 371.437 2.850 20 5 FFBDRO CC(C)(C)CC[NH+]1CCN(Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)CC1 ZINC000172897115 989823326 /nfs/dbraw/zinc/82/33/26/989823326.db2.gz TYQNMRUIIUJVRU-UHFFFAOYSA-N 1 0 372.473 2.865 20 5 FFBDRO O=C(N[C@H]1CC[C@H]([NH2+]Cc2ccc(C3CC3)cc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001034643927 990148762 /nfs/dbraw/zinc/14/87/62/990148762.db2.gz AEBQQTPTPJGCRB-NCXUSEDFSA-N 1 0 357.454 2.746 20 5 FFBDRO O=C(NCc1ccc(C[NH2+]CC2CC3(CCC3)C2)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001034816269 990269985 /nfs/dbraw/zinc/26/99/85/990269985.db2.gz KPHLAOBYAGZMFU-QZTJIDSGSA-N 1 0 357.454 2.638 20 5 FFBDRO COc1cccc([C@H]2CN(Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)CC[NH2+]2)c1 ZINC000879524837 1015574949 /nfs/dbraw/zinc/57/49/49/1015574949.db2.gz QFNMMOFMTKWDPR-GOSISDBHSA-N 1 0 367.409 2.626 20 5 FFBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000711061130 990665177 /nfs/dbraw/zinc/66/51/77/990665177.db2.gz RJMUJDYOGZEVDA-CZUORRHYSA-N 1 0 365.430 2.709 20 5 FFBDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000195031922 990706703 /nfs/dbraw/zinc/70/67/03/990706703.db2.gz GKDLTMTYNUMTHH-UHFFFAOYSA-N 1 0 369.425 2.611 20 5 FFBDRO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000919964602 990771858 /nfs/dbraw/zinc/77/18/58/990771858.db2.gz UTIOCHSPELKLOU-UHFFFAOYSA-N 1 0 362.474 2.515 20 5 FFBDRO CN(CCC[N@H+](C)CCc1ccc2ccccc2c1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001484742133 991742764 /nfs/dbraw/zinc/74/27/64/991742764.db2.gz QELQKHVOALIZND-WOJBJXKFSA-N 1 0 369.465 2.828 20 5 FFBDRO CN(C(=O)/C=C/c1ccc(OCC[NH+](C)C)cc1)c1ccc([N+](=O)[O-])nc1 ZINC000808794445 994267157 /nfs/dbraw/zinc/26/71/57/994267157.db2.gz KCTOVMUREJQVLU-IZZDOVSWSA-N 1 0 370.409 2.606 20 5 FFBDRO Cc1c([N+](=O)[O-])cc(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)cc1[N+](=O)[O-] ZINC000727095023 994468953 /nfs/dbraw/zinc/46/89/53/994468953.db2.gz SDPCVKNGIRFFFH-UHFFFAOYSA-N 1 0 368.309 2.644 20 5 FFBDRO COCOc1ccc(OC)cc1CN(CC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000809735096 994585143 /nfs/dbraw/zinc/58/51/43/994585143.db2.gz XCYQMHMBQJCLOL-UHFFFAOYSA-N 1 0 361.398 2.551 20 5 FFBDRO O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])O[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000810845905 994950757 /nfs/dbraw/zinc/95/07/57/994950757.db2.gz WBJPRYXIYDMPRV-DZGCQCFKSA-N 1 0 363.370 2.606 20 5 FFBDRO Cn1cc(C(=O)OCCCCC[NH+](C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000747763736 995325635 /nfs/dbraw/zinc/32/56/35/995325635.db2.gz OXLUISGFXVMOAQ-UHFFFAOYSA-N 1 0 360.414 2.884 20 5 FFBDRO CC(C)CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001133395977 995497267 /nfs/dbraw/zinc/49/72/67/995497267.db2.gz LCGBQBIANIFNEC-IAGOWNOFSA-N 1 0 367.877 2.970 20 5 FFBDRO Cc1nccn1-c1cc[nH+]cc1NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001136818742 996783453 /nfs/dbraw/zinc/78/34/53/996783453.db2.gz HSIOUHSVOQAWSW-UHFFFAOYSA-N 1 0 355.329 2.804 20 5 FFBDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001136839291 996846602 /nfs/dbraw/zinc/84/66/02/996846602.db2.gz DHPBPWJPGZARKY-CYBMUJFWSA-N 1 0 356.426 2.744 20 5 FFBDRO Cc1ccc(NCCCNC(=O)[C@@H]2CC[C@H]3C[C@@H](C)C[N@H+]3C2)c([N+](=O)[O-])c1 ZINC001136872058 996950945 /nfs/dbraw/zinc/95/09/45/996950945.db2.gz BTOGJOAXKCVTBE-ZACQAIPSSA-N 1 0 374.485 2.942 20 5 FFBDRO CC[C@@H](C[NH2+]Cc1cc(OC)c(O)cc1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000824661342 997041236 /nfs/dbraw/zinc/04/12/36/997041236.db2.gz VZJVLVNQUBOJCL-LBPRGKRZSA-N 1 0 369.418 2.702 20 5 FFBDRO CN(C[C@](C)(O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000844269021 997753371 /nfs/dbraw/zinc/75/33/71/997753371.db2.gz QYXBWTLJVCPQIE-GOSISDBHSA-N 1 0 367.446 2.645 20 5 FFBDRO Cc1ccc2c(C[C@H](C)[NH3+])cn(-c3cc([N+](=O)[O-])c4nncn4c3)c2c1 ZINC001171169067 998402173 /nfs/dbraw/zinc/40/21/73/998402173.db2.gz NHABNHWWFKWLHG-LBPRGKRZSA-N 1 0 350.382 2.780 20 5 FFBDRO C[C@H](OC(=O)CC[C@@H]1CCCC[N@@H+]1C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000803856273 1016245737 /nfs/dbraw/zinc/24/57/37/1016245737.db2.gz OCICYLSQOLAGDK-ZFWWWQNUSA-N 1 0 363.414 2.730 20 5 FFBDRO CN(C(=O)CN1CCCc2cc(CC[NH3+])ccc21)c1ccc([N+](=O)[O-])cc1 ZINC000903869792 1016278571 /nfs/dbraw/zinc/27/85/71/1016278571.db2.gz GRIBRGIMHUIZBS-UHFFFAOYSA-N 1 0 368.437 2.512 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000734262612 999257194 /nfs/dbraw/zinc/25/71/94/999257194.db2.gz MJVFNVIEYVVIIR-MRXNPFEDSA-N 1 0 362.430 2.668 20 5 FFBDRO C[C@@H](C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000741015325 999702523 /nfs/dbraw/zinc/70/25/23/999702523.db2.gz ADSASBOKVPBLPS-XQQFMLRXSA-N 1 0 364.398 2.766 20 5 FFBDRO O=C1CN(C[N@@H+]2CCC3(C2)CCCCC3)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000742165275 999760612 /nfs/dbraw/zinc/76/06/12/999760612.db2.gz GDUCDZIAUDXIQF-UHFFFAOYSA-N 1 0 372.425 2.977 20 5 FFBDRO CCC[N@H+](C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)C1 ZINC000742425338 999773554 /nfs/dbraw/zinc/77/35/54/999773554.db2.gz DJLRGLXEAWPJEU-AWEZNQCLSA-N 1 0 360.458 2.655 20 5 FFBDRO CCC[N@H+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)C1 ZINC000742425340 999773651 /nfs/dbraw/zinc/77/36/51/999773651.db2.gz DJLRGLXEAWPJEU-CQSZACIVSA-N 1 0 360.458 2.655 20 5 FFBDRO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)CCc1ccccn1 ZINC000744201166 999847443 /nfs/dbraw/zinc/84/74/43/999847443.db2.gz QMWIJRCKAOJNHG-UHFFFAOYSA-N 1 0 372.425 2.892 20 5 FFBDRO O=C(c1ccccc1)N1CCC[C@H](Nc2cc3c(cc2[N+](=O)[O-])C[NH2+]C3)C1 ZINC001168900910 1000005274 /nfs/dbraw/zinc/00/52/74/1000005274.db2.gz YSJVDUMXAVAAMK-KRWDZBQOSA-N 1 0 366.421 2.915 20 5 FFBDRO COCCO[C@@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC001168948540 1000010952 /nfs/dbraw/zinc/01/09/52/1000010952.db2.gz FEFDXDYCSOQECF-CQSZACIVSA-N 1 0 373.247 2.985 20 5 FFBDRO CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168964468 1000013108 /nfs/dbraw/zinc/01/31/08/1000013108.db2.gz SYJIHVAWHQKELU-WHWZVRATSA-N 1 0 353.463 2.667 20 5 FFBDRO CC(C)(C)OC(=O)N1CCC2(CC([NH2+][C@@H]3CC[C@H](C[N+](=O)[O-])C3)C2)C1 ZINC001168964966 1000013256 /nfs/dbraw/zinc/01/32/56/1000013256.db2.gz WVSDHPYWXUBJAY-JGTPUYEMSA-N 1 0 353.463 2.811 20 5 FFBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C2CCN(Cc3c(F)cccc3F)CC2)C1 ZINC001168997422 1000014307 /nfs/dbraw/zinc/01/43/07/1000014307.db2.gz ZCLSUWRSTDPSHE-HIFRSBDPSA-N 1 0 353.413 2.964 20 5 FFBDRO COc1cc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)ccc1OC1CCOCC1 ZINC001168999061 1000014511 /nfs/dbraw/zinc/01/45/11/1000014511.db2.gz ROPWWGPYXAHQCK-CVEARBPZSA-N 1 0 364.442 2.788 20 5 FFBDRO O=C([C@H](Cc1ccccc1)[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)N1CCCCC1 ZINC001169004321 1000014950 /nfs/dbraw/zinc/01/49/50/1000014950.db2.gz QLRZCSRRTGESKU-QYZOEREBSA-N 1 0 359.470 2.645 20 5 FFBDRO O=C(c1ccc(Cl)cc1)N1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169038955 1000016936 /nfs/dbraw/zinc/01/69/36/1000016936.db2.gz LUGSUMWVPSTPTD-CJNGLKHVSA-N 1 0 351.834 2.543 20 5 FFBDRO CN1C(=O)[C@H](c2ccccc2)CC12CC[NH+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169018427 1000017178 /nfs/dbraw/zinc/01/71/78/1000017178.db2.gz BEPXMIHACRKONK-UHOSZYNNSA-N 1 0 371.481 2.912 20 5 FFBDRO O=C(c1ccco1)N1CCC2(C1)CC[NH+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169018032 1000017264 /nfs/dbraw/zinc/01/72/64/1000017264.db2.gz BIORDBCFRASNJA-CVEARBPZSA-N 1 0 361.442 2.653 20 5 FFBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CC[C@H]3O[C@H](COc4cccnc4)CC[C@H]32)C1 ZINC001169019192 1000017469 /nfs/dbraw/zinc/01/74/69/1000017469.db2.gz FJIHNJWRMDVLAJ-QWXYKEQDSA-N 1 0 361.442 2.528 20 5 FFBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2CCN(Cc3ccncc3)c3ncccc3C2)C1 ZINC001169019628 1000017644 /nfs/dbraw/zinc/01/76/44/1000017644.db2.gz GYPXVDAEUCDBIS-PKOBYXMFSA-N 1 0 367.453 2.744 20 5 FFBDRO O=C(c1ccco1)N1CCCC12CC[NH+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169022768 1000017955 /nfs/dbraw/zinc/01/79/55/1000017955.db2.gz SNLCJOBKDISHAC-HZPDHXFCSA-N 1 0 361.442 2.796 20 5 FFBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCC(n3cc(Br)cn3)CC2)C1 ZINC001169054618 1000019051 /nfs/dbraw/zinc/01/90/51/1000019051.db2.gz MWRWCKBOBGMADN-SMDDNHRTSA-N 1 0 357.252 2.728 20 5 FFBDRO C[NH+](C)CCOc1cc(N[C@H]2CCc3ccccc3[C@@H]2O)ccc1[N+](=O)[O-] ZINC001169625928 1000063726 /nfs/dbraw/zinc/06/37/26/1000063726.db2.gz DOLYQPSIDNKKHU-PXNSSMCTSA-N 1 0 371.437 2.996 20 5 FFBDRO CC[NH+]1CCN(Cc2ccccc2CNc2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000804351363 1000109932 /nfs/dbraw/zinc/10/99/32/1000109932.db2.gz XFIJGZHETQETAH-UHFFFAOYSA-N 1 0 369.469 2.927 20 5 FFBDRO Cc1cc(C)c(C[N@H+]2CC=C(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c(C)c1 ZINC001000669086 1016418938 /nfs/dbraw/zinc/41/89/38/1016418938.db2.gz GTQHTOJCRGUUBT-IEBWSBKVSA-N 1 0 357.454 2.525 20 5 FFBDRO CC(C)c1ccccc1C[N@H+]1CC=C(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001000675139 1016422414 /nfs/dbraw/zinc/42/24/14/1016422414.db2.gz RMBNVBYLBZKZSP-RTBURBONSA-N 1 0 357.454 2.724 20 5 FFBDRO Cn1cc([C@H](O)C[C@H]2CCC[N@@H+]2C/C=C\c2ccccc2[N+](=O)[O-])cn1 ZINC000770388040 1000784344 /nfs/dbraw/zinc/78/43/44/1000784344.db2.gz ULOBHHVIHUHGCP-DSABOLQXSA-N 1 0 356.426 2.930 20 5 FFBDRO Cc1c(Cl)nc(-c2ccc([N+](=O)[O-])cc2)nc1NC[C@H]1CCCC[NH2+]1 ZINC001171331087 1001137974 /nfs/dbraw/zinc/13/79/74/1001137974.db2.gz ZEVJSBWRNCPSNH-CYBMUJFWSA-N 1 0 361.833 2.990 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@@]2(O)CCc3ccccc32)n1 ZINC000774268655 1001827657 /nfs/dbraw/zinc/82/76/57/1001827657.db2.gz FKLPQRHHQRKVCP-LMMKCTJWSA-N 1 0 356.426 2.699 20 5 FFBDRO Cc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)[NH+](C)C)cc1 ZINC000791339040 1002657906 /nfs/dbraw/zinc/65/79/06/1002657906.db2.gz HAZLVRLFLUFMTF-KRWDZBQOSA-N 1 0 360.389 2.657 20 5 FFBDRO CCc1ccc(C(=O)OCCCN2CC[NH+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000791979208 1002860018 /nfs/dbraw/zinc/86/00/18/1002860018.db2.gz NFGMKZGSBKBYPY-UHFFFAOYSA-N 1 0 363.458 2.730 20 5 FFBDRO CCOC(=O)N1CCC([NH2+][C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC001170297720 1003091891 /nfs/dbraw/zinc/09/18/91/1003091891.db2.gz QYCBKQOCLVPGKM-CYBMUJFWSA-N 1 0 365.430 2.745 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(OC(C)C)cc1NC[C@H]1O[C@H](C(C)C)O[C@@H]1C[NH3+] ZINC001170279905 1003097099 /nfs/dbraw/zinc/09/70/99/1003097099.db2.gz OZRPAOOSVUVLEP-KZNAEPCWSA-N 1 0 367.446 2.827 20 5 FFBDRO COc1ccc([C@H](O)C[NH2+][C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC001170312582 1003104295 /nfs/dbraw/zinc/10/42/95/1003104295.db2.gz FUOZEFHFGLDBDH-ORAYPTAESA-N 1 0 360.410 2.866 20 5 FFBDRO COc1ccc(C[C@@H](C)[NH2+]C2(CO)Cc3ccccc3C2)c([N+](=O)[O-])c1 ZINC001170315943 1003106068 /nfs/dbraw/zinc/10/60/68/1003106068.db2.gz ZHMLQWJSGDNGMB-CQSZACIVSA-N 1 0 356.422 2.654 20 5 FFBDRO COc1ccc(C[C@@H](C)[NH2+][C@H]2CCN(Cc3cccnc3)C2)c([N+](=O)[O-])c1 ZINC001170319198 1003108825 /nfs/dbraw/zinc/10/88/25/1003108825.db2.gz UWLXJYADCHDVPV-QAPCUYQASA-N 1 0 370.453 2.794 20 5 FFBDRO COc1ccc(C[C@H](C)[NH2+][C@@H](CCO)c2ccc(N)cc2)c([N+](=O)[O-])c1 ZINC001170321848 1003110322 /nfs/dbraw/zinc/11/03/22/1003110322.db2.gz COTSORRWVGNLEW-UGSOOPFHSA-N 1 0 359.426 2.830 20 5 FFBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2ccc(OC)c(OC)n2)c([N+](=O)[O-])c1 ZINC001170322922 1003112223 /nfs/dbraw/zinc/11/22/23/1003112223.db2.gz IQBZNACVKPJDOW-GFCCVEGCSA-N 1 0 361.398 2.736 20 5 FFBDRO COc1ccc(C[C@@H](C)[NH2+][C@H]2CCCN(c3cnccn3)C2)c([N+](=O)[O-])c1 ZINC001170324696 1003113721 /nfs/dbraw/zinc/11/37/21/1003113721.db2.gz SHHHIXUTLDWEDM-ZBFHGGJFSA-N 1 0 371.441 2.583 20 5 FFBDRO CCC(=O)N[C@H]1CC[C@H]([NH2+][C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC001170329237 1003114645 /nfs/dbraw/zinc/11/46/45/1003114645.db2.gz YCMDBOZRHKGAET-BPUTZDHNSA-N 1 0 363.458 2.961 20 5 FFBDRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170329873 1003116591 /nfs/dbraw/zinc/11/65/91/1003116591.db2.gz WGVXCQDYXHLOQT-NWANDNLSSA-N 1 0 350.415 2.856 20 5 FFBDRO COc1ccc(C[C@H](C)[N@@H+]2CC[C@H](Oc3ncc(C)cn3)C2)c([N+](=O)[O-])c1 ZINC001170355636 1003122894 /nfs/dbraw/zinc/12/28/94/1003122894.db2.gz NGOOEWSNYDSDCH-YOEHRIQHSA-N 1 0 372.425 2.786 20 5 FFBDRO COC(=O)[C@@H]1C[C@@H](C)C[N@@H+]([C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170345427 1003132278 /nfs/dbraw/zinc/13/22/78/1003132278.db2.gz KIIIUASYEWWOGH-UMVBOHGHSA-N 1 0 350.415 2.665 20 5 FFBDRO COc1ccc(C[C@@H](C)[NH+]2CCC(N3CC(F)C3)CC2)c([N+](=O)[O-])c1 ZINC001170348732 1003133971 /nfs/dbraw/zinc/13/39/71/1003133971.db2.gz ZZBKAUZVODGTAD-CYBMUJFWSA-N 1 0 351.422 2.653 20 5 FFBDRO O=C(O[C@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1)c1ccc2c[nH+]cn2c1 ZINC000793278050 1003324628 /nfs/dbraw/zinc/32/46/28/1003324628.db2.gz WQYHABSQHWTJTM-KRWDZBQOSA-N 1 0 352.350 2.678 20 5 FFBDRO Nc1ccc(N2CCC([NH2+]CCOc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000804467078 1003690707 /nfs/dbraw/zinc/69/07/07/1003690707.db2.gz XPMXQUKMEUVAGN-UHFFFAOYSA-N 1 0 356.426 2.814 20 5 FFBDRO CC(C)(C(=O)NCc1ccc2c[nH+]cn2c1)c1ccc([N+](=O)[O-])cc1F ZINC001129553990 1003698330 /nfs/dbraw/zinc/69/83/30/1003698330.db2.gz MVKFFTUKWLQDQN-UHFFFAOYSA-N 1 0 356.357 2.976 20 5 FFBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1ccc([N+](=O)[O-])cc1C(=O)NC1CC1 ZINC000804813938 1003860068 /nfs/dbraw/zinc/86/00/68/1003860068.db2.gz WIUWZMCVDNSNOH-CJNGLKHVSA-N 1 0 358.442 2.550 20 5 FFBDRO CCC(O)(CC)C(C)(C)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC001197157324 1004105736 /nfs/dbraw/zinc/10/57/36/1004105736.db2.gz SQYRKQUQXNGIQQ-UHFFFAOYSA-N 1 0 367.446 2.851 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@]2(C)CC[N@H+](Cc3ccccc3)C2)n1 ZINC001130613518 1004304180 /nfs/dbraw/zinc/30/41/80/1004304180.db2.gz DEJTUBGRKUMOKS-LJQANCHMSA-N 1 0 354.410 2.693 20 5 FFBDRO Cc1ccc([C@H](CNC(=O)c2cc(C)cc([N+](=O)[O-])c2N)[NH+](C)C)cc1 ZINC000104149082 1004436387 /nfs/dbraw/zinc/43/63/87/1004436387.db2.gz OASLMMVGLPHHMT-KRWDZBQOSA-N 1 0 356.426 2.827 20 5 FFBDRO Cc1ccc(C)c(C2CC[NH+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)c1 ZINC001198466462 1004627838 /nfs/dbraw/zinc/62/78/38/1004627838.db2.gz AAJNULRQPIKUPB-GOSISDBHSA-N 1 0 358.442 2.649 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H]1CCOC12CCCC2 ZINC001198506656 1004653953 /nfs/dbraw/zinc/65/39/53/1004653953.db2.gz CNQOJUFFQANQMG-INIZCTEOSA-N 1 0 363.414 2.623 20 5 FFBDRO C[C@@H](CNC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH+]1CCCCC1 ZINC000808280922 1004790227 /nfs/dbraw/zinc/79/02/27/1004790227.db2.gz WGYVQFZWARXHII-AWEZNQCLSA-N 1 0 373.457 2.792 20 5 FFBDRO CC1(C)OC[C@H](C[N@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)O1 ZINC000852205403 1005951040 /nfs/dbraw/zinc/95/10/40/1005951040.db2.gz ZNTRKYLCKQKFLA-ULQDDVLXSA-N 1 0 364.442 2.852 20 5 FFBDRO CCN(C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCN(c2ccccc2)C1=O ZINC000776582884 1005954360 /nfs/dbraw/zinc/95/43/60/1005954360.db2.gz CZPABNTVACQBQA-RBUKOAKNSA-N 1 0 369.421 2.756 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC[C@H](c3nnc4ccccn43)C2)cc1 ZINC000776584278 1005954776 /nfs/dbraw/zinc/95/47/76/1005954776.db2.gz KAZOSAJAJKXDFE-DOTOQJQBSA-N 1 0 367.409 2.551 20 5 FFBDRO CCCCCC(=O)NC1CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776581390 1005961773 /nfs/dbraw/zinc/96/17/73/1005961773.db2.gz INLREYCPOREDTF-SFHVURJKSA-N 1 0 363.458 2.789 20 5 FFBDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776592676 1006009830 /nfs/dbraw/zinc/00/98/30/1006009830.db2.gz SFBRWOHOVBEPHH-UXHICEINSA-N 1 0 355.438 2.835 20 5 FFBDRO CC(C)([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)C(=O)NCC1CCCCC1 ZINC000776597385 1006041649 /nfs/dbraw/zinc/04/16/49/1006041649.db2.gz 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C[NH2+]CCOc1ccccc1C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000884170811 1007285640 /nfs/dbraw/zinc/28/56/40/1007285640.db2.gz GSXTZGNFTUHUOE-AWEZNQCLSA-N 1 0 357.410 2.992 20 5 FFBDRO CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000776810125 1007310400 /nfs/dbraw/zinc/31/04/00/1007310400.db2.gz WPSYDNLXOVVPNL-HIFRSBDPSA-N 1 0 365.430 2.950 20 5 FFBDRO C[C@@H]1C[C@H](C(=O)OC(C)(C)C)C[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000817288913 1007509592 /nfs/dbraw/zinc/50/95/92/1007509592.db2.gz OWMMJTVIQKUWMJ-UKPHBRMFSA-N 1 0 364.442 2.928 20 5 FFBDRO CCC1([NH+]2CCC2)CCN(c2ccc(CC(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000884716709 1007517544 /nfs/dbraw/zinc/51/75/44/1007517544.db2.gz HDUXOFNVSOCQFZ-UHFFFAOYSA-N 1 0 361.442 2.765 20 5 FFBDRO C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000855735824 1007531663 /nfs/dbraw/zinc/53/16/63/1007531663.db2.gz WZIOHACPAMEBSE-KRWDZBQOSA-N 1 0 368.437 2.566 20 5 FFBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000856356141 1007784692 /nfs/dbraw/zinc/78/46/92/1007784692.db2.gz YCYVFFZHWLNIBQ-POGDKVGISA-N 1 0 351.406 2.999 20 5 FFBDRO C[NH+](C)C[C@H]1COC2(CCCC2)CN1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000856412863 1007813037 /nfs/dbraw/zinc/81/30/37/1007813037.db2.gz YUKYNUSVQRBPOO-VOCYLRNQSA-N 1 0 373.453 2.710 20 5 FFBDRO [NH3+]Cc1cccc(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000818433955 1007909089 /nfs/dbraw/zinc/90/90/89/1007909089.db2.gz MJYVYSZKKWNLDT-UHFFFAOYSA-N 1 0 355.394 2.737 20 5 FFBDRO CC(C)(C)OC(=O)N1CCC[C@H]1C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819040097 1008016593 /nfs/dbraw/zinc/01/65/93/1008016593.db2.gz VKRWPVXQKYKLOC-HOTGVXAUSA-N 1 0 365.430 2.617 20 5 FFBDRO CC(C)[C@@H](C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)NC(=O)OC(C)(C)C ZINC000819077286 1008039007 /nfs/dbraw/zinc/03/90/07/1008039007.db2.gz KFWJIUYGUMSENP-CVEARBPZSA-N 1 0 367.446 2.767 20 5 FFBDRO C[C@@H]1C[C@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CN1Cc1ccccc1 ZINC000819154885 1008045079 /nfs/dbraw/zinc/04/50/79/1008045079.db2.gz RTEJYDAGCKFCDC-BPAFIMBUSA-N 1 0 355.438 2.881 20 5 FFBDRO CC(=O)N1CC[C@@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000819191467 1008061713 /nfs/dbraw/zinc/06/17/13/1008061713.db2.gz RCZZGANOOJGJLI-MJGOQNOKSA-N 1 0 355.394 2.716 20 5 FFBDRO O=C1[C@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCCN1c1ccccc1F ZINC000819193527 1008062971 /nfs/dbraw/zinc/06/29/71/1008062971.db2.gz IFKDHSYOLZSLRA-SJLPKXTDSA-N 1 0 373.384 2.553 20 5 FFBDRO COc1ccccc1OC[C@@H](C)C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819196446 1008063754 /nfs/dbraw/zinc/06/37/54/1008063754.db2.gz RCXQTHCIKDRWAA-YOEHRIQHSA-N 1 0 360.410 2.942 20 5 FFBDRO CSc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N)[NH+](C)C)cc1 ZINC000819335649 1008101568 /nfs/dbraw/zinc/10/15/68/1008101568.db2.gz NQOUCDLQHMJMGM-QGZVFWFLSA-N 1 0 374.466 2.932 20 5 FFBDRO Nc1ccc(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000819640185 1008202503 /nfs/dbraw/zinc/20/25/03/1008202503.db2.gz PZUKTOGBOUGKQB-QFBILLFUSA-N 1 0 366.421 2.524 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H]1COCCN1C(=O)OC(C)(C)C ZINC000858280336 1008338708 /nfs/dbraw/zinc/33/87/08/1008338708.db2.gz PGBGYZGVMRATCE-INIZCTEOSA-N 1 0 365.430 2.629 20 5 FFBDRO O=C1COc2cc([N+](=O)[O-])c(NC[C@H]3CC[N@@H+]3C3CCCCC3)cc2N1 ZINC000858683669 1008403921 /nfs/dbraw/zinc/40/39/21/1008403921.db2.gz VWZUXSZYULCOOQ-CYBMUJFWSA-N 1 0 360.414 2.745 20 5 FFBDRO Cc1c(CO)cc([N+](=O)[O-])c(NC[C@@H]2CC[N@@H+]2C2CCCC2)c1[N+](=O)[O-] ZINC000858780248 1008422587 /nfs/dbraw/zinc/42/25/87/1008422587.db2.gz LMRKATUNWBRKIJ-AWEZNQCLSA-N 1 0 364.402 2.733 20 5 FFBDRO Cc1cccc(C[NH+]2CCN(C[C@H](O)c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000136818612 1008552984 /nfs/dbraw/zinc/55/29/84/1008552984.db2.gz MFGNEZPXEFTGJN-FQEVSTJZSA-N 1 0 355.438 2.754 20 5 FFBDRO COC(=O)[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H]2CCC[C@@H]21 ZINC000859955034 1008743939 /nfs/dbraw/zinc/74/39/39/1008743939.db2.gz RQOMFMINLJHDBN-KFWWJZLASA-N 1 0 363.370 2.667 20 5 FFBDRO Cc1nc([N+](=O)[O-])c(-c2noc(CC[C@H]([NH3+])CC3CCCCC3)n2)n1C ZINC000823095252 1008898354 /nfs/dbraw/zinc/89/83/54/1008898354.db2.gz ZPIRCJYYCVJYSO-ZDUSSCGKSA-N 1 0 362.434 2.917 20 5 FFBDRO O=C(NCCCCCC[NH2+]CCc1ccc(Cl)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001178464274 1008999353 /nfs/dbraw/zinc/99/93/53/1008999353.db2.gz SKMJSKDKAVKVMP-IAGOWNOFSA-N 1 0 367.877 2.814 20 5 FFBDRO C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000823956539 1009278094 /nfs/dbraw/zinc/27/80/94/1009278094.db2.gz SKSUWUJSSLDTLM-WBVHZDCISA-N 1 0 355.398 2.744 20 5 FFBDRO CC[C@@H]1COCCN1CC[NH2+]Cc1c(Br)cccc1[N+](=O)[O-] ZINC001179516165 1009351395 /nfs/dbraw/zinc/35/13/95/1009351395.db2.gz RCEKEMJSDRMCHB-GFCCVEGCSA-N 1 0 372.263 2.558 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H](CO)Cc3ccc(F)cc3)CC2)cc1 ZINC000773131139 1009474141 /nfs/dbraw/zinc/47/41/41/1009474141.db2.gz KINGJGLBJYDMBO-GOSISDBHSA-N 1 0 373.428 2.896 20 5 FFBDRO O=[N+]([O-])c1cc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c2c(c1)COCO2 ZINC000134930926 1009502844 /nfs/dbraw/zinc/50/28/44/1009502844.db2.gz RWUUKLLOYOKVMT-AUUYWEPGSA-N 1 0 373.453 2.910 20 5 FFBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)Nc1ccnc(OCC[NH+](C)C)c1 ZINC000889754949 1010092832 /nfs/dbraw/zinc/09/28/32/1010092832.db2.gz VWTNZSWNQBTPRB-UHFFFAOYSA-N 1 0 362.361 2.630 20 5 FFBDRO [NH2+]=c1ccc2nc3c(cc(NC(=O)COCCO)c4ccccc43)oc-2c1 ZINC001181795264 1010248638 /nfs/dbraw/zinc/24/86/38/1010248638.db2.gz WLTOGSHFNKFZRH-UHFFFAOYSA-N 1 0 363.373 2.513 20 5 FFBDRO CC(C)[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])[C@H](O)c1ccccc1 ZINC000794614664 1010441749 /nfs/dbraw/zinc/44/17/49/1010441749.db2.gz SNRCLBBOFWJNEZ-RTBURBONSA-N 1 0 357.410 2.881 20 5 FFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]Cc2cccnc2-n2ccnc2)n1 ZINC000774124892 1010482851 /nfs/dbraw/zinc/48/28/51/1010482851.db2.gz YKXXARKBWFHBHP-HOTGVXAUSA-N 1 0 367.413 2.646 20 5 FFBDRO O=C(c1ccc(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)cc1)N1CCCC1 ZINC000865455598 1010789431 /nfs/dbraw/zinc/78/94/31/1010789431.db2.gz JHXMEQQVZMDUKK-UHFFFAOYSA-N 1 0 369.421 2.999 20 5 FFBDRO C[NH+]1CCC2(CC1)CN(c1cc[nH]c(=O)c1[N+](=O)[O-])Cc1ccccc12 ZINC000866016551 1010907632 /nfs/dbraw/zinc/90/76/32/1010907632.db2.gz OUVRUGQUJDXSGP-UHFFFAOYSA-N 1 0 354.410 2.679 20 5 FFBDRO CCc1nn(C)c(N2Cc3ccccc3C3(CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000866017058 1010907953 /nfs/dbraw/zinc/90/79/53/1010907953.db2.gz DSFJQPRBHUOEGD-UHFFFAOYSA-N 1 0 369.469 2.874 20 5 FFBDRO C[C@@H]([NH2+]Cc1ccc(CN2CCNC2=O)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000866573009 1011017833 /nfs/dbraw/zinc/01/78/33/1011017833.db2.gz FGIPDHPMDQOEPV-CQSZACIVSA-N 1 0 354.410 2.971 20 5 FFBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)NCCCCc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000868309204 1011240724 /nfs/dbraw/zinc/24/07/24/1011240724.db2.gz GWNGTNSAJGSUQM-AEFFLSMTSA-N 1 0 360.458 2.653 20 5 FFBDRO Cc1ccc(C[N@@H+]2C[C@H]3COC[C@@]3(C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC001171867669 1011516064 /nfs/dbraw/zinc/51/60/64/1011516064.db2.gz KIXMDVROOQXBOV-KXBFYZLASA-N 1 0 362.426 2.693 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(N2CCC([N@@H+]3CCC[C@H](O)CC3)CC2)c(F)c1 ZINC001173009251 1012175774 /nfs/dbraw/zinc/17/57/74/1012175774.db2.gz AJIHWWKDFDRCRC-AWEZNQCLSA-N 1 0 355.385 2.689 20 5 FFBDRO CC[N@H+](CCC(=O)OC)C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173018866 1012188497 /nfs/dbraw/zinc/18/84/97/1012188497.db2.gz HUOPWNWAVKDLOA-UHFFFAOYSA-N 1 0 371.384 2.727 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(N2CCC([N@@H+]3CCOC[C@H]3C3CC3)CC2)c(F)c1 ZINC001173019513 1012191863 /nfs/dbraw/zinc/19/18/63/1012191863.db2.gz LUYYHLMNMVZHJX-KRWDZBQOSA-N 1 0 367.396 2.953 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@H]2CCN(C(=O)C(C)C)C2)c1F ZINC001173177909 1012321031 /nfs/dbraw/zinc/32/10/31/1012321031.db2.gz FRTMAMYCIPUKIP-STQMWFEESA-N 1 0 367.421 2.520 20 5 FFBDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C1 ZINC000646997075 1012326050 /nfs/dbraw/zinc/32/60/50/1012326050.db2.gz ODJZYSZXFUQSRC-STQMWFEESA-N 1 0 371.387 2.959 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C[C@@H]2CCCN(C(C)=O)C2)c1F ZINC001173189325 1012328338 /nfs/dbraw/zinc/32/83/38/1012328338.db2.gz OJMMWIPWKHHMLT-JSGCOSHPSA-N 1 0 367.421 2.522 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]Cc2cccc(CCO)c2)c1F ZINC001173184473 1012329004 /nfs/dbraw/zinc/32/90/04/1012329004.db2.gz QNLMACJBAMKYAA-CYBMUJFWSA-N 1 0 362.401 2.998 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+](C)[C@H]2CCC3(C2)OCCO3)c1F ZINC001173193631 1012333714 /nfs/dbraw/zinc/33/37/14/1012333714.db2.gz UUKXOQOHLAZBSF-OLZOCXBDSA-N 1 0 368.405 2.901 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CCC[C@H](n3cncn3)C2)c1F ZINC001173197306 1012340292 /nfs/dbraw/zinc/34/02/92/1012340292.db2.gz SNYUXSOBIQAYQX-STQMWFEESA-N 1 0 363.393 2.602 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CC([NH+]3CCC(F)CC3)C2)c1F ZINC001173198442 1012340353 /nfs/dbraw/zinc/34/03/53/1012340353.db2.gz ZOPRAQUJJBYBAD-LBPRGKRZSA-N 1 0 369.412 2.792 20 5 FFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCNC(=O)c1ccc(Cl)cn1 ZINC001173216046 1012349768 /nfs/dbraw/zinc/34/97/68/1012349768.db2.gz BSGXTVGXOUCNOJ-GFCCVEGCSA-N 1 0 362.817 2.594 20 5 FFBDRO CCOC[C@@H]1C[N@@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)Cc2cn(C)nc21 ZINC001173223441 1012356097 /nfs/dbraw/zinc/35/60/97/1012356097.db2.gz FXJMCWBBAJQOGG-PBHICJAKSA-N 1 0 358.442 2.895 20 5 FFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCc2onc(Cn3cccn3)c2C1 ZINC001173226906 1012360860 /nfs/dbraw/zinc/36/08/60/1012360860.db2.gz MQAYCGIESCCJMN-CQSZACIVSA-N 1 0 367.409 2.817 20 5 FFBDRO CCn1c(=O)ccc2c1CC[C@H]([NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1)C2 ZINC001173210524 1012369417 /nfs/dbraw/zinc/36/94/17/1012369417.db2.gz LLMMCPDAFPITGD-YOEHRIQHSA-N 1 0 355.438 2.855 20 5 FFBDRO COc1ccnc(O[C@@H]2CCC[N@@H+]([C@@H](C)Cc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC001173237404 1012383009 /nfs/dbraw/zinc/38/30/09/1012383009.db2.gz JCIWXWOGPJNBGO-WMLDXEAASA-N 1 0 372.425 2.868 20 5 FFBDRO CCC[NH+](CCC)C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001173697296 1012901847 /nfs/dbraw/zinc/90/18/47/1012901847.db2.gz PRWWLUQFUPWIML-UHFFFAOYSA-N 1 0 369.487 2.870 20 5 FFBDRO CC1(C)CCC[N@@H+]1C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001173697573 1012902075 /nfs/dbraw/zinc/90/20/75/1012902075.db2.gz SOQLDKOJBUJLAW-UHFFFAOYSA-N 1 0 367.471 2.622 20 5 FFBDRO C[C@@H](NC(=O)N1CCN(c2cc[nH+]cc2)[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000925252622 1017680377 /nfs/dbraw/zinc/68/03/77/1017680377.db2.gz LYQLKEMJFHAQEC-LSDHHAIUSA-N 1 0 369.425 2.971 20 5 FFBDRO O=C(NC1CC[NH+](Cc2cccnc2)CC1)c1cc([N+](=O)[O-])ccc1F ZINC000827812115 1018734072 /nfs/dbraw/zinc/73/40/72/1018734072.db2.gz CTJYFFHGWSHPBL-UHFFFAOYSA-N 1 0 358.373 2.523 20 5 FFBDRO C[C@H]1[C@@H](NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)CC[N@@H+]1C ZINC000928440784 1018979971 /nfs/dbraw/zinc/97/99/71/1018979971.db2.gz KXNOHNBDRMBGSA-QFYYESIMSA-N 1 0 371.387 2.782 20 5 FFBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N)[N@H+](C)Cc1ccccc1 ZINC000801891454 1019490196 /nfs/dbraw/zinc/49/01/96/1019490196.db2.gz LWROOOPGGHQZFR-GFCCVEGCSA-N 1 0 360.389 2.566 20 5 FFBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)OC[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC000802138836 1019791205 /nfs/dbraw/zinc/79/12/05/1019791205.db2.gz PVFWYZVRTZHDOO-WMZOPIPTSA-N 1 0 364.442 2.816 20 5 FFBDRO Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C3)cc1C ZINC001048525024 1020276363 /nfs/dbraw/zinc/27/63/63/1020276363.db2.gz GQOVKFHQYOAVKV-USYVTKNRSA-N 1 0 371.481 2.828 20 5 FFBDRO CCCC(=O)NC1CCN(Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)CC1 ZINC000777955368 1020319161 /nfs/dbraw/zinc/31/91/61/1020319161.db2.gz PSSKPMJRWPFOJW-UHFFFAOYSA-N 1 0 371.441 2.797 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2cnn(CN3CC[C@H](C[NH+]4CCCC4)C3)c2)c1 ZINC000777956301 1020328745 /nfs/dbraw/zinc/32/87/45/1020328745.db2.gz DSMYJGQNLQGCEP-MRXNPFEDSA-N 1 0 355.442 2.834 20 5 FFBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000777963459 1020332773 /nfs/dbraw/zinc/33/27/73/1020332773.db2.gz LRKRULMXVJTOFP-VQIMIIECSA-N 1 0 355.442 2.832 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)CN2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccccc2)cc1 ZINC000931492428 1020488866 /nfs/dbraw/zinc/48/88/66/1020488866.db2.gz XNFYSNQNHZPLDO-SLFFLAALSA-N 1 0 353.422 2.587 20 5 FFBDRO C[C@@H]1CCC[C@@H]([N@H+](C)CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000726586215 1020489071 /nfs/dbraw/zinc/48/90/71/1020489071.db2.gz IPFBARIZDAXWIR-ZIAGYGMSSA-N 1 0 360.414 2.831 20 5 FFBDRO COC(=O)c1ccc2c(cnn2C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000800866059 1020610023 /nfs/dbraw/zinc/61/00/23/1020610023.db2.gz QPVRQJQPPSSLCO-UHFFFAOYSA-N 1 0 368.393 2.863 20 5 FFBDRO O=c1c2cc(O[C@H]3CCC[NH2+]C[C@H]3F)c(O)cc2oc2cccc(O)c12 ZINC001217950223 1032915093 /nfs/dbraw/zinc/91/50/93/1032915093.db2.gz YGGWTJKGZHETQQ-RISCZKNCSA-N 1 0 359.353 2.826 20 5 FFBDRO CCOc1cc(C[NH+]2CCC([C@@]3(C)COC(=O)N3)CC2)ccc1[N+](=O)[O-] ZINC000932099968 1020706766 /nfs/dbraw/zinc/70/67/66/1020706766.db2.gz ZTWDUSBXSQXGTP-GOSISDBHSA-N 1 0 363.414 2.704 20 5 FFBDRO O=[N+]([O-])c1ccc(I)cc1O[C@H]1CCCC[NH2+]C1 ZINC001217970045 1032924720 /nfs/dbraw/zinc/92/47/20/1032924720.db2.gz HIJUWHROZPAMHZ-JTQLQIEISA-N 1 0 362.167 2.720 20 5 FFBDRO CN(C)c1cc[nH+]c(CN[C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)c1 ZINC000903199072 1020735178 /nfs/dbraw/zinc/73/51/78/1020735178.db2.gz SPGMKVQONLZWHV-SFHVURJKSA-N 1 0 366.425 2.669 20 5 FFBDRO C[NH+](C)CCN(Cc1ccccn1)C(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000932210813 1020743926 /nfs/dbraw/zinc/74/39/26/1020743926.db2.gz LWLCUPYOLOMSQH-MOPGFXCFSA-N 1 0 368.437 2.684 20 5 FFBDRO O=c1ccc2ncc(O[C@@H]3C[NH2+]CCC[C@@H]3F)c3c4ccccc4n1c32 ZINC001217984492 1032933515 /nfs/dbraw/zinc/93/35/15/1032933515.db2.gz NANSPHJBPNPWPU-XJKSGUPXSA-N 1 0 351.381 2.908 20 5 FFBDRO CC(C)C[C@H]1C[N@H+](C)CCN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000933245682 1020982658 /nfs/dbraw/zinc/98/26/58/1020982658.db2.gz HXKXMZWMTQZOGS-INIZCTEOSA-N 1 0 359.430 2.807 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C2CCN(Cc3ccccc3)CC2)c1 ZINC000749647563 1021017091 /nfs/dbraw/zinc/01/70/91/1021017091.db2.gz NWGNFVWEEYHAGB-HXUWFJFHSA-N 1 0 355.438 2.882 20 5 FFBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000933944558 1021118387 /nfs/dbraw/zinc/11/83/87/1021118387.db2.gz HWNPLBRVASAECB-ZYSHUDEJSA-N 1 0 357.454 2.889 20 5 FFBDRO C[C@@H]1CC[NH2+]CC[C@@H]1Oc1cc(O)cc2oc3c(O)ccc(O)c3c(=O)c12 ZINC001218029368 1032960648 /nfs/dbraw/zinc/96/06/48/1032960648.db2.gz CDABCUBHFQXCCJ-YGRLFVJLSA-N 1 0 371.389 2.830 20 5 FFBDRO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC001116507939 1021253609 /nfs/dbraw/zinc/25/36/09/1021253609.db2.gz WAOLZTXNTYFOJA-CHWSQXEVSA-N 1 0 357.357 2.799 20 5 FFBDRO CC[NH+](CC)C1CCN(C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC001116532744 1021268431 /nfs/dbraw/zinc/26/84/31/1021268431.db2.gz ZHSZKLWAZIRDCV-UHFFFAOYSA-N 1 0 350.419 2.942 20 5 FFBDRO O=[N+]([O-])c1ccc2c(ccn2Cc2nc([C@H]3C[NH+]4CCC3CC4)no2)c1 ZINC001116612092 1021309291 /nfs/dbraw/zinc/30/92/91/1021309291.db2.gz DPOJSYSQUUMSKF-HNNXBMFYSA-N 1 0 353.382 2.790 20 5 FFBDRO C[C@H]1CCN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])C[C@@H]1n1ccnc1 ZINC000934654450 1021323039 /nfs/dbraw/zinc/32/30/39/1021323039.db2.gz RXKFJJIZAFYAJO-GUYCJALGSA-N 1 0 360.389 2.973 20 5 FFBDRO O=[N+]([O-])c1ccc(I)c(O[C@@H]2CC[C@]23CC[NH2+]C3)c1 ZINC001218120062 1033008165 /nfs/dbraw/zinc/00/81/65/1033008165.db2.gz SNXSDUIEXIHEOM-CHWSQXEVSA-N 1 0 374.178 2.720 20 5 FFBDRO O=[N+]([O-])c1ccc(CN2CCC[C@H](n3ccnn3)C2)c(Br)c1 ZINC001118103126 1022070241 /nfs/dbraw/zinc/07/02/41/1022070241.db2.gz PUDGIMJTQHZNQK-ZDUSSCGKSA-N 1 0 366.219 2.786 20 5 FFBDRO O=C(OCc1ccc(F)cc1[N+](=O)[O-])[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001118391340 1022211333 /nfs/dbraw/zinc/21/13/33/1022211333.db2.gz KXQZVGARAMHKFS-SFHVURJKSA-N 1 0 374.368 2.678 20 5 FFBDRO C[NH+](C)[C@H](CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccccc1 ZINC000016599281 1022280733 /nfs/dbraw/zinc/28/07/33/1022280733.db2.gz CADTVIMAYZHGPP-MRXNPFEDSA-N 1 0 358.354 2.536 20 5 FFBDRO O=C(N1CCCC2(CC[NH2+]CC2)C1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC001118845113 1022434087 /nfs/dbraw/zinc/43/40/87/1022434087.db2.gz SHBFMSKKULEPBY-UHFFFAOYSA-N 1 0 369.368 2.559 20 5 FFBDRO CCC1([NH3+])CCN(C(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC001119315397 1022676024 /nfs/dbraw/zinc/67/60/24/1022676024.db2.gz JUYMHIQUHGPMEK-LLVKDONJSA-N 1 0 355.822 2.745 20 5 FFBDRO Cc1c(CC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)cccc1[N+](=O)[O-] ZINC000159711382 1022769712 /nfs/dbraw/zinc/76/97/12/1022769712.db2.gz DBBCTKLOGWLTLF-UHFFFAOYSA-N 1 0 368.437 2.836 20 5 FFBDRO CCCc1n[nH]c(C(=O)N2CCC(C(C)(C)C[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC001119633551 1022906168 /nfs/dbraw/zinc/90/61/68/1022906168.db2.gz PWGJORAMUXSTIK-UHFFFAOYSA-N 1 0 365.478 2.710 20 5 FFBDRO C[C@H]1CN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC[C@@H]1C[NH3+] ZINC001122211764 1023117025 /nfs/dbraw/zinc/11/70/25/1023117025.db2.gz YNAUQADYCAFACE-WDEREUQCSA-N 1 0 357.863 2.784 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)C[C@@H]2C1 ZINC001120284678 1023293701 /nfs/dbraw/zinc/29/37/01/1023293701.db2.gz ZGVLOEQKDVQXBF-YESZJQIVSA-N 1 0 370.453 2.738 20 5 FFBDRO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCCC[C@@]12CCC[NH2+]C2 ZINC001122508614 1023309915 /nfs/dbraw/zinc/30/99/15/1023309915.db2.gz LOKRBAFXKLFDPU-FQEVSTJZSA-N 1 0 372.469 2.943 20 5 FFBDRO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccnc(OCC[NH+](C)C)c1 ZINC000754410739 1023466100 /nfs/dbraw/zinc/46/61/00/1023466100.db2.gz UVOXVIPWTJFKTM-OWBHPGMISA-N 1 0 370.409 2.972 20 5 FFBDRO O=[N+]([O-])c1c2c(cc(Br)c1OCCO[C@@H]1CC[NH2+]C1)CCC2 ZINC001218395057 1033135592 /nfs/dbraw/zinc/13/55/92/1033135592.db2.gz TUVCHLSOLBHWGA-LLVKDONJSA-N 1 0 371.231 2.603 20 5 FFBDRO COC(=O)c1cc(Br)c(O[C@@H]2CC[C@@H](C)[NH2+]C2)c([N+](=O)[O-])c1 ZINC001218395126 1033135642 /nfs/dbraw/zinc/13/56/42/1033135642.db2.gz UEYBDIFKINXJQR-PSASIEDQSA-N 1 0 373.203 2.663 20 5 FFBDRO C[C@@H]1CC[C@H](Oc2ccc([N+](=O)[O-])c(I)c2)C[NH2+]1 ZINC001218398268 1033137963 /nfs/dbraw/zinc/13/79/63/1033137963.db2.gz KVEPWELXGNUNBL-SCZZXKLOSA-N 1 0 362.167 2.719 20 5 FFBDRO C[NH+](C)Cc1ccc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)cc1F ZINC000754870723 1023530239 /nfs/dbraw/zinc/53/02/39/1023530239.db2.gz FPJNPEBFCBFHQB-UHFFFAOYSA-N 1 0 361.329 2.777 20 5 FFBDRO O=C1[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CCN1c1c(F)cccc1F ZINC000755984810 1023656452 /nfs/dbraw/zinc/65/64/52/1023656452.db2.gz KVJUAUPJTFERRW-MRXNPFEDSA-N 1 0 361.348 2.811 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)c2nnc(-c3ccc([N+](=O)[O-])s3)n2C)[C@H](C)C1 ZINC001121269083 1023681288 /nfs/dbraw/zinc/68/12/88/1023681288.db2.gz YPQFFFMNFYFPAS-VXGBXAGGSA-N 1 0 364.475 2.618 20 5 FFBDRO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)[C@@H]2C1 ZINC001123302013 1023731495 /nfs/dbraw/zinc/73/14/95/1023731495.db2.gz VGULQNHDBBOSEU-MVWJERBFSA-N 1 0 370.356 2.658 20 5 FFBDRO O=[N+]([O-])c1cc(O[C@@H]2CC[C@H]3C[NH2+]C[C@H]32)ccc1I ZINC001218461827 1033166542 /nfs/dbraw/zinc/16/65/42/1033166542.db2.gz UKBQICSVMVSAGY-IYYTYJHQSA-N 1 0 374.178 2.576 20 5 FFBDRO O=[N+]([O-])c1ccc(O[C@@H]2CC[C@H]3C[NH2+]C[C@@H]32)cc1I ZINC001218463361 1033168659 /nfs/dbraw/zinc/16/86/59/1033168659.db2.gz BMJGBJHYSXEHGA-GMOODISLSA-N 1 0 374.178 2.576 20 5 FFBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000191663476 1023889840 /nfs/dbraw/zinc/88/98/40/1023889840.db2.gz NUKGEZFAKAHBBW-MRXNPFEDSA-N 1 0 354.410 2.571 20 5 FFBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000758333648 1024051982 /nfs/dbraw/zinc/05/19/82/1024051982.db2.gz IBKWGNVHDYLNJH-RDTXWAMCSA-N 1 0 372.469 2.798 20 5 FFBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)CCc3ccc([N+](=O)[O-])cc3Cl)C[C@@H]21 ZINC001121932268 1024181543 /nfs/dbraw/zinc/18/15/43/1024181543.db2.gz WQQJEZBEQVDYRA-DUVNUKRYSA-N 1 0 351.834 2.767 20 5 FFBDRO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)[C@H]2C1 ZINC001124025340 1024232937 /nfs/dbraw/zinc/23/29/37/1024232937.db2.gz LHIPJEDIMDSCFM-VHFSOBRXSA-N 1 0 361.445 2.751 20 5 FFBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](CC[NH3+])c2ccccc21 ZINC001122191247 1024419614 /nfs/dbraw/zinc/41/96/14/1024419614.db2.gz VIMFTWPXOQRXHK-ZDUSSCGKSA-N 1 0 354.410 2.754 20 5 FFBDRO C[C@@H]1C[C@@H](NC(=O)c2ccc(N)c([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000079945148 1024422260 /nfs/dbraw/zinc/42/22/60/1024422260.db2.gz BXUXZKUKBQEZPH-PBHICJAKSA-N 1 0 368.437 2.960 20 5 FFBDRO O=[N+]([O-])c1cccnc1NCCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000717941138 1025226107 /nfs/dbraw/zinc/22/61/07/1025226107.db2.gz XTGCDPWOJJCLEQ-UHFFFAOYSA-N 1 0 356.426 2.819 20 5 FFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@]1(O)CCc2ccccc21 ZINC000090795691 1026440021 /nfs/dbraw/zinc/44/00/21/1026440021.db2.gz IEPVORXCKGZULJ-XOBRGWDASA-N 1 0 369.421 2.736 20 5 FFBDRO O=C1CN(C[NH+]2CCCCCCCC2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000840134390 1026975928 /nfs/dbraw/zinc/97/59/28/1026975928.db2.gz RRZGSJIXMURFEA-UHFFFAOYSA-N 1 0 360.414 2.977 20 5 FFBDRO COC(=O)[C@]12CC[NH2+][C@@H]1CN(c1ccc3ccc4cccnc4c3n1)CC2 ZINC001158635896 1027081767 /nfs/dbraw/zinc/08/17/67/1027081767.db2.gz JNORUPOPABVZIM-IERDGZPVSA-N 1 0 362.433 2.514 20 5 FFBDRO [NH3+]Cc1ccc2nnn(-c3ccc4c(ccc(Cl)c4[N+](=O)[O-])n3)c2c1 ZINC001159029226 1027235863 /nfs/dbraw/zinc/23/58/63/1027235863.db2.gz MYKQTKZAJVRRBR-UHFFFAOYSA-N 1 0 354.757 2.989 20 5 FFBDRO Cc1ccc(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc1[N+](=O)[O-] ZINC001159188004 1027301940 /nfs/dbraw/zinc/30/19/40/1027301940.db2.gz KBMREIRTZFNLHL-DZFIZOCASA-N 1 0 351.406 2.763 20 5 FFBDRO COC(=O)c1cnc(-n2c(-c3ccccc3)cnc2[C@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC001159592544 1027438918 /nfs/dbraw/zinc/43/89/18/1027438918.db2.gz YBQAXUXFFLEXNG-NSHDSACASA-N 1 0 367.365 2.649 20 5 FFBDRO O=[N+]([O-])c1c(NCc2cccc3sccc32)ncnc1N1CC[NH2+]CC1 ZINC001160185020 1027628045 /nfs/dbraw/zinc/62/80/45/1027628045.db2.gz ARUGSYWCKCLNEJ-UHFFFAOYSA-N 1 0 370.438 2.621 20 5 FFBDRO [NH3+]C[C@H]1COc2ccccc2N1C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1 ZINC001160196890 1027633270 /nfs/dbraw/zinc/63/32/70/1027633270.db2.gz YRICGYUJCMOCGT-JTQLQIEISA-N 1 0 370.743 2.919 20 5 FFBDRO [NH3+]C[C@@H]1COc2ccccc2N1c1ccc(-c2ccccc2[N+](=O)[O-])nn1 ZINC001160200323 1027635163 /nfs/dbraw/zinc/63/51/63/1027635163.db2.gz NBGRZNCHFDCDMD-CYBMUJFWSA-N 1 0 363.377 2.910 20 5 FFBDRO CCOC(=O)c1cc(Nc2cccc3c2[C@@H]2C[NH2+]C[C@@H]2O3)cc([N+](=O)[O-])c1 ZINC001160394321 1027692630 /nfs/dbraw/zinc/69/26/30/1027692630.db2.gz HGNQPVVBTOYLBU-PBHICJAKSA-N 1 0 369.377 2.963 20 5 FFBDRO COC(=O)c1cnc(Nc2ccc(C[NH3+])cc2C(F)(F)F)c([N+](=O)[O-])c1 ZINC001160417363 1027698358 /nfs/dbraw/zinc/69/83/58/1027698358.db2.gz BYNCCWMZHOSCFL-UHFFFAOYSA-N 1 0 370.287 2.998 20 5 FFBDRO COc1cc2ncnc(N[C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)c2cc1[N+](=O)[O-] ZINC001160473384 1027722156 /nfs/dbraw/zinc/72/21/56/1027722156.db2.gz YAPLKINSMNNIMS-XYYAHUGASA-N 1 0 357.414 2.974 20 5 FFBDRO Nc1cc(N[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2[NH3+])ncc1[N+](=O)[O-] ZINC001160636378 1027781194 /nfs/dbraw/zinc/78/11/94/1027781194.db2.gz WDPDUFXUTZCBLU-JSRAGOMMSA-N 1 0 373.416 2.971 20 5 FFBDRO O=[N+]([O-])c1ccc(C(F)(F)N[C@H]2CC[NH2+]C[C@H]2C(F)(F)F)nc1Cl ZINC001160739100 1027846955 /nfs/dbraw/zinc/84/69/55/1027846955.db2.gz VZGOBJDJRHEQSF-RQJHMYQMSA-N 1 0 374.697 2.823 20 5 FFBDRO CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c(F)cc2C)C[C@@H]1[NH+]1CCCC1 ZINC001153677319 1027956171 /nfs/dbraw/zinc/95/61/71/1027956171.db2.gz YXFBYMLICMKMMV-JKSUJKDBSA-N 1 0 367.446 2.694 20 5 FFBDRO [NH3+][C@H]1CC[C@H](N(c2nc(Cl)c(Cl)cc2[N+](=O)[O-])C2COC2)CC1 ZINC001161276345 1028108979 /nfs/dbraw/zinc/10/89/79/1028108979.db2.gz ADLAXEMCTRKHJC-KYZUINATSA-N 1 0 361.229 2.772 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(OC(C)C)cc1NCCC[NH+]1CCN(C)CC1 ZINC001161711464 1028292436 /nfs/dbraw/zinc/29/24/36/1028292436.db2.gz NJCSPKKMSORGRY-UHFFFAOYSA-N 1 0 350.463 2.740 20 5 FFBDRO C[NH+](C)CC[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC001154642432 1028387747 /nfs/dbraw/zinc/38/77/47/1028387747.db2.gz FDISHGKKCOMTKN-NSHDSACASA-N 1 0 357.357 2.610 20 5 FFBDRO COc1cccc(CC2([NH3+])CCN(c3ncc([N+](=O)[O-])cc3F)CC2)c1 ZINC001162047527 1028412822 /nfs/dbraw/zinc/41/28/22/1028412822.db2.gz BRFLARXTPXDAGA-UHFFFAOYSA-N 1 0 360.389 2.678 20 5 FFBDRO [NH3+]Cc1nc2cnccc2n1-c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC001162219832 1028471847 /nfs/dbraw/zinc/47/18/47/1028471847.db2.gz FEIVSKHKSXYDJZ-UHFFFAOYSA-N 1 0 364.340 2.989 20 5 FFBDRO CC(=O)Nc1cc(N[C@H]2CCC[C@@H]([NH3+])C2)c([N+](=O)[O-])cc1Br ZINC001162403172 1028532746 /nfs/dbraw/zinc/53/27/46/1028532746.db2.gz CGNPQYMWDUDNIY-ZJUUUORDSA-N 1 0 371.235 2.998 20 5 FFBDRO COC(=O)c1c(C)c([N+](=O)[O-])ccc1NCc1ccc2c(c1)CC[NH2+]C2 ZINC001162814700 1028668653 /nfs/dbraw/zinc/66/86/53/1028668653.db2.gz BVLRNBLZHXTWKP-UHFFFAOYSA-N 1 0 355.394 2.948 20 5 FFBDRO [NH3+][C@H]1COC[C@H]1Nc1ccc2ccc3ccc(Br)nc3c2n1 ZINC001162925159 1028710927 /nfs/dbraw/zinc/71/09/27/1028710927.db2.gz PLCZSBGHJWIVNZ-NWDGAFQWSA-N 1 0 359.227 2.684 20 5 FFBDRO CN1CCc2c(NC[C@H]3CCC4(CC[NH2+]CC4)CO3)ccc([N+](=O)[O-])c2C1 ZINC001162966714 1028738150 /nfs/dbraw/zinc/73/81/50/1028738150.db2.gz IHCYFZQXQWXJEQ-OAHLLOKOSA-N 1 0 374.485 2.543 20 5 FFBDRO CCOC(=O)c1cccc([N+](=O)[O-])c1NCC[C@H]1C[NH2+]Cc2cccn2C1 ZINC001163061070 1028780381 /nfs/dbraw/zinc/78/03/81/1028780381.db2.gz RRKHITBZQCRPTQ-AWEZNQCLSA-N 1 0 372.425 2.795 20 5 FFBDRO C[C@@H]1CN(c2c3cc(F)ccc3ncc2[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC001163069898 1028785918 /nfs/dbraw/zinc/78/59/18/1028785918.db2.gz SBNWJTKEQHXNKE-GFCCVEGCSA-N 1 0 362.405 2.564 20 5 FFBDRO COc1c([N+](=O)[O-])cc(Cl)c(C)c1NCC[C@H]1CCOC12C[NH2+]C2 ZINC001163095908 1028794623 /nfs/dbraw/zinc/79/46/23/1028794623.db2.gz YGVVAXHFKDDFMU-NSHDSACASA-N 1 0 355.822 2.746 20 5 FFBDRO O=[N+]([O-])c1ccc2c(ccnc2-n2c3ccccc3nc2N2CC[NH2+]CC2)c1 ZINC001155604293 1028813341 /nfs/dbraw/zinc/81/33/41/1028813341.db2.gz HVXADIBUUOTJIH-UHFFFAOYSA-N 1 0 374.404 2.892 20 5 FFBDRO O=[N+]([O-])c1cc(-c2ccc(N[C@@H]3CCO[C@]4(CC[NH2+]C4)C3)nn2)ccc1F ZINC001155624821 1028823059 /nfs/dbraw/zinc/82/30/59/1028823059.db2.gz IXHFYJRZOIRLEM-FZKQIMNGSA-N 1 0 373.388 2.514 20 5 FFBDRO O=[N+]([O-])c1cc(N[C@@H]2CCO[C@@]3(CC[NH2+]C3)C2)c2ncnc(Cl)c2c1 ZINC001155635314 1028828843 /nfs/dbraw/zinc/82/88/43/1028828843.db2.gz IOXHFUJLPCJLLQ-HWPZZCPQSA-N 1 0 363.805 2.514 20 5 FFBDRO O=[N+]([O-])c1cnc(-n2c3ccccc3nc2C2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC001163760506 1029050988 /nfs/dbraw/zinc/05/09/88/1029050988.db2.gz SKHOANNJIWAXBP-UHFFFAOYSA-N 1 0 368.353 2.704 20 5 FFBDRO O=[N+]([O-])c1ccc2ncc(-n3ccc4cc(N5CC[NH2+]CC5)ccc43)nc2c1 ZINC001156207199 1029091532 /nfs/dbraw/zinc/09/15/32/1029091532.db2.gz VCXIWPRRKWRUMS-UHFFFAOYSA-N 1 0 374.404 2.892 20 5 FFBDRO CCOc1nc(-n2cncc2C[NH2+]Cc2ccccc2)ccc1[N+](=O)[O-] ZINC001156496614 1029217369 /nfs/dbraw/zinc/21/73/69/1029217369.db2.gz PABIVJBWQSUHJA-UHFFFAOYSA-N 1 0 353.382 2.864 20 5 FFBDRO COCCC[NH+]1CCN(c2nc3ccccc3c(Cl)c2[N+](=O)[O-])CC1 ZINC001165097522 1029386295 /nfs/dbraw/zinc/38/62/95/1029386295.db2.gz KOKUHTXITFYPNI-UHFFFAOYSA-N 1 0 364.833 2.955 20 5 FFBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1NCCC[N@@H+]1CCCC[C@@H]1C ZINC001156928915 1029409730 /nfs/dbraw/zinc/40/97/30/1029409730.db2.gz QXBXIGOOSTVOPJ-ZDUSSCGKSA-N 1 0 350.419 2.843 20 5 FFBDRO CN(CC[NH+]1CCCC1)c1nc(C(F)(F)F)nc(Cl)c1[N+](=O)[O-] ZINC001165141901 1029418669 /nfs/dbraw/zinc/41/86/69/1029418669.db2.gz QLWWWQCAFOTVIQ-UHFFFAOYSA-N 1 0 353.732 2.589 20 5 FFBDRO O=[N+]([O-])c1cccc2nc(N(c3cnccn3)C3CC[NH2+]CC3)ccc21 ZINC001157541165 1029612476 /nfs/dbraw/zinc/61/24/76/1029612476.db2.gz INPWECFYCRTQLY-UHFFFAOYSA-N 1 0 350.382 2.823 20 5 FFBDRO COc1cc(N(c2ncc(Cl)cc2[N+](=O)[O-])C2CC[NH2+]CC2)ccn1 ZINC001158325770 1029798484 /nfs/dbraw/zinc/79/84/84/1029798484.db2.gz RYEAYMNPEUXINW-UHFFFAOYSA-N 1 0 363.805 2.937 20 5 FFBDRO C[N@H+](C1CN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)C1)[C@@H]1CCOC1 ZINC001165205979 1029893366 /nfs/dbraw/zinc/89/33/66/1029893366.db2.gz COFYYUSKPWKMPA-OAHLLOKOSA-N 1 0 372.400 2.705 20 5 FFBDRO C[C@@H]([NH2+][C@@H](COC(N)=O)Cc1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000840863477 1029896771 /nfs/dbraw/zinc/89/67/71/1029896771.db2.gz JJYASAIMZDCOIL-IUODEOHRSA-N 1 0 358.398 2.948 20 5 FFBDRO CC(C)Oc1nc(N2C[C@H]3c4ccccc4C[NH2+][C@@H]3C2)ccc1[N+](=O)[O-] ZINC001165351337 1029954634 /nfs/dbraw/zinc/95/46/34/1029954634.db2.gz SQGVALIVHWCIJE-JKSUJKDBSA-N 1 0 354.410 2.853 20 5 FFBDRO [NH2+]=c1ccc2nc3c(cc(NC(=O)Cn4cncn4)c4ccccc43)oc-2c1 ZINC001142129817 1030071170 /nfs/dbraw/zinc/07/11/70/1030071170.db2.gz AHOZFHBNIJQRIN-UHFFFAOYSA-N 1 0 370.372 2.795 20 5 FFBDRO [NH3+]CCc1nccn1-c1cc([N+](=O)[O-])cc2cc(Br)cnc21 ZINC001166369699 1030388726 /nfs/dbraw/zinc/38/87/26/1030388726.db2.gz IKJORNDHADCLCF-UHFFFAOYSA-N 1 0 362.187 2.592 20 5 FFBDRO CCOc1cc([N+](=O)[O-])ccc1N(c1cccc(C[NH3+])c1)S(C)(=O)=O ZINC001166470237 1030413696 /nfs/dbraw/zinc/41/36/96/1030413696.db2.gz CYZWNWFUNSJAQB-UHFFFAOYSA-N 1 0 365.411 2.550 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@H]1COC3(CCOCC3)O1)CCCC2 ZINC000841754377 1030446744 /nfs/dbraw/zinc/44/67/44/1030446744.db2.gz QBBSHFQOJFRDLJ-WMZOPIPTSA-N 1 0 362.426 2.874 20 5 FFBDRO N=c1nc([C@H]2CCC[NH2+]2)ccn1-c1nc2ccccc2c(Cl)c1[N+](=O)[O-] ZINC001166701149 1030486681 /nfs/dbraw/zinc/48/66/81/1030486681.db2.gz OLQMMJQQMHEMIF-GFCCVEGCSA-N 1 0 370.800 2.886 20 5 FFBDRO [NH3+][C@H]1CCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC1(F)F ZINC001166962237 1030591515 /nfs/dbraw/zinc/59/15/15/1030591515.db2.gz UFDATTWDUKYPCZ-ZDUSSCGKSA-N 1 0 352.316 2.969 20 5 FFBDRO Cc1ccc(N(C)[C@@H]2CCC[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)cc1 ZINC000784375010 1030593978 /nfs/dbraw/zinc/59/39/78/1030593978.db2.gz PHXWMUGDEHNUKG-GOSISDBHSA-N 1 0 370.453 2.666 20 5 FFBDRO C/C(=C/C(=O)N1CCN(c2cc[nH+]cc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000784593534 1030704181 /nfs/dbraw/zinc/70/41/81/1030704181.db2.gz FPZXXFDUNRNDSD-PFONDFGASA-N 1 0 352.394 2.742 20 5 FFBDRO C[C@@H]1CC2(C[N@@H+]1Cn1cnc(-c3ccc([N+](=O)[O-])cc3)n1)CCOCC2 ZINC000842640073 1030870873 /nfs/dbraw/zinc/87/08/73/1030870873.db2.gz ULDRCBYASZDQKW-CQSZACIVSA-N 1 0 357.414 2.702 20 5 FFBDRO O=C(NC1CC[NH+](CC2CCCCC2)CC1)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001142880852 1030992247 /nfs/dbraw/zinc/99/22/47/1030992247.db2.gz RCGCHYBIUJKBMX-UHFFFAOYSA-N 1 0 369.853 2.746 20 5 FFBDRO O=C(CCN1CC[NH2+]CC12CCCCC2)Nc1cc([N+](=O)[O-])ccc1F ZINC000843360899 1031351552 /nfs/dbraw/zinc/35/15/52/1031351552.db2.gz WRORKSGJBSAIOP-UHFFFAOYSA-N 1 0 364.421 2.671 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)C[C@@]2(O)CCc3ccccc32)c1 ZINC000843421482 1031395175 /nfs/dbraw/zinc/39/51/75/1031395175.db2.gz PYSLCHLRJPVUAG-FQEVSTJZSA-N 1 0 370.405 2.647 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])cc1F)N1CC[NH2+][C@H](Cc2ccc(F)cc2)C1 ZINC001149535157 1031533161 /nfs/dbraw/zinc/53/31/61/1031533161.db2.gz MWPDZVJPNYZLKD-CQSZACIVSA-N 1 0 361.348 2.530 20 5 FFBDRO C[C@@H]1C[C@@H]2CC[C@H](C(=O)NCc3cc([N+](=O)[O-])ccc3Cl)C[N@@H+]2C1 ZINC001150828043 1031790704 /nfs/dbraw/zinc/79/07/04/1031790704.db2.gz WEGAMYCAMSUKQV-DYEKYZERSA-N 1 0 351.834 2.985 20 5 FFBDRO O=C([C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)N1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001150941428 1031817097 /nfs/dbraw/zinc/81/70/97/1031817097.db2.gz DYEZXFHIJCGWFS-DFQSSKMNSA-N 1 0 365.433 2.741 20 5 FFBDRO C[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(N2CCNC2=O)cc1 ZINC000829743380 1033317816 /nfs/dbraw/zinc/31/78/16/1033317816.db2.gz AIARKVOBBLKKMS-SCLBCKFNSA-N 1 0 370.409 2.509 20 5 FFBDRO CCN(CCC[NH+]1CCCC1)C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000830185233 1033498331 /nfs/dbraw/zinc/49/83/31/1033498331.db2.gz XHXVXBRZSYFVBE-UHFFFAOYSA-N 1 0 366.437 2.748 20 5 FFBDRO O=C(N[C@H]1C[C@H](C[NH2+]C/C=C/c2ccc(Cl)cc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001276977534 1033916428 /nfs/dbraw/zinc/91/64/28/1033916428.db2.gz UVBWPCGMNOQYQD-YOBUMDGBSA-N 1 0 363.845 2.503 20 5 FFBDRO Cc1ccc2c(=O)c3cccc(CC(=O)N[C@H]4CCC[NH2+]C4)c3oc2c1C ZINC001220887274 1034442323 /nfs/dbraw/zinc/44/23/23/1034442323.db2.gz YTNXSYRMZXGHPF-INIZCTEOSA-N 1 0 364.445 2.974 20 5 FFBDRO COC(=O)c1cc(OC)c(OC2CCC([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC001226365288 1034651315 /nfs/dbraw/zinc/65/13/15/1034651315.db2.gz XJNHWZSZAKBUMT-UHFFFAOYSA-N 1 0 352.387 2.642 20 5 FFBDRO Nc1cc(O[C@@H](C[N+](=O)[O-])c2ccc3c(c2)OCO3)c2ccccc2[nH+]1 ZINC001226422661 1034677266 /nfs/dbraw/zinc/67/72/66/1034677266.db2.gz NZYJZNIFJBSVEB-KRWDZBQOSA-N 1 0 353.334 2.943 20 5 FFBDRO COC(=O)c1cc(OC)c(OC2CC[NH+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC001226430316 1034681535 /nfs/dbraw/zinc/68/15/35/1034681535.db2.gz GKBIEPKFINDHOR-UHFFFAOYSA-N 1 0 352.387 2.642 20 5 FFBDRO Cc1nnc(CNC(=O)[C@@H]([NH3+])Cc2c3ccccc3cc3ccccc32)[nH]1 ZINC001221410321 1034721513 /nfs/dbraw/zinc/72/15/13/1034721513.db2.gz XTKOHUSWBJJBMF-IBGZPJMESA-N 1 0 359.433 2.606 20 5 FFBDRO Cc1cc(OCC(=O)NC2CCC(C)([NH+]3CCC3)CC2)ccc1[N+](=O)[O-] ZINC000834780162 1035448224 /nfs/dbraw/zinc/44/82/24/1035448224.db2.gz HFLCPJYWDKAFJS-UHFFFAOYSA-N 1 0 361.442 2.805 20 5 FFBDRO COc1cc(O[C@H](C)C[NH+](C)C)c2c(c1)oc1c(O)ccc(O)c1c2=O ZINC001227645823 1035653412 /nfs/dbraw/zinc/65/34/12/1035653412.db2.gz JTFHTPWTHHPSOJ-SNVBAGLBSA-N 1 0 359.378 2.695 20 5 FFBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Oc1ncc([N+](=O)[O-])c2nc[nH]c21 ZINC001227695010 1035679139 /nfs/dbraw/zinc/67/91/39/1035679139.db2.gz JWGRKWPYYMHQAP-WFASDCNBSA-N 1 0 353.382 2.765 20 5 FFBDRO COc1cccc(CCc2ccccc2OC(=O)C[C@@H](O)C[N+](C)(C)C)c1 ZINC001228084385 1035919847 /nfs/dbraw/zinc/91/98/47/1035919847.db2.gz KFGGVWUXIOGISS-LJQANCHMSA-N 1 0 372.485 2.843 20 5 FFBDRO CCOC(=O)c1cc(Cl)cc(NC(C)=O)c1O[C@H](C)C[N+](C)(C)C ZINC001229247019 1036574871 /nfs/dbraw/zinc/57/48/71/1036574871.db2.gz WMVKVCMDJXRCJQ-LLVKDONJSA-O 1 0 357.858 2.949 20 5 FFBDRO CO[C@@H]1CC[N@H+](CCOc2ccc3c(c2)oc2cc(O)ccc2c3=O)C1 ZINC001229515614 1036715015 /nfs/dbraw/zinc/71/50/15/1036715015.db2.gz XLMYJKYFRFMTCV-OAHLLOKOSA-N 1 0 355.390 2.751 20 5 FFBDRO C[NH+]1CCC2(CC[C@H](COc3ccc([N+](=O)[O-])c([N+](=O)[O-])c3)O2)CC1 ZINC001233705401 1036726141 /nfs/dbraw/zinc/72/61/41/1036726141.db2.gz XJPNCWBRKANRKC-CYBMUJFWSA-N 1 0 351.359 2.525 20 5 FFBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cc(O)cc(/C=C/c2ccccc2)c1 ZINC001229668775 1036816366 /nfs/dbraw/zinc/81/63/66/1036816366.db2.gz BFSQWTKUCQPEKK-JBVUFVISSA-O 1 0 356.442 2.925 20 5 FFBDRO C[N@@H+]1CCc2c(cccc2O[C@H](C[N+](=O)[O-])c2ccc3c(c2)OCO3)C1 ZINC001234425773 1037032598 /nfs/dbraw/zinc/03/25/98/1037032598.db2.gz YIYLDLLXMQPNAP-LJQANCHMSA-N 1 0 356.378 2.800 20 5 FFBDRO COc1c(O[C@H]2CCC[N@H+](C)C2)c2nccc3c4ccccc4n(c32)c1=O ZINC001234719063 1037154885 /nfs/dbraw/zinc/15/48/85/1037154885.db2.gz XRQSJYNZSMKDGZ-ZDUSSCGKSA-N 1 0 363.417 2.920 20 5 FFBDRO CC1(C)CC[N@H+](CCNC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC001230367625 1037253312 /nfs/dbraw/zinc/25/33/12/1037253312.db2.gz FQBMZLBCIVHWSK-UHFFFAOYSA-N 1 0 354.838 2.779 20 5 FFBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc2cc(C(F)(F)F)cnc2c1 ZINC001231142727 1037483937 /nfs/dbraw/zinc/48/39/37/1037483937.db2.gz LUVSIMUCRPSZME-CYBMUJFWSA-N 1 0 357.352 2.616 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC001208345692 1038235155 /nfs/dbraw/zinc/23/51/55/1038235155.db2.gz YGPXURCCNYRSCE-GXTWGEPZSA-N 1 0 369.487 2.610 20 5 FFBDRO COc1cc(N2CCC([NH2+]CCCCCCO)CC2)ccc1[N+](=O)[O-] ZINC001256083517 1038368949 /nfs/dbraw/zinc/36/89/49/1038368949.db2.gz RGOQTNGGHAIAIS-UHFFFAOYSA-N 1 0 351.447 2.715 20 5 FFBDRO COc1cc(N2CCC([N@@H+]3CCCC(=O)[C@H](C)C3)CC2)ccc1[N+](=O)[O-] ZINC001256093974 1038380553 /nfs/dbraw/zinc/38/05/53/1038380553.db2.gz UEIKUNXIUWLNMU-CQSZACIVSA-N 1 0 361.442 2.873 20 5 FFBDRO COc1cc(N2CCC([N@@H+]3C[C@H](C)N(C)C[C@H]3C)CC2)ccc1[N+](=O)[O-] ZINC001256097359 1038381564 /nfs/dbraw/zinc/38/15/64/1038381564.db2.gz ZWLCOHBAWUHOAR-LSDHHAIUSA-N 1 0 362.474 2.597 20 5 FFBDRO COc1cc(N2CCC([N@@H+]3CCOC[C@H]3C(C)C)CC2)ccc1[N+](=O)[O-] ZINC001256100606 1038383530 /nfs/dbraw/zinc/38/35/30/1038383530.db2.gz LPQXBMMXJQQQQH-SFHVURJKSA-N 1 0 363.458 2.929 20 5 FFBDRO CCC1(O)CC[NH+](C2CCN(c3ccc([N+](=O)[O-])c(OC)c3)CC2)CC1 ZINC001256100913 1038383994 /nfs/dbraw/zinc/38/39/94/1038383994.db2.gz UMWFEQGLOPNLNM-UHFFFAOYSA-N 1 0 363.458 2.809 20 5 FFBDRO COC(=O)c1ccc(-c2nc3cc(C[NH+](C)C)ccc3[nH]2)c([N+](=O)[O-])c1 ZINC001251132699 1038961030 /nfs/dbraw/zinc/96/10/30/1038961030.db2.gz OHXFIMBAPUAADD-UHFFFAOYSA-N 1 0 354.366 2.986 20 5 FFBDRO C[C@@H]1C[NH+](CCc2nnc(-c3cccc([N+](=O)[O-])c3Cl)o2)C[C@@H](C)O1 ZINC001258139694 1039220808 /nfs/dbraw/zinc/22/08/08/1039220808.db2.gz VOPNXQVKSKMSDC-GHMZBOCLSA-N 1 0 366.805 2.950 20 5 FFBDRO C[C@@H]1C[NH+](CCc2nnc(-c3cc(Cl)cc([N+](=O)[O-])c3)o2)C[C@@H](C)O1 ZINC001258150656 1039230752 /nfs/dbraw/zinc/23/07/52/1039230752.db2.gz AUOQCAWXKLONLC-GHMZBOCLSA-N 1 0 366.805 2.950 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@@H]1CCCC[C@@]13CNCCO3)CC2 ZINC001246160896 1039262630 /nfs/dbraw/zinc/26/26/30/1039262630.db2.gz PXADDQOZKFYWBY-DFQSSKMNSA-N 1 0 359.470 2.733 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CCC[C@]3(CC[NH2+]C3)C2)c1F ZINC001246626658 1039420530 /nfs/dbraw/zinc/42/05/30/1039420530.db2.gz HGPSFURMHCPGSW-SCLBCKFNSA-N 1 0 351.422 2.749 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CC[NH2+]C[C@@H]2C(F)(F)F)c1F ZINC001246993450 1039566814 /nfs/dbraw/zinc/56/68/14/1039566814.db2.gz TWKCBTMPBISCID-NOZJJQNGSA-N 1 0 365.327 2.510 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CC[NH2+]C[C@H]2C(F)(F)F)c1F ZINC001246993452 1039567630 /nfs/dbraw/zinc/56/76/30/1039567630.db2.gz TWKCBTMPBISCID-RNCFNFMXSA-N 1 0 365.327 2.510 20 5 FFBDRO COc1c(F)cccc1-c1noc(C[C@H]([NH3+])Cc2ccc([N+](=O)[O-])cc2)n1 ZINC001248216920 1040177827 /nfs/dbraw/zinc/17/78/27/1040177827.db2.gz UDDTWWOSJZYRGZ-GFCCVEGCSA-N 1 0 372.356 2.905 20 5 FFBDRO COc1ccccc1-c1noc(C[C@H]([NH3+])Cc2ccc([N+](=O)[O-])cc2)n1 ZINC001248217842 1040177847 /nfs/dbraw/zinc/17/78/47/1040177847.db2.gz ZUYYBTVFZOBFMS-CYBMUJFWSA-N 1 0 354.366 2.766 20 5 FFBDRO [NH3+][C@H](Cc1nc(-c2ccc3c(c2)OCO3)no1)c1cccc([N+](=O)[O-])c1 ZINC001249278304 1040664336 /nfs/dbraw/zinc/66/43/36/1040664336.db2.gz ZJHQWIJVYSWMBT-CYBMUJFWSA-N 1 0 354.322 2.616 20 5 FFBDRO [NH3+][C@H](Cc1nc(-c2cccc3ccnn32)no1)c1cccc([N+](=O)[O-])c1 ZINC001249279000 1040665127 /nfs/dbraw/zinc/66/51/27/1040665127.db2.gz RWFDGKFRACESKH-CQSZACIVSA-N 1 0 350.338 2.535 20 5 FFBDRO Cn1cc2cccc(-c3noc(C[C@@H]([NH3+])c4ccc([N+](=O)[O-])cc4)n3)c2n1 ZINC001249341818 1040691887 /nfs/dbraw/zinc/69/18/87/1040691887.db2.gz BZUJXZHWRLSZNL-OAHLLOKOSA-N 1 0 364.365 2.774 20 5 FFBDRO COC(=O)c1cccnc1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254469597 1040735697 /nfs/dbraw/zinc/73/56/97/1040735697.db2.gz RGWMCXVHTXHZRB-UHFFFAOYSA-N 1 0 370.409 2.535 20 5 FFBDRO C[N@H+]([C@H]1CCC2(C1)OCCO2)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254484000 1040749328 /nfs/dbraw/zinc/74/93/28/1040749328.db2.gz ZYPNRFMIMYXSLF-SFHVURJKSA-N 1 0 361.442 2.791 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCn2cc(C[NH+]3CCCC3)nc2C1 ZINC001254562525 1040800649 /nfs/dbraw/zinc/80/06/49/1040800649.db2.gz SKVCRQOERHWVKP-MRXNPFEDSA-N 1 0 369.469 2.834 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N1CC[NH+](CCc2ccccn2)CC1 ZINC001254563601 1040801755 /nfs/dbraw/zinc/80/17/55/1040801755.db2.gz ZJAAUQVBPAEOJA-QGZVFWFLSA-N 1 0 354.454 2.781 20 5 FFBDRO CC(C)(C)OC(=O)N1CC[C@@H](C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254566953 1040806135 /nfs/dbraw/zinc/80/61/35/1040806135.db2.gz LNKJIJMZJXHOLO-XJKSGUPXSA-N 1 0 361.442 2.909 20 5 FFBDRO CCC1=NC2(CC[NH+]([C@H](C)Cc3ccccc3[N+](=O)[O-])CC2)C(=O)N1C ZINC001254570871 1040807122 /nfs/dbraw/zinc/80/71/22/1040807122.db2.gz QGIMRUHSXUIFIC-CQSZACIVSA-N 1 0 358.442 2.641 20 5 FFBDRO CC(C)(C)OC(=O)N1C[C@@H]2[C@H]([NH2+][C@H]3Cc4ccc([N+](=O)[O-])cc4C3)[C@@H]2C1 ZINC001254572322 1040807354 /nfs/dbraw/zinc/80/73/54/1040807354.db2.gz KZLSBKYPECGSIA-LLLHUVSDSA-N 1 0 359.426 2.517 20 5 FFBDRO COC(=O)c1cnc2c(c1)C[N@H+]([C@@H](C)Cc1ccccc1[N+](=O)[O-])CC2 ZINC001254570661 1040807961 /nfs/dbraw/zinc/80/79/61/1040807961.db2.gz PHIKDFJYTLIFKM-ZDUSSCGKSA-N 1 0 355.394 2.766 20 5 FFBDRO C[C@@H]([NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC001254581274 1040815102 /nfs/dbraw/zinc/81/51/02/1040815102.db2.gz NMAOJAXZLRUUAJ-WBMJQRKESA-N 1 0 361.442 2.907 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CCn3cnc(COCC4CC4)c3C1)C2 ZINC001254595569 1040825149 /nfs/dbraw/zinc/82/51/49/1040825149.db2.gz ITNQHLQCSYTRML-GOSISDBHSA-N 1 0 368.437 2.701 20 5 FFBDRO O=C(c1ccco1)N1C[C@H]2C[C@@H](C1)[N@H+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254597387 1040828211 /nfs/dbraw/zinc/82/82/11/1040828211.db2.gz DBOVDLIWQNRZGG-BVGQSLNGSA-N 1 0 367.405 2.502 20 5 FFBDRO O=C1N(CC2CC2)CC[C@@]12CCC[N@@H+]([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254599400 1040829710 /nfs/dbraw/zinc/82/97/10/1040829710.db2.gz YURVOZWMEHPHSZ-TZIWHRDSSA-N 1 0 369.465 2.787 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH+]1CCN(c3ccc(Cl)cn3)CC1)C2 ZINC001254604035 1040834328 /nfs/dbraw/zinc/83/43/28/1040834328.db2.gz SVLJGGDPVNXCFS-KRWDZBQOSA-N 1 0 358.829 2.933 20 5 FFBDRO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cc([N+](=O)[O-])ccc3N3CCCCC3)[C@@H]2C1 ZINC001538046058 1070324072 /nfs/dbraw/zinc/32/40/72/1070324072.db2.gz GUMXWPGOKJRZEV-QGTPRVQTSA-N 1 0 372.469 2.655 20 5 FFBDRO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cc([N+](=O)[O-])ccc3N3CCCCC3)[C@@H]2C1 ZINC001538046056 1070324764 /nfs/dbraw/zinc/32/47/64/1070324764.db2.gz GUMXWPGOKJRZEV-BMGDILEWSA-N 1 0 372.469 2.655 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]Cc2cccc(OCC(F)(F)F)n2)cc1 ZINC001261437978 1041237600 /nfs/dbraw/zinc/23/76/00/1041237600.db2.gz RCPZFYUQJVHRRF-AWEZNQCLSA-N 1 0 371.315 2.754 20 5 FFBDRO CCOc1ccc(C(=O)N2CCC3(CC2)CC[NH+](C)CC3)cc1[N+](=O)[O-] ZINC001261883328 1041459422 /nfs/dbraw/zinc/45/94/22/1041459422.db2.gz HADGGMQOGBTLNP-UHFFFAOYSA-N 1 0 361.442 2.942 20 5 FFBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c(F)c1N1CCOCC1 ZINC001262678650 1041789085 /nfs/dbraw/zinc/78/90/85/1041789085.db2.gz IXWLTGOIKHIGFF-ZFWWWQNUSA-N 1 0 364.421 2.609 20 5 FFBDRO CCn1c(-c2csc([N+](=O)[O-])c2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001263014164 1042033363 /nfs/dbraw/zinc/03/33/63/1042033363.db2.gz XFTYDKHHEZXMIT-UHFFFAOYSA-N 1 0 362.459 2.609 20 5 FFBDRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2C(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC001263151073 1042134183 /nfs/dbraw/zinc/13/41/83/1042134183.db2.gz RIYLSHMZHPNORW-IQRFUGTFSA-N 1 0 373.453 2.586 20 5 FFBDRO CC(C)(C)[NH+]1CCN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CC1 ZINC001320240808 1045374457 /nfs/dbraw/zinc/37/44/57/1045374457.db2.gz FJTMLOGVUFDEPQ-UHFFFAOYSA-N 1 0 357.357 2.753 20 5 FFBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001323275247 1045525557 /nfs/dbraw/zinc/52/55/57/1045525557.db2.gz SBBGQZDYGLPSPF-HUUCEWRRSA-N 1 0 360.458 2.988 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@H](Cc3nccn3C)C2)c1 ZINC001326387972 1046911415 /nfs/dbraw/zinc/91/14/15/1046911415.db2.gz NHFVHWKWTPTFLO-CQSZACIVSA-N 1 0 372.425 2.570 20 5 FFBDRO C[C@@H](COc1ccccc1F)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC001326585298 1046990179 /nfs/dbraw/zinc/99/01/79/1046990179.db2.gz YIHADFZZYHAOHG-KBPBESRZSA-N 1 0 364.373 2.531 20 5 FFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC001289680311 1047717804 /nfs/dbraw/zinc/71/78/04/1047717804.db2.gz ZXJCGXQOMXREOW-CYBMUJFWSA-N 1 0 351.472 2.924 20 5 FFBDRO C[NH2+][C@H](C)CCNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC001331433828 1047931764 /nfs/dbraw/zinc/93/17/64/1047931764.db2.gz VQVFTLHOMGRCHK-MRVPVSSYSA-N 1 0 359.224 2.785 20 5 FFBDRO CCC1([NH3+])CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1 ZINC001332060108 1048230884 /nfs/dbraw/zinc/23/08/84/1048230884.db2.gz NBCAYXOCJDCJHC-UHFFFAOYSA-N 1 0 363.461 2.885 20 5 FFBDRO O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cccc(C[NH+]3CCCC3)c2)c1 ZINC001332320207 1048344610 /nfs/dbraw/zinc/34/46/10/1048344610.db2.gz TYOCUPDWMWIKBT-UHFFFAOYSA-N 1 0 361.423 2.991 20 5 FFBDRO C[C@@H](CNC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)[N@@H+]1CCCC[C@@H]1C ZINC001540833305 1071014321 /nfs/dbraw/zinc/01/43/21/1071014321.db2.gz LUMTUHRXJKXOCW-KBPBESRZSA-N 1 0 371.441 2.978 20 5 FFBDRO C[NH+]1CCC(n2cc(NC(=O)N3Cc4ccc([N+](=O)[O-])cc4C3)cn2)CC1 ZINC001332946215 1048637520 /nfs/dbraw/zinc/63/75/20/1048637520.db2.gz JSQRTNMXMNXCSG-UHFFFAOYSA-N 1 0 370.413 2.606 20 5 FFBDRO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001333160113 1048736458 /nfs/dbraw/zinc/73/64/58/1048736458.db2.gz UHBYEPDVZJWMRB-CYBMUJFWSA-N 1 0 351.834 2.878 20 5 FFBDRO O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001329824417 1048926664 /nfs/dbraw/zinc/92/66/64/1048926664.db2.gz WODBMTDRAFRGAS-RTBURBONSA-N 1 0 366.421 2.766 20 5 FFBDRO CC1(C)[C@@H]2[NH2+]CCC[C@H]2[C@@H]1NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001333669720 1049042764 /nfs/dbraw/zinc/04/27/64/1049042764.db2.gz GIQVBXIUZVCNIL-ZACQAIPSSA-N 1 0 357.454 2.909 20 5 FFBDRO O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CC[NH2+]CCC12CCC2 ZINC001333695533 1049060357 /nfs/dbraw/zinc/06/03/57/1049060357.db2.gz HKWNVEZOKNVDGT-UHFFFAOYSA-N 1 0 372.469 2.556 20 5 FFBDRO O=C(NC[C@@H]1C[NH2+]CCC1(F)F)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001333771951 1049112544 /nfs/dbraw/zinc/11/25/44/1049112544.db2.gz PYPRMXBKWJQDLD-VIFPVBQESA-N 1 0 367.274 2.588 20 5 FFBDRO CC[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)OC)[NH+]1CCCC1 ZINC001292187936 1049168353 /nfs/dbraw/zinc/16/83/53/1049168353.db2.gz YZHDOLVDKDUQOF-OAHLLOKOSA-N 1 0 374.445 2.725 20 5 FFBDRO O=[N+]([O-])c1ccc(Cl)cc1CN1CCC([NH2+]C2CCOCC2)CC1 ZINC001334404183 1049409813 /nfs/dbraw/zinc/40/98/13/1049409813.db2.gz ZYIZVYJGKYBFRK-UHFFFAOYSA-N 1 0 353.850 2.981 20 5 FFBDRO Cc1ccc(C[N@@H+]2CCCN(C(=O)c3c(N)cccc3[N+](=O)[O-])CC2)cc1 ZINC001341963569 1050560712 /nfs/dbraw/zinc/56/07/12/1050560712.db2.gz UFILLSFPULXUAJ-UHFFFAOYSA-N 1 0 368.437 2.834 20 5 FFBDRO O=C([C@@H]1CC[C@H]2CCCC[C@H]2[NH2+]1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001340181537 1050587980 /nfs/dbraw/zinc/58/79/80/1050587980.db2.gz AWQYQLNIEKAZEQ-LZQZEXGQSA-N 1 0 372.469 2.554 20 5 FFBDRO CCn1c(-c2cc(C)cc([N+](=O)[O-])c2)nnc1N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC001340300725 1050700330 /nfs/dbraw/zinc/70/03/30/1050700330.db2.gz NXRXCGOOLZGPMK-HNAYVOBHSA-N 1 0 370.457 2.570 20 5 FFBDRO O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001302184167 1051057202 /nfs/dbraw/zinc/05/72/02/1051057202.db2.gz SEHSSPVMMNOMTC-OAHLLOKOSA-N 1 0 364.405 2.733 20 5 FFBDRO [NH3+]CC[C@H]1CN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)c2ccccc21 ZINC001340913556 1051242651 /nfs/dbraw/zinc/24/26/51/1051242651.db2.gz SHZKMBWGQKBNTQ-LBPRGKRZSA-N 1 0 359.357 2.592 20 5 FFBDRO CCn1c(C[N+](=O)[O-])nnc1N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001342650852 1051258580 /nfs/dbraw/zinc/25/85/80/1051258580.db2.gz HJTRLLSLXDGLOW-HNNXBMFYSA-N 1 0 364.494 2.556 20 5 FFBDRO CC(C)Cn1c([C@@H](C)[N+](=O)[O-])nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001342992929 1051608728 /nfs/dbraw/zinc/60/87/28/1051608728.db2.gz JGLBWKSEIQCVKD-CVEARBPZSA-N 1 0 364.494 2.584 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC001345140321 1052286581 /nfs/dbraw/zinc/28/65/81/1052286581.db2.gz YTFXSXNNTANALF-HNNXBMFYSA-N 1 0 368.231 2.716 20 5 FFBDRO C[C@@H]1CCCC[C@@]1(C)[NH2+]CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001307825500 1052354681 /nfs/dbraw/zinc/35/46/81/1052354681.db2.gz KZKCIHNWERIFFU-OXQOHEQNSA-N 1 0 374.485 2.802 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CCN1CC[N@H+](Cc2ccccc2)[C@@H](C(C)C)C1 ZINC001307930987 1052368867 /nfs/dbraw/zinc/36/88/67/1052368867.db2.gz NBGFQPRUQSJEMP-LJQANCHMSA-N 1 0 371.485 2.942 20 5 FFBDRO O=C(CCN1CCC[C@@H]1c1ncccn1)Nc1cc([N+](=O)[O-])ccc1F ZINC001307947537 1052370954 /nfs/dbraw/zinc/37/09/54/1052370954.db2.gz UWBKFVJPEZOQJF-OAHLLOKOSA-N 1 0 359.361 2.690 20 5 FFBDRO COC(=O)[C@@H]1[C@H](C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1(F)F ZINC001308774212 1052497772 /nfs/dbraw/zinc/49/77/72/1052497772.db2.gz QTDPQVVMCINCAI-QEJZJMRPSA-N 1 0 354.353 2.829 20 5 FFBDRO Cc1ccc(S(=O)(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC001309282174 1052590795 /nfs/dbraw/zinc/59/07/95/1052590795.db2.gz GNOFPCSTKQAUKZ-KCQAQPDRSA-N 1 0 369.487 2.548 20 5 FFBDRO C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC001344624025 1052865104 /nfs/dbraw/zinc/86/51/04/1052865104.db2.gz MNHYRQOQXVYDHZ-CXAGYDPISA-N 1 0 354.410 2.545 20 5 FFBDRO Cc1cc(C)cc(OC[C@H](O)C[NH2+]CCNc2ccc([N+](=O)[O-])cc2)c1 ZINC001335315161 1053292583 /nfs/dbraw/zinc/29/25/83/1053292583.db2.gz UFTBQVILCWTUBM-GOSISDBHSA-N 1 0 359.426 2.653 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@](O)(c2ccccc2)C(F)(F)F)c1 ZINC001335367778 1053320691 /nfs/dbraw/zinc/32/06/91/1053320691.db2.gz VQSHJGBOQSDFKX-CVEARBPZSA-N 1 0 370.327 2.668 20 5 FFBDRO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001335393429 1053333599 /nfs/dbraw/zinc/33/35/99/1053333599.db2.gz LHIXNXXWAQBUPB-OAHLLOKOSA-N 1 0 351.834 2.878 20 5 FFBDRO Cc1c(CNC(=O)N2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC001336809348 1054247656 /nfs/dbraw/zinc/24/76/56/1054247656.db2.gz ZNUIZWQQXLXTTO-GVDBMIGSSA-N 1 0 360.458 2.775 20 5 FFBDRO CN(C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C1(C[NH3+])CCCCC1 ZINC001337035193 1054427727 /nfs/dbraw/zinc/42/77/27/1054427727.db2.gz QULBKYOCHYBTKI-UHFFFAOYSA-N 1 0 360.458 2.929 20 5 FFBDRO C[NH+]1CCC(n2cc(NC(=O)c3cccc(Cl)c3[N+](=O)[O-])cn2)CC1 ZINC001352043894 1055148676 /nfs/dbraw/zinc/14/86/76/1055148676.db2.gz KRBOXFUCLGDDGV-UHFFFAOYSA-N 1 0 363.805 2.964 20 5 FFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC001338031443 1055182618 /nfs/dbraw/zinc/18/26/18/1055182618.db2.gz NYJKCSXUMIINFX-AWEZNQCLSA-N 1 0 370.400 2.760 20 5 FFBDRO CN(C)c1cc(F)c(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000847254992 1055322950 /nfs/dbraw/zinc/32/29/50/1055322950.db2.gz IGNYBJMAUCTYED-LSDHHAIUSA-N 1 0 364.421 2.547 20 5 FFBDRO C[N@@H+]1C[C@@H]2CC[C@@H](Nc3ccc([N+](=O)[O-])c(C(=O)N4CCCC4)c3)[C@@H]2C1 ZINC001338298997 1055399909 /nfs/dbraw/zinc/39/99/09/1055399909.db2.gz XVCCKHMVKCFHQA-IAOVAPTHSA-N 1 0 358.442 2.583 20 5 FFBDRO Cc1c(-c2nnc(N3CCC[C@@H]([NH+]4CCCC4)C3)n2C)cccc1[N+](=O)[O-] ZINC001350549446 1055828640 /nfs/dbraw/zinc/82/86/40/1055828640.db2.gz LYYZGZIGSHRPFY-OAHLLOKOSA-N 1 0 370.457 2.763 20 5 FFBDRO C[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)CCC(=O)N2 ZINC001353232657 1056213980 /nfs/dbraw/zinc/21/39/80/1056213980.db2.gz WZRQJZPPTANXFN-SGTLLEGYSA-N 1 0 355.394 2.864 20 5 FFBDRO [NH3+]CC1(c2ccccc2)CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC001358392818 1056289792 /nfs/dbraw/zinc/28/97/92/1056289792.db2.gz CXIRVUQNIIJHOL-UHFFFAOYSA-N 1 0 357.385 2.867 20 5 FFBDRO Cc1ccc([C@H](C)NC(=O)[C@@H]2CC[NH2+][C@@H]([C@H]3CCCO3)C2)cc1[N+](=O)[O-] ZINC001353418921 1056384626 /nfs/dbraw/zinc/38/46/26/1056384626.db2.gz HMILFAYHKGYFST-AAJLLMFJSA-N 1 0 361.442 2.628 20 5 FFBDRO C[NH2+]C[C@H]1CCCCN1C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001353476497 1056437145 /nfs/dbraw/zinc/43/71/45/1056437145.db2.gz DUZGRGGZARLUMW-CYBMUJFWSA-N 1 0 374.363 2.897 20 5 FFBDRO CCn1c(C[N+](=O)[O-])nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001339454187 1056470011 /nfs/dbraw/zinc/47/00/11/1056470011.db2.gz HMXAWZDAEQQNGH-RDJZCZTQSA-N 1 0 372.473 2.564 20 5 FFBDRO C[C@@H](COC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)[NH+]1CCCCC1 ZINC000847964017 1058535271 /nfs/dbraw/zinc/53/52/71/1058535271.db2.gz VVDUPVQWYOAJBQ-AWEZNQCLSA-N 1 0 358.398 2.812 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)Nc2ccccc2C[NH+]2CCC(O)CC2)n1 ZINC001447136066 1058601198 /nfs/dbraw/zinc/60/11/98/1058601198.db2.gz AAJPXSMYRPJZSF-UHFFFAOYSA-N 1 0 370.409 2.507 20 5 FFBDRO CC[C@@H](C)[N@H+](C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)OC ZINC001545661655 1071828045 /nfs/dbraw/zinc/82/80/45/1071828045.db2.gz DOYKZDRDBQHZMX-CYBMUJFWSA-N 1 0 362.434 2.581 20 5 FFBDRO C[C@@]1(NC(=O)c2ccc([N+](=O)[O-])cc2N)CC[N@H+](Cc2ccccc2)C1 ZINC001452735228 1059289609 /nfs/dbraw/zinc/28/96/09/1059289609.db2.gz GBWUNBXUVDVSMJ-LJQANCHMSA-N 1 0 354.410 2.571 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH2+][C@@H](Cc3ccccc3)C2)c1C ZINC001454587679 1059574506 /nfs/dbraw/zinc/57/45/06/1059574506.db2.gz RAZQEZQAHACUQN-KRWDZBQOSA-N 1 0 353.422 2.868 20 5 FFBDRO O=C(NCC12CCC[NH+](CCC1)C2)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC001520358888 1059636520 /nfs/dbraw/zinc/63/65/20/1059636520.db2.gz IJGUFFLABPIICK-UHFFFAOYSA-N 1 0 369.368 2.802 20 5 FFBDRO CC[N@@H+]1CCC[C@@H]1Cn1c(C)nnc1N(C)CCc1cccc([N+](=O)[O-])c1 ZINC001515855117 1059846322 /nfs/dbraw/zinc/84/63/22/1059846322.db2.gz SSPHJOQXHHVFLF-GOSISDBHSA-N 1 0 372.473 2.658 20 5 FFBDRO O=[N+]([O-])c1ccccc1-c1cnn(CN2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000848480116 1060111711 /nfs/dbraw/zinc/11/17/11/1060111711.db2.gz NULVZOVBOFPJIB-INIZCTEOSA-N 1 0 355.442 2.834 20 5 FFBDRO CCC[N@H+](C)C[C@H]1CCN(CN2CC[C@@H](c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000848481049 1060112515 /nfs/dbraw/zinc/11/25/15/1060112515.db2.gz VQNAJGRWCPLDFI-APWZRJJASA-N 1 0 374.485 2.532 20 5 FFBDRO CCn1c([C@H](C)[N+](=O)[O-])nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001520819758 1060112967 /nfs/dbraw/zinc/11/29/67/1060112967.db2.gz AYHCFEAWOTXSKW-HOTGVXAUSA-N 1 0 364.494 2.728 20 5 FFBDRO O=C1[C@H](c2ccc([N+](=O)[O-])cc2)CCN1C[N@@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000848480973 1060113712 /nfs/dbraw/zinc/11/37/12/1060113712.db2.gz UALIWOPKIRWZHV-AZUAARDMSA-N 1 0 373.453 2.761 20 5 FFBDRO CCC(C)(C)[NH+]1CCN(Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)CC1 ZINC000848495480 1060162998 /nfs/dbraw/zinc/16/29/98/1060162998.db2.gz KEOJQQNWKJTAME-UHFFFAOYSA-N 1 0 358.446 2.617 20 5 FFBDRO CCC1([NH+]2CCCC2)CCN(c2nnc(-c3c[nH]c([N+](=O)[O-])c3)n2C)CC1 ZINC001355599614 1060404061 /nfs/dbraw/zinc/40/40/61/1060404061.db2.gz UELKMNWHHFNSCJ-UHFFFAOYSA-N 1 0 373.461 2.563 20 5 FFBDRO CC[N@H+](C)[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C1 ZINC001458044276 1060499293 /nfs/dbraw/zinc/49/92/93/1060499293.db2.gz HWOHIKHIITYPRW-MRXNPFEDSA-N 1 0 360.458 2.751 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC(O)(C[NH+]3CCCCC3)CC2)c2ccncc21 ZINC001458700895 1060651061 /nfs/dbraw/zinc/65/10/61/1060651061.db2.gz GRIGMTBLSSJFOL-UHFFFAOYSA-N 1 0 370.453 2.960 20 5 FFBDRO O=C([C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001521546930 1060954409 /nfs/dbraw/zinc/95/44/09/1060954409.db2.gz OEGFJHYFRRCHFF-UKBAYJJMSA-N 1 0 357.454 2.937 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCO[C@H](c2ccccc2)CC1 ZINC001460950408 1061162291 /nfs/dbraw/zinc/16/22/91/1061162291.db2.gz QJOYLRZOCFTFAW-HKUYNNGSSA-N 1 0 372.421 2.798 20 5 FFBDRO COC(=O)C[C@](C)([NH2+]CCCOc1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC001460991627 1061181150 /nfs/dbraw/zinc/18/11/50/1061181150.db2.gz LKZKWBFHSXAVNU-IBGZPJMESA-N 1 0 373.409 2.827 20 5 FFBDRO COc1c(O)ccc(C[NH2+]C[C@](C)(O)c2ccccc2Cl)c1[N+](=O)[O-] ZINC001462045580 1061486666 /nfs/dbraw/zinc/48/66/66/1061486666.db2.gz BGVGEQFZHHZNCO-KRWDZBQOSA-N 1 0 366.801 2.960 20 5 FFBDRO CC(C)(C)CC[C@@H](CO)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC001462150035 1061519735 /nfs/dbraw/zinc/51/97/35/1061519735.db2.gz HSDIOPZUYIAOKI-HNNXBMFYSA-N 1 0 350.463 2.735 20 5 FFBDRO [NH3+]C[C@@]12CC[C@@H]1CCCN2C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC001523428899 1062466156 /nfs/dbraw/zinc/46/61/56/1062466156.db2.gz XQQWMSWDGFBXEU-NHYWBVRUSA-N 1 0 368.231 2.701 20 5 FFBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCC2(CCC[C@H]2C[NH3+])CC1 ZINC001524076983 1062713112 /nfs/dbraw/zinc/71/31/12/1062713112.db2.gz AVGPEPQJHSMVER-AWEZNQCLSA-N 1 0 360.458 2.642 20 5 FFBDRO CCN(C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)C1CC[NH2+]CC1 ZINC001524196724 1062751370 /nfs/dbraw/zinc/75/13/70/1062751370.db2.gz BGQZIHTWXGTYOQ-UHFFFAOYSA-N 1 0 360.439 2.932 20 5 FFBDRO O=C(Nc1ccc(C[NH+]2CCCC2)c(C(F)(F)F)c1)[C@@H]1CC1[N+](=O)[O-] ZINC001439225511 1063116331 /nfs/dbraw/zinc/11/63/31/1063116331.db2.gz PNTAZVJIVCDESU-TZMCWYRMSA-N 1 0 357.332 2.905 20 5 FFBDRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001532594693 1063126706 /nfs/dbraw/zinc/12/67/06/1063126706.db2.gz SRZSRZKHOCKOMC-CQSZACIVSA-N 1 0 356.426 2.887 20 5 FFBDRO Cc1ccc(CNC(=O)Nc2cnn(-c3cc[nH+]cc3)c2)cc1[N+](=O)[O-] ZINC001465718632 1063191845 /nfs/dbraw/zinc/19/18/45/1063191845.db2.gz DOLNEYTZJFXZJW-UHFFFAOYSA-N 1 0 352.354 2.806 20 5 FFBDRO C[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C)[C@H](C)C1)[NH+](C)C ZINC001494227179 1063305394 /nfs/dbraw/zinc/30/53/94/1063305394.db2.gz ILRVWYHXDAYYIV-QLFBSQMISA-N 1 0 372.473 2.896 20 5 FFBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)NCC1CC[NH+](CCC(C)C)CC1 ZINC001466096972 1063324552 /nfs/dbraw/zinc/32/45/52/1063324552.db2.gz GSNHSDVJUNGOJS-UHFFFAOYSA-N 1 0 363.462 2.600 20 5 FFBDRO CC1(C)CCC(C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCCC2)CC1 ZINC001495916671 1063558394 /nfs/dbraw/zinc/55/83/94/1063558394.db2.gz IELNPHYXIBIWQT-HZPDHXFCSA-N 1 0 351.491 2.887 20 5 FFBDRO CC(C)(NC(=O)c1cnc(C2CC[NH2+]CC2)o1)c1ccccc1[N+](=O)[O-] ZINC001575380880 1078134716 /nfs/dbraw/zinc/13/47/16/1078134716.db2.gz RCPMIEZURQGTNK-UHFFFAOYSA-N 1 0 358.398 2.715 20 5 FFBDRO C[C@@H](CNc1c2cccc(Cl)c2ncc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC001472704648 1065131434 /nfs/dbraw/zinc/13/14/34/1065131434.db2.gz DFYJHHUXZQZXBI-LBPRGKRZSA-N 1 0 364.833 2.599 20 5 FFBDRO CC1CC[NH+](CCc2cccc(Nc3ncc([N+](=O)[O-])c(N)n3)c2)CC1 ZINC001472733287 1065136729 /nfs/dbraw/zinc/13/67/29/1065136729.db2.gz YGOIIPPCQSPBQX-UHFFFAOYSA-N 1 0 356.430 2.985 20 5 FFBDRO C[NH+](C)C[C@H]1COC2(CCCC2)CN1CCOc1ccccc1[N+](=O)[O-] ZINC001473651128 1065309724 /nfs/dbraw/zinc/30/97/24/1065309724.db2.gz KSQYPQKXMAIAGW-INIZCTEOSA-N 1 0 363.458 2.549 20 5 FFBDRO C[C@@](CO)([NH2+]Cc1ccc(-n2ccnc2)cc1)c1cccc([N+](=O)[O-])c1 ZINC001473714117 1065327279 /nfs/dbraw/zinc/32/72/79/1065327279.db2.gz LKYXGNHEPAUSQL-IBGZPJMESA-N 1 0 352.394 2.778 20 5 FFBDRO C[C@@](CO)([NH2+]CCCOc1ccc2c(c1)OCO2)c1cccc([N+](=O)[O-])c1 ZINC001473714552 1065330229 /nfs/dbraw/zinc/33/02/29/1065330229.db2.gz UMBNZWNFXLIPFH-IBGZPJMESA-N 1 0 374.393 2.590 20 5 FFBDRO CC1(C)CCC[C@@H]([NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001473994295 1065436102 /nfs/dbraw/zinc/43/61/02/1065436102.db2.gz XOEKQXXDWLQJCJ-CQSZACIVSA-N 1 0 369.487 2.822 20 5 FFBDRO Cn1c(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc2ccccc21 ZINC001474105577 1065457444 /nfs/dbraw/zinc/45/74/44/1065457444.db2.gz DYCBOQMEWBPEJK-UHFFFAOYSA-N 1 0 373.434 2.650 20 5 FFBDRO C[C@@H](Nc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)cc1[N+](=O)[O-])c1ccccn1 ZINC001576250237 1078209783 /nfs/dbraw/zinc/20/97/83/1078209783.db2.gz CXAYRDMNXGCQLC-UMVBOHGHSA-N 1 0 369.425 2.582 20 5 FFBDRO CCN(C(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC001577643429 1078384603 /nfs/dbraw/zinc/38/46/03/1078384603.db2.gz CMUAWIIZJNFUOJ-NSHDSACASA-N 1 0 353.444 2.539 20 5 FFBDRO COc1cccc(C[C@@H]([NH3+])C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC001579273152 1078607023 /nfs/dbraw/zinc/60/70/23/1078607023.db2.gz ONNHTBQHSRLVJB-SUMWQHHRSA-N 1 0 357.410 2.659 20 5 FFBDRO C[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2Br)[C@H](C[NH3+])C1 ZINC001579423357 1078628097 /nfs/dbraw/zinc/62/80/97/1078628097.db2.gz IHNQCUOSWWPDNL-ZJUUUORDSA-N 1 0 356.220 2.557 20 5 FFBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCCC1(C[NH3+])CC1 ZINC001579516875 1078638357 /nfs/dbraw/zinc/63/83/57/1078638357.db2.gz TVIVOFFJQSSYHO-UHFFFAOYSA-N 1 0 356.220 2.525 20 5 FFBDRO Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC001579827639 1078691970 /nfs/dbraw/zinc/69/19/70/1078691970.db2.gz MPMMQFAFFBBGNQ-CJNGLKHVSA-N 1 0 357.414 2.515 20 5 FFBDRO Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC001579827638 1078692013 /nfs/dbraw/zinc/69/20/13/1078692013.db2.gz MPMMQFAFFBBGNQ-BBRMVZONSA-N 1 0 357.414 2.515 20 5 FFBDRO [NH3+][C@@H](Cc1ccc2cc[nH]c2c1)C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001580135202 1078754650 /nfs/dbraw/zinc/75/46/50/1078754650.db2.gz ZCLQYUGTXGTKSG-INIZCTEOSA-N 1 0 350.378 2.535 20 5 FFBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)C[C@@H]21 ZINC001580177491 1078760745 /nfs/dbraw/zinc/76/07/45/1078760745.db2.gz PFPQYDSOAYVFRD-BIGNPOOSSA-N 1 0 357.332 2.813 20 5 FFBDRO O=C(Nc1ccc(F)c([N+](=O)[O-])c1)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001580767165 1078856119 /nfs/dbraw/zinc/85/61/19/1078856119.db2.gz URQNKKVQRYIGJO-CHWSQXEVSA-N 1 0 350.394 2.977 20 5 FFBDRO O=C(Nc1ccc(F)c([N+](=O)[O-])c1)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001580767166 1078856271 /nfs/dbraw/zinc/85/62/71/1078856271.db2.gz URQNKKVQRYIGJO-OLZOCXBDSA-N 1 0 350.394 2.977 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2nn[nH]n2)cc1NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC001582804627 1079109705 /nfs/dbraw/zinc/10/97/05/1079109705.db2.gz WYYSJRMGFWMLDO-CQSZACIVSA-N 1 0 357.418 2.594 20 5 FFBDRO Nc1c(Cl)cc(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC001583145776 1079170472 /nfs/dbraw/zinc/17/04/72/1079170472.db2.gz UCQJEYMCEKGFPA-CHWSQXEVSA-N 1 0 352.822 2.577 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N3C[C@H]4CC[N@H+](C)[C@H]4C3)cc2[N+](=O)[O-])CC1 ZINC001583279300 1079187473 /nfs/dbraw/zinc/18/74/73/1079187473.db2.gz VULFUYPQDLPDSL-APWZRJJASA-N 1 0 372.469 2.607 20 5 FFBDRO C[C@@H]1C[C@H]2CC[C@H](C(=O)NCc3cc([N+](=O)[O-])c(F)cc3F)C[N@@H+]2C1 ZINC001557207953 1075822161 /nfs/dbraw/zinc/82/21/61/1075822161.db2.gz GLOGPCTUGLUVII-NTZNESFSSA-N 1 0 353.369 2.610 20 5 FFBDRO O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)N1CCC([NH2+]C2CCC2)CC1 ZINC001558709352 1076061069 /nfs/dbraw/zinc/06/10/69/1076061069.db2.gz WTGPTXOMKBQCHS-UHFFFAOYSA-N 1 0 369.425 2.732 20 5 FFBDRO O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1N1CC([NH2+][C@@H]2CCOC2)C1 ZINC001559290654 1076146751 /nfs/dbraw/zinc/14/67/51/1076146751.db2.gz XFDHFHYASPWCOI-MRVPVSSYSA-N 1 0 365.739 2.834 20 5 FFBDRO COC(=O)c1ccc(C)c(NC(=O)C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC001560131487 1076232512 /nfs/dbraw/zinc/23/25/12/1076232512.db2.gz DKWKWXZJXSZGGU-CYBMUJFWSA-N 1 0 371.393 2.979 20 5 FFBDRO C[C@@](CO)(Cc1ccc(F)cc1)[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001560183692 1076243174 /nfs/dbraw/zinc/24/31/74/1076243174.db2.gz VTZUKBMBFDCBKW-KRWDZBQOSA-N 1 0 363.345 2.725 20 5 FFBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001561350438 1076366741 /nfs/dbraw/zinc/36/67/41/1076366741.db2.gz KNHKNPNTDANAFQ-MELADBBJSA-N 1 0 369.487 2.548 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC001561699923 1076409362 /nfs/dbraw/zinc/40/93/62/1076409362.db2.gz GBWWIQGQLYTJAI-HOTGVXAUSA-N 1 0 367.471 2.507 20 5 FFBDRO O=C(NC1(C[NH2+]Cc2ccc(CF)cc2)CCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001570796043 1077231388 /nfs/dbraw/zinc/23/13/88/1077231388.db2.gz BYSQVTMGACMEHG-IAGOWNOFSA-N 1 0 363.433 2.730 20 5 FFBDRO C[NH+](C)[C@H]1C[C@@H](NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C12CCC2 ZINC001585899137 1079511449 /nfs/dbraw/zinc/51/14/49/1079511449.db2.gz IJZKGJPFIAZEAF-SJORKVTESA-N 1 0 369.425 2.588 20 5 FFBDRO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CC[NH2+][C@@H](Cc2ccc(F)cc2)C1 ZINC001586132305 1079556288 /nfs/dbraw/zinc/55/62/88/1079556288.db2.gz LSICFFSIPJQYIH-HNNXBMFYSA-N 1 0 361.348 2.530 20 5 FFBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1C[C@]23C[N@@H+](C)C[C@@]2(C1)CCCC3 ZINC001586605087 1079655611 /nfs/dbraw/zinc/65/56/11/1079655611.db2.gz YTYUNEWACXAJMY-KDURUIRLSA-N 1 0 361.417 2.990 20 5 FFBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC001590189138 1081079686 /nfs/dbraw/zinc/07/96/86/1081079686.db2.gz VJWSVSVQACSCJU-ZIAGYGMSSA-N 1 0 373.461 2.945 20 5 FFBDRO CC[NH+]1CCC(n2nccc2NC(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000073459392 249804643 /nfs/dbraw/zinc/80/46/43/249804643.db2.gz XWOLFUMNKHQSEV-UHFFFAOYSA-N 1 0 357.414 2.629 20 5 FFBDRO O=C(NCc1ccccc1[N+](=O)[O-])NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000093120200 250015501 /nfs/dbraw/zinc/01/55/01/250015501.db2.gz LSGJPIZPOIMMHV-UHFFFAOYSA-N 1 0 369.425 2.706 20 5 FFBDRO Cc1c(CC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)cccc1[N+](=O)[O-] ZINC000093064191 250016242 /nfs/dbraw/zinc/01/62/42/250016242.db2.gz JPAGIXPJGVXMPC-UHFFFAOYSA-N 1 0 368.437 2.874 20 5 FFBDRO C[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Cl)cc1Cl ZINC000097454446 250064806 /nfs/dbraw/zinc/06/48/06/250064806.db2.gz ZZLXRRCHYIRZMB-BXKDBHETSA-N 1 0 359.213 2.810 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](C)[N@H+](C)C2CC2)cc1SC ZINC000103085386 250134451 /nfs/dbraw/zinc/13/44/51/250134451.db2.gz PGNDCULKVSIOLX-SNVBAGLBSA-N 1 0 353.444 2.538 20 5 FFBDRO Cn1cc(C[NH2+]C[C@H](O)Cc2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000105492997 250213720 /nfs/dbraw/zinc/21/37/20/250213720.db2.gz RLECJHFNVWSJOL-LJQANCHMSA-N 1 0 366.421 2.689 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000175556315 251227138 /nfs/dbraw/zinc/22/71/38/251227138.db2.gz WYDHUIPIJYNPOV-UHFFFAOYSA-N 1 0 364.446 2.914 20 5 FFBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000181185829 251255943 /nfs/dbraw/zinc/25/59/43/251255943.db2.gz XSYODHLLGOLIPJ-CRAIPNDOSA-N 1 0 357.410 2.514 20 5 FFBDRO C[C@H]1C[C@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000181188299 251256140 /nfs/dbraw/zinc/25/61/40/251256140.db2.gz QOTVUNXNUTWXRY-ZFWWWQNUSA-N 1 0 354.410 2.570 20 5 FFBDRO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000269997239 251442836 /nfs/dbraw/zinc/44/28/36/251442836.db2.gz WUDULKAMAJVHPB-WRFANHODSA-N 1 0 359.426 2.859 20 5 FFBDRO C[NH+]1CCC([C@@H]2CCN(C(=O)CCOc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000270290159 251510473 /nfs/dbraw/zinc/51/04/73/251510473.db2.gz WUXVQQNDGXYSTK-MRXNPFEDSA-N 1 0 361.442 2.554 20 5 FFBDRO O=[N+]([O-])c1ccc(C[N@H+](CCCN2CCOCC2)Cc2ccncc2)cc1 ZINC000272461861 252043906 /nfs/dbraw/zinc/04/39/06/252043906.db2.gz ONJYGHGOMBKGRI-UHFFFAOYSA-N 1 0 370.453 2.714 20 5 FFBDRO C[NH+]1CCC(C)(CNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000272507698 252054941 /nfs/dbraw/zinc/05/49/41/252054941.db2.gz IIWGTWDOUPOKRP-UHFFFAOYSA-N 1 0 374.485 2.659 20 5 FFBDRO COc1cc(C[NH2+]C[C@@H]2CCCOC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272369623 252022307 /nfs/dbraw/zinc/02/23/07/252022307.db2.gz GJXOZRHRJGQERN-NSHDSACASA-N 1 0 360.357 2.764 20 5 FFBDRO C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C1=CC[N@H+](C)CC1 ZINC000272621514 252083241 /nfs/dbraw/zinc/08/32/41/252083241.db2.gz ACMABCURDTYAEJ-SNVBAGLBSA-N 1 0 357.332 2.994 20 5 FFBDRO CC[NH+]1CCC(CCNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000272838474 252144497 /nfs/dbraw/zinc/14/44/97/252144497.db2.gz MJBFXNNOTOPAJP-UHFFFAOYSA-N 1 0 361.489 2.594 20 5 FFBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000273531255 252324793 /nfs/dbraw/zinc/32/47/93/252324793.db2.gz QXMHGOKFRJYJTA-CYBMUJFWSA-N 1 0 369.487 2.508 20 5 FFBDRO C[C@H](CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)C[NH+]1CCCCC1 ZINC000276209770 256080942 /nfs/dbraw/zinc/08/09/42/256080942.db2.gz KBDMYGYKRLEJKK-CYBMUJFWSA-N 1 0 355.460 2.532 20 5 FFBDRO C[C@H](CO)[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CCCC1 ZINC000276448919 256101004 /nfs/dbraw/zinc/10/10/04/256101004.db2.gz MQBRTDSLCIJDFQ-LLVKDONJSA-N 1 0 355.822 2.812 20 5 FFBDRO CN1CC[NH+](CC2CCN(c3nc4ccccc4cc3[N+](=O)[O-])CC2)CC1 ZINC000276572362 256111065 /nfs/dbraw/zinc/11/10/65/256111065.db2.gz HNARYCPUMBDVPI-UHFFFAOYSA-N 1 0 369.469 2.607 20 5 FFBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C1 ZINC000277074542 256158844 /nfs/dbraw/zinc/15/88/44/256158844.db2.gz TTYVTEFDPBGFLY-QAPCUYQASA-N 1 0 372.469 2.751 20 5 FFBDRO CCN1CC[NH+](C[C@H](C)CNc2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000277212462 256172528 /nfs/dbraw/zinc/17/25/28/256172528.db2.gz ZBCWQFYUVKKAPD-OAHLLOKOSA-N 1 0 357.458 2.829 20 5 FFBDRO CCOc1cc(C[NH+]2CCC3(CC2)[C@H](OCC)C[C@@H]3O)ccc1[N+](=O)[O-] ZINC000276920510 256142611 /nfs/dbraw/zinc/14/26/11/256142611.db2.gz OYGMRWPQMICBMR-ZWKOTPCHSA-N 1 0 364.442 2.745 20 5 FFBDRO C[C@H]([NH2+]C1CCN(S(=O)(=O)C(C)(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000276968647 256147632 /nfs/dbraw/zinc/14/76/32/256147632.db2.gz BWAAAFROWCSXKM-ZDUSSCGKSA-N 1 0 369.487 2.838 20 5 FFBDRO C[C@@H]([NH2+]C1CCN(S(=O)(=O)C(C)(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000276968645 256147808 /nfs/dbraw/zinc/14/78/08/256147808.db2.gz BWAAAFROWCSXKM-CYBMUJFWSA-N 1 0 369.487 2.838 20 5 FFBDRO CCOc1cc(CN2CC[N@@H+](C3CCOCC3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000278608612 256330912 /nfs/dbraw/zinc/33/09/12/256330912.db2.gz JAYITBBRXIRQJE-HNNXBMFYSA-N 1 0 363.458 2.679 20 5 FFBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)C1 ZINC000279155641 256388011 /nfs/dbraw/zinc/38/80/11/256388011.db2.gz HRETVXSZDRPOSU-ZDUSSCGKSA-N 1 0 366.437 2.650 20 5 FFBDRO COc1cc(OC)c(CNCc2nc3cc([N+](=O)[O-])ccc3[nH]2)c(OC)c1 ZINC000278808505 256350391 /nfs/dbraw/zinc/35/03/91/256350391.db2.gz YIEJXCMCYVWHSS-UHFFFAOYSA-N 1 0 372.381 2.787 20 5 FFBDRO COc1cc(C[NH2+]C[C@@H](O)c2cc(F)cc(Cl)c2)c([N+](=O)[O-])cc1O ZINC000278822264 256352179 /nfs/dbraw/zinc/35/21/79/256352179.db2.gz UDFWXWLLLVSFFU-OAHLLOKOSA-N 1 0 370.764 2.925 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)c1 ZINC000281482496 256636551 /nfs/dbraw/zinc/63/65/51/256636551.db2.gz GZTWYSXRNXJBQD-MRXNPFEDSA-N 1 0 363.458 2.766 20 5 FFBDRO CCS[C@H]1CCC[C@H]1[NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000286030634 257017080 /nfs/dbraw/zinc/01/70/80/257017080.db2.gz HWHDMHGNJTXDCE-BMIGLBTASA-N 1 0 367.427 2.526 20 5 FFBDRO [NH3+]CC[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000286065270 257018536 /nfs/dbraw/zinc/01/85/36/257018536.db2.gz LZTXKPASNJYRLM-SNVBAGLBSA-N 1 0 356.220 2.701 20 5 FFBDRO C[NH+](C)CCOc1cc(CNc2ncnc3sc([N+](=O)[O-])cc32)ccn1 ZINC000286102128 257020390 /nfs/dbraw/zinc/02/03/90/257020390.db2.gz DBAWQDGREZQONB-UHFFFAOYSA-N 1 0 374.426 2.547 20 5 FFBDRO COc1cc(CN2CC[C@@H](C(F)(F)F)[C@H](CO)C2)c([N+](=O)[O-])cc1F ZINC000286664790 257048355 /nfs/dbraw/zinc/04/83/55/257048355.db2.gz UVMFRMCEPBWWEF-WDEREUQCSA-N 1 0 366.311 2.735 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000286667101 257048619 /nfs/dbraw/zinc/04/86/19/257048619.db2.gz UXLLRWWVENPUFZ-TZMCWYRMSA-N 1 0 362.348 2.986 20 5 FFBDRO C[NH+](C)CCc1ccc(CNc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)cc1 ZINC000286703905 257050451 /nfs/dbraw/zinc/05/04/51/257050451.db2.gz OQGJCLJMICFTIZ-UHFFFAOYSA-N 1 0 367.409 2.960 20 5 FFBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000286955470 257063910 /nfs/dbraw/zinc/06/39/10/257063910.db2.gz FRFBUMFURAMNDU-UGSOOPFHSA-N 1 0 356.426 2.704 20 5 FFBDRO COCC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)Cc1ccccn1 ZINC000287425153 257088689 /nfs/dbraw/zinc/08/86/89/257088689.db2.gz PFBVATDTAVIRKV-UHFFFAOYSA-N 1 0 372.425 2.775 20 5 FFBDRO COc1ccc(C[C@H](CO)C[NH2+]Cc2ccc([N+](=O)[O-])cc2C)cc1O ZINC000289456699 257282295 /nfs/dbraw/zinc/28/22/95/257282295.db2.gz NWMPPPZQYBZGCY-HNNXBMFYSA-N 1 0 360.410 2.558 20 5 FFBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@](C)(O)CNC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000289661477 257292682 /nfs/dbraw/zinc/29/26/82/257292682.db2.gz XYNLPGFVSHXGSL-FZKQIMNGSA-N 1 0 367.446 2.830 20 5 FFBDRO C[C@@H]1C[C@@H](Nc2nccc(C(N)=O)c2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000290829207 257360021 /nfs/dbraw/zinc/36/00/21/257360021.db2.gz UIQJRQGIXLMTJB-HIFRSBDPSA-N 1 0 369.425 2.554 20 5 FFBDRO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290973181 257369633 /nfs/dbraw/zinc/36/96/33/257369633.db2.gz QGSMGZCDHJRXQT-INIZCTEOSA-N 1 0 371.441 2.657 20 5 FFBDRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000294604450 257594845 /nfs/dbraw/zinc/59/48/45/257594845.db2.gz VIIYIAKPYHDXJH-GXTWGEPZSA-N 1 0 357.332 2.970 20 5 FFBDRO CS[C@H]1CN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C[C@H]1[NH+]1CCCC1 ZINC000295018214 257612384 /nfs/dbraw/zinc/61/23/84/257612384.db2.gz UNALQMSNDLOELQ-CABCVRRESA-N 1 0 369.874 2.900 20 5 FFBDRO CC(C)(CCC(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1)[N+](=O)[O-] ZINC000295019341 257612646 /nfs/dbraw/zinc/61/26/46/257612646.db2.gz RKAZLGXROGKJBM-UHFFFAOYSA-N 1 0 363.458 2.665 20 5 FFBDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)CCC(=O)c3cccc([N+](=O)[O-])c3)C2)C1 ZINC000295596108 257638854 /nfs/dbraw/zinc/63/88/54/257638854.db2.gz MQQRKZDHJZIJCL-IBGZPJMESA-N 1 0 359.426 2.502 20 5 FFBDRO COC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000298295070 257900980 /nfs/dbraw/zinc/90/09/80/257900980.db2.gz PFJTXTSLILFQIC-PBHICJAKSA-N 1 0 366.389 2.524 20 5 FFBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000301107926 258026132 /nfs/dbraw/zinc/02/61/32/258026132.db2.gz MWCXGJRYGIEQBZ-AWEZNQCLSA-N 1 0 368.437 2.813 20 5 FFBDRO Nc1nc(NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)ncc1[N+](=O)[O-] ZINC000301112319 258026168 /nfs/dbraw/zinc/02/61/68/258026168.db2.gz UKHLGOLEBABNPP-UHFFFAOYSA-N 1 0 362.821 2.697 20 5 FFBDRO CNC(=O)c1ccc(N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c([N+](=O)[O-])c1 ZINC000301110436 258026407 /nfs/dbraw/zinc/02/64/07/258026407.db2.gz MVUCNCCJYOSPCP-MRXNPFEDSA-N 1 0 374.485 2.903 20 5 FFBDRO Cc1ccc([C@@H](CNc2ncc([N+](=O)[O-])cc2C(N)=O)[NH+]2CCCC2)cc1 ZINC000301115851 258026958 /nfs/dbraw/zinc/02/69/58/258026958.db2.gz OJADWCGWUYIIFF-QGZVFWFLSA-N 1 0 369.425 2.646 20 5 FFBDRO COC[C@@H](C)C[NH2+]Cc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000299659380 258014725 /nfs/dbraw/zinc/01/47/25/258014725.db2.gz VHIAEUZLMBUFJV-JTQLQIEISA-N 1 0 366.336 2.917 20 5 FFBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000302027090 258083142 /nfs/dbraw/zinc/08/31/42/258083142.db2.gz HDXAWDXUYXMICH-CABCVRRESA-N 1 0 358.446 2.728 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCC[N@@H+]2CCc3ccccc3C2)c1 ZINC000302109133 258088719 /nfs/dbraw/zinc/08/87/19/258088719.db2.gz SXLHVGGPKSELRD-UHFFFAOYSA-N 1 0 355.394 2.852 20 5 FFBDRO C[C@@H]1C[N@@H+](CC2CCN(c3c4c(ccc3[N+](=O)[O-])NCC4)CC2)C[C@H](C)O1 ZINC000302456809 258102681 /nfs/dbraw/zinc/10/26/81/258102681.db2.gz QPCGGAJEBXSBMK-GASCZTMLSA-N 1 0 374.485 2.888 20 5 FFBDRO Cc1cc(N[C@H](C)CN2CC[NH+](C)CC2)c(Br)cc1[N+](=O)[O-] ZINC000302652889 258107319 /nfs/dbraw/zinc/10/73/19/258107319.db2.gz GXUUXJPFQRKFPK-GFCCVEGCSA-N 1 0 371.279 2.714 20 5 FFBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000302675418 258107659 /nfs/dbraw/zinc/10/76/59/258107659.db2.gz UDKKXVDKVIBOLG-OKILXGFUSA-N 1 0 369.487 2.778 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000301594783 258057612 /nfs/dbraw/zinc/05/76/12/258057612.db2.gz RQVRKYPHLUYFMR-QWRGUYRKSA-N 1 0 366.374 2.574 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(N2CCN(CC(=O)N3C[C@H](C)C[C@H](C)C3)CC2)c1 ZINC000301593475 258057780 /nfs/dbraw/zinc/05/77/80/258057780.db2.gz ZXPPYSJKEMAEFR-CALCHBBNSA-N 1 0 374.485 2.530 20 5 FFBDRO COC1(CNc2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)CCOCC1 ZINC000301792833 258067760 /nfs/dbraw/zinc/06/77/60/258067760.db2.gz RUQKTMRBRCZGQJ-UHFFFAOYSA-N 1 0 358.398 2.968 20 5 FFBDRO C[C@@H]1C[C@H](Nc2ccc3ncc([N+](=O)[O-])n3n2)C[N@@H+]1Cc1ccccc1 ZINC000301975102 258079273 /nfs/dbraw/zinc/07/92/73/258079273.db2.gz VRNZXIZBMRZTPX-HIFRSBDPSA-N 1 0 352.398 2.712 20 5 FFBDRO Cc1cc(N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000301978688 258079495 /nfs/dbraw/zinc/07/94/95/258079495.db2.gz ABAQLNOCPRHKKJ-FZKQIMNGSA-N 1 0 356.426 2.608 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000330703739 258168625 /nfs/dbraw/zinc/16/86/25/258168625.db2.gz JIRFKMQMQMCWJK-DOTOQJQBSA-N 1 0 363.458 2.961 20 5 FFBDRO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000331512232 258189132 /nfs/dbraw/zinc/18/91/32/258189132.db2.gz XVHGNKGDHKQVQC-HOTGVXAUSA-N 1 0 353.850 2.933 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@@H]2CCCC[N@H+]2C[C@H]1C ZINC000331980686 258208768 /nfs/dbraw/zinc/20/87/68/258208768.db2.gz FHXJGHDTRNFKDV-WBVHZDCISA-N 1 0 360.458 2.790 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@H]2CCCC[N@H+]2C[C@H]1C ZINC000331980679 258208783 /nfs/dbraw/zinc/20/87/83/258208783.db2.gz FHXJGHDTRNFKDV-NVXWUHKLSA-N 1 0 360.458 2.790 20 5 FFBDRO C[C@H]1CCCC[N@@H+]1CCC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000332030111 258211009 /nfs/dbraw/zinc/21/10/09/258211009.db2.gz HLIPLDNLUDOWGI-INIZCTEOSA-N 1 0 360.458 2.508 20 5 FFBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000332295282 258223766 /nfs/dbraw/zinc/22/37/66/258223766.db2.gz LYSFUHOOKXORCL-STQMWFEESA-N 1 0 369.368 2.753 20 5 FFBDRO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000332348628 258226489 /nfs/dbraw/zinc/22/64/89/258226489.db2.gz ANXXTAGJZIPOKB-LBPRGKRZSA-N 1 0 353.369 2.502 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000332391721 258228477 /nfs/dbraw/zinc/22/84/77/258228477.db2.gz MGMOHSNXWNBPDM-FUHWJXTLSA-N 1 0 361.442 2.570 20 5 FFBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000332631814 258238296 /nfs/dbraw/zinc/23/82/96/258238296.db2.gz RHBCLUWKTMOLPT-KRWDZBQOSA-N 1 0 362.474 2.899 20 5 FFBDRO C[N@H+](CCCc1ccccc1)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000052802633 506253471 /nfs/dbraw/zinc/25/34/71/506253471.db2.gz CZWUJRCOIXXTRF-UHFFFAOYSA-N 1 0 371.393 2.827 20 5 FFBDRO C[NH+](C)C1(CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CCCCCC1 ZINC000032703838 506280778 /nfs/dbraw/zinc/28/07/78/506280778.db2.gz RLJVXEBCQGOBOS-UHFFFAOYSA-N 1 0 363.414 2.708 20 5 FFBDRO CCCCCNC(=O)C1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000065534440 506319010 /nfs/dbraw/zinc/31/90/10/506319010.db2.gz SIYIPRIGSULBGI-UHFFFAOYSA-N 1 0 363.458 2.992 20 5 FFBDRO CN(C(=O)c1cc([N+](=O)[O-])ccc1Br)[C@@H]1CCC[N@H+](C)C1 ZINC000053245508 506341569 /nfs/dbraw/zinc/34/15/69/506341569.db2.gz DVJAHCHGTBVXHX-LLVKDONJSA-N 1 0 356.220 2.524 20 5 FFBDRO C[C@@H](CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)C[NH+]1CCCCC1 ZINC000065874227 506382676 /nfs/dbraw/zinc/38/26/76/506382676.db2.gz CUUMKCFMZBHIPD-HNNXBMFYSA-N 1 0 358.442 2.788 20 5 FFBDRO COc1cc2c(cc1OC)CC[NH+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000366744046 512167917 /nfs/dbraw/zinc/16/79/17/512167917.db2.gz OIOXOQMIRVYMDJ-GOSISDBHSA-N 1 0 372.421 2.746 20 5 FFBDRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000409951891 512173792 /nfs/dbraw/zinc/17/37/92/512173792.db2.gz WUNALBHUJZYHMC-MRXNPFEDSA-N 1 0 366.421 2.979 20 5 FFBDRO C[NH+](C)[C@@H](CNC(=O)NCCc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000054644155 506593939 /nfs/dbraw/zinc/59/39/39/506593939.db2.gz ZURQDIZZFVAOGQ-SFHVURJKSA-N 1 0 374.416 2.879 20 5 FFBDRO Cc1noc([C@H]2CCC[N@H+](CCC(=O)Nc3cccc([N+](=O)[O-])c3C)C2)n1 ZINC000054676247 506601512 /nfs/dbraw/zinc/60/15/12/506601512.db2.gz LJHWIHFIAKILAH-AWEZNQCLSA-N 1 0 373.413 2.803 20 5 FFBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000055758184 506843393 /nfs/dbraw/zinc/84/33/93/506843393.db2.gz WRTQEDKRWLTJSM-JHJVBQTASA-N 1 0 359.430 2.567 20 5 FFBDRO COc1ccccc1CC[N@H+](C)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000067399531 506864505 /nfs/dbraw/zinc/86/45/05/506864505.db2.gz OVYMBQTXYNSGHJ-SFHVURJKSA-N 1 0 369.421 2.883 20 5 FFBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000056066245 506922342 /nfs/dbraw/zinc/92/23/42/506922342.db2.gz OGNXPWBLDKCUEN-UHFFFAOYSA-N 1 0 369.487 2.694 20 5 FFBDRO C[NH+](C)CCOc1ccc(CNC(=O)NCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000057005430 507144115 /nfs/dbraw/zinc/14/41/15/507144115.db2.gz UWYQWPGRGKBDDD-UHFFFAOYSA-N 1 0 372.425 2.535 20 5 FFBDRO Cc1cccc(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)c1[N+](=O)[O-] ZINC000057166331 507193156 /nfs/dbraw/zinc/19/31/56/507193156.db2.gz LCGLIYZXIASYFH-UHFFFAOYSA-N 1 0 354.410 2.693 20 5 FFBDRO CC(C)c1ccc(C[NH+]2CCC([C@@]3(C)NC(=O)NC3=O)CC2)cc1[N+](=O)[O-] ZINC000371326649 512332395 /nfs/dbraw/zinc/33/23/95/512332395.db2.gz JQIDTMINPQACOX-LJQANCHMSA-N 1 0 374.441 2.528 20 5 FFBDRO COc1ccc([C@H](C)[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1F ZINC000024102451 507392916 /nfs/dbraw/zinc/39/29/16/507392916.db2.gz ZCPMAWFGMNPGIO-WFASDCNBSA-N 1 0 364.373 2.833 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000069124327 507415144 /nfs/dbraw/zinc/41/51/44/507415144.db2.gz HFSTYAGEQNZXPU-HNNXBMFYSA-N 1 0 367.471 2.542 20 5 FFBDRO CCCC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000060330693 507523885 /nfs/dbraw/zinc/52/38/85/507523885.db2.gz UVLPOCFGPHJDFM-QGZVFWFLSA-N 1 0 369.487 2.669 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)CCOc1ccccc1 ZINC000026222774 507570092 /nfs/dbraw/zinc/57/00/92/507570092.db2.gz NJMQVRFFHPLFNZ-UHFFFAOYSA-N 1 0 373.409 2.943 20 5 FFBDRO C[C@@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1F ZINC000026713440 507603597 /nfs/dbraw/zinc/60/35/97/507603597.db2.gz MQTQKDSPIDOOMO-RISCZKNCSA-N 1 0 352.337 2.964 20 5 FFBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000367126099 512350038 /nfs/dbraw/zinc/35/00/38/512350038.db2.gz KQRVQTZJGQVBEH-CQSZACIVSA-N 1 0 372.400 2.568 20 5 FFBDRO CC[NH+](CC)CCN(CC(C)C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000071990943 507733717 /nfs/dbraw/zinc/73/37/17/507733717.db2.gz CXDLZKHTJJLOCS-UHFFFAOYSA-N 1 0 371.503 2.892 20 5 FFBDRO CC(C)(C)[N@@H+]1CCCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000063722615 507764187 /nfs/dbraw/zinc/76/41/87/507764187.db2.gz YZGMUEYSCFCXAI-UHFFFAOYSA-N 1 0 371.441 2.727 20 5 FFBDRO CC(C)(C)[N@@H+]1CCCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000063728085 507765894 /nfs/dbraw/zinc/76/58/94/507765894.db2.gz LQDJIGSOYKQQCZ-UHFFFAOYSA-N 1 0 371.441 2.727 20 5 FFBDRO COc1ccc([C@@H](CNc2c([N+](=O)[O-])ncn2C)[NH+]2CCCCC2)cc1 ZINC000029852628 507793046 /nfs/dbraw/zinc/79/30/46/507793046.db2.gz AZYXMDOJUUKTFF-MRXNPFEDSA-N 1 0 359.430 2.976 20 5 FFBDRO C[C@@H]1C[N@@H+](Cc2ccc(CNc3c([N+](=O)[O-])ncn3C)cc2)C[C@H](C)O1 ZINC000030001611 507799645 /nfs/dbraw/zinc/79/96/45/507799645.db2.gz VHKYEUOYNSINSZ-OKILXGFUSA-N 1 0 359.430 2.550 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC[NH+]1CCCCC1 ZINC000064725054 507807160 /nfs/dbraw/zinc/80/71/60/507807160.db2.gz LIUCNLPNWKPBTJ-GFCCVEGCSA-N 1 0 355.822 2.618 20 5 FFBDRO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000072663465 507839629 /nfs/dbraw/zinc/83/96/29/507839629.db2.gz ZVNTVRCBTXKXAG-DYEKYZERSA-N 1 0 361.398 2.915 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC[C@H](C[NH+]3CCOCC3)C2)cc1OC(F)F ZINC000078250010 507850062 /nfs/dbraw/zinc/85/00/62/507850062.db2.gz LNIANTQETWDTRD-CYBMUJFWSA-N 1 0 371.384 2.745 20 5 FFBDRO COCc1cc([N+](=O)[O-])ccc1NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000089644385 507853428 /nfs/dbraw/zinc/85/34/28/507853428.db2.gz IQSAFIQKFWUUFE-OALUTQOASA-N 1 0 371.437 2.789 20 5 FFBDRO Cn1cc(C[NH2+][C@H]2CCN(CC3CC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000108423891 507893743 /nfs/dbraw/zinc/89/37/43/507893743.db2.gz OURWDBIULNLVJJ-KRWDZBQOSA-N 1 0 355.442 2.569 20 5 FFBDRO Cc1c([C@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)cnn1-c1ccc(F)cc1 ZINC000090538404 507926256 /nfs/dbraw/zinc/92/62/56/507926256.db2.gz YTWSGJGZXVMXMZ-LBPRGKRZSA-N 1 0 358.377 2.775 20 5 FFBDRO O=C(COc1ccccc1[N+](=O)[O-])N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000073842879 507960842 /nfs/dbraw/zinc/96/08/42/507960842.db2.gz ZPKQVKVQTUEMBG-KRWDZBQOSA-N 1 0 369.421 2.754 20 5 FFBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H]([NH+](C)C)C1 ZINC000109808324 507988504 /nfs/dbraw/zinc/98/85/04/507988504.db2.gz UCDJOFBJLNVEAM-AAEUAGOBSA-N 1 0 354.838 2.601 20 5 FFBDRO O=[N+]([O-])c1ccc(NCCCC[NH+]2CCN(Cc3ccccc3)CC2)cn1 ZINC000079942135 508017967 /nfs/dbraw/zinc/01/79/67/508017967.db2.gz RNADVTYVHLWPIB-UHFFFAOYSA-N 1 0 369.469 3.000 20 5 FFBDRO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000110521725 508032359 /nfs/dbraw/zinc/03/23/59/508032359.db2.gz JNRKEMAVVJYTMV-MRXNPFEDSA-N 1 0 358.442 2.505 20 5 FFBDRO Cn1cc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000092043075 508036852 /nfs/dbraw/zinc/03/68/52/508036852.db2.gz XPECEGDJMIGYJN-APWZRJJASA-N 1 0 369.469 2.911 20 5 FFBDRO CCc1[nH]nc(C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)c1[N+](=O)[O-] ZINC000092139653 508046158 /nfs/dbraw/zinc/04/61/58/508046158.db2.gz TYHHNHVVDLSGCL-UHFFFAOYSA-N 1 0 357.414 2.771 20 5 FFBDRO Cc1cc(N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)ncc1[N+](=O)[O-] ZINC000074747188 508052097 /nfs/dbraw/zinc/05/20/97/508052097.db2.gz PNONSQQXPGXJDT-QGZVFWFLSA-N 1 0 355.442 2.699 20 5 FFBDRO CC[C@@](C)(O)C[NH2+]Cc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000111384729 508095915 /nfs/dbraw/zinc/09/59/15/508095915.db2.gz OQMZCVBLJZSJDB-CQSZACIVSA-N 1 0 366.336 2.795 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000080959061 508117242 /nfs/dbraw/zinc/11/72/42/508117242.db2.gz MEHFGGDUIYGDQQ-AWEZNQCLSA-N 1 0 357.414 2.835 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+](Cc2ccccc2)C2CCCCC2)c1 ZINC000075645530 508124988 /nfs/dbraw/zinc/12/49/88/508124988.db2.gz BHLQOKVPRBHVKP-LJQANCHMSA-N 1 0 358.442 2.987 20 5 FFBDRO COC(=O)C(C)(C)[C@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000093280808 508134289 /nfs/dbraw/zinc/13/42/89/508134289.db2.gz NHCORNMBXAXXQY-AWEZNQCLSA-N 1 0 350.415 2.885 20 5 FFBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000075861425 508138615 /nfs/dbraw/zinc/13/86/15/508138615.db2.gz KKDFASREYRCHCG-HNNXBMFYSA-N 1 0 359.430 2.951 20 5 FFBDRO Cc1c[nH+]ccc1N1CCC(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000371406163 512380765 /nfs/dbraw/zinc/38/07/65/512380765.db2.gz JGEGFRXRDIGPMS-UHFFFAOYSA-N 1 0 356.382 2.859 20 5 FFBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000081330144 508163070 /nfs/dbraw/zinc/16/30/70/508163070.db2.gz REMPEPWQVFAOKE-HNNXBMFYSA-N 1 0 371.441 2.584 20 5 FFBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000081362236 508167266 /nfs/dbraw/zinc/16/72/66/508167266.db2.gz ZJOOQWLRRVMXFM-OAHLLOKOSA-N 1 0 371.441 2.584 20 5 FFBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000081629862 508198308 /nfs/dbraw/zinc/19/83/08/508198308.db2.gz WWDZHLGMIBQDLG-GDBMZVCRSA-N 1 0 360.458 2.586 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000081634869 508199986 /nfs/dbraw/zinc/19/99/86/508199986.db2.gz DMQGJGVBLNUVKX-MRXNPFEDSA-N 1 0 360.458 2.505 20 5 FFBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@H](c3nnc4ccccn43)C2)c1 ZINC000076397246 508201006 /nfs/dbraw/zinc/20/10/06/508201006.db2.gz HECLFSSGDQOQGF-HNNXBMFYSA-N 1 0 367.409 2.896 20 5 FFBDRO CC[NH+](CC)CCCCNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000112919647 508233522 /nfs/dbraw/zinc/23/35/22/508233522.db2.gz AYGPTCOMJFBDKF-UHFFFAOYSA-N 1 0 373.457 2.847 20 5 FFBDRO Cc1nn(C)c(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c1[N+](=O)[O-] ZINC000098096921 508234186 /nfs/dbraw/zinc/23/41/86/508234186.db2.gz UPCBYAUZKFTILS-UHFFFAOYSA-N 1 0 371.441 2.553 20 5 FFBDRO NC(=O)c1ccc(N2CCC(C[NH+]3CCCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000076721046 508246308 /nfs/dbraw/zinc/24/63/08/508246308.db2.gz SLCVHJMCVFQWEP-UHFFFAOYSA-N 1 0 360.458 2.786 20 5 FFBDRO CC[N@@H+](Cc1ccc2c(c1)OCO2)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000104949346 508354589 /nfs/dbraw/zinc/35/45/89/508354589.db2.gz XRERUWQCMMXBSI-INIZCTEOSA-N 1 0 374.393 2.585 20 5 FFBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000115275024 508380332 /nfs/dbraw/zinc/38/03/32/508380332.db2.gz UMNYCBWUIJQIEU-DYVFJYSZSA-N 1 0 367.421 2.601 20 5 FFBDRO C[C@@H]1C[C@H](Nc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000133526649 508411796 /nfs/dbraw/zinc/41/17/96/508411796.db2.gz LZIJCKFZHPBJIU-OCCSQVGLSA-N 1 0 369.425 2.596 20 5 FFBDRO CNC(=O)c1ccc(NC[C@@H](Cc2ccccc2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000115713907 508430015 /nfs/dbraw/zinc/43/00/15/508430015.db2.gz IDEXVMHZLMHVBU-MRXNPFEDSA-N 1 0 356.426 2.539 20 5 FFBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000121859770 508434612 /nfs/dbraw/zinc/43/46/12/508434612.db2.gz YRFMJEAGCWRCAT-HZMBPMFUSA-N 1 0 370.247 2.770 20 5 FFBDRO Cc1c(C(=O)N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)cccc1[N+](=O)[O-] ZINC000133756190 508445097 /nfs/dbraw/zinc/44/50/97/508445097.db2.gz RYHOMIURMXDPAD-HOTGVXAUSA-N 1 0 374.485 2.534 20 5 FFBDRO C[C@H]([NH2+]C1(CNC(=O)c2c([N+](=O)[O-])cnn2C)CCCC1)c1ccccc1 ZINC000122377144 508525718 /nfs/dbraw/zinc/52/57/18/508525718.db2.gz ZVJYRZNSBUPXCX-AWEZNQCLSA-N 1 0 371.441 2.722 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@@]3(CCO)CCOC3)cs2)c1 ZINC000134421662 508531085 /nfs/dbraw/zinc/53/10/85/508531085.db2.gz MFCLJAHMQOKWJC-QGZVFWFLSA-N 1 0 363.439 2.597 20 5 FFBDRO CC[C@@H](O)CN(CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000134478479 508537902 /nfs/dbraw/zinc/53/79/02/508537902.db2.gz OVNRFRIZEVVWSM-MRXNPFEDSA-N 1 0 357.410 2.806 20 5 FFBDRO C[C@H](CNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000116748331 508554446 /nfs/dbraw/zinc/55/44/46/508554446.db2.gz VDGOALYDABQWEC-LLVKDONJSA-N 1 0 355.822 2.616 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)[C@H]1CCC[N@H+](C)C1 ZINC000153410833 508580926 /nfs/dbraw/zinc/58/09/26/508580926.db2.gz PGAASCZHSOQAEH-YPMHNXCESA-N 1 0 355.822 2.568 20 5 FFBDRO C[C@@H]1C[C@H](N(C)C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC[N@@H+]1C ZINC000122832758 508593403 /nfs/dbraw/zinc/59/34/03/508593403.db2.gz WSQARMJTRPPPTF-NVXWUHKLSA-N 1 0 374.485 2.752 20 5 FFBDRO C[N@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)CCOc1ccccc1 ZINC000117333662 508593824 /nfs/dbraw/zinc/59/38/24/508593824.db2.gz LCDNUAINHSJNSF-UHFFFAOYSA-N 1 0 371.393 2.904 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000128538864 508608063 /nfs/dbraw/zinc/60/80/63/508608063.db2.gz NKCMAKKIDYBTQM-UHFFFAOYSA-N 1 0 373.413 2.560 20 5 FFBDRO Cc1cc(NC(=O)NCc2ccnc(OCC[NH+](C)C)c2)ccc1[N+](=O)[O-] ZINC000153671032 508621488 /nfs/dbraw/zinc/62/14/88/508621488.db2.gz LGJDBUWUWPRUKN-UHFFFAOYSA-N 1 0 373.413 2.560 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000123046331 508627458 /nfs/dbraw/zinc/62/74/58/508627458.db2.gz GUHDFIKBSYWFMJ-ZDUSSCGKSA-N 1 0 350.419 2.942 20 5 FFBDRO CC[NH+](CC)[C@@H](CNC(=O)c1c([N+](=O)[O-])c(C)nn1C)c1ccsc1 ZINC000128704822 508631900 /nfs/dbraw/zinc/63/19/00/508631900.db2.gz ICKLUOASFLWGJS-ZDUSSCGKSA-N 1 0 365.459 2.511 20 5 FFBDRO CCCCN(C)C(=O)C1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000153752777 508641932 /nfs/dbraw/zinc/64/19/32/508641932.db2.gz ZVXQNIUCCDOGCC-GOSISDBHSA-N 1 0 363.458 2.599 20 5 FFBDRO CCOc1ccnc(N2CCC[N@H+](Cc3cccc([N+](=O)[O-])c3C)CC2)n1 ZINC000135799339 508650933 /nfs/dbraw/zinc/65/09/33/508650933.db2.gz DDEWXJCQYOFGBB-UHFFFAOYSA-N 1 0 371.441 2.804 20 5 FFBDRO Cc1c(CN2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)cccc1[N+](=O)[O-] ZINC000153920317 508677256 /nfs/dbraw/zinc/67/72/56/508677256.db2.gz XXDQTAZVUJBSKR-IRXDYDNUSA-N 1 0 360.502 2.894 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c1 ZINC000137448781 508756591 /nfs/dbraw/zinc/75/65/91/508756591.db2.gz NUKCPRRANSFZRA-ZBFHGGJFSA-N 1 0 369.421 2.996 20 5 FFBDRO COc1ccc(C(=O)N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000137485009 508758423 /nfs/dbraw/zinc/75/84/23/508758423.db2.gz OEGGFTCSDLVUIT-PBHICJAKSA-N 1 0 369.421 2.996 20 5 FFBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000159032459 508783310 /nfs/dbraw/zinc/78/33/10/508783310.db2.gz FOGWEPZNRCKSKU-SNVBAGLBSA-N 1 0 356.220 2.571 20 5 FFBDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000124255338 508804671 /nfs/dbraw/zinc/80/46/71/508804671.db2.gz HILGDLKZYURNOK-ZDUSSCGKSA-N 1 0 359.430 2.569 20 5 FFBDRO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000144837963 508841096 /nfs/dbraw/zinc/84/10/96/508841096.db2.gz HQVBYLSIAWHTOD-JKSUJKDBSA-N 1 0 363.458 2.990 20 5 FFBDRO COc1ccc(C[N@H+](C)C[C@@H](C)O)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000130830794 508853040 /nfs/dbraw/zinc/85/30/40/508853040.db2.gz CZAUKWQUJQIOFO-CQSZACIVSA-N 1 0 360.410 2.995 20 5 FFBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000119836075 508872763 /nfs/dbraw/zinc/87/27/63/508872763.db2.gz OXASXQNBVPQYCI-CQSZACIVSA-N 1 0 351.472 2.781 20 5 FFBDRO Cc1c(NC(=O)[C@@H](C)N2CC[C@H](C[NH+]3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000150804738 508896420 /nfs/dbraw/zinc/89/64/20/508896420.db2.gz NNZXVADMAXOUMG-HZPDHXFCSA-N 1 0 360.458 2.648 20 5 FFBDRO C[C@@H]1SCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@@H]1c1ccccc1 ZINC000159834302 508898715 /nfs/dbraw/zinc/89/87/15/508898715.db2.gz ZPMWIUJVEGKWOU-KSSFIOAISA-N 1 0 359.451 2.935 20 5 FFBDRO Cc1sc(S(=O)(=O)NCCC[NH+](C(C)C)C(C)C)cc1[N+](=O)[O-] ZINC000124915504 508905166 /nfs/dbraw/zinc/90/51/66/508905166.db2.gz PTGYZODBCNXBJD-UHFFFAOYSA-N 1 0 363.505 2.752 20 5 FFBDRO O=C(NC1CC1)c1ccc(N2CCC[C@@H]([NH+]3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000150885510 508915362 /nfs/dbraw/zinc/91/53/62/508915362.db2.gz ULJGUWCOVYCTNN-QGZVFWFLSA-N 1 0 372.469 2.942 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000160174885 508949963 /nfs/dbraw/zinc/94/99/63/508949963.db2.gz IRYLDCWMAJDDFO-HNNXBMFYSA-N 1 0 367.471 2.542 20 5 FFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000155287504 508967739 /nfs/dbraw/zinc/96/77/39/508967739.db2.gz AOLDAQOMMKZYSG-UHFFFAOYSA-N 1 0 363.443 2.717 20 5 FFBDRO Cc1c([C@@H](C)[NH2+]Cc2cccnc2N2CCOCC2)cccc1[N+](=O)[O-] ZINC000151248642 508986692 /nfs/dbraw/zinc/98/66/92/508986692.db2.gz QEWJIZWNGCUQSJ-OAHLLOKOSA-N 1 0 356.426 2.986 20 5 FFBDRO COc1cc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)ccc1OCC(F)(F)F ZINC000151273409 508991388 /nfs/dbraw/zinc/99/13/88/508991388.db2.gz HMXLJZZQNKAWMX-UHFFFAOYSA-N 1 0 374.319 2.531 20 5 FFBDRO O=C(CN1CC[C@H]2OCCC[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000155449796 509003568 /nfs/dbraw/zinc/00/35/68/509003568.db2.gz VNABNCUYRGPSSW-IAQYHMDHSA-N 1 0 353.806 2.688 20 5 FFBDRO C[C@H]1C[NH+](C)C[C@H](C)N1C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000155554462 509025038 /nfs/dbraw/zinc/02/50/38/509025038.db2.gz YPBMZGXFZJVRFX-RYUDHWBXSA-N 1 0 355.822 2.568 20 5 FFBDRO CCC(CC)(C[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)OC ZINC000120899581 509085408 /nfs/dbraw/zinc/08/54/08/509085408.db2.gz MPPDOOBIUGXKOZ-UHFFFAOYSA-N 1 0 371.821 2.756 20 5 FFBDRO CCc1n[nH]c(C(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)c1[N+](=O)[O-] ZINC000371502290 512436897 /nfs/dbraw/zinc/43/68/97/512436897.db2.gz NPLKHZGZDGUJPZ-UHFFFAOYSA-N 1 0 371.441 2.537 20 5 FFBDRO CCC[C@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2C)CC[N@@H+]1CCOC ZINC000155936507 509095663 /nfs/dbraw/zinc/09/56/63/509095663.db2.gz AVRCFLZANMJSLU-HNNXBMFYSA-N 1 0 364.446 2.868 20 5 FFBDRO CC1CC[NH+](CCCNC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)CC1 ZINC000161298283 509099120 /nfs/dbraw/zinc/09/91/20/509099120.db2.gz HJTAAAHLAWFQNO-UHFFFAOYSA-N 1 0 360.458 2.785 20 5 FFBDRO C[NH2+][C@H]1CCCN(C(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC000132977037 509099335 /nfs/dbraw/zinc/09/93/35/509099335.db2.gz HYZATVRASWRPNW-HOCLYGCPSA-N 1 0 360.458 2.655 20 5 FFBDRO Cc1nn(C)c(Nc2cccc(N3CC[NH+](C(C)C)CC3)c2)c1[N+](=O)[O-] ZINC000161320650 509101225 /nfs/dbraw/zinc/10/12/25/509101225.db2.gz LOASXVFXVNEFAK-UHFFFAOYSA-N 1 0 358.446 2.911 20 5 FFBDRO CCO[C@@H]1C[C@@H]([N@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000121062915 509120700 /nfs/dbraw/zinc/12/07/00/509120700.db2.gz URQFUOCXNHXYGA-CGTJXYLNSA-N 1 0 364.442 2.614 20 5 FFBDRO CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)[C@H]1CCSC1 ZINC000121159434 509141558 /nfs/dbraw/zinc/14/15/58/509141558.db2.gz MRHYOICRBYSOMX-JTQLQIEISA-N 1 0 374.260 2.733 20 5 FFBDRO C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CCC(CO)CC1 ZINC000156279215 509154660 /nfs/dbraw/zinc/15/46/60/509154660.db2.gz NPXCKPKVUPBRCR-UHFFFAOYSA-N 1 0 355.822 2.670 20 5 FFBDRO CC[NH+]1CCN(c2ccccc2NC(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000175866298 509186416 /nfs/dbraw/zinc/18/64/16/509186416.db2.gz POGXGSKAGYILHC-UHFFFAOYSA-N 1 0 369.425 2.571 20 5 FFBDRO COc1cccc(C(=O)NCC[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000162404319 509217192 /nfs/dbraw/zinc/21/71/92/509217192.db2.gz LIQRUFHCBIGADI-CQSZACIVSA-N 1 0 357.410 2.992 20 5 FFBDRO CC(C)CN1CCO[C@@H](C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000248035722 509220169 /nfs/dbraw/zinc/22/01/69/509220169.db2.gz RNYAJKLQHSFFLD-RBUKOAKNSA-N 1 0 361.486 2.862 20 5 FFBDRO COc1cccc(CN(CC[NH+](C)C)C(=O)c2cc([N+](=O)[O-])cnc2C)c1 ZINC000191956318 509262621 /nfs/dbraw/zinc/26/26/21/509262621.db2.gz IUAAOPFWSMLDNX-UHFFFAOYSA-N 1 0 372.425 2.511 20 5 FFBDRO COC(=O)C[C@H]1CCC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000179122040 509274428 /nfs/dbraw/zinc/27/44/28/509274428.db2.gz SUMCGIJVVPVERK-CQSZACIVSA-N 1 0 359.382 2.820 20 5 FFBDRO O=C(c1cccc([N+](=O)[O-])c1Br)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000182662604 509356889 /nfs/dbraw/zinc/35/68/89/509356889.db2.gz HAAURVAEZRYMRC-LLVKDONJSA-N 1 0 368.231 2.668 20 5 FFBDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000267138305 509362393 /nfs/dbraw/zinc/36/23/93/509362393.db2.gz GXAQGEIURNGXFM-UHFFFAOYSA-N 1 0 371.393 2.988 20 5 FFBDRO CCN(C(=O)c1c([N+](=O)[O-])cnn1C)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000163404593 509372177 /nfs/dbraw/zinc/37/21/77/509372177.db2.gz HYWGBDIMDWKDJE-GOEBONIOSA-N 1 0 371.441 2.626 20 5 FFBDRO C[NH+](C)CCCOC1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000267234717 509404707 /nfs/dbraw/zinc/40/47/07/509404707.db2.gz AULAJGPEFYBNRC-UHFFFAOYSA-N 1 0 350.419 2.559 20 5 FFBDRO O=[N+]([O-])c1cnc(N2CC[C@H](C[NH+]3CCCC3)C2)c(Br)c1 ZINC000267250190 509410387 /nfs/dbraw/zinc/41/03/87/509410387.db2.gz ODSVYDAJOPDBAS-LLVKDONJSA-N 1 0 355.236 2.674 20 5 FFBDRO CN(CC(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC000173131628 509410206 /nfs/dbraw/zinc/41/02/06/509410206.db2.gz CROOHCNREFPZNH-GOSISDBHSA-N 1 0 374.416 2.589 20 5 FFBDRO Cc1ccc(CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C[C@@H]2CCCO2)cc1 ZINC000176271192 509413682 /nfs/dbraw/zinc/41/36/82/509413682.db2.gz WTMXWEBSEFZNSW-SFHVURJKSA-N 1 0 358.442 2.823 20 5 FFBDRO CC(C)[NH+]1CCC(N(C)c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CC1 ZINC000267270201 509420321 /nfs/dbraw/zinc/42/03/21/509420321.db2.gz ZHZKWAXKXLAFKH-UHFFFAOYSA-N 1 0 360.458 2.796 20 5 FFBDRO [NH3+]C[C@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)C1CCCC1 ZINC000236260452 509457287 /nfs/dbraw/zinc/45/72/87/509457287.db2.gz UVEDSMNEGUSIHD-ZDUSSCGKSA-N 1 0 356.220 2.605 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000248778344 509481587 /nfs/dbraw/zinc/48/15/87/509481587.db2.gz HUBOQGXXFKTORG-KBXCAEBGSA-N 1 0 369.421 2.854 20 5 FFBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2Br)C1 ZINC000192371399 509487516 /nfs/dbraw/zinc/48/75/16/509487516.db2.gz NWRGSJPKJPEQQG-WDEREUQCSA-N 1 0 370.247 2.960 20 5 FFBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000248826453 509499728 /nfs/dbraw/zinc/49/97/28/509499728.db2.gz MAABMHMPKPHZLZ-MAUKXSAKSA-N 1 0 353.422 2.774 20 5 FFBDRO COc1cccc(C(=O)NC2CC[NH+](CC3CCCC3)CC2)c1[N+](=O)[O-] ZINC000192461631 509529574 /nfs/dbraw/zinc/52/95/74/509529574.db2.gz CIHUOQMTEVGNSC-UHFFFAOYSA-N 1 0 361.442 2.988 20 5 FFBDRO C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000173326833 509533739 /nfs/dbraw/zinc/53/37/39/509533739.db2.gz WHHCWKSCLZINQM-CYBMUJFWSA-N 1 0 363.439 2.696 20 5 FFBDRO CC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)c1cccc(S(N)(=O)=O)c1 ZINC000183016726 509549060 /nfs/dbraw/zinc/54/90/60/509549060.db2.gz SVTDMVPMMAKBOC-MRXNPFEDSA-N 1 0 363.439 2.792 20 5 FFBDRO C[NH+](C)CCCOC1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000176504786 509550232 /nfs/dbraw/zinc/55/02/32/509550232.db2.gz COCAARFKCZJIGT-UHFFFAOYSA-N 1 0 350.419 2.559 20 5 FFBDRO COC(=O)C[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000165697500 509580375 /nfs/dbraw/zinc/58/03/75/509580375.db2.gz BNWQWHDMJDSECA-AWEZNQCLSA-N 1 0 363.414 2.649 20 5 FFBDRO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000237386145 509637515 /nfs/dbraw/zinc/63/75/15/509637515.db2.gz CANFVVRWLBRFFU-ZYHUDNBSSA-N 1 0 374.363 2.754 20 5 FFBDRO O=C(CC[N@@H+]1CC[C@@H]2OCCC[C@H]2C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000249284625 509647848 /nfs/dbraw/zinc/64/78/48/509647848.db2.gz OWVLWDARAPYHQQ-LRDDRELGSA-N 1 0 351.378 2.563 20 5 FFBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@H]2CCC[NH2+]C2)cc1 ZINC000237456041 509651694 /nfs/dbraw/zinc/65/16/94/509651694.db2.gz YGMCXADINSJSNG-ZDUSSCGKSA-N 1 0 371.393 2.878 20 5 FFBDRO CC(C)C[C@H]1OCCC[C@H]1[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000186341271 509659567 /nfs/dbraw/zinc/65/95/67/509659567.db2.gz GJSAUCOYSDGTHT-SJLPKXTDSA-N 1 0 361.442 2.667 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@]3(O)CCSC3)cs2)c1 ZINC000176753146 509671947 /nfs/dbraw/zinc/67/19/47/509671947.db2.gz NZEPEPHMLFMPSQ-OAHLLOKOSA-N 1 0 351.453 2.676 20 5 FFBDRO COc1cccc([C@H]2[C@@H](NC(=O)c3ccc([N+](=O)[O-])o3)CCN2C2CC2)c1 ZINC000183245881 509677459 /nfs/dbraw/zinc/67/74/59/509677459.db2.gz AJAOZHRDTFPTDX-YJBOKZPZSA-N 1 0 371.393 2.904 20 5 FFBDRO COc1ccc(F)cc1[C@@H](C)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000179940151 509683588 /nfs/dbraw/zinc/68/35/88/509683588.db2.gz HILKAFCLGXIIDN-IUODEOHRSA-N 1 0 364.373 2.833 20 5 FFBDRO CC[C@]1(CO)CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000189657213 509687468 /nfs/dbraw/zinc/68/74/68/509687468.db2.gz YLRWNSPIBADPKX-KRWDZBQOSA-N 1 0 353.394 2.547 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000237630766 509695904 /nfs/dbraw/zinc/69/59/04/509695904.db2.gz AFOOISBAHFWZLD-RYUDHWBXSA-N 1 0 355.822 2.521 20 5 FFBDRO Cc1ccc(NCCCNC(=O)[C@H](C[NH3+])c2ccccc2)c([N+](=O)[O-])c1 ZINC000237668135 509706764 /nfs/dbraw/zinc/70/67/64/509706764.db2.gz VLXDXLXVIONSRX-MRXNPFEDSA-N 1 0 356.426 2.564 20 5 FFBDRO Cn1cc(C(=O)N[C@@H](C[NH3+])C2CCCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237887267 509762240 /nfs/dbraw/zinc/76/22/40/509762240.db2.gz MOLQVMSODWTINR-KRWDZBQOSA-N 1 0 371.441 2.633 20 5 FFBDRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000237917759 509774063 /nfs/dbraw/zinc/77/40/63/509774063.db2.gz ZCEBKAZDPAXEGE-SMDDNHRTSA-N 1 0 370.247 2.534 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCc2ccccc2[C@@H]1CO ZINC000268148578 509782500 /nfs/dbraw/zinc/78/25/00/509782500.db2.gz RCDNBDRGJCQDNL-IBGZPJMESA-N 1 0 369.421 2.824 20 5 FFBDRO CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000186608822 509799679 /nfs/dbraw/zinc/79/96/79/509799679.db2.gz SZNVJRYFVMMFTN-JKSUJKDBSA-N 1 0 370.471 2.552 20 5 FFBDRO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)Nc1ccncc1[N+](=O)[O-] ZINC000183546687 509854903 /nfs/dbraw/zinc/85/49/03/509854903.db2.gz JYVAIQIEQJXDAI-MRXNPFEDSA-N 1 0 355.398 2.948 20 5 FFBDRO O=C(c1csc([N+](=O)[O-])c1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000180303187 509859164 /nfs/dbraw/zinc/85/91/64/509859164.db2.gz HBPKIKKIBNHOPS-UHFFFAOYSA-N 1 0 367.471 2.621 20 5 FFBDRO CC[C@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)CCS1 ZINC000173930050 509860244 /nfs/dbraw/zinc/86/02/44/509860244.db2.gz JHMPUZOQUCSWAZ-ZDUSSCGKSA-N 1 0 353.444 2.759 20 5 FFBDRO Cc1csc([C@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000183566110 509862871 /nfs/dbraw/zinc/86/28/71/509862871.db2.gz MHLOBQKAJSWJHC-CZUORRHYSA-N 1 0 363.439 2.840 20 5 FFBDRO O=C(Nc1ccncc1[N+](=O)[O-])N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000183601584 509881326 /nfs/dbraw/zinc/88/13/26/509881326.db2.gz FDCQRCNRTCRCCL-HNNXBMFYSA-N 1 0 355.398 2.776 20 5 FFBDRO CN(CC[N@H+](C)C1CC1)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000186736985 509882718 /nfs/dbraw/zinc/88/27/18/509882718.db2.gz GEPWNNAJJNPUEG-UHFFFAOYSA-N 1 0 363.461 2.707 20 5 FFBDRO CCc1ccc([C@H](CNC(=O)Nc2ccncc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000183627070 509893417 /nfs/dbraw/zinc/89/34/17/509893417.db2.gz XEFFEJJLBDEDEB-INIZCTEOSA-N 1 0 357.414 2.977 20 5 FFBDRO COc1ccc(OC)c(NC(=O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000180417361 509916146 /nfs/dbraw/zinc/91/61/46/509916146.db2.gz HLDFCICOCAZPMN-GFCCVEGCSA-N 1 0 359.382 2.901 20 5 FFBDRO CC(C)CC[N@@H+]1Cc2cccc(NC(=O)Cn3cc([N+](=O)[O-])cn3)c2C1 ZINC000171073458 509925165 /nfs/dbraw/zinc/92/51/65/509925165.db2.gz WBPBGXKYOCUFNO-UHFFFAOYSA-N 1 0 357.414 2.792 20 5 FFBDRO CC(=O)Nc1ccc(OC[C@@H](O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000180453343 509933268 /nfs/dbraw/zinc/93/32/68/509933268.db2.gz MDOBJXKMVAXXPA-UGSOOPFHSA-N 1 0 373.409 2.644 20 5 FFBDRO CNC(=O)c1ccc(NCc2ccc(F)c(C[NH+](C)C)c2)c([N+](=O)[O-])c1 ZINC000265232444 509935817 /nfs/dbraw/zinc/93/58/17/509935817.db2.gz NGJVLBMJOOEHHJ-UHFFFAOYSA-N 1 0 360.389 2.767 20 5 FFBDRO CC[NH+](CC)[C@H](CNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)c1ccsc1 ZINC000186928522 509956743 /nfs/dbraw/zinc/95/67/43/509956743.db2.gz RVPBUHRCQACTMF-CQSZACIVSA-N 1 0 364.427 2.570 20 5 FFBDRO CN(CC(=O)NC1CC[NH+](C2CCCCC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000177261389 509967605 /nfs/dbraw/zinc/96/76/05/509967605.db2.gz SUYUOBKKGBOJAS-UHFFFAOYSA-N 1 0 374.485 2.944 20 5 FFBDRO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN([C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])CC2 ZINC000245500036 509968831 /nfs/dbraw/zinc/96/88/31/509968831.db2.gz ZHXQLMQCFRQMBM-OAGGEKHMSA-N 1 0 360.458 2.869 20 5 FFBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)[C@H](C)N2CCOCC2)cc1[N+](=O)[O-] ZINC000245500495 509969202 /nfs/dbraw/zinc/96/92/02/509969202.db2.gz AJCRLFHNZQTMDZ-KKUMJFAQSA-N 1 0 351.447 2.753 20 5 FFBDRO COC(=O)c1cnc(NC[C@H](c2cccs2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000190164309 509979488 /nfs/dbraw/zinc/97/94/88/509979488.db2.gz YWNMVSCXTBIHPR-GFCCVEGCSA-N 1 0 350.400 2.553 20 5 FFBDRO COC(=O)c1cnc(NCCC[N@H+](C)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000190166494 509981014 /nfs/dbraw/zinc/98/10/14/509981014.db2.gz DPVJBTLAAKNJOY-UHFFFAOYSA-N 1 0 350.419 2.843 20 5 FFBDRO CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C[C@H]1CCCC[C@H]1O ZINC000245541698 509994140 /nfs/dbraw/zinc/99/41/40/509994140.db2.gz JJWOKJULEMPVBO-IAQYHMDHSA-N 1 0 355.822 2.670 20 5 FFBDRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000180607706 510011221 /nfs/dbraw/zinc/01/12/21/510011221.db2.gz AXISIGMWFYBDEN-UHFFFAOYSA-N 1 0 356.426 2.949 20 5 FFBDRO [NH3+]C1(c2noc(CCNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])n2)CCC1 ZINC000261699613 510031996 /nfs/dbraw/zinc/03/19/96/510031996.db2.gz HZCKHVPHHMKWCZ-UHFFFAOYSA-N 1 0 371.319 2.989 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)[C@@H](C)C1 ZINC000245615720 510040386 /nfs/dbraw/zinc/04/03/86/510040386.db2.gz CVIPXINHGGMJOJ-UGSOOPFHSA-N 1 0 358.442 2.807 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[NH2+]C[C@H]1c1cccc(F)c1 ZINC000261764251 510054823 /nfs/dbraw/zinc/05/48/23/510054823.db2.gz OGFKQNOJSLIIOE-SFHVURJKSA-N 1 0 372.400 2.627 20 5 FFBDRO CCOc1ccc(C(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000261803471 510069861 /nfs/dbraw/zinc/06/98/61/510069861.db2.gz AIKHBAAWCPYHDL-SJORKVTESA-N 1 0 369.421 2.808 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000261803935 510070085 /nfs/dbraw/zinc/07/00/85/510070085.db2.gz MVNKWPHUPZFFSJ-GFCCVEGCSA-N 1 0 367.833 2.618 20 5 FFBDRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)c3c(N)cccc3[N+](=O)[O-])C2)CC1 ZINC000180726519 510076431 /nfs/dbraw/zinc/07/64/31/510076431.db2.gz KSTAHXAETIGRJG-HNNXBMFYSA-N 1 0 360.458 2.761 20 5 FFBDRO [NH3+]C[C@@H]1CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)C[C@H]1c1ccccc1 ZINC000261886426 510101344 /nfs/dbraw/zinc/10/13/44/510101344.db2.gz ZCBZIKHVXDPLEY-QAPCUYQASA-N 1 0 371.462 2.888 20 5 FFBDRO Cn1cc(C[NH2+]CCCOC2CCOCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000174462565 510126581 /nfs/dbraw/zinc/12/65/81/510126581.db2.gz FJSRJVZDSNTWMB-UHFFFAOYSA-N 1 0 374.441 2.671 20 5 FFBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000174536713 510166162 /nfs/dbraw/zinc/16/61/62/510166162.db2.gz AILAKFJBCPFXPW-MRXNPFEDSA-N 1 0 374.485 2.611 20 5 FFBDRO C[NH2+]CCC1CCN(C(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000262104335 510179433 /nfs/dbraw/zinc/17/94/33/510179433.db2.gz TYDGJLWQTSVMNR-GFCCVEGCSA-N 1 0 369.849 2.864 20 5 FFBDRO C[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)N1CC(=O)Nc2ccccc21 ZINC000194058755 510195694 /nfs/dbraw/zinc/19/56/94/510195694.db2.gz LPQZJRQZYQAHPG-STQMWFEESA-N 1 0 368.393 2.619 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)[C@@H](C)C1 ZINC000245930842 510213588 /nfs/dbraw/zinc/21/35/88/510213588.db2.gz YLQFHDVUSLADMN-GOEBONIOSA-N 1 0 371.441 2.583 20 5 FFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC000177782857 510250827 /nfs/dbraw/zinc/25/08/27/510250827.db2.gz ISMPGIDGAFPPAZ-OLZOCXBDSA-N 1 0 362.386 2.510 20 5 FFBDRO C[C@H]1C[C@H](NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C[N@@H+]1C1CC1 ZINC000177788001 510253255 /nfs/dbraw/zinc/25/32/55/510253255.db2.gz MRLUWPJXGYKOCY-HOCLYGCPSA-N 1 0 360.458 2.842 20 5 FFBDRO O=C(C[N@@H+]1CCC[C@@H]2CCCC[C@@H]21)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000181084434 510271131 /nfs/dbraw/zinc/27/11/31/510271131.db2.gz WPEMUKSYYJMMQQ-JSGCOSHPSA-N 1 0 361.398 2.917 20 5 FFBDRO O=C(NCCCCC[NH+]1CCCCC1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000181230726 510312653 /nfs/dbraw/zinc/31/26/53/510312653.db2.gz XGLMISJCDHUSGR-UHFFFAOYSA-N 1 0 363.414 2.710 20 5 FFBDRO C[C@@H](Nc1ccc(C(=O)NC(C)(C)C[NH3+])cc1[N+](=O)[O-])c1ccccn1 ZINC000262556323 510315301 /nfs/dbraw/zinc/31/53/01/510315301.db2.gz YOGCOYMQDMYJKB-GFCCVEGCSA-N 1 0 357.414 2.630 20 5 FFBDRO CC1(CNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[NH2+]CC1 ZINC000181275118 510332961 /nfs/dbraw/zinc/33/29/61/510332961.db2.gz CGZQARWIQUUKGZ-UHFFFAOYSA-N 1 0 360.439 2.838 20 5 FFBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000246192175 510352396 /nfs/dbraw/zinc/35/23/96/510352396.db2.gz UIOHIAQFRDTFHP-STQMWFEESA-N 1 0 368.865 2.849 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)[C@H](C)C1 ZINC000266007661 510355994 /nfs/dbraw/zinc/35/59/94/510355994.db2.gz RPEBHYPAAMJZLQ-PBHICJAKSA-N 1 0 358.442 2.738 20 5 FFBDRO Cc1ccc(CN(CC[NH+](C)C)C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])o1 ZINC000269380558 510373906 /nfs/dbraw/zinc/37/39/06/510373906.db2.gz JDJYLLDOONQPAY-UHFFFAOYSA-N 1 0 363.418 2.547 20 5 FFBDRO CCc1n[nH]c(C(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000171806371 510381499 /nfs/dbraw/zinc/38/14/99/510381499.db2.gz FLEUFKRODVZSTM-MRXNPFEDSA-N 1 0 371.441 2.756 20 5 FFBDRO C[C@H]([NH2+]C1(CNC(=O)Cn2cc([N+](=O)[O-])cn2)CCCC1)c1ccccc1 ZINC000171827165 510394788 /nfs/dbraw/zinc/39/47/88/510394788.db2.gz KRGOBRLHVQJHLB-HNNXBMFYSA-N 1 0 371.441 2.571 20 5 FFBDRO COC[C@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1ccco1 ZINC000184625488 510426163 /nfs/dbraw/zinc/42/61/63/510426163.db2.gz SUPLTVCEBUNECW-AWEZNQCLSA-N 1 0 363.370 2.502 20 5 FFBDRO CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000266169435 510444851 /nfs/dbraw/zinc/44/48/51/510444851.db2.gz QSGZWQJTLPNJAB-SFHVURJKSA-N 1 0 366.421 2.831 20 5 FFBDRO C[C@@H](NC(=O)CN(C)c1ccccc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181547894 510465841 /nfs/dbraw/zinc/46/58/41/510465841.db2.gz IWEGGORCUWLMNP-CVEARBPZSA-N 1 0 374.485 2.800 20 5 FFBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N[C@H]3CC[NH2+]C[C@@H]3C)cc2[N+](=O)[O-])C1 ZINC000262918262 510476023 /nfs/dbraw/zinc/47/60/23/510476023.db2.gz ZCDAIAGGGOUBAT-IVSAIRAKSA-N 1 0 374.485 2.805 20 5 FFBDRO CCC[NH+]1CCC(N(C)S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)CC1 ZINC000175089895 510479280 /nfs/dbraw/zinc/47/92/80/510479280.db2.gz WGNALPNQANRGOL-UHFFFAOYSA-N 1 0 369.487 2.707 20 5 FFBDRO CCC[N@@H+]1CC[C@H](CNC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000184739964 510492707 /nfs/dbraw/zinc/49/27/07/510492707.db2.gz OCDRJGBDNUCJJZ-GFCCVEGCSA-N 1 0 354.838 2.779 20 5 FFBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000266343327 510529366 /nfs/dbraw/zinc/52/93/66/510529366.db2.gz AWCDBYRBYPMDGS-ZDUSSCGKSA-N 1 0 369.849 2.817 20 5 FFBDRO C[NH+](C)Cc1cc(CNC(=O)NCc2ccccc2[N+](=O)[O-])ccc1F ZINC000172077309 510533095 /nfs/dbraw/zinc/53/30/95/510533095.db2.gz SEMANNLVRFORIF-UHFFFAOYSA-N 1 0 360.389 2.795 20 5 FFBDRO CCOC(=O)c1ccnc(NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000246598984 510576321 /nfs/dbraw/zinc/57/63/21/510576321.db2.gz ABURXHSMVUAFAU-OLZOCXBDSA-N 1 0 350.419 2.699 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H](Cc2ccccc2)c2cccs2)c1 ZINC000184968576 510609667 /nfs/dbraw/zinc/60/96/67/510609667.db2.gz JQHUGUHQUDWFLH-DLBZAZTESA-N 1 0 372.450 2.787 20 5 FFBDRO CC[NH+](CC)CCCC1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000181831111 510616389 /nfs/dbraw/zinc/61/63/89/510616389.db2.gz SWZXXHWBGMLEHE-UHFFFAOYSA-N 1 0 360.462 2.976 20 5 FFBDRO COC(=O)c1ccc(NC(=O)C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000181838172 510619694 /nfs/dbraw/zinc/61/96/94/510619694.db2.gz KJFGDCHHLKTRAK-CYBMUJFWSA-N 1 0 371.393 2.979 20 5 FFBDRO COc1ccc(C[N@H+](C)C[C@@H](O)COCc2ccccc2)cc1[N+](=O)[O-] ZINC000172251779 510627814 /nfs/dbraw/zinc/62/78/14/510627814.db2.gz QNFFTWOJJUWXOW-QGZVFWFLSA-N 1 0 360.410 2.613 20 5 FFBDRO Cc1c(NC(=O)[C@H](C)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cccc1[N+](=O)[O-] ZINC000246710724 510629311 /nfs/dbraw/zinc/62/93/11/510629311.db2.gz FFFILKRZSWGHFJ-RLFYNMQTSA-N 1 0 360.458 2.646 20 5 FFBDRO Cc1nc2ccccc2n1C[C@@H]1CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000270126147 510685429 /nfs/dbraw/zinc/68/54/29/510685429.db2.gz GJKQUNLTFUEBGZ-HNNXBMFYSA-N 1 0 354.414 2.614 20 5 FFBDRO C[N@H+](CCNC(=O)NCc1ccc([N+](=O)[O-])cc1)Cc1ccc(F)cc1 ZINC000175659781 510718759 /nfs/dbraw/zinc/71/87/59/510718759.db2.gz KXZOTAUSUWAGAG-UHFFFAOYSA-N 1 0 360.389 2.665 20 5 FFBDRO C[C@@H](Cc1ccc(O)cc1)[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182033560 510722061 /nfs/dbraw/zinc/72/20/61/510722061.db2.gz YBCGXCRPLKEUMI-YOEHRIQHSA-N 1 0 360.410 2.603 20 5 FFBDRO Cc1nccn1C[C@H](C)C[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000178700220 510728240 /nfs/dbraw/zinc/72/82/40/510728240.db2.gz FTMFLGNTNUMBDF-ZIAGYGMSSA-N 1 0 359.430 2.743 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCN(Cc2ccccn2)C[C@H]1C ZINC000246935940 510754696 /nfs/dbraw/zinc/75/46/96/510754696.db2.gz HIGNNOBBQDMSSD-DNVCBOLYSA-N 1 0 370.453 2.999 20 5 FFBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[N@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000191631179 510760745 /nfs/dbraw/zinc/76/07/45/510760745.db2.gz KUDNIARICWDJDE-OAHLLOKOSA-N 1 0 371.441 2.548 20 5 FFBDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000191653299 510773908 /nfs/dbraw/zinc/77/39/08/510773908.db2.gz NAUSFVVCWWQOOT-GJZGRUSLSA-N 1 0 360.458 2.904 20 5 FFBDRO C[C@@H]([NH2+]Cc1cnc(N2CCOCC2)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000185283087 510789625 /nfs/dbraw/zinc/78/96/25/510789625.db2.gz RRILKRLQXPEWJZ-CYBMUJFWSA-N 1 0 360.389 2.816 20 5 FFBDRO CN(C)c1cccc(C[N@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000182218920 510818257 /nfs/dbraw/zinc/81/82/57/510818257.db2.gz ZGBYUTOSMVQMKF-KRWDZBQOSA-N 1 0 359.426 2.533 20 5 FFBDRO Cc1cc(S(=O)(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000172610529 510819220 /nfs/dbraw/zinc/81/92/20/510819220.db2.gz AFMXDGVUUVTAAO-HNNXBMFYSA-N 1 0 367.471 2.542 20 5 FFBDRO O=[N+]([O-])c1ccccc1N1CC[NH+](C[C@@H](O)CCc2ccccc2)CC1 ZINC000182228947 510823901 /nfs/dbraw/zinc/82/39/01/510823901.db2.gz VVWHGRLDRUYHBL-SFHVURJKSA-N 1 0 355.438 2.711 20 5 FFBDRO C[C@H](CCNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)[NH+]1CCCCC1 ZINC000182261915 510836956 /nfs/dbraw/zinc/83/69/56/510836956.db2.gz IURQKTHFAUTAAR-OAHLLOKOSA-N 1 0 371.441 2.775 20 5 FFBDRO CC(=O)N1CC[C@H](C[N@@H+](C)[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000247159523 510847076 /nfs/dbraw/zinc/84/70/76/510847076.db2.gz XPCJQVIKZKOTPM-TZMCWYRMSA-N 1 0 373.413 2.506 20 5 FFBDRO C[C@@H]1C[N@@H+](CC2CCN(C(=O)c3csc([N+](=O)[O-])c3)CC2)C[C@H](C)O1 ZINC000263839674 510852289 /nfs/dbraw/zinc/85/22/89/510852289.db2.gz VRIYENHCXLYMJP-BETUJISGSA-N 1 0 367.471 2.618 20 5 FFBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000247216402 510852724 /nfs/dbraw/zinc/85/27/24/510852724.db2.gz CKUCIAZYQPYRRM-NVXWUHKLSA-N 1 0 374.485 2.610 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000247382288 510859323 /nfs/dbraw/zinc/85/93/23/510859323.db2.gz LMQMEQIDLOSVLI-RDJZCZTQSA-N 1 0 374.485 2.997 20 5 FFBDRO COc1cc(C(=O)NCCCCC[NH+]2CCCC2)c([N+](=O)[O-])cc1OC ZINC000293860684 510878265 /nfs/dbraw/zinc/87/82/65/510878265.db2.gz GZPBGQWEAGOJLE-UHFFFAOYSA-N 1 0 365.430 2.608 20 5 FFBDRO NC(=O)[C@H]([NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])c1ccccn1 ZINC000297314449 510899336 /nfs/dbraw/zinc/89/93/36/510899336.db2.gz NAFQNWZGRZVZSU-QIIPPGSGSA-N 1 0 354.410 2.517 20 5 FFBDRO CC(C)[C@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)c1nncn1C ZINC000285500322 510931336 /nfs/dbraw/zinc/93/13/36/510931336.db2.gz XMGZXBWAFQOPMP-KRWDZBQOSA-N 1 0 370.413 2.908 20 5 FFBDRO C[C@H]1OCC[C@]12CN(Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)CCO2 ZINC000294089306 510951623 /nfs/dbraw/zinc/95/16/23/510951623.db2.gz LRFSVFCOLLKVIN-ABAIWWIYSA-N 1 0 360.332 2.993 20 5 FFBDRO CC[N@H+](CCNC(=O)c1cc([N+](=O)[O-])ccc1SCCOC)C1CC1 ZINC000270704498 510956353 /nfs/dbraw/zinc/95/63/53/510956353.db2.gz MRUHEAQHSQQOSI-UHFFFAOYSA-N 1 0 367.471 2.547 20 5 FFBDRO NC(=O)c1ccc(CN2CCS[C@H](c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000364596109 510960276 /nfs/dbraw/zinc/96/02/76/510960276.db2.gz SBOHYJUTPMTGMV-KRWDZBQOSA-N 1 0 357.435 2.984 20 5 FFBDRO Cc1nc(N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)ncc1[N+](=O)[O-] ZINC000297481642 510962563 /nfs/dbraw/zinc/96/25/63/510962563.db2.gz LTJJNAIKVOAQSY-UHFFFAOYSA-N 1 0 351.357 2.540 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000285599107 510972246 /nfs/dbraw/zinc/97/22/46/510972246.db2.gz PLYPOAPZQIIPDX-DOTOQJQBSA-N 1 0 360.458 2.790 20 5 FFBDRO COC(=O)Cc1ccc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c([N+](=O)[O-])c1 ZINC000297612331 511008402 /nfs/dbraw/zinc/00/84/02/511008402.db2.gz VREYFFQMGFHLGH-CVEARBPZSA-N 1 0 361.442 2.762 20 5 FFBDRO COc1cc(C(=O)NCc2cccc(C[NH+](C)C)c2)c([N+](=O)[O-])cc1F ZINC000294293873 511016909 /nfs/dbraw/zinc/01/69/09/511016909.db2.gz FIGJSVWABFKFOM-UHFFFAOYSA-N 1 0 361.373 2.734 20 5 FFBDRO COc1ccc(NC(=O)CC[N@@H+]2CCO[C@@H]3CCCC[C@H]32)c([N+](=O)[O-])c1 ZINC000297702929 511040207 /nfs/dbraw/zinc/04/02/07/511040207.db2.gz AVCIOPUDOSADIB-NVXWUHKLSA-N 1 0 363.414 2.575 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H](c2ccncn2)C1 ZINC000361650748 511074243 /nfs/dbraw/zinc/07/42/43/511074243.db2.gz AVBSYEKDDOJABC-HNNXBMFYSA-N 1 0 369.425 2.901 20 5 FFBDRO CN(C)[C@@H](CNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000282711468 511082032 /nfs/dbraw/zinc/08/20/32/511082032.db2.gz BLXZAXLEKPXSLL-INIZCTEOSA-N 1 0 360.414 2.675 20 5 FFBDRO COc1cc(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)c([N+](=O)[O-])cc1F ZINC000294504082 511087028 /nfs/dbraw/zinc/08/70/28/511087028.db2.gz XGRNUEHKYNARIL-INIZCTEOSA-N 1 0 361.373 2.775 20 5 FFBDRO COC(=O)[C@@H]1CC12CC[NH+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)CC2 ZINC000271194621 511115784 /nfs/dbraw/zinc/11/57/84/511115784.db2.gz QWLFNAQPFSPPIQ-ZDUSSCGKSA-N 1 0 370.352 2.971 20 5 FFBDRO CCC[NH+]1CCC(N(C)C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)CC1 ZINC000294601557 511117579 /nfs/dbraw/zinc/11/75/79/511117579.db2.gz RJRCHFQMGRKVSX-UHFFFAOYSA-N 1 0 371.441 2.931 20 5 FFBDRO C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)CCc1cnccn1 ZINC000271287221 511150594 /nfs/dbraw/zinc/15/05/94/511150594.db2.gz BFLDMCAXWJQZOC-UHFFFAOYSA-N 1 0 353.382 2.757 20 5 FFBDRO Cn1c(Sc2ccc([N+](=O)[O-])c3cccnc23)nnc1C1CC[NH2+]CC1 ZINC000271304319 511156882 /nfs/dbraw/zinc/15/68/82/511156882.db2.gz KZHZPMLKFQGPNP-UHFFFAOYSA-N 1 0 370.438 2.890 20 5 FFBDRO CS(=O)(=O)C1(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCC1 ZINC000279647832 511160970 /nfs/dbraw/zinc/16/09/70/511160970.db2.gz DPMWIMXDTWIJIA-UHFFFAOYSA-N 1 0 364.423 2.912 20 5 FFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](CO)C[C@H](O)c1ccccc1 ZINC000271532102 511236510 /nfs/dbraw/zinc/23/65/10/511236510.db2.gz RGEYPKDQGKFHQE-BPAFIMBUSA-N 1 0 358.438 2.990 20 5 FFBDRO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCN(C2CCOCC2)C1=O ZINC000365098132 511254972 /nfs/dbraw/zinc/25/49/72/511254972.db2.gz HZVFRJNLKGKLGA-SFHVURJKSA-N 1 0 361.442 2.585 20 5 FFBDRO COc1ccc(NC(=O)CC[N@@H+]2CCCC[C@H]2C[C@H](C)O)c([N+](=O)[O-])c1 ZINC000298356572 511256631 /nfs/dbraw/zinc/25/66/31/511256631.db2.gz CCRAWWXNKPEJGG-KBPBESRZSA-N 1 0 365.430 2.557 20 5 FFBDRO COc1ccc([C@@H](C)[NH2+]CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)cc1 ZINC000271653734 511276320 /nfs/dbraw/zinc/27/63/20/511276320.db2.gz JTCGVOUDVSXYQM-LLVKDONJSA-N 1 0 373.365 2.621 20 5 FFBDRO O=C(NC[C@@H]1CCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1)C(F)(F)F ZINC000291633615 511276361 /nfs/dbraw/zinc/27/63/61/511276361.db2.gz SPYMBJBMXGZFFJ-LVDDQXARSA-N 1 0 371.359 2.999 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000298698216 511379515 /nfs/dbraw/zinc/37/95/15/511379515.db2.gz ZSKUUYKHUGMLKW-HOTGVXAUSA-N 1 0 363.414 2.575 20 5 FFBDRO Cc1c([C@@H](C)[NH2+]C[C@](O)(c2nccn2C)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000272030250 511405993 /nfs/dbraw/zinc/40/59/93/511405993.db2.gz DYOLMWOQPWARFH-ABAIWWIYSA-N 1 0 372.347 2.737 20 5 FFBDRO CN(C)Cc1ccnc(NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000295438753 511405949 /nfs/dbraw/zinc/40/59/49/511405949.db2.gz XABWDWITEWFXNX-UHFFFAOYSA-N 1 0 356.382 2.653 20 5 FFBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000292058707 511449444 /nfs/dbraw/zinc/44/94/44/511449444.db2.gz BMTHXDYRJZGVAW-HUUCEWRRSA-N 1 0 360.458 2.728 20 5 FFBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H](c3nnc(C4CCCCC4)[nH]3)C2)c1 ZINC000272179835 511456099 /nfs/dbraw/zinc/45/60/99/511456099.db2.gz CQSUEGDMUYODRY-OAHLLOKOSA-N 1 0 373.461 2.837 20 5 FFBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1 ZINC000272205176 511464955 /nfs/dbraw/zinc/46/49/55/511464955.db2.gz ZDHMXJJIGPLGPU-DOMZBBRYSA-N 1 0 353.369 2.629 20 5 FFBDRO C[C@@H]1C[C@@H](c2cccnc2)[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000365588061 511545198 /nfs/dbraw/zinc/54/51/98/511545198.db2.gz UENKQNZMYJPZRG-HFTRVMKXSA-N 1 0 357.410 2.813 20 5 FFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCN1CCC(O)CC1 ZINC000295949838 511565345 /nfs/dbraw/zinc/56/53/45/511565345.db2.gz MBUALYVTRSOXFM-AWEZNQCLSA-N 1 0 353.488 2.512 20 5 FFBDRO CS[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000284206033 511642068 /nfs/dbraw/zinc/64/20/68/511642068.db2.gz SRNMCESMTRYXOK-HZPDHXFCSA-N 1 0 366.443 2.515 20 5 FFBDRO CC(C)[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1(CO)CCC1 ZINC000292829053 511735932 /nfs/dbraw/zinc/73/59/32/511735932.db2.gz QYMBAMBGQZPTPQ-QGZVFWFLSA-N 1 0 350.415 2.738 20 5 FFBDRO COc1cccc(-c2nc([C@H]3C[N@@H+]4CCC[C@]4(C)CO3)no2)c1[N+](=O)[O-] ZINC000350346474 511785731 /nfs/dbraw/zinc/78/57/31/511785731.db2.gz ARINAHLAGUCPHW-CXAGYDPISA-N 1 0 360.370 2.579 20 5 FFBDRO COc1cccc(S(=O)(=O)CC[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000296535487 511786015 /nfs/dbraw/zinc/78/60/15/511786015.db2.gz DODJZARPYYGVGK-ZDUSSCGKSA-N 1 0 364.423 2.728 20 5 FFBDRO Cc1ccc(C(=O)N2C[C@H](C[NH+](C)C)Oc3ccccc32)cc1[N+](=O)[O-] ZINC000363879692 511827102 /nfs/dbraw/zinc/82/71/02/511827102.db2.gz PJEJBEATVFOQEF-HNNXBMFYSA-N 1 0 355.394 2.873 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000324966658 511842935 /nfs/dbraw/zinc/84/29/35/511842935.db2.gz MDARQAURUKZJJB-OLZOCXBDSA-N 1 0 373.862 2.543 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]2)cc1C ZINC000327781401 511881516 /nfs/dbraw/zinc/88/15/16/511881516.db2.gz ZGXULCNOGYPALD-CABCVRRESA-N 1 0 367.471 2.507 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]2)cc1C ZINC000327781404 511882400 /nfs/dbraw/zinc/88/24/00/511882400.db2.gz ZGXULCNOGYPALD-HUUCEWRRSA-N 1 0 367.471 2.507 20 5 FFBDRO COc1ccccc1COC[C@@H](O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296846451 511921317 /nfs/dbraw/zinc/92/13/17/511921317.db2.gz XQNBBSRPIMWPTI-KSSFIOAISA-N 1 0 360.410 2.832 20 5 FFBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000296881959 511934558 /nfs/dbraw/zinc/93/45/58/511934558.db2.gz XASFSLDDULKVQM-CYBMUJFWSA-N 1 0 371.441 2.787 20 5 FFBDRO Cc1c(NC(=O)NC[C@H]2CC[N@@H+](C)C2)cc(Br)cc1[N+](=O)[O-] ZINC000297099884 512019481 /nfs/dbraw/zinc/01/94/81/512019481.db2.gz MDYSWWYFOJPHBM-SNVBAGLBSA-N 1 0 371.235 2.739 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H](C[N@H+](C)CC)C1 ZINC000281949058 512022492 /nfs/dbraw/zinc/02/24/92/512022492.db2.gz MBAULVMTEGFRMG-CYBMUJFWSA-N 1 0 350.419 2.799 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H]([NH3+])C1 ZINC000297226074 512068108 /nfs/dbraw/zinc/06/81/08/512068108.db2.gz OKHYSFGZHXKHIW-FUHWJXTLSA-N 1 0 357.385 2.999 20 5 FFBDRO Cc1cc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)ccc1-n1cncn1 ZINC000369556842 512476997 /nfs/dbraw/zinc/47/69/97/512476997.db2.gz PSMQQPBJOLODMQ-UHFFFAOYSA-N 1 0 367.413 2.518 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000373777712 512500326 /nfs/dbraw/zinc/50/03/26/512500326.db2.gz ODGZGHRZCMLRSX-AWEZNQCLSA-N 1 0 357.414 2.521 20 5 FFBDRO O=C1NCCN1[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000367475453 512519663 /nfs/dbraw/zinc/51/96/63/512519663.db2.gz YRPDFPBQXWQPRT-MRXNPFEDSA-N 1 0 370.409 2.844 20 5 FFBDRO CC(C)[NH+]1CCN([C@H]2CCN(c3ccc([N+](=O)[O-])c4cnccc43)C2)CC1 ZINC000375867667 512545163 /nfs/dbraw/zinc/54/51/63/512545163.db2.gz DUKXHTOIBZQEEJ-INIZCTEOSA-N 1 0 369.469 2.748 20 5 FFBDRO COc1ccc(OCC[N@@H+]2CCC[C@H](c3ccncn3)C2)c([N+](=O)[O-])c1 ZINC000371785416 512573318 /nfs/dbraw/zinc/57/33/18/512573318.db2.gz MYSMGTHLHUUFHX-AWEZNQCLSA-N 1 0 358.398 2.652 20 5 FFBDRO C[C@@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@]2(CCO[C@H](C)C2)O1 ZINC000374015515 512623873 /nfs/dbraw/zinc/62/38/73/512623873.db2.gz VZJLRBJVHHBXER-IIDMSEBBSA-N 1 0 350.415 2.632 20 5 FFBDRO Cc1ccc(N2CC[C@H]([NH+]3CCC(n4ccc([N+](=O)[O-])n4)CC3)C2=O)cc1 ZINC000376036079 512628466 /nfs/dbraw/zinc/62/84/66/512628466.db2.gz WIQCTSRTFBTGTN-KRWDZBQOSA-N 1 0 369.425 2.542 20 5 FFBDRO O=c1[nH]c(N2CCC(C[NH+]3CCCC3)CC2)nc2ccc([N+](=O)[O-])cc12 ZINC000376081689 512651841 /nfs/dbraw/zinc/65/18/41/512651841.db2.gz QJBJJEZIPFFPDE-UHFFFAOYSA-N 1 0 357.414 2.556 20 5 FFBDRO C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCC[N@@H+]2CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000374169852 512689546 /nfs/dbraw/zinc/68/95/46/512689546.db2.gz GURCWZVDKSGFST-SZXPJGKVSA-N 1 0 361.442 2.795 20 5 FFBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N1CCC(C[NH+]2CCCC2)CC1 ZINC000374229503 512716724 /nfs/dbraw/zinc/71/67/24/512716724.db2.gz LOVGLTAVUJHWJG-UHFFFAOYSA-N 1 0 361.442 2.698 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCC[C@@H]1C[C@@H](C)O ZINC000411681015 512755529 /nfs/dbraw/zinc/75/55/29/512755529.db2.gz VQHHDLBJNFAFON-ZIAGYGMSSA-N 1 0 365.430 2.557 20 5 FFBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])c3cccnc32)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000374306569 512756691 /nfs/dbraw/zinc/75/66/91/512756691.db2.gz AVAFTHWHGXTUJC-NVXWUHKLSA-N 1 0 369.469 2.605 20 5 FFBDRO Cn1ccnc1[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000368137234 512817699 /nfs/dbraw/zinc/81/76/99/512817699.db2.gz YKUHLSSWYYGSMP-NSHDSACASA-N 1 0 352.341 2.919 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N3CC[C@H]4CC[NH2+][C@H]4C3)cc2[N+](=O)[O-])CC1 ZINC000376458417 512826993 /nfs/dbraw/zinc/82/69/93/512826993.db2.gz QNTDRVVTEPDWMA-WBVHZDCISA-N 1 0 372.469 2.655 20 5 FFBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@H](O)Cc3cccc(Cl)c3)CC2)n1 ZINC000376509045 512850049 /nfs/dbraw/zinc/85/00/49/512850049.db2.gz ZCXFKWZQCWYODT-MRXNPFEDSA-N 1 0 364.833 2.685 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)NC2CCN(c3ccccn3)CC2)c1F ZINC000376549975 512868334 /nfs/dbraw/zinc/86/83/34/512868334.db2.gz BYUBPZZLKILZEQ-UHFFFAOYSA-N 1 0 358.373 2.836 20 5 FFBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CCO[C@@]3(CCOC3)C2)cc1[N+](=O)[O-] ZINC000374525500 512873459 /nfs/dbraw/zinc/87/34/59/512873459.db2.gz CDNHYLFEAWUQDE-YEWWUXTCSA-N 1 0 350.415 2.982 20 5 FFBDRO O=C(CC[N@@H+]1C[C@H](O)C[C@H]1c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000411920926 512875678 /nfs/dbraw/zinc/87/56/78/512875678.db2.gz CUAIMRAAEPBEFY-QAPCUYQASA-N 1 0 355.394 2.731 20 5 FFBDRO NC(=O)[C@@]1(c2ccccc2)CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000411962556 512891740 /nfs/dbraw/zinc/89/17/40/512891740.db2.gz GNGBBLFFRHSMNA-SFHVURJKSA-N 1 0 359.813 2.877 20 5 FFBDRO Cc1ccnc(C2CC[NH+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000368326258 512900086 /nfs/dbraw/zinc/90/00/86/512900086.db2.gz FNDIVWXOSIYZTQ-UHFFFAOYSA-N 1 0 369.425 2.901 20 5 FFBDRO CNc1c(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000389892136 512903904 /nfs/dbraw/zinc/90/39/04/512903904.db2.gz WOLVNSRVWOVZMD-YOEHRIQHSA-N 1 0 368.437 2.887 20 5 FFBDRO CNc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000389952308 512904118 /nfs/dbraw/zinc/90/41/18/512904118.db2.gz SNMINEUWGIKXND-RDTXWAMCSA-N 1 0 368.437 2.887 20 5 FFBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000412007404 512909827 /nfs/dbraw/zinc/90/98/27/512909827.db2.gz DLORYHYYJXJGLY-IBGZPJMESA-N 1 0 369.421 2.610 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2C[C@H]3CCCC[C@]32c2ccccc2)c1 ZINC000370706822 513063141 /nfs/dbraw/zinc/06/31/41/513063141.db2.gz FVDFXYLXHBDWBE-QRQLOZEOSA-N 1 0 356.426 2.554 20 5 FFBDRO CCOC(=O)c1cc(NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000433710108 513133047 /nfs/dbraw/zinc/13/30/47/513133047.db2.gz RBPFCOOGGONTAC-ZIAGYGMSSA-N 1 0 365.430 2.683 20 5 FFBDRO O=[N+]([O-])c1cccc2c1ccnc2N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000450327785 513145132 /nfs/dbraw/zinc/14/51/32/513145132.db2.gz FKAZAUZRSIPVOQ-HNNXBMFYSA-N 1 0 356.426 2.692 20 5 FFBDRO Cc1cc(C[NH3+])cc(NC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000424443613 513148069 /nfs/dbraw/zinc/14/80/69/513148069.db2.gz KVYJGIIYEVFOID-UHFFFAOYSA-N 1 0 369.425 2.716 20 5 FFBDRO CC[N@@H+]1CCC[C@@H](CN(C)c2ncc(C)cc2[N+](=O)[O-])[C@@H]1c1cnn(C)c1 ZINC000433783641 513150673 /nfs/dbraw/zinc/15/06/73/513150673.db2.gz QOBYRAXQBUMTLU-MAUKXSAKSA-N 1 0 372.473 2.941 20 5 FFBDRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000412567525 513167358 /nfs/dbraw/zinc/16/73/58/513167358.db2.gz ZFJYLGTYDCFMGW-UHFFFAOYSA-N 1 0 373.409 2.725 20 5 FFBDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000417711110 513176418 /nfs/dbraw/zinc/17/64/18/513176418.db2.gz DNYCHFHKJDRNEH-QGZVFWFLSA-N 1 0 350.463 2.932 20 5 FFBDRO CCC([NH3+])(CC)CNC(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000417723730 513180190 /nfs/dbraw/zinc/18/01/90/513180190.db2.gz XPFODACBXQTWPP-UHFFFAOYSA-N 1 0 351.451 2.522 20 5 FFBDRO O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000415430088 513256383 /nfs/dbraw/zinc/25/63/83/513256383.db2.gz BXKFBGBQKUDOSL-CQSZACIVSA-N 1 0 358.320 2.831 20 5 FFBDRO Cc1c(NC(=O)[C@H](C)N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000429041009 513266283 /nfs/dbraw/zinc/26/62/83/513266283.db2.gz NTDWPAFPWWLPCP-QMYADUOMSA-N 1 0 374.485 2.892 20 5 FFBDRO CC(C)[C@@H]([NH3+])CNC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000429152583 513292196 /nfs/dbraw/zinc/29/21/96/513292196.db2.gz XDBSQSAIGCVLOB-FMKPAKJESA-N 1 0 362.474 2.790 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@]3(CCCc4ccccc43)C2)c1 ZINC000440326304 513294184 /nfs/dbraw/zinc/29/41/84/513294184.db2.gz MGKIUGDNHLQJON-UYAOXDASSA-N 1 0 370.453 2.522 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000415501535 513296323 /nfs/dbraw/zinc/29/63/23/513296323.db2.gz MRWWFHLWOZRZSQ-XJKSGUPXSA-N 1 0 362.430 2.989 20 5 FFBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCCc2cc(C[NH3+])ccc21 ZINC000440416347 513316956 /nfs/dbraw/zinc/31/69/56/513316956.db2.gz VICAQCUBSZNBGD-UHFFFAOYSA-N 1 0 361.423 2.503 20 5 FFBDRO Cc1c(CNC(=O)NC[C@@H]2[NH2+]CCc3ccccc32)cccc1[N+](=O)[O-] ZINC000418056294 513356915 /nfs/dbraw/zinc/35/69/15/513356915.db2.gz CKGRZRZOABTNLX-KRWDZBQOSA-N 1 0 354.410 2.589 20 5 FFBDRO Cc1c(NC(=O)NCC2([NH3+])CCC2)cc(Br)cc1[N+](=O)[O-] ZINC000415656347 513365100 /nfs/dbraw/zinc/36/51/00/513365100.db2.gz LFYNJXBRKTVXMH-UHFFFAOYSA-N 1 0 357.208 2.669 20 5 FFBDRO C[NH2+]CC1CCN(C(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)CC1 ZINC000429437064 513375812 /nfs/dbraw/zinc/37/58/12/513375812.db2.gz MXXYNGGXOINKLV-HNNXBMFYSA-N 1 0 374.485 2.903 20 5 FFBDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000415692571 513383666 /nfs/dbraw/zinc/38/36/66/513383666.db2.gz HFXMFFRQFWQTHX-ZJUUUORDSA-N 1 0 371.235 2.948 20 5 FFBDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000415701724 513387970 /nfs/dbraw/zinc/38/79/70/513387970.db2.gz OLLAEMYJMLCPIO-SCZZXKLOSA-N 1 0 357.208 2.606 20 5 FFBDRO COC1([C@@H](C)[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000421844335 513451235 /nfs/dbraw/zinc/45/12/35/513451235.db2.gz TWAQVZRPOAPFPL-CQSZACIVSA-N 1 0 370.471 2.696 20 5 FFBDRO C[N@@H+]1CCCC[C@@H]1CN1CCN(c2ccc([N+](=O)[O-])c3ncccc23)CC1 ZINC000413137887 513474053 /nfs/dbraw/zinc/47/40/53/513474053.db2.gz OZPMTUCDARHUBI-MRXNPFEDSA-N 1 0 369.469 2.749 20 5 FFBDRO C[NH2+]Cc1cccc(NC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000415925526 513483007 /nfs/dbraw/zinc/48/30/07/513483007.db2.gz AYCNZTFVCOLINC-UHFFFAOYSA-N 1 0 369.425 2.668 20 5 FFBDRO C[NH2+]Cc1cccc(NC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000415930683 513484784 /nfs/dbraw/zinc/48/47/84/513484784.db2.gz KTYQPOADUXYTKC-UHFFFAOYSA-N 1 0 369.425 2.668 20 5 FFBDRO CCc1nn(C)c(CC)c1C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447587708 513515892 /nfs/dbraw/zinc/51/58/92/513515892.db2.gz RXXWRDAUWAQTDH-RDJZCZTQSA-N 1 0 360.462 2.923 20 5 FFBDRO CCCc1[nH]nc(C(=O)Nc2cccc3c2OCC[C@H]3[NH+](C)C)c1[N+](=O)[O-] ZINC000447730024 513554818 /nfs/dbraw/zinc/55/48/18/513554818.db2.gz PCBVFEZVEJCLLN-CQSZACIVSA-N 1 0 373.413 2.908 20 5 FFBDRO C[C@@H](Nc1cc(CN2CCOCC2)ccc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000447813299 513577806 /nfs/dbraw/zinc/57/78/06/513577806.db2.gz VGHQLWNZZOHFTI-OAHLLOKOSA-N 1 0 364.490 2.815 20 5 FFBDRO CCn1ccnc1CN(Cc1cccc([N+](=O)[O-])c1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435428138 513581407 /nfs/dbraw/zinc/58/14/07/513581407.db2.gz QQUOKMTYFMUUAI-GOSISDBHSA-N 1 0 369.469 2.956 20 5 FFBDRO COc1ccc(NC(=O)CC[N@@H+]2CCO[C@H](C(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000447828089 513586839 /nfs/dbraw/zinc/58/68/39/513586839.db2.gz DIZUQTZHEPBLQK-INIZCTEOSA-N 1 0 365.430 2.679 20 5 FFBDRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000418644847 513589891 /nfs/dbraw/zinc/58/98/91/513589891.db2.gz CQWUZMAGSSHZGC-IBGZPJMESA-N 1 0 368.437 2.925 20 5 FFBDRO CC[NH+](CC)CCO[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430234640 513595685 /nfs/dbraw/zinc/59/56/85/513595685.db2.gz BEZOLUUUGOOFKD-QGZVFWFLSA-N 1 0 351.447 2.536 20 5 FFBDRO O=C(CC[N@@H+]1CCc2ccccc2C1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000416186864 513632677 /nfs/dbraw/zinc/63/26/77/513632677.db2.gz CKRIHWWIOLAATF-UHFFFAOYSA-N 1 0 365.433 2.928 20 5 FFBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000451295871 513659690 /nfs/dbraw/zinc/65/96/90/513659690.db2.gz NVVCKUUEWAAYRI-KRWDZBQOSA-N 1 0 361.442 2.794 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000451344440 513690614 /nfs/dbraw/zinc/69/06/14/513690614.db2.gz PQQCJBRYMRLTFB-ZMSDIMECSA-N 1 0 361.442 2.857 20 5 FFBDRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNc1ccc([N+](=O)[O-])nc1 ZINC000413542715 513706674 /nfs/dbraw/zinc/70/66/74/513706674.db2.gz XEPRKGYGEXKRCX-SJLPKXTDSA-N 1 0 356.426 2.939 20 5 FFBDRO COc1cc(CN2CCCC[C@@H]2[C@@H](C)[NH3+])c([N+](=O)[O-])cc1OC(F)F ZINC000430636417 513708407 /nfs/dbraw/zinc/70/84/07/513708407.db2.gz YOPPWLCDQCRABN-ZYHUDNBSSA-N 1 0 359.373 2.907 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000451414734 513734016 /nfs/dbraw/zinc/73/40/16/513734016.db2.gz IVTUBVANNDYIPN-KBAYOESNSA-N 1 0 361.442 2.857 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000442601596 513743536 /nfs/dbraw/zinc/74/35/36/513743536.db2.gz TXZPXGWJCFHPJX-NWDGAFQWSA-N 1 0 355.822 2.603 20 5 FFBDRO CC1(C)[C@H]([NH2+]Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@H]2CCCO[C@H]21 ZINC000451479805 513776543 /nfs/dbraw/zinc/77/65/43/513776543.db2.gz NGGOVBYMURSVJZ-FVQBIDKESA-N 1 0 358.398 2.938 20 5 FFBDRO CO[C@@]1(C)C[C@@H]([NH2+]CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1(C)C ZINC000451488296 513782398 /nfs/dbraw/zinc/78/23/98/513782398.db2.gz MJMOPRDVGQXWFM-QAPCUYQASA-N 1 0 363.414 2.686 20 5 FFBDRO C[NH+](C)Cc1ccc(CNC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000448594312 513799207 /nfs/dbraw/zinc/79/92/07/513799207.db2.gz LIMQOLYJFNZBOT-UHFFFAOYSA-N 1 0 369.421 2.936 20 5 FFBDRO CC(C)O[C@@H]1C[C@@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000451511926 513800417 /nfs/dbraw/zinc/80/04/17/513800417.db2.gz ZUTNRZWVWBIYKO-USXIJHARSA-N 1 0 352.431 2.516 20 5 FFBDRO CCO[C@@H]1CC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C[C@H]1C ZINC000451522736 513806225 /nfs/dbraw/zinc/80/62/25/513806225.db2.gz BRHLXPCNNKXSNP-CZUORRHYSA-N 1 0 363.414 2.640 20 5 FFBDRO C[C@@H]1C[N@@H+](CCCNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])C[C@H](C)O1 ZINC000436261022 513809235 /nfs/dbraw/zinc/80/92/35/513809235.db2.gz AOVKAFNCMJQEES-PHIMTYICSA-N 1 0 362.352 2.920 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](CC3CCS(=O)(=O)CC3)C2)cc1 ZINC000451546313 513822880 /nfs/dbraw/zinc/82/28/80/513822880.db2.gz IQDXEMQRDLHFRW-MRXNPFEDSA-N 1 0 352.456 2.599 20 5 FFBDRO C[N@H+](CCNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)C1CC1 ZINC000436311892 513824134 /nfs/dbraw/zinc/82/41/34/513824134.db2.gz YHKBXGRDDOSLIO-UHFFFAOYSA-N 1 0 353.397 2.644 20 5 FFBDRO Cc1c(NC(=O)CCN2CC[NH2+]CC23CCCCC3)cccc1[N+](=O)[O-] ZINC000431100939 513826712 /nfs/dbraw/zinc/82/67/12/513826712.db2.gz WVGSJJWSLWBVKX-UHFFFAOYSA-N 1 0 360.458 2.840 20 5 FFBDRO O=C(C[NH2+][C@H]([C@H](CO)C1CC1)C1CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000451606912 513862544 /nfs/dbraw/zinc/86/25/44/513862544.db2.gz MGNYHAOOOVKLEX-DYVFJYSZSA-N 1 0 367.833 2.573 20 5 FFBDRO C[C@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000422749695 513921335 /nfs/dbraw/zinc/92/13/35/513921335.db2.gz AMXSEXFNAOWNHY-WDEREUQCSA-N 1 0 357.863 2.845 20 5 FFBDRO [NH3+]C1CCC(NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)CC1 ZINC000422757311 513923555 /nfs/dbraw/zinc/92/35/55/513923555.db2.gz HVBWVMZAPZVTMU-UHFFFAOYSA-N 1 0 353.397 2.820 20 5 FFBDRO CC(C)(CC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)S(C)(=O)=O ZINC000414269978 514028208 /nfs/dbraw/zinc/02/82/08/514028208.db2.gz VHBOEGPSHLFZAI-OAHLLOKOSA-N 1 0 354.472 2.719 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@]2(CCSC2)C1 ZINC000451964048 514098456 /nfs/dbraw/zinc/09/84/56/514098456.db2.gz INIZLDDUQJSHHO-YOEHRIQHSA-N 1 0 352.456 2.554 20 5 FFBDRO CC(C)[C@H]([NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])c1nc(-c2nc[nH]n2)no1 ZINC000449197263 514108621 /nfs/dbraw/zinc/10/86/21/514108621.db2.gz YNWOLZQHJBXJNN-RISCZKNCSA-N 1 0 371.401 2.681 20 5 FFBDRO O=C(CNc1c(Cl)cccc1[N+](=O)[O-])NCC[NH+]1CCCCCC1 ZINC000432170154 514115415 /nfs/dbraw/zinc/11/54/15/514115415.db2.gz PYOXUBNGLPVDGZ-UHFFFAOYSA-N 1 0 354.838 2.652 20 5 FFBDRO COC(=O)[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)C[C@@H]1c1ccccc1 ZINC000451995125 514120428 /nfs/dbraw/zinc/12/04/28/514120428.db2.gz MYZKLHVLLYCHNQ-QZTJIDSGSA-N 1 0 370.405 2.992 20 5 FFBDRO C[C@H]1CN(C(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C[C@H]1[NH+](C)C ZINC000444156603 514139283 /nfs/dbraw/zinc/13/92/83/514139283.db2.gz DFUFSVFWDLXSCZ-YVEFUNNKSA-N 1 0 367.424 2.843 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCN1CCc2ccccc2C1=O ZINC000449268679 514139253 /nfs/dbraw/zinc/13/92/53/514139253.db2.gz IMMQFUBOCXTAAP-HNNXBMFYSA-N 1 0 353.422 2.814 20 5 FFBDRO CN(c1ccccc1)c1ccc(C[NH2+]C[C@@H]2CNC(=O)C2)cc1[N+](=O)[O-] ZINC000414479056 514144173 /nfs/dbraw/zinc/14/41/73/514144173.db2.gz GXPINGUCKKBTLF-OAHLLOKOSA-N 1 0 354.410 2.588 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cc(S(C)(=O)=O)ccc1F ZINC000449305954 514156919 /nfs/dbraw/zinc/15/69/19/514156919.db2.gz IXMXZENPBKFAIB-GFCCVEGCSA-N 1 0 366.414 2.858 20 5 FFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@H]2CCCN2CCCO)o1 ZINC000449384824 514189674 /nfs/dbraw/zinc/18/96/74/514189674.db2.gz CTVVXXLAWMMDQJ-OAHLLOKOSA-N 1 0 359.426 2.791 20 5 FFBDRO COc1cc(C[NH2+][C@@H]2CCC[C@H](CO)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000414578600 514190683 /nfs/dbraw/zinc/19/06/83/514190683.db2.gz PPXQEUSDYVIMTL-WCQYABFASA-N 1 0 374.384 2.888 20 5 FFBDRO CC[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C12CC3CC(CC(C3)C1)C2 ZINC000437645544 514200797 /nfs/dbraw/zinc/20/07/97/514200797.db2.gz JXPAICYILRDLLV-QMTUAOIMSA-N 1 0 362.474 2.737 20 5 FFBDRO C[C@H](CCC[NH3+])NC(=O)c1cc(F)cc2c1[nH]c1c(F)cccc1c2=O ZINC000423692971 514202287 /nfs/dbraw/zinc/20/22/87/514202287.db2.gz QXUSHSONCRWQOV-SNVBAGLBSA-N 1 0 359.376 2.817 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N(CC[NH+](C)C)Cc1ccc(C)o1 ZINC000427396057 514202577 /nfs/dbraw/zinc/20/25/77/514202577.db2.gz BTNXZMWDLPKATJ-UHFFFAOYSA-N 1 0 361.398 2.709 20 5 FFBDRO CN(C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H]1C[NH+]2CCC1CC2 ZINC000437657019 514203520 /nfs/dbraw/zinc/20/35/20/514203520.db2.gz AKBDRTQFKVZMAP-AWEZNQCLSA-N 1 0 357.332 2.780 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N(CCC[NH3+])CC1CCCC1 ZINC000417181298 514215473 /nfs/dbraw/zinc/21/54/73/514215473.db2.gz NXJKZMAOXCGWQQ-UHFFFAOYSA-N 1 0 364.446 2.654 20 5 FFBDRO CCc1ccccc1[C@H]([NH3+])CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000414654410 514224131 /nfs/dbraw/zinc/22/41/31/514224131.db2.gz JIEZUKCQTXCVIS-OAHLLOKOSA-N 1 0 358.398 2.987 20 5 FFBDRO Cn1cc(C[N@@H+]2CC[C@@H]3C[C@@H](O)CC[C@@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000449558874 514255013 /nfs/dbraw/zinc/25/50/13/514255013.db2.gz XEJBXNAGRUUYSY-MDZRGWNJSA-N 1 0 370.453 2.978 20 5 FFBDRO CNC(=O)C[C@@H](C)[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000449599205 514267803 /nfs/dbraw/zinc/26/78/03/514267803.db2.gz FTWHISJTSJDPDC-CQSZACIVSA-N 1 0 356.426 2.977 20 5 FFBDRO CC[C@@H](C)[NH+]1CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000449624321 514271972 /nfs/dbraw/zinc/27/19/72/514271972.db2.gz NKMFHYIRNNUVLQ-OAHLLOKOSA-N 1 0 357.458 2.911 20 5 FFBDRO CCOc1cc(NC(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)c([N+](=O)[O-])cc1OCC ZINC000414752847 514273596 /nfs/dbraw/zinc/27/35/96/514273596.db2.gz CUJRORSDYJNCLB-WCQYABFASA-N 1 0 366.418 2.512 20 5 FFBDRO CCOc1cc(NC(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)c([N+](=O)[O-])cc1OCC ZINC000414753403 514275187 /nfs/dbraw/zinc/27/51/87/514275187.db2.gz DNEAEBIQSHXZKW-NWDGAFQWSA-N 1 0 366.418 2.593 20 5 FFBDRO CCOc1cc(NC(=O)N[C@H](C[NH3+])CC(C)C)c([N+](=O)[O-])cc1OCC ZINC000414760829 514278401 /nfs/dbraw/zinc/27/84/01/514278401.db2.gz ROXTTZMJHYJFRP-LBPRGKRZSA-N 1 0 368.434 2.887 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@H](C[NH3+])C2CCCC2)cc1SC ZINC000423937463 514296589 /nfs/dbraw/zinc/29/65/89/514296589.db2.gz FTAFLYWMSGSDBQ-GFCCVEGCSA-N 1 0 353.444 2.573 20 5 FFBDRO CCN(CCC[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21)S(C)(=O)=O ZINC000417337983 514301350 /nfs/dbraw/zinc/30/13/50/514301350.db2.gz JPSUPMHHONRLRT-KRWDZBQOSA-N 1 0 369.487 2.624 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N(C)[C@H](C[NH3+])C3CC3)cc2[N+](=O)[O-])C1 ZINC000423947675 514302430 /nfs/dbraw/zinc/30/24/30/514302430.db2.gz KBAFJEXVCHIOPW-FZKQIMNGSA-N 1 0 360.458 2.640 20 5 FFBDRO [NH3+]C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)C1CCCC1 ZINC000423961313 514309161 /nfs/dbraw/zinc/30/91/61/514309161.db2.gz OAFQZLQPCPJFJC-ZDUSSCGKSA-N 1 0 356.220 2.605 20 5 FFBDRO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000427799939 514317638 /nfs/dbraw/zinc/31/76/38/514317638.db2.gz RGLYJZIKZXTYEQ-OKILXGFUSA-N 1 0 363.483 2.977 20 5 FFBDRO C[C@@H]1CN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@]1(C)C[NH3+] ZINC000423988853 514325527 /nfs/dbraw/zinc/32/55/27/514325527.db2.gz YKUIISPNRNGDBX-PIGZYNQJSA-N 1 0 360.439 2.775 20 5 FFBDRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000424001173 514331431 /nfs/dbraw/zinc/33/14/31/514331431.db2.gz MYQMUMBTFBBILD-ZBFHGGJFSA-N 1 0 367.833 2.607 20 5 FFBDRO [NH3+][C@@H]1CCO[C@H](C2CCN(C(=O)c3c(Cl)cccc3[N+](=O)[O-])CC2)C1 ZINC000424003840 514332647 /nfs/dbraw/zinc/33/26/47/514332647.db2.gz AAJYMLVJQXBBKY-DOMZBBRYSA-N 1 0 367.833 2.607 20 5 FFBDRO [NH3+][C@H]1CCO[C@H](C2CCN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3)CC2)C1 ZINC000424010856 514338317 /nfs/dbraw/zinc/33/83/17/514338317.db2.gz LYFKRMHHAJSRAO-HOCLYGCPSA-N 1 0 367.833 2.607 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000444827315 514344227 /nfs/dbraw/zinc/34/42/27/514344227.db2.gz JPSIHLHPRDFROE-UHFFFAOYSA-N 1 0 368.865 2.911 20 5 FFBDRO C[C@H]1CCCN(c2ccc(C(=O)N3CCC4(CC[NH2+]4)CC3)cc2[N+](=O)[O-])C1 ZINC000424052860 514359458 /nfs/dbraw/zinc/35/94/58/514359458.db2.gz NPBWXQZIHXTRTF-HNNXBMFYSA-N 1 0 372.469 2.799 20 5 FFBDRO COC[C@]1(CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCC[NH2+]1 ZINC000414946227 514369534 /nfs/dbraw/zinc/36/95/34/514369534.db2.gz SCWNNXSTOCIBTL-QGZVFWFLSA-N 1 0 362.455 2.577 20 5 FFBDRO C[NH+](C)C1(CNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CCC1 ZINC000438507627 514392711 /nfs/dbraw/zinc/39/27/11/514392711.db2.gz ALFQAHKYULQXOX-UHFFFAOYSA-N 1 0 355.822 2.618 20 5 FFBDRO CC[NH+]1CCC(N2CCCN(Cc3c(F)cccc3[N+](=O)[O-])CC2)CC1 ZINC000420982042 514420564 /nfs/dbraw/zinc/42/05/64/514420564.db2.gz OKDMCDLRHUWICW-UHFFFAOYSA-N 1 0 364.465 2.726 20 5 FFBDRO CC[NH+]1CCC(N2CCCN(Cc3csc([N+](=O)[O-])c3)CC2)CC1 ZINC000420986769 514425611 /nfs/dbraw/zinc/42/56/11/514425611.db2.gz YWFMZECFVPZGRF-UHFFFAOYSA-N 1 0 352.504 2.648 20 5 FFBDRO COc1cc(CN(C)C[C@@H]2CCC[N@@H+]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000421006126 514434686 /nfs/dbraw/zinc/43/46/86/514434686.db2.gz PRPLULZHRYVACM-ZDUSSCGKSA-N 1 0 373.400 2.773 20 5 FFBDRO CC[N@@H+](Cc1ccc2ccccc2c1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000438834955 514451166 /nfs/dbraw/zinc/45/11/66/514451166.db2.gz LHNPKALKALQQMH-LJQANCHMSA-N 1 0 354.410 2.828 20 5 FFBDRO [NH3+]C1(c2noc(-c3ccn(-c4ccccc4[N+](=O)[O-])n3)n2)CCCCC1 ZINC000424347777 514460099 /nfs/dbraw/zinc/46/00/99/514460099.db2.gz SFYPBKGMRNOIEM-UHFFFAOYSA-N 1 0 354.370 2.949 20 5 FFBDRO NC(=O)c1cccc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1[N+](=O)[O-] ZINC000439171982 514504575 /nfs/dbraw/zinc/50/45/75/514504575.db2.gz WWICOOBQUCZQRB-HNNXBMFYSA-N 1 0 360.458 2.786 20 5 FFBDRO Cc1nc(Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)ncc1[N+](=O)[O-] ZINC000450275105 514576445 /nfs/dbraw/zinc/57/64/45/514576445.db2.gz LRFBARMCZSTTGL-UHFFFAOYSA-N 1 0 368.441 2.969 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)NCC[C@@H]2CCC[N@H+](C)C2)cc1SC ZINC000458157612 514589381 /nfs/dbraw/zinc/58/93/81/514589381.db2.gz CTJWHIUHRBTCMU-LBPRGKRZSA-N 1 0 367.471 2.787 20 5 FFBDRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C)C1 ZINC000507960010 514624235 /nfs/dbraw/zinc/62/42/35/514624235.db2.gz BGROCGXWJUYORY-AWEZNQCLSA-N 1 0 358.446 2.558 20 5 FFBDRO COCC[C@@H](CO)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000466471313 514656304 /nfs/dbraw/zinc/65/63/04/514656304.db2.gz BJLUVAMBROHVTR-NSHDSACASA-N 1 0 354.790 2.995 20 5 FFBDRO O=[N+]([O-])c1cccnc1N1CC[NH+](CCCCOc2ccccc2)CC1 ZINC000453578108 514697469 /nfs/dbraw/zinc/69/74/69/514697469.db2.gz QBYUCSZOXOAQAY-UHFFFAOYSA-N 1 0 356.426 2.971 20 5 FFBDRO CCOc1cc(N2CC[NH+](CC(C)(C)COC)CC2)ccc1[N+](=O)[O-] ZINC000475516897 514698731 /nfs/dbraw/zinc/69/87/31/514698731.db2.gz OPAPLYKMOITCBZ-UHFFFAOYSA-N 1 0 351.447 2.788 20 5 FFBDRO C[NH+](C)CCOc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1F ZINC000458325916 514710164 /nfs/dbraw/zinc/71/01/64/514710164.db2.gz UMQGUHBBUGHPSX-UHFFFAOYSA-N 1 0 361.373 2.856 20 5 FFBDRO COc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])n2C)[NH+]2CCCC2)cc1 ZINC000497986731 514716427 /nfs/dbraw/zinc/71/64/27/514716427.db2.gz PWENKOTZJUYRSQ-KRWDZBQOSA-N 1 0 372.425 2.509 20 5 FFBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000461796534 514745658 /nfs/dbraw/zinc/74/56/58/514745658.db2.gz OZTYXEAJYXSPGO-AWEZNQCLSA-N 1 0 364.446 2.619 20 5 FFBDRO C[NH+](C)CCN(C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)C1CCCC1 ZINC000502802914 514784159 /nfs/dbraw/zinc/78/41/59/514784159.db2.gz QUBJGRAPDGNIRA-UHFFFAOYSA-N 1 0 358.442 2.882 20 5 FFBDRO Cc1cc(N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461946062 514800257 /nfs/dbraw/zinc/80/02/57/514800257.db2.gz LZVZZOHEKYBJTQ-NWDGAFQWSA-N 1 0 361.364 2.813 20 5 FFBDRO CNC(=O)c1ccc(NCC[N@H+](C)Cc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000484833149 514810643 /nfs/dbraw/zinc/81/06/43/514810643.db2.gz VVJFVJDFALRSLK-UHFFFAOYSA-N 1 0 360.389 2.637 20 5 FFBDRO CC(C)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CC[N@@H+]1C ZINC000489360379 514816086 /nfs/dbraw/zinc/81/60/86/514816086.db2.gz YHMBILSPDVLMHA-CYBMUJFWSA-N 1 0 357.357 2.608 20 5 FFBDRO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000471281329 514824475 /nfs/dbraw/zinc/82/44/75/514824475.db2.gz CWNNANFVGSDXCV-OAHLLOKOSA-N 1 0 357.385 2.986 20 5 FFBDRO COc1c(C(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000475900151 514847602 /nfs/dbraw/zinc/84/76/02/514847602.db2.gz OYVCYQJTCYXUMI-AWEZNQCLSA-N 1 0 357.410 2.854 20 5 FFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NCC1(SC)CC[NH+](C)CC1 ZINC000484964346 514857990 /nfs/dbraw/zinc/85/79/90/514857990.db2.gz VRXCETAWTGNTSF-UHFFFAOYSA-N 1 0 367.471 2.551 20 5 FFBDRO Cc1cc(F)cc2c1C[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)CC2 ZINC000502969298 514864013 /nfs/dbraw/zinc/86/40/13/514864013.db2.gz KVCDZLJCCXJGJD-KRWDZBQOSA-N 1 0 360.385 2.840 20 5 FFBDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000498366599 514883238 /nfs/dbraw/zinc/88/32/38/514883238.db2.gz XZLHYDSQVCPGMJ-CABCVRRESA-N 1 0 360.439 2.723 20 5 FFBDRO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000467217806 514943224 /nfs/dbraw/zinc/94/32/24/514943224.db2.gz OOCBKCMOQGXVQZ-CHWSQXEVSA-N 1 0 352.822 2.674 20 5 FFBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000467222031 514944284 /nfs/dbraw/zinc/94/42/84/514944284.db2.gz GMIDNMPSLNUMNG-VXGBXAGGSA-N 1 0 354.838 2.872 20 5 FFBDRO COc1c(C(=O)N(CC[NH+](C)C)Cc2cccs2)cccc1[N+](=O)[O-] ZINC000476274194 514979244 /nfs/dbraw/zinc/97/92/44/514979244.db2.gz RHBHZPQUFHGKOH-UHFFFAOYSA-N 1 0 363.439 2.869 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000509023706 514993069 /nfs/dbraw/zinc/99/30/69/514993069.db2.gz XTDOKKOXQHJMOT-ZTFRIQLXSA-N 1 0 355.385 2.557 20 5 FFBDRO COc1c(C(=O)N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000476310138 514993923 /nfs/dbraw/zinc/99/39/23/514993923.db2.gz UKMBMLZRWHSLAG-HOCLYGCPSA-N 1 0 369.421 2.996 20 5 FFBDRO O=[N+]([O-])c1cccc2ncnc(NC[C@@H](c3ccco3)[NH+]3CCCC3)c21 ZINC000509056484 515004038 /nfs/dbraw/zinc/00/40/38/515004038.db2.gz JRNKTXOZCMAXIH-HNNXBMFYSA-N 1 0 353.382 2.802 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[N@H+](C)CC[C@@H]1C ZINC000498711319 515036181 /nfs/dbraw/zinc/03/61/81/515036181.db2.gz SYBGJLSVFUIZMJ-RYUDHWBXSA-N 1 0 355.822 2.568 20 5 FFBDRO CCOC(=O)[C@@]1(COC)CCC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000467552534 515044375 /nfs/dbraw/zinc/04/43/75/515044375.db2.gz XIGFDYLJVCRVGS-SFHVURJKSA-N 1 0 350.415 2.695 20 5 FFBDRO CN(CCC[NH+]1CCCC1)C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000467665559 515072776 /nfs/dbraw/zinc/07/27/76/515072776.db2.gz BLJDWXQUNKRYLO-UHFFFAOYSA-N 1 0 371.441 2.553 20 5 FFBDRO C[C@H](CNc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1)[N@H+](C)C1CC1 ZINC000462482892 515077715 /nfs/dbraw/zinc/07/77/15/515077715.db2.gz BWYSSSZXBBWLEV-CQSZACIVSA-N 1 0 356.426 2.885 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000499141078 515216906 /nfs/dbraw/zinc/21/69/06/515216906.db2.gz HIVCZVRHFHIIOC-KRWDZBQOSA-N 1 0 357.410 2.945 20 5 FFBDRO CC[C@H](C)[NH+]1CCN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CC1 ZINC000456532897 515239857 /nfs/dbraw/zinc/23/98/57/515239857.db2.gz QCABYACWMWKTFI-NSHDSACASA-N 1 0 357.357 2.753 20 5 FFBDRO CS[C@@H]1CN(Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@H]1[NH+]1CCCC1 ZINC000509622073 515261986 /nfs/dbraw/zinc/26/19/86/515261986.db2.gz BFIIWQYJFAVELL-HZPDHXFCSA-N 1 0 357.426 2.885 20 5 FFBDRO O=C(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000462885335 515282474 /nfs/dbraw/zinc/28/24/74/515282474.db2.gz SVQPWMQUVLTWKD-QWHCGFSZSA-N 1 0 357.332 2.732 20 5 FFBDRO O=C(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000462887030 515284156 /nfs/dbraw/zinc/28/41/56/515284156.db2.gz JVKMQQOTMYBXAP-LSDHHAIUSA-N 1 0 372.450 2.836 20 5 FFBDRO COc1ccc(OCCN2CC[C@@H](C[N@H+](C)CC3CC3)C2)c([N+](=O)[O-])c1 ZINC000472488141 515289426 /nfs/dbraw/zinc/28/94/26/515289426.db2.gz WPIPMWNMYMCHDW-INIZCTEOSA-N 1 0 363.458 2.646 20 5 FFBDRO CNc1c(C(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000462927944 515303788 /nfs/dbraw/zinc/30/37/88/515303788.db2.gz UNSVPPZRCRUFLL-QGZVFWFLSA-N 1 0 356.426 2.978 20 5 FFBDRO O=[N+]([O-])c1ccc(C[N@H+](CCc2nnnn2-c2ccccc2)C2CC2)cc1 ZINC000490804795 515308094 /nfs/dbraw/zinc/30/80/94/515308094.db2.gz VHTZBUUFOFMVBX-UHFFFAOYSA-N 1 0 364.409 2.778 20 5 FFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCc2cn3ccccc3n2)n1 ZINC000472604619 515334304 /nfs/dbraw/zinc/33/43/04/515334304.db2.gz WEQGFHYQUJTJLB-HOTGVXAUSA-N 1 0 354.414 2.755 20 5 FFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@]1(CCO)CCOC1 ZINC000504893651 515403462 /nfs/dbraw/zinc/40/34/62/515403462.db2.gz HLAPEIXFOWFOFT-WMLDXEAASA-N 1 0 354.472 2.844 20 5 FFBDRO CCC(CC)(CNC(=O)c1cc([N+](=O)[O-])nn1C)[NH2+][C@@H](C)c1ccccc1 ZINC000481894892 515502734 /nfs/dbraw/zinc/50/27/34/515502734.db2.gz PTCANKPQSCYYQE-AWEZNQCLSA-N 1 0 373.457 2.968 20 5 FFBDRO O=C(CN[C@H](CO)c1cccc(Cl)c1F)Nc1ccccc1[N+](=O)[O-] ZINC000499963966 515539417 /nfs/dbraw/zinc/53/94/17/515539417.db2.gz KYCWPXYAMHPTPZ-CYBMUJFWSA-N 1 0 367.764 2.649 20 5 FFBDRO CCOc1cc(C[N@@H+]2CCC[C@H](C(=O)NCC3CC3)C2)ccc1[N+](=O)[O-] ZINC000492565954 515545521 /nfs/dbraw/zinc/54/55/21/515545521.db2.gz XZEQYQMWRNMFOJ-INIZCTEOSA-N 1 0 361.442 2.732 20 5 FFBDRO CCOc1cc(C[NH+]2CCC(O[C@@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000492632021 515551497 /nfs/dbraw/zinc/55/14/97/515551497.db2.gz REIDTBKNUTXCHY-MRXNPFEDSA-N 1 0 350.415 2.763 20 5 FFBDRO CCCN(CC[NH+]1CCCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000510537982 515575603 /nfs/dbraw/zinc/57/56/03/515575603.db2.gz KKQPNSRLCDWYIJ-UHFFFAOYSA-N 1 0 369.487 2.790 20 5 FFBDRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1N)[NH+](C)C ZINC000510551401 515583910 /nfs/dbraw/zinc/58/39/10/515583910.db2.gz UFQSAZAHUYMYGQ-ACJLOTCBSA-N 1 0 356.426 2.907 20 5 FFBDRO O=[N+]([O-])c1cccnc1N1CC[NH+](CCCOCCc2ccccc2)CC1 ZINC000459490259 515592507 /nfs/dbraw/zinc/59/25/07/515592507.db2.gz BMNFYPPAFMVAMA-UHFFFAOYSA-N 1 0 370.453 2.761 20 5 FFBDRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000454612312 515609847 /nfs/dbraw/zinc/60/98/47/515609847.db2.gz SBFFSROQUSZAHV-NVXWUHKLSA-N 1 0 372.469 2.968 20 5 FFBDRO COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000493443512 515633781 /nfs/dbraw/zinc/63/37/81/515633781.db2.gz SONUSNUPBNTFTP-STQMWFEESA-N 1 0 369.849 2.611 20 5 FFBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)cc1OC ZINC000457126158 515671753 /nfs/dbraw/zinc/67/17/53/515671753.db2.gz QWVMSBPRLXUMKT-ZDUSSCGKSA-N 1 0 365.430 2.557 20 5 FFBDRO Cc1cc(C)c(S(=O)(=O)NCC[C@H](C)[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000493887029 515676464 /nfs/dbraw/zinc/67/64/64/515676464.db2.gz AFAGRCOJFMHKBN-HNNXBMFYSA-N 1 0 369.487 2.754 20 5 FFBDRO C[N@H+](CCCCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1)C1CC1 ZINC000457176776 515706998 /nfs/dbraw/zinc/70/69/98/515706998.db2.gz ZMASCUSIUWTRJT-UHFFFAOYSA-N 1 0 370.247 2.962 20 5 FFBDRO CC(C)(C)C1=CC[N@H+](CCNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000505883475 515709785 /nfs/dbraw/zinc/70/97/85/515709785.db2.gz BFEYTXPFHDOBOS-UHFFFAOYSA-N 1 0 371.441 2.879 20 5 FFBDRO C[C@@H]1[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1Cc1ccccc1 ZINC000494070185 515726923 /nfs/dbraw/zinc/72/69/23/515726923.db2.gz VOEDGIWECGYNNV-BEFAXECRSA-N 1 0 353.422 2.917 20 5 FFBDRO C[N@@H+](Cc1cccc2[nH]ccc21)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000494110027 515736893 /nfs/dbraw/zinc/73/68/93/515736893.db2.gz YFKVCCIPFNHOSM-OAHLLOKOSA-N 1 0 355.394 2.948 20 5 FFBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC(C)(C)C[NH+](C)C ZINC000457230993 515741119 /nfs/dbraw/zinc/74/11/19/515741119.db2.gz FZRSTHWNCIJXFN-UHFFFAOYSA-N 1 0 358.236 2.736 20 5 FFBDRO C[NH+](C)C[C@H](NC(=O)NCCc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000500560504 515769638 /nfs/dbraw/zinc/76/96/38/515769638.db2.gz HOSXNRNOCWNIGT-SFHVURJKSA-N 1 0 374.416 2.879 20 5 FFBDRO C[N@H+](Cc1ccccc1)C1CN(C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000500571811 515775287 /nfs/dbraw/zinc/77/52/87/515775287.db2.gz SXQRWWWCLTVITI-UHFFFAOYSA-N 1 0 368.437 2.663 20 5 FFBDRO Cn1ccnc1[C@H](NCC[C@H]1CCC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000459734831 515778083 /nfs/dbraw/zinc/77/80/83/515778083.db2.gz OPIITLSDFBKUCH-CRAIPNDOSA-N 1 0 357.458 2.739 20 5 FFBDRO CC(C)c1ccc(C(=O)NC[C@]2([NH+](C)C)CCSC2)cc1[N+](=O)[O-] ZINC000473857880 515779089 /nfs/dbraw/zinc/77/90/89/515779089.db2.gz IDJWYOMGAJKRAE-QGZVFWFLSA-N 1 0 351.472 2.885 20 5 FFBDRO C[C@@H]1CN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C[C@H](C)[N@H+]1C ZINC000454902132 515821482 /nfs/dbraw/zinc/82/14/82/515821482.db2.gz YVHTZTMQEWOEKQ-PHIMTYICSA-N 1 0 374.363 2.848 20 5 FFBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)C[C@H](C)C(=O)OC(C)(C)C ZINC000459818740 515827090 /nfs/dbraw/zinc/82/70/90/515827090.db2.gz YNLACTPQWUMUCG-QWHCGFSZSA-N 1 0 365.430 2.831 20 5 FFBDRO COC(C)(C)CC[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000469766356 515955574 /nfs/dbraw/zinc/95/55/74/515955574.db2.gz BTPUMZFBSVYPJM-UHFFFAOYSA-N 1 0 361.446 2.798 20 5 FFBDRO CCOc1ccc(NC(=O)C[NH2+]C2(CCO)CCCCC2)c([N+](=O)[O-])c1 ZINC000474275453 515966510 /nfs/dbraw/zinc/96/65/10/515966510.db2.gz MAHLUEPVSUDJJS-UHFFFAOYSA-N 1 0 365.430 2.607 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+][C@H]2CCc3c2cccc3O)cc1[N+](=O)[O-] ZINC000474349643 516004486 /nfs/dbraw/zinc/00/44/86/516004486.db2.gz XJWHWWLYRVPMDW-HNNXBMFYSA-N 1 0 372.377 2.629 20 5 FFBDRO COC(=O)[C@H]1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H]1C ZINC000469997508 516067661 /nfs/dbraw/zinc/06/76/61/516067661.db2.gz ZYKKEKUDSOQWOE-DOMZBBRYSA-N 1 0 359.382 2.676 20 5 FFBDRO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000470156395 516150870 /nfs/dbraw/zinc/15/08/70/516150870.db2.gz OCHBPYOYMJQIIJ-XCRHUMRWSA-N 1 0 355.394 2.941 20 5 FFBDRO Cc1c(CNC(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000479325371 516150879 /nfs/dbraw/zinc/15/08/79/516150879.db2.gz SQTHZVHFRLBKDS-KRWDZBQOSA-N 1 0 360.458 2.967 20 5 FFBDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1ccc([N+](=O)[O-])c(NC)n1 ZINC000455372005 516157492 /nfs/dbraw/zinc/15/74/92/516157492.db2.gz PKAOJMPIBLZLJF-UHFFFAOYSA-N 1 0 371.441 2.755 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000512118136 516160043 /nfs/dbraw/zinc/16/00/43/516160043.db2.gz GNSNPHMBQWVICG-RYUDHWBXSA-N 1 0 367.833 2.782 20 5 FFBDRO CCC[C@@H]1CN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC[N@@H+]1CCOC ZINC000501605859 516168883 /nfs/dbraw/zinc/16/88/83/516168883.db2.gz WHIQCRWGLNZPDC-CQSZACIVSA-N 1 0 374.441 2.649 20 5 FFBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000512145601 516173041 /nfs/dbraw/zinc/17/30/41/516173041.db2.gz CWBIPWJEJFECSG-UHFFFAOYSA-N 1 0 370.453 2.911 20 5 FFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]([NH+](C)C)[C@@H](SC)C1 ZINC000495580634 516190437 /nfs/dbraw/zinc/19/04/37/516190437.db2.gz LSMUSAXHJWCYRM-HIFRSBDPSA-N 1 0 369.512 2.824 20 5 FFBDRO COC(=O)c1cc(N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)cc(C)c1[N+](=O)[O-] ZINC000488748788 516300297 /nfs/dbraw/zinc/30/02/97/516300297.db2.gz HORQCXVJBQHLFO-PBFPGSCMSA-N 1 0 361.442 2.856 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000512574597 516307576 /nfs/dbraw/zinc/30/75/76/516307576.db2.gz ZAEZSDLATSHWLK-UHFFFAOYSA-N 1 0 369.487 2.836 20 5 FFBDRO CN(CC[N@H+](C)C1CCCCC1)c1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000497536684 516325676 /nfs/dbraw/zinc/32/56/76/516325676.db2.gz XLKPVBAAYNWBOW-UHFFFAOYSA-N 1 0 369.487 2.699 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000557628677 516345731 /nfs/dbraw/zinc/34/57/31/516345731.db2.gz LTJOOEAHGKRWOL-HNNXBMFYSA-N 1 0 361.442 2.858 20 5 FFBDRO CC[C@H]1CN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)C[C@@H](C)S1(=O)=O ZINC000557751243 516420211 /nfs/dbraw/zinc/42/02/11/516420211.db2.gz QURJNVNDZGXWRU-OCCSQVGLSA-N 1 0 363.439 2.853 20 5 FFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](N1CCOCC1)C(F)(F)F ZINC000512972590 516429995 /nfs/dbraw/zinc/42/99/95/516429995.db2.gz UYXRNUPBQJCTHF-RCBBPTIPSA-N 1 0 373.375 2.851 20 5 FFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC1(S(C)(=O)=O)CCCC1 ZINC000513007537 516439106 /nfs/dbraw/zinc/43/91/06/516439106.db2.gz RCBCIIZHPOGARS-UVTDQMKNSA-N 1 0 352.456 2.945 20 5 FFBDRO CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2)s1 ZINC000513074480 516462373 /nfs/dbraw/zinc/46/23/73/516462373.db2.gz HHIDDVNAGSHFIV-MNOVXSKESA-N 1 0 363.443 2.762 20 5 FFBDRO COc1ccc(C[C@@](C)([NH3+])CNc2ncnc3sc([N+](=O)[O-])cc32)cc1 ZINC000561276227 516494285 /nfs/dbraw/zinc/49/42/85/516494285.db2.gz SCYSOLDKZSOHQL-QGZVFWFLSA-N 1 0 373.438 2.980 20 5 FFBDRO COc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc3n[nH]cc3c2)c([N+](=O)[O-])c1 ZINC000513210474 516524003 /nfs/dbraw/zinc/52/40/03/516524003.db2.gz QAXXTKQXJFQGLJ-NSHDSACASA-N 1 0 369.381 2.769 20 5 FFBDRO O=C(CC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)N1CCc2ccccc2C1 ZINC000547742957 516534559 /nfs/dbraw/zinc/53/45/59/516534559.db2.gz UJKYCHNSUSMCHJ-UHFFFAOYSA-N 1 0 365.433 2.928 20 5 FFBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C[C@@H](C)C1 ZINC000558022813 516555024 /nfs/dbraw/zinc/55/50/24/516555024.db2.gz JOASVHSDNGZAEJ-VEVIJQCQSA-N 1 0 356.426 2.878 20 5 FFBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000558025805 516555095 /nfs/dbraw/zinc/55/50/95/516555095.db2.gz PJABPCLXYPXXEH-YQQAZPJKSA-N 1 0 361.442 2.552 20 5 FFBDRO C[C@H](NC(=O)N1CCc2ccccc2[C@H]1C[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000518180610 516568637 /nfs/dbraw/zinc/56/86/37/516568637.db2.gz XNNRAECLKNDSLB-SCLBCKFNSA-N 1 0 354.410 2.924 20 5 FFBDRO COCC[C@](C)(O)C[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000523840183 516591013 /nfs/dbraw/zinc/59/10/13/516591013.db2.gz XNHORFWVUFAMLG-SFHVURJKSA-N 1 0 364.398 2.741 20 5 FFBDRO C[C@H]1C[C@H](NC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)C[N@@H+]1C1CC1 ZINC000554699308 516593220 /nfs/dbraw/zinc/59/32/20/516593220.db2.gz BWJWVVBPLNDRLV-JSGCOSHPSA-N 1 0 371.441 2.543 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000531695101 516600258 /nfs/dbraw/zinc/60/02/58/516600258.db2.gz BDVYUQFWSGMKMT-DZGCQCFKSA-N 1 0 374.393 2.722 20 5 FFBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@H](c2nccn2C)C1 ZINC000536068649 516618409 /nfs/dbraw/zinc/61/84/09/516618409.db2.gz JUBXDXLFSWZBIR-OCCSQVGLSA-N 1 0 368.397 2.929 20 5 FFBDRO C[NH2+]C[C@H]1CCCN(C(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC000558156099 516621122 /nfs/dbraw/zinc/62/11/22/516621122.db2.gz YCAJDJIWVUAGNR-JKSUJKDBSA-N 1 0 374.485 2.903 20 5 FFBDRO Cn1cc(C[NH2+]C[C@@H](CO)Cc2ccco2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000540619957 516643532 /nfs/dbraw/zinc/64/35/32/516643532.db2.gz WCNVEBXFVOBUCZ-AWEZNQCLSA-N 1 0 370.409 2.529 20 5 FFBDRO C[C@H]1CN(C2CC2)C[C@H]1[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000540625407 516645222 /nfs/dbraw/zinc/64/52/22/516645222.db2.gz FDZXUHYMWHJCHS-SCLBCKFNSA-N 1 0 355.442 2.568 20 5 FFBDRO CSc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])cn2C)[NH+](C)C)cc1 ZINC000561727442 516734661 /nfs/dbraw/zinc/73/46/61/516734661.db2.gz XMNKLXLZHFWKHG-INIZCTEOSA-N 1 0 362.455 2.688 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C[C@H]1C ZINC000524879798 516857100 /nfs/dbraw/zinc/85/71/00/516857100.db2.gz UGVOEKONXGITFT-GDBMZVCRSA-N 1 0 371.441 2.725 20 5 FFBDRO CC[NH+](CC)CCOc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532387929 516947005 /nfs/dbraw/zinc/94/70/05/516947005.db2.gz QDQKOYZSFHDWNQ-UHFFFAOYSA-N 1 0 358.398 2.963 20 5 FFBDRO CC[N@H+](CCC1CCN(C(=O)c2c([N+](=O)[O-])cnn2C)CC1)CC(C)C ZINC000536921822 516981304 /nfs/dbraw/zinc/98/13/04/516981304.db2.gz UTJBVFSMIGXJOZ-UHFFFAOYSA-N 1 0 365.478 2.549 20 5 FFBDRO COc1ccc(C2([NH2+]C[C@@H](O)COc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000541326171 516992442 /nfs/dbraw/zinc/99/24/42/516992442.db2.gz RNIBDDFFDWKNFY-OAHLLOKOSA-N 1 0 358.394 2.622 20 5 FFBDRO CC[C@H](CO)[NH+]1CCN(c2cc(C)c(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000558922293 517003590 /nfs/dbraw/zinc/00/35/90/517003590.db2.gz ORBLLVQBMINDAY-GFCCVEGCSA-N 1 0 361.364 2.815 20 5 FFBDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000525355611 517016179 /nfs/dbraw/zinc/01/61/79/517016179.db2.gz YVIFRGISLGHPTJ-SFHVURJKSA-N 1 0 362.474 2.899 20 5 FFBDRO C[C@@H](C(=O)N1CCC(OCCC[NH+](C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000562300473 517018188 /nfs/dbraw/zinc/01/81/88/517018188.db2.gz DARWVWHNIKKOMQ-OAHLLOKOSA-N 1 0 363.458 2.658 20 5 FFBDRO C[C@@H]([NH2+]CC(=O)NCCc1c(F)cccc1F)c1cccc([N+](=O)[O-])c1 ZINC000537076392 517029396 /nfs/dbraw/zinc/02/93/96/517029396.db2.gz CBYSQZNZVMLXOO-GFCCVEGCSA-N 1 0 363.364 2.883 20 5 FFBDRO O=[N+]([O-])c1cccc(CC[NH2+]C[C@H](O)COc2ccccc2Cl)c1 ZINC000514856121 517092750 /nfs/dbraw/zinc/09/27/50/517092750.db2.gz ROBJQNTUSIMPFB-HNNXBMFYSA-N 1 0 350.802 2.820 20 5 FFBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000532699188 517102975 /nfs/dbraw/zinc/10/29/75/517102975.db2.gz GJQIJYJODBVSAT-OAGGEKHMSA-N 1 0 360.458 2.871 20 5 FFBDRO Cn1cc([C@@H]2C[N@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)CC2(C)C)cn1 ZINC000562442909 517110135 /nfs/dbraw/zinc/11/01/35/517110135.db2.gz ANMWKWXSHHBZKX-KRWDZBQOSA-N 1 0 372.425 2.820 20 5 FFBDRO CC[C@H](C)[NH2+][C@@H](CNC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-])c1ccco1 ZINC000519658811 517110386 /nfs/dbraw/zinc/11/03/86/517110386.db2.gz DIDWMDOCUKNRBA-RYUDHWBXSA-N 1 0 363.418 2.894 20 5 FFBDRO CCOC(=O)c1ccc(N2CC([NH2+][C@@H](C)c3ccc([N+](=O)[O-])cc3)C2)nc1 ZINC000541567580 517116170 /nfs/dbraw/zinc/11/61/70/517116170.db2.gz FTJMIBPMOZPGNF-ZDUSSCGKSA-N 1 0 370.409 2.706 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC=C(c2ccccn2)C1 ZINC000519682496 517120757 /nfs/dbraw/zinc/12/07/57/517120757.db2.gz YDIXBZBCYZTNID-MRXNPFEDSA-N 1 0 355.394 2.519 20 5 FFBDRO CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000525696676 517121523 /nfs/dbraw/zinc/12/15/23/517121523.db2.gz LVVMOSMSBUWMTP-SFHVURJKSA-N 1 0 352.394 2.523 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])c(N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)n1 ZINC000548675753 517138036 /nfs/dbraw/zinc/13/80/36/517138036.db2.gz ACRNYUVNBJRZJB-MAUKXSAKSA-N 1 0 372.473 2.859 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H](O)[C@@H]3CCOC3)o2)c(Cl)c1 ZINC000537315419 517140102 /nfs/dbraw/zinc/14/01/02/517140102.db2.gz SCWNWGQHRABOPJ-BDJLRTHQSA-N 1 0 366.801 2.995 20 5 FFBDRO CS[C@H]1CN(c2nc3c(cc2[N+](=O)[O-])CCCC3)C[C@@H]1[NH+]1CCCC1 ZINC000519712401 517142387 /nfs/dbraw/zinc/14/23/87/517142387.db2.gz XXXWSIZSLDWJGQ-IRXDYDNUSA-N 1 0 362.499 2.885 20 5 FFBDRO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCC(=O)N2 ZINC000552238980 517157087 /nfs/dbraw/zinc/15/70/87/517157087.db2.gz YNPWIOAZSSFNLB-GFCCVEGCSA-N 1 0 357.366 2.655 20 5 FFBDRO C[C@H](Cc1ccsc1)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000541740808 517195645 /nfs/dbraw/zinc/19/56/45/517195645.db2.gz RDFHUTINIDMSDM-GFCCVEGCSA-N 1 0 354.453 2.651 20 5 FFBDRO NC(=O)c1ccc(C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000520059492 517266836 /nfs/dbraw/zinc/26/68/36/517266836.db2.gz FDEHXLHNQQQICU-UHFFFAOYSA-N 1 0 355.394 2.737 20 5 FFBDRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)cc1 ZINC000520231041 517308712 /nfs/dbraw/zinc/30/87/12/517308712.db2.gz TVMJCENTWHREAO-UHFFFAOYSA-N 1 0 374.372 2.876 20 5 FFBDRO Cc1ccccc1[C@@H](CO)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000541981410 517319747 /nfs/dbraw/zinc/31/97/47/517319747.db2.gz AXCLNPVTLHNGSX-GOSISDBHSA-N 1 0 357.410 2.863 20 5 FFBDRO C[C@@H]1C[C@@H]1N1C[C@H]([NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CC1=O ZINC000537983167 517425320 /nfs/dbraw/zinc/42/53/20/517425320.db2.gz AGUPIZKMOJNOCU-HULLSVINSA-N 1 0 357.454 2.905 20 5 FFBDRO COc1ccc2c(c1)CCC[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C2 ZINC000542279882 517481428 /nfs/dbraw/zinc/48/14/28/517481428.db2.gz QDAYJDITHJLBBI-QGZVFWFLSA-N 1 0 372.421 2.792 20 5 FFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@@H]2CCCCS2(=O)=O)o1 ZINC000542312036 517497951 /nfs/dbraw/zinc/49/79/51/517497951.db2.gz RVVANZIMTSZGCU-AWEZNQCLSA-N 1 0 364.423 2.912 20 5 FFBDRO CN(CC[NH+]1CCCC1)C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000542365377 517523848 /nfs/dbraw/zinc/52/38/48/517523848.db2.gz XZQZKAMKISVKDQ-UHFFFAOYSA-N 1 0 357.863 2.895 20 5 FFBDRO Cc1cc(C)cc(OCC[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000562987599 517559746 /nfs/dbraw/zinc/55/97/46/517559746.db2.gz YPTHORTWGAADHE-QGZVFWFLSA-N 1 0 360.410 2.620 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]Cc2ccnc(C(F)(F)F)c2)c1 ZINC000562998422 517570884 /nfs/dbraw/zinc/57/08/84/517570884.db2.gz IFVAQPZKCZTREC-ZDUSSCGKSA-N 1 0 371.315 2.538 20 5 FFBDRO O=C(NC1CC([NH+]2CCCCC2)C1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000527239048 517585189 /nfs/dbraw/zinc/58/51/89/517585189.db2.gz FDPHMSXNNLMINJ-UHFFFAOYSA-N 1 0 358.442 2.679 20 5 FFBDRO COc1ccc(OCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000538378997 517595602 /nfs/dbraw/zinc/59/56/02/517595602.db2.gz PYKSHFZBBIKQOT-LJQANCHMSA-N 1 0 371.437 2.971 20 5 FFBDRO Cc1c(Br)c(N2CCC(C[NH+](C)C)CC2)ncc1[N+](=O)[O-] ZINC000542519087 517606809 /nfs/dbraw/zinc/60/68/09/517606809.db2.gz JAYVUYLBGJEWQP-UHFFFAOYSA-N 1 0 357.252 2.839 20 5 FFBDRO COc1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000521131644 517623636 /nfs/dbraw/zinc/62/36/36/517623636.db2.gz NAOIWFIXPCXQNJ-KRWDZBQOSA-N 1 0 369.421 2.884 20 5 FFBDRO COc1ccc([C@H](C[NH+](C)C)NC(=O)c2ccc([N+](=O)[O-])cc2C)cc1 ZINC000560249950 517657717 /nfs/dbraw/zinc/65/77/17/517657717.db2.gz NOJLLTSXBLCKKC-SFHVURJKSA-N 1 0 357.410 2.945 20 5 FFBDRO [NH3+]CC[C@H]1CCCCN1C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000516453507 517695941 /nfs/dbraw/zinc/69/59/41/517695941.db2.gz PJQTYQGJJAJAIG-LLVKDONJSA-N 1 0 356.220 2.701 20 5 FFBDRO C[C@@H]1CCCC[N@@H+]1CCN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000556874431 517721067 /nfs/dbraw/zinc/72/10/67/517721067.db2.gz JUNQNMJRQSMPFS-CRAIPNDOSA-N 1 0 357.458 2.882 20 5 FFBDRO CC(=O)NCC[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C1CCSCC1 ZINC000549852310 517745909 /nfs/dbraw/zinc/74/59/09/517745909.db2.gz ILDRDNHRGISRTI-GQCTYLIASA-N 1 0 363.483 2.942 20 5 FFBDRO CCCCO[C@H]1C[C@H]([N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)C1(C)C ZINC000534178483 517773982 /nfs/dbraw/zinc/77/39/82/517773982.db2.gz VBGXZRHKKNXPOD-HOTGVXAUSA-N 1 0 351.447 2.672 20 5 FFBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000516623378 517774583 /nfs/dbraw/zinc/77/45/83/517774583.db2.gz LMBOFUVLFJHPMG-IUODEOHRSA-N 1 0 372.400 2.881 20 5 FFBDRO C[C@H]1C[C@H](NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC000542852641 517781486 /nfs/dbraw/zinc/78/14/86/517781486.db2.gz OBYWXDDGLPDZIY-ONGXEEELSA-N 1 0 355.341 2.551 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H]2CCC[N@@H+]2C2CCCCC2)n1 ZINC000553562094 517784450 /nfs/dbraw/zinc/78/44/50/517784450.db2.gz SBZMEBPUVWCDHA-AWEZNQCLSA-N 1 0 362.430 2.985 20 5 FFBDRO COc1cc(C(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000521670967 517821628 /nfs/dbraw/zinc/82/16/28/517821628.db2.gz CPTNZLOLAIQJRK-CHWSQXEVSA-N 1 0 365.430 2.605 20 5 FFBDRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000560533526 517878550 /nfs/dbraw/zinc/87/85/50/517878550.db2.gz MZKZTMZYSHPINP-UKRRQHHQSA-N 1 0 365.455 2.564 20 5 FFBDRO COc1c(C(=O)N(C)CCC[N@H+](C)Cc2ccco2)cccc1[N+](=O)[O-] ZINC000557164073 517894723 /nfs/dbraw/zinc/89/47/23/517894723.db2.gz JCWQHRDWPPLZBJ-UHFFFAOYSA-N 1 0 361.398 2.791 20 5 FFBDRO CC[N@H+](CCc1cccs1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000543131972 517923751 /nfs/dbraw/zinc/92/37/51/517923751.db2.gz IJZAQXCSVYPLSI-CQSZACIVSA-N 1 0 350.440 2.961 20 5 FFBDRO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000516945695 517931130 /nfs/dbraw/zinc/93/11/30/517931130.db2.gz YZLNLAMJWHIXTA-CYBMUJFWSA-N 1 0 367.396 2.892 20 5 FFBDRO CCC(CC)[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccs1 ZINC000539278957 517977442 /nfs/dbraw/zinc/97/74/42/517977442.db2.gz YALTVYVQMGSMHO-ZBFHGGJFSA-N 1 0 352.460 2.981 20 5 FFBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000534768880 518027301 /nfs/dbraw/zinc/02/73/01/518027301.db2.gz LUYJYNDOGYSKRB-SFHVURJKSA-N 1 0 368.437 2.561 20 5 FFBDRO CC(C)[C@@H](CNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)[NH+]1CCC(C)CC1 ZINC000557493333 518035270 /nfs/dbraw/zinc/03/52/70/518035270.db2.gz MXRNRUJAMQUZCC-QGZVFWFLSA-N 1 0 373.457 2.834 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCCC[C@H]2CCc2ccccc2)c1 ZINC000534863440 518062237 /nfs/dbraw/zinc/06/22/37/518062237.db2.gz GBJGMYMBMSWLBS-PKOBYXMFSA-N 1 0 358.442 2.640 20 5 FFBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H]2CCCCS2(=O)=O)cc1[N+](=O)[O-] ZINC000543428640 518085119 /nfs/dbraw/zinc/08/51/19/518085119.db2.gz BVIWOYPUPZHZGS-GXTWGEPZSA-N 1 0 356.444 2.611 20 5 FFBDRO C[NH+](C)CCSCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000531032748 518109942 /nfs/dbraw/zinc/10/99/42/518109942.db2.gz NXSQUPVAPAFQEG-UHFFFAOYSA-N 1 0 366.468 2.952 20 5 FFBDRO CCCC[C@H](C)[C@@H](C)[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000517427707 518146147 /nfs/dbraw/zinc/14/61/47/518146147.db2.gz DCYPUJMRTWYSRE-UONOGXRCSA-N 1 0 357.476 2.678 20 5 FFBDRO CN(CCC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccccc1 ZINC000566793712 518209431 /nfs/dbraw/zinc/20/94/31/518209431.db2.gz BPPHIBZIHVHYLU-UHFFFAOYSA-N 1 0 355.442 2.638 20 5 FFBDRO [NH3+][C@@H]1CCO[C@H]1C1CCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000566797032 518210498 /nfs/dbraw/zinc/21/04/98/518210498.db2.gz RHVMHDSXTJXLIU-ZBFHGGJFSA-N 1 0 371.384 2.524 20 5 FFBDRO NC(=O)c1ccnc(NCc2ccccc2C[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000584205013 518225298 /nfs/dbraw/zinc/22/52/98/518225298.db2.gz OOKDSNZTQPKZGT-UHFFFAOYSA-N 1 0 369.425 2.687 20 5 FFBDRO COc1c[nH+]ccc1N1CCN(c2ccc([N+](=O)[O-])c(OC(C)C)n2)CC1 ZINC000566927051 518269477 /nfs/dbraw/zinc/26/94/77/518269477.db2.gz TWGMXVMGQGIDRH-UHFFFAOYSA-N 1 0 373.413 2.507 20 5 FFBDRO CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000567056349 518331926 /nfs/dbraw/zinc/33/19/26/518331926.db2.gz XNEVJBQCGQPUPW-QGZVFWFLSA-N 1 0 371.441 2.727 20 5 FFBDRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000567084613 518344629 /nfs/dbraw/zinc/34/46/29/518344629.db2.gz FBMJHJKUDBZCLJ-OAHLLOKOSA-N 1 0 373.457 2.744 20 5 FFBDRO Cc1cccc(OC[C@@H](C)[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000584524916 518383830 /nfs/dbraw/zinc/38/38/30/518383830.db2.gz NCDORYRLFLDHHC-HZPDHXFCSA-N 1 0 360.410 2.700 20 5 FFBDRO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cn2C)CC[N@H+](Cc2ccccc2)C1 ZINC000576082152 518418444 /nfs/dbraw/zinc/41/84/44/518418444.db2.gz CQBICGSREIFXAW-OAHLLOKOSA-N 1 0 356.426 2.527 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2CC[C@@H](c3ccc(Cl)cc3)C2)c1 ZINC000576100809 518429201 /nfs/dbraw/zinc/42/92/01/518429201.db2.gz FCKBMRPMJQLSMG-UKPHBRMFSA-N 1 0 364.833 2.732 20 5 FFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC([NH2+]CCOC)CC1 ZINC000581733321 518429860 /nfs/dbraw/zinc/42/98/60/518429860.db2.gz BNABBHVCIJAJBL-UHFFFAOYSA-N 1 0 367.471 2.547 20 5 FFBDRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000572952298 518436338 /nfs/dbraw/zinc/43/63/38/518436338.db2.gz CNPGORCFVCBFIE-UEKVPHQBSA-N 1 0 360.439 2.835 20 5 FFBDRO COc1ccc(NC(=O)NCC2(SC)CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000584751102 518458354 /nfs/dbraw/zinc/45/83/54/518458354.db2.gz VUGMYCNIEOGPTP-UHFFFAOYSA-N 1 0 368.459 2.552 20 5 FFBDRO CCCC[N@H+](C)C[C@@H](C)NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000579055832 518497696 /nfs/dbraw/zinc/49/76/96/518497696.db2.gz ONJRBUBUAYKKEE-LLVKDONJSA-N 1 0 363.867 2.647 20 5 FFBDRO O=C1[C@@H]([NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)CCCN1c1ccccc1 ZINC000570261790 518522464 /nfs/dbraw/zinc/52/24/64/518522464.db2.gz XBGCOVOGOROYHU-KRWDZBQOSA-N 1 0 369.425 2.624 20 5 FFBDRO CC(C)(C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1c(F)cccc1Cl ZINC000567464174 518537519 /nfs/dbraw/zinc/53/75/19/518537519.db2.gz IUDJSGJVRIVSBQ-LBPRGKRZSA-N 1 0 370.812 2.512 20 5 FFBDRO COc1cc(C(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cc([N+](=O)[O-])c1C ZINC000573205572 518555277 /nfs/dbraw/zinc/55/52/77/518555277.db2.gz ZNDVADPFTQNJMQ-SJORKVTESA-N 1 0 369.421 2.726 20 5 FFBDRO O=C(NC[C@@H]1CCC[NH2+]C1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000582121160 518597573 /nfs/dbraw/zinc/59/75/73/518597573.db2.gz UGOWLRNCRFJDAY-LLVKDONJSA-N 1 0 371.387 2.689 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C2CCN(c3ccccn3)CC2)n1 ZINC000585794120 518602130 /nfs/dbraw/zinc/60/21/30/518602130.db2.gz FTMDPYXHQXSCMY-DLBZAZTESA-N 1 0 370.457 2.929 20 5 FFBDRO COc1ccccc1C1(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000564846553 518647924 /nfs/dbraw/zinc/64/79/24/518647924.db2.gz AKIXIXGSEDBSNT-MRXNPFEDSA-N 1 0 372.421 2.665 20 5 FFBDRO COc1ccc(COC[C@H](O)C[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000564863135 518660416 /nfs/dbraw/zinc/66/04/16/518660416.db2.gz HAELPXBWUDVGAH-QGZVFWFLSA-N 1 0 360.410 2.579 20 5 FFBDRO CS[C@H]1CN(c2ncnc3sc([N+](=O)[O-])cc32)C[C@H]1[NH+]1CCCC1 ZINC000588021569 518704650 /nfs/dbraw/zinc/70/46/50/518704650.db2.gz YGBNZSKIYCKTQP-NEPJUHHUSA-N 1 0 365.484 2.616 20 5 FFBDRO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000579586902 518753673 /nfs/dbraw/zinc/75/36/73/518753673.db2.gz NJPFHLHNGWLMAB-RYUDHWBXSA-N 1 0 374.363 2.530 20 5 FFBDRO CS(=O)(=O)CC1CCC([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000579614160 518766813 /nfs/dbraw/zinc/76/68/13/518766813.db2.gz TXMPDFZSOXCEPF-SEEARECTSA-N 1 0 352.456 2.775 20 5 FFBDRO CC[NH+]1C[C@H](C)N(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000573722007 518805002 /nfs/dbraw/zinc/80/50/02/518805002.db2.gz REIKPQCAJDCGRG-GJZGRUSLSA-N 1 0 360.458 2.750 20 5 FFBDRO COc1ccc(C(=O)N[C@]2(C)CC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000568011346 518830242 /nfs/dbraw/zinc/83/02/42/518830242.db2.gz KRGYYRBKQUGOSU-HXUWFJFHSA-N 1 0 369.421 2.998 20 5 FFBDRO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)CC2 ZINC000579794217 518852941 /nfs/dbraw/zinc/85/29/41/518852941.db2.gz SSYCILFHDQILNW-ILXRZTDVSA-N 1 0 373.461 2.595 20 5 FFBDRO COc1cc(C[NH2+][C@@H]2CO[C@H](C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000579836804 518879437 /nfs/dbraw/zinc/87/94/37/518879437.db2.gz VNGRNUMOYPNTMO-KOLCDFICSA-N 1 0 364.320 2.812 20 5 FFBDRO CN1CCC[N@H+](CCCN[C@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)CC1 ZINC000565309950 518893988 /nfs/dbraw/zinc/89/39/88/518893988.db2.gz PYTBIBVESZEQTC-MRXNPFEDSA-N 1 0 374.407 2.815 20 5 FFBDRO CC1CC[NH+](CCN[C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000573987833 518932222 /nfs/dbraw/zinc/93/22/22/518932222.db2.gz DRYJTDMCXCKQGX-GOSISDBHSA-N 1 0 357.458 2.739 20 5 FFBDRO C[C@H]1CC[C@@H]([N@H+](CCO)CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000589261245 518966998 /nfs/dbraw/zinc/96/69/98/518966998.db2.gz IXUGASHZOAICMV-WCQYABFASA-N 1 0 355.822 2.670 20 5 FFBDRO CCc1nocc1C[N@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000577234593 518980464 /nfs/dbraw/zinc/98/04/64/518980464.db2.gz PHXWEKQSQQKXGX-UHFFFAOYSA-N 1 0 360.370 2.575 20 5 FFBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(CC(N)=O)cc2)cc1[N+](=O)[O-] ZINC000589344819 518985898 /nfs/dbraw/zinc/98/58/98/518985898.db2.gz LZKSBPGIPOGFDX-CYBMUJFWSA-N 1 0 357.410 2.872 20 5 FFBDRO COCc1nc(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cs1 ZINC000565568807 519022053 /nfs/dbraw/zinc/02/20/53/519022053.db2.gz NLKTZYTZCYBNPN-OLZOCXBDSA-N 1 0 351.432 2.668 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)c1 ZINC000574192821 519033690 /nfs/dbraw/zinc/03/36/90/519033690.db2.gz MUVRFGOONWVOQE-CORIIIEPSA-N 1 0 371.224 2.605 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H](c2ccccc2)[C@H]2CCCO2)c1 ZINC000580184546 519049714 /nfs/dbraw/zinc/04/97/14/519049714.db2.gz GXHKQOZHNVCVJL-MISYRCLQSA-N 1 0 372.421 2.844 20 5 FFBDRO CCOc1ccc(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1F ZINC000577500303 519111993 /nfs/dbraw/zinc/11/19/93/519111993.db2.gz BOOMQODHLZUEBM-HNNXBMFYSA-N 1 0 364.373 2.662 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000590014363 519130113 /nfs/dbraw/zinc/13/01/13/519130113.db2.gz BSRIDNIQDJWCMW-SJCJKPOMSA-N 1 0 367.833 2.570 20 5 FFBDRO C[NH2+][C@H]1CCN([C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C1 ZINC000568631006 519139118 /nfs/dbraw/zinc/13/91/18/519139118.db2.gz YIOKFTCPWHUWNJ-QFBILLFUSA-N 1 0 368.437 2.877 20 5 FFBDRO CCCC[N@H+](C)CC1CCN(c2nccc(C(=O)OC)c2[N+](=O)[O-])CC1 ZINC000590575388 519271507 /nfs/dbraw/zinc/27/15/07/519271507.db2.gz XWKYMYUEXQFFMA-UHFFFAOYSA-N 1 0 364.446 2.725 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](O)COc1cc(C)cc(C)c1 ZINC000566063307 519274363 /nfs/dbraw/zinc/27/43/63/519274363.db2.gz OEKFTMCQUCTTOO-QGZVFWFLSA-N 1 0 360.410 2.750 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](c3ccccn3)C2)c1 ZINC000590602699 519285915 /nfs/dbraw/zinc/28/59/15/519285915.db2.gz VTQMLTRXAQRLKZ-WBVHZDCISA-N 1 0 357.410 2.609 20 5 FFBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+][C@@H]1CCO[C@@H](c3ccncc3)C1)OCCO2 ZINC000590660230 519305302 /nfs/dbraw/zinc/30/53/02/519305302.db2.gz QYPYQVGHMLRLBG-NVXWUHKLSA-N 1 0 371.393 2.771 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000580709960 519314793 /nfs/dbraw/zinc/31/47/93/519314793.db2.gz IJKISXOCWLYBQL-SCTDSRPQSA-N 1 0 372.421 2.844 20 5 FFBDRO Cc1c2ccccc2n(C)c1C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000566123583 519315906 /nfs/dbraw/zinc/31/59/06/519315906.db2.gz MGPAKTSRGXXWMJ-OAHLLOKOSA-N 1 0 369.421 2.924 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2csc(N3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)n2)cc1 ZINC000590688584 519318086 /nfs/dbraw/zinc/31/80/86/519318086.db2.gz QRBUSXCUINUTLA-SJORKVTESA-N 1 0 374.466 2.754 20 5 FFBDRO COc1cccc(C2(C[NH2+]C[C@@H](O)COc3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000566129024 519319200 /nfs/dbraw/zinc/31/92/00/519319200.db2.gz SPJKMLNTKIWJGV-QGZVFWFLSA-N 1 0 372.421 2.665 20 5 FFBDRO COc1ccc(NC(=O)[C@H](C)SCC2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000583691881 519383878 /nfs/dbraw/zinc/38/38/78/519383878.db2.gz SRFWTOVKVTYWPG-NSHDSACASA-N 1 0 353.444 2.663 20 5 FFBDRO Cn1ncc2ccc(C[NH2+][C@H]3CCCC[C@H]3n3ccc([N+](=O)[O-])n3)cc21 ZINC000569167391 519409659 /nfs/dbraw/zinc/40/96/59/519409659.db2.gz MOCNCBYLSQLSFR-JKSUJKDBSA-N 1 0 354.414 2.952 20 5 FFBDRO CN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C1CC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000580899206 519416828 /nfs/dbraw/zinc/41/68/28/519416828.db2.gz YYUPMAPCIXPLLM-QGZVFWFLSA-N 1 0 368.441 2.861 20 5 FFBDRO CC(C)Oc1nc(NC2CC[NH+](Cc3ccccn3)CC2)ccc1[N+](=O)[O-] ZINC000583763389 519422637 /nfs/dbraw/zinc/42/26/37/519422637.db2.gz XTPBYPJWJNKCCS-UHFFFAOYSA-N 1 0 371.441 2.670 20 5 FFBDRO CC[NH+]1CCN(CCCN[C@@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)CC1 ZINC000566345466 519445124 /nfs/dbraw/zinc/44/51/24/519445124.db2.gz HCVIZKUOFNNFPA-INIZCTEOSA-N 1 0 374.407 2.815 20 5 FFBDRO Cc1cc2cc(C[NH2+]C[C@H](O)COc3ccccc3[N+](=O)[O-])ccc2[nH]1 ZINC000575054238 519475975 /nfs/dbraw/zinc/47/59/75/519475975.db2.gz WIENXMNIRQRLQE-INIZCTEOSA-N 1 0 355.394 2.914 20 5 FFBDRO CCc1ccc(S(=O)(=O)NCCCCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000578234348 519488883 /nfs/dbraw/zinc/48/88/83/519488883.db2.gz WCGYRGLKKSNMRR-UHFFFAOYSA-N 1 0 369.487 2.702 20 5 FFBDRO C[C@@H]1Oc2cc(F)ccc2[C@H]1[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000578232775 519489154 /nfs/dbraw/zinc/48/91/54/519489154.db2.gz HVKNZYOEXODSFD-SRBZOADZSA-N 1 0 362.357 2.585 20 5 FFBDRO Cc1cccc(C(=O)Nc2cccc(C[N@@H+]3CC[C@@H](O)C3)c2)c1[N+](=O)[O-] ZINC000569392200 519526381 /nfs/dbraw/zinc/52/63/81/519526381.db2.gz YJKCKOAZQJSEFB-MRXNPFEDSA-N 1 0 355.394 2.722 20 5 FFBDRO C[NH+](C)C1(CNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)CC1 ZINC000575234534 519566341 /nfs/dbraw/zinc/56/63/41/519566341.db2.gz AQAIRZKZRNWJIS-UHFFFAOYSA-N 1 0 371.387 2.784 20 5 FFBDRO C[N@@H+]1CCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C(C)(C)C ZINC000602874769 519942361 /nfs/dbraw/zinc/94/23/61/519942361.db2.gz UABWTCUHCJXNSR-HNNXBMFYSA-N 1 0 368.865 2.849 20 5 FFBDRO COc1cc(C[NH2+][C@@H](c2ccncc2)C2(CO)CCC2)ccc1[N+](=O)[O-] ZINC000602901344 519960479 /nfs/dbraw/zinc/96/04/79/519960479.db2.gz HJZJWCBZGAQUFG-SFHVURJKSA-N 1 0 357.410 2.992 20 5 FFBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H](c2ccncc2)C2(CO)CCC2)cc1 ZINC000602903330 519961766 /nfs/dbraw/zinc/96/17/66/519961766.db2.gz QQYASRJLAUUXBY-SFHVURJKSA-N 1 0 357.410 2.862 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(SC)CC1 ZINC000602923622 519974251 /nfs/dbraw/zinc/97/42/51/519974251.db2.gz SOWKTBIPAYKNND-UHFFFAOYSA-N 1 0 353.444 2.759 20 5 FFBDRO Cc1cc(C)c(S(=O)(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000594485148 519994409 /nfs/dbraw/zinc/99/44/09/519994409.db2.gz XJZYGDVAOOVVMP-HUUCEWRRSA-N 1 0 367.471 2.507 20 5 FFBDRO C[C@@](CO)([NH2+]C[C@@H](O)Cc1cccc(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000602963651 519996906 /nfs/dbraw/zinc/99/69/06/519996906.db2.gz YAJVPHFASGFBSV-ROUUACIJSA-N 1 0 364.829 2.649 20 5 FFBDRO COc1ccccc1[C@H]([NH3+])CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000591680813 519997288 /nfs/dbraw/zinc/99/72/88/519997288.db2.gz JRUOQKYOWKROKQ-OAHLLOKOSA-N 1 0 370.409 2.608 20 5 FFBDRO CCC1([NH+](C)C)CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000602967421 519999383 /nfs/dbraw/zinc/99/93/83/519999383.db2.gz IAZXXDLGKCUBSY-UHFFFAOYSA-N 1 0 359.430 2.951 20 5 FFBDRO O=C(NCCC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1cccc(O)c1 ZINC000594493289 520001645 /nfs/dbraw/zinc/00/16/45/520001645.db2.gz KXGMUHSFOQNCMR-KRWDZBQOSA-N 1 0 355.394 2.697 20 5 FFBDRO CO[C@](C)(CO)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000594512211 520008722 /nfs/dbraw/zinc/00/87/22/520008722.db2.gz VAGJTAPPKGIKBE-INIZCTEOSA-N 1 0 354.790 2.995 20 5 FFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1c2ccccc2C[C@@H]1O ZINC000594519350 520011991 /nfs/dbraw/zinc/01/19/91/520011991.db2.gz PYVVBPVKGDGFIE-KHDYIWLOSA-N 1 0 355.394 2.560 20 5 FFBDRO CC(C)[NH2+][C@@H]1CCCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)C1 ZINC000594549414 520020896 /nfs/dbraw/zinc/02/08/96/520020896.db2.gz TVUCIVPTYVCUJU-CQSZACIVSA-N 1 0 366.437 2.537 20 5 FFBDRO CCn1ccc(C[N@H+](C)CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)c1 ZINC000616786049 520139022 /nfs/dbraw/zinc/13/90/22/520139022.db2.gz AYHFZJXBCGLYIA-UHFFFAOYSA-N 1 0 358.398 2.846 20 5 FFBDRO O=C(CCOc1ccccc1[N+](=O)[O-])NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000600227766 520139526 /nfs/dbraw/zinc/13/95/26/520139526.db2.gz GBOLPAFDAJEUHA-INIZCTEOSA-N 1 0 361.442 2.887 20 5 FFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)n1cc(C[C@@H]([NH3+])Cc2ccccc2)nn1 ZINC000603186972 520144912 /nfs/dbraw/zinc/14/49/12/520144912.db2.gz YGJAINFPJXQDNJ-YOEHRIQHSA-N 1 0 351.410 2.908 20 5 FFBDRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000597701659 520187338 /nfs/dbraw/zinc/18/73/38/520187338.db2.gz VSLHULJADCWVHO-TVQRCGJNSA-N 1 0 356.220 2.522 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000597717013 520193935 /nfs/dbraw/zinc/19/39/35/520193935.db2.gz VZQPRRDMMRVYAW-IBGZPJMESA-N 1 0 361.442 2.616 20 5 FFBDRO CCc1cc(NCC[NH+]2CCCCC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000609111596 520194035 /nfs/dbraw/zinc/19/40/35/520194035.db2.gz PIOTXFYHAYNBKI-UHFFFAOYSA-N 1 0 355.442 2.934 20 5 FFBDRO C[N@@H+]1CCCC[C@@H](CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000600311643 520198876 /nfs/dbraw/zinc/19/88/76/520198876.db2.gz BSXFWBURUHXYSU-ZDUSSCGKSA-N 1 0 351.422 2.860 20 5 FFBDRO COc1ccc(N2C[C@H]([NH2+]Cc3ccc(OC)c([N+](=O)[O-])c3)CC2=O)cc1 ZINC000594965379 520232765 /nfs/dbraw/zinc/23/27/65/520232765.db2.gz GFAVKFRFDSJGDQ-CQSZACIVSA-N 1 0 371.393 2.507 20 5 FFBDRO C[C@H]1CC[C@@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CS1(=O)=O ZINC000594973445 520236601 /nfs/dbraw/zinc/23/66/01/520236601.db2.gz BRVGLFWJSWILOI-GXTWGEPZSA-N 1 0 364.423 2.910 20 5 FFBDRO C[C@@H]1COCC[N@@H+]1C1CCN(c2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000603402038 520249496 /nfs/dbraw/zinc/24/94/96/520249496.db2.gz LSHBFUXXDUYSOV-CQSZACIVSA-N 1 0 356.426 2.833 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCCN1C[C@H](C)O[C@@H](C)C1 ZINC000595003043 520250805 /nfs/dbraw/zinc/25/08/05/520250805.db2.gz BMEQGJBVWQLXHP-KKUMJFAQSA-N 1 0 351.447 2.753 20 5 FFBDRO CC1(C)[C@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]2CCC[C@@H]21 ZINC000595032258 520263792 /nfs/dbraw/zinc/26/37/92/520263792.db2.gz LTVLGGFOXBYZCI-OWCLPIDISA-N 1 0 352.456 2.783 20 5 FFBDRO Cn1ccnc1[C@@H](N[C@H]1CC[N@@H+](C(C)(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000595056352 520271893 /nfs/dbraw/zinc/27/18/93/520271893.db2.gz FOPMTLYOKMYXIM-RDJZCZTQSA-N 1 0 357.458 2.880 20 5 FFBDRO C[C@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)C1CC[NH+](C)CC1 ZINC000613021539 520276348 /nfs/dbraw/zinc/27/63/48/520276348.db2.gz DVFPYKMXAPTHKV-LBPRGKRZSA-N 1 0 351.422 2.858 20 5 FFBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592256284 520293623 /nfs/dbraw/zinc/29/36/23/520293623.db2.gz XADPZTVNIPNRBJ-CVEARBPZSA-N 1 0 360.458 2.635 20 5 FFBDRO O=C1N(CC[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C[C@H]2CCCCN12 ZINC000595102115 520294674 /nfs/dbraw/zinc/29/46/74/520294674.db2.gz JUAWXRAKGVASRS-SJLPKXTDSA-N 1 0 358.442 2.852 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000597875595 520298886 /nfs/dbraw/zinc/29/88/86/520298886.db2.gz YMUBHYRRNIDMAJ-UHFFFAOYSA-N 1 0 361.442 2.524 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000603601896 520323235 /nfs/dbraw/zinc/32/32/35/520323235.db2.gz KOQPSHPOUZIXMK-MRXNPFEDSA-N 1 0 369.421 2.998 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000597925413 520326401 /nfs/dbraw/zinc/32/64/01/520326401.db2.gz ORVKVVCCVSRKJT-OAHLLOKOSA-N 1 0 360.458 2.798 20 5 FFBDRO O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1cc([N+](=O)[O-])c[nH]1 ZINC000609530083 520343943 /nfs/dbraw/zinc/34/39/43/520343943.db2.gz OKYWTZRLKYTFHL-MQVJKMGUSA-N 1 0 354.410 2.848 20 5 FFBDRO COc1ccc(CSCc2nc([C@H]3CCC[NH2+]3)no2)cc1[N+](=O)[O-] ZINC000592357147 520347197 /nfs/dbraw/zinc/34/71/97/520347197.db2.gz REDQQSIAXROVOH-LLVKDONJSA-N 1 0 350.400 2.844 20 5 FFBDRO C[C@H](CNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)[N@@H+]1CCCC[C@@H]1C ZINC000609547792 520353876 /nfs/dbraw/zinc/35/38/76/520353876.db2.gz JIPGANJFJUELJK-QWHCGFSZSA-N 1 0 372.425 2.841 20 5 FFBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1SC ZINC000592375874 520357595 /nfs/dbraw/zinc/35/75/95/520357595.db2.gz QOKZLCHQUVOPGX-LYRGGWFBSA-N 1 0 356.444 2.611 20 5 FFBDRO CCOc1cc(NC(=O)NCC2([NH3+])CCCC2)c([N+](=O)[O-])cc1OCC ZINC000595231797 520363185 /nfs/dbraw/zinc/36/31/85/520363185.db2.gz JRUPKWXWGOMETE-UHFFFAOYSA-N 1 0 366.418 2.785 20 5 FFBDRO CCOc1ccc([C@H](C)[NH2+]CC(C)(C)[C@@]2(O)CCOC2)cc1[N+](=O)[O-] ZINC000592398154 520367963 /nfs/dbraw/zinc/36/79/63/520367963.db2.gz QBFGKQYFQKUEMI-SCLBCKFNSA-N 1 0 352.431 2.822 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000613178953 520371624 /nfs/dbraw/zinc/37/16/24/520371624.db2.gz HSMKOGJDEFINDG-INIZCTEOSA-N 1 0 354.410 2.801 20 5 FFBDRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)c2ccc([N+](=O)[O-])cc2C)cc1 ZINC000595255751 520374940 /nfs/dbraw/zinc/37/49/40/520374940.db2.gz BYRAKKGNMWQKGV-OALUTQOASA-N 1 0 369.421 2.787 20 5 FFBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000595267610 520380605 /nfs/dbraw/zinc/38/06/05/520380605.db2.gz GCHXNXFKHUBXRD-RTBURBONSA-N 1 0 353.422 2.789 20 5 FFBDRO Cc1c(CNC(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)cccc1[N+](=O)[O-] ZINC000595273414 520382019 /nfs/dbraw/zinc/38/20/19/520382019.db2.gz ANGNTJBFQUTTLC-KRWDZBQOSA-N 1 0 360.458 2.824 20 5 FFBDRO [NH3+]CCCN(Cc1ccccc1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000592432441 520387679 /nfs/dbraw/zinc/38/76/79/520387679.db2.gz JCKJWAULZGMNCZ-UHFFFAOYSA-N 1 0 357.410 2.717 20 5 FFBDRO CCN(C(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CC[N@H+](CC)C1 ZINC000598040545 520389623 /nfs/dbraw/zinc/38/96/23/520389623.db2.gz HTNPBLQEPSNTMB-JSGCOSHPSA-N 1 0 369.849 2.958 20 5 FFBDRO CCCC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000609674922 520403160 /nfs/dbraw/zinc/40/31/60/520403160.db2.gz XNXKJMVRBOHLRV-HNNXBMFYSA-N 1 0 369.487 2.836 20 5 FFBDRO CC1(OCC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)C[NH2+]C1 ZINC000592536058 520446851 /nfs/dbraw/zinc/44/68/51/520446851.db2.gz GLUKCHBYEOWKCN-UHFFFAOYSA-N 1 0 357.366 2.704 20 5 FFBDRO O=C(N[C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc([N+](=O)[O-])cc1Br ZINC000592568925 520458512 /nfs/dbraw/zinc/45/85/12/520458512.db2.gz QQICPJNHALDHGS-SNVBAGLBSA-N 1 0 368.231 2.762 20 5 FFBDRO C[C@@H](c1ccccc1)[C@H](CO)[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000613389608 520478424 /nfs/dbraw/zinc/47/84/24/520478424.db2.gz ORDOHZGWUZTHOO-GUYCJALGSA-N 1 0 368.393 2.899 20 5 FFBDRO CN(CC(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000598218092 520499785 /nfs/dbraw/zinc/49/97/85/520499785.db2.gz FPAVQWJHJZGKTC-OAHLLOKOSA-N 1 0 360.458 2.554 20 5 FFBDRO Cc1cc(=O)[nH]c(C(C)(C)[NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)n1 ZINC000595525843 520528810 /nfs/dbraw/zinc/52/88/10/520528810.db2.gz IWJOAPYRCIIOEI-UHFFFAOYSA-N 1 0 373.413 2.561 20 5 FFBDRO CC(C)(C)n1nnc(CC[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000595526506 520529612 /nfs/dbraw/zinc/52/96/12/520529612.db2.gz SRUVJHCDENZRAJ-HNNXBMFYSA-N 1 0 358.446 2.758 20 5 FFBDRO O=C(NCc1cccc([N+](=O)[O-])c1)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000604535024 520593467 /nfs/dbraw/zinc/59/34/67/520593467.db2.gz PBQLIZKSJCUWGX-KRWDZBQOSA-N 1 0 354.410 2.518 20 5 FFBDRO CCCN(C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)[C@H]1CC[N@H+](C)C1 ZINC000592830160 520606800 /nfs/dbraw/zinc/60/68/00/520606800.db2.gz COLRQHFXJKYWED-INIZCTEOSA-N 1 0 360.458 2.751 20 5 FFBDRO C[N@@H+]1C[C@@H](CNC(=O)c2ccc(F)cc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000592881333 520631736 /nfs/dbraw/zinc/63/17/36/520631736.db2.gz MFEZYFQMCTWRIT-PBHICJAKSA-N 1 0 357.385 2.809 20 5 FFBDRO COc1ccc([C@@H](CNc2ncc(F)cc2[N+](=O)[O-])[NH+](C)C)cc1OC ZINC000601100216 520634966 /nfs/dbraw/zinc/63/49/66/520634966.db2.gz NIAMNGSGJIIEKE-CQSZACIVSA-N 1 0 364.377 2.861 20 5 FFBDRO O=C(CCNc1ccccc1[N+](=O)[O-])NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000598509266 520668903 /nfs/dbraw/zinc/66/89/03/520668903.db2.gz KVWLMBFQQLPWHT-KRWDZBQOSA-N 1 0 368.437 2.788 20 5 FFBDRO O=C(NCC1CC[NH+](CC2CC2)CC1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000598537670 520688869 /nfs/dbraw/zinc/68/88/69/520688869.db2.gz LRRQJLGLDQRLQD-UHFFFAOYSA-N 1 0 356.426 2.928 20 5 FFBDRO C[NH+](C)CCOc1ccc(NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])cc1 ZINC000593034650 520696734 /nfs/dbraw/zinc/69/67/34/520696734.db2.gz PXGRQCYYZQRPFF-UHFFFAOYSA-N 1 0 361.373 2.856 20 5 FFBDRO O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000598559956 520705323 /nfs/dbraw/zinc/70/53/23/520705323.db2.gz JQGGSBCGPYYLMV-AWEZNQCLSA-N 1 0 356.426 2.928 20 5 FFBDRO O=[N+]([O-])c1c2cccnc2ccc1N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000610489205 520711181 /nfs/dbraw/zinc/71/11/81/520711181.db2.gz MQMBMGHIOKGNKU-OAHLLOKOSA-N 1 0 356.426 2.834 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H]1CCC[C@H]1Cc1cnn(C)c1 ZINC000595770867 520713721 /nfs/dbraw/zinc/71/37/21/520713721.db2.gz OBJRPQFMIUHFDB-DOTOQJQBSA-N 1 0 371.441 2.576 20 5 FFBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@H](n1cncn1)C(F)(F)F)C1CC1 ZINC000601293067 520727440 /nfs/dbraw/zinc/72/74/40/520727440.db2.gz CNKYMHUDSMSNAS-HIFRSBDPSA-N 1 0 369.347 2.901 20 5 FFBDRO CCCC[NH+]1CCC(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)CC1 ZINC000598598592 520733426 /nfs/dbraw/zinc/73/34/26/520733426.db2.gz CPBVMTXUCLWGMW-UHFFFAOYSA-N 1 0 369.487 2.754 20 5 FFBDRO O=C1CCCN1C[C@H]1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000595828570 520751284 /nfs/dbraw/zinc/75/12/84/520751284.db2.gz LDYIODXPVHNRGR-AWEZNQCLSA-N 1 0 370.409 2.694 20 5 FFBDRO COc1cc(C[N@@H+]2CC[C@H](C)[C@@H](CO)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000598645781 520757838 /nfs/dbraw/zinc/75/78/38/520757838.db2.gz IBTUWDKYMAGNCT-WCQYABFASA-N 1 0 374.384 2.698 20 5 FFBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601446708 520791024 /nfs/dbraw/zinc/79/10/24/520791024.db2.gz AQPFDIILWLMOTE-BBRMVZONSA-N 1 0 357.385 2.984 20 5 FFBDRO C[NH+](C)CCN(Cc1ccsc1)C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593172059 520797940 /nfs/dbraw/zinc/79/79/40/520797940.db2.gz GAVOUXOGHIVHNH-UHFFFAOYSA-N 1 0 365.430 2.928 20 5 FFBDRO C[C@@H]1[C@H](C)N(C(=O)c2ccc(Br)cc2[N+](=O)[O-])[C@@H](C)C[N@@H+]1C ZINC000593188302 520811333 /nfs/dbraw/zinc/81/13/33/520811333.db2.gz BXNMYMAESILWCW-AXFHLTTASA-N 1 0 370.247 2.910 20 5 FFBDRO C[C@@H]1[C@H](C)N(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)[C@@H](C)C[N@@H+]1C ZINC000593189608 520812552 /nfs/dbraw/zinc/81/25/52/520812552.db2.gz VOMSYWOUBLPUJM-AXFHLTTASA-N 1 0 357.357 2.749 20 5 FFBDRO COc1cc(CN(C)[C@@H](C[NH3+])C(F)(F)F)c([N+](=O)[O-])cc1OC(F)F ZINC000595909852 520815291 /nfs/dbraw/zinc/81/52/91/520815291.db2.gz TWFPMIIACLTDFR-NSHDSACASA-N 1 0 373.278 2.526 20 5 FFBDRO O=C(NCC12CC(C1)C[NH2+]2)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000595945548 520835955 /nfs/dbraw/zinc/83/59/55/520835955.db2.gz GBWWMSQONIBGFO-UHFFFAOYSA-N 1 0 366.421 2.689 20 5 FFBDRO C[C@@H]1CCCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)[C@@H]1CCC[NH3+] ZINC000595973983 520844147 /nfs/dbraw/zinc/84/41/47/520844147.db2.gz SIPMYHJIRZYZSP-SJKOYZFVSA-N 1 0 372.425 2.828 20 5 FFBDRO C[C@H](NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)C1CC[NH+](C)CC1 ZINC000610880440 520889737 /nfs/dbraw/zinc/88/97/37/520889737.db2.gz RRLGRBQAPPQDLJ-AWEZNQCLSA-N 1 0 360.458 2.999 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1N1CC[C@H](OCC[NH+]3CCCCC3)C1)CCN2 ZINC000618156485 520908084 /nfs/dbraw/zinc/90/80/84/520908084.db2.gz SCHWFZQXJCTMOJ-HNNXBMFYSA-N 1 0 360.458 2.644 20 5 FFBDRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2C(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000598913261 520913770 /nfs/dbraw/zinc/91/37/70/520913770.db2.gz HAQFPKRDWUADOB-RLCCDNCMSA-N 1 0 366.393 2.627 20 5 FFBDRO O=c1[nH]ccc(NCC2([NH+]3CCSCC3)CCCCC2)c1[N+](=O)[O-] ZINC000596124931 520927272 /nfs/dbraw/zinc/92/72/72/520927272.db2.gz JISHTTXBEWZUGY-UHFFFAOYSA-N 1 0 352.460 2.859 20 5 FFBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000596176211 520954224 /nfs/dbraw/zinc/95/42/24/520954224.db2.gz BBYSXHJNSPSKBM-CABCVRRESA-N 1 0 368.437 2.793 20 5 FFBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000598978004 520956288 /nfs/dbraw/zinc/95/62/88/520956288.db2.gz GHFIVRBBSDTCIW-JTQLQIEISA-N 1 0 356.220 2.571 20 5 FFBDRO COc1cc(C[NH2+][C@H]2C[C@H](OC)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000599014848 520980867 /nfs/dbraw/zinc/98/08/67/520980867.db2.gz HTWVRENJHOJXKQ-XYPYZODXSA-N 1 0 364.320 2.812 20 5 FFBDRO C[NH+]1CCC(Oc2ccc(CNc3cc[nH]c(=O)c3[N+](=O)[O-])cc2)CC1 ZINC000596226411 520981350 /nfs/dbraw/zinc/98/13/50/520981350.db2.gz OSEVWUWXASAROT-UHFFFAOYSA-N 1 0 358.398 2.781 20 5 FFBDRO O=c1[nH]ccc(N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1[N+](=O)[O-] ZINC000596231183 520985051 /nfs/dbraw/zinc/98/50/51/520985051.db2.gz HBFVQBJEOYLURB-IBGZPJMESA-N 1 0 354.410 2.798 20 5 FFBDRO Cn1c(Sc2ccc3cnccc3c2[N+](=O)[O-])nnc1[C@@H]1CCC[NH2+]C1 ZINC000599048457 520999707 /nfs/dbraw/zinc/99/97/07/520999707.db2.gz KAGLKQNRNFNPCO-GFCCVEGCSA-N 1 0 370.438 2.890 20 5 FFBDRO Cc1cc(N[C@@H](C)C2CC[NH+](C)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000611132485 521002370 /nfs/dbraw/zinc/00/23/70/521002370.db2.gz VEQHIHDVDLOZFE-AWEZNQCLSA-N 1 0 355.442 2.924 20 5 FFBDRO Cn1ccnc1[C@H](NC[C@@H]1CCCC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000599070065 521014815 /nfs/dbraw/zinc/01/48/15/521014815.db2.gz JWYAVICKUCSCLR-MAUKXSAKSA-N 1 0 357.458 2.739 20 5 FFBDRO O=[N+]([O-])c1ccc2nc(NCC3CC[NH+](C4CCOCC4)CC3)ccc2c1 ZINC000596314648 521022849 /nfs/dbraw/zinc/02/28/49/521022849.db2.gz KKJOOUJHBKSUTH-UHFFFAOYSA-N 1 0 370.453 2.868 20 5 FFBDRO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000593545679 521065426 /nfs/dbraw/zinc/06/54/26/521065426.db2.gz XTIAQGGUOUQGOT-YOEHRIQHSA-N 1 0 361.417 2.752 20 5 FFBDRO CCC1([NH+]2CCOCC2)CCN(c2c(Cl)cncc2[N+](=O)[O-])CC1 ZINC000599183116 521076068 /nfs/dbraw/zinc/07/60/68/521076068.db2.gz HEGUPLSOHAQDEM-UHFFFAOYSA-N 1 0 354.838 2.724 20 5 FFBDRO CCC1([NH+]2CCOCC2)CCN(c2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000599183793 521076832 /nfs/dbraw/zinc/07/68/32/521076832.db2.gz VARQGDPUXMTANV-UHFFFAOYSA-N 1 0 371.441 2.619 20 5 FFBDRO O=C1[C@H]([N@@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000611350384 521112730 /nfs/dbraw/zinc/11/27/30/521112730.db2.gz KQLVVGCOSPGTFH-FRQCXROJSA-N 1 0 373.453 2.839 20 5 FFBDRO CC(C)C[N@H+](C)CCCN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000593647370 521129959 /nfs/dbraw/zinc/12/99/59/521129959.db2.gz YOHJCAHMCWTMIW-GOSISDBHSA-N 1 0 359.474 2.985 20 5 FFBDRO Cn1nc(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c2ccccc21 ZINC000618575541 521130815 /nfs/dbraw/zinc/13/08/15/521130815.db2.gz PDTGOBHFXKVBNO-YOEHRIQHSA-N 1 0 354.414 2.952 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2SC)cc1[N+](=O)[O-] ZINC000593654827 521133939 /nfs/dbraw/zinc/13/39/39/521133939.db2.gz VYTNFRMUQMEVQF-CZUORRHYSA-N 1 0 368.455 2.910 20 5 FFBDRO O=C(N[C@H]1C[C@@H]([NH+]2CCCC2)C1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000602167286 521182649 /nfs/dbraw/zinc/18/26/49/521182649.db2.gz NAFPFLLVUSDNBF-KLPPZKSPSA-N 1 0 357.332 2.970 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000611522441 521202187 /nfs/dbraw/zinc/20/21/87/521202187.db2.gz QTVOBPFXMHUMSA-HNNXBMFYSA-N 1 0 358.398 2.708 20 5 FFBDRO O=[N+]([O-])c1ccc(OCCC[NH+]2CCC(Oc3cnccn3)CC2)cc1 ZINC000618762641 521219022 /nfs/dbraw/zinc/21/90/22/521219022.db2.gz KBAHAIZTHUJTBU-UHFFFAOYSA-N 1 0 358.398 2.697 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000599463105 521240851 /nfs/dbraw/zinc/24/08/51/521240851.db2.gz BXOVMHTULYNHJP-OAHLLOKOSA-N 1 0 367.471 2.507 20 5 FFBDRO O=C(NC1CC1)c1ccc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000618821815 521251611 /nfs/dbraw/zinc/25/16/11/521251611.db2.gz MDYUJGPCQIKSKZ-UHFFFAOYSA-N 1 0 369.425 2.521 20 5 FFBDRO O=[N+]([O-])c1ccc2ncnc(NCC3([NH+]4CCSCC4)CCCC3)c2c1 ZINC000611702728 521288125 /nfs/dbraw/zinc/28/81/25/521288125.db2.gz XKMHKGPQCZGYFQ-UHFFFAOYSA-N 1 0 373.482 2.733 20 5 FFBDRO C[C@H]1CCCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])[C@H]1CC[NH3+] ZINC000593917399 521290955 /nfs/dbraw/zinc/29/09/55/521290955.db2.gz VNDDNOHVKJBKPU-JSGCOSHPSA-N 1 0 369.849 2.993 20 5 FFBDRO C[C@@H]1CCCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1CC[NH3+] ZINC000593917401 521291174 /nfs/dbraw/zinc/29/11/74/521291174.db2.gz VNDDNOHVKJBKPU-TZMCWYRMSA-N 1 0 369.849 2.993 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@@H](c2ccccn2)C2CCC2)c1 ZINC000599569134 521304236 /nfs/dbraw/zinc/30/42/36/521304236.db2.gz LHNJNLVIXDWIPH-QFBILLFUSA-N 1 0 357.410 2.861 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000596836389 521321289 /nfs/dbraw/zinc/32/12/89/521321289.db2.gz IOTPNYSLVBZUIR-OAHLLOKOSA-N 1 0 362.430 2.586 20 5 FFBDRO O=C(NCCC[C@H]1CCC[NH2+]1)c1c(Br)cccc1[N+](=O)[O-] ZINC000602497489 521380759 /nfs/dbraw/zinc/38/07/59/521380759.db2.gz VFBDJHGSZWJXRV-SNVBAGLBSA-N 1 0 356.220 2.619 20 5 FFBDRO Cc1cc(N2CCO[C@H](C(=O)OC(C)(C)C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000611928157 521397638 /nfs/dbraw/zinc/39/76/38/521397638.db2.gz MZVUPDZNRUFCBK-KRWDZBQOSA-N 1 0 373.409 2.998 20 5 FFBDRO Cc1sc(C(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000602538238 521400073 /nfs/dbraw/zinc/40/00/73/521400073.db2.gz BKYKIFIFXGVFFE-DTWKUNHWSA-N 1 0 351.350 2.564 20 5 FFBDRO Cc1ccn2cc(C[NH2+]C3CCN(c4ccc([N+](=O)[O-])nc4)CC3)nc2c1 ZINC000602551703 521407747 /nfs/dbraw/zinc/40/77/47/521407747.db2.gz QBWCBCVKKVZVIC-UHFFFAOYSA-N 1 0 366.425 2.705 20 5 FFBDRO CC(C)CC[C@@](C)(O)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602554466 521409208 /nfs/dbraw/zinc/40/92/08/521409208.db2.gz AOBIXUSWWZWKAE-GOSISDBHSA-N 1 0 350.463 2.735 20 5 FFBDRO COc1ccc(CSCC(=O)N2CCCCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000602577657 521419196 /nfs/dbraw/zinc/41/91/96/521419196.db2.gz IDKVRNNGXMTYTA-AWEZNQCLSA-N 1 0 367.471 2.567 20 5 FFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCc1cccc2c1CC[NH2+]C2 ZINC000602584398 521425373 /nfs/dbraw/zinc/42/53/73/521425373.db2.gz ARJPUCQBIKDRKA-UHFFFAOYSA-N 1 0 359.813 2.753 20 5 FFBDRO CCC[N@H+](Cc1cn(C)nc1[N+](=O)[O-])[C@H](C)CC(=O)Nc1ccccc1 ZINC000602654525 521461805 /nfs/dbraw/zinc/46/18/05/521461805.db2.gz VEOFWPDDOUCNPM-CQSZACIVSA-N 1 0 359.430 2.958 20 5 FFBDRO Nc1c(NC(=O)NCC2CC[NH+](C3CC3)CC2)cc(Cl)cc1[N+](=O)[O-] ZINC000597097563 521502964 /nfs/dbraw/zinc/50/29/64/521502964.db2.gz NWFLQLSBMMZWMD-UHFFFAOYSA-N 1 0 367.837 2.826 20 5 FFBDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597097208 521503495 /nfs/dbraw/zinc/50/34/95/521503495.db2.gz DTNWBHOUPCWYJI-SNVBAGLBSA-N 1 0 355.826 2.636 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CCN1CC[N@@H+](Cc2ccccc2)CC[C@@H]1C ZINC000602784134 521529126 /nfs/dbraw/zinc/52/91/26/521529126.db2.gz QCBMQMHUSBAUSY-INIZCTEOSA-N 1 0 357.458 2.696 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000602804953 521542443 /nfs/dbraw/zinc/54/24/43/521542443.db2.gz IFMAEPZTGSPVHA-CYBMUJFWSA-N 1 0 357.414 2.577 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](c1cccs1)C1(CO)CCC1 ZINC000602837574 521561948 /nfs/dbraw/zinc/56/19/48/521561948.db2.gz OXWUBFLUUIJYPG-OAHLLOKOSA-N 1 0 350.444 2.655 20 5 FFBDRO C[NH+](C)C[C@H]1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000612291171 521563707 /nfs/dbraw/zinc/56/37/07/521563707.db2.gz YHMZFLOBRVLSBU-LLVKDONJSA-N 1 0 357.863 2.750 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@](C)(CO)c1cc(Cl)cc(Cl)c1 ZINC000602841154 521564596 /nfs/dbraw/zinc/56/45/96/521564596.db2.gz QWZYYVDVKPPBRD-OAHLLOKOSA-N 1 0 373.240 2.904 20 5 FFBDRO O=C1CC[C@@H]2C[N@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)CC[C@@H]2N1 ZINC000597204842 521572814 /nfs/dbraw/zinc/57/28/14/521572814.db2.gz GGAOTVBBYQQQIC-PBHICJAKSA-N 1 0 355.394 2.955 20 5 FFBDRO Nc1cc(NC[C@H]2CC[N@H+](CCc3ccccc3)C2)cc(CO)c1[N+](=O)[O-] ZINC000619570507 521774603 /nfs/dbraw/zinc/77/46/03/521774603.db2.gz LIPOJXBUXCBEOY-MRXNPFEDSA-N 1 0 370.453 2.646 20 5 FFBDRO C[NH+](C)C1CCN(C(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])CC1 ZINC000619582342 521782154 /nfs/dbraw/zinc/78/21/54/521782154.db2.gz YTKXUPHHWDMVGY-UHFFFAOYSA-N 1 0 354.410 2.823 20 5 FFBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cccc(NS(C)(=O)=O)c1 ZINC000619846242 521901457 /nfs/dbraw/zinc/90/14/57/521901457.db2.gz WAQKGWWIRGVHIT-UHFFFAOYSA-N 1 0 363.439 2.641 20 5 FFBDRO CC(C)C[N@@H+]1CCC[C@H](CNc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC000820092427 607467301 /nfs/dbraw/zinc/46/73/01/607467301.db2.gz LPIAAYNYARXREY-CYBMUJFWSA-N 1 0 359.434 2.555 20 5 FFBDRO C[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1cccc(-c2nn[nH]n2)c1 ZINC000824600166 608488217 /nfs/dbraw/zinc/48/82/17/608488217.db2.gz WXBATRFAOWNURC-LBPRGKRZSA-N 1 0 354.370 2.505 20 5 FFBDRO Cc1ccc([C@@H](C)[NH2+]CCOc2cccc(-c3nn[nH]n3)c2)cc1[N+](=O)[O-] ZINC000826283255 608554034 /nfs/dbraw/zinc/55/40/34/608554034.db2.gz NMUFKISHOCKCCA-CYBMUJFWSA-N 1 0 368.397 2.813 20 5 FFBDRO C[C@@H]([NH2+]CCOc1ccccc1-c1nn[nH]n1)c1ccccc1[N+](=O)[O-] ZINC000824599753 608563956 /nfs/dbraw/zinc/56/39/56/608563956.db2.gz RTAOCPWOEMNAKH-GFCCVEGCSA-N 1 0 354.370 2.505 20 5 FFBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824605296 609141127 /nfs/dbraw/zinc/14/11/27/609141127.db2.gz HJLCZWBEXDJZPG-NSHDSACASA-N 1 0 356.361 2.807 20 5 FFBDRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC001164728756 720519813 /nfs/dbraw/zinc/51/98/13/720519813.db2.gz LCEAQZITFGOUMO-AWEZNQCLSA-N 1 0 366.425 2.538 20 5 FFBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000159135482 728901307 /nfs/dbraw/zinc/90/13/07/728901307.db2.gz LMGKDPFNPYCSCJ-JTQLQIEISA-N 1 0 356.220 2.524 20 5 FFBDRO COc1cc(C[NH2+]CCOC2CCSCC2)c([N+](=O)[O-])cc1OC ZINC000898442524 735361603 /nfs/dbraw/zinc/36/16/03/735361603.db2.gz OWZZSOQJUAZLID-UHFFFAOYSA-N 1 0 356.444 2.614 20 5 FFBDRO O=C(C[N@@H+](CCO)C1CCCCC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000071079828 728207839 /nfs/dbraw/zinc/20/78/39/728207839.db2.gz NRWWJGLQDCQBTM-UHFFFAOYSA-N 1 0 355.822 2.814 20 5 FFBDRO O=[N+]([O-])c1ccc(NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c(Br)c1 ZINC000091672573 728460936 /nfs/dbraw/zinc/46/09/36/728460936.db2.gz BMPJQSJHTCPVEQ-VXGBXAGGSA-N 1 0 356.220 2.632 20 5 FFBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(S(N)(=O)=O)cc2)cc1[N+](=O)[O-] ZINC000121516685 728629664 /nfs/dbraw/zinc/62/96/64/728629664.db2.gz YIXQLTYVQKEJOA-OLZOCXBDSA-N 1 0 363.439 2.962 20 5 FFBDRO C[NH+](C)[C@@H](CNC(=O)NCCc1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000126379210 728700521 /nfs/dbraw/zinc/70/05/21/728700521.db2.gz DKNBEMAODYBJJG-HNNXBMFYSA-N 1 0 362.455 2.801 20 5 FFBDRO COc1cc(C[NH2+][C@@H](C)C[C@@H](O)c2ccco2)c([N+](=O)[O-])cc1OC ZINC000130552121 728719401 /nfs/dbraw/zinc/71/94/01/728719401.db2.gz VRMMITFOOFJLAL-SMDDNHRTSA-N 1 0 350.371 2.807 20 5 FFBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000132293820 728724155 /nfs/dbraw/zinc/72/41/55/728724155.db2.gz RJNXTDVWCFVMIJ-UHFFFAOYSA-N 1 0 373.450 2.584 20 5 FFBDRO CCCN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC000165886509 728974857 /nfs/dbraw/zinc/97/48/57/728974857.db2.gz GEJNXVDUSTWJOL-LBPRGKRZSA-N 1 0 356.220 2.571 20 5 FFBDRO C[NH2+]CCC1CCN([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000262000539 729657302 /nfs/dbraw/zinc/65/73/02/729657302.db2.gz PPTIKHUZDYGRRV-LBPRGKRZSA-N 1 0 368.865 2.897 20 5 FFBDRO CCN(C(=O)c1cccc([N+](=O)[O-])c1Br)[C@H]1CC[N@H+](C)C1 ZINC000857305353 730390229 /nfs/dbraw/zinc/39/02/29/730390229.db2.gz DIXAELGAPWHHAB-JTQLQIEISA-N 1 0 356.220 2.524 20 5 FFBDRO C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)OCCC[N+](=O)[O-] ZINC000860918543 730559298 /nfs/dbraw/zinc/55/92/98/730559298.db2.gz MDHKALIYAJOUQL-HNNXBMFYSA-N 1 0 350.415 2.763 20 5 FFBDRO C[C@]12C[NH2+]C[C@@]1(C)CN(Cc1ccc(Br)c([N+](=O)[O-])c1)C2 ZINC000863560678 730790551 /nfs/dbraw/zinc/79/05/51/730790551.db2.gz OEOYFQZRRACGJO-GASCZTMLSA-N 1 0 354.248 2.789 20 5 FFBDRO O=[N+]([O-])c1ccc(Cl)c(CN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000863574895 730791725 /nfs/dbraw/zinc/79/17/25/730791725.db2.gz KOYSIGQZYJUMPS-MRXNPFEDSA-N 1 0 353.850 2.839 20 5 FFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC(C)(C)[C@]1(O)CCCOC1 ZINC000866391190 731054622 /nfs/dbraw/zinc/05/46/22/731054622.db2.gz CBQIAQZJNPGBPF-UGSOOPFHSA-N 1 0 354.422 2.822 20 5 FFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C1CCN([C@@H]2CCOC2)CC1 ZINC000866393737 731054633 /nfs/dbraw/zinc/05/46/33/731054633.db2.gz QESMVWSQBXULHW-SUMWQHHRSA-N 1 0 351.422 2.508 20 5 FFBDRO C[C@@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000868005739 731250714 /nfs/dbraw/zinc/25/07/14/731250714.db2.gz WQUNGIDKNAXNHZ-MNOVXSKESA-N 1 0 355.822 2.520 20 5 FFBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000868036000 731253504 /nfs/dbraw/zinc/25/35/04/731253504.db2.gz YQEUIQUGBSWAID-IINYFYTJSA-N 1 0 355.797 2.530 20 5 FFBDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000868446326 731292836 /nfs/dbraw/zinc/29/28/36/731292836.db2.gz YEBCHJHPKVUUBA-LLVKDONJSA-N 1 0 372.263 2.745 20 5 FFBDRO CCC1([NH+](C)C)CCN(C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CC1 ZINC000870573776 731528072 /nfs/dbraw/zinc/52/80/72/731528072.db2.gz QWKKZGQULQWYSJ-UHFFFAOYSA-N 1 0 363.443 2.546 20 5 FFBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC1(OCCO)CCOCC1 ZINC000872070662 731726330 /nfs/dbraw/zinc/72/63/30/731726330.db2.gz WAZRJBYDIKAGNX-ZDUSSCGKSA-N 1 0 370.471 2.525 20 5 FFBDRO Cc1c(C[NH2+]CCn2cc(Br)ccc2=O)cccc1[N+](=O)[O-] ZINC000873128708 731878070 /nfs/dbraw/zinc/87/80/70/731878070.db2.gz AMSCIIZOOKUKJJ-UHFFFAOYSA-N 1 0 366.215 2.617 20 5 FFBDRO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000926075307 738565221 /nfs/dbraw/zinc/56/52/21/738565221.db2.gz AMNORJMRMDWIBE-NXEZZACHSA-N 1 0 371.235 2.724 20 5 FFBDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000874828669 732104557 /nfs/dbraw/zinc/10/45/57/732104557.db2.gz YDWCAOHAGXAPES-UONOGXRCSA-N 1 0 357.332 2.922 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000877355753 732348766 /nfs/dbraw/zinc/34/87/66/732348766.db2.gz BODAARBPIYLINO-VXGBXAGGSA-N 1 0 359.348 2.729 20 5 FFBDRO C[C@](O)(C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)c1ccccc1Cl ZINC000877374267 732354900 /nfs/dbraw/zinc/35/49/00/732354900.db2.gz CYJYCPOVQTWREP-PPUFBPAQSA-N 1 0 350.806 2.646 20 5 FFBDRO CN(Cc1ccccc1[N+](=O)[O-])C[C@H](O)c1cc(Br)no1 ZINC000877917520 732451714 /nfs/dbraw/zinc/45/17/14/732451714.db2.gz WOQWUMQAJJSVNV-NSHDSACASA-N 1 0 356.176 2.511 20 5 FFBDRO C[N@@H+]1CCN(Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C(C)(C)C1 ZINC000878329118 732515248 /nfs/dbraw/zinc/51/52/48/732515248.db2.gz SYQUXHCOGGGVHY-UHFFFAOYSA-N 1 0 365.821 2.824 20 5 FFBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000878336205 732516094 /nfs/dbraw/zinc/51/60/94/732516094.db2.gz UXEIFBFBNYIOGV-WDEREUQCSA-N 1 0 365.821 2.823 20 5 FFBDRO C[C@@]12COC[C@@H]1C[N@H+](Cc1nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o1)C2 ZINC000878949129 732620444 /nfs/dbraw/zinc/62/04/44/732620444.db2.gz IXLUSQSQGCQURP-MGPLVRAMSA-N 1 0 364.789 2.767 20 5 FFBDRO CC(C)([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@H]1CCCCO1 ZINC000879407255 732697823 /nfs/dbraw/zinc/69/78/23/732697823.db2.gz XTNQODMGDPPQMF-OAHLLOKOSA-N 1 0 353.394 3.000 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000879561704 732723562 /nfs/dbraw/zinc/72/35/62/732723562.db2.gz SLWYFZSPQIARIF-CHWSQXEVSA-N 1 0 365.455 2.617 20 5 FFBDRO O=C(CC[N@@H+]1CC[C@@H]2CSC[C@H]2C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000879566783 732724845 /nfs/dbraw/zinc/72/48/45/732724845.db2.gz YGUVBIMCLFDJEP-VXGBXAGGSA-N 1 0 353.419 2.747 20 5 FFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879574816 732727267 /nfs/dbraw/zinc/72/72/67/732727267.db2.gz GUKFXXPCEYUUOS-HSMVNMDESA-N 1 0 366.849 2.601 20 5 FFBDRO O=C1CC2(CCC2)N(Cc2cccc([N+](=O)[O-])c2Br)CCN1 ZINC000880166530 732858602 /nfs/dbraw/zinc/85/86/02/732858602.db2.gz ASPSRUCOTJFROS-UHFFFAOYSA-N 1 0 368.231 2.602 20 5 FFBDRO O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCCN(c2cc[nH+]cc2)CC1 ZINC000880385176 732900109 /nfs/dbraw/zinc/90/01/09/732900109.db2.gz JAVAXINLUCOWEE-UHFFFAOYSA-N 1 0 360.801 2.996 20 5 FFBDRO CC[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000880469246 732912022 /nfs/dbraw/zinc/91/20/22/732912022.db2.gz UOWIZCUNXONZEV-WCQYABFASA-N 1 0 355.822 2.982 20 5 FFBDRO NC(=O)C1([NH+]2CCCCC2)CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000882814002 733298019 /nfs/dbraw/zinc/29/80/19/733298019.db2.gz AKOIHPGQYIZGMH-UHFFFAOYSA-N 1 0 366.849 2.558 20 5 FFBDRO C[C@@H](Cc1cnccn1)[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000883295355 733361568 /nfs/dbraw/zinc/36/15/68/733361568.db2.gz GCROGLVTBMXXHM-JTQLQIEISA-N 1 0 351.204 2.868 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2nc(-c3cn([C@H]4CCC[NH2+]C4)nn3)cs2)cc1 ZINC000887404161 733922828 /nfs/dbraw/zinc/92/28/28/733922828.db2.gz XMVBCFMXBSFFCB-ZDUSSCGKSA-N 1 0 356.411 2.901 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2nc(-c3cn([C@@H]4CCC[NH2+]C4)nn3)cs2)c1 ZINC000887407600 733924648 /nfs/dbraw/zinc/92/46/48/733924648.db2.gz JYZCJXXQLFGKLR-CYBMUJFWSA-N 1 0 356.411 2.901 20 5 FFBDRO C[NH+](C)CCCn1cc(-c2csc(-c3cccc([N+](=O)[O-])c3)n2)nn1 ZINC000887407973 733924744 /nfs/dbraw/zinc/92/47/44/733924744.db2.gz ZPBFZAGIELGTTK-UHFFFAOYSA-N 1 0 358.427 2.929 20 5 FFBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891757349 734472359 /nfs/dbraw/zinc/47/23/59/734472359.db2.gz IKBYOEQGVWMJSP-SHHSBJBSSA-N 1 0 366.849 2.621 20 5 FFBDRO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000733157716 734794493 /nfs/dbraw/zinc/79/44/93/734794493.db2.gz CXOZSFLEWNGRBP-AWEZNQCLSA-N 1 0 367.833 2.621 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]Cc2ccc(Br)cn2)cc1 ZINC000733798296 734849107 /nfs/dbraw/zinc/84/91/07/734849107.db2.gz OIOJUADPIAZGRP-AWEZNQCLSA-N 1 0 352.188 2.576 20 5 FFBDRO COc1c(O)ccc(CN(CC[NH+](C)C)Cc2ccsc2)c1[N+](=O)[O-] ZINC000894864481 734929775 /nfs/dbraw/zinc/92/97/75/734929775.db2.gz PDFXCADWNRMHDF-UHFFFAOYSA-N 1 0 365.455 2.934 20 5 FFBDRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000895276574 734985755 /nfs/dbraw/zinc/98/57/55/734985755.db2.gz XFXXYVLXWGYKAK-GFCCVEGCSA-N 1 0 360.801 2.994 20 5 FFBDRO C[NH+](C)CC(C)(C)CNC(=S)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000739437809 735051660 /nfs/dbraw/zinc/05/16/60/735051660.db2.gz RUQVGMRQXAUXCQ-UHFFFAOYSA-N 1 0 366.531 2.969 20 5 FFBDRO CC[C@@H](C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2)[NH+](CC)CC ZINC000741034119 735112349 /nfs/dbraw/zinc/11/23/49/735112349.db2.gz XVSQWQQTHXMDGU-HNNXBMFYSA-N 1 0 352.387 2.625 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c(C(F)(F)F)c1 ZINC000742255150 735215161 /nfs/dbraw/zinc/21/51/61/735215161.db2.gz QAOCOTJQBPXWKR-CABCVRRESA-N 1 0 359.348 2.649 20 5 FFBDRO COc1cc([C@H](C)[NH2+]CC2(C3(O)CCOCC3)CC2)cc([N+](=O)[O-])c1 ZINC000903223718 736059121 /nfs/dbraw/zinc/05/91/21/736059121.db2.gz JTQPWRNLJSYBIM-ZDUSSCGKSA-N 1 0 350.415 2.576 20 5 FFBDRO CC[N@@H+]1CCC[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 ZINC000754999857 736224643 /nfs/dbraw/zinc/22/46/43/736224643.db2.gz ZOKLAYDSTZVMBV-JTQLQIEISA-N 1 0 374.210 2.711 20 5 FFBDRO CSC1CCC(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000905508747 736348522 /nfs/dbraw/zinc/34/85/22/736348522.db2.gz KLUAFIZRRKZOBX-SHARSMKWSA-N 1 0 354.472 2.846 20 5 FFBDRO O=C(CC[NH2+]C[C@@H]1CC[C@@H](C(F)(F)F)O1)Nc1ccccc1[N+](=O)[O-] ZINC000905515765 736349573 /nfs/dbraw/zinc/34/95/73/736349573.db2.gz HFQLIYODBULQBA-GWCFXTLKSA-N 1 0 361.320 2.623 20 5 FFBDRO C[NH+](C)[C@H](CNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2)c1ccsc1 ZINC000761875479 736767900 /nfs/dbraw/zinc/76/79/00/736767900.db2.gz LYRCDYNZOPPMAC-CQSZACIVSA-N 1 0 362.411 2.702 20 5 FFBDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3cc(Cl)c(F)c([N+](=O)[O-])c3)C2)C1 ZINC000908422516 736773994 /nfs/dbraw/zinc/77/39/94/736773994.db2.gz OOEDUVBFFHUTKE-MRXNPFEDSA-N 1 0 355.797 2.945 20 5 FFBDRO CC[NH+](CC)CCN(CCOC)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000764232970 737003601 /nfs/dbraw/zinc/00/36/01/737003601.db2.gz LAXCCCWPNSNKLI-UHFFFAOYSA-N 1 0 357.838 2.679 20 5 FFBDRO CC[N@@H+]1C[C@H](C)N(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C[C@H]1C ZINC000766253167 737212524 /nfs/dbraw/zinc/21/25/24/737212524.db2.gz JATYXDAGLZYRPN-NEPJUHHUSA-N 1 0 354.838 2.601 20 5 FFBDRO C[NH2+]CCCCC(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000912101600 737265515 /nfs/dbraw/zinc/26/55/15/737265515.db2.gz FOJJDFCXZGVAGU-UHFFFAOYSA-N 1 0 362.352 2.531 20 5 FFBDRO CC(C)(C)OC(=O)[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000766950819 737278826 /nfs/dbraw/zinc/27/88/26/737278826.db2.gz RFGKUNGYFOUJEF-GDBMZVCRSA-N 1 0 350.415 2.682 20 5 FFBDRO O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC([NH+]2CCC2)CC1 ZINC000912875988 737352210 /nfs/dbraw/zinc/35/22/10/737352210.db2.gz WGRIYZLVTYNZTI-UHFFFAOYSA-N 1 0 355.341 2.507 20 5 FFBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(C(=O)OC)C2)cc1[N+](=O)[O-] ZINC000768100924 737397648 /nfs/dbraw/zinc/39/76/48/737397648.db2.gz GCCFGXFNHAXKBF-TZMCWYRMSA-N 1 0 351.403 2.875 20 5 FFBDRO C[C@H](NC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12)c1cccc([N+](=O)[O-])c1 ZINC000914240141 737536552 /nfs/dbraw/zinc/53/65/52/737536552.db2.gz ZMEQQCZUFHMMIA-MAZHCROVSA-N 1 0 364.471 2.535 20 5 FFBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC000769802959 737568369 /nfs/dbraw/zinc/56/83/69/737568369.db2.gz XJANLXFJBJVWNM-WBVHZDCISA-N 1 0 353.850 2.981 20 5 FFBDRO CC[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[C@@H](O)C(F)(F)F ZINC000773129376 737874037 /nfs/dbraw/zinc/87/40/37/737874037.db2.gz FNEISLJYWXSLBG-LSDHHAIUSA-N 1 0 361.364 2.855 20 5 FFBDRO COC[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)c(F)c1 ZINC000775385209 738089601 /nfs/dbraw/zinc/08/96/01/738089601.db2.gz JWKKXXOWYTWXMW-DLBZAZTESA-N 1 0 352.337 2.884 20 5 FFBDRO COC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000775816440 738128782 /nfs/dbraw/zinc/12/87/82/738128782.db2.gz UWMPAXNZBURDLE-JSGCOSHPSA-N 1 0 351.403 2.560 20 5 FFBDRO COC(=O)N1CCC([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000776810205 738235216 /nfs/dbraw/zinc/23/52/16/738235216.db2.gz YAQFZHOOGRKYMB-GFCCVEGCSA-N 1 0 351.403 2.560 20 5 FFBDRO C[NH+]1CCC(n2ccc(NC(=O)c3cccc(Cl)c3[N+](=O)[O-])n2)CC1 ZINC000786202745 739033776 /nfs/dbraw/zinc/03/37/76/739033776.db2.gz OWGWCPDMTCNCFL-UHFFFAOYSA-N 1 0 363.805 2.964 20 5 FFBDRO Nc1c(C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cc(Cl)c(F)c1[N+](=O)[O-] ZINC000931186300 739224509 /nfs/dbraw/zinc/22/45/09/739224509.db2.gz UGFFHWREMKKRPO-SNVBAGLBSA-N 1 0 370.812 2.670 20 5 FFBDRO O=[N+]([O-])c1cc(CN2CCC([N@@H+]3CCCOCC3)CC2)ccc1Cl ZINC000931287518 739238803 /nfs/dbraw/zinc/23/88/03/739238803.db2.gz ZOWZGAWMNXNCPD-UHFFFAOYSA-N 1 0 353.850 2.935 20 5 FFBDRO CCN(CCC[NH+](CC)CC)C(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000788539493 739256093 /nfs/dbraw/zinc/25/60/93/739256093.db2.gz PXJFXSQSHZSYAM-UHFFFAOYSA-N 1 0 350.463 2.855 20 5 FFBDRO C[C@@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788603590 739262892 /nfs/dbraw/zinc/26/28/92/739262892.db2.gz FHTOPLAKJRJLDK-YPMHNXCESA-N 1 0 350.419 2.837 20 5 FFBDRO COC[C@@H]([NH2+]Cc1c(Br)cccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000931754719 739324330 /nfs/dbraw/zinc/32/43/30/739324330.db2.gz KZYMXCQQUNODFY-BXUZGUMPSA-N 1 0 373.247 2.889 20 5 FFBDRO O=[N+]([O-])c1cccc(Br)c1C[N@@H+]1CC[C@H](C2OCCO2)C1 ZINC000931997726 739368772 /nfs/dbraw/zinc/36/87/72/739368772.db2.gz BRUWFMOTSVSXQM-JTQLQIEISA-N 1 0 357.204 2.552 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000790269594 739431126 /nfs/dbraw/zinc/43/11/26/739431126.db2.gz BTSTVIGNUDKCGJ-ABAIWWIYSA-N 1 0 367.833 2.955 20 5 FFBDRO CN(C(=O)CCc1c(Cl)cccc1[N+](=O)[O-])[C@H]1C[NH+]2CCC1CC2 ZINC000932538883 739466915 /nfs/dbraw/zinc/46/69/15/739466915.db2.gz KRCZFEUXOZTIEE-INIZCTEOSA-N 1 0 351.834 2.733 20 5 FFBDRO CC(C)C[C@H]1C[N@H+](C)CCN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000933247731 739588416 /nfs/dbraw/zinc/58/84/16/739588416.db2.gz IPCFSOKFCJTWSM-AWEZNQCLSA-N 1 0 368.865 2.849 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)CCc2cc(F)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000933368815 739611266 /nfs/dbraw/zinc/61/12/66/739611266.db2.gz LFUONBXSXPSPMP-XJKSGUPXSA-N 1 0 351.422 2.998 20 5 FFBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cc(Cl)c(F)c([N+](=O)[O-])c3N)CC[C@@H]21 ZINC000934892539 739862487 /nfs/dbraw/zinc/86/24/87/739862487.db2.gz XVMLUSMOGMKLCE-CABZTGNLSA-N 1 0 370.812 2.526 20 5 FFBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000794270414 739869566 /nfs/dbraw/zinc/86/95/66/739869566.db2.gz FGAVHPLGXMXQMY-JTQLQIEISA-N 1 0 373.251 2.603 20 5 FFBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)C1 ZINC000934951149 739870872 /nfs/dbraw/zinc/87/08/72/739870872.db2.gz NNUXRNIYRCPGHQ-BXKDBHETSA-N 1 0 370.812 2.526 20 5 FFBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000935656839 739989696 /nfs/dbraw/zinc/98/96/96/739989696.db2.gz LDGNYNBYBRDOBX-ZDUSSCGKSA-N 1 0 367.471 2.547 20 5 FFBDRO C[C@H](CO)[N@@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)CC1CCC1 ZINC000796549328 740152717 /nfs/dbraw/zinc/15/27/17/740152717.db2.gz WQOLZXAMOWNMSA-LLVKDONJSA-N 1 0 355.822 2.670 20 5 FFBDRO O=C(NC1CC2(C1)CC([NH2+]Cc1ccc(Cl)s1)C2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000963786478 740655711 /nfs/dbraw/zinc/65/57/11/740655711.db2.gz DSMSETLWTOZBDW-ICJZLJJZSA-N 1 0 369.874 2.584 20 5 FFBDRO C[N@H+](Cc1ccc(F)c(Cl)c1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985432341 741395327 /nfs/dbraw/zinc/39/53/27/741395327.db2.gz ZSZILJHEAJCOLD-CZUORRHYSA-N 1 0 369.824 2.567 20 5 FFBDRO CC(C)[N@H+](C)C[C@H](C)Nc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000811848754 741567096 /nfs/dbraw/zinc/56/70/96/741567096.db2.gz RVWGHAMRTQHBDQ-JTQLQIEISA-N 1 0 365.402 2.732 20 5 FFBDRO COCC1([NH2+]Cc2ccc(Br)c([N+](=O)[O-])c2)CCOCC1 ZINC000814302509 741810585 /nfs/dbraw/zinc/81/05/85/741810585.db2.gz VZJXNRYJRBVDAG-UHFFFAOYSA-N 1 0 359.220 2.643 20 5 FFBDRO C[NH+](C)C1CCC(NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000817483437 742152242 /nfs/dbraw/zinc/15/22/42/742152242.db2.gz FXGGHWTULLLGOX-UHFFFAOYSA-N 1 0 370.247 2.960 20 5 FFBDRO Cc1ccc([C@@H](C)[NH2+]CCn2cnc(Br)n2)cc1[N+](=O)[O-] ZINC000821401560 742621657 /nfs/dbraw/zinc/62/16/57/742621657.db2.gz FWJYLAJHQZRAAB-SNVBAGLBSA-N 1 0 354.208 2.608 20 5 FFBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@@H]2CS(=O)(=O)c3ccccc32)c1 ZINC000824514651 743097009 /nfs/dbraw/zinc/09/70/09/743097009.db2.gz AMMOWFDDOUCVHR-GFCCVEGCSA-N 1 0 366.826 2.909 20 5 FFBDRO Cn1nccc1[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CCO1 ZINC000825045811 743201053 /nfs/dbraw/zinc/20/10/53/743201053.db2.gz LUPONOVVJDOVTI-LRDDRELGSA-N 1 0 350.806 2.992 20 5 FFBDRO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000825849466 743334043 /nfs/dbraw/zinc/33/40/43/743334043.db2.gz IEYLWYPVXIEMMI-CQSZACIVSA-N 1 0 367.833 2.621 20 5 FFBDRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC000828958857 745146081 /nfs/dbraw/zinc/14/60/81/745146081.db2.gz JIMTZECDEUAYGJ-CVEARBPZSA-N 1 0 351.834 2.876 20 5 FFBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2c(F)c(C)cc([N+](=O)[O-])c2F)C1 ZINC000829176130 745176216 /nfs/dbraw/zinc/17/62/16/745176216.db2.gz QRRATERHMWUDBV-LBPRGKRZSA-N 1 0 355.385 2.985 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)c1F ZINC000831454332 745531576 /nfs/dbraw/zinc/53/15/76/745531576.db2.gz QEOQWYHSGZRURG-LLVKDONJSA-N 1 0 355.385 2.984 20 5 FFBDRO CC[C@H]1C[N@H+](CC)CCN1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000831965288 745612383 /nfs/dbraw/zinc/61/23/83/745612383.db2.gz VVXJTVPGFIZFJV-ZDUSSCGKSA-N 1 0 354.838 2.603 20 5 FFBDRO CCC[C@H]([NH2+]CCS(=O)(=O)C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000834887624 745919989 /nfs/dbraw/zinc/91/99/89/745919989.db2.gz WSTUHKHCEIGLGO-KRWDZBQOSA-N 1 0 370.471 2.619 20 5 FFBDRO CO[C@H]1C[C@@H]([NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C12CCC2 ZINC000839188428 746798137 /nfs/dbraw/zinc/79/81/37/746798137.db2.gz CUESNVFXAZUEJT-CABCVRRESA-N 1 0 351.378 2.610 20 5 FFBDRO C[C@@H](CO)[N@H+](CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C1CCCC1 ZINC000839575267 746860204 /nfs/dbraw/zinc/86/02/04/746860204.db2.gz SWGNBHDGDIQLCZ-NSHDSACASA-N 1 0 355.822 2.812 20 5 FFBDRO CC[NH+](CC)CC(=O)N[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC000839863474 746945881 /nfs/dbraw/zinc/94/58/81/746945881.db2.gz ITWOLKUZJMLEOU-ZDUSSCGKSA-N 1 0 351.300 2.795 20 5 FFBDRO CC(C)[N@H+](C[C@H]1CCC(=O)N1)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000840189965 747034260 /nfs/dbraw/zinc/03/42/60/747034260.db2.gz RYIZLMDLNYYCHV-GFCCVEGCSA-N 1 0 365.821 2.544 20 5 FFBDRO CN(CC[NH+](C)C)C(=O)N[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC000841760116 747451877 /nfs/dbraw/zinc/45/18/77/747451877.db2.gz RANFIAIMJACFLB-LBPRGKRZSA-N 1 0 366.315 2.540 20 5 FFBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000841858536 747477800 /nfs/dbraw/zinc/47/78/00/747477800.db2.gz RLKMUJAXZSQRCE-INIZCTEOSA-N 1 0 352.822 2.533 20 5 FFBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000842483346 747615971 /nfs/dbraw/zinc/61/59/71/747615971.db2.gz JNOVZOANRDYCNS-QWHCGFSZSA-N 1 0 373.862 2.543 20 5 FFBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000842483347 747616116 /nfs/dbraw/zinc/61/61/16/747616116.db2.gz JNOVZOANRDYCNS-STQMWFEESA-N 1 0 373.862 2.543 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2nc([C@H]3CCC[NH2+]C3)no2)c(Br)c1 ZINC000842670443 747655144 /nfs/dbraw/zinc/65/51/44/747655144.db2.gz UVHSHATVQATEDY-QMMMGPOBSA-N 1 0 353.176 2.874 20 5 FFBDRO C[C@H]([NH3+])C1CCN([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000843348372 747814501 /nfs/dbraw/zinc/81/45/01/747814501.db2.gz DWXAWPKTGQQVST-QWRGUYRKSA-N 1 0 354.838 2.634 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+]CC[C@@]2(C)C[C@]2(F)Cl)cc1[N+](=O)[O-] ZINC000846030869 748389212 /nfs/dbraw/zinc/38/92/12/748389212.db2.gz DVTDRHQBDAVIMK-JKSUJKDBSA-N 1 0 374.796 2.941 20 5 FFBDRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(C(=O)c3cc(Cl)ccc3[N+](=O)[O-])C2)C1 ZINC000846691977 748524703 /nfs/dbraw/zinc/52/47/03/748524703.db2.gz ZEXFRRDLTAPYHZ-NORZTCDRSA-N 1 0 367.833 2.607 20 5 FFBDRO CC(C)[NH+]1CCC(NC(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)CC1 ZINC000848580331 748965084 /nfs/dbraw/zinc/96/50/84/748965084.db2.gz MYTULQXCZJNQAC-UHFFFAOYSA-N 1 0 357.357 2.555 20 5 FFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC[S@@](=O)CC(F)(F)F ZINC000850490967 749373287 /nfs/dbraw/zinc/37/32/87/749373287.db2.gz JGATYMIMGHOBLC-BSNNYGBQSA-N 1 0 352.378 2.817 20 5 FFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000850592151 749392377 /nfs/dbraw/zinc/39/23/77/749392377.db2.gz MYLIQUYSMXLXEQ-LLVKDONJSA-N 1 0 373.862 2.510 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000852199018 749800113 /nfs/dbraw/zinc/80/01/13/749800113.db2.gz FFSXUWKUWOFWDI-CYBMUJFWSA-N 1 0 354.838 2.920 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)c(N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c(Cl)c1 ZINC000853965830 750211325 /nfs/dbraw/zinc/21/13/25/750211325.db2.gz MKIQATMVLPSYNK-LBPRGKRZSA-N 1 0 360.241 2.937 20 5 FFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@H](Cn3ccnc3)c3ccccc3)C2)c1 ZINC000895705470 970862790 /nfs/dbraw/zinc/86/27/90/970862790.db2.gz BUBOIRQLLCMYIM-LEOMRAHMSA-N 1 0 352.398 2.722 20 5 FFBDRO COc1ccc(-c2ccc(CN3CCCn4nncc4C3)o2)c([N+](=O)[O-])c1 ZINC000895756820 970918860 /nfs/dbraw/zinc/91/88/60/970918860.db2.gz NBNCDOGLENRKGU-UHFFFAOYSA-N 1 0 369.381 2.861 20 5 FFBDRO COc1ccc([C@@H]([NH2+]C(C)C)C(=O)NCc2cccc([N+](=O)[O-])c2)cc1 ZINC000895940317 971100619 /nfs/dbraw/zinc/10/06/19/971100619.db2.gz LKLQJAFBHUFTTM-GOSISDBHSA-N 1 0 357.410 2.959 20 5 FFBDRO O=C1CN(C[N@@H+]2CCC[C@H]2C2CCC2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000728195240 959390685 /nfs/dbraw/zinc/39/06/85/959390685.db2.gz DLZVTOFELMWEMJ-INIZCTEOSA-N 1 0 358.398 2.585 20 5 FFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000134886685 960092945 /nfs/dbraw/zinc/09/29/45/960092945.db2.gz ZJZYVWCVHAPDSK-BBRMVZONSA-N 1 0 354.410 2.691 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]Cc1cccnc1N1CCOCC1 ZINC000873012599 1013348373 /nfs/dbraw/zinc/34/83/73/1013348373.db2.gz KGWDPBSHYPCRCE-UHFFFAOYSA-N 1 0 356.426 2.733 20 5 FFBDRO C[N@H+](CCOCCNC(=O)OC(C)(C)C)CCc1ccc([N+](=O)[O-])cc1 ZINC001175220245 1013416349 /nfs/dbraw/zinc/41/63/49/1013416349.db2.gz ROVQNFGVMSXRCR-UHFFFAOYSA-N 1 0 367.446 2.610 20 5 FFBDRO C[C@@](CO)([NH2+]CCCn1c(=O)[nH]c2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC001175322790 1013444322 /nfs/dbraw/zinc/44/43/22/1013444322.db2.gz GERLDAKULYWKIZ-IBGZPJMESA-N 1 0 370.409 2.538 20 5 FFBDRO COc1c(O)ccc(C[N@@H+]2CCC[C@](CO)(c3ccccc3)C2)c1[N+](=O)[O-] ZINC000894268812 964052969 /nfs/dbraw/zinc/05/29/69/964052969.db2.gz NISHSWFCPNLKAS-FQEVSTJZSA-N 1 0 372.421 2.835 20 5 FFBDRO COc1ccc(NC(=O)CC[NH2+][C@@H]2CCC[C@]23CCCO3)c([N+](=O)[O-])c1 ZINC001175689205 1013539527 /nfs/dbraw/zinc/53/95/27/1013539527.db2.gz SFFVVEAYDYWXCP-AEFFLSMTSA-N 1 0 363.414 2.623 20 5 FFBDRO Cc1cccc2c1CCN(CC(=O)N1CCc3cc([N+](=O)[O-])ccc31)C2 ZINC000729480075 966031364 /nfs/dbraw/zinc/03/13/64/966031364.db2.gz XBMWIUMBWSZQCA-UHFFFAOYSA-N 1 0 351.406 2.851 20 5 FFBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCOC[C@@H]2C[C@H]2CCCO2)cc1 ZINC001176611804 1013736014 /nfs/dbraw/zinc/73/60/14/1013736014.db2.gz XIMLDYYTBOLCEU-FUHWJXTLSA-N 1 0 350.415 2.634 20 5 FFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc2ccccc2s1 ZINC001029304863 967649017 /nfs/dbraw/zinc/64/90/17/967649017.db2.gz MYEZYOKEIYQPIE-YALNPMBYSA-N 1 0 371.462 2.742 20 5 FFBDRO C[C@@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1cnn(CC2CCC2)c1 ZINC001176849290 1013794658 /nfs/dbraw/zinc/79/46/58/1013794658.db2.gz MYPZOLWZGSFRJA-PBHICJAKSA-N 1 0 374.441 2.682 20 5 FFBDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 ZINC000177572151 969272587 /nfs/dbraw/zinc/27/25/87/969272587.db2.gz PQSDZIJTAFXIMC-GJZGRUSLSA-N 1 0 360.458 2.798 20 5 FFBDRO C[C@H]1C[NH2+]CC[C@@H]1Oc1ccc(I)cc1[N+](=O)[O-] ZINC001218412386 970046383 /nfs/dbraw/zinc/04/63/83/970046383.db2.gz FFLBBSSJSNPRGH-KWQFWETISA-N 1 0 362.167 2.576 20 5 FFBDRO Cn1ncc([N+](=O)[O-])c1N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000892776701 970284242 /nfs/dbraw/zinc/28/42/42/970284242.db2.gz JUMHMYYHUWBTTN-IBGZPJMESA-N 1 0 355.442 2.821 20 5 FFBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]C[C@H]3CCC4(CCOCC4)CO3)nc2c1 ZINC000895538154 970717380 /nfs/dbraw/zinc/71/73/80/970717380.db2.gz YEWJSMSZEXWUTI-CQSZACIVSA-N 1 0 361.398 2.801 20 5 FFBDRO O=C1N[C@H](C2CCN(Cc3cc([N+](=O)[O-])ccc3OC(F)F)CC2)CO1 ZINC000897027956 973162693 /nfs/dbraw/zinc/16/26/93/973162693.db2.gz VPXDBWUGFPKUJD-ZDUSSCGKSA-N 1 0 371.340 2.517 20 5 FFBDRO C[C@@H](CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1[N+](=O)[O-] ZINC000897058134 973203086 /nfs/dbraw/zinc/20/30/86/973203086.db2.gz MHJQQQRKPIDAGX-LSVZVQIISA-N 1 0 360.458 2.965 20 5 FFBDRO C[C@H](CNC(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000897058670 973203681 /nfs/dbraw/zinc/20/36/81/973203681.db2.gz PYOUZGFCXVWOOU-OWCLPIDISA-N 1 0 360.458 2.967 20 5 FFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]C[C@H]1CCN1C1CCOCC1 ZINC000897228920 973478782 /nfs/dbraw/zinc/47/87/82/973478782.db2.gz OSKZHUHRXHZBHJ-OAHLLOKOSA-N 1 0 373.375 2.957 20 5 FFBDRO C[N@H+](Cc1ccc(C2CC2)cc1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985425792 974050911 /nfs/dbraw/zinc/05/09/11/974050911.db2.gz JHHNAKYNVQPDBW-RTBURBONSA-N 1 0 357.454 2.652 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N2CCN(c3cc[nH+]cc3)[C@@H](C)C2)c1F ZINC000893447991 974075253 /nfs/dbraw/zinc/07/52/53/974075253.db2.gz PDZIJUWHBDJCNL-ZDUSSCGKSA-N 1 0 358.373 2.788 20 5 FFBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000027752258 975325001 /nfs/dbraw/zinc/32/50/01/975325001.db2.gz RYSXLJUHTNREQG-OAHLLOKOSA-N 1 0 360.458 2.799 20 5 FFBDRO Cc1ccccc1[C@@H](O)C1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000796407633 1014350624 /nfs/dbraw/zinc/35/06/24/1014350624.db2.gz QVCWDQJZPSQZJY-FQEVSTJZSA-N 1 0 371.437 2.511 20 5 FFBDRO C[N@H+](CCC1CCCC1)CCC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001268196982 977117570 /nfs/dbraw/zinc/11/75/70/977117570.db2.gz BBQXXBORYLLLQJ-QZTJIDSGSA-N 1 0 351.491 2.792 20 5 FFBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1c1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC000893825988 977561952 /nfs/dbraw/zinc/56/19/52/977561952.db2.gz BCELXNWDWUQMMY-KBPBESRZSA-N 1 0 356.426 2.510 20 5 FFBDRO CN(C)[C@@H](C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)c1c(F)cccc1F ZINC000877044697 1014460960 /nfs/dbraw/zinc/46/09/60/1014460960.db2.gz FDULQPOCDUYMMG-PPUFBPAQSA-N 1 0 365.384 2.666 20 5 FFBDRO Cc1noc(C)c1CCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000877092559 1014473539 /nfs/dbraw/zinc/47/35/39/1014473539.db2.gz GEJNZVKXVVNOKR-UHFFFAOYSA-N 1 0 359.430 2.786 20 5 FFBDRO COc1ccc(C[C@@H](C)C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)cc1OC ZINC000877129946 1014481806 /nfs/dbraw/zinc/48/18/06/1014481806.db2.gz RPHQDHIYOGCUMY-IUDNXUCKSA-N 1 0 374.441 2.980 20 5 FFBDRO COc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000126339839 978432104 /nfs/dbraw/zinc/43/21/04/978432104.db2.gz WYGUVZARDRWROM-QGZVFWFLSA-N 1 0 358.394 2.749 20 5 FFBDRO Cn1cc(CC[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)c2ccc(F)cc21 ZINC000877397904 1014572839 /nfs/dbraw/zinc/57/28/39/1014572839.db2.gz AHPOXHZRYYNCRB-UHFFFAOYSA-N 1 0 357.389 2.958 20 5 FFBDRO C[N@@H+](Cc1ccccc1C1CC1)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001029964600 980152983 /nfs/dbraw/zinc/15/29/83/980152983.db2.gz QKVNKJLZRWJULY-WOJBJXKFSA-N 1 0 371.481 2.900 20 5 FFBDRO O=C(CC[NH2+]C[C@@H]1CCCN1CC(F)(F)F)Nc1ccccc1[N+](=O)[O-] ZINC000905567392 980467109 /nfs/dbraw/zinc/46/71/09/980467109.db2.gz ZGQNQCDVSVQREJ-LBPRGKRZSA-N 1 0 374.363 2.540 20 5 FFBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000027251800 981268416 /nfs/dbraw/zinc/26/84/16/981268416.db2.gz AZQSIFWCWIMKIX-DHZHZOJOSA-N 1 0 365.433 2.995 20 5 FFBDRO Cc1c(CO)cc([N+](=O)[O-])c(NCCC[N@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000796455738 1015004846 /nfs/dbraw/zinc/00/48/46/1015004846.db2.gz MXKYHNFFEVHYFT-GFCCVEGCSA-N 1 0 366.418 2.980 20 5 FFBDRO COc1ccc(CC(=O)N2CCCC[C@H]2[C@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000912811627 984123069 /nfs/dbraw/zinc/12/30/69/984123069.db2.gz LYAXGZHFORWDMU-ZBFHGGJFSA-N 1 0 363.458 2.725 20 5 FFBDRO CO[C@@H]1[C@H]2C[C@H]3C[N@H+](Cc4nnc(-c5ccccc5[N+](=O)[O-])o4)[C@H]1[C@H]3C2 ZINC000878603805 1015125827 /nfs/dbraw/zinc/12/58/27/1015125827.db2.gz IENPAEPCSHASIF-SKRAFVOUSA-N 1 0 356.382 2.500 20 5 FFBDRO O=C(Cc1cccc(F)c1[N+](=O)[O-])N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccc1 ZINC000913687525 986832382 /nfs/dbraw/zinc/83/23/82/986832382.db2.gz MRYDPESAZOSPTB-IRXDYDNUSA-N 1 0 369.396 2.762 20 5 FFBDRO [NH3+]C1CCN(c2ccc(-c3noc(-c4ccc([N+](=O)[O-])cc4)n3)cn2)CC1 ZINC000843145503 987182351 /nfs/dbraw/zinc/18/23/51/987182351.db2.gz ILEJKAMSXWYXRU-UHFFFAOYSA-N 1 0 366.381 2.634 20 5 FFBDRO CN(c1nc2ccccn2c1[N+](=O)[O-])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000761909988 987978625 /nfs/dbraw/zinc/97/86/25/987978625.db2.gz AXLAPQRWDWVFNP-MRXNPFEDSA-N 1 0 351.410 2.953 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCN(CCOCCOc3ccccc3)CC2)cc1 ZINC000916987333 990080261 /nfs/dbraw/zinc/08/02/61/990080261.db2.gz RGZHPELGIJUGBY-UHFFFAOYSA-N 1 0 371.437 2.812 20 5 FFBDRO CC(C)Oc1cccc(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000917138054 990154221 /nfs/dbraw/zinc/15/42/21/990154221.db2.gz SALYXSPKFAHRGE-KRWDZBQOSA-N 1 0 360.410 2.912 20 5 FFBDRO NC(=O)COc1ccc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000917175037 990168048 /nfs/dbraw/zinc/16/80/48/990168048.db2.gz AESZLXABAZWWEW-UHFFFAOYSA-N 1 0 355.394 2.624 20 5 FFBDRO COC(=O)[C@H](C)[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000154619953 990326333 /nfs/dbraw/zinc/32/63/33/990326333.db2.gz HPZCWORBYPDFAC-JEBQAFNWSA-N 1 0 358.394 2.768 20 5 FFBDRO COc1cccc(C(=O)N(CC[NH+](C)C)Cc2ccc(C)o2)c1[N+](=O)[O-] ZINC000194690522 990445025 /nfs/dbraw/zinc/44/50/25/990445025.db2.gz ARWFLEJZLVMIAL-UHFFFAOYSA-N 1 0 361.398 2.709 20 5 FFBDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000919769063 990727101 /nfs/dbraw/zinc/72/71/01/990727101.db2.gz MQDHOUJOXVEDFS-CQSZACIVSA-N 1 0 373.457 2.571 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000923505888 991198400 /nfs/dbraw/zinc/19/84/00/991198400.db2.gz DAUZUKHPSUUOHS-INIZCTEOSA-N 1 0 374.485 2.943 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)Nc1ccnc(OCC[NH+](C)C)c1 ZINC001127580868 991408932 /nfs/dbraw/zinc/40/89/32/991408932.db2.gz RVFBZFANQKHOEX-UHFFFAOYSA-N 1 0 358.398 2.799 20 5 FFBDRO C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N)CC[N@@H+]1Cc1ccccc1 ZINC000184481573 992778408 /nfs/dbraw/zinc/77/84/08/992778408.db2.gz BRQKVODVEXURBL-HOCLYGCPSA-N 1 0 368.437 2.960 20 5 FFBDRO C[C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CCN1c1cc[nH+]cc1 ZINC000880263397 1015793239 /nfs/dbraw/zinc/79/32/39/1015793239.db2.gz XLAGUNHLIPWJEX-CYBMUJFWSA-N 1 0 353.382 2.842 20 5 FFBDRO C[C@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCN1c1cc[nH+]cc1 ZINC000880261365 1015792827 /nfs/dbraw/zinc/79/28/27/1015792827.db2.gz VCRICVPTNPRPLZ-ZDUSSCGKSA-N 1 0 352.398 2.577 20 5 FFBDRO [NH3+]CCN(c1cccc2ncc([N+](=O)[O-])n21)C12CC3CC(CC(C3)C1)C2 ZINC001170629423 995078689 /nfs/dbraw/zinc/07/86/89/995078689.db2.gz FNBWJFYMKMEQAS-UHFFFAOYSA-N 1 0 355.442 2.976 20 5 FFBDRO O=C(OCCC[NH+]1CCCCC1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000747758740 995318578 /nfs/dbraw/zinc/31/85/78/995318578.db2.gz PNTZVVLGHRSTJY-UHFFFAOYSA-N 1 0 359.382 2.881 20 5 FFBDRO O=C1N=NCN1C1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000813327320 995677279 /nfs/dbraw/zinc/67/72/79/995677279.db2.gz DYNGXSGGCDFLAX-UHFFFAOYSA-N 1 0 369.381 2.989 20 5 FFBDRO C[C@@H](CCNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1ccccc1 ZINC000826747868 1016058393 /nfs/dbraw/zinc/05/83/93/1016058393.db2.gz YRUXAFBNFUSDOK-HNAYVOBHSA-N 1 0 371.437 2.655 20 5 FFBDRO O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000730805972 997497203 /nfs/dbraw/zinc/49/72/03/997497203.db2.gz FYWYICVFWPOSGG-INIZCTEOSA-N 1 0 358.442 2.552 20 5 FFBDRO C[NH+](C)[C@@H]1Cc2ccccc2N(C(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000731466496 997933394 /nfs/dbraw/zinc/93/33/94/997933394.db2.gz SOOQDQYTHDNMGJ-MRXNPFEDSA-N 1 0 368.437 2.916 20 5 FFBDRO C[C@H]1CCCN(Cn2cc([N+](=O)[O-])cn2)[C@@H]1CCNC(=O)OC(C)(C)C ZINC000844731412 998128347 /nfs/dbraw/zinc/12/83/47/998128347.db2.gz SMQQXUYJECAUBL-DZGCQCFKSA-N 1 0 367.450 2.764 20 5 FFBDRO COc1cc2c(cc1C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)O[C@@H](C)C2 ZINC000731678716 998143793 /nfs/dbraw/zinc/14/37/93/998143793.db2.gz ONTXIOMBXRQUCY-SJCJKPOMSA-N 1 0 358.394 2.750 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(COC(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)c1 ZINC000845125114 998369073 /nfs/dbraw/zinc/36/90/73/998369073.db2.gz XZIJYZHSMTZMDQ-AVGNSLFASA-N 1 0 364.398 2.686 20 5 FFBDRO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)NCCCCC[NH+]1CCCCC1 ZINC000732022676 998406750 /nfs/dbraw/zinc/40/67/50/998406750.db2.gz SNGGEIVFRAAKKD-UHFFFAOYSA-N 1 0 373.457 2.717 20 5 FFBDRO CCCC[NH+]1CCC(NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)CC1 ZINC001144434014 998540409 /nfs/dbraw/zinc/54/04/09/998540409.db2.gz NBLGAVCVIKPJJP-UHFFFAOYSA-N 1 0 372.828 2.964 20 5 FFBDRO O=C1CCCCN1[C@H]1CCC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000732807505 998780917 /nfs/dbraw/zinc/78/09/17/998780917.db2.gz PQCZVEVRTMTCDD-KRWDZBQOSA-N 1 0 361.442 2.841 20 5 FFBDRO C[NH+](C)Cc1ccc(NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)c(F)c1 ZINC001299306843 999097389 /nfs/dbraw/zinc/09/73/89/999097389.db2.gz RMXNCUHLXDFADO-UHFFFAOYSA-N 1 0 371.372 2.784 20 5 FFBDRO Cc1cc(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)c(N)c([N+](=O)[O-])c1 ZINC000734178419 999222666 /nfs/dbraw/zinc/22/26/66/999222666.db2.gz XSJUHHLDMVWHGO-INIZCTEOSA-N 1 0 368.437 2.880 20 5 FFBDRO CC[C@H](C(=O)OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[NH+](CC)CC ZINC000741031954 999701293 /nfs/dbraw/zinc/70/12/93/999701293.db2.gz BUPGEDOECDPKMM-CQSZACIVSA-N 1 0 362.386 2.808 20 5 FFBDRO C[NH+](C)C1(CNC(=O)c2cc([N+](=O)[O-])ccc2F)Cc2ccccc2C1 ZINC000741603502 999733815 /nfs/dbraw/zinc/73/38/15/999733815.db2.gz LWWOSWDNNVMBPA-UHFFFAOYSA-N 1 0 357.385 2.563 20 5 FFBDRO O=C(C[N@@H+]1CCC[C@@H]2CCC[C@@H]21)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000744407309 999855776 /nfs/dbraw/zinc/85/57/76/999855776.db2.gz SOYKJRGVVYGDIX-LPHOPBHVSA-N 1 0 372.469 2.508 20 5 FFBDRO COc1ccc(OCCOC(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000745091367 999891976 /nfs/dbraw/zinc/89/19/76/999891976.db2.gz GMMATVMQCANJCV-MJBXVCDLSA-N 1 0 366.414 2.787 20 5 FFBDRO CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](C[NH2+][C@H]3CC[C@H](C[N+](=O)[O-])C3)CC[C@@H]2C1 ZINC001168965011 1000013356 /nfs/dbraw/zinc/01/33/56/1000013356.db2.gz XHSLQULTXSRVMA-JZAWBGDQSA-N 1 0 367.490 2.915 20 5 FFBDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)C(F)(F)C1 ZINC001168969039 1000013530 /nfs/dbraw/zinc/01/35/30/1000013530.db2.gz BQLZMMSAHJIAGZ-AGIUHOORSA-N 1 0 363.405 2.666 20 5 FFBDRO COc1ccc(CN2CCC([NH2+][C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)cc1F ZINC001168992482 1000013760 /nfs/dbraw/zinc/01/37/60/1000013760.db2.gz KBGWODUDJFBUBF-PBHICJAKSA-N 1 0 365.449 2.834 20 5 FFBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]C2CCN(Cc3cc(F)ccc3F)CC2)C1 ZINC001168993622 1000014042 /nfs/dbraw/zinc/01/40/42/1000014042.db2.gz NTYQKKUGVJNIEJ-GUYCJALGSA-N 1 0 353.413 2.964 20 5 FFBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+][C@H](CCO)c2cccc(Br)c2)C1 ZINC001168993634 1000014044 /nfs/dbraw/zinc/01/40/44/1000014044.db2.gz NZJYBCXPQUXCHL-NILFDRSVSA-N 1 0 357.248 2.908 20 5 FFBDRO COc1ccc(F)c(CN2CCC([NH2+][C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)c1 ZINC001168997096 1000014270 /nfs/dbraw/zinc/01/42/70/1000014270.db2.gz XPHZHFMZGBTRSD-RHSMWYFYSA-N 1 0 365.449 2.834 20 5 FFBDRO O=C([C@H](Cc1ccccc1)[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)N1CCCCC1 ZINC001169004317 1000014701 /nfs/dbraw/zinc/01/47/01/1000014701.db2.gz QLRZCSRRTGESKU-QRVBRYPASA-N 1 0 359.470 2.645 20 5 FFBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)CC2(F)F)C1 ZINC001169001697 1000014787 /nfs/dbraw/zinc/01/47/87/1000014787.db2.gz HOJANDHRHNDMHJ-IXDOHACOSA-N 1 0 353.413 2.931 20 5 FFBDRO CC(C)(C)OC(=O)N1CC[C@]2(CC[N@@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)C1 ZINC001169010293 1000015274 /nfs/dbraw/zinc/01/52/74/1000015274.db2.gz CHLDJXDLQQBEJJ-VKJFTORMSA-N 1 0 353.463 2.765 20 5 FFBDRO CC(C)(C)OC(=O)N1CCC12CC[NH+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169013458 1000015566 /nfs/dbraw/zinc/01/55/66/1000015566.db2.gz VLGXZPLSVKXKRW-CABCVRRESA-N 1 0 353.463 2.907 20 5 FFBDRO COc1ccc(CCN2CCC([NH2+][C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)cc1 ZINC001168987859 1000015843 /nfs/dbraw/zinc/01/58/43/1000015843.db2.gz KXMWPFYMDGZPIS-IEBWSBKVSA-N 1 0 361.486 2.737 20 5 FFBDRO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@H]2C1 ZINC001169035778 1000016553 /nfs/dbraw/zinc/01/65/53/1000016553.db2.gz LUDXHXDUPPEMQQ-ZJIFWQFVSA-N 1 0 353.463 2.621 20 5 FFBDRO O=C(c1ccccc1Cl)N1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169037779 1000016742 /nfs/dbraw/zinc/01/67/42/1000016742.db2.gz UGAAPDJZAMLZOJ-KGLIPLIRSA-N 1 0 351.834 2.543 20 5 FFBDRO O=[N+]([O-])C[C@H]1CC[C@H](N(c2ncnc3ccccc32)C2CC[NH2+]CC2)C1 ZINC001169043774 1000017273 /nfs/dbraw/zinc/01/72/73/1000017273.db2.gz HOQIBWLPMWIFPM-HOCLYGCPSA-N 1 0 355.442 2.634 20 5 FFBDRO O=C1N(CC2CCCC2)CCC12CC[NH+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169024525 1000017915 /nfs/dbraw/zinc/01/79/15/1000017915.db2.gz WSGMMWNGPMAYRA-ROUUACIJSA-N 1 0 363.502 2.937 20 5 FFBDRO CS(=O)(=O)c1cccc([C@@H]2CCC[N@@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C2)c1 ZINC001169046923 1000018421 /nfs/dbraw/zinc/01/84/21/1000018421.db2.gz OLCBYTPVVWIEOR-UAGQMJEPSA-N 1 0 366.483 2.715 20 5 FFBDRO CCn1c2ccccc2nc1N1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169055342 1000019066 /nfs/dbraw/zinc/01/90/66/1000019066.db2.gz PSLBVGOXRRPZHC-HOTGVXAUSA-N 1 0 357.458 2.624 20 5 FFBDRO CCOC(=O)C1(Nc2c(Cl)cc(C)cc2[N+](=O)[O-])CC[NH+](C)CC1 ZINC001169500200 1000053945 /nfs/dbraw/zinc/05/39/45/1000053945.db2.gz IMTQBAUCTSZGCJ-UHFFFAOYSA-N 1 0 355.822 2.996 20 5 FFBDRO C[NH+](C)CCOc1cc(NC[C@H](CO)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC001169903775 1000084990 /nfs/dbraw/zinc/08/49/90/1000084990.db2.gz LCSUJRZMHKFURV-QGZVFWFLSA-N 1 0 373.453 2.798 20 5 FFBDRO C[NH2+]Cc1ccccc1CNC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000846691920 1000410672 /nfs/dbraw/zinc/41/06/72/1000410672.db2.gz QQIAXVAHVLDIHD-UHFFFAOYSA-N 1 0 372.381 2.769 20 5 FFBDRO Cc1cc(-n2nnc3ccc(C[NH3+])cc32)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001170022734 1001016782 /nfs/dbraw/zinc/01/67/82/1001016782.db2.gz ZKOBDJQENWXFIO-UHFFFAOYSA-N 1 0 361.365 2.553 20 5 FFBDRO O=C(CC1([NH+]2CCOCC2)CCCC1)OCCc1ccc([N+](=O)[O-])cc1 ZINC000786107619 1001530824 /nfs/dbraw/zinc/53/08/24/1001530824.db2.gz YQSIRHIPJXOVOF-UHFFFAOYSA-N 1 0 362.426 2.716 20 5 FFBDRO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N)[C@H](C)CN1Cc1ccccc1 ZINC000787194072 1001674347 /nfs/dbraw/zinc/67/43/47/1001674347.db2.gz ZBLYWHSTDNQAPE-HUUCEWRRSA-N 1 0 368.437 2.912 20 5 FFBDRO CCCN(CCC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000787758885 1001710718 /nfs/dbraw/zinc/71/07/18/1001710718.db2.gz KUIGDVAADMCWRS-UHFFFAOYSA-N 1 0 366.418 2.924 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@]2(O)CCc3ccccc32)n1 ZINC000774268659 1001827125 /nfs/dbraw/zinc/82/71/25/1001827125.db2.gz FKLPQRHHQRKVCP-YQVWRLOYSA-N 1 0 356.426 2.699 20 5 FFBDRO Cc1ccc(N2CC[C@@H]([NH2+][C@@H](C)c3ccc(N)c([N+](=O)[O-])c3)C2=O)cc1 ZINC000788663583 1001845829 /nfs/dbraw/zinc/84/58/29/1001845829.db2.gz HFDHFWQJDNCUFK-SUMWQHHRSA-N 1 0 354.410 2.942 20 5 FFBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCN(c2cc[nH+]cc2)C1 ZINC001183085540 1002142679 /nfs/dbraw/zinc/14/26/79/1002142679.db2.gz NLZXBLYNOJSHTN-CQSZACIVSA-N 1 0 374.828 2.828 20 5 FFBDRO COCC[N@H+](Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CC[C@@H](C)C1 ZINC000790481345 1002390625 /nfs/dbraw/zinc/39/06/25/1002390625.db2.gz XLQFWMLJUBXTEO-ZBFHGGJFSA-N 1 0 359.430 2.948 20 5 FFBDRO CC[N@@H+]1CCCC[C@@H]1CNc1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-] ZINC001185338864 1002922797 /nfs/dbraw/zinc/92/27/97/1002922797.db2.gz MXHXNODWORBUSL-CYBMUJFWSA-N 1 0 359.386 2.759 20 5 FFBDRO COc1ccc(C[C@@H](C)[NH2+]C2CCN(C(=O)C3CC3)CC2)c([N+](=O)[O-])c1 ZINC001170297517 1003091482 /nfs/dbraw/zinc/09/14/82/1003091482.db2.gz OKYOFGZECCUBPR-CYBMUJFWSA-N 1 0 361.442 2.525 20 5 FFBDRO COc1cccc([C@@H](CO)[NH2+][C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])c1 ZINC001170305582 1003093929 /nfs/dbraw/zinc/09/39/29/1003093929.db2.gz NKMTVICEEKFQHI-FZKQIMNGSA-N 1 0 360.410 2.866 20 5 FFBDRO CCCCC[C@H]([NH2+][C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])C(=O)NC ZINC001170317767 1003108723 /nfs/dbraw/zinc/10/87/23/1003108723.db2.gz LFFXMUJNIGLWCF-CJNGLKHVSA-N 1 0 351.447 2.819 20 5 FFBDRO COc1ccc(C[C@H](C)N2Cc3ccccc3C[C@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC001170328803 1003114599 /nfs/dbraw/zinc/11/45/99/1003114599.db2.gz VIJZGZJCIFSUPD-KSSFIOAISA-N 1 0 355.438 2.920 20 5 FFBDRO CC[C@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000775678958 1003633243 /nfs/dbraw/zinc/63/32/43/1003633243.db2.gz WYOHTLQQBAVKHM-QFBILLFUSA-N 1 0 374.485 2.802 20 5 FFBDRO O=[N+]([O-])c1cccc([N+](=O)[O-])c1NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000804607273 1003741847 /nfs/dbraw/zinc/74/18/47/1003741847.db2.gz PZXDCPRNFYATRJ-HNNXBMFYSA-N 1 0 372.381 2.682 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H](Cn2ccnc2)c2ccccc2)c1 ZINC001197265476 1004147586 /nfs/dbraw/zinc/14/75/86/1004147586.db2.gz SJEKDHVXCOSTDL-RTBURBONSA-N 1 0 352.394 2.856 20 5 FFBDRO O=C(O[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)C1CC[NH+](C2CC2)CC1 ZINC000805897703 1004173737 /nfs/dbraw/zinc/17/37/37/1004173737.db2.gz VSWPOFXPSZFJQX-JKSUJKDBSA-N 1 0 362.430 2.693 20 5 FFBDRO Cc1ccc(C)c(C2CC[NH+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)c1 ZINC001198466463 1004627988 /nfs/dbraw/zinc/62/79/88/1004627988.db2.gz AAJNULRQPIKUPB-SFHVURJKSA-N 1 0 358.442 2.649 20 5 FFBDRO CC(=O)NCC[C@H]1CCC[N@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000808218016 1004776985 /nfs/dbraw/zinc/77/69/85/1004776985.db2.gz MKCLFJITFNVINC-MRXNPFEDSA-N 1 0 371.441 2.654 20 5 FFBDRO C[C@@H](C(=O)N1CC[NH2+][C@@H](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC001170546826 1004782309 /nfs/dbraw/zinc/78/23/09/1004782309.db2.gz HJGPTFRZWNGLQQ-ZBFHGGJFSA-N 1 0 371.412 2.881 20 5 FFBDRO CCC[N@H+](Cn1cc([N+](=O)[O-])cn1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000101539255 1004860237 /nfs/dbraw/zinc/86/02/37/1004860237.db2.gz ZKBJXMJZYVYMCW-UHFFFAOYSA-N 1 0 371.441 2.766 20 5 FFBDRO C[N@H+](CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1C=CCCCCC1 ZINC001195488052 1004975716 /nfs/dbraw/zinc/97/57/16/1004975716.db2.gz NTNLNXIBMHFKCB-OAHLLOKOSA-N 1 0 367.471 2.694 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+]C[C@H](OC)c2ccccc2)cc1[N+](=O)[O-] ZINC001199657252 1004990731 /nfs/dbraw/zinc/99/07/31/1004990731.db2.gz HSCSYOKLNXQEPF-SFHVURJKSA-N 1 0 374.393 2.624 20 5 FFBDRO C[C@H](C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)N1CCc2ccccc2C1 ZINC000776277388 1005337307 /nfs/dbraw/zinc/33/73/07/1005337307.db2.gz NXSLRHGXCQYBLB-QRWLVFNGSA-N 1 0 355.438 2.665 20 5 FFBDRO Cc1ccccc1C[NH+]1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776277119 1005337470 /nfs/dbraw/zinc/33/74/70/1005337470.db2.gz PHLJXLOTMPPHIM-HXUWFJFHSA-N 1 0 355.438 2.754 20 5 FFBDRO O=C(N[C@H]1CC[C@H](C[NH2+]Cc2ccc3c(c2)CCC3)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001050325986 1016969225 /nfs/dbraw/zinc/96/92/25/1016969225.db2.gz PZGZMPMVMFSINW-LMFCIFFHSA-N 1 0 371.481 2.605 20 5 FFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@]12OCCC[C@H]1C2(F)F ZINC000850535483 1005820777 /nfs/dbraw/zinc/82/07/77/1005820777.db2.gz YFTSHPPXGDXELR-PEYYIBSZSA-N 1 0 369.368 2.716 20 5 FFBDRO O=C(O[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1)c1ccnn1C(F)F ZINC000851035190 1005857928 /nfs/dbraw/zinc/85/79/28/1005857928.db2.gz DTKYZUOQUWLSNK-ZDUSSCGKSA-N 1 0 366.324 2.618 20 5 FFBDRO Cc1nn(CCC(=O)OC[C@@H]2CC[N@@H+]2Cc2ccccc2)c(C)c1[N+](=O)[O-] ZINC000851467545 1005889925 /nfs/dbraw/zinc/88/99/25/1005889925.db2.gz YLTVVWJLOAJQMX-KRWDZBQOSA-N 1 0 372.425 2.616 20 5 FFBDRO CC[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C[C@H]1COc2ccccc2O1 ZINC000776574163 1005953165 /nfs/dbraw/zinc/95/31/65/1005953165.db2.gz DPWFYMLVCMFYSK-IRXDYDNUSA-N 1 0 358.394 2.790 20 5 FFBDRO C[C@H]1CN(C(=O)OC(C)(C)C)CCN1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776582816 1005954423 /nfs/dbraw/zinc/95/44/23/1005954423.db2.gz VURHPTPUEOYMHZ-BBRMVZONSA-N 1 0 365.430 2.569 20 5 FFBDRO CC(C)(C)OC(=O)NC1CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776586544 1005983504 /nfs/dbraw/zinc/98/35/04/1005983504.db2.gz GAUNCJIRJGEOSR-MRXNPFEDSA-N 1 0 365.430 2.617 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+](Cc2ccccc2)[C@H](CO)C2CC2)cc1 ZINC000776594142 1006009137 /nfs/dbraw/zinc/00/91/37/1006009137.db2.gz XADAPRKJODGROZ-UXHICEINSA-N 1 0 356.422 2.901 20 5 FFBDRO O=C1CCCN1C[C@@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000776605801 1006116184 /nfs/dbraw/zinc/11/61/84/1006116184.db2.gz ONZDHTGJMCQGKR-MOPGFXCFSA-N 1 0 369.421 2.582 20 5 FFBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC(CC)([NH+]3CCCCC3)CC2)n1 ZINC000881628658 1006160770 /nfs/dbraw/zinc/16/07/70/1006160770.db2.gz ZHDMWMCQQPVOKL-UHFFFAOYSA-N 1 0 363.462 2.682 20 5 FFBDRO C[C@@H](C(=O)N1CCN(c2cc[nH+]cc2)[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000881632528 1006163920 /nfs/dbraw/zinc/16/39/20/1006163920.db2.gz BSUHLGFJYPWPBQ-HUUCEWRRSA-N 1 0 354.410 2.831 20 5 FFBDRO CC(=O)c1c(NCc2ccc(N3CC[NH+](C)CC3)nc2)cccc1[N+](=O)[O-] ZINC000881786248 1006218495 /nfs/dbraw/zinc/21/84/95/1006218495.db2.gz SSCCFNZDSVPXPA-UHFFFAOYSA-N 1 0 369.425 2.556 20 5 FFBDRO O=[N+]([O-])c1cnccc1N1CCC[N@H+](Cc2ccccc2)CCOCC1 ZINC001187739917 1006226922 /nfs/dbraw/zinc/22/69/22/1006226922.db2.gz OGFNGGKYWZUWCK-UHFFFAOYSA-N 1 0 356.426 2.719 20 5 FFBDRO O=[N+]([O-])c1cc2c(nc1N1CCC(O)(C[NH+]3CCCCC3)CC1)CCCC2 ZINC001187870960 1006300834 /nfs/dbraw/zinc/30/08/34/1006300834.db2.gz HYSCWDWZHKYHTQ-UHFFFAOYSA-N 1 0 374.485 2.686 20 5 FFBDRO O=C(Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1)c1ccc([N+](=O)[O-])cn1 ZINC000882394178 1006381958 /nfs/dbraw/zinc/38/19/58/1006381958.db2.gz RBXHVRCOGDRAKW-QGZVFWFLSA-N 1 0 367.409 2.527 20 5 FFBDRO O=[N+]([O-])c1cn(CN2CC[C@@H](C[NH+]3CCCCC3)C2)nc1-c1ccccn1 ZINC000853498333 1006415373 /nfs/dbraw/zinc/41/53/73/1006415373.db2.gz NGKIJHWYHLYABZ-INIZCTEOSA-N 1 0 370.457 2.619 20 5 FFBDRO O=[N+]([O-])c1cn(C[N@@H+]2CCC[C@@H]2C2CCOCC2)nc1-c1ccccn1 ZINC000853505899 1006418853 /nfs/dbraw/zinc/41/88/53/1006418853.db2.gz SBXVOVSIKNXBSY-MRXNPFEDSA-N 1 0 357.414 2.702 20 5 FFBDRO O=[N+]([O-])c1cnc2ccccc2c1N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000882726878 1006489740 /nfs/dbraw/zinc/48/97/40/1006489740.db2.gz FQTHCPZAZBAWTI-HNNXBMFYSA-N 1 0 356.426 2.880 20 5 FFBDRO CCC(=O)c1ccc(N2CCC([N@@H+]3CCCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000853688358 1006505260 /nfs/dbraw/zinc/50/52/60/1006505260.db2.gz NAXGIJCMISLWTR-UHFFFAOYSA-N 1 0 361.442 2.879 20 5 FFBDRO CCC1([NH+]2CCCCC2)CCN(c2c(C(N)=O)cccc2[N+](=O)[O-])CC1 ZINC000882816954 1006516531 /nfs/dbraw/zinc/51/65/31/1006516531.db2.gz IVRQEMNWXFJLDN-UHFFFAOYSA-N 1 0 360.458 2.929 20 5 FFBDRO O=[N+]([O-])c1ccc(NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)c([N+](=O)[O-])c1 ZINC000853793870 1006539510 /nfs/dbraw/zinc/53/95/10/1006539510.db2.gz BIKVTYROJIAMOV-INIZCTEOSA-N 1 0 372.381 2.682 20 5 FFBDRO OC[C@@H]1C[NH2+]C[C@@H]1Nc1ccc2ccc3ccc(Br)nc3c2n1 ZINC001170779481 1006552662 /nfs/dbraw/zinc/55/26/62/1006552662.db2.gz CTTPIGSVHQMSBC-STQMWFEESA-N 1 0 373.254 2.538 20 5 FFBDRO C[C@@H]([NH2+]Cc1ccccc1Cn1cncn1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815558240 1006684427 /nfs/dbraw/zinc/68/44/27/1006684427.db2.gz WEKFTCSSWXNUSI-CYBMUJFWSA-N 1 0 352.398 2.668 20 5 FFBDRO CC[NH+]1CCN(c2ccc(C(=O)Nc3ccc(N)c([N+](=O)[O-])c3)cc2)CC1 ZINC000854496136 1006856465 /nfs/dbraw/zinc/85/64/65/1006856465.db2.gz AEMIPKWSVPPDAC-UHFFFAOYSA-N 1 0 369.425 2.571 20 5 FFBDRO C[NH+](C)CCSc1nc(CC(=O)Nc2cccc([N+](=O)[O-])c2)cs1 ZINC001135504474 1006979718 /nfs/dbraw/zinc/97/97/18/1006979718.db2.gz MWTJNIROTBVVLR-UHFFFAOYSA-N 1 0 366.468 2.886 20 5 FFBDRO Cc1c(C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000855166672 1007149092 /nfs/dbraw/zinc/14/90/92/1007149092.db2.gz NXPGZWINGLZVEM-GFCCVEGCSA-N 1 0 364.402 2.722 20 5 FFBDRO O=C(OCCC[NH+]1CCCCC1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000800191708 1007197024 /nfs/dbraw/zinc/19/70/24/1007197024.db2.gz CGERXBXXTUNZBN-UHFFFAOYSA-N 1 0 358.398 2.813 20 5 FFBDRO C[NH2+]CCOc1ccccc1C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000884170812 1007285689 /nfs/dbraw/zinc/28/56/89/1007285689.db2.gz GSXTZGNFTUHUOE-CQSZACIVSA-N 1 0 357.410 2.992 20 5 FFBDRO CCC1([NH+]2CCC2)CCN(C(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000884175787 1007288503 /nfs/dbraw/zinc/28/85/03/1007288503.db2.gz IEPGSSHIJYOPNW-UHFFFAOYSA-N 1 0 360.458 2.797 20 5 FFBDRO CCOC(=O)N1CCC[C@@H]([C@H](C)[NH2+]CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000776822903 1007429674 /nfs/dbraw/zinc/42/96/74/1007429674.db2.gz KTZWYQNQLRAVIZ-LSDHHAIUSA-N 1 0 365.430 2.820 20 5 FFBDRO CC(C)C[NH2+]C1(CO)CCN(c2ncc([N+](=O)[O-])c3ccccc32)CC1 ZINC000884520837 1007470079 /nfs/dbraw/zinc/47/00/79/1007470079.db2.gz HFHFOJVTYUPUPO-UHFFFAOYSA-N 1 0 358.442 2.720 20 5 FFBDRO O=C(NCCNc1ccccc1[N+](=O)[O-])c1ccc(C[NH+]2CCCC2)o1 ZINC001135881044 1007546528 /nfs/dbraw/zinc/54/65/28/1007546528.db2.gz HQJLZVRKRLFCAV-UHFFFAOYSA-N 1 0 358.398 2.626 20 5 FFBDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000855899416 1007629560 /nfs/dbraw/zinc/62/95/60/1007629560.db2.gz LGPULLWHTJJEKW-ZDUSSCGKSA-N 1 0 355.385 2.923 20 5 FFBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000855903428 1007632546 /nfs/dbraw/zinc/63/25/46/1007632546.db2.gz PATHUHLIJKGMAW-LBPRGKRZSA-N 1 0 364.402 2.662 20 5 FFBDRO CC(C)[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CC[NH2+]1 ZINC000856485462 1007850523 /nfs/dbraw/zinc/85/05/23/1007850523.db2.gz OKDURWQYPHUKMV-KRWDZBQOSA-N 1 0 360.458 2.655 20 5 FFBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)CC1 ZINC000818008854 1007852046 /nfs/dbraw/zinc/85/20/46/1007852046.db2.gz KBFUMAJRVBCKMC-JKSUJKDBSA-N 1 0 374.485 2.888 20 5 FFBDRO CC[N@H+](C)Cc1cc(O[C@H]2CCN(c3nccc(C)c3[N+](=O)[O-])C2)ccn1 ZINC000856533768 1007873632 /nfs/dbraw/zinc/87/36/32/1007873632.db2.gz MISNCHJXHOPQTB-KRWDZBQOSA-N 1 0 371.441 2.803 20 5 FFBDRO C[C@@]1(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CCC[NH2+]C1 ZINC000818572713 1007945931 /nfs/dbraw/zinc/94/59/31/1007945931.db2.gz JQVXIBTWZNQUJZ-LJQANCHMSA-N 1 0 360.458 2.705 20 5 FFBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC[C@]2(C)CCC[NH2+]C2)CC1 ZINC000818573612 1007945980 /nfs/dbraw/zinc/94/59/80/1007945980.db2.gz VASJNPBUZFEXGN-HXUWFJFHSA-N 1 0 374.485 2.951 20 5 FFBDRO CCCNC(=O)c1cccc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000818961400 1007978459 /nfs/dbraw/zinc/97/84/59/1007978459.db2.gz QNMCHEGHQABOLM-GOSISDBHSA-N 1 0 357.410 2.558 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2CCN(c3ccc(F)cc3F)C2)c1 ZINC000819033931 1008027926 /nfs/dbraw/zinc/02/79/26/1008027926.db2.gz UMDXEPZIJWOQDY-KBXCAEBGSA-N 1 0 363.364 2.775 20 5 FFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@@H]2CCCN2Cc2ccccc2)c1 ZINC000819073657 1008037628 /nfs/dbraw/zinc/03/76/28/1008037628.db2.gz WXJOBGJFJNOLAA-PMACEKPBSA-N 1 0 355.438 2.882 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]Cc2nccn2CCc2ccccc2)cc1 ZINC000819143253 1008042299 /nfs/dbraw/zinc/04/22/99/1008042299.db2.gz YGWJQVXMEHFUPR-IBGZPJMESA-N 1 0 366.421 2.857 20 5 FFBDRO COc1ccccc1N1CC[C@@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819151901 1008044594 /nfs/dbraw/zinc/04/45/94/1008044594.db2.gz HMQPFXSPYOVNPW-CRAIPNDOSA-N 1 0 357.410 2.505 20 5 FFBDRO Cc1ccc(C2=NO[C@H](C[NH2+]C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000819292638 1008085206 /nfs/dbraw/zinc/08/52/06/1008085206.db2.gz VDHZROGBVIKMKA-HKUYNNGSSA-N 1 0 355.394 2.719 20 5 FFBDRO O=C(Nc1ccccc1)N1CC[C@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819294292 1008087412 /nfs/dbraw/zinc/08/74/12/1008087412.db2.gz KIBWAOZKWZBROO-WMZOPIPTSA-N 1 0 370.409 2.524 20 5 FFBDRO CN1CC[N@H+](C)Cc2ccc(NC[C@@H](O)c3ccc([N+](=O)[O-])cc3)cc21 ZINC000819466218 1008161060 /nfs/dbraw/zinc/16/10/60/1008161060.db2.gz LOVADGBTDKQAJI-LJQANCHMSA-N 1 0 356.426 2.622 20 5 FFBDRO CCOC(=O)C1=CC[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000858505161 1008371178 /nfs/dbraw/zinc/37/11/78/1008371178.db2.gz GCWJJHYGXSKJOJ-MRXNPFEDSA-N 1 0 359.426 2.805 20 5 FFBDRO CN(CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccc(C[NH+](C)C)cc1 ZINC000859214268 1008488545 /nfs/dbraw/zinc/48/85/45/1008488545.db2.gz HMVMMAAQMCKOMS-UHFFFAOYSA-N 1 0 356.426 2.727 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@H](O)Cc2ccccc2F)n1 ZINC000886675235 1008812114 /nfs/dbraw/zinc/81/21/14/1008812114.db2.gz YUQDTGWBAODFGO-HYVNUMGLSA-N 1 0 362.405 2.607 20 5 FFBDRO COc1cc(Cc2noc([C@H](C(C)C)[C@H](C)[NH3+])n2)c([N+](=O)[O-])c(OC)c1 ZINC000823147137 1008919152 /nfs/dbraw/zinc/91/91/52/1008919152.db2.gz WNCOSRQNJPTBKM-ZUZCIYMTSA-N 1 0 364.402 2.673 20 5 FFBDRO CCc1ccccc1CC[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001178463556 1008997386 /nfs/dbraw/zinc/99/73/86/1008997386.db2.gz HIHKDUKPWRCGSK-RTBURBONSA-N 1 0 361.486 2.723 20 5 FFBDRO Nc1ccc(NC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000823950343 1009276918 /nfs/dbraw/zinc/27/69/18/1009276918.db2.gz IKRFZLQFFBCXID-OAHLLOKOSA-N 1 0 369.425 2.821 20 5 FFBDRO CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(C[NH2+]CCc2ccccc2[N+](=O)[O-])C1 ZINC000823943959 1009287411 /nfs/dbraw/zinc/28/74/11/1009287411.db2.gz QVSWUOZCMOESDV-DNVCBOLYSA-N 1 0 361.442 2.984 20 5 FFBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCc3ccccc3OC2)c2c(c1)COCO2 ZINC000509445895 1009518852 /nfs/dbraw/zinc/51/88/52/1009518852.db2.gz FFCPBNPRCQPFEL-INIZCTEOSA-N 1 0 356.378 2.945 20 5 FFBDRO COc1c(O)ccc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)c1[N+](=O)[O-] ZINC001180112364 1009568760 /nfs/dbraw/zinc/56/87/60/1009568760.db2.gz IQWGUVRYGWVMNJ-HIFRSBDPSA-N 1 0 362.382 2.990 20 5 FFBDRO C[N@@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000861825786 1009574574 /nfs/dbraw/zinc/57/45/74/1009574574.db2.gz YLUHYBVXRWERTG-OALUTQOASA-N 1 0 369.421 2.683 20 5 FFBDRO CC[N@H+](C)[C@H]1CCN(C(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])C1 ZINC001181839382 1010277685 /nfs/dbraw/zinc/27/76/85/1010277685.db2.gz LMWGOOBKSKJYAZ-HNNXBMFYSA-N 1 0 354.410 2.823 20 5 FFBDRO O=[N+]([O-])c1ccc(-n2ccc(-c3nc(CC4CC[NH2+]CC4)no3)n2)c(F)c1 ZINC000863654745 1010277820 /nfs/dbraw/zinc/27/78/20/1010277820.db2.gz MOVDPANNAWSRFP-UHFFFAOYSA-N 1 0 372.360 2.512 20 5 FFBDRO C[C@H](C(=O)NCCCCc1cc[nH+]c(N)c1)c1ccc([N+](=O)[O-])cc1F ZINC001181959198 1010322621 /nfs/dbraw/zinc/32/26/21/1010322621.db2.gz BSAHZRGFIJPVDX-LBPRGKRZSA-N 1 0 360.389 2.954 20 5 FFBDRO CC[NH+](CC)CC1CCN(Cn2c(=O)oc3cccc([N+](=O)[O-])c32)CC1 ZINC000794633600 1010447613 /nfs/dbraw/zinc/44/76/13/1010447613.db2.gz VRCIOPIGJHUAKG-UHFFFAOYSA-N 1 0 362.430 2.514 20 5 FFBDRO CCO[C@H]1C[C@H](N(C)Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C12CCC2 ZINC000794632229 1010448222 /nfs/dbraw/zinc/44/82/22/1010448222.db2.gz GQSZZWSTSYOCOK-GJZGRUSLSA-N 1 0 361.398 2.740 20 5 FFBDRO COc1ccc(C[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)c(C)c1OC ZINC000865705209 1010844994 /nfs/dbraw/zinc/84/49/94/1010844994.db2.gz KCPOQEYNNZMQIL-IBGZPJMESA-N 1 0 360.410 2.918 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2ncn(C[N@@H+]3CCC[C@@H](C[C@@H]4CCOC4)C3)n2)c1 ZINC000773255393 1010898447 /nfs/dbraw/zinc/89/84/47/1010898447.db2.gz AINXNQCOBYUTHX-HOTGVXAUSA-N 1 0 371.441 2.949 20 5 FFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CCO[C@@H](c2ccnn2C)C1 ZINC000866372843 1010984880 /nfs/dbraw/zinc/98/48/80/1010984880.db2.gz VDFYAPOCOCWIJE-CDHAZOANSA-N 1 0 362.405 2.908 20 5 FFBDRO COc1ccc(CNC(=O)NC2CCC(C)([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000868080968 1011160628 /nfs/dbraw/zinc/16/06/28/1011160628.db2.gz JYLOBPSZGHQWLV-UHFFFAOYSA-N 1 0 364.446 2.666 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@H]1c2ccccc2CN1C ZINC000868079539 1011160817 /nfs/dbraw/zinc/16/08/17/1011160817.db2.gz FGNBURUBYDTEKN-KRWDZBQOSA-N 1 0 370.409 2.589 20 5 FFBDRO O=C(NCC[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1cccs1 ZINC001172899973 1012074650 /nfs/dbraw/zinc/07/46/50/1012074650.db2.gz ASTJGMHWFAXQBE-HNNXBMFYSA-N 1 0 359.451 2.923 20 5 FFBDRO [NH3+]C[C@H](CO)c1ccc(N[C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)cc1 ZINC001172907941 1012080037 /nfs/dbraw/zinc/08/00/37/1012080037.db2.gz JUBHRFLGIRZPIX-IEBWSBKVSA-N 1 0 355.438 2.989 20 5 FFBDRO C[C@H]1CC[C@@H](CO)[N@@H+]1C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173009881 1012179003 /nfs/dbraw/zinc/17/90/03/1012179003.db2.gz IVMJKFRONRSMKN-AAEUAGOBSA-N 1 0 355.385 2.687 20 5 FFBDRO C[C@@H]1CCC[N@H+](C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)[C@H]1CO ZINC001173009673 1012179160 /nfs/dbraw/zinc/17/91/60/1012179160.db2.gz HAAJSOCHXHKDPK-PXAZEXFGSA-N 1 0 369.412 2.935 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH2+]CC3(F)CCOCC3)CC2)c(F)c1 ZINC001173011056 1012182273 /nfs/dbraw/zinc/18/22/73/1012182273.db2.gz PJHNGPHYJGBSAL-UHFFFAOYSA-N 1 0 373.375 2.950 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH2+]C[C@H]3CCCOC3)CC2)c(F)c1 ZINC001173012439 1012184855 /nfs/dbraw/zinc/18/48/55/1012184855.db2.gz STDHKCAMDLFHPF-GFCCVEGCSA-N 1 0 355.385 2.858 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(N2CCC([N@H+]3CCCC[C@H]3CO)CC2)c(F)c1 ZINC001173014931 1012185981 /nfs/dbraw/zinc/18/59/81/1012185981.db2.gz WPZYYLHCABUVCK-ZDUSSCGKSA-N 1 0 355.385 2.689 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(N2CCC([N@H+](C3CC3)C3COC3)CC2)c(F)c1 ZINC001173014770 1012186683 /nfs/dbraw/zinc/18/66/83/1012186683.db2.gz AXQNHHNXHCXNQE-UHFFFAOYSA-N 1 0 353.369 2.705 20 5 FFBDRO CN1CC[N@@H+](C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)CC1(C)C ZINC001173016004 1012186749 /nfs/dbraw/zinc/18/67/49/1012186749.db2.gz YOBHQDLNUGXIBV-UHFFFAOYSA-N 1 0 368.428 2.868 20 5 FFBDRO COc1cccc(CC[NH2+][C@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])n1 ZINC001173176371 1012320295 /nfs/dbraw/zinc/32/02/95/1012320295.db2.gz HZURNPZXWVVKQL-GFCCVEGCSA-N 1 0 363.389 2.909 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]Cc2ccn(CCF)n2)c1F ZINC001173179516 1012322597 /nfs/dbraw/zinc/32/25/97/1012322597.db2.gz MQYKLHUVYRRHHR-LLVKDONJSA-N 1 0 354.357 2.629 20 5 FFBDRO CCN(CC)C(=O)[C@H](C)[NH2+][C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173180341 1012323337 /nfs/dbraw/zinc/32/33/37/1012323337.db2.gz VOEVIKVDPRUJGX-RYUDHWBXSA-N 1 0 355.410 2.520 20 5 FFBDRO COC(=O)CCCCC[NH2+][C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173180205 1012324063 /nfs/dbraw/zinc/32/40/63/1012324063.db2.gz UHAQHOPGIMKPBZ-LBPRGKRZSA-N 1 0 356.394 2.997 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2CCC[C@@](O)(CF)CC2)c1F ZINC001173180150 1012325249 /nfs/dbraw/zinc/32/52/49/1012325249.db2.gz ITYXVFXDQMKBII-PXAZEXFGSA-N 1 0 358.385 2.860 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CCN2CCC[C@@H](F)C2)c1F ZINC001173183703 1012326802 /nfs/dbraw/zinc/32/68/02/1012326802.db2.gz NGLDPEMGUOHSNQ-QWHCGFSZSA-N 1 0 357.401 2.697 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CC[C@]3(CC[N@H+](C)C3)C2)c1F ZINC001173192452 1012334447 /nfs/dbraw/zinc/33/44/47/1012334447.db2.gz LDFMQNNHLZSCTN-ACJLOTCBSA-N 1 0 351.422 2.701 20 5 FFBDRO COC(=O)[C@@H]1C[C@H](C)C[N@@H+]([C@@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C1 ZINC001173197247 1012340537 /nfs/dbraw/zinc/34/05/37/1012340537.db2.gz RUPYHRRAZLPIBU-RWMBFGLXSA-N 1 0 368.405 2.805 20 5 FFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@]2(CCN2c2ncccn2)C1 ZINC001173222944 1012355318 /nfs/dbraw/zinc/35/53/18/1012355318.db2.gz DQNYTBZKAOSCHU-KXBFYZLASA-N 1 0 353.426 2.671 20 5 FFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cccc(N2CCOCC2=O)c1 ZINC001173224172 1012357996 /nfs/dbraw/zinc/35/79/96/1012357996.db2.gz MNPWDKKBKYGMCJ-HNNXBMFYSA-N 1 0 369.421 2.679 20 5 FFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@H]2CN(C(=O)c3ccco3)C[C@H]2C1 ZINC001173226179 1012361534 /nfs/dbraw/zinc/36/15/34/1012361534.db2.gz LBQVVCULMUJDJX-OIISXLGYSA-N 1 0 369.421 2.823 20 5 FFBDRO CCOC[C@@H]1Cn2nccc2C[N@@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173227428 1012362251 /nfs/dbraw/zinc/36/22/51/1012362251.db2.gz OGWJQOHYLNGZKW-WBVHZDCISA-N 1 0 358.442 2.891 20 5 FFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC001173229112 1012363259 /nfs/dbraw/zinc/36/32/59/1012363259.db2.gz PZQUSEGKGZKMQL-HYVNUMGLSA-N 1 0 353.422 2.807 20 5 FFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCN(c2ccc(Cl)nn2)CC1 ZINC001173230212 1012364390 /nfs/dbraw/zinc/36/43/90/1012364390.db2.gz CTHFJZHBBHPUAN-ZDUSSCGKSA-N 1 0 361.833 2.791 20 5 FFBDRO COc1ccnc(N2CC[NH+]([C@@H](C)Cc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC001173237744 1012386400 /nfs/dbraw/zinc/38/64/00/1012386400.db2.gz LULHKVFJUKVXKU-HNNXBMFYSA-N 1 0 356.426 2.752 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C3CC(OCc4ccccc4)C3)CC2)cn1 ZINC000929171122 1019301994 /nfs/dbraw/zinc/30/19/94/1019301994.db2.gz FPMFGZJTBUHCHO-UHFFFAOYSA-N 1 0 368.437 2.860 20 5 FFBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000801836643 1019433921 /nfs/dbraw/zinc/43/39/21/1019433921.db2.gz POWUJVISLNVLMR-OCCSQVGLSA-N 1 0 372.400 2.881 20 5 FFBDRO C[NH+](C)CCOc1cccc(NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)c1 ZINC000801862422 1019460270 /nfs/dbraw/zinc/46/02/70/1019460270.db2.gz QZJJISIBMGQOGV-UHFFFAOYSA-N 1 0 362.361 2.509 20 5 FFBDRO O=[N+]([O-])c1cn(CN2CC[C@H](Cc3nccs3)C2)nc1-c1ccccn1 ZINC000902649372 1020373253 /nfs/dbraw/zinc/37/32/53/1020373253.db2.gz JZUXFKSYZVOODA-CYBMUJFWSA-N 1 0 370.438 2.832 20 5 FFBDRO C/C(=C\C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000800651088 1020440275 /nfs/dbraw/zinc/44/02/75/1020440275.db2.gz VVNODLNCECKBLA-MAUBAPBLSA-N 1 0 373.453 2.569 20 5 FFBDRO C[NH+](C)CCN(Cc1ccco1)C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778034620 1020608678 /nfs/dbraw/zinc/60/86/78/1020608678.db2.gz CGYFIPLRNDWALC-UHFFFAOYSA-N 1 0 367.352 2.870 20 5 FFBDRO COC(=O)c1cc(Br)cc([N+](=O)[O-])c1O[C@H]1CCCC[NH2+]C1 ZINC001217970497 1032924525 /nfs/dbraw/zinc/92/45/25/1032924525.db2.gz HDTPNJYYQJCLQR-JTQLQIEISA-N 1 0 373.203 2.665 20 5 FFBDRO COc1cc([C@H](C)[NH2+][C@H]2CCCN(c3cc(C)nn3C)C2)cc([N+](=O)[O-])c1 ZINC000903161535 1020709753 /nfs/dbraw/zinc/70/97/53/1020709753.db2.gz UKTSOWQIUZSSHA-HOCLYGCPSA-N 1 0 373.457 2.965 20 5 FFBDRO O=[N+]([O-])c1cc(O[C@@H]2C[NH2+]CCC[C@@H]2F)c(Br)cc1F ZINC001217971427 1032924765 /nfs/dbraw/zinc/92/47/65/1032924765.db2.gz IBMRJVMYWHBCMR-QPUJVOFHSA-N 1 0 351.147 2.965 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(c2ccn(C)n2)CC1 ZINC000932143443 1020722455 /nfs/dbraw/zinc/72/24/55/1020722455.db2.gz OEEMEOPKSGMHBW-UHFFFAOYSA-N 1 0 371.441 2.845 20 5 FFBDRO COc1ccc(OCC[NH+]2CCC(c3ccn(C)n3)CC2)c([N+](=O)[O-])c1 ZINC000932145817 1020724291 /nfs/dbraw/zinc/72/42/91/1020724291.db2.gz ZGUOFFBXYNLDPW-UHFFFAOYSA-N 1 0 360.414 2.595 20 5 FFBDRO CCOc1ccc([C@H](C)[NH2+]CC2(C3(O)CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000903350857 1020799948 /nfs/dbraw/zinc/79/99/48/1020799948.db2.gz ZHHUEROXELJUAH-AWEZNQCLSA-N 1 0 364.442 2.966 20 5 FFBDRO C[C@@H]1C[N@H+](Cc2cccnc2[N+](=O)[O-])CC[C@H]1CNC(=O)OC(C)(C)C ZINC000932709607 1020880681 /nfs/dbraw/zinc/88/06/81/1020880681.db2.gz JUGQOYSZLABFNR-KGLIPLIRSA-N 1 0 364.446 2.973 20 5 FFBDRO Cc1csc(C[C@H]2CCN(CC(=O)N(C)c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000933134142 1020960529 /nfs/dbraw/zinc/96/05/29/1020960529.db2.gz LCDLSNDGWAHYPJ-CQSZACIVSA-N 1 0 374.466 2.887 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H](CO)c2ccccc2C(F)(F)F)c1 ZINC000933241521 1020983447 /nfs/dbraw/zinc/98/34/47/1020983447.db2.gz MRRFPAYRPKGRQV-JKSUJKDBSA-N 1 0 370.327 2.970 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C2CCN(CCc3ccccc3)CC2)c1 ZINC000749675148 1021018863 /nfs/dbraw/zinc/01/88/63/1021018863.db2.gz XMMIQRTVESFAEI-OAQYLSRUSA-N 1 0 369.465 2.925 20 5 FFBDRO C[C@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)N1CCc2ccccc2C1 ZINC000749675382 1021018948 /nfs/dbraw/zinc/01/89/48/1021018948.db2.gz YWDRWNSCRDPUIS-QRWLVFNGSA-N 1 0 355.438 2.665 20 5 FFBDRO C[NH+](C)CCN(Cc1ccco1)C(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC000934493601 1021261187 /nfs/dbraw/zinc/26/11/87/1021261187.db2.gz WXUPJAIWIWNWOI-UHFFFAOYSA-N 1 0 363.389 2.850 20 5 FFBDRO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC001116526987 1021263834 /nfs/dbraw/zinc/26/38/34/1021263834.db2.gz KSEGLNKMPYUYOQ-RYUDHWBXSA-N 1 0 357.357 2.799 20 5 FFBDRO C[C@H]1C[C@H](Oc2ccc(I)cc2[N+](=O)[O-])CC[NH2+]1 ZINC001218061758 1032975107 /nfs/dbraw/zinc/97/51/07/1032975107.db2.gz QKTLMZPOQDYEQG-WCBMZHEXSA-N 1 0 362.167 2.719 20 5 FFBDRO O=[N+]([O-])c1ccc(O[C@H]2C[C@H]3C[NH2+]C[C@H]3C2)cc1I ZINC001218133657 1033013502 /nfs/dbraw/zinc/01/35/02/1033013502.db2.gz BXJQONBSMDPYIB-DOFRTFSJSA-N 1 0 374.178 2.576 20 5 FFBDRO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC001118638754 1022330044 /nfs/dbraw/zinc/33/00/44/1022330044.db2.gz FYJALPNEFLCLBP-CMPLNLGQSA-N 1 0 355.826 2.825 20 5 FFBDRO COc1cc(C[NH2+][C@@H](C)c2ccc3c(c2)CC(=O)N3C)ccc1[N+](=O)[O-] ZINC000778961819 1022585538 /nfs/dbraw/zinc/58/55/38/1022585538.db2.gz WFTWPTPZJNHLLM-LBPRGKRZSA-N 1 0 355.394 2.973 20 5 FFBDRO O=C(c1c(Br)cccc1[N+](=O)[O-])N1CC[C@]2(C1)CCCC[NH2+]2 ZINC001122232401 1023131369 /nfs/dbraw/zinc/13/13/69/1023131369.db2.gz PQGGFMXZBQMVBE-HNNXBMFYSA-N 1 0 368.231 2.716 20 5 FFBDRO [NH3+]C[C@]12CC[C@H]1CCCN2C(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC001122270668 1023158934 /nfs/dbraw/zinc/15/89/34/1023158934.db2.gz VIZFEBHNIGCLLS-CXAGYDPISA-N 1 0 351.834 2.911 20 5 FFBDRO O=[N+]([O-])c1c2c(cc(Br)c1O[C@@H]1C[C@H]3C[NH2+]C[C@@H]31)CCC2 ZINC001218329647 1033109621 /nfs/dbraw/zinc/10/96/21/1033109621.db2.gz DIOWVJBDKHWNHG-XHVZSJERSA-N 1 0 353.216 2.833 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC001122323141 1023189067 /nfs/dbraw/zinc/18/90/67/1023189067.db2.gz HRTSWADVYSCQKD-SJCJKPOMSA-N 1 0 367.833 2.760 20 5 FFBDRO C[C@@]([NH3+])(C(=O)N[C@H]1Cc2ccc(Cl)cc2C1)c1cccc([N+](=O)[O-])c1 ZINC001122419221 1023256216 /nfs/dbraw/zinc/25/62/16/1023256216.db2.gz YMPBAHZHOLDDTF-YJBOKZPZSA-N 1 0 359.813 2.706 20 5 FFBDRO O=C1NC2(CO1)CC[NH+](Cc1ccc(-c3cccc([N+](=O)[O-])c3)o1)CC2 ZINC000753586233 1023356208 /nfs/dbraw/zinc/35/62/08/1023356208.db2.gz GEPWEFWSGZUVGB-UHFFFAOYSA-N 1 0 357.366 2.929 20 5 FFBDRO CCC(C)(C)c1cc([N+](=O)[O-])c(OCCO[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001218392588 1033133627 /nfs/dbraw/zinc/13/36/27/1033133627.db2.gz GBWXRIIFCQMJCE-CYBMUJFWSA-N 1 0 367.402 2.948 20 5 FFBDRO COC(=O)c1cc(Br)cc([N+](=O)[O-])c1O[C@@H]1CC[C@H](C)[NH2+]C1 ZINC001218391702 1033133933 /nfs/dbraw/zinc/13/39/33/1033133933.db2.gz GDPMRBAGJCTIFV-WCBMZHEXSA-N 1 0 373.203 2.663 20 5 FFBDRO CCC1([NH+]2CCC2)CCN(c2nnc([C@H](C)[N+](=O)[O-])n2CC(C)C)CC1 ZINC001122823402 1023496571 /nfs/dbraw/zinc/49/65/71/1023496571.db2.gz ZODQDQMZSMRDBE-HNNXBMFYSA-N 1 0 364.494 2.727 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2ncn(C[N@@H+]3CC[C@@H](C4CCOCC4)C3)n2)c1 ZINC000754778722 1023515757 /nfs/dbraw/zinc/51/57/57/1023515757.db2.gz MBUDPDARXOFQGG-MRXNPFEDSA-N 1 0 357.414 2.559 20 5 FFBDRO C[C@@]1(COC(=O)Cn2cc([N+](=O)[O-])cn2)CCCC[N@@H+]1Cc1ccccc1 ZINC000755917310 1023650468 /nfs/dbraw/zinc/65/04/68/1023650468.db2.gz WDEKIYBECVAUET-IBGZPJMESA-N 1 0 372.425 2.779 20 5 FFBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC1CCN(c2cc[nH+]cc2)CC1 ZINC001121299678 1023694984 /nfs/dbraw/zinc/69/49/84/1023694984.db2.gz DVFHGJHJOJMNGJ-UHFFFAOYSA-N 1 0 358.373 2.836 20 5 FFBDRO COC(=O)c1cccc([N+](=O)[O-])c1COC1CCN(c2cc[nH+]cc2)CC1 ZINC001222773892 1033155879 /nfs/dbraw/zinc/15/58/79/1033155879.db2.gz MLNYRLXSBCRXKD-UHFFFAOYSA-N 1 0 371.393 2.962 20 5 FFBDRO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)[C@H]2C1 ZINC001123302012 1023731485 /nfs/dbraw/zinc/73/14/85/1023731485.db2.gz VGULQNHDBBOSEU-DLOVCJGASA-N 1 0 370.356 2.658 20 5 FFBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2c3ccc(C)cc3[C@H]3C[N@@H+](C)CC[C@H]32)n1 ZINC000756624640 1023737055 /nfs/dbraw/zinc/73/70/55/1023737055.db2.gz BMSIWOMFRRLRQT-GDBMZVCRSA-N 1 0 369.425 2.568 20 5 FFBDRO O=[N+]([O-])c1cc(O[C@@H]2CC[C@H]3C[NH2+]C[C@@H]32)ccc1I ZINC001218461825 1033166417 /nfs/dbraw/zinc/16/64/17/1033166417.db2.gz UKBQICSVMVSAGY-GMOODISLSA-N 1 0 374.178 2.576 20 5 FFBDRO CC[NH+](CC)CC[C@H](C)NC(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC001123733652 1023975299 /nfs/dbraw/zinc/97/52/99/1023975299.db2.gz LBMUXDNLTPZVAZ-ZDUSSCGKSA-N 1 0 352.435 2.523 20 5 FFBDRO O=C(Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001122071703 1024318020 /nfs/dbraw/zinc/31/80/20/1024318020.db2.gz YLWSAFAMKIHYAZ-QRVBRYPASA-N 1 0 367.405 2.998 20 5 FFBDRO CC[NH+](CC)[C@@H](CNC(=O)c1[nH]nc([N+](=O)[O-])c1Cl)c1ccccc1 ZINC001141284951 1025761304 /nfs/dbraw/zinc/76/13/04/1025761304.db2.gz OHWVROAMJAFRSX-LBPRGKRZSA-N 1 0 365.821 2.784 20 5 FFBDRO Cc1cc(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)ccc1OCC[NH+](C)C ZINC000838174457 1026241976 /nfs/dbraw/zinc/24/19/76/1026241976.db2.gz LSVAGMJTIYKXFP-UHFFFAOYSA-N 1 0 358.398 2.678 20 5 FFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@]1(O)CCc2ccccc21 ZINC000090795689 1026440027 /nfs/dbraw/zinc/44/00/27/1026440027.db2.gz IEPVORXCKGZULJ-VBKZILBWSA-N 1 0 369.421 2.736 20 5 FFBDRO Nc1c(C(=O)N2CC[NH+](C3CCCC3)CC2)cc(Cl)c(F)c1[N+](=O)[O-] ZINC001141497408 1026451132 /nfs/dbraw/zinc/45/11/32/1026451132.db2.gz ODHTYQNNHHEQEM-UHFFFAOYSA-N 1 0 370.812 2.670 20 5 FFBDRO C[C@H]1CN(c2ccccc2CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000839097595 1026588424 /nfs/dbraw/zinc/58/84/24/1026588424.db2.gz QLNUVLWYTRSGRF-INIZCTEOSA-N 1 0 370.453 2.785 20 5 FFBDRO CN(CCC[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000839655188 1026777147 /nfs/dbraw/zinc/77/71/47/1026777147.db2.gz TVOPXJOUEBRWOF-INIZCTEOSA-N 1 0 367.446 2.817 20 5 FFBDRO O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1N1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001159010667 1027227858 /nfs/dbraw/zinc/22/78/58/1027227858.db2.gz KZVCEZIEIJJCDI-UHFFFAOYSA-N 1 0 374.828 2.523 20 5 FFBDRO C[NH+]1CCC2(CCC(NC(=O)CNc3ccccc3[N+](=O)[O-])CC2)CC1 ZINC001159520140 1027417889 /nfs/dbraw/zinc/41/78/89/1027417889.db2.gz ZMADJIFMCWMFLA-UHFFFAOYSA-N 1 0 360.458 2.778 20 5 FFBDRO COc1nc(C)c([N+](=O)[O-])c(N[C@@H](Cc2ccccc2)C[NH+]2CCCC2)n1 ZINC001159654138 1027455325 /nfs/dbraw/zinc/45/53/25/1027455325.db2.gz QTJXIBLYYJXYBK-INIZCTEOSA-N 1 0 371.441 2.821 20 5 FFBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N(Cc1ccccc1)C[C@H](C)C[NH3+] ZINC001160666475 1027793584 /nfs/dbraw/zinc/79/35/84/1027793584.db2.gz YHOFMGUFUVYLDK-CQSZACIVSA-N 1 0 372.425 2.768 20 5 FFBDRO [NH3+]C1(c2cccnc2)CCN(c2nc(Cl)nc(Cl)c2[N+](=O)[O-])CC1 ZINC001161584051 1028239699 /nfs/dbraw/zinc/23/96/99/1028239699.db2.gz QIDUWBMDQFLDFU-UHFFFAOYSA-N 1 0 369.212 2.541 20 5 FFBDRO C[NH+](C)CC(=O)N[C@H]1CC[C@H](Nc2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC001161670585 1028275517 /nfs/dbraw/zinc/27/55/17/1028275517.db2.gz XWPUDNCVIIWOTN-SHTZXODSSA-N 1 0 371.441 2.544 20 5 FFBDRO CC1(C)C[NH2+]C[C@H](CNc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)O1 ZINC001161956257 1028375789 /nfs/dbraw/zinc/37/57/89/1028375789.db2.gz HDWRUNZJFZNOFB-CQSZACIVSA-N 1 0 360.389 2.975 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)ncnc2N1CC[N@@H+]2CCc3ccccc3[C@H]2C1 ZINC001155090612 1028574982 /nfs/dbraw/zinc/57/49/82/1028574982.db2.gz GVOIYCLASAHRPC-LJQANCHMSA-N 1 0 361.405 2.957 20 5 FFBDRO [NH3+]C[C@@H]1Cc2ccccc2CN1c1ccc(-c2ccc([N+](=O)[O-])cc2)nn1 ZINC001162744794 1028642156 /nfs/dbraw/zinc/64/21/56/1028642156.db2.gz FATJZHBUNLYTED-SFHVURJKSA-N 1 0 361.405 2.942 20 5 FFBDRO O=[N+]([O-])c1ccc(NC[C@@H]2OC[C@H]3C[NH2+]CC[C@H]32)nc1-c1ccccc1 ZINC001155525688 1028777657 /nfs/dbraw/zinc/77/76/57/1028777657.db2.gz OLZWUOBPQZXKAR-INMHGKMJSA-N 1 0 354.410 2.693 20 5 FFBDRO Cc1cc(NCC[C@H]2CCOC23C[NH2+]C3)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001163087633 1028791130 /nfs/dbraw/zinc/79/11/30/1028791130.db2.gz QHWRWHUUWGKUJN-HNNXBMFYSA-N 1 0 369.425 2.541 20 5 FFBDRO C[C@@H](CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)[NH+]1CCCCC1 ZINC000780763424 1028799876 /nfs/dbraw/zinc/79/98/76/1028799876.db2.gz BZCASKLTVYQNMG-MAUKXSAKSA-N 1 0 357.458 2.882 20 5 FFBDRO Cc1cc(NCc2noc3c2C[NH2+]CC3)c([N+](=O)[O-])cc1Br ZINC001163135173 1028819858 /nfs/dbraw/zinc/81/98/58/1028819858.db2.gz SWSKKUREYOGKRO-UHFFFAOYSA-N 1 0 367.203 2.912 20 5 FFBDRO Cc1ccc(-c2ccc(N[C@@H]3CCO[C@@]4(CC[NH2+]C4)C3)nn2)cc1[N+](=O)[O-] ZINC001155626190 1028823781 /nfs/dbraw/zinc/82/37/81/1028823781.db2.gz SATNEBQQPZGWDB-BEFAXECRSA-N 1 0 369.425 2.683 20 5 FFBDRO COCCC1([NH3+])CCN(C(=O)c2ccnc3c2ccc2cccnc23)CC1 ZINC001155821483 1028928219 /nfs/dbraw/zinc/92/82/19/1028928219.db2.gz ZKDOHLLQHHNBGZ-UHFFFAOYSA-N 1 0 364.449 2.753 20 5 FFBDRO COC(=O)c1ccnc(-n2c(C)c(C)c3cc(C[NH3+])ccc32)c1[N+](=O)[O-] ZINC001155902252 1028967154 /nfs/dbraw/zinc/96/71/54/1028967154.db2.gz MJPRZVPRLJBDQI-UHFFFAOYSA-N 1 0 354.366 2.796 20 5 FFBDRO Cc1c(C)c(-n2ccc3cc(N4CC[NH2+]CC4)ccc32)ncc1[N+](=O)[O-] ZINC001156215297 1029094870 /nfs/dbraw/zinc/09/48/70/1029094870.db2.gz IMXJACOHGCCSIQ-UHFFFAOYSA-N 1 0 351.410 2.960 20 5 FFBDRO Nc1cc(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)ncc1[N+](=O)[O-] ZINC001156317358 1029141988 /nfs/dbraw/zinc/14/19/88/1029141988.db2.gz LYJUSNZELZZLQZ-HLLBOEOZSA-N 1 0 353.426 2.895 20 5 FFBDRO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1N(C)c1ncc([N+](=O)[O-])cc1N ZINC001156341914 1029155892 /nfs/dbraw/zinc/15/58/92/1029155892.db2.gz RTNNQCSVBOIDRF-KSSFIOAISA-N 1 0 355.442 2.919 20 5 FFBDRO CS(=O)(=O)N(c1cccc(C[NH3+])c1)c1ncc([N+](=O)[O-])c2ccccc21 ZINC001156485934 1029213083 /nfs/dbraw/zinc/21/30/83/1029213083.db2.gz GLPJVWVACYPLNM-UHFFFAOYSA-N 1 0 372.406 2.699 20 5 FFBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1NCC1CC[NH+](C(C)C)CC1 ZINC001156501414 1029222296 /nfs/dbraw/zinc/22/22/96/1029222296.db2.gz PGHNMKJJSGMUQR-UHFFFAOYSA-N 1 0 350.419 2.699 20 5 FFBDRO COc1nc(N(C)[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C)ncc1[N+](=O)[O-] ZINC001165184599 1029440265 /nfs/dbraw/zinc/44/02/65/1029440265.db2.gz XQFHDLZIBPQBPZ-PBHICJAKSA-N 1 0 371.441 2.740 20 5 FFBDRO C[N@@H+]1CCC[C@@H]2CN(c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)nn3)C[C@@H]21 ZINC001157282990 1029535836 /nfs/dbraw/zinc/53/58/36/1029535836.db2.gz SCKLPJXAZVFGPE-DYVFJYSZSA-N 1 0 357.389 2.721 20 5 FFBDRO Cn1ccnc1CCNC(=O)[C@@H]([NH3+])Cc1c2ccccc2cc2ccccc21 ZINC001157420861 1029580831 /nfs/dbraw/zinc/58/08/31/1029580831.db2.gz BMNZVFRMYCAQCC-NRFANRHFSA-N 1 0 372.472 2.955 20 5 FFBDRO O=[N+]([O-])c1c(Cl)cc(Cl)nc1N(c1cnccn1)C1CC[NH2+]CC1 ZINC001157541179 1029612691 /nfs/dbraw/zinc/61/26/91/1029612691.db2.gz JFJKJCCQSCPHHG-UHFFFAOYSA-N 1 0 369.212 2.977 20 5 FFBDRO CCOC(=O)CN(CCC[NH3+])c1cc(Cl)nc2ccc([N+](=O)[O-])cc21 ZINC001157549094 1029615257 /nfs/dbraw/zinc/61/52/57/1029615257.db2.gz FCKKADUBDGYIAX-UHFFFAOYSA-N 1 0 366.805 2.515 20 5 FFBDRO CCC[N@H+]1C[C@H]2CN(C(F)(F)c3ccc([N+](=O)[O-])c(Cl)n3)C[C@H]2C1 ZINC001157692605 1029647153 /nfs/dbraw/zinc/64/71/53/1029647153.db2.gz XEQYHTQUBBZLFS-PHIMTYICSA-N 1 0 360.792 2.966 20 5 FFBDRO [NH3+][C@H]1CCc2nn(-c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)nn3)cc2C1 ZINC001157987351 1029702619 /nfs/dbraw/zinc/70/26/19/1029702619.db2.gz LAVGVGRLYLCSLH-LBPRGKRZSA-N 1 0 370.800 2.707 20 5 FFBDRO C[C@](CO)([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)c1ccccc1 ZINC000782496985 1029721754 /nfs/dbraw/zinc/72/17/54/1029721754.db2.gz YVQXGWDFYNUNFD-GOSISDBHSA-N 1 0 361.373 2.560 20 5 FFBDRO Cc1c[nH+]ccc1N1CCN(c2cc(/C=C/N(C)C)c([N+](=O)[O-])cn2)CC1 ZINC001158107833 1029735758 /nfs/dbraw/zinc/73/57/58/1029735758.db2.gz JLXAJWPRVRLNKV-FNORWQNLSA-N 1 0 368.441 2.552 20 5 FFBDRO COc1nc(C)c([N+](=O)[O-])c(N2C[C@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC001165202758 1029889502 /nfs/dbraw/zinc/88/95/02/1029889502.db2.gz OEJRAQUOLMZUNB-KBPBESRZSA-N 1 0 371.441 2.801 20 5 FFBDRO Cc1ccc(-c2nc3sccc3c(N3C[C@@H]4[C@H]([NH3+])[C@@H]4C3)n2)cc1[N+](=O)[O-] ZINC001165384399 1029962176 /nfs/dbraw/zinc/96/21/76/1029962176.db2.gz FTZOBOQTZKTTDE-AGGWBTHJSA-N 1 0 367.434 2.968 20 5 FFBDRO CC(C)(C)N(c1cc([N+](=O)[O-])c2cc[nH]c2n1)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001165668447 1030074381 /nfs/dbraw/zinc/07/43/81/1030074381.db2.gz ATPTVJBAUIHJOR-ZDUSSCGKSA-N 1 0 373.457 2.987 20 5 FFBDRO CC1([C@H]2CCC[N@H+](Cn3cc(-c4ccc([N+](=O)[O-])cc4)cn3)C2)OCCO1 ZINC000784039757 1030435394 /nfs/dbraw/zinc/43/53/94/1030435394.db2.gz VBTMDHMULBWNTI-KRWDZBQOSA-N 1 0 372.425 2.891 20 5 FFBDRO O=C1NC2(CC[NH2+]CC2)N(c2nccc(Cl)c2[N+](=O)[O-])c2ccccc21 ZINC001166807975 1030526049 /nfs/dbraw/zinc/52/60/49/1030526049.db2.gz UDJXXAMPJAIVPI-UHFFFAOYSA-N 1 0 373.800 2.604 20 5 FFBDRO C[N@@H+](CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C[C@@H]1CC=CCC1 ZINC000784394517 1030602722 /nfs/dbraw/zinc/60/27/22/1030602722.db2.gz TXJOLXLOTXSFPA-QGZVFWFLSA-N 1 0 372.469 2.532 20 5 FFBDRO O=[N+]([O-])c1cc2ccccc2nc1-n1ncc2cc(N3CC[NH2+]CC3)ccc21 ZINC001167022020 1030615475 /nfs/dbraw/zinc/61/54/75/1030615475.db2.gz ZDPIOEJISANLOA-UHFFFAOYSA-N 1 0 374.404 2.892 20 5 FFBDRO O=C(CCN1CCCC[C@@H]1[C@@H]1CCC[NH2+]1)Nc1cc([N+](=O)[O-])ccc1F ZINC000842473106 1030748321 /nfs/dbraw/zinc/74/83/21/1030748321.db2.gz PSORPNPXYLGNQQ-DOTOQJQBSA-N 1 0 364.421 2.669 20 5 FFBDRO C[N@H+](Cn1ncc2ccc([N+](=O)[O-])cc21)C[C@@]1(O)CCc2ccccc21 ZINC000842626627 1030850808 /nfs/dbraw/zinc/85/08/08/1030850808.db2.gz WIVMVUGNXIVZAU-IBGZPJMESA-N 1 0 352.394 2.668 20 5 FFBDRO CC(C)NC(=O)OC[C@H]1CCCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000796703622 1030887519 /nfs/dbraw/zinc/88/75/19/1030887519.db2.gz BMYOBZVNNWJNST-MRXNPFEDSA-N 1 0 365.430 2.963 20 5 FFBDRO CC(C)NC(=O)OC[C@@H]1CCCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000796719257 1030894027 /nfs/dbraw/zinc/89/40/27/1030894027.db2.gz YMOGDEHYAHNBMT-DLBZAZTESA-N 1 0 365.430 2.617 20 5 FFBDRO CC(C)NC(=O)OC[C@H]1CCCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000796719265 1030895519 /nfs/dbraw/zinc/89/55/19/1030895519.db2.gz YMOGDEHYAHNBMT-SJORKVTESA-N 1 0 365.430 2.617 20 5 FFBDRO COC(=O)N1CCC(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000797093299 1030996024 /nfs/dbraw/zinc/99/60/24/1030996024.db2.gz GQKVRYNZPSMDKM-QGZVFWFLSA-N 1 0 361.442 2.984 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@]2(CO)C[C@@H]2c2ccc(F)cc2)c1 ZINC000843110881 1031188385 /nfs/dbraw/zinc/18/83/85/1031188385.db2.gz OWDDMMQIYDIROG-QRVBRYPASA-N 1 0 360.385 2.523 20 5 FFBDRO Cc1cc(C(=O)N2CCC[C@H]2c2nc([C@H]([NH3+])C(C)C)no2)ccc1[N+](=O)[O-] ZINC000843151180 1031214859 /nfs/dbraw/zinc/21/48/59/1031214859.db2.gz CXNSUKVYSHPWOU-LSDHHAIUSA-N 1 0 373.413 2.919 20 5 FFBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[NH2+]C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000843498902 1031430746 /nfs/dbraw/zinc/43/07/46/1031430746.db2.gz VUMQCVYMZSLAGQ-KRWDZBQOSA-N 1 0 370.365 2.598 20 5 FFBDRO Nc1ccc(C(=O)NCc2ccc(Nc3cc[nH+]cc3)cc2)cc1[N+](=O)[O-] ZINC001149339148 1031489389 /nfs/dbraw/zinc/48/93/89/1031489389.db2.gz GDROACBTUQMCQG-UHFFFAOYSA-N 1 0 363.377 2.668 20 5 FFBDRO CCC(CC)(C[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)OC ZINC001205335102 1031678477 /nfs/dbraw/zinc/67/84/77/1031678477.db2.gz PGJAUIGUARSUGS-CYBMUJFWSA-N 1 0 365.430 2.881 20 5 FFBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](C[C@H](O)c3ccc(F)cn3)CC2)cc1 ZINC000799304752 1031728393 /nfs/dbraw/zinc/72/83/93/1031728393.db2.gz ZXBOGNDVNSEGPU-SFHVURJKSA-N 1 0 361.373 2.706 20 5 FFBDRO Cc1cc(F)ccc1C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCCC1 ZINC001115530626 1031787159 /nfs/dbraw/zinc/78/71/59/1031787159.db2.gz IAMCBOBUCBCSRJ-IAGOWNOFSA-N 1 0 363.433 2.708 20 5 FFBDRO O=C(CCn1cc([N+](=O)[O-])cn1)OC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000799632612 1031844761 /nfs/dbraw/zinc/84/47/61/1031844761.db2.gz OEXPPEHJLRHBMW-QGZVFWFLSA-N 1 0 372.425 2.779 20 5 FFBDRO O=C(CCn1cc([N+](=O)[O-])cn1)OC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000799632611 1031846871 /nfs/dbraw/zinc/84/68/71/1031846871.db2.gz OEXPPEHJLRHBMW-KRWDZBQOSA-N 1 0 372.425 2.779 20 5 FFBDRO CCc1n[nH]c(C(=O)N2CCC[C@@H]2CC[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC001151737587 1032017858 /nfs/dbraw/zinc/01/78/58/1032017858.db2.gz FBWBUWUCCGHQOT-CQSZACIVSA-N 1 0 363.462 2.607 20 5 FFBDRO [NH3+][C@@H](Cc1cccc(O)c1)C(=O)Nc1cc2cccnc2c2ncccc12 ZINC001218979116 1033441294 /nfs/dbraw/zinc/44/12/94/1033441294.db2.gz CZTUXZMNTYQAHO-KRWDZBQOSA-N 1 0 358.401 2.997 20 5 FFBDRO COC(=O)[C@@H](OC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1[N+](=O)[O-] ZINC001223644552 1033533759 /nfs/dbraw/zinc/53/37/59/1033533759.db2.gz WAGDHYFZALRGTK-SFHVURJKSA-N 1 0 371.393 2.890 20 5 FFBDRO C[N+](C)(C)C[C@H](O)CC(=O)OC12C=CC(c3ccccc31)c1ccccc12 ZINC001223854024 1033613320 /nfs/dbraw/zinc/61/33/20/1033613320.db2.gz WCFNGLCEOOMDNI-LNCJBJJNSA-N 1 0 364.465 2.946 20 5 FFBDRO C[NH+](C)CCn1ccc(NC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)n1 ZINC001219538622 1033680904 /nfs/dbraw/zinc/68/09/04/1033680904.db2.gz DUDOOXPTHJPDFK-UHFFFAOYSA-N 1 0 369.385 2.545 20 5 FFBDRO COc1ccc(NC(=O)N2CCN(c3cc[nH+]cc3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC001219572452 1033696296 /nfs/dbraw/zinc/69/62/96/1033696296.db2.gz PETKYLRFCUNOGC-ZDUSSCGKSA-N 1 0 371.397 2.741 20 5 FFBDRO C[C@H]1C[NH2+]C[C@@H](CNC(=O)c2ccc3oc4ccccc4c(=O)c3c2)C1 ZINC001219667064 1033739717 /nfs/dbraw/zinc/73/97/17/1033739717.db2.gz SSPWCUOINLUNJO-KGLIPLIRSA-N 1 0 350.418 2.922 20 5 FFBDRO O=C(CC[N@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O)Nc1cc([N+](=O)[O-])ccc1F ZINC000831164323 1033974907 /nfs/dbraw/zinc/97/49/07/1033974907.db2.gz BTQJKKYMSBJTQX-XYPHTWIQSA-N 1 0 365.405 2.688 20 5 FFBDRO C[NH+](C)[C@@H]1CCOc2c(NC(=O)[C@H](O)c3cccc([N+](=O)[O-])c3)cccc21 ZINC000831392725 1034062163 /nfs/dbraw/zinc/06/21/63/1034062163.db2.gz JLHKZUYPVWKXMV-IAGOWNOFSA-N 1 0 371.393 2.652 20 5 FFBDRO C[C@@H](C[N+](C)(C)C)OC[C@@H]1CC2(CO1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001225120031 1034136143 /nfs/dbraw/zinc/13/61/43/1034136143.db2.gz KOEWIVAAIYVYJR-IRXDYDNUSA-N 1 0 371.542 2.904 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(OC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)n1 ZINC001227062132 1034923624 /nfs/dbraw/zinc/92/36/24/1034923624.db2.gz GIRIOEIYYLFXQH-QGZVFWFLSA-N 1 0 357.410 2.968 20 5 FFBDRO O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001140097019 1035341036 /nfs/dbraw/zinc/34/10/36/1035341036.db2.gz HVLSXAPBNOSLQG-AWEZNQCLSA-N 1 0 351.834 2.924 20 5 FFBDRO CC(=O)O[C@H]1C[C@@H]2C[C@H](Oc3c(Cl)cccc3[N+](=O)[O-])C[C@H]1[N@@H+]2C ZINC001227999864 1035861488 /nfs/dbraw/zinc/86/14/88/1035861488.db2.gz FSGVMMUMRPNMKW-AZHAFVHUSA-N 1 0 354.790 2.794 20 5 FFBDRO C[C@H](C[N+](C)(C)C)Oc1nc2ccc(Br)cc2c2ncnn21 ZINC001229160051 1036529576 /nfs/dbraw/zinc/52/95/76/1036529576.db2.gz WQXVKJKNUCIVGW-SNVBAGLBSA-N 1 0 365.255 2.514 20 5 FFBDRO Cc1nc(O[C@H]2CC[N@H+](Cc3ccccc3Cl)C2)c([N+](=O)[O-])c(=O)[n-]1 ZINC001229378256 1036640473 /nfs/dbraw/zinc/64/04/73/1036640473.db2.gz JMNPNDOGSOSFKZ-LBPRGKRZSA-N 1 0 364.789 2.706 20 5 FFBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(I)c([N+](=O)[O-])c1 ZINC001229949327 1036994467 /nfs/dbraw/zinc/99/44/67/1036994467.db2.gz CLDDCUGLHZGTHN-SECBINFHSA-N 1 0 365.191 2.673 20 5 FFBDRO C[C@@H](C(=O)N1CCN(c2cc[nH+]cc2)[C@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC001536994328 1070098351 /nfs/dbraw/zinc/09/83/51/1070098351.db2.gz IZIVUWFCPKSTBP-ZIAGYGMSSA-N 1 0 372.400 2.970 20 5 FFBDRO COc1cc(N2CCC([N@@H+]3CC[C@@H](N4CCCC4)C3)CC2)ccc1[N+](=O)[O-] ZINC001256099900 1038383461 /nfs/dbraw/zinc/38/34/61/1038383461.db2.gz ZKJYLUZFTWCAOI-GOSISDBHSA-N 1 0 374.485 2.742 20 5 FFBDRO COc1cc(N2CCC([N@@H+]3CCC[C@@]4(CCO4)C3)CC2)ccc1[N+](=O)[O-] ZINC001256100364 1038384958 /nfs/dbraw/zinc/38/49/58/1038384958.db2.gz GVYGUKNARHELOI-LJQANCHMSA-N 1 0 361.442 2.827 20 5 FFBDRO Cc1ccc(NC(=O)c2ccccc2N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC001251555391 1039177361 /nfs/dbraw/zinc/17/73/61/1039177361.db2.gz NGEYAFNQQHRPBY-UHFFFAOYSA-N 1 0 354.410 2.907 20 5 FFBDRO C[C@@H]1C[N@@H+](CCc2nnc(-c3ccc([N+](=O)[O-])c(Cl)c3)o2)C[C@H](C)O1 ZINC001258136896 1039215548 /nfs/dbraw/zinc/21/55/48/1039215548.db2.gz DENWUWJCLPHJCQ-PHIMTYICSA-N 1 0 366.805 2.950 20 5 FFBDRO C[C@H]1C[NH+](CCc2nnc(-c3cc([N+](=O)[O-])c(F)cc3F)o2)C[C@H](C)O1 ZINC001258139443 1039218585 /nfs/dbraw/zinc/21/85/85/1039218585.db2.gz SHMYFVBDKVLGHS-UWVGGRQHSA-N 1 0 368.340 2.575 20 5 FFBDRO C[C@@H]1C[NH+](CCc2nnc(-c3cc(F)cc(F)c3[N+](=O)[O-])o2)C[C@@H](C)O1 ZINC001258145256 1039224822 /nfs/dbraw/zinc/22/48/22/1039224822.db2.gz HGHGTJFEXORCHB-NXEZZACHSA-N 1 0 368.340 2.575 20 5 FFBDRO C[C@H]1CN(C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)C[C@H](C)[NH2+]1 ZINC001246944141 1039543791 /nfs/dbraw/zinc/54/37/91/1039543791.db2.gz QHLXTTVQUBCCGQ-RYUDHWBXSA-N 1 0 354.401 2.524 20 5 FFBDRO C[NH+]1CCN(c2ccc(Nc3ccc(F)cc3[N+](=O)[O-])cc2CO)CC1 ZINC001210954067 1039849252 /nfs/dbraw/zinc/84/92/52/1039849252.db2.gz VKXAILGEGSNRQD-UHFFFAOYSA-N 1 0 360.389 2.722 20 5 FFBDRO CC(=O)c1cccc(-c2noc(C[C@H]([NH3+])Cc3ccc([N+](=O)[O-])cc3)n2)c1 ZINC001248216075 1040177657 /nfs/dbraw/zinc/17/76/57/1040177657.db2.gz KRLFPEIFHGMJKV-MRXNPFEDSA-N 1 0 366.377 2.960 20 5 FFBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@@H]2C[NH2+][C@H](c3ccccc3)C2)n1 ZINC001248286376 1040208301 /nfs/dbraw/zinc/20/83/01/1040208301.db2.gz ZRJUAALLDXWEFQ-AAEUAGOBSA-N 1 0 355.329 2.997 20 5 FFBDRO O=[N+]([O-])c1cccnc1-c1nc(-c2ccc(CN3CCOCC3)cc2)no1 ZINC001213199817 1040330766 /nfs/dbraw/zinc/33/07/66/1040330766.db2.gz HFIHWSQEDYSZQP-UHFFFAOYSA-N 1 0 367.365 2.539 20 5 FFBDRO COc1nccc(C)c1-c1noc(C[C@@H]([NH3+])c2cccc([N+](=O)[O-])c2)n1 ZINC001249278679 1040664659 /nfs/dbraw/zinc/66/46/59/1040664659.db2.gz MLRYMVHPLPTAFM-CYBMUJFWSA-N 1 0 355.354 2.599 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CCC[C@@](F)(CO)CC3)CC2)cc1 ZINC001254475021 1040742643 /nfs/dbraw/zinc/74/26/43/1040742643.db2.gz YGQWUYDVVMXKCA-SFHVURJKSA-N 1 0 351.422 2.750 20 5 FFBDRO CCn1c(=O)ccc2c1CC[C@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])C2 ZINC001254535405 1040787100 /nfs/dbraw/zinc/78/71/00/1040787100.db2.gz JEHXEWYHGRSAFX-YOEHRIQHSA-N 1 0 355.438 2.855 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H]2CCN(C(=O)c3ccco3)[C@@H]2C1 ZINC001254555877 1040795055 /nfs/dbraw/zinc/79/50/55/1040795055.db2.gz IQUVFZNOGKGGHK-QILLFSRXSA-N 1 0 369.421 2.965 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]C[C@H]1CN(Cc3ccccc3)CCO1)C2 ZINC001254565316 1040803205 /nfs/dbraw/zinc/80/32/05/1040803205.db2.gz DGUCGIHFVMHMLS-FPOVZHCZSA-N 1 0 367.449 2.553 20 5 FFBDRO COc1ccnc(O[C@H]2CCC[N@@H+]([C@@H](C)Cc3ccccc3[N+](=O)[O-])C2)n1 ZINC001254567331 1040805770 /nfs/dbraw/zinc/80/57/70/1040805770.db2.gz BPDGQZPBHQOSIN-HOCLYGCPSA-N 1 0 372.425 2.868 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]CC1(c3ncccc3F)CCOCC1)C2 ZINC001254587260 1040818801 /nfs/dbraw/zinc/81/88/01/1040818801.db2.gz OIVCYEZIMSZINK-MRXNPFEDSA-N 1 0 371.412 2.934 20 5 FFBDRO CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@H]([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254589849 1040819872 /nfs/dbraw/zinc/81/98/72/1040819872.db2.gz SGAQFCINOCOYFN-CIRFHOKZSA-N 1 0 373.453 2.907 20 5 FFBDRO COc1ccc2c(c1)C[C@H](C[NH2+][C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)CO2 ZINC001254588266 1040820558 /nfs/dbraw/zinc/82/05/58/1040820558.db2.gz XKBVDFGQVHXDJC-CXAGYDPISA-N 1 0 354.406 2.912 20 5 FFBDRO COC(=O)c1ccc2c(c1)CC[N@H+]([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254594432 1040821328 /nfs/dbraw/zinc/82/13/28/1040821328.db2.gz QWBIMSMIGAYEMJ-LJQANCHMSA-N 1 0 352.390 2.907 20 5 FFBDRO O=C(NC1CCC1)[C@H]1C[C@H]2C[N@@H+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@H]2C1 ZINC001254595468 1040824930 /nfs/dbraw/zinc/82/49/30/1040824930.db2.gz KARDGEQUQUQKPQ-LJCCNALRSA-N 1 0 369.465 2.689 20 5 FFBDRO C[N@H+](C1CCOCC1)C1CCN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254603812 1040831513 /nfs/dbraw/zinc/83/15/13/1040831513.db2.gz QXPRMFBWBFWLLB-HXUWFJFHSA-N 1 0 359.470 2.637 20 5 FFBDRO O=C1CC2(CN1CC1CC1)CC[NH+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)CC2 ZINC001254605687 1040834112 /nfs/dbraw/zinc/83/41/12/1040834112.db2.gz CKCYMTAFRKOXRW-IBGZPJMESA-N 1 0 369.465 2.787 20 5 FFBDRO COC(=O)[C@@H]1C[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@H]1c1ccccc1 ZINC001254605363 1040835077 /nfs/dbraw/zinc/83/50/77/1040835077.db2.gz BMOMYFNJIKNFGO-SLFFLAALSA-N 1 0 366.417 2.951 20 5 FFBDRO CC(C)N1CC2(CC1=O)CC[NH+]([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)CC2 ZINC001254610560 1040838767 /nfs/dbraw/zinc/83/87/67/1040838767.db2.gz LCKBYNGPEFBODS-GOSISDBHSA-N 1 0 357.454 2.785 20 5 FFBDRO COc1ccnc(O[C@@H]2CC[N@@H+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)c1 ZINC001254610261 1040839998 /nfs/dbraw/zinc/83/99/98/1040839998.db2.gz ISFVKYTZZQJOTJ-FUHWJXTLSA-N 1 0 355.394 2.619 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(c3ncc([N+](=O)[O-])cc3Br)C[C@H]2C1 ZINC001262377333 1041666001 /nfs/dbraw/zinc/66/60/01/1041666001.db2.gz STYZDNBDFZYYOG-IJLUTSLNSA-N 1 0 369.263 2.919 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@H]2C[N@H+](Cc3cc4c(cc3[N+](=O)[O-])OCCO4)C[C@H]2C1 ZINC001262379325 1041666518 /nfs/dbraw/zinc/66/65/18/1041666518.db2.gz XKKICSZPKPPPRS-SQWLQELKSA-N 1 0 361.442 2.528 20 5 FFBDRO CCc1occc1C(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001262812329 1041872374 /nfs/dbraw/zinc/87/23/74/1041872374.db2.gz RSFKZQQGNDOMNF-UHFFFAOYSA-N 1 0 358.398 2.754 20 5 FFBDRO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3c([N+](=O)[O-])cccc3C(F)(F)F)[C@@H]2C1 ZINC001262826962 1041881034 /nfs/dbraw/zinc/88/10/34/1041881034.db2.gz UFBXPGHMMCGYMV-UMNHJUIQSA-N 1 0 357.332 2.684 20 5 FFBDRO CC(C)c1ccc(C(=O)N2CCC3(CO[C@@H](C[NH3+])C3)CC2)cc1[N+](=O)[O-] ZINC001263210084 1042174533 /nfs/dbraw/zinc/17/45/33/1042174533.db2.gz AQHYLRPUQKTPPP-OAHLLOKOSA-N 1 0 361.442 2.688 20 5 FFBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NCC[C@H]1CCC[NH2+]CC1 ZINC001263328056 1042242972 /nfs/dbraw/zinc/24/29/72/1042242972.db2.gz AEHSLVVBARBEFE-ZDUSSCGKSA-N 1 0 369.849 2.913 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H](C)C[NH+]2CCC(C)CC2)cc1C ZINC001309680783 1043480061 /nfs/dbraw/zinc/48/00/61/1043480061.db2.gz ZANZJRRIQWFZPH-OAHLLOKOSA-N 1 0 369.487 2.610 20 5 FFBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)NC[C@H]3CC3(C)C)c2)CC1 ZINC001311243417 1043855556 /nfs/dbraw/zinc/85/55/56/1043855556.db2.gz KOFMMVGYTDYNFM-CYBMUJFWSA-N 1 0 361.446 2.514 20 5 FFBDRO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC001318956376 1044957922 /nfs/dbraw/zinc/95/79/22/1044957922.db2.gz JDLGZUZGAVCKOR-QWHCGFSZSA-N 1 0 370.247 2.960 20 5 FFBDRO O=C(NCCC1CC[NH+](CCCC2CCCC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001319019615 1044984997 /nfs/dbraw/zinc/98/49/97/1044984997.db2.gz YIHRWOJEZISDPB-QZTJIDSGSA-N 1 0 351.491 2.840 20 5 FFBDRO O=C(NCCC1CC[NH+](Cc2cc3ccccc3o2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001319019651 1044985407 /nfs/dbraw/zinc/98/54/07/1044985407.db2.gz ZIUZMVWBPSUYGI-QZTJIDSGSA-N 1 0 371.437 2.816 20 5 FFBDRO C[N@@H+]1CCCC[C@H]1CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001539394163 1070630134 /nfs/dbraw/zinc/63/01/34/1070630134.db2.gz CHTLTFITIYKEFU-AWEZNQCLSA-N 1 0 360.439 2.932 20 5 FFBDRO CC(C)(C(=O)NCC[N@@H+]1CCC(C)(C)C1)c1ccc([N+](=O)[O-])cc1F ZINC001539537820 1070655098 /nfs/dbraw/zinc/65/50/98/1070655098.db2.gz XAHINRUYBMEZFJ-UHFFFAOYSA-N 1 0 351.422 2.860 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCc1ccccc1N1CC[NH+](C)CC1 ZINC001321243450 1045598223 /nfs/dbraw/zinc/59/82/23/1045598223.db2.gz OSXKNZPELLUBMZ-UHFFFAOYSA-N 1 0 368.437 2.585 20 5 FFBDRO CC(C)(C)[NH+]1CCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 ZINC001321451288 1045670547 /nfs/dbraw/zinc/67/05/47/1045670547.db2.gz GNZWHKFLSPNJFA-UHFFFAOYSA-N 1 0 357.813 2.873 20 5 FFBDRO C[C@@H]1CCCN(C(=O)CC[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC001322121238 1045960470 /nfs/dbraw/zinc/96/04/70/1045960470.db2.gz PBJHROOALGGGAI-PMPSAXMXSA-N 1 0 363.462 2.513 20 5 FFBDRO CC(C)n1cc2c(n1)[C@@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])CCC2 ZINC001325881347 1046673754 /nfs/dbraw/zinc/67/37/54/1046673754.db2.gz WKIRPBQFDLDSPQ-CVEARBPZSA-N 1 0 374.441 2.779 20 5 FFBDRO C[C@H](COc1ccccc1F)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC001326585299 1046989731 /nfs/dbraw/zinc/98/97/31/1046989731.db2.gz YIHADFZZYHAOHG-KGLIPLIRSA-N 1 0 364.373 2.531 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC001331329572 1047867607 /nfs/dbraw/zinc/86/76/07/1047867607.db2.gz JMHKTJCOOVIVFX-DOMZBBRYSA-N 1 0 368.865 2.849 20 5 FFBDRO CC(C)n1ncc2c1[C@@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)CCC2 ZINC001327990802 1048124890 /nfs/dbraw/zinc/12/48/90/1048124890.db2.gz AQVPZVQOVSJZPW-AEFFLSMTSA-N 1 0 374.441 2.779 20 5 FFBDRO CCN(C(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC001333274220 1048799822 /nfs/dbraw/zinc/79/98/22/1048799822.db2.gz YZFJOMJNXBWUJF-INIZCTEOSA-N 1 0 360.458 2.655 20 5 FFBDRO C[C@H](CNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N)C[NH+]1CCCCC1 ZINC001291849842 1048947324 /nfs/dbraw/zinc/94/73/24/1048947324.db2.gz LLNURSTWWXLQCP-SNVBAGLBSA-N 1 0 372.828 2.821 20 5 FFBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3Br)CC[C@H]21 ZINC001329881156 1048947562 /nfs/dbraw/zinc/94/75/62/1048947562.db2.gz USXCPUABKYBFMA-QMTHXVAHSA-N 1 0 368.231 2.524 20 5 FFBDRO Cc1nc(N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@]3(C)C2)ncc1[N+](=O)[O-] ZINC001330113352 1049043819 /nfs/dbraw/zinc/04/38/19/1049043819.db2.gz CLPDSTRJKCYLNI-QFBILLFUSA-N 1 0 353.426 2.652 20 5 FFBDRO COc1c(O)ccc(C[NH2+]CCN2CCc3sccc3C2)c1[N+](=O)[O-] ZINC001334152780 1049278340 /nfs/dbraw/zinc/27/83/40/1049278340.db2.gz BNTSXOXIOQJMBG-UHFFFAOYSA-N 1 0 363.439 2.518 20 5 FFBDRO C[N@H+](CCCO)C1CCN(c2cccc(C(F)(F)F)c2[N+](=O)[O-])CC1 ZINC001331098209 1049471477 /nfs/dbraw/zinc/47/14/77/1049471477.db2.gz QCVWVDOTJAEUJG-UHFFFAOYSA-N 1 0 361.364 2.897 20 5 FFBDRO CC(C)Oc1nc(N2CCN(c3cc[nH+]cc3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC001307213501 1050078451 /nfs/dbraw/zinc/07/84/51/1050078451.db2.gz HLCBFLGNVYVAOT-CQSZACIVSA-N 1 0 357.414 2.887 20 5 FFBDRO C[NH+](C)[C@@H]1C[C@@H](NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1(C)C ZINC001299820291 1050615147 /nfs/dbraw/zinc/61/51/47/1050615147.db2.gz DUCUUNNNJNXVGO-ZIAGYGMSSA-N 1 0 357.813 2.775 20 5 FFBDRO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC001342318470 1050914074 /nfs/dbraw/zinc/91/40/74/1050914074.db2.gz LLMPQNIWZNCTDJ-XJKSGUPXSA-N 1 0 351.834 2.781 20 5 FFBDRO O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001341338321 1051694462 /nfs/dbraw/zinc/69/44/62/1051694462.db2.gz DTUCTKCWLQUCSS-LJQANCHMSA-N 1 0 358.442 2.553 20 5 FFBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC001343101860 1051719552 /nfs/dbraw/zinc/71/95/52/1051719552.db2.gz CWSVBOKAMYEYIO-PXNSSMCTSA-N 1 0 367.405 2.509 20 5 FFBDRO Cn1c(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)ccc1[C@@H]1CCCC[NH2+]1 ZINC001343256496 1052108751 /nfs/dbraw/zinc/10/87/51/1052108751.db2.gz DYATYKGXGMPDHY-INIZCTEOSA-N 1 0 372.425 2.557 20 5 FFBDRO Cc1cc(N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)c([N+](=O)[O-])cc1C(F)(F)F ZINC001307227608 1052272267 /nfs/dbraw/zinc/27/22/67/1052272267.db2.gz IVTJVYWUTSJWBV-KBPBESRZSA-N 1 0 373.375 2.957 20 5 FFBDRO CC1(C)Oc2ccsc2[C@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)[C@H]1O ZINC001307790714 1052350608 /nfs/dbraw/zinc/35/06/08/1052350608.db2.gz JLRABDDOGWUENR-GOEBONIOSA-N 1 0 364.423 2.898 20 5 FFBDRO CN(CC1CC[NH2+]CC1)C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC001343652640 1052357233 /nfs/dbraw/zinc/35/72/33/1052357233.db2.gz BIYGVJBCSCFEHC-UHFFFAOYSA-N 1 0 360.458 2.657 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)Nc1c[nH+]ccc1-n1ccnc1C ZINC001343659309 1052360809 /nfs/dbraw/zinc/36/08/09/1052360809.db2.gz XWAANBJJTVONHT-UHFFFAOYSA-N 1 0 353.338 2.745 20 5 FFBDRO COc1ccccc1-c1cc(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)on1 ZINC001308881805 1052511121 /nfs/dbraw/zinc/51/11/21/1052511121.db2.gz WMYXPUUIGSPKPV-UHFFFAOYSA-N 1 0 369.381 2.948 20 5 FFBDRO O=C(O[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC001345925567 1052673528 /nfs/dbraw/zinc/67/35/28/1052673528.db2.gz UGOXXYGAUGYNAB-QWHCGFSZSA-N 1 0 362.382 2.540 20 5 FFBDRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC001344412548 1052758083 /nfs/dbraw/zinc/75/80/83/1052758083.db2.gz SGKKLCBQQMRZFU-LBPRGKRZSA-N 1 0 352.410 2.556 20 5 FFBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CN1CCC([C@@H]2CCCCO2)CC1 ZINC001347242612 1053752583 /nfs/dbraw/zinc/75/25/83/1053752583.db2.gz GPSQORRBFLZHDZ-INIZCTEOSA-N 1 0 361.398 2.741 20 5 FFBDRO C[NH2+]Cc1ccccc1CNC(=O)NC[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001336241499 1053863827 /nfs/dbraw/zinc/86/38/27/1053863827.db2.gz RCMAYQHRMFZCFX-AWEZNQCLSA-N 1 0 356.426 2.917 20 5 FFBDRO C[N@@H+]1CCCC[C@H]1CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC001347505292 1054052835 /nfs/dbraw/zinc/05/28/35/1054052835.db2.gz WQZZRNVWHPSOBZ-INIZCTEOSA-N 1 0 363.461 2.755 20 5 FFBDRO Cn1ccnc1C[C@@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC001336704073 1054151234 /nfs/dbraw/zinc/15/12/34/1054151234.db2.gz NTLLCVDYTYMQRJ-RTBURBONSA-N 1 0 366.421 2.935 20 5 FFBDRO COc1cccc(C[NH+]2CCC(Nc3ncc([N+](=O)[O-])c(C)n3)CC2)c1 ZINC001336768087 1054209078 /nfs/dbraw/zinc/20/90/78/1054209078.db2.gz TVFYZILZGOQFNN-UHFFFAOYSA-N 1 0 357.414 2.778 20 5 FFBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)[C@H]3CCC(F)(F)C3)c2)CC1 ZINC001337703493 1054957687 /nfs/dbraw/zinc/95/76/87/1054957687.db2.gz JSRJAOKOSNRSLT-LBPRGKRZSA-N 1 0 368.384 2.721 20 5 FFBDRO O=C(NC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001337865986 1055069975 /nfs/dbraw/zinc/06/99/75/1055069975.db2.gz KGRMCTWWNJPJGZ-RBUKOAKNSA-N 1 0 366.421 2.879 20 5 FFBDRO O=C1CCc2cc([N+](=O)[O-])c(N3CCCN(c4cc[nH+]cc4)CC3)cc2N1 ZINC001352066551 1055166381 /nfs/dbraw/zinc/16/63/81/1055166381.db2.gz QWFNLRRWYCPWNJ-UHFFFAOYSA-N 1 0 367.409 2.591 20 5 FFBDRO C[C@](O)(C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1Cl ZINC001338505794 1055577242 /nfs/dbraw/zinc/57/72/42/1055577242.db2.gz LKWLCXXUVWWYMZ-IRXDYDNUSA-N 1 0 350.802 2.779 20 5 FFBDRO C[C@H](NC(=O)c1ccccc1N1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC001352803507 1055806293 /nfs/dbraw/zinc/80/62/93/1055806293.db2.gz PCSLGEFLBSHUER-HNNXBMFYSA-N 1 0 368.437 2.838 20 5 FFBDRO CC(C)OCC[NH+]1CCC(NC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)CC1 ZINC001353394982 1056361022 /nfs/dbraw/zinc/36/10/22/1056361022.db2.gz KYYHCQRZDXSWKL-UHFFFAOYSA-N 1 0 368.409 2.745 20 5 FFBDRO CCc1ccc(C(=O)NC2CCN(c3cc[nH+]cc3)CC2)cc1[N+](=O)[O-] ZINC001339354200 1056363553 /nfs/dbraw/zinc/36/35/53/1056363553.db2.gz KSTPZNDEXZIKRB-UHFFFAOYSA-N 1 0 354.410 2.951 20 5 FFBDRO C[C@@H]1C[NH+](CCCCNc2ncnc3ccc([N+](=O)[O-])cc32)C[C@@H](C)O1 ZINC000611709971 1056448131 /nfs/dbraw/zinc/44/81/31/1056448131.db2.gz XJLICQQMXPHXRU-ZIAGYGMSSA-N 1 0 359.430 2.839 20 5 FFBDRO C[C@@H]1C[N@@H+](CCCCNc2ncnc3ccc([N+](=O)[O-])cc32)C[C@H](C)O1 ZINC000611709970 1056448162 /nfs/dbraw/zinc/44/81/62/1056448162.db2.gz XJLICQQMXPHXRU-OKILXGFUSA-N 1 0 359.430 2.839 20 5 FFBDRO C[NH+](C)CC(C)(C)C1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC001339443994 1056458293 /nfs/dbraw/zinc/45/82/93/1056458293.db2.gz PVJLQFJQGXYEFZ-UHFFFAOYSA-N 1 0 363.458 2.800 20 5 FFBDRO Nc1ccc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)[C@H]3C2)cc1[N+](=O)[O-] ZINC001451880688 1059158553 /nfs/dbraw/zinc/15/85/53/1059158553.db2.gz PZUKTOGBOUGKQB-APWZRJJASA-N 1 0 366.421 2.524 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@H](CC[NH+](C)C)C1 ZINC001455630344 1059840452 /nfs/dbraw/zinc/84/04/52/1059840452.db2.gz KKJYXAWQFYLQMY-STQMWFEESA-N 1 0 369.849 2.816 20 5 FFBDRO C[NH+](C)CC[C@H]1CCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC001455631696 1059842652 /nfs/dbraw/zinc/84/26/52/1059842652.db2.gz NTGHWHRHFAKFBM-INIZCTEOSA-N 1 0 374.485 2.611 20 5 FFBDRO O=C1[C@@H](c2ccc([N+](=O)[O-])cc2)CCN1C[N@@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000848480977 1060114957 /nfs/dbraw/zinc/11/49/57/1060114957.db2.gz UALIWOPKIRWZHV-UYAOXDASSA-N 1 0 373.453 2.761 20 5 FFBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)C(F)(F)Oc3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000848585181 1060314947 /nfs/dbraw/zinc/31/49/47/1060314947.db2.gz MVHKJARKJBATEW-WFASDCNBSA-N 1 0 369.368 2.509 20 5 FFBDRO CC[N@H+](C)[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2Br)C1 ZINC001458045752 1060500243 /nfs/dbraw/zinc/50/02/43/1060500243.db2.gz KKAMCCCPZKVYJS-SNVBAGLBSA-N 1 0 356.220 2.524 20 5 FFBDRO CCOc1ccccc1[C@@H]([NH3+])CC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001521384555 1060568494 /nfs/dbraw/zinc/56/84/94/1060568494.db2.gz BOQUQLJNMLJBGB-KRWDZBQOSA-N 1 0 355.394 2.926 20 5 FFBDRO CN(C)CC[N@H+](C)CCCNc1c2cccc(Cl)c2ncc1[N+](=O)[O-] ZINC001458414777 1060585708 /nfs/dbraw/zinc/58/57/08/1060585708.db2.gz MEGFNVVQJSRBPC-UHFFFAOYSA-N 1 0 365.865 2.514 20 5 FFBDRO CCn1c(C)nc([N+](=O)[O-])c1N1C[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC001458447292 1060593704 /nfs/dbraw/zinc/59/37/04/1060593704.db2.gz HDQQUJFYRPGEMV-SJORKVTESA-N 1 0 355.442 2.830 20 5 FFBDRO O=C1OCCN1c1cc([N+](=O)[O-])ccc1N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000848784343 1060690248 /nfs/dbraw/zinc/69/02/48/1060690248.db2.gz ZIZRZWZLSWGIJR-GDBMZVCRSA-N 1 0 360.414 2.980 20 5 FFBDRO COC(=O)[C@@H](Cc1ccccc1)[C@H](C)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC001460093950 1060895885 /nfs/dbraw/zinc/89/58/85/1060895885.db2.gz JHPWDQVEKBWPJG-KXBFYZLASA-N 1 0 372.421 2.984 20 5 FFBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC001460712792 1061073294 /nfs/dbraw/zinc/07/32/94/1061073294.db2.gz XRPWOABCCWVTPD-CABCVRRESA-N 1 0 369.425 2.528 20 5 FFBDRO Cc1c(NC(=O)CC[N@@H+]2CC[C@H](c3ncccn3)C2)cccc1[N+](=O)[O-] ZINC001460847042 1061128050 /nfs/dbraw/zinc/12/80/50/1061128050.db2.gz HMZLELURAPUFKQ-AWEZNQCLSA-N 1 0 355.398 2.511 20 5 FFBDRO C[C@@H]([NH2+][C@H]1CCOC12CCOCC2)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001460915652 1061149314 /nfs/dbraw/zinc/14/93/14/1061149314.db2.gz JHLKOUTVHHQBBY-DOMZBBRYSA-N 1 0 374.397 2.634 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCN1Cc2ccccc2OCC1=O ZINC001461749497 1061397340 /nfs/dbraw/zinc/39/73/40/1061397340.db2.gz DHUPDSPSEBFYMV-UHFFFAOYSA-N 1 0 369.421 2.722 20 5 FFBDRO O=C(Cc1ccc(F)cc1[N+](=O)[O-])NCc1ccc(-n2ccnc2)cc1 ZINC001527225445 1061438094 /nfs/dbraw/zinc/43/80/94/1061438094.db2.gz OVQAKRPHVZDKBW-UHFFFAOYSA-N 1 0 354.341 2.779 20 5 FFBDRO COC(=O)C1CCC([NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC001462631712 1061698497 /nfs/dbraw/zinc/69/84/97/1061698497.db2.gz BSDLXSSKAWWUBK-HSBZDZAISA-N 1 0 363.414 2.633 20 5 FFBDRO CC[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C ZINC001463064634 1061920756 /nfs/dbraw/zinc/92/07/56/1061920756.db2.gz MIGFTXXIYPRUOG-HNNXBMFYSA-N 1 0 369.487 2.754 20 5 FFBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001465900089 1063256052 /nfs/dbraw/zinc/25/60/52/1063256052.db2.gz NFOFCXZTVPPUMS-ZBEGNZNMSA-N 1 0 354.410 2.543 20 5 FFBDRO Cc1c(NC(=O)N[C@H]2CC[N@H+](C)[C@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC001466389167 1063419940 /nfs/dbraw/zinc/41/99/40/1063419940.db2.gz QGYUZBMVUBEFFF-ONGXEEELSA-N 1 0 371.235 2.880 20 5 FFBDRO CC[N@@H+]1CCCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])[C@H](C)C1 ZINC001468766698 1064035480 /nfs/dbraw/zinc/03/54/80/1064035480.db2.gz LQQWJRZAKPLBSC-CYBMUJFWSA-N 1 0 369.849 2.960 20 5 FFBDRO CC1CC[NH+](CC[C@H]2CCCN2C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC001471155878 1064581545 /nfs/dbraw/zinc/58/15/45/1064581545.db2.gz BEPAJGIWFZSTSV-MRXNPFEDSA-N 1 0 360.458 2.904 20 5 FFBDRO CN(C)c1cc[nH+]c(CNC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)c1 ZINC001471892005 1064839464 /nfs/dbraw/zinc/83/94/64/1064839464.db2.gz SSFZFAIYHYPCIS-UHFFFAOYSA-N 1 0 352.753 2.778 20 5 FFBDRO CC(C)[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001472330769 1065019222 /nfs/dbraw/zinc/01/92/22/1065019222.db2.gz KTRNDBIGKIBJNZ-DLBZAZTESA-N 1 0 363.433 2.998 20 5 FFBDRO CC(C)[NH2+][C@@H]1CCCN(C(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)C1 ZINC001472501310 1065082260 /nfs/dbraw/zinc/08/22/60/1065082260.db2.gz UXYORMOJDBBCBA-CQSZACIVSA-N 1 0 356.426 2.933 20 5 FFBDRO CC[N@H+](C)[C@H]1CCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC001473906608 1065416727 /nfs/dbraw/zinc/41/67/27/1065416727.db2.gz LAYXJLUCAFIPEO-AAEUAGOBSA-N 1 0 354.838 2.601 20 5 FFBDRO Cn1cc([C@@H]2C[C@H]2C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC001474351010 1065500164 /nfs/dbraw/zinc/50/01/64/1065500164.db2.gz FSECPCMPJMSULO-IFXJQAMLSA-N 1 0 356.426 2.975 20 5 FFBDRO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC001576735094 1078267817 /nfs/dbraw/zinc/26/78/17/1078267817.db2.gz SZEFBFBCSJIIOJ-NVXWUHKLSA-N 1 0 374.485 2.807 20 5 FFBDRO CN(Cc1ccccc1[N+](=O)[O-])c1nnc(C(C)(C)C)n1C[C@@H]1CCC[NH2+]1 ZINC001578497156 1078483755 /nfs/dbraw/zinc/48/37/55/1078483755.db2.gz KSQPYTMNEBJDRN-HNNXBMFYSA-N 1 0 372.473 2.872 20 5 FFBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@@H]1C[NH2+]C[C@H]1Cc1ccccc1 ZINC001578478755 1078478752 /nfs/dbraw/zinc/47/87/52/1078478752.db2.gz RBVNFGJUXQWMGP-UYAOXDASSA-N 1 0 367.449 2.674 20 5 FFBDRO CN(Cc1ccoc1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCC[NH3+] ZINC001578498468 1078483878 /nfs/dbraw/zinc/48/38/78/1078483878.db2.gz LJMCFDOZZHJMLY-UHFFFAOYSA-N 1 0 370.413 2.822 20 5 FFBDRO C[NH2+]CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](C)CC[C@@H]1C ZINC001578720845 1078522530 /nfs/dbraw/zinc/52/25/30/1078522530.db2.gz KCLSNQGJVARPPO-KBPBESRZSA-N 1 0 358.446 2.698 20 5 FFBDRO [NH3+]CC1(CC(=O)Nc2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)CC1 ZINC001580241827 1078772093 /nfs/dbraw/zinc/77/20/93/1078772093.db2.gz SOTOTZCGFVIXIL-UHFFFAOYSA-N 1 0 353.378 2.893 20 5 FFBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCc1ccc2c(c1)C[NH2+]C2 ZINC001580566308 1078827717 /nfs/dbraw/zinc/82/77/17/1078827717.db2.gz RTFBBKAYINZVLZ-UHFFFAOYSA-N 1 0 350.378 2.538 20 5 FFBDRO CC(C)C[N@H+](C)CCCNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC001583597006 1079238622 /nfs/dbraw/zinc/23/86/22/1079238622.db2.gz VRDYYNNMXZKNAZ-UHFFFAOYSA-N 1 0 360.817 2.677 20 5 FFBDRO C[NH+](C)[C@H]1C[C@@H](NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1(C)C ZINC001557156174 1075816071 /nfs/dbraw/zinc/81/60/71/1075816071.db2.gz QQAYKQHOEOKQRL-MSOLQXFVSA-N 1 0 374.485 2.656 20 5 FFBDRO C[N@@H+]1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C[C@H]1C(C)(C)C ZINC001557279793 1075832525 /nfs/dbraw/zinc/83/25/25/1075832525.db2.gz FKQQGOPOUCIQFB-KRWDZBQOSA-N 1 0 362.474 2.976 20 5 FFBDRO CN(C)CC[N@H+](C)CCCNc1c2cc(Cl)ccc2ncc1[N+](=O)[O-] ZINC001559205620 1076134590 /nfs/dbraw/zinc/13/45/90/1076134590.db2.gz YUWBMSVMDKRWNI-UHFFFAOYSA-N 1 0 365.865 2.514 20 5 FFBDRO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC001560053934 1076218194 /nfs/dbraw/zinc/21/81/94/1076218194.db2.gz NKHFRLCPHCXSGK-KGLIPLIRSA-N 1 0 365.430 2.961 20 5 FFBDRO C[C@H](C[NH2+]Cc1cccc(NS(C)(=O)=O)c1)c1ccccc1[N+](=O)[O-] ZINC001560603813 1076283128 /nfs/dbraw/zinc/28/31/28/1076283128.db2.gz GKQPIJRYOKZQAC-CYBMUJFWSA-N 1 0 363.439 2.860 20 5 FFBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001561350437 1076366647 /nfs/dbraw/zinc/36/66/47/1076366647.db2.gz KNHKNPNTDANAFQ-HZSPNIEDSA-N 1 0 369.487 2.548 20 5 FFBDRO Cc1cc(S(=O)(=O)N2CCC(C)(C)[NH2+]C(C)(C)C2)c(C)cc1[N+](=O)[O-] ZINC001562028663 1076469738 /nfs/dbraw/zinc/46/97/38/1076469738.db2.gz KWXVAGXGUACIKF-UHFFFAOYSA-N 1 0 369.487 2.753 20 5 FFBDRO CC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[NH+](CC/C=C\c2ccccc2)CC1 ZINC001569699888 1077160380 /nfs/dbraw/zinc/16/03/80/1077160380.db2.gz HHWDVODYIBIAAP-RJOCJTBNSA-N 1 0 371.481 2.973 20 5 FFBDRO C[N@@H+]1CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C[C@@H]1C(C)(C)C ZINC001570910285 1077242270 /nfs/dbraw/zinc/24/22/70/1077242270.db2.gz BYYVFYSDOUNYQD-GOSISDBHSA-N 1 0 374.485 2.997 20 5 FFBDRO C[NH+](C)[C@H](CNC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1)c1cccs1 ZINC001587074678 1079731479 /nfs/dbraw/zinc/73/14/79/1079731479.db2.gz LRKUKBXBHFKJKJ-GFCCVEGCSA-N 1 0 368.846 2.925 20 5 FFBDRO C[C@@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC001587761209 1079858221 /nfs/dbraw/zinc/85/82/21/1079858221.db2.gz KPPSSFZYUZVZKR-ZBFHGGJFSA-N 1 0 373.457 2.666 20 5 FFBDRO C[C@H](Nc1ccc(-c2nn[nH]n2)c([N+](=O)[O-])c1)[C@@H](c1ccccc1)[NH+](C)C ZINC001589980796 1080919827 /nfs/dbraw/zinc/91/98/27/1080919827.db2.gz FEOQNZQPSFVWAK-SJCJKPOMSA-N 1 0 367.413 2.878 20 5 FFBDRO CC1CC[NH+](CCCCNc2ccc([N+](=O)[O-])c(-c3nn[nH]n3)c2)CC1 ZINC001590272903 1081134754 /nfs/dbraw/zinc/13/47/54/1081134754.db2.gz WKAVFIMQZQXHMY-UHFFFAOYSA-N 1 0 359.434 2.699 20 5 FFBDRO C[C@@H](CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)[N@@H+]1CCC[C@@H](C)C1 ZINC000109291395 209302696 /nfs/dbraw/zinc/30/26/96/209302696.db2.gz OQDCHXWRUJVNLF-CABCVRRESA-N 1 0 371.441 2.631 20 5 FFBDRO C[NH+](C)[C@@H]1Cc2ccccc2N(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000067208416 249683292 /nfs/dbraw/zinc/68/32/92/249683292.db2.gz INKKWYBEMHZRRT-MRXNPFEDSA-N 1 0 370.365 2.636 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+](CCO)CCCO)o2)c(Cl)c1 ZINC000093323743 250030065 /nfs/dbraw/zinc/03/00/65/250030065.db2.gz CUTKEQZZHUGZJV-UHFFFAOYSA-N 1 0 354.790 2.685 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)c1 ZINC000285701788 257000517 /nfs/dbraw/zinc/00/05/17/257000517.db2.gz HNJZZAOGCTUMRO-HZPDHXFCSA-N 1 0 361.442 2.757 20 5 FFBDRO O=C(NC1CC[NH+](C2CC2)CC1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000132130285 251048696 /nfs/dbraw/zinc/04/86/96/251048696.db2.gz QCVYLLQQRFWUIW-UHFFFAOYSA-N 1 0 358.442 2.896 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000163257994 251181393 /nfs/dbraw/zinc/18/13/93/251181393.db2.gz WOBOWACZLDNGHN-AWEZNQCLSA-N 1 0 362.430 2.943 20 5 FFBDRO Cc1c([C@@H](C)[NH2+]Cc2ccc(N3CCOCC3)nc2)cccc1[N+](=O)[O-] ZINC000268745669 251372345 /nfs/dbraw/zinc/37/23/45/251372345.db2.gz HPCCZLIHLUNXKB-OAHLLOKOSA-N 1 0 356.426 2.986 20 5 FFBDRO COC(=O)[C@H]1CCCC[C@]1(C)[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000270366333 251528793 /nfs/dbraw/zinc/52/87/93/251528793.db2.gz AOXGEDLMVXBRAQ-KDOFPFPSSA-N 1 0 374.397 2.856 20 5 FFBDRO CC(C)(C)[NH+]1CCC(NC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CC1 ZINC000271292635 251753060 /nfs/dbraw/zinc/75/30/60/251753060.db2.gz GCZGTLDZYFANRZ-UHFFFAOYSA-N 1 0 363.443 2.592 20 5 FFBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)NCCc3ccc(Cl)cc3[N+](=O)[O-])[C@H]2C1 ZINC000272474558 252047566 /nfs/dbraw/zinc/04/75/66/252047566.db2.gz IRGQZQWHUKLYML-CJNGLKHVSA-N 1 0 366.849 2.526 20 5 FFBDRO COc1cc(C[NH2+][C@H](CCO)C(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000272514414 252056582 /nfs/dbraw/zinc/05/65/82/252056582.db2.gz XJSFYPBCIBTOII-GFCCVEGCSA-N 1 0 362.373 2.744 20 5 FFBDRO Cn1ccnc1[C@@H](NCC1(C)CC[NH+](C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000272534813 252061809 /nfs/dbraw/zinc/06/18/09/252061809.db2.gz NSJVZJFWCRNFPA-KRWDZBQOSA-N 1 0 357.458 2.739 20 5 FFBDRO Cc1c(C(=O)NCC2(C)CC[NH+](C)CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000272528989 252062331 /nfs/dbraw/zinc/06/23/31/252062331.db2.gz MRRQTXLFHRSTMF-UHFFFAOYSA-N 1 0 364.402 2.582 20 5 FFBDRO C[C@H](Cc1ccc(F)cc1)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000272914815 252163206 /nfs/dbraw/zinc/16/32/06/252163206.db2.gz HEXBBITZLNOVQV-CYBMUJFWSA-N 1 0 366.414 2.728 20 5 FFBDRO Cc1ccnc(OC2CC[NH+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000272975786 252179107 /nfs/dbraw/zinc/17/91/07/252179107.db2.gz POXJPZKVPRTHML-GOSISDBHSA-N 1 0 357.410 2.875 20 5 FFBDRO C[C@H]([NH2+][C@@H]1CCCN(Cc2ccccn2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000272967299 252177070 /nfs/dbraw/zinc/17/70/70/252177070.db2.gz GTCPDNRCFWIURI-KBXCAEBGSA-N 1 0 354.410 2.832 20 5 FFBDRO Cc1nc(NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)ccc1[N+](=O)[O-] ZINC000273075141 252209356 /nfs/dbraw/zinc/20/93/56/252209356.db2.gz GIAQYSOPOSMGMN-KRWDZBQOSA-N 1 0 356.426 2.867 20 5 FFBDRO O=[N+]([O-])c1ccc(NCc2ccccc2C[N@H+]2CC[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000273177562 252240610 /nfs/dbraw/zinc/24/06/10/252240610.db2.gz LIEFVDFVCNBUNE-INIZCTEOSA-N 1 0 372.381 2.682 20 5 FFBDRO COCC[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(C)o1 ZINC000273227159 252258827 /nfs/dbraw/zinc/25/88/27/252258827.db2.gz BXUBYTXIVRVJBD-CABCVRRESA-N 1 0 364.398 2.603 20 5 FFBDRO CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000273379641 252294130 /nfs/dbraw/zinc/29/41/30/252294130.db2.gz HMJSNHGNLRIXDO-IBGZPJMESA-N 1 0 366.421 2.831 20 5 FFBDRO COc1ccccc1[C@H]1CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000273397647 252298305 /nfs/dbraw/zinc/29/83/05/252298305.db2.gz VVFOXDGKIUVCOQ-HOTGVXAUSA-N 1 0 372.421 2.833 20 5 FFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC1(S(C)(=O)=O)CCCC1 ZINC000285731157 257001476 /nfs/dbraw/zinc/00/14/76/257001476.db2.gz QSPDRHYVLVBPJK-CQSZACIVSA-N 1 0 354.472 2.863 20 5 FFBDRO C[C@]1(CCCO)CCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000275555266 256023354 /nfs/dbraw/zinc/02/33/54/256023354.db2.gz CVEFBSSAPSIADT-QGZVFWFLSA-N 1 0 353.394 2.690 20 5 FFBDRO CC[NH+]1CCC(CCNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CC1 ZINC000276338564 256091333 /nfs/dbraw/zinc/09/13/33/256091333.db2.gz SBCIDEJYRQGRAI-UHFFFAOYSA-N 1 0 355.460 2.532 20 5 FFBDRO C[C@H]1CC[C@@H](C[N@@H+]2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)O1 ZINC000276472997 256103260 /nfs/dbraw/zinc/10/32/60/256103260.db2.gz ZDRALMGMUIXFTC-ZFWWWQNUSA-N 1 0 359.430 2.551 20 5 FFBDRO C[C@@H]1CC[C@@H](C[N@@H+]2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)O1 ZINC000276472988 256103548 /nfs/dbraw/zinc/10/35/48/256103548.db2.gz ZDRALMGMUIXFTC-HIFRSBDPSA-N 1 0 359.430 2.551 20 5 FFBDRO Cn1c(Sc2nc3ccccc3cc2[N+](=O)[O-])nnc1[C@@H]1CCC[NH2+]C1 ZINC000276686373 256121824 /nfs/dbraw/zinc/12/18/24/256121824.db2.gz VSYVDEQUFSHPSZ-GFCCVEGCSA-N 1 0 370.438 2.890 20 5 FFBDRO Cc1ccc(NC(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000277342286 256187610 /nfs/dbraw/zinc/18/76/10/256187610.db2.gz DGNIKSPGRIZFME-AWEZNQCLSA-N 1 0 350.419 2.526 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000277439611 256198550 /nfs/dbraw/zinc/19/85/50/256198550.db2.gz LEWWFRHGLORLHK-OAHLLOKOSA-N 1 0 364.446 2.834 20 5 FFBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000278373173 256305011 /nfs/dbraw/zinc/30/50/11/256305011.db2.gz RURJZDISMAOKHV-ZDUSSCGKSA-N 1 0 369.849 2.787 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCCc3occc32)cc1 ZINC000278639229 256333505 /nfs/dbraw/zinc/33/35/05/256333505.db2.gz HJTANAYQTZSFGL-OAHLLOKOSA-N 1 0 350.396 2.629 20 5 FFBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000278326309 256300130 /nfs/dbraw/zinc/30/01/30/256300130.db2.gz VTANHRRGAONYKR-HUUCEWRRSA-N 1 0 360.458 2.701 20 5 FFBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000285794691 257005394 /nfs/dbraw/zinc/00/53/94/257005394.db2.gz MMFNXPVPKOMXPR-CJNGLKHVSA-N 1 0 356.426 2.704 20 5 FFBDRO CN(C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000286102524 257020222 /nfs/dbraw/zinc/02/02/22/257020222.db2.gz FHPLMISENZTDOM-FKEKPDDDSA-N 1 0 356.426 2.633 20 5 FFBDRO O=c1[nH]c(N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)nc2ccc([N+](=O)[O-])cc21 ZINC000286290887 257029788 /nfs/dbraw/zinc/02/97/88/257029788.db2.gz RXPLBPGCTVARNC-PXAZEXFGSA-N 1 0 369.425 2.697 20 5 FFBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N(C)CCC[N@H+](C)Cc1ccco1 ZINC000286351496 257032804 /nfs/dbraw/zinc/03/28/04/257032804.db2.gz BMKISTVKZRJEDC-UHFFFAOYSA-N 1 0 374.441 2.848 20 5 FFBDRO CNC(=O)CC[C@@H]1CCCC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000286564160 257043308 /nfs/dbraw/zinc/04/33/08/257043308.db2.gz UCLXCDGUALWCBM-AWEZNQCLSA-N 1 0 373.413 2.526 20 5 FFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H](CCO)c2ccc(Cl)cc2)c1 ZINC000286697286 257050312 /nfs/dbraw/zinc/05/03/12/257050312.db2.gz DOINYXRWCLQJFQ-SJORKVTESA-N 1 0 350.802 2.995 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)n1 ZINC000286857149 257058649 /nfs/dbraw/zinc/05/86/49/257058649.db2.gz MREJXVMGTLGMSI-CHWSQXEVSA-N 1 0 362.430 2.841 20 5 FFBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1ccc([N+](=O)[O-])cc1N1CCOC1=O ZINC000286387695 257034433 /nfs/dbraw/zinc/03/44/33/257034433.db2.gz OSKUTYZGRPSBOK-HIFRSBDPSA-N 1 0 360.414 2.614 20 5 FFBDRO COCC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)Cc1ccccn1 ZINC000287433109 257089292 /nfs/dbraw/zinc/08/92/92/257089292.db2.gz PQKLPGMTYLMSQY-UHFFFAOYSA-N 1 0 372.425 2.775 20 5 FFBDRO COCCN(Cc1ccccn1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000287448276 257089853 /nfs/dbraw/zinc/08/98/53/257089853.db2.gz QMUSPEOAJBGPEY-UHFFFAOYSA-N 1 0 359.382 2.505 20 5 FFBDRO COC(=O)c1cc(C)nc(NC2CC[NH+](C3CCCC3)CC2)c1[N+](=O)[O-] ZINC000288273655 257168586 /nfs/dbraw/zinc/16/85/86/257168586.db2.gz HBMKAQGZOLKQLM-UHFFFAOYSA-N 1 0 362.430 2.904 20 5 FFBDRO COc1cc(C[NH2+]C[C@@]2(CO)C[C@@H]2c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000289785424 257299163 /nfs/dbraw/zinc/29/91/63/257299163.db2.gz JUWRLOVZRDFBOU-OXQOHEQNSA-N 1 0 372.421 2.868 20 5 FFBDRO COc1ccc(C[C@H](CO)C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)cc1O ZINC000289547083 257286758 /nfs/dbraw/zinc/28/67/58/257286758.db2.gz XHLNBCFHGLLYPM-INIZCTEOSA-N 1 0 360.410 2.558 20 5 FFBDRO CCn1c(C)nc([N+](=O)[O-])c1NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000289579739 257288230 /nfs/dbraw/zinc/28/82/30/257288230.db2.gz INOSPYIGTCHVQQ-KRWDZBQOSA-N 1 0 373.457 2.688 20 5 FFBDRO C[NH+](C)CCCOC1CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000295128373 257617499 /nfs/dbraw/zinc/61/74/99/257617499.db2.gz HTIUKYPQQCFJDR-UHFFFAOYSA-N 1 0 369.849 2.821 20 5 FFBDRO Cc1cc(F)c(NC(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000296901204 257764871 /nfs/dbraw/zinc/76/48/71/257764871.db2.gz XVSBIMODEPXZEK-CYBMUJFWSA-N 1 0 368.409 2.665 20 5 FFBDRO Cc1cc(C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)cc([N+](=O)[O-])c1 ZINC000297139170 257793025 /nfs/dbraw/zinc/79/30/25/257793025.db2.gz IAXXQENVVNEHQT-ROUUACIJSA-N 1 0 357.385 2.999 20 5 FFBDRO CCc1cc(N2CC[NH+](C3CC3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301096601 258024663 /nfs/dbraw/zinc/02/46/63/258024663.db2.gz MTKLVTZCVRBUAF-UHFFFAOYSA-N 1 0 353.426 2.899 20 5 FFBDRO O=C(NC1CC1)c1ccc(N2CCCC[C@@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000301199569 258033500 /nfs/dbraw/zinc/03/35/00/258033500.db2.gz PLCPJGQIBOWCKX-QGZVFWFLSA-N 1 0 372.469 2.942 20 5 FFBDRO CC[NH+]1CCN(c2ccc(Nc3c([N+](=O)[O-])c(C)nn3C)c(C)c2)CC1 ZINC000301288580 258040058 /nfs/dbraw/zinc/04/00/58/258040058.db2.gz PGEKICKBLZPDIW-UHFFFAOYSA-N 1 0 358.446 2.831 20 5 FFBDRO Cc1c(CO)cc([N+](=O)[O-])c(N[C@H](C)C[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000301518259 258053570 /nfs/dbraw/zinc/05/35/70/258053570.db2.gz KMSPRQWCQXOTOZ-LLVKDONJSA-N 1 0 352.391 2.590 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)c1 ZINC000301549245 258055453 /nfs/dbraw/zinc/05/54/53/258055453.db2.gz GHVSWDXLJXNOJW-INIZCTEOSA-N 1 0 355.442 2.921 20 5 FFBDRO C[N@H+](CCNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2)Cc1ccc(F)cc1 ZINC000301692893 258063156 /nfs/dbraw/zinc/06/31/56/258063156.db2.gz OKQAQDPLEDWOML-UHFFFAOYSA-N 1 0 374.372 2.609 20 5 FFBDRO Cc1cc(N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)ncc1[N+](=O)[O-] ZINC000301719975 258065088 /nfs/dbraw/zinc/06/50/88/258065088.db2.gz MDEMIHVKTZXYHK-DLBZAZTESA-N 1 0 356.426 2.593 20 5 FFBDRO CNC(=O)c1ccc(N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000301835354 258069933 /nfs/dbraw/zinc/06/99/33/258069933.db2.gz LCRKVZYVRVKOEX-FUHWJXTLSA-N 1 0 354.410 2.812 20 5 FFBDRO Cc1c(NC(=O)CC[N@@H+]2CC[C@H](C(C)(C)C)[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000330703349 258168661 /nfs/dbraw/zinc/16/86/61/258168661.db2.gz JBJJVTWLFBESQT-YOEHRIQHSA-N 1 0 363.458 2.961 20 5 FFBDRO CC(C)c1n[nH]c(C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000331215234 258179882 /nfs/dbraw/zinc/17/98/82/258179882.db2.gz NXSVDUHZHZWMMB-GFCCVEGCSA-N 1 0 351.451 2.682 20 5 FFBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000331488247 258188111 /nfs/dbraw/zinc/18/81/11/258188111.db2.gz KIDJATRXWSNNIC-SNVBAGLBSA-N 1 0 368.231 2.632 20 5 FFBDRO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@](C)(OC)CC2)c([N+](=O)[O-])c1 ZINC000332331071 258225486 /nfs/dbraw/zinc/22/54/86/258225486.db2.gz QIGNCCSOIYPIGV-ACJLOTCBSA-N 1 0 365.430 2.821 20 5 FFBDRO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000332668083 258239581 /nfs/dbraw/zinc/23/95/81/258239581.db2.gz OTQGOGCOKPFLQD-GFCCVEGCSA-N 1 0 353.369 2.502 20 5 FFBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCC[N@H+](C)CC3)cc2[N+](=O)[O-])C1 ZINC000097617981 132229955 /nfs/dbraw/zinc/22/99/55/132229955.db2.gz TZCQSZPQMPCKGK-HZPDHXFCSA-N 1 0 374.485 2.855 20 5 FFBDRO CCN(CCC[NH+](C)C)C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000230710035 509439379 /nfs/dbraw/zinc/43/93/79/509439379.db2.gz XGGJVQGAFGCPKT-UHFFFAOYSA-N 1 0 358.236 2.771 20 5 FFBDRO C[C@@H]1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000235331320 509451229 /nfs/dbraw/zinc/45/12/29/509451229.db2.gz ZQSSZQNGZOCBDQ-RNCFNFMXSA-N 1 0 356.220 2.557 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000064960294 506245748 /nfs/dbraw/zinc/24/57/48/506245748.db2.gz DGBVHYYVFXXYEE-ZDUSSCGKSA-N 1 0 369.487 2.692 20 5 FFBDRO O=C(CCn1cc([N+](=O)[O-])cn1)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000065812057 506371404 /nfs/dbraw/zinc/37/14/04/506371404.db2.gz UWVADFVZODEXNS-UHFFFAOYSA-N 1 0 371.441 2.849 20 5 FFBDRO Cc1noc(C)c1CO[C@H]1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000375157676 512188190 /nfs/dbraw/zinc/18/81/90/512188190.db2.gz GMNNRWBARAKSMD-WMZOPIPTSA-N 1 0 361.398 2.524 20 5 FFBDRO CC(C)N(C(=O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1ccccc1 ZINC000373244774 512238894 /nfs/dbraw/zinc/23/88/94/512238894.db2.gz RTYGMDULVWRJFV-UHFFFAOYSA-N 1 0 371.441 2.870 20 5 FFBDRO Cc1nc2ccccc2nc1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373283311 512254638 /nfs/dbraw/zinc/25/46/38/512254638.db2.gz GJYCEQZYBAWUQO-UHFFFAOYSA-N 1 0 352.398 2.880 20 5 FFBDRO CNC(=O)c1ccc(NC[C@H](c2ccccc2OC)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000053550353 506402470 /nfs/dbraw/zinc/40/24/70/506402470.db2.gz LMNRPHPIKWZEGM-QGZVFWFLSA-N 1 0 372.425 2.678 20 5 FFBDRO CNC(=O)c1ccc(NCc2ccc(OCC[NH+](C)C)cc2)c([N+](=O)[O-])c1 ZINC000053573075 506408746 /nfs/dbraw/zinc/40/87/46/506408746.db2.gz BVMDTVVEVXARDF-UHFFFAOYSA-N 1 0 372.425 2.507 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCCO)cc1 ZINC000066067898 506419736 /nfs/dbraw/zinc/41/97/36/506419736.db2.gz MCQSUYBDUUXTKC-UHFFFAOYSA-N 1 0 352.394 2.920 20 5 FFBDRO Cc1noc(C2CC[NH+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3C)CC2)n1 ZINC000053640273 506420170 /nfs/dbraw/zinc/42/01/70/506420170.db2.gz FWSXBNNHENLNLZ-UHFFFAOYSA-N 1 0 373.413 2.803 20 5 FFBDRO Cc1sc(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)cc1[N+](=O)[O-] ZINC000053992862 506473766 /nfs/dbraw/zinc/47/37/66/506473766.db2.gz YAUBYKGAQSSCTD-UHFFFAOYSA-N 1 0 363.439 2.835 20 5 FFBDRO CCC[NH+](CCC)CCCC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373345855 512284401 /nfs/dbraw/zinc/28/44/01/512284401.db2.gz RHLAUBPYKJKXFQ-UHFFFAOYSA-N 1 0 365.478 2.857 20 5 FFBDRO CCOc1cc(C[N@@H+]2CCC[C@@H](c3ccnc(N)n3)C2)ccc1[N+](=O)[O-] ZINC000366990970 512285386 /nfs/dbraw/zinc/28/53/86/512285386.db2.gz VVHTWLOPVSHRDS-CQSZACIVSA-N 1 0 357.414 2.576 20 5 FFBDRO Cc1c(CO)cc([N+](=O)[O-])c(NC2CC[NH+](CC(C)C)CC2)c1[N+](=O)[O-] ZINC000042633421 506645644 /nfs/dbraw/zinc/64/56/44/506645644.db2.gz GBSCVYGCXHBLDS-UHFFFAOYSA-N 1 0 366.418 2.836 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000043126971 506703243 /nfs/dbraw/zinc/70/32/43/506703243.db2.gz BQWVAXRHKFGXFI-UHFFFAOYSA-N 1 0 350.419 2.989 20 5 FFBDRO CC(C)(C)CC[NH+]1CCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000067377836 506850144 /nfs/dbraw/zinc/85/01/44/506850144.db2.gz MNAKCVXFXJWANS-GOSISDBHSA-N 1 0 374.485 2.754 20 5 FFBDRO C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2CCOc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000067387602 506856061 /nfs/dbraw/zinc/85/60/61/506856061.db2.gz BIKLOTAFLNMHLQ-JZXOWHBKSA-N 1 0 363.458 2.547 20 5 FFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CCN1C(=O)c2ccccc2C1=O ZINC000067446449 506885020 /nfs/dbraw/zinc/88/50/20/506885020.db2.gz YDSHKAVAMZZYSF-CYBMUJFWSA-N 1 0 353.378 2.884 20 5 FFBDRO CC[N@H+](C)Cc1cccc(CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)c1 ZINC000067679139 506972240 /nfs/dbraw/zinc/97/22/40/506972240.db2.gz JSCTVDACVKYUTJ-UHFFFAOYSA-N 1 0 367.409 2.853 20 5 FFBDRO CC[NH+]1CCC(CNC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)CC1 ZINC000067682882 506973253 /nfs/dbraw/zinc/97/32/53/506973253.db2.gz SJNRSDIFGVLBJM-CYBMUJFWSA-N 1 0 351.472 2.924 20 5 FFBDRO CC[N@H+](C)Cc1cccc(CNS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000067716808 506988920 /nfs/dbraw/zinc/98/89/20/506988920.db2.gz LXYCDUGQGJIPBG-UHFFFAOYSA-N 1 0 363.439 2.525 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(OCC[NH+](C)C)cc2)c1 ZINC000067751543 506997418 /nfs/dbraw/zinc/99/74/18/506997418.db2.gz RMKQNQRTSXVCRD-UHFFFAOYSA-N 1 0 359.382 2.796 20 5 FFBDRO CC(C)[NH+]1CCC(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000014939386 507007331 /nfs/dbraw/zinc/00/73/31/507007331.db2.gz CVLNTBDIKHQXIL-UHFFFAOYSA-N 1 0 374.485 2.800 20 5 FFBDRO C[NH+](C)[C@H](CNC(=O)CCOc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000067787103 507009968 /nfs/dbraw/zinc/00/99/68/507009968.db2.gz DXPCVAPCFJAVEN-KRWDZBQOSA-N 1 0 371.437 2.653 20 5 FFBDRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000067806196 507014021 /nfs/dbraw/zinc/01/40/21/507014021.db2.gz ZVXBHANBWNYIKO-QGZVFWFLSA-N 1 0 371.437 2.653 20 5 FFBDRO C[NH+](C)CCOc1cccc(CNC(=O)c2cc(F)ccc2[N+](=O)[O-])c1 ZINC000068130282 507122396 /nfs/dbraw/zinc/12/23/96/507122396.db2.gz PIWVFNBLJPDFNJ-UHFFFAOYSA-N 1 0 361.373 2.604 20 5 FFBDRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000068203973 507147811 /nfs/dbraw/zinc/14/78/11/507147811.db2.gz BNRLMPJQPWGSAK-HOTGVXAUSA-N 1 0 362.474 2.881 20 5 FFBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000068226377 507155653 /nfs/dbraw/zinc/15/56/53/507155653.db2.gz NLKCSASIIDEXIT-RDJZCZTQSA-N 1 0 368.437 2.958 20 5 FFBDRO CC(C)[N@@H+]1CCCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 ZINC000068800477 507328583 /nfs/dbraw/zinc/32/85/83/507328583.db2.gz IOVRRZLRWIKUTC-UHFFFAOYSA-N 1 0 360.458 2.751 20 5 FFBDRO CSc1ccc(C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1[N+](=O)[O-] ZINC000023509034 507357140 /nfs/dbraw/zinc/35/71/40/507357140.db2.gz ZCMICJPTAXBGGI-CHWSQXEVSA-N 1 0 367.471 2.546 20 5 FFBDRO COc1cc(OCC(=O)N(CC[NH+](C)C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000058296739 507401812 /nfs/dbraw/zinc/40/18/12/507401812.db2.gz BTLZCWLQPGPVJM-UHFFFAOYSA-N 1 0 373.409 2.577 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000069124516 507414397 /nfs/dbraw/zinc/41/43/97/507414397.db2.gz NKIZTBGUABSCND-MRXNPFEDSA-N 1 0 367.471 2.542 20 5 FFBDRO O=C(COc1cccc([N+](=O)[O-])c1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000063272450 507709711 /nfs/dbraw/zinc/70/97/11/507709711.db2.gz OZXNSLWYUHGEFD-UHFFFAOYSA-N 1 0 361.442 2.744 20 5 FFBDRO CCCCNC(=O)[C@H]1CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000051057499 507732219 /nfs/dbraw/zinc/73/22/19/507732219.db2.gz IJBYHRCTTGMDNE-INIZCTEOSA-N 1 0 363.458 2.992 20 5 FFBDRO C[C@H](CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)[NH+]1CCCC1 ZINC000051342881 507764197 /nfs/dbraw/zinc/76/41/97/507764197.db2.gz REXSRKOJVCQPIQ-GFCCVEGCSA-N 1 0 360.439 2.932 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CCCOCCc3ccccc3)CC2)cn1 ZINC000051424306 507769897 /nfs/dbraw/zinc/76/98/97/507769897.db2.gz ZACHVMLPFJDHHH-UHFFFAOYSA-N 1 0 370.453 2.761 20 5 FFBDRO CC[N@@H+]1CC[C@H](CNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000051469040 507772507 /nfs/dbraw/zinc/77/25/07/507772507.db2.gz UKYXLSCBQHDDEJ-GFCCVEGCSA-N 1 0 360.439 2.790 20 5 FFBDRO O=C(COc1ccc([N+](=O)[O-])cc1)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000029837964 507792128 /nfs/dbraw/zinc/79/21/28/507792128.db2.gz VMCOORBXAQSMQU-UHFFFAOYSA-N 1 0 369.421 2.538 20 5 FFBDRO C[NH+](C)[C@@H](CNC(=O)NCCNc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000072487676 507798828 /nfs/dbraw/zinc/79/88/28/507798828.db2.gz KSIVEHDLQUCWOZ-SFHVURJKSA-N 1 0 371.441 2.609 20 5 FFBDRO C[NH+](C)CCOc1ccccc1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000089304308 507828356 /nfs/dbraw/zinc/82/83/56/507828356.db2.gz SFZKGCWUMZVNHG-UHFFFAOYSA-N 1 0 357.410 2.508 20 5 FFBDRO COc1ccc(C(=O)NCC[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000089514233 507844239 /nfs/dbraw/zinc/84/42/39/507844239.db2.gz LTIZSKFHAREFPP-AWEZNQCLSA-N 1 0 357.410 2.992 20 5 FFBDRO C[C@@H]1CCC[C@@](CNc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])([NH+](C)C)C1 ZINC000089619886 507850981 /nfs/dbraw/zinc/85/09/81/507850981.db2.gz CSLFUNYBPZPGJW-CXAGYDPISA-N 1 0 369.487 2.921 20 5 FFBDRO CC[N@@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C1 ZINC000107889468 507872855 /nfs/dbraw/zinc/87/28/55/507872855.db2.gz FDSYULLZVVXMRP-OAHLLOKOSA-N 1 0 360.458 2.657 20 5 FFBDRO CC(=O)N1CC[C@H](C[N@@H+](C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000089935214 507887498 /nfs/dbraw/zinc/88/74/98/507887498.db2.gz QGEUOIVBPNDDHI-CQSZACIVSA-N 1 0 358.398 2.550 20 5 FFBDRO CCCC[N@@H+]1CCCC[C@H]1CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000078650318 507893616 /nfs/dbraw/zinc/89/36/16/507893616.db2.gz MLRSGEFOAGABNJ-ZDUSSCGKSA-N 1 0 359.430 2.898 20 5 FFBDRO CC[NH+](CC)[C@H](CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])c1ccco1 ZINC000078878201 507914374 /nfs/dbraw/zinc/91/43/74/507914374.db2.gz TXHAMFVSYLTFBY-MRXNPFEDSA-N 1 0 371.397 2.919 20 5 FFBDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1[nH]nc(CCC)c1[N+](=O)[O-] ZINC000109621299 507971739 /nfs/dbraw/zinc/97/17/39/507971739.db2.gz SEDAQSDDNMSACT-ZDUSSCGKSA-N 1 0 351.451 2.655 20 5 FFBDRO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000091453556 507986949 /nfs/dbraw/zinc/98/69/49/507986949.db2.gz OMOWVCRHOOMXOR-CYBMUJFWSA-N 1 0 365.405 2.975 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(n2ccnc2)CC1 ZINC000109795566 507988013 /nfs/dbraw/zinc/98/80/13/507988013.db2.gz RRPONGGKYLLOEI-UHFFFAOYSA-N 1 0 357.414 2.765 20 5 FFBDRO Cc1cc(N2CCC3(CCN(C)C3=O)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000369368822 512375375 /nfs/dbraw/zinc/37/53/75/512375375.db2.gz HWXBOVUPZXICNS-UHFFFAOYSA-N 1 0 354.410 2.900 20 5 FFBDRO Cc1cc(N(C)C2CC[NH+](CCc3ccccn3)CC2)ncc1[N+](=O)[O-] ZINC000074745277 508051579 /nfs/dbraw/zinc/05/15/79/508051579.db2.gz SEPGPFPPSBMWNE-UHFFFAOYSA-N 1 0 355.442 2.837 20 5 FFBDRO CC[C@@H](C)[N@H+](C)CCNS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000111050077 508066906 /nfs/dbraw/zinc/06/69/06/508066906.db2.gz MLMFFSKUKUWACM-SNVBAGLBSA-N 1 0 363.867 2.565 20 5 FFBDRO Cc1cc([N+](=O)[O-])cnc1NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000111176627 508075890 /nfs/dbraw/zinc/07/58/90/508075890.db2.gz XDIZQAXOFUBJEY-UHFFFAOYSA-N 1 0 355.442 2.528 20 5 FFBDRO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000075061534 508080603 /nfs/dbraw/zinc/08/06/03/508080603.db2.gz XBWPRUDXGFEMRB-NEPJUHHUSA-N 1 0 351.378 2.584 20 5 FFBDRO O=C1c2ccccc2C(=O)N1CCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000111394115 508095923 /nfs/dbraw/zinc/09/59/23/508095923.db2.gz WMNCPVDAEXXZHY-UHFFFAOYSA-N 1 0 359.407 2.822 20 5 FFBDRO C[C@H](CNC(=O)NCc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1ccccc1 ZINC000111461199 508101321 /nfs/dbraw/zinc/10/13/21/508101321.db2.gz IHHFMERRNHIRLF-OAHLLOKOSA-N 1 0 356.426 2.915 20 5 FFBDRO C[N@@H+](Cc1ccc(Cl)nc1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000080915123 508111728 /nfs/dbraw/zinc/11/17/28/508111728.db2.gz XDAZXZDFVNPGNO-AWEZNQCLSA-N 1 0 351.790 2.515 20 5 FFBDRO C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1CCCN(c2ccccc2)C1 ZINC000081013785 508125952 /nfs/dbraw/zinc/12/59/52/508125952.db2.gz VYZLPBGFWZEOQV-SFHVURJKSA-N 1 0 368.437 2.795 20 5 FFBDRO CC[NH+](CC)CCCNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000112072474 508148652 /nfs/dbraw/zinc/14/86/52/508148652.db2.gz HSNOZIWENVWZKY-UHFFFAOYSA-N 1 0 359.430 2.703 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000081634871 508200098 /nfs/dbraw/zinc/20/00/98/508200098.db2.gz DMQGJGVBLNUVKX-INIZCTEOSA-N 1 0 360.458 2.505 20 5 FFBDRO C[N@@H+]1CCCC12CCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)CC2 ZINC000369385938 512383674 /nfs/dbraw/zinc/38/36/74/512383674.db2.gz ZJDAMBOEJYVKNG-UHFFFAOYSA-N 1 0 366.849 2.747 20 5 FFBDRO COc1cc(C[NH2+]CC2(C)COC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000112711883 508213877 /nfs/dbraw/zinc/21/38/77/508213877.db2.gz XJYLNAYKRWEJBZ-UHFFFAOYSA-N 1 0 364.320 2.671 20 5 FFBDRO CCN1CC[NH+](C[C@H](C)CNc2ccc([N+](=O)[O-])c3cnccc23)CC1 ZINC000076921946 508262749 /nfs/dbraw/zinc/26/27/49/508262749.db2.gz WRJYOSMSJKEPSN-OAHLLOKOSA-N 1 0 357.458 2.829 20 5 FFBDRO CC(C)CN(C(=O)CCNc1ccccc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000114143231 508295731 /nfs/dbraw/zinc/29/57/31/508295731.db2.gz LAMBDKPRFWQJML-UHFFFAOYSA-N 1 0 362.474 2.976 20 5 FFBDRO CC[NH+]1CCN(c2ccc(C(=O)NCc3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC000114173534 508297581 /nfs/dbraw/zinc/29/75/81/508297581.db2.gz QCMPQQIRVHLJLR-UHFFFAOYSA-N 1 0 368.437 2.667 20 5 FFBDRO Nc1c(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)cc(F)cc1[N+](=O)[O-] ZINC000114695019 508338264 /nfs/dbraw/zinc/33/82/64/508338264.db2.gz UUCJIICPBPUNGV-OAHLLOKOSA-N 1 0 372.400 2.711 20 5 FFBDRO NC(=O)C[C@H]1CCCC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000104680065 508340782 /nfs/dbraw/zinc/34/07/82/508340782.db2.gz VTAZPUVOVIVXRG-CQSZACIVSA-N 1 0 358.398 2.522 20 5 FFBDRO C[NH+](C)CCN(Cc1ccco1)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000088507073 508373982 /nfs/dbraw/zinc/37/39/82/508373982.db2.gz UNFULCJMRRUZDJ-UHFFFAOYSA-N 1 0 360.414 2.504 20 5 FFBDRO CC1CCC([NH+]2CCN(CC(=O)N(C)c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000115567621 508410445 /nfs/dbraw/zinc/41/04/45/508410445.db2.gz UDWHWPHPLVEBLV-UHFFFAOYSA-N 1 0 374.485 2.754 20 5 FFBDRO C[C@H]1C[C@H](Nc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000133526834 508412036 /nfs/dbraw/zinc/41/20/36/508412036.db2.gz LZIJCKFZHPBJIU-JSGCOSHPSA-N 1 0 369.425 2.596 20 5 FFBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000156447983 508421678 /nfs/dbraw/zinc/42/16/78/508421678.db2.gz KGVRWCACPJFHLN-AWEZNQCLSA-N 1 0 356.426 2.947 20 5 FFBDRO CC[C@@H]1CN(C)c2ccccc2C[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000127261318 508422328 /nfs/dbraw/zinc/42/23/28/508422328.db2.gz MGHLCOGMEZJBBY-QGZVFWFLSA-N 1 0 368.437 2.924 20 5 FFBDRO O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000127507050 508460357 /nfs/dbraw/zinc/46/03/57/508460357.db2.gz NJRKPWXCYBARQO-MRXNPFEDSA-N 1 0 372.469 2.753 20 5 FFBDRO C[NH2+][C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)C1 ZINC000133907122 508466699 /nfs/dbraw/zinc/46/66/99/508466699.db2.gz AYPZTVZYECQCOM-OAHLLOKOSA-N 1 0 360.458 2.655 20 5 FFBDRO CN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)[C@@H]1CCC[N@H+](C)C1 ZINC000122033244 508470296 /nfs/dbraw/zinc/47/02/96/508470296.db2.gz WBRXQXSOVHMICF-GFCCVEGCSA-N 1 0 356.220 2.524 20 5 FFBDRO O=C(CC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1ccc(F)cc1 ZINC000122202919 508497618 /nfs/dbraw/zinc/49/76/18/508497618.db2.gz YBTPALGNNHIFDW-OAHLLOKOSA-N 1 0 358.373 2.888 20 5 FFBDRO C[C@H](N[C@H](CC[NH+](C)C)C(C)(C)C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000116396641 508506154 /nfs/dbraw/zinc/50/61/54/508506154.db2.gz GNYSRCXXHFZIAQ-XJKSGUPXSA-N 1 0 350.463 2.878 20 5 FFBDRO Cn1cc(C(=O)NCC2([NH3+])CCCCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000122367264 508523935 /nfs/dbraw/zinc/52/39/35/508523935.db2.gz UYVDHCOFWIBTEB-UHFFFAOYSA-N 1 0 371.441 2.777 20 5 FFBDRO CCC[NH+]1CCC(CNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC1 ZINC000128245273 508567772 /nfs/dbraw/zinc/56/77/72/508567772.db2.gz ZBJDESKWPZJBQI-UHFFFAOYSA-N 1 0 371.441 2.632 20 5 FFBDRO CCCNC(=O)CN1CCC([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000153480862 508587633 /nfs/dbraw/zinc/58/76/33/508587633.db2.gz ORIKCAOJEVVVGC-OAHLLOKOSA-N 1 0 362.474 2.544 20 5 FFBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CCC([NH3+])CC2)cc1 ZINC000157678021 508596130 /nfs/dbraw/zinc/59/61/30/508596130.db2.gz XPSKBEDORQFLAG-UHFFFAOYSA-N 1 0 371.393 2.959 20 5 FFBDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000122900549 508604116 /nfs/dbraw/zinc/60/41/16/508604116.db2.gz ZYZCYIQCLLDJGU-NSHDSACASA-N 1 0 370.247 2.771 20 5 FFBDRO Cc1cc(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)cc([N+](=O)[O-])c1 ZINC000123120813 508640397 /nfs/dbraw/zinc/64/03/97/508640397.db2.gz RMZJAEBGIQEOHZ-UHFFFAOYSA-N 1 0 357.410 2.774 20 5 FFBDRO C[NH+](C)Cc1ccc(CNC(=O)NCCc2cccc([N+](=O)[O-])c2)cc1F ZINC000135914554 508658310 /nfs/dbraw/zinc/65/83/10/508658310.db2.gz WTGVHXFFOYOXKV-UHFFFAOYSA-N 1 0 374.416 2.837 20 5 FFBDRO C[C@@H](CC(=O)NCCc1ccccc1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000123312695 508667128 /nfs/dbraw/zinc/66/71/28/508667128.db2.gz RWWXJPBTJHFMRX-INIZCTEOSA-N 1 0 355.438 2.864 20 5 FFBDRO CC[N@@H+]1CCCN([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000118826182 508679647 /nfs/dbraw/zinc/67/96/47/508679647.db2.gz NMIXSKWVPMPJFB-LBPRGKRZSA-N 1 0 354.838 2.603 20 5 FFBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000118958805 508695603 /nfs/dbraw/zinc/69/56/03/508695603.db2.gz ZSWZCAYWMOWPDA-YJBOKZPZSA-N 1 0 368.437 2.915 20 5 FFBDRO CCC[NH+]1CCC(CNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000129192200 508695932 /nfs/dbraw/zinc/69/59/32/508695932.db2.gz KIPOKOQXZDXGPF-UHFFFAOYSA-N 1 0 371.441 2.632 20 5 FFBDRO Cc1sc(S(=O)(=O)N2CCC[C@H]2C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000123600068 508712627 /nfs/dbraw/zinc/71/26/27/508712627.db2.gz OWPKCFJYRQAEOF-ZDUSSCGKSA-N 1 0 373.500 2.604 20 5 FFBDRO O=C(NCC1([NH+]2CCSCC2)CCCC1)c1cc(F)ccc1[N+](=O)[O-] ZINC000154146694 508725924 /nfs/dbraw/zinc/72/59/24/508725924.db2.gz AKSRFILQOBKWAZ-UHFFFAOYSA-N 1 0 367.446 2.825 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@@H](CCCc3ccccc3)C2)c1 ZINC000158600973 508727445 /nfs/dbraw/zinc/72/74/45/508727445.db2.gz IPEAQTFDEDSXDG-QUCCMNQESA-N 1 0 372.469 2.887 20 5 FFBDRO Cc1c([C@@H](C)[NH2+]C[C@@]2(N3CCOCC3)CCSC2)cccc1[N+](=O)[O-] ZINC000154440568 508785631 /nfs/dbraw/zinc/78/56/31/508785631.db2.gz CCNGUIXFRCHHFA-QAPCUYQASA-N 1 0 365.499 2.762 20 5 FFBDRO Nc1ccc(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)cc1[N+](=O)[O-] ZINC000140179241 508801068 /nfs/dbraw/zinc/80/10/68/508801068.db2.gz KKXPBZHBGLVALX-ZDUSSCGKSA-N 1 0 374.466 2.881 20 5 FFBDRO C[NH+](C)CC[C@@H](NC(=O)NCCc1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000119579495 508822358 /nfs/dbraw/zinc/82/23/58/508822358.db2.gz RXWGOMWUVUSJTG-MRXNPFEDSA-N 1 0 350.463 2.803 20 5 FFBDRO C[C@@H](NCc1c(Cl)cccc1[N+](=O)[O-])c1ccc(S(N)(=O)=O)cc1 ZINC000119622812 508831040 /nfs/dbraw/zinc/83/10/40/508831040.db2.gz PYXODKLJHFRBEZ-SNVBAGLBSA-N 1 0 369.830 2.746 20 5 FFBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000119726208 508851418 /nfs/dbraw/zinc/85/14/18/508851418.db2.gz CMMQWLQEFBCYBI-CQSZACIVSA-N 1 0 360.458 2.877 20 5 FFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000119744789 508854896 /nfs/dbraw/zinc/85/48/96/508854896.db2.gz RWBKDWQAKXAOCG-RYVRDWITSA-N 1 0 358.486 2.899 20 5 FFBDRO C[NH+](C)CCn1c2cc(NCc3ccc([N+](=O)[O-])cc3)ccc2oc1=O ZINC000124687746 508869210 /nfs/dbraw/zinc/86/92/10/508869210.db2.gz SRIJYOACVIAJAP-UHFFFAOYSA-N 1 0 356.382 2.676 20 5 FFBDRO COc1ccc([C@@H]2CCC[N@@H+]2CCn2cc([N+](=O)[O-])ccc2=O)cc1OC ZINC000159704013 508877934 /nfs/dbraw/zinc/87/79/34/508877934.db2.gz JGDRBTYFXXMERK-INIZCTEOSA-N 1 0 373.409 2.611 20 5 FFBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000150741239 508883412 /nfs/dbraw/zinc/88/34/12/508883412.db2.gz MEDAIFUDDMBTKV-INIZCTEOSA-N 1 0 360.458 2.874 20 5 FFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC000124828932 508891045 /nfs/dbraw/zinc/89/10/45/508891045.db2.gz XTXBBTQKNCESHO-SJKOYZFVSA-N 1 0 361.373 2.774 20 5 FFBDRO C[C@@H]1CCC[N@H+](CCNC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000159902252 508909406 /nfs/dbraw/zinc/90/94/06/508909406.db2.gz ODKSCWUKCGEVHN-LLVKDONJSA-N 1 0 370.247 2.819 20 5 FFBDRO CNC(=O)C(C)(C)C[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000120257414 508959444 /nfs/dbraw/zinc/95/94/44/508959444.db2.gz NIVFUPRXDJPTSI-UHFFFAOYSA-N 1 0 361.398 2.725 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000120328403 508974221 /nfs/dbraw/zinc/97/42/21/508974221.db2.gz JWGUWOPUOKOALV-HNNXBMFYSA-N 1 0 364.446 2.570 20 5 FFBDRO CCC[C@H]([NH2+]C1CCN(CC(=O)N(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000160400280 508981975 /nfs/dbraw/zinc/98/19/75/508981975.db2.gz HZZNNNSTJCMNPD-SFHVURJKSA-N 1 0 362.474 2.578 20 5 FFBDRO CCC[NH+]1CCC(N(C)S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)CC1 ZINC000132353256 509020349 /nfs/dbraw/zinc/02/03/49/509020349.db2.gz OGRUTFDQAOOYAD-UHFFFAOYSA-N 1 0 373.450 2.537 20 5 FFBDRO C[NH2+][C@@H]1CCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000160778266 509032012 /nfs/dbraw/zinc/03/20/12/509032012.db2.gz FFEQKWOBELCMQC-MRXNPFEDSA-N 1 0 354.410 2.641 20 5 FFBDRO CC(C)(CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)[NH+]1CCCCC1 ZINC000160907503 509046529 /nfs/dbraw/zinc/04/65/29/509046529.db2.gz JXKCGKVLGMVQCZ-UHFFFAOYSA-N 1 0 371.441 2.775 20 5 FFBDRO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000126554308 509094840 /nfs/dbraw/zinc/09/48/40/509094840.db2.gz VGGAHBQSHMIICP-PXAZEXFGSA-N 1 0 369.425 2.560 20 5 FFBDRO CCCc1n[nH]c(C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)c1[N+](=O)[O-] ZINC000156114386 509129457 /nfs/dbraw/zinc/12/94/57/509129457.db2.gz VJMIBOLPZXTXFC-CQSZACIVSA-N 1 0 351.451 2.511 20 5 FFBDRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000133214318 509132774 /nfs/dbraw/zinc/13/27/74/509132774.db2.gz MXJQNUWRXBAYMT-OAHLLOKOSA-N 1 0 358.442 2.753 20 5 FFBDRO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000126980297 509155290 /nfs/dbraw/zinc/15/52/90/509155290.db2.gz SBAUMTIYKWDSMD-CQSZACIVSA-N 1 0 358.442 2.727 20 5 FFBDRO Cc1ncc(C[N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)s1 ZINC000188847563 509292420 /nfs/dbraw/zinc/29/24/20/509292420.db2.gz VQEZIVMWHHQWHV-UHFFFAOYSA-N 1 0 352.391 2.959 20 5 FFBDRO CCCC[C@H](C[NH3+])NC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 ZINC000162819479 509307469 /nfs/dbraw/zinc/30/74/69/509307469.db2.gz CMIFYDYBRTZVQJ-QGZVFWFLSA-N 1 0 373.457 2.704 20 5 FFBDRO O=[N+]([O-])c1cnc2ccc(NCC3CC[NH+](Cc4ccccc4)CC3)nn21 ZINC000179280895 509354171 /nfs/dbraw/zinc/35/41/71/509354171.db2.gz PYQAWKMEIRNLKA-UHFFFAOYSA-N 1 0 366.425 2.962 20 5 FFBDRO C[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1Br)C[NH+]1CCCC1 ZINC000182662511 509357939 /nfs/dbraw/zinc/35/79/39/509357939.db2.gz UTACWPVRYGTKLG-LLVKDONJSA-N 1 0 370.247 2.819 20 5 FFBDRO C[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1Br)C[NH+]1CCCC1 ZINC000182662494 509357527 /nfs/dbraw/zinc/35/75/27/509357527.db2.gz UTACWPVRYGTKLG-NSHDSACASA-N 1 0 370.247 2.819 20 5 FFBDRO C[C@@H]1C[N@@H+](C2CCN(Cc3c(Cl)cccc3[N+](=O)[O-])CC2)CCO1 ZINC000163419983 509373905 /nfs/dbraw/zinc/37/39/05/509373905.db2.gz ZHEYENUVIQEZRU-CYBMUJFWSA-N 1 0 353.850 2.933 20 5 FFBDRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)C[C@H]12 ZINC000248588131 509379592 /nfs/dbraw/zinc/37/95/92/509379592.db2.gz GORPAWQCCMDIPB-KWCYVHTRSA-N 1 0 358.423 2.528 20 5 FFBDRO Cc1ccc(CN(CC[NH+](C)C)C(=O)Cc2cccc([N+](=O)[O-])c2C)o1 ZINC000163542008 509389658 /nfs/dbraw/zinc/38/96/58/509389658.db2.gz WAETXLXAHJLLNY-UHFFFAOYSA-N 1 0 359.426 2.938 20 5 FFBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000185885773 509406308 /nfs/dbraw/zinc/40/63/08/509406308.db2.gz IJADZZGZTIISRZ-OLZOCXBDSA-N 1 0 354.838 2.920 20 5 FFBDRO COc1cc(C[N@H+](C)CCn2ccc([N+](=O)[O-])n2)c(SC)cc1OC ZINC000176261515 509409770 /nfs/dbraw/zinc/40/97/70/509409770.db2.gz HPWPGVLNEMDGHR-UHFFFAOYSA-N 1 0 366.443 2.662 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(CC[NH+](C)C)C2CCCC2)c1C ZINC000163778166 509421597 /nfs/dbraw/zinc/42/15/97/509421597.db2.gz HCDBJWWYCHVDQJ-UHFFFAOYSA-N 1 0 369.487 2.707 20 5 FFBDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000267276374 509422864 /nfs/dbraw/zinc/42/28/64/509422864.db2.gz UHCRAJVONBJKLG-GJZGRUSLSA-N 1 0 360.458 2.904 20 5 FFBDRO Cc1cc(N2CCN(C[C@@H](C)O)C[C@H]2C)c(Br)cc1[N+](=O)[O-] ZINC000248671973 509429477 /nfs/dbraw/zinc/42/94/77/509429477.db2.gz UOGUTAXXDHBFCB-VXGBXAGGSA-N 1 0 372.263 2.557 20 5 FFBDRO COc1cc(C(=O)N(CC[NH+](C)C)Cc2ccco2)cc([N+](=O)[O-])c1C ZINC000189231746 509474094 /nfs/dbraw/zinc/47/40/94/509474094.db2.gz OPIJVJGHDIXGJZ-UHFFFAOYSA-N 1 0 361.398 2.709 20 5 FFBDRO CCCN(CCC[NH+](C)C)C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000189263293 509488437 /nfs/dbraw/zinc/48/84/37/509488437.db2.gz CFUUYUNWFAXUMR-UHFFFAOYSA-N 1 0 359.430 2.584 20 5 FFBDRO CCC[NH2+]CCNC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000236843022 509516860 /nfs/dbraw/zinc/51/68/60/509516860.db2.gz AMJLQAWJAPHAQZ-HUUCEWRRSA-N 1 0 362.474 2.807 20 5 FFBDRO COC(=O)[C@@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000248880553 509525367 /nfs/dbraw/zinc/52/53/67/509525367.db2.gz FDXQCXFTKCLNTQ-SUMWQHHRSA-N 1 0 372.425 2.626 20 5 FFBDRO Cc1cccc(CN(CC[NH+](C)C)C(=O)c2cccc([N+](=O)[O-])c2N)c1 ZINC000176473236 509531947 /nfs/dbraw/zinc/53/19/47/509531947.db2.gz KHFBJKMNTZRCCE-UHFFFAOYSA-N 1 0 356.426 2.689 20 5 FFBDRO Cc1c(C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000264445392 509532672 /nfs/dbraw/zinc/53/26/72/509532672.db2.gz CFBJTYYZJFQUFM-CYBMUJFWSA-N 1 0 362.386 2.512 20 5 FFBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2c(C)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC000192556555 509553094 /nfs/dbraw/zinc/55/30/94/509553094.db2.gz IDEWMDWXSPEMKQ-CVEARBPZSA-N 1 0 363.458 2.770 20 5 FFBDRO O=[N+]([O-])c1ccc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c([N+](=O)[O-])c1 ZINC000249035609 509578126 /nfs/dbraw/zinc/57/81/26/509578126.db2.gz SNHQXWXIHBPPGF-SUMWQHHRSA-N 1 0 360.414 2.952 20 5 FFBDRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000179707891 509584805 /nfs/dbraw/zinc/58/48/05/509584805.db2.gz HVJIEIPVTOIQKH-OAHLLOKOSA-N 1 0 356.426 2.643 20 5 FFBDRO C[NH2+]C[C@@H]1CCCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000237265779 509606946 /nfs/dbraw/zinc/60/69/46/509606946.db2.gz QCKQLTDOMJHBTR-LBPRGKRZSA-N 1 0 360.439 2.790 20 5 FFBDRO O=C(C[N@H+](C[C@@H]1CCCO1)C1CCCC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000173578923 509658294 /nfs/dbraw/zinc/65/82/94/509658294.db2.gz LIZSGBHEFAANLD-SFHVURJKSA-N 1 0 373.453 2.908 20 5 FFBDRO COc1cccc(F)c1[C@@H](C)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000179915607 509672558 /nfs/dbraw/zinc/67/25/58/509672558.db2.gz PONJBHOWHJNSNE-TZMCWYRMSA-N 1 0 364.373 2.833 20 5 FFBDRO COc1cccc(F)c1[C@H](C)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000179915559 509673349 /nfs/dbraw/zinc/67/33/49/509673349.db2.gz PONJBHOWHJNSNE-JSGCOSHPSA-N 1 0 364.373 2.833 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1CN1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000183308967 509708988 /nfs/dbraw/zinc/70/89/88/509708988.db2.gz LVLOGTMOOASPDW-QZTJIDSGSA-N 1 0 360.502 2.894 20 5 FFBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)NC[C@@H]3CCC[NH2+]C3)cc2[N+](=O)[O-])C1 ZINC000237692020 509711965 /nfs/dbraw/zinc/71/19/65/509711965.db2.gz YGVPQRASJVLPFX-OWCLPIDISA-N 1 0 374.485 2.807 20 5 FFBDRO C[C@H]1C[C@H](C)CN(c2ccc(C(=O)N[C@@H]3CCC[NH2+]C3)cc2[N+](=O)[O-])C1 ZINC000237713842 509718032 /nfs/dbraw/zinc/71/80/32/509718032.db2.gz DXYJCTMYEUZGQO-OFQRWUPVSA-N 1 0 360.458 2.559 20 5 FFBDRO CC1(CNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC[NH2+]CC1 ZINC000183384058 509753185 /nfs/dbraw/zinc/75/31/85/509753185.db2.gz KVQRKVKOBPJEIM-UHFFFAOYSA-N 1 0 360.439 2.838 20 5 FFBDRO COc1ccc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000180109283 509756807 /nfs/dbraw/zinc/75/68/07/509756807.db2.gz LRXDHDZXNHMAQX-YJBOKZPZSA-N 1 0 355.394 2.779 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000249783702 509763046 /nfs/dbraw/zinc/76/30/46/509763046.db2.gz QVWFQQUIBIJMAR-KBPBESRZSA-N 1 0 364.446 2.523 20 5 FFBDRO CCC[N@@H+]1CC[C@H](CNC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000268148221 509780484 /nfs/dbraw/zinc/78/04/84/509780484.db2.gz WGCWSRCVFGRAFQ-GFCCVEGCSA-N 1 0 354.838 2.779 20 5 FFBDRO C[N@@H+]1CC[C@@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1 ZINC000180172529 509793447 /nfs/dbraw/zinc/79/34/47/509793447.db2.gz PHSFRAZEXPGHGA-MJGOQNOKSA-N 1 0 355.394 2.535 20 5 FFBDRO CC(C)C[N@@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])cc2N2CCOC2=O)C1 ZINC000268196495 509807455 /nfs/dbraw/zinc/80/74/55/509807455.db2.gz FTPYIXFUWLUBIG-CQSZACIVSA-N 1 0 362.430 2.941 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2nnc(CN3CC[C@H](C[NH+]4CCCCC4)C3)o2)cc1 ZINC000173877450 509830280 /nfs/dbraw/zinc/83/02/80/509830280.db2.gz RLLIUGQYFCBLFQ-OAHLLOKOSA-N 1 0 371.441 2.953 20 5 FFBDRO Cc1csc([C@@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000183566125 509863170 /nfs/dbraw/zinc/86/31/70/509863170.db2.gz MHLOBQKAJSWJHC-CJNGLKHVSA-N 1 0 363.439 2.840 20 5 FFBDRO CCOc1ccc(NC(=O)C[N@H+](C)C2CCC(OC)CC2)c([N+](=O)[O-])c1 ZINC000265178856 509905230 /nfs/dbraw/zinc/90/52/30/509905230.db2.gz DJAJXWLJIXUMRE-UHFFFAOYSA-N 1 0 365.430 2.821 20 5 FFBDRO COC(=O)c1ccccc1N(C)C(=O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180415684 509914778 /nfs/dbraw/zinc/91/47/78/509914778.db2.gz WNBOWAMEDRAFGT-ZDUSSCGKSA-N 1 0 371.393 2.695 20 5 FFBDRO Cc1nnc([C@H]2CCC[N@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3C)C2)[nH]1 ZINC000268416313 509917106 /nfs/dbraw/zinc/91/71/06/509917106.db2.gz BSRVRBXASVRRLZ-AWEZNQCLSA-N 1 0 372.429 2.538 20 5 FFBDRO C[C@@H]1C[C@@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC000177208005 509937002 /nfs/dbraw/zinc/93/70/02/509937002.db2.gz NWMUOXNEWGHTPX-UKRRQHHQSA-N 1 0 358.442 2.550 20 5 FFBDRO CC[NH+](CC)C[C@H]1CCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000245465015 509951860 /nfs/dbraw/zinc/95/18/60/509951860.db2.gz YEJIIPABMGIXCV-HZPDHXFCSA-N 1 0 362.474 2.894 20 5 FFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCC(O)(Cc3cccc(F)c3)CC2)c1 ZINC000186924037 509953358 /nfs/dbraw/zinc/95/33/58/509953358.db2.gz HSWKMNDCCZSABL-IBGZPJMESA-N 1 0 374.412 2.837 20 5 FFBDRO CCCc1n[nH]c(C(=O)NC2CC[NH+](C3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000177266003 509969488 /nfs/dbraw/zinc/96/94/88/509969488.db2.gz JJBHIAZTVIACFU-UHFFFAOYSA-N 1 0 363.462 2.797 20 5 FFBDRO COC(=O)c1cnc(NC[C@@H](c2ccco2)[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000190164363 509978797 /nfs/dbraw/zinc/97/87/97/509978797.db2.gz NULPFONMLQACFU-AWEZNQCLSA-N 1 0 360.370 2.618 20 5 FFBDRO C[C@@H]1C[C@@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2Br)CC[N@@H+]1C ZINC000180571835 509992326 /nfs/dbraw/zinc/99/23/26/509992326.db2.gz IIQOVIONKJONOW-MNOVXSKESA-N 1 0 370.247 2.912 20 5 FFBDRO CN(CC1([NH+](C)C)CCC1)C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000187018765 510009966 /nfs/dbraw/zinc/00/99/66/510009966.db2.gz ZVLMUPVGUPWOJR-UHFFFAOYSA-N 1 0 370.247 2.914 20 5 FFBDRO CC[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 ZINC000180616021 510015204 /nfs/dbraw/zinc/01/52/04/510015204.db2.gz OPOQKWCIKPFUMH-OAHLLOKOSA-N 1 0 371.393 2.706 20 5 FFBDRO C[C@H](C(=O)N1CCCCC1)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174245438 510022264 /nfs/dbraw/zinc/02/22/64/510022264.db2.gz NTBPRFAUGHPNLM-OAHLLOKOSA-N 1 0 361.442 2.839 20 5 FFBDRO CC1CCN(c2ccc(C(=O)NCC[NH2+]C(C)(C)C)cc2[N+](=O)[O-])CC1 ZINC000174249724 510023445 /nfs/dbraw/zinc/02/34/45/510023445.db2.gz SOBMMTNITPKNIL-UHFFFAOYSA-N 1 0 362.474 2.949 20 5 FFBDRO COc1cc(-c2nc(C3([NH3+])CCC3)no2)c([N+](=O)[O-])cc1OC(F)F ZINC000261754825 510052717 /nfs/dbraw/zinc/05/27/17/510052717.db2.gz LZCQSDRXSIDPHS-UHFFFAOYSA-N 1 0 356.285 2.593 20 5 FFBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000245731903 510112801 /nfs/dbraw/zinc/11/28/01/510112801.db2.gz YXIPDVNOKWTSOC-CABCVRRESA-N 1 0 371.441 2.631 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCSC[C@H](C)C1 ZINC000190479542 510154369 /nfs/dbraw/zinc/15/43/69/510154369.db2.gz GQJUDVJYCQLXFY-GFCCVEGCSA-N 1 0 353.444 2.617 20 5 FFBDRO Cc1nn(Cc2ccc(-c3nc(C4([NH3+])CCC4)no3)cc2)c(C)c1[N+](=O)[O-] ZINC000262051716 510160741 /nfs/dbraw/zinc/16/07/41/510160741.db2.gz ZSFFHBKUBPNFLX-UHFFFAOYSA-N 1 0 368.397 2.844 20 5 FFBDRO COc1cc(CN(C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)ccc1O ZINC000174538610 510165720 /nfs/dbraw/zinc/16/57/20/510165720.db2.gz DNAVOJZQMQEHLD-UHFFFAOYSA-N 1 0 370.365 2.991 20 5 FFBDRO O=[N+]([O-])c1ccc(OCC[N@H+](C[C@@H]2CCCO2)[C@H]2CCSC2)cc1 ZINC000245903415 510197890 /nfs/dbraw/zinc/19/78/90/510197890.db2.gz QGMQIWIDYIPIGW-RDJZCZTQSA-N 1 0 352.456 2.960 20 5 FFBDRO COc1cc(C[NH2+]CCc2nn(C)c3ccccc23)c([N+](=O)[O-])cc1O ZINC000187393032 510239073 /nfs/dbraw/zinc/23/90/73/510239073.db2.gz MBMNZRORBFXLKX-UHFFFAOYSA-N 1 0 356.382 2.528 20 5 FFBDRO C[NH2+][C@@H]1CCN(C(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC000269147280 510259201 /nfs/dbraw/zinc/25/92/01/510259201.db2.gz ZNFARSNRZSHAOP-OFQRWUPVSA-N 1 0 360.458 2.511 20 5 FFBDRO C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)C1CC1 ZINC000187463303 510280071 /nfs/dbraw/zinc/28/00/71/510280071.db2.gz SVBKINLVPCTFNJ-SFHVURJKSA-N 1 0 368.437 2.817 20 5 FFBDRO O=C(C[C@H]1C[NH2+]CCO1)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000269219364 510297236 /nfs/dbraw/zinc/29/72/36/510297236.db2.gz MQUVCNIRVULBOE-KRWDZBQOSA-N 1 0 357.366 2.704 20 5 FFBDRO Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N)c(OCC[NH+](C)C)c1 ZINC000184428893 510320288 /nfs/dbraw/zinc/32/02/88/510320288.db2.gz GHGXAMAXKOBXLK-UHFFFAOYSA-N 1 0 358.398 2.678 20 5 FFBDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 ZINC000269284254 510322525 /nfs/dbraw/zinc/32/25/25/510322525.db2.gz RVBRDERGZIHIQC-RKDXNWHRSA-N 1 0 374.210 2.696 20 5 FFBDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000262579193 510322621 /nfs/dbraw/zinc/32/26/21/510322621.db2.gz LHMCIVLXSGPQSA-SDDRHHMPSA-N 1 0 355.822 2.601 20 5 FFBDRO Cc1c(NC(=O)CCN2CCC[C@H]2C[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000171708313 510323236 /nfs/dbraw/zinc/32/32/36/510323236.db2.gz GXAMVTZEIWTCDE-INIZCTEOSA-N 1 0 360.458 2.792 20 5 FFBDRO C[NH2+]C[C@@H]1CCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000262585235 510326515 /nfs/dbraw/zinc/32/65/15/510326515.db2.gz UFCIMIMZPDXZDD-INIZCTEOSA-N 1 0 368.437 2.888 20 5 FFBDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000184462433 510336129 /nfs/dbraw/zinc/33/61/29/510336129.db2.gz PIRJCYSGQFUUQN-MRXNPFEDSA-N 1 0 368.437 2.771 20 5 FFBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000246172481 510338805 /nfs/dbraw/zinc/33/88/05/510338805.db2.gz PVZGBFMRTKXPRU-KBPBESRZSA-N 1 0 359.430 2.979 20 5 FFBDRO COc1cc(C(=O)NCC2([NH+](C)C)CCCCC2)cc([N+](=O)[O-])c1OC ZINC000266008919 510355680 /nfs/dbraw/zinc/35/56/80/510355680.db2.gz QMZHNKKSUWGMHJ-UHFFFAOYSA-N 1 0 365.430 2.606 20 5 FFBDRO C[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(-c2cccnc2)cc1 ZINC000181323391 510356409 /nfs/dbraw/zinc/35/64/09/510356409.db2.gz JBTVCBADPPEYNY-KUHUBIRLSA-N 1 0 367.409 2.565 20 5 FFBDRO CCN(CCO)CC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000184544065 510381170 /nfs/dbraw/zinc/38/11/70/510381170.db2.gz MXMAUZKUIRBTPT-UHFFFAOYSA-N 1 0 367.833 2.912 20 5 FFBDRO C[NH+](C)Cc1cccc(NC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000190869029 510384227 /nfs/dbraw/zinc/38/42/27/510384227.db2.gz DAOAKOQAGLZRKN-UHFFFAOYSA-N 1 0 370.409 2.952 20 5 FFBDRO CNC(=O)CC1CC[NH+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000175010489 510433252 /nfs/dbraw/zinc/43/32/52/510433252.db2.gz LMVHQBAIKHVOIQ-UHFFFAOYSA-N 1 0 372.425 2.640 20 5 FFBDRO COC[C@@H]([NH2+]CCOc1ccc(OC)cc1[N+](=O)[O-])c1ccc(C)o1 ZINC000184678845 510456177 /nfs/dbraw/zinc/45/61/77/510456177.db2.gz GRYRQPFXHTYINE-CQSZACIVSA-N 1 0 350.371 2.861 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H](Cc2ccccc2)C2CC2)c1 ZINC000181557079 510471698 /nfs/dbraw/zinc/47/16/98/510471698.db2.gz OYCHSJCBQLOPNB-UYAOXDASSA-N 1 0 356.422 2.945 20 5 FFBDRO CC(=O)Nc1cccc([C@H](C)[NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000178205620 510488015 /nfs/dbraw/zinc/48/80/15/510488015.db2.gz APLUTVDEXQHPJL-LBPRGKRZSA-N 1 0 356.382 2.843 20 5 FFBDRO CCOc1cc(NC(C)(C)CC[NH+]2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000184836054 510539104 /nfs/dbraw/zinc/53/91/04/510539104.db2.gz SPAUHGVVFTURAA-UHFFFAOYSA-N 1 0 350.463 2.822 20 5 FFBDRO C[C@H]1C[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2Br)C[N@@H+]1C1CC1 ZINC000184856948 510550632 /nfs/dbraw/zinc/55/06/32/510550632.db2.gz HUZIPDDPOCZUAB-VHSXEESVSA-N 1 0 368.231 2.712 20 5 FFBDRO C[C@@H](Nc1ccc(C(=O)N2CC[C@@H](C[NH3+])C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000178519546 510644237 /nfs/dbraw/zinc/64/42/37/510644237.db2.gz XBQMIBIKNSPDLN-KGLIPLIRSA-N 1 0 369.425 2.584 20 5 FFBDRO C[C@@H]([NH3+])CCNC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000178646791 510703069 /nfs/dbraw/zinc/70/30/69/510703069.db2.gz MGNDRDNCEYOIQB-MRVPVSSYSA-N 1 0 372.212 2.554 20 5 FFBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2cc(F)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000246883669 510727516 /nfs/dbraw/zinc/72/75/16/510727516.db2.gz TYBFDUPMYZJKEF-XJKSGUPXSA-N 1 0 367.421 2.601 20 5 FFBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2cc(C)cc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000246965628 510772816 /nfs/dbraw/zinc/77/28/16/510772816.db2.gz YYJPGCHXYXKSNE-MAUKXSAKSA-N 1 0 363.458 2.770 20 5 FFBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246985627 510782155 /nfs/dbraw/zinc/78/21/55/510782155.db2.gz WCDXYMFMJJEDRK-RVKKMQEKSA-N 1 0 372.469 2.871 20 5 FFBDRO Cc1cc(C[NH+](C)C)cc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)c1 ZINC000270390246 510789333 /nfs/dbraw/zinc/78/93/33/510789333.db2.gz RLAMPTQRNFANLT-UHFFFAOYSA-N 1 0 371.393 2.988 20 5 FFBDRO Cc1ccc(OCC[N@@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000182190543 510806093 /nfs/dbraw/zinc/80/60/93/510806093.db2.gz PIUPUZYXHHBYPI-MRXNPFEDSA-N 1 0 360.410 2.654 20 5 FFBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247079342 510827797 /nfs/dbraw/zinc/82/77/97/510827797.db2.gz NCUHENHJUDJXQU-NVXWUHKLSA-N 1 0 360.458 2.872 20 5 FFBDRO Cc1cnc([C@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C2CC2)s1 ZINC000185376807 510828049 /nfs/dbraw/zinc/82/80/49/510828049.db2.gz GMYRQJGZKBQUFD-XJKSGUPXSA-N 1 0 363.439 2.840 20 5 FFBDRO C[C@@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccc2c(c1)OCO2 ZINC000182286327 510844163 /nfs/dbraw/zinc/84/41/63/510844163.db2.gz WBTTUXWTRDXZFL-GFCCVEGCSA-N 1 0 369.377 2.563 20 5 FFBDRO CCCO[C@@H]1CCC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000247181797 510849731 /nfs/dbraw/zinc/84/97/31/510849731.db2.gz PPTVIXQMGCUHAG-IAGOWNOFSA-N 1 0 352.431 2.616 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000247382281 510859298 /nfs/dbraw/zinc/85/92/98/510859298.db2.gz LMQMEQIDLOSVLI-DOTOQJQBSA-N 1 0 374.485 2.997 20 5 FFBDRO C[C@H]([NH2+][C@@H]1CCN(Cc2ccc(F)cc2)C1=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285420778 510899738 /nfs/dbraw/zinc/89/97/38/510899738.db2.gz YDKCSIPVNHRNFL-YVEFUNNKSA-N 1 0 372.400 2.768 20 5 FFBDRO CC[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccc(OC)c(OC)c1 ZINC000285518512 510939757 /nfs/dbraw/zinc/93/97/57/510939757.db2.gz RKFOSEXJKHZLFS-HNNXBMFYSA-N 1 0 361.398 2.515 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N(C)CCC[N@@H+](C)CCN(C)C ZINC000294128153 510965061 /nfs/dbraw/zinc/96/50/61/510965061.db2.gz FOFHQJIOIHQHBP-UHFFFAOYSA-N 1 0 365.478 2.559 20 5 FFBDRO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)cc1 ZINC000277737113 510970866 /nfs/dbraw/zinc/97/08/66/510970866.db2.gz KLKWETBLMHHZSK-DOMZBBRYSA-N 1 0 362.348 2.999 20 5 FFBDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)C2)C1 ZINC000294169298 510977345 /nfs/dbraw/zinc/97/73/45/510977345.db2.gz OLJSVFGAPIJWHB-LJQANCHMSA-N 1 0 363.433 2.956 20 5 FFBDRO O=C(Nc1cccc([N+](=O)[O-])c1)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000285659611 510997973 /nfs/dbraw/zinc/99/79/73/510997973.db2.gz MBXLVENAVGIGEJ-UHFFFAOYSA-N 1 0 355.398 2.776 20 5 FFBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000282529771 511014816 /nfs/dbraw/zinc/01/48/16/511014816.db2.gz VIIDXMIAVIKEBO-UHFFFAOYSA-N 1 0 360.458 2.653 20 5 FFBDRO COc1cc(C[N@H+](C)CC(C)(C)CO)c([N+](=O)[O-])cc1OCC(F)F ZINC000294698824 511147214 /nfs/dbraw/zinc/14/72/14/511147214.db2.gz CUPRRXJTLOHSKV-UHFFFAOYSA-N 1 0 362.373 2.698 20 5 FFBDRO CN1CC[NH+](CC2(C)CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)CC1 ZINC000364940335 511165964 /nfs/dbraw/zinc/16/59/64/511165964.db2.gz CXVBFJUYFDZQCF-UHFFFAOYSA-N 1 0 368.428 2.727 20 5 FFBDRO O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CCN(C2CCC2)CC1 ZINC000294772982 511173644 /nfs/dbraw/zinc/17/36/44/511173644.db2.gz NIOZTPAVVLLJGN-UHFFFAOYSA-N 1 0 357.332 2.924 20 5 FFBDRO O=C(c1cccc([N+](=O)[O-])c1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000279730849 511193375 /nfs/dbraw/zinc/19/33/75/511193375.db2.gz RWRNOGZVXSYWAQ-HDICACEKSA-N 1 0 351.406 2.799 20 5 FFBDRO COc1cc(C[NH2+]Cc2ccccc2-c2cnn(C)c2)c([N+](=O)[O-])cc1O ZINC000362675731 511214397 /nfs/dbraw/zinc/21/43/97/511214397.db2.gz JFCICRACOXGHDD-UHFFFAOYSA-N 1 0 368.393 2.999 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000294968330 511237736 /nfs/dbraw/zinc/23/77/36/511237736.db2.gz NBWUTBOXBWTPRN-RHSMWYFYSA-N 1 0 361.442 2.746 20 5 FFBDRO C[C@H](NC(=O)[C@H]1CN(Cc2ccccc2)CCO1)c1ccccc1[N+](=O)[O-] ZINC000271690636 511288835 /nfs/dbraw/zinc/28/88/35/511288835.db2.gz ISCCKZIVGDPSSW-HNAYVOBHSA-N 1 0 369.421 2.673 20 5 FFBDRO C[C@@H]1[C@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000291678544 511294178 /nfs/dbraw/zinc/29/41/78/511294178.db2.gz CCGRDFZDNIAUAR-CZUORRHYSA-N 1 0 354.410 2.570 20 5 FFBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NC1CC[NH+](CC2CC2)CC1 ZINC000280290386 511408536 /nfs/dbraw/zinc/40/85/36/511408536.db2.gz WIIAAKLKMGROGT-UHFFFAOYSA-N 1 0 369.824 2.920 20 5 FFBDRO CCN1CC[NH+](C[C@@H](C)CNc2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000295497821 511424824 /nfs/dbraw/zinc/42/48/24/511424824.db2.gz KNNRUIQHDAUEAW-HNNXBMFYSA-N 1 0 357.458 2.829 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)cc1SC ZINC000334042579 511435192 /nfs/dbraw/zinc/43/51/92/511435192.db2.gz TXVGUWTTWBRVQL-MNOVXSKESA-N 1 0 353.444 2.538 20 5 FFBDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000272258747 511482912 /nfs/dbraw/zinc/48/29/12/511482912.db2.gz MMANXTPZYACIRC-HUUCEWRRSA-N 1 0 360.458 2.785 20 5 FFBDRO COc1cc(C[N@H+](C)C2(CO)CCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000292183404 511497256 /nfs/dbraw/zinc/49/72/56/511497256.db2.gz QRMHBZLGAONAIT-UHFFFAOYSA-N 1 0 360.357 2.594 20 5 FFBDRO CCC(=O)c1ccc(N2CC[NH+](CC3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000280634237 511541625 /nfs/dbraw/zinc/54/16/25/511541625.db2.gz CPZCKBDIZNFTLM-UHFFFAOYSA-N 1 0 361.442 2.736 20 5 FFBDRO CC[C@@H](C)[NH+]1CCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000295935912 511560100 /nfs/dbraw/zinc/56/01/00/511560100.db2.gz GIEBRTRNCSSIMI-GFCCVEGCSA-N 1 0 354.838 2.603 20 5 FFBDRO C[C@H]1CN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC[N@@H+](C2CC2)C1 ZINC000295960825 511569883 /nfs/dbraw/zinc/56/98/83/511569883.db2.gz HUCLNMWWVAOEJP-HNNXBMFYSA-N 1 0 369.469 2.911 20 5 FFBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NC1CC[NH+](CC2CC2)CC1 ZINC000299291973 511580495 /nfs/dbraw/zinc/58/04/95/511580495.db2.gz JXDLFPCFUGBOGJ-UHFFFAOYSA-N 1 0 356.426 2.540 20 5 FFBDRO CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC000296059069 511605002 /nfs/dbraw/zinc/60/50/02/511605002.db2.gz VRBVYKQUIONCKO-UHFFFAOYSA-N 1 0 358.446 2.794 20 5 FFBDRO CCOCCC[N@@H+]1CC[C@H](N[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000284217789 511645961 /nfs/dbraw/zinc/64/59/61/511645961.db2.gz TUDLWNLDNCTKQN-MPGHIAIKSA-N 1 0 364.490 2.965 20 5 FFBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@H](O)c3ccc(Cl)cc3)CC2)n1 ZINC000365819057 511667600 /nfs/dbraw/zinc/66/76/00/511667600.db2.gz IDRSAPOBECGGFB-HNNXBMFYSA-N 1 0 350.806 2.815 20 5 FFBDRO CCOc1ccc([C@H](C)[NH2+]CC2(S(C)(=O)=O)CCC2)cc1[N+](=O)[O-] ZINC000281006136 511685362 /nfs/dbraw/zinc/68/53/62/511685362.db2.gz NXCIEFBMSKXFIO-LBPRGKRZSA-N 1 0 356.444 2.611 20 5 FFBDRO O=C(C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000296288941 511686317 /nfs/dbraw/zinc/68/63/17/511686317.db2.gz OZLQZZWCGURAOM-XZJROXQQSA-N 1 0 365.817 2.734 20 5 FFBDRO C[C@H](c1ccccc1)[NH+]1CCC(Nc2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000301314226 511693742 /nfs/dbraw/zinc/69/37/42/511693742.db2.gz LEXVRKZCYBLABD-CYBMUJFWSA-N 1 0 369.425 2.726 20 5 FFBDRO C[NH+](C)CC1(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])CCC1 ZINC000281188270 511753328 /nfs/dbraw/zinc/75/33/28/511753328.db2.gz ZJTNYCJLEXRANK-UHFFFAOYSA-N 1 0 356.220 2.571 20 5 FFBDRO Cc1ccc(C[NH+]2CCC(CNC(=O)C(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC000281213533 511761721 /nfs/dbraw/zinc/76/17/21/511761721.db2.gz JVKQBJGKRVJOHM-UHFFFAOYSA-N 1 0 359.348 2.794 20 5 FFBDRO C[C@H](CNc1ccc(I)cc1[N+](=O)[O-])C[NH+](C)C ZINC000310785460 511772650 /nfs/dbraw/zinc/77/26/50/511772650.db2.gz SRGZAVWEDMOFEY-SECBINFHSA-N 1 0 363.199 2.809 20 5 FFBDRO COc1cc(-c2nc([C@@H]3C[N@@H+]4CCC[C@]4(C)CO3)no2)ccc1[N+](=O)[O-] ZINC000350340288 511784188 /nfs/dbraw/zinc/78/41/88/511784188.db2.gz NTDZWVMAGYVCNX-WMLDXEAASA-N 1 0 360.370 2.579 20 5 FFBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000363825278 511791324 /nfs/dbraw/zinc/79/13/24/511791324.db2.gz PLHLTOOQHIRUQU-XWPOBMPPSA-N 1 0 373.453 2.708 20 5 FFBDRO CCOc1ccc(-c2nc([C@H]3C[N@@H+]4CCC[C@@]4(C)CO3)no2)cc1[N+](=O)[O-] ZINC000350381691 511797528 /nfs/dbraw/zinc/79/75/28/511797528.db2.gz FEUGGKRVAUTMBJ-QAPCUYQASA-N 1 0 374.397 2.969 20 5 FFBDRO CCn1nccc1C1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000366109377 511844543 /nfs/dbraw/zinc/84/45/43/511844543.db2.gz PMEVCCFJULCQHB-UHFFFAOYSA-N 1 0 371.441 2.654 20 5 FFBDRO O=C(NCC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1)C(F)(F)F ZINC000281460555 511857387 /nfs/dbraw/zinc/85/73/87/511857387.db2.gz VHJNLAKZJCPJGE-UHFFFAOYSA-N 1 0 359.348 2.528 20 5 FFBDRO CN(CC[N@H+](C)C1CC1)C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000274570416 511877480 /nfs/dbraw/zinc/87/74/80/511877480.db2.gz MAKRPPBDRWTADA-UHFFFAOYSA-N 1 0 374.210 2.663 20 5 FFBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000327636725 511879799 /nfs/dbraw/zinc/87/97/99/511879799.db2.gz ALVNRUZGCROEIX-OAHLLOKOSA-N 1 0 363.439 2.662 20 5 FFBDRO O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cn1 ZINC000366198522 511895810 /nfs/dbraw/zinc/89/58/10/511895810.db2.gz VFHPDRTWFUQDCD-MRXNPFEDSA-N 1 0 354.410 2.632 20 5 FFBDRO CNC(=O)c1cccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000296803247 511903273 /nfs/dbraw/zinc/90/32/73/511903273.db2.gz ULBWOUSBTNLMGM-QWHCGFSZSA-N 1 0 370.409 2.632 20 5 FFBDRO CC(C)c1n[nH]c(C(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000274699456 511913392 /nfs/dbraw/zinc/91/33/92/511913392.db2.gz NFYMDEHIAMSEQR-MLGOLLRUSA-N 1 0 359.430 2.863 20 5 FFBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000366382900 511991213 /nfs/dbraw/zinc/99/12/13/511991213.db2.gz BUXNARYJOAHEJI-DOTOQJQBSA-N 1 0 358.442 2.896 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N3CC[C@@H]4[NH2+]CC[C@@H]4C3)cc2[N+](=O)[O-])CC1 ZINC000293593000 512021086 /nfs/dbraw/zinc/02/10/86/512021086.db2.gz ZGMXHJBRPIFWJN-SJORKVTESA-N 1 0 372.469 2.655 20 5 FFBDRO CS[C@@H]1CN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000275129603 512050311 /nfs/dbraw/zinc/05/03/11/512050311.db2.gz OJYMBBLIDJMHHV-UONOGXRCSA-N 1 0 369.874 2.900 20 5 FFBDRO COc1ccc([C@H]2CCN(C(=O)c3ccccc3[N+](=O)[O-])C[C@@H]2[NH3+])cc1F ZINC000297186224 512052168 /nfs/dbraw/zinc/05/21/68/512052168.db2.gz LLGKGCAZJNWPMJ-CJNGLKHVSA-N 1 0 373.384 2.700 20 5 FFBDRO Cc1cc(C2=CCN(Cc3cnc4cnccn34)CC2)cc([N+](=O)[O-])c1N ZINC000359869184 512053189 /nfs/dbraw/zinc/05/31/89/512053189.db2.gz HYSMYKHOWZTFEM-UHFFFAOYSA-N 1 0 364.409 2.817 20 5 FFBDRO O=C(NCC(F)(F)F)[C@H]1CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000275156919 512059335 /nfs/dbraw/zinc/05/93/35/512059335.db2.gz WJEVSIWTMMXQBD-LQPUYASZSA-N 1 0 357.332 2.608 20 5 FFBDRO CN(C(=O)C[N@@H+]1CCC[C@H](C[C@H]2CCOC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000375830525 512529013 /nfs/dbraw/zinc/52/90/13/512529013.db2.gz KLRVPZBMJABWGJ-HZPDHXFCSA-N 1 0 361.442 2.696 20 5 FFBDRO CCOc1ccc(C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000369684981 512553382 /nfs/dbraw/zinc/55/33/82/512553382.db2.gz AUQDMUWOKBMQKM-OAHLLOKOSA-N 1 0 361.442 2.942 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2nnc(CN3CCC[C@H]([NH+]4CCCC4)C3)o2)cc1 ZINC000373929171 512575227 /nfs/dbraw/zinc/57/52/27/512575227.db2.gz MHJQUQHEWWNNPD-INIZCTEOSA-N 1 0 357.414 2.705 20 5 FFBDRO C[C@@H]1CN(C[C@H]2CCC[N@@H+]2CCOc2ccccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000374028060 512630561 /nfs/dbraw/zinc/63/05/61/512630561.db2.gz VYVMGPPATCRFJP-BRWVUGGUSA-N 1 0 363.458 2.547 20 5 FFBDRO C[NH+]1CCC2(CCCN(C(=O)CCOc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000374102968 512660679 /nfs/dbraw/zinc/66/06/79/512660679.db2.gz WZJSYWQVBPHQMK-UHFFFAOYSA-N 1 0 361.442 2.698 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000372164082 512739858 /nfs/dbraw/zinc/73/98/58/512739858.db2.gz JVGIVFXIAFLDNX-RLCCDNCMSA-N 1 0 367.833 2.572 20 5 FFBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC(c2c(F)cccc2F)CC1 ZINC000376332138 512772822 /nfs/dbraw/zinc/77/28/22/512772822.db2.gz KMBYJJNZBXSCKJ-UHFFFAOYSA-N 1 0 363.364 2.914 20 5 FFBDRO NC(=O)c1ccc(C[NH2+][C@H](c2ccccc2)[C@@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000378529115 512808506 /nfs/dbraw/zinc/80/85/06/512808506.db2.gz UDRBQJUCUFCFIY-SJLPKXTDSA-N 1 0 355.394 2.561 20 5 FFBDRO O=[N+]([O-])c1cc(CN2C[C@H](O)C[C@H]2c2ccccc2)c2c(c1)COCO2 ZINC000411949952 512885543 /nfs/dbraw/zinc/88/55/43/512885543.db2.gz QSXAMSSDQKCRDS-MSOLQXFVSA-N 1 0 356.378 2.769 20 5 FFBDRO 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CC(C)(O)C[N@@H+]1CCc2c(cccc2NC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000374613206 512916865 /nfs/dbraw/zinc/91/68/65/512916865.db2.gz RHWRSIAGFVTSMQ-UHFFFAOYSA-N 1 0 369.421 2.976 20 5 FFBDRO CCn1nc(C)c([N+](=O)[O-])c1NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397529128 512947432 /nfs/dbraw/zinc/94/74/32/512947432.db2.gz ZOYZBPFWRFXPBP-UHFFFAOYSA-N 1 0 373.457 2.559 20 5 FFBDRO COC(=O)[C@@]1(C)CCC[N@@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000412079907 512949088 /nfs/dbraw/zinc/94/90/88/512949088.db2.gz VJFVADUOZQQRAL-SGTLLEGYSA-N 1 0 374.397 2.981 20 5 FFBDRO O=C(CC[N@@H+]1CCC[C@@H](c2ccncn2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000372599285 512962387 /nfs/dbraw/zinc/96/23/87/512962387.db2.gz KFEUOGOFHWMIMT-CYBMUJFWSA-N 1 0 373.388 2.732 20 5 FFBDRO O=C(C[NH2+]C1(C2CC2)CCOCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000368491311 512972740 /nfs/dbraw/zinc/97/27/40/512972740.db2.gz UAXKORRSRGXQHP-UHFFFAOYSA-N 1 0 353.806 2.736 20 5 FFBDRO C[NH+]1CCC(N2CC[C@@H]([NH2+][C@@H](Cc3ccccc3[N+](=O)[O-])C3CC3)C2)CC1 ZINC000370624067 513019929 /nfs/dbraw/zinc/01/99/29/513019929.db2.gz GOTWQTBXNGWYNZ-QUCCMNQESA-N 1 0 372.513 2.674 20 5 FFBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC000412357091 513052086 /nfs/dbraw/zinc/05/20/86/513052086.db2.gz DNNMXKFZVRMOKD-LBPRGKRZSA-N 1 0 355.410 2.522 20 5 FFBDRO O=C(Cc1ccccc1[N+](=O)[O-])N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000374880713 513052946 /nfs/dbraw/zinc/05/29/46/513052946.db2.gz MLJWINYSOJDCDQ-IAGOWNOFSA-N 1 0 357.385 2.538 20 5 FFBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CCC3(CCC[N@H+]3C)CC2)cc1[N+](=O)[O-] ZINC000368699593 513066086 /nfs/dbraw/zinc/06/60/86/513066086.db2.gz FMPANETXGVEFMC-UHFFFAOYSA-N 1 0 362.386 2.512 20 5 FFBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H](Cc3ccncc3)C2)c2c(c1)COCO2 ZINC000370719307 513069285 /nfs/dbraw/zinc/06/92/85/513069285.db2.gz KIMHEIPBLVKPSB-HNNXBMFYSA-N 1 0 355.394 2.921 20 5 FFBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CC1 ZINC000372865685 513080108 /nfs/dbraw/zinc/08/01/08/513080108.db2.gz KKTOZRPWEPEXLF-HNNXBMFYSA-N 1 0 360.458 2.751 20 5 FFBDRO CN(C(=O)C[N@@H+]1CC[C@H](Cc2ccncc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000374935496 513080827 /nfs/dbraw/zinc/08/08/27/513080827.db2.gz YJZRECVXLWBPIY-MRXNPFEDSA-N 1 0 354.410 2.517 20 5 FFBDRO CC(C)c1n[nH]c(C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000433832096 513162869 /nfs/dbraw/zinc/16/28/69/513162869.db2.gz HGRMBDUQAIETPA-CHWSQXEVSA-N 1 0 351.451 2.539 20 5 FFBDRO C[C@@H]1C[N@@H+](CCCCNc2nccc3c2cccc3[N+](=O)[O-])C[C@H](C)O1 ZINC000450373560 513165048 /nfs/dbraw/zinc/16/50/48/513165048.db2.gz CSHDRCBVOAJXMQ-GASCZTMLSA-N 1 0 358.442 2.866 20 5 FFBDRO C[C@@H](NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000428966304 513234851 /nfs/dbraw/zinc/23/48/51/513234851.db2.gz KCJVORHZWGXPDQ-NEPJUHHUSA-N 1 0 355.822 2.521 20 5 FFBDRO Cc1ccc([C@H](C)NC(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000417850222 513237348 /nfs/dbraw/zinc/23/73/48/513237348.db2.gz MHEVBYGXHOSTME-BHYGNILZSA-N 1 0 360.458 2.995 20 5 FFBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000429007862 513249715 /nfs/dbraw/zinc/24/97/15/513249715.db2.gz WLHRVSOBMCJBBC-RVKKMQEKSA-N 1 0 360.458 2.586 20 5 FFBDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000446492625 513271174 /nfs/dbraw/zinc/27/11/74/513271174.db2.gz ALAJKFHSQBQFDE-MRXNPFEDSA-N 1 0 364.446 2.868 20 5 FFBDRO [NH3+]C1(CNC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CCCCC1 ZINC000417993025 513323054 /nfs/dbraw/zinc/32/30/54/513323054.db2.gz PRDOIAVJPHUZLX-UHFFFAOYSA-N 1 0 354.838 2.752 20 5 FFBDRO CCC1(CC)[C@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1OC ZINC000429320996 513339399 /nfs/dbraw/zinc/33/93/99/513339399.db2.gz ZCXOHCZFCZOICT-USXIJHARSA-N 1 0 352.431 2.518 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c(F)c1 ZINC000440594888 513360256 /nfs/dbraw/zinc/36/02/56/513360256.db2.gz CJICUMFDGQCPSS-SFHVURJKSA-N 1 0 363.364 2.922 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000429396308 513364375 /nfs/dbraw/zinc/36/43/75/513364375.db2.gz FNXSSBVNQBSATL-AWEZNQCLSA-N 1 0 360.458 2.648 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(CC[NH2+]C)CC1 ZINC000415655926 513364962 /nfs/dbraw/zinc/36/49/62/513364962.db2.gz KRTASKSZEYVXKK-UHFFFAOYSA-N 1 0 350.419 2.847 20 5 FFBDRO Cc1c(NC(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)cc(Br)cc1[N+](=O)[O-] ZINC000415661289 513367658 /nfs/dbraw/zinc/36/76/58/513367658.db2.gz QBZWNASTTPEFQO-ZJUUUORDSA-N 1 0 371.235 2.867 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000415663419 513368842 /nfs/dbraw/zinc/36/88/42/513368842.db2.gz RZEIERSQWDZSBH-AWEZNQCLSA-N 1 0 362.430 2.847 20 5 FFBDRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000418107570 513375188 /nfs/dbraw/zinc/37/51/88/513375188.db2.gz FBFUFFIGPUELSM-GJZGRUSLSA-N 1 0 359.426 2.742 20 5 FFBDRO CC1(CNC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000415690428 513381635 /nfs/dbraw/zinc/38/16/35/513381635.db2.gz DNBYPQHBUDYLRQ-UHFFFAOYSA-N 1 0 371.235 2.869 20 5 FFBDRO C[C@H]([NH3+])C1CCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000415701408 513388278 /nfs/dbraw/zinc/38/82/78/513388278.db2.gz OJGADZZYTCSMGB-VIFPVBQESA-N 1 0 371.235 2.948 20 5 FFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CCCN(c2ccnn2C)C1 ZINC000447071710 513392031 /nfs/dbraw/zinc/39/20/31/513392031.db2.gz BQSSZGKPMBYWOT-JMPLCFMRSA-N 1 0 355.442 2.990 20 5 FFBDRO C[C@@H]1CCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000415708083 513392688 /nfs/dbraw/zinc/39/26/88/513392688.db2.gz WSKZBGBMNULCIO-ZJUUUORDSA-N 1 0 371.235 2.806 20 5 FFBDRO COc1ccc([C@H](CNc2ncc([N+](=O)[O-])cc2F)[NH+](C)C)cc1OC ZINC000413030768 513395160 /nfs/dbraw/zinc/39/51/60/513395160.db2.gz VRKGDUDLTRUULU-AWEZNQCLSA-N 1 0 364.377 2.861 20 5 FFBDRO CC(C)(CO)[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000429712571 513448124 /nfs/dbraw/zinc/44/81/24/513448124.db2.gz BZUICODRSDAQQM-PKOBYXMFSA-N 1 0 374.437 2.684 20 5 FFBDRO Cc1ncsc1CN(C[C@H]1CC[NH2+]C1)C(=O)c1ccccc1[N+](=O)[O-] ZINC000447448247 513479832 /nfs/dbraw/zinc/47/98/32/513479832.db2.gz LBSKCTPYJFYTBZ-ZDUSSCGKSA-N 1 0 360.439 2.612 20 5 FFBDRO CC[NH+](CC)CCO[C@@H]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000435023563 513490845 /nfs/dbraw/zinc/49/08/45/513490845.db2.gz LNMWUYHFQUVPHD-OAHLLOKOSA-N 1 0 362.430 2.669 20 5 FFBDRO CC(C)(C)OC(=O)CCC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447531042 513498456 /nfs/dbraw/zinc/49/84/56/513498456.db2.gz PSEWDKZNYULCBL-KGLIPLIRSA-N 1 0 352.435 2.987 20 5 FFBDRO C[C@H](NC(=O)Nc1ccc2c(c1)C[NH2+]CCO2)c1cccc([N+](=O)[O-])c1 ZINC000415966934 513504691 /nfs/dbraw/zinc/50/46/91/513504691.db2.gz CLYPMPATGMMROP-LBPRGKRZSA-N 1 0 356.382 2.960 20 5 FFBDRO 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O=[N+]([O-])c1cnc(NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)c(F)c1 ZINC000413232583 513536764 /nfs/dbraw/zinc/53/67/64/513536764.db2.gz CIYSYIPHHMVXLO-OAHLLOKOSA-N 1 0 360.389 2.698 20 5 FFBDRO O=C(CC[NH+]1CCC2(CCC(O)CC2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000451152052 513553727 /nfs/dbraw/zinc/55/37/27/513553727.db2.gz CEPCKOCORGBKFP-UHFFFAOYSA-N 1 0 361.442 2.941 20 5 FFBDRO O=C1[C@H]([NH+]2CCC3(CCC(O)CC3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000451154717 513555903 /nfs/dbraw/zinc/55/59/03/513555903.db2.gz NAXVTDZRUQMPOU-GOSISDBHSA-N 1 0 373.453 2.717 20 5 FFBDRO Cc1c(NC(=O)NC[C@H]2CCC[N@H+]2C)cc(Br)cc1[N+](=O)[O-] ZINC000435329467 513558027 /nfs/dbraw/zinc/55/80/27/513558027.db2.gz PQOOLYBUZURWFP-LLVKDONJSA-N 1 0 371.235 2.881 20 5 FFBDRO COc1cc(CN(C)CC(C)(C)C[NH3+])c([N+](=O)[O-])cc1OCC(F)F ZINC000435369877 513567878 /nfs/dbraw/zinc/56/78/78/513567878.db2.gz GHTLWACJYWULCV-UHFFFAOYSA-N 1 0 361.389 2.664 20 5 FFBDRO COCC[N@@H+]1CCC[C@@H]1CNc1c(Cl)cc([N+](=O)[O-])cc1C(=O)OC ZINC000447802621 513573031 /nfs/dbraw/zinc/57/30/31/513573031.db2.gz MAGZXCOHBPTTTA-LLVKDONJSA-N 1 0 371.821 2.558 20 5 FFBDRO COc1cc(C(=O)N(C)C(C)(C)C[NH+]2CCCC2)c([N+](=O)[O-])cc1F ZINC000416111832 513575832 /nfs/dbraw/zinc/57/58/32/513575832.db2.gz VZANMFUIVNCZPN-UHFFFAOYSA-N 1 0 353.394 2.689 20 5 FFBDRO C[C@@H](CNc1cc(CN2CCOCC2)ccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000447814606 513580336 /nfs/dbraw/zinc/58/03/36/513580336.db2.gz ZRRVFDXDJGRCOC-INIZCTEOSA-N 1 0 362.474 2.571 20 5 FFBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000418626922 513581534 /nfs/dbraw/zinc/58/15/34/513581534.db2.gz ADNKAHDKTVBPRF-LJQANCHMSA-N 1 0 368.437 2.666 20 5 FFBDRO COC(=O)COc1ccc(C[N@@H+]2CCC[C@H](CSC)C2)cc1[N+](=O)[O-] ZINC000430198543 513586878 /nfs/dbraw/zinc/58/68/78/513586878.db2.gz RUEJGLLWLWAZFJ-AWEZNQCLSA-N 1 0 368.455 2.722 20 5 FFBDRO CN(C(=O)[C@@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1)c1ccccc1 ZINC000430334030 513625855 /nfs/dbraw/zinc/62/58/55/513625855.db2.gz TYAOSXBXIMSFJL-MRXNPFEDSA-N 1 0 369.421 2.959 20 5 FFBDRO Cc1ncsc1CN(C[C@H]1CC[NH2+]C1)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000435603082 513632896 /nfs/dbraw/zinc/63/28/96/513632896.db2.gz GSYZUXRFGHBGCH-NSHDSACASA-N 1 0 366.468 2.673 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000430395211 513643673 /nfs/dbraw/zinc/64/36/73/513643673.db2.gz QNAYXDSEWQVMHU-JSGCOSHPSA-N 1 0 369.849 2.958 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)s1 ZINC000435637894 513646946 /nfs/dbraw/zinc/64/69/46/513646946.db2.gz QMAPHWGPBKJAAB-CYBMUJFWSA-N 1 0 373.500 2.732 20 5 FFBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2C[C@H](O)C[C@H]2[C@@H]2CCCOC2)c1 ZINC000451311869 513669122 /nfs/dbraw/zinc/66/91/22/513669122.db2.gz ZHNTWAOGJUNOOE-XFJVYGCCSA-N 1 0 374.359 2.975 20 5 FFBDRO [NH3+]CC[C@H]1CCCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000442622328 513746923 /nfs/dbraw/zinc/74/69/23/513746923.db2.gz ODIAQSBEGPYENW-GFCCVEGCSA-N 1 0 360.439 2.919 20 5 FFBDRO [NH3+]CC[C@@H]1CCCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000442627654 513748679 /nfs/dbraw/zinc/74/86/79/513748679.db2.gz WNTUSXFGODCGPY-INIZCTEOSA-N 1 0 363.461 2.742 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)[C@H](C)C1 ZINC000416406201 513755236 /nfs/dbraw/zinc/75/52/36/513755236.db2.gz FCGKTBUNWDOOMI-CABCVRRESA-N 1 0 369.487 2.562 20 5 FFBDRO C[C@H]([NH2+][C@@H]1CCO[C@@H](c2ccccn2)C1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000419310270 513770880 /nfs/dbraw/zinc/77/08/80/513770880.db2.gz QSRUYMXFTGUZHX-JCKWVBRZSA-N 1 0 370.409 2.827 20 5 FFBDRO CC1(C)[C@H]([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)C[C@H]1OCc1ccccc1 ZINC000451489388 513785061 /nfs/dbraw/zinc/78/50/61/513785061.db2.gz DZPNMHQSIZJCOU-QZTJIDSGSA-N 1 0 371.437 2.730 20 5 FFBDRO C[NH+](C)CCOC1CCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000436404388 513847226 /nfs/dbraw/zinc/84/72/26/513847226.db2.gz LZNBBCPZVKIUNL-UHFFFAOYSA-N 1 0 362.352 2.556 20 5 FFBDRO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000451586724 513848824 /nfs/dbraw/zinc/84/88/24/513848824.db2.gz JIWKOSIBSLFPIV-HIFRSBDPSA-N 1 0 363.414 2.553 20 5 FFBDRO CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000451594158 513854198 /nfs/dbraw/zinc/85/41/98/513854198.db2.gz ANMINDRPQSNSKT-KGLIPLIRSA-N 1 0 363.414 2.635 20 5 FFBDRO CC(C)[C@@H](CO)[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000451596749 513857100 /nfs/dbraw/zinc/85/71/00/513857100.db2.gz LVDQKLGUXSQVEP-AEFFLSMTSA-N 1 0 351.447 2.802 20 5 FFBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@H]([C@@H](CO)C2CC2)C2CC2)cccc1[N+](=O)[O-] ZINC000451616636 513868438 /nfs/dbraw/zinc/86/84/38/513868438.db2.gz WBSBGKITOAFBFK-QITLCBANSA-N 1 0 361.442 2.617 20 5 FFBDRO CCC[NH+]1CCC(N(C)C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000448773843 513891682 /nfs/dbraw/zinc/89/16/82/513891682.db2.gz XCETYDBSQZDKHF-UHFFFAOYSA-N 1 0 361.442 2.891 20 5 FFBDRO C[C@@H]1CN(C(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C[C@H](C)[NH2+]1 ZINC000422815265 513940372 /nfs/dbraw/zinc/94/03/72/513940372.db2.gz BDLDLRRNVZVQGJ-TXEJJXNPSA-N 1 0 353.397 2.643 20 5 FFBDRO CC(C)[C@H]([NH3+])CNC(=O)c1cc(F)cc2c1[nH]c1c(F)cccc1c2=O ZINC000422856054 513954080 /nfs/dbraw/zinc/95/40/80/513954080.db2.gz WLQJIPCUXVHUAX-OAHLLOKOSA-N 1 0 359.376 2.673 20 5 FFBDRO COc1cc(C(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000448932284 513978008 /nfs/dbraw/zinc/97/80/08/513978008.db2.gz HSAWPQFBQBITMG-TXEJJXNPSA-N 1 0 353.394 2.735 20 5 FFBDRO CC(C)(C(=O)NCCNc1ccc([N+](=O)[O-])cc1)[C@H]([NH3+])c1ccccc1 ZINC000422933872 513981854 /nfs/dbraw/zinc/98/18/54/513981854.db2.gz IOYNWERPQFTBFL-QGZVFWFLSA-N 1 0 356.426 2.849 20 5 FFBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000451859746 514026749 /nfs/dbraw/zinc/02/67/49/514026749.db2.gz AKTHWIBGIMYSPT-CQSZACIVSA-N 1 0 359.430 2.631 20 5 FFBDRO CC[NH2+]CC1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000420286163 514072850 /nfs/dbraw/zinc/07/28/50/514072850.db2.gz FSFNJZJUBQXXHA-UHFFFAOYSA-N 1 0 354.838 2.508 20 5 FFBDRO O=C(C[NH2+]C1(Cc2ccccc2)CCOCC1)Nc1ccccc1[N+](=O)[O-] ZINC000451943531 514085640 /nfs/dbraw/zinc/08/56/40/514085640.db2.gz WGPCAVNHJIOKOS-UHFFFAOYSA-N 1 0 369.421 2.915 20 5 FFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](CO)Cc1ccccc1 ZINC000437087286 514089241 /nfs/dbraw/zinc/08/92/41/514089241.db2.gz NTDYSVQEOVGZOF-YOEHRIQHSA-N 1 0 357.410 2.505 20 5 FFBDRO Cc1ccc([C@@H](C)NC(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)cc1[N+](=O)[O-] ZINC000423276168 514097760 /nfs/dbraw/zinc/09/77/60/514097760.db2.gz MMLFKMCFDKJVSU-CJNGLKHVSA-N 1 0 357.414 2.515 20 5 FFBDRO O=C1[C@H]([N@@H+]2CCC[C@]3(CCSC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000451963915 514098712 /nfs/dbraw/zinc/09/87/12/514098712.db2.gz IFCUVJNFIAGETF-AEFFLSMTSA-N 1 0 361.467 2.919 20 5 FFBDRO Cc1cc(OCC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000432197215 514123861 /nfs/dbraw/zinc/12/38/61/514123861.db2.gz WUGCKPYXLHYLQJ-FXAWDEMLSA-N 1 0 369.421 2.844 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](Cc1ccc(F)cc1)C(N)=O ZINC000449250718 514130361 /nfs/dbraw/zinc/13/03/61/514130361.db2.gz MMLLTTABGUISID-BBRMVZONSA-N 1 0 359.401 2.599 20 5 FFBDRO CCc1ccc([C@H](NC[C@H]2C[NH2+]CCCO2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000423493248 514151415 /nfs/dbraw/zinc/15/14/15/514151415.db2.gz PSNUURVFCCYLHZ-IEBWSBKVSA-N 1 0 359.426 2.808 20 5 FFBDRO COc1ccc(C[C@@H](CO)C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])cc1O ZINC000449325720 514166433 /nfs/dbraw/zinc/16/64/33/514166433.db2.gz PBDTVMGCGBLBDL-GDBMZVCRSA-N 1 0 374.437 2.681 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CS(=O)(=O)c2ccccc21 ZINC000449360933 514179330 /nfs/dbraw/zinc/17/93/30/514179330.db2.gz VYINOTBBCBSYPL-ZFWWWQNUSA-N 1 0 360.435 2.687 20 5 FFBDRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000423617363 514185862 /nfs/dbraw/zinc/18/58/62/514185862.db2.gz SYXXQPHQFBMRNE-MEDUHNTESA-N 1 0 353.397 2.691 20 5 FFBDRO COC[C@@](C)(O)CC[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000449385211 514189649 /nfs/dbraw/zinc/18/96/49/514189649.db2.gz PNPZATSJHCNGOC-SFHVURJKSA-N 1 0 364.398 2.741 20 5 FFBDRO CC1CC[NH+](C[C@H]2CCCN(c3c(C(N)=O)cccc3[N+](=O)[O-])C2)CC1 ZINC000420583793 514191176 /nfs/dbraw/zinc/19/11/76/514191176.db2.gz LELIHOJPFFSKCJ-OAHLLOKOSA-N 1 0 360.458 2.642 20 5 FFBDRO CC1CC[NH+](C[C@@H]2CCCN(c3c(C(N)=O)cccc3[N+](=O)[O-])C2)CC1 ZINC000420583792 514191398 /nfs/dbraw/zinc/19/13/98/514191398.db2.gz LELIHOJPFFSKCJ-HNNXBMFYSA-N 1 0 360.458 2.642 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@@H]3CCCN(CCCO)C3)o2)c1 ZINC000449393200 514192781 /nfs/dbraw/zinc/19/27/81/514192781.db2.gz BQSPDDJUNGDIEC-MRXNPFEDSA-N 1 0 359.426 2.791 20 5 FFBDRO COC[C@H]1CCC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1 ZINC000452103736 514193098 /nfs/dbraw/zinc/19/30/98/514193098.db2.gz MLZOEDQXRLPNAD-AWEZNQCLSA-N 1 0 363.414 2.641 20 5 FFBDRO COc1cc(C(=O)Nc2ccc3c(c2)C[NH2+]CCO3)cc([N+](=O)[O-])c1C ZINC000423651481 514194613 /nfs/dbraw/zinc/19/46/13/514194613.db2.gz OQLCCFPPRXWUSP-UHFFFAOYSA-N 1 0 357.366 2.646 20 5 FFBDRO CCOC(=O)c1cnn(C2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000449409594 514200676 /nfs/dbraw/zinc/20/06/76/514200676.db2.gz QRPBGLGONSBGHM-UHFFFAOYSA-N 1 0 358.398 2.805 20 5 FFBDRO O=C(c1cnn([C@@H]2CCC[NH2+]C2)c1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423718091 514210077 /nfs/dbraw/zinc/21/00/77/514210077.db2.gz BTYOMDMIHCVFQK-QGZVFWFLSA-N 1 0 369.425 2.521 20 5 FFBDRO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000423851339 514263109 /nfs/dbraw/zinc/26/31/09/514263109.db2.gz RSQKWUPCBFDBBO-SFHVURJKSA-N 1 0 359.813 2.796 20 5 FFBDRO CCOc1cc(NC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)c([N+](=O)[O-])cc1OCC ZINC000414753869 514274608 /nfs/dbraw/zinc/27/46/08/514274608.db2.gz FHFQSFISFMKIQH-NEPJUHHUSA-N 1 0 366.418 2.784 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[C@H]([NH3+])C2)cc1SC ZINC000449642204 514278313 /nfs/dbraw/zinc/27/83/13/514278313.db2.gz FWGWHWLHUSWUGZ-QWRGUYRKSA-N 1 0 353.444 2.573 20 5 FFBDRO COC(=O)c1cc([C@H](C)[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)oc1C ZINC000432778555 514283095 /nfs/dbraw/zinc/28/30/95/514283095.db2.gz DXXKEQGTZTXPPL-AAEUAGOBSA-N 1 0 374.397 2.925 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCCS(=O)(=O)C1)CCCC2 ZINC000417331611 514298304 /nfs/dbraw/zinc/29/83/04/514298304.db2.gz MOWWACYZSMBJAO-CXAGYDPISA-N 1 0 352.456 2.777 20 5 FFBDRO COC(=O)COc1ccc(CNc2ccc([C@H](C)[NH3+])cc2)cc1[N+](=O)[O-] ZINC000414800698 514300622 /nfs/dbraw/zinc/30/06/22/514300622.db2.gz IFRWYZJNKNMXAK-LBPRGKRZSA-N 1 0 359.382 2.778 20 5 FFBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000423992696 514325790 /nfs/dbraw/zinc/32/57/90/514325790.db2.gz GLUHFBRGSNZAOV-IBGZPJMESA-N 1 0 368.437 2.960 20 5 FFBDRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000423994613 514327338 /nfs/dbraw/zinc/32/73/38/514327338.db2.gz CHAZFXLEWHPMLJ-XJKSGUPXSA-N 1 0 367.833 2.607 20 5 FFBDRO C[C@@H]1CCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@H]1C[NH3+] ZINC000423997773 514328495 /nfs/dbraw/zinc/32/84/95/514328495.db2.gz AGRSONAQAUNDGV-DGCLKSJQSA-N 1 0 360.439 2.775 20 5 FFBDRO COc1cc(C(=O)N2CC[NH2+]C[C@@H]2c2ccccc2)cc([N+](=O)[O-])c1C ZINC000424012229 514340229 /nfs/dbraw/zinc/34/02/29/514340229.db2.gz ZOXRUXLZRAWCJJ-QGZVFWFLSA-N 1 0 355.394 2.699 20 5 FFBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000427906049 514344086 /nfs/dbraw/zinc/34/40/86/514344086.db2.gz RCXJRCBPSBCNQI-CQSZACIVSA-N 1 0 372.425 2.512 20 5 FFBDRO C[C@@H](CNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[N@@H+]1CCCC[C@@H]1C ZINC000444850053 514350522 /nfs/dbraw/zinc/35/05/22/514350522.db2.gz NXVSPXIIPWBEMQ-STQMWFEESA-N 1 0 374.445 2.533 20 5 FFBDRO C[C@@H]1C[C@@H](C)N(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000424053114 514359631 /nfs/dbraw/zinc/35/96/31/514359631.db2.gz NWJBEPHBSKXYGI-IIAWOOMASA-N 1 0 360.458 2.640 20 5 FFBDRO CC[C@@H]1C[N@@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C[C@H](CC)O1 ZINC000420949217 514396747 /nfs/dbraw/zinc/39/67/47/514396747.db2.gz FEHMPKLDFJOXEH-GASCZTMLSA-N 1 0 363.414 2.782 20 5 FFBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NCC3CC[NH2+]CC3)cc2[N+](=O)[O-])C1 ZINC000428152073 514409221 /nfs/dbraw/zinc/40/92/21/514409221.db2.gz GWOHVUYEIKPRRF-HUUCEWRRSA-N 1 0 374.485 2.807 20 5 FFBDRO CN(c1ccccc1)c1ccc(CNC[C@@H]2C[NH2+]CCCO2)cc1[N+](=O)[O-] ZINC000415046226 514414035 /nfs/dbraw/zinc/41/40/35/514414035.db2.gz UQTGWKKRDKGROT-SFHVURJKSA-N 1 0 370.453 2.831 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000449973932 514449152 /nfs/dbraw/zinc/44/91/52/514449152.db2.gz SYSMDXLAEWFQEE-GDBMZVCRSA-N 1 0 361.442 2.889 20 5 FFBDRO COc1cc(C(=O)NC[C@H]2CCCC[N@@H+]2CC(C)C)c([N+](=O)[O-])cc1F ZINC000450192873 514534026 /nfs/dbraw/zinc/53/40/26/514534026.db2.gz LKGRTLUGCTYTNU-CYBMUJFWSA-N 1 0 367.421 2.983 20 5 FFBDRO Cn1nccc1[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCO1 ZINC000453355874 514606949 /nfs/dbraw/zinc/60/69/49/514606949.db2.gz RHCRPVPYHGJRJR-AIANPOQGSA-N 1 0 374.445 2.518 20 5 FFBDRO COc1c(C(=O)N[C@H](C[NH+](C)C)c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000488912054 514630793 /nfs/dbraw/zinc/63/07/93/514630793.db2.gz NEHOGCUODMRQAK-OAHLLOKOSA-N 1 0 361.373 2.775 20 5 FFBDRO CC[C@@H](C)[NH+]1CCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2CC)CC1 ZINC000453457363 514651780 /nfs/dbraw/zinc/65/17/80/514651780.db2.gz ALKBJAPZFAYHLB-CQSZACIVSA-N 1 0 358.446 2.794 20 5 FFBDRO Cc1cc(NCCc2cn3c(n2)SCC3)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000466497733 514664376 /nfs/dbraw/zinc/66/43/76/514664376.db2.gz UNWGJFCPTMLNAP-UHFFFAOYSA-N 1 0 355.423 2.830 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1CCCC[C@H]1OC(F)F ZINC000502580214 514705142 /nfs/dbraw/zinc/70/51/42/514705142.db2.gz SHZWZUNRGNGSHN-DGCLKSJQSA-N 1 0 373.356 2.682 20 5 FFBDRO COc1cc(CN(CCC[NH3+])Cc2ccccc2)c([N+](=O)[O-])cc1OC ZINC000479960779 514790974 /nfs/dbraw/zinc/79/09/74/514790974.db2.gz TYXZADMINNDGLC-UHFFFAOYSA-N 1 0 359.426 2.963 20 5 FFBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000484826025 514807485 /nfs/dbraw/zinc/80/74/85/514807485.db2.gz AMAUHEDYTXLGEO-UHFFFAOYSA-N 1 0 360.389 2.637 20 5 FFBDRO C[N@H+](Cc1ccccc1)C1CN(C(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000498382239 514891098 /nfs/dbraw/zinc/89/10/98/514891098.db2.gz BQPQNHNKUBEKQQ-UHFFFAOYSA-N 1 0 368.437 2.663 20 5 FFBDRO COc1c(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000476060505 514903750 /nfs/dbraw/zinc/90/37/50/514903750.db2.gz FCLDASRVJYXQIC-MRXNPFEDSA-N 1 0 369.421 2.998 20 5 FFBDRO COc1ccc(NC(=O)N2CC([N@H+](C)Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000480341500 514926742 /nfs/dbraw/zinc/92/67/42/514926742.db2.gz YPUJSXLIPAMHEF-UHFFFAOYSA-N 1 0 370.409 2.952 20 5 FFBDRO O=C(C1CC1)N1CCC([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000480533460 514989795 /nfs/dbraw/zinc/98/97/95/514989795.db2.gz XJUJOHJWVXNCEN-GOSISDBHSA-N 1 0 357.454 2.907 20 5 FFBDRO Cc1ccccc1C[C@H](CO)[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000467378988 514990993 /nfs/dbraw/zinc/99/09/93/514990993.db2.gz VLLRNPCSEFKAAI-MAUKXSAKSA-N 1 0 371.437 2.814 20 5 FFBDRO Cc1cc(NCC2(C)CC[NH+](C)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000503302464 514994208 /nfs/dbraw/zinc/99/42/08/514994208.db2.gz NAORYXUDWGBIHG-UHFFFAOYSA-N 1 0 355.442 2.926 20 5 FFBDRO CSCC[C@H]([NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])C(=O)N(C)C ZINC000489955815 515045986 /nfs/dbraw/zinc/04/59/86/515045986.db2.gz LTCCWXNTUDEMRP-ZFWWWQNUSA-N 1 0 353.488 2.715 20 5 FFBDRO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1)C1CC1 ZINC000462483552 515077429 /nfs/dbraw/zinc/07/74/29/515077429.db2.gz FQJXXJHDTYQZHP-QGZVFWFLSA-N 1 0 356.426 2.743 20 5 FFBDRO CCS[C@H]1CCCC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000480866807 515118357 /nfs/dbraw/zinc/11/83/57/515118357.db2.gz RKUVMKCTISTZMH-RDJZCZTQSA-N 1 0 354.472 2.942 20 5 FFBDRO Cc1c(CNC(=O)N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000490204019 515140008 /nfs/dbraw/zinc/14/00/08/515140008.db2.gz SKPSJCBKKVNGSV-PMUMKWKESA-N 1 0 360.458 2.775 20 5 FFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H](SC)[C@@H]([NH+](C)C)C1 ZINC000462768682 515232545 /nfs/dbraw/zinc/23/25/45/515232545.db2.gz QJMOFZDPLLLEKH-HYVNUMGLSA-N 1 0 365.499 2.668 20 5 FFBDRO CC(C)[NH+](CCN(C)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)C(C)C ZINC000504186287 515240472 /nfs/dbraw/zinc/24/04/72/515240472.db2.gz ROCQLKYCDFCKFG-UHFFFAOYSA-N 1 0 373.457 2.971 20 5 FFBDRO CCOC(=O)CC(C)(C)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000490671613 515278458 /nfs/dbraw/zinc/27/84/58/515278458.db2.gz IPSSFWPVGDJCKZ-UHFFFAOYSA-N 1 0 371.821 2.850 20 5 FFBDRO COc1cc(N2CC[NH+](CCOc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000462930383 515305430 /nfs/dbraw/zinc/30/54/30/515305430.db2.gz VDXRCQJSHMJLFO-UHFFFAOYSA-N 1 0 357.410 2.804 20 5 FFBDRO COc1c(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000477128427 515341161 /nfs/dbraw/zinc/34/11/61/515341161.db2.gz PYVMFWVUMMGMFQ-INIZCTEOSA-N 1 0 369.421 2.855 20 5 FFBDRO O=C(CC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)NCc1ccccc1 ZINC000472629467 515344420 /nfs/dbraw/zinc/34/44/20/515344420.db2.gz LFIYEMMPEZRWDV-IRXDYDNUSA-N 1 0 371.441 2.571 20 5 FFBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000499698809 515416960 /nfs/dbraw/zinc/41/69/60/515416960.db2.gz YCSPJMHZKBJWQG-OAHLLOKOSA-N 1 0 371.441 2.775 20 5 FFBDRO CCOC(=O)c1csc(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2F)n1 ZINC000468602794 515432126 /nfs/dbraw/zinc/43/21/26/515432126.db2.gz ZOCZOZNYKOHHGJ-UHFFFAOYSA-N 1 0 353.375 2.699 20 5 FFBDRO C[C@@H]1C[C@H](CCNC(=O)c2ccc([N+](=O)[O-])n2C)C[N@@H+]1Cc1ccccc1 ZINC000510150549 515451079 /nfs/dbraw/zinc/45/10/79/515451079.db2.gz WMKVEKYAKKDKMB-WBVHZDCISA-N 1 0 370.453 2.964 20 5 FFBDRO C[N@@H+]1C[C@@H](NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)[C@@H](c2ccccc2)C1 ZINC000481793545 515469974 /nfs/dbraw/zinc/46/99/74/515469974.db2.gz KKWMTEZKDDGUMM-IEBWSBKVSA-N 1 0 364.405 2.904 20 5 FFBDRO CN1CC[N@H+](C)C[C@@H]1CN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000492178021 515510337 /nfs/dbraw/zinc/51/03/37/515510337.db2.gz JFGXHTIJMDDQAM-VQTJNVASSA-N 1 0 354.454 2.520 20 5 FFBDRO CC(C)[C@H]1CN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000486517927 515522006 /nfs/dbraw/zinc/52/20/06/515522006.db2.gz WTKNWHIYZMPCJM-MRXNPFEDSA-N 1 0 368.865 2.772 20 5 FFBDRO CS(=O)(=O)c1ccc(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])s1 ZINC000468827795 515539622 /nfs/dbraw/zinc/53/96/22/515539622.db2.gz DOJMQGFGTPNRCE-XQRVVYSFSA-N 1 0 352.437 2.863 20 5 FFBDRO Cc1c(Br)cc(C(=O)N2CC[N@@H+](C)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000510472445 515549707 /nfs/dbraw/zinc/54/97/07/515549707.db2.gz GDCPSHZZXRPMDI-JTQLQIEISA-N 1 0 370.247 2.832 20 5 FFBDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000486666927 515588568 /nfs/dbraw/zinc/58/85/68/515588568.db2.gz SKYFEXRPBQAGHR-CYBMUJFWSA-N 1 0 369.412 2.900 20 5 FFBDRO C[NH+](C)CCOc1cccc(NC(=O)CNc2ccccc2[N+](=O)[O-])c1 ZINC000500103262 515590733 /nfs/dbraw/zinc/59/07/33/515590733.db2.gz BXPSEMSYUFIKDA-UHFFFAOYSA-N 1 0 358.398 2.586 20 5 FFBDRO O=[N+]([O-])c1cccnc1N1CCN(C[C@H]2CCC3(CCCCC3)O2)CC1 ZINC000459511497 515607647 /nfs/dbraw/zinc/60/76/47/515607647.db2.gz PKTVQRWCWSVGLF-MRXNPFEDSA-N 1 0 360.458 2.994 20 5 FFBDRO O=C(NC1CC([NH+]2CCCCC2)C1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000477973887 515657013 /nfs/dbraw/zinc/65/70/13/515657013.db2.gz VCIITRHMTDAZLP-UHFFFAOYSA-N 1 0 369.368 2.943 20 5 FFBDRO COc1ccc(C(=O)Nc2cccc(OCC[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000500293196 515658436 /nfs/dbraw/zinc/65/84/36/515658436.db2.gz KGOBZDSYHZYIAG-UHFFFAOYSA-N 1 0 359.382 2.796 20 5 FFBDRO CC(C)[NH+](CCN(C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C(C)C ZINC000505826104 515687688 /nfs/dbraw/zinc/68/76/88/515687688.db2.gz OOFGYSPWAQSVDM-UHFFFAOYSA-N 1 0 362.474 2.535 20 5 FFBDRO C[NH+](C)[C@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]1)c1cccc(C(F)(F)F)c1 ZINC000469141423 515689454 /nfs/dbraw/zinc/68/94/54/515689454.db2.gz XPAMDVDKUFNWRO-CQSZACIVSA-N 1 0 370.331 2.974 20 5 FFBDRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000505857073 515698658 /nfs/dbraw/zinc/69/86/58/515698658.db2.gz NQPKRAIWSCZVEE-WDEREUQCSA-N 1 0 374.363 2.624 20 5 FFBDRO CC(C)[NH+](CCN(C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000505901465 515717521 /nfs/dbraw/zinc/71/75/21/515717521.db2.gz RLDPYMGOPXLNOC-UHFFFAOYSA-N 1 0 350.463 2.974 20 5 FFBDRO C[C@@H]1[C@@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1Cc1ccccc1 ZINC000494040583 515719320 /nfs/dbraw/zinc/71/93/20/515719320.db2.gz YDJCFHMSDKABAH-BEFAXECRSA-N 1 0 369.421 2.753 20 5 FFBDRO C[C@@H]1[C@H](NC(=O)CNc2ccccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000494061265 515723448 /nfs/dbraw/zinc/72/34/48/515723448.db2.gz VKMFQDBXLXJQJW-NVXWUHKLSA-N 1 0 368.437 2.786 20 5 FFBDRO CN1C(=O)C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(F)c(F)c1 ZINC000494221738 515774861 /nfs/dbraw/zinc/77/48/61/515774861.db2.gz ZWLWKMUGWBWXDK-QAPCUYQASA-N 1 0 361.348 2.935 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](CO)c1ccc(OC)cc1 ZINC000459732620 515776883 /nfs/dbraw/zinc/77/68/83/515776883.db2.gz JGQODWZAGJGBKU-MRXNPFEDSA-N 1 0 360.410 2.868 20 5 FFBDRO CO[C@@H]1C[C@H]([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C12CCC2 ZINC000459740689 515781438 /nfs/dbraw/zinc/78/14/38/515781438.db2.gz BNRAASGHTFALPQ-UONOGXRCSA-N 1 0 353.806 2.734 20 5 FFBDRO C[N@H+](CCC(=O)N1CCOc2ccccc21)CCc1ccccc1[N+](=O)[O-] ZINC000511142001 515803224 /nfs/dbraw/zinc/80/32/24/515803224.db2.gz YDRHQXVAGPLFAH-UHFFFAOYSA-N 1 0 369.421 2.885 20 5 FFBDRO C[C@@H](C[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000459818742 515827990 /nfs/dbraw/zinc/82/79/90/515827990.db2.gz YNLACTPQWUMUCG-STQMWFEESA-N 1 0 365.430 2.831 20 5 FFBDRO COc1ccccc1[C@H]1[C@@H]([NH3+])CCCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000457367654 515830978 /nfs/dbraw/zinc/83/09/78/515830978.db2.gz XAHHJXYKXYPRBB-WMZOPIPTSA-N 1 0 355.394 2.908 20 5 FFBDRO CCc1ccc(C(=O)N[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000478457095 515830988 /nfs/dbraw/zinc/83/09/88/515830988.db2.gz IQWXTQIZCYNAHW-MSOLQXFVSA-N 1 0 353.422 2.985 20 5 FFBDRO C[NH+](C)CCc1ccc(CNC(=O)CCNc2ccccc2[N+](=O)[O-])cc1 ZINC000469491703 515839219 /nfs/dbraw/zinc/83/92/19/515839219.db2.gz JILCXCNFPUFFHZ-UHFFFAOYSA-N 1 0 370.453 2.817 20 5 FFBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+](CCOC)C1 ZINC000506353603 515858213 /nfs/dbraw/zinc/85/82/13/515858213.db2.gz FPFJLQXMOOYIDM-ZDUSSCGKSA-N 1 0 367.471 2.547 20 5 FFBDRO COc1cc(C[NH2+]C[C@@](C)(O)C(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000494667026 515916977 /nfs/dbraw/zinc/91/69/77/515916977.db2.gz RRZFVHMDRAICEI-MRXNPFEDSA-N 1 0 362.373 2.744 20 5 FFBDRO COc1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000511559768 515944860 /nfs/dbraw/zinc/94/48/60/515944860.db2.gz JIHIJVASVUCJIZ-INIZCTEOSA-N 1 0 355.394 2.608 20 5 FFBDRO Cc1c(CNC(=O)NCC[N@@H+]2CCc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000478755209 515952434 /nfs/dbraw/zinc/95/24/34/515952434.db2.gz MEFALDGNNFERMF-UHFFFAOYSA-N 1 0 368.437 2.761 20 5 FFBDRO C[NH+](C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])[nH]1)c1cccc(C(F)(F)F)c1 ZINC000469764496 515955473 /nfs/dbraw/zinc/95/54/73/515955473.db2.gz PQFORHZGJCJRGG-ZDUSSCGKSA-N 1 0 370.331 2.974 20 5 FFBDRO C[N@@H+]1CCC[C@H]1CNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000501080024 515970029 /nfs/dbraw/zinc/97/00/29/515970029.db2.gz BPFWFSSPSJYFCE-NSHDSACASA-N 1 0 357.208 2.573 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2CCc3ccccc32)cc1[N+](=O)[O-] ZINC000474357561 516008277 /nfs/dbraw/zinc/00/82/77/516008277.db2.gz QFLPFPKUBBEGBV-MRXNPFEDSA-N 1 0 356.378 2.924 20 5 FFBDRO COc1cccc([C@H](CNC(=O)c2cccc([N+](=O)[O-])c2OC)[NH+](C)C)c1 ZINC000474392009 516027353 /nfs/dbraw/zinc/02/73/53/516027353.db2.gz NBOJNVTXIOGIEF-KRWDZBQOSA-N 1 0 373.409 2.645 20 5 FFBDRO Cn1c(C(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000507106571 516091418 /nfs/dbraw/zinc/09/14/18/516091418.db2.gz WZZRYTQVBXJTKN-UHFFFAOYSA-N 1 0 370.453 2.714 20 5 FFBDRO CC(C)c1ccc(C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000470106795 516122075 /nfs/dbraw/zinc/12/20/75/516122075.db2.gz VYFDZSPCLWNXIX-HNNXBMFYSA-N 1 0 363.458 2.949 20 5 FFBDRO CCC[C@H]1CN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC[N@@H+]1CCOC ZINC000470137381 516137280 /nfs/dbraw/zinc/13/72/80/516137280.db2.gz JYVWUJFZWRGYPE-HNNXBMFYSA-N 1 0 368.409 2.699 20 5 FFBDRO COC(=O)CCn1nc(C)c(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)c1C ZINC000483633181 516152783 /nfs/dbraw/zinc/15/27/83/516152783.db2.gz FGEJKHVSOXXTFF-UHFFFAOYSA-N 1 0 360.414 2.569 20 5 FFBDRO CC[NH2+][C@H](C)CNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000479358492 516163112 /nfs/dbraw/zinc/16/31/12/516163112.db2.gz LDIHTHLJXXNIIW-CQSZACIVSA-N 1 0 356.426 2.935 20 5 FFBDRO CC(C)(C)[C@H]1C[C@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CS1 ZINC000488568134 516262508 /nfs/dbraw/zinc/26/25/08/516262508.db2.gz ARRKJVLKJPZELF-SWLSCSKDSA-N 1 0 372.512 2.878 20 5 FFBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000507618707 516264586 /nfs/dbraw/zinc/26/45/86/516264586.db2.gz SXERDXXWNYOCIL-WBVHZDCISA-N 1 0 369.421 2.925 20 5 FFBDRO CCCN(CC[NH+]1CCCC1)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000512474344 516290852 /nfs/dbraw/zinc/29/08/52/516290852.db2.gz JPRHMBAWWGCRTQ-UHFFFAOYSA-N 1 0 368.865 2.995 20 5 FFBDRO C[C@@H](NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000484135246 516302708 /nfs/dbraw/zinc/30/27/08/516302708.db2.gz QXUMMAZSEFIAAK-UZLBHIALSA-N 1 0 355.438 2.882 20 5 FFBDRO C[C@H](NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000484135244 516302774 /nfs/dbraw/zinc/30/27/74/516302774.db2.gz QXUMMAZSEFIAAK-OXJNMPFZSA-N 1 0 355.438 2.882 20 5 FFBDRO CC[C@H]1C[C@@H](C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)CCO1 ZINC000507808854 516304919 /nfs/dbraw/zinc/30/49/19/516304919.db2.gz WVOOXLZSGPRBEB-YJBOKZPZSA-N 1 0 361.442 2.558 20 5 FFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccccc1C[NH+]1CCC(O)CC1 ZINC000497594135 516327458 /nfs/dbraw/zinc/32/74/58/516327458.db2.gz QPMVKBNWMIGFRG-UHFFFAOYSA-N 1 0 370.409 2.507 20 5 FFBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C[C@H]1C ZINC000497603992 516327800 /nfs/dbraw/zinc/32/78/00/516327800.db2.gz JXXKKPXTMHERES-GHMZBOCLSA-N 1 0 357.357 2.751 20 5 FFBDRO C[NH+](C)CCN(Cc1ccccn1)c1ncnc2sc([N+](=O)[O-])cc21 ZINC000557644624 516355409 /nfs/dbraw/zinc/35/54/09/516355409.db2.gz SUFIZGJXBCRHQJ-UHFFFAOYSA-N 1 0 358.427 2.563 20 5 FFBDRO CN(c1ccccc1)c1ccc(C[NH2+]C[C@H](O)[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000522962502 516361685 /nfs/dbraw/zinc/36/16/85/516361685.db2.gz HIEZYVBSAVADLM-JXFKEZNVSA-N 1 0 371.437 2.850 20 5 FFBDRO C[C@H]([NH2+][C@H]1CCN(C)[C@H]1c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000550678860 516380377 /nfs/dbraw/zinc/38/03/77/516380377.db2.gz WPNORCQKDHCOHC-JVPBZIDWSA-N 1 0 368.437 2.957 20 5 FFBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H](C)CC[NH+](C)C ZINC000550682801 516382312 /nfs/dbraw/zinc/38/23/12/516382312.db2.gz JUVTXSWKURAYTC-VIFPVBQESA-N 1 0 358.236 2.736 20 5 FFBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000557733308 516410125 /nfs/dbraw/zinc/41/01/25/516410125.db2.gz IKTWCCXERRGLKY-ZDUSSCGKSA-N 1 0 370.247 2.962 20 5 FFBDRO CCC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1C[C@H](OCC)C1(C)C ZINC000535583771 516411438 /nfs/dbraw/zinc/41/14/38/516411438.db2.gz WEBKUOHWMGCBRD-HOTGVXAUSA-N 1 0 351.447 2.672 20 5 FFBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2cccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000561153615 516412398 /nfs/dbraw/zinc/41/23/98/516412398.db2.gz FPRUCWBJWZQGDK-HIFRSBDPSA-N 1 0 354.410 2.941 20 5 FFBDRO CC[C@H]1CN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)C[C@H](C)S1(=O)=O ZINC000557751242 516419695 /nfs/dbraw/zinc/41/96/95/516419695.db2.gz QURJNVNDZGXWRU-JSGCOSHPSA-N 1 0 363.439 2.853 20 5 FFBDRO C[N@H+](CCN1CCN(c2ccccc2)CC1)Cc1cccc([N+](=O)[O-])c1 ZINC000523445280 516473782 /nfs/dbraw/zinc/47/37/82/516473782.db2.gz CGFFXLPNJBJNIJ-UHFFFAOYSA-N 1 0 354.454 2.849 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)c1ccc2n[nH]cc2c1 ZINC000513202154 516518126 /nfs/dbraw/zinc/51/81/26/516518126.db2.gz SVBDWRCKUHGRPC-NSHDSACASA-N 1 0 369.381 2.769 20 5 FFBDRO Cc1nc(CC[N@H+](C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)no1 ZINC000513216211 516528287 /nfs/dbraw/zinc/52/82/87/516528287.db2.gz YNYAGGZCSCRTAD-UHFFFAOYSA-N 1 0 357.370 2.658 20 5 FFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000558024817 516555682 /nfs/dbraw/zinc/55/56/82/516555682.db2.gz HGBIIFBWBIBQFB-OFQRWUPVSA-N 1 0 361.442 2.796 20 5 FFBDRO CCc1nncn1CC[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000547789710 516565669 /nfs/dbraw/zinc/56/56/69/516565669.db2.gz XRFHPZUXLGYQST-UHFFFAOYSA-N 1 0 371.397 2.807 20 5 FFBDRO CCC[C@H]([NH2+]CCCN(C)S(=O)(=O)CC)c1cccc([N+](=O)[O-])c1 ZINC000531681733 516594157 /nfs/dbraw/zinc/59/41/57/516594157.db2.gz GDAKYVYGYFGTIZ-INIZCTEOSA-N 1 0 357.476 2.697 20 5 FFBDRO Cc1ncc2c(n1)CC[C@H]([NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)C2 ZINC000531691217 516598831 /nfs/dbraw/zinc/59/88/31/516598831.db2.gz MNXWDGGCJFBVPM-LRDDRELGSA-N 1 0 369.425 2.557 20 5 FFBDRO C[C@@H](C(=O)NCc1ccccc1F)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000554843848 516660859 /nfs/dbraw/zinc/66/08/59/516660859.db2.gz OLXKJJQDPCFOPB-AWEZNQCLSA-N 1 0 359.401 2.913 20 5 FFBDRO CN(C(=O)c1ccc([N+](=O)[O-])cc1Br)[C@H]1C[NH+]2CCC1CC2 ZINC000524254039 516679845 /nfs/dbraw/zinc/67/98/45/516679845.db2.gz JFXRHISRUGZAFU-AWEZNQCLSA-N 1 0 368.231 2.524 20 5 FFBDRO COc1ccc(-c2ccc(C[NH2+]CC3(C(N)=O)CCCC3)o2)c([N+](=O)[O-])c1 ZINC000540808747 516720973 /nfs/dbraw/zinc/72/09/73/516720973.db2.gz FHWPLBRDVOMQCK-UHFFFAOYSA-N 1 0 373.409 2.999 20 5 FFBDRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)c2ccc([N+](=O)[O-])cn2)c1 ZINC000561719847 516731040 /nfs/dbraw/zinc/73/10/40/516731040.db2.gz HQVBTVWGHULCGM-UHFFFAOYSA-N 1 0 371.397 2.522 20 5 FFBDRO Cc1c(Br)c(N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)ncc1[N+](=O)[O-] ZINC000544395003 516740033 /nfs/dbraw/zinc/74/00/33/516740033.db2.gz SXENLPYTDSYSAG-VXGBXAGGSA-N 1 0 369.263 2.981 20 5 FFBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C[C@@H](C)C1 ZINC000561749739 516748207 /nfs/dbraw/zinc/74/82/07/516748207.db2.gz ZARHAHARDYIDOX-PMUMKWKESA-N 1 0 368.437 2.945 20 5 FFBDRO CC[C@H](COC)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000558485770 516772909 /nfs/dbraw/zinc/77/29/09/516772909.db2.gz KBKWKSSFEWCCND-LLVKDONJSA-N 1 0 364.183 2.714 20 5 FFBDRO CCCc1n[nH]c(C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000518865523 516800703 /nfs/dbraw/zinc/80/07/03/516800703.db2.gz LLCQIKFWIQYTEA-ZDUSSCGKSA-N 1 0 351.451 2.512 20 5 FFBDRO O=C(CC[NH2+]C[C@H](c1ccco1)N1CCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000558573333 516815630 /nfs/dbraw/zinc/81/56/30/516815630.db2.gz ATOOMCRKYMYADO-QGZVFWFLSA-N 1 0 372.425 2.943 20 5 FFBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000541013664 516829070 /nfs/dbraw/zinc/82/90/70/516829070.db2.gz DZBHRRHHJJXCTH-LLVKDONJSA-N 1 0 357.357 2.656 20 5 FFBDRO Cc1cc(N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)c(F)cc1[N+](=O)[O-] ZINC000555222033 516837648 /nfs/dbraw/zinc/83/76/48/516837648.db2.gz KBSAYOWNKQAKKH-HNNXBMFYSA-N 1 0 350.438 2.647 20 5 FFBDRO Cn1c(C(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000555229539 516841288 /nfs/dbraw/zinc/84/12/88/516841288.db2.gz LIPILJPMLLHNSJ-ZDUSSCGKSA-N 1 0 350.806 2.619 20 5 FFBDRO CC(C)C[C@H](Nc1ccc2ncccc2c1[N+](=O)[O-])C(=O)NCC[NH+](C)C ZINC000551732380 516846585 /nfs/dbraw/zinc/84/65/85/516846585.db2.gz IDYIROFLCKJIOK-KRWDZBQOSA-N 1 0 373.457 2.647 20 5 FFBDRO NC(=O)[C@H]1CCC[N@H+](CCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000514191136 516895963 /nfs/dbraw/zinc/89/59/63/516895963.db2.gz VYWOXDPGHRGYMY-NSHDSACASA-N 1 0 374.363 2.613 20 5 FFBDRO CCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)CC1 ZINC000519182006 516915091 /nfs/dbraw/zinc/91/50/91/516915091.db2.gz YUZRJNXFQKXEMC-UHFFFAOYSA-N 1 0 366.437 2.857 20 5 FFBDRO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccc([N+](=O)[O-])cn1 ZINC000532397739 516952559 /nfs/dbraw/zinc/95/25/59/516952559.db2.gz IHRBPADWMBCGIU-UHFFFAOYSA-N 1 0 354.410 2.906 20 5 FFBDRO CC(C)[C@H]1CCCC[C@@H]1[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000536858060 516956899 /nfs/dbraw/zinc/95/68/99/516956899.db2.gz OHQFBAURSZPADK-CABCVRRESA-N 1 0 369.487 2.678 20 5 FFBDRO O=[N+]([O-])c1ccc2nc(N[C@H]3CCCC[C@@H]3[NH+]3CCOCC3)ccc2c1 ZINC000532421271 516968964 /nfs/dbraw/zinc/96/89/64/516968964.db2.gz XULYAAFTDLWBRV-ROUUACIJSA-N 1 0 356.426 2.620 20 5 FFBDRO CC[N@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@H]1CCOC(C)(C)C1 ZINC000514635237 516972976 /nfs/dbraw/zinc/97/29/76/516972976.db2.gz NICQECAXWYXYAV-ZDUSSCGKSA-N 1 0 365.430 2.821 20 5 FFBDRO COc1ccc(OCC[N@@H+](Cc2ccccc2)C[C@H](C)O)c([N+](=O)[O-])c1 ZINC000525274435 516989470 /nfs/dbraw/zinc/98/94/70/516989470.db2.gz KBORMWSIPOZHLJ-HNNXBMFYSA-N 1 0 360.410 2.865 20 5 FFBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000525385639 517025014 /nfs/dbraw/zinc/02/50/14/517025014.db2.gz FCQCQYPGIBKAQG-ZFWWWQNUSA-N 1 0 369.487 2.651 20 5 FFBDRO O=[N+]([O-])c1cc2ccccc2nc1N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000514738514 517032493 /nfs/dbraw/zinc/03/24/93/517032493.db2.gz HAAZQLMOZNKFDL-INIZCTEOSA-N 1 0 356.426 2.834 20 5 FFBDRO Cn1ccnc1[C@H](NCC1CC[NH+](C2CC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000552054685 517053294 /nfs/dbraw/zinc/05/32/94/517053294.db2.gz JMFMMASKKLXOSJ-LJQANCHMSA-N 1 0 369.469 2.882 20 5 FFBDRO COc1cc(C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)cc([N+](=O)[O-])c1OC ZINC000525560307 517075590 /nfs/dbraw/zinc/07/55/90/517075590.db2.gz NVINIKZMKHEPLM-QWHCGFSZSA-N 1 0 365.430 2.605 20 5 FFBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000545156864 517076153 /nfs/dbraw/zinc/07/61/53/517076153.db2.gz LANQZUMKDBRZQI-ZDUSSCGKSA-N 1 0 351.422 2.858 20 5 FFBDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000562399490 517081105 /nfs/dbraw/zinc/08/11/05/517081105.db2.gz VNOGPJVLRHMQFD-ZIAGYGMSSA-N 1 0 371.441 2.726 20 5 FFBDRO O=[N+]([O-])c1cccc2ncnc(N3CC[C@H](OCC[NH+]4CCCCC4)C3)c21 ZINC000541575774 517119770 /nfs/dbraw/zinc/11/97/70/517119770.db2.gz APLHYHLIMZXMRX-HNNXBMFYSA-N 1 0 371.441 2.619 20 5 FFBDRO CC[C@@H](CNc1ncc([N+](=O)[O-])c(C)c1Br)[NH+]1CCCC1 ZINC000541590894 517128043 /nfs/dbraw/zinc/12/80/43/517128043.db2.gz SINKBBLISKNCLO-NSHDSACASA-N 1 0 357.252 2.769 20 5 FFBDRO O=C1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CN1[C@@H]1C[C@@H]1c1ccccc1 ZINC000537313844 517139755 /nfs/dbraw/zinc/13/97/55/517139755.db2.gz GDLBLJSUVNKIRR-QXAKKESOSA-N 1 0 351.406 2.841 20 5 FFBDRO Cc1cc(NC[C@@H]2CC[N@@H+](C(C)C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000548764971 517199277 /nfs/dbraw/zinc/19/92/77/517199277.db2.gz LRYIDFRUHPKQKN-HNNXBMFYSA-N 1 0 355.442 2.924 20 5 FFBDRO C[C@H](NC(=O)c1cc([N+](=O)[O-])cn1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000537613113 517257050 /nfs/dbraw/zinc/25/70/50/517257050.db2.gz CKSUWZGMGVUAPM-GOEBONIOSA-N 1 0 356.426 2.574 20 5 FFBDRO C[C@@H](C(=O)NC(=O)Nc1ccccc1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000520257958 517320683 /nfs/dbraw/zinc/32/06/83/517320683.db2.gz SHRCCCJAFDNZLI-AWEZNQCLSA-N 1 0 370.409 2.806 20 5 FFBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000559572293 517321015 /nfs/dbraw/zinc/32/10/15/517321015.db2.gz ATYGEDVOLPMKLK-JTQLQIEISA-N 1 0 370.247 2.880 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@H]3CCc4ccccc4C3)CC2)cn1 ZINC000541985657 517324686 /nfs/dbraw/zinc/32/46/86/517324686.db2.gz GXUKGFDUBQWLDG-INIZCTEOSA-N 1 0 352.438 2.917 20 5 FFBDRO COc1ccc2c(c1)C[C@H](C)[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]2C ZINC000541988928 517325163 /nfs/dbraw/zinc/32/51/63/517325163.db2.gz CSZAUZCPFQDNST-UONOGXRCSA-N 1 0 357.410 2.773 20 5 FFBDRO Cc1cc(N2CC[NH+](CC(C)(C)O)CC2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000562756154 517372016 /nfs/dbraw/zinc/37/20/16/517372016.db2.gz LUNMOZKSZVBJTJ-UHFFFAOYSA-N 1 0 361.364 2.815 20 5 FFBDRO CCOc1cccc(N2CC[C@@H](OCC[NH+](CC)CC)C2)c1[N+](=O)[O-] ZINC000545871517 517405807 /nfs/dbraw/zinc/40/58/07/517405807.db2.gz CVBALUPMONYVQV-OAHLLOKOSA-N 1 0 351.447 2.931 20 5 FFBDRO CCC[C@H]1CN(c2cccc(OCC)c2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000545872689 517408574 /nfs/dbraw/zinc/40/85/74/517408574.db2.gz OWOSVVCHFWEUHG-HNNXBMFYSA-N 1 0 351.447 2.931 20 5 FFBDRO COc1ccc(COC[C@H](O)C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000538279067 517538685 /nfs/dbraw/zinc/53/86/85/517538685.db2.gz ITTKLLJXGVNKKD-GOEBONIOSA-N 1 0 360.410 2.832 20 5 FFBDRO CN(c1cccc(C(N)=O)c1[N+](=O)[O-])[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000553155109 517548335 /nfs/dbraw/zinc/54/83/35/517548335.db2.gz YGJGBOQPTQKWQA-INIZCTEOSA-N 1 0 368.437 2.795 20 5 FFBDRO COCCO[C@@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000549411215 517551072 /nfs/dbraw/zinc/55/10/72/517551072.db2.gz ZJGZMEILGREZDS-GOSISDBHSA-N 1 0 374.441 2.623 20 5 FFBDRO COc1ccc([C@H](C[NH+](C)C)NC(=O)c2cc(F)cc([N+](=O)[O-])c2)cc1 ZINC000560249319 517656954 /nfs/dbraw/zinc/65/69/54/517656954.db2.gz KUYNNABZTDAIBZ-KRWDZBQOSA-N 1 0 361.373 2.775 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NCC[C@H](C)[NH+]2CCCCC2)c1 ZINC000542756885 517719428 /nfs/dbraw/zinc/71/94/28/517719428.db2.gz IIRIPRVWTMXRIJ-AWEZNQCLSA-N 1 0 369.487 2.754 20 5 FFBDRO COc1ccc(OCC[NH+]2CCC(Nc3ccccn3)CC2)c([N+](=O)[O-])c1 ZINC000534129638 517754272 /nfs/dbraw/zinc/75/42/72/517754272.db2.gz YBNWKTBSCKLMIT-UHFFFAOYSA-N 1 0 372.425 2.954 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000553509895 517754625 /nfs/dbraw/zinc/75/46/25/517754625.db2.gz KQXXNGGCCAJGHO-OAHLLOKOSA-N 1 0 361.442 2.858 20 5 FFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCN1CCO[C@@H](C)C1 ZINC000534331533 517853802 /nfs/dbraw/zinc/85/38/02/517853802.db2.gz MFEODIOUCLFWLB-GJZGRUSLSA-N 1 0 353.488 2.776 20 5 FFBDRO C[N@H+](CCCCNC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)C1CC1 ZINC000516850720 517869051 /nfs/dbraw/zinc/86/90/51/517869051.db2.gz ZVKJOYKWBXYKRZ-UHFFFAOYSA-N 1 0 373.457 2.792 20 5 FFBDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C1 ZINC000521860102 517876659 /nfs/dbraw/zinc/87/66/59/517876659.db2.gz UCRLKADZJXYCBY-MFKMUULPSA-N 1 0 371.387 2.817 20 5 FFBDRO CCc1cnccc1[C@H](C)[NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000543050951 517882955 /nfs/dbraw/zinc/88/29/55/517882955.db2.gz OMZWEMCYIJCDTC-NSHDSACASA-N 1 0 372.381 2.570 20 5 FFBDRO CC[C@H]([NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H](O)C(F)(F)F ZINC000539045565 517895664 /nfs/dbraw/zinc/89/56/64/517895664.db2.gz BDLWUDIWHXTGTA-LQJRIPTKSA-N 1 0 363.336 2.603 20 5 FFBDRO COc1cc(-c2noc(-c3cc([N+](=O)[O-])c[nH]3)n2)ccc1OCC[NH+](C)C ZINC000546983276 517946096 /nfs/dbraw/zinc/94/60/96/517946096.db2.gz PGRYYGNLHUENCM-UHFFFAOYSA-N 1 0 373.369 2.589 20 5 FFBDRO CCOc1cc(C(=O)N2[C@H](C)C[NH+](CC)C[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000516994183 517964830 /nfs/dbraw/zinc/96/48/30/517964830.db2.gz NNJWTYFMXVBIAA-CHWSQXEVSA-N 1 0 365.430 2.557 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000557346028 517969376 /nfs/dbraw/zinc/96/93/76/517969376.db2.gz DQVLGKMOSOCMFY-CABCVRRESA-N 1 0 367.471 2.507 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000557346037 517970256 /nfs/dbraw/zinc/97/02/56/517970256.db2.gz DQVLGKMOSOCMFY-LSDHHAIUSA-N 1 0 367.471 2.507 20 5 FFBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000534643361 517979019 /nfs/dbraw/zinc/97/90/19/517979019.db2.gz SQGPAHNXQQTFEQ-OWCLPIDISA-N 1 0 362.474 2.803 20 5 FFBDRO CC(=O)NCC[C@H]1CCC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000553958771 517993313 /nfs/dbraw/zinc/99/33/13/517993313.db2.gz QOXSOWPCVCZVBI-OAHLLOKOSA-N 1 0 372.425 2.988 20 5 FFBDRO CC[NH+](CC)CCO[C@@H]1CCN(Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000530866810 518020794 /nfs/dbraw/zinc/02/07/94/518020794.db2.gz HCPUMRQSPPDSBY-MRXNPFEDSA-N 1 0 351.447 2.536 20 5 FFBDRO CC[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C1CCOCC1 ZINC000539426356 518042481 /nfs/dbraw/zinc/04/24/81/518042481.db2.gz WSBCSNWWXOUBRL-HNNXBMFYSA-N 1 0 365.430 2.727 20 5 FFBDRO CC1=CC[N@H+](CCNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000547281893 518056373 /nfs/dbraw/zinc/05/63/73/518056373.db2.gz GEMLZXJCGAZRIZ-UHFFFAOYSA-N 1 0 372.469 2.579 20 5 FFBDRO COc1ccc(C[NH2+][C@@H]2CC(=O)N(Cc3ccccc3)[C@H]2C)cc1[N+](=O)[O-] ZINC000547372371 518109992 /nfs/dbraw/zinc/10/99/92/518109992.db2.gz CZLSJSRJLMUMTC-WMLDXEAASA-N 1 0 369.421 2.883 20 5 FFBDRO CC(C)c1csc(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])n1 ZINC000517359684 518127653 /nfs/dbraw/zinc/12/76/53/518127653.db2.gz LSTAYQNAKLOCAV-LBPRGKRZSA-N 1 0 351.428 2.704 20 5 FFBDRO C[C@@H]1C[C@@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])c2ccccc2O1 ZINC000563805358 518132594 /nfs/dbraw/zinc/13/25/94/518132594.db2.gz FEJXJRORJIIJCJ-IJEWVQPXSA-N 1 0 358.394 2.836 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CC[C@@H](c3cccc(Cl)c3)C2)c1 ZINC000563952751 518244436 /nfs/dbraw/zinc/24/44/36/518244436.db2.gz RZVLLMYAXSQCIX-FRFSOERESA-N 1 0 364.833 2.732 20 5 FFBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000584372298 518305894 /nfs/dbraw/zinc/30/58/94/518305894.db2.gz QZGWEPVEOHDPJZ-KRWDZBQOSA-N 1 0 361.442 2.879 20 5 FFBDRO COc1ccc(Cc2nc(-c3ccn4c[nH+]cc4c3)no2)cc1[N+](=O)[O-] ZINC000572690119 518312001 /nfs/dbraw/zinc/31/20/01/518312001.db2.gz LWEKNTVXELZPFN-UHFFFAOYSA-N 1 0 351.322 2.892 20 5 FFBDRO Cc1csc(Sc2ccc(C(=O)N[C@@H](C)[C@@H](C)[NH3+])cc2[N+](=O)[O-])n1 ZINC000584409475 518328985 /nfs/dbraw/zinc/32/89/85/518328985.db2.gz CXTWDGBEFZHFJP-ZJUUUORDSA-N 1 0 366.468 2.976 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCc2ccc(O)cc2C1 ZINC000569889728 518341294 /nfs/dbraw/zinc/34/12/94/518341294.db2.gz XVYFMYOYQCQRIF-UHFFFAOYSA-N 1 0 355.394 2.996 20 5 FFBDRO CC1CC[NH+](C[C@H]2CCCN(c3cccc(C(N)=O)c3[N+](=O)[O-])C2)CC1 ZINC000581565480 518348945 /nfs/dbraw/zinc/34/89/45/518348945.db2.gz QUPFKENFWDONAJ-OAHLLOKOSA-N 1 0 360.458 2.642 20 5 FFBDRO CC(C)(C)[C@@H]1C[C@@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000572870681 518399807 /nfs/dbraw/zinc/39/98/07/518399807.db2.gz YPRKOQDLIRJWQM-VBQJREDUSA-N 1 0 352.431 2.518 20 5 FFBDRO [NH3+]CCN(Cc1cc(Cl)c2c(c1)OCCO2)c1ccccc1[N+](=O)[O-] ZINC000578940105 518444274 /nfs/dbraw/zinc/44/42/74/518444274.db2.gz ZPCUXDJWXJVIBK-UHFFFAOYSA-N 1 0 363.801 2.985 20 5 FFBDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)c1cc(F)cc2c1[nH]c1ccc(F)cc1c2=O ZINC000572999698 518458752 /nfs/dbraw/zinc/45/87/52/518458752.db2.gz SPOLEDZXGWJBHH-QWRGUYRKSA-N 1 0 371.387 2.769 20 5 FFBDRO O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@H]1CCCc2nc[nH]c21 ZINC000570144398 518460860 /nfs/dbraw/zinc/46/08/60/518460860.db2.gz CDHUGONXTGWDQT-ZDUSSCGKSA-N 1 0 353.382 2.578 20 5 FFBDRO COc1cc(CN2CC3CCC2(C[NH3+])CC3)c([N+](=O)[O-])cc1OC(F)F ZINC000576172481 518464088 /nfs/dbraw/zinc/46/40/88/518464088.db2.gz NNWTZVMKVQNTCZ-UHFFFAOYSA-N 1 0 371.384 2.908 20 5 FFBDRO Cc1ccc(C[C@@H](C)[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])s1 ZINC000584775331 518471261 /nfs/dbraw/zinc/47/12/61/518471261.db2.gz HTTMHUDZFBSRTM-OCCSQVGLSA-N 1 0 350.440 2.925 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CCc2c[nH]c3cc(F)ccc23)c1 ZINC000581879387 518483967 /nfs/dbraw/zinc/48/39/67/518483967.db2.gz HMOJHJJZQRDFDJ-INIZCTEOSA-N 1 0 373.384 2.787 20 5 FFBDRO NC(=O)[C@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccc(F)cc1 ZINC000570198175 518489884 /nfs/dbraw/zinc/48/98/84/518489884.db2.gz CKVNGKWSDJHVBQ-QGZVFWFLSA-N 1 0 356.357 2.574 20 5 FFBDRO CC1(C)CC[N@H+](CC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000570292217 518536100 /nfs/dbraw/zinc/53/61/00/518536100.db2.gz HKYZGTFZUOIMMX-UHFFFAOYSA-N 1 0 361.442 2.697 20 5 FFBDRO COc1ccc(-c2ccc(CN3CC[C@@H]4C[NH2+]C[C@H]4C3)o2)c([N+](=O)[O-])c1 ZINC000582002897 518541829 /nfs/dbraw/zinc/54/18/29/518541829.db2.gz KPNDBACQNHVPJB-KGLIPLIRSA-N 1 0 357.410 2.905 20 5 FFBDRO CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cccc3c2CC[NH2+]C3)cc1OC ZINC000576508553 518626317 /nfs/dbraw/zinc/62/63/17/518626317.db2.gz LJQNELGZRTZZLM-UHFFFAOYSA-N 1 0 371.393 2.900 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[N@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000579384500 518655252 /nfs/dbraw/zinc/65/52/52/518655252.db2.gz VPDQXTSKKQMMED-IBGZPJMESA-N 1 0 355.438 2.962 20 5 FFBDRO C[N@H+](CCCNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)Cc1ccccc1 ZINC000587029852 518675549 /nfs/dbraw/zinc/67/55/49/518675549.db2.gz UDLBKWUPEHIRDP-UHFFFAOYSA-N 1 0 367.409 2.600 20 5 FFBDRO C[C@H](NC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)C1CC[NH+](C)CC1 ZINC000588887047 518858510 /nfs/dbraw/zinc/85/85/10/518858510.db2.gz LCCZLWJHHGNQRT-ZDUSSCGKSA-N 1 0 373.457 2.648 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]Cc2cnn(CC(F)(F)F)c2)n1 ZINC000577051046 518891387 /nfs/dbraw/zinc/89/13/87/518891387.db2.gz GRMDYJCYDFBRGH-CHWSQXEVSA-N 1 0 372.351 2.824 20 5 FFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]Cc2cnn(CC(F)(F)F)c2)n1 ZINC000577051047 518891886 /nfs/dbraw/zinc/89/18/86/518891886.db2.gz GRMDYJCYDFBRGH-OLZOCXBDSA-N 1 0 372.351 2.824 20 5 FFBDRO CSC1(CNC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)CC[NH+](C)CC1 ZINC000582758590 518905373 /nfs/dbraw/zinc/90/53/73/518905373.db2.gz XYAZSRVZWOIUAB-CYBMUJFWSA-N 1 0 366.487 2.782 20 5 FFBDRO COc1cc2c(cc1C[NH+]1CCC(n3ccc([N+](=O)[O-])n3)CC1)O[C@H](C)C2 ZINC000579907957 518910694 /nfs/dbraw/zinc/91/06/94/518910694.db2.gz FNWQYONLIBITFY-CYBMUJFWSA-N 1 0 372.425 2.960 20 5 FFBDRO C[C@H](CN[C@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F)C[NH+]1CCOCC1 ZINC000565485682 518980392 /nfs/dbraw/zinc/98/03/92/518980392.db2.gz FPUTXEYTELGRNG-IUODEOHRSA-N 1 0 361.364 2.756 20 5 FFBDRO Cc1c(NC(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)cccc1[N+](=O)[O-] ZINC000582913914 518984309 /nfs/dbraw/zinc/98/43/09/518984309.db2.gz YJSIIQQEHPEORO-OAHLLOKOSA-N 1 0 362.430 2.622 20 5 FFBDRO CCCC[C@H](C)[C@@H](C)[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000565503667 518987709 /nfs/dbraw/zinc/98/77/09/518987709.db2.gz ZPWDTQIENKNBKC-UONOGXRCSA-N 1 0 357.476 2.678 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC[C@]1([NH+](C)C)CCSC1 ZINC000580176337 519044655 /nfs/dbraw/zinc/04/46/55/519044655.db2.gz PAMOZVAUXSKJBB-MRXNPFEDSA-N 1 0 353.444 2.539 20 5 FFBDRO CC(C)n1ncc2c1C[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])CC2 ZINC000580305443 519109601 /nfs/dbraw/zinc/10/96/01/519109601.db2.gz DBUZOPYVKJLSQT-HNNXBMFYSA-N 1 0 371.441 2.848 20 5 FFBDRO Cc1ccc(NC(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000577506219 519115352 /nfs/dbraw/zinc/11/53/52/519115352.db2.gz PKKGHCOWBPXZAS-MRXNPFEDSA-N 1 0 362.430 2.622 20 5 FFBDRO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000574367889 519119652 /nfs/dbraw/zinc/11/96/52/519119652.db2.gz WSQLEIACLJBLLS-KRWDZBQOSA-N 1 0 371.441 2.884 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(C[N@@H+]2CC[C@H](O)C2)c1 ZINC000589997202 519123902 /nfs/dbraw/zinc/12/39/02/519123902.db2.gz ZRPGRSVMHTVMLT-KRWDZBQOSA-N 1 0 355.394 2.722 20 5 FFBDRO COc1ccc(-c2ccc(CN3CC[NH2+]C[C@@H]3C(F)F)o2)c([N+](=O)[O-])c1 ZINC000583204409 519128555 /nfs/dbraw/zinc/12/85/55/519128555.db2.gz KIPCRQVORKNERH-OAHLLOKOSA-N 1 0 367.352 2.902 20 5 FFBDRO CC[C@H]1C[N@H+](C)CCN1C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000568683915 519161697 /nfs/dbraw/zinc/16/16/97/519161697.db2.gz SYTZBJRHSORTSC-ZDUSSCGKSA-N 1 0 355.822 2.570 20 5 FFBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000577636208 519181384 /nfs/dbraw/zinc/18/13/84/519181384.db2.gz MDBUTJBTVVFQIF-AJNGGQMLSA-N 1 0 362.474 2.933 20 5 FFBDRO O=C(CC[NH2+]CCc1ccc2c(c1)CCO2)Nc1ccccc1[N+](=O)[O-] ZINC000583317746 519185600 /nfs/dbraw/zinc/18/56/00/519185600.db2.gz WUSJDHLSRDCCSF-UHFFFAOYSA-N 1 0 355.394 2.691 20 5 FFBDRO Cc1ccccc1C1(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCCCC1 ZINC000574565607 519220217 /nfs/dbraw/zinc/22/02/17/519220217.db2.gz XMOCMVJDBRQOBN-SFHVURJKSA-N 1 0 372.469 2.952 20 5 FFBDRO Nc1ccc(NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)nc1[N+](=O)[O-] ZINC000590572733 519270330 /nfs/dbraw/zinc/27/03/30/519270330.db2.gz PAZKOTAJBLRZAZ-UHFFFAOYSA-N 1 0 361.833 2.724 20 5 FFBDRO COC(=O)c1c(Cl)c(N2CC[C@H]3CC[N@H+](C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000590582901 519275313 /nfs/dbraw/zinc/27/53/13/519275313.db2.gz WDWXPXBNLYVCQQ-ZWNOBZJWSA-N 1 0 353.806 2.565 20 5 FFBDRO COc1cccc2c1CC[C@@H]2[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000566115810 519311090 /nfs/dbraw/zinc/31/10/90/519311090.db2.gz SITWLDYSXKJYKD-CJNGLKHVSA-N 1 0 358.394 2.620 20 5 FFBDRO C[C@@H]1C[C@H](C)N(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C[C@H]1C[NH3+] ZINC000574758373 519317788 /nfs/dbraw/zinc/31/77/88/519317788.db2.gz XGNAANILUZFVPK-HLLBOEOZSA-N 1 0 374.485 2.643 20 5 FFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]Cc1ccc(N2CCOCC2)nc1 ZINC000583641110 519354967 /nfs/dbraw/zinc/35/49/67/519354967.db2.gz FBERBMKHBVIEIN-KRWDZBQOSA-N 1 0 354.410 2.604 20 5 FFBDRO O=[N+]([O-])c1ccc(OCC[NH2+]C[C@H](O)COc2ccc(Cl)cc2)cc1 ZINC000574869099 519375172 /nfs/dbraw/zinc/37/51/72/519375172.db2.gz NJOCLKVDNOGYJB-HNNXBMFYSA-N 1 0 366.801 2.657 20 5 FFBDRO O=C(CC[NH2+]Cc1ccnc(N2CCCC2)c1)Nc1ccccc1[N+](=O)[O-] ZINC000569095410 519375291 /nfs/dbraw/zinc/37/52/91/519375291.db2.gz RAHFZXJLUXRIIS-UHFFFAOYSA-N 1 0 369.425 2.708 20 5 FFBDRO COc1cc(CN(C)[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000566226388 519381081 /nfs/dbraw/zinc/38/10/81/519381081.db2.gz RKIBTINWCSOPQG-QGZVFWFLSA-N 1 0 371.437 2.976 20 5 FFBDRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000590806559 519381291 /nfs/dbraw/zinc/38/12/91/519381291.db2.gz RMMICKYRKJIOBK-MSOLQXFVSA-N 1 0 372.469 2.968 20 5 FFBDRO C[C@]1(CNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CCC[NH2+]C1 ZINC000569212972 519435470 /nfs/dbraw/zinc/43/54/70/519435470.db2.gz GMNOYPIINOUQFU-KRWDZBQOSA-N 1 0 360.439 2.838 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CC[C@H]2CCc3ccccc3N2)c1 ZINC000569214044 519437402 /nfs/dbraw/zinc/43/74/02/519437402.db2.gz LQBHCWABANCJJR-AEFFLSMTSA-N 1 0 371.437 2.741 20 5 FFBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000590926381 519437279 /nfs/dbraw/zinc/43/72/79/519437279.db2.gz OGIPBPXYRCMRHV-AEFFLSMTSA-N 1 0 360.458 2.968 20 5 FFBDRO C[C@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])C(=O)NCCc1ccccc1 ZINC000569239608 519450092 /nfs/dbraw/zinc/45/00/92/519450092.db2.gz WKRLLDHMNZJUCC-KBXCAEBGSA-N 1 0 353.422 2.919 20 5 FFBDRO COc1cc(C(=O)N2CC[N@H+](C)CC23CCCCC3)c([N+](=O)[O-])cc1F ZINC000590985328 519467755 /nfs/dbraw/zinc/46/77/55/519467755.db2.gz CICJILFDXNLUGR-UHFFFAOYSA-N 1 0 365.405 2.833 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C2CCc3ccccc3CC2)c1 ZINC000575053254 519475307 /nfs/dbraw/zinc/47/53/07/519475307.db2.gz DPDYGTPUEMDYOK-IBGZPJMESA-N 1 0 356.422 2.872 20 5 FFBDRO COC(=O)c1cc(C)nc(N(C)CC[N@H+](C)C2CCCCC2)c1[N+](=O)[O-] ZINC000575080589 519490606 /nfs/dbraw/zinc/49/06/06/519490606.db2.gz UQWFPWPUWNQIBX-UHFFFAOYSA-N 1 0 364.446 2.786 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCCOCC(F)(F)F)n1 ZINC000583911462 519494433 /nfs/dbraw/zinc/49/44/33/519494433.db2.gz HGRCRGUNIVWRFL-NWDGAFQWSA-N 1 0 350.341 2.834 20 5 FFBDRO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000569384565 519523904 /nfs/dbraw/zinc/52/39/04/519523904.db2.gz XGLRQNLRRNVIQB-ZDUSSCGKSA-N 1 0 367.396 2.892 20 5 FFBDRO O=C1[C@H](N2CC3(CCC3)[C@@H]2[C@H]2CCCO2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000572411957 519600297 /nfs/dbraw/zinc/60/02/97/519600297.db2.gz MLBCRDWZXNJEHT-KURKYZTESA-N 1 0 371.437 2.734 20 5 FFBDRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000591361037 519608537 /nfs/dbraw/zinc/60/85/37/519608537.db2.gz XYTCIYGBEYXANX-SFHVURJKSA-N 1 0 368.437 2.925 20 5 FFBDRO O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000591362344 519608618 /nfs/dbraw/zinc/60/86/18/519608618.db2.gz ALZLDEUARTUMBR-ZJPYXAASSA-N 1 0 372.469 2.872 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](c3cccnc3)C2)c1 ZINC000602855825 519930062 /nfs/dbraw/zinc/93/00/62/519930062.db2.gz PQYMUTUFHUMHHG-WMZOPIPTSA-N 1 0 357.410 2.609 20 5 FFBDRO CCC(C)(C)[NH+]1CCN(C(=O)c2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC000594389799 519935363 /nfs/dbraw/zinc/93/53/63/519935363.db2.gz NPHCVPUNUXJSCG-UHFFFAOYSA-N 1 0 353.394 2.689 20 5 FFBDRO C[NH+](C)C[C@@]1(O)CCCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000602877441 519943948 /nfs/dbraw/zinc/94/39/48/519943948.db2.gz NOPSGOQEEFDKRF-HNNXBMFYSA-N 1 0 361.364 2.502 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C1CC1)C1CC[NH2+]CC1 ZINC000591680733 519997177 /nfs/dbraw/zinc/99/71/77/519997177.db2.gz CSHYWMOQYKTNAC-NSHDSACASA-N 1 0 367.833 2.759 20 5 FFBDRO COc1ccccc1C(C)(C)C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000591728178 520013862 /nfs/dbraw/zinc/01/38/62/520013862.db2.gz PISNDDGSJWVCRT-MRXNPFEDSA-N 1 0 374.437 2.911 20 5 FFBDRO Cn1nnc2c1CC[C@H]([NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])C2 ZINC000594523555 520014368 /nfs/dbraw/zinc/01/43/68/520014368.db2.gz YVAQTWMGWVMHEU-VNQPRFMTSA-N 1 0 355.442 2.582 20 5 FFBDRO Cc1ncn(CCCCc2noc(-c3c([N+](=O)[O-])c(C)nn3C)n2)c1C ZINC000594534027 520016136 /nfs/dbraw/zinc/01/61/36/520016136.db2.gz FVWIPQGEZLZNGB-UHFFFAOYSA-N 1 0 359.390 2.523 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@@H]2CCc3ccccc3C2)cc1 ZINC000591741809 520019199 /nfs/dbraw/zinc/01/91/99/520019199.db2.gz SDUORTTZIVKTQN-OAHLLOKOSA-N 1 0 374.462 2.763 20 5 FFBDRO CC(C)[C@@H](C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccnn1C ZINC000591763465 520028279 /nfs/dbraw/zinc/02/82/79/520028279.db2.gz ICSYNMBYZRXZCO-CQSZACIVSA-N 1 0 359.430 2.686 20 5 FFBDRO CC(C)n1ncc2c1C[C@@H]([NH2+]Cc1cc3c(cc1[N+](=O)[O-])OCCO3)CC2 ZINC000616484880 520036233 /nfs/dbraw/zinc/03/62/33/520036233.db2.gz WSNNQLRXUYMDOW-HNNXBMFYSA-N 1 0 372.425 2.791 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000600087953 520039880 /nfs/dbraw/zinc/03/98/80/520039880.db2.gz PEWMARWZNDQMRQ-SNVBAGLBSA-N 1 0 370.247 2.960 20 5 FFBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N1CCCN(c2cc[nH+]cc2)CC1 ZINC000603083956 520070233 /nfs/dbraw/zinc/07/02/33/520070233.db2.gz QEFJEIMCMUVNSN-UHFFFAOYSA-N 1 0 354.410 2.661 20 5 FFBDRO Cc1ccc(CC2C[NH+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000594732007 520122005 /nfs/dbraw/zinc/12/20/05/520122005.db2.gz JDZWVSUNWNKOBR-LJQANCHMSA-N 1 0 356.422 2.817 20 5 FFBDRO O=C(NC[C@@H]1CC[N@@H+]1C1CCCCC1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000600230074 520140106 /nfs/dbraw/zinc/14/01/06/520140106.db2.gz ZBWYDDPDQLPYNF-AWEZNQCLSA-N 1 0 357.414 2.608 20 5 FFBDRO CN1C[C@H]([NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC1=O ZINC000608861030 520147948 /nfs/dbraw/zinc/14/79/48/520147948.db2.gz KNYALDOTPIRRIA-CQSZACIVSA-N 1 0 359.357 2.847 20 5 FFBDRO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@H+](CCC[C@@H]4CCOC4)CC3)nc2c1 ZINC000592101655 520185276 /nfs/dbraw/zinc/18/52/76/520185276.db2.gz CUTFUNWOCRAQGI-OAHLLOKOSA-N 1 0 373.457 2.800 20 5 FFBDRO C[N@@H+]1CCCC[C@@H](CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000600312375 520198480 /nfs/dbraw/zinc/19/84/80/520198480.db2.gz FXPQLCMTSOWNKD-NSHDSACASA-N 1 0 370.247 2.819 20 5 FFBDRO C[N@@H+]1CCCC[C@@H](CNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000600316263 520200317 /nfs/dbraw/zinc/20/03/17/520200317.db2.gz YPWGZRZLSYUUON-ZDUSSCGKSA-N 1 0 369.849 2.865 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000600314171 520201515 /nfs/dbraw/zinc/20/15/15/520201515.db2.gz MFOBVCBHZZHDFA-CHWSQXEVSA-N 1 0 369.849 2.864 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H](n2ccnc2)C1 ZINC000609157510 520214228 /nfs/dbraw/zinc/21/42/28/520214228.db2.gz ZZEHTUJUMJMONH-INIZCTEOSA-N 1 0 357.414 2.765 20 5 FFBDRO CO[C@@H](C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CCOC1 ZINC000594948855 520224831 /nfs/dbraw/zinc/22/48/31/520224831.db2.gz AVBKHQYMYAZTDH-BBRMVZONSA-N 1 0 363.439 2.859 20 5 FFBDRO O=C(NCc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000592154816 520232412 /nfs/dbraw/zinc/23/24/12/520232412.db2.gz KCAQAYMZGBWOGM-MRXNPFEDSA-N 1 0 357.385 2.872 20 5 FFBDRO COc1cc(C[NH2+][C@@H]2C[C@H](O)C23CCC3)c([N+](=O)[O-])cc1OC(F)F ZINC000594986880 520243580 /nfs/dbraw/zinc/24/35/80/520243580.db2.gz IRDVLHBOUMMFQE-KGLIPLIRSA-N 1 0 358.341 2.598 20 5 FFBDRO CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000592183115 520249290 /nfs/dbraw/zinc/24/92/90/520249290.db2.gz CYFWGPRXDQOUMT-ABAIWWIYSA-N 1 0 359.348 2.965 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000595007804 520254594 /nfs/dbraw/zinc/25/45/94/520254594.db2.gz KVZIWTZFRXWODD-GJZGRUSLSA-N 1 0 363.458 2.755 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H]1CCC2(CCOCC2)[C@@H]1O ZINC000595038296 520265628 /nfs/dbraw/zinc/26/56/28/520265628.db2.gz IUQMBTNGEUWONI-SUNYJGFJSA-N 1 0 364.442 2.822 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](CO)[C@@H]1CCC[C@@H](OC)C1 ZINC000595061410 520274155 /nfs/dbraw/zinc/27/41/55/520274155.db2.gz KTWDIADVLYUMQW-TZDHZFECSA-N 1 0 352.431 2.820 20 5 FFBDRO O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000600472722 520279542 /nfs/dbraw/zinc/27/95/42/520279542.db2.gz OWTCZYKQBKZPCM-KRWDZBQOSA-N 1 0 369.425 2.527 20 5 FFBDRO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000609348058 520289773 /nfs/dbraw/zinc/28/97/73/520289773.db2.gz KWPNXVSOTWPDJH-KRWDZBQOSA-N 1 0 372.469 2.895 20 5 FFBDRO CCCN(C(=O)Nc1cc([N+](=O)[O-])ccc1OCC)[C@@H]1CC[N@H+](C)C1 ZINC000592258742 520295096 /nfs/dbraw/zinc/29/50/96/520295096.db2.gz UHHTWOIJFGNXAP-CQSZACIVSA-N 1 0 350.419 2.942 20 5 FFBDRO CCc1cc(N[C@@H]2CC[N@H+](CC3CC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000609384288 520299718 /nfs/dbraw/zinc/29/97/18/520299718.db2.gz FACDWBIEFFUHTI-QGZVFWFLSA-N 1 0 367.453 2.932 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@H](C)[C@H]2CCC[NH3+])c1C ZINC000595117955 520303395 /nfs/dbraw/zinc/30/33/95/520303395.db2.gz IJIGACWRVPJHGX-UKRRQHHQSA-N 1 0 369.487 2.740 20 5 FFBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)cc1OC ZINC000597922530 520324421 /nfs/dbraw/zinc/32/44/21/520324421.db2.gz FQCPGQCPJKYOHV-LBPRGKRZSA-N 1 0 365.430 2.605 20 5 FFBDRO CC1([NH3+])CCN(C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000592331464 520339311 /nfs/dbraw/zinc/33/93/11/520339311.db2.gz PNVMTJFLJZGGIM-UHFFFAOYSA-N 1 0 374.363 2.755 20 5 FFBDRO C[C@@H](CNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)[N@@H+]1CCCC[C@@H]1C ZINC000609547795 520353662 /nfs/dbraw/zinc/35/36/62/520353662.db2.gz JIPGANJFJUELJK-STQMWFEESA-N 1 0 372.425 2.841 20 5 FFBDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000609549646 520355467 /nfs/dbraw/zinc/35/54/67/520355467.db2.gz GBCDLUBNQNFCCC-BETUJISGSA-N 1 0 372.425 2.841 20 5 FFBDRO [NH3+][C@@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC[C@@H]1c1ccccc1 ZINC000595220829 520356914 /nfs/dbraw/zinc/35/69/14/520356914.db2.gz KOXAGNAPFCLZDT-RTBURBONSA-N 1 0 353.422 2.871 20 5 FFBDRO [NH3+][C@@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC[C@@H]1c1cccc(F)c1 ZINC000595226182 520361132 /nfs/dbraw/zinc/36/11/32/520361132.db2.gz RBNMMFDFGCBGPB-QZTJIDSGSA-N 1 0 357.385 2.620 20 5 FFBDRO Cc1c(NC(=O)NCC23CC(C2)C[NH2+]3)cc(Br)cc1[N+](=O)[O-] ZINC000595231987 520363996 /nfs/dbraw/zinc/36/39/96/520363996.db2.gz MVEQKWBZYIIEBP-UHFFFAOYSA-N 1 0 369.219 2.539 20 5 FFBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000595235165 520365412 /nfs/dbraw/zinc/36/54/12/520365412.db2.gz ROQPLASEQMCGLO-GOSISDBHSA-N 1 0 370.409 2.620 20 5 FFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000609583468 520366241 /nfs/dbraw/zinc/36/62/41/520366241.db2.gz KCIWJPMQFYGMCW-STQMWFEESA-N 1 0 351.472 2.922 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CCOC[C@@H]3CCOC3)cs2)c1 ZINC000609600584 520372901 /nfs/dbraw/zinc/37/29/01/520372901.db2.gz KBPPAKXSEKRRCO-CYBMUJFWSA-N 1 0 363.439 2.861 20 5 FFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000595257187 520377559 /nfs/dbraw/zinc/37/75/59/520377559.db2.gz IEPQYXSNYMXWRR-KRWDZBQOSA-N 1 0 371.393 2.907 20 5 FFBDRO CC(C)([NH3+])CCC(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000592482646 520408625 /nfs/dbraw/zinc/40/86/25/520408625.db2.gz ABTNKMZXSBZPCH-UHFFFAOYSA-N 1 0 362.352 2.659 20 5 FFBDRO CC[C@H]1CN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000592544979 520451623 /nfs/dbraw/zinc/45/16/23/520451623.db2.gz LFXLCLRLZXGADC-JQWIXIFHSA-N 1 0 357.863 2.926 20 5 FFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592554179 520454535 /nfs/dbraw/zinc/45/45/35/520454535.db2.gz GKTLVVIVYTXKLW-LSDHHAIUSA-N 1 0 361.442 2.845 20 5 FFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@H]2CCCS(=O)(=O)C2)s1 ZINC000609851535 520457371 /nfs/dbraw/zinc/45/73/71/520457371.db2.gz WVVTVAKVCGSLPY-LBPRGKRZSA-N 1 0 366.464 2.990 20 5 FFBDRO O=[N+]([O-])c1ccc(CCO)c(-c2ccc([C@@H]3[NH2+]CCc4nc[nH]c43)cc2)c1 ZINC000600790577 520471151 /nfs/dbraw/zinc/47/11/51/520471151.db2.gz BFYZFBZHFHUYTF-IBGZPJMESA-N 1 0 364.405 2.755 20 5 FFBDRO C[C@H](c1ccccc1)[C@H](CO)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000613389751 520479448 /nfs/dbraw/zinc/47/94/48/520479448.db2.gz PPTKJBUALVGLHM-KDOFPFPSSA-N 1 0 357.410 2.678 20 5 FFBDRO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000604489590 520577561 /nfs/dbraw/zinc/57/75/61/520577561.db2.gz OZNSSNXTLAZZDX-AWEZNQCLSA-N 1 0 367.833 2.575 20 5 FFBDRO C[NH+]1CCN(Cc2cccc(NC(=O)c3c(F)cccc3[N+](=O)[O-])c2)CC1 ZINC000601015713 520597752 /nfs/dbraw/zinc/59/77/52/520597752.db2.gz OBOAQVMXEBVOMV-UHFFFAOYSA-N 1 0 372.400 2.734 20 5 FFBDRO CC(=O)N1CCC([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000610252322 520603796 /nfs/dbraw/zinc/60/37/96/520603796.db2.gz UGNWAHIFWOONLS-UHFFFAOYSA-N 1 0 360.439 2.819 20 5 FFBDRO C[C@H](NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])c1nccn1C ZINC000598459297 520628623 /nfs/dbraw/zinc/62/86/23/520628623.db2.gz HEKVMINDPMLWBF-JTQLQIEISA-N 1 0 352.778 2.628 20 5 FFBDRO CCC[N@H+](C)CC(C)(C)NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000598466651 520630187 /nfs/dbraw/zinc/63/01/87/520630187.db2.gz RTCCDSQOFYUTBC-UHFFFAOYSA-N 1 0 374.441 2.758 20 5 FFBDRO CCOC(=O)c1cnc2c(cccc2[N+](=O)[O-])c1N1CC[C@@H](C[NH+](C)C)C1 ZINC000601139498 520655824 /nfs/dbraw/zinc/65/58/24/520655824.db2.gz IWBUPFRBDRKBRN-ZDUSSCGKSA-N 1 0 372.425 2.708 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[NH2+]C23CCCC3)cc1SC ZINC000592953192 520658984 /nfs/dbraw/zinc/65/89/84/520658984.db2.gz RQBGJMWUGCWCMV-HNNXBMFYSA-N 1 0 365.455 2.730 20 5 FFBDRO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000601198907 520682988 /nfs/dbraw/zinc/68/29/88/520682988.db2.gz JMRXMHHMJNOBTN-LLVKDONJSA-N 1 0 361.368 2.881 20 5 FFBDRO CCC1([NH+]2CCCC2)CCN(c2ncc(C(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000601217485 520692752 /nfs/dbraw/zinc/69/27/52/520692752.db2.gz HFMLMZMAUJOVEU-UHFFFAOYSA-N 1 0 362.430 2.621 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1C(F)(F)F ZINC000610468604 520703818 /nfs/dbraw/zinc/70/38/18/520703818.db2.gz QRUVKDOCUCENSM-HUUCEWRRSA-N 1 0 359.348 2.649 20 5 FFBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCCC[C@H]1Cc1ccccc1F ZINC000593080087 520729438 /nfs/dbraw/zinc/72/94/38/520729438.db2.gz DUAHSXIPFNYOMW-INIZCTEOSA-N 1 0 359.401 2.993 20 5 FFBDRO Cc1ccc(S(=O)(=O)N(C)C2CC[NH+](C(C)C)CC2)c(C)c1[N+](=O)[O-] ZINC000598597709 520733987 /nfs/dbraw/zinc/73/39/87/520733987.db2.gz UHXBOUKHSBIMLE-UHFFFAOYSA-N 1 0 369.487 2.705 20 5 FFBDRO C[NH+](C)C[C@H]1CN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])c2ccccc2O1 ZINC000593090184 520737542 /nfs/dbraw/zinc/73/75/42/520737542.db2.gz SIKJSTFDHOUWFV-HNNXBMFYSA-N 1 0 373.384 2.632 20 5 FFBDRO CC1(C)CC[C@@H](CO)N(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000598649964 520761735 /nfs/dbraw/zinc/76/17/35/520761735.db2.gz VTZVCOUXOKGJKL-LBPRGKRZSA-N 1 0 355.822 2.670 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N3C[C@H]4CCC[C@]4([NH3+])C3)cc2[N+](=O)[O-])C1 ZINC000598666907 520775072 /nfs/dbraw/zinc/77/50/72/520775072.db2.gz BGSCTBOFHGASNG-KKVAFCGZSA-N 1 0 372.469 2.785 20 5 FFBDRO C[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C[C@@H]1CCc2ccccc21 ZINC000595882212 520789246 /nfs/dbraw/zinc/78/92/46/520789246.db2.gz ZJNUHGMBYWTYNV-FUHWJXTLSA-N 1 0 356.422 2.996 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000595900575 520805994 /nfs/dbraw/zinc/80/59/94/520805994.db2.gz HFBSKQZGOTXUTA-MRXNPFEDSA-N 1 0 360.458 2.553 20 5 FFBDRO [NH3+][C@@H]1CCc2ccccc2N(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000595904186 520811082 /nfs/dbraw/zinc/81/10/82/520811082.db2.gz TUSSDEAJILAYAF-CQSZACIVSA-N 1 0 374.828 2.967 20 5 FFBDRO C[C@@H]1C[N@H+](C)[C@H](C)[C@@H](C)N1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000593188462 520812879 /nfs/dbraw/zinc/81/28/79/520812879.db2.gz IAVSDAZCYPKBCI-GMTAPVOTSA-N 1 0 370.247 2.910 20 5 FFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1C[C@H](C[NH3+])Cc2ccccc21 ZINC000601549393 520835992 /nfs/dbraw/zinc/83/59/92/520835992.db2.gz GBZHHKKBAWLKQO-ZDUSSCGKSA-N 1 0 355.394 2.771 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000610816238 520853786 /nfs/dbraw/zinc/85/37/86/520853786.db2.gz DWNGGWFKWYHZKW-GJZGRUSLSA-N 1 0 368.437 2.932 20 5 FFBDRO CO[C@H](C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000596066775 520892269 /nfs/dbraw/zinc/89/22/69/520892269.db2.gz QNQOYUQKFCGRAH-MAUKXSAKSA-N 1 0 352.431 2.519 20 5 FFBDRO CC[NH+]1CCN([C@@H](C)CNc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000596077051 520898029 /nfs/dbraw/zinc/89/80/29/520898029.db2.gz GVWPFDFQDUVSOA-LBPRGKRZSA-N 1 0 371.279 2.795 20 5 FFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CNc2ccccc2C1 ZINC000593317177 520904662 /nfs/dbraw/zinc/90/46/62/520904662.db2.gz RIOINUZVSDSYSR-CZUORRHYSA-N 1 0 354.410 2.938 20 5 FFBDRO O=[N+]([O-])c1cc2c(cc1CN1CCN(Cc3ccccc3)CC1)OCCO2 ZINC000610929954 520908765 /nfs/dbraw/zinc/90/87/65/520908765.db2.gz YNTACMSVQABKDJ-UHFFFAOYSA-N 1 0 369.421 2.684 20 5 FFBDRO COC1CC[NH+](C2(CNc3cc[nH]c(=O)c3[N+](=O)[O-])CCCC2)CC1 ZINC000596123003 520925296 /nfs/dbraw/zinc/92/52/96/520925296.db2.gz QZPHLGVGPHSQBE-UHFFFAOYSA-N 1 0 350.419 2.531 20 5 FFBDRO COC(=O)c1c(Cl)c(N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000596150989 520940011 /nfs/dbraw/zinc/94/00/11/520940011.db2.gz GWDIBOVKSOTSEH-GHMZBOCLSA-N 1 0 355.822 2.811 20 5 FFBDRO C[NH+]1CCC(n2cc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cn2)CC1 ZINC000601772007 520944355 /nfs/dbraw/zinc/94/43/55/520944355.db2.gz HUEXVFGJGSBJHK-UHFFFAOYSA-N 1 0 363.805 2.964 20 5 FFBDRO COc1cc(C[NH2+]C[C@@H]2c3ccccc3C(=O)N2C)c([N+](=O)[O-])cc1OC ZINC000598999498 520970140 /nfs/dbraw/zinc/97/01/40/520970140.db2.gz OMVCOHUDAMCSPV-MRXNPFEDSA-N 1 0 371.393 2.529 20 5 FFBDRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593414341 520978398 /nfs/dbraw/zinc/97/83/98/520978398.db2.gz LYCSMBPKZDXTCA-QGZVFWFLSA-N 1 0 359.401 2.566 20 5 FFBDRO O=[N+]([O-])c1c2ccncc2ccc1N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000599020012 520984117 /nfs/dbraw/zinc/98/41/17/520984117.db2.gz LRFKYXSGBIELGZ-MRXNPFEDSA-N 1 0 356.426 2.834 20 5 FFBDRO COc1cccc(C(=O)N[C@@H]2CC[N@H+](Cc3cccc(C)c3)C2)c1[N+](=O)[O-] ZINC000601851645 520988174 /nfs/dbraw/zinc/98/81/74/520988174.db2.gz VFWQTZYHAFMBOY-MRXNPFEDSA-N 1 0 369.421 2.916 20 5 FFBDRO COc1cccc(C(=O)N[C@H]2CC[N@H+](Cc3cccc(C)c3)C2)c1[N+](=O)[O-] ZINC000601851644 520988458 /nfs/dbraw/zinc/98/84/58/520988458.db2.gz VFWQTZYHAFMBOY-INIZCTEOSA-N 1 0 369.421 2.916 20 5 FFBDRO CC(C)[NH2+]C1(CO)CCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000596251397 520994425 /nfs/dbraw/zinc/99/44/25/520994425.db2.gz SERCKLWICVFFAD-UHFFFAOYSA-N 1 0 372.263 2.687 20 5 FFBDRO CN(c1ccc([N+](=O)[O-])c(C(N)=O)c1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000596266598 521001004 /nfs/dbraw/zinc/00/10/04/521001004.db2.gz UUHVIVNTUFADJP-UHFFFAOYSA-N 1 0 374.363 2.547 20 5 FFBDRO Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)c3cc([N+](=O)[O-])cnc3C)C2)cc1 ZINC000601878478 521001725 /nfs/dbraw/zinc/00/17/25/521001725.db2.gz AFJLEAXPXFIUCW-INIZCTEOSA-N 1 0 354.410 2.611 20 5 FFBDRO CC(=O)c1cc([N+](=O)[O-])ccc1OC[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000611150016 521011069 /nfs/dbraw/zinc/01/10/69/521011069.db2.gz QXMIWXTUKXUHAA-KRWDZBQOSA-N 1 0 358.394 2.669 20 5 FFBDRO COc1ccc(NC(=O)CC[NH+]2CC3(C2)CC(F)(F)C3)c([N+](=O)[O-])c1 ZINC000611180448 521024913 /nfs/dbraw/zinc/02/49/13/521024913.db2.gz HRFHZTXSEZWHES-UHFFFAOYSA-N 1 0 355.341 2.663 20 5 FFBDRO C[N@@H+]1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)[C@@H](Cc2ccccc2)C1 ZINC000593504850 521035926 /nfs/dbraw/zinc/03/59/26/521035926.db2.gz RTIQELCCAYCXJR-KRWDZBQOSA-N 1 0 363.421 2.901 20 5 FFBDRO CC1(C)C[NH2+]CC[C@@H](NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000601976527 521052839 /nfs/dbraw/zinc/05/28/39/521052839.db2.gz RIXQQTAFOMPLSW-MRXNPFEDSA-N 1 0 374.485 2.706 20 5 FFBDRO O=[N+]([O-])c1ccccc1-c1ccc(CN2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)o1 ZINC000611268459 521069039 /nfs/dbraw/zinc/06/90/39/521069039.db2.gz SMDDSUQCQJTICH-OALUTQOASA-N 1 0 371.437 2.886 20 5 FFBDRO C[N@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)CC1(O)CCCCCC1 ZINC000614662858 521080180 /nfs/dbraw/zinc/08/01/80/521080180.db2.gz AIDNHLBAFYKFKV-UHFFFAOYSA-N 1 0 350.415 2.883 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[C@H]2[NH+](C)C)cc1SC ZINC000614712423 521103585 /nfs/dbraw/zinc/10/35/85/521103585.db2.gz BQOMPNVTSJIUCB-VXGBXAGGSA-N 1 0 353.444 2.538 20 5 FFBDRO Cc1cc(NC[C@H]2CC(=O)N(C(C)(C)C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000596518794 521111952 /nfs/dbraw/zinc/11/19/52/521111952.db2.gz FNKXMMMNBHPJGI-CYBMUJFWSA-N 1 0 356.426 2.932 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000611370589 521122980 /nfs/dbraw/zinc/12/29/80/521122980.db2.gz KQBZHIMMTBZIEK-GASCZTMLSA-N 1 0 363.458 2.929 20 5 FFBDRO O=[N+]([O-])c1cc(N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)ccc1C(F)(F)F ZINC000596540888 521123149 /nfs/dbraw/zinc/12/31/49/521123149.db2.gz VRKPXECZEZCTFL-CYBMUJFWSA-N 1 0 359.348 2.649 20 5 FFBDRO COc1cccc2c1OC[C@H]([NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)C2 ZINC000618568625 521127743 /nfs/dbraw/zinc/12/77/43/521127743.db2.gz LPUNSRQTNIPCIV-OWCLPIDISA-N 1 0 372.425 2.877 20 5 FFBDRO O=C(CC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)N1CCCCCC1 ZINC000618570522 521129295 /nfs/dbraw/zinc/12/92/95/521129295.db2.gz OWMAXGBSGSIBDG-JKSUJKDBSA-N 1 0 363.462 2.657 20 5 FFBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@@H]2CCS(=O)(=O)c3ccc(F)cc32)c1 ZINC000611409818 521142445 /nfs/dbraw/zinc/14/24/45/521142445.db2.gz LIOTVLQKGXJHHA-MRXNPFEDSA-N 1 0 364.398 2.785 20 5 FFBDRO CN(c1ccccc1)c1ccc(C[NH2+]CC[C@]2(O)CCOC2)cc1[N+](=O)[O-] ZINC000593670962 521142446 /nfs/dbraw/zinc/14/24/46/521142446.db2.gz NNPDMWGJRPAMKG-FQEVSTJZSA-N 1 0 371.437 2.994 20 5 FFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(-c2nncnn2)cc1 ZINC000593693278 521160916 /nfs/dbraw/zinc/16/09/16/521160916.db2.gz KKCGQOSQVQNWDK-AWEZNQCLSA-N 1 0 364.409 2.953 20 5 FFBDRO Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)N[C@H](C)C[N@H+](C)C(C)C)c1 ZINC000593717238 521173054 /nfs/dbraw/zinc/17/30/54/521173054.db2.gz WPHJHBPPGCPCQH-CQSZACIVSA-N 1 0 373.457 2.607 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000593757217 521197604 /nfs/dbraw/zinc/19/76/04/521197604.db2.gz AJOZSAIDJCUSDX-VBQJREDUSA-N 1 0 362.430 2.653 20 5 FFBDRO COc1cc(C[N@@H+]2CCC[C@@H](CCO)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000611518696 521198561 /nfs/dbraw/zinc/19/85/61/521198561.db2.gz DLXQCWVIWXOZAT-LBPRGKRZSA-N 1 0 374.384 2.842 20 5 FFBDRO O=C(NCCC1CC[NH2+]CC1)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000593761879 521200015 /nfs/dbraw/zinc/20/00/15/521200015.db2.gz XDNGDQYWEMHAMV-UHFFFAOYSA-N 1 0 371.235 2.869 20 5 FFBDRO Cc1cc(NC(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)ccc1[N+](=O)[O-] ZINC000593763058 521200882 /nfs/dbraw/zinc/20/08/82/521200882.db2.gz CXUPDHJXCBUHMR-ZQIUZPCESA-N 1 0 362.430 2.653 20 5 FFBDRO CC(C)c1n[nH]c(C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1[N+](=O)[O-] ZINC000611583182 521236375 /nfs/dbraw/zinc/23/63/75/521236375.db2.gz LWRPCQVLPSZLNQ-CHWSQXEVSA-N 1 0 363.462 2.824 20 5 FFBDRO O=C(Nc1ccncc1[N+](=O)[O-])N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000611598091 521244334 /nfs/dbraw/zinc/24/43/34/521244334.db2.gz UNANFVMYSKVBKD-UHFFFAOYSA-N 1 0 361.446 2.532 20 5 FFBDRO CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CC[C@H](CO)C2)cc1OC ZINC000611662675 521270167 /nfs/dbraw/zinc/27/01/67/521270167.db2.gz XJPMGWDYAIQZKG-KGLIPLIRSA-N 1 0 352.431 2.843 20 5 FFBDRO CN(CC[NH+]1CCCCC1)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000593884670 521272945 /nfs/dbraw/zinc/27/29/45/521272945.db2.gz WHGKHNITHQAEDH-UHFFFAOYSA-N 1 0 370.247 2.915 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000596787087 521283332 /nfs/dbraw/zinc/28/33/32/521283332.db2.gz DBSMYSRTGNVRNR-HNNXBMFYSA-N 1 0 364.446 2.786 20 5 FFBDRO CC(C)[NH2+][C@H]1CCCN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000611697162 521285484 /nfs/dbraw/zinc/28/54/84/521285484.db2.gz QYJJQRGKRDOKKQ-LBPRGKRZSA-N 1 0 357.357 2.799 20 5 FFBDRO CCC(CC)[C@@H](CNc1ncnc2ccc([N+](=O)[O-])cc21)[NH+]1CCOCC1 ZINC000611700519 521286503 /nfs/dbraw/zinc/28/65/03/521286503.db2.gz ACEFDFVVFQFLCV-GOSISDBHSA-N 1 0 373.457 2.509 20 5 FFBDRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3)C2)C1 ZINC000593912372 521287352 /nfs/dbraw/zinc/28/73/52/521287352.db2.gz MFIWEXNDOCMSBG-SGIREYDYSA-N 1 0 367.833 2.607 20 5 FFBDRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4o3)C2)C1 ZINC000593911184 521287409 /nfs/dbraw/zinc/28/74/09/521287409.db2.gz FMFWGTOQTZAMKE-DXCKQFNASA-N 1 0 373.409 2.700 20 5 FFBDRO O=C(NCCC1CC[NH2+]CC1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000593918644 521290933 /nfs/dbraw/zinc/29/09/33/521290933.db2.gz HVFZERVMIISXDK-UHFFFAOYSA-N 1 0 360.439 2.838 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000593920098 521292283 /nfs/dbraw/zinc/29/22/83/521292283.db2.gz XFQXCERPZOIPEQ-LESCRADOSA-N 1 0 361.442 2.713 20 5 FFBDRO CC(C)(C)c1ccc(NC(=O)NC2(C[NH3+])CCOCC2)cc1[N+](=O)[O-] ZINC000599605353 521327246 /nfs/dbraw/zinc/32/72/46/521327246.db2.gz ZDXNAJGSMGAKCJ-UHFFFAOYSA-N 1 0 350.419 2.522 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](c2ccncc2)C1 ZINC000593987386 521331738 /nfs/dbraw/zinc/33/17/38/521331738.db2.gz OWIDHWXYSDHKGX-HNNXBMFYSA-N 1 0 370.409 2.817 20 5 FFBDRO Cn1cc(C[N@H+](C)CCCc2cc(-c3ccccc3)n[nH]2)c([N+](=O)[O-])n1 ZINC000602454172 521356365 /nfs/dbraw/zinc/35/63/65/521356365.db2.gz PLDKPUQPGFLIMR-UHFFFAOYSA-N 1 0 354.414 2.783 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H](CC(=O)OC(C)C)C(C)C ZINC000594042555 521368548 /nfs/dbraw/zinc/36/85/48/521368548.db2.gz VIXACTAKTSJJEL-AWEZNQCLSA-N 1 0 365.430 2.798 20 5 FFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000596912587 521375728 /nfs/dbraw/zinc/37/57/28/521375728.db2.gz JZXUQFJQQGNLNY-INIZCTEOSA-N 1 0 364.446 2.732 20 5 FFBDRO C[NH+](C)[C@H](CNCc1nc2cc([N+](=O)[O-])ccc2o1)Cc1ccccc1 ZINC000602503311 521383788 /nfs/dbraw/zinc/38/37/88/521383788.db2.gz LURCQKWQMYZGRE-INIZCTEOSA-N 1 0 354.410 2.999 20 5 FFBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]C[C@H]3CCN(CC(F)(F)F)C3)nc2c1 ZINC000602521320 521392836 /nfs/dbraw/zinc/39/28/36/521392836.db2.gz PESCAXJYKBSAPM-SNVBAGLBSA-N 1 0 358.320 2.710 20 5 FFBDRO CC[S@](=O)[C@@H]1CCC[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602563704 521413696 /nfs/dbraw/zinc/41/36/96/521413696.db2.gz GVGOMXNJARWEJL-UDWROGOWSA-N 1 0 351.428 2.905 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1Nc1cnn(CC[NH+](C)C)c1 ZINC000619153446 521419392 /nfs/dbraw/zinc/41/93/92/521419392.db2.gz RKBSGFMLDNDBOZ-UHFFFAOYSA-N 1 0 367.793 2.537 20 5 FFBDRO CS(=O)(=O)CCCCC[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602619652 521440242 /nfs/dbraw/zinc/44/02/42/521440242.db2.gz IPGKGDBYVXAAMC-UHFFFAOYSA-N 1 0 368.377 2.918 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3COCc4ccccc43)CC2)cn1 ZINC000602694827 521484039 /nfs/dbraw/zinc/48/40/39/521484039.db2.gz KKWJNCXIYZUJEX-SFHVURJKSA-N 1 0 354.410 2.820 20 5 FFBDRO O=[N+]([O-])c1sc(C[NH2+]CCO[C@H]2CC2(F)F)cc1Br ZINC000602707754 521489496 /nfs/dbraw/zinc/48/94/96/521489496.db2.gz IQBYBURKAXCMPK-QMMMGPOBSA-N 1 0 357.176 2.933 20 5 FFBDRO CC1(C)CCC(O)(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 ZINC000602713381 521490802 /nfs/dbraw/zinc/49/08/02/521490802.db2.gz MEMLJDZFEYLPOS-UHFFFAOYSA-N 1 0 362.474 2.880 20 5 FFBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C1 ZINC000599829348 521497577 /nfs/dbraw/zinc/49/75/77/521497577.db2.gz FXVBWMTYEQWFEB-ZDUSSCGKSA-N 1 0 357.414 2.995 20 5 FFBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3ccc([N+](=O)[O-])c4ccncc34)[C@@H]2C1 ZINC000599832687 521501717 /nfs/dbraw/zinc/50/17/17/521501717.db2.gz IGUABJJKGAPLAH-SJKOYZFVSA-N 1 0 355.398 2.701 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCC3CS(=O)(=O)C3)s2)cc1 ZINC000615728144 521515366 /nfs/dbraw/zinc/51/53/66/521515366.db2.gz FHIWUECGEXXRHH-UHFFFAOYSA-N 1 0 366.464 2.848 20 5 FFBDRO COc1ccc([C@H]2CCC[N@@H+]2CCn2c(C)ncc2[N+](=O)[O-])cc1OC ZINC000602760342 521518059 /nfs/dbraw/zinc/51/80/59/521518059.db2.gz QLTIWHVPEJMOSA-OAHLLOKOSA-N 1 0 360.414 2.954 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](C)c1ccc(Br)cn1 ZINC000602821197 521553257 /nfs/dbraw/zinc/55/32/57/521553257.db2.gz MNUHOVKAOXDZGD-VIFPVBQESA-N 1 0 354.208 2.608 20 5 FFBDRO Cn1cc(C[NH2+][C@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)c([N+](=O)[O-])n1 ZINC000602839629 521564457 /nfs/dbraw/zinc/56/44/57/521564457.db2.gz WCMKPLGGAGIIMM-GJZGRUSLSA-N 1 0 367.812 2.656 20 5 FFBDRO COc1c(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cccc1[N+](=O)[O-] ZINC000619440575 521568912 /nfs/dbraw/zinc/56/89/12/521568912.db2.gz HPWOAFFYUJKXSC-CZUORRHYSA-N 1 0 359.426 2.692 20 5 FFBDRO CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000619807427 521881612 /nfs/dbraw/zinc/88/16/12/521881612.db2.gz ZLUPPXDHLNHYDX-QGZVFWFLSA-N 1 0 370.457 2.938 20 5 FFBDRO C[C@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824598562 608462839 /nfs/dbraw/zinc/46/28/39/608462839.db2.gz GKQFXCRQWMBVFJ-LBPRGKRZSA-N 1 0 354.370 2.505 20 5 FFBDRO CC[C@H]([NH2+]CCOc1cccc(-c2nn[nH]n2)c1)c1cccc([N+](=O)[O-])c1 ZINC000825141419 608552004 /nfs/dbraw/zinc/55/20/04/608552004.db2.gz OHLZKQQMOUOWTA-KRWDZBQOSA-N 1 0 368.397 2.895 20 5 FFBDRO C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824656554 609314497 /nfs/dbraw/zinc/31/44/97/609314497.db2.gz LPPUMYCNBDWLQN-QWHCGFSZSA-N 1 0 371.445 2.840 20 5 FFBDRO [NH3+]C1([C@@H]2CN(C(F)(F)c3ccc([N+](=O)[O-])c(Cl)n3)C[C@@H]2CF)CC1 ZINC001164628854 719117324 /nfs/dbraw/zinc/11/73/24/719117324.db2.gz PBFYZOMLCVHQBC-DTWKUNHWSA-N 1 0 364.755 2.701 20 5 FFBDRO C[C@@H]1C[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2Br)CC[N@@H+]1C ZINC000159144868 728901603 /nfs/dbraw/zinc/90/16/03/728901603.db2.gz ZQHUTIDDTCVHAQ-ZJUUUORDSA-N 1 0 356.220 2.570 20 5 FFBDRO C[C@H]1CCC[N@@H+]1CCNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000744345146 735350506 /nfs/dbraw/zinc/35/05/06/735350506.db2.gz LALFSDRVCBIEGK-LBPRGKRZSA-N 1 0 360.439 2.932 20 5 FFBDRO CC[C@H](C(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+](CC)CC ZINC000745096086 735398755 /nfs/dbraw/zinc/39/87/55/735398755.db2.gz UCBKEEDBGYYLRA-SWLSCSKDSA-N 1 0 351.403 2.585 20 5 FFBDRO CC[N@H+](C)C[C@H]1CCN([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000072858616 728214283 /nfs/dbraw/zinc/21/42/83/728214283.db2.gz ASEBSZALYGYAPA-QWHCGFSZSA-N 1 0 368.865 2.849 20 5 FFBDRO CCC[N@H+](C)C[C@@H]1CCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000081571215 728401780 /nfs/dbraw/zinc/40/17/80/728401780.db2.gz WYIIAJIBVJENED-ZDUSSCGKSA-N 1 0 368.865 2.850 20 5 FFBDRO O=[N+]([O-])c1c(F)cccc1N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000112076482 728540779 /nfs/dbraw/zinc/54/07/79/728540779.db2.gz WZJYVLWJUNLDDD-UHFFFAOYSA-N 1 0 365.327 2.825 20 5 FFBDRO C[C@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000126088530 728693009 /nfs/dbraw/zinc/69/30/09/728693009.db2.gz KWZSBIUZYJRNKU-JTQLQIEISA-N 1 0 363.867 2.503 20 5 FFBDRO CC[C@](C)(CC(=O)OC)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000134149835 728728839 /nfs/dbraw/zinc/72/88/39/728728839.db2.gz HPGUXLWMQIQSQT-QGZVFWFLSA-N 1 0 351.403 2.553 20 5 FFBDRO C[C@@H](CNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000778695112 738405616 /nfs/dbraw/zinc/40/56/16/738405616.db2.gz IJURVEGOSWNNAM-ZDUSSCGKSA-N 1 0 368.865 2.964 20 5 FFBDRO C[C@H]1[C@H]([NH3+])CCN1c1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000261719668 729652584 /nfs/dbraw/zinc/65/25/84/729652584.db2.gz PYWPPGZIZZHRDP-GZMMTYOYSA-N 1 0 351.204 2.831 20 5 FFBDRO CS[C@H]1CN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C[C@H]1[NH+](C)C ZINC000779351975 738457578 /nfs/dbraw/zinc/45/75/78/738457578.db2.gz XFJAALOPDCZVBJ-OLZOCXBDSA-N 1 0 358.851 2.758 20 5 FFBDRO CC[N@H+](CCNC(=O)c1cccc([N+](=O)[O-])c1Br)C(C)C ZINC000760810479 736670078 /nfs/dbraw/zinc/67/00/78/736670078.db2.gz HKEGWCOOIHHXNB-UHFFFAOYSA-N 1 0 358.236 2.817 20 5 FFBDRO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)c1cccc([N+](=O)[O-])c1Cl ZINC000859356299 730451707 /nfs/dbraw/zinc/45/17/07/730451707.db2.gz NPFIXYYDMJUHRU-CYBMUJFWSA-N 1 0 367.833 2.621 20 5 FFBDRO CCN(C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000861892960 730651027 /nfs/dbraw/zinc/65/10/27/730651027.db2.gz ZJRCICLSWLWGLZ-UHFFFAOYSA-N 1 0 357.813 2.873 20 5 FFBDRO CC[NH+](CC)CCCNC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000864440919 730845804 /nfs/dbraw/zinc/84/58/04/730845804.db2.gz SOUHSOZBTWLWCM-UHFFFAOYSA-N 1 0 372.263 2.748 20 5 FFBDRO C[NH+](C)CC(C)(C)CNC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000864609800 730864915 /nfs/dbraw/zinc/86/49/15/730864915.db2.gz GNIIQNNLAPEFPI-UHFFFAOYSA-N 1 0 372.263 2.604 20 5 FFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCCN1CCCO[C@@H](C)C1 ZINC000866347741 731051311 /nfs/dbraw/zinc/05/13/11/731051311.db2.gz JJGPLIOGPRYKTC-CABCVRRESA-N 1 0 353.438 2.755 20 5 FFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCCN1CCCO[C@H](C)C1 ZINC000866347747 731051318 /nfs/dbraw/zinc/05/13/18/731051318.db2.gz JJGPLIOGPRYKTC-LSDHHAIUSA-N 1 0 353.438 2.755 20 5 FFBDRO Cc1cc(S(=O)(=O)NC2CC[NH+](C(C)(C)C)CC2)c([N+](=O)[O-])s1 ZINC000866551740 731073452 /nfs/dbraw/zinc/07/34/52/731073452.db2.gz CJIJARZMAOYAIY-UHFFFAOYSA-N 1 0 361.489 2.506 20 5 FFBDRO COCCC1(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC[NH2+]CC1 ZINC000868038865 731253910 /nfs/dbraw/zinc/25/39/10/731253910.db2.gz FBWCCQCMUIZRAQ-UHFFFAOYSA-N 1 0 363.439 2.698 20 5 FFBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H]1COC2(CCOCC2)O1 ZINC000872058526 731724884 /nfs/dbraw/zinc/72/48/84/731724884.db2.gz VMKDCBJPEABOPW-OCCSQVGLSA-N 1 0 368.455 2.889 20 5 FFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@@H](CO)c2ccc(Cl)cc2)c1 ZINC000872246970 731745676 /nfs/dbraw/zinc/74/56/76/731745676.db2.gz IBZIOMSDVIMKBQ-YOEHRIQHSA-N 1 0 350.802 2.647 20 5 FFBDRO O=C1[C@H](c2ccc([N+](=O)[O-])cc2)CCN1C[N@@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000872720486 731819463 /nfs/dbraw/zinc/81/94/63/731819463.db2.gz QRPHTXXZHGRFHV-UXLLHSPISA-N 1 0 361.467 2.553 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]Cc1ccc2c(c1)CCS2(=O)=O ZINC000873075989 731871806 /nfs/dbraw/zinc/87/18/06/731871806.db2.gz NSCSPESIIAJATM-UHFFFAOYSA-N 1 0 360.435 2.831 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3C)cc1SC ZINC000874835768 732105463 /nfs/dbraw/zinc/10/54/63/732105463.db2.gz ADXAQSOGIOANTC-QWHCGFSZSA-N 1 0 365.455 2.634 20 5 FFBDRO [NH3+]C[C@@H]1CN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CC[C@@H]1C(F)(F)F ZINC000877016810 732312530 /nfs/dbraw/zinc/31/25/30/732312530.db2.gz ICNQMMUQTUUFFH-SCZZXKLOSA-N 1 0 365.739 2.848 20 5 FFBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000877246998 732336415 /nfs/dbraw/zinc/33/64/15/732336415.db2.gz UZKAUEGUVFOOTK-LMKPVCQUSA-N 1 0 369.874 2.987 20 5 FFBDRO O=C(N[C@]12CCC[C@@H]1[NH2+]CC2)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000877390999 732356414 /nfs/dbraw/zinc/35/64/14/732356414.db2.gz HNNLMPLLXRFXQN-YOEHRIQHSA-N 1 0 358.423 2.733 20 5 FFBDRO CN(CCCCCC[NH3+])C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000877439396 732362311 /nfs/dbraw/zinc/36/23/11/732362311.db2.gz HJBBZORPSPLIAW-UHFFFAOYSA-N 1 0 372.263 2.877 20 5 FFBDRO C[C@@H](COc1c(F)cccc1F)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877626965 732400460 /nfs/dbraw/zinc/40/04/60/732400460.db2.gz DUYVMHMVIKUTDZ-UNXYVOJBSA-N 1 0 352.341 2.830 20 5 FFBDRO CC(C)(O)C[N@@H+]1CC[C@H](NCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000877665916 732409108 /nfs/dbraw/zinc/40/91/08/732409108.db2.gz NSOLYZWSRMZEPC-ZDUSSCGKSA-N 1 0 361.364 2.548 20 5 FFBDRO C[N@@H+]1CC[C@H]2CN(Cc3cc(Br)c([N+](=O)[O-])s3)CC[C@@H]21 ZINC000877741006 732421738 /nfs/dbraw/zinc/42/17/38/732421738.db2.gz MAAWBRCYEAPWDU-CABZTGNLSA-N 1 0 360.277 2.945 20 5 FFBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H](O)c1cc(Br)no1 ZINC000878566167 732555391 /nfs/dbraw/zinc/55/53/91/732555391.db2.gz UAGUEQKUUABRCZ-LBPRGKRZSA-N 1 0 370.203 2.553 20 5 FFBDRO C[NH+]1CCC2(CCN(CC(=O)Nc3cc(Cl)ccc3[N+](=O)[O-])C2)CC1 ZINC000878865932 732606141 /nfs/dbraw/zinc/60/61/41/732606141.db2.gz FQJJPXOGVBJRQY-UHFFFAOYSA-N 1 0 366.849 2.604 20 5 FFBDRO CC[C@@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@@H]1CCCOC1 ZINC000880468282 732912079 /nfs/dbraw/zinc/91/20/79/732912079.db2.gz CPMGCLOQRBBIEY-IUODEOHRSA-N 1 0 353.394 2.857 20 5 FFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1CCN1C1CCOCC1 ZINC000927103446 738690790 /nfs/dbraw/zinc/69/07/90/738690790.db2.gz QRZAVOXUSHNYED-DYVFJYSZSA-N 1 0 351.422 2.508 20 5 FFBDRO O=C(CC[N@@H+]1CCC[C@@H]2COCC[C@H]21)Nc1cc([N+](=O)[O-])ccc1F ZINC000782510391 738728745 /nfs/dbraw/zinc/72/87/45/738728745.db2.gz HTLDPQVDFXYEGH-MLGOLLRUSA-N 1 0 351.378 2.563 20 5 FFBDRO COc1cc(C[N@@H+]2C[C@@H]3CSC[C@@H]3C2)c([N+](=O)[O-])cc1OC(F)F ZINC000886557106 733802219 /nfs/dbraw/zinc/80/22/19/733802219.db2.gz SBWYSMUEPPSLGW-PHIMTYICSA-N 1 0 360.382 3.000 20 5 FFBDRO O=C(CC[N@@H+]1CC[C@@H]([C@@H]2CCCO2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000886822467 733843781 /nfs/dbraw/zinc/84/37/81/733843781.db2.gz QRUJSEVMMKLXPF-WBMJQRKESA-N 1 0 351.378 2.563 20 5 FFBDRO Cc1sc(-c2ccc([N+](=O)[O-])cc2)nc1-c1cn([C@H]2CC[NH2+]C2)nn1 ZINC000887403976 733922863 /nfs/dbraw/zinc/92/28/63/733922863.db2.gz PMZOSUINCMSSEY-ZDUSSCGKSA-N 1 0 356.411 2.820 20 5 FFBDRO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000927645662 738765238 /nfs/dbraw/zinc/76/52/38/738765238.db2.gz PBQMBTAPKYUONC-CYBMUJFWSA-N 1 0 368.821 2.623 20 5 FFBDRO O=[N+]([O-])c1ccccc1-c1nc(-c2cn(C[C@H]3CCC[NH2+]3)nn2)cs1 ZINC000887486061 733935332 /nfs/dbraw/zinc/93/53/32/733935332.db2.gz CCCAONPJBUYCDU-LLVKDONJSA-N 1 0 356.411 2.729 20 5 FFBDRO Cc1sc(-c2ccccc2[N+](=O)[O-])nc1-c1cn(CC2C[NH2+]C2)nn1 ZINC000887486119 733935388 /nfs/dbraw/zinc/93/53/88/733935388.db2.gz DWJHUBNELWYUQY-UHFFFAOYSA-N 1 0 356.411 2.505 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783577302 738816303 /nfs/dbraw/zinc/81/63/03/738816303.db2.gz ZDXPXBMZUIJXRO-COXVUDFISA-N 1 0 353.850 2.932 20 5 FFBDRO CC(C)(C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12)c1ccccc1[N+](=O)[O-] ZINC000928079379 738816637 /nfs/dbraw/zinc/81/66/37/738816637.db2.gz IOMJWIRWDDRDDB-ZBFHGGJFSA-N 1 0 363.483 2.568 20 5 FFBDRO CC[NH+](CC)CCN(CCOC)C(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000729641986 734588459 /nfs/dbraw/zinc/58/84/59/734588459.db2.gz BBLBHEBXXPNGEV-UHFFFAOYSA-N 1 0 354.476 2.582 20 5 FFBDRO C[C@@]1(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[NH+]2CCC1CC2 ZINC000892776327 734602394 /nfs/dbraw/zinc/60/23/94/734602394.db2.gz CCEXFOOESCSMMV-OAHLLOKOSA-N 1 0 357.332 2.828 20 5 FFBDRO COc1c(O)ccc(C[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)c1[N+](=O)[O-] ZINC000893277500 734679184 /nfs/dbraw/zinc/67/91/84/734679184.db2.gz YZAHZECLQDDSIR-IFUGULHKSA-N 1 0 356.469 2.778 20 5 FFBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CCC[C@H]1C ZINC000783920731 738849081 /nfs/dbraw/zinc/84/90/81/738849081.db2.gz OFRDRCCWNXIIQA-CYBMUJFWSA-N 1 0 367.471 2.547 20 5 FFBDRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000894048515 734792951 /nfs/dbraw/zinc/79/29/51/734792951.db2.gz ZGGTVGPRGYJEQO-HUUCEWRRSA-N 1 0 366.849 2.669 20 5 FFBDRO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000733157717 734794279 /nfs/dbraw/zinc/79/42/79/734794279.db2.gz CXOZSFLEWNGRBP-CQSZACIVSA-N 1 0 367.833 2.621 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C[C@H]1C ZINC000740886552 735095511 /nfs/dbraw/zinc/09/55/11/735095511.db2.gz UEZPBVNWESJBRW-OCCSQVGLSA-N 1 0 368.865 2.991 20 5 FFBDRO COC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000896124229 735104552 /nfs/dbraw/zinc/10/45/52/735104552.db2.gz IAJRJXRKZQZULO-SFYZADRCSA-N 1 0 363.233 2.850 20 5 FFBDRO CC(C)[C@H]([NH3+])c1cn(Cc2cc([N+](=O)[O-])ccc2Br)nn1 ZINC000900595290 735665864 /nfs/dbraw/zinc/66/58/64/735665864.db2.gz DPSPMPQVCCMUBR-ZDUSSCGKSA-N 1 0 354.208 2.653 20 5 FFBDRO CS[C@H]1CN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C[C@@H]1[NH+](C)C ZINC000901230431 735758915 /nfs/dbraw/zinc/75/89/15/735758915.db2.gz PMBDAKDRSIOKIQ-RYUDHWBXSA-N 1 0 361.826 2.505 20 5 FFBDRO CN(CC(=O)Nc1ccccc1Cl)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750037031 735767631 /nfs/dbraw/zinc/76/76/31/735767631.db2.gz OFDUCPBEBFZTBD-INIZCTEOSA-N 1 0 363.801 2.852 20 5 FFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCOC2CCSCC2)n1 ZINC000903446156 736095895 /nfs/dbraw/zinc/09/58/95/736095895.db2.gz MWKDPLRHWVIGEX-GJZGRUSLSA-N 1 0 354.476 2.777 20 5 FFBDRO O=C(C[NH2+][C@@H](CCO)c1cccs1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000754391897 736155561 /nfs/dbraw/zinc/15/55/61/736155561.db2.gz YOKHICHSAVXSLJ-LBPRGKRZSA-N 1 0 369.830 2.962 20 5 FFBDRO O=C(C[NH2+]C1(CCO)CCCCC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000755025731 736227708 /nfs/dbraw/zinc/22/77/08/736227708.db2.gz HGEFAYFJWYJJMX-UHFFFAOYSA-N 1 0 355.822 2.862 20 5 FFBDRO C[C@@H]1C[C@@H](NC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000755025988 736227774 /nfs/dbraw/zinc/22/77/74/736227774.db2.gz PZBUTWBLJZKKAX-KOLCDFICSA-N 1 0 371.235 2.962 20 5 FFBDRO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CC[NH2+]CCC12CCOCC2 ZINC000904276219 736239665 /nfs/dbraw/zinc/23/96/65/736239665.db2.gz IREXKHYABSRDJX-UHFFFAOYSA-N 1 0 368.821 2.625 20 5 FFBDRO Cc1c(NC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)cc(Br)cc1[N+](=O)[O-] ZINC000904464190 736253733 /nfs/dbraw/zinc/25/37/33/736253733.db2.gz XGQWXZXJWUHENE-JFGNBEQYSA-N 1 0 369.219 2.680 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]C[C@H](O)CC1(CO)CCCC1 ZINC000905203238 736309095 /nfs/dbraw/zinc/30/90/95/736309095.db2.gz PLXUQRNHJFCDEZ-OAHLLOKOSA-N 1 0 356.850 2.684 20 5 FFBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000756967374 736378340 /nfs/dbraw/zinc/37/83/40/736378340.db2.gz WMLCUEHUXMKLDT-QWHCGFSZSA-N 1 0 352.822 2.674 20 5 FFBDRO CC[NH+](CC)CCSCC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000756991408 736381611 /nfs/dbraw/zinc/38/16/11/736381611.db2.gz QTGMCHJCOWRLKX-UHFFFAOYSA-N 1 0 359.879 2.939 20 5 FFBDRO CC[N@H+](CCNC(=O)c1cc(F)ccc1[N+](=O)[O-])CCC(F)(F)F ZINC000757614227 736413555 /nfs/dbraw/zinc/41/35/55/736413555.db2.gz ODRNBVBIJGCQNK-UHFFFAOYSA-N 1 0 351.300 2.738 20 5 FFBDRO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1CCC[C@@H]([NH+](C)C)CC1 ZINC000758211854 736463378 /nfs/dbraw/zinc/46/33/78/736463378.db2.gz UYCPEFQAHONFDT-GFCCVEGCSA-N 1 0 353.394 2.831 20 5 FFBDRO CN(C(=O)c1cccc([N+](=O)[O-])c1Br)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000758333757 736476730 /nfs/dbraw/zinc/47/67/30/736476730.db2.gz CACDDPIYEFCZAU-LLVKDONJSA-N 1 0 368.231 2.666 20 5 FFBDRO Nc1c(Cl)cc(C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000906815353 736546907 /nfs/dbraw/zinc/54/69/07/736546907.db2.gz XGHNAYWJYKURLV-LBPRGKRZSA-N 1 0 366.849 2.778 20 5 FFBDRO C[C@H]1C[N@H+](CCCNC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)CCCO1 ZINC000907756787 736664100 /nfs/dbraw/zinc/66/41/00/736664100.db2.gz SKXRCFURRLBTEV-NSHDSACASA-N 1 0 373.812 2.618 20 5 FFBDRO COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000761507842 736741338 /nfs/dbraw/zinc/74/13/38/736741338.db2.gz ZDAUBYQAZIHWLU-GXTWGEPZSA-N 1 0 369.849 2.611 20 5 FFBDRO CC[N@H+](C[C@@H]1CCOC1)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000764197669 737000804 /nfs/dbraw/zinc/00/08/04/737000804.db2.gz PQEPPNYUUJSXAO-NEPJUHHUSA-N 1 0 355.822 2.934 20 5 FFBDRO CCCN(CC[NH+](CC)CC)C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000764450194 737018681 /nfs/dbraw/zinc/01/86/81/737018681.db2.gz DAYMLVCZTZKXQE-UHFFFAOYSA-N 1 0 365.459 2.794 20 5 FFBDRO CC(C)c1n[nH]c(C(=O)N2[C@H](C)CCC[C@H]2CC[NH+](C)C)c1[N+](=O)[O-] ZINC000912650113 737327702 /nfs/dbraw/zinc/32/77/02/737327702.db2.gz IENIDKPWAODAPC-OLZOCXBDSA-N 1 0 351.451 2.776 20 5 FFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CN2CCC[C@H]2CO1 ZINC000768100856 737397883 /nfs/dbraw/zinc/39/78/83/737397883.db2.gz DFSOZXIAKWMJTG-PMPSAXMXSA-N 1 0 365.499 2.918 20 5 FFBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@H]1CCCC[C@@H]1N1CCOCC1 ZINC000769802956 737568285 /nfs/dbraw/zinc/56/82/85/737568285.db2.gz XJANLXFJBJVWNM-RDJZCZTQSA-N 1 0 353.850 2.981 20 5 FFBDRO CC[NH+](CC)CCSCC(=O)N1CCc2cc(C)c([N+](=O)[O-])cc21 ZINC000773990502 737951430 /nfs/dbraw/zinc/95/14/30/737951430.db2.gz DDKZOFXNZRWLQV-UHFFFAOYSA-N 1 0 351.472 2.867 20 5 FFBDRO C[C@H](NC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12)c1ccccc1[N+](=O)[O-] ZINC000921806127 738047842 /nfs/dbraw/zinc/04/78/42/738047842.db2.gz IYJPYGBXHDGTAL-NOLJZWGESA-N 1 0 364.471 2.535 20 5 FFBDRO CO[C@@]1(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCSC1 ZINC000922572674 738167950 /nfs/dbraw/zinc/16/79/50/738167950.db2.gz ZECPQYKYGOVTRU-QGZVFWFLSA-N 1 0 362.455 2.607 20 5 FFBDRO Cn1cc(Br)cc1C[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776587571 738211912 /nfs/dbraw/zinc/21/19/12/738211912.db2.gz WRYKHQBXYXCDAN-OAHLLOKOSA-N 1 0 368.231 2.861 20 5 FFBDRO COC(=O)CC1([NH2+]Cc2ccc(Br)c([N+](=O)[O-])c2)CCC1 ZINC000777441826 738289616 /nfs/dbraw/zinc/28/96/16/738289616.db2.gz ZPMGEQUDDWXEFH-UHFFFAOYSA-N 1 0 357.204 2.933 20 5 FFBDRO CCC[NH+]1CCC(CNC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000778257590 738367449 /nfs/dbraw/zinc/36/74/49/738367449.db2.gz WWWGZKJCESFUKB-UHFFFAOYSA-N 1 0 355.385 2.925 20 5 FFBDRO CCOC(=O)c1cc([N+](=O)[O-])c(NC[C@@H](C)[NH+](C)C)cc1Br ZINC000785776032 738997006 /nfs/dbraw/zinc/99/70/06/738997006.db2.gz MJFQHECGUQXQIZ-SECBINFHSA-N 1 0 374.235 2.896 20 5 FFBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000929630504 739005821 /nfs/dbraw/zinc/00/58/21/739005821.db2.gz BHTGITGZLBCPTH-STQMWFEESA-N 1 0 367.471 2.546 20 5 FFBDRO CCOC(CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)OCC ZINC000786967683 739093944 /nfs/dbraw/zinc/09/39/44/739093944.db2.gz NLBITVVVKYQWFD-UHFFFAOYSA-N 1 0 351.447 2.942 20 5 FFBDRO O=[N+]([O-])c1ccc(Br)c(CN2CCC[C@@H](n3ccnn3)C2)c1 ZINC000930759236 739158662 /nfs/dbraw/zinc/15/86/62/739158662.db2.gz LCQOTZZDMWFXBF-CYBMUJFWSA-N 1 0 366.219 2.786 20 5 FFBDRO CC1(C)C[C@@H]([NH2+]CCS(=O)(=O)CC2CC2)c2cc([N+](=O)[O-])ccc21 ZINC000788593758 739261589 /nfs/dbraw/zinc/26/15/89/739261589.db2.gz WBTBHRWIOFBILB-MRXNPFEDSA-N 1 0 352.456 2.732 20 5 FFBDRO C[NH+]1CCC(NC(=S)Nc2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000789359104 739341925 /nfs/dbraw/zinc/34/19/25/739341925.db2.gz PMIZNUZOMYMCIR-UHFFFAOYSA-N 1 0 373.276 2.738 20 5 FFBDRO O=[N+]([O-])c1ccc(Br)c(C[N@@H+]2CC[C@@H](C3OCCO3)C2)c1 ZINC000931999664 739369558 /nfs/dbraw/zinc/36/95/58/739369558.db2.gz YOFZAIRPRPFIGU-SNVBAGLBSA-N 1 0 357.204 2.552 20 5 FFBDRO C[C@]1([C@H]2CCC[N@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C2)COC(=O)N1 ZINC000932017555 739373376 /nfs/dbraw/zinc/37/33/76/739373376.db2.gz WGBWHVIHDHJGND-BLLLJJGKSA-N 1 0 353.806 2.959 20 5 FFBDRO CC(C)CN(CC[NH+](C)C)C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000790895543 739509963 /nfs/dbraw/zinc/50/99/63/739509963.db2.gz VPWOEWLQBJUDFS-UHFFFAOYSA-N 1 0 359.829 2.976 20 5 FFBDRO Nc1c(C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cc(Cl)c(F)c1[N+](=O)[O-] ZINC000933335152 739606563 /nfs/dbraw/zinc/60/65/63/739606563.db2.gz KSQCJOSCWBJHIC-SNVBAGLBSA-N 1 0 370.812 2.527 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCCSC[C@H]1C1CC1 ZINC000933913393 739704145 /nfs/dbraw/zinc/70/41/45/739704145.db2.gz BUXXPFXRIBICBI-HOCLYGCPSA-N 1 0 352.456 2.552 20 5 FFBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC000935978258 740040647 /nfs/dbraw/zinc/04/06/47/740040647.db2.gz VTQSQKCEWLPJIY-CABZTGNLSA-N 1 0 370.812 2.668 20 5 FFBDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@@H+]2CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000796329946 740132634 /nfs/dbraw/zinc/13/26/34/740132634.db2.gz LZWSRCLTKOGOGW-CPTIBSQESA-N 1 0 365.817 2.542 20 5 FFBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000796434448 740142860 /nfs/dbraw/zinc/14/28/60/740142860.db2.gz LOVIJPTZGCIBNP-TZMCWYRMSA-N 1 0 366.849 2.745 20 5 FFBDRO CNC(=O)OC[C@H]1CCCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000805825238 741014364 /nfs/dbraw/zinc/01/43/64/741014364.db2.gz OIVUCQFZEBBSBL-OAHLLOKOSA-N 1 0 351.403 2.574 20 5 FFBDRO C[C@@H]1CCC[C@H](C)[N@H+]1CC(N)=NOCCOc1cccc([N+](=O)[O-])c1 ZINC000809374877 741302937 /nfs/dbraw/zinc/30/29/37/741302937.db2.gz RFSOWHBERQDCML-OKILXGFUSA-N 1 0 350.419 2.735 20 5 FFBDRO COCc1nc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cs1 ZINC000810253565 741401778 /nfs/dbraw/zinc/40/17/78/741401778.db2.gz WYLJSJVFBYZFOF-UHFFFAOYSA-N 1 0 362.455 2.956 20 5 FFBDRO CC[NH+](CC)CC(C)(C)COC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000813150496 741682694 /nfs/dbraw/zinc/68/26/94/741682694.db2.gz FQWAUMCESFJOCB-UHFFFAOYSA-N 1 0 352.387 2.848 20 5 FFBDRO CN(C)c1cc(F)c(C(=O)OCC[C@@H]2CCCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000814482784 741835415 /nfs/dbraw/zinc/83/54/15/741835415.db2.gz ASAFCBILOHHICN-LBPRGKRZSA-N 1 0 353.394 2.831 20 5 FFBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])[C@H]1n1cccn1 ZINC000815166288 741908224 /nfs/dbraw/zinc/90/82/24/741908224.db2.gz AAHJPXRCJRSSRL-FVQBIDKESA-N 1 0 350.806 2.953 20 5 FFBDRO Cc1cc(Cl)ccc1C[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001005379527 742253173 /nfs/dbraw/zinc/25/31/73/742253173.db2.gz UFDWUCQGETZOCW-IAGOWNOFSA-N 1 0 365.861 2.736 20 5 FFBDRO CC1CCC2(CC1)OC[C@@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)O2 ZINC000819215372 742355203 /nfs/dbraw/zinc/35/52/03/742355203.db2.gz HJCUEVXKOGWSCG-NBIFXARBSA-N 1 0 350.415 2.540 20 5 FFBDRO Cc1nc2c(s1)[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)CCC2 ZINC000819216113 742355714 /nfs/dbraw/zinc/35/57/14/742355714.db2.gz CTLSAGXDTLPKAP-DZGCQCFKSA-N 1 0 363.439 2.767 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CCC2(C1)CC[NH+](C)CC2 ZINC000820581302 742521906 /nfs/dbraw/zinc/52/19/06/742521906.db2.gz PKNADZNCANZAOO-UHFFFAOYSA-N 1 0 367.833 2.957 20 5 FFBDRO CN(CCn1cnc(Br)n1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000821390480 742620070 /nfs/dbraw/zinc/62/00/70/742620070.db2.gz AVBFASRSZYRZDQ-UHFFFAOYSA-N 1 0 374.626 2.734 20 5 FFBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000824352142 743060478 /nfs/dbraw/zinc/06/04/78/743060478.db2.gz XWGLIMONBUFYOK-GOSISDBHSA-N 1 0 359.813 2.796 20 5 FFBDRO COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000824644948 743121279 /nfs/dbraw/zinc/12/12/79/743121279.db2.gz VEKTXCPZZDLVJQ-NEPJUHHUSA-N 1 0 353.419 2.995 20 5 FFBDRO O=C(N[C@H]1CC[C@H](C[NH2+]Cc2sccc2Cl)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001050326345 743511482 /nfs/dbraw/zinc/51/14/82/743511482.db2.gz YIPLMGULNHXFBJ-HKUMRIAESA-N 1 0 371.890 2.831 20 5 FFBDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC000828958863 745146099 /nfs/dbraw/zinc/14/60/99/745146099.db2.gz JIMTZECDEUAYGJ-JKSUJKDBSA-N 1 0 351.834 2.876 20 5 FFBDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000830991005 745463212 /nfs/dbraw/zinc/46/32/12/745463212.db2.gz PUMKLDSRKKNVSZ-NDMJEZRESA-N 1 0 369.805 2.507 20 5 FFBDRO CO[C@@H]1C[C@@H]([NH2+][C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1(C)C ZINC000831334454 745516670 /nfs/dbraw/zinc/51/66/70/745516670.db2.gz WHVFPDBVGDNLEX-CUOATXAZSA-N 1 0 355.822 2.978 20 5 FFBDRO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000831669606 745563785 /nfs/dbraw/zinc/56/37/85/745563785.db2.gz FLXRHPHQVSNZPD-YPMHNXCESA-N 1 0 369.805 2.508 20 5 FFBDRO COc1cc(N)c([N+](=O)[O-])cc1C(=O)OC[C@@H]1CCCC[N@@H+]1C(C)C ZINC000837667304 746495879 /nfs/dbraw/zinc/49/58/79/746495879.db2.gz VDZKEOQDZIBPPT-LBPRGKRZSA-N 1 0 351.403 2.605 20 5 FFBDRO CCOC[C@H]1CCCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000839183886 746797093 /nfs/dbraw/zinc/79/70/93/746797093.db2.gz PQIBWUQJVFHMBI-CQSZACIVSA-N 1 0 353.394 2.954 20 5 FFBDRO CC[C@H]1CN(C)CCN1C(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000839393075 746821434 /nfs/dbraw/zinc/82/14/34/746821434.db2.gz VJSRDISFTAJRFN-NSHDSACASA-N 1 0 356.220 2.524 20 5 FFBDRO Cc1c(C(=O)NC(C)(C)CCC[NH+](C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000839412416 746824284 /nfs/dbraw/zinc/82/42/84/746824284.db2.gz NZNDETIESDZXCM-UHFFFAOYSA-N 1 0 352.391 2.662 20 5 FFBDRO O=C(CN1CCC[C@H]2COCC[C@@H]21)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839502359 746841523 /nfs/dbraw/zinc/84/15/23/746841523.db2.gz HWBFEIVNZFLRTC-FZMZJTMJSA-N 1 0 353.806 2.688 20 5 FFBDRO [NH3+][C@H]1CCO[C@H](C2CCN(Cc3cc([N+](=O)[O-])ccc3Cl)CC2)C1 ZINC000841103851 747270181 /nfs/dbraw/zinc/27/01/81/747270181.db2.gz KXLXPKNBUSFDJK-YOEHRIQHSA-N 1 0 353.850 2.967 20 5 FFBDRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000842510852 747623274 /nfs/dbraw/zinc/62/32/74/747623274.db2.gz UUXLZSRENINHQF-GOEBONIOSA-N 1 0 367.833 2.607 20 5 FFBDRO [NH3+][C@@H]1CCO[C@@H](C2CCN(C(=O)c3cccc(Cl)c3[N+](=O)[O-])CC2)C1 ZINC000842510037 747623288 /nfs/dbraw/zinc/62/32/88/747623288.db2.gz OARKWHVQJBVEJG-IUODEOHRSA-N 1 0 367.833 2.607 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@@H](O)c2c(F)cccc2Cl)cc1 ZINC000843084274 747764779 /nfs/dbraw/zinc/76/47/79/747764779.db2.gz OQSIMTXDVVPMKW-HUUCEWRRSA-N 1 0 354.765 2.744 20 5 FFBDRO Cc1c([N+](=O)[O-])cc(C(=O)NCC2([NH3+])CCCCCC2)cc1[N+](=O)[O-] ZINC000843304757 747808328 /nfs/dbraw/zinc/80/83/28/747808328.db2.gz BIDPSZLPZXAHDC-UHFFFAOYSA-N 1 0 350.375 2.593 20 5 FFBDRO CCC[C@@H]1C[NH2+]CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000843454488 747839616 /nfs/dbraw/zinc/83/96/16/747839616.db2.gz RHYDXBUVDQEKAU-SNVBAGLBSA-N 1 0 374.210 2.711 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CCC[C@@H]2CC2(Cl)Cl)c1 ZINC000844277488 747996494 /nfs/dbraw/zinc/99/64/94/747996494.db2.gz LNYJVTOUGJQZHV-YPMHNXCESA-N 1 0 363.241 2.898 20 5 FFBDRO C[C@@H]1[C@@H](C)[N@@H+](C)C[C@H](C)N1C(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000844640412 748062216 /nfs/dbraw/zinc/06/22/16/748062216.db2.gz HIHULKSWUCLNLS-HBNTYKKESA-N 1 0 370.247 2.910 20 5 FFBDRO C[C@@H]1C[N@H+](C)[C@H](C)[C@H](C)N1C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000844643996 748063625 /nfs/dbraw/zinc/06/36/25/748063625.db2.gz ZLSKAPZEYYTXNB-MXWKQRLJSA-N 1 0 357.813 2.869 20 5 FFBDRO O=[N+]([O-])c1ccc(Cl)cc1CN1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000848929395 749036467 /nfs/dbraw/zinc/03/64/67/749036467.db2.gz DLEDGIZASKHVEG-MRXNPFEDSA-N 1 0 353.850 2.935 20 5 FFBDRO CCOC(=O)N1CCC([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000850425868 749363548 /nfs/dbraw/zinc/36/35/48/749363548.db2.gz UZELKWVBANSMNG-GFCCVEGCSA-N 1 0 351.403 2.875 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)c(N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c(Cl)c1 ZINC000853965829 750211307 /nfs/dbraw/zinc/21/13/07/750211307.db2.gz MKIQATMVLPSYNK-GFCCVEGCSA-N 1 0 360.241 2.937 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000854334008 750284716 /nfs/dbraw/zinc/28/47/16/750284716.db2.gz YXLWHOYXPZSXFD-AWEZNQCLSA-N 1 0 367.833 2.575 20 5 FFBDRO Nc1ccc([N+](=O)[O-])c(NCC2(O)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000840376658 971183794 /nfs/dbraw/zinc/18/37/94/971183794.db2.gz IGOKPCWUWGNAAR-UHFFFAOYSA-N 1 0 356.426 2.616 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000896736038 971683661 /nfs/dbraw/zinc/68/36/61/971683661.db2.gz RHCCTQBCSPEDPM-QGZVFWFLSA-N 1 0 361.442 2.837 20 5 FFBDRO O=C(C[N@@H+]1CCC[C@@H](OC2CCC2)CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000872280601 1013198412 /nfs/dbraw/zinc/19/84/12/1013198412.db2.gz RYLIQYQUHPMEGT-GOSISDBHSA-N 1 0 373.453 2.908 20 5 FFBDRO COCCCN(C(=O)c1c(C)c(C)ccc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000891030289 961647232 /nfs/dbraw/zinc/64/72/32/961647232.db2.gz RBQICUSAJBLSOI-UHFFFAOYSA-N 1 0 363.458 2.785 20 5 FFBDRO Cc1c(C[NH2+][C@@H](C)Cn2ncc3ccccc3c2=O)cccc1[N+](=O)[O-] ZINC000873097094 1013385257 /nfs/dbraw/zinc/38/52/57/1013385257.db2.gz GNAVNGUPBAFALZ-ZDUSSCGKSA-N 1 0 352.394 2.791 20 5 FFBDRO Cc1c(C[NH2+][C@@H]2CCCN(Cc3ccccn3)C2=O)cccc1[N+](=O)[O-] ZINC000873103611 1013386767 /nfs/dbraw/zinc/38/67/67/1013386767.db2.gz CZVBQGCFCMIZDV-QGZVFWFLSA-N 1 0 354.410 2.579 20 5 FFBDRO Cc1c(NC(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)cc([N+](=O)[O-])cc1C(F)(F)F ZINC000933346760 964086830 /nfs/dbraw/zinc/08/68/30/964086830.db2.gz YQPRFUNAYDVLFA-PHIMTYICSA-N 1 0 372.347 2.947 20 5 FFBDRO O=[N+]([O-])c1ccc(OCCC[NH+]2CCN(Cc3ccc(O)cc3)CC2)cc1 ZINC001175533562 1013501294 /nfs/dbraw/zinc/50/12/94/1013501294.db2.gz ZMHORIFCBKIQJS-UHFFFAOYSA-N 1 0 371.437 2.887 20 5 FFBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@H]1CCCCC12CC[NH2+]CC2 ZINC000891723035 964959286 /nfs/dbraw/zinc/95/92/86/964959286.db2.gz MGGPEQBMQHWSOK-KRWDZBQOSA-N 1 0 360.458 2.749 20 5 FFBDRO C[N@H+](CCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)C1CCCC1 ZINC000729438040 965315799 /nfs/dbraw/zinc/31/57/99/965315799.db2.gz ABABCIYWVSWTKF-UHFFFAOYSA-N 1 0 360.458 2.799 20 5 FFBDRO COc1cc2c(cc1O)CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C2 ZINC001176192959 1013646547 /nfs/dbraw/zinc/64/65/47/1013646547.db2.gz HCGLSBYCNBARSK-UHFFFAOYSA-N 1 0 371.393 2.696 20 5 FFBDRO Cc1nccn1CCCC(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000101949762 966471870 /nfs/dbraw/zinc/47/18/70/966471870.db2.gz KUPNMIGGAUZISR-UHFFFAOYSA-N 1 0 354.370 2.909 20 5 FFBDRO Cc1c([N+](=O)[O-])cc(C(=O)NCCC[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000061241383 967056020 /nfs/dbraw/zinc/05/60/20/967056020.db2.gz RWRPQUSZDBYOGD-UHFFFAOYSA-N 1 0 364.402 2.663 20 5 FFBDRO Cc1cc(C(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)c(N)c([N+](=O)[O-])c1 ZINC000729525367 967667025 /nfs/dbraw/zinc/66/70/25/967667025.db2.gz HWGFHDWPSWCYJI-OKILXGFUSA-N 1 0 362.474 2.972 20 5 FFBDRO O=[N+]([O-])c1cc(O[C@@H]2CCC[NH2+]C[C@H]2F)c(F)cc1Br ZINC001217947307 969189694 /nfs/dbraw/zinc/18/96/94/969189694.db2.gz ILNZMYCJYUANEJ-MWLCHTKSSA-N 1 0 351.147 2.965 20 5 FFBDRO Cc1ccc(CNC(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000892537462 969401251 /nfs/dbraw/zinc/40/12/51/969401251.db2.gz VLQQAUWAUGNIGZ-DLBZAZTESA-N 1 0 360.458 2.824 20 5 FFBDRO O=C(Cn1ccc([N+](=O)[O-])n1)OCc1cccc(C[NH+]2CCCCC2)c1 ZINC000840215570 970715305 /nfs/dbraw/zinc/71/53/05/970715305.db2.gz QRWKQKDNLDMEOD-UHFFFAOYSA-N 1 0 358.398 2.521 20 5 FFBDRO Cc1nn(C)c(C(=O)OCc2cccc(C[NH+]3CCCCC3)c2)c1[N+](=O)[O-] ZINC000840219600 970755754 /nfs/dbraw/zinc/75/57/54/970755754.db2.gz XNKHTORCYYTXJW-UHFFFAOYSA-N 1 0 372.425 2.980 20 5 FFBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH+]2CCC3(CC2)C[C@H](O)CCO3)c1 ZINC000897261773 973670592 /nfs/dbraw/zinc/67/05/92/973670592.db2.gz NHGNCKQCXBOVQB-CQSZACIVSA-N 1 0 372.368 2.702 20 5 FFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[N@H+](Cc2ccc3ccccc3c2)CC1 ZINC000981138621 976263309 /nfs/dbraw/zinc/26/33/09/976263309.db2.gz WEJZANDNAKSACJ-RTBURBONSA-N 1 0 353.422 2.539 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)n1 ZINC001126869300 976429367 /nfs/dbraw/zinc/42/93/67/976429367.db2.gz PZRXFPYNLMXDDI-HNNXBMFYSA-N 1 0 356.426 2.939 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000843802940 976844483 /nfs/dbraw/zinc/84/44/83/976844483.db2.gz FQTVCTTYZMLAIH-BXUZGUMPSA-N 1 0 364.402 2.756 20 5 FFBDRO Cc1c([N+](=O)[O-])cc(C(=O)NCCC[NH2+]C2CCCCC2)cc1[N+](=O)[O-] ZINC000842234233 976952922 /nfs/dbraw/zinc/95/29/22/976952922.db2.gz PPFMYJXKZQZUEC-UHFFFAOYSA-N 1 0 364.402 2.854 20 5 FFBDRO C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000899808709 977343888 /nfs/dbraw/zinc/34/38/88/977343888.db2.gz ICCWPKNMKIXGBT-ZDUSSCGKSA-N 1 0 365.393 2.822 20 5 FFBDRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000899814637 977345972 /nfs/dbraw/zinc/34/59/72/977345972.db2.gz IPLNXYRPAZHBOV-CYBMUJFWSA-N 1 0 365.393 2.822 20 5 FFBDRO Cc1c(C(=O)NCC[N@H+]2CCC[C@@H](C)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000126245578 1014431197 /nfs/dbraw/zinc/43/11/97/1014431197.db2.gz WLOIEUPIRRVJOR-LLVKDONJSA-N 1 0 364.402 2.582 20 5 FFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@H](Cn3cccn3)c3ccccc3)C2)c1 ZINC000877057968 1014463546 /nfs/dbraw/zinc/46/35/46/1014463546.db2.gz BKGQUADWDCXVFU-LEOMRAHMSA-N 1 0 352.398 2.722 20 5 FFBDRO COc1ccc(OC)c(CCC[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)c1 ZINC000877127723 1014481865 /nfs/dbraw/zinc/48/18/65/1014481865.db2.gz ALQOOWUJRWCYFA-UHFFFAOYSA-N 1 0 360.414 2.734 20 5 FFBDRO CCOc1cnc(N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C)c([N+](=O)[O-])c1 ZINC001167947151 978511332 /nfs/dbraw/zinc/51/13/32/978511332.db2.gz JTDZZUYQPOSALL-ZDUSSCGKSA-N 1 0 368.434 2.640 20 5 FFBDRO Cc1ccc(CNC(=O)C2(c3ccccc3)CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000877241815 1014524750 /nfs/dbraw/zinc/52/47/50/1014524750.db2.gz VKCZVQRUNDHQKR-UHFFFAOYSA-N 1 0 353.422 2.841 20 5 FFBDRO C[C@@](CO)([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C1CCCCC1 ZINC000128697894 979639307 /nfs/dbraw/zinc/63/93/07/979639307.db2.gz QEQHEKPXKBKFPJ-SFHVURJKSA-N 1 0 367.421 2.983 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCc2c(CC(N)=O)cccc2C1 ZINC000877679052 1014673285 /nfs/dbraw/zinc/67/32/85/1014673285.db2.gz XVJIXPDUGZFCHZ-UHFFFAOYSA-N 1 0 353.422 2.798 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@@H]3CCC34CCOCC4)CC2)cn1 ZINC000877729085 1014700835 /nfs/dbraw/zinc/70/08/35/1014700835.db2.gz XAHHMIULSMQWHO-HNNXBMFYSA-N 1 0 360.458 2.755 20 5 FFBDRO O=C([C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000906637060 981107147 /nfs/dbraw/zinc/10/71/47/981107147.db2.gz XVLSOHZMIRMXND-YTQUADARSA-N 1 0 357.454 2.937 20 5 FFBDRO COC(=O)CCn1nc(C)c(C[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])c1C ZINC000897464213 981128330 /nfs/dbraw/zinc/12/83/30/981128330.db2.gz FKNAZQPSFMSEEH-ZDUSSCGKSA-N 1 0 374.441 2.865 20 5 FFBDRO O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000908249042 981399881 /nfs/dbraw/zinc/39/98/81/981399881.db2.gz JVEDGUKYRDHJTM-RDTXWAMCSA-N 1 0 356.426 2.752 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000877903264 1014760587 /nfs/dbraw/zinc/76/05/87/1014760587.db2.gz NSZWWBYAMIZGJX-OAHLLOKOSA-N 1 0 362.430 2.668 20 5 FFBDRO CC[N@@H+]1CCCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000910296443 981902844 /nfs/dbraw/zinc/90/28/44/981902844.db2.gz MXOPPDIBNKYPIX-HNNXBMFYSA-N 1 0 360.458 2.751 20 5 FFBDRO CC[NH+](CC)C[C@@H]1CCN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000878148513 1014884292 /nfs/dbraw/zinc/88/42/92/1014884292.db2.gz OJYIQHLLRFLOQM-AWEZNQCLSA-N 1 0 359.430 2.809 20 5 FFBDRO Cc1nn(C[N@H+]2CC[C@H](Cc3cnn(C)c3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000765055869 984947888 /nfs/dbraw/zinc/94/78/88/984947888.db2.gz PYDSQYZBTMVBRQ-CQSZACIVSA-N 1 0 354.414 2.509 20 5 FFBDRO Cc1nn(CN2CC[C@@H](C[N@H+](C)CC3CC3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000765057908 984954558 /nfs/dbraw/zinc/95/45/58/984954558.db2.gz SCWBKGTXMPWFJL-INIZCTEOSA-N 1 0 357.458 2.874 20 5 FFBDRO O=C(CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)Nc1ccccn1 ZINC000765405618 985075614 /nfs/dbraw/zinc/07/56/14/985075614.db2.gz ZBIXFZUAFXBSPG-UHFFFAOYSA-N 1 0 369.425 2.577 20 5 FFBDRO C[C@H]1CN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)CC[N@@H+](C2CCC2)C1 ZINC000878644459 1015149471 /nfs/dbraw/zinc/14/94/71/1015149471.db2.gz WGXUECHHPIZZKG-AWEZNQCLSA-N 1 0 371.441 2.951 20 5 FFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(C[NH2+]Cc2cccc(C(F)F)c2)CC1 ZINC000997772236 985732660 /nfs/dbraw/zinc/73/26/60/985732660.db2.gz MQULXZTYQYZCTC-HZPDHXFCSA-N 1 0 367.396 2.618 20 5 FFBDRO O=C(NC12CC[NH+](CC1)C2)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000913625539 986776186 /nfs/dbraw/zinc/77/61/86/986776186.db2.gz UCECOWVMRMGRAD-UHFFFAOYSA-N 1 0 366.421 2.785 20 5 FFBDRO COC(=O)Cc1ccccc1C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000132213175 987666362 /nfs/dbraw/zinc/66/63/62/987666362.db2.gz MLPIJWOZPUPTJW-UHFFFAOYSA-N 1 0 369.421 2.633 20 5 FFBDRO [NH3+]CCc1nc(-c2ccccc2)nn1-c1nccc2c1cccc2[N+](=O)[O-] ZINC001168706084 987883886 /nfs/dbraw/zinc/88/38/86/987883886.db2.gz FJTVTUPFEUMXTJ-UHFFFAOYSA-N 1 0 360.377 2.892 20 5 FFBDRO O=C(c1cc2ccccc2c2cccnc12)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000673514242 988432987 /nfs/dbraw/zinc/43/29/87/988432987.db2.gz LVZDMHZMZZYRKR-SJORKVTESA-N 1 0 361.445 2.669 20 5 FFBDRO C[NH+]1CCC2(CC1)CC[NH+](Cc1nc(-c3ccc([N+](=O)[O-])cc3)no1)CC2 ZINC000879249103 1015436970 /nfs/dbraw/zinc/43/69/70/1015436970.db2.gz FBPVEFGVGSBKHP-UHFFFAOYSA-N 1 0 371.441 2.953 20 5 FFBDRO CC(C)C[N@@H+]1CCO[C@H](COC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000919212895 990590806 /nfs/dbraw/zinc/59/08/06/990590806.db2.gz YROSITJGURJSHY-HNNXBMFYSA-N 1 0 362.382 2.855 20 5 FFBDRO COc1cccc(C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)c1[N+](=O)[O-] ZINC000195335757 990851889 /nfs/dbraw/zinc/85/18/89/990851889.db2.gz ZMEPVQLSAMGHKY-OAHLLOKOSA-N 1 0 361.373 2.775 20 5 FFBDRO COc1cc(CN2CC[C@@]3(C2)CCCC[NH2+]3)c([N+](=O)[O-])cc1OC(F)F ZINC000923539432 991226207 /nfs/dbraw/zinc/22/62/07/991226207.db2.gz OVDQFZBCIBYSTJ-QGZVFWFLSA-N 1 0 371.384 2.923 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2Cc3cccnc3N3CCC[C@H]3C2)c1 ZINC000879690597 1015641766 /nfs/dbraw/zinc/64/17/66/1015641766.db2.gz AKUMZQADNZFROG-ZWKOTPCHSA-N 1 0 354.410 2.508 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2Cc3cccnc3N3CCC[C@H]3C2)cc1 ZINC000879691108 1015641906 /nfs/dbraw/zinc/64/19/06/1015641906.db2.gz OOAYYCKZDCNQRJ-ROUUACIJSA-N 1 0 354.410 2.508 20 5 FFBDRO COc1cc(CN2CC[C@H]3[C@@H]2CCC[N@@H+]3C)c([N+](=O)[O-])cc1OC(F)F ZINC000880133374 1015763985 /nfs/dbraw/zinc/76/39/85/1015763985.db2.gz SXMQCEWTGSBQJW-STQMWFEESA-N 1 0 371.384 2.873 20 5 FFBDRO O=[N+]([O-])c1cc(CN2C[C@@H]3C[C@H]2CN3c2ccccc2)c2c(c1)COCO2 ZINC000880190690 1015778100 /nfs/dbraw/zinc/77/81/00/1015778100.db2.gz HXYRMIXFKAXSMO-OALUTQOASA-N 1 0 367.405 2.924 20 5 FFBDRO O=C(O[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000810852790 994959103 /nfs/dbraw/zinc/95/91/03/994959103.db2.gz RBAKROBBZNQHAC-IAGOWNOFSA-N 1 0 356.382 2.564 20 5 FFBDRO C[C@@H]1C[C@H](NC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)C[N@@H+]1Cc1ccccc1 ZINC000823981539 996772255 /nfs/dbraw/zinc/77/22/55/996772255.db2.gz ZLFFQTLOWCSMEM-CJNGLKHVSA-N 1 0 369.425 2.962 20 5 FFBDRO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000823990008 996773039 /nfs/dbraw/zinc/77/30/39/996773039.db2.gz GAUQQLSNMNVWAT-OALUTQOASA-N 1 0 369.421 2.582 20 5 FFBDRO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2C(=O)c1cc([N+](=O)[O-])cn1C ZINC000824415867 996948159 /nfs/dbraw/zinc/94/81/59/996948159.db2.gz KUCZCSNEEFIHMB-DOTOQJQBSA-N 1 0 354.410 2.690 20 5 FFBDRO Cc1ccc(NCCCNC(=O)[C@@H]2CC[C@@H]3C[C@@H](C)C[N@H+]3C2)c([N+](=O)[O-])c1 ZINC001136872056 996951038 /nfs/dbraw/zinc/95/10/38/996951038.db2.gz BTOGJOAXKCVTBE-BRWVUGGUSA-N 1 0 374.485 2.942 20 5 FFBDRO C[NH+](C)CCOc1ccccc1CNC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000824664563 997041993 /nfs/dbraw/zinc/04/19/93/997041993.db2.gz YAPRYDOUFPLZRO-UHFFFAOYSA-N 1 0 361.373 2.604 20 5 FFBDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000825393750 997360185 /nfs/dbraw/zinc/36/01/85/997360185.db2.gz KOMGUPJLSRQRQR-VBQJREDUSA-N 1 0 363.458 2.501 20 5 FFBDRO CN(C)c1cc(F)c(C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000825504237 997404936 /nfs/dbraw/zinc/40/49/36/997404936.db2.gz UPKITQGRXHDDFI-ZDUSSCGKSA-N 1 0 364.421 2.500 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCc2ccc3c(c2)OC(F)(F)O3)cc1 ZINC000844280052 997761175 /nfs/dbraw/zinc/76/11/75/997761175.db2.gz UBAKVWZODRSETC-AWEZNQCLSA-N 1 0 366.320 2.782 20 5 FFBDRO C[NH+](C)CCN(CCc1ccccc1)C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000844333692 997791673 /nfs/dbraw/zinc/79/16/73/997791673.db2.gz PPZFOXSWGNXGFL-UHFFFAOYSA-N 1 0 373.428 2.909 20 5 FFBDRO O=C1N(CN2CCC3(CC3(F)F)CC2)CCN1c1ccccc1[N+](=O)[O-] ZINC000844729833 998129275 /nfs/dbraw/zinc/12/92/75/998129275.db2.gz UXZJGNUJMADFHG-UHFFFAOYSA-N 1 0 366.368 2.916 20 5 FFBDRO Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)O[C@@H](C)C[NH+]2CCCC2)c1 ZINC000845661077 998625624 /nfs/dbraw/zinc/62/56/24/998625624.db2.gz KPJFSDJTRDMGCY-HNNXBMFYSA-N 1 0 372.425 2.789 20 5 FFBDRO CC(C)[C@@H](C[NH+](C)C)NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000733169048 998905210 /nfs/dbraw/zinc/90/52/10/998905210.db2.gz YKDLTHCMBKHYHS-MRXNPFEDSA-N 1 0 362.474 2.514 20 5 FFBDRO CC[C@@H]1CCC[N@H+](CN2C(=O)N[C@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)CC1 ZINC000738252814 999623252 /nfs/dbraw/zinc/62/32/52/999623252.db2.gz CANVAJFKXRALLR-AUUYWEPGSA-N 1 0 374.441 2.831 20 5 FFBDRO COc1ccc([C@H]2[C@@H](COC(=O)c3ccc([N+](=O)[O-])n3C)CC[N@@H+]2C)cc1 ZINC000741120412 999709648 /nfs/dbraw/zinc/70/96/48/999709648.db2.gz GDBLFSODIDKNKH-KDOFPFPSSA-N 1 0 373.409 2.792 20 5 FFBDRO O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000742393133 999771914 /nfs/dbraw/zinc/77/19/14/999771914.db2.gz GOXLKEDIKRQJOB-UHFFFAOYSA-N 1 0 372.469 2.799 20 5 FFBDRO C[NH+](C)CCOc1cc(NCCC(=O)Nc2ccccc2)ccc1[N+](=O)[O-] ZINC001168980330 1000012447 /nfs/dbraw/zinc/01/24/47/1000012447.db2.gz CBQXYVUAKVLELA-UHFFFAOYSA-N 1 0 372.425 2.976 20 5 FFBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]C2CCN(Cc3c(F)cccc3F)CC2)C1 ZINC001168997421 1000014223 /nfs/dbraw/zinc/01/42/23/1000014223.db2.gz ZCLSUWRSTDPSHE-DZGCQCFKSA-N 1 0 353.413 2.964 20 5 FFBDRO CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169010596 1000015228 /nfs/dbraw/zinc/01/52/28/1000015228.db2.gz DYFIVXHWNHDCMB-JJXSEGSLSA-N 1 0 353.463 2.906 20 5 FFBDRO CC(C)(C)OC(=O)N1C[C@H]2CC[N@@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@@H]2C1 ZINC001169010589 1000015283 /nfs/dbraw/zinc/01/52/83/1000015283.db2.gz DVBRXITVXODCRJ-ZJIFWQFVSA-N 1 0 353.463 2.621 20 5 FFBDRO [NH3+]CCCCN=c1ccc(Br)cn1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168988435 1000015910 /nfs/dbraw/zinc/01/59/10/1000015910.db2.gz SFVRYCZTISZHEE-JSGCOSHPSA-N 1 0 371.279 2.508 20 5 FFBDRO CN1c2ccccc2C2(CC[NH+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)CC1=O ZINC001169018636 1000017319 /nfs/dbraw/zinc/01/73/19/1000017319.db2.gz BIWYMIWFVVGLKM-CVEARBPZSA-N 1 0 357.454 2.832 20 5 FFBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2CC[C@H]3O[C@H](COc4cccnc4)CC[C@H]32)C1 ZINC001169019194 1000017528 /nfs/dbraw/zinc/01/75/28/1000017528.db2.gz FJIHNJWRMDVLAJ-WAARBJQMSA-N 1 0 361.442 2.528 20 5 FFBDRO Cc1cccc(N2C[C@]3(CC[N@@H+]([C@H]4CC[C@H](C[N+](=O)[O-])C4)C3)CC2=O)c1 ZINC001169020002 1000017535 /nfs/dbraw/zinc/01/75/35/1000017535.db2.gz HMWCLFIDEQDHFD-ABSDTBQOSA-N 1 0 357.454 2.869 20 5 FFBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCO[C@H]3[C@H](OCC4CCCC4)CC[C@@H]32)C1 ZINC001169025136 1000018142 /nfs/dbraw/zinc/01/81/42/1000018142.db2.gz XUGAKPVNMMPPLI-UJWQCDCRSA-N 1 0 352.475 2.870 20 5 FFBDRO Cc1ccc(O[C@@H]2C[C@@H]3CN([C@@H]4CC[C@@H](C[N+](=O)[O-])C4)CC[N@@H+]3C2)cc1 ZINC001169026358 1000018156 /nfs/dbraw/zinc/01/81/56/1000018156.db2.gz LHCGIBCMNLZYTE-SOAMZJECSA-N 1 0 359.470 2.578 20 5 FFBDRO CCn1cc(C[N@H+](Cc2c(C)nn(C)c2C)[C@H]2CC[C@@H](C[N+](=O)[O-])C2)cn1 ZINC001169026335 1000018161 /nfs/dbraw/zinc/01/81/61/1000018161.db2.gz KYJPNWYJRCLXOU-AEFFLSMTSA-N 1 0 374.489 2.701 20 5 FFBDRO CN1Cc2ccccc2CC2(CC[NH+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)C1=O ZINC001169026485 1000018233 /nfs/dbraw/zinc/01/82/33/1000018233.db2.gz XOZUYPDHBNTMQT-APWZRJJASA-N 1 0 371.481 2.729 20 5 FFBDRO CCn1c2ccccc2nc1N1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169055343 1000018897 /nfs/dbraw/zinc/01/88/97/1000018897.db2.gz PSLBVGOXRRPZHC-HZPDHXFCSA-N 1 0 357.458 2.624 20 5 FFBDRO COc1ccc2c(c1)c(CC[NH3+])c(C)n2-c1nc(OC)ccc1[N+](=O)[O-] ZINC001169175706 1000030896 /nfs/dbraw/zinc/03/08/96/1000030896.db2.gz NTJXUELXANMNNE-UHFFFAOYSA-N 1 0 356.382 2.761 20 5 FFBDRO C[NH+](C)CCOc1cc(N[C@@H]2CCc3ccccc3[C@@H]2O)ccc1[N+](=O)[O-] ZINC001169625930 1000063709 /nfs/dbraw/zinc/06/37/09/1000063709.db2.gz DOLYQPSIDNKKHU-XLIONFOSSA-N 1 0 371.437 2.996 20 5 FFBDRO O=[N+]([O-])c1cccc([N+](=O)[O-])c1NC1CC[NH+](Cc2ccncc2)CC1 ZINC000804358910 1000130869 /nfs/dbraw/zinc/13/08/69/1000130869.db2.gz XEFIAHGGBOYZHJ-UHFFFAOYSA-N 1 0 357.370 2.975 20 5 FFBDRO C[C@H]([NH2+]C[C@]1(O)CCN(C(=O)OC(C)(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000846928498 1000480441 /nfs/dbraw/zinc/48/04/41/1000480441.db2.gz MCVLQODVVKXEBS-SCLBCKFNSA-N 1 0 365.430 2.617 20 5 FFBDRO CC(C)[N@H+](C[C@H](O)COc1ccccc1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000770038680 1000661192 /nfs/dbraw/zinc/66/11/92/1000661192.db2.gz DHTXGNQTYIEXOM-AZUAARDMSA-N 1 0 374.437 2.779 20 5 FFBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2[nH]nc([N+](=O)[O-])c2Cl)C1 ZINC001146934740 1000792184 /nfs/dbraw/zinc/79/21/84/1000792184.db2.gz PCTHUVBRMCBZAE-NEPJUHHUSA-N 1 0 369.853 2.698 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC001147493647 1000905196 /nfs/dbraw/zinc/90/51/96/1000905196.db2.gz FHABEAJJXGEPBL-WFASDCNBSA-N 1 0 353.850 2.979 20 5 FFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cccc2c1OCCO2 ZINC000772982560 1000913569 /nfs/dbraw/zinc/91/35/69/1000913569.db2.gz JPOBRSUPWVKNCQ-CYBMUJFWSA-N 1 0 371.393 2.873 20 5 FFBDRO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N)[C@@H](C)CN1Cc1ccccc1 ZINC000787194070 1001674375 /nfs/dbraw/zinc/67/43/75/1001674375.db2.gz ZBLYWHSTDNQAPE-GJZGRUSLSA-N 1 0 368.437 2.912 20 5 FFBDRO O=C(O[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000788116900 1001756852 /nfs/dbraw/zinc/75/68/52/1001756852.db2.gz LBHBSNCTCDNLNI-CVEARBPZSA-N 1 0 359.426 2.979 20 5 FFBDRO COc1cccc([C@H](O)C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000788431360 1001799143 /nfs/dbraw/zinc/79/91/43/1001799143.db2.gz SZBQYXYIVKMGDJ-IXDOHACOSA-N 1 0 360.414 2.607 20 5 FFBDRO CCOC(=O)c1cc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)on1 ZINC001183407032 1002257778 /nfs/dbraw/zinc/25/77/78/1002257778.db2.gz CXKHGZCMHAVRQT-UHFFFAOYSA-N 1 0 374.397 2.518 20 5 FFBDRO O=[N+]([O-])c1c(N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cccc1C(F)(F)F ZINC001185241250 1002880144 /nfs/dbraw/zinc/88/01/44/1002880144.db2.gz HIDRWIQJWIBJAU-TZMCWYRMSA-N 1 0 359.348 2.649 20 5 FFBDRO CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)O1 ZINC001170276354 1003084064 /nfs/dbraw/zinc/08/40/64/1003084064.db2.gz DEQXMXNVTFHXCN-MCIONIFRSA-N 1 0 363.336 2.750 20 5 FFBDRO CCOC(=O)[C@H]1CCC[C@@H]1[NH2+][C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170313353 1003104390 /nfs/dbraw/zinc/10/43/90/1003104390.db2.gz LSAJVTTZDUJGEJ-KCXAZCMYSA-N 1 0 350.415 2.856 20 5 FFBDRO COc1ccc(C[C@H](C)[NH2+]Cc2ccc(-n3cccn3)nc2)c([N+](=O)[O-])c1 ZINC001170313047 1003104811 /nfs/dbraw/zinc/10/48/11/1003104811.db2.gz JSMLJVDXYLWDBT-AWEZNQCLSA-N 1 0 367.409 2.905 20 5 FFBDRO COC(=O)C12CCC([NH2+][C@H](C)Cc3ccc(OC)cc3[N+](=O)[O-])(CC1)C2 ZINC001170326906 1003113287 /nfs/dbraw/zinc/11/32/87/1003113287.db2.gz PGJQZTWZVPKYBJ-XYJCDUHRSA-N 1 0 362.426 3.000 20 5 FFBDRO COC(=O)C[C@H]1CCC[N@@H+]([C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170352781 1003121787 /nfs/dbraw/zinc/12/17/87/1003121787.db2.gz QCYBNLMULHDCTR-UONOGXRCSA-N 1 0 350.415 2.810 20 5 FFBDRO COCCCC[NH+]1CCN([C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC001170355486 1003122684 /nfs/dbraw/zinc/12/26/84/1003122684.db2.gz GQBXMCBSTYIUIZ-INIZCTEOSA-N 1 0 365.474 2.579 20 5 FFBDRO COc1ccc(C[C@H](C)[N@@H+]2CC[C@@H](Oc3nccc(C)n3)C2)c([N+](=O)[O-])c1 ZINC001170356059 1003123320 /nfs/dbraw/zinc/12/33/20/1003123320.db2.gz VIMLCEKHFNDGGJ-WMLDXEAASA-N 1 0 372.425 2.786 20 5 FFBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N1C[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC001129932747 1003826428 /nfs/dbraw/zinc/82/64/28/1003826428.db2.gz FPBOKUPDEZHOFZ-QUCCMNQESA-N 1 0 365.433 2.870 20 5 FFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H](Cn2ccnc2)c2ccccc2)c1 ZINC001197265473 1004147417 /nfs/dbraw/zinc/14/74/17/1004147417.db2.gz SJEKDHVXCOSTDL-OALUTQOASA-N 1 0 352.394 2.856 20 5 FFBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1[N+](=O)[O-] ZINC000775549778 1004291894 /nfs/dbraw/zinc/29/18/94/1004291894.db2.gz SNILJWCBVCYYIB-NSHDSACASA-N 1 0 369.381 2.774 20 5 FFBDRO 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C[C@@H]1CN(C(=O)c2cc(F)c([N+](=O)[O-])cc2F)CCN1c1cc[nH+]cc1 ZINC000881637360 1006167973 /nfs/dbraw/zinc/16/79/73/1006167973.db2.gz YIUCFILZARYGIS-LLVKDONJSA-N 1 0 362.336 2.619 20 5 FFBDRO COc1cccc(C[NH+]2CCC(Nc3cc[nH]c(=O)c3[N+](=O)[O-])CC2)c1 ZINC000853204352 1006331816 /nfs/dbraw/zinc/33/18/16/1006331816.db2.gz WYAZMWRBUUTJTJ-UHFFFAOYSA-N 1 0 358.398 2.781 20 5 FFBDRO CC(C)(O)C[N@@H+]1CCc2c(cccc2Nc2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000853475922 1006403294 /nfs/dbraw/zinc/40/32/94/1006403294.db2.gz ANQDBBKHHMGRLL-UHFFFAOYSA-N 1 0 358.398 2.568 20 5 FFBDRO O=[N+]([O-])c1cn(C[N@@H+]2CC[C@H](C3CCOCC3)C2)nc1-c1ccccn1 ZINC000853505255 1006418739 /nfs/dbraw/zinc/41/87/39/1006418739.db2.gz UBXHSWNEROHJGU-HNNXBMFYSA-N 1 0 357.414 2.559 20 5 FFBDRO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000814909251 1006462878 /nfs/dbraw/zinc/46/28/78/1006462878.db2.gz JIYFWEKAHGCOFO-GOSISDBHSA-N 1 0 365.405 2.833 20 5 FFBDRO CC(C)Oc1nc(N2CCC[C@@H]([NH2+]C3CCOCC3)C2)ccc1[N+](=O)[O-] 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2.665 20 5 FFBDRO O=C(N1CCC([C@H]2CCC[NH2+]2)CC1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857763333 1008204025 /nfs/dbraw/zinc/20/40/25/1008204025.db2.gz XTMXNFPLEHMZKQ-OAHLLOKOSA-N 1 0 369.368 2.557 20 5 FFBDRO C[N@@H+]1CCCN(CCCNC(=O)c2cc([N+](=O)[O-])cc3ccccc32)CC1 ZINC000859364012 1008507328 /nfs/dbraw/zinc/50/73/28/1008507328.db2.gz DXUHFNYHIVHZFF-UHFFFAOYSA-N 1 0 370.453 2.505 20 5 FFBDRO Cc1c(C[NH2+]CCCN2C(=O)NC3(CCCCC3)C2=O)cccc1[N+](=O)[O-] ZINC001177213926 1008519176 /nfs/dbraw/zinc/51/91/76/1008519176.db2.gz SVJVXPDVOURYDA-UHFFFAOYSA-N 1 0 374.441 2.638 20 5 FFBDRO Nc1c(Cl)cc(C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC001136579634 1008602831 /nfs/dbraw/zinc/60/28/31/1008602831.db2.gz ZPRRUOQWAACMSS-CYBMUJFWSA-N 1 0 366.849 2.921 20 5 FFBDRO O=[N+]([O-])c1ncccc1C[NH2+][C@H](c1ccccc1)C1(CO)CCOCC1 ZINC000886247246 1008609957 /nfs/dbraw/zinc/60/99/57/1008609957.db2.gz LFGJPTWNFNRBKQ-QGZVFWFLSA-N 1 0 357.410 2.610 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCCNC(=O)OC(C)(C)C ZINC001177718684 1008726405 /nfs/dbraw/zinc/72/64/05/1008726405.db2.gz GMAXBGSVZGPLLM-UHFFFAOYSA-N 1 0 353.419 2.998 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(CN2CCC[C@@H](c3ncccn3)C2)c1 ZINC000886690605 1008824939 /nfs/dbraw/zinc/82/49/39/1008824939.db2.gz YUFDGIPFLDSHOU-CQSZACIVSA-N 1 0 356.382 2.551 20 5 FFBDRO CC[NH+](CC)CCCOC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1 ZINC000860287143 1008932461 /nfs/dbraw/zinc/93/24/61/1008932461.db2.gz AYACWRGRWBZKLZ-UHFFFAOYSA-N 1 0 364.377 2.808 20 5 FFBDRO Cc1cc(C[NH2+]CCCCCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c(C)s1 ZINC001178449715 1008979707 /nfs/dbraw/zinc/97/97/07/1008979707.db2.gz FFVZBIFWQMLNLJ-HZPDHXFCSA-N 1 0 353.488 2.796 20 5 FFBDRO O=C(NCCCCCC[NH2+]Cc1ccc(CF)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001178458452 1008994982 /nfs/dbraw/zinc/99/49/82/1008994982.db2.gz HUMWFQLOHSLMFT-IAGOWNOFSA-N 1 0 351.422 2.588 20 5 FFBDRO O=C(O[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1 ZINC000860739197 1009132525 /nfs/dbraw/zinc/13/25/25/1009132525.db2.gz ILPHLSAGRXAOBF-GXTWGEPZSA-N 1 0 374.372 2.703 20 5 FFBDRO COc1ccc([C@H]2C[NH2+]CCN2C(=O)Nc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000887401741 1009195210 /nfs/dbraw/zinc/19/52/10/1009195210.db2.gz FEYGVCFBPLAFQD-QGZVFWFLSA-N 1 0 374.372 2.921 20 5 FFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)OC[C@@]1(C)C[C@H](OC)C[N@@H+]1C ZINC000861348299 1009366382 /nfs/dbraw/zinc/36/63/82/1009366382.db2.gz NZBJXQKSXAWCAH-HHXXYDBFSA-N 1 0 364.442 2.816 20 5 FFBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000862631806 1009911560 /nfs/dbraw/zinc/91/15/60/1009911560.db2.gz VTTPFVPFLPRDRA-INIZCTEOSA-N 1 0 360.458 2.798 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCC([NH2+]C2CCC2)CC1 ZINC000889829052 1010143030 /nfs/dbraw/zinc/14/30/30/1010143030.db2.gz HOCAPJJYEDFTGY-UHFFFAOYSA-N 1 0 354.410 2.890 20 5 FFBDRO CC(C)(CN1C(=O)N[C@](C)(c2cccc([N+](=O)[O-])c2)C1=O)[NH+]1CCCCC1 ZINC000863499804 1010227117 /nfs/dbraw/zinc/22/71/17/1010227117.db2.gz IIVONNLSAULXDA-LJQANCHMSA-N 1 0 374.441 2.626 20 5 FFBDRO CN(CC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)C(=O)OC(C)(C)C ZINC000774168023 1010498253 /nfs/dbraw/zinc/49/82/53/1010498253.db2.gz FKZLJYPEORUNIX-KBPBESRZSA-N 1 0 367.450 2.732 20 5 FFBDRO C[NH+]1CCC2(CCN(c3ccc([N+](=O)[O-])cc3N3CCOC3=O)CC2)CC1 ZINC000866054753 1010918232 /nfs/dbraw/zinc/91/82/32/1010918232.db2.gz IKWTWBYKTWJCHU-UHFFFAOYSA-N 1 0 374.441 2.864 20 5 FFBDRO Cc1nn(C[N@@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000773262177 1010946360 /nfs/dbraw/zinc/94/63/60/1010946360.db2.gz OCKFNFXBKXTPDA-LSDHHAIUSA-N 1 0 359.430 2.744 20 5 FFBDRO Cc1cc(N2CCC([NH+]3CCN(C)CC3)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000866213466 1010953018 /nfs/dbraw/zinc/95/30/18/1010953018.db2.gz VNCOONXIOIGKNP-UHFFFAOYSA-N 1 0 369.469 2.668 20 5 FFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H](CO)C[C@H](O)c1ccccc1 ZINC000866311553 1010974987 /nfs/dbraw/zinc/97/49/87/1010974987.db2.gz SMHQSEPDBQBASS-FMEYXAORSA-N 1 0 362.401 2.739 20 5 FFBDRO C[NH+](C)C[C@H](NC(=O)Cc1cccc(F)c1[N+](=O)[O-])c1ccc(F)cc1 ZINC000868346581 1011258522 /nfs/dbraw/zinc/25/85/22/1011258522.db2.gz FCWBKDMLYMYOOM-INIZCTEOSA-N 1 0 363.364 2.835 20 5 FFBDRO C[C@@H]1CC[C@@H](C(N)=O)[C@H](C)[N@@H+]1Cc1cccc([N+](=O)[O-])c1Br ZINC001171598184 1011396081 /nfs/dbraw/zinc/39/60/81/1011396081.db2.gz CIHNGXZTLHVDGV-JFGNBEQYSA-N 1 0 370.247 2.832 20 5 FFBDRO CN(C)C(=O)N1CCC[C@@H]([NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172903563 1012077620 /nfs/dbraw/zinc/07/76/20/1012077620.db2.gz RFKIFYWANPBNJM-DLBZAZTESA-N 1 0 360.458 2.578 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH+]1CC(N3CCC(F)(F)C3)C1)CC2 ZINC001172915119 1012098431 /nfs/dbraw/zinc/09/84/31/1012098431.db2.gz LLTQMKIDCYSMBT-HNNXBMFYSA-N 1 0 351.397 2.867 20 5 FFBDRO CN1CCC2(CC[NH+]([C@H]3CCc4ccc([N+](=O)[O-])cc4CC3)CC2)C1=O ZINC001172921390 1012101505 /nfs/dbraw/zinc/10/15/05/1012101505.db2.gz PRPSJWMOQGUNCE-KRWDZBQOSA-N 1 0 357.454 2.787 20 5 FFBDRO Nc1cccnc1N1CC[NH+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172922465 1012101651 /nfs/dbraw/zinc/10/16/51/1012101651.db2.gz XPMQNTPNHMXECH-QGZVFWFLSA-N 1 0 367.453 2.642 20 5 FFBDRO Cn1cnnc1C1CC[NH+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172919163 1012101782 /nfs/dbraw/zinc/10/17/82/1012101782.db2.gz FCVKTLMQRTTXLW-KRWDZBQOSA-N 1 0 355.442 2.850 20 5 FFBDRO Cc1ccnc(N2CC[NH+]([C@@H]3CCc4ccc([N+](=O)[O-])cc4CC3)CC2)n1 ZINC001172911408 1012123780 /nfs/dbraw/zinc/12/37/80/1012123780.db2.gz BHLBSRFLDDDBSX-GOSISDBHSA-N 1 0 367.453 2.763 20 5 FFBDRO C[C@H]([NH3+])c1ccn(C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)n1 ZINC001173008047 1012176662 /nfs/dbraw/zinc/17/66/62/1012176662.db2.gz KSHJYLSAHPVJAR-JTQLQIEISA-N 1 0 351.357 2.931 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(N2CCC([N@@H+]3CC[C@@H](O)[C@@H](F)CC3)CC2)c(F)c1 ZINC001173010153 1012179597 /nfs/dbraw/zinc/17/95/97/1012179597.db2.gz NCXLQIAVZKAYIZ-XJKSGUPXSA-N 1 0 373.375 2.637 20 5 FFBDRO Cc1cc(C[NH2+]C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)nn1C ZINC001173011828 1012182052 /nfs/dbraw/zinc/18/20/52/1012182052.db2.gz LDFUOXQLHGBQTK-UHFFFAOYSA-N 1 0 365.384 2.674 20 5 FFBDRO Cc1nccnc1C[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173013152 1012184564 /nfs/dbraw/zinc/18/45/64/1012184564.db2.gz PMDZLDSKHUVYOP-UHFFFAOYSA-N 1 0 363.368 2.730 20 5 FFBDRO C[C@H]([NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1)[C@@H]1CCCO1 ZINC001173014621 1012187078 /nfs/dbraw/zinc/18/70/78/1012187078.db2.gz VAGAPNCAGRSWQL-ZBEGNZNMSA-N 1 0 355.385 2.999 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]Cc2cn(CCF)cn2)c1F ZINC001173177812 1012318848 /nfs/dbraw/zinc/31/88/48/1012318848.db2.gz DVYDFCGRDLJWTH-LLVKDONJSA-N 1 0 354.357 2.629 20 5 FFBDRO COC(=O)[C@@H]1CCC[N@@H+]([C@@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C1 ZINC001173185910 1012329022 /nfs/dbraw/zinc/32/90/22/1012329022.db2.gz QAQJIZYDRHVNLA-NWDGAFQWSA-N 1 0 354.378 2.559 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH+]2CCC3(CCC(=O)O3)CC2)c1F ZINC001173190991 1012332779 /nfs/dbraw/zinc/33/27/79/1012332779.db2.gz ZEMSLWBAZAAKSM-LBPRGKRZSA-N 1 0 366.389 2.845 20 5 FFBDRO COC(=O)[C@@H]1CCC[N@H+]([C@@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])[C@@H]1C ZINC001173192226 1012335479 /nfs/dbraw/zinc/33/54/79/1012335479.db2.gz JUEOHMNMIDBDAF-YNEHKIRRSA-N 1 0 368.405 2.947 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CCC([NH+]3CCC3)CC2)c1F ZINC001173194421 1012338889 /nfs/dbraw/zinc/33/88/89/1012338889.db2.gz VJVNZSULFBMWON-ZDUSSCGKSA-N 1 0 351.422 2.844 20 5 FFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCc2onc(Cn3cccn3)c2C1 ZINC001173226905 1012362554 /nfs/dbraw/zinc/36/25/54/1012362554.db2.gz MQAYCGIESCCJMN-AWEZNQCLSA-N 1 0 367.409 2.817 20 5 FFBDRO COc1ccnc(O[C@@H]2CCC[N@@H+]([C@H](C)Cc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC001173237403 1012381367 /nfs/dbraw/zinc/38/13/67/1012381367.db2.gz JCIWXWOGPJNBGO-RHSMWYFYSA-N 1 0 372.425 2.868 20 5 FFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](NC(=O)c2ccncc2)C1 ZINC001173237466 1012385921 /nfs/dbraw/zinc/38/59/21/1012385921.db2.gz KEAVDFVCISQGHM-CRAIPNDOSA-N 1 0 368.437 2.815 20 5 FFBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)OC[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC000870734083 1012542855 /nfs/dbraw/zinc/54/28/55/1012542855.db2.gz YRHDYMNNNRWRIE-MRXNPFEDSA-N 1 0 364.446 2.830 20 5 FFBDRO C[C@H](c1ccccc1)[C@H](O)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000827309961 1017568721 /nfs/dbraw/zinc/56/87/21/1017568721.db2.gz IRSNTAZPTHLXFA-OXQOHEQNSA-N 1 0 355.438 2.881 20 5 FFBDRO CCc1ccc([C@@H]([NH2+]CC[C@@H]2CNC(=O)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000926978609 1018310643 /nfs/dbraw/zinc/31/06/43/1018310643.db2.gz IGJDCWUWCPCISZ-DJJJIMSYSA-N 1 0 357.410 2.955 20 5 FFBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@@H]1CCN1C1CCOCC1)C1CC1 ZINC000927108368 1018368757 /nfs/dbraw/zinc/36/87/57/1018368757.db2.gz ITCFXKPYWQXUKK-RBUKOAKNSA-N 1 0 359.470 2.759 20 5 FFBDRO COC(=O)Cc1ccc(N2CCC[N@@H+](C3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000827655266 1018592312 /nfs/dbraw/zinc/59/23/12/1018592312.db2.gz RBMHNAHQCSHAFU-UHFFFAOYSA-N 1 0 361.442 2.765 20 5 FFBDRO COc1cc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)ccc1OCCO ZINC000801527142 1019078045 /nfs/dbraw/zinc/07/80/45/1019078045.db2.gz CJOQWHNLYLKBBE-LBPRGKRZSA-N 1 0 364.373 2.964 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H]1CCc2ccccc2OC1 ZINC000801571452 1019127795 /nfs/dbraw/zinc/12/77/95/1019127795.db2.gz TXIZHNYDQCYJDN-OAHLLOKOSA-N 1 0 355.394 2.825 20 5 FFBDRO C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)C[N@@H+]1Cc1ccccc1 ZINC000801921037 1019513844 /nfs/dbraw/zinc/51/38/44/1019513844.db2.gz WONIHUNTUVTPNN-OCCSQVGLSA-N 1 0 372.400 2.709 20 5 FFBDRO CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[NH+](Cc2ccccc2C2CC2)CC1 ZINC001045437672 1019967047 /nfs/dbraw/zinc/96/70/47/1019967047.db2.gz YEMIUNSMPMGGEN-QZTJIDSGSA-N 1 0 357.454 2.700 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CCc3cccc4cccc2c43)c1 ZINC000931810609 1020596154 /nfs/dbraw/zinc/59/61/54/1020596154.db2.gz OOZVWZMDZZAVLK-SJLPKXTDSA-N 1 0 352.394 2.583 20 5 FFBDRO Cn1ccc([C@@H]2CCC[N@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)n1 ZINC000932140144 1020720193 /nfs/dbraw/zinc/72/01/93/1020720193.db2.gz WMJFJQLUBDBIFL-CYBMUJFWSA-N 1 0 358.398 2.574 20 5 FFBDRO COc1cc([C@H](C)[NH2+][C@@H]2CCC[C@@H]3CN(C(C)=O)C[C@H]32)cc([N+](=O)[O-])c1 ZINC000903172243 1020722686 /nfs/dbraw/zinc/72/26/86/1020722686.db2.gz OUFHDQLQEPLILC-MQRGZFNUSA-N 1 0 361.442 2.901 20 5 FFBDRO COc1cc([C@H](C)[NH2+][C@@H]2CCO[C@@H](c3nccn3C)C2)cc([N+](=O)[O-])c1 ZINC000903183674 1020728433 /nfs/dbraw/zinc/72/84/33/1020728433.db2.gz PVQWLOODRFVPNG-DXCKQFNASA-N 1 0 360.414 2.908 20 5 FFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]C[C@@]2(c3ccccc3)C[C@@H](O)C2)n1 ZINC000903271843 1020772176 /nfs/dbraw/zinc/77/21/76/1020772176.db2.gz PCERYSMJUJWLCC-FTEYMNFISA-N 1 0 370.453 2.957 20 5 FFBDRO O=[N+]([O-])c1cccc(I)c1O[C@H]1CCCC[NH2+]C1 ZINC001217975772 1032926851 /nfs/dbraw/zinc/92/68/51/1032926851.db2.gz UPYRKBWDDRKETI-VIFPVBQESA-N 1 0 362.167 2.720 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@]1(c2cnn(C)c2)CCCO1 ZINC000903358474 1020802604 /nfs/dbraw/zinc/80/26/04/1020802604.db2.gz JZDJLTVDOPMXTQ-ACJLOTCBSA-N 1 0 360.414 2.693 20 5 FFBDRO C[C@@H]1C[N@H+](Cc2cccnc2[N+](=O)[O-])CC[C@@H]1CNC(=O)OC(C)(C)C ZINC000932709609 1020880120 /nfs/dbraw/zinc/88/01/20/1020880120.db2.gz JUGQOYSZLABFNR-ZIAGYGMSSA-N 1 0 364.446 2.973 20 5 FFBDRO O=[N+]([O-])c1c(I)cccc1O[C@@H]1CCC[NH2+]CC1 ZINC001217997206 1032940711 /nfs/dbraw/zinc/94/07/11/1032940711.db2.gz QRANUIVFFIUCKL-SECBINFHSA-N 1 0 362.167 2.720 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCN(C)C[C@@H]1CC(C)C ZINC000933246515 1020983300 /nfs/dbraw/zinc/98/33/00/1020983300.db2.gz CFUFZWPPDNMAGX-KRWDZBQOSA-N 1 0 362.474 2.894 20 5 FFBDRO CC(C)C[C@@H]1C[N@H+](C)CCN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000933245683 1020983484 /nfs/dbraw/zinc/98/34/84/1020983484.db2.gz HXKXMZWMTQZOGS-MRXNPFEDSA-N 1 0 359.430 2.807 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]Cc2ccc(Cn3cccn3)cc2)c1 ZINC000749675267 1021018768 /nfs/dbraw/zinc/01/87/68/1021018768.db2.gz XYMODWLEKFTINK-LJQANCHMSA-N 1 0 352.394 2.663 20 5 FFBDRO C[C@@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)N1CCc2ccccc2C1 ZINC000749675381 1021018882 /nfs/dbraw/zinc/01/88/82/1021018882.db2.gz YWDRWNSCRDPUIS-MGPUTAFESA-N 1 0 355.438 2.665 20 5 FFBDRO COC(=O)C1([C@]2(O)CCC[N@@H+]([C@H](C)c3ccccc3[N+](=O)[O-])C2)CCC1 ZINC000933841874 1021101019 /nfs/dbraw/zinc/10/10/19/1021101019.db2.gz VRXZRENRTQEXDD-KUHUBIRLSA-N 1 0 362.426 2.826 20 5 FFBDRO O=C(C[NH2+][C@@H]1CCOC12CCCCC2)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000933874565 1021106228 /nfs/dbraw/zinc/10/62/28/1021106228.db2.gz RROQYDMMSZBJTB-QGZVFWFLSA-N 1 0 359.426 2.565 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2nc(C[NH2+][C@H]3CCOC34CCOCC4)co2)cc1 ZINC000934403967 1021221059 /nfs/dbraw/zinc/22/10/59/1021221059.db2.gz OVOUHPJRQRQXSO-INIZCTEOSA-N 1 0 359.382 2.678 20 5 FFBDRO Cc1ccc(C(=O)c2cc(O)c(O[C@@H]3C[NH2+]C[C@H]3C)c([N+](=O)[O-])c2)cc1 ZINC001218035284 1032962954 /nfs/dbraw/zinc/96/29/54/1032962954.db2.gz JFMWIECCPOEAMY-SJKOYZFVSA-N 1 0 356.378 2.827 20 5 FFBDRO CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1cccnc1[N+](=O)[O-])C2 ZINC000934611778 1021295959 /nfs/dbraw/zinc/29/59/59/1021295959.db2.gz ZPRNYXVSJBTCCU-CFVMTHIKSA-N 1 0 362.430 2.867 20 5 FFBDRO Cc1cncc([N+](=O)[O-])c1NCc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC001116729470 1021380720 /nfs/dbraw/zinc/38/07/20/1021380720.db2.gz UBIRJTBONWWXCX-HOTGVXAUSA-N 1 0 370.453 2.941 20 5 FFBDRO C[C@H]1C[C@H](Oc2cc([N+](=O)[O-])ccc2I)CC[NH2+]1 ZINC001218062419 1032975237 /nfs/dbraw/zinc/97/52/37/1032975237.db2.gz UADXBNCUCRUQCS-WCBMZHEXSA-N 1 0 362.167 2.719 20 5 FFBDRO C[NH+]1CCC(n2ccc(NC(=O)[C@H]3C[C@H]3c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000935703722 1021830816 /nfs/dbraw/zinc/83/08/16/1021830816.db2.gz WSNMBFSVNWURKH-IRXDYDNUSA-N 1 0 369.425 2.800 20 5 FFBDRO Cc1nc(O[C@@H]2CCC[C@@H]3C[NH2+]C[C@@H]32)c([N+](=O)[O-])cc1Br ZINC001218145292 1033017205 /nfs/dbraw/zinc/01/72/05/1033017205.db2.gz OTBBQODJLLTEJD-GBIKHYSHSA-N 1 0 356.220 2.828 20 5 FFBDRO Cc1ccc([C@@H](C)NC(=O)CN(CC[NH3+])Cc2ccccc2)cc1[N+](=O)[O-] ZINC001118144108 1022089140 /nfs/dbraw/zinc/08/91/40/1022089140.db2.gz MVYOWHBIVDHJQG-MRXNPFEDSA-N 1 0 370.453 2.541 20 5 FFBDRO Cc1c(C(=O)NCC(C)(C)[NH+]2CCCCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000042159971 1022143980 /nfs/dbraw/zinc/14/39/80/1022143980.db2.gz VAOVYEVPXWECBP-UHFFFAOYSA-N 1 0 364.402 2.806 20 5 FFBDRO Cn1cc([C@H](O)C[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)cn1 ZINC000779075826 1022764728 /nfs/dbraw/zinc/76/47/28/1022764728.db2.gz ZEKIYWAWWYMYHU-RTBURBONSA-N 1 0 352.394 2.741 20 5 FFBDRO Cc1ccc(CC[NH+]2CCC3(CCN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)CC2)cc1 ZINC001040699816 1022954943 /nfs/dbraw/zinc/95/49/43/1022954943.db2.gz GIUGIYPIVZDGMF-RTBURBONSA-N 1 0 371.481 2.517 20 5 FFBDRO [NH3+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C[C@H]1c1ccccc1 ZINC001122485696 1023299488 /nfs/dbraw/zinc/29/94/88/1023299488.db2.gz OAAGTDWGLBLLDL-MDNKFWRPSA-N 1 0 365.433 2.899 20 5 FFBDRO Cc1c(C(=O)O[C@H]2CCN(c3ccc([N+](=O)[O-])cc3)C2)ccc2c[nH+]cn21 ZINC001122644467 1023386838 /nfs/dbraw/zinc/38/68/38/1023386838.db2.gz SVRVPOHCJZIZDS-KRWDZBQOSA-N 1 0 366.377 2.987 20 5 FFBDRO C[C@@H]1CCC[C@@H](C)C1[NH2+]CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000754121274 1023428368 /nfs/dbraw/zinc/42/83/68/1023428368.db2.gz BGKSAFAKMWXNRJ-HZPDHXFCSA-N 1 0 374.485 2.658 20 5 FFBDRO COc1ccc(C[C@](C)([NH3+])CNc2nc3ccccn3c2[N+](=O)[O-])cc1 ZINC000754668902 1023501906 /nfs/dbraw/zinc/50/19/06/1023501906.db2.gz DLRPPYVTEYJMCC-SFHVURJKSA-N 1 0 355.398 2.623 20 5 FFBDRO O=[N+]([O-])c1c(I)cccc1O[C@@H]1C[NH2+]CCC12CC2 ZINC001218402064 1033140289 /nfs/dbraw/zinc/14/02/89/1033140289.db2.gz ABOQXEURTWZQHM-LLVKDONJSA-N 1 0 374.178 2.720 20 5 FFBDRO Cc1cc(N2C[C@@]3(CO)CCCC[C@@]3(CO)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC001120976115 1023552203 /nfs/dbraw/zinc/55/22/03/1023552203.db2.gz KYJLZSXIKZTGLW-BGYRXZFFSA-N 1 0 371.437 2.803 20 5 FFBDRO C[C@H]1C[NH2+]CC[C@H]1Oc1cccc(I)c1[N+](=O)[O-] ZINC001218417805 1033146381 /nfs/dbraw/zinc/14/63/81/1033146381.db2.gz XPNODLJNUXWBDE-WCBMZHEXSA-N 1 0 362.167 2.576 20 5 FFBDRO C[C@H]1CC[C@@H](Oc2cc(O)cc3oc4c(O)ccc(O)c4c(=O)c23)C[NH2+]1 ZINC001218408453 1033141236 /nfs/dbraw/zinc/14/12/36/1033141236.db2.gz QUZDWHNZMIWERS-GXSJLCMTSA-N 1 0 357.362 2.582 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)O[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001122957995 1023573789 /nfs/dbraw/zinc/57/37/89/1023573789.db2.gz LBOKDAYSAUWKOT-YOEHRIQHSA-N 1 0 372.425 2.554 20 5 FFBDRO Cc1cccc(CCC[NH2+]C2CC3(CC(NC(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)C2)c1 ZINC001121087580 1023598966 /nfs/dbraw/zinc/59/89/66/1023598966.db2.gz OIQKPPOCSDONBC-JGQKGBITSA-N 1 0 371.481 2.610 20 5 FFBDRO CCC[C@@H]1CN(c2nnc([C@H](C)[N+](=O)[O-])n2C)CC[N@@H+]1Cc1ccccc1 ZINC001121296128 1023692789 /nfs/dbraw/zinc/69/27/89/1023692789.db2.gz GBJYUWLQWPIVII-DOTOQJQBSA-N 1 0 372.473 2.644 20 5 FFBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2c3ccc(C)cc3[C@H]3C[N@@H+](C)CC[C@@H]32)n1 ZINC000756624643 1023736622 /nfs/dbraw/zinc/73/66/22/1023736622.db2.gz BMSIWOMFRRLRQT-ZBFHGGJFSA-N 1 0 369.425 2.568 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(Br)c(O[C@H]2C[NH2+]CCC2(F)F)c1 ZINC001218452762 1033162984 /nfs/dbraw/zinc/16/29/84/1033162984.db2.gz LEPIYPQIBHIWIE-VIFPVBQESA-N 1 0 355.110 2.872 20 5 FFBDRO CCn1c([C@@H](C)[N+](=O)[O-])nnc1N1CCC(CC)([NH+]2CCCCC2)CC1 ZINC001121700720 1023934542 /nfs/dbraw/zinc/93/45/42/1023934542.db2.gz XZTOKKIRMHENJU-OAHLLOKOSA-N 1 0 364.494 2.871 20 5 FFBDRO CCn1c([C@H](C)[N+](=O)[O-])nnc1N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC001121700861 1023934915 /nfs/dbraw/zinc/93/49/15/1023934915.db2.gz ZVSKEEFDUHQURK-HOTGVXAUSA-N 1 0 372.473 2.737 20 5 FFBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000758253975 1023997678 /nfs/dbraw/zinc/99/76/78/1023997678.db2.gz OXXFFMWMZHLNOG-QGZVFWFLSA-N 1 0 369.425 2.529 20 5 FFBDRO O=C(NCC12CCC[NH+](CCC1)C2)c1ccc([N+](=O)[O-])c2cccnc12 ZINC001123841399 1024079057 /nfs/dbraw/zinc/07/90/57/1024079057.db2.gz XVJCBALVQBFODK-UHFFFAOYSA-N 1 0 354.410 2.749 20 5 FFBDRO COc1cccc(C(=O)N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000192752133 1024265379 /nfs/dbraw/zinc/26/53/79/1024265379.db2.gz ZEINMMLMDHDSRH-HOCLYGCPSA-N 1 0 369.421 2.996 20 5 FFBDRO CC[NH+]1CCN(c2ccc(NC(=O)CCC(C)(C)[N+](=O)[O-])cc2F)CC1 ZINC000829555095 1033214857 /nfs/dbraw/zinc/21/48/57/1033214857.db2.gz KZRBRWKWHBHQKB-UHFFFAOYSA-N 1 0 366.437 2.742 20 5 FFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC001218705049 1033290993 /nfs/dbraw/zinc/29/09/93/1033290993.db2.gz SPOHTYJOCRUMLS-GFCCVEGCSA-N 1 0 370.837 2.525 20 5 FFBDRO [NH3+][C@H]1CC[C@H](NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)CC1 ZINC000639032393 1026139077 /nfs/dbraw/zinc/13/90/77/1026139077.db2.gz VXPSCPYCUOVBPE-JOCQHMNTSA-N 1 0 371.387 2.959 20 5 FFBDRO O=[N+]([O-])c1ccc2c(cnn2CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000246569819 1026274907 /nfs/dbraw/zinc/27/49/07/1026274907.db2.gz RHZKAPPCNKGVBE-KBXCAEBGSA-N 1 0 355.442 2.851 20 5 FFBDRO Cc1ccc(COC(=O)CC2([NH+]3CCOCC3)CCCC2)cc1[N+](=O)[O-] ZINC000839396883 1026666287 /nfs/dbraw/zinc/66/62/87/1026666287.db2.gz WHLMCCXVUPMAAZ-UHFFFAOYSA-N 1 0 362.426 2.982 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2ncn(C[N@H+]3CCCC[C@@H]3[C@H]3CCC[C@@H]3O)n2)c1 ZINC000840114435 1026961675 /nfs/dbraw/zinc/96/16/75/1026961675.db2.gz IDYXXGVHKPOWCI-KURKYZTESA-N 1 0 371.441 2.826 20 5 FFBDRO CCOC(=O)C1C[NH2+]CCC1=Nc1nc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001159453055 1027395096 /nfs/dbraw/zinc/39/50/96/1027395096.db2.gz PNIQFWCWXWGNFY-UHFFFAOYSA-N 1 0 361.185 2.519 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N(CC[NH3+])C12CC3CC(CC(C3)C1)C2 ZINC001159538438 1027426107 /nfs/dbraw/zinc/42/61/07/1027426107.db2.gz UDCXKFCDFNLPTL-UHFFFAOYSA-N 1 0 374.441 2.510 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])cnc1-n1c(-c2ccccc2)cnc1[C@H](C)[NH3+] ZINC001159590065 1027437481 /nfs/dbraw/zinc/43/74/81/1027437481.db2.gz IIZLAZFWEOBUDX-NSHDSACASA-N 1 0 367.365 2.649 20 5 FFBDRO O=C(NCCC1=CC[N@H+](CC2CCC(F)(F)CC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001160106778 1027592803 /nfs/dbraw/zinc/59/28/03/1027592803.db2.gz BMQWUDHDWSPZRZ-HZPDHXFCSA-N 1 0 371.428 2.616 20 5 FFBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N2c3ccccc3OC[C@@H]2C[NH3+])n1 ZINC001160196856 1027633417 /nfs/dbraw/zinc/63/34/17/1027633417.db2.gz XOZWZASSTFYHEX-QMMMGPOBSA-N 1 0 367.818 2.618 20 5 FFBDRO CN(Cc1c2ccccc2cc2ccccc21)C(=O)C1=NO[C@@H]2C[NH2+]C[C@H]12 ZINC001160737103 1027844154 /nfs/dbraw/zinc/84/41/54/1027844154.db2.gz BCBLYQYKRMQQRI-AZUAARDMSA-N 1 0 359.429 2.926 20 5 FFBDRO CN(Cc1c2ccccc2cc2ccccc21)C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001160739210 1027847817 /nfs/dbraw/zinc/84/78/17/1027847817.db2.gz UHDWDIMTIYFIIX-BULFRSBZSA-N 1 0 359.473 2.901 20 5 FFBDRO [NH3+][C@H]1CC[C@H](N(c2nc(Cl)cc(Cl)c2[N+](=O)[O-])C2COC2)CC1 ZINC001161276486 1028109067 /nfs/dbraw/zinc/10/90/67/1028109067.db2.gz FLIPBEPFJWCVET-KYZUINATSA-N 1 0 361.229 2.772 20 5 FFBDRO CCOc1nc(NC2(Cc3ccccn3)CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC001161495518 1028199574 /nfs/dbraw/zinc/19/95/74/1028199574.db2.gz SSYOZSCKOZIFGW-UHFFFAOYSA-N 1 0 357.414 2.560 20 5 FFBDRO C[NH+](C)CC(=O)N[C@H]1CC[C@H](Nc2ccc3c(cccc3[N+](=O)[O-])n2)CC1 ZINC001161669918 1028274347 /nfs/dbraw/zinc/27/43/47/1028274347.db2.gz OAGTXCFQOVYTAF-HDJSIYSDSA-N 1 0 371.441 2.544 20 5 FFBDRO COC(=O)c1ccnc(N(CC(C)(C)C)[C@H]2CC[C@H]([NH3+])CC2)c1[N+](=O)[O-] ZINC001161680479 1028279853 /nfs/dbraw/zinc/27/98/53/1028279853.db2.gz RXNQGKQVJWMHPV-JOCQHMNTSA-N 1 0 364.446 2.899 20 5 FFBDRO C[C@@H](CN1CC[NH2+]CC1)Nc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC001154752138 1028436632 /nfs/dbraw/zinc/43/66/32/1028436632.db2.gz FNIZPXIGDCJNAK-ZDUSSCGKSA-N 1 0 359.405 2.502 20 5 FFBDRO Cc1cc(-n2c(C[NH3+])nc3cnccc32)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001162220263 1028471979 /nfs/dbraw/zinc/47/19/79/1028471979.db2.gz TWHYCWHOIVOLRN-UHFFFAOYSA-N 1 0 361.365 2.553 20 5 FFBDRO O=[N+]([O-])c1ccc2ccc(-n3nc(C(F)(F)F)c4c3CC[NH2+]C4)nc2c1 ZINC001154849481 1028482508 /nfs/dbraw/zinc/48/25/08/1028482508.db2.gz NADVNUPNLXSZOY-UHFFFAOYSA-N 1 0 363.299 2.993 20 5 FFBDRO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1NC[C@H]1CCC[NH2+]C[C@@H]1C ZINC001155018999 1028549339 /nfs/dbraw/zinc/54/93/39/1028549339.db2.gz BRKLWJYISVXCKM-WDEREUQCSA-N 1 0 370.837 2.868 20 5 FFBDRO Cc1cc(NC[C@@H]2CCC[NH2+]C[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001155028699 1028552165 /nfs/dbraw/zinc/55/21/65/1028552165.db2.gz BTDNWNNAYQXWSH-BBRMVZONSA-N 1 0 355.442 2.830 20 5 FFBDRO CC[N@@H+](Cc1ccc(F)cc1)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000957712918 1028581650 /nfs/dbraw/zinc/58/16/50/1028581650.db2.gz ANAWEVJVYRQTIX-QZTJIDSGSA-N 1 0 363.433 2.551 20 5 FFBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1-n1c2ccccc2nc1[C@@H](C)[NH3+] ZINC001155254420 1028645205 /nfs/dbraw/zinc/64/52/05/1028645205.db2.gz KGKAHTORWYNLHS-SNVBAGLBSA-N 1 0 355.354 2.525 20 5 FFBDRO O=[N+]([O-])c1cc2c(cc1F)ncnc2NCc1ccc2c(c1)CC[NH2+]C2 ZINC001162803089 1028661119 /nfs/dbraw/zinc/66/11/19/1028661119.db2.gz QMKJUPCUFUJJKU-UHFFFAOYSA-N 1 0 353.357 2.935 20 5 FFBDRO Cc1cc(Cl)c([N+](=O)[O-])c(NC[C@@H]2CCC3(CC[NH2+]CC3)CO2)n1 ZINC001155381508 1028708685 /nfs/dbraw/zinc/70/86/85/1028708685.db2.gz BUVNMFKCSRVFOU-LBPRGKRZSA-N 1 0 354.838 2.912 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ccc(NCc3nnn4c3C[NH2+]CCC4)cc2)cc1 ZINC001162978001 1028744945 /nfs/dbraw/zinc/74/49/45/1028744945.db2.gz SCFUYWUALBJBSM-UHFFFAOYSA-N 1 0 364.409 2.959 20 5 FFBDRO O=[N+]([O-])c1ccc(NC[C@@H]2OC[C@H]3C[NH2+]CC[C@H]32)nc1-c1ccc(F)cc1 ZINC001155526775 1028776760 /nfs/dbraw/zinc/77/67/60/1028776760.db2.gz SQFTYOKWNYYCAB-UNEWFSDZSA-N 1 0 372.400 2.832 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ccccc2)nc1NCC[C@@H]1CCOC12C[NH2+]C2 ZINC001163083263 1028789600 /nfs/dbraw/zinc/78/96/00/1028789600.db2.gz ZFDGCUIEIMFNFO-OAHLLOKOSA-N 1 0 354.410 2.837 20 5 FFBDRO O=[N+]([O-])c1cc(-c2ccc(N[C@H]3CCO[C@@]4(CC[NH2+]C4)C3)nn2)ccc1F ZINC001155624823 1028823205 /nfs/dbraw/zinc/82/32/05/1028823205.db2.gz IXHFYJRZOIRLEM-UGSOOPFHSA-N 1 0 373.388 2.514 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)c(F)cnc2NC[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001163278873 1028870997 /nfs/dbraw/zinc/87/09/97/1028870997.db2.gz KZBGCWMRNOKWSN-KPZWWZAWSA-N 1 0 360.389 2.853 20 5 FFBDRO O=[N+]([O-])c1ccc2nc(Cl)c(N[C@@H]3CCO[C@@]4(CC[NH2+]C4)C3)nc2c1 ZINC001163313520 1028887948 /nfs/dbraw/zinc/88/79/48/1028887948.db2.gz XYJBEDRSMMRSKD-HWPZZCPQSA-N 1 0 363.805 2.514 20 5 FFBDRO [NH3+]CCCC[C@H](Nc1nccc2cc([N+](=O)[O-])ccc21)C(=O)N1CCCC1 ZINC001163461421 1028934113 /nfs/dbraw/zinc/93/41/13/1028934113.db2.gz FEDKUEXBERJZGP-KRWDZBQOSA-N 1 0 371.441 2.675 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ccc(N[C@H]3CCCC[C@@]34C[NH2+]CCO4)nn2)cc1 ZINC001155834392 1028934406 /nfs/dbraw/zinc/93/44/06/1028934406.db2.gz UHYJHFCWDNHSSN-PKOBYXMFSA-N 1 0 369.425 2.765 20 5 FFBDRO O=C(NCCC1(C[NH2+]Cc2cccc(Cl)c2F)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001164490630 1029295017 /nfs/dbraw/zinc/29/50/17/1029295017.db2.gz OPJTVJPUTYRRNG-TZMCWYRMSA-N 1 0 369.824 2.520 20 5 FFBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N2CCC(C3CC[NH+](C)CC3)CC2)n1 ZINC001165065065 1029358194 /nfs/dbraw/zinc/35/81/94/1029358194.db2.gz CMLBVDRQCMLLNE-UHFFFAOYSA-N 1 0 353.854 2.905 20 5 FFBDRO O=[N+]([O-])c1cnc(N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001165083549 1029371238 /nfs/dbraw/zinc/37/12/38/1029371238.db2.gz GXWKUOUYSBUNLE-WMLDXEAASA-N 1 0 369.381 2.609 20 5 FFBDRO [NH3+]Cc1nn(-c2nc(C(F)(F)F)nc(Cl)c2[N+](=O)[O-])c2ccccc12 ZINC001156860618 1029379697 /nfs/dbraw/zinc/37/96/97/1029379697.db2.gz PQBALHJIMMLPFF-UHFFFAOYSA-N 1 0 372.694 2.855 20 5 FFBDRO COCCC[NH+]1CCN(c2ccc3c(ccc(Cl)c3[N+](=O)[O-])n2)CC1 ZINC001165096934 1029386833 /nfs/dbraw/zinc/38/68/33/1029386833.db2.gz OUEOSZNSVDGROS-UHFFFAOYSA-N 1 0 364.833 2.955 20 5 FFBDRO O=[N+]([O-])c1cnc(N2CCC[C@@H]2c2c(F)cccc2F)nc1C1C[NH2+]C1 ZINC001156946825 1029418272 /nfs/dbraw/zinc/41/82/72/1029418272.db2.gz FLEZDQLVOKAAFJ-CYBMUJFWSA-N 1 0 361.352 2.691 20 5 FFBDRO O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001156965347 1029423543 /nfs/dbraw/zinc/42/35/43/1029423543.db2.gz VCOAFXKLXHVHDV-MRXNPFEDSA-N 1 0 369.425 2.732 20 5 FFBDRO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1N(C)c1cc([N+](=O)[O-])cc[n+]1[O-] ZINC001165180689 1029435684 /nfs/dbraw/zinc/43/56/84/1029435684.db2.gz DJOKKRVZWNATSW-QAPCUYQASA-N 1 0 356.426 2.575 20 5 FFBDRO COc1ncnc(-n2cc(C3CC[NH2+]CC3)c3cccc(F)c32)c1[N+](=O)[O-] ZINC001157359172 1029565649 /nfs/dbraw/zinc/56/56/49/1029565649.db2.gz KBPYFMOWUJJLLX-UHFFFAOYSA-N 1 0 371.372 2.943 20 5 FFBDRO [NH3+]C[C@]1(F)CCN(c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)nn2)C1 ZINC001157816142 1029669544 /nfs/dbraw/zinc/66/95/44/1029669544.db2.gz CMMZEFBXSUEXNT-OAHLLOKOSA-N 1 0 351.769 2.582 20 5 FFBDRO [NH3+][C@@H]1CCc2nn(-c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)nn3)cc2C1 ZINC001157987350 1029702730 /nfs/dbraw/zinc/70/27/30/1029702730.db2.gz LAVGVGRLYLCSLH-GFCCVEGCSA-N 1 0 370.800 2.707 20 5 FFBDRO Cc1ccnc(OC2CC[NH+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000782513626 1029727076 /nfs/dbraw/zinc/72/70/76/1029727076.db2.gz DZYZRNDPVPEKDT-SFHVURJKSA-N 1 0 357.410 2.875 20 5 FFBDRO Cc1cc(N2CCO[C@@H](C[NH+]3CCCC3)C2)nc2ccc([N+](=O)[O-])cc12 ZINC001158303699 1029791491 /nfs/dbraw/zinc/79/14/91/1029791491.db2.gz ASVKELGOAQVTIL-INIZCTEOSA-N 1 0 356.426 2.752 20 5 FFBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N(Cc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC001158449186 1029831629 /nfs/dbraw/zinc/83/16/29/1029831629.db2.gz VQBAIVLLPTYYLZ-UHFFFAOYSA-N 1 0 374.416 2.777 20 5 FFBDRO Cc1ccc([C@H](C)[NH2+]CC(C)(C)[C@@H]2COCC23OCCO3)cc1[N+](=O)[O-] ZINC000840800581 1029885789 /nfs/dbraw/zinc/88/57/89/1029885789.db2.gz FKVZNYBXGIVJLX-YOEHRIQHSA-N 1 0 364.442 2.970 20 5 FFBDRO COc1cc2ncnc(N3CCC4(CCCC[NH2+]4)CC3)c2cc1[N+](=O)[O-] ZINC001165247209 1029913351 /nfs/dbraw/zinc/91/33/51/1029913351.db2.gz RFHLRVCKNAWHLX-UHFFFAOYSA-N 1 0 357.414 2.659 20 5 FFBDRO COc1nc(N2[C@@H](C(F)(F)F)CCC23CC[NH2+]CC3)ccc1[N+](=O)[O-] ZINC001165305117 1029940625 /nfs/dbraw/zinc/94/06/25/1029940625.db2.gz VIZKWIMENZWXTE-LLVKDONJSA-N 1 0 360.336 2.652 20 5 FFBDRO CN(C)/C=C/c1cc(N2CCCC[C@H]2C2CC[NH2+]CC2)ncc1[N+](=O)[O-] ZINC001165321879 1029943495 /nfs/dbraw/zinc/94/34/95/1029943495.db2.gz ALPUDUIAFLCWJO-UEICXMAYSA-N 1 0 359.474 2.881 20 5 FFBDRO COc1cnc(N([C@H]2COC3(C2)CC[NH2+]CC3)C(C)(C)C)c([N+](=O)[O-])c1 ZINC001165669534 1030076524 /nfs/dbraw/zinc/07/65/24/1030076524.db2.gz KTNPNHAOYYGROW-CYBMUJFWSA-N 1 0 364.446 2.514 20 5 FFBDRO O=[N+]([O-])c1cccc(-n2nc(-c3ccc(F)cc3)c3c2CC[NH2+]CC3)n1 ZINC001165822512 1030138727 /nfs/dbraw/zinc/13/87/27/1030138727.db2.gz NLAKKAFVOYYBKG-UHFFFAOYSA-N 1 0 353.357 2.670 20 5 FFBDRO C/C(=C\C(=O)N1CC[NH+](CC2CCOCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000784013868 1030417668 /nfs/dbraw/zinc/41/76/68/1030417668.db2.gz PNAONCYRAPAENK-JQIJEIRASA-N 1 0 373.453 2.569 20 5 FFBDRO Nc1c(C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)[C@H]3C2)cccc1[N+](=O)[O-] ZINC001142659271 1030689646 /nfs/dbraw/zinc/68/96/46/1030689646.db2.gz NTEJORWCSBZYGW-QAPCUYQASA-N 1 0 366.421 2.524 20 5 FFBDRO COc1cc(OCC(=O)OC[C@@H]2CCC[N@@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000842834087 1030986517 /nfs/dbraw/zinc/98/65/17/1030986517.db2.gz REVHFGRAVBYROZ-CQSZACIVSA-N 1 0 366.414 2.646 20 5 FFBDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000798003447 1031279555 /nfs/dbraw/zinc/27/95/55/1031279555.db2.gz MHUZNPHJOGQINW-ZBFHGGJFSA-N 1 0 361.442 2.885 20 5 FFBDRO O=C([C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)N1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001150941429 1031816451 /nfs/dbraw/zinc/81/64/51/1031816451.db2.gz DYEZXFHIJCGWFS-MISYRCLQSA-N 1 0 365.433 2.741 20 5 FFBDRO CN(C)c1nc(Cl)c(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)s1 ZINC001205666791 1031917982 /nfs/dbraw/zinc/91/79/82/1031917982.db2.gz DMHDXYLYRWJVDR-UHFFFAOYSA-N 1 0 355.851 2.736 20 5 FFBDRO CC[NH+](CC)C1CCN(C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC001115868476 1031991772 /nfs/dbraw/zinc/99/17/72/1031991772.db2.gz DYXCQDJOTQCCMB-UHFFFAOYSA-N 1 0 364.446 2.619 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)c1ccc(N2CCNC2=O)cc1 ZINC000829750475 1033321423 /nfs/dbraw/zinc/32/14/23/1033321423.db2.gz BFPJMDSSYHXLNQ-CYBMUJFWSA-N 1 0 370.409 2.984 20 5 FFBDRO CCOc1cc(NC(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)ccc1[N+](=O)[O-] ZINC001219317468 1033597174 /nfs/dbraw/zinc/59/71/74/1033597174.db2.gz BOBYUWMAALBCJQ-ZDUSSCGKSA-N 1 0 350.419 2.988 20 5 FFBDRO C[N+](C)(C)C[C@H](O)CC(=O)OCc1ccc(CCc2ccccc2)cc1 ZINC001224097699 1033713995 /nfs/dbraw/zinc/71/39/95/1033713995.db2.gz ZFLFKEJQIZWFRN-OAQYLSRUSA-N 1 0 356.486 2.972 20 5 FFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 ZINC000831572900 1034129952 /nfs/dbraw/zinc/12/99/52/1034129952.db2.gz XDRXJPKVSMQVLT-AGIUHOORSA-N 1 0 371.359 2.998 20 5 FFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1 ZINC000831572901 1034130046 /nfs/dbraw/zinc/13/00/46/1034130046.db2.gz XDRXJPKVSMQVLT-FRRDWIJNSA-N 1 0 371.359 2.998 20 5 FFBDRO C[NH+]1CCC2(CC[C@H](COc3c([N+](=O)[O-])cc(F)cc3[N+](=O)[O-])O2)CC1 ZINC001225886800 1034439599 /nfs/dbraw/zinc/43/95/99/1034439599.db2.gz JFRKXVSSHLAAIX-GFCCVEGCSA-N 1 0 369.349 2.664 20 5 FFBDRO CCCc1n[nH]c(C(=O)N2CCC(C)([NH+]3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000832238901 1034666990 /nfs/dbraw/zinc/66/69/90/1034666990.db2.gz NITJFKPFWMEIKV-UHFFFAOYSA-N 1 0 363.462 2.751 20 5 FFBDRO C[N@@H+]1CCN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC1(C)C ZINC001202952181 1035176564 /nfs/dbraw/zinc/17/65/64/1035176564.db2.gz PRFPAUIFWFZWDY-UHFFFAOYSA-N 1 0 371.235 2.915 20 5 FFBDRO COc1ccc(CC(=O)NC2CCC(C)([NH+]3CCC3)CC2)cc1[N+](=O)[O-] ZINC000834792574 1035450468 /nfs/dbraw/zinc/45/04/68/1035450468.db2.gz MXELSNBGCNNALG-UHFFFAOYSA-N 1 0 361.442 2.669 20 5 FFBDRO CCCCCCOC(=O)c1ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)cc1 ZINC001227495821 1035583717 /nfs/dbraw/zinc/58/37/17/1035583717.db2.gz XQKYKROYPZBIGA-QGZVFWFLSA-N 1 0 366.478 2.786 20 5 FFBDRO C[N@@H+]1CCC[C@@H](Oc2ccc([N+](=O)[O-])c(I)c2)C1 ZINC001227995088 1035858442 /nfs/dbraw/zinc/85/84/42/1035858442.db2.gz RJMRFJFPPDPGIC-SNVBAGLBSA-N 1 0 362.167 2.672 20 5 FFBDRO CC(=O)O[C@@H]1C[C@@H]2C[C@H](Oc3nccc4ccc([N+](=O)[O-])cc43)C[C@H]1[N@@H+]2C ZINC001229010079 1036456465 /nfs/dbraw/zinc/45/64/65/1036456465.db2.gz ZCJQZOSUBYIDHQ-CWLKWCNXSA-N 1 0 371.393 2.689 20 5 FFBDRO O=[N+]([O-])c1ccc(O)c(OC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c1 ZINC001229396221 1036650080 /nfs/dbraw/zinc/65/00/80/1036650080.db2.gz RKOZGCRLPHJWFZ-QGZVFWFLSA-N 1 0 358.394 2.970 20 5 FFBDRO COC(=O)c1cnc(O[C@H]2CCC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001233856729 1036792373 /nfs/dbraw/zinc/79/23/73/1036792373.db2.gz CFHKFJCLHWGXNU-INIZCTEOSA-N 1 0 371.393 2.820 20 5 FFBDRO COc1cc(CC[N+](=O)[O-])ccc1OC1CCN(c2cc[nH+]cc2)CC1 ZINC001233985775 1036857084 /nfs/dbraw/zinc/85/70/84/1036857084.db2.gz DBOZJGPBAWJQFM-UHFFFAOYSA-N 1 0 357.410 2.957 20 5 FFBDRO Cc1c(Cl)c(Br)ccc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001234307648 1036987861 /nfs/dbraw/zinc/98/78/61/1036987861.db2.gz JSCGPLFHPSKQPZ-SNVBAGLBSA-N 1 0 365.675 2.774 20 5 FFBDRO C[NH+]1CCC(Oc2ccc(I)c([N+](=O)[O-])c2)CC1 ZINC001229946167 1036993531 /nfs/dbraw/zinc/99/35/31/1036993531.db2.gz LNNXQCDXBQBVPN-UHFFFAOYSA-N 1 0 362.167 2.672 20 5 FFBDRO C[C@@H]1[C@@H](C)[N@@H+](C)C[C@H](C)N1C(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001277849084 1036996949 /nfs/dbraw/zinc/99/69/49/1036996949.db2.gz INLZDARVKDPYQY-YNEHKIRRSA-N 1 0 356.426 2.883 20 5 FFBDRO C[NH+]1CCC2(CC[C@@H](COc3c([N+](=O)[O-])cccc3[N+](=O)[O-])O2)CC1 ZINC001230313103 1037216097 /nfs/dbraw/zinc/21/60/97/1037216097.db2.gz UZRNBSHNWYNAKF-LBPRGKRZSA-N 1 0 351.359 2.525 20 5 FFBDRO Cc1ccc(OC[C@@H]2CCC3(CC[NH+](C)CC3)O2)c([N+](=O)[O-])c1[N+](=O)[O-] ZINC001230485694 1037291512 /nfs/dbraw/zinc/29/15/12/1037291512.db2.gz UAOZUWVEVPWCAR-ZDUSSCGKSA-N 1 0 365.386 2.834 20 5 FFBDRO Cc1ccc(O[C@H]2CC[C@@H]([NH+]3CCOCC3)CC2)c([N+](=O)[O-])c1[N+](=O)[O-] ZINC001230490442 1037293497 /nfs/dbraw/zinc/29/34/97/1037293497.db2.gz BARNUGOKGDBGOJ-OKILXGFUSA-N 1 0 365.386 2.834 20 5 FFBDRO COC[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1)C(C)C ZINC001256083081 1038369055 /nfs/dbraw/zinc/36/90/55/1038369055.db2.gz MMHJPANVYFHCBU-MRXNPFEDSA-N 1 0 351.447 2.833 20 5 FFBDRO COc1cc(N2CCC([NH2+]Cc3c(C)noc3C)CC2)ccc1[N+](=O)[O-] ZINC001256087005 1038370444 /nfs/dbraw/zinc/37/04/44/1038370444.db2.gz LLGBDZZVXXILQT-UHFFFAOYSA-N 1 0 360.414 2.967 20 5 FFBDRO COc1cc(N2CCC([NH2+][C@H]3CC[C@@H](CO)CC3)CC2)ccc1[N+](=O)[O-] ZINC001256087042 1038370641 /nfs/dbraw/zinc/37/06/41/1038370641.db2.gz NERJZLAGLFSOBB-GASCZTMLSA-N 1 0 363.458 2.713 20 5 FFBDRO CCC[N@H+](CCOC)C1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC001256095106 1038379831 /nfs/dbraw/zinc/37/98/31/1038379831.db2.gz YRLQQNCMQDHJSH-UHFFFAOYSA-N 1 0 351.447 2.931 20 5 FFBDRO COc1cc(N2CCC([N@H+](C)Cc3cc(C)nn3C)CC2)ccc1[N+](=O)[O-] ZINC001256098994 1038382308 /nfs/dbraw/zinc/38/23/08/1038382308.db2.gz IJJJMYNUSCUGID-UHFFFAOYSA-N 1 0 373.457 2.746 20 5 FFBDRO COc1cc(N2CCC([NH+]3CCC(C(C)=O)CC3)CC2)ccc1[N+](=O)[O-] ZINC001256099161 1038383937 /nfs/dbraw/zinc/38/39/37/1038383937.db2.gz LGTIGWCZLONHHC-UHFFFAOYSA-N 1 0 361.442 2.873 20 5 FFBDRO C[C@@H]1C[NH+](CCc2nnc(-c3cc(F)cc([N+](=O)[O-])c3F)o2)C[C@@H](C)O1 ZINC001258150701 1039230932 /nfs/dbraw/zinc/23/09/32/1039230932.db2.gz BFVZPEBXRAPDLB-NXEZZACHSA-N 1 0 368.340 2.575 20 5 FFBDRO Cc1c([N+](=O)[O-])ccc(F)c1-c1nnc(CC[NH+]2C[C@H](C)O[C@@H](C)C2)o1 ZINC001258154464 1039235540 /nfs/dbraw/zinc/23/55/40/1039235540.db2.gz VUJNBTBGAFJKBN-QWRGUYRKSA-N 1 0 364.377 2.744 20 5 FFBDRO CC[NH+]1CCN(Cc2ccc(Nc3cnc(OC)c([N+](=O)[O-])c3)cc2)CC1 ZINC001210138483 1039401737 /nfs/dbraw/zinc/40/17/37/1039401737.db2.gz UUSBPDSUSRVWFN-UHFFFAOYSA-N 1 0 371.441 2.880 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CCC[C@]23CCC[NH2+]C3)c1F ZINC001246609675 1039414741 /nfs/dbraw/zinc/41/47/41/1039414741.db2.gz MMRMEVSYINBMOP-UGSOOPFHSA-N 1 0 351.422 2.892 20 5 FFBDRO c1cnc2c(c1)ccc1ccc(-c3noc([C@@H]4COC5(C[NH2+]C5)C4)n3)nc12 ZINC001247876576 1040015195 /nfs/dbraw/zinc/01/51/95/1040015195.db2.gz YKRFIKQBXLTHGI-AWEZNQCLSA-N 1 0 359.389 2.679 20 5 FFBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCCC[C@H]1[C@H](C)C[NH+](C)C ZINC001213255345 1040380115 /nfs/dbraw/zinc/38/01/15/1040380115.db2.gz MSFAUTNSDDFTKE-HIFRSBDPSA-N 1 0 369.487 2.644 20 5 FFBDRO COc1ncc(-c2noc(C[C@@H]([NH3+])c3ccc([N+](=O)[O-])cc3)n2)cc1C ZINC001249342096 1040692252 /nfs/dbraw/zinc/69/22/52/1040692252.db2.gz JPQPTQLPFJRZBR-CQSZACIVSA-N 1 0 355.354 2.599 20 5 FFBDRO CCOC(=O)[C@H]1CCCC[N@@H+]1C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254479732 1040746276 /nfs/dbraw/zinc/74/62/76/1040746276.db2.gz JXAHPTNEEHOHQC-GOSISDBHSA-N 1 0 361.442 2.981 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])n1ccncc1=N[C@H]1CC[C@H]([NH3+])CC1 ZINC001254544818 1040790731 /nfs/dbraw/zinc/79/07/31/1040790731.db2.gz LBJNCJUVYPCAJP-DJIMGWMZSA-N 1 0 355.442 2.766 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC001254551509 1040791751 /nfs/dbraw/zinc/79/17/51/1040791751.db2.gz CMZMNSIBRJEHRP-FAYQHZLMSA-N 1 0 361.442 2.981 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCOCCNC(=O)OC(C)(C)C ZINC001254548479 1040792127 /nfs/dbraw/zinc/79/21/27/1040792127.db2.gz MOHPZKMESDBCMC-CQSZACIVSA-N 1 0 367.446 2.657 20 5 FFBDRO Cc1noc(C[C@@H]2C[C@H]3C[N@@H+]([C@H](C)Cc4ccccc4[N+](=O)[O-])C[C@H]3O2)n1 ZINC001254559476 1040797037 /nfs/dbraw/zinc/79/70/37/1040797037.db2.gz YCZIQSSZCPURCD-BLBBIFAFSA-N 1 0 372.425 2.549 20 5 FFBDRO CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254572325 1040807464 /nfs/dbraw/zinc/80/74/64/1040807464.db2.gz KZLSBKYPECGSIA-SIXLDLHFSA-N 1 0 359.426 2.517 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]Cc1cccc(CN3CCOCC3)c1)C2 ZINC001254573050 1040809816 /nfs/dbraw/zinc/80/98/16/1040809816.db2.gz WAMIBVVGMRHASI-FQEVSTJZSA-N 1 0 367.449 2.684 20 5 FFBDRO CCOC(=O)Cc1ccc(C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC001254585372 1040816012 /nfs/dbraw/zinc/81/60/12/1040816012.db2.gz WFZRWBUPZSRBRC-GOSISDBHSA-N 1 0 354.406 2.957 20 5 FFBDRO O=C1[C@H]2C[N@H+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@H]2CN1c1ccsc1 ZINC001254593854 1040821590 /nfs/dbraw/zinc/82/15/90/1040821590.db2.gz COWWVZSBKUZGBG-QGTPRVQTSA-N 1 0 369.446 2.718 20 5 FFBDRO CC(C)C(=O)N1CC[C@@H]2C[N@@H+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC[C@@H]21 ZINC001254596124 1040825303 /nfs/dbraw/zinc/82/53/03/1040825303.db2.gz OWCVHDZHTZBVLR-LZQZEXGQSA-N 1 0 357.454 2.641 20 5 FFBDRO O=C1CCC2(CC[NH+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC2)N1CC1CC1 ZINC001254596044 1040825500 /nfs/dbraw/zinc/82/55/00/1040825500.db2.gz MJIBRPHFSNEMFI-LJQANCHMSA-N 1 0 369.465 2.929 20 5 FFBDRO COc1ccc(CC[N@H+](C[C@H](C)O)[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC001254599668 1040829010 /nfs/dbraw/zinc/82/90/10/1040829010.db2.gz OGTNVLYBAYRZBI-YWZLYKJASA-N 1 0 370.449 2.996 20 5 FFBDRO O=C1N(CC2CC2)CC[C@]12CCC[N@@H+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254599398 1040829463 /nfs/dbraw/zinc/82/94/63/1040829463.db2.gz YURVOZWMEHPHSZ-FPOVZHCZSA-N 1 0 369.465 2.787 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CCCN(Cc3ccncc3)CC1)C2 ZINC001254599743 1040830044 /nfs/dbraw/zinc/83/00/44/1040830044.db2.gz PRZNPGZAKOKYFZ-FQEVSTJZSA-N 1 0 352.438 2.665 20 5 FFBDRO COc1ccc(CC[N@H+](C[C@H](C)O)[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC001254599666 1040830344 /nfs/dbraw/zinc/83/03/44/1040830344.db2.gz OGTNVLYBAYRZBI-MGPUTAFESA-N 1 0 370.449 2.996 20 5 FFBDRO CC(C)(C)OC(=O)NC[C@@H]1[C@H]2C[N@H+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@H]21 ZINC001254601050 1040832182 /nfs/dbraw/zinc/83/21/82/1040832182.db2.gz XRNHDPVZGMKIKK-XLAORIBOSA-N 1 0 373.453 2.765 20 5 FFBDRO C[NH+]1CCC2(CCN2C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001262364370 1041659221 /nfs/dbraw/zinc/65/92/21/1041659221.db2.gz UXPAJAXKLNCLQZ-UHFFFAOYSA-N 1 0 360.458 2.797 20 5 FFBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)[C@@H]3CC[C@H]4C[C@H]4C3)c2)CC1 ZINC001262811893 1041871424 /nfs/dbraw/zinc/87/14/24/1041871424.db2.gz DQOTXUJQFVUKQE-ZNMIVQPWSA-N 1 0 358.442 2.721 20 5 FFBDRO O=C([C@H]1C[NH2+]CCC12CCC2)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC001263088246 1042095055 /nfs/dbraw/zinc/09/50/55/1042095055.db2.gz DUZWCWRJYHWHSM-GOSISDBHSA-N 1 0 373.453 2.744 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])cc1-c1nc(-c2ccc3c(n2)CC[NH2+]C3)no1 ZINC001216836916 1042140276 /nfs/dbraw/zinc/14/02/76/1042140276.db2.gz BIPRAQHWKARUBM-UHFFFAOYSA-N 1 0 351.366 2.969 20 5 FFBDRO [NH3+]C[C@]12CC[C@H]1CCCN2C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC001263238513 1042192561 /nfs/dbraw/zinc/19/25/61/1042192561.db2.gz MYFAELNTWDZOON-MEBBXXQBSA-N 1 0 368.231 2.701 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC001263926837 1042537910 /nfs/dbraw/zinc/53/79/10/1042537910.db2.gz HHTDBIJJHYBCLA-HOTGVXAUSA-N 1 0 361.442 2.524 20 5 FFBDRO Cc1ccc(NC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)cc1[N+](=O)[O-] ZINC001310095971 1043636122 /nfs/dbraw/zinc/63/61/22/1043636122.db2.gz CVOXGVHXVHWZLH-ZFWWWQNUSA-N 1 0 350.444 2.605 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC001310654452 1043720088 /nfs/dbraw/zinc/72/00/88/1043720088.db2.gz CBRJZBRNFXNRKA-UHFFFAOYSA-N 1 0 350.419 2.942 20 5 FFBDRO CN(C)c1ccc([C@@H](C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)N(C)C)cc1 ZINC000905703697 1043783138 /nfs/dbraw/zinc/78/31/38/1043783138.db2.gz IWLYFYDBCAOESW-WOJBJXKFSA-N 1 0 372.469 2.587 20 5 FFBDRO COCC[N@@H+]1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])c3ccccc23)C1 ZINC001311330584 1043891482 /nfs/dbraw/zinc/89/14/82/1043891482.db2.gz FUOAGXXNPHMHRJ-ZDUSSCGKSA-N 1 0 358.398 2.590 20 5 FFBDRO C[N@@H+]1CCCC[C@H]1CNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC001312380988 1044103672 /nfs/dbraw/zinc/10/36/72/1044103672.db2.gz NNPPDLDNXDAGFG-AWEZNQCLSA-N 1 0 354.838 2.574 20 5 FFBDRO COc1ccc(CC(=O)Nc2c[nH+]ccc2-n2ccnc2C)cc1[N+](=O)[O-] ZINC001318605896 1044769561 /nfs/dbraw/zinc/76/95/61/1044769561.db2.gz WFFDPTWHEFUXAP-UHFFFAOYSA-N 1 0 367.365 2.674 20 5 FFBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCCC[C@@H]2[NH+](C)C)cc1OC ZINC001318672390 1044802914 /nfs/dbraw/zinc/80/29/14/1044802914.db2.gz SKQYNJHPLROUHI-KGLIPLIRSA-N 1 0 365.430 2.605 20 5 FFBDRO COC(=O)CC(C)(C)[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC001319400377 1045138444 /nfs/dbraw/zinc/13/84/44/1045138444.db2.gz PLNOHCCGHALDOI-UHFFFAOYSA-N 1 0 351.403 2.505 20 5 FFBDRO O=C(NC[C@H]1C[C@@H]([NH2+]C/C=C/c2ccc(Cl)cc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001316614309 1045147419 /nfs/dbraw/zinc/14/74/19/1045147419.db2.gz BVWUNZAQAPPHEA-YPHDPYNUSA-N 1 0 363.845 2.503 20 5 FFBDRO O=C(NC1(C[NH2+]CCCc2ccsc2)CCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001282607135 1045954329 /nfs/dbraw/zinc/95/43/29/1045954329.db2.gz JVXJPJMBJOOTRQ-HZPDHXFCSA-N 1 0 365.499 2.755 20 5 FFBDRO CC(C)(NC(=O)NCc1ccc(CC[NH3+])cc1)c1ccc([N+](=O)[O-])cc1 ZINC001325325320 1046470267 /nfs/dbraw/zinc/47/02/67/1046470267.db2.gz VVLWAGGTRGGOFG-UHFFFAOYSA-N 1 0 356.426 2.831 20 5 FFBDRO C[N@H+](CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C1CCC(CO)CC1 ZINC001325993639 1046712201 /nfs/dbraw/zinc/71/22/01/1046712201.db2.gz ASFISHLOUKBEAY-UHFFFAOYSA-N 1 0 355.822 2.670 20 5 FFBDRO C[NH2+][C@@H](C)CCNC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC001326367750 1046901496 /nfs/dbraw/zinc/90/14/96/1046901496.db2.gz GSIPGLKKYCYODA-UONOGXRCSA-N 1 0 371.441 2.891 20 5 FFBDRO CN1CCO[C@@H](CSc2ncnc3c(Cl)cc([N+](=O)[O-])cc23)C1 ZINC001327713247 1048008514 /nfs/dbraw/zinc/00/85/14/1048008514.db2.gz ABXCGZFMWHXNLN-SNVBAGLBSA-N 1 0 354.819 2.614 20 5 FFBDRO CC[N@@H+]1CCC[C@@H](CN[C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC001327891853 1048084845 /nfs/dbraw/zinc/08/48/45/1048084845.db2.gz PFMQLQZQQWDLQM-YJBOKZPZSA-N 1 0 357.458 2.739 20 5 FFBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CCN(c2cnn(C)c2)C1 ZINC001329642208 1048826535 /nfs/dbraw/zinc/82/65/35/1048826535.db2.gz GEEGCALOIMFIKS-OLZOCXBDSA-N 1 0 361.471 2.980 20 5 FFBDRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)Cc2cccc(F)c2[N+](=O)[O-])C1 ZINC001540934015 1071034868 /nfs/dbraw/zinc/03/48/68/1071034868.db2.gz DJXHAEVWBHSHGC-KBPBESRZSA-N 1 0 351.422 2.761 20 5 FFBDRO COC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Br)[C@@H]1CCCOC1 ZINC001333630729 1049016376 /nfs/dbraw/zinc/01/63/76/1049016376.db2.gz JNEWYLJOKNSNHW-DOMZBBRYSA-N 1 0 373.247 2.889 20 5 FFBDRO O=C(NCc1ccc(Br)cc1[N+](=O)[O-])C12CCC[NH+]1CCC2 ZINC001333679858 1049050281 /nfs/dbraw/zinc/05/02/81/1049050281.db2.gz MBSTWXZNPPIFSQ-UHFFFAOYSA-N 1 0 368.231 2.602 20 5 FFBDRO C[NH2+]C[C@H]1CCCCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001333683352 1049052481 /nfs/dbraw/zinc/05/24/81/1049052481.db2.gz MRKJUJZBQJAPFH-CQSZACIVSA-N 1 0 360.439 2.932 20 5 FFBDRO C[NH+](C)[C@H](CNC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC001330157326 1049062224 /nfs/dbraw/zinc/06/22/24/1049062224.db2.gz NOGKRCWTIGATCF-GOSISDBHSA-N 1 0 354.410 2.923 20 5 FFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@]2(CCN(c3ccncc3[N+](=O)[O-])C2)O1 ZINC001330829258 1049350795 /nfs/dbraw/zinc/35/07/95/1049350795.db2.gz JRXKTHHIRXNDMR-UZLBHIALSA-N 1 0 368.437 2.860 20 5 FFBDRO CC[C@H](C)[N@H+](C)CCNC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC001292799435 1049396133 /nfs/dbraw/zinc/39/61/33/1049396133.db2.gz IKSIRQHPAFPBEV-NSHDSACASA-N 1 0 372.263 2.746 20 5 FFBDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)C1 ZINC001295339887 1049917612 /nfs/dbraw/zinc/91/76/12/1049917612.db2.gz WEWNOGFHKNQIES-GFCCVEGCSA-N 1 0 368.865 2.928 20 5 FFBDRO CCOc1ccccc1[C@@H]([NH3+])CC(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC001341562420 1050191219 /nfs/dbraw/zinc/19/12/19/1050191219.db2.gz SMRUPTIYZKFMJK-HNNXBMFYSA-N 1 0 355.394 2.973 20 5 FFBDRO O=C(N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC001341577116 1050203447 /nfs/dbraw/zinc/20/34/47/1050203447.db2.gz WUUYXDNIHHLHES-QFBILLFUSA-N 1 0 353.378 2.581 20 5 FFBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)CCc3c(Cl)cccc3[N+](=O)[O-])C[C@H]21 ZINC001341643904 1050270511 /nfs/dbraw/zinc/27/05/11/1050270511.db2.gz PYSXDZMGHODMTI-UXIGCNINSA-N 1 0 351.834 2.767 20 5 FFBDRO Cc1c(C(=O)N[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cccc1[N+](=O)[O-] ZINC001342231137 1050820853 /nfs/dbraw/zinc/82/08/53/1050820853.db2.gz FSUJWRXXGKKICK-UZLBHIALSA-N 1 0 367.405 2.889 20 5 FFBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC1 ZINC001342772048 1051383624 /nfs/dbraw/zinc/38/36/24/1051383624.db2.gz NDCUCRWRXJEHEQ-JKSUJKDBSA-N 1 0 372.469 2.513 20 5 FFBDRO C[C@H]1[C@@H](NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC001303802579 1051451862 /nfs/dbraw/zinc/45/18/62/1051451862.db2.gz ZLAZBNOHIFUZHB-JQWIXIFHSA-N 1 0 374.363 2.624 20 5 FFBDRO O=C(NC[C@H]1CCCCC[NH2+]1)c1ccc([N+](=O)[O-])cc1Br ZINC001341439142 1051795611 /nfs/dbraw/zinc/79/56/11/1051795611.db2.gz UPUPLVWRLUVCQN-SNVBAGLBSA-N 1 0 356.220 2.619 20 5 FFBDRO COCC[NH+]1CCC(Nc2c3cc(Cl)ccc3ncc2[N+](=O)[O-])CC1 ZINC001306943683 1052225734 /nfs/dbraw/zinc/22/57/34/1052225734.db2.gz OEMIOKADPAIGJS-UHFFFAOYSA-N 1 0 364.833 2.741 20 5 FFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@]12C[C@H]1COC21CCC1 ZINC001345089633 1052251327 /nfs/dbraw/zinc/25/13/27/1052251327.db2.gz INFVFSAYFZHKEQ-SUNYJGFJSA-N 1 0 359.426 2.861 20 5 FFBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCCC[C@@H]1Cc1ccc(O)cc1 ZINC001308148778 1052417136 /nfs/dbraw/zinc/41/71/36/1052417136.db2.gz ILMLRAZUTJKNFJ-MRXNPFEDSA-N 1 0 357.410 2.559 20 5 FFBDRO CC(C)n1cc2c(n1)[C@@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)CCC2 ZINC001345632003 1052548340 /nfs/dbraw/zinc/54/83/40/1052548340.db2.gz DOOAGMJEPQEGDD-AEFFLSMTSA-N 1 0 374.441 2.779 20 5 FFBDRO O=C(O[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC001345925568 1052673384 /nfs/dbraw/zinc/67/33/84/1052673384.db2.gz UGOXXYGAUGYNAB-STQMWFEESA-N 1 0 362.382 2.540 20 5 FFBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)OC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC001344369179 1052737631 /nfs/dbraw/zinc/73/76/31/1052737631.db2.gz UHBASTMHXQFWIU-AWEZNQCLSA-N 1 0 366.439 2.727 20 5 FFBDRO COc1ccc([C@@H](CN(C)C)[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC001335414553 1053347238 /nfs/dbraw/zinc/34/72/38/1053347238.db2.gz YUXPQRAPGUFFDG-MOPGFXCFSA-N 1 0 359.426 2.529 20 5 FFBDRO CS[C@@H]1CCCC[C@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC001335469179 1053385296 /nfs/dbraw/zinc/38/52/96/1053385296.db2.gz YQRVHASEEDQVCT-HUUCEWRRSA-N 1 0 358.485 2.632 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)c(C(F)(F)F)c1 ZINC001335565340 1053439254 /nfs/dbraw/zinc/43/92/54/1053439254.db2.gz HYZISUMGJLTTMR-HUUCEWRRSA-N 1 0 359.348 2.649 20 5 FFBDRO COc1c(O)ccc(CNc2ccc(N3CC[NH+](C)CC3)cc2)c1[N+](=O)[O-] ZINC001336699421 1054148099 /nfs/dbraw/zinc/14/80/99/1054148099.db2.gz ZHOUUZKLMSSLRO-UHFFFAOYSA-N 1 0 372.425 2.673 20 5 FFBDRO COc1cccc(N2CCC([NH2+]C3CC(n4cc([N+](=O)[O-])cn4)C3)CC2)c1 ZINC001336732974 1054175246 /nfs/dbraw/zinc/17/52/46/1054175246.db2.gz UTLOVNSTPAWTJF-UHFFFAOYSA-N 1 0 371.441 2.762 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(C[NH2+]CCN2CC[C@@H](O)C2)o1 ZINC001351619399 1054923663 /nfs/dbraw/zinc/92/36/63/1054923663.db2.gz LYKDQZRUPWDLEV-CYBMUJFWSA-N 1 0 365.817 2.664 20 5 FFBDRO O=[N+]([O-])c1cnc2ccc(Cl)cc2c1N1CC[NH+](CCCCO)CC1 ZINC001351974485 1055095309 /nfs/dbraw/zinc/09/53/09/1055095309.db2.gz GRVXYUPVSHESER-UHFFFAOYSA-N 1 0 364.833 2.691 20 5 FFBDRO CCn1c([C@H](C)[N+](=O)[O-])nnc1N1CC[N@H+](Cc2ccccc2)C[C@H](C)C1 ZINC001356351817 1055468146 /nfs/dbraw/zinc/46/81/46/1055468146.db2.gz NFAVJXSMPDLNMD-HOTGVXAUSA-N 1 0 372.473 2.594 20 5 FFBDRO C[C@](O)(C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1Cl ZINC001338505796 1055577513 /nfs/dbraw/zinc/57/75/13/1055577513.db2.gz LKWLCXXUVWWYMZ-SJORKVTESA-N 1 0 350.802 2.779 20 5 FFBDRO Cn1ccnc1[C@H](Cc1ccccc1)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001356620126 1055618895 /nfs/dbraw/zinc/61/88/95/1055618895.db2.gz CDMICLXZJZQYPU-RBUKOAKNSA-N 1 0 366.421 2.935 20 5 FFBDRO C[NH2+]C[C@@H]1CCCCN1C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001338594379 1055652238 /nfs/dbraw/zinc/65/22/38/1055652238.db2.gz DUZGRGGZARLUMW-ZDUSSCGKSA-N 1 0 374.363 2.897 20 5 FFBDRO COc1ccc(NC(=O)N2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC001352777923 1055785302 /nfs/dbraw/zinc/78/53/02/1055785302.db2.gz WGHPEUMTSJEEFM-GUTXKFCHSA-N 1 0 362.430 2.797 20 5 FFBDRO C[C@H](COc1c(F)cccc1F)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001357240920 1055838666 /nfs/dbraw/zinc/83/86/66/1055838666.db2.gz DSTOVTCXBRNSDZ-BDJLRTHQSA-N 1 0 352.337 2.964 20 5 FFBDRO O=C([C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC001357618207 1055965327 /nfs/dbraw/zinc/96/53/27/1055965327.db2.gz CZVSUDWGUFILEV-OTWHNJEPSA-N 1 0 351.406 2.871 20 5 FFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)c1 ZINC001358118031 1056146899 /nfs/dbraw/zinc/14/68/99/1056146899.db2.gz CEZGPRDFKNOMAX-GHMZBOCLSA-N 1 0 363.361 2.668 20 5 FFBDRO COc1cc(C(=O)N2C[C@H](C[NH3+])Cc3cc(F)ccc32)cc([N+](=O)[O-])c1C ZINC001358148224 1056162348 /nfs/dbraw/zinc/16/23/48/1056162348.db2.gz KQAXGZKOEILLFH-LBPRGKRZSA-N 1 0 373.384 2.829 20 5 FFBDRO [NH2+]=C(NCCOc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCOc2ccccc21 ZINC000849100165 1056760447 /nfs/dbraw/zinc/76/04/47/1056760447.db2.gz ZWOQMVDXMBUBOD-MRXNPFEDSA-N 1 0 356.382 2.611 20 5 FFBDRO O=C(CCc1cc(F)ccc1[N+](=O)[O-])NCc1cccc2c1CC[NH2+]C2 ZINC001354475785 1059048741 /nfs/dbraw/zinc/04/87/41/1059048741.db2.gz WOEQGHVJAOJTAW-UHFFFAOYSA-N 1 0 357.385 2.629 20 5 FFBDRO C[C@@H](C(=O)N1CC[NH2+][C@@H](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC001454585205 1059574875 /nfs/dbraw/zinc/57/48/75/1059574875.db2.gz VYWPYWPAARYBCV-QAPCUYQASA-N 1 0 353.422 2.741 20 5 FFBDRO C[C@H](C(=O)N1CC[NH2+][C@H](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC001454584339 1059575896 /nfs/dbraw/zinc/57/58/96/1059575896.db2.gz VYWPYWPAARYBCV-MAUKXSAKSA-N 1 0 353.422 2.741 20 5 FFBDRO CC[NH+](CC)[C@H](C)Cn1c(C)nnc1N(C)Cc1ccccc1[N+](=O)[O-] ZINC001515498922 1059679361 /nfs/dbraw/zinc/67/93/61/1059679361.db2.gz CHEPLOAFVJFPHQ-CQSZACIVSA-N 1 0 360.462 2.861 20 5 FFBDRO C[N@H+](CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O)C1Cc2ccccc2C1 ZINC000848475477 1060095108 /nfs/dbraw/zinc/09/51/08/1060095108.db2.gz PMCUVRUMTVIOFG-FQEVSTJZSA-N 1 0 365.433 2.967 20 5 FFBDRO CC[NH+](CC)C[C@@H]1CCN(CN2CC[C@H](c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000848480480 1060113848 /nfs/dbraw/zinc/11/38/48/1060113848.db2.gz MZWZITJIAMATCP-QFBILLFUSA-N 1 0 374.485 2.532 20 5 FFBDRO COC(=O)[C@]1(C)CCC[N@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C1 ZINC000848488836 1060143602 /nfs/dbraw/zinc/14/36/02/1060143602.db2.gz NANDQKXQZMQDQS-GOSISDBHSA-N 1 0 358.398 2.691 20 5 FFBDRO O=[N+]([O-])c1c(NC[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)nc2ccccn21 ZINC001458607416 1060632061 /nfs/dbraw/zinc/63/20/61/1060632061.db2.gz RARIKONUWXDZKL-GJZGRUSLSA-N 1 0 359.430 2.545 20 5 FFBDRO O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000848783795 1060687784 /nfs/dbraw/zinc/68/77/84/1060687784.db2.gz CYSGIBPJPMTPNY-ROUUACIJSA-N 1 0 358.442 2.916 20 5 FFBDRO C[C@@H](C[N@H+](C)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])CC(C)(C)C ZINC001460296184 1060946051 /nfs/dbraw/zinc/94/60/51/1060946051.db2.gz OVCSOJVADHDUAU-CQSZACIVSA-N 1 0 371.503 2.877 20 5 FFBDRO O=C([C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001521546929 1060954450 /nfs/dbraw/zinc/95/44/50/1060954450.db2.gz OEGFJHYFRRCHFF-RNIPGJKVSA-N 1 0 357.454 2.937 20 5 FFBDRO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001460602329 1061028082 /nfs/dbraw/zinc/02/80/82/1061028082.db2.gz AFOQLRRWBKNWFY-IVMMDQJWSA-N 1 0 365.430 2.616 20 5 FFBDRO C[N@H+](CCCC(=O)OC(C)(C)C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001460895857 1061141619 /nfs/dbraw/zinc/14/16/19/1061141619.db2.gz FHVSXOMVKMDNNY-UHFFFAOYSA-N 1 0 365.430 2.977 20 5 FFBDRO CCOc1ccc(NC(=O)C[NH2+][C@H]2CCOC23CCCC3)c([N+](=O)[O-])c1 ZINC001460910135 1061147548 /nfs/dbraw/zinc/14/75/48/1061147548.db2.gz RKVKEXKUFWDDIS-INIZCTEOSA-N 1 0 363.414 2.623 20 5 FFBDRO C[C@H]([NH2+][C@@H]1CCOC12CCOCC2)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001460915690 1061149581 /nfs/dbraw/zinc/14/95/81/1061149581.db2.gz JHLKOUTVHHQBBY-SWLSCSKDSA-N 1 0 374.397 2.634 20 5 FFBDRO O=C([C@@H]1CC[NH2+][C@@H]([C@H]2CCCO2)C1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001521864810 1061178624 /nfs/dbraw/zinc/17/86/24/1061178624.db2.gz PLRCVCZMVSWXIP-ATZDWAIDSA-N 1 0 373.453 2.633 20 5 FFBDRO C[C@@H](C[NH2+]Cc1c(Br)cccc1[N+](=O)[O-])Cn1ccnc1 ZINC001461157721 1061228598 /nfs/dbraw/zinc/22/85/98/1061228598.db2.gz SDOVFJYEALGOSD-NSHDSACASA-N 1 0 353.220 2.980 20 5 FFBDRO O=C(CCc1cc(F)ccc1[N+](=O)[O-])N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC001521932624 1061275207 /nfs/dbraw/zinc/27/52/07/1061275207.db2.gz WOVJVCWITHCYFM-MRXNPFEDSA-N 1 0 363.433 2.905 20 5 FFBDRO Cc1cc(S(=O)(=O)NCCC[N@H+]2CCCC[C@@H]2C)c(C)cc1[N+](=O)[O-] ZINC001462737522 1061751129 /nfs/dbraw/zinc/75/11/29/1061751129.db2.gz CWBWFRCHAFAYOV-HNNXBMFYSA-N 1 0 369.487 2.754 20 5 FFBDRO CC(C)[N@H+](C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)C1CC1 ZINC001360104218 1061891820 /nfs/dbraw/zinc/89/18/20/1061891820.db2.gz NDCUKIBBSSYEGQ-UHFFFAOYSA-N 1 0 358.446 2.792 20 5 FFBDRO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CCc3ccc([N+](=O)[O-])cc3Cl)[C@@H]2C1 ZINC001522551311 1062208912 /nfs/dbraw/zinc/20/89/12/1062208912.db2.gz PHWQDWQERHOZRK-JGGQBBKZSA-N 1 0 351.834 2.637 20 5 FFBDRO C[NH+](C)CCOc1cc(NC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)ccn1 ZINC001435739413 1062550988 /nfs/dbraw/zinc/55/09/88/1062550988.db2.gz KWNVTPUQEQRYGC-DLBZAZTESA-N 1 0 370.409 2.672 20 5 FFBDRO Nc1c(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc2ccccc2c1[N+](=O)[O-] ZINC001464364837 1062570138 /nfs/dbraw/zinc/57/01/38/1062570138.db2.gz QFAWYOTVBWDKMP-LBPRGKRZSA-N 1 0 354.410 2.544 20 5 FFBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)C1 ZINC001464546453 1062678556 /nfs/dbraw/zinc/67/85/56/1062678556.db2.gz SPFKVKCQUNYXMO-JTQLQIEISA-N 1 0 372.828 2.820 20 5 FFBDRO CC[NH+]1CCN(c2cc(N(C)C(=O)CC3CCC3)cc([N+](=O)[O-])c2)CC1 ZINC001531641998 1062835005 /nfs/dbraw/zinc/83/50/05/1062835005.db2.gz WXMJIHDBXDFYFR-UHFFFAOYSA-N 1 0 360.458 2.890 20 5 FFBDRO C[C@@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC001437872609 1062921221 /nfs/dbraw/zinc/92/12/21/1062921221.db2.gz NXLIDCOWUQOUFO-HZPDHXFCSA-N 1 0 362.474 2.752 20 5 FFBDRO CC[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ccc(Cl)cc1C ZINC001479843524 1063003821 /nfs/dbraw/zinc/00/38/21/1063003821.db2.gz HGZRLZJDWKJUFV-HZPDHXFCSA-N 1 0 353.850 2.642 20 5 FFBDRO C[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](C)[C@H](C)C1)[NH+](C)C ZINC001494227178 1063305607 /nfs/dbraw/zinc/30/56/07/1063305607.db2.gz ILRVWYHXDAYYIV-KFWWJZLASA-N 1 0 372.473 2.896 20 5 FFBDRO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001440676292 1063333865 /nfs/dbraw/zinc/33/38/65/1063333865.db2.gz MTTGWDCQYAYHCJ-VIFPVBQESA-N 1 0 369.834 2.600 20 5 FFBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)N[C@@H]3C[C@@H]4CCC[C@@H]34)c2)CC1 ZINC001467374293 1063726821 /nfs/dbraw/zinc/72/68/21/1063726821.db2.gz YSBGJVFSXXPZED-NUEKZKHPSA-N 1 0 373.457 2.657 20 5 FFBDRO CC[N@H+](C)[C@H]1CCN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001469560225 1064168213 /nfs/dbraw/zinc/16/82/13/1064168213.db2.gz QVWOPMLJGOQXLI-AWEZNQCLSA-N 1 0 354.838 2.526 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH2+][C@H](Cc3ccc(F)cc3)C2)c1 ZINC001470643995 1064396203 /nfs/dbraw/zinc/39/62/03/1064396203.db2.gz ZHSHCKPOUHCDCV-MRXNPFEDSA-N 1 0 357.385 2.699 20 5 FFBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCCCC[C@H]([NH3+])C1 ZINC001575071059 1078102496 /nfs/dbraw/zinc/10/24/96/1078102496.db2.gz GRIIUFCDZWVDIF-NEPJUHHUSA-N 1 0 354.838 2.779 20 5 FFBDRO CCOC(=O)CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C(C)C ZINC001473592513 1065295212 /nfs/dbraw/zinc/29/52/12/1065295212.db2.gz BNJHXTKPSIUZTJ-UHFFFAOYSA-N 1 0 365.430 2.895 20 5 FFBDRO COc1ccc(CC[NH2+]Cc2cc(OC)c(O)cc2[N+](=O)[O-])c(OC)c1 ZINC001473966680 1065429872 /nfs/dbraw/zinc/42/98/72/1065429872.db2.gz SRZLGQURTWSCTI-UHFFFAOYSA-N 1 0 362.382 2.659 20 5 FFBDRO C[C@H]1[NH2+]CC[C@@H]1NC(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC001576592688 1078246624 /nfs/dbraw/zinc/24/66/24/1078246624.db2.gz RPBHCQCQTNOZEU-CTASWTNQSA-N 1 0 360.458 2.557 20 5 FFBDRO CC[C@H]1[C@H](C)CCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[NH2+]C ZINC001577237400 1078321749 /nfs/dbraw/zinc/32/17/49/1078321749.db2.gz SVXDQQUZVAMPGT-CJNGLKHVSA-N 1 0 358.446 2.698 20 5 FFBDRO CC[C@H]1[C@H](C)CCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H](C)[NH3+] ZINC001577237415 1078321866 /nfs/dbraw/zinc/32/18/66/1078321866.db2.gz TXKKIEXLEBGRBN-IOASZLSFSA-N 1 0 358.446 2.825 20 5 FFBDRO CN(CCCCCC[NH3+])C(=O)c1cc([N+](=O)[O-])ccc1Br ZINC001578464947 1078476648 /nfs/dbraw/zinc/47/66/48/1078476648.db2.gz GHLUFBNWQNSMBS-UHFFFAOYSA-N 1 0 358.236 2.948 20 5 FFBDRO CN(OC1CCCC1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCC[NH3+] ZINC001578506807 1078485428 /nfs/dbraw/zinc/48/54/28/1078485428.db2.gz YPFZRKJIOSKDPA-UHFFFAOYSA-N 1 0 360.418 2.513 20 5 FFBDRO C[NH2+][C@@H](C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CCC(C)C ZINC001578576393 1078493053 /nfs/dbraw/zinc/49/30/53/1078493053.db2.gz VTVBLTOJDHXOPK-AWEZNQCLSA-N 1 0 360.462 2.944 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC([C@H]2[NH2+]CC23CCC3)CC1 ZINC001579178707 1078581273 /nfs/dbraw/zinc/58/12/73/1078581273.db2.gz ATZMOWFRSJMXCN-QGZVFWFLSA-N 1 0 359.426 2.598 20 5 FFBDRO COc1ccc(NC(=O)NCC[C@@H]([NH3+])Cc2ccccc2)cc1[N+](=O)[O-] ZINC001579228467 1078594257 /nfs/dbraw/zinc/59/42/57/1078594257.db2.gz KOIBBVATATXKHL-CQSZACIVSA-N 1 0 358.398 2.685 20 5 FFBDRO C[C@@H]([NH3+])Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H]1C1CCC1 ZINC001579401909 1078625604 /nfs/dbraw/zinc/62/56/04/1078625604.db2.gz FAOIGDZSHVMHSC-CXAGYDPISA-N 1 0 370.457 2.969 20 5 FFBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC001579515898 1078638249 /nfs/dbraw/zinc/63/82/49/1078638249.db2.gz FEZMJZSXVHASDN-UWVGGRQHSA-N 1 0 356.220 2.523 20 5 FFBDRO Cc1c(NC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)cc([N+](=O)[O-])cc1C(F)(F)F ZINC001579541886 1078641570 /nfs/dbraw/zinc/64/15/70/1078641570.db2.gz JAWLPEVWZJAHEU-YDEJPDAXSA-N 1 0 358.320 2.936 20 5 FFBDRO Cc1ccc(CNC(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC001579695686 1078664222 /nfs/dbraw/zinc/66/42/22/1078664222.db2.gz JTNIHNPYPKBYSO-DOTOQJQBSA-N 1 0 372.400 2.679 20 5 FFBDRO [NH3+][C@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)c1ccc(C(F)(F)F)cc1 ZINC001580113773 1078751732 /nfs/dbraw/zinc/75/17/32/1078751732.db2.gz OINOHEMOCFVZLC-AWEZNQCLSA-N 1 0 353.300 2.930 20 5 FFBDRO [NH3+]C[C@@]12CC[C@@H]1CCCN2C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC001580250196 1078774381 /nfs/dbraw/zinc/77/43/81/1078774381.db2.gz HMNREIGLADQXOG-LRDDRELGSA-N 1 0 352.822 2.661 20 5 FFBDRO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC12CC[NH2+]CC2 ZINC001580761514 1078854923 /nfs/dbraw/zinc/85/49/23/1078854923.db2.gz UESSAVYDPSBQEZ-UHFFFAOYSA-N 1 0 356.329 2.556 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1C[N@@H+]1CCC=C(c2ccco2)C1 ZINC001582804025 1079110183 /nfs/dbraw/zinc/11/01/83/1079110183.db2.gz FZHKSRSNENYEIX-UHFFFAOYSA-N 1 0 352.354 2.657 20 5 FFBDRO Nc1c(Cl)cc(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC001583145778 1079170752 /nfs/dbraw/zinc/17/07/52/1079170752.db2.gz UCQJEYMCEKGFPA-QWHCGFSZSA-N 1 0 352.822 2.577 20 5 FFBDRO C[NH+](C)Cc1ccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)c(F)c1 ZINC001557008901 1075798476 /nfs/dbraw/zinc/79/84/76/1075798476.db2.gz WGIQTIQNKXMOSX-UHFFFAOYSA-N 1 0 350.325 2.769 20 5 FFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC001557740129 1075882686 /nfs/dbraw/zinc/88/26/86/1075882686.db2.gz DIGIGJPETBVUMM-MORSLUCNSA-N 1 0 363.483 2.876 20 5 FFBDRO C[N@@H+]1C[C@H](NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])C(C)(C)C1 ZINC001558504666 1076019964 /nfs/dbraw/zinc/01/99/64/1076019964.db2.gz SYZMVPBLMWIWBZ-HNNXBMFYSA-N 1 0 354.410 2.727 20 5 FFBDRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 ZINC001558713978 1076061391 /nfs/dbraw/zinc/06/13/91/1076061391.db2.gz UTHDXGMJPSMZBM-KRWDZBQOSA-N 1 0 373.457 2.546 20 5 FFBDRO C[C@@H]1COCC[C@@H]1[NH2+]Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001559746903 1076187770 /nfs/dbraw/zinc/18/77/70/1076187770.db2.gz NAEHVJLIQMCLTN-SKDRFNHKSA-N 1 0 352.778 2.813 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC001559930460 1076203312 /nfs/dbraw/zinc/20/33/12/1076203312.db2.gz UCPGWHGEHYHTGR-ZIAGYGMSSA-N 1 0 367.450 2.525 20 5 FFBDRO CS(=O)(=O)CC1(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC001560369300 1076267923 /nfs/dbraw/zinc/26/79/23/1076267923.db2.gz SMPBBHXILYTXSN-UHFFFAOYSA-N 1 0 364.423 2.769 20 5 FFBDRO C[C@]1(Br)C[C@@H]1C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001560695798 1076292666 /nfs/dbraw/zinc/29/26/66/1076292666.db2.gz VEKDDOZUVLGXGT-DOMZBBRYSA-N 1 0 354.248 2.890 20 5 FFBDRO CC[N@H+](CCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC001561720270 1076412571 /nfs/dbraw/zinc/41/25/71/1076412571.db2.gz FFVHZCFLWJDRGN-UHFFFAOYSA-N 1 0 369.487 2.918 20 5 FFBDRO CC[N@@H+]1CCN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC001562575487 1076504708 /nfs/dbraw/zinc/50/47/08/1076504708.db2.gz PWPQJFHCQYAUOV-JTQLQIEISA-N 1 0 371.235 2.915 20 5 FFBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC001565715640 1076756729 /nfs/dbraw/zinc/75/67/29/1076756729.db2.gz NTTLAMMKFPQFMK-VIFPVBQESA-N 1 0 358.801 2.574 20 5 FFBDRO CN(C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001568917199 1077118296 /nfs/dbraw/zinc/11/82/96/1077118296.db2.gz GJZDVDRFZSPGLJ-PBWFPOADSA-N 1 0 351.834 2.874 20 5 FFBDRO Cc1ccc(C[NH2+]CCN(Cc2ccccc2)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001569869611 1077169415 /nfs/dbraw/zinc/16/94/15/1077169415.db2.gz ZCLQCCNURFIRBI-WOJBJXKFSA-N 1 0 367.449 2.779 20 5 FFBDRO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001570017408 1077177425 /nfs/dbraw/zinc/17/74/25/1077177425.db2.gz MUANMAAOSYJEOF-VQIMIIECSA-N 1 0 366.421 2.934 20 5 FFBDRO C[N@@H+]1CCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C[C@H]1C(C)(C)C ZINC001570910773 1077241927 /nfs/dbraw/zinc/24/19/27/1077241927.db2.gz RUGIYHDHILTPNK-KRWDZBQOSA-N 1 0 371.441 2.583 20 5 FFBDRO C[NH+](C)[C@@H]1C[C@@H](NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C12CCC2 ZINC001585899135 1079511245 /nfs/dbraw/zinc/51/12/45/1079511245.db2.gz IJZKGJPFIAZEAF-IAGOWNOFSA-N 1 0 369.425 2.588 20 5 FFBDRO CC(C)([NH2+]CCc1ccc(-c2nn[nH]n2)cc1)c1ccccc1[N+](=O)[O-] ZINC001589321707 1080482037 /nfs/dbraw/zinc/48/20/37/1080482037.db2.gz LNEHBRBPDXMBAP-UHFFFAOYSA-N 1 0 352.398 2.842 20 5 FFBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000109286423 209302655 /nfs/dbraw/zinc/30/26/55/209302655.db2.gz QLNPDCZVFROJDF-LSDHHAIUSA-N 1 0 371.441 2.631 20 5 FFBDRO COc1cccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2F)[NH+](C)C)c1 ZINC000054059867 249525507 /nfs/dbraw/zinc/52/55/07/249525507.db2.gz XUSDURAOIKEHBK-QGZVFWFLSA-N 1 0 361.373 2.775 20 5 FFBDRO C[N@@H+]1CCCC[C@H]1CN1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000093146932 250020373 /nfs/dbraw/zinc/02/03/73/250020373.db2.gz AMTNCQZPQKAXQW-FNQPIQQGSA-N 1 0 358.486 2.710 20 5 FFBDRO C[C@H](Nc1ccc(C(=O)N[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000120143000 250552573 /nfs/dbraw/zinc/55/25/73/250552573.db2.gz YGUPRFUGJHUEMU-ZFWWWQNUSA-N 1 0 369.425 2.645 20 5 FFBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)NCCc3ccc(Cl)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000272474561 252048031 /nfs/dbraw/zinc/04/80/31/252048031.db2.gz IRGQZQWHUKLYML-XJKSGUPXSA-N 1 0 366.849 2.526 20 5 FFBDRO C[NH+]1CCC(C)(CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000272507625 252054757 /nfs/dbraw/zinc/05/47/57/252054757.db2.gz IGYQTACJZZEZTH-UHFFFAOYSA-N 1 0 370.247 2.819 20 5 FFBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3Br)[C@H]2C1 ZINC000272697274 252106952 /nfs/dbraw/zinc/10/69/52/252106952.db2.gz YATUKULQLRCZTN-HZMBPMFUSA-N 1 0 368.231 2.524 20 5 FFBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000273531258 252324335 /nfs/dbraw/zinc/32/43/35/252324335.db2.gz QXMHGOKFRJYJTA-ZDUSSCGKSA-N 1 0 369.487 2.508 20 5 FFBDRO Cc1c(NC(=O)CCN2C[C@@H]([NH+]3CCCC3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000285706857 257000853 /nfs/dbraw/zinc/00/08/53/257000853.db2.gz WENXHQLBWCYLER-ZBFHGGJFSA-N 1 0 360.458 2.790 20 5 FFBDRO COc1cc(C[NH2+][C@@H]2CCC[C@@H]2CCO)c([N+](=O)[O-])cc1OC(F)F ZINC000275056929 255951435 /nfs/dbraw/zinc/95/14/35/255951435.db2.gz NPACDYJRTGJYSE-ZYHUDNBSSA-N 1 0 360.357 2.846 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCCN(CC(=O)N2CCCC2)CC1 ZINC000276141740 256075856 /nfs/dbraw/zinc/07/58/56/256075856.db2.gz OPCUUBLANGODRF-KRWDZBQOSA-N 1 0 374.485 2.594 20 5 FFBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000285763685 257003460 /nfs/dbraw/zinc/00/34/60/257003460.db2.gz ZQFMTFAEEFNTCE-OCCSQVGLSA-N 1 0 366.849 2.745 20 5 FFBDRO COc1cc(C[N@H+](C)CCCCO)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000276613382 256114873 /nfs/dbraw/zinc/11/48/73/256114873.db2.gz GWOQXSKSKVUOPA-UHFFFAOYSA-N 1 0 366.336 2.749 20 5 FFBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 ZINC000277392183 256192722 /nfs/dbraw/zinc/19/27/22/256192722.db2.gz XMCGENDYWMYGRK-MRXNPFEDSA-N 1 0 360.458 2.751 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000277571356 256212605 /nfs/dbraw/zinc/21/26/05/256212605.db2.gz OACRNYQVYVVPIY-HNNXBMFYSA-N 1 0 363.458 2.751 20 5 FFBDRO O=C(CC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)Nc1ccccc1[N+](=O)[O-] ZINC000278495756 256318717 /nfs/dbraw/zinc/31/87/17/256318717.db2.gz ABKISLWSYDHFNK-XWIAVFTESA-N 1 0 359.426 2.861 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@H](CC(F)(F)F)C1 ZINC000278674532 256336745 /nfs/dbraw/zinc/33/67/45/256336745.db2.gz IJCZENKJXWMJCV-JTQLQIEISA-N 1 0 361.320 2.816 20 5 FFBDRO COC[C@@H](c1ccc(Cl)cc1)[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000278892263 256359241 /nfs/dbraw/zinc/35/92/41/256359241.db2.gz IXSZQXAPEXVADW-INIZCTEOSA-N 1 0 365.817 2.729 20 5 FFBDRO C[NH+](C)C[C@H]1CCN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000279099921 256381221 /nfs/dbraw/zinc/38/12/21/256381221.db2.gz USMRLJXKZYGKAF-LLVKDONJSA-N 1 0 374.363 2.707 20 5 FFBDRO C[NH2+]C(C)(C)CNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000280806040 256569943 /nfs/dbraw/zinc/56/99/43/256569943.db2.gz RWVLIZOELMONSE-UHFFFAOYSA-N 1 0 359.224 2.785 20 5 FFBDRO COc1ccc([C@H](C[NH+](C)C)NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000285866217 257008471 /nfs/dbraw/zinc/00/84/71/257008471.db2.gz BGZRFFKQGLPEDX-INIZCTEOSA-N 1 0 373.409 2.645 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCCC[C@H]1C[C@@H](C)O ZINC000286210666 257025915 /nfs/dbraw/zinc/02/59/15/257025915.db2.gz YHLMSFCRRCQTDN-KGLIPLIRSA-N 1 0 365.430 2.557 20 5 FFBDRO CCCN(CC[NH+]1CCCCC1)C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000286285925 257029616 /nfs/dbraw/zinc/02/96/16/257029616.db2.gz ROHVLZNYCFCHGD-UHFFFAOYSA-N 1 0 352.410 2.654 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000286667097 257048681 /nfs/dbraw/zinc/04/86/81/257048681.db2.gz UXLLRWWVENPUFZ-OCCSQVGLSA-N 1 0 362.348 2.986 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)n1 ZINC000286857160 257058988 /nfs/dbraw/zinc/05/89/88/257058988.db2.gz MREJXVMGTLGMSI-STQMWFEESA-N 1 0 362.430 2.841 20 5 FFBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCCCNc1ccccn1 ZINC000287494602 257092368 /nfs/dbraw/zinc/09/23/68/257092368.db2.gz RHAFLBKKGUZKPX-UHFFFAOYSA-N 1 0 357.414 2.676 20 5 FFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCC1(O)CCOCC1 ZINC000287507408 257093075 /nfs/dbraw/zinc/09/30/75/257093075.db2.gz NZSOIJIPTBNWEY-CQSZACIVSA-N 1 0 354.472 2.987 20 5 FFBDRO Cc1cnn([C@@H]2CC[N@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)C2)c1 ZINC000289865337 257303511 /nfs/dbraw/zinc/30/35/11/257303511.db2.gz LLCWKZJGSBHRCI-CQSZACIVSA-N 1 0 361.377 2.514 20 5 FFBDRO NC(=O)c1ccnc(NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)c1[N+](=O)[O-] ZINC000290698562 257353384 /nfs/dbraw/zinc/35/33/84/257353384.db2.gz VOTJZNMSRXZJDF-AWEZNQCLSA-N 1 0 361.446 2.545 20 5 FFBDRO COc1cc(CN2CC[C@H](n3cc(Cl)cn3)C2)c([N+](=O)[O-])cc1OC ZINC000290839993 257360504 /nfs/dbraw/zinc/36/05/04/257360504.db2.gz IEQNFYQCLJZDQU-ZDUSSCGKSA-N 1 0 366.805 2.909 20 5 FFBDRO C[C@H]1CCC[N@H+](CCNc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C1 ZINC000301116398 258026874 /nfs/dbraw/zinc/02/68/74/258026874.db2.gz PVVIZTYSMWCOHV-HNNXBMFYSA-N 1 0 360.458 2.975 20 5 FFBDRO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNc3ccccc3[N+](=O)[O-])c2)C1 ZINC000301204949 258034041 /nfs/dbraw/zinc/03/40/41/258034041.db2.gz OSTBLXSQVJXBPI-KRWDZBQOSA-N 1 0 368.437 2.904 20 5 FFBDRO COc1ccccc1[C@@H](CNc1c([N+](=O)[O-])c(C)nn1C)[NH+]1CCCC1 ZINC000301294787 258041002 /nfs/dbraw/zinc/04/10/02/258041002.db2.gz RQEBZKLLPQMUDL-OAHLLOKOSA-N 1 0 359.430 2.894 20 5 FFBDRO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCC([NH+]2CCCCC2)CC1 ZINC000299421497 257992660 /nfs/dbraw/zinc/99/26/60/257992660.db2.gz NOZYLONNENFDGA-UHFFFAOYSA-N 1 0 357.414 2.562 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](CCO)c1ccccc1 ZINC000299704453 258018486 /nfs/dbraw/zinc/01/84/86/258018486.db2.gz PKUAEGHSDTYRHK-MRXNPFEDSA-N 1 0 373.409 2.645 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](Cc1ccncc1)C1CC1 ZINC000299727317 258020820 /nfs/dbraw/zinc/02/08/20/258020820.db2.gz VFMVEWPIQGRUCK-UHFFFAOYSA-N 1 0 370.409 2.992 20 5 FFBDRO COc1cccc([C@H]2[C@H](Nc3ncc([N+](=O)[O-])cn3)CC[N@@H+]2C2CC2)c1 ZINC000302236938 258097194 /nfs/dbraw/zinc/09/71/94/258097194.db2.gz WAFGPRSILACMEN-SJORKVTESA-N 1 0 355.398 2.783 20 5 FFBDRO Cc1cnc(N[C@H](C)C[NH+]2CCN(c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000301466016 258051236 /nfs/dbraw/zinc/05/12/36/258051236.db2.gz XGYWCRPYYZNNHF-MRXNPFEDSA-N 1 0 355.442 2.921 20 5 FFBDRO CC(C)(C)Oc1cc(N2CC[NH+](C[C@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000301868634 258071779 /nfs/dbraw/zinc/07/17/79/258071779.db2.gz FBGZZPDAIDOCPQ-OAHLLOKOSA-N 1 0 363.458 2.931 20 5 FFBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)Nc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000301878828 258072452 /nfs/dbraw/zinc/07/24/52/258072452.db2.gz JKUUSJZCPJZXSP-STQMWFEESA-N 1 0 355.460 2.531 20 5 FFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000301964451 258078676 /nfs/dbraw/zinc/07/86/76/258078676.db2.gz NTATVLHSSDZEMN-ZBFHGGJFSA-N 1 0 366.425 2.960 20 5 FFBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC([NH+](C)C)CC1 ZINC000330483802 258164809 /nfs/dbraw/zinc/16/48/09/258164809.db2.gz VOQPIEKBAGEGBB-UHFFFAOYSA-N 1 0 370.247 2.832 20 5 FFBDRO COc1cc(CN2C[C@H](C)[N@H+](C)C[C@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000330585614 258165920 /nfs/dbraw/zinc/16/59/20/258165920.db2.gz LJAPIOUJKGVGSN-WDEREUQCSA-N 1 0 359.373 2.729 20 5 FFBDRO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000330918334 258173668 /nfs/dbraw/zinc/17/36/68/258173668.db2.gz MZROBBOGGSGYMI-GOSISDBHSA-N 1 0 361.442 2.839 20 5 FFBDRO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000332065467 258212254 /nfs/dbraw/zinc/21/22/54/258212254.db2.gz SINFGDVXIGKJKM-DGCLKSJQSA-N 1 0 370.356 2.945 20 5 FFBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])C1 ZINC000332117497 258214497 /nfs/dbraw/zinc/21/44/97/258214497.db2.gz HVEGDVCXORUCLB-IXDOHACOSA-N 1 0 374.485 2.895 20 5 FFBDRO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000332238935 258220579 /nfs/dbraw/zinc/22/05/79/258220579.db2.gz OOBSNOVTJSRJRT-ZKYQVNSYSA-N 1 0 355.232 2.950 20 5 FFBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000332249314 258221201 /nfs/dbraw/zinc/22/12/01/258221201.db2.gz XRVXRJRIMSZKDF-GFCCVEGCSA-N 1 0 370.247 2.914 20 5 FFBDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000332263456 258222342 /nfs/dbraw/zinc/22/23/42/258222342.db2.gz DWEFOFFVOWHERZ-VXGBXAGGSA-N 1 0 355.341 2.553 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000332369384 258227505 /nfs/dbraw/zinc/22/75/05/258227505.db2.gz AGEGFMAUHCMECD-YJBOKZPZSA-N 1 0 361.442 2.570 20 5 FFBDRO Cc1n[nH]c(C(=O)N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)c1[N+](=O)[O-] ZINC000332453419 258231062 /nfs/dbraw/zinc/23/10/62/258231062.db2.gz GMAHWCWWGKZQNN-ZDUSSCGKSA-N 1 0 363.462 2.743 20 5 FFBDRO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000332474804 258231856 /nfs/dbraw/zinc/23/18/56/258231856.db2.gz KZQJCBUARLCRDO-JSGCOSHPSA-N 1 0 366.849 2.745 20 5 FFBDRO Cn1cc(N2CC[C@H]([NH2+]Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2)cn1 ZINC000370902849 512126331 /nfs/dbraw/zinc/12/63/31/512126331.db2.gz CXAKYWFQPJYIKI-HNNXBMFYSA-N 1 0 367.409 2.957 20 5 FFBDRO O=C1C[C@H](c2ccccc2)[N@H+](CCOc2cccc([N+](=O)[O-])c2)CCN1 ZINC000052835522 506260158 /nfs/dbraw/zinc/26/01/58/506260158.db2.gz QBWSKWBVKCWRND-GOSISDBHSA-N 1 0 355.394 2.537 20 5 FFBDRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000065748008 506356393 /nfs/dbraw/zinc/35/63/93/506356393.db2.gz ISSJISMQAGRROF-UHFFFAOYSA-N 1 0 356.382 2.737 20 5 FFBDRO Cn1cc(C[N@@H+]2CC[C@]3(C2)CCCOC3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000375303294 512257675 /nfs/dbraw/zinc/25/76/75/512257675.db2.gz NTUZFFYZUPKKMK-IBGZPJMESA-N 1 0 356.426 2.998 20 5 FFBDRO CC[N@H+](C)Cc1cccc(CNC(=O)COc2ccc([N+](=O)[O-])cc2)c1 ZINC000065881406 506384753 /nfs/dbraw/zinc/38/47/53/506384753.db2.gz HRVLYLRLDVXTJV-UHFFFAOYSA-N 1 0 357.410 2.742 20 5 FFBDRO O=C(CN1CC[NH+](C2CCCC2)CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000039972125 506456617 /nfs/dbraw/zinc/45/66/17/506456617.db2.gz FAEAATJUMYYSEJ-UHFFFAOYSA-N 1 0 366.849 2.747 20 5 FFBDRO CC[NH+](CC)Cc1ccc(C(=O)NCCNc2ccccc2[N+](=O)[O-])o1 ZINC000041835887 506558637 /nfs/dbraw/zinc/55/86/37/506558637.db2.gz SUQPDSTZQVXHSD-UHFFFAOYSA-N 1 0 360.414 2.872 20 5 FFBDRO C[C@H]1CCC[N@H+](CCCCNC(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000054646709 506594015 /nfs/dbraw/zinc/59/40/15/506594015.db2.gz KIIXDXMOUIMXRI-INIZCTEOSA-N 1 0 362.474 2.949 20 5 FFBDRO COc1ccc(C(=O)NCCC[N@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000009982418 506720359 /nfs/dbraw/zinc/72/03/59/506720359.db2.gz CJNHEVNFUNZPTP-UHFFFAOYSA-N 1 0 357.410 2.855 20 5 FFBDRO COc1cccc([C@H](CNC(=O)c2cccc([N+](=O)[O-])c2C)[NH+](C)C)c1 ZINC000010018080 506722539 /nfs/dbraw/zinc/72/25/39/506722539.db2.gz HFEYVPQYDUTFJF-SFHVURJKSA-N 1 0 357.410 2.945 20 5 FFBDRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000055389465 506740521 /nfs/dbraw/zinc/74/05/21/506740521.db2.gz HADDVNGZXWKDOA-HOTGVXAUSA-N 1 0 363.458 2.848 20 5 FFBDRO O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000067703048 506980813 /nfs/dbraw/zinc/98/08/13/506980813.db2.gz ANVNSFJYFZFYFA-HNNXBMFYSA-N 1 0 361.445 2.508 20 5 FFBDRO O=C(CNc1ccccc1[N+](=O)[O-])NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000067705596 506981949 /nfs/dbraw/zinc/98/19/49/506981949.db2.gz CJEGJYVJRKFFMK-KRWDZBQOSA-N 1 0 372.425 2.943 20 5 FFBDRO O=C(NC1CC1)[C@H]([NH2+]CCNc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000015501244 507044099 /nfs/dbraw/zinc/04/40/99/507044099.db2.gz ZWGKARJSGFRZKQ-GOSISDBHSA-N 1 0 354.410 2.616 20 5 FFBDRO COc1ccc(CC(=O)NC[C@H](C2CCCCC2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000067906450 507048773 /nfs/dbraw/zinc/04/87/73/507048773.db2.gz RZCYMDXVHXJTLQ-QGZVFWFLSA-N 1 0 363.458 2.773 20 5 FFBDRO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000068133234 507123803 /nfs/dbraw/zinc/12/38/03/507123803.db2.gz GTGNBEMJSWIWOO-AWEZNQCLSA-N 1 0 357.414 2.562 20 5 FFBDRO C[NH+](C)Cc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000068250142 507161082 /nfs/dbraw/zinc/16/10/82/507161082.db2.gz MUHWUSPYARGXNP-UHFFFAOYSA-N 1 0 368.437 2.619 20 5 FFBDRO Cc1ccc([C@@H](CNC(=O)CNc2ccccc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000068256480 507163562 /nfs/dbraw/zinc/16/35/62/507163562.db2.gz SSBMREMSNICPMK-GOSISDBHSA-N 1 0 356.426 2.734 20 5 FFBDRO C[C@@H](CNC(=O)CSc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](C)C1 ZINC000047213367 507286065 /nfs/dbraw/zinc/28/60/65/507286065.db2.gz PQWOJKFYCBQVLY-KBPBESRZSA-N 1 0 351.472 2.924 20 5 FFBDRO CC[NH+]1CCN(Cc2ccc(CNc3ncccc3[N+](=O)[O-])cc2)CC1 ZINC000047272524 507298151 /nfs/dbraw/zinc/29/81/51/507298151.db2.gz RFBHXFYXWHJRRJ-UHFFFAOYSA-N 1 0 355.442 2.739 20 5 FFBDRO C[C@H](CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)[N@H+](C)C1CC1 ZINC000057713366 507315946 /nfs/dbraw/zinc/31/59/46/507315946.db2.gz JADQBLIHSSIBRQ-OAHLLOKOSA-N 1 0 363.461 2.754 20 5 FFBDRO CN(C(=O)CN1CCC[C@@H]1C[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000069076265 507399229 /nfs/dbraw/zinc/39/92/29/507399229.db2.gz ZPODGRIKXKRJSE-GOSISDBHSA-N 1 0 360.458 2.508 20 5 FFBDRO CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)C1 ZINC000069138290 507417576 /nfs/dbraw/zinc/41/75/76/507417576.db2.gz NSZHHTLZMQUUIP-ZIAGYGMSSA-N 1 0 351.472 2.924 20 5 FFBDRO CC(C)[N@H+](C)CC1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000058860963 507473662 /nfs/dbraw/zinc/47/36/62/507473662.db2.gz DSOKZYPGOAADQD-UHFFFAOYSA-N 1 0 363.458 2.943 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)CCOc1ccccc1 ZINC000026222705 507570121 /nfs/dbraw/zinc/57/01/21/507570121.db2.gz RUOVMJQBUZESJJ-UHFFFAOYSA-N 1 0 373.409 2.943 20 5 FFBDRO COc1ccc([C@@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])N2CCOCC2)cc1 ZINC000061013002 507588748 /nfs/dbraw/zinc/58/87/48/507588748.db2.gz VYYNWYJDVLLQAS-HXUWFJFHSA-N 1 0 371.437 2.767 20 5 FFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)NCC1([NH+]2CCSCC2)CCCC1 ZINC000029371234 507775638 /nfs/dbraw/zinc/77/56/38/507775638.db2.gz HPHCRHQSDRSABO-UHFFFAOYSA-N 1 0 363.483 2.615 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000029839865 507792391 /nfs/dbraw/zinc/79/23/91/507792391.db2.gz OFZFWIDHGRJZDX-UHFFFAOYSA-N 1 0 369.421 2.782 20 5 FFBDRO CC1(C)CC(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC(C)(C)[NH2+]1 ZINC000031257142 507818610 /nfs/dbraw/zinc/81/86/10/507818610.db2.gz PBZSTKGDRBVKRN-UHFFFAOYSA-N 1 0 371.441 2.820 20 5 FFBDRO CN(CC[C@H]1CCCC[N@@H+]1C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000072725436 507847939 /nfs/dbraw/zinc/84/79/39/507847939.db2.gz XMXZCGOLBDNOOT-CQSZACIVSA-N 1 0 368.865 2.993 20 5 FFBDRO CC(C)[C@H]1C[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CCS1 ZINC000072836544 507860889 /nfs/dbraw/zinc/86/08/89/507860889.db2.gz BDOFWNAUHROGGK-MRXNPFEDSA-N 1 0 365.455 2.966 20 5 FFBDRO COCCOC[C@@H]1CC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000089906401 507882121 /nfs/dbraw/zinc/88/21/21/507882121.db2.gz NBZIJZORKHCRLQ-CQSZACIVSA-N 1 0 361.398 2.735 20 5 FFBDRO CC1CCN(c2ccc(C(=O)NC[C@H]3CCC[N@H+](C)C3)cc2[N+](=O)[O-])CC1 ZINC000108341368 507888872 /nfs/dbraw/zinc/88/88/72/507888872.db2.gz JSXNORCJCVZCRN-MRXNPFEDSA-N 1 0 374.485 2.903 20 5 FFBDRO C[NH+](C)C1(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CCOCC1 ZINC000073133695 507897238 /nfs/dbraw/zinc/89/72/38/507897238.db2.gz MCJNELXUIGIMED-UHFFFAOYSA-N 1 0 363.439 2.650 20 5 FFBDRO CCC[C@@H]([NH2+][C@H]1CCN(c2cnn(C)c2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000090016978 507902388 /nfs/dbraw/zinc/90/23/88/507902388.db2.gz LERCZCKFPLJQKP-SJORKVTESA-N 1 0 357.414 2.565 20 5 FFBDRO C[C@@H]1CCCC[N@@H+]1CCCCNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000079926341 508016361 /nfs/dbraw/zinc/01/63/61/508016361.db2.gz CYVPSBXFQIOJQE-CYBMUJFWSA-N 1 0 359.430 2.898 20 5 FFBDRO Cc1cc([N+](=O)[O-])cnc1Sc1nnc([C@H]2CCC[NH2+]C2)n1C1CC1 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/nfs/dbraw/zinc/24/49/93/508244993.db2.gz KIPQQGSTFHSQCK-CYBMUJFWSA-N 1 0 362.821 2.869 20 5 FFBDRO CC[N@H+](CCNC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])C(C)C ZINC000102478843 508276663 /nfs/dbraw/zinc/27/66/63/508276663.db2.gz CZNLVLRAFNIOMF-GFCCVEGCSA-N 1 0 357.838 2.862 20 5 FFBDRO COc1cc(OCC(=O)Nc2ccc(C)cc2C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000113911992 508285587 /nfs/dbraw/zinc/28/55/87/508285587.db2.gz UQQDHFNRNBKFIY-UHFFFAOYSA-N 1 0 373.409 2.991 20 5 FFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000114642780 508333689 /nfs/dbraw/zinc/33/36/89/508333689.db2.gz DLZRVUODTBARDZ-LJQANCHMSA-N 1 0 353.422 2.918 20 5 FFBDRO C[C@@H](O)C[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1CCCCC1 ZINC000104684656 508341744 /nfs/dbraw/zinc/34/17/44/508341744.db2.gz IMIZDMIWNJSROO-CYBMUJFWSA-N 1 0 350.415 2.977 20 5 FFBDRO NC(=O)CC[C@H]1CCC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000104685428 508341776 /nfs/dbraw/zinc/34/17/76/508341776.db2.gz SBYKQASGXRILCY-CQSZACIVSA-N 1 0 372.425 2.770 20 5 FFBDRO CCOC(=O)c1ccnc(N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000077903856 508390300 /nfs/dbraw/zinc/39/03/00/508390300.db2.gz QCWJIMNODCVNLD-OAHLLOKOSA-N 1 0 370.409 2.853 20 5 FFBDRO C[NH+](C)C[C@@H]1CCN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000127217864 508416599 /nfs/dbraw/zinc/41/65/99/508416599.db2.gz JSDJWIFVBIIUBC-JTQLQIEISA-N 1 0 371.235 2.773 20 5 FFBDRO CC1(C)CC(NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)CC(C)(C)[NH2+]1 ZINC000121840337 508429106 /nfs/dbraw/zinc/42/91/06/508429106.db2.gz RFVBABYPSMKXBH-UHFFFAOYSA-N 1 0 360.458 2.972 20 5 FFBDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000156705750 508464802 /nfs/dbraw/zinc/46/48/02/508464802.db2.gz CNDBHHSPXZXPPL-ZDUSSCGKSA-N 1 0 358.236 2.803 20 5 FFBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC(Oc3ccccc3Cl)CC2)n1 ZINC000157309143 508550390 /nfs/dbraw/zinc/55/03/90/508550390.db2.gz DCLQXHKTIJSWHM-UHFFFAOYSA-N 1 0 350.806 2.988 20 5 FFBDRO C[C@@H]1CCC[C@](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)([NH+](C)C)C1 ZINC000116749257 508554137 /nfs/dbraw/zinc/55/41/37/508554137.db2.gz CLALIIYJXDKSON-DIFFPNOSSA-N 1 0 352.410 2.556 20 5 FFBDRO C[C@@H](Nc1ccc(C(=O)N2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000157749815 508606827 /nfs/dbraw/zinc/60/68/27/508606827.db2.gz DZUCBMLNUIDKCH-UKRRQHHQSA-N 1 0 369.425 2.726 20 5 FFBDRO COC[C@H](O)C[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000117947000 508624722 /nfs/dbraw/zinc/62/47/22/508624722.db2.gz BZEMFKZZCHAQKV-CQSZACIVSA-N 1 0 350.346 2.623 20 5 FFBDRO CC[C@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCN1CC(F)F ZINC000153698803 508629133 /nfs/dbraw/zinc/62/91/33/508629133.db2.gz UILJWOYTOIEWGC-ZDUSSCGKSA-N 1 0 370.400 2.585 20 5 FFBDRO C[C@@H]1C[C@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C[N@@H+]1C1CC1 ZINC000123097630 508635790 /nfs/dbraw/zinc/63/57/90/508635790.db2.gz CQSMOVYZORALHT-HIFRSBDPSA-N 1 0 358.442 2.894 20 5 FFBDRO NC(=O)COc1cccc(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000128776775 508642038 /nfs/dbraw/zinc/64/20/38/508642038.db2.gz PYFDRGVZANGIOS-GOSISDBHSA-N 1 0 369.421 2.570 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC(CCC[NH+](C)C)CC1 ZINC000123295687 508664893 /nfs/dbraw/zinc/66/48/93/508664893.db2.gz LFUIZXAZMRUGOK-UHFFFAOYSA-N 1 0 362.474 2.896 20 5 FFBDRO C[C@@H]1C[C@H](N(C)C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000123418513 508684471 /nfs/dbraw/zinc/68/44/71/508684471.db2.gz ZECRQZLQAFJAKE-GDBMZVCRSA-N 1 0 360.458 2.750 20 5 FFBDRO COc1cc(C[N@@H+]2CCC[C@H]2C(C)(C)O)c([N+](=O)[O-])cc1OC(F)F ZINC000118984495 508701039 /nfs/dbraw/zinc/70/10/39/508701039.db2.gz DGRNOBVFWSZPSM-AWEZNQCLSA-N 1 0 360.357 2.940 20 5 FFBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000136646567 508706280 /nfs/dbraw/zinc/70/62/80/508706280.db2.gz ROZSPSDEWBKNOY-CQSZACIVSA-N 1 0 358.442 2.809 20 5 FFBDRO CCCN(C(=O)c1n[nH]cc1[N+](=O)[O-])[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000136798638 508717511 /nfs/dbraw/zinc/71/75/11/508717511.db2.gz MKKKNDFPEXODII-INIZCTEOSA-N 1 0 371.441 2.835 20 5 FFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000119092528 508724139 /nfs/dbraw/zinc/72/41/39/508724139.db2.gz SNDIJVJYBPQAKX-HNNXBMFYSA-N 1 0 359.430 2.886 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N3C[C@@H](C)[NH2+][C@H](C)C3)cc2[N+](=O)[O-])CC1 ZINC000154152749 508726742 /nfs/dbraw/zinc/72/67/42/508726742.db2.gz IXWJRFBRBAMJTE-HUUCEWRRSA-N 1 0 360.458 2.654 20 5 FFBDRO Cn1c(Sc2cc(Cl)ccc2[N+](=O)[O-])nnc1[C@H]1CCC[NH2+]C1 ZINC000367265349 512414870 /nfs/dbraw/zinc/41/48/70/512414870.db2.gz VLOKEWNPYAKHEK-VIFPVBQESA-N 1 0 353.835 2.995 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c1 ZINC000137448855 508756488 /nfs/dbraw/zinc/75/64/88/508756488.db2.gz NUKCPRRANSFZRA-HOCLYGCPSA-N 1 0 369.421 2.996 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@]1(N2CCOCC2)CCSC1 ZINC000154439663 508785603 /nfs/dbraw/zinc/78/56/03/508785603.db2.gz PZSMHLHZXFRYQR-QAPCUYQASA-N 1 0 365.499 2.762 20 5 FFBDRO C[C@@H](Cc1ccc(O)cc1)[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000119396499 508787814 /nfs/dbraw/zinc/78/78/14/508787814.db2.gz QEVNGRXUEHHRSN-KSSFIOAISA-N 1 0 360.410 2.603 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N3CC[C@]4(CC[NH2+]C4)C3)cc2[N+](=O)[O-])CC1 ZINC000159172767 508803567 /nfs/dbraw/zinc/80/35/67/508803567.db2.gz ZOQORCOTXBDWHK-FQEVSTJZSA-N 1 0 372.469 2.657 20 5 FFBDRO COc1ccc(NC(=O)C[N@H+](C)C2Cc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000141270754 508813999 /nfs/dbraw/zinc/81/39/99/508813999.db2.gz UOWCOUXJJQIHDX-UHFFFAOYSA-N 1 0 355.394 2.641 20 5 FFBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@@H](C[NH3+])C2CC2)cc1 ZINC000159315494 508823265 /nfs/dbraw/zinc/82/32/65/508823265.db2.gz GOFTUQFUEBXWPL-KRWDZBQOSA-N 1 0 371.393 2.863 20 5 FFBDRO CCCCNC(=O)[C@H]1CC[C@H](C)[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000144838133 508841348 /nfs/dbraw/zinc/84/13/48/508841348.db2.gz HQVBYLSIAWHTOD-HOTGVXAUSA-N 1 0 363.458 2.990 20 5 FFBDRO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000159517254 508852047 /nfs/dbraw/zinc/85/20/47/508852047.db2.gz AGNSKMHBZJTQLV-DGCLKSJQSA-N 1 0 360.439 2.804 20 5 FFBDRO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)Cc1ccccn1 ZINC000119855238 508876970 /nfs/dbraw/zinc/87/69/70/508876970.db2.gz GERHJSRMEZXYAJ-UHFFFAOYSA-N 1 0 358.398 2.849 20 5 FFBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H]2CC(C)(C)OC2(C)C)c([N+](=O)[O-])c1 ZINC000119881327 508882823 /nfs/dbraw/zinc/88/28/23/508882823.db2.gz BUJNJBUSBWLEOQ-OAHLLOKOSA-N 1 0 365.430 2.868 20 5 FFBDRO CCC[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1CCOC ZINC000125048961 508923095 /nfs/dbraw/zinc/92/30/95/508923095.db2.gz JIPFHJHUDVOADB-MRXNPFEDSA-N 1 0 350.419 2.559 20 5 FFBDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000125070747 508926538 /nfs/dbraw/zinc/92/65/38/508926538.db2.gz FHRHQICFCVXZMH-QGZVFWFLSA-N 1 0 369.487 2.525 20 5 FFBDRO CC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000369473701 512426648 /nfs/dbraw/zinc/42/66/48/512426648.db2.gz XGMNYSVRWYMINC-OAHLLOKOSA-N 1 0 357.414 2.698 20 5 FFBDRO CNC(=O)c1ccc(N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000160230237 508957772 /nfs/dbraw/zinc/95/77/72/508957772.db2.gz IKQPPQZZDLMUAT-KSSFIOAISA-N 1 0 368.437 2.887 20 5 FFBDRO Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)c([N+](=O)[O-])c1 ZINC000120265507 508961508 /nfs/dbraw/zinc/96/15/08/508961508.db2.gz ASVZDYUWDCLVOB-OAHLLOKOSA-N 1 0 369.487 2.550 20 5 FFBDRO C[N@H+](CCNC(=O)NCCc1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000160520285 508997856 /nfs/dbraw/zinc/99/78/56/508997856.db2.gz QOKFIWBFXMSVAC-UHFFFAOYSA-N 1 0 356.426 2.569 20 5 FFBDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000120535983 509016243 /nfs/dbraw/zinc/01/62/43/509016243.db2.gz HREQYWKQKJOAMS-JTQLQIEISA-N 1 0 358.236 2.817 20 5 FFBDRO CCC[NH+]1CCC(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000160813440 509036479 /nfs/dbraw/zinc/03/64/79/509036479.db2.gz PFDQUJJTZOVJHX-UHFFFAOYSA-N 1 0 370.247 2.962 20 5 FFBDRO CC[NH2+]CC1CCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000161073260 509067251 /nfs/dbraw/zinc/06/72/51/509067251.db2.gz BBKNJBKGCDQFHG-UHFFFAOYSA-N 1 0 369.849 2.865 20 5 FFBDRO CC(C)N(CC[NH+](C)C)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000151820656 509089844 /nfs/dbraw/zinc/08/98/44/509089844.db2.gz MOCFWGNUMKRXJL-UHFFFAOYSA-N 1 0 358.236 2.770 20 5 FFBDRO O=[N+]([O-])c1cnc(NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c(Cl)c1 ZINC000132967421 509098142 /nfs/dbraw/zinc/09/81/42/509098142.db2.gz WKVNKGLMXCMSCW-HUUCEWRRSA-N 1 0 354.838 2.823 20 5 FFBDRO CCOC(=O)c1ccnc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000161927504 509164854 /nfs/dbraw/zinc/16/48/54/509164854.db2.gz NZZAUIHXTMPWOB-CZUORRHYSA-N 1 0 374.441 2.620 20 5 FFBDRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000162087566 509171965 /nfs/dbraw/zinc/17/19/65/509171965.db2.gz JATZTQMGDJNWLQ-LLVKDONJSA-N 1 0 370.247 2.962 20 5 FFBDRO Cc1cc(C(=O)N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)ccc1[N+](=O)[O-] ZINC000162237514 509181222 /nfs/dbraw/zinc/18/12/22/509181222.db2.gz UWNNNOWWXCFGDE-CALCHBBNSA-N 1 0 374.485 2.534 20 5 FFBDRO O=[N+]([O-])c1cnc(NCCCN2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000195508360 509199368 /nfs/dbraw/zinc/19/93/68/509199368.db2.gz DAOWYEYTEDSOIE-UHFFFAOYSA-N 1 0 361.471 2.671 20 5 FFBDRO COC(=O)[C@H]1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H]1C ZINC000191837926 509204336 /nfs/dbraw/zinc/20/43/36/509204336.db2.gz SMTIKIQJZILMKB-BBRMVZONSA-N 1 0 373.409 2.923 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1SC ZINC000264030993 509291935 /nfs/dbraw/zinc/29/19/35/509291935.db2.gz MQXHWVUCJOTMMK-NSHDSACASA-N 1 0 365.455 2.539 20 5 FFBDRO CCCC[C@@H](C[NH3+])NC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 ZINC000162819369 509307477 /nfs/dbraw/zinc/30/74/77/509307477.db2.gz CMIFYDYBRTZVQJ-KRWDZBQOSA-N 1 0 373.457 2.704 20 5 FFBDRO Cc1cc(C)c(S(=O)(=O)N(CC[NH+](C)C)C2CCCC2)cc1[N+](=O)[O-] ZINC000192035164 509310336 /nfs/dbraw/zinc/31/03/36/509310336.db2.gz JHVAYTOZQFJCAC-UHFFFAOYSA-N 1 0 369.487 2.707 20 5 FFBDRO CC(C)OCC[NH+]1CCC(Nc2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000267079920 509337713 /nfs/dbraw/zinc/33/77/13/509337713.db2.gz SDOBOOMYGQRWKF-UHFFFAOYSA-N 1 0 353.448 2.605 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000182622224 509338534 /nfs/dbraw/zinc/33/85/34/509338534.db2.gz AVIAVTMAOGAVIG-HOTGVXAUSA-N 1 0 361.442 2.535 20 5 FFBDRO O=[N+]([O-])c1ccn(CC[NH2+]C2(c3ccc4c(c3)OCCO4)CCCC2)n1 ZINC000176218891 509385376 /nfs/dbraw/zinc/38/53/76/509385376.db2.gz FZPDTKOCSOKCPO-UHFFFAOYSA-N 1 0 358.398 2.622 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCS[C@@H](C)CC1 ZINC000192183813 509391486 /nfs/dbraw/zinc/39/14/86/509391486.db2.gz GEJFHINQROUUTA-LBPRGKRZSA-N 1 0 353.444 2.759 20 5 FFBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000179367570 509405262 /nfs/dbraw/zinc/40/52/62/509405262.db2.gz VEOXTEQXXPKOMN-FZKQIMNGSA-N 1 0 356.426 2.561 20 5 FFBDRO C[C@@]1(C(N)=O)CCCC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000185904641 509417636 /nfs/dbraw/zinc/41/76/36/509417636.db2.gz PZVJEJFOPAPJHE-SFHVURJKSA-N 1 0 358.398 2.522 20 5 FFBDRO CCC(CC)(CC(=O)OC)[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000267311275 509442244 /nfs/dbraw/zinc/44/22/44/509442244.db2.gz XEQXHFIMJOKPJU-UHFFFAOYSA-N 1 0 352.387 2.673 20 5 FFBDRO O=[N+]([O-])c1ccc(NCC2([NH+]3CCCC3)CCOCC2)c([N+](=O)[O-])c1 ZINC000264313725 509451818 /nfs/dbraw/zinc/45/18/18/509451818.db2.gz TXBKTSYPFONFRR-UHFFFAOYSA-N 1 0 350.375 2.560 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@H]3CCOC3)CC2)cc1C(F)(F)F ZINC000267347419 509458082 /nfs/dbraw/zinc/45/80/82/509458082.db2.gz FVDHZONRQNEBMB-GFCCVEGCSA-N 1 0 359.348 2.772 20 5 FFBDRO O=C(NCC1([NH+]2CCCC2)CCOCC1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000264328083 509459561 /nfs/dbraw/zinc/45/95/61/509459561.db2.gz WOHUKLKNVKHLCN-UHFFFAOYSA-N 1 0 367.833 2.623 20 5 FFBDRO C[C@H]1C[C@H](C)CN(c2ccc(C(=O)N(C)CC[NH+](C)C)cc2[N+](=O)[O-])C1 ZINC000176371674 509472266 /nfs/dbraw/zinc/47/22/66/509472266.db2.gz CJPZUDPRVBVIAE-GJZGRUSLSA-N 1 0 362.474 2.711 20 5 FFBDRO C[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)CC1(c2ccccc2)CC1 ZINC000189287317 509502307 /nfs/dbraw/zinc/50/23/07/509502307.db2.gz QGQARLZUYKENJP-GOSISDBHSA-N 1 0 356.422 2.998 20 5 FFBDRO COC(=O)c1cnc(NC[C@H](C)[N@H+](C)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000189288343 509502407 /nfs/dbraw/zinc/50/24/07/509502407.db2.gz XBLIGQMGIPELRZ-ZDUSSCGKSA-N 1 0 358.398 2.709 20 5 FFBDRO COC(=O)c1cnc(NCCCCC[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000189288710 509503165 /nfs/dbraw/zinc/50/31/65/509503165.db2.gz SBNHGHRERINVNQ-UHFFFAOYSA-N 1 0 350.419 2.845 20 5 FFBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000248875743 509523560 /nfs/dbraw/zinc/52/35/60/509523560.db2.gz RABNTDQUBHHAAN-DOTOQJQBSA-N 1 0 369.421 2.610 20 5 FFBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000248920099 509543479 /nfs/dbraw/zinc/54/34/79/509543479.db2.gz WNDFNMFVYCTQEZ-HNAYVOBHSA-N 1 0 368.437 2.915 20 5 FFBDRO COC(=O)c1cnc(N[C@H](C)C[N@H+](C)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000189379562 509547948 /nfs/dbraw/zinc/54/79/48/509547948.db2.gz IMJULISFISTNHK-CYBMUJFWSA-N 1 0 358.398 2.709 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)c1 ZINC000173374281 509560112 /nfs/dbraw/zinc/56/01/12/509560112.db2.gz RNAXOHAZHMEMKQ-CALCHBBNSA-N 1 0 374.485 2.534 20 5 FFBDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000237135854 509579297 /nfs/dbraw/zinc/57/92/97/509579297.db2.gz KDJAGUWAOZFZEE-UXLLHSPISA-N 1 0 374.485 2.901 20 5 FFBDRO COC(=O)C[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000165697771 509581380 /nfs/dbraw/zinc/58/13/80/509581380.db2.gz LZAXJACHHVYIEO-AWEZNQCLSA-N 1 0 363.414 2.649 20 5 FFBDRO COc1cc(C[NH2+]C[C@@H](O)C(C)C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000237149142 509582814 /nfs/dbraw/zinc/58/28/14/509582814.db2.gz MDBURJHEVZBCMV-GFCCVEGCSA-N 1 0 366.336 2.651 20 5 FFBDRO C[NH2+]C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)C1 ZINC000237246771 509603312 /nfs/dbraw/zinc/60/33/12/509603312.db2.gz FFFQUXJUCKCAKS-INIZCTEOSA-N 1 0 374.485 2.903 20 5 FFBDRO COc1ccc(-c2ccc(C[NH2+]CCNC(=O)C(C)C)o2)c([N+](=O)[O-])c1 ZINC000237287864 509613286 /nfs/dbraw/zinc/61/32/86/509613286.db2.gz JFUZIYKYKPHCBQ-UHFFFAOYSA-N 1 0 361.398 2.725 20 5 FFBDRO CCOC(=O)c1ccnc(NC2CC[NH+](C3CCCC3)CC2)c1[N+](=O)[O-] ZINC000176820336 509708583 /nfs/dbraw/zinc/70/85/83/509708583.db2.gz CLARSLNOBMQANS-UHFFFAOYSA-N 1 0 362.430 2.985 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCC2([NH+]3CCCCC3)CCOCC2)c1 ZINC000173677228 509714908 /nfs/dbraw/zinc/71/49/08/509714908.db2.gz RYHLMYUYKTZCFW-UHFFFAOYSA-N 1 0 361.442 2.668 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000249686846 509735458 /nfs/dbraw/zinc/73/54/58/509735458.db2.gz JCTBIILOVMSSRH-ZIAGYGMSSA-N 1 0 364.446 2.523 20 5 FFBDRO C[C@H](NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[C@@H](c1ccccc1)[NH+](C)C ZINC000186493506 509737819 /nfs/dbraw/zinc/73/78/19/509737819.db2.gz HNTLQSQNYFOSAQ-SGTLLEGYSA-N 1 0 367.409 2.892 20 5 FFBDRO CCc1cc(N2CC[N@@H+]3CCC[C@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000249741317 509749877 /nfs/dbraw/zinc/74/98/77/509749877.db2.gz IRLKCWWUHCQBMB-KRWDZBQOSA-N 1 0 353.426 2.899 20 5 FFBDRO CCOC[C@@H]([NH2+][C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)C(C)C ZINC000189811036 509764679 /nfs/dbraw/zinc/76/46/79/509764679.db2.gz PBVSFEWDSBTULO-IUODEOHRSA-N 1 0 353.419 2.581 20 5 FFBDRO [NH3+]C[C@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])C1CCCCC1 ZINC000237907038 509770297 /nfs/dbraw/zinc/77/02/97/509770297.db2.gz KOWCSVHUMSJUCK-ZDUSSCGKSA-N 1 0 370.247 2.995 20 5 FFBDRO C[C@@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H](c1ccccc1)[NH+](C)C ZINC000186585282 509785364 /nfs/dbraw/zinc/78/53/64/509785364.db2.gz VRRNGDGNBLTBFT-CXAGYDPISA-N 1 0 363.439 2.565 20 5 FFBDRO O=C(NCC1([NH+]2CCCC2)CCOCC1)c1cc([N+](=O)[O-])ccc1Cl ZINC000264966539 509800586 /nfs/dbraw/zinc/80/05/86/509800586.db2.gz YBNKOGQHCHFULQ-UHFFFAOYSA-N 1 0 367.833 2.623 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCC[C@H](C4OCCO4)C3)o2)c1 ZINC000170914847 509845591 /nfs/dbraw/zinc/84/55/91/509845591.db2.gz DIVLBMZWJNSUTQ-HNNXBMFYSA-N 1 0 373.409 2.877 20 5 FFBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[NH+](C2CCC2)CC1 ZINC000265103300 509863135 /nfs/dbraw/zinc/86/31/35/509863135.db2.gz FNLYNBZDCGZNAE-ZDUSSCGKSA-N 1 0 357.414 2.876 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])[C@H](C)C1 ZINC000190007494 509880588 /nfs/dbraw/zinc/88/05/88/509880588.db2.gz JEAYUQVOYFNGJR-HUUCEWRRSA-N 1 0 369.487 2.562 20 5 FFBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[NH+](C2CCC2)CC1 ZINC000265150843 509890982 /nfs/dbraw/zinc/89/09/82/509890982.db2.gz SOMQBGNZCZDPJT-GFCCVEGCSA-N 1 0 366.849 2.745 20 5 FFBDRO C[C@H]([NH2+]CC(=O)NC(=O)N[C@H]1CCCC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000180418896 509916575 /nfs/dbraw/zinc/91/65/75/509916575.db2.gz XAMDHCMZXVOLFF-WWGRRREGSA-N 1 0 362.430 2.650 20 5 FFBDRO CCOc1cccc(CNC(=O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000180456228 509934392 /nfs/dbraw/zinc/93/43/92/509934392.db2.gz DEDQPRSCEGYYKN-CQSZACIVSA-N 1 0 357.410 2.961 20 5 FFBDRO Cc1nnc([C@H]2CCC[N@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)[nH]1 ZINC000268528032 509990197 /nfs/dbraw/zinc/99/01/97/509990197.db2.gz YDIQDDGROWGDSB-AWEZNQCLSA-N 1 0 372.429 2.538 20 5 FFBDRO CCc1ccc([C@@H]2C[NH2+]CCN2C(=O)c2cc([N+](=O)[O-])cnc2C)cc1 ZINC000261621340 510003743 /nfs/dbraw/zinc/00/37/43/510003743.db2.gz AGQAGZIRBGBEQV-SFHVURJKSA-N 1 0 354.410 2.647 20 5 FFBDRO CN(C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)C1CC[NH+](C)CC1 ZINC000171222455 510017578 /nfs/dbraw/zinc/01/75/78/510017578.db2.gz AXROXRNHXBJFAH-UHFFFAOYSA-N 1 0 360.458 2.751 20 5 FFBDRO CNC(=O)c1cccc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000174247148 510023410 /nfs/dbraw/zinc/02/34/10/510023410.db2.gz WCHOXPUXGALHAN-UHFFFAOYSA-N 1 0 369.421 2.998 20 5 FFBDRO C[C@H]([NH2+]C[C@@H]1C[C@@H](O)CN1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000245602269 510033333 /nfs/dbraw/zinc/03/33/33/510033333.db2.gz PKRRSCKNVQNFPO-RYGJVYDSSA-N 1 0 355.438 2.881 20 5 FFBDRO C[C@H](C[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-])c1nccs1 ZINC000183938138 510047238 /nfs/dbraw/zinc/04/72/38/510047238.db2.gz CMNRERSHIQYUIH-OLZOCXBDSA-N 1 0 351.428 2.527 20 5 FFBDRO O=C(Nc1cccc(-n2ccnc2)c1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000180687630 510056342 /nfs/dbraw/zinc/05/63/42/510056342.db2.gz GLPPDCINPJJJRE-UHFFFAOYSA-N 1 0 352.306 2.762 20 5 FFBDRO Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000180724432 510074140 /nfs/dbraw/zinc/07/41/40/510074140.db2.gz QXNSEPSQROWBMY-CYBMUJFWSA-N 1 0 374.466 2.881 20 5 FFBDRO C[NH+](C)CCCOc1ccc(CNC(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000171344630 510094033 /nfs/dbraw/zinc/09/40/33/510094033.db2.gz JATCHQONYPAJQA-UHFFFAOYSA-N 1 0 363.439 2.917 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCCC[NH2+]C1CCCCC1 ZINC000193950861 510146048 /nfs/dbraw/zinc/14/60/48/510146048.db2.gz CIKKIQCIQFSJEZ-UHFFFAOYSA-N 1 0 364.446 2.715 20 5 FFBDRO C[NH2+]CCC1CCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000262027703 510152115 /nfs/dbraw/zinc/15/21/15/510152115.db2.gz JIRMPVQZKXCEGB-UHFFFAOYSA-N 1 0 369.849 2.865 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCSC[C@@H](C)C1 ZINC000190483186 510157807 /nfs/dbraw/zinc/15/78/07/510157807.db2.gz QMOUVVFHWSDZFE-LBPRGKRZSA-N 1 0 353.444 2.617 20 5 FFBDRO CN(CC[N@H+](C)C1CC1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000184170348 510173037 /nfs/dbraw/zinc/17/30/37/510173037.db2.gz WSIPSDCKQBTUPY-UHFFFAOYSA-N 1 0 358.345 2.754 20 5 FFBDRO O=C(NC1CC[NH+](Cc2cccnc2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000177644928 510175211 /nfs/dbraw/zinc/17/52/11/510175211.db2.gz RSWYNIVAVHTUKI-UHFFFAOYSA-N 1 0 358.373 2.523 20 5 FFBDRO O=[N+]([O-])c1cccc(OCC[N@H+](C[C@H]2CCCO2)[C@H]2CCSC2)c1 ZINC000245907827 510199352 /nfs/dbraw/zinc/19/93/52/510199352.db2.gz QWJHXIDGNVROHU-DOTOQJQBSA-N 1 0 352.456 2.960 20 5 FFBDRO Cn1cc(C[N@H+](C)C[C@@H]2CCCC[C@H]2O)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000245920057 510207396 /nfs/dbraw/zinc/20/73/96/510207396.db2.gz GWYQKHAXGFFSRA-MAUKXSAKSA-N 1 0 358.442 2.978 20 5 FFBDRO C[NH2+]C[C@H]1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 ZINC000269106717 510238585 /nfs/dbraw/zinc/23/85/85/510238585.db2.gz KKXXEDYBOWTNDG-SECBINFHSA-N 1 0 374.210 2.568 20 5 FFBDRO O=C(NCC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)c1ccn[nH]1 ZINC000181142874 510285406 /nfs/dbraw/zinc/28/54/06/510285406.db2.gz NPJCFGZBGLHQEL-UHFFFAOYSA-N 1 0 371.422 2.566 20 5 FFBDRO CC[N@@H+](Cc1ccc(Cl)c(Cl)c1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174745004 510287149 /nfs/dbraw/zinc/28/71/49/510287149.db2.gz UGPZOFZXHLOSRU-ZDUSSCGKSA-N 1 0 373.240 2.981 20 5 FFBDRO CCO[C@@H]1C[C@H](O)C12CC[NH+](CCCOc1ccc([N+](=O)[O-])cc1)CC2 ZINC000265922838 510301556 /nfs/dbraw/zinc/30/15/56/510301556.db2.gz CDYHBVVPNCZSOU-ZWKOTPCHSA-N 1 0 364.442 2.616 20 5 FFBDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000262579198 510322582 /nfs/dbraw/zinc/32/25/82/510322582.db2.gz LHMCIVLXSGPQSA-WOPDTQHZSA-N 1 0 355.822 2.601 20 5 FFBDRO C[C@@H]1CCC[N@H+](CCNC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000184449909 510331594 /nfs/dbraw/zinc/33/15/94/510331594.db2.gz GUDPLZMRLRPOGW-GFCCVEGCSA-N 1 0 354.838 2.779 20 5 FFBDRO Cc1ccc([C@@H]([NH3+])C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000262690730 510370379 /nfs/dbraw/zinc/37/03/79/510370379.db2.gz ZERHSCOYNPVBRS-LJQANCHMSA-N 1 0 369.421 2.973 20 5 FFBDRO COC[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(F)c(F)c1 ZINC000181428489 510404648 /nfs/dbraw/zinc/40/46/48/510404648.db2.gz XVAYRNJBWIZGSY-DLBZAZTESA-N 1 0 352.337 2.884 20 5 FFBDRO CC(C)c1n[nH]c(C(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000269453548 510414944 /nfs/dbraw/zinc/41/49/44/510414944.db2.gz GPTPDBXYTJCBLT-UKRRQHHQSA-N 1 0 371.441 2.834 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](C)c1cccc(O)c1 ZINC000181493457 510436671 /nfs/dbraw/zinc/43/66/71/510436671.db2.gz IRURNIQFJMVXQE-GFCCVEGCSA-N 1 0 359.382 2.988 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H](c2ccccc2F)C2CCCC2)c1 ZINC000181500849 510440524 /nfs/dbraw/zinc/44/05/24/510440524.db2.gz SLALWZUOZXOZQK-YJBOKZPZSA-N 1 0 362.405 2.812 20 5 FFBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000266193941 510456993 /nfs/dbraw/zinc/45/69/93/510456993.db2.gz VCTNDBWWHXSINF-MRXNPFEDSA-N 1 0 361.442 2.698 20 5 FFBDRO Nc1c(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000178151107 510459938 /nfs/dbraw/zinc/45/99/38/510459938.db2.gz VHPSYBBXNYNBIS-KRWDZBQOSA-N 1 0 354.410 2.744 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H](Cc2ccccc2)C2CC2)c1 ZINC000181557064 510471715 /nfs/dbraw/zinc/47/17/15/510471715.db2.gz OYCHSJCBQLOPNB-QUCCMNQESA-N 1 0 356.422 2.945 20 5 FFBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H](C)c2cccc(O)c2)c([N+](=O)[O-])c1 ZINC000181569527 510478639 /nfs/dbraw/zinc/47/86/39/510478639.db2.gz WWZCGPUKAGBSTH-LBPRGKRZSA-N 1 0 359.382 2.988 20 5 FFBDRO COc1ccc([C@H]2CC[N@H+](C[C@H](O)COc3ccccc3[N+](=O)[O-])C2)cc1 ZINC000181650197 510521554 /nfs/dbraw/zinc/52/15/54/510521554.db2.gz FXGFONYBAOFZBN-IRXDYDNUSA-N 1 0 372.421 2.833 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000175212099 510533927 /nfs/dbraw/zinc/53/39/27/510533927.db2.gz JDRPLTSESJJQDO-AWEZNQCLSA-N 1 0 371.441 2.911 20 5 FFBDRO COc1ccccc1[C@H](CC(C)C)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000181717134 510555773 /nfs/dbraw/zinc/55/57/73/510555773.db2.gz SLKBLNVUMUTLBN-RDJZCZTQSA-N 1 0 362.430 2.538 20 5 FFBDRO C[NH+](C)Cc1cc(CNC(=O)NCc2ccc([N+](=O)[O-])cc2)ccc1F ZINC000172140317 510563516 /nfs/dbraw/zinc/56/35/16/510563516.db2.gz GTMLESDPSYBFST-UHFFFAOYSA-N 1 0 360.389 2.795 20 5 FFBDRO CN(CC1([NH+](C)C)CCC1)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000188055895 510569126 /nfs/dbraw/zinc/56/91/26/510569126.db2.gz NLZXVAXWRHPIRA-UHFFFAOYSA-N 1 0 360.458 2.751 20 5 FFBDRO COc1ccccc1CC[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181776668 510586987 /nfs/dbraw/zinc/58/69/87/510586987.db2.gz AGFSUNVZTRENLA-INIZCTEOSA-N 1 0 360.410 2.518 20 5 FFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(CCn2ccnc2)CC1 ZINC000178473440 510621855 /nfs/dbraw/zinc/62/18/55/510621855.db2.gz JVAHENBBBDKQDN-UHFFFAOYSA-N 1 0 369.347 2.632 20 5 FFBDRO COc1ccc(C[N@H+](C)C[C@H](O)COCc2ccccc2)cc1[N+](=O)[O-] ZINC000172251775 510628915 /nfs/dbraw/zinc/62/89/15/510628915.db2.gz QNFFTWOJJUWXOW-KRWDZBQOSA-N 1 0 360.410 2.613 20 5 FFBDRO [NH3+]C[C@H](C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 ZINC000178603877 510681995 /nfs/dbraw/zinc/68/19/95/510681995.db2.gz LCBKEYBSLGKUOR-IBGZPJMESA-N 1 0 369.421 2.707 20 5 FFBDRO Cc1[nH]nc(C(=O)Nc2ccc(OCC[N@H+]3CC[C@@H](C)C3)cc2)c1[N+](=O)[O-] ZINC000266611694 510687021 /nfs/dbraw/zinc/68/70/21/510687021.db2.gz BILVYLGQXPNNDS-GFCCVEGCSA-N 1 0 373.413 2.599 20 5 FFBDRO Cc1cc(NCCC[NH+]2CCC(O)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000270241457 510731819 /nfs/dbraw/zinc/73/18/19/510731819.db2.gz QJWJXSMVPGFCNK-UHFFFAOYSA-N 1 0 371.441 2.619 20 5 FFBDRO C[NH+]1CCC([C@@H]2CCN(c3ncc([N+](=O)[O-])cc3Br)C2)CC1 ZINC000270248861 510734381 /nfs/dbraw/zinc/73/43/81/510734381.db2.gz XYPWTSAYRRYLCR-GFCCVEGCSA-N 1 0 369.263 2.920 20 5 FFBDRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000182081299 510745948 /nfs/dbraw/zinc/74/59/48/510745948.db2.gz ZPGGWAWQIRSOPF-OAHLLOKOSA-N 1 0 357.410 2.610 20 5 FFBDRO CC(C)(C)OC(=O)NC[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000185232494 510760277 /nfs/dbraw/zinc/76/02/77/510760277.db2.gz FQVMSKJOSXMPTE-HZPDHXFCSA-N 1 0 365.430 2.521 20 5 FFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000246944459 510760913 /nfs/dbraw/zinc/76/09/13/510760913.db2.gz CBMLPFOHMIGJCE-CPUCHLNUSA-N 1 0 357.414 2.701 20 5 FFBDRO O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)C1CC[NH+](C2CC2)CC1 ZINC000195318948 510781005 /nfs/dbraw/zinc/78/10/05/510781005.db2.gz LQDIZGIGPUNSHI-UHFFFAOYSA-N 1 0 361.398 2.569 20 5 FFBDRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000247009503 510796973 /nfs/dbraw/zinc/79/69/73/510796973.db2.gz RFDAARZQRIDTCS-IRXDYDNUSA-N 1 0 372.469 2.894 20 5 FFBDRO C[N@@H+](Cc1ccc(F)c(F)c1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182204560 510812098 /nfs/dbraw/zinc/81/20/98/510812098.db2.gz MEVPNXRWFPEEQX-ZDUSSCGKSA-N 1 0 352.337 2.745 20 5 FFBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000182235185 510826791 /nfs/dbraw/zinc/82/67/91/510826791.db2.gz ITWCBMQHPUMERF-LLVKDONJSA-N 1 0 357.357 2.610 20 5 FFBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)n1 ZINC000191790103 510831822 /nfs/dbraw/zinc/83/18/22/510831822.db2.gz GKCXEXZNGXKKJG-INIZCTEOSA-N 1 0 371.441 2.687 20 5 FFBDRO C[C@H](C[NH+]1CCCCCC1)NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000185412465 510838534 /nfs/dbraw/zinc/83/85/34/510838534.db2.gz PFHOGGWIOYMNPR-OAHLLOKOSA-N 1 0 371.441 2.775 20 5 FFBDRO C[C@H](C[NH+]1CCCCCC1)NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000185441819 510845596 /nfs/dbraw/zinc/84/55/96/510845596.db2.gz RGKSHZMSYVFQRW-OAHLLOKOSA-N 1 0 371.441 2.775 20 5 FFBDRO CCc1ccc([C@@H]2CCCCC[N@@H+]2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)o1 ZINC000247500226 510863343 /nfs/dbraw/zinc/86/33/43/510863343.db2.gz LPWLQSAWIQDKDK-WBVHZDCISA-N 1 0 362.430 2.925 20 5 FFBDRO COc1cc(C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000297282365 510885648 /nfs/dbraw/zinc/88/56/48/510885648.db2.gz UFHKKTQLGPNIME-HOTGVXAUSA-N 1 0 373.384 2.700 20 5 FFBDRO COc1cc(C(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000297282362 510886080 /nfs/dbraw/zinc/88/60/80/510886080.db2.gz UFHKKTQLGPNIME-CVEARBPZSA-N 1 0 373.384 2.700 20 5 FFBDRO CC(C)N1CC[NH+](C2CCN(c3ccc([N+](=O)[O-])cc3F)CC2)CC1 ZINC000270507039 510890360 /nfs/dbraw/zinc/89/03/60/510890360.db2.gz VWQHXXIAARAYAF-UHFFFAOYSA-N 1 0 350.438 2.729 20 5 FFBDRO NC(=O)[C@H]([NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])c1ccccn1 ZINC000297314433 510899515 /nfs/dbraw/zinc/89/95/15/510899515.db2.gz NAFQNWZGRZVZSU-DDUZABMNSA-N 1 0 354.410 2.517 20 5 FFBDRO C[C@H]([NH2+]Cc1ccc(N2CCOC2=O)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294057374 510941618 /nfs/dbraw/zinc/94/16/18/510941618.db2.gz GZLJYZQDHHSKDV-LBPRGKRZSA-N 1 0 356.382 2.984 20 5 FFBDRO Cn1cc(N2CC[C@H]([NH2+]Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)C2)cn1 ZINC000361010788 510978637 /nfs/dbraw/zinc/97/86/37/510978637.db2.gz GEANUDKDKUFRSC-AWEZNQCLSA-N 1 0 367.409 2.957 20 5 FFBDRO C[N@@H+]1CCN(CC[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1(C)C ZINC000282439563 510978824 /nfs/dbraw/zinc/97/88/24/510978824.db2.gz ULVNIXDHFFIBFC-SFHVURJKSA-N 1 0 360.502 2.532 20 5 FFBDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000361256720 511021367 /nfs/dbraw/zinc/02/13/67/511021367.db2.gz DKIKGIVMIJISKG-MRXNPFEDSA-N 1 0 354.410 2.584 20 5 FFBDRO COc1ccc(C[N@@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)cc1[N+](=O)[O-] ZINC000270910309 511022598 /nfs/dbraw/zinc/02/25/98/511022598.db2.gz STVBXGWZEBCMNT-AWEZNQCLSA-N 1 0 357.414 2.979 20 5 FFBDRO COCc1cccc(CNC(=O)CN(C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000282559136 511025359 /nfs/dbraw/zinc/02/53/59/511025359.db2.gz YEFVZDUSIXIMRY-UHFFFAOYSA-N 1 0 371.437 2.532 20 5 FFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](O)c1cnn(C)c1 ZINC000271073585 511075121 /nfs/dbraw/zinc/07/51/21/511075121.db2.gz FTWFWWVZGQDQNY-ZFWWWQNUSA-N 1 0 350.444 2.522 20 5 FFBDRO C[NH+](C)CCn1nccc1NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000297882405 511098733 /nfs/dbraw/zinc/09/87/33/511098733.db2.gz VCPGBBBIWMLOOF-UHFFFAOYSA-N 1 0 371.319 2.624 20 5 FFBDRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000294604453 511117062 /nfs/dbraw/zinc/11/70/62/511117062.db2.gz VIIYIAKPYHDXJH-JSGCOSHPSA-N 1 0 357.332 2.970 20 5 FFBDRO O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000294729423 511159159 /nfs/dbraw/zinc/15/91/59/511159159.db2.gz NGNVTKAZKDOQCR-INIZCTEOSA-N 1 0 369.425 2.685 20 5 FFBDRO C[C@H](O)C[C@H]1CCCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000279716832 511188216 /nfs/dbraw/zinc/18/82/16/511188216.db2.gz INFUBNLXAWDBFO-QWHCGFSZSA-N 1 0 353.394 2.688 20 5 FFBDRO O=S1(=O)CC[C@](O)(C[NH2+]Cc2c3ccccc3cc3ccccc32)C1 ZINC000294840430 511196155 /nfs/dbraw/zinc/19/61/55/511196155.db2.gz RBUNTQRPCLPGKH-FQEVSTJZSA-N 1 0 355.459 2.632 20 5 FFBDRO C[NH+]1CCC(NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000279810367 511223681 /nfs/dbraw/zinc/22/36/81/511223681.db2.gz XGFCEEOYCDZHKY-UHFFFAOYSA-N 1 0 360.336 2.507 20 5 FFBDRO O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCCC[C@@H]1CCC[NH2+]1 ZINC000294950572 511232898 /nfs/dbraw/zinc/23/28/98/511232898.db2.gz VXEKYVITMNACNM-INIZCTEOSA-N 1 0 363.461 2.803 20 5 FFBDRO COC(=O)[C@@H]1CCO[C@H]1C1CC[NH+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000298306341 511241450 /nfs/dbraw/zinc/24/14/50/511241450.db2.gz PXAGEVLTKUUUAU-XWIAVFTESA-N 1 0 362.426 2.946 20 5 FFBDRO CCN(Cc1c([N+](=O)[O-])ncn1C)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000362852293 511251545 /nfs/dbraw/zinc/25/15/45/511251545.db2.gz PTQMKMVZWUNDKC-WBVHZDCISA-N 1 0 357.458 2.986 20 5 FFBDRO CC(C)c1ccc(C[N@H+]2C[C@@H](c3cnn(C)c3)[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000365133720 511276625 /nfs/dbraw/zinc/27/66/25/511276625.db2.gz DLPGHEPLOYVIKQ-WMZOPIPTSA-N 1 0 358.442 2.660 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1SC ZINC000362958217 511279252 /nfs/dbraw/zinc/27/92/52/511279252.db2.gz PDPLYUNKRPDHQR-RYUDHWBXSA-N 1 0 365.455 2.682 20 5 FFBDRO COc1cccc(C2([NH2+]CC(=O)N(C)c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000271664637 511279758 /nfs/dbraw/zinc/27/97/58/511279758.db2.gz BGPGYKFULFAGDM-UHFFFAOYSA-N 1 0 355.394 2.845 20 5 FFBDRO CCCC[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(OC)cc1 ZINC000271787137 511324463 /nfs/dbraw/zinc/32/44/63/511324463.db2.gz HGUWOQJNBOALRI-AEFFLSMTSA-N 1 0 362.430 2.682 20 5 FFBDRO O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000365229137 511329101 /nfs/dbraw/zinc/32/91/01/511329101.db2.gz VCYNKZWKDXALFD-FZMZJTMJSA-N 1 0 358.423 2.542 20 5 FFBDRO C[C@H]1CN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC[N@@H+](C2CC2)C1 ZINC000295422045 511400085 /nfs/dbraw/zinc/40/00/85/511400085.db2.gz UBMWVALXNKRCLM-CYBMUJFWSA-N 1 0 356.426 2.561 20 5 FFBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000333984594 511413915 /nfs/dbraw/zinc/41/39/15/511413915.db2.gz CERYVZBOLRYYJN-ONGXEEELSA-N 1 0 370.247 2.878 20 5 FFBDRO C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Br)CC[N@@H+]1C ZINC000334042152 511435843 /nfs/dbraw/zinc/43/58/43/511435843.db2.gz GXXHGVMEUPLHPR-VHSXEESVSA-N 1 0 356.220 2.570 20 5 FFBDRO COc1cc(CN2CC[C@@]3(CC[N@H+](C)C3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000292155560 511487331 /nfs/dbraw/zinc/48/73/31/511487331.db2.gz OBAZBELCPVDBLW-QGZVFWFLSA-N 1 0 371.384 2.732 20 5 FFBDRO C[C@H]([NH2+]Cc1ccnc(OC2CCOCC2)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284046161 511586130 /nfs/dbraw/zinc/58/61/30/511586130.db2.gz KBHSDXHRDYCBIY-ZDUSSCGKSA-N 1 0 372.425 2.981 20 5 FFBDRO Cc1cc(OCC(=O)N2CCC(CCC[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000280754815 511589566 /nfs/dbraw/zinc/58/95/66/511589566.db2.gz GEYSTEDIJIYVAU-UHFFFAOYSA-N 1 0 363.458 2.862 20 5 FFBDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)C2)C1 ZINC000292437241 511597169 /nfs/dbraw/zinc/59/71/69/511597169.db2.gz WPVOPACLBMFAHN-GOSISDBHSA-N 1 0 372.450 2.886 20 5 FFBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000363690107 511705826 /nfs/dbraw/zinc/70/58/26/511705826.db2.gz HQZONJKXAXGAHB-BBRMVZONSA-N 1 0 357.414 2.876 20 5 FFBDRO C[C@H]([NH2+][C@H]1CCN(C)[C@H]1c1ccccc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000284417803 511714989 /nfs/dbraw/zinc/71/49/89/511714989.db2.gz XRQWWNJLTSHVJB-FNHZYXHNSA-N 1 0 368.437 2.957 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC=C(c3ccc(Cl)cc3)CC2)c1 ZINC000365934632 511736779 /nfs/dbraw/zinc/73/67/79/511736779.db2.gz RBVVXWWKKJAMAZ-QGZVFWFLSA-N 1 0 362.817 2.595 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)CCOc2cc(C)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000281157856 511741839 /nfs/dbraw/zinc/74/18/39/511741839.db2.gz CHELTEWVFGWGKW-CVEARBPZSA-N 1 0 363.458 2.861 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000296479907 511759930 /nfs/dbraw/zinc/75/99/30/511759930.db2.gz YGRYLAVLGPEAQT-ZTFGCOKTSA-N 1 0 359.426 2.779 20 5 FFBDRO COc1ccc(CNC(=O)NCCCCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000296511664 511774590 /nfs/dbraw/zinc/77/45/90/511774590.db2.gz ZJWAXLQCZQCFMM-UHFFFAOYSA-N 1 0 364.446 2.669 20 5 FFBDRO NC(=O)c1ccc(N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000311246234 511776322 /nfs/dbraw/zinc/77/63/22/511776322.db2.gz HQSXGEWNZXAWLE-MRXNPFEDSA-N 1 0 354.410 2.770 20 5 FFBDRO COc1ccc(-c2nc([C@@H]3C[N@@H+]4CCC[C@]4(C)CO3)no2)cc1[N+](=O)[O-] ZINC000350359815 511791100 /nfs/dbraw/zinc/79/11/00/511791100.db2.gz SIMZFLJNYZPBRN-WMLDXEAASA-N 1 0 360.370 2.579 20 5 FFBDRO O=[N+]([O-])c1ccc2c(ccnc2N2CCC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000296725360 511871622 /nfs/dbraw/zinc/87/16/22/511871622.db2.gz HWGATAWIGUVAIG-OAHLLOKOSA-N 1 0 356.426 2.692 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000327797340 511882468 /nfs/dbraw/zinc/88/24/68/511882468.db2.gz DYHWYQLGCJUZTN-MRXNPFEDSA-N 1 0 363.439 2.662 20 5 FFBDRO CC(C)c1n[nH]c(C(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000274699452 511913585 /nfs/dbraw/zinc/91/35/85/511913585.db2.gz NFYMDEHIAMSEQR-BLLLJJGKSA-N 1 0 359.430 2.863 20 5 FFBDRO CC(C)(CCC(=O)N1CCc2c(ncn2CCc2ccccc2)C1)[N+](=O)[O-] ZINC000297166046 512045220 /nfs/dbraw/zinc/04/52/20/512045220.db2.gz PEXVGGSHBDVVGY-UHFFFAOYSA-N 1 0 370.453 2.846 20 5 FFBDRO C[C@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])C1CCS(=O)(=O)CC1 ZINC000275158254 512058900 /nfs/dbraw/zinc/05/89/00/512058900.db2.gz AAIKOENPPADDOU-NSHDSACASA-N 1 0 360.863 2.594 20 5 FFBDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3ccc(-n4cccn4)cc3)CC2)n1 ZINC000369691071 512556193 /nfs/dbraw/zinc/55/61/93/512556193.db2.gz CNMHOOYIQTWYIO-UHFFFAOYSA-N 1 0 352.398 2.814 20 5 FFBDRO C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2CCOc2ccccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000374028062 512629725 /nfs/dbraw/zinc/62/97/25/512629725.db2.gz VYVMGPPATCRFJP-ZACQAIPSSA-N 1 0 363.458 2.547 20 5 FFBDRO CCC[C@H]([NH2+]C[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O)c1cccc([N+](=O)[O-])c1 ZINC000369845310 512642436 /nfs/dbraw/zinc/64/24/36/512642436.db2.gz JHGWQBVXRYIVGS-URLQWDBASA-N 1 0 374.441 2.746 20 5 FFBDRO CCC[C@H]([NH2+]C[C@@H]1CCC[C@]12NC(=O)N(C)C2=O)c1cccc([N+](=O)[O-])c1 ZINC000369845308 512642823 /nfs/dbraw/zinc/64/28/23/512642823.db2.gz JHGWQBVXRYIVGS-QOKNQOGYSA-N 1 0 374.441 2.746 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000378252074 512659092 /nfs/dbraw/zinc/65/90/92/512659092.db2.gz TURVLQVAVSCMMW-INWMFGNUSA-N 1 0 367.833 2.572 20 5 FFBDRO O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)c1ccc([N+](=O)[O-])cn1 ZINC000372013412 512679187 /nfs/dbraw/zinc/67/91/87/512679187.db2.gz MNOVRMLBMBZGBF-UHFFFAOYSA-N 1 0 358.373 2.523 20 5 FFBDRO Cn1cc(CN2CCC[N@@H+]3CCC[C@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000378349301 512710072 /nfs/dbraw/zinc/71/00/72/512710072.db2.gz JHJSEEJXNHGQKO-SFHVURJKSA-N 1 0 355.442 2.665 20 5 FFBDRO CCN(C(=O)c1nn(C)cc1[N+](=O)[O-])[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000378406449 512743702 /nfs/dbraw/zinc/74/37/02/512743702.db2.gz UONIMWCDACWSTO-ZBFHGGJFSA-N 1 0 371.441 2.626 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCC[C@H]1C[C@@H](C)O ZINC000411681010 512755182 /nfs/dbraw/zinc/75/51/82/512755182.db2.gz VQHHDLBJNFAFON-KGLIPLIRSA-N 1 0 365.430 2.557 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CC[C@H](C4CCOCC4)C3)n2)c1 ZINC000374357719 512787480 /nfs/dbraw/zinc/78/74/80/512787480.db2.gz KBMITQPQPASLHZ-HNNXBMFYSA-N 1 0 358.398 2.893 20 5 FFBDRO NC(=O)c1ccc(C[NH2+][C@H](c2ccccc2)[C@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000378529114 512808464 /nfs/dbraw/zinc/80/84/64/512808464.db2.gz UDRBQJUCUFCFIY-FUHWJXTLSA-N 1 0 355.394 2.561 20 5 FFBDRO O=C(CC[N@@H+]1CC[C@H](OCc2ccncc2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000376517406 512854142 /nfs/dbraw/zinc/85/41/42/512854142.db2.gz JNNIWDWPKHTABY-SFHVURJKSA-N 1 0 370.409 2.610 20 5 FFBDRO CO[C@H]1c2ccccc2C[C@H]1[NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000411888146 512862004 /nfs/dbraw/zinc/86/20/04/512862004.db2.gz AGDISFXWWSAUMN-XZOAIXRZSA-N 1 0 355.394 2.824 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC([C@H]2CCOC2)CC1 ZINC000378645309 512863973 /nfs/dbraw/zinc/86/39/73/512863973.db2.gz MWKYBESPJUZNOS-INIZCTEOSA-N 1 0 361.442 2.980 20 5 FFBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3Br)C[C@@H]21 ZINC000368255005 512867442 /nfs/dbraw/zinc/86/74/42/512867442.db2.gz QUADRAYZSZJKCF-LJWDBELGSA-N 1 0 368.231 2.557 20 5 FFBDRO C[C@@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC[C@H]1[NH+]1CCN(C)CC1 ZINC000376636959 512912207 /nfs/dbraw/zinc/91/22/07/512912207.db2.gz NCJFKCGVOAYZBC-RHSMWYFYSA-N 1 0 366.893 2.706 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(NCCN2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000390918794 512913718 /nfs/dbraw/zinc/91/37/18/512913718.db2.gz CTIOEECDVLLFPU-UHFFFAOYSA-N 1 0 355.442 2.528 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(CC(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)c1F ZINC000412055233 512934760 /nfs/dbraw/zinc/93/47/60/512934760.db2.gz OIROXQMASBYIAV-BETUJISGSA-N 1 0 367.421 2.664 20 5 FFBDRO C[C@@H]1CN(c2nc3ccccc3cc2[N+](=O)[O-])CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000370446383 512939386 /nfs/dbraw/zinc/93/93/86/512939386.db2.gz CYYYSMVSIASOJN-QAPCUYQASA-N 1 0 369.469 2.605 20 5 FFBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)N(C)C[C@@H]1C ZINC000408003329 512982629 /nfs/dbraw/zinc/98/26/29/512982629.db2.gz DZSIQOLWKVYIFY-ZJUUUORDSA-N 1 0 370.247 2.830 20 5 FFBDRO C[NH+](C)CC1CCC(NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)CC1 ZINC000450309417 513135849 /nfs/dbraw/zinc/13/58/49/513135849.db2.gz STVOQBORGOIUNP-UHFFFAOYSA-N 1 0 371.441 2.835 20 5 FFBDRO C[C@H]1CCCN(c2ccc(C(=O)N3CCC[C@H](C[NH3+])C3)cc2[N+](=O)[O-])C1 ZINC000428607792 513140859 /nfs/dbraw/zinc/14/08/59/513140859.db2.gz SEMGUPQUUIBCAT-LSDHHAIUSA-N 1 0 360.458 2.642 20 5 FFBDRO C[N@@H+]1CCCC[C@H]1CN1CCN(c2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000450322597 513143506 /nfs/dbraw/zinc/14/35/06/513143506.db2.gz ARPCCOFAPDKLHT-INIZCTEOSA-N 1 0 369.469 2.749 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2csc(NCC[NH+]3CCSCC3)n2)cc1 ZINC000450331151 513145971 /nfs/dbraw/zinc/14/59/71/513145971.db2.gz QOCIBZWEXRKIBJ-UHFFFAOYSA-N 1 0 350.469 2.601 20 5 FFBDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000439684850 513161749 /nfs/dbraw/zinc/16/17/49/513161749.db2.gz MKMUTHFSTGZHNP-INIZCTEOSA-N 1 0 363.458 2.990 20 5 FFBDRO [NH3+][C@H](CNC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000417722254 513180253 /nfs/dbraw/zinc/18/02/53/513180253.db2.gz VDRRKGYKKZTXRE-GOSISDBHSA-N 1 0 356.426 2.917 20 5 FFBDRO COC(=O)[C@@]1(c2ccccc2)CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000428811719 513198490 /nfs/dbraw/zinc/19/84/90/513198490.db2.gz WFFIHALNFKIAHP-FQEVSTJZSA-N 1 0 354.406 2.954 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC000439888180 513204931 /nfs/dbraw/zinc/20/49/31/513204931.db2.gz NBDQLZCZLAPOSL-QWHCGFSZSA-N 1 0 350.419 2.940 20 5 FFBDRO C[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CCC[NH2+]C1 ZINC000428975741 513238053 /nfs/dbraw/zinc/23/80/53/513238053.db2.gz HEUCBFIMLBEHDW-YPMHNXCESA-N 1 0 360.439 2.836 20 5 FFBDRO Cc1nc(N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)ncc1[N+](=O)[O-] ZINC000450537584 513240563 /nfs/dbraw/zinc/24/05/63/513240563.db2.gz DZGPVLMVAWHSSJ-IAGOWNOFSA-N 1 0 353.426 2.652 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)cc1C ZINC000440077454 513240904 /nfs/dbraw/zinc/24/09/04/513240904.db2.gz LFWFUPGXMAVFSJ-DOMZBBRYSA-N 1 0 369.487 2.610 20 5 FFBDRO CC[NH+](CC)C[C@@H](C)NS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000440079260 513242690 /nfs/dbraw/zinc/24/26/90/513242690.db2.gz XCARBWHVDUIQJJ-SNVBAGLBSA-N 1 0 363.867 2.565 20 5 FFBDRO O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000415430060 513256353 /nfs/dbraw/zinc/25/63/53/513256353.db2.gz BWDYPVIBYUDTEU-LLVKDONJSA-N 1 0 358.320 2.972 20 5 FFBDRO COc1cc(CN2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000429039196 513264285 /nfs/dbraw/zinc/26/42/85/513264285.db2.gz HIZBCVVEPVTHON-DVOMOZLQSA-N 1 0 351.422 2.905 20 5 FFBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000417939169 513291894 /nfs/dbraw/zinc/29/18/94/513291894.db2.gz KFSWXBAQFJOKLJ-FUHWJXTLSA-N 1 0 360.458 2.701 20 5 FFBDRO CC(C)[C@@H]([NH3+])CNC(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000429152592 513292677 /nfs/dbraw/zinc/29/26/77/513292677.db2.gz XDBSQSAIGCVLOB-LZWOXQAQSA-N 1 0 362.474 2.790 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@@]3(CCCc4ccccc43)C2)c1 ZINC000440326299 513293924 /nfs/dbraw/zinc/29/39/24/513293924.db2.gz MGKIUGDNHLQJON-ICSRJNTNSA-N 1 0 370.453 2.522 20 5 FFBDRO CCc1ccccc1[C@H]([NH3+])CNC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000415506880 513299482 /nfs/dbraw/zinc/29/94/82/513299482.db2.gz SGUPGQOAHGJTQT-OAHLLOKOSA-N 1 0 358.398 2.987 20 5 FFBDRO C[C@H]1C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)Cc2ccccc2O1 ZINC000429183467 513300534 /nfs/dbraw/zinc/30/05/34/513300534.db2.gz FLNWKIHXRKQASK-YOEHRIQHSA-N 1 0 358.394 2.618 20 5 FFBDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000417988503 513319543 /nfs/dbraw/zinc/31/95/43/513319543.db2.gz KJDVYNYCAZCFJV-AWEZNQCLSA-N 1 0 356.854 2.806 20 5 FFBDRO CC[N@@H+]1CC[C@@H](NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000412885467 513323626 /nfs/dbraw/zinc/32/36/26/513323626.db2.gz YPYIPAOEIRFREO-GFCCVEGCSA-N 1 0 371.387 2.784 20 5 FFBDRO [NH3+][C@H]1CCC[C@H](CNC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000417997224 513323855 /nfs/dbraw/zinc/32/38/55/513323855.db2.gz TUJUYFBXLUGMGT-FZMZJTMJSA-N 1 0 354.838 2.607 20 5 FFBDRO [NH3+][C@@H]1CCC[C@H](CNC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000417997226 513323904 /nfs/dbraw/zinc/32/39/04/513323904.db2.gz TUJUYFBXLUGMGT-SMDDNHRTSA-N 1 0 354.838 2.607 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000429366192 513354537 /nfs/dbraw/zinc/35/45/37/513354537.db2.gz QVGXFIFKMNINQQ-AWEZNQCLSA-N 1 0 360.458 2.648 20 5 FFBDRO C[C@@H]1CN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC[N@@H+](C2CCC2)C1 ZINC000429370742 513355715 /nfs/dbraw/zinc/35/57/15/513355715.db2.gz FJSMAATWZVLBAN-KXBFYZLASA-N 1 0 372.469 2.506 20 5 FFBDRO Cc1c(NC(=O)NC[C@@H]([NH3+])C2CC2)cc(Br)cc1[N+](=O)[O-] ZINC000415656780 513365012 /nfs/dbraw/zinc/36/50/12/513365012.db2.gz LPAQIBRWCZFMFH-SNVBAGLBSA-N 1 0 357.208 2.525 20 5 FFBDRO Cc1cc(N[C@@H]2CCO[C@@H](c3ccnn3C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000450844726 513364985 /nfs/dbraw/zinc/36/49/85/513364985.db2.gz QAHJASQXPMQDNJ-BFUOFWGJSA-N 1 0 367.409 2.939 20 5 FFBDRO C[C@H]1CN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[C@@H](C)C[NH2+]1 ZINC000418085801 513366798 /nfs/dbraw/zinc/36/67/98/513366798.db2.gz AXVBDGYVTBWFCZ-UWVGGRQHSA-N 1 0 360.336 2.505 20 5 FFBDRO [NH3+][C@H]1CCC[C@@H](NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000418089950 513368973 /nfs/dbraw/zinc/36/89/73/513368973.db2.gz NCNMNHZXTIQDOJ-NWDGAFQWSA-N 1 0 360.336 2.683 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(CC[NH3+])Cc1ccccc1 ZINC000415668501 513369834 /nfs/dbraw/zinc/36/98/34/513369834.db2.gz ZXILNDCCUZOXBV-UHFFFAOYSA-N 1 0 358.398 2.986 20 5 FFBDRO C[NH2+]C[C@@H]1CCCN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000418094000 513370469 /nfs/dbraw/zinc/37/04/69/513370469.db2.gz UCRZROWZZDQCCH-NSHDSACASA-N 1 0 374.363 2.755 20 5 FFBDRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000418105908 513373604 /nfs/dbraw/zinc/37/36/04/513373604.db2.gz BQIBKYGTTIABNK-GJZGRUSLSA-N 1 0 359.426 2.742 20 5 FFBDRO O=C(CC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2)Nc1ccc([N+](=O)[O-])cc1 ZINC000450868255 513375210 /nfs/dbraw/zinc/37/52/10/513375210.db2.gz VVWDRINTFCPZED-KBAYOESNSA-N 1 0 359.426 2.861 20 5 FFBDRO C[NH2+]C[C@@H]1CCN(C(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC000429466243 513383027 /nfs/dbraw/zinc/38/30/27/513383027.db2.gz IDSRWGSQDWRCLW-CABCVRRESA-N 1 0 360.458 2.513 20 5 FFBDRO CC(C)(CO)[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000429701345 513445485 /nfs/dbraw/zinc/44/54/85/513445485.db2.gz KMXYUTAVVXGSLH-SFHVURJKSA-N 1 0 357.410 2.883 20 5 FFBDRO O=[N+]([O-])c1ccc2ccnc(N3CCC[C@H](C[NH+]4CCOCC4)C3)c2c1 ZINC000413135981 513471713 /nfs/dbraw/zinc/47/17/13/513471713.db2.gz KEXSWFMGAQDURH-OAHLLOKOSA-N 1 0 356.426 2.692 20 5 FFBDRO O=C1CCCCCN1CCC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447514422 513494722 /nfs/dbraw/zinc/49/47/22/513494722.db2.gz FAJBOEGTKHRGFP-CVEARBPZSA-N 1 0 363.462 2.657 20 5 FFBDRO CC(C)[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000451075286 513500412 /nfs/dbraw/zinc/50/04/12/513500412.db2.gz AMBOJOGFAWIDFU-KRWDZBQOSA-N 1 0 374.485 2.616 20 5 FFBDRO COc1ccc(OCCN2CCC([NH+]3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000441216337 513514540 /nfs/dbraw/zinc/51/45/40/513514540.db2.gz CWYHNOUSBKIFEO-UHFFFAOYSA-N 1 0 363.458 2.933 20 5 FFBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])c3ncccc23)CC[N@@H+]1C1CCN(C)CC1 ZINC000413219062 513527995 /nfs/dbraw/zinc/52/79/95/513527995.db2.gz KSAYUFNKJSEDKH-OAHLLOKOSA-N 1 0 369.469 2.748 20 5 FFBDRO C[C@@H]1CCNC(=O)[C@H]1[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000441365297 513553146 /nfs/dbraw/zinc/55/31/46/513553146.db2.gz AKKLMHZZMGGCGN-KUHUBIRLSA-N 1 0 368.437 2.977 20 5 FFBDRO CN(C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)C(C)(C)C[NH+]1CCCC1 ZINC000416097846 513570528 /nfs/dbraw/zinc/57/05/28/513570528.db2.gz GIFVPAVDFXNDGE-UHFFFAOYSA-N 1 0 371.441 2.727 20 5 FFBDRO O=[N+]([O-])c1cccc(OCC[NH2+][C@H](C2CCOCC2)C2(CO)CCC2)c1 ZINC000425542443 513629339 /nfs/dbraw/zinc/62/93/39/513629339.db2.gz NRTCJDWSQGGSAU-GOSISDBHSA-N 1 0 364.442 2.521 20 5 FFBDRO CCN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCC[NH2+]CC1 ZINC000435626610 513642515 /nfs/dbraw/zinc/64/25/15/513642515.db2.gz LCJGMAXRYVDFJD-ZDUSSCGKSA-N 1 0 354.838 2.651 20 5 FFBDRO O=C(N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000418783972 513656022 /nfs/dbraw/zinc/65/60/22/513656022.db2.gz GAXSGUOCGLJFQK-NUEKZKHPSA-N 1 0 358.442 2.657 20 5 FFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000418784460 513656722 /nfs/dbraw/zinc/65/67/22/513656722.db2.gz GIZQQMYRHCTXRA-GVDBMIGSSA-N 1 0 360.458 2.903 20 5 FFBDRO C[NH+](C)[C@@H](CC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1ccccc1 ZINC000416228596 513659967 /nfs/dbraw/zinc/65/99/67/513659967.db2.gz YSPMYMNHBONRBL-KRWDZBQOSA-N 1 0 371.441 2.648 20 5 FFBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000451340595 513686927 /nfs/dbraw/zinc/68/69/27/513686927.db2.gz JVXPUFXOVAKAGL-GZOSKZMVSA-N 1 0 361.442 2.937 20 5 FFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000430626522 513706056 /nfs/dbraw/zinc/70/60/56/513706056.db2.gz LMDUTTNTFDFARP-DOMZBBRYSA-N 1 0 351.472 2.970 20 5 FFBDRO [NH3+]CC[C@H]1CCCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000442617599 513746359 /nfs/dbraw/zinc/74/63/59/513746359.db2.gz GUQHGFSNUTYZGH-GFCCVEGCSA-N 1 0 360.439 2.919 20 5 FFBDRO Cc1cc(OCC(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000430802688 513752192 /nfs/dbraw/zinc/75/21/92/513752192.db2.gz OEYQDXTXTHPSFR-MRXNPFEDSA-N 1 0 371.437 2.919 20 5 FFBDRO CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000430820417 513757065 /nfs/dbraw/zinc/75/70/65/513757065.db2.gz KAVDIKFNJZANDT-HZPDHXFCSA-N 1 0 365.478 2.507 20 5 FFBDRO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000430828379 513760133 /nfs/dbraw/zinc/76/01/33/513760133.db2.gz SNGDAYFAWTUWKK-MAUKXSAKSA-N 1 0 363.458 2.990 20 5 FFBDRO CCC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)C1 ZINC000416415094 513761401 /nfs/dbraw/zinc/76/14/01/513761401.db2.gz SSLCSPVOMAZJHQ-OAHLLOKOSA-N 1 0 369.487 2.564 20 5 FFBDRO COc1ccc(NC(=O)[C@H](C)N2CC[NH2+]Cc3ccccc32)c([N+](=O)[O-])c1 ZINC000430960901 513792939 /nfs/dbraw/zinc/79/29/39/513792939.db2.gz AMHWHQSEFCDVBY-ZDUSSCGKSA-N 1 0 370.409 2.540 20 5 FFBDRO C[N@H+](CCNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)C1CC1 ZINC000436304603 513822183 /nfs/dbraw/zinc/82/21/83/513822183.db2.gz GTTHMMUDRKMTTJ-UHFFFAOYSA-N 1 0 371.387 2.784 20 5 FFBDRO CCOc1cc(NC(=O)NC(C)(C)CC[NH3+])c([N+](=O)[O-])cc1OCC ZINC000422560922 513845011 /nfs/dbraw/zinc/84/50/11/513845011.db2.gz ZNKVFSJLDPLUEF-UHFFFAOYSA-N 1 0 354.407 2.641 20 5 FFBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)[N@@H+]1CCCC[C@@H]1C ZINC000448699176 513852723 /nfs/dbraw/zinc/85/27/23/513852723.db2.gz SMHIYWVZXWZRMW-LSDHHAIUSA-N 1 0 371.441 2.773 20 5 FFBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000448706582 513856322 /nfs/dbraw/zinc/85/63/22/513856322.db2.gz ZIGMNKISNLXKOM-CABCVRRESA-N 1 0 371.441 2.631 20 5 FFBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)C[NH+]1CCCCC1 ZINC000448751167 513880346 /nfs/dbraw/zinc/88/03/46/513880346.db2.gz KQKZRCOGWQMOTO-HNNXBMFYSA-N 1 0 371.441 2.632 20 5 FFBDRO CC(C)C[C@@H](C[NH+]1CCCC1)NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000451654922 513891420 /nfs/dbraw/zinc/89/14/20/513891420.db2.gz WPDONHWFNKFJKT-INIZCTEOSA-N 1 0 369.487 2.525 20 5 FFBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431495425 513911893 /nfs/dbraw/zinc/91/18/93/513911893.db2.gz JHIWEFPKLPDWEY-OTYXRUKQSA-N 1 0 368.231 2.570 20 5 FFBDRO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000451770861 513969703 /nfs/dbraw/zinc/96/97/03/513969703.db2.gz FPNUBGTWSLHBHC-NEPJUHHUSA-N 1 0 369.805 2.508 20 5 FFBDRO CC[NH+](CC)CCCCNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448975320 514002109 /nfs/dbraw/zinc/00/21/09/514002109.db2.gz OEYOWKPTNZLSSF-UHFFFAOYSA-N 1 0 359.430 2.632 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCCN1 ZINC000423036625 514013184 /nfs/dbraw/zinc/01/31/84/514013184.db2.gz ATXACKXNUIHPIN-ARFHVFGLSA-N 1 0 353.850 2.537 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@H](CO)c2ccc(F)cc2)n1 ZINC000414295080 514038086 /nfs/dbraw/zinc/03/80/86/514038086.db2.gz QPVRIWRQBGMGJW-HYVNUMGLSA-N 1 0 362.405 2.780 20 5 FFBDRO CN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000431942251 514047183 /nfs/dbraw/zinc/04/71/83/514047183.db2.gz YWTPKNIYHBOLEB-ZDUSSCGKSA-N 1 0 368.231 2.666 20 5 FFBDRO COC(=O)c1ccccc1C(=O)c1ccc(NCCCC[NH3+])c([N+](=O)[O-])c1 ZINC000420244637 514058301 /nfs/dbraw/zinc/05/83/01/514058301.db2.gz YTZNIYAVLJAIBU-UHFFFAOYSA-N 1 0 371.393 2.763 20 5 FFBDRO CC1(C)CCC[NH2+][C@@H]1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000423226387 514085463 /nfs/dbraw/zinc/08/54/63/514085463.db2.gz QNDFRCJDSNDDQW-QGZVFWFLSA-N 1 0 361.442 2.743 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1nnnn1-c1ccccc1 ZINC000449138593 514089078 /nfs/dbraw/zinc/08/90/78/514089078.db2.gz CMSQOPGCGJKTJN-KGLIPLIRSA-N 1 0 352.398 2.852 20 5 FFBDRO O=C(C[N@@H+]1CCC[C@]2(CCSC2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000451963610 514098294 /nfs/dbraw/zinc/09/82/94/514098294.db2.gz HQUXUUJHQWGRNW-SFHVURJKSA-N 1 0 361.467 2.703 20 5 FFBDRO COCC[NH+](CCOC)C1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000432168822 514115108 /nfs/dbraw/zinc/11/51/08/514115108.db2.gz GPFWCHVLFPLNRX-UHFFFAOYSA-N 1 0 371.865 2.812 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2noc(CN3CC[NH2+]C[C@H]3c3ccccc3)n2)cc1 ZINC000420399378 514131609 /nfs/dbraw/zinc/13/16/09/514131609.db2.gz HMXWSACKIOKEFE-KRWDZBQOSA-N 1 0 365.393 2.791 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NCc2ccc([C@@H](C)[NH3+])cc2)c1 ZINC000420445024 514150042 /nfs/dbraw/zinc/15/00/42/514150042.db2.gz HIIYJGPAFZYXBI-CYBMUJFWSA-N 1 0 363.439 2.710 20 5 FFBDRO CN(C)C(=O)CC[NH+]1CCC(Nc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000432312788 514156975 /nfs/dbraw/zinc/15/69/75/514156975.db2.gz IGRYRGDYSQRUDY-UHFFFAOYSA-N 1 0 354.838 2.603 20 5 FFBDRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])C[C@@H]12 ZINC000423526489 514161990 /nfs/dbraw/zinc/16/19/90/514161990.db2.gz LIZQQLQMSUFXFN-YUSALJHKSA-N 1 0 355.847 2.536 20 5 FFBDRO CC(C)[C@@H](CNc1ccnc2c1cccc2[N+](=O)[O-])[NH+]1CCN(C)CC1 ZINC000432334167 514163112 /nfs/dbraw/zinc/16/31/12/514163112.db2.gz JELVQILGJNZKMC-GOSISDBHSA-N 1 0 357.458 2.827 20 5 FFBDRO C[C@H](NC(=O)NCCC[NH2+]Cc1cccnc1)c1cccc([N+](=O)[O-])c1 ZINC000417125231 514180844 /nfs/dbraw/zinc/18/08/44/514180844.db2.gz BDHBBXOBKRJKMA-AWEZNQCLSA-N 1 0 357.414 2.530 20 5 FFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000423605966 514181407 /nfs/dbraw/zinc/18/14/07/514181407.db2.gz HUZRXYDZNMAPBP-LSDHHAIUSA-N 1 0 355.394 2.560 20 5 FFBDRO COc1cc(C(=O)N(CCC[NH3+])Cc2ccccc2)cc([N+](=O)[O-])c1C ZINC000423629436 514188619 /nfs/dbraw/zinc/18/86/19/514188619.db2.gz XGWGAMKQNUTCLM-UHFFFAOYSA-N 1 0 357.410 2.903 20 5 FFBDRO C[C@H](NC(=O)N(CC[NH3+])CCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000417145713 514191457 /nfs/dbraw/zinc/19/14/57/514191457.db2.gz XHRNKGBLPJNUBL-HNNXBMFYSA-N 1 0 356.426 2.869 20 5 FFBDRO O=C(NCC[N@H+]1CC=CCC1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000432425858 514191520 /nfs/dbraw/zinc/19/15/20/514191520.db2.gz OGQSDONGBPZGLW-UHFFFAOYSA-N 1 0 358.320 2.997 20 5 FFBDRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)c1cc(F)cc2c1[nH]c1c(F)cccc1c2=O ZINC000423655216 514193904 /nfs/dbraw/zinc/19/39/04/514193904.db2.gz UVSBAGUXMCZTMM-VFZGTOFNSA-N 1 0 357.360 2.521 20 5 FFBDRO COC[C@@H]1CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000452106528 514195371 /nfs/dbraw/zinc/19/53/71/514195371.db2.gz QUOAIJDXBUKFFY-CQSZACIVSA-N 1 0 365.430 2.681 20 5 FFBDRO CC(C)C[C@H]([NH3+])c1noc(-c2cccc([N+](=O)[O-])c2N2CCOCC2)n1 ZINC000414614547 514206305 /nfs/dbraw/zinc/20/63/05/514206305.db2.gz HFSLALHNXXGKKC-ZDUSSCGKSA-N 1 0 361.402 2.527 20 5 FFBDRO COc1cc(C[NH2+][C@@H]2CCO[C@H](c3ccncc3)C2)c([N+](=O)[O-])cc1O ZINC000449543596 514248649 /nfs/dbraw/zinc/24/86/49/514248649.db2.gz TXBPGSCOIYIEIU-PBHICJAKSA-N 1 0 359.382 2.714 20 5 FFBDRO [NH3+][C@H]1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000449647885 514281162 /nfs/dbraw/zinc/28/11/62/514281162.db2.gz PZJHRGYSLOIBIX-UWVGGRQHSA-N 1 0 356.220 2.605 20 5 FFBDRO CS(=O)(=O)CC1(C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000417308789 514287867 /nfs/dbraw/zinc/28/78/67/514287867.db2.gz IJAOVAFMELKIIB-MRXNPFEDSA-N 1 0 352.456 2.777 20 5 FFBDRO CCS(=O)(=O)N(C)CCC[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417323824 514294413 /nfs/dbraw/zinc/29/44/13/514294413.db2.gz PFCWDAMUNFEUSP-QGZVFWFLSA-N 1 0 369.487 2.624 20 5 FFBDRO CCCOc1cc(NC(=O)N2CC[NH2+]CC2)c([N+](=O)[O-])cc1OCCC ZINC000414794531 514296363 /nfs/dbraw/zinc/29/63/63/514296363.db2.gz UCKWVFCYAUKTMX-UHFFFAOYSA-N 1 0 366.418 2.610 20 5 FFBDRO Cc1cc(Br)ccc1C[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000444708069 514299806 /nfs/dbraw/zinc/29/98/06/514299806.db2.gz YVCNEZIUWGEEFY-UHFFFAOYSA-N 1 0 353.220 2.994 20 5 FFBDRO C[C@H]1CCCN(c2ccc(C(=O)N[C@H](C[NH3+])C(C)(C)C)cc2[N+](=O)[O-])C1 ZINC000423954353 514305263 /nfs/dbraw/zinc/30/52/63/514305263.db2.gz RXLBLMQCMFXVLC-SUMWQHHRSA-N 1 0 362.474 2.934 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000423958781 514309073 /nfs/dbraw/zinc/30/90/73/514309073.db2.gz MNFVDUAWOUTCOV-MFKMUULPSA-N 1 0 355.822 2.649 20 5 FFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000423971008 514314646 /nfs/dbraw/zinc/31/46/46/514314646.db2.gz JWHZUBVOBRLSPO-BBRMVZONSA-N 1 0 351.834 2.781 20 5 FFBDRO O=C(Nc1nc(C2CC[NH2+]CC2)cs1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000423977308 514317879 /nfs/dbraw/zinc/31/78/79/514317879.db2.gz IEGMVJLNWMHROE-UHFFFAOYSA-N 1 0 372.410 2.647 20 5 FFBDRO O=C(c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000449741463 514329195 /nfs/dbraw/zinc/32/91/95/514329195.db2.gz UVUZUOWUXVFAMF-APWZRJJASA-N 1 0 366.421 2.641 20 5 FFBDRO CC[NH+](CC)CCOc1ccc(NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000444852775 514351063 /nfs/dbraw/zinc/35/10/63/514351063.db2.gz DBXCAAUXUUQFNP-UHFFFAOYSA-N 1 0 374.397 2.668 20 5 FFBDRO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000424040896 514354712 /nfs/dbraw/zinc/35/47/12/514354712.db2.gz MKEULUPKTXMCDY-SFHVURJKSA-N 1 0 360.458 2.633 20 5 FFBDRO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000414940554 514364949 /nfs/dbraw/zinc/36/49/49/514364949.db2.gz BSJRYICPVMNOHS-MRXNPFEDSA-N 1 0 370.356 2.804 20 5 FFBDRO C[C@@H]1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@H]1C[NH3+] ZINC000414946706 514369698 /nfs/dbraw/zinc/36/96/98/514369698.db2.gz JXHLKHLERGOOSP-NXEZZACHSA-N 1 0 358.345 2.645 20 5 FFBDRO CCN(CCC[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)S(C)(=O)=O ZINC000433138527 514395808 /nfs/dbraw/zinc/39/58/08/514395808.db2.gz SJGUPFCRJSRYMT-INIZCTEOSA-N 1 0 369.487 2.578 20 5 FFBDRO CC[C@@H]1C[NH+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C[C@@H](CC)O1 ZINC000420949224 514397070 /nfs/dbraw/zinc/39/70/70/514397070.db2.gz FEHMPKLDFJOXEH-HUUCEWRRSA-N 1 0 363.414 2.782 20 5 FFBDRO Cc1cc(NC(=O)C2CC[NH+]([C@H](C)c3ccccc3[N+](=O)[O-])CC2)no1 ZINC000438647652 514420016 /nfs/dbraw/zinc/42/00/16/514420016.db2.gz IAPMLHZLWREVIQ-CYBMUJFWSA-N 1 0 358.398 2.725 20 5 FFBDRO C[C@H]1CC2(CN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl)CC[NH2+]CC2 ZINC000424222187 514421467 /nfs/dbraw/zinc/42/14/67/514421467.db2.gz DABWXVUMVIHIQF-LBPRGKRZSA-N 1 0 351.834 2.781 20 5 FFBDRO CC1(C)C[C@H]([NH2+]C[C@@H]2CCCCS2(=O)=O)c2cc([N+](=O)[O-])ccc21 ZINC000433219028 514426499 /nfs/dbraw/zinc/42/64/99/514426499.db2.gz ILVOPXSGXFPDLU-BBRMVZONSA-N 1 0 352.456 2.874 20 5 FFBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)c1nc(C2([NH3+])CCCCC2)no1 ZINC000424338490 514459437 /nfs/dbraw/zinc/45/94/37/514459437.db2.gz AHGUKMWYGVFIJK-NSHDSACASA-N 1 0 363.422 2.701 20 5 FFBDRO Cc1ccc([C@@H](CNc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)[NH+](C)C)cc1 ZINC000439156452 514501717 /nfs/dbraw/zinc/50/17/17/514501717.db2.gz DDBSGKLUHPXCKI-QGZVFWFLSA-N 1 0 367.409 2.689 20 5 FFBDRO CCOC(=O)[C@@]1(COC)CCC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000439484835 514562934 /nfs/dbraw/zinc/56/29/34/514562934.db2.gz FTFLJRHNYIJMST-KDOFPFPSSA-N 1 0 350.415 2.948 20 5 FFBDRO COCC[NH+]1CCC(Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CC1 ZINC000450279777 514578872 /nfs/dbraw/zinc/57/88/72/514578872.db2.gz WFFFVSWSYJDHHK-UHFFFAOYSA-N 1 0 362.455 2.663 20 5 FFBDRO CCCN(CC[NH+](CC)CC)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000461354381 514579656 /nfs/dbraw/zinc/57/96/56/514579656.db2.gz QIDBOFFSRWAOFC-UHFFFAOYSA-N 1 0 362.474 2.538 20 5 FFBDRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000497740584 514618083 /nfs/dbraw/zinc/61/80/83/514618083.db2.gz WXQAHEQCCDNKOY-UHFFFAOYSA-N 1 0 350.444 2.969 20 5 FFBDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC000484513135 514671705 /nfs/dbraw/zinc/67/17/05/514671705.db2.gz IPCYBDAODOASBW-YCPHGPKFSA-N 1 0 360.458 2.640 20 5 FFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000470964748 514695741 /nfs/dbraw/zinc/69/57/41/514695741.db2.gz AZNMHIGYGXBUQM-HNNXBMFYSA-N 1 0 361.442 2.988 20 5 FFBDRO C[NH+](C)CC1(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CCC1 ZINC000466580343 514699904 /nfs/dbraw/zinc/69/99/04/514699904.db2.gz CWOXQEGDXOCJSZ-UHFFFAOYSA-N 1 0 360.439 2.932 20 5 FFBDRO CCN(CCC[NH+](CC)CC)C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000508198640 514703226 /nfs/dbraw/zinc/70/32/26/514703226.db2.gz WRPAXEGHCRRSHX-UHFFFAOYSA-N 1 0 373.457 2.975 20 5 FFBDRO C[NH+](C)CCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])s2)cc1F ZINC000458323762 514709855 /nfs/dbraw/zinc/70/98/55/514709855.db2.gz RVUFKOLZQJEKKN-UHFFFAOYSA-N 1 0 353.375 2.988 20 5 FFBDRO Cc1nc(N2CCC([NH2+]CCOc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000471051363 514733058 /nfs/dbraw/zinc/73/30/58/514733058.db2.gz YHWMPLPRGCMANC-UHFFFAOYSA-N 1 0 356.426 2.936 20 5 FFBDRO COc1cc(C[N@@H+]2CCC[C@@H](CNC(=O)C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000489221011 514757263 /nfs/dbraw/zinc/75/72/63/514757263.db2.gz CZFVSDNGVRMPPE-HNNXBMFYSA-N 1 0 363.458 2.978 20 5 FFBDRO COCC[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@H]1CC[C@H](C)C1 ZINC000484890433 514832445 /nfs/dbraw/zinc/83/24/45/514832445.db2.gz FJMQPTAUFUPJGB-HOCLYGCPSA-N 1 0 361.442 2.621 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)CCOc2ccc(OC)cc2[N+](=O)[O-])C[C@@H]1C ZINC000484919893 514845040 /nfs/dbraw/zinc/84/50/40/514845040.db2.gz MFPHFDPDUJCQFH-LSDHHAIUSA-N 1 0 351.447 2.787 20 5 FFBDRO C[C@@H]([NH2+]CCCN1C(=O)NC2(CCCC2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000480149091 514855474 /nfs/dbraw/zinc/85/54/74/514855474.db2.gz VGMLNQFKOZIKQI-CYBMUJFWSA-N 1 0 360.414 2.500 20 5 FFBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000467018943 514865237 /nfs/dbraw/zinc/86/52/37/514865237.db2.gz QXCAQBIOZZFGKK-ABAIWWIYSA-N 1 0 372.450 2.931 20 5 FFBDRO C[NH+](C)CC1CCN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000498466923 514915304 /nfs/dbraw/zinc/91/53/04/514915304.db2.gz PQYGRCLBJQVKMG-UHFFFAOYSA-N 1 0 368.865 2.774 20 5 FFBDRO CC[C@H](C)[NH+]1CCN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000458619714 514960433 /nfs/dbraw/zinc/96/04/33/514960433.db2.gz BRNMACIIMIEXFA-ZDUSSCGKSA-N 1 0 368.865 2.916 20 5 FFBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000498553576 514963892 /nfs/dbraw/zinc/96/38/92/514963892.db2.gz GLRMFRUHADSWCK-CHWSQXEVSA-N 1 0 369.849 2.958 20 5 FFBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC000498553578 514965078 /nfs/dbraw/zinc/96/50/78/514965078.db2.gz GLRMFRUHADSWCK-QWHCGFSZSA-N 1 0 369.849 2.958 20 5 FFBDRO O=C1C[C@H]([N@@H+]2CCC3(C2)CCCCC3)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000462273189 514969112 /nfs/dbraw/zinc/96/91/12/514969112.db2.gz BIAQARYZKNXMBG-INIZCTEOSA-N 1 0 357.410 2.883 20 5 FFBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C[C@H]1C ZINC000498567938 514974050 /nfs/dbraw/zinc/97/40/50/514974050.db2.gz XIRNHENQJZLUNZ-CABCVRRESA-N 1 0 360.458 2.750 20 5 FFBDRO Cc1cccc(C[C@H](CO)[NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000467357272 514987043 /nfs/dbraw/zinc/98/70/43/514987043.db2.gz WQJQZAVWTGUJFO-MAUKXSAKSA-N 1 0 371.437 2.814 20 5 FFBDRO CSCC[C@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)C(=O)N(C)C ZINC000489857466 515002133 /nfs/dbraw/zinc/00/21/33/515002133.db2.gz JFWTXYJUXRNZPG-CVEARBPZSA-N 1 0 351.472 2.772 20 5 FFBDRO C[C@H](CC[NH+](C)C)NC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000498648753 515010091 /nfs/dbraw/zinc/01/00/91/515010091.db2.gz KDVKYNYYNOFTSE-LSDHHAIUSA-N 1 0 362.474 2.901 20 5 FFBDRO CC(C)C1CCC([NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000462364905 515014836 /nfs/dbraw/zinc/01/48/36/515014836.db2.gz JQVBRSFAJVXTQI-UHFFFAOYSA-N 1 0 369.487 2.678 20 5 FFBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](CCSC)C(=O)NC)cc1[N+](=O)[O-] ZINC000489908328 515027459 /nfs/dbraw/zinc/02/74/59/515027459.db2.gz NMIADAAMANEHHO-AAEUAGOBSA-N 1 0 355.460 2.512 20 5 FFBDRO C[C@@H](O)C[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)[C@H](C)C1 ZINC000485418760 515033518 /nfs/dbraw/zinc/03/35/18/515033518.db2.gz VQTYRDPKGVYNPA-ZIAGYGMSSA-N 1 0 374.416 2.687 20 5 FFBDRO CCOC(=O)[C@]1(COC)CCCN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000467547091 515043591 /nfs/dbraw/zinc/04/35/91/515043591.db2.gz FFSIEZQUOIRCMK-QGZVFWFLSA-N 1 0 354.378 2.526 20 5 FFBDRO CCOC[C@@H]([NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)C(C)C ZINC000503469720 515045770 /nfs/dbraw/zinc/04/57/70/515045770.db2.gz ZZZZZWKMEGDJTN-CQSZACIVSA-N 1 0 351.403 2.544 20 5 FFBDRO Cc1ccc(C)c(S(=O)(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000480699835 515048533 /nfs/dbraw/zinc/04/85/33/515048533.db2.gz PJLIRYHJBRACAJ-IUODEOHRSA-N 1 0 369.487 2.610 20 5 FFBDRO NC(=O)c1ccc(C[NH2+][C@H]2CCC[C@H]2OCc2ccccc2)c([N+](=O)[O-])c1 ZINC000503523321 515066400 /nfs/dbraw/zinc/06/64/00/515066400.db2.gz PBHJWVXYQYHQGK-PKOBYXMFSA-N 1 0 369.421 2.921 20 5 FFBDRO CC[C@@H](C)[NH+]1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000456519373 515232340 /nfs/dbraw/zinc/23/23/40/515232340.db2.gz AGPISQOWFKRZQW-LLVKDONJSA-N 1 0 370.247 2.914 20 5 FFBDRO CCc1cc(N[C@@H]2CC[N@H+](C)[C@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000462885089 515281900 /nfs/dbraw/zinc/28/19/00/515281900.db2.gz TWJLISKVLYLTLJ-CZUORRHYSA-N 1 0 355.442 2.931 20 5 FFBDRO CN(C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)c1ccc([N+](=O)[O-])c(N)c1F ZINC000486040709 515308431 /nfs/dbraw/zinc/30/84/31/515308431.db2.gz ZSRLGVNSSXYVHL-UGSOOPFHSA-N 1 0 359.405 2.840 20 5 FFBDRO C[C@H]1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000463072974 515359038 /nfs/dbraw/zinc/35/90/38/515359038.db2.gz XRMWKVZCZJRTED-HNNXBMFYSA-N 1 0 368.437 2.795 20 5 FFBDRO O=C(COc1ccccc1)N1CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000509949110 515379085 /nfs/dbraw/zinc/37/90/85/515379085.db2.gz OHLWQDURKUTVKH-OAHLLOKOSA-N 1 0 373.384 2.503 20 5 FFBDRO CC(C)(CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)C[NH+]1CCCC1 ZINC000481585942 515392467 /nfs/dbraw/zinc/39/24/67/515392467.db2.gz JMJLHFAULHPHCW-UHFFFAOYSA-N 1 0 356.426 2.995 20 5 FFBDRO C[C@]1(c2ccccc2)CCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000510089587 515431088 /nfs/dbraw/zinc/43/10/88/515431088.db2.gz WXABREHIBCKDLP-MOPGFXCFSA-N 1 0 358.442 2.596 20 5 FFBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1)[NH+](C)C ZINC000481740406 515448920 /nfs/dbraw/zinc/44/89/20/515448920.db2.gz KHZNJGVIKROBLC-CQSZACIVSA-N 1 0 356.426 2.887 20 5 FFBDRO CC(=Cc1cccc([N+](=O)[O-])c1)CNc1ccc(N2CC[NH+](C)CC2)cn1 ZINC000468644356 515450500 /nfs/dbraw/zinc/45/05/00/515450500.db2.gz AEEWIISTKOBVFU-VBKFSLOCSA-N 1 0 367.453 2.679 20 5 FFBDRO CCOc1cc(N2CC[NH+](CCC(C)(C)OC)CC2)ccc1[N+](=O)[O-] ZINC000481768678 515458541 /nfs/dbraw/zinc/45/85/41/515458541.db2.gz QYSQEBIXRAHYLH-UHFFFAOYSA-N 1 0 351.447 2.931 20 5 FFBDRO C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)Cc1ccc([N+](=O)[O-])cc1F ZINC000491831129 515473529 /nfs/dbraw/zinc/47/35/29/515473529.db2.gz VRFYDPQNKDXLAK-LLVKDONJSA-N 1 0 367.402 2.574 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000486432412 515481230 /nfs/dbraw/zinc/48/12/30/515481230.db2.gz YMPWEQWAMFSYPK-NEPJUHHUSA-N 1 0 355.385 2.747 20 5 FFBDRO CC[C@H](C)[NH2+][C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccco1 ZINC000510363013 515517072 /nfs/dbraw/zinc/51/70/72/515517072.db2.gz JWPZDOOHQRRIEJ-WDEREUQCSA-N 1 0 373.456 2.657 20 5 FFBDRO CC[C@H](C)[NH2+][C@@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000510385646 515523881 /nfs/dbraw/zinc/52/38/81/515523881.db2.gz BKTRHIXFTKSOKA-WFASDCNBSA-N 1 0 367.427 2.596 20 5 FFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H](c1ccco1)N(C)C ZINC000499973421 515542141 /nfs/dbraw/zinc/54/21/41/515542141.db2.gz BZSXMPHKRGDWNA-XJKSGUPXSA-N 1 0 360.414 2.797 20 5 FFBDRO COc1cccc(CCC[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)c1 ZINC000459509501 515605494 /nfs/dbraw/zinc/60/54/94/515605494.db2.gz MQEAYGHFLMAKQP-UHFFFAOYSA-N 1 0 356.426 2.753 20 5 FFBDRO C[C@H]([NH2+][C@H]1CCC[C@]1(C)CO)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000493526137 515637845 /nfs/dbraw/zinc/63/78/45/515637845.db2.gz MTLGHWFUDHJMBA-JMPLFQLZSA-N 1 0 355.822 2.716 20 5 FFBDRO C[N@@H+]1CCCC[C@@H]1CN1CCN(c2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000473514414 515641235 /nfs/dbraw/zinc/64/12/35/515641235.db2.gz RPYYADMZQOYIHP-QGZVFWFLSA-N 1 0 369.469 2.749 20 5 FFBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000454677843 515659288 /nfs/dbraw/zinc/65/92/88/515659288.db2.gz GSYVBMYKEZTMAD-OGWOLHLISA-N 1 0 372.469 2.967 20 5 FFBDRO C[C@H]1[C@@H](NC(=O)COc2cccc([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000494045868 515717779 /nfs/dbraw/zinc/71/77/79/515717779.db2.gz CNRPIDYKQMBXLO-KXBFYZLASA-N 1 0 369.421 2.753 20 5 FFBDRO C[C@@H]1CN(c2ccc3ncccc3c2[N+](=O)[O-])CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000487092475 515756399 /nfs/dbraw/zinc/75/63/99/515756399.db2.gz JJMOSGMDFPFHSB-QAPCUYQASA-N 1 0 369.469 2.605 20 5 FFBDRO CN1C(=O)C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000482727101 515785810 /nfs/dbraw/zinc/78/58/10/515785810.db2.gz VUEVXGOWPWXCEE-SJLPKXTDSA-N 1 0 361.348 2.935 20 5 FFBDRO CCN(CCC[NH+](CC)CC)S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000473952631 515818327 /nfs/dbraw/zinc/81/83/27/515818327.db2.gz QQFDAMPVNXRTBH-UHFFFAOYSA-N 1 0 371.503 2.954 20 5 FFBDRO CC[C@@H]([NH2+]C1CCN(CCC(=O)N(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000482874599 515832450 /nfs/dbraw/zinc/83/24/50/515832450.db2.gz ORSFXRXNEOEISX-GOSISDBHSA-N 1 0 362.474 2.578 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000457385249 515842300 /nfs/dbraw/zinc/84/23/00/515842300.db2.gz SBPZMMSIFRLHFJ-WBVHZDCISA-N 1 0 373.384 2.700 20 5 FFBDRO C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000478533688 515860907 /nfs/dbraw/zinc/86/09/07/515860907.db2.gz GKIMNYZCISDFSD-FUHWJXTLSA-N 1 0 368.437 2.611 20 5 FFBDRO Cn1cc(C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000487464075 515869367 /nfs/dbraw/zinc/86/93/67/515869367.db2.gz OEXCRXKCXOABFI-ZBFHGGJFSA-N 1 0 371.441 2.598 20 5 FFBDRO CC(C)C[C@H](CNC(=O)c1cc([N+](=O)[O-])nn1C)[NH2+][C@@H](C)c1ccccc1 ZINC000483043486 515899886 /nfs/dbraw/zinc/89/98/86/515899886.db2.gz AQEAJTHZKGYHJQ-GOEBONIOSA-N 1 0 373.457 2.824 20 5 FFBDRO Cc1cccc2nc(CNC(=O)NCc3cccc([N+](=O)[O-])c3C)cn21 ZINC000478648958 515907332 /nfs/dbraw/zinc/90/73/32/515907332.db2.gz CBOCACCUIIBOTM-UHFFFAOYSA-N 1 0 353.382 2.859 20 5 FFBDRO COc1cc(C[NH2+]C[C@](C)(O)C(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000494667018 515915719 /nfs/dbraw/zinc/91/57/19/515915719.db2.gz RRZFVHMDRAICEI-INIZCTEOSA-N 1 0 362.373 2.744 20 5 FFBDRO C[C@@H](CNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](C)C1 ZINC000511471400 515917670 /nfs/dbraw/zinc/91/76/70/515917670.db2.gz AORYDJHUBHUQQH-HOTGVXAUSA-N 1 0 362.474 2.899 20 5 FFBDRO Cc1cccc(CN(CC[NH+](C)C)C(=O)CNc2ccccc2[N+](=O)[O-])c1 ZINC000487650780 515933890 /nfs/dbraw/zinc/93/38/90/515933890.db2.gz XGBKCNFHYWRVKL-UHFFFAOYSA-N 1 0 370.453 2.906 20 5 FFBDRO CC[N@@H+]1CCN(Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000511607985 515960730 /nfs/dbraw/zinc/96/07/30/515960730.db2.gz ANQUJOVMEALUHR-NSHDSACASA-N 1 0 359.373 2.731 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000474423750 516039489 /nfs/dbraw/zinc/03/94/89/516039489.db2.gz AAYGHGSGNPQDOL-HNNXBMFYSA-N 1 0 370.409 2.999 20 5 FFBDRO CCCN(CCN1CC[NH+](CC)CC1)c1c2ccccc2ncc1[N+](=O)[O-] ZINC000487999592 516072280 /nfs/dbraw/zinc/07/22/80/516072280.db2.gz MZHKRMKSLYOVCS-UHFFFAOYSA-N 1 0 371.485 2.997 20 5 FFBDRO C[N@@H+]1CCCC[C@@H]1CN1CCN(c2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000488082128 516108546 /nfs/dbraw/zinc/10/85/46/516108546.db2.gz CTOYTRGXCKCBCN-MRXNPFEDSA-N 1 0 369.469 2.749 20 5 FFBDRO CCC1CCC([N@H+](CCO)C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000488160833 516139502 /nfs/dbraw/zinc/13/95/02/516139502.db2.gz UDICUQOYULUFRT-OFLPRAFFSA-N 1 0 366.458 2.598 20 5 FFBDRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000507277838 516151481 /nfs/dbraw/zinc/15/14/81/516151481.db2.gz JGGWYGGGFTXTCZ-KBPBESRZSA-N 1 0 369.487 2.630 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)C[C@H]1C ZINC000483701148 516178816 /nfs/dbraw/zinc/17/88/16/516178816.db2.gz LVYKUQAMVXBMSM-HIFRSBDPSA-N 1 0 364.446 2.618 20 5 FFBDRO COc1ccc(CNC(=O)NC[C@H](C)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000517516197 516348378 /nfs/dbraw/zinc/34/83/78/516348378.db2.gz VWFBEJYDNKMWGI-AWEZNQCLSA-N 1 0 364.446 2.525 20 5 FFBDRO COc1ccc(-c2ccc(C[NH2+][C@H](C)Cn3cncn3)o2)c([N+](=O)[O-])c1 ZINC000517550048 516360074 /nfs/dbraw/zinc/36/00/74/516360074.db2.gz OXMATGORWBWMSO-GFCCVEGCSA-N 1 0 357.370 2.633 20 5 FFBDRO CC[C@@H]1CN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)C[C@H](C)S1(=O)=O ZINC000557751241 516420176 /nfs/dbraw/zinc/42/01/76/516420176.db2.gz QURJNVNDZGXWRU-GXTWGEPZSA-N 1 0 363.439 2.853 20 5 FFBDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000523280132 516421448 /nfs/dbraw/zinc/42/14/48/516421448.db2.gz HNEUSECOSRNRJT-INIZCTEOSA-N 1 0 365.478 2.569 20 5 FFBDRO CCc1nnc(NC(=O)[C@H](C)[C@@H](C)[NH2+]Cc2csc([N+](=O)[O-])c2)s1 ZINC000513068959 516461008 /nfs/dbraw/zinc/46/10/08/516461008.db2.gz LVOKVRQINKLPEJ-RKDXNWHRSA-N 1 0 369.472 2.823 20 5 FFBDRO NC(=O)c1cccc(NC[C@H]2CCC[N@@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000561232495 516467891 /nfs/dbraw/zinc/46/78/91/516467891.db2.gz VSWUYTFRGNFWMM-OAHLLOKOSA-N 1 0 354.410 2.770 20 5 FFBDRO COc1ccc(C2([NH2+]C[C@H](O)COc3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000540360077 516525562 /nfs/dbraw/zinc/52/55/62/516525562.db2.gz JJPKZBYLBRJFEB-INIZCTEOSA-N 1 0 358.394 2.622 20 5 FFBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C[C@@H](C)C1 ZINC000558027893 516558854 /nfs/dbraw/zinc/55/88/54/516558854.db2.gz XFFMFBWSWPJWAP-YZVOILCLSA-N 1 0 370.453 2.738 20 5 FFBDRO CN(CCC[N@H+](C)Cc1ccco1)c1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000561437800 516584600 /nfs/dbraw/zinc/58/46/00/516584600.db2.gz ZNSRDCVEAXJZSB-UHFFFAOYSA-N 1 0 371.397 2.795 20 5 FFBDRO O=[N+]([O-])c1ccc2c(ccnc2N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)c1 ZINC000518310329 516607768 /nfs/dbraw/zinc/60/77/68/516607768.db2.gz GFLONWNHGDUULN-ROUUACIJSA-N 1 0 356.426 2.620 20 5 FFBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CC[NH+](CC2CC2)CC1 ZINC000523977823 516621478 /nfs/dbraw/zinc/62/14/78/516621478.db2.gz NJSVUIGAGKBNML-UHFFFAOYSA-N 1 0 367.833 2.571 20 5 FFBDRO COC(=O)[C@@H]1CCCC[C@]1(C)[NH2+]CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000540574896 516625383 /nfs/dbraw/zinc/62/53/83/516625383.db2.gz LIPMJYHHWLRJOF-KSSFIOAISA-N 1 0 366.414 2.694 20 5 FFBDRO C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000540625406 516644498 /nfs/dbraw/zinc/64/44/98/516644498.db2.gz FDZXUHYMWHJCHS-FZKQIMNGSA-N 1 0 355.442 2.568 20 5 FFBDRO CC[NH+](CC)CC1CCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000518417334 516651585 /nfs/dbraw/zinc/65/15/85/516651585.db2.gz AYATVARDDWZRQV-UHFFFAOYSA-N 1 0 362.474 2.901 20 5 FFBDRO COc1ccccc1CNC(=O)[C@@H](C)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000554846440 516663362 /nfs/dbraw/zinc/66/33/62/516663362.db2.gz WTNCTJGRCWNUJQ-OAHLLOKOSA-N 1 0 371.437 2.783 20 5 FFBDRO COc1cc(CN2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000551402166 516693817 /nfs/dbraw/zinc/69/38/17/516693817.db2.gz VUIYWHUSHHPSBC-SFHVURJKSA-N 1 0 355.438 2.962 20 5 FFBDRO CCC[NH+](CCC)CCCNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000524410270 516713212 /nfs/dbraw/zinc/71/32/12/516713212.db2.gz YVFVLAULCVGUBC-UHFFFAOYSA-N 1 0 357.476 2.694 20 5 FFBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000561710880 516727505 /nfs/dbraw/zinc/72/75/05/516727505.db2.gz RZWCKIIVKYDYRY-CQSZACIVSA-N 1 0 373.457 2.792 20 5 FFBDRO CC[C@@H]([NH2+]C[C@H](O)COc1ccc2c(c1)OCO2)c1cccc([N+](=O)[O-])c1 ZINC000531951604 516728565 /nfs/dbraw/zinc/72/85/65/516728565.db2.gz YMXQWHJLVSETPT-DOTOQJQBSA-N 1 0 374.393 2.804 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CCN3CCCc4ccccc43)CC2)cn1 ZINC000536378980 516744678 /nfs/dbraw/zinc/74/46/78/516744678.db2.gz SKWOTGLBROPVOA-UHFFFAOYSA-N 1 0 367.453 2.565 20 5 FFBDRO CCOc1ccc(C(=O)N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000561746952 516744878 /nfs/dbraw/zinc/74/48/78/516744878.db2.gz PKYREHZJSOSVTR-IJEWVQPXSA-N 1 0 361.442 2.796 20 5 FFBDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)c3c[nH]nc3[N+](=O)[O-])cc2)C1 ZINC000548082297 516751296 /nfs/dbraw/zinc/75/12/96/516751296.db2.gz LUKNROKBVAFCOK-OKILXGFUSA-N 1 0 371.441 2.726 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)c1 ZINC000555044190 516755471 /nfs/dbraw/zinc/75/54/71/516755471.db2.gz IMXFZCNJGUQRLF-HNNXBMFYSA-N 1 0 361.442 2.797 20 5 FFBDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1 ZINC000561762605 516756042 /nfs/dbraw/zinc/75/60/42/516756042.db2.gz PBHBWZFGSKDJHQ-ZQIUZPCESA-N 1 0 363.483 2.876 20 5 FFBDRO COc1ccc(C[NH+](C)C)cc1NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000540906858 516765897 /nfs/dbraw/zinc/76/58/97/516765897.db2.gz QGGZLJWAWLGFNX-UHFFFAOYSA-N 1 0 373.365 2.646 20 5 FFBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000561823226 516787346 /nfs/dbraw/zinc/78/73/46/516787346.db2.gz QNABLCJCKLFNGC-WCQYABFASA-N 1 0 353.369 2.501 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCNc1ccc(-c2ccccc2)nn1 ZINC000544612849 516835961 /nfs/dbraw/zinc/83/59/61/516835961.db2.gz XWDYPIIFEPZNFB-UHFFFAOYSA-N 1 0 363.421 2.984 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000541035870 516839978 /nfs/dbraw/zinc/83/99/78/516839978.db2.gz GOKPNXKBKJJDBF-WCQYABFASA-N 1 0 371.384 2.999 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NCCC[NH+]2CCC(C)CC2)c1 ZINC000544659791 516860635 /nfs/dbraw/zinc/86/06/35/516860635.db2.gz GNHQUMQMZDZMMA-UHFFFAOYSA-N 1 0 369.487 2.612 20 5 FFBDRO Cc1cc(NC2CCN(C(=O)C3CC3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000541174173 516912535 /nfs/dbraw/zinc/91/25/35/516912535.db2.gz UWXDRUWPEAXOGY-UHFFFAOYSA-N 1 0 354.410 2.686 20 5 FFBDRO CC[NH+](CC)CC1CCN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC1 ZINC000525192959 516954965 /nfs/dbraw/zinc/95/49/65/516954965.db2.gz JUQUXFGTEYASJV-UHFFFAOYSA-N 1 0 359.430 2.802 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C[C@@H]1C ZINC000525397447 517029155 /nfs/dbraw/zinc/02/91/55/517029155.db2.gz PFNBQKNMEGYWTK-QWHCGFSZSA-N 1 0 372.425 2.793 20 5 FFBDRO CC(C)c1nc(CC[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])cs1 ZINC000514788340 517056636 /nfs/dbraw/zinc/05/66/36/517056636.db2.gz IRPMABWEWQBMJS-CQSZACIVSA-N 1 0 365.455 2.747 20 5 FFBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC000555684932 517064190 /nfs/dbraw/zinc/06/41/90/517064190.db2.gz SRLRTDBLKLQURZ-INIZCTEOSA-N 1 0 363.801 2.563 20 5 FFBDRO Cc1ccc(NC(=O)c2ccc(N3CC([NH+](C)C)C3)c([N+](=O)[O-])c2)cc1 ZINC000537190571 517078625 /nfs/dbraw/zinc/07/86/25/517078625.db2.gz NRVTUQUHHLPZET-UHFFFAOYSA-N 1 0 354.410 2.906 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2cc([N+](=O)[O-])ccc2OC)C[C@H]1C ZINC000541525055 517094727 /nfs/dbraw/zinc/09/47/27/517094727.db2.gz WEWAJIPSKXKSAW-UKRRQHHQSA-N 1 0 364.446 2.618 20 5 FFBDRO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000555808198 517135055 /nfs/dbraw/zinc/13/50/55/517135055.db2.gz FFZYLVNDIFMHGK-INIZCTEOSA-N 1 0 358.442 2.679 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H](O)[C@H]3CCOC3)o2)c(Cl)c1 ZINC000537315448 517140384 /nfs/dbraw/zinc/14/03/84/517140384.db2.gz SCWNWGQHRABOPJ-ZBEGNZNMSA-N 1 0 366.801 2.995 20 5 FFBDRO COc1ccc(C[NH+](C)C)cc1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000515030453 517176701 /nfs/dbraw/zinc/17/67/01/517176701.db2.gz IFVNLALVVQHRAS-UHFFFAOYSA-N 1 0 359.382 2.683 20 5 FFBDRO CCC[NH+]1CCC(N(C)S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)CC1 ZINC000541825262 517234621 /nfs/dbraw/zinc/23/46/21/517234621.db2.gz YUPZQTUENXOEFY-UHFFFAOYSA-N 1 0 369.487 2.707 20 5 FFBDRO CC1(C)C[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]2CCC[C@@H]21 ZINC000559424969 517248592 /nfs/dbraw/zinc/24/85/92/517248592.db2.gz FTPIHDLQBCLCLL-AAEUAGOBSA-N 1 0 361.398 2.773 20 5 FFBDRO CCOc1cc(NCCC[NH+]2CCC(C(=O)OC)CC2)ccc1[N+](=O)[O-] ZINC000545474202 517256155 /nfs/dbraw/zinc/25/61/55/517256155.db2.gz GNMOJAKMYXNZAG-UHFFFAOYSA-N 1 0 365.430 2.681 20 5 FFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C1CC1)[C@@]1(CO)CCCO1 ZINC000559467634 517271130 /nfs/dbraw/zinc/27/11/30/517271130.db2.gz SGJRPMLTJQVSGL-OALUTQOASA-N 1 0 364.442 2.792 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])c(NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)n1 ZINC000541935056 517299637 /nfs/dbraw/zinc/29/96/37/517299637.db2.gz BPAXRBXKUCJQLU-DLBZAZTESA-N 1 0 356.426 2.654 20 5 FFBDRO O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000541943096 517302898 /nfs/dbraw/zinc/30/28/98/517302898.db2.gz OWNJVNHWWSGTPM-ZDUSSCGKSA-N 1 0 369.368 2.897 20 5 FFBDRO COc1ccccc1[C@@H](CO)[NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000541981006 517319520 /nfs/dbraw/zinc/31/95/20/517319520.db2.gz JWGBIVSGNDFZGI-MRXNPFEDSA-N 1 0 373.409 2.564 20 5 FFBDRO COc1ccc2c(c1)C[C@H](C)[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@H]2C ZINC000541988920 517326541 /nfs/dbraw/zinc/32/65/41/517326541.db2.gz CSZAUZCPFQDNST-KBPBESRZSA-N 1 0 357.410 2.773 20 5 FFBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H](S(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000537984515 517425521 /nfs/dbraw/zinc/42/55/21/517425521.db2.gz XRQAKEZRYUZVEX-NWANDNLSSA-N 1 0 370.471 3.000 20 5 FFBDRO C[C@H]1C[NH+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C[C@H](C)S1 ZINC000533428222 517458403 /nfs/dbraw/zinc/45/84/03/517458403.db2.gz HORTZZVBUADNPY-RYUDHWBXSA-N 1 0 351.428 2.719 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000562975200 517547764 /nfs/dbraw/zinc/54/77/64/517547764.db2.gz HUEGDCLISSETJE-ZBEGNZNMSA-N 1 0 355.822 2.521 20 5 FFBDRO CC(C)C[C@@H]1C[C@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000563013505 517583128 /nfs/dbraw/zinc/58/31/28/517583128.db2.gz JKJWOEGHBUASDT-BZUAXINKSA-N 1 0 352.431 2.518 20 5 FFBDRO Cc1c(Br)c(NC[C@H]2CC[N@@H+](CC(C)C)C2)ncc1[N+](=O)[O-] ZINC000542505577 517598379 /nfs/dbraw/zinc/59/83/79/517598379.db2.gz ILPVLQZCHDTMRB-GFCCVEGCSA-N 1 0 371.279 2.872 20 5 FFBDRO CN(C)c1nccc(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])n1 ZINC000538409842 517608867 /nfs/dbraw/zinc/60/88/67/517608867.db2.gz YWTVFSXTNICNCT-WMLDXEAASA-N 1 0 355.442 2.952 20 5 FFBDRO O=C1[C@H]([NH+]2CCc3ccccc3CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000516208444 517618446 /nfs/dbraw/zinc/61/84/46/517618446.db2.gz AHUVIPZJFMSEKX-LJQANCHMSA-N 1 0 351.406 2.801 20 5 FFBDRO C[C@@]1(Cc2cccc(F)c2)CCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000563069199 517632095 /nfs/dbraw/zinc/63/20/95/517632095.db2.gz SDAMWJBTHGWBAT-IBGZPJMESA-N 1 0 359.401 2.993 20 5 FFBDRO COCC[NH+](CCOC)C1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000553304829 517634782 /nfs/dbraw/zinc/63/47/82/517634782.db2.gz SGOOMTQMAVYFGU-UHFFFAOYSA-N 1 0 371.865 2.812 20 5 FFBDRO CC(C)(C)[N@@H+]1CCCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000533905643 517663228 /nfs/dbraw/zinc/66/32/28/517663228.db2.gz YUKWGQJHQXWEMS-UHFFFAOYSA-N 1 0 358.442 2.951 20 5 FFBDRO C[C@@H]1CCC[C@@](CNC(=O)NCCc2cccc([N+](=O)[O-])c2)([NH+](C)C)C1 ZINC000533914613 517665993 /nfs/dbraw/zinc/66/59/93/517665993.db2.gz AKSJJWCUDNOUGG-DNVCBOLYSA-N 1 0 362.474 2.947 20 5 FFBDRO [NH3+]Cc1ccc(CNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000516469948 517701183 /nfs/dbraw/zinc/70/11/83/517701183.db2.gz BEXRUUCHHAPNBC-UHFFFAOYSA-N 1 0 368.437 2.586 20 5 FFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000563169276 517707981 /nfs/dbraw/zinc/70/79/81/517707981.db2.gz GMTAQKSXYXXVJP-UHFFFAOYSA-N 1 0 373.453 2.877 20 5 FFBDRO CNC(=O)COc1cccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000556898455 517735249 /nfs/dbraw/zinc/73/52/49/517735249.db2.gz KXFOSOVWFDOMRP-AWEZNQCLSA-N 1 0 357.410 2.879 20 5 FFBDRO Cc1cccc(OC[C@@H](C)[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000516562954 517744522 /nfs/dbraw/zinc/74/45/22/517744522.db2.gz KJGIAQZLALVFEY-NVXWUHKLSA-N 1 0 360.410 2.700 20 5 FFBDRO CC[NH+](CC)CCOC1CCN(c2nc(C)cc(C)c2[N+](=O)[O-])CC1 ZINC000542865099 517789284 /nfs/dbraw/zinc/78/92/84/517789284.db2.gz RSTVGPCZJMMUMO-UHFFFAOYSA-N 1 0 350.463 2.934 20 5 FFBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000542891368 517800205 /nfs/dbraw/zinc/80/02/05/517800205.db2.gz BOCQGOXFQMIGIA-GFCCVEGCSA-N 1 0 357.357 2.753 20 5 FFBDRO CS(=O)(=O)Cc1ccc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000521643777 517809809 /nfs/dbraw/zinc/80/98/09/517809809.db2.gz OLLKYMZCBCIISA-KRWDZBQOSA-N 1 0 360.435 2.917 20 5 FFBDRO COc1ccc(NC(=O)NC[C@H](C)[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000542959611 517838625 /nfs/dbraw/zinc/83/86/25/517838625.db2.gz VIOMGELOSSVDPG-ZDUSSCGKSA-N 1 0 350.419 2.845 20 5 FFBDRO COc1ccc(CC(=O)N2CCC(CCC[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000534306854 517841920 /nfs/dbraw/zinc/84/19/20/517841920.db2.gz ONCMFQIWVNTCSP-UHFFFAOYSA-N 1 0 363.458 2.726 20 5 FFBDRO C[C@@H]1C[C@@H](N[C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC000560524575 517872371 /nfs/dbraw/zinc/87/23/71/517872371.db2.gz GWANERQKUTYDLY-DDUZABMNSA-N 1 0 355.442 2.633 20 5 FFBDRO CC[N@@H+]1CCC[C@H](CNc2ncc([N+](=O)[O-])c(C)c2Br)C1 ZINC000543031784 517874477 /nfs/dbraw/zinc/87/44/77/517874477.db2.gz CJPSCYYTJOKVFQ-LLVKDONJSA-N 1 0 357.252 2.626 20 5 FFBDRO C[C@H](Nc1ccc([N+](=O)[O-])c(N2CCOCC2)c1F)C(C)(C)C[NH+](C)C ZINC000563420799 517894612 /nfs/dbraw/zinc/89/46/12/517894612.db2.gz ZEQOTKYYFKODAI-ZDUSSCGKSA-N 1 0 368.453 2.959 20 5 FFBDRO CC(C)CCC[C@@H](C)[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000539043666 517895619 /nfs/dbraw/zinc/89/56/19/517895619.db2.gz DDSMXYWHJVUOQM-CQSZACIVSA-N 1 0 357.476 2.678 20 5 FFBDRO CNC(=O)COc1cccc(C[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000560558946 517895711 /nfs/dbraw/zinc/89/57/11/517895711.db2.gz UKTONIHVWMSHPQ-HNNXBMFYSA-N 1 0 371.437 2.831 20 5 FFBDRO C[C@@H]1CC(C)(C)C[C@@](CO)([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000543139647 517929259 /nfs/dbraw/zinc/92/92/59/517929259.db2.gz VMKNYTHPUAKHQF-CLCXKQKWSA-N 1 0 366.458 2.501 20 5 FFBDRO CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC000560744587 517999464 /nfs/dbraw/zinc/99/94/64/517999464.db2.gz PBHOZWWDXVQOGI-CYBMUJFWSA-N 1 0 367.421 2.618 20 5 FFBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000534768878 518028191 /nfs/dbraw/zinc/02/81/91/518028191.db2.gz LUYJYNDOGYSKRB-GOSISDBHSA-N 1 0 368.437 2.561 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CCOc1ccc(Cl)cc1 ZINC000563649213 518045880 /nfs/dbraw/zinc/04/58/80/518045880.db2.gz HBFDGLDHTVPZQN-AWEZNQCLSA-N 1 0 366.801 2.657 20 5 FFBDRO CC(C)Cc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])nn2C)[NH+](C)C)cc1 ZINC000554084089 518054097 /nfs/dbraw/zinc/05/40/97/518054097.db2.gz NDIYBVHQTPVFTA-QGZVFWFLSA-N 1 0 373.457 2.560 20 5 FFBDRO CCN(CC)C(=O)CCC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000563679634 518062732 /nfs/dbraw/zinc/06/27/32/518062732.db2.gz QELLIDLRPADICT-CABCVRRESA-N 1 0 351.451 2.513 20 5 FFBDRO C[NH+](C)CCOc1ccc(CNc2ncnc3cccc([N+](=O)[O-])c32)cc1 ZINC000543451010 518099322 /nfs/dbraw/zinc/09/93/22/518099322.db2.gz NDCKUNMOBRVLFT-UHFFFAOYSA-N 1 0 367.409 2.512 20 5 FFBDRO CC(C)(C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000575743753 518260820 /nfs/dbraw/zinc/26/08/20/518260820.db2.gz ZSTDBCYQVIOIIE-CQSZACIVSA-N 1 0 350.440 2.963 20 5 FFBDRO O=C(N[C@@H](CO)C[NH+]1CCCCC1)c1cc2ccccc2c2cccnc12 ZINC000572636445 518289158 /nfs/dbraw/zinc/28/91/58/518289158.db2.gz LHJJLOCMWHCAMR-QGZVFWFLSA-N 1 0 363.461 2.965 20 5 FFBDRO CN1CCO[C@H]2CC[N@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)C[C@@H]21 ZINC000581479435 518306264 /nfs/dbraw/zinc/30/62/64/518306264.db2.gz ADLHUQMYTHZCRW-HKUYNNGSSA-N 1 0 357.410 2.760 20 5 FFBDRO COc1ccc(OCC[N@@H+]2CCC[C@@H]2[C@@H]2CCCOC2)c([N+](=O)[O-])c1 ZINC000584409114 518327669 /nfs/dbraw/zinc/32/76/69/518327669.db2.gz LYJSKNOPMKYMCL-GDBMZVCRSA-N 1 0 350.415 2.873 20 5 FFBDRO CN(C(=O)c1cccc2c(=O)c3ccccc3[nH]c12)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000581527848 518329505 /nfs/dbraw/zinc/32/95/05/518329505.db2.gz ONFGZPVDYGQBSK-OAHLLOKOSA-N 1 0 361.445 2.990 20 5 FFBDRO CC[NH+]1C[C@H](C)N(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000567142061 518372482 /nfs/dbraw/zinc/37/24/82/518372482.db2.gz CPOXZWZYNLAHPE-QWRGUYRKSA-N 1 0 357.357 2.751 20 5 FFBDRO CC[NH+]1C[C@@H](C)N(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000567142059 518373331 /nfs/dbraw/zinc/37/33/31/518373331.db2.gz CPOXZWZYNLAHPE-GHMZBOCLSA-N 1 0 357.357 2.751 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000564458938 518460212 /nfs/dbraw/zinc/46/02/12/518460212.db2.gz XJJPZEIOFCQMSR-UHFFFAOYSA-N 1 0 353.850 2.575 20 5 FFBDRO Cc1ccc(C[C@H](C)[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])s1 ZINC000584775329 518471734 /nfs/dbraw/zinc/47/17/34/518471734.db2.gz HTTMHUDZFBSRTM-GXTWGEPZSA-N 1 0 350.440 2.925 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CC2CCC(c3ccccc3)CC2)c1 ZINC000567345967 518477074 /nfs/dbraw/zinc/47/70/74/518477074.db2.gz ZRYZZJFCOQYXDB-GXOAENINSA-N 1 0 358.442 2.716 20 5 FFBDRO C[C@H](C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])Cc1cccs1 ZINC000570201715 518493580 /nfs/dbraw/zinc/49/35/80/518493580.db2.gz DKGXGGFMQMLRGS-UONOGXRCSA-N 1 0 350.440 2.864 20 5 FFBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]C[C@@H](O)COc3ccccc3)c2c1 ZINC000584835257 518500362 /nfs/dbraw/zinc/50/03/62/518500362.db2.gz RQRZSQDIWVRTIM-MRXNPFEDSA-N 1 0 355.394 2.648 20 5 FFBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000564601401 518521047 /nfs/dbraw/zinc/52/10/47/518521047.db2.gz KZBXUBQZJHRZOA-AWEZNQCLSA-N 1 0 364.446 2.619 20 5 FFBDRO Cc1c(Br)c(=O)n(CC[C@H]2CCCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000576332363 518540495 /nfs/dbraw/zinc/54/04/95/518540495.db2.gz LBWJNCZXRXCHGB-LLVKDONJSA-N 1 0 358.236 2.702 20 5 FFBDRO CC(=O)c1ccc(NCc2ccncc2OCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000570309080 518545213 /nfs/dbraw/zinc/54/52/13/518545213.db2.gz FKUKZVWCMZENPU-UHFFFAOYSA-N 1 0 358.398 2.745 20 5 FFBDRO COc1cc(C[NH2+]CCc2ccc3c[nH]nc3c2)c([N+](=O)[O-])cc1OC ZINC000585743431 518582515 /nfs/dbraw/zinc/58/25/15/518582515.db2.gz MVYRMXCMFCFUSK-UHFFFAOYSA-N 1 0 356.382 2.821 20 5 FFBDRO O=C(NC[C@H]1CCC[NH2+]C1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000582121161 518598376 /nfs/dbraw/zinc/59/83/76/518598376.db2.gz UGOWLRNCRFJDAY-NSHDSACASA-N 1 0 371.387 2.689 20 5 FFBDRO COc1cccc(N2C[C@H]([NH2+][C@H]3CCc4c3cccc4[N+](=O)[O-])CC2=O)c1 ZINC000576480644 518614221 /nfs/dbraw/zinc/61/42/21/518614221.db2.gz ZIIILYSTCKNVTD-ACJLOTCBSA-N 1 0 367.405 2.986 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H]2CCO[C@H](c3ccccc3)C2)c1 ZINC000579345497 518637357 /nfs/dbraw/zinc/63/73/57/518637357.db2.gz GEYADGCCWZUYHB-HQRMLTQVSA-N 1 0 372.421 2.844 20 5 FFBDRO CC(C)[C@@H]1CN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C2CC2)CC[N@@H+]1C ZINC000576591283 518667568 /nfs/dbraw/zinc/66/75/68/518667568.db2.gz IIEPIGDCJODLFH-KRWDZBQOSA-N 1 0 370.457 2.965 20 5 FFBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]C[C@H](O)COc3ccc(F)cc3)c2c1 ZINC000570627047 518700271 /nfs/dbraw/zinc/70/02/71/518700271.db2.gz YIGSNRMCWSGTAS-INIZCTEOSA-N 1 0 373.384 2.787 20 5 FFBDRO [NH3+]CCC[C@H](NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)c1ccccc1 ZINC000582354984 518713479 /nfs/dbraw/zinc/71/34/79/518713479.db2.gz JHAZHQLAJIHRNE-INIZCTEOSA-N 1 0 371.393 2.576 20 5 FFBDRO COc1cc(CC[NH2+]C[C@@H](O)[C@H](C)c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000576704185 518723921 /nfs/dbraw/zinc/72/39/21/518723921.db2.gz RSRWTOMLFOHHLB-RDTXWAMCSA-N 1 0 374.437 2.909 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]Cc2cc3ccccc3[nH]2)cc1 ZINC000567829027 518734429 /nfs/dbraw/zinc/73/44/29/518734429.db2.gz SCFSTSQCKWMXAM-UHFFFAOYSA-N 1 0 359.407 2.640 20 5 FFBDRO O=[N+]([O-])c1cccc(CC[NH2+]C[C@@H](O)COc2cccc3[nH]ccc32)c1 ZINC000582481872 518774419 /nfs/dbraw/zinc/77/44/19/518774419.db2.gz KHDJGBXPMVFYBH-MRXNPFEDSA-N 1 0 355.394 2.648 20 5 FFBDRO Cc1c(NC(=O)CCN2CCCC[C@H]2[C@H]2CCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000573670264 518777966 /nfs/dbraw/zinc/77/79/66/518777966.db2.gz PFBSNDUGAYMIPI-AEFFLSMTSA-N 1 0 360.458 2.838 20 5 FFBDRO CCCc1n[nH]c(C(=O)NC[C@H]([NH2+][C@H](C)CC)c2ccco2)c1[N+](=O)[O-] ZINC000588766973 518825168 /nfs/dbraw/zinc/82/51/68/518825168.db2.gz RFPAZYPMKWCXKR-YPMHNXCESA-N 1 0 363.418 2.723 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@H]2CCN(CC(F)(F)F)C2)n1 ZINC000570896196 518829304 /nfs/dbraw/zinc/82/93/04/518829304.db2.gz AEPZYJLAXHLNGW-YNEHKIRRSA-N 1 0 361.368 2.501 20 5 FFBDRO COC(=O)c1cc([C@H](C)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)oc1C ZINC000577044366 518889177 /nfs/dbraw/zinc/88/91/77/518889177.db2.gz FUUBWJJHCMBBDB-LBPRGKRZSA-N 1 0 374.397 2.561 20 5 FFBDRO C[C@@H]1Oc2cc(F)ccc2[C@H]1[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000577099460 518914447 /nfs/dbraw/zinc/91/44/47/518914447.db2.gz AFDRWEHWZNQOJR-FVMIAERFSA-N 1 0 362.357 2.585 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])cc1SC ZINC000565357878 518916118 /nfs/dbraw/zinc/91/61/18/518916118.db2.gz GWXZUFJKSKVGHF-PWSUYJOCSA-N 1 0 353.444 2.573 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H]1CCCN(c2ccccc2)C1 ZINC000579943802 518931253 /nfs/dbraw/zinc/93/12/53/518931253.db2.gz SUYOSBFYTBUKGZ-FUHWJXTLSA-N 1 0 371.437 2.593 20 5 FFBDRO Cn1cc([N+](=O)[O-])cc1C(=O)Nc1nc2c(s1)C[N@@H+](C(C)(C)C)CC2 ZINC000574033449 518955953 /nfs/dbraw/zinc/95/59/53/518955953.db2.gz DPDRHAHWOPSRCB-UHFFFAOYSA-N 1 0 363.443 2.799 20 5 FFBDRO Cc1cccc(C2(C[NH2+]C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CCCCC2)c1 ZINC000568350338 518992729 /nfs/dbraw/zinc/99/27/29/518992729.db2.gz BBDWKBVYPCVGIQ-LJQANCHMSA-N 1 0 372.469 2.952 20 5 FFBDRO [NH3+]CCN(Cc1nccn1Cc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000582931657 518992649 /nfs/dbraw/zinc/99/26/49/518992649.db2.gz AIKIRVCKJAOSRH-UHFFFAOYSA-N 1 0 351.410 2.805 20 5 FFBDRO O=[N+]([O-])c1ccc(NCC[NH+]2CCCCCC2)c(F)c1N1CCOCC1 ZINC000565581063 519027696 /nfs/dbraw/zinc/02/76/96/519027696.db2.gz NPLZTMOKUIIMQL-UHFFFAOYSA-N 1 0 366.437 2.858 20 5 FFBDRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)c1cc2ccccc2c2cccnc12 ZINC000583066162 519059465 /nfs/dbraw/zinc/05/94/65/519059465.db2.gz QJIPMBOYDOYRFK-KRWDZBQOSA-N 1 0 363.461 2.965 20 5 FFBDRO Cc1cc(N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000590134934 519158351 /nfs/dbraw/zinc/15/83/51/519158351.db2.gz HLLVBLUIRYRNTL-BBRMVZONSA-N 1 0 373.375 2.957 20 5 FFBDRO Cc1cc(OCC(=O)N2CCC[N@H+](CC3CCC3)CC2)ccc1[N+](=O)[O-] ZINC000580414273 519164826 /nfs/dbraw/zinc/16/48/26/519164826.db2.gz ZNKUUQXCBRLQCG-UHFFFAOYSA-N 1 0 361.442 2.616 20 5 FFBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000590404364 519218293 /nfs/dbraw/zinc/21/82/93/519218293.db2.gz ZUOWZRRCVCXDML-IAQYHMDHSA-N 1 0 360.439 2.883 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@@H]2CCC3(CCCCC3)O2)c1 ZINC000577742141 519233157 /nfs/dbraw/zinc/23/31/57/519233157.db2.gz ABYMYMZOOHNJQL-WMZOPIPTSA-N 1 0 364.442 2.806 20 5 FFBDRO COc1cc(C[NH2+]Cc2ccc3cnn(C)c3c2)c([N+](=O)[O-])cc1OC ZINC000574616427 519243275 /nfs/dbraw/zinc/24/32/75/519243275.db2.gz NMYMWZIQGHFGQR-UHFFFAOYSA-N 1 0 356.382 2.789 20 5 FFBDRO COc1cncc(/C=C\CC[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000571758727 519261805 /nfs/dbraw/zinc/26/18/05/519261805.db2.gz UJHZLZVTXFAKMK-OUMXJLHTSA-N 1 0 369.425 2.983 20 5 FFBDRO COc1cncc(/C=C/CC[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000571758725 519261832 /nfs/dbraw/zinc/26/18/32/519261832.db2.gz UJHZLZVTXFAKMK-ICTCPBKTSA-N 1 0 369.425 2.983 20 5 FFBDRO Cc1cc(S(=O)(=O)N(C)CC[N@H+](C)C2CCCCC2)ccc1[N+](=O)[O-] ZINC000568905363 519276858 /nfs/dbraw/zinc/27/68/58/519276858.db2.gz DQAXLKFWTZOSEM-UHFFFAOYSA-N 1 0 369.487 2.788 20 5 FFBDRO Cc1cc(S(=O)(=O)N(C)C2CC[NH+](C(C)C)CC2)c(F)cc1[N+](=O)[O-] ZINC000590589189 519278302 /nfs/dbraw/zinc/27/83/02/519278302.db2.gz UIZLWTGPEYDZDX-UHFFFAOYSA-N 1 0 373.450 2.536 20 5 FFBDRO CCC[NH+]1CCC(N(C)S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)CC1 ZINC000590591953 519278412 /nfs/dbraw/zinc/27/84/12/519278412.db2.gz VXVHLIBZXNWCMI-UHFFFAOYSA-N 1 0 373.450 2.537 20 5 FFBDRO COc1cc(CN2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)c([N+](=O)[O-])cc1OC(F)F ZINC000590600465 519284242 /nfs/dbraw/zinc/28/42/42/519284242.db2.gz XUEDQUUQKGCTQL-QWHCGFSZSA-N 1 0 371.384 2.873 20 5 FFBDRO Cc1ccnc([C@H]2CC[N@H+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)C2)c1 ZINC000580656754 519288645 /nfs/dbraw/zinc/28/86/45/519288645.db2.gz FFVOGGAYXMPJKW-RDJZCZTQSA-N 1 0 357.410 2.527 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCCc3ccccc3C2)cc1 ZINC000590649682 519301975 /nfs/dbraw/zinc/30/19/75/519301975.db2.gz PPPOSXALYCAAGU-QGZVFWFLSA-N 1 0 374.462 2.906 20 5 FFBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+][C@H]1CCO[C@@H](c3ccncc3)C1)OCCO2 ZINC000590660229 519305191 /nfs/dbraw/zinc/30/51/91/519305191.db2.gz QYPYQVGHMLRLBG-DOTOQJQBSA-N 1 0 371.393 2.771 20 5 FFBDRO CC(C)[C@H](CO)[C@@H]([NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C(C)C ZINC000590659172 519305896 /nfs/dbraw/zinc/30/58/96/519305896.db2.gz IOHKOYMZFFILNA-KSSFIOAISA-N 1 0 352.431 2.745 20 5 FFBDRO CC(C)(CNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)C[NH+]1CCCC1 ZINC000571852580 519307760 /nfs/dbraw/zinc/30/77/60/519307760.db2.gz XLBMIUQESDFEDL-UHFFFAOYSA-N 1 0 360.458 2.785 20 5 FFBDRO C[C@H]1CSCC[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000571854742 519308955 /nfs/dbraw/zinc/30/89/55/519308955.db2.gz HPNMAMRKNWNPGF-GFCCVEGCSA-N 1 0 351.428 2.578 20 5 FFBDRO COC1CC[NH+](CCNc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CC1 ZINC000590692698 519320000 /nfs/dbraw/zinc/32/00/00/519320000.db2.gz IEAGMEUYCCQGGY-UHFFFAOYSA-N 1 0 362.455 2.663 20 5 FFBDRO O=C(CC[NH2+]Cc1ccnc(OC(F)F)c1)Nc1ccccc1[N+](=O)[O-] ZINC000566129652 519320720 /nfs/dbraw/zinc/32/07/20/519320720.db2.gz HBCUJVKFVVUUTP-UHFFFAOYSA-N 1 0 366.324 2.710 20 5 FFBDRO Cc1cccnc1C(C)(C)C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000568993585 519322865 /nfs/dbraw/zinc/32/28/65/519322865.db2.gz QMXYIMSBALDKPA-HNNXBMFYSA-N 1 0 359.426 2.605 20 5 FFBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@H]2CCC[C@H]2Oc2cc(F)cc(F)c2)n1 ZINC000577970082 519348864 /nfs/dbraw/zinc/34/88/64/519348864.db2.gz SJMZUCFPISVEHK-LSDHHAIUSA-N 1 0 352.341 2.659 20 5 FFBDRO COc1ccc(N2CC[NH+](CCCOc3ccc([N+](=O)[O-])cc3)CC2)nc1 ZINC000590765277 519357946 /nfs/dbraw/zinc/35/79/46/519357946.db2.gz JUVPGOINIZMOQY-UHFFFAOYSA-N 1 0 372.425 2.590 20 5 FFBDRO C[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H](O)Cc1ccccc1 ZINC000566233086 519384211 /nfs/dbraw/zinc/38/42/11/519384211.db2.gz XREHEMHTKLQQMS-KSSFIOAISA-N 1 0 357.410 2.505 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(N(C)CCC[N@H+](C)Cc2ccco2)c1 ZINC000572107514 519446847 /nfs/dbraw/zinc/44/68/47/519446847.db2.gz WWDGPGPPFDFWON-UHFFFAOYSA-N 1 0 361.398 2.933 20 5 FFBDRO CC[NH+]1C[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2Br)[C@H](C)C1 ZINC000569287118 519471083 /nfs/dbraw/zinc/47/10/83/519471083.db2.gz QFWDIYRGUUELCT-GHMZBOCLSA-N 1 0 370.247 2.912 20 5 FFBDRO Cc1cccc(C(=O)Nc2cccc(C[N@@H+]3CC[C@H](O)C3)c2)c1[N+](=O)[O-] ZINC000569392199 519526612 /nfs/dbraw/zinc/52/66/12/519526612.db2.gz YJKCKOAZQJSEFB-INIZCTEOSA-N 1 0 355.394 2.722 20 5 FFBDRO COc1cc(CN2CC[NH+]3CCC2CC3)c([N+](=O)[O-])cc1OCC(F)F ZINC000569392577 519527488 /nfs/dbraw/zinc/52/74/88/519527488.db2.gz QMLISXHVGUUKES-UHFFFAOYSA-N 1 0 371.384 2.527 20 5 FFBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccc(-n2cncn2)c(F)c1 ZINC000581159330 519549461 /nfs/dbraw/zinc/54/94/61/519549461.db2.gz XDDJNOJDDVBRPI-UHFFFAOYSA-N 1 0 355.373 2.989 20 5 FFBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+][C@@H]1CCN(c3ccc(F)cc3)C1)OCCO2 ZINC000591267373 519566950 /nfs/dbraw/zinc/56/69/50/519566950.db2.gz FZZJNEBFJLJOSH-OAHLLOKOSA-N 1 0 373.384 2.874 20 5 FFBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000591353339 519604928 /nfs/dbraw/zinc/60/49/28/519604928.db2.gz WLMCFKKFJMXYNA-SJORKVTESA-N 1 0 360.458 2.559 20 5 FFBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCCN(c2cc[nH+]cc2)CC1 ZINC000602847996 519924231 /nfs/dbraw/zinc/92/42/31/519924231.db2.gz XCVOOHGKDIIILA-OAHLLOKOSA-N 1 0 369.425 2.529 20 5 FFBDRO CCC(C)(C)[NH+]1CCN(C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000594389903 519935500 /nfs/dbraw/zinc/93/55/00/519935500.db2.gz PXFVSIVYTMQGFH-UHFFFAOYSA-N 1 0 365.430 2.558 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCN(C)[C@@H](C(C)(C)C)C1 ZINC000602873540 519940398 /nfs/dbraw/zinc/94/03/98/519940398.db2.gz KSEOBZREIDZUQL-QGZVFWFLSA-N 1 0 362.474 2.894 20 5 FFBDRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000594417294 519953889 /nfs/dbraw/zinc/95/38/89/519953889.db2.gz BKYCBSTXESAQEC-SJORKVTESA-N 1 0 370.409 2.595 20 5 FFBDRO O=C(N[C@@H]1CC[NH2+]C12CCC2)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000599928514 519955788 /nfs/dbraw/zinc/95/57/88/519955788.db2.gz NWZGFEOYJUTGKC-NVXWUHKLSA-N 1 0 358.442 2.768 20 5 FFBDRO Cn1ccnc1[C@@H](N[C@H]1CC[NH2+]C2(CCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000591582260 519957600 /nfs/dbraw/zinc/95/76/00/519957600.db2.gz BXHWZJMIMWXRDK-RDJZCZTQSA-N 1 0 355.442 2.682 20 5 FFBDRO CCn1nc(C)c(C[N@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])c1C ZINC000602926004 519976883 /nfs/dbraw/zinc/97/68/83/519976883.db2.gz MUWTWTAHIZOZPJ-UHFFFAOYSA-N 1 0 359.430 2.889 20 5 FFBDRO COc1cc(C[NH2+]C[C@H](C)C(=O)OC(C)(C)C)c([N+](=O)[O-])cc1OC ZINC000594518643 520011444 /nfs/dbraw/zinc/01/14/44/520011444.db2.gz KARACGSMHDJZFK-NSHDSACASA-N 1 0 354.403 2.679 20 5 FFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CCCN2CCCC[C@@H]12 ZINC000594517960 520012228 /nfs/dbraw/zinc/01/22/28/520012228.db2.gz FFJYSNMECBNILU-JLSDUUJJSA-N 1 0 360.458 2.918 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](O)[C@@H]2CCCC[C@@H]21 ZINC000602997442 520012591 /nfs/dbraw/zinc/01/25/91/520012591.db2.gz JXRUGUZBSPVZQT-NJAFHUGGSA-N 1 0 361.442 2.857 20 5 FFBDRO C[C@@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)N1C[C@@H](C)O[C@@H](C)C1 ZINC000594516025 520012621 /nfs/dbraw/zinc/01/26/21/520012621.db2.gz VXXJUSKFSPVCBG-RWMBFGLXSA-N 1 0 373.400 2.784 20 5 FFBDRO Cn1nnc2c1CC[C@H]([NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)C2 ZINC000594521170 520013671 /nfs/dbraw/zinc/01/36/71/520013671.db2.gz MIFKWBJSPQNLQO-JXFKEZNVSA-N 1 0 363.421 2.960 20 5 FFBDRO COc1ccccc1C(C)(C)C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000591728197 520013962 /nfs/dbraw/zinc/01/39/62/520013962.db2.gz QIRYJYNEUVCPLE-OAHLLOKOSA-N 1 0 374.437 2.911 20 5 FFBDRO Cc1cccc2[nH]cc(CC[NH2+]C[C@@H](O)COc3cccc([N+](=O)[O-])c3)c21 ZINC000591733814 520015891 /nfs/dbraw/zinc/01/58/91/520015891.db2.gz OVFYHIYKNJVQAQ-QGZVFWFLSA-N 1 0 369.421 2.957 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@@H]1CCc2ccccc2C1 ZINC000591741847 520018782 /nfs/dbraw/zinc/01/87/82/520018782.db2.gz XDMQDHRJHDLVKZ-CRAIPNDOSA-N 1 0 356.422 2.729 20 5 FFBDRO CC(C)OC1CCC([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000591756986 520024147 /nfs/dbraw/zinc/02/41/47/520024147.db2.gz MOXQBBNOSRRBHN-PCKAHOCUSA-N 1 0 352.431 2.660 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CC2(Cc3ccccc3)CCCC2)c1 ZINC000591759018 520026558 /nfs/dbraw/zinc/02/65/58/520026558.db2.gz QRUKDWACYFMWRU-SFHVURJKSA-N 1 0 358.442 2.545 20 5 FFBDRO Cc1cccc2c1OCC[C@H]2[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000591763494 520028363 /nfs/dbraw/zinc/02/83/63/520028363.db2.gz MWJSKKJOICTHSJ-CRAIPNDOSA-N 1 0 358.394 2.756 20 5 FFBDRO C[NH+](C)[C@@H]1CCc2cc(NC[C@H](O)COc3ccccc3[N+](=O)[O-])ccc21 ZINC000591777678 520035836 /nfs/dbraw/zinc/03/58/36/520035836.db2.gz AIZUELRBTABORO-FUHWJXTLSA-N 1 0 371.437 2.996 20 5 FFBDRO O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CC[NH2+]C2(CCCCC2)C1 ZINC000594628967 520060953 /nfs/dbraw/zinc/06/09/53/520060953.db2.gz RWHPZBZJSGDIGK-UHFFFAOYSA-N 1 0 370.409 2.597 20 5 FFBDRO CCOC(=O)Cc1ccc(NC[C@@]2([NH+](C)C)CCSC2)c([N+](=O)[O-])c1 ZINC000591919399 520086706 /nfs/dbraw/zinc/08/67/06/520086706.db2.gz ZBQWEXCRDDUEOD-KRWDZBQOSA-N 1 0 367.471 2.550 20 5 FFBDRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000597534284 520086994 /nfs/dbraw/zinc/08/69/94/520086994.db2.gz VFINHJSGHPPEOM-CHWSQXEVSA-N 1 0 355.822 2.616 20 5 FFBDRO C[N@@H+]1C[C@@H](CNc2ncnc3cccc([N+](=O)[O-])c32)[C@H](c2ccccc2)C1 ZINC000591985086 520121229 /nfs/dbraw/zinc/12/12/29/520121229.db2.gz CPDGOFBFWJMATC-CVEARBPZSA-N 1 0 363.421 2.717 20 5 FFBDRO CCOc1ccc(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)cc1[N+](=O)[O-] ZINC000608901209 520157835 /nfs/dbraw/zinc/15/78/35/520157835.db2.gz VLEDHMFLCCHRHR-UHFFFAOYSA-N 1 0 353.338 2.827 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@@H]([NH+](C)C)[C@H]1C ZINC000597696062 520179929 /nfs/dbraw/zinc/17/99/29/520179929.db2.gz BCSCZHYBDMHTFN-NTZNESFSSA-N 1 0 355.822 2.567 20 5 FFBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC3(CCC([NH+](C)C)CC3)CC2)n1 ZINC000597704582 520186735 /nfs/dbraw/zinc/18/67/35/520186735.db2.gz VURGUVLLDOHNML-UHFFFAOYSA-N 1 0 363.462 2.538 20 5 FFBDRO C[N@@H+]1CCCC[C@@H](CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000600312983 520198463 /nfs/dbraw/zinc/19/84/63/520198463.db2.gz WLWOOBSJYFPCDH-HNNXBMFYSA-N 1 0 360.458 2.657 20 5 FFBDRO Cn1cncc1CC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592132258 520206666 /nfs/dbraw/zinc/20/66/66/520206666.db2.gz FNFUKSFWSJQSAK-SAABIXHNSA-N 1 0 358.442 2.677 20 5 FFBDRO Cc1ccc(C[N@H+](CC(C)C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c(C)c1 ZINC000592138834 520214533 /nfs/dbraw/zinc/21/45/33/520214533.db2.gz KBNCLBOACKUHDY-LJQANCHMSA-N 1 0 360.458 2.927 20 5 FFBDRO Cn1cc(C[NH2+]C[C@H]2CCN2C(C)(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000594962847 520230441 /nfs/dbraw/zinc/23/04/41/520230441.db2.gz LUCQKGPQIIIBCZ-QGZVFWFLSA-N 1 0 357.458 2.958 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](C(=O)NCc2ccccc2)C1 ZINC000592156306 520231667 /nfs/dbraw/zinc/23/16/67/520231667.db2.gz XSAUBBWPYPKFRI-KRWDZBQOSA-N 1 0 369.421 2.742 20 5 FFBDRO Cn1cc(C[NH2+]CCO[C@@H]2CC2(F)F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000594970805 520234172 /nfs/dbraw/zinc/23/41/72/520234172.db2.gz NSOPEPQWRHBBFA-CQSZACIVSA-N 1 0 352.341 2.509 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCCO[C@@H](c3ccccc3)C2)c1 ZINC000609233551 520241144 /nfs/dbraw/zinc/24/11/44/520241144.db2.gz GJBNUVJJLIMQHN-UYAOXDASSA-N 1 0 372.421 2.798 20 5 FFBDRO CCS(=O)(=O)C1(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000594992600 520245925 /nfs/dbraw/zinc/24/59/25/520245925.db2.gz HEYIHEOMSMHKLQ-UHFFFAOYSA-N 1 0 364.423 2.912 20 5 FFBDRO COc1cc(C[NH2+][C@H]2C[C@H](O)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000595000773 520250557 /nfs/dbraw/zinc/25/05/57/520250557.db2.gz LJLVMHOJIYEUFH-WKILWMFISA-N 1 0 358.394 2.795 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H]1CCCN(c2ncccn2)C1 ZINC000595010198 520254998 /nfs/dbraw/zinc/25/49/98/520254998.db2.gz IQCMFUSZIIRDHW-ZIAGYGMSSA-N 1 0 357.414 2.713 20 5 FFBDRO COc1ccc(C(=O)NCC[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000595015990 520257000 /nfs/dbraw/zinc/25/70/00/520257000.db2.gz WWFNYLAPSPIMQQ-CYBMUJFWSA-N 1 0 373.409 2.693 20 5 FFBDRO Cn1ccnc1[C@@H](NC[C@H]1CC[N@@H+]1C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000595050612 520270761 /nfs/dbraw/zinc/27/07/61/520270761.db2.gz SREDMIIONOYHMM-SJORKVTESA-N 1 0 357.458 2.880 20 5 FFBDRO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000609348047 520289185 /nfs/dbraw/zinc/28/91/85/520289185.db2.gz KCCPEUCBYWTJDJ-MRXNPFEDSA-N 1 0 358.442 2.870 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)c1C ZINC000609353277 520293314 /nfs/dbraw/zinc/29/33/14/520293314.db2.gz VORHURLLYAAZBK-OKILXGFUSA-N 1 0 369.487 2.753 20 5 FFBDRO O=C(NCc1ccccc1[N+](=O)[O-])Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000595233772 520365146 /nfs/dbraw/zinc/36/51/46/520365146.db2.gz BCVMDRMGFHMDTF-QGZVFWFLSA-N 1 0 356.382 2.577 20 5 FFBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCC[C@@H](C)[NH+](C)C ZINC000597993608 520366180 /nfs/dbraw/zinc/36/61/80/520366180.db2.gz UBLSNXXZWCVBKV-SECBINFHSA-N 1 0 358.236 2.736 20 5 FFBDRO COc1cc(C(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)ccc1[N+](=O)[O-] ZINC000595259162 520376899 /nfs/dbraw/zinc/37/68/99/520376899.db2.gz YKWLKJSLTJVMIY-KRWDZBQOSA-N 1 0 357.366 2.517 20 5 FFBDRO O=C(CCc1cccc([N+](=O)[O-])c1)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000595259096 520377051 /nfs/dbraw/zinc/37/70/51/520377051.db2.gz YDKIAKCCLCRKGF-GOSISDBHSA-N 1 0 355.394 2.827 20 5 FFBDRO C[C@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(C2CC(C)(C)[NH2+]C(C)(C)C2)C1=O ZINC000600686226 520396498 /nfs/dbraw/zinc/39/64/98/520396498.db2.gz XHBZSAXYVDCPCC-LJQANCHMSA-N 1 0 374.441 2.671 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCOc2ccccc2C1 ZINC000603909282 520399972 /nfs/dbraw/zinc/39/99/72/520399972.db2.gz QRPUERYNYZJVSQ-UHFFFAOYSA-N 1 0 371.393 2.827 20 5 FFBDRO CC[NH+](CC)CCNC(=O)c1ccc(Oc2cccnc2[N+](=O)[O-])cc1 ZINC000609675026 520403036 /nfs/dbraw/zinc/40/30/36/520403036.db2.gz OUPZPERVVWXUSD-UHFFFAOYSA-N 1 0 358.398 2.854 20 5 FFBDRO CC(C)C[NH+]1CCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000609729662 520416250 /nfs/dbraw/zinc/41/62/50/520416250.db2.gz RIDYBWUFDNVKEP-UHFFFAOYSA-N 1 0 369.849 2.817 20 5 FFBDRO COc1ccc(OCCN2CCCc3cccc(C[NH3+])c32)c([N+](=O)[O-])c1 ZINC000600722902 520425106 /nfs/dbraw/zinc/42/51/06/520425106.db2.gz RRWOJNWFVCKWHD-UHFFFAOYSA-N 1 0 357.410 2.894 20 5 FFBDRO CC1(C)C[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C(C)(C)CO1 ZINC000609767291 520425792 /nfs/dbraw/zinc/42/57/92/520425792.db2.gz UBISJXIFAWHZNN-UHFFFAOYSA-N 1 0 363.414 2.782 20 5 FFBDRO O=C(NCC[N@@H+]1CCc2ccccc2C1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000604085576 520446280 /nfs/dbraw/zinc/44/62/80/520446280.db2.gz GXXUMGZVKDCCKK-UHFFFAOYSA-N 1 0 364.405 2.864 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2[C@H]3Cc4c(cccc4Cl)[C@@H]23)c1 ZINC000600756054 520450884 /nfs/dbraw/zinc/45/08/84/520450884.db2.gz LFOYFBJFZRKKEV-YDISMWLMSA-N 1 0 374.824 2.916 20 5 FFBDRO O=C(N[C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000592567204 520457729 /nfs/dbraw/zinc/45/77/29/520457729.db2.gz ALHWWVNHZALNOW-OAHLLOKOSA-N 1 0 358.442 2.600 20 5 FFBDRO CNc1ccc(C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000604191899 520478354 /nfs/dbraw/zinc/47/83/54/520478354.db2.gz BIWGZDVLBAINOH-MRXNPFEDSA-N 1 0 356.426 2.539 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@@H](O)C3CCOCC3)cs2)c1 ZINC000609919279 520481629 /nfs/dbraw/zinc/48/16/29/520481629.db2.gz XNQXLZXLGNAQHI-MRXNPFEDSA-N 1 0 363.439 2.595 20 5 FFBDRO C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000598195941 520486282 /nfs/dbraw/zinc/48/62/82/520486282.db2.gz XEVBWXDBENKFHI-LJQANCHMSA-N 1 0 367.449 2.913 20 5 FFBDRO CCOC(=O)c1ccnc(NCC2([NH+](C)C)CCCCC2)c1[N+](=O)[O-] ZINC000609960661 520489533 /nfs/dbraw/zinc/48/95/33/520489533.db2.gz IGUYLLQYMIPAGL-UHFFFAOYSA-N 1 0 350.419 2.843 20 5 FFBDRO C[N@@H+]1CC[C@]2(C1)CCCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000595503713 520514818 /nfs/dbraw/zinc/51/48/18/520514818.db2.gz ARJDEGDUERIVNO-KRWDZBQOSA-N 1 0 366.849 2.604 20 5 FFBDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000598261340 520525547 /nfs/dbraw/zinc/52/55/47/520525547.db2.gz REKTVEKUGFHLJU-HNNXBMFYSA-N 1 0 361.442 2.794 20 5 FFBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)NCC1CC[NH+](CC2CC2)CC1 ZINC000595573039 520561497 /nfs/dbraw/zinc/56/14/97/520561497.db2.gz JNQILGNODGEOAD-UHFFFAOYSA-N 1 0 360.458 2.559 20 5 FFBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000604445586 520565230 /nfs/dbraw/zinc/56/52/30/520565230.db2.gz KOBKAFGMPVOGFV-GUTXKFCHSA-N 1 0 371.441 2.949 20 5 FFBDRO CCC[N@@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)C1 ZINC000598343159 520566565 /nfs/dbraw/zinc/56/65/65/520566565.db2.gz TWJLOFARBBCURJ-LLVKDONJSA-N 1 0 370.247 2.880 20 5 FFBDRO C[C@@H](CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)[NH+]1CCC(C)CC1 ZINC000604472089 520570047 /nfs/dbraw/zinc/57/00/47/520570047.db2.gz AGQHAOIZLWVDBQ-HNNXBMFYSA-N 1 0 371.441 2.631 20 5 FFBDRO COc1ccc(OCC[N@H+](C)[C@@H](CO)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000595596569 520581512 /nfs/dbraw/zinc/58/15/12/520581512.db2.gz OTRSVYLOMUCONR-MRXNPFEDSA-N 1 0 360.410 2.518 20 5 FFBDRO Cn1cc([N+](=O)[O-])cc1C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000604509294 520583339 /nfs/dbraw/zinc/58/33/39/520583339.db2.gz YKJZSOKBDFOYJJ-UHFFFAOYSA-N 1 0 360.439 2.734 20 5 FFBDRO C[C@@H]1C[C@@H]1N1C[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1=O ZINC000610272723 520615965 /nfs/dbraw/zinc/61/59/65/520615965.db2.gz GZAGEXXRGQWEMB-MRRJBJDNSA-N 1 0 355.394 2.954 20 5 FFBDRO C[C@@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])c1nccn1C ZINC000598459221 520628047 /nfs/dbraw/zinc/62/80/47/520628047.db2.gz FUCYOVHVLQLGDM-NXEZZACHSA-N 1 0 352.778 2.626 20 5 FFBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc(OCCN3CCOCC3)cc2)cc1 ZINC000601101635 520635893 /nfs/dbraw/zinc/63/58/93/520635893.db2.gz USFDEOMVHMVBRV-UHFFFAOYSA-N 1 0 371.437 2.596 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC2(CCC2)OC[C@H]1C ZINC000595680526 520644257 /nfs/dbraw/zinc/64/42/57/520644257.db2.gz IKMHYSNSIIXDQH-CYBMUJFWSA-N 1 0 363.414 2.575 20 5 FFBDRO O=[N+]([O-])c1cc(F)cnc1NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000601140440 520655592 /nfs/dbraw/zinc/65/55/92/520655592.db2.gz ZAHXCTZGBFEOMT-INIZCTEOSA-N 1 0 360.389 2.698 20 5 FFBDRO C[C@](CO)([NH2+]Cc1ccc(O[C@H]2CCOC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000601150416 520662394 /nfs/dbraw/zinc/66/23/94/520662394.db2.gz XCIZJERAYXOZNW-VQTJNVASSA-N 1 0 372.421 2.760 20 5 FFBDRO COc1ccc(COCC[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000610391527 520663885 /nfs/dbraw/zinc/66/38/85/520663885.db2.gz OZUUDIKUVBKMQG-MRXNPFEDSA-N 1 0 372.425 2.701 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000595706310 520664410 /nfs/dbraw/zinc/66/44/10/520664410.db2.gz YNJZJDVHZJIIQU-AWEZNQCLSA-N 1 0 373.457 2.791 20 5 FFBDRO CSC1(CNc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)CC[NH+](C)CC1 ZINC000601167032 520668817 /nfs/dbraw/zinc/66/88/17/520668817.db2.gz XZQQPZJEHXGBJJ-UHFFFAOYSA-N 1 0 367.397 2.586 20 5 FFBDRO O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)NCC1CC[NH+](CC2CC2)CC1 ZINC000598541908 520690957 /nfs/dbraw/zinc/69/09/57/520690957.db2.gz ORHGODMXJBLXAN-UHFFFAOYSA-N 1 0 373.453 2.796 20 5 FFBDRO O=[N+]([O-])c1ccc(CN2CCC(CO)([NH2+]CC3CC3)CC2)c(Cl)c1 ZINC000593032381 520697145 /nfs/dbraw/zinc/69/71/45/520697145.db2.gz QQMWPVNAWXBKFO-UHFFFAOYSA-N 1 0 353.850 2.575 20 5 FFBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCC[C@@H](CCF)C1 ZINC000595757126 520701969 /nfs/dbraw/zinc/70/19/69/520701969.db2.gz ZPDMVDYFBLCEJE-ZDUSSCGKSA-N 1 0 351.378 2.964 20 5 FFBDRO COc1cc(C[N@@H+]2C[C@H]3COC[C@]3(C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000595756243 520702407 /nfs/dbraw/zinc/70/24/07/520702407.db2.gz FRMFUYJNALOUCD-SJCJKPOMSA-N 1 0 372.368 2.716 20 5 FFBDRO C[C@H]([NH2+][C@H]1CCC[C@@H]1Cc1cnn(C)c1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000595768716 520710983 /nfs/dbraw/zinc/71/09/83/520710983.db2.gz GOZVLGWCLQZWLG-IMJJTQAJSA-N 1 0 371.441 2.656 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H](OC(C)C)C1 ZINC000593054903 520711441 /nfs/dbraw/zinc/71/14/41/520711441.db2.gz HQYIOLWWGWBHCH-HNNXBMFYSA-N 1 0 365.430 2.821 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)c1 ZINC000595786560 520723613 /nfs/dbraw/zinc/72/36/13/520723613.db2.gz BIVMLKJVFLPJEQ-SZVBFZGTSA-N 1 0 364.442 2.616 20 5 FFBDRO C[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CCc2ccccc21 ZINC000593089825 520736861 /nfs/dbraw/zinc/73/68/61/520736861.db2.gz FNPKDMTXTORGOH-WBVHZDCISA-N 1 0 356.422 2.996 20 5 FFBDRO Cc1cc(C[N@@H+]2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)ccn1 ZINC000598604665 520737186 /nfs/dbraw/zinc/73/71/86/520737186.db2.gz PBIFYRNWTFQUCT-UHFFFAOYSA-N 1 0 366.425 2.887 20 5 FFBDRO Cc1ccc(S(=O)(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c(C)c1[N+](=O)[O-] ZINC000598614141 520743905 /nfs/dbraw/zinc/74/39/05/520743905.db2.gz JJHPMTKDTRHMQR-GJZGRUSLSA-N 1 0 367.471 2.507 20 5 FFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593128360 520767694 /nfs/dbraw/zinc/76/76/94/520767694.db2.gz GWHKKUNERRLRSK-RDTXWAMCSA-N 1 0 371.412 2.913 20 5 FFBDRO COC(=O)[C@H]1C[C@@H](N(C)Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000595857512 520772669 /nfs/dbraw/zinc/77/26/69/520772669.db2.gz YGTLDKSPORRPKM-KLPPZKSPSA-N 1 0 357.204 2.741 20 5 FFBDRO CCCN(C)CC(C)(C)[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000595871981 520781437 /nfs/dbraw/zinc/78/14/37/520781437.db2.gz APZZNLSIYPNRMU-UHFFFAOYSA-N 1 0 350.463 2.942 20 5 FFBDRO COc1ccc(NC(=O)CC[N@H+](C)CC2=CCSC2)c([N+](=O)[O-])c1 ZINC000595888469 520795267 /nfs/dbraw/zinc/79/52/67/520795267.db2.gz MSRMOPMUEASFAR-UHFFFAOYSA-N 1 0 351.428 2.537 20 5 FFBDRO Cc1ccc(S(=O)(=O)NCc2ccc([C@@H](C)[NH3+])cc2)c(C)c1[N+](=O)[O-] ZINC000598716799 520808038 /nfs/dbraw/zinc/80/80/38/520808038.db2.gz PVIMJJTZRWDCLO-CYBMUJFWSA-N 1 0 363.439 2.710 20 5 FFBDRO Cc1ccc(S(=O)(=O)NCc2ccc([C@H](C)[NH3+])cc2)c(C)c1[N+](=O)[O-] ZINC000598716800 520808248 /nfs/dbraw/zinc/80/82/48/520808248.db2.gz PVIMJJTZRWDCLO-ZDUSSCGKSA-N 1 0 363.439 2.710 20 5 FFBDRO COc1ccc(OCCN2c3ccccc3CC[C@@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000595902685 520809212 /nfs/dbraw/zinc/80/92/12/520809212.db2.gz FQZXSKXJRIPMAH-OAHLLOKOSA-N 1 0 357.410 2.762 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CCO[C@H](CCC[NH+](C)C)C1 ZINC000595907169 520813997 /nfs/dbraw/zinc/81/39/97/520813997.db2.gz RRNFOGMEGDVETF-QGZVFWFLSA-N 1 0 351.447 2.536 20 5 FFBDRO CCC1([NH+](C)C)CCN(S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])CC1 ZINC000601503186 520816487 /nfs/dbraw/zinc/81/64/87/520816487.db2.gz ZOAIJXAFTREVAE-UHFFFAOYSA-N 1 0 369.487 2.707 20 5 FFBDRO CCC1([NH+](C)C)CCN(S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)CC1 ZINC000601503736 520816740 /nfs/dbraw/zinc/81/67/40/520816740.db2.gz NRDTZYBWZOJMBF-UHFFFAOYSA-N 1 0 373.450 2.537 20 5 FFBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595935026 520832024 /nfs/dbraw/zinc/83/20/24/520832024.db2.gz QOXSDWJSTNCJPW-INIZCTEOSA-N 1 0 360.458 2.635 20 5 FFBDRO C[C@H]1C[C@H](C)CN(c2ccc(C(=O)N(C)CC(C)(C)[NH3+])cc2[N+](=O)[O-])C1 ZINC000595944048 520833648 /nfs/dbraw/zinc/83/36/48/520833648.db2.gz JRAIXKGXJJMNHR-KBPBESRZSA-N 1 0 362.474 2.886 20 5 FFBDRO COc1cc(C(=O)N2C[C@H](C[NH3+])Cc3ccccc32)cc([N+](=O)[O-])c1C ZINC000601552627 520836578 /nfs/dbraw/zinc/83/65/78/520836578.db2.gz VURDTLLEPISTRQ-ZDUSSCGKSA-N 1 0 355.394 2.690 20 5 FFBDRO O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000601560920 520842242 /nfs/dbraw/zinc/84/22/42/520842242.db2.gz ZCFJREVTYSFVBY-CJNGLKHVSA-N 1 0 372.450 2.932 20 5 FFBDRO CCC1([NH+](C)C)CCN(C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000601560699 520842264 /nfs/dbraw/zinc/84/22/64/520842264.db2.gz JQKRTFVLUYFMQD-UHFFFAOYSA-N 1 0 364.446 2.619 20 5 FFBDRO O=C(N[C@@H](C1CC1)C1CCOCC1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000593280165 520877457 /nfs/dbraw/zinc/87/74/57/520877457.db2.gz FVXBKDBBHHIZOQ-SFHVURJKSA-N 1 0 370.409 2.716 20 5 FFBDRO NC(=O)c1cc(NCc2ccccc2C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000596065985 520889646 /nfs/dbraw/zinc/88/96/46/520889646.db2.gz AUIQQHDJFGAMTF-UHFFFAOYSA-N 1 0 354.410 2.902 20 5 FFBDRO O=C(CC[NH2+]C[C@@H]1CCN1Cc1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000596067717 520892016 /nfs/dbraw/zinc/89/20/16/520892016.db2.gz RCSIHKAXPZTZFO-KRWDZBQOSA-N 1 0 368.437 2.788 20 5 FFBDRO O=[N+]([O-])c1cccc(Br)c1NCCCC[NH+]1CCOCC1 ZINC000596077869 520899446 /nfs/dbraw/zinc/89/94/46/520899446.db2.gz RTJYVZBPTIOSOA-UHFFFAOYSA-N 1 0 358.236 2.882 20 5 FFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CNc2ccccc2C1 ZINC000593318227 520904677 /nfs/dbraw/zinc/90/46/77/520904677.db2.gz BSCOXNWHANSKIO-XJKSGUPXSA-N 1 0 354.410 2.938 20 5 FFBDRO CN(c1ccccc1)c1ccc(CN2CCOC3(C[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000596103141 520914320 /nfs/dbraw/zinc/91/43/20/520914320.db2.gz BBINTKFVJKYTDZ-UHFFFAOYSA-N 1 0 368.437 2.537 20 5 FFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000598916499 520914799 /nfs/dbraw/zinc/91/47/99/520914799.db2.gz ZVTMGRKULJTJHP-QWHCGFSZSA-N 1 0 350.394 2.977 20 5 FFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000598916500 520915459 /nfs/dbraw/zinc/91/54/59/520915459.db2.gz ZVTMGRKULJTJHP-STQMWFEESA-N 1 0 350.394 2.977 20 5 FFBDRO COC(=O)c1c(Cl)c(N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000596168166 520948582 /nfs/dbraw/zinc/94/85/82/520948582.db2.gz LVELVCSLTTZFKY-RYUDHWBXSA-N 1 0 367.833 2.955 20 5 FFBDRO CC(C)(C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)C(=O)N1CCCC1 ZINC000599007762 520975893 /nfs/dbraw/zinc/97/58/93/520975893.db2.gz PXYIBDKEVBFODY-UHFFFAOYSA-N 1 0 371.384 2.934 20 5 FFBDRO CC(C)[C@H](CNc1ccnc2cc([N+](=O)[O-])ccc21)[NH+]1CCN(C)CC1 ZINC000593457268 521006156 /nfs/dbraw/zinc/00/61/56/521006156.db2.gz KGQHDAHGXKLEEO-IBGZPJMESA-N 1 0 357.458 2.827 20 5 FFBDRO O=[N+]([O-])c1c2ccncc2ccc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000599073385 521016791 /nfs/dbraw/zinc/01/67/91/521016791.db2.gz BYTXOZUTPJLKQO-HNNXBMFYSA-N 1 0 356.426 2.692 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000596307339 521019133 /nfs/dbraw/zinc/01/91/33/521019133.db2.gz KSMYNZJPLSYSEM-LBPRGKRZSA-N 1 0 355.460 2.531 20 5 FFBDRO Cc1c([C@@H](C)[NH2+]CC(=O)Nc2ccc3c(c2)OCCO3)cccc1[N+](=O)[O-] ZINC000599087245 521024525 /nfs/dbraw/zinc/02/45/25/521024525.db2.gz GVODCAOPKFWBRV-CYBMUJFWSA-N 1 0 371.393 2.964 20 5 FFBDRO O=[N+]([O-])c1cnc(N2CCO[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]32)c(F)c1 ZINC000593496999 521033117 /nfs/dbraw/zinc/03/31/17/521033117.db2.gz ZFLWGULRBAOVRR-ZWKOTPCHSA-N 1 0 372.400 2.609 20 5 FFBDRO CCOc1cc(N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)ccc1[N+](=O)[O-] ZINC000611297289 521085941 /nfs/dbraw/zinc/08/59/41/521085941.db2.gz COTMBPVAEHNJOH-QGZVFWFLSA-N 1 0 362.474 2.598 20 5 FFBDRO CCOC(=O)c1ccnc(N[C@@H]2CC[N@@H+](C3CCCCC3)C2)c1[N+](=O)[O-] ZINC000596477865 521091578 /nfs/dbraw/zinc/09/15/78/521091578.db2.gz LCVHDQRFZKLGDI-CYBMUJFWSA-N 1 0 362.430 2.985 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2Nc2cnn(-c3cc[nH+]cc3)c2)n1 ZINC000618574542 521130846 /nfs/dbraw/zinc/13/08/46/521130846.db2.gz BRIHVAHWKCQJLA-JKSUJKDBSA-N 1 0 353.386 2.968 20 5 FFBDRO C[C@@H](CNC(=O)c1c(Br)cccc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000599303528 521138368 /nfs/dbraw/zinc/13/83/68/521138368.db2.gz RBJHTYMXXGFDRP-VIFPVBQESA-N 1 0 356.220 2.570 20 5 FFBDRO CCCN(CC[NH+](C)C)C(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599341771 521162410 /nfs/dbraw/zinc/16/24/10/521162410.db2.gz LPESTSVNDBPQHM-UHFFFAOYSA-N 1 0 358.236 2.771 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](NC[C@H]2CCC[N@H+]2CCCO)C(F)(F)F)cc1 ZINC000593713125 521169683 /nfs/dbraw/zinc/16/96/83/521169683.db2.gz UXAFWIIPHFVWOZ-CABCVRRESA-N 1 0 361.364 2.635 20 5 FFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC[C@@]1(O)CCCOC1 ZINC000593719819 521174189 /nfs/dbraw/zinc/17/41/89/521174189.db2.gz HQYIRKUUCSQOOP-PBHICJAKSA-N 1 0 354.472 2.987 20 5 FFBDRO Cc1cnccc1C[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000599370483 521179668 /nfs/dbraw/zinc/17/96/68/521179668.db2.gz IRNGBDSAIQOHTC-UHFFFAOYSA-N 1 0 366.425 2.887 20 5 FFBDRO O=C(N[C@H]1C[C@@H]([NH+]2CCCC2)C1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000602167696 521182974 /nfs/dbraw/zinc/18/29/74/521182974.db2.gz SARCRFVNKHXIHF-KLPPZKSPSA-N 1 0 355.341 2.553 20 5 FFBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599437758 521224121 /nfs/dbraw/zinc/22/41/21/521224121.db2.gz LXFDJWFJGDSTSG-LLVKDONJSA-N 1 0 370.247 2.962 20 5 FFBDRO CN(C(=O)c1c(Br)cccc1[N+](=O)[O-])[C@H]1CC[N@@H+](C2CC2)C1 ZINC000599442117 521225362 /nfs/dbraw/zinc/22/53/62/521225362.db2.gz QGCODQGTWMDPIP-NSHDSACASA-N 1 0 368.231 2.666 20 5 FFBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC(Cc3nc(C4CCCC4)no3)CC2)n1 ZINC000599507496 521265830 /nfs/dbraw/zinc/26/58/30/521265830.db2.gz BFGMZUQLCNYJQB-UHFFFAOYSA-N 1 0 374.445 2.787 20 5 FFBDRO CN(CC[NH+]1CCCCC1)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000593883445 521270962 /nfs/dbraw/zinc/27/09/62/521270962.db2.gz OBBGJWZLNZMFON-UHFFFAOYSA-N 1 0 357.414 2.543 20 5 FFBDRO C[C@H]1CCCN(c2ccc(C(=O)NCCC3CC[NH2+]CC3)cc2[N+](=O)[O-])C1 ZINC000593920106 521292897 /nfs/dbraw/zinc/29/28/97/521292897.db2.gz XOKQFYLDRJWWCV-HNNXBMFYSA-N 1 0 374.485 2.951 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000596837204 521322583 /nfs/dbraw/zinc/32/25/83/521322583.db2.gz AKYXCHYVNHZXCY-HNNXBMFYSA-N 1 0 365.478 2.605 20 5 FFBDRO CC(C)[C@H]1C[NH2+]CCN1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000599604478 521326023 /nfs/dbraw/zinc/32/60/23/521326023.db2.gz QABMQTDKXXZXSY-CYBMUJFWSA-N 1 0 371.235 2.819 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCc2c(O)cccc2C1 ZINC000599645852 521357168 /nfs/dbraw/zinc/35/71/68/521357168.db2.gz GOGJBHFGQZRTOO-UHFFFAOYSA-N 1 0 371.393 2.696 20 5 FFBDRO COC(=O)[C@](C)(NC[C@@H]1CCCC[N@@H+]1C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000599651143 521362131 /nfs/dbraw/zinc/36/21/31/521362131.db2.gz HGTMWXDGPBRPEN-PKOBYXMFSA-N 1 0 363.458 2.836 20 5 FFBDRO Cn1cc(CN2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c([N+](=O)[O-])n1 ZINC000602473066 521365922 /nfs/dbraw/zinc/36/59/22/521365922.db2.gz IMGUYQHWTYVNBS-HXUWFJFHSA-N 1 0 369.469 2.816 20 5 FFBDRO CC(C)OC(=O)C[C@@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000594045900 521369906 /nfs/dbraw/zinc/36/99/06/521369906.db2.gz MQDFQHGBGLWGJH-MRXNPFEDSA-N 1 0 365.430 2.514 20 5 FFBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H](CC)[C@@H]2CCCCO2)c([N+](=O)[O-])c1 ZINC000594044449 521370858 /nfs/dbraw/zinc/37/08/58/521370858.db2.gz QXQYLMVYKXGCFY-YOEHRIQHSA-N 1 0 365.430 2.869 20 5 FFBDRO Cn1cc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c([N+](=O)[O-])n1 ZINC000602481696 521371124 /nfs/dbraw/zinc/37/11/24/521371124.db2.gz CTQRBOLFCYRHCI-PKOBYXMFSA-N 1 0 369.469 2.815 20 5 FFBDRO O=C(N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000602495541 521378274 /nfs/dbraw/zinc/37/82/74/521378274.db2.gz DTAMNLRWUUKDQC-CVEARBPZSA-N 1 0 357.454 2.865 20 5 FFBDRO COC(=O)[C@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)Cc2ccccc21 ZINC000599671022 521386448 /nfs/dbraw/zinc/38/64/48/521386448.db2.gz VYIFYFRTVJNRTM-SFHVURJKSA-N 1 0 356.378 2.746 20 5 FFBDRO CC(C)(C)C(=O)NCC[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602545169 521403564 /nfs/dbraw/zinc/40/35/64/521403564.db2.gz URXTUKYMXUQNOT-UHFFFAOYSA-N 1 0 364.265 2.671 20 5 FFBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000594102270 521404198 /nfs/dbraw/zinc/40/41/98/521404198.db2.gz JAOXKUAHHKZVHQ-PHIMTYICSA-N 1 0 370.247 2.736 20 5 FFBDRO O=[N+]([O-])c1sc(C[NH2+][C@@H]2CCN(CC3CC3)C2)cc1Br ZINC000602564007 521413423 /nfs/dbraw/zinc/41/34/23/521413423.db2.gz KHOUFYXPLHOFMK-SNVBAGLBSA-N 1 0 360.277 2.993 20 5 FFBDRO [NH3+][C@@H]1CCCCCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000602580278 521421454 /nfs/dbraw/zinc/42/14/54/521421454.db2.gz XIXCPRUTJDCZAF-LLVKDONJSA-N 1 0 356.220 2.701 20 5 FFBDRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000594197195 521462448 /nfs/dbraw/zinc/46/24/48/521462448.db2.gz AXHSBNSJFXCAKB-DLBZAZTESA-N 1 0 372.469 2.942 20 5 FFBDRO O=[N+]([O-])c1sc(C[NH2+]C[C@@H](CO)c2cccnc2)cc1Br ZINC000602662557 521466136 /nfs/dbraw/zinc/46/61/36/521466136.db2.gz PAOVHKOCQBUQAE-JTQLQIEISA-N 1 0 372.244 2.680 20 5 FFBDRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000594204717 521470107 /nfs/dbraw/zinc/47/01/07/521470107.db2.gz XOKHXFBGRJYQLV-SJLPKXTDSA-N 1 0 369.425 2.527 20 5 FFBDRO Cc1cnc(CC[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)cn1 ZINC000602688500 521481152 /nfs/dbraw/zinc/48/11/52/521481152.db2.gz SHJHNAYBUUHTMD-UHFFFAOYSA-N 1 0 357.233 2.850 20 5 FFBDRO CO[C@H]1c2ccccc2C[C@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602693742 521483344 /nfs/dbraw/zinc/48/33/44/521483344.db2.gz GICJGYZPDDODNR-QUCCMNQESA-N 1 0 368.437 2.861 20 5 FFBDRO O=[N+]([O-])c1sc(C[NH2+][C@@H]2CCN(CC(F)F)C2)cc1Br ZINC000602698075 521484087 /nfs/dbraw/zinc/48/40/87/521484087.db2.gz XGYFPRYFFQMTQS-SSDOTTSWSA-N 1 0 370.219 2.848 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1CCC(c2cccnc2)CC1 ZINC000612113081 521487940 /nfs/dbraw/zinc/48/79/40/521487940.db2.gz YRJQOSFVKGPWSC-QGZVFWFLSA-N 1 0 357.410 2.609 20 5 FFBDRO COc1cccc(OC)c1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602711974 521491023 /nfs/dbraw/zinc/49/10/23/521491023.db2.gz WFXGMKZKXQKSOM-UHFFFAOYSA-N 1 0 372.425 2.766 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@H]3CCN3C3CCCCC3)CC2)cn1 ZINC000602719717 521495324 /nfs/dbraw/zinc/49/53/24/521495324.db2.gz FMEJBQAOMCBKDB-LJQANCHMSA-N 1 0 373.501 2.955 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@H]3CCN3C3CCCC3)CC2)cn1 ZINC000602725249 521497255 /nfs/dbraw/zinc/49/72/55/521497255.db2.gz KOOXWMFEFVREKX-GOSISDBHSA-N 1 0 359.474 2.565 20 5 FFBDRO COc1cc(C[NH2+][C@@H]2C[C@H](C)O[C@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000602732573 521501899 /nfs/dbraw/zinc/50/18/99/521501899.db2.gz AGDOLEZFDSUGAG-JBLDHEPKSA-N 1 0 360.357 2.903 20 5 FFBDRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000594242054 521503939 /nfs/dbraw/zinc/50/39/39/521503939.db2.gz YFNOQRZXQXLLSS-BJHJDKERSA-N 1 0 374.363 2.753 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)[C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000602783311 521528811 /nfs/dbraw/zinc/52/88/11/521528811.db2.gz OJYWCKPVCVCCKK-OIRASMEMSA-N 1 0 350.444 2.530 20 5 FFBDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCc1cn(C)nc1[N+](=O)[O-] ZINC000602813414 521548075 /nfs/dbraw/zinc/54/80/75/521548075.db2.gz XKDCFXFFRSKBMC-HWWDLCQESA-N 1 0 357.458 2.575 20 5 FFBDRO C[NH+](C)CCc1ccc(C(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000594360182 521574838 /nfs/dbraw/zinc/57/48/38/521574838.db2.gz HIZSDGDHWRQBLM-UHFFFAOYSA-N 1 0 369.421 2.734 20 5 FFBDRO C[C@](O)(CO)C[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000619464226 521581898 /nfs/dbraw/zinc/58/18/98/521581898.db2.gz ATAZVRBKNREGPJ-QGZVFWFLSA-N 1 0 366.801 2.873 20 5 FFBDRO COc1cc(CN2Cc3cnn(C)c3CC(C)(C)C2)c([N+](=O)[O-])cc1OC ZINC000597257537 521599265 /nfs/dbraw/zinc/59/92/65/521599265.db2.gz GITMJCYGAILKGW-UHFFFAOYSA-N 1 0 374.441 2.930 20 5 FFBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccccc1Nc1cc[nH+]cc1 ZINC000619581574 521782422 /nfs/dbraw/zinc/78/24/22/521782422.db2.gz JBYAWPNCCKKUIJ-UHFFFAOYSA-N 1 0 366.381 2.689 20 5 FFBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000533949368 562522037 /nfs/dbraw/zinc/52/20/37/562522037.db2.gz QYXIPZOTBJGFIY-UHFFFAOYSA-N 1 0 362.349 2.838 20 5 FFBDRO O=[N+]([O-])c1cc(NC[C@H](c2ccco2)[NH+]2CCCC2)ccc1-c1nn[nH]n1 ZINC000823634758 606645266 /nfs/dbraw/zinc/64/52/66/606645266.db2.gz LRBGUNNQQUOEFK-OAHLLOKOSA-N 1 0 369.385 2.617 20 5 FFBDRO C[NH+](C)[C@@H](CNc1ccc(-c2nn[nH]n2)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000825848428 607840488 /nfs/dbraw/zinc/84/04/88/607840488.db2.gz CRBIYDREXCWTTR-INIZCTEOSA-N 1 0 359.434 2.697 20 5 FFBDRO Cc1c(C[NH2+]C2(c3cccc(-c4nn[nH]n4)c3)CC2)cccc1[N+](=O)[O-] ZINC000826236482 608532366 /nfs/dbraw/zinc/53/23/66/608532366.db2.gz OCPMFQOMHHWYQS-UHFFFAOYSA-N 1 0 350.382 2.862 20 5 FFBDRO O=[N+]([O-])c1ccc(CC[NH2+]C2(c3cccc(-c4nn[nH]n4)c3)CC2)cc1 ZINC000826498457 608533323 /nfs/dbraw/zinc/53/33/23/608533323.db2.gz VRYBFPXDHBFQES-UHFFFAOYSA-N 1 0 350.382 2.596 20 5 FFBDRO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824599886 609341603 /nfs/dbraw/zinc/34/16/03/609341603.db2.gz UEJLCMIXWXHVJW-NSHDSACASA-N 1 0 372.360 2.644 20 5 FFBDRO Cc1nc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)ncc1[N+](=O)[O-] ZINC001164631590 719108590 /nfs/dbraw/zinc/10/85/90/719108590.db2.gz YRCOQKILAOWBTJ-AEFFLSMTSA-N 1 0 353.426 2.794 20 5 FFBDRO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CCC(C[NH+](C)C)CC1 ZINC001165042623 721943043 /nfs/dbraw/zinc/94/30/43/721943043.db2.gz OOAHAZONBBOLRV-UHFFFAOYSA-N 1 0 370.837 2.598 20 5 FFBDRO CC(C)[C@H]1CN(CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)CCS1 ZINC000154772215 728811351 /nfs/dbraw/zinc/81/13/51/728811351.db2.gz SVOUBLUYCCMTTK-MRXNPFEDSA-N 1 0 364.471 2.868 20 5 FFBDRO Cc1c(C[NH2+][C@@H]2CCc3ncc(Br)n3C2)cccc1[N+](=O)[O-] ZINC000898721489 735399281 /nfs/dbraw/zinc/39/92/81/735399281.db2.gz SMTAUBFXWWTDNB-GFCCVEGCSA-N 1 0 365.231 2.967 20 5 FFBDRO CC[N@@H+]1CCC[C@H]1CNC(=S)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000746535442 735491866 /nfs/dbraw/zinc/49/18/66/735491866.db2.gz ZNMSWOAIUWDJOS-INIZCTEOSA-N 1 0 362.499 2.918 20 5 FFBDRO O=[N+]([O-])c1ccc(Cl)cc1CN1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000746671950 735503710 /nfs/dbraw/zinc/50/37/10/735503710.db2.gz CQITUZMFUPZIBT-MRXNPFEDSA-N 1 0 353.850 2.935 20 5 FFBDRO CON(C)C(=O)[C@H](CCSC)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000090462412 728450770 /nfs/dbraw/zinc/45/07/70/728450770.db2.gz BDRANMUUQXICRH-JSGCOSHPSA-N 1 0 355.460 2.695 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000106867841 728512636 /nfs/dbraw/zinc/51/26/36/728512636.db2.gz SMJXNWYWBLHNHW-CYBMUJFWSA-N 1 0 351.403 2.702 20 5 FFBDRO O=[N+]([O-])c1ccc(Cl)cc1CN1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000174858457 729081584 /nfs/dbraw/zinc/08/15/84/729081584.db2.gz HOSGBHKBGAJQRZ-CQSZACIVSA-N 1 0 353.850 2.792 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N(C)CC[C@@H]([NH3+])C(C)C)c1 ZINC000193303638 729474076 /nfs/dbraw/zinc/47/40/76/729474076.db2.gz PKSJBOKLFBVZDG-LLVKDONJSA-N 1 0 363.867 2.551 20 5 FFBDRO CC1CC[NH+](CCCCNS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000194346436 729508020 /nfs/dbraw/zinc/50/80/20/729508020.db2.gz IDBGXPRWOJOTIV-UHFFFAOYSA-N 1 0 373.450 2.524 20 5 FFBDRO CC(C)[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CC[NH2+]1 ZINC000856484662 730341586 /nfs/dbraw/zinc/34/15/86/730341586.db2.gz GTQYARCXYXCHDT-NSHDSACASA-N 1 0 374.210 2.566 20 5 FFBDRO C[C@@H]1CN(c2cccc(Br)c2[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC000856744103 730353314 /nfs/dbraw/zinc/35/33/14/730353314.db2.gz GUVJLAHDAZJVHY-LLVKDONJSA-N 1 0 372.263 2.639 20 5 FFBDRO C[NH+](C)CCC[C@H]1CN(c2cccc(Br)c2[N+](=O)[O-])CCO1 ZINC000856772805 730356809 /nfs/dbraw/zinc/35/68/09/730356809.db2.gz GCFZTWRYAYNBAS-LBPRGKRZSA-N 1 0 372.263 2.904 20 5 FFBDRO C[C@@H]1C[NH+](CCCCNC(=O)c2cccc([N+](=O)[O-])c2Cl)C[C@@H](C)O1 ZINC000859942401 730469932 /nfs/dbraw/zinc/46/99/32/730469932.db2.gz UCRDVDALUSVBMH-CHWSQXEVSA-N 1 0 369.849 2.867 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](C)c1ccns1 ZINC000860053922 730474421 /nfs/dbraw/zinc/47/44/21/730474421.db2.gz CSCIKGNXJWAHTP-SNVBAGLBSA-N 1 0 350.400 2.739 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C)c1ccns1 ZINC000860053921 730474481 /nfs/dbraw/zinc/47/44/81/730474481.db2.gz CSCIKGNXJWAHTP-JTQLQIEISA-N 1 0 350.400 2.739 20 5 FFBDRO Cc1c(NC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)cccc1[N+](=O)[O-] ZINC000925138528 738481124 /nfs/dbraw/zinc/48/11/24/738481124.db2.gz HINXVWRCUKEHSD-DZGCQCFKSA-N 1 0 350.444 2.605 20 5 FFBDRO C[C@@H](NC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000925167373 738484639 /nfs/dbraw/zinc/48/46/39/738484639.db2.gz BVYCFPQPSSROPY-WQVCFCJDSA-N 1 0 364.471 2.535 20 5 FFBDRO O=[N+]([O-])c1ccc(CN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1Cl ZINC000863652499 730799153 /nfs/dbraw/zinc/79/91/53/730799153.db2.gz ZQHCDGHRCHDNSJ-OAHLLOKOSA-N 1 0 353.850 2.839 20 5 FFBDRO CN1CC[NH+](CC2CN(c3c(Cl)c(Cl)ccc3[N+](=O)[O-])C2)CC1 ZINC000865916484 731010821 /nfs/dbraw/zinc/01/08/21/731010821.db2.gz NDBZHABTKJTMMR-UHFFFAOYSA-N 1 0 359.257 2.585 20 5 FFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCc1cn2c(n1)SCC2 ZINC000866341376 731050534 /nfs/dbraw/zinc/05/05/34/731050534.db2.gz QGLLDHFCLXIYJL-LLVKDONJSA-N 1 0 350.419 2.799 20 5 FFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H]1CC2(CO1)CCOCC2 ZINC000866535706 731072010 /nfs/dbraw/zinc/07/20/10/731072010.db2.gz WMLQECWIGYXMNP-XJKSGUPXSA-N 1 0 352.406 2.840 20 5 FFBDRO C[NH+](C)CCCC1CCN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000867122730 731146386 /nfs/dbraw/zinc/14/63/86/731146386.db2.gz ZJHYXDDUWXVEIO-UHFFFAOYSA-N 1 0 351.422 2.857 20 5 FFBDRO C[C@]([NH3+])(C(=O)NCCC[C@H]1CC1(Cl)Cl)c1cccc([N+](=O)[O-])c1 ZINC000867983112 731248725 /nfs/dbraw/zinc/24/87/25/731248725.db2.gz KHZDBGNTBKZPAZ-SMDDNHRTSA-N 1 0 360.241 2.859 20 5 FFBDRO C[N@@H+]1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CCC1(C)C ZINC000871155494 731601057 /nfs/dbraw/zinc/60/10/57/731601057.db2.gz SHIKJAWKTUXSBN-UHFFFAOYSA-N 1 0 370.247 2.914 20 5 FFBDRO C[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CCC1(C)C ZINC000871156309 731601292 /nfs/dbraw/zinc/60/12/92/731601292.db2.gz WBBVXDNCZHXEIW-UHFFFAOYSA-N 1 0 357.357 2.753 20 5 FFBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1CC[C@H](C(=O)N(C)C)O1 ZINC000872052690 731724453 /nfs/dbraw/zinc/72/44/53/731724453.db2.gz GDXYWVYTFJFZKV-NJZAAPMLSA-N 1 0 367.471 2.603 20 5 FFBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC1(N2CCOCC2)CC1 ZINC000872066859 731726032 /nfs/dbraw/zinc/72/60/32/731726032.db2.gz SDRLMLLGLCENDR-CYBMUJFWSA-N 1 0 351.472 2.832 20 5 FFBDRO CC[C@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000872119971 731731672 /nfs/dbraw/zinc/73/16/72/731731672.db2.gz LWPYJRAFDVBPBV-BHJGYWERSA-N 1 0 352.456 2.991 20 5 FFBDRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2csc([N+](=O)[O-])c2)cc1OC ZINC000873190556 731888611 /nfs/dbraw/zinc/88/86/11/731888611.db2.gz AVOGJTJTCMGNSS-KRWDZBQOSA-N 1 0 366.439 2.757 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)CCCCCC[NH3+] ZINC000877441014 732362262 /nfs/dbraw/zinc/36/22/62/732362262.db2.gz SYGOWEOLCINFHQ-GFCCVEGCSA-N 1 0 357.838 2.993 20 5 FFBDRO COC(=O)C1=CC[C@@H]([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000877651527 732406071 /nfs/dbraw/zinc/40/60/71/732406071.db2.gz JJXHHRSXGVYZPT-MRVPVSSYSA-N 1 0 361.217 2.770 20 5 FFBDRO C[NH+](C)[C@H]1CCCN(Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC000878041634 732473292 /nfs/dbraw/zinc/47/32/92/732473292.db2.gz WGRXCQMKZJUIRE-LBPRGKRZSA-N 1 0 365.821 2.824 20 5 FFBDRO CC[N@H+]1[C@H](C)CN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000878837335 732603014 /nfs/dbraw/zinc/60/30/14/732603014.db2.gz WOQSWADQCZSOOY-TXEJJXNPSA-N 1 0 354.838 2.601 20 5 FFBDRO CC[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(CC(F)(F)F)C1 ZINC000878943488 732619427 /nfs/dbraw/zinc/61/94/27/732619427.db2.gz GTMAWIDEYVWBED-HUUCEWRRSA-N 1 0 361.364 2.587 20 5 FFBDRO C[C@@]12COC[C@H]1C[N@H+](Cc1nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o1)C2 ZINC000878949131 732620537 /nfs/dbraw/zinc/62/05/37/732620537.db2.gz IXLUSQSQGCQURP-QLJPJBMISA-N 1 0 364.789 2.767 20 5 FFBDRO COC[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1cccc(Br)c1 ZINC000879662006 732746141 /nfs/dbraw/zinc/74/61/41/732746141.db2.gz NZIOVRGHJVQDKN-CQSZACIVSA-N 1 0 369.219 2.531 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000879670765 732748422 /nfs/dbraw/zinc/74/84/22/732748422.db2.gz CCVVLKVVVDJWFI-YNEHKIRRSA-N 1 0 360.332 2.821 20 5 FFBDRO CO[C@@H]1COCC[C@H]1[N@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000880435219 732907502 /nfs/dbraw/zinc/90/75/02/732907502.db2.gz KGUYBUYTQIPRKJ-TZMCWYRMSA-N 1 0 359.220 2.593 20 5 FFBDRO CC(C)(C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])CS(C)(=O)=O ZINC000926954578 738673356 /nfs/dbraw/zinc/67/33/56/738673356.db2.gz VDPYMRJRXMBKDJ-GOEBONIOSA-N 1 0 368.499 2.966 20 5 FFBDRO CC(C)(C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])CS(C)(=O)=O ZINC000926954579 738673508 /nfs/dbraw/zinc/67/35/08/738673508.db2.gz VDPYMRJRXMBKDJ-HOCLYGCPSA-N 1 0 368.499 2.966 20 5 FFBDRO COCC[N@H+](C)CCCC1CCN(c2ccnc(F)c2[N+](=O)[O-])CC1 ZINC000882146620 733179168 /nfs/dbraw/zinc/17/91/68/733179168.db2.gz ANLUMJSLKONFFG-UHFFFAOYSA-N 1 0 354.426 2.704 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]Cc2nc3c(s2)COCC3)n1 ZINC000927117195 738692691 /nfs/dbraw/zinc/69/26/91/738692691.db2.gz KJJFSOQFWGVZCP-WCQYABFASA-N 1 0 363.443 2.594 20 5 FFBDRO COc1ccc(C[NH2+]C[C@H]2CCC3(CCOCC3)CO2)cc1[N+](=O)[O-] ZINC000883255388 733356558 /nfs/dbraw/zinc/35/65/58/733356558.db2.gz UKFBDLYMKGCOMU-OAHLLOKOSA-N 1 0 350.415 2.669 20 5 FFBDRO CC1(C)C[C@@H]([NH2+]CC[C@H]2CCCS2(=O)=O)c2cc([N+](=O)[O-])ccc21 ZINC000883308118 733365834 /nfs/dbraw/zinc/36/58/34/733365834.db2.gz IIVZVLYBBJKWBL-CZUORRHYSA-N 1 0 352.456 2.874 20 5 FFBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]CC[C@H]1CCCS1(=O)=O ZINC000883307244 733366103 /nfs/dbraw/zinc/36/61/03/733366103.db2.gz PNDZGEOZVIBMQE-USXIJHARSA-N 1 0 366.483 2.863 20 5 FFBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC[C@H]1CCCS1(=O)=O ZINC000883309862 733366961 /nfs/dbraw/zinc/36/69/61/733366961.db2.gz WCKBJXLNDXDOTE-DGCLKSJQSA-N 1 0 358.485 2.935 20 5 FFBDRO O=[N+]([O-])c1c(N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cccc1C(F)(F)F ZINC000884560364 733539500 /nfs/dbraw/zinc/53/95/00/733539500.db2.gz VSLWREXYEZSOBF-GFCCVEGCSA-N 1 0 359.348 2.649 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)cc1Cl ZINC000885889163 733726522 /nfs/dbraw/zinc/72/65/22/733726522.db2.gz YFJVOXCYXOIXPX-ZDUSSCGKSA-N 1 0 367.833 2.540 20 5 FFBDRO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886200344 733759221 /nfs/dbraw/zinc/75/92/21/733759221.db2.gz IDJMJDIVDSTCLS-OCCSQVGLSA-N 1 0 350.419 2.725 20 5 FFBDRO CN(C)c1cc[nH+]c(CNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])c1 ZINC000927699577 738771708 /nfs/dbraw/zinc/77/17/08/738771708.db2.gz XQECSSOJZXOLBL-UHFFFAOYSA-N 1 0 366.780 2.707 20 5 FFBDRO CCOc1cc(NC(=O)N(C)CCC[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000888831561 734103476 /nfs/dbraw/zinc/10/34/76/734103476.db2.gz LUYCVYHHTAAGNL-UHFFFAOYSA-N 1 0 350.419 2.943 20 5 FFBDRO CC(C)(C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000928095253 738821448 /nfs/dbraw/zinc/82/14/48/738821448.db2.gz NRZXRWZAGSHEPF-CVEARBPZSA-N 1 0 363.483 2.568 20 5 FFBDRO CC[NH+](CC)CCN(CCOC)C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000729659953 734589426 /nfs/dbraw/zinc/58/94/26/734589426.db2.gz IRKPABWUQOXSDR-UHFFFAOYSA-N 1 0 357.838 2.679 20 5 FFBDRO CS(=O)(=O)CC1CCC([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000894668175 734898518 /nfs/dbraw/zinc/89/85/18/734898518.db2.gz KVLZUCFBEPYEDL-UHFFFAOYSA-N 1 0 360.863 2.941 20 5 FFBDRO COc1c(O)ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)c1[N+](=O)[O-] ZINC000894699874 734902682 /nfs/dbraw/zinc/90/26/82/734902682.db2.gz LQEGBWJLNCSPAL-RBSFLKMASA-N 1 0 350.415 2.825 20 5 FFBDRO COc1c(O)ccc(C[N@@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)c1[N+](=O)[O-] ZINC000894866944 734929626 /nfs/dbraw/zinc/92/96/26/734929626.db2.gz GANKQWWLSKUQQF-LSDHHAIUSA-N 1 0 350.415 2.682 20 5 FFBDRO CC[C@H](C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)C(=O)OC ZINC000895127238 734966241 /nfs/dbraw/zinc/96/62/41/734966241.db2.gz HIHFIPBBWFNMFS-SSDOTTSWSA-N 1 0 351.222 2.708 20 5 FFBDRO Cn1cc(CCC[NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])cn1 ZINC000895610955 735032119 /nfs/dbraw/zinc/03/21/19/735032119.db2.gz NRAHJPSOYPPNHY-UHFFFAOYSA-N 1 0 353.220 2.813 20 5 FFBDRO COc1ccc(C[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F)cc1[N+](=O)[O-] ZINC000899872658 735564217 /nfs/dbraw/zinc/56/42/17/735564217.db2.gz DKPXZDXFAQPXIM-LLVKDONJSA-N 1 0 358.263 2.642 20 5 FFBDRO CC(C)OCC[NH+]1CCC(NC(=S)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000747668167 735580003 /nfs/dbraw/zinc/58/00/03/735580003.db2.gz UASULETTWJTHNM-UHFFFAOYSA-N 1 0 366.487 2.771 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000749544344 735729970 /nfs/dbraw/zinc/72/99/70/735729970.db2.gz DEKWYRDGEKPQCG-OIISXLGYSA-N 1 0 353.850 2.932 20 5 FFBDRO COc1cc([C@H](C)[NH2+][C@H]2CCC[C@H](S(C)(=O)=O)C2)cc([N+](=O)[O-])c1 ZINC000903120905 736034618 /nfs/dbraw/zinc/03/46/18/736034618.db2.gz PBMBPCFSWNSSJX-RBOXIYTFSA-N 1 0 356.444 2.610 20 5 FFBDRO C[C@@H](CCNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000753291801 736052740 /nfs/dbraw/zinc/05/27/40/736052740.db2.gz OYDYRLSFJGLMDB-NSHDSACASA-N 1 0 363.443 2.594 20 5 FFBDRO [NH3+]CCN(Cc1c(Br)cccc1[N+](=O)[O-])CC(F)(F)F ZINC000903781984 736166338 /nfs/dbraw/zinc/16/63/38/736166338.db2.gz CNUTXBBXEUWKNF-UHFFFAOYSA-N 1 0 356.142 2.680 20 5 FFBDRO C[C@@H]1C[C@@H](NC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C[N@@H+]1C1CC1 ZINC000756952439 736376053 /nfs/dbraw/zinc/37/60/53/736376053.db2.gz SUAXAALEMUZGQS-ZYHUDNBSSA-N 1 0 352.822 2.673 20 5 FFBDRO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000906617309 736525065 /nfs/dbraw/zinc/52/50/65/736525065.db2.gz PROWZXZDMQNYHU-AWEZNQCLSA-N 1 0 351.834 2.781 20 5 FFBDRO C[C@@H]1CN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC[C@H]1[NH+]1CCN(C)CC1 ZINC000764477790 737022262 /nfs/dbraw/zinc/02/22/62/737022262.db2.gz FWZRXOOZGRTMPH-RHSMWYFYSA-N 1 0 366.893 2.706 20 5 FFBDRO O=C(NCc1cc([N+](=O)[O-])c(F)cc1F)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000911476063 737203476 /nfs/dbraw/zinc/20/34/76/737203476.db2.gz MDVDEHIPTMNRDZ-HNNXBMFYSA-N 1 0 353.369 2.896 20 5 FFBDRO CN(Cc1ccc(C[NH+](C)C)cc1)S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768832762 737463410 /nfs/dbraw/zinc/46/34/10/737463410.db2.gz FRPYGLKDEXEOES-UHFFFAOYSA-N 1 0 369.468 2.539 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C1CC(NC(=O)OC(C)(C)C)C1 ZINC000809616482 741322322 /nfs/dbraw/zinc/32/23/22/741322322.db2.gz PGJMDYZTMRXUDP-UHFFFAOYSA-N 1 0 351.403 2.749 20 5 FFBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@H]1CCCC[C@H]1N1CCOCC1 ZINC000769802951 737568353 /nfs/dbraw/zinc/56/83/53/737568353.db2.gz XJANLXFJBJVWNM-DOTOQJQBSA-N 1 0 353.850 2.981 20 5 FFBDRO C[C@@H]1CCC[N@@H+]1CCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000770295608 737613348 /nfs/dbraw/zinc/61/33/48/737613348.db2.gz ATOLAICYPQGGOC-SNVBAGLBSA-N 1 0 356.220 2.571 20 5 FFBDRO CC(C)[NH+]1CCC(N2CCN(c3ccc([N+](=O)[O-])cc3F)CC2)CC1 ZINC000771187243 737704046 /nfs/dbraw/zinc/70/40/46/737704046.db2.gz CONDJSPZTZWDLD-UHFFFAOYSA-N 1 0 350.438 2.729 20 5 FFBDRO COC(=O)C(C)(C)[C@H]1CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000772374292 737806956 /nfs/dbraw/zinc/80/69/56/737806956.db2.gz MNQKSTUPOHHRAD-GOEBONIOSA-N 1 0 350.415 2.539 20 5 FFBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=S)NC1CC[NH+](C)CC1 ZINC000920306718 737899269 /nfs/dbraw/zinc/89/92/69/737899269.db2.gz LDLCHELHHVVXDV-UHFFFAOYSA-N 1 0 356.879 2.649 20 5 FFBDRO CC(C)C[NH+]1CCN(Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)CC1 ZINC000774634387 738007397 /nfs/dbraw/zinc/00/73/97/738007397.db2.gz GZCQFBOLGJTKIU-UHFFFAOYSA-N 1 0 351.838 2.829 20 5 FFBDRO O=[N+]([O-])c1ccc(I)c(OCC[C@H]2CC[NH2+]C2)c1 ZINC000818619672 742284561 /nfs/dbraw/zinc/28/45/61/742284561.db2.gz ISUHTEGRIVWKCF-SECBINFHSA-N 1 0 362.167 2.578 20 5 FFBDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1c1nc2ccc([N+](=O)[O-])cc2s1 ZINC000784648036 738910112 /nfs/dbraw/zinc/91/01/12/738910112.db2.gz VRVZYPPNFYDFQO-LBPRGKRZSA-N 1 0 362.455 2.894 20 5 FFBDRO CC(C)([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C1CCOCC1 ZINC000786171349 739030928 /nfs/dbraw/zinc/03/09/28/739030928.db2.gz YPLDBAJEGMPPHX-UHFFFAOYSA-N 1 0 353.394 2.857 20 5 FFBDRO CC(C)[NH+]1CCN(CCCOC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000787598552 739149913 /nfs/dbraw/zinc/14/99/13/739149913.db2.gz OGHOVVVLMHIABZ-UHFFFAOYSA-N 1 0 369.849 2.821 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000930882471 739177348 /nfs/dbraw/zinc/17/73/48/739177348.db2.gz LIWPNZKIHOQQQN-HUUCEWRRSA-N 1 0 350.444 2.605 20 5 FFBDRO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000931650935 739303786 /nfs/dbraw/zinc/30/37/86/739303786.db2.gz DIDSFOQRUBRZOF-CYBMUJFWSA-N 1 0 351.834 2.878 20 5 FFBDRO COc1ccc(C[NH2+]C/C=C\CNC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000789864654 739392170 /nfs/dbraw/zinc/39/21/70/739392170.db2.gz XPDMJWLEZWBNHN-WAYWQWQTSA-N 1 0 351.403 2.774 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1OS(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000790006687 739405334 /nfs/dbraw/zinc/40/53/34/739405334.db2.gz FYLZXKCXRJAXJX-UHFFFAOYSA-N 1 0 350.396 2.733 20 5 FFBDRO CC(C)(C)OC(=O)NCC[C@@H]1CC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000932698348 739496721 /nfs/dbraw/zinc/49/67/21/739496721.db2.gz SUTKLNZADUEOQA-CYBMUJFWSA-N 1 0 350.419 2.727 20 5 FFBDRO C[NH+](C)CCC1CCN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000932719742 739502906 /nfs/dbraw/zinc/50/29/06/739502906.db2.gz OUSNFNFHKRTSLS-UHFFFAOYSA-N 1 0 351.422 2.857 20 5 FFBDRO COc1ccc(NC(=O)CN2CCCSC[C@@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000933915581 739704426 /nfs/dbraw/zinc/70/44/26/739704426.db2.gz YECNSCBBXXVSAI-MRXNPFEDSA-N 1 0 365.455 2.759 20 5 FFBDRO Cn1cc([C@@H]2CSCCC[N@@H+]2C[C@@H](O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000933976755 739713559 /nfs/dbraw/zinc/71/35/59/739713559.db2.gz UTIIHEBBAAVLTO-DLBZAZTESA-N 1 0 362.455 2.542 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCSC[C@@H]1C ZINC000934301267 739762901 /nfs/dbraw/zinc/76/29/01/739762901.db2.gz SMROUBHAYLGOKF-LBPRGKRZSA-N 1 0 353.444 2.759 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCSC[C@H]1C ZINC000934301827 739763267 /nfs/dbraw/zinc/76/32/67/739763267.db2.gz UJPHHJREDRTFGV-GFCCVEGCSA-N 1 0 353.444 2.759 20 5 FFBDRO O=C(C[NH2+][C@H]1CCOC12CCCC2)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000934393343 739780505 /nfs/dbraw/zinc/78/05/05/739780505.db2.gz SURFNLZOJFZUGY-AWEZNQCLSA-N 1 0 353.806 2.878 20 5 FFBDRO O=C(COc1cc(F)c([N+](=O)[O-])cc1Cl)NC1CC[NH+](C2CC2)CC1 ZINC000795246577 739989300 /nfs/dbraw/zinc/98/93/00/739989300.db2.gz LFAYUILMRPPFPC-UHFFFAOYSA-N 1 0 371.796 2.509 20 5 FFBDRO C[C@H]1C[C@@H](N2CCOCC2)CN1c1cc(Br)ccc1[N+](=O)[O-] ZINC000804809128 740906387 /nfs/dbraw/zinc/90/63/87/740906387.db2.gz PALNAEMATFINLZ-WCQYABFASA-N 1 0 370.247 2.657 20 5 FFBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1CN1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000809943229 741364374 /nfs/dbraw/zinc/36/43/74/741364374.db2.gz ZIIBLBVVNGVACT-GJZGRUSLSA-N 1 0 374.268 2.933 20 5 FFBDRO CCOc1cc(CON=C(N)C[N@@H+]2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000809996148 741371346 /nfs/dbraw/zinc/37/13/46/741371346.db2.gz UTWRFFGQQABZRA-ZDUSSCGKSA-N 1 0 350.419 2.866 20 5 FFBDRO CSC1(CNC(=S)Nc2ccc([N+](=O)[O-])cc2)CC[NH+](C)CC1 ZINC000811710238 741550877 /nfs/dbraw/zinc/55/08/77/741550877.db2.gz BQNSGBHRUFZKAU-UHFFFAOYSA-N 1 0 354.501 2.709 20 5 FFBDRO CC[C@@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)NC(=O)OC(C)(C)C ZINC000819340922 742378418 /nfs/dbraw/zinc/37/84/18/742378418.db2.gz AUKXPTZJXJNUJZ-DZGCQCFKSA-N 1 0 353.419 2.521 20 5 FFBDRO CC(C)(CCC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)[N+](=O)[O-] ZINC000822614523 742759514 /nfs/dbraw/zinc/75/95/14/742759514.db2.gz WPBXUAPSKQACGN-UHFFFAOYSA-N 1 0 351.422 2.742 20 5 FFBDRO CC[N@H+](CCNC(=O)Nc1ccc(N)c([N+](=O)[O-])c1)CCC(F)(F)F ZINC000823957367 743003437 /nfs/dbraw/zinc/00/34/37/743003437.db2.gz YGEXCRDVYTYSDT-UHFFFAOYSA-N 1 0 363.340 2.573 20 5 FFBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3c(Br)cccc3[N+](=O)[O-])CC[C@@H]21 ZINC000827216707 743535460 /nfs/dbraw/zinc/53/54/60/743535460.db2.gz CNUKZOBDCKAFTH-PWSUYJOCSA-N 1 0 368.231 2.524 20 5 FFBDRO C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H](CO)c1ccc(Cl)cc1 ZINC000830896421 745447728 /nfs/dbraw/zinc/44/77/28/745447728.db2.gz DVMOFXQZDNWAPO-IRXDYDNUSA-N 1 0 350.802 2.947 20 5 FFBDRO C[N@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](CO)CC(C)(C)C ZINC000832094626 745635402 /nfs/dbraw/zinc/63/54/02/745635402.db2.gz RSKYVHWXFGAINU-GFCCVEGCSA-N 1 0 357.838 2.916 20 5 FFBDRO CC[C@H]1CN(C)CCN1C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000839392879 746821228 /nfs/dbraw/zinc/82/12/28/746821228.db2.gz RQGACCBKJPLJBN-JTQLQIEISA-N 1 0 356.220 2.524 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000839502880 746842111 /nfs/dbraw/zinc/84/21/11/746842111.db2.gz IEDPIEAYSRRDAM-JSGCOSHPSA-N 1 0 368.865 2.991 20 5 FFBDRO NC(=O)[C@@]1(c2ccccc2)CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000839640391 746878970 /nfs/dbraw/zinc/87/89/70/746878970.db2.gz KWAIYXYYHZBVAR-SFHVURJKSA-N 1 0 359.813 2.877 20 5 FFBDRO CCC[N@H+](C)CC(=O)N[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC000839864103 746946247 /nfs/dbraw/zinc/94/62/47/746946247.db2.gz NLEDZLRIGWQMMX-ZDUSSCGKSA-N 1 0 351.300 2.795 20 5 FFBDRO C[NH2+]CCC1CCN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000841857027 747477192 /nfs/dbraw/zinc/47/71/92/747477192.db2.gz WFYIZYVKOVTTEZ-UHFFFAOYSA-N 1 0 354.838 2.779 20 5 FFBDRO O=[N+]([O-])c1cc(F)cc(-c2nc([C@H]3CCC[NH2+]3)no2)c1Br ZINC000842644620 747647088 /nfs/dbraw/zinc/64/70/88/747647088.db2.gz SFYWZLZOCPKZJZ-MRVPVSSYSA-N 1 0 357.139 2.971 20 5 FFBDRO CC1(C)Oc2ccsc2[C@@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H]1O ZINC000843117169 747775647 /nfs/dbraw/zinc/77/56/47/747775647.db2.gz WMRVLAVVGXCHPX-BJJXKVORSA-N 1 0 364.423 2.553 20 5 FFBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000843367809 747818687 /nfs/dbraw/zinc/81/86/87/747818687.db2.gz HWNZXKUQKNGAAK-MPXAEWJHSA-N 1 0 366.849 2.634 20 5 FFBDRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(C(=O)c3cc(Cl)ccc3[N+](=O)[O-])C2)C1 ZINC000846691974 748524847 /nfs/dbraw/zinc/52/48/47/748524847.db2.gz ZEXFRRDLTAPYHZ-AXAPSJFSSA-N 1 0 367.833 2.607 20 5 FFBDRO C[C@H](CCNc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-])[NH+](C)C ZINC000853798173 750167394 /nfs/dbraw/zinc/16/73/94/750167394.db2.gz DARIVURNROHKDU-SECBINFHSA-N 1 0 369.365 2.640 20 5 FFBDRO C[C@@H](C[N@H+](C)Cc1ccccc1)Nc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000824414157 946697169 /nfs/dbraw/zinc/69/71/69/946697169.db2.gz VSSWUCYRHBDOIY-ZDUSSCGKSA-N 1 0 367.413 2.707 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@@H]3CC[C@H](C(F)(F)F)O3)CC2)cn1 ZINC000896279686 971394962 /nfs/dbraw/zinc/39/49/62/971394962.db2.gz FCYSIUKENMZNHI-UONOGXRCSA-N 1 0 374.363 2.658 20 5 FFBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)C1 ZINC000896755314 971692686 /nfs/dbraw/zinc/69/26/86/971692686.db2.gz KGMPQEZFBMSPON-CYBMUJFWSA-N 1 0 356.426 2.744 20 5 FFBDRO O=C1CN(C[N@@H+]2CC[C@@H]3CCCC[C@H]3C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC001116021082 1032067890 /nfs/dbraw/zinc/06/78/90/1032067890.db2.gz DVHQUJRJOCXELA-GJZGRUSLSA-N 1 0 372.425 2.833 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC(C)([NH+]3CCCCC3)CC2)n1 ZINC000872664875 1013245180 /nfs/dbraw/zinc/24/51/80/1013245180.db2.gz VLULZQWVJDBRTR-UHFFFAOYSA-N 1 0 362.430 2.621 20 5 FFBDRO [NH3+]CC1(N(Cc2ccccc2)c2ccnc3c2cccc3[N+](=O)[O-])COC1 ZINC001167378081 962521918 /nfs/dbraw/zinc/52/19/18/962521918.db2.gz AQEZSJPUGVVGHM-UHFFFAOYSA-N 1 0 364.405 2.877 20 5 FFBDRO CN(C(=O)CC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000135194307 963823033 /nfs/dbraw/zinc/82/30/33/963823033.db2.gz FFLZTWXYFUHBGU-HNNXBMFYSA-N 1 0 369.425 2.529 20 5 FFBDRO Cc1ccc2ccccc2c1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001022064174 964196237 /nfs/dbraw/zinc/19/62/37/964196237.db2.gz ZIMKSCAKHFJDAE-LORHWOILSA-N 1 0 353.422 2.550 20 5 FFBDRO CN(Cc1ccoc1)C(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000934044276 965543474 /nfs/dbraw/zinc/54/34/74/965543474.db2.gz SREQBICEKFSYAU-UHFFFAOYSA-N 1 0 373.413 2.604 20 5 FFBDRO CC(C)[C@H](C)N(C)C(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000934044185 965543755 /nfs/dbraw/zinc/54/37/55/965543755.db2.gz QUMXXQBJSJDBPW-AWEZNQCLSA-N 1 0 363.462 2.855 20 5 FFBDRO C[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1cnn(CC2CCC2)c1 ZINC001176849390 1013795257 /nfs/dbraw/zinc/79/52/57/1013795257.db2.gz MYPZOLWZGSFRJA-YOEHRIQHSA-N 1 0 374.441 2.682 20 5 FFBDRO C[N@H+](CCNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)Cc1ccc(F)cc1 ZINC000255771315 968859044 /nfs/dbraw/zinc/85/90/44/968859044.db2.gz KDPZBZKNKBURSI-WDZFZDKYSA-N 1 0 357.385 2.995 20 5 FFBDRO Cn1c2ccccc2c(N2CCC[N@@H+](C3CCCC3)CC2)c([N+](=O)[O-])c1=O ZINC000892621069 969622804 /nfs/dbraw/zinc/62/28/04/969622804.db2.gz DMIWOGQVNRDBMI-UHFFFAOYSA-N 1 0 370.453 2.901 20 5 FFBDRO C[C@H]1CC[C@H](Oc2ccc(I)c([N+](=O)[O-])c2)C[NH2+]1 ZINC001218397593 969988604 /nfs/dbraw/zinc/98/86/04/969988604.db2.gz FDCYHSBAEZUBIQ-WPRPVWTQSA-N 1 0 362.167 2.719 20 5 FFBDRO Cc1cc(N2CCC[C@H](OC(=O)c3ccccc3[N+](=O)[O-])C2)nc(C)n1 ZINC000066730871 970100196 /nfs/dbraw/zinc/10/01/96/970100196.db2.gz ANKIFNZLCAMAGV-AWEZNQCLSA-N 1 0 356.382 2.827 20 5 FFBDRO C[C@H]1C[NH2+]CC[C@@H]1Oc1ccc([N+](=O)[O-])cc1I ZINC001218421542 970102231 /nfs/dbraw/zinc/10/22/31/970102231.db2.gz XUVMGFHFVBFVJR-KWQFWETISA-N 1 0 362.167 2.576 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N(CC[NH+](C)C)Cc2ccccc2F)n1 ZINC001125865690 970761322 /nfs/dbraw/zinc/76/13/22/970761322.db2.gz UDOVHKCVJHWUQJ-UHFFFAOYSA-N 1 0 360.389 2.641 20 5 FFBDRO CCOc1ccc(C(=O)N2CCN(c3cc[nH+]cc3)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000893447498 974073232 /nfs/dbraw/zinc/07/32/32/974073232.db2.gz GQGFLBFPQVHOFW-AWEZNQCLSA-N 1 0 370.409 2.739 20 5 FFBDRO CC[NH+]1CCN(c2cc(N(C)C(=O)c3cocc3C)cc([N+](=O)[O-])c2)CC1 ZINC000876228370 1014187488 /nfs/dbraw/zinc/18/74/88/1014187488.db2.gz OHUUAAYKMWABBY-UHFFFAOYSA-N 1 0 372.425 2.915 20 5 FFBDRO O=C(/C=C/[C@@H]1CCC[NH2+]C1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000876681241 1014350423 /nfs/dbraw/zinc/35/04/23/1014350423.db2.gz NPQKZQIXAWLLTC-GZTQLTBSSA-N 1 0 359.426 2.520 20 5 FFBDRO CN1Cc2ccccc2[C@H]1CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC001152052737 1032091168 /nfs/dbraw/zinc/09/11/68/1032091168.db2.gz IGGQYOHXPDHWHK-GOSISDBHSA-N 1 0 350.378 2.993 20 5 FFBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1c1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC000893859634 977569984 /nfs/dbraw/zinc/56/99/84/977569984.db2.gz MGXWVJUDJFINEY-HIFRSBDPSA-N 1 0 356.426 2.510 20 5 FFBDRO COc1cc(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)ccc1OC(F)F ZINC000876897634 1014413990 /nfs/dbraw/zinc/41/39/90/1014413990.db2.gz KVGHSHYEYMXYAO-UHFFFAOYSA-N 1 0 368.340 2.895 20 5 FFBDRO CC[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)N1CCCC1 ZINC000261701527 977677617 /nfs/dbraw/zinc/67/76/17/977677617.db2.gz TYXKAJKRJFJRRE-QGZVFWFLSA-N 1 0 357.458 2.959 20 5 FFBDRO Cc1ncc2c(n1)CCC[C@H]2[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000877031970 1014456813 /nfs/dbraw/zinc/45/68/13/1014456813.db2.gz DMIIATFVGFWIJI-GOSISDBHSA-N 1 0 368.441 2.724 20 5 FFBDRO COc1c(F)cc(N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC001167943694 978430324 /nfs/dbraw/zinc/43/03/24/978430324.db2.gz QXWOHQPSYJETFJ-ZDUSSCGKSA-N 1 0 371.409 2.994 20 5 FFBDRO C[C@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877374954 1014566549 /nfs/dbraw/zinc/56/65/49/1014566549.db2.gz MBGIAZLCAAYASS-RFXRWBHQSA-N 1 0 355.442 2.605 20 5 FFBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N[C@@H]1CCCCC12CC[NH2+]CC2 ZINC000877402714 1014574734 /nfs/dbraw/zinc/57/47/34/1014574734.db2.gz GBKXRYNJDKQEFX-MRXNPFEDSA-N 1 0 365.405 2.541 20 5 FFBDRO C[C@](CO)([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C1CCCCC1 ZINC000128697702 979639594 /nfs/dbraw/zinc/63/95/94/979639594.db2.gz QEQHEKPXKBKFPJ-GOSISDBHSA-N 1 0 367.421 2.983 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CC[C@H](O)c3ccccc3)CC2)cn1 ZINC000877528260 1014613291 /nfs/dbraw/zinc/61/32/91/1014613291.db2.gz WNGJSJCJZMVGPP-SFHVURJKSA-N 1 0 356.426 2.672 20 5 FFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CCc3cccc4c3OC(F)(F)O4)C2)c1 ZINC000877650480 1014662548 /nfs/dbraw/zinc/66/25/48/1014662548.db2.gz BZJADUNFLLMCFN-UHFFFAOYSA-N 1 0 366.324 2.649 20 5 FFBDRO CC[NH+]1CCN(c2cc(N(C)C(=O)c3[nH]ccc3C)cc([N+](=O)[O-])c2)CC1 ZINC000906096435 980571358 /nfs/dbraw/zinc/57/13/58/980571358.db2.gz CRABBVDEWNTQSE-UHFFFAOYSA-N 1 0 371.441 2.650 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H](CC[NH+](C)C)c2cccnc2)c1F ZINC000906285183 980614686 /nfs/dbraw/zinc/61/46/86/980614686.db2.gz SECJORPKFBYDGR-INIZCTEOSA-N 1 0 360.389 2.860 20 5 FFBDRO O=C([C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000906637059 981107175 /nfs/dbraw/zinc/10/71/75/981107175.db2.gz XVLSOHZMIRMXND-QXAKKESOSA-N 1 0 357.454 2.937 20 5 FFBDRO Cc1c(Cl)nc(-c2ccc([N+](=O)[O-])cc2)nc1N[C@H]1C[NH2+]CC[C@H]1F ZINC001168227450 981122799 /nfs/dbraw/zinc/12/27/99/981122799.db2.gz TUZGXYQQWDWBBC-OLZOCXBDSA-N 1 0 365.796 2.547 20 5 FFBDRO Cn1ccnc1[C@H](NC[C@H]1CC[C@@H](C2CC2)O1)c1cccc([N+](=O)[O-])c1 ZINC000897509979 981374200 /nfs/dbraw/zinc/37/42/00/981374200.db2.gz HXCYMOSEOGPSOU-FGTMMUONSA-N 1 0 356.426 2.965 20 5 FFBDRO CC(C)c1ccc(C[NH+]2CCC(CN3CCNC3=O)CC2)cc1[N+](=O)[O-] ZINC000897582233 982330481 /nfs/dbraw/zinc/33/04/81/982330481.db2.gz QATYQNBAOLJOCW-UHFFFAOYSA-N 1 0 360.458 2.955 20 5 FFBDRO COc1cc(C(=O)Nc2c[nH+]ccc2-n2ccnc2C)ccc1[N+](=O)[O-] ZINC001116070829 1032108205 /nfs/dbraw/zinc/10/82/05/1032108205.db2.gz FOYBOSGJXFXTMD-UHFFFAOYSA-N 1 0 353.338 2.745 20 5 FFBDRO COC(=O)c1cc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)ccc1C ZINC000878524483 1015085505 /nfs/dbraw/zinc/08/55/05/1015085505.db2.gz QJJMVQTXSROMIZ-UHFFFAOYSA-N 1 0 358.398 2.723 20 5 FFBDRO O=C(NCc1ccc(-n2ccnc2)cc1)NCc1cccc([N+](=O)[O-])c1 ZINC000171199891 985236226 /nfs/dbraw/zinc/23/62/26/985236226.db2.gz JDEMBRILUNPQFI-UHFFFAOYSA-N 1 0 351.366 2.780 20 5 FFBDRO Nc1ccc(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000063081446 985712746 /nfs/dbraw/zinc/71/27/46/985712746.db2.gz VRPSCQVINXBYJP-UHFFFAOYSA-N 1 0 368.437 2.819 20 5 FFBDRO CC[N@H+](CCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC001212400400 986103310 /nfs/dbraw/zinc/10/33/10/986103310.db2.gz VGHCAFNOTMJPKO-UHFFFAOYSA-N 1 0 369.487 2.918 20 5 FFBDRO C[C@@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)N1CCc2ccccc2C1 ZINC000130265038 987543807 /nfs/dbraw/zinc/54/38/07/987543807.db2.gz HKDGGEPKQMALPD-HNNXBMFYSA-N 1 0 365.433 2.926 20 5 FFBDRO [NH3+]CCc1nc(-c2ccccc2)nn1-c1ccc2cc([N+](=O)[O-])ccc2n1 ZINC001168707877 987964088 /nfs/dbraw/zinc/96/40/88/987964088.db2.gz TUSVWKAPEVMCFE-UHFFFAOYSA-N 1 0 360.377 2.892 20 5 FFBDRO C[C@H]1CC2(CCC2)C[N@@H+]1CN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000762147244 988154721 /nfs/dbraw/zinc/15/47/21/988154721.db2.gz XXBMDPXQKYFKLW-UGSOOPFHSA-N 1 0 372.425 2.584 20 5 FFBDRO CN(c1ccccc1)c1ccc(C[NH2+]CC[C@@H]2CNC(=O)C2)cc1[N+](=O)[O-] ZINC000922785089 988903775 /nfs/dbraw/zinc/90/37/75/988903775.db2.gz QHQVFRQNMQXUFX-INIZCTEOSA-N 1 0 368.437 2.979 20 5 FFBDRO CC(C)(C)[NH+]1CCC(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC1 ZINC000194331051 989209316 /nfs/dbraw/zinc/20/93/16/989209316.db2.gz NLNMGOKVDKIQNK-UHFFFAOYSA-N 1 0 371.441 2.773 20 5 FFBDRO O=[N+]([O-])c1ccc(NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000702628440 990010615 /nfs/dbraw/zinc/01/06/15/990010615.db2.gz LSRAFPLWVSKGCM-SFHVURJKSA-N 1 0 372.381 2.552 20 5 FFBDRO O=[N+]([O-])c1ccc(OCCCN2CCC[N@H+](C[C@H]3CCCO3)CC2)cc1 ZINC000918021446 990318641 /nfs/dbraw/zinc/31/86/41/990318641.db2.gz ILVNYUHHVFBZMW-LJQANCHMSA-N 1 0 363.458 2.550 20 5 FFBDRO CCC(CC)[N@H+](CN1C(=O)N[C@](C)(c2ccc([N+](=O)[O-])cc2)C1=O)C1CC1 ZINC000918179377 990351542 /nfs/dbraw/zinc/35/15/42/990351542.db2.gz OWFAQEKREZDJSV-LJQANCHMSA-N 1 0 374.441 2.972 20 5 FFBDRO Cc1ccc(C[N@@H+]2CCC3(C2)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC3)cc1C ZINC001035186966 990410063 /nfs/dbraw/zinc/41/00/63/990410063.db2.gz NWTNXQOQTAXZFR-RTBURBONSA-N 1 0 371.481 2.783 20 5 FFBDRO Cn1nnc2c1C[C@@H]([NH2+]Cc1ccc(-c3ccccc3[N+](=O)[O-])o1)CC2 ZINC000922994479 990784567 /nfs/dbraw/zinc/78/45/67/990784567.db2.gz UTWGOJUWNVHZKS-LBPRGKRZSA-N 1 0 353.382 2.630 20 5 FFBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879575102 1015591913 /nfs/dbraw/zinc/59/19/13/1015591913.db2.gz GONKOHABASDEKG-INWMFGNUSA-N 1 0 357.414 2.732 20 5 FFBDRO CC1(C)Nc2ccccc2[C@H]1[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000923425103 991134691 /nfs/dbraw/zinc/13/46/91/991134691.db2.gz FGXVBQPMEHBCTG-SCLBCKFNSA-N 1 0 357.410 2.870 20 5 FFBDRO COc1cccc([C@H](CNC(=O)c2cc(C)cc([N+](=O)[O-])c2N)[NH+](C)C)c1 ZINC000068510061 991455026 /nfs/dbraw/zinc/45/50/26/991455026.db2.gz ATURJVUIUAFFBT-KRWDZBQOSA-N 1 0 372.425 2.527 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180417474 991494047 /nfs/dbraw/zinc/49/40/47/991494047.db2.gz LADGSIVXLQTJQY-NSHDSACASA-N 1 0 374.353 2.801 20 5 FFBDRO O=C(C[NH2+]C1([C@@H]2CCCCO2)CCC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000879733641 1015657852 /nfs/dbraw/zinc/65/78/52/1015657852.db2.gz BASZZQYUBAWYGT-KRWDZBQOSA-N 1 0 359.426 2.565 20 5 FFBDRO Cc1c([N+](=O)[O-])cc(C(=O)NCC[N@@H+](C)C2CCCCC2)cc1[N+](=O)[O-] ZINC000070828024 992315395 /nfs/dbraw/zinc/31/53/95/992315395.db2.gz FTLYGIIUQVPTRJ-UHFFFAOYSA-N 1 0 364.402 2.806 20 5 FFBDRO C[C@@H]1CN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CCN1c1cc[nH+]cc1 ZINC000880261997 1015792577 /nfs/dbraw/zinc/79/25/77/1015792577.db2.gz QSUCSINKQCCFMZ-CQSZACIVSA-N 1 0 370.409 2.567 20 5 FFBDRO NC(=O)c1ccc(C[N@@H+]2CCCC[C@@H](C3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000880576017 1015877242 /nfs/dbraw/zinc/87/72/42/1015877242.db2.gz NOQFEIROKYOSLA-MRXNPFEDSA-N 1 0 361.442 2.722 20 5 FFBDRO Cc1cc(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000810323989 994755682 /nfs/dbraw/zinc/75/56/82/994755682.db2.gz ALHMXRGKFIXOLN-KBPBESRZSA-N 1 0 357.414 2.758 20 5 FFBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000811600309 995192155 /nfs/dbraw/zinc/19/21/55/995192155.db2.gz HQXLTBWOPDYMSF-LLVKDONJSA-N 1 0 366.418 2.970 20 5 FFBDRO COC(=O)c1ncc([N+](=O)[O-])cc1-n1c(-c2ccccc2)cnc1[C@H](C)[NH3+] ZINC001170688114 995550172 /nfs/dbraw/zinc/55/01/72/995550172.db2.gz SYYDOXWZFOKQSA-NSHDSACASA-N 1 0 367.365 2.649 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2ncn(C[N@@H+]3CCC[C@H]([C@@H]4CCOC4)C3)n2)c1 ZINC000747823589 995552395 /nfs/dbraw/zinc/55/23/95/995552395.db2.gz HEYTZARVOLHIPZ-JKSUJKDBSA-N 1 0 357.414 2.559 20 5 FFBDRO COC(=O)Cc1ccc(N2CC[NH+](Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000827261690 1016061368 /nfs/dbraw/zinc/06/13/68/1016061368.db2.gz LVMKXLRUFSWVMO-UHFFFAOYSA-N 1 0 369.421 2.633 20 5 FFBDRO CC(C)[C@@H](CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)[NH+]1CCC(C)CC1 ZINC000824982631 997170069 /nfs/dbraw/zinc/17/00/69/997170069.db2.gz JJLCZPJMWBVTLS-MSOLQXFVSA-N 1 0 363.458 2.501 20 5 FFBDRO COc1cc(Cc2noc([C@@H]3CC[C@H](C4CC4)[NH2+]3)n2)c([N+](=O)[O-])c(OC)c1 ZINC000844918491 998229526 /nfs/dbraw/zinc/22/95/26/998229526.db2.gz VGDAYKPAYPURLK-KGLIPLIRSA-N 1 0 374.397 2.789 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@@H]1COC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000845735487 998642015 /nfs/dbraw/zinc/64/20/15/998642015.db2.gz NFDVLYCYIMPAQG-OAHLLOKOSA-N 1 0 358.398 2.810 20 5 FFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1c1nc2ccccn2c1[N+](=O)[O-] ZINC000733191043 998917202 /nfs/dbraw/zinc/91/72/02/998917202.db2.gz NGBZDNQGLXZGRK-OAHLLOKOSA-N 1 0 351.410 2.953 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])c(Cl)cc1N(CC[NH3+])c1cccnc1 ZINC001168838803 1000000977 /nfs/dbraw/zinc/00/09/77/1000000977.db2.gz OOOCEYPYHBTBQL-UHFFFAOYSA-N 1 0 350.762 2.527 20 5 FFBDRO COCCO[C@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC001168948538 1000011108 /nfs/dbraw/zinc/01/11/08/1000011108.db2.gz FEFDXDYCSOQECF-AWEZNQCLSA-N 1 0 373.247 2.985 20 5 FFBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C2CCN(c3ncnc4ccccc43)CC2)C1 ZINC001168977065 1000012098 /nfs/dbraw/zinc/01/20/98/1000012098.db2.gz HNYVAINZSYDRKN-GDBMZVCRSA-N 1 0 355.442 2.634 20 5 FFBDRO CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]([NH2+][C@@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@@H]2C1 ZINC001168965049 1000013190 /nfs/dbraw/zinc/01/31/90/1000013190.db2.gz XPMQAGBCWOINFC-AALSBFMBSA-N 1 0 353.463 2.667 20 5 FFBDRO CC(C)(C)OC(=O)N1CCC2(CC([NH2+][C@H]3CC[C@H](C[N+](=O)[O-])C3)C2)C1 ZINC001168964967 1000013230 /nfs/dbraw/zinc/01/32/30/1000013230.db2.gz WVSDHPYWXUBJAY-KZGGZSBBSA-N 1 0 353.463 2.811 20 5 FFBDRO CC(C)(C)OC(=O)N1CCC2(CC([NH2+][C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)C1 ZINC001168964968 1000013289 /nfs/dbraw/zinc/01/32/89/1000013289.db2.gz WVSDHPYWXUBJAY-VBCSKYIJSA-N 1 0 353.463 2.811 20 5 FFBDRO CC(C)(C)OC(=O)Nc1cc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)ccn1 ZINC001168969031 1000013327 /nfs/dbraw/zinc/01/33/27/1000013327.db2.gz BNZDAKMLICURRB-KBPBESRZSA-N 1 0 350.419 2.964 20 5 FFBDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)C(F)(F)C1 ZINC001168969040 1000013549 /nfs/dbraw/zinc/01/35/49/1000013549.db2.gz BQLZMMSAHJIAGZ-AVGNSLFASA-N 1 0 363.405 2.666 20 5 FFBDRO [NH3+]CCCc1nc2ccc(Cl)cc2n1-c1ncnc2[nH]cc([N+](=O)[O-])c21 ZINC001168994985 1000014049 /nfs/dbraw/zinc/01/40/49/1000014049.db2.gz GMECOBWKFTYQIE-UHFFFAOYSA-N 1 0 371.788 2.750 20 5 FFBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]C2CCN(Cc3c(F)cccc3F)CC2)C1 ZINC001168997424 1000014232 /nfs/dbraw/zinc/01/42/32/1000014232.db2.gz ZCLSUWRSTDPSHE-ZFWWWQNUSA-N 1 0 353.413 2.964 20 5 FFBDRO O=C(N[C@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1)c1ccccc1F ZINC001168997764 1000014238 /nfs/dbraw/zinc/01/42/38/1000014238.db2.gz FPDBPHAIKBKAAA-KLHDSHLOSA-N 1 0 363.433 2.902 20 5 FFBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C2CCN(Cc3ccc(F)c(F)c3)CC2)C1 ZINC001168997248 1000014248 /nfs/dbraw/zinc/01/42/48/1000014248.db2.gz YFECPRWTUVNKHF-CZUORRHYSA-N 1 0 353.413 2.964 20 5 FFBDRO COc1ccc(F)cc1CN1CCC([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168996019 1000014262 /nfs/dbraw/zinc/01/42/62/1000014262.db2.gz UBUNPGAMETUEGZ-KDOFPFPSSA-N 1 0 365.449 2.834 20 5 FFBDRO COc1cc(NC(=O)C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)cc2ccccc21 ZINC001169004960 1000015011 /nfs/dbraw/zinc/01/50/11/1000015011.db2.gz SROGNQZGEPBUEQ-ZFWWWQNUSA-N 1 0 357.410 2.822 20 5 FFBDRO O=C1OC[C@@H]2[C@H]([N@@H+](Cc3ccccc3)[C@H]3CC[C@H](C[N+](=O)[O-])C3)CCCN12 ZINC001169038578 1000016897 /nfs/dbraw/zinc/01/68/97/1000016897.db2.gz ZTBKLFBDOODUJR-INDMIFKZSA-N 1 0 373.453 2.917 20 5 FFBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@H](Oc3cc(C(F)(F)F)ncn3)C2)C1 ZINC001169053587 1000019062 /nfs/dbraw/zinc/01/90/62/1000019062.db2.gz JCZJIHQAQVXYIL-JHJVBQTASA-N 1 0 374.363 2.784 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])cc(N[C@@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)n1 ZINC001169143244 1000027312 /nfs/dbraw/zinc/02/73/12/1000027312.db2.gz PAXOPQZDFMPRJL-PIGZYNQJSA-N 1 0 350.419 2.732 20 5 FFBDRO O=[N+]([O-])c1ccc(C(F)(F)F)cc1NCc1ncn2c1C[NH2+]CCC2 ZINC001169241998 1000034040 /nfs/dbraw/zinc/03/40/40/1000034040.db2.gz CHEAJYGTVBXZSK-UHFFFAOYSA-N 1 0 355.320 2.916 20 5 FFBDRO CC(C)[N@@H+]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 ZINC000769662106 1000572281 /nfs/dbraw/zinc/57/22/81/1000572281.db2.gz KGHZCFKENFNKSL-OAHLLOKOSA-N 1 0 360.458 2.798 20 5 FFBDRO C[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(N2CCNC2=O)cc1 ZINC000786832433 1001628948 /nfs/dbraw/zinc/62/89/48/1001628948.db2.gz PFVMLKNLJNLIEC-UGSOOPFHSA-N 1 0 370.409 2.509 20 5 FFBDRO CC(C)[NH+]1CCN(CCCOC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000787577717 1001699789 /nfs/dbraw/zinc/69/97/89/1001699789.db2.gz CZZRYHRGXZMLIP-TWGQIWQCSA-N 1 0 361.442 2.567 20 5 FFBDRO CCOc1cc([N+](=O)[O-])c(C(=O)O[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1OC ZINC000788113768 1001763681 /nfs/dbraw/zinc/76/36/81/1001763681.db2.gz BWRPFHAQPZZLTL-OLZOCXBDSA-N 1 0 364.398 2.786 20 5 FFBDRO COc1cccc([C@H](O)C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000788431350 1001798871 /nfs/dbraw/zinc/79/88/71/1001798871.db2.gz SZBQYXYIVKMGDJ-BRWVUGGUSA-N 1 0 360.414 2.607 20 5 FFBDRO C[C@H]([NH2+]CC1(N(C)C)Cc2ccccc2C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788608491 1001824475 /nfs/dbraw/zinc/82/44/75/1001824475.db2.gz GKRZHBSPYUMZKH-AWEZNQCLSA-N 1 0 354.454 2.927 20 5 FFBDRO Cc1c([N+](=O)[O-])cc(C(=O)NCC[N@@H+]2CCCC(C)(C)C2)cc1[N+](=O)[O-] ZINC000774579345 1002181383 /nfs/dbraw/zinc/18/13/83/1002181383.db2.gz YBUAGDAACWRFOP-UHFFFAOYSA-N 1 0 364.402 2.663 20 5 FFBDRO Cc1c([N+](=O)[O-])cc(C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)cc1[N+](=O)[O-] ZINC000791058120 1002563571 /nfs/dbraw/zinc/56/35/71/1002563571.db2.gz ARQYOVLDJWLOLX-OAHLLOKOSA-N 1 0 364.402 2.662 20 5 FFBDRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cn3)cc2)CC1 ZINC000774847875 1002882287 /nfs/dbraw/zinc/88/22/87/1002882287.db2.gz OSBLAGOGDAKDQR-UHFFFAOYSA-N 1 0 369.425 2.773 20 5 FFBDRO Cn1c(C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)ccc1[N+](=O)[O-] ZINC000774848565 1002899170 /nfs/dbraw/zinc/89/91/70/1002899170.db2.gz OYWXOKSFJMLLKN-UHFFFAOYSA-N 1 0 371.441 2.716 20 5 FFBDRO COc1ccc(C[C@@H](C)[NH2+]C[C@H](O)COc2ccccc2)c([N+](=O)[O-])c1 ZINC001170296746 1003090052 /nfs/dbraw/zinc/09/00/52/1003090052.db2.gz IADRYIAPMLOXNS-ZBFHGGJFSA-N 1 0 360.410 2.564 20 5 FFBDRO CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNc2ccc([N+](=O)[O-])cc2C(F)(F)F)O1 ZINC001170277843 1003096103 /nfs/dbraw/zinc/09/61/03/1003096103.db2.gz SMVYKZWUBMAATK-MGPQQGTHSA-N 1 0 363.336 2.750 20 5 FFBDRO COc1ccc(C[C@H](C)[NH2+][C@@H](C)[C@H](O)c2cccc(O)c2)c([N+](=O)[O-])c1 ZINC001170315289 1003104002 /nfs/dbraw/zinc/10/40/02/1003104002.db2.gz WPRIVSWXPSPOBS-JMERFSKESA-N 1 0 360.410 2.952 20 5 FFBDRO COc1ccc(C[C@@H](C)[NH2+][C@@H]2CCCC3(C2)OCCO3)c([N+](=O)[O-])c1 ZINC001170317772 1003108765 /nfs/dbraw/zinc/10/87/65/1003108765.db2.gz LHQXLAMGRTXSRF-UKRRQHHQSA-N 1 0 350.415 2.810 20 5 FFBDRO CCN(C(C)=O)C1CC[NH+]([C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC001170354177 1003121739 /nfs/dbraw/zinc/12/17/39/1003121739.db2.gz HZLYPOHPMCSJQM-CQSZACIVSA-N 1 0 363.458 2.867 20 5 FFBDRO COC(=O)[C@@]1(C)CCC[N@@H+]([C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170345851 1003131462 /nfs/dbraw/zinc/13/14/62/1003131462.db2.gz MZYFFZWUTCYGAL-ACJLOTCBSA-N 1 0 350.415 2.810 20 5 FFBDRO CC(C)(C)C(=O)N1CCC(CNc2cc3c(cc2[N+](=O)[O-])C[NH2+]C3)CC1 ZINC001170350685 1003135574 /nfs/dbraw/zinc/13/55/74/1003135574.db2.gz PPAIWTINYXFAFH-UHFFFAOYSA-N 1 0 360.458 2.895 20 5 FFBDRO C[N@@H+]1C[C@H]2CCN(c3ccc(C(=O)c4ccccc4)cc3[N+](=O)[O-])[C@H]2C1 ZINC001186571356 1003348533 /nfs/dbraw/zinc/34/85/33/1003348533.db2.gz IGQQDROIGDIOFU-APWZRJJASA-N 1 0 351.406 2.966 20 5 FFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](c2nnc(N)o2)C1 ZINC001196526349 1003808245 /nfs/dbraw/zinc/80/82/45/1003808245.db2.gz OTLZSZXOGCRGIG-GFCCVEGCSA-N 1 0 361.402 2.727 20 5 FFBDRO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000804812902 1003859951 /nfs/dbraw/zinc/85/99/51/1003859951.db2.gz MKQZDQKRGJVWIW-OCCSQVGLSA-N 1 0 365.405 2.974 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1C ZINC001191896784 1003993241 /nfs/dbraw/zinc/99/32/41/1003993241.db2.gz SPBXFBYRGGMJNH-HZPDHXFCSA-N 1 0 367.471 2.507 20 5 FFBDRO C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000747423197 1004684495 /nfs/dbraw/zinc/68/44/95/1004684495.db2.gz QHEJWFYYTCIDMW-ZAIQOQLCSA-N 1 0 373.453 2.708 20 5 FFBDRO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000747423194 1004684551 /nfs/dbraw/zinc/68/45/51/1004684551.db2.gz QHEJWFYYTCIDMW-GCTDCNCDSA-N 1 0 373.453 2.708 20 5 FFBDRO COc1ccc(NC(=O)CN2CCCC[C@@]23CCCOC3)c([N+](=O)[O-])c1 ZINC001198820300 1004749283 /nfs/dbraw/zinc/74/92/83/1004749283.db2.gz IXELBLDFGUFTTK-SFHVURJKSA-N 1 0 363.414 2.577 20 5 FFBDRO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776275134 1005342227 /nfs/dbraw/zinc/34/22/27/1005342227.db2.gz JJYJYYWHIXVVDU-IFXJQAMLSA-N 1 0 367.409 2.902 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000850434494 1005815466 /nfs/dbraw/zinc/81/54/66/1005815466.db2.gz UKQYXDDELKCIGT-RHSMWYFYSA-N 1 0 363.458 2.897 20 5 FFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@]12OCCC[C@H]1C2(F)F ZINC000850533512 1005820598 /nfs/dbraw/zinc/82/05/98/1005820598.db2.gz ANUJGVSPTUKYQS-XFJVYGCCSA-N 1 0 369.368 2.716 20 5 FFBDRO O=C1CCCN1C[C@@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000776605808 1006116315 /nfs/dbraw/zinc/11/63/15/1006116315.db2.gz ONZDHTGJMCQGKR-RTBURBONSA-N 1 0 369.421 2.582 20 5 FFBDRO [NH3+][C@@H]1CCc2ccccc2N(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000852755258 1006168466 /nfs/dbraw/zinc/16/84/66/1006168466.db2.gz JMQASBXTNKVHCA-CQSZACIVSA-N 1 0 374.828 2.967 20 5 FFBDRO C/C(=C/c1ccco1)C(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001134201003 1006229200 /nfs/dbraw/zinc/22/92/00/1006229200.db2.gz YJOSGWLVOHPXMP-OWBHPGMISA-N 1 0 370.409 2.982 20 5 FFBDRO O=[N+]([O-])c1cn(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)nc1-c1ccccn1 ZINC000853517493 1006423484 /nfs/dbraw/zinc/42/34/84/1006423484.db2.gz VEVMZJRHZJRNFH-YXJHDRRASA-N 1 0 371.441 2.826 20 5 FFBDRO Cn1cc(C[NH2+]CC(=O)NC2CCCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000111399829 1006429291 /nfs/dbraw/zinc/42/92/91/1006429291.db2.gz PZTIECVCZBUMMZ-UHFFFAOYSA-N 1 0 371.441 2.534 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC[C@H]([NH2+]C3CCOCC3)C2)c2ncccc12 ZINC000882725283 1006490339 /nfs/dbraw/zinc/49/03/39/1006490339.db2.gz OIVIDQHFWIWQNT-HNNXBMFYSA-N 1 0 356.426 2.880 20 5 FFBDRO CC(=O)c1ccc([N+](=O)[O-])cc1NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000853796515 1006538615 /nfs/dbraw/zinc/53/86/15/1006538615.db2.gz WQXJEYSLKDMRAS-GOSISDBHSA-N 1 0 369.421 2.976 20 5 FFBDRO Cc1nn(C)c(Nc2ccc(N3CC[N@@H+]4CCC[C@@H]4C3)cc2)c1[N+](=O)[O-] ZINC000882944281 1006571067 /nfs/dbraw/zinc/57/10/67/1006571067.db2.gz AUFATLHOEOTUHU-MRXNPFEDSA-N 1 0 356.430 2.665 20 5 FFBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC000882948726 1006572498 /nfs/dbraw/zinc/57/24/98/1006572498.db2.gz JGGDYBKACLORMM-UHFFFAOYSA-N 1 0 357.414 2.724 20 5 FFBDRO C[C@@H]([NH2+]Cc1ccc(Cn2cncn2)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815556823 1006682753 /nfs/dbraw/zinc/68/27/53/1006682753.db2.gz GAZPKKMIHPPHLV-CYBMUJFWSA-N 1 0 352.398 2.668 20 5 FFBDRO Cc1cccc(C)c1OC[C@@H](O)C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815565626 1006686453 /nfs/dbraw/zinc/68/64/53/1006686453.db2.gz VIVFPYIFZJFEDW-ZBFHGGJFSA-N 1 0 359.426 2.884 20 5 FFBDRO C[C@@H]([NH2+]CCNC(=O)c1c(F)cccc1F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815592852 1006702808 /nfs/dbraw/zinc/70/28/08/1006702808.db2.gz UVKJZDTUIBIEOW-SNVBAGLBSA-N 1 0 364.352 2.536 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(Cc2noc(C[C@@H]3[NH2+]Cc4ccccc43)n2)c1 ZINC000854153402 1006709668 /nfs/dbraw/zinc/70/96/68/1006709668.db2.gz LAWKXOWVASUAJP-INIZCTEOSA-N 1 0 366.377 2.964 20 5 FFBDRO C/C(=C/C(=O)N1CCC([N@H+]2CCOC[C@H]2C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000854571025 1006896929 /nfs/dbraw/zinc/89/69/29/1006896929.db2.gz SYAKQUHEVBLLGH-UGEDRFTOSA-N 1 0 373.453 2.710 20 5 FFBDRO C[NH+](C)C1CCC2(CC1)CCN(C(=O)c1cc([N+](=O)[O-])ccc1N)CC2 ZINC000854676369 1006950256 /nfs/dbraw/zinc/95/02/56/1006950256.db2.gz MMMPGJZWHDOWMR-UHFFFAOYSA-N 1 0 360.458 2.904 20 5 FFBDRO C[C@@H]1[C@H](OC(=O)CCn2cc([N+](=O)[O-])cn2)CCC[N@@H+]1Cc1ccccc1 ZINC000816468350 1007050544 /nfs/dbraw/zinc/05/05/44/1007050544.db2.gz FWSZBMFVKUVYBS-CRAIPNDOSA-N 1 0 372.425 2.778 20 5 FFBDRO CN(C)c1cc(F)c(C(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000855160981 1007141732 /nfs/dbraw/zinc/14/17/32/1007141732.db2.gz IEUGSOFFHXAYIE-LBPRGKRZSA-N 1 0 366.437 2.650 20 5 FFBDRO O=C(OCCC[NH+]1CCCCC1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000800136389 1007178886 /nfs/dbraw/zinc/17/88/86/1007178886.db2.gz PIWZNANSRGZNRB-UHFFFAOYSA-N 1 0 358.398 2.813 20 5 FFBDRO CCN(C(=O)c1cc(F)cc([N+](=O)[O-])c1Br)[C@@H]1CC[N@H+](C)C1 ZINC000855360378 1007301452 /nfs/dbraw/zinc/30/14/52/1007301452.db2.gz KKRZKYCNOQJPRI-SNVBAGLBSA-N 1 0 374.210 2.663 20 5 FFBDRO CCN(C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])[C@@H]1CC[N@H+](CC)C1 ZINC000855490283 1007366887 /nfs/dbraw/zinc/36/68/87/1007366887.db2.gz GAODDUFMUVFVID-GFCCVEGCSA-N 1 0 357.813 2.873 20 5 FFBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)CC1 ZINC000817492645 1007619962 /nfs/dbraw/zinc/61/99/62/1007619962.db2.gz ZOPZPGZXIZWWGC-KRWDZBQOSA-N 1 0 374.485 2.997 20 5 FFBDRO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000856412862 1007812879 /nfs/dbraw/zinc/81/28/79/1007812879.db2.gz YUKYNUSVQRBPOO-RUJXFNLJSA-N 1 0 373.453 2.710 20 5 FFBDRO CC(C)[N@H+](C)Cc1cc(O[C@H]2CCN(c3ncccc3[N+](=O)[O-])C2)ccn1 ZINC000856535234 1007876017 /nfs/dbraw/zinc/87/60/17/1007876017.db2.gz SFNHNXYSPMAIKH-KRWDZBQOSA-N 1 0 371.441 2.883 20 5 FFBDRO C[C@@H]([NH2+]CCNC(=O)CCCc1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000818353191 1007910210 /nfs/dbraw/zinc/91/02/10/1007910210.db2.gz SVWFHAMOPHEKTD-OAHLLOKOSA-N 1 0 370.453 2.967 20 5 FFBDRO [NH3+]CCc1ccc(CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)cc1 ZINC000818534864 1007949660 /nfs/dbraw/zinc/94/96/60/1007949660.db2.gz ZDHBNVFUBMXXCT-UHFFFAOYSA-N 1 0 354.410 2.600 20 5 FFBDRO C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818951454 1007990891 /nfs/dbraw/zinc/99/08/91/1007990891.db2.gz GBRHRLWAIXYCNB-GUYCJALGSA-N 1 0 358.394 2.968 20 5 FFBDRO CC[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1nnc2n1CCCCC2 ZINC000819005254 1008007045 /nfs/dbraw/zinc/00/70/45/1008007045.db2.gz ZNTDINXMGYKOLB-HOTGVXAUSA-N 1 0 359.430 2.687 20 5 FFBDRO CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819040098 1008016854 /nfs/dbraw/zinc/01/68/54/1008016854.db2.gz VKRWPVXQKYKLOC-HZPDHXFCSA-N 1 0 365.430 2.617 20 5 FFBDRO O=C(CCC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)N1CCc2ccccc21 ZINC000819054107 1008020173 /nfs/dbraw/zinc/02/01/73/1008020173.db2.gz VULHOYIRJXFAQX-IBGZPJMESA-N 1 0 369.421 2.587 20 5 FFBDRO CC(C)(O)c1ccc(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000819241059 1008068750 /nfs/dbraw/zinc/06/87/50/1008068750.db2.gz HFLOXINTFYECPD-UHFFFAOYSA-N 1 0 357.410 2.941 20 5 FFBDRO CCO[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@@H]1Oc1ccccc1 ZINC000819243257 1008069599 /nfs/dbraw/zinc/06/95/99/1008069599.db2.gz ROVYZFZVGODIQH-NMLBUPMWSA-N 1 0 372.421 2.843 20 5 FFBDRO O=C(CC[NH2+]C[C@@H]1COC2(CCCCC2)O1)Nc1ccccc1[N+](=O)[O-] ZINC000819210657 1008072205 /nfs/dbraw/zinc/07/22/05/1008072205.db2.gz XAHRILXPXNOTEW-CQSZACIVSA-N 1 0 363.414 2.589 20 5 FFBDRO O=C(N1CCC[C@H]([C@H]2CCC[NH2+]2)C1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857763059 1008203905 /nfs/dbraw/zinc/20/39/05/1008203905.db2.gz NNUSYSVKRYEVGN-SWLSCSKDSA-N 1 0 369.368 2.557 20 5 FFBDRO O=C(N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857762875 1008204062 /nfs/dbraw/zinc/20/40/62/1008204062.db2.gz GZKIBKFYOGEXKB-IUODEOHRSA-N 1 0 369.368 2.557 20 5 FFBDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)c3cc([N+](=O)[O-])ccc3N3CCCCC3)[C@@H]2C1 ZINC000819717787 1008218427 /nfs/dbraw/zinc/21/84/27/1008218427.db2.gz LWLZEZJRPHBIFZ-HNAYVOBHSA-N 1 0 372.469 2.751 20 5 FFBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 ZINC000820503734 1008346250 /nfs/dbraw/zinc/34/62/50/1008346250.db2.gz MUUNEJHLTBTKHE-QAPCUYQASA-N 1 0 374.485 2.996 20 5 FFBDRO C[NH+]1CCC(Nc2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2N)CC1 ZINC001136519118 1008504907 /nfs/dbraw/zinc/50/49/07/1008504907.db2.gz GHLZPESLXULXMN-UHFFFAOYSA-N 1 0 369.425 2.935 20 5 FFBDRO C[NH+](C)CCOC1CCN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)CC1 ZINC000859352103 1008505049 /nfs/dbraw/zinc/50/50/49/1008505049.db2.gz MLYOHXCSAUNPEG-UHFFFAOYSA-N 1 0 371.437 2.931 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2ccc(CNC[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)o2)c1 ZINC001177749464 1008731443 /nfs/dbraw/zinc/73/14/43/1008731443.db2.gz VWRCNUQKZFQYOQ-SJLPKXTDSA-N 1 0 357.410 2.808 20 5 FFBDRO COC(=O)[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H]2CCC[C@H]21 ZINC000859955036 1008742594 /nfs/dbraw/zinc/74/25/94/1008742594.db2.gz RQOMFMINLJHDBN-RRFJBIMHSA-N 1 0 363.370 2.667 20 5 FFBDRO CC(C)[NH+]1CCC(O)(CNC(=O)c2cc([N+](=O)[O-])cc3ccccc32)CC1 ZINC000860052009 1008805305 /nfs/dbraw/zinc/80/53/05/1008805305.db2.gz UYHQHOONICYANC-UHFFFAOYSA-N 1 0 371.437 2.713 20 5 FFBDRO COC[C@H]([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1CCCOC1 ZINC000886913801 1008933814 /nfs/dbraw/zinc/93/38/14/1008933814.db2.gz KJDKZTPLCFOFRI-YOEHRIQHSA-N 1 0 361.398 2.781 20 5 FFBDRO CCCc1nc(C[NH2+]CCCCCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cs1 ZINC001178458543 1008995753 /nfs/dbraw/zinc/99/57/53/1008995753.db2.gz KWFVEBPEGWTGJF-HUUCEWRRSA-N 1 0 368.503 2.527 20 5 FFBDRO C[N@@H+]1C[C@H](NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)C(C)(C)C1 ZINC001178709396 1009100040 /nfs/dbraw/zinc/10/00/40/1009100040.db2.gz NNHVVJQDVMBOHB-IBGZPJMESA-N 1 0 363.461 2.611 20 5 FFBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000126446529 1009229816 /nfs/dbraw/zinc/22/98/16/1009229816.db2.gz LKTWDQGBDIXHFH-LPHOPBHVSA-N 1 0 372.469 2.796 20 5 FFBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)C1 ZINC000889623031 1010032921 /nfs/dbraw/zinc/03/29/21/1010032921.db2.gz RPFFDCBIXOTFLZ-RHSMWYFYSA-N 1 0 368.437 2.887 20 5 FFBDRO C[NH+](C)C1(CN2C(=O)N[C@](C)(c3cccc([N+](=O)[O-])c3)C2=O)CCCCC1 ZINC000863500353 1010228499 /nfs/dbraw/zinc/22/84/99/1010228499.db2.gz RKOTWBDMFILLSQ-GOSISDBHSA-N 1 0 374.441 2.626 20 5 FFBDRO C[C@@H](CCN1C(=O)N[C@@](C)(c2cccc([N+](=O)[O-])c2)C1=O)[NH+]1CCCCC1 ZINC000863506994 1010231777 /nfs/dbraw/zinc/23/17/77/1010231777.db2.gz MCIUMLYEYBBBLB-LIRRHRJNSA-N 1 0 374.441 2.626 20 5 FFBDRO COc1ccc(CN2CC[C@H]2C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000863575682 1010261189 /nfs/dbraw/zinc/26/11/89/1010261189.db2.gz QNZIXYNWMWUCHV-ICSRJNTNSA-N 1 0 371.437 2.501 20 5 FFBDRO CCO[C@@H]1C[C@H](N(C)Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C12CCC2 ZINC000794632237 1010448135 /nfs/dbraw/zinc/44/81/35/1010448135.db2.gz GQSZZWSTSYOCOK-LSDHHAIUSA-N 1 0 361.398 2.740 20 5 FFBDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(c2cc(F)c([N+](=O)[O-])cc2CO)C1 ZINC000865564384 1010817776 /nfs/dbraw/zinc/81/77/76/1010817776.db2.gz BWHLDUMUFOIIMV-MRXNPFEDSA-N 1 0 359.401 2.937 20 5 FFBDRO O=[N+]([O-])c1cc(CO)c(NC2CC[NH+](Cc3cccnc3)CC2)cc1F ZINC000865728728 1010851259 /nfs/dbraw/zinc/85/12/59/1010851259.db2.gz ARZXGBIQPNHOGY-UHFFFAOYSA-N 1 0 360.389 2.698 20 5 FFBDRO COC(=O)Cc1ccc(N2CCC3(CC2)CC[NH+](C)CC3)c([N+](=O)[O-])c1 ZINC000866054894 1010917922 /nfs/dbraw/zinc/91/79/22/1010917922.db2.gz KWISNRWIVFZCNC-UHFFFAOYSA-N 1 0 361.442 2.623 20 5 FFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1ccc(N2CCOCC2)nc1 ZINC000866224533 1010955652 /nfs/dbraw/zinc/95/56/52/1010955652.db2.gz YIIBJCGLTJSUQC-CQSZACIVSA-N 1 0 374.416 2.686 20 5 FFBDRO C[C@]([NH3+])(C(=O)NCC1(c2ccc(F)cc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000867928077 1011122986 /nfs/dbraw/zinc/12/29/86/1011122986.db2.gz VMMCXXNXSFETAX-GOSISDBHSA-N 1 0 357.385 2.756 20 5 FFBDRO C[C@]([NH3+])(C(=O)N[C@@H](Cc1ccccc1)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000867944877 1011127950 /nfs/dbraw/zinc/12/79/50/1011127950.db2.gz KNSSJDJXCYWYOW-AZUAARDMSA-N 1 0 353.422 2.906 20 5 FFBDRO O=C(NCC[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1ccccc1 ZINC001172899020 1012073068 /nfs/dbraw/zinc/07/30/68/1012073068.db2.gz KOIXNMLDMOCQFO-GOSISDBHSA-N 1 0 353.422 2.862 20 5 FFBDRO COC(=O)CC1([NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCOCC1 ZINC001172898408 1012073139 /nfs/dbraw/zinc/07/31/39/1012073139.db2.gz AKTUPKBXXCARBR-INIZCTEOSA-N 1 0 362.426 2.544 20 5 FFBDRO CN(C)C(=O)N[C@@H]1CCC[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172911747 1012125894 /nfs/dbraw/zinc/12/58/94/1012125894.db2.gz FQLZBYRIVNNLNU-IAGOWNOFSA-N 1 0 360.458 2.578 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH2+][C@H]3CC[C@@H](O)CC3)CC2)c(F)c1 ZINC001173009779 1012179230 /nfs/dbraw/zinc/17/92/30/1012179230.db2.gz BZFJACKVAQETAV-VDISTLRHSA-N 1 0 355.385 2.735 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(N2CCC([N@H+]3C[C@H]4CC[C@@H](C3)O4)CC2)c(F)c1 ZINC001173010618 1012182398 /nfs/dbraw/zinc/18/23/98/1012182398.db2.gz WAHZRWGDEZIGMZ-OKILXGFUSA-N 1 0 353.369 2.705 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH2+][C@H]3CCC[C@H]3CO)CC2)c(F)c1 ZINC001173014574 1012184636 /nfs/dbraw/zinc/18/46/36/1012184636.db2.gz SQEKLNIASWOJDF-ZBEGNZNMSA-N 1 0 355.385 2.592 20 5 FFBDRO CC[C@@H]1COCC[N@@H+]1C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173015447 1012186608 /nfs/dbraw/zinc/18/66/08/1012186608.db2.gz QPBDWYCMPCSICQ-GFCCVEGCSA-N 1 0 355.385 2.953 20 5 FFBDRO C[C@@H]1C[C@@H](O)CC[N@@H+]1C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173018630 1012190174 /nfs/dbraw/zinc/19/01/74/1012190174.db2.gz XRZREGGGRIXDPZ-RISCZKNCSA-N 1 0 355.385 2.687 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]Cc2cnc(Cl)cn2)c1F ZINC001173179535 1012321384 /nfs/dbraw/zinc/32/13/84/1012321384.db2.gz LVYTWDDDEMAWBN-VIFPVBQESA-N 1 0 354.769 2.907 20 5 FFBDRO CCOC(=O)[C@H]1CCC[C@@H]1[NH2+][C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173178505 1012322247 /nfs/dbraw/zinc/32/22/47/1012322247.db2.gz BTUYDKACUXWKJX-DYEKYZERSA-N 1 0 368.405 2.995 20 5 FFBDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173181546 1012323591 /nfs/dbraw/zinc/32/35/91/1012323591.db2.gz GFHNWXNJOWQTBH-LOWVWBTDSA-N 1 0 354.378 2.605 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]Cc2ccc(C(N)=O)cc2)c1F ZINC001173180095 1012324919 /nfs/dbraw/zinc/32/49/19/1012324919.db2.gz TVCUJBWSSUHGCP-NSHDSACASA-N 1 0 361.373 2.562 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C2CC(O)(C(F)(F)F)C2)c1F ZINC001173181095 1012325329 /nfs/dbraw/zinc/32/53/29/1012325329.db2.gz ASSOGMPNDHYXIZ-NQTXRORDSA-N 1 0 366.311 2.719 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CCO[C@H]2CCCCO2)c1F ZINC001173182723 1012327576 /nfs/dbraw/zinc/32/75/76/1012327576.db2.gz KXKOUHFOEVDYRP-LRDDRELGSA-N 1 0 356.394 2.806 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@H]2CCN(CC(C)C)C2)c1F ZINC001173182280 1012327596 /nfs/dbraw/zinc/32/75/96/1012327596.db2.gz REWRUEKEJDIZAL-KGLIPLIRSA-N 1 0 353.438 2.993 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CCn2nnc3ccccc32)c1F ZINC001173188090 1012328149 /nfs/dbraw/zinc/32/81/49/1012328149.db2.gz IIISXDUUJOPIDH-GFCCVEGCSA-N 1 0 373.388 2.708 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+](C)C2CCN(C(C)=O)CC2)c1F ZINC001173188105 1012329291 /nfs/dbraw/zinc/32/92/91/1012329291.db2.gz CMUOAYXHGDKBLT-GFCCVEGCSA-N 1 0 367.421 2.616 20 5 FFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1C[C@@H]2CN(Cc3cccnc3)C[C@H]2C1 ZINC001173220755 1012351453 /nfs/dbraw/zinc/35/14/53/1012351453.db2.gz CDCGTHDLOJNRSX-UXPWSPDFSA-N 1 0 366.465 2.985 20 5 FFBDRO CCOC[C@@H]1C[N@@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)Cc2c1cnn2C ZINC001173220718 1012351488 /nfs/dbraw/zinc/35/14/88/1012351488.db2.gz BUVZUAGKQMYRQU-HOCLYGCPSA-N 1 0 358.442 2.895 20 5 FFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)n1cc(C[C@H]([NH3+])C(N)=O)c2ccccc21 ZINC001173217084 1012352662 /nfs/dbraw/zinc/35/26/62/1012352662.db2.gz LDJQHPOSAPNOGX-UGSOOPFHSA-N 1 0 366.421 2.708 20 5 FFBDRO CCn1ncc2c1[C@H](COC)C[N@@H+]([C@H](C)Cc1ccc([N+](=O)[O-])cc1)C2 ZINC001173227229 1012362525 /nfs/dbraw/zinc/36/25/25/1012362525.db2.gz UELNFKBLEMRCFA-PBHICJAKSA-N 1 0 358.442 2.988 20 5 FFBDRO COc1cnc(OC2CC[NH+]([C@@H](C)Cc3ccc([N+](=O)[O-])cc3)CC2)nc1 ZINC001173236888 1012383478 /nfs/dbraw/zinc/38/34/78/1012383478.db2.gz FWDIKRDGDYRELV-AWEZNQCLSA-N 1 0 372.425 2.868 20 5 FFBDRO O=C(OC1CC(n2cc([N+](=O)[O-])cn2)C1)c1cccc(C[NH+]2CCCC2)c1 ZINC000870827993 1012581503 /nfs/dbraw/zinc/58/15/03/1012581503.db2.gz IOTSSDOEUFFKPQ-UHFFFAOYSA-N 1 0 370.409 2.948 20 5 FFBDRO C[NH+](C)C1(C)CCC(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC1 ZINC000871357018 1012882929 /nfs/dbraw/zinc/88/29/29/1012882929.db2.gz SXVKBNKYWYBHTO-UHFFFAOYSA-N 1 0 371.441 2.773 20 5 FFBDRO CC(C)(C)CC[NH2+]C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001173690519 1012901769 /nfs/dbraw/zinc/90/17/69/1012901769.db2.gz SKYLWTSNQTVHOF-UHFFFAOYSA-N 1 0 369.487 2.774 20 5 FFBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3N3CCCCC3)CC[C@@H]21 ZINC000827364123 1017772275 /nfs/dbraw/zinc/77/22/75/1017772275.db2.gz FSVDXLMXTDJSLZ-QAPCUYQASA-N 1 0 372.469 2.751 20 5 FFBDRO Cn1nnc2c1C[C@H]([NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])CC2 ZINC000927150434 1018380311 /nfs/dbraw/zinc/38/03/11/1018380311.db2.gz LRDGGZSVGHHLOG-FVQBIDKESA-N 1 0 355.442 2.582 20 5 FFBDRO C[C@@H]1[C@@H](NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000928436245 1018977797 /nfs/dbraw/zinc/97/77/97/1018977797.db2.gz BDTMIPRRJYZQNH-KDOFPFPSSA-N 1 0 369.421 2.996 20 5 FFBDRO CC(C)[C@H](CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N)[NH+]1CCC(C)CC1 ZINC000801816729 1019413245 /nfs/dbraw/zinc/41/32/45/1019413245.db2.gz SITYTYYLFAZGIU-KRWDZBQOSA-N 1 0 366.437 2.802 20 5 FFBDRO C[C@]1(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)CC[N@H+](Cc2ccccc2)C1 ZINC000406048463 1032845833 /nfs/dbraw/zinc/84/58/33/1032845833.db2.gz XCACOWCCZUQMNO-IBGZPJMESA-N 1 0 354.410 2.571 20 5 FFBDRO COc1ccc(Cc2nnc(C[C@@H]([NH3+])c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC001217734383 1032852918 /nfs/dbraw/zinc/85/29/18/1032852918.db2.gz WCPMOESNYSGTSX-MRXNPFEDSA-N 1 0 354.366 2.820 20 5 FFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](C[C@H]3CCC[C@@H](C(F)(F)F)O3)C2)nc1 ZINC000929989943 1019797169 /nfs/dbraw/zinc/79/71/69/1019797169.db2.gz TYSHQFMLJZIBCS-BNOWGMLFSA-N 1 0 374.363 2.976 20 5 FFBDRO O=[N+]([O-])c1cccc2c1CC[N@@H+](C[C@@H](O)CC[C@H](O)c1ccccc1)C2 ZINC000930100426 1019869374 /nfs/dbraw/zinc/86/93/74/1019869374.db2.gz VQBYGNWNYISNTJ-PXNSSMCTSA-N 1 0 356.422 2.828 20 5 FFBDRO O=[N+]([O-])c1cccc2c1CC[N@@H+](C[C@@H](O)CC[C@@H](O)c1ccccc1)C2 ZINC000930100425 1019870073 /nfs/dbraw/zinc/87/00/73/1019870073.db2.gz VQBYGNWNYISNTJ-FXAWDEMLSA-N 1 0 356.422 2.828 20 5 FFBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@H](O)CC[C@H](O)c1ccccc1 ZINC000930442224 1020034744 /nfs/dbraw/zinc/03/47/44/1020034744.db2.gz WHWBIOZAOLPYIX-QUCCMNQESA-N 1 0 358.438 2.944 20 5 FFBDRO COc1ccc(NC(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc1[N+](=O)[O-] ZINC000930769526 1020169904 /nfs/dbraw/zinc/16/99/04/1020169904.db2.gz PQCSRFNHFIBMBR-AWEZNQCLSA-N 1 0 362.430 2.799 20 5 FFBDRO CC(C)C[C@H]1C[N@H+](C)CCN1CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000902537727 1020265258 /nfs/dbraw/zinc/26/52/58/1020265258.db2.gz DJEXXCWCXNVUQC-RBUKOAKNSA-N 1 0 374.485 2.530 20 5 FFBDRO CC(C)C[C@@H]1C[N@H+](C)CCN1CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000902537721 1020265481 /nfs/dbraw/zinc/26/54/81/1020265481.db2.gz DJEXXCWCXNVUQC-MOPGFXCFSA-N 1 0 374.485 2.530 20 5 FFBDRO Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 ZINC001048525503 1020276415 /nfs/dbraw/zinc/27/64/15/1020276415.db2.gz XOLRFPSREANIJD-RSRPTUBKSA-N 1 0 357.454 2.519 20 5 FFBDRO COc1cc([C@@H](C)NCC2([NH+]3CCCC3)CCOCC2)cc([N+](=O)[O-])c1 ZINC000903090844 1020672512 /nfs/dbraw/zinc/67/25/12/1020672512.db2.gz IDGMDDPKSDBHCK-OAHLLOKOSA-N 1 0 363.458 2.899 20 5 FFBDRO Cc1c(NC(=O)CC[N@H+]2CCC[C@H](c3ccn(C)n3)C2)cccc1[N+](=O)[O-] ZINC000932134628 1020714364 /nfs/dbraw/zinc/71/43/64/1020714364.db2.gz LYNUISPEWWTMMH-HNNXBMFYSA-N 1 0 371.441 2.845 20 5 FFBDRO COc1cc([C@H](C)[NH2+][C@H]2CCO[C@@H](c3ccnn3C)C2)cc([N+](=O)[O-])c1 ZINC000903186125 1020729044 /nfs/dbraw/zinc/72/90/44/1020729044.db2.gz ILSAOVGHYYSQMF-XAYKYTGQSA-N 1 0 360.414 2.908 20 5 FFBDRO O=[N+]([O-])c1cc(F)cc(Br)c1O[C@H]1C[NH2+]CCC[C@H]1F ZINC001217979248 1032929247 /nfs/dbraw/zinc/92/92/47/1032929247.db2.gz HCUUZARDDZKORS-KOLCDFICSA-N 1 0 351.147 2.965 20 5 FFBDRO O=[N+]([O-])c1c(I)cccc1O[C@@H]1CCCC[NH2+]C1 ZINC001217976687 1032929343 /nfs/dbraw/zinc/92/93/43/1032929343.db2.gz YDRZZGWSIHVMLX-SECBINFHSA-N 1 0 362.167 2.720 20 5 FFBDRO C[C@@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)CCO2 ZINC000933488868 1021021595 /nfs/dbraw/zinc/02/15/95/1021021595.db2.gz PTIDQKPZRBJVFR-CYBMUJFWSA-N 1 0 355.394 2.843 20 5 FFBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC001118477320 1022256073 /nfs/dbraw/zinc/25/60/73/1022256073.db2.gz IUSXSHFVIWMVLE-NVXWUHKLSA-N 1 0 372.400 2.733 20 5 FFBDRO COCCC[N@H+](C)CCNc1ncnc2c(Cl)cc([N+](=O)[O-])cc12 ZINC001118528760 1022274329 /nfs/dbraw/zinc/27/43/29/1022274329.db2.gz DVPJQTPLFDRVSV-UHFFFAOYSA-N 1 0 353.810 2.572 20 5 FFBDRO C[C@@H]1CCC[C@@](CNC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)([NH+](C)C)C1 ZINC000116487783 1022406429 /nfs/dbraw/zinc/40/64/29/1022406429.db2.gz AXOUGLVTBQSVIE-AUUYWEPGSA-N 1 0 362.474 2.901 20 5 FFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1C1CC1 ZINC001039583229 1022766326 /nfs/dbraw/zinc/76/63/26/1022766326.db2.gz ICEPFCBWCIIAOT-PIKOESSRSA-N 1 0 369.465 2.795 20 5 FFBDRO Cc1ccc(C(=O)c2cc(O)c(O[C@H]3CCC[NH2+]C3)c([N+](=O)[O-])c2)cc1 ZINC001218283211 1033085738 /nfs/dbraw/zinc/08/57/38/1033085738.db2.gz ICBNWUILCQJXJY-HNNXBMFYSA-N 1 0 356.378 2.971 20 5 FFBDRO [NH3+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC001122243301 1023140068 /nfs/dbraw/zinc/14/00/68/1023140068.db2.gz AMRMYGBCSQABRU-OMDZNHTLSA-N 1 0 351.406 2.783 20 5 FFBDRO [NH3+]C[C@]12CC[C@@H]1CCCN2C(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC001122270677 1023159291 /nfs/dbraw/zinc/15/92/91/1023159291.db2.gz VIZFEBHNIGCLLS-SUMWQHHRSA-N 1 0 351.834 2.911 20 5 FFBDRO CNc1ccc(C(=O)N2C[C@]34C[N@H+](C)C[C@@]3(C2)CCCC4)cc1[N+](=O)[O-] ZINC001120754541 1023451529 /nfs/dbraw/zinc/45/15/29/1023451529.db2.gz CKHOLQWCMVKJHC-KDURUIRLSA-N 1 0 358.442 2.585 20 5 FFBDRO C[C@@H]1CC[C@H](Oc2cc(I)ccc2[N+](=O)[O-])C[NH2+]1 ZINC001218407985 1033141805 /nfs/dbraw/zinc/14/18/05/1033141805.db2.gz SGVMUHAIRHEJPM-SCZZXKLOSA-N 1 0 362.167 2.719 20 5 FFBDRO C[C@H]1CC[C@H](Oc2cc([N+](=O)[O-])ccc2I)C[NH2+]1 ZINC001218409245 1033143992 /nfs/dbraw/zinc/14/39/92/1033143992.db2.gz YIQNTSZZNUITGW-WPRPVWTQSA-N 1 0 362.167 2.719 20 5 FFBDRO Cc1cscc1C(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001121159116 1023631102 /nfs/dbraw/zinc/63/11/02/1023631102.db2.gz DMVXKRUFFPNKSD-UHFFFAOYSA-N 1 0 360.439 2.969 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N(CCc1ccccc1)CC[NH+](C)C ZINC000756653172 1023740737 /nfs/dbraw/zinc/74/07/37/1023740737.db2.gz QGDDIWOMLKMTRC-UHFFFAOYSA-N 1 0 371.437 2.850 20 5 FFBDRO CC(C)(C)OC(=O)c1ccc([N+](=O)[O-])c(O[C@H]2C[NH2+]CCC2(F)F)c1 ZINC001218452985 1033162216 /nfs/dbraw/zinc/16/22/16/1033162216.db2.gz PAXPINCAZFJDIA-ZDUSSCGKSA-N 1 0 358.341 2.926 20 5 FFBDRO CCn1c(Cc2cccc([N+](=O)[O-])c2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001121713060 1023940896 /nfs/dbraw/zinc/94/08/96/1023940896.db2.gz VIIKPILMHAEUBZ-UHFFFAOYSA-N 1 0 372.473 2.764 20 5 FFBDRO O=C(Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001122071699 1024318278 /nfs/dbraw/zinc/31/82/78/1024318278.db2.gz YLWSAFAMKIHYAZ-FHWLQOOXSA-N 1 0 367.405 2.998 20 5 FFBDRO C[C@H]1C[C@@H](NC(=O)c2ccc(N)c([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000079945151 1024422842 /nfs/dbraw/zinc/42/28/42/1024422842.db2.gz BXUXZKUKBQEZPH-YOEHRIQHSA-N 1 0 368.437 2.960 20 5 FFBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 ZINC000837184888 1025638345 /nfs/dbraw/zinc/63/83/45/1025638345.db2.gz ORZGEPVTLWCQCP-INIZCTEOSA-N 1 0 360.458 2.750 20 5 FFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000246313416 1026006032 /nfs/dbraw/zinc/00/60/32/1026006032.db2.gz QYNKGWKWXNQMIG-OXQOHEQNSA-N 1 0 355.438 2.835 20 5 FFBDRO CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)OCC[C@H]1CCCC[N@H+]1C ZINC000838096678 1026204682 /nfs/dbraw/zinc/20/46/82/1026204682.db2.gz OUIGQQNGTWCTEA-GFCCVEGCSA-N 1 0 367.377 2.724 20 5 FFBDRO O=C(OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1C[NH+](C2CCCCC2)C1 ZINC000838464051 1026372983 /nfs/dbraw/zinc/37/29/83/1026372983.db2.gz KITLLCIOEVQVHJ-UHFFFAOYSA-N 1 0 363.370 2.811 20 5 FFBDRO O=C(Cn1cc([N+](=O)[O-])cn1)OCc1cccc(C[NH+]2CCCCC2)c1 ZINC000840197765 1027006066 /nfs/dbraw/zinc/00/60/66/1027006066.db2.gz IDHFEEUWJFIEQS-UHFFFAOYSA-N 1 0 358.398 2.521 20 5 FFBDRO CCOC(=O)C1(Nc2cc(C)c3cc([N+](=O)[O-])ccc3n2)CC[NH+](C)CC1 ZINC001158568788 1027061440 /nfs/dbraw/zinc/06/14/40/1027061440.db2.gz QPIWWKMXCQOWRW-UHFFFAOYSA-N 1 0 372.425 2.891 20 5 FFBDRO Cc1ccc(CCC[N@H+]2CC=C(CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1 ZINC001160097862 1027589282 /nfs/dbraw/zinc/58/92/82/1027589282.db2.gz MQFHSENQWTXWMB-WOJBJXKFSA-N 1 0 371.481 2.731 20 5 FFBDRO Cc1cc(Cl)nc(NCc2ccccc2N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001160109412 1027595277 /nfs/dbraw/zinc/59/52/77/1027595277.db2.gz HYGIWXJGTZMUQH-UHFFFAOYSA-N 1 0 361.833 2.973 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)ncnc2NCc1ccccc1N1CC[NH2+]CC1 ZINC001160110028 1027595482 /nfs/dbraw/zinc/59/54/82/1027595482.db2.gz UPYCYTRTONHSTM-UHFFFAOYSA-N 1 0 364.409 2.560 20 5 FFBDRO Nc1cc(CCCCNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)cc[nH+]1 ZINC001160239105 1027646554 /nfs/dbraw/zinc/64/65/54/1027646554.db2.gz OXFYZCZLRYHFOU-UHFFFAOYSA-N 1 0 369.425 2.899 20 5 FFBDRO O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N[C@H]2CC[NH2+]C[C@@H]2C(F)(F)F)c1 ZINC001160736829 1027844273 /nfs/dbraw/zinc/84/42/73/1027844273.db2.gz NIFXAWPRSMADNS-IUCAKERBSA-N 1 0 374.697 2.823 20 5 FFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000248894317 1027873271 /nfs/dbraw/zinc/87/32/71/1027873271.db2.gz SYRLSGNTKNCUSP-CXAGYDPISA-N 1 0 357.385 2.984 20 5 FFBDRO Cc1nn(CN(C)CCC[N@H+](C)Cc2ccco2)c2ncc([N+](=O)[O-])cc12 ZINC000795751830 1028092539 /nfs/dbraw/zinc/09/25/39/1028092539.db2.gz KEVQFLKBANUKBN-UHFFFAOYSA-N 1 0 372.429 2.652 20 5 FFBDRO O=[N+]([O-])c1c(Cl)cc(Cl)nc1NC1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001161464935 1028190396 /nfs/dbraw/zinc/19/03/96/1028190396.db2.gz UIXPEOSNRJLOML-SNVBAGLBSA-N 1 0 360.245 2.535 20 5 FFBDRO COCCC1(CNc2ccc(-c3ccccc3[N+](=O)[O-])nn2)CC[NH2+]CC1 ZINC001161502555 1028205210 /nfs/dbraw/zinc/20/52/10/1028205210.db2.gz FJQCGOILIFFPIF-UHFFFAOYSA-N 1 0 371.441 2.870 20 5 FFBDRO Cc1cc(NC[C@H]2CCC[NH2+]C[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001155028701 1028552311 /nfs/dbraw/zinc/55/23/11/1028552311.db2.gz BTDNWNNAYQXWSH-CZUORRHYSA-N 1 0 355.442 2.830 20 5 FFBDRO COC(=O)Cc1ccc(-n2c3ccccc3nc2[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC001162776867 1028651874 /nfs/dbraw/zinc/65/18/74/1028651874.db2.gz FKXKLYCFDZSRNH-LLVKDONJSA-N 1 0 354.366 2.669 20 5 FFBDRO [NH3+]CC1CN([C@@H]2CCCN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)C2)C1 ZINC001155382363 1028708820 /nfs/dbraw/zinc/70/88/20/1028708820.db2.gz LZBNQOQFVCBQSF-QGZVFWFLSA-N 1 0 367.453 2.516 20 5 FFBDRO Cc1c(NC[C@H]2CCC3(CC[NH2+]CC3)CO2)ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001162964743 1028734866 /nfs/dbraw/zinc/73/48/66/1028734866.db2.gz AGJPVKRVSMNZNH-CYBMUJFWSA-N 1 0 364.402 2.772 20 5 FFBDRO O=[N+]([O-])c1cc(NCC[C@@H]2CCOC23C[NH2+]C3)ccc1OC(F)(F)F ZINC001163089387 1028792632 /nfs/dbraw/zinc/79/26/32/1028792632.db2.gz KLOHVIPUEMMSBZ-SNVBAGLBSA-N 1 0 361.320 2.674 20 5 FFBDRO CCOC(=O)c1cc([N+](=O)[O-])c(Nc2cnn(CC[NH+](C)C)c2)cc1C ZINC001163597335 1028981693 /nfs/dbraw/zinc/98/16/93/1028981693.db2.gz MUMDRCLNSFQSFT-UHFFFAOYSA-N 1 0 361.402 2.582 20 5 FFBDRO C[NH2+]C1CN(C(F)(F)c2cc(-c3ccc([N+](=O)[O-])cc3)nnc2Cl)C1 ZINC001163704860 1029032558 /nfs/dbraw/zinc/03/25/58/1029032558.db2.gz FOLDHMHEJCTVCU-UHFFFAOYSA-N 1 0 369.759 2.658 20 5 FFBDRO Nc1cc([N+](=O)[O-])cnc1N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001156316652 1029140958 /nfs/dbraw/zinc/14/09/58/1029140958.db2.gz HIXCKAVUGPEHOW-YXJHDRRASA-N 1 0 353.426 2.895 20 5 FFBDRO COC(=O)C1(Nc2cc3ccc(Cl)nc3cc2[N+](=O)[O-])CC[NH2+]CC1 ZINC001156537247 1029236716 /nfs/dbraw/zinc/23/67/16/1029236716.db2.gz JVJMROKCQIGUMD-UHFFFAOYSA-N 1 0 364.789 2.504 20 5 FFBDRO CSc1nc(Cl)nc(-n2ccc3cc(C[NH3+])cnc32)c1[N+](=O)[O-] ZINC001156594855 1029263010 /nfs/dbraw/zinc/26/30/10/1029263010.db2.gz SCIJUCBLLAFFRI-UHFFFAOYSA-N 1 0 350.791 2.558 20 5 FFBDRO [NH3+]Cc1cnc2c(ccn2-c2nc(C(F)(F)F)nc(Cl)c2[N+](=O)[O-])c1 ZINC001156601070 1029265845 /nfs/dbraw/zinc/26/58/45/1029265845.db2.gz YFLUNLQQUQIGNH-UHFFFAOYSA-N 1 0 372.694 2.855 20 5 FFBDRO O=C(NCCC1(C[NH2+]Cc2ccccc2C2CC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001164494580 1029298858 /nfs/dbraw/zinc/29/88/58/1029298858.db2.gz NIXITOJKQBIBAR-QZTJIDSGSA-N 1 0 357.454 2.605 20 5 FFBDRO O=[N+]([O-])c1cnc(Cl)nc1N1C[C@H]2[C@@H](CC[N@@H+]2Cc2ccccc2)C1 ZINC001165086699 1029374744 /nfs/dbraw/zinc/37/47/44/1029374744.db2.gz OAJMABLYWAEDDP-ZFWWWQNUSA-N 1 0 359.817 2.749 20 5 FFBDRO Cc1ncc([N+](=O)[O-])c(N2CCC([N@@H+]3CCc4ccccc4C3)CC2)n1 ZINC001165150855 1029423813 /nfs/dbraw/zinc/42/38/13/1029423813.db2.gz QLCKILDGNYMKGZ-UHFFFAOYSA-N 1 0 353.426 2.720 20 5 FFBDRO C[N@H+](Cc1ccc(F)cc1)C1CCN(c2ccc([N+](=O)[O-])c(N)n2)CC1 ZINC001157074563 1029458530 /nfs/dbraw/zinc/45/85/30/1029458530.db2.gz KKMOSQZZPADNJF-UHFFFAOYSA-N 1 0 359.405 2.812 20 5 FFBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N(C)CC[N@H+](C)Cc1ccccc1 ZINC001157556626 1029616979 /nfs/dbraw/zinc/61/69/79/1029616979.db2.gz LFIBXPZNFPWTGA-UHFFFAOYSA-N 1 0 372.425 2.735 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2ncn(C[N@@H+]3CC[C@H](Cc4ccncc4)C3)n2)c1 ZINC000782292501 1029645651 /nfs/dbraw/zinc/64/56/51/1029645651.db2.gz UULFREIVRQMLML-MRXNPFEDSA-N 1 0 364.409 2.770 20 5 FFBDRO CCC[NH+]1C[C@H]2CN(c3ccc(-c4ccc([N+](=O)[O-])cc4)nn3)C[C@@H]2C1 ZINC001157690378 1029647084 /nfs/dbraw/zinc/64/70/84/1029647084.db2.gz DKLYQICQJAATFE-HOTGVXAUSA-N 1 0 353.426 2.830 20 5 FFBDRO Cc1cc(Cl)nc(-n2nc(-c3ccccc3)nc2CC[NH3+])c1[N+](=O)[O-] ZINC001157895404 1029681091 /nfs/dbraw/zinc/68/10/91/1029681091.db2.gz CXBUROFHZITRPG-UHFFFAOYSA-N 1 0 358.789 2.701 20 5 FFBDRO O=[N+]([O-])c1cnc(NCc2ccsc2Br)nc1C1C[NH2+]C1 ZINC001158196163 1029754052 /nfs/dbraw/zinc/75/40/52/1029754052.db2.gz DFHWWELZSUAJML-UHFFFAOYSA-N 1 0 370.232 2.508 20 5 FFBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NC[C@@H]1C[NH+]2CCC1CC2 ZINC001158269107 1029781608 /nfs/dbraw/zinc/78/16/08/1029781608.db2.gz OCUUSVGYASYEQU-GFCCVEGCSA-N 1 0 369.874 2.798 20 5 FFBDRO COc1cc(N(c2cc(Cl)ncc2[N+](=O)[O-])C2CC[NH2+]CC2)ccn1 ZINC001158324476 1029798202 /nfs/dbraw/zinc/79/82/02/1029798202.db2.gz AYQKUPLWIJZNKU-UHFFFAOYSA-N 1 0 363.805 2.937 20 5 FFBDRO O=[N+]([O-])c1c(Cl)c2ccccc2nc1N1CCO[C@@H]2C[NH2+]CC[C@@H]2C1 ZINC001165288262 1029932690 /nfs/dbraw/zinc/93/26/90/1029932690.db2.gz ILXWWTSVERIOLP-BXUZGUMPSA-N 1 0 362.817 2.611 20 5 FFBDRO [NH3+][C@@H]1CN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C[C@H]1c1ccccc1 ZINC000841857030 1030506102 /nfs/dbraw/zinc/50/61/02/1030506102.db2.gz WKLVVJLSRHDUNR-DOTOQJQBSA-N 1 0 374.828 2.885 20 5 FFBDRO O=[N+]([O-])c1cn(C[N@@H+]2CCC[C@H]2[C@@H]2CCCOC2)nc1-c1ccncc1 ZINC000842620348 1030832421 /nfs/dbraw/zinc/83/24/21/1030832421.db2.gz ZZKCNXDMRPBSTA-CVEARBPZSA-N 1 0 357.414 2.702 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)c1ccc2c(c1)CC(=O)N2C ZINC000797518779 1031141784 /nfs/dbraw/zinc/14/17/84/1031141784.db2.gz LIKJXRYMDYPRSV-GFCCVEGCSA-N 1 0 355.394 2.973 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@H](O)c2ccccc2C(F)(F)F)c1 ZINC000843070624 1031172487 /nfs/dbraw/zinc/17/24/87/1031172487.db2.gz VUPCEMMHZFOQJV-CVEARBPZSA-N 1 0 370.327 2.970 20 5 FFBDRO CC(C)Oc1ccc([C@H](O)C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000843080907 1031173785 /nfs/dbraw/zinc/17/37/85/1031173785.db2.gz KNYBKKGGHJKVGP-MOPGFXCFSA-N 1 0 360.410 2.739 20 5 FFBDRO C[C@H](O)[C@](C)(C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000843099326 1031182800 /nfs/dbraw/zinc/18/28/00/1031182800.db2.gz DSLCQZVLEIGKOU-YSSFQJQWSA-N 1 0 358.438 2.848 20 5 FFBDRO [NH2+]=c1ccc2nc3c(cc(NC(=O)[C@@H]4CNC(=O)C4)c4ccccc43)oc-2c1 ZINC001143297924 1031399647 /nfs/dbraw/zinc/39/96/47/1031399647.db2.gz NRROEHPOPQWNOZ-NSHDSACASA-N 1 0 372.384 2.640 20 5 FFBDRO O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000843486881 1031426019 /nfs/dbraw/zinc/42/60/19/1031426019.db2.gz WVWMBCFUFKATOD-HOTGVXAUSA-N 1 0 372.469 2.657 20 5 FFBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000843501067 1031430448 /nfs/dbraw/zinc/43/04/48/1031430448.db2.gz BFYZURNVROOBBG-UHFFFAOYSA-N 1 0 372.469 2.544 20 5 FFBDRO [NH3+]CCCCCCNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000843510627 1031438293 /nfs/dbraw/zinc/43/82/93/1031438293.db2.gz USMQENRDXYPWGS-UHFFFAOYSA-N 1 0 351.450 2.790 20 5 FFBDRO Cn1c(C(=O)NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000798523611 1031445397 /nfs/dbraw/zinc/44/53/97/1031445397.db2.gz LIKBMVJFEGYSBS-IBGZPJMESA-N 1 0 356.426 2.575 20 5 FFBDRO COC(=O)COc1ccc(C[N@@H+]2CC[C@H](c3ccccn3)C2)cc1[N+](=O)[O-] ZINC000798965080 1031597561 /nfs/dbraw/zinc/59/75/61/1031597561.db2.gz XXGXYEQYVCEJET-HNNXBMFYSA-N 1 0 371.393 2.531 20 5 FFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(C[NH2+]CC/C=C\c2ccccc2)CC1 ZINC001205230351 1031613120 /nfs/dbraw/zinc/61/31/20/1031613120.db2.gz OFRZNOORMDGIMC-HUPPCRNXSA-N 1 0 357.454 2.583 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](c2ccccn2)C1 ZINC000799194740 1031691734 /nfs/dbraw/zinc/69/17/34/1031691734.db2.gz XOVYNJGFFZZRMD-AWEZNQCLSA-N 1 0 370.409 2.817 20 5 FFBDRO O=C(NCC1([NH2+]Cc2sccc2Cl)CCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001115530711 1031787519 /nfs/dbraw/zinc/78/75/19/1031787519.db2.gz NALVSXFVPSTFCF-DGCLKSJQSA-N 1 0 371.890 2.975 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001150942069 1031818354 /nfs/dbraw/zinc/81/83/54/1031818354.db2.gz NOFUHAZUNQSSSH-QGZVFWFLSA-N 1 0 353.422 2.868 20 5 FFBDRO Cn1cc([N+](=O)[O-])c(C(=O)OC[C@H]2CCCC[N@@H+]2Cc2ccccc2)n1 ZINC000799632783 1031846459 /nfs/dbraw/zinc/84/64/59/1031846459.db2.gz PNIKHNCHYNPJRB-OAHLLOKOSA-N 1 0 358.398 2.540 20 5 FFBDRO [NH3+]CCN(CC1(c2ccc3c(c2)OCO3)CC1)c1ccccc1[N+](=O)[O-] ZINC001205709143 1031946581 /nfs/dbraw/zinc/94/65/81/1031946581.db2.gz VCNYMIRSWMXNFB-UHFFFAOYSA-N 1 0 355.394 2.820 20 5 FFBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]C[C@H](c3nnc[nH]3)c3ccccc3)nc2c1 ZINC001205795551 1031999471 /nfs/dbraw/zinc/99/94/71/1031999471.db2.gz LUBQDNQTFKZNIJ-AWEZNQCLSA-N 1 0 364.365 2.776 20 5 FFBDRO CCN(CCC[NH+](CC)CC)C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000830185237 1033498049 /nfs/dbraw/zinc/49/80/49/1033498049.db2.gz XJPFGASFRSROHF-UHFFFAOYSA-N 1 0 368.453 2.994 20 5 FFBDRO CC(C)(C)OC(=O)Nc1ccc(COC(=O)C[C@@H](O)C[N+](C)(C)C)cc1 ZINC001223576133 1033503218 /nfs/dbraw/zinc/50/32/18/1033503218.db2.gz SEAIQUXXNWPPOF-MRXNPFEDSA-O 1 0 367.466 2.534 20 5 FFBDRO C[NH+](C)CC[C@H](NC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)c1cccnc1 ZINC000830210993 1033511259 /nfs/dbraw/zinc/51/12/59/1033511259.db2.gz WRRRJPUQJUAQCH-QRVBRYPASA-N 1 0 368.437 2.903 20 5 FFBDRO O=C(Nc1ncc([N+](=O)[O-])s1)c1ccccc1O[C@H]1C[NH+]2CCC1CC2 ZINC001227515812 1035593464 /nfs/dbraw/zinc/59/34/64/1035593464.db2.gz OKTJIYDPCQLTLW-AWEZNQCLSA-N 1 0 374.422 2.777 20 5 FFBDRO COc1cc(OC2CC[NH+](C)CC2)c2c(c1)oc1c(O)ccc(O)c1c2=O ZINC001227645855 1035652884 /nfs/dbraw/zinc/65/28/84/1035652884.db2.gz KHMYCALZOYFWIA-UHFFFAOYSA-N 1 0 371.389 2.839 20 5 FFBDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1Oc1cc[n+]([O-])cc1[N+](=O)[O-] ZINC001229453000 1036684002 /nfs/dbraw/zinc/68/40/02/1036684002.db2.gz ZHYYLWRETIERTP-SFHVURJKSA-N 1 0 357.410 2.908 20 5 FFBDRO C[C@H](C[NH+](C)C)Oc1c(I)cccc1[N+](=O)[O-] ZINC001229880735 1036955193 /nfs/dbraw/zinc/95/51/93/1036955193.db2.gz SZDDGQMVQPJOJE-MRVPVSSYSA-N 1 0 350.156 2.528 20 5 FFBDRO COC(=O)c1cc(O[C@@H]2[C@@H]3CCC[C@H]2C[N@@H+](C)C3)c(F)cc1[N+](=O)[O-] ZINC001229937981 1036989546 /nfs/dbraw/zinc/98/95/46/1036989546.db2.gz FWPRILRYEAWHFU-CULMDFNYSA-N 1 0 352.362 2.630 20 5 FFBDRO O=[N+]([O-])c1cccc2ncnc(OC3CCN(c4cc[nH+]cc4)CC3)c21 ZINC001231053223 1037451851 /nfs/dbraw/zinc/45/18/51/1037451851.db2.gz LYEIZROZDJELOI-UHFFFAOYSA-N 1 0 351.366 2.981 20 5 FFBDRO CCOC(C[NH2+]C1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1)OCC ZINC001256085638 1038370352 /nfs/dbraw/zinc/37/03/52/1038370352.db2.gz RGMKNFFTKVRYIK-UHFFFAOYSA-N 1 0 367.446 2.561 20 5 FFBDRO CCOC(=O)C[C@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC001256086881 1038370561 /nfs/dbraw/zinc/37/05/61/1038370561.db2.gz GYWYTHFJWUUAFX-ZDUSSCGKSA-N 1 0 365.430 2.504 20 5 FFBDRO COc1cc(N2CCC(N(C(N)=[NH2+])c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC001256087628 1038372440 /nfs/dbraw/zinc/37/24/40/1038372440.db2.gz HVNUZEUFTWWJGO-UHFFFAOYSA-N 1 0 369.425 2.972 20 5 FFBDRO COc1ccc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])c(OC)c3)CC2)cn1 ZINC001256087307 1038372950 /nfs/dbraw/zinc/37/29/50/1038372950.db2.gz VZRJFKCQYKMKFA-UHFFFAOYSA-N 1 0 372.425 2.766 20 5 FFBDRO COc1cc(N2CCC([N@@H+]3CCC[C@H]4CN(C)C[C@H]43)CC2)ccc1[N+](=O)[O-] ZINC001256100863 1038385350 /nfs/dbraw/zinc/38/53/50/1038385350.db2.gz RHHGCIFOZYNJAW-HNAYVOBHSA-N 1 0 374.485 2.598 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)[C@H]3C2)n1 ZINC001276658580 1039068247 /nfs/dbraw/zinc/06/82/47/1039068247.db2.gz NWYNJAJEHOVYPF-APWZRJJASA-N 1 0 366.421 2.645 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1-c1nc2c(cccc2N2CC[NH+](C)CC2)[nH]1 ZINC001251473473 1039148431 /nfs/dbraw/zinc/14/84/31/1039148431.db2.gz DCVCPLFVVWWPCI-UHFFFAOYSA-N 1 0 367.409 2.899 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@H]1CCCC[C@@]13CNCCO3)CC2 ZINC001246160913 1039262125 /nfs/dbraw/zinc/26/21/25/1039262125.db2.gz PXADDQOZKFYWBY-YZGWKJHDSA-N 1 0 359.470 2.733 20 5 FFBDRO CCOc1cc(C(=O)N[C@H]2CCCC[C@H]2[NH+](C)C)c([N+](=O)[O-])cc1OC ZINC001251761600 1039292763 /nfs/dbraw/zinc/29/27/63/1039292763.db2.gz JFJRUBUQKNQPAJ-UONOGXRCSA-N 1 0 365.430 2.605 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@H]3Cc4ccccc4CN3)CC2)cc1 ZINC001246276975 1039294243 /nfs/dbraw/zinc/29/42/43/1039294243.db2.gz GPGMGKDPETWAMS-LJQANCHMSA-N 1 0 366.465 2.868 20 5 FFBDRO COc1cc(Nc2cnc(OC)c([N+](=O)[O-])c2)ccc1N1CC[NH+](C)CC1 ZINC001210140332 1039401993 /nfs/dbraw/zinc/40/19/93/1039401993.db2.gz YOMXWYSPSBPGJO-UHFFFAOYSA-N 1 0 373.413 2.502 20 5 FFBDRO C[C@@H]1C[NH2+]C[C@@H](C)N1C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001246877417 1039514073 /nfs/dbraw/zinc/51/40/73/1039514073.db2.gz AZWSMDGDQLVHAH-VXGBXAGGSA-N 1 0 354.401 2.524 20 5 FFBDRO CCC[C@H]1CN(C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)CC[NH2+]1 ZINC001246896991 1039522594 /nfs/dbraw/zinc/52/25/94/1039522594.db2.gz IHXVAHDHOBASSI-ZDUSSCGKSA-N 1 0 368.428 2.916 20 5 FFBDRO CCOC(=O)c1cc(Nc2cnn(C3CC[NH+](C)CC3)c2)cc([N+](=O)[O-])c1 ZINC001211369248 1040112272 /nfs/dbraw/zinc/11/22/72/1040112272.db2.gz CEDUOWNZNQUNTH-UHFFFAOYSA-N 1 0 373.413 2.978 20 5 FFBDRO Cc1cc(-c2noc(C[C@H]([NH3+])Cc3ccc([N+](=O)[O-])cc3)n2)cc(C)n1 ZINC001248213852 1040175857 /nfs/dbraw/zinc/17/58/57/1040175857.db2.gz IWBCNHLWVFLGMW-OAHLLOKOSA-N 1 0 353.382 2.769 20 5 FFBDRO CN(C)c1cccc(-c2noc(C[C@H]([NH3+])Cc3ccc([N+](=O)[O-])cc3)n2)c1 ZINC001248213874 1040176385 /nfs/dbraw/zinc/17/63/85/1040176385.db2.gz JTCDRNRJXTYZRW-OAHLLOKOSA-N 1 0 367.409 2.823 20 5 FFBDRO [NH3+][C@H](Cc1nc(-c2cccn3ccnc23)no1)c1cccc([N+](=O)[O-])c1 ZINC001249278715 1040663787 /nfs/dbraw/zinc/66/37/87/1040663787.db2.gz NZLICVKKJSJYPT-CQSZACIVSA-N 1 0 350.338 2.535 20 5 FFBDRO [NH3+][C@H](Cc1nc(-c2ccc3c(c2)OCCO3)no1)c1cccc([N+](=O)[O-])c1 ZINC001249278722 1040665064 /nfs/dbraw/zinc/66/50/64/1040665064.db2.gz OSVIQONEGWOEHL-CQSZACIVSA-N 1 0 368.349 2.659 20 5 FFBDRO COCOc1ccccc1-c1noc(C[C@@H]([NH3+])c2ccc([N+](=O)[O-])cc2)n1 ZINC001249342327 1040691704 /nfs/dbraw/zinc/69/17/04/1040691704.db2.gz KYRJBTHVSIQOCZ-OAHLLOKOSA-N 1 0 370.365 2.870 20 5 FFBDRO COC(=O)[C@@H]1CCC[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254466628 1040733191 /nfs/dbraw/zinc/73/31/91/1040733191.db2.gz IXYZFRFTOMUOOQ-GDBMZVCRSA-N 1 0 361.442 2.885 20 5 FFBDRO [NH3+]C[C@H]1COc2ccccc2N1C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254469222 1040735553 /nfs/dbraw/zinc/73/55/53/1040735553.db2.gz ICEXMDFVGMOKLZ-SFHVURJKSA-N 1 0 368.437 2.790 20 5 FFBDRO CCOC(=O)[C@@H]1CCCC[N@@H+]1C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254479733 1040744992 /nfs/dbraw/zinc/74/49/92/1040744992.db2.gz JXAHPTNEEHOHQC-SFHVURJKSA-N 1 0 361.442 2.981 20 5 FFBDRO COC(=O)CC[C@@H]1CC[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254480162 1040747865 /nfs/dbraw/zinc/74/78/65/1040747865.db2.gz WQCOAIDYONJFQR-OAHLLOKOSA-N 1 0 361.442 2.839 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CC[C@H](Oc4ncccn4)C3)CC2)cc1 ZINC001254483746 1040749260 /nfs/dbraw/zinc/74/92/60/1040749260.db2.gz XKPQKPWXBNYJHN-SFHVURJKSA-N 1 0 369.425 2.507 20 5 FFBDRO Cc1ccc(Nc2ccc(N3CC[NH+](CCO)CC3)cc2)cc1[N+](=O)[O-] ZINC001213666684 1040774742 /nfs/dbraw/zinc/77/47/42/1040774742.db2.gz AQSMAAZSFYUWQG-UHFFFAOYSA-N 1 0 356.426 2.761 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@]2(CCN2c2ncccn2)C1 ZINC001254562717 1040800377 /nfs/dbraw/zinc/80/03/77/1040800377.db2.gz SYPSZJTYARKWOI-DNVCBOLYSA-N 1 0 353.426 2.671 20 5 FFBDRO CCC1=NC2(CC[NH+]([C@@H](C)Cc3ccccc3[N+](=O)[O-])CC2)C(=O)N1C ZINC001254570868 1040807484 /nfs/dbraw/zinc/80/74/84/1040807484.db2.gz QGIMRUHSXUIFIC-AWEZNQCLSA-N 1 0 358.442 2.641 20 5 FFBDRO [NH3+][C@H](CO)Cc1cn([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)c2ccccc12 ZINC001254585836 1040818557 /nfs/dbraw/zinc/81/85/57/1040818557.db2.gz XPCRHSOARBDQLW-WMZOPIPTSA-N 1 0 351.406 2.752 20 5 FFBDRO [NH3+][C@H]1CC[C@H](N(c2ncccn2)[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254585692 1040818660 /nfs/dbraw/zinc/81/86/60/1040818660.db2.gz DZJDEZWBTCAWKG-BQFCYCMXSA-N 1 0 353.426 2.629 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]Cc1cc(OC3CCOCC3)ccn1)C2 ZINC001254587341 1040818675 /nfs/dbraw/zinc/81/86/75/1040818675.db2.gz PIESJCPMMUIDRC-MRXNPFEDSA-N 1 0 369.421 2.805 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H](N(c1ccc(F)cn1)C1CC[NH2+]CC1)C2 ZINC001254610542 1040839124 /nfs/dbraw/zinc/83/91/24/1040839124.db2.gz KQVIDGHLCGDTGS-GOSISDBHSA-N 1 0 356.401 2.855 20 5 FFBDRO COc1cc(Nc2cc([N+](=O)[O-])cnc2C)ccc1N1CC[NH+](C)CC1 ZINC001249559134 1040867142 /nfs/dbraw/zinc/86/71/42/1040867142.db2.gz MJKXRPODFLRACI-UHFFFAOYSA-N 1 0 357.414 2.802 20 5 FFBDRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)c1cc([N+](=O)[O-])cc2ccccc21 ZINC001261813687 1041433115 /nfs/dbraw/zinc/43/31/15/1041433115.db2.gz BUKJADFVYSYFFL-MRXNPFEDSA-N 1 0 369.421 2.731 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(C[NH2+][C@@H]2COCC[C@H]2O)o1 ZINC001261851443 1041447026 /nfs/dbraw/zinc/44/70/26/1041447026.db2.gz UIMBHTAAEKHBEW-UKRRQHHQSA-N 1 0 352.774 2.748 20 5 FFBDRO O=[N+]([O-])c1ccc(F)c(-c2nc(-c3ccc4c(n3)CC[NH2+]C4)no2)c1F ZINC001215607445 1041837618 /nfs/dbraw/zinc/83/76/18/1041837618.db2.gz OVUVSOCPKBZOHO-UHFFFAOYSA-N 1 0 359.292 2.631 20 5 FFBDRO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC001263107911 1042107942 /nfs/dbraw/zinc/10/79/42/1042107942.db2.gz JCNHUEUHLZBYHE-QGZVFWFLSA-N 1 0 351.834 2.783 20 5 FFBDRO C[N@@H+]1CC[C@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(F)cc1 ZINC001319574568 1045200530 /nfs/dbraw/zinc/20/05/30/1045200530.db2.gz ZUYHLWHXKXHYIN-ROUUACIJSA-N 1 0 372.400 2.979 20 5 FFBDRO Cc1cc([N+](=O)[O-])cnc1NCc1cccc(CN2CC[NH+](C)CC2)c1 ZINC001319746782 1045260181 /nfs/dbraw/zinc/26/01/81/1045260181.db2.gz AQESLYJFHXPABT-UHFFFAOYSA-N 1 0 355.442 2.658 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(C[NH2+]CCCOCCO)o1 ZINC001320047254 1045337129 /nfs/dbraw/zinc/33/71/29/1045337129.db2.gz IPLPRMJINRTFQJ-UHFFFAOYSA-N 1 0 354.790 2.997 20 5 FFBDRO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC001323757742 1045713406 /nfs/dbraw/zinc/71/34/06/1045713406.db2.gz VJAHGXDTBHQRSS-LSDHHAIUSA-N 1 0 354.838 2.920 20 5 FFBDRO C[NH+]1CCN(c2ccccc2C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)CC1 ZINC001322405387 1046069939 /nfs/dbraw/zinc/06/99/39/1046069939.db2.gz WSQFAARNJWHSLL-UHFFFAOYSA-N 1 0 358.373 2.738 20 5 FFBDRO Cc1cncc([N+](=O)[O-])c1N1CCC([NH2+]CCOc2ccccc2)CC1 ZINC001322721349 1046196495 /nfs/dbraw/zinc/19/64/95/1046196495.db2.gz CKZAKBLKLMGPDJ-UHFFFAOYSA-N 1 0 356.426 2.936 20 5 FFBDRO COCC[C@H](CO)[NH2+]Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001325129205 1046385181 /nfs/dbraw/zinc/38/51/81/1046385181.db2.gz RNJHNMCSHYFJNG-GFCCVEGCSA-N 1 0 354.790 2.995 20 5 FFBDRO CC(C)N(CC[N@H+](C)Cc1cccc(Cl)c1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001284533237 1046564904 /nfs/dbraw/zinc/56/49/04/1046564904.db2.gz HSIXUVPOYTWEJK-HZPDHXFCSA-N 1 0 353.850 2.674 20 5 FFBDRO O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001331552415 1047998471 /nfs/dbraw/zinc/99/84/71/1047998471.db2.gz FRJNUOOQOSILLZ-GOSISDBHSA-N 1 0 358.442 2.679 20 5 FFBDRO COc1ccc([C@@H]2C[NH2+]CCN2C(=O)Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC001332034423 1048221511 /nfs/dbraw/zinc/22/15/11/1048221511.db2.gz IGQGWBAJWVWBSW-IBGZPJMESA-N 1 0 369.421 2.627 20 5 FFBDRO C[C@H](CNC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)[N@@H+]1CCCC[C@@H]1C ZINC001540833307 1071015287 /nfs/dbraw/zinc/01/52/87/1071015287.db2.gz LUMTUHRXJKXOCW-UONOGXRCSA-N 1 0 371.441 2.978 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(c2cc[nH+]cc2C2CC2)CC1 ZINC001329730516 1048877182 /nfs/dbraw/zinc/87/71/82/1048877182.db2.gz GIXFCAVNPLVSFM-UHFFFAOYSA-N 1 0 352.394 2.830 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3cccc([N+](=O)[O-])c3)C[C@H]2C1 ZINC001333928662 1049171889 /nfs/dbraw/zinc/17/18/89/1049171889.db2.gz KRUNVKIGAQXEBF-LLLOQXOTSA-N 1 0 357.454 2.887 20 5 FFBDRO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001330517087 1049188191 /nfs/dbraw/zinc/18/81/91/1049188191.db2.gz ITDFTPFANUWLMT-WMLDXEAASA-N 1 0 357.414 2.588 20 5 FFBDRO CC(C)[N@H+](CCO)CC1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001307214956 1050080402 /nfs/dbraw/zinc/08/04/02/1050080402.db2.gz ZYPVNNIEPQXIQI-UHFFFAOYSA-N 1 0 357.401 2.792 20 5 FFBDRO CC1(C)CCC[N@H+](CCNC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)C1 ZINC001297065001 1050117429 /nfs/dbraw/zinc/11/74/29/1050117429.db2.gz ARGYWLLQLURGGB-UHFFFAOYSA-N 1 0 354.838 2.682 20 5 FFBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001302177675 1051053714 /nfs/dbraw/zinc/05/37/14/1051053714.db2.gz HTVCKZNXUCUZOZ-IBWPDUFMSA-N 1 0 351.406 2.651 20 5 FFBDRO [NH3+][C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[C@@H]1C(F)(F)F ZINC001342492243 1051094211 /nfs/dbraw/zinc/09/42/11/1051094211.db2.gz OORNSWGKAURUOP-ONGXEEELSA-N 1 0 351.712 2.600 20 5 FFBDRO O=C(NC[C@]12CCC[C@H]1[NH2+]CC2)c1ccc(Br)cc1[N+](=O)[O-] ZINC001342678872 1051289353 /nfs/dbraw/zinc/28/93/53/1051289353.db2.gz ITHXRNWHONVDCS-UKRRQHHQSA-N 1 0 368.231 2.619 20 5 FFBDRO CC[N@@H+]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C(C)(C)C1 ZINC001304042378 1051510430 /nfs/dbraw/zinc/51/04/30/1051510430.db2.gz HUJMBKPGDYLARE-CYBMUJFWSA-N 1 0 357.357 2.656 20 5 FFBDRO O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CCC([NH2+]C2CCC2)CC1 ZINC001304695117 1051671962 /nfs/dbraw/zinc/67/19/62/1051671962.db2.gz BCJZBGZEBHDGAO-UHFFFAOYSA-N 1 0 370.409 2.595 20 5 FFBDRO O=C(NC[C@@H]1CCCCC[NH2+]1)c1ccc(Br)cc1[N+](=O)[O-] ZINC001343084761 1051701766 /nfs/dbraw/zinc/70/17/66/1051701766.db2.gz ISFPOTZAPJACDC-NSHDSACASA-N 1 0 356.220 2.619 20 5 FFBDRO C[N@@H+]1CCC[C@@H]1CNc1c2ccc(Br)cc2ncc1[N+](=O)[O-] ZINC001307166412 1052261047 /nfs/dbraw/zinc/26/10/47/1052261047.db2.gz VQAPWUSIVGCJMC-LLVKDONJSA-N 1 0 365.231 2.834 20 5 FFBDRO C[C@H]1CN(c2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)CC[N@@H+]1C1CCCC1 ZINC001307210655 1052269299 /nfs/dbraw/zinc/26/92/99/1052269299.db2.gz UFPGRWWTDFDKRM-AWEZNQCLSA-N 1 0 372.469 2.940 20 5 FFBDRO CC(C)(C)OC(=O)NC[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001307666763 1052332926 /nfs/dbraw/zinc/33/29/26/1052332926.db2.gz HAEBSGVRDLRESA-MRXNPFEDSA-N 1 0 365.430 2.867 20 5 FFBDRO COC(=O)CC[C@@H]1CCC[N@H+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC001308052649 1052394849 /nfs/dbraw/zinc/39/48/49/1052394849.db2.gz URLYGRNCCUOXBR-ZDUSSCGKSA-N 1 0 374.397 2.810 20 5 FFBDRO [NH3+][C@@H]1c2ccccc2C[C@H]1NC(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC001345383460 1052416534 /nfs/dbraw/zinc/41/65/34/1052416534.db2.gz YQANCKAEQFDCJK-CRAIPNDOSA-N 1 0 359.813 2.922 20 5 FFBDRO COc1ccc(C[NH2+][C@H]2COc3c(F)cc(F)cc3C2)cc1[N+](=O)[O-] ZINC001308548862 1052467816 /nfs/dbraw/zinc/46/78/16/1052467816.db2.gz KXGZDMHQMHWCOE-CYBMUJFWSA-N 1 0 350.321 2.975 20 5 FFBDRO Cc1cc(C(=O)N[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc([N+](=O)[O-])c1 ZINC001345560175 1052510167 /nfs/dbraw/zinc/51/01/67/1052510167.db2.gz NJGBETPCFNYBAT-YLJYHZDGSA-N 1 0 367.405 2.889 20 5 FFBDRO COc1ccc(NC(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)c([N+](=O)[O-])c1 ZINC001346261526 1052808138 /nfs/dbraw/zinc/80/81/38/1052808138.db2.gz XOGGUXHHHFWQSL-CQSZACIVSA-N 1 0 362.430 2.799 20 5 FFBDRO O=C(N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)c1ccc([N+](=O)[O-])[nH]1 ZINC001334858729 1053119082 /nfs/dbraw/zinc/11/90/82/1053119082.db2.gz MKSADZHKHABNEU-IXDOHACOSA-N 1 0 368.437 2.953 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)C[C@@H]2C1 ZINC001335234976 1053266637 /nfs/dbraw/zinc/26/66/37/1053266637.db2.gz PFGTWSJLUQOYTR-HLLBOEOZSA-N 1 0 372.469 2.971 20 5 FFBDRO C[C@@](O)(C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1Cl ZINC001335412610 1053346536 /nfs/dbraw/zinc/34/65/36/1053346536.db2.gz PYWBMHJFXLPZDO-DLBZAZTESA-N 1 0 350.802 2.779 20 5 FFBDRO CC[NH+](CC)C1CCN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC001335506865 1053404021 /nfs/dbraw/zinc/40/40/21/1053404021.db2.gz PBLQGXUWEZCQSF-UHFFFAOYSA-N 1 0 351.422 2.999 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@H]2C1 ZINC001336092375 1053763179 /nfs/dbraw/zinc/76/31/79/1053763179.db2.gz BDGBBLYYJYKVIG-IHRRRGAJSA-N 1 0 362.430 2.797 20 5 FFBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)NCCCC(F)F)c2)CC1 ZINC001336444884 1053995074 /nfs/dbraw/zinc/99/50/74/1053995074.db2.gz OVJXAQUUDNZSRS-UHFFFAOYSA-N 1 0 371.388 2.513 20 5 FFBDRO Cc1cc(N[C@@H](C)[C@H]2C[N@H+](C)CCN2C)c(Br)cc1[N+](=O)[O-] ZINC001336725223 1054168671 /nfs/dbraw/zinc/16/86/71/1054168671.db2.gz CYGLARUHTFHICA-XHDPSFHLSA-N 1 0 371.279 2.712 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CCN1CCC[N@H+](Cc2ccc(C)cc2)CC1 ZINC001336770926 1054212478 /nfs/dbraw/zinc/21/24/78/1054212478.db2.gz PPSHYPFOJIMCSD-UHFFFAOYSA-N 1 0 357.458 2.616 20 5 FFBDRO C[C@H]1CN(c2ncc([N+](=O)[O-])c3ccccc32)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC001337387054 1054709526 /nfs/dbraw/zinc/70/95/26/1054709526.db2.gz HPRGDVOPSADTJH-YJBOKZPZSA-N 1 0 369.469 2.605 20 5 FFBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)[C@@H]3Cc4ccccc43)c2)CC1 ZINC001337580405 1054863938 /nfs/dbraw/zinc/86/39/38/1054863938.db2.gz PKEAULZZNIGVAO-QGZVFWFLSA-N 1 0 366.421 2.625 20 5 FFBDRO CN1CC[C@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(F)cc1 ZINC001348950095 1055014596 /nfs/dbraw/zinc/01/45/96/1055014596.db2.gz BETUMQMXYFPRRB-OTWHNJEPSA-N 1 0 359.401 2.802 20 5 FFBDRO COc1cc(C(=O)N2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)cc([N+](=O)[O-])c1C ZINC001337885229 1055083171 /nfs/dbraw/zinc/08/31/71/1055083171.db2.gz LUZKRNYBXJGRDZ-BPUTZDHNSA-N 1 0 361.442 2.714 20 5 FFBDRO Cn1c(-c2ccc([N+](=O)[O-])s2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001338074247 1055209500 /nfs/dbraw/zinc/20/95/00/1055209500.db2.gz YQBVMMHSMGLVEI-GFCCVEGCSA-N 1 0 362.459 2.516 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)c2nnc(-c3cccc([N+](=O)[O-])c3C)n2C)[C@H](C)C1 ZINC001338153339 1055275874 /nfs/dbraw/zinc/27/58/74/1055275874.db2.gz LLWFCSMTEAHQMM-CJNGLKHVSA-N 1 0 372.473 2.865 20 5 FFBDRO Cn1c(C2CC[NH+](C)CC2)nnc1N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001338543952 1055608446 /nfs/dbraw/zinc/60/84/46/1055608446.db2.gz YOPIMTSJNXBEBK-UHFFFAOYSA-N 1 0 370.457 2.702 20 5 FFBDRO COc1ccc(OC)c(NC(=[NH2+])NCc2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000849064867 1055617793 /nfs/dbraw/zinc/61/77/93/1055617793.db2.gz GDYLWCNSWDJFJQ-UHFFFAOYSA-N 1 0 360.370 2.757 20 5 FFBDRO COc1ccccc1CNC(=[NH2+])NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000849081347 1055632518 /nfs/dbraw/zinc/63/25/18/1055632518.db2.gz TUYVGKKHIJMXIP-UHFFFAOYSA-N 1 0 367.409 2.941 20 5 FFBDRO CC[NH+](CC)C1CCN(Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)CC1 ZINC001350480027 1055793061 /nfs/dbraw/zinc/79/30/61/1055793061.db2.gz MWVZWJQWLBGRMR-UHFFFAOYSA-N 1 0 358.446 2.617 20 5 FFBDRO CC[NH+](CC)CC[C@@H](CO)Nc1ncnc2c(Cl)cc([N+](=O)[O-])cc12 ZINC001350480453 1055795124 /nfs/dbraw/zinc/79/51/24/1055795124.db2.gz SAPZRQUUKKKCMX-NSHDSACASA-N 1 0 367.837 2.696 20 5 FFBDRO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])N1CC[C@]2(C1)CCC[NH2+]C2 ZINC001357462160 1055910230 /nfs/dbraw/zinc/91/02/30/1055910230.db2.gz CIFFJPFRVTVTHN-QGZVFWFLSA-N 1 0 351.834 2.783 20 5 FFBDRO O=C(c1ccc2c(c1)OCC[NH2+]C2)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001357485859 1055921973 /nfs/dbraw/zinc/92/19/73/1055921973.db2.gz JSRHBVHSMUMQHA-UHFFFAOYSA-N 1 0 367.405 2.882 20 5 FFBDRO CC[NH+](CC)CC[C@H](NC(=O)c1c([N+](=O)[O-])c(C)nn1C)c1ccccc1 ZINC001350942766 1056010554 /nfs/dbraw/zinc/01/05/54/1056010554.db2.gz UZOWUCOKDIEVMF-INIZCTEOSA-N 1 0 373.457 2.840 20 5 FFBDRO C[N@@H+]1CCCC[C@@H]1CNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC001339038204 1056037166 /nfs/dbraw/zinc/03/71/66/1056037166.db2.gz SDKGEBHQPKGFHX-SNVBAGLBSA-N 1 0 356.220 2.571 20 5 FFBDRO CCc1cc(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)c2cc([N+](=O)[O-])ccc2n1 ZINC001357970466 1056084375 /nfs/dbraw/zinc/08/43/75/1056084375.db2.gz WAWODVMSIOUFOK-GOSISDBHSA-N 1 0 356.426 2.939 20 5 FFBDRO C[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](C)C1)[NH+](C)C ZINC001544324785 1071628091 /nfs/dbraw/zinc/62/80/91/1071628091.db2.gz OEGFVCHVUPANCR-UONOGXRCSA-N 1 0 358.446 2.650 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)NC2CCN(c3cc[nH+]cc3)CC2)c1F ZINC001518998047 1058581527 /nfs/dbraw/zinc/58/15/27/1058581527.db2.gz HOKWEWPOJXPRCW-UHFFFAOYSA-N 1 0 358.373 2.836 20 5 FFBDRO COc1cc(C[NH+](C)C)ccc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001451094110 1059083046 /nfs/dbraw/zinc/08/30/46/1059083046.db2.gz PJRBNCUGHHFSEQ-UHFFFAOYSA-N 1 0 374.353 2.826 20 5 FFBDRO CN(CC[NH+]1CCCCC1)C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC001452677367 1059271180 /nfs/dbraw/zinc/27/11/80/1059271180.db2.gz IFIHFYGWMJSFCV-UHFFFAOYSA-N 1 0 369.849 2.961 20 5 FFBDRO O=C(NC[C@@]12CC[N@H+](C1)CCC2)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001520323094 1059610516 /nfs/dbraw/zinc/61/05/16/1059610516.db2.gz AKSRUHWRTQKGAX-OAHLLOKOSA-N 1 0 357.332 2.829 20 5 FFBDRO O=C1[C@H](c2ccc([N+](=O)[O-])cc2)CCN1C[NH+]1CCc2ccccc2CC1 ZINC000848480906 1060114005 /nfs/dbraw/zinc/11/40/05/1060114005.db2.gz UODSUXACTGEQBK-FQEVSTJZSA-N 1 0 365.433 2.969 20 5 FFBDRO C[N@@H+]1CCC[C@@H]2CN(Cn3cc(-c4ccccc4[N+](=O)[O-])cn3)CC[C@@H]21 ZINC000848483118 1060121541 /nfs/dbraw/zinc/12/15/41/1060121541.db2.gz YOPUFPMYXUHPKC-QAPCUYQASA-N 1 0 355.442 2.832 20 5 FFBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C1 ZINC000848483147 1060122159 /nfs/dbraw/zinc/12/21/59/1060122159.db2.gz YUPQNXYUUYPKQJ-YJBOKZPZSA-N 1 0 355.442 2.832 20 5 FFBDRO O=C1[C@@H](c2ccc([N+](=O)[O-])cc2)CCN1CN1CC[C@@H](c2ccccn2)C1 ZINC000848487805 1060138102 /nfs/dbraw/zinc/13/81/02/1060138102.db2.gz XLFLJOFZAUPGIC-SJLPKXTDSA-N 1 0 366.421 2.753 20 5 FFBDRO Cc1cnc(OC2CCN(Cn3ncc4ccc([N+](=O)[O-])cc43)CC2)nc1 ZINC000848493931 1060154563 /nfs/dbraw/zinc/15/45/63/1060154563.db2.gz MTIVHBAVPWCRCK-UHFFFAOYSA-N 1 0 368.397 2.544 20 5 FFBDRO COc1cc(OC)cc([C@H](O)C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000848529092 1060224423 /nfs/dbraw/zinc/22/44/23/1060224423.db2.gz RLUUIEYVIZPOHP-IEBWSBKVSA-N 1 0 358.394 2.923 20 5 FFBDRO CCN(CC)C(=O)C[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC001458453525 1060592897 /nfs/dbraw/zinc/59/28/97/1060592897.db2.gz IRKJBYMQBRPSQS-UHFFFAOYSA-N 1 0 368.865 2.993 20 5 FFBDRO C[NH+]1CCC(n2cc(Nc3c4cc(F)ccc4ncc3[N+](=O)[O-])cn2)CC1 ZINC001458537000 1060615470 /nfs/dbraw/zinc/61/54/70/1060615470.db2.gz RQTXYUMKIBVJQN-UHFFFAOYSA-N 1 0 370.388 2.911 20 5 FFBDRO COc1ccc(C[C@@H]2CC[N@@H+]2C[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC001459656045 1060788688 /nfs/dbraw/zinc/78/86/88/1060788688.db2.gz OTECNLBVYGBCKH-DLBZAZTESA-N 1 0 372.421 2.660 20 5 FFBDRO CC[C@@H](C)[C@H]([NH2+]CC[N+](=O)[O-])C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001459852833 1060832979 /nfs/dbraw/zinc/83/29/79/1060832979.db2.gz ZQYGEZQLVXWSCX-APWZRJJASA-N 1 0 361.486 2.749 20 5 FFBDRO CCOC(=O)C[C@@](C)([NH2+]Cc1cc(C(=O)OC)ccc1[N+](=O)[O-])C(C)C ZINC001459993932 1060868805 /nfs/dbraw/zinc/86/88/05/1060868805.db2.gz HLOCWECQJOOQKW-GOSISDBHSA-N 1 0 366.414 2.839 20 5 FFBDRO CCC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@H](C)C(=O)OCC ZINC001460048868 1060882877 /nfs/dbraw/zinc/88/28/77/1060882877.db2.gz GEQAYAMAIQXDPN-GFCCVEGCSA-N 1 0 369.393 2.726 20 5 FFBDRO C[C@H](C[N@H+](C)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])CC(C)(C)C ZINC001460296179 1060947711 /nfs/dbraw/zinc/94/77/11/1060947711.db2.gz OVCSOJVADHDUAU-AWEZNQCLSA-N 1 0 371.503 2.877 20 5 FFBDRO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])N1CCC[C@]2(CC[NH2+]C2)C1 ZINC001521540242 1060947978 /nfs/dbraw/zinc/94/79/78/1060947978.db2.gz CMUGYIZDFISTPQ-QGZVFWFLSA-N 1 0 351.834 2.783 20 5 FFBDRO CCC(CC)[C@@H](CNS(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C)[NH+](C)C ZINC001475200698 1060995726 /nfs/dbraw/zinc/99/57/26/1060995726.db2.gz LCPGMEKCPOAACS-MRXNPFEDSA-N 1 0 371.503 2.856 20 5 FFBDRO COC(=O)c1ccc(C[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)cc1C ZINC001461687939 1061378296 /nfs/dbraw/zinc/37/82/96/1061378296.db2.gz OWOQPQFFWSILFO-LJQANCHMSA-N 1 0 358.394 2.687 20 5 FFBDRO COc1c(O)ccc(C[NH2+]Cc2c[nH]c(=O)c3ccccc23)c1[N+](=O)[O-] ZINC001462592584 1061684878 /nfs/dbraw/zinc/68/48/78/1061684878.db2.gz FKLBDOOWUFUMKT-UHFFFAOYSA-N 1 0 355.350 2.853 20 5 FFBDRO O=C(NCc1cccc2c1CC[NH2+]C2)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001522264869 1061832920 /nfs/dbraw/zinc/83/29/20/1061832920.db2.gz LWGVCVCJLQZJSE-OALUTQOASA-N 1 0 351.406 2.660 20 5 FFBDRO CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001437561167 1062881192 /nfs/dbraw/zinc/88/11/92/1062881192.db2.gz FITVQVKDEYNLQW-HZPDHXFCSA-N 1 0 353.850 2.676 20 5 FFBDRO O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)NCC[N@@H+]1CCc2ccccc2C1 ZINC001441050807 1063391600 /nfs/dbraw/zinc/39/16/00/1063391600.db2.gz RTBJDUNUCPIZNY-UHFFFAOYSA-N 1 0 373.840 2.965 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)NCC2(c3ccccc3)CC[NH+](C)CC2)n1 ZINC001533994986 1063468997 /nfs/dbraw/zinc/46/89/97/1063468997.db2.gz KDWCYFYALGBQQL-UHFFFAOYSA-N 1 0 368.437 2.692 20 5 FFBDRO C[C@H]1CN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CC[N@@H+](C2CC2)C1 ZINC001468522756 1063999658 /nfs/dbraw/zinc/99/96/58/1063999658.db2.gz OJIUODUOSRKDCY-OAHLLOKOSA-N 1 0 357.454 2.959 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001470964452 1064510137 /nfs/dbraw/zinc/51/01/37/1064510137.db2.gz XEHFDCCPMYBSEL-KRWDZBQOSA-N 1 0 353.422 2.868 20 5 FFBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001471030880 1064530811 /nfs/dbraw/zinc/53/08/11/1064530811.db2.gz OBGMUKUVZNQCOQ-HOCLYGCPSA-N 1 0 368.437 2.675 20 5 FFBDRO CC(C)(C[NH3+])C1CCN(C(=O)CSc2ccccc2[N+](=O)[O-])CC1 ZINC001575311470 1078128109 /nfs/dbraw/zinc/12/81/09/1078128109.db2.gz WRMDQASGWNNTAM-UHFFFAOYSA-N 1 0 351.472 2.910 20 5 FFBDRO CC(C)c1nnc(N(C)CCc2ccccc2[N+](=O)[O-])n1CC[NH2+]C1CC1 ZINC001575881061 1078172527 /nfs/dbraw/zinc/17/25/27/1078172527.db2.gz VSTFUSPPRCJRDA-UHFFFAOYSA-N 1 0 372.473 2.741 20 5 FFBDRO CC(C)c1nnc(N(C)CCc2ccccc2[N+](=O)[O-])n1C[C@@H]([NH3+])C(C)C ZINC001575879067 1078172713 /nfs/dbraw/zinc/17/27/13/1078172713.db2.gz MHODWMXDGFSVAR-MRXNPFEDSA-N 1 0 374.489 2.972 20 5 FFBDRO COc1cccc(C[C@H]2CN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC[NH2+]2)c1 ZINC001472906465 1065172573 /nfs/dbraw/zinc/17/25/73/1065172573.db2.gz LWBCPONQUBFVGP-AWEZNQCLSA-N 1 0 367.409 2.501 20 5 FFBDRO CC(C)(C)OC(=O)N[C@H]1CCCCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC001473708445 1065326837 /nfs/dbraw/zinc/32/68/37/1065326837.db2.gz CIJHAPCNIRBNPV-AWEZNQCLSA-N 1 0 367.450 2.561 20 5 FFBDRO C[C@@]([NH3+])(C(=O)NCc1ccnc2ccccc12)c1cccc([N+](=O)[O-])c1 ZINC001576084823 1078193879 /nfs/dbraw/zinc/19/38/79/1078193879.db2.gz FRORFQLVCSAAEJ-IBGZPJMESA-N 1 0 350.378 2.633 20 5 FFBDRO CC(C)[C@H]1C[C@H]([NH+]2CCCC2)CN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001473877771 1065402948 /nfs/dbraw/zinc/40/29/48/1065402948.db2.gz QLPONLKIUGTSOT-MAUKXSAKSA-N 1 0 360.458 2.728 20 5 FFBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NCc1c(Br)cccc1[N+](=O)[O-] ZINC001474060809 1065449004 /nfs/dbraw/zinc/44/90/04/1065449004.db2.gz BJPMDCKOBHMODW-QMTHXVAHSA-N 1 0 354.248 2.930 20 5 FFBDRO COc1ccc2c(c1)C[C@H]([NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1)CC2 ZINC001474235113 1065474282 /nfs/dbraw/zinc/47/42/82/1065474282.db2.gz LXSDFDLWFOTNHP-YLJYHZDGSA-N 1 0 356.422 2.958 20 5 FFBDRO Cc1cc(S(=O)(=O)NCC2([NH+](C)C)CCCCC2)c([N+](=O)[O-])s1 ZINC001474786344 1065606868 /nfs/dbraw/zinc/60/68/68/1065606868.db2.gz SANPWXAIVKSOFA-UHFFFAOYSA-N 1 0 361.489 2.508 20 5 FFBDRO Cc1ccc(S(=O)(=O)NC[C@H](C2CCCCC2)[NH+](C)C)cc1[N+](=O)[O-] ZINC001474825200 1065618240 /nfs/dbraw/zinc/61/82/40/1065618240.db2.gz PAOYZEKPUSZMRZ-QGZVFWFLSA-N 1 0 369.487 2.692 20 5 FFBDRO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC001577476233 1078366317 /nfs/dbraw/zinc/36/63/17/1078366317.db2.gz YWRPCFZZQZKCDO-ZIAGYGMSSA-N 1 0 355.435 2.998 20 5 FFBDRO CCCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CC2(CC2)C[NH2+]1 ZINC001577500308 1078368917 /nfs/dbraw/zinc/36/89/17/1078368917.db2.gz XWBKCBDAMLVQTK-HNNXBMFYSA-N 1 0 370.457 2.842 20 5 FFBDRO CCC[NH2+]CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H]2CCC[C@H]21 ZINC001577561586 1078376490 /nfs/dbraw/zinc/37/64/90/1078376490.db2.gz FEVPCIMVDVRZRG-NVXWUHKLSA-N 1 0 370.457 2.842 20 5 FFBDRO C[NH2+]CCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)Cc1ccoc1 ZINC001578694243 1078518377 /nfs/dbraw/zinc/51/83/77/1078518377.db2.gz MFMSWWMTEAKQNT-UHFFFAOYSA-N 1 0 370.413 2.692 20 5 FFBDRO COc1ccc([C@@H]2C[NH2+]CCN2C(=O)c2cc(C)cc([N+](=O)[O-])c2)cc1 ZINC001579203051 1078587508 /nfs/dbraw/zinc/58/75/08/1078587508.db2.gz MNZPOIHLMFCMGA-SFHVURJKSA-N 1 0 355.394 2.699 20 5 FFBDRO C[N@H+](CCc1cccc(-c2nn[nH]n2)c1)Cc1ccc([N+](=O)[O-])cc1F ZINC001579231862 1078595344 /nfs/dbraw/zinc/59/53/44/1078595344.db2.gz NYWMTYUZYDZIEO-UHFFFAOYSA-N 1 0 356.361 2.589 20 5 FFBDRO C[C@@H](NC(=O)Nc1ccc2c(c1)OCC[NH2+]C2)c1ccc([N+](=O)[O-])cc1 ZINC001579412911 1078627302 /nfs/dbraw/zinc/62/73/02/1078627302.db2.gz CKRNKZJZQORNON-GFCCVEGCSA-N 1 0 356.382 2.960 20 5 FFBDRO C[C@H](NC(=O)[C@@H]([NH3+])Cc1ccc2cc[nH]c2c1)c1ccccc1[N+](=O)[O-] ZINC001579480322 1078633354 /nfs/dbraw/zinc/63/33/54/1078633354.db2.gz JMAXXQPQHQWZBV-LRDDRELGSA-N 1 0 352.394 2.823 20 5 FFBDRO C[C@H](NC(=O)COc1ccc(CCC[NH3+])cc1)c1ccccc1[N+](=O)[O-] ZINC001579481296 1078634665 /nfs/dbraw/zinc/63/46/65/1078634665.db2.gz SZARESZBSYASMQ-AWEZNQCLSA-N 1 0 357.410 2.742 20 5 FFBDRO [NH3+][C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CC=CCC2)C1 ZINC001580189220 1078762219 /nfs/dbraw/zinc/76/22/19/1078762219.db2.gz JPDATDWGAVAKEX-ZBFHGGJFSA-N 1 0 368.441 2.747 20 5 FFBDRO [NH3+]C[C@@H](C(=O)NCc1cc([N+](=O)[O-])ccc1Cl)c1ccc(F)cc1 ZINC001580215284 1078766906 /nfs/dbraw/zinc/76/69/06/1078766906.db2.gz HETAVLYVVQSESE-CQSZACIVSA-N 1 0 351.765 2.746 20 5 FFBDRO [NH3+]C[C@]12CC[C@H]1CCCN2C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC001580250962 1078775090 /nfs/dbraw/zinc/77/50/90/1078775090.db2.gz XYKXQTYTQRSELD-BDJLRTHQSA-N 1 0 355.341 2.540 20 5 FFBDRO [NH3+]C[C@]12CC[C@@H]1CCCN2C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC001580250964 1078775148 /nfs/dbraw/zinc/77/51/48/1078775148.db2.gz XYKXQTYTQRSELD-MEDUHNTESA-N 1 0 355.341 2.540 20 5 FFBDRO [NH3+]CCN(Cc1cccc(Cl)c1)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC001580309263 1078784275 /nfs/dbraw/zinc/78/42/75/1078784275.db2.gz AYIWEYNYQHYANY-UHFFFAOYSA-N 1 0 351.765 2.988 20 5 FFBDRO O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CCC2(C1)CC[NH2+]CC2 ZINC001580812097 1078869265 /nfs/dbraw/zinc/86/92/65/1078869265.db2.gz OWICJHGUFNAZFF-UHFFFAOYSA-N 1 0 357.332 2.829 20 5 FFBDRO O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N[C@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001580875763 1078881784 /nfs/dbraw/zinc/88/17/84/1078881784.db2.gz QOIUFZQLAQWEAM-CSMHCCOUSA-N 1 0 352.263 2.949 20 5 FFBDRO C[NH+]1CCC([C@@H]2CCN(C(=O)Cc3ccc(Cl)c([N+](=O)[O-])c3)C2)CC1 ZINC001556094250 1075699914 /nfs/dbraw/zinc/69/99/14/1075699914.db2.gz MWSNSOAGKBFTSP-OAHLLOKOSA-N 1 0 365.861 2.981 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001556734801 1075770046 /nfs/dbraw/zinc/77/00/46/1075770046.db2.gz NGJNHUYFVTWPKJ-BWTSREIZSA-N 1 0 351.406 2.763 20 5 FFBDRO COc1cccc(C[C@H]2CN(C(=O)c3cccc(C)c3[N+](=O)[O-])CC[NH2+]2)c1 ZINC001557764441 1075886131 /nfs/dbraw/zinc/88/61/31/1075886131.db2.gz AJCSTAYHYZGBAA-INIZCTEOSA-N 1 0 369.421 2.569 20 5 FFBDRO O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001557866269 1075902803 /nfs/dbraw/zinc/90/28/03/1075902803.db2.gz RIMJASCYBJUZFK-MRXNPFEDSA-N 1 0 364.405 2.733 20 5 FFBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CCC([NH2+]C3CCC3)CC2)cc1[N+](=O)[O-] ZINC001558709085 1076060543 /nfs/dbraw/zinc/06/05/43/1076060543.db2.gz OJRKMALWRZMALG-UHFFFAOYSA-N 1 0 362.386 2.558 20 5 FFBDRO C[C@H](CNC(=O)[C@@H]1CCN(c2cc[nH+]cc2)C1)c1ccccc1[N+](=O)[O-] ZINC001559039384 1076119020 /nfs/dbraw/zinc/11/90/20/1076119020.db2.gz VICUEIUAJZKGSY-HUUCEWRRSA-N 1 0 354.410 2.736 20 5 FFBDRO CCOc1cc(C[N@H+](CCC(=O)OC)C[C@@H]2CCCO2)ccc1[N+](=O)[O-] ZINC001559546080 1076171450 /nfs/dbraw/zinc/17/14/50/1076171450.db2.gz NMNRICYMVFDZND-HNNXBMFYSA-N 1 0 366.414 2.538 20 5 FFBDRO C[N@H+](CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[C@H]1CCC(C)(C)C1 ZINC001559806941 1076192705 /nfs/dbraw/zinc/19/27/05/1076192705.db2.gz NLANNNBNYJYFDT-SFHVURJKSA-N 1 0 374.485 2.754 20 5 FFBDRO NC(=O)c1ccc(C[N@@H+]2CCCC[C@H]2Cc2ccc(O)cc2)c([N+](=O)[O-])c1 ZINC001560217031 1076248037 /nfs/dbraw/zinc/24/80/37/1076248037.db2.gz PIALFCBDRYYIPL-KRWDZBQOSA-N 1 0 369.421 2.997 20 5 FFBDRO COc1c(O)ccc(C[NH2+][C@@H]2CN(Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC001560736069 1076295046 /nfs/dbraw/zinc/29/50/46/1076295046.db2.gz GAQJCHCNANGZKR-WMLDXEAASA-N 1 0 371.437 2.919 20 5 FFBDRO COc1c(O)ccc(C[N@@H+]2CCCN3c4ccccc4C[C@@H]3C2)c1[N+](=O)[O-] ZINC001560865203 1076304721 /nfs/dbraw/zinc/30/47/21/1076304721.db2.gz SXVYKOYBZOHRPD-MRXNPFEDSA-N 1 0 369.421 2.946 20 5 FFBDRO Cc1cc(C)c(S(=O)(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC001561474304 1076381389 /nfs/dbraw/zinc/38/13/89/1076381389.db2.gz ATOXSZNSVCBZEX-IUODEOHRSA-N 1 0 369.487 2.610 20 5 FFBDRO C[C@@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC001586693109 1079669093 /nfs/dbraw/zinc/66/90/93/1079669093.db2.gz JQFJSSNLHZBXJG-TZMCWYRMSA-N 1 0 363.414 2.658 20 5 FFBDRO C[C@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC001587761207 1079858726 /nfs/dbraw/zinc/85/87/26/1079858726.db2.gz KPPSSFZYUZVZKR-GOEBONIOSA-N 1 0 373.457 2.666 20 5 FFBDRO C[C@@H](Nc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])[C@@H](c1ccccc1)[NH+](C)C ZINC001589982320 1080920480 /nfs/dbraw/zinc/92/04/80/1080920480.db2.gz NCUZVKIEXRNVGW-PXAZEXFGSA-N 1 0 367.413 2.878 20 5 FFBDRO NC(=O)C[C@H]1CCC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000093808463 250045720 /nfs/dbraw/zinc/04/57/20/250045720.db2.gz ONERBNTXQPGQOK-GFCCVEGCSA-N 1 0 360.439 2.806 20 5 FFBDRO O=[N+]([O-])c1cc(I)ccc1NCC[C@@H]1CC[NH2+]C1 ZINC000097349500 250064961 /nfs/dbraw/zinc/06/49/61/250064961.db2.gz WVQIFMJYYQULPF-VIFPVBQESA-N 1 0 361.183 2.611 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCC[C@@H](n4cncn4)C3)o2)c1 ZINC000106217946 250260290 /nfs/dbraw/zinc/26/02/90/250260290.db2.gz CRUOJNRLMIVQCQ-MRXNPFEDSA-N 1 0 368.397 2.721 20 5 FFBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106891400 250296904 /nfs/dbraw/zinc/29/69/04/250296904.db2.gz AZNBMNWLDZCWHU-LLVKDONJSA-N 1 0 373.862 2.543 20 5 FFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000117795428 250361950 /nfs/dbraw/zinc/36/19/50/250361950.db2.gz DTKRWGZZCVQLRR-HNNXBMFYSA-N 1 0 351.834 2.878 20 5 FFBDRO CC[C@@H]([NH2+]Cc1cccc(S(=O)(=O)NC)c1)c1cccc([N+](=O)[O-])c1 ZINC000132037355 251041279 /nfs/dbraw/zinc/04/12/79/251041279.db2.gz DHUOCGHJUFQWGH-QGZVFWFLSA-N 1 0 363.439 2.744 20 5 FFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H](O)Cc1ccccc1 ZINC000132069128 251042905 /nfs/dbraw/zinc/04/29/05/251042905.db2.gz BJIRFTRBOMWVHL-KBXCAEBGSA-N 1 0 357.410 2.505 20 5 FFBDRO CN(C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1CCC[N@H+](C)C1 ZINC000153414305 251135185 /nfs/dbraw/zinc/13/51/85/251135185.db2.gz CATXVTZJKNGVJM-AWEZNQCLSA-N 1 0 360.439 2.885 20 5 FFBDRO CC[C@@H]1CN(CCOc2ccc(OC)cc2[N+](=O)[O-])CCN1CC(F)F ZINC000153424465 251135450 /nfs/dbraw/zinc/13/54/50/251135450.db2.gz GIPACIOSLVHAQE-CYBMUJFWSA-N 1 0 373.400 2.644 20 5 FFBDRO C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cc(Cl)ccc1Cl ZINC000186753226 251258180 /nfs/dbraw/zinc/25/81/80/251258180.db2.gz ILBXYGXUVMKABB-JOYOIKCWSA-N 1 0 359.213 2.810 20 5 FFBDRO Cc1ccc(NCCCNC(=O)[C@@](C)([NH3+])c2ccccc2)c([N+](=O)[O-])c1 ZINC000192492602 251279088 /nfs/dbraw/zinc/27/90/88/251279088.db2.gz KAYSHNNLXALUEB-IBGZPJMESA-N 1 0 356.426 2.696 20 5 FFBDRO C[C@@]([NH3+])(C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 ZINC000192495364 251279664 /nfs/dbraw/zinc/27/96/64/251279664.db2.gz YJHVNSAXYVJPIX-FQEVSTJZSA-N 1 0 369.421 2.839 20 5 FFBDRO C[C@H]([NH2+]CCOc1cccc(S(C)(=O)=O)c1)c1ccccc1[N+](=O)[O-] ZINC000271761537 251870139 /nfs/dbraw/zinc/87/01/39/251870139.db2.gz PBPRSUIVDZWKLM-ZDUSSCGKSA-N 1 0 364.423 2.728 20 5 FFBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)NCCc3ccc(Cl)cc3[N+](=O)[O-])[C@H]2C1 ZINC000272474556 252046982 /nfs/dbraw/zinc/04/69/82/252046982.db2.gz IRGQZQWHUKLYML-BBRMVZONSA-N 1 0 366.849 2.526 20 5 FFBDRO Cn1ccnc1[C@H](NCC1([NH+](C)C)CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000272531891 252061924 /nfs/dbraw/zinc/06/19/24/252061924.db2.gz NEHUKYYPYVMNOJ-QGZVFWFLSA-N 1 0 357.458 2.882 20 5 FFBDRO CCCC[NH+]1CCC(NC(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000272839430 252145230 /nfs/dbraw/zinc/14/52/30/252145230.db2.gz OFZLRLWVKFZJQO-UHFFFAOYSA-N 1 0 350.419 2.989 20 5 FFBDRO COc1cccc([C@@H](C)[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000273015936 252190929 /nfs/dbraw/zinc/19/09/29/252190929.db2.gz BKOFSKKMJSGIIZ-CYBMUJFWSA-N 1 0 364.423 2.728 20 5 FFBDRO Cc1cc([N+](=O)[O-])cnc1NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000273079658 252209558 /nfs/dbraw/zinc/20/95/58/252209558.db2.gz HDBPKLIURKBYES-KRWDZBQOSA-N 1 0 356.426 2.867 20 5 FFBDRO C[C@@H]([NH2+][C@@H](C)c1cnn(C)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000273272063 252269518 /nfs/dbraw/zinc/26/95/18/252269518.db2.gz GTJCYBIUKWJHTM-VHSXEESVSA-N 1 0 351.794 2.660 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+](CCC(F)(F)F)CC1CC1 ZINC000273390018 252296912 /nfs/dbraw/zinc/29/69/12/252296912.db2.gz UQUBJSMPWOSZDF-ZDUSSCGKSA-N 1 0 362.348 2.999 20 5 FFBDRO CC[NH+](CC)CCN(CCOC)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000273385314 252295388 /nfs/dbraw/zinc/29/53/88/252295388.db2.gz JAKFRCWQNZFXJR-UHFFFAOYSA-N 1 0 356.398 2.556 20 5 FFBDRO CS[C@@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)C[C@@H]1[NH+]1CCCC1 ZINC000273458048 252310381 /nfs/dbraw/zinc/31/03/81/252310381.db2.gz DWOGRQIHSINWGD-DLBZAZTESA-N 1 0 363.483 2.566 20 5 FFBDRO CC(C)[NH+](CCNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C(C)C ZINC000032480550 208027345 /nfs/dbraw/zinc/02/73/45/208027345.db2.gz FHQDSUFDHDRICP-UHFFFAOYSA-N 1 0 359.430 2.629 20 5 FFBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC1([NH+](C)C)CCC1 ZINC000275996536 256064519 /nfs/dbraw/zinc/06/45/19/256064519.db2.gz OFVXXWILILDLMA-UHFFFAOYSA-N 1 0 367.471 2.547 20 5 FFBDRO C[NH+](C)CCc1ccc(CNC(=O)NCc2ccccc2[N+](=O)[O-])cc1 ZINC000276022557 256066264 /nfs/dbraw/zinc/06/62/64/256066264.db2.gz CJJKDUYTLUWGEG-UHFFFAOYSA-N 1 0 356.426 2.698 20 5 FFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H]([NH+](C)C)CC1 ZINC000277305701 256182919 /nfs/dbraw/zinc/18/29/19/256182919.db2.gz UKWSKNLAUYTELI-OLZOCXBDSA-N 1 0 368.865 2.991 20 5 FFBDRO CCOC(=O)c1n[nH]c(C2CC[NH+](Cc3cccc([N+](=O)[O-])c3C)CC2)n1 ZINC000277747049 256234450 /nfs/dbraw/zinc/23/44/50/256234450.db2.gz LGFUTSJBCLEQFK-UHFFFAOYSA-N 1 0 373.413 2.578 20 5 FFBDRO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000278139427 256281173 /nfs/dbraw/zinc/28/11/73/256281173.db2.gz NHNDRUVTEZNIHU-CYBMUJFWSA-N 1 0 371.441 2.742 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)CCN2 ZINC000278192433 256286048 /nfs/dbraw/zinc/28/60/48/256286048.db2.gz DODJOCLGXUMLKE-MRXNPFEDSA-N 1 0 368.437 2.742 20 5 FFBDRO Nc1c(F)c(NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)ccc1[N+](=O)[O-] ZINC000278399612 256308309 /nfs/dbraw/zinc/30/83/09/256308309.db2.gz MUKSWTQYDMJIPV-HNNXBMFYSA-N 1 0 374.416 2.885 20 5 FFBDRO O=[N+]([O-])c1ccc2[nH]c(NCc3ccccc3C[N@H+]3CC[C@H](O)C3)nc2c1 ZINC000278431709 256311772 /nfs/dbraw/zinc/31/17/72/256311772.db2.gz JNRGVABUPYHPEM-INIZCTEOSA-N 1 0 367.409 2.650 20 5 FFBDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000278725691 256341838 /nfs/dbraw/zinc/34/18/38/256341838.db2.gz HOXFEFRFSQVENI-GFCCVEGCSA-N 1 0 371.384 2.886 20 5 FFBDRO COCc1nc2n(n1)C[C@H]([NH2+][C@H]1CC(C)(C)c3ccc([N+](=O)[O-])cc31)CC2 ZINC000279171563 256389203 /nfs/dbraw/zinc/38/92/03/256389203.db2.gz UUQWUQQZTGTZEZ-WBMJQRKESA-N 1 0 371.441 2.660 20 5 FFBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000279266023 256399645 /nfs/dbraw/zinc/39/96/45/256399645.db2.gz JUXOWPVNCDRGDZ-HZMBPMFUSA-N 1 0 357.813 2.728 20 5 FFBDRO COc1ccc(OCC[NH2+][C@H]2CCCC23CCOCC3)c([N+](=O)[O-])c1 ZINC000281885594 256674428 /nfs/dbraw/zinc/67/44/28/256674428.db2.gz AOFHQCQLBDGRCJ-KRWDZBQOSA-N 1 0 350.415 2.921 20 5 FFBDRO O=C(CC[N@@H+]1CCC[C@H]1[C@H]1CCCO1)Nc1cc([N+](=O)[O-])ccc1F ZINC000284656779 256941488 /nfs/dbraw/zinc/94/14/88/256941488.db2.gz GGFNXNNIDIKCNZ-JKSUJKDBSA-N 1 0 351.378 2.706 20 5 FFBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1c1ncc([N+](=O)[O-])cc1Br ZINC000286228997 257026768 /nfs/dbraw/zinc/02/67/68/257026768.db2.gz DNOWZTQWWLXXJV-JQWIXIFHSA-N 1 0 355.236 2.815 20 5 FFBDRO CCOC[C@H]([NH2+]CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C(C)C ZINC000286229160 257026814 /nfs/dbraw/zinc/02/68/14/257026814.db2.gz RHBZBQQLZOGLCI-HNNXBMFYSA-N 1 0 353.419 2.583 20 5 FFBDRO CC(C)NC(=O)c1ccc(N2C[C@H]([NH+]3CCCC3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000286447002 257037643 /nfs/dbraw/zinc/03/76/43/257037643.db2.gz SZXMXZFOOUIZGG-GDBMZVCRSA-N 1 0 360.458 2.796 20 5 FFBDRO COc1cc(CN2CC[C@H](C(F)(F)F)[C@@H](CO)C2)c([N+](=O)[O-])cc1F ZINC000286664786 257048471 /nfs/dbraw/zinc/04/84/71/257048471.db2.gz UVMFRMCEPBWWEF-MNOVXSKESA-N 1 0 366.311 2.735 20 5 FFBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000286708925 257050765 /nfs/dbraw/zinc/05/07/65/257050765.db2.gz OFDZHSZXKKKFGZ-ALOPSCKCSA-N 1 0 360.458 2.794 20 5 FFBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000287013895 257067015 /nfs/dbraw/zinc/06/70/15/257067015.db2.gz ROXIRXMARIBWRW-DYVFJYSZSA-N 1 0 364.421 2.621 20 5 FFBDRO CCc1nn(C)c(NCc2ccc(OC3CC[NH+](C)CC3)cc2)c1[N+](=O)[O-] ZINC000286397782 257034988 /nfs/dbraw/zinc/03/49/88/257034988.db2.gz JOBMGAVXICWREY-UHFFFAOYSA-N 1 0 373.457 2.976 20 5 FFBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1c1ncc([N+](=O)[O-])cc1Br ZINC000286419284 257035937 /nfs/dbraw/zinc/03/59/37/257035937.db2.gz MVESQZROUUMZBE-MFKMUULPSA-N 1 0 355.236 2.815 20 5 FFBDRO Nc1ccc(NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c([N+](=O)[O-])c1 ZINC000287628064 257099581 /nfs/dbraw/zinc/09/95/81/257099581.db2.gz GZYWZKFBBOMQFA-KRWDZBQOSA-N 1 0 356.426 2.880 20 5 FFBDRO CCC[C@@]1(CO)CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000288852273 257232343 /nfs/dbraw/zinc/23/23/43/257232343.db2.gz PFZRWRCSSUUHEF-QGZVFWFLSA-N 1 0 353.394 2.547 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCCN3c4ccccc4C[C@H]3C2)c1 ZINC000289403843 257279188 /nfs/dbraw/zinc/27/91/88/257279188.db2.gz GDZWVQIKPIXANS-AZUAARDMSA-N 1 0 353.422 2.765 20 5 FFBDRO COc1ccc(C[C@@H](CO)C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])cc1O ZINC000289432344 257281108 /nfs/dbraw/zinc/28/11/08/257281108.db2.gz KVPPSDKVDYWQHR-MQDFFIGUSA-N 1 0 372.421 2.763 20 5 FFBDRO Cc1c(C[N@@H+]2CCC[C@H](CNC(=O)C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000289513439 257284974 /nfs/dbraw/zinc/28/49/74/257284974.db2.gz RCOQFJPKHVKQJP-GFCCVEGCSA-N 1 0 359.348 2.794 20 5 FFBDRO CC[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CCOC(C)(C)C1 ZINC000289944438 257307928 /nfs/dbraw/zinc/30/79/28/257307928.db2.gz VQNGXYQNMCMPRL-GJZGRUSLSA-N 1 0 352.431 2.614 20 5 FFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000290075843 257314274 /nfs/dbraw/zinc/31/42/74/257314274.db2.gz IOUMTVBDFTUNQL-CQSZACIVSA-N 1 0 351.834 2.639 20 5 FFBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000290283453 257323844 /nfs/dbraw/zinc/32/38/44/257323844.db2.gz ZVGQDMBXWMMQMB-MRXNPFEDSA-N 1 0 360.458 2.635 20 5 FFBDRO O=C(CCNc1ccccc1[N+](=O)[O-])Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000291151314 257388001 /nfs/dbraw/zinc/38/80/01/257388001.db2.gz YUPJBLJSZNJLPD-UHFFFAOYSA-N 1 0 356.382 2.518 20 5 FFBDRO COc1cc(C[N@@H+]2CC[C@@](CO)(c3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000291265558 257394740 /nfs/dbraw/zinc/39/47/40/257394740.db2.gz NGTXNSIXVVULPS-HXUWFJFHSA-N 1 0 372.421 2.748 20 5 FFBDRO C[N@@H+]1CCC[C@@]2(CCN(CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])C2)C1 ZINC000292965102 257524945 /nfs/dbraw/zinc/52/49/45/257524945.db2.gz LUCLEQFNZNAGCJ-QGZVFWFLSA-N 1 0 366.849 2.604 20 5 FFBDRO [NH3+][C@@H]1CCCC[C@@H]1CC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000296751071 257744839 /nfs/dbraw/zinc/74/48/39/257744839.db2.gz KJQIVNVNRSXHHT-RDTXWAMCSA-N 1 0 361.442 2.872 20 5 FFBDRO [NH3+]C1(CO)CCN(c2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000301278130 258039718 /nfs/dbraw/zinc/03/97/18/258039718.db2.gz LMKKAZUTBBUKSY-UHFFFAOYSA-N 1 0 353.728 2.557 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCCN2CCc3sccc3C2)c1 ZINC000302101733 258088094 /nfs/dbraw/zinc/08/80/94/258088094.db2.gz QENCINYVUMFVLI-UHFFFAOYSA-N 1 0 361.423 2.913 20 5 FFBDRO Cc1cc(NCc2nc(CO)cs2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000302404286 258100687 /nfs/dbraw/zinc/10/06/87/258100687.db2.gz FPHFEMHZHNAEON-UHFFFAOYSA-N 1 0 357.395 2.921 20 5 FFBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000302675420 258107809 /nfs/dbraw/zinc/10/78/09/258107809.db2.gz UDKKXVDKVIBOLG-ZIAGYGMSSA-N 1 0 369.487 2.778 20 5 FFBDRO Cc1cc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000302840812 258112249 /nfs/dbraw/zinc/11/22/49/258112249.db2.gz CQUIGEKWGBUFIN-GASCZTMLSA-N 1 0 358.442 2.997 20 5 FFBDRO Cc1ccc(N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)c([N+](=O)[O-])c1 ZINC000301459205 258050925 /nfs/dbraw/zinc/05/09/25/258050925.db2.gz DCGBPBPEYDJIQV-INIZCTEOSA-N 1 0 355.442 2.921 20 5 FFBDRO O=[N+]([O-])c1cnc(N2CCC[C@H]([NH+]3CCCC3)C2)c(Br)c1 ZINC000301490932 258052310 /nfs/dbraw/zinc/05/23/10/258052310.db2.gz BCRHREPOQKVFDX-NSHDSACASA-N 1 0 355.236 2.817 20 5 FFBDRO C[NH+](C)[C@@H](CNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2)c1cccc(F)c1 ZINC000301584651 258057388 /nfs/dbraw/zinc/05/73/88/258057388.db2.gz AQNOUWOROWBNCY-INIZCTEOSA-N 1 0 374.372 2.780 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(N2CCN(CC(=O)N3C[C@@H](C)C[C@H](C)C3)CC2)c1 ZINC000301593479 258057864 /nfs/dbraw/zinc/05/78/64/258057864.db2.gz ZXPPYSJKEMAEFR-IRXDYDNUSA-N 1 0 374.485 2.530 20 5 FFBDRO CC1(C)CN(c2ccc3ncc([N+](=O)[O-])n3n2)CC[N@@H+]1Cc1ccccc1 ZINC000302009769 258081813 /nfs/dbraw/zinc/08/18/13/258081813.db2.gz VRXUMMFBYBYDHN-UHFFFAOYSA-N 1 0 366.425 2.738 20 5 FFBDRO COc1cc(CN2C[C@@H](C)[N@H+](C)C[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000330585612 258165938 /nfs/dbraw/zinc/16/59/38/258165938.db2.gz LJAPIOUJKGVGSN-MNOVXSKESA-N 1 0 359.373 2.729 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@H]2CCCC[N@H+]2C[C@@H]1C ZINC000331980676 258208664 /nfs/dbraw/zinc/20/86/64/258208664.db2.gz FHXJGHDTRNFKDV-DOTOQJQBSA-N 1 0 360.458 2.790 20 5 FFBDRO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000332065468 258212097 /nfs/dbraw/zinc/21/20/97/258212097.db2.gz SINFGDVXIGKJKM-WCQYABFASA-N 1 0 370.356 2.945 20 5 FFBDRO CS[C@@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000332082742 258213205 /nfs/dbraw/zinc/21/32/05/258213205.db2.gz OLCIGEBIFYJXOE-HUUCEWRRSA-N 1 0 369.874 2.900 20 5 FFBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])C1 ZINC000332117496 258214605 /nfs/dbraw/zinc/21/46/05/258214605.db2.gz HVEGDVCXORUCLB-BRWVUGGUSA-N 1 0 374.485 2.895 20 5 FFBDRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000332317608 258225101 /nfs/dbraw/zinc/22/51/01/258225101.db2.gz VFVXEAXMWFJIQL-HUUCEWRRSA-N 1 0 361.442 2.837 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000332408409 258229242 /nfs/dbraw/zinc/22/92/42/258229242.db2.gz ZUFHYNHPMLJQJF-HNNXBMFYSA-N 1 0 361.442 2.537 20 5 FFBDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000064957591 506244224 /nfs/dbraw/zinc/24/42/24/506244224.db2.gz AAVZCHBKOIYPAH-OKILXGFUSA-N 1 0 369.487 2.630 20 5 FFBDRO O=C(Cc1ccccc1[N+](=O)[O-])NCCC[N@@H+]1CCc2ccccc2C1 ZINC000032398959 506248763 /nfs/dbraw/zinc/24/87/63/506248763.db2.gz ROQFGILRUUHHSR-UHFFFAOYSA-N 1 0 353.422 2.702 20 5 FFBDRO C[C@H]1CCC[C@](CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)([NH+](C)C)C1 ZINC000065510458 506313668 /nfs/dbraw/zinc/31/36/68/506313668.db2.gz PDATVMUONSMOJW-KXBFYZLASA-N 1 0 362.474 2.947 20 5 FFBDRO Cc1cc(NC(=O)C2CC[NH+](CCOc3ccc([N+](=O)[O-])cc3)CC2)no1 ZINC000065532557 506318394 /nfs/dbraw/zinc/31/83/94/506318394.db2.gz GDTXWPOOULBAOJ-UHFFFAOYSA-N 1 0 374.397 2.621 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@]2(C1)C(=O)Nc1ccccc12 ZINC000375320295 512265858 /nfs/dbraw/zinc/26/58/58/512265858.db2.gz QCEKJHQHWPVUJM-IBGZPJMESA-N 1 0 353.378 2.699 20 5 FFBDRO CC[N@H+](C)Cc1cccc(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)c1 ZINC000065881183 506384395 /nfs/dbraw/zinc/38/43/95/506384395.db2.gz PTNBNIFWZBQUJM-UHFFFAOYSA-N 1 0 360.389 2.698 20 5 FFBDRO CNC(=O)c1ccc(NC[C@H](C)[N@@H+]2CCc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000053558303 506405382 /nfs/dbraw/zinc/40/53/82/506405382.db2.gz NLIMTSTWTARIQB-AWEZNQCLSA-N 1 0 368.437 2.813 20 5 FFBDRO CNC(=O)c1ccc(NC[C@@H](c2ccc(F)cc2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000053574758 506408970 /nfs/dbraw/zinc/40/89/70/506408970.db2.gz FJVPEDHXOAFZSR-KRWDZBQOSA-N 1 0 360.389 2.808 20 5 FFBDRO C[NH+]1CCN(Cc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)CC1 ZINC000041577013 506533523 /nfs/dbraw/zinc/53/35/23/506533523.db2.gz VEAFNJSQGJNGBU-UHFFFAOYSA-N 1 0 354.410 2.595 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)Cc1scnc1C ZINC000066564647 506555459 /nfs/dbraw/zinc/55/54/59/506555459.db2.gz DUXQGKDWILJNGD-UHFFFAOYSA-N 1 0 364.427 2.829 20 5 FFBDRO NC(=O)c1ccc(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)c([N+](=O)[O-])c1 ZINC000011172515 506767332 /nfs/dbraw/zinc/76/73/32/506767332.db2.gz XCDHBBWXHMLXNW-UHFFFAOYSA-N 1 0 372.400 2.545 20 5 FFBDRO COc1cccc(C2=CC[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)CC2)c1 ZINC000371284759 512307006 /nfs/dbraw/zinc/30/70/06/512307006.db2.gz UOQBEKUMZSIKEP-UHFFFAOYSA-N 1 0 355.394 2.554 20 5 FFBDRO O=C(Nc1cccc([N+](=O)[O-])c1)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000045756001 507012555 /nfs/dbraw/zinc/01/25/55/507012555.db2.gz INSVFHQLLSQJIK-UHFFFAOYSA-N 1 0 355.398 2.776 20 5 FFBDRO COc1ccc(CC(=O)NCc2cccc(C[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000067906081 507048506 /nfs/dbraw/zinc/04/85/06/507048506.db2.gz UMYYAPTXFCCFBQ-UHFFFAOYSA-N 1 0 357.410 2.524 20 5 FFBDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000067922872 507053997 /nfs/dbraw/zinc/05/39/97/507053997.db2.gz XEFMULXKWXHXTE-INIZCTEOSA-N 1 0 363.458 2.917 20 5 FFBDRO CCOc1ccc([C@@H](C)[NH2+][C@H]2CCCc3c2cnn3CCO)cc1[N+](=O)[O-] ZINC000371312580 512322542 /nfs/dbraw/zinc/32/25/42/512322542.db2.gz FWBCCMKDBJMGCI-CJNGLKHVSA-N 1 0 374.441 2.911 20 5 FFBDRO CC1CC[NH+](CCNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000047119623 507268067 /nfs/dbraw/zinc/26/80/67/507268067.db2.gz CDHHFMUJZJZPDS-UHFFFAOYSA-N 1 0 374.485 2.659 20 5 FFBDRO Nc1c(C(=O)NCc2ccccc2C[NH+]2CCCC2)cc(F)cc1[N+](=O)[O-] ZINC000048314890 507499426 /nfs/dbraw/zinc/49/94/26/507499426.db2.gz QMVDFKAELRYVOR-UHFFFAOYSA-N 1 0 372.400 2.842 20 5 FFBDRO Cc1ccc([C@H]([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)c2ccccn2)cc1 ZINC000369303583 512343838 /nfs/dbraw/zinc/34/38/38/512343838.db2.gz QHUIVSCFQKXENI-FQEVSTJZSA-N 1 0 364.405 2.839 20 5 FFBDRO C[C@@H](O)C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000061555118 507620544 /nfs/dbraw/zinc/62/05/44/507620544.db2.gz ZQGCIJNCKFIUAP-CQSZACIVSA-N 1 0 352.394 2.918 20 5 FFBDRO CC[NH+](CC)CCn1c2ccccc2[nH]c1=NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000070754887 507630155 /nfs/dbraw/zinc/63/01/55/507630155.db2.gz WJWAEVAKSVIWGP-UHFFFAOYSA-N 1 0 371.397 2.554 20 5 FFBDRO O=C(NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1ccc([N+](=O)[O-])o1 ZINC000373480118 512352420 /nfs/dbraw/zinc/35/24/20/512352420.db2.gz MVAUFDHCFMOFMI-UHFFFAOYSA-N 1 0 361.320 2.723 20 5 FFBDRO O=C(CC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1)Nc1ccc(F)cc1 ZINC000051373745 507765412 /nfs/dbraw/zinc/76/54/12/507765412.db2.gz MWLFGXRJDIFAOH-UHFFFAOYSA-N 1 0 372.400 2.885 20 5 FFBDRO COc1cc(C(=O)NCCC[N@@H+]2CCCC[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000072706097 507844926 /nfs/dbraw/zinc/84/49/26/507844926.db2.gz QATAYYHSGXJJMP-CYBMUJFWSA-N 1 0 365.430 2.606 20 5 FFBDRO C[C@H]1CCCC[N@@H+]1CCCNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000089619532 507851024 /nfs/dbraw/zinc/85/10/24/507851024.db2.gz ZPAOEMCYBUDYOS-ZDUSSCGKSA-N 1 0 355.460 2.675 20 5 FFBDRO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000107599928 507858922 /nfs/dbraw/zinc/85/89/22/507858922.db2.gz GMXXXEZEBCFJHZ-INIZCTEOSA-N 1 0 358.442 2.870 20 5 FFBDRO CC[N@H+](CCNC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-])C1CC1 ZINC000078402418 507868681 /nfs/dbraw/zinc/86/86/81/507868681.db2.gz GHKTUWHPLNJRON-UHFFFAOYSA-N 1 0 353.444 2.539 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000108305871 507886135 /nfs/dbraw/zinc/88/61/35/507886135.db2.gz IRJKUBKZTNWJIQ-RISCZKNCSA-N 1 0 367.833 2.616 20 5 FFBDRO CC[C@H]([NH2+][C@H]1CCCN(c2ccn(C)n2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000090068702 507906019 /nfs/dbraw/zinc/90/60/19/507906019.db2.gz PMSYXAUOBFOVLI-HOTGVXAUSA-N 1 0 357.414 2.565 20 5 FFBDRO C[NH+](C)[C@H](CNC(=O)NCCc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000073491537 507924993 /nfs/dbraw/zinc/92/49/93/507924993.db2.gz VUNVEQRQPRUSFD-SFHVURJKSA-N 1 0 370.453 2.609 20 5 FFBDRO COc1cc(C[N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)ccc1SC ZINC000090522341 507925408 /nfs/dbraw/zinc/92/54/08/507925408.db2.gz ZXTMSWLKQIZWIM-UHFFFAOYSA-N 1 0 363.439 2.619 20 5 FFBDRO CCCc1n[nH]c(C(=O)NC2CC[NH+](CC3CCCC3)CC2)c1[N+](=O)[O-] ZINC000109620919 507971682 /nfs/dbraw/zinc/97/16/82/507971682.db2.gz OXACAVQYDNZJLP-UHFFFAOYSA-N 1 0 363.462 2.655 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000073988704 507974568 /nfs/dbraw/zinc/97/45/68/507974568.db2.gz VYWSNFKSNFBQNB-BNOWGMLFSA-N 1 0 367.833 2.711 20 5 FFBDRO CC[NH+](CC)CCCNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000079762527 507999162 /nfs/dbraw/zinc/99/91/62/507999162.db2.gz PKJZOLNXJHDXIL-UHFFFAOYSA-N 1 0 358.236 2.819 20 5 FFBDRO CC(C)[NH+]1CCC(NC(=O)COc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000074374759 508017037 /nfs/dbraw/zinc/01/70/37/508017037.db2.gz NVXLJVFCYKBYIL-UHFFFAOYSA-N 1 0 355.822 2.616 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC=C(c3ccccc3Cl)CC2)c1 ZINC000091856875 508019513 /nfs/dbraw/zinc/01/95/13/508019513.db2.gz XJLFQRLZRXPDFO-HNNXBMFYSA-N 1 0 362.817 2.595 20 5 FFBDRO COc1cc(C(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000110354008 508022847 /nfs/dbraw/zinc/02/28/47/508022847.db2.gz XCRPOLVMCQTOSR-AWEZNQCLSA-N 1 0 357.410 2.854 20 5 FFBDRO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000110521721 508032288 /nfs/dbraw/zinc/03/22/88/508032288.db2.gz JNRKEMAVVJYTMV-INIZCTEOSA-N 1 0 358.442 2.505 20 5 FFBDRO CC(C)OCC[NH+]1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000074773541 508054154 /nfs/dbraw/zinc/05/41/54/508054154.db2.gz VBVLUCHQLOECPY-UHFFFAOYSA-N 1 0 359.373 2.743 20 5 FFBDRO CN(CC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)c1ccccc1[N+](=O)[O-] ZINC000080329618 508065996 /nfs/dbraw/zinc/06/59/96/508065996.db2.gz ZKTQGZYJLLREID-INIZCTEOSA-N 1 0 350.463 2.514 20 5 FFBDRO COc1cc(CN2CC[NH2+][C@@H](C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000092455165 508072000 /nfs/dbraw/zinc/07/20/00/508072000.db2.gz PVUFKTVSMBQRRM-HNNXBMFYSA-N 1 0 371.437 2.976 20 5 FFBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+](Cc1ccncc1)C1CC1 ZINC000093221343 508128931 /nfs/dbraw/zinc/12/89/31/508128931.db2.gz UNQVJHYPESXATR-UHFFFAOYSA-N 1 0 368.393 2.952 20 5 FFBDRO C[C@H](c1cccnc1)[N@H+](C)CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000093226769 508129392 /nfs/dbraw/zinc/12/93/92/508129392.db2.gz XSPPZFCKFPRJLT-CYBMUJFWSA-N 1 0 356.382 2.981 20 5 FFBDRO CC[NH+](CC)C[C@@H]1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000076004937 508151136 /nfs/dbraw/zinc/15/11/36/508151136.db2.gz GLJFPTZRPXJMHJ-AWEZNQCLSA-N 1 0 359.430 2.809 20 5 FFBDRO CCOc1ccc(C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)cc1[N+](=O)[O-] ZINC000081289729 508156122 /nfs/dbraw/zinc/15/61/22/508156122.db2.gz HAWRPXOEFJOORS-MRXNPFEDSA-N 1 0 361.442 2.988 20 5 FFBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000081329789 508163249 /nfs/dbraw/zinc/16/32/49/508163249.db2.gz PLAOCJULXQRNTN-CQSZACIVSA-N 1 0 351.472 2.877 20 5 FFBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000081629855 508198660 /nfs/dbraw/zinc/19/86/60/508198660.db2.gz WWDZHLGMIBQDLG-GOEBONIOSA-N 1 0 360.458 2.586 20 5 FFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000076553446 508222991 /nfs/dbraw/zinc/22/29/91/508222991.db2.gz VMTAQQFQWYXACZ-LBPRGKRZSA-N 1 0 359.348 2.772 20 5 FFBDRO COC(=O)CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C(C)C ZINC000114197325 508298884 /nfs/dbraw/zinc/29/88/84/508298884.db2.gz FOWMUQFTQCJJKC-UHFFFAOYSA-N 1 0 351.403 2.505 20 5 FFBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000085407157 508307147 /nfs/dbraw/zinc/30/71/47/508307147.db2.gz NEDLHSYWAYDNOL-YJBOKZPZSA-N 1 0 362.474 2.899 20 5 FFBDRO O=C(COc1cccc([N+](=O)[O-])c1)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000114645145 508333592 /nfs/dbraw/zinc/33/35/92/508333592.db2.gz IRVUOZIOKBUIOW-GOSISDBHSA-N 1 0 369.421 2.754 20 5 FFBDRO COc1ccc(C(=O)N2CC[NH+](C3CCC(C)CC3)CC2)cc1[N+](=O)[O-] ZINC000115255435 508378333 /nfs/dbraw/zinc/37/83/33/508378333.db2.gz IZBRRGCJVPKTAE-UHFFFAOYSA-N 1 0 361.442 2.940 20 5 FFBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2cccc(C)c2[N+](=O)[O-])[C@H](C)C1 ZINC000115271983 508379735 /nfs/dbraw/zinc/37/97/35/508379735.db2.gz FUXHSHZKBUDKAW-WBVHZDCISA-N 1 0 363.458 2.770 20 5 FFBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2ccc(C)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000115274216 508380529 /nfs/dbraw/zinc/38/05/29/508380529.db2.gz IPNVHXXLZHDRDH-WBVHZDCISA-N 1 0 363.458 2.770 20 5 FFBDRO CCOC(=O)c1ccnc(NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000077928733 508392639 /nfs/dbraw/zinc/39/26/39/508392639.db2.gz ABURXHSMVUAFAU-QWHCGFSZSA-N 1 0 350.419 2.699 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N3CCC[C@H]([NH+](C)C)C3)cc2[N+](=O)[O-])CC1 ZINC000106364811 508399812 /nfs/dbraw/zinc/39/98/12/508399812.db2.gz FGPKYEIRRQHVRY-KRWDZBQOSA-N 1 0 374.485 2.997 20 5 FFBDRO Cc1c(NC(=O)CC[N@@H+]2CC[C@@H](Oc3ccncc3)C2)cccc1[N+](=O)[O-] ZINC000156394577 508413897 /nfs/dbraw/zinc/41/38/97/508413897.db2.gz AXDHNQJZERCPOJ-MRXNPFEDSA-N 1 0 370.409 2.780 20 5 FFBDRO CC(C)(C)[NH+]1CCC(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000156585972 508445415 /nfs/dbraw/zinc/44/54/15/508445415.db2.gz PWYZVNOJLQPDBT-UHFFFAOYSA-N 1 0 358.442 2.998 20 5 FFBDRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000121929272 508451780 /nfs/dbraw/zinc/45/17/80/508451780.db2.gz JINAPMZUIYJRCM-HZMBPMFUSA-N 1 0 370.247 2.628 20 5 FFBDRO COC(=O)CC1([NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CCOCC1 ZINC000152549331 508468426 /nfs/dbraw/zinc/46/84/26/508468426.db2.gz XNQUMJGIQSWGQP-UHFFFAOYSA-N 1 0 350.415 2.920 20 5 FFBDRO C[NH+](C)CC[C@@H](NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)C(C)(C)C ZINC000116129515 508476393 /nfs/dbraw/zinc/47/63/93/508476393.db2.gz XPBWCAXSXHANLO-QGZVFWFLSA-N 1 0 373.457 2.877 20 5 FFBDRO Cc1n[nH]c(C(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)c1[N+](=O)[O-] ZINC000116204455 508486397 /nfs/dbraw/zinc/48/63/97/508486397.db2.gz BKRFNNGWDHYDDY-UHFFFAOYSA-N 1 0 371.441 2.788 20 5 FFBDRO COc1ccc(C[NH2+][C@@H](CO)Cc2c[nH]c3ccccc23)cc1[N+](=O)[O-] ZINC000116350115 508501868 /nfs/dbraw/zinc/50/18/68/508501868.db2.gz YVBQAELFABDUAI-OAHLLOKOSA-N 1 0 355.394 2.778 20 5 FFBDRO Cc1ccc(S(=O)(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)c([N+](=O)[O-])c1 ZINC000116372451 508504709 /nfs/dbraw/zinc/50/47/09/508504709.db2.gz RZRJXIORRQZOJI-HNNXBMFYSA-N 1 0 357.476 2.548 20 5 FFBDRO CCCC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000152830337 508522351 /nfs/dbraw/zinc/52/23/51/508522351.db2.gz BQRBWTAAWBILBT-KRWDZBQOSA-N 1 0 369.487 2.669 20 5 FFBDRO CC1CCN(c2ccc(C(=O)NC[C@@H](C3CC3)[NH+](C)C)cc2[N+](=O)[O-])CC1 ZINC000122413158 508531376 /nfs/dbraw/zinc/53/13/76/508531376.db2.gz WZAYQUYNXWLFNY-IBGZPJMESA-N 1 0 374.485 2.901 20 5 FFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN[C@H](c2cccnc2)C1 ZINC000367237494 512401470 /nfs/dbraw/zinc/40/14/70/512401470.db2.gz LAQXUBRTKFHXMA-GUYCJALGSA-N 1 0 372.450 2.644 20 5 FFBDRO C[C@H]1CCC[C@](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)([NH+](C)C)C1 ZINC000116749259 508554544 /nfs/dbraw/zinc/55/45/44/508554544.db2.gz CLALIIYJXDKSON-GTNSWQLSSA-N 1 0 352.410 2.556 20 5 FFBDRO COc1cccc(OCC[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000157466895 508569630 /nfs/dbraw/zinc/56/96/30/508569630.db2.gz BCBZEMWTSBWSJI-AWEZNQCLSA-N 1 0 358.398 2.564 20 5 FFBDRO CC(C)C[C@@](C)(C[NH3+])NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000157540433 508579368 /nfs/dbraw/zinc/57/93/68/508579368.db2.gz YBGWHMLWEZNIBR-BZNIZROVSA-N 1 0 357.838 2.895 20 5 FFBDRO O=C(Nc1nncs1)C1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000377698387 512405561 /nfs/dbraw/zinc/40/55/61/512405561.db2.gz MMDPOKQFZLEGST-HWKANZROSA-N 1 0 373.438 2.810 20 5 FFBDRO C[C@@H]1C[C@@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C[N@@H+]1C1CC1 ZINC000123098054 508635802 /nfs/dbraw/zinc/63/58/02/508635802.db2.gz CQSMOVYZORALHT-UKRRQHHQSA-N 1 0 358.442 2.894 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)[C@H](C)C1 ZINC000135650021 508636828 /nfs/dbraw/zinc/63/68/28/508636828.db2.gz CVIPXINHGGMJOJ-ACJLOTCBSA-N 1 0 358.442 2.807 20 5 FFBDRO COC[C@H](O)CC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000153736029 508637980 /nfs/dbraw/zinc/63/79/80/508637980.db2.gz OEESZSGTSNXVPY-GFCCVEGCSA-N 1 0 354.790 2.995 20 5 FFBDRO C[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)CCC1CCOCC1 ZINC000128892393 508656490 /nfs/dbraw/zinc/65/64/90/508656490.db2.gz XSYKYMWTCAKMCM-UHFFFAOYSA-N 1 0 353.394 2.811 20 5 FFBDRO CC[C@](C)(COc1ncccc1Cl)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000136240321 508680929 /nfs/dbraw/zinc/68/09/29/508680929.db2.gz XSYAYQAAABKZND-OAHLLOKOSA-N 1 0 353.810 2.677 20 5 FFBDRO Cc1nn(C)c(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000129247611 508703246 /nfs/dbraw/zinc/70/32/46/508703246.db2.gz SULRYABJYFMDGD-INIZCTEOSA-N 1 0 371.441 2.512 20 5 FFBDRO C[C@@H]1C[C@H](NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)C[N@@H+]1C1CC1 ZINC000154241635 508743231 /nfs/dbraw/zinc/74/32/31/508743231.db2.gz IUVIJSUCHKKNRE-HIFRSBDPSA-N 1 0 358.442 2.894 20 5 FFBDRO C[C@@H]1C[C@@H](NC(=O)CNc2ccccc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000137432836 508756103 /nfs/dbraw/zinc/75/61/03/508756103.db2.gz YEOILEHXMYXTIN-NVXWUHKLSA-N 1 0 368.437 2.786 20 5 FFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000119372424 508782466 /nfs/dbraw/zinc/78/24/66/508782466.db2.gz UXUJMHVITOZJOA-CJNGLKHVSA-N 1 0 355.398 2.632 20 5 FFBDRO C[C@H](Cc1ccc(O)cc1)[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000119396610 508787957 /nfs/dbraw/zinc/78/79/57/508787957.db2.gz QEVNGRXUEHHRSN-KDOFPFPSSA-N 1 0 360.410 2.603 20 5 FFBDRO CN(C(=O)c1cccc([N+](=O)[O-])c1Br)[C@H]1CCC[N@H+](C)C1 ZINC000159103317 508792675 /nfs/dbraw/zinc/79/26/75/508792675.db2.gz SFITXCZQJQCYBZ-JTQLQIEISA-N 1 0 356.220 2.524 20 5 FFBDRO O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000142092550 508820896 /nfs/dbraw/zinc/82/08/96/508820896.db2.gz RQMWWRMDKNFFNZ-MRXNPFEDSA-N 1 0 358.442 2.505 20 5 FFBDRO Cc1c(CC(=O)NCc2ccc(OCC[NH+](C)C)cc2)cccc1[N+](=O)[O-] ZINC000119673173 508841683 /nfs/dbraw/zinc/84/16/83/508841683.db2.gz NZLMZNASNDTROO-UHFFFAOYSA-N 1 0 371.437 2.703 20 5 FFBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000124541694 508848922 /nfs/dbraw/zinc/84/89/22/508848922.db2.gz NMEMTOSAXWTQHN-YJBOKZPZSA-N 1 0 358.442 2.753 20 5 FFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000119768977 508859401 /nfs/dbraw/zinc/85/94/01/508859401.db2.gz AFZKVOPMXUGHAO-BEFAXECRSA-N 1 0 369.421 2.610 20 5 FFBDRO CC[NH+](CC)[C@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)c1ccccc1 ZINC000124623397 508860542 /nfs/dbraw/zinc/86/05/42/508860542.db2.gz NHNPDYWOFWTBOE-MRXNPFEDSA-N 1 0 357.414 2.584 20 5 FFBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000159753199 508885646 /nfs/dbraw/zinc/88/56/46/508885646.db2.gz BHBMEAKMHQNWBE-LLVKDONJSA-N 1 0 370.247 2.962 20 5 FFBDRO C[NH+](C)CCOc1ccccc1CNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000120043214 508915665 /nfs/dbraw/zinc/91/56/65/508915665.db2.gz VNEITEGLWFXEMH-UHFFFAOYSA-N 1 0 358.398 2.857 20 5 FFBDRO CN(C)c1ccc([N+](=O)[O-])c(OC[C@H](O)C[N@H+](C)Cc2ccccc2)c1 ZINC000155536206 509021542 /nfs/dbraw/zinc/02/15/42/509021542.db2.gz YXWBKGMHMVBVIS-QGZVFWFLSA-N 1 0 359.426 2.533 20 5 FFBDRO C[N@H+](CCCNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000151610012 509052451 /nfs/dbraw/zinc/05/24/51/509052451.db2.gz WZRZJBNVVQROLG-UHFFFAOYSA-N 1 0 369.487 2.669 20 5 FFBDRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000120734024 509054116 /nfs/dbraw/zinc/05/41/16/509054116.db2.gz WIABWWZCEXOVNE-AWEZNQCLSA-N 1 0 358.442 2.753 20 5 FFBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000151682425 509065495 /nfs/dbraw/zinc/06/54/95/509065495.db2.gz CNPIYNWUBYUUSI-QGZVFWFLSA-N 1 0 362.430 2.704 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000155867373 509085009 /nfs/dbraw/zinc/08/50/09/509085009.db2.gz XWQXMEVHTWVJTG-CQSZACIVSA-N 1 0 354.410 2.701 20 5 FFBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Br)[N@H+](C)C1CC1 ZINC000120991998 509104895 /nfs/dbraw/zinc/10/48/95/509104895.db2.gz LWFKQGZWWLSLKE-VIFPVBQESA-N 1 0 356.220 2.570 20 5 FFBDRO CCCc1n[nH]c(C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)c1[N+](=O)[O-] ZINC000156114272 509129447 /nfs/dbraw/zinc/12/94/47/509129447.db2.gz VJMIBOLPZXTXFC-AWEZNQCLSA-N 1 0 351.451 2.511 20 5 FFBDRO O=[N+]([O-])c1cccc(CS(=O)(=O)Cc2nccn2Cc2ccccc2)c1 ZINC000121301620 509164624 /nfs/dbraw/zinc/16/46/24/509164624.db2.gz CISXJXSZPGNSLH-UHFFFAOYSA-N 1 0 371.418 2.955 20 5 FFBDRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1c([N+](=O)[O-])cnn1C ZINC000162185666 509175263 /nfs/dbraw/zinc/17/52/63/509175263.db2.gz VYLCORVOHGPTOH-AWEZNQCLSA-N 1 0 371.441 2.633 20 5 FFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000188702458 509222255 /nfs/dbraw/zinc/22/22/55/509222255.db2.gz HUZIVSPOXBZKPS-LBPRGKRZSA-N 1 0 357.435 2.995 20 5 FFBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000172802762 509245184 /nfs/dbraw/zinc/24/51/84/509245184.db2.gz LLPXYKKWZXEULX-XJKSGUPXSA-N 1 0 357.414 2.876 20 5 FFBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)CC[C@H]21 ZINC000248182124 509257687 /nfs/dbraw/zinc/25/76/87/509257687.db2.gz WPNPIWPFMAVVIH-WMLDXEAASA-N 1 0 358.442 2.725 20 5 FFBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000176004333 509269199 /nfs/dbraw/zinc/26/91/99/509269199.db2.gz XBPQWHLJSFMMEP-MFKMUULPSA-N 1 0 370.247 2.770 20 5 FFBDRO COc1cccc(NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c1[N+](=O)[O-] ZINC000185698785 509310047 /nfs/dbraw/zinc/31/00/47/509310047.db2.gz TWIRPYLWBZMSJZ-MRXNPFEDSA-N 1 0 357.410 2.782 20 5 FFBDRO CCCO[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000248454784 509329387 /nfs/dbraw/zinc/32/93/87/509329387.db2.gz KMJBRXNBKHOJHO-HZPDHXFCSA-N 1 0 352.431 2.616 20 5 FFBDRO C[NH+](C)[C@@H]1CCCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000182606829 509329937 /nfs/dbraw/zinc/32/99/37/509329937.db2.gz RCCRFCFHKSMMCC-GFCCVEGCSA-N 1 0 357.863 2.893 20 5 FFBDRO CC(C)c1ccc(C(=O)N2CCN(CC[NH+]3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000188939064 509333011 /nfs/dbraw/zinc/33/30/11/509333011.db2.gz OQHNBXSEKAOZDN-UHFFFAOYSA-N 1 0 374.485 2.572 20 5 FFBDRO CCn1c(CC[NH3+])nnc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000267076076 509336680 /nfs/dbraw/zinc/33/66/80/509336680.db2.gz FMDMJALNKJZUSD-UHFFFAOYSA-N 1 0 361.349 2.877 20 5 FFBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)n1 ZINC000192079573 509336730 /nfs/dbraw/zinc/33/67/30/509336730.db2.gz KXRHUMHYCWCOSD-UKRRQHHQSA-N 1 0 354.769 2.704 20 5 FFBDRO COc1cc(C[N@@H+]2CCC[C@H]2C(C)(C)O)c([N+](=O)[O-])cc1OCC(F)F ZINC000182651299 509350478 /nfs/dbraw/zinc/35/04/78/509350478.db2.gz ULVRHVQOBIMIAC-HNNXBMFYSA-N 1 0 374.384 2.983 20 5 FFBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)CC[C@@H]21 ZINC000179292211 509359592 /nfs/dbraw/zinc/35/95/92/509359592.db2.gz ZEDGMNHWNUPXDM-UGSOOPFHSA-N 1 0 356.426 2.561 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])cc2OC)[C@@H](C)C1 ZINC000248555312 509361579 /nfs/dbraw/zinc/36/15/79/509361579.db2.gz BEEDVTMZOPOBMS-SWLSCSKDSA-N 1 0 350.419 2.797 20 5 FFBDRO NC(=O)c1ccc(NC[C@H]2CC[N@H+](CCc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000264261655 509420380 /nfs/dbraw/zinc/42/03/80/509420380.db2.gz DAYCIXBYCXIOEU-MRXNPFEDSA-N 1 0 368.437 2.670 20 5 FFBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000267276372 509423510 /nfs/dbraw/zinc/42/35/10/509423510.db2.gz UHCRAJVONBJKLG-CABCVRRESA-N 1 0 360.458 2.904 20 5 FFBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000248719144 509451795 /nfs/dbraw/zinc/45/17/95/509451795.db2.gz CELXJNXCAQZVCB-BLLLJJGKSA-N 1 0 372.400 2.566 20 5 FFBDRO CCC[C@@]1(COC)CCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248741061 509464363 /nfs/dbraw/zinc/46/43/63/509464363.db2.gz PWACOEKXJVXMIV-QAPCUYQASA-N 1 0 352.431 2.616 20 5 FFBDRO CC(C)c1ccc([C@@H]([NH3+])CNC(=O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000236717600 509489794 /nfs/dbraw/zinc/48/97/94/509489794.db2.gz BRFSDBQGPWKESP-SFHVURJKSA-N 1 0 357.410 2.913 20 5 FFBDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000236761553 509497866 /nfs/dbraw/zinc/49/78/66/509497866.db2.gz VUMVPDPCWWCYJO-AAEUAGOBSA-N 1 0 357.838 2.847 20 5 FFBDRO Cc1nn(Cc2ccc(C(=O)N[C@](C)(C[NH3+])C(C)C)cc2)c(C)c1[N+](=O)[O-] ZINC000236840065 509516235 /nfs/dbraw/zinc/51/62/35/509516235.db2.gz AUFJCTLXCQMNQI-LJQANCHMSA-N 1 0 373.457 2.560 20 5 FFBDRO CC(C)([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C(=O)NCC1CCCCC1 ZINC000179608255 509534542 /nfs/dbraw/zinc/53/45/42/509534542.db2.gz KOENIEMRHZPGOY-QGZVFWFLSA-N 1 0 363.458 2.693 20 5 FFBDRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000173347767 509545875 /nfs/dbraw/zinc/54/58/75/509545875.db2.gz HSDQAUBINBJYDO-QWHCGFSZSA-N 1 0 363.439 2.915 20 5 FFBDRO COc1cccc(N(C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000186164289 509556141 /nfs/dbraw/zinc/55/61/41/509556141.db2.gz CWFPJCAXKGRMDG-FQEVSTJZSA-N 1 0 371.437 2.677 20 5 FFBDRO CCn1nc(C)c([N+](=O)[O-])c1N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000192620991 509568617 /nfs/dbraw/zinc/56/86/17/509568617.db2.gz QPKXEHWBQJVQHB-HNNXBMFYSA-N 1 0 372.473 2.742 20 5 FFBDRO O=C(c1cc(N2CC[C@@H]([NH+]3CCCCC3)C2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000264538230 509587125 /nfs/dbraw/zinc/58/71/25/509587125.db2.gz AFGNRCFJRKGMLV-QGZVFWFLSA-N 1 0 372.469 2.895 20 5 FFBDRO CC(C)[NH2+]C1CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000179831810 509642205 /nfs/dbraw/zinc/64/22/05/509642205.db2.gz KWQOIUSTLDBEMX-UHFFFAOYSA-N 1 0 357.458 2.958 20 5 FFBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@@H]2CCC[NH2+]C2)cc1 ZINC000237456009 509651622 /nfs/dbraw/zinc/65/16/22/509651622.db2.gz YGMCXADINSJSNG-CYBMUJFWSA-N 1 0 371.393 2.878 20 5 FFBDRO CC(C)C[C@H]1OCCC[C@@H]1[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000186341311 509658660 /nfs/dbraw/zinc/65/86/60/509658660.db2.gz GJSAUCOYSDGTHT-FUHWJXTLSA-N 1 0 361.442 2.667 20 5 FFBDRO [NH3+]C1(CNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CCCCCC1 ZINC000237782114 509732995 /nfs/dbraw/zinc/73/29/95/509732995.db2.gz VDXWUTDBZCFHSG-UHFFFAOYSA-N 1 0 357.414 2.562 20 5 FFBDRO Cc1c(C(=O)NCC2([NH3+])CCCCC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000237778483 509733578 /nfs/dbraw/zinc/73/35/78/509733578.db2.gz PMEMOOHQRLJDCK-UHFFFAOYSA-N 1 0 350.375 2.511 20 5 FFBDRO [NH3+]C1(CNC(=O)c2ccc([N+](=O)[O-])cc2Br)CCCCC1 ZINC000237839699 509748178 /nfs/dbraw/zinc/74/81/78/509748178.db2.gz XCYGLEUUGYYFSU-UHFFFAOYSA-N 1 0 356.220 2.749 20 5 FFBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000268108148 509760712 /nfs/dbraw/zinc/76/07/12/509760712.db2.gz GDBGPBFXHSNRHW-ABAIWWIYSA-N 1 0 354.838 2.730 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])s1)N(Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000186566426 509775080 /nfs/dbraw/zinc/77/50/80/509775080.db2.gz SMVASMOXZOTGDJ-AWEZNQCLSA-N 1 0 360.439 2.836 20 5 FFBDRO O=C(C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)NCCc1ccccc1 ZINC000193089682 509774951 /nfs/dbraw/zinc/77/49/51/509774951.db2.gz XFOVCMQXVFQVFW-LJQANCHMSA-N 1 0 353.422 2.921 20 5 FFBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000264950875 509792312 /nfs/dbraw/zinc/79/23/12/509792312.db2.gz JYBYWLQZZHBBBR-ZDUSSCGKSA-N 1 0 365.430 2.606 20 5 FFBDRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000238008664 509797330 /nfs/dbraw/zinc/79/73/30/509797330.db2.gz ZCEBKAZDPAXEGE-BXUZGUMPSA-N 1 0 370.247 2.534 20 5 FFBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)[C@@H]1[NH2+]CCc2ccccc21 ZINC000238021793 509800874 /nfs/dbraw/zinc/80/08/74/509800874.db2.gz MICBFKWCGFYACD-LJQANCHMSA-N 1 0 353.422 2.921 20 5 FFBDRO Cc1c([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cnn1C ZINC000183459836 509804139 /nfs/dbraw/zinc/80/41/39/509804139.db2.gz KMEYMQXFCPMDQE-VHSXEESVSA-N 1 0 365.821 2.968 20 5 FFBDRO O=[N+]([O-])c1cc(C[NH2+]CCOCCO)ccc1Oc1ccc(F)cc1 ZINC000238190563 509830173 /nfs/dbraw/zinc/83/01/73/509830173.db2.gz UUOODTGDSBTCMP-UHFFFAOYSA-N 1 0 350.346 2.625 20 5 FFBDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183583691 509871796 /nfs/dbraw/zinc/87/17/96/509871796.db2.gz ZVTMLWYAYCCLNY-MRXNPFEDSA-N 1 0 369.425 2.976 20 5 FFBDRO C[C@H]1CCC[N@H+](CCNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000180477169 509946061 /nfs/dbraw/zinc/94/60/61/509946061.db2.gz AZYULNZXWRYSJH-NSHDSACASA-N 1 0 357.357 2.658 20 5 FFBDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000180507590 509959844 /nfs/dbraw/zinc/95/98/44/509959844.db2.gz PWIRLQJYIZOMSU-ZDUSSCGKSA-N 1 0 363.414 2.708 20 5 FFBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000174163715 509978458 /nfs/dbraw/zinc/97/84/58/509978458.db2.gz AJUQQYXRKYQYED-GFCCVEGCSA-N 1 0 370.247 2.914 20 5 FFBDRO Cc1n[nH]c(C(=O)NC2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000268530331 509992422 /nfs/dbraw/zinc/99/24/22/509992422.db2.gz DARCQZLTGNXDEV-STQMWFEESA-N 1 0 371.441 2.513 20 5 FFBDRO COc1cc(OCC(=O)Nc2cc(C[NH+](C)C)ccc2C)ccc1[N+](=O)[O-] ZINC000177348826 510007340 /nfs/dbraw/zinc/00/73/40/510007340.db2.gz NBRDOCUSVLHQRY-UHFFFAOYSA-N 1 0 373.409 2.991 20 5 FFBDRO Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000180606394 510011517 /nfs/dbraw/zinc/01/15/17/510011517.db2.gz BHCDMTHRPKATFL-AWEZNQCLSA-N 1 0 360.439 2.805 20 5 FFBDRO [NH3+][C@@H]1CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)C[C@H]1c1ccccc1 ZINC000261722826 510041490 /nfs/dbraw/zinc/04/14/90/510041490.db2.gz LFYXTVCDRRDKJM-DLBZAZTESA-N 1 0 357.435 2.640 20 5 FFBDRO C[C@@H](NC(=O)COc1cccc([N+](=O)[O-])c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000187182978 510107102 /nfs/dbraw/zinc/10/71/02/510107102.db2.gz ADTOCUKTFXGDMN-KUHUBIRLSA-N 1 0 357.410 2.781 20 5 FFBDRO CCc1n[nH]c(C(=O)NC[C@@H](c2ccsc2)[NH+](CC)CC)c1[N+](=O)[O-] ZINC000171371401 510112718 /nfs/dbraw/zinc/11/27/18/510112718.db2.gz XEKOLADQXJQPMG-ZDUSSCGKSA-N 1 0 365.459 2.755 20 5 FFBDRO O=C(CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000245737747 510117090 /nfs/dbraw/zinc/11/70/90/510117090.db2.gz DKACCRIUQOPONQ-RTBURBONSA-N 1 0 373.453 2.729 20 5 FFBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NC[C@H]([NH3+])C3CC3)cc2[N+](=O)[O-])C1 ZINC000261991875 510141712 /nfs/dbraw/zinc/14/17/12/510141712.db2.gz YHITUHOGLJNMDC-IOASZLSFSA-N 1 0 360.458 2.544 20 5 FFBDRO CC(C)c1ccc(CN2CCCC[C@H]2CNC(=O)CC[NH3+])cc1[N+](=O)[O-] ZINC000262057707 510163062 /nfs/dbraw/zinc/16/30/62/510163062.db2.gz QTGXAEBDKMIXDQ-INIZCTEOSA-N 1 0 362.474 2.538 20 5 FFBDRO COCCCOC1CCN(Cc2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC000184221467 510200985 /nfs/dbraw/zinc/20/09/85/510200985.db2.gz UYRNJSCQRCJTTI-UHFFFAOYSA-N 1 0 356.394 2.760 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000194161215 510244111 /nfs/dbraw/zinc/24/41/11/510244111.db2.gz XQBMNZUTULSGOL-AWEZNQCLSA-N 1 0 364.446 2.525 20 5 FFBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1ccccc1OCC[NH+](C)C ZINC000194168556 510246176 /nfs/dbraw/zinc/24/61/76/510246176.db2.gz XMDLFWBYYAAUJG-UHFFFAOYSA-N 1 0 357.410 2.807 20 5 FFBDRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000181043561 510254172 /nfs/dbraw/zinc/25/41/72/510254172.db2.gz AJLWKKIOMZBWKV-CYBMUJFWSA-N 1 0 363.439 2.662 20 5 FFBDRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000184335624 510269440 /nfs/dbraw/zinc/26/94/40/510269440.db2.gz XOJKFCKLLFSADQ-UHFFFAOYSA-N 1 0 360.389 2.520 20 5 FFBDRO CC(C)[C@@H](CNc1ccc2ncccc2c1[N+](=O)[O-])[NH+]1CCN(C)CC1 ZINC000194262591 510284340 /nfs/dbraw/zinc/28/43/40/510284340.db2.gz HWROSQFWMIMGEG-GOSISDBHSA-N 1 0 357.458 2.827 20 5 FFBDRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000269196427 510286556 /nfs/dbraw/zinc/28/65/56/510286556.db2.gz VGKYMIOJNIUDLL-GZMMTYOYSA-N 1 0 374.210 2.838 20 5 FFBDRO CC1CCN(c2ccc(C(=O)NCCc3ncc[nH]3)cc2[N+](=O)[O-])CC1 ZINC000174750935 510290419 /nfs/dbraw/zinc/29/04/19/510290419.db2.gz PCMQJVFRHIXHTE-UHFFFAOYSA-N 1 0 357.414 2.527 20 5 FFBDRO [NH3+]CCCn1ccc2cc(C(=O)NCCc3ccc([N+](=O)[O-])cc3)ccc21 ZINC000269240408 510303698 /nfs/dbraw/zinc/30/36/98/510303698.db2.gz ICROIQOTKSAGLN-UHFFFAOYSA-N 1 0 366.421 2.871 20 5 FFBDRO COc1cc(C[N@@H+]2CCC[C@H](C3(C)OCCO3)C2)c([N+](=O)[O-])cc1F ZINC000184404250 510307561 /nfs/dbraw/zinc/30/75/61/510307561.db2.gz HDWHRHNQMYRHTH-ZDUSSCGKSA-N 1 0 354.378 2.718 20 5 FFBDRO CCC[N@H+](C)C[C@H]1CCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000246255294 510392215 /nfs/dbraw/zinc/39/22/15/510392215.db2.gz UBHJHXDLEJKOET-HZPDHXFCSA-N 1 0 362.474 2.894 20 5 FFBDRO COc1cc(C(=O)NCCC[N@@H+]2CCCC[C@H]2C)cc([N+](=O)[O-])c1OC ZINC000266087566 510402222 /nfs/dbraw/zinc/40/22/22/510402222.db2.gz PIHKQAZBXSLQME-CYBMUJFWSA-N 1 0 365.430 2.606 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1cccc(O)c1 ZINC000181533750 510459360 /nfs/dbraw/zinc/45/93/60/510459360.db2.gz SEMDTVAYVBLDRG-VXGBXAGGSA-N 1 0 359.382 2.987 20 5 FFBDRO C[C@H](NC(=O)CN(C)c1ccccc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181547839 510465957 /nfs/dbraw/zinc/46/59/57/510465957.db2.gz IWEGGORCUWLMNP-JKSUJKDBSA-N 1 0 374.485 2.800 20 5 FFBDRO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000184730316 510487760 /nfs/dbraw/zinc/48/77/60/510487760.db2.gz VRIKDTPKIJSWMD-NSHDSACASA-N 1 0 352.822 2.532 20 5 FFBDRO Nc1c(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc(F)cc1[N+](=O)[O-] ZINC000194747084 510509786 /nfs/dbraw/zinc/50/97/86/510509786.db2.gz CGYFZLBKCSDJKP-AWEZNQCLSA-N 1 0 372.400 2.568 20 5 FFBDRO CC(C)CC[NH+]1CCC(CNC(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000175169351 510515260 /nfs/dbraw/zinc/51/52/60/510515260.db2.gz ABKZBXGAEQYKFJ-UHFFFAOYSA-N 1 0 363.458 2.848 20 5 FFBDRO CCN(CCC[NH+]1CCCC1)C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000188109027 510596998 /nfs/dbraw/zinc/59/69/98/510596998.db2.gz HZMAKCFBCDEXCR-UHFFFAOYSA-N 1 0 371.441 2.729 20 5 FFBDRO CCN(CCC[NH+]1CCCC1)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC000188115151 510600707 /nfs/dbraw/zinc/60/07/07/510600707.db2.gz JMPIAJMSBCGFKV-UHFFFAOYSA-N 1 0 364.402 2.759 20 5 FFBDRO COc1ccccc1CCNC(=O)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181835646 510617241 /nfs/dbraw/zinc/61/72/41/510617241.db2.gz JCHIVXLLBAEOJD-OAHLLOKOSA-N 1 0 371.437 2.921 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000191359864 510622947 /nfs/dbraw/zinc/62/29/47/510622947.db2.gz FYDUXNAVZOSVGT-HNNXBMFYSA-N 1 0 364.446 2.786 20 5 FFBDRO CCC1(CC)[C@@H]([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C[C@@H]1OC ZINC000191373831 510628033 /nfs/dbraw/zinc/62/80/33/510628033.db2.gz LXIDLIDJOLOCQV-HOTGVXAUSA-N 1 0 365.430 2.725 20 5 FFBDRO CCN(CCC[NH+](CC)CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000188248720 510669339 /nfs/dbraw/zinc/66/93/39/510669339.db2.gz ZBVIEGGUVPWQQO-UHFFFAOYSA-N 1 0 357.476 2.646 20 5 FFBDRO C[C@@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1cccc(F)c1F ZINC000181976546 510688089 /nfs/dbraw/zinc/68/80/89/510688089.db2.gz VXCOLQSKLAWEMV-YPMHNXCESA-N 1 0 352.337 2.964 20 5 FFBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N1CCC[N@@H+](C2CCCC2)CC1 ZINC000172421889 510718729 /nfs/dbraw/zinc/71/87/29/510718729.db2.gz XRDYTAQMGODDDI-UHFFFAOYSA-N 1 0 360.458 2.874 20 5 FFBDRO C[NH+](C)CCOc1cc(CNc2c3c(ccc2[N+](=O)[O-])NCC3)ccn1 ZINC000195269067 510749188 /nfs/dbraw/zinc/74/91/88/510749188.db2.gz MENAFMMBLHQUHV-UHFFFAOYSA-N 1 0 357.414 2.510 20 5 FFBDRO Cc1cc(N2CCC[C@@H]([N@H+](C)CC(=O)[O-])CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000263564719 510750436 /nfs/dbraw/zinc/75/04/36/510750436.db2.gz VBQRZISTLPRSOV-CQSZACIVSA-N 1 0 372.425 2.827 20 5 FFBDRO COCCC[NH+]1CCC(Nc2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000270333401 510765531 /nfs/dbraw/zinc/76/55/31/510765531.db2.gz CHYFRDKQXCEIIG-UHFFFAOYSA-N 1 0 373.251 2.665 20 5 FFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H](CN2CCOCC2)c2ccccc2)cc1 ZINC000182165732 510790226 /nfs/dbraw/zinc/79/02/26/510790226.db2.gz NPPGCZMKIARLTL-HXUWFJFHSA-N 1 0 355.438 2.800 20 5 FFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000185286477 510790893 /nfs/dbraw/zinc/79/08/93/510790893.db2.gz TVOOOHFBQBCUEM-OAHLLOKOSA-N 1 0 359.430 2.560 20 5 FFBDRO Cc1cccc(OCC[N@@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000182190916 510805365 /nfs/dbraw/zinc/80/53/65/510805365.db2.gz ZTHKRDUEMGHUST-INIZCTEOSA-N 1 0 360.410 2.654 20 5 FFBDRO COc1cccc(N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1[N+](=O)[O-] ZINC000185335489 510812000 /nfs/dbraw/zinc/81/20/00/510812000.db2.gz HQKDAJKKIDNYSB-GASCZTMLSA-N 1 0 363.458 2.929 20 5 FFBDRO COc1cc(C(=O)NCC[C@@H](C)[NH+]2CCCCC2)c([N+](=O)[O-])cc1OC ZINC000182221661 510820070 /nfs/dbraw/zinc/82/00/70/510820070.db2.gz BWDWZLJBPRMZKS-CYBMUJFWSA-N 1 0 365.430 2.606 20 5 FFBDRO CCn1cc([N+](=O)[O-])c(C(=O)NCc2ccccc2C[N@H+](C)C(C)C)n1 ZINC000191774202 510825360 /nfs/dbraw/zinc/82/53/60/510825360.db2.gz HNIOJLUZNNDISL-UHFFFAOYSA-N 1 0 359.430 2.581 20 5 FFBDRO COc1ccccc1C[C@H](C)[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000247486885 510862763 /nfs/dbraw/zinc/86/27/63/510862763.db2.gz KQKPZJQNADDTID-MAUKXSAKSA-N 1 0 374.437 2.906 20 5 FFBDRO CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cccc(C[NH2+]C)c2)cc1OC ZINC000297268276 510879540 /nfs/dbraw/zinc/87/95/40/510879540.db2.gz SIBHJMSVIAGPTO-UHFFFAOYSA-N 1 0 359.382 2.974 20 5 FFBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000360341609 510899765 /nfs/dbraw/zinc/89/97/65/510899765.db2.gz GOUYEPYYYAUQFJ-RYUDHWBXSA-N 1 0 368.231 2.714 20 5 FFBDRO COc1cc(C(=O)NCCCCC[NH+]2CCCC2)cc([N+](=O)[O-])c1OC ZINC000293954076 510909794 /nfs/dbraw/zinc/90/97/94/510909794.db2.gz PBUCZKPZWXDLLH-UHFFFAOYSA-N 1 0 365.430 2.608 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(C)CCC[N@@H+](C)CCN(C)C ZINC000297343061 510910277 /nfs/dbraw/zinc/91/02/77/510910277.db2.gz DPPZBULDLYWSDT-UHFFFAOYSA-N 1 0 365.478 2.559 20 5 FFBDRO CO[C@@H](C)CN(C)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000285451498 510911681 /nfs/dbraw/zinc/91/16/81/510911681.db2.gz ABFOPFLQVLZHBR-NSHDSACASA-N 1 0 364.427 2.624 20 5 FFBDRO C[C@@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)CC2(CCOCC2)O1 ZINC000279066520 511018108 /nfs/dbraw/zinc/01/81/08/511018108.db2.gz ABLDQHGAAATZPN-OAHLLOKOSA-N 1 0 350.415 2.634 20 5 FFBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000286266431 511022109 /nfs/dbraw/zinc/02/21/09/511022109.db2.gz VVHSKNWMCNQJGX-WIEQDCTASA-N 1 0 363.461 2.657 20 5 FFBDRO C[NH+](C)CCN(Cc1cccs1)C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000279397225 511069064 /nfs/dbraw/zinc/06/90/64/511069064.db2.gz JHYQDGRDRWYWDC-UHFFFAOYSA-N 1 0 366.418 2.582 20 5 FFBDRO COc1ccccc1[C@@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])[NH+]1CCCC1 ZINC000294525615 511093206 /nfs/dbraw/zinc/09/32/06/511093206.db2.gz ZBIKYNHRWKVFBW-MRXNPFEDSA-N 1 0 363.458 2.784 20 5 FFBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000362390240 511185214 /nfs/dbraw/zinc/18/52/14/511185214.db2.gz UBMSUHNAWKJXIH-IRXDYDNUSA-N 1 0 372.469 2.554 20 5 FFBDRO C[C@@H](O)C[C@H]1CCCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000279716830 511188343 /nfs/dbraw/zinc/18/83/43/511188343.db2.gz INFUBNLXAWDBFO-CHWSQXEVSA-N 1 0 353.394 2.688 20 5 FFBDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)Nc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000282992145 511192301 /nfs/dbraw/zinc/19/23/01/511192301.db2.gz NASRDCPSKDDXGQ-INIZCTEOSA-N 1 0 370.409 2.999 20 5 FFBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000365099731 511256612 /nfs/dbraw/zinc/25/66/12/511256612.db2.gz MROLQGGKUUVPTR-NEPJUHHUSA-N 1 0 355.797 2.673 20 5 FFBDRO C[C@H]1C[C@H](NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000295140375 511296016 /nfs/dbraw/zinc/29/60/16/511296016.db2.gz OLZADTSOGNCDQA-ONGXEEELSA-N 1 0 357.332 2.969 20 5 FFBDRO O=C(c1cc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000363021319 511301311 /nfs/dbraw/zinc/30/13/11/511301311.db2.gz KZZOMSODTICKCX-JKSUJKDBSA-N 1 0 358.442 2.870 20 5 FFBDRO COC(=O)CCC[NH+]1CCC(NCc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000271785899 511323996 /nfs/dbraw/zinc/32/39/96/511323996.db2.gz HTKRIWWXTAHEFA-UHFFFAOYSA-N 1 0 369.849 2.755 20 5 FFBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)c3cc(C(F)(F)F)ccc3[N+](=O)[O-])C2)C1 ZINC000295223219 511327271 /nfs/dbraw/zinc/32/72/71/511327271.db2.gz BHEUAZHFCBKNHB-HNNXBMFYSA-N 1 0 357.332 2.781 20 5 FFBDRO O=C(CC[N@H+]1CC[C@@](CO)(c2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000291817946 511350645 /nfs/dbraw/zinc/35/06/45/511350645.db2.gz NSMGKTAYVCQMEB-HXUWFJFHSA-N 1 0 369.421 2.559 20 5 FFBDRO O=C(CC[N@H+]1CC[C@](CO)(c2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000291817944 511351193 /nfs/dbraw/zinc/35/11/93/511351193.db2.gz NSMGKTAYVCQMEB-FQEVSTJZSA-N 1 0 369.421 2.559 20 5 FFBDRO Cc1cc(Cl)c(C(=O)NC[C@@]2([NH+](C)C)CCSC2)cc1[N+](=O)[O-] ZINC000295364432 511378466 /nfs/dbraw/zinc/37/84/66/511378466.db2.gz RGYBVLDVDNDFPS-HNNXBMFYSA-N 1 0 357.863 2.724 20 5 FFBDRO CC1CCN(c2ccc(C(=O)NCC3=CC[N@H+](C)CC3)cc2[N+](=O)[O-])CC1 ZINC000272052854 511415079 /nfs/dbraw/zinc/41/50/79/511415079.db2.gz ZVZBQOQYUKAPSH-UHFFFAOYSA-N 1 0 372.469 2.823 20 5 FFBDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000363271885 511454991 /nfs/dbraw/zinc/45/49/91/511454991.db2.gz VRSWUOXASQTPPP-MRXNPFEDSA-N 1 0 354.410 2.524 20 5 FFBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)C1 ZINC000272226449 511470704 /nfs/dbraw/zinc/47/07/04/511470704.db2.gz JGYLYEUCMQCGFE-GOEBONIOSA-N 1 0 360.458 2.640 20 5 FFBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC[N@@H+](C2CCCC2)CC1 ZINC000365480206 511475211 /nfs/dbraw/zinc/47/52/11/511475211.db2.gz HAURZZXRCARDLP-OAHLLOKOSA-N 1 0 360.458 2.872 20 5 FFBDRO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000363390000 511520494 /nfs/dbraw/zinc/52/04/94/511520494.db2.gz HQSKLIJHDNPTMO-HNNXBMFYSA-N 1 0 369.425 2.527 20 5 FFBDRO COc1cccc([C@H](CNC(=O)c2cc(F)ccc2[N+](=O)[O-])[NH+](C)C)c1 ZINC000299324416 511593044 /nfs/dbraw/zinc/59/30/44/511593044.db2.gz DCICMSTXSSWBPE-KRWDZBQOSA-N 1 0 361.373 2.775 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000292463840 511606701 /nfs/dbraw/zinc/60/67/01/511606701.db2.gz AEJQPSPANMIXOO-CYBMUJFWSA-N 1 0 362.430 2.942 20 5 FFBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)CC[C@@H]21 ZINC000273852531 511631845 /nfs/dbraw/zinc/63/18/45/511631845.db2.gz LUCDHSZCBDYIBY-GUYCJALGSA-N 1 0 363.433 2.954 20 5 FFBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)CC[C@H]21 ZINC000273852534 511632671 /nfs/dbraw/zinc/63/26/71/511632671.db2.gz LUCDHSZCBDYIBY-SUMWQHHRSA-N 1 0 363.433 2.954 20 5 FFBDRO NC(=O)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCCC[C@@H]2O)c([N+](=O)[O-])c1 ZINC000280958107 511667337 /nfs/dbraw/zinc/66/73/37/511667337.db2.gz JKDRNTJSEKQQJC-NUJGCVRESA-N 1 0 361.442 2.599 20 5 FFBDRO NC(=O)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@@H]2O)c([N+](=O)[O-])c1 ZINC000280958093 511667382 /nfs/dbraw/zinc/66/73/82/511667382.db2.gz JKDRNTJSEKQQJC-JZXOWHBKSA-N 1 0 361.442 2.599 20 5 FFBDRO C[NH+]1CCC(CCNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000273955515 511668518 /nfs/dbraw/zinc/66/85/18/511668518.db2.gz NPNOSVILGHIMTD-UHFFFAOYSA-N 1 0 351.422 2.860 20 5 FFBDRO C[C@H]([NH2+]C1CCN(Cc2ccncc2)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284303330 511675149 /nfs/dbraw/zinc/67/51/49/511675149.db2.gz YTZBCURLWCAHTG-AWEZNQCLSA-N 1 0 355.442 2.887 20 5 FFBDRO C[NH+](C)CC1(NC(=O)c2cc([N+](=O)[O-])ccc2Br)CCC1 ZINC000281016425 511689987 /nfs/dbraw/zinc/68/99/87/511689987.db2.gz GCZSXHMTSRTVLJ-UHFFFAOYSA-N 1 0 356.220 2.571 20 5 FFBDRO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@H+](CCC4CCOCC4)CC3)nc2c1 ZINC000292862026 511749068 /nfs/dbraw/zinc/74/90/68/511749068.db2.gz GVDWIVURQFCZIG-UHFFFAOYSA-N 1 0 373.457 2.800 20 5 FFBDRO COc1cccc(-c2nc([C@@H]3C[N@@H+]4CCC[C@@]4(C)CO3)no2)c1[N+](=O)[O-] ZINC000350346476 511785692 /nfs/dbraw/zinc/78/56/92/511785692.db2.gz ARINAHLAGUCPHW-GUYCJALGSA-N 1 0 360.370 2.579 20 5 FFBDRO Cc1ccc(S(=O)(=O)N[C@H](CCC[NH3+])c2ccccc2)cc1[N+](=O)[O-] ZINC000327803495 511882192 /nfs/dbraw/zinc/88/21/92/511882192.db2.gz GHVIKHQDEGWMGK-MRXNPFEDSA-N 1 0 363.439 2.662 20 5 FFBDRO C[C@H]([NH2+]CCNc1nccc(C(F)(F)F)n1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293276307 511904955 /nfs/dbraw/zinc/90/49/55/511904955.db2.gz CMWFDJATMREFEZ-VIFPVBQESA-N 1 0 370.335 2.749 20 5 FFBDRO NC(=O)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@H](O)c2ccccc2)c([N+](=O)[O-])c1 ZINC000364053267 511931648 /nfs/dbraw/zinc/93/16/48/511931648.db2.gz GRIDTLDJXYXCTE-IEBWSBKVSA-N 1 0 369.421 2.782 20 5 FFBDRO Cc1cccnc1C[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000274798810 511946066 /nfs/dbraw/zinc/94/60/66/511946066.db2.gz DYAALLIJLNMIPB-UHFFFAOYSA-N 1 0 366.425 2.887 20 5 FFBDRO Cn1nccc1[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000281963377 512029344 /nfs/dbraw/zinc/02/93/44/512029344.db2.gz GJJMIIZSGZYKIF-KRWDZBQOSA-N 1 0 357.414 2.884 20 5 FFBDRO CS[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C[C@@H]1[NH+]1CCCC1 ZINC000275140712 512054615 /nfs/dbraw/zinc/05/46/15/512054615.db2.gz PYEZSKKXAPKDTC-LSDHHAIUSA-N 1 0 369.874 2.900 20 5 FFBDRO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000366511995 512062117 /nfs/dbraw/zinc/06/21/17/512062117.db2.gz SXSSOBYKRLPXPE-ZDUSSCGKSA-N 1 0 368.231 2.668 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000297226083 512067936 /nfs/dbraw/zinc/06/79/36/512067936.db2.gz OKHYSFGZHXKHIW-WMZOPIPTSA-N 1 0 357.385 2.999 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(CC(=O)NCCC[NH+]2CCCCCC2)c1F ZINC000411160209 512497793 /nfs/dbraw/zinc/49/77/93/512497793.db2.gz XDUNWNDWSXYUQU-UHFFFAOYSA-N 1 0 367.421 2.667 20 5 FFBDRO CCOC(=O)C1(COC)CC[NH+](Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000373805321 512513453 /nfs/dbraw/zinc/51/34/53/512513453.db2.gz NQVDYHBSNZLIPO-UHFFFAOYSA-N 1 0 350.415 2.695 20 5 FFBDRO Cc1c(NC(=O)[C@H](C)N2CCC3(CCC[N@@H+]3C)CC2)cccc1[N+](=O)[O-] ZINC000371689983 512528773 /nfs/dbraw/zinc/52/87/73/512528773.db2.gz UQUQRPYTICISQF-HNNXBMFYSA-N 1 0 360.458 2.790 20 5 FFBDRO COc1ccc([C@H](CCO)[NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000411465460 512649259 /nfs/dbraw/zinc/64/92/59/512649259.db2.gz WSVNIBVBIMJZFP-SFHVURJKSA-N 1 0 373.409 2.645 20 5 FFBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCCC2(CC[NH+](C)CC2)C1 ZINC000374073948 512650544 /nfs/dbraw/zinc/65/05/44/512650544.db2.gz GKWSQBZRRHFKFB-HNNXBMFYSA-N 1 0 360.458 2.730 20 5 FFBDRO CCOc1ccccc1NC(=O)CC[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000411479014 512655372 /nfs/dbraw/zinc/65/53/72/512655372.db2.gz LRIHCPXFTAWIGD-UHFFFAOYSA-N 1 0 370.409 2.775 20 5 FFBDRO CC(C)[C@]1(CO)CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000368060157 512784368 /nfs/dbraw/zinc/78/43/68/512784368.db2.gz ZWWWURXREWKIIO-MRXNPFEDSA-N 1 0 355.822 2.527 20 5 FFBDRO CN1CC[C@H]([NH2+]CCn2ccc([N+](=O)[O-])n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000368059917 512785087 /nfs/dbraw/zinc/78/50/87/512785087.db2.gz YYKMZHADEITNNA-HOCLYGCPSA-N 1 0 367.812 2.619 20 5 FFBDRO CN1CC[C@@H]([NH2+]CCn2ccc([N+](=O)[O-])n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000368059915 512785105 /nfs/dbraw/zinc/78/51/05/512785105.db2.gz YYKMZHADEITNNA-GDBMZVCRSA-N 1 0 367.812 2.619 20 5 FFBDRO Cc1c(NC(=O)CC[N@@H+]2CC[C@@H](C3CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000374356449 512786984 /nfs/dbraw/zinc/78/69/84/512786984.db2.gz IDRBWOYXGJNHJX-MRXNPFEDSA-N 1 0 361.442 2.980 20 5 FFBDRO O=C(CC[N@@H+]1CC[C@@H](Oc2ccncc2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000376550495 512868197 /nfs/dbraw/zinc/86/81/97/512868197.db2.gz FJBILPKBLOYAAH-OAHLLOKOSA-N 1 0 374.372 2.611 20 5 FFBDRO O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCC2(C1)CC[NH2+]CC2 ZINC000374515543 512868379 /nfs/dbraw/zinc/86/83/79/512868379.db2.gz VQCVRNZDRHAJGJ-UHFFFAOYSA-N 1 0 372.450 2.934 20 5 FFBDRO NC(=O)[C@]1(c2ccccc2)CC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000411963904 512892771 /nfs/dbraw/zinc/89/27/71/512892771.db2.gz IADPXPPUHVLHII-GOSISDBHSA-N 1 0 359.813 2.877 20 5 FFBDRO CNc1ccc(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000389952305 512904105 /nfs/dbraw/zinc/90/41/05/512904105.db2.gz SNMINEUWGIKXND-KDOFPFPSSA-N 1 0 368.437 2.887 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H](c1ccccc1)[C@H]1CCOC1 ZINC000374593395 512907103 /nfs/dbraw/zinc/90/71/03/512907103.db2.gz JFTIWHXXQIGPAW-QKLQHJQFSA-N 1 0 372.421 2.702 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3C[C@@H]4CC[C@@H](O)C[C@@H]4C3)o2)c1 ZINC000412051300 512933596 /nfs/dbraw/zinc/93/35/96/512933596.db2.gz WGYXRCQMSXUIHN-ZMSDIMECSA-N 1 0 357.410 2.885 20 5 FFBDRO Cc1cc([N+](=O)[O-])cnc1NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397589480 512947967 /nfs/dbraw/zinc/94/79/67/512947967.db2.gz IVIWDMFPKDJMAG-UHFFFAOYSA-N 1 0 356.426 2.737 20 5 FFBDRO C[C@@]1(NC(=O)c2cccc([N+](=O)[O-])c2N)CC[N@H+](Cc2ccccc2)C1 ZINC000406030314 512973280 /nfs/dbraw/zinc/97/32/80/512973280.db2.gz JUPMPPWNYQSRLS-LJQANCHMSA-N 1 0 354.410 2.571 20 5 FFBDRO C[C@H]1CCCN(c2ccc(C(=O)N3CC[NH+]4CCC3CC4)cc2[N+](=O)[O-])C1 ZINC000408162579 513011892 /nfs/dbraw/zinc/01/18/92/513011892.db2.gz XPNDOYFZRVFXLW-HNNXBMFYSA-N 1 0 372.469 2.751 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@H]2CCO[C@@]3(CCSC3)C2)n1 ZINC000408289728 513038920 /nfs/dbraw/zinc/03/89/20/513038920.db2.gz IVOXKICUOWMVBS-MPTYRVRUSA-N 1 0 366.487 2.919 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])cc1Br)N(C1CC1)C1CC[NH2+]CC1 ZINC000370787121 513099419 /nfs/dbraw/zinc/09/94/19/513099419.db2.gz LYUZMUZICQBABQ-UHFFFAOYSA-N 1 0 368.231 2.714 20 5 FFBDRO Cc1noc(C)c1CO[C@@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000368848225 513120994 /nfs/dbraw/zinc/12/09/94/513120994.db2.gz VBGHIJQQJDMJDQ-QGZVFWFLSA-N 1 0 361.398 2.870 20 5 FFBDRO CC(C)c1n[nH]c(C(=O)N(CC[NH+](C)C)C2CCCCC2)c1[N+](=O)[O-] ZINC000433748766 513141453 /nfs/dbraw/zinc/14/14/53/513141453.db2.gz MHBQAHWTUMRYRY-UHFFFAOYSA-N 1 0 351.451 2.778 20 5 FFBDRO Cn1c(Sc2nccc3c2cccc3[N+](=O)[O-])nnc1[C@@H]1CCC[NH2+]C1 ZINC000450342160 513150212 /nfs/dbraw/zinc/15/02/12/513150212.db2.gz QNXKOEQVNYHGBF-LLVKDONJSA-N 1 0 370.438 2.890 20 5 FFBDRO CC(C)c1n[nH]c(C(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000433826960 513161397 /nfs/dbraw/zinc/16/13/97/513161397.db2.gz UPBATGFHYLQKBN-AWEZNQCLSA-N 1 0 365.478 2.928 20 5 FFBDRO Cc1ccc(NCCCNC(=O)N(C)CC[C@@H]([NH3+])C(C)C)c([N+](=O)[O-])c1 ZINC000417718559 513178980 /nfs/dbraw/zinc/17/89/80/513178980.db2.gz OLDZHEMPWAJOIZ-OAHLLOKOSA-N 1 0 365.478 2.720 20 5 FFBDRO C[C@@H](O)C[N@@H+]1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)[C@@H](C)C1 ZINC000450459019 513204043 /nfs/dbraw/zinc/20/40/43/513204043.db2.gz VTXBGMDCMNBDQZ-QWHCGFSZSA-N 1 0 362.455 2.610 20 5 FFBDRO C[C@@H](O)C[N@@H+]1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)[C@H](C)C1 ZINC000450459017 513204624 /nfs/dbraw/zinc/20/46/24/513204624.db2.gz VTXBGMDCMNBDQZ-CHWSQXEVSA-N 1 0 362.455 2.610 20 5 FFBDRO C[C@@H]([NH3+])C1CCN(C(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000428899821 513218882 /nfs/dbraw/zinc/21/88/82/513218882.db2.gz GKVJERFWOWAPQG-GHMZBOCLSA-N 1 0 355.822 2.601 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)c1C ZINC000440080057 513243627 /nfs/dbraw/zinc/24/36/27/513243627.db2.gz QJAMHRIVIRAFSB-GXTWGEPZSA-N 1 0 369.487 2.610 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000428994675 513243909 /nfs/dbraw/zinc/24/39/09/513243909.db2.gz PJOYOFYKABARLM-JCKWVBRZSA-N 1 0 360.458 2.504 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000429022035 513257157 /nfs/dbraw/zinc/25/71/57/513257157.db2.gz RBXIZWHAVKIKAC-JCKWVBRZSA-N 1 0 360.458 2.504 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000429024030 513259058 /nfs/dbraw/zinc/25/90/58/513259058.db2.gz GKGYHMQRHGBYCR-YSVLISHTSA-N 1 0 360.458 2.504 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000429024028 513260275 /nfs/dbraw/zinc/26/02/75/513260275.db2.gz GKGYHMQRHGBYCR-UKPHBRMFSA-N 1 0 360.458 2.504 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCc2ccc([C@@H](C)[NH3+])cc2)c1C ZINC000440420225 513317657 /nfs/dbraw/zinc/31/76/57/513317657.db2.gz LVVSWAIPMXXLOJ-CYBMUJFWSA-N 1 0 363.439 2.710 20 5 FFBDRO CC[NH2+]CC1CCN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000417994480 513322326 /nfs/dbraw/zinc/32/23/26/513322326.db2.gz RDNDJSSHSDRKOH-UHFFFAOYSA-N 1 0 368.865 2.822 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1Cc2cccc(O)c2C1 ZINC000429324127 513341226 /nfs/dbraw/zinc/34/12/26/513341226.db2.gz BHTVHMQJKMAYGS-CQSZACIVSA-N 1 0 355.394 2.694 20 5 FFBDRO CN(C(=O)c1cc([N+](=O)[O-])c[nH]1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000434496736 513343049 /nfs/dbraw/zinc/34/30/49/513343049.db2.gz KGMQAMYQYDDRAZ-UHFFFAOYSA-N 1 0 358.398 2.674 20 5 FFBDRO C[C@H]1CN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC[N@@H+](C2CCC2)C1 ZINC000429370539 513355771 /nfs/dbraw/zinc/35/57/71/513355771.db2.gz FJSMAATWZVLBAN-BEFAXECRSA-N 1 0 372.469 2.506 20 5 FFBDRO Cc1c(NC(=O)NC[C@H]([NH3+])C2CC2)cc(Br)cc1[N+](=O)[O-] ZINC000415656779 513365353 /nfs/dbraw/zinc/36/53/53/513365353.db2.gz LPAQIBRWCZFMFH-JTQLQIEISA-N 1 0 357.208 2.525 20 5 FFBDRO C[C@H](NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H]1CCC[NH2+]C1 ZINC000418087042 513367300 /nfs/dbraw/zinc/36/73/00/513367300.db2.gz FWAZTCDBSRIRJX-JQWIXIFHSA-N 1 0 374.363 2.801 20 5 FFBDRO O=C(NCCC[NH2+]C1CC1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000418088930 513368112 /nfs/dbraw/zinc/36/81/12/513368112.db2.gz LEDOMSHJFAPZBJ-UHFFFAOYSA-N 1 0 360.336 2.555 20 5 FFBDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000418088948 513368213 /nfs/dbraw/zinc/36/82/13/513368213.db2.gz LGSCXJFIQGPCTQ-JQWIXIFHSA-N 1 0 374.363 2.882 20 5 FFBDRO C[C@@H]1CCN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C[C@H]1C[NH3+] ZINC000418092002 513368541 /nfs/dbraw/zinc/36/85/41/513368541.db2.gz QOYMRMFVDRUVEW-ZYHUDNBSSA-N 1 0 374.363 2.740 20 5 FFBDRO C[C@]1(CNC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CCC[NH2+]C1 ZINC000418096379 513370373 /nfs/dbraw/zinc/37/03/73/513370373.db2.gz XAAOGEBTJNASRH-HNNXBMFYSA-N 1 0 374.363 2.803 20 5 FFBDRO COc1ccc(OCC[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c([N+](=O)[O-])c1 ZINC000450859052 513371563 /nfs/dbraw/zinc/37/15/63/513371563.db2.gz LRSNZDUUEBFRKV-QGTPRVQTSA-N 1 0 362.426 2.920 20 5 FFBDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415689236 513382196 /nfs/dbraw/zinc/38/21/96/513382196.db2.gz CWMGPDHQKMZGNI-RKDXNWHRSA-N 1 0 357.208 2.558 20 5 FFBDRO CC1(NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000415708143 513392735 /nfs/dbraw/zinc/39/27/35/513392735.db2.gz XAOPLHGGDOELIB-UHFFFAOYSA-N 1 0 357.208 2.621 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000421785612 513426708 /nfs/dbraw/zinc/42/67/08/513426708.db2.gz LEASWFGJAQZBEA-MRXNPFEDSA-N 1 0 361.442 2.539 20 5 FFBDRO O=C(CC1CC[NH2+]CC1)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000429796539 513468276 /nfs/dbraw/zinc/46/82/76/513468276.db2.gz XCTODDFYOFVTIJ-UHFFFAOYSA-N 1 0 374.363 2.531 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]Cc2ccc3c(c2)OCCO3)n1 ZINC000447513656 513494250 /nfs/dbraw/zinc/49/42/50/513494250.db2.gz YACGPVDGFLJCRK-LSDHHAIUSA-N 1 0 358.398 2.836 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCn2cnc3ccccc32)n1 ZINC000447535842 513501093 /nfs/dbraw/zinc/50/10/93/513501093.db2.gz IUGDURBQYRUFCG-NVXWUHKLSA-N 1 0 354.414 2.915 20 5 FFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCN2CCc3ccccc3C2)n1 ZINC000447538025 513502268 /nfs/dbraw/zinc/50/22/68/513502268.db2.gz ABUYTNHCVNZIDC-MOPGFXCFSA-N 1 0 369.469 2.923 20 5 FFBDRO CO[C@H](CC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)C(F)(F)F ZINC000447597169 513519189 /nfs/dbraw/zinc/51/91/89/513519189.db2.gz FONNARSXUSUWBP-SDDRHHMPSA-N 1 0 350.341 2.832 20 5 FFBDRO C[C@@H]1CN(c2nccc3ccc([N+](=O)[O-])cc32)CCN1C1CC[NH+](C)CC1 ZINC000413219385 513527946 /nfs/dbraw/zinc/52/79/46/513527946.db2.gz MJEKWXZPVSRUAK-OAHLLOKOSA-N 1 0 369.469 2.748 20 5 FFBDRO CC[NH+]1CCC(N2CCCN(C(=O)c3c(C)cccc3[N+](=O)[O-])CC2)CC1 ZINC000422026756 513532189 /nfs/dbraw/zinc/53/21/89/513532189.db2.gz VOOZYSAOJOTDKQ-UHFFFAOYSA-N 1 0 374.485 2.535 20 5 FFBDRO O=C(Cn1c2ccccc2c(=O)c2ccccc21)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000435229219 513538935 /nfs/dbraw/zinc/53/89/35/513538935.db2.gz FRAZLWSEWOIWST-INIZCTEOSA-N 1 0 361.445 2.508 20 5 FFBDRO O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435247448 513542734 /nfs/dbraw/zinc/54/27/34/513542734.db2.gz WTIHGZRZLKEJKR-CQSZACIVSA-N 1 0 358.423 2.685 20 5 FFBDRO CC(C)(C)N1CC[C@H]([NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C1=O ZINC000425401332 513544551 /nfs/dbraw/zinc/54/45/51/513544551.db2.gz BWDZBFVIBADTDV-KRWDZBQOSA-N 1 0 361.442 2.837 20 5 FFBDRO C[NH+](C)[C@H]1CCOc2c(NC(=O)COc3ccc([N+](=O)[O-])cc3)cccc21 ZINC000447725352 513552417 /nfs/dbraw/zinc/55/24/17/513552417.db2.gz BVSCJVWPSPAQRA-KRWDZBQOSA-N 1 0 371.393 2.998 20 5 FFBDRO COc1ccc(CN2CCC[NH2+]CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000435381620 513570990 /nfs/dbraw/zinc/57/09/90/513570990.db2.gz WZYYEUSRDZZHJH-UHFFFAOYSA-N 1 0 371.437 2.978 20 5 FFBDRO CC(C)[NH+](CCNc1cc(CN2CCOCC2)ccc1[N+](=O)[O-])C(C)C ZINC000447803708 513574641 /nfs/dbraw/zinc/57/46/41/513574641.db2.gz BLLHYXJOGUEPSU-UHFFFAOYSA-N 1 0 364.490 2.958 20 5 FFBDRO CC(C)OC[C@@H](CO)N(C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425467145 513581892 /nfs/dbraw/zinc/58/18/92/513581892.db2.gz BIHFCZXPSHOZCX-CYBMUJFWSA-N 1 0 361.236 2.575 20 5 FFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000418659399 513598929 /nfs/dbraw/zinc/59/89/29/513598929.db2.gz LRWSGLNAYXBOEM-ZWKOTPCHSA-N 1 0 360.458 2.903 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]CCN3C[C@H]4CC[C@@H](C3)O4)o2)c1 ZINC000451223334 513606073 /nfs/dbraw/zinc/60/60/73/513606073.db2.gz RJBMFRYCUDNLSU-HDICACEKSA-N 1 0 357.410 2.808 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000430395208 513643434 /nfs/dbraw/zinc/64/34/34/513643434.db2.gz QNAYXDSEWQVMHU-GXTWGEPZSA-N 1 0 369.849 2.958 20 5 FFBDRO Cc1cc(OCC(=O)N(CC[NH+](C)C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000430412760 513647557 /nfs/dbraw/zinc/64/75/57/513647557.db2.gz FAMFCUOFPSJTCV-UHFFFAOYSA-N 1 0 357.410 2.877 20 5 FFBDRO Cc1cc(NC(=O)Cc2cccc([N+](=O)[O-])c2)n(C2CC[NH+](C)CC2)n1 ZINC000430436965 513654177 /nfs/dbraw/zinc/65/41/77/513654177.db2.gz FEJCVSHNVMAIQT-UHFFFAOYSA-N 1 0 357.414 2.548 20 5 FFBDRO O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000418779771 513655426 /nfs/dbraw/zinc/65/54/26/513655426.db2.gz BINGRNIIZSATSI-OWCLPIDISA-N 1 0 358.442 2.657 20 5 FFBDRO COc1ccccc1CCNC(=O)C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000435752657 513676891 /nfs/dbraw/zinc/67/68/91/513676891.db2.gz ZARRFSAXRQYGKV-TWGQIWQCSA-N 1 0 369.421 2.565 20 5 FFBDRO COc1cccc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000435903321 513711649 /nfs/dbraw/zinc/71/16/49/513711649.db2.gz QQDSMACQWQSIRS-MRXNPFEDSA-N 1 0 369.421 2.950 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCC[C@@H]3[C@H]3CCC[C@@H]3O)o2)cc1 ZINC000451413369 513734383 /nfs/dbraw/zinc/73/43/83/513734383.db2.gz GYWMJTHVVZRYPU-OAGGEKHMSA-N 1 0 358.398 2.770 20 5 FFBDRO C[NH+](C)[C@@H](CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)C1CC1 ZINC000436062473 513749025 /nfs/dbraw/zinc/74/90/25/513749025.db2.gz RGYAGRWGZLDHEM-KRWDZBQOSA-N 1 0 367.424 2.890 20 5 FFBDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])C1 ZINC000448419314 513753757 /nfs/dbraw/zinc/75/37/57/513753757.db2.gz VQIGTTRZBFWOBZ-ZDUSSCGKSA-N 1 0 351.451 2.539 20 5 FFBDRO COc1ccc(OCC[NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)c([N+](=O)[O-])c1 ZINC000451477164 513773911 /nfs/dbraw/zinc/77/39/11/513773911.db2.gz HITQEOZKFKVZDP-KBRIMQKVSA-N 1 0 350.415 2.775 20 5 FFBDRO Nc1c(C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)cc(F)cc1[N+](=O)[O-] ZINC000436230358 513802865 /nfs/dbraw/zinc/80/28/65/513802865.db2.gz HUQXDYGJVBXZHR-AWEZNQCLSA-N 1 0 364.421 2.843 20 5 FFBDRO O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)NC1CC[NH+](CC2CC2)CC1 ZINC000448730914 513869020 /nfs/dbraw/zinc/86/90/20/513869020.db2.gz BVKZAKFYUZYRDA-UHFFFAOYSA-N 1 0 359.426 2.548 20 5 FFBDRO Cc1ccc(Sc2ccc(C[NH2+][C@H](CO)[C@@H](C)O)cc2[N+](=O)[O-])cc1 ZINC000419817313 513940520 /nfs/dbraw/zinc/94/05/20/513940520.db2.gz RIHCJLYTQZKFKC-CZUORRHYSA-N 1 0 362.451 2.886 20 5 FFBDRO CCC1(c2ccccc2)C[NH+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000414139449 513985291 /nfs/dbraw/zinc/98/52/91/513985291.db2.gz IJDYINZUCJGEJQ-SFHVURJKSA-N 1 0 356.422 2.998 20 5 FFBDRO Cc1cc(OCC(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000431836427 514014309 /nfs/dbraw/zinc/01/43/09/514014309.db2.gz RFLZKGRCBSZKNE-KRWDZBQOSA-N 1 0 371.437 2.571 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccccc1Cn1cncn1 ZINC000449056585 514055564 /nfs/dbraw/zinc/05/55/64/514055564.db2.gz QTPFWACXWMBMQV-HNNXBMFYSA-N 1 0 351.410 2.955 20 5 FFBDRO Cn1ccnc1C(=O)c1ccc(NC[C@H]2[NH2+]CCCC2(C)C)c([N+](=O)[O-])c1 ZINC000420250252 514060636 /nfs/dbraw/zinc/06/06/36/514060636.db2.gz ZPEVYNOXDKOKDL-MRXNPFEDSA-N 1 0 371.441 2.749 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(N2CCO[C@H](C)C2)nc1 ZINC000449085043 514064814 /nfs/dbraw/zinc/06/48/14/514064814.db2.gz ZXQDXHAGALBCCA-HZPDHXFCSA-N 1 0 370.453 2.936 20 5 FFBDRO Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CC[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000420290493 514074444 /nfs/dbraw/zinc/07/44/44/514074444.db2.gz JHUODUAMBWLIRB-MAUKXSAKSA-N 1 0 354.410 2.616 20 5 FFBDRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000420291663 514075073 /nfs/dbraw/zinc/07/50/73/514075073.db2.gz XOHBSTJYGDKBCH-IAQYHMDHSA-N 1 0 374.363 2.731 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1nnnn1-c1ccccc1 ZINC000449138592 514089246 /nfs/dbraw/zinc/08/92/46/514089246.db2.gz CMSQOPGCGJKTJN-KBPBESRZSA-N 1 0 352.398 2.852 20 5 FFBDRO Cc1ccc(S(=O)(=O)Nc2ccc(C[NH+](C)C)cc2F)c([N+](=O)[O-])c1 ZINC000414398404 514092717 /nfs/dbraw/zinc/09/27/17/514092717.db2.gz TXCNVJDWTRMQEA-UHFFFAOYSA-N 1 0 367.402 2.905 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000427020189 514092755 /nfs/dbraw/zinc/09/27/55/514092755.db2.gz PCDLTJANNQQOSR-UHFFFAOYSA-N 1 0 361.373 2.734 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCN(c2cccnc2)C1=O ZINC000449238209 514127145 /nfs/dbraw/zinc/12/71/45/514127145.db2.gz FQJUXRREQOIODC-WMLDXEAASA-N 1 0 354.410 2.706 20 5 FFBDRO [NH3+]CC[C@H]1CCCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000423601315 514179551 /nfs/dbraw/zinc/17/95/51/514179551.db2.gz DJTDARBJLGTHIF-LLVKDONJSA-N 1 0 357.863 2.928 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@H](O)[C@@H](CO)C3)o2)c(Cl)c1 ZINC000414561207 514180253 /nfs/dbraw/zinc/18/02/53/514180253.db2.gz SBNZLUUSILYRBG-BZNIZROVSA-N 1 0 366.801 2.683 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@@H](O)[C@H](CO)C3)o2)c(Cl)c1 ZINC000414561209 514180284 /nfs/dbraw/zinc/18/02/84/514180284.db2.gz SBNZLUUSILYRBG-MEDUHNTESA-N 1 0 366.801 2.683 20 5 FFBDRO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000423617361 514185018 /nfs/dbraw/zinc/18/50/18/514185018.db2.gz SYXXQPHQFBMRNE-BZNIZROVSA-N 1 0 353.397 2.691 20 5 FFBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCN(CCCO)C1 ZINC000449399198 514197742 /nfs/dbraw/zinc/19/77/42/514197742.db2.gz YKOWIARNXXZMSR-UHOSZYNNSA-N 1 0 361.486 2.742 20 5 FFBDRO NC(=O)c1cccc([N+](=O)[O-])c1NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000420621028 514204511 /nfs/dbraw/zinc/20/45/11/514204511.db2.gz FNPCXCDWNMPHLI-OAHLLOKOSA-N 1 0 354.410 2.628 20 5 FFBDRO CC1(C)CN(C(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)CC[NH2+]1 ZINC000423714121 514209857 /nfs/dbraw/zinc/20/98/57/514209857.db2.gz WVEWNBZGKSMZDO-UHFFFAOYSA-N 1 0 371.387 2.784 20 5 FFBDRO [NH3+]C[C@H]1CC[C@@H](NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000423734473 514213606 /nfs/dbraw/zinc/21/36/06/514213606.db2.gz CYURQMMPYMWEBC-NWDGAFQWSA-N 1 0 353.397 2.678 20 5 FFBDRO COC[C@]1(C(=O)OC)CC[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000449455038 514216518 /nfs/dbraw/zinc/21/65/18/514216518.db2.gz QDEHKNKMTXWWEV-SFHVURJKSA-N 1 0 350.415 2.730 20 5 FFBDRO C[C@H]1CN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CC[N@@H+](C2CC2)C1 ZINC000452167758 514225581 /nfs/dbraw/zinc/22/55/81/514225581.db2.gz CGVFRKMJDLAOGR-CYBMUJFWSA-N 1 0 363.433 2.954 20 5 FFBDRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000414662835 514229115 /nfs/dbraw/zinc/22/91/15/514229115.db2.gz RKDLXRZPNXTZQN-ROUUACIJSA-N 1 0 370.409 2.871 20 5 FFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]([C@H](CO)C1CC1)C1CC1 ZINC000449503547 514231604 /nfs/dbraw/zinc/23/16/04/514231604.db2.gz IFGRFAQTPDCFMB-LLSQANQASA-N 1 0 361.442 2.699 20 5 FFBDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000427492953 514232708 /nfs/dbraw/zinc/23/27/08/514232708.db2.gz ONHKAOJZXGBMFQ-GFCCVEGCSA-N 1 0 357.838 2.862 20 5 FFBDRO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000417223564 514243483 /nfs/dbraw/zinc/24/34/83/514243483.db2.gz HCRFRSQPEGOWHB-QGZVFWFLSA-N 1 0 360.458 2.557 20 5 FFBDRO CCOc1cc(NC(=O)NC[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])cc1OCC ZINC000414753391 514274300 /nfs/dbraw/zinc/27/43/00/514274300.db2.gz DMQBPYNPUYZAJW-LBPRGKRZSA-N 1 0 366.418 2.513 20 5 FFBDRO CCOc1cc(NC(=O)N[C@H]2CC[NH2+][C@@H](C)C2)c([N+](=O)[O-])cc1OCC ZINC000414762030 514278550 /nfs/dbraw/zinc/27/85/50/514278550.db2.gz VGUOWHBQQSKKQB-RYUDHWBXSA-N 1 0 366.418 2.654 20 5 FFBDRO COc1cc(CNC[C@H]([NH3+])C(C)C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000414800287 514299732 /nfs/dbraw/zinc/29/97/32/514299732.db2.gz SEFVNOAOFUAMMF-NSHDSACASA-N 1 0 365.352 2.617 20 5 FFBDRO C[C@H]1CCCN(c2ccc(C(=O)N[C@H]3CC[NH2+]CC3(C)C)cc2[N+](=O)[O-])C1 ZINC000449692960 514307307 /nfs/dbraw/zinc/30/73/07/514307307.db2.gz CAFHSKNPJHUYKF-KSSFIOAISA-N 1 0 374.485 2.949 20 5 FFBDRO COc1cc(C(=O)N[C@H](CCC[NH3+])c2ccccc2)cc([N+](=O)[O-])c1OC ZINC000423960999 514309813 /nfs/dbraw/zinc/30/98/13/514309813.db2.gz DIXQQHXBYMKKQO-OAHLLOKOSA-N 1 0 373.409 2.822 20 5 FFBDRO [NH3+]CC[C@H](NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)C(F)(F)F ZINC000449719288 514321554 /nfs/dbraw/zinc/32/15/54/514321554.db2.gz LDYNWNUOYIKKQB-NSHDSACASA-N 1 0 374.344 2.728 20 5 FFBDRO COc1ccc([C@H]2CC[NH2+]C[C@@H]2NCc2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000414884967 514340822 /nfs/dbraw/zinc/34/08/22/514340822.db2.gz OTHCGPRAXODBEB-MSOLQXFVSA-N 1 0 371.437 2.847 20 5 FFBDRO [NH3+]C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)CCCO1 ZINC000424028324 514348272 /nfs/dbraw/zinc/34/82/72/514348272.db2.gz WWTRVCAABQIXHN-MRXNPFEDSA-N 1 0 371.393 2.577 20 5 FFBDRO COc1cc(C[N@@H+]2CC[C@@H](CCCO)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000449791132 514352968 /nfs/dbraw/zinc/35/29/68/514352968.db2.gz NSJIURRKMOAUNU-LLVKDONJSA-N 1 0 360.357 2.799 20 5 FFBDRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414948210 514370640 /nfs/dbraw/zinc/37/06/40/514370640.db2.gz LWDYSQKJTMLLEX-GXSJLCMTSA-N 1 0 358.345 2.835 20 5 FFBDRO [NH3+][C@@H]1Cc2ccccc2N(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000424081187 514374438 /nfs/dbraw/zinc/37/44/38/514374438.db2.gz VDPSWMRGOYMSFT-MRXNPFEDSA-N 1 0 366.421 2.725 20 5 FFBDRO COc1ccc(CNC(=O)NCC[N@@H+]2CCCC(C)(C)C2)cc1[N+](=O)[O-] ZINC000444989655 514383680 /nfs/dbraw/zinc/38/36/80/514383680.db2.gz QXEAAKCNDANHRP-UHFFFAOYSA-N 1 0 364.446 2.525 20 5 FFBDRO C[NH+](C)C1(CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CCC1 ZINC000438537581 514398715 /nfs/dbraw/zinc/39/87/15/514398715.db2.gz ZYNHHCLAADRFHF-UHFFFAOYSA-N 1 0 357.863 2.941 20 5 FFBDRO Cn1c(C(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000438550514 514402119 /nfs/dbraw/zinc/40/21/19/514402119.db2.gz CWALLQXHOITAHM-UHFFFAOYSA-N 1 0 356.426 2.670 20 5 FFBDRO C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CC(OC(C)(C)C)C1 ZINC000420997622 514431121 /nfs/dbraw/zinc/43/11/21/514431121.db2.gz ACXPAYQUMHXREH-SLTAFYQDSA-N 1 0 352.431 2.612 20 5 FFBDRO NC(=O)c1cccc(NCc2ccccc2C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000439109279 514495176 /nfs/dbraw/zinc/49/51/76/514495176.db2.gz WBJQMUFQZBPAQY-UHFFFAOYSA-N 1 0 354.410 2.902 20 5 FFBDRO NC(=O)c1cccc(NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)c1[N+](=O)[O-] ZINC000439161712 514502332 /nfs/dbraw/zinc/50/23/32/514502332.db2.gz YALBEKXZZAUSIV-INIZCTEOSA-N 1 0 368.437 2.670 20 5 FFBDRO C[NH+](C)CC[C@H](NC(=O)NCCc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000466023917 514541952 /nfs/dbraw/zinc/54/19/52/514541952.db2.gz BFOXUSIBXLJLCN-INIZCTEOSA-N 1 0 350.463 2.803 20 5 FFBDRO COC(=O)CC1CC[NH+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000497727328 514611288 /nfs/dbraw/zinc/61/12/88/514611288.db2.gz KNRUKPOTKDLCDP-UHFFFAOYSA-N 1 0 363.414 2.507 20 5 FFBDRO CN(C(=O)Cc1cccc([N+](=O)[O-])c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475307867 514612873 /nfs/dbraw/zinc/61/28/73/514612873.db2.gz IGHCWKAVUHFAGQ-IBGZPJMESA-N 1 0 353.422 2.870 20 5 FFBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000458238089 514653645 /nfs/dbraw/zinc/65/36/45/514653645.db2.gz ZNHFQWBUFVVXML-NSHDSACASA-N 1 0 357.357 2.658 20 5 FFBDRO CC[C@@H](C)[NH+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC)CC1 ZINC000453465377 514657052 /nfs/dbraw/zinc/65/70/52/514657052.db2.gz JYUCEXVBRXOPEK-CQSZACIVSA-N 1 0 358.446 2.794 20 5 FFBDRO Cc1nn(CCC(=O)Nc2ccc(C[NH+](C)C)c(C)c2)c(C)c1[N+](=O)[O-] ZINC000458268320 514675036 /nfs/dbraw/zinc/67/50/36/514675036.db2.gz GLLDTNOSVBZUKY-UHFFFAOYSA-N 1 0 359.430 2.807 20 5 FFBDRO C[N@H+](CC1CC1)C[C@H]1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000470957187 514694070 /nfs/dbraw/zinc/69/40/70/514694070.db2.gz FWSWAIOVBZXLOU-OAHLLOKOSA-N 1 0 371.441 2.809 20 5 FFBDRO COc1cc(N2CCC(CC[NH+]3CCOCC3)CC2)c(F)cc1[N+](=O)[O-] ZINC000508224419 514713553 /nfs/dbraw/zinc/71/35/53/514713553.db2.gz SVWQJPJGXGIFAD-UHFFFAOYSA-N 1 0 367.421 2.681 20 5 FFBDRO CCOc1ccccc1CN1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)[C@@H](C)C1 ZINC000508285113 514730976 /nfs/dbraw/zinc/73/09/76/514730976.db2.gz AOBOTKAVAWIOBZ-AWEZNQCLSA-N 1 0 372.425 2.668 20 5 FFBDRO Cc1cc(NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c(F)cc1[N+](=O)[O-] ZINC000461775402 514732036 /nfs/dbraw/zinc/73/20/36/514732036.db2.gz MTKGOCFTFPPJCZ-MRXNPFEDSA-N 1 0 359.401 2.873 20 5 FFBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2(N3CCOCC3)CCCCC2)c(F)c1 ZINC000479921800 514777245 /nfs/dbraw/zinc/77/72/45/514777245.db2.gz IYJOUJKLTUNSHU-UHFFFAOYSA-N 1 0 351.422 2.859 20 5 FFBDRO COCC[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@H]1CC[C@@H](C)C1 ZINC000484855050 514816271 /nfs/dbraw/zinc/81/62/71/514816271.db2.gz GLUZLZDUXSJTQR-ZBFHGGJFSA-N 1 0 361.442 2.621 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)CCOc2ccc(OC)cc2[N+](=O)[O-])C[C@H]1C ZINC000484919892 514844963 /nfs/dbraw/zinc/84/49/63/514844963.db2.gz MFPHFDPDUJCQFH-HUUCEWRRSA-N 1 0 351.447 2.787 20 5 FFBDRO CSC1(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC[NH+](C)CC1 ZINC000484973870 514861705 /nfs/dbraw/zinc/86/17/05/514861705.db2.gz LAIKUAMTAVIZJP-UHFFFAOYSA-N 1 0 371.890 2.734 20 5 FFBDRO C[N@H+](CCC(=O)N1CCOc2ccccc21)Cc1ccccc1[N+](=O)[O-] ZINC000503092631 514916321 /nfs/dbraw/zinc/91/63/21/514916321.db2.gz ALJOWOZZIXNARZ-UHFFFAOYSA-N 1 0 355.394 2.842 20 5 FFBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000462190958 514932367 /nfs/dbraw/zinc/93/23/67/514932367.db2.gz RNCWPDHHSNVFGO-SCLBCKFNSA-N 1 0 357.385 2.984 20 5 FFBDRO Cc1nc(NCCCC[NH+]2CCN(c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000471612516 514955167 /nfs/dbraw/zinc/95/51/67/514955167.db2.gz GQCGNAIVDPVONF-UHFFFAOYSA-N 1 0 369.469 2.734 20 5 FFBDRO CCC[C@@H]1CN(Cc2c(F)cc([N+](=O)[O-])cc2F)CC[N@@H+]1CCOC ZINC000508966578 514968638 /nfs/dbraw/zinc/96/86/38/514968638.db2.gz PBACGYWBXMCIQC-CYBMUJFWSA-N 1 0 357.401 2.806 20 5 FFBDRO CC[N@@H+]1C[C@H](C)N(C(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC000498566550 514972605 /nfs/dbraw/zinc/97/26/05/514972605.db2.gz LIQZVJFBCGBESP-RWMBFGLXSA-N 1 0 369.849 2.957 20 5 FFBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000498567941 514974839 /nfs/dbraw/zinc/97/48/39/514974839.db2.gz XIRNHENQJZLUNZ-LSDHHAIUSA-N 1 0 360.458 2.750 20 5 FFBDRO CC[N@@H+]1CCC[C@@H](CNc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])C1 ZINC000480511651 514982329 /nfs/dbraw/zinc/98/23/29/514982329.db2.gz MILYCYVXEZVTNI-AWEZNQCLSA-N 1 0 371.441 2.703 20 5 FFBDRO O=[N+]([O-])c1ccc(NCC[NH+]2CCSCC2)nc1-c1ccc(F)cc1 ZINC000485394198 515020244 /nfs/dbraw/zinc/02/02/44/515020244.db2.gz GBCQMJUDNOMKGP-UHFFFAOYSA-N 1 0 362.430 2.679 20 5 FFBDRO Cn1nc([N+](=O)[O-])cc1C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000476399500 515034521 /nfs/dbraw/zinc/03/45/21/515034521.db2.gz YEQBVRQVSHARBH-UHFFFAOYSA-N 1 0 371.441 2.634 20 5 FFBDRO C[NH+](C)CC(C)(C)NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000458709431 515035471 /nfs/dbraw/zinc/03/54/71/515035471.db2.gz UAGKMFDYMSUULD-UHFFFAOYSA-N 1 0 362.352 2.753 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[N@H+](C)CC[C@@H]1C ZINC000498711318 515036192 /nfs/dbraw/zinc/03/61/92/515036192.db2.gz SYBGJLSVFUIZMJ-NWDGAFQWSA-N 1 0 355.822 2.568 20 5 FFBDRO Cc1ccc(C)c(S(=O)(=O)N(C)CC[NH+](C(C)C)C(C)C)c1[N+](=O)[O-] ZINC000480712389 515054682 /nfs/dbraw/zinc/05/46/82/515054682.db2.gz SAAMACXFLWWYSO-UHFFFAOYSA-N 1 0 371.503 2.951 20 5 FFBDRO CC[C@H]1C[N@H+](CC)CCN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000456351321 515118298 /nfs/dbraw/zinc/11/82/98/515118298.db2.gz MKZZBBCOUYNYSX-INIZCTEOSA-N 1 0 360.458 2.751 20 5 FFBDRO CCCC[N@H+](CC)Cc1cccc(CNC(=O)c2cc([N+](=O)[O-])nn2C)c1 ZINC000476647541 515140813 /nfs/dbraw/zinc/14/08/13/515140813.db2.gz USEQXZCJFKIDQV-UHFFFAOYSA-N 1 0 373.457 2.880 20 5 FFBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000485704021 515151398 /nfs/dbraw/zinc/15/13/98/515151398.db2.gz JNOGIJHHXOCDTL-CHWSQXEVSA-N 1 0 369.412 2.900 20 5 FFBDRO Cc1ccc(C)c(S(=O)(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000481039720 515183213 /nfs/dbraw/zinc/18/32/13/515183213.db2.gz OBDLGICHQJMMJN-LSDHHAIUSA-N 1 0 369.487 2.753 20 5 FFBDRO COc1ccc(CNC(=O)N(CC[NH+](C)C)C2CCCC2)cc1[N+](=O)[O-] ZINC000468039302 515206007 /nfs/dbraw/zinc/20/60/07/515206007.db2.gz CKEPVIHUUMRSHZ-UHFFFAOYSA-N 1 0 364.446 2.619 20 5 FFBDRO COC(=O)c1cc(C(=O)N(C)CC[NH+](C(C)C)C(C)C)cc([N+](=O)[O-])c1 ZINC000504142107 515230296 /nfs/dbraw/zinc/23/02/96/515230296.db2.gz IIRIWCJUECGDPT-UHFFFAOYSA-N 1 0 365.430 2.572 20 5 FFBDRO Cc1ccncc1C[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000481192918 515241549 /nfs/dbraw/zinc/24/15/49/515241549.db2.gz UBKXZJFALXDXII-UHFFFAOYSA-N 1 0 366.425 2.887 20 5 FFBDRO COc1ccc(OCCN2CC[C@H](C[N@H+](C)CC3CC3)C2)c([N+](=O)[O-])c1 ZINC000472488142 515289000 /nfs/dbraw/zinc/28/90/00/515289000.db2.gz WPIPMWNMYMCHDW-MRXNPFEDSA-N 1 0 363.458 2.646 20 5 FFBDRO COc1ccc(C[NH2+][C@H]2CC(=O)N(c3ccccc3F)C2)cc1[N+](=O)[O-] ZINC000463033727 515341435 /nfs/dbraw/zinc/34/14/35/515341435.db2.gz LPVZZRCRKGLXKS-ZDUSSCGKSA-N 1 0 359.357 2.638 20 5 FFBDRO CO[C@@H](c1ccccc1Cl)[C@@H](C)[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000481513039 515355143 /nfs/dbraw/zinc/35/51/43/515355143.db2.gz CXZNWUXSHLZQDI-SJKOYZFVSA-N 1 0 365.817 2.776 20 5 FFBDRO COc1cc(C[NH2+][C@@H](C)Cn2cccn2)c([N+](=O)[O-])cc1OCC(F)F ZINC000491065520 515368641 /nfs/dbraw/zinc/36/86/41/515368641.db2.gz LAKLMXNOEWOLBY-NSHDSACASA-N 1 0 370.356 2.622 20 5 FFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000509922426 515369651 /nfs/dbraw/zinc/36/96/51/515369651.db2.gz CSSZBWBFTMTDQR-ZDUSSCGKSA-N 1 0 351.472 2.876 20 5 FFBDRO CNC(=O)N[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000468689100 515470779 /nfs/dbraw/zinc/47/07/79/515470779.db2.gz SACJTIWEYNPXEA-LBPRGKRZSA-N 1 0 360.439 2.827 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+](Cc2ccccc2Cl)CC2CC2)c1 ZINC000510224784 515474111 /nfs/dbraw/zinc/47/41/11/515474111.db2.gz VKVCBJBVTVQNTG-MRXNPFEDSA-N 1 0 364.833 2.718 20 5 FFBDRO CC(C)[NH+](CCN(C)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C(C)C ZINC000505396097 515521419 /nfs/dbraw/zinc/52/14/19/515521419.db2.gz NEIIPSAKRXCODS-UHFFFAOYSA-N 1 0 373.457 2.971 20 5 FFBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000486608091 515559842 /nfs/dbraw/zinc/55/98/42/515559842.db2.gz VNKPANWJUVHVIL-LBPRGKRZSA-N 1 0 355.385 2.606 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N(CC[NH+](C)C)C3CC3)cc2[N+](=O)[O-])CC1 ZINC000505641094 515620145 /nfs/dbraw/zinc/62/01/45/515620145.db2.gz YCSMLEMGVQWSLB-UHFFFAOYSA-N 1 0 374.485 2.997 20 5 FFBDRO COC[C@@](C)([NH3+])CNc1ccc(C(=O)Nc2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000510671111 515631878 /nfs/dbraw/zinc/63/18/78/515631878.db2.gz WROQIEFMUHRMPD-IBGZPJMESA-N 1 0 372.425 2.931 20 5 FFBDRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000454644264 515634749 /nfs/dbraw/zinc/63/47/49/515634749.db2.gz OHVKKPSVJDNAMI-CVEARBPZSA-N 1 0 358.442 2.721 20 5 FFBDRO COCCN(Cc1c(C)nn(C)c1C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000459570578 515657520 /nfs/dbraw/zinc/65/75/20/515657520.db2.gz DSLUNBCRWSEUDA-UHFFFAOYSA-N 1 0 362.430 2.602 20 5 FFBDRO COc1cc(C[NH2+][C@H]2CCO[C@@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000493763610 515660417 /nfs/dbraw/zinc/66/04/17/515660417.db2.gz IJUXXWBMPHHFRF-JQWIXIFHSA-N 1 0 360.357 2.904 20 5 FFBDRO Cc1nn(-c2cc[nH+]cc2)cc1CN1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000459616973 515696409 /nfs/dbraw/zinc/69/64/09/515696409.db2.gz AMUZORHOKQQPGM-UHFFFAOYSA-N 1 0 365.393 2.747 20 5 FFBDRO C[N@H+](CCCCNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C1CC1 ZINC000457173370 515703486 /nfs/dbraw/zinc/70/34/86/515703486.db2.gz KTUNSGGGWGNVEK-UHFFFAOYSA-N 1 0 360.458 2.799 20 5 FFBDRO C[C@H]([NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1cncc(F)c1 ZINC000459624470 515704260 /nfs/dbraw/zinc/70/42/60/515704260.db2.gz VFFYSGPQUKKLCB-NSHDSACASA-N 1 0 360.345 2.778 20 5 FFBDRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000487057985 515739085 /nfs/dbraw/zinc/73/90/85/515739085.db2.gz GFAKTIPCOOAUBJ-LBPRGKRZSA-N 1 0 355.385 2.796 20 5 FFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCCc2nn(C)cc21 ZINC000511004253 515742142 /nfs/dbraw/zinc/74/21/42/515742142.db2.gz YXJYLRBUFDCBPD-WBMJQRKESA-N 1 0 357.414 2.713 20 5 FFBDRO CO[C@@H]1COC[C@@H]1[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000459756270 515789401 /nfs/dbraw/zinc/78/94/01/515789401.db2.gz NQWGBIYEFIZZQT-QFBILLFUSA-N 1 0 357.410 2.866 20 5 FFBDRO O=C1[C@@H]([N@@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000459796203 515809760 /nfs/dbraw/zinc/80/97/60/515809760.db2.gz PPESSRZYQBRGQF-GBESFXJTSA-N 1 0 373.453 2.573 20 5 FFBDRO CCN(CCC[NH+](CC)CC)S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000473953280 515817935 /nfs/dbraw/zinc/81/79/35/515817935.db2.gz YTJLZXSOWFLGLE-UHFFFAOYSA-N 1 0 363.505 2.707 20 5 FFBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCN1CCOC[C@H]1C ZINC000506214569 515819180 /nfs/dbraw/zinc/81/91/80/515819180.db2.gz KBPIGACPMQRRPW-CYBMUJFWSA-N 1 0 367.471 2.547 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000457385248 515842852 /nfs/dbraw/zinc/84/28/52/515842852.db2.gz SBPZMMSIFRLHFJ-RDJZCZTQSA-N 1 0 373.384 2.700 20 5 FFBDRO C[C@H](CCCC[NH3+])NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000494651150 515910567 /nfs/dbraw/zinc/91/05/67/515910567.db2.gz ANSIBKFIZPLXKH-SNVBAGLBSA-N 1 0 358.236 2.534 20 5 FFBDRO C[NH+](C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])[nH]1)c1cccc(C(F)(F)F)c1 ZINC000469764495 515956154 /nfs/dbraw/zinc/95/61/54/515956154.db2.gz PQFORHZGJCJRGG-CYBMUJFWSA-N 1 0 370.331 2.974 20 5 FFBDRO C[C@@H](CN1CCN(c2ccccn2)CC1)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000483154189 515957478 /nfs/dbraw/zinc/95/74/78/515957478.db2.gz IEHJSNQYZLDJFN-IRXDYDNUSA-N 1 0 369.469 2.851 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N3CC[C@H]4[NH2+]CC[C@H]4C3)cc2[N+](=O)[O-])C1 ZINC000494881052 515995911 /nfs/dbraw/zinc/99/59/11/515995911.db2.gz UTJODGAALXKHOQ-HYVNUMGLSA-N 1 0 372.469 2.655 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+]CCc2ccccc2C)cc1[N+](=O)[O-] ZINC000474348567 516005107 /nfs/dbraw/zinc/00/51/07/516005107.db2.gz NFPWCKUBBGATSE-UHFFFAOYSA-N 1 0 358.394 2.787 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+][C@H]2CCC[C@@H](SC)C2)cc1[N+](=O)[O-] ZINC000474364875 516013642 /nfs/dbraw/zinc/01/36/42/516013642.db2.gz CIZOLSSHZIBHCQ-UONOGXRCSA-N 1 0 368.455 2.910 20 5 FFBDRO CC[NH+](CC)CCOCCNC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000460128124 516036223 /nfs/dbraw/zinc/03/62/23/516036223.db2.gz OTBNHQSMICPTFA-UHFFFAOYSA-N 1 0 352.435 2.692 20 5 FFBDRO CCc1cc(N[C@H]2CCC[N@@H+](CC)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000506977439 516043198 /nfs/dbraw/zinc/04/31/98/516043198.db2.gz NCJATENJXAVNSA-INIZCTEOSA-N 1 0 355.442 2.932 20 5 FFBDRO COCC[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@H]1CCC[C@H]1C ZINC000487959907 516053116 /nfs/dbraw/zinc/05/31/16/516053116.db2.gz SJHNMFFPFCZGFS-PBHICJAKSA-N 1 0 361.442 2.621 20 5 FFBDRO CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000460203428 516066525 /nfs/dbraw/zinc/06/65/25/516066525.db2.gz IZLRHPQMCCAQAQ-INIZCTEOSA-N 1 0 356.430 2.546 20 5 FFBDRO [NH3+]C[C@H](C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000479135629 516071649 /nfs/dbraw/zinc/07/16/49/516071649.db2.gz WRDAAABZMFUZOR-SFHVURJKSA-N 1 0 359.401 2.915 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000507096257 516088348 /nfs/dbraw/zinc/08/83/48/516088348.db2.gz BWLOHORGJHZSLS-UHFFFAOYSA-N 1 0 356.426 2.704 20 5 FFBDRO C[C@H]1CCCN(c2ccc(C(=O)N(C)CC[N@H+](C)C3CC3)cc2[N+](=O)[O-])C1 ZINC000474564499 516097016 /nfs/dbraw/zinc/09/70/16/516097016.db2.gz TZPSEJBHPHFXPL-HNNXBMFYSA-N 1 0 374.485 2.997 20 5 FFBDRO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@H+](Cc4ccncc4)CC3)nc2c1 ZINC000460348420 516125264 /nfs/dbraw/zinc/12/52/64/516125264.db2.gz FZTPDCPREVTFKX-UHFFFAOYSA-N 1 0 352.398 2.578 20 5 FFBDRO C[C@H](CNC(=O)NCCNc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC[C@@H]1C ZINC000501510802 516131990 /nfs/dbraw/zinc/13/19/90/516131990.db2.gz GENIVHUUFMKSFQ-LSDHHAIUSA-N 1 0 363.462 2.569 20 5 FFBDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000507274875 516152259 /nfs/dbraw/zinc/15/22/59/516152259.db2.gz AAVZCHBKOIYPAH-ZIAGYGMSSA-N 1 0 369.487 2.630 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000512118135 516158973 /nfs/dbraw/zinc/15/89/73/516158973.db2.gz GNSNPHMBQWVICG-NWDGAFQWSA-N 1 0 367.833 2.782 20 5 FFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](SC)[C@@H]([NH+](C)C)C1 ZINC000495580636 516190064 /nfs/dbraw/zinc/19/00/64/516190064.db2.gz LSMUSAXHJWCYRM-ZFWWWQNUSA-N 1 0 369.512 2.824 20 5 FFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](SC)[C@H]([NH+](C)C)C1 ZINC000495580635 516191018 /nfs/dbraw/zinc/19/10/18/516191018.db2.gz LSMUSAXHJWCYRM-UKRRQHHQSA-N 1 0 369.512 2.824 20 5 FFBDRO CC[NH+](CC)CC1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000488363493 516206667 /nfs/dbraw/zinc/20/66/67/516206667.db2.gz ULWHSBXSCWSMDW-UHFFFAOYSA-N 1 0 362.474 2.896 20 5 FFBDRO COc1c(C(=O)Nc2ccc(OCC[NH+](C)C)cc2)cccc1[N+](=O)[O-] ZINC000474968836 516251670 /nfs/dbraw/zinc/25/16/70/516251670.db2.gz IMGBZFXMKKBYIG-UHFFFAOYSA-N 1 0 359.382 2.796 20 5 FFBDRO CCCN(CC[NH+](CC)CC)S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000460910591 516280950 /nfs/dbraw/zinc/28/09/50/516280950.db2.gz IYLJYRMSTZCAJP-UHFFFAOYSA-N 1 0 357.476 2.646 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000488748221 516299655 /nfs/dbraw/zinc/29/96/55/516299655.db2.gz KAQGBVBDNNWCTE-XJKCOSOUSA-N 1 0 361.442 2.856 20 5 FFBDRO COC(=O)c1cc(N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)cc(C)c1[N+](=O)[O-] ZINC000488748786 516300275 /nfs/dbraw/zinc/30/02/75/516300275.db2.gz HORQCXVJBQHLFO-OGHNNQOOSA-N 1 0 361.442 2.856 20 5 FFBDRO CCC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1C[C@@H](OCC)C1(C)C ZINC000535583774 516411280 /nfs/dbraw/zinc/41/12/80/516411280.db2.gz WEBKUOHWMGCBRD-JKSUJKDBSA-N 1 0 351.447 2.672 20 5 FFBDRO C[C@@H](CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000543835795 516450702 /nfs/dbraw/zinc/45/07/02/516450702.db2.gz CAUILZZWWJOCAK-NSHDSACASA-N 1 0 357.357 2.658 20 5 FFBDRO CC(C)[C@@H](C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)[NH+]1CCCCC1 ZINC000517818346 516461678 /nfs/dbraw/zinc/46/16/78/516461678.db2.gz PKVPLQAEJHUGLP-IBGZPJMESA-N 1 0 374.485 2.754 20 5 FFBDRO CCCN(CC[NH+]1CCCCC1)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000513116516 516479841 /nfs/dbraw/zinc/47/98/41/516479841.db2.gz GUSTVGIRFZMSKT-UHFFFAOYSA-N 1 0 374.485 2.682 20 5 FFBDRO CNC(=O)COc1cccc(C[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)c1 ZINC000513117009 516482026 /nfs/dbraw/zinc/48/20/26/516482026.db2.gz OSRHYPAZLJLSAJ-DHDCSXOGSA-N 1 0 369.421 2.913 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000543903476 516490578 /nfs/dbraw/zinc/49/05/78/516490578.db2.gz ICUXCKCXMLMMFN-OKILXGFUSA-N 1 0 365.430 2.683 20 5 FFBDRO COC[C@H]([NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)c1ccccc1 ZINC000540407602 516542173 /nfs/dbraw/zinc/54/21/73/516542173.db2.gz KSIFFXVECSAKMX-INIZCTEOSA-N 1 0 371.393 2.870 20 5 FFBDRO Cc1ccnc(N2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000523755361 516568799 /nfs/dbraw/zinc/56/87/99/516568799.db2.gz TWUFZRYFYHSKHB-UHFFFAOYSA-N 1 0 369.469 2.552 20 5 FFBDRO CCc1cc(NCC2=CC[N@H+](C)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000540494111 516584118 /nfs/dbraw/zinc/58/41/18/516584118.db2.gz UTPWSDDBXAYSCT-UHFFFAOYSA-N 1 0 353.426 2.710 20 5 FFBDRO CCCN(CC[NH+](C)C)C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000531706492 516604139 /nfs/dbraw/zinc/60/41/39/516604139.db2.gz NXPYBTQATTUWEI-UHFFFAOYSA-N 1 0 357.838 2.817 20 5 FFBDRO C[C@@]1(c2ccccc2)CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000544144007 516612027 /nfs/dbraw/zinc/61/20/27/516612027.db2.gz MEFUQULTKIVYCV-YLJYHZDGSA-N 1 0 356.422 2.998 20 5 FFBDRO CCC[NH+](CCC)CCCNS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000524121476 516647667 /nfs/dbraw/zinc/64/76/67/516647667.db2.gz ZORNHMOSPICDRU-UHFFFAOYSA-N 1 0 357.476 2.694 20 5 FFBDRO CC(C)C[C@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])[NH2+][C@@H](C)c1ccccc1 ZINC000554857291 516667058 /nfs/dbraw/zinc/66/70/58/516667058.db2.gz MCKWPKFXNYWKGP-DZGCQCFKSA-N 1 0 359.430 2.813 20 5 FFBDRO CCc1ccc([C@H](NC[C@@H]2C[N@H+](C)CCN2C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000544360842 516721742 /nfs/dbraw/zinc/72/17/42/516721742.db2.gz SDLPLYGWONDUJW-YLJYHZDGSA-N 1 0 372.469 2.675 20 5 FFBDRO Cc1c(Br)c(N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)ncc1[N+](=O)[O-] ZINC000544393284 516739819 /nfs/dbraw/zinc/73/98/19/516739819.db2.gz FNFIUCLANFGYRZ-KOLCDFICSA-N 1 0 357.252 2.837 20 5 FFBDRO Cc1c(Br)c(N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000544392829 516739184 /nfs/dbraw/zinc/73/91/84/516739184.db2.gz BFBMFHMWOUIOFE-MWLCHTKSSA-N 1 0 357.252 2.980 20 5 FFBDRO CC[C@@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1c(C)nn(C)c1C ZINC000544418238 516751149 /nfs/dbraw/zinc/75/11/49/516751149.db2.gz BJHZRRMJKUQDMG-MRXNPFEDSA-N 1 0 359.430 2.649 20 5 FFBDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000518786364 516773869 /nfs/dbraw/zinc/77/38/69/516773869.db2.gz YTYDEGSSGRPEOG-CYBMUJFWSA-N 1 0 363.414 2.708 20 5 FFBDRO C[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1Oc2ccccc2[C@H]1C ZINC000544511596 516790464 /nfs/dbraw/zinc/79/04/64/516790464.db2.gz ASDVIFMIYRPGJV-SOZUMNATSA-N 1 0 355.394 2.737 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000518833756 516792360 /nfs/dbraw/zinc/79/23/60/516792360.db2.gz RCRMYMIPRFFEBW-YUTCNCBUSA-N 1 0 367.833 2.759 20 5 FFBDRO C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])cn2C)CC[N@@H+]1Cc1ccccc1 ZINC000524708485 516796128 /nfs/dbraw/zinc/79/61/28/516796128.db2.gz KQUWLAKUHANKEI-HNNXBMFYSA-N 1 0 356.426 2.670 20 5 FFBDRO Cc1ccccc1C[C@@H](C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000544573921 516819614 /nfs/dbraw/zinc/81/96/14/516819614.db2.gz BPUAXSYSTWUMTH-OAHLLOKOSA-N 1 0 362.451 2.898 20 5 FFBDRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000551792761 516872372 /nfs/dbraw/zinc/87/23/72/516872372.db2.gz AMIRGVYRKGUBTE-GOSISDBHSA-N 1 0 357.410 2.945 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCc1nnnn1-c1ccccc1 ZINC000558698237 516895280 /nfs/dbraw/zinc/89/52/80/516895280.db2.gz ZUFBNOLQYWZQMO-CQSZACIVSA-N 1 0 352.398 2.772 20 5 FFBDRO COCCOc1ccc(CNc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)cn1 ZINC000541172182 516911376 /nfs/dbraw/zinc/91/13/76/516911376.db2.gz GILPHVXTDCBWFQ-UHFFFAOYSA-N 1 0 368.393 2.906 20 5 FFBDRO CC(C)[N@@H+]1CCCC[C@@H]1Cn1cc(Br)c(=O)c([N+](=O)[O-])c1 ZINC000555469442 516937366 /nfs/dbraw/zinc/93/73/66/516937366.db2.gz MVSSOTSPSALCGR-LLVKDONJSA-N 1 0 358.236 2.782 20 5 FFBDRO CCOc1ccc(C(=O)NCC2(SC)CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000562182410 516948403 /nfs/dbraw/zinc/94/84/03/516948403.db2.gz TYHFYODYKLZGNT-UHFFFAOYSA-N 1 0 367.471 2.551 20 5 FFBDRO Cc1ccc(OCC[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000551974736 517000724 /nfs/dbraw/zinc/00/07/24/517000724.db2.gz AVCRSQORXJJYBH-KRWDZBQOSA-N 1 0 360.410 2.620 20 5 FFBDRO Cc1c(NC(=O)[C@H](C)N2CC[C@]3(C2)CCC[N@H+](C)C3)cccc1[N+](=O)[O-] ZINC000555598145 517004777 /nfs/dbraw/zinc/00/47/77/517004777.db2.gz PBWDGTYUBDKFDD-HNAYVOBHSA-N 1 0 360.458 2.648 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C(C2CCC2)C2CCC2)cc1 ZINC000558973324 517024571 /nfs/dbraw/zinc/02/45/71/517024571.db2.gz WOKAMRRJMRDZDF-UHFFFAOYSA-N 1 0 352.456 2.927 20 5 FFBDRO CC(C)[N@H+](C)CC1CCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000532540900 517025835 /nfs/dbraw/zinc/02/58/35/517025835.db2.gz QNAQJGOIOBHCHD-IBGZPJMESA-N 1 0 374.485 2.752 20 5 FFBDRO COC(=O)c1cnc(N[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)c([N+](=O)[O-])c1 ZINC000514752253 517038258 /nfs/dbraw/zinc/03/82/58/517038258.db2.gz QGEJOVSOYGFIOQ-BBRMVZONSA-N 1 0 370.409 2.851 20 5 FFBDRO COc1cc(CN2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000555665865 517055386 /nfs/dbraw/zinc/05/53/86/517055386.db2.gz COOICTMBKXLTII-TXEJJXNPSA-N 1 0 373.400 2.772 20 5 FFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](c1nccn1C)C1CC1 ZINC000552322495 517197270 /nfs/dbraw/zinc/19/72/70/517197270.db2.gz PGKYTJRNSYJGBR-SJKOYZFVSA-N 1 0 357.414 2.786 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+]C1(c2ccc(F)cc2)CC1 ZINC000533068084 517276086 /nfs/dbraw/zinc/27/60/86/517276086.db2.gz GNYWFFDNEXVSND-UHFFFAOYSA-N 1 0 359.357 2.960 20 5 FFBDRO C[C@@H]1C[C@H](CCNC(=O)c2cc([N+](=O)[O-])cn2C)C[N@@H+]1Cc1ccccc1 ZINC000533114547 517303095 /nfs/dbraw/zinc/30/30/95/517303095.db2.gz YBEQVECVFSDZRX-WBVHZDCISA-N 1 0 370.453 2.964 20 5 FFBDRO CN(C)[C@H](C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1cccc(F)c1 ZINC000562741076 517359574 /nfs/dbraw/zinc/35/95/74/517359574.db2.gz QKJFBLKQISZTKB-GOSISDBHSA-N 1 0 374.416 2.955 20 5 FFBDRO C[C@H](C(=O)NCCc1ccccc1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000549173785 517438282 /nfs/dbraw/zinc/43/82/82/517438282.db2.gz VBYBNYPQEHZOEQ-MRXNPFEDSA-N 1 0 355.438 2.817 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC000552961448 517455494 /nfs/dbraw/zinc/45/54/94/517455494.db2.gz CWTDJHOTTDVMHW-BETUJISGSA-N 1 0 350.419 2.556 20 5 FFBDRO CCN(C(=O)c1c[nH]nc1[N+](=O)[O-])[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000549217824 517462601 /nfs/dbraw/zinc/46/26/01/517462601.db2.gz AAYSCILHEKFKBO-UKRRQHHQSA-N 1 0 357.414 2.616 20 5 FFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cnc2n1CCCC2 ZINC000556610197 517517811 /nfs/dbraw/zinc/51/78/11/517517811.db2.gz REFSWWTZCUBHNW-ZDUSSCGKSA-N 1 0 357.414 2.635 20 5 FFBDRO COc1ccc(C[C@@](C)([NH3+])CNc2nc3sccn3c2[N+](=O)[O-])cc1 ZINC000533631539 517551184 /nfs/dbraw/zinc/55/11/84/517551184.db2.gz OTWICKKAFNGOLP-MRXNPFEDSA-N 1 0 361.427 2.685 20 5 FFBDRO CC[C@H]1CN(c2cccc(C(N)=O)c2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000553161374 517552069 /nfs/dbraw/zinc/55/20/69/517552069.db2.gz MZVSQYPVUIUSQQ-INIZCTEOSA-N 1 0 368.437 2.795 20 5 FFBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000553210998 517578019 /nfs/dbraw/zinc/57/80/19/517578019.db2.gz ZXPBVQOUZNYKQY-SFHVURJKSA-N 1 0 353.422 2.776 20 5 FFBDRO CN(C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1C[NH+]2CCC1CC2 ZINC000521155014 517630844 /nfs/dbraw/zinc/63/08/44/517630844.db2.gz OETDJNCRNSUVBU-INIZCTEOSA-N 1 0 372.450 2.885 20 5 FFBDRO O=C1NCCc2ccc(C[NH2+][C@@H](Cc3ccccc3[N+](=O)[O-])C3CC3)cc21 ZINC000542665580 517677492 /nfs/dbraw/zinc/67/74/92/517677492.db2.gz GXMLWBNHMLDNSI-IBGZPJMESA-N 1 0 365.433 2.992 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H](Cc1ccccc1Cl)C(N)=O ZINC000542693690 517690330 /nfs/dbraw/zinc/69/03/30/517690330.db2.gz RJPQOOPXWBPRJP-OAHLLOKOSA-N 1 0 361.829 2.990 20 5 FFBDRO CC(C)(C)NC(=O)C[NH+]1CCC(CNc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000553445180 517716713 /nfs/dbraw/zinc/71/67/13/517716713.db2.gz IHWMTGNKGKVWCI-UHFFFAOYSA-N 1 0 366.437 2.773 20 5 FFBDRO CCCN(CC[NH+]1CCCC1)C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000516557624 517740250 /nfs/dbraw/zinc/74/02/50/517740250.db2.gz XCMUOPCJJSCQCA-UHFFFAOYSA-N 1 0 371.441 2.729 20 5 FFBDRO C[NH+](C)CCN(CC1CCCCC1)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000521476311 517746610 /nfs/dbraw/zinc/74/66/10/517746610.db2.gz VPKGSAKNMTUWPP-UHFFFAOYSA-N 1 0 363.458 2.944 20 5 FFBDRO CC[N@H+](CCC1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1)CC(C)C ZINC000556951725 517770322 /nfs/dbraw/zinc/77/03/22/517770322.db2.gz QBFQLYHWYCHQEF-UHFFFAOYSA-N 1 0 351.451 2.538 20 5 FFBDRO COc1cc(CN2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000549974705 517811465 /nfs/dbraw/zinc/81/14/65/517811465.db2.gz NLFOAMIAKQGOCF-PHIMTYICSA-N 1 0 359.373 2.729 20 5 FFBDRO Cc1cc(N[C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000538930091 517849537 /nfs/dbraw/zinc/84/95/37/517849537.db2.gz ZTWVANBIIMMXSK-SFHVURJKSA-N 1 0 370.453 2.604 20 5 FFBDRO COc1c(C)cc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1C ZINC000534336845 517857870 /nfs/dbraw/zinc/85/78/70/517857870.db2.gz MAAILUVYBSWTFN-UHFFFAOYSA-N 1 0 356.426 2.937 20 5 FFBDRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000560533524 517878015 /nfs/dbraw/zinc/87/80/15/517878015.db2.gz MZKZTMZYSHPINP-DZGCQCFKSA-N 1 0 365.455 2.564 20 5 FFBDRO Cc1cc(NCCC2CCS(=O)(=O)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000543047098 517881988 /nfs/dbraw/zinc/88/19/88/517881988.db2.gz PKKHINPWBHYOPB-UHFFFAOYSA-N 1 0 363.439 2.500 20 5 FFBDRO C[C@@H](CN[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F)C[NH+]1CCN(C)CC1 ZINC000516871614 517885155 /nfs/dbraw/zinc/88/51/55/517885155.db2.gz CUACZVABVNMZMT-BBRMVZONSA-N 1 0 374.407 2.671 20 5 FFBDRO COc1cc(C(=O)N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)cc([N+](=O)[O-])c1C ZINC000553768744 517892852 /nfs/dbraw/zinc/89/28/52/517892852.db2.gz SZTYJEMKCCNRTC-HEHGZKQESA-N 1 0 361.442 2.714 20 5 FFBDRO CCCc1n[nH]c(C(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000521907555 517894892 /nfs/dbraw/zinc/89/48/92/517894892.db2.gz DBPVOHUHACGKJQ-CHWSQXEVSA-N 1 0 365.478 2.757 20 5 FFBDRO C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCS1(=O)=O ZINC000560563772 517897250 /nfs/dbraw/zinc/89/72/50/517897250.db2.gz GDTUXCVCSQVFIK-NHYWBVRUSA-N 1 0 350.396 2.520 20 5 FFBDRO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000530712742 517935728 /nfs/dbraw/zinc/93/57/28/517935728.db2.gz LZURAQBBVDCBSL-GJZGRUSLSA-N 1 0 369.487 2.774 20 5 FFBDRO C[NH+](C)[C@H](CC(=O)NCCOc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000563520588 517958326 /nfs/dbraw/zinc/95/83/26/517958326.db2.gz PQEOIIXDCIQVHM-GOSISDBHSA-N 1 0 357.410 2.783 20 5 FFBDRO CCOc1cc(C(=O)N2[C@H](C)C[N@@H+](CC)C[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000516994180 517965514 /nfs/dbraw/zinc/96/55/14/517965514.db2.gz NNJWTYFMXVBIAA-BETUJISGSA-N 1 0 365.430 2.557 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000557346032 517969980 /nfs/dbraw/zinc/96/99/80/517969980.db2.gz DQVLGKMOSOCMFY-GJZGRUSLSA-N 1 0 367.471 2.507 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H](CCCO)c1ccccc1 ZINC000539296065 517982398 /nfs/dbraw/zinc/98/23/98/517982398.db2.gz XDHDTKKVZGTXHS-INIZCTEOSA-N 1 0 357.410 2.945 20 5 FFBDRO CS[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC(C)C)C[C@H]1[NH+](C)C ZINC000534951805 518095566 /nfs/dbraw/zinc/09/55/66/518095566.db2.gz MPTAHRLKGTYITP-NVXWUHKLSA-N 1 0 353.488 2.859 20 5 FFBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000563794615 518126685 /nfs/dbraw/zinc/12/66/85/518126685.db2.gz WAVFVITXKQVYDS-HNNXBMFYSA-N 1 0 350.463 2.899 20 5 FFBDRO C[NH+](C)[C@@H]1CCc2cc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc21 ZINC000566915321 518263692 /nfs/dbraw/zinc/26/36/92/518263692.db2.gz IPKZONTZNBWEMU-QGZVFWFLSA-N 1 0 361.423 2.945 20 5 FFBDRO C[C@@H]1C[C@H](N(C)C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)CC[N@@H+]1C ZINC000578569179 518269269 /nfs/dbraw/zinc/26/92/69/518269269.db2.gz MJMZNQQUDIBHSM-UKRRQHHQSA-N 1 0 373.457 2.743 20 5 FFBDRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000584345622 518292396 /nfs/dbraw/zinc/29/23/96/518292396.db2.gz HKWXMADDSZHPBN-JOYOIKCWSA-N 1 0 356.220 2.605 20 5 FFBDRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000584345623 518293199 /nfs/dbraw/zinc/29/31/99/518293199.db2.gz HKWXMADDSZHPBN-SKDRFNHKSA-N 1 0 356.220 2.605 20 5 FFBDRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000584345621 518293291 /nfs/dbraw/zinc/29/32/91/518293291.db2.gz HKWXMADDSZHPBN-CABZTGNLSA-N 1 0 356.220 2.605 20 5 FFBDRO C[C@@H](C(=O)NC1CC[NH+](Cc2cccnc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000581525668 518328428 /nfs/dbraw/zinc/32/84/28/518328428.db2.gz ALLHNRWETWRTPB-OAHLLOKOSA-N 1 0 368.437 2.874 20 5 FFBDRO CC(C)(CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)[NH+]1CCCCC1 ZINC000569878099 518335048 /nfs/dbraw/zinc/33/50/48/518335048.db2.gz DLPXBPMVPPTFGG-UHFFFAOYSA-N 1 0 355.385 2.796 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2CC[C@H]3CCC[C@H]3C2)cc1 ZINC000572870142 518400726 /nfs/dbraw/zinc/40/07/26/518400726.db2.gz DDBDRCMXQDIIGS-QLFBSQMISA-N 1 0 352.456 2.927 20 5 FFBDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)c1cc(F)cc2c1[nH]c1ccc(F)cc1c2=O ZINC000572999697 518459303 /nfs/dbraw/zinc/45/93/03/518459303.db2.gz SPOLEDZXGWJBHH-MNOVXSKESA-N 1 0 371.387 2.769 20 5 FFBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000584774981 518471055 /nfs/dbraw/zinc/47/10/55/518471055.db2.gz XVUCVPTWSJUJMC-SJLPKXTDSA-N 1 0 370.453 2.746 20 5 FFBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000567361844 518485724 /nfs/dbraw/zinc/48/57/24/518485724.db2.gz QXRPBLRMUJNZFL-LJQANCHMSA-N 1 0 360.458 2.703 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]Cc1ccnc(C(F)(F)F)c1 ZINC000570202526 518492819 /nfs/dbraw/zinc/49/28/19/518492819.db2.gz MRUBAQFTSSWGPL-LBPRGKRZSA-N 1 0 371.315 2.538 20 5 FFBDRO COc1cccc([N+](=O)[O-])c1NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000564587239 518514581 /nfs/dbraw/zinc/51/45/81/518514581.db2.gz XXTMKHSIQTYEBR-MRXNPFEDSA-N 1 0 357.410 2.782 20 5 FFBDRO CC(C)c1nc(CC[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cs1 ZINC000576339471 518544516 /nfs/dbraw/zinc/54/45/16/518544516.db2.gz QJBNXEAZIKQMQQ-OAHLLOKOSA-N 1 0 365.455 2.747 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2nnc(N3CC[N@@H+]4CCCC[C@@H]4C3)n2C2CC2)cc1 ZINC000576354135 518553092 /nfs/dbraw/zinc/55/30/92/518553092.db2.gz OLLQJLFQBCSPCD-QGZVFWFLSA-N 1 0 368.441 2.863 20 5 FFBDRO COc1cccc([C@H]2C[C@H]([NH2+]C[C@H](O)COc3cccc([N+](=O)[O-])c3)C2)c1 ZINC000564860528 518659026 /nfs/dbraw/zinc/65/90/26/518659026.db2.gz PWICGJQHPXGWLR-BQFCYCMXSA-N 1 0 372.421 2.879 20 5 FFBDRO CS[C@@H](C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000579465742 518695549 /nfs/dbraw/zinc/69/55/49/518695549.db2.gz GMYDMSDQHDIOMU-AWEZNQCLSA-N 1 0 360.501 2.736 20 5 FFBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000564929249 518700666 /nfs/dbraw/zinc/70/06/66/518700666.db2.gz BPZRBYUGHXWXMF-LJQANCHMSA-N 1 0 353.422 2.921 20 5 FFBDRO CCc1ccc(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](CC)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000567771053 518702316 /nfs/dbraw/zinc/70/23/16/518702316.db2.gz OCRJMEHEABPQPG-UKRRQHHQSA-N 1 0 369.487 2.651 20 5 FFBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000570736245 518754351 /nfs/dbraw/zinc/75/43/51/518754351.db2.gz LFCIQQSHVPZGKJ-AWEZNQCLSA-N 1 0 359.430 2.631 20 5 FFBDRO CC[NH+]1C[C@@H](C)N(C(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000570848613 518810839 /nfs/dbraw/zinc/81/08/39/518810839.db2.gz DZRPFJZHCGUQAR-VXGBXAGGSA-N 1 0 367.471 2.880 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCC[N@H+](CC3CCC3)CC2)c1 ZINC000570886858 518824992 /nfs/dbraw/zinc/82/49/92/518824992.db2.gz MTDIYGSDRKTDSF-UHFFFAOYSA-N 1 0 361.442 2.942 20 5 FFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@H](O)COc1ccc(F)c(F)c1 ZINC000565219527 518849155 /nfs/dbraw/zinc/84/91/55/518849155.db2.gz YEEDBQMZKFESBH-APPDUMDISA-N 1 0 364.348 2.890 20 5 FFBDRO COc1cc(C[NH2+][C@H]2CO[C@H](C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000579836805 518879601 /nfs/dbraw/zinc/87/96/01/518879601.db2.gz VNGRNUMOYPNTMO-MWLCHTKSSA-N 1 0 364.320 2.812 20 5 FFBDRO C[C@@H](C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000577042849 518887547 /nfs/dbraw/zinc/88/75/47/518887547.db2.gz CFGMNKFZYJHLBF-DNVCBOLYSA-N 1 0 355.438 2.987 20 5 FFBDRO CCc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])n[nH]2)[NH+](CC)CC)cc1 ZINC000571066018 518910940 /nfs/dbraw/zinc/91/09/40/518910940.db2.gz AUFPQSXMXUJYIN-MRXNPFEDSA-N 1 0 359.430 2.693 20 5 FFBDRO CCN(CCC[NH+](CC)CC)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000589197055 518947982 /nfs/dbraw/zinc/94/79/82/518947982.db2.gz ALTHAAOVBOMLQX-UHFFFAOYSA-N 1 0 351.447 2.920 20 5 FFBDRO COc1cc(C[N@@H+]2CCC[C@@H](CO)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000582859141 518957562 /nfs/dbraw/zinc/95/75/62/518957562.db2.gz SRMPIDWTWDLWAQ-GFCCVEGCSA-N 1 0 374.384 2.842 20 5 FFBDRO C[C@H](CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)[N@@H+]1CCCC[C@H]1C ZINC000565502248 518988220 /nfs/dbraw/zinc/98/82/20/518988220.db2.gz ABTQXLHMEPZTKM-VXGBXAGGSA-N 1 0 355.385 2.795 20 5 FFBDRO CCCC[C@@H](C(=O)Nc1cc(C)on1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000565544984 519010720 /nfs/dbraw/zinc/01/07/20/519010720.db2.gz PTNKTZWULQBNLU-KRWDZBQOSA-N 1 0 374.441 2.985 20 5 FFBDRO CC(C)Oc1nc(NCc2ccccc2OCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000565666200 519072134 /nfs/dbraw/zinc/07/21/34/519072134.db2.gz KYFMCJHRHXYYCV-UHFFFAOYSA-N 1 0 374.441 2.751 20 5 FFBDRO NC(=O)c1cccc(NC[C@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000574304255 519090007 /nfs/dbraw/zinc/09/00/07/519090007.db2.gz XHUZDTRFTCEYDG-OAHLLOKOSA-N 1 0 354.410 2.628 20 5 FFBDRO CCOc1ccc(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1F ZINC000577500304 519112073 /nfs/dbraw/zinc/11/20/73/519112073.db2.gz BOOMQODHLZUEBM-OAHLLOKOSA-N 1 0 364.373 2.662 20 5 FFBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c1 ZINC000590158586 519164103 /nfs/dbraw/zinc/16/41/03/519164103.db2.gz SUXHAQBKHKSYMI-HOTGVXAUSA-N 1 0 373.375 2.645 20 5 FFBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@@H](C)C1 ZINC000574473714 519172030 /nfs/dbraw/zinc/17/20/30/519172030.db2.gz FZTPMPAMXGDTQG-JCGVRSQUSA-N 1 0 356.426 2.878 20 5 FFBDRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000590229343 519178287 /nfs/dbraw/zinc/17/82/87/519178287.db2.gz GQSKORACIYRODI-NSHDSACASA-N 1 0 357.332 2.828 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2ccc(C3CCCCC3)cc2)c1 ZINC000565888457 519183244 /nfs/dbraw/zinc/18/32/44/519183244.db2.gz MGRFGKJNRCLFEK-LJQANCHMSA-N 1 0 358.442 2.990 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@@](CO)(C(C)C)C2)c1 ZINC000590377235 519209594 /nfs/dbraw/zinc/20/95/94/519209594.db2.gz AABSMYKNMSUTCD-GOSISDBHSA-N 1 0 350.415 2.612 20 5 FFBDRO COc1cccc(C[C@H](C)[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000577722655 519221946 /nfs/dbraw/zinc/22/19/46/519221946.db2.gz VYZUVPUAXWFMFU-GOEBONIOSA-N 1 0 360.410 2.564 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N3CC[C@H]4C[N@H+](C)C[C@@H]43)cc2[N+](=O)[O-])C1 ZINC000590447594 519235187 /nfs/dbraw/zinc/23/51/87/519235187.db2.gz ZLQTZWLYMKXIPQ-ALKREAHSSA-N 1 0 372.469 2.607 20 5 FFBDRO C[NH+](C)C[C@H](NC(=O)CCNc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000566030160 519253822 /nfs/dbraw/zinc/25/38/22/519253822.db2.gz INBZNJQMLIWWCP-KRWDZBQOSA-N 1 0 374.416 2.955 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)c1 ZINC000590656888 519303640 /nfs/dbraw/zinc/30/36/40/519303640.db2.gz FSEXDIZUDBNOHP-KBAYOESNSA-N 1 0 362.426 2.897 20 5 FFBDRO Cc1cc(N2CC[C@]3(C2)CCC[NH2+]C3)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000583555344 519309227 /nfs/dbraw/zinc/30/92/27/519309227.db2.gz XDZLLNIUBOLRHN-LJQANCHMSA-N 1 0 353.426 2.940 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@@H]1[C@@H]2Cc3ccccc3[C@H]12 ZINC000566114264 519310009 /nfs/dbraw/zinc/31/00/09/519310009.db2.gz DVVNLLZOIZSPRH-ASKNOMKYSA-N 1 0 354.406 2.510 20 5 FFBDRO COC1CCC(CC[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000566130668 519321263 /nfs/dbraw/zinc/32/12/63/519321263.db2.gz OIPXHOPFAOWSOP-PCKAHOCUSA-N 1 0 352.431 2.519 20 5 FFBDRO O=[N+]([O-])c1ccc(OCC[NH2+]C[C@@H](O)COc2ccc(Cl)cc2)cc1 ZINC000574869100 519374898 /nfs/dbraw/zinc/37/48/98/519374898.db2.gz NJOCLKVDNOGYJB-OAHLLOKOSA-N 1 0 366.801 2.657 20 5 FFBDRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000566240055 519387492 /nfs/dbraw/zinc/38/74/92/519387492.db2.gz GOAMIPPPRNIHII-HOCLYGCPSA-N 1 0 360.458 2.540 20 5 FFBDRO C[NH+](C)[C@@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)C1 ZINC000583822985 519452523 /nfs/dbraw/zinc/45/25/23/519452523.db2.gz FNLWYZQIBXFLMU-ZIAGYGMSSA-N 1 0 366.437 2.855 20 5 FFBDRO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CC[C@@H](O)[C@H](C3CCCC3)C1)OCCO2 ZINC000590971999 519464408 /nfs/dbraw/zinc/46/44/08/519464408.db2.gz WTZBCUUGQUTPRL-DOTOQJQBSA-N 1 0 362.426 2.739 20 5 FFBDRO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)Nc1c[nH+]ccc1-n1ccnc1 ZINC000581004079 519472693 /nfs/dbraw/zinc/47/26/93/519472693.db2.gz YJSUWEGOQIOETE-UHFFFAOYSA-N 1 0 359.292 2.635 20 5 FFBDRO CNc1ccc([N+](=O)[O-])cc1NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000578205561 519472894 /nfs/dbraw/zinc/47/28/94/519472894.db2.gz TULYIIAKMXSQIG-AWEZNQCLSA-N 1 0 364.471 2.793 20 5 FFBDRO CCS[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000575116899 519509863 /nfs/dbraw/zinc/50/98/63/519509863.db2.gz RRUHBEXFMPYNSL-UKPHBRMFSA-N 1 0 354.472 2.988 20 5 FFBDRO Cc1c(NC(=O)N[C@@H]2CCC[NH2+]CC2)cc(Br)cc1[N+](=O)[O-] ZINC000591304506 519581428 /nfs/dbraw/zinc/58/14/28/519581428.db2.gz HSZAHRNXZJHXFG-LLVKDONJSA-N 1 0 371.235 2.929 20 5 FFBDRO Cc1ccccc1O[C@H](C)C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000572393396 519593120 /nfs/dbraw/zinc/59/31/20/519593120.db2.gz IHGIGFIKDDGNHM-CVEARBPZSA-N 1 0 360.410 2.700 20 5 FFBDRO O=C1[C@H](N2CC3(CCC3)[C@H]2[C@@H]2CCCO2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000572411956 519600725 /nfs/dbraw/zinc/60/07/25/519600725.db2.gz MLBCRDWZXNJEHT-FGTMMUONSA-N 1 0 371.437 2.734 20 5 FFBDRO CC[C@H]1CN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000591356426 519607543 /nfs/dbraw/zinc/60/75/43/519607543.db2.gz XZPFCLBYQIXPJR-FZMZJTMJSA-N 1 0 354.838 2.560 20 5 FFBDRO O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000591439053 519625277 /nfs/dbraw/zinc/62/52/77/519625277.db2.gz RLPXVQBDWLJGRY-RKDXNWHRSA-N 1 0 366.290 2.832 20 5 FFBDRO COC(=O)c1cnc(N2CCC[C@H]([NH+]3[C@@H](C)CC[C@@H]3C)C2)c([N+](=O)[O-])c1 ZINC000616176881 519932637 /nfs/dbraw/zinc/93/26/37/519932637.db2.gz MVIRGVRMXSMVPF-YDHLFZDLSA-N 1 0 362.430 2.618 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@H](c2ccc3cccnc3n2)C1 ZINC000602881312 519946946 /nfs/dbraw/zinc/94/69/46/519946946.db2.gz GKALNNQSFROIFG-OAHLLOKOSA-N 1 0 352.398 2.532 20 5 FFBDRO Cc1c(Br)c(N[C@@H]2CC[N@H+](CC3CC3)C2)ncc1[N+](=O)[O-] ZINC000612444226 519961364 /nfs/dbraw/zinc/96/13/64/519961364.db2.gz KXMOQVQEKGRADQ-LLVKDONJSA-N 1 0 355.236 2.957 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000594482972 519992176 /nfs/dbraw/zinc/99/21/76/519992176.db2.gz GSLZUZDGZIDMNJ-CABCVRRESA-N 1 0 367.471 2.507 20 5 FFBDRO C[C@H]1CCCN(c2ccc(C(=O)NC[C@@H]3CCCC[NH2+]3)cc2[N+](=O)[O-])C1 ZINC000591677935 519994390 /nfs/dbraw/zinc/99/43/90/519994390.db2.gz ZJUZGAFWIMBLBJ-HOCLYGCPSA-N 1 0 360.458 2.703 20 5 FFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCc2c(nnn2C)C1 ZINC000594519826 520012138 /nfs/dbraw/zinc/01/21/38/520012138.db2.gz GIWWIRXYWQVCCM-STQMWFEESA-N 1 0 361.471 2.741 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H]2COc3c2cccc3Cl)c1 ZINC000591753812 520022095 /nfs/dbraw/zinc/02/20/95/520022095.db2.gz LLASVOUFTDWSPO-WBMJQRKESA-N 1 0 364.785 2.711 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCc2cccc(-c3ccccc3)c2)c1 ZINC000591754325 520022391 /nfs/dbraw/zinc/02/23/91/520022391.db2.gz KFOMVZFZENJXFY-FQEVSTJZSA-N 1 0 366.421 2.652 20 5 FFBDRO C[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@H](c1ccccc1)N(C)C ZINC000591761299 520026495 /nfs/dbraw/zinc/02/64/95/520026495.db2.gz HKZCLWLZRVQZQO-ZAAXVRCTSA-N 1 0 373.453 2.616 20 5 FFBDRO Cc1c(C[NH2+]C[C@H](O)COc2cccc3[nH]ccc32)cccc1[N+](=O)[O-] ZINC000591763518 520027872 /nfs/dbraw/zinc/02/78/72/520027872.db2.gz QLOYRLSFLHCVJM-HNNXBMFYSA-N 1 0 355.394 2.914 20 5 FFBDRO CC(C)[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cn2)CC[N@@H+]1Cc1ccccc1 ZINC000600252558 520159467 /nfs/dbraw/zinc/15/94/67/520159467.db2.gz JSYLLJUVZJSINE-LJQANCHMSA-N 1 0 368.437 2.972 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000597667141 520166277 /nfs/dbraw/zinc/16/62/77/520166277.db2.gz MPDMCKJMQHPOSE-UHFFFAOYSA-N 1 0 358.398 2.799 20 5 FFBDRO COc1cc(Cn2cc(C[NH2+]C3CCCCC3)nn2)c([N+](=O)[O-])cc1F ZINC000603236489 520172687 /nfs/dbraw/zinc/17/26/87/520172687.db2.gz ITHDIMWEJIDXMK-UHFFFAOYSA-N 1 0 363.393 2.805 20 5 FFBDRO Cn1c(C(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000609018354 520178259 /nfs/dbraw/zinc/17/82/59/520178259.db2.gz VHJWZDDDEUJUNA-MRXNPFEDSA-N 1 0 356.426 2.890 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@H]([NH+](C)C)[C@@H]1C ZINC000597696060 520179985 /nfs/dbraw/zinc/17/99/85/520179985.db2.gz BCSCZHYBDMHTFN-GVXVVHGQSA-N 1 0 355.822 2.567 20 5 FFBDRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000597699201 520183850 /nfs/dbraw/zinc/18/38/50/520183850.db2.gz IPBRUOFOVCQKIK-WCQYABFASA-N 1 0 355.822 2.568 20 5 FFBDRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)C2 ZINC000597711499 520191751 /nfs/dbraw/zinc/19/17/51/520191751.db2.gz TZBKDTPYZKXWBR-LJQANCHMSA-N 1 0 359.426 2.502 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000600314173 520200761 /nfs/dbraw/zinc/20/07/61/520200761.db2.gz MFOBVCBHZZHDFA-QWHCGFSZSA-N 1 0 369.849 2.864 20 5 FFBDRO O=C(NCc1ccccc1)[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000592154804 520233137 /nfs/dbraw/zinc/23/31/37/520233137.db2.gz KCAQAYMZGBWOGM-INIZCTEOSA-N 1 0 357.385 2.872 20 5 FFBDRO CC(C)(C)N1C[C@@H](C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1=O ZINC000594992050 520245624 /nfs/dbraw/zinc/24/56/24/520245624.db2.gz ACPJFKOWFQWGAT-LLVKDONJSA-N 1 0 371.384 2.933 20 5 FFBDRO COC(=O)COc1ccc(CNc2cc[nH+]c(C)c2Cl)cc1[N+](=O)[O-] ZINC000616955355 520255787 /nfs/dbraw/zinc/25/57/87/520255787.db2.gz HJDVNEPDCIKMKN-UHFFFAOYSA-N 1 0 365.773 2.537 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000595048851 520270681 /nfs/dbraw/zinc/27/06/81/520270681.db2.gz RQAZIEOAYOASLM-GJZGRUSLSA-N 1 0 351.447 2.755 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000592235791 520280608 /nfs/dbraw/zinc/28/06/08/520280608.db2.gz UIRIVWFYWZWZSR-UHFFFAOYSA-N 1 0 362.430 2.540 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000597857638 520287308 /nfs/dbraw/zinc/28/73/08/520287308.db2.gz HSUKRNBUEDPMML-GFCCVEGCSA-N 1 0 370.247 2.960 20 5 FFBDRO CCS(=O)(=O)C1(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC000595098613 520292990 /nfs/dbraw/zinc/29/29/90/520292990.db2.gz CMGRBLXAYDBEFK-GOEBONIOSA-N 1 0 366.483 2.863 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000609354814 520293329 /nfs/dbraw/zinc/29/33/29/520293329.db2.gz LSFOHGKDQMZRCX-BETUJISGSA-N 1 0 350.419 2.988 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000609509297 520336602 /nfs/dbraw/zinc/33/66/02/520336602.db2.gz NMUUMCBCYDROIU-FZMZJTMJSA-N 1 0 367.833 2.711 20 5 FFBDRO CCN(C(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CC[N@H+](C)C1 ZINC000597945580 520344205 /nfs/dbraw/zinc/34/42/05/520344205.db2.gz ITDLLUNPUSVAKO-YPMHNXCESA-N 1 0 355.822 2.568 20 5 FFBDRO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc21)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000595221633 520356419 /nfs/dbraw/zinc/35/64/19/520356419.db2.gz BFMZPDLYEYJOFZ-CQSZACIVSA-N 1 0 356.426 2.928 20 5 FFBDRO CC(C)(C)OC(=O)C1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000592374678 520356602 /nfs/dbraw/zinc/35/66/02/520356602.db2.gz NVYXAJNNFHFMEI-UHFFFAOYSA-N 1 0 350.415 2.823 20 5 FFBDRO C[C@H](CCNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])[NH+](C)C ZINC000597995435 520366489 /nfs/dbraw/zinc/36/64/89/520366489.db2.gz GICAAKPJQQVXKN-SNVBAGLBSA-N 1 0 363.336 2.606 20 5 FFBDRO C[C@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000609583630 520366681 /nfs/dbraw/zinc/36/66/81/520366681.db2.gz STYJBNXFFSBBOR-AWEZNQCLSA-N 1 0 360.458 2.655 20 5 FFBDRO [NH3+]C[C@@H]1CCCc2ccc(C(=O)NCCNc3ccccc3[N+](=O)[O-])cc21 ZINC000595250356 520371906 /nfs/dbraw/zinc/37/19/06/520371906.db2.gz PTQUOPUGXLHRHW-INIZCTEOSA-N 1 0 368.437 2.815 20 5 FFBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000609599234 520373831 /nfs/dbraw/zinc/37/38/31/520373831.db2.gz GWTLCHPDKHVJCE-HNNXBMFYSA-N 1 0 364.446 2.537 20 5 FFBDRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)c2cc(C)ccc2[N+](=O)[O-])cc1 ZINC000595255767 520374443 /nfs/dbraw/zinc/37/44/43/520374443.db2.gz DLNMYLHVHIKWPV-WMZOPIPTSA-N 1 0 369.421 2.787 20 5 FFBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595264169 520378224 /nfs/dbraw/zinc/37/82/24/520378224.db2.gz KNOAHLWNCGNBPJ-QGZVFWFLSA-N 1 0 360.458 2.559 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)c1 ZINC000595269818 520382188 /nfs/dbraw/zinc/38/21/88/520382188.db2.gz SSGCINVENSRACT-NVXWUHKLSA-N 1 0 357.385 2.918 20 5 FFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@]2(CO)CCCN(Cc3ccccc3)C2)c1 ZINC000609625535 520384805 /nfs/dbraw/zinc/38/48/05/520384805.db2.gz UZZVXBOFQPTBSW-FQEVSTJZSA-N 1 0 355.438 2.712 20 5 FFBDRO Cc1nn(C)c(NCC2([N@@H+]3CCOC(C)(C)C3)CCCCC2)c1[N+](=O)[O-] ZINC000609631115 520387637 /nfs/dbraw/zinc/38/76/37/520387637.db2.gz IZGFHCHUNKPVEZ-UHFFFAOYSA-N 1 0 365.478 2.862 20 5 FFBDRO Cc1cccc(N2CC[NH+](CCCNc3nccc(C)c3[N+](=O)[O-])CC2)c1 ZINC000609669245 520401084 /nfs/dbraw/zinc/40/10/84/520401084.db2.gz AKPBNTJDUPDCOH-UHFFFAOYSA-N 1 0 369.469 2.653 20 5 FFBDRO O=C(Cc1cccc([N+](=O)[O-])c1)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000598062195 520405132 /nfs/dbraw/zinc/40/51/32/520405132.db2.gz NUNYCDJRWYAGNX-UHFFFAOYSA-N 1 0 368.437 2.561 20 5 FFBDRO O=C(CN1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000592479182 520406771 /nfs/dbraw/zinc/40/67/71/520406771.db2.gz UEMBSICEWGVHTE-IUODEOHRSA-N 1 0 366.849 2.651 20 5 FFBDRO CC(C)OC(=O)C[C@@H](NC(=O)CCC(C)(C)[NH3+])c1ccccc1[N+](=O)[O-] ZINC000592480774 520407162 /nfs/dbraw/zinc/40/71/62/520407162.db2.gz FXEZQSMXRSDHRK-CQSZACIVSA-N 1 0 365.430 2.611 20 5 FFBDRO O=C1N[C@@H]2CCCC[C@H]2C[C@H]1[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000595331482 520413407 /nfs/dbraw/zinc/41/34/07/520413407.db2.gz VRFJLGUXYUKBPU-GDIGMMSISA-N 1 0 373.453 2.885 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@@H]2C[C@H]2c2ccc(F)cc2F)c1 ZINC000600761475 520454931 /nfs/dbraw/zinc/45/49/31/520454931.db2.gz ZVEYXXCKODZULE-QANKJYHBSA-N 1 0 364.348 2.758 20 5 FFBDRO O=C(N[C@H]1CC[NH2+]C12CCCC2)c1ccc([N+](=O)[O-])cc1Br ZINC000592570851 520458628 /nfs/dbraw/zinc/45/86/28/520458628.db2.gz SNFCGYCCRQKOQS-ZDUSSCGKSA-N 1 0 368.231 2.762 20 5 FFBDRO CNc1ccc(C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000604181816 520472987 /nfs/dbraw/zinc/47/29/87/520472987.db2.gz XCOFAPKAMHXROR-QGZVFWFLSA-N 1 0 360.389 2.808 20 5 FFBDRO C[NH2+]C1(CNC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)CCC1 ZINC000600827703 520491202 /nfs/dbraw/zinc/49/12/02/520491202.db2.gz XHNWBVNDLKEAJE-UHFFFAOYSA-N 1 0 356.220 2.538 20 5 FFBDRO CN(C(=O)c1ccc([N+](=O)[O-])cc1Br)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000610044964 520515602 /nfs/dbraw/zinc/51/56/02/520515602.db2.gz KEDNKCLDFQKQDR-GFCCVEGCSA-N 1 0 368.231 2.666 20 5 FFBDRO C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)C1CC[NH+](C)CC1 ZINC000610065079 520521593 /nfs/dbraw/zinc/52/15/93/520521593.db2.gz IPDPMWVGTLPWGK-JTQLQIEISA-N 1 0 370.247 2.817 20 5 FFBDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000598261341 520525567 /nfs/dbraw/zinc/52/55/67/520525567.db2.gz REKTVEKUGFHLJU-OAHLLOKOSA-N 1 0 361.442 2.794 20 5 FFBDRO Cc1noc(CN(C)C2CC[NH+](CCC(F)(F)F)CC2)c1[N+](=O)[O-] ZINC000595523240 520526653 /nfs/dbraw/zinc/52/66/53/520526653.db2.gz PYVGDWJZSIROTE-UHFFFAOYSA-N 1 0 350.341 2.740 20 5 FFBDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000598265969 520529072 /nfs/dbraw/zinc/52/90/72/520529072.db2.gz XDHVANXHCOEEOV-ZDUSSCGKSA-N 1 0 372.425 2.699 20 5 FFBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000610100367 520539738 /nfs/dbraw/zinc/53/97/38/520539738.db2.gz WYQVHIKUZLVESH-ROUUACIJSA-N 1 0 360.458 2.844 20 5 FFBDRO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000610129634 520552692 /nfs/dbraw/zinc/55/26/92/520552692.db2.gz VOVCXNLGXULQHT-NWDGAFQWSA-N 1 0 351.378 2.949 20 5 FFBDRO CCC[N@H+](C)CC(C)(C)NC(=O)c1cc(C(=O)OCC)cc([N+](=O)[O-])c1 ZINC000598465669 520629955 /nfs/dbraw/zinc/62/99/55/520629955.db2.gz HQWCWKGTHPUIDN-UHFFFAOYSA-N 1 0 365.430 2.622 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC2(CCCC2)OC[C@H]1C[NH+](C)C ZINC000598535317 520687671 /nfs/dbraw/zinc/68/76/71/520687671.db2.gz AXHMGWRHIQHTMX-MRXNPFEDSA-N 1 0 361.442 2.619 20 5 FFBDRO CC1([NH+]2CCCC2)CCN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC1 ZINC000601216056 520691594 /nfs/dbraw/zinc/69/15/94/520691594.db2.gz KLRCDZMAHHLUCT-UHFFFAOYSA-N 1 0 357.414 2.698 20 5 FFBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@](O)(C2CC2)C1 ZINC000595752086 520700115 /nfs/dbraw/zinc/70/01/15/520700115.db2.gz SCEAAYIRRBNOKB-KZULUSFZSA-N 1 0 358.398 2.943 20 5 FFBDRO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2Cc2ccc([N+](=O)[O-])cc2F)C[C@H](C)O1 ZINC000610476289 520704716 /nfs/dbraw/zinc/70/47/16/520704716.db2.gz VASYXCZOHKUADB-VBQJREDUSA-N 1 0 351.422 2.808 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H]1CCC[C@H]1Cc1cnn(C)c1 ZINC000595770869 520713002 /nfs/dbraw/zinc/71/30/02/520713002.db2.gz OBJRPQFMIUHFDB-RDJZCZTQSA-N 1 0 371.441 2.576 20 5 FFBDRO CC[C@@H]1C[N@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])[C@@H](CC)CO1 ZINC000593059998 520715037 /nfs/dbraw/zinc/71/50/37/520715037.db2.gz VAWQTONCGXKLJK-UONOGXRCSA-N 1 0 365.430 2.821 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+]1CCC([C@@H]2CCCCO2)CC1 ZINC000595785774 520723337 /nfs/dbraw/zinc/72/33/37/520723337.db2.gz ZHLKHVVUHMABQS-WMZOPIPTSA-N 1 0 364.442 2.616 20 5 FFBDRO C[N@@H+]1CCN(CCOc2cccc([N+](=O)[O-])c2)[C@H](Cc2ccccc2)C1 ZINC000593088503 520735774 /nfs/dbraw/zinc/73/57/74/520735774.db2.gz FMMJHHBRNWWRLQ-LJQANCHMSA-N 1 0 355.438 2.832 20 5 FFBDRO CC[NH+]1CCC(CCNS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)CC1 ZINC000598612267 520742443 /nfs/dbraw/zinc/74/24/43/520742443.db2.gz NBINOMVOUOPKNZ-UHFFFAOYSA-N 1 0 369.487 2.612 20 5 FFBDRO COC(=O)c1ccnc(N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)c1[N+](=O)[O-] ZINC000598627702 520751217 /nfs/dbraw/zinc/75/12/17/520751217.db2.gz XQUMAXHIDPYDHV-CJNGLKHVSA-N 1 0 370.409 2.851 20 5 FFBDRO CN(C(=O)CN1CC[C@@H](Oc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000595834421 520755866 /nfs/dbraw/zinc/75/58/66/520755866.db2.gz ZKYYICYADDGLBE-GOSISDBHSA-N 1 0 355.394 2.711 20 5 FFBDRO COc1cc(C[N@@H+]2CC[C@@H]3COC[C@H]3C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000595836686 520757310 /nfs/dbraw/zinc/75/73/10/520757310.db2.gz YEEMWFUUHDQLHZ-DGCLKSJQSA-N 1 0 372.368 2.716 20 5 FFBDRO [NH3+]C[C@@H]1CCc2ccccc2N1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000595902990 520809112 /nfs/dbraw/zinc/80/91/12/520809112.db2.gz LOUGTNPDODLVPR-AWEZNQCLSA-N 1 0 374.828 2.967 20 5 FFBDRO CCOc1cc(C(=O)N2[C@H](C)C[N@H+](C)[C@@H](C)[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000593187404 520811065 /nfs/dbraw/zinc/81/10/65/520811065.db2.gz KCGOVPXLLHNWAQ-AGIUHOORSA-N 1 0 365.430 2.555 20 5 FFBDRO Cc1sc(S(=O)(=O)N2CCC(C)([NH+]3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000601497022 520812680 /nfs/dbraw/zinc/81/26/80/520812680.db2.gz MOBAFRHQWRCZRY-UHFFFAOYSA-N 1 0 373.500 2.604 20 5 FFBDRO O=C(c1cc(C2CC[NH2+]CC2)no1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000595926371 520828566 /nfs/dbraw/zinc/82/85/66/520828566.db2.gz KWGVRJSADFPTAR-UHFFFAOYSA-N 1 0 370.409 2.855 20 5 FFBDRO CC[N@H+](CCCNC(=O)CCn1cc([N+](=O)[O-])nc1C)C1CCCCC1 ZINC000593251902 520858789 /nfs/dbraw/zinc/85/87/89/520858789.db2.gz VVGWANCEGJDTHY-UHFFFAOYSA-N 1 0 365.478 2.651 20 5 FFBDRO COc1cc(NC[C@H](C(C)C)N2CC[NH+](C)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596069923 520894242 /nfs/dbraw/zinc/89/42/42/520894242.db2.gz KDNBVVGNJSZLPI-MRXNPFEDSA-N 1 0 370.881 2.941 20 5 FFBDRO O=C(CNc1ccc(C(F)F)cc1[N+](=O)[O-])NCC[NH+]1CCCCCC1 ZINC000596239823 520990755 /nfs/dbraw/zinc/99/07/55/520990755.db2.gz LBSXBNNAECLCIF-UHFFFAOYSA-N 1 0 370.400 2.937 20 5 FFBDRO CCC1([NH+](C)C)CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C)CC1 ZINC000601858775 520991565 /nfs/dbraw/zinc/99/15/65/520991565.db2.gz HDZGLFLIBAANTO-UHFFFAOYSA-N 1 0 358.446 2.701 20 5 FFBDRO C[C@H](Nc1ccc([N+](=O)[O-])c(N2CCOCC2)c1F)C1CC[NH+](C)CC1 ZINC000599045689 520997511 /nfs/dbraw/zinc/99/75/11/520997511.db2.gz YYAMFSCEYMDWNU-ZDUSSCGKSA-N 1 0 366.437 2.713 20 5 FFBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000611148070 521009669 /nfs/dbraw/zinc/00/96/69/521009669.db2.gz JJHVXBIPAQTGDZ-UHFFFAOYSA-N 1 0 362.349 2.838 20 5 FFBDRO Cn1c(=O)oc2ccc(C[NH2+][C@H]3CCCC[C@@H]3n3ccc([N+](=O)[O-])n3)cc21 ZINC000599078622 521020287 /nfs/dbraw/zinc/02/02/87/521020287.db2.gz DNAFALVVGJAYCM-KBPBESRZSA-N 1 0 371.397 2.510 20 5 FFBDRO Cc1c([C@@H](C)[NH2+]C[C@@H]2CN(Cc3ccncc3)CCO2)cccc1[N+](=O)[O-] ZINC000599088307 521023992 /nfs/dbraw/zinc/02/39/92/521023992.db2.gz QCEHDAOHFJXAMJ-SJLPKXTDSA-N 1 0 370.453 2.850 20 5 FFBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000611185038 521029566 /nfs/dbraw/zinc/02/95/66/521029566.db2.gz OOVYGDWAERFRHL-YLJYHZDGSA-N 1 0 371.437 2.856 20 5 FFBDRO O=C(Nc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000611197693 521033114 /nfs/dbraw/zinc/03/31/14/521033114.db2.gz YEOMTEUHFHLPLW-UHFFFAOYSA-N 1 0 373.384 2.943 20 5 FFBDRO C[N@@H+]1CCCC[C@H](CNC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000599157264 521061585 /nfs/dbraw/zinc/06/15/85/521061585.db2.gz QJYONIFZHSGRDC-CQSZACIVSA-N 1 0 373.457 2.650 20 5 FFBDRO O=[N+]([O-])c1cc2c(cc1CN1CCCC[C@@H]([NH+]3CCCC3)C1)OCCO2 ZINC000611267345 521065723 /nfs/dbraw/zinc/06/57/23/521065723.db2.gz SILHCWMXFMYVCU-MRXNPFEDSA-N 1 0 361.442 2.816 20 5 FFBDRO Cc1cc(N2CC[C@H]3CC[C@@H](C2)S3(=O)=O)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000599167162 521067980 /nfs/dbraw/zinc/06/79/80/521067980.db2.gz PSFDPPNKPYGDIQ-KGLIPLIRSA-N 1 0 361.423 2.607 20 5 FFBDRO Cc1cc(N2CCO[C@@H](CCC[NH+](C)C)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000596566742 521135556 /nfs/dbraw/zinc/13/55/56/521135556.db2.gz KCVLEUUAPJLXAP-HNNXBMFYSA-N 1 0 358.442 2.998 20 5 FFBDRO C[NH+](C)CCOc1ccc(CNCc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000618618938 521146301 /nfs/dbraw/zinc/14/63/01/521146301.db2.gz ASIPAZCHJMGGJF-UHFFFAOYSA-N 1 0 369.425 2.701 20 5 FFBDRO CN(CC1CC[NH+](C)CC1)C(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599331677 521157339 /nfs/dbraw/zinc/15/73/39/521157339.db2.gz WVTCKMLREHRRQB-UHFFFAOYSA-N 1 0 370.247 2.771 20 5 FFBDRO Cn1cc(C[NH2+]CCc2ccc(CO)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000611443431 521161451 /nfs/dbraw/zinc/16/14/51/521161451.db2.gz QLBRGAVMLNNOGD-UHFFFAOYSA-N 1 0 366.421 2.820 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@H]([NH+](C)C)C2(C)C)cc1SC ZINC000602168256 521183487 /nfs/dbraw/zinc/18/34/87/521183487.db2.gz BVCIMVNSBQUBPF-GJZGRUSLSA-N 1 0 367.471 2.784 20 5 FFBDRO C[NH+](C)[C@@H]1C[C@H](NC(=O)c2c(Br)cccc2[N+](=O)[O-])C1(C)C ZINC000602169120 521185010 /nfs/dbraw/zinc/18/50/10/521185010.db2.gz DZXUJRQNWPLWIY-NWDGAFQWSA-N 1 0 370.247 2.816 20 5 FFBDRO O=[N+]([O-])c1ccc(OCC[N@H+](Cc2ccccc2)[C@@]2(CO)CCOC2)cc1 ZINC000599395763 521197614 /nfs/dbraw/zinc/19/76/14/521197614.db2.gz JVEKQQHBQCYZQA-HXUWFJFHSA-N 1 0 372.421 2.627 20 5 FFBDRO COc1ccc(COCC[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000618759970 521217216 /nfs/dbraw/zinc/21/72/16/521217216.db2.gz FLTLJWDFZDKPHE-UHFFFAOYSA-N 1 0 360.414 2.654 20 5 FFBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000611614716 521249321 /nfs/dbraw/zinc/24/93/21/521249321.db2.gz CLMDHNWBGLIFOZ-RYUDHWBXSA-N 1 0 355.341 2.553 20 5 FFBDRO CCOc1cc(C[N@@H+]2CC3(CCOCC3)CC[C@H]2CO)ccc1[N+](=O)[O-] ZINC000599543148 521284967 /nfs/dbraw/zinc/28/49/67/521284967.db2.gz MOLFBRMFLFDWPN-INIZCTEOSA-N 1 0 364.442 2.747 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000593910657 521285189 /nfs/dbraw/zinc/28/51/89/521285189.db2.gz AQYDYARWWLWABZ-DAYGRLMNSA-N 1 0 361.442 2.570 20 5 FFBDRO CN(C(=O)c1c(Br)cccc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C)C1 ZINC000599576516 521308991 /nfs/dbraw/zinc/30/89/91/521308991.db2.gz ONVAJPFKTDSVBI-SNVBAGLBSA-N 1 0 356.220 2.524 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CCC(C)([NH+]2CCOCC2)CC1 ZINC000599623139 521338957 /nfs/dbraw/zinc/33/89/57/521338957.db2.gz SOSOVBIZPBNBFG-UHFFFAOYSA-N 1 0 363.458 2.680 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@H]3CCN(c4ccccc4)C3)CC2)cn1 ZINC000602437568 521347258 /nfs/dbraw/zinc/34/72/58/521347258.db2.gz CFFBVBZFIQVXLV-QGZVFWFLSA-N 1 0 367.453 2.638 20 5 FFBDRO CC[C@H]1CN(C(=O)c2c(Br)cccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000602492591 521377693 /nfs/dbraw/zinc/37/76/93/521377693.db2.gz NCWUVHZNVOAFMP-GXSJLCMTSA-N 1 0 356.220 2.557 20 5 FFBDRO O=C(NCCC[C@@H]1CCC[NH2+]1)c1c(Br)cccc1[N+](=O)[O-] ZINC000602497488 521380831 /nfs/dbraw/zinc/38/08/31/521380831.db2.gz VFBDJHGSZWJXRV-JTQLQIEISA-N 1 0 356.220 2.619 20 5 FFBDRO COC(=O)[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC)Cc2ccccc21 ZINC000599670239 521384539 /nfs/dbraw/zinc/38/45/39/521384539.db2.gz HDSVTUHMTFKIFD-QGZVFWFLSA-N 1 0 356.378 2.876 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@@H]3Cc4ccccc4O3)CC2)cn1 ZINC000602509647 521386868 /nfs/dbraw/zinc/38/68/68/521386868.db2.gz GGOWMIVIUBFSHA-KRWDZBQOSA-N 1 0 354.410 2.552 20 5 FFBDRO C[C@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)N1CCCC[C@H]1C ZINC000602513217 521387853 /nfs/dbraw/zinc/38/78/53/521387853.db2.gz ARNDWKRDYSJGIZ-HZPDHXFCSA-N 1 0 361.490 2.811 20 5 FFBDRO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)c1c(Br)cccc1[N+](=O)[O-])C2 ZINC000602520228 521393234 /nfs/dbraw/zinc/39/32/34/521393234.db2.gz LLFUTKCIXPRAEL-BONVTDFDSA-N 1 0 368.231 2.558 20 5 FFBDRO [NH3+]Cc1cccc2c1N(C(=O)CCOc1ccccc1[N+](=O)[O-])CCC2 ZINC000602539726 521402217 /nfs/dbraw/zinc/40/22/17/521402217.db2.gz JGLACDHKAPEPFX-UHFFFAOYSA-N 1 0 355.394 2.802 20 5 FFBDRO C[NH2+]CCOCCN(C)C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000602548494 521405346 /nfs/dbraw/zinc/40/53/46/521405346.db2.gz MQXOZXITPSBEBF-UHFFFAOYSA-N 1 0 373.409 2.695 20 5 FFBDRO CCO[C@H]1C[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C12CCC2 ZINC000602548718 521406595 /nfs/dbraw/zinc/40/65/95/521406595.db2.gz VTORSXGFIFKKQD-SJORKVTESA-N 1 0 360.458 2.896 20 5 FFBDRO COc1ccc([C@@H]([NH2+]CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C2CC2)cn1 ZINC000599699885 521410443 /nfs/dbraw/zinc/41/04/43/521410443.db2.gz NNUGWGMQXQXKOW-IBGZPJMESA-N 1 0 370.409 2.986 20 5 FFBDRO CC1(C)[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)[C@@H]2CCCO[C@@H]21 ZINC000602563420 521413528 /nfs/dbraw/zinc/41/35/28/521413528.db2.gz ZSYFXFVMARGFRC-JQHSSLGASA-N 1 0 360.458 2.752 20 5 FFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000602585163 521425954 /nfs/dbraw/zinc/42/59/54/521425954.db2.gz OGBRVOJCZUSEIP-UHFFFAOYSA-N 1 0 355.394 2.569 20 5 FFBDRO C[C@H]1OCC[C@]12C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)C[C@@H](C)O2 ZINC000619175818 521433861 /nfs/dbraw/zinc/43/38/61/521433861.db2.gz QAJGADKAROAKEV-RKVPGOIHSA-N 1 0 350.415 2.632 20 5 FFBDRO C[N@@H+](Cc1ccccc1)C[C@H](O)Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000612031650 521446482 /nfs/dbraw/zinc/44/64/82/521446482.db2.gz OOCPLDIECPXBIX-SFHVURJKSA-N 1 0 366.421 2.951 20 5 FFBDRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000594198965 521465139 /nfs/dbraw/zinc/46/51/39/521465139.db2.gz WQICGJKXWJUHKM-KGLIPLIRSA-N 1 0 369.368 2.943 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000599781349 521468231 /nfs/dbraw/zinc/46/82/31/521468231.db2.gz XFBVRMPYMCZWHU-UHFFFAOYSA-N 1 0 362.430 2.622 20 5 FFBDRO CO[C@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)Cc1ccccc1 ZINC000602673144 521471852 /nfs/dbraw/zinc/47/18/52/521471852.db2.gz IQDRDIWKFXEGDY-IBGZPJMESA-N 1 0 370.453 2.806 20 5 FFBDRO CC(C)[C@H]1C[C@H](C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCO1 ZINC000602684017 521478974 /nfs/dbraw/zinc/47/89/74/521478974.db2.gz DPMNUBRRFHWQHD-CRAIPNDOSA-N 1 0 362.474 2.999 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3CCc4ccc(O)cc43)CC2)cn1 ZINC000602718807 521493470 /nfs/dbraw/zinc/49/34/70/521493470.db2.gz UNHZZPLIEJJIAZ-SFHVURJKSA-N 1 0 354.410 2.941 20 5 FFBDRO C[C@H](c1ccccc1)[C@@H](O)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602724650 521498352 /nfs/dbraw/zinc/49/83/52/521498352.db2.gz UNVJDZWLJHXFDI-BEFAXECRSA-N 1 0 370.453 2.713 20 5 FFBDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599830658 521500087 /nfs/dbraw/zinc/50/00/87/521500087.db2.gz WGIBPAJTDDCFSM-ZDUSSCGKSA-N 1 0 357.414 2.949 20 5 FFBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2ccnc(N3CCSCC3)c2)cc1 ZINC000602738877 521506738 /nfs/dbraw/zinc/50/67/38/521506738.db2.gz DBKFPVKHXIAFJS-UHFFFAOYSA-N 1 0 358.467 2.875 20 5 FFBDRO COc1ccc(CNC(=O)c2ccc(CC[NH+](C)C)cc2)cc1[N+](=O)[O-] ZINC000594247330 521506991 /nfs/dbraw/zinc/50/69/91/521506991.db2.gz DLBBMPDXCVMFNL-UHFFFAOYSA-N 1 0 357.410 2.638 20 5 FFBDRO C[NH+]1CCC2(CCCN2C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)CC1 ZINC000597101827 521507880 /nfs/dbraw/zinc/50/78/80/521507880.db2.gz USDHALDVTZUURY-UHFFFAOYSA-N 1 0 367.837 2.923 20 5 FFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCCc2c1cnn2CCO ZINC000615720639 521512844 /nfs/dbraw/zinc/51/28/44/521512844.db2.gz ZSPPAZDICIGKBJ-PMXLPMHFSA-N 1 0 356.426 2.854 20 5 FFBDRO C[C@](O)(CO)C[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000619464244 521582748 /nfs/dbraw/zinc/58/27/48/521582748.db2.gz DTHGLOJJWAMKOR-QGZVFWFLSA-N 1 0 366.801 2.873 20 5 FFBDRO CN(C)c1cc[nH+]c(NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)c1 ZINC000612346069 521585061 /nfs/dbraw/zinc/58/50/61/521585061.db2.gz DGIWKXXMQZBLGR-UHFFFAOYSA-N 1 0 353.338 2.562 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2CCN(c3ccccn3)C2)n1 ZINC000616007422 521601207 /nfs/dbraw/zinc/60/12/07/521601207.db2.gz SJHLQKGESNOOCW-OWCLPIDISA-N 1 0 356.430 2.539 20 5 FFBDRO C[C@@H]1C[NH+](C(C)(C)CNc2ncnc3cccc([N+](=O)[O-])c32)C[C@@H](C)O1 ZINC000509057924 561783006 /nfs/dbraw/zinc/78/30/06/561783006.db2.gz QVMBDACKHACRCG-CHWSQXEVSA-N 1 0 359.430 2.838 20 5 FFBDRO COC(=O)c1cc(C)nc(NCCC[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000516479370 562044173 /nfs/dbraw/zinc/04/41/73/562044173.db2.gz JLYFDRSXXGIVRX-UHFFFAOYSA-N 1 0 350.419 2.619 20 5 FFBDRO C[C@H]([NH2+]CCOc1ccc(-c2nn[nH]n2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000820420468 606619267 /nfs/dbraw/zinc/61/92/67/606619267.db2.gz RJQQTYHJVBPQDC-LBPRGKRZSA-N 1 0 354.370 2.505 20 5 FFBDRO Cc1c([C@H](C)[NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)cccc1[N+](=O)[O-] ZINC000826235688 608280361 /nfs/dbraw/zinc/28/03/61/608280361.db2.gz OXYAQLWAQAMWIJ-ZDUSSCGKSA-N 1 0 368.397 2.813 20 5 FFBDRO C[C@H]([NH2+]CCOc1cccc(-c2nn[nH]n2)c1)c1cccc([N+](=O)[O-])c1 ZINC000824599792 608470115 /nfs/dbraw/zinc/47/01/15/608470115.db2.gz SMNLFMZAJUPZFN-LBPRGKRZSA-N 1 0 354.370 2.505 20 5 FFBDRO Cc1cc(N2CC[C@@H]3[C@H]2CC[N@H+]3CCN(C)C)nc2ccc([N+](=O)[O-])cc12 ZINC001164932513 721855202 /nfs/dbraw/zinc/85/52/02/721855202.db2.gz YNOSJQLJNVGIQI-RTBURBONSA-N 1 0 369.469 2.666 20 5 FFBDRO COc1cc2ncnc(N3CC[NH+](C4CCCC4)CC3)c2cc1[N+](=O)[O-] ZINC001165028125 721856548 /nfs/dbraw/zinc/85/65/48/721856548.db2.gz JZUXEQDSXBFGCW-UHFFFAOYSA-N 1 0 357.414 2.611 20 5 FFBDRO Cc1nc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)ncc1[N+](=O)[O-] ZINC001164958750 722023882 /nfs/dbraw/zinc/02/38/82/722023882.db2.gz FVIGFWALOJTJBK-UHFFFAOYSA-N 1 0 368.441 2.581 20 5 FFBDRO CC(C)[C@@H]1CN(CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)CCS1 ZINC000154772108 728811340 /nfs/dbraw/zinc/81/13/40/728811340.db2.gz SVOUBLUYCCMTTK-INIZCTEOSA-N 1 0 364.471 2.868 20 5 FFBDRO Nc1cc(N)[nH+]c(SCc2ccc(Br)c([N+](=O)[O-])c2)n1 ZINC000157874353 728878601 /nfs/dbraw/zinc/87/86/01/728878601.db2.gz XBLFZUWNBXIMFZ-UHFFFAOYSA-N 1 0 356.205 2.604 20 5 FFBDRO C[C@@H]1C[C@H](NC(=O)c2cccc([N+](=O)[O-])c2Br)CC[N@@H+]1C ZINC000159144600 728901702 /nfs/dbraw/zinc/90/17/02/728901702.db2.gz ZQHUTIDDTCVHAQ-NXEZZACHSA-N 1 0 356.220 2.570 20 5 FFBDRO CCOC(=O)CC[C@@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000162041488 728938395 /nfs/dbraw/zinc/93/83/95/728938395.db2.gz HPTORXQLSDURJJ-YOEHRIQHSA-N 1 0 350.415 2.684 20 5 FFBDRO CCC[N@H+](CC)CCNc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000080677950 728330362 /nfs/dbraw/zinc/33/03/62/728330362.db2.gz VFBDJWKNMQLZTK-UHFFFAOYSA-N 1 0 365.402 2.735 20 5 FFBDRO O=[N+]([O-])c1ccc(Br)cc1NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091672675 728461015 /nfs/dbraw/zinc/46/10/15/728461015.db2.gz YTOONPZCDIWBCI-VXGBXAGGSA-N 1 0 356.220 2.632 20 5 FFBDRO CC[NH+](CC)CCCNc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000110111726 728530461 /nfs/dbraw/zinc/53/04/61/728530461.db2.gz GGKHCXJOSMNVHP-UHFFFAOYSA-N 1 0 365.402 2.735 20 5 FFBDRO CCc1ccc(C(=O)OC[C@@H]2C[N@H+](CC(C)C)CCO2)cc1[N+](=O)[O-] ZINC000747119164 735535474 /nfs/dbraw/zinc/53/54/74/735535474.db2.gz RXSIWKIYVHOPET-INIZCTEOSA-N 1 0 350.415 2.671 20 5 FFBDRO CCN(CC)[C@@H](CNS(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccco1 ZINC000119661539 728598212 /nfs/dbraw/zinc/59/82/12/728598212.db2.gz HBNBPHBSYWRHBC-LBPRGKRZSA-N 1 0 373.456 2.611 20 5 FFBDRO O=[N+]([O-])c1cc(S(=O)(=O)NCCCCC[NH+]2CCCCC2)cs1 ZINC000119749692 728599687 /nfs/dbraw/zinc/59/96/87/728599687.db2.gz OBEBMZBRPSGXKJ-UHFFFAOYSA-N 1 0 361.489 2.591 20 5 FFBDRO C[C@@H](NS(=O)(=O)c1csc([N+](=O)[O-])c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000120308563 728609651 /nfs/dbraw/zinc/60/96/51/728609651.db2.gz IFHZWWMZUHARGS-NEPJUHHUSA-N 1 0 373.500 2.588 20 5 FFBDRO C[NH+](C)[C@H](CNC(=O)NCCc1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000126379458 728700486 /nfs/dbraw/zinc/70/04/86/728700486.db2.gz DKNBEMAODYBJJG-OAHLLOKOSA-N 1 0 362.455 2.801 20 5 FFBDRO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1CC[C@@H]([NH+](CC)CC)C1 ZINC000172789540 729032650 /nfs/dbraw/zinc/03/26/50/729032650.db2.gz OSWKVIGJNUTKOB-GFCCVEGCSA-N 1 0 353.394 2.831 20 5 FFBDRO COCC[N@@H+]1CCCN(c2cccc(Br)c2[N+](=O)[O-])CC1 ZINC000856724131 730350297 /nfs/dbraw/zinc/35/02/97/730350297.db2.gz URAOBYLOVMTNOQ-UHFFFAOYSA-N 1 0 358.236 2.516 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2Br)C1 ZINC000857303714 730390144 /nfs/dbraw/zinc/39/01/44/730390144.db2.gz LTLKTIPQZXIBLN-JTQLQIEISA-N 1 0 370.247 2.960 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000857634723 730403323 /nfs/dbraw/zinc/40/33/23/730403323.db2.gz MISRELFAPSDUQA-LLVKDONJSA-N 1 0 370.247 2.960 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000860313465 730501029 /nfs/dbraw/zinc/50/10/29/730501029.db2.gz YZNQFVKHCFDRLZ-KYOSRNDESA-N 1 0 367.833 2.572 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1CC2(CO1)CCOCC2 ZINC000865781072 730996776 /nfs/dbraw/zinc/99/67/76/730996776.db2.gz GRYKYVIBMHAFGL-INIZCTEOSA-N 1 0 350.415 2.669 20 5 FFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H](n1cncn1)C(F)(F)F ZINC000866435797 731060073 /nfs/dbraw/zinc/06/00/73/731060073.db2.gz GNPVVITVDMNKET-RNCFNFMXSA-N 1 0 361.299 2.650 20 5 FFBDRO C[C@]([NH3+])(C(=O)NCCc1ccc(Cl)s1)c1cccc([N+](=O)[O-])c1 ZINC000867949323 731244564 /nfs/dbraw/zinc/24/45/64/731244564.db2.gz VMCCAAWMYKZCGX-OAHLLOKOSA-N 1 0 353.831 2.843 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C)C(C)(C)CC2)cc1SC ZINC000871153331 731600404 /nfs/dbraw/zinc/60/04/04/731600404.db2.gz LPPFDQORENZCJR-UHFFFAOYSA-N 1 0 367.471 2.882 20 5 FFBDRO C[N@@H+]1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCC1(C)C ZINC000871155587 731600869 /nfs/dbraw/zinc/60/08/69/731600869.db2.gz TXHZSPBMWHNRLN-UHFFFAOYSA-N 1 0 370.247 2.914 20 5 FFBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000872033933 731722927 /nfs/dbraw/zinc/72/29/27/731722927.db2.gz KKZZUQLTOWVPST-QEJZJMRPSA-N 1 0 351.472 2.831 20 5 FFBDRO C[C@H](NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872048005 731723891 /nfs/dbraw/zinc/72/38/91/731723891.db2.gz GAJRPLCBKDEVOK-YLQAJVPDSA-N 1 0 351.422 2.762 20 5 FFBDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000874825287 732104268 /nfs/dbraw/zinc/10/42/68/732104268.db2.gz ITZLMAKJJMOMKW-UONOGXRCSA-N 1 0 357.332 2.922 20 5 FFBDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000874839249 732106333 /nfs/dbraw/zinc/10/63/33/732106333.db2.gz UPBQAJVRTYQZAX-UONOGXRCSA-N 1 0 367.833 2.712 20 5 FFBDRO [NH3+]C[C@@H]1CN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC[C@@H]1C(F)(F)F ZINC000877017776 732313161 /nfs/dbraw/zinc/31/31/61/732313161.db2.gz QZVWAYSPEGOYQJ-GUQLZWLHSA-N 1 0 357.332 2.594 20 5 FFBDRO C[C@@](O)(C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccsc1 ZINC000877052288 732318001 /nfs/dbraw/zinc/31/80/01/732318001.db2.gz VEXODPWAIFMWOB-QGZVFWFLSA-N 1 0 362.455 2.517 20 5 FFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)c1 ZINC000877346278 732347351 /nfs/dbraw/zinc/34/73/51/732347351.db2.gz QOUTUZDQRSWPSH-CQSZACIVSA-N 1 0 357.435 2.761 20 5 FFBDRO CSc1ccc(C(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000877367717 732353101 /nfs/dbraw/zinc/35/31/01/732353101.db2.gz QDNZVSJFASDNKX-UWVGGRQHSA-N 1 0 363.361 2.526 20 5 FFBDRO CN(CC[NH+]1CC2(C1)CCOCC2)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000877765894 732425961 /nfs/dbraw/zinc/42/59/61/732425961.db2.gz LWICCFMPGGSUOY-UHFFFAOYSA-N 1 0 353.850 2.792 20 5 FFBDRO CC[C@H]1C[N@H+](C)CCN1Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000878655805 732572887 /nfs/dbraw/zinc/57/28/87/732572887.db2.gz ADCRMPFSZQJRJJ-LBPRGKRZSA-N 1 0 365.821 2.824 20 5 FFBDRO C[N@@H+]1CC[C@@H]2CN(Cc3cccc([N+](=O)[O-])c3Br)CC[C@@H]21 ZINC000879579079 732728672 /nfs/dbraw/zinc/72/86/72/732728672.db2.gz JOGUXXVIHKTPHR-YPMHNXCESA-N 1 0 354.248 2.883 20 5 FFBDRO COc1ccccc1[C@@H]1CSCCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000880174529 732859885 /nfs/dbraw/zinc/85/98/85/732859885.db2.gz PKVDQDUBEIRFLD-HNNXBMFYSA-N 1 0 362.455 2.980 20 5 FFBDRO CO[C@@H]1COCC[C@@H]1[N@H+](C)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000880437534 732908164 /nfs/dbraw/zinc/90/81/64/732908164.db2.gz MMQLHCIJCCPMNS-GXTWGEPZSA-N 1 0 359.220 2.593 20 5 FFBDRO CC1([NH+]2CCC2)CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000880473046 732912502 /nfs/dbraw/zinc/91/25/02/732912502.db2.gz MVKAUIZJCPIMOC-UHFFFAOYSA-N 1 0 366.849 2.747 20 5 FFBDRO COc1cc(N2CCC[C@H]([NH2+]C3CCOCC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000882728500 733281040 /nfs/dbraw/zinc/28/10/40/733281040.db2.gz ZTVJAMVIZHSEKC-ZDUSSCGKSA-N 1 0 369.849 2.994 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+]CC2(C)CC(F)(F)C2)cc1[N+](=O)[O-] ZINC000883250247 733355952 /nfs/dbraw/zinc/35/59/52/733355952.db2.gz KBKBTDNRFICKFG-UHFFFAOYSA-N 1 0 358.341 2.672 20 5 FFBDRO C[C@H]([NH2+]CCN1CCNC1=O)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000886741164 733824348 /nfs/dbraw/zinc/82/43/48/733824348.db2.gz WYHNPTDBLYCTKS-LBPRGKRZSA-N 1 0 360.439 2.999 20 5 FFBDRO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000927646679 738765686 /nfs/dbraw/zinc/76/56/86/738765686.db2.gz WFZMMGDMONQNTA-CYBMUJFWSA-N 1 0 368.821 2.623 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@]2(C)C[NH+]3CCC2CC3)cc1SC ZINC000892782714 734602979 /nfs/dbraw/zinc/60/29/79/734602979.db2.gz AWYYPANBJRFTNE-QGZVFWFLSA-N 1 0 365.455 2.539 20 5 FFBDRO Cn1ccnc1[C@H]1C[C@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000894792621 734917989 /nfs/dbraw/zinc/91/79/89/734917989.db2.gz ZMSRWPDWUWIFTG-UKRRQHHQSA-N 1 0 350.806 2.992 20 5 FFBDRO Cc1c(Br)c(N2CCC(C)([NH+](C)C)CC2)ncc1[N+](=O)[O-] ZINC000894848654 734927210 /nfs/dbraw/zinc/92/72/10/734927210.db2.gz LEKIOGYNQDJWTR-UHFFFAOYSA-N 1 0 357.252 2.981 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C[C@H]1C ZINC000740886553 735095410 /nfs/dbraw/zinc/09/54/10/735095410.db2.gz UEZPBVNWESJBRW-TZMCWYRMSA-N 1 0 368.865 2.991 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)cc1C(F)(F)F ZINC000897221195 735208071 /nfs/dbraw/zinc/20/80/71/735208071.db2.gz JFFGCOWIDLFFBF-CABCVRRESA-N 1 0 359.348 2.649 20 5 FFBDRO C[C@H](C[NH2+]Cc1cc(Br)nn1C)c1ccccc1[N+](=O)[O-] ZINC000897465430 735238439 /nfs/dbraw/zinc/23/84/39/735238439.db2.gz WERHXWDKYVFGDW-SNVBAGLBSA-N 1 0 353.220 2.984 20 5 FFBDRO COc1cc([C@H](C)[NH2+]CC[S@@](=O)CC(F)(F)F)cc([N+](=O)[O-])c1 ZINC000903201655 736054171 /nfs/dbraw/zinc/05/41/71/736054171.db2.gz ZAXTVOSKMQFOEU-YGWIHHTISA-N 1 0 354.350 2.565 20 5 FFBDRO CC[C@@H]([NH2+]CC1(O)CCC2(CC1)OCCO2)c1cccc([N+](=O)[O-])c1 ZINC000903374103 736084714 /nfs/dbraw/zinc/08/47/14/736084714.db2.gz HKZIOSNPLALMRN-MRXNPFEDSA-N 1 0 350.415 2.684 20 5 FFBDRO C[C@H](NCc1c(F)cccc1[N+](=O)[O-])c1cccc(NS(C)(=O)=O)c1 ZINC000753910917 736105655 /nfs/dbraw/zinc/10/56/55/736105655.db2.gz MCZAICLHZPCNNG-NSHDSACASA-N 1 0 367.402 2.956 20 5 FFBDRO COc1cc(CN2CC[C@H]3CC[C@@]32C[NH3+])c([N+](=O)[O-])cc1OC(F)F ZINC000903853366 736176538 /nfs/dbraw/zinc/17/65/38/736176538.db2.gz FHAYKBKKAGWUNE-BDJLRTHQSA-N 1 0 357.357 2.518 20 5 FFBDRO O=[N+]([O-])c1ccc(CCc2nc(CC3CC[NH2+]CC3)no2)c(Cl)c1 ZINC000904073479 736217462 /nfs/dbraw/zinc/21/74/62/736217462.db2.gz QHAKMVJLCZITJV-UHFFFAOYSA-N 1 0 350.806 2.959 20 5 FFBDRO C[NH+](C)[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)C1CC1 ZINC000754986576 736222893 /nfs/dbraw/zinc/22/28/93/736222893.db2.gz FAPKFCYQFGJBMF-LBPRGKRZSA-N 1 0 374.210 2.566 20 5 FFBDRO C[C@H]1CC[N@H+](CCNC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 ZINC000755022773 736227397 /nfs/dbraw/zinc/22/73/97/736227397.db2.gz YDYGWDMXXXPJDK-VIFPVBQESA-N 1 0 374.210 2.568 20 5 FFBDRO CC1(C)CC[C@@H](CC[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])OC1 ZINC000905641517 736374840 /nfs/dbraw/zinc/37/48/40/736374840.db2.gz CXBQWYXYAKFPSX-GJZGRUSLSA-N 1 0 352.431 2.519 20 5 FFBDRO CS[C@H]1CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000758790063 736521331 /nfs/dbraw/zinc/52/13/31/736521331.db2.gz FVIFAYDQCBUTDZ-GJZGRUSLSA-N 1 0 369.874 2.900 20 5 FFBDRO CN(C(=O)CCc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1C[NH+]2CCC1CC2 ZINC000906647448 736528860 /nfs/dbraw/zinc/52/88/60/736528860.db2.gz CWTNAIDDHXPCJD-MRXNPFEDSA-N 1 0 351.834 2.733 20 5 FFBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)C1 ZINC000906845400 736550583 /nfs/dbraw/zinc/55/05/83/736550583.db2.gz MCTVPMNXMNAVEX-LLVKDONJSA-N 1 0 354.838 2.634 20 5 FFBDRO C[NH+](C)CCn1nccc1NC(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC000908441905 736776043 /nfs/dbraw/zinc/77/60/43/736776043.db2.gz FQEJFBWCYLSXGK-UHFFFAOYSA-N 1 0 365.821 2.578 20 5 FFBDRO CC(C)[NH+]1CCC(NC(=O)COc2c(F)cc([N+](=O)[O-])cc2Cl)CC1 ZINC000912358657 737295680 /nfs/dbraw/zinc/29/56/80/737295680.db2.gz CQEJOULMHLBHJV-UHFFFAOYSA-N 1 0 373.812 2.755 20 5 FFBDRO CN(CC[N@H+](C)CCOc1ccccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000768757613 737455472 /nfs/dbraw/zinc/45/54/72/737455472.db2.gz JIFOZWGNGXYRCW-UHFFFAOYSA-N 1 0 353.419 2.772 20 5 FFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)OCC[NH+]1CCCCC1 ZINC000770399643 737623104 /nfs/dbraw/zinc/62/31/04/737623104.db2.gz XWWWMQBFKIZZMQ-UHFFFAOYSA-N 1 0 371.231 2.929 20 5 FFBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](C[C@H]3CCCO3)CC2)c([N+](=O)[O-])c1 ZINC000917063961 737739080 /nfs/dbraw/zinc/73/90/80/737739080.db2.gz FLPUUQKFCQQCQR-CQSZACIVSA-N 1 0 350.375 2.558 20 5 FFBDRO C[NH+](C)C1(CNS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCCCCC1 ZINC000918191624 737797838 /nfs/dbraw/zinc/79/78/38/737797838.db2.gz IQYFGEKECVAYSY-UHFFFAOYSA-N 1 0 373.450 2.667 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@H]2COC3(CCCC3)O2)n1 ZINC000774270385 737975922 /nfs/dbraw/zinc/97/59/22/737975922.db2.gz DTXSSPUSZFCNIA-SOUVJXGZSA-N 1 0 350.419 2.550 20 5 FFBDRO COc1cc(C[NH2+]C[C@@H]2CC[C@H](C(F)(F)F)O2)c([N+](=O)[O-])cc1O ZINC000922462982 738149441 /nfs/dbraw/zinc/14/94/41/738149441.db2.gz QAHNURMNWICEPF-TVQRCGJNSA-N 1 0 350.293 2.509 20 5 FFBDRO C[C@@H](NC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)c1ccccc1[N+](=O)[O-] ZINC000923982876 738352944 /nfs/dbraw/zinc/35/29/44/738352944.db2.gz IYJPYGBXHDGTAL-XNRPHZJLSA-N 1 0 364.471 2.535 20 5 FFBDRO Cc1ccsc1[C@H](CO)[NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000778157815 738359934 /nfs/dbraw/zinc/35/99/34/738359934.db2.gz DDWQTIHUKWLMSE-LBPRGKRZSA-N 1 0 369.830 2.880 20 5 FFBDRO CC[C@H](CO)[NH+]1CCN(c2ccc(C)c(Br)c2[N+](=O)[O-])CC1 ZINC000787898609 739185585 /nfs/dbraw/zinc/18/55/85/739185585.db2.gz LFQJERGNYRPBLO-GFCCVEGCSA-N 1 0 372.263 2.559 20 5 FFBDRO COC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Br)C1CCOCC1 ZINC000930923908 739186350 /nfs/dbraw/zinc/18/63/50/739186350.db2.gz LHNFTYKGKJRPJN-HNNXBMFYSA-N 1 0 373.247 2.889 20 5 FFBDRO Cc1ccc(OS(=O)(=O)c2ccc(C[NH+](C)C)cc2)cc1[N+](=O)[O-] ZINC000788662488 739269790 /nfs/dbraw/zinc/26/97/90/739269790.db2.gz UIRBYWWBTCSHHP-UHFFFAOYSA-N 1 0 350.396 2.733 20 5 FFBDRO C[NH+](C)C[C@H]1CCCCN1C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC000931906351 739350813 /nfs/dbraw/zinc/35/08/13/739350813.db2.gz SPGFDHYQUSZSPV-SECBINFHSA-N 1 0 358.801 2.526 20 5 FFBDRO COc1cccc(S(=O)(=O)CC[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000932179141 739399194 /nfs/dbraw/zinc/39/91/94/739399194.db2.gz DODJZARPYYGVGK-CYBMUJFWSA-N 1 0 364.423 2.728 20 5 FFBDRO CCc1ccc(OS(=O)(=O)c2ccc(C[NH+](C)C)cc2)c([N+](=O)[O-])c1 ZINC000790025179 739408468 /nfs/dbraw/zinc/40/84/68/739408468.db2.gz XULJVKFHTFQFQO-UHFFFAOYSA-N 1 0 364.423 2.987 20 5 FFBDRO C[C@](CO)(Cc1ccc(Cl)cc1)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000933442706 739626670 /nfs/dbraw/zinc/62/66/70/739626670.db2.gz NWFUBVOEZANXHW-ZWKOTPCHSA-N 1 0 364.829 2.865 20 5 FFBDRO C[C@](CO)(Cc1ccc(Cl)cc1)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000933443059 739627150 /nfs/dbraw/zinc/62/71/50/739627150.db2.gz POIXTDSZOBITJX-QZTJIDSGSA-N 1 0 364.829 2.865 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)[NH2+]Cc2ccc(C(F)F)cc2)cc1 ZINC000792981856 739726323 /nfs/dbraw/zinc/72/63/23/739726323.db2.gz ZARLAERFBWAINA-HZPDHXFCSA-N 1 0 352.337 2.717 20 5 FFBDRO COC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000796009442 740089793 /nfs/dbraw/zinc/08/97/93/740089793.db2.gz CXIGYIQTSUZJQV-QWRGUYRKSA-N 1 0 357.357 2.830 20 5 FFBDRO O=C(NCC[N@H+]1CC=CCC1)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000797637763 740260842 /nfs/dbraw/zinc/26/08/42/740260842.db2.gz LWCVLQZLGXYASV-UHFFFAOYSA-N 1 0 369.219 2.741 20 5 FFBDRO CC[NH+](CC)[C@H](CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N)CC(C)C ZINC000801895339 740661759 /nfs/dbraw/zinc/66/17/59/740661759.db2.gz HXFDXNSNHUHUFH-LBPRGKRZSA-N 1 0 354.426 2.802 20 5 FFBDRO COCCO[C@@H]1CCCN(Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000802652321 740715362 /nfs/dbraw/zinc/71/53/62/740715362.db2.gz DINASIRMXUYQTL-GFCCVEGCSA-N 1 0 373.247 2.985 20 5 FFBDRO COCC[N@@H+]1CC[C@@H](Nc2ccc(C)c(Br)c2[N+](=O)[O-])C1 ZINC000804442285 740874465 /nfs/dbraw/zinc/87/44/65/740874465.db2.gz ULRSYVKVJLWCER-LLVKDONJSA-N 1 0 358.236 2.798 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H](CCO)c2ccc(Cl)cc2)cc1 ZINC000805821692 741014226 /nfs/dbraw/zinc/01/42/26/741014226.db2.gz MGSIHPOPHPTYNA-DLBZAZTESA-N 1 0 350.802 2.995 20 5 FFBDRO C[N@H+](CCC1CCCCCC1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985426164 741394671 /nfs/dbraw/zinc/39/46/71/741394671.db2.gz MCVHKANIDSBRAR-QZTJIDSGSA-N 1 0 351.491 2.935 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)OCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000811447890 741523086 /nfs/dbraw/zinc/52/30/86/741523086.db2.gz PGCQKNBNJPJOCU-KRWDZBQOSA-N 1 0 354.378 2.729 20 5 FFBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC000812384612 741616079 /nfs/dbraw/zinc/61/60/79/741616079.db2.gz TYZVXUNPUOVNRX-LLVKDONJSA-N 1 0 352.391 2.662 20 5 FFBDRO CC(C)[C@H]([NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1(CO)CCC1 ZINC000815250239 741916910 /nfs/dbraw/zinc/91/69/10/741916910.db2.gz RHMHQWKPWOWCIS-INIZCTEOSA-N 1 0 369.849 2.964 20 5 FFBDRO CC(C)(C)[C@@H](C[NH3+])NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000818006975 742229372 /nfs/dbraw/zinc/22/93/72/742229372.db2.gz SQVNIHPDNRWIIP-SNVBAGLBSA-N 1 0 362.199 2.600 20 5 FFBDRO Cc1c(C(=O)N[C@@](C)(C[NH3+])CC(C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000818518952 742275301 /nfs/dbraw/zinc/27/53/01/742275301.db2.gz AAAUOAYQCQAXPJ-MRXNPFEDSA-N 1 0 352.391 2.613 20 5 FFBDRO [NH3+][C@@H]1CCCc2cn(Cc3ccc(Br)c([N+](=O)[O-])c3)nc21 ZINC000818617620 742284292 /nfs/dbraw/zinc/28/42/92/742284292.db2.gz DSQGCUWJTRCADB-GFCCVEGCSA-N 1 0 351.204 2.938 20 5 FFBDRO CC(C)(C)OC(=O)NC[C@](C)(O)C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000819149690 742343947 /nfs/dbraw/zinc/34/39/47/742343947.db2.gz KWZDEGPHJGPEQB-MRXNPFEDSA-N 1 0 373.837 2.614 20 5 FFBDRO CCOC(=O)C1CCC(O)(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000819148804 742344335 /nfs/dbraw/zinc/34/43/35/742344335.db2.gz DREXKIOSJPADNG-UHFFFAOYSA-N 1 0 370.833 2.822 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@H]2COC3(CCCCCC3)O2)c1 ZINC000819213496 742354907 /nfs/dbraw/zinc/35/49/07/742354907.db2.gz TYLIXGIHKQPQDJ-DLBZAZTESA-N 1 0 350.415 2.684 20 5 FFBDRO Cc1nc2c(s1)[C@@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)CCC2 ZINC000819216114 742355672 /nfs/dbraw/zinc/35/56/72/742355672.db2.gz CTLSAGXDTLPKAP-HIFRSBDPSA-N 1 0 363.439 2.767 20 5 FFBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNC[C@@H]1CCC[N@H+]1CCCO ZINC000824564269 743106504 /nfs/dbraw/zinc/10/65/04/743106504.db2.gz HFFLCSBIOHXKQU-ZDUSSCGKSA-N 1 0 362.257 2.838 20 5 FFBDRO COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000824644951 743121558 /nfs/dbraw/zinc/12/15/58/743121558.db2.gz VEKTXCPZZDLVJQ-VXGBXAGGSA-N 1 0 353.419 2.995 20 5 FFBDRO CC[NH+](CC)[C@H](CNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)CC(C)C ZINC000825888263 743338551 /nfs/dbraw/zinc/33/85/51/743338551.db2.gz VZUMKAUSKATUMU-DLBZAZTESA-N 1 0 351.447 2.501 20 5 FFBDRO C[N@H+](Cc1ccsc1)Cc1ccccc1CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001050243644 743506168 /nfs/dbraw/zinc/50/61/68/743506168.db2.gz BPDHYYRFYRECIB-IAGOWNOFSA-N 1 0 359.451 2.662 20 5 FFBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000827300400 743551457 /nfs/dbraw/zinc/55/14/57/743551457.db2.gz MQXLNXZWLBHPBT-YGRLFVJLSA-N 1 0 368.231 2.524 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2csc(NC[C@H]3C[N@@H+]4CCC[C@@H]4CO3)n2)cc1 ZINC000827497332 743589976 /nfs/dbraw/zinc/58/99/76/743589976.db2.gz UMPHOOYDKAPDKA-CABCVRRESA-N 1 0 360.439 2.993 20 5 FFBDRO C[C@@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC2(CCC2)O1 ZINC000830734185 745421675 /nfs/dbraw/zinc/42/16/75/745421675.db2.gz HIMNNAVIFAGLMC-GFCCVEGCSA-N 1 0 351.378 2.706 20 5 FFBDRO CO[C@@H]1C[C@H]([NH2+]CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C12CCC2 ZINC000839191036 746798376 /nfs/dbraw/zinc/79/83/76/746798376.db2.gz NHSXUJVWDXTUFB-UONOGXRCSA-N 1 0 353.806 2.734 20 5 FFBDRO O=C(CC[N@@H+]1CCO[C@@H](C2CCC2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000839622248 746874186 /nfs/dbraw/zinc/87/41/86/746874186.db2.gz AXKQBXBEZIPQFQ-MRXNPFEDSA-N 1 0 351.378 2.563 20 5 FFBDRO O=C(CN1CCCC[C@@H]1[C@@H]1CCC[NH2+]1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000842473648 747612471 /nfs/dbraw/zinc/61/24/71/747612471.db2.gz SQWBZSHURKDTPJ-LSDHHAIUSA-N 1 0 366.849 2.793 20 5 FFBDRO CC[NH2+]CC1CCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000843352521 747815473 /nfs/dbraw/zinc/81/54/73/747815473.db2.gz LYVOZIMZLWGYHF-UHFFFAOYSA-N 1 0 354.838 2.508 20 5 FFBDRO CC(C)[C@@H]([NH3+])CCN(C)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000843354611 747815873 /nfs/dbraw/zinc/81/58/73/747815873.db2.gz LRHARLGTCZZHLT-FZMZJTMJSA-N 1 0 356.854 2.880 20 5 FFBDRO CC(C)[C@H]1CN([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC[NH2+]1 ZINC000843376626 747820650 /nfs/dbraw/zinc/82/06/50/747820650.db2.gz LTJTVTIRJDRSIL-XHDPSFHLSA-N 1 0 354.838 2.505 20 5 FFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)Nc2cnn(C3CC[NH2+]CC3)c2)c1 ZINC000843457699 747839368 /nfs/dbraw/zinc/83/93/68/747839368.db2.gz HKRNTFWHSZKIKA-UHFFFAOYSA-N 1 0 361.427 2.690 20 5 FFBDRO CCCN(CCC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000843863935 747914877 /nfs/dbraw/zinc/91/48/77/747914877.db2.gz UFYIFTOFQLKONT-UHFFFAOYSA-N 1 0 352.391 2.615 20 5 FFBDRO C[C@H]1CCCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1CC[NH3+] ZINC000846226685 748434204 /nfs/dbraw/zinc/43/42/04/748434204.db2.gz TWFARLKASMGXEZ-FZMZJTMJSA-N 1 0 354.838 2.636 20 5 FFBDRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000847256368 748663050 /nfs/dbraw/zinc/66/30/50/748663050.db2.gz PQAUIAJXFKYYSM-HUUCEWRRSA-N 1 0 353.369 2.820 20 5 FFBDRO CSC[C@H]1CCC[N@H+](CN2CC[C@@H](c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000848490626 748939713 /nfs/dbraw/zinc/93/97/13/748939713.db2.gz QAHFZGYLBWFKRG-YOEHRIQHSA-N 1 0 363.483 2.943 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC[S@@](=O)CC(F)(F)F ZINC000850494754 749374761 /nfs/dbraw/zinc/37/47/61/749374761.db2.gz RMSBAFBENAWORF-YGWIHHTISA-N 1 0 354.350 2.565 20 5 FFBDRO CC(C)C[NH2+]C1(CO)CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000852124530 749780742 /nfs/dbraw/zinc/78/07/42/749780742.db2.gz XDRSDWZZDZOEBD-UHFFFAOYSA-N 1 0 355.866 2.821 20 5 FFBDRO O=[N+]([O-])c1cccc(C[N@@H+]2C[C@@H]3C[C@H](O)CC[C@@H]3C2)c1Br ZINC000852346095 749840462 /nfs/dbraw/zinc/84/04/62/749840462.db2.gz WOGCRQKHRKFPOX-KGYLQXTDSA-N 1 0 355.232 2.950 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N2CCC[C@@]3(CC[N@@H+](C)C3)C2)c1F ZINC000854735302 750361157 /nfs/dbraw/zinc/36/11/57/750361157.db2.gz NARIDLIPUIBSHP-KRWDZBQOSA-N 1 0 353.369 2.739 20 5 FFBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)NCC[NH2+]C1CCCCCC1 ZINC000159679328 845687109 /nfs/dbraw/zinc/68/71/09/845687109.db2.gz XVWAKYGMXOWKFD-UHFFFAOYSA-N 1 0 353.394 2.541 20 5 FFBDRO O=[N+]([O-])c1cc2c(Cl)ncnc2cc1-n1ccnc1[C@H]1CCC[NH2+]C1 ZINC001167056773 959176930 /nfs/dbraw/zinc/17/69/30/959176930.db2.gz PJKJQARTCWONGT-JTQLQIEISA-N 1 0 358.789 2.844 20 5 FFBDRO C[NH2+]Cc1cn(-c2nc(NC(C)=O)nc(C)c2[N+](=O)[O-])c2ccc(C)cc12 ZINC001167123320 960193247 /nfs/dbraw/zinc/19/32/47/960193247.db2.gz XDGBWZJQZMEJGP-UHFFFAOYSA-N 1 0 368.397 2.623 20 5 FFBDRO C[C@](CO)([NH2+]Cc1ccc(-n2cccn2)cc1)c1cccc([N+](=O)[O-])c1 ZINC001175324266 1013444529 /nfs/dbraw/zinc/44/45/29/1013444529.db2.gz VLTMWZVYFVUASE-LJQANCHMSA-N 1 0 352.394 2.778 20 5 FFBDRO CC(C)c1ccccc1C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCC1 ZINC001482218573 964148264 /nfs/dbraw/zinc/14/82/64/964148264.db2.gz RFMQHVBIQFKIGT-QZTJIDSGSA-N 1 0 359.470 2.994 20 5 FFBDRO O=C(NCCC1CC[NH+](CC2CCCCCC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001270111506 964698962 /nfs/dbraw/zinc/69/89/62/964698962.db2.gz PBNZHSNJMNENFO-QZTJIDSGSA-N 1 0 351.491 2.840 20 5 FFBDRO CC[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@@H]1CCCOC1 ZINC001175661719 1013530584 /nfs/dbraw/zinc/53/05/84/1013530584.db2.gz RXINIYNPAHLXGE-HIFRSBDPSA-N 1 0 365.430 2.727 20 5 FFBDRO CC1CCN(C(=O)Nc2cc(N3CC[NH+](C)CC3)ccc2[N+](=O)[O-])CC1 ZINC000934047159 965543565 /nfs/dbraw/zinc/54/35/65/965543565.db2.gz HUZGAZRKGRWJCE-UHFFFAOYSA-N 1 0 361.446 2.610 20 5 FFBDRO O=[N+]([O-])c1ccc2nc(N3CC[NH+](CCc4ccncc4)CC3)sc2c1 ZINC000894838543 965856078 /nfs/dbraw/zinc/85/60/78/965856078.db2.gz BFFUDJZJAXSBIC-UHFFFAOYSA-N 1 0 369.450 2.964 20 5 FFBDRO C[NH+](C)C1CN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000134885172 965906878 /nfs/dbraw/zinc/90/68/78/965906878.db2.gz WHJFCAMNZZRYIC-UHFFFAOYSA-N 1 0 354.410 2.593 20 5 FFBDRO C[C@@H]([NH2+]CC(=O)NCCOc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC001176027848 1013614104 /nfs/dbraw/zinc/61/41/04/1013614104.db2.gz FBOHQUDXKOJMLJ-CYBMUJFWSA-N 1 0 361.373 2.580 20 5 FFBDRO Nc1ccc(C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000067361840 966094669 /nfs/dbraw/zinc/09/46/69/966094669.db2.gz BDSALKSXEKRCDI-INIZCTEOSA-N 1 0 368.437 2.819 20 5 FFBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[N@H+](C2CCCC2)[C@H](C)C1 ZINC001176154997 1013647840 /nfs/dbraw/zinc/64/78/40/1013647840.db2.gz TVZBNJJDKFURJY-CABCVRRESA-N 1 0 360.458 2.871 20 5 FFBDRO O=C1C[C@@H](Oc2ccc([N+](=O)[O-])cc2)N1CN1CC[C@H](CC(F)(F)F)C1 ZINC000840058496 969053927 /nfs/dbraw/zinc/05/39/27/969053927.db2.gz SSWISPDQHPPVEC-IAQYHMDHSA-N 1 0 373.331 2.764 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(Br)c(O[C@H]2CCNCC2(F)F)c1 ZINC001218013088 969337392 /nfs/dbraw/zinc/33/73/92/969337392.db2.gz YFWGTRKULZBDLL-VIFPVBQESA-N 1 0 355.110 2.872 20 5 FFBDRO O=[N+]([O-])c1cc(O[C@H]2C[C@H]3C[NH2+]C[C@H]3C2)ccc1I ZINC001218136175 969479636 /nfs/dbraw/zinc/47/96/36/969479636.db2.gz LHUHDPDGKPSVDP-DOFRTFSJSA-N 1 0 374.178 2.576 20 5 FFBDRO C[C@@H]1[NH2+]C[C@@H]1Oc1c(Br)cc(Br)cc1[N+](=O)[O-] ZINC001218385337 969898138 /nfs/dbraw/zinc/89/81/38/969898138.db2.gz LGVCJOROURHZEO-CDUCUWFYSA-N 1 0 366.009 2.859 20 5 FFBDRO C[N@H+](CC1CCCCC1)CN1C(=O)N[C@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000027080423 973030336 /nfs/dbraw/zinc/03/03/36/973030336.db2.gz JUMLELABIMBQGA-LJQANCHMSA-N 1 0 374.441 2.831 20 5 FFBDRO C[C@H](CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)c1ccccc1[N+](=O)[O-] ZINC000897060943 973204542 /nfs/dbraw/zinc/20/45/42/973204542.db2.gz DOSMQOGNWVHTEB-HLLBOEOZSA-N 1 0 360.458 2.824 20 5 FFBDRO CCOC(=O)Cc1ccc(N2CC[C@@H](C)[C@H](n3ccnc3)C2)c([N+](=O)[O-])c1 ZINC000825832342 1014095309 /nfs/dbraw/zinc/09/53/09/1014095309.db2.gz ORJCXAYKSYHRCZ-RDTXWAMCSA-N 1 0 372.425 2.984 20 5 FFBDRO Cc1cc(C[NH+](C)C)ccc1NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000909614784 974323061 /nfs/dbraw/zinc/32/30/61/974323061.db2.gz YEVICOMXHKMTGN-UHFFFAOYSA-N 1 0 371.393 2.988 20 5 FFBDRO CC[NH+]1CCN(c2cc(N(C)C(=O)c3occc3C)cc([N+](=O)[O-])c2)CC1 ZINC000876231658 1014190335 /nfs/dbraw/zinc/19/03/35/1014190335.db2.gz ZUOMVCTUVFTHFR-UHFFFAOYSA-N 1 0 372.425 2.915 20 5 FFBDRO COc1ccc([C@H](O)C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000125516787 974654271 /nfs/dbraw/zinc/65/42/71/974654271.db2.gz YEFXSKLXYSMACW-HXUWFJFHSA-N 1 0 371.437 2.895 20 5 FFBDRO Cc1c(C(=O)NCc2cccc(C[NH+](C)C)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000128231071 976254803 /nfs/dbraw/zinc/25/48/03/976254803.db2.gz UAPNTRYSUWXMRD-UHFFFAOYSA-N 1 0 372.381 2.803 20 5 FFBDRO O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CC([NH+]2CCCC2)C1 ZINC000898616300 976566479 /nfs/dbraw/zinc/56/64/79/976566479.db2.gz KNKNRDZYIZLGAB-UHFFFAOYSA-N 1 0 358.442 2.505 20 5 FFBDRO CN1Cc2ccccc2[C@@H]1CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC001152052738 1032090993 /nfs/dbraw/zinc/09/09/93/1032090993.db2.gz IGGQYOHXPDHWHK-SFHVURJKSA-N 1 0 350.378 2.993 20 5 FFBDRO O=C([C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)N1CCCN(c2cc[nH+]cc2)CC1 ZINC000899174989 976993564 /nfs/dbraw/zinc/99/35/64/976993564.db2.gz OMAGNGHQIUUCSC-MOPGFXCFSA-N 1 0 366.421 2.832 20 5 FFBDRO CC1CCN(c2ccc(C[NH2+]C3CC(n4cc([N+](=O)[O-])cn4)C3)cn2)CC1 ZINC000876939098 1014425377 /nfs/dbraw/zinc/42/53/77/1014425377.db2.gz GBFRAVOCSDQZBC-UHFFFAOYSA-N 1 0 370.457 2.916 20 5 FFBDRO C[C@H](C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)N1CCc2ccccc2C1 ZINC000876993188 1014443285 /nfs/dbraw/zinc/44/32/85/1014443285.db2.gz XRJCMOLIQOYGPJ-RWBZWWBESA-N 1 0 355.442 2.531 20 5 FFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@](O)(c3ccccc3)C(F)(F)F)C2)c1 ZINC000877006496 1014447107 /nfs/dbraw/zinc/44/71/07/1014447107.db2.gz KXDOSMHKNMYAJY-PIMMBPRGSA-N 1 0 370.331 2.535 20 5 FFBDRO Cc1ccc(N2CCC[C@@H]([NH2+]C3CC(n4cc([N+](=O)[O-])cn4)C3)C2=O)cc1 ZINC000877064444 1014466046 /nfs/dbraw/zinc/46/60/46/1014466046.db2.gz QVXOYGQYQWMNNI-JFUPDXTOSA-N 1 0 369.425 2.588 20 5 FFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@H](CO)c3ccc(C(F)(F)F)cc3)C2)c1 ZINC000877125673 1014480362 /nfs/dbraw/zinc/48/03/62/1014480362.db2.gz SDZNHULFJLYOSY-SSDMNJCBSA-N 1 0 370.331 2.837 20 5 FFBDRO COCCC1(NC(=O)c2cc([N+](=O)[O-])cc3ccccc32)CC[NH2+]CC1 ZINC000877268642 1014531974 /nfs/dbraw/zinc/53/19/74/1014531974.db2.gz NESRHJJFDLBABL-UHFFFAOYSA-N 1 0 357.410 2.637 20 5 FFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]Cc3c(F)cccc3-n3cccn3)C2)c1 ZINC000877574049 1014631326 /nfs/dbraw/zinc/63/13/26/1014631326.db2.gz XWMOLGOTDMOLQO-UHFFFAOYSA-N 1 0 356.361 2.609 20 5 FFBDRO Cc1nccn1-c1cc[nH+]cc1NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC001116065252 1032101439 /nfs/dbraw/zinc/10/14/39/1032101439.db2.gz NHVPBLZLJAFQEQ-UHFFFAOYSA-N 1 0 371.328 2.641 20 5 FFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC([NH+]2CCN(C)CC2)CC1 ZINC000877746860 1014706846 /nfs/dbraw/zinc/70/68/46/1014706846.db2.gz ZTBPLJVNWHEHRN-SAPNQHFASA-N 1 0 358.486 2.710 20 5 FFBDRO CCC[N@H+](CC)C[C@@H](C)NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C ZINC001212026042 981461135 /nfs/dbraw/zinc/46/11/35/981461135.db2.gz RSRZLTUMRYXGJK-CYBMUJFWSA-N 1 0 357.476 2.610 20 5 FFBDRO COc1cccc(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000192456043 981874227 /nfs/dbraw/zinc/87/42/27/981874227.db2.gz RUOFDIPAJMNZLD-INIZCTEOSA-N 1 0 357.410 2.945 20 5 FFBDRO C[N@@H+]1CCCC12CCN(Cc1nnc(-c3ccccc3[N+](=O)[O-])o1)CC2 ZINC000878339455 1014992730 /nfs/dbraw/zinc/99/27/30/1014992730.db2.gz MHKUNTARJYDGOA-UHFFFAOYSA-N 1 0 357.414 2.705 20 5 FFBDRO COc1ccc(CC(=O)N2CCCC[C@H]2[C@@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000912811626 984122781 /nfs/dbraw/zinc/12/27/81/984122781.db2.gz LYAXGZHFORWDMU-HOCLYGCPSA-N 1 0 363.458 2.725 20 5 FFBDRO C[NH+]1C[C@]2(C)CN(C(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)C[C@@]2(C)C1 ZINC000913280799 984225654 /nfs/dbraw/zinc/22/56/54/984225654.db2.gz GSCXOOSSFQGTMV-IAGOWNOFSA-N 1 0 369.368 2.610 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ncn(CN3CC[NH+](C4CCCCC4)CC3)n2)cc1 ZINC000165226217 984442004 /nfs/dbraw/zinc/44/20/04/984442004.db2.gz OEEUBPHWIQOSGK-UHFFFAOYSA-N 1 0 370.457 2.761 20 5 FFBDRO C[C@@H]1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000173508324 985854489 /nfs/dbraw/zinc/85/44/89/985854489.db2.gz QMFHOEOBXJYGCZ-OAHLLOKOSA-N 1 0 368.437 2.914 20 5 FFBDRO COc1ccc(C[C@@H](C)[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000765849390 986737075 /nfs/dbraw/zinc/73/70/75/986737075.db2.gz PZFQJGHSXPJKNP-DYVFJYSZSA-N 1 0 360.410 2.866 20 5 FFBDRO C[N@@H+](Cc1ccccc1)C[C@@H](O)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000152219150 987087183 /nfs/dbraw/zinc/08/71/83/987087183.db2.gz LJENJKSGYCDLLE-HXUWFJFHSA-N 1 0 366.421 2.951 20 5 FFBDRO CCc1cc(N2CC[N@@H+]3CCC[C@@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000193518071 988524868 /nfs/dbraw/zinc/52/48/68/988524868.db2.gz IRLKCWWUHCQBMB-QGZVFWFLSA-N 1 0 353.426 2.899 20 5 FFBDRO Cc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])CC[C@@H]3C2)cc1C ZINC000946589332 988765922 /nfs/dbraw/zinc/76/59/22/988765922.db2.gz SQXVVFUCHRUTHQ-IYWMVGAKSA-N 1 0 371.481 2.639 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC2(CC1)CC[NH+](C)CC2 ZINC000879249262 1015438708 /nfs/dbraw/zinc/43/87/08/1015438708.db2.gz KFSZMJPMCBJBJB-UHFFFAOYSA-N 1 0 360.458 2.650 20 5 FFBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)CC1 ZINC000153891055 989759487 /nfs/dbraw/zinc/75/94/87/989759487.db2.gz WNXFVUNGRXXMHZ-GASCZTMLSA-N 1 0 360.458 2.654 20 5 FFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N(CCc1ccccc1)CC[NH+](C)C ZINC000916384225 989783765 /nfs/dbraw/zinc/78/37/65/989783765.db2.gz XHYBKFIBVXIPQK-UHFFFAOYSA-N 1 0 356.426 2.545 20 5 FFBDRO Cc1cc(NC(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)ccc1[N+](=O)[O-] ZINC000917007720 990091641 /nfs/dbraw/zinc/09/16/41/990091641.db2.gz AUXNXKOFWSIBSS-MRXNPFEDSA-N 1 0 362.430 2.668 20 5 FFBDRO COc1cccc(C[NH+]2CCC(NC(=O)c3ccc([N+](=O)[O-])o3)CC2)c1 ZINC000918652693 990456261 /nfs/dbraw/zinc/45/62/61/990456261.db2.gz DZODADYVRCZQMI-UHFFFAOYSA-N 1 0 359.382 2.591 20 5 FFBDRO CN(CC[N@H+](C)C1CCCCC1)C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000920455890 990852206 /nfs/dbraw/zinc/85/22/06/990852206.db2.gz GBTFTLIQIADFOD-UHFFFAOYSA-N 1 0 373.457 2.667 20 5 FFBDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000923272358 991007840 /nfs/dbraw/zinc/00/78/40/991007840.db2.gz HKPIACQFMIRSFB-JKSUJKDBSA-N 1 0 361.445 2.990 20 5 FFBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@H](Cc1cccnc1)C1CCCC1 ZINC000879674283 1015632645 /nfs/dbraw/zinc/63/26/45/1015632645.db2.gz DZUXODMAYVIYKT-GOSISDBHSA-N 1 0 356.426 2.543 20 5 FFBDRO CCCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000068964563 991554373 /nfs/dbraw/zinc/55/43/73/991554373.db2.gz PBCIAAFSNOMPBT-CABCVRRESA-N 1 0 373.457 2.919 20 5 FFBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CN1CC[NH+](CC2CCCCC2)CC1 ZINC000128053141 1015694902 /nfs/dbraw/zinc/69/49/02/1015694902.db2.gz PYGYKXSOPKDIJU-UHFFFAOYSA-N 1 0 374.441 2.658 20 5 FFBDRO C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000880079993 1015749451 /nfs/dbraw/zinc/74/94/51/1015749451.db2.gz MPQUZSPORCECNF-MSOLQXFVSA-N 1 0 371.393 2.585 20 5 FFBDRO CCC1([NH+]2CCCCC2)CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000880255607 1015790700 /nfs/dbraw/zinc/79/07/00/1015790700.db2.gz RKQLXSITFARTMD-UHFFFAOYSA-N 1 0 374.485 2.924 20 5 FFBDRO CCOc1cc(C[NH2+][C@]2(CO)CCc3c2cccc3OC)ccc1[N+](=O)[O-] ZINC000880384570 1015822855 /nfs/dbraw/zinc/82/28/55/1015822855.db2.gz SCWWOSWUKSOOFB-FQEVSTJZSA-N 1 0 372.421 2.926 20 5 FFBDRO O=C(O[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000810844482 994950728 /nfs/dbraw/zinc/95/07/28/994950728.db2.gz NWXKAYNKIOHPBR-CVEARBPZSA-N 1 0 356.382 2.564 20 5 FFBDRO CC[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@H](C)[C@H](O)c1ccccc1 ZINC000812853528 995556391 /nfs/dbraw/zinc/55/63/91/995556391.db2.gz RMXSKMQXOFANBL-BPAFIMBUSA-N 1 0 374.437 2.779 20 5 FFBDRO CCOc1cc(NC(=O)NCC2CC[NH+](C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000888832099 1015957490 /nfs/dbraw/zinc/95/74/90/1015957490.db2.gz TUQCSCTZWNKHAY-UHFFFAOYSA-N 1 0 362.430 2.989 20 5 FFBDRO CC[NH+](CC)CC(C)(C)COC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000813152407 995627616 /nfs/dbraw/zinc/62/76/16/995627616.db2.gz GWOYJVWLTNHHHY-UHFFFAOYSA-N 1 0 366.414 2.891 20 5 FFBDRO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)c1cc([N+](=O)[O-])cn1C ZINC000824415871 996947488 /nfs/dbraw/zinc/94/74/88/996947488.db2.gz KUCZCSNEEFIHMB-WBVHZDCISA-N 1 0 354.410 2.690 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@H](O)Cc3cccc(F)c3)CC2)cc1 ZINC000824501402 996979841 /nfs/dbraw/zinc/97/98/41/996979841.db2.gz JXMVAUPFXBCQJI-HXUWFJFHSA-N 1 0 373.428 2.896 20 5 FFBDRO CN(C)c1cc(F)c(C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000825504236 997404648 /nfs/dbraw/zinc/40/46/48/997404648.db2.gz UPKITQGRXHDDFI-CYBMUJFWSA-N 1 0 364.421 2.500 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCc2ccc3c(c2)OC(F)(F)O3)cc1 ZINC000844280054 997761645 /nfs/dbraw/zinc/76/16/45/997761645.db2.gz UBAKVWZODRSETC-CQSZACIVSA-N 1 0 366.320 2.782 20 5 FFBDRO COC(=O)[C@@H]1C[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H]1c1ccccc1 ZINC000844428545 997899671 /nfs/dbraw/zinc/89/96/71/997899671.db2.gz WZJYWPXXVDUSKW-IPMKNSEASA-N 1 0 370.405 2.517 20 5 FFBDRO CN1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])[C@H](Cc2ccccc2)C1 ZINC000844925468 998232879 /nfs/dbraw/zinc/23/28/79/998232879.db2.gz QDGFJDYQEFRXIX-MRXNPFEDSA-N 1 0 357.385 2.733 20 5 FFBDRO CN(C(=O)COc1ccc([N+](=O)[O-])cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000732006108 998392468 /nfs/dbraw/zinc/39/24/68/998392468.db2.gz SCOCOFYXUUPCKZ-UHFFFAOYSA-N 1 0 373.409 2.577 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@H]1COC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000845738310 998630209 /nfs/dbraw/zinc/63/02/09/998630209.db2.gz DYAFHDHSTCKROA-AWEZNQCLSA-N 1 0 358.398 2.810 20 5 FFBDRO Cc1c(CO)cc([N+](=O)[O-])c(NC[C@H](C)C[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000732567539 998704788 /nfs/dbraw/zinc/70/47/88/998704788.db2.gz BFDRRNCYPCHWKF-LBPRGKRZSA-N 1 0 366.418 2.838 20 5 FFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[NH2+]CCC12CCOCC2 ZINC000903817847 1016240755 /nfs/dbraw/zinc/24/07/55/1016240755.db2.gz MCLSRHAHKXTDIL-UHFFFAOYSA-N 1 0 363.458 2.727 20 5 FFBDRO Cc1c(C(=O)NC[C@H](CC(C)C)[NH+](C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000733973908 999162354 /nfs/dbraw/zinc/16/23/54/999162354.db2.gz YRPOXFOYSIKYHQ-ZDUSSCGKSA-N 1 0 366.418 2.826 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2cnn(CN3CCC[C@H]3C[NH+]3CCCC3)c2)cc1 ZINC000738106205 999617918 /nfs/dbraw/zinc/61/79/18/999617918.db2.gz WKWKNPJXOCYODV-IBGZPJMESA-N 1 0 355.442 2.976 20 5 FFBDRO C[NH+](C)CCOc1ccccc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000737434899 999733791 /nfs/dbraw/zinc/73/37/91/999733791.db2.gz UJSGRIAQVKUIOL-UHFFFAOYSA-N 1 0 370.453 2.862 20 5 FFBDRO C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)cc2)CC1 ZINC001168981158 1000012399 /nfs/dbraw/zinc/01/23/99/1000012399.db2.gz GOCQDZWDYLVRQQ-OATWDJNDSA-N 1 0 374.485 2.687 20 5 FFBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C2(c3cccc(Br)c3)COC2)C1 ZINC001168970680 1000013575 /nfs/dbraw/zinc/01/35/75/1000013575.db2.gz IIHPWJRHNXHBBS-BXUZGUMPSA-N 1 0 355.232 2.710 20 5 FFBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C2CCN(Cc3cc(F)ccc3F)CC2)C1 ZINC001168993621 1000013963 /nfs/dbraw/zinc/01/39/63/1000013963.db2.gz NTYQKKUGVJNIEJ-DYVFJYSZSA-N 1 0 353.413 2.964 20 5 FFBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C2CCN(Cc3ccc(F)cc3F)CC2)C1 ZINC001168997323 1000014158 /nfs/dbraw/zinc/01/41/58/1000014158.db2.gz YSXDQVHOQPRCAA-DYVFJYSZSA-N 1 0 353.413 2.964 20 5 FFBDRO CC(C)(C)OC(=O)N1CCC2(C[NH+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)CC1 ZINC001169012979 1000015629 /nfs/dbraw/zinc/01/56/29/1000015629.db2.gz SQBXPBMPMZSDQO-HUUCEWRRSA-N 1 0 353.463 2.765 20 5 FFBDRO O=C1Nc2ccccc2CN1C1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169030072 1000016102 /nfs/dbraw/zinc/01/61/02/1000016102.db2.gz VXIJELOZYHVDOJ-YOEHRIQHSA-N 1 0 358.442 2.944 20 5 FFBDRO O=C1Nc2ccccc2CN1C1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169030071 1000016248 /nfs/dbraw/zinc/01/62/48/1000016248.db2.gz VXIJELOZYHVDOJ-WMLDXEAASA-N 1 0 358.442 2.944 20 5 FFBDRO CCOC[C@@H]1C[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)Cc2cnn(CC3CC3)c21 ZINC001169018261 1000017288 /nfs/dbraw/zinc/01/72/88/1000017288.db2.gz AJHDBIKSNIBXSZ-NJAFHUGGSA-N 1 0 362.474 2.674 20 5 FFBDRO CC(=O)N1CC[C@]2(c3ccccc3)CC[N@@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@@H]12 ZINC001169024885 1000018106 /nfs/dbraw/zinc/01/81/06/1000018106.db2.gz RZHPPLDTBKZRMH-KCLUMXDGSA-N 1 0 371.481 2.696 20 5 FFBDRO CN1C[C@H](c2ccccc2)C2(CC[NH+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)C1=O ZINC001169026922 1000018150 /nfs/dbraw/zinc/01/81/50/1000018150.db2.gz YZPBMEXMAXMTAG-QXAKKESOSA-N 1 0 371.481 2.770 20 5 FFBDRO O=C(NCC1CC1)[C@@H]1CCC2(C1)CC[NH+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169026345 1000018242 /nfs/dbraw/zinc/01/82/42/1000018242.db2.gz LETKFEDIAGLSLZ-KZNAEPCWSA-N 1 0 363.502 2.840 20 5 FFBDRO C[NH+](C)CCOc1cc(NC[C@@H](CO)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC001169903774 1000084962 /nfs/dbraw/zinc/08/49/62/1000084962.db2.gz LCSUJRZMHKFURV-KRWDZBQOSA-N 1 0 373.453 2.798 20 5 FFBDRO Cc1nn(C[NH+]2CCC(Cc3cccnc3)CC2)c2ncc([N+](=O)[O-])cc12 ZINC000770669528 1000872134 /nfs/dbraw/zinc/87/21/34/1000872134.db2.gz RWWGUPYPKSOMQN-UHFFFAOYSA-N 1 0 366.425 2.955 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2noc([C@]3(O)CC[N@H+](Cc4ccccc4)C3)n2)s1 ZINC000771223083 1001055303 /nfs/dbraw/zinc/05/53/03/1001055303.db2.gz CCMVEOMNQWCRLV-KRWDZBQOSA-N 1 0 372.406 2.800 20 5 FFBDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000746565091 1001502501 /nfs/dbraw/zinc/50/25/01/1001502501.db2.gz BKAPRMBPQZHARP-IEODJVTJSA-N 1 0 361.442 2.567 20 5 FFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccc(-n2cncn2)nc1 ZINC000786810312 1001630699 /nfs/dbraw/zinc/63/06/99/1001630699.db2.gz VGAXJYNYCYLHME-VGOFMYFVSA-N 1 0 350.382 2.764 20 5 FFBDRO Cc1cc(F)ccc1[C@H](O)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000746669446 1001681965 /nfs/dbraw/zinc/68/19/65/1001681965.db2.gz CLPAQVNUVQOFET-WMLDXEAASA-N 1 0 360.389 2.657 20 5 FFBDRO CCC(CC)[C@@H](C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)N1CCOCC1 ZINC000788506243 1001813915 /nfs/dbraw/zinc/81/39/15/1001813915.db2.gz KDFREEYLUXMIDG-IFXJQAMLSA-N 1 0 364.490 2.965 20 5 FFBDRO [NH2+]=C(COc1ccccc1F)NOCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000789591975 1002133564 /nfs/dbraw/zinc/13/35/64/1002133564.db2.gz PDOJNRGCTMNMNQ-UHFFFAOYSA-N 1 0 364.289 2.720 20 5 FFBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000791315587 1002664888 /nfs/dbraw/zinc/66/48/88/1002664888.db2.gz DFGZDSVMDNSCQG-QGZVFWFLSA-N 1 0 372.400 2.883 20 5 FFBDRO C[N@@H+]1CCC[C@H]2CN(c3c4cc([N+](=O)[O-])ccc4ncc3[N+](=O)[O-])CC[C@H]21 ZINC001185701244 1003026606 /nfs/dbraw/zinc/02/66/06/1003026606.db2.gz FTCIVELAEORKBH-BLLLJJGKSA-N 1 0 371.397 2.972 20 5 FFBDRO COc1ccc(C[C@H](C)[NH2+]Cc2nnc3c(C)cccn23)c([N+](=O)[O-])c1 ZINC001170298166 1003091391 /nfs/dbraw/zinc/09/13/91/1003091391.db2.gz HCWOBHPRHRRQON-ZDUSSCGKSA-N 1 0 355.398 2.675 20 5 FFBDRO COc1cccc(C[C@H](CO)[NH2+][C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])c1 ZINC001170304286 1003093302 /nfs/dbraw/zinc/09/33/02/1003093302.db2.gz AYBXRZLHBMNCEY-WMLDXEAASA-N 1 0 374.437 2.736 20 5 FFBDRO COC(=O)C[C@@H]([NH2+][C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])c1cccnc1 ZINC001170313301 1003103924 /nfs/dbraw/zinc/10/39/24/1003103924.db2.gz KUPLQDBCZBDXTQ-CXAGYDPISA-N 1 0 373.409 2.823 20 5 FFBDRO COC(=O)[C@H]1CCCC[C@@H]1[NH2+][C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170329279 1003114187 /nfs/dbraw/zinc/11/41/87/1003114187.db2.gz YZBOPZMIKZHEHK-KCXAZCMYSA-N 1 0 350.415 2.856 20 5 FFBDRO COc1ccc(C[C@@H](C)[NH+]2CCC(c3nncn3C)CC2)c([N+](=O)[O-])c1 ZINC001170352669 1003121182 /nfs/dbraw/zinc/12/11/82/1003121182.db2.gz PTOLAMPKBXTSHC-CYBMUJFWSA-N 1 0 359.430 2.543 20 5 FFBDRO COc1ccc(C[C@H](C)[N@@H+]2CCC[C@H](Oc3ncccn3)C2)c([N+](=O)[O-])c1 ZINC001170354851 1003123072 /nfs/dbraw/zinc/12/30/72/1003123072.db2.gz QGXXZYUAXYJQSO-YOEHRIQHSA-N 1 0 372.425 2.868 20 5 FFBDRO COC[C@H]1C[N@@H+]([C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])Cc2cn(C)nc21 ZINC001170341347 1003130524 /nfs/dbraw/zinc/13/05/24/1003130524.db2.gz PIXPYBFEHIAACG-XJKSGUPXSA-N 1 0 374.441 2.514 20 5 FFBDRO COc1c(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)cccc1[N+](=O)[O-] ZINC000792836051 1003200332 /nfs/dbraw/zinc/20/03/32/1003200332.db2.gz QTJOILXCRZAQEF-UHFFFAOYSA-N 1 0 370.409 2.608 20 5 FFBDRO COc1cc(C[N@@H+]2CC[C@H](Nc3ccc(N)cc3[N+](=O)[O-])C2)cc(OC)c1 ZINC000804542133 1003723936 /nfs/dbraw/zinc/72/39/36/1003723936.db2.gz JRYYVZGOWQODPV-HNNXBMFYSA-N 1 0 372.425 2.881 20 5 FFBDRO COc1cc(C[N@@H+]2CC[C@@H](Nc3ccc(N)cc3[N+](=O)[O-])C2)cc(OC)c1 ZINC000804542136 1003724482 /nfs/dbraw/zinc/72/44/82/1003724482.db2.gz JRYYVZGOWQODPV-OAHLLOKOSA-N 1 0 372.425 2.881 20 5 FFBDRO O=C(NCc1ccc(C[NH2+]CC2=CCCCC2)cc1F)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001001525737 1016829167 /nfs/dbraw/zinc/82/91/67/1016829167.db2.gz YVIGQARVJPUUQE-SJLPKXTDSA-N 1 0 361.417 2.697 20 5 FFBDRO O=[N+]([O-])c1ccccc1-c1nnc(C[NH2+][C@@H]([C@@H](CO)C2CC2)C2CC2)o1 ZINC001170488943 1004141617 /nfs/dbraw/zinc/14/16/17/1004141617.db2.gz CMBVXPRJKDSYOF-WMLDXEAASA-N 1 0 358.398 2.532 20 5 FFBDRO C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(C[N@@H+]2CCC[C@@H]2C2CCC2)C1=O ZINC000102886121 1004209417 /nfs/dbraw/zinc/20/94/17/1004209417.db2.gz LHSOAHUWIQPKPZ-VQIMIIECSA-N 1 0 372.425 2.584 20 5 FFBDRO COC(=O)c1ccccc1CC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000775559005 1004343300 /nfs/dbraw/zinc/34/33/00/1004343300.db2.gz SZSZCYHUHIOOHR-UHFFFAOYSA-N 1 0 369.421 2.746 20 5 FFBDRO CCC(CC)C(=O)N1CCC([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776277934 1005343085 /nfs/dbraw/zinc/34/30/85/1005343085.db2.gz QXKOQANGGJHLMH-SFHVURJKSA-N 1 0 363.458 2.645 20 5 FFBDRO COC[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CCOCC1 ZINC000850492600 1005818433 /nfs/dbraw/zinc/81/84/33/1005818433.db2.gz PVSOZPHIKHXCJD-IBGZPJMESA-N 1 0 363.458 2.595 20 5 FFBDRO O=C(COc1ccccc1[N+](=O)[O-])OC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000851464967 1005888650 /nfs/dbraw/zinc/88/86/50/1005888650.db2.gz AOYKIGVWGLWPTL-INIZCTEOSA-N 1 0 356.378 2.791 20 5 FFBDRO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776580727 1005960822 /nfs/dbraw/zinc/96/08/22/1005960822.db2.gz ZHVKUBLQBCEJRC-KYJSFNMBSA-N 1 0 363.458 2.645 20 5 FFBDRO CCc1ccc(C(=O)N2CCN(c3cc[nH+]cc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC001133954620 1006058925 /nfs/dbraw/zinc/05/89/25/1006058925.db2.gz HEHWUNARPPPPTD-CQSZACIVSA-N 1 0 354.410 2.903 20 5 FFBDRO C[N@H+](Cc1cn(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)nn1)C1CCCCC1 ZINC000881399064 1006081714 /nfs/dbraw/zinc/08/17/14/1006081714.db2.gz VUPOLTIYCPVTIF-GOSISDBHSA-N 1 0 359.430 2.684 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CC[NH2+][C@@H](c3ccc(O)cc3)C2)c2ccncc21 ZINC001187497152 1006117867 /nfs/dbraw/zinc/11/78/67/1006117867.db2.gz MDARDEOBIWUBCE-QGZVFWFLSA-N 1 0 350.378 3.000 20 5 FFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CC[NH+](Cc1cc3ccccc3o1)CC2 ZINC001050517375 1017034994 /nfs/dbraw/zinc/03/49/94/1017034994.db2.gz QQQYCVQBWKCTLS-IAGOWNOFSA-N 1 0 369.421 2.522 20 5 FFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CC[NH+](CC1CCC3(CC3)CC1)CC2 ZINC001050516759 1017035850 /nfs/dbraw/zinc/03/58/50/1017035850.db2.gz IWNIXTIFUHAQCW-IAGOWNOFSA-N 1 0 361.486 2.546 20 5 FFBDRO CC(C)(C)OC(=O)[C@@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000853133313 1006307827 /nfs/dbraw/zinc/30/78/27/1006307827.db2.gz JETNSQSEMMCIAZ-IRXDYDNUSA-N 1 0 364.442 2.976 20 5 FFBDRO O=[N+]([O-])c1cn(CN2CCC([NH+]3CCCCC3)CC2)nc1-c1ccccn1 ZINC000853492647 1006410709 /nfs/dbraw/zinc/41/07/09/1006410709.db2.gz XDFVRGZSPPUGAO-UHFFFAOYSA-N 1 0 370.457 2.761 20 5 FFBDRO C[C@@]12C[N@H+](Cn3cc([N+](=O)[O-])c(-c4ccccn4)n3)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000853516007 1006423110 /nfs/dbraw/zinc/42/31/10/1006423110.db2.gz IJBQGRQAYSLGJS-GJRWTSMGSA-N 1 0 351.410 2.955 20 5 FFBDRO O=[N+]([O-])c1cn(C[N@@H+]2CCC[C@H]2[C@H]2CCCOC2)nc1-c1ccccn1 ZINC000853517710 1006423311 /nfs/dbraw/zinc/42/33/11/1006423311.db2.gz BUMWRRKLBAJKBQ-HOCLYGCPSA-N 1 0 357.414 2.702 20 5 FFBDRO CC(C)C[N@@H+]1CCO[C@@H](COC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc32)C1 ZINC000805570449 1006485167 /nfs/dbraw/zinc/48/51/67/1006485167.db2.gz YROGLGWUAUTDOP-CQSZACIVSA-N 1 0 361.398 2.590 20 5 FFBDRO COc1ccc(C[N@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1F ZINC000026713357 1006635769 /nfs/dbraw/zinc/63/57/69/1006635769.db2.gz YGUBGBKRMTTYDO-HNNXBMFYSA-N 1 0 364.373 2.614 20 5 FFBDRO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC([N@H+]2CCOC[C@H]2C)CC1 ZINC000854570239 1006895188 /nfs/dbraw/zinc/89/51/88/1006895188.db2.gz NTYOQVBTRSYOHI-UGEDRFTOSA-N 1 0 373.453 2.710 20 5 FFBDRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)C2 ZINC000854736790 1006966101 /nfs/dbraw/zinc/96/61/01/1006966101.db2.gz JJITULUGDNKBCD-FQEVSTJZSA-N 1 0 372.469 2.753 20 5 FFBDRO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001116196351 1032185698 /nfs/dbraw/zinc/18/56/98/1032185698.db2.gz YOSDNUZRUSPBPN-UHFFFAOYSA-N 1 0 350.338 2.723 20 5 FFBDRO Cc1c([N+](=O)[O-])cc(C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000855162455 1007141696 /nfs/dbraw/zinc/14/16/96/1007141696.db2.gz JZVAYZKYUXPPAA-GFCCVEGCSA-N 1 0 364.402 2.662 20 5 FFBDRO C[C@H](NC(=O)[C@H]([NH3+])Cc1c[nH]c2ccccc12)c1cccc([N+](=O)[O-])c1 ZINC000884077958 1007221420 /nfs/dbraw/zinc/22/14/20/1007221420.db2.gz CEPADDMLSTUZKZ-YVEFUNNKSA-N 1 0 352.394 2.823 20 5 FFBDRO CCOC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000776810127 1007310745 /nfs/dbraw/zinc/31/07/45/1007310745.db2.gz WPSYDNLXOVVPNL-UKRRQHHQSA-N 1 0 365.430 2.950 20 5 FFBDRO C[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1ccc2c(c1)CC(=O)N2C ZINC000775352507 1007470840 /nfs/dbraw/zinc/47/08/40/1007470840.db2.gz QAZXCUBDWZUSKH-CYBMUJFWSA-N 1 0 355.394 2.843 20 5 FFBDRO C[C@@H]1C[C@H](C(=O)OC(C)(C)C)C[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000817288912 1007510250 /nfs/dbraw/zinc/51/02/50/1007510250.db2.gz OWMMJTVIQKUWMJ-KMFMINBZSA-N 1 0 364.442 2.928 20 5 FFBDRO C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000855735355 1007531709 /nfs/dbraw/zinc/53/17/09/1007531709.db2.gz SACJVNILNLWOGC-KRWDZBQOSA-N 1 0 368.437 2.566 20 5 FFBDRO CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000776830040 1007543682 /nfs/dbraw/zinc/54/36/82/1007543682.db2.gz YUOJRYSVDVBFOB-HIFRSBDPSA-N 1 0 365.430 2.950 20 5 FFBDRO CCOc1cc(C[NH+]2CCC([C@@H](O)c3ccnn3C)CC2)ccc1[N+](=O)[O-] ZINC000856796449 1007978285 /nfs/dbraw/zinc/97/82/85/1007978285.db2.gz QMAWKQRBWLFOAT-LJQANCHMSA-N 1 0 374.441 2.673 20 5 FFBDRO CC(C)Oc1cccc(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000818965210 1007981652 /nfs/dbraw/zinc/98/16/52/1007981652.db2.gz QQVZNIVCZAXMQI-MRXNPFEDSA-N 1 0 360.410 2.912 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@@H]2CCN(c3ccc(F)cc3)C2)cc1 ZINC000818973988 1008014287 /nfs/dbraw/zinc/01/42/87/1008014287.db2.gz AVHAZXUOZXUFFM-LIRRHRJNSA-N 1 0 359.401 2.883 20 5 FFBDRO O=C(CCC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)N1Cc2ccccc2C1 ZINC000819056098 1008021284 /nfs/dbraw/zinc/02/12/84/1008021284.db2.gz YXEQJQGFNXVUQZ-IBGZPJMESA-N 1 0 369.421 2.540 20 5 FFBDRO COc1ccc2[nH]cc(CC[NH2+]C[C@@H](O)c3cccc([N+](=O)[O-])c3)c2c1 ZINC000819061970 1008021889 /nfs/dbraw/zinc/02/18/89/1008021889.db2.gz YRWYREUHPFWXRN-LJQANCHMSA-N 1 0 355.394 2.950 20 5 FFBDRO CN(C)[C@H](C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1c(F)cccc1F ZINC000819074646 1008037355 /nfs/dbraw/zinc/03/73/55/1008037355.db2.gz XVLSKOSVQICQBS-SJORKVTESA-N 1 0 365.380 2.799 20 5 FFBDRO Cc1ccc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)c(O[C@@H]2CCOC2)c1 ZINC000819153522 1008045048 /nfs/dbraw/zinc/04/50/48/1008045048.db2.gz HCRUHTNUSTXBAB-MOPGFXCFSA-N 1 0 372.421 2.894 20 5 FFBDRO CC(C)(C)OC(=O)N[C@@H](C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000819198285 1008065333 /nfs/dbraw/zinc/06/53/33/1008065333.db2.gz QMFZVIHRAMNGIT-JKSUJKDBSA-N 1 0 365.430 2.521 20 5 FFBDRO O=C1[C@@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCCN1C1CCCCC1 ZINC000819253530 1008070839 /nfs/dbraw/zinc/07/08/39/1008070839.db2.gz GNJAKCKZQWNLFQ-ZWKOTPCHSA-N 1 0 361.442 2.542 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)CNc2cccc(C[NH+]3CCC(O)CC3)c2)cc1 ZINC000819446057 1008134771 /nfs/dbraw/zinc/13/47/71/1008134771.db2.gz YLOXVUMKCYINGA-FQEVSTJZSA-N 1 0 371.437 2.697 20 5 FFBDRO Cc1ccc(NC[C@H](O)c2ccc([N+](=O)[O-])cc2)c(OCC[NH+](C)C)c1 ZINC000819445718 1008135131 /nfs/dbraw/zinc/13/51/31/1008135131.db2.gz TYGCYVBQQQIGMN-SFHVURJKSA-N 1 0 359.426 2.989 20 5 FFBDRO Nc1ccc(NC(=O)[C@H](c2ccccc2)N2CCSCC2)cc1[N+](=O)[O-] ZINC000819916181 1008249746 /nfs/dbraw/zinc/24/97/46/1008249746.db2.gz ITGNGVLVVDRRPX-KRWDZBQOSA-N 1 0 372.450 2.906 20 5 FFBDRO COc1ccc(OCC[N@@H+]2CC[C@@H](Oc3ccc(C)cn3)C2)c([N+](=O)[O-])c1 ZINC000858036586 1008285605 /nfs/dbraw/zinc/28/56/05/1008285605.db2.gz PAIBJSCZWZGLOO-MRXNPFEDSA-N 1 0 373.409 2.839 20 5 FFBDRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000820503045 1008346051 /nfs/dbraw/zinc/34/60/51/1008346051.db2.gz DSNZHGDAKISEPW-WMLDXEAASA-N 1 0 360.458 2.750 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCCN(Cc3ccc(F)cc3)CC2)c1 ZINC000136897651 1008555370 /nfs/dbraw/zinc/55/53/70/1008555370.db2.gz IDYSAGGAMNNLCZ-HXUWFJFHSA-N 1 0 373.428 2.975 20 5 FFBDRO Cc1ccccc1[C@@H](CO)[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000886435999 1008682455 /nfs/dbraw/zinc/68/24/55/1008682455.db2.gz OFARSJZYPDNQIN-GOSISDBHSA-N 1 0 357.410 2.897 20 5 FFBDRO Nc1ccc(-c2noc(C3(c4ccccc4)CC[NH2+]CC3)n2)cc1[N+](=O)[O-] ZINC000822635350 1008726730 /nfs/dbraw/zinc/72/67/30/1008726730.db2.gz WZUHWPZYANIDSH-UHFFFAOYSA-N 1 0 365.393 2.897 20 5 FFBDRO O=[N+]([O-])c1ccccc1NCCc1noc([C@@H]2C[C@H]2C2CC[NH2+]CC2)n1 ZINC000822792026 1008765038 /nfs/dbraw/zinc/76/50/38/1008765038.db2.gz ZDPJYTUIWVTMRU-UONOGXRCSA-N 1 0 357.414 2.736 20 5 FFBDRO Cc1ccc(C[NH2+]Cc2cccc(C(=O)N3CCOCC3)c2)cc1[N+](=O)[O-] ZINC001178542902 1009029410 /nfs/dbraw/zinc/02/94/10/1009029410.db2.gz ULPVITMNHQZMIV-UHFFFAOYSA-N 1 0 369.421 2.665 20 5 FFBDRO Cc1c(C(=O)N(CC[NH+](C)C)CC(C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000826539310 1009052468 /nfs/dbraw/zinc/05/24/68/1009052468.db2.gz RFJZAQRFUCBENR-UHFFFAOYSA-N 1 0 366.418 2.780 20 5 FFBDRO CN(C)c1cc(F)c(C(=O)NCC2([NH+](C)C)CCCCC2)cc1[N+](=O)[O-] ZINC000823538677 1009102551 /nfs/dbraw/zinc/10/25/51/1009102551.db2.gz SJYPEFYKDNSTMU-UHFFFAOYSA-N 1 0 366.437 2.794 20 5 FFBDRO C[NH+]1CCC(CCNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000121723880 1009110996 /nfs/dbraw/zinc/11/09/96/1009110996.db2.gz YONDTFNAGHBBHD-UHFFFAOYSA-N 1 0 374.485 2.659 20 5 FFBDRO C[N@H+](CCCNC(=O)Nc1ccc(N)c([N+](=O)[O-])c1)Cc1ccccc1 ZINC000824009032 1009292777 /nfs/dbraw/zinc/29/27/77/1009292777.db2.gz ZVQCNCIGCLKCCW-UHFFFAOYSA-N 1 0 357.414 2.821 20 5 FFBDRO CC(C)(O)CN1CC[C@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC001179328019 1009319670 /nfs/dbraw/zinc/31/96/70/1009319670.db2.gz IJWYEXFRWNDZSY-HNNXBMFYSA-N 1 0 359.426 2.790 20 5 FFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)OC[C@@]1(C)C[C@@H](OC)C[N@@H+]1C ZINC000861348303 1009364240 /nfs/dbraw/zinc/36/42/40/1009364240.db2.gz NZBJXQKSXAWCAH-SZVBFZGTSA-N 1 0 364.442 2.816 20 5 FFBDRO CC(C)(C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1)Oc1ccccc1 ZINC001180123689 1009569762 /nfs/dbraw/zinc/56/97/62/1009569762.db2.gz CYTLGWYEBGBEAN-UHFFFAOYSA-N 1 0 356.426 2.969 20 5 FFBDRO C[C@H]1C[C@@H](N(C)C(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)CC[N@@H+]1C ZINC000889164064 1009845653 /nfs/dbraw/zinc/84/56/53/1009845653.db2.gz XFSDFHNIPOHGDK-JSGCOSHPSA-N 1 0 356.426 2.885 20 5 FFBDRO Cc1c(C(=O)NC[C@@H]2CCCC[N@@H+](C)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000862792772 1009978247 /nfs/dbraw/zinc/97/82/47/1009978247.db2.gz ZHDHGXIAEGMEQR-ZDUSSCGKSA-N 1 0 364.402 2.582 20 5 FFBDRO CC[C@@H](C)c1nnc([C@H](C)[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)[nH]1 ZINC001181426807 1010092921 /nfs/dbraw/zinc/09/29/21/1010092921.db2.gz DYTNVFDQRZDULC-OLZOCXBDSA-N 1 0 373.461 2.941 20 5 FFBDRO CC1(C)CCN(C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CC(C)(C)[NH2+]1 ZINC001181432117 1010093484 /nfs/dbraw/zinc/09/34/84/1010093484.db2.gz UWDNKMPVNQUBDW-UHFFFAOYSA-N 1 0 363.443 2.592 20 5 FFBDRO O=C(NCC1CC[NH+](CC2CC2)CC1)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000826685233 1010296344 /nfs/dbraw/zinc/29/63/44/1010296344.db2.gz DIACCXQLHZZWOC-MOPGFXCFSA-N 1 0 357.454 2.937 20 5 FFBDRO CC(C)[C@@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@@H](O)c1ccccc1 ZINC000794602232 1010435226 /nfs/dbraw/zinc/43/52/26/1010435226.db2.gz CZUZZVQVSJBGPU-UXHICEINSA-N 1 0 371.437 2.905 20 5 FFBDRO C[C@H](CNC(=O)Cc1cccc(F)c1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000865697265 1010844022 /nfs/dbraw/zinc/84/40/22/1010844022.db2.gz VKDXAVVWARTBJL-CQSZACIVSA-N 1 0 359.401 2.913 20 5 FFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C1CCN(C[C@@H]2CCCO2)CC1 ZINC000866266892 1010966662 /nfs/dbraw/zinc/96/66/62/1010966662.db2.gz UBMZXWNHDVMVLB-KSSFIOAISA-N 1 0 365.449 2.898 20 5 FFBDRO Cc1cc(N2CC[C@@H]([NH2+][C@H]3CCc4ccc([N+](=O)[O-])cc4CC3)C2)ncn1 ZINC001172904587 1012076533 /nfs/dbraw/zinc/07/65/33/1012076533.db2.gz OJQBFTROHHTTAU-ZWKOTPCHSA-N 1 0 367.453 2.809 20 5 FFBDRO Cc1cnc(N2CC[NH+]([C@@H]3CCc4ccc([N+](=O)[O-])cc4CC3)CC2)nc1 ZINC001172914134 1012096113 /nfs/dbraw/zinc/09/61/13/1012096113.db2.gz ZUZJYEJNCYXQBS-GOSISDBHSA-N 1 0 367.453 2.763 20 5 FFBDRO C[C@@H]1CN(C2C[NH+]([C@@H]3CCc4ccc([N+](=O)[O-])cc4CC3)C2)C[C@@H](C)O1 ZINC001172911626 1012126437 /nfs/dbraw/zinc/12/64/37/1012126437.db2.gz DBOKHDLKGFEUDW-IIDMSEBBSA-N 1 0 359.470 2.636 20 5 FFBDRO C[C@@H]([NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1)c1cnn(C)c1 ZINC001173006922 1012175928 /nfs/dbraw/zinc/17/59/28/1012175928.db2.gz DBUHQMJSTLTJRL-LLVKDONJSA-N 1 0 365.384 2.926 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH2+][C@H]3CCCC[C@@H]3O)CC2)c(F)c1 ZINC001173007727 1012176224 /nfs/dbraw/zinc/17/62/24/1012176224.db2.gz ZAFKDQVADUVAMX-HOTGVXAUSA-N 1 0 355.385 2.735 20 5 FFBDRO O=C1CCCC[C@@H]1[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173008289 1012176413 /nfs/dbraw/zinc/17/64/13/1012176413.db2.gz RVACJTOGHYDHRU-HNNXBMFYSA-N 1 0 353.369 2.943 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(N2CCC([N@@H+]3CC[C@@H]4CCO[C@H]4C3)CC2)c(F)c1 ZINC001173009799 1012178553 /nfs/dbraw/zinc/17/85/53/1012178553.db2.gz HKAHFMLTOABKGZ-PXAZEXFGSA-N 1 0 367.396 2.953 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(N2CCC([N@H+]3CC[C@@H](F)[C@@H](O)CC3)CC2)c(F)c1 ZINC001173010151 1012179378 /nfs/dbraw/zinc/17/93/78/1012179378.db2.gz NCXLQIAVZKAYIZ-CJNGLKHVSA-N 1 0 373.375 2.637 20 5 FFBDRO C[C@@H]1C[C@@H]([NH2+]C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)CCO1 ZINC001173011646 1012182135 /nfs/dbraw/zinc/18/21/35/1012182135.db2.gz FVCATQYZNGFGBL-YPMHNXCESA-N 1 0 355.385 2.999 20 5 FFBDRO C[C@@H]1C[NH+](C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)C[C@@H](C)O1 ZINC001173014083 1012183426 /nfs/dbraw/zinc/18/34/26/1012183426.db2.gz JYIBXLPFHSVCBV-VXGBXAGGSA-N 1 0 355.385 2.951 20 5 FFBDRO CC1(C)C[N@@H+](C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)CCO1 ZINC001173014941 1012186494 /nfs/dbraw/zinc/18/64/94/1012186494.db2.gz WZJZAQWCOQIICE-UHFFFAOYSA-N 1 0 355.385 2.953 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(N2CCC([N@@H+]3CC[C@@H]4OCC[C@H]4C3)CC2)c(F)c1 ZINC001173015435 1012186554 /nfs/dbraw/zinc/18/65/54/1012186554.db2.gz QCNRIJFFDAAGMO-SJCJKPOMSA-N 1 0 367.396 2.953 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(N2CCC([N@@H+]3C[C@H]4[C@H](CF)[C@H]4C3)CC2)c(F)c1 ZINC001173014772 1012186722 /nfs/dbraw/zinc/18/67/22/1012186722.db2.gz BCIZMDDHBDCXGY-ZSOGYDGISA-N 1 0 355.360 2.989 20 5 FFBDRO C[N@H+](Cc1ccncn1)C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173019965 1012192251 /nfs/dbraw/zinc/19/22/51/1012192251.db2.gz NEQAGUCLYCCSRZ-UHFFFAOYSA-N 1 0 363.368 2.764 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]Cc2c(C)nn(C)c2C)c1F ZINC001173177243 1012318628 /nfs/dbraw/zinc/31/86/28/1012318628.db2.gz RYNFXYQYFHDOQB-SNVBAGLBSA-N 1 0 350.394 2.814 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CC(=O)NC2CCCCC2)c1F ZINC001173176421 1012318710 /nfs/dbraw/zinc/31/87/10/1012318710.db2.gz HAXLYGCENGPHFU-LBPRGKRZSA-N 1 0 367.421 2.712 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@@H]2CCN(c3ccccn3)C2)c1F ZINC001173181245 1012323396 /nfs/dbraw/zinc/32/33/96/1012323396.db2.gz OTXYFHWMJYXOMH-ZIAGYGMSSA-N 1 0 374.416 2.937 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CC2(c3cnccn3)CC2)c1F ZINC001173181228 1012323761 /nfs/dbraw/zinc/32/37/61/1012323761.db2.gz OINGGRDXCXQCJG-LBPRGKRZSA-N 1 0 360.389 2.785 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]Cc2ccnn2CCF)c1F ZINC001173181974 1012326616 /nfs/dbraw/zinc/32/66/16/1012326616.db2.gz XTMJGGMDDOGCPM-LLVKDONJSA-N 1 0 354.357 2.629 20 5 FFBDRO COC(=O)CC1CC(C[NH2+][C@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C1 ZINC001173187296 1012329084 /nfs/dbraw/zinc/32/90/84/1012329084.db2.gz YONPXCUDCLYAFV-PNESKVBLSA-N 1 0 368.405 2.852 20 5 FFBDRO CCOC(=O)[C@@H]1CCC[N@@H+]([C@@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C1 ZINC001173190325 1012331908 /nfs/dbraw/zinc/33/19/08/1012331908.db2.gz SUSLOGAQHRZUOK-QWHCGFSZSA-N 1 0 368.405 2.949 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CCCc3ccc(C[NH3+])nc32)c1F ZINC001173191578 1012332498 /nfs/dbraw/zinc/33/24/98/1012332498.db2.gz MUSDFMBGWNJLLY-LBPRGKRZSA-N 1 0 374.416 2.980 20 5 FFBDRO COC(=O)[C@@H]1CC[C@@H]([NH2+][C@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C1 ZINC001173192836 1012333659 /nfs/dbraw/zinc/33/36/59/1012333659.db2.gz RNQIQTYFVVIKNO-IJLUTSLNSA-N 1 0 354.378 2.605 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH+]2CCC3(CCOC3=O)CC2)c1F ZINC001173193616 1012336139 /nfs/dbraw/zinc/33/61/39/1012336139.db2.gz UOOYGJBGQUDOFP-GFCCVEGCSA-N 1 0 366.389 2.703 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]Cc2ccc(Cl)nn2)c1F ZINC001173194196 1012337469 /nfs/dbraw/zinc/33/74/69/1012337469.db2.gz YRTBMNSQBFNHQS-VIFPVBQESA-N 1 0 354.769 2.907 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH+]2CCC(n3cnnc3)CC2)c1F ZINC001173196013 1012339114 /nfs/dbraw/zinc/33/91/14/1012339114.db2.gz KYBHYCJUPYZHPQ-LBPRGKRZSA-N 1 0 363.393 2.602 20 5 FFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc(N2CCOCC2=O)cc1 ZINC001173221388 1012351162 /nfs/dbraw/zinc/35/11/62/1012351162.db2.gz MVDBVDJYQZYIRY-OAHLLOKOSA-N 1 0 369.421 2.679 20 5 FFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCn2cc(C[NH+]3CCCC3)nc2C1 ZINC001173223735 1012354304 /nfs/dbraw/zinc/35/43/04/1012354304.db2.gz HDSVCCXAJYNDJI-INIZCTEOSA-N 1 0 369.469 2.834 20 5 FFBDRO CCOC[C@@H]1C[N@@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)Cc2cnn(C)c21 ZINC001173224345 1012357724 /nfs/dbraw/zinc/35/77/24/1012357724.db2.gz JOYUKZMMMCRNJK-PBHICJAKSA-N 1 0 358.442 2.895 20 5 FFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](CN1C(=O)CCC1=O)C(C)(C)C ZINC001173228835 1012365506 /nfs/dbraw/zinc/36/55/06/1012365506.db2.gz KRMDQOYWWQIEEX-CZUORRHYSA-N 1 0 361.442 2.679 20 5 FFBDRO COC[C@@H](C[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1)NC(=O)OC(C)(C)C ZINC001173233929 1012366829 /nfs/dbraw/zinc/36/68/29/1012366829.db2.gz LQOQQIZKWSXBCS-DZGCQCFKSA-N 1 0 367.446 2.655 20 5 FFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCCCCCN1C(=O)C=CC1=O ZINC001173214449 1012369935 /nfs/dbraw/zinc/36/99/35/1012369935.db2.gz CCTKPOMCESTGBP-OAHLLOKOSA-N 1 0 359.426 2.601 20 5 FFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](NC(=O)c2ccncc2)C1 ZINC001173237468 1012384643 /nfs/dbraw/zinc/38/46/43/1012384643.db2.gz KEAVDFVCISQGHM-MAUKXSAKSA-N 1 0 368.437 2.815 20 5 FFBDRO Cc1cc(N([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C2CC[NH2+]CC2)ncn1 ZINC001173237460 1012385470 /nfs/dbraw/zinc/38/54/70/1012385470.db2.gz KDGMJMQFHYEOEC-HNNXBMFYSA-N 1 0 355.442 2.883 20 5 FFBDRO C[C@]([NH3+])(C(=O)N[C@H]1C[C@@H]1c1c(F)cccc1F)c1cccc([N+](=O)[O-])c1 ZINC000870888903 1012622080 /nfs/dbraw/zinc/62/20/80/1012622080.db2.gz UALMVAASHQJYQB-XLWVJDPXSA-N 1 0 361.348 2.719 20 5 FFBDRO Cc1cc(N2CC[C@@H](CN3CCOC3=O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000828273439 1032645077 /nfs/dbraw/zinc/64/50/77/1032645077.db2.gz KUOCGSLPWJVHQT-CYBMUJFWSA-N 1 0 356.382 2.730 20 5 FFBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)[C@](C)(N)c2cccc([N+](=O)[O-])c2)C1 ZINC000870920327 1012636868 /nfs/dbraw/zinc/63/68/68/1012636868.db2.gz CTFQDUONBQXZMU-BAAGSCJXSA-N 1 0 374.485 2.633 20 5 FFBDRO COc1ccc(CC(=O)NCCC2CC[NH+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000870958062 1012652263 /nfs/dbraw/zinc/65/22/63/1012652263.db2.gz JDHVZXIJXDOTDG-UHFFFAOYSA-N 1 0 363.458 2.773 20 5 FFBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC([NH2+]CCC2CCC2)CC1 ZINC001173693254 1012901989 /nfs/dbraw/zinc/90/19/89/1012901989.db2.gz IAYSNNYYTDXZRF-UHFFFAOYSA-N 1 0 367.471 2.528 20 5 FFBDRO CC(C)[NH+](C(C)C)C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001173695848 1012902288 /nfs/dbraw/zinc/90/22/88/1012902288.db2.gz JLQRHIHGKOHZCH-UHFFFAOYSA-N 1 0 369.487 2.867 20 5 FFBDRO CCC1([NH+]2CCC2)CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000924384868 1017270056 /nfs/dbraw/zinc/27/00/56/1017270056.db2.gz RGGVHIQINOOORC-UHFFFAOYSA-N 1 0 361.442 2.841 20 5 FFBDRO C[C@@H](CCNC(=O)c1cc([N+](=O)[O-])c(F)cc1N)[N@H+](C)Cc1ccccc1 ZINC000801914258 1019507375 /nfs/dbraw/zinc/50/73/75/1019507375.db2.gz VHUHBBBSBDOPQF-ZDUSSCGKSA-N 1 0 374.416 2.957 20 5 FFBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000801981619 1019573698 /nfs/dbraw/zinc/57/36/98/1019573698.db2.gz RGSUJVVXHYIUBQ-CYBMUJFWSA-N 1 0 364.421 2.843 20 5 FFBDRO C[C@@]1(NC(=O)c2cc([N+](=O)[O-])ccc2N)CC[N@H+](Cc2ccccc2)C1 ZINC000406045879 1032846532 /nfs/dbraw/zinc/84/65/32/1032846532.db2.gz UZTCIQBUAQRDBL-LJQANCHMSA-N 1 0 354.410 2.571 20 5 FFBDRO O=C1O[C@H](C[N@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)CC12CC2 ZINC000828817142 1032854310 /nfs/dbraw/zinc/85/43/10/1032854310.db2.gz LKJMKTGHMUKOHJ-ULQDDVLXSA-N 1 0 374.437 2.796 20 5 FFBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H](O)CC[C@@H](O)c1ccccc1 ZINC000930442222 1020035222 /nfs/dbraw/zinc/03/52/22/1020035222.db2.gz WHWBIOZAOLPYIX-AZUAARDMSA-N 1 0 358.438 2.944 20 5 FFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CC[N@H+](Cc1ccc(C3CCC3)cc1)C2 ZINC001072725863 1020294407 /nfs/dbraw/zinc/29/44/07/1020294407.db2.gz UNNIAWJRRJYEGK-RTBURBONSA-N 1 0 369.465 2.654 20 5 FFBDRO C[NH2+][C@H]1C[C@@H](Oc2c(O)cc(C(=O)c3ccc(C)cc3)cc2[N+](=O)[O-])C1 ZINC001217956455 1032917979 /nfs/dbraw/zinc/91/79/79/1032917979.db2.gz ZQTHOTWAXDOIIV-GASCZTMLSA-N 1 0 356.378 2.969 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(O[C@H]2CCC[NH2+]C[C@H]2F)c(Br)c1 ZINC001217951747 1032915485 /nfs/dbraw/zinc/91/54/85/1032915485.db2.gz UVZQXJXJHLHLCM-MNOVXSKESA-N 1 0 351.147 2.965 20 5 FFBDRO C[C@@]1([C@H]2CCC[N@H+](CCCOc3ccc([N+](=O)[O-])cc3)C2)COC(=O)N1 ZINC000932016179 1020666903 /nfs/dbraw/zinc/66/69/03/1020666903.db2.gz JJYNESCJPRKCDK-KSSFIOAISA-N 1 0 363.414 2.574 20 5 FFBDRO O=[N+]([O-])c1cc(I)ccc1O[C@@H]1CCCC[NH2+]C1 ZINC001217976671 1032929086 /nfs/dbraw/zinc/92/90/86/1032929086.db2.gz XYVNKRLJZLZWEC-SNVBAGLBSA-N 1 0 362.167 2.720 20 5 FFBDRO C[C@@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000932177400 1020733818 /nfs/dbraw/zinc/73/38/18/1020733818.db2.gz PFYWMXXDMOESPP-DNVCBOLYSA-N 1 0 370.453 2.665 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]CCN2CCCOCC2)c2ccccc2)c1 ZINC000903228530 1020751761 /nfs/dbraw/zinc/75/17/61/1020751761.db2.gz SAFKETSANBWJPC-HXUWFJFHSA-N 1 0 355.438 2.996 20 5 FFBDRO C[NH+](C)Cc1ccc(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)cc1F ZINC000749249166 1020900408 /nfs/dbraw/zinc/90/04/08/1020900408.db2.gz ZCPMAYPJLUFIBI-UHFFFAOYSA-N 1 0 357.345 2.924 20 5 FFBDRO O=C(CC[NH+]1CCC(O)(C2CCC2)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000932820480 1020907642 /nfs/dbraw/zinc/90/76/42/1020907642.db2.gz PKZAVCJEXLYMRH-UHFFFAOYSA-N 1 0 365.405 2.690 20 5 FFBDRO COc1cc(C(=O)c2ccc(C)cc2)cc([N+](=O)[O-])c1O[C@@H]1C[NH2+]C[C@@H]1F ZINC001217997919 1032940197 /nfs/dbraw/zinc/94/01/97/1032940197.db2.gz HDLSJGGJGGFGQY-WMLDXEAASA-N 1 0 374.368 2.832 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@H](C2CCOCC2)C1 ZINC000933079001 1020952521 /nfs/dbraw/zinc/95/25/21/1020952521.db2.gz IKSHDOXHBPNVHH-INIZCTEOSA-N 1 0 361.442 2.980 20 5 FFBDRO COC(=O)[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2C)[C@@H]([C@H]2CCCO2)C1 ZINC000933183024 1020974547 /nfs/dbraw/zinc/97/45/47/1020974547.db2.gz ZVKNIKACKZMOPW-ZTFGCOKTSA-N 1 0 362.426 2.836 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@H](CO)c2ccccc2C(F)(F)F)cc1 ZINC000933241343 1020983081 /nfs/dbraw/zinc/98/30/81/1020983081.db2.gz KRAQNBJWGNIDHV-CVEARBPZSA-N 1 0 370.327 2.970 20 5 FFBDRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000933945120 1021118402 /nfs/dbraw/zinc/11/84/02/1021118402.db2.gz QRVAKMQUDZRZQV-OAHLLOKOSA-N 1 0 363.433 2.857 20 5 FFBDRO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC001116507942 1021252906 /nfs/dbraw/zinc/25/29/06/1021252906.db2.gz WAOLZTXNTYFOJA-STQMWFEESA-N 1 0 357.357 2.799 20 5 FFBDRO COC(=O)CC[N@@H+](Cc1ccccc1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750056645 1021284591 /nfs/dbraw/zinc/28/45/91/1021284591.db2.gz YNPLNVLMPJXANG-SFHVURJKSA-N 1 0 358.394 2.694 20 5 FFBDRO COc1c(=O)n2c3ccccc3c3ccnc(c32)c1O[C@@H]1C[NH2+]CC[C@H]1C ZINC001218046100 1032969776 /nfs/dbraw/zinc/96/97/76/1032969776.db2.gz SPCGTRBRQFUDHP-MLGOLLRUSA-N 1 0 363.417 2.824 20 5 FFBDRO COc1cc(O[C@H]2CC[NH2+][C@H](C)C2)c2c(c1)oc1c(O)ccc(O)c1c2=O ZINC001218052457 1032973554 /nfs/dbraw/zinc/97/35/54/1032973554.db2.gz BJKPHNREQJSPRV-MNOVXSKESA-N 1 0 371.389 2.885 20 5 FFBDRO C[C@H]1C[C@H](Oc2cc(I)ccc2[N+](=O)[O-])CC[NH2+]1 ZINC001218063311 1032974823 /nfs/dbraw/zinc/97/48/23/1032974823.db2.gz YJYJNWFOIPYPTI-WCBMZHEXSA-N 1 0 362.167 2.719 20 5 FFBDRO O=[N+]([O-])c1cc(Br)cc(O)c1O[C@H]1CCC[C@@]12CC[NH2+]C2 ZINC001218093524 1032991286 /nfs/dbraw/zinc/99/12/86/1032991286.db2.gz ATWJEZHTRUNFHU-JSGCOSHPSA-N 1 0 357.204 2.974 20 5 FFBDRO CC(C)(C)OC(=O)c1ccc(O[C@H]2CSC3(C[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC001218104692 1032996563 /nfs/dbraw/zinc/99/65/63/1032996563.db2.gz ZUKWGGRLETZIQI-GFCCVEGCSA-N 1 0 366.439 2.776 20 5 FFBDRO Cc1c([N+](=O)[O-])cc(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000016599431 1022281602 /nfs/dbraw/zinc/28/16/02/1022281602.db2.gz SXGBBQJAPJXTNY-QGZVFWFLSA-N 1 0 372.381 2.844 20 5 FFBDRO Cc1ccc2ccccc2c1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001020139364 1022563967 /nfs/dbraw/zinc/56/39/67/1022563967.db2.gz ZIMKSCAKHFJDAE-FXRXJOCMSA-N 1 0 353.422 2.550 20 5 FFBDRO C[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C[C@]1(O)CCc2ccccc21 ZINC000829319739 1033099493 /nfs/dbraw/zinc/09/94/93/1033099493.db2.gz SSLVHUGNRVXHKC-HXUWFJFHSA-N 1 0 370.405 2.727 20 5 FFBDRO C[C@H](CCNC(=O)c1cc([N+](=O)[O-])ccc1N)[N@H+](C)Cc1ccccc1 ZINC000188216940 1023042305 /nfs/dbraw/zinc/04/23/05/1023042305.db2.gz BSNLWAKEBMKZFB-CQSZACIVSA-N 1 0 356.426 2.817 20 5 FFBDRO C[NH+](C)CCOc1ccc(CCC(=O)NCc2ccccc2[N+](=O)[O-])cc1 ZINC001120012287 1023204848 /nfs/dbraw/zinc/20/48/48/1023204848.db2.gz RFBIHHGPVOJVCC-UHFFFAOYSA-N 1 0 371.437 2.784 20 5 FFBDRO CC(C)(C)OC(=O)NC[C@@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000754409155 1023466138 /nfs/dbraw/zinc/46/61/38/1023466138.db2.gz QUYKLORHVPRKSN-HZPDHXFCSA-N 1 0 365.430 2.521 20 5 FFBDRO O=[N+]([O-])c1c2c(cc(Br)c1OCCO[C@H]1CC[NH2+]C1)CCC2 ZINC001218395060 1033136875 /nfs/dbraw/zinc/13/68/75/1033136875.db2.gz TUVCHLSOLBHWGA-NSHDSACASA-N 1 0 371.231 2.603 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ncn(C[N@@H+]3CC[C@@H](C4CCOCC4)C3)n2)cc1 ZINC000754782622 1023517006 /nfs/dbraw/zinc/51/70/06/1023517006.db2.gz JINQFYRGHJSEMD-MRXNPFEDSA-N 1 0 357.414 2.559 20 5 FFBDRO O=[N+]([O-])c1ccc(I)cc1O[C@H]1C[NH2+]CCC12CC2 ZINC001218405263 1033139966 /nfs/dbraw/zinc/13/99/66/1033139966.db2.gz OQGBYLYSEWTTPM-LBPRGKRZSA-N 1 0 374.178 2.720 20 5 FFBDRO CC[NH+](CC)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1N)c1ccccc1 ZINC001141284777 1025761249 /nfs/dbraw/zinc/76/12/49/1025761249.db2.gz LUPXICZAEJBZMB-GOSISDBHSA-N 1 0 356.426 2.990 20 5 FFBDRO CC(C)[N@@H+]1CCCC[C@H]1COC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000837432737 1025801578 /nfs/dbraw/zinc/80/15/78/1025801578.db2.gz XYPLEVHGMVDDAL-INIZCTEOSA-N 1 0 360.414 2.751 20 5 FFBDRO CCOC(=O)C1C[NH2+]CCC1=Nc1nc(Cl)c(Cl)cc1[N+](=O)[O-] ZINC001159452962 1027395228 /nfs/dbraw/zinc/39/52/28/1027395228.db2.gz LIJOJWSWYOQHCW-UHFFFAOYSA-N 1 0 361.185 2.519 20 5 FFBDRO [NH3+]Cc1ccc2cn(-c3cc([N+](=O)[O-])cc4c(Cl)ncnc43)nc2c1 ZINC001160142866 1027609274 /nfs/dbraw/zinc/60/92/74/1027609274.db2.gz FVDXOZFTXOSGGP-UHFFFAOYSA-N 1 0 354.757 2.989 20 5 FFBDRO [NH3+]C[C@@]1(Nc2cc(Cl)nc3ccc([N+](=O)[O-])cc32)CN2CCC1CC2 ZINC001160521108 1027737112 /nfs/dbraw/zinc/73/71/12/1027737112.db2.gz WDRGBELYVJBKHR-QGZVFWFLSA-N 1 0 361.833 2.631 20 5 FFBDRO CSc1nc(Cl)nc(N[C@H]2CC[NH2+]C[C@@H]2C(F)(F)F)c1[N+](=O)[O-] ZINC001160739474 1027847061 /nfs/dbraw/zinc/84/70/61/1027847061.db2.gz MQCKCFCFDYCKJC-WDSKDSINSA-N 1 0 371.772 2.712 20 5 FFBDRO CCc1cc(NCC[C@H]2CCC[N@@H+]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001160971189 1027954756 /nfs/dbraw/zinc/95/47/56/1027954756.db2.gz YSZKVPYDCAOJRI-MRXNPFEDSA-N 1 0 355.442 2.932 20 5 FFBDRO O=[N+]([O-])c1cnc(Cl)nc1NC1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC001161129230 1028025089 /nfs/dbraw/zinc/02/50/89/1028025089.db2.gz AQZYYKHLXMCBJJ-UHFFFAOYSA-N 1 0 363.805 2.820 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2ncn(CN3CCC=C(c4ccncc4)C3)n2)c1 ZINC000795735735 1028073863 /nfs/dbraw/zinc/07/38/63/1028073863.db2.gz PXDPKOUHUYRCMQ-UHFFFAOYSA-N 1 0 362.393 2.995 20 5 FFBDRO COc1nc(NCC2CC[NH+](Cc3ccccn3)CC2)ccc1[N+](=O)[O-] ZINC001161243199 1028090704 /nfs/dbraw/zinc/09/07/04/1028090704.db2.gz MQKXLZVCEMKIAK-UHFFFAOYSA-N 1 0 357.414 2.718 20 5 FFBDRO COCCC1(CNc2ccc(-c3ccc([N+](=O)[O-])cc3)nn2)CC[NH2+]CC1 ZINC001161503038 1028205190 /nfs/dbraw/zinc/20/51/90/1028205190.db2.gz SVOCJJXPFTXNCO-UHFFFAOYSA-N 1 0 371.441 2.870 20 5 FFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(CC1)CC[NH+](CC1CCCCC1)CC2 ZINC000957550395 1028328555 /nfs/dbraw/zinc/32/85/55/1028328555.db2.gz YOVQLRVPCXROMH-QZTJIDSGSA-N 1 0 363.502 2.937 20 5 FFBDRO COc1nc(C)c([N+](=O)[O-])c(Nc2ccc(Br)cc2C[NH3+])n1 ZINC001161852451 1028334389 /nfs/dbraw/zinc/33/43/89/1028334389.db2.gz REUNNRMYHOYUEF-UHFFFAOYSA-N 1 0 368.191 2.667 20 5 FFBDRO Cc1c([N+](=O)[O-])cc(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000249943421 1028406459 /nfs/dbraw/zinc/40/64/59/1028406459.db2.gz XHWFCKSHZXPAKH-VXGBXAGGSA-N 1 0 364.402 2.662 20 5 FFBDRO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N[C@@]1(C)CCC[N@H+](C)C1 ZINC001162341329 1028507928 /nfs/dbraw/zinc/50/79/28/1028507928.db2.gz KRAVQBUKVFFNDP-HNNXBMFYSA-N 1 0 356.810 2.716 20 5 FFBDRO O=[N+]([O-])c1ccccc1-c1ccc(-n2cncc2C2CC[NH2+]CC2)nn1 ZINC001155064593 1028563723 /nfs/dbraw/zinc/56/37/23/1028563723.db2.gz TYHSGEXCZMUGHQ-UHFFFAOYSA-N 1 0 350.382 2.705 20 5 FFBDRO O=[N+]([O-])c1c(Cl)nc(C(F)(F)F)nc1NC[C@]1(F)CCCC[NH2+]C1 ZINC001155117901 1028586576 /nfs/dbraw/zinc/58/65/76/1028586576.db2.gz JDXDLQJNYFPTCP-NSHDSACASA-N 1 0 371.722 2.951 20 5 FFBDRO CCOC1(OCC)CC[NH2+]C[C@H]1Nc1nccc2ccc([N+](=O)[O-])cc21 ZINC001155231663 1028638033 /nfs/dbraw/zinc/63/80/33/1028638033.db2.gz PQZCGYFZOPHKNP-MRXNPFEDSA-N 1 0 360.414 2.686 20 5 FFBDRO CC/C=C\CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001162809983 1028664029 /nfs/dbraw/zinc/66/40/29/1028664029.db2.gz AWPGCKPYDZXUOH-IFEVLTCRSA-N 1 0 359.470 2.669 20 5 FFBDRO O=[N+]([O-])c1cc2c(nc1NC[C@H]1CCC3(CC[NH2+]CC3)CO1)CCCC2 ZINC001162957685 1028731857 /nfs/dbraw/zinc/73/18/57/1028731857.db2.gz ROAUJLMLXFUYQX-OAHLLOKOSA-N 1 0 360.458 2.829 20 5 FFBDRO O=[N+]([O-])c1cccc2ncnc(NCC[C@H]3C[NH2+]Cc4cccn4C3)c21 ZINC001155462212 1028747041 /nfs/dbraw/zinc/74/70/41/1028747041.db2.gz KIPQKWZDWZFMHV-ZDUSSCGKSA-N 1 0 352.398 2.561 20 5 FFBDRO O=[N+]([O-])c1cc2c(nc1NCC[C@@H]1C[NH2+]Cc3cccn3C1)CCCC2 ZINC001163056958 1028779873 /nfs/dbraw/zinc/77/98/73/1028779873.db2.gz WRDJYXDNWMGWLN-CQSZACIVSA-N 1 0 355.442 2.892 20 5 FFBDRO [NH3+]C[C@H](CO)c1ccc(Nc2cc([N+](=O)[O-])cc3c(Cl)ncnc23)cc1 ZINC001163058512 1028780442 /nfs/dbraw/zinc/78/04/42/1028780442.db2.gz KQGAGBFAJBDPBP-LLVKDONJSA-N 1 0 373.800 2.970 20 5 FFBDRO CCOC(=O)c1ccc(NCC[C@@H]2C[NH2+]Cc3cccn3C2)c([N+](=O)[O-])c1 ZINC001163064008 1028783152 /nfs/dbraw/zinc/78/31/52/1028783152.db2.gz PERNSNXIKKQFAP-CQSZACIVSA-N 1 0 372.425 2.795 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ccc(NC[C@H]3CO[C@@]4(C3)CCC[NH2+]C4)nn2)cc1 ZINC001155597256 1028806326 /nfs/dbraw/zinc/80/63/26/1028806326.db2.gz LBBSABYLSKJDFF-IFXJQAMLSA-N 1 0 369.425 2.622 20 5 FFBDRO CN(C)CC[N@H+](C)CCCN(C)c1cccc(C(F)(F)F)c1[N+](=O)[O-] ZINC001163437081 1028926468 /nfs/dbraw/zinc/92/64/68/1028926468.db2.gz JRRZWZNDCMGMBT-UHFFFAOYSA-N 1 0 362.396 2.933 20 5 FFBDRO COC(=O)c1ccc([C@H]([NH3+])CNc2nc(Cl)cc(C)c2[N+](=O)[O-])cc1 ZINC001163463192 1028935431 /nfs/dbraw/zinc/93/54/31/1028935431.db2.gz VOZCDJQDZPAGPU-GFCCVEGCSA-N 1 0 364.789 2.850 20 5 FFBDRO CNC(=O)c1ccc(N[C@H]2CC[N@H+](Cc3cccc(C)c3)C2)c([N+](=O)[O-])c1 ZINC001163831721 1029083454 /nfs/dbraw/zinc/08/34/54/1029083454.db2.gz UHTGSUHTAPTLSX-KRWDZBQOSA-N 1 0 368.437 2.949 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)cc(-n2ccc3cc(N4CC[NH2+]CC4)ccc32)n1 ZINC001156207374 1029091681 /nfs/dbraw/zinc/09/16/81/1029091681.db2.gz WIJBQDUWPPNVOG-UHFFFAOYSA-N 1 0 357.801 2.997 20 5 FFBDRO O=[N+]([O-])c1cnc(N2CC[NH2+][C@@H](c3ccccc3)C2)c(Br)c1 ZINC001164190725 1029196033 /nfs/dbraw/zinc/19/60/33/1029196033.db2.gz KWNCOQPPNINUBW-CQSZACIVSA-N 1 0 363.215 2.903 20 5 FFBDRO [NH3+][C@@H]1CCN(c2nc3ccsc3c(Oc3cccc([N+](=O)[O-])c3)n2)C1 ZINC001164279229 1029230932 /nfs/dbraw/zinc/23/09/32/1029230932.db2.gz OUFRJLCWMGCYCM-SNVBAGLBSA-N 1 0 357.395 2.929 20 5 FFBDRO Cc1cc(N[C@@H]2CC[C@H]3C[N@@H+](C)C[C@@H]32)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164378881 1029267801 /nfs/dbraw/zinc/26/78/01/1029267801.db2.gz DAEFHPVTASFRST-BHYGNILZSA-N 1 0 353.426 2.534 20 5 FFBDRO Cc1cc(N[C@@H]2CC[C@@H]3C[N@@H+](C)C[C@H]23)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164378885 1029268207 /nfs/dbraw/zinc/26/82/07/1029268207.db2.gz DAEFHPVTASFRST-HYVNUMGLSA-N 1 0 353.426 2.534 20 5 FFBDRO [NH3+]Cc1cnc2c(ccn2-c2cc([N+](=O)[O-])cc3c(Cl)ncnc32)c1 ZINC001156609663 1029268601 /nfs/dbraw/zinc/26/86/01/1029268601.db2.gz WMJCZSYCVOGBTD-UHFFFAOYSA-N 1 0 354.757 2.989 20 5 FFBDRO CC(C)C[C@@H](CNC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[NH+](C)C ZINC000781595695 1029294682 /nfs/dbraw/zinc/29/46/82/1029294682.db2.gz WTLOJRXVRZTUCU-HNNXBMFYSA-N 1 0 366.418 2.528 20 5 FFBDRO CSc1nc(Cl)nc(-n2nc(C[NH3+])c3ccccc32)c1[N+](=O)[O-] ZINC001156855705 1029378740 /nfs/dbraw/zinc/37/87/40/1029378740.db2.gz MXPTVSUNOLUNBA-UHFFFAOYSA-N 1 0 350.791 2.558 20 5 FFBDRO CC[N@H+]([C@H]1CCOC1)C1CCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC001165109356 1029397027 /nfs/dbraw/zinc/39/70/27/1029397027.db2.gz UOVUQINSPUKOBH-ZDUSSCGKSA-N 1 0 354.838 2.723 20 5 FFBDRO O=C(CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])OCCCn1ccnc1 ZINC000781825911 1029430736 /nfs/dbraw/zinc/43/07/36/1029430736.db2.gz LTOVFQQAVVJNTO-UHFFFAOYSA-N 1 0 372.303 2.856 20 5 FFBDRO COc1cc(-n2nc(C3CC[NH2+]CC3)c3ccccc32)ncc1[N+](=O)[O-] ZINC001157377837 1029568724 /nfs/dbraw/zinc/56/87/24/1029568724.db2.gz SXLCIBXDDLODIL-UHFFFAOYSA-N 1 0 353.382 2.804 20 5 FFBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CCC(C)([NH+]2CCCC2)CC1 ZINC001157660887 1029640850 /nfs/dbraw/zinc/64/08/50/1029640850.db2.gz VAGWVJJVYPQACE-UHFFFAOYSA-N 1 0 362.430 2.621 20 5 FFBDRO CCC[N@H+]1C[C@H]2CN(c3nc(Cl)nc(SC)c3[N+](=O)[O-])C[C@H]2C1 ZINC001157690868 1029646648 /nfs/dbraw/zinc/64/66/48/1029646648.db2.gz GHLYCHPDLBEFAM-AOOOYVTPSA-N 1 0 357.867 2.538 20 5 FFBDRO CCC[C@@H](C(=O)c1ccccc1)N(C)c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001157761086 1029656917 /nfs/dbraw/zinc/65/69/17/1029656917.db2.gz ZUQYEDWYRMBDPY-HNNXBMFYSA-N 1 0 369.425 2.559 20 5 FFBDRO O=C(NCCC[NH2+]Cc1csc2c1cccc2Cl)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157775243 1029661096 /nfs/dbraw/zinc/66/10/96/1029661096.db2.gz MJKGLPPYBSWHIO-TZMCWYRMSA-N 1 0 367.858 2.816 20 5 FFBDRO COc1cccc(N(c2ccc3[nH]cc([N+](=O)[O-])c3n2)C2CC[NH2+]CC2)n1 ZINC001158054153 1029720899 /nfs/dbraw/zinc/72/08/99/1029720899.db2.gz NPXBIIRTJVTBEV-UHFFFAOYSA-N 1 0 368.397 2.765 20 5 FFBDRO O=C(CC[NH2+][C@H](CO)c1cccc(F)c1)Nc1cc([N+](=O)[O-])ccc1F ZINC000782532191 1029734002 /nfs/dbraw/zinc/73/40/02/1029734002.db2.gz XOESDNDCDOZQIW-MRXNPFEDSA-N 1 0 365.336 2.525 20 5 FFBDRO O=C(CC[N@@H+]1CCOCC2(CCCC2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000782543722 1029740564 /nfs/dbraw/zinc/74/05/64/1029740564.db2.gz OBYGQWRKBGTJOH-UHFFFAOYSA-N 1 0 365.405 2.955 20 5 FFBDRO CCOc1nc(N(c2ccnc(OC)c2)C2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC001158331025 1029799303 /nfs/dbraw/zinc/79/93/03/1029799303.db2.gz APLZTRAMUYXXFR-UHFFFAOYSA-N 1 0 373.413 2.682 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)ncnc2N(c1ccncc1F)C1CC[NH2+]CC1 ZINC001158339746 1029802178 /nfs/dbraw/zinc/80/21/78/1029802178.db2.gz JLHOYAQFVOVCMJ-UHFFFAOYSA-N 1 0 368.372 2.962 20 5 FFBDRO CSc1nc(Cl)nc(N2CCC3(CCCC[NH2+]3)CC2)c1[N+](=O)[O-] ZINC001165246051 1029913025 /nfs/dbraw/zinc/91/30/25/1029913025.db2.gz AQSDLYHFTSZXRP-UHFFFAOYSA-N 1 0 357.867 2.873 20 5 FFBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N2CCC3(CCCC[NH2+]3)CC2)n1 ZINC001165246840 1029913286 /nfs/dbraw/zinc/91/32/86/1029913286.db2.gz RHTQVDYKUYEKRF-UHFFFAOYSA-N 1 0 357.867 2.873 20 5 FFBDRO [NH3+]C1([C@H]2CN(c3ccc(-c4ccccc4[N+](=O)[O-])nn3)C[C@@H]2CF)CC1 ZINC001165431610 1029979825 /nfs/dbraw/zinc/97/98/25/1029979825.db2.gz COYHDSBTRVRUEB-JSGCOSHPSA-N 1 0 357.389 2.565 20 5 FFBDRO CC(C)(C)N(c1cc([N+](=O)[O-])c2cc[nH]c2n1)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001165668445 1030074300 /nfs/dbraw/zinc/07/43/00/1030074300.db2.gz ATPTVJBAUIHJOR-CYBMUJFWSA-N 1 0 373.457 2.987 20 5 FFBDRO O=C1NCC2(CC[NH+](Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)CC2)O1 ZINC000783724299 1030254292 /nfs/dbraw/zinc/25/42/92/1030254292.db2.gz UGERXVFPVFVURV-UHFFFAOYSA-N 1 0 357.366 2.929 20 5 FFBDRO O=[N+]([O-])c1cnc(N2CCC(CCc3ccccc3)CC2)nc1C1C[NH2+]C1 ZINC001166572677 1030446156 /nfs/dbraw/zinc/44/61/56/1030446156.db2.gz FGHFBGPEVCDTRW-UHFFFAOYSA-N 1 0 367.453 2.921 20 5 FFBDRO O=[N+]([O-])c1ccccc1Cc1noc([C@]2(c3ccccc3)CC[NH2+]C2)n1 ZINC000841823048 1030488357 /nfs/dbraw/zinc/48/83/57/1030488357.db2.gz XJPRMXRXXCABJF-LJQANCHMSA-N 1 0 350.378 2.848 20 5 FFBDRO Nc1cc([N+](=O)[O-])cnc1N(CC[NH3+])Cc1ccc(Cl)cc1Cl ZINC001166910360 1030571882 /nfs/dbraw/zinc/57/18/82/1030571882.db2.gz DBCLWZXXKXWJEP-UHFFFAOYSA-N 1 0 356.213 2.844 20 5 FFBDRO COc1cc(C[NH2+][C@H]2C[C@H](C(=O)OC(C)(C)C)C2)c([N+](=O)[O-])cc1O ZINC001203553664 1030764143 /nfs/dbraw/zinc/76/41/43/1030764143.db2.gz LKTXMSRNHBODMO-UMSPYCQHSA-N 1 0 352.387 2.519 20 5 FFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001534856211 1069693245 /nfs/dbraw/zinc/69/32/45/1069693245.db2.gz AJBRGQFJWFFFCJ-PBHICJAKSA-N 1 0 368.437 2.796 20 5 FFBDRO C[N@H+](Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1)C[C@@](C)(O)c1ccccc1 ZINC000842626963 1030851242 /nfs/dbraw/zinc/85/12/42/1030851242.db2.gz QNCLIUIDPCPAPZ-LJQANCHMSA-N 1 0 367.409 2.650 20 5 FFBDRO CC(C)NC(=O)OC[C@H]1CCCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000796715560 1030893785 /nfs/dbraw/zinc/89/37/85/1030893785.db2.gz GIGDVFVFWCVOJU-MRXNPFEDSA-N 1 0 365.430 2.963 20 5 FFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@@H](O)c2ccccc2C(F)(F)F)c1 ZINC000843070630 1031172294 /nfs/dbraw/zinc/17/22/94/1031172294.db2.gz VUPCEMMHZFOQJV-JKSUJKDBSA-N 1 0 370.327 2.970 20 5 FFBDRO Cc1cc(C(=O)N2CCC[C@H]2c2nc([C@@H]([NH3+])C(C)C)no2)ccc1[N+](=O)[O-] ZINC000843151174 1031214744 /nfs/dbraw/zinc/21/47/44/1031214744.db2.gz CXNSUKVYSHPWOU-GJZGRUSLSA-N 1 0 373.413 2.919 20 5 FFBDRO [NH3+]CCN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)Cc1ccccc1 ZINC000843368174 1031359430 /nfs/dbraw/zinc/35/94/30/1031359430.db2.gz NSBQJKVKHLOBNA-UHFFFAOYSA-N 1 0 360.389 2.523 20 5 FFBDRO CC[NH+]1CCN(c2cc(N(C)C(=O)[C@H]3C[C@@H]3C(C)C)cc([N+](=O)[O-])c2)CC1 ZINC001535174616 1069737638 /nfs/dbraw/zinc/73/76/38/1069737638.db2.gz OBBQNTOQBPOQQY-MOPGFXCFSA-N 1 0 374.485 2.992 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](c2ccccn2)C1 ZINC000799193830 1031689301 /nfs/dbraw/zinc/68/93/01/1031689301.db2.gz BDYQYXUQVWWYOZ-AWEZNQCLSA-N 1 0 370.409 2.817 20 5 FFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](CCO)Cc1ccccc1 ZINC000799732406 1031867781 /nfs/dbraw/zinc/86/77/81/1031867781.db2.gz YKTIJDBTWZSGGX-YJBOKZPZSA-N 1 0 371.437 2.895 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1OS(=O)(=O)c1ccccc1Cn1ccnc1 ZINC000799793378 1031888417 /nfs/dbraw/zinc/88/84/17/1031888417.db2.gz ZHKOYJWMVAUGKW-UHFFFAOYSA-N 1 0 373.390 2.916 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1COC[C@@H]1CCC2(CC[NH+](C)CC2)O1 ZINC001223943319 1033654589 /nfs/dbraw/zinc/65/45/89/1033654589.db2.gz LZHLYSFKVDTHDI-INIZCTEOSA-N 1 0 350.415 2.763 20 5 FFBDRO Cn1ccnc1CNC(=O)[C@@H]([NH3+])Cc1c2ccccc2cc2ccccc21 ZINC001219566117 1033692679 /nfs/dbraw/zinc/69/26/79/1033692679.db2.gz TXFBJWZCWCZWKO-FQEVSTJZSA-N 1 0 358.445 2.913 20 5 FFBDRO O=C(N[C@]1(C(F)(F)F)CC[NH2+]C1)c1cccc2nc3ccccc3nc21 ZINC001219615598 1033715393 /nfs/dbraw/zinc/71/53/93/1033715393.db2.gz BRVSEBWGVHJKAF-QGZVFWFLSA-N 1 0 360.339 2.807 20 5 FFBDRO C[C@H](CCNC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)[NH+]1CCCCC1 ZINC001138168595 1033898230 /nfs/dbraw/zinc/89/82/30/1033898230.db2.gz LDXBCFHSDTYQIH-CQSZACIVSA-N 1 0 371.441 2.979 20 5 FFBDRO O=C([C@@H]1CCCC[N@@H+]1C1CCCC1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001138247074 1034015672 /nfs/dbraw/zinc/01/56/72/1034015672.db2.gz AOERMUDTRUXGCK-IBGZPJMESA-N 1 0 373.453 2.982 20 5 FFBDRO C[N+](C)(C)C[C@H](O)CC(=O)OCCCCCCOCc1ccccc1 ZINC001224808250 1034017358 /nfs/dbraw/zinc/01/73/58/1034017358.db2.gz AQFXBOZZVXLAFO-LJQANCHMSA-N 1 0 352.495 2.764 20 5 FFBDRO C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2I)CC1 ZINC001226031346 1034499419 /nfs/dbraw/zinc/49/94/19/1034499419.db2.gz AFWWQJZTQBFFOT-UHFFFAOYSA-N 1 0 362.167 2.672 20 5 FFBDRO O=[N+]([O-])c1ccc2ncnc(O[C@H]3CC[C@@H]([NH+]4CCOCC4)CC3)c2c1 ZINC001226441092 1034685853 /nfs/dbraw/zinc/68/58/53/1034685853.db2.gz NRGLDPULOCBOGM-OTVXOJSOSA-N 1 0 358.398 2.560 20 5 FFBDRO Cc1cc(Br)cc(Cl)c1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001227118924 1034940352 /nfs/dbraw/zinc/94/03/52/1034940352.db2.gz MTWGCDMMRPOOTC-LLVKDONJSA-N 1 0 365.675 2.774 20 5 FFBDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001227502282 1035589254 /nfs/dbraw/zinc/58/92/54/1035589254.db2.gz ZPZCNWFDSPQTAZ-MSRIBSCDSA-N 1 0 366.330 2.520 20 5 FFBDRO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2N)CC[N@H+](Cc2ccccc2)C1 ZINC001140895721 1036403557 /nfs/dbraw/zinc/40/35/57/1036403557.db2.gz GAWKMCWKICXDBQ-HNNXBMFYSA-N 1 0 368.437 2.771 20 5 FFBDRO Cc1nc(O[C@H]2CCC[N@H+](Cc3ccccc3F)C2)c([N+](=O)[O-])c(=O)[n-]1 ZINC001229380078 1036641868 /nfs/dbraw/zinc/64/18/68/1036641868.db2.gz ZEPCNXGEGFSMDG-ZDUSSCGKSA-N 1 0 362.361 2.581 20 5 FFBDRO C[NH+]1CCC2(CC[C@@H](COc3cccc([N+](=O)[O-])c3[N+](=O)[O-])O2)CC1 ZINC001233572458 1036683791 /nfs/dbraw/zinc/68/37/91/1036683791.db2.gz CLGMACJIVUGKIE-LBPRGKRZSA-N 1 0 351.359 2.525 20 5 FFBDRO CCOC(=O)c1ccc(Br)c(O)c1O[C@H](C)C[N+](C)(C)C ZINC001234609635 1037111761 /nfs/dbraw/zinc/11/17/61/1037111761.db2.gz RAMARUIMNWHDAH-SNVBAGLBSA-O 1 0 361.256 2.805 20 5 FFBDRO C[C@@H](c1ccccn1)[N@@H+]1CCC[C@@H](Oc2nc3c[nH]cc([N+](=O)[O-])c-3n2)C1 ZINC001230231708 1037163530 /nfs/dbraw/zinc/16/35/30/1037163530.db2.gz QDTVAZSPLRWHKD-QWHCGFSZSA-N 1 0 368.397 2.866 20 5 FFBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cccc(-c2cccc([N+](=O)[O-])c2)c1 ZINC001230940380 1037415364 /nfs/dbraw/zinc/41/53/64/1037415364.db2.gz WCYHBIHPOGQQDA-QGZVFWFLSA-N 1 0 359.402 2.624 20 5 FFBDRO COCC[NH+]1CCC(Oc2ccc3nc4ccc(=O)cc-4oc3c2)CC1 ZINC001231334801 1037536444 /nfs/dbraw/zinc/53/64/44/1037536444.db2.gz LNCQELFULBNGHN-UHFFFAOYSA-N 1 0 354.406 2.782 20 5 FFBDRO COc1cc(N2CCC([NH2+]C[C@H]3CCC[C@H](O)C3)CC2)ccc1[N+](=O)[O-] ZINC001256090249 1038375040 /nfs/dbraw/zinc/37/50/40/1038375040.db2.gz PTBRNJHHODVSCF-YOEHRIQHSA-N 1 0 363.458 2.713 20 5 FFBDRO COc1cc(N2CCC([N@@H+]3CCC[C@@H](N(C)C)C3)CC2)ccc1[N+](=O)[O-] ZINC001256098684 1038382396 /nfs/dbraw/zinc/38/23/96/1038382396.db2.gz CMDJAILBWKANLK-QGZVFWFLSA-N 1 0 362.474 2.598 20 5 FFBDRO COc1cc(N2CCC([N@@H+]3CCN4CCCC[C@@H]4C3)CC2)ccc1[N+](=O)[O-] ZINC001256099172 1038385050 /nfs/dbraw/zinc/38/50/50/1038385050.db2.gz MBILKKXIPNUZML-GOSISDBHSA-N 1 0 374.485 2.742 20 5 FFBDRO C[NH+]1CCN(c2cccc3[nH]c(-c4cc(O)cc([N+](=O)[O-])c4)nc32)CC1 ZINC001251389212 1039107330 /nfs/dbraw/zinc/10/73/30/1039107330.db2.gz CGBPFJUORKFFBW-UHFFFAOYSA-N 1 0 353.382 2.596 20 5 FFBDRO C[C@@H]1C[NH+](CCc2nnc(-c3c[nH]c4cc([N+](=O)[O-])ccc43)o2)C[C@@H](C)O1 ZINC001258037721 1039137771 /nfs/dbraw/zinc/13/77/71/1039137771.db2.gz ZXAPKYYQQMYGGK-VXGBXAGGSA-N 1 0 371.397 2.778 20 5 FFBDRO Cc1cc(F)c([N+](=O)[O-])cc1-c1nnc(CC[NH+]2C[C@H](C)O[C@@H](C)C2)o1 ZINC001258154635 1039234129 /nfs/dbraw/zinc/23/41/29/1039234129.db2.gz XFKNPCMMFODJER-RYUDHWBXSA-N 1 0 364.377 2.744 20 5 FFBDRO COc1cc(N2CCC([N@@H+]3CCNC[C@H]3C(C)C)CC2)ccc1[N+](=O)[O-] ZINC001246692276 1039438897 /nfs/dbraw/zinc/43/88/97/1039438897.db2.gz GIJXLAFZWLVDIO-SFHVURJKSA-N 1 0 362.474 2.502 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CC(F)(F)CC[C@@H]2C[NH3+])c1F ZINC001246984857 1039563422 /nfs/dbraw/zinc/56/34/22/1039563422.db2.gz HSJRDFODHIIHGH-WDEREUQCSA-N 1 0 361.364 2.732 20 5 FFBDRO c1cnc2c(c1)ccc1ccc(-c3noc([C@H]4CO[C@@H]5C[NH2+]C[C@H]45)n3)nc12 ZINC001247898096 1040028613 /nfs/dbraw/zinc/02/86/13/1040028613.db2.gz PIPULGGUFYMFMA-IJEWVQPXSA-N 1 0 359.389 2.535 20 5 FFBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@@H]2C[NH2+][C@@H](c3ccccc3)C2)n1 ZINC001248286378 1040208830 /nfs/dbraw/zinc/20/88/30/1040208830.db2.gz ZRJUAALLDXWEFQ-WCQYABFASA-N 1 0 355.329 2.997 20 5 FFBDRO COc1nc(C)ccc1-c1noc(C[C@@H]([NH3+])c2cccc([N+](=O)[O-])c2)n1 ZINC001249278942 1040663890 /nfs/dbraw/zinc/66/38/90/1040663890.db2.gz RDPQEQWRAIOUIG-CQSZACIVSA-N 1 0 355.354 2.599 20 5 FFBDRO Cn1ncc2ccc(-c3noc(C[C@@H]([NH3+])c4cccc([N+](=O)[O-])c4)n3)cc21 ZINC001249278418 1040665015 /nfs/dbraw/zinc/66/50/15/1040665015.db2.gz JAYQEQYSOBVVSX-OAHLLOKOSA-N 1 0 364.365 2.774 20 5 FFBDRO COc1cc(OC)cc(-c2noc(C[C@@H]([NH3+])c3ccccc3[N+](=O)[O-])n2)c1 ZINC001249342116 1040692409 /nfs/dbraw/zinc/69/24/09/1040692409.db2.gz IDBNOCZASKNXNW-OAHLLOKOSA-N 1 0 370.365 2.905 20 5 FFBDRO COc1nc(C)ccc1-c1noc(C[C@@H]([NH3+])c2ccccc2[N+](=O)[O-])n1 ZINC001249342565 1040692491 /nfs/dbraw/zinc/69/24/91/1040692491.db2.gz OOCVHIYFXGBSTG-CYBMUJFWSA-N 1 0 355.354 2.599 20 5 FFBDRO [NH3+][C@H](Cc1nc(-c2ccc3nccnc3c2)no1)c1ccccc1[N+](=O)[O-] ZINC001249341865 1040692933 /nfs/dbraw/zinc/69/29/33/1040692933.db2.gz DRNRIORXOJSWQS-CYBMUJFWSA-N 1 0 362.349 2.831 20 5 FFBDRO [NH3+]Cc1ccc2nnn(C3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c2c1 ZINC001254468524 1040735922 /nfs/dbraw/zinc/73/59/22/1040735922.db2.gz KSVNNKHPOZMUHU-UHFFFAOYSA-N 1 0 352.398 2.640 20 5 FFBDRO CCCCC[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C(=O)NC ZINC001254467615 1040736033 /nfs/dbraw/zinc/73/60/33/1040736033.db2.gz BZEDTCPOLOBCRK-SFHVURJKSA-N 1 0 362.474 2.848 20 5 FFBDRO COC(=O)[C@@H]1CCC[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254472666 1040738566 /nfs/dbraw/zinc/73/85/66/1040738566.db2.gz IXYZFRFTOMUOOQ-ZBFHGGJFSA-N 1 0 361.442 2.885 20 5 FFBDRO COC(=O)[C@H]1C[C@H](C)C[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254479889 1040745903 /nfs/dbraw/zinc/74/59/03/1040745903.db2.gz PFXNHPWZAAPREY-GJZGRUSLSA-N 1 0 361.442 2.695 20 5 FFBDRO COC(=O)c1cc(NC(=O)c2ccc3c[nH+]cn3c2C)cc([N+](=O)[O-])c1 ZINC001254535155 1040784904 /nfs/dbraw/zinc/78/49/04/1040784904.db2.gz AQTIRECMPBTKTJ-UHFFFAOYSA-N 1 0 354.322 2.590 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCN1CCN(c2ccccc2)CC1 ZINC001254537934 1040787516 /nfs/dbraw/zinc/78/75/16/1040787516.db2.gz KETDKRZLQKZPIO-SFHVURJKSA-N 1 0 368.481 2.938 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1(c2cnccn2)CCOCC1 ZINC001254547750 1040790357 /nfs/dbraw/zinc/79/03/57/1040790357.db2.gz WELCSFHQBPFXNY-OAHLLOKOSA-N 1 0 356.426 2.654 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccnc(OC2CCOCC2)n1 ZINC001254549614 1040792607 /nfs/dbraw/zinc/79/26/07/1040792607.db2.gz UQDBNJHDBMOJGW-AWEZNQCLSA-N 1 0 372.425 2.663 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](NC(=O)c2ccccn2)C1 ZINC001254568423 1040805135 /nfs/dbraw/zinc/80/51/35/1040805135.db2.gz FRXBQXXMLJEDSE-DOTOQJQBSA-N 1 0 368.437 2.815 20 5 FFBDRO CC(C)(C)OC(=O)N1CC(C)(C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254567386 1040806454 /nfs/dbraw/zinc/80/64/54/1040806454.db2.gz NDXMSQYZMBRIJR-HNNXBMFYSA-N 1 0 361.442 2.909 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](NC(=O)c2ccncc2)C1 ZINC001254568507 1040806477 /nfs/dbraw/zinc/80/64/77/1040806477.db2.gz GJYXQNCTIGCXPS-MAUKXSAKSA-N 1 0 368.437 2.815 20 5 FFBDRO CC(C)(C)OC(=O)N1C[C@H]2[C@H](C[C@@H]2[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254575421 1040809923 /nfs/dbraw/zinc/80/99/23/1040809923.db2.gz QRIPQMVWIJAQKX-FZCLSBEQSA-N 1 0 373.453 2.907 20 5 FFBDRO COc1ccc2c(c1)NC(=O)C[C@H]2C[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254579603 1040811706 /nfs/dbraw/zinc/81/17/06/1040811706.db2.gz UGUKTNYAJOXLCY-LSDHHAIUSA-N 1 0 367.405 2.786 20 5 FFBDRO COC(=O)C[C@@H]([NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1cccc(O)c1 ZINC001254580498 1040812838 /nfs/dbraw/zinc/81/28/38/1040812838.db2.gz FYUOXLLOTLYTMX-CRAIPNDOSA-N 1 0 356.378 2.662 20 5 FFBDRO COc1ccccc1CN1CC[C@H]([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254586919 1040818112 /nfs/dbraw/zinc/81/81/12/1040818112.db2.gz TWNOMADXDZFETG-OALUTQOASA-N 1 0 367.449 2.935 20 5 FFBDRO COc1ccc2c(c1)OC[C@@H](C[NH2+][C@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254588665 1040819533 /nfs/dbraw/zinc/81/95/33/1040819533.db2.gz HMIUPPFHWCIZHX-DYVFJYSZSA-N 1 0 354.406 2.912 20 5 FFBDRO O=C1CCC2(CC[NH+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC2)N1CC1CC1 ZINC001254596042 1040824926 /nfs/dbraw/zinc/82/49/26/1040824926.db2.gz MJIBRPHFSNEMFI-IBGZPJMESA-N 1 0 369.465 2.929 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH+]1C[C@@H]3CN(Cc4ccccn4)C[C@H]3C1)C2 ZINC001254596678 1040825073 /nfs/dbraw/zinc/82/50/73/1040825073.db2.gz QETVJCVPVMIFKN-BBTUJRGHSA-N 1 0 364.449 2.521 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CC[NH+](CCc3ccccc3)CC1)C2 ZINC001254600760 1040831780 /nfs/dbraw/zinc/83/17/80/1040831780.db2.gz RHPYQNNESWXRIU-OAQYLSRUSA-N 1 0 351.450 2.922 20 5 FFBDRO CC(C)(C)OC(=O)N1C[C@H]2C[N@@H+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@H]21 ZINC001254610637 1040839535 /nfs/dbraw/zinc/83/95/35/1040839535.db2.gz LWUUXAVMBHRENC-HYVNUMGLSA-N 1 0 359.426 2.613 20 5 FFBDRO CC[NH+](CC)C1CCN(S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)CC1 ZINC001254753061 1040932168 /nfs/dbraw/zinc/93/21/68/1040932168.db2.gz DTMGCZAACUEIFZ-UHFFFAOYSA-N 1 0 369.487 2.707 20 5 FFBDRO C[NH+]1CCN(c2cccc3[nH]c(Cc4cccc([N+](=O)[O-])c4)nc32)CC1 ZINC001250594170 1041263088 /nfs/dbraw/zinc/26/30/88/1041263088.db2.gz BFKBJYQFZPWABD-UHFFFAOYSA-N 1 0 351.410 2.814 20 5 FFBDRO C[C@@H](CNC(=O)NCc1cc(N(C)C)cc[nH+]1)c1ccccc1[N+](=O)[O-] ZINC001255468885 1041355968 /nfs/dbraw/zinc/35/59/68/1041355968.db2.gz YHSQHOOMEQKWFW-ZDUSSCGKSA-N 1 0 357.414 2.659 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC001261905216 1041468554 /nfs/dbraw/zinc/46/85/54/1041468554.db2.gz DMJHLIBSBUFIRA-UHFFFAOYSA-N 1 0 369.425 2.611 20 5 FFBDRO C[C@@H](NC(=O)c1ccccc1N1CC[NH+](C)CC1)c1ccccc1[N+](=O)[O-] ZINC001262005920 1041507985 /nfs/dbraw/zinc/50/79/85/1041507985.db2.gz SATKNMXNTOWXGH-OAHLLOKOSA-N 1 0 368.437 2.838 20 5 FFBDRO CCOc1ccc(C(=O)N2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC001262808398 1041870058 /nfs/dbraw/zinc/87/00/58/1041870058.db2.gz BCULIQYXQCMNBS-ARFHVFGLSA-N 1 0 361.442 2.796 20 5 FFBDRO CC(C)[N@@H+]1CCCN(c2nnc(-c3ccc([N+](=O)[O-])o3)n2CC2CC2)CC1 ZINC001263677333 1042431885 /nfs/dbraw/zinc/43/18/85/1042431885.db2.gz NQHPYVQZXQPMEC-UHFFFAOYSA-N 1 0 374.445 2.777 20 5 FFBDRO CCOc1cc(NC(=O)N[C@H]2CC[N@H+](C)[C@@H]2C)c([N+](=O)[O-])cc1OCC ZINC001309999359 1043621391 /nfs/dbraw/zinc/62/13/91/1043621391.db2.gz BIEXEXYXHKCTRY-NEPJUHHUSA-N 1 0 366.418 2.606 20 5 FFBDRO COCC[C@]1([NH2+]Cc2ccc([N+](=O)[O-])cc2Br)CCOC1 ZINC001320876444 1045486715 /nfs/dbraw/zinc/48/67/15/1045486715.db2.gz NZMRXRUVRNQGJL-AWEZNQCLSA-N 1 0 359.220 2.643 20 5 FFBDRO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC001324123617 1045878979 /nfs/dbraw/zinc/87/89/79/1045878979.db2.gz CAANRIMCZMBXLR-KBPBESRZSA-N 1 0 370.247 2.960 20 5 FFBDRO O=[N+]([O-])c1ccccc1C1=NO[C@@H](c2nc([C@H]3C[NH+]4CCC3CC4)no2)C1 ZINC001325471717 1046519539 /nfs/dbraw/zinc/51/95/39/1046519539.db2.gz ZSZHWOCKSKCQCE-XJKSGUPXSA-N 1 0 369.381 2.653 20 5 FFBDRO CC[C@H]1C[N@H+](CC)CCN1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC001325525621 1046539842 /nfs/dbraw/zinc/53/98/42/1046539842.db2.gz JFXMDOWZYGPKRY-ZDUSSCGKSA-N 1 0 354.838 2.603 20 5 FFBDRO CS(=O)(=O)c1ccc(C[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)o1 ZINC001331382619 1047904223 /nfs/dbraw/zinc/90/42/23/1047904223.db2.gz MNZCRQXTGMJVGN-UHFFFAOYSA-N 1 0 352.412 2.704 20 5 FFBDRO CCC1([NH3+])CCN(C(=O)CSCc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC001331410329 1047920061 /nfs/dbraw/zinc/92/00/61/1047920061.db2.gz RJZWCDMXGAIPRK-UHFFFAOYSA-N 1 0 367.471 2.567 20 5 FFBDRO O=C(Nc1ccc2c(c1F)CC[NH2+]C2)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001331434745 1047932728 /nfs/dbraw/zinc/93/27/28/1047932728.db2.gz RIMXHZWESQEQDC-UHFFFAOYSA-N 1 0 356.357 2.927 20 5 FFBDRO CN1CC[C@@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)[C@@H]1c1ccc(F)cc1 ZINC001332990951 1048661860 /nfs/dbraw/zinc/66/18/60/1048661860.db2.gz ANJQYOFGFFGLDT-UQVLAFNGSA-N 1 0 359.405 2.669 20 5 FFBDRO O=[N+]([O-])c1ccc(CN2CC[C@H]3CC[C@@H](C2)[S@@]3=O)c(Br)c1 ZINC001329357298 1048683118 /nfs/dbraw/zinc/68/31/18/1048683118.db2.gz OGTPJQNQRLNKFC-RRMDADRESA-N 1 0 373.272 2.843 20 5 FFBDRO COc1c(O)ccc(C[NH2+]C[C@H]2CCN(c3ccccc3)C2)c1[N+](=O)[O-] ZINC001333658117 1049034218 /nfs/dbraw/zinc/03/42/18/1049034218.db2.gz MZCHCMKTJBWAES-CQSZACIVSA-N 1 0 357.410 2.925 20 5 FFBDRO C[NH+](C)CC(C)(C)C1CCN(C(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC001334154805 1049280147 /nfs/dbraw/zinc/28/01/47/1049280147.db2.gz GMNJVWDWWPCACJ-UHFFFAOYSA-N 1 0 363.458 2.800 20 5 FFBDRO CC1(C)[C@@H]2[NH2+]CCC[C@H]2[C@@H]1NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC001330916933 1049390991 /nfs/dbraw/zinc/39/09/91/1049390991.db2.gz ILFASFLDDPEAIU-GTTSAUCSSA-N 1 0 369.824 2.823 20 5 FFBDRO O=C(NC[C@H]1CCCCC[NH2+]1)c1c(Br)cccc1[N+](=O)[O-] ZINC001342207781 1050800951 /nfs/dbraw/zinc/80/09/51/1050800951.db2.gz ZCNCRKBHHODKRA-SNVBAGLBSA-N 1 0 356.220 2.619 20 5 FFBDRO [NH3+][C@@H]1CN(C(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C[C@H]1c1ccccc1 ZINC001340923708 1051252303 /nfs/dbraw/zinc/25/23/03/1051252303.db2.gz TXLLJHVYYTVUTD-CADBVGFASA-N 1 0 351.406 2.652 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1C[C@H](C[C@@H]2COCC[NH2+]2)c2ccccc21 ZINC001341360672 1051718916 /nfs/dbraw/zinc/71/89/16/1051718916.db2.gz QFMZDLFFTSYLGQ-JKSUJKDBSA-N 1 0 367.405 2.717 20 5 FFBDRO C[C@@H]1C[NH2+][C@@H](C)[C@@H](C)N1C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC001344845487 1052058587 /nfs/dbraw/zinc/05/85/87/1052058587.db2.gz BRDAWFRTFDLBLL-OWCLPIDISA-N 1 0 363.461 2.752 20 5 FFBDRO C[NH+](C)C[C@@]1(O)CCCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)C1 ZINC001307152440 1052259075 /nfs/dbraw/zinc/25/90/75/1052259075.db2.gz BWPCVJATTSDKFH-IBGZPJMESA-N 1 0 374.416 2.689 20 5 FFBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1C[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC001307929414 1052367290 /nfs/dbraw/zinc/36/72/90/1052367290.db2.gz YHXWIMKBHPTTEV-ZGMNHVEMSA-N 1 0 358.398 2.799 20 5 FFBDRO CC[N@H+](CCNC(=O)OC(C)(C)C)CCOc1ccc([N+](=O)[O-])cc1 ZINC001307935977 1052368167 /nfs/dbraw/zinc/36/81/67/1052368167.db2.gz GFCYOEYDMMXBSL-UHFFFAOYSA-N 1 0 353.419 2.820 20 5 FFBDRO CN(CCOCCNC(=O)OC(C)(C)C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001307992232 1052378131 /nfs/dbraw/zinc/37/81/31/1052378131.db2.gz PPMYOOZGACFUSL-UHFFFAOYSA-N 1 0 371.409 2.707 20 5 FFBDRO CC(C)(C)OC(=O)N[C@@H]1CCCCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC001307994212 1052379152 /nfs/dbraw/zinc/37/91/52/1052379152.db2.gz ZWHBFEUWFWYEFJ-CQSZACIVSA-N 1 0 367.450 2.561 20 5 FFBDRO C[C@@H](c1ccccc1)[NH+]1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC001308039244 1052389746 /nfs/dbraw/zinc/38/97/46/1052389746.db2.gz JSGAPEHAXYVDHB-INIZCTEOSA-N 1 0 368.437 2.912 20 5 FFBDRO C[C@@H]([NH2+]CCOCCNC(=O)OC(C)(C)C)c1ccccc1[N+](=O)[O-] ZINC001308049179 1052393242 /nfs/dbraw/zinc/39/32/42/1052393242.db2.gz BTAFALYEGLFNFK-CYBMUJFWSA-N 1 0 353.419 2.787 20 5 FFBDRO CC[C@H]1CCC[C@@H]([NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001308259258 1052438626 /nfs/dbraw/zinc/43/86/26/1052438626.db2.gz PEBUEKBPVPUCHX-LSDHHAIUSA-N 1 0 369.487 2.822 20 5 FFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@@H+]1CCC[C@H]1CN1CCOCC1 ZINC001308578992 1052472275 /nfs/dbraw/zinc/47/22/75/1052472275.db2.gz WHFCELZBXKQCNS-HNNXBMFYSA-N 1 0 373.375 2.910 20 5 FFBDRO COC(=O)[C@@H]1[C@@H](C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1(F)F ZINC001308774214 1052497979 /nfs/dbraw/zinc/49/79/79/1052497979.db2.gz QTDPQVVMCINCAI-YUELXQCFSA-N 1 0 354.353 2.829 20 5 FFBDRO COc1ccc(-c2cc(C[NH2+]C3CC(n4cc([N+](=O)[O-])cn4)C3)on2)cc1 ZINC001308860704 1052509324 /nfs/dbraw/zinc/50/93/24/1052509324.db2.gz QUKJJJAGKGVRDY-UHFFFAOYSA-N 1 0 369.381 2.948 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)c3cc(Cl)c(N)c([N+](=O)[O-])c3)C[C@H]2C1 ZINC001334848990 1053113663 /nfs/dbraw/zinc/11/36/63/1053113663.db2.gz KAMPSZFBCXTZRM-RAIGVLPGSA-N 1 0 366.849 2.633 20 5 FFBDRO C[C@@](O)(C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1Cl ZINC001335412611 1053347697 /nfs/dbraw/zinc/34/76/97/1053347697.db2.gz PYWBMHJFXLPZDO-IAGOWNOFSA-N 1 0 350.802 2.779 20 5 FFBDRO C[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cn1 ZINC001335484678 1053394361 /nfs/dbraw/zinc/39/43/61/1053394361.db2.gz ZHBVHGVSMCPBQT-FZMZJTMJSA-N 1 0 351.790 2.734 20 5 FFBDRO C[C@H](CNC(=O)N1CCCC2(CC[NH2+]CC2)C1)c1ccccc1[N+](=O)[O-] ZINC001336255918 1053875023 /nfs/dbraw/zinc/87/50/23/1053875023.db2.gz NIVAXEOGBAHKIG-OAHLLOKOSA-N 1 0 360.458 2.874 20 5 FFBDRO CC[NH+](CC)CC[C@@H](NC(=O)c1c([N+](=O)[O-])cnn1C)c1ccccc1 ZINC001347647689 1054190758 /nfs/dbraw/zinc/19/07/58/1054190758.db2.gz WWFJYLGIBFTBEO-OAHLLOKOSA-N 1 0 359.430 2.531 20 5 FFBDRO O=C(NC[C@]12CCC[C@H]1[NH2+]CC2)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001336976864 1054380390 /nfs/dbraw/zinc/38/03/90/1054380390.db2.gz HGBOZSYAHYKYOM-IEBWSBKVSA-N 1 0 358.442 2.801 20 5 FFBDRO Cc1ccc(NC(=O)C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c(Cl)c1 ZINC001336998776 1054401125 /nfs/dbraw/zinc/40/11/25/1054401125.db2.gz YXZHHACVQSZILN-MRXNPFEDSA-N 1 0 363.801 2.818 20 5 FFBDRO Cc1c(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)ccc2c[nH+]cn21 ZINC001337342646 1054673235 /nfs/dbraw/zinc/67/32/35/1054673235.db2.gz DDKDNIIMILQAEB-UHFFFAOYSA-N 1 0 365.393 2.513 20 5 FFBDRO CC[NH+](CC)CC[C@@H](NC(=O)Cn1c(C)ncc1[N+](=O)[O-])c1ccccc1 ZINC001337878535 1055079474 /nfs/dbraw/zinc/07/94/74/1055079474.db2.gz UJAWYIJDNQRZGQ-QGZVFWFLSA-N 1 0 373.457 2.689 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)Cc3ccc([N+](=O)[O-])cc3Cl)C[C@H]2C1 ZINC001337907140 1055094828 /nfs/dbraw/zinc/09/48/28/1055094828.db2.gz KMMUTGQSVRCTQP-RBSFLKMASA-N 1 0 365.861 2.979 20 5 FFBDRO CCOC(=O)c1cc(-c2nc([C@H]3C[NH+]4CCC3CC4)no2)cc([N+](=O)[O-])c1 ZINC001337927900 1055109021 /nfs/dbraw/zinc/10/90/21/1055109021.db2.gz CLFDSGHUQRLWLW-HNNXBMFYSA-N 1 0 372.381 2.631 20 5 FFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC001338031444 1055182637 /nfs/dbraw/zinc/18/26/37/1055182637.db2.gz NYJKCSXUMIINFX-CQSZACIVSA-N 1 0 370.400 2.760 20 5 FFBDRO O=[N+]([O-])c1ccc(C(F)(F)F)cc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001356499995 1055538823 /nfs/dbraw/zinc/53/88/23/1055538823.db2.gz XQBKMAHWHMYPIR-GFCCVEGCSA-N 1 0 359.348 2.772 20 5 FFBDRO CN(C)c1ccc(NC(=O)CC[NH2+]CCNc2ccc([N+](=O)[O-])cc2)cc1 ZINC001356532138 1055559265 /nfs/dbraw/zinc/55/92/65/1055559265.db2.gz ITPAOPLVINIYRA-UHFFFAOYSA-N 1 0 371.441 2.691 20 5 FFBDRO CCN(C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H]1CC[NH2+]C1 ZINC001350205572 1055674760 /nfs/dbraw/zinc/67/47/60/1055674760.db2.gz YWATZVJKZMCXCH-LBPRGKRZSA-N 1 0 360.336 2.507 20 5 FFBDRO Cc1cc(NC(=O)N2CCC([NH2+]C3CCOCC3)CC2)cc([N+](=O)[O-])c1 ZINC001350263114 1055698928 /nfs/dbraw/zinc/69/89/28/1055698928.db2.gz VHIJOXNICCOHIA-UHFFFAOYSA-N 1 0 362.430 2.668 20 5 FFBDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001543997504 1071579844 /nfs/dbraw/zinc/57/98/44/1071579844.db2.gz MPJSZVMPIXSIDJ-HNNXBMFYSA-N 1 0 368.437 2.914 20 5 FFBDRO C[NH2+]C[C@@H]1CCCCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001358119357 1056148201 /nfs/dbraw/zinc/14/82/01/1056148201.db2.gz MRKJUJZBQJAPFH-AWEZNQCLSA-N 1 0 360.439 2.932 20 5 FFBDRO CC(C)Oc1nc(NC2CC[NH+](C3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000603408704 1056357485 /nfs/dbraw/zinc/35/74/85/1056357485.db2.gz ODMPBIGOQZUQNH-UHFFFAOYSA-N 1 0 364.446 2.832 20 5 FFBDRO C[C@H](CNC(=O)CCc1cc(F)ccc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC001544292786 1071624069 /nfs/dbraw/zinc/62/40/69/1071624069.db2.gz VUYMHCVZEXIVQB-CQSZACIVSA-N 1 0 351.422 2.903 20 5 FFBDRO CNc1cc2c(nn1)CCN(Cc1cc([N+](=O)[O-])ccc1OC(C)C)C2 ZINC000609269787 1056416517 /nfs/dbraw/zinc/41/65/17/1056416517.db2.gz UYBREZJDTBRIBX-UHFFFAOYSA-N 1 0 357.414 2.772 20 5 FFBDRO CCn1c(-c2ccc([N+](=O)[O-])o2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001339466505 1056481665 /nfs/dbraw/zinc/48/16/65/1056481665.db2.gz GTUSPKGDNOEWHO-UHFFFAOYSA-N 1 0 362.434 2.777 20 5 FFBDRO C[C@@H](Nc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1)[C@H]1CN(C)CCO1 ZINC000619527316 1056555708 /nfs/dbraw/zinc/55/57/08/1056555708.db2.gz HHABEHLAVPCCIL-MLGOLLRUSA-N 1 0 360.389 2.927 20 5 FFBDRO CCC(CC)Nc1cc[nH+]cc1NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000848108200 1059010533 /nfs/dbraw/zinc/01/05/33/1059010533.db2.gz FRELOUFDVGEZHT-QGZVFWFLSA-N 1 0 358.398 2.684 20 5 FFBDRO Cc1n[nH]c(C(=O)N[C@@H]2c3ccccc3CC[C@H]2[NH+]2CCCC2)c1[N+](=O)[O-] ZINC001452104443 1059182414 /nfs/dbraw/zinc/18/24/14/1059182414.db2.gz DZVHPLVCAXRZNR-HZPDHXFCSA-N 1 0 369.425 2.508 20 5 FFBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H]1C[N@@H+](C)CC1(C)C ZINC001456172974 1060036946 /nfs/dbraw/zinc/03/69/46/1060036946.db2.gz FQGCVJJOZDAOGV-ZDUSSCGKSA-N 1 0 370.247 2.736 20 5 FFBDRO COc1ccc(OC)c([C@@H](O)C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000848522841 1060214813 /nfs/dbraw/zinc/21/48/13/1060214813.db2.gz YJAALBOFZSDHOU-WMZOPIPTSA-N 1 0 358.394 2.923 20 5 FFBDRO O=[N+]([O-])c1ccc(C(F)(F)F)cc1N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC001458165649 1060530003 /nfs/dbraw/zinc/53/00/03/1060530003.db2.gz LRIPEBGONFEIBZ-ZFWWWQNUSA-N 1 0 359.348 2.649 20 5 FFBDRO CC1(C)CN(c2c3cc(Cl)ccc3ncc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC001458321419 1060565016 /nfs/dbraw/zinc/56/50/16/1060565016.db2.gz HUEZSIXRIPCBGT-UHFFFAOYSA-N 1 0 364.833 2.689 20 5 FFBDRO Nc1nc(N[C@@H]2CCCCC[N@H+](Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC001458536591 1060615386 /nfs/dbraw/zinc/61/53/86/1060615386.db2.gz PBBJGTOEDRAMDF-OAHLLOKOSA-N 1 0 356.430 2.824 20 5 FFBDRO O=[N+]([O-])c1cnc(N2CC[NH2+][C@H](Cc3ccc(F)cc3)C2)c(Cl)c1 ZINC001458719682 1060654118 /nfs/dbraw/zinc/65/41/18/1060654118.db2.gz BNCHVPAKAWIMGG-CYBMUJFWSA-N 1 0 350.781 2.803 20 5 FFBDRO O=C(COC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000848774734 1060660758 /nfs/dbraw/zinc/66/07/58/1060660758.db2.gz QZCPCYPKWWXMEY-KRWDZBQOSA-N 1 0 368.389 2.843 20 5 FFBDRO O=C(COC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000848774849 1060661485 /nfs/dbraw/zinc/66/14/85/1060661485.db2.gz NYFDKYZYOLVAQR-KRWDZBQOSA-N 1 0 368.389 2.843 20 5 FFBDRO COC(=O)[C@H](Cc1ccccc1)[C@H](C)[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC001460098111 1060895770 /nfs/dbraw/zinc/89/57/70/1060895770.db2.gz VBNCPEWYTIFBLQ-HNAYVOBHSA-N 1 0 372.421 2.984 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCC[C@H](C)[NH+]2CCCCC2)cc1F ZINC001475187037 1060988278 /nfs/dbraw/zinc/98/82/78/1060988278.db2.gz XWXNPHWMNBSLOV-ZDUSSCGKSA-N 1 0 373.450 2.585 20 5 FFBDRO C[N@H+](CCOCCNC(=O)OC(C)(C)C)Cc1cccc([N+](=O)[O-])c1 ZINC001460602565 1061028261 /nfs/dbraw/zinc/02/82/61/1061028261.db2.gz HUZZMMAMHRSHGH-UHFFFAOYSA-N 1 0 353.419 2.568 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC001475502699 1061117277 /nfs/dbraw/zinc/11/72/77/1061117277.db2.gz IMXOAENFMMMAIO-INIZCTEOSA-N 1 0 367.471 2.589 20 5 FFBDRO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1N)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001546208131 1061310275 /nfs/dbraw/zinc/31/02/75/1061310275.db2.gz GMCQQGRNPUGWEX-GDBMZVCRSA-N 1 0 368.437 2.817 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]Cc2cccc3ncccc23)cc1 ZINC001461424455 1061317156 /nfs/dbraw/zinc/31/71/56/1061317156.db2.gz XTEUPDAHJGDQQX-UHFFFAOYSA-N 1 0 371.418 2.707 20 5 FFBDRO C[C@H]([NH2+][C@H]1COCCN(C(=O)OC(C)(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC001462577868 1061680009 /nfs/dbraw/zinc/68/00/09/1061680009.db2.gz JDBBVLFKINWVBW-DZGCQCFKSA-N 1 0 365.430 2.881 20 5 FFBDRO COC(=O)C1CCC([NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC001462631715 1061699000 /nfs/dbraw/zinc/69/90/00/1061699000.db2.gz BSDLXSSKAWWUBK-IYXRBSQSSA-N 1 0 363.414 2.633 20 5 FFBDRO [NH3+]Cc1ccc2c(c1)N(C(=O)CCc1cc(F)ccc1[N+](=O)[O-])CCO2 ZINC001522247497 1061802196 /nfs/dbraw/zinc/80/21/96/1061802196.db2.gz CTZLGIXESIVTLU-UHFFFAOYSA-N 1 0 359.357 2.551 20 5 FFBDRO O=C(NCc1ccc2c[nH+]cn2c1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC001478206943 1061941624 /nfs/dbraw/zinc/94/16/24/1061941624.db2.gz JACJBQYSMQCDKJ-UHFFFAOYSA-N 1 0 359.773 2.895 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)n1 ZINC001464876129 1062888212 /nfs/dbraw/zinc/88/82/12/1062888212.db2.gz YSXTXVUCBKRCQR-QGZVFWFLSA-N 1 0 368.437 2.593 20 5 FFBDRO CCCC[N@H+](C)CC1CCN(C(=O)c2[nH]nc([N+](=O)[O-])c2Cl)CC1 ZINC001464893405 1062897319 /nfs/dbraw/zinc/89/73/19/1062897319.db2.gz YMINPILFIXSNRD-UHFFFAOYSA-N 1 0 357.842 2.555 20 5 FFBDRO CN(C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1N)c1ccccc1Cl ZINC001440374226 1063298433 /nfs/dbraw/zinc/29/84/33/1063298433.db2.gz LDYTWADFIVQXST-MRXNPFEDSA-N 1 0 362.817 2.863 20 5 FFBDRO C[C@@H](CNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N)[N@@H+]1CCCC[C@H]1C ZINC001441491723 1063446791 /nfs/dbraw/zinc/44/67/91/1063446791.db2.gz HACSXYXWKJUTBJ-ZJUUUORDSA-N 1 0 372.828 2.962 20 5 FFBDRO O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)NC1CC[NH+](CC2CC2)CC1 ZINC001441764715 1063470930 /nfs/dbraw/zinc/47/09/30/1063470930.db2.gz HZTVNSRGQQZTHL-UHFFFAOYSA-N 1 0 351.834 2.781 20 5 FFBDRO O=C(NC[C@@H]1C[NH+]2CCC1CC2)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001472234198 1064979468 /nfs/dbraw/zinc/97/94/68/1064979468.db2.gz YQNGZFMAOJELSN-SNVBAGLBSA-N 1 0 358.225 2.973 20 5 FFBDRO Cn1cc([N+](=O)[O-])c(Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)n1 ZINC001472667995 1065124434 /nfs/dbraw/zinc/12/44/34/1065124434.db2.gz GNAWSUGCLAHEGF-UHFFFAOYSA-N 1 0 356.430 2.604 20 5 FFBDRO CC(C)Oc1cc(C(=O)N2C[C@@H]([NH3+])Cc3ccccc32)ccc1[N+](=O)[O-] ZINC001575799736 1078168938 /nfs/dbraw/zinc/16/89/38/1078168938.db2.gz YEKAFPVIYGYDIT-HNNXBMFYSA-N 1 0 355.394 2.912 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@H](Cn2ccnc2)c2ccccc2)cc1 ZINC001473748184 1065343752 /nfs/dbraw/zinc/34/37/52/1065343752.db2.gz WLJZDVREEMSSNX-MOPGFXCFSA-N 1 0 352.394 2.856 20 5 FFBDRO COc1ccc(OCC[NH2+][C@@]2(c3ccccc3)C[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC001473776590 1065357071 /nfs/dbraw/zinc/35/70/71/1065357071.db2.gz MZEITAKRXFMCDL-GLRZTSSQSA-N 1 0 358.394 2.622 20 5 FFBDRO Cc1ccc([C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2C)N2CCOCC2)o1 ZINC001473918337 1065418382 /nfs/dbraw/zinc/41/83/82/1065418382.db2.gz QEYOTKWXHXXXSU-SFHVURJKSA-N 1 0 359.426 2.968 20 5 FFBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2ccc(OCC(F)(F)F)c(F)c2)c1 ZINC001474054694 1065446785 /nfs/dbraw/zinc/44/67/85/1065446785.db2.gz QKZBOZNITSSAJK-UHFFFAOYSA-N 1 0 362.283 2.661 20 5 FFBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NCc1c(Br)cccc1[N+](=O)[O-] ZINC001474060807 1065448748 /nfs/dbraw/zinc/44/87/48/1065448748.db2.gz BJPMDCKOBHMODW-HZMBPMFUSA-N 1 0 354.248 2.930 20 5 FFBDRO C[C@@H]1C[NH2+][C@@H](C)[C@H](C)N1C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC001576878709 1078284250 /nfs/dbraw/zinc/28/42/50/1078284250.db2.gz IUDGKPMDXDWOOP-WOPDTQHZSA-N 1 0 355.822 2.614 20 5 FFBDRO CCOc1cc(NC(=O)[C@H]([NH3+])Cc2cccc(OC)c2)ccc1[N+](=O)[O-] ZINC001578168471 1078446025 /nfs/dbraw/zinc/44/60/25/1078446025.db2.gz PKUNBSRZLXJNRT-OAHLLOKOSA-N 1 0 359.382 2.511 20 5 FFBDRO C[NH2+][C@@H](CNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)Cc1ccccc1 ZINC001578590430 1078496156 /nfs/dbraw/zinc/49/61/56/1078496156.db2.gz SUYWEOGIVQXWLG-DZGCQCFKSA-N 1 0 359.401 2.784 20 5 FFBDRO COc1cccc([C@H]2C[NH2+]CCN2Cc2cc([N+](=O)[O-])ccc2OC)c1 ZINC001579269174 1078606768 /nfs/dbraw/zinc/60/67/68/1078606768.db2.gz PAYMDVCJITWAOS-GOSISDBHSA-N 1 0 357.410 2.759 20 5 FFBDRO COc1cccc2c1CC[C@@]2([NH3+])C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001579291938 1078611509 /nfs/dbraw/zinc/61/15/09/1078611509.db2.gz UTVQGFPROVQIBU-BLVKFPJESA-N 1 0 355.394 2.581 20 5 FFBDRO Cc1c(Br)cc(C(=O)N2CC[C@H]([NH3+])C[C@@H]2C)cc1[N+](=O)[O-] ZINC001579516135 1078638278 /nfs/dbraw/zinc/63/82/78/1078638278.db2.gz GLLGAFLUYBDATF-KWQFWETISA-N 1 0 356.220 2.618 20 5 FFBDRO Cc1cc(NC(=O)C2(C3CC[NH2+]CC3)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC001579625787 1078651501 /nfs/dbraw/zinc/65/15/01/1078651501.db2.gz DAHVLVPFSFEHNG-UHFFFAOYSA-N 1 0 354.410 2.592 20 5 FFBDRO [NH3+][C@H]1CCc2ncc(NC(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)cc2C1 ZINC001580206490 1078765048 /nfs/dbraw/zinc/76/50/48/1078765048.db2.gz CEXJKOMHRUZOOM-NSHDSACASA-N 1 0 351.366 2.539 20 5 FFBDRO [NH3+]C[C@@]12CN(C(=O)C3(c4ccc([N+](=O)[O-])cc4)CCC3)C[C@@H]1CCCC2 ZINC001580253841 1078775796 /nfs/dbraw/zinc/77/57/96/1078775796.db2.gz TVVIJJFKTIZLFQ-LPHOPBHVSA-N 1 0 357.454 2.994 20 5 FFBDRO [NH3+][C@@H]1CN(Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@H]1c1cccc(F)c1 ZINC001580395463 1078797979 /nfs/dbraw/zinc/79/79/79/1078797979.db2.gz MWHOYRKAMZYIQE-SUMWQHHRSA-N 1 0 351.328 2.939 20 5 FFBDRO CON(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[N@H+](C)C1CCCC1 ZINC001555761069 1075679173 /nfs/dbraw/zinc/67/91/73/1075679173.db2.gz JEQJPWJIZFKJOU-UHFFFAOYSA-N 1 0 374.445 2.725 20 5 FFBDRO C[C@@H]1C[C@@H]2CC[C@@H](C(=O)NCc3cc([N+](=O)[O-])c(F)cc3F)C[N@@H+]2C1 ZINC001557207955 1075822335 /nfs/dbraw/zinc/82/23/35/1075822335.db2.gz GLOGPCTUGLUVII-WZRBSPASSA-N 1 0 353.369 2.610 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](CC[NH+](C)C)C2)cc1SC ZINC001558294536 1075974332 /nfs/dbraw/zinc/97/43/32/1075974332.db2.gz WJWVFOWSNRMEJN-GFCCVEGCSA-N 1 0 367.471 2.739 20 5 FFBDRO Nc1cc(CCCCNC(=O)CCNc2ccccc2[N+](=O)[O-])cc[nH+]1 ZINC001558884094 1076097905 /nfs/dbraw/zinc/09/79/05/1076097905.db2.gz NFBUXOVEULGQLP-UHFFFAOYSA-N 1 0 357.414 2.513 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@H]1CNc1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-] ZINC001559235062 1076137752 /nfs/dbraw/zinc/13/77/52/1076137752.db2.gz IUZFHAMITAWPIN-LBPRGKRZSA-N 1 0 359.386 2.758 20 5 FFBDRO Nc1nc(N[C@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001559300481 1076147949 /nfs/dbraw/zinc/14/79/49/1076147949.db2.gz RQBLICGGBFDYLZ-PMPSAXMXSA-N 1 0 368.441 2.680 20 5 FFBDRO CCC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@@H](C)C(=O)OCC ZINC001559806414 1076192787 /nfs/dbraw/zinc/19/27/87/1076192787.db2.gz VHBBMRCBIXHCRM-AWEZNQCLSA-N 1 0 365.430 2.895 20 5 FFBDRO CCOc1ccccc1OCC[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001560066400 1076220693 /nfs/dbraw/zinc/22/06/93/1076220693.db2.gz SZNLCIZQUAVINM-LJQANCHMSA-N 1 0 360.410 2.870 20 5 FFBDRO COC(=O)CC[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001560116640 1076230045 /nfs/dbraw/zinc/23/00/45/1076230045.db2.gz FRPZEOZSICESOT-LBPRGKRZSA-N 1 0 351.359 2.668 20 5 FFBDRO CCc1noc([C@H]2CC[C@H]([NH2+]Cc3cc(OC)c(O)cc3[N+](=O)[O-])C2)n1 ZINC001560608768 1076283458 /nfs/dbraw/zinc/28/34/58/1076283458.db2.gz DNQXMPIUTZNVIM-JQWIXIFHSA-N 1 0 362.386 2.680 20 5 FFBDRO CCc1ccc(S(=O)(=O)NCC[NH+](C(C)C)C(C)C)cc1[N+](=O)[O-] ZINC001561084689 1076330519 /nfs/dbraw/zinc/33/05/19/1076330519.db2.gz ZXQXIFLIQWZTMW-UHFFFAOYSA-N 1 0 357.476 2.554 20 5 FFBDRO Cc1cc(S(=O)(=O)NCC[N@@H+](C)C2CCCCC2)c(C)cc1[N+](=O)[O-] ZINC001561170359 1076342143 /nfs/dbraw/zinc/34/21/43/1076342143.db2.gz FZSJIMKBULDZAG-UHFFFAOYSA-N 1 0 369.487 2.754 20 5 FFBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001561350440 1076366429 /nfs/dbraw/zinc/36/64/29/1076366429.db2.gz KNHKNPNTDANAFQ-MJBXVCDLSA-N 1 0 369.487 2.548 20 5 FFBDRO C[NH+](C)CCC1CCN(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC001565610988 1076746519 /nfs/dbraw/zinc/74/65/19/1076746519.db2.gz PGFHUOPHRMYBFW-UHFFFAOYSA-N 1 0 353.850 2.981 20 5 FFBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC001586784935 1079685731 /nfs/dbraw/zinc/68/57/31/1079685731.db2.gz ZZXQFXVQPFJBNC-MRXNPFEDSA-N 1 0 351.422 2.903 20 5 FFBDRO CC(C)(C)[NH+]1CCC(Nc2cc(F)c(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC001589135527 1080381263 /nfs/dbraw/zinc/38/12/63/1080381263.db2.gz LGDFMSXJOQTUQK-UHFFFAOYSA-N 1 0 363.397 2.589 20 5 FFBDRO C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001590166170 1081065637 /nfs/dbraw/zinc/06/56/37/1081065637.db2.gz VTLCRCUSEVJLBZ-KWQFWETISA-N 1 0 356.308 2.548 20 5 FFBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(c2ccc(-c3nn[nH]n3)c([N+](=O)[O-])c2)C1 ZINC001590227878 1081108729 /nfs/dbraw/zinc/10/87/29/1081108729.db2.gz TYEXLYDSSSQAKE-VNHYZAJKSA-N 1 0 371.445 2.617 20 5 FFBDRO COc1ccc(NC(=O)CC[N@@H+]2CCS[C@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000411283158 512561248 /nfs/dbraw/zinc/56/12/48/512561248.db2.gz YNWNCYDEWCXVSO-VXGBXAGGSA-N 1 0 353.444 2.758 20 5 FFBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000109286421 209302872 /nfs/dbraw/zinc/30/28/72/209302872.db2.gz QLNPDCZVFROJDF-HUUCEWRRSA-N 1 0 371.441 2.631 20 5 FFBDRO COc1cc(C[NH2+]C[C@@]2(C)CCO[C@H]2C2CC2)c([N+](=O)[O-])cc1OC ZINC000372983627 512117972 /nfs/dbraw/zinc/11/79/72/512117972.db2.gz URYXVSQFEUIZDA-ZWKOTPCHSA-N 1 0 350.415 2.907 20 5 FFBDRO O=[N+]([O-])c1cnc(NCCc2ccc(OCC[NH+]3CCCC3)cc2)nc1 ZINC000544845023 541841616 /nfs/dbraw/zinc/84/16/16/541841616.db2.gz NTJFBBGCGGZFDG-UHFFFAOYSA-N 1 0 357.414 2.514 20 5 FFBDRO C[N@@H+]1CCCN(C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000096952891 209164813 /nfs/dbraw/zinc/16/48/13/209164813.db2.gz YHSMVYPTTDJOLV-UHFFFAOYSA-N 1 0 374.363 2.580 20 5 FFBDRO CC1CC[NH+](CCCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000018063066 206745853 /nfs/dbraw/zinc/74/58/53/206745853.db2.gz LYWZLKVOUYAFOQ-UHFFFAOYSA-N 1 0 355.460 2.532 20 5 FFBDRO O=[N+]([O-])c1cc(Br)cnc1N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000130873092 250943267 /nfs/dbraw/zinc/94/32/67/250943267.db2.gz WNWIDMFGNDLLHT-NSHDSACASA-N 1 0 355.236 2.674 20 5 FFBDRO COc1cc(C[NH2+]C[C@@H](C)C[C@H](C)O)c([N+](=O)[O-])cc1OCC(F)F ZINC000272388165 252025890 /nfs/dbraw/zinc/02/58/90/252025890.db2.gz IOFZLHCHKCJROP-QWRGUYRKSA-N 1 0 362.373 2.744 20 5 FFBDRO COc1cc(C[NH2+]C[C@H](C)C[C@H](C)O)c([N+](=O)[O-])cc1OCC(F)F ZINC000272388162 252026333 /nfs/dbraw/zinc/02/63/33/252026333.db2.gz IOFZLHCHKCJROP-MNOVXSKESA-N 1 0 362.373 2.744 20 5 FFBDRO CC[NH+]1CCC(NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000272405831 252031045 /nfs/dbraw/zinc/03/10/45/252031045.db2.gz KPXJXYXGYIPJPM-UHFFFAOYSA-N 1 0 354.838 2.574 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000272843406 252145064 /nfs/dbraw/zinc/14/50/64/252145064.db2.gz NJAFBLDASWGZEO-QWHCGFSZSA-N 1 0 363.439 2.962 20 5 FFBDRO COC(=O)COc1ccc(C[N@H+](C)Cc2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000272917342 252164174 /nfs/dbraw/zinc/16/41/74/252164174.db2.gz DQRSOEWTJFIDMO-UHFFFAOYSA-N 1 0 374.393 2.787 20 5 FFBDRO C[C@H](Cc1ccccc1F)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000272974453 252179700 /nfs/dbraw/zinc/17/97/00/252179700.db2.gz WQMHQEPLLJGBTR-CYBMUJFWSA-N 1 0 366.414 2.728 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)cnc1NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000273067436 252207428 /nfs/dbraw/zinc/20/74/28/252207428.db2.gz FBCOBHXGVIMFAZ-HNNXBMFYSA-N 1 0 362.817 2.822 20 5 FFBDRO CS[C@@H]1CN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@@H]1[NH+]1CCCC1 ZINC000273526895 252324319 /nfs/dbraw/zinc/32/43/19/252324319.db2.gz QKNBYHSUWVVQOJ-DLBZAZTESA-N 1 0 374.466 2.728 20 5 FFBDRO CS(=O)(=O)CCCCC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000274788736 255918923 /nfs/dbraw/zinc/91/89/23/255918923.db2.gz NGSBYSXRBMBTNB-INIZCTEOSA-N 1 0 354.472 2.720 20 5 FFBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000285755333 257003053 /nfs/dbraw/zinc/00/30/53/257003053.db2.gz ZBJSRIKNICGOLO-JSGCOSHPSA-N 1 0 366.849 2.745 20 5 FFBDRO Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H](c3ncc[nH]3)C2)cc1[N+](=O)[O-] ZINC000276950985 256145316 /nfs/dbraw/zinc/14/53/16/256145316.db2.gz DUSMOYNOPMSASW-CYBMUJFWSA-N 1 0 364.427 2.503 20 5 FFBDRO CSc1ccc(C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000277654157 256222560 /nfs/dbraw/zinc/22/25/60/256222560.db2.gz SVFLIIBILFSUNY-ZDUSSCGKSA-N 1 0 367.471 2.547 20 5 FFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCN(c2ccnn2C)C1 ZINC000278163049 256283009 /nfs/dbraw/zinc/28/30/09/256283009.db2.gz APMNYIHHMIEFLJ-RDJZCZTQSA-N 1 0 357.458 2.908 20 5 FFBDRO O=C(CC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)Nc1ccccc1[N+](=O)[O-] ZINC000278495754 256318773 /nfs/dbraw/zinc/31/87/73/256318773.db2.gz ABKISLWSYDHFNK-VHSSKADRSA-N 1 0 359.426 2.861 20 5 FFBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000279264939 256399596 /nfs/dbraw/zinc/39/95/96/256399596.db2.gz JTJIWMDNQCXTGU-LBPRGKRZSA-N 1 0 369.824 2.874 20 5 FFBDRO CC(=O)c1cc(NCc2ccnc(OCC[NH+](C)C)c2)ccc1[N+](=O)[O-] ZINC000286426652 257036454 /nfs/dbraw/zinc/03/64/54/257036454.db2.gz HTHIVAXEFNCWPX-UHFFFAOYSA-N 1 0 358.398 2.745 20 5 FFBDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@@H+]2Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000286461475 257038120 /nfs/dbraw/zinc/03/81/20/257038120.db2.gz KKRDMXVILFUFDW-RFLUGMABSA-N 1 0 356.382 2.500 20 5 FFBDRO Cc1c(NC(=O)CCN2CC[C@H]([NH+]3CCCC3)[C@H]2C)cccc1[N+](=O)[O-] ZINC000286805535 257056128 /nfs/dbraw/zinc/05/61/28/257056128.db2.gz JETFVDTWKYMSHJ-QAPCUYQASA-N 1 0 360.458 2.790 20 5 FFBDRO Cc1c(NC(=O)CCN2CC[C@@H]([NH+]3CCCC3)[C@H]2C)cccc1[N+](=O)[O-] ZINC000286805532 257056240 /nfs/dbraw/zinc/05/62/40/257056240.db2.gz JETFVDTWKYMSHJ-CRAIPNDOSA-N 1 0 360.458 2.790 20 5 FFBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000287013891 257067121 /nfs/dbraw/zinc/06/71/21/257067121.db2.gz ROXIRXMARIBWRW-CXAGYDPISA-N 1 0 364.421 2.621 20 5 FFBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)cc1[N+](=O)[O-] ZINC000288355673 257179320 /nfs/dbraw/zinc/17/93/20/257179320.db2.gz WIUIJOAFPPHACD-TZMCWYRMSA-N 1 0 362.386 2.510 20 5 FFBDRO COc1ccc(C[C@@](C)(O)C[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000289830617 257301719 /nfs/dbraw/zinc/30/17/19/257301719.db2.gz OGWUQPVUIDAJQP-LJQANCHMSA-N 1 0 360.410 2.695 20 5 FFBDRO COc1ccc(C[C@@](C)(O)C[NH2+]Cc2csc([N+](=O)[O-])c2)cc1OC ZINC000289883352 257304778 /nfs/dbraw/zinc/30/47/78/257304778.db2.gz SATWQKWTWMCCRB-QGZVFWFLSA-N 1 0 366.439 2.757 20 5 FFBDRO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290973192 257369513 /nfs/dbraw/zinc/36/95/13/257369513.db2.gz QGSMGZCDHJRXQT-MRXNPFEDSA-N 1 0 371.441 2.657 20 5 FFBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000301091795 258024582 /nfs/dbraw/zinc/02/45/82/258024582.db2.gz IALRIOFLUNJWJL-QGZVFWFLSA-N 1 0 360.389 2.808 20 5 FFBDRO CNC(=O)c1ccc(N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c([N+](=O)[O-])c1 ZINC000301110432 258026170 /nfs/dbraw/zinc/02/61/70/258026170.db2.gz MVUCNCCJYOSPCP-INIZCTEOSA-N 1 0 374.485 2.903 20 5 FFBDRO CC(C)[NH+]1CCC(N(C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000299597170 258009216 /nfs/dbraw/zinc/00/92/16/258009216.db2.gz PVYNECUCFWQPMR-UHFFFAOYSA-N 1 0 359.430 2.949 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000302195416 258093881 /nfs/dbraw/zinc/09/38/81/258093881.db2.gz SIKKGOJPXNILNB-HOCLYGCPSA-N 1 0 359.426 2.835 20 5 FFBDRO COC(=O)c1cnc(NC2CC[NH+](CC3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000302761949 258109870 /nfs/dbraw/zinc/10/98/70/258109870.db2.gz KKRDGMDJHSWTAE-UHFFFAOYSA-N 1 0 362.430 2.843 20 5 FFBDRO COC(=O)c1cnc(N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000302772842 258110336 /nfs/dbraw/zinc/11/03/36/258110336.db2.gz NOBVUFNJDONXBR-CZUORRHYSA-N 1 0 370.409 2.851 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)CCN2 ZINC000302882843 258113542 /nfs/dbraw/zinc/11/35/42/258113542.db2.gz KGOXRUGFHDRWFC-CVEARBPZSA-N 1 0 368.437 2.610 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@@H](CC[NH3+])c2ccccc21 ZINC000327457667 258116287 /nfs/dbraw/zinc/11/62/87/258116287.db2.gz VXSBHBOCMLPIFV-CYBMUJFWSA-N 1 0 361.423 2.545 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])c(N2CC[C@H]([NH+]3CCCC3)C2)cc1Cl ZINC000301642583 258060526 /nfs/dbraw/zinc/06/05/26/258060526.db2.gz BSWMRIMGRBRDNT-NSHDSACASA-N 1 0 353.806 2.709 20 5 FFBDRO Cc1nc(NCCN2CC[NH+](Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000301651687 258060933 /nfs/dbraw/zinc/06/09/33/258060933.db2.gz QJBWTOSQQPZERP-UHFFFAOYSA-N 1 0 355.442 2.528 20 5 FFBDRO CS(=O)(=O)c1cccc(N[C@H]2CC[N@H+](CC3CCCC3)C2)c1[N+](=O)[O-] ZINC000301866930 258071711 /nfs/dbraw/zinc/07/17/11/258071711.db2.gz GDUFMSDBQBRAQW-AWEZNQCLSA-N 1 0 367.471 2.675 20 5 FFBDRO CN(c1ccc2ncc([N+](=O)[O-])n2n1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000301965578 258078391 /nfs/dbraw/zinc/07/83/91/258078391.db2.gz KDAPNYZNHHYGRA-INIZCTEOSA-N 1 0 366.425 2.738 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](C(C)(C)C)[C@H](O)C1 ZINC000330691302 258168525 /nfs/dbraw/zinc/16/85/25/258168525.db2.gz BCWRWYNUVGNVTC-NVXWUHKLSA-N 1 0 363.458 2.961 20 5 FFBDRO CC[NH+](CC)CC1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000330890661 258172972 /nfs/dbraw/zinc/17/29/72/258172972.db2.gz WMVSESIDMODYSJ-UHFFFAOYSA-N 1 0 369.487 2.646 20 5 FFBDRO C[C@@H]1CCCC[N@@H+]1CCC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000332030112 258211081 /nfs/dbraw/zinc/21/10/81/258211081.db2.gz HLIPLDNLUDOWGI-MRXNPFEDSA-N 1 0 360.458 2.508 20 5 FFBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000332109100 258214270 /nfs/dbraw/zinc/21/42/70/258214270.db2.gz AIGQOMPQCCWSHK-OAGGEKHMSA-N 1 0 360.458 2.871 20 5 FFBDRO Cc1ccc(NC(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)cc1[N+](=O)[O-] ZINC000332519506 258233381 /nfs/dbraw/zinc/23/33/81/258233381.db2.gz BQIZTQVIVDDTLG-WBVHZDCISA-N 1 0 362.430 2.653 20 5 FFBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000065734344 506352883 /nfs/dbraw/zinc/35/28/83/506352883.db2.gz ZUXNVKBDEJVSDL-CQSZACIVSA-N 1 0 371.441 2.970 20 5 FFBDRO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000369066565 512210780 /nfs/dbraw/zinc/21/07/80/512210780.db2.gz RUBOLJVQMZJRKS-HNNXBMFYSA-N 1 0 369.425 2.527 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(n2cccn2)CC1 ZINC000369120390 512236759 /nfs/dbraw/zinc/23/67/59/512236759.db2.gz SKDGNEURSKMGSM-UHFFFAOYSA-N 1 0 357.414 2.765 20 5 FFBDRO CNC(=O)c1ccc(NCCC[N@H+](C)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000053552970 506404342 /nfs/dbraw/zinc/40/43/42/506404342.db2.gz IBFQFWFGEMURPQ-UHFFFAOYSA-N 1 0 356.426 2.888 20 5 FFBDRO CNC(=O)c1ccc(NC[C@H](c2ccc(F)cc2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000053574761 506409264 /nfs/dbraw/zinc/40/92/64/506409264.db2.gz FJVPEDHXOAFZSR-QGZVFWFLSA-N 1 0 360.389 2.808 20 5 FFBDRO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000371242847 512286713 /nfs/dbraw/zinc/28/67/13/512286713.db2.gz HULXGPNEYFKNNP-INIZCTEOSA-N 1 0 358.442 2.773 20 5 FFBDRO O=C(NCC1([NH+]2CCSCC2)CCCC1)c1csc([N+](=O)[O-])c1 ZINC000044521530 506853986 /nfs/dbraw/zinc/85/39/86/506853986.db2.gz DDUMKPKIOFGJMV-UHFFFAOYSA-N 1 0 355.485 2.748 20 5 FFBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000055936280 506891783 /nfs/dbraw/zinc/89/17/83/506891783.db2.gz GRVOJZABXPFDPM-OAHLLOKOSA-N 1 0 362.474 2.976 20 5 FFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000045455527 506969966 /nfs/dbraw/zinc/96/99/66/506969966.db2.gz RVMQVAADVYWXLP-UHFFFAOYSA-N 1 0 368.437 2.865 20 5 FFBDRO Cc1ccc(CN(CC[NH+](C)C)C(=O)NCc2cccc([N+](=O)[O-])c2)o1 ZINC000067724246 506990696 /nfs/dbraw/zinc/99/06/96/506990696.db2.gz SKLNPYURIRWWRV-UHFFFAOYSA-N 1 0 360.414 2.770 20 5 FFBDRO O=C(COc1ccc([N+](=O)[O-])cc1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000015140129 507023948 /nfs/dbraw/zinc/02/39/48/507023948.db2.gz MGHBGFYJZWXXQZ-UHFFFAOYSA-N 1 0 369.421 2.886 20 5 FFBDRO C[C@H]1CCC[N@H+](CCCCNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000068085107 507104528 /nfs/dbraw/zinc/10/45/28/507104528.db2.gz IJYJWKHHQABEEK-ZDUSSCGKSA-N 1 0 359.430 2.713 20 5 FFBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000068133483 507124215 /nfs/dbraw/zinc/12/42/15/507124215.db2.gz WDWJWNANSOZYSU-MRXNPFEDSA-N 1 0 360.458 2.874 20 5 FFBDRO CN1CCC([N@@H+]2CC[C@H](Nc3ccc4ncccc4c3[N+](=O)[O-])C2)CC1 ZINC000369269018 512321141 /nfs/dbraw/zinc/32/11/41/512321141.db2.gz VCSFWQYZYXFMKC-AWEZNQCLSA-N 1 0 355.442 2.723 20 5 FFBDRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000021414370 507254301 /nfs/dbraw/zinc/25/43/01/507254301.db2.gz XBRZAGVLUCNVJC-UHFFFAOYSA-N 1 0 356.382 2.737 20 5 FFBDRO C[NH+](C)[C@H](CNC(=O)COc1ccccc1[N+](=O)[O-])c1cccc(F)c1 ZINC000057616048 507294276 /nfs/dbraw/zinc/29/42/76/507294276.db2.gz YEXAZKMEFGSCGX-MRXNPFEDSA-N 1 0 361.373 2.532 20 5 FFBDRO O=C(C[N@H+](C[C@@H]1CCOC1)C1CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000047405768 507324365 /nfs/dbraw/zinc/32/43/65/507324365.db2.gz XUJWXRVYMVLHNB-NSHDSACASA-N 1 0 353.806 2.688 20 5 FFBDRO Cc1c(C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)cccc1[N+](=O)[O-] ZINC000023015768 507325003 /nfs/dbraw/zinc/32/50/03/507325003.db2.gz LVLPQLQSWGZLFX-UHFFFAOYSA-N 1 0 368.437 2.940 20 5 FFBDRO O=C(NC1CC[NH+](CC2CCCC2)CC1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000068811315 507331982 /nfs/dbraw/zinc/33/19/82/507331982.db2.gz CMXCYMWYGZYZFC-UHFFFAOYSA-N 1 0 371.441 2.856 20 5 FFBDRO CC(C)[C@@H](CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000058610947 507444449 /nfs/dbraw/zinc/44/44/49/507444449.db2.gz OGLVGLGUAVWCSL-MRXNPFEDSA-N 1 0 355.460 2.531 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000026956694 507623935 /nfs/dbraw/zinc/62/39/35/507623935.db2.gz HYXBLGBCDPTNEC-UHFFFAOYSA-N 1 0 369.487 2.836 20 5 FFBDRO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CC[NH+](CC2CCCCC2)CC1 ZINC000070826309 507645267 /nfs/dbraw/zinc/64/52/67/507645267.db2.gz ZCSWARRGRLOHPK-UHFFFAOYSA-N 1 0 371.441 2.809 20 5 FFBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000071028624 507684528 /nfs/dbraw/zinc/68/45/28/507684528.db2.gz PYZMUZSEQQGIPD-UHFFFAOYSA-N 1 0 362.349 2.769 20 5 FFBDRO O=C(COc1ccc([N+](=O)[O-])cc1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000063273217 507711121 /nfs/dbraw/zinc/71/11/21/507711121.db2.gz WNTCQPGGCRZVNI-UHFFFAOYSA-N 1 0 361.442 2.744 20 5 FFBDRO Nc1nc(NCc2ccc(C[NH+]3CCCCCC3)cc2)ncc1[N+](=O)[O-] ZINC000063737655 507765399 /nfs/dbraw/zinc/76/53/99/507765399.db2.gz VVAYIXUDXAJAQR-UHFFFAOYSA-N 1 0 356.430 2.955 20 5 FFBDRO CCCCCNC(=O)C1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000051803102 507786312 /nfs/dbraw/zinc/78/63/12/507786312.db2.gz NAUYEXDGKGHOMR-UHFFFAOYSA-N 1 0 363.458 2.992 20 5 FFBDRO C[NH+](C)Cc1ccc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 ZINC000029952324 507797478 /nfs/dbraw/zinc/79/74/78/507797478.db2.gz YTPWQCCWXRXNOR-UHFFFAOYSA-N 1 0 357.366 2.680 20 5 FFBDRO CC(=O)c1ccc(NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000089643910 507853287 /nfs/dbraw/zinc/85/32/87/507853287.db2.gz LIZOKBMDPBKRFD-MSOLQXFVSA-N 1 0 369.421 2.845 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)cnc1NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000089644543 507853313 /nfs/dbraw/zinc/85/33/13/507853313.db2.gz KLDXLFRYXUQKOJ-CABCVRRESA-N 1 0 362.817 2.691 20 5 FFBDRO Cc1c[nH+]ccc1N1CCC(C(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000073000372 507883272 /nfs/dbraw/zinc/88/32/72/507883272.db2.gz MZSIHQOBCGWHQR-UHFFFAOYSA-N 1 0 354.410 2.831 20 5 FFBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000073108712 507894530 /nfs/dbraw/zinc/89/45/30/507894530.db2.gz DCASTSKFXKTQSI-AWEZNQCLSA-N 1 0 362.386 2.512 20 5 FFBDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000078674823 507896111 /nfs/dbraw/zinc/89/61/11/507896111.db2.gz CRULWRMTANTCJH-INIZCTEOSA-N 1 0 368.437 2.652 20 5 FFBDRO CC[NH+](CC)CCOC1CCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000073246345 507906451 /nfs/dbraw/zinc/90/64/51/507906451.db2.gz UHKXBKJLFFQBNW-UHFFFAOYSA-N 1 0 355.460 2.619 20 5 FFBDRO CCC[C@H]([NH2+][C@H]1CCCN(c2ccn(C)n2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000090115956 507909621 /nfs/dbraw/zinc/90/96/21/507909621.db2.gz RBUHBWRDNPRJPV-IRXDYDNUSA-N 1 0 371.441 2.955 20 5 FFBDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000108821346 507920293 /nfs/dbraw/zinc/92/02/93/507920293.db2.gz TUQJROWQPGNDJQ-GASCZTMLSA-N 1 0 363.458 2.846 20 5 FFBDRO CC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@H](C)Cc1ccc(OC)cc1 ZINC000090548633 507926886 /nfs/dbraw/zinc/92/68/86/507926886.db2.gz SEDFHBGOXAIXCU-OAHLLOKOSA-N 1 0 359.426 2.718 20 5 FFBDRO C[NH+](C)CCN(C1CCCCC1)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000079068424 507930109 /nfs/dbraw/zinc/93/01/09/507930109.db2.gz HKQOFJNCWRFVAF-UHFFFAOYSA-N 1 0 369.487 2.621 20 5 FFBDRO CC[N@@H+]1CCCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000091167051 507961808 /nfs/dbraw/zinc/96/18/08/507961808.db2.gz GYZHRSAHQYQHNA-UHFFFAOYSA-N 1 0 358.345 2.756 20 5 FFBDRO Cc1ccc(C(=O)NCC2([NH+]3CCCCC3)CCOCC2)cc1[N+](=O)[O-] ZINC000109980710 507999076 /nfs/dbraw/zinc/99/90/76/507999076.db2.gz ALRHJHHUHCEQBY-UHFFFAOYSA-N 1 0 361.442 2.668 20 5 FFBDRO CCc1nn(C)c(NCC2(C[NH+]3CCOCC3)CCCCC2)c1[N+](=O)[O-] ZINC000091735527 508006262 /nfs/dbraw/zinc/00/62/62/508006262.db2.gz JNJQJKIFZTZFRX-UHFFFAOYSA-N 1 0 365.478 2.585 20 5 FFBDRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000074327208 508012461 /nfs/dbraw/zinc/01/24/61/508012461.db2.gz DDOBIYXUWGAQCQ-MRXNPFEDSA-N 1 0 360.458 2.587 20 5 FFBDRO Cc1nn(C)c(C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)c1[N+](=O)[O-] ZINC000091824148 508016677 /nfs/dbraw/zinc/01/66/77/508016677.db2.gz KABOEPHMIFOELQ-UHFFFAOYSA-N 1 0 357.414 2.527 20 5 FFBDRO COCc1cc([N+](=O)[O-])ccc1NCc1cccnc1N1CC[NH+](C)CC1 ZINC000080591926 508086581 /nfs/dbraw/zinc/08/65/81/508086581.db2.gz ZQPDGCWAWAQOME-UHFFFAOYSA-N 1 0 371.441 2.500 20 5 FFBDRO C[C@H](CNC(=O)NCc1ccccc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000111458602 508100830 /nfs/dbraw/zinc/10/08/30/508100830.db2.gz IMAVSGMOAQZDIF-OAHLLOKOSA-N 1 0 356.426 2.915 20 5 FFBDRO C[N@@H+](Cc1ccc(Cl)nc1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000080915134 508111855 /nfs/dbraw/zinc/11/18/55/508111855.db2.gz XDAZXZDFVNPGNO-CQSZACIVSA-N 1 0 351.790 2.515 20 5 FFBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000075630668 508122603 /nfs/dbraw/zinc/12/26/03/508122603.db2.gz NOJIAVCPTITXBN-GOSISDBHSA-N 1 0 371.441 2.525 20 5 FFBDRO CC[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075675207 508127682 /nfs/dbraw/zinc/12/76/82/508127682.db2.gz UIGBNJQJUQRWTH-IPMKNSEASA-N 1 0 358.442 2.810 20 5 FFBDRO CC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccccc1OCC(=O)NC ZINC000075819310 508135253 /nfs/dbraw/zinc/13/52/53/508135253.db2.gz BKYFWMMAAWNBNB-KRWDZBQOSA-N 1 0 357.410 2.961 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000081096031 508136524 /nfs/dbraw/zinc/13/65/24/508136524.db2.gz UAPKAZZVTKUAJJ-DOMZBBRYSA-N 1 0 368.865 2.849 20 5 FFBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000075860889 508138197 /nfs/dbraw/zinc/13/81/97/508138197.db2.gz MIEODZKNSOKLLC-HNNXBMFYSA-N 1 0 359.430 2.951 20 5 FFBDRO COc1ccc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1OC ZINC000093534595 508148361 /nfs/dbraw/zinc/14/83/61/508148361.db2.gz MPXBSXGTIZUYGG-CQSZACIVSA-N 1 0 358.398 2.693 20 5 FFBDRO O=[N+]([O-])c1cc(I)ccc1OCC1CC[NH2+]CC1 ZINC000097351099 508223853 /nfs/dbraw/zinc/22/38/53/508223853.db2.gz YIKJPPUWGVQSOZ-UHFFFAOYSA-N 1 0 362.167 2.578 20 5 FFBDRO CC(C)OCC[NH+]1CCC(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000081998315 508224881 /nfs/dbraw/zinc/22/48/81/508224881.db2.gz TVTPSWKNQOAVSS-UHFFFAOYSA-N 1 0 369.849 2.867 20 5 FFBDRO O=[N+]([O-])c1cccc(OCC[NH+]2CCC(OC[C@@H]3CCCO3)CC2)c1 ZINC000083411819 508244194 /nfs/dbraw/zinc/24/41/94/508244194.db2.gz RHJOAXHSRBZOED-SFHVURJKSA-N 1 0 350.415 2.634 20 5 FFBDRO C[C@H]([NH2+]C1(CNC(=O)c2ccc([N+](=O)[O-])o2)CCOCC1)c1ccccc1 ZINC000113236979 508253619 /nfs/dbraw/zinc/25/36/19/508253619.db2.gz HQALXRZZEFJVNE-AWEZNQCLSA-N 1 0 373.409 2.818 20 5 FFBDRO CC(C)[N@H+](C)CCNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000101953506 508261939 /nfs/dbraw/zinc/26/19/39/508261939.db2.gz NAMWPIXSMOMNPK-UHFFFAOYSA-N 1 0 363.336 2.606 20 5 FFBDRO CC(C)[N@H+](C)CCNC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000101955967 508261945 /nfs/dbraw/zinc/26/19/45/508261945.db2.gz SFRRCYFOWQNGOH-UHFFFAOYSA-N 1 0 362.474 2.901 20 5 FFBDRO COc1cc(C[NH2+]C[C@@](C)(O)c2ccsc2)c([N+](=O)[O-])cc1OC ZINC000077460397 508319060 /nfs/dbraw/zinc/31/90/60/508319060.db2.gz YPWOYKVGCZBHOO-MRXNPFEDSA-N 1 0 352.412 2.671 20 5 FFBDRO C[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@H]1CCc2ccccc2C1 ZINC000114488725 508321335 /nfs/dbraw/zinc/32/13/35/508321335.db2.gz PGGOIKVOWDEILF-SFHVURJKSA-N 1 0 365.433 2.973 20 5 FFBDRO C[NH+](C)CCN(Cc1ccco1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000088348506 508365707 /nfs/dbraw/zinc/36/57/07/508365707.db2.gz XAFFPDZDTMHXJM-UHFFFAOYSA-N 1 0 356.382 2.873 20 5 FFBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]C[C@H](O)Cc2ccccc2)c1 ZINC000105492745 508374044 /nfs/dbraw/zinc/37/40/44/508374044.db2.gz HLZQCXGGQAEHJI-OAHLLOKOSA-N 1 0 352.337 2.889 20 5 FFBDRO COc1cc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])nc3)C2)cc(OC)c1 ZINC000088751404 508381759 /nfs/dbraw/zinc/38/17/59/508381759.db2.gz KNFVWYRJUDYIAS-HNNXBMFYSA-N 1 0 358.398 2.693 20 5 FFBDRO CCOC(=O)c1ccnc(N[C@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000077903860 508390367 /nfs/dbraw/zinc/39/03/67/508390367.db2.gz QCWJIMNODCVNLD-HNNXBMFYSA-N 1 0 370.409 2.853 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000106364025 508399841 /nfs/dbraw/zinc/39/98/41/508399841.db2.gz ONQSLEDANFTMEN-AAEUAGOBSA-N 1 0 355.822 2.568 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000133553603 508415445 /nfs/dbraw/zinc/41/54/45/508415445.db2.gz YIDFXTJAXXYRIZ-CALCHBBNSA-N 1 0 374.485 2.534 20 5 FFBDRO COc1cc(CN(C)C[C@@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000152374110 508433305 /nfs/dbraw/zinc/43/33/05/508433305.db2.gz QZARPZAOMNARQL-GFCCVEGCSA-N 1 0 373.400 2.978 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000127563374 508468745 /nfs/dbraw/zinc/46/87/45/508468745.db2.gz GCTGEYCUARKANE-OAHLLOKOSA-N 1 0 364.446 2.570 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000127563605 508469353 /nfs/dbraw/zinc/46/93/53/508469353.db2.gz GCTGEYCUARKANE-HNNXBMFYSA-N 1 0 364.446 2.570 20 5 FFBDRO COc1cc(C[N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1O ZINC000156922156 508497306 /nfs/dbraw/zinc/49/73/06/508497306.db2.gz OMVRBLWMYODRRH-UHFFFAOYSA-N 1 0 359.382 2.770 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000116372169 508504377 /nfs/dbraw/zinc/50/43/77/508504377.db2.gz NTQRPQZDTMWNQN-AWEZNQCLSA-N 1 0 357.476 2.548 20 5 FFBDRO COC(=O)c1ccccc1-c1ccc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)o1 ZINC000152774026 508513544 /nfs/dbraw/zinc/51/35/44/508513544.db2.gz LSBUERGRDBXJGC-UHFFFAOYSA-N 1 0 370.365 2.628 20 5 FFBDRO Cc1c(Br)cc(C(=O)NC[C@@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000122526174 508548992 /nfs/dbraw/zinc/54/89/92/508548992.db2.gz HPSKRAKGRHWPMF-NSHDSACASA-N 1 0 370.247 2.737 20 5 FFBDRO O=[N+]([O-])c1cc(CN2CCC[C@H]([NH+]3CCCC3)CC2)c2c(c1)COCO2 ZINC000157319132 508552081 /nfs/dbraw/zinc/55/20/81/508552081.db2.gz OANYIXOQFVQYMP-KRWDZBQOSA-N 1 0 361.442 2.912 20 5 FFBDRO Cc1ccc(CNC(=O)[C@@H](C)N2CCc3c(cccc3[N+](=O)[O-])C2)cc1 ZINC000153351120 508574690 /nfs/dbraw/zinc/57/46/90/508574690.db2.gz KRVULTOBXWCLIO-OAHLLOKOSA-N 1 0 353.422 2.966 20 5 FFBDRO C[NH+](C)CCn1cc(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cn1 ZINC000128386973 508585699 /nfs/dbraw/zinc/58/56/99/508585699.db2.gz LSJMTCOAHUUTHT-UHFFFAOYSA-N 1 0 371.319 2.624 20 5 FFBDRO CN(C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCC[N@H+](C)C1 ZINC000153476376 508587178 /nfs/dbraw/zinc/58/71/78/508587178.db2.gz AWTDMUQBEOMZNC-ZDUSSCGKSA-N 1 0 355.822 2.570 20 5 FFBDRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000128477276 508598511 /nfs/dbraw/zinc/59/85/11/508598511.db2.gz HMPHWFKFTZKZEY-VXGBXAGGSA-N 1 0 374.363 2.802 20 5 FFBDRO Cc1c(NC(=O)CC[N@@H+](C)[C@@H]2CCCc3c2cnn3C)cccc1[N+](=O)[O-] ZINC000135563818 508624705 /nfs/dbraw/zinc/62/47/05/508624705.db2.gz JDILXTWDKGCAIT-QGZVFWFLSA-N 1 0 371.441 2.975 20 5 FFBDRO CCOc1ccc([C@@H](C)NC[C@@H](O)C[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000153702775 508630094 /nfs/dbraw/zinc/63/00/94/508630094.db2.gz BUAAZTKKEPMLAV-NVXWUHKLSA-N 1 0 365.474 2.737 20 5 FFBDRO COC(=O)[C@@H](C)C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C1CC1 ZINC000153742921 508639298 /nfs/dbraw/zinc/63/92/98/508639298.db2.gz XQPASSXLDGGKPT-ZDUSSCGKSA-N 1 0 363.414 2.505 20 5 FFBDRO CN(C(=O)c1ccc([N+](=O)[O-])cc1Br)[C@H]1CCC[N@H+](C)C1 ZINC000153751194 508641875 /nfs/dbraw/zinc/64/18/75/508641875.db2.gz YSWKXSOLLNGEMU-NSHDSACASA-N 1 0 356.220 2.524 20 5 FFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000158266830 508680335 /nfs/dbraw/zinc/68/03/35/508680335.db2.gz OCXMAJBFQNPAMF-UHFFFAOYSA-N 1 0 367.471 2.547 20 5 FFBDRO CC1CCN(c2ccc(C(=O)NC3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2[N+](=O)[O-])CC1 ZINC000129657569 508751048 /nfs/dbraw/zinc/75/10/48/508751048.db2.gz LSQNSAZPBGJYDT-SJPCQFCGSA-N 1 0 372.469 2.844 20 5 FFBDRO COc1ccc(C(=O)N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000137485062 508758651 /nfs/dbraw/zinc/75/86/51/508758651.db2.gz OEGGFTCSDLVUIT-YOEHRIQHSA-N 1 0 369.421 2.996 20 5 FFBDRO O=[N+]([O-])c1cnn(CCN2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000159114047 508794343 /nfs/dbraw/zinc/79/43/43/508794343.db2.gz OWZLPPXFLVIDPU-ICSRJNTNSA-N 1 0 369.469 2.778 20 5 FFBDRO C[N@@H+]1CCC[C@H]2CN(CC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CC[C@@H]21 ZINC000139915972 508797003 /nfs/dbraw/zinc/79/70/03/508797003.db2.gz XBOHXWFQSDKPJU-LRDDRELGSA-N 1 0 366.849 2.603 20 5 FFBDRO C[C@@H](CNC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)C[NH+]1CCCC1 ZINC000119509200 508809706 /nfs/dbraw/zinc/80/97/06/508809706.db2.gz NTCCSBSPMMNBRJ-INIZCTEOSA-N 1 0 362.474 2.949 20 5 FFBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccc(Br)cc1 ZINC000159724745 508880546 /nfs/dbraw/zinc/88/05/46/508880546.db2.gz UMVVYRHXAAGLKE-UHFFFAOYSA-N 1 0 366.215 2.651 20 5 FFBDRO O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000150763708 508888942 /nfs/dbraw/zinc/88/89/42/508888942.db2.gz BPGDBJCTWAHSGK-AWEZNQCLSA-N 1 0 362.386 2.594 20 5 FFBDRO CC[C@H](C)[N@H+](C)CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000150979605 508934501 /nfs/dbraw/zinc/93/45/01/508934501.db2.gz ODGMJEIEJNKIGU-NSHDSACASA-N 1 0 372.263 2.746 20 5 FFBDRO COc1ccc(C[NH2+]C2(CO)CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000120367523 508981703 /nfs/dbraw/zinc/98/17/03/508981703.db2.gz IROUJGPDWPIIPE-UHFFFAOYSA-N 1 0 358.394 2.797 20 5 FFBDRO COc1ccc(OCC[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000160911499 509047492 /nfs/dbraw/zinc/04/74/92/509047492.db2.gz FTHQDDXZLQILOV-RDTXWAMCSA-N 1 0 350.415 2.609 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+](C)CCC1CCOCC1 ZINC000120705561 509049136 /nfs/dbraw/zinc/04/91/36/509049136.db2.gz DCCMGANZWWDCDP-ZDUSSCGKSA-N 1 0 365.430 2.679 20 5 FFBDRO COc1ccc(CNC(=O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000160985308 509056559 /nfs/dbraw/zinc/05/65/59/509056559.db2.gz HQYWTOFTBIKNPF-AWEZNQCLSA-N 1 0 357.410 2.879 20 5 FFBDRO CSc1ccc(C(=O)NCCC[NH2+]Cc2cccnc2)cc1[N+](=O)[O-] ZINC000120857847 509077678 /nfs/dbraw/zinc/07/76/78/509077678.db2.gz ZRIMMORTMJLYJY-UHFFFAOYSA-N 1 0 360.439 2.621 20 5 FFBDRO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000126554719 509094951 /nfs/dbraw/zinc/09/49/51/509094951.db2.gz VGGAHBQSHMIICP-SJCJKPOMSA-N 1 0 369.425 2.560 20 5 FFBDRO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000126631800 509104900 /nfs/dbraw/zinc/10/49/00/509104900.db2.gz DRWAYFHHQVYJKK-OAHLLOKOSA-N 1 0 369.381 2.631 20 5 FFBDRO COc1ccc(OCC[N@@H+]2CC[C@]3(O)CCCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000247957708 509200493 /nfs/dbraw/zinc/20/04/93/509200493.db2.gz FTHQDDXZLQILOV-KBXCAEBGSA-N 1 0 350.415 2.609 20 5 FFBDRO CCn1cc([N+](=O)[O-])c(C(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)n1 ZINC000191837832 509205345 /nfs/dbraw/zinc/20/53/45/509205345.db2.gz MWBAJGHBKWDQAI-UHFFFAOYSA-N 1 0 371.441 2.548 20 5 FFBDRO COc1cc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000247975477 509206096 /nfs/dbraw/zinc/20/60/96/509206096.db2.gz GIARMDDTWZXIQX-CRAIPNDOSA-N 1 0 355.394 2.779 20 5 FFBDRO CC[C@](C)(COc1ncccc1Cl)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000162507987 509241205 /nfs/dbraw/zinc/24/12/05/509241205.db2.gz PSQVGMKFUZNSBK-OAHLLOKOSA-N 1 0 353.810 2.677 20 5 FFBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000172843333 509268567 /nfs/dbraw/zinc/26/85/67/509268567.db2.gz XLHIKKINBIUTAT-INIZCTEOSA-N 1 0 371.441 2.727 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)[C@@H](C)C1 ZINC000248356596 509274567 /nfs/dbraw/zinc/27/45/67/509274567.db2.gz OMLJYRJFIKNSHO-GOEBONIOSA-N 1 0 369.487 2.562 20 5 FFBDRO COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000162729826 509289649 /nfs/dbraw/zinc/28/96/49/509289649.db2.gz DMMIBBHCZFAUAO-ZBFHGGJFSA-N 1 0 363.414 2.553 20 5 FFBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1Nc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000248401231 509296214 /nfs/dbraw/zinc/29/62/14/509296214.db2.gz ZDBBRSPCMYJARD-SUMWQHHRSA-N 1 0 354.410 2.626 20 5 FFBDRO COc1cc(C[NH2+][C@@H](CO)Cc2ccccc2C)c([N+](=O)[O-])cc1OC ZINC000188934532 509330835 /nfs/dbraw/zinc/33/08/35/509330835.db2.gz CPWCQHTWGLXQNJ-MRXNPFEDSA-N 1 0 360.410 2.614 20 5 FFBDRO C[C@H](C[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1nccs1 ZINC000248466738 509334902 /nfs/dbraw/zinc/33/49/02/509334902.db2.gz SMGDPOUMUPCBHZ-TZMCWYRMSA-N 1 0 351.428 2.527 20 5 FFBDRO Cn1cccc1[C@@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248478862 509337728 /nfs/dbraw/zinc/33/77/28/509337728.db2.gz ZMNKOMKOODNARP-WBVHZDCISA-N 1 0 359.426 2.900 20 5 FFBDRO O=C(NC1CC[NH+](C2CC2)CC1)c1cccc([N+](=O)[O-])c1Br ZINC000182657655 509353894 /nfs/dbraw/zinc/35/38/94/509353894.db2.gz HLCKAHUEKPGPDC-UHFFFAOYSA-N 1 0 368.231 2.714 20 5 FFBDRO CCN(CCC[NH+]1CCCC1)S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000192146734 509371840 /nfs/dbraw/zinc/37/18/40/509371840.db2.gz HOCAKKGIYHKDGS-UHFFFAOYSA-N 1 0 369.487 2.708 20 5 FFBDRO CC1CC[NH+]([C@H](CNC(=O)c2c([N+](=O)[O-])cnn2C)c2ccccc2)CC1 ZINC000163420126 509374041 /nfs/dbraw/zinc/37/40/41/509374041.db2.gz WADHSLWKEYZMKY-MRXNPFEDSA-N 1 0 371.441 2.531 20 5 FFBDRO C[C@@H]1C[C@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)C[N@@H+]1C1CC1 ZINC000185837958 509378888 /nfs/dbraw/zinc/37/88/88/509378888.db2.gz JNIJYKWZJMJAOO-PWSUYJOCSA-N 1 0 352.822 2.673 20 5 FFBDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)CN(C)c2ccccc2[N+](=O)[O-])C1 ZINC000163540183 509389739 /nfs/dbraw/zinc/38/97/39/509389739.db2.gz ZXSSNEAKYWXCOH-INIZCTEOSA-N 1 0 362.474 2.515 20 5 FFBDRO O=[N+]([O-])c1cnc(N2CCC[C@H]2C[NH+]2CCCC2)c(Br)c1 ZINC000189074584 509399920 /nfs/dbraw/zinc/39/99/20/509399920.db2.gz HUGZVGXTWIBAMF-NSHDSACASA-N 1 0 355.236 2.817 20 5 FFBDRO C[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)C1([NH+]2CCOCC2)CCCC1 ZINC000176279402 509418573 /nfs/dbraw/zinc/41/85/73/509418573.db2.gz UYNKNEFKAJCGEU-AWEZNQCLSA-N 1 0 362.430 2.750 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@@H]3CCOC3)CC2)cc1C(F)(F)F ZINC000267347422 509457966 /nfs/dbraw/zinc/45/79/66/509457966.db2.gz FVDHZONRQNEBMB-LBPRGKRZSA-N 1 0 359.348 2.772 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N3CC[C@@H]([NH3+])C[C@H]3C)cc2[N+](=O)[O-])CC1 ZINC000236669073 509475814 /nfs/dbraw/zinc/47/58/14/509475814.db2.gz NUXFURVISPDGET-GDBMZVCRSA-N 1 0 360.458 2.783 20 5 FFBDRO C[C@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000173326819 509533683 /nfs/dbraw/zinc/53/36/83/509533683.db2.gz WHHCWKSCLZINQM-ZDUSSCGKSA-N 1 0 363.439 2.696 20 5 FFBDRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000173347753 509545977 /nfs/dbraw/zinc/54/59/77/509545977.db2.gz HSDQAUBINBJYDO-OLZOCXBDSA-N 1 0 363.439 2.915 20 5 FFBDRO C[C@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183015018 509548618 /nfs/dbraw/zinc/54/86/18/509548618.db2.gz LQRMGJATSBQXRF-KBPBESRZSA-N 1 0 367.471 2.526 20 5 FFBDRO CC[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cccc(S(N)(=O)=O)c1 ZINC000183029086 509556762 /nfs/dbraw/zinc/55/67/62/509556762.db2.gz TXCLLDXOKKNMQP-KRWDZBQOSA-N 1 0 363.439 2.526 20 5 FFBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NCC2([NH3+])CCCCCC2)cc1OC ZINC000237050339 509559564 /nfs/dbraw/zinc/55/95/64/509559564.db2.gz FPQNXPPEUMGDNQ-UHFFFAOYSA-N 1 0 365.430 2.784 20 5 FFBDRO C[NH2+]CC1CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1 ZINC000237101724 509572239 /nfs/dbraw/zinc/57/22/39/509572239.db2.gz YMZUEUOWDDCCFJ-UHFFFAOYSA-N 1 0 363.461 2.613 20 5 FFBDRO CCn1nc(C)c([N+](=O)[O-])c1NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000192633086 509572805 /nfs/dbraw/zinc/57/28/05/509572805.db2.gz BRBSOVHATWBWIR-UHFFFAOYSA-N 1 0 373.457 2.688 20 5 FFBDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000237134781 509579787 /nfs/dbraw/zinc/57/97/87/509579787.db2.gz FMJLYLDFTDCULR-INIZCTEOSA-N 1 0 360.458 2.655 20 5 FFBDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000165914967 509589097 /nfs/dbraw/zinc/58/90/97/509589097.db2.gz YUYZDMIOEXTOAU-VHSXEESVSA-N 1 0 356.220 2.557 20 5 FFBDRO COc1cc(C[NH2+][C@@H]2CCCOC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000237187933 509590936 /nfs/dbraw/zinc/59/09/36/509590936.db2.gz VONFJCHEQKDOPT-LLVKDONJSA-N 1 0 364.320 2.813 20 5 FFBDRO COc1ccccc1COC[C@@H](O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192707276 509606127 /nfs/dbraw/zinc/60/61/27/509606127.db2.gz STGGKVIMXMAJIM-KRWDZBQOSA-N 1 0 360.410 2.613 20 5 FFBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000179775697 509616741 /nfs/dbraw/zinc/61/67/41/509616741.db2.gz GZVHHCVBGDQFQK-OAHLLOKOSA-N 1 0 351.447 2.607 20 5 FFBDRO COc1ccc(CNC(=O)C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000192756982 509630595 /nfs/dbraw/zinc/63/05/95/509630595.db2.gz SINJFOWZVHOWOJ-IBGZPJMESA-N 1 0 369.421 2.887 20 5 FFBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000267937889 509678556 /nfs/dbraw/zinc/67/85/56/509678556.db2.gz NFKQBSKKCSVRKH-SNVBAGLBSA-N 1 0 374.210 2.711 20 5 FFBDRO C[C@H]1C[C@H](C)CN(c2ccc(C(=O)N[C@H]3CCC[NH2+]C3)cc2[N+](=O)[O-])C1 ZINC000237713991 509717364 /nfs/dbraw/zinc/71/73/64/509717364.db2.gz DXYJCTMYEUZGQO-DZKIICNBSA-N 1 0 360.458 2.559 20 5 FFBDRO C[C@H]1CCCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)[C@H]1C[NH3+] ZINC000237733958 509722762 /nfs/dbraw/zinc/72/27/62/509722762.db2.gz JMLSFIHNEOBUAU-YWZLYKJASA-N 1 0 363.461 2.741 20 5 FFBDRO C[C@H]1C[C@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000268045690 509733440 /nfs/dbraw/zinc/73/34/40/509733440.db2.gz ZKIQKUSCJINTAH-ONGXEEELSA-N 1 0 368.231 2.712 20 5 FFBDRO COc1ccc(OCC[NH2+][C@@](C)(CO)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000173788426 509778926 /nfs/dbraw/zinc/77/89/26/509778926.db2.gz WSSLZCZZAFWRFA-SFHVURJKSA-N 1 0 352.431 2.903 20 5 FFBDRO CN(C(=O)c1cccc([N+](=O)[O-])c1N)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000177019238 509823130 /nfs/dbraw/zinc/82/31/30/509823130.db2.gz HTAZGAYCUPDEHV-INIZCTEOSA-N 1 0 368.437 2.914 20 5 FFBDRO O=C(NCC[NH2+]C1CCCCCC1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000238122961 509825233 /nfs/dbraw/zinc/82/52/33/509825233.db2.gz NDEDZCKARAZVLZ-UHFFFAOYSA-N 1 0 371.441 2.823 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1SC ZINC000177073658 509854850 /nfs/dbraw/zinc/85/48/50/509854850.db2.gz VURIHQHJSWRKDB-GHMZBOCLSA-N 1 0 365.455 2.680 20 5 FFBDRO CC(C)c1ccc(C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000190030086 509895066 /nfs/dbraw/zinc/89/50/66/509895066.db2.gz ZWIDJZHMZKOBAG-HNNXBMFYSA-N 1 0 361.442 2.513 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[C@@H](C)C1 ZINC000245446098 509940674 /nfs/dbraw/zinc/94/06/74/509940674.db2.gz ZMQCLQMABAHUAS-XJKSGUPXSA-N 1 0 359.430 2.807 20 5 FFBDRO CC[NH+]1CCC(CCNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000174102444 509948841 /nfs/dbraw/zinc/94/88/41/509948841.db2.gz FURFODRQOAPTMF-UHFFFAOYSA-N 1 0 371.441 2.632 20 5 FFBDRO CC(C)C[NH+]1CCN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CC1 ZINC000268467455 509950897 /nfs/dbraw/zinc/95/08/97/509950897.db2.gz XZJUKVSBXTVFNQ-UHFFFAOYSA-N 1 0 360.458 2.609 20 5 FFBDRO COC(=O)c1cnc(NCc2ccc(C[NH+]3CCCC3)cc2)c([N+](=O)[O-])c1 ZINC000190165091 509980355 /nfs/dbraw/zinc/98/03/55/509980355.db2.gz RAGRTSCRQOUTIC-UHFFFAOYSA-N 1 0 370.409 2.984 20 5 FFBDRO COC(=O)c1cnc(NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000190171201 509985627 /nfs/dbraw/zinc/98/56/27/509985627.db2.gz CHNXKJZFXULILV-HNNXBMFYSA-N 1 0 374.397 2.927 20 5 FFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000177324639 509997607 /nfs/dbraw/zinc/99/76/07/509997607.db2.gz NFSYGJRUAWKFSG-KGLIPLIRSA-N 1 0 366.849 2.745 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N3CC[C@@](C)(C[NH3+])C3)cc2[N+](=O)[O-])CC1 ZINC000261678852 510022703 /nfs/dbraw/zinc/02/27/03/510022703.db2.gz ALSCPRDTJXQSNY-IBGZPJMESA-N 1 0 360.458 2.642 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000193711428 510031553 /nfs/dbraw/zinc/03/15/53/510031553.db2.gz UAMTVAWOIYNACO-UHFFFAOYSA-N 1 0 350.419 2.988 20 5 FFBDRO COc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000268622710 510040640 /nfs/dbraw/zinc/04/06/40/510040640.db2.gz YNIVBKSWMBCANO-QGZVFWFLSA-N 1 0 369.421 2.950 20 5 FFBDRO C[NH2+][C@@H](C)CNC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000261723794 510041183 /nfs/dbraw/zinc/04/11/83/510041183.db2.gz KZCZVUPJHVLHIT-STQMWFEESA-N 1 0 357.414 2.501 20 5 FFBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[NH2+]C[C@@H]1c1cccc(Cl)c1 ZINC000261722497 510041715 /nfs/dbraw/zinc/04/17/15/510041715.db2.gz JKUARNPDLNWWMF-QGZVFWFLSA-N 1 0 359.813 2.964 20 5 FFBDRO COc1cc(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000193838479 510095095 /nfs/dbraw/zinc/09/50/95/510095095.db2.gz RPPFLBICQGLOPY-MRXNPFEDSA-N 1 0 369.421 2.855 20 5 FFBDRO CC(C)NC(=O)c1ccc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c([N+](=O)[O-])c1 ZINC000268842756 510095608 /nfs/dbraw/zinc/09/56/08/510095608.db2.gz OYUQRJPWLZMUCQ-JKSUJKDBSA-N 1 0 360.458 2.654 20 5 FFBDRO Cn1cnc([N+](=O)[O-])c1N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000268847591 510097347 /nfs/dbraw/zinc/09/73/47/510097347.db2.gz PXYPUVCDOQVYOU-IRXDYDNUSA-N 1 0 355.442 2.819 20 5 FFBDRO CCc1n[nH]c(C(=O)NC[C@@H](c2ccccc2)[NH+](CC)CC)c1[N+](=O)[O-] ZINC000171369863 510113197 /nfs/dbraw/zinc/11/31/97/510113197.db2.gz YIVYJXRQQZUGHN-HNNXBMFYSA-N 1 0 359.430 2.693 20 5 FFBDRO Cn1cc(C[NH2+]CCC(=O)OC(C)(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000174432149 510113287 /nfs/dbraw/zinc/11/32/87/510113287.db2.gz WXSKGASFXSHTEE-UHFFFAOYSA-N 1 0 360.414 2.817 20 5 FFBDRO C[NH2+]CCC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000262008330 510147552 /nfs/dbraw/zinc/14/75/52/510147552.db2.gz HATYSGSJHKSLAU-UHFFFAOYSA-N 1 0 370.247 2.819 20 5 FFBDRO C[C@]1(C[NH3+])CCN(C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000262022400 510150594 /nfs/dbraw/zinc/15/05/94/510150594.db2.gz OXCYMVMKTPCIBD-OAHLLOKOSA-N 1 0 374.363 2.613 20 5 FFBDRO CCOc1cccc(NCc2ccnc(OCC[NH+](C)C)c2)c1[N+](=O)[O-] ZINC000184142219 510156868 /nfs/dbraw/zinc/15/68/68/510156868.db2.gz IQMVZNPREOUECJ-UHFFFAOYSA-N 1 0 360.414 2.941 20 5 FFBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)N2CCO[C@@H]3CCCC[C@H]32)cc1[N+](=O)[O-] ZINC000245836870 510160277 /nfs/dbraw/zinc/16/02/77/510160277.db2.gz BKMRJZMWGMARPF-YXJHDRRASA-N 1 0 361.442 2.724 20 5 FFBDRO C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(-c2ccncc2)cc1 ZINC000180931316 510189710 /nfs/dbraw/zinc/18/97/10/510189710.db2.gz MWLUGXPJWGEDMK-LIRRHRJNSA-N 1 0 367.409 2.565 20 5 FFBDRO C[N@@H+]1CCCN(c2ccc(NC(=O)c3c(N)cccc3[N+](=O)[O-])cc2)CC1 ZINC000180941466 510197344 /nfs/dbraw/zinc/19/73/44/510197344.db2.gz GHVCGUYDEOPKJL-UHFFFAOYSA-N 1 0 369.425 2.571 20 5 FFBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)cs1 ZINC000265760796 510216097 /nfs/dbraw/zinc/21/60/97/510216097.db2.gz JUECEDWMOBRPBH-IAGOWNOFSA-N 1 0 361.467 2.629 20 5 FFBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2c2ncc([N+](=O)[O-])cc2Br)C1 ZINC000269091041 510231307 /nfs/dbraw/zinc/23/13/07/510231307.db2.gz LAHYQIPGLPIXIU-GXFFZTMASA-N 1 0 355.236 2.673 20 5 FFBDRO C[N@@H+](Cc1ccc(Cl)c(Cl)c1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174658058 510234454 /nfs/dbraw/zinc/23/44/54/510234454.db2.gz UPKCYKPQEWXJLJ-GFCCVEGCSA-N 1 0 359.213 2.591 20 5 FFBDRO Cc1ccc(CCC2CC[NH+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)cc1 ZINC000174701314 510260954 /nfs/dbraw/zinc/26/09/54/510260954.db2.gz BNCPXNSFFCBIOY-HXUWFJFHSA-N 1 0 372.469 2.805 20 5 FFBDRO C[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)[C@@H]1CCC[NH2+]C1 ZINC000269171006 510270697 /nfs/dbraw/zinc/27/06/97/510270697.db2.gz FKXBNHQLKQEXFV-RKDXNWHRSA-N 1 0 374.210 2.614 20 5 FFBDRO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)C2 ZINC000174786209 510309707 /nfs/dbraw/zinc/30/97/07/510309707.db2.gz JPMDPRWWHRBGFI-CMPLNLGQSA-N 1 0 370.356 2.897 20 5 FFBDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000262579191 510322236 /nfs/dbraw/zinc/32/22/36/510322236.db2.gz LHMCIVLXSGPQSA-GRYCIOLGSA-N 1 0 355.822 2.601 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N3CC[C@H]([NH3+])[C@@H](C)C3)cc2[N+](=O)[O-])CC1 ZINC000269284211 510322646 /nfs/dbraw/zinc/32/26/46/510322646.db2.gz RQTAHYHQRMTXDF-HOCLYGCPSA-N 1 0 360.458 2.640 20 5 FFBDRO C[C@@H]1C[C@@H]([N@H+](C)CCn2cc([N+](=O)[O-])cn2)CCN1Cc1ccccc1 ZINC000174870565 510356271 /nfs/dbraw/zinc/35/62/71/510356271.db2.gz PNJOUZXSNYLMQL-AEFFLSMTSA-N 1 0 357.458 2.776 20 5 FFBDRO C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(-c2cccnc2)cc1 ZINC000181323412 510356481 /nfs/dbraw/zinc/35/64/81/510356481.db2.gz JBTVCBADPPEYNY-IFXJQAMLSA-N 1 0 367.409 2.565 20 5 FFBDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000174923340 510388180 /nfs/dbraw/zinc/38/81/80/510388180.db2.gz KANWWOQLTABXPM-MRXNPFEDSA-N 1 0 368.437 2.771 20 5 FFBDRO CC(C)CCO[C@@H]1CCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000246302247 510415855 /nfs/dbraw/zinc/41/58/55/510415855.db2.gz BVUHBQNXFSGIKS-MSOLQXFVSA-N 1 0 361.442 2.837 20 5 FFBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000194604280 510441003 /nfs/dbraw/zinc/44/10/03/510441003.db2.gz ABJSAQGGFPPUSH-MRXNPFEDSA-N 1 0 369.421 2.998 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(NCc2ccc(CN3CC[NH+](C)CC3)cc2)n1 ZINC000178172542 510471801 /nfs/dbraw/zinc/47/18/01/510471801.db2.gz GPQJFROILDZGSZ-UHFFFAOYSA-N 1 0 355.442 2.658 20 5 FFBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)NC[C@@H]3CCC[N@@H+]3C)cc2[N+](=O)[O-])C1 ZINC000194735999 510501888 /nfs/dbraw/zinc/50/18/88/510501888.db2.gz VNUKBCPTSYDOIY-UXLLHSPISA-N 1 0 374.485 2.901 20 5 FFBDRO CC(C)(C)[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1F ZINC000181631272 510511356 /nfs/dbraw/zinc/51/13/56/510511356.db2.gz RAZQFVTUGNOUMO-XJKSGUPXSA-N 1 0 368.384 2.807 20 5 FFBDRO C[N@@H+]1CCCN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000181637084 510515470 /nfs/dbraw/zinc/51/54/70/510515470.db2.gz QRAPBQCTIVYXQE-UHFFFAOYSA-N 1 0 357.208 2.527 20 5 FFBDRO COc1cc(C(=O)NCc2ccccc2C[NH+](C)C)cc([N+](=O)[O-])c1C ZINC000191159683 510528858 /nfs/dbraw/zinc/52/88/58/510528858.db2.gz SQOGVQUIEWRUGS-UHFFFAOYSA-N 1 0 357.410 2.903 20 5 FFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)C[C@H]1CCC[C@@H]1O ZINC000246535346 510541006 /nfs/dbraw/zinc/54/10/06/510541006.db2.gz LBXJJXJFPFEYRV-HFAKWTLXSA-N 1 0 355.822 2.668 20 5 FFBDRO CCc1n[nH]c(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000175272318 510563434 /nfs/dbraw/zinc/56/34/34/510563434.db2.gz LQLQVJSWUHLARN-HIFRSBDPSA-N 1 0 371.441 2.663 20 5 FFBDRO C[NH2+][C@@H]1CCCN(C(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC000246571926 510564014 /nfs/dbraw/zinc/56/40/14/510564014.db2.gz BRTAJSADOWHCHI-YQQAZPJKSA-N 1 0 374.485 2.901 20 5 FFBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N(C)CC2([NH+](C)C)CCC2)cc1OC ZINC000188046464 510566370 /nfs/dbraw/zinc/56/63/70/510566370.db2.gz PWDUHBBCZGNQDK-UHFFFAOYSA-N 1 0 365.430 2.558 20 5 FFBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2csc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000172164728 510578436 /nfs/dbraw/zinc/57/84/36/510578436.db2.gz WWUHAFMOMORZDA-OCCSQVGLSA-N 1 0 355.460 2.523 20 5 FFBDRO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000175306913 510581087 /nfs/dbraw/zinc/58/10/87/510581087.db2.gz OZLPDOYMVQRPQU-LBPRGKRZSA-N 1 0 368.340 2.674 20 5 FFBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000191324241 510606348 /nfs/dbraw/zinc/60/63/48/510606348.db2.gz YGGRKCXRUMTWEH-CQSZACIVSA-N 1 0 352.435 2.690 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000191365876 510624248 /nfs/dbraw/zinc/62/42/48/510624248.db2.gz SOZNRSLNLGELPA-GASCZTMLSA-N 1 0 364.446 2.832 20 5 FFBDRO CCC1(CC)[C@H]([NH2+]CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C[C@H]1OC ZINC000191363468 510625445 /nfs/dbraw/zinc/62/54/45/510625445.db2.gz IOWRTTYRAYVUFU-HZPDHXFCSA-N 1 0 365.430 2.725 20 5 FFBDRO Cc1c(Br)cc(C(=O)N[C@H](C)Cn2ccnc2)cc1[N+](=O)[O-] ZINC000269976046 510626049 /nfs/dbraw/zinc/62/60/49/510626049.db2.gz NLIOKYFUHZKYTI-SECBINFHSA-N 1 0 367.203 2.681 20 5 FFBDRO Cc1c(NC(=O)[C@H](C)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cccc1[N+](=O)[O-] ZINC000246710713 510628249 /nfs/dbraw/zinc/62/82/49/510628249.db2.gz FFFILKRZSWGHFJ-DAYGRLMNSA-N 1 0 360.458 2.646 20 5 FFBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1cccc(N2CCCC2)c1 ZINC000181857963 510630130 /nfs/dbraw/zinc/63/01/30/510630130.db2.gz SMVJPIBIALZGBD-HNNXBMFYSA-N 1 0 356.426 2.708 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NC2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000175414921 510635338 /nfs/dbraw/zinc/63/53/38/510635338.db2.gz VOAHDYMKXSRLPC-UHFFFAOYSA-N 1 0 367.471 2.670 20 5 FFBDRO [NH3+][C@H]1CC[C@H]2CN(C(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)C[C@H]21 ZINC000185032566 510645444 /nfs/dbraw/zinc/64/54/44/510645444.db2.gz WJUIVRHRNYOMAC-YUTCNCBUSA-N 1 0 358.423 2.528 20 5 FFBDRO CCN(CCC[NH+](CC)CC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000188250830 510668796 /nfs/dbraw/zinc/66/87/96/510668796.db2.gz WFQNXUZGUJODEC-UHFFFAOYSA-N 1 0 357.476 2.646 20 5 FFBDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000181952416 510676805 /nfs/dbraw/zinc/67/68/05/510676805.db2.gz STLODMCIXKGSGD-NSHDSACASA-N 1 0 357.357 2.610 20 5 FFBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000188294627 510694303 /nfs/dbraw/zinc/69/43/03/510694303.db2.gz VWAKRLKPMDSNCZ-NRFANRHFSA-N 1 0 369.465 2.706 20 5 FFBDRO CN(C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000182022691 510715034 /nfs/dbraw/zinc/71/50/34/510715034.db2.gz IHROGFAIXOZKSU-UHFFFAOYSA-N 1 0 357.863 2.893 20 5 FFBDRO CCO[C@@H]1C[C@@H]([N@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000182022887 510715503 /nfs/dbraw/zinc/71/55/03/510715503.db2.gz MEMCCIZYMURHED-BMGDILEWSA-N 1 0 364.442 2.614 20 5 FFBDRO Cc1nccn1C[C@H](C)C[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000178700195 510728783 /nfs/dbraw/zinc/72/87/83/510728783.db2.gz FTMFLGNTNUMBDF-KGLIPLIRSA-N 1 0 359.430 2.743 20 5 FFBDRO CC[NH+]1CCC(CCNC(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000266709403 510742166 /nfs/dbraw/zinc/74/21/66/510742166.db2.gz HWHMQBMIHKIOPZ-UHFFFAOYSA-N 1 0 364.446 2.525 20 5 FFBDRO O=[N+]([O-])c1cncc(Br)c1N1CCC(c2ncc[nH]2)CC1 ZINC000270358890 510775507 /nfs/dbraw/zinc/77/55/07/510775507.db2.gz JOIMURXCRMDTPO-UHFFFAOYSA-N 1 0 352.192 2.859 20 5 FFBDRO CN(C(=O)CN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000246993765 510788715 /nfs/dbraw/zinc/78/87/15/510788715.db2.gz WNZXZSBSQSZGGJ-KXBFYZLASA-N 1 0 372.469 2.506 20 5 FFBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000185286462 510790351 /nfs/dbraw/zinc/79/03/51/510790351.db2.gz TVOOOHFBQBCUEM-HNNXBMFYSA-N 1 0 359.430 2.560 20 5 FFBDRO C[NH+]1CCC([C@@H]2CCN(C(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)C2)CC1 ZINC000270403362 510795835 /nfs/dbraw/zinc/79/58/35/510795835.db2.gz WBFPQJWZZQCVJN-OAHLLOKOSA-N 1 0 370.453 2.809 20 5 FFBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)n1 ZINC000191717873 510800376 /nfs/dbraw/zinc/80/03/76/510800376.db2.gz UNUQODGUIFMRIX-IBGZPJMESA-N 1 0 371.441 2.596 20 5 FFBDRO COc1cccc(N2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c1[N+](=O)[O-] ZINC000185335506 510811823 /nfs/dbraw/zinc/81/18/23/510811823.db2.gz HQKDAJKKIDNYSB-GJZGRUSLSA-N 1 0 363.458 2.929 20 5 FFBDRO C[C@@H]([NH2+]CCS(=O)(=O)CCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000282312880 510926525 /nfs/dbraw/zinc/92/65/25/510926525.db2.gz HDMKIBYEYVNIFY-OAHLLOKOSA-N 1 0 362.451 2.903 20 5 FFBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000285612369 510978552 /nfs/dbraw/zinc/97/85/52/510978552.db2.gz QEYPASWBAKRZAW-UKRRQHHQSA-N 1 0 364.421 2.621 20 5 FFBDRO COc1ccc(NC(=O)CC[N@@H+]2CCO[C@H]3CCCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000297702932 511040124 /nfs/dbraw/zinc/04/01/24/511040124.db2.gz AVCIOPUDOSADIB-RDJZCZTQSA-N 1 0 363.414 2.575 20 5 FFBDRO O=C(CC[N@@H+]1CCC[C@H](c2ccncn2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000361653693 511076152 /nfs/dbraw/zinc/07/61/52/511076152.db2.gz VCCCULUWYVSRNN-AWEZNQCLSA-N 1 0 355.398 2.593 20 5 FFBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)c1 ZINC000289470176 511101392 /nfs/dbraw/zinc/10/13/92/511101392.db2.gz IZTMWJXJFJKATO-UPJWGTAASA-N 1 0 374.178 2.609 20 5 FFBDRO CN(C)c1cc(F)c(C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000294747952 511163774 /nfs/dbraw/zinc/16/37/74/511163774.db2.gz AIEALWYJOANUPQ-CYBMUJFWSA-N 1 0 364.421 2.500 20 5 FFBDRO CS(=O)(=O)C1(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000279757929 511204628 /nfs/dbraw/zinc/20/46/28/511204628.db2.gz ZLTDSKWLTPRMAI-UHFFFAOYSA-N 1 0 350.396 2.522 20 5 FFBDRO COc1cc(C[NH2+]CCC(C)(C)CO)c([N+](=O)[O-])cc1OCC(F)F ZINC000294873749 511205639 /nfs/dbraw/zinc/20/56/39/511205639.db2.gz UXEPCNQNLFQVIP-UHFFFAOYSA-N 1 0 362.373 2.746 20 5 FFBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000294899161 511213147 /nfs/dbraw/zinc/21/31/47/511213147.db2.gz JCOMFGGXOXHSFG-GFCCVEGCSA-N 1 0 353.394 2.546 20 5 FFBDRO O=C(c1ccc(F)cc1[N+](=O)[O-])N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000279801211 511220441 /nfs/dbraw/zinc/22/04/41/511220441.db2.gz YXJYEHWEGQEPDP-IYBDPMFKSA-N 1 0 369.396 2.938 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2nc(CNC[C@H]3C[N@@H+]4CCC[C@H]4CO3)cs2)c1 ZINC000362719298 511224655 /nfs/dbraw/zinc/22/46/55/511224655.db2.gz IGTGPQPUVQPKDS-IRXDYDNUSA-N 1 0 374.466 2.671 20 5 FFBDRO COCC[N@H+](C)CCCNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000291516861 511228714 /nfs/dbraw/zinc/22/87/14/511228714.db2.gz REAHGSTXOKNULC-UHFFFAOYSA-N 1 0 364.229 2.600 20 5 FFBDRO Cn1cc([C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3)CC23CCOCC3)cn1 ZINC000294943769 511228938 /nfs/dbraw/zinc/22/89/38/511228938.db2.gz HBJFTYCCRQWMKZ-SFHVURJKSA-N 1 0 356.426 2.725 20 5 FFBDRO COCCCN(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C1CC[NH+](C)CC1 ZINC000291523663 511231161 /nfs/dbraw/zinc/23/11/61/511231161.db2.gz YOTRXFVIGAVIHX-RMKNXTFCSA-N 1 0 361.442 2.567 20 5 FFBDRO O=[N+]([O-])c1cnc2ccccc2c1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000291762005 511327579 /nfs/dbraw/zinc/32/75/79/511327579.db2.gz BCFDAHYAOKZFOA-HNNXBMFYSA-N 1 0 356.426 2.692 20 5 FFBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000363097937 511352719 /nfs/dbraw/zinc/35/27/19/511352719.db2.gz RUKYGYOJSYWCCH-HOTGVXAUSA-N 1 0 358.442 2.552 20 5 FFBDRO C[NH+](C)CCOc1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 ZINC000298653063 511362369 /nfs/dbraw/zinc/36/23/69/511362369.db2.gz BKMRPBXTAIIOOE-UHFFFAOYSA-N 1 0 359.382 2.553 20 5 FFBDRO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H]2[C@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000298667489 511368460 /nfs/dbraw/zinc/36/84/60/511368460.db2.gz YHBKQLQPQKGCEC-NVXWUHKLSA-N 1 0 363.414 2.575 20 5 FFBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C1 ZINC000295372930 511381023 /nfs/dbraw/zinc/38/10/23/511381023.db2.gz RVXTVXPZFHUCSX-CQSZACIVSA-N 1 0 371.441 2.789 20 5 FFBDRO COc1ccc(OCC[N@@H+]2CC[C@](CO)(c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000292023457 511435297 /nfs/dbraw/zinc/43/52/97/511435297.db2.gz YMYUEPUXBILDAS-FQEVSTJZSA-N 1 0 372.421 2.618 20 5 FFBDRO CC[C@H]([NH2+]C[C@](O)(c1nccn1C)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000272194064 511460174 /nfs/dbraw/zinc/46/01/74/511460174.db2.gz ZTEGASBGOFGRJT-ZFWWWQNUSA-N 1 0 372.347 2.819 20 5 FFBDRO COC(=O)CC1([NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CCCC1 ZINC000280602959 511528084 /nfs/dbraw/zinc/52/80/84/511528084.db2.gz XFTMDQXEHPQSMF-UHFFFAOYSA-N 1 0 363.414 2.697 20 5 FFBDRO Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC000283930060 511547234 /nfs/dbraw/zinc/54/72/34/511547234.db2.gz VRAFMZXGZRNXSC-UHFFFAOYSA-N 1 0 370.457 2.845 20 5 FFBDRO C[C@@H]1CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000292335060 511556885 /nfs/dbraw/zinc/55/68/85/511556885.db2.gz OWOIUVVQPBUNIG-OAHLLOKOSA-N 1 0 360.458 2.730 20 5 FFBDRO COc1ccc(C[NH+]2CCC(CNc3ncc([N+](=O)[O-])cn3)CC2)cc1 ZINC000273652523 511563776 /nfs/dbraw/zinc/56/37/76/511563776.db2.gz UUQMEHKCRYNOKM-UHFFFAOYSA-N 1 0 357.414 2.718 20 5 FFBDRO CC[C@@H](C)[NH+]1CCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000296025199 511592893 /nfs/dbraw/zinc/59/28/93/511592893.db2.gz MDAPKLXIVDYBJT-OLZOCXBDSA-N 1 0 368.865 2.991 20 5 FFBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000273867403 511637579 /nfs/dbraw/zinc/63/75/79/511637579.db2.gz PINZQPXLUNBDMB-ZDUSSCGKSA-N 1 0 351.422 2.812 20 5 FFBDRO O=C(CC[N@@H+]1CC2(CCOCC2)[C@H]1C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000296220213 511661461 /nfs/dbraw/zinc/66/14/61/511661461.db2.gz PGBYOOGHEAGDOJ-GOSISDBHSA-N 1 0 359.426 2.814 20 5 FFBDRO Cc1cc(Sc2nnc([C@@H]3CCC[NH2+]C3)n2C)c(F)cc1[N+](=O)[O-] ZINC000292620777 511663095 /nfs/dbraw/zinc/66/30/95/511663095.db2.gz NNEQFTBGNLLFMJ-SNVBAGLBSA-N 1 0 351.407 2.789 20 5 FFBDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3ccc(-n4ccnc4)cc3)CC2)n1 ZINC000365820921 511668615 /nfs/dbraw/zinc/66/86/15/511668615.db2.gz OTIAMOHNWYXSCB-UHFFFAOYSA-N 1 0 352.398 2.814 20 5 FFBDRO C[C@H]([NH2+]Cc1ccc(N2CCO[C@@H](C)C2)nc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284309310 511677433 /nfs/dbraw/zinc/67/74/33/511677433.db2.gz ZEAWIVLCHLQEQF-KBPBESRZSA-N 1 0 371.441 2.648 20 5 FFBDRO C[C@H](C(=O)N[C@@H]1CCCC[C@H]1C)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365882267 511707603 /nfs/dbraw/zinc/70/76/03/511707603.db2.gz RLSBTAWICSVFBX-IIAWOOMASA-N 1 0 363.462 2.512 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H](C)[NH+]2CCC(C)CC2)cc1C ZINC000303028223 511724514 /nfs/dbraw/zinc/72/45/14/511724514.db2.gz OYSIDQKOXHJNRL-HNNXBMFYSA-N 1 0 369.487 2.610 20 5 FFBDRO CN(C(=O)c1cc([N+](=O)[O-])c(F)cc1N)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000284452007 511728716 /nfs/dbraw/zinc/72/87/16/511728716.db2.gz RBTHUKZCYIZYGP-CQSZACIVSA-N 1 0 372.400 2.663 20 5 FFBDRO CC(C)(O)C[N@@H+]1CCc2c(cccc2NC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000363729331 511729555 /nfs/dbraw/zinc/72/95/55/511729555.db2.gz KXBXBLRMBMCPIV-UHFFFAOYSA-N 1 0 369.421 2.976 20 5 FFBDRO COc1cc(Cc2noc(-c3ccc4c[nH+]cn4c3)n2)ccc1[N+](=O)[O-] ZINC000350165737 511733496 /nfs/dbraw/zinc/73/34/96/511733496.db2.gz NZFNENPERJXZSO-UHFFFAOYSA-N 1 0 351.322 2.892 20 5 FFBDRO C[C@H]([NH2+]C(C)(C)CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)c1ccccc1 ZINC000303355796 511734771 /nfs/dbraw/zinc/73/47/71/511734771.db2.gz IEWUXYZAEZRKCI-LBPRGKRZSA-N 1 0 358.398 2.555 20 5 FFBDRO CCC[C@@H](C)C(=O)NCC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000292837959 511739923 /nfs/dbraw/zinc/73/99/23/511739923.db2.gz YFTKYZCVFRLEGX-CQSZACIVSA-N 1 0 373.457 2.637 20 5 FFBDRO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000296454841 511749582 /nfs/dbraw/zinc/74/95/82/511749582.db2.gz XEHXFRIQFINIDC-PVRXDPTQSA-N 1 0 367.833 2.978 20 5 FFBDRO CC1(C)[C@H]([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@H]2CCO[C@H]21 ZINC000296477795 511759780 /nfs/dbraw/zinc/75/97/80/511759780.db2.gz YEKASMLYMYNZJG-VCTAVGKDSA-N 1 0 353.806 2.590 20 5 FFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC1(S(C)(=O)=O)CC1 ZINC000281222493 511764627 /nfs/dbraw/zinc/76/46/27/511764627.db2.gz UBZNQZBHKYTTDD-GFCCVEGCSA-N 1 0 358.485 2.632 20 5 FFBDRO CC[NH2+]CC1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000317285086 511803867 /nfs/dbraw/zinc/80/38/67/511803867.db2.gz RMWJOBYVZBUPRT-UHFFFAOYSA-N 1 0 370.247 2.819 20 5 FFBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000284642832 511806344 /nfs/dbraw/zinc/80/63/44/511806344.db2.gz CPDBXDRTGYPLNA-UHFFFAOYSA-N 1 0 358.373 2.698 20 5 FFBDRO CCNC(=O)C[C@@H]1CCCC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000284654047 511810336 /nfs/dbraw/zinc/81/03/36/511810336.db2.gz GCVCAGJKMGNHKJ-HNNXBMFYSA-N 1 0 373.413 2.526 20 5 FFBDRO C[C@@H]1CN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000296699749 511860560 /nfs/dbraw/zinc/86/05/60/511860560.db2.gz KVMPOSYPTANAKJ-GFCCVEGCSA-N 1 0 366.849 2.603 20 5 FFBDRO C[C@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccc([N+](=O)[O-])cc1 ZINC000296724924 511871318 /nfs/dbraw/zinc/87/13/18/511871318.db2.gz NJEJHCPVLYTNGV-LBPRGKRZSA-N 1 0 370.365 2.743 20 5 FFBDRO COc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000296787345 511896264 /nfs/dbraw/zinc/89/62/64/511896264.db2.gz SLYHHQOBWLWNLR-LBPRGKRZSA-N 1 0 359.382 2.901 20 5 FFBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000364015046 511907900 /nfs/dbraw/zinc/90/79/00/511907900.db2.gz VWIQDYZIHSYACV-GFCCVEGCSA-N 1 0 355.797 2.627 20 5 FFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]Cc1cccc(N2CCOCC2)n1 ZINC000274757964 511931834 /nfs/dbraw/zinc/93/18/34/511931834.db2.gz GIMBUZMPXRTGDG-GQCTYLIASA-N 1 0 354.410 2.629 20 5 FFBDRO [NH3+]C[C@@H]1CN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C[C@H]1c1ccccc1 ZINC000281741466 511950354 /nfs/dbraw/zinc/95/03/54/511950354.db2.gz HSOUZLBMLLSOJZ-NZVCTJPZSA-N 1 0 351.406 2.809 20 5 FFBDRO O=[N+]([O-])c1cccc(-n2cc(-c3nc(-c4ccn5c[nH+]cc5c4)no3)nn2)c1 ZINC000351109529 511956930 /nfs/dbraw/zinc/95/69/30/511956930.db2.gz VDBIJECHMPBWFQ-UHFFFAOYSA-N 1 0 374.320 2.540 20 5 FFBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CCN(C)[C@H](c2nc(C3CC3)no2)C1 ZINC000284997491 511962472 /nfs/dbraw/zinc/96/24/72/511962472.db2.gz TWNZYTTWMHTWRQ-WBMJQRKESA-N 1 0 357.414 2.905 20 5 FFBDRO O=[N+]([O-])c1ccc2[nH]c(NCC3([NH+]4CCCCC4)CCOCC3)nc2c1 ZINC000296958127 511966035 /nfs/dbraw/zinc/96/60/35/511966035.db2.gz CLWJWLDRFQALBP-UHFFFAOYSA-N 1 0 359.430 2.918 20 5 FFBDRO C[C@H]1CC[C@H](C)[NH+]1Cc1nc(-c2ccc(-n3cncn3)c([N+](=O)[O-])c2)no1 ZINC000351201781 511980928 /nfs/dbraw/zinc/98/09/28/511980928.db2.gz OXUNPWBNHFBCHL-RYUDHWBXSA-N 1 0 369.385 2.598 20 5 FFBDRO CC(C)c1ccc(C[NH2+]C[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)cc1[N+](=O)[O-] ZINC000360018719 512064168 /nfs/dbraw/zinc/06/41/68/512064168.db2.gz HLMIXKYOMBEZFR-IFXJQAMLSA-N 1 0 374.441 2.528 20 5 FFBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc([N+](=O)[O-])cc1Br ZINC000377776704 512444467 /nfs/dbraw/zinc/44/44/67/512444467.db2.gz HFWOULXORHIHEJ-WDEREUQCSA-N 1 0 368.231 2.714 20 5 FFBDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3ccc(N4CCCC4)nc3)CC2)n1 ZINC000369556738 512476915 /nfs/dbraw/zinc/47/69/15/512476915.db2.gz OXAUJDROOSIDPS-UHFFFAOYSA-N 1 0 356.430 2.624 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000373760736 512492329 /nfs/dbraw/zinc/49/23/29/512492329.db2.gz MAZABDGXZMHTLW-AWEZNQCLSA-N 1 0 357.414 2.979 20 5 FFBDRO CN(C(=O)C[N@@H+]1CCC[C@@H](C[C@H]2CCOC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000375830526 512528591 /nfs/dbraw/zinc/52/85/91/512528591.db2.gz KLRVPZBMJABWGJ-JKSUJKDBSA-N 1 0 361.442 2.696 20 5 FFBDRO CN(C(=O)C[N@@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000375830524 512528756 /nfs/dbraw/zinc/52/87/56/512528756.db2.gz KLRVPZBMJABWGJ-HOTGVXAUSA-N 1 0 361.442 2.696 20 5 FFBDRO COC(=O)[C@H]1CCCC[C@@]1(C)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411404166 512618832 /nfs/dbraw/zinc/61/88/32/512618832.db2.gz DOVGYRBZBLULRK-CRAIPNDOSA-N 1 0 363.414 2.635 20 5 FFBDRO CC(C)[NH+]1CCN([C@@H]2CCN(Cc3ccc([N+](=O)[O-])cc3Cl)C2)CC1 ZINC000367768265 512654392 /nfs/dbraw/zinc/65/43/92/512654392.db2.gz IDJDPLWJDCQROP-QGZVFWFLSA-N 1 0 366.893 2.849 20 5 FFBDRO CCc1ccc([C@@H](CO)[NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000411510668 512668304 /nfs/dbraw/zinc/66/83/04/512668304.db2.gz OEUNVMQLSYWTIL-GOSISDBHSA-N 1 0 357.410 2.809 20 5 FFBDRO O=C(CC[NH2+][C@H]1CCCC[C@H]1n1cccn1)Nc1ccccc1[N+](=O)[O-] ZINC000411559453 512688881 /nfs/dbraw/zinc/68/88/81/512688881.db2.gz NQNIUBXJOHJUDX-GOEBONIOSA-N 1 0 357.414 2.893 20 5 FFBDRO COc1ccc(NC(=O)CC[NH+]2CCC(c3c[nH]cn3)CC2)c([N+](=O)[O-])c1 ZINC000374199825 512704108 /nfs/dbraw/zinc/70/41/08/512704108.db2.gz LLINPQBTFVUYQG-UHFFFAOYSA-N 1 0 373.413 2.535 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC2(CCC[N@H+]2C)CC1 ZINC000378431351 512755586 /nfs/dbraw/zinc/75/55/86/512755586.db2.gz PFWLXTDXQARXGY-UHFFFAOYSA-N 1 0 360.458 2.792 20 5 FFBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])c3cnccc32)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000374314692 512761110 /nfs/dbraw/zinc/76/11/10/512761110.db2.gz XBTLZZLCGCUUEN-CRAIPNDOSA-N 1 0 369.469 2.605 20 5 FFBDRO NC(=O)c1ccc(C[N@@H+]2CC[C@@]3(C2)CCc2ccccc2O3)c([N+](=O)[O-])c1 ZINC000368087183 512796963 /nfs/dbraw/zinc/79/69/63/512796963.db2.gz CWAJCMWJMWCIKW-HXUWFJFHSA-N 1 0 367.405 2.663 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N3CC[C@@H]4CC[NH2+][C@@H]4C3)cc2[N+](=O)[O-])CC1 ZINC000376458302 512827099 /nfs/dbraw/zinc/82/70/99/512827099.db2.gz QNTDRVVTEPDWMA-DOTOQJQBSA-N 1 0 372.469 2.655 20 5 FFBDRO O=C(CC[NH+]1CCC(c2ccncn2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411828307 512834425 /nfs/dbraw/zinc/83/44/25/512834425.db2.gz OQPXXBHXNYCAAX-UHFFFAOYSA-N 1 0 355.398 2.593 20 5 FFBDRO Cn1cnc([N+](=O)[O-])c1CN[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000374533414 512878116 /nfs/dbraw/zinc/87/81/16/512878116.db2.gz BHMNPKBLGNPNCS-QGZVFWFLSA-N 1 0 357.458 2.719 20 5 FFBDRO Cc1ccnc(NCC2(O)CC[NH+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000397602850 512947616 /nfs/dbraw/zinc/94/76/16/512947616.db2.gz OKBQOAYJUWUCIV-UHFFFAOYSA-N 1 0 356.426 2.737 20 5 FFBDRO Cc1c[nH+]ccc1N1CCC(C(=O)Nc2ccc([N+](=O)[O-])c(C)n2)CC1 ZINC000370592479 513008185 /nfs/dbraw/zinc/00/81/85/513008185.db2.gz HETHQPSTWFASLN-UHFFFAOYSA-N 1 0 355.398 2.857 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])cn1)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000368602573 513021293 /nfs/dbraw/zinc/02/12/93/513021293.db2.gz KCCKKCXWPMYAQS-FQEVSTJZSA-N 1 0 366.421 2.728 20 5 FFBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(c3ccccc3C(N)=O)C2)cc1[N+](=O)[O-] ZINC000370636644 513026744 /nfs/dbraw/zinc/02/67/44/513026744.db2.gz SAGGRCATVZYJQD-GOEBONIOSA-N 1 0 368.437 2.932 20 5 FFBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC000412351197 513050750 /nfs/dbraw/zinc/05/07/50/513050750.db2.gz ANIQCFRQEVXBOU-LBPRGKRZSA-N 1 0 355.410 2.522 20 5 FFBDRO Cc1cn2c(n1)[C@H](C[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)CCC2 ZINC000370682476 513050912 /nfs/dbraw/zinc/05/09/12/513050912.db2.gz NYULXZCHNKKASJ-ZFWWWQNUSA-N 1 0 371.441 2.984 20 5 FFBDRO [NH3+]C[C@@H]1CN(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)CCO1 ZINC000415183933 513137965 /nfs/dbraw/zinc/13/79/65/513137965.db2.gz CUAMXBKNDPWEQO-QGZVFWFLSA-N 1 0 372.381 2.579 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N3CCC[C@@H](C[NH3+])C3)cc2[N+](=O)[O-])C1 ZINC000428607789 513141046 /nfs/dbraw/zinc/14/10/46/513141046.db2.gz SEMGUPQUUIBCAT-CABCVRRESA-N 1 0 360.458 2.642 20 5 FFBDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000445904613 513143746 /nfs/dbraw/zinc/14/37/46/513143746.db2.gz RXVGSNZSQCQTAM-GASCZTMLSA-N 1 0 360.458 2.925 20 5 FFBDRO CC(C)c1n[nH]c(C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000433828105 513160826 /nfs/dbraw/zinc/16/08/26/513160826.db2.gz HMYGITCQCIOKOP-ZDUSSCGKSA-N 1 0 351.451 2.683 20 5 FFBDRO CC(C)c1n[nH]c(C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000433832095 513162152 /nfs/dbraw/zinc/16/21/52/513162152.db2.gz HGRMBDUQAIETPA-BETUJISGSA-N 1 0 351.451 2.539 20 5 FFBDRO Cc1ccc(NCCCNC(=O)NC[C@H]2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000417716689 513177509 /nfs/dbraw/zinc/17/75/09/513177509.db2.gz LSTAZAIIGLNQTP-GJZGRUSLSA-N 1 0 363.462 2.522 20 5 FFBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1C[C@@H](SC)[C@H]([NH+](C)C)C1 ZINC000450409088 513181692 /nfs/dbraw/zinc/18/16/92/513181692.db2.gz XCAOGPHIRWMONA-HZPDHXFCSA-N 1 0 362.455 2.633 20 5 FFBDRO C[C@@H]([NH3+])C1CCN(C(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000428899822 513218821 /nfs/dbraw/zinc/21/88/21/513218821.db2.gz GKVJERFWOWAPQG-MNOVXSKESA-N 1 0 355.822 2.601 20 5 FFBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[N@@H+]([C@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000429001792 513248794 /nfs/dbraw/zinc/24/87/94/513248794.db2.gz WZHFBRAJVKXBPV-FSZRXZPDSA-N 1 0 360.458 2.584 20 5 FFBDRO C[N@H+](CCN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)Cc1ccccc1 ZINC000450569715 513255230 /nfs/dbraw/zinc/25/52/30/513255230.db2.gz OKIHSCKEXFDHCU-KRWDZBQOSA-N 1 0 355.442 2.608 20 5 FFBDRO O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N[C@H]1C[NH2+]CCC1(F)F ZINC000415443352 513263826 /nfs/dbraw/zinc/26/38/26/513263826.db2.gz QYACIHITYWETNH-JTQLQIEISA-N 1 0 368.262 2.732 20 5 FFBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CCOCCOc3ccccc3)C2)nc1 ZINC000440505133 513337909 /nfs/dbraw/zinc/33/79/09/513337909.db2.gz YFWCFIPMPYGCQO-INIZCTEOSA-N 1 0 372.425 2.572 20 5 FFBDRO CCc1ccccc1[C@H]([NH3+])CNC(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000418078566 513363913 /nfs/dbraw/zinc/36/39/13/513363913.db2.gz JPQJWLQBIYRQEL-QGZVFWFLSA-N 1 0 356.426 2.965 20 5 FFBDRO [NH3+][C@@H]1CCC[C@H](CNC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000418087748 513367925 /nfs/dbraw/zinc/36/79/25/513367925.db2.gz IASNUWMUBKWOAQ-GXFFZTMASA-N 1 0 374.363 2.930 20 5 FFBDRO COc1cc(C[NH2+]CC[C@H]2COc3ccccc3O2)c([N+](=O)[O-])cc1OC ZINC000418105612 513373839 /nfs/dbraw/zinc/37/38/39/513373839.db2.gz YEYLHYFBSSUGJS-AWEZNQCLSA-N 1 0 374.393 2.932 20 5 FFBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@@H]2CCN(CC(F)F)C2)c1 ZINC000418128426 513381626 /nfs/dbraw/zinc/38/16/26/513381626.db2.gz BLHMJGLYCQBRCS-SNVBAGLBSA-N 1 0 351.300 2.625 20 5 FFBDRO C[C@@H]1CCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000415705262 513390491 /nfs/dbraw/zinc/39/04/91/513390491.db2.gz SWPSRAAPKJWDTI-NOZJJQNGSA-N 1 0 371.235 2.948 20 5 FFBDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000415708106 513392643 /nfs/dbraw/zinc/39/26/43/513392643.db2.gz WVMKXLSLMXFLER-NXEZZACHSA-N 1 0 357.208 2.749 20 5 FFBDRO Cc1c(Br)c(N(C)[C@@H]2CC[N@@H+](C(C)C)C2)ncc1[N+](=O)[O-] ZINC000450951887 513423000 /nfs/dbraw/zinc/42/30/00/513423000.db2.gz GUQVSSAAQPYVFB-LLVKDONJSA-N 1 0 357.252 2.980 20 5 FFBDRO C[C@H]1CCCN(c2ccc(C(=O)N3CC[C@H]4CC[C@@H](C3)[NH2+]4)cc2[N+](=O)[O-])C1 ZINC000429636702 513428302 /nfs/dbraw/zinc/42/83/02/513428302.db2.gz PUERFPUBXQJEIU-UAGQMJEPSA-N 1 0 372.469 2.798 20 5 FFBDRO CC(C)(CO)[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000429712569 513448690 /nfs/dbraw/zinc/44/86/90/513448690.db2.gz BZUICODRSDAQQM-IEBWSBKVSA-N 1 0 374.437 2.684 20 5 FFBDRO NC(=O)Nc1ccc(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000447535693 513500950 /nfs/dbraw/zinc/50/09/50/513500950.db2.gz HTBVADQJVXVAMS-HUUCEWRRSA-N 1 0 358.402 2.555 20 5 FFBDRO O=C(NCCc1ccccc1[N+](=O)[O-])Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000415961935 513502612 /nfs/dbraw/zinc/50/26/12/513502612.db2.gz SGMUPKAABDDNNJ-UHFFFAOYSA-N 1 0 358.373 2.744 20 5 FFBDRO Cc1cccc(OC[C@H](O)C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000447543218 513503775 /nfs/dbraw/zinc/50/37/75/513503775.db2.gz LDQVZRXBAMLMPK-NXHRZFHOSA-N 1 0 374.441 2.613 20 5 FFBDRO O=C1C[C@H]([NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CN1c1ccccc1 ZINC000447560473 513508943 /nfs/dbraw/zinc/50/89/43/513508943.db2.gz CZORXYCUEVFRTN-XIRDDKMYSA-N 1 0 369.425 2.670 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCC[C@H]([C@@H]4CCOC4)C3)o2)cc1 ZINC000441205335 513513485 /nfs/dbraw/zinc/51/34/85/513513485.db2.gz OGZIFMWTPNFVLU-LSDHHAIUSA-N 1 0 358.398 2.893 20 5 FFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCc2cnc(C3CC3)nc2)n1 ZINC000447582955 513513859 /nfs/dbraw/zinc/51/38/59/513513859.db2.gz ALFBTIKSVHLMJA-HOTGVXAUSA-N 1 0 356.430 2.775 20 5 FFBDRO Cc1nn(C)c(C)c1CCC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447588290 513515816 /nfs/dbraw/zinc/51/58/16/513515816.db2.gz UPRPCQZRTYSFJA-DLBZAZTESA-N 1 0 360.462 2.848 20 5 FFBDRO Cc1ccccc1C[C@H](CO)[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447592669 513516743 /nfs/dbraw/zinc/51/67/43/513516743.db2.gz MZIYYGISWNNJNJ-KURKYZTESA-N 1 0 358.442 2.777 20 5 FFBDRO CC[NH+]1CCC(N2CCCN(C(=O)c3cc(C)cc([N+](=O)[O-])c3)CC2)CC1 ZINC000422014427 513524294 /nfs/dbraw/zinc/52/42/94/513524294.db2.gz YXDJVNWZFQEDNI-UHFFFAOYSA-N 1 0 374.485 2.535 20 5 FFBDRO COc1ccc(C[NH2+][C@H](C2CCOCC2)C2(CO)CCC2)cc1[N+](=O)[O-] ZINC000425372320 513533825 /nfs/dbraw/zinc/53/38/25/513533825.db2.gz NLBXTQVJKOZRTO-GOSISDBHSA-N 1 0 364.442 2.651 20 5 FFBDRO O=C(Cn1c2ccccc2c(=O)c2ccccc21)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435229220 513538438 /nfs/dbraw/zinc/53/84/38/513538438.db2.gz FRAZLWSEWOIWST-MRXNPFEDSA-N 1 0 361.445 2.508 20 5 FFBDRO C[C@@]1(CNC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CCC[NH2+]C1 ZINC000418553134 513553769 /nfs/dbraw/zinc/55/37/69/513553769.db2.gz VBNMWPFOLUSCLK-VQIMIIECSA-N 1 0 360.458 2.874 20 5 FFBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000418561683 513558573 /nfs/dbraw/zinc/55/85/73/513558573.db2.gz ZIJGSRJGPVCGGV-UHFFFAOYSA-N 1 0 354.410 2.582 20 5 FFBDRO COc1cc(CN2CCC[NH2+]CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000435377446 513568540 /nfs/dbraw/zinc/56/85/40/513568540.db2.gz BNOOMLMKVXPQIG-UHFFFAOYSA-N 1 0 371.437 2.978 20 5 FFBDRO COc1cc(CN2CC[NH2+]CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000435374863 513568666 /nfs/dbraw/zinc/56/86/66/513568666.db2.gz RUKFQFDAKWNWSH-UHFFFAOYSA-N 1 0 357.410 2.588 20 5 FFBDRO CO[C@H]1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@H](C[NH3+])C1 ZINC000435375431 513569360 /nfs/dbraw/zinc/56/93/60/513569360.db2.gz VASBHGZYSFALLT-HOTGVXAUSA-N 1 0 362.455 2.656 20 5 FFBDRO COc1ccc(CN2CC[C@@H](C[NH3+])C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000435381141 513570899 /nfs/dbraw/zinc/57/08/99/513570899.db2.gz RPEIVROYSVAYOC-KRWDZBQOSA-N 1 0 371.437 2.963 20 5 FFBDRO C[NH2+][C@@H]1CCN(Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000435388334 513572663 /nfs/dbraw/zinc/57/26/63/513572663.db2.gz FGTSEMXZTHEYKH-QGZVFWFLSA-N 1 0 371.437 2.976 20 5 FFBDRO CC(C)C[C@@H](CNc1cc(CN2CCOCC2)ccc1[N+](=O)[O-])[NH+](C)C ZINC000447815703 513580219 /nfs/dbraw/zinc/58/02/19/513580219.db2.gz FZPBNOWPFLDRRT-KRWDZBQOSA-N 1 0 364.490 2.815 20 5 FFBDRO COCCN(Cc1ccc(Br)cc1[N+](=O)[O-])[C@H]1CCO[C@H]1C ZINC000425467614 513581915 /nfs/dbraw/zinc/58/19/15/513581915.db2.gz BTVHMGLPICWUMY-FZMZJTMJSA-N 1 0 373.247 2.983 20 5 FFBDRO COC[C@@H]([NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000425468247 513583366 /nfs/dbraw/zinc/58/33/66/513583366.db2.gz CFQHHQWUZLIEQQ-TZMCWYRMSA-N 1 0 359.220 2.641 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1CN(Cc1nccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000435434289 513585845 /nfs/dbraw/zinc/58/58/45/513585845.db2.gz XFKAATDBMYWFOC-GOSISDBHSA-N 1 0 369.469 2.781 20 5 FFBDRO COc1ccc(NC(=O)CC[N@@H+]2CCO[C@@H](C(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000447828090 513586629 /nfs/dbraw/zinc/58/66/29/513586629.db2.gz DIZUQTZHEPBLQK-MRXNPFEDSA-N 1 0 365.430 2.679 20 5 FFBDRO O=C(c1cc([N+](=O)[O-])c[nH]1)N(Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435558431 513618921 /nfs/dbraw/zinc/61/89/21/513618921.db2.gz FJCFAAJFVINNDR-OAHLLOKOSA-N 1 0 360.439 2.769 20 5 FFBDRO Cc1c(CN(Cc2nccn2C)[C@H]2CC23CC[NH2+]CC3)cccc1[N+](=O)[O-] ZINC000435695929 513660627 /nfs/dbraw/zinc/66/06/27/513660627.db2.gz OQQHCSZYOPTVIN-SFHVURJKSA-N 1 0 369.469 2.781 20 5 FFBDRO C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3F)nc2)C1 ZINC000448182105 513700304 /nfs/dbraw/zinc/70/03/04/513700304.db2.gz XBYGDDSPOLYTAS-CQSZACIVSA-N 1 0 373.388 2.522 20 5 FFBDRO COc1cc(CN2CCC[C@H]([C@H](C)[NH3+])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000430598570 513700925 /nfs/dbraw/zinc/70/09/25/513700925.db2.gz TVYVIVWFUQZRIC-QWRGUYRKSA-N 1 0 359.373 2.764 20 5 FFBDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)NCCCCc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000425688699 513703125 /nfs/dbraw/zinc/70/31/25/513703125.db2.gz ZTKSLRDDKSETMF-FUHWJXTLSA-N 1 0 360.458 2.653 20 5 FFBDRO [NH3+]CC[C@@H]1CCCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000442617603 513746233 /nfs/dbraw/zinc/74/62/33/513746233.db2.gz GUQHGFSNUTYZGH-LBPRGKRZSA-N 1 0 360.439 2.919 20 5 FFBDRO Cc1cc(OCC(=O)N2CC[NH+](C3CCCCC3)CC2)ccc1[N+](=O)[O-] ZINC000430782888 513747724 /nfs/dbraw/zinc/74/77/24/513747724.db2.gz KIFGPWIKNDCHAU-UHFFFAOYSA-N 1 0 361.442 2.759 20 5 FFBDRO CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000430824352 513758843 /nfs/dbraw/zinc/75/88/43/513758843.db2.gz WKUZRPNBHDXGQU-CRAIPNDOSA-N 1 0 363.458 2.990 20 5 FFBDRO Cc1cc(S(=O)(=O)NC2CCC(C[NH+](C)C)CC2)c(C)cc1[N+](=O)[O-] ZINC000416450375 513777695 /nfs/dbraw/zinc/77/76/95/513777695.db2.gz XSCYCDLJGYACJO-UHFFFAOYSA-N 1 0 369.487 2.610 20 5 FFBDRO Cc1c(NC(=O)[C@@H](C)N2CC[NH2+]Cc3ccccc32)cccc1[N+](=O)[O-] ZINC000430927218 513782715 /nfs/dbraw/zinc/78/27/15/513782715.db2.gz PZQQEDGSIBLHSE-CQSZACIVSA-N 1 0 354.410 2.840 20 5 FFBDRO COc1ccc(NC(=O)CC[NH2+][C@@H]2[C@H](C)[C@@H](OC)C2(C)C)c([N+](=O)[O-])c1 ZINC000451496664 513788980 /nfs/dbraw/zinc/78/89/80/513788980.db2.gz IYQDMJJTAUOXHI-YMRXKLBXSA-N 1 0 365.430 2.581 20 5 FFBDRO O=C(COc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000436255181 513807113 /nfs/dbraw/zinc/80/71/13/513807113.db2.gz WOEFZHNHZHYEKR-KRWDZBQOSA-N 1 0 361.442 2.887 20 5 FFBDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000436288533 513817266 /nfs/dbraw/zinc/81/72/66/513817266.db2.gz VYKVRMWUAUJCCI-NFAWXSAZSA-N 1 0 363.414 2.633 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C(C)C)[C@H](CO)C(C)C ZINC000451590236 513851746 /nfs/dbraw/zinc/85/17/46/513851746.db2.gz BIUODGLVPAAKGB-QAPCUYQASA-N 1 0 351.447 2.720 20 5 FFBDRO CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000451592819 513854837 /nfs/dbraw/zinc/85/48/37/513854837.db2.gz RMEQRYJSVKAAOG-MAZHCROVSA-N 1 0 363.414 2.633 20 5 FFBDRO CC(C)(C)OC(=O)[C@@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000426193912 513868718 /nfs/dbraw/zinc/86/87/18/513868718.db2.gz KTXVNCIJQLJHBU-CYBMUJFWSA-N 1 0 363.414 2.587 20 5 FFBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H]([C@H](CO)C2CC2)C2CC2)cccc1[N+](=O)[O-] ZINC000451616637 513868857 /nfs/dbraw/zinc/86/88/57/513868857.db2.gz WBSBGKITOAFBFK-WBHUJUFNSA-N 1 0 361.442 2.617 20 5 FFBDRO CC(C)[NH+]1CCN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000426281476 513895326 /nfs/dbraw/zinc/89/53/26/513895326.db2.gz ZAJVUSXJCGYCFP-UHFFFAOYSA-N 1 0 374.363 2.849 20 5 FFBDRO [NH3+][C@@H]1CCCN(C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C1 ZINC000422687314 513903183 /nfs/dbraw/zinc/90/31/83/513903183.db2.gz BLTAUAMTJNEXGI-GFCCVEGCSA-N 1 0 357.360 2.523 20 5 FFBDRO O=C(CNc1ccc([N+](=O)[O-])c2cccnc12)NCC[NH+]1CCCCCC1 ZINC000431486850 513908699 /nfs/dbraw/zinc/90/86/99/513908699.db2.gz WEHYYZATQLPWQV-UHFFFAOYSA-N 1 0 371.441 2.547 20 5 FFBDRO Cc1c(NC(=O)CC[N@@H+]2CC[C@@H]3C[C@H](O)CC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000451691486 513914249 /nfs/dbraw/zinc/91/42/49/513914249.db2.gz CHAPOFQEYSACFM-OWCLPIDISA-N 1 0 361.442 2.715 20 5 FFBDRO Cc1cc(OCC(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000431831631 514013625 /nfs/dbraw/zinc/01/36/25/514013625.db2.gz HGOPVDVMCXYVPX-IFXJQAMLSA-N 1 0 363.458 2.909 20 5 FFBDRO CC[NH+](CC)[C@@H](CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)CC(C)C ZINC000443756076 514037132 /nfs/dbraw/zinc/03/71/32/514037132.db2.gz MCEGONIZEJPPAX-QGZVFWFLSA-N 1 0 371.503 2.771 20 5 FFBDRO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000443811445 514048366 /nfs/dbraw/zinc/04/83/66/514048366.db2.gz OSYWCQVXBQFQPT-INIZCTEOSA-N 1 0 367.833 2.575 20 5 FFBDRO C[C@@](CO)([NH2+]CCn1cc([N+](=O)[O-])cn1)c1cc(Cl)cc(Cl)c1 ZINC000451901786 514056856 /nfs/dbraw/zinc/05/68/56/514056856.db2.gz BRQJMUPVIQTRRN-AWEZNQCLSA-N 1 0 359.213 2.595 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]3C[NH2+]C[C@H]3C2)nc1OCc1ccccc1 ZINC000420257751 514062872 /nfs/dbraw/zinc/06/28/72/514062872.db2.gz KMOBXSLNKBZWFI-CVEARBPZSA-N 1 0 354.410 2.615 20 5 FFBDRO COc1cccc(N2C[C@H]([NH2+][C@@H](C)Cc3ccccc3[N+](=O)[O-])CC2=O)c1 ZINC000449110258 514075387 /nfs/dbraw/zinc/07/53/87/514075387.db2.gz BRRWLFVNNSTCAO-GOEBONIOSA-N 1 0 369.421 2.930 20 5 FFBDRO COc1ccc(OCC[N@H+](C)Cc2ccc(OC)c(O)c2)c([N+](=O)[O-])c1 ZINC000427001204 514089186 /nfs/dbraw/zinc/08/91/86/514089186.db2.gz RHHSVGHWEXRRPS-UHFFFAOYSA-N 1 0 362.382 2.828 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2noc(CN3CCC([C@H]4CCC[NH2+]4)CC3)n2)cc1 ZINC000420330779 514096927 /nfs/dbraw/zinc/09/69/27/514096927.db2.gz BSPTUMKADGUNOO-MRXNPFEDSA-N 1 0 357.414 2.609 20 5 FFBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000437182505 514108162 /nfs/dbraw/zinc/10/81/62/514108162.db2.gz JBMRNLMBATZZNL-CQSZACIVSA-N 1 0 369.849 2.960 20 5 FFBDRO CCOC(=O)c1csc(CC[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])n1 ZINC000449270096 514138706 /nfs/dbraw/zinc/13/87/06/514138706.db2.gz PGNUKSHGKYNSGQ-LBPRGKRZSA-N 1 0 363.439 2.991 20 5 FFBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000449274904 514142320 /nfs/dbraw/zinc/14/23/20/514142320.db2.gz IEFIUHQYPFAGMY-NRFANRHFSA-N 1 0 367.449 2.965 20 5 FFBDRO C[NH+](C)Cc1ccc(NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])c(F)c1 ZINC000414476011 514142694 /nfs/dbraw/zinc/14/26/94/514142694.db2.gz WNVLMKMJTFGJSM-UHFFFAOYSA-N 1 0 367.402 2.737 20 5 FFBDRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])C[C@H]12 ZINC000423526490 514161462 /nfs/dbraw/zinc/16/14/62/514161462.db2.gz LIZQQLQMSUFXFN-ZMLRMANQSA-N 1 0 355.847 2.536 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCn1cc(Br)cn1 ZINC000449323561 514166497 /nfs/dbraw/zinc/16/64/97/514166497.db2.gz WCLQDZVCYKIEDH-NSHDSACASA-N 1 0 353.220 2.775 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@@H](CO)[C@@H]3CCCOC3)cs2)c1 ZINC000414546119 514172896 /nfs/dbraw/zinc/17/28/96/514172896.db2.gz GIFJIDUMLZIYFE-CJNGLKHVSA-N 1 0 363.439 2.595 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C[C@H]3CCCN3CCCO)o2)c1 ZINC000449385088 514188837 /nfs/dbraw/zinc/18/88/37/514188837.db2.gz DPDOCVNVCRAUJX-QGZVFWFLSA-N 1 0 359.426 2.791 20 5 FFBDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000432519059 514216555 /nfs/dbraw/zinc/21/65/55/514216555.db2.gz MSELYPGXGGMWEW-RHSMWYFYSA-N 1 0 368.437 2.935 20 5 FFBDRO O=[N+]([O-])c1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)c2c(c1)COCO2 ZINC000449455052 514217111 /nfs/dbraw/zinc/21/71/11/514217111.db2.gz QEBYSMRJMBFYSK-RCCFBDPRSA-N 1 0 362.426 2.977 20 5 FFBDRO COC(=O)COc1ccc(C[N@@H+]2C[C@@H](C3CC3)[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000449542638 514247720 /nfs/dbraw/zinc/24/77/20/514247720.db2.gz QUYKEFHRFITTCE-KXBFYZLASA-N 1 0 360.410 2.767 20 5 FFBDRO C[C@H](CCC[NH3+])NC(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000449570171 514258089 /nfs/dbraw/zinc/25/80/89/514258089.db2.gz JDXLPLZPBHEFMJ-QLFBSQMISA-N 1 0 362.474 2.934 20 5 FFBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N(C)C3CC([NH3+])C3)cc2[N+](=O)[O-])C1 ZINC000449632173 514273831 /nfs/dbraw/zinc/27/38/31/514273831.db2.gz QJZDPZPUJMSHKG-KCNJBTMXSA-N 1 0 360.458 2.639 20 5 FFBDRO CCOc1cc(NC(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)c([N+](=O)[O-])cc1OCC ZINC000414752645 514273816 /nfs/dbraw/zinc/27/38/16/514273816.db2.gz CFMHLMOPWPCVJV-RYUDHWBXSA-N 1 0 366.418 2.593 20 5 FFBDRO CCOc1cc(C(=O)Nc2ccc(C[NH2+]C)cc2)c([N+](=O)[O-])cc1OC ZINC000449627332 514274481 /nfs/dbraw/zinc/27/44/81/514274481.db2.gz ZOLIRIFASDZPNI-UHFFFAOYSA-N 1 0 359.382 2.974 20 5 FFBDRO CCOc1cc(NC(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)c([N+](=O)[O-])cc1OCC ZINC000414762089 514279015 /nfs/dbraw/zinc/27/90/15/514279015.db2.gz VJOFBRKLSAIJDT-VXGBXAGGSA-N 1 0 366.418 2.606 20 5 FFBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N(C)[C@H](C[NH3+])C3CC3)cc2[N+](=O)[O-])C1 ZINC000423943262 514299131 /nfs/dbraw/zinc/29/91/31/514299131.db2.gz COSXDKCVHNKLDL-PJIJBLCYSA-N 1 0 374.485 2.886 20 5 FFBDRO Cc1cc(Br)ccc1C[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000444710129 514301765 /nfs/dbraw/zinc/30/17/65/514301765.db2.gz ULYIHRQODHSZPB-UHFFFAOYSA-N 1 0 353.220 2.994 20 5 FFBDRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000449696145 514309966 /nfs/dbraw/zinc/30/99/66/514309966.db2.gz HJLNEBNZZHTQTR-AWEZNQCLSA-N 1 0 360.439 2.836 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N[C@H]3CC[C@@H](C[NH3+])C3)cc2[N+](=O)[O-])C1 ZINC000449708429 514316244 /nfs/dbraw/zinc/31/62/44/514316244.db2.gz GRZPXFPLJIUZBX-FMKPAKJESA-N 1 0 360.458 2.688 20 5 FFBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000423973850 514317170 /nfs/dbraw/zinc/31/71/70/514317170.db2.gz NAJHGTJYAZOCIG-YJBOKZPZSA-N 1 0 360.458 2.778 20 5 FFBDRO O=C(COc1ccccc1[N+](=O)[O-])Nc1nc(C2CC[NH2+]CC2)cs1 ZINC000423980559 514321190 /nfs/dbraw/zinc/32/11/90/514321190.db2.gz SGVLCFQYUSRMGB-UHFFFAOYSA-N 1 0 362.411 2.536 20 5 FFBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000420830619 514324460 /nfs/dbraw/zinc/32/44/60/514324460.db2.gz AMYDOKYTAAJIDZ-ZDUSSCGKSA-N 1 0 374.363 2.849 20 5 FFBDRO O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000449737144 514327294 /nfs/dbraw/zinc/32/72/94/514327294.db2.gz YAWSGONLHOJNIE-SWLSCSKDSA-N 1 0 358.423 2.542 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N[C@@H]3CC[NH2+]C3(C)C)cc2[N+](=O)[O-])CC1 ZINC000449746775 514333711 /nfs/dbraw/zinc/33/37/11/514333711.db2.gz GXOJSXWBHRJDPM-QGZVFWFLSA-N 1 0 360.458 2.701 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])[nH]1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000427910113 514345403 /nfs/dbraw/zinc/34/54/03/514345403.db2.gz WVUXZQSHUCQPMZ-HOTGVXAUSA-N 1 0 354.410 2.517 20 5 FFBDRO Cc1cc(C(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000424032253 514348821 /nfs/dbraw/zinc/34/88/21/514348821.db2.gz CERKLYDFGGGGDG-SJORKVTESA-N 1 0 357.385 2.999 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCO[C@H](c2nccn2C)C1 ZINC000449779144 514349796 /nfs/dbraw/zinc/34/97/96/514349796.db2.gz XMIXWSREEMWQEU-PBHICJAKSA-N 1 0 360.414 2.737 20 5 FFBDRO C[C@@H]1C[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2Br)C[C@H]1C[NH3+] ZINC000424066769 514366043 /nfs/dbraw/zinc/36/60/43/514366043.db2.gz GDTLOPCNCYNXQT-OUAUKWLOSA-N 1 0 370.247 2.803 20 5 FFBDRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414947647 514368823 /nfs/dbraw/zinc/36/88/23/514368823.db2.gz KZFUFGCAXPYOEB-CABZTGNLSA-N 1 0 358.345 2.930 20 5 FFBDRO O=[N+]([O-])c1ccc(OCC[NH+]2CCC(CO)(c3ccccc3)CC2)cc1 ZINC000433067897 514370116 /nfs/dbraw/zinc/37/01/16/514370116.db2.gz MSHJKLPLHQNNBU-UHFFFAOYSA-N 1 0 356.422 3.000 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N[C@@H]3CCC[NH2+][C@@H]3C)cc2[N+](=O)[O-])C1 ZINC000424077906 514370962 /nfs/dbraw/zinc/37/09/62/514370962.db2.gz PSIGCEZRZWEUKY-IIAWOOMASA-N 1 0 360.458 2.701 20 5 FFBDRO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000414957253 514375518 /nfs/dbraw/zinc/37/55/18/514375518.db2.gz VZDHHYIWQNKVPE-NSHDSACASA-N 1 0 356.329 2.554 20 5 FFBDRO CC[C@H]1C[NH+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C[C@H](CC)O1 ZINC000420949220 514397641 /nfs/dbraw/zinc/39/76/41/514397641.db2.gz FEHMPKLDFJOXEH-GJZGRUSLSA-N 1 0 363.414 2.782 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[N@@H+](C3CC3)C[C@H](C)C2)c1 ZINC000452567245 514405197 /nfs/dbraw/zinc/40/51/97/514405197.db2.gz CARRXPMTNQPWPM-HNNXBMFYSA-N 1 0 361.442 2.615 20 5 FFBDRO C[C@H]1C[C@H](C)CN(c2ccc(C(=O)NCC3CC[NH2+]CC3)cc2[N+](=O)[O-])C1 ZINC000428152072 514409298 /nfs/dbraw/zinc/40/92/98/514409298.db2.gz GWOHVUYEIKPRRF-GJZGRUSLSA-N 1 0 374.485 2.807 20 5 FFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)C[C@H]1CCC[N@@H+]1C ZINC000420994430 514429294 /nfs/dbraw/zinc/42/92/94/514429294.db2.gz CDQFXFDDXJBCGC-DGCLKSJQSA-N 1 0 354.838 2.601 20 5 FFBDRO O=[N+]([O-])c1cc(CNC[C@@H]2C[NH2+]CCO2)ccc1Oc1ccc(F)cc1 ZINC000415095370 514440788 /nfs/dbraw/zinc/44/07/88/514440788.db2.gz MJQSLJCNJGPCSF-INIZCTEOSA-N 1 0 361.373 2.604 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000449973933 514448872 /nfs/dbraw/zinc/44/88/72/514448872.db2.gz SYSMDXLAEWFQEE-GOEBONIOSA-N 1 0 361.442 2.889 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)[C@H](C)C1 ZINC000449990730 514456125 /nfs/dbraw/zinc/45/61/25/514456125.db2.gz XCZKLNOJLSTKLW-ZBFHGGJFSA-N 1 0 371.441 2.583 20 5 FFBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000421112824 514489123 /nfs/dbraw/zinc/48/91/23/514489123.db2.gz RGPLJNIMFJXGPG-LBPRGKRZSA-N 1 0 371.235 2.915 20 5 FFBDRO CCc1noc(CC)c1CNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000450080324 514490000 /nfs/dbraw/zinc/49/00/00/514490000.db2.gz BTUXBPROYSMQOX-UHFFFAOYSA-N 1 0 369.381 2.823 20 5 FFBDRO COC(=O)Cc1ccc(NCC[N@@H+]2CCc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000450247962 514564145 /nfs/dbraw/zinc/56/41/45/514564145.db2.gz PHHRNJSLCYLEFG-UHFFFAOYSA-N 1 0 369.421 2.781 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000453293054 514591965 /nfs/dbraw/zinc/59/19/65/514591965.db2.gz WQFOKDZDGBDQGS-YQQAZPJKSA-N 1 0 353.422 2.807 20 5 FFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000453345778 514604815 /nfs/dbraw/zinc/60/48/15/514604815.db2.gz OQHPJXRDEVQXQE-OAGGEKHMSA-N 1 0 365.499 2.918 20 5 FFBDRO C[N@@H+]1CCC[C@H](CCNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000458181049 514607016 /nfs/dbraw/zinc/60/70/16/514607016.db2.gz ZHJWKUSCHQARBA-CYBMUJFWSA-N 1 0 369.849 2.865 20 5 FFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000458192865 514616330 /nfs/dbraw/zinc/61/63/30/514616330.db2.gz PGKUOJKALXYNMH-ZIAGYGMSSA-N 1 0 351.472 2.924 20 5 FFBDRO C[NH+](C)CCN(Cc1ccsc1)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000458201256 514623727 /nfs/dbraw/zinc/62/37/27/514623727.db2.gz LTAMAIYUCJGILH-UHFFFAOYSA-N 1 0 363.439 2.626 20 5 FFBDRO Cc1cc(NCc2ccc(OCC[NH+]3CCCC3)cc2)ncc1[N+](=O)[O-] ZINC000470862109 514648652 /nfs/dbraw/zinc/64/86/52/514648652.db2.gz DRNVGBHWNPXFJS-UHFFFAOYSA-N 1 0 356.426 2.807 20 5 FFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000470964749 514695985 /nfs/dbraw/zinc/69/59/85/514695985.db2.gz AZNMHIGYGXBUQM-OAHLLOKOSA-N 1 0 361.442 2.988 20 5 FFBDRO CN(C(=O)CNc1ccccc1[N+](=O)[O-])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475546130 514710749 /nfs/dbraw/zinc/71/07/49/514710749.db2.gz GDPIUYZEDHPUPJ-QGZVFWFLSA-N 1 0 368.437 2.740 20 5 FFBDRO COc1cc(C[N@@H+]2CC[C@](O)(C3CC3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000489188791 514744490 /nfs/dbraw/zinc/74/44/90/514744490.db2.gz ZRCCWQGXQBJYGL-MRXNPFEDSA-N 1 0 358.341 2.552 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCCCN1C(=O)NC2(CCCC2)C1=O ZINC000479878366 514755694 /nfs/dbraw/zinc/75/56/94/514755694.db2.gz BGJGFQHLNJXRSN-UHFFFAOYSA-N 1 0 374.441 2.638 20 5 FFBDRO CC[N@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)Cc1ccncc1 ZINC000502770742 514768591 /nfs/dbraw/zinc/76/85/91/514768591.db2.gz QKFKMWNFFIFXQY-UHFFFAOYSA-N 1 0 356.382 2.810 20 5 FFBDRO CC(C)[C@H]1CN(C(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000489315716 514793875 /nfs/dbraw/zinc/79/38/75/514793875.db2.gz REZQVKYPECBJOV-SWLSCSKDSA-N 1 0 369.849 2.814 20 5 FFBDRO CC[NH+](CC)[C@H](CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)CC(C)C ZINC000489324516 514799546 /nfs/dbraw/zinc/79/95/46/514799546.db2.gz ANGAMXGZSQELIT-AWEZNQCLSA-N 1 0 365.430 2.810 20 5 FFBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000467018946 514866043 /nfs/dbraw/zinc/86/60/43/514866043.db2.gz QXCAQBIOZZFGKK-XHDPSFHLSA-N 1 0 372.450 2.931 20 5 FFBDRO C[C@H]1CCCN(c2ccc(C(=O)NCCCC[NH+](C)C)cc2[N+](=O)[O-])C1 ZINC000498344486 514871571 /nfs/dbraw/zinc/87/15/71/514871571.db2.gz JSVORLSUSOOLIH-HNNXBMFYSA-N 1 0 362.474 2.903 20 5 FFBDRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000498362951 514881367 /nfs/dbraw/zinc/88/13/67/514881367.db2.gz HQTRDXIFFJZDIR-GOEBONIOSA-N 1 0 373.409 2.868 20 5 FFBDRO C[NH+](C)CCc1ccc(CNC(=O)CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000467071803 514887754 /nfs/dbraw/zinc/88/77/54/514887754.db2.gz XKHGNDPTDKYULH-UHFFFAOYSA-N 1 0 355.438 2.948 20 5 FFBDRO CC[NH+](CC)CCOC1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000467206454 514938350 /nfs/dbraw/zinc/93/83/50/514938350.db2.gz MCTSWOBSXWJIIS-UHFFFAOYSA-N 1 0 367.421 2.697 20 5 FFBDRO COc1ccc(C[NH2+]C[C@H](CO)Cc2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000480459956 514966904 /nfs/dbraw/zinc/96/69/04/514966904.db2.gz JDZPYWMCOAEIAV-CQSZACIVSA-N 1 0 366.364 2.822 20 5 FFBDRO C[C@H]1C[C@H]([NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC(C)(C)C1 ZINC000462372346 515018836 /nfs/dbraw/zinc/01/88/36/515018836.db2.gz XJCXOTPHCVNROC-KBPBESRZSA-N 1 0 369.487 2.678 20 5 FFBDRO O=C(C[NH2+][C@@H]1CCC[C@H]1OC(F)F)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000503408744 515023154 /nfs/dbraw/zinc/02/31/54/515023154.db2.gz UNWNAXOFVXQTAM-ZYHUDNBSSA-N 1 0 363.748 2.937 20 5 FFBDRO COc1ccc(-c2ccc(C[N@@H+]3CCC[C@H]4C(=O)NC[C@H]43)o2)c([N+](=O)[O-])c1 ZINC000467522304 515034919 /nfs/dbraw/zinc/03/49/19/515034919.db2.gz OUZZWGHLLWGZNY-NVXWUHKLSA-N 1 0 371.393 2.574 20 5 FFBDRO CNc1nc(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)ccc1[N+](=O)[O-] ZINC000456269446 515061084 /nfs/dbraw/zinc/06/10/84/515061084.db2.gz UMIMRZUGBGAOSD-HNNXBMFYSA-N 1 0 355.398 2.833 20 5 FFBDRO NC(=O)c1ccc(C[NH2+][C@H]2CCC[C@@H]2OCc2ccccc2)c([N+](=O)[O-])c1 ZINC000503523318 515065957 /nfs/dbraw/zinc/06/59/57/515065957.db2.gz PBHJWVXYQYHQGK-HKUYNNGSSA-N 1 0 369.421 2.921 20 5 FFBDRO Cc1c(CNC(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000490198269 515138031 /nfs/dbraw/zinc/13/80/31/515138031.db2.gz CJGVYZBCRXWGJA-CQSZACIVSA-N 1 0 360.458 2.919 20 5 FFBDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000472177213 515159966 /nfs/dbraw/zinc/15/99/66/515159966.db2.gz WOUXRDPJSLYJDD-HNNXBMFYSA-N 1 0 374.441 2.649 20 5 FFBDRO COc1c(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000476696891 515162791 /nfs/dbraw/zinc/16/27/91/515162791.db2.gz VVZAFWUDJXDZOG-PBHICJAKSA-N 1 0 369.421 2.854 20 5 FFBDRO COc1cc(C(=O)N(C)CC[NH+](C(C)C)C(C)C)cc([N+](=O)[O-])c1OC ZINC000504110851 515222206 /nfs/dbraw/zinc/22/22/06/515222206.db2.gz RSASCXNQASZVJH-UHFFFAOYSA-N 1 0 367.446 2.803 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2C[C@H](c3ccccc3)[C@H]3CCCC[C@H]32)c1 ZINC000485878585 515230941 /nfs/dbraw/zinc/23/09/41/515230941.db2.gz YBLSXIIAQALGEU-UAFMIMERSA-N 1 0 370.453 2.810 20 5 FFBDRO CNc1c(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000462776125 515237517 /nfs/dbraw/zinc/23/75/17/515237517.db2.gz DWOSZURTWAOTNI-CRAIPNDOSA-N 1 0 354.410 2.812 20 5 FFBDRO CCCc1n[nH]c(C(=O)NCC[N@H+]2CC=C(C(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000476923084 515250539 /nfs/dbraw/zinc/25/05/39/515250539.db2.gz NIVWWZQWIQCZAG-UHFFFAOYSA-N 1 0 363.462 2.678 20 5 FFBDRO CCC[C@H]([NH2+][C@@H]1CCOC[C@H]1OCCOC)c1cccc([N+](=O)[O-])c1 ZINC000486060553 515318627 /nfs/dbraw/zinc/31/86/27/515318627.db2.gz HOTKGQMMUBHNAP-RCCFBDPRSA-N 1 0 352.431 2.846 20 5 FFBDRO CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000481513037 515355674 /nfs/dbraw/zinc/35/56/74/515355674.db2.gz CXZNWUXSHLZQDI-PXAZEXFGSA-N 1 0 365.817 2.776 20 5 FFBDRO COc1cc(C[N@H+](C[C@@H](C)O)C(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000491089731 515376018 /nfs/dbraw/zinc/37/60/18/515376018.db2.gz NGVIPJXWPBHPOQ-LLVKDONJSA-N 1 0 362.373 2.839 20 5 FFBDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)CN(C)c2ccccc2[N+](=O)[O-])C1 ZINC000463141449 515378960 /nfs/dbraw/zinc/37/89/60/515378960.db2.gz KECKTUYEISUNPG-HNNXBMFYSA-N 1 0 362.474 2.658 20 5 FFBDRO Cc1csc(Sc2ccc(C(=O)N[C@H](C)CC[NH3+])cc2[N+](=O)[O-])n1 ZINC000477281320 515395765 /nfs/dbraw/zinc/39/57/65/515395765.db2.gz WRAIEBTUTHEFSL-SECBINFHSA-N 1 0 366.468 2.978 20 5 FFBDRO CC[NH+](CC)Cc1ccc(CNC(=O)c2ccc([N+](=O)[O-])c(NC)n2)cc1 ZINC000454366588 515435565 /nfs/dbraw/zinc/43/55/65/515435565.db2.gz VPLKUFSGOYQRTC-UHFFFAOYSA-N 1 0 371.441 2.803 20 5 FFBDRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])c(NC)n1 ZINC000454385084 515448732 /nfs/dbraw/zinc/44/87/32/515448732.db2.gz MQHPTFNNTYRRFD-UHFFFAOYSA-N 1 0 371.441 2.803 20 5 FFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC(=O)NCCc1ccccc1 ZINC000468654168 515455830 /nfs/dbraw/zinc/45/58/30/515455830.db2.gz UJRWRWABOJCQMG-VBKFSLOCSA-N 1 0 353.422 2.947 20 5 FFBDRO COc1cccc([C@@H]2[C@H](NC(=O)c3cc([N+](=O)[O-])c[nH]3)CC[N@@H+]2C2CC2)c1 ZINC000481941351 515521609 /nfs/dbraw/zinc/52/16/09/515521609.db2.gz HPVRDGKCELLSKB-SJLPKXTDSA-N 1 0 370.409 2.639 20 5 FFBDRO C[NH+]1CCN(Cc2ccc(C(=O)Nc3cc(F)cc([N+](=O)[O-])c3)cc2)CC1 ZINC000473339145 515582182 /nfs/dbraw/zinc/58/21/82/515582182.db2.gz HYAIIUKGMHIZBZ-UHFFFAOYSA-N 1 0 372.400 2.734 20 5 FFBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000500121234 515599734 /nfs/dbraw/zinc/59/97/34/515599734.db2.gz KVPOXMUTUFQLGJ-ZIAGYGMSSA-N 1 0 371.441 2.550 20 5 FFBDRO CC(C)(C[NH+]1CCCC1)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000457045574 515604598 /nfs/dbraw/zinc/60/45/98/515604598.db2.gz YTWBGQDSPIHRIR-UHFFFAOYSA-N 1 0 360.458 2.799 20 5 FFBDRO CC1(C)CCC[N@@H+]1CCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000457063485 515618438 /nfs/dbraw/zinc/61/84/38/515618438.db2.gz VTVVPLYKRFETCW-UHFFFAOYSA-N 1 0 370.247 2.962 20 5 FFBDRO CC[C@H]1C[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C[C@H]1N1CCOCC1 ZINC000493365549 515624982 /nfs/dbraw/zinc/62/49/82/515624982.db2.gz QUNSEXUJHGFBHA-SUMWQHHRSA-N 1 0 353.850 2.791 20 5 FFBDRO C[NH+](C)CCN(C(=O)c1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC000505668537 515629502 /nfs/dbraw/zinc/62/95/02/515629502.db2.gz IDKQJXFNUQPXKY-UHFFFAOYSA-N 1 0 356.220 2.524 20 5 FFBDRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000454644268 515636051 /nfs/dbraw/zinc/63/60/51/515636051.db2.gz OHVKKPSVJDNAMI-HZPDHXFCSA-N 1 0 358.442 2.721 20 5 FFBDRO COc1cc(C[NH2+]C[C@@H]2CCC[C@H](O)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000493600551 515645427 /nfs/dbraw/zinc/64/54/27/515645427.db2.gz CPUPONBGYZVQRX-YPMHNXCESA-N 1 0 374.384 2.888 20 5 FFBDRO CCOc1cc(N2CC[NH+](CC3CC(OCC)C3)CC2)ccc1[N+](=O)[O-] ZINC000510762131 515660258 /nfs/dbraw/zinc/66/02/58/515660258.db2.gz HZCLCKXPVFQPIP-UHFFFAOYSA-N 1 0 363.458 2.931 20 5 FFBDRO Cc1cc(C)c(S(=O)(=O)N(C)CC[NH+](C(C)C)C(C)C)cc1[N+](=O)[O-] ZINC000493916067 515686099 /nfs/dbraw/zinc/68/60/99/515686099.db2.gz GNTJXWZFFJNRMA-UHFFFAOYSA-N 1 0 371.503 2.951 20 5 FFBDRO CO[C@H](CC[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000469161583 515699407 /nfs/dbraw/zinc/69/94/07/515699407.db2.gz VOUJJOOJQXEAEF-ZWNOBZJWSA-N 1 0 363.336 2.869 20 5 FFBDRO COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)c2ccc([N+](=O)[O-])n2C)cc1 ZINC000500417756 515701011 /nfs/dbraw/zinc/70/10/11/515701011.db2.gz BLUDTWXKBCIGKQ-MRXNPFEDSA-N 1 0 372.425 2.509 20 5 FFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C ZINC000469204144 515720154 /nfs/dbraw/zinc/72/01/54/515720154.db2.gz YKOVDQZGHYSROZ-INIZCTEOSA-N 1 0 356.382 2.936 20 5 FFBDRO COc1ccc(OCC[N@H+](C)C[C@H]2COc3ccccc3O2)c([N+](=O)[O-])c1 ZINC000482626375 515742239 /nfs/dbraw/zinc/74/22/39/515742239.db2.gz AJQCHKDRIKBRIS-HNNXBMFYSA-N 1 0 374.393 2.754 20 5 FFBDRO C[N@H+](CCCCNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000454802167 515752258 /nfs/dbraw/zinc/75/22/58/515752258.db2.gz RZHGAFBGANOODG-UHFFFAOYSA-N 1 0 354.838 2.922 20 5 FFBDRO C[N@H+](CCC(=O)Nc1ccc2c(c1)OCO2)CCc1ccccc1[N+](=O)[O-] ZINC000511073304 515766285 /nfs/dbraw/zinc/76/62/85/515766285.db2.gz KKTGLCKWVILGGP-UHFFFAOYSA-N 1 0 371.393 2.827 20 5 FFBDRO CCOC[C@H]1CCCC[N@@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000459728269 515773620 /nfs/dbraw/zinc/77/36/20/515773620.db2.gz ZFHQRRATNKQRJX-OAHLLOKOSA-N 1 0 363.414 2.784 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000511119759 515789421 /nfs/dbraw/zinc/78/94/21/515789421.db2.gz JXVFQYWPFLBPNL-GOSISDBHSA-N 1 0 369.421 2.534 20 5 FFBDRO O=C(c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000457366079 515830647 /nfs/dbraw/zinc/83/06/47/515830647.db2.gz COURCVCBYBJJQJ-CHWSQXEVSA-N 1 0 365.408 2.502 20 5 FFBDRO C[NH+](C)CCc1ccc(CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)cc1 ZINC000469484822 515835185 /nfs/dbraw/zinc/83/51/85/515835185.db2.gz YPWSMPSFHKSSAO-UHFFFAOYSA-N 1 0 367.409 2.505 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+]CC2(OC)CCCCC2)cc1[N+](=O)[O-] ZINC000474008438 515840320 /nfs/dbraw/zinc/84/03/20/515840320.db2.gz SSPMTCGQFHJUEY-UHFFFAOYSA-N 1 0 366.414 2.586 20 5 FFBDRO Cc1c(Br)cc(C(=O)NCC2([NH+](C)C)CCC2)cc1[N+](=O)[O-] ZINC000474082316 515873336 /nfs/dbraw/zinc/87/33/36/515873336.db2.gz RLBUKLQFIZPMFW-UHFFFAOYSA-N 1 0 370.247 2.880 20 5 FFBDRO Cc1cc(OCC(=O)N(CC(C)C)C2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000464577347 515880692 /nfs/dbraw/zinc/88/06/92/515880692.db2.gz SQHRMRMMBFUKJI-UHFFFAOYSA-N 1 0 363.458 2.861 20 5 FFBDRO C[C@H]1CN(Cc2ccccc2)CCN1C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000506471347 515890660 /nfs/dbraw/zinc/89/06/60/515890660.db2.gz PLSGUXSXEVNJLW-AWEZNQCLSA-N 1 0 355.394 2.647 20 5 FFBDRO Cc1ccsc1[C@H](CO)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000494622741 515899550 /nfs/dbraw/zinc/89/95/50/515899550.db2.gz BPVYVIOWTCJFLC-HNNXBMFYSA-N 1 0 363.439 2.925 20 5 FFBDRO C[N@H+](CCN1CCN(c2ccccc2[N+](=O)[O-])CC1)Cc1ccccc1 ZINC000511428218 515900633 /nfs/dbraw/zinc/90/06/33/515900633.db2.gz WUTJVKBZAAAWRF-UHFFFAOYSA-N 1 0 354.454 2.849 20 5 FFBDRO Cc1ccc(C[N@H+](CCO)CCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000501010913 515936572 /nfs/dbraw/zinc/93/65/72/515936572.db2.gz NZYQDFJZRNOTDK-UHFFFAOYSA-N 1 0 357.410 2.726 20 5 FFBDRO COC(=O)COc1ccc(CNc2cccc(C[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000474349050 516005563 /nfs/dbraw/zinc/00/55/63/516005563.db2.gz GGSCRAGCXGDKEK-UHFFFAOYSA-N 1 0 373.409 2.820 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+]Cc2ccccc2N(C)C)cc1[N+](=O)[O-] ZINC000474351222 516006778 /nfs/dbraw/zinc/00/67/78/516006778.db2.gz BTRAKKSIEZQQMI-UHFFFAOYSA-N 1 0 373.409 2.502 20 5 FFBDRO CC1(C)C[N@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@]2(CCCOC2)O1 ZINC000483357929 516048893 /nfs/dbraw/zinc/04/88/93/516048893.db2.gz QOFSOYZXHQKIRY-SFHVURJKSA-N 1 0 350.415 2.634 20 5 FFBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000488075355 516106928 /nfs/dbraw/zinc/10/69/28/516106928.db2.gz OKSGYIPEDQKAIL-GJZGRUSLSA-N 1 0 366.849 2.717 20 5 FFBDRO C[NH+](C)CC1(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CCCCC1 ZINC000460298363 516106991 /nfs/dbraw/zinc/10/69/91/516106991.db2.gz HDUCDZVRRZJRRS-UHFFFAOYSA-N 1 0 374.485 2.756 20 5 FFBDRO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000470131168 516133789 /nfs/dbraw/zinc/13/37/89/516133789.db2.gz FSCHRMJYMOIHEC-QBIMZIAESA-N 1 0 355.394 2.941 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCSC[C@H]3CCO)o2)c1 ZINC000470205168 516172277 /nfs/dbraw/zinc/17/22/77/516172277.db2.gz COFJJLHGFFWQCG-OAHLLOKOSA-N 1 0 363.439 2.592 20 5 FFBDRO C[NH+](C)CC(C)(C)NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000455395202 516174041 /nfs/dbraw/zinc/17/40/41/516174041.db2.gz ALZZAGDDOVZQRJ-UHFFFAOYSA-N 1 0 359.224 2.819 20 5 FFBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000465735798 516242813 /nfs/dbraw/zinc/24/28/13/516242813.db2.gz BLSFRBFHUHRNJU-OAGGEKHMSA-N 1 0 362.474 2.803 20 5 FFBDRO COc1ccc(CC(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000547437926 516336301 /nfs/dbraw/zinc/33/63/01/516336301.db2.gz DQVLNGVJVMXQQO-JLTOFOAXSA-N 1 0 371.437 2.954 20 5 FFBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000557740811 516413247 /nfs/dbraw/zinc/41/32/47/516413247.db2.gz CQXBUPCUTFMUBH-INIZCTEOSA-N 1 0 371.441 2.600 20 5 FFBDRO Cc1cc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)ccc1-c1ccccc1 ZINC000517733991 516430412 /nfs/dbraw/zinc/43/04/12/516430412.db2.gz NZVKHDAZAZPQLB-IBGZPJMESA-N 1 0 366.421 2.917 20 5 FFBDRO CS[C@@H]1CN(c2ncnc3cccc([N+](=O)[O-])c32)C[C@H]1[NH+]1CCCC1 ZINC000547708188 516511747 /nfs/dbraw/zinc/51/17/47/516511747.db2.gz UEEWSCWWWBWAJX-HUUCEWRRSA-N 1 0 359.455 2.554 20 5 FFBDRO COC1CC[NH+](C(C)(C)CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000518081070 516544224 /nfs/dbraw/zinc/54/42/24/516544224.db2.gz OIKYKLTYSFIKIS-UHFFFAOYSA-N 1 0 374.441 2.695 20 5 FFBDRO COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000540574894 516625676 /nfs/dbraw/zinc/62/56/76/516625676.db2.gz LIPMJYHHWLRJOF-KBXCAEBGSA-N 1 0 366.414 2.694 20 5 FFBDRO C[NH+](C)[C@@H](CNC(=O)NCCc1cccc([N+](=O)[O-])c1)c1ccsc1 ZINC000536100390 516629482 /nfs/dbraw/zinc/62/94/82/516629482.db2.gz XTFJOORYOURFPH-INIZCTEOSA-N 1 0 362.455 2.801 20 5 FFBDRO O=C1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CN1[C@H]1C[C@H]1c1ccccc1 ZINC000540617966 516643934 /nfs/dbraw/zinc/64/39/34/516643934.db2.gz FCUBNQUQKQYCLA-LNLFQRSKSA-N 1 0 351.406 2.841 20 5 FFBDRO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000513518357 516659847 /nfs/dbraw/zinc/65/98/47/516659847.db2.gz DLEIFQBENVFTLL-LJQANCHMSA-N 1 0 354.410 2.661 20 5 FFBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCCCC[NH+]1CCCCC1 ZINC000518445996 516665107 /nfs/dbraw/zinc/66/51/07/516665107.db2.gz BVDQMIKAQNVSQP-UHFFFAOYSA-N 1 0 369.487 2.838 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000544298835 516687222 /nfs/dbraw/zinc/68/72/22/516687222.db2.gz GSDGHAAOEQYZJH-KGLIPLIRSA-N 1 0 364.446 2.666 20 5 FFBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1 ZINC000561762602 516756650 /nfs/dbraw/zinc/75/66/50/516756650.db2.gz PBHBWZFGSKDJHQ-GRDNDAEWSA-N 1 0 363.483 2.876 20 5 FFBDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000518788642 516776604 /nfs/dbraw/zinc/77/66/04/516776604.db2.gz YHHHSZYSCATGAZ-CYBMUJFWSA-N 1 0 363.414 2.565 20 5 FFBDRO CC(C)OCC[NH+]1CCC(NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC000536505688 516793576 /nfs/dbraw/zinc/79/35/76/516793576.db2.gz KNGLHMUQNBVMDX-UHFFFAOYSA-N 1 0 374.441 2.695 20 5 FFBDRO Cn1ccnc1[C@H](NCC[NH+]1CCCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000514090716 516857976 /nfs/dbraw/zinc/85/79/76/516857976.db2.gz WIMWUNNBEHMZQT-GOSISDBHSA-N 1 0 357.458 2.883 20 5 FFBDRO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000555415191 516917165 /nfs/dbraw/zinc/91/71/65/516917165.db2.gz JEUGQODXSNZHJS-DXEWXGHRSA-N 1 0 359.426 2.859 20 5 FFBDRO O=C1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CN1[C@H]1C[C@H]1c1ccccc1 ZINC000525195352 516957110 /nfs/dbraw/zinc/95/71/10/516957110.db2.gz IQNOHZRLWLRMRW-WDSOQIARSA-N 1 0 351.406 2.841 20 5 FFBDRO C[N@@H+]1CCCC[C@@H]1CCC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000562214791 516961486 /nfs/dbraw/zinc/96/14/86/516961486.db2.gz VEPWXUKCGRWVNA-OAHLLOKOSA-N 1 0 358.442 2.999 20 5 FFBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](CCOC[C@@H]3CCCO3)CC2)cc1 ZINC000525282933 516991961 /nfs/dbraw/zinc/99/19/61/516991961.db2.gz MXVVGJVYSXVHSF-SFHVURJKSA-N 1 0 350.415 2.634 20 5 FFBDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000562272871 516999127 /nfs/dbraw/zinc/99/91/27/516999127.db2.gz JGYWQCVJRCKRHM-SFHVURJKSA-N 1 0 373.457 2.600 20 5 FFBDRO COc1ccc(-c2nc(Cc3cn4ccccc4n3)no2)cc1[N+](=O)[O-] ZINC000545011419 517019779 /nfs/dbraw/zinc/01/97/79/517019779.db2.gz SJHGIZQPBDLDKS-UHFFFAOYSA-N 1 0 351.322 2.892 20 5 FFBDRO C[N@H+](Cc1ccccc1)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)C1CC1 ZINC000548501866 517020585 /nfs/dbraw/zinc/02/05/85/517020585.db2.gz LGPSSVOXRRNATK-GOSISDBHSA-N 1 0 354.410 2.630 20 5 FFBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000532699190 517102766 /nfs/dbraw/zinc/10/27/66/517102766.db2.gz GJQIJYJODBVSAT-XHSDSOJGSA-N 1 0 360.458 2.871 20 5 FFBDRO COc1ccc(NC(=O)CC[NH+]2C[C@H](C)S[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000532969377 517228075 /nfs/dbraw/zinc/22/80/75/517228075.db2.gz COTPVVUQFQRFCR-RYUDHWBXSA-N 1 0 353.444 2.758 20 5 FFBDRO Cn1c2ccc(C[NH2+]CCOc3ccc([N+](=O)[O-])cc3)cc2sc1=O ZINC000525985628 517274931 /nfs/dbraw/zinc/27/49/31/517274931.db2.gz PTWJDKKVALNGRP-UHFFFAOYSA-N 1 0 359.407 2.677 20 5 FFBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000515262154 517276941 /nfs/dbraw/zinc/27/69/41/517276941.db2.gz JLMGXLWGBMBBIT-OAHLLOKOSA-N 1 0 350.463 2.899 20 5 FFBDRO COc1ccc(C[NH2+]CCN2CCC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000533104778 517298572 /nfs/dbraw/zinc/29/85/72/517298572.db2.gz QPYGXVDYWKRTOF-UHFFFAOYSA-N 1 0 371.437 2.978 20 5 FFBDRO C[N@H+](CCC(=O)NC(=O)Nc1ccccc1)CCc1cccc([N+](=O)[O-])c1 ZINC000548933616 517311233 /nfs/dbraw/zinc/31/12/33/517311233.db2.gz HZKIWELOOXQKFE-UHFFFAOYSA-N 1 0 370.409 2.808 20 5 FFBDRO C[NH+](C)[C@@]1(CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CCSC1 ZINC000545856431 517395612 /nfs/dbraw/zinc/39/56/12/517395612.db2.gz LRGWMEXXTRZHMD-QGZVFWFLSA-N 1 0 369.462 2.565 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)cc1C ZINC000552883159 517427155 /nfs/dbraw/zinc/42/71/55/517427155.db2.gz RBMOIROKOFJXGV-HUUCEWRRSA-N 1 0 369.487 2.753 20 5 FFBDRO Cc1cc(C(=O)NCCc2ccc(OCC[NH+](C)C)cc2)cc([N+](=O)[O-])c1 ZINC000520547572 517430894 /nfs/dbraw/zinc/43/08/94/517430894.db2.gz RYTAPGBBXLVNID-UHFFFAOYSA-N 1 0 371.437 2.816 20 5 FFBDRO CO[C@H](C)C[N@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)C(C)C ZINC000533429079 517457951 /nfs/dbraw/zinc/45/79/51/517457951.db2.gz CAIOCYDPRXUQFW-CYBMUJFWSA-N 1 0 351.403 2.638 20 5 FFBDRO CC(C)(C)[C@@H]1CCC[N@@H+]([C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000527284010 517614479 /nfs/dbraw/zinc/61/44/79/517614479.db2.gz VFHQADJVHYJKGF-CJNGLKHVSA-N 1 0 359.426 2.985 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H](C)[C@H]1COc2ccccc21 ZINC000542626207 517657985 /nfs/dbraw/zinc/65/79/85/517657985.db2.gz LDCGCEGGHAMQJW-UKRRQHHQSA-N 1 0 355.394 2.996 20 5 FFBDRO C[C@@H]1CCC[C@](CNC(=O)NCCc2cccc([N+](=O)[O-])c2)([NH+](C)C)C1 ZINC000533914612 517667551 /nfs/dbraw/zinc/66/75/51/517667551.db2.gz AKSJJWCUDNOUGG-BEFAXECRSA-N 1 0 362.474 2.947 20 5 FFBDRO CS[C@H]1CN(c2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H]1[NH+](C)C ZINC000533928434 517672699 /nfs/dbraw/zinc/67/26/99/517672699.db2.gz QQUMIOFKPNGYRY-HOTGVXAUSA-N 1 0 373.482 2.842 20 5 FFBDRO Cc1ccc(C[C@@H](CO)[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])cc1C ZINC000563139236 517687519 /nfs/dbraw/zinc/68/75/19/517687519.db2.gz XAJCWJGPEITRAT-KRWDZBQOSA-N 1 0 371.437 2.733 20 5 FFBDRO C[NH+]1CCC(CCO)(NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000516490646 517707966 /nfs/dbraw/zinc/70/79/66/517707966.db2.gz LPIFYVBOLYGFGY-UHFFFAOYSA-N 1 0 359.426 2.791 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2CC=C(c3ccc(F)cc3)CC2)c1 ZINC000521428242 517726534 /nfs/dbraw/zinc/72/65/34/517726534.db2.gz CFJXRLIOJMZWHK-FUHWJXTLSA-N 1 0 360.389 2.517 20 5 FFBDRO CN(c1ccccc1)c1ccc(CNC[C@]2(O)CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000546563320 517726717 /nfs/dbraw/zinc/72/67/17/517726717.db2.gz JQUCDZQFCWBJIV-HXUWFJFHSA-N 1 0 370.453 2.519 20 5 FFBDRO [NH3+]C[C@H]1CN(C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])CCO1 ZINC000516569040 517749549 /nfs/dbraw/zinc/74/95/49/517749549.db2.gz OBYUKBUTUMXTIY-ZDUSSCGKSA-N 1 0 373.434 2.546 20 5 FFBDRO CCN(CC[NH+]1CCCCCC1)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000553549552 517775891 /nfs/dbraw/zinc/77/58/91/517775891.db2.gz FWKZBLIXALBELM-UHFFFAOYSA-N 1 0 373.450 2.621 20 5 FFBDRO O=C1[C@H]([NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)CCN1c1cccc([N+](=O)[O-])c1 ZINC000549920083 517782497 /nfs/dbraw/zinc/78/24/97/517782497.db2.gz PHFCICVHZVRKJG-BRSBDYLESA-N 1 0 371.437 2.637 20 5 FFBDRO COCCOC1(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)CCOCC1 ZINC000516719381 517819981 /nfs/dbraw/zinc/81/99/81/517819981.db2.gz UZWOWCNLRYEVQL-OAHLLOKOSA-N 1 0 352.431 2.766 20 5 FFBDRO Cn1c(C(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000530590793 517868618 /nfs/dbraw/zinc/86/86/18/517868618.db2.gz UOKXCLOLGGXQBZ-CQSZACIVSA-N 1 0 350.806 2.619 20 5 FFBDRO Cc1cc(N[C@H]2CCC[C@@H](C(=O)N(C)C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000543048675 517881687 /nfs/dbraw/zinc/88/16/87/517881687.db2.gz BEEAJHNEAWGVGU-KGLIPLIRSA-N 1 0 356.426 2.932 20 5 FFBDRO CCNC(=O)N1CC[C@H]([NH2+][C@@H](CC)CSc2ccccc2[N+](=O)[O-])C1 ZINC000539061340 517898846 /nfs/dbraw/zinc/89/88/46/517898846.db2.gz UJYYCEHRBRSTFX-KBPBESRZSA-N 1 0 366.487 2.859 20 5 FFBDRO C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])cn2C)CC[N@@H+]1Cc1ccccc1 ZINC000530709897 517932697 /nfs/dbraw/zinc/93/26/97/517932697.db2.gz KJSDWHRIPIZBGT-HOCLYGCPSA-N 1 0 356.426 2.716 20 5 FFBDRO CC[NH+](CC)C[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000530712744 517936198 /nfs/dbraw/zinc/93/61/98/517936198.db2.gz LZURAQBBVDCBSL-HUUCEWRRSA-N 1 0 369.487 2.774 20 5 FFBDRO C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccccn1)c1ccccc1[N+](=O)[O-] ZINC000539297227 517982922 /nfs/dbraw/zinc/98/29/22/517982922.db2.gz IBOBDBMMDNXKSC-HNNXBMFYSA-N 1 0 371.441 2.824 20 5 FFBDRO COc1ccc(C[NH2+]C[C@@H](O)COc2ccccc2Cl)cc1[N+](=O)[O-] ZINC000550366210 518014643 /nfs/dbraw/zinc/01/46/43/518014643.db2.gz YZNLPIHGRRLMBA-CYBMUJFWSA-N 1 0 366.801 2.786 20 5 FFBDRO C[C@@H]1C[C@H]1N1C[C@@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1=O ZINC000539515089 518085079 /nfs/dbraw/zinc/08/50/79/518085079.db2.gz GHHIVNKGBZVCBW-HACGYAERSA-N 1 0 355.394 2.954 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@@H](CC(C)C)[NH+](C)C)c1 ZINC000539526745 518089685 /nfs/dbraw/zinc/08/96/85/518089685.db2.gz YQRKCZRMEHJRJU-OAHLLOKOSA-N 1 0 351.447 2.765 20 5 FFBDRO C[C@H](CNc1ncnc2cccc([N+](=O)[O-])c21)[N@@H+]1CCc2sccc2C1 ZINC000543438726 518091065 /nfs/dbraw/zinc/09/10/65/518091065.db2.gz TYAGFZHROMEVNX-GFCCVEGCSA-N 1 0 369.450 2.880 20 5 FFBDRO CS[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC(C)C)C[C@H]1[NH+](C)C ZINC000534951807 518094987 /nfs/dbraw/zinc/09/49/87/518094987.db2.gz MPTAHRLKGTYITP-WBVHZDCISA-N 1 0 353.488 2.859 20 5 FFBDRO Cc1ccc([C@H](CNc2ncnc3cccc([N+](=O)[O-])c32)[NH+](C)C)cc1 ZINC000543450889 518098088 /nfs/dbraw/zinc/09/80/88/518098088.db2.gz DVCVHEUTJVETEB-KRWDZBQOSA-N 1 0 351.410 2.983 20 5 FFBDRO COc1cccc([C@@H]2[C@@H](Nc3c([N+](=O)[O-])ncn3C)CC[N@@H+]2C2CC2)c1 ZINC000539773768 518158669 /nfs/dbraw/zinc/15/86/69/518158669.db2.gz FQQHDPKXLWZVBG-JKSUJKDBSA-N 1 0 357.414 2.727 20 5 FFBDRO CS(=O)(=O)c1ccc(C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1 ZINC000572639353 518290825 /nfs/dbraw/zinc/29/08/25/518290825.db2.gz CNSOFYNCJBIAGG-UHFFFAOYSA-N 1 0 373.434 2.812 20 5 FFBDRO COc1c(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)oc2ccccc21 ZINC000584346566 518294539 /nfs/dbraw/zinc/29/45/39/518294539.db2.gz QECDEGYORMDBBL-AWEZNQCLSA-N 1 0 372.377 2.879 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000564132034 518317762 /nfs/dbraw/zinc/31/77/62/518317762.db2.gz ZMKUHRGIMXWUFE-OXJNMPFZSA-N 1 0 368.437 2.877 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000581675607 518403989 /nfs/dbraw/zinc/40/39/89/518403989.db2.gz YIGRGYFPKVHJPV-INIZCTEOSA-N 1 0 369.421 2.742 20 5 FFBDRO Cn1ccnc1[C@H]([NH2+]C[C@H]1CCC[C@@H](CO)C1)c1ccc([N+](=O)[O-])cc1 ZINC000572947386 518432316 /nfs/dbraw/zinc/43/23/16/518432316.db2.gz APPVURTUHZGGOQ-HDMKZQKVSA-N 1 0 358.442 2.806 20 5 FFBDRO CC1=C[C@@H](C)C[C@@H](C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000564579909 518511971 /nfs/dbraw/zinc/51/19/71/518511971.db2.gz WOKVOKJKHWFERN-UKRRQHHQSA-N 1 0 352.456 2.951 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000570323534 518550805 /nfs/dbraw/zinc/55/08/05/518550805.db2.gz VSQHHMBNWBTKKS-CVEARBPZSA-N 1 0 364.442 2.806 20 5 FFBDRO O=C([C@@H]1C[NH2+]Cc2ccccc21)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000579350305 518639606 /nfs/dbraw/zinc/63/96/06/518639606.db2.gz GUNGJVOTDOWDGI-LJQANCHMSA-N 1 0 351.406 2.973 20 5 FFBDRO CCC[N@@H+]1CC[C@@H](CNC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000567784736 518708784 /nfs/dbraw/zinc/70/87/84/518708784.db2.gz UKKUHKSPXNMLFO-AWEZNQCLSA-N 1 0 373.457 2.650 20 5 FFBDRO O=C(CN1CC[NH2+]CC12CCCCC2)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000564985936 518729585 /nfs/dbraw/zinc/72/95/85/518729585.db2.gz VVEMRZOOOGSWQA-UHFFFAOYSA-N 1 0 366.849 2.795 20 5 FFBDRO [NH3+]C[C@@H]1c2ccccc2CCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000567895208 518772211 /nfs/dbraw/zinc/77/22/11/518772211.db2.gz ALIPCQKJRMUMBB-QGZVFWFLSA-N 1 0 365.393 2.703 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@@H]1CCC2(CCCCC2)O1 ZINC000570837551 518804881 /nfs/dbraw/zinc/80/48/81/518804881.db2.gz YUDXUMUVQOEWJL-CVEARBPZSA-N 1 0 364.442 2.806 20 5 FFBDRO CCn1nccc1N1CCC[C@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1=O ZINC000582616340 518840857 /nfs/dbraw/zinc/84/08/57/518840857.db2.gz MOGYQWHVARZNRU-HOTGVXAUSA-N 1 0 369.425 2.584 20 5 FFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCn1cc(Br)cn1 ZINC000579852587 518888479 /nfs/dbraw/zinc/88/84/79/518888479.db2.gz QLQMAUKQLXPIRF-CYBMUJFWSA-N 1 0 351.204 2.831 20 5 FFBDRO CN1CC[NH+](CCCC[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000577044364 518889291 /nfs/dbraw/zinc/88/92/91/518889291.db2.gz FTFPVKBCXBLWIS-LJQANCHMSA-N 1 0 360.502 2.934 20 5 FFBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2[C@@H](C)C[NH+](CC)C[C@@H]2C)cc1OC ZINC000588997452 518891699 /nfs/dbraw/zinc/89/16/99/518891699.db2.gz YGVCVOQKATTYGA-STQMWFEESA-N 1 0 365.430 2.557 20 5 FFBDRO C[C@@H](C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(C(F)(F)F)cc1 ZINC000582780664 518919763 /nfs/dbraw/zinc/91/97/63/518919763.db2.gz ASKMBUOWJZTKLC-XHDPSFHLSA-N 1 0 372.347 2.564 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCC=C(c3cccnc3)C2)c1 ZINC000589163606 518935295 /nfs/dbraw/zinc/93/52/95/518935295.db2.gz YXVOYFXRJRMEFZ-SFHVURJKSA-N 1 0 355.394 2.519 20 5 FFBDRO C[C@@H](O)C[C@@H]1CCCCC[N@@H+]1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000589187592 518944343 /nfs/dbraw/zinc/94/43/43/518944343.db2.gz BCCPRWHRCSTQOU-HIFRSBDPSA-N 1 0 350.415 2.882 20 5 FFBDRO C[NH2+]CCCN(C)C(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000582904304 518979205 /nfs/dbraw/zinc/97/92/05/518979205.db2.gz LJCLCWJARYLXLT-CQSZACIVSA-N 1 0 371.441 2.844 20 5 FFBDRO NC(=O)Cc1ccc(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000589344898 518985354 /nfs/dbraw/zinc/98/53/54/518985354.db2.gz YYXMZGHKIVFHJY-GOSISDBHSA-N 1 0 353.422 2.734 20 5 FFBDRO C[C@@H](C(=O)NCCc1cccs1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000574139340 519006606 /nfs/dbraw/zinc/00/66/06/519006606.db2.gz DIUXRWQBQUSLPP-AWEZNQCLSA-N 1 0 361.467 2.878 20 5 FFBDRO CCc1ccc([C@@H](CNC(=O)Cn2cc([N+](=O)[O-])cn2)[NH+](CC)CC)cc1 ZINC000580109964 519012115 /nfs/dbraw/zinc/01/21/15/519012115.db2.gz CSBKCMNFSMVQOE-GOSISDBHSA-N 1 0 373.457 2.553 20 5 FFBDRO [NH3+]CC[C@@H]1CCCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000565593606 519034598 /nfs/dbraw/zinc/03/45/98/519034598.db2.gz PMUAUMVYHJYSPN-LBPRGKRZSA-N 1 0 370.247 2.630 20 5 FFBDRO C[C@H]1CC[N@H+](CCNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000568460505 519046781 /nfs/dbraw/zinc/04/67/81/519046781.db2.gz YQIKYJFLWSAMPF-LBPRGKRZSA-N 1 0 360.439 2.790 20 5 FFBDRO O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000589634571 519048860 /nfs/dbraw/zinc/04/88/60/519048860.db2.gz HBZHWONMHYAJBG-HUUCEWRRSA-N 1 0 371.441 2.545 20 5 FFBDRO CCc1ccc(S(=O)(=O)N(C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000577389887 519057150 /nfs/dbraw/zinc/05/71/50/519057150.db2.gz BXWSELGHVYGDNJ-BBRMVZONSA-N 1 0 369.487 2.508 20 5 FFBDRO C[N@@H+]1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1Cc1ccccc1 ZINC000583100591 519076620 /nfs/dbraw/zinc/07/66/20/519076620.db2.gz RMAAOHKZVCRUJN-INIZCTEOSA-N 1 0 351.410 2.834 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H]2CCSc3ccc(Cl)cc32)c1 ZINC000580277020 519092502 /nfs/dbraw/zinc/09/25/02/519092502.db2.gz NIPNCDPJKPLNGE-GXTWGEPZSA-N 1 0 368.846 2.632 20 5 FFBDRO CC(=O)N1CC([NH2+]Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000565725813 519101639 /nfs/dbraw/zinc/10/16/39/519101639.db2.gz LDUDKEPPZFHEMI-UHFFFAOYSA-N 1 0 354.410 2.683 20 5 FFBDRO COc1cc(C[NH2+][C@H]2CC[C@@](O)(C(F)(F)F)C2)c([N+](=O)[O-])cc1OC ZINC000589938997 519109336 /nfs/dbraw/zinc/10/93/36/519109336.db2.gz LSHZEVYOQMWUPW-HZMBPMFUSA-N 1 0 364.320 2.548 20 5 FFBDRO Cc1c(NC(=O)NCC2CC[NH2+]CC2)cc(Br)cc1[N+](=O)[O-] ZINC000583192026 519121684 /nfs/dbraw/zinc/12/16/84/519121684.db2.gz PMYSNHQLGARAFM-UHFFFAOYSA-N 1 0 371.235 2.787 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000589997204 519123521 /nfs/dbraw/zinc/12/35/21/519123521.db2.gz ZRPGRSVMHTVMLT-QGZVFWFLSA-N 1 0 355.394 2.722 20 5 FFBDRO C[C@@H](c1ccccc1)[C@H]([NH2+]CCCOc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000590000484 519125675 /nfs/dbraw/zinc/12/56/75/519125675.db2.gz GLRAVSGOJCOAEO-KSSFIOAISA-N 1 0 357.410 2.611 20 5 FFBDRO COc1ccc(-c2ccc(CN3CC[C@@H]4C[N@H+](C)C[C@@H]43)o2)c([N+](=O)[O-])c1 ZINC000590052741 519137352 /nfs/dbraw/zinc/13/73/52/519137352.db2.gz KENXLDSQUBEHBK-ACJLOTCBSA-N 1 0 357.410 2.999 20 5 FFBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000590158195 519164432 /nfs/dbraw/zinc/16/44/32/519164432.db2.gz FTMVXKVELBDBID-QWRGUYRKSA-N 1 0 357.332 2.970 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CCOc1cccc(Cl)c1 ZINC000580543579 519230058 /nfs/dbraw/zinc/23/00/58/519230058.db2.gz JJHHEBZMHICWDE-CQSZACIVSA-N 1 0 366.801 2.657 20 5 FFBDRO C[N@@H+]1C[C@@H]2CCN(C(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000590446469 519235827 /nfs/dbraw/zinc/23/58/27/519235827.db2.gz VOBVPFYNTLEUHX-GXFFZTMASA-N 1 0 355.847 2.503 20 5 FFBDRO CC[N@H+](C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])c(C(=O)OC)c2Cl)C1 ZINC000590578800 519273627 /nfs/dbraw/zinc/27/36/27/519273627.db2.gz RPUGSCIIDVFILR-NSHDSACASA-N 1 0 355.822 2.813 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@@H]2COc3ccc(Cl)cc32)c1 ZINC000577842256 519283473 /nfs/dbraw/zinc/28/34/73/519283473.db2.gz OXXFZVBJHQEZRV-XJKSGUPXSA-N 1 0 364.785 2.711 20 5 FFBDRO CC(C)[C@@H]1C[C@H](C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCO1 ZINC000590658519 519306256 /nfs/dbraw/zinc/30/62/56/519306256.db2.gz PBKRWXHJTUKXEY-CJNGLKHVSA-N 1 0 350.415 2.907 20 5 FFBDRO O=[N+]([O-])c1cccc2c1ccnc2N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000590685688 519316552 /nfs/dbraw/zinc/31/65/52/519316552.db2.gz SHDKAVBCHAQYFO-OAHLLOKOSA-N 1 0 356.426 2.834 20 5 FFBDRO O=C([C@H]1C[NH2+]Cc2ccccc21)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000571915760 519345519 /nfs/dbraw/zinc/34/55/19/519345519.db2.gz YRQNHNRTMDUZMX-SFHVURJKSA-N 1 0 351.406 2.973 20 5 FFBDRO O=C(CC[NH2+][C@H]1CCN(c2ccccc2F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000569333183 519496709 /nfs/dbraw/zinc/49/67/09/519496709.db2.gz VWWQEXILOPZEQX-AWEZNQCLSA-N 1 0 372.400 2.931 20 5 FFBDRO O=[N+]([O-])c1cnc(N2CCN(c3cc[nH+]cc3)CC2)c(C(F)(F)F)c1 ZINC000591136891 519525455 /nfs/dbraw/zinc/52/54/55/519525455.db2.gz FUIVDVRPDHDKDW-UHFFFAOYSA-N 1 0 353.304 2.730 20 5 FFBDRO O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000578349614 519548919 /nfs/dbraw/zinc/54/89/19/519548919.db2.gz IFPUMKQFBASMNM-SFHVURJKSA-N 1 0 372.450 2.934 20 5 FFBDRO CO[C@@H](C)C[N@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000581161084 519551633 /nfs/dbraw/zinc/55/16/33/519551633.db2.gz ZDYWDAMBGCASAV-VIFPVBQESA-N 1 0 364.183 2.666 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](O)COc1ccc(Cl)cc1 ZINC000569450141 519555233 /nfs/dbraw/zinc/55/52/33/519555233.db2.gz UXXXIIWYASKEDM-OAHLLOKOSA-N 1 0 366.801 2.786 20 5 FFBDRO CCCOc1cc(NC(=O)NC[C@H](C)[NH3+])c([N+](=O)[O-])cc1OCCC ZINC000591273454 519568591 /nfs/dbraw/zinc/56/85/91/519568591.db2.gz LIIMMHXAMSOEHI-NSHDSACASA-N 1 0 354.407 2.641 20 5 FFBDRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000566614946 519579622 /nfs/dbraw/zinc/57/96/22/519579622.db2.gz AQMKABJNJHMFHH-CABZTGNLSA-N 1 0 356.220 2.699 20 5 FFBDRO O=C1[C@H](N2CC3(CCC3)[C@H]2[C@H]2CCCO2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000572411958 519599700 /nfs/dbraw/zinc/59/97/00/519599700.db2.gz MLBCRDWZXNJEHT-KZNAEPCWSA-N 1 0 371.437 2.734 20 5 FFBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000591347035 519603074 /nfs/dbraw/zinc/60/30/74/519603074.db2.gz CLVMDFIPQXBUII-DLBZAZTESA-N 1 0 360.458 2.559 20 5 FFBDRO O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000591362341 519608356 /nfs/dbraw/zinc/60/83/56/519608356.db2.gz ALZLDEUARTUMBR-BRSBDYLESA-N 1 0 372.469 2.872 20 5 FFBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000569595482 519623907 /nfs/dbraw/zinc/62/39/07/519623907.db2.gz XUNHHCHPBOBTFZ-OHUAYANFSA-N 1 0 355.822 2.520 20 5 FFBDRO Cc1c(NC(=O)CC[N@H+]2CCN(C)[C@H](C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000602873235 519939767 /nfs/dbraw/zinc/93/97/67/519939767.db2.gz ICMRPOQAXLFAQC-KRWDZBQOSA-N 1 0 362.474 2.894 20 5 FFBDRO [NH3+]CCCN(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)c1cccc(F)c1 ZINC000612403941 519943634 /nfs/dbraw/zinc/94/36/34/519943634.db2.gz ABIVLNMWYOQADO-UHFFFAOYSA-N 1 0 361.373 2.861 20 5 FFBDRO C[NH+]1CCC2(CCN(CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])C2)CC1 ZINC000602877013 519943852 /nfs/dbraw/zinc/94/38/52/519943852.db2.gz JZZGXNXRTGPLMP-UHFFFAOYSA-N 1 0 366.849 2.604 20 5 FFBDRO Cn1ccnc1[C@H](N[C@H]1CC[NH2+]C2(CCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000591582258 519958277 /nfs/dbraw/zinc/95/82/77/519958277.db2.gz BXHWZJMIMWXRDK-DOTOQJQBSA-N 1 0 355.442 2.682 20 5 FFBDRO O=C1[C@@H]([NH2+][C@@H]2CCO[C@H]2c2ccccc2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000602917196 519970681 /nfs/dbraw/zinc/97/06/81/519970681.db2.gz AFICJWPEANQYIU-QYZOEREBSA-N 1 0 367.405 2.820 20 5 FFBDRO C[C@H]1CCCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])[C@@H]1C[NH3+] ZINC000591676393 519994281 /nfs/dbraw/zinc/99/42/81/519994281.db2.gz PGIGJKWUXYGWHX-TVQRCGJNSA-N 1 0 356.220 2.557 20 5 FFBDRO C[C@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)N1C[C@@H](C)O[C@@H](C)C1 ZINC000594516026 520011575 /nfs/dbraw/zinc/01/15/75/520011575.db2.gz VXXJUSKFSPVCBG-UPJWGTAASA-N 1 0 373.400 2.784 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](O)COc1cc(C)ccc1C ZINC000591727546 520013507 /nfs/dbraw/zinc/01/35/07/520013507.db2.gz IJOZQYDDXVQJEX-KRWDZBQOSA-N 1 0 360.410 2.750 20 5 FFBDRO C[C@@H](C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])Oc1ccc(F)cc1 ZINC000591744978 520019480 /nfs/dbraw/zinc/01/94/80/520019480.db2.gz YHMMUJCVXGDVFH-DZGCQCFKSA-N 1 0 364.373 2.531 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H]1CCO[C@H](c2ccccc2)C1 ZINC000591760890 520026514 /nfs/dbraw/zinc/02/65/14/520026514.db2.gz QQTDAFMPPWIZCE-QKLQHJQFSA-N 1 0 372.421 2.844 20 5 FFBDRO CC(C)[C@H](C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccnn1C ZINC000591763464 520028980 /nfs/dbraw/zinc/02/89/80/520028980.db2.gz ICSYNMBYZRXZCO-AWEZNQCLSA-N 1 0 359.430 2.686 20 5 FFBDRO O=[N+]([O-])c1ccc(CN2CCOCC2)cc1N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594604059 520049923 /nfs/dbraw/zinc/04/99/23/520049923.db2.gz XRPKZDRUBPUBKI-PKOBYXMFSA-N 1 0 374.485 2.856 20 5 FFBDRO O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CC[NH2+]C2(CCCCC2)C1 ZINC000594628899 520060876 /nfs/dbraw/zinc/06/08/76/520060876.db2.gz NVKCSSFXQXJIPO-UHFFFAOYSA-N 1 0 369.425 2.529 20 5 FFBDRO CC(C)(C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1)n1cc([N+](=O)[O-])cn1 ZINC000608805936 520133326 /nfs/dbraw/zinc/13/33/26/520133326.db2.gz URYWRRSOFOCZNI-UHFFFAOYSA-N 1 0 371.441 2.803 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCc4ccc(O)cc4CC3)n2)c1 ZINC000608866715 520148903 /nfs/dbraw/zinc/14/89/03/520148903.db2.gz VMRREXFOWTUAPU-UHFFFAOYSA-N 1 0 366.377 2.951 20 5 FFBDRO Cc1n[nH]c(C(=O)N2CC[N@H+](Cc3ccccc3)[C@@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000600252755 520159403 /nfs/dbraw/zinc/15/94/03/520159403.db2.gz NEIXDABCEIJAIG-MRXNPFEDSA-N 1 0 371.441 2.609 20 5 FFBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CC(C[NH+](C)C)C3)cc2[N+](=O)[O-])C1 ZINC000597709573 520190059 /nfs/dbraw/zinc/19/00/59/520190059.db2.gz YHCHOLRRBLSIDV-GASCZTMLSA-N 1 0 374.485 2.711 20 5 FFBDRO Cc1cc(S(=O)(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000594854521 520191047 /nfs/dbraw/zinc/19/10/47/520191047.db2.gz OYRJRVDCIWWSTG-CQSZACIVSA-N 1 0 367.471 2.589 20 5 FFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000600311263 520197435 /nfs/dbraw/zinc/19/74/35/520197435.db2.gz ONCJQALHURYYPL-KBPBESRZSA-N 1 0 351.472 2.924 20 5 FFBDRO C[N@@H+]1CCCC[C@@H](CNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000600311202 520197933 /nfs/dbraw/zinc/19/79/33/520197933.db2.gz OKQBIKFVZRYIIF-INIZCTEOSA-N 1 0 374.485 2.659 20 5 FFBDRO CCc1ccc(C[N@H+](CC(C)C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000592138994 520213891 /nfs/dbraw/zinc/21/38/91/520213891.db2.gz UMAMMIKKXZOMQN-IBGZPJMESA-N 1 0 360.458 2.873 20 5 FFBDRO CC[NH+](CC)CCN(CCOC)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000609189044 520224173 /nfs/dbraw/zinc/22/41/73/520224173.db2.gz SWKTUZTZEFDXNV-UHFFFAOYSA-N 1 0 362.430 2.507 20 5 FFBDRO COCC(=O)N1CCC([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000609222868 520237123 /nfs/dbraw/zinc/23/71/23/520237123.db2.gz MEEOESIAYVHIFE-UHFFFAOYSA-N 1 0 373.409 2.582 20 5 FFBDRO CCO[C@@H]1C[C@@H]([NH2+]CCC(=O)Nc2cccc([N+](=O)[O-])c2C)[C@@H]1SC ZINC000592174325 520245386 /nfs/dbraw/zinc/24/53/86/520245386.db2.gz PVEWVRRPGSTYIG-UNEWFSDZSA-N 1 0 367.471 2.730 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C(C)C)C1(CO)CC=CC1 ZINC000592178305 520247245 /nfs/dbraw/zinc/24/72/45/520247245.db2.gz YFFSUNIHVVZHDD-SFHVURJKSA-N 1 0 361.442 2.785 20 5 FFBDRO C[C@H]1COCC[N@@H+]1C1CCN(c2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000603400383 520248163 /nfs/dbraw/zinc/24/81/63/520248163.db2.gz HDEXKNRYJMDOOL-AWEZNQCLSA-N 1 0 356.426 2.833 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H](O)COc1ccc(F)cc1 ZINC000595017237 520259259 /nfs/dbraw/zinc/25/92/59/520259259.db2.gz KVWGZBOESGVMTA-DOMZBBRYSA-N 1 0 364.373 2.833 20 5 FFBDRO COCCC[NH+]1CCC(N[C@@H](C)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000595035367 520263116 /nfs/dbraw/zinc/26/31/16/520263116.db2.gz IMYFYTIJZYAXBN-AWEZNQCLSA-N 1 0 351.447 2.755 20 5 FFBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000609310300 520270147 /nfs/dbraw/zinc/27/01/47/520270147.db2.gz ZXNZQVNXLSZYJZ-MRXNPFEDSA-N 1 0 360.458 2.920 20 5 FFBDRO O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000600470720 520278213 /nfs/dbraw/zinc/27/82/13/520278213.db2.gz ICDZZVCYILPDBF-QGZVFWFLSA-N 1 0 372.469 2.942 20 5 FFBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)cc1OC ZINC000597859347 520287020 /nfs/dbraw/zinc/28/70/20/520287020.db2.gz VBSAJZRPLOTJST-LBPRGKRZSA-N 1 0 365.430 2.605 20 5 FFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CC2(O)CCC(F)(F)CC2)n1 ZINC000595093738 520290886 /nfs/dbraw/zinc/29/08/86/520290886.db2.gz OSBLESMGCZUCCL-STQMWFEESA-N 1 0 358.389 2.805 20 5 FFBDRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000609358852 520294898 /nfs/dbraw/zinc/29/48/98/520294898.db2.gz GBPRTJXAGSWZHM-GJZGRUSLSA-N 1 0 363.462 2.569 20 5 FFBDRO CCCc1n[nH]c(C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000609476783 520323727 /nfs/dbraw/zinc/32/37/27/520323727.db2.gz REXKPCAQHDTPFP-LBPRGKRZSA-N 1 0 351.451 2.511 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000597925412 520326286 /nfs/dbraw/zinc/32/62/86/520326286.db2.gz ORVKVVCCVSRKJT-HNNXBMFYSA-N 1 0 360.458 2.798 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C1 ZINC000597926029 520327178 /nfs/dbraw/zinc/32/71/78/520327178.db2.gz ZRILEDGOMYCRJY-ZDUSSCGKSA-N 1 0 357.414 2.588 20 5 FFBDRO CC[C@H]1CN(C(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000592331943 520339181 /nfs/dbraw/zinc/33/91/81/520339181.db2.gz CWKOYDZYFSTGTI-CMPLNLGQSA-N 1 0 353.444 2.525 20 5 FFBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000597943361 520343155 /nfs/dbraw/zinc/34/31/55/520343155.db2.gz ZFOWOWKFCRMAFC-ZDUSSCGKSA-N 1 0 370.881 2.558 20 5 FFBDRO CCN(C(=O)c1cc([N+](=O)[O-])cc(Br)c1C)[C@H]1CC[N@H+](C)C1 ZINC000597945057 520344379 /nfs/dbraw/zinc/34/43/79/520344379.db2.gz HFPXRLXJPWASII-NSHDSACASA-N 1 0 370.247 2.832 20 5 FFBDRO C[N@H+](CCn1cnc2sc([N+](=O)[O-])cc2c1=O)Cc1ccc(F)cc1 ZINC000592357965 520348819 /nfs/dbraw/zinc/34/88/19/520348819.db2.gz YPELKDYQGDJJKM-UHFFFAOYSA-N 1 0 362.386 2.637 20 5 FFBDRO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc21)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000595221631 520356537 /nfs/dbraw/zinc/35/65/37/520356537.db2.gz BFMZPDLYEYJOFZ-AWEZNQCLSA-N 1 0 356.426 2.928 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000595223193 520358170 /nfs/dbraw/zinc/35/81/70/520358170.db2.gz RDWBUMTXOLPHEE-OAHLLOKOSA-N 1 0 368.437 2.995 20 5 FFBDRO CC(C)[NH2+][C@H]1CCCN(c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])C1 ZINC000609560988 520358532 /nfs/dbraw/zinc/35/85/32/520358532.db2.gz OUQFVVNOUJARAP-HNNXBMFYSA-N 1 0 371.441 2.526 20 5 FFBDRO COc1ccc(C(=O)N2CC[C@H](c3cccc(F)c3)[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000595226647 520360789 /nfs/dbraw/zinc/36/07/89/520360789.db2.gz XMXYEWZBBOFJNL-HZPDHXFCSA-N 1 0 373.384 2.700 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CC2(c3ccc(F)cc3)CC2)c1 ZINC000603840996 520372982 /nfs/dbraw/zinc/37/29/82/520372982.db2.gz PUPMHGPLKIZHJC-KRWDZBQOSA-N 1 0 360.385 2.795 20 5 FFBDRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)c2cccc([N+](=O)[O-])c2)cc1F ZINC000595256876 520374834 /nfs/dbraw/zinc/37/48/34/520374834.db2.gz WNOTWSIEQODLKH-RDJZCZTQSA-N 1 0 373.384 2.618 20 5 FFBDRO CCOC(=O)CC[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C(C)C ZINC000613199632 520380903 /nfs/dbraw/zinc/38/09/03/520380903.db2.gz ONUMISOIRANFIS-UHFFFAOYSA-N 1 0 362.386 2.808 20 5 FFBDRO O=[N+]([O-])c1ncccc1NCCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000603867510 520385104 /nfs/dbraw/zinc/38/51/04/520385104.db2.gz WMQHCCLIAFBCKY-UHFFFAOYSA-N 1 0 369.469 3.000 20 5 FFBDRO Cn1cc(CN2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000592426369 520385692 /nfs/dbraw/zinc/38/56/92/520385692.db2.gz ZHRASMKHLCLPAC-QFBILLFUSA-N 1 0 369.469 2.959 20 5 FFBDRO CCN(C(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CC[N@H+](CC)C1 ZINC000598040544 520389488 /nfs/dbraw/zinc/38/94/88/520389488.db2.gz HTNPBLQEPSNTMB-GXTWGEPZSA-N 1 0 369.849 2.958 20 5 FFBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000609708515 520412720 /nfs/dbraw/zinc/41/27/20/520412720.db2.gz DPHCIQPOGYNPLF-INIZCTEOSA-N 1 0 371.503 2.802 20 5 FFBDRO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000609758132 520423021 /nfs/dbraw/zinc/42/30/21/520423021.db2.gz LBPIPTADTRSQFF-CJNGLKHVSA-N 1 0 358.442 2.868 20 5 FFBDRO CC[C@@H](NC(=O)c1cnn2c1[C@@H](C[NH3+])CCC2)c1cccc([N+](=O)[O-])c1 ZINC000592538542 520448130 /nfs/dbraw/zinc/44/81/30/520448130.db2.gz SYSAHNVNKYAOQU-CZUORRHYSA-N 1 0 357.414 2.509 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3CCCS(=O)(=O)C3)o2)cc1 ZINC000609851547 520456901 /nfs/dbraw/zinc/45/69/01/520456901.db2.gz XPALXWCQTPWJPY-CYBMUJFWSA-N 1 0 350.396 2.522 20 5 FFBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)n1 ZINC000617405047 520478407 /nfs/dbraw/zinc/47/84/07/520478407.db2.gz XJYVEWYEQRLJFG-MRXNPFEDSA-N 1 0 371.441 2.768 20 5 FFBDRO C[C@H](c1ccccc1)[C@@H](CO)[NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000613388994 520478580 /nfs/dbraw/zinc/47/85/80/520478580.db2.gz AYDMBNKEKICCSL-QWQRMKEZSA-N 1 0 357.410 2.676 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H](CO)[C@H](C)c1ccccc1 ZINC000613389785 520479259 /nfs/dbraw/zinc/47/92/59/520479259.db2.gz QROVPFFKIJODOP-RDTXWAMCSA-N 1 0 357.410 2.596 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](CO)[C@H](C)c1ccccc1 ZINC000613390230 520481133 /nfs/dbraw/zinc/48/11/33/520481133.db2.gz ZTWXIQATLMZWPZ-BEFAXECRSA-N 1 0 371.437 2.986 20 5 FFBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N[C@H]3CCC[N@H+](C)C3)cc2[N+](=O)[O-])C1 ZINC000604198970 520483026 /nfs/dbraw/zinc/48/30/26/520483026.db2.gz NCPBBWDWEGDPGM-UXLLHSPISA-N 1 0 374.485 2.901 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(CN2CCC[C@@H]([NH+]3CCOCC3)CC2)c(F)c1 ZINC000595471694 520493397 /nfs/dbraw/zinc/49/33/97/520493397.db2.gz DCKRIVXZOTXCFC-CYBMUJFWSA-N 1 0 355.385 2.560 20 5 FFBDRO CN(C(=O)c1ccc([N+](=O)[O-])cc1Br)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000610044965 520515454 /nfs/dbraw/zinc/51/54/54/520515454.db2.gz KEDNKCLDFQKQDR-LBPRGKRZSA-N 1 0 368.231 2.666 20 5 FFBDRO CCOc1cc(CN2CCC(CO)([NH2+]CC(C)C)CC2)ccc1[N+](=O)[O-] ZINC000595513311 520520904 /nfs/dbraw/zinc/52/09/04/520520904.db2.gz UGWNXUNWLCUBQK-UHFFFAOYSA-N 1 0 365.474 2.566 20 5 FFBDRO O=C(CN(C1CC1)C1(CO)CCC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000595532995 520531706 /nfs/dbraw/zinc/53/17/06/520531706.db2.gz DWWPVQPKIXIIHA-UHFFFAOYSA-N 1 0 353.806 2.566 20 5 FFBDRO COCC[C@@H]1CCCC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000613503380 520533100 /nfs/dbraw/zinc/53/31/00/520533100.db2.gz QZYJAJBHOCHWDB-MAUKXSAKSA-N 1 0 361.442 2.839 20 5 FFBDRO CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000598341461 520564464 /nfs/dbraw/zinc/56/44/64/520564464.db2.gz BZXRNBKORAMFIP-SNVBAGLBSA-N 1 0 356.220 2.571 20 5 FFBDRO COC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC(C)C)C1CCOCC1 ZINC000595613656 520594013 /nfs/dbraw/zinc/59/40/13/520594013.db2.gz CYHLWDJVGSMOBN-QGZVFWFLSA-N 1 0 352.431 2.913 20 5 FFBDRO Cc1scc(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1C ZINC000601115805 520643490 /nfs/dbraw/zinc/64/34/90/520643490.db2.gz KYJNYHUCBCDFNU-UHFFFAOYSA-N 1 0 354.453 2.837 20 5 FFBDRO CC(C)n1c(Sc2ncc(F)cc2[N+](=O)[O-])nnc1[C@H]1CCC[NH2+]C1 ZINC000601118045 520645909 /nfs/dbraw/zinc/64/59/09/520645909.db2.gz DZYUGSSYKNXKJD-JTQLQIEISA-N 1 0 366.422 2.920 20 5 FFBDRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000610359985 520649685 /nfs/dbraw/zinc/64/96/85/520649685.db2.gz GZBDHCHWULFIHR-RDJZCZTQSA-N 1 0 356.426 2.635 20 5 FFBDRO CCCC[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](C)c1ccc(C)o1 ZINC000610368246 520653080 /nfs/dbraw/zinc/65/30/80/520653080.db2.gz PYDQZVDCNOYKHN-ZBFHGGJFSA-N 1 0 350.419 2.917 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@@H](c3cc4ccccc4[nH]3)C2)c1 ZINC000610392184 520664099 /nfs/dbraw/zinc/66/40/99/520664099.db2.gz ALPZMZZSBXXEMV-NVXWUHKLSA-N 1 0 369.425 2.513 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000610413143 520673432 /nfs/dbraw/zinc/67/34/32/520673432.db2.gz FWYBDRZCCBZQHY-CVEARBPZSA-N 1 0 360.458 2.789 20 5 FFBDRO O=[N+]([O-])c1ccc(NCc2ccc(CN3CCS(=O)CC3)cc2)cc1 ZINC000601178446 520674520 /nfs/dbraw/zinc/67/45/20/520674520.db2.gz QHPHNTJMHLRQIV-UHFFFAOYSA-N 1 0 359.451 2.771 20 5 FFBDRO Cc1cc(C(=O)N2CC3(CCCC3)OC[C@H]2C[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000598535934 520687353 /nfs/dbraw/zinc/68/73/53/520687353.db2.gz LSOYYWCJEDMUNY-QGZVFWFLSA-N 1 0 361.442 2.619 20 5 FFBDRO Cc1ccc(C(=O)N2CC3(CCCC3)OC[C@@H]2C[NH+](C)C)cc1[N+](=O)[O-] ZINC000598536235 520688122 /nfs/dbraw/zinc/68/81/22/520688122.db2.gz PMDHHKFUPIMGAB-INIZCTEOSA-N 1 0 361.442 2.619 20 5 FFBDRO Cc1cc(NC[C@@H](n2cncn2)C(F)(F)F)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000601219265 520692894 /nfs/dbraw/zinc/69/28/94/520692894.db2.gz FVCXQIPTVLCBQN-CQSZACIVSA-N 1 0 366.303 2.680 20 5 FFBDRO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000598557118 520702654 /nfs/dbraw/zinc/70/26/54/520702654.db2.gz AFMVKZUCBYHFPN-ZDUSSCGKSA-N 1 0 367.396 2.654 20 5 FFBDRO Cc1c(Br)cc(C(=O)N2CC[NH2+][C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000598571119 520715951 /nfs/dbraw/zinc/71/59/51/520715951.db2.gz GMAPNAIJQPAMLF-CYBMUJFWSA-N 1 0 370.247 2.736 20 5 FFBDRO O=[N+]([O-])c1ccc(OCCC[NH+]2CCC(O[C@@H]3CCOC3)CC2)cc1 ZINC000610504685 520718240 /nfs/dbraw/zinc/71/82/40/520718240.db2.gz ZOCBVEMKTCSSAF-GOSISDBHSA-N 1 0 350.415 2.634 20 5 FFBDRO O=C1[C@H]([N@@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000595786253 520723226 /nfs/dbraw/zinc/72/32/26/520723226.db2.gz HDASYRNGCNDLSF-ATZDWAIDSA-N 1 0 373.453 2.981 20 5 FFBDRO CC[N@H+](C)Cc1cccc(CNc2nccc(C(=O)OC)c2[N+](=O)[O-])c1 ZINC000598590088 520729339 /nfs/dbraw/zinc/72/93/39/520729339.db2.gz WZPICHLOKQXOLT-UHFFFAOYSA-N 1 0 358.398 2.840 20 5 FFBDRO O=C(CC[N@@H+]1CCOC(C2CC2)(C2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000595822619 520747078 /nfs/dbraw/zinc/74/70/78/520747078.db2.gz YFOMVPNSPJCHME-UHFFFAOYSA-N 1 0 359.426 2.814 20 5 FFBDRO Cc1cc(S(=O)(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])s1 ZINC000601340627 520749075 /nfs/dbraw/zinc/74/90/75/520749075.db2.gz RYTBMHXUYGACMV-ZDUSSCGKSA-N 1 0 373.500 2.604 20 5 FFBDRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593115980 520756478 /nfs/dbraw/zinc/75/64/78/520756478.db2.gz KCSYMNGYXJVJSJ-CQSZACIVSA-N 1 0 359.401 2.913 20 5 FFBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@@]3(CC3(F)F)C2)c([N+](=O)[O-])c1 ZINC000593119234 520758271 /nfs/dbraw/zinc/75/82/71/520758271.db2.gz VUEHGGGKGWKFTF-OAHLLOKOSA-N 1 0 355.341 2.663 20 5 FFBDRO [NH3+][C@@]12CCC[C@@H]1CN(C(=O)c1csc(-c3ccc([N+](=O)[O-])cc3)n1)C2 ZINC000598669347 520775926 /nfs/dbraw/zinc/77/59/26/520775926.db2.gz HXIPLVCLEXRVPI-SJKOYZFVSA-N 1 0 358.423 2.672 20 5 FFBDRO Cc1ccc(S(=O)(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]2)c(C)c1[N+](=O)[O-] ZINC000598714176 520804856 /nfs/dbraw/zinc/80/48/56/520804856.db2.gz GDYSIPJMBZGFFC-CABCVRRESA-N 1 0 367.471 2.507 20 5 FFBDRO COc1cc(CN2C[C@H]3CCC[C@]3([NH3+])C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000598722298 520810370 /nfs/dbraw/zinc/81/03/70/520810370.db2.gz YDXAFFOWOGUOJK-PXAZEXFGSA-N 1 0 371.384 2.561 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N2[C@H](C)C[N@H+](C)[C@@H](C)[C@@H]2C)cc1SC ZINC000593189143 520812742 /nfs/dbraw/zinc/81/27/42/520812742.db2.gz WEUYUNRQPOQMLO-WOPDTQHZSA-N 1 0 367.471 2.878 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000610733141 520820212 /nfs/dbraw/zinc/82/02/12/520820212.db2.gz KJPGZQUHSCRVRR-KRWDZBQOSA-N 1 0 361.442 2.620 20 5 FFBDRO [NH3+]C[C@@H]1CCCc2ccc(C(=O)NCCNc3ccc([N+](=O)[O-])cc3)cc21 ZINC000595915729 520821515 /nfs/dbraw/zinc/82/15/15/520821515.db2.gz MSIHDVUZPZJUOQ-INIZCTEOSA-N 1 0 368.437 2.815 20 5 FFBDRO CC[N@H+](CCNC(=O)c1c(F)cccc1[N+](=O)[O-])CCC(F)(F)F ZINC000601526981 520826540 /nfs/dbraw/zinc/82/65/40/520826540.db2.gz DYPULAOEROEOOU-UHFFFAOYSA-N 1 0 351.300 2.738 20 5 FFBDRO O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000601559608 520841469 /nfs/dbraw/zinc/84/14/69/520841469.db2.gz UZAVXFUKHRLOCZ-MFKMUULPSA-N 1 0 357.332 2.828 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000610816240 520853863 /nfs/dbraw/zinc/85/38/63/520853863.db2.gz DWNGGWFKWYHZKW-LSDHHAIUSA-N 1 0 368.437 2.932 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]Cc1cnccc1C(F)(F)F ZINC000596069408 520891946 /nfs/dbraw/zinc/89/19/46/520891946.db2.gz GKGZCIVTLUPTKL-LBPRGKRZSA-N 1 0 371.315 2.538 20 5 FFBDRO C[C@@H](CNc1ccc([N+](=O)[O-])c(C(N)=O)c1)[N@@H+]1CCc2sccc2C1 ZINC000596075319 520897888 /nfs/dbraw/zinc/89/78/88/520897888.db2.gz MFJGLNXXDBHSPH-NSHDSACASA-N 1 0 360.439 2.614 20 5 FFBDRO CN(CCCC[NH+](C)C)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000610906136 520900887 /nfs/dbraw/zinc/90/08/87/520900887.db2.gz FMXRIMBLNKGAQR-UHFFFAOYSA-N 1 0 358.236 2.771 20 5 FFBDRO CN(CC[NH+]1CCCCC1)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000593386189 520957397 /nfs/dbraw/zinc/95/73/97/520957397.db2.gz DZRIFYDBRTYLEZ-UHFFFAOYSA-N 1 0 368.865 2.918 20 5 FFBDRO C[C@@]1(C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)COc2ccccc2O1 ZINC000598984780 520959194 /nfs/dbraw/zinc/95/91/94/520959194.db2.gz ATSJRJCHOOLXMG-LJQANCHMSA-N 1 0 372.377 2.686 20 5 FFBDRO O=[N+]([O-])c1cc(C[NH2+]CC2(OCCO)CCC(F)(F)CC2)cs1 ZINC000598993999 520965817 /nfs/dbraw/zinc/96/58/17/520965817.db2.gz VMIOMXXKJGCFAR-UHFFFAOYSA-N 1 0 350.387 2.703 20 5 FFBDRO NC(=O)c1cc(NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000596223607 520979404 /nfs/dbraw/zinc/97/94/04/520979404.db2.gz PTCUKSJFOGSIMW-HNNXBMFYSA-N 1 0 354.410 2.628 20 5 FFBDRO CCOC(=O)c1cc(N2CC[C@H](C3CC[NH+](C)CC3)C2)ccc1[N+](=O)[O-] ZINC000611116273 520992391 /nfs/dbraw/zinc/99/23/91/520992391.db2.gz QQJBBBPQLONEKL-HNNXBMFYSA-N 1 0 361.442 2.940 20 5 FFBDRO O=[N+]([O-])c1cnc(N2CCC([N@@H+]3CCCOCC3)CC2)c(C(F)(F)F)c1 ZINC000596269366 521002424 /nfs/dbraw/zinc/00/24/24/521002424.db2.gz RVJLVZHCDPCQGT-UHFFFAOYSA-N 1 0 374.363 2.700 20 5 FFBDRO Cc1nc(N2CCO[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000593496582 521031411 /nfs/dbraw/zinc/03/14/11/521031411.db2.gz SNBAZHDMXYKIDF-RBUKOAKNSA-N 1 0 368.437 2.778 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCn2ccc(C(F)(F)F)n2)n1 ZINC000601963841 521044515 /nfs/dbraw/zinc/04/45/15/521044515.db2.gz NZAVKPGNJYAMPL-VXGBXAGGSA-N 1 0 372.351 2.780 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CC2([C@@H]3CCCCO3)CCC2)c1 ZINC000601969379 521047308 /nfs/dbraw/zinc/04/73/08/521047308.db2.gz QMGBRIRSFPHWDN-WMZOPIPTSA-N 1 0 364.442 2.664 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@H]3CCOc4ccccc43)CC2)cn1 ZINC000611254455 521059520 /nfs/dbraw/zinc/05/95/20/521059520.db2.gz NHSMOMYAQMEBFU-OAHLLOKOSA-N 1 0 354.410 2.678 20 5 FFBDRO COc1cc(C[NH2+]CCn2ccc(C(F)(F)F)n2)c([N+](=O)[O-])cc1OC ZINC000602016307 521079509 /nfs/dbraw/zinc/07/95/09/521079509.db2.gz BPAUBOKGHVZVAI-UHFFFAOYSA-N 1 0 374.319 2.617 20 5 FFBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000599218812 521092991 /nfs/dbraw/zinc/09/29/91/521092991.db2.gz CNPWFABNLJESCW-NSHDSACASA-N 1 0 370.247 2.819 20 5 FFBDRO COC(=O)Cc1ccc(NC[C@@H]2CC[N@@H+]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000596558298 521129619 /nfs/dbraw/zinc/12/96/19/521129619.db2.gz QDNVZBQVLFGKSU-KRWDZBQOSA-N 1 0 369.421 2.997 20 5 FFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]C2CCN(CC(F)F)CC2)n1 ZINC000618570576 521129767 /nfs/dbraw/zinc/12/97/67/521129767.db2.gz YVSZBSASVVHCFL-KBPBESRZSA-N 1 0 357.405 2.594 20 5 FFBDRO C[C@H](CO)C1CC[NH+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000593677261 521148474 /nfs/dbraw/zinc/14/84/74/521148474.db2.gz WGVNUCGRFGFSHA-CQSZACIVSA-N 1 0 358.442 2.836 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCCc2c1ccc(=O)n2C ZINC000593694439 521159606 /nfs/dbraw/zinc/15/96/06/521159606.db2.gz MLIYHMIGCSHRIQ-MRXNPFEDSA-N 1 0 357.410 2.859 20 5 FFBDRO Cc1c(NC(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cccc1[N+](=O)[O-] ZINC000593758977 521197131 /nfs/dbraw/zinc/19/71/31/521197131.db2.gz QRDGXKRMHNOBNF-VBQJREDUSA-N 1 0 362.430 2.653 20 5 FFBDRO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](OC(F)F)C2)c([N+](=O)[O-])c1 ZINC000611577756 521231835 /nfs/dbraw/zinc/23/18/35/521231835.db2.gz KRZUYVRLPSNVTL-GFCCVEGCSA-N 1 0 373.356 2.636 20 5 FFBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCC[C@H](OC(F)F)C1 ZINC000611579128 521232433 /nfs/dbraw/zinc/23/24/33/521232433.db2.gz IWNCRXAWWUAACY-LBPRGKRZSA-N 1 0 371.340 2.596 20 5 FFBDRO Cc1cc(S(=O)(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)c(C)cc1[N+](=O)[O-] ZINC000599464516 521240928 /nfs/dbraw/zinc/24/09/28/521240928.db2.gz NAHGDEJMKATVJF-HNNXBMFYSA-N 1 0 367.471 2.507 20 5 FFBDRO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc([N+](=O)[O-])cc1Br)C2 ZINC000593912374 521287703 /nfs/dbraw/zinc/28/77/03/521287703.db2.gz MGLVNYJFLBMFQK-BONVTDFDSA-N 1 0 368.231 2.558 20 5 FFBDRO C[C@@H]1CCCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)[C@@H]1CC[NH3+] ZINC000593916826 521290006 /nfs/dbraw/zinc/29/00/06/521290006.db2.gz SCQMYPQFLQGMLZ-NVXWUHKLSA-N 1 0 374.485 2.787 20 5 FFBDRO O=[N+]([O-])c1ccc2ncnc(N3CC[C@H](OCC[NH+]4CCCCC4)C3)c2c1 ZINC000611712253 521294213 /nfs/dbraw/zinc/29/42/13/521294213.db2.gz ZCJVURVCUYEQHV-INIZCTEOSA-N 1 0 371.441 2.619 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H](C)[C@H]2CC[NH3+])cc1SC ZINC000593934341 521298626 /nfs/dbraw/zinc/29/86/26/521298626.db2.gz MLAQRKWELZPPPV-WCQYABFASA-N 1 0 367.471 2.915 20 5 FFBDRO C[C@H]1CCCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])[C@@H]1CC[NH3+] ZINC000593933425 521299586 /nfs/dbraw/zinc/29/95/86/521299586.db2.gz AOCSLEDQLFJAPM-GXFFZTMASA-N 1 0 370.247 2.947 20 5 FFBDRO Cc1ccc(NC(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000599585639 521313394 /nfs/dbraw/zinc/31/33/94/521313394.db2.gz GAGIOLDRPFFODT-INIZCTEOSA-N 1 0 362.430 2.526 20 5 FFBDRO Cc1ccc(NC(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000599588448 521313441 /nfs/dbraw/zinc/31/34/41/521313441.db2.gz PAOZQHOQVOHBGV-CMPLNLGQSA-N 1 0 360.336 2.894 20 5 FFBDRO COc1ccc(OCC[NH2+][C@]2(CO)CCCC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000599595691 521318612 /nfs/dbraw/zinc/31/86/12/521318612.db2.gz PFGRGLKOGMXUGH-GOSISDBHSA-N 1 0 352.431 2.903 20 5 FFBDRO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N[C@H]1CC[NH2+]C12CCC2 ZINC000599595972 521318865 /nfs/dbraw/zinc/31/88/65/521318865.db2.gz PJFKQDRVNOADAG-LBPRGKRZSA-N 1 0 356.329 2.602 20 5 FFBDRO C[C@@H]1C[C@@H](N(C)Cc2cn(C)nc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000602472322 521364273 /nfs/dbraw/zinc/36/42/73/521364273.db2.gz DZEJDPCQHDCLRZ-QAPCUYQASA-N 1 0 357.458 2.813 20 5 FFBDRO CCC1([NH+]2CCOCC2)CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000599664089 521377193 /nfs/dbraw/zinc/37/71/93/521377193.db2.gz MTPZKEOMYFXUMG-UHFFFAOYSA-N 1 0 373.457 2.548 20 5 FFBDRO CC(=O)N1CCC([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602500930 521381946 /nfs/dbraw/zinc/38/19/46/521381946.db2.gz CNBFEGJSGOULHQ-UHFFFAOYSA-N 1 0 362.249 2.519 20 5 FFBDRO COc1cccc(C[C@@H]([NH3+])C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000602500971 521382203 /nfs/dbraw/zinc/38/22/03/521382203.db2.gz ROWHFHMRHHEKBH-LJQANCHMSA-N 1 0 369.421 2.664 20 5 FFBDRO [NH3+]CC12CCC(CC1)CN2C(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000602515860 521390733 /nfs/dbraw/zinc/39/07/33/521390733.db2.gz DJTVOMGYCUUZHW-UHFFFAOYSA-N 1 0 368.231 2.701 20 5 FFBDRO CO[C@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccccc1 ZINC000602518159 521392933 /nfs/dbraw/zinc/39/29/33/521392933.db2.gz LEXBTBXVNZEBOK-GOSISDBHSA-N 1 0 356.426 2.936 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCn3cnc4ccccc43)CC2)cn1 ZINC000602532396 521397885 /nfs/dbraw/zinc/39/78/85/521397885.db2.gz FURARQGZEMXKIA-UHFFFAOYSA-N 1 0 366.425 2.598 20 5 FFBDRO CCn1nc(C)c(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1C ZINC000602535610 521401194 /nfs/dbraw/zinc/40/11/94/521401194.db2.gz ZYXPIWUKNMRVGF-UHFFFAOYSA-N 1 0 358.446 2.582 20 5 FFBDRO CC(C)(C(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC000602540172 521401905 /nfs/dbraw/zinc/40/19/05/521401905.db2.gz JZZHEHOEHJBWCE-SMDDNHRTSA-N 1 0 373.375 2.858 20 5 FFBDRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000594102502 521404097 /nfs/dbraw/zinc/40/40/97/521404097.db2.gz MCMHAGNUQQEASJ-KLPPZKSPSA-N 1 0 357.863 2.797 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCc3ccc4c(c3)CCO4)CC2)cn1 ZINC000602545621 521404856 /nfs/dbraw/zinc/40/48/56/521404856.db2.gz HIAFLUCUQUXZML-UHFFFAOYSA-N 1 0 368.437 2.726 20 5 FFBDRO COC(=O)C1C[C@H](C)[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000599699204 521411448 /nfs/dbraw/zinc/41/14/48/521411448.db2.gz XMDZMAASSCNRJG-STQMWFEESA-N 1 0 363.414 2.585 20 5 FFBDRO CC(C)[C@H]1OCCC[C@H]1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602562854 521411981 /nfs/dbraw/zinc/41/19/81/521411981.db2.gz JSOJVCAPENWZED-HNAYVOBHSA-N 1 0 362.474 2.999 20 5 FFBDRO C[C@H](CC[S@@](C)=O)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602567554 521415650 /nfs/dbraw/zinc/41/56/50/521415650.db2.gz GSLQMLWPUWVEQU-LWESTGQBSA-N 1 0 355.279 2.666 20 5 FFBDRO [NH3+][C@@H]1CCCCCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000602577822 521419475 /nfs/dbraw/zinc/41/94/75/521419475.db2.gz CIVGFTYKFNGFIM-GFCCVEGCSA-N 1 0 356.220 2.701 20 5 FFBDRO [NH3+][C@@H]1CCCCCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000602578784 521421307 /nfs/dbraw/zinc/42/13/07/521421307.db2.gz HADZNOHEJWCVTI-MRXNPFEDSA-N 1 0 360.458 2.541 20 5 FFBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000602597754 521431742 /nfs/dbraw/zinc/43/17/42/521431742.db2.gz CVXPMNGJZBTHPA-UMSPYCQHSA-N 1 0 370.247 2.534 20 5 FFBDRO O=[N+]([O-])c1sc(C[NH2+]C[C@H](CO)c2cccnc2)cc1Br ZINC000602662559 521466636 /nfs/dbraw/zinc/46/66/36/521466636.db2.gz PAOVHKOCQBUQAE-SNVBAGLBSA-N 1 0 372.244 2.680 20 5 FFBDRO C[C@H](Cc1cnn(C)c1)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602685104 521479090 /nfs/dbraw/zinc/47/90/90/521479090.db2.gz YKPBPSARJMQKMT-MRVPVSSYSA-N 1 0 359.249 2.873 20 5 FFBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000599823850 521492566 /nfs/dbraw/zinc/49/25/66/521492566.db2.gz YRHFQRQSWMHMJG-LLVKDONJSA-N 1 0 370.247 2.914 20 5 FFBDRO C[C@@H](c1ccccc1)[C@H](O)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602724655 521497977 /nfs/dbraw/zinc/49/79/77/521497977.db2.gz UNVJDZWLJHXFDI-HNAYVOBHSA-N 1 0 370.453 2.713 20 5 FFBDRO C[NH+]1CCC(C)(CNC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)CC1 ZINC000599831797 521499034 /nfs/dbraw/zinc/49/90/34/521499034.db2.gz AGWQYKCKDQLOGB-UHFFFAOYSA-N 1 0 357.414 2.996 20 5 FFBDRO O=C(Nc1ccc([N+](=O)[O-])c2ccncc12)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000599830642 521499568 /nfs/dbraw/zinc/49/95/68/521499568.db2.gz WDVWCRSWKHRAPH-CYBMUJFWSA-N 1 0 355.398 2.749 20 5 FFBDRO COc1cc(C[NH2+][C@@H]2C[C@H](C)O[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000602732572 521502950 /nfs/dbraw/zinc/50/29/50/521502950.db2.gz AGDOLEZFDSUGAG-HOSYDEDBSA-N 1 0 360.357 2.903 20 5 FFBDRO CC1([NH+]2CCCC2)CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000602735708 521504195 /nfs/dbraw/zinc/50/41/95/521504195.db2.gz XGKWXODAUNONAM-UHFFFAOYSA-N 1 0 361.442 2.912 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000602781653 521529884 /nfs/dbraw/zinc/52/98/84/521529884.db2.gz UTWZJAQEFILEFV-OAHLLOKOSA-N 1 0 360.389 2.834 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000602834304 521560381 /nfs/dbraw/zinc/56/03/81/521560381.db2.gz YKLOTPVMLQSGHR-SQNIBIBYSA-N 1 0 356.426 2.604 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@](C)(CO)c1cc(Cl)cc(Cl)c1 ZINC000602841151 521564481 /nfs/dbraw/zinc/56/44/81/521564481.db2.gz QWZYYVDVKPPBRD-HNNXBMFYSA-N 1 0 373.240 2.904 20 5 FFBDRO COc1c(C(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cccc1[N+](=O)[O-] ZINC000619442454 521570541 /nfs/dbraw/zinc/57/05/41/521570541.db2.gz VNIXBDCAZMXSLA-KGLIPLIRSA-N 1 0 361.442 2.986 20 5 FFBDRO O=C1CC[C@@H]2C[N@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)CC[C@H]2N1 ZINC000597204843 521572521 /nfs/dbraw/zinc/57/25/21/521572521.db2.gz GGAOTVBBYQQQIC-RHSMWYFYSA-N 1 0 355.394 2.955 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+][C@H](C)c2cnccc2C)cc1[N+](=O)[O-] ZINC000616092887 521619575 /nfs/dbraw/zinc/61/95/75/521619575.db2.gz KECGLZNXFIGLAQ-CYBMUJFWSA-N 1 0 359.382 2.701 20 5 FFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC000820253254 606997639 /nfs/dbraw/zinc/99/76/39/606997639.db2.gz HMDGIXOTSMBEOQ-ZDUSSCGKSA-N 1 0 352.398 2.886 20 5 FFBDRO C[NH+](C)[C@H](CNc1ccc(-c2nn[nH]n2)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000825848429 607840507 /nfs/dbraw/zinc/84/05/07/607840507.db2.gz CRBIYDREXCWTTR-MRXNPFEDSA-N 1 0 359.434 2.697 20 5 FFBDRO C[C@@H]([NH2+]CCCOc1cccc(-c2nn[nH]n2)c1)c1cccc([N+](=O)[O-])c1 ZINC000824592238 608468436 /nfs/dbraw/zinc/46/84/36/608468436.db2.gz KSUTWTASVXRPKZ-CYBMUJFWSA-N 1 0 368.397 2.895 20 5 FFBDRO Cc1nc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)ncc1[N+](=O)[O-] ZINC001164631594 719108311 /nfs/dbraw/zinc/10/83/11/719108311.db2.gz YRCOQKILAOWBTJ-WMZOPIPTSA-N 1 0 353.426 2.794 20 5 FFBDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(C)cc(C)c1[N+](=O)[O-])C2 ZINC001164807454 720126494 /nfs/dbraw/zinc/12/64/94/720126494.db2.gz CLLNUJRNILCXSS-PXNSSMCTSA-N 1 0 374.485 2.791 20 5 FFBDRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2ncc([N+](=O)[O-])c3ccccc32)C1 ZINC001164726684 720513011 /nfs/dbraw/zinc/51/30/11/720513011.db2.gz CTDRAPWRISZDJJ-AWEZNQCLSA-N 1 0 366.425 2.538 20 5 FFBDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ncc([N+](=O)[O-])cc1F)[C@@H]2C ZINC001164859282 720948053 /nfs/dbraw/zinc/94/80/53/720948053.db2.gz MASUJKRNPBEQDY-GFCCVEGCSA-N 1 0 362.409 2.747 20 5 FFBDRO Cc1nc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC001164896264 721511948 /nfs/dbraw/zinc/51/19/48/721511948.db2.gz AESSGNGEUAHDJU-DOTOQJQBSA-N 1 0 372.400 2.779 20 5 FFBDRO COc1c(O)ccc(C[N@@H+]2CCCC[C@H]([C@@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC000898513776 735373514 /nfs/dbraw/zinc/37/35/14/735373514.db2.gz YEOKOPMMSHXVFA-DZGCQCFKSA-N 1 0 350.415 2.948 20 5 FFBDRO CC(C)C[N@@H+]1CCO[C@@H](COC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000073194662 728218678 /nfs/dbraw/zinc/21/86/78/728218678.db2.gz MJJLWXFZQZPSAM-CYBMUJFWSA-N 1 0 356.806 2.762 20 5 FFBDRO CC[C@@H](C)[N@H+](C)CCNc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000110508285 728532171 /nfs/dbraw/zinc/53/21/71/728532171.db2.gz AFYJQGYSHHKINB-SNVBAGLBSA-N 1 0 365.402 2.733 20 5 FFBDRO CC(C)(C)[S@@](=O)CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000127622901 728706822 /nfs/dbraw/zinc/70/68/22/728706822.db2.gz WQWBYSHOVRPDJY-XMMPIXPASA-N 1 0 353.488 2.700 20 5 FFBDRO CC[C@@](C)(CC(=O)OC)[NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000134096878 728728625 /nfs/dbraw/zinc/72/86/25/728728625.db2.gz OZDHCJPQTVCDQG-KRWDZBQOSA-N 1 0 351.403 2.553 20 5 FFBDRO C[C@@H]([NH3+])C1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000165888071 728974804 /nfs/dbraw/zinc/97/48/04/728974804.db2.gz BGPRUIWSEMJHQM-SECBINFHSA-N 1 0 356.220 2.557 20 5 FFBDRO CC(C)[N@@H+]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2Br)CC1 ZINC000760814742 736670451 /nfs/dbraw/zinc/67/04/51/736670451.db2.gz BLSHKTMHMVOKQR-UHFFFAOYSA-N 1 0 370.247 2.914 20 5 FFBDRO COCC[N@@H+]1CCC[C@@H]1CNc1cccc(Br)c1[N+](=O)[O-] ZINC000856728636 730350901 /nfs/dbraw/zinc/35/09/01/730350901.db2.gz XCUIOPURIVIRTB-LLVKDONJSA-N 1 0 358.236 2.880 20 5 FFBDRO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000856813212 730359219 /nfs/dbraw/zinc/35/92/19/730359219.db2.gz LYOQADNKKBYHIT-LBPRGKRZSA-N 1 0 353.419 2.996 20 5 FFBDRO C[C@@H]1C[N@@H+](CCCCNC(=O)c2cccc([N+](=O)[O-])c2Cl)C[C@H](C)O1 ZINC000859942399 730469950 /nfs/dbraw/zinc/46/99/50/730469950.db2.gz UCRDVDALUSVBMH-BETUJISGSA-N 1 0 369.849 2.867 20 5 FFBDRO CO[C@H]1C[N@H+](C)[C@@](C)(COC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000861345977 730602251 /nfs/dbraw/zinc/60/22/51/730602251.db2.gz BXUMUVXWNGKSAY-CRAIPNDOSA-N 1 0 350.415 2.525 20 5 FFBDRO Cc1c(NC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)cccc1[N+](=O)[O-] ZINC000925138531 738481367 /nfs/dbraw/zinc/48/13/67/738481367.db2.gz HINXVWRCUKEHSD-ZFWWWQNUSA-N 1 0 350.444 2.605 20 5 FFBDRO C[C@H]1CCC[N@H+](CCCCNC(=O)Cc2cccc(F)c2[N+](=O)[O-])C1 ZINC000864883410 730888211 /nfs/dbraw/zinc/88/82/11/730888211.db2.gz AWEIZSPXSMVIFD-AWEZNQCLSA-N 1 0 351.422 2.905 20 5 FFBDRO COC(=O)N1CCC(C[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000866357594 731051739 /nfs/dbraw/zinc/05/17/39/731051739.db2.gz INIRRWAEWTYHLE-LBPRGKRZSA-N 1 0 353.394 2.733 20 5 FFBDRO CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000866386181 731054106 /nfs/dbraw/zinc/05/41/06/731054106.db2.gz BBIOUGQIQDUXOA-WRFANHODSA-N 1 0 354.422 2.821 20 5 FFBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000868035999 731253389 /nfs/dbraw/zinc/25/33/89/731253389.db2.gz YQEUIQUGBSWAID-HZMBPMFUSA-N 1 0 355.797 2.530 20 5 FFBDRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000874832579 732105083 /nfs/dbraw/zinc/10/50/83/732105083.db2.gz FXRPAPWJXNNTGN-STQMWFEESA-N 1 0 355.341 2.505 20 5 FFBDRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000874837187 732105741 /nfs/dbraw/zinc/10/57/41/732105741.db2.gz IZUFOJFYQPPDAK-CHWSQXEVSA-N 1 0 368.231 2.666 20 5 FFBDRO C[N@@H+]1CC[C@@H]2CN(Cc3ccc(Br)c([N+](=O)[O-])c3)CC[C@H]21 ZINC000877742376 732422391 /nfs/dbraw/zinc/42/23/91/732422391.db2.gz DABYVQCXJPUQLD-TZMCWYRMSA-N 1 0 354.248 2.883 20 5 FFBDRO CC[N@@H+]1CCCN(Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CC1 ZINC000878036121 732471975 /nfs/dbraw/zinc/47/19/75/732471975.db2.gz GXTURNFZCQVOPA-UHFFFAOYSA-N 1 0 365.821 2.826 20 5 FFBDRO COCCN(Cc1c(F)cc([N+](=O)[O-])cc1F)CC1CC[NH+](C)CC1 ZINC000879127045 732651562 /nfs/dbraw/zinc/65/15/62/732651562.db2.gz QEMFNPCBDMAAJR-UHFFFAOYSA-N 1 0 357.401 2.663 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(CN2CCC[C@@H]([NH2+]C3CCOCC3)C2)c(F)c1 ZINC000880207221 732865540 /nfs/dbraw/zinc/86/55/40/732865540.db2.gz VHIRNCRQDYJMGG-CYBMUJFWSA-N 1 0 355.385 2.606 20 5 FFBDRO O=[N+]([O-])c1ccc(Cl)c(CN2CCC[C@H]([NH2+]C3CCOCC3)C2)c1 ZINC000880208563 732866110 /nfs/dbraw/zinc/86/61/10/732866110.db2.gz JGIRHWXFYZTHSV-HNNXBMFYSA-N 1 0 353.850 2.981 20 5 FFBDRO CC[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCCOC1 ZINC000880470275 732912009 /nfs/dbraw/zinc/91/20/09/732912009.db2.gz ZGGLQVDKBOJKPR-FZMZJTMJSA-N 1 0 355.822 2.982 20 5 FFBDRO CC[C@H]([NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CCCOC1 ZINC000880469562 732912029 /nfs/dbraw/zinc/91/20/29/732912029.db2.gz VVXUMPSFHMIZEY-FZMZJTMJSA-N 1 0 355.822 2.982 20 5 FFBDRO CC(C)(C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)CS(C)(=O)=O ZINC000926956839 738673857 /nfs/dbraw/zinc/67/38/57/738673857.db2.gz ZZYQUHSHHPIVOW-HNNXBMFYSA-N 1 0 354.472 2.978 20 5 FFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCc2nnn(C)c2C1 ZINC000927150675 738697303 /nfs/dbraw/zinc/69/73/03/738697303.db2.gz NQWBIEVCBADALU-QWHCGFSZSA-N 1 0 361.471 2.741 20 5 FFBDRO COC[C@@H]([NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000883295403 733361635 /nfs/dbraw/zinc/36/16/35/733361635.db2.gz HLAAGDFHPUJXTA-GXTWGEPZSA-N 1 0 373.247 2.889 20 5 FFBDRO CC1(C)C[C@H]([NH2+]CC[C@@H]2CCCS2(=O)=O)c2cc([N+](=O)[O-])ccc21 ZINC000883308116 733365780 /nfs/dbraw/zinc/36/57/80/733365780.db2.gz IIVZVLYBBJKWBL-BBRMVZONSA-N 1 0 352.456 2.874 20 5 FFBDRO C[NH2+]C[C@H]1CCCCN1C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000883531263 733399205 /nfs/dbraw/zinc/39/92/05/733399205.db2.gz JMZCUQLKRXYXEK-LLVKDONJSA-N 1 0 358.345 2.802 20 5 FFBDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2cccnc2[N+](=O)[O-])C1(C)C ZINC000886238572 733764930 /nfs/dbraw/zinc/76/49/30/733764930.db2.gz CRWLPEUETQMLBR-ZDUSSCGKSA-N 1 0 350.419 2.867 20 5 FFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000888288151 734032360 /nfs/dbraw/zinc/03/23/60/734032360.db2.gz CQBGLVFOVSDULT-NWDGAFQWSA-N 1 0 368.821 2.541 20 5 FFBDRO CCOc1cc(NC(=O)N2CC[C@@H]([NH+](CC)CC)C2)ccc1[N+](=O)[O-] ZINC000888834706 734103840 /nfs/dbraw/zinc/10/38/40/734103840.db2.gz OIFOHGNGJGLANW-CQSZACIVSA-N 1 0 350.419 2.942 20 5 FFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCC([NH2+]C2CCC2)CC1 ZINC000889833274 734232577 /nfs/dbraw/zinc/23/25/77/734232577.db2.gz YHGOBRPUNPTDRV-UHFFFAOYSA-N 1 0 351.834 2.924 20 5 FFBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@H](C3OCCO3)C2)c1Br ZINC000718980629 734377077 /nfs/dbraw/zinc/37/70/77/734377077.db2.gz QXRMJNVJUIDBSN-NSHDSACASA-N 1 0 357.204 2.552 20 5 FFBDRO O=[N+]([O-])c1cnc2cc(Br)ccc2c1N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000891928702 734496520 /nfs/dbraw/zinc/49/65/20/734496520.db2.gz HAOSVQKWAHGANH-NXEZZACHSA-N 1 0 363.215 2.561 20 5 FFBDRO O=C(NCC(F)(F)F)[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000783680057 738826023 /nfs/dbraw/zinc/82/60/23/738826023.db2.gz PBLUWYAHWAAPMN-JTQLQIEISA-N 1 0 365.739 2.749 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)ccc1CNC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000893011533 734637495 /nfs/dbraw/zinc/63/74/95/734637495.db2.gz KRRHZGMXSREWGY-ZDUSSCGKSA-N 1 0 353.850 2.839 20 5 FFBDRO COc1c(O)ccc(C[NH2+][C@H]2CCOC3(CCSCC3)C2)c1[N+](=O)[O-] ZINC000893211523 734669190 /nfs/dbraw/zinc/66/91/90/734669190.db2.gz XYAQSNQMMOQEHZ-ZDUSSCGKSA-N 1 0 368.455 2.843 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C[C@H]1CCC2(CCOCC2)[C@H]1O ZINC000894277775 734829460 /nfs/dbraw/zinc/82/94/60/734829460.db2.gz MSPWVOJSUFPDHX-CJNGLKHVSA-N 1 0 354.834 2.906 20 5 FFBDRO COc1cc(C[NH2+][C@@H](C(C)C)[C@H](O)C(F)(F)F)c([N+](=O)[O-])cc1OC ZINC000894682927 734900276 /nfs/dbraw/zinc/90/02/76/734900276.db2.gz GAZASAYSYQBZEJ-KBPBESRZSA-N 1 0 366.336 2.649 20 5 FFBDRO Cc1c(Br)c(N2CC[C@H](CC[NH+](C)C)C2)ncc1[N+](=O)[O-] ZINC000895324443 734991049 /nfs/dbraw/zinc/99/10/49/734991049.db2.gz HFVIENCLUCSQFZ-NSHDSACASA-N 1 0 357.252 2.839 20 5 FFBDRO CC1([NH+]2CCC2)CCC(Nc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CC1 ZINC000896255437 735126436 /nfs/dbraw/zinc/12/64/36/735126436.db2.gz KHBCUTCJYUPFPI-UHFFFAOYSA-N 1 0 367.471 2.817 20 5 FFBDRO C[C@@H](C[NH2+]Cc1c(Br)cnn1C)c1ccccc1[N+](=O)[O-] ZINC000897463506 735237943 /nfs/dbraw/zinc/23/79/43/735237943.db2.gz HLDCZPRNWLCKJS-JTQLQIEISA-N 1 0 353.220 2.984 20 5 FFBDRO C[N@@H+]1C[C@H]2CCN(C(=O)c3cc(F)c(Cl)c([N+](=O)[O-])c3Cl)[C@H]2C1 ZINC000897826192 735280901 /nfs/dbraw/zinc/28/09/01/735280901.db2.gz VAUXOWMCXWLPML-XCBNKYQSSA-N 1 0 362.188 2.817 20 5 FFBDRO CC(C)[C@H]([NH3+])c1cn(Cc2c(Br)cccc2[N+](=O)[O-])nn1 ZINC000900640966 735672892 /nfs/dbraw/zinc/67/28/92/735672892.db2.gz JIZBXOSLFBAEMB-ZDUSSCGKSA-N 1 0 354.208 2.653 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)c1 ZINC000749671398 735737585 /nfs/dbraw/zinc/73/75/85/735737585.db2.gz NZIROSXGXWPDIP-OAHLLOKOSA-N 1 0 364.785 2.843 20 5 FFBDRO COc1cc([C@@H](C)NCCC[N@@H+]2CCCO[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000903160469 736044771 /nfs/dbraw/zinc/04/47/71/736044771.db2.gz MMOYSLOTQZGUPN-LSDHHAIUSA-N 1 0 351.447 2.755 20 5 FFBDRO COc1cc(CN2CCC[C@]23CC[NH2+]C3)c([N+](=O)[O-])cc1OC(F)F ZINC000903864940 736180070 /nfs/dbraw/zinc/18/00/70/736180070.db2.gz OCRMNMGEKYHJKB-MRXNPFEDSA-N 1 0 357.357 2.533 20 5 FFBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@@H](O)C[C@@H](O)c2ccccc2)c1 ZINC000905160625 736303897 /nfs/dbraw/zinc/30/38/97/736303897.db2.gz PLBLTRFQYTUHFL-DOTOQJQBSA-N 1 0 350.802 2.822 20 5 FFBDRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000756778357 736360922 /nfs/dbraw/zinc/36/09/22/736360922.db2.gz UZWDZKMYAJTNRK-GFCCVEGCSA-N 1 0 354.838 2.922 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](C(F)(F)F)C1 ZINC000761049273 736690803 /nfs/dbraw/zinc/69/08/03/736690803.db2.gz PCTWUFMMWNPGJI-JTQLQIEISA-N 1 0 361.320 2.816 20 5 FFBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)CCc3ccc([N+](=O)[O-])cc3Cl)C2)C1 ZINC000908362012 736764039 /nfs/dbraw/zinc/76/40/39/736764039.db2.gz GTDJVWPMQZOIGY-KRWDZBQOSA-N 1 0 351.834 2.735 20 5 FFBDRO COCC[NH+]1CCC(Nc2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000765475174 737121993 /nfs/dbraw/zinc/12/19/93/737121993.db2.gz JNLPDAUWFGBSLC-UHFFFAOYSA-N 1 0 358.236 2.880 20 5 FFBDRO CC(C)c1n[nH]c(C(=O)N2[C@@H](CC[NH+](C)C)CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000912650114 737327646 /nfs/dbraw/zinc/32/76/46/737327646.db2.gz IENIDKPWAODAPC-QWHCGFSZSA-N 1 0 351.451 2.776 20 5 FFBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CCC([NH+]2CCC2)CC1 ZINC000912873694 737351753 /nfs/dbraw/zinc/35/17/53/737351753.db2.gz QPXZLVSESGZVHM-UHFFFAOYSA-N 1 0 355.797 2.627 20 5 FFBDRO O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CCC([NH+]2CCC2)CC1 ZINC000912871917 737351801 /nfs/dbraw/zinc/35/18/01/737351801.db2.gz GZRUKMCRDRZTPL-UHFFFAOYSA-N 1 0 357.332 2.924 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)CNC(=O)OC(C)(C)C ZINC000768946642 737481267 /nfs/dbraw/zinc/48/12/67/737481267.db2.gz SWOUHPLFRKNDOL-GFCCVEGCSA-N 1 0 353.419 2.996 20 5 FFBDRO CN(C)c1cc[nH+]c(CNCc2cc([N+](=O)[O-])ccc2OC(F)F)c1 ZINC000922477972 738152157 /nfs/dbraw/zinc/15/21/57/738152157.db2.gz GMPAJBDGMWTQTP-UHFFFAOYSA-N 1 0 352.341 2.947 20 5 FFBDRO CO[C@]1(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCSC1 ZINC000922572672 738168032 /nfs/dbraw/zinc/16/80/32/738168032.db2.gz ZECPQYKYGOVTRU-KRWDZBQOSA-N 1 0 362.455 2.607 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000922852851 738209754 /nfs/dbraw/zinc/20/97/54/738209754.db2.gz MYNUPXHFUDYHNC-UHFFFAOYSA-N 1 0 367.833 2.621 20 5 FFBDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000923267469 738264007 /nfs/dbraw/zinc/26/40/07/738264007.db2.gz WNIWRXRWFUTYAG-CMPLNLGQSA-N 1 0 357.332 2.922 20 5 FFBDRO CS[C@H]1CN(C(=O)c2cc(F)cc(C)c2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000777310867 738277251 /nfs/dbraw/zinc/27/72/51/738277251.db2.gz SVUSMNKJWXMISL-CABCVRRESA-N 1 0 367.446 2.694 20 5 FFBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923536423 738299218 /nfs/dbraw/zinc/29/92/18/738299218.db2.gz LJQWZWQHLPLHCW-PXAZEXFGSA-N 1 0 366.849 2.793 20 5 FFBDRO CC[N@@H+]1CCC[C@@H]1CNC(=S)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000777923769 738331787 /nfs/dbraw/zinc/33/17/87/738331787.db2.gz SIYXXBQVBOLJAZ-CQSZACIVSA-N 1 0 370.906 2.739 20 5 FFBDRO COC(=O)c1cnc([C@H]2CC[N@H+](CCc3ccc([N+](=O)[O-])cc3)C2)s1 ZINC000932662935 739487458 /nfs/dbraw/zinc/48/74/58/739487458.db2.gz KYLRIKWGLMENRU-ZDUSSCGKSA-N 1 0 361.423 2.870 20 5 FFBDRO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])N1CC[NH+](C2CCC2)CC1 ZINC000932761708 739511068 /nfs/dbraw/zinc/51/10/68/739511068.db2.gz PGYPYOULYAKIBS-UHFFFAOYSA-N 1 0 351.834 2.878 20 5 FFBDRO CCOC(=O)C1([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCOCC1 ZINC000933881022 739700687 /nfs/dbraw/zinc/70/06/87/739700687.db2.gz HEDVJVITDJKHNI-GFCCVEGCSA-N 1 0 354.378 2.572 20 5 FFBDRO CC(C)[N@@H+]1CCO[C@@H](COC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)C1 ZINC000802140869 740677839 /nfs/dbraw/zinc/67/78/39/740677839.db2.gz MOCWKRXMIYATQV-DZGCQCFKSA-N 1 0 368.455 2.728 20 5 FFBDRO O=[N+]([O-])c1cccc([N+](=O)[O-])c1NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000804349668 740862864 /nfs/dbraw/zinc/86/28/64/740862864.db2.gz PRZJFUXXNWNZOD-CYBMUJFWSA-N 1 0 350.375 2.558 20 5 FFBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]C[C@@H]2CCC=CO2)c1 ZINC000810155057 741393123 /nfs/dbraw/zinc/39/31/23/741393123.db2.gz WKGAXUKZWJYPND-ZDUSSCGKSA-N 1 0 374.178 2.982 20 5 FFBDRO CC(C)[N@H+](C)C[C@@H](C)Nc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000811859445 741568604 /nfs/dbraw/zinc/56/86/04/741568604.db2.gz RVWGHAMRTQHBDQ-SNVBAGLBSA-N 1 0 365.402 2.732 20 5 FFBDRO CCC[N@H+](CC)C[C@H](C)Nc1c([N+](=O)[O-])cc(CO)c(C)c1[N+](=O)[O-] ZINC000811866145 741569022 /nfs/dbraw/zinc/56/90/22/741569022.db2.gz DILZDRRYGUOTBE-NSHDSACASA-N 1 0 354.407 2.836 20 5 FFBDRO C[NH+](C)CCn1cc(NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])cn1 ZINC000812966067 741665781 /nfs/dbraw/zinc/66/57/81/741665781.db2.gz LJXFQUXRHOMPOD-UHFFFAOYSA-N 1 0 372.212 2.912 20 5 FFBDRO C[C@H](COC(=O)c1ccccc1OCC[N@@H+]1CCCC[C@@H]1C)[N+](=O)[O-] ZINC000813109036 741678051 /nfs/dbraw/zinc/67/80/51/741678051.db2.gz NRIGLLBQWYLRPM-LSDHHAIUSA-N 1 0 350.415 2.762 20 5 FFBDRO C[C@H]([NH2+]CC1CN(C(=O)OC(C)(C)C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815599717 741947270 /nfs/dbraw/zinc/94/72/70/741947270.db2.gz YXVQNRCSVDNGFN-NSHDSACASA-N 1 0 350.419 2.695 20 5 FFBDRO C[C@@H](CCNC(=O)OC(C)(C)C)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819215322 742355307 /nfs/dbraw/zinc/35/53/07/742355307.db2.gz XTNYNKUSUCULFG-SWLSCSKDSA-N 1 0 353.419 2.521 20 5 FFBDRO O=[N+]([O-])c1c(Br)cccc1NC[C@H](O)C[NH+]1CCCCC1 ZINC000820623906 742529362 /nfs/dbraw/zinc/52/93/62/742529362.db2.gz GUIWTVQBALXCHS-NSHDSACASA-N 1 0 358.236 2.616 20 5 FFBDRO C[C@@H](NC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)C(C)(C)C[NH+](C)C ZINC000826068476 743364124 /nfs/dbraw/zinc/36/41/24/743364124.db2.gz IHGKNVFDPDFYCM-LLVKDONJSA-N 1 0 354.426 2.506 20 5 FFBDRO C[N@@H+]1CC[C@H]2CN(C(=O)CCOc3ccc(Cl)cc3[N+](=O)[O-])CC[C@H]21 ZINC000827321127 743554772 /nfs/dbraw/zinc/55/47/72/743554772.db2.gz UNAYYXCVPCNWAK-GXTWGEPZSA-N 1 0 367.833 2.570 20 5 FFBDRO CC[NH+](CC)CCN(CC(C)C)c1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000827795196 744979177 /nfs/dbraw/zinc/97/91/77/744979177.db2.gz ZLGQFDZUKCOPBW-UHFFFAOYSA-N 1 0 371.503 2.803 20 5 FFBDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000830991006 745463336 /nfs/dbraw/zinc/46/33/36/745463336.db2.gz PUMKLDSRKKNVSZ-XWIASGKRSA-N 1 0 369.805 2.507 20 5 FFBDRO O=C(C[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000831159549 745492616 /nfs/dbraw/zinc/49/26/16/745492616.db2.gz WTGLYMFSMYURSH-BJJXKVORSA-N 1 0 367.833 2.812 20 5 FFBDRO CC1(C)[C@H]([NH2+]CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]2CCCO[C@@H]21 ZINC000831319779 745514626 /nfs/dbraw/zinc/51/46/26/745514626.db2.gz AHJPQWYWHJEWPS-XZJROXQQSA-N 1 0 367.833 2.980 20 5 FFBDRO CC(C)OCCOC1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000832494347 745707935 /nfs/dbraw/zinc/70/79/35/745707935.db2.gz LHPLOICDIXERKN-SFHVURJKSA-N 1 0 352.431 2.534 20 5 FFBDRO CCC[C@@H]([NH2+]CCS(=O)(=O)C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000834887825 745919783 /nfs/dbraw/zinc/91/97/83/745919783.db2.gz WSTUHKHCEIGLGO-QGZVFWFLSA-N 1 0 370.471 2.619 20 5 FFBDRO CC(C)(C)OC(=O)[C@]1(C)CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000839105060 746775853 /nfs/dbraw/zinc/77/58/53/746775853.db2.gz OEICIYCKWSHDSF-CRAIPNDOSA-N 1 0 350.415 2.682 20 5 FFBDRO CO[C@H]1C[C@H]([NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C12CCC2 ZINC000839188429 746798481 /nfs/dbraw/zinc/79/84/81/746798481.db2.gz CUESNVFXAZUEJT-GJZGRUSLSA-N 1 0 351.378 2.610 20 5 FFBDRO CC[N@@H+]1C[C@H](C)N(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000839532337 746848747 /nfs/dbraw/zinc/84/87/47/746848747.db2.gz WQEYIRSHFRGJFY-RYUDHWBXSA-N 1 0 354.838 2.601 20 5 FFBDRO CC[N@@H+]1CCC[C@@H]1CNC(=S)NNc1cc(Cl)ccc1[N+](=O)[O-] ZINC000840789646 747184043 /nfs/dbraw/zinc/18/40/43/747184043.db2.gz ICCXDEILYKDDBZ-LLVKDONJSA-N 1 0 357.867 2.524 20 5 FFBDRO O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000841160409 747283787 /nfs/dbraw/zinc/28/37/87/747283787.db2.gz CQPDZYJUKLPZTF-LLVKDONJSA-N 1 0 369.219 2.716 20 5 FFBDRO C[C@H]1C[C@@H](NC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000841161475 747284379 /nfs/dbraw/zinc/28/43/79/747284379.db2.gz LIAMEWKMJZGCOI-WPRPVWTQSA-N 1 0 357.208 2.619 20 5 FFBDRO CN(C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)[C@@H](C[NH3+])C1CC1 ZINC000841161546 747284433 /nfs/dbraw/zinc/28/44/33/747284433.db2.gz NCFHACPAXQGMHS-LBPRGKRZSA-N 1 0 357.208 2.558 20 5 FFBDRO CC1(C)[NH2+]CC[C@H]1NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841161164 747284516 /nfs/dbraw/zinc/28/45/16/747284516.db2.gz KPURWQDBSFPJLE-LLVKDONJSA-N 1 0 357.208 2.619 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@@H](O)c2c(F)cccc2Cl)cc1 ZINC000843084275 747764861 /nfs/dbraw/zinc/76/48/61/747764861.db2.gz OQSIMTXDVVPMKW-LSDHHAIUSA-N 1 0 354.765 2.744 20 5 FFBDRO O=[N+]([O-])c1cc(CN2CCC3(CC[NH2+]C3)CC2)ccc1Br ZINC000843126080 747777432 /nfs/dbraw/zinc/77/74/32/747777432.db2.gz FUILCLPVTBZWJE-UHFFFAOYSA-N 1 0 354.248 2.933 20 5 FFBDRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000843362352 747817468 /nfs/dbraw/zinc/81/74/68/747817468.db2.gz XNHPQDFCZLWDBR-VGPLMAKISA-N 1 0 352.822 2.531 20 5 FFBDRO CC(C)[C@H]1CN([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC[NH2+]1 ZINC000843376625 747820482 /nfs/dbraw/zinc/82/04/82/747820482.db2.gz LTJTVTIRJDRSIL-IAQYHMDHSA-N 1 0 354.838 2.505 20 5 FFBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000843480250 747842627 /nfs/dbraw/zinc/84/26/27/747842627.db2.gz FVBQWDJVZCINMG-MRXNPFEDSA-N 1 0 355.797 2.532 20 5 FFBDRO CC(C)C[N@H+](C)CCCNc1ccc([N+](=O)[O-])cc1N1CCOC1=O ZINC000845578932 748285108 /nfs/dbraw/zinc/28/51/08/748285108.db2.gz MOGMMLVULFJCIQ-UHFFFAOYSA-N 1 0 350.419 2.941 20 5 FFBDRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(C(=O)c3cc([N+](=O)[O-])ccc3Cl)C2)C1 ZINC000846717438 748529251 /nfs/dbraw/zinc/52/92/51/748529251.db2.gz FQJDKHNNUJVNDR-XHBSWPGZSA-N 1 0 367.833 2.607 20 5 FFBDRO COC(CCN1CCc2c(Br)ccc([N+](=O)[O-])c2C1)OC ZINC000852021829 749753952 /nfs/dbraw/zinc/75/39/52/749753952.db2.gz LSRVINHGDYTNCD-UHFFFAOYSA-N 1 0 359.220 2.724 20 5 FFBDRO C[N@@H+]1CC[C@]2(C1)CCCN(CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C2 ZINC000852108581 749775630 /nfs/dbraw/zinc/77/56/30/749775630.db2.gz HWDPOVFDDCQFAR-KRWDZBQOSA-N 1 0 366.849 2.604 20 5 FFBDRO CC(C)(C)OC(=O)C1(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000853127523 750013324 /nfs/dbraw/zinc/01/33/24/750013324.db2.gz XCPDUWQRQXQPRS-OAHLLOKOSA-N 1 0 350.415 2.730 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)c1F ZINC000854427597 750306125 /nfs/dbraw/zinc/30/61/25/750306125.db2.gz ROBHRBXRJVFIBA-NEPJUHHUSA-N 1 0 353.369 2.880 20 5 FFBDRO COc1ccc([C@@H]([NH2+]C(C)C)C(=O)NCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000895798643 970965776 /nfs/dbraw/zinc/96/57/76/970965776.db2.gz IUFGBJKPBBKVRG-GOSISDBHSA-N 1 0 357.410 2.959 20 5 FFBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N2Cc3ccccc3C3(CC[NH2+]CC3)C2)n1 ZINC001167160621 960335785 /nfs/dbraw/zinc/33/57/85/960335785.db2.gz UJOOULIOEPBDIR-UHFFFAOYSA-N 1 0 373.844 2.988 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(N2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)nc1Cl ZINC001167205521 960399849 /nfs/dbraw/zinc/39/98/49/960399849.db2.gz KDRZSINVEFXYCN-KDOFPFPSSA-N 1 0 358.829 2.929 20 5 FFBDRO O=C(C[N@@H+]1CCC[C@H](OC2CCC2)CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000872280819 1013197725 /nfs/dbraw/zinc/19/77/25/1013197725.db2.gz VJUSRDFJSNGZEI-SFHVURJKSA-N 1 0 373.453 2.908 20 5 FFBDRO CN(CCC[NH2+]Cc1cc(Cl)ccc1Cl)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001276000884 1013269961 /nfs/dbraw/zinc/26/99/61/1013269961.db2.gz BARXPRWQJYBTMA-TZMCWYRMSA-N 1 0 360.241 2.597 20 5 FFBDRO Cc1ccc2ccccc2c1C[NH2+]CCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001276001919 1013270760 /nfs/dbraw/zinc/27/07/60/1013270760.db2.gz MHDFIZBFEKWERM-IEBWSBKVSA-N 1 0 355.438 2.752 20 5 FFBDRO Cc1c(C[NH2+]CC[C@](O)(c2nccn2C)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000873020269 1013351042 /nfs/dbraw/zinc/35/10/42/1013351042.db2.gz MATQNQHENUUVJC-HNNXBMFYSA-N 1 0 372.347 2.567 20 5 FFBDRO CC(C)[NH+](CCNC(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1)C(C)C ZINC000891510080 964402462 /nfs/dbraw/zinc/40/24/62/964402462.db2.gz VHOSIYDLLPTCKT-UHFFFAOYSA-N 1 0 373.457 2.688 20 5 FFBDRO CC[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@@H]1CCCOC1 ZINC001175661720 1013530812 /nfs/dbraw/zinc/53/08/12/1013530812.db2.gz RXINIYNPAHLXGE-UKRRQHHQSA-N 1 0 365.430 2.727 20 5 FFBDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000825688471 1013601435 /nfs/dbraw/zinc/60/14/35/1013601435.db2.gz LNCSSAIEINLCCK-KDOFPFPSSA-N 1 0 371.437 2.874 20 5 FFBDRO O=[N+]([O-])c1ccc2ccnc(N3CC[NH+](CCc4ccncc4)CC3)c2c1 ZINC000894844298 965886750 /nfs/dbraw/zinc/88/67/50/965886750.db2.gz ZHQDHGDZRATWQQ-UHFFFAOYSA-N 1 0 363.421 2.903 20 5 FFBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[N@H+](C2CCCC2)[C@H](C)C1 ZINC001176155001 1013647525 /nfs/dbraw/zinc/64/75/25/1013647525.db2.gz TVZBNJJDKFURJY-HUUCEWRRSA-N 1 0 360.458 2.871 20 5 FFBDRO COc1cc([N+](=O)[O-])cnc1NCC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000892413997 968392431 /nfs/dbraw/zinc/39/24/31/968392431.db2.gz OJZVQWBCTTVIIN-UHFFFAOYSA-N 1 0 364.446 2.834 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180417489 969629578 /nfs/dbraw/zinc/62/95/78/969629578.db2.gz LADGSIVXLQTJQY-LLVKDONJSA-N 1 0 374.353 2.801 20 5 FFBDRO C[C@@H]1[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N)CC[N@@H+]1Cc1ccccc1 ZINC000311652736 970097808 /nfs/dbraw/zinc/09/78/08/970097808.db2.gz UNZVYTPBQZCPSV-FZKQIMNGSA-N 1 0 354.410 2.570 20 5 FFBDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000825764731 1013968170 /nfs/dbraw/zinc/96/81/70/1013968170.db2.gz MLPLVEUZPHUBGK-BETUJISGSA-N 1 0 366.437 2.793 20 5 FFBDRO Cn1c2ccccc2c(N2CC[C@H](C3CC[NH+](C)CC3)C2)c([N+](=O)[O-])c1=O ZINC000892983232 970468811 /nfs/dbraw/zinc/46/88/11/970468811.db2.gz GZBHEQCKVSWGGZ-HNNXBMFYSA-N 1 0 370.453 2.615 20 5 FFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000875745067 1014070725 /nfs/dbraw/zinc/07/07/25/1014070725.db2.gz HRXTUZHZPANRSR-DLBZAZTESA-N 1 0 371.441 2.565 20 5 FFBDRO C[C@@H]1CN(C(=O)c2cc(F)c(F)cc2[N+](=O)[O-])CCN1c1cc[nH+]cc1 ZINC000893448049 974075222 /nfs/dbraw/zinc/07/52/22/974075222.db2.gz QCEPOWGFGHHAIJ-LLVKDONJSA-N 1 0 362.336 2.619 20 5 FFBDRO O=C1CCCN1[C@H]1CCCN(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000111169980 975626159 /nfs/dbraw/zinc/62/61/59/975626159.db2.gz HMYQJGHGMLZDPI-SFHVURJKSA-N 1 0 369.425 2.503 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)n1 ZINC001126869301 976428801 /nfs/dbraw/zinc/42/88/01/976428801.db2.gz PZRXFPYNLMXDDI-OAHLLOKOSA-N 1 0 356.426 2.939 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC1CC[NH+](C2CCOCC2)CC1 ZINC000898640077 976584876 /nfs/dbraw/zinc/58/48/76/976584876.db2.gz GZRHEPAPVBEMKF-UHFFFAOYSA-N 1 0 361.442 2.585 20 5 FFBDRO Cc1nc(C2CC[NH2+]CC2)sc1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000876680121 1014348105 /nfs/dbraw/zinc/34/81/05/1014348105.db2.gz AGZICTFTIPYDEF-UHFFFAOYSA-N 1 0 374.466 2.799 20 5 FFBDRO Cc1cc(C)cc(C[N@@H+]2C[C@@]3(C)CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C[C@@]3(C)C2)c1 ZINC000982279001 977376062 /nfs/dbraw/zinc/37/60/62/977376062.db2.gz XBUNHCBLJLGCKT-UKAVVXHISA-N 1 0 371.481 2.639 20 5 FFBDRO Cc1nc2ccccc2n1CCC[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000876892602 1014410445 /nfs/dbraw/zinc/41/04/45/1014410445.db2.gz CWYYAWJUXKSAIM-UHFFFAOYSA-N 1 0 354.414 2.833 20 5 FFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@H](O)c3ccc4ccccc4c3)C2)c1 ZINC000877008151 1014446533 /nfs/dbraw/zinc/44/65/33/1014446533.db2.gz LYLGZUBARXULQS-TVPLGVNVSA-N 1 0 352.394 2.971 20 5 FFBDRO Cc1ccccc1[C@@H](O)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000877026934 1014455048 /nfs/dbraw/zinc/45/50/48/1014455048.db2.gz IZIZJKWHBGFUCI-SFHVURJKSA-N 1 0 356.426 2.590 20 5 FFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@H]3CCCN3Cc3ccccc3)C2)c1 ZINC000877046278 1014460379 /nfs/dbraw/zinc/46/03/79/1014460379.db2.gz KTRGXVPCRWBTJN-LXPRWKDFSA-N 1 0 355.442 2.749 20 5 FFBDRO Cc1ccc(N2CCC[C@H]([NH2+]C3CC(n4cc([N+](=O)[O-])cn4)C3)C2=O)cc1 ZINC000877064446 1014466022 /nfs/dbraw/zinc/46/60/22/1014466022.db2.gz QVXOYGQYQWMNNI-PVARCSIZSA-N 1 0 369.425 2.588 20 5 FFBDRO Cc1ccn(-c2ccccc2C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)n1 ZINC000877088639 1014473548 /nfs/dbraw/zinc/47/35/48/1014473548.db2.gz BMUOEMHHYVJYCL-UHFFFAOYSA-N 1 0 352.398 2.779 20 5 FFBDRO CC(C)(CO)[C@H](C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000877116809 1014478691 /nfs/dbraw/zinc/47/86/91/1014478691.db2.gz WQGPAXKSPVTJOF-LEOMRAHMSA-N 1 0 358.442 2.887 20 5 FFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CCOc3cccc(C(F)(F)F)n3)C2)c1 ZINC000877130084 1014481839 /nfs/dbraw/zinc/48/18/39/1014481839.db2.gz SXUACUIOQGFYLE-UHFFFAOYSA-N 1 0 371.319 2.577 20 5 FFBDRO CCC1([NH+]2CCCC2)CCN(C(=O)[C@@](C)(N)c2cccc([N+](=O)[O-])c2)CC1 ZINC000877147779 1014489240 /nfs/dbraw/zinc/48/92/40/1014489240.db2.gz MYQBZXRCHQUEBO-IBGZPJMESA-N 1 0 374.485 2.636 20 5 FFBDRO CC(C)n1cc(C2=CCC[N@@H+](C3CC(n4cc([N+](=O)[O-])cn4)C3)CC2)nn1 ZINC000877565415 1014629612 /nfs/dbraw/zinc/62/96/12/1014629612.db2.gz YOBXTRPYHXOXKN-UHFFFAOYSA-N 1 0 371.445 2.847 20 5 FFBDRO C[N@@H+](Cc1ccc2c(c1)CCC2)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001029964765 980156482 /nfs/dbraw/zinc/15/64/82/980156482.db2.gz YHPFDYJDGISEHH-WOJBJXKFSA-N 1 0 371.481 2.511 20 5 FFBDRO COc1cccc(CNC(=O)[C@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000905851937 980531724 /nfs/dbraw/zinc/53/17/24/980531724.db2.gz DMOSODTWEPRHCU-KGLIPLIRSA-N 1 0 357.410 2.959 20 5 FFBDRO CC(C)[NH+]1CCC(N(C)Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000878034227 1014824630 /nfs/dbraw/zinc/82/46/30/1014824630.db2.gz LFACQWCYHMJVQM-UHFFFAOYSA-N 1 0 359.430 2.949 20 5 FFBDRO Cn1ccnc1[C@@H](NCC[N@@H+]1CCC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000898035090 982599637 /nfs/dbraw/zinc/59/96/37/982599637.db2.gz KPPDMGAVSNNLQS-KRWDZBQOSA-N 1 0 357.458 2.739 20 5 FFBDRO O=C(CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000130381888 982611098 /nfs/dbraw/zinc/61/10/98/982611098.db2.gz DKACCRIUQOPONQ-OALUTQOASA-N 1 0 373.453 2.729 20 5 FFBDRO Nc1ccc(C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000030231921 982706550 /nfs/dbraw/zinc/70/65/50/982706550.db2.gz QCGRKWLUWXEPEF-QGZVFWFLSA-N 1 0 354.410 2.744 20 5 FFBDRO C[N@@H+]1C[C@@]2(C)CN(C(=O)c3ccc([N+](=O)[O-])c4cccnc34)C[C@@]2(C)C1 ZINC000913284759 984231644 /nfs/dbraw/zinc/23/16/44/984231644.db2.gz QGGYJYHBXADFCZ-KDURUIRLSA-N 1 0 354.410 2.557 20 5 FFBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000044582735 984325162 /nfs/dbraw/zinc/32/51/62/984325162.db2.gz OHNNGSYPGCHOQJ-BETUJISGSA-N 1 0 364.402 2.601 20 5 FFBDRO Cc1c(C(=O)N2CCCC[C@@H]2C[NH+](C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000826047780 1015089223 /nfs/dbraw/zinc/08/92/23/1015089223.db2.gz BGINFPUZRWEOGV-CYBMUJFWSA-N 1 0 364.402 2.676 20 5 FFBDRO CNc1c(C(=O)N(C)c2ccc(OCC[NH+](C)C)cc2)cccc1[N+](=O)[O-] ZINC000765515507 985157732 /nfs/dbraw/zinc/15/77/32/985157732.db2.gz OSXMVEQKFCUTAW-UHFFFAOYSA-N 1 0 372.425 2.854 20 5 FFBDRO C[NH+]1CCN(c2ccc(NC(=O)Cc3cccc([N+](=O)[O-])c3)cc2)CC1 ZINC000152688649 987420375 /nfs/dbraw/zinc/42/03/75/987420375.db2.gz CGTAIDNWIFUKPB-UHFFFAOYSA-N 1 0 354.410 2.528 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC000152687450 987420747 /nfs/dbraw/zinc/42/07/47/987420747.db2.gz SINNCPOIMIHUQR-UHFFFAOYSA-N 1 0 354.410 2.907 20 5 FFBDRO CCc1cccc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])CC[C@@H]3C2)c1 ZINC000946589281 988763446 /nfs/dbraw/zinc/76/34/46/988763446.db2.gz PSXWXOLWKKIFBA-IYWMVGAKSA-N 1 0 371.481 2.585 20 5 FFBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)CC1 ZINC000153891270 989759155 /nfs/dbraw/zinc/75/91/55/989759155.db2.gz WNXFVUNGRXXMHZ-GJZGRUSLSA-N 1 0 360.458 2.654 20 5 FFBDRO CC(C)(C)C(=O)NC[C@@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000154264337 990110832 /nfs/dbraw/zinc/11/08/32/990110832.db2.gz GBAXXMSLKISJGD-YOEHRIQHSA-N 1 0 363.458 2.503 20 5 FFBDRO CCCc1ccc(C[NH+]2CC3(C2)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC3)cc1 ZINC001035704761 990528290 /nfs/dbraw/zinc/52/82/90/990528290.db2.gz WWVXRGOXPDPTIQ-RTBURBONSA-N 1 0 371.481 2.729 20 5 FFBDRO CC(C)c1ccccc1C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC2 ZINC001035706728 990529903 /nfs/dbraw/zinc/52/99/03/990529903.db2.gz KCHDHWDXEAHCQW-RTBURBONSA-N 1 0 371.481 2.900 20 5 FFBDRO CCOC(=O)CC[C@H]1CCC[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000154878340 990556700 /nfs/dbraw/zinc/55/67/00/990556700.db2.gz YZXWYMAICBDBPG-CQSZACIVSA-N 1 0 360.414 2.957 20 5 FFBDRO Cc1noc(COC(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000923851167 990841855 /nfs/dbraw/zinc/84/18/55/990841855.db2.gz QJWGWUGKVSQISP-WFASDCNBSA-N 1 0 359.382 2.703 20 5 FFBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879575104 1015592859 /nfs/dbraw/zinc/59/28/59/1015592859.db2.gz GONKOHABASDEKG-XNRPHZJLSA-N 1 0 357.414 2.732 20 5 FFBDRO COc1cc2c(cc1OC)[C@@H](C)N(CCn1c(C)ncc1[N+](=O)[O-])CC2 ZINC000880088084 1015752382 /nfs/dbraw/zinc/75/23/82/1015752382.db2.gz IVRSSVBILJBKOO-GFCCVEGCSA-N 1 0 360.414 2.736 20 5 FFBDRO COc1cc(OC)c(OC)cc1CN(CC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000809734473 994585307 /nfs/dbraw/zinc/58/53/07/994585307.db2.gz HIYFVRVRNTXPQH-UHFFFAOYSA-N 1 0 361.398 2.586 20 5 FFBDRO Cc1c(C(=O)OCCC[NH+]2CCCCC2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000747758732 995318291 /nfs/dbraw/zinc/31/82/91/995318291.db2.gz PGUBQVRNFXDJKT-UHFFFAOYSA-N 1 0 373.413 2.517 20 5 FFBDRO O=C(OCCC[NH+]1CCCCC1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000747759325 995318795 /nfs/dbraw/zinc/31/87/95/995318795.db2.gz CIYSWNGCJPXOQB-UHFFFAOYSA-N 1 0 358.398 2.813 20 5 FFBDRO CCOc1cc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000888833181 1015959175 /nfs/dbraw/zinc/95/91/75/1015959175.db2.gz XXKCOZICDDGXQF-ZFWWWQNUSA-N 1 0 362.430 2.942 20 5 FFBDRO CCOC(=O)CCC1CC[NH+](Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000747833715 995602045 /nfs/dbraw/zinc/60/20/45/995602045.db2.gz YDORUKNKMIKCKZ-UHFFFAOYSA-N 1 0 360.414 2.957 20 5 FFBDRO CC1CC[NH+](C2CCC(NC(=O)c3ccc(N)c([N+](=O)[O-])c3)CC2)CC1 ZINC000128683433 1016029330 /nfs/dbraw/zinc/02/93/30/1016029330.db2.gz VZGXHMNMKHCWGL-UHFFFAOYSA-N 1 0 360.458 2.950 20 5 FFBDRO CCc1ccc([C@H](CNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)[NH+](C)C)cc1 ZINC000823984565 996772228 /nfs/dbraw/zinc/77/22/28/996772228.db2.gz LKDFGDOSQNRXAB-RBUKOAKNSA-N 1 0 371.437 2.610 20 5 FFBDRO COC(=O)c1ncc([N+](=O)[O-])cc1-n1c2ccccc2c2c1C[C@@H]([NH3+])CC2 ZINC001171099171 997632122 /nfs/dbraw/zinc/63/21/22/997632122.db2.gz KZHIFQVRRLPNSR-NSHDSACASA-N 1 0 366.377 2.536 20 5 FFBDRO COc1cc(CN2CCC[C@@H]3CC[C@]32C[NH3+])c([N+](=O)[O-])cc1OC(F)F ZINC000903796580 1016204953 /nfs/dbraw/zinc/20/49/53/1016204953.db2.gz ALNUWHPJTLXLSV-PXAZEXFGSA-N 1 0 371.384 2.908 20 5 FFBDRO CC[N@H+](CCNC(=O)c1cccc(Cn2nc([N+](=O)[O-])cc2C)c1)C(C)C ZINC000845509046 998569608 /nfs/dbraw/zinc/56/96/08/998569608.db2.gz AGWZSGZIVFAKAZ-UHFFFAOYSA-N 1 0 373.457 2.608 20 5 FFBDRO Cc1ccccc1C[NH+]1CCC(C2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1 ZINC001000150651 1016244947 /nfs/dbraw/zinc/24/49/47/1016244947.db2.gz SEXSEEBSJPHAAP-QZTJIDSGSA-N 1 0 357.454 2.521 20 5 FFBDRO CCc1ccc(C[NH+]2CCC(C3(NC(=O)[C@@H]4C[C@H]4[N+](=O)[O-])CC3)CC2)cc1 ZINC001000148603 1016245256 /nfs/dbraw/zinc/24/52/56/1016245256.db2.gz GYIZVOHHBULRTJ-RTBURBONSA-N 1 0 371.481 2.775 20 5 FFBDRO CC(C)[C@H](C[NH+](C)C)NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000733168301 998905060 /nfs/dbraw/zinc/90/50/60/998905060.db2.gz SREUDDYHOBAJSM-SFHVURJKSA-N 1 0 365.477 2.857 20 5 FFBDRO C[C@@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000823678277 999069172 /nfs/dbraw/zinc/06/91/72/999069172.db2.gz DSXLEZNGICDSJV-JSGCOSHPSA-N 1 0 363.414 2.516 20 5 FFBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2F)[C@@H](C)C1 ZINC000734401465 999284364 /nfs/dbraw/zinc/28/43/64/999284364.db2.gz HKJJHSHNKWYUTF-GUYCJALGSA-N 1 0 367.421 2.601 20 5 FFBDRO CCOCCC[N@@H+]1CC[C@H](Nc2nc3ccccn3c2[N+](=O)[O-])[C@@H](C)C1 ZINC000734483325 999295141 /nfs/dbraw/zinc/29/51/41/999295141.db2.gz YSZLMUOOXCPPMD-GJZGRUSLSA-N 1 0 361.446 2.791 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2cnn(CN3CCC[C@@H]3C[NH+]3CCCC3)c2)cc1 ZINC000738106208 999617694 /nfs/dbraw/zinc/61/76/94/999617694.db2.gz WKWKNPJXOCYODV-LJQANCHMSA-N 1 0 355.442 2.976 20 5 FFBDRO COc1ccc([C@H]2[C@H](COC(=O)c3ccc([N+](=O)[O-])n3C)CC[N@@H+]2C)cc1 ZINC000741120413 999709673 /nfs/dbraw/zinc/70/96/73/999709673.db2.gz GDBLFSODIDKNKH-KSSFIOAISA-N 1 0 373.409 2.792 20 5 FFBDRO O=C(NC[C@H]1C[C@@H]([NH2+]CCc2ccc3ccccc3c2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001086084245 999754934 /nfs/dbraw/zinc/75/49/34/999754934.db2.gz JFABKQRCCBNMOA-XWPNQZOQSA-N 1 0 367.449 2.532 20 5 FFBDRO C[C@@H]1CCC[C@H](C)[N@H+](CN2C(=O)N[C@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000742155138 999762331 /nfs/dbraw/zinc/76/23/31/999762331.db2.gz PNTNHTMIXHSZSG-BIENJYKASA-N 1 0 374.441 2.830 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ncn(CN3CCC(OCC4CC4)CC3)n2)cc1 ZINC000743406269 999818330 /nfs/dbraw/zinc/81/83/30/999818330.db2.gz IHNLICXZBCABOW-UHFFFAOYSA-N 1 0 357.414 2.702 20 5 FFBDRO CC[C@@H](C(=O)O[C@H](C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1)[NH+](CC)CC ZINC000745091680 999891930 /nfs/dbraw/zinc/89/19/30/999891930.db2.gz CZADWPUFPLIXLB-RISCZKNCSA-N 1 0 369.393 2.725 20 5 FFBDRO [NH3+]Cc1cccc(-c2nnn(-c3nc(-c4ccccc4)ccc3[N+](=O)[O-])n2)c1 ZINC001168878413 1000005679 /nfs/dbraw/zinc/00/56/79/1000005679.db2.gz UCDMENFZULMQBM-UHFFFAOYSA-N 1 0 373.376 2.758 20 5 FFBDRO CC(C)(C)c1ccc(-n2nnc(-c3cccc(C[NH3+])c3)n2)c([N+](=O)[O-])c1 ZINC001168884236 1000006755 /nfs/dbraw/zinc/00/67/55/1000006755.db2.gz GQPHTQUDZOCECA-UHFFFAOYSA-N 1 0 352.398 2.994 20 5 FFBDRO CC(C)(C)OC(=O)N1CCC2(C[C@@H]2[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168961718 1000013113 /nfs/dbraw/zinc/01/31/13/1000013113.db2.gz JZTWOWCBERFFJN-KFWWJZLASA-N 1 0 353.463 2.811 20 5 FFBDRO CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C[NH2+][C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC[C@@H]2C1 ZINC001168965015 1000013240 /nfs/dbraw/zinc/01/32/40/1000013240.db2.gz XHSLQULTXSRVMA-ZHCJQAHYSA-N 1 0 367.490 2.915 20 5 FFBDRO CC(C)(C)OC(=O)N1CCC2(CC[N@@H+]2[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169011908 1000015650 /nfs/dbraw/zinc/01/56/50/1000015650.db2.gz NHCSVVAZHMBHEO-HUUCEWRRSA-N 1 0 353.463 2.907 20 5 FFBDRO Cc1ccc(N2C[C@]3(CC[N@@H+]([C@@H]4CC[C@@H](C[N+](=O)[O-])C4)C3)CC2=O)cc1 ZINC001169030282 1000016078 /nfs/dbraw/zinc/01/60/78/1000016078.db2.gz XWLBPDBIYOJUJE-YVWKXTFCSA-N 1 0 357.454 2.869 20 5 FFBDRO Cc1cc(N2CC[NH+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)n(-c2ccccc2)n1 ZINC001169038886 1000016912 /nfs/dbraw/zinc/01/69/12/1000016912.db2.gz LDMRZRZCQYGNNW-MJGOQNOKSA-N 1 0 369.469 2.748 20 5 FFBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2CCCC3(CCN(c4ncccn4)CC3)C2)C1 ZINC001169022266 1000017879 /nfs/dbraw/zinc/01/78/79/1000017879.db2.gz RLRKVYGVOWXDKG-DLBZAZTESA-N 1 0 359.474 2.604 20 5 FFBDRO CC(C)(C)OC(=O)N[C@@H]1C[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CCC1(F)F ZINC001169046380 1000018388 /nfs/dbraw/zinc/01/83/88/1000018388.db2.gz LNWLJXXPSAKAPE-RWMBFGLXSA-N 1 0 363.405 2.666 20 5 FFBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCC[C@@H](Oc3cc(C(F)(F)F)ncn3)C2)C1 ZINC001169053586 1000018902 /nfs/dbraw/zinc/01/89/02/1000018902.db2.gz JCZJIHQAQVXYIL-FRRDWIJNSA-N 1 0 374.363 2.784 20 5 FFBDRO CN(CC(=O)O[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000772661170 1001439737 /nfs/dbraw/zinc/43/97/37/1001439737.db2.gz TVIWPVZLARWRHU-QGZVFWFLSA-N 1 0 369.421 2.849 20 5 FFBDRO Cc1ccccc1[C@H]([C@H](C)NC(=O)c1ccc(N)c([N+](=O)[O-])c1)[NH+](C)C ZINC000785859370 1001497514 /nfs/dbraw/zinc/49/75/14/1001497514.db2.gz VIBAJXTUGATKQG-UGSOOPFHSA-N 1 0 356.426 2.907 20 5 FFBDRO CC[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N)[N@@H+]1CCc2ccccc2C1 ZINC000786761385 1001623619 /nfs/dbraw/zinc/62/36/19/1001623619.db2.gz PEZBIBJRCIHGMG-INIZCTEOSA-N 1 0 368.437 2.744 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@@H]3COC4(CCCC4)O3)CC2)cc1 ZINC000774478613 1001924996 /nfs/dbraw/zinc/92/49/96/1001924996.db2.gz MYIUPUPUWOWWCU-GOSISDBHSA-N 1 0 361.442 2.839 20 5 FFBDRO CN(CCC[N@H+](C)Cc1ccc2ccccc2c1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001273507735 1003021676 /nfs/dbraw/zinc/02/16/76/1003021676.db2.gz LERDUTFEKYKAPF-RTBURBONSA-N 1 0 355.438 2.785 20 5 FFBDRO COc1ccc(C[C@@H](C)[NH2+][C@H]2CCc3[nH]c(=O)ccc3C2)c([N+](=O)[O-])c1 ZINC001170295171 1003088205 /nfs/dbraw/zinc/08/82/05/1003088205.db2.gz AGDYPQCTBGKIHR-DOMZBBRYSA-N 1 0 357.410 2.782 20 5 FFBDRO COc1ccc(C[C@H](C)[NH2+]CCNC(=O)OC(C)(C)C)c([N+](=O)[O-])c1 ZINC001170298981 1003091577 /nfs/dbraw/zinc/09/15/77/1003091577.db2.gz OXPBMQAEDFUDSN-LBPRGKRZSA-N 1 0 353.419 2.649 20 5 FFBDRO COc1ccc(C[C@@H](C)[NH2+]C[C@]2(O)CCOc3ccccc32)c([N+](=O)[O-])c1 ZINC001170304456 1003092569 /nfs/dbraw/zinc/09/25/69/1003092569.db2.gz BZZHOLWBYTURMN-JLTOFOAXSA-N 1 0 372.421 2.794 20 5 FFBDRO COc1ccc(C[C@H](C)[NH2+]Cc2c(=O)[nH]c(C)cc2OC)c([N+](=O)[O-])c1 ZINC001170323403 1003112219 /nfs/dbraw/zinc/11/22/19/1003112219.db2.gz JMODNEQSVVZUBV-NSHDSACASA-N 1 0 361.398 2.742 20 5 FFBDRO COCC1(C[NH2+][C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CCOCC1 ZINC001170326582 1003113544 /nfs/dbraw/zinc/11/35/44/1003113544.db2.gz NFPABSPHAFBFDT-AWEZNQCLSA-N 1 0 352.431 2.567 20 5 FFBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2ccc3c(c2)NC(=O)CO3)c([N+](=O)[O-])c1 ZINC001170326401 1003113679 /nfs/dbraw/zinc/11/36/79/1003113679.db2.gz JBNVBRGDEFSHLP-GFCCVEGCSA-N 1 0 371.393 2.655 20 5 FFBDRO COc1ccc(C[C@H](C)N2Cc3ccccc3C[C@@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC001170328801 1003114379 /nfs/dbraw/zinc/11/43/79/1003114379.db2.gz VIJZGZJCIFSUPD-KBXCAEBGSA-N 1 0 355.438 2.920 20 5 FFBDRO COc1ccc(C[C@@H](C)N2Cc3ccccc3C[C@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC001170328802 1003115075 /nfs/dbraw/zinc/11/50/75/1003115075.db2.gz VIJZGZJCIFSUPD-KDOFPFPSSA-N 1 0 355.438 2.920 20 5 FFBDRO COc1ccc(C[C@H](C)[NH2+]Cc2ccc3c(c2)C(=O)NC3)c([N+](=O)[O-])c1 ZINC001170306589 1003119658 /nfs/dbraw/zinc/11/96/58/1003119658.db2.gz YEKJFJMMQJLYAI-LBPRGKRZSA-N 1 0 355.394 2.568 20 5 FFBDRO COC(=O)CC[C@H]1CC[N@@H+]([C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170352801 1003121384 /nfs/dbraw/zinc/12/13/84/1003121384.db2.gz QQPBAYFSRSSACT-KBPBESRZSA-N 1 0 350.415 2.810 20 5 FFBDRO COc1ccc(C[C@@H](C)[N@@H+]2CC[C@@H](Oc3nccc(C)n3)C2)c([N+](=O)[O-])c1 ZINC001170356058 1003122699 /nfs/dbraw/zinc/12/26/99/1003122699.db2.gz VIMLCEKHFNDGGJ-RHSMWYFYSA-N 1 0 372.425 2.786 20 5 FFBDRO COc1ccc(C[C@H](C)[N@@H+]2CC[C@H](Oc3ncncc3C)C2)c([N+](=O)[O-])c1 ZINC001170355009 1003123169 /nfs/dbraw/zinc/12/31/69/1003123169.db2.gz UIAJYXLOWWALAS-YOEHRIQHSA-N 1 0 372.425 2.786 20 5 FFBDRO COc1ccc(C[C@@H](C)[N@@H+]2CC3CC2(C(=O)N2CCCC2)C3)c([N+](=O)[O-])c1 ZINC001170338475 1003128263 /nfs/dbraw/zinc/12/82/63/1003128263.db2.gz BIVTYXOTNTVSFF-ZUIJCZDSSA-N 1 0 373.453 2.621 20 5 FFBDRO COc1ccc(C[C@@H](C)[N@@H+]2CCC[C@@H](NC(=O)C(C)C)C2)c([N+](=O)[O-])c1 ZINC001170351481 1003137422 /nfs/dbraw/zinc/13/74/22/1003137422.db2.gz CRLZADSEBUXOJH-GDBMZVCRSA-N 1 0 363.458 2.771 20 5 FFBDRO O=[N+]([O-])c1cccc([N+](=O)[O-])c1NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000804560094 1003726098 /nfs/dbraw/zinc/72/60/98/1003726098.db2.gz RLDUZHSRVRJQFQ-CZUORRHYSA-N 1 0 364.402 2.683 20 5 FFBDRO Cc1ccccc1C[NH2+]Cc1ccc(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c(F)c1 ZINC001001522944 1016828782 /nfs/dbraw/zinc/82/87/82/1016828782.db2.gz KSABPKVKALAVSE-IEBWSBKVSA-N 1 0 371.412 2.705 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c1C ZINC001191896782 1003993544 /nfs/dbraw/zinc/99/35/44/1003993544.db2.gz SPBXFBYRGGMJNH-CVEARBPZSA-N 1 0 367.471 2.507 20 5 FFBDRO Cc1ccccc1NC(=O)CC[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001196909370 1004011103 /nfs/dbraw/zinc/01/11/03/1004011103.db2.gz VRCPZHWBKJLKGZ-IBGZPJMESA-N 1 0 357.410 2.729 20 5 FFBDRO COc1ccc([C@@H]2CN(Cc3cc([N+](=O)[O-])ccc3OC)CC[NH2+]2)cc1 ZINC001197050478 1004047259 /nfs/dbraw/zinc/04/72/59/1004047259.db2.gz BUAOCUBREVTEBO-SFHVURJKSA-N 1 0 357.410 2.759 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)CCc2ccc3c(c2)OCO3)c1 ZINC001197836914 1004375830 /nfs/dbraw/zinc/37/58/30/1004375830.db2.gz HQDRIJHTFYIDGB-UHFFFAOYSA-N 1 0 372.377 2.785 20 5 FFBDRO Cc1ccc([C@@H](CNC(=O)c2cc(C)cc([N+](=O)[O-])c2N)[NH+]2CCCC2)o1 ZINC000104151385 1004436060 /nfs/dbraw/zinc/43/60/60/1004436060.db2.gz XVNJYPVHMLJNGH-MRXNPFEDSA-N 1 0 372.425 2.954 20 5 FFBDRO CC[N@H+](C)Cc1cccc(CNC(=O)c2cc(C)cc([N+](=O)[O-])c2N)c1 ZINC000104148041 1004436298 /nfs/dbraw/zinc/43/62/98/1004436298.db2.gz OGRLEBAXQVALJN-UHFFFAOYSA-N 1 0 356.426 2.867 20 5 FFBDRO CCN(CCC[NH+]1CCCC1)C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000807369519 1004575562 /nfs/dbraw/zinc/57/55/62/1004575562.db2.gz XJQUDJPMJKHLBU-UHFFFAOYSA-N 1 0 364.402 2.759 20 5 FFBDRO C[C@H]1CCC[N@@H+]1CCNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC001198583693 1004683508 /nfs/dbraw/zinc/68/35/08/1004683508.db2.gz FJNOTRUTWZAGGD-JTQLQIEISA-N 1 0 358.345 2.802 20 5 FFBDRO CCN(Cc1cn(C)nc1[N+](=O)[O-])[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001198862809 1004757895 /nfs/dbraw/zinc/75/78/95/1004757895.db2.gz LSNHTYNCAZNFSS-AWEZNQCLSA-N 1 0 367.450 2.550 20 5 FFBDRO C[C@H]1C[C@@H](O)CN(Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC001195195675 1004914521 /nfs/dbraw/zinc/91/45/21/1004914521.db2.gz FIFNVLIKORNLEL-GXSJLCMTSA-N 1 0 352.778 2.501 20 5 FFBDRO Cc1ccccc1C[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001050245080 1016929990 /nfs/dbraw/zinc/92/99/90/1016929990.db2.gz ZBYMHLUTSGRIIV-WOJBJXKFSA-N 1 0 367.449 2.908 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCCN2CCc3ccccc3C2)cc1 ZINC000776277104 1005337353 /nfs/dbraw/zinc/33/73/53/1005337353.db2.gz NRNHFKJVVDFODY-FQEVSTJZSA-N 1 0 355.438 2.666 20 5 FFBDRO CC[C@@H](C)NC(=O)c1cccc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000776276620 1005342609 /nfs/dbraw/zinc/34/26/09/1005342609.db2.gz LDNHSPSLJXXJAL-KUHUBIRLSA-N 1 0 371.437 2.946 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]Cc2ccc(Cn3cccn3)cc2)cc1 ZINC000776280427 1005346164 /nfs/dbraw/zinc/34/61/64/1005346164.db2.gz ZRZGMEMUVNFRKK-LJQANCHMSA-N 1 0 352.394 2.663 20 5 FFBDRO C[C@@H]([C@H](OC(=O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1)[NH+]1CCCC1 ZINC000851132950 1005863154 /nfs/dbraw/zinc/86/31/54/1005863154.db2.gz MHMCLCUDKUVGBD-KSSFIOAISA-N 1 0 358.398 2.560 20 5 FFBDRO COc1ccc(CC(=O)OC[C@H]2CC[N@@H+]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000851467249 1005889608 /nfs/dbraw/zinc/88/96/08/1005889608.db2.gz SFLPNNNKULZKBK-QGZVFWFLSA-N 1 0 370.405 2.964 20 5 FFBDRO Cc1cc(F)cc(C(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)c1[N+](=O)[O-] ZINC000851645371 1005902798 /nfs/dbraw/zinc/90/27/98/1005902798.db2.gz IVGIAMHNOXSEDE-INIZCTEOSA-N 1 0 359.357 2.956 20 5 FFBDRO O=C(c1ccc(O)cc1)C1CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776586251 1005955722 /nfs/dbraw/zinc/95/57/22/1005955722.db2.gz LUCMRUKODVTDCX-LJQANCHMSA-N 1 0 370.405 2.929 20 5 FFBDRO CC(C)(C)OC(=O)NC1CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776586542 1005983099 /nfs/dbraw/zinc/98/30/99/1005983099.db2.gz GAUNCJIRJGEOSR-INIZCTEOSA-N 1 0 365.430 2.617 20 5 FFBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)CC[N@@H+](C2CCC2)C1 ZINC000813630765 1006006094 /nfs/dbraw/zinc/00/60/94/1006006094.db2.gz QMLWQPYCKJGMQU-AWEZNQCLSA-N 1 0 372.469 2.798 20 5 FFBDRO Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cn1 ZINC000852562030 1006082758 /nfs/dbraw/zinc/08/27/58/1006082758.db2.gz ZKLXIIXGEVRJBP-XJKSGUPXSA-N 1 0 359.386 2.738 20 5 FFBDRO CCC1([NH+]2CCCCC2)CCN(C(=O)c2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000881625116 1006157384 /nfs/dbraw/zinc/15/73/84/1006157384.db2.gz JFIXPULXCYBBIY-UHFFFAOYSA-N 1 0 363.462 2.507 20 5 FFBDRO O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000882025885 1006284411 /nfs/dbraw/zinc/28/44/11/1006284411.db2.gz SYELEUFKYNQWSJ-OAHLLOKOSA-N 1 0 372.469 2.799 20 5 FFBDRO CC(C)(C)OC(=O)[C@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000853133314 1006307941 /nfs/dbraw/zinc/30/79/41/1006307941.db2.gz JETNSQSEMMCIAZ-SJORKVTESA-N 1 0 364.442 2.976 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)nccc2N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000882727192 1006491829 /nfs/dbraw/zinc/49/18/29/1006491829.db2.gz OPIPBOYGMPURNN-HNNXBMFYSA-N 1 0 356.426 2.880 20 5 FFBDRO CC(C)(C)OC(=O)NC(C)(C)C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000775181088 1006623303 /nfs/dbraw/zinc/62/33/03/1006623303.db2.gz PCOQOJZKKNLKGK-UHFFFAOYSA-N 1 0 363.418 2.864 20 5 FFBDRO C[C@@H]([NH2+]CC1(N2CCOCC2)CCCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815553457 1006680487 /nfs/dbraw/zinc/68/04/87/1006680487.db2.gz AUWJOOWODJRKBO-OAHLLOKOSA-N 1 0 362.474 2.863 20 5 FFBDRO C/C(=C\C(=O)N1CCC([N@H+]2CCOC[C@H]2C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000854571024 1006895926 /nfs/dbraw/zinc/89/59/26/1006895926.db2.gz SYAKQUHEVBLLGH-QJPKHSJYSA-N 1 0 373.453 2.710 20 5 FFBDRO C[C@H]1[C@H](OC(=O)CCn2cc([N+](=O)[O-])cn2)CCC[N@@H+]1Cc1ccccc1 ZINC000816468351 1007051328 /nfs/dbraw/zinc/05/13/28/1007051328.db2.gz FWSZBMFVKUVYBS-MAUKXSAKSA-N 1 0 372.425 2.778 20 5 FFBDRO CCN(C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])[C@H]1CC[N@H+](CC)C1 ZINC000855490285 1007366218 /nfs/dbraw/zinc/36/62/18/1007366218.db2.gz GAODDUFMUVFVID-LBPRGKRZSA-N 1 0 357.813 2.873 20 5 FFBDRO C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000855735828 1007532642 /nfs/dbraw/zinc/53/26/42/1007532642.db2.gz WZIOHACPAMEBSE-QGZVFWFLSA-N 1 0 368.437 2.566 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H](CC(C)C)C[NH+]1CCCC1 ZINC001190569108 1007699253 /nfs/dbraw/zinc/69/92/53/1007699253.db2.gz NTAGHSLEECDBBF-HNNXBMFYSA-N 1 0 369.487 2.692 20 5 FFBDRO CCc1noc(C[C@@]2(O)CCC[N@@H+]([C@@H](C)c3ccccc3[N+](=O)[O-])C2)n1 ZINC000856673834 1007942865 /nfs/dbraw/zinc/94/28/65/1007942865.db2.gz FDBZTELEWFVFQI-UGSOOPFHSA-N 1 0 360.414 2.671 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]Cc2ccnc(OCC(F)(F)F)c2)cc1 ZINC000818955772 1007992930 /nfs/dbraw/zinc/99/29/30/1007992930.db2.gz DCRNNPSNTMRBQJ-AWEZNQCLSA-N 1 0 371.315 2.754 20 5 FFBDRO COc1ccccc1N1CC[C@@H](C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000818990235 1008002895 /nfs/dbraw/zinc/00/28/95/1008002895.db2.gz VCBNKVPSPANYTC-KXBFYZLASA-N 1 0 371.437 2.753 20 5 FFBDRO CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819039024 1008015942 /nfs/dbraw/zinc/01/59/42/1008015942.db2.gz NYMHVXIDPBIDPC-HZPDHXFCSA-N 1 0 365.430 2.617 20 5 FFBDRO COc1ccc2[nH]cc(CC[NH2+]C[C@@H](O)c3ccc([N+](=O)[O-])cc3)c2c1 ZINC000819059940 1008021413 /nfs/dbraw/zinc/02/14/13/1008021413.db2.gz JEFIBZCSTAVJMV-LJQANCHMSA-N 1 0 355.394 2.950 20 5 FFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H]2CCN(c3ccc(F)cc3F)C2)c1 ZINC000819033935 1008027951 /nfs/dbraw/zinc/02/79/51/1008027951.db2.gz UMDXEPZIJWOQDY-KSSFIOAISA-N 1 0 363.364 2.775 20 5 FFBDRO CCN(C)c1ccccc1C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000819033670 1008028029 /nfs/dbraw/zinc/02/80/29/1008028029.db2.gz QVQDMHNKJWSQHT-QGZVFWFLSA-N 1 0 359.426 2.580 20 5 FFBDRO COc1cccc(N2CCC[C@H]([NH2+]C[C@H](O)c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000819082059 1008029849 /nfs/dbraw/zinc/02/98/49/1008029849.db2.gz PPDPKJBOQKXVLV-JXFKEZNVSA-N 1 0 371.437 2.895 20 5 FFBDRO Cn1nccc1[C@@H](O)C1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000857061969 1008048217 /nfs/dbraw/zinc/04/82/17/1008048217.db2.gz XENGAKAPHQVQQI-UTSMFGRCSA-N 1 0 356.426 2.787 20 5 FFBDRO C[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C(=O)N1c2ccccc2C[C@H]1C ZINC000819353494 1008105733 /nfs/dbraw/zinc/10/57/33/1008105733.db2.gz YJSOUQSTMKJCHD-BIENJYKASA-N 1 0 369.421 2.584 20 5 FFBDRO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1cc([N+](=O)[O-])ccc1F ZINC000821468978 1008467879 /nfs/dbraw/zinc/46/78/79/1008467879.db2.gz FXYOUAPOOSVUEW-UHFFFAOYSA-N 1 0 357.385 2.912 20 5 FFBDRO C[C@H]1C[C@@H](NC(=O)c2ccc(N)c([N+](=O)[O-])c2)C[N@@H+]1Cc1ccccc1 ZINC000137441399 1008610248 /nfs/dbraw/zinc/61/02/48/1008610248.db2.gz ACLZBQHOAQMMQK-XJKSGUPXSA-N 1 0 354.410 2.570 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH+]2CCN(c3cccc4[nH]ccc43)CC2)cc1 ZINC000859832573 1008687403 /nfs/dbraw/zinc/68/74/03/1008687403.db2.gz JSSJFFKJHQCGRN-FQEVSTJZSA-N 1 0 366.421 2.932 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@@H](O)Cc2ccccc2F)n1 ZINC000886675236 1008811876 /nfs/dbraw/zinc/81/18/76/1008811876.db2.gz YUQDTGWBAODFGO-USXIJHARSA-N 1 0 362.405 2.607 20 5 FFBDRO CCC1([NH+]2CCC2)CCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000886714362 1008841310 /nfs/dbraw/zinc/84/13/10/1008841310.db2.gz ITYYMKKFCMGQAV-GOSISDBHSA-N 1 0 372.469 2.650 20 5 FFBDRO CCC1([NH+]2CCC2)CCN(Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])CC1 ZINC000886720283 1008842669 /nfs/dbraw/zinc/84/26/69/1008842669.db2.gz YKYKHOBJITZBHH-UHFFFAOYSA-N 1 0 361.442 2.832 20 5 FFBDRO Cc1c(NC(=O)[C@@H](C)N2CCCC[C@]3(CC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000886870164 1008908547 /nfs/dbraw/zinc/90/85/47/1008908547.db2.gz RBSBYZYGIDZTKO-DNVCBOLYSA-N 1 0 360.458 2.696 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886950228 1008955839 /nfs/dbraw/zinc/95/58/39/1008955839.db2.gz HWHTYRFJAMEMMB-SFHVURJKSA-N 1 0 362.430 2.991 20 5 FFBDRO CC(C)(CCC(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1)[N+](=O)[O-] ZINC000823204674 1008966497 /nfs/dbraw/zinc/96/64/97/1008966497.db2.gz KXQSIWKSDGWXCY-UHFFFAOYSA-N 1 0 369.506 2.752 20 5 FFBDRO O=C(NCCCCCC[NH2+]CCCc1ccsc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001178464229 1008998587 /nfs/dbraw/zinc/99/85/87/1008998587.db2.gz REQTVVHAUWIVJG-HZPDHXFCSA-N 1 0 353.488 2.612 20 5 FFBDRO N[C@@H](CSCC[NH3+])c1nc(-c2ccc3ccc4cccnc4c3n2)no1 ZINC001206631157 1032372366 /nfs/dbraw/zinc/37/23/66/1032372366.db2.gz QEOVFKNPDOUQKG-ZDUSSCGKSA-N 1 0 366.450 2.525 20 5 FFBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1Cc2ccccc2OC2(CCC2)C1 ZINC000887149582 1009052119 /nfs/dbraw/zinc/05/21/19/1009052119.db2.gz BTKPWBLYOCBVRZ-UHFFFAOYSA-N 1 0 355.394 2.574 20 5 FFBDRO C[NH+](C)CCCCCOC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1 ZINC000860574034 1009069733 /nfs/dbraw/zinc/06/97/33/1009069733.db2.gz VMEDAQRKLYLQHS-UHFFFAOYSA-N 1 0 364.377 2.808 20 5 FFBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C[C@@](C)(O)c1ccccc1 ZINC000823597839 1009134686 /nfs/dbraw/zinc/13/46/86/1009134686.db2.gz CHQCAGZYBANELQ-LJQANCHMSA-N 1 0 357.410 2.763 20 5 FFBDRO NC(=O)[C@H]1CC[C@H](C[NH2+]Cc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC001178982316 1009214526 /nfs/dbraw/zinc/21/45/26/1009214526.db2.gz UUELPMQAHAVEFG-XYPYZODXSA-N 1 0 370.247 2.739 20 5 FFBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000126446325 1009229006 /nfs/dbraw/zinc/22/90/06/1009229006.db2.gz LKTWDQGBDIXHFH-QFBILLFUSA-N 1 0 372.469 2.796 20 5 FFBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000126445859 1009229076 /nfs/dbraw/zinc/22/90/76/1009229076.db2.gz LKTWDQGBDIXHFH-VQIMIIECSA-N 1 0 372.469 2.796 20 5 FFBDRO C[C@]1(NC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CC[N@H+](Cc2ccccc2)C1 ZINC000823921526 1009282991 /nfs/dbraw/zinc/28/29/91/1009282991.db2.gz WQDGNGLQPKZSML-IBGZPJMESA-N 1 0 369.425 2.963 20 5 FFBDRO Cn1cc(C[N@H+](C[C@@H]2CCOC2)C2CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000129901269 1009304096 /nfs/dbraw/zinc/30/40/96/1009304096.db2.gz SWECGYWJTCMRBB-AWEZNQCLSA-N 1 0 356.426 2.996 20 5 FFBDRO O=C(OCC12CCC[NH+](CCC1)C2)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000861360530 1009375233 /nfs/dbraw/zinc/37/52/33/1009375233.db2.gz YLVGWMNVNMGFTD-UHFFFAOYSA-N 1 0 370.409 2.813 20 5 FFBDRO C[C@@H]([NH2+][C@H]1CCc2ccccc2OC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000509517369 1009528429 /nfs/dbraw/zinc/52/84/29/1009528429.db2.gz TXJBBQWGTJZWBO-HIFRSBDPSA-N 1 0 355.394 2.905 20 5 FFBDRO CN(C)CC[N@H+](C)CCCN(C)C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000861743552 1009535322 /nfs/dbraw/zinc/53/53/22/1009535322.db2.gz OUUVVWZQUYTARH-UHFFFAOYSA-N 1 0 372.469 2.704 20 5 FFBDRO C[NH+](C)CCC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)CCO1 ZINC000862235422 1009758434 /nfs/dbraw/zinc/75/84/34/1009758434.db2.gz AEJBZXCNQSAUHS-KRWDZBQOSA-N 1 0 371.437 2.931 20 5 FFBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC000889158580 1009843312 /nfs/dbraw/zinc/84/33/12/1009843312.db2.gz OTZNPRPDFSQIRI-BLLLJJGKSA-N 1 0 356.426 2.742 20 5 FFBDRO Cc1c(C(=O)NC[C@H]2CCCC[N@@H+](C)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000862792771 1009977685 /nfs/dbraw/zinc/97/76/85/1009977685.db2.gz ZHDHGXIAEGMEQR-CYBMUJFWSA-N 1 0 364.402 2.582 20 5 FFBDRO O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCC([NH2+]C2CCC2)CC1 ZINC000889836519 1010146499 /nfs/dbraw/zinc/14/64/99/1010146499.db2.gz QHKYFWHQXRWNEJ-UHFFFAOYSA-N 1 0 369.425 2.527 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@H](O)c2c(F)cccc2F)n1 ZINC000774252297 1010536340 /nfs/dbraw/zinc/53/63/40/1010536340.db2.gz LEAMNIUFGQRQFP-ZNMIVQPWSA-N 1 0 366.368 2.876 20 5 FFBDRO Cc1ccc(C[NH2+]Cc2ccc(CN3CCNC3=O)cc2)cc1[N+](=O)[O-] ZINC000865816791 1010868909 /nfs/dbraw/zinc/86/89/09/1010868909.db2.gz RMTJHEKOFRBXCM-UHFFFAOYSA-N 1 0 354.410 2.718 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2ncn(C[N@@H+]3CCC[C@H](C[C@@H]4CCOC4)C3)n2)c1 ZINC000773255391 1010898357 /nfs/dbraw/zinc/89/83/57/1010898357.db2.gz AINXNQCOBYUTHX-CVEARBPZSA-N 1 0 371.441 2.949 20 5 FFBDRO C[NH+](C)C1(C)CCC(NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000869007474 1011568026 /nfs/dbraw/zinc/56/80/26/1011568026.db2.gz QIJPFXCVSBMABL-UHFFFAOYSA-N 1 0 363.462 2.569 20 5 FFBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000646474578 1011969094 /nfs/dbraw/zinc/96/90/94/1011969094.db2.gz YCKIENPYJSZBRC-YJBOKZPZSA-N 1 0 363.461 2.706 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@@H](CO)Cc1ccc(O)cc1)CC2 ZINC001172901426 1012074904 /nfs/dbraw/zinc/07/49/04/1012074904.db2.gz NCXUSBDZYUUSIH-QZTJIDSGSA-N 1 0 356.422 2.741 20 5 FFBDRO CN1C[C@]2(CC1=O)CCCC[N@@H+]2[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172908881 1012080556 /nfs/dbraw/zinc/08/05/56/1012080556.db2.gz OUPLGBACSOHGRD-FXAWDEMLSA-N 1 0 357.454 2.929 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CC[C@H](Oc3ncccn3)C1)CC2 ZINC001172914092 1012095971 /nfs/dbraw/zinc/09/59/71/1012095971.db2.gz ZBJPWDCENSRFSD-AEFFLSMTSA-N 1 0 354.410 2.786 20 5 FFBDRO O=C(N[C@@H]1CCC[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1)C1CC1 ZINC001172913966 1012097090 /nfs/dbraw/zinc/09/70/90/1012097090.db2.gz WNCDQNDWZDSJMW-MSOLQXFVSA-N 1 0 357.454 2.833 20 5 FFBDRO Cc1c(C(=O)NCc2ccc3c[nH+]cn3c2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC001275238955 1012121874 /nfs/dbraw/zinc/12/18/74/1012121874.db2.gz VFBCBVGYNWWRES-UHFFFAOYSA-N 1 0 369.337 2.698 20 5 FFBDRO CCOC(=O)[C@H]1C[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCS1 ZINC001172911619 1012123586 /nfs/dbraw/zinc/12/35/86/1012123586.db2.gz DBFRKMKXRPOFFE-DOTOQJQBSA-N 1 0 364.467 2.823 20 5 FFBDRO C[NH2+]C[C@@H]1CCN(C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C1 ZINC000646709140 1012150109 /nfs/dbraw/zinc/15/01/09/1012150109.db2.gz RRBMZIZYHRXVQG-NSHDSACASA-N 1 0 371.387 2.641 20 5 FFBDRO CN1CCC([NH2+]C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)CC1 ZINC001173005917 1012174175 /nfs/dbraw/zinc/17/41/75/1012174175.db2.gz LOGHBKXYUXQSML-UHFFFAOYSA-N 1 0 354.401 2.526 20 5 FFBDRO C[C@H]1CC[N@@H+](C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)CC[C@@H]1O ZINC001173010580 1012178699 /nfs/dbraw/zinc/17/86/99/1012178699.db2.gz VLHVJDAPEPGJQD-SJCJKPOMSA-N 1 0 369.412 2.935 20 5 FFBDRO C[C@H]1C[C@@H](CO)[N@@H+](C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)C1 ZINC001173010141 1012178757 /nfs/dbraw/zinc/17/87/57/1012178757.db2.gz NAJXRGPYNJXNQJ-FZMZJTMJSA-N 1 0 355.385 2.545 20 5 FFBDRO C[C@@H]1CC[C@H](O)C[N@@H+]1C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173009343 1012178834 /nfs/dbraw/zinc/17/88/34/1012178834.db2.gz BHMYZMMKPVGYHF-RISCZKNCSA-N 1 0 355.385 2.687 20 5 FFBDRO CCn1ccc(C[NH2+]C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)n1 ZINC001173011683 1012181371 /nfs/dbraw/zinc/18/13/71/1012181371.db2.gz JGNJSZDSNJPZQJ-UHFFFAOYSA-N 1 0 365.384 2.848 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH2+]C[C@H]3CCCC[C@H]3O)CC2)c(F)c1 ZINC001173011701 1012181637 /nfs/dbraw/zinc/18/16/37/1012181637.db2.gz GVZKKZAZMUXHLA-SJKOYZFVSA-N 1 0 369.412 2.983 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C[C@H](O)c2ccc(O)cc2)c1F ZINC001173179150 1012321675 /nfs/dbraw/zinc/32/16/75/1012321675.db2.gz NRASWKKLDXPWBJ-ZBEGNZNMSA-N 1 0 364.373 2.702 20 5 FFBDRO CCOc1cc(C[NH2+][C@@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])ncn1 ZINC001173179168 1012322413 /nfs/dbraw/zinc/32/24/13/1012322413.db2.gz KBCWZSUCWUFZHN-NSHDSACASA-N 1 0 364.377 2.652 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]Cc2ccc3nnc(C)n3c2)c1F ZINC001173180528 1012323654 /nfs/dbraw/zinc/32/36/54/1012323654.db2.gz RGUZEXJAODEEOP-LLVKDONJSA-N 1 0 373.388 2.814 20 5 FFBDRO COC(=O)[C@@H]1CCC[C@H]([NH2+][C@@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C1 ZINC001173180011 1012325083 /nfs/dbraw/zinc/32/50/83/1012325083.db2.gz OVOZZBVZDTWTDX-XQQFMLRXSA-N 1 0 368.405 2.995 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CCCCCNC(C)=O)c1F ZINC001173185020 1012330199 /nfs/dbraw/zinc/33/01/99/1012330199.db2.gz UMGRVAOTBAPUNZ-LBPRGKRZSA-N 1 0 355.410 2.570 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CC[C@H]([N@H+](C)C3CC3)C2)c1F ZINC001173192114 1012335079 /nfs/dbraw/zinc/33/50/79/1012335079.db2.gz IGMNMOLOKYITOV-JSGCOSHPSA-N 1 0 351.422 2.842 20 5 FFBDRO COC(=O)[C@]1(C)CC[N@@H+]([C@@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C1 ZINC001173192837 1012336213 /nfs/dbraw/zinc/33/62/13/1012336213.db2.gz KXQKNWDLSMGYKP-APPDUMDISA-N 1 0 354.378 2.559 20 5 FFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1CCN(C(=O)c2ccncc2)CC1 ZINC001173219621 1012352216 /nfs/dbraw/zinc/35/22/16/1012352216.db2.gz DVGBNBMJQOLLOA-OAHLLOKOSA-N 1 0 368.437 2.815 20 5 FFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC001173223111 1012354864 /nfs/dbraw/zinc/35/48/64/1012354864.db2.gz XXUNDXQHMGYGSY-VDNDLQMASA-N 1 0 361.442 2.981 20 5 FFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC001173228530 1012363735 /nfs/dbraw/zinc/36/37/35/1012363735.db2.gz YVFYSBMWCUNEOL-YTQUADARSA-N 1 0 366.465 2.985 20 5 FFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCc1ccc(CC(=O)N(C)C)cc1 ZINC001173229287 1012363910 /nfs/dbraw/zinc/36/39/10/1012363910.db2.gz SJNNQIVRUZJJGJ-INIZCTEOSA-N 1 0 369.465 2.989 20 5 FFBDRO COc1cccnc1N1CC[NH+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173231073 1012364420 /nfs/dbraw/zinc/36/44/20/1012364420.db2.gz JKEOMJQFYWOKES-HNNXBMFYSA-N 1 0 356.426 2.752 20 5 FFBDRO COc1ccc(OC[C@@H](O)C[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001173212637 1012370608 /nfs/dbraw/zinc/37/06/08/1012370608.db2.gz BVAIDSDEGVHCOK-YOEHRIQHSA-N 1 0 360.410 2.564 20 5 FFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[NH+](Cc2cccc(N)c2)CC1 ZINC001173237743 1012384520 /nfs/dbraw/zinc/38/45/20/1012384520.db2.gz LTGILNZIDUHLGS-MRXNPFEDSA-N 1 0 354.454 2.926 20 5 FFBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)OC[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC000870734082 1012542308 /nfs/dbraw/zinc/54/23/08/1012542308.db2.gz YRHDYMNNNRWRIE-INIZCTEOSA-N 1 0 364.446 2.830 20 5 FFBDRO O=C(OC1CC(n2cc([N+](=O)[O-])cn2)C1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000870828533 1012582909 /nfs/dbraw/zinc/58/29/09/1012582909.db2.gz RDESEQBGGJBIOS-UHFFFAOYSA-N 1 0 370.409 2.948 20 5 FFBDRO c1cnc2c(c1)ccc1ccc(-c3noc(-c4n[nH]c5c4C[NH2+]CC5)n3)nc12 ZINC001217204588 1032647380 /nfs/dbraw/zinc/64/73/80/1032647380.db2.gz SVOLOWAIYKXMEZ-UHFFFAOYSA-N 1 0 369.388 2.869 20 5 FFBDRO C[C@@H]([NH2+]C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)C(C)(C)C ZINC001173692060 1012901324 /nfs/dbraw/zinc/90/13/24/1012901324.db2.gz CZLCAZJZSDRMSH-CYBMUJFWSA-N 1 0 369.487 2.772 20 5 FFBDRO CC[NH+]1CCC(CNC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)CC1 ZINC000748717501 1017566744 /nfs/dbraw/zinc/56/67/44/1017566744.db2.gz QBVILOXJBMNZAO-UHFFFAOYSA-N 1 0 364.402 2.582 20 5 FFBDRO CC(C)c1ccc(C(=O)N2CCC([NH+]3CCN(C)CC3)CC2)cc1[N+](=O)[O-] ZINC000827439577 1018033074 /nfs/dbraw/zinc/03/30/74/1018033074.db2.gz GDSGYTXOACGXOC-UHFFFAOYSA-N 1 0 374.485 2.570 20 5 FFBDRO CCc1ccc(C(=O)N[C@H](CC[NH+](C)C)c2cccnc2)cc1[N+](=O)[O-] ZINC000928838593 1019155503 /nfs/dbraw/zinc/15/55/03/1019155503.db2.gz LVYXXVPXCIMHKG-QGZVFWFLSA-N 1 0 356.426 2.975 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2cnn(CN3CCC[C@@H]3C[NH+]3CCCC3)c2)c1 ZINC000777955748 1020314648 /nfs/dbraw/zinc/31/46/48/1020314648.db2.gz RWPQJJADTJTVGS-LJQANCHMSA-N 1 0 355.442 2.976 20 5 FFBDRO O=c1c2cc(O[C@@H]3CCC[NH2+]C[C@H]3F)c(O)cc2oc2cccc(O)c12 ZINC001217950219 1032916527 /nfs/dbraw/zinc/91/65/27/1032916527.db2.gz YGGWTJKGZHETQQ-BXUZGUMPSA-N 1 0 359.353 2.826 20 5 FFBDRO COc1cc([C@H](C)NC2CC[NH+](C[C@H]3CCOC3)CC2)cc([N+](=O)[O-])c1 ZINC000903098310 1020676727 /nfs/dbraw/zinc/67/67/27/1020676727.db2.gz MXXNFFNYCBVGEA-LSDHHAIUSA-N 1 0 363.458 2.755 20 5 FFBDRO COc1cc2c(cc1OC)C1(CCC1)N(Cc1cn(C)nc1[N+](=O)[O-])CC2 ZINC000932082885 1020700446 /nfs/dbraw/zinc/70/04/46/1020700446.db2.gz ZXOLZMAILUSIRY-UHFFFAOYSA-N 1 0 372.425 2.783 20 5 FFBDRO COCc1cccc(CNC(=O)C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000932180181 1020734492 /nfs/dbraw/zinc/73/44/92/1020734492.db2.gz PLPNURVHBFRWDX-CQSZACIVSA-N 1 0 357.410 2.708 20 5 FFBDRO Cc1c(NC(=O)CCN2CCn3nc(C4CC4)cc3C2)cccc1[N+](=O)[O-] ZINC000932604612 1020845618 /nfs/dbraw/zinc/84/56/18/1020845618.db2.gz DDGMEGMUPZHGKO-UHFFFAOYSA-N 1 0 369.425 2.822 20 5 FFBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC(c2nc3c(s2)CCC3)CC1 ZINC000932620042 1020852065 /nfs/dbraw/zinc/85/20/65/1020852065.db2.gz ZCMCZCOVXRTPBK-UHFFFAOYSA-N 1 0 374.466 2.581 20 5 FFBDRO COC(=O)[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2C)[C@H]([C@@H]2CCCO2)C1 ZINC000933183022 1020974191 /nfs/dbraw/zinc/97/41/91/1020974191.db2.gz ZVKNIKACKZMOPW-JLSDUUJJSA-N 1 0 362.426 2.836 20 5 FFBDRO Cc1nn(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c2ncc([N+](=O)[O-])cc12 ZINC000749958101 1021166386 /nfs/dbraw/zinc/16/63/86/1021166386.db2.gz GTGPTGNVTWGPAE-CABCVRRESA-N 1 0 358.446 2.553 20 5 FFBDRO C[C@@H]1C[C@H](Oc2cc(I)ccc2[N+](=O)[O-])CC[NH2+]1 ZINC001218063309 1032975228 /nfs/dbraw/zinc/97/52/28/1032975228.db2.gz YJYJNWFOIPYPTI-PSASIEDQSA-N 1 0 362.167 2.719 20 5 FFBDRO O=[N+]([O-])c1cc(O[C@@H]2CC[C@@]23CC[NH2+]C3)ccc1I ZINC001218116380 1033002896 /nfs/dbraw/zinc/00/28/96/1033002896.db2.gz JNLWLHYXKAPJRG-OLZOCXBDSA-N 1 0 374.178 2.720 20 5 FFBDRO C[C@H](CC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)N(C)C(=O)OC(C)(C)C ZINC001118149624 1022092236 /nfs/dbraw/zinc/09/22/36/1022092236.db2.gz LFBFRYKGGAHUMZ-CJNGLKHVSA-N 1 0 367.446 2.863 20 5 FFBDRO C[C@@H]1C[NH+](C(C)(C)CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000041864698 1022115574 /nfs/dbraw/zinc/11/55/74/1022115574.db2.gz JZLRHLTVKVXBFE-FSQQNCNXSA-N 1 0 361.442 2.612 20 5 FFBDRO COc1ccc(C(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)cc1[N+](=O)[O-] ZINC000750580162 1022201386 /nfs/dbraw/zinc/20/13/86/1022201386.db2.gz FXUDXIHAGWGMPN-UHFFFAOYSA-N 1 0 357.410 2.937 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC(Oc3ccc4c(n3)CC[NH2+]CC4)CC2)cc1 ZINC001218191158 1033040918 /nfs/dbraw/zinc/04/09/18/1033040918.db2.gz BGESCIPZTWJDGF-UHFFFAOYSA-N 1 0 368.437 2.726 20 5 FFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+](Cc2ccccc2)[C@@H](CO)C2CC2)c1 ZINC000156033242 1022316635 /nfs/dbraw/zinc/31/66/35/1022316635.db2.gz LVMMOPYPBKELBB-PMACEKPBSA-N 1 0 356.422 2.901 20 5 FFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([N@H+](CC2CC2)CC2CCCCC2)CC1 ZINC001039485719 1022760553 /nfs/dbraw/zinc/76/05/53/1022760553.db2.gz MIIUTFSSBPONAH-RTBURBONSA-N 1 0 363.502 2.935 20 5 FFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(C1)CC[NH+](CC1CCCCCC1)CC2 ZINC001040701144 1022954863 /nfs/dbraw/zinc/95/48/63/1022954863.db2.gz UYXFOCITRJTCNX-QZTJIDSGSA-N 1 0 363.502 2.937 20 5 FFBDRO C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N)C[N@@H+]1Cc1ccccc1 ZINC000188328664 1023056525 /nfs/dbraw/zinc/05/65/25/1023056525.db2.gz AJKOXLSZBHKRKE-DZGCQCFKSA-N 1 0 354.410 2.570 20 5 FFBDRO C/C(=C\C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000752424327 1023140026 /nfs/dbraw/zinc/14/00/26/1023140026.db2.gz KFRPQGADWYNVAG-ASNKMWSDSA-N 1 0 373.453 2.615 20 5 FFBDRO C[NH2+][C@@H](CNC(=O)c1cc(SC)ccc1[N+](=O)[O-])Cc1ccccc1 ZINC001122261352 1023153139 /nfs/dbraw/zinc/15/31/39/1023153139.db2.gz SKECCXLCNKHHKH-CQSZACIVSA-N 1 0 359.451 2.877 20 5 FFBDRO Cc1cc(F)cc(C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000753080230 1023265017 /nfs/dbraw/zinc/26/50/17/1023265017.db2.gz FLBMMWVRGWEODY-INIZCTEOSA-N 1 0 359.401 2.945 20 5 FFBDRO C[C@H]1CCC[C@H](C)C1[NH2+]CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000754121270 1023428526 /nfs/dbraw/zinc/42/85/26/1023428526.db2.gz BGKSAFAKMWXNRJ-HOTGVXAUSA-N 1 0 374.485 2.658 20 5 FFBDRO C[C@@H]1CC[C@@H](Oc2cc(O)cc3oc4c(O)ccc(O)c4c(=O)c23)C[NH2+]1 ZINC001218408455 1033140931 /nfs/dbraw/zinc/14/09/31/1033140931.db2.gz QUZDWHNZMIWERS-MWLCHTKSSA-N 1 0 357.362 2.582 20 5 FFBDRO O=C(NC1CC2(C1)CC([NH2+]CCCCc1ccccc1)C2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001121087850 1023598987 /nfs/dbraw/zinc/59/89/87/1023598987.db2.gz XDWHFCFUJCCZBA-JGQKGBITSA-N 1 0 371.481 2.692 20 5 FFBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)OC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000755676490 1023622333 /nfs/dbraw/zinc/62/23/33/1023622333.db2.gz AIBWXOLTQIDJCN-SPQRHKFCSA-N 1 0 362.426 2.898 20 5 FFBDRO C[C@@H](c1nnc(N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n1C)[N+](=O)[O-] ZINC001121296101 1023692725 /nfs/dbraw/zinc/69/27/25/1023692725.db2.gz DZBGQDPMLZFLOY-HLLBOEOZSA-N 1 0 372.473 2.642 20 5 FFBDRO CCC[C@H]1CCC[N@H+](CN2C(=O)N[C@@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000757610435 1023836816 /nfs/dbraw/zinc/83/68/16/1023836816.db2.gz MWSUHVDWGANHBP-LIRRHRJNSA-N 1 0 374.441 2.831 20 5 FFBDRO Cn1c(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)ccc1[C@@H]1CCCC[NH2+]1 ZINC001121875460 1024125280 /nfs/dbraw/zinc/12/52/80/1024125280.db2.gz PBRAUVNKYBBANT-KRWDZBQOSA-N 1 0 368.437 2.946 20 5 FFBDRO [NH3+][C@H]1CN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CC[C@H]1C(F)(F)F ZINC001122160182 1024395758 /nfs/dbraw/zinc/39/57/58/1024395758.db2.gz WVKHNNLUMQSMCC-KGLIPLIRSA-N 1 0 371.359 2.755 20 5 FFBDRO Cc1c(C(=O)N2CC[NH+](CC(C)C)CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000195334708 1024990179 /nfs/dbraw/zinc/99/01/79/1024990179.db2.gz VEVXNYYDNILDMF-UHFFFAOYSA-N 1 0 364.402 2.534 20 5 FFBDRO Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cc([N+](=O)[O-])cc(C)n3)CC2)cc1 ZINC001141295203 1025782722 /nfs/dbraw/zinc/78/27/22/1025782722.db2.gz WDVLYGAISNFFRP-UHFFFAOYSA-N 1 0 368.437 2.955 20 5 FFBDRO O=[N+]([O-])c1cnn(CN2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000247010277 1026618875 /nfs/dbraw/zinc/61/88/75/1026618875.db2.gz LDOUXNSCMXYNRX-IEBWSBKVSA-N 1 0 355.442 2.735 20 5 FFBDRO Cc1nn(C[N@@H+]2CCC[C@H](CC(C)(C)C(N)=O)C2)c2cc([N+](=O)[O-])ccc12 ZINC000840108119 1026959663 /nfs/dbraw/zinc/95/96/63/1026959663.db2.gz IEYZQDNTMNCIRI-CQSZACIVSA-N 1 0 373.457 2.824 20 5 FFBDRO O=[N+]([O-])c1cn(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)nc1-c1ccncc1 ZINC000840113700 1026962137 /nfs/dbraw/zinc/96/21/37/1026962137.db2.gz CBQUNPLTBXKMRI-LZLYRXPVSA-N 1 0 371.441 2.826 20 5 FFBDRO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CC[N@H+](CC)CC1(C)C ZINC001158561140 1027060540 /nfs/dbraw/zinc/06/05/40/1027060540.db2.gz KHKDZPPXWUQNBW-UHFFFAOYSA-N 1 0 370.837 2.740 20 5 FFBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CCC[C@@H]([NH3+])c3cc(C)ccc32)n1 ZINC001158738254 1027118773 /nfs/dbraw/zinc/11/87/73/1027118773.db2.gz ZFNSPWBVWAJOOV-CQSZACIVSA-N 1 0 370.413 2.892 20 5 FFBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N2CCC3(CC2)[NH2+]Cc2ccccc23)n1 ZINC001159025829 1027235236 /nfs/dbraw/zinc/23/52/36/1027235236.db2.gz CXMQCIVONSMMKF-UHFFFAOYSA-N 1 0 359.817 2.946 20 5 FFBDRO COC(=O)c1ccnc(N(CC[NH3+])C23CC4CC(CC(C4)C2)C3)c1[N+](=O)[O-] ZINC001159544951 1027428139 /nfs/dbraw/zinc/42/81/39/1027428139.db2.gz DIGSYNSMMVQGBP-UHFFFAOYSA-N 1 0 374.441 2.510 20 5 FFBDRO [NH3+]C[C@]1(Nc2cc3ccc(Cl)nc3cc2[N+](=O)[O-])CN2CCC1CC2 ZINC001160521277 1027739301 /nfs/dbraw/zinc/73/93/01/1027739301.db2.gz XSGCUTAXRHUTAD-KRWDZBQOSA-N 1 0 361.833 2.631 20 5 FFBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000795707443 1027895056 /nfs/dbraw/zinc/89/50/56/1027895056.db2.gz NLKAJJHICCBLTA-DNVCBOLYSA-N 1 0 355.442 2.974 20 5 FFBDRO COc1cccc(C[N@@H+]2CC[C@H](Nc3ncc(OC)cc3[N+](=O)[O-])C2)c1 ZINC001161187332 1028058943 /nfs/dbraw/zinc/05/89/43/1028058943.db2.gz DSPRJSXGPBTELJ-AWEZNQCLSA-N 1 0 358.398 2.693 20 5 FFBDRO O=C(c1cc(=S)cc2[nH]c3ccccc3nc1-2)N1CC[NH2+]C2(CC2)C1 ZINC001161559721 1028230608 /nfs/dbraw/zinc/23/06/08/1028230608.db2.gz JEDZRBDUXYANFE-UHFFFAOYSA-N 1 0 350.447 2.975 20 5 FFBDRO C[NH+](C)CC(=O)N[C@H]1CC[C@H](Nc2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC001161669994 1028273757 /nfs/dbraw/zinc/27/37/57/1028273757.db2.gz RPCRHALKFHRJHW-SHTZXODSSA-N 1 0 371.441 2.544 20 5 FFBDRO Cc1cccc(C[NH+]2CCC3(CCN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])CC3)CC2)c1 ZINC000957547681 1028324377 /nfs/dbraw/zinc/32/43/77/1028324377.db2.gz LTJOKGACJUAUOT-RTBURBONSA-N 1 0 371.481 2.865 20 5 FFBDRO O=[N+]([O-])c1ccc2c(ccnc2-n2nc(C(F)(F)F)c3c2CC[NH2+]C3)c1 ZINC001154855053 1028485889 /nfs/dbraw/zinc/48/58/89/1028485889.db2.gz QJKDLPLGHPVEKB-UHFFFAOYSA-N 1 0 363.299 2.993 20 5 FFBDRO CCOC1(OCC)CC[NH2+]C[C@@H]1Nc1nccc2ccc([N+](=O)[O-])cc21 ZINC001155231662 1028638688 /nfs/dbraw/zinc/63/86/88/1028638688.db2.gz PQZCGYFZOPHKNP-INIZCTEOSA-N 1 0 360.414 2.686 20 5 FFBDRO CC(C)Oc1nc(NCC[C@@H]2C[NH2+]Cc3cccn3C2)ccc1[N+](=O)[O-] ZINC001155462834 1028746568 /nfs/dbraw/zinc/74/65/68/1028746568.db2.gz QHULTENLKHXUCV-CQSZACIVSA-N 1 0 359.430 2.800 20 5 FFBDRO Cc1cc(Cl)nc(-n2c3ccccc3nc2N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001155578698 1028799145 /nfs/dbraw/zinc/79/91/45/1028799145.db2.gz RMRBLOOPQANMCY-UHFFFAOYSA-N 1 0 372.816 2.700 20 5 FFBDRO NC1=CC=C(C2CCN(c3nccc4ccc([N+](=O)[O-])cc43)CC2)[NH2+]C1 ZINC001163133068 1028818846 /nfs/dbraw/zinc/81/88/46/1028818846.db2.gz AEEXKUWEFYAXPJ-UHFFFAOYSA-N 1 0 351.410 2.689 20 5 FFBDRO CSc1nc(Cl)nc(NC[C@@H]2Cc3ccccc3C[NH2+]2)c1[N+](=O)[O-] ZINC001163274496 1028866909 /nfs/dbraw/zinc/86/69/09/1028866909.db2.gz SZHJDMUFIIZASG-NSHDSACASA-N 1 0 365.846 2.887 20 5 FFBDRO COc1cccc([C@@H](C[NH3+])Nc2nc(Cl)nc(SC)c2[N+](=O)[O-])c1 ZINC001163310189 1028887024 /nfs/dbraw/zinc/88/70/24/1028887024.db2.gz UPYKXZMKQIOFED-SNVBAGLBSA-N 1 0 369.834 2.881 20 5 FFBDRO [NH3+]CCCC[C@H](Nc1nc2ccccc2cc1[N+](=O)[O-])C(=O)N1CCCC1 ZINC001163457494 1028932847 /nfs/dbraw/zinc/93/28/47/1028932847.db2.gz YSAYQQLNVVPKEG-INIZCTEOSA-N 1 0 371.441 2.675 20 5 FFBDRO Cc1nc(Cl)nc(NCc2cccnc2C2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001155995314 1029005408 /nfs/dbraw/zinc/00/54/08/1029005408.db2.gz XYBYPRFLGNGBQK-UHFFFAOYSA-N 1 0 362.821 2.821 20 5 FFBDRO C[NH2+]CCN(C)C(F)(F)c1cc(-c2cccc([N+](=O)[O-])c2)nnc1Cl ZINC001163724645 1029040808 /nfs/dbraw/zinc/04/08/08/1029040808.db2.gz ZBJOWDDGUGCDGU-UHFFFAOYSA-N 1 0 371.775 2.906 20 5 FFBDRO CC(C)Oc1nc(N2CCC[N@H+](Cc3ccncc3)CC2)ccc1[N+](=O)[O-] ZINC001163828861 1029080421 /nfs/dbraw/zinc/08/04/21/1029080421.db2.gz RMBDGOWEHVHMKV-UHFFFAOYSA-N 1 0 371.441 2.884 20 5 FFBDRO COc1nc(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)ncc1[N+](=O)[O-] ZINC001156314330 1029139419 /nfs/dbraw/zinc/13/94/19/1029139419.db2.gz FWWKPOVBHCCGQM-OWCLPIDISA-N 1 0 369.425 2.716 20 5 FFBDRO CNC(=O)c1ccc(N2C[C@H]([NH+]3CCCC3)C[C@@H]2C(C)C)c([N+](=O)[O-])c1 ZINC001164350862 1029255144 /nfs/dbraw/zinc/25/51/44/1029255144.db2.gz MOPMWGNPOCEBCD-NVXWUHKLSA-N 1 0 360.458 2.654 20 5 FFBDRO O=C(NCCC1(C[NH2+]CC/C=C/c2ccccc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001164494882 1029298986 /nfs/dbraw/zinc/29/89/86/1029298986.db2.gz XDSAOYOCYDHSLZ-PLDKWVJVSA-N 1 0 357.454 2.631 20 5 FFBDRO CC(C)Oc1nc(N2CC[NH2+][C@@H](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC001164627739 1029347675 /nfs/dbraw/zinc/34/76/75/1029347675.db2.gz WWTWADKJUBOJFC-INIZCTEOSA-N 1 0 356.426 2.798 20 5 FFBDRO Cc1nc(NC2(C(=O)OC(C)(C)C)CCC([NH3+])CC2)ccc1[N+](=O)[O-] ZINC001156794826 1029349739 /nfs/dbraw/zinc/34/97/39/1029349739.db2.gz OKGFWAXWKSVYGI-UHFFFAOYSA-N 1 0 350.419 2.692 20 5 FFBDRO CC[N@H+]([C@H]1CCOC1)C1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC001165106824 1029391877 /nfs/dbraw/zinc/39/18/77/1029391877.db2.gz BBQFYKLEJMOJPD-INIZCTEOSA-N 1 0 371.441 2.618 20 5 FFBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N(C)[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1C ZINC001165184847 1029439683 /nfs/dbraw/zinc/43/96/83/1029439683.db2.gz YXBPZAUIUWRLPA-HNAYVOBHSA-N 1 0 370.453 2.883 20 5 FFBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CCC([N@H+](C)Cc2ccc(F)cc2)CC1 ZINC001157074497 1029458475 /nfs/dbraw/zinc/45/84/75/1029458475.db2.gz HMSZCKMQBGFERZ-UHFFFAOYSA-N 1 0 374.416 2.777 20 5 FFBDRO COC(=O)c1ccnc(N(Cc2ccccc2)[C@@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC001157433256 1029585381 /nfs/dbraw/zinc/58/53/81/1029585381.db2.gz GOGSOGYAMHULMT-OAHLLOKOSA-N 1 0 370.409 2.535 20 5 FFBDRO [NH3+]CCc1nc(-c2ccccc2)nn1-c1ccc2cccc([N+](=O)[O-])c2n1 ZINC001157895771 1029681541 /nfs/dbraw/zinc/68/15/41/1029681541.db2.gz RLUDDSKZBAHOHY-UHFFFAOYSA-N 1 0 360.377 2.892 20 5 FFBDRO O=C(CC[N@@H+]1CCC[C@@H]([C@@H]2CCOC2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000782526169 1029732612 /nfs/dbraw/zinc/73/26/12/1029732612.db2.gz HQSNWAAABQPTGK-ZIAGYGMSSA-N 1 0 365.405 2.811 20 5 FFBDRO O=[N+]([O-])c1cc(N(c2ccncc2F)C2CC[NH2+]CC2)nc2[nH]ccc21 ZINC001158342992 1029802812 /nfs/dbraw/zinc/80/28/12/1029802812.db2.gz FMIJSPLCNOVNHG-UHFFFAOYSA-N 1 0 356.361 2.895 20 5 FFBDRO O=[N+]([O-])c1c(Cl)nc(C(F)(F)F)nc1N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001165243969 1029911966 /nfs/dbraw/zinc/91/19/66/1029911966.db2.gz QAAYBTCAKCMKRJ-LBPRGKRZSA-N 1 0 365.743 2.637 20 5 FFBDRO O=[N+]([O-])c1cc(N2CCC3(CC[NH2+]CC3)[C@@H]2C(F)(F)F)nc2[nH]ccc21 ZINC001165271819 1029926378 /nfs/dbraw/zinc/92/63/78/1029926378.db2.gz WWBNNQUIFLNLCZ-CQSZACIVSA-N 1 0 369.347 2.982 20 5 FFBDRO O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1C[C@H]2c3ccccc3C[NH2+][C@@H]2C1 ZINC001165350421 1029954367 /nfs/dbraw/zinc/95/43/67/1029954367.db2.gz XHCQZTGUARBFAE-WDEREUQCSA-N 1 0 366.208 2.767 20 5 FFBDRO O=C1CN(C[N@@H+]2CCCC3(CCCC3)C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000783544265 1030145948 /nfs/dbraw/zinc/14/59/48/1030145948.db2.gz TYCVXQSFDPNDAK-UHFFFAOYSA-N 1 0 372.425 2.977 20 5 FFBDRO C/C(=C\C(=O)N1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000784082312 1030458126 /nfs/dbraw/zinc/45/81/26/1030458126.db2.gz HOMHOLSKAZKLEO-PIDBWSNSSA-N 1 0 373.453 2.708 20 5 FFBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N2CCC([C@H]3CCC[NH2+]3)CC2)n1 ZINC001166900382 1030568433 /nfs/dbraw/zinc/56/84/33/1030568433.db2.gz NHMIERBDMVIJMG-SNVBAGLBSA-N 1 0 357.867 2.729 20 5 FFBDRO Cc1nc(N(CC[NH3+])Cc2ccc(Cl)cc2Cl)ncc1[N+](=O)[O-] ZINC001166912106 1030573498 /nfs/dbraw/zinc/57/34/98/1030573498.db2.gz LQKILQNGBIKQHH-UHFFFAOYSA-N 1 0 356.213 2.965 20 5 FFBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC000842480642 1030755059 /nfs/dbraw/zinc/75/50/59/1030755059.db2.gz WKJQNIQLVDBVPY-YPMHNXCESA-N 1 0 374.828 2.965 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@H](O)c2cccc(C(F)(F)F)c2)c1 ZINC000843073051 1031172090 /nfs/dbraw/zinc/17/20/90/1031172090.db2.gz MOOCIRHVROVIQT-HZPDHXFCSA-N 1 0 370.327 2.970 20 5 FFBDRO C[C@]1(Br)C[C@@H]1C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001205114501 1031533425 /nfs/dbraw/zinc/53/34/25/1031533425.db2.gz HWAUNOVHGROJCF-DOMZBBRYSA-N 1 0 354.248 2.890 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1COC[C@H]1CCC2(CC[NH+](C)CC2)O1 ZINC001223943320 1033654555 /nfs/dbraw/zinc/65/45/55/1033654555.db2.gz LZHLYSFKVDTHDI-MRXNPFEDSA-N 1 0 350.415 2.763 20 5 FFBDRO COc1ccc(NC(=O)NC[C@H]2c3ccccc3CN2C)c([N+](=O)[O-])c1 ZINC001219572371 1033696067 /nfs/dbraw/zinc/69/60/67/1033696067.db2.gz MOZFQKXLBMJIBX-KRWDZBQOSA-N 1 0 356.382 2.912 20 5 FFBDRO O=C1C[C@H]2C[C@H](OCc3ccc([N+](=O)[O-])nc3)[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001224113826 1033720727 /nfs/dbraw/zinc/72/07/27/1033720727.db2.gz KUZSGNDTECUANJ-UHOSZYNNSA-N 1 0 367.405 2.881 20 5 FFBDRO COC(=O)Cc1ccc(OC2CC[NH+](C(C)(C)C)CC2)c([N+](=O)[O-])c1 ZINC001226216789 1034577347 /nfs/dbraw/zinc/57/73/47/1034577347.db2.gz LVAAVLCPIRFKFF-UHFFFAOYSA-N 1 0 350.415 2.952 20 5 FFBDRO COCC[NH+]1CCC(Oc2cc([N+](=O)[O-])ccc2Br)CC1 ZINC001226582683 1034746785 /nfs/dbraw/zinc/74/67/85/1034746785.db2.gz NZSJRFAJHXEZNP-UHFFFAOYSA-N 1 0 359.220 2.847 20 5 FFBDRO O=[N+]([O-])c1cc(F)cnc1OC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001226751634 1034820544 /nfs/dbraw/zinc/82/05/44/1034820544.db2.gz NTNPEWJCIOJEIA-MRXNPFEDSA-N 1 0 361.373 2.799 20 5 FFBDRO O=[N+]([O-])c1cc(F)cnc1OC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001226751633 1034820630 /nfs/dbraw/zinc/82/06/30/1034820630.db2.gz NTNPEWJCIOJEIA-INIZCTEOSA-N 1 0 361.373 2.799 20 5 FFBDRO C[NH+]1CCC2(CC[C@H](COc3cc(=O)[nH]c4ccc([N+](=O)[O-])cc43)O2)CC1 ZINC001227216979 1034972702 /nfs/dbraw/zinc/97/27/02/1034972702.db2.gz VIESJHBRVZSMRB-CQSZACIVSA-N 1 0 373.409 2.871 20 5 FFBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1cc(F)c([N+](=O)[O-])cc1NC(C)=O ZINC000832865395 1035004109 /nfs/dbraw/zinc/00/41/09/1035004109.db2.gz BUCMJEWTTFHHLL-LLVKDONJSA-N 1 0 368.409 2.543 20 5 FFBDRO COc1cc(C(=O)NC2CCC(C)([NH+]3CCC3)CC2)c([N+](=O)[O-])cc1F ZINC000834776124 1035447538 /nfs/dbraw/zinc/44/75/38/1035447538.db2.gz OLOMZPYEHBVHIQ-UHFFFAOYSA-N 1 0 365.405 2.879 20 5 FFBDRO CCOC(=O)c1ccc(OC2CC[NH+](CCCOC)CC2)c([N+](=O)[O-])c1 ZINC001227300431 1035498329 /nfs/dbraw/zinc/49/83/29/1035498329.db2.gz GQYNBUFLMSIWTI-UHFFFAOYSA-N 1 0 366.414 2.651 20 5 FFBDRO O=[N+]([O-])c1ccc(O[C@H]2CC[C@H]([NH+]3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC001227466337 1035566250 /nfs/dbraw/zinc/56/62/50/1035566250.db2.gz MTUYHPOGKKTYJL-MQMHXKEQSA-N 1 0 351.359 2.525 20 5 FFBDRO COc1cc(O[C@@H]2CCC[N@H+](C)C2)c2c(c1)oc1c(O)ccc(O)c1c2=O ZINC001227645976 1035652989 /nfs/dbraw/zinc/65/29/89/1035652989.db2.gz LTBPZXUKOKBYMT-LLVKDONJSA-N 1 0 371.389 2.839 20 5 FFBDRO C[C@H](C[N+](C)(C)C)Oc1ncnc2c(I)cccc12 ZINC001229074542 1036484760 /nfs/dbraw/zinc/48/47/60/1036484760.db2.gz KIKQXNHFTFZEQM-SNVBAGLBSA-N 1 0 372.230 2.708 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)ncnc2O[C@H]1CC[C@@H]([NH+]2CCOCC2)CC1 ZINC001229403368 1036653677 /nfs/dbraw/zinc/65/36/77/1036653677.db2.gz QGRRRHLDHOTQOT-OTVXOJSOSA-N 1 0 358.398 2.560 20 5 FFBDRO COC(=O)c1cnc(O[C@H]2CCCN(c3ccc(C)cn3)C2)c([N+](=O)[O-])c1 ZINC001233867090 1036795766 /nfs/dbraw/zinc/79/57/66/1036795766.db2.gz SGZNLUGHBNIYOD-AWEZNQCLSA-N 1 0 372.381 2.528 20 5 FFBDRO C[C@@H](c1ccccc1)c1ccc(O)cc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001229693066 1036833701 /nfs/dbraw/zinc/83/37/01/1036833701.db2.gz YACKPARSUNKLMS-MAUKXSAKSA-O 1 0 358.458 2.907 20 5 FFBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc(Br)c(Cl)c1F ZINC001234290625 1036984287 /nfs/dbraw/zinc/98/42/87/1036984287.db2.gz AZMOHZGNINYWJS-MRVPVSSYSA-N 1 0 369.638 2.604 20 5 FFBDRO C[C@@H](C[N+](C)(C)C)Oc1cc2c(cc1[C@H]1c3ccccc3NC1=O)OCO2 ZINC001230430174 1037279998 /nfs/dbraw/zinc/27/99/98/1037279998.db2.gz DUZQTVKVJOJCOA-RNODOKPDSA-O 1 0 369.441 2.973 20 5 FFBDRO COc1cc(N2CCC([N@@H+]3CCC[C@]4(CCO4)C3)CC2)ccc1[N+](=O)[O-] ZINC001256100363 1038384052 /nfs/dbraw/zinc/38/40/52/1038384052.db2.gz GVYGUKNARHELOI-IBGZPJMESA-N 1 0 361.442 2.827 20 5 FFBDRO C[C@@H]([NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C(=O)NCC(F)(F)F ZINC001256194655 1038426762 /nfs/dbraw/zinc/42/67/62/1038426762.db2.gz RIQACVABOXYKCL-NOZJJQNGSA-N 1 0 359.348 2.974 20 5 FFBDRO Cc1sc(-c2nnc(CC[NH+]3C[C@H](C)O[C@@H](C)C3)o2)cc1[N+](=O)[O-] ZINC001258132380 1039207063 /nfs/dbraw/zinc/20/70/63/1039207063.db2.gz TVZKMPOVPIPNIC-UWVGGRQHSA-N 1 0 352.416 2.666 20 5 FFBDRO C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1Br ZINC001251758673 1039290556 /nfs/dbraw/zinc/29/05/56/1039290556.db2.gz WTLYRQJWGZYNOO-KGLIPLIRSA-N 1 0 370.247 2.960 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CC[C@@]3(C2)CCCC[NH2+]3)c1F ZINC001246620634 1039418675 /nfs/dbraw/zinc/41/86/75/1039418675.db2.gz KVSSBDIDOVZXPG-FZKQIMNGSA-N 1 0 351.422 2.892 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CC[C@]3(C2)CCCC[NH2+]3)c1F ZINC001246620632 1039418693 /nfs/dbraw/zinc/41/86/93/1039418693.db2.gz KVSSBDIDOVZXPG-ACJLOTCBSA-N 1 0 351.422 2.892 20 5 FFBDRO Cc1cc(Cc2nc(-c3ccc4c(n3)CC[NH2+]C4)no2)ccc1[N+](=O)[O-] ZINC001248385228 1040251709 /nfs/dbraw/zinc/25/17/09/1040251709.db2.gz ZCYOVJHWGSONAF-UHFFFAOYSA-N 1 0 351.366 2.585 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC001213137861 1040272506 /nfs/dbraw/zinc/27/25/06/1040272506.db2.gz JLQYMONWQMJMSZ-INIZCTEOSA-N 1 0 367.471 2.589 20 5 FFBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCCC[C@@H]1[C@H](C)C[NH+](C)C ZINC001213255346 1040379858 /nfs/dbraw/zinc/37/98/58/1040379858.db2.gz MSFAUTNSDDFTKE-UKRRQHHQSA-N 1 0 369.487 2.644 20 5 FFBDRO C[C@H](Cc1ccccc1)[N@H+](C)Cc1cn(-c2ccc(O)cc2[N+](=O)[O-])nn1 ZINC001254167027 1040593688 /nfs/dbraw/zinc/59/36/88/1040593688.db2.gz AUQNEEAULOAXTL-CQSZACIVSA-N 1 0 367.409 2.944 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CC[C@](CO)(C(F)(F)F)C3)CC2)cc1 ZINC001254475082 1040742263 /nfs/dbraw/zinc/74/22/63/1040742263.db2.gz ZYFYDPZZQGBOCM-INIZCTEOSA-N 1 0 373.375 2.810 20 5 FFBDRO COC(=O)[C@H]1CC[C@@H](C)[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254479711 1040746032 /nfs/dbraw/zinc/74/60/32/1040746032.db2.gz IPFRDRVPMWQSFN-CABCVRRESA-N 1 0 361.442 2.837 20 5 FFBDRO CC(C)CC(=O)N1CC[NH+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001254479969 1040746215 /nfs/dbraw/zinc/74/62/15/1040746215.db2.gz SFXYNJCALJVBHF-UHFFFAOYSA-N 1 0 374.485 2.754 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC001254536508 1040787247 /nfs/dbraw/zinc/78/72/47/1040787247.db2.gz PMNADMULKIRRIG-QAPCUYQASA-N 1 0 353.422 2.917 20 5 FFBDRO CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](C[NH2+][C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)[C@@H]2C1 ZINC001254572066 1040807654 /nfs/dbraw/zinc/80/76/54/1040807654.db2.gz HTDXPVUAULMMPM-DDBAPUKQSA-N 1 0 373.453 2.765 20 5 FFBDRO COc1cc(C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)cc(OC)c1OC ZINC001254574218 1040809722 /nfs/dbraw/zinc/80/97/22/1040809722.db2.gz GRXXLCMJWXZLEF-OAHLLOKOSA-N 1 0 358.394 2.878 20 5 FFBDRO O=C1CC[C@H]([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)[C@H](c2ccccc2)N1 ZINC001254580328 1040812816 /nfs/dbraw/zinc/81/28/16/1040812816.db2.gz FEAYJPGIGPKKPA-KPFFTGBYSA-N 1 0 351.406 2.672 20 5 FFBDRO O=C1Nc2cc(Cl)ccc2C[C@@H]1[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254581574 1040813932 /nfs/dbraw/zinc/81/39/32/1040813932.db2.gz OLLMVZPBJJOFHI-YOEHRIQHSA-N 1 0 357.797 2.868 20 5 FFBDRO O=C1[C@H]2C[N@H+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@H]2CN1c1ccsc1 ZINC001254593856 1040821640 /nfs/dbraw/zinc/82/16/40/1040821640.db2.gz COWWVZSBKUZGBG-WBAXXEDZSA-N 1 0 369.446 2.718 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CC3(C1)CC[N@H+](Cc1cccnc1)C3)C2 ZINC001254593918 1040822706 /nfs/dbraw/zinc/82/27/06/1040822706.db2.gz BTHJVZLWVHWAJN-HXUWFJFHSA-N 1 0 364.449 2.665 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CCc3ncnc(C4CC4)c3CC1)C2 ZINC001254596864 1040827082 /nfs/dbraw/zinc/82/70/82/1040827082.db2.gz SFHWGBMRXCSQRN-KRWDZBQOSA-N 1 0 350.422 2.830 20 5 FFBDRO CCOC[C@@H]1C[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)Cc2cn(CC)nc21 ZINC001254597137 1040827255 /nfs/dbraw/zinc/82/72/55/1040827255.db2.gz UTUUDVGPXOABHV-HKUYNNGSSA-N 1 0 370.453 2.914 20 5 FFBDRO COc1cccc(N2CC[NH+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC2)c1 ZINC001254597896 1040827802 /nfs/dbraw/zinc/82/78/02/1040827802.db2.gz IXECEYYQWSCEKR-LJQANCHMSA-N 1 0 353.422 2.893 20 5 FFBDRO COc1cccc(CN2CC[NH+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC2)c1 ZINC001254602438 1040833289 /nfs/dbraw/zinc/83/32/89/1040833289.db2.gz FWIXHWWSOMZQCJ-FQEVSTJZSA-N 1 0 367.449 2.888 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH+]1CCC(Oc3ncc(F)cn3)CC1)C2 ZINC001254606098 1040834723 /nfs/dbraw/zinc/83/47/23/1040834723.db2.gz DTVIFAZYVGPJBL-MRXNPFEDSA-N 1 0 358.373 2.535 20 5 FFBDRO O=C1OC2(CC[NH+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC2)c2cnccc21 ZINC001254606810 1040834833 /nfs/dbraw/zinc/83/48/33/1040834833.db2.gz HIEXKDSLVNUCTM-MRXNPFEDSA-N 1 0 365.389 2.619 20 5 FFBDRO CCn1c(-c2ccc([N+](=O)[O-])o2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001263021134 1042039412 /nfs/dbraw/zinc/03/94/12/1042039412.db2.gz LRDVDSAKBHLCDJ-UHFFFAOYSA-N 1 0 374.445 2.921 20 5 FFBDRO Cn1c(C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)ccc1[C@H]1CCCC[NH2+]1 ZINC001263089661 1042096136 /nfs/dbraw/zinc/09/61/36/1042096136.db2.gz OXFZUHJYGZDFDR-MRXNPFEDSA-N 1 0 354.410 2.904 20 5 FFBDRO C[NH2+]C[C@@H]1CCCCN1C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001263192680 1042161627 /nfs/dbraw/zinc/16/16/27/1042161627.db2.gz JHDUIFGBBCGWGV-AWEZNQCLSA-N 1 0 360.439 2.932 20 5 FFBDRO C[C@H]1C[NH2+][C@@H](C)[C@H](C)N1C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001263202345 1042168854 /nfs/dbraw/zinc/16/88/54/1042168854.db2.gz XKZKIJABCFUIPT-SRVKXCTJSA-N 1 0 360.439 2.929 20 5 FFBDRO C[C@@H](CNC(=O)c1cccn1C1CC[NH2+]CC1)c1ccccc1[N+](=O)[O-] ZINC001263236384 1042191348 /nfs/dbraw/zinc/19/13/48/1042191348.db2.gz MAQSCJLLHGJADW-AWEZNQCLSA-N 1 0 356.426 2.854 20 5 FFBDRO O=C(N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC001263248305 1042197814 /nfs/dbraw/zinc/19/78/14/1042197814.db2.gz ZIWFTCGIKRPFKE-YMRXKLBXSA-N 1 0 369.371 2.582 20 5 FFBDRO Cc1ccc(NC(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)cc1[N+](=O)[O-] ZINC001310095967 1043635089 /nfs/dbraw/zinc/63/50/89/1043635089.db2.gz CVOXGVHXVHWZLH-HIFRSBDPSA-N 1 0 350.444 2.605 20 5 FFBDRO C[NH+](C)CC[C@H](NC(=O)NCCc1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC001311660245 1043956642 /nfs/dbraw/zinc/95/66/42/1043956642.db2.gz BOASQQCYCXWXNW-SFHVURJKSA-N 1 0 371.441 2.525 20 5 FFBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[NH+](C(C)(C)C)CC1 ZINC001319311110 1045106246 /nfs/dbraw/zinc/10/62/46/1045106246.db2.gz MWFLYBITTUTETH-LBPRGKRZSA-N 1 0 368.865 2.991 20 5 FFBDRO CC(C)CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1 ZINC001281789638 1045134453 /nfs/dbraw/zinc/13/44/53/1045134453.db2.gz HBQDMCNXFVSAPZ-IAGOWNOFSA-N 1 0 351.491 2.792 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]CCN2CCC(CO)CC2)c2ccccc2)c1 ZINC001319903182 1045298641 /nfs/dbraw/zinc/29/86/41/1045298641.db2.gz FITIBBPUQGCNOC-OAQYLSRUSA-N 1 0 369.465 2.978 20 5 FFBDRO C[C@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001539740253 1070690619 /nfs/dbraw/zinc/69/06/19/1070690619.db2.gz XKFXFTQWEGBMPH-STQMWFEESA-N 1 0 363.414 2.658 20 5 FFBDRO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC001324123627 1045879001 /nfs/dbraw/zinc/87/90/01/1045879001.db2.gz CAANRIMCZMBXLR-ZIAGYGMSSA-N 1 0 370.247 2.960 20 5 FFBDRO C/C=C/C=C/C(=O)N(C)c1cc([N+](=O)[O-])cc(N2CC[NH+](CC)CC2)c1 ZINC001287672227 1047337432 /nfs/dbraw/zinc/33/74/32/1047337432.db2.gz YDARHZCXMIHPTG-GFGVWQOPSA-N 1 0 358.442 2.832 20 5 FFBDRO COc1ccc(CCN[C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)cn1 ZINC001331314131 1047857903 /nfs/dbraw/zinc/85/79/03/1047857903.db2.gz GEPTVPHLKNDTAN-GOSISDBHSA-N 1 0 367.409 2.654 20 5 FFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(CCC[NH3+])CC(F)(F)F ZINC001331350772 1047883324 /nfs/dbraw/zinc/88/33/24/1047883324.db2.gz QJUWWJGGGRHKSY-SNVBAGLBSA-N 1 0 365.377 2.815 20 5 FFBDRO COC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Br)C1CCOCC1 ZINC001327538332 1047939643 /nfs/dbraw/zinc/93/96/43/1047939643.db2.gz QKWWIYLKOUWPNU-OAHLLOKOSA-N 1 0 373.247 2.889 20 5 FFBDRO CN1CCOC[C@@H]1C[NH2+]Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001331520334 1047982580 /nfs/dbraw/zinc/98/25/80/1047982580.db2.gz KRNKEEXLFJEQJH-ZDUSSCGKSA-N 1 0 365.817 2.928 20 5 FFBDRO O=C(c1c(Br)cccc1[N+](=O)[O-])N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001331555092 1048001351 /nfs/dbraw/zinc/00/13/51/1048001351.db2.gz VCNXBYBXKDPAMC-LLVKDONJSA-N 1 0 368.231 2.668 20 5 FFBDRO CC1(C)[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)[C@H]2CCC[NH2+][C@H]21 ZINC001332013788 1048211844 /nfs/dbraw/zinc/21/18/44/1048211844.db2.gz RUIXPMLHWNYAEZ-BMGDILEWSA-N 1 0 372.469 2.701 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCN1C(=O)COc2ccccc21 ZINC001333320131 1048835015 /nfs/dbraw/zinc/83/50/15/1048835015.db2.gz ATEIHCGPGHIVII-ZDUSSCGKSA-N 1 0 371.393 2.680 20 5 FFBDRO COC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Br)[C@@H]1CCCOC1 ZINC001333630730 1049016773 /nfs/dbraw/zinc/01/67/73/1049016773.db2.gz JNEWYLJOKNSNHW-IUODEOHRSA-N 1 0 373.247 2.889 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)c2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])[C@H](C)C1 ZINC001333706603 1049067726 /nfs/dbraw/zinc/06/77/26/1049067726.db2.gz KAQGKDNDLBUIAW-HIFRSBDPSA-N 1 0 358.442 2.613 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@@H]3c3cccc([N+](=O)[O-])c3)C[C@H]2C1 ZINC001333928661 1049172136 /nfs/dbraw/zinc/17/21/36/1049172136.db2.gz KRUNVKIGAQXEBF-BQUOXIOCSA-N 1 0 357.454 2.887 20 5 FFBDRO COc1ccc(Cl)cc1CC[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC001330608477 1049228325 /nfs/dbraw/zinc/22/83/25/1049228325.db2.gz PXRBKPIBCYOSAW-UHFFFAOYSA-N 1 0 350.806 2.989 20 5 FFBDRO CC(C)NC(=O)c1ccc(N2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC001334336519 1049378161 /nfs/dbraw/zinc/37/81/61/1049378161.db2.gz OFJVALZUDWCNHZ-YESZJQIVSA-N 1 0 374.485 2.900 20 5 FFBDRO O=C(CC[C@H]1CCC[NH2+]C1)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC001330961927 1049413081 /nfs/dbraw/zinc/41/30/81/1049413081.db2.gz VDCBLMDFDNZXMX-LLVKDONJSA-N 1 0 370.247 2.753 20 5 FFBDRO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC001331007924 1049436385 /nfs/dbraw/zinc/43/63/85/1049436385.db2.gz OXIITRYMFNDFRH-IBGZPJMESA-N 1 0 358.442 2.775 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@]34C[N@H+](C)C[C@@]3(C2)CCCC4)c1 ZINC001307234540 1050255115 /nfs/dbraw/zinc/25/51/15/1050255115.db2.gz NXEUBJRGVPGZOB-KDURUIRLSA-N 1 0 359.426 2.694 20 5 FFBDRO C[C@H]1[NH2+]CCn2c(C(=O)N(Cc3ccc([N+](=O)[O-])cc3)C3CC3)ccc21 ZINC001340180382 1050586304 /nfs/dbraw/zinc/58/63/04/1050586304.db2.gz NDSLLYIJWYEROS-CYBMUJFWSA-N 1 0 354.410 2.865 20 5 FFBDRO C[NH+](C)[C@@H]1C[C@H](NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1(C)C ZINC001299820290 1050615178 /nfs/dbraw/zinc/61/51/78/1050615178.db2.gz DUCUUNNNJNXVGO-UONOGXRCSA-N 1 0 357.813 2.775 20 5 FFBDRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H](C)[N+](=O)[O-])n2Cc2ccccc2)C[C@H]1C ZINC001342144906 1050739378 /nfs/dbraw/zinc/73/93/78/1050739378.db2.gz OVQZCUWABBTDJB-PMPSAXMXSA-N 1 0 372.473 2.583 20 5 FFBDRO Cc1ccc(CNC(=O)N2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC001340493060 1050891504 /nfs/dbraw/zinc/89/15/04/1050891504.db2.gz ZDJYOFPXOBBTEX-BBWFWOEESA-N 1 0 360.458 2.775 20 5 FFBDRO C[C@@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC001301485429 1050904329 /nfs/dbraw/zinc/90/43/29/1050904329.db2.gz ZDEXBZVXNIEXJC-YOEHRIQHSA-N 1 0 373.457 2.523 20 5 FFBDRO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)CCc1ccc([N+](=O)[O-])cc1Cl)C2 ZINC001340542248 1050932341 /nfs/dbraw/zinc/93/23/41/1050932341.db2.gz XDXDXHWQPHFGQY-GUYCJALGSA-N 1 0 351.834 2.768 20 5 FFBDRO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC001301878152 1051009047 /nfs/dbraw/zinc/00/90/47/1051009047.db2.gz BMAFVEBQPORVRG-WMLDXEAASA-N 1 0 368.437 2.817 20 5 FFBDRO Cc1c(C(=O)N2CC3(C2)C[NH+](Cc2ccccc2)C3)cccc1[N+](=O)[O-] ZINC001302378923 1051101919 /nfs/dbraw/zinc/10/19/19/1051101919.db2.gz FFAWNAQUNHBCPS-UHFFFAOYSA-N 1 0 351.406 2.861 20 5 FFBDRO CCOc1ccc(C(=O)N2C[C@H](C[NH3+])Cc3cc(F)ccc32)cc1[N+](=O)[O-] ZINC001342534204 1051138118 /nfs/dbraw/zinc/13/81/18/1051138118.db2.gz CDJRANVDAPUINO-LBPRGKRZSA-N 1 0 373.384 2.910 20 5 FFBDRO CCn1c(-c2c[nH]c([N+](=O)[O-])c2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001342736976 1051353049 /nfs/dbraw/zinc/35/30/49/1051353049.db2.gz ZQIDRLLFKPPZHL-CQSZACIVSA-N 1 0 373.461 2.514 20 5 FFBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC001342741912 1051358530 /nfs/dbraw/zinc/35/85/30/1051358530.db2.gz UYELWPRKEFTGCS-AWEZNQCLSA-N 1 0 360.458 2.878 20 5 FFBDRO COc1cc(C(=O)N2CC[N@H+](C3CCCC3)[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC001303540295 1051379482 /nfs/dbraw/zinc/37/94/82/1051379482.db2.gz OQYBTJCQUBSPOW-LBPRGKRZSA-N 1 0 365.405 2.831 20 5 FFBDRO O=C(Nc1cc([N+](=O)[O-])n[nH]1)[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC001303575513 1051392779 /nfs/dbraw/zinc/39/27/79/1051392779.db2.gz ZOZQWTIKWJCQDU-CQSZACIVSA-N 1 0 355.398 2.559 20 5 FFBDRO C[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H]1C)[NH+](C)C ZINC001303697108 1051427245 /nfs/dbraw/zinc/42/72/45/1051427245.db2.gz WDXRYJHSILMJCP-ZIAGYGMSSA-N 1 0 358.446 2.792 20 5 FFBDRO Cc1c(CC(=O)N[C@H]2C[C@@](C[NH3+])(c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC001342859604 1051468896 /nfs/dbraw/zinc/46/88/96/1051468896.db2.gz OHNNRACTNXYVAW-MSEWRSJXSA-N 1 0 353.422 2.621 20 5 FFBDRO C[C@]([NH3+])(C(=O)NC[C@@H]1C[C@H]1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC001342880552 1051490217 /nfs/dbraw/zinc/49/02/17/1051490217.db2.gz JZPNDUNVWONXOX-GQIGUUNPSA-N 1 0 353.422 2.764 20 5 FFBDRO C[C@@H]1C[NH2+][C@@H](C)[C@H](C)N1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001341145771 1051495956 /nfs/dbraw/zinc/49/59/56/1051495956.db2.gz RJLSLRGSABQCSK-WOPDTQHZSA-N 1 0 360.439 2.929 20 5 FFBDRO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCCC[C@@]12CCC[NH2+]C2 ZINC001342899444 1051509392 /nfs/dbraw/zinc/50/93/92/1051509392.db2.gz XCOBPAVVEKDLCL-IBGZPJMESA-N 1 0 358.442 2.917 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)NCCc3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC001343139122 1051761812 /nfs/dbraw/zinc/76/18/12/1051761812.db2.gz JCCOQBYITVDPMV-YESZJQIVSA-N 1 0 360.458 2.509 20 5 FFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)OC[C@@H]2CC[N@@H+]2C2CCOCC2)c1 ZINC001344928320 1052139010 /nfs/dbraw/zinc/13/90/10/1052139010.db2.gz CZFKRLQMCNMYDI-ZDUSSCGKSA-N 1 0 366.439 2.727 20 5 FFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](C[C@@H]3COC4(CCCCC4)O3)C2)nc1 ZINC001307544198 1052319541 /nfs/dbraw/zinc/31/95/41/1052319541.db2.gz DPRQZOCNYYDXKJ-GDBMZVCRSA-N 1 0 362.430 2.552 20 5 FFBDRO Cn1cc(C[NH2+][C@@H](CNC(=O)OC(C)(C)C)C2CCCC2)c([N+](=O)[O-])n1 ZINC001307728727 1052342105 /nfs/dbraw/zinc/34/21/05/1052342105.db2.gz SPOOKSZQOOYBGE-AWEZNQCLSA-N 1 0 367.450 2.501 20 5 FFBDRO CC(C)Cn1c(C[N+](=O)[O-])nnc1N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC001343631806 1052346980 /nfs/dbraw/zinc/34/69/80/1052346980.db2.gz SEHUZJATWCQCBO-INIZCTEOSA-N 1 0 372.473 2.594 20 5 FFBDRO Cc1c(C[N@@H+]2C[C@H]3COC[C@@]3(C(=O)OC(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC001307917503 1052366695 /nfs/dbraw/zinc/36/66/95/1052366695.db2.gz KJZVSBRSNILLLB-KXBFYZLASA-N 1 0 362.426 2.693 20 5 FFBDRO O=C(NCC[C@H]1CCC[NH2+]CC1)c1c(Br)cccc1[N+](=O)[O-] ZINC001343676343 1052369189 /nfs/dbraw/zinc/36/91/89/1052369189.db2.gz LBVDTKNQAGDWGA-NSHDSACASA-N 1 0 370.247 2.867 20 5 FFBDRO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC001307986407 1052376444 /nfs/dbraw/zinc/37/64/44/1052376444.db2.gz GGPADQXMNNINOX-UONOGXRCSA-N 1 0 365.430 2.961 20 5 FFBDRO C[C@@H]([NH2+][C@@H](C)C(=O)NC(=O)NC1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC001308069832 1052398313 /nfs/dbraw/zinc/39/83/13/1052398313.db2.gz GKPBJAWCWYBFCY-OLZOCXBDSA-N 1 0 362.430 2.792 20 5 FFBDRO CC[C@H]1CCC[C@H]([NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001308265052 1052439237 /nfs/dbraw/zinc/43/92/37/1052439237.db2.gz XEJSLYVNJRQELZ-GJZGRUSLSA-N 1 0 369.487 2.822 20 5 FFBDRO CC1(C)CCC[C@H](C[NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC001308263695 1052439870 /nfs/dbraw/zinc/43/98/70/1052439870.db2.gz CVMHIXATCIIBRH-AWEZNQCLSA-N 1 0 369.487 2.679 20 5 FFBDRO CC(C)(C)OC(=O)NCC(C)(C)CN(CC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC001308740862 1052493027 /nfs/dbraw/zinc/49/30/27/1052493027.db2.gz MXJGLCBRPKHINM-UHFFFAOYSA-N 1 0 366.462 2.911 20 5 FFBDRO O=C(N1CCCC1)N1CCC[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC001308760057 1052496223 /nfs/dbraw/zinc/49/62/23/1052496223.db2.gz PZGGVHYDRKJDLY-CYBMUJFWSA-N 1 0 373.413 2.506 20 5 FFBDRO O=[N+]([O-])c1ccc(C(F)(F)F)cc1N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC001346068356 1052731386 /nfs/dbraw/zinc/73/13/86/1052731386.db2.gz MPDVNYXPZIHNJX-CHWSQXEVSA-N 1 0 359.348 2.649 20 5 FFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@H]2C1 ZINC001334831231 1053103506 /nfs/dbraw/zinc/10/35/06/1053103506.db2.gz FXYWOUZTCYATKT-KKUMJFAQSA-N 1 0 361.442 2.796 20 5 FFBDRO COc1ccc([C@H](CN(C)C)[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC001335414554 1053347607 /nfs/dbraw/zinc/34/76/07/1053347607.db2.gz YUXPQRAPGUFFDG-OALUTQOASA-N 1 0 359.426 2.529 20 5 FFBDRO CCc1csc([C@H](C)[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])n1 ZINC001336034109 1053720793 /nfs/dbraw/zinc/72/07/93/1053720793.db2.gz DNZFGBOMECQTDN-WCQYABFASA-N 1 0 351.428 2.704 20 5 FFBDRO O=C1C[C@H](Oc2ccc([N+](=O)[O-])cc2)N1CN1CCC[C@@H](CCF)C1 ZINC001347239007 1053748130 /nfs/dbraw/zinc/74/81/30/1053748130.db2.gz TWKOMCRUXTUNNF-GUYCJALGSA-N 1 0 351.378 2.561 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@]23C[N@H+](C)C[C@@]2(C1)CCCC3 ZINC001336293171 1053905028 /nfs/dbraw/zinc/90/50/28/1053905028.db2.gz ARWCZARLTNOZKQ-KDURUIRLSA-N 1 0 359.426 2.551 20 5 FFBDRO Cc1cccc(C)c1OC[C@H](O)C[NH2+]CCNc1ccc([N+](=O)[O-])cc1 ZINC001336704523 1054151304 /nfs/dbraw/zinc/15/13/04/1054151304.db2.gz UKNYTHJSBQBGLQ-GOSISDBHSA-N 1 0 359.426 2.653 20 5 FFBDRO CC[NH+](CC)CC[C@H](C)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC001347662271 1054203022 /nfs/dbraw/zinc/20/30/22/1054203022.db2.gz UWRVDZNCFVJYKX-NSHDSACASA-N 1 0 352.391 2.662 20 5 FFBDRO Cc1ccc([C@@H](C)C(=O)Nc2cc(N3CC[NH+](C)CC3)ccc2[N+](=O)[O-])o1 ZINC001337704185 1054958781 /nfs/dbraw/zinc/95/87/81/1054958781.db2.gz OWUBIEATLXJTAU-CQSZACIVSA-N 1 0 372.425 2.990 20 5 FFBDRO Cc1nn(C[N@H+](C)CCc2ccc3c(c2)OCO3)c2ncc([N+](=O)[O-])cc12 ZINC001337779490 1055012861 /nfs/dbraw/zinc/01/28/61/1055012861.db2.gz JCAXISXMMOHOBB-UHFFFAOYSA-N 1 0 369.381 2.509 20 5 FFBDRO Cc1c(C(=O)O[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])ccc2c[nH+]cn21 ZINC001337873539 1055077271 /nfs/dbraw/zinc/07/72/71/1055077271.db2.gz HXIAUHYWLBWVCT-GFCCVEGCSA-N 1 0 368.349 2.735 20 5 FFBDRO Cc1cc([C@@H]([NH3+])CC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)cc(Cl)n1 ZINC001349109870 1055100170 /nfs/dbraw/zinc/10/01/70/1055100170.db2.gz BTGSNAAPUKTYKS-HNNXBMFYSA-N 1 0 360.801 2.884 20 5 FFBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)c3sccc3F)c2)CC1 ZINC001338335039 1055427765 /nfs/dbraw/zinc/42/77/65/1055427765.db2.gz JAYGNGIQHMWTJQ-UHFFFAOYSA-N 1 0 364.402 2.800 20 5 FFBDRO O=C(NCC12CCC[NH+](CCC1)C2)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC001352475763 1055509541 /nfs/dbraw/zinc/50/95/41/1055509541.db2.gz ULSVRCAOCAWXKN-UHFFFAOYSA-N 1 0 372.469 2.801 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C(c2cccs2)c2cccs2)c1 ZINC001356535652 1055562585 /nfs/dbraw/zinc/56/25/85/1055562585.db2.gz VAZQFVMUNKNOQV-GFCCVEGCSA-N 1 0 364.452 2.654 20 5 FFBDRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3csc([N+](=O)[O-])c3)n2C)C1 ZINC001350402694 1055757698 /nfs/dbraw/zinc/75/76/98/1055757698.db2.gz UDXSHIVGVOKJQP-LBPRGKRZSA-N 1 0 364.475 2.620 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC001353176940 1056154624 /nfs/dbraw/zinc/15/46/24/1056154624.db2.gz ZZIJRBFGUDDSDT-IBGZPJMESA-N 1 0 354.410 2.749 20 5 FFBDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC001544801426 1071694207 /nfs/dbraw/zinc/69/42/07/1071694207.db2.gz SPAKQZFAUQTZLQ-GFCCVEGCSA-N 1 0 354.838 2.777 20 5 FFBDRO C[C@H](CNC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)C[NH+]1CCCCC1 ZINC001544876649 1071706214 /nfs/dbraw/zinc/70/62/14/1071706214.db2.gz ASWRKOMVSALZPI-CQSZACIVSA-N 1 0 371.441 2.837 20 5 FFBDRO COc1cccc(C(=O)N2CCN[C@H](c3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC001353791201 1058224490 /nfs/dbraw/zinc/22/44/90/1058224490.db2.gz ZGSOJEDAYGPBRC-HNNXBMFYSA-N 1 0 359.357 2.529 20 5 FFBDRO CCC(CC)C[N@H+](CC1CC1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001499526354 1058338997 /nfs/dbraw/zinc/33/89/97/1058338997.db2.gz SPTLESXPSCSPNR-QZTJIDSGSA-N 1 0 351.491 2.791 20 5 FFBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC001444843862 1058342279 /nfs/dbraw/zinc/34/22/79/1058342279.db2.gz COGBYEWRCGFKBC-JTQLQIEISA-N 1 0 372.828 2.916 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)n1 ZINC001518643023 1058449183 /nfs/dbraw/zinc/44/91/83/1058449183.db2.gz PFGIARDXZYANQE-ZBFHGGJFSA-N 1 0 354.410 2.864 20 5 FFBDRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl)[NH+](C)C ZINC001447827720 1058712485 /nfs/dbraw/zinc/71/24/85/1058712485.db2.gz ZCIYLERDIAFIGS-YGRLFVJLSA-N 1 0 365.821 2.701 20 5 FFBDRO CCO[C@@H]1COCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Br ZINC001354635479 1059292618 /nfs/dbraw/zinc/29/26/18/1059292618.db2.gz PMIWTXSCOXXROR-UONOGXRCSA-N 1 0 359.220 2.641 20 5 FFBDRO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)NC[C@H]1C[NH2+]CCC1(F)F ZINC001354643448 1059303496 /nfs/dbraw/zinc/30/34/96/1059303496.db2.gz AQXRVQIWMODCJQ-LLVKDONJSA-N 1 0 361.776 2.542 20 5 FFBDRO Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)Cc3ccc(F)cc3[N+](=O)[O-])C2)cc1 ZINC001455009349 1059669635 /nfs/dbraw/zinc/66/96/35/1059669635.db2.gz MOHLCEAJHNMULN-SFHVURJKSA-N 1 0 371.412 2.976 20 5 FFBDRO O=C(NCC[C@H]1CCC[NH2+]CC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC001515771582 1059787986 /nfs/dbraw/zinc/78/79/86/1059787986.db2.gz COYNWIYYNVCAEJ-NSHDSACASA-N 1 0 370.247 2.867 20 5 FFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC[C@@H]1CCC[NH2+]CC1 ZINC001515773221 1059788217 /nfs/dbraw/zinc/78/82/17/1059788217.db2.gz OEBXMDRCIVXTGH-UONOGXRCSA-N 1 0 351.472 2.971 20 5 FFBDRO COC(=O)C[C@@H]1CCCCN1Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000848475180 1060090923 /nfs/dbraw/zinc/09/09/23/1060090923.db2.gz KQCOTSHZKDMANR-HNNXBMFYSA-N 1 0 358.398 2.833 20 5 FFBDRO O=[N+]([O-])c1ccccc1-c1cnn(C[N@@H+]2CCC[C@H](C3OCCO3)C2)c1 ZINC000848479253 1060107448 /nfs/dbraw/zinc/10/74/48/1060107448.db2.gz VERLBCNACQQREF-AWEZNQCLSA-N 1 0 358.398 2.501 20 5 FFBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C1 ZINC000848483140 1060121353 /nfs/dbraw/zinc/12/13/53/1060121353.db2.gz YUPQNXYUUYPKQJ-CRAIPNDOSA-N 1 0 355.442 2.832 20 5 FFBDRO O=C1[C@H](c2ccc([N+](=O)[O-])cc2)CCN1CN1CC[C@H](c2ccccn2)C1 ZINC000848487806 1060138793 /nfs/dbraw/zinc/13/87/93/1060138793.db2.gz XLFLJOFZAUPGIC-WMZOPIPTSA-N 1 0 366.421 2.753 20 5 FFBDRO Cc1ccc(NC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)c(N)c1[N+](=O)[O-] ZINC001456751980 1060189173 /nfs/dbraw/zinc/18/91/73/1060189173.db2.gz SSRAGLZQKJZIRX-HNNXBMFYSA-N 1 0 354.410 2.946 20 5 FFBDRO Cc1nnc(N(C)CCc2ccccc2[N+](=O)[O-])n1CC[N@H+]1CCC[C@@H]1C ZINC001511792687 1060414192 /nfs/dbraw/zinc/41/41/92/1060414192.db2.gz DOXGNTPHNCAQFC-HNNXBMFYSA-N 1 0 372.473 2.658 20 5 FFBDRO O=[N+]([O-])c1cnc2ccccc2c1N1CC[NH2+][C@@H](c2ccc(O)cc2)C1 ZINC001458563791 1060624440 /nfs/dbraw/zinc/62/44/40/1060624440.db2.gz MCRZZWNEWDGBQK-QGZVFWFLSA-N 1 0 350.378 3.000 20 5 FFBDRO O=C1OCCN1c1cc([N+](=O)[O-])ccc1N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000848784345 1060689884 /nfs/dbraw/zinc/68/98/84/1060689884.db2.gz ZIZRZWZLSWGIJR-HOCLYGCPSA-N 1 0 360.414 2.980 20 5 FFBDRO CCC(CC)(CC(=O)OC)[NH2+]Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001459720873 1060801272 /nfs/dbraw/zinc/80/12/72/1060801272.db2.gz SXNFNRRUVIQZNY-UHFFFAOYSA-N 1 0 362.386 2.856 20 5 FFBDRO COc1cc2c(cc1OC)[C@H](C1CC1)[N@H+](CCn1ccc([N+](=O)[O-])n1)CC2 ZINC001460755520 1061089670 /nfs/dbraw/zinc/08/96/70/1061089670.db2.gz ARIUKINNWSFUMP-IBGZPJMESA-N 1 0 372.425 2.818 20 5 FFBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC001476520639 1061426111 /nfs/dbraw/zinc/42/61/11/1061426111.db2.gz DDJPHNYNPVRNPM-LLVKDONJSA-N 1 0 371.235 2.881 20 5 FFBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)N[C@@H]3CCC[C@@H]4C[C@@H]43)c2)CC1 ZINC001477130679 1061593296 /nfs/dbraw/zinc/59/32/96/1061593296.db2.gz SOOMYMRHRVKXRW-VNQPRFMTSA-N 1 0 373.457 2.657 20 5 FFBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CC[C@@H](C[NH3+])[C@H](C)C2)CC1 ZINC001523028707 1062362984 /nfs/dbraw/zinc/36/29/84/1062362984.db2.gz QAQOFMKSADQKBV-CVEARBPZSA-N 1 0 374.485 2.888 20 5 FFBDRO C[C@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC001437872602 1062921620 /nfs/dbraw/zinc/92/16/20/1062921620.db2.gz NXLIDCOWUQOUFO-HOTGVXAUSA-N 1 0 362.474 2.752 20 5 FFBDRO Cc1cc(C)c(C[N@H+](CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C2CC2)c(C)c1 ZINC001479868689 1063008962 /nfs/dbraw/zinc/00/89/62/1063008962.db2.gz KGHUGXRKFUGGGN-IEBWSBKVSA-N 1 0 359.470 2.748 20 5 FFBDRO CCC[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ccc2ccccc2c1 ZINC001493291399 1063128843 /nfs/dbraw/zinc/12/88/43/1063128843.db2.gz QPYLLOPLTVMKJI-RTBURBONSA-N 1 0 355.438 2.833 20 5 FFBDRO CC1CC[NH+](CC[C@@H]2CCCN2C(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC001465946147 1063273867 /nfs/dbraw/zinc/27/38/67/1063273867.db2.gz YDBLGNPSWMAIHL-HNNXBMFYSA-N 1 0 361.446 2.530 20 5 FFBDRO C[NH+]1CCC(C)(CNC(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)CC1 ZINC001466316263 1063392724 /nfs/dbraw/zinc/39/27/24/1063392724.db2.gz NHLCSMALQZFJIN-UHFFFAOYSA-N 1 0 356.426 2.792 20 5 FFBDRO CCOc1cc(NC(=O)N2CC[NH+]([C@H](C)CC)CC2)ccc1[N+](=O)[O-] ZINC001467002986 1063614584 /nfs/dbraw/zinc/61/45/84/1063614584.db2.gz ZTGUXIOXZZKIJK-CYBMUJFWSA-N 1 0 350.419 2.942 20 5 FFBDRO CC[N@@H+]1CCCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC001468766699 1064035428 /nfs/dbraw/zinc/03/54/28/1064035428.db2.gz LQQWJRZAKPLBSC-ZDUSSCGKSA-N 1 0 369.849 2.960 20 5 FFBDRO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001470781684 1064448590 /nfs/dbraw/zinc/44/85/90/1064448590.db2.gz XYPKRKSYSRHBEO-KUHUBIRLSA-N 1 0 368.437 2.817 20 5 FFBDRO CC1CC[NH+](CC[C@@H]2CCCN2C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC001471155877 1064581927 /nfs/dbraw/zinc/58/19/27/1064581927.db2.gz BEPAJGIWFZSTSV-INIZCTEOSA-N 1 0 360.458 2.904 20 5 FFBDRO CC1(C)CC(Nc2cc(F)c(-c3nn[nH]n3)cc2[N+](=O)[O-])CC(C)(C)[NH2+]1 ZINC001575640506 1078159681 /nfs/dbraw/zinc/15/96/81/1078159681.db2.gz HWMMVMUZEUMGHG-UHFFFAOYSA-N 1 0 363.397 2.635 20 5 FFBDRO C[NH+](C)[C@@H]1[C@H]2CN(c3ccc([N+](=O)[O-])cc3C(=O)c3ccccc3)C[C@H]21 ZINC001472781536 1065145266 /nfs/dbraw/zinc/14/52/66/1065145266.db2.gz JTKHHMOFSCQSMN-DZFIZOCASA-N 1 0 351.406 2.822 20 5 FFBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H](O)COc1ccc2cc[nH]c2c1 ZINC001473415885 1065259287 /nfs/dbraw/zinc/25/92/87/1065259287.db2.gz FWDCBPNGHIIWTE-GOSISDBHSA-N 1 0 369.421 2.990 20 5 FFBDRO COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001474742341 1065595214 /nfs/dbraw/zinc/59/52/14/1065595214.db2.gz NXSMVCLLIHZMIK-NFAWXSAZSA-N 1 0 363.414 2.633 20 5 FFBDRO C[C@@H]1CC[C@H](C[NH3+])N(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])[C@H]1C ZINC001576649916 1078256671 /nfs/dbraw/zinc/25/66/71/1078256671.db2.gz VEVACAJGKZMHSA-JFGNBEQYSA-N 1 0 357.813 2.904 20 5 FFBDRO CC[C@H]([NH3+])Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H]2CCC[C@@H]21 ZINC001577129356 1078307150 /nfs/dbraw/zinc/30/71/50/1078307150.db2.gz WFJHMOFKAPNNBI-DZKIICNBSA-N 1 0 356.430 2.579 20 5 FFBDRO CC/C=C\Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](C[NH3+])C1 ZINC001577312716 1078335936 /nfs/dbraw/zinc/33/59/36/1078335936.db2.gz LFPQETDDJVQUNO-VQTKUKTRSA-N 1 0 356.430 2.605 20 5 FFBDRO COc1c(C(=O)N2CCCc3cc(CC[NH3+])ccc32)cccc1[N+](=O)[O-] ZINC001579135222 1078573235 /nfs/dbraw/zinc/57/32/35/1078573235.db2.gz VOQAUPXKADDAGF-UHFFFAOYSA-N 1 0 355.394 2.698 20 5 FFBDRO [NH3+]C[C@@]12CC[C@@H]1CCCN2C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001580249855 1078773987 /nfs/dbraw/zinc/77/39/87/1078773987.db2.gz DBFNSBCKSFFJAU-BONVTDFDSA-N 1 0 357.332 2.957 20 5 FFBDRO [NH3+]C[C@@]12CC[C@@H]1CCCN2C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC001580250965 1078774910 /nfs/dbraw/zinc/77/49/10/1078774910.db2.gz XYKXQTYTQRSELD-ZBEGNZNMSA-N 1 0 355.341 2.540 20 5 FFBDRO O=C(CSc1ccccc1[N+](=O)[O-])Nc1ccnc([C@@H]2CCC[NH2+]2)n1 ZINC001580564445 1078827061 /nfs/dbraw/zinc/82/70/61/1078827061.db2.gz ASSFDDIIBVPOTH-NSHDSACASA-N 1 0 359.411 2.540 20 5 FFBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1cccc2c1CC[NH2+]C2 ZINC001580565872 1078828114 /nfs/dbraw/zinc/82/81/14/1078828114.db2.gz BPNJAVGRVIRYND-UHFFFAOYSA-N 1 0 350.378 2.903 20 5 FFBDRO C[C@H]1CN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CCN1c1cc[nH+]cc1 ZINC001583521091 1079227614 /nfs/dbraw/zinc/22/76/14/1079227614.db2.gz PGJQFDHIYREQNM-QZDDGCDVSA-N 1 0 352.394 2.740 20 5 FFBDRO CNc1nccc(C(=O)Nc2cccc3c2C[N@@H+](C2CC2)C3)c1[N+](=O)[O-] ZINC001556070674 1075697184 /nfs/dbraw/zinc/69/71/84/1075697184.db2.gz JHCLYJFZWFNSIV-UHFFFAOYSA-N 1 0 353.382 2.762 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)n1 ZINC001556897481 1075786965 /nfs/dbraw/zinc/78/69/65/1075786965.db2.gz LYDAPZQLQGEOOV-WMLDXEAASA-N 1 0 354.410 2.691 20 5 FFBDRO C[NH+]1C[C@@]2(C)CN(C(=O)C3(c4ccc([N+](=O)[O-])cc4)CCC3)C[C@]2(C)C1 ZINC001557740847 1075882780 /nfs/dbraw/zinc/88/27/80/1075882780.db2.gz CVPYQSZHNXMPHO-OALUTQOASA-N 1 0 357.454 2.817 20 5 FFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001557871818 1075904310 /nfs/dbraw/zinc/90/43/10/1075904310.db2.gz VGWSLHFPDUTJLG-INIZCTEOSA-N 1 0 369.421 2.650 20 5 FFBDRO C[NH+]1CCC(CCNc2c3cc([N+](=O)[O-])ccc3ncc2[N+](=O)[O-])CC1 ZINC001559088845 1076124166 /nfs/dbraw/zinc/12/41/66/1076124166.db2.gz PUMBQLYNCQMUOS-UHFFFAOYSA-N 1 0 359.386 2.617 20 5 FFBDRO CCOc1cc(C[N@H+](CCC(=O)OC)C[C@H]2CCCO2)ccc1[N+](=O)[O-] ZINC001559546081 1076171543 /nfs/dbraw/zinc/17/15/43/1076171543.db2.gz NMNRICYMVFDZND-OAHLLOKOSA-N 1 0 366.414 2.538 20 5 FFBDRO CC(C)[C@@H](CCO)[NH2+]Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001559734959 1076186083 /nfs/dbraw/zinc/18/60/83/1076186083.db2.gz BEQLCQOEVQWGBL-GFCCVEGCSA-N 1 0 354.794 2.795 20 5 FFBDRO O=C1NCCN1CC[NH2+]Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001560592337 1076282288 /nfs/dbraw/zinc/28/22/88/1076282288.db2.gz HQTPBHHADASYDC-UHFFFAOYSA-N 1 0 364.789 2.623 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC001561699926 1076409228 /nfs/dbraw/zinc/40/92/28/1076409228.db2.gz GBWWIQGQLYTJAI-JKSUJKDBSA-N 1 0 367.471 2.507 20 5 FFBDRO O=C(NCCC[N@H+](Cc1ccc(F)c(Cl)c1)C1CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001566587758 1076969259 /nfs/dbraw/zinc/96/92/59/1076969259.db2.gz QWPGMHOJHUEULJ-CZUORRHYSA-N 1 0 369.824 2.615 20 5 FFBDRO CCCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC001566697478 1076975338 /nfs/dbraw/zinc/97/53/38/1076975338.db2.gz AXKKLKVBPFSURH-QZTJIDSGSA-N 1 0 363.433 2.694 20 5 FFBDRO O=C(NC/C=C\C[NH2+]Cc1ccc(C2CCCC2)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001568847930 1077113874 /nfs/dbraw/zinc/11/38/74/1077113874.db2.gz BRYOGUQCAFBCDH-IFEVLTCRSA-N 1 0 357.454 2.771 20 5 FFBDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC001586420034 1079623939 /nfs/dbraw/zinc/62/39/39/1079623939.db2.gz CTYKYVLHBBELSR-CYBMUJFWSA-N 1 0 353.850 2.981 20 5 FFBDRO CCc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])cc(C)n2)[NH+](C)C)cc1 ZINC001587436109 1079791537 /nfs/dbraw/zinc/79/15/37/1079791537.db2.gz HGPQSQLLGZLYGT-SFHVURJKSA-N 1 0 356.426 2.893 20 5 FFBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@H](CC(C)C)[NH+](C)C)cc1OC ZINC000042585446 249392731 /nfs/dbraw/zinc/39/27/31/249392731.db2.gz RICQUXLUQXLTRN-ZDUSSCGKSA-N 1 0 367.446 2.708 20 5 FFBDRO C[C@@H]1C[C@@H]([N@H+](C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCN1C ZINC000093643727 250037962 /nfs/dbraw/zinc/03/79/62/250037962.db2.gz HMVXHNNZSXELAV-KDOFPFPSSA-N 1 0 357.458 2.910 20 5 FFBDRO CN1CCO[C@@H](C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000105471000 250214377 /nfs/dbraw/zinc/21/43/77/250214377.db2.gz PBKXVWVSEXRUNH-AWEZNQCLSA-N 1 0 365.817 2.928 20 5 FFBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000285704534 257000537 /nfs/dbraw/zinc/00/05/37/257000537.db2.gz WCMFPMPFWJWKCZ-CJNGLKHVSA-N 1 0 357.414 2.703 20 5 FFBDRO COCc1cc([N+](=O)[O-])ccc1NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000181144203 251248613 /nfs/dbraw/zinc/24/86/13/251248613.db2.gz YUVIOUJOIVICFJ-IBGZPJMESA-N 1 0 371.437 2.920 20 5 FFBDRO CCCc1n[nH]c(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000264603988 251321670 /nfs/dbraw/zinc/32/16/70/251321670.db2.gz KWXGZPMKONXLMZ-HNNXBMFYSA-N 1 0 371.441 2.665 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](CCO)c1ccccc1 ZINC000271765765 251871274 /nfs/dbraw/zinc/87/12/74/251871274.db2.gz NCFXGXYGRKIVBN-GOSISDBHSA-N 1 0 357.410 2.945 20 5 FFBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)[C@H]2C1 ZINC000272496057 252052504 /nfs/dbraw/zinc/05/25/04/252052504.db2.gz VCVCVOZYXSYEMY-MFKMUULPSA-N 1 0 370.356 2.754 20 5 FFBDRO C[C@H]1CCC[N@H+](CCN[C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000272576464 252072692 /nfs/dbraw/zinc/07/26/92/252072692.db2.gz XGPLEQZJHZAMMJ-YJBOKZPZSA-N 1 0 357.458 2.739 20 5 FFBDRO COc1cc(CN2CC[C@H]3CC[N@H+](C)C[C@H]32)c([N+](=O)[O-])cc1OC(F)F ZINC000272634383 252085978 /nfs/dbraw/zinc/08/59/78/252085978.db2.gz NOMHMQKGRILEIG-BXUZGUMPSA-N 1 0 371.384 2.731 20 5 FFBDRO COc1cc(CN2CC[C@@H]3CC[N@H+](C)C[C@@H]32)c([N+](=O)[O-])cc1OC(F)F ZINC000272634386 252086625 /nfs/dbraw/zinc/08/66/25/252086625.db2.gz NOMHMQKGRILEIG-FZMZJTMJSA-N 1 0 371.384 2.731 20 5 FFBDRO C[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(F)c1 ZINC000272986742 252183427 /nfs/dbraw/zinc/18/34/27/252183427.db2.gz ZXQNSZIXKPVPBY-LBPRGKRZSA-N 1 0 352.387 2.858 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](CO)c1ccc(F)cc1 ZINC000273079826 252209879 /nfs/dbraw/zinc/20/98/79/252209879.db2.gz HFAHNOXCFLVDJZ-QGZVFWFLSA-N 1 0 361.373 2.694 20 5 FFBDRO C[NH+](C)[C@H](CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1cccs1 ZINC000027676004 207938702 /nfs/dbraw/zinc/93/87/02/207938702.db2.gz GQHMAWZKZATQOE-CYBMUJFWSA-N 1 0 364.383 2.597 20 5 FFBDRO Cc1c(NC(=O)CCN2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000285706850 257000813 /nfs/dbraw/zinc/00/08/13/257000813.db2.gz WENXHQLBWCYLER-HOCLYGCPSA-N 1 0 360.458 2.790 20 5 FFBDRO CS[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C[C@H]1[NH+]1CCCC1 ZINC000275825016 256052130 /nfs/dbraw/zinc/05/21/30/256052130.db2.gz RQXQJBVESNWDSI-CABCVRRESA-N 1 0 368.434 2.777 20 5 FFBDRO CC(C)c1ccc(C(=O)NCC2(O)CC[NH+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000276047795 256068122 /nfs/dbraw/zinc/06/81/22/256068122.db2.gz SSQNOSREAVKIOK-UHFFFAOYSA-N 1 0 363.458 2.683 20 5 FFBDRO CCOc1cc(C[N@@H+]2CCC[C@@H](C3(C)OCCO3)C2)ccc1[N+](=O)[O-] ZINC000276894235 256140114 /nfs/dbraw/zinc/14/01/14/256140114.db2.gz KSKIMKVPWLCIDE-OAHLLOKOSA-N 1 0 350.415 2.969 20 5 FFBDRO Cn1cc(C[N@@H+]2CCc3cc[nH]c(=O)c3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000277060923 256156914 /nfs/dbraw/zinc/15/69/14/256156914.db2.gz QGRWMPQUXWEEMR-UHFFFAOYSA-N 1 0 365.393 2.654 20 5 FFBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000277381725 256191798 /nfs/dbraw/zinc/19/17/98/256191798.db2.gz WJJUKNHJBWLWDU-BXKDBHETSA-N 1 0 368.231 2.570 20 5 FFBDRO Cc1c(NC(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000277517006 256206654 /nfs/dbraw/zinc/20/66/54/256206654.db2.gz OZGHORLHGTUGQZ-CYBMUJFWSA-N 1 0 350.419 2.526 20 5 FFBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2Br)CC1 ZINC000277282139 256180247 /nfs/dbraw/zinc/18/02/47/256180247.db2.gz NLTAZFIOMQFBFX-LLVKDONJSA-N 1 0 370.247 2.914 20 5 FFBDRO O=[N+]([O-])c1cnc(C(F)(F)F)cc1NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000278524963 256322157 /nfs/dbraw/zinc/32/21/57/256322157.db2.gz ZJIDHJPLDVPMPE-NSHDSACASA-N 1 0 374.363 2.921 20 5 FFBDRO COC[C@@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H]1CCCO1 ZINC000279092580 256380846 /nfs/dbraw/zinc/38/08/46/256380846.db2.gz PNEDYPUYBIQMHM-CVEARBPZSA-N 1 0 361.398 2.576 20 5 FFBDRO CC[NH+]1CCC(CCNC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)CC1 ZINC000279339673 256407066 /nfs/dbraw/zinc/40/70/66/256407066.db2.gz DKCZHESVJUJSFG-UHFFFAOYSA-N 1 0 366.437 2.652 20 5 FFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](CO)[C@@H]1CCOC1 ZINC000280895466 256581502 /nfs/dbraw/zinc/58/15/02/256581502.db2.gz PIFYPTIXRSWRCJ-QLFBSQMISA-N 1 0 354.472 2.700 20 5 FFBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@@H](CCO)c2ccc(Cl)c(Cl)c2)n1 ZINC000285390187 256982738 /nfs/dbraw/zinc/98/27/38/256982738.db2.gz BWMRGVUWYIRXOV-ZDUSSCGKSA-N 1 0 359.213 2.811 20 5 FFBDRO CCS[C@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000286009293 257015958 /nfs/dbraw/zinc/01/59/58/257015958.db2.gz GVCSRIQPRUCGOW-ZFWWWQNUSA-N 1 0 353.444 2.806 20 5 FFBDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000286461480 257038256 /nfs/dbraw/zinc/03/82/56/257038256.db2.gz KKRDMXVILFUFDW-SAYFZHNOSA-N 1 0 356.382 2.500 20 5 FFBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3ccnc(-c4ccccc4)c3[N+](=O)[O-])[C@@H]2C1 ZINC000286492288 257039752 /nfs/dbraw/zinc/03/97/52/257039752.db2.gz TXFMIZAAQNCUHW-WMLDXEAASA-N 1 0 366.421 2.823 20 5 FFBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000286619233 257046085 /nfs/dbraw/zinc/04/60/85/257046085.db2.gz AHNRLQKIWOWTRO-RDJZCZTQSA-N 1 0 372.469 2.894 20 5 FFBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000287103066 257072198 /nfs/dbraw/zinc/07/21/98/257072198.db2.gz LKRMGWRKWUJALM-BLLLJJGKSA-N 1 0 351.834 2.876 20 5 FFBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC000287142789 257074342 /nfs/dbraw/zinc/07/43/42/257074342.db2.gz SIVLEZYOHVJAEY-VYDXJSESSA-N 1 0 366.483 2.720 20 5 FFBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1ncc(Br)cc1[N+](=O)[O-] ZINC000286403412 257035251 /nfs/dbraw/zinc/03/52/51/257035251.db2.gz PTOSQGLOOPKFLK-ZYHUDNBSSA-N 1 0 355.236 2.815 20 5 FFBDRO CCC[C@]1(CO)CCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000288832049 257231192 /nfs/dbraw/zinc/23/11/92/257231192.db2.gz NZRKAFRJZHCAOP-INIZCTEOSA-N 1 0 355.822 2.671 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCc2occc2C1 ZINC000288970037 257242773 /nfs/dbraw/zinc/24/27/73/257242773.db2.gz YPGDWHKNDPMPJO-UHFFFAOYSA-N 1 0 359.382 2.973 20 5 FFBDRO Cc1cnn([C@H]2CCN(Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)C2)c1 ZINC000290002697 257310741 /nfs/dbraw/zinc/31/07/41/257310741.db2.gz TXFYQEOIFJOFOC-HNNXBMFYSA-N 1 0 354.370 2.597 20 5 FFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000290180885 257319139 /nfs/dbraw/zinc/31/91/39/257319139.db2.gz PPIWCKROECYHMF-UKRRQHHQSA-N 1 0 363.483 2.924 20 5 FFBDRO NC(=O)c1ccnc(NC[C@H]2CCC[N@@H+]2CC2CCCCC2)c1[N+](=O)[O-] ZINC000290698565 257353509 /nfs/dbraw/zinc/35/35/09/257353509.db2.gz VOTJZNMSRXZJDF-CQSZACIVSA-N 1 0 361.446 2.545 20 5 FFBDRO C[C@H]1C[C@@H](Nc2nccc(C(N)=O)c2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000290829212 257359917 /nfs/dbraw/zinc/35/99/17/257359917.db2.gz UIQJRQGIXLMTJB-ZFWWWQNUSA-N 1 0 369.425 2.554 20 5 FFBDRO C[C@@H]([NH2+]Cc1cccc(N2CCOCC2)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293665072 257556431 /nfs/dbraw/zinc/55/64/31/257556431.db2.gz IYLUUCIJQAKYJY-CQSZACIVSA-N 1 0 356.426 2.864 20 5 FFBDRO C[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+](C2CC2)C1 ZINC000295510351 257635782 /nfs/dbraw/zinc/63/57/82/257635782.db2.gz HMOHSEWKQWIZRT-GFCCVEGCSA-N 1 0 351.834 2.733 20 5 FFBDRO O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCC1CC[NH2+]CC1 ZINC000297157009 257795459 /nfs/dbraw/zinc/79/54/59/257795459.db2.gz JJYUIOUXNHHOOI-UHFFFAOYSA-N 1 0 374.363 2.531 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)c1 ZINC000297209042 257802010 /nfs/dbraw/zinc/80/20/10/257802010.db2.gz NHYFIGMFINGKRC-RDJZCZTQSA-N 1 0 373.384 2.700 20 5 FFBDRO O=C(CC[NH+]1CCC(c2ccncn2)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000298443274 257912888 /nfs/dbraw/zinc/91/28/88/257912888.db2.gz QRMQHZNADPVUAN-UHFFFAOYSA-N 1 0 373.388 2.732 20 5 FFBDRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000301105313 258025356 /nfs/dbraw/zinc/02/53/56/258025356.db2.gz IRUGEHZHIZZLSG-GASCZTMLSA-N 1 0 350.438 2.729 20 5 FFBDRO C[C@@H](O)C[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)[C@H](C)C1 ZINC000302438393 258101719 /nfs/dbraw/zinc/10/17/19/258101719.db2.gz MRQSALZXLUXKPU-HUUCEWRRSA-N 1 0 356.426 2.548 20 5 FFBDRO Cc1ccc(N(C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000302444190 258101795 /nfs/dbraw/zinc/10/17/95/258101795.db2.gz NRLLIHYEELDBAK-HXUWFJFHSA-N 1 0 355.438 2.976 20 5 FFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2c1ncc([N+](=O)[O-])cc1Br ZINC000301578478 258056651 /nfs/dbraw/zinc/05/66/51/258056651.db2.gz OISJUFTYQJGDJK-MNOVXSKESA-N 1 0 355.236 2.815 20 5 FFBDRO Cc1nc(N[C@H](C)C[NH+]2CCN(c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000301640651 258060382 /nfs/dbraw/zinc/06/03/82/258060382.db2.gz GLZZRHJUTMTXIV-OAHLLOKOSA-N 1 0 355.442 2.921 20 5 FFBDRO O=c1[nH]cnc2cc(N3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)c([N+](=O)[O-])cc21 ZINC000301795544 258067752 /nfs/dbraw/zinc/06/77/52/258067752.db2.gz SVPORBXAIBOZTG-BLLLJJGKSA-N 1 0 369.425 2.697 20 5 FFBDRO CC(C)C[N@@H+]1CCO[C@@H](CNc2c(Br)cncc2[N+](=O)[O-])C1 ZINC000301903796 258073892 /nfs/dbraw/zinc/07/38/92/258073892.db2.gz XPRCCEXCNGLENI-NSHDSACASA-N 1 0 373.251 2.521 20 5 FFBDRO Cc1c(NC(=O)CC[N@@H+]2CC[C@@H](C(C)(C)C)[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000330703347 258168739 /nfs/dbraw/zinc/16/87/39/258168739.db2.gz JBJJVTWLFBESQT-RHSMWYFYSA-N 1 0 363.458 2.961 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC([NH+]2CCCCC2)CC1 ZINC000332077820 258212954 /nfs/dbraw/zinc/21/29/54/258212954.db2.gz HCLFBNGWMBGOLW-UHFFFAOYSA-N 1 0 360.458 2.792 20 5 FFBDRO C[C@@H]1CCCC[N@@H+]1CCC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000332099838 258214057 /nfs/dbraw/zinc/21/40/57/258214057.db2.gz YGUAHYJQQJGTBI-MRXNPFEDSA-N 1 0 360.458 2.508 20 5 FFBDRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000332264126 258222090 /nfs/dbraw/zinc/22/20/90/258222090.db2.gz ODOMQPFAVLOSNW-KBPBESRZSA-N 1 0 357.332 2.970 20 5 FFBDRO Cc1cc(NC(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)ccc1[N+](=O)[O-] ZINC000332565596 258235472 /nfs/dbraw/zinc/23/54/72/258235472.db2.gz XAYPMCFMPURAND-DOTOQJQBSA-N 1 0 362.430 2.653 20 5 FFBDRO CC[NH+](CC)[C@@H](CNC(=O)COc1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000052991244 506293182 /nfs/dbraw/zinc/29/31/82/506293182.db2.gz RCYWIGLFJUROKU-INIZCTEOSA-N 1 0 361.398 2.766 20 5 FFBDRO CN(C(=O)c1cc([N+](=O)[O-])ccc1Br)[C@H]1CCC[N@H+](C)C1 ZINC000053245507 506342227 /nfs/dbraw/zinc/34/22/27/506342227.db2.gz DVJAHCHGTBVXHX-NSHDSACASA-N 1 0 356.220 2.524 20 5 FFBDRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000065931798 506397772 /nfs/dbraw/zinc/39/77/72/506397772.db2.gz GZSDIGMCXKOMLF-UHFFFAOYSA-N 1 0 359.401 2.867 20 5 FFBDRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000065939080 506399308 /nfs/dbraw/zinc/39/93/08/506399308.db2.gz GZXNQTRDHSMHCD-UHFFFAOYSA-N 1 0 351.403 2.999 20 5 FFBDRO CCCC[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCS(=O)(=O)C1 ZINC000066543606 506549862 /nfs/dbraw/zinc/54/98/62/506549862.db2.gz QJOCAMQWOKQITD-INIZCTEOSA-N 1 0 370.471 2.653 20 5 FFBDRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000066628244 506585574 /nfs/dbraw/zinc/58/55/74/506585574.db2.gz GDBFPSZFFANMGG-ZDUSSCGKSA-N 1 0 365.430 2.606 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000043126911 506703506 /nfs/dbraw/zinc/70/35/06/506703506.db2.gz LZECXJHVZRHHQF-OAHLLOKOSA-N 1 0 370.409 2.999 20 5 FFBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000055402216 506743913 /nfs/dbraw/zinc/74/39/13/506743913.db2.gz XWTVORWYCAUNKQ-HUUCEWRRSA-N 1 0 371.441 2.631 20 5 FFBDRO O=C(NC1CC1)c1ccc(N2CC[NH+](C3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000045026704 506908035 /nfs/dbraw/zinc/90/80/35/506908035.db2.gz AOPYHNUDHBFADV-UHFFFAOYSA-N 1 0 358.442 2.552 20 5 FFBDRO C[N@H+](CCCNC(=O)NCc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000045126155 506921074 /nfs/dbraw/zinc/92/10/74/506921074.db2.gz XUVDIEZKXYAWGO-UHFFFAOYSA-N 1 0 356.426 2.916 20 5 FFBDRO C[C@@H]1CN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000367059540 512318895 /nfs/dbraw/zinc/31/88/95/512318895.db2.gz HMNONCYQLPPMAW-BEFAXECRSA-N 1 0 369.469 2.605 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCC[NH+]1CCCC1 ZINC000068265571 507166985 /nfs/dbraw/zinc/16/69/85/507166985.db2.gz GRTNYIGGEDQHSW-LBPRGKRZSA-N 1 0 355.822 2.618 20 5 FFBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCN(c3cnn(C)c3)C2)cc1[N+](=O)[O-] ZINC000371313971 512323830 /nfs/dbraw/zinc/32/38/30/512323830.db2.gz PJYIRYOAXSKZCH-UKRRQHHQSA-N 1 0 359.430 2.657 20 5 FFBDRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000057156701 507191159 /nfs/dbraw/zinc/19/11/59/507191159.db2.gz FFSURSMBBQFCIC-ZDUSSCGKSA-N 1 0 365.430 2.622 20 5 FFBDRO O=C(NCCCC[NH+]1CCOCC1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000047215424 507286025 /nfs/dbraw/zinc/28/60/25/507286025.db2.gz IEIODFYPBWRBRU-UHFFFAOYSA-N 1 0 363.439 2.652 20 5 FFBDRO Cn1cc(C[N@@H+]2CC[C@H]([C@@H]3CCOC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000371328814 512333690 /nfs/dbraw/zinc/33/36/90/512333690.db2.gz ZGRFKVMFUPHXBK-JKSUJKDBSA-N 1 0 356.426 2.854 20 5 FFBDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000069530644 507509516 /nfs/dbraw/zinc/50/95/16/507509516.db2.gz NFDJTPRGYRKQKC-CQSZACIVSA-N 1 0 363.439 2.650 20 5 FFBDRO CC1(C)NC(=O)CC[C@@H]1[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425439812 513567556 /nfs/dbraw/zinc/56/75/56/513567556.db2.gz CRZPWNFOCHOAFO-LBPRGKRZSA-N 1 0 356.220 2.504 20 5 FFBDRO COC[C@](C)(O)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000069912670 507582083 /nfs/dbraw/zinc/58/20/83/507582083.db2.gz IKYBZMDPDJXHAJ-MRXNPFEDSA-N 1 0 354.790 2.995 20 5 FFBDRO COc1ccc(C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000027583120 507668427 /nfs/dbraw/zinc/66/84/27/507668427.db2.gz WYPRNKCGNJBVFJ-INIZCTEOSA-N 1 0 357.410 2.506 20 5 FFBDRO O=C(NCC[NH+]1CCCCC1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000050579504 507694938 /nfs/dbraw/zinc/69/49/38/507694938.db2.gz BPFGYXOXYLSGEO-UHFFFAOYSA-N 1 0 360.439 2.934 20 5 FFBDRO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000051049558 507727175 /nfs/dbraw/zinc/72/71/75/507727175.db2.gz NQLVPFXVEBTJCG-JKSUJKDBSA-N 1 0 363.458 2.990 20 5 FFBDRO O=[N+]([O-])c1cnc2ccc(Br)cc2c1OC[C@H]1CC[NH2+]C1 ZINC000051888674 507788907 /nfs/dbraw/zinc/78/89/07/507788907.db2.gz GCCNIWBEDQBAAF-VIFPVBQESA-N 1 0 352.188 2.894 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2noc(CN3CC[C@@H](C[NH+]4CCCCC4)C3)n2)cc1 ZINC000072720169 507847304 /nfs/dbraw/zinc/84/73/04/507847304.db2.gz VXCNQRIFKCSVOP-HNNXBMFYSA-N 1 0 371.441 2.953 20 5 FFBDRO COCc1cc([N+](=O)[O-])ccc1NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000089644391 507853232 /nfs/dbraw/zinc/85/32/32/507853232.db2.gz IQSAFIQKFWUUFE-RTBURBONSA-N 1 0 371.437 2.789 20 5 FFBDRO CC[NH+](CC)[C@H]1CCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000072835300 507860085 /nfs/dbraw/zinc/86/00/85/507860085.db2.gz OHKGCMMAEZZDCX-JSGCOSHPSA-N 1 0 368.865 2.991 20 5 FFBDRO COc1cc(CN(C)CC[NH+]2CCCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000089898566 507880665 /nfs/dbraw/zinc/88/06/65/507880665.db2.gz WQEQNUVFBMQISR-UHFFFAOYSA-N 1 0 359.373 2.732 20 5 FFBDRO COCCOC[C@H]1CC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000089906402 507881955 /nfs/dbraw/zinc/88/19/55/507881955.db2.gz NBZIJZORKHCRLQ-AWEZNQCLSA-N 1 0 361.398 2.735 20 5 FFBDRO O=[N+]([O-])c1ccccc1OCC[N@H+](C[C@H]1CCCO1)[C@@H]1CCSC1 ZINC000089952932 507889942 /nfs/dbraw/zinc/88/99/42/507889942.db2.gz XNJRZFVBNBUUJQ-HUUCEWRRSA-N 1 0 352.456 2.960 20 5 FFBDRO O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000108450484 507895078 /nfs/dbraw/zinc/89/50/78/507895078.db2.gz IUXQGLKPPFZNPP-UHFFFAOYSA-N 1 0 356.382 2.586 20 5 FFBDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000078674826 507896178 /nfs/dbraw/zinc/89/61/78/507896178.db2.gz CRULWRMTANTCJH-MRXNPFEDSA-N 1 0 368.437 2.652 20 5 FFBDRO CC[NH+](CC)CCN(CC(C)C)S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000078737053 507903068 /nfs/dbraw/zinc/90/30/68/507903068.db2.gz YSHXRIMLWJLMLF-UHFFFAOYSA-N 1 0 371.503 2.892 20 5 FFBDRO CC[NH+](CC)[C@@H](CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])c1ccco1 ZINC000078878198 507914340 /nfs/dbraw/zinc/91/43/40/507914340.db2.gz TXHAMFVSYLTFBY-INIZCTEOSA-N 1 0 371.397 2.919 20 5 FFBDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000108818991 507920232 /nfs/dbraw/zinc/92/02/32/507920232.db2.gz NLXRFVOHDFARJP-BETUJISGSA-N 1 0 373.457 2.957 20 5 FFBDRO O=[N+]([O-])c1cnn(CC[NH2+]C2CCN(Cc3ccccc3Cl)CC2)c1 ZINC000090539796 507926102 /nfs/dbraw/zinc/92/61/02/507926102.db2.gz DWWILZNFETYAPW-UHFFFAOYSA-N 1 0 363.849 2.699 20 5 FFBDRO CN(CC(=O)NC[C@@H](c1cccs1)[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC000079288184 507950771 /nfs/dbraw/zinc/95/07/71/507950771.db2.gz DLAVSIAWGYTNFP-HNNXBMFYSA-N 1 0 362.455 2.512 20 5 FFBDRO CCCc1n[nH]c(C(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000109620141 507971787 /nfs/dbraw/zinc/97/17/87/507971787.db2.gz JVWVBPJEHMBATF-YVEFUNNKSA-N 1 0 351.451 2.511 20 5 FFBDRO CC[N@H+](C)Cc1cccc(CNC(=O)CN(C)c2ccccc2[N+](=O)[O-])c1 ZINC000079707544 507994230 /nfs/dbraw/zinc/99/42/30/507994230.db2.gz DEQBPRCMJRUDTM-UHFFFAOYSA-N 1 0 370.453 2.799 20 5 FFBDRO Cc1cccc(C(=O)NCC2([NH+]3CCCCC3)CCOCC2)c1[N+](=O)[O-] ZINC000109981353 507999461 /nfs/dbraw/zinc/99/94/61/507999461.db2.gz ABVKZONNRPRJCZ-UHFFFAOYSA-N 1 0 361.442 2.668 20 5 FFBDRO CN(CC(=O)N(CC[NH+](C)C)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000079809633 508003198 /nfs/dbraw/zinc/00/31/98/508003198.db2.gz UCDFVOBXHWUHGC-UHFFFAOYSA-N 1 0 356.426 2.626 20 5 FFBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000074327204 508012494 /nfs/dbraw/zinc/01/24/94/508012494.db2.gz DDOBIYXUWGAQCQ-INIZCTEOSA-N 1 0 360.458 2.587 20 5 FFBDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000110519390 508032154 /nfs/dbraw/zinc/03/21/54/508032154.db2.gz AKOWHFWODBGSJV-GASCZTMLSA-N 1 0 362.474 2.879 20 5 FFBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000080491307 508078572 /nfs/dbraw/zinc/07/85/72/508078572.db2.gz UXSBUFSZKKKPIE-QGZVFWFLSA-N 1 0 360.458 2.797 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000080572949 508084925 /nfs/dbraw/zinc/08/49/25/508084925.db2.gz OSUJAZQLSRDYJX-UHFFFAOYSA-N 1 0 374.485 2.722 20 5 FFBDRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000111415230 508096859 /nfs/dbraw/zinc/09/68/59/508096859.db2.gz RVKACDKDOPWEHP-CYBMUJFWSA-N 1 0 370.837 2.607 20 5 FFBDRO C[C@H](CNC(=O)NCc1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1ccccc1 ZINC000111480059 508103143 /nfs/dbraw/zinc/10/31/43/508103143.db2.gz ZMILJPGJYZMGOK-OAHLLOKOSA-N 1 0 356.426 2.915 20 5 FFBDRO CC1(C)CC(NC(=O)NCCNc2ccccc2[N+](=O)[O-])CC(C)(C)[NH2+]1 ZINC000075529425 508114430 /nfs/dbraw/zinc/11/44/30/508114430.db2.gz NKASZRJOSOHJBP-UHFFFAOYSA-N 1 0 363.462 2.615 20 5 FFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(Oc2ccnc(C(N)=O)c2)CC1 ZINC000093260938 508131199 /nfs/dbraw/zinc/13/11/99/508131199.db2.gz ARIGNIOYEYDGFU-CYBMUJFWSA-N 1 0 370.409 2.693 20 5 FFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]1CN1CCOCC1 ZINC000075890499 508141444 /nfs/dbraw/zinc/14/14/44/508141444.db2.gz RVUJLTUVDUEBSB-SFHVURJKSA-N 1 0 363.458 2.679 20 5 FFBDRO CCCC[N@H+](C)CC1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000112918582 508233464 /nfs/dbraw/zinc/23/34/64/508233464.db2.gz KRDBDPAAFIJYSB-UHFFFAOYSA-N 1 0 366.437 2.900 20 5 FFBDRO CC[NH+](CC)CCCCNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000112919556 508233536 /nfs/dbraw/zinc/23/35/36/508233536.db2.gz YXFCVGZZYLULDS-UHFFFAOYSA-N 1 0 359.430 2.632 20 5 FFBDRO CC(C)OCC[NH+]1CCC(NC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000083063838 508235750 /nfs/dbraw/zinc/23/57/50/508235750.db2.gz QAQDGQAMBKULPR-UHFFFAOYSA-N 1 0 350.419 2.606 20 5 FFBDRO C[N@H+](CCNc1ccc(I)cc1[N+](=O)[O-])C1CC1 ZINC000083420441 508245384 /nfs/dbraw/zinc/24/53/84/508245384.db2.gz UATZWQUEUOPIFY-UHFFFAOYSA-N 1 0 361.183 2.706 20 5 FFBDRO CCC[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000077321866 508300463 /nfs/dbraw/zinc/30/04/63/508300463.db2.gz HVSACGIIUOEUJR-UAGQMJEPSA-N 1 0 361.442 2.719 20 5 FFBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000085407156 508307287 /nfs/dbraw/zinc/30/72/87/508307287.db2.gz NEDLHSYWAYDNOL-QAPCUYQASA-N 1 0 362.474 2.899 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000085620006 508314585 /nfs/dbraw/zinc/31/45/85/508314585.db2.gz UJPCJHMLFSJYQA-OKILXGFUSA-N 1 0 364.446 2.832 20 5 FFBDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000115444069 508394739 /nfs/dbraw/zinc/39/47/39/508394739.db2.gz GXQUQTCIROWGJU-OAHLLOKOSA-N 1 0 360.458 2.609 20 5 FFBDRO O=[N+]([O-])c1cnc(N2CCC([NH2+]CC3CC3)CC2)c(Br)c1 ZINC000133708888 508438359 /nfs/dbraw/zinc/43/83/59/508438359.db2.gz VTZXECZEYOGSJY-UHFFFAOYSA-N 1 0 355.236 2.721 20 5 FFBDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000156705615 508464835 /nfs/dbraw/zinc/46/48/35/508464835.db2.gz CNDBHHSPXZXPPL-CYBMUJFWSA-N 1 0 358.236 2.803 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000122237010 508504080 /nfs/dbraw/zinc/50/40/80/508504080.db2.gz MHROBRORCZKYFH-BXUZGUMPSA-N 1 0 364.402 2.614 20 5 FFBDRO C[NH+](C)CC[C@@H](NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)C(C)(C)C ZINC000116467027 508517902 /nfs/dbraw/zinc/51/79/02/508517902.db2.gz PZWAOTPZKVEZTH-MRXNPFEDSA-N 1 0 374.441 2.533 20 5 FFBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000116732716 508551796 /nfs/dbraw/zinc/55/17/96/508551796.db2.gz ZWGMACUNTOKVGK-GFCCVEGCSA-N 1 0 367.833 2.618 20 5 FFBDRO C[NH+](C)C1CCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000116757239 508555414 /nfs/dbraw/zinc/55/54/14/508555414.db2.gz BDQWLQNWRIGLGM-UHFFFAOYSA-N 1 0 355.822 2.570 20 5 FFBDRO C[C@@H](Nc1ccc(C(=O)N2CCC([NH3+])CC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000157577181 508583310 /nfs/dbraw/zinc/58/33/10/508583310.db2.gz OMJWIRHRNFEHMV-CYBMUJFWSA-N 1 0 369.425 2.726 20 5 FFBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H]2CCCN2CCOC)cc1[N+](=O)[O-] ZINC000153554002 508596389 /nfs/dbraw/zinc/59/63/89/508596389.db2.gz YVEAPJWMEWWIOJ-GOEBONIOSA-N 1 0 351.447 2.755 20 5 FFBDRO COc1ccc(NC(=O)CC[N@H+](C)CCc2nccs2)c([N+](=O)[O-])c1 ZINC000157792324 508612428 /nfs/dbraw/zinc/61/24/28/508612428.db2.gz WPVUEUSVGHNRFI-UHFFFAOYSA-N 1 0 364.427 2.563 20 5 FFBDRO Cc1cc(NC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000153688926 508626118 /nfs/dbraw/zinc/62/61/18/508626118.db2.gz GRZNYZVRBFDPKM-AWEZNQCLSA-N 1 0 362.430 2.526 20 5 FFBDRO CC[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCN1CC(F)F ZINC000153698715 508628954 /nfs/dbraw/zinc/62/89/54/508628954.db2.gz UILJWOYTOIEWGC-CYBMUJFWSA-N 1 0 370.400 2.585 20 5 FFBDRO CC(=O)c1ccc(OC[C@@H](O)C[N@@H+](C)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000153845131 508661142 /nfs/dbraw/zinc/66/11/42/508661142.db2.gz CJHCMUYROYKJHO-KRWDZBQOSA-N 1 0 358.394 2.669 20 5 FFBDRO O=[N+]([O-])c1ccn(CC[N@@H+](CCO)Cc2ccc(Cl)c(Cl)c2)n1 ZINC000158196009 508670573 /nfs/dbraw/zinc/67/05/73/508670573.db2.gz HWHHTGNCNKNASK-UHFFFAOYSA-N 1 0 359.213 2.593 20 5 FFBDRO C[C@@H]1C[C@H](NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C[N@@H+]1C1CC1 ZINC000123435679 508686938 /nfs/dbraw/zinc/68/69/38/508686938.db2.gz DCBZCEJZKQHZFA-HIFRSBDPSA-N 1 0 358.442 2.894 20 5 FFBDRO COC(=O)c1ccc(CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(F)c1 ZINC000136402555 508692924 /nfs/dbraw/zinc/69/29/24/508692924.db2.gz JCHDRCGENNKDBF-CQSZACIVSA-N 1 0 374.372 2.602 20 5 FFBDRO C[N@@H+]1CCCC[C@@H]1CN1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000119023942 508709064 /nfs/dbraw/zinc/70/90/64/508709064.db2.gz YNHMLBMVTKCZFR-OAHLLOKOSA-N 1 0 366.893 2.850 20 5 FFBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000154175474 508731225 /nfs/dbraw/zinc/73/12/25/508731225.db2.gz BOFRSAPFOFNBMG-CHWSQXEVSA-N 1 0 370.247 2.960 20 5 FFBDRO COc1cc(C(=O)N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000137476620 508757068 /nfs/dbraw/zinc/75/70/68/508757068.db2.gz WLSZNRQAIHCRDW-WMLDXEAASA-N 1 0 369.421 2.996 20 5 FFBDRO O=C(CC[NH2+][C@@H](CCO)c1ccccc1)Nc1cc([N+](=O)[O-])ccc1F ZINC000129729647 508759663 /nfs/dbraw/zinc/75/96/63/508759663.db2.gz PBSAGKDUEQOJLB-INIZCTEOSA-N 1 0 361.373 2.776 20 5 FFBDRO CC1CC[NH+](CCCCNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000119377578 508783694 /nfs/dbraw/zinc/78/36/94/508783694.db2.gz UTEJBBYMJAWZFU-UHFFFAOYSA-N 1 0 369.487 2.526 20 5 FFBDRO Cc1c([C@H](C)[NH2+]C[C@]2(N3CCOCC3)CCSC2)cccc1[N+](=O)[O-] ZINC000154440461 508785560 /nfs/dbraw/zinc/78/55/60/508785560.db2.gz CCNGUIXFRCHHFA-MAUKXSAKSA-N 1 0 365.499 2.762 20 5 FFBDRO Cc1ccccc1[C@@H](C)[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000159228569 508810323 /nfs/dbraw/zinc/81/03/23/508810323.db2.gz LGFWWPYDUGOHIJ-CQSZACIVSA-N 1 0 363.439 2.532 20 5 FFBDRO O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000142388669 508823438 /nfs/dbraw/zinc/82/34/38/508823438.db2.gz IHBKNVMBQBKJEK-QGZVFWFLSA-N 1 0 372.469 2.508 20 5 FFBDRO CC(C)(C)[C@@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000154708851 508838951 /nfs/dbraw/zinc/83/89/51/508838951.db2.gz IWHQMOZHCVMGQU-MRXNPFEDSA-N 1 0 371.441 2.521 20 5 FFBDRO COc1ccc([C@@H](C)[NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)cc1F ZINC000119758334 508857628 /nfs/dbraw/zinc/85/76/28/508857628.db2.gz WCFMPDAJHJHQNH-GFCCVEGCSA-N 1 0 373.384 2.982 20 5 FFBDRO Cc1cc(C(=O)Nc2ccccc2CN2CCOCC2)cc([N+](=O)[O-])c1 ZINC000148215097 508862442 /nfs/dbraw/zinc/86/24/42/508862442.db2.gz UQFKCMAVNCCZTG-UHFFFAOYSA-N 1 0 355.394 2.988 20 5 FFBDRO COc1ccc(-c2ccc(C[N@@H+]3C[C@@H](C(N)=O)CC[C@H]3C)o2)c([N+](=O)[O-])c1 ZINC000159603986 508864548 /nfs/dbraw/zinc/86/45/48/508864548.db2.gz KTFZZGLSCLWPBM-OLZOCXBDSA-N 1 0 373.409 2.949 20 5 FFBDRO CCCC[NH+]1CCC(NS(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])CC1 ZINC000119968002 508900433 /nfs/dbraw/zinc/90/04/33/508900433.db2.gz YHBQSCJNWXURRJ-UHFFFAOYSA-N 1 0 369.487 2.754 20 5 FFBDRO Cc1c(NC(=O)CC[N@@H+](C)CCC(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC000150957097 508931008 /nfs/dbraw/zinc/93/10/08/508931008.db2.gz FTRLGRWVLQJFEI-UHFFFAOYSA-N 1 0 365.430 2.895 20 5 FFBDRO COC(=O)c1oc([C@@H](C)[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1C ZINC000125224390 508951114 /nfs/dbraw/zinc/95/11/14/508951114.db2.gz BYAIICYGMHFCGC-OLZOCXBDSA-N 1 0 374.397 2.925 20 5 FFBDRO COc1cccc([C@@H](CNC(=O)c2ccc(F)cc2[N+](=O)[O-])[NH+](C)C)c1 ZINC000132346529 509018265 /nfs/dbraw/zinc/01/82/65/509018265.db2.gz NITYUIWFHQFXRB-QGZVFWFLSA-N 1 0 361.373 2.775 20 5 FFBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000151627905 509055631 /nfs/dbraw/zinc/05/56/31/509055631.db2.gz HDZZCZGKLGPFOO-ZDUSSCGKSA-N 1 0 370.247 2.500 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC2CCC(C[NH+](C)C)CC2)c1C ZINC000151816911 509089348 /nfs/dbraw/zinc/08/93/48/509089348.db2.gz ASXSOMCOBQHJDH-UHFFFAOYSA-N 1 0 369.487 2.610 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCN(c2cc[nH+]cc2)CC1 ZINC000120994436 509105086 /nfs/dbraw/zinc/10/50/86/509105086.db2.gz CKBDCANZRDLSGZ-UHFFFAOYSA-N 1 0 363.377 2.500 20 5 FFBDRO C[NH+](C)CCOc1cccc(CNC(=O)c2ccc(F)cc2[N+](=O)[O-])c1 ZINC000133074877 509113049 /nfs/dbraw/zinc/11/30/49/509113049.db2.gz GDDKIIJBQNHWLZ-UHFFFAOYSA-N 1 0 361.373 2.604 20 5 FFBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000126685470 509113571 /nfs/dbraw/zinc/11/35/71/509113571.db2.gz AJVKVTYPWSTOOQ-AWEZNQCLSA-N 1 0 358.442 2.713 20 5 FFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCN(c2ccccn2)C1 ZINC000161449095 509116517 /nfs/dbraw/zinc/11/65/17/509116517.db2.gz IXHSDOPLKWKGJD-ZIAGYGMSSA-N 1 0 372.450 2.866 20 5 FFBDRO CC(C)N(CC[NH+](C)C)C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000151980916 509123340 /nfs/dbraw/zinc/12/33/40/509123340.db2.gz ZFHVPQZNUQULIZ-UHFFFAOYSA-N 1 0 357.838 2.816 20 5 FFBDRO COCCC[NH+]1CCC(Nc2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000121553998 509178338 /nfs/dbraw/zinc/17/83/38/509178338.db2.gz UIIMNHOTEYASKG-UHFFFAOYSA-N 1 0 353.419 2.525 20 5 FFBDRO C[N@@H+]1CC[C@H](NC(=O)COc2ccccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000247915503 509190734 /nfs/dbraw/zinc/19/07/34/509190734.db2.gz AXLFVZDXEIDHHF-HNAYVOBHSA-N 1 0 355.394 2.535 20 5 FFBDRO C[NH+](C)[C@@H](CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000191887552 509231317 /nfs/dbraw/zinc/23/13/17/509231317.db2.gz FEMCKNMCEXPTRP-KRWDZBQOSA-N 1 0 369.487 2.525 20 5 FFBDRO CC(C)C[N@@H+]1Cc2cccc(NC(=O)c3cc([N+](=O)[O-])cnc3N)c2C1 ZINC000185550875 509232295 /nfs/dbraw/zinc/23/22/95/509232295.db2.gz PXPJCVKHDMKWHF-UHFFFAOYSA-N 1 0 355.398 2.796 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCC2([NH+]3CCSCC3)CCCC2)c1 ZINC000172791939 509237939 /nfs/dbraw/zinc/23/79/39/509237939.db2.gz PXMIMTBLQRNKQM-UHFFFAOYSA-N 1 0 363.483 2.995 20 5 FFBDRO C[C@H]([NH2+]Cc1cccc(C(=O)N2CCOCC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000266903076 509249287 /nfs/dbraw/zinc/24/92/87/509249287.db2.gz UQVRLVHWDFRAJH-HNNXBMFYSA-N 1 0 369.421 2.918 20 5 FFBDRO C[C@H](C(=O)Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)[NH+]1CCCCCC1 ZINC000175993649 509261645 /nfs/dbraw/zinc/26/16/45/509261645.db2.gz LNDGEPXVXFHQKR-GFCCVEGCSA-N 1 0 358.402 2.583 20 5 FFBDRO COc1cccc(CN(CC[NH+](C)C)C(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000191954981 509262360 /nfs/dbraw/zinc/26/23/60/509262360.db2.gz ASDUYHBDYLAOBP-UHFFFAOYSA-N 1 0 357.410 2.807 20 5 FFBDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000182670291 509361292 /nfs/dbraw/zinc/36/12/92/509361292.db2.gz FGMUGXDMKMFWSV-DGCLKSJQSA-N 1 0 369.368 2.895 20 5 FFBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC([C@H](O)c3ccc(Cl)cc3)CC2)n1 ZINC000176237907 509396031 /nfs/dbraw/zinc/39/60/31/509396031.db2.gz UKUDNWKPYDWIAN-QGZVFWFLSA-N 1 0 364.833 2.890 20 5 FFBDRO CCN(C1CC[NH+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1)S(C)(=O)=O ZINC000182874192 509468645 /nfs/dbraw/zinc/46/86/45/509468645.db2.gz FHINTPPCRSLXKO-AWEZNQCLSA-N 1 0 369.487 2.710 20 5 FFBDRO COc1ccc(NC(=O)C[NH2+][C@H]2CCCc3c(O)cccc32)c([N+](=O)[O-])c1 ZINC000192357069 509479882 /nfs/dbraw/zinc/47/98/82/509479882.db2.gz ZYDCKMCDGJCNGW-HNNXBMFYSA-N 1 0 371.393 2.915 20 5 FFBDRO CC(C)c1ccc([C@H]([NH3+])CNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000236783564 509503031 /nfs/dbraw/zinc/50/30/31/509503031.db2.gz PRICSBDSEPWYCY-OAHLLOKOSA-N 1 0 363.439 2.697 20 5 FFBDRO CC[NH+](CC)CCC[C@@H](C)Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000179561876 509513379 /nfs/dbraw/zinc/51/33/79/509513379.db2.gz ROHJNDVYZHUGIZ-LLVKDONJSA-N 1 0 363.505 2.982 20 5 FFBDRO COCC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)Cc1ccco1 ZINC000164704513 509526013 /nfs/dbraw/zinc/52/60/13/509526013.db2.gz KHQKKFOXDACHDK-UHFFFAOYSA-N 1 0 361.398 2.973 20 5 FFBDRO CCOc1cc(C(=O)NCC2([NH3+])CCCCCC2)c([N+](=O)[O-])cc1OC ZINC000236890423 509527353 /nfs/dbraw/zinc/52/73/53/509527353.db2.gz BADIGUHVZAGIOD-UHFFFAOYSA-N 1 0 365.430 2.784 20 5 FFBDRO C[NH2+]CC1CCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000237094941 509569856 /nfs/dbraw/zinc/56/98/56/509569856.db2.gz ACBJUMXQDMZPSI-UHFFFAOYSA-N 1 0 360.439 2.790 20 5 FFBDRO COc1cc(C[NH2+][C@@H]2CCCc3[nH]c(=O)ccc32)c([N+](=O)[O-])cc1OC ZINC000264511641 509570958 /nfs/dbraw/zinc/57/09/58/509570958.db2.gz HRUJICVTMJQUSP-CYBMUJFWSA-N 1 0 359.382 2.880 20 5 FFBDRO O=C(c1cc(N2CC[C@H]([NH+]3CCCCC3)C2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000264538226 509587295 /nfs/dbraw/zinc/58/72/95/509587295.db2.gz AFGNRCFJRKGMLV-KRWDZBQOSA-N 1 0 372.469 2.895 20 5 FFBDRO [NH3+]CC[C@@H]1CCCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000165914050 509588486 /nfs/dbraw/zinc/58/84/86/509588486.db2.gz MTTNGAYKOIMCLB-JTQLQIEISA-N 1 0 356.220 2.558 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](CCCO)c1ccccc1 ZINC000179737317 509597506 /nfs/dbraw/zinc/59/75/06/509597506.db2.gz WFNGEGKFKXBXDE-MRXNPFEDSA-N 1 0 373.409 2.645 20 5 FFBDRO C[NH2+]C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C1 ZINC000237246830 509602955 /nfs/dbraw/zinc/60/29/55/509602955.db2.gz FQLCLHYQVXWEPK-HNNXBMFYSA-N 1 0 360.458 2.657 20 5 FFBDRO CCc1ccc(C(=O)Nc2cc(C(N)=O)ccc2C[NH+](C)C)cc1[N+](=O)[O-] ZINC000173450132 509608640 /nfs/dbraw/zinc/60/86/40/509608640.db2.gz PFBMYJXWJARXRV-UHFFFAOYSA-N 1 0 370.409 2.570 20 5 FFBDRO C[NH+]1CCC(N(Cc2ccco2)C(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000176656457 509628119 /nfs/dbraw/zinc/62/81/19/509628119.db2.gz GHMIAJODPZUTAZ-UHFFFAOYSA-N 1 0 358.398 2.507 20 5 FFBDRO CC(C)C[C@H]1OCCC[C@H]1[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000186305217 509635128 /nfs/dbraw/zinc/63/51/28/509635128.db2.gz AZVFUDNDGRVGHU-SJLPKXTDSA-N 1 0 361.442 2.667 20 5 FFBDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000237382206 509636041 /nfs/dbraw/zinc/63/60/41/509636041.db2.gz CLJDNPILORZCIR-CVEARBPZSA-N 1 0 363.461 2.741 20 5 FFBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CC[C@@H]([NH3+])C2)cc1 ZINC000237455427 509651760 /nfs/dbraw/zinc/65/17/60/509651760.db2.gz GJYXJNADFAWBRJ-GFCCVEGCSA-N 1 0 357.366 2.569 20 5 FFBDRO COc1cccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000192808018 509652542 /nfs/dbraw/zinc/65/25/42/509652542.db2.gz SIRDNWQOYDLZJU-BBRMVZONSA-N 1 0 359.426 2.692 20 5 FFBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCC([NH3+])CC3)cc2[N+](=O)[O-])C1 ZINC000237476796 509656959 /nfs/dbraw/zinc/65/69/59/509656959.db2.gz BGHZPLCALCXXNF-ZIAGYGMSSA-N 1 0 360.458 2.640 20 5 FFBDRO CC(C)(C)OC(=O)NC[C@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000170647280 509696920 /nfs/dbraw/zinc/69/69/20/509696920.db2.gz YEKQDMSPDQAGDY-CQSZACIVSA-N 1 0 365.430 2.820 20 5 FFBDRO CC[C@H](CO)[NH+]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000179996632 509705022 /nfs/dbraw/zinc/70/50/22/509705022.db2.gz IBTYIKWGRGPRPM-MRXNPFEDSA-N 1 0 359.426 2.743 20 5 FFBDRO CC(C)CS(=O)(=O)N1CCC([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000180020756 509713482 /nfs/dbraw/zinc/71/34/82/509713482.db2.gz ZNTDWJRVMSUUIJ-AWEZNQCLSA-N 1 0 369.487 2.696 20 5 FFBDRO CC(C)c1ccc(C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000189713843 509715994 /nfs/dbraw/zinc/71/59/94/509715994.db2.gz OVWVNQJAUKPQKA-INIZCTEOSA-N 1 0 363.458 2.901 20 5 FFBDRO COCCNC(=O)[C@H](CC(C)C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000183331496 509720265 /nfs/dbraw/zinc/72/02/65/509720265.db2.gz RXSLSNRJILPGKN-ZBFHGGJFSA-N 1 0 351.447 2.731 20 5 FFBDRO O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NC[C@H]1CCCC[NH2+]1 ZINC000237842579 509749943 /nfs/dbraw/zinc/74/99/43/509749943.db2.gz DHELKPHBXHHQIV-GFCCVEGCSA-N 1 0 374.363 2.674 20 5 FFBDRO [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000237856384 509753167 /nfs/dbraw/zinc/75/31/67/509753167.db2.gz HACYVKKKVQIEDB-JKSUJKDBSA-N 1 0 360.458 2.541 20 5 FFBDRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000237879058 509760339 /nfs/dbraw/zinc/76/03/39/509760339.db2.gz ZCEBKAZDPAXEGE-FZMZJTMJSA-N 1 0 370.247 2.534 20 5 FFBDRO CCOC[C@H]([NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)C(C)C ZINC000189810972 509764701 /nfs/dbraw/zinc/76/47/01/509764701.db2.gz PBVSFEWDSBTULO-WFASDCNBSA-N 1 0 353.419 2.581 20 5 FFBDRO Cc1c(C(=O)Nc2cc(C[NH+](C)C)ccn2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000176947083 509780202 /nfs/dbraw/zinc/78/02/02/509780202.db2.gz GXMBHYUCXBISCJ-UHFFFAOYSA-N 1 0 373.369 2.829 20 5 FFBDRO Cc1c([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cnn1C ZINC000183459819 509803433 /nfs/dbraw/zinc/80/34/33/509803433.db2.gz KMEYMQXFCPMDQE-NXEZZACHSA-N 1 0 365.821 2.968 20 5 FFBDRO COc1cc(C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000177054980 509844661 /nfs/dbraw/zinc/84/46/61/509844661.db2.gz ZAGKUSFYCSNDFP-UHFFFAOYSA-N 1 0 361.373 2.604 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000186691389 509856524 /nfs/dbraw/zinc/85/65/24/509856524.db2.gz GPQZKRDPGASXKE-CYBMUJFWSA-N 1 0 364.446 2.521 20 5 FFBDRO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])C1 ZINC000173950959 509872491 /nfs/dbraw/zinc/87/24/91/509872491.db2.gz NCSOMBHAELAGGE-HNNXBMFYSA-N 1 0 369.487 2.564 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000177140081 509896371 /nfs/dbraw/zinc/89/63/71/509896371.db2.gz IURBGQINLDBLSQ-UHFFFAOYSA-N 1 0 350.419 2.942 20 5 FFBDRO COc1cccc(COC[C@H](O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000180420021 509916218 /nfs/dbraw/zinc/91/62/18/509916218.db2.gz YCCADIWHYKVOKR-RDTXWAMCSA-N 1 0 360.410 2.832 20 5 FFBDRO Cc1nnc([C@@H]2CCC[N@H+](CCC(=O)Nc3cccc([N+](=O)[O-])c3C)C2)[nH]1 ZINC000268417392 509917001 /nfs/dbraw/zinc/91/70/01/509917001.db2.gz BYJYEALDACWMGT-CQSZACIVSA-N 1 0 372.429 2.538 20 5 FFBDRO C[N@H+](CCNC(=O)c1ccc(Br)cc1[N+](=O)[O-])C1CCCC1 ZINC000177190955 509926915 /nfs/dbraw/zinc/92/69/15/509926915.db2.gz SUDVRLUCSMHZKW-UHFFFAOYSA-N 1 0 370.247 2.962 20 5 FFBDRO COc1ccccc1COC[C@@H](O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180443914 509927435 /nfs/dbraw/zinc/92/74/35/509927435.db2.gz BYEORHPZPONILD-KSSFIOAISA-N 1 0 360.410 2.832 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000174124456 509958046 /nfs/dbraw/zinc/95/80/46/509958046.db2.gz LONAAWQMMWUVEG-CQSZACIVSA-N 1 0 362.430 2.989 20 5 FFBDRO C[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1CC(C)(C)O ZINC000186944019 509966401 /nfs/dbraw/zinc/96/64/01/509966401.db2.gz XMUNDZUEZWTXQS-NSHDSACASA-N 1 0 370.837 2.557 20 5 FFBDRO C[C@@H]1CCC[N@H+](CCNC(=O)c2cccc([N+](=O)[O-])c2Br)C1 ZINC000180531294 509968887 /nfs/dbraw/zinc/96/88/87/509968887.db2.gz AMKFTGFBTZPLDF-LLVKDONJSA-N 1 0 370.247 2.819 20 5 FFBDRO CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000177304975 509988299 /nfs/dbraw/zinc/98/82/99/509988299.db2.gz KKPKQSJJZVNNPL-WBVHZDCISA-N 1 0 360.458 2.790 20 5 FFBDRO CC[NH+](CC)C[C@@H]1CCN(CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000174226169 510013560 /nfs/dbraw/zinc/01/35/60/510013560.db2.gz WFDKFPIWLVMMKZ-HNNXBMFYSA-N 1 0 351.447 2.646 20 5 FFBDRO CC[NH+](CC)[C@@H](CNC(=O)c1c(N)cccc1[N+](=O)[O-])c1ccccc1 ZINC000180620073 510018055 /nfs/dbraw/zinc/01/80/55/510018055.db2.gz GAMDWUGPGQYKIT-KRWDZBQOSA-N 1 0 356.426 2.990 20 5 FFBDRO Cc1nc2ccccc2n1CCCNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000180653763 510036733 /nfs/dbraw/zinc/03/67/33/510036733.db2.gz ZSWQJBRLFYVYLP-UHFFFAOYSA-N 1 0 353.382 2.655 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CCC3(CC[NH2+]C3)CC2)cc1SC ZINC000261744100 510048933 /nfs/dbraw/zinc/04/89/33/510048933.db2.gz IOQQLEVBYNEHLB-UHFFFAOYSA-N 1 0 365.455 2.541 20 5 FFBDRO [NH3+]CCN(CCc1ccccc1)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000261743984 510049384 /nfs/dbraw/zinc/04/93/84/510049384.db2.gz LAKMLFUWDMDKCO-UHFFFAOYSA-N 1 0 367.409 2.648 20 5 FFBDRO COC(=O)[C@@]1(C)CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000177427335 510051983 /nfs/dbraw/zinc/05/19/83/510051983.db2.gz ZSECVFFEADPNMJ-SFHVURJKSA-N 1 0 359.382 2.677 20 5 FFBDRO C[C@@H]1CCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@H](C[NH3+])C1 ZINC000261834518 510083275 /nfs/dbraw/zinc/08/32/75/510083275.db2.gz PACZNWHVRXRCGH-RISCZKNCSA-N 1 0 360.439 2.918 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000193835661 510093859 /nfs/dbraw/zinc/09/38/59/510093859.db2.gz TWWVDHLHWFSFHS-INIZCTEOSA-N 1 0 369.421 2.855 20 5 FFBDRO COc1cc(C[NH2+]C[C@](C)(O)c2cc(C)oc2C)c([N+](=O)[O-])cc1O ZINC000174441461 510115908 /nfs/dbraw/zinc/11/59/08/510115908.db2.gz BAKQFONDHMLNDT-KRWDZBQOSA-N 1 0 350.371 2.516 20 5 FFBDRO C[C@@H]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)[C@H](C[NH3+])C1 ZINC000261930536 510119451 /nfs/dbraw/zinc/11/94/51/510119451.db2.gz ZXVMZFHHNGVOMU-SCZZXKLOSA-N 1 0 374.210 2.696 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)cc1SC ZINC000177544593 510124792 /nfs/dbraw/zinc/12/47/92/510124792.db2.gz PQXJUSPIHDIUJA-RYUDHWBXSA-N 1 0 367.471 2.928 20 5 FFBDRO Cc1nc(C(C)C)sc1[C@@H](C)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000245779947 510143767 /nfs/dbraw/zinc/14/37/67/510143767.db2.gz ZWGOUKXEPLBBLX-TZMCWYRMSA-N 1 0 367.475 2.734 20 5 FFBDRO O=C(COc1cccc([N+](=O)[O-])c1)Nc1ncc(C2CC[NH2+]CC2)s1 ZINC000262046679 510159790 /nfs/dbraw/zinc/15/97/90/510159790.db2.gz MAJYKRFIPMVJAT-UHFFFAOYSA-N 1 0 362.411 2.536 20 5 FFBDRO CC[N@@H+]1CCC[C@H](NC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])C1 ZINC000171479443 510185929 /nfs/dbraw/zinc/18/59/29/510185929.db2.gz ZJRFYYDUSFITLY-NSHDSACASA-N 1 0 353.444 2.539 20 5 FFBDRO CN(CC[N@H+](C)C1CCN(C)CC1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000180936724 510192780 /nfs/dbraw/zinc/19/27/80/510192780.db2.gz IICKVJNNDDVAIH-UHFFFAOYSA-N 1 0 354.882 2.706 20 5 FFBDRO COc1ccc([C@H](CO)N(C)Cc2cc(OC)c(F)cc2[N+](=O)[O-])cc1 ZINC000184215180 510196687 /nfs/dbraw/zinc/19/66/87/510196687.db2.gz JZZPCZVYPCMKOP-KRWDZBQOSA-N 1 0 364.373 2.917 20 5 FFBDRO C[C@@H]1C[C@@H]1[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000245940692 510220019 /nfs/dbraw/zinc/22/00/19/510220019.db2.gz UUZWDYLDPLRWBH-JKEMJCCQSA-N 1 0 364.833 2.793 20 5 FFBDRO Cc1cc(N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)nc(C2CC2)n1 ZINC000265826512 510250300 /nfs/dbraw/zinc/25/03/00/510250300.db2.gz JMHQTFVYONRGOO-UHFFFAOYSA-N 1 0 367.409 2.533 20 5 FFBDRO C[NH2+][C@@H]1CCN(C(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)C1 ZINC000269135891 510253409 /nfs/dbraw/zinc/25/34/09/510253409.db2.gz QKYQQQYYUFZGKD-UKRRQHHQSA-N 1 0 369.425 2.597 20 5 FFBDRO C[NH+](C)CCN(Cc1ccccc1F)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000184316373 510256945 /nfs/dbraw/zinc/25/69/45/510256945.db2.gz RFRIHTCMEJNXIT-UHFFFAOYSA-N 1 0 360.389 2.520 20 5 FFBDRO CC[C@@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1nc(C)cs1 ZINC000184337211 510271226 /nfs/dbraw/zinc/27/12/26/510271226.db2.gz QCNBSDINOHVMTL-DZGCQCFKSA-N 1 0 351.428 2.840 20 5 FFBDRO CC(C)N1CCC[C@H]([NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C1=O ZINC000177823714 510273057 /nfs/dbraw/zinc/27/30/57/510273057.db2.gz LVGXJXBPRLMOLV-SFHVURJKSA-N 1 0 361.442 2.837 20 5 FFBDRO O=C(NC[C@@H]1CCC[NH2+]1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000262541715 510311261 /nfs/dbraw/zinc/31/12/61/510311261.db2.gz VGHXEGMBHVXDEH-INIZCTEOSA-N 1 0 354.410 2.689 20 5 FFBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CC[C@@H]([NH3+])[C@H](C)C3)cc2[N+](=O)[O-])C1 ZINC000269259146 510313024 /nfs/dbraw/zinc/31/30/24/510313024.db2.gz IQHBUIWNQZCTRZ-JYYAWHABSA-N 1 0 374.485 2.886 20 5 FFBDRO CCOC[C@@H]1CCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000246134269 510313983 /nfs/dbraw/zinc/31/39/83/510313983.db2.gz FNLVNNLJUGGPHN-VXGBXAGGSA-N 1 0 355.822 2.934 20 5 FFBDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000262565401 510318410 /nfs/dbraw/zinc/31/84/10/510318410.db2.gz CLJDNPILORZCIR-HZPDHXFCSA-N 1 0 363.461 2.741 20 5 FFBDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 ZINC000269284251 510322843 /nfs/dbraw/zinc/32/28/43/510322843.db2.gz RVBRDERGZIHIQC-BDAKNGLRSA-N 1 0 374.210 2.696 20 5 FFBDRO O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262621824 510339092 /nfs/dbraw/zinc/33/90/92/510339092.db2.gz JAFNYKRLQHBVEP-MNOVXSKESA-N 1 0 373.331 2.502 20 5 FFBDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000262651379 510352343 /nfs/dbraw/zinc/35/23/43/510352343.db2.gz XXSCUXIABIOGGI-NXEZZACHSA-N 1 0 356.220 2.557 20 5 FFBDRO COc1cc(C(=O)N(C)C2CC[NH+](C(C)C)CC2)cc([N+](=O)[O-])c1OC ZINC000266007239 510355979 /nfs/dbraw/zinc/35/59/79/510355979.db2.gz PYFQVHAJJNFYOZ-UHFFFAOYSA-N 1 0 365.430 2.557 20 5 FFBDRO C[C@H]1C[C@@H]([N@H+](C)CCn2cc([N+](=O)[O-])cn2)CCN1Cc1ccccc1 ZINC000174870579 510356218 /nfs/dbraw/zinc/35/62/18/510356218.db2.gz PNJOUZXSNYLMQL-WMZOPIPTSA-N 1 0 357.458 2.776 20 5 FFBDRO CCc1n[nH]c(C(=O)NCc2cccc(C[NH+](CC)CC)c2)c1[N+](=O)[O-] ZINC000171803946 510378800 /nfs/dbraw/zinc/37/88/00/510378800.db2.gz QOOUMRCRRAGZIY-UHFFFAOYSA-N 1 0 359.430 2.652 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N[C@H]3CC[NH2+]C[C@H]3C)cc2[N+](=O)[O-])CC1 ZINC000262706757 510378896 /nfs/dbraw/zinc/37/88/96/510378896.db2.gz BQNUTFXLCSHYRP-ZBFHGGJFSA-N 1 0 360.458 2.559 20 5 FFBDRO COc1cc(C(=O)NCCC[NH+]2CCCCCC2)cc([N+](=O)[O-])c1OC ZINC000266057887 510384597 /nfs/dbraw/zinc/38/45/97/510384597.db2.gz HUMQNQKEQNEZQJ-UHFFFAOYSA-N 1 0 365.430 2.608 20 5 FFBDRO O=C(c1ccn([C@@H]2CCC[NH2+]C2)n1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000262748010 510394895 /nfs/dbraw/zinc/39/48/95/510394895.db2.gz KBUQVCUCLGWPNB-QGZVFWFLSA-N 1 0 369.425 2.521 20 5 FFBDRO COC[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(F)c(F)c1 ZINC000181428471 510404787 /nfs/dbraw/zinc/40/47/87/510404787.db2.gz XVAYRNJBWIZGSY-SJORKVTESA-N 1 0 352.337 2.884 20 5 FFBDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000246371618 510452805 /nfs/dbraw/zinc/45/28/05/510452805.db2.gz LWVUMMULJBMCBS-HUUCEWRRSA-N 1 0 360.458 2.904 20 5 FFBDRO CC[NH+](CC)[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)c1ccccc1 ZINC000178157789 510463580 /nfs/dbraw/zinc/46/35/80/510463580.db2.gz JNZIOACBHUIBGH-QGZVFWFLSA-N 1 0 356.426 2.990 20 5 FFBDRO C[C@H](NC(=O)COc1ccccc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181540771 510463827 /nfs/dbraw/zinc/46/38/27/510463827.db2.gz OYXSVIOISWLUPG-GJZGRUSLSA-N 1 0 361.442 2.743 20 5 FFBDRO Cc1cnc(NCc2ccccc2C[NH+]2CCC(O)CC2)c([N+](=O)[O-])c1 ZINC000266217551 510466991 /nfs/dbraw/zinc/46/69/91/510466991.db2.gz PLZJDGDYBKEQQR-UHFFFAOYSA-N 1 0 356.426 2.867 20 5 FFBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)NC1CC[NH+](CC2CC2)CC1 ZINC000194700537 510486135 /nfs/dbraw/zinc/48/61/35/510486135.db2.gz YCYSQHOSJSPMFG-UHFFFAOYSA-N 1 0 360.458 2.778 20 5 FFBDRO Cc1cc(S(=O)(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000172020180 510503147 /nfs/dbraw/zinc/50/31/47/510503147.db2.gz FXJYGGZRKUKAQI-OAHLLOKOSA-N 1 0 367.471 2.542 20 5 FFBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000184812413 510527535 /nfs/dbraw/zinc/52/75/35/510527535.db2.gz AVFXJMBCOLPTEU-JQWIXIFHSA-N 1 0 370.247 2.770 20 5 FFBDRO COc1cc(C(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)ccc1[N+](=O)[O-] ZINC000181673240 510533104 /nfs/dbraw/zinc/53/31/04/510533104.db2.gz AAGRVIRNFKFMGS-HIFRSBDPSA-N 1 0 361.442 2.986 20 5 FFBDRO CCc1n[nH]c(C(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000172130820 510558520 /nfs/dbraw/zinc/55/85/20/510558520.db2.gz PSTUMHXZNZJKMP-CYBMUJFWSA-N 1 0 371.441 2.836 20 5 FFBDRO CCC[C@@]1(COC)CCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000194927208 510595321 /nfs/dbraw/zinc/59/53/21/510595321.db2.gz PWACOEKXJVXMIV-YJBOKZPZSA-N 1 0 352.431 2.616 20 5 FFBDRO O=C(NCCC[NH+]1CCCC1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000178430650 510599645 /nfs/dbraw/zinc/59/96/45/510599645.db2.gz NFXJUBXLPXCMCQ-UHFFFAOYSA-N 1 0 356.220 2.573 20 5 FFBDRO O=C(CN(Cc1cccc([N+](=O)[O-])c1)C1CC1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000246695148 510621287 /nfs/dbraw/zinc/62/12/87/510621287.db2.gz NAMUXYBUAZHHKZ-RTBURBONSA-N 1 0 373.453 2.729 20 5 FFBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2C[C@H]3CC[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC000185088834 510677676 /nfs/dbraw/zinc/67/76/76/510677676.db2.gz MEWPUZMMJSBFHY-ZTFGCOKTSA-N 1 0 372.469 2.640 20 5 FFBDRO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccc(C(N)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000178671890 510713118 /nfs/dbraw/zinc/71/31/18/510713118.db2.gz AWKDDHGRSDARFN-SJKOYZFVSA-N 1 0 370.409 2.762 20 5 FFBDRO CC[C@@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000178674658 510714348 /nfs/dbraw/zinc/71/43/48/510714348.db2.gz YYBOYNXYYDRCFZ-IAGOWNOFSA-N 1 0 357.414 2.565 20 5 FFBDRO Cc1cccc(N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC000188358808 510727973 /nfs/dbraw/zinc/72/79/73/510727973.db2.gz UQCVUNZHALWWJI-UHFFFAOYSA-N 1 0 374.485 2.722 20 5 FFBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000246977187 510778697 /nfs/dbraw/zinc/77/86/97/510778697.db2.gz HBHBGOOROSFEIY-HZPDHXFCSA-N 1 0 360.458 2.872 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+]1CCC(c2ccncc2)CC1 ZINC000191673516 510782339 /nfs/dbraw/zinc/78/23/39/510782339.db2.gz APUOMRKBZSDQDK-KRWDZBQOSA-N 1 0 357.410 2.609 20 5 FFBDRO O=[N+]([O-])c1ccc(CN2CC[NH+](CC3CCOCC3)CC2)c(Cl)c1 ZINC000182180525 510798179 /nfs/dbraw/zinc/79/81/79/510798179.db2.gz KFFZZWXPEIULME-UHFFFAOYSA-N 1 0 353.850 2.792 20 5 FFBDRO O=[N+]([O-])c1cccc(N2CC[NH+](C[C@H](O)CCc3ccccc3)CC2)c1 ZINC000182239493 510829602 /nfs/dbraw/zinc/82/96/02/510829602.db2.gz HPONLQZKHSRWAR-HXUWFJFHSA-N 1 0 355.438 2.711 20 5 FFBDRO CC(C)(C)c1ccc2c(c1)C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CC2 ZINC000182251007 510833859 /nfs/dbraw/zinc/83/38/59/510833859.db2.gz XXUVGIZGMQRLKS-SFHVURJKSA-N 1 0 358.442 2.508 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000182285726 510844076 /nfs/dbraw/zinc/84/40/76/510844076.db2.gz GOOBOBLICBVKMC-LBPRGKRZSA-N 1 0 357.366 2.921 20 5 FFBDRO C[C@H]1C[NH+](CC2CCN(C(=O)c3csc([N+](=O)[O-])c3)CC2)C[C@H](C)O1 ZINC000263839678 510852324 /nfs/dbraw/zinc/85/23/24/510852324.db2.gz VRIYENHCXLYMJP-STQMWFEESA-N 1 0 367.471 2.618 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)[C@@H](C)C1 ZINC000247239062 510853723 /nfs/dbraw/zinc/85/37/23/510853723.db2.gz DGOMFXLTEIGFAL-KSSFIOAISA-N 1 0 371.441 2.583 20 5 FFBDRO COc1cc(C[N@H+](C)C[C@H]2CCC[C@H]2O)c([N+](=O)[O-])cc1OC(F)F ZINC000247246093 510854021 /nfs/dbraw/zinc/85/40/21/510854021.db2.gz ZSFNGCBDQBEYJN-ZWNOBZJWSA-N 1 0 360.357 2.798 20 5 FFBDRO O=C(NC1CC[NH+](C2CCC2)CC1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000297252676 510873756 /nfs/dbraw/zinc/87/37/56/510873756.db2.gz UBUSRLVXDUBWFS-UHFFFAOYSA-N 1 0 369.368 2.943 20 5 FFBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000360341607 510898473 /nfs/dbraw/zinc/89/84/73/510898473.db2.gz GOUYEPYYYAUQFJ-NEPJUHHUSA-N 1 0 368.231 2.714 20 5 FFBDRO O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1N1CCC([NH2+]CCO)CC1 ZINC000270555430 510906745 /nfs/dbraw/zinc/90/67/45/510906745.db2.gz IRVQKGLYHLGAMA-UHFFFAOYSA-N 1 0 367.755 2.818 20 5 FFBDRO C[C@H]1CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)[C@@H](C)[C@H]1[NH3+] ZINC000297356604 510914581 /nfs/dbraw/zinc/91/45/81/510914581.db2.gz JZQRRVVYPKHKKA-GXZWQRSESA-N 1 0 363.461 2.739 20 5 FFBDRO COCCN(CC[NH+](C)C)C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000275780694 510917446 /nfs/dbraw/zinc/91/74/46/510917446.db2.gz HZTDCUKOQYSMEC-UHFFFAOYSA-N 1 0 367.449 2.744 20 5 FFBDRO CC(=O)c1cccc(OC[C@H](O)C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000282341366 510938246 /nfs/dbraw/zinc/93/82/46/510938246.db2.gz BWNDEVRHRYYSPQ-LJQANCHMSA-N 1 0 372.421 2.712 20 5 FFBDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3Cl)C2)C1 ZINC000294084669 510950410 /nfs/dbraw/zinc/95/04/10/510950410.db2.gz JVSQXERGWUWWEU-QGZVFWFLSA-N 1 0 351.834 2.735 20 5 FFBDRO COc1ccc(OCC[N@H+]2CC=C(c3ccnn3C)CC2)c([N+](=O)[O-])c1 ZINC000285606392 510975923 /nfs/dbraw/zinc/97/59/23/510975923.db2.gz MILRTAMAXLWJLP-UHFFFAOYSA-N 1 0 358.398 2.505 20 5 FFBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000361067448 510988638 /nfs/dbraw/zinc/98/86/38/510988638.db2.gz NADYXNLPAFHAKC-GHMZBOCLSA-N 1 0 355.341 2.553 20 5 FFBDRO COc1ccc(NC(=O)CC[N@@H+]2CCO[C@H]3CCCC[C@H]32)c([N+](=O)[O-])c1 ZINC000297702935 511040308 /nfs/dbraw/zinc/04/03/08/511040308.db2.gz AVCIOPUDOSADIB-WBVHZDCISA-N 1 0 363.414 2.575 20 5 FFBDRO CC(C)c1ccc(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000364755290 511062971 /nfs/dbraw/zinc/06/29/71/511062971.db2.gz NYTFDYPDCGXYEF-INIZCTEOSA-N 1 0 361.442 2.701 20 5 FFBDRO CC(=O)c1ccc(N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)c([N+](=O)[O-])c1 ZINC000364947580 511170487 /nfs/dbraw/zinc/17/04/87/511170487.db2.gz VUJBXDQUIGTHEB-UHFFFAOYSA-N 1 0 374.485 2.651 20 5 FFBDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)Nc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000282992153 511191892 /nfs/dbraw/zinc/19/18/92/511191892.db2.gz NASRDCPSKDDXGQ-MRXNPFEDSA-N 1 0 370.409 2.999 20 5 FFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CO)c1cnn(C)c1 ZINC000271426849 511200820 /nfs/dbraw/zinc/20/08/20/511200820.db2.gz CRBLUPUHXXYTOA-KBPBESRZSA-N 1 0 350.444 2.522 20 5 FFBDRO CCc1n[nH]c(C(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000283052126 511215201 /nfs/dbraw/zinc/21/52/01/511215201.db2.gz VXNCIIMQKDUREH-CYBMUJFWSA-N 1 0 365.821 2.566 20 5 FFBDRO CC(C)N1CC[NH+](C2CCN(Cc3ccc([N+](=O)[O-])c(F)c3)CC2)CC1 ZINC000283148427 511254938 /nfs/dbraw/zinc/25/49/38/511254938.db2.gz OJUWCSHXOWPILB-UHFFFAOYSA-N 1 0 364.465 2.724 20 5 FFBDRO C[C@H]1CN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000291616624 511269465 /nfs/dbraw/zinc/26/94/65/511269465.db2.gz AJXJMKCIKOYVFY-CQSZACIVSA-N 1 0 372.469 2.798 20 5 FFBDRO CS(=O)(=O)c1cc([N+](=O)[O-])c(Nc2ccc(N3CCCC3)nc2)s1 ZINC000271691941 511289889 /nfs/dbraw/zinc/28/98/89/511289889.db2.gz FHJOIMUFNLLPOI-UHFFFAOYSA-N 1 0 368.440 2.799 20 5 FFBDRO COc1cc(C[NH2+][C@H]2CCOC2(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000295162782 511305444 /nfs/dbraw/zinc/30/54/44/511305444.db2.gz FMDVBKHBWTYRJO-AWEZNQCLSA-N 1 0 360.357 2.904 20 5 FFBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@@](CO)(c2ccccc2)C1 ZINC000291762539 511327884 /nfs/dbraw/zinc/32/78/84/511327884.db2.gz LGPMXEOESRVMEP-FOIQADDNSA-N 1 0 369.421 2.558 20 5 FFBDRO COc1cccc(COC[C@@H](O)C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000271813129 511334102 /nfs/dbraw/zinc/33/41/02/511334102.db2.gz YQSNUYSNSPDLCR-HOCLYGCPSA-N 1 0 360.410 2.832 20 5 FFBDRO CCC(=O)N1CCCN([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000363085535 511343661 /nfs/dbraw/zinc/34/36/61/511343661.db2.gz XQPDJYGTBIKDRF-CYBMUJFWSA-N 1 0 373.413 2.650 20 5 FFBDRO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000363099618 511352210 /nfs/dbraw/zinc/35/22/10/511352210.db2.gz WUANTXJMKLOOLW-GHMZBOCLSA-N 1 0 370.356 2.945 20 5 FFBDRO C[C@H]([NH2+][C@@H]1CCN(c2ccccc2C(N)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000363175183 511397774 /nfs/dbraw/zinc/39/77/74/511397774.db2.gz PAXYNDMRKQQFJV-DZGCQCFKSA-N 1 0 354.410 2.623 20 5 FFBDRO CCc1oc(C(=O)OC)cc1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365505753 511492404 /nfs/dbraw/zinc/49/24/04/511492404.db2.gz CNCRQLTZNNHJFX-UHFFFAOYSA-N 1 0 362.386 2.570 20 5 FFBDRO Cc1n[nH]c(C(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000292273632 511532627 /nfs/dbraw/zinc/53/26/27/511532627.db2.gz QIVJQLXUQMREHO-INIZCTEOSA-N 1 0 371.441 2.658 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@](C)(OC)CC1 ZINC000280628569 511539529 /nfs/dbraw/zinc/53/95/29/511539529.db2.gz XEENFRYNHJCTCB-SFHVURJKSA-N 1 0 365.430 2.823 20 5 FFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000292300148 511543593 /nfs/dbraw/zinc/54/35/93/511543593.db2.gz MRZLQBOALJXTLI-HUUCEWRRSA-N 1 0 360.458 2.728 20 5 FFBDRO C[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C)CC[N@@H+](C2CCC2)C1 ZINC000295967808 511572649 /nfs/dbraw/zinc/57/26/49/511572649.db2.gz NPMTVOSSHGBMOB-AWEZNQCLSA-N 1 0 370.457 2.701 20 5 FFBDRO C[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1OCCc2sccc21 ZINC000292457682 511604541 /nfs/dbraw/zinc/60/45/41/511604541.db2.gz QBGUIYYAKOFQGO-HWPZZCPQSA-N 1 0 361.423 2.547 20 5 FFBDRO C[NH+](C)CCOc1cc(-c2noc(Cc3cccc([N+](=O)[O-])c3)n2)ccn1 ZINC000273889726 511645473 /nfs/dbraw/zinc/64/54/73/511645473.db2.gz JAVHONQODUEKKN-UHFFFAOYSA-N 1 0 369.381 2.571 20 5 FFBDRO CN1CC[C@@H]([NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000284360806 511696965 /nfs/dbraw/zinc/69/69/65/511696965.db2.gz SVBKZABFYABFFC-APWZRJJASA-N 1 0 354.410 2.568 20 5 FFBDRO CS(=O)(=O)C[C@@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000292839331 511740016 /nfs/dbraw/zinc/74/00/16/511740016.db2.gz SBOFEZKJLWGODX-CYBMUJFWSA-N 1 0 364.423 2.721 20 5 FFBDRO C[NH+](C)Cc1cccc(NC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000365989038 511767749 /nfs/dbraw/zinc/76/77/49/511767749.db2.gz RBFAPWWTOYYZNY-UHFFFAOYSA-N 1 0 372.429 2.722 20 5 FFBDRO CC(C)(CN1CCOCC1)[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000308636180 511768388 /nfs/dbraw/zinc/76/83/88/511768388.db2.gz KSLVOOPIJUUQAA-UHFFFAOYSA-N 1 0 372.263 2.558 20 5 FFBDRO CCOc1ccc(-c2nc([C@H]3C[N@@H+]4CCC[C@]4(C)CO3)no2)cc1[N+](=O)[O-] ZINC000350381685 511798146 /nfs/dbraw/zinc/79/81/46/511798146.db2.gz FEUGGKRVAUTMBJ-CRAIPNDOSA-N 1 0 374.397 2.969 20 5 FFBDRO CC(C)[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1(CO)CCC1 ZINC000292998648 511800606 /nfs/dbraw/zinc/80/06/06/511800606.db2.gz IVTNHBJFBIXTRT-INIZCTEOSA-N 1 0 369.849 2.964 20 5 FFBDRO CN1CCO[C@H]2CC[N@H+](Cc3cc(=O)oc4ccc5ccccc5c34)C[C@H]21 ZINC000284797594 511873679 /nfs/dbraw/zinc/87/36/79/511873679.db2.gz OITJSTREGISUNN-MOPGFXCFSA-N 1 0 364.445 2.851 20 5 FFBDRO CCCc1n[nH]c(C(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000274615572 511889195 /nfs/dbraw/zinc/88/91/95/511889195.db2.gz YHCDFFIQYUFSTD-MLGOLLRUSA-N 1 0 359.430 2.692 20 5 FFBDRO CCc1cc(NCC2([S@@](C)=O)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000281834408 511983612 /nfs/dbraw/zinc/98/36/12/511983612.db2.gz XZKONBAMXVXYKD-RUZDIDTESA-N 1 0 360.439 2.937 20 5 FFBDRO CS[C@H]1CN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C[C@H]1[NH+]1CCCC1 ZINC000275126071 512048989 /nfs/dbraw/zinc/04/89/89/512048989.db2.gz NRUAKJUYZSVCEE-CVEARBPZSA-N 1 0 374.466 2.728 20 5 FFBDRO CS[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C[C@@H]1[NH+]1CCCC1 ZINC000275140706 512053497 /nfs/dbraw/zinc/05/34/97/512053497.db2.gz PYEZSKKXAPKDTC-GJZGRUSLSA-N 1 0 369.874 2.900 20 5 FFBDRO O=C(NC1CC[NH+](C2CCC2)CC1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000297212110 512063342 /nfs/dbraw/zinc/06/33/42/512063342.db2.gz QDPBANWQOJBZGA-UHFFFAOYSA-N 1 0 370.409 2.595 20 5 FFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000364404779 512106836 /nfs/dbraw/zinc/10/68/36/512106836.db2.gz PCFCPYZMRVSISL-PBHICJAKSA-N 1 0 354.410 2.630 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000373776420 512499963 /nfs/dbraw/zinc/49/99/63/512499963.db2.gz HBNKLKGCHOGGSE-SUMWQHHRSA-N 1 0 359.426 2.579 20 5 FFBDRO O=C(CCN1CCC[C@@H]1C[NH+]1CCCCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411214220 512523675 /nfs/dbraw/zinc/52/36/75/512523675.db2.gz DYXGQJISWUTUEE-GOSISDBHSA-N 1 0 360.458 2.874 20 5 FFBDRO C[C@@H](NC(=O)[C@@H](C)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1ccccc1 ZINC000369692638 512557445 /nfs/dbraw/zinc/55/74/45/512557445.db2.gz OBAXBKQJUYYHBF-HUUCEWRRSA-N 1 0 371.441 2.694 20 5 FFBDRO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@H]2CSC)c([N+](=O)[O-])c1 ZINC000411318128 512578345 /nfs/dbraw/zinc/57/83/45/512578345.db2.gz DHEHHBVNLFXBAO-LBPRGKRZSA-N 1 0 353.444 2.759 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)c1 ZINC000373942517 512584137 /nfs/dbraw/zinc/58/41/37/512584137.db2.gz HBGFQVZRSKPCQY-JKSUJKDBSA-N 1 0 361.442 2.615 20 5 FFBDRO O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000369768929 512599561 /nfs/dbraw/zinc/59/95/61/512599561.db2.gz YOFGZWLECGFTMD-CRAIPNDOSA-N 1 0 372.469 2.799 20 5 FFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCc2c1cnn2CCO ZINC000378162982 512620482 /nfs/dbraw/zinc/62/04/82/512620482.db2.gz BJPDEZKEUKFQOK-WMLDXEAASA-N 1 0 358.442 2.772 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000378252076 512659463 /nfs/dbraw/zinc/65/94/63/512659463.db2.gz TURVLQVAVSCMMW-IVMMDQJWSA-N 1 0 367.833 2.572 20 5 FFBDRO CC(=O)c1ccc2c(c1)CC[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000374352151 512784208 /nfs/dbraw/zinc/78/42/08/512784208.db2.gz OJZXWVIEFMFCNH-HXUWFJFHSA-N 1 0 354.406 2.932 20 5 FFBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000372356097 512831702 /nfs/dbraw/zinc/83/17/02/512831702.db2.gz IAGFFLQPZCTOAH-OAHLLOKOSA-N 1 0 364.398 2.785 20 5 FFBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000374508446 512864574 /nfs/dbraw/zinc/86/45/74/512864574.db2.gz UVENTJZXYFODCS-UHFFFAOYSA-N 1 0 360.458 2.796 20 5 FFBDRO C[C@H]1[C@H](NC(=O)c2cccc([N+](=O)[O-])c2N)CC[N@@H+]1Cc1ccccc1 ZINC000382009669 512876565 /nfs/dbraw/zinc/87/65/65/512876565.db2.gz MTXQVNILKBBGJS-XJKSGUPXSA-N 1 0 354.410 2.570 20 5 FFBDRO CO[C@](C)([C@H](C)[NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)C1CC1 ZINC000411973502 512897992 /nfs/dbraw/zinc/89/79/92/512897992.db2.gz RUMVCPXZCSBFFT-KPZWWZAWSA-N 1 0 363.414 2.686 20 5 FFBDRO CNc1ccc(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000389952307 512903268 /nfs/dbraw/zinc/90/32/68/512903268.db2.gz SNMINEUWGIKXND-KSSFIOAISA-N 1 0 368.437 2.887 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000374593394 512906791 /nfs/dbraw/zinc/90/67/91/512906791.db2.gz JFTIWHXXQIGPAW-MBOZVWFJSA-N 1 0 372.421 2.702 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(CC(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)c1F ZINC000412055237 512934751 /nfs/dbraw/zinc/93/47/51/512934751.db2.gz OIROXQMASBYIAV-STQMWFEESA-N 1 0 367.421 2.664 20 5 FFBDRO CC(C)[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C[C@@H]1CCC(=O)N1 ZINC000412064307 512939691 /nfs/dbraw/zinc/93/96/91/512939691.db2.gz CBQBTSHJSWVTCY-HNNXBMFYSA-N 1 0 372.425 2.781 20 5 FFBDRO C[NH+](C)C[C@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)c2ccccc2O1 ZINC000370502348 512967190 /nfs/dbraw/zinc/96/71/90/512967190.db2.gz CTEGGBHJZKKCLC-KRWDZBQOSA-N 1 0 369.421 2.883 20 5 FFBDRO CC(C)Oc1cc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000412192645 512992833 /nfs/dbraw/zinc/99/28/33/512992833.db2.gz KMIKDVQIROZJOE-HOTGVXAUSA-N 1 0 361.442 2.938 20 5 FFBDRO C[C@@H](NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000412229579 513004557 /nfs/dbraw/zinc/00/45/57/513004557.db2.gz HSBCBGZSBVERME-HIFRSBDPSA-N 1 0 363.483 2.990 20 5 FFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000374865742 513044796 /nfs/dbraw/zinc/04/47/96/513044796.db2.gz SMBUCWNPFOYTFH-PBHICJAKSA-N 1 0 368.437 2.939 20 5 FFBDRO COCC[C@@H]1CCCC[N@H+](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000368678318 513058127 /nfs/dbraw/zinc/05/81/27/513058127.db2.gz UUBOBUJEWRPRPG-AWEZNQCLSA-N 1 0 365.430 2.681 20 5 FFBDRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000412565795 513165949 /nfs/dbraw/zinc/16/59/49/513165949.db2.gz SAHBKRYOFZUAFK-UHFFFAOYSA-N 1 0 373.409 2.725 20 5 FFBDRO CCOC1(C)CC[NH+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1 ZINC000428748536 513181493 /nfs/dbraw/zinc/18/14/93/513181493.db2.gz GIDNKFSWNLCETE-UHFFFAOYSA-N 1 0 363.414 2.784 20 5 FFBDRO COC(=O)[C@@]1(c2ccccc2)CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000428811577 513198252 /nfs/dbraw/zinc/19/82/52/513198252.db2.gz JOUFLYILCDWNMP-FQEVSTJZSA-N 1 0 370.405 2.790 20 5 FFBDRO C[C@H](O)C[N@@H+]1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)[C@H](C)C1 ZINC000450459018 513204659 /nfs/dbraw/zinc/20/46/59/513204659.db2.gz VTXBGMDCMNBDQZ-OLZOCXBDSA-N 1 0 362.455 2.610 20 5 FFBDRO C[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CCC[NH2+]C1 ZINC000428975739 513237464 /nfs/dbraw/zinc/23/74/64/513237464.db2.gz HEUCBFIMLBEHDW-WCQYABFASA-N 1 0 360.439 2.836 20 5 FFBDRO Cc1ccc([C@H](C)NC(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000417850225 513237951 /nfs/dbraw/zinc/23/79/51/513237951.db2.gz MHEVBYGXHOSTME-XIRDDKMYSA-N 1 0 360.458 2.995 20 5 FFBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@H](C)C1 ZINC000428992583 513243104 /nfs/dbraw/zinc/24/31/04/513243104.db2.gz BHAUZZYUBWEZOP-CPUCHLNUSA-N 1 0 371.441 2.807 20 5 FFBDRO O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000415430085 513256168 /nfs/dbraw/zinc/25/61/68/513256168.db2.gz BXKFBGBQKUDOSL-AWEZNQCLSA-N 1 0 358.320 2.831 20 5 FFBDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1 ZINC000429020146 513258600 /nfs/dbraw/zinc/25/86/00/513258600.db2.gz MQHBXDXHCUTVDK-VKJFTORMSA-N 1 0 360.458 2.586 20 5 FFBDRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000415436509 513261387 /nfs/dbraw/zinc/26/13/87/513261387.db2.gz JYUWXJUTTLPZKZ-HNNXBMFYSA-N 1 0 358.398 2.987 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000446484362 513269617 /nfs/dbraw/zinc/26/96/17/513269617.db2.gz IYJLSMZSTRZXDC-UHFFFAOYSA-N 1 0 362.430 2.670 20 5 FFBDRO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000417947529 513299475 /nfs/dbraw/zinc/29/94/75/513299475.db2.gz SEJRKCWQSWAVGU-KRWDZBQOSA-N 1 0 360.458 2.557 20 5 FFBDRO COc1ccc(OCCN2CC[N@@H+](C3CCC3)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000429354814 513348534 /nfs/dbraw/zinc/34/85/34/513348534.db2.gz PAKCRGZTXGJPTQ-OAHLLOKOSA-N 1 0 363.458 2.788 20 5 FFBDRO C[NH2+]C[C@H](C)CNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000415647180 513361896 /nfs/dbraw/zinc/36/18/96/513361896.db2.gz AEVFBWUVNUDRPF-QMMMGPOBSA-N 1 0 359.224 2.643 20 5 FFBDRO Cc1c(NC(=O)N[C@@H]2CC[NH2+][C@H](C)C2)cc(Br)cc1[N+](=O)[O-] ZINC000415646793 513361998 /nfs/dbraw/zinc/36/19/98/513361998.db2.gz DHPHXILVOCSATQ-LDYMZIIASA-N 1 0 371.235 2.928 20 5 FFBDRO C[NH+](C)C1CCC(NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CC1 ZINC000421679489 513366080 /nfs/dbraw/zinc/36/60/80/513366080.db2.gz KXDDEIIANNEYPF-UHFFFAOYSA-N 1 0 357.357 2.799 20 5 FFBDRO C[NH2+]C[C@H]1CCCN1C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000418088701 513367763 /nfs/dbraw/zinc/36/77/63/513367763.db2.gz KVYQIPDYUIRDHF-GFCCVEGCSA-N 1 0 360.336 2.507 20 5 FFBDRO CCOC(=O)CC1([NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)CCCC1 ZINC000434611540 513368212 /nfs/dbraw/zinc/36/82/12/513368212.db2.gz IDPNJLRCGDAUSL-UHFFFAOYSA-N 1 0 364.398 2.817 20 5 FFBDRO C[NH+](C)C1CCC(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000421685271 513370037 /nfs/dbraw/zinc/37/00/37/513370037.db2.gz PRJCCZNXSNJTQJ-UHFFFAOYSA-N 1 0 374.485 2.800 20 5 FFBDRO C[C@@]1(C[NH3+])CCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000415702142 513388150 /nfs/dbraw/zinc/38/81/50/513388150.db2.gz PALMTYXOYXNWLW-ZDUSSCGKSA-N 1 0 357.208 2.560 20 5 FFBDRO C[C@H]1CCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000415705266 513390697 /nfs/dbraw/zinc/39/06/97/513390697.db2.gz SWPSRAAPKJWDTI-TVQRCGJNSA-N 1 0 371.235 2.948 20 5 FFBDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)[C@@H]2C1 ZINC000425059279 513396457 /nfs/dbraw/zinc/39/64/57/513396457.db2.gz RATYDPPWOLGGBK-XJKSGUPXSA-N 1 0 372.450 2.885 20 5 FFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(OCCC[NH3+])CC1 ZINC000415765810 513415956 /nfs/dbraw/zinc/41/59/56/513415956.db2.gz RKGOIRYTYAOLLZ-UHFFFAOYSA-N 1 0 350.419 2.519 20 5 FFBDRO CN(C)C(=O)CCN1CCC([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000447532210 513501042 /nfs/dbraw/zinc/50/10/42/513501042.db2.gz VBBMJKIISUERKU-LJQANCHMSA-N 1 0 374.485 2.505 20 5 FFBDRO Cc1cccc(C(=O)NCC[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000447533499 513501120 /nfs/dbraw/zinc/50/11/20/513501120.db2.gz XTYHMXDRVFARPL-SJORKVTESA-N 1 0 371.441 2.603 20 5 FFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCn2cnc3ccccc32)n1 ZINC000447535844 513501157 /nfs/dbraw/zinc/50/11/57/513501157.db2.gz IUGDURBQYRUFCG-WBVHZDCISA-N 1 0 354.414 2.915 20 5 FFBDRO O=C(C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)Nc1ccc(F)cc1 ZINC000447540491 513502871 /nfs/dbraw/zinc/50/28/71/513502871.db2.gz JVMKUBMVQZHBCN-GJZGRUSLSA-N 1 0 361.377 2.642 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCC[C@H]([C@@H]4CCOC4)C3)n2)c1 ZINC000441197560 513509128 /nfs/dbraw/zinc/50/91/28/513509128.db2.gz AXLDZGXMWAWUJV-LSDHHAIUSA-N 1 0 358.398 2.893 20 5 FFBDRO Cn1nccc1N1CCC[C@@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000447567339 513510423 /nfs/dbraw/zinc/51/04/23/513510423.db2.gz ASNTVDAMYPUQKC-QAPCUYQASA-N 1 0 355.442 2.964 20 5 FFBDRO CSC1(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCOCC1 ZINC000447588810 513516020 /nfs/dbraw/zinc/51/60/20/513516020.db2.gz VOFAWRTVLJXXQY-KBPBESRZSA-N 1 0 354.476 2.777 20 5 FFBDRO C[NH+](C)C1CCC(NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)CC1 ZINC000422009292 513518861 /nfs/dbraw/zinc/51/88/61/513518861.db2.gz QQUPSRJEANLEGM-UHFFFAOYSA-N 1 0 357.414 2.588 20 5 FFBDRO COc1cccc(CNC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000451102578 513524238 /nfs/dbraw/zinc/52/42/38/513524238.db2.gz DMOSODTWEPRHCU-UONOGXRCSA-N 1 0 357.410 2.959 20 5 FFBDRO O=C(CC[N@@H+]1CCc2ccccc2C1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000416167494 513616019 /nfs/dbraw/zinc/61/60/19/513616019.db2.gz SCRWFQJFWSEPRT-UHFFFAOYSA-N 1 0 351.406 2.932 20 5 FFBDRO COc1cc(C[NH2+][C@@H](C2CCOCC2)C2(CO)CCC2)ccc1[N+](=O)[O-] ZINC000425547714 513632971 /nfs/dbraw/zinc/63/29/71/513632971.db2.gz TUQQTAUSAPBLRC-SFHVURJKSA-N 1 0 364.442 2.651 20 5 FFBDRO C[NH+](C)[C@@H](CC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccccc1 ZINC000416219422 513653977 /nfs/dbraw/zinc/65/39/77/513653977.db2.gz HJDUUOGJAWYQMU-KRWDZBQOSA-N 1 0 367.409 2.780 20 5 FFBDRO COc1cc(C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)c([N+](=O)[O-])cc1F ZINC000451294019 513659489 /nfs/dbraw/zinc/65/94/89/513659489.db2.gz ISOICFZDTIRGFS-OAHLLOKOSA-N 1 0 353.394 2.593 20 5 FFBDRO CNC(=O)c1ccc(N(CC[NH+](C)C)Cc2ccsc2)c([N+](=O)[O-])c1 ZINC000413463051 513668360 /nfs/dbraw/zinc/66/83/60/513668360.db2.gz YCMQTBYUSCZGNL-UHFFFAOYSA-N 1 0 362.455 2.584 20 5 FFBDRO C[NH+](C)C(C)(C)CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000435833787 513695100 /nfs/dbraw/zinc/69/51/00/513695100.db2.gz GFOXDYXQJBKGOQ-UHFFFAOYSA-N 1 0 355.413 2.890 20 5 FFBDRO COc1ccc(OCC[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)c([N+](=O)[O-])c1 ZINC000451429464 513745503 /nfs/dbraw/zinc/74/55/03/513745503.db2.gz XJFUIENKAIMNBX-UXLLHSPISA-N 1 0 350.415 2.608 20 5 FFBDRO COc1ccc(NC(=O)CC[NH2+][C@H]2C[C@](C)(OC)C2(C)C)c([N+](=O)[O-])c1 ZINC000451486976 513781461 /nfs/dbraw/zinc/78/14/61/513781461.db2.gz KMPDXOCMDNTCKP-YJBOKZPZSA-N 1 0 365.430 2.725 20 5 FFBDRO O=C(NCCC[NH+]1CCCCC1)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000448598960 513802174 /nfs/dbraw/zinc/80/21/74/513802174.db2.gz WWBHKOZIWKPIPF-UHFFFAOYSA-N 1 0 357.414 2.591 20 5 FFBDRO CCO[C@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C[C@H]1C ZINC000451552578 513827419 /nfs/dbraw/zinc/82/74/19/513827419.db2.gz YWVCWUMXJCMTQA-CJNGLKHVSA-N 1 0 365.430 2.679 20 5 FFBDRO O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)N1CC[NH+](C2CCCC2)CC1 ZINC000448660323 513834450 /nfs/dbraw/zinc/83/44/50/513834450.db2.gz XZPUTJMIGZLSNA-UHFFFAOYSA-N 1 0 369.425 2.685 20 5 FFBDRO CC[NH+](CC)CCOC1CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000436389194 513842257 /nfs/dbraw/zinc/84/22/57/513842257.db2.gz TYQPLOGOMUXFMI-UHFFFAOYSA-N 1 0 362.474 2.890 20 5 FFBDRO CC(C)[NH+]1CCC(N2CCN(c3c4c(ccc3[N+](=O)[O-])NCC4)CC2)CC1 ZINC000436400077 513845411 /nfs/dbraw/zinc/84/54/11/513845411.db2.gz LFJIXOWNCWGPKK-UHFFFAOYSA-N 1 0 373.501 2.558 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2nnc(C[NH2+][C@@H]([C@H](CO)C3CC3)C3CC3)o2)cc1 ZINC000451587043 513848890 /nfs/dbraw/zinc/84/88/90/513848890.db2.gz HJYOIOPIABFWSO-NVXWUHKLSA-N 1 0 358.398 2.532 20 5 FFBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448780393 513894107 /nfs/dbraw/zinc/89/41/07/513894107.db2.gz JTEABVRVSHWLKH-HUUCEWRRSA-N 1 0 371.441 2.631 20 5 FFBDRO O=C(CNc1ccc2ncccc2c1[N+](=O)[O-])NCC[NH+]1CCCCCC1 ZINC000431493232 513911933 /nfs/dbraw/zinc/91/19/33/513911933.db2.gz HHMOBHVOUCSBFW-UHFFFAOYSA-N 1 0 371.441 2.547 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CC[C@@H]4C[C@@H](O)CC[C@H]4C3)o2)cc1 ZINC000451714598 513933386 /nfs/dbraw/zinc/93/33/86/513933386.db2.gz SIBCTDXKSSOTIX-YCPHGPKFSA-N 1 0 358.398 2.628 20 5 FFBDRO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000422849992 513952484 /nfs/dbraw/zinc/95/24/84/513952484.db2.gz CPLYTEXOHNVGTJ-ZBEGNZNMSA-N 1 0 353.397 2.678 20 5 FFBDRO C[N@@H+]1CCCC[C@H]1CCC(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[nH][nH]1 ZINC000431786287 514001582 /nfs/dbraw/zinc/00/15/82/514001582.db2.gz SACQPYJKXQZINJ-AWEZNQCLSA-N 1 0 357.414 2.610 20 5 FFBDRO COc1ccc([C@H](CO)C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000414202335 514009674 /nfs/dbraw/zinc/00/96/74/514009674.db2.gz YWXBJYCNZCTRMT-SZMVWBNQSA-N 1 0 374.441 2.649 20 5 FFBDRO C[C@@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])c1nnnn1-c1ccccc1 ZINC000449138594 514089316 /nfs/dbraw/zinc/08/93/16/514089316.db2.gz CMSQOPGCGJKTJN-UONOGXRCSA-N 1 0 352.398 2.852 20 5 FFBDRO O=C1[C@@H]([N@@H+]2CCC[C@@]3(CCSC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000451963917 514098515 /nfs/dbraw/zinc/09/85/15/514098515.db2.gz IFCUVJNFIAGETF-FUHWJXTLSA-N 1 0 361.467 2.919 20 5 FFBDRO O=C(CN1CC[NH2+]C[C@@H]1c1ccccc1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000420403178 514132820 /nfs/dbraw/zinc/13/28/20/514132820.db2.gz KTGZLZOPRIGIGD-QGZVFWFLSA-N 1 0 374.828 2.833 20 5 FFBDRO COc1ccc(OCCN2CC[NH2+]C[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000420419332 514141835 /nfs/dbraw/zinc/14/18/35/514141835.db2.gz XQFBRXMFZXRKGV-GOSISDBHSA-N 1 0 357.410 2.629 20 5 FFBDRO C[N@@H+]1CCCC[C@H]1CN1CCN(c2ccnc3c2cccc3[N+](=O)[O-])CC1 ZINC000432319859 514158018 /nfs/dbraw/zinc/15/80/18/514158018.db2.gz JLNFEFOZHVXNJB-INIZCTEOSA-N 1 0 369.469 2.749 20 5 FFBDRO COc1cc(C[NH2+]C[C@H](CO)c2ccc(F)cc2)c([N+](=O)[O-])cc1OC ZINC000414527939 514163474 /nfs/dbraw/zinc/16/34/74/514163474.db2.gz NJUPHSFOSCTVCX-CQSZACIVSA-N 1 0 364.373 2.617 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1 ZINC000452055980 514165914 /nfs/dbraw/zinc/16/59/14/514165914.db2.gz VOFCRNHPMOPZJL-QUHUKJRKSA-N 1 0 359.426 2.910 20 5 FFBDRO COc1ccc(C[C@H](CO)C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])cc1O ZINC000449325723 514167206 /nfs/dbraw/zinc/16/72/06/514167206.db2.gz PBDTVMGCGBLBDL-ZBFHGGJFSA-N 1 0 374.437 2.681 20 5 FFBDRO CCN1CC[NH+](C[C@@H](C)CNc2ccnc3c2cccc3[N+](=O)[O-])CC1 ZINC000432346659 514168415 /nfs/dbraw/zinc/16/84/15/514168415.db2.gz LSEVFTFPFGUJGY-HNNXBMFYSA-N 1 0 357.458 2.829 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000449360926 514179700 /nfs/dbraw/zinc/17/97/00/514179700.db2.gz VYINOTBBCBSYPL-DZGCQCFKSA-N 1 0 360.435 2.687 20 5 FFBDRO Cc1ccc([C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c2ccccc2)cc1 ZINC000437647503 514202757 /nfs/dbraw/zinc/20/27/57/514202757.db2.gz RHBOJPVNKVFLQE-WOJBJXKFSA-N 1 0 366.421 2.840 20 5 FFBDRO [NH3+][C@@H]1CCC[C@H](CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000423696285 514203854 /nfs/dbraw/zinc/20/38/54/514203854.db2.gz HRHGOXMDXSTASV-CMPLNLGQSA-N 1 0 357.863 2.974 20 5 FFBDRO O=[N+]([O-])c1cc(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)c2c(c1)COCO2 ZINC000449455050 514217188 /nfs/dbraw/zinc/21/71/88/514217188.db2.gz QEBYSMRJMBFYSK-KURKYZTESA-N 1 0 362.426 2.977 20 5 FFBDRO C[NH2+][C@H](C)Cc1noc(-c2cc(Br)c(C)c([N+](=O)[O-])c2)n1 ZINC000414641709 514218360 /nfs/dbraw/zinc/21/83/60/514218360.db2.gz ITUFLTILDHCMNR-SSDOTTSWSA-N 1 0 355.192 2.866 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000414657755 514224724 /nfs/dbraw/zinc/22/47/24/514224724.db2.gz PDIYRFLPUYHHAC-XJKSGUPXSA-N 1 0 362.430 2.989 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000414657754 514225761 /nfs/dbraw/zinc/22/57/61/514225761.db2.gz PDIYRFLPUYHHAC-CZUORRHYSA-N 1 0 362.430 2.989 20 5 FFBDRO COc1cc(C[NH2+][C@H]2CCO[C@H](c3ccncc3)C2)c([N+](=O)[O-])cc1O ZINC000449543599 514248630 /nfs/dbraw/zinc/24/86/30/514248630.db2.gz TXBPGSCOIYIEIU-YOEHRIQHSA-N 1 0 359.382 2.714 20 5 FFBDRO CN(CC(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000437854713 514251321 /nfs/dbraw/zinc/25/13/21/514251321.db2.gz ZWMMBCCJVSQSFB-QGZVFWFLSA-N 1 0 374.485 2.944 20 5 FFBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@@H](C)[C@@H](C)[NH3+])cc1 ZINC000449584169 514263901 /nfs/dbraw/zinc/26/39/01/514263901.db2.gz CLTNWWJKOXXCBH-NEPJUHHUSA-N 1 0 359.382 2.861 20 5 FFBDRO CC[NH2+][C@H](C)CNC(=O)Nc1cc(OCC)c(OCC)cc1[N+](=O)[O-] ZINC000414751302 514273018 /nfs/dbraw/zinc/27/30/18/514273018.db2.gz AECCPBNGDWEYPW-LLVKDONJSA-N 1 0 354.407 2.512 20 5 FFBDRO [NH3+][C@H]1CCC[C@H](CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000449646374 514279259 /nfs/dbraw/zinc/27/92/59/514279259.db2.gz NPEJYBJACXRCQR-ONGXEEELSA-N 1 0 356.220 2.605 20 5 FFBDRO COc1cc(C(=O)N[C@@H](CC(C)C)C[NH+]2CCCC2)c([N+](=O)[O-])cc1F ZINC000452344766 514294879 /nfs/dbraw/zinc/29/48/79/514294879.db2.gz PJJZLPCRUPGAFO-ZDUSSCGKSA-N 1 0 367.421 2.983 20 5 FFBDRO CC(=O)Nc1ccc(CNc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)cn1 ZINC000432842593 514298247 /nfs/dbraw/zinc/29/82/47/514298247.db2.gz VHMRIYVCCSJDNS-UHFFFAOYSA-N 1 0 351.366 2.839 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000449698699 514311265 /nfs/dbraw/zinc/31/12/65/514311265.db2.gz OLDVXLPXOGKAEE-HZMBPMFUSA-N 1 0 355.822 2.520 20 5 FFBDRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000423976610 514318488 /nfs/dbraw/zinc/31/84/88/514318488.db2.gz MTQFQKWXKBXWNB-HNNXBMFYSA-N 1 0 373.409 2.604 20 5 FFBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N[C@@H]3CC[C@@H](C[NH3+])C3)cc2[N+](=O)[O-])C1 ZINC000449713153 514319301 /nfs/dbraw/zinc/31/93/01/514319301.db2.gz WHDYXKGLSQGWHJ-JYYAWHABSA-N 1 0 374.485 2.934 20 5 FFBDRO C[C@@H]1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000423990522 514325006 /nfs/dbraw/zinc/32/50/06/514325006.db2.gz CMLJEZODYWFPTE-MNOVXSKESA-N 1 0 357.863 2.784 20 5 FFBDRO CCOc1ccc(C(=O)N2CC[NH2+]C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000423991587 514325898 /nfs/dbraw/zinc/32/58/98/514325898.db2.gz FBBXGAJLEMAGBT-KRWDZBQOSA-N 1 0 355.394 2.780 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N[C@@H]3CC[NH2+]C3(C)C)cc2[N+](=O)[O-])C1 ZINC000449745434 514332066 /nfs/dbraw/zinc/33/20/66/514332066.db2.gz BYAXMRUQPAKQLE-CXAGYDPISA-N 1 0 360.458 2.701 20 5 FFBDRO CCO[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000449759739 514341724 /nfs/dbraw/zinc/34/17/24/514341724.db2.gz KKXOBOUILUMZBP-GDBMZVCRSA-N 1 0 366.414 2.584 20 5 FFBDRO C[C@@H]1C[C@@H](C)N(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000424054953 514360692 /nfs/dbraw/zinc/36/06/92/514360692.db2.gz ATZSBYQMUHDXGJ-JHJVBQTASA-N 1 0 369.849 2.849 20 5 FFBDRO CCn1cc([N+](=O)[O-])c(C(=O)NCC2([N@H+](C)Cc3ccccc3)CCC2)n1 ZINC000452732732 514478206 /nfs/dbraw/zinc/47/82/06/514478206.db2.gz QIXKZLZASZLFOB-UHFFFAOYSA-N 1 0 371.441 2.596 20 5 FFBDRO O=C(NC1CC[NH+](CC2CC2)CC1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000445499622 514486698 /nfs/dbraw/zinc/48/66/98/514486698.db2.gz XGILTHVFRZTHNM-UHFFFAOYSA-N 1 0 358.442 2.537 20 5 FFBDRO O=C1[C@@H]([NH2+][C@@H](c2cccnc2)C2CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000445804915 514523713 /nfs/dbraw/zinc/52/37/13/514523713.db2.gz DOLGJPUGAJYGTQ-ZWKOTPCHSA-N 1 0 352.394 2.836 20 5 FFBDRO O=C(C[NH2+][C@H](c1cccnc1)C1CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000445814671 514525626 /nfs/dbraw/zinc/52/56/26/514525626.db2.gz AWCMGPDCFRVQTB-IBGZPJMESA-N 1 0 352.394 2.620 20 5 FFBDRO CC[C@@H]([NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccsc1 ZINC000453141953 514555235 /nfs/dbraw/zinc/55/52/35/514555235.db2.gz JYCFXTIETHTZQG-CYBMUJFWSA-N 1 0 369.468 2.676 20 5 FFBDRO COc1c(C(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000475321768 514618389 /nfs/dbraw/zinc/61/83/89/514618389.db2.gz XVRLXQXCKDAUGE-QGZVFWFLSA-N 1 0 357.410 2.945 20 5 FFBDRO CC[NH+]1CCN(c2ccc(CNc3cccc(OC)c3[N+](=O)[O-])cn2)CC1 ZINC000475358148 514632897 /nfs/dbraw/zinc/63/28/97/514632897.db2.gz JNHDIBGMYKVNSP-UHFFFAOYSA-N 1 0 371.441 2.752 20 5 FFBDRO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000475454841 514670509 /nfs/dbraw/zinc/67/05/09/514670509.db2.gz SZQKEZPFLDFERF-CQSZACIVSA-N 1 0 367.833 2.575 20 5 FFBDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC000484513128 514671793 /nfs/dbraw/zinc/67/17/93/514671793.db2.gz IPCYBDAODOASBW-FMKPAKJESA-N 1 0 360.458 2.640 20 5 FFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1c1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000484642772 514725863 /nfs/dbraw/zinc/72/58/63/514725863.db2.gz VRBSXXNQACPRGS-OAHLLOKOSA-N 1 0 368.437 2.795 20 5 FFBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCCOC1 ZINC000502649512 514726322 /nfs/dbraw/zinc/72/63/22/514726322.db2.gz TUSNXCJGXTUXSO-GRYCIOLGSA-N 1 0 355.822 2.980 20 5 FFBDRO C[N@H+](Cc1ccccc1)C1CN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000484717680 514761433 /nfs/dbraw/zinc/76/14/33/514761433.db2.gz YPUKDLCKKOCSFG-UHFFFAOYSA-N 1 0 368.437 2.663 20 5 FFBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000471382454 514860317 /nfs/dbraw/zinc/86/03/17/514860317.db2.gz PMLXVVYXCFVZBJ-KDURUIRLSA-N 1 0 365.433 2.728 20 5 FFBDRO C[NH+](C)C[C@@H](NC(=O)NCCc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000498386677 514893201 /nfs/dbraw/zinc/89/32/01/514893201.db2.gz BCRYZTBSASPHNA-QGZVFWFLSA-N 1 0 374.416 2.879 20 5 FFBDRO Cc1cc(NCc2nc(C(F)(F)F)n[nH]2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000480280092 514904637 /nfs/dbraw/zinc/90/46/37/514904637.db2.gz UEEUJKVNYIQYFE-UHFFFAOYSA-N 1 0 352.276 2.622 20 5 FFBDRO CNc1nc(C(=O)N(CC[NH+]2CCCCCC2)C(C)C)ccc1[N+](=O)[O-] ZINC000456048526 514922005 /nfs/dbraw/zinc/92/20/05/514922005.db2.gz MOZWDIFHZGOHGH-UHFFFAOYSA-N 1 0 363.462 2.758 20 5 FFBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000498567939 514975141 /nfs/dbraw/zinc/97/51/41/514975141.db2.gz XIRNHENQJZLUNZ-GJZGRUSLSA-N 1 0 360.458 2.750 20 5 FFBDRO Cc1sc(S(=O)(=O)N2CCC([NH+]3CCCCC3)CC2)cc1[N+](=O)[O-] ZINC000467398849 514994380 /nfs/dbraw/zinc/99/43/80/514994380.db2.gz BCGNYFGNACZPFX-UHFFFAOYSA-N 1 0 373.500 2.604 20 5 FFBDRO COc1cccc([C@H](CNc2ncnc3cccc([N+](=O)[O-])c32)[NH+](C)C)c1 ZINC000509071665 515011275 /nfs/dbraw/zinc/01/12/75/515011275.db2.gz XYFBSSPCZUAWKW-KRWDZBQOSA-N 1 0 367.409 2.683 20 5 FFBDRO Cc1nn(CCC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)c(C)c1[N+](=O)[O-] ZINC000456275228 515062606 /nfs/dbraw/zinc/06/26/06/515062606.db2.gz MYDXTPNEZUUCJD-KRWDZBQOSA-N 1 0 371.441 2.986 20 5 FFBDRO O=[N+]([O-])c1ccc(NCC[NH+]2CCCCC2)nc1OCc1ccccc1 ZINC000462481020 515075321 /nfs/dbraw/zinc/07/53/21/515075321.db2.gz UTWPBMWBWHGNQP-UHFFFAOYSA-N 1 0 356.426 2.889 20 5 FFBDRO Cc1c(CNC(=O)N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000490204020 515140328 /nfs/dbraw/zinc/14/03/28/515140328.db2.gz SKPSJCBKKVNGSV-QWQRMKEZSA-N 1 0 360.458 2.775 20 5 FFBDRO C[C@@H]([NH2+]Cc1ccc([C@]2(C)NC(=O)NC2=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000467834307 515142018 /nfs/dbraw/zinc/14/20/18/515142018.db2.gz QLPVBRUPAPDUKI-BLVKFPJESA-N 1 0 368.393 2.500 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCCC[N@H+]2CCCC[C@H]2C)c1C ZINC000480936773 515142119 /nfs/dbraw/zinc/14/21/19/515142119.db2.gz PBLYPVCNVNZIEX-CQSZACIVSA-N 1 0 369.487 2.754 20 5 FFBDRO C[C@@H](NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000467849781 515146660 /nfs/dbraw/zinc/14/66/60/515146660.db2.gz IRKZSXCAQWFDJD-OXQOHEQNSA-N 1 0 355.438 2.882 20 5 FFBDRO Cc1ccc(C)c(S(=O)(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000481009001 515171718 /nfs/dbraw/zinc/17/17/18/515171718.db2.gz FRIGKNOAGPTEJA-IUODEOHRSA-N 1 0 369.487 2.610 20 5 FFBDRO COC(=O)C1CC[NH+](CCCNc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000509555418 515231880 /nfs/dbraw/zinc/23/18/80/515231880.db2.gz JBUGQKRAKNMVKE-UHFFFAOYSA-N 1 0 355.822 2.935 20 5 FFBDRO CC[N@@H+]1CCCC[C@@H]1CNc1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000472340590 515234683 /nfs/dbraw/zinc/23/46/83/515234683.db2.gz NMGIIXQONJYFML-QGZVFWFLSA-N 1 0 362.474 2.713 20 5 FFBDRO CC(C)[NH+](CCN(C)C(=O)CCOc1ccccc1[N+](=O)[O-])C(C)C ZINC000504160724 515234736 /nfs/dbraw/zinc/23/47/36/515234736.db2.gz BCMGJVDLJNEHIB-UHFFFAOYSA-N 1 0 351.447 2.941 20 5 FFBDRO C[NH+](C)CCOc1cccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2F)c1 ZINC000477040603 515297629 /nfs/dbraw/zinc/29/76/29/515297629.db2.gz SQXLMUMCRBXQNZ-UHFFFAOYSA-N 1 0 361.373 2.856 20 5 FFBDRO CNc1c(C(=O)N2CC[NH+](C3CCC(C)CC3)CC2)cccc1[N+](=O)[O-] ZINC000462986948 515321472 /nfs/dbraw/zinc/32/14/72/515321472.db2.gz FUPITFFNFNOVOT-UHFFFAOYSA-N 1 0 360.458 2.973 20 5 FFBDRO CC[N@@H+]1CCC[C@@H]1CNCc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000491061870 515365942 /nfs/dbraw/zinc/36/59/42/515365942.db2.gz TYDXZYGYAPIKAH-CYBMUJFWSA-N 1 0 373.400 2.821 20 5 FFBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000468456739 515366320 /nfs/dbraw/zinc/36/63/20/515366320.db2.gz IONUGPFPMVSVHU-QGZVFWFLSA-N 1 0 358.442 2.786 20 5 FFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)CN1CCOCC1 ZINC000504894999 515403914 /nfs/dbraw/zinc/40/39/14/515403914.db2.gz QADAZMGFGVYJKG-HUUCEWRRSA-N 1 0 353.488 2.776 20 5 FFBDRO CCOc1ccc(C(=O)N[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000481714290 515434255 /nfs/dbraw/zinc/43/42/55/515434255.db2.gz NQZGTSPIJBFFKK-DLBZAZTESA-N 1 0 369.421 2.821 20 5 FFBDRO CCCN(CC[NH+]1CCCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000510488430 515553719 /nfs/dbraw/zinc/55/37/19/515553719.db2.gz FQVBDOMPYZAFLZ-UHFFFAOYSA-N 1 0 373.450 2.621 20 5 FFBDRO C[C@H]([NH2+]Cc1ccc([C@]2(C)NC(=O)NC2=O)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000482073733 515566159 /nfs/dbraw/zinc/56/61/59/515566159.db2.gz GNZYDGPAIGQGET-BUXKBTBVSA-N 1 0 368.393 2.500 20 5 FFBDRO CCOc1cc(C(=O)N2C[C@@H](C)[N@H+](CC)C[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000500122866 515599604 /nfs/dbraw/zinc/59/96/04/515599604.db2.gz QAYBRNPHBFVTLU-CHWSQXEVSA-N 1 0 365.430 2.557 20 5 FFBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2C[C@H](C)[N@H+](CC)C[C@H]2C)cc1OC ZINC000500124133 515601534 /nfs/dbraw/zinc/60/15/34/515601534.db2.gz UTFVEKWHFGEIJZ-QWHCGFSZSA-N 1 0 365.430 2.557 20 5 FFBDRO CC[C@H](C)[N@H+](C)CCNC(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1C ZINC000486876631 515670014 /nfs/dbraw/zinc/67/00/14/515670014.db2.gz WLMFEHYEFKUERV-NSHDSACASA-N 1 0 366.418 2.542 20 5 FFBDRO CC[NH+](CC)C[C@H](C)NC(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1C ZINC000486889140 515674523 /nfs/dbraw/zinc/67/45/23/515674523.db2.gz YRYBTPZCXGDYAE-NSHDSACASA-N 1 0 366.418 2.542 20 5 FFBDRO CC[NH+]1CCN([C@H](C)CNc2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000486934833 515690494 /nfs/dbraw/zinc/69/04/94/515690494.db2.gz KFVZZYOTYQHCII-GFCCVEGCSA-N 1 0 358.389 2.634 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CC[C@@H](COc3ccccc3)C2)c1 ZINC000505861688 515700644 /nfs/dbraw/zinc/70/06/44/515700644.db2.gz FIXCDQCAKZAZGB-AEFFLSMTSA-N 1 0 372.421 2.735 20 5 FFBDRO C[N@H+](CCCCNC(=O)c1ccc(Br)cc1[N+](=O)[O-])C1CC1 ZINC000457168937 515701130 /nfs/dbraw/zinc/70/11/30/515701130.db2.gz OXBSNVLDLSFFHE-UHFFFAOYSA-N 1 0 370.247 2.962 20 5 FFBDRO CC(C)[NH+](CCN(C)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)C(C)C ZINC000505883519 515708598 /nfs/dbraw/zinc/70/85/98/515708598.db2.gz BOQWNMPUOIVBAQ-SFHVURJKSA-N 1 0 362.474 2.751 20 5 FFBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)C(C)(C)C[NH+]1CCCCCC1 ZINC000494052226 515720100 /nfs/dbraw/zinc/72/01/00/515720100.db2.gz WXJBKANNJWFFQK-UHFFFAOYSA-N 1 0 365.478 2.603 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCc1nnnn1-c1ccccc1)CCC2 ZINC000511013659 515746277 /nfs/dbraw/zinc/74/62/77/515746277.db2.gz QQNSIJNAMLNMIR-SFHVURJKSA-N 1 0 364.409 2.780 20 5 FFBDRO COC1CC[NH+](C(C)(C)CNC(=O)Nc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000473784393 515750214 /nfs/dbraw/zinc/75/02/14/515750214.db2.gz GAYAXAOBPVFPNF-UHFFFAOYSA-N 1 0 364.446 2.914 20 5 FFBDRO Cn1cc(C(=O)NCCC[NH+]2CCCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000506046485 515760177 /nfs/dbraw/zinc/76/01/77/515760177.db2.gz YAJAULLSVDTTSA-UHFFFAOYSA-N 1 0 371.441 2.601 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC000511124729 515793455 /nfs/dbraw/zinc/79/34/55/515793455.db2.gz LTDUJBQQKDPEOL-LSDHHAIUSA-N 1 0 369.487 2.568 20 5 FFBDRO COc1ccc(OCC[N@@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000459804924 515817508 /nfs/dbraw/zinc/81/75/08/515817508.db2.gz PELJJIOGADESDD-FUHWJXTLSA-N 1 0 364.442 2.855 20 5 FFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)C[C@H](C)C(=O)OC(C)(C)C ZINC000459808458 515822541 /nfs/dbraw/zinc/82/25/41/515822541.db2.gz OWISYXUYBKGMAO-QWHCGFSZSA-N 1 0 365.430 2.831 20 5 FFBDRO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000469508709 515846611 /nfs/dbraw/zinc/84/66/11/515846611.db2.gz OSEYIXGCGREOMR-MRXNPFEDSA-N 1 0 358.442 2.820 20 5 FFBDRO CSC1(CNC(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)CC[NH+](C)CC1 ZINC000454977334 515869813 /nfs/dbraw/zinc/86/98/13/515869813.db2.gz SGUWJZQQJCENDW-ZDUSSCGKSA-N 1 0 366.487 2.782 20 5 FFBDRO Cc1ccc([C@@H](CNC(=O)COc2cccc([N+](=O)[O-])c2)[NH+]2CCCC2)o1 ZINC000506423329 515878160 /nfs/dbraw/zinc/87/81/60/515878160.db2.gz FSYDROVKMRSHMI-QGZVFWFLSA-N 1 0 373.409 2.828 20 5 FFBDRO C[C@@H](Nc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])C1=CC[N@H+](C)CC1 ZINC000511368533 515880929 /nfs/dbraw/zinc/88/09/29/515880929.db2.gz FKXGSKGPWJMMND-CYBMUJFWSA-N 1 0 369.425 2.622 20 5 FFBDRO Cc1ccncc1C[N@H+](C)CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000483050549 515903146 /nfs/dbraw/zinc/90/31/46/515903146.db2.gz RBRGVXRVGIMUBS-UHFFFAOYSA-N 1 0 356.382 2.728 20 5 FFBDRO Cc1cccc(CN(CC[NH+](C)C)C(=O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000487556416 515903989 /nfs/dbraw/zinc/90/39/89/515903989.db2.gz JTDPMERQDBOXLY-UHFFFAOYSA-N 1 0 371.437 2.872 20 5 FFBDRO Cc1cc(N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)ncc1[N+](=O)[O-] ZINC000474152234 515907364 /nfs/dbraw/zinc/90/73/64/515907364.db2.gz TZWLQGASRSYUCW-IRXDYDNUSA-N 1 0 356.426 2.593 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CC[C@H](c3ccc(F)cc3)C2)c1 ZINC000483115965 515934897 /nfs/dbraw/zinc/93/48/97/515934897.db2.gz DMXIYHUAFHIBFI-YJBOKZPZSA-N 1 0 360.385 2.963 20 5 FFBDRO C[C@@H](NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1)C(C)(C)C[NH+](C)C ZINC000511550921 515941960 /nfs/dbraw/zinc/94/19/60/515941960.db2.gz HZRPCZLSPIKDIX-CQSZACIVSA-N 1 0 350.463 2.755 20 5 FFBDRO Cc1nc(C(C)(C)[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)sc1C ZINC000464808140 515968324 /nfs/dbraw/zinc/96/83/24/515968324.db2.gz JBOFIXHVXYQHNF-AWEZNQCLSA-N 1 0 365.455 2.933 20 5 FFBDRO COc1c[nH+]ccc1N1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000483215697 515989784 /nfs/dbraw/zinc/98/97/84/515989784.db2.gz IVNRVEIXQFWIPV-UHFFFAOYSA-N 1 0 362.817 2.974 20 5 FFBDRO CS[C@@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C[C@@H]1[NH+]1CCCC1 ZINC000483386860 516058855 /nfs/dbraw/zinc/05/88/55/516058855.db2.gz MVDSUBMNRKALQQ-LSDHHAIUSA-N 1 0 369.874 2.900 20 5 FFBDRO CC1(C)[C@H](C(F)(F)F)CC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000469996613 516068903 /nfs/dbraw/zinc/06/89/03/516068903.db2.gz PBASSNOBLMKARE-TZMCWYRMSA-N 1 0 362.348 2.997 20 5 FFBDRO CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC000460208859 516069185 /nfs/dbraw/zinc/06/91/85/516069185.db2.gz HPXRHCGOIZWVCR-UONOGXRCSA-N 1 0 358.446 2.792 20 5 FFBDRO C[C@H]1C[N@@H+](C2CCN(c3c4ccccc4ncc3[N+](=O)[O-])CC2)CCO1 ZINC000488063182 516102185 /nfs/dbraw/zinc/10/21/85/516102185.db2.gz JGZLOBBVGVJYFT-AWEZNQCLSA-N 1 0 356.426 2.833 20 5 FFBDRO CCOCC[N@@H+]1CCN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C[C@H]1CC ZINC000470123314 516129343 /nfs/dbraw/zinc/12/93/43/516129343.db2.gz DVCFFYSDBNMUNG-OAHLLOKOSA-N 1 0 368.409 2.699 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H]1C[C@](C)(OC)C1(C)C ZINC000465402478 516142535 /nfs/dbraw/zinc/14/25/35/516142535.db2.gz HRYMPWOIHCOVKP-POHZPAGDSA-N 1 0 365.430 2.724 20 5 FFBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000512147842 516173534 /nfs/dbraw/zinc/17/35/34/516173534.db2.gz VJSLXMYJUPBDTD-RYUDHWBXSA-N 1 0 355.822 2.568 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C[C@H]1C ZINC000495473973 516175412 /nfs/dbraw/zinc/17/54/12/516175412.db2.gz KSTISRNWMBNZTH-HUUCEWRRSA-N 1 0 371.441 2.725 20 5 FFBDRO CNc1nc(C(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000455406011 516182488 /nfs/dbraw/zinc/18/24/88/516182488.db2.gz GIUCOGQLYOADEX-ZDUSSCGKSA-N 1 0 371.441 2.891 20 5 FFBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000465735797 516243218 /nfs/dbraw/zinc/24/32/18/516243218.db2.gz BLSFRBFHUHRNJU-BZUAXINKSA-N 1 0 362.474 2.803 20 5 FFBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000507603734 516260731 /nfs/dbraw/zinc/26/07/31/516260731.db2.gz KFQDIVDRBRRBRL-DOTOQJQBSA-N 1 0 369.421 2.925 20 5 FFBDRO C[NH+](C)CCc1ccc(Nc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])cc1 ZINC000497524835 516325359 /nfs/dbraw/zinc/32/53/59/516325359.db2.gz WPNKFBBVIOFEKH-UHFFFAOYSA-N 1 0 363.439 2.846 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@@H]1C ZINC000535383500 516334368 /nfs/dbraw/zinc/33/43/68/516334368.db2.gz CJWIJJGCCGTMPC-DZGCQCFKSA-N 1 0 358.442 2.950 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@H]2CCCOc3ccccc32)c1 ZINC000517556134 516360653 /nfs/dbraw/zinc/36/06/53/516360653.db2.gz GIICCSCZBRPECL-YJBOKZPZSA-N 1 0 358.394 2.838 20 5 FFBDRO COC(=O)CCC1CC[NH+](CCOc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000531240825 516366752 /nfs/dbraw/zinc/36/67/52/516366752.db2.gz YHGDDFLRLURYBI-UHFFFAOYSA-N 1 0 366.414 2.647 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](COC(F)F)C1 ZINC000512822376 516375337 /nfs/dbraw/zinc/37/53/37/516375337.db2.gz GJTNQEQZWPUNDJ-GFCCVEGCSA-N 1 0 357.357 2.793 20 5 FFBDRO O=C(NCCC[NH+]1CCCC1)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000543705829 516379444 /nfs/dbraw/zinc/37/94/44/516379444.db2.gz LRYTWJWPPLCGDR-UHFFFAOYSA-N 1 0 354.838 2.576 20 5 FFBDRO CCCN(CC[NH+]1CCCCC1)c1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC000557715665 516401154 /nfs/dbraw/zinc/40/11/54/516401154.db2.gz KLRNMKVAFVIXFH-UHFFFAOYSA-N 1 0 364.446 2.787 20 5 FFBDRO O=C(CC[NH+]1CCC(Nc2ccccn2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000535574583 516406191 /nfs/dbraw/zinc/40/61/91/516406191.db2.gz HRPROVBHDPVERO-UHFFFAOYSA-N 1 0 369.425 2.895 20 5 FFBDRO COc1ccc(C[NH2+]C[C@H](O)COc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000550763214 516411445 /nfs/dbraw/zinc/41/14/45/516411445.db2.gz HEQOUYPEKIKKJY-AWEZNQCLSA-N 1 0 366.801 2.786 20 5 FFBDRO COc1ccc(C[NH2+][C@H](CC(=O)N(C)C)c2ccccc2)cc1[N+](=O)[O-] ZINC000557759747 516424568 /nfs/dbraw/zinc/42/45/68/516424568.db2.gz VMHLDWYELURICH-MRXNPFEDSA-N 1 0 357.410 2.913 20 5 FFBDRO CC[N@H+](CCNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)C(C)C ZINC000523291403 516425686 /nfs/dbraw/zinc/42/56/86/516425686.db2.gz IFYZQSJXXXAJQM-UHFFFAOYSA-N 1 0 362.474 2.658 20 5 FFBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000523595145 516515417 /nfs/dbraw/zinc/51/54/17/516515417.db2.gz SUXLISMTCMHKBB-XHSDSOJGSA-N 1 0 362.474 2.803 20 5 FFBDRO NC(=O)c1ccc(C[NH+]2CCC(CCCn3ccnc3)CC2)c([N+](=O)[O-])c1 ZINC000543988405 516526439 /nfs/dbraw/zinc/52/64/39/516526439.db2.gz NSVORYMUOSRMHH-UHFFFAOYSA-N 1 0 371.441 2.583 20 5 FFBDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000531607032 516550704 /nfs/dbraw/zinc/55/07/04/516550704.db2.gz XCPJBBWNIGKHJN-QWHZDKJVSA-N 1 0 370.453 2.820 20 5 FFBDRO CC(C)(C(=O)Nc1ccn(-c2cc[nH+]cc2)n1)c1ccccc1[N+](=O)[O-] ZINC000551157243 516583549 /nfs/dbraw/zinc/58/35/49/516583549.db2.gz PZRXLGXMSMMAFQ-UHFFFAOYSA-N 1 0 351.366 2.514 20 5 FFBDRO CN1CCN([C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)c2cccs2)CC1 ZINC000518249341 516589483 /nfs/dbraw/zinc/58/94/83/516589483.db2.gz BRKRNPUGNBSBIH-QGZVFWFLSA-N 1 0 360.483 2.735 20 5 FFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]Cc1ccc2c(c1)CCS2(=O)=O ZINC000540619995 516642660 /nfs/dbraw/zinc/64/26/60/516642660.db2.gz VMVFUAFOQFQLKK-HWKANZROSA-N 1 0 358.419 2.728 20 5 FFBDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000518505358 516685253 /nfs/dbraw/zinc/68/52/53/516685253.db2.gz PNMRKFINUBDHIV-MRXNPFEDSA-N 1 0 368.437 2.652 20 5 FFBDRO COc1cc(CN2CC[N@H+](C)[C@H](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000551402165 516693391 /nfs/dbraw/zinc/69/33/91/516693391.db2.gz VUIYWHUSHHPSBC-GOSISDBHSA-N 1 0 355.438 2.962 20 5 FFBDRO COc1ccc(C[NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1O ZINC000531961567 516733510 /nfs/dbraw/zinc/73/35/10/516733510.db2.gz MUHIJCIJWJULBR-LBPRGKRZSA-N 1 0 359.382 2.816 20 5 FFBDRO Cc1c(Br)c(N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000544393283 516739842 /nfs/dbraw/zinc/73/98/42/516739842.db2.gz FNFIUCLANFGYRZ-GXSJLCMTSA-N 1 0 357.252 2.837 20 5 FFBDRO O=[N+]([O-])c1cccc2ncnc(N3CCC(OCC[NH+]4CCCC4)CC3)c21 ZINC000544394236 516738965 /nfs/dbraw/zinc/73/89/65/516738965.db2.gz PMFDIYCUBMXDDO-UHFFFAOYSA-N 1 0 371.441 2.619 20 5 FFBDRO Cc1c(Br)c(NC[C@@H](CC(C)C)[NH+](C)C)ncc1[N+](=O)[O-] ZINC000544394857 516739321 /nfs/dbraw/zinc/73/93/21/516739321.db2.gz RTTXGNRCXCLXOU-LLVKDONJSA-N 1 0 359.268 2.871 20 5 FFBDRO Cc1cn2c(n1)[C@H](C[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)CCC2 ZINC000531988147 516744728 /nfs/dbraw/zinc/74/47/28/516744728.db2.gz DNKZNUGFDDFGKY-HIFRSBDPSA-N 1 0 371.441 2.984 20 5 FFBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C[C@@H](C)C1 ZINC000561749738 516747367 /nfs/dbraw/zinc/74/73/67/516747367.db2.gz ZARHAHARDYIDOX-IYOUNJFTSA-N 1 0 368.437 2.945 20 5 FFBDRO Cc1cc(NCCCN2CC[NH+](C)CC2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000555119236 516791211 /nfs/dbraw/zinc/79/12/11/516791211.db2.gz AYWYOYUPHDDHRF-UHFFFAOYSA-N 1 0 360.380 2.971 20 5 FFBDRO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)c3cc([N+](=O)[O-])cn3C)cc2)C1 ZINC000524770152 516823900 /nfs/dbraw/zinc/82/39/00/516823900.db2.gz GACYYJSNTGBBSH-CQSZACIVSA-N 1 0 372.425 2.906 20 5 FFBDRO C[NH+](C)Cc1ccnc(NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)c1 ZINC000541062524 516854717 /nfs/dbraw/zinc/85/47/17/516854717.db2.gz SGZVUTUVRIMWRY-UHFFFAOYSA-N 1 0 366.324 2.905 20 5 FFBDRO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000555415194 516917843 /nfs/dbraw/zinc/91/78/43/516917843.db2.gz JEUGQODXSNZHJS-WBQNTZJQSA-N 1 0 359.426 2.859 20 5 FFBDRO C[NH+](C)CCN1CCC(N[C@@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)CC1 ZINC000514608266 516961418 /nfs/dbraw/zinc/96/14/18/516961418.db2.gz MPQVORVYTRZOLB-INIZCTEOSA-N 1 0 374.407 2.814 20 5 FFBDRO CC[C@H](C)[N@H+](C)CCNc1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000562234657 516971668 /nfs/dbraw/zinc/97/16/68/516971668.db2.gz XYWDZGPBJIBBDW-HNNXBMFYSA-N 1 0 350.463 2.569 20 5 FFBDRO CC(C)[N@H+](C)CC1CCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000532540901 517025923 /nfs/dbraw/zinc/02/59/23/517025923.db2.gz QNAQJGOIOBHCHD-LJQANCHMSA-N 1 0 374.485 2.752 20 5 FFBDRO [NH3+]CC[C@H]1CCCCN1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000514790625 517058846 /nfs/dbraw/zinc/05/88/46/517058846.db2.gz HEGRJVSPHSPHEA-MRXNPFEDSA-N 1 0 360.458 2.541 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H](c1cnn(C)c1)C(C)(C)C ZINC000537178717 517070906 /nfs/dbraw/zinc/07/09/06/517070906.db2.gz XNMQRXNOUDLTBX-KRWDZBQOSA-N 1 0 359.430 2.952 20 5 FFBDRO CN(CCC[N@H+](C)Cc1ccncc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000552112193 517086012 /nfs/dbraw/zinc/08/60/12/517086012.db2.gz QYRSGLNWMVUVGO-UHFFFAOYSA-N 1 0 356.426 2.513 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CCc2ccc(Cl)cc2)c1 ZINC000559239857 517128903 /nfs/dbraw/zinc/12/89/03/517128903.db2.gz SWKNQODOKRRABA-INIZCTEOSA-N 1 0 350.802 2.820 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)c1 ZINC000537312126 517139532 /nfs/dbraw/zinc/13/95/32/517139532.db2.gz QZRAOTFSGRGIPN-OAHLLOKOSA-N 1 0 361.442 2.805 20 5 FFBDRO CC[N@H+](CCc1cccs1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000519905518 517238603 /nfs/dbraw/zinc/23/86/03/517238603.db2.gz PIYMLXKXFZYWRD-HNNXBMFYSA-N 1 0 350.440 2.961 20 5 FFBDRO COc1ccc(CC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1[N+](=O)[O-] ZINC000532991011 517241952 /nfs/dbraw/zinc/24/19/52/517241952.db2.gz CVSQWZHDWXAWST-RDJZCZTQSA-N 1 0 373.453 2.621 20 5 FFBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000515240592 517267347 /nfs/dbraw/zinc/26/73/47/517267347.db2.gz PXDIMIBTCPNJKR-MAUKXSAKSA-N 1 0 360.458 2.872 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCc2ccc(O)cc2C1 ZINC000533071272 517278457 /nfs/dbraw/zinc/27/84/57/517278457.db2.gz PUMFYQIIJYHWRT-UHFFFAOYSA-N 1 0 371.393 2.696 20 5 FFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000541924623 517294200 /nfs/dbraw/zinc/29/42/00/517294200.db2.gz HYRXRJHSJBMNJW-LSDHHAIUSA-N 1 0 369.425 2.538 20 5 FFBDRO O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000541943095 517303315 /nfs/dbraw/zinc/30/33/15/517303315.db2.gz OWNJVNHWWSGTPM-CYBMUJFWSA-N 1 0 369.368 2.897 20 5 FFBDRO COc1ccc(NC(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000542030228 517346698 /nfs/dbraw/zinc/34/66/98/517346698.db2.gz RGKFLFWBTVVKQR-CHWSQXEVSA-N 1 0 350.419 2.988 20 5 FFBDRO O=C(NCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccccc1[N+](=O)[O-] ZINC000520374144 517367208 /nfs/dbraw/zinc/36/72/08/517367208.db2.gz PAICBGQVGHGDNA-UHFFFAOYSA-N 1 0 369.421 2.999 20 5 FFBDRO C[NH+](C)[C@]1(CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CCSC1 ZINC000545856430 517395093 /nfs/dbraw/zinc/39/50/93/517395093.db2.gz LRGWMEXXTRZHMD-KRWDZBQOSA-N 1 0 369.462 2.565 20 5 FFBDRO C[C@H](CNc1cccc(C(N)=O)c1[N+](=O)[O-])[N@@H+]1CCc2sccc2C1 ZINC000552973324 517460492 /nfs/dbraw/zinc/46/04/92/517460492.db2.gz RNWGMLUQKCKGEJ-LLVKDONJSA-N 1 0 360.439 2.614 20 5 FFBDRO COc1ccc([C@@H](CCO)[NH2+]CC(=O)Nc2c(C)cccc2[N+](=O)[O-])cc1 ZINC000538129098 517474770 /nfs/dbraw/zinc/47/47/70/517474770.db2.gz GFIMAOQEKUHZAY-MRXNPFEDSA-N 1 0 373.409 2.564 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC(CC[NH3+])CC1 ZINC000515861452 517497068 /nfs/dbraw/zinc/49/70/68/517497068.db2.gz AARZFJIJNRAPEZ-LLVKDONJSA-N 1 0 355.822 2.603 20 5 FFBDRO O=C(c1ccc(F)cc1)N1CCCN(Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000549336982 517518201 /nfs/dbraw/zinc/51/82/01/517518201.db2.gz FILCFIVMQDIVAX-UHFFFAOYSA-N 1 0 373.384 2.788 20 5 FFBDRO COc1ccc(COC[C@H](O)C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000538279062 517538195 /nfs/dbraw/zinc/53/81/95/517538195.db2.gz ITTKLLJXGVNKKD-GDBMZVCRSA-N 1 0 360.410 2.832 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CCc2ccc(Cl)s2)c1 ZINC000562983842 517554751 /nfs/dbraw/zinc/55/47/51/517554751.db2.gz AECNGSVBBPXNGV-GFCCVEGCSA-N 1 0 356.831 2.882 20 5 FFBDRO NC(=O)c1cccc(NCc2cccc(C[NH+]3CCCC3)c2)c1[N+](=O)[O-] ZINC000516102008 517566912 /nfs/dbraw/zinc/56/69/12/517566912.db2.gz MQGCYHBLWJRDDT-UHFFFAOYSA-N 1 0 354.410 2.902 20 5 FFBDRO O=C(NC[C@H](NCc1ccccc1)c1ccco1)c1ccc([N+](=O)[O-])[nH]1 ZINC000553212815 517578722 /nfs/dbraw/zinc/57/87/22/517578722.db2.gz XXAOAFYVVQBGAF-HNNXBMFYSA-N 1 0 354.366 2.777 20 5 FFBDRO COc1c[nH+]ccc1N1CCN(c2nc3c(cc2[N+](=O)[O-])CCCC3)CC1 ZINC000563039618 517609403 /nfs/dbraw/zinc/60/94/03/517609403.db2.gz YOLIYXKKOYWPGW-UHFFFAOYSA-N 1 0 369.425 2.599 20 5 FFBDRO COc1ccc(CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000521131645 517624161 /nfs/dbraw/zinc/62/41/61/517624161.db2.gz NAOIWFIXPCXQNJ-QGZVFWFLSA-N 1 0 369.421 2.884 20 5 FFBDRO Cc1ccc(O[C@H](C)C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000516276579 517647137 /nfs/dbraw/zinc/64/71/37/517647137.db2.gz FGCQJSFPCBXCHT-NVXWUHKLSA-N 1 0 360.410 2.700 20 5 FFBDRO Cc1ccc(O[C@@H](C)C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000516276578 517647758 /nfs/dbraw/zinc/64/77/58/517647758.db2.gz FGCQJSFPCBXCHT-DOTOQJQBSA-N 1 0 360.410 2.700 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000521210550 517651232 /nfs/dbraw/zinc/65/12/32/517651232.db2.gz UFBBJHMVPHKYNP-UHFFFAOYSA-N 1 0 369.487 2.644 20 5 FFBDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000516500814 517712634 /nfs/dbraw/zinc/71/26/34/517712634.db2.gz OLMPWWDAEBKMAH-SJORKVTESA-N 1 0 372.469 2.554 20 5 FFBDRO CCOc1cc(N2CC[NH+](C[C@@H]3CCCC[C@@H]3O)CC2)ccc1[N+](=O)[O-] ZINC000563220386 517747839 /nfs/dbraw/zinc/74/78/39/517747839.db2.gz MGUZNOWUPIQAED-YJBOKZPZSA-N 1 0 363.458 2.667 20 5 FFBDRO CCCN(CC[NH+](CC)CC)C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000546599075 517747927 /nfs/dbraw/zinc/74/79/27/517747927.db2.gz GRJYNBFEPGMUJR-UHFFFAOYSA-N 1 0 351.403 2.518 20 5 FFBDRO CCC[C@H]1CN(Cc2c([N+](=O)[O-])ncn2C)CC[N@@H+]1Cc1ccccc1 ZINC000553622444 517817507 /nfs/dbraw/zinc/81/75/07/517817507.db2.gz WJXCQMZMRMKGSA-KRWDZBQOSA-N 1 0 357.458 2.815 20 5 FFBDRO COCCOc1cc2c(cc1C[NH2+]CCc1ccc([N+](=O)[O-])cc1)OCO2 ZINC000521829764 517863967 /nfs/dbraw/zinc/86/39/67/517863967.db2.gz RDDFWIBVZYWVRB-UHFFFAOYSA-N 1 0 374.393 2.681 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCCN(S(=O)(=O)C2CC2)C1 ZINC000560558841 517896352 /nfs/dbraw/zinc/89/63/52/517896352.db2.gz VFMWDEIZYHWROM-UONOGXRCSA-N 1 0 367.471 2.510 20 5 FFBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000522027875 517958039 /nfs/dbraw/zinc/95/80/39/517958039.db2.gz JNUPXUKFKPDORD-QGZVFWFLSA-N 1 0 372.473 2.520 20 5 FFBDRO CC[NH+](CC)C[C@H](C)NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000522184875 518022109 /nfs/dbraw/zinc/02/21/09/518022109.db2.gz OVTXGXMHTQKBCV-RYUDHWBXSA-N 1 0 357.838 2.862 20 5 FFBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000522200995 518030298 /nfs/dbraw/zinc/03/02/98/518030298.db2.gz BBJGUZMIHRNKMQ-CHWSQXEVSA-N 1 0 369.849 2.862 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCCC[N@@H+]2CCc3ccccc3C2)n1 ZINC000557520241 518050944 /nfs/dbraw/zinc/05/09/44/518050944.db2.gz ZEXGSGWLISMTMJ-UHFFFAOYSA-N 1 0 370.409 2.637 20 5 FFBDRO C[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1Oc2ccccc2[C@@H]1C ZINC000543544069 518133143 /nfs/dbraw/zinc/13/31/43/518133143.db2.gz MCWZSAAADJZOHD-VPCSNGCSSA-N 1 0 372.421 2.877 20 5 FFBDRO C[C@@H](CNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)[N@@H+]1CCCC[C@H]1C ZINC000535282374 518173099 /nfs/dbraw/zinc/17/30/99/518173099.db2.gz VVUAHSCYWNADNB-CABCVRRESA-N 1 0 360.458 2.925 20 5 FFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)c1 ZINC000575368856 518205388 /nfs/dbraw/zinc/20/53/88/518205388.db2.gz WKFYGRWPJYVDAR-AZUAARDMSA-N 1 0 355.438 2.567 20 5 FFBDRO CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)c1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000569674768 518232522 /nfs/dbraw/zinc/23/25/22/518232522.db2.gz WGHVZNHPQUFWPF-GFCCVEGCSA-N 1 0 353.394 2.689 20 5 FFBDRO CSC1(CNc2ncnc3sc([N+](=O)[O-])cc32)CC[NH+](C)CC1 ZINC000578825803 518389353 /nfs/dbraw/zinc/38/93/53/518389353.db2.gz RWXDOGHCDXDBHM-UHFFFAOYSA-N 1 0 353.473 2.839 20 5 FFBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000584677002 518424628 /nfs/dbraw/zinc/42/46/28/518424628.db2.gz HHRXONDGPLHDDQ-CYBMUJFWSA-N 1 0 361.446 2.648 20 5 FFBDRO CNc1c(C(=O)N2CC([N@H+](C)Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000584738095 518454353 /nfs/dbraw/zinc/45/43/53/518454353.db2.gz YQTLVHRORVTWBU-UHFFFAOYSA-N 1 0 354.410 2.593 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CCc2c[nH]c3cc(F)ccc23)c1 ZINC000581879388 518484060 /nfs/dbraw/zinc/48/40/60/518484060.db2.gz HMOJHJJZQRDFDJ-MRXNPFEDSA-N 1 0 373.384 2.787 20 5 FFBDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000582010426 518545289 /nfs/dbraw/zinc/54/52/89/518545289.db2.gz AZAPOQVMSVSQNP-JTQLQIEISA-N 1 0 358.236 2.816 20 5 FFBDRO [NH3+]C[C@@H]1c2ccccc2CCN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000567502340 518558223 /nfs/dbraw/zinc/55/82/23/518558223.db2.gz HWBMIJKGBLMANK-QGZVFWFLSA-N 1 0 374.828 2.745 20 5 FFBDRO O=[N+]([O-])c1cccc(Cl)c1C[NH2+][C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC000573286427 518592463 /nfs/dbraw/zinc/59/24/63/518592463.db2.gz BOLLBFZRRDUEPC-WBVHZDCISA-N 1 0 353.850 2.981 20 5 FFBDRO CC(C)C[C@](C)(C[NH3+])NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000564835113 518642374 /nfs/dbraw/zinc/64/23/74/518642374.db2.gz ONSPBWXRSHXPIH-CQSZACIVSA-N 1 0 358.236 2.851 20 5 FFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000579376485 518651426 /nfs/dbraw/zinc/65/14/26/518651426.db2.gz SPDCCAOKOPDTNM-PZJWPPBQSA-N 1 0 367.449 2.809 20 5 FFBDRO Cc1cn2c(n1)[C@H](C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])CCC2 ZINC000564851853 518653354 /nfs/dbraw/zinc/65/33/54/518653354.db2.gz GQDHTBCWSVPXMB-AWEZNQCLSA-N 1 0 357.414 2.596 20 5 FFBDRO C[C@@H](CNC(=O)N(C)CCc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC000570591085 518682472 /nfs/dbraw/zinc/68/24/72/518682472.db2.gz DQVRRWMYTQQORM-HOTGVXAUSA-N 1 0 362.474 2.899 20 5 FFBDRO C[C@@H](Nc1ccc(C(=O)NCC2([NH3+])CCC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000582358631 518714996 /nfs/dbraw/zinc/71/49/96/518714996.db2.gz HJJBFKHFORVKSG-CYBMUJFWSA-N 1 0 369.425 2.774 20 5 FFBDRO CCc1ccc(S(=O)(=O)NCc2ccc([C@H](C)[NH3+])cc2)cc1[N+](=O)[O-] ZINC000564960343 518715465 /nfs/dbraw/zinc/71/54/65/518715465.db2.gz PUEAFGRCPGBAPG-LBPRGKRZSA-N 1 0 363.439 2.655 20 5 FFBDRO O=[N+]([O-])c1cc(Br)cnc1N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000573585892 518738797 /nfs/dbraw/zinc/73/87/97/518738797.db2.gz QNCKYIRVXSEJNT-LLVKDONJSA-N 1 0 355.236 2.578 20 5 FFBDRO C[C@H](Cn1ncc2ccccc2c1=O)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000582430559 518750676 /nfs/dbraw/zinc/75/06/76/518750676.db2.gz APEDBVOPAMMAQO-FZKQIMNGSA-N 1 0 364.405 2.970 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@]2([NH+](C)C)CCC[C@H](C)C2)n1 ZINC000582478647 518773046 /nfs/dbraw/zinc/77/30/46/518773046.db2.gz XHOHTOFGTWYUAL-SJCJKPOMSA-N 1 0 350.419 2.699 20 5 FFBDRO CSc1ccc(F)cc1C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000573676999 518781639 /nfs/dbraw/zinc/78/16/39/518781639.db2.gz XYKLGZIVVBRVPB-CQSZACIVSA-N 1 0 366.414 2.985 20 5 FFBDRO CSCC1CCC([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000570794681 518782925 /nfs/dbraw/zinc/78/29/25/518782925.db2.gz DKINIKPLMIHCMB-ZBCRRDGASA-N 1 0 354.472 2.846 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@H]1CCC2(CCCCC2)O1 ZINC000570837554 518805331 /nfs/dbraw/zinc/80/53/31/518805331.db2.gz YUDXUMUVQOEWJL-HZPDHXFCSA-N 1 0 364.442 2.806 20 5 FFBDRO [NH3+][C@H](CCC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)c1ccccc1 ZINC000573840095 518860938 /nfs/dbraw/zinc/86/09/38/518860938.db2.gz MAGQAFNSVVTHKN-LJQANCHMSA-N 1 0 368.437 2.724 20 5 FFBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000573852970 518865905 /nfs/dbraw/zinc/86/59/05/518865905.db2.gz JJIVMJBOJKNIRH-CQSZACIVSA-N 1 0 359.430 2.631 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC000582692917 518874631 /nfs/dbraw/zinc/87/46/31/518874631.db2.gz JBKQSPHPUVMBEI-CTNGQTDRSA-N 1 0 369.465 2.876 20 5 FFBDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3ccc(Cl)cc3[N+](=O)[O-])[C@H]2C1 ZINC000588978431 518887557 /nfs/dbraw/zinc/88/75/57/518887557.db2.gz GNYLDTUHJDOUSI-BPUTZDHNSA-N 1 0 351.834 2.985 20 5 FFBDRO CC(C)[C@@H]1C[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CCCO1 ZINC000579858520 518890609 /nfs/dbraw/zinc/89/06/09/518890609.db2.gz FDFJXHKPAYMXHH-KRWDZBQOSA-N 1 0 363.414 2.640 20 5 FFBDRO CC1(c2ccccc2)CCC([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000571158652 518955470 /nfs/dbraw/zinc/95/54/70/518955470.db2.gz RDRGEUDEHLCSAC-AVAKVYKDSA-N 1 0 358.442 2.642 20 5 FFBDRO COc1cc(C[NH2+]C[C@@H](CO)c2ccccc2Cl)c([N+](=O)[O-])cc1O ZINC000565443662 518958522 /nfs/dbraw/zinc/95/85/22/518958522.db2.gz MFNYRADWPCBFCA-LBPRGKRZSA-N 1 0 366.801 2.828 20 5 FFBDRO CN1CC[C@@H]([NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1 ZINC000589267644 518968538 /nfs/dbraw/zinc/96/85/38/518968538.db2.gz CMDHYZBUXSCCDU-QUCCMNQESA-N 1 0 368.437 2.958 20 5 FFBDRO Cc1c(C[N@H+](C)CCn2cc(Br)cn2)cccc1[N+](=O)[O-] ZINC000568321278 518979239 /nfs/dbraw/zinc/97/92/39/518979239.db2.gz HDBBTLXYPJRRLK-UHFFFAOYSA-N 1 0 353.220 2.994 20 5 FFBDRO CC(C)(C)NS(=O)(=O)CC[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000580052269 518981736 /nfs/dbraw/zinc/98/17/36/518981736.db2.gz YSASEHCOOQJFHW-MRXNPFEDSA-N 1 0 369.487 2.670 20 5 FFBDRO COc1ccc(C(=O)NCC[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000565551576 519015316 /nfs/dbraw/zinc/01/53/16/519015316.db2.gz YCYFFGKWMYWMLR-QGZVFWFLSA-N 1 0 355.394 2.610 20 5 FFBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000577315307 519018121 /nfs/dbraw/zinc/01/81/21/519018121.db2.gz TZBSIUWCGJMKBA-INIZCTEOSA-N 1 0 373.457 2.792 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCCCC[C@H]2C[C@H](C)O)c1 ZINC000589518592 519023951 /nfs/dbraw/zinc/02/39/51/519023951.db2.gz ZVZJQDJXLLWYLH-BBRMVZONSA-N 1 0 350.415 2.897 20 5 FFBDRO Cc1ccc(C[C@H](C)[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)s1 ZINC000568502570 519073088 /nfs/dbraw/zinc/07/30/88/519073088.db2.gz WBNIOHZMJWRYLT-WFASDCNBSA-N 1 0 350.440 2.925 20 5 FFBDRO Cc1ccc(OC[C@@H](O)C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000574312429 519094311 /nfs/dbraw/zinc/09/43/11/519094311.db2.gz JQKODEVFKBNGPL-KRWDZBQOSA-N 1 0 360.410 2.620 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@H]2CCCCC2(F)F)cc1 ZINC000571433275 519094413 /nfs/dbraw/zinc/09/44/13/519094413.db2.gz VXBQCTUABFWGOD-GFCCVEGCSA-N 1 0 362.398 2.784 20 5 FFBDRO C[NH2+][C@H]1CCN([C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C1 ZINC000568631005 519139387 /nfs/dbraw/zinc/13/93/87/519139387.db2.gz YIOKFTCPWHUWNJ-LPHOPBHVSA-N 1 0 368.437 2.877 20 5 FFBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000590158193 519164226 /nfs/dbraw/zinc/16/42/26/519164226.db2.gz FTMVXKVELBDBID-MNOVXSKESA-N 1 0 357.332 2.970 20 5 FFBDRO CC1CCN(c2ccc(C(=O)NCCC[NH2+]C3CC3)cc2[N+](=O)[O-])CC1 ZINC000577612148 519168286 /nfs/dbraw/zinc/16/82/86/519168286.db2.gz HSOZSWXDFPBFFD-UHFFFAOYSA-N 1 0 360.458 2.703 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CC(c2ccccc2)c2ccccc2)c1 ZINC000577621811 519173260 /nfs/dbraw/zinc/17/32/60/519173260.db2.gz FDXKPPBLNOQIGV-IBGZPJMESA-N 1 0 366.421 2.574 20 5 FFBDRO C[C@]1(CNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CCC[NH2+]C1 ZINC000574511636 519189714 /nfs/dbraw/zinc/18/97/14/519189714.db2.gz PTDWQGAHFHZEPJ-KRWDZBQOSA-N 1 0 360.439 2.838 20 5 FFBDRO C[C@H]1CCCN(c2ccc(C(=O)NC3CC([NH+](C)C)C3)cc2[N+](=O)[O-])C1 ZINC000590355858 519207451 /nfs/dbraw/zinc/20/74/51/519207451.db2.gz JQHUJHQKZGAYLU-JEYLPNPQSA-N 1 0 360.458 2.654 20 5 FFBDRO C[NH+]1CCC2(CCN(c3ncc(Br)cc3[N+](=O)[O-])C2)CC1 ZINC000590568155 519268444 /nfs/dbraw/zinc/26/84/44/519268444.db2.gz XMZBWLZNMPIWAD-UHFFFAOYSA-N 1 0 355.236 2.674 20 5 FFBDRO COC(=O)c1c(Cl)c(NCCCC[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000590573229 519272102 /nfs/dbraw/zinc/27/21/02/519272102.db2.gz VIMYWDMWYYOZAR-UHFFFAOYSA-N 1 0 371.821 2.559 20 5 FFBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C1 ZINC000571782402 519273724 /nfs/dbraw/zinc/27/37/24/519273724.db2.gz ORQQJEADKXOTBK-ZIAGYGMSSA-N 1 0 373.457 2.836 20 5 FFBDRO COC(=O)c1ccnc(N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000590579368 519273985 /nfs/dbraw/zinc/27/39/85/519273985.db2.gz YSMFMZLILOKTIC-OAHLLOKOSA-N 1 0 370.409 2.853 20 5 FFBDRO CN1CC[NH+](CCCCN[C@@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)CC1 ZINC000566073990 519283298 /nfs/dbraw/zinc/28/32/98/519283298.db2.gz QCUKJIGIKHGIFI-INIZCTEOSA-N 1 0 374.407 2.815 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@H](c3ccccn3)C2)c1 ZINC000590602690 519286285 /nfs/dbraw/zinc/28/62/85/519286285.db2.gz VTQMLTRXAQRLKZ-DOTOQJQBSA-N 1 0 357.410 2.609 20 5 FFBDRO CO[C@H](C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2)Cc1ccccc1 ZINC000590655535 519303584 /nfs/dbraw/zinc/30/35/84/519303584.db2.gz VHRYCNPYZDNYTL-INIZCTEOSA-N 1 0 358.394 2.713 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H]2C[C@@H]2C2CCCCC2)cc1 ZINC000566118339 519312704 /nfs/dbraw/zinc/31/27/04/519312704.db2.gz UPTFSVNORADEMM-SJORKVTESA-N 1 0 352.456 2.927 20 5 FFBDRO C[NH+](C)CCc1ccccc1NC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000574750755 519313471 /nfs/dbraw/zinc/31/34/71/519313471.db2.gz BDICRYMWOCICLD-QGZVFWFLSA-N 1 0 359.426 2.551 20 5 FFBDRO O=C(CC[NH2+][C@H]1CCN(c2ccc(F)cc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000568990414 519320313 /nfs/dbraw/zinc/32/03/13/519320313.db2.gz CXSKLEVNCPRCMX-HNNXBMFYSA-N 1 0 372.400 2.931 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@@](C)(C[NH3+])CC(C)C)cc1SC ZINC000571873557 519321620 /nfs/dbraw/zinc/32/16/20/519321620.db2.gz QJXSXYLUVYFQIG-MRXNPFEDSA-N 1 0 355.460 2.819 20 5 FFBDRO CC(C)(C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(Cl)c1F ZINC000566131873 519322975 /nfs/dbraw/zinc/32/29/75/519322975.db2.gz QIXGVFRJGKGTIF-GFCCVEGCSA-N 1 0 370.812 2.512 20 5 FFBDRO O=C(NC1CC([NH+]2CCCCC2)C1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000578058800 519396089 /nfs/dbraw/zinc/39/60/89/519396089.db2.gz HEHFSWLHFBDIGD-UHFFFAOYSA-N 1 0 374.441 2.516 20 5 FFBDRO Cc1c(Br)cc(C(=O)NC[C@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000583829252 519455591 /nfs/dbraw/zinc/45/55/91/519455591.db2.gz RVIWZECDHFGUCC-VIFPVBQESA-N 1 0 358.236 2.593 20 5 FFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCCOCC(F)(F)F)n1 ZINC000583911461 519495096 /nfs/dbraw/zinc/49/50/96/519495096.db2.gz HGRCRGUNIVWRFL-NEPJUHHUSA-N 1 0 350.341 2.834 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+][C@H]2CCc3cc(N)ccc32)cc1[N+](=O)[O-] ZINC000566489990 519519268 /nfs/dbraw/zinc/51/92/68/519519268.db2.gz BJWIOVADVIZLNI-INIZCTEOSA-N 1 0 371.393 2.506 20 5 FFBDRO Cc1cn2c(n1)[C@H](C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)CCC2 ZINC000575206888 519554475 /nfs/dbraw/zinc/55/44/75/519554475.db2.gz IZWCHFSOKIWCGK-JYJNAYRXSA-N 1 0 358.446 2.947 20 5 FFBDRO CC[C@H]1CN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CC[C@H]1[NH3+] ZINC000591279351 519572519 /nfs/dbraw/zinc/57/25/19/519572519.db2.gz MMKJHNMVCDQQDF-GXSJLCMTSA-N 1 0 358.345 2.787 20 5 FFBDRO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000591306423 519583038 /nfs/dbraw/zinc/58/30/38/519583038.db2.gz WBLVEMMZBQJRLL-TVQRCGJNSA-N 1 0 369.219 2.573 20 5 FFBDRO CN(C(=O)C[NH2+]C1(c2ccc3c(c2)OCO3)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000572389315 519590307 /nfs/dbraw/zinc/59/03/07/519590307.db2.gz LARAWQPESPWJIY-UHFFFAOYSA-N 1 0 369.377 2.565 20 5 FFBDRO Cc1cccc(C)c1OCC[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000578435567 519591176 /nfs/dbraw/zinc/59/11/76/519591176.db2.gz HPXCOSMAEMMMBT-KRWDZBQOSA-N 1 0 360.410 2.620 20 5 FFBDRO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000591357239 519607121 /nfs/dbraw/zinc/60/71/21/519607121.db2.gz SNAFJLUAPNFQEK-FZMZJTMJSA-N 1 0 372.347 2.507 20 5 FFBDRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000569595481 519624351 /nfs/dbraw/zinc/62/43/51/519624351.db2.gz XUNHHCHPBOBTFZ-GLKRBJQHSA-N 1 0 355.822 2.520 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](c1ccccc1)C1(CO)CC=CC1 ZINC000602851304 519923870 /nfs/dbraw/zinc/92/38/70/519923870.db2.gz VLLVMLASLWAYBF-GOSISDBHSA-N 1 0 356.426 2.759 20 5 FFBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]C[C@@H]1CC13CCSCC3)OCCO2 ZINC000591504084 519935103 /nfs/dbraw/zinc/93/51/03/519935103.db2.gz AIQFTCMQCGMYNJ-ZDUSSCGKSA-N 1 0 350.440 2.989 20 5 FFBDRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000594417278 519952317 /nfs/dbraw/zinc/95/23/17/519952317.db2.gz BKYCBSTXESAQEC-DLBZAZTESA-N 1 0 370.409 2.595 20 5 FFBDRO O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594419215 519953277 /nfs/dbraw/zinc/95/32/77/519953277.db2.gz PIKLCMFPNBITGP-DLBZAZTESA-N 1 0 359.426 2.691 20 5 FFBDRO COc1ccc(NC(=O)CC[NH+]2CCC(SC)CC2)c([N+](=O)[O-])c1 ZINC000602923720 519974037 /nfs/dbraw/zinc/97/40/37/519974037.db2.gz VIGUWKLIUGYPKO-UHFFFAOYSA-N 1 0 353.444 2.759 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N3CC[NH2+]CC3(C)C)cc2[N+](=O)[O-])C1 ZINC000591678567 519994953 /nfs/dbraw/zinc/99/49/53/519994953.db2.gz YKHDMUWXYYHFIH-CQSZACIVSA-N 1 0 360.458 2.655 20 5 FFBDRO C[C@H]1CCCN(c2ccc(C(=O)N3CC[NH2+]CC3(C)C)cc2[N+](=O)[O-])C1 ZINC000591678566 519995121 /nfs/dbraw/zinc/99/51/21/519995121.db2.gz YKHDMUWXYYHFIH-AWEZNQCLSA-N 1 0 360.458 2.655 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2nnc(N3CC[NH+](C4CC4)CC3)n2CC2CC2)c1 ZINC000597406413 520006237 /nfs/dbraw/zinc/00/62/37/520006237.db2.gz JFJSXACWKXKRAN-UHFFFAOYSA-N 1 0 368.441 2.548 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CCc1c[nH]c2cc(F)ccc12 ZINC000591728752 520014438 /nfs/dbraw/zinc/01/44/38/520014438.db2.gz CBJQTGDGVDKOJL-OAHLLOKOSA-N 1 0 373.384 2.787 20 5 FFBDRO Cc1cc(C)cc(OCC[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000591729286 520014966 /nfs/dbraw/zinc/01/49/66/520014966.db2.gz XMXWVKQWOZUJOT-MRXNPFEDSA-N 1 0 360.410 2.620 20 5 FFBDRO C[C@H](C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])Oc1ccc(F)cc1 ZINC000591744979 520018859 /nfs/dbraw/zinc/01/88/59/520018859.db2.gz YHMMUJCVXGDVFH-HIFRSBDPSA-N 1 0 364.373 2.531 20 5 FFBDRO CC[NH+](CC)[C@H](C)CNc1ccc([N+](=O)[O-])c(N2CCOCC2)c1F ZINC000594544703 520019401 /nfs/dbraw/zinc/01/94/01/520019401.db2.gz YZTLYZOPKIQMII-CYBMUJFWSA-N 1 0 354.426 2.713 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]C[C@@H](O)COCc1ccccc1 ZINC000591758797 520024500 /nfs/dbraw/zinc/02/45/00/520024500.db2.gz MDUVVWFCBYDJKH-QGZVFWFLSA-N 1 0 364.829 2.958 20 5 FFBDRO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000597440869 520029087 /nfs/dbraw/zinc/02/90/87/520029087.db2.gz NYLLYKAYBLWRAI-CYBMUJFWSA-N 1 0 372.347 2.555 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(C(N)=O)(c2ccccc2)CC1 ZINC000612578565 520030512 /nfs/dbraw/zinc/03/05/12/520030512.db2.gz WHBTZTXVZCGROG-UHFFFAOYSA-N 1 0 353.422 2.922 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)nccc2N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000594601605 520048757 /nfs/dbraw/zinc/04/87/57/520048757.db2.gz XVGIJYZHNOECMQ-OAHLLOKOSA-N 1 0 356.426 2.834 20 5 FFBDRO CCc1ccc(C(=O)N2CCCN(c3cc[nH+]cc3)CC2)cc1[N+](=O)[O-] ZINC000603084615 520070155 /nfs/dbraw/zinc/07/01/55/520070155.db2.gz VRAZOGXJUZDOAR-UHFFFAOYSA-N 1 0 354.410 2.905 20 5 FFBDRO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000600228466 520140448 /nfs/dbraw/zinc/14/04/48/520140448.db2.gz AYOSVGPIIUHGBZ-CYBMUJFWSA-N 1 0 367.396 2.939 20 5 FFBDRO CCCN(C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1CC[N@H+](C)C1 ZINC000592024736 520140597 /nfs/dbraw/zinc/14/05/97/520140597.db2.gz YBHTZBVMPLNQMB-MRXNPFEDSA-N 1 0 373.457 2.744 20 5 FFBDRO C[N@@H+](Cc1ccccc1)C[C@H](O)Cn1ccnc1-c1ccc([N+](=O)[O-])cc1 ZINC000608860478 520147010 /nfs/dbraw/zinc/14/70/10/520147010.db2.gz PNHMDNWEESLRBG-IBGZPJMESA-N 1 0 366.421 2.951 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000608905309 520158968 /nfs/dbraw/zinc/15/89/68/520158968.db2.gz BMFJPQXSVCICEV-JSGCOSHPSA-N 1 0 367.833 2.712 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000597717014 520193383 /nfs/dbraw/zinc/19/33/83/520193383.db2.gz VZQPRRDMMRVYAW-LJQANCHMSA-N 1 0 361.442 2.616 20 5 FFBDRO COc1ccc(N2C[C@@H]([NH2+]Cc3ccc(OC)c([N+](=O)[O-])c3)CC2=O)cc1 ZINC000594965378 520231967 /nfs/dbraw/zinc/23/19/67/520231967.db2.gz GFAVKFRFDSJGDQ-AWEZNQCLSA-N 1 0 371.393 2.507 20 5 FFBDRO Cc1ccc(C[NH2+]C2CCN(C(=O)CC(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC000609223702 520237239 /nfs/dbraw/zinc/23/72/39/520237239.db2.gz IKXXVSXWKYLNNE-UHFFFAOYSA-N 1 0 359.348 2.936 20 5 FFBDRO CN1CCN(Cc2ccccc2)[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000594993104 520245500 /nfs/dbraw/zinc/24/55/00/520245500.db2.gz BKXMMJCUIKBBKA-FQEVSTJZSA-N 1 0 354.454 2.501 20 5 FFBDRO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)[C@@H]1SC ZINC000592174375 520245952 /nfs/dbraw/zinc/24/59/52/520245952.db2.gz RLNYHNINWWILBL-ZCDTZLGTSA-N 1 0 367.471 2.729 20 5 FFBDRO C[NH+](C)[C@H](CNC(=O)CCNc1ccccc1[N+](=O)[O-])c1ccsc1 ZINC000603522790 520296047 /nfs/dbraw/zinc/29/60/47/520296047.db2.gz AFDXUJAQRHZYPF-MRXNPFEDSA-N 1 0 362.455 2.877 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC[C@@H](C)[C@H]2CCC[NH3+])c1C ZINC000595117936 520303411 /nfs/dbraw/zinc/30/34/11/520303411.db2.gz HASLFLNXAABLAZ-MLGOLLRUSA-N 1 0 369.487 2.740 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@](C)(CO)c1ccccc1 ZINC000609483814 520327245 /nfs/dbraw/zinc/32/72/45/520327245.db2.gz IINSWTSPEUPJPJ-LJQANCHMSA-N 1 0 357.410 2.729 20 5 FFBDRO C[C@@H](CCNC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1)[NH+](C)C ZINC000597995428 520366683 /nfs/dbraw/zinc/36/66/83/520366683.db2.gz GFHBVRLBKFOAEN-HNNXBMFYSA-N 1 0 362.474 2.901 20 5 FFBDRO Cc1c(CNC(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)cccc1[N+](=O)[O-] ZINC000595273415 520382227 /nfs/dbraw/zinc/38/22/27/520382227.db2.gz ANGNTJBFQUTTLC-QGZVFWFLSA-N 1 0 360.458 2.824 20 5 FFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@]2(CO)CCCN(Cc3ccccc3)C2)cc1 ZINC000609620441 520383269 /nfs/dbraw/zinc/38/32/69/520383269.db2.gz YXESOCGEVBUHAD-NRFANRHFSA-N 1 0 369.465 2.754 20 5 FFBDRO C[N@H+](Cc1ccc2nc(NC(=O)c3n[nH]cc3[N+](=O)[O-])sc2c1)C1CC1 ZINC000598028449 520384207 /nfs/dbraw/zinc/38/42/07/520384207.db2.gz NBVAFACHSBEDCP-UHFFFAOYSA-N 1 0 372.410 2.774 20 5 FFBDRO CC[C@@H]1CN(Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000592427616 520387032 /nfs/dbraw/zinc/38/70/32/520387032.db2.gz HWYPGLPDMPHNLI-DGCLKSJQSA-N 1 0 373.400 2.807 20 5 FFBDRO CC[C@@H]1CN(Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000592427654 520387562 /nfs/dbraw/zinc/38/75/62/520387562.db2.gz NJUMTADJDFZLPM-ZYHUDNBSSA-N 1 0 359.373 2.764 20 5 FFBDRO COc1cc(CN(C)C2C[NH2+]C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000592435746 520390211 /nfs/dbraw/zinc/39/02/11/520390211.db2.gz XCIDWRMTQFFLSN-UHFFFAOYSA-N 1 0 357.410 2.586 20 5 FFBDRO NC(=O)c1cc([N+](=O)[O-])cnc1Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000603942705 520410116 /nfs/dbraw/zinc/41/01/16/520410116.db2.gz KFDMFYFSBWPPDT-UHFFFAOYSA-N 1 0 369.425 2.861 20 5 FFBDRO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000609758168 520422716 /nfs/dbraw/zinc/42/27/16/520422716.db2.gz NOUKHRXLUCVXKX-PBHICJAKSA-N 1 0 356.426 2.635 20 5 FFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3cnc4ccccc4n3)C2)nc1 ZINC000595371688 520436099 /nfs/dbraw/zinc/43/60/99/520436099.db2.gz RCBYLGMTOOSOGM-CYBMUJFWSA-N 1 0 350.382 2.619 20 5 FFBDRO O=[N+]([O-])c1ccc2ncnc(NC[C@@H](c3ccco3)[NH+]3CCCC3)c2c1 ZINC000609849616 520456698 /nfs/dbraw/zinc/45/66/98/520456698.db2.gz RWILJYPGKILLRN-INIZCTEOSA-N 1 0 353.382 2.802 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000592568702 520458108 /nfs/dbraw/zinc/45/81/08/520458108.db2.gz NMEGZAMGEMYQFJ-WCQYABFASA-N 1 0 367.833 2.806 20 5 FFBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H]2COCCN2)ccc1Oc1ccc(F)cc1 ZINC000600773381 520461672 /nfs/dbraw/zinc/46/16/72/520461672.db2.gz HJLAXOYMDBJNPQ-HNNXBMFYSA-N 1 0 361.373 2.604 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H]3COCCN3)o2)c(Cl)c1 ZINC000600777621 520462549 /nfs/dbraw/zinc/46/25/49/520462549.db2.gz VNGQIABLTOZGIC-LLVKDONJSA-N 1 0 351.790 2.586 20 5 FFBDRO C[C@H](c1ccccc1)[C@H](CO)[NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000613388993 520478173 /nfs/dbraw/zinc/47/81/73/520478173.db2.gz AYDMBNKEKICCSL-GLJUWKHASA-N 1 0 357.410 2.676 20 5 FFBDRO C[C@H]([NH2+][C@@H](CO)[C@@H](C)c1ccccc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000613389176 520479372 /nfs/dbraw/zinc/47/93/72/520479372.db2.gz KDLCXKDYFPSDIQ-ZQIUZPCESA-N 1 0 357.410 2.676 20 5 FFBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CC2(O)Cc3ccccc3C2)c1 ZINC000610010186 520506086 /nfs/dbraw/zinc/50/60/86/520506086.db2.gz MJAPXWPHANKLOP-UHFFFAOYSA-N 1 0 364.348 2.816 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)c1 ZINC000598261526 520525695 /nfs/dbraw/zinc/52/56/95/520525695.db2.gz GIJYRVCLGHNJIV-INIZCTEOSA-N 1 0 363.458 2.909 20 5 FFBDRO CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000598342706 520566810 /nfs/dbraw/zinc/56/68/10/520566810.db2.gz PEDGJYFGEITAMZ-LLVKDONJSA-N 1 0 356.220 2.571 20 5 FFBDRO COCCC[N@H+](C)CCNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000610208278 520580976 /nfs/dbraw/zinc/58/09/76/520580976.db2.gz SUJMKWNLFZCNBN-UHFFFAOYSA-N 1 0 351.447 2.590 20 5 FFBDRO CCOc1cc(C[NH2+][C@H](CO)[C@@H]2CCC[C@H](OC)C2)ccc1[N+](=O)[O-] ZINC000595632367 520609243 /nfs/dbraw/zinc/60/92/43/520609243.db2.gz NUWGGBXVVOFLIK-OWCLPIDISA-N 1 0 352.431 2.649 20 5 FFBDRO CCOc1cc(C[NH2+][C@H](CO)[C@@H]2CCC[C@@H](OC)C2)ccc1[N+](=O)[O-] ZINC000595632365 520609838 /nfs/dbraw/zinc/60/98/38/520609838.db2.gz NUWGGBXVVOFLIK-BZUAXINKSA-N 1 0 352.431 2.649 20 5 FFBDRO CC(C)c1ccc(C[NH2+][C@@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)cc1[N+](=O)[O-] ZINC000610272441 520616574 /nfs/dbraw/zinc/61/65/74/520616574.db2.gz SSUPUXXMRMZZDA-CXAGYDPISA-N 1 0 371.441 2.735 20 5 FFBDRO CC(=O)c1cc([N+](=O)[O-])ccc1OC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000601068539 520622458 /nfs/dbraw/zinc/62/24/58/520622458.db2.gz GOYQBMOSNMHCKD-HXUWFJFHSA-N 1 0 370.405 2.813 20 5 FFBDRO C[C@@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])c1nccn1C ZINC000598459224 520628486 /nfs/dbraw/zinc/62/84/86/520628486.db2.gz FUCYOVHVLQLGDM-ZJUUUORDSA-N 1 0 352.778 2.626 20 5 FFBDRO C[C@H]1c2ccccc2C[C@H]1[NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000595706197 520664872 /nfs/dbraw/zinc/66/48/72/520664872.db2.gz IVKNOQJGEMUJFF-SMDDNHRTSA-N 1 0 369.377 2.580 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@]2(C)CCCC[C@H]2C(=O)OC)c1 ZINC000593019868 520687877 /nfs/dbraw/zinc/68/78/77/520687877.db2.gz RRWIVFLRUNGJQT-KBXCAEBGSA-N 1 0 364.398 2.593 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@H](CO)[C@@H](C)c2ccccc2)c1 ZINC000593024424 520690771 /nfs/dbraw/zinc/69/07/71/520690771.db2.gz DOHYXWWECRHGPD-SUMWQHHRSA-N 1 0 358.394 2.636 20 5 FFBDRO CC1([NH+]2CCCC2)CCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000601215937 520691270 /nfs/dbraw/zinc/69/12/70/520691270.db2.gz JEDRCSSGXIFAEP-UHFFFAOYSA-N 1 0 373.500 2.515 20 5 FFBDRO Cc1cc(OCC(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000598557363 520703839 /nfs/dbraw/zinc/70/38/39/520703839.db2.gz FSVVIFAFCZTFGV-INIZCTEOSA-N 1 0 361.442 2.520 20 5 FFBDRO O=C(CCNc1ccccc1[N+](=O)[O-])NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000598558026 520704150 /nfs/dbraw/zinc/70/41/50/520704150.db2.gz BLBQXITUOCKFPA-INIZCTEOSA-N 1 0 360.458 2.635 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+]2CCC([C@@H]3CCCCO3)CC2)c1 ZINC000595785223 520721535 /nfs/dbraw/zinc/72/15/35/520721535.db2.gz CSYYINXGHKLDEV-MJGOQNOKSA-N 1 0 364.442 2.616 20 5 FFBDRO CCOc1cc(C[N@H+](CCN2CCOCC2)CC2CC2)ccc1[N+](=O)[O-] ZINC000595806769 520740054 /nfs/dbraw/zinc/74/00/54/520740054.db2.gz GCBRIWMZIYDVHE-UHFFFAOYSA-N 1 0 363.458 2.538 20 5 FFBDRO CN(CC[NH+]1CCCCC1)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000593110942 520752380 /nfs/dbraw/zinc/75/23/80/520752380.db2.gz ABEXOIZZISRVKZ-UHFFFAOYSA-N 1 0 354.838 2.604 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(c2ccon2)CC1 ZINC000595828798 520754430 /nfs/dbraw/zinc/75/44/30/520754430.db2.gz MPJVSLGBSHEVSP-UHFFFAOYSA-N 1 0 374.397 2.800 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000593119418 520758996 /nfs/dbraw/zinc/75/89/96/520758996.db2.gz YHUDPPYXTKEVEZ-HNNXBMFYSA-N 1 0 355.341 2.663 20 5 FFBDRO [NH3+][C@@]12CCC[C@H]1CN(C(=O)c1csc(-c3ccc([N+](=O)[O-])cc3)n1)C2 ZINC000598669348 520776529 /nfs/dbraw/zinc/77/65/29/520776529.db2.gz HXIPLVCLEXRVPI-YVEFUNNKSA-N 1 0 358.423 2.672 20 5 FFBDRO COc1cc(C[N@@H+]2C[C@H](C)[C@](C)(CO)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000595875155 520783104 /nfs/dbraw/zinc/78/31/04/520783104.db2.gz PUUKXAOPVDVDSO-QFYYESIMSA-N 1 0 360.357 2.655 20 5 FFBDRO COc1ccc(OCCN2c3ccccc3CC[C@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000595902684 520809611 /nfs/dbraw/zinc/80/96/11/520809611.db2.gz FQZXSKXJRIPMAH-HNNXBMFYSA-N 1 0 357.410 2.762 20 5 FFBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2[C@H](C)C[N@H+](C)[C@@H](C)[C@@H]2C)cc1OC ZINC000593188157 520810858 /nfs/dbraw/zinc/81/08/58/520810858.db2.gz WWZMRGRAPJDZFP-AGIUHOORSA-N 1 0 365.430 2.555 20 5 FFBDRO Cc1cccc(C(=O)N2CC[C@H](OCC[NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000610733148 520819418 /nfs/dbraw/zinc/81/94/18/520819418.db2.gz NIXBFHCAURROTL-INIZCTEOSA-N 1 0 361.442 2.620 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CC[NH+]1CCCCC1 ZINC000593206331 520826993 /nfs/dbraw/zinc/82/69/93/520826993.db2.gz BXUOAARSSIHPKP-UHFFFAOYSA-N 1 0 350.419 2.943 20 5 FFBDRO CC(C)C[N@H+](C)CCCNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000593209825 520831501 /nfs/dbraw/zinc/83/15/01/520831501.db2.gz VGAGCLKNKAHZAC-UHFFFAOYSA-N 1 0 362.474 2.903 20 5 FFBDRO [NH3+]C[C@H]1OCC[C@H]1C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000595943209 520833925 /nfs/dbraw/zinc/83/39/25/520833925.db2.gz HMMHIWPCLXDMKB-IAGOWNOFSA-N 1 0 357.366 2.689 20 5 FFBDRO C[C@H]1C[C@H](C)CN(c2ccc(C(=O)N3CC4CC3(C[NH3+])C4)cc2[N+](=O)[O-])C1 ZINC000595944231 520834184 /nfs/dbraw/zinc/83/41/84/520834184.db2.gz FOYIJLJRFUODAV-NTBNARMZSA-N 1 0 372.469 2.640 20 5 FFBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N[C@]3(C)CC[NH2+]C3)cc2[N+](=O)[O-])C1 ZINC000595993637 520847012 /nfs/dbraw/zinc/84/70/12/520847012.db2.gz ZDSAPRWWYMAHDX-PJIJBLCYSA-N 1 0 360.458 2.559 20 5 FFBDRO NC(=O)c1cc(NC[C@H](c2ccco2)[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000596055490 520881799 /nfs/dbraw/zinc/88/17/99/520881799.db2.gz ULSUUZHDYOASBD-MRXNPFEDSA-N 1 0 358.398 2.926 20 5 FFBDRO COc1cc(N2CCC(C[NH+]3CCOCC3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596076036 520897180 /nfs/dbraw/zinc/89/71/80/520897180.db2.gz BENIWPFFBXTDSJ-UHFFFAOYSA-N 1 0 369.849 2.805 20 5 FFBDRO NC(=O)c1cc(N2CCC[N@H+](CC3CCCCC3)CC2)ccc1[N+](=O)[O-] ZINC000596084214 520902845 /nfs/dbraw/zinc/90/28/45/520902845.db2.gz XWZAFYCEDWKRHS-UHFFFAOYSA-N 1 0 360.458 2.786 20 5 FFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CNc2ccccc2C1 ZINC000593318225 520904848 /nfs/dbraw/zinc/90/48/48/520904848.db2.gz BSCOXNWHANSKIO-CJNGLKHVSA-N 1 0 354.410 2.938 20 5 FFBDRO C[NH+](C)CCn1cc(Nc2c(Br)cccc2[N+](=O)[O-])cn1 ZINC000596097341 520909629 /nfs/dbraw/zinc/90/96/29/520909629.db2.gz MLDAHDOPDBGOHY-UHFFFAOYSA-N 1 0 354.208 2.859 20 5 FFBDRO C[NH2+]C[C@H](C)NCc1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000596103219 520914573 /nfs/dbraw/zinc/91/45/73/520914573.db2.gz DANFCPKCNHRQFW-AWEZNQCLSA-N 1 0 359.426 2.880 20 5 FFBDRO NC(=O)c1cc(Nc2cccc(C[NH+]3CCSCC3)c2)ccc1[N+](=O)[O-] ZINC000596112712 520919643 /nfs/dbraw/zinc/91/96/43/520919643.db2.gz SOFPJPORMBLSPY-UHFFFAOYSA-N 1 0 372.450 2.986 20 5 FFBDRO C[C@@H](c1ccncc1)[NH+]1CCC(Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596171053 520950864 /nfs/dbraw/zinc/95/08/64/520950864.db2.gz DHAWKVAZENVRAV-ZDUSSCGKSA-N 1 0 369.425 2.726 20 5 FFBDRO CC[NH+](CC)Cc1ccc(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)o1 ZINC000618262326 520969123 /nfs/dbraw/zinc/96/91/23/520969123.db2.gz ATHZQVNAYBRIMK-UHFFFAOYSA-N 1 0 371.397 2.836 20 5 FFBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000593409385 520973028 /nfs/dbraw/zinc/97/30/28/520973028.db2.gz URAZENQLWPQKQP-ZIAGYGMSSA-N 1 0 351.422 2.761 20 5 FFBDRO COc1ccc(-c2ccc(C[N@@H+]3CC[C@@H](n4cncn4)C3)o2)c([N+](=O)[O-])c1 ZINC000614453115 520974394 /nfs/dbraw/zinc/97/43/94/520974394.db2.gz OEUFKMMEXRAVDL-CYBMUJFWSA-N 1 0 369.381 2.902 20 5 FFBDRO C[N@@H+]1CCCC[C@@H]1CN1CCN(c2ccc3cnccc3c2[N+](=O)[O-])CC1 ZINC000599042144 520995716 /nfs/dbraw/zinc/99/57/16/520995716.db2.gz KLHBYBLYIUUXCR-QGZVFWFLSA-N 1 0 369.469 2.749 20 5 FFBDRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1c(Br)cccc1[N+](=O)[O-] ZINC000599081000 521020965 /nfs/dbraw/zinc/02/09/65/521020965.db2.gz RNZFMPSWJROURB-RYUDHWBXSA-N 1 0 368.231 2.714 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCO[C@H](C(F)F)CC1 ZINC000601971035 521048388 /nfs/dbraw/zinc/04/83/88/521048388.db2.gz ABRZHGJWFBJRMF-AWEZNQCLSA-N 1 0 357.357 2.588 20 5 FFBDRO Cc1cc(N2CCC[C@H]3C[NH2+]CC[C@H]32)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000601982643 521057024 /nfs/dbraw/zinc/05/70/24/521057024.db2.gz KKUDHJDXJXRKCQ-DOTOQJQBSA-N 1 0 353.426 2.939 20 5 FFBDRO COCC(=O)NC1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000611261301 521064068 /nfs/dbraw/zinc/06/40/68/521064068.db2.gz KOZRJHSZNOIKRF-UHFFFAOYSA-N 1 0 373.409 2.582 20 5 FFBDRO COc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])cn2C)[NH+]2CCCC2)cc1 ZINC000618441209 521065159 /nfs/dbraw/zinc/06/51/59/521065159.db2.gz ACPHCVGPZXEPGA-GOSISDBHSA-N 1 0 372.425 2.509 20 5 FFBDRO CCOc1cc(NC[C@@H]2CN(Cc3ccncc3)CCO2)ccc1[N+](=O)[O-] ZINC000599183392 521075491 /nfs/dbraw/zinc/07/54/91/521075491.db2.gz LVWKCOOEODFBKH-QGZVFWFLSA-N 1 0 372.425 2.701 20 5 FFBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000599194026 521080594 /nfs/dbraw/zinc/08/05/94/521080594.db2.gz NTIOBGGRYNXKGK-NSHDSACASA-N 1 0 370.247 2.817 20 5 FFBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCc1ccc(C[NH3+])cc1F ZINC000593721293 521174554 /nfs/dbraw/zinc/17/45/54/521174554.db2.gz PBMIRSDSFPZZHM-UHFFFAOYSA-N 1 0 360.389 2.577 20 5 FFBDRO C[NH+](C)[C@H]1C[C@H](NC(=O)c2c(Br)cccc2[N+](=O)[O-])C1(C)C ZINC000602169122 521185407 /nfs/dbraw/zinc/18/54/07/521185407.db2.gz DZXUJRQNWPLWIY-RYUDHWBXSA-N 1 0 370.247 2.816 20 5 FFBDRO Nc1cc(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)cc(CO)c1[N+](=O)[O-] ZINC000611525553 521204000 /nfs/dbraw/zinc/20/40/00/521204000.db2.gz ZKXAGQSSCMFFAN-UHFFFAOYSA-N 1 0 374.416 2.521 20 5 FFBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CCC([NH+]3CCOCC3)CC2)c1 ZINC000599472078 521246191 /nfs/dbraw/zinc/24/61/91/521246191.db2.gz NJPMIHIUTDHGAH-UHFFFAOYSA-N 1 0 373.375 2.910 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@H](c2ccccn2)C2CCC2)c1 ZINC000599569133 521303901 /nfs/dbraw/zinc/30/39/01/521303901.db2.gz LHNJNLVIXDWIPH-LPHOPBHVSA-N 1 0 357.410 2.861 20 5 FFBDRO O=C(CSc1ccc([N+](=O)[O-])cc1F)NC1CC[NH+](C2CC2)CC1 ZINC000618964971 521321876 /nfs/dbraw/zinc/32/18/76/521321876.db2.gz OMPAUCWLVHLIIQ-UHFFFAOYSA-N 1 0 353.419 2.569 20 5 FFBDRO O=c1ccc([N+](=O)[O-])cn1CCN1CCc2c(cccc2C(F)(F)F)C1 ZINC000599614377 521332437 /nfs/dbraw/zinc/33/24/37/521332437.db2.gz LCFCJCQNPSWCAU-UHFFFAOYSA-N 1 0 367.327 2.834 20 5 FFBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000599614847 521334360 /nfs/dbraw/zinc/33/43/60/521334360.db2.gz VHZDMNVALZYKBT-UHFFFAOYSA-N 1 0 370.409 2.783 20 5 FFBDRO Cc1cnc(OC2CC[NH+](CCOc3ccccc3[N+](=O)[O-])CC2)nc1 ZINC000594018986 521352452 /nfs/dbraw/zinc/35/24/52/521352452.db2.gz BGANFQUECXYZFC-UHFFFAOYSA-N 1 0 358.398 2.615 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(CC)[C@H]1CC[N@H+](CC)C1 ZINC000596890183 521359530 /nfs/dbraw/zinc/35/95/30/521359530.db2.gz LDIGDGKZGDWQME-AWEZNQCLSA-N 1 0 350.419 2.942 20 5 FFBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3c(Br)cccc3[N+](=O)[O-])C[C@H]21 ZINC000602485408 521372381 /nfs/dbraw/zinc/37/23/81/521372381.db2.gz PDORSTAACJTPKU-HOSYDEDBSA-N 1 0 368.231 2.557 20 5 FFBDRO O=C(c1c(Br)cccc1[N+](=O)[O-])N1CCC2(CC[NH2+]C2)CC1 ZINC000602489903 521375044 /nfs/dbraw/zinc/37/50/44/521375044.db2.gz FRKCPVRMQOUHDC-UHFFFAOYSA-N 1 0 368.231 2.573 20 5 FFBDRO [NH3+]C[C@@H]1CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[C@@H]1C(F)(F)F ZINC000602540614 521402197 /nfs/dbraw/zinc/40/21/97/521402197.db2.gz LNKAHLYVVVLFBY-BDAKNGLRSA-N 1 0 365.739 2.848 20 5 FFBDRO Cc1cn2c(n1)C[C@@H](C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)CC2 ZINC000599696943 521409518 /nfs/dbraw/zinc/40/95/18/521409518.db2.gz MNWDNUMLXKAVDI-HNNXBMFYSA-N 1 0 354.410 2.853 20 5 FFBDRO C[C@@H](CCc1cccn1C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602556287 521409652 /nfs/dbraw/zinc/40/96/52/521409652.db2.gz KWCKSWMLVQPJJA-HNNXBMFYSA-N 1 0 357.458 2.908 20 5 FFBDRO CC(C)(C(=O)NCC[C@H]([NH3+])Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000602586354 521425715 /nfs/dbraw/zinc/42/57/15/521425715.db2.gz AJINGPOVJFIFLQ-KRWDZBQOSA-N 1 0 355.438 2.949 20 5 FFBDRO C[C@H]1C[C@@H](NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC[N@@H+]1C ZINC000607688856 521430032 /nfs/dbraw/zinc/43/00/32/521430032.db2.gz YRGSADQOVQSAEQ-HOTGVXAUSA-N 1 0 363.461 2.754 20 5 FFBDRO COCC[C@@H](Cc1ccco1)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602609584 521436176 /nfs/dbraw/zinc/43/61/76/521436176.db2.gz QLEIQJWRQJUURR-INIZCTEOSA-N 1 0 374.441 2.789 20 5 FFBDRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000594199235 521465491 /nfs/dbraw/zinc/46/54/91/521465491.db2.gz IGRAZEJQHLSKPD-ROUUACIJSA-N 1 0 369.425 2.527 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H]1c1ccc(O)cc1 ZINC000612094697 521478122 /nfs/dbraw/zinc/47/81/22/521478122.db2.gz RDOLKPSJLCNFGU-IAGOWNOFSA-N 1 0 358.394 2.877 20 5 FFBDRO C[C@@H]1CC[C@H](C(F)(F)F)C[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000612121696 521493993 /nfs/dbraw/zinc/49/39/93/521493993.db2.gz LHDBLEULJFWQIL-FRRDWIJNSA-N 1 0 362.348 2.997 20 5 FFBDRO Cc1cncc(CC[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)n1 ZINC000602719150 521494019 /nfs/dbraw/zinc/49/40/19/521494019.db2.gz YMBYWBWQFJAHAO-UHFFFAOYSA-N 1 0 357.233 2.850 20 5 FFBDRO O=C(Nc1ccc([N+](=O)[O-])c2ccncc12)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000599831170 521499618 /nfs/dbraw/zinc/49/96/18/521499618.db2.gz OXRQKZZJQGANMF-RDJZCZTQSA-N 1 0 355.398 2.891 20 5 FFBDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597102836 521507448 /nfs/dbraw/zinc/50/74/48/521507448.db2.gz YYSSGWSQDXIJHC-ZDUSSCGKSA-N 1 0 355.826 2.634 20 5 FFBDRO COc1ccc(OC)c(C[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C2CC2)c1 ZINC000602756802 521515894 /nfs/dbraw/zinc/51/58/94/521515894.db2.gz QFZIOEWNRAQOIA-UHFFFAOYSA-N 1 0 360.414 2.782 20 5 FFBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594284290 521536573 /nfs/dbraw/zinc/53/65/73/521536573.db2.gz UXLCAVWDTNONJK-QZTJIDSGSA-N 1 0 360.458 2.796 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+](Cc1ccc(F)cc1)C1CCOCC1 ZINC000602821684 521553213 /nfs/dbraw/zinc/55/32/13/521553213.db2.gz QLDNUAIJWJPTKS-UHFFFAOYSA-N 1 0 362.405 2.920 20 5 FFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CC[C@@H](Cn3ccnn3)C2)o1 ZINC000597173055 521554271 /nfs/dbraw/zinc/55/42/71/521554271.db2.gz CXMACPSGGBPNCI-CQSZACIVSA-N 1 0 353.382 2.968 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CCN1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000602828606 521557315 /nfs/dbraw/zinc/55/73/15/521557315.db2.gz HXDRXXVRNFRZOX-HXUWFJFHSA-N 1 0 369.469 2.698 20 5 FFBDRO Cn1cc(C[NH2+][C@@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)c([N+](=O)[O-])n1 ZINC000602839631 521564036 /nfs/dbraw/zinc/56/40/36/521564036.db2.gz WCMKPLGGAGIIMM-HUUCEWRRSA-N 1 0 367.812 2.656 20 5 FFBDRO O=C1CC[C@@H]2C[N@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)CC[C@@H]2N1 ZINC000597204734 521573426 /nfs/dbraw/zinc/57/34/26/521573426.db2.gz FTIYXYURHZAXIG-CJNGLKHVSA-N 1 0 355.394 2.955 20 5 FFBDRO COc1cc(C[NH2+]CC2CCC(O)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000597223147 521584361 /nfs/dbraw/zinc/58/43/61/521584361.db2.gz LQZOLUPTJOKUHA-UHFFFAOYSA-N 1 0 374.384 2.888 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2ccc(CN3CCC([N@@H+]4CC[C@H](O)C4)CC3)o2)c1 ZINC000597234861 521588288 /nfs/dbraw/zinc/58/82/88/521588288.db2.gz CEJIGTOWIVWPOV-SFHVURJKSA-N 1 0 371.437 2.886 20 5 FFBDRO Cn1cc(CN2CCO[C@](C)(C(F)F)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000597253143 521597335 /nfs/dbraw/zinc/59/73/35/521597335.db2.gz YHXRFXNHSLOUOZ-KRWDZBQOSA-N 1 0 366.368 2.851 20 5 FFBDRO Cn1cc(CN2CCCc3n[nH]cc3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000597257535 521599553 /nfs/dbraw/zinc/59/95/53/521599553.db2.gz GFHZMJQPSKMAGM-UHFFFAOYSA-N 1 0 352.398 2.667 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000619638906 521806401 /nfs/dbraw/zinc/80/64/01/521806401.db2.gz INYLIJPPIQWEMZ-ZDUSSCGKSA-N 1 0 350.419 2.988 20 5 FFBDRO CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000619804706 521881148 /nfs/dbraw/zinc/88/11/48/521881148.db2.gz AKSZWATUOFPAJD-QGZVFWFLSA-N 1 0 370.457 2.938 20 5 FFBDRO COc1ccc(C[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2)cc1[N+](=O)[O-] ZINC000737092566 598386285 /nfs/dbraw/zinc/38/62/85/598386285.db2.gz MURJTAWNMIEUOU-LLVKDONJSA-N 1 0 354.370 2.634 20 5 FFBDRO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1ccnc(-c2nn[nH]n2)c1 ZINC000824296663 607488144 /nfs/dbraw/zinc/48/81/44/607488144.db2.gz KAPXGEAEIZJMNJ-UHFFFAOYSA-N 1 0 353.386 2.581 20 5 FFBDRO CC[C@@H]([NH2+]CCOc1cccc(-c2nn[nH]n2)c1)c1cccc([N+](=O)[O-])c1 ZINC000825141420 608552157 /nfs/dbraw/zinc/55/21/57/608552157.db2.gz OHLZKQQMOUOWTA-QGZVFWFLSA-N 1 0 368.397 2.895 20 5 FFBDRO C[C@@H]([NH2+]CCCOc1ccc(-c2nn[nH]n2)cc1)c1ccccc1[N+](=O)[O-] ZINC000824592931 608563718 /nfs/dbraw/zinc/56/37/18/608563718.db2.gz PDFVMYMDBLFBCQ-CYBMUJFWSA-N 1 0 368.397 2.895 20 5 FFBDRO Cc1nc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)ncc1[N+](=O)[O-] ZINC001164631592 719108846 /nfs/dbraw/zinc/10/88/46/719108846.db2.gz YRCOQKILAOWBTJ-FUHWJXTLSA-N 1 0 353.426 2.794 20 5 FFBDRO CC(C)C[NH+]1CCN(c2nc(C(F)(F)F)nc(Cl)c2[N+](=O)[O-])CC1 ZINC001164657205 719337889 /nfs/dbraw/zinc/33/78/89/719337889.db2.gz BTDNDGXUSSHQFV-UHFFFAOYSA-N 1 0 367.759 2.835 20 5 FFBDRO CC[C@H]1CN(CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)CCS1 ZINC000154772869 728811419 /nfs/dbraw/zinc/81/14/19/728811419.db2.gz UKOZCLXDIAABFV-ZDUSSCGKSA-N 1 0 350.444 2.622 20 5 FFBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCc2ncc(Br)n2C1 ZINC000898727031 735401115 /nfs/dbraw/zinc/40/11/15/735401115.db2.gz QDBUDAQCHWFZQK-LLVKDONJSA-N 1 0 351.204 2.658 20 5 FFBDRO O=[N+]([O-])c1cc(Br)ccc1NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000112209254 728543191 /nfs/dbraw/zinc/54/31/91/728543191.db2.gz YCAFIDOFSBCMIU-NEPJUHHUSA-N 1 0 356.220 2.632 20 5 FFBDRO O=C(OCCN1CCSCC1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000127900477 728707550 /nfs/dbraw/zinc/70/75/50/728707550.db2.gz AGXSKOWVLBPJSX-UHFFFAOYSA-N 1 0 364.345 2.819 20 5 FFBDRO O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000129245670 728710737 /nfs/dbraw/zinc/71/07/37/728710737.db2.gz HPTMRMDYHNYYJT-ZDUSSCGKSA-N 1 0 357.332 2.924 20 5 FFBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](C[C@@H](O)c3ccc(Cl)cc3)C2)nc1 ZINC000173462981 729047581 /nfs/dbraw/zinc/04/75/81/729047581.db2.gz HSMKHPHUIUAFNR-GOEBONIOSA-N 1 0 362.817 2.863 20 5 FFBDRO COc1cc(CN2CCC([NH+](C)C)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000193818369 729490885 /nfs/dbraw/zinc/49/08/85/729490885.db2.gz QGJOTCVPJIHXDI-UHFFFAOYSA-N 1 0 359.373 2.731 20 5 FFBDRO C[NH+](C)CCn1cc(Nc2cccc(Br)c2[N+](=O)[O-])cn1 ZINC000856726550 730350591 /nfs/dbraw/zinc/35/05/91/730350591.db2.gz LMRBDMPUHYWNLO-UHFFFAOYSA-N 1 0 354.208 2.859 20 5 FFBDRO CC1(C)CC[C@H](CO)[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000856803220 730358881 /nfs/dbraw/zinc/35/88/81/730358881.db2.gz BGPNGQFPDKALRU-CYBMUJFWSA-N 1 0 353.394 2.545 20 5 FFBDRO CO[C@H]1C[N@H+](C)[C@@](C)(COC(=O)c2ccc(SC)c([N+](=O)[O-])c2)C1 ZINC000861340488 730600947 /nfs/dbraw/zinc/60/09/47/730600947.db2.gz HYSXHYBICRLLNI-MLGOLLRUSA-N 1 0 354.428 2.583 20 5 FFBDRO O=[N+]([O-])c1ccc(Cl)c(CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1 ZINC000863574893 730791770 /nfs/dbraw/zinc/79/17/70/730791770.db2.gz KOYSIGQZYJUMPS-INIZCTEOSA-N 1 0 353.850 2.839 20 5 FFBDRO C[C@]12C[NH2+]C[C@@]1(C)CN(Cc1c(Br)cccc1[N+](=O)[O-])C2 ZINC000863651600 730798970 /nfs/dbraw/zinc/79/89/70/730798970.db2.gz MJCNJKBIYIFHBG-GASCZTMLSA-N 1 0 354.248 2.789 20 5 FFBDRO COc1cc(C[NH2+]C[C@@H]2CCC23CCOCC3)c([N+](=O)[O-])cc1OC ZINC000865777821 730996448 /nfs/dbraw/zinc/99/64/48/730996448.db2.gz CMWULVDHMWTFTE-AWEZNQCLSA-N 1 0 350.415 2.908 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])c(N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)cc1Cl ZINC000866205018 731040465 /nfs/dbraw/zinc/04/04/65/731040465.db2.gz IUDIKVAHRIGUDD-GWCFXTLKSA-N 1 0 353.806 2.565 20 5 FFBDRO COc1cc(N(C)CC[NH+]2CC3(C2)CCOCC3)c(Cl)cc1[N+](=O)[O-] ZINC000866258707 731044475 /nfs/dbraw/zinc/04/44/75/731044475.db2.gz YSUODCFOYZUIJU-UHFFFAOYSA-N 1 0 369.849 2.805 20 5 FFBDRO CCc1nn(C)c(OC)c1C[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866288736 731046534 /nfs/dbraw/zinc/04/65/34/731046534.db2.gz LVVGGMTXGQLHMH-LLVKDONJSA-N 1 0 350.394 2.759 20 5 FFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1ccc(S(C)(=O)=O)s1 ZINC000866345636 731050809 /nfs/dbraw/zinc/05/08/09/731050809.db2.gz ALIAFWHNXRSSMC-JTQLQIEISA-N 1 0 372.443 2.920 20 5 FFBDRO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000868158330 731265254 /nfs/dbraw/zinc/26/52/54/731265254.db2.gz NWOTYHMXBWRDGK-CHWSQXEVSA-N 1 0 369.219 2.716 20 5 FFBDRO CC(C)[NH+]1CCC(CCNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000870951678 731580203 /nfs/dbraw/zinc/58/02/03/731580203.db2.gz CCPINMBJJATGRH-UHFFFAOYSA-N 1 0 351.422 2.903 20 5 FFBDRO C[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)CCC1(C)C ZINC000871154294 731600534 /nfs/dbraw/zinc/60/05/34/731600534.db2.gz SCAUVECVKAVVER-UHFFFAOYSA-N 1 0 370.247 2.914 20 5 FFBDRO CCNC(=O)N1CC[C@H]([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2SC)C1 ZINC000872047412 731723303 /nfs/dbraw/zinc/72/33/03/731723303.db2.gz BNDKTCBEVRLRPZ-NEPJUHHUSA-N 1 0 352.460 2.771 20 5 FFBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC1(N2CCOCC2)CC1 ZINC000872066860 731726089 /nfs/dbraw/zinc/72/60/89/731726089.db2.gz SDRLMLLGLCENDR-ZDUSSCGKSA-N 1 0 351.472 2.832 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CC2(c3cccc(Cl)c3)CCC2)c1 ZINC000872229681 731742567 /nfs/dbraw/zinc/74/25/67/731742567.db2.gz RLGHOSDSZQHLHH-INIZCTEOSA-N 1 0 364.833 2.517 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C1CCC(CS(C)(=O)=O)CC1 ZINC000873129590 731878789 /nfs/dbraw/zinc/87/87/89/731878789.db2.gz SJHDEEAODHESGJ-UHFFFAOYSA-N 1 0 354.472 2.905 20 5 FFBDRO CC(C)C[N@@H+](Cc1cn(C)nc1[N+](=O)[O-])C[C@@H](O)c1ccc(F)cc1 ZINC000876744944 732275661 /nfs/dbraw/zinc/27/56/61/732275661.db2.gz HVFYMWREBIMJRP-MRXNPFEDSA-N 1 0 350.394 2.659 20 5 FFBDRO C[C@H](COc1ccc(F)cc1F)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000876968764 732304787 /nfs/dbraw/zinc/30/47/87/732304787.db2.gz SYIBJNIGPHPCIB-QFWMXSHPSA-N 1 0 352.341 2.830 20 5 FFBDRO [NH3+]C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC[C@@H]1C(F)(F)F ZINC000877015707 732312245 /nfs/dbraw/zinc/31/22/45/732312245.db2.gz AHYBHSIZMVQTPL-UWVGGRQHSA-N 1 0 365.739 2.848 20 5 FFBDRO O=C(N[C@]12CCC[C@@H]1[NH2+]CC2)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000877392640 732356769 /nfs/dbraw/zinc/35/67/69/732356769.db2.gz HKFNVAUXNAADCQ-FZMZJTMJSA-N 1 0 372.194 2.511 20 5 FFBDRO O=[N+]([O-])c1cc(C[NH2+]CC2CCS(=O)(=O)CC2)cc(C(F)(F)F)c1 ZINC000877483540 732371074 /nfs/dbraw/zinc/37/10/74/732371074.db2.gz NLYZHIWXHCUAME-UHFFFAOYSA-N 1 0 366.361 2.528 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]Cc3cc(F)cnc3Cl)CC2)cn1 ZINC000877556294 732386691 /nfs/dbraw/zinc/38/66/91/732386691.db2.gz OROQLUFFALIUSX-UHFFFAOYSA-N 1 0 365.796 2.936 20 5 FFBDRO O=C1OCC[C@H]1CCC[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000877805275 732437565 /nfs/dbraw/zinc/43/75/65/732437565.db2.gz ASLZMCZQFBHHEO-MRVPVSSYSA-N 1 0 363.233 2.852 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000877831292 732443927 /nfs/dbraw/zinc/44/39/27/732443927.db2.gz RRBTUICLUFRAPR-DDHJSBNISA-N 1 0 362.348 2.700 20 5 FFBDRO CC[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000880467777 732911623 /nfs/dbraw/zinc/91/16/23/732911623.db2.gz JPWFULMDBJUEDV-DGCLKSJQSA-N 1 0 355.822 2.982 20 5 FFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCc2nnn(C)c2C1 ZINC000927150673 738697213 /nfs/dbraw/zinc/69/72/13/738697213.db2.gz NQWBIEVCBADALU-CHWSQXEVSA-N 1 0 361.471 2.741 20 5 FFBDRO O=C(CC[N@@H+]1CC[C@H]([C@@H]2CCCO2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000886822465 733843952 /nfs/dbraw/zinc/84/39/52/733843952.db2.gz QRUJSEVMMKLXPF-LRDDRELGSA-N 1 0 351.378 2.563 20 5 FFBDRO O=C(C[N@@H+]1CC[C@@H]([C@H]2CCCO2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000886829648 733846190 /nfs/dbraw/zinc/84/61/90/733846190.db2.gz DTAHCHCJZBRYFN-IAQYHMDHSA-N 1 0 353.806 2.688 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2nc(-c3cn(C[C@@H]4CCC[NH2+]4)nn3)cs2)c1 ZINC000887407604 733924747 /nfs/dbraw/zinc/92/47/47/733924747.db2.gz KBRUPWLIJVTGFV-LBPRGKRZSA-N 1 0 356.411 2.729 20 5 FFBDRO CCOc1cc(NC(=O)N2CC[N@H+](C)C(C)(C)CC2)ccc1[N+](=O)[O-] ZINC000888830306 734103113 /nfs/dbraw/zinc/10/31/13/734103113.db2.gz SNQYYFXSCAFLEF-UHFFFAOYSA-N 1 0 350.419 2.942 20 5 FFBDRO CN(Cc1ccc(Br)c([N+](=O)[O-])c1)[C@H](C[NH3+])C(F)(F)F ZINC000700506094 734354443 /nfs/dbraw/zinc/35/44/43/734354443.db2.gz XWXBOTSQHGMQMX-SNVBAGLBSA-N 1 0 356.142 2.679 20 5 FFBDRO O=[N+]([O-])c1ccc(CN2CCC[N@H+](C[C@@H]3CCCO3)CC2)cc1Cl ZINC000783526978 738811762 /nfs/dbraw/zinc/81/17/62/738811762.db2.gz JRSODMUOHXONOB-HNNXBMFYSA-N 1 0 353.850 2.935 20 5 FFBDRO C[C@]1(Br)C[C@@H]1C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000892078501 734512619 /nfs/dbraw/zinc/51/26/19/734512619.db2.gz NNZPRCFSJWHBIQ-SUNKGSAMSA-N 1 0 355.236 2.650 20 5 FFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CO)C[C@H](O)c2ccccc2)cc1Cl ZINC000783648849 738822725 /nfs/dbraw/zinc/82/27/25/738822725.db2.gz ASENCVDMCOCVQU-PBHICJAKSA-N 1 0 350.802 2.822 20 5 FFBDRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000893601813 734725159 /nfs/dbraw/zinc/72/51/59/734725159.db2.gz JLIOJJYXIARYQW-CABCVRRESA-N 1 0 352.822 2.626 20 5 FFBDRO COc1ccc(CSCC(=O)N[C@@H](C[NH+](C)C)C(C)C)cc1[N+](=O)[O-] ZINC000733167663 734794759 /nfs/dbraw/zinc/79/47/59/734794759.db2.gz YFRXAROQIONUGT-AWEZNQCLSA-N 1 0 369.487 2.539 20 5 FFBDRO CC(C)[C@@H](C[NH+](C)C)NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000735053584 734926707 /nfs/dbraw/zinc/92/67/07/734926707.db2.gz ITWREGRBUTZBTB-CYBMUJFWSA-N 1 0 357.838 2.720 20 5 FFBDRO C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000895610440 735031970 /nfs/dbraw/zinc/03/19/70/735031970.db2.gz BRZJSVRELDLNDB-ZWNOBZJWSA-N 1 0 370.247 2.894 20 5 FFBDRO O=[N+]([O-])c1cnc(NC[C@H]2CC[N@@H+]2C2CCOCC2)c(C(F)(F)F)c1 ZINC000896521036 735172414 /nfs/dbraw/zinc/17/24/14/735172414.db2.gz CAKQQGUZQWCOQE-LLVKDONJSA-N 1 0 360.336 2.674 20 5 FFBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CC[N@@H+]2C2CCOCC2)cc1OC(F)F ZINC000896520513 735172483 /nfs/dbraw/zinc/17/24/83/735172483.db2.gz DADGEHSMCNFLGV-ZDUSSCGKSA-N 1 0 357.357 2.861 20 5 FFBDRO CCn1cnc2c1CCN(c1ncc(Br)cc1[N+](=O)[O-])C2 ZINC000896655129 735178350 /nfs/dbraw/zinc/17/83/50/735178350.db2.gz STQHBRPTGTXDIL-UHFFFAOYSA-N 1 0 352.192 2.531 20 5 FFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1cnc2n1CCOC2 ZINC000903420103 736090045 /nfs/dbraw/zinc/09/00/45/736090045.db2.gz LTLIVWDZKRZXPP-CYBMUJFWSA-N 1 0 362.455 2.982 20 5 FFBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)s1 ZINC000754655146 736183859 /nfs/dbraw/zinc/18/38/59/736183859.db2.gz FMONMVWLKOACGO-JTQLQIEISA-N 1 0 363.395 2.983 20 5 FFBDRO O=[N+]([O-])c1cc(Br)ccc1C[NH2+]C[C@@H](O)CCC1(O)CCC1 ZINC000905427840 736339553 /nfs/dbraw/zinc/33/95/53/736339553.db2.gz OFFLAPQHANGHEC-ZDUSSCGKSA-N 1 0 373.247 2.503 20 5 FFBDRO CC1(C)CC[C@@H](CC[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)OC1 ZINC000905645293 736375237 /nfs/dbraw/zinc/37/52/37/736375237.db2.gz VTXXPLBSMNOOCN-HNNXBMFYSA-N 1 0 370.471 2.553 20 5 FFBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000756952065 736376313 /nfs/dbraw/zinc/37/63/13/736376313.db2.gz QQMGZFGIVCKBIG-GFCCVEGCSA-N 1 0 354.838 2.922 20 5 FFBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000757258928 736399281 /nfs/dbraw/zinc/39/92/81/736399281.db2.gz ADRCZZWUXTVJPJ-CQSZACIVSA-N 1 0 352.822 2.628 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]Cc2ccc(O)c(Cl)c2)cc1 ZINC000757955771 736439576 /nfs/dbraw/zinc/43/95/76/736439576.db2.gz FEBVHDYBEZWIHQ-UHFFFAOYSA-N 1 0 370.814 2.517 20 5 FFBDRO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000906524156 736514040 /nfs/dbraw/zinc/51/40/40/736514040.db2.gz ULMDGVASQYUTOS-HNNXBMFYSA-N 1 0 351.834 2.878 20 5 FFBDRO C[NH+](C)[C@]1(CNC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)CCSC1 ZINC000906902499 736557765 /nfs/dbraw/zinc/55/77/65/736557765.db2.gz RSHFIIWDMZZBQJ-INIZCTEOSA-N 1 0 371.890 2.734 20 5 FFBDRO O=C(NCc1cnc2n1CCCC2)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000908083881 736714677 /nfs/dbraw/zinc/71/46/77/736714677.db2.gz ANFDUFYCDAAMER-UHFFFAOYSA-N 1 0 352.753 2.850 20 5 FFBDRO COc1cc(CON=C(N)C[NH+]2CCCCCC2)c([N+](=O)[O-])cc1F ZINC000766068402 737189989 /nfs/dbraw/zinc/18/99/89/737189989.db2.gz HJECLSAUHXSFJE-UHFFFAOYSA-N 1 0 354.382 2.617 20 5 FFBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])ccc2Br)C[C@@H]1C ZINC000766557951 737241938 /nfs/dbraw/zinc/24/19/38/737241938.db2.gz WYPLRSMUTRQNOJ-WDEREUQCSA-N 1 0 370.247 2.912 20 5 FFBDRO C[N@@H+]1CCCC[C@@H]1CCOC(=O)c1cc(Br)ncc1[N+](=O)[O-] ZINC000769838140 737572441 /nfs/dbraw/zinc/57/24/41/737572441.db2.gz GSOKFJOBBLGXME-SNVBAGLBSA-N 1 0 372.219 2.784 20 5 FFBDRO CCCC[NH+]1CCC(NC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CC1 ZINC000771508438 737731594 /nfs/dbraw/zinc/73/15/94/737731594.db2.gz GSSLBYNKPMCSEY-UHFFFAOYSA-N 1 0 363.443 2.594 20 5 FFBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 ZINC000774639560 738008152 /nfs/dbraw/zinc/00/81/52/738008152.db2.gz LVKWPAHTVXCFTA-LRDDRELGSA-N 1 0 363.849 2.972 20 5 FFBDRO C[N@@H+]1CCC[C@H]2CN(Cn3ncc4cc([N+](=O)[O-])cc(Cl)c43)CC[C@@H]21 ZINC000774640379 738008863 /nfs/dbraw/zinc/00/88/63/738008863.db2.gz RXUYTFNSPRDOGN-LRDDRELGSA-N 1 0 363.849 2.972 20 5 FFBDRO COCC[C@]1([NH2+]Cc2ccc(Br)c([N+](=O)[O-])c2)CCOC1 ZINC000775034995 738055581 /nfs/dbraw/zinc/05/55/81/738055581.db2.gz WFPZUBBSGJEUDB-AWEZNQCLSA-N 1 0 359.220 2.643 20 5 FFBDRO C[N@H+](CCCO)C1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000775323176 738084618 /nfs/dbraw/zinc/08/46/18/738084618.db2.gz OKLHNLNXENEXPU-UHFFFAOYSA-N 1 0 370.837 2.559 20 5 FFBDRO CC1([NH+]2CCC2)CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000922175256 738101184 /nfs/dbraw/zinc/10/11/84/738101184.db2.gz OBAYVSIJIBCTGZ-UHFFFAOYSA-N 1 0 351.834 2.878 20 5 FFBDRO CS(=O)(=O)C1CCC(C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000922419865 738142218 /nfs/dbraw/zinc/14/22/18/738142218.db2.gz RVGPCRQDMNPHHJ-UHFFFAOYSA-N 1 0 360.863 2.941 20 5 FFBDRO Cn1cc(Br)cc1C[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776587570 738211778 /nfs/dbraw/zinc/21/17/78/738211778.db2.gz WRYKHQBXYXCDAN-HNNXBMFYSA-N 1 0 368.231 2.861 20 5 FFBDRO CCOC(=O)CCC1CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776590919 738212287 /nfs/dbraw/zinc/21/22/87/738212287.db2.gz MGBVBXSPOXUUFG-KRWDZBQOSA-N 1 0 350.415 2.684 20 5 FFBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778247736 738366515 /nfs/dbraw/zinc/36/65/15/738366515.db2.gz OCHOVOWCBJAOKI-STQMWFEESA-N 1 0 355.385 2.923 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000930318033 739086402 /nfs/dbraw/zinc/08/64/02/739086402.db2.gz ZPSUHYLPKYMRNA-HIFRSBDPSA-N 1 0 364.471 2.913 20 5 FFBDRO C[C@H](CO)[N@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CCCC1 ZINC000788466196 739247608 /nfs/dbraw/zinc/24/76/08/739247608.db2.gz GRPIKIHOEXFZBD-LLVKDONJSA-N 1 0 355.822 2.812 20 5 FFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC(C)([NH+](C)C)CC1 ZINC000931352633 739249758 /nfs/dbraw/zinc/24/97/58/739249758.db2.gz DOSHDKIILVTSCM-GFCCVEGCSA-N 1 0 368.865 2.991 20 5 FFBDRO O=[N+]([O-])c1ccc(Br)c(C[N@@H+]2CC[C@H](C3OCCO3)C2)c1 ZINC000931999663 739369570 /nfs/dbraw/zinc/36/95/70/739369570.db2.gz YOFZAIRPRPFIGU-JTQLQIEISA-N 1 0 357.204 2.552 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N(C)CC1([NH+](C)C)CCC1 ZINC000790274986 739431939 /nfs/dbraw/zinc/43/19/39/739431939.db2.gz HGOPLEDDZSWHNH-UHFFFAOYSA-N 1 0 355.822 2.955 20 5 FFBDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000790721493 739488125 /nfs/dbraw/zinc/48/81/25/739488125.db2.gz VAJIAGUZSLVSCY-NSHDSACASA-N 1 0 357.813 2.730 20 5 FFBDRO Cc1csc(C[C@H]2CCN(CC(=O)Nc3ccccc3[N+](=O)[O-])C2)n1 ZINC000933132320 739574051 /nfs/dbraw/zinc/57/40/51/739574051.db2.gz COUIOROJBNPKPF-CYBMUJFWSA-N 1 0 360.439 2.863 20 5 FFBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1cc(Cl)cc2c1OCC2 ZINC000933271298 739592802 /nfs/dbraw/zinc/59/28/02/739592802.db2.gz JZUSZIAAVHNYBR-NSHDSACASA-N 1 0 363.801 2.696 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)C[C@@H]1C ZINC000933371284 739611527 /nfs/dbraw/zinc/61/15/27/739611527.db2.gz SKBDCAAALVHGIP-VHSXEESVSA-N 1 0 372.828 2.914 20 5 FFBDRO CCOC(=O)C1([C@H](C)[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])CCOCC1 ZINC000933882600 739701088 /nfs/dbraw/zinc/70/10/88/739701088.db2.gz SOBKPCWGLFQLRY-KBPBESRZSA-N 1 0 350.415 2.994 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H]2CSC[C@]2(C)C1 ZINC000934777897 739839674 /nfs/dbraw/zinc/83/96/74/739839674.db2.gz XLAJVHVAFHYGIE-PXAZEXFGSA-N 1 0 365.455 2.617 20 5 FFBDRO CSC1(CNC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC[NH+](C)CC1 ZINC000936042679 740049977 /nfs/dbraw/zinc/04/99/77/740049977.db2.gz QZKYGFOQFUNHQX-JKSUJKDBSA-N 1 0 363.483 2.642 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000800399568 740519237 /nfs/dbraw/zinc/51/92/37/740519237.db2.gz QFCHWWINZMEYGM-HOTGVXAUSA-N 1 0 362.813 2.745 20 5 FFBDRO C[NH+](C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N)C1CCCCC1 ZINC000801817619 740654188 /nfs/dbraw/zinc/65/41/88/740654188.db2.gz LVTQXQJYPIWQOP-INIZCTEOSA-N 1 0 352.410 2.556 20 5 FFBDRO C[N@@H+]1CCC[C@]2(CCN(CC(=O)Nc3cc(Cl)ccc3[N+](=O)[O-])C2)C1 ZINC000815145703 741906911 /nfs/dbraw/zinc/90/69/11/741906911.db2.gz CDIIHXXUYJFURU-KRWDZBQOSA-N 1 0 366.849 2.604 20 5 FFBDRO C[C@H]([NH2+]CCNC(=O)c1ccc(Cl)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815569058 741945740 /nfs/dbraw/zinc/94/57/40/741945740.db2.gz FHXAJUYWDGVOSJ-NSHDSACASA-N 1 0 362.817 2.911 20 5 FFBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H](C2CC2)C2(CO)CCOCC2)ccc1Cl ZINC000816657038 742051618 /nfs/dbraw/zinc/05/16/18/742051618.db2.gz IUGOLPITKRPJOL-INIZCTEOSA-N 1 0 354.834 2.906 20 5 FFBDRO [NH3+]C[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)C1CCCC1 ZINC000818001973 742228363 /nfs/dbraw/zinc/22/83/63/742228363.db2.gz RRLWKCADTUMWRA-LLVKDONJSA-N 1 0 374.210 2.744 20 5 FFBDRO C[C@]1(CC[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1(Cl)Cl ZINC000819347518 742379291 /nfs/dbraw/zinc/37/92/91/742379291.db2.gz CTNAMSYTBOTXQM-JSGCOSHPSA-N 1 0 363.241 2.898 20 5 FFBDRO CC(C)(C)OC(=O)C(C)(C)CC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819383121 742384184 /nfs/dbraw/zinc/38/41/84/742384184.db2.gz IBRZENGMDWBMFG-HNNXBMFYSA-N 1 0 352.431 2.976 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)CCc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000824651145 743122064 /nfs/dbraw/zinc/12/20/64/743122064.db2.gz BMOYRPJPUCFHHN-ZDUSSCGKSA-N 1 0 351.422 2.903 20 5 FFBDRO CC[C@H](C[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)NC(=O)OC(C)(C)C ZINC000824661359 743123973 /nfs/dbraw/zinc/12/39/73/743123973.db2.gz WZNJHJKCCBIPCK-CYBMUJFWSA-N 1 0 353.419 2.996 20 5 FFBDRO CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)C[C@@H]1[NH+](C)C ZINC000827425993 743573659 /nfs/dbraw/zinc/57/36/59/743573659.db2.gz NYDFWCMZEISIDA-KBPBESRZSA-N 1 0 357.863 2.674 20 5 FFBDRO C[NH+]1C[C@@]2(C)CN(C(=O)CCc3c(Cl)cccc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000827598507 743609082 /nfs/dbraw/zinc/60/90/82/743609082.db2.gz ROKHRKYCYGJBMS-ROUUACIJSA-N 1 0 365.861 2.981 20 5 FFBDRO C[N@@H+]1CC[C@H]2CN(C(=O)CCc3c(Cl)cccc3[N+](=O)[O-])CC[C@@H]21 ZINC000828509656 745077772 /nfs/dbraw/zinc/07/77/72/745077772.db2.gz FMOATODEBMSSTM-WFASDCNBSA-N 1 0 351.834 2.733 20 5 FFBDRO CC(C)OCCOC1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000832494346 745708020 /nfs/dbraw/zinc/70/80/20/745708020.db2.gz LHPLOICDIXERKN-GOSISDBHSA-N 1 0 352.431 2.534 20 5 FFBDRO CON1CCC([N@H+](C)Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000835075768 745945761 /nfs/dbraw/zinc/94/57/61/745945761.db2.gz AJRYGUMBJBSPDI-UHFFFAOYSA-N 1 0 358.236 2.815 20 5 FFBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000837188420 746388881 /nfs/dbraw/zinc/38/88/81/746388881.db2.gz FEVOIVXNFRUUOD-LBPRGKRZSA-N 1 0 357.813 2.871 20 5 FFBDRO CC[NH+](CC)CCCOC(=O)c1cc(F)c([N+](=O)[O-])cc1NC(C)=O ZINC000838095608 746573434 /nfs/dbraw/zinc/57/34/34/746573434.db2.gz NEYJLQIEDLTVHC-UHFFFAOYSA-N 1 0 355.366 2.581 20 5 FFBDRO CC(C)(C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1COCC12OCCO2 ZINC000839173154 746793159 /nfs/dbraw/zinc/79/31/59/746793159.db2.gz MGPWEGFBEXIINU-HNNXBMFYSA-N 1 0 370.833 2.754 20 5 FFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839504437 746842362 /nfs/dbraw/zinc/84/23/62/746842362.db2.gz ZKTXPLXKIMKWIR-KGLIPLIRSA-N 1 0 366.849 2.745 20 5 FFBDRO C[C@@H](CO)[N@@H+](CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])CC1CCC1 ZINC000839590497 746865068 /nfs/dbraw/zinc/86/50/68/746865068.db2.gz WJMJRJMXJSBBTO-NSHDSACASA-N 1 0 355.822 2.670 20 5 FFBDRO C[C@H](CO)[N@@H+](CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])CC1CCC1 ZINC000839590495 746865227 /nfs/dbraw/zinc/86/52/27/746865227.db2.gz WJMJRJMXJSBBTO-LLVKDONJSA-N 1 0 355.822 2.670 20 5 FFBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839603763 746868902 /nfs/dbraw/zinc/86/89/02/746868902.db2.gz VYTPQOADTKBTPD-IUODEOHRSA-N 1 0 366.849 2.745 20 5 FFBDRO CC(C)[N@@H+]1CC[C@@H](N(C)Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 ZINC000840155429 747021758 /nfs/dbraw/zinc/02/17/58/747021758.db2.gz XWMMCLNUZJYJFN-CYBMUJFWSA-N 1 0 351.838 2.970 20 5 FFBDRO C[NH+](C)CC(C)(C)Nc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000840320961 747064163 /nfs/dbraw/zinc/06/41/63/747064163.db2.gz UXYAFWUINNNTTG-UHFFFAOYSA-N 1 0 369.365 2.640 20 5 FFBDRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000841099377 747268989 /nfs/dbraw/zinc/26/89/89/747268989.db2.gz JHIPKGBXPBIXEM-DOTOQJQBSA-N 1 0 353.850 2.967 20 5 FFBDRO C[C@@]1(C[NH3+])CCN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000841160278 747283936 /nfs/dbraw/zinc/28/39/36/747283936.db2.gz BMWPBBNMYDROEI-ZDUSSCGKSA-N 1 0 357.208 2.560 20 5 FFBDRO CN(C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)[C@H](C[NH3+])C1CC1 ZINC000841161545 747284485 /nfs/dbraw/zinc/28/44/85/747284485.db2.gz NCFHACPAXQGMHS-GFCCVEGCSA-N 1 0 357.208 2.558 20 5 FFBDRO O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000841162340 747284994 /nfs/dbraw/zinc/28/49/94/747284994.db2.gz USYDDRBDGUPYCH-AWEZNQCLSA-N 1 0 369.219 2.575 20 5 FFBDRO COCC(C)(C)CC(=O)O[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000842367048 747580690 /nfs/dbraw/zinc/58/06/90/747580690.db2.gz SAPWUTOTKZOSLA-INIZCTEOSA-N 1 0 350.415 2.775 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)ccc1OCCc1nc(C2CC[NH2+]CC2)no1 ZINC000843139515 747780283 /nfs/dbraw/zinc/78/02/83/747780283.db2.gz YAPIZIAYRSYLNH-UHFFFAOYSA-N 1 0 352.778 2.720 20 5 FFBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CCC2(CC[NH2+]C2)CC1 ZINC000843481807 747843611 /nfs/dbraw/zinc/84/36/11/747843611.db2.gz RBSBDFOPLUDJKR-UHFFFAOYSA-N 1 0 355.797 2.532 20 5 FFBDRO CCCN(C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])[C@@H]1CC[N@H+](C)C1 ZINC000843990976 747946554 /nfs/dbraw/zinc/94/65/54/747946554.db2.gz ZQFCNMZEDJQDRS-GFCCVEGCSA-N 1 0 357.813 2.873 20 5 FFBDRO O=[N+]([O-])c1ccc(Cl)c(CN2CCC(CO)([NH2+]CC3CC3)CC2)c1 ZINC000844336477 748008006 /nfs/dbraw/zinc/00/80/06/748008006.db2.gz VPCFWKAXMJPGBV-UHFFFAOYSA-N 1 0 353.850 2.575 20 5 FFBDRO C[C@@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C2(CCC2)CO1 ZINC000844422645 748026614 /nfs/dbraw/zinc/02/66/14/748026614.db2.gz RDEZEZRLHUCFKU-GFCCVEGCSA-N 1 0 351.378 2.706 20 5 FFBDRO Cc1c(C(=O)NCCC[N@@H+](C)CC(C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000844655539 748066543 /nfs/dbraw/zinc/06/65/43/748066543.db2.gz KVEBOTXYGVROPK-UHFFFAOYSA-N 1 0 352.391 2.519 20 5 FFBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000846225990 748433927 /nfs/dbraw/zinc/43/39/27/748433927.db2.gz SUYVSZLUJHBRLH-PEBVRCNWSA-N 1 0 366.849 2.636 20 5 FFBDRO C[C@H]1COCC[N@@H+]1C1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000846914173 748573854 /nfs/dbraw/zinc/57/38/54/748573854.db2.gz YEMRTFNXXMCTQH-ZDUSSCGKSA-N 1 0 353.850 2.933 20 5 FFBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)OCC[C@H]1CC[N@H+](C)C1 ZINC000847823268 748790094 /nfs/dbraw/zinc/79/00/94/748790094.db2.gz KIAPLDUGCLXZBK-CYBMUJFWSA-N 1 0 368.455 2.832 20 5 FFBDRO COCC[NH+]1CCC(OC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)CC1 ZINC000847881241 748802770 /nfs/dbraw/zinc/80/27/70/748802770.db2.gz IAMUEDHOHGQDEP-CYBMUJFWSA-N 1 0 368.455 2.729 20 5 FFBDRO CC[C@H](CSC)[N@H+](C)CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848483499 748938044 /nfs/dbraw/zinc/93/80/44/748938044.db2.gz IIOYSEWZTACRQG-GDBMZVCRSA-N 1 0 351.472 2.942 20 5 FFBDRO CCOP(=O)(OCC)[C@@H](O)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000851869765 749712205 /nfs/dbraw/zinc/71/22/05/749712205.db2.gz QEJDXQPHHXPMQZ-OAHLLOKOSA-N 1 0 358.331 2.537 20 5 FFBDRO CC(C)(C)OC(=O)C1(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000853127522 750013261 /nfs/dbraw/zinc/01/32/61/750013261.db2.gz XCPDUWQRQXQPRS-HNNXBMFYSA-N 1 0 350.415 2.730 20 5 FFBDRO O=[N+]([O-])c1ccc2nc(N3CCC([N@@H+]4CCCOCC4)CC3)sc2c1 ZINC000853688543 750136785 /nfs/dbraw/zinc/13/67/85/750136785.db2.gz QBUAXPZBAALUMZ-UHFFFAOYSA-N 1 0 362.455 2.896 20 5 FFBDRO Cc1c(CO)cc([N+](=O)[O-])c(NC[C@@H]2CC[N@@H+]2C(C)(C)C)c1[N+](=O)[O-] ZINC000853747441 750151567 /nfs/dbraw/zinc/15/15/67/750151567.db2.gz RANMOSXGJPQIBS-LBPRGKRZSA-N 1 0 352.391 2.588 20 5 FFBDRO O=C1CN(C[N@@H+]2CC[C@@H]3CCCC[C@@H]3C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC001116021084 1032068154 /nfs/dbraw/zinc/06/81/54/1032068154.db2.gz DVHQUJRJOCXELA-LSDHHAIUSA-N 1 0 372.425 2.833 20 5 FFBDRO C[C@H]1C[C@H](NC(=O)COc2ccccc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000134885650 960091719 /nfs/dbraw/zinc/09/17/19/960091719.db2.gz WMJVYVJVXGRZTG-RDJZCZTQSA-N 1 0 369.421 2.753 20 5 FFBDRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000683548136 960954839 /nfs/dbraw/zinc/95/48/39/960954839.db2.gz QGXFGXVOVWNSLE-HNNXBMFYSA-N 1 0 361.445 2.895 20 5 FFBDRO CC1([NH+]2CCCC2)CCN(Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000872645103 1013243301 /nfs/dbraw/zinc/24/33/01/1013243301.db2.gz NLNZLTHOHCZOET-UHFFFAOYSA-N 1 0 370.457 2.761 20 5 FFBDRO CC[N@H+](Cc1ccc(C(=O)OCCn2cc([N+](=O)[O-])cn2)cc1)C(C)C ZINC000748122222 961658104 /nfs/dbraw/zinc/65/81/04/961658104.db2.gz WYLWFBOFPVRYQD-UHFFFAOYSA-N 1 0 360.414 2.879 20 5 FFBDRO C[C@@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccc2[nH]c(=O)oc2c1 ZINC001175016179 1013363041 /nfs/dbraw/zinc/36/30/41/1013363041.db2.gz NRIKJSPMEQMVSR-LLVKDONJSA-N 1 0 370.365 2.755 20 5 FFBDRO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000050901257 963626232 /nfs/dbraw/zinc/62/62/32/963626232.db2.gz KIGRZDVNIPSQNU-LSDHHAIUSA-N 1 0 373.457 2.919 20 5 FFBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH2+]C1([C@@H]2CCCCO2)CC1 ZINC000933376064 964267679 /nfs/dbraw/zinc/26/76/79/964267679.db2.gz VYVXTCZEEKKMLT-INIZCTEOSA-N 1 0 361.398 2.584 20 5 FFBDRO Cn1c2ccccc2c(NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)c([N+](=O)[O-])c1=O ZINC000894476031 965403253 /nfs/dbraw/zinc/40/32/53/965403253.db2.gz MEZMGCIJHJOBJK-ZDUSSCGKSA-N 1 0 358.442 2.979 20 5 FFBDRO C[C@@H]1C[C@H](C)CN1C(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000934041989 965541880 /nfs/dbraw/zinc/54/18/80/965541880.db2.gz MUCNNJUBRZIJSY-UONOGXRCSA-N 1 0 361.446 2.609 20 5 FFBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)N3CCC34CCCC4)c2)CC1 ZINC000934038967 965546905 /nfs/dbraw/zinc/54/69/05/965546905.db2.gz UTVDWEUERVVKCB-UHFFFAOYSA-N 1 0 373.457 2.897 20 5 FFBDRO CC(=O)Nc1ccc(-n2cc(CC[NH3+])c3cc(O)ccc32)cc1[N+](=O)[O-] ZINC001167985973 965877112 /nfs/dbraw/zinc/87/71/12/965877112.db2.gz OJVFEDZXHNIETQ-UHFFFAOYSA-N 1 0 354.366 2.704 20 5 FFBDRO COc1c(O)ccc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000892235106 966349340 /nfs/dbraw/zinc/34/93/40/966349340.db2.gz KURCJILEVCUBLG-CJNGLKHVSA-N 1 0 361.442 2.758 20 5 FFBDRO CCc1ccccc1C[NH+]1CCC(C)(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001270879902 967474307 /nfs/dbraw/zinc/47/43/07/967474307.db2.gz STDAWRMEYQXSAK-QZTJIDSGSA-N 1 0 359.470 2.633 20 5 FFBDRO Cc1nc(NC(=O)/C=C/c2ccc(OCC[NH+](C)C)cc2)ccc1[N+](=O)[O-] ZINC000785177510 968090147 /nfs/dbraw/zinc/09/01/47/968090147.db2.gz MSCADSJRFQUKPQ-IZZDOVSWSA-N 1 0 370.409 2.891 20 5 FFBDRO COCC[N@H+](CCC(=O)OC(C)(C)C)CCc1ccc([N+](=O)[O-])cc1 ZINC001176833593 1013784115 /nfs/dbraw/zinc/78/41/15/1013784115.db2.gz YJBQVGBCBULURJ-UHFFFAOYSA-N 1 0 352.431 2.818 20 5 FFBDRO COc1c(O)ccc(C[NH2+]C[C@@H](Cc2ccccc2)N(C)C)c1[N+](=O)[O-] ZINC000892451170 968845371 /nfs/dbraw/zinc/84/53/71/968845371.db2.gz PQQSEWHZDCFIAD-MRXNPFEDSA-N 1 0 359.426 2.572 20 5 FFBDRO Cc1ccc(CNC(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)cc1[N+](=O)[O-] ZINC000892536919 969402837 /nfs/dbraw/zinc/40/28/37/969402837.db2.gz MFKDZWBSFOVGPN-KRWDZBQOSA-N 1 0 360.458 2.824 20 5 FFBDRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000874846336 1013916079 /nfs/dbraw/zinc/91/60/79/1013916079.db2.gz IRBPBBSGYZUSKX-QZTJIDSGSA-N 1 0 358.442 2.504 20 5 FFBDRO C[C@@H]1C[NH2+]CC[C@@H]1Oc1ccc([N+](=O)[O-])cc1I ZINC001218421541 970102225 /nfs/dbraw/zinc/10/22/25/970102225.db2.gz XUVMGFHFVBFVJR-KCJUWKMLSA-N 1 0 362.167 2.576 20 5 FFBDRO COCc1ncc2c(n1)CC[N@@H+](C/C(C)=C\c1cccc([N+](=O)[O-])c1)C2 ZINC000895414268 970596804 /nfs/dbraw/zinc/59/68/04/970596804.db2.gz CCAKGYAOWWKKDW-ZSOIEALJSA-N 1 0 354.410 2.993 20 5 FFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1 ZINC000875745071 1014070596 /nfs/dbraw/zinc/07/05/96/1014070596.db2.gz HRXTUZHZPANRSR-IRXDYDNUSA-N 1 0 371.441 2.565 20 5 FFBDRO Cc1c([N+](=O)[O-])cc(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000063756321 973193706 /nfs/dbraw/zinc/19/37/06/973193706.db2.gz XHWFCKSHZXPAKH-NWDGAFQWSA-N 1 0 364.402 2.662 20 5 FFBDRO CCOC(=O)Cc1ccc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c([N+](=O)[O-])c1 ZINC000825842158 1014110628 /nfs/dbraw/zinc/11/06/28/1014110628.db2.gz ZJDYMPHCSFILGF-HZPDHXFCSA-N 1 0 361.442 2.621 20 5 FFBDRO Cc1cc(C(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)c(N)c([N+](=O)[O-])c1 ZINC000738517694 974070973 /nfs/dbraw/zinc/07/09/73/974070973.db2.gz MQOXVJBVWUUJOT-UHFFFAOYSA-N 1 0 356.426 2.819 20 5 FFBDRO Cc1cc(C[NH+](C)C)ccc1NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000909600440 974166305 /nfs/dbraw/zinc/16/63/05/974166305.db2.gz FMEUJBMMZYHHSM-UHFFFAOYSA-N 1 0 357.366 2.946 20 5 FFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[N@H+](Cc2ccc(C3CCC3)cc2)CC1 ZINC000981137548 976263445 /nfs/dbraw/zinc/26/34/45/976263445.db2.gz WHBXWRZPZKFLBF-RTBURBONSA-N 1 0 357.454 2.654 20 5 FFBDRO COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C1 ZINC000898481969 976490931 /nfs/dbraw/zinc/49/09/31/976490931.db2.gz XYKDAKZFKUOJME-XUWXXGDYSA-N 1 0 372.425 2.739 20 5 FFBDRO COCCCNC(=O)C1CC[NH+](Cc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000876630122 1014331888 /nfs/dbraw/zinc/33/18/88/1014331888.db2.gz RKYOJNAIOCGSAI-UHFFFAOYSA-N 1 0 363.458 2.576 20 5 FFBDRO Cc1ccc(CCC[N@@H+]2CCCC3(CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)C2)cc1 ZINC000981765148 976763667 /nfs/dbraw/zinc/76/36/67/976763667.db2.gz RETCEJVZTSPDET-RTBURBONSA-N 1 0 371.481 2.517 20 5 FFBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1c1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC000893859633 977569950 /nfs/dbraw/zinc/56/99/50/977569950.db2.gz MGXWVJUDJFINEY-DZGCQCFKSA-N 1 0 356.426 2.510 20 5 FFBDRO Cc1c(C(=O)NCC[NH+]2CCC(C)CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000126236128 1014415253 /nfs/dbraw/zinc/41/52/53/1014415253.db2.gz YRGPZMQKBVNTBT-UHFFFAOYSA-N 1 0 364.402 2.582 20 5 FFBDRO [NH3+]C[C@H]1CN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C[C@H]1C(F)(F)F ZINC000877354337 1014560129 /nfs/dbraw/zinc/56/01/29/1014560129.db2.gz FJCHGMLMVYVFFY-SMDDNHRTSA-N 1 0 371.359 2.612 20 5 FFBDRO CC/C=C/CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001105423347 979414712 /nfs/dbraw/zinc/41/47/12/979414712.db2.gz OYGBXXMYLCHMKS-NRDRPROZSA-N 1 0 371.481 2.814 20 5 FFBDRO COc1ccc(CC(=O)N[C@H]2CCCCC23CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000877405941 1014577269 /nfs/dbraw/zinc/57/72/69/1014577269.db2.gz NZNVVGOWHLPVQH-KRWDZBQOSA-N 1 0 361.442 2.575 20 5 FFBDRO Cc1cc(C)cc([C@H](O)C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1 ZINC000877503115 1014604875 /nfs/dbraw/zinc/60/48/75/1014604875.db2.gz BIGFDMYVDYEJOW-LJQANCHMSA-N 1 0 370.453 2.899 20 5 FFBDRO Cc1cccc(C)c1C[N@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001029964431 980154314 /nfs/dbraw/zinc/15/43/14/980154314.db2.gz HZFSKGSWCAJXDV-IEBWSBKVSA-N 1 0 359.470 2.639 20 5 FFBDRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000130240725 981361366 /nfs/dbraw/zinc/36/13/66/981361366.db2.gz PUZJVXXWFVGFQZ-HNNXBMFYSA-N 1 0 366.421 2.979 20 5 FFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@](C)(O)c1ccccc1 ZINC000169142830 981658095 /nfs/dbraw/zinc/65/80/95/981658095.db2.gz ADWLLOUTXPJERB-LIRRHRJNSA-N 1 0 357.410 2.809 20 5 FFBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]Cc1cnc2n1CCOC2 ZINC000898267287 982660268 /nfs/dbraw/zinc/66/02/68/982660268.db2.gz FQGWUPJAGGMGAU-RHSMWYFYSA-N 1 0 356.426 2.823 20 5 FFBDRO C[N@@H+]1CCC[C@@H]2CN(Cc3nnc(-c4ccccc4[N+](=O)[O-])o3)CC[C@@H]21 ZINC000878198464 1014910279 /nfs/dbraw/zinc/91/02/79/1014910279.db2.gz WWELDKVQOINJIB-HIFRSBDPSA-N 1 0 357.414 2.561 20 5 FFBDRO CC(C)[C@@H](C[NH+](C)C)NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000911850025 983911470 /nfs/dbraw/zinc/91/14/70/983911470.db2.gz YBEGJUOEHMUPMZ-MRXNPFEDSA-N 1 0 356.426 2.973 20 5 FFBDRO C[NH+](C)C1(C)CCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)CC1 ZINC000913389870 984251630 /nfs/dbraw/zinc/25/16/30/984251630.db2.gz HSTHTBHHSQIQOE-UHFFFAOYSA-N 1 0 357.414 2.541 20 5 FFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCN1CCc2ccccc21 ZINC000765417038 985078914 /nfs/dbraw/zinc/07/89/14/985078914.db2.gz QPNUSNLTGDMHTO-HNNXBMFYSA-N 1 0 368.437 2.964 20 5 FFBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000172355152 985517961 /nfs/dbraw/zinc/51/79/61/985517961.db2.gz BOGJNUKADOLJSJ-OAHLLOKOSA-N 1 0 354.410 2.571 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ncn(CN3CC[C@H](C[NH+]4CCCCC4)C3)n2)cc1 ZINC000172958101 985724580 /nfs/dbraw/zinc/72/45/80/985724580.db2.gz BETLNQCSRMGIGZ-MRXNPFEDSA-N 1 0 370.457 2.619 20 5 FFBDRO C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)C(C)(C)C[NH+](C)C ZINC000173055291 985746184 /nfs/dbraw/zinc/74/61/84/985746184.db2.gz MVAAHDAWDZGDQP-CQSZACIVSA-N 1 0 362.474 2.901 20 5 FFBDRO CN(Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C(C)(C)C[NH+]1CCCC1 ZINC000878719286 1015180794 /nfs/dbraw/zinc/18/07/94/1015180794.db2.gz WQNRXEGSEUVXDU-UHFFFAOYSA-N 1 0 359.430 2.951 20 5 FFBDRO C[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1cccc(N2CCOC2=O)c1 ZINC000765848635 986726842 /nfs/dbraw/zinc/72/68/42/986726842.db2.gz JUACKZKKLHZQNS-SCLBCKFNSA-N 1 0 371.393 2.936 20 5 FFBDRO [NH3+]CCc1nc(-c2ccccc2)nn1-c1ccc2cnccc2c1[N+](=O)[O-] ZINC001168714844 988222350 /nfs/dbraw/zinc/22/23/50/988222350.db2.gz LVNWGHCLCNZSMJ-UHFFFAOYSA-N 1 0 360.377 2.892 20 5 FFBDRO C/C(=C/C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000762612349 988512965 /nfs/dbraw/zinc/51/29/65/988512965.db2.gz KSQLXDAWSVRMPA-UGEDRFTOSA-N 1 0 361.442 2.615 20 5 FFBDRO C[N@@H+]1CCCC[C@H]1CCOC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000915512410 988771579 /nfs/dbraw/zinc/77/15/79/988771579.db2.gz RROYPVFDIJPFPX-HNNXBMFYSA-N 1 0 358.398 2.812 20 5 FFBDRO C[N@@H+](Cc1cnn(-c2ccccc2)c1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000153713643 988900336 /nfs/dbraw/zinc/90/03/36/988900336.db2.gz RCWMSYIEIRUMHP-IBGZPJMESA-N 1 0 352.394 2.946 20 5 FFBDRO C[NH+](C)CCOc1cc(NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)ccn1 ZINC000763258270 989344995 /nfs/dbraw/zinc/34/49/95/989344995.db2.gz UHFOBRZYJOVGMF-YVMONPNESA-N 1 0 356.382 2.582 20 5 FFBDRO C[C@H](NC(=O)N1CCC[C@H](c2nccn2C)C1)c1cccc([N+](=O)[O-])c1 ZINC000444186530 989690732 /nfs/dbraw/zinc/69/07/32/989690732.db2.gz IXUZKCUFQOMDAC-ZFWWWQNUSA-N 1 0 357.414 2.979 20 5 FFBDRO C[C@H](NC(=O)N1CCC[C@@H](c2nccn2C)C1)c1cccc([N+](=O)[O-])c1 ZINC000444186524 989691202 /nfs/dbraw/zinc/69/12/02/989691202.db2.gz IXUZKCUFQOMDAC-DZGCQCFKSA-N 1 0 357.414 2.979 20 5 FFBDRO O=[N+]([O-])c1ccc(NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000702628439 990010442 /nfs/dbraw/zinc/01/04/42/990010442.db2.gz LSRAFPLWVSKGCM-GOSISDBHSA-N 1 0 372.381 2.552 20 5 FFBDRO O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1N1CC[NH+](C2CCCC2)CC1 ZINC000917053954 990104193 /nfs/dbraw/zinc/10/41/93/990104193.db2.gz NWYJXQPBPYECDN-UHFFFAOYSA-N 1 0 358.442 2.552 20 5 FFBDRO Cc1cccc(C[NH2+]Cc2ccc(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cc2)c1 ZINC001034815649 990274569 /nfs/dbraw/zinc/27/45/69/990274569.db2.gz AFSBDWBXKRGLLQ-RTBURBONSA-N 1 0 353.422 2.566 20 5 FFBDRO CC(C)CNC(=O)C1CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000917831243 990286171 /nfs/dbraw/zinc/28/61/71/990286171.db2.gz RJPSZAPVJKPFCR-UHFFFAOYSA-N 1 0 363.458 2.848 20 5 FFBDRO COc1cccc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000195418487 990923849 /nfs/dbraw/zinc/92/38/49/990923849.db2.gz JMXHKDDSRSGITL-MRXNPFEDSA-N 1 0 369.421 2.998 20 5 FFBDRO Cc1cc(C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)c(N)c([N+](=O)[O-])c1 ZINC000068510060 991454954 /nfs/dbraw/zinc/45/49/54/991454954.db2.gz MHJMVEWYCURKPI-MRXNPFEDSA-N 1 0 360.389 2.657 20 5 FFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N(CC[NH2+]Cc1ccccc1F)Cc1ccccc1 ZINC001484399436 991562695 /nfs/dbraw/zinc/56/26/95/991562695.db2.gz JEJBGBLSUGDXCG-IEBWSBKVSA-N 1 0 371.412 2.609 20 5 FFBDRO CC1([NH+]2CCC2)CCN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000880475687 1015844780 /nfs/dbraw/zinc/84/47/80/1015844780.db2.gz HKLNXCVNCTVPMX-UHFFFAOYSA-N 1 0 357.414 2.705 20 5 FFBDRO [NH3+]CCN(Cc1cnn(-c2ccc(F)cc2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000809735249 994584667 /nfs/dbraw/zinc/58/46/67/994584667.db2.gz XOBHENFSWZLRFU-UHFFFAOYSA-N 1 0 355.373 2.885 20 5 FFBDRO COC(=O)[C@H](C)Oc1ccc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)cc1 ZINC000809735009 994585393 /nfs/dbraw/zinc/58/53/93/994585393.db2.gz PYVMWXHQTQFISG-AWEZNQCLSA-N 1 0 373.409 2.500 20 5 FFBDRO CC[NH+]1CCN(c2cc(N(C)C(=O)[C@H]3C[C@@H]3C3CC3)cc([N+](=O)[O-])c2)CC1 ZINC001132059442 994692169 /nfs/dbraw/zinc/69/21/69/994692169.db2.gz VQLPOCDKNJLUTL-MOPGFXCFSA-N 1 0 372.469 2.746 20 5 FFBDRO O=C(O[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000810845663 994951209 /nfs/dbraw/zinc/95/12/09/994951209.db2.gz FQLOMWSYEHRTMH-ZIAGYGMSSA-N 1 0 356.382 2.564 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])ncc1N(CC[NH3+])C12CC3CC(CC(C3)C1)C2 ZINC001170631805 995100764 /nfs/dbraw/zinc/10/07/64/995100764.db2.gz ZAIHLZSFWLQUOR-UHFFFAOYSA-N 1 0 374.441 2.510 20 5 FFBDRO CCOc1cc(NC(=O)N2CCC([NH+]3CC=CC3)CC2)ccc1[N+](=O)[O-] ZINC000888832525 1015959167 /nfs/dbraw/zinc/95/91/67/1015959167.db2.gz HGWZRFAAMRVKFH-UHFFFAOYSA-N 1 0 360.414 2.862 20 5 FFBDRO C[C@H](CCNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1ccccc1 ZINC000826747866 1016058685 /nfs/dbraw/zinc/05/86/85/1016058685.db2.gz YRUXAFBNFUSDOK-BEFAXECRSA-N 1 0 371.437 2.655 20 5 FFBDRO CCc1ccc([C@@H](CNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)[NH+](C)C)cc1 ZINC000823984563 996771820 /nfs/dbraw/zinc/77/18/20/996771820.db2.gz LKDFGDOSQNRXAB-MOPGFXCFSA-N 1 0 371.437 2.610 20 5 FFBDRO CC(C)(C[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1)C(N)=O ZINC000824608146 997010338 /nfs/dbraw/zinc/01/03/38/997010338.db2.gz BITVRKKFIOLLMW-LBPRGKRZSA-N 1 0 364.402 2.617 20 5 FFBDRO CNC(=O)/C=C/C(=O)Nc1cc2oc3cc(=[NH2+])ccc-3nc2c2ccccc12 ZINC001144088907 997988944 /nfs/dbraw/zinc/98/89/44/997988944.db2.gz RNJMJMIPCHGFOY-APMXDVGNSA-N 1 0 372.384 2.806 20 5 FFBDRO Cc1c(C(=O)NCCC[N@@H+](C)CC(C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000844653096 998047690 /nfs/dbraw/zinc/04/76/90/998047690.db2.gz DTYRMTOXYJRQQE-UHFFFAOYSA-N 1 0 366.418 2.828 20 5 FFBDRO Cc1c(C(=O)N2[C@H](C)C[N@H+](C)[C@H](C)[C@@H]2C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000844647340 998056900 /nfs/dbraw/zinc/05/69/00/998056900.db2.gz YQUAJIRSHOPSRQ-WQAKAFBOSA-N 1 0 364.402 2.673 20 5 FFBDRO C[N@@H+]1CCN(Cn2ncc3cc([N+](=O)[O-])ccc32)[C@@H](Cc2ccccc2)C1 ZINC000844739938 998109162 /nfs/dbraw/zinc/10/91/62/998109162.db2.gz FFHMUPMILNQIMZ-IBGZPJMESA-N 1 0 365.437 2.761 20 5 FFBDRO COc1nc(C)nc(-n2cc(C[C@H](C)[NH3+])c3ccc(C)cc32)c1[N+](=O)[O-] ZINC001171167404 998395676 /nfs/dbraw/zinc/39/56/76/998395676.db2.gz YOEATHQVZRWUGX-NSHDSACASA-N 1 0 355.398 2.844 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@H]1COC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000845735770 998643023 /nfs/dbraw/zinc/64/30/23/998643023.db2.gz OPAKTNOENKTFKX-HNNXBMFYSA-N 1 0 358.398 2.810 20 5 FFBDRO CC(C)[C@@H](C[NH+](C)C)NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000733168300 998905268 /nfs/dbraw/zinc/90/52/68/998905268.db2.gz SREUDDYHOBAJSM-GOSISDBHSA-N 1 0 365.477 2.857 20 5 FFBDRO C[NH2+]C1(CNC(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)CCC1 ZINC000823875145 999090468 /nfs/dbraw/zinc/09/04/68/999090468.db2.gz YSTDULZDCBITCB-UHFFFAOYSA-N 1 0 350.177 2.913 20 5 FFBDRO CC[C@@H](C(=O)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+](CC)CC ZINC000741033547 999701791 /nfs/dbraw/zinc/70/17/91/999701791.db2.gz SIRMSTRXVDSIKZ-AWEZNQCLSA-N 1 0 362.386 2.808 20 5 FFBDRO COc1ccc([C@@H]2[C@@H](COC(=O)c3ccc([N+](=O)[O-])n3C)CC[N@@H+]2C)cc1 ZINC000741120414 999709507 /nfs/dbraw/zinc/70/95/07/999709507.db2.gz GDBLFSODIDKNKH-RDTXWAMCSA-N 1 0 373.409 2.792 20 5 FFBDRO CN(CC[NH+]1CCN(c2ccccc2)CC1)c1cccc(F)c1[N+](=O)[O-] ZINC000737423114 999718139 /nfs/dbraw/zinc/71/81/39/999718139.db2.gz OYQCHEXLHRIBOV-UHFFFAOYSA-N 1 0 358.417 2.992 20 5 FFBDRO C[C@@H]1CCC[N@@H+]1CCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000742242108 999766120 /nfs/dbraw/zinc/76/61/20/999766120.db2.gz SDRSDQZGHJHEDT-OAHLLOKOSA-N 1 0 360.458 2.799 20 5 FFBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000742423211 999773639 /nfs/dbraw/zinc/77/36/39/999773639.db2.gz IMLVCSMEWYQUTK-KRWDZBQOSA-N 1 0 368.437 2.665 20 5 FFBDRO CC(C)C[C@@H]1CC[N@H+](CN2C(=O)N[C@@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000744437107 999856566 /nfs/dbraw/zinc/85/65/66/999856566.db2.gz GUBSHIPGRUNEQI-LIRRHRJNSA-N 1 0 374.441 2.687 20 5 FFBDRO COc1ccc(OCCOC(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)c([N+](=O)[O-])c1 ZINC000745091365 999891936 /nfs/dbraw/zinc/89/19/36/999891936.db2.gz GMMATVMQCANJCV-MCIONIFRSA-N 1 0 366.414 2.787 20 5 FFBDRO CC(C)(C)OC(=O)N1CC[C@H](C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)[C@H](F)C1 ZINC001168970376 1000013565 /nfs/dbraw/zinc/01/35/65/1000013565.db2.gz GZWVLDSANPMKAA-KBUPBQIOSA-N 1 0 359.442 2.617 20 5 FFBDRO CC(C)(C)OC(=O)N1CCC2(C[NH+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)CC1 ZINC001169012977 1000015634 /nfs/dbraw/zinc/01/56/34/1000015634.db2.gz SQBXPBMPMZSDQO-CABCVRRESA-N 1 0 353.463 2.765 20 5 FFBDRO CC(C)(C)OC(=O)N1CC2(C1)CCCC[N@@H+]2[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169011396 1000015709 /nfs/dbraw/zinc/01/57/09/1000015709.db2.gz KDAJAMMPHBZCJR-LSDHHAIUSA-N 1 0 353.463 2.907 20 5 FFBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2I)C1 ZINC001168988152 1000015840 /nfs/dbraw/zinc/01/58/40/1000015840.db2.gz OMJFQCFGGWIAHG-PWSUYJOCSA-N 1 0 360.195 2.826 20 5 FFBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCC3(CCN(c4ncccn4)CC3)CC2)C1 ZINC001169018914 1000017270 /nfs/dbraw/zinc/01/72/70/1000017270.db2.gz DIZZPIASWKNXKR-IRXDYDNUSA-N 1 0 359.474 2.604 20 5 FFBDRO CN1C(=O)C[C@H](c2ccccc2)C12CC[NH+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169024410 1000017982 /nfs/dbraw/zinc/01/79/82/1000017982.db2.gz GYCDPQBMMSEGQX-YTQUADARSA-N 1 0 371.481 2.912 20 5 FFBDRO CC(C)(C)OC(=O)NC(=S)C1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169048295 1000018715 /nfs/dbraw/zinc/01/87/15/1000018715.db2.gz UHPMWUFDRKMSTJ-JSGCOSHPSA-N 1 0 371.503 2.996 20 5 FFBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCC(Oc3ncnc4ccccc43)CC2)C1 ZINC001169057924 1000019212 /nfs/dbraw/zinc/01/92/12/1000019212.db2.gz ZBKLONGPGWLRAV-GJZGRUSLSA-N 1 0 356.426 2.918 20 5 FFBDRO CC1(C)C[C@@H](Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C[C@@](C)(C[NH3+])C1 ZINC001169145257 1000027324 /nfs/dbraw/zinc/02/73/24/1000027324.db2.gz DRKXVRFRYUMBAG-SJKOYZFVSA-N 1 0 369.487 2.954 20 5 FFBDRO COC(=O)c1ncc([N+](=O)[O-])cc1N[C@@H]1CC(C)(C)C[C@](C)(C[NH3+])C1 ZINC001169145781 1000027333 /nfs/dbraw/zinc/02/73/33/1000027333.db2.gz HYMZYVJYDANRBF-PIGZYNQJSA-N 1 0 350.419 2.732 20 5 FFBDRO CCOC(=O)C1(Nc2ncc(C(C)(C)C)cc2[N+](=O)[O-])CC[NH+](C)CC1 ZINC001169491687 1000055589 /nfs/dbraw/zinc/05/55/89/1000055589.db2.gz HRDRVKSBWQBWEE-UHFFFAOYSA-N 1 0 364.446 2.727 20 5 FFBDRO O=[N+]([O-])c1c(NCc2ccc(-c3ccccn3)cc2)ncnc1C1C[NH2+]C1 ZINC001169889933 1000082425 /nfs/dbraw/zinc/08/24/25/1000082425.db2.gz WIKMJNDSJJWZHV-UHFFFAOYSA-N 1 0 362.393 2.746 20 5 FFBDRO [NH3+]CC12CCC(CC1)CN2C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000846681153 1000407442 /nfs/dbraw/zinc/40/74/42/1000407442.db2.gz RIECKZNXWBDKJW-UHFFFAOYSA-N 1 0 372.469 2.929 20 5 FFBDRO C[N@H+](CCOC(=O)c1cc(F)cc([N+](=O)[O-])c1N)Cc1ccc(F)cc1 ZINC000769086787 1000432666 /nfs/dbraw/zinc/43/26/66/1000432666.db2.gz JVSPECXIILKASR-UHFFFAOYSA-N 1 0 365.336 2.744 20 5 FFBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC001146308776 1000654770 /nfs/dbraw/zinc/65/47/70/1000654770.db2.gz YQLCGKPIUKXODR-AWEZNQCLSA-N 1 0 372.425 2.512 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2noc([C@@]3(O)CC[N@H+](Cc4ccccc4)C3)n2)s1 ZINC000771223086 1001055074 /nfs/dbraw/zinc/05/50/74/1001055074.db2.gz CCMVEOMNQWCRLV-QGZVFWFLSA-N 1 0 372.406 2.800 20 5 FFBDRO CC(C)[NH+]1CCN(CCCOC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000787577713 1001699637 /nfs/dbraw/zinc/69/96/37/1001699637.db2.gz CZZRYHRGXZMLIP-RMKNXTFCSA-N 1 0 361.442 2.567 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NC[C@@H](CC(C)C)[NH+](C)C ZINC000746715951 1001732734 /nfs/dbraw/zinc/73/27/34/1001732734.db2.gz DAVKFLIHSHYFRU-GFCCVEGCSA-N 1 0 368.390 2.678 20 5 FFBDRO O=C(O[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000788116902 1001756431 /nfs/dbraw/zinc/75/64/31/1001756431.db2.gz LBHBSNCTCDNLNI-HZPDHXFCSA-N 1 0 359.426 2.979 20 5 FFBDRO Cc1ccc(C)c(C[NH2+]CC2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCCCC2)c1 ZINC001276200963 1016526946 /nfs/dbraw/zinc/52/69/46/1016526946.db2.gz XLDVETGEIVNUCU-QZTJIDSGSA-N 1 0 359.470 2.877 20 5 FFBDRO C[C@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CCO1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788506601 1001814323 /nfs/dbraw/zinc/81/43/23/1001814323.db2.gz WSWKFJXZKPQYKG-MAUKXSAKSA-N 1 0 370.453 2.729 20 5 FFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1COC2(CCCC2)O1 ZINC000774480301 1001926603 /nfs/dbraw/zinc/92/66/03/1001926603.db2.gz VKEUYMZFCGLJHX-XJKSGUPXSA-N 1 0 363.414 2.587 20 5 FFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000791395351 1002689281 /nfs/dbraw/zinc/68/92/81/1002689281.db2.gz RQTYWCKWLFZGDE-SJKOYZFVSA-N 1 0 372.400 2.566 20 5 FFBDRO C[C@H]1C[NH+](Cc2ccc(CNc3nn(C)cc3[N+](=O)[O-])cc2)C[C@H](C)O1 ZINC001184821715 1002727780 /nfs/dbraw/zinc/72/77/80/1002727780.db2.gz WACXIUSBTJUZIS-KBPBESRZSA-N 1 0 359.430 2.550 20 5 FFBDRO COc1ccc(C[C@@H](C)N(C)Cc2nnc3ccccn32)c([N+](=O)[O-])c1 ZINC001170336160 1003118562 /nfs/dbraw/zinc/11/85/62/1003118562.db2.gz VAONSZJKQPXWJB-CYBMUJFWSA-N 1 0 355.398 2.709 20 5 FFBDRO COc1ccc(C[C@H](C)[NH+]2CCC(Oc3cnccn3)CC2)c([N+](=O)[O-])c1 ZINC001170353170 1003121769 /nfs/dbraw/zinc/12/17/69/1003121769.db2.gz XEGJATLOQVKOTJ-AWEZNQCLSA-N 1 0 372.425 2.868 20 5 FFBDRO COc1ccc(C[C@@H](C)[N@@H+]2CCC[C@@H](Oc3ncccn3)C2)c([N+](=O)[O-])c1 ZINC001170354849 1003123013 /nfs/dbraw/zinc/12/30/13/1003123013.db2.gz QGXXZYUAXYJQSO-RHSMWYFYSA-N 1 0 372.425 2.868 20 5 FFBDRO COc1ccc(C[C@H](C)[N@@H+]2CC[C@H](Oc3nccc(C)n3)C2)c([N+](=O)[O-])c1 ZINC001170356060 1003123054 /nfs/dbraw/zinc/12/30/54/1003123054.db2.gz VIMLCEKHFNDGGJ-YOEHRIQHSA-N 1 0 372.425 2.786 20 5 FFBDRO CCOC(=O)C1(F)CC[NH+]([C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC001170342697 1003130177 /nfs/dbraw/zinc/13/01/77/1003130177.db2.gz NFEAMDACXUHQKM-CYBMUJFWSA-N 1 0 368.405 2.902 20 5 FFBDRO COc1c(C(=O)N(CCc2ccccc2)CC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000793107636 1003282306 /nfs/dbraw/zinc/28/23/06/1003282306.db2.gz MADCCHQNJXXEBH-UHFFFAOYSA-N 1 0 371.437 2.850 20 5 FFBDRO O=C(O[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)c1ccc2c[nH+]cn2c1 ZINC000793171401 1003301043 /nfs/dbraw/zinc/30/10/43/1003301043.db2.gz FQUROFSEFWQYAK-LSDHHAIUSA-N 1 0 355.354 2.780 20 5 FFBDRO CC[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC001186800328 1003414670 /nfs/dbraw/zinc/41/46/70/1003414670.db2.gz OVXITGYOCCSGGG-GFCCVEGCSA-N 1 0 361.489 2.508 20 5 FFBDRO CN(CCC[NH+](C)C)CCNc1c(Br)cccc1[N+](=O)[O-] ZINC001186989634 1003498686 /nfs/dbraw/zinc/49/86/86/1003498686.db2.gz KGOXDXZUDLIMBY-UHFFFAOYSA-N 1 0 359.268 2.653 20 5 FFBDRO CN(CCC[NH+](C)C)CCNc1c2cc(Cl)ccc2ncc1[N+](=O)[O-] ZINC001186990296 1003521165 /nfs/dbraw/zinc/52/11/65/1003521165.db2.gz XDAUWUVNDHMJSO-UHFFFAOYSA-N 1 0 365.865 2.514 20 5 FFBDRO CCCNC(=O)OC[C@@H]1CCCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000805776594 1004129054 /nfs/dbraw/zinc/12/90/54/1004129054.db2.gz RQTHKJPJWGSHCI-INIZCTEOSA-N 1 0 365.430 2.964 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2C[C@H]3COC[C@@]3(c3ccccc3)C2)cc1 ZINC001197683045 1004320820 /nfs/dbraw/zinc/32/08/20/1004320820.db2.gz RTPVPQGQDUJYQJ-YSIASYRMSA-N 1 0 354.406 2.528 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+]C1([C@H]2CCCO2)CCC1 ZINC001198717415 1004725978 /nfs/dbraw/zinc/72/59/78/1004725978.db2.gz FOINRUDAJKRBPU-MRXNPFEDSA-N 1 0 363.414 2.623 20 5 FFBDRO O=[N+]([O-])c1ccnn1CN1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000747464545 1004781461 /nfs/dbraw/zinc/78/14/61/1004781461.db2.gz AJCJSLZTCLEJON-IBGZPJMESA-N 1 0 355.442 2.737 20 5 FFBDRO O=[N+]([O-])c1ccnn1CN1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000747464547 1004781628 /nfs/dbraw/zinc/78/16/28/1004781628.db2.gz AJCJSLZTCLEJON-LJQANCHMSA-N 1 0 355.442 2.737 20 5 FFBDRO C[N@@H+](Cc1ccccc1CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC1CC2(CCC2)C1 ZINC001050243742 1016929776 /nfs/dbraw/zinc/92/97/76/1016929776.db2.gz FOQMCEBJDJSOOT-RTBURBONSA-N 1 0 371.481 2.980 20 5 FFBDRO O=C(NC1CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 ZINC000776275189 1005342165 /nfs/dbraw/zinc/34/21/65/1005342165.db2.gz JPZNBJPOZIDCMR-IBGZPJMESA-N 1 0 369.421 2.523 20 5 FFBDRO O=C(NC1CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 ZINC000776275192 1005342459 /nfs/dbraw/zinc/34/24/59/1005342459.db2.gz JPZNBJPOZIDCMR-LJQANCHMSA-N 1 0 369.421 2.523 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H](O)COc1cccc(F)c1 ZINC000850427580 1005814916 /nfs/dbraw/zinc/81/49/16/1005814916.db2.gz WMFBGVHVOKFJIB-WFASDCNBSA-N 1 0 364.373 2.833 20 5 FFBDRO CC[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C[C@@H]1COc2ccccc2O1 ZINC000776574166 1005953234 /nfs/dbraw/zinc/95/32/34/1005953234.db2.gz DPWFYMLVCMFYSK-SJORKVTESA-N 1 0 358.394 2.790 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCC[C@@H](c3nnc4ccccn43)C2)cc1 ZINC000776584281 1005954950 /nfs/dbraw/zinc/95/49/50/1005954950.db2.gz KAZOSAJAJKXDFE-WBVHZDCISA-N 1 0 367.409 2.551 20 5 FFBDRO COC(=O)[C@@H]1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@H]2CCCC[C@@H]12 ZINC000852496925 1006054544 /nfs/dbraw/zinc/05/45/44/1006054544.db2.gz SKSKMGHBXRSDAI-MHORFTMASA-N 1 0 362.426 2.682 20 5 FFBDRO [NH3+]C[C@@H]1CCc2ccccc2N1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000852756106 1006168527 /nfs/dbraw/zinc/16/85/27/1006168527.db2.gz UGEWSKRDZCFPDM-AWEZNQCLSA-N 1 0 374.828 2.967 20 5 FFBDRO O=[N+]([O-])c1cn(CN2CC[C@H](C[NH+]3CCCCC3)C2)nc1-c1ccccn1 ZINC000853498334 1006415100 /nfs/dbraw/zinc/41/51/00/1006415100.db2.gz NGKIJHWYHLYABZ-MRXNPFEDSA-N 1 0 370.457 2.619 20 5 FFBDRO CC1([NH+]2CCC2)CCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000882504921 1006415436 /nfs/dbraw/zinc/41/54/36/1006415436.db2.gz AQCVSDOZISQYMN-UHFFFAOYSA-N 1 0 356.426 2.705 20 5 FFBDRO CCOC1CC2(C1)CCN(Cn1cc([N+](=O)[O-])c(-c3ccccn3)n1)C2 ZINC000853512394 1006421055 /nfs/dbraw/zinc/42/10/55/1006421055.db2.gz DSTODNSLCRMXEE-UHFFFAOYSA-N 1 0 357.414 2.702 20 5 FFBDRO CC(C)(C)OCCC[NH+]1CCN(c2cc(F)c([N+](=O)[O-])cc2CO)CC1 ZINC000882929866 1006565748 /nfs/dbraw/zinc/56/57/48/1006565748.db2.gz SGGYLTFROIJNCQ-UHFFFAOYSA-N 1 0 369.437 2.553 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)OCCCN1CC[NH+](C(C)C)CC1 ZINC000817239395 1007492392 /nfs/dbraw/zinc/49/23/92/1007492392.db2.gz RJDACWQTYCRMDO-UHFFFAOYSA-N 1 0 363.458 2.785 20 5 FFBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000856354739 1007784504 /nfs/dbraw/zinc/78/45/04/1007784504.db2.gz KOCMPWLHJZJMFX-OAHLLOKOSA-N 1 0 373.384 2.503 20 5 FFBDRO CCC[N@H+](CC)C[C@@H](C)NS(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC001190869193 1007819838 /nfs/dbraw/zinc/81/98/38/1007819838.db2.gz TZVOZGUMRVKFRQ-CQSZACIVSA-N 1 0 357.476 2.610 20 5 FFBDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 ZINC000818564148 1007944799 /nfs/dbraw/zinc/94/47/99/1007944799.db2.gz WUOSMYOAMRHYTB-HUUCEWRRSA-N 1 0 360.458 2.640 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]Cc2ccc(N3CCCCC3)nc2)cc1 ZINC000818961293 1007980078 /nfs/dbraw/zinc/98/00/78/1007980078.db2.gz POKOFZDQEIJEJE-GOSISDBHSA-N 1 0 356.426 2.803 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]Cc2ccc(N3CCCCC3)nc2)cc1 ZINC000818961297 1007980325 /nfs/dbraw/zinc/98/03/25/1007980325.db2.gz POKOFZDQEIJEJE-SFHVURJKSA-N 1 0 356.426 2.803 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000818955226 1007993757 /nfs/dbraw/zinc/99/37/57/1007993757.db2.gz OIFXPGQYTZFZNE-UYAOXDASSA-N 1 0 355.438 2.882 20 5 FFBDRO CC(C)(C)OC(=O)N1CCC[C@H]1C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819039023 1008015912 /nfs/dbraw/zinc/01/59/12/1008015912.db2.gz NYMHVXIDPBIDPC-HOTGVXAUSA-N 1 0 365.430 2.617 20 5 FFBDRO COc1ccc(OC)c(CCC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000819191748 1008061863 /nfs/dbraw/zinc/06/18/63/1008061863.db2.gz UHLYFXWLBNLJMN-GOSISDBHSA-N 1 0 360.410 2.868 20 5 FFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]Cc2ccncc2OCC(F)(F)F)c1 ZINC000819285767 1008081541 /nfs/dbraw/zinc/08/15/41/1008081541.db2.gz ZQGGJSLDDMPRGE-AWEZNQCLSA-N 1 0 371.315 2.754 20 5 FFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@H]2CCN(c3ccccc3F)C2)c1 ZINC000819325509 1008099204 /nfs/dbraw/zinc/09/92/04/1008099204.db2.gz FLILWJFFWDUQTL-KUHUBIRLSA-N 1 0 359.401 2.883 20 5 FFBDRO O=C(N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857763058 1008203951 /nfs/dbraw/zinc/20/39/51/1008203951.db2.gz NNUSYSVKRYEVGN-IUODEOHRSA-N 1 0 369.368 2.557 20 5 FFBDRO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000820009896 1008265223 /nfs/dbraw/zinc/26/52/23/1008265223.db2.gz XCEKTIVFFQFZQW-CRAIPNDOSA-N 1 0 366.421 2.934 20 5 FFBDRO CC(C)(C)[NH+]1CCC(NC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)CC1 ZINC001136320244 1008309109 /nfs/dbraw/zinc/30/91/09/1008309109.db2.gz KEMSSTQNYZIRBN-UHFFFAOYSA-N 1 0 354.838 2.823 20 5 FFBDRO C[C@H](CC(=O)O[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1)n1cccn1 ZINC000821172196 1008427053 /nfs/dbraw/zinc/42/70/53/1008427053.db2.gz YZJUQPXHICBIBI-PBHICJAKSA-N 1 0 358.398 2.560 20 5 FFBDRO O=C(CC[N@H+]1CCC[C@](O)(c2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000859588998 1008580913 /nfs/dbraw/zinc/58/09/13/1008580913.db2.gz ZFUTYBDSTXVADX-HXUWFJFHSA-N 1 0 369.421 2.907 20 5 FFBDRO O=C(NCCCCCC[NH2+]Cc1cc(F)ccc1Cl)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001178458407 1008995643 /nfs/dbraw/zinc/99/56/43/1008995643.db2.gz GAYZALILTULUPC-GDBMZVCRSA-N 1 0 371.840 2.911 20 5 FFBDRO C[N@@H+]1CC[C@H](NC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)[C@H]1c1ccccc1 ZINC000823956525 1009277424 /nfs/dbraw/zinc/27/74/24/1009277424.db2.gz SKSUWUJSSLDTLM-DOTOQJQBSA-N 1 0 355.398 2.744 20 5 FFBDRO [NH3+]C[C@@H]1COc2ccccc2N1c1ncnc2cc(F)c([N+](=O)[O-])cc21 ZINC001171394512 1009736820 /nfs/dbraw/zinc/73/68/20/1009736820.db2.gz YEWHVMSVZSFKBY-SNVBAGLBSA-N 1 0 355.329 2.535 20 5 FFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000118866638 1009789000 /nfs/dbraw/zinc/78/90/00/1009789000.db2.gz MBNHMAVEZHPEGF-CQSZACIVSA-N 1 0 357.370 2.627 20 5 FFBDRO O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCC([NH2+]C2CCC2)CC1 ZINC000889829193 1010142968 /nfs/dbraw/zinc/14/29/68/1010142968.db2.gz ISJIBQHRJGZHHJ-UHFFFAOYSA-N 1 0 369.425 2.527 20 5 FFBDRO CC1(C)CC[N@H+](CCNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000890081708 1010261815 /nfs/dbraw/zinc/26/18/15/1010261815.db2.gz LZZXOPGALVDRAE-UHFFFAOYSA-N 1 0 374.485 2.659 20 5 FFBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)CC1([NH+]3CCOCC3)CCCC1)CC2 ZINC000773990379 1010416682 /nfs/dbraw/zinc/41/66/82/1010416682.db2.gz DRNGCDKDPMRDEI-UHFFFAOYSA-N 1 0 373.453 2.827 20 5 FFBDRO O=[N+]([O-])c1cc(CO)c(NC2CC[NH+](Cc3ccccn3)CC2)cc1F ZINC000865448854 1010788565 /nfs/dbraw/zinc/78/85/65/1010788565.db2.gz ONAPEQQVDTYEMC-UHFFFAOYSA-N 1 0 360.389 2.698 20 5 FFBDRO CN1CC[C@@H]([NH+]2CCC(Nc3ccc([N+](=O)[O-])cc3C(F)F)CC2)C1=O ZINC000865886962 1010882074 /nfs/dbraw/zinc/88/20/74/1010882074.db2.gz PAZISPHQFIEPGS-OAHLLOKOSA-N 1 0 368.384 2.639 20 5 FFBDRO CCC1([NH+]2CCCC2)CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC)CC1 ZINC000866022846 1010908514 /nfs/dbraw/zinc/90/85/14/1010908514.db2.gz DKSOSULEDIGPPS-UHFFFAOYSA-N 1 0 360.458 2.799 20 5 FFBDRO Cc1ncccc1NC(=O)[C@H](C)[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866369107 1010984669 /nfs/dbraw/zinc/98/46/69/1010984669.db2.gz HFLSMNNUMWIEJU-AAEUAGOBSA-N 1 0 360.389 2.985 20 5 FFBDRO COCCN(CC1CC[NH+](C)CC1)C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000869763431 1011923018 /nfs/dbraw/zinc/92/30/18/1011923018.db2.gz WGPBTJNQXUOTTI-HNNXBMFYSA-N 1 0 363.458 2.515 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H](N(c1ncccn1)[C@@H]1CCC[NH2+]C1)CC2 ZINC001172914279 1012097782 /nfs/dbraw/zinc/09/77/82/1012097782.db2.gz GFRGEHMZFVNQTJ-PKOBYXMFSA-N 1 0 367.453 2.891 20 5 FFBDRO [NH3+]C1CCC(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)CC1 ZINC000646665567 1012115902 /nfs/dbraw/zinc/11/59/02/1012115902.db2.gz VXPSCPYCUOVBPE-UHFFFAOYSA-N 1 0 371.387 2.959 20 5 FFBDRO COC[C@@H]1C[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)Cc2cn(C)nc21 ZINC001172909495 1012122397 /nfs/dbraw/zinc/12/23/97/1012122397.db2.gz SYTFYLLFFUVNOX-ZWKOTPCHSA-N 1 0 370.453 2.822 20 5 FFBDRO CC(C)C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCc4ccc([N+](=O)[O-])cc4CC3)C[C@H]21 ZINC001172909751 1012122575 /nfs/dbraw/zinc/12/25/75/1012122575.db2.gz IPAJTTQOKGFJIJ-YSHGAJCASA-N 1 0 357.454 2.545 20 5 FFBDRO CCO[C@@H]1C[C@H]2C[N@@H+]([C@H]3CCc4ccc([N+](=O)[O-])cc4CC3)CCN2C1 ZINC001172910204 1012122627 /nfs/dbraw/zinc/12/26/27/1012122627.db2.gz KXGNFKLXTPHRFX-YSIASYRMSA-N 1 0 359.470 2.637 20 5 FFBDRO COC[C@H]1C[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)Cc2cn(C)nc21 ZINC001172909487 1012123481 /nfs/dbraw/zinc/12/34/81/1012123481.db2.gz SYTFYLLFFUVNOX-MSOLQXFVSA-N 1 0 370.453 2.822 20 5 FFBDRO Cc1cnc(C[NH2+]C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)cn1 ZINC001173007617 1012175889 /nfs/dbraw/zinc/17/58/89/1012175889.db2.gz UYNRECJVHIQNKQ-UHFFFAOYSA-N 1 0 363.368 2.730 20 5 FFBDRO C[C@@H]1C[N@@H+](C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)CCCO1 ZINC001173009442 1012180002 /nfs/dbraw/zinc/18/00/02/1012180002.db2.gz CICGFZDOPSPXRX-GFCCVEGCSA-N 1 0 355.385 2.953 20 5 FFBDRO C[C@@H]1COCC[N@@H+](C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)C1 ZINC001173010632 1012181884 /nfs/dbraw/zinc/18/18/84/1012181884.db2.gz WNVLQRYIVXKJCK-LBPRGKRZSA-N 1 0 355.385 2.810 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH+]3CCC4(COC4)CC3)CC2)c(F)c1 ZINC001173014114 1012185082 /nfs/dbraw/zinc/18/50/82/1012185082.db2.gz LFDWVMGJEPVBHE-UHFFFAOYSA-N 1 0 367.396 2.954 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(N2CCC([N@@H+]3CCOC[C@@H]3C3CC3)CC2)c(F)c1 ZINC001173019514 1012192145 /nfs/dbraw/zinc/19/21/45/1012192145.db2.gz LUYYHLMNMVZHJX-QGZVFWFLSA-N 1 0 367.396 2.953 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@@H]2CCN(c3ccccn3)C2)c1F ZINC001173181244 1012325226 /nfs/dbraw/zinc/32/52/26/1012325226.db2.gz OTXYFHWMJYXOMH-UONOGXRCSA-N 1 0 374.416 2.937 20 5 FFBDRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C1 ZINC001173186368 1012329616 /nfs/dbraw/zinc/32/96/16/1012329616.db2.gz RNBCDSZEHHKUPL-JHJVBQTASA-N 1 0 368.405 2.995 20 5 FFBDRO CC[C@@H]1CN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC[C@@H]1[NH3+] ZINC000647004078 1012329997 /nfs/dbraw/zinc/32/99/97/1012329997.db2.gz GDMRSFVWNDFOHR-QAPCUYQASA-N 1 0 363.461 2.741 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2CCC[C@@H](n3ccnn3)C2)c1F ZINC001173191164 1012330881 /nfs/dbraw/zinc/33/08/81/1012330881.db2.gz AVCYMOQDUJCPSB-CHWSQXEVSA-N 1 0 363.393 2.602 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C[C@H]2CCCN(C(C)=O)C2)c1F ZINC001173189332 1012332041 /nfs/dbraw/zinc/33/20/41/1012332041.db2.gz OJMMWIPWKHHMLT-TZMCWYRMSA-N 1 0 367.421 2.522 20 5 FFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1CCN(C(=O)N2CCCC2)CC1 ZINC001173215657 1012348571 /nfs/dbraw/zinc/34/85/71/1012348571.db2.gz XYPFZZOMKZEUEZ-OAHLLOKOSA-N 1 0 360.458 2.796 20 5 FFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cn(Cc2ccccn2)cn1 ZINC001173218049 1012351078 /nfs/dbraw/zinc/35/10/78/1012351078.db2.gz AOHRLUDAMPJEKC-OAHLLOKOSA-N 1 0 351.410 2.955 20 5 FFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1CCN(C(=O)c2cccnc2)CC1 ZINC001173222123 1012351342 /nfs/dbraw/zinc/35/13/42/1012351342.db2.gz USJFVMHYOOLASZ-OAHLLOKOSA-N 1 0 368.437 2.815 20 5 FFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc(N2CCCNC2=O)nc1 ZINC001173218164 1012351987 /nfs/dbraw/zinc/35/19/87/1012351987.db2.gz BVOQBPPDPJZYLN-AWEZNQCLSA-N 1 0 369.425 2.630 20 5 FFBDRO CCOC(=O)c1cc2n(n1)CCC[N@@H+]([C@@H](C)Cc1ccc([N+](=O)[O-])cc1)C2 ZINC001173220799 1012352563 /nfs/dbraw/zinc/35/25/63/1012352563.db2.gz CPRWAWXBWCFAOY-AWEZNQCLSA-N 1 0 372.425 2.805 20 5 FFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC1CCN(c2ccncn2)CC1 ZINC001173220498 1012352647 /nfs/dbraw/zinc/35/26/47/1012352647.db2.gz FMAZRPNTRJEFMS-OAHLLOKOSA-N 1 0 355.442 2.822 20 5 FFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCN(Cc2ccccc2)[C@@H](CO)C1 ZINC001173224443 1012358499 /nfs/dbraw/zinc/35/84/99/1012358499.db2.gz FWOVRMCFNQYBJR-LAUBAEHRSA-N 1 0 369.465 2.705 20 5 FFBDRO CCOC[C@H]1Cn2nccc2C[N@@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173227425 1012360714 /nfs/dbraw/zinc/36/07/14/1012360714.db2.gz OGWJQOHYLNGZKW-NVXWUHKLSA-N 1 0 358.442 2.891 20 5 FFBDRO CCCCC[N@H+](C)C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001173695530 1012902356 /nfs/dbraw/zinc/90/23/56/1012902356.db2.gz FVBFWRRSSKIECQ-UHFFFAOYSA-N 1 0 369.487 2.870 20 5 FFBDRO C[C@H]([NH2+]C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)C(C)(C)C ZINC001173692062 1012903249 /nfs/dbraw/zinc/90/32/49/1012903249.db2.gz CZLCAZJZSDRMSH-ZDUSSCGKSA-N 1 0 369.487 2.772 20 5 FFBDRO COc1ccc(COC[C@H](O)C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000748820235 1017681977 /nfs/dbraw/zinc/68/19/77/1017681977.db2.gz RPYWYASLNAKRKA-QGZVFWFLSA-N 1 0 360.410 2.579 20 5 FFBDRO CCOc1ccc([C@H](C)N[C@H]2C[NH2+]CC3(CCOCC3)C2)cc1[N+](=O)[O-] ZINC000925792933 1017849633 /nfs/dbraw/zinc/84/96/33/1017849633.db2.gz BYDWOGBKABIWPB-GOEBONIOSA-N 1 0 363.458 2.803 20 5 FFBDRO CCc1ccc([C@H]([NH2+]CC[C@@H]2CNC(=O)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000926978610 1018310182 /nfs/dbraw/zinc/31/01/82/1018310182.db2.gz IGJDCWUWCPCISZ-ORAYPTAESA-N 1 0 357.410 2.955 20 5 FFBDRO CC1(C)O[C@@H]2C[C@@H]([NH2+]C3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C[C@@H]2O1 ZINC000927057901 1018339443 /nfs/dbraw/zinc/33/94/43/1018339443.db2.gz MUBZKMMVCHRAMR-GJWQZFMSSA-N 1 0 361.442 2.836 20 5 FFBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[C@@H](O)C12CCOCC2 ZINC000927153731 1018382522 /nfs/dbraw/zinc/38/25/22/1018382522.db2.gz CCZOJUGLYFBEDM-OYSPMZIOSA-N 1 0 360.454 2.826 20 5 FFBDRO COc1ccc(-c2ccc(C[N@@H+]3CCCN(C=O)CC3)o2)c([N+](=O)[O-])c1 ZINC000827876838 1018850355 /nfs/dbraw/zinc/85/03/55/1018850355.db2.gz FNDIOACYWBNTRU-UHFFFAOYSA-N 1 0 359.382 2.528 20 5 FFBDRO [NH3+][C@@H](Cc1nnc(Cc2ccccc2F)o1)Cc1ccc([N+](=O)[O-])cc1 ZINC001217716145 1032848043 /nfs/dbraw/zinc/84/80/43/1032848043.db2.gz DAHQASPUZKTAHA-CQSZACIVSA-N 1 0 356.357 2.820 20 5 FFBDRO Cn1cc(C[C@H]2CC[N@H+](Cn3cc(-c4cccc([N+](=O)[O-])c4)cn3)C2)cn1 ZINC000777964074 1020356778 /nfs/dbraw/zinc/35/67/78/1020356778.db2.gz OJGHGQYQGHTWAI-OAHLLOKOSA-N 1 0 366.425 2.714 20 5 FFBDRO C[C@]1([C@H]2CCC[N@H+](CCCOc3ccc([N+](=O)[O-])cc3)C2)COC(=O)N1 ZINC000932016177 1020667064 /nfs/dbraw/zinc/66/70/64/1020667064.db2.gz JJYNESCJPRKCDK-KBXCAEBGSA-N 1 0 363.414 2.574 20 5 FFBDRO CCOc1cc(C[N@@H+]2CCC[C@@H]([C@]3(C)COC(=O)N3)C2)ccc1[N+](=O)[O-] ZINC000932018127 1020668313 /nfs/dbraw/zinc/66/83/13/1020668313.db2.gz ACKAJDCFKUINGD-KDOFPFPSSA-N 1 0 363.414 2.704 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]([C@]2(C)COC(=O)N2)C1 ZINC000932027431 1020673679 /nfs/dbraw/zinc/67/36/79/1020673679.db2.gz YJUYQKNGZWJLKY-KSSFIOAISA-N 1 0 363.414 2.704 20 5 FFBDRO COc1cc([C@@H](C)[NH2+]C2CCN(c3cc(C)[nH]n3)CC2)cc([N+](=O)[O-])c1 ZINC000903159652 1020708144 /nfs/dbraw/zinc/70/81/44/1020708144.db2.gz ZZGSXDSYMLIZLS-CYBMUJFWSA-N 1 0 359.430 2.955 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H](c2ccn(C)n2)C1 ZINC000932134195 1020714525 /nfs/dbraw/zinc/71/45/25/1020714525.db2.gz HZFXSYJGUIJUFA-OAHLLOKOSA-N 1 0 371.441 2.845 20 5 FFBDRO COc1ccc(COC[C@@H](O)C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000932180594 1020734475 /nfs/dbraw/zinc/73/44/75/1020734475.db2.gz AGCMDYRRRMHXKA-KDOFPFPSSA-N 1 0 360.410 2.832 20 5 FFBDRO C[NH+](C)CCN(Cc1ccccn1)C(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000932210814 1020743671 /nfs/dbraw/zinc/74/36/71/1020743671.db2.gz LWLCUPYOLOMSQH-OALUTQOASA-N 1 0 368.437 2.684 20 5 FFBDRO COC(=O)c1cc(C[NH2+][C@@H](C)c2cc(OC)cc([N+](=O)[O-])c2)n(C)c1C ZINC000903219744 1020749804 /nfs/dbraw/zinc/74/98/04/1020749804.db2.gz JPOWUEUUZSUDOR-NSHDSACASA-N 1 0 361.398 2.888 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCN(C)C[C@H]1CC(C)C ZINC000933246517 1020982637 /nfs/dbraw/zinc/98/26/37/1020982637.db2.gz CFUFZWPPDNMAGX-QGZVFWFLSA-N 1 0 362.474 2.894 20 5 FFBDRO COC(=O)C1([C@]2(O)CCC[N@@H+]([C@@H](C)c3ccccc3[N+](=O)[O-])C2)CCC1 ZINC000933841876 1021100788 /nfs/dbraw/zinc/10/07/88/1021100788.db2.gz VRXZRENRTQEXDD-LIRRHRJNSA-N 1 0 362.426 2.826 20 5 FFBDRO Cc1nn(CN2CCC[C@H]2C[NH+]2CCCCC2)c2ncc([N+](=O)[O-])cc12 ZINC000749954764 1021162552 /nfs/dbraw/zinc/16/25/52/1021162552.db2.gz NZHWFIIPFGQXFP-HNNXBMFYSA-N 1 0 358.446 2.556 20 5 FFBDRO C[C@@H]1CC[NH2+]C[C@H]1Oc1cccc(I)c1[N+](=O)[O-] ZINC001218043364 1032967212 /nfs/dbraw/zinc/96/72/12/1032967212.db2.gz GARPZLVHBNDCQE-LDYMZIIASA-N 1 0 362.167 2.576 20 5 FFBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001116507924 1021253349 /nfs/dbraw/zinc/25/33/49/1021253349.db2.gz VNJWGHWSWNBSAU-HNNXBMFYSA-N 1 0 366.849 2.670 20 5 FFBDRO COc1cc(O[C@@H]2C[NH2+]C[C@H]2C)c2c(c1)oc1ccc(OC)c(O)c1c2=O ZINC001218034971 1032963721 /nfs/dbraw/zinc/96/37/21/1032963721.db2.gz ZBINZTHWDDHEEF-QLJPJBMISA-N 1 0 371.389 2.656 20 5 FFBDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000750095459 1021337897 /nfs/dbraw/zinc/33/78/97/1021337897.db2.gz YUKCXNWHXKVDQT-UXHICEINSA-N 1 0 355.438 2.835 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCC[C@H]([C@H]2CCOC2)C1 ZINC000934836970 1021421790 /nfs/dbraw/zinc/42/17/90/1021421790.db2.gz GUIPBEFTCXMJCB-HOTGVXAUSA-N 1 0 361.442 2.980 20 5 FFBDRO Cc1nc(O[C@H]2CCC[C@@]23CC[NH2+]C3)c(Br)cc1[N+](=O)[O-] ZINC001218091832 1032990746 /nfs/dbraw/zinc/99/07/46/1032990746.db2.gz GRRUUBKMNLYSKP-JSGCOSHPSA-N 1 0 356.220 2.972 20 5 FFBDRO [NH3+][C@@H]1CCCC[C@@H]1C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001118263199 1022147501 /nfs/dbraw/zinc/14/75/01/1022147501.db2.gz DEZIDZCCUHNICI-NWDGAFQWSA-N 1 0 374.363 2.659 20 5 FFBDRO CC1(C)C[N@H+](Cc2ccccc2)C(C)(C)CN1C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC001118844995 1022433934 /nfs/dbraw/zinc/43/39/34/1022433934.db2.gz QFRKEXPPKYNLLR-UHFFFAOYSA-N 1 0 371.441 2.833 20 5 FFBDRO COc1cc(CN2CCN(c3cccc([N+](=O)[O-])c3)CC2)ccc1[N+](=O)[O-] ZINC000778937978 1022551658 /nfs/dbraw/zinc/55/16/58/1022551658.db2.gz BGUWHGHAUZESFL-UHFFFAOYSA-N 1 0 372.381 2.834 20 5 FFBDRO COc1cc(C[N@@H+]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000778942693 1022555262 /nfs/dbraw/zinc/55/52/62/1022555262.db2.gz PPHBSGMHLJCXJR-AWEZNQCLSA-N 1 0 365.430 2.950 20 5 FFBDRO C[NH+](C)CCCC1CCN(Cn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1 ZINC000159993119 1022864857 /nfs/dbraw/zinc/86/48/57/1022864857.db2.gz PMSOAICMEJLYKG-UHFFFAOYSA-N 1 0 362.430 2.514 20 5 FFBDRO COCCC[NH+]1CCC(NC(=O)/C=C(/C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000751918063 1022972819 /nfs/dbraw/zinc/97/28/19/1022972819.db2.gz CXCYXPOABGRXOR-PFONDFGASA-N 1 0 361.442 2.615 20 5 FFBDRO C/C(=C/C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000752351279 1023125786 /nfs/dbraw/zinc/12/57/86/1023125786.db2.gz QVWGNPBHXSMXEF-RXHHAWBHSA-N 1 0 373.453 2.758 20 5 FFBDRO O=[N+]([O-])c1ccc2nc(OCCO[C@H]3CC[NH2+]C3)cc(C(F)(F)F)c2c1 ZINC001218393907 1033135651 /nfs/dbraw/zinc/13/56/51/1033135651.db2.gz NJSGKRAIAWIWMN-NSHDSACASA-N 1 0 371.315 2.919 20 5 FFBDRO O=[N+]([O-])c1c(I)cccc1O[C@H]1C[NH2+]CCC12CC2 ZINC001218402065 1033139650 /nfs/dbraw/zinc/13/96/50/1033139650.db2.gz ABOQXEURTWZQHM-NSHDSACASA-N 1 0 374.178 2.720 20 5 FFBDRO C[C@H]1CC[C@H](Oc2c(I)cccc2[N+](=O)[O-])C[NH2+]1 ZINC001218407814 1033141438 /nfs/dbraw/zinc/14/14/38/1033141438.db2.gz RMOBLAZGSGRBRN-IUCAKERBSA-N 1 0 362.167 2.719 20 5 FFBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000755192806 1023576549 /nfs/dbraw/zinc/57/65/49/1023576549.db2.gz PLYFOINKFGGMNP-IDCODDLRSA-N 1 0 373.453 2.711 20 5 FFBDRO C[C@H](OC(=O)CCn1cc([N+](=O)[O-])cn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000755891981 1023647302 /nfs/dbraw/zinc/64/73/02/1023647302.db2.gz YYSQSKLHASXCTN-RDJZCZTQSA-N 1 0 372.425 2.635 20 5 FFBDRO O=[N+]([O-])c1cc(Br)cc(F)c1O[C@H]1C[NH2+]CCC1(F)F ZINC001218446056 1033158895 /nfs/dbraw/zinc/15/88/95/1033158895.db2.gz ATBHULJIJKKWHG-VIFPVBQESA-N 1 0 355.110 2.872 20 5 FFBDRO O=C([C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)N1CCC(Cc2c[nH]cn2)CC1 ZINC001123984955 1024198315 /nfs/dbraw/zinc/19/83/15/1024198315.db2.gz APGGCXUXRFBMPY-ZWKOTPCHSA-N 1 0 354.410 2.903 20 5 FFBDRO C[C@](O)(C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccc(F)cc1 ZINC000758598643 1024209329 /nfs/dbraw/zinc/20/93/29/1024209329.db2.gz BQZZOYXUBIUXGF-SFHVURJKSA-N 1 0 362.357 2.502 20 5 FFBDRO C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(C[N@@H+]2CCC[C@H]2C2CCC2)C1=O ZINC000246014327 1025695481 /nfs/dbraw/zinc/69/54/81/1025695481.db2.gz LHSOAHUWIQPKPZ-QFBILLFUSA-N 1 0 372.425 2.584 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ncn(C[N@H+]3CCCC[C@@H]3[C@H]3CCC[C@@H]3O)n2)cc1 ZINC000840117674 1026965335 /nfs/dbraw/zinc/96/53/35/1026965335.db2.gz WCVCOESDWYUQCK-KURKYZTESA-N 1 0 371.441 2.826 20 5 FFBDRO O=c1c([N+](=O)[O-])cn(Cc2cccc(C[NH+]3CCCCC3)c2)cc1[N+](=O)[O-] ZINC000840201560 1027005949 /nfs/dbraw/zinc/00/59/49/1027005949.db2.gz YORYNBSICWNLPV-UHFFFAOYSA-N 1 0 372.381 2.699 20 5 FFBDRO COc1nc(N2CCC[C@H]([NH3+])c3cc(C)ccc32)nc(OC)c1[N+](=O)[O-] ZINC001158731557 1027115518 /nfs/dbraw/zinc/11/55/18/1027115518.db2.gz YYYPVWFOAAAJDL-LBPRGKRZSA-N 1 0 359.386 2.642 20 5 FFBDRO O=[N+]([O-])c1cnc(N2CCC3(CC2)[NH2+]CCc2ccccc23)c([N+](=O)[O-])c1 ZINC001159010705 1027226563 /nfs/dbraw/zinc/22/65/63/1027226563.db2.gz MNXGNPPTMVEISA-UHFFFAOYSA-N 1 0 369.381 2.539 20 5 FFBDRO COc1cc(N2CCC3(CC2)[NH2+]CCc2ccccc23)ncc1[N+](=O)[O-] ZINC001159010348 1027227834 /nfs/dbraw/zinc/22/78/34/1027227834.db2.gz JVNUSNLOFQMCMR-UHFFFAOYSA-N 1 0 354.410 2.640 20 5 FFBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001159187695 1027299603 /nfs/dbraw/zinc/29/96/03/1027299603.db2.gz CCYCYSMUCQMXGL-KAVBBEAFSA-N 1 0 363.417 2.855 20 5 FFBDRO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c(N)c([N+](=O)[O-])c1 ZINC000248055080 1027375662 /nfs/dbraw/zinc/37/56/62/1027375662.db2.gz OFPGUDORLRVHRG-QAPCUYQASA-N 1 0 354.410 2.661 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(-n2c(-c3ccccc3)cnc2[C@H](C)[NH3+])n1 ZINC001159597398 1027442499 /nfs/dbraw/zinc/44/24/99/1027442499.db2.gz HBPFAIYDBQMXLG-NSHDSACASA-N 1 0 367.365 2.649 20 5 FFBDRO Cc1cc(C[N@H+]2CC=C(CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c(C)s1 ZINC001160090428 1027586850 /nfs/dbraw/zinc/58/68/50/1027586850.db2.gz FURGTLQRLWXALP-IAGOWNOFSA-N 1 0 363.483 2.669 20 5 FFBDRO O=[N+]([O-])c1ccc2nc(NCc3ccccc3N3CC[NH2+]CC3)cnc2c1 ZINC001160108715 1027594786 /nfs/dbraw/zinc/59/47/86/1027594786.db2.gz VYOUBOOGMDRVHD-UHFFFAOYSA-N 1 0 364.409 2.560 20 5 FFBDRO CC(C)(C)C(=O)C[NH+]1CCC(Nc2ccc3[nH]cc([N+](=O)[O-])c3n2)CC1 ZINC001161120274 1028022770 /nfs/dbraw/zinc/02/27/70/1028022770.db2.gz QSEGTABMZMIITI-UHFFFAOYSA-N 1 0 359.430 2.963 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC2CC[NH+](CC(C)(C)C)CC2)n1 ZINC001161211921 1028070693 /nfs/dbraw/zinc/07/06/93/1028070693.db2.gz FVRJBWSINUXENA-UHFFFAOYSA-N 1 0 350.419 2.699 20 5 FFBDRO COc1nc(N2CCC([NH3+])(Cc3ccccc3F)CC2)ccc1[N+](=O)[O-] ZINC001161987448 1028384489 /nfs/dbraw/zinc/38/44/89/1028384489.db2.gz OEIBQCNHAPNZTB-UHFFFAOYSA-N 1 0 360.389 2.678 20 5 FFBDRO CCOc1nc(NCC2(c3cccnc3)CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC001162037334 1028407225 /nfs/dbraw/zinc/40/72/25/1028407225.db2.gz RLVVLJAOXQPSSF-UHFFFAOYSA-N 1 0 357.414 2.517 20 5 FFBDRO C[N@@H+]1CCC[C@](C)(Nc2nc(C(F)(F)F)nc(Cl)c2[N+](=O)[O-])C1 ZINC001162336423 1028507366 /nfs/dbraw/zinc/50/73/66/1028507366.db2.gz BCENBYPLFOMNOD-NSHDSACASA-N 1 0 353.732 2.953 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])cnc1-n1cc(CC[NH3+])c2c1cccc2Cl ZINC001162654372 1028611205 /nfs/dbraw/zinc/61/12/05/1028611205.db2.gz YGBYHKQWKKPEOZ-UHFFFAOYSA-N 1 0 374.784 2.875 20 5 FFBDRO CC(=O)Nc1ccc(NC[C@H]2CCC3(CC[NH2+]CC3)CO2)cc1[N+](=O)[O-] ZINC001162962572 1028734685 /nfs/dbraw/zinc/73/46/85/1028734685.db2.gz DSAZNHHGUVLJQQ-OAHLLOKOSA-N 1 0 362.430 2.514 20 5 FFBDRO COc1ncc([N+](=O)[O-])c(N[C@@H]2CC3(CC[NH2+]CC3)c3ccc(C)cc32)n1 ZINC001163023489 1028764066 /nfs/dbraw/zinc/76/40/66/1028764066.db2.gz HNMGPFVKDWAMHV-OAHLLOKOSA-N 1 0 369.425 2.880 20 5 FFBDRO CC(C)[C@H](C[NH+](C)C)NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000780689876 1028768508 /nfs/dbraw/zinc/76/85/08/1028768508.db2.gz DKQURYGBZYZXDO-IBGZPJMESA-N 1 0 351.450 2.997 20 5 FFBDRO [NH3+]C[C@H](CO)c1ccc(Nc2nc(Cl)nc3ccc([N+](=O)[O-])cc32)cc1 ZINC001163053642 1028775360 /nfs/dbraw/zinc/77/53/60/1028775360.db2.gz SZAAIANUALHPPB-LLVKDONJSA-N 1 0 373.800 2.970 20 5 FFBDRO CCOC(=O)c1ccc(NCC[C@H]2C[NH2+]Cc3cccn3C2)c([N+](=O)[O-])c1 ZINC001163064007 1028783122 /nfs/dbraw/zinc/78/31/22/1028783122.db2.gz PERNSNXIKKQFAP-AWEZNQCLSA-N 1 0 372.425 2.795 20 5 FFBDRO Cn1c2ccccc2c(N2CCC[C@H]2C[NH+]2CCCCC2)c([N+](=O)[O-])c1=O ZINC001163105608 1028799638 /nfs/dbraw/zinc/79/96/38/1028799638.db2.gz BXKGGSYNJSMUIA-HNNXBMFYSA-N 1 0 370.453 2.901 20 5 FFBDRO O=[N+]([O-])c1cnc(-n2c3ccccc3nc2N2CC[NH2+]CC2)c2ccccc21 ZINC001155585737 1028801210 /nfs/dbraw/zinc/80/12/10/1028801210.db2.gz XHWBGZNBGAQUQD-UHFFFAOYSA-N 1 0 374.404 2.892 20 5 FFBDRO O=[N+]([O-])c1cnc(NC[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)c(C(F)(F)F)c1 ZINC001163284055 1028872347 /nfs/dbraw/zinc/87/23/47/1028872347.db2.gz JWZGAGOLRUBOFC-IINYFYTJSA-N 1 0 360.336 2.579 20 5 FFBDRO COc1cccc([C@@H](C[NH3+])Nc2cc(/C=C/N(C)C)c([N+](=O)[O-])cn2)c1 ZINC001163309620 1028884885 /nfs/dbraw/zinc/88/48/85/1028884885.db2.gz NIRDCOMBSWFDCU-KXPUMZMLSA-N 1 0 357.414 2.643 20 5 FFBDRO Cc1cc(N[C@@H]2CCO[C@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])cc1Br ZINC001163329075 1028896612 /nfs/dbraw/zinc/89/66/12/1028896612.db2.gz WCCWQJANAOJPGX-IAQYHMDHSA-N 1 0 370.247 2.989 20 5 FFBDRO COC(=O)c1ccc([C@@H]([NH3+])CNc2nc(C)cc(Cl)c2[N+](=O)[O-])cc1 ZINC001163462927 1028935650 /nfs/dbraw/zinc/93/56/50/1028935650.db2.gz UBJVADSKNNGXCF-ZDUSSCGKSA-N 1 0 364.789 2.850 20 5 FFBDRO C[N@@H+]1CCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C[C@@H]1C(C)(C)C ZINC001163930820 1029120983 /nfs/dbraw/zinc/12/09/83/1029120983.db2.gz WYCJPTMTXFZVCY-QGZVFWFLSA-N 1 0 371.441 2.787 20 5 FFBDRO Cc1cc(N2CCN(c3nc(C)ncc3[N+](=O)[O-])CC2)c2ccccc2[nH+]1 ZINC001164199078 1029198962 /nfs/dbraw/zinc/19/89/62/1029198962.db2.gz OQYQUFIXXZGIDR-UHFFFAOYSA-N 1 0 364.409 2.876 20 5 FFBDRO Cc1ncc([N+](=O)[O-])c(N2CCC[C@@H]([NH2+]COCC[Si](C)(C)C)C2)n1 ZINC001156466618 1029202259 /nfs/dbraw/zinc/20/22/59/1029202259.db2.gz SFIBXCAURIUONI-CQSZACIVSA-N 1 0 367.526 2.564 20 5 FFBDRO COc1cccc(C[C@@H]2CN(c3c(F)cc([N+](=O)[O-])cc3F)CC[NH2+]2)c1 ZINC001164413011 1029277319 /nfs/dbraw/zinc/27/73/19/1029277319.db2.gz VYNNJHCNCKUROJ-CYBMUJFWSA-N 1 0 363.364 2.903 20 5 FFBDRO Cc1c[n+]([O-])c(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc1[N+](=O)[O-] ZINC001164485325 1029292169 /nfs/dbraw/zinc/29/21/69/1029292169.db2.gz IJLQOCDLZVBTQD-OKZBNKHCSA-N 1 0 368.437 2.859 20 5 FFBDRO O=[N+]([O-])c1cnc(N2C[C@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001165083548 1029370813 /nfs/dbraw/zinc/37/08/13/1029370813.db2.gz GXWKUOUYSBUNLE-RHSMWYFYSA-N 1 0 369.381 2.609 20 5 FFBDRO O=C(CC[N@@H+]1CCC[C@@H](n2ccnc2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000782488634 1029717525 /nfs/dbraw/zinc/71/75/25/1029717525.db2.gz GHHIDWRZMDQSAJ-CQSZACIVSA-N 1 0 361.377 2.596 20 5 FFBDRO Cc1nc(Cl)nc(N(c2ccncc2F)C2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001158334616 1029800938 /nfs/dbraw/zinc/80/09/38/1029800938.db2.gz XPKZNFJVORHFCQ-UHFFFAOYSA-N 1 0 366.784 2.771 20 5 FFBDRO Cc1cc(N(c2nccc(Cl)c2[N+](=O)[O-])C2CC[NH2+]CC2)nc(C)n1 ZINC001158388097 1029817802 /nfs/dbraw/zinc/81/78/02/1029817802.db2.gz NBTNTXXTOBOEIV-UHFFFAOYSA-N 1 0 362.821 2.940 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC(C)(C)[C@@H]1COCC12OCCO2 ZINC000840802560 1029885712 /nfs/dbraw/zinc/88/57/12/1029885712.db2.gz MFONYWOGCWWWDM-YOEHRIQHSA-N 1 0 364.442 2.970 20 5 FFBDRO [NH3+]CC1(F)CCN(c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)nn2)CC1 ZINC001165264234 1029920332 /nfs/dbraw/zinc/92/03/32/1029920332.db2.gz XYTITKJBRPSGJD-UHFFFAOYSA-N 1 0 365.796 2.972 20 5 FFBDRO CC(C)[NH+]1CCC(CCNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC001534306699 1069629042 /nfs/dbraw/zinc/62/90/42/1069629042.db2.gz NXBHOZCUHGTPRT-UHFFFAOYSA-N 1 0 364.402 2.743 20 5 FFBDRO COc1cc(C)nc(N2[C@H](C(F)(F)F)CCC23CC[NH2+]CC3)c1[N+](=O)[O-] ZINC001165304796 1029940199 /nfs/dbraw/zinc/94/01/99/1029940199.db2.gz RWUGPSGCSPYUBT-LBPRGKRZSA-N 1 0 374.363 2.960 20 5 FFBDRO [NH3+]C1([C@H]2CN(c3nc(Cl)nc4ccc([N+](=O)[O-])cc43)C[C@H]2CF)CC1 ZINC001165428831 1029978279 /nfs/dbraw/zinc/97/82/79/1029978279.db2.gz HBGRCVLPTSDAKV-SKDRFNHKSA-N 1 0 365.796 2.705 20 5 FFBDRO Cc1cccc(N(c2cccc([N+](=O)[O-])n2)[C@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001165771156 1030117419 /nfs/dbraw/zinc/11/74/19/1030117419.db2.gz JNNPLKHETUJRNK-APWZRJJASA-N 1 0 354.410 2.957 20 5 FFBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001142221482 1030180852 /nfs/dbraw/zinc/18/08/52/1030180852.db2.gz FGGBLTJMDFYMNU-KBPBESRZSA-N 1 0 371.441 2.835 20 5 FFBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)C1 ZINC001142303914 1030288799 /nfs/dbraw/zinc/28/87/99/1030288799.db2.gz WQFDCPSJKCYXSA-CMPLNLGQSA-N 1 0 363.805 2.537 20 5 FFBDRO CC(C)(C)[C@H]1CC[N@H+](CN2C(=O)N[C@@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000784031124 1030431267 /nfs/dbraw/zinc/43/12/67/1030431267.db2.gz JWIXJHQIAGMSJX-LIRRHRJNSA-N 1 0 374.441 2.687 20 5 FFBDRO CC(C)(C)[C@@H]1CC[N@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000784513616 1030657513 /nfs/dbraw/zinc/65/75/13/1030657513.db2.gz DDZYBDXMQZMUAH-MRXNPFEDSA-N 1 0 374.485 2.611 20 5 FFBDRO O=C(CCN1CCCC[C@@H]1[C@H]1CCC[NH2+]1)Nc1cc([N+](=O)[O-])ccc1F ZINC000842473108 1030748371 /nfs/dbraw/zinc/74/83/71/1030748371.db2.gz PSORPNPXYLGNQQ-NVXWUHKLSA-N 1 0 364.421 2.669 20 5 FFBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1C[C@H]([NH3+])Cc2ccccc21 ZINC000842480640 1030755223 /nfs/dbraw/zinc/75/52/23/1030755223.db2.gz WKJQNIQLVDBVPY-DGCLKSJQSA-N 1 0 374.828 2.965 20 5 FFBDRO C[NH2+]C[C@H](C)c1noc([C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)n1 ZINC000842581117 1030796744 /nfs/dbraw/zinc/79/67/44/1030796744.db2.gz JLBZJKJQKWMPNE-WFASDCNBSA-N 1 0 373.413 2.586 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2ncn(C[N@@H+]3CCC[C@@H]3[C@H]3CCCOC3)n2)c1 ZINC000842616423 1030825894 /nfs/dbraw/zinc/82/58/94/1030825894.db2.gz ORMKIKGISRKJBW-DOTOQJQBSA-N 1 0 357.414 2.702 20 5 FFBDRO CC(C)c1ccc(C[NH2+][C@H]2CCN(c3cc(=O)[nH]cn3)C2)cc1[N+](=O)[O-] ZINC001203952913 1031007390 /nfs/dbraw/zinc/00/73/90/1031007390.db2.gz CLUBMCBAJCVZIQ-AWEZNQCLSA-N 1 0 357.414 2.582 20 5 FFBDRO C[C@H](O)[C@](C)(C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000843099314 1031182954 /nfs/dbraw/zinc/18/29/54/1031182954.db2.gz DSLCQZVLEIGKOU-BEVDRBHNSA-N 1 0 358.438 2.848 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@@]2(CO)C[C@H]2c2ccc(F)cc2)cc1 ZINC000843110557 1031189229 /nfs/dbraw/zinc/18/92/29/1031189229.db2.gz NUNLNQVXCDHOEE-IPMKNSEASA-N 1 0 360.385 2.523 20 5 FFBDRO C[C@@H](Cc1nc(CCNc2ccccc2[N+](=O)[O-])no1)[C@@H]1CCC[NH2+]C1 ZINC000843185206 1031230037 /nfs/dbraw/zinc/23/00/37/1031230037.db2.gz PXQAKEKFFXCEDL-UONOGXRCSA-N 1 0 359.430 2.811 20 5 FFBDRO [NH3+]CCc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)cc1 ZINC000843327828 1031322260 /nfs/dbraw/zinc/32/22/60/1031322260.db2.gz NVSYRLQYRXDXGW-UHFFFAOYSA-N 1 0 368.437 2.626 20 5 FFBDRO C[C@]1(CNC(=O)c2ccc([N+](=O)[O-])cn2)CC[N@H+](Cc2ccccc2)C1 ZINC000798527097 1031444458 /nfs/dbraw/zinc/44/44/58/1031444458.db2.gz NIIJXOSUPOVRSP-LJQANCHMSA-N 1 0 354.410 2.632 20 5 FFBDRO C[C@@]1(Br)C[C@H]1C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001205114505 1031533193 /nfs/dbraw/zinc/53/31/93/1031533193.db2.gz HWAUNOVHGROJCF-SWLSCSKDSA-N 1 0 354.248 2.890 20 5 FFBDRO C[N@@H+]1C[C@@]2(C)CN(C(=O)Cc3ccc([N+](=O)[O-])cc3Cl)C[C@@]2(C)C1 ZINC001149671872 1031565737 /nfs/dbraw/zinc/56/57/37/1031565737.db2.gz OLQYZCXXTARLHK-CALCHBBNSA-N 1 0 351.834 2.591 20 5 FFBDRO CC(C)[C@@H](C(=O)O[C@H]1CCCN(c2ccc(F)cc2[N+](=O)[O-])C1)[NH+](C)C ZINC000798859165 1031567942 /nfs/dbraw/zinc/56/79/42/1031567942.db2.gz CCSLNHOOUJUADE-YOEHRIQHSA-N 1 0 367.421 2.832 20 5 FFBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](C[C@@H](O)c3ccc(F)cn3)CC2)cc1 ZINC000799304751 1031729004 /nfs/dbraw/zinc/72/90/04/1031729004.db2.gz ZXBOGNDVNSEGPU-GOSISDBHSA-N 1 0 361.373 2.706 20 5 FFBDRO COc1ccc(CO[C@H]2CC[C@@H]([NH+]3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC001223517057 1033478995 /nfs/dbraw/zinc/47/89/95/1033478995.db2.gz ILHXSOYDPCAFCN-IYBDPMFKSA-N 1 0 350.415 2.763 20 5 FFBDRO O=[N+]([O-])c1ccc(COC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cn1 ZINC001224114243 1033724471 /nfs/dbraw/zinc/72/44/71/1033724471.db2.gz MSFWKTUINKCGTC-GOSISDBHSA-N 1 0 357.410 2.798 20 5 FFBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])NCc1ccc2c[nH+]cn2c1 ZINC001225063040 1034111469 /nfs/dbraw/zinc/11/14/69/1034111469.db2.gz VMHBEUVFDKASIF-UHFFFAOYSA-N 1 0 373.800 2.938 20 5 FFBDRO CC(C)[C@@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@@H](CO)C(C)C ZINC000831663809 1034190115 /nfs/dbraw/zinc/19/01/15/1034190115.db2.gz KKQBXMKIVWQMMV-KBXCAEBGSA-N 1 0 369.437 2.941 20 5 FFBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccnc2c1cccc2C(F)(F)F ZINC001225925480 1034453170 /nfs/dbraw/zinc/45/31/70/1034453170.db2.gz FUVWKZXANOPWLQ-LLVKDONJSA-N 1 0 357.352 2.616 20 5 FFBDRO CC1([NH+]2CCCCC2)CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000832247942 1034670456 /nfs/dbraw/zinc/67/04/56/1034670456.db2.gz ADGNXNLOICDPLA-UHFFFAOYSA-N 1 0 371.441 2.952 20 5 FFBDRO CC1([NH+]2CCCCC2)CCN(C(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000832249094 1034670478 /nfs/dbraw/zinc/67/04/78/1034670478.db2.gz QHORBIXBKMUCMQ-UHFFFAOYSA-N 1 0 361.442 2.841 20 5 FFBDRO C[NH+]1CCC2(CC[C@@H](COc3ncnc4ccc([N+](=O)[O-])cc43)O2)CC1 ZINC001226434648 1034683458 /nfs/dbraw/zinc/68/34/58/1034683458.db2.gz NXKRIMUCAWTNAV-AWEZNQCLSA-N 1 0 358.398 2.560 20 5 FFBDRO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(C[NH+]2CCCC2)o1 ZINC001139345996 1035068238 /nfs/dbraw/zinc/06/82/38/1035068238.db2.gz JSIFOZNTGWYZSM-UHFFFAOYSA-N 1 0 369.381 2.590 20 5 FFBDRO C[NH+](C)[C@H]1CC[C@H](Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001227499753 1035584079 /nfs/dbraw/zinc/58/40/79/1035584079.db2.gz CPBYHKODDUVSIM-HOMQSWHASA-N 1 0 354.319 2.663 20 5 FFBDRO COc1cc(O[C@@H](C)C[NH+](C)C)c2c(c1)oc1c(O)ccc(O)c1c2=O ZINC001227645822 1035653386 /nfs/dbraw/zinc/65/33/86/1035653386.db2.gz JTFHTPWTHHPSOJ-JTQLQIEISA-N 1 0 359.378 2.695 20 5 FFBDRO CCCCCCOC(=O)c1ccccc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001228166713 1035969535 /nfs/dbraw/zinc/96/95/35/1035969535.db2.gz FKYYHNNNCJEFAA-MRXNPFEDSA-N 1 0 366.478 2.786 20 5 FFBDRO Cc1cc(OC(=O)C[C@@H](O)C[N+](C)(C)C)ccc1OCc1ccccc1 ZINC001233603790 1036692628 /nfs/dbraw/zinc/69/26/28/1036692628.db2.gz MAGIUBKOSDGLKH-GOSISDBHSA-N 1 0 358.458 2.937 20 5 FFBDRO COC(=O)c1cnc(OC2CC[NH+](Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC001233860366 1036794868 /nfs/dbraw/zinc/79/48/68/1036794868.db2.gz ZWRWDSBCWOLNGY-UHFFFAOYSA-N 1 0 371.393 2.820 20 5 FFBDRO C[NH+](C)CCc1ccc(O[C@H](C[N+](=O)[O-])c2ccc3c(c2)OCO3)cc1 ZINC001229660766 1036812784 /nfs/dbraw/zinc/81/27/84/1036812784.db2.gz VYVUSBSNVSSPIO-LJQANCHMSA-N 1 0 358.394 2.916 20 5 FFBDRO CC(=O)O[C@H]1C[C@@H]2C[C@H](Oc3ccc(Cl)c([N+](=O)[O-])c3)C[C@H]1[N@@H+]2C ZINC001229964091 1037005694 /nfs/dbraw/zinc/00/56/94/1037005694.db2.gz NZUSUTKVJPZSGE-SPGJAERMSA-N 1 0 354.790 2.794 20 5 FFBDRO C[N@@H+]1[C@@H]2C[C@H](Oc3cnc4ccc(=O)n5c6ccccc6c3c45)[C@H]1CC(=O)C2 ZINC001234710502 1037151201 /nfs/dbraw/zinc/15/12/01/1037151201.db2.gz JHXGDWKIBCQBHQ-RZAIGCCYSA-N 1 0 373.412 2.622 20 5 FFBDRO Cc1ccc(C[NH2+]C2CC(S(=O)(=O)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC001207151680 1037199118 /nfs/dbraw/zinc/19/91/18/1037199118.db2.gz UFIOCFSJRUIRKE-UHFFFAOYSA-N 1 0 360.435 2.998 20 5 FFBDRO COCC[NH+]1CCC(Oc2cccc(Br)c2[N+](=O)[O-])CC1 ZINC001230326472 1037223171 /nfs/dbraw/zinc/22/31/71/1037223171.db2.gz NOAXGFDNUAHEEP-UHFFFAOYSA-N 1 0 359.220 2.847 20 5 FFBDRO CO[C@@H]1CC[N@H+](CCOc2c(C)cc(Br)cc2[N+](=O)[O-])C1 ZINC001230934722 1037411007 /nfs/dbraw/zinc/41/10/07/1037411007.db2.gz NKLCUIRUMQXOPE-GFCCVEGCSA-N 1 0 359.220 2.765 20 5 FFBDRO CCN1CCC([NH2+]C2CCN(c3ccc([N+](=O)[O-])c(OC)c3)CC2)CC1 ZINC001256085875 1038371141 /nfs/dbraw/zinc/37/11/41/1038371141.db2.gz SJFNXZMMGCYKMW-UHFFFAOYSA-N 1 0 362.474 2.646 20 5 FFBDRO COc1cc(N2CCC([NH2+][C@H](C)c3cncnc3)CC2)ccc1[N+](=O)[O-] ZINC001256087172 1038373025 /nfs/dbraw/zinc/37/30/25/1038373025.db2.gz QYSDYULWHKJLFD-CYBMUJFWSA-N 1 0 357.414 2.713 20 5 FFBDRO COc1cc(N2CCC([N@@H+]3C[C@H](CO)CC[C@@H]3C)CC2)ccc1[N+](=O)[O-] ZINC001256092910 1038377710 /nfs/dbraw/zinc/37/77/10/1038377710.db2.gz AYVRLHZUKFRARH-LSDHHAIUSA-N 1 0 363.458 2.665 20 5 FFBDRO COc1cc(N2CCC([NH2+]CCOc3ccncc3)CC2)ccc1[N+](=O)[O-] ZINC001256094562 1038380289 /nfs/dbraw/zinc/38/02/89/1038380289.db2.gz KYFMFYVIBHUMPP-UHFFFAOYSA-N 1 0 372.425 2.636 20 5 FFBDRO COc1cc(N2CCC([N@@H+]3CC[C@@H]4CCO[C@H]4C3)CC2)ccc1[N+](=O)[O-] ZINC001256094207 1038380340 /nfs/dbraw/zinc/38/03/40/1038380340.db2.gz VMMSXOVBARVZGL-KUHUBIRLSA-N 1 0 361.442 2.683 20 5 FFBDRO COc1cc(N2CCC([N@@H+]3CCn4cccc4C3)CC2)ccc1[N+](=O)[O-] ZINC001256099576 1038383896 /nfs/dbraw/zinc/38/38/96/1038383896.db2.gz RSGZGLNFHSGJGU-UHFFFAOYSA-N 1 0 356.426 2.890 20 5 FFBDRO Cc1ccc(S(=O)(=O)NCC[N@@H+](C)C2CCCCC2)c(C)c1[N+](=O)[O-] ZINC001208543346 1038400160 /nfs/dbraw/zinc/40/01/60/1038400160.db2.gz AIWSKTWJQVUSRU-UHFFFAOYSA-N 1 0 369.487 2.754 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1-c1nc2cc(N3CC[NH+](C)CC3)ccc2[nH]1 ZINC001251473430 1039148366 /nfs/dbraw/zinc/14/83/66/1039148366.db2.gz BHBOLWAXHOYZQD-UHFFFAOYSA-N 1 0 367.409 2.899 20 5 FFBDRO COc1ncc(Nc2cc(F)ccc2N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC001210139252 1039402448 /nfs/dbraw/zinc/40/24/48/1039402448.db2.gz ZRYFWUUZGLEXKC-UHFFFAOYSA-N 1 0 361.377 2.633 20 5 FFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001246879257 1039515634 /nfs/dbraw/zinc/51/56/34/1039515634.db2.gz NVMNJJJHBNLINN-BSIFCXSSSA-N 1 0 351.450 2.999 20 5 FFBDRO [NH3+][C@H](CCc1nc(-c2ncc(F)cc2[N+](=O)[O-])no1)Cc1ccccc1 ZINC001249159673 1040610484 /nfs/dbraw/zinc/61/04/84/1040610484.db2.gz RMQJNGUVVSCZOW-CYBMUJFWSA-N 1 0 357.345 2.682 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CCC[C@](O)(CF)CC3)CC2)cc1 ZINC001254473973 1040738528 /nfs/dbraw/zinc/73/85/28/1040738528.db2.gz KKHRWABCWPJHDS-GOSISDBHSA-N 1 0 351.422 2.750 20 5 FFBDRO CCC(=O)N[C@H]1CC[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001254472943 1040740251 /nfs/dbraw/zinc/74/02/51/1040740251.db2.gz WBRPMAAXQLHDEA-WKILWMFISA-N 1 0 374.485 2.991 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH+]3CCC(N4CC(F)C4)CC3)CC2)cc1 ZINC001254480095 1040747219 /nfs/dbraw/zinc/74/72/19/1040747219.db2.gz UVIJNJADSNBIEO-UHFFFAOYSA-N 1 0 362.449 2.682 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CC[NH+](CCc2ccccn2)CC1 ZINC001254563600 1040802626 /nfs/dbraw/zinc/80/26/26/1040802626.db2.gz ZJAAUQVBPAEOJA-KRWDZBQOSA-N 1 0 354.454 2.781 20 5 FFBDRO C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254567853 1040806337 /nfs/dbraw/zinc/80/63/37/1040806337.db2.gz PQTSLYCICSMCSB-YLQAJVPDSA-N 1 0 361.442 2.907 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]CC1(N3CCOCC3)CCCCC1)C2 ZINC001254572605 1040808783 /nfs/dbraw/zinc/80/87/83/1040808783.db2.gz QYEWGUCOKACGEO-SFHVURJKSA-N 1 0 359.470 2.687 20 5 FFBDRO COC(=O)C[C@H]([NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1cccc(O)c1 ZINC001254580506 1040812460 /nfs/dbraw/zinc/81/24/60/1040812460.db2.gz FYUOXLLOTLYTMX-YJBOKZPZSA-N 1 0 356.378 2.662 20 5 FFBDRO CC(C)(C)OC(=O)N1CC(CC[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254580742 1040813097 /nfs/dbraw/zinc/81/30/97/1040813097.db2.gz FFXWWZDMFHOICW-MRXNPFEDSA-N 1 0 361.442 2.909 20 5 FFBDRO O=C(NC1CCCC1)N1CCC([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254585665 1040817250 /nfs/dbraw/zinc/81/72/50/1040817250.db2.gz MVFPXWIXLQYYHV-GOSISDBHSA-N 1 0 372.469 2.768 20 5 FFBDRO CN1c2ccccc2[C@]2(CC[N@@H+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)C1=O ZINC001254594670 1040821807 /nfs/dbraw/zinc/82/18/07/1040821807.db2.gz HADLFLYZPCGMGA-LAUBAEHRSA-N 1 0 363.417 2.682 20 5 FFBDRO O=C(c1ccco1)N1CC[C@H]2C[N@@H+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@H]21 ZINC001254593813 1040822820 /nfs/dbraw/zinc/82/28/20/1040822820.db2.gz BXHITUKTUOBVOP-JCGIZDLHSA-N 1 0 367.405 2.502 20 5 FFBDRO CC(C)(C)OC(=O)N[C@]12C[C@H]1C[N@@H+]([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254595731 1040826027 /nfs/dbraw/zinc/82/60/27/1040826027.db2.gz YYPMLIMJXRAQGF-GMBSWORKSA-N 1 0 359.426 2.661 20 5 FFBDRO O=C(C1CC[NH+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1)N1CCCCC1 ZINC001254601022 1040831815 /nfs/dbraw/zinc/83/18/15/1040831815.db2.gz VCTZENNTHWBTNB-LJQANCHMSA-N 1 0 357.454 2.787 20 5 FFBDRO Cc1cnc(O[C@H]2CCC[N@@H+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)nc1 ZINC001254605327 1040834219 /nfs/dbraw/zinc/83/42/19/1040834219.db2.gz BERONEIKSAGBBT-ROUUACIJSA-N 1 0 354.410 2.704 20 5 FFBDRO COc1ccc(-c2nc3cc(N4CC[NH+](C)CC4)ccc3[nH]2)c([N+](=O)[O-])c1 ZINC001250838272 1041396466 /nfs/dbraw/zinc/39/64/66/1041396466.db2.gz XSXQFJDGJJKVPR-UHFFFAOYSA-N 1 0 367.409 2.899 20 5 FFBDRO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001262377071 1041665842 /nfs/dbraw/zinc/66/58/42/1041665842.db2.gz LEZHWWSDNLEOEP-HBNTYKKESA-N 1 0 361.368 2.514 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)c1F ZINC001262496329 1041705463 /nfs/dbraw/zinc/70/54/63/1041705463.db2.gz AUQSKQQIMKJFRY-XQQFMLRXSA-N 1 0 367.396 2.984 20 5 FFBDRO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cc(C(F)(F)F)ccc3[N+](=O)[O-])[C@H]2C1 ZINC001262826549 1041881073 /nfs/dbraw/zinc/88/10/73/1041881073.db2.gz MCTONCAHEVUKKL-XDTLVQLUSA-N 1 0 357.332 2.684 20 5 FFBDRO [NH3+]CC[C@H](NC(=O)CCc1c(Cl)cccc1[N+](=O)[O-])C(F)(F)F ZINC001263109968 1042108843 /nfs/dbraw/zinc/10/88/43/1042108843.db2.gz KWDXDTKMDPHJON-NSHDSACASA-N 1 0 353.728 2.577 20 5 FFBDRO O=C(NCC1([NH+]2CCCCC2)CCCCC1)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001538453315 1070436093 /nfs/dbraw/zinc/43/60/93/1070436093.db2.gz DZFGGKBQWCBCEI-UHFFFAOYSA-N 1 0 369.853 2.890 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC001309742320 1043504690 /nfs/dbraw/zinc/50/46/90/1043504690.db2.gz NDFMODMDYMMLFL-OAHLLOKOSA-N 1 0 367.471 2.507 20 5 FFBDRO CCOc1cc(NC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2C)c([N+](=O)[O-])cc1OCC ZINC001309999362 1043621498 /nfs/dbraw/zinc/62/14/98/1043621498.db2.gz BIEXEXYXHKCTRY-VXGBXAGGSA-N 1 0 366.418 2.606 20 5 FFBDRO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC001310077181 1043633377 /nfs/dbraw/zinc/63/33/77/1043633377.db2.gz KOLHVSPJSCXDBM-GXTWGEPZSA-N 1 0 370.862 2.950 20 5 FFBDRO C[C@@H]1CCC[N@@H+]1CCNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC001310506870 1043698974 /nfs/dbraw/zinc/69/89/74/1043698974.db2.gz IPTRAANRPGZYDQ-SNVBAGLBSA-N 1 0 371.235 2.963 20 5 FFBDRO CCc1ccc([C@@H](CNC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)[NH+](C)C)cc1 ZINC001539263033 1070599952 /nfs/dbraw/zinc/59/99/52/1070599952.db2.gz WOCCKYHRQBJBBE-GFCCVEGCSA-N 1 0 365.821 2.566 20 5 FFBDRO CC(C)(C)[NH+]1CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 ZINC001319519114 1045181229 /nfs/dbraw/zinc/18/12/29/1045181229.db2.gz XSFYEYIMZLMPFF-UHFFFAOYSA-N 1 0 360.458 2.751 20 5 FFBDRO O=[N+]([O-])c1cccc(-n2ccc(-c3nc([C@@H]4C[NH+]5CCC4CC5)no3)n2)c1 ZINC001323914451 1045773078 /nfs/dbraw/zinc/77/30/78/1045773078.db2.gz ISUIDHWCHQLCCZ-OAHLLOKOSA-N 1 0 366.381 2.640 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)c2ncnc(NCCCC[NH+]3CCOCC3)c2c1 ZINC001324250634 1045938358 /nfs/dbraw/zinc/93/83/58/1045938358.db2.gz KUNFNWYRYQKNLH-UHFFFAOYSA-N 1 0 365.821 2.716 20 5 FFBDRO Cc1c(CC(=O)N2C[C@]34C[N@@H+](C)C[C@@]3(C2)CCCC4)cccc1[N+](=O)[O-] ZINC001540114530 1070767345 /nfs/dbraw/zinc/76/73/45/1070767345.db2.gz ZIJISCXZHFCAQI-BGYRXZFFSA-N 1 0 357.454 2.780 20 5 FFBDRO [NH3+][C@]12CCC[C@H]1CN(C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)C2 ZINC001328587100 1048369479 /nfs/dbraw/zinc/36/94/79/1048369479.db2.gz AJJUPGDTIHGACM-LIRRHRJNSA-N 1 0 358.442 2.539 20 5 FFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H](CO)CC1CCOCC1 ZINC001329307011 1048661964 /nfs/dbraw/zinc/66/19/64/1048661964.db2.gz LYWKVGNIBZDALB-UKRRQHHQSA-N 1 0 354.422 2.680 20 5 FFBDRO Cn1cc([C@@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)c2ccccc2)cn1 ZINC001330617261 1049231672 /nfs/dbraw/zinc/23/16/72/1049231672.db2.gz AZZCAFWSCAXOQZ-HTWSVDAQSA-N 1 0 352.398 2.608 20 5 FFBDRO CCC[N@@H+]1CC[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 ZINC001331278949 1049547556 /nfs/dbraw/zinc/54/75/56/1049547556.db2.gz BBGVRPVLDXMJAR-JTQLQIEISA-N 1 0 374.210 2.711 20 5 FFBDRO C[N@@H+]1C[C@@]23CN(c4ncnc5cccc([N+](=O)[O-])c54)C[C@]2(C1)CCCC3 ZINC001339921454 1050337323 /nfs/dbraw/zinc/33/73/23/1050337323.db2.gz PAKXVAPUTOTRMN-KDURUIRLSA-N 1 0 353.426 2.850 20 5 FFBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CC[C@@H](CC[NH3+])C3)cc2[N+](=O)[O-])C1 ZINC001341872686 1050478773 /nfs/dbraw/zinc/47/87/73/1050478773.db2.gz NZMPGDDEHVMETE-BZUAXINKSA-N 1 0 374.485 2.888 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC001342235332 1050825585 /nfs/dbraw/zinc/82/55/85/1050825585.db2.gz OVYPJNZAWSCKQG-MGPUTAFESA-N 1 0 367.405 2.889 20 5 FFBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCC2(C[NH2+]C2)CC1 ZINC001340571114 1050957510 /nfs/dbraw/zinc/95/75/10/1050957510.db2.gz GAPSQKCZZRXLKP-UHFFFAOYSA-N 1 0 355.847 2.552 20 5 FFBDRO CCn1c(-c2ccc([N+](=O)[O-])s2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001340794533 1051140198 /nfs/dbraw/zinc/14/01/98/1051140198.db2.gz XAGDRVHREYLIEP-UHFFFAOYSA-N 1 0 364.475 2.902 20 5 FFBDRO Cc1nc(-c2ccc(NC(=O)Cn3c(C)ncc3[N+](=O)[O-])cc2)[nH]c1C ZINC001303123381 1051278768 /nfs/dbraw/zinc/27/87/68/1051278768.db2.gz YNCAMEZVALURMS-UHFFFAOYSA-N 1 0 354.370 2.745 20 5 FFBDRO CC(C)(C[NH3+])C1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CC1 ZINC001341401735 1051760088 /nfs/dbraw/zinc/76/00/88/1051760088.db2.gz UNIUPXGJVYYBAS-UHFFFAOYSA-N 1 0 351.472 2.910 20 5 FFBDRO C[NH+](C)CC[C@H](Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)c1cccnc1 ZINC001307211797 1052268770 /nfs/dbraw/zinc/26/87/70/1052268770.db2.gz HZRQASIDXJMLLU-HNNXBMFYSA-N 1 0 369.425 2.979 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@@H]1c1ncccn1 ZINC001307947797 1052370605 /nfs/dbraw/zinc/37/06/05/1052370605.db2.gz WCGGEBUTJPSFFV-MRXNPFEDSA-N 1 0 355.398 2.859 20 5 FFBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC001308067296 1052398474 /nfs/dbraw/zinc/39/84/74/1052398474.db2.gz AOWLJYGAVQQNRH-SGMGOOAPSA-N 1 0 366.849 2.744 20 5 FFBDRO CCc1ccc2c(c1)CC[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C2 ZINC001308170965 1052425326 /nfs/dbraw/zinc/42/53/26/1052425326.db2.gz PULAEWXNDSQTOH-GOSISDBHSA-N 1 0 356.422 2.955 20 5 FFBDRO COC(=O)[C@@H](C)Oc1ccccc1C[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC001308247313 1052436831 /nfs/dbraw/zinc/43/68/31/1052436831.db2.gz POLPVHIXCQGPGR-CQSZACIVSA-N 1 0 374.393 2.704 20 5 FFBDRO CC1(C)CCC[C@@H](C[NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC001308263697 1052439812 /nfs/dbraw/zinc/43/98/12/1052439812.db2.gz CVMHIXATCIIBRH-CQSZACIVSA-N 1 0 369.487 2.679 20 5 FFBDRO COc1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccccn2)c([N+](=O)[O-])c1 ZINC001344458373 1052781131 /nfs/dbraw/zinc/78/11/31/1052781131.db2.gz DUJNNZSCNXONCS-UHFFFAOYSA-N 1 0 373.413 2.594 20 5 FFBDRO COc1ccc(NC(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC001344498440 1052802393 /nfs/dbraw/zinc/80/23/93/1052802393.db2.gz ZHAMGHPNCCWPER-CYBMUJFWSA-N 1 0 362.430 2.942 20 5 FFBDRO C[NH+](C)[C@H](CNC(=O)Cc1cccc(F)c1[N+](=O)[O-])C1CCCCC1 ZINC001543062907 1071370250 /nfs/dbraw/zinc/37/02/50/1071370250.db2.gz DUUZQMQSDLYCEF-MRXNPFEDSA-N 1 0 351.422 2.903 20 5 FFBDRO Cc1nn(C[N@@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)c2ncc([N+](=O)[O-])cc12 ZINC001347244904 1053753527 /nfs/dbraw/zinc/75/35/27/1053753527.db2.gz WPHNJLNRLUZLGG-RHSMWYFYSA-N 1 0 359.430 2.887 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C3CCOCC3)CC2)cc1OC(F)F ZINC001336725686 1054170333 /nfs/dbraw/zinc/17/03/33/1054170333.db2.gz HXSLBSVKCDDADP-UHFFFAOYSA-N 1 0 371.384 2.934 20 5 FFBDRO COc1cccc([C@H]2C[NH2+]CCN2C(=O)CCc2cccc([N+](=O)[O-])c2)c1 ZINC001337034719 1054427163 /nfs/dbraw/zinc/42/71/63/1054427163.db2.gz FZLHPGWVAALYPN-LJQANCHMSA-N 1 0 369.421 2.709 20 5 FFBDRO COc1cc(C(=O)N2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)cc([N+](=O)[O-])c1C ZINC001337885233 1055083404 /nfs/dbraw/zinc/08/34/04/1055083404.db2.gz LUZKRNYBXJGRDZ-CWRNSKLLSA-N 1 0 361.442 2.714 20 5 FFBDRO Cc1cc(C(=O)Nc2cc(N3CC[NH+](C)CC3)ccc2[N+](=O)[O-])oc1C ZINC001338336464 1055427850 /nfs/dbraw/zinc/42/78/50/1055427850.db2.gz WUAFOKCGYYOYJD-UHFFFAOYSA-N 1 0 358.398 2.809 20 5 FFBDRO C[C@@H]1CN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1CC[NH3+] ZINC001358094707 1056137751 /nfs/dbraw/zinc/13/77/51/1056137751.db2.gz UYHBQBSLHMIZBG-GHMZBOCLSA-N 1 0 357.863 2.784 20 5 FFBDRO Nc1c(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc2ccccc2c1[N+](=O)[O-] ZINC001544237540 1071616887 /nfs/dbraw/zinc/61/68/87/1071616887.db2.gz JLCYKGFSRZCSPM-HOTGVXAUSA-N 1 0 354.410 2.687 20 5 FFBDRO CCn1c(-c2ccc([N+](=O)[O-])o2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001339468520 1056483224 /nfs/dbraw/zinc/48/32/24/1056483224.db2.gz WLXCAVVCSYJPRO-CYBMUJFWSA-N 1 0 360.418 2.531 20 5 FFBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 ZINC001450608526 1059033607 /nfs/dbraw/zinc/03/36/07/1059033607.db2.gz NBHQHYOYGHQXRC-OAHLLOKOSA-N 1 0 373.457 2.690 20 5 FFBDRO CCO[C@H]1COCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Br ZINC001354635477 1059294053 /nfs/dbraw/zinc/29/40/53/1059294053.db2.gz PMIWTXSCOXXROR-KBPBESRZSA-N 1 0 359.220 2.641 20 5 FFBDRO C[N@@H+]1C[C@@]2(C)CN(C(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])C[C@@]2(C)C1 ZINC001454283362 1059484389 /nfs/dbraw/zinc/48/43/89/1059484389.db2.gz CTRLKNUSCHUJKY-CALCHBBNSA-N 1 0 369.824 2.730 20 5 FFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC001454633557 1059590078 /nfs/dbraw/zinc/59/00/78/1059590078.db2.gz KFDDQRVMLJCEMH-GDBMZVCRSA-N 1 0 368.437 2.675 20 5 FFBDRO CCC(C)(C)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)CC1 ZINC000848301007 1059656350 /nfs/dbraw/zinc/65/63/50/1059656350.db2.gz YBAWFJXZICZFHE-UHFFFAOYSA-N 1 0 364.402 2.758 20 5 FFBDRO CC(C)N(CCN(C)Cc1ccc(Cl)cc1F)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001507787293 1059718186 /nfs/dbraw/zinc/71/81/86/1059718186.db2.gz JOBZMWIOPVQFOA-GDBMZVCRSA-N 1 0 371.840 2.813 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N2C[C@@H]3CCC[N@@H+]3Cc3ccccc32)n1 ZINC001354985766 1059735185 /nfs/dbraw/zinc/73/51/85/1059735185.db2.gz ZXTCKRGVBYHZKN-HNNXBMFYSA-N 1 0 352.394 2.923 20 5 FFBDRO O=C(NC[C@@H]1CCC[NH2+]CC1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001515670673 1059741783 /nfs/dbraw/zinc/74/17/83/1059741783.db2.gz UTXTVKGNKMAREM-GFCCVEGCSA-N 1 0 360.439 2.838 20 5 FFBDRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000848350285 1059835109 /nfs/dbraw/zinc/83/51/09/1059835109.db2.gz PKPHJIKXXXAMEX-IEBWSBKVSA-N 1 0 372.469 2.942 20 5 FFBDRO CCn1c([C@H](C)[N+](=O)[O-])nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001520819760 1060113783 /nfs/dbraw/zinc/11/37/83/1060113783.db2.gz AYHCFEAWOTXSKW-JKSUJKDBSA-N 1 0 364.494 2.728 20 5 FFBDRO CCn1c(-c2ccc([N+](=O)[O-])o2)nnc1N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@@H]2C1 ZINC001520821204 1060115415 /nfs/dbraw/zinc/11/54/15/1060115415.db2.gz YLSMRPWXBGVSHJ-MJBXVCDLSA-N 1 0 374.445 2.633 20 5 FFBDRO O=C1O[C@H](C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CN1C1CC1 ZINC000848570923 1060293281 /nfs/dbraw/zinc/29/32/81/1060293281.db2.gz NTSRRFRAJQSJTK-XKQJLSEDSA-N 1 0 359.426 2.879 20 5 FFBDRO Cc1cc(NCCNC(=O)c2ccc(F)cc2[N+](=O)[O-])nc(C(C)C)n1 ZINC000600363843 1060312193 /nfs/dbraw/zinc/31/21/93/1060312193.db2.gz BTLJFDNHYHSCFT-UHFFFAOYSA-N 1 0 361.377 2.798 20 5 FFBDRO CC(C)C[C@@H]1C[N@H+](C)CCN1c1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC001458644231 1060641035 /nfs/dbraw/zinc/64/10/35/1060641035.db2.gz IUMCQXQQRBVKGS-CQSZACIVSA-N 1 0 358.442 2.613 20 5 FFBDRO O=C(N[C@@H]1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1)c1ccccc1 ZINC001459543659 1060772869 /nfs/dbraw/zinc/77/28/69/1060772869.db2.gz RXUUGOJXOPGLDT-QGZVFWFLSA-N 1 0 369.421 2.868 20 5 FFBDRO COc1ccc(C[C@H]2CC[N@@H+]2C[C@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC001459656063 1060788084 /nfs/dbraw/zinc/78/80/84/1060788084.db2.gz OTECNLBVYGBCKH-SJORKVTESA-N 1 0 372.421 2.660 20 5 FFBDRO COC(=O)[C@H](Cc1ccccc1)[C@@H](C)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC001460093937 1060896098 /nfs/dbraw/zinc/89/60/98/1060896098.db2.gz JHPWDQVEKBWPJG-DNVCBOLYSA-N 1 0 372.421 2.984 20 5 FFBDRO NC(=O)c1ccc(C[NH2+][C@H](Cc2cccnc2)C2CCCC2)c([N+](=O)[O-])c1 ZINC001460674094 1061056802 /nfs/dbraw/zinc/05/68/02/1061056802.db2.gz SOOPDPIYONXBCC-GOSISDBHSA-N 1 0 368.437 2.980 20 5 FFBDRO COC(=O)CC[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001460722981 1061077875 /nfs/dbraw/zinc/07/78/75/1061077875.db2.gz ZOLWKYXMSWTSAJ-AWEZNQCLSA-N 1 0 363.414 2.589 20 5 FFBDRO COc1cc2c(cc1OC)[C@@H](C1CC1)[N@H+](CCn1ccc([N+](=O)[O-])n1)CC2 ZINC001460755524 1061089744 /nfs/dbraw/zinc/08/97/44/1061089744.db2.gz ARIUKINNWSFUMP-LJQANCHMSA-N 1 0 372.425 2.818 20 5 FFBDRO COc1ccc(OCCN2CCN(c3cc[nH+]cc3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC001460801028 1061109189 /nfs/dbraw/zinc/10/91/89/1061109189.db2.gz KSIBZAVNNASMNO-HNNXBMFYSA-N 1 0 372.425 2.588 20 5 FFBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H]2CCOC23CCCC3)c([N+](=O)[O-])c1 ZINC001460910138 1061147367 /nfs/dbraw/zinc/14/73/67/1061147367.db2.gz RKVKEXKUFWDDIS-MRXNPFEDSA-N 1 0 363.414 2.623 20 5 FFBDRO O=C1[C@H]([N@@H+]2CCCC[C@@H]([C@@H]3CCOC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC001460925360 1061152621 /nfs/dbraw/zinc/15/26/21/1061152621.db2.gz SUKCCOSTYJWICJ-GPMSIDNRSA-N 1 0 373.453 2.839 20 5 FFBDRO CCC(C)(C)[NH+]1CCN(C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC001526712169 1061228173 /nfs/dbraw/zinc/22/81/73/1061228173.db2.gz UFIWXTJFRDAHJD-UHFFFAOYSA-N 1 0 350.419 2.942 20 5 FFBDRO C[S@@](=O)C1(C[NH2+]Cc2c(Br)cccc2[N+](=O)[O-])CCC1 ZINC001461460584 1061325296 /nfs/dbraw/zinc/32/52/96/1061325296.db2.gz HKKXSMVOMIWWDB-HXUWFJFHSA-N 1 0 361.261 2.748 20 5 FFBDRO CC(C)c1nnc(N(C)Cc2ccccc2[N+](=O)[O-])n1C[C@H](C)[NH+](C)C ZINC001359681862 1061628757 /nfs/dbraw/zinc/62/87/57/1061628757.db2.gz URFKYDANZHSCKK-AWEZNQCLSA-N 1 0 360.462 2.896 20 5 FFBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2C[C@H]3CC[N@H+](C)[C@H]3C2)CC1 ZINC001522272651 1061844897 /nfs/dbraw/zinc/84/48/97/1061844897.db2.gz ROYHDINRSJRRGN-BEFAXECRSA-N 1 0 372.469 2.607 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)n1 ZINC001529851141 1062414403 /nfs/dbraw/zinc/41/44/03/1062414403.db2.gz GUEXYNGKSKMZMY-MRXNPFEDSA-N 1 0 354.410 2.693 20 5 FFBDRO CC[NH+]1CCN(c2cc(N(C)C(=O)[C@H]3CC3(C)C)cc([N+](=O)[O-])c2)CC1 ZINC001438315689 1062984230 /nfs/dbraw/zinc/98/42/30/1062984230.db2.gz NUXJKYSTPZTTCP-QGZVFWFLSA-N 1 0 360.458 2.746 20 5 FFBDRO CN(C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1N)c1ccccc1Cl ZINC001440374224 1063298925 /nfs/dbraw/zinc/29/89/25/1063298925.db2.gz LDYTWADFIVQXST-INIZCTEOSA-N 1 0 362.817 2.863 20 5 FFBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1 ZINC001466097290 1063324765 /nfs/dbraw/zinc/32/47/65/1063324765.db2.gz JEZURXTYRBXWAJ-HNNXBMFYSA-N 1 0 363.462 2.598 20 5 FFBDRO C[C@@H](CNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N)[N@@H+]1CCCC[C@@H]1C ZINC001441491705 1063446545 /nfs/dbraw/zinc/44/65/45/1063446545.db2.gz HACSXYXWKJUTBJ-UWVGGRQHSA-N 1 0 372.828 2.962 20 5 FFBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)NC3CCC=CCC3)c2)CC1 ZINC001467373005 1063727079 /nfs/dbraw/zinc/72/70/79/1063727079.db2.gz XWOKHYOEDPJOEY-UHFFFAOYSA-N 1 0 373.457 2.967 20 5 FFBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCCCC[C@@H]([NH3+])C1 ZINC001575071062 1078102674 /nfs/dbraw/zinc/10/26/74/1078102674.db2.gz GRIIUFCDZWVDIF-VXGBXAGGSA-N 1 0 354.838 2.779 20 5 FFBDRO O=C1CCc2cc([N+](=O)[O-])c(N3CC[NH2+][C@H](Cc4ccccc4)C3)cc2N1 ZINC001472863163 1065161481 /nfs/dbraw/zinc/16/14/81/1065161481.db2.gz ZIGUTIAXOXPIBC-MRXNPFEDSA-N 1 0 366.421 2.500 20 5 FFBDRO O=C1CCc2cc([N+](=O)[O-])c(N3CC[NH2+][C@@H](Cc4ccccc4)C3)cc2N1 ZINC001472863161 1065161948 /nfs/dbraw/zinc/16/19/48/1065161948.db2.gz ZIGUTIAXOXPIBC-INIZCTEOSA-N 1 0 366.421 2.500 20 5 FFBDRO C[C@@H]([NH3+])CN(C)C(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC001576149370 1078201031 /nfs/dbraw/zinc/20/10/31/1078201031.db2.gz GXWLNKLBDXIQAN-OLZOCXBDSA-N 1 0 357.414 2.582 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]Cc2ccc3[nH]ccc3c2)cc1 ZINC001474105585 1065457056 /nfs/dbraw/zinc/45/70/56/1065457056.db2.gz FEVKSMGRMKUWSI-UHFFFAOYSA-N 1 0 359.407 2.640 20 5 FFBDRO CS(=O)(=O)[C@H]1C[C@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC001474245896 1065475617 /nfs/dbraw/zinc/47/56/17/1065475617.db2.gz LQZDIAISSXOPGK-AULYBMBSSA-N 1 0 350.396 2.520 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001475069533 1065692723 /nfs/dbraw/zinc/69/27/23/1065692723.db2.gz UZSCTYDXKLLIME-KCQAQPDRSA-N 1 0 369.487 2.548 20 5 FFBDRO C[C@H]1C[C@@H]1n1c([C@H]2C[C@@H]([NH3+])C2)nnc1N(C)Cc1ccccc1[N+](=O)[O-] ZINC001576635089 1078253173 /nfs/dbraw/zinc/25/31/73/1078253173.db2.gz OTFVZZSOBJEYBQ-ZIEJDFEHSA-N 1 0 356.430 2.608 20 5 FFBDRO CN(C(=O)CCc1c(Cl)cccc1[N+](=O)[O-])[C@@H](C[NH3+])C(F)(F)F ZINC001578376002 1078466855 /nfs/dbraw/zinc/46/68/55/1078466855.db2.gz AXMUBOFPNDLDRF-NSHDSACASA-N 1 0 353.728 2.529 20 5 FFBDRO CN(C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@H](C[NH3+])C(F)(F)F ZINC001578389551 1078468423 /nfs/dbraw/zinc/46/84/23/1078468423.db2.gz SCZJZHITGATNLR-SECBINFHSA-N 1 0 359.226 2.575 20 5 FFBDRO CN(C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@@H](C[NH3+])C(F)(F)F ZINC001578389552 1078468562 /nfs/dbraw/zinc/46/85/62/1078468562.db2.gz SCZJZHITGATNLR-VIFPVBQESA-N 1 0 359.226 2.575 20 5 FFBDRO C[NH2+][C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2CCCC2)C1 ZINC001578610539 1078501842 /nfs/dbraw/zinc/50/18/42/1078501842.db2.gz MDJIKMODXBUJTE-MRXNPFEDSA-N 1 0 370.457 2.842 20 5 FFBDRO COC(=O)c1cc(C)nc(N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC001578853427 1078534288 /nfs/dbraw/zinc/53/42/88/1078534288.db2.gz UEROCYFENJAFPW-GDBMZVCRSA-N 1 0 370.409 2.642 20 5 FFBDRO C[NH+](C)CCN(CC1CCCCC1)c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001578991617 1078559389 /nfs/dbraw/zinc/55/93/89/1078559389.db2.gz XGADGBZLRAXWCM-UHFFFAOYSA-N 1 0 373.461 2.723 20 5 FFBDRO COc1cc(C(=O)N2CCC(C(C)(C)C[NH3+])CC2)c([N+](=O)[O-])cc1F ZINC001579139044 1078574230 /nfs/dbraw/zinc/57/42/30/1078574230.db2.gz IPQRLMWPVWBTMH-UHFFFAOYSA-N 1 0 353.394 2.580 20 5 FFBDRO COc1ccc(OCCN2CC[C@@H](C[NH3+])c3ccccc32)c([N+](=O)[O-])c1 ZINC001579233056 1078594906 /nfs/dbraw/zinc/59/49/06/1078594906.db2.gz CDOIBACXGHVYLI-AWEZNQCLSA-N 1 0 357.410 2.935 20 5 FFBDRO [NH3+]Cc1ccc(CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)c(F)c1 ZINC001580337450 1078787822 /nfs/dbraw/zinc/78/78/22/1078787822.db2.gz ZGXMAQSUABKSIF-UHFFFAOYSA-N 1 0 356.357 2.533 20 5 FFBDRO [NH3+]Cc1cccnc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC001580347223 1078789438 /nfs/dbraw/zinc/78/94/38/1078789438.db2.gz QJPUEGGVTNZSRY-UHFFFAOYSA-N 1 0 355.398 2.691 20 5 FFBDRO CC[NH+](CC)C[C@H](C)NC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC001585143716 1079430823 /nfs/dbraw/zinc/43/08/23/1079430823.db2.gz BZAMVGXZVFBYRJ-NSHDSACASA-N 1 0 372.263 2.746 20 5 FFBDRO CC[NH+](CC)C[C@@H](C)NC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC001585143714 1079430972 /nfs/dbraw/zinc/43/09/72/1079430972.db2.gz BZAMVGXZVFBYRJ-LLVKDONJSA-N 1 0 372.263 2.746 20 5 FFBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC001559255625 1076140335 /nfs/dbraw/zinc/14/03/35/1076140335.db2.gz YBYQXLDZMSUXFL-GOEBONIOSA-N 1 0 368.437 2.874 20 5 FFBDRO CC(C)[C@@H]1CCCC[N@@H+]1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001559541393 1076170656 /nfs/dbraw/zinc/17/06/56/1076170656.db2.gz PAZZKRAQDLOSPL-IBGZPJMESA-N 1 0 374.485 2.754 20 5 FFBDRO C[N@@H+]1CC[C@H]2CN(Cc3cc([N+](=O)[O-])ccc3Br)CC[C@H]21 ZINC001560077423 1076222330 /nfs/dbraw/zinc/22/23/30/1076222330.db2.gz KRUCUCPVRVOOQV-XHDPSFHLSA-N 1 0 354.248 2.883 20 5 FFBDRO Cc1ccc(S(=O)(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)c(C)c1[N+](=O)[O-] ZINC001561248588 1076351775 /nfs/dbraw/zinc/35/17/75/1076351775.db2.gz VOTCLPJQTHYSFQ-OAHLLOKOSA-N 1 0 371.503 2.856 20 5 FFBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)N[C@@H]3CCC3(C)C)c2)CC1 ZINC001563310159 1076540775 /nfs/dbraw/zinc/54/07/75/1076540775.db2.gz MWNWWJVQZPGDBJ-MRXNPFEDSA-N 1 0 361.446 2.657 20 5 FFBDRO Cc1ccc(CNC(=O)N2CCN(c3cc[nH+]cc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC001565214090 1076698445 /nfs/dbraw/zinc/69/84/45/1076698445.db2.gz KCDRIHGVMBHJNG-OAHLLOKOSA-N 1 0 369.425 2.719 20 5 FFBDRO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1cccc(C[N@@H+]2CC[C@H](O)C2)c1 ZINC001569514689 1077149868 /nfs/dbraw/zinc/14/98/68/1077149868.db2.gz QLIFLJOXEURDGL-HNNXBMFYSA-N 1 0 373.384 2.861 20 5 FFBDRO O=C(NCC1([NH2+]CCCc2ccccc2Cl)CCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001570103893 1077182822 /nfs/dbraw/zinc/18/28/22/1077182822.db2.gz LYUSFNRUTFQDID-GDBMZVCRSA-N 1 0 365.861 2.566 20 5 FFBDRO C[NH+](C)[C@@H]1C[C@@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C12CCC2 ZINC001585891968 1079510136 /nfs/dbraw/zinc/51/01/36/1079510136.db2.gz RRHCARBYKSJLJA-IAGOWNOFSA-N 1 0 358.442 2.772 20 5 FFBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001586883317 1079700121 /nfs/dbraw/zinc/70/01/21/1079700121.db2.gz KKXQPMVRKCDMKR-HNNXBMFYSA-N 1 0 357.385 2.699 20 5 FFBDRO C[C@H](c1cccc(-c2nn[nH]n2)c1)[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001590043543 1080969705 /nfs/dbraw/zinc/96/97/05/1080969705.db2.gz OTQAGNNWJNGXFB-PXAZEXFGSA-N 1 0 368.397 2.501 20 5 FFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@@H](O)c1cccc(-c2nn[nH]n2)c1 ZINC001590052745 1080980949 /nfs/dbraw/zinc/98/09/49/1080980949.db2.gz TXBFOOOEOPNKBE-YVEFUNNKSA-N 1 0 368.397 2.501 20 5 FFBDRO CCC[N@H+](C)C[C@H]1CCN(Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000093742184 250044252 /nfs/dbraw/zinc/04/42/52/250044252.db2.gz LSRJPHJNDSSDIB-CQSZACIVSA-N 1 0 351.447 2.776 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)NC[C@H](C)C[NH+]2CCCC2)cc1SC ZINC000103072568 250133792 /nfs/dbraw/zinc/13/37/92/250133792.db2.gz ZFNYZWHJRAISPJ-LBPRGKRZSA-N 1 0 367.471 2.787 20 5 FFBDRO C[NH+](C)CCCOc1ccc(CNC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000103127143 250136596 /nfs/dbraw/zinc/13/65/96/250136596.db2.gz FETJSIWQJUZACT-UHFFFAOYSA-N 1 0 371.437 2.784 20 5 FFBDRO O=[N+]([O-])c1ccn(C2CC[NH+](CCCc3ccc4c(c3)CCO4)CC2)n1 ZINC000377094315 512121238 /nfs/dbraw/zinc/12/12/38/512121238.db2.gz VIZXVQQDNTXDIC-UHFFFAOYSA-N 1 0 356.426 2.996 20 5 FFBDRO CC1CCN(c2ccc(C(=O)NCC3CC[NH2+]CC3)cc2[N+](=O)[O-])CC1 ZINC000120654690 250613778 /nfs/dbraw/zinc/61/37/78/250613778.db2.gz UEHLUSGNQFSXPT-UHFFFAOYSA-N 1 0 360.458 2.561 20 5 FFBDRO CC(C)c1ccc(C[NH2+]CCC(=O)NCc2cccnc2)cc1[N+](=O)[O-] ZINC000131431453 250986660 /nfs/dbraw/zinc/98/66/60/250986660.db2.gz LQEUMWHDHRVTJP-UHFFFAOYSA-N 1 0 356.426 2.909 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000163257878 251180405 /nfs/dbraw/zinc/18/04/05/251180405.db2.gz WOBOWACZLDNGHN-CQSZACIVSA-N 1 0 362.430 2.943 20 5 FFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)CC[N@H+](C)C1CC1 ZINC000186763333 251259317 /nfs/dbraw/zinc/25/93/17/251259317.db2.gz LTUNYKSGBATYBU-LLVKDONJSA-N 1 0 354.838 2.601 20 5 FFBDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000186782166 251263346 /nfs/dbraw/zinc/26/33/46/251263346.db2.gz AXEBWTLYUVACEM-MFKMUULPSA-N 1 0 374.363 2.530 20 5 FFBDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC000272310244 252006595 /nfs/dbraw/zinc/00/65/95/252006595.db2.gz RUVKVDBPHMMJSD-JYYAWHABSA-N 1 0 374.485 2.886 20 5 FFBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000272335449 252012446 /nfs/dbraw/zinc/01/24/46/252012446.db2.gz WEAIQOCTZNUEQJ-WDEREUQCSA-N 1 0 374.363 2.611 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+](C)C[C@@H](O)COCCOC(C)C ZINC000272283971 252000183 /nfs/dbraw/zinc/00/01/83/252000183.db2.gz FUQFVNRXNGFUSA-NVXWUHKLSA-N 1 0 354.447 2.699 20 5 FFBDRO Cn1ccnc1[C@H](NCC[N@H+](C)C1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000272475876 252047050 /nfs/dbraw/zinc/04/70/50/252047050.db2.gz BEZDINIIJMEIEW-GOSISDBHSA-N 1 0 357.458 2.882 20 5 FFBDRO CC(C)[NH+]1CCC(N[C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000272504775 252054894 /nfs/dbraw/zinc/05/48/94/252054894.db2.gz HTAOIYSEFBRVKQ-SFHVURJKSA-N 1 0 357.458 2.880 20 5 FFBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)CCOc3ccc(Cl)cc3[N+](=O)[O-])[C@H]2C1 ZINC000272671404 252098449 /nfs/dbraw/zinc/09/84/49/252098449.db2.gz TXMRMUWAYZAQBB-WFASDCNBSA-N 1 0 367.833 2.570 20 5 FFBDRO Cn1ccnc1[C@@H](NC1CC[NH+](C2CC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000272584448 252074343 /nfs/dbraw/zinc/07/43/43/252074343.db2.gz YWIXOFOPHZFXRU-SFHVURJKSA-N 1 0 355.442 2.634 20 5 FFBDRO COc1ccc(NC(=O)NC2CC[NH+](CC(C)C)CC2)cc1[N+](=O)[O-] ZINC000272817981 252140474 /nfs/dbraw/zinc/14/04/74/252140474.db2.gz KTTRXHISHGKGQJ-UHFFFAOYSA-N 1 0 350.419 2.845 20 5 FFBDRO C[C@@H]([NH2+][C@H]1CCCN(Cc2ccccn2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000272967304 252177375 /nfs/dbraw/zinc/17/73/75/252177375.db2.gz GTCPDNRCFWIURI-KDOFPFPSSA-N 1 0 354.410 2.832 20 5 FFBDRO COCC[C@@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(C)o1 ZINC000273227167 252257798 /nfs/dbraw/zinc/25/77/98/252257798.db2.gz BXUBYTXIVRVJBD-HUUCEWRRSA-N 1 0 364.398 2.603 20 5 FFBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000285731613 257001912 /nfs/dbraw/zinc/00/19/12/257001912.db2.gz XOSMOBABGLRCCN-OCCSQVGLSA-N 1 0 366.849 2.745 20 5 FFBDRO COc1cc(OCC(=O)Nc2ccccc2CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000275810286 256050502 /nfs/dbraw/zinc/05/05/02/256050502.db2.gz JKRJXRYIMXVDJN-UHFFFAOYSA-N 1 0 373.409 2.725 20 5 FFBDRO C[NH+](C)C1(CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])CCC1 ZINC000275830700 256051756 /nfs/dbraw/zinc/05/17/56/256051756.db2.gz GAASZAKDFXECJM-UHFFFAOYSA-N 1 0 356.220 2.571 20 5 FFBDRO COc1cc(CNCC2([NH+](C)C)CCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000276046206 256068491 /nfs/dbraw/zinc/06/84/91/256068491.db2.gz TXWWYOFJZRJNFI-UHFFFAOYSA-N 1 0 373.400 2.821 20 5 FFBDRO CN(C(=O)c1cc([N+](=O)[O-])ccc1N)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000276484012 256103842 /nfs/dbraw/zinc/10/38/42/256103842.db2.gz GKJLWXVMANCVKM-MRXNPFEDSA-N 1 0 354.410 2.524 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N(CC[NH+](C)C)Cc1cccc(O)c1 ZINC000277027029 256153453 /nfs/dbraw/zinc/15/34/53/256153453.db2.gz GEIVFZFZYNHILM-UHFFFAOYSA-N 1 0 373.409 2.513 20 5 FFBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3Br)[C@@H]2C1 ZINC000277262018 256177958 /nfs/dbraw/zinc/17/79/58/256177958.db2.gz LMAHMWCHWYPUNE-GXFFZTMASA-N 1 0 368.231 2.524 20 5 FFBDRO CCCn1ccnc1CCC[N@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000277171039 256168094 /nfs/dbraw/zinc/16/80/94/256168094.db2.gz KRJUZOBQSXITAD-UHFFFAOYSA-N 1 0 373.457 2.729 20 5 FFBDRO CCOc1cc(C[NH+]2CCC3(CC2)[C@H](O)C[C@H]3OCC)ccc1[N+](=O)[O-] ZINC000276920503 256142778 /nfs/dbraw/zinc/14/27/78/256142778.db2.gz OYGMRWPQMICBMR-QZTJIDSGSA-N 1 0 364.442 2.745 20 5 FFBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000277381730 256191907 /nfs/dbraw/zinc/19/19/07/256191907.db2.gz WJJUKNHJBWLWDU-CABZTGNLSA-N 1 0 368.231 2.570 20 5 FFBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H]([NH+](C)C)CC1 ZINC000277305705 256182848 /nfs/dbraw/zinc/18/28/48/256182848.db2.gz UKWSKNLAUYTELI-STQMWFEESA-N 1 0 368.865 2.991 20 5 FFBDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000278770815 256346701 /nfs/dbraw/zinc/34/67/01/256346701.db2.gz WMHIDPWXJUOWTC-ZDUSSCGKSA-N 1 0 353.850 2.933 20 5 FFBDRO CCC[NH+]1CCC(N(C)C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)CC1 ZINC000279140604 256386006 /nfs/dbraw/zinc/38/60/06/256386006.db2.gz DAXVMEJFXWUOQX-UHFFFAOYSA-N 1 0 366.437 2.746 20 5 FFBDRO COCCOCCOCCC[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279141386 256386187 /nfs/dbraw/zinc/38/61/87/256386187.db2.gz RZEFGMAVNXEKGR-GOSISDBHSA-N 1 0 366.458 2.977 20 5 FFBDRO [NH3+]CC[C@@H]1CCCCN1C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000286180460 257024441 /nfs/dbraw/zinc/02/44/41/257024441.db2.gz RHTIQTVSBADHHP-ZDUSSCGKSA-N 1 0 355.822 2.747 20 5 FFBDRO CCS[C@@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000286236661 257027016 /nfs/dbraw/zinc/02/70/16/257027016.db2.gz RQOCTLIMUBCUQB-DZGCQCFKSA-N 1 0 353.444 2.806 20 5 FFBDRO COC(=O)c1cc(C)nc(NC2CC[NH+](C(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000286338395 257031838 /nfs/dbraw/zinc/03/18/38/257031838.db2.gz KEPSKRXDSVDCHS-UHFFFAOYSA-N 1 0 350.419 2.760 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000286791236 257055330 /nfs/dbraw/zinc/05/53/30/257055330.db2.gz IBYGEIJYCJLXIJ-MAUKXSAKSA-N 1 0 360.458 2.790 20 5 FFBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000286815635 257056557 /nfs/dbraw/zinc/05/65/57/257056557.db2.gz JYJCRCKUIWQVFI-WBMJQRKESA-N 1 0 366.849 2.745 20 5 FFBDRO CC1(C)C[C@H]([NH2+]C[C@H]2CCCS(=O)(=O)C2)c2cc([N+](=O)[O-])ccc21 ZINC000287002900 257066379 /nfs/dbraw/zinc/06/63/79/257066379.db2.gz KECJMKOYYMYIDZ-WBMJQRKESA-N 1 0 352.456 2.732 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1C[C@@H](N2CCOCC2)C[C@@H]1C ZINC000287066034 257069825 /nfs/dbraw/zinc/06/98/25/257069825.db2.gz HPQZDHHMFFULCA-GJZGRUSLSA-N 1 0 362.430 2.539 20 5 FFBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000287103078 257072012 /nfs/dbraw/zinc/07/20/12/257072012.db2.gz LKRMGWRKWUJALM-WBMJQRKESA-N 1 0 351.834 2.876 20 5 FFBDRO O=[N+]([O-])c1cc2c(ncnc2NC2CC[NH+](C[C@H]3CCOC3)CC2)s1 ZINC000287404881 257087722 /nfs/dbraw/zinc/08/77/22/257087722.db2.gz SLFRQEFEQFEKNX-LLVKDONJSA-N 1 0 363.443 2.512 20 5 FFBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N(C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000287431538 257089052 /nfs/dbraw/zinc/08/90/52/257089052.db2.gz OQCREJUXNRXBKU-INIZCTEOSA-N 1 0 362.474 2.899 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCc2ccc(F)c(C[NH+](C)C)c2)n1 ZINC000287462929 257090755 /nfs/dbraw/zinc/09/07/55/257090755.db2.gz WINUTOYMTWVKPC-UHFFFAOYSA-N 1 0 362.361 2.589 20 5 FFBDRO CCC[C@@]1(CO)CCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000288832051 257230982 /nfs/dbraw/zinc/23/09/82/257230982.db2.gz NZRKAFRJZHCAOP-MRXNPFEDSA-N 1 0 355.822 2.671 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000288473335 257192764 /nfs/dbraw/zinc/19/27/64/257192764.db2.gz QOODKOUZPWECSB-LJQANCHMSA-N 1 0 354.410 2.661 20 5 FFBDRO COc1ccc(CNCc2ccncc2OC[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000288499177 257196931 /nfs/dbraw/zinc/19/69/31/257196931.db2.gz RTTCMHFDWLZOGP-OAHLLOKOSA-N 1 0 373.409 2.704 20 5 FFBDRO Cc1ccc(C(=O)NCc2ccncc2OCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000288637461 257213158 /nfs/dbraw/zinc/21/31/58/257213158.db2.gz BYSIKQCUDSOQKP-UHFFFAOYSA-N 1 0 372.425 2.559 20 5 FFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000289289982 257272297 /nfs/dbraw/zinc/27/22/97/257272297.db2.gz QYTXZNIIVPXHTF-MGPQQGTHSA-N 1 0 351.472 2.957 20 5 FFBDRO CC(C)(CO)[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1cccs1 ZINC000289398279 257278888 /nfs/dbraw/zinc/27/88/88/257278888.db2.gz RTSIKDLFRFZXIR-MRXNPFEDSA-N 1 0 363.439 2.944 20 5 FFBDRO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@@H]1CCOC(C)(C)C1 ZINC000289672326 257293198 /nfs/dbraw/zinc/29/31/98/257293198.db2.gz GAHKTYBHZUEHLE-CQSZACIVSA-N 1 0 365.430 2.821 20 5 FFBDRO O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000290031906 257312305 /nfs/dbraw/zinc/31/23/05/257312305.db2.gz GAMWXCHAAFDFQE-INIZCTEOSA-N 1 0 372.469 2.657 20 5 FFBDRO COc1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])cc1F ZINC000294597867 257594472 /nfs/dbraw/zinc/59/44/72/257594472.db2.gz ZAWSFVKEQYGNKU-AWEZNQCLSA-N 1 0 373.384 2.747 20 5 FFBDRO COc1cc(C(=O)NC2CC[NH+](CC(C)C)CC2)c([N+](=O)[O-])cc1F ZINC000294682118 257598292 /nfs/dbraw/zinc/59/82/92/257598292.db2.gz JUNUNIXSVRJUQR-UHFFFAOYSA-N 1 0 353.394 2.593 20 5 FFBDRO Cc1cc(C(=O)N2CC[C@H](c3ccc(F)cc3)[C@H]([NH3+])C2)cc([N+](=O)[O-])c1 ZINC000297139160 257792997 /nfs/dbraw/zinc/79/29/97/257792997.db2.gz IAXXQENVVNEHQT-QZTJIDSGSA-N 1 0 357.385 2.999 20 5 FFBDRO CCC[NH+]1CCC(Nc2c([N+](=O)[O-])cc(CO)c(C)c2[N+](=O)[O-])CC1 ZINC000301090993 258024759 /nfs/dbraw/zinc/02/47/59/258024759.db2.gz NJWIVUHGGITISA-UHFFFAOYSA-N 1 0 352.391 2.590 20 5 FFBDRO C[NH+](C)CCn1cc(Nc2ccc(Br)cc2[N+](=O)[O-])cn1 ZINC000301162667 258030804 /nfs/dbraw/zinc/03/08/04/258030804.db2.gz HRYOLJGVKDQJDZ-UHFFFAOYSA-N 1 0 354.208 2.859 20 5 FFBDRO CC[NH+]1CCN([C@@H](C)CNc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000301202315 258033453 /nfs/dbraw/zinc/03/34/53/258033453.db2.gz XEGGNRTZWWQWGC-LBPRGKRZSA-N 1 0 371.279 2.795 20 5 FFBDRO C[NH+](C)CC1(CNc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])CCCC1 ZINC000302108062 258088668 /nfs/dbraw/zinc/08/86/68/258088668.db2.gz ATCZXAPITKKUQP-UHFFFAOYSA-N 1 0 355.460 2.532 20 5 FFBDRO CCc1nn(C)c(N2CC[N@H+](Cc3ccccc3)[C@@H](CC)C2)c1[N+](=O)[O-] ZINC000302144426 258091009 /nfs/dbraw/zinc/09/10/09/258091009.db2.gz GXEXDLJHIKUDKD-INIZCTEOSA-N 1 0 357.458 2.992 20 5 FFBDRO Cc1cc(NCCNC(=O)c2ccc(O)cc2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302191904 258094098 /nfs/dbraw/zinc/09/40/98/258094098.db2.gz RISNFESDPLFHKZ-UHFFFAOYSA-N 1 0 366.377 2.999 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([C@H](O)c3ncc[nH]3)CC2)c2ncccc12 ZINC000302608317 258106574 /nfs/dbraw/zinc/10/65/74/258106574.db2.gz AAHFNYJOZPVQEA-KRWDZBQOSA-N 1 0 353.382 2.816 20 5 FFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCS(=O)(=O)c3ccc(F)cc32)cc1 ZINC000326511956 258116047 /nfs/dbraw/zinc/11/60/47/258116047.db2.gz SAYMGSYAZGTEJY-MRXNPFEDSA-N 1 0 364.398 2.785 20 5 FFBDRO C[C@@H]1C[NH+](CCCNc2ncc([N+](=O)[O-])cc2Br)C[C@@H](C)O1 ZINC000301546420 258055243 /nfs/dbraw/zinc/05/52/43/258055243.db2.gz POWBXXJKTDVMHO-GHMZBOCLSA-N 1 0 373.251 2.664 20 5 FFBDRO CCCC[N@@H+]1CCCC[C@@H]1CNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000301630893 258060111 /nfs/dbraw/zinc/06/01/11/258060111.db2.gz BLMONRGBNUKFBH-CYBMUJFWSA-N 1 0 362.430 2.992 20 5 FFBDRO CC[N@@H+]1C[C@@H](C)N(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000330587740 258166201 /nfs/dbraw/zinc/16/62/01/258166201.db2.gz UATMFTKVUHIFKJ-NWDGAFQWSA-N 1 0 354.838 2.601 20 5 FFBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000331930581 258206616 /nfs/dbraw/zinc/20/66/16/258206616.db2.gz KZDVWPXYGOEIEW-MEDUHNTESA-N 1 0 353.369 2.501 20 5 FFBDRO CC(C)(C)[C@@H]1C[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000332044273 258211427 /nfs/dbraw/zinc/21/14/27/258211427.db2.gz LKBCAWQONJYVDC-INIZCTEOSA-N 1 0 363.414 2.640 20 5 FFBDRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000332248823 258221117 /nfs/dbraw/zinc/22/11/17/258221117.db2.gz BUDPSXYMUQWPIL-HOTGVXAUSA-N 1 0 364.465 2.724 20 5 FFBDRO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000332465402 258231448 /nfs/dbraw/zinc/23/14/48/258231448.db2.gz ISJOMPUJCRECGY-OCCSQVGLSA-N 1 0 366.849 2.745 20 5 FFBDRO CCC[NH+]1CCC(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000008143572 132843122 /nfs/dbraw/zinc/84/31/22/132843122.db2.gz QAVISOJRMUUJGR-UHFFFAOYSA-N 1 0 374.485 2.802 20 5 FFBDRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000065754750 506358504 /nfs/dbraw/zinc/35/85/04/506358504.db2.gz FQVSLFJUDNXISB-UHFFFAOYSA-N 1 0 374.372 2.876 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H](c2nccn2C)C1 ZINC000373100471 512171551 /nfs/dbraw/zinc/17/15/51/512171551.db2.gz RYONZTFONJYHKN-HNNXBMFYSA-N 1 0 371.441 2.845 20 5 FFBDRO Cc1noc(C)c1CO[C@@H]1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000375157673 512187610 /nfs/dbraw/zinc/18/76/10/512187610.db2.gz GMNNRWBARAKSMD-AEFFLSMTSA-N 1 0 361.398 2.524 20 5 FFBDRO CC(C)C[NH+]1CCC(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000065901153 506387786 /nfs/dbraw/zinc/38/77/86/506387786.db2.gz RBYFNKIUZZUTLS-UHFFFAOYSA-N 1 0 358.442 2.786 20 5 FFBDRO CC(C)[C@@H](CNC(=O)COc1ccccc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000041402400 506513741 /nfs/dbraw/zinc/51/37/41/506513741.db2.gz SJGNJJWOYSVYHE-QGZVFWFLSA-N 1 0 363.458 2.846 20 5 FFBDRO CC(C)[C@H](CNC(=O)COc1ccccc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000041402398 506513938 /nfs/dbraw/zinc/51/39/38/506513938.db2.gz SJGNJJWOYSVYHE-KRWDZBQOSA-N 1 0 363.458 2.846 20 5 FFBDRO COc1cccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])o2)[NH+]2CCCC2)c1 ZINC000041596635 506535022 /nfs/dbraw/zinc/53/50/22/506535022.db2.gz IXFLVIQRJAYTJI-HNNXBMFYSA-N 1 0 359.382 2.763 20 5 FFBDRO Cc1ccc(NC(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000043147968 506709073 /nfs/dbraw/zinc/70/90/73/506709073.db2.gz LPBKKJLWPOMPHX-OKILXGFUSA-N 1 0 350.419 2.524 20 5 FFBDRO CC(C)NS(=O)(=O)c1cccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000067216819 506796840 /nfs/dbraw/zinc/79/68/40/506796840.db2.gz RUSSQPFGMLGURE-UHFFFAOYSA-N 1 0 363.439 2.571 20 5 FFBDRO CC[NH+]1CCC(CNC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000067233081 506799991 /nfs/dbraw/zinc/79/99/91/506799991.db2.gz XPIBBDPJSPTQMQ-GFCCVEGCSA-N 1 0 369.849 2.864 20 5 FFBDRO CC[NH+]1CCC(CNC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000067233082 506799999 /nfs/dbraw/zinc/79/99/99/506799999.db2.gz XPIBBDPJSPTQMQ-LBPRGKRZSA-N 1 0 369.849 2.864 20 5 FFBDRO CC(C)C[NH+]1CCC(NC(=O)CSc2ccc([N+](=O)[O-])cc2)CC1 ZINC000067265427 506807614 /nfs/dbraw/zinc/80/76/14/506807614.db2.gz LCSPGBMSVSCGMF-UHFFFAOYSA-N 1 0 351.472 2.924 20 5 FFBDRO CC[NH+](CC)[C@@H](CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)c1ccco1 ZINC000067275220 506813908 /nfs/dbraw/zinc/81/39/08/506813908.db2.gz XUWUHWSXFUTYOI-HNNXBMFYSA-N 1 0 371.397 2.877 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000067538475 506915402 /nfs/dbraw/zinc/91/54/02/506915402.db2.gz HEQNBGTWOXACIM-HNNXBMFYSA-N 1 0 355.394 2.608 20 5 FFBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)NC(=O)NCc1ccccc1 ZINC000056196654 506959360 /nfs/dbraw/zinc/95/93/60/506959360.db2.gz BVRDQGONCLVFIC-UONOGXRCSA-N 1 0 370.409 2.660 20 5 FFBDRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000067722812 506988992 /nfs/dbraw/zinc/98/89/92/506988992.db2.gz QUFGDZNOPHBJNX-QGZVFWFLSA-N 1 0 356.426 2.567 20 5 FFBDRO C[C@H](CNC(=O)NCc1ccccc1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000045623021 506994206 /nfs/dbraw/zinc/99/42/06/506994206.db2.gz CMGKPFBSNGMCCD-OAHLLOKOSA-N 1 0 368.437 2.841 20 5 FFBDRO CC1CC[NH+](CCCCNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000067796769 507013189 /nfs/dbraw/zinc/01/31/89/507013189.db2.gz WRNSRYCKRHMVEX-UHFFFAOYSA-N 1 0 359.430 2.713 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[NH+](C2CCCC2)CC1 ZINC000045768856 507016117 /nfs/dbraw/zinc/01/61/17/507016117.db2.gz LRQPHTZCAYVOPQ-UHFFFAOYSA-N 1 0 360.458 2.792 20 5 FFBDRO C[NH+](C)CCOc1ccc(CNC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000045794384 507021435 /nfs/dbraw/zinc/02/14/35/507021435.db2.gz XYQJUEQPZONARK-UHFFFAOYSA-N 1 0 358.398 2.857 20 5 FFBDRO C[C@H]1CN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000367059542 512319623 /nfs/dbraw/zinc/31/96/23/512319623.db2.gz HMNONCYQLPPMAW-HNAYVOBHSA-N 1 0 369.469 2.605 20 5 FFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000046375367 507125378 /nfs/dbraw/zinc/12/53/78/507125378.db2.gz IPLJHYHQBLFVMD-UHFFFAOYSA-N 1 0 354.410 2.824 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000068353297 507198550 /nfs/dbraw/zinc/19/85/50/507198550.db2.gz LUXNZRHNOVOPBV-QWHCGFSZSA-N 1 0 369.849 2.864 20 5 FFBDRO Cc1cc(C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)ccc1[N+](=O)[O-] ZINC000057273827 507224996 /nfs/dbraw/zinc/22/49/96/507224996.db2.gz DHGLZWHHODRDCZ-UHFFFAOYSA-N 1 0 368.437 2.903 20 5 FFBDRO O=C(NC1CC1)[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000068951219 507368684 /nfs/dbraw/zinc/36/86/84/507368684.db2.gz XUIQOWRXCCAZER-SFHVURJKSA-N 1 0 355.394 2.583 20 5 FFBDRO O=C(NCC[NH+]1CCCCC1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000047866198 507402374 /nfs/dbraw/zinc/40/23/74/507402374.db2.gz GRMMDNUEXLVLSS-UHFFFAOYSA-N 1 0 358.345 2.804 20 5 FFBDRO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)NC1CC[NH+](C2CC2)CC1 ZINC000047865247 507402556 /nfs/dbraw/zinc/40/25/56/507402556.db2.gz URVCEFSZMVMJEL-UHFFFAOYSA-N 1 0 370.356 2.945 20 5 FFBDRO COc1ccc(C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000027592122 507669424 /nfs/dbraw/zinc/66/94/24/507669424.db2.gz HYNUIHNENDZVCH-INIZCTEOSA-N 1 0 361.373 2.775 20 5 FFBDRO O=C(CCOc1ccccc1[N+](=O)[O-])Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000071039313 507685553 /nfs/dbraw/zinc/68/55/53/507685553.db2.gz QXWBILQUFUAZMZ-UHFFFAOYSA-N 1 0 353.338 2.583 20 5 FFBDRO Cc1n[nH]c(C(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000064354931 507792203 /nfs/dbraw/zinc/79/22/03/507792203.db2.gz NIZSIQWLPYRQKR-UHFFFAOYSA-N 1 0 371.441 2.788 20 5 FFBDRO O=[N+]([O-])c1cc(CN2CC[NH+](CCCOCC(F)(F)F)CC2)cs1 ZINC000064518466 507800598 /nfs/dbraw/zinc/80/05/98/507800598.db2.gz INKLHUQWOJXXRB-UHFFFAOYSA-N 1 0 367.393 2.743 20 5 FFBDRO COc1ccc(NC(=O)CN2CCCc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000106888216 507825611 /nfs/dbraw/zinc/82/56/11/507825611.db2.gz MZQKZLKTZNETHV-UHFFFAOYSA-N 1 0 355.394 2.990 20 5 FFBDRO CCC[NH+]1CCC(N(C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000072630383 507834213 /nfs/dbraw/zinc/83/42/13/507834213.db2.gz NPLOHPDQHXVSLJ-UHFFFAOYSA-N 1 0 359.430 2.951 20 5 FFBDRO CCOc1ccccc1OCC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072664949 507840381 /nfs/dbraw/zinc/84/03/81/507840381.db2.gz GAISNWYUGXCJFQ-OAHLLOKOSA-N 1 0 372.425 2.954 20 5 FFBDRO C[NH+](C)CCN(Cc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000072729725 507848694 /nfs/dbraw/zinc/84/86/94/507848694.db2.gz MEZQBRGDUJMVHP-UHFFFAOYSA-N 1 0 357.410 2.564 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000072770540 507851855 /nfs/dbraw/zinc/85/18/55/507851855.db2.gz CLIYKDPSLHOAPA-TXEJJXNPSA-N 1 0 353.444 2.758 20 5 FFBDRO Cc1ccc([C@H](C)[NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000090015362 507902488 /nfs/dbraw/zinc/90/24/88/507902488.db2.gz XFHRMDDSPGBDAW-AWEZNQCLSA-N 1 0 363.439 2.532 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCCN(c2cccnn2)C1 ZINC000109071187 507936065 /nfs/dbraw/zinc/93/60/65/507936065.db2.gz BOOHXHSUISGXQD-HNNXBMFYSA-N 1 0 357.414 2.542 20 5 FFBDRO COc1cc(N2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000091478518 507988580 /nfs/dbraw/zinc/98/85/80/507988580.db2.gz CYMWFYKTGCVKBH-GJZGRUSLSA-N 1 0 363.458 2.929 20 5 FFBDRO CC(C)C[C@@H](CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)[NH+](C)C ZINC000074136883 507991595 /nfs/dbraw/zinc/99/15/95/507991595.db2.gz VRNIIGWDZSVWRT-INIZCTEOSA-N 1 0 362.474 2.901 20 5 FFBDRO O=C(C[N@@H+](CCCO)[C@@H]1CCc2ccccc21)Nc1ccccc1[N+](=O)[O-] ZINC000074313072 508010492 /nfs/dbraw/zinc/01/04/92/508010492.db2.gz JXSGASKAFSZKNM-GOSISDBHSA-N 1 0 369.421 2.905 20 5 FFBDRO C[C@@H](CNC(=O)COc1ccccc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000110351209 508022245 /nfs/dbraw/zinc/02/22/45/508022245.db2.gz MJXVKFZMZHOJCA-HNNXBMFYSA-N 1 0 357.410 2.610 20 5 FFBDRO C[NH+](C)CCCOc1cccc(NC(=O)COc2ccccc2[N+](=O)[O-])c1 ZINC000110489145 508030780 /nfs/dbraw/zinc/03/07/80/508030780.db2.gz LEVFLLRIOVJTMH-UHFFFAOYSA-N 1 0 373.409 2.943 20 5 FFBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000110629703 508038709 /nfs/dbraw/zinc/03/87/09/508038709.db2.gz BNDYFRKGTIRYMI-JSGCOSHPSA-N 1 0 366.849 2.745 20 5 FFBDRO Cc1cc(Sc2nnc([C@H]3CCC[NH2+]C3)n2C2CC2)ncc1[N+](=O)[O-] ZINC000074764260 508053101 /nfs/dbraw/zinc/05/31/01/508053101.db2.gz QECREYNDOVXIGL-NSHDSACASA-N 1 0 360.443 2.843 20 5 FFBDRO COc1cc(CN2CC[NH2+][C@@H](C)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000092455173 508072340 /nfs/dbraw/zinc/07/23/40/508072340.db2.gz NTIWCOZGKAXXKY-HNNXBMFYSA-N 1 0 371.437 2.976 20 5 FFBDRO NC(=O)C[C@@H]1CCCC[N@@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000092588328 508085051 /nfs/dbraw/zinc/08/50/51/508085051.db2.gz ACAHRSCUYBNXSL-AWEZNQCLSA-N 1 0 360.439 2.948 20 5 FFBDRO CC[NH+]1CCN(CCCNc2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000092607658 508086565 /nfs/dbraw/zinc/08/65/65/508086565.db2.gz LENOUPJCBJKNHT-UHFFFAOYSA-N 1 0 358.389 2.636 20 5 FFBDRO CCCn1nc(C)c(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1C ZINC000093534246 508148467 /nfs/dbraw/zinc/14/84/67/508148467.db2.gz MQWKCWYQDQYRMH-OAHLLOKOSA-N 1 0 358.446 2.900 20 5 FFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3ccc(N4CCCC4)nc3)C2)nc1 ZINC000093534388 508148474 /nfs/dbraw/zinc/14/84/74/508148474.db2.gz DBEAXHSHVDWARC-MRXNPFEDSA-N 1 0 368.441 2.671 20 5 FFBDRO CCC[N@H+](C)C[C@H]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000081570376 508191734 /nfs/dbraw/zinc/19/17/34/508191734.db2.gz ACQZRTRJXQKVBG-CYBMUJFWSA-N 1 0 368.865 2.850 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000076486607 508212866 /nfs/dbraw/zinc/21/28/66/508212866.db2.gz VSCBCKWICVFMOP-GDBMZVCRSA-N 1 0 371.441 2.583 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)CSc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000076492413 508213427 /nfs/dbraw/zinc/21/34/27/508213427.db2.gz OHJAWPTUODUMSX-CZUORRHYSA-N 1 0 351.472 2.876 20 5 FFBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000097069067 508218369 /nfs/dbraw/zinc/21/83/69/508218369.db2.gz PLDIBCDITVDJJH-CQSZACIVSA-N 1 0 371.441 2.600 20 5 FFBDRO Cc1ccc(S(=O)(=O)N(CC(C)C)C2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000101573884 508247796 /nfs/dbraw/zinc/24/77/96/508247796.db2.gz DHLZQUQJGLHDMR-UHFFFAOYSA-N 1 0 369.487 2.644 20 5 FFBDRO CCC(=O)N[C@H]1CCC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000104680566 508340835 /nfs/dbraw/zinc/34/08/35/508340835.db2.gz SPSVRTGYOYKSLR-HNNXBMFYSA-N 1 0 372.425 2.783 20 5 FFBDRO C[NH+](C)CCOc1ccc(CNC(=O)CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000087274659 508345784 /nfs/dbraw/zinc/34/57/84/508345784.db2.gz GAOAIAMGYOMGLQ-UHFFFAOYSA-N 1 0 371.437 2.784 20 5 FFBDRO CC[N@@H+](Cc1ccc2c(c1)OCO2)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000104949350 508354516 /nfs/dbraw/zinc/35/45/16/508354516.db2.gz XRERUWQCMMXBSI-MRXNPFEDSA-N 1 0 374.393 2.585 20 5 FFBDRO CCOC(=O)c1ccnc(NCCC[N@@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000077905337 508390750 /nfs/dbraw/zinc/39/07/50/508390750.db2.gz JCRDHGYYPOPUDB-CYBMUJFWSA-N 1 0 350.419 2.843 20 5 FFBDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000115436220 508394302 /nfs/dbraw/zinc/39/43/02/508394302.db2.gz ANFQMBWCORARBO-HNNXBMFYSA-N 1 0 360.458 2.609 20 5 FFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC([N@H+](C)CCCO)CC1 ZINC000115545786 508407177 /nfs/dbraw/zinc/40/71/77/508407177.db2.gz WADDQXQXIIDUDF-UHFFFAOYSA-N 1 0 365.474 2.661 20 5 FFBDRO Cc1ccc([C@H](C)NC(=O)N[C@H]2CCN(c3ccccn3)C2)cc1[N+](=O)[O-] ZINC000122082031 508478969 /nfs/dbraw/zinc/47/89/69/508478969.db2.gz OFVKLXSAFOQDPU-HOCLYGCPSA-N 1 0 369.425 2.937 20 5 FFBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC([NH+]2CCCCC2)CC1 ZINC000116367228 508503757 /nfs/dbraw/zinc/50/37/57/508503757.db2.gz VVKVCILJKMYJRQ-HNNXBMFYSA-N 1 0 360.458 2.872 20 5 FFBDRO Cc1cc(C(=O)N(CC[NH+](C)C)Cc2cccc(O)c2)ccc1[N+](=O)[O-] ZINC000157203870 508537436 /nfs/dbraw/zinc/53/74/36/508537436.db2.gz ORQYPJOYZVDQMW-UHFFFAOYSA-N 1 0 357.410 2.813 20 5 FFBDRO COc1ccc(NC(=O)CC[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cc1 ZINC000153208298 508558818 /nfs/dbraw/zinc/55/88/18/508558818.db2.gz KHTHPCCCORLNJW-UHFFFAOYSA-N 1 0 355.394 2.990 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)CCc1nccs1 ZINC000157441518 508567155 /nfs/dbraw/zinc/56/71/55/508567155.db2.gz ADVNJQDFQOSZKR-UHFFFAOYSA-N 1 0 364.427 2.563 20 5 FFBDRO COc1cccc(OCC[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000157467050 508569559 /nfs/dbraw/zinc/56/95/59/508569559.db2.gz BCBZEMWTSBWSJI-CQSZACIVSA-N 1 0 358.398 2.564 20 5 FFBDRO CC[C@H]([NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000116907591 508571148 /nfs/dbraw/zinc/57/11/48/508571148.db2.gz DIRCIRVFEVIUSO-HNNXBMFYSA-N 1 0 363.439 2.614 20 5 FFBDRO CN(C(=O)Cn1c2ccccc2c(=O)c2ccccc21)[C@H]1CCC[N@H+](C)C1 ZINC000153509740 508590361 /nfs/dbraw/zinc/59/03/61/508590361.db2.gz DDFVZOFMSMWDJI-INIZCTEOSA-N 1 0 363.461 2.707 20 5 FFBDRO C[C@@H](CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[N@@H+]1CCC[C@@H](C)C1 ZINC000153517305 508591419 /nfs/dbraw/zinc/59/14/19/508591419.db2.gz YIGWJUILVHYUKZ-KGLIPLIRSA-N 1 0 358.442 2.855 20 5 FFBDRO COCCC[NH+]1CCC(NC(=O)Nc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000153646516 508615413 /nfs/dbraw/zinc/61/54/13/508615413.db2.gz YBEXHVXOCZOUAM-UHFFFAOYSA-N 1 0 350.419 2.526 20 5 FFBDRO CN1CCC([NH+]2CCC(Nc3ncc(Cl)cc3[N+](=O)[O-])CC2)CC1 ZINC000153652351 508617187 /nfs/dbraw/zinc/61/71/87/508617187.db2.gz TUSLIFPWNGQVLY-UHFFFAOYSA-N 1 0 353.854 2.614 20 5 FFBDRO NC(=O)C1([NH2+]CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CCCCC1 ZINC000123250089 508658844 /nfs/dbraw/zinc/65/88/44/508658844.db2.gz MRHDVGUBFICQDJ-UHFFFAOYSA-N 1 0 358.398 2.570 20 5 FFBDRO C[C@@H](CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)[N@@H+]1CCC[C@H](C)C1 ZINC000135997029 508663906 /nfs/dbraw/zinc/66/39/06/508663906.db2.gz WCTKIDTYRPHQQP-GJZGRUSLSA-N 1 0 371.441 2.631 20 5 FFBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1OC ZINC000123351186 508673630 /nfs/dbraw/zinc/67/36/30/508673630.db2.gz UQPCNJFDTCBWLH-CHWSQXEVSA-N 1 0 365.430 2.557 20 5 FFBDRO C[C@H](Nc1ccc(C(=O)N2CC([NH+](C)C)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000158275925 508681903 /nfs/dbraw/zinc/68/19/03/508681903.db2.gz KEMNFHVAJHFSGW-ZDUSSCGKSA-N 1 0 369.425 2.549 20 5 FFBDRO C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000123418921 508684270 /nfs/dbraw/zinc/68/42/70/508684270.db2.gz ZECRQZLQAFJAKE-ZBFHGGJFSA-N 1 0 360.458 2.750 20 5 FFBDRO COc1ccc(OCC[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000118866842 508688578 /nfs/dbraw/zinc/68/85/78/508688578.db2.gz UQSCORGZDRERIG-CQSZACIVSA-N 1 0 358.398 2.564 20 5 FFBDRO CCCCN(C(=O)c1n[nH]cc1[N+](=O)[O-])C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000136923383 508725636 /nfs/dbraw/zinc/72/56/36/508725636.db2.gz DILBITAMCXGMCB-UHFFFAOYSA-N 1 0 351.451 2.869 20 5 FFBDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000154175370 508731230 /nfs/dbraw/zinc/73/12/30/508731230.db2.gz BOFRSAPFOFNBMG-STQMWFEESA-N 1 0 370.247 2.960 20 5 FFBDRO C[C@H]1C[C@@H](NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC000123898110 508754634 /nfs/dbraw/zinc/75/46/34/508754634.db2.gz WUGIBFBYAQTXEI-JOYOIKCWSA-N 1 0 368.231 2.712 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000137972102 508767392 /nfs/dbraw/zinc/76/73/92/508767392.db2.gz QFIAYCRGFOLWIQ-UHFFFAOYSA-N 1 0 364.446 2.523 20 5 FFBDRO C[C@@H](Cc1ccc(O)cc1)[N@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000138369701 508772381 /nfs/dbraw/zinc/77/23/81/508772381.db2.gz NTDOLWXNKPETLH-AWEZNQCLSA-N 1 0 369.421 2.753 20 5 FFBDRO COc1cc(C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000159233802 508811540 /nfs/dbraw/zinc/81/15/40/508811540.db2.gz DCFHWZOJYMIACX-INIZCTEOSA-N 1 0 357.410 2.506 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000143211327 508829633 /nfs/dbraw/zinc/82/96/33/508829633.db2.gz JEJQOKVVHPLTQG-UHFFFAOYSA-N 1 0 369.421 2.952 20 5 FFBDRO COc1cc(C[N@H+](C)C[C@H](C)O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000130737829 508838773 /nfs/dbraw/zinc/83/87/73/508838773.db2.gz XMEUUXZJKJJXCK-AWEZNQCLSA-N 1 0 360.410 2.995 20 5 FFBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CC[NH2+]C[C@H]3C)cc2[N+](=O)[O-])C1 ZINC000124567170 508852294 /nfs/dbraw/zinc/85/22/94/508852294.db2.gz DWILAGJESUTVGP-RBSFLKMASA-N 1 0 360.458 2.511 20 5 FFBDRO O=C(NCc1ccc(-n2ccnc2)nc1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000367277558 512421838 /nfs/dbraw/zinc/42/18/38/512421838.db2.gz NAVZRGZZHNXWSL-UHFFFAOYSA-N 1 0 374.360 2.654 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2noc(CN3CC[C@H](C[NH+]4CCCC4)C3)n2)cc1 ZINC000150750945 508885352 /nfs/dbraw/zinc/88/53/52/508885352.db2.gz PFNIHVAKNHJOAX-CQSZACIVSA-N 1 0 357.414 2.563 20 5 FFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC000124828431 508891263 /nfs/dbraw/zinc/89/12/63/508891263.db2.gz XTXBBTQKNCESHO-PXAZEXFGSA-N 1 0 361.373 2.774 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2nnc(CN3CC[C@@H](C[NH+]4CCCC4)C3)o2)cc1 ZINC000150783186 508892931 /nfs/dbraw/zinc/89/29/31/508892931.db2.gz GWUNIZNGLVVGFQ-AWEZNQCLSA-N 1 0 357.414 2.563 20 5 FFBDRO NC(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000120081748 508924165 /nfs/dbraw/zinc/92/41/65/508924165.db2.gz KOVACGMFHHNFJR-DGCLKSJQSA-N 1 0 360.439 2.852 20 5 FFBDRO C[NH+](C)CCN1CCC([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000150950303 508929321 /nfs/dbraw/zinc/92/93/21/508929321.db2.gz MNOXSGYOTPWEBP-IBGZPJMESA-N 1 0 360.502 2.532 20 5 FFBDRO C[NH+]1CCC(CCNC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000120133242 508935212 /nfs/dbraw/zinc/93/52/12/508935212.db2.gz LWGZPHDBVZGUTD-UHFFFAOYSA-N 1 0 362.474 2.949 20 5 FFBDRO CCC[C@H]1CN(c2cc(OC)c([N+](=O)[O-])cc2F)CC[N@@H+]1CCOC ZINC000120149336 508938834 /nfs/dbraw/zinc/93/88/34/508938834.db2.gz FEJIOHIDKRZIPV-ZDUSSCGKSA-N 1 0 355.410 2.680 20 5 FFBDRO COC(=O)c1oc([C@H](C)[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1C ZINC000125224577 508951545 /nfs/dbraw/zinc/95/15/45/508951545.db2.gz BYAIICYGMHFCGC-STQMWFEESA-N 1 0 374.397 2.925 20 5 FFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@H]2CCCS2(=O)=O)s1 ZINC000131685977 508959512 /nfs/dbraw/zinc/95/95/12/508959512.db2.gz HAZWXWFKCBBEDZ-CYBMUJFWSA-N 1 0 366.464 2.990 20 5 FFBDRO CC[C@@H]1CN(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)CC[N@@H+]1CCOC ZINC000120262001 508960789 /nfs/dbraw/zinc/96/07/89/508960789.db2.gz ZLCKVFXEPXIQAV-OAHLLOKOSA-N 1 0 364.446 2.786 20 5 FFBDRO COc1ccc([C@H]2CC[N@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)cc1 ZINC000155264419 508961511 /nfs/dbraw/zinc/96/15/11/508961511.db2.gz QBFKPTDPSLBJGI-HNNXBMFYSA-N 1 0 355.394 2.692 20 5 FFBDRO Cc1c(Br)cc(C(=O)N2[C@H](C)CN(C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000155311472 508973959 /nfs/dbraw/zinc/97/39/59/508973959.db2.gz PMBDRUPDLYWVCY-AOOOYVTPSA-N 1 0 370.247 2.830 20 5 FFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC[C@@H]1[C@H]1CNC(=O)C1 ZINC000125541719 508997132 /nfs/dbraw/zinc/99/71/32/508997132.db2.gz GURUJLDDOZSQFH-RHSMWYFYSA-N 1 0 361.442 2.873 20 5 FFBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000125574262 509001218 /nfs/dbraw/zinc/00/12/18/509001218.db2.gz IASBJYOYKRJEOA-MAUKXSAKSA-N 1 0 358.442 2.753 20 5 FFBDRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000160559710 509003063 /nfs/dbraw/zinc/00/30/63/509003063.db2.gz HOZFYDYBPGXYOY-GFCCVEGCSA-N 1 0 352.387 2.858 20 5 FFBDRO Cc1ccc(NC(=O)COc2cccc([N+](=O)[O-])c2)c(OCC[NH+](C)C)c1 ZINC000151385667 509009138 /nfs/dbraw/zinc/00/91/38/509009138.db2.gz DQQQZLZTFFAHDC-UHFFFAOYSA-N 1 0 373.409 2.861 20 5 FFBDRO C[NH+]1CCC(N(CCO)Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000155505872 509015564 /nfs/dbraw/zinc/01/55/64/509015564.db2.gz KGNAJVROJUBYDH-UHFFFAOYSA-N 1 0 359.426 2.743 20 5 FFBDRO C[C@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1)[N@H+](C)C1CC1 ZINC000120616953 509032232 /nfs/dbraw/zinc/03/22/32/509032232.db2.gz UHSLSOFOSUEXEH-SECBINFHSA-N 1 0 356.220 2.570 20 5 FFBDRO Cc1c(CC(=O)NCC[N@@H+]2CCc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000160963511 509054364 /nfs/dbraw/zinc/05/43/64/509054364.db2.gz HJAHIDFOIYMZJT-UHFFFAOYSA-N 1 0 353.422 2.620 20 5 FFBDRO O=[N+]([O-])c1ccc(NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c([N+](=O)[O-])c1 ZINC000132975672 509099110 /nfs/dbraw/zinc/09/91/10/509099110.db2.gz DVRKHSPIPJGNCH-NVXWUHKLSA-N 1 0 364.402 2.683 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(Sc2nnc(C3CC[NH2+]CC3)n2C2CC2)n1 ZINC000126629617 509104597 /nfs/dbraw/zinc/10/45/97/509104597.db2.gz POSHXARQGZEGDH-UHFFFAOYSA-N 1 0 360.443 2.843 20 5 FFBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000121007027 509108344 /nfs/dbraw/zinc/10/83/44/509108344.db2.gz AQQSGDRHZLQPAI-MFKMUULPSA-N 1 0 370.247 2.770 20 5 FFBDRO CCOC(=O)c1ccnc(NCCC[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000133194013 509129782 /nfs/dbraw/zinc/12/97/82/509129782.db2.gz GGBQNPSFTXODME-UHFFFAOYSA-N 1 0 350.419 2.700 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1SC ZINC000156224103 509146923 /nfs/dbraw/zinc/14/69/23/509146923.db2.gz SGEWQCAGXJFVFI-GHMZBOCLSA-N 1 0 353.444 2.525 20 5 FFBDRO O=C([C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000161974806 509167323 /nfs/dbraw/zinc/16/73/23/509167323.db2.gz LPQIRGBJAVLFQC-ZOCIIQOWSA-N 1 0 373.453 2.885 20 5 FFBDRO CNC(=O)c1ccc(N(CC[NH+](C)C)Cc2cccc(C)c2)c([N+](=O)[O-])c1 ZINC000162213217 509176230 /nfs/dbraw/zinc/17/62/30/509176230.db2.gz FPVPSSUTEYPUQX-UHFFFAOYSA-N 1 0 370.453 2.831 20 5 FFBDRO CCOC(=O)c1ccnc(NCC[C@@H](C)[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000182341508 509184356 /nfs/dbraw/zinc/18/43/56/509184356.db2.gz VIICSVUXXMPLKM-CYBMUJFWSA-N 1 0 350.419 2.843 20 5 FFBDRO COc1ccc(OCC[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000247957710 509199500 /nfs/dbraw/zinc/19/95/00/509199500.db2.gz FTHQDDXZLQILOV-KSSFIOAISA-N 1 0 350.415 2.609 20 5 FFBDRO O=C(NCc1ccc2c(c1)C[NH2+]C2)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000188665270 509201916 /nfs/dbraw/zinc/20/19/16/509201916.db2.gz RLCYUTJPZPVBFA-UHFFFAOYSA-N 1 0 352.394 2.702 20 5 FFBDRO Cc1nn(C)c(N2CCC(C[N@H+](C)Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000263880815 509204217 /nfs/dbraw/zinc/20/42/17/509204217.db2.gz OTCDLDHSHJNOOI-UHFFFAOYSA-N 1 0 357.458 2.985 20 5 FFBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NCc2ccc3c(c2)C[NH2+]C3)cc1OC ZINC000188675754 509206616 /nfs/dbraw/zinc/20/66/16/509206616.db2.gz UCCFPOYPDRMAEN-UHFFFAOYSA-N 1 0 371.393 2.535 20 5 FFBDRO CC[N@@H+]1CCC[C@H](NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000162384968 509214071 /nfs/dbraw/zinc/21/40/71/509214071.db2.gz NDNFWGFRLLAYQQ-LBPRGKRZSA-N 1 0 356.220 2.571 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@]3(O)CCOC3)o2)c(Cl)c1 ZINC000179028943 509231019 /nfs/dbraw/zinc/23/10/19/509231019.db2.gz KYISGHRLIQBLDA-INIZCTEOSA-N 1 0 352.774 2.749 20 5 FFBDRO COCC[N@H+](C)CCCC1CCN(c2ncc([N+](=O)[O-])cc2C)CC1 ZINC000162578716 509256795 /nfs/dbraw/zinc/25/67/95/509256795.db2.gz APGYGTKJTKZKCF-UHFFFAOYSA-N 1 0 350.463 2.873 20 5 FFBDRO COc1cc(C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)c([N+](=O)[O-])cc1OC ZINC000172843008 509267273 /nfs/dbraw/zinc/26/72/73/509267273.db2.gz MQXRSTMSANVOCH-ZDUSSCGKSA-N 1 0 365.430 2.558 20 5 FFBDRO C[C@@H]1C[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]2CCCC[C@H]12 ZINC000182509025 509277264 /nfs/dbraw/zinc/27/72/64/509277264.db2.gz DNILVSZDFQBVSC-BZPMIXESSA-N 1 0 361.398 2.773 20 5 FFBDRO COc1cccc(NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000185644318 509282162 /nfs/dbraw/zinc/28/21/62/509282162.db2.gz LQSIKEJQBMTIQD-HZPDHXFCSA-N 1 0 357.410 2.651 20 5 FFBDRO Cc1ccc(N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000266998054 509299103 /nfs/dbraw/zinc/29/91/03/509299103.db2.gz XKZKZLDYAXZYCT-UHFFFAOYSA-N 1 0 374.485 2.722 20 5 FFBDRO CCO[C@@H]1C[C@H]([N@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000248457199 509329736 /nfs/dbraw/zinc/32/97/36/509329736.db2.gz MEMCCIZYMURHED-FHLIZLRMSA-N 1 0 364.442 2.614 20 5 FFBDRO C[C@]1(C(N)=O)CCCC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000185904620 509417902 /nfs/dbraw/zinc/41/79/02/509417902.db2.gz PZVJEJFOPAPJHE-GOSISDBHSA-N 1 0 358.398 2.522 20 5 FFBDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000267276377 509422896 /nfs/dbraw/zinc/42/28/96/509422896.db2.gz UHCRAJVONBJKLG-HUUCEWRRSA-N 1 0 360.458 2.904 20 5 FFBDRO COc1ccc(CNC(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000264266495 509423295 /nfs/dbraw/zinc/42/32/95/509423295.db2.gz GFPLTOYMMXFMGG-HNNXBMFYSA-N 1 0 364.446 2.523 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N[C@](C)(C[NH3+])C3CC3)cc2[N+](=O)[O-])CC1 ZINC000236671781 509476805 /nfs/dbraw/zinc/47/68/05/509476805.db2.gz YPNBYIDENVYNBT-LJQANCHMSA-N 1 0 360.458 2.688 20 5 FFBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1cccc(OC(F)F)c1 ZINC000179575867 509520638 /nfs/dbraw/zinc/52/06/38/509520638.db2.gz HBKIRWFAJAVENU-LLVKDONJSA-N 1 0 353.325 2.709 20 5 FFBDRO C[C@@H]([NH2+]C[C@@H](O)CN1CCc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000173315896 509527037 /nfs/dbraw/zinc/52/70/37/509527037.db2.gz ONUBAVLLWQOWCN-FOIQADDNSA-N 1 0 355.438 2.665 20 5 FFBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2c(C)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC000192556571 509553338 /nfs/dbraw/zinc/55/33/38/509553338.db2.gz IDEWMDWXSPEMKQ-HZPDHXFCSA-N 1 0 363.458 2.770 20 5 FFBDRO [NH3+]CC[C@@H]1CCCCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000165909782 509588633 /nfs/dbraw/zinc/58/86/33/509588633.db2.gz UYMHCTAZBRSDCD-LBPRGKRZSA-N 1 0 356.220 2.701 20 5 FFBDRO C[C@@H]([NH2+][C@@H]1CC(=O)N(CCOc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000173443185 509601290 /nfs/dbraw/zinc/60/12/90/509601290.db2.gz PMVWGYCYEDJQHA-NVXWUHKLSA-N 1 0 369.421 2.925 20 5 FFBDRO COc1ccc(CNC(=O)C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000192756969 509629895 /nfs/dbraw/zinc/62/98/95/509629895.db2.gz SINJFOWZVHOWOJ-LJQANCHMSA-N 1 0 369.421 2.887 20 5 FFBDRO C[C@H](Nc1ccc(C(=O)N2CCC[C@@H]2C[NH3+])cc1[N+](=O)[O-])c1ccccn1 ZINC000237537428 509672159 /nfs/dbraw/zinc/67/21/59/509672159.db2.gz QRZHSYWOOXEBDE-DZGCQCFKSA-N 1 0 369.425 2.726 20 5 FFBDRO C[C@](C[NH3+])(NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CC1 ZINC000237589038 509684735 /nfs/dbraw/zinc/68/47/35/509684735.db2.gz FTPZRTCHLPSOEV-OAHLLOKOSA-N 1 0 374.363 2.659 20 5 FFBDRO COc1ccc(OCCN2CCC[C@@H]2C[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000173636571 509689782 /nfs/dbraw/zinc/68/97/82/509689782.db2.gz LEHPCZJVMVWMBI-MRXNPFEDSA-N 1 0 363.458 2.933 20 5 FFBDRO CCC[C@H]([NH2+]C[C@@H]1COC2(CCOCC2)O1)c1cccc([N+](=O)[O-])c1 ZINC000179975671 509696099 /nfs/dbraw/zinc/69/60/99/509696099.db2.gz ATUMQFLTBIXKRK-SJORKVTESA-N 1 0 350.415 2.948 20 5 FFBDRO CCC[C@H]([NH2+]C[C@H]1COC2(CCOCC2)O1)c1cccc([N+](=O)[O-])c1 ZINC000179975701 509696311 /nfs/dbraw/zinc/69/63/11/509696311.db2.gz ATUMQFLTBIXKRK-IRXDYDNUSA-N 1 0 350.415 2.948 20 5 FFBDRO CC(C)CS(=O)(=O)N1CCC([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000180020771 509713733 /nfs/dbraw/zinc/71/37/33/509713733.db2.gz ZNTDWJRVMSUUIJ-CQSZACIVSA-N 1 0 369.487 2.696 20 5 FFBDRO C[C@H]1C[C@@H]1[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000180026071 509716126 /nfs/dbraw/zinc/71/61/26/509716126.db2.gz UUZWDYLDPLRWBH-GNCDUGFZSA-N 1 0 364.833 2.793 20 5 FFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000176850985 509725210 /nfs/dbraw/zinc/72/52/10/509725210.db2.gz RIKKJQFQADYVOD-OAHLLOKOSA-N 1 0 368.437 2.914 20 5 FFBDRO C[C@H]1C[C@@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000268040709 509729620 /nfs/dbraw/zinc/72/96/20/509729620.db2.gz XYWBBGDLFRDMIF-GXSJLCMTSA-N 1 0 357.332 2.969 20 5 FFBDRO Cc1csc(Sc2ccc(C(=O)NCCC[NH3+])cc2[N+](=O)[O-])n1 ZINC000237817898 509741447 /nfs/dbraw/zinc/74/14/47/509741447.db2.gz XINUASICCTYFKB-UHFFFAOYSA-N 1 0 352.441 2.590 20 5 FFBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000268120186 509767504 /nfs/dbraw/zinc/76/75/04/509767504.db2.gz KREZYWINYIDATD-CABCVRRESA-N 1 0 352.822 2.674 20 5 FFBDRO COc1ccc(OCCN2CCC[N@@H+](C3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000173782392 509774348 /nfs/dbraw/zinc/77/43/48/509774348.db2.gz RWMQAJNOFRDOMV-UHFFFAOYSA-N 1 0 363.458 2.933 20 5 FFBDRO CC1CC[NH+](CCNC(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000176986106 509801741 /nfs/dbraw/zinc/80/17/41/509801741.db2.gz KIZXFSJBZAFWKP-UHFFFAOYSA-N 1 0 370.247 2.819 20 5 FFBDRO O=C(NCC[NH+]1CCCCC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000176986815 509801229 /nfs/dbraw/zinc/80/12/29/509801229.db2.gz MKPPKCGORPKOLF-UHFFFAOYSA-N 1 0 356.220 2.573 20 5 FFBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)[C@H]1[NH2+]CCc2ccccc21 ZINC000238022038 509801981 /nfs/dbraw/zinc/80/19/81/509801981.db2.gz MICBFKWCGFYACD-IBGZPJMESA-N 1 0 353.422 2.921 20 5 FFBDRO COCCN1CC[C@@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000264985394 509810081 /nfs/dbraw/zinc/81/00/81/509810081.db2.gz VLNOGQRGMUTFJQ-CQSZACIVSA-N 1 0 362.455 2.529 20 5 FFBDRO [NH3+]C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)C1CCCCC1 ZINC000238090885 509820349 /nfs/dbraw/zinc/82/03/49/509820349.db2.gz NVBXZYISQQBHDO-CQSZACIVSA-N 1 0 370.247 2.995 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000177054357 509841869 /nfs/dbraw/zinc/84/18/69/509841869.db2.gz SWRWURPZLPUICP-UHFFFAOYSA-N 1 0 361.373 2.604 20 5 FFBDRO COc1ccc(CN(C)C(=O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000180420705 509918656 /nfs/dbraw/zinc/91/86/56/509918656.db2.gz KYHCFGDBUVTTLP-AWEZNQCLSA-N 1 0 357.410 2.913 20 5 FFBDRO CC[NH+](CC)C[C@@H]1CCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000245465011 509951851 /nfs/dbraw/zinc/95/18/51/509951851.db2.gz YEJIIPABMGIXCV-CVEARBPZSA-N 1 0 362.474 2.894 20 5 FFBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000174130332 509961665 /nfs/dbraw/zinc/96/16/65/509961665.db2.gz HJLAHWCPXSOVQQ-MRXNPFEDSA-N 1 0 360.458 2.751 20 5 FFBDRO Cc1nc(Sc2nnc(C3CC[NH2+]CC3)n2C2CC2)ccc1[N+](=O)[O-] ZINC000268507105 509977041 /nfs/dbraw/zinc/97/70/41/509977041.db2.gz RJCYCUAZXMQNCI-UHFFFAOYSA-N 1 0 360.443 2.843 20 5 FFBDRO CC[NH+](CC)[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 ZINC000174165960 509980054 /nfs/dbraw/zinc/98/00/54/509980054.db2.gz RSHCGCLEKRYYBY-INIZCTEOSA-N 1 0 360.458 2.751 20 5 FFBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000174186678 509992463 /nfs/dbraw/zinc/99/24/63/509992463.db2.gz ARPMLADBPXKLQP-UHFFFAOYSA-N 1 0 362.430 2.704 20 5 FFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000261655575 510015071 /nfs/dbraw/zinc/01/50/71/510015071.db2.gz GQPAXMHWXSDMSF-GOSISDBHSA-N 1 0 356.426 2.924 20 5 FFBDRO Cc1ccnc(Sc2nnc([C@H]3CCC[NH2+]C3)n2C2CC2)c1[N+](=O)[O-] ZINC000265378476 510023614 /nfs/dbraw/zinc/02/36/14/510023614.db2.gz BVQNPLNPUCRASA-NSHDSACASA-N 1 0 360.443 2.843 20 5 FFBDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000180664440 510042945 /nfs/dbraw/zinc/04/29/45/510042945.db2.gz IAWRVHUJXGOLJR-UHFFFAOYSA-N 1 0 356.426 2.947 20 5 FFBDRO CN(C(=O)c1ccc(N)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000268682209 510069113 /nfs/dbraw/zinc/06/91/13/510069113.db2.gz GPLYSJFQHQXKNN-MRXNPFEDSA-N 1 0 354.410 2.524 20 5 FFBDRO Cc1ccc([C@@H](CNC(=O)c2c(N)cccc2[N+](=O)[O-])[NH+]2CCCC2)o1 ZINC000180735008 510081367 /nfs/dbraw/zinc/08/13/67/510081367.db2.gz ANEJMTJRRSGCBY-OAHLLOKOSA-N 1 0 358.398 2.645 20 5 FFBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000180780257 510105499 /nfs/dbraw/zinc/10/54/99/510105499.db2.gz RPBJIKKBVVMTKZ-VMPITWQZSA-N 1 0 366.421 2.648 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1SC ZINC000177544605 510125022 /nfs/dbraw/zinc/12/50/22/510125022.db2.gz PQXJUSPIHDIUJA-VXGBXAGGSA-N 1 0 367.471 2.928 20 5 FFBDRO CCc1n[nH]c(C(=O)NC2CC[NH+](Cc3ccccc3C)CC2)c1[N+](=O)[O-] ZINC000171400223 510132969 /nfs/dbraw/zinc/13/29/69/510132969.db2.gz ZLFGWKXQDXKZRM-UHFFFAOYSA-N 1 0 371.441 2.583 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCSC[C@H](C)C1 ZINC000190483165 510158162 /nfs/dbraw/zinc/15/81/62/510158162.db2.gz QMOUVVFHWSDZFE-GFCCVEGCSA-N 1 0 353.444 2.617 20 5 FFBDRO O=C(NCc1ccccc1[N+](=O)[O-])NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000194000672 510169186 /nfs/dbraw/zinc/16/91/86/510169186.db2.gz HMUZJVNRKHJTDO-KRWDZBQOSA-N 1 0 368.437 2.916 20 5 FFBDRO CCc1ccc([C@H]2C[NH2+]CCN2C(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000262171568 510198973 /nfs/dbraw/zinc/19/89/73/510198973.db2.gz HTXXPDJPTSJKOA-GOSISDBHSA-N 1 0 369.421 2.953 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)c1 ZINC000174664327 510238010 /nfs/dbraw/zinc/23/80/10/510238010.db2.gz OHEPXTVVXYXRKN-JKSUJKDBSA-N 1 0 350.806 2.547 20 5 FFBDRO O=[N+]([O-])c1ccccc1OCC[N@H+](C[C@H]1CCCO1)[C@H]1CCSC1 ZINC000245995773 510242201 /nfs/dbraw/zinc/24/22/01/510242201.db2.gz XNJRZFVBNBUUJQ-LSDHHAIUSA-N 1 0 352.456 2.960 20 5 FFBDRO O=C(NC[C@H]1[NH2+]CCc2ccccc21)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000262375905 510260319 /nfs/dbraw/zinc/26/03/19/510260319.db2.gz MICNFZXYKZDNGT-GOSISDBHSA-N 1 0 366.421 2.786 20 5 FFBDRO COc1ccc2oc([C@@H](C)[NH2+]C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)c(C)c2c1 ZINC000184321265 510260968 /nfs/dbraw/zinc/26/09/68/510260968.db2.gz MDVIGQAYQUULTP-TZMCWYRMSA-N 1 0 374.397 2.566 20 5 FFBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NC3CC[NH2+]CC3)cc2[N+](=O)[O-])C1 ZINC000262509762 510304430 /nfs/dbraw/zinc/30/44/30/510304430.db2.gz MMYKWYXKGBCYJN-ZIAGYGMSSA-N 1 0 360.458 2.559 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N3CC[C@@H]([NH3+])[C@@H](C)C3)cc2[N+](=O)[O-])CC1 ZINC000269284210 510323281 /nfs/dbraw/zinc/32/32/81/510323281.db2.gz RQTAHYHQRMTXDF-GOEBONIOSA-N 1 0 360.458 2.640 20 5 FFBDRO O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262652324 510352496 /nfs/dbraw/zinc/35/24/96/510352496.db2.gz VURYNAXVQIYMLV-OLZOCXBDSA-N 1 0 358.423 2.685 20 5 FFBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000269365562 510364361 /nfs/dbraw/zinc/36/43/61/510364361.db2.gz VKFZTWSXKWUKKC-UGSOOPFHSA-N 1 0 358.442 2.752 20 5 FFBDRO Cc1ccc([C@@H](C)NC(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)cc1[N+](=O)[O-] ZINC000262702203 510375429 /nfs/dbraw/zinc/37/54/29/510375429.db2.gz CLWINDLOGWMDOR-UKRRQHHQSA-N 1 0 357.414 2.515 20 5 FFBDRO C[N@H+](CCNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)C1CCCC1 ZINC000184585766 510401323 /nfs/dbraw/zinc/40/13/23/510401323.db2.gz OMQOQSDCYICBAO-UHFFFAOYSA-N 1 0 354.838 2.922 20 5 FFBDRO COC[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(F)c(F)c1 ZINC000181428450 510403541 /nfs/dbraw/zinc/40/35/41/510403541.db2.gz XVAYRNJBWIZGSY-IRXDYDNUSA-N 1 0 352.337 2.884 20 5 FFBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2cccc(O)c2)c([N+](=O)[O-])c1 ZINC000181546148 510466150 /nfs/dbraw/zinc/46/61/50/510466150.db2.gz LCSHDGXLZCJRLR-RYUDHWBXSA-N 1 0 359.382 2.987 20 5 FFBDRO CCCc1n[nH]c(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000194743675 510506819 /nfs/dbraw/zinc/50/68/19/510506819.db2.gz SJMPABXXHKAJSH-HNNXBMFYSA-N 1 0 371.441 2.522 20 5 FFBDRO C[C@@H](CC[NH+](C)C)Nc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl ZINC000266309766 510510218 /nfs/dbraw/zinc/51/02/18/510510218.db2.gz DIKZFYYTZWWCFQ-NSHDSACASA-N 1 0 365.821 2.546 20 5 FFBDRO COCC[N@@H+](Cc1ccc2c(c1)OCO2)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269678975 510510852 /nfs/dbraw/zinc/51/08/52/510510852.db2.gz XQQHLUYDKSXORD-QGZVFWFLSA-N 1 0 374.393 2.506 20 5 FFBDRO CCCc1n[nH]c(C(=O)NCC2CC[NH+](CCC(C)C)CC2)c1[N+](=O)[O-] ZINC000175171609 510515981 /nfs/dbraw/zinc/51/59/81/510515981.db2.gz KWIKOLHSZCKPDF-UHFFFAOYSA-N 1 0 365.478 2.758 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)[C@@H](C)C1 ZINC000246494921 510519179 /nfs/dbraw/zinc/51/91/79/510519179.db2.gz XMICXBFCERNSMY-BBRMVZONSA-N 1 0 369.487 2.562 20 5 FFBDRO CCC[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1F ZINC000181682783 510537885 /nfs/dbraw/zinc/53/78/85/510537885.db2.gz MTPYENGVQAPQQU-XJKSGUPXSA-N 1 0 354.357 2.561 20 5 FFBDRO O=C1OCCN1CCC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000172118454 510551402 /nfs/dbraw/zinc/55/14/02/510551402.db2.gz NEMKXNJLUMKUQX-UHFFFAOYSA-N 1 0 362.411 2.650 20 5 FFBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000172153985 510573056 /nfs/dbraw/zinc/57/30/56/510573056.db2.gz LARCQZWETCNAAC-OAHLLOKOSA-N 1 0 364.446 2.667 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@@H]2c2ccccc2Cl)c1 ZINC000246702122 510625132 /nfs/dbraw/zinc/62/51/32/510625132.db2.gz JPGQVJPDOLUNSU-CZUORRHYSA-N 1 0 350.806 2.643 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@H]2c2nc3ccccc3s2)c1 ZINC000246815875 510691650 /nfs/dbraw/zinc/69/16/50/510691650.db2.gz WVWBFBZHIOAAMK-HIFRSBDPSA-N 1 0 373.438 2.599 20 5 FFBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000246891065 510730822 /nfs/dbraw/zinc/73/08/22/510730822.db2.gz UMNYCBWUIJQIEU-GUYCJALGSA-N 1 0 367.421 2.601 20 5 FFBDRO C[C@@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CC[N@@H+]1C ZINC000182146698 510780357 /nfs/dbraw/zinc/78/03/57/510780357.db2.gz VMXLGUQQEITABK-GHMZBOCLSA-N 1 0 357.357 2.751 20 5 FFBDRO Cc1cnc([C@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C2CC2)s1 ZINC000185269503 510781932 /nfs/dbraw/zinc/78/19/32/510781932.db2.gz KCLXMAXAROGRFZ-GDBMZVCRSA-N 1 0 363.439 2.840 20 5 FFBDRO COc1cc(C(=O)N2CCC(C[NH+]3CCCC3)CC2)cc([N+](=O)[O-])c1C ZINC000191690111 510788466 /nfs/dbraw/zinc/78/84/66/510788466.db2.gz BGDCZWJZLCTRHD-UHFFFAOYSA-N 1 0 361.442 2.860 20 5 FFBDRO O=C1[C@H](N2CCC[N@@H+](C3CCCC3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000172584996 510805597 /nfs/dbraw/zinc/80/55/97/510805597.db2.gz ZJYVPODRMYJLIX-LJQANCHMSA-N 1 0 372.469 2.650 20 5 FFBDRO Cc1nc(C(C)(C)[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])sc1C ZINC000182193800 510806744 /nfs/dbraw/zinc/80/67/44/510806744.db2.gz RYJFTQWUDSRUPB-ZDUSSCGKSA-N 1 0 365.455 2.933 20 5 FFBDRO CC[N@@H+](Cc1ccc(OC)cc1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182215000 510816949 /nfs/dbraw/zinc/81/69/49/510816949.db2.gz ZEGQJCDPXCJBQH-INIZCTEOSA-N 1 0 360.410 2.865 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000247050258 510817150 /nfs/dbraw/zinc/81/71/50/510817150.db2.gz ZHNLQPAYZDKSIC-KXBFYZLASA-N 1 0 372.469 2.790 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCCN(c2ccccc2)CC1 ZINC000182219133 510819829 /nfs/dbraw/zinc/81/98/29/510819829.db2.gz OBLXXASTNBMIGX-SFHVURJKSA-N 1 0 371.437 2.547 20 5 FFBDRO C[C@@H](CCNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)[NH+]1CCCCC1 ZINC000182261895 510836677 /nfs/dbraw/zinc/83/66/77/510836677.db2.gz IURQKTHFAUTAAR-HNNXBMFYSA-N 1 0 371.441 2.775 20 5 FFBDRO COc1cc(C(=O)N[C@@H](C)C[NH+]2CCCCCC2)c([N+](=O)[O-])cc1OC ZINC000185412096 510838453 /nfs/dbraw/zinc/83/84/53/510838453.db2.gz QKTPCIWRXUNLBY-ZDUSSCGKSA-N 1 0 365.430 2.606 20 5 FFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247200944 510851100 /nfs/dbraw/zinc/85/11/00/510851100.db2.gz WDUABJKVOZKWDQ-NVXWUHKLSA-N 1 0 360.458 2.872 20 5 FFBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000247781863 510870523 /nfs/dbraw/zinc/87/05/23/510870523.db2.gz XTBUISOICGAPIQ-JKIFEVAISA-N 1 0 357.414 2.701 20 5 FFBDRO C[C@H]([NH2+]C1CCN(C(=O)c2ccoc2)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293889408 510888099 /nfs/dbraw/zinc/88/80/99/510888099.db2.gz VVJLXCODXOXEOO-LBPRGKRZSA-N 1 0 358.398 2.725 20 5 FFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000360775428 510946468 /nfs/dbraw/zinc/94/64/68/510946468.db2.gz GNSDTJYWFUZJJO-KRWDZBQOSA-N 1 0 368.437 2.940 20 5 FFBDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1SCCOC ZINC000270731430 510966569 /nfs/dbraw/zinc/96/65/69/510966569.db2.gz UNFPBUAIXUHXID-ZDUSSCGKSA-N 1 0 369.487 2.793 20 5 FFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CCCc2nn(C)cc21 ZINC000282421204 510970019 /nfs/dbraw/zinc/97/00/19/510970019.db2.gz LTKNAZFOEWYDFV-WBMJQRKESA-N 1 0 357.414 2.713 20 5 FFBDRO C[N@@H+]1CCC[C@H]2CN(c3c(Br)cncc3[N+](=O)[O-])CC[C@@H]21 ZINC000270936391 511030042 /nfs/dbraw/zinc/03/00/42/511030042.db2.gz IVNNYMPJXLZVTE-JQWIXIFHSA-N 1 0 355.236 2.673 20 5 FFBDRO C[N@@H+]1CCC[C@@H]2CN(c3c(Br)cncc3[N+](=O)[O-])CC[C@@H]21 ZINC000270936393 511030377 /nfs/dbraw/zinc/03/03/77/511030377.db2.gz IVNNYMPJXLZVTE-PWSUYJOCSA-N 1 0 355.236 2.673 20 5 FFBDRO CC(C)(CCC(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)[N+](=O)[O-] ZINC000294340243 511031946 /nfs/dbraw/zinc/03/19/46/511031946.db2.gz AOIXVCSUJIAHBW-UHFFFAOYSA-N 1 0 374.485 2.993 20 5 FFBDRO COc1cc(C(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)c([N+](=O)[O-])cc1F ZINC000297707990 511041138 /nfs/dbraw/zinc/04/11/38/511041138.db2.gz HYOLJKWHMYFYCE-LLVKDONJSA-N 1 0 353.394 2.545 20 5 FFBDRO C[C@@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)C(=O)NCCF ZINC000282615855 511047352 /nfs/dbraw/zinc/04/73/52/511047352.db2.gz IPSBOFRLUOPQBV-LLVKDONJSA-N 1 0 351.403 2.887 20 5 FFBDRO O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000294716833 511152911 /nfs/dbraw/zinc/15/29/11/511152911.db2.gz UTQNQXRTURRYCX-MRXNPFEDSA-N 1 0 369.425 2.685 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@@H](CO)c1ccccc1 ZINC000298045074 511155790 /nfs/dbraw/zinc/15/57/90/511155790.db2.gz HEJVMRZYQBOYAW-KRWDZBQOSA-N 1 0 373.409 2.597 20 5 FFBDRO Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C[NH+]3CCCCCC3)cc2)n1 ZINC000271449924 511209283 /nfs/dbraw/zinc/20/92/83/511209283.db2.gz VKDAIEFKUCZQET-UHFFFAOYSA-N 1 0 357.414 2.957 20 5 FFBDRO C[C@H](Nc1cc(N2CCCC[C@H]2CO)ncn1)c1ccc([N+](=O)[O-])cc1 ZINC000294926234 511223972 /nfs/dbraw/zinc/22/39/72/511223972.db2.gz KICLGKWRJLDAMP-BBRMVZONSA-N 1 0 357.414 2.909 20 5 FFBDRO C[C@@H]1CN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000291616622 511269280 /nfs/dbraw/zinc/26/92/80/511269280.db2.gz AJXJMKCIKOYVFY-AWEZNQCLSA-N 1 0 372.469 2.798 20 5 FFBDRO COc1cccc(C2([NH2+]CC(=O)Nc3ccc(OC)cc3[N+](=O)[O-])CC2)c1 ZINC000271728150 511303536 /nfs/dbraw/zinc/30/35/36/511303536.db2.gz RNXFCFYGTZVCMF-UHFFFAOYSA-N 1 0 371.393 2.829 20 5 FFBDRO C[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)CC(=O)N2C ZINC000271762066 511314588 /nfs/dbraw/zinc/31/45/88/511314588.db2.gz BCKLSZPBLSZGPC-CYBMUJFWSA-N 1 0 355.394 2.843 20 5 FFBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000295279728 511347109 /nfs/dbraw/zinc/34/71/09/511347109.db2.gz MMZASSDKJTWKGT-RHSMWYFYSA-N 1 0 359.426 2.643 20 5 FFBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000295279734 511347756 /nfs/dbraw/zinc/34/77/56/511347756.db2.gz MMZASSDKJTWKGT-YOEHRIQHSA-N 1 0 359.426 2.643 20 5 FFBDRO COc1cc(C(=O)NCCC[NH+](C(C)C)C(C)C)c([N+](=O)[O-])cc1F ZINC000295450622 511409149 /nfs/dbraw/zinc/40/91/49/511409149.db2.gz XWAPKZDBXWWDSN-UHFFFAOYSA-N 1 0 355.410 2.981 20 5 FFBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000272213910 511467381 /nfs/dbraw/zinc/46/73/81/511467381.db2.gz SBUYWYZAJATLRG-CYBMUJFWSA-N 1 0 358.442 2.807 20 5 FFBDRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1cc2ccccc2c2cccnc12 ZINC000363377100 511512927 /nfs/dbraw/zinc/51/29/27/511512927.db2.gz WRKNZRAVCLNKJA-IRXDYDNUSA-N 1 0 361.445 2.981 20 5 FFBDRO C[C@@H]1C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@]2(CCOC2)O1 ZINC000280623852 511537384 /nfs/dbraw/zinc/53/73/84/511537384.db2.gz WVELQSDHLRNDIV-KUHUBIRLSA-N 1 0 373.409 2.672 20 5 FFBDRO COCCN1CCCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 ZINC000299221373 511555739 /nfs/dbraw/zinc/55/57/39/511555739.db2.gz NHURFQULAOCWAE-UHFFFAOYSA-N 1 0 363.439 2.604 20 5 FFBDRO Cc1cc(OCC(=O)N2CCC([NH+]3CCCCC3)CC2)ccc1[N+](=O)[O-] ZINC000280667231 511556774 /nfs/dbraw/zinc/55/67/74/511556774.db2.gz XPLDPVFFDZYYBL-UHFFFAOYSA-N 1 0 361.442 2.759 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2noc(C[NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)n2)c1 ZINC000296076073 511610933 /nfs/dbraw/zinc/61/09/33/511610933.db2.gz GSUPFDHFISEOOW-IMJJTQAJSA-N 1 0 356.382 2.692 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2noc(C[NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCC4)n2)c1 ZINC000296076061 511611376 /nfs/dbraw/zinc/61/13/76/511611376.db2.gz GSUPFDHFISEOOW-FVQBIDKESA-N 1 0 356.382 2.692 20 5 FFBDRO CC[C@H](O)[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000299420210 511629748 /nfs/dbraw/zinc/62/97/48/511629748.db2.gz WUMPFVJDRMAMTC-CVEARBPZSA-N 1 0 365.430 2.557 20 5 FFBDRO CC1(C)[C@H]([NH2+]CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@H]2CCO[C@@H]21 ZINC000296144134 511634188 /nfs/dbraw/zinc/63/41/88/511634188.db2.gz JTZHZDILNPLYHR-KMUNFCNLSA-N 1 0 353.806 2.590 20 5 FFBDRO CC1(C)[C@H]([NH2+]CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]2CCO[C@@H]21 ZINC000296144139 511634365 /nfs/dbraw/zinc/63/43/65/511634365.db2.gz JTZHZDILNPLYHR-VQISRLSMSA-N 1 0 353.806 2.590 20 5 FFBDRO O=C1Nc2ccccc2[C@@]12CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C2 ZINC000365794477 511656806 /nfs/dbraw/zinc/65/68/06/511656806.db2.gz JKOBTSOBYCBXQA-SFHVURJKSA-N 1 0 368.349 2.599 20 5 FFBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@H](OCc2ccncc2)C1 ZINC000280951467 511664060 /nfs/dbraw/zinc/66/40/60/511664060.db2.gz IVEPHAMBGSWYJI-ZBFHGGJFSA-N 1 0 370.409 2.608 20 5 FFBDRO COC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000292694339 511688565 /nfs/dbraw/zinc/68/85/65/511688565.db2.gz BSPGCOYBXNANFI-LRSLKPCPSA-N 1 0 374.437 2.898 20 5 FFBDRO O=C(CC[N@@H+]1CC[C@@H](OCc2ccncc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000281043396 511699163 /nfs/dbraw/zinc/69/91/63/511699163.db2.gz QEYIEJWWPNPIKL-MRXNPFEDSA-N 1 0 370.409 2.610 20 5 FFBDRO C[N@@H+]1CC[C@@H]2OCCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)[C@H]2C1 ZINC000284521963 511757157 /nfs/dbraw/zinc/75/71/57/511757157.db2.gz FPXOQCPTWFDTIP-HKUYNNGSSA-N 1 0 357.410 2.760 20 5 FFBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+][C@@H]1CCCc2c1cnn2CCO)C1CC1 ZINC000363832447 511794897 /nfs/dbraw/zinc/79/48/97/511794897.db2.gz SDASAEZJXMNTAY-QZTJIDSGSA-N 1 0 370.453 2.772 20 5 FFBDRO CNc1ccc(-c2nc([C@H]3C[N@@H+]4CCC[C@]4(C)CO3)no2)cc1[N+](=O)[O-] ZINC000350389709 511799197 /nfs/dbraw/zinc/79/91/97/511799197.db2.gz MDCYXRGYSAKSPY-RHSMWYFYSA-N 1 0 359.386 2.612 20 5 FFBDRO COc1c(-c2nc([C@H]3C[N@@H+]4CCC[C@@]4(C)CO3)no2)cccc1[N+](=O)[O-] ZINC000350402006 511802319 /nfs/dbraw/zinc/80/23/19/511802319.db2.gz RRQDZJNPNZZUDP-DYVFJYSZSA-N 1 0 360.370 2.579 20 5 FFBDRO C[N@@H+]1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cn2)[C@H]1c1cccs1 ZINC000366141312 511864481 /nfs/dbraw/zinc/86/44/81/511864481.db2.gz BHVPSNVEHBNFQX-WBMJQRKESA-N 1 0 360.439 2.864 20 5 FFBDRO CCOc1ccc([C@H](C)[NH2+]CCCOCCOCCOC)cc1[N+](=O)[O-] ZINC000274537418 511867489 /nfs/dbraw/zinc/86/74/89/511867489.db2.gz BKHRQIOSESGAHR-HNNXBMFYSA-N 1 0 370.446 2.714 20 5 FFBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)CCOc2cc(C)ccc2[N+](=O)[O-])C1 ZINC000281666330 511925091 /nfs/dbraw/zinc/92/50/91/511925091.db2.gz SWWUYYAWKRZGKG-MRXNPFEDSA-N 1 0 363.458 2.862 20 5 FFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccc(N2CCOCC2)n1 ZINC000274780450 511940395 /nfs/dbraw/zinc/94/03/95/511940395.db2.gz KRZBYACLWUSTQI-INIZCTEOSA-N 1 0 370.453 2.937 20 5 FFBDRO Cc1c([C@@H](C)[NH2+]Cc2cccc(N3CCOCC3)n2)cccc1[N+](=O)[O-] ZINC000274821749 511953063 /nfs/dbraw/zinc/95/30/63/511953063.db2.gz YKVWKSVGUSKTJS-OAHLLOKOSA-N 1 0 356.426 2.986 20 5 FFBDRO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@H+](C[C@H]4CCCCO4)CC3)nc2c1 ZINC000274824556 511954354 /nfs/dbraw/zinc/95/43/54/511954354.db2.gz KQJHGHPFOOBCLE-OAHLLOKOSA-N 1 0 359.430 2.552 20 5 FFBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N(C)CCC[NH+]2CCCC2)cc1OC ZINC000281815098 511976654 /nfs/dbraw/zinc/97/66/54/511976654.db2.gz VDSROGLCBALAOX-UHFFFAOYSA-N 1 0 365.430 2.560 20 5 FFBDRO Cc1c(NC(=O)NC[C@@H]2CC[N@@H+](C)C2)cc(Br)cc1[N+](=O)[O-] ZINC000297099878 512019449 /nfs/dbraw/zinc/01/94/49/512019449.db2.gz MDYSWWYFOJPHBM-JTQLQIEISA-N 1 0 371.235 2.739 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H](c2n[nH]cc2NC(C)=O)C1 ZINC000366605895 512101006 /nfs/dbraw/zinc/10/10/06/512101006.db2.gz DTLYXLFDOQBFTQ-CQSZACIVSA-N 1 0 373.413 2.665 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(CC(=O)NCC(C)(C)[NH+]2CCCCC2)c1F ZINC000411140422 512486105 /nfs/dbraw/zinc/48/61/05/512486105.db2.gz DHUPTNFNEIZTBS-UHFFFAOYSA-N 1 0 367.421 2.666 20 5 FFBDRO Cc1c(NC(=O)[C@@H](C)N2CCC3(CCC[N@@H+]3C)CC2)cccc1[N+](=O)[O-] ZINC000371689984 512528652 /nfs/dbraw/zinc/52/86/52/512528652.db2.gz UQUQRPYTICISQF-OAHLLOKOSA-N 1 0 360.458 2.790 20 5 FFBDRO O=c1[nH]c2ccccc2cc1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369680960 512551169 /nfs/dbraw/zinc/55/11/69/512551169.db2.gz GNFIQKZTUYTZEK-UHFFFAOYSA-N 1 0 353.382 2.882 20 5 FFBDRO O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000369768930 512599305 /nfs/dbraw/zinc/59/93/05/512599305.db2.gz YOFGZWLECGFTMD-MAUKXSAKSA-N 1 0 372.469 2.799 20 5 FFBDRO C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)CC[N@@H+]1Cc1ccccc1 ZINC000372014420 512678958 /nfs/dbraw/zinc/67/89/58/512678958.db2.gz YCBGZJWMYHDXRX-HNNXBMFYSA-N 1 0 354.410 2.726 20 5 FFBDRO COc1cc(C(=O)N2CCCC3(CC[NH+](C)CC3)C2)cc([N+](=O)[O-])c1C ZINC000374151916 512679844 /nfs/dbraw/zinc/67/98/44/512679844.db2.gz STPLLCCANZHXIR-UHFFFAOYSA-N 1 0 361.442 2.860 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(c2c[nH]cn2)CC1 ZINC000374210100 512708014 /nfs/dbraw/zinc/70/80/14/512708014.db2.gz FDSZNGCIYJYBHE-UHFFFAOYSA-N 1 0 357.414 2.835 20 5 FFBDRO COC(=O)c1cc(C)nc(N2CCCC[C@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000376207066 512709712 /nfs/dbraw/zinc/70/97/12/512709712.db2.gz BFCGZUWDBOWWEK-AWEZNQCLSA-N 1 0 362.430 2.540 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC(=O)N[C@@H]1CCOc2ccccc21 ZINC000374337016 512775466 /nfs/dbraw/zinc/77/54/66/512775466.db2.gz KFGCULCSEVKJAO-QGZVFWFLSA-N 1 0 355.394 2.633 20 5 FFBDRO COC[C@@H]1CCCC[N@@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000376370618 512788626 /nfs/dbraw/zinc/78/86/26/512788626.db2.gz RJSLPWOVFINBLA-UONOGXRCSA-N 1 0 365.430 2.679 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@@H](CO)CC(C)(C)C ZINC000411788692 512812115 /nfs/dbraw/zinc/81/21/15/512812115.db2.gz GZYVMUKJVFDYBO-CQSZACIVSA-N 1 0 367.446 2.661 20 5 FFBDRO CO[C@H]1c2ccccc2C[C@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000411898379 512867229 /nfs/dbraw/zinc/86/72/29/512867229.db2.gz YZQNGQPRKZBJRO-MJGOQNOKSA-N 1 0 355.394 2.744 20 5 FFBDRO CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1N)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000383248760 512880460 /nfs/dbraw/zinc/88/04/60/512880460.db2.gz AHYPWXZDTOJNNW-HNNXBMFYSA-N 1 0 372.400 2.663 20 5 FFBDRO C[C@@H]1CN(c2nc3ccccc3cc2[N+](=O)[O-])CC[C@H]1[NH+]1CCN(C)CC1 ZINC000370446381 512939433 /nfs/dbraw/zinc/93/94/33/512939433.db2.gz CYYYSMVSIASOJN-CRAIPNDOSA-N 1 0 369.469 2.605 20 5 FFBDRO Cn1cnc([N+](=O)[O-])c1CN1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000368446080 512952392 /nfs/dbraw/zinc/95/23/92/512952392.db2.gz SPJJJDWQQMRIQQ-ZWKOTPCHSA-N 1 0 369.469 2.815 20 5 FFBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000372616824 512971148 /nfs/dbraw/zinc/97/11/48/512971148.db2.gz FJLPECHTZNHDEG-OCCSQVGLSA-N 1 0 366.849 2.745 20 5 FFBDRO CC(=O)c1cc(NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000368542256 512993007 /nfs/dbraw/zinc/99/30/07/512993007.db2.gz CKACEVGSRKPSSH-QZTJIDSGSA-N 1 0 369.421 2.845 20 5 FFBDRO C[C@H](NC(=O)c1ccc([N+](=O)[O-])cn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000374881057 513052641 /nfs/dbraw/zinc/05/26/41/513052641.db2.gz VYDIYBQKKOSPFG-GOEBONIOSA-N 1 0 354.410 2.630 20 5 FFBDRO CC(C)c1n[nH]c(C(=O)NC[C@H](C)[N@@H+]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000433695933 513129587 /nfs/dbraw/zinc/12/95/87/513129587.db2.gz ZQABFBNXWURVLL-ZDUSSCGKSA-N 1 0 371.441 2.618 20 5 FFBDRO Cc1cc(NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)ncc1[N+](=O)[O-] ZINC000428666158 513157747 /nfs/dbraw/zinc/15/77/47/513157747.db2.gz GKTGDBHBXUSROZ-MRXNPFEDSA-N 1 0 358.467 2.750 20 5 FFBDRO Cc1nc(NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000428672348 513160200 /nfs/dbraw/zinc/16/02/00/513160200.db2.gz XPYMLELGBRQATJ-MRXNPFEDSA-N 1 0 358.467 2.750 20 5 FFBDRO C[C@H]1CN(c2nccc3c2cccc3[N+](=O)[O-])CC[C@H]1[NH+]1CCN(C)CC1 ZINC000450411860 513182738 /nfs/dbraw/zinc/18/27/38/513182738.db2.gz OGXLDJGAZZZFAD-MAUKXSAKSA-N 1 0 369.469 2.605 20 5 FFBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000417759452 513198028 /nfs/dbraw/zinc/19/80/28/513198028.db2.gz DRRUQFKYSOIGOR-IAGOWNOFSA-N 1 0 360.458 2.701 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CCC[NH+]1CCCC1 ZINC000439869417 513199836 /nfs/dbraw/zinc/19/98/36/513199836.db2.gz JJWLVKHVPLDUIQ-UHFFFAOYSA-N 1 0 350.419 2.943 20 5 FFBDRO C[C@H](CO)[N@@H+]1CCCN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CC1 ZINC000450473248 513210888 /nfs/dbraw/zinc/21/08/88/513210888.db2.gz HCESENCPFFJIIK-CYBMUJFWSA-N 1 0 362.455 2.611 20 5 FFBDRO Cc1ccc([C@H](C)NC(=O)N2CCC(OCCC[NH3+])CC2)cc1[N+](=O)[O-] ZINC000417821683 513221570 /nfs/dbraw/zinc/22/15/70/513221570.db2.gz DRMPKUGRUWBUEE-AWEZNQCLSA-N 1 0 364.446 2.504 20 5 FFBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CCC[N@H+]2CCCO)c(Br)c1 ZINC000450589179 513264307 /nfs/dbraw/zinc/26/43/07/513264307.db2.gz CEXOBVOPOAKBKQ-LBPRGKRZSA-N 1 0 358.236 2.616 20 5 FFBDRO CC(C)N(CC[NH+](C)C)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000440217474 513275473 /nfs/dbraw/zinc/27/54/73/513275473.db2.gz PAJFHGRVMKDEGR-UHFFFAOYSA-N 1 0 350.463 2.899 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000421568239 513311134 /nfs/dbraw/zinc/31/11/34/513311134.db2.gz ZUFHYNHPMLJQJF-OAHLLOKOSA-N 1 0 361.442 2.537 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCc2ccc([C@H](C)[NH3+])cc2)c1C ZINC000440420227 513317417 /nfs/dbraw/zinc/31/74/17/513317417.db2.gz LVVSWAIPMXXLOJ-ZDUSSCGKSA-N 1 0 363.439 2.710 20 5 FFBDRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000417995083 513322669 /nfs/dbraw/zinc/32/26/69/513322669.db2.gz RIZBMDRDJBZLFG-BXUZGUMPSA-N 1 0 354.838 2.702 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1Cc2cccc(O)c2C1 ZINC000429320139 513339991 /nfs/dbraw/zinc/33/99/91/513339991.db2.gz ATCUYIUTZXGKRH-CQSZACIVSA-N 1 0 355.394 2.694 20 5 FFBDRO Cc1c(NC(=O)N[C@H]2CC[NH2+]C[C@@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC000415651819 513363085 /nfs/dbraw/zinc/36/30/85/513363085.db2.gz KSYSGXXFWRNLAJ-KWQFWETISA-N 1 0 371.235 2.785 20 5 FFBDRO [NH3+]CCCN(CC1CCCC1)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000418085736 513367083 /nfs/dbraw/zinc/36/70/83/513367083.db2.gz WLZDBRJBORLCFT-UHFFFAOYSA-N 1 0 374.445 2.522 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000421704665 513376624 /nfs/dbraw/zinc/37/66/24/513376624.db2.gz PJQANXNNQIGJQR-DGCLKSJQSA-N 1 0 355.822 2.568 20 5 FFBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000421708131 513381490 /nfs/dbraw/zinc/38/14/90/513381490.db2.gz ZFRPSHPTCFBISW-INIZCTEOSA-N 1 0 363.461 2.707 20 5 FFBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000421711319 513382373 /nfs/dbraw/zinc/38/23/73/513382373.db2.gz OJWHZOZYBYRMBQ-MRVPVSSYSA-N 1 0 362.249 2.585 20 5 FFBDRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415699478 513387151 /nfs/dbraw/zinc/38/71/51/513387151.db2.gz IYUFUABNZGLNHL-RNCFNFMXSA-N 1 0 371.235 2.996 20 5 FFBDRO CCOc1cc(C[N@H+](C)CCN2C[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000434695833 513396485 /nfs/dbraw/zinc/39/64/85/513396485.db2.gz VFRHYJLWOPJTPK-GASCZTMLSA-N 1 0 351.447 2.535 20 5 FFBDRO Cc1cc(N[C@@H]2CCO[C@@H](c3nccn3C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000450947090 513419798 /nfs/dbraw/zinc/41/97/98/513419798.db2.gz AZJSZMFNLJGMHB-FZKQIMNGSA-N 1 0 367.409 2.939 20 5 FFBDRO CCN1CC[NH+](C[C@H](C)CNc2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413085452 513434860 /nfs/dbraw/zinc/43/48/60/513434860.db2.gz WEPYSDADGGXABC-OAHLLOKOSA-N 1 0 357.458 2.829 20 5 FFBDRO [NH3+][C@H]1CCCCCC[C@@H]1C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000429741227 513456037 /nfs/dbraw/zinc/45/60/37/513456037.db2.gz HACYVKKKVQIEDB-HOTGVXAUSA-N 1 0 360.458 2.541 20 5 FFBDRO COc1ccc(-c2ccc(C[N@@H+]3CC[C@]4(CNC(=O)C4)C3)o2)c([N+](=O)[O-])c1 ZINC000435048430 513498088 /nfs/dbraw/zinc/49/80/88/513498088.db2.gz AMLSOBYTJFPOSE-IBGZPJMESA-N 1 0 371.393 2.575 20 5 FFBDRO C[NH+](C)[C@H]1CCc2cc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)ccc21 ZINC000451088791 513510554 /nfs/dbraw/zinc/51/05/54/513510554.db2.gz RBWMRJOGBPPUEF-KRWDZBQOSA-N 1 0 361.423 2.945 20 5 FFBDRO C[NH+](C)CCN(Cc1ccc(F)cc1F)c1ncc([N+](=O)[O-])cc1F ZINC000413192052 513510913 /nfs/dbraw/zinc/51/09/13/513510913.db2.gz MNGILQKAJXHQAA-UHFFFAOYSA-N 1 0 354.332 2.975 20 5 FFBDRO CN(C(=O)C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)C1CCCCC1 ZINC000447587029 513515330 /nfs/dbraw/zinc/51/53/30/513515330.db2.gz OEZGNTNSYBAUER-JKSUJKDBSA-N 1 0 363.462 2.656 20 5 FFBDRO C[NH2+]Cc1ccc(NC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000415984848 513517050 /nfs/dbraw/zinc/51/70/50/513517050.db2.gz QXAQLNUGVBMYAZ-UHFFFAOYSA-N 1 0 356.382 2.741 20 5 FFBDRO C[C@H]([NH2+]CC(=O)Nc1ccc2c(c1)OCCO2)c1ccc([N+](=O)[O-])cc1 ZINC000451099527 513520406 /nfs/dbraw/zinc/52/04/06/513520406.db2.gz LVVURNQHUHDQBS-LBPRGKRZSA-N 1 0 357.366 2.655 20 5 FFBDRO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000418476518 513525598 /nfs/dbraw/zinc/52/55/98/513525598.db2.gz ABEVHDRZKPPXJV-BDQJQXKSSA-N 1 0 358.442 2.569 20 5 FFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](C2CCOCC2)C2(CO)CCC2)c(F)c1 ZINC000425371054 513533635 /nfs/dbraw/zinc/53/36/35/513533635.db2.gz KIKDTHNFMLIFDQ-QGZVFWFLSA-N 1 0 352.406 2.781 20 5 FFBDRO COc1cc(CN2CCC[C@@H]([C@H](C)[NH3+])C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000435372742 513567476 /nfs/dbraw/zinc/56/74/76/513567476.db2.gz CDEAVCXIKUJYMR-NWDGAFQWSA-N 1 0 373.400 2.807 20 5 FFBDRO C[C@@H](C[NH+]1CCCCC1)Nc1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000447807175 513576429 /nfs/dbraw/zinc/57/64/29/513576429.db2.gz QHCFQLMAPRQVRJ-INIZCTEOSA-N 1 0 362.474 2.713 20 5 FFBDRO COc1cc(CN2CC[C@H]3CC[C@@H](C2)[NH2+]3)c([N+](=O)[O-])cc1OC(F)F ZINC000430572285 513691600 /nfs/dbraw/zinc/69/16/00/513691600.db2.gz FFRUUKUQHNTIHQ-NEPJUHHUSA-N 1 0 357.357 2.531 20 5 FFBDRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000418993581 513710076 /nfs/dbraw/zinc/71/00/76/513710076.db2.gz HCHVNPXWVHKTED-UONOGXRCSA-N 1 0 374.416 2.687 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCC[C@@H]3[C@H]3CCC[C@H]3O)n2)c1 ZINC000451420464 513739746 /nfs/dbraw/zinc/73/97/46/513739746.db2.gz PAHHYBSWNYBGRH-BZUAXINKSA-N 1 0 358.398 2.770 20 5 FFBDRO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000430824355 513758552 /nfs/dbraw/zinc/75/85/52/513758552.db2.gz WKUZRPNBHDXGQU-QAPCUYQASA-N 1 0 363.458 2.990 20 5 FFBDRO Cc1cc(S(=O)(=O)N(CC[NH+](C)C)C2CCCC2)c(C)cc1[N+](=O)[O-] ZINC000416429083 513767847 /nfs/dbraw/zinc/76/78/47/513767847.db2.gz XEBDDAQNEAGBDT-UHFFFAOYSA-N 1 0 369.487 2.707 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1[C@H](C)[C@@H](OC)C1(C)C ZINC000451491790 513786477 /nfs/dbraw/zinc/78/64/77/513786477.db2.gz CCCHZTGAAHJYER-YMRXKLBXSA-N 1 0 365.430 2.581 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H]1C[C@](C)(OC)C1(C)C ZINC000451496352 513788893 /nfs/dbraw/zinc/78/88/93/513788893.db2.gz UMHMIXNKTMLNJM-YJBOKZPZSA-N 1 0 365.430 2.725 20 5 FFBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2[C@@H](C)[C@H](OC)C2(C)C)c([N+](=O)[O-])c1 ZINC000451502474 513794279 /nfs/dbraw/zinc/79/42/79/513794279.db2.gz PXCNBQCXMLHESJ-CJTUPEFNSA-N 1 0 365.430 2.580 20 5 FFBDRO CC(C)C[N@@H+]1CCO[C@H](CNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000436272812 513814509 /nfs/dbraw/zinc/81/45/09/513814509.db2.gz IDMSGVPFYXLDIV-LLVKDONJSA-N 1 0 362.352 2.777 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](C[C@@H]3CCCS(=O)(=O)C3)C2)cc1 ZINC000451551215 513827460 /nfs/dbraw/zinc/82/74/60/513827460.db2.gz TWGUDNAGOYWUIQ-HOCLYGCPSA-N 1 0 352.456 2.599 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](C[C@@H](O)COCC(F)(F)F)C2)cc1 ZINC000451554151 513830539 /nfs/dbraw/zinc/83/05/39/513830539.db2.gz ZKCUFNCSFVKVHZ-DZGCQCFKSA-N 1 0 362.348 2.714 20 5 FFBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000436337503 513831946 /nfs/dbraw/zinc/83/19/46/513831946.db2.gz FKJQFKANFNDZAI-CYBMUJFWSA-N 1 0 367.424 2.987 20 5 FFBDRO C[C@H](CNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)[N@@H+]1CCCC[C@H]1C ZINC000448697171 513850719 /nfs/dbraw/zinc/85/07/19/513850719.db2.gz LFKBBLCFFQQHBF-HUUCEWRRSA-N 1 0 361.442 2.937 20 5 FFBDRO O=C(c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000436426240 513851652 /nfs/dbraw/zinc/85/16/52/513851652.db2.gz BIMBCKGJDDAMOA-CYBMUJFWSA-N 1 0 365.408 2.741 20 5 FFBDRO C[NH+](C)CCOc1ccc(NC(=O)Cc2cccc([N+](=O)[O-])c2)c(F)c1 ZINC000413901719 513872285 /nfs/dbraw/zinc/87/22/85/513872285.db2.gz NKMPIQQJZHUUEO-UHFFFAOYSA-N 1 0 361.373 2.856 20 5 FFBDRO CCOc1cc(C(=O)N2c3ccccc3C[C@H]2C[NH3+])c([N+](=O)[O-])cc1OC ZINC000422624603 513878484 /nfs/dbraw/zinc/87/84/84/513878484.db2.gz CCMNEGMZFWSEFR-ZDUSSCGKSA-N 1 0 371.393 2.532 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N2c3ccccc3C[C@H]2C[NH3+])cc1SC ZINC000422630951 513882322 /nfs/dbraw/zinc/88/23/22/513882322.db2.gz ZORXMBQCTANDHT-LBPRGKRZSA-N 1 0 373.434 2.856 20 5 FFBDRO COc1ccncc1CNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000431459680 513902906 /nfs/dbraw/zinc/90/29/06/513902906.db2.gz SJXNNXJQAXVXIK-UHFFFAOYSA-N 1 0 350.762 2.651 20 5 FFBDRO C[C@@H]1CCCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1C[NH3+] ZINC000422846609 513949862 /nfs/dbraw/zinc/94/98/62/513949862.db2.gz FTNGUIYYALXGMR-ZWNOBZJWSA-N 1 0 357.863 2.926 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](O)CN1CCc2ccccc2C1 ZINC000449071327 514059555 /nfs/dbraw/zinc/05/95/55/514059555.db2.gz AZEKDWPYHWUQOF-OXJNMPFZSA-N 1 0 369.465 2.535 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccnc1N1CCOCC1 ZINC000449078046 514064015 /nfs/dbraw/zinc/06/40/15/514064015.db2.gz TZYFARFBWJJVHV-OAHLLOKOSA-N 1 0 356.426 2.547 20 5 FFBDRO [NH3+]Cc1cn([C@H]2CCCN(c3c(Cl)cc(Cl)cc3[N+](=O)[O-])C2)nn1 ZINC000420277248 514068460 /nfs/dbraw/zinc/06/84/60/514068460.db2.gz HQIFAWKMQMEGRM-NSHDSACASA-N 1 0 371.228 2.793 20 5 FFBDRO COc1cccc(N2C[C@@H]([NH2+][C@H](C)Cc3ccccc3[N+](=O)[O-])CC2=O)c1 ZINC000449110260 514075967 /nfs/dbraw/zinc/07/59/67/514075967.db2.gz BRRWLFVNNSTCAO-ZBFHGGJFSA-N 1 0 369.421 2.930 20 5 FFBDRO CC1(C)CCC[NH2+][C@H]1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000423226386 514084589 /nfs/dbraw/zinc/08/45/89/514084589.db2.gz QNDFRCJDSNDDQW-KRWDZBQOSA-N 1 0 361.442 2.743 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000427018798 514092401 /nfs/dbraw/zinc/09/24/01/514092401.db2.gz CWSZJGHFBXHKNP-SJLPKXTDSA-N 1 0 355.394 2.779 20 5 FFBDRO [NH3+][C@H]1CCO[C@@H](C2CCN(Cc3ccc(Cl)cc3[N+](=O)[O-])CC2)C1 ZINC000420391075 514126457 /nfs/dbraw/zinc/12/64/57/514126457.db2.gz NXLKOSPLNCTJRR-DOTOQJQBSA-N 1 0 353.850 2.967 20 5 FFBDRO COC(=O)[C@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])C[C@@H]1c1ccccc1 ZINC000452005159 514129746 /nfs/dbraw/zinc/12/97/46/514129746.db2.gz LQKWGCLBVUYQAA-SJORKVTESA-N 1 0 370.405 2.862 20 5 FFBDRO O=C1C[C@@H](C[NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CN1 ZINC000414484165 514145194 /nfs/dbraw/zinc/14/51/94/514145194.db2.gz NWBXWDFMGURHRR-ZDUSSCGKSA-N 1 0 359.357 2.752 20 5 FFBDRO [NH3+]C1(CNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)CCC1 ZINC000423515874 514157126 /nfs/dbraw/zinc/15/71/26/514157126.db2.gz VYZWQSZOAHCKCG-UHFFFAOYSA-N 1 0 357.360 2.571 20 5 FFBDRO CC1(CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000423515599 514157569 /nfs/dbraw/zinc/15/75/69/514157569.db2.gz FUBGFKDRNYCQHX-UHFFFAOYSA-N 1 0 357.863 2.846 20 5 FFBDRO CC[N@H+](CCNC(=O)c1cccc([N+](=O)[O-])c1NC)CCC(F)(F)F ZINC000427258336 514165304 /nfs/dbraw/zinc/16/53/04/514165304.db2.gz SKFKZOXOKVQZRY-UHFFFAOYSA-N 1 0 362.352 2.641 20 5 FFBDRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000423597243 514178582 /nfs/dbraw/zinc/17/85/82/514178582.db2.gz UBFNRXDWQCYUOU-MEDUHNTESA-N 1 0 353.397 2.548 20 5 FFBDRO COC(=O)[C@@]1(C)CCC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000414563246 514182710 /nfs/dbraw/zinc/18/27/10/514182710.db2.gz VVMLGXHCRAQVRJ-IBGZPJMESA-N 1 0 372.425 2.770 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+]CC(C)(C)c2cccnc2)cc1[N+](=O)[O-] ZINC000414566006 514183243 /nfs/dbraw/zinc/18/32/43/514183243.db2.gz ZYQIDPUJZTUTKJ-UHFFFAOYSA-N 1 0 373.409 2.609 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H]3CCCN3CCCO)o2)cc1 ZINC000449390471 514191055 /nfs/dbraw/zinc/19/10/55/514191055.db2.gz WFDPOEKBVPIVRO-KRWDZBQOSA-N 1 0 359.426 2.791 20 5 FFBDRO NC(=O)c1cccc([N+](=O)[O-])c1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000420583338 514191626 /nfs/dbraw/zinc/19/16/26/514191626.db2.gz KPQCDGYTYBNXGJ-HNNXBMFYSA-N 1 0 360.458 2.786 20 5 FFBDRO NC(=O)c1cccc([N+](=O)[O-])c1NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000420588355 514193457 /nfs/dbraw/zinc/19/34/57/514193457.db2.gz PYORZQGHOXYKGQ-OAHLLOKOSA-N 1 0 358.398 2.926 20 5 FFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@@H]2CCCN(CCCO)C2)o1 ZINC000449398520 514197703 /nfs/dbraw/zinc/19/77/03/514197703.db2.gz VHMZHCKLDVEBIJ-OAHLLOKOSA-N 1 0 359.426 2.791 20 5 FFBDRO CN(C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H]1C[NH+]2CCC1CC2 ZINC000437657021 514203661 /nfs/dbraw/zinc/20/36/61/514203661.db2.gz AKBDRTQFKVZMAP-CQSZACIVSA-N 1 0 357.332 2.780 20 5 FFBDRO O=C(c1cnn([C@H]2CCC[NH2+]C2)c1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000423721612 514211674 /nfs/dbraw/zinc/21/16/74/514211674.db2.gz IWDHVOJSOXBKOS-SFHVURJKSA-N 1 0 369.425 2.521 20 5 FFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]([C@@H](CO)C1CC1)C1CC1 ZINC000449503546 514231392 /nfs/dbraw/zinc/23/13/92/514231392.db2.gz IFGRFAQTPDCFMB-JLBUNGTFSA-N 1 0 361.442 2.699 20 5 FFBDRO CCC1(C[NH2+]Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])COC1 ZINC000449596536 514265915 /nfs/dbraw/zinc/26/59/15/514265915.db2.gz BTEUFBLABKGYBH-UHFFFAOYSA-N 1 0 360.357 2.764 20 5 FFBDRO CC[C@@H]([NH3+])CNC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(OC)cc1 ZINC000449606472 514270200 /nfs/dbraw/zinc/27/02/00/514270200.db2.gz RBNOUJVYUIVTAH-GFCCVEGCSA-N 1 0 359.382 2.863 20 5 FFBDRO CCOc1cc(NC(=O)N(C)[C@H](C[NH3+])C2CC2)c([N+](=O)[O-])cc1OCC ZINC000414751441 514273927 /nfs/dbraw/zinc/27/39/27/514273927.db2.gz ALCVXCYCFOXYFP-CQSZACIVSA-N 1 0 366.418 2.593 20 5 FFBDRO C[C@@]1(F)C[NH2+]CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000414767408 514281891 /nfs/dbraw/zinc/28/18/91/514281891.db2.gz FZOVRJPVBKNZIK-MRXNPFEDSA-N 1 0 350.419 2.852 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000449698702 514312124 /nfs/dbraw/zinc/31/21/24/514312124.db2.gz OLDVXLPXOGKAEE-IINYFYTJSA-N 1 0 355.822 2.520 20 5 FFBDRO [NH3+]C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)C1CCCC1 ZINC000423972072 514315781 /nfs/dbraw/zinc/31/57/81/514315781.db2.gz ZGBKXDLNLJZQDY-AWEZNQCLSA-N 1 0 370.247 2.534 20 5 FFBDRO C[C@@H]1CN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C[C@@]1(C)C[NH3+] ZINC000423976713 514318630 /nfs/dbraw/zinc/31/86/30/514318630.db2.gz RRWYUETUAQIHLU-MEBBXXQBSA-N 1 0 357.863 2.784 20 5 FFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000424051229 514359394 /nfs/dbraw/zinc/35/93/94/514359394.db2.gz INGIGPXODIXJCV-RFGFWPKPSA-N 1 0 351.472 2.907 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000444909728 514366378 /nfs/dbraw/zinc/36/63/78/514366378.db2.gz ZIDPMVZZIGIGJF-CHWSQXEVSA-N 1 0 350.419 2.988 20 5 FFBDRO C[C@@H]1CCCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)[C@@H]1C[NH3+] ZINC000414954195 514374019 /nfs/dbraw/zinc/37/40/19/514374019.db2.gz SJIARNNCLZDHRD-BXKDBHETSA-N 1 0 358.345 2.787 20 5 FFBDRO CN1CC[NH2+]C[C@@H]1CNCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000414966835 514379614 /nfs/dbraw/zinc/37/96/14/514379614.db2.gz ANGWDKUAPJGLKT-MRXNPFEDSA-N 1 0 374.416 2.519 20 5 FFBDRO COc1cc(C[N@@H+]2C[C@@H](C)C[C@H](CO)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000420944449 514392814 /nfs/dbraw/zinc/39/28/14/514392814.db2.gz QVAOGTRLRVIJRA-QWRGUYRKSA-N 1 0 360.357 2.655 20 5 FFBDRO C[N@H+](CCNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCCCC1 ZINC000445036375 514393291 /nfs/dbraw/zinc/39/32/91/514393291.db2.gz UFXQUTAGAFXBSD-UHFFFAOYSA-N 1 0 374.445 2.535 20 5 FFBDRO CCc1ccccc1[C@H]([NH3+])CNCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000415063437 514422817 /nfs/dbraw/zinc/42/28/17/514422817.db2.gz IALDYGYZRGTPOJ-MRXNPFEDSA-N 1 0 359.426 2.964 20 5 FFBDRO COc1cc(CN2CC[C@H](C)[C@H](C[NH3+])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000415103285 514445228 /nfs/dbraw/zinc/44/52/28/514445228.db2.gz DAZFSFZHEJADGZ-CMPLNLGQSA-N 1 0 359.373 2.622 20 5 FFBDRO [NH3+]C[C@H](CN1CCN(c2cccc([N+](=O)[O-])c2)CC1)c1ccc(F)cc1 ZINC000424301767 514449947 /nfs/dbraw/zinc/44/99/47/514449947.db2.gz LHEIPRQQYLCHSY-MRXNPFEDSA-N 1 0 358.417 2.598 20 5 FFBDRO COc1cc(C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)c([N+](=O)[O-])cc1F ZINC000449982410 514452050 /nfs/dbraw/zinc/45/20/50/514452050.db2.gz SZQPWQXHAHIOHM-ZDUSSCGKSA-N 1 0 365.405 2.737 20 5 FFBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(C2([NH3+])CCCCC2)no1 ZINC000424337048 514459253 /nfs/dbraw/zinc/45/92/53/514459253.db2.gz KOOMFTSMWBKYHR-LLVKDONJSA-N 1 0 359.386 2.587 20 5 FFBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000421101376 514483926 /nfs/dbraw/zinc/48/39/26/514483926.db2.gz VUWRVKUQEUSOKA-NSHDSACASA-N 1 0 358.345 2.754 20 5 FFBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C1 ZINC000450100890 514498109 /nfs/dbraw/zinc/49/81/09/514498109.db2.gz LYUIGLAIGHSBGT-HIFRSBDPSA-N 1 0 357.414 2.588 20 5 FFBDRO O=C1[C@H]([NH2+][C@@H](c2cccnc2)C2CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000445804913 514525092 /nfs/dbraw/zinc/52/50/92/514525092.db2.gz DOLGJPUGAJYGTQ-QZTJIDSGSA-N 1 0 352.394 2.836 20 5 FFBDRO Cn1cc(CN2C[C@@H](F)C[C@H]2C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])cn1 ZINC000475040660 514535402 /nfs/dbraw/zinc/53/54/02/514535402.db2.gz UPKCRZJKZUFATM-LWLUOKNMSA-N 1 0 373.432 2.544 20 5 FFBDRO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000466222072 514581782 /nfs/dbraw/zinc/58/17/82/514581782.db2.gz GBOPXCMKXKDAAD-CABCVRRESA-N 1 0 352.822 2.674 20 5 FFBDRO CN(C(=O)Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475315402 514616002 /nfs/dbraw/zinc/61/60/02/514616002.db2.gz XBYYLFOAOAOFBX-LJQANCHMSA-N 1 0 353.422 2.870 20 5 FFBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C)C[C@@H](C)C1 ZINC000453428742 514631192 /nfs/dbraw/zinc/63/11/92/514631192.db2.gz QMHSUGIWXHGTDG-VBQJREDUSA-N 1 0 370.457 2.557 20 5 FFBDRO COC(=O)COc1ccc(C[N@@H+]2CCC[C@](C)(OC)CC2)cc1[N+](=O)[O-] ZINC000475559685 514714585 /nfs/dbraw/zinc/71/45/85/514714585.db2.gz FHARAVZLUXNTMO-SFHVURJKSA-N 1 0 366.414 2.538 20 5 FFBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000508344528 514748507 /nfs/dbraw/zinc/74/85/07/514748507.db2.gz QWLLNOZHKWMIGO-CABCVRRESA-N 1 0 371.441 2.631 20 5 FFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@](C)(O)C(=O)OC(C)(C)C ZINC000484747504 514780389 /nfs/dbraw/zinc/78/03/89/514780389.db2.gz AJCAWMPQTMAKDE-ACJLOTCBSA-N 1 0 352.431 2.598 20 5 FFBDRO O=[N+]([O-])c1cnn(CCN2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c1 ZINC000475728401 514781404 /nfs/dbraw/zinc/78/14/04/514781404.db2.gz AKZHSCHQBDNUOW-HXUWFJFHSA-N 1 0 369.469 2.779 20 5 FFBDRO COc1ccc(OCC[N@@H+]2CCC[C@@]3(CCCOC3)C2)c([N+](=O)[O-])c1 ZINC000475746816 514792083 /nfs/dbraw/zinc/79/20/83/514792083.db2.gz HIUNZXXWIGUCET-GOSISDBHSA-N 1 0 350.415 2.875 20 5 FFBDRO CC(C)[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Br)CC[N@@H+]1C ZINC000489327875 514799453 /nfs/dbraw/zinc/79/94/53/514799453.db2.gz MIAMWWBSVMOMTD-AWEZNQCLSA-N 1 0 370.247 2.770 20 5 FFBDRO COCC[N@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1scnc1C ZINC000489445920 514848968 /nfs/dbraw/zinc/84/89/68/514848968.db2.gz FOXMKOINMZCCJX-UHFFFAOYSA-N 1 0 351.428 2.887 20 5 FFBDRO C[C@@H](O)C[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)[C@@H](C)C1 ZINC000480202536 514878243 /nfs/dbraw/zinc/87/82/43/514878243.db2.gz YKWMZEATXDKHEY-UONOGXRCSA-N 1 0 351.447 2.663 20 5 FFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](CO)Cc2ccc(F)c(F)c2)c(F)c1 ZINC000480452982 514964558 /nfs/dbraw/zinc/96/45/58/514964558.db2.gz JBZVTKSTWIRFPS-GFCCVEGCSA-N 1 0 354.328 2.953 20 5 FFBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000480515376 514983381 /nfs/dbraw/zinc/98/33/81/514983381.db2.gz XLXNQZUIIIBDJW-MRXNPFEDSA-N 1 0 368.437 2.888 20 5 FFBDRO Cc1ccc(C[C@@H](CO)[NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000467358450 514986484 /nfs/dbraw/zinc/98/64/84/514986484.db2.gz ODRUUVWVJDWCFC-QAPCUYQASA-N 1 0 371.437 2.814 20 5 FFBDRO C[NH+](C)CCCC(C)(C)NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000456187049 515008312 /nfs/dbraw/zinc/00/83/12/515008312.db2.gz IBPGNIQTBXYKMR-UHFFFAOYSA-N 1 0 359.430 2.835 20 5 FFBDRO C[C@H]1C[C@@H]([NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC(C)(C)C1 ZINC000462372348 515019339 /nfs/dbraw/zinc/01/93/39/515019339.db2.gz XJCXOTPHCVNROC-UONOGXRCSA-N 1 0 369.487 2.678 20 5 FFBDRO CCCN(C(=O)c1cc([N+](=O)[O-])n[nH]1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000509098891 515021574 /nfs/dbraw/zinc/02/15/74/515021574.db2.gz VVOVQHOLSYIAQU-MRXNPFEDSA-N 1 0 371.441 2.835 20 5 FFBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000456260454 515057375 /nfs/dbraw/zinc/05/73/75/515057375.db2.gz FPHLXIKCEXVTKH-INIZCTEOSA-N 1 0 357.414 2.677 20 5 FFBDRO CC[N@H+](C)[C@@H](C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1)c1ccccc1 ZINC000490005918 515066323 /nfs/dbraw/zinc/06/63/23/515066323.db2.gz DCMXNVKRHGLMBW-GOSISDBHSA-N 1 0 357.410 2.913 20 5 FFBDRO CC[C@]1(C(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCC[NH2+]1 ZINC000467696042 515083058 /nfs/dbraw/zinc/08/30/58/515083058.db2.gz SVBCDFQNPXFPDF-OAHLLOKOSA-N 1 0 374.363 2.674 20 5 FFBDRO C[NH+](C)[C@@H](CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)c1cccs1 ZINC000485574380 515098160 /nfs/dbraw/zinc/09/81/60/515098160.db2.gz GABWWGLZNCWEHD-AWEZNQCLSA-N 1 0 369.393 2.896 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)c1C ZINC000498879569 515099238 /nfs/dbraw/zinc/09/92/38/515099238.db2.gz GLARBXILOHUKAT-AWEZNQCLSA-N 1 0 369.487 2.562 20 5 FFBDRO O=[N+]([O-])c1ccc(CN2CCOCC2)cc1NC1CC([NH+]2CCCCC2)C1 ZINC000480842826 515104020 /nfs/dbraw/zinc/10/40/20/515104020.db2.gz OYHDHKVUOGFLID-UHFFFAOYSA-N 1 0 374.485 2.856 20 5 FFBDRO CC[NH+](CC)CCO[C@H]1CCN(c2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000467782391 515115906 /nfs/dbraw/zinc/11/59/06/515115906.db2.gz DEUNIWNUTCNWSD-ZDUSSCGKSA-N 1 0 355.410 2.680 20 5 FFBDRO CC[NH+](CC)CCO[C@@H]1CCN(c2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000467782390 515116583 /nfs/dbraw/zinc/11/65/83/515116583.db2.gz DEUNIWNUTCNWSD-CYBMUJFWSA-N 1 0 355.410 2.680 20 5 FFBDRO C[C@H](NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000467849779 515146640 /nfs/dbraw/zinc/14/66/40/515146640.db2.gz IRKZSXCAQWFDJD-JXFKEZNVSA-N 1 0 355.438 2.882 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)CC[NH+](C(C)C)C(C)C)cc1C ZINC000504010348 515197205 /nfs/dbraw/zinc/19/72/05/515197205.db2.gz VBZJWTUTFSPRRP-UHFFFAOYSA-N 1 0 371.503 2.951 20 5 FFBDRO C[C@@H]1[C@H](Nc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)CCC[N@@H+]1C ZINC000462701951 515198422 /nfs/dbraw/zinc/19/84/22/515198422.db2.gz PEYSKMCVWKYGFH-GDBMZVCRSA-N 1 0 356.426 2.885 20 5 FFBDRO CC(C)O[C@H]1C[C@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000462848963 515268735 /nfs/dbraw/zinc/26/87/35/515268735.db2.gz ZMIJIRSSKRPLCH-HOTGVXAUSA-N 1 0 370.471 2.550 20 5 FFBDRO COc1cc(N(C)CC[NH+]2CCN(c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000462860097 515271918 /nfs/dbraw/zinc/27/19/18/515271918.db2.gz FJDYJICOMUFLBF-UHFFFAOYSA-N 1 0 370.453 2.862 20 5 FFBDRO COc1ccc(NC(=O)N[C@@H](C)C[NH+]2CCCCCC2)cc1[N+](=O)[O-] ZINC000481286660 515276381 /nfs/dbraw/zinc/27/63/81/515276381.db2.gz NGHNGTZFOIGEER-ZDUSSCGKSA-N 1 0 350.419 2.989 20 5 FFBDRO CCc1cc(N[C@H]2CC[N@H+](C)[C@@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000462885085 515281759 /nfs/dbraw/zinc/28/17/59/515281759.db2.gz TWJLISKVLYLTLJ-BBRMVZONSA-N 1 0 355.442 2.931 20 5 FFBDRO CNc1c(C(=O)NC[C@@H](c2cccc(OC)c2)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000462906320 515290761 /nfs/dbraw/zinc/29/07/61/515290761.db2.gz LHNCXNJDIUBCGW-KRWDZBQOSA-N 1 0 372.425 2.678 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)C[C@@H]1C ZINC000481388076 515310786 /nfs/dbraw/zinc/31/07/86/515310786.db2.gz CNZRFEKFJSZRIW-LSDHHAIUSA-N 1 0 369.487 2.705 20 5 FFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@]1(CCO)CCOC1 ZINC000504893650 515402551 /nfs/dbraw/zinc/40/25/51/515402551.db2.gz HLAPEIXFOWFOFT-RHSMWYFYSA-N 1 0 354.472 2.844 20 5 FFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCN(CCOC)C1 ZINC000504906483 515406107 /nfs/dbraw/zinc/40/61/07/515406107.db2.gz YTTGAHSVCXZNDR-HUUCEWRRSA-N 1 0 353.488 2.776 20 5 FFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCC(=O)NCc1cccnc1 ZINC000468625482 515443733 /nfs/dbraw/zinc/44/37/33/515443733.db2.gz PUCLNPOUWNCLPV-GDNBJRDFSA-N 1 0 354.410 2.689 20 5 FFBDRO CCOc1cc(N2CC[NH+](Cc3ccc(CO)cc3)CC2)ccc1[N+](=O)[O-] ZINC000481769338 515460389 /nfs/dbraw/zinc/46/03/89/515460389.db2.gz PEWWGQOBQJUMCR-UHFFFAOYSA-N 1 0 371.437 2.808 20 5 FFBDRO CC[NH+]1CCC(CCNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000486463203 515492785 /nfs/dbraw/zinc/49/27/85/515492785.db2.gz CLZFBFARWVTRHS-UHFFFAOYSA-N 1 0 355.385 2.654 20 5 FFBDRO COC(=O)C[C@]1([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCOC1 ZINC000463722534 515592210 /nfs/dbraw/zinc/59/22/10/515592210.db2.gz NLKCNSVZINBTGB-GOSISDBHSA-N 1 0 360.366 2.667 20 5 FFBDRO Cc1cc(C)c(S(=O)(=O)NCCC[N@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000493442881 515633675 /nfs/dbraw/zinc/63/36/75/515633675.db2.gz PTAYUSBRBXGFGD-HNNXBMFYSA-N 1 0 369.487 2.754 20 5 FFBDRO C[N@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)CCn1ccc([N+](=O)[O-])n1 ZINC000478000732 515664742 /nfs/dbraw/zinc/66/47/42/515664742.db2.gz JBPQXULHEHTURM-UHFFFAOYSA-N 1 0 372.404 2.885 20 5 FFBDRO O=C(CC(F)(F)F)NC[C@@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000510906293 515710804 /nfs/dbraw/zinc/71/08/04/515710804.db2.gz XZKAZLMQDAPRRG-ZDUSSCGKSA-N 1 0 359.348 2.875 20 5 FFBDRO Cc1ccc(C)c(S(=O)(=O)NCC2([NH+](C)C)CCCCC2)c1[N+](=O)[O-] ZINC000478152707 515719181 /nfs/dbraw/zinc/71/91/81/515719181.db2.gz ANSXTVHADMJCER-UHFFFAOYSA-N 1 0 369.487 2.754 20 5 FFBDRO CCN(CCn1ccc([N+](=O)[O-])n1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000478437699 515822897 /nfs/dbraw/zinc/82/28/97/515822897.db2.gz QCGNYTPNZABYCL-WMZOPIPTSA-N 1 0 357.458 2.949 20 5 FFBDRO C[NH+](C)CCN(Cc1ccccn1)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000500750312 515841019 /nfs/dbraw/zinc/84/10/19/515841019.db2.gz OMQDYZOFVBCUJE-UHFFFAOYSA-N 1 0 362.817 2.847 20 5 FFBDRO CCC1(CC)C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCS1 ZINC000464581336 515883402 /nfs/dbraw/zinc/88/34/02/515883402.db2.gz ODWVUNFRCKLIGN-CQSZACIVSA-N 1 0 354.472 2.942 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]Cc2cc(Cl)cs2)cc1 ZINC000487546950 515901310 /nfs/dbraw/zinc/90/13/10/515901310.db2.gz FAHBEFFIPSCBSM-UHFFFAOYSA-N 1 0 360.844 2.873 20 5 FFBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000511531532 515936625 /nfs/dbraw/zinc/93/66/25/515936625.db2.gz ZCBCDKMMHDRFFJ-HOTGVXAUSA-N 1 0 362.474 2.899 20 5 FFBDRO C[C@@H](CC[NH+](C)C)NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000501073297 515967254 /nfs/dbraw/zinc/96/72/54/515967254.db2.gz LCIVOAWPNXFREW-VIFPVBQESA-N 1 0 359.224 2.819 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000494810916 515971077 /nfs/dbraw/zinc/97/10/77/515971077.db2.gz UKJDOLNVAGAXSI-HNNXBMFYSA-N 1 0 355.394 2.608 20 5 FFBDRO C[C@H]1CCCN(c2ccc(C(=O)NCC[N@H+]3CC=CCC3)cc2[N+](=O)[O-])C1 ZINC000506766016 515979032 /nfs/dbraw/zinc/97/90/32/515979032.db2.gz IEZWZCIQUVVHPQ-INIZCTEOSA-N 1 0 372.469 2.823 20 5 FFBDRO COc1c(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000474431922 516043524 /nfs/dbraw/zinc/04/35/24/516043524.db2.gz JCXYYVZIKDHZOT-OAHLLOKOSA-N 1 0 355.394 2.608 20 5 FFBDRO COCC[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H]1CCC[C@H]1C ZINC000487959908 516052290 /nfs/dbraw/zinc/05/22/90/516052290.db2.gz SJHNMFFPFCZGFS-RHSMWYFYSA-N 1 0 361.442 2.621 20 5 FFBDRO CCOc1cc(C[NH2+][C@H](CC(=O)NC)c2ccccc2)ccc1[N+](=O)[O-] ZINC000483412909 516077380 /nfs/dbraw/zinc/07/73/80/516077380.db2.gz XMHKDJCONJACLO-MRXNPFEDSA-N 1 0 357.410 2.961 20 5 FFBDRO Cc1ccc(NCCCNC(=O)[C@H](C[NH3+])c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000479150216 516078590 /nfs/dbraw/zinc/07/85/90/516078590.db2.gz BCZJRFOGQFOQJV-MRXNPFEDSA-N 1 0 374.416 2.703 20 5 FFBDRO C[C@@H](CO)[N@@H+]1CCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000470131023 516133509 /nfs/dbraw/zinc/13/35/09/516133509.db2.gz FNZUCTSQALXPNM-HNNXBMFYSA-N 1 0 359.426 2.743 20 5 FFBDRO CCC[C@H]1CN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC[N@@H+]1CCOC ZINC000501605858 516169506 /nfs/dbraw/zinc/16/95/06/516169506.db2.gz WHIQCRWGLNZPDC-AWEZNQCLSA-N 1 0 374.441 2.649 20 5 FFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCN(c2ccnc(C)n2)CC1 ZINC000470208594 516172368 /nfs/dbraw/zinc/17/23/68/516172368.db2.gz ZSXHOYRJELQYAE-NTCAYCPXSA-N 1 0 353.426 2.919 20 5 FFBDRO Cc1ccc(NCCCNC(=O)c2ccc3c(c2)C[NH2+]C3)c([N+](=O)[O-])c1 ZINC000470361861 516219311 /nfs/dbraw/zinc/21/93/11/516219311.db2.gz LNMQPRASTHPTNS-UHFFFAOYSA-N 1 0 354.410 2.738 20 5 FFBDRO C[C@@H]1CCC[C@@](CNC(=O)NCCc2ccccc2[N+](=O)[O-])([NH+](C)C)C1 ZINC000465703430 516232852 /nfs/dbraw/zinc/23/28/52/516232852.db2.gz ZDQAEYSEWQJAOT-DNVCBOLYSA-N 1 0 362.474 2.947 20 5 FFBDRO C[N@H+](CCNC(=O)NCCc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000465759847 516250191 /nfs/dbraw/zinc/25/01/91/516250191.db2.gz QXZOEVXHTPAXFX-UHFFFAOYSA-N 1 0 356.426 2.569 20 5 FFBDRO COc1ccc(-c2ccc(C[NH+]3C[C@H](OC)[C@@H](OC)C3)o2)c([N+](=O)[O-])c1 ZINC000488564291 516262264 /nfs/dbraw/zinc/26/22/64/516262264.db2.gz VFVKHAQYWAAGGV-ROUUACIJSA-N 1 0 362.382 2.709 20 5 FFBDRO CCC[C@H]1CN(c2ncnc3sc([N+](=O)[O-])cc32)CC[N@@H+]1CCOC ZINC000557609307 516333737 /nfs/dbraw/zinc/33/37/37/516333737.db2.gz DKYDPYPPCBYOIX-LBPRGKRZSA-N 1 0 365.459 2.537 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]Cc2cccc3[nH]ccc32)cc1 ZINC000543637779 516341624 /nfs/dbraw/zinc/34/16/24/516341624.db2.gz WBPKJMHJWLGFKN-UHFFFAOYSA-N 1 0 359.407 2.640 20 5 FFBDRO COc1cc(C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)cc([N+](=O)[O-])c1C ZINC000517565032 516367239 /nfs/dbraw/zinc/36/72/39/516367239.db2.gz NWDAPISLBTUDCG-UHFFFAOYSA-N 1 0 373.453 2.795 20 5 FFBDRO CN(C)C(=O)C[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000561107720 516382627 /nfs/dbraw/zinc/38/26/27/516382627.db2.gz PEBYVBCRPUUERT-GOSISDBHSA-N 1 0 357.410 2.783 20 5 FFBDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000523135675 516394965 /nfs/dbraw/zinc/39/49/65/516394965.db2.gz UXDPLOMDONOULU-HNNXBMFYSA-N 1 0 369.849 2.816 20 5 FFBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC(Cc2ccccc2F)CC1 ZINC000535584401 516412522 /nfs/dbraw/zinc/41/25/22/516412522.db2.gz LONOSNJKGGPOEC-UHFFFAOYSA-N 1 0 359.401 2.850 20 5 FFBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000523284772 516423519 /nfs/dbraw/zinc/42/35/19/516423519.db2.gz DAXNZPRFKMHIFI-GOSISDBHSA-N 1 0 360.458 2.874 20 5 FFBDRO C[NH+](C)CCOc1cc(CNc2ccc3cc([N+](=O)[O-])ccc3n2)ccn1 ZINC000535688392 516450985 /nfs/dbraw/zinc/45/09/85/516450985.db2.gz SQLGFQQAFDPPOJ-UHFFFAOYSA-N 1 0 367.409 2.512 20 5 FFBDRO CCn1c(C)nc([N+](=O)[O-])c1N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000554680756 516583366 /nfs/dbraw/zinc/58/33/66/516583366.db2.gz KZKAWEUWMNIKJP-UHFFFAOYSA-N 1 0 367.400 2.966 20 5 FFBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@H](c2nccn2C)C1 ZINC000536068648 516617133 /nfs/dbraw/zinc/61/71/33/516617133.db2.gz JUBXDXLFSWZBIR-JSGCOSHPSA-N 1 0 368.397 2.929 20 5 FFBDRO CCC[NH+](CCC)CCCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000524126751 516648404 /nfs/dbraw/zinc/64/84/04/516648404.db2.gz KCJKEGKTZHZFOH-UHFFFAOYSA-N 1 0 351.403 2.565 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1CN(CC[NH+](C)C)Cc1ccccn1 ZINC000518440494 516659880 /nfs/dbraw/zinc/65/98/80/516659880.db2.gz WFSIDAJDCDDRGP-UHFFFAOYSA-N 1 0 358.442 2.952 20 5 FFBDRO CCc1ccc([C@@H](NC[C@@H]2C[N@H+](C)CCN2C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000544360841 516722243 /nfs/dbraw/zinc/72/22/43/516722243.db2.gz SDLPLYGWONDUJW-XLIONFOSSA-N 1 0 372.469 2.675 20 5 FFBDRO COc1ccc(-c2n[nH]cc2CN(CC[NH3+])c2ccccc2[N+](=O)[O-])cc1 ZINC000558415922 516729419 /nfs/dbraw/zinc/72/94/19/516729419.db2.gz KJGJJOMVSZIIND-UHFFFAOYSA-N 1 0 367.409 2.959 20 5 FFBDRO O=[N+]([O-])c1cccc2ncnc(NCC3CCN(c4cc[nH+]cc4)CC3)c21 ZINC000544395069 516740383 /nfs/dbraw/zinc/74/03/83/516740383.db2.gz FMCSXYJOIJQBCV-UHFFFAOYSA-N 1 0 364.409 2.683 20 5 FFBDRO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000519097325 516882341 /nfs/dbraw/zinc/88/23/41/516882341.db2.gz DOGBMKHLIZAISY-UHFFFAOYSA-N 1 0 359.430 2.611 20 5 FFBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000514639498 516975108 /nfs/dbraw/zinc/97/51/08/516975108.db2.gz CYRLTQBLGGDBAC-OAHLLOKOSA-N 1 0 350.463 2.899 20 5 FFBDRO COc1cccc(C[C@H]2CCC[N@@H+]2Cc2ccc(C(N)=O)cc2[N+](=O)[O-])c1 ZINC000532484374 516999533 /nfs/dbraw/zinc/99/95/33/516999533.db2.gz SBZJHYPKCMVXKL-QGZVFWFLSA-N 1 0 369.421 2.909 20 5 FFBDRO COc1cccc([N+](=O)[O-])c1N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000514679239 517001743 /nfs/dbraw/zinc/00/17/43/517001743.db2.gz JWXFAAVCIHYDBY-UHFFFAOYSA-N 1 0 363.458 2.932 20 5 FFBDRO COCCN(C)c1ccc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)cn1 ZINC000559071990 517067814 /nfs/dbraw/zinc/06/78/14/517067814.db2.gz NDXJMQNHKMAHLL-UHFFFAOYSA-N 1 0 358.442 2.747 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000525544406 517071406 /nfs/dbraw/zinc/07/14/06/517071406.db2.gz BZUZIZVFVOFGNC-DYEKYZERSA-N 1 0 369.849 2.957 20 5 FFBDRO C[C@H](Cc1cccs1)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000514852780 517091045 /nfs/dbraw/zinc/09/10/45/517091045.db2.gz SAMCPJMZARWVIE-GFCCVEGCSA-N 1 0 354.453 2.651 20 5 FFBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000532699187 517103471 /nfs/dbraw/zinc/10/34/71/517103471.db2.gz GJQIJYJODBVSAT-BZUAXINKSA-N 1 0 360.458 2.871 20 5 FFBDRO C[C@@H](CNc1ncnc2cccc([N+](=O)[O-])c21)[N@@H+]1CCc2ccccc2C1 ZINC000541577657 517122277 /nfs/dbraw/zinc/12/22/77/517122277.db2.gz FFOJMGUPJLXQGY-AWEZNQCLSA-N 1 0 363.421 2.819 20 5 FFBDRO COc1cc(C[C@@H](CO)C[NH2+]Cc2ccccc2[N+](=O)[O-])cc(OC)c1 ZINC000537311357 517139344 /nfs/dbraw/zinc/13/93/44/517139344.db2.gz OFJRAYSSYUVBKN-OAHLLOKOSA-N 1 0 360.410 2.553 20 5 FFBDRO CS[C@@H]1CN(c2nc3c(cc2[N+](=O)[O-])CCCC3)C[C@H]1[NH+]1CCCC1 ZINC000519712387 517142554 /nfs/dbraw/zinc/14/25/54/517142554.db2.gz XXXWSIZSLDWJGQ-IAGOWNOFSA-N 1 0 362.499 2.885 20 5 FFBDRO CCS(=O)(=O)N1CCC(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000541768860 517207038 /nfs/dbraw/zinc/20/70/38/517207038.db2.gz RKFPISFBUPXCSH-AWEZNQCLSA-N 1 0 369.487 2.616 20 5 FFBDRO COc1cc(C[C@@H](CO)C[NH2+]Cc2ccc([N+](=O)[O-])cc2C)cc(OC)c1 ZINC000541776023 517211662 /nfs/dbraw/zinc/21/16/62/517211662.db2.gz HGQHTVDDNOMANP-MRXNPFEDSA-N 1 0 374.437 2.861 20 5 FFBDRO CCOC(=O)c1ccc(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000548825322 517236045 /nfs/dbraw/zinc/23/60/45/517236045.db2.gz KWLUMCMSCZINDU-UHFFFAOYSA-N 1 0 371.393 2.890 20 5 FFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000526046917 517311435 /nfs/dbraw/zinc/31/14/35/517311435.db2.gz HGQUUPHZVPVQLI-NSBLKUNKSA-N 1 0 352.456 2.944 20 5 FFBDRO COc1ccc(NC(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000542030230 517347087 /nfs/dbraw/zinc/34/70/87/517347087.db2.gz RGKFLFWBTVVKQR-QWHCGFSZSA-N 1 0 350.419 2.988 20 5 FFBDRO CN(C)[C@@H](C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1cccc(F)c1 ZINC000562741077 517359612 /nfs/dbraw/zinc/35/96/12/517359612.db2.gz QKJFBLKQISZTKB-SFHVURJKSA-N 1 0 374.416 2.955 20 5 FFBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000520421741 517387291 /nfs/dbraw/zinc/38/72/91/517387291.db2.gz AXRUUGOBIWWYFS-INMHGKMJSA-N 1 0 361.442 2.837 20 5 FFBDRO C[NH+](C)CCc1ccc(C(=O)NCCNc2ccccc2[N+](=O)[O-])cc1 ZINC000552865544 517421397 /nfs/dbraw/zinc/42/13/97/517421397.db2.gz UZAHSCZICNAMCG-UHFFFAOYSA-N 1 0 356.426 2.541 20 5 FFBDRO CCC[N@@H+]1CC[C@H](CN[C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C1 ZINC000562854491 517459533 /nfs/dbraw/zinc/45/95/33/517459533.db2.gz XMJQGQQZBUFSPJ-QAPCUYQASA-N 1 0 357.458 2.739 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H]3CCCCS3(=O)=O)o2)cc1 ZINC000542311222 517497999 /nfs/dbraw/zinc/49/79/99/517497999.db2.gz NHQFKNULIWDTJX-MRXNPFEDSA-N 1 0 364.423 2.912 20 5 FFBDRO COc1ccc(COC[C@@H](O)C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000538279072 517538952 /nfs/dbraw/zinc/53/89/52/517538952.db2.gz ITTKLLJXGVNKKD-ZBFHGGJFSA-N 1 0 360.410 2.832 20 5 FFBDRO COc1cc(C(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])c([N+](=O)[O-])cc1OC(F)F ZINC000562973527 517546104 /nfs/dbraw/zinc/54/61/04/517546104.db2.gz GXRZHIKTXGYGPO-MWLCHTKSSA-N 1 0 373.356 2.547 20 5 FFBDRO COc1cc(C(=O)N2CCCC[C@H]2[C@H](C)[NH3+])c([N+](=O)[O-])cc1OC(F)F ZINC000562973528 517546342 /nfs/dbraw/zinc/54/63/42/517546342.db2.gz GXRZHIKTXGYGPO-ONGXEEELSA-N 1 0 373.356 2.547 20 5 FFBDRO C[NH+](C)CCc1ccc(CNC(=O)NCc2cccc([N+](=O)[O-])c2)cc1 ZINC000527212311 517564864 /nfs/dbraw/zinc/56/48/64/517564864.db2.gz VEBHZACJGRKGBE-UHFFFAOYSA-N 1 0 356.426 2.698 20 5 FFBDRO Cc1c(Br)c(NC[C@@H]2CC[N@@H+](CC(C)C)C2)ncc1[N+](=O)[O-] ZINC000542505579 517599416 /nfs/dbraw/zinc/59/94/16/517599416.db2.gz ILPVLQZCHDTMRB-LBPRGKRZSA-N 1 0 371.279 2.872 20 5 FFBDRO C[C@@H](CNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)[N@H+](C)Cc1ccccc1 ZINC000553390400 517686136 /nfs/dbraw/zinc/68/61/36/517686136.db2.gz YSMFAGNJTAJWDD-ZDUSSCGKSA-N 1 0 367.409 2.598 20 5 FFBDRO C[NH+](C)CCOc1ccccc1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000521338487 517697418 /nfs/dbraw/zinc/69/74/18/517697418.db2.gz NUDQLSGXWAMRHC-UHFFFAOYSA-N 1 0 361.373 2.604 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000542744745 517714734 /nfs/dbraw/zinc/71/47/34/517714734.db2.gz IETPOWHUPMYGRC-ZFWWWQNUSA-N 1 0 369.487 2.562 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@@H]2CCN(c3ncccc3F)C2)n1 ZINC000530359297 517726945 /nfs/dbraw/zinc/72/69/45/517726945.db2.gz CFWWCTTUKKILLM-FVQBIDKESA-N 1 0 374.420 2.678 20 5 FFBDRO C[NH+](C)CCOc1cc(C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)ccn1 ZINC000560356087 517727598 /nfs/dbraw/zinc/72/75/98/517727598.db2.gz MMDBKLWYMIKTAK-UHFFFAOYSA-N 1 0 372.425 2.595 20 5 FFBDRO Cc1cccc(OC[C@H](C)[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000516562955 517745556 /nfs/dbraw/zinc/74/55/56/517745556.db2.gz KJGIAQZLALVFEY-RDJZCZTQSA-N 1 0 360.410 2.700 20 5 FFBDRO C[C@H](CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)[N@@H+]1CCC[C@@H](C)C1 ZINC000521533253 517765432 /nfs/dbraw/zinc/76/54/32/517765432.db2.gz SHXOTTZEGUEUEF-HUUCEWRRSA-N 1 0 358.442 2.786 20 5 FFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]Cc2ccc(-n3cncn3)cc2)n1 ZINC000521560875 517776414 /nfs/dbraw/zinc/77/64/14/517776414.db2.gz SRXPDKCVSLKDGW-SJORKVTESA-N 1 0 367.413 2.646 20 5 FFBDRO Cc1cc([N+](=O)[O-])cnc1NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000553592604 517801199 /nfs/dbraw/zinc/80/11/99/517801199.db2.gz SOTJTYKJGJDHJI-UHFFFAOYSA-N 1 0 356.426 2.805 20 5 FFBDRO COc1cc(CN2CC[N@H+](C)[C@H](C)[C@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000538953268 517862008 /nfs/dbraw/zinc/86/20/08/517862008.db2.gz LLPOWUZHYXZLGN-GHMZBOCLSA-N 1 0 359.373 2.729 20 5 FFBDRO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000516945696 517931745 /nfs/dbraw/zinc/93/17/45/517931745.db2.gz YZLNLAMJWHIXTA-ZDUSSCGKSA-N 1 0 367.396 2.892 20 5 FFBDRO C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccccn1)c1ccccc1[N+](=O)[O-] ZINC000539297229 517982518 /nfs/dbraw/zinc/98/25/18/517982518.db2.gz IBOBDBMMDNXKSC-OAHLLOKOSA-N 1 0 371.441 2.824 20 5 FFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H](O)CCc1ccccc1 ZINC000543393559 518067353 /nfs/dbraw/zinc/06/73/53/518067353.db2.gz JMYADRYMZOVRQT-BEFAXECRSA-N 1 0 371.437 2.895 20 5 FFBDRO Cc1nn(CCC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000522474508 518115059 /nfs/dbraw/zinc/11/50/59/518115059.db2.gz YQBYWRDWFBFJRP-AWEZNQCLSA-N 1 0 365.478 2.569 20 5 FFBDRO CCOc1cc(NC(=O)NCC2CC[NH2+]CC2)c([N+](=O)[O-])cc1OCC ZINC000517330491 518120698 /nfs/dbraw/zinc/12/06/98/518120698.db2.gz HZTKRJUJWNSAPN-UHFFFAOYSA-N 1 0 366.418 2.513 20 5 FFBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000522651378 518140743 /nfs/dbraw/zinc/14/07/43/518140743.db2.gz NTVBZYMPKQIEBO-KBPBESRZSA-N 1 0 367.833 2.760 20 5 FFBDRO O=C1C[C@]2(CN1)CCC[N@@H+](Cc1ccc(-c3ccc([N+](=O)[O-])cc3)o1)C2 ZINC000539821194 518168318 /nfs/dbraw/zinc/16/83/18/518168318.db2.gz MXMMNNVEKKKTTH-IBGZPJMESA-N 1 0 355.394 2.957 20 5 FFBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000578464605 518221583 /nfs/dbraw/zinc/22/15/83/518221583.db2.gz ALMOFSSAGSFFAG-HUUCEWRRSA-N 1 0 373.457 2.791 20 5 FFBDRO CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)c1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000569674769 518231962 /nfs/dbraw/zinc/23/19/62/518231962.db2.gz WGHVZNHPQUFWPF-LBPRGKRZSA-N 1 0 353.394 2.689 20 5 FFBDRO COc1ccc(OCC[N@@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000566884675 518246752 /nfs/dbraw/zinc/24/67/52/518246752.db2.gz QNOLNTSZRCZQRF-IAGOWNOFSA-N 1 0 350.415 2.872 20 5 FFBDRO CCc1cccc(NC(=O)C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000575740567 518258212 /nfs/dbraw/zinc/25/82/12/518258212.db2.gz CJEYHPCUWOZKQG-UHFFFAOYSA-N 1 0 370.409 2.714 20 5 FFBDRO COc1ccc(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1Cl ZINC000584287054 518265343 /nfs/dbraw/zinc/26/53/43/518265343.db2.gz SAOZTIUFQVAHPJ-CQSZACIVSA-N 1 0 366.801 2.786 20 5 FFBDRO CCOc1cccc(N2CCC(CC[NH+]3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000567006714 518307054 /nfs/dbraw/zinc/30/70/54/518307054.db2.gz DIZMOFBCIXDBSD-UHFFFAOYSA-N 1 0 363.458 2.932 20 5 FFBDRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)c3cc([N+](=O)[O-])c[nH]3)C2)s1 ZINC000584372675 518307885 /nfs/dbraw/zinc/30/78/85/518307885.db2.gz GIEQXMFBDUEKGH-ZDUSSCGKSA-N 1 0 362.455 2.887 20 5 FFBDRO CC(C)C[C@H]([NH3+])c1noc(CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])n1 ZINC000575868069 518319126 /nfs/dbraw/zinc/31/91/26/518319126.db2.gz OXUGKLJRJNZUTQ-JTQLQIEISA-N 1 0 367.793 2.607 20 5 FFBDRO C[C@@H](C(=O)NC1CC[NH+](Cc2ccncc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000564150310 518324432 /nfs/dbraw/zinc/32/44/32/518324432.db2.gz HKBVOZZAPCUTTF-OAHLLOKOSA-N 1 0 368.437 2.874 20 5 FFBDRO COc1cccc([N+](=O)[O-])c1NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000578765970 518363793 /nfs/dbraw/zinc/36/37/93/518363793.db2.gz UWGSYRTUIVVZBG-UHFFFAOYSA-N 1 0 372.425 2.507 20 5 FFBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CCC[N@H+](CC2CCC2)CC1 ZINC000572820127 518375793 /nfs/dbraw/zinc/37/57/93/518375793.db2.gz PJGDCDUFZFQHAK-UHFFFAOYSA-N 1 0 370.453 2.884 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2CC[C@@H]3CCC[C@@H]3C2)cc1 ZINC000572870144 518400125 /nfs/dbraw/zinc/40/01/25/518400125.db2.gz DDBDRCMXQDIIGS-RRFJBIMHSA-N 1 0 352.456 2.927 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(C[NH2+][C@H]2CCCC[C@H]2N2CCOCC2)c(F)c1 ZINC000584770934 518469611 /nfs/dbraw/zinc/46/96/11/518469611.db2.gz MUCRLUFRDFVLLO-DLBZAZTESA-N 1 0 355.385 2.606 20 5 FFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000581894484 518490353 /nfs/dbraw/zinc/49/03/53/518490353.db2.gz VBEIHIKPVRPOFO-MLGOLLRUSA-N 1 0 358.419 2.743 20 5 FFBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@H]2CCc3cccc(Br)c3C2)c1 ZINC000576245022 518500483 /nfs/dbraw/zinc/50/04/83/518500483.db2.gz KHTVWMGWGYWWIZ-LBPRGKRZSA-N 1 0 365.231 2.701 20 5 FFBDRO CC(C)(C)NS(=O)(=O)CC[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000579071779 518503911 /nfs/dbraw/zinc/50/39/11/518503911.db2.gz HMXNQYQNJTWNEM-OAHLLOKOSA-N 1 0 369.487 2.625 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CCCn1ccc2ccccc21 ZINC000570272571 518525787 /nfs/dbraw/zinc/52/57/87/518525787.db2.gz GCRSFLLWERPQDY-QGZVFWFLSA-N 1 0 369.421 2.969 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000579112007 518528200 /nfs/dbraw/zinc/52/82/00/518528200.db2.gz YLCSIUJRKFBFSI-SJKOYZFVSA-N 1 0 367.833 2.618 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@H]2[C@@H]3c4ccccc4C[C@H]23)cc1 ZINC000576339439 518544198 /nfs/dbraw/zinc/54/41/98/518544198.db2.gz OVOHSBHBQSPINI-GUDVDZBRSA-N 1 0 372.446 2.544 20 5 FFBDRO [NH3+]C[C@H]1c2ccccc2CCN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000567502339 518557933 /nfs/dbraw/zinc/55/79/33/518557933.db2.gz HWBMIJKGBLMANK-KRWDZBQOSA-N 1 0 374.828 2.745 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000567541546 518575148 /nfs/dbraw/zinc/57/51/48/518575148.db2.gz FDDPGRFOINMXNQ-DOTOQJQBSA-N 1 0 360.385 2.963 20 5 FFBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]CCc1ccc3c[nH]nc3c1)OCCO2 ZINC000585743485 518581747 /nfs/dbraw/zinc/58/17/47/518581747.db2.gz ZXZMDQHNFJNNHA-UHFFFAOYSA-N 1 0 354.366 2.575 20 5 FFBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000576414766 518582862 /nfs/dbraw/zinc/58/28/62/518582862.db2.gz QDNRVXXWTGMRJE-CQSZACIVSA-N 1 0 350.806 2.619 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1COc2ccc(Cl)cc21 ZINC000579228348 518583080 /nfs/dbraw/zinc/58/30/80/518583080.db2.gz JSJMNGCCFFQEEK-TZMCWYRMSA-N 1 0 364.785 2.711 20 5 FFBDRO O=C(CC[NH2+]CC[C@H]1COc2ccccc2O1)Nc1ccccc1[N+](=O)[O-] ZINC000567688074 518655016 /nfs/dbraw/zinc/65/50/16/518655016.db2.gz INONJWPNYACLAT-AWEZNQCLSA-N 1 0 371.393 2.743 20 5 FFBDRO COc1cccc(C[C@@H](C)[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000564856967 518657672 /nfs/dbraw/zinc/65/76/72/518657672.db2.gz PIYPJJVEEGEYLZ-PBHICJAKSA-N 1 0 360.410 2.564 20 5 FFBDRO C[C@@H](COc1cccc(F)c1)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000570675624 518726318 /nfs/dbraw/zinc/72/63/18/518726318.db2.gz PRYOFAGWJFRLKP-DZGCQCFKSA-N 1 0 364.373 2.531 20 5 FFBDRO O=C(CN1CCC([NH2+]CC2CC2)CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000573564789 518729741 /nfs/dbraw/zinc/72/97/41/518729741.db2.gz RWJKFUJRCCAFNC-UHFFFAOYSA-N 1 0 366.849 2.651 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)c1 ZINC000567842580 518741606 /nfs/dbraw/zinc/74/16/06/518741606.db2.gz SPFTVRDWASUBGV-UHFFFAOYSA-N 1 0 373.453 2.877 20 5 FFBDRO C[C@@H](Cn1ncc2ccccc2c1=O)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000582430561 518750869 /nfs/dbraw/zinc/75/08/69/518750869.db2.gz APEDBVOPAMMAQO-UGSOOPFHSA-N 1 0 364.405 2.970 20 5 FFBDRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)Cc3c([N+](=O)[O-])ncn3C)C2)s1 ZINC000565051390 518762812 /nfs/dbraw/zinc/76/28/12/518762812.db2.gz MVBRMWYSMVGFLL-CQSZACIVSA-N 1 0 363.487 2.652 20 5 FFBDRO [NH3+][C@@H](CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccccc1 ZINC000567882082 518764716 /nfs/dbraw/zinc/76/47/16/518764716.db2.gz CWXFPXUOOWRHRB-KRWDZBQOSA-N 1 0 368.437 2.627 20 5 FFBDRO C[C@]1(NC(=O)Cc2ccccc2[N+](=O)[O-])CC[N@H+](Cc2ccccc2)C1 ZINC000565063701 518770027 /nfs/dbraw/zinc/77/00/27/518770027.db2.gz DXECCKJDSVIROV-FQEVSTJZSA-N 1 0 353.422 2.918 20 5 FFBDRO COC(=O)c1ccc(CC[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000582482249 518774681 /nfs/dbraw/zinc/77/46/81/518774681.db2.gz XUSGXVFJTQHUEX-UHFFFAOYSA-N 1 0 371.393 2.542 20 5 FFBDRO O=[N+]([O-])c1cccc(CC[NH2+]C[C@@H](O)COc2ccc(Cl)cc2)c1 ZINC000582541230 518803551 /nfs/dbraw/zinc/80/35/51/518803551.db2.gz DKNPQTVDVPXNQH-MRXNPFEDSA-N 1 0 350.802 2.820 20 5 FFBDRO O=C(CC[NH2+]CCOc1ncccc1Cl)Nc1ccccc1[N+](=O)[O-] ZINC000570837627 518805027 /nfs/dbraw/zinc/80/50/27/518805027.db2.gz VPTZICNLQIWODH-UHFFFAOYSA-N 1 0 364.789 2.640 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CN(Cc2ccccc2)CC[C@H]1CO ZINC000582692919 518875319 /nfs/dbraw/zinc/87/53/19/518875319.db2.gz JBKQSPHPUVMBEI-PZJWPPBQSA-N 1 0 369.465 2.876 20 5 FFBDRO C[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(F)c2ccccc21 ZINC000588972897 518885961 /nfs/dbraw/zinc/88/59/61/518885961.db2.gz QZAIUWIGCWKYEA-TZMCWYRMSA-N 1 0 358.373 2.795 20 5 FFBDRO COc1ccc(C[N@H+](C)[C@@H](C)CO)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000582873298 518962280 /nfs/dbraw/zinc/96/22/80/518962280.db2.gz PTPPGJKAKMLMCL-AWEZNQCLSA-N 1 0 360.410 2.995 20 5 FFBDRO CSc1ccc(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000589317849 518979774 /nfs/dbraw/zinc/97/97/74/518979774.db2.gz RHPAPJCRZUEKJR-UHFFFAOYSA-N 1 0 372.493 2.942 20 5 FFBDRO CCCN(CC[NH+]1CCCCCC1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000582927389 518991306 /nfs/dbraw/zinc/99/13/06/518991306.db2.gz DQHDKRLGBRUYRV-UHFFFAOYSA-N 1 0 369.487 2.872 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2noc(CN3CCCC[C@H]3[C@@H]3CCC[NH2+]3)n2)cc1 ZINC000577371833 519048159 /nfs/dbraw/zinc/04/81/59/519048159.db2.gz XBGFMZLCXSHGFH-HOTGVXAUSA-N 1 0 357.414 2.751 20 5 FFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ncccc1N(C)C ZINC000574243181 519057005 /nfs/dbraw/zinc/05/70/05/519057005.db2.gz CPJUWAWQGYCEHE-ZDUSSCGKSA-N 1 0 357.414 2.563 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000571438215 519096162 /nfs/dbraw/zinc/09/61/62/519096162.db2.gz ZRVWJGSQOOBAOT-UHFFFAOYSA-N 1 0 368.437 2.903 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@@H]2CCCC[C@@H]2c2ccccc2)c1 ZINC000577503037 519113490 /nfs/dbraw/zinc/11/34/90/519113490.db2.gz JVYRYCABBJYQRE-QXAKKESOSA-N 1 0 358.442 2.716 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@H]2CCCC[C@H]2c2ccccc2)c1 ZINC000577503036 519114072 /nfs/dbraw/zinc/11/40/72/519114072.db2.gz JVYRYCABBJYQRE-QRQLOZEOSA-N 1 0 358.442 2.716 20 5 FFBDRO [NH3+]CCC[C@@H](NC(=O)NCCOc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000568608285 519125913 /nfs/dbraw/zinc/12/59/13/519125913.db2.gz BHUDDYQMWQMACU-GOSISDBHSA-N 1 0 372.425 2.753 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@H]2CCC[C@@H]2C2CC2)cc1 ZINC000568619403 519132565 /nfs/dbraw/zinc/13/25/65/519132565.db2.gz BPKFQEJHBKKYBR-RHSMWYFYSA-N 1 0 352.456 2.784 20 5 FFBDRO Cc1cc(N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000590140277 519160265 /nfs/dbraw/zinc/16/02/65/519160265.db2.gz ODLNOKVGPNXAAQ-HUUCEWRRSA-N 1 0 359.348 2.831 20 5 FFBDRO [NH3+]C[C@H]1CN(C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)CCO1 ZINC000571574897 519162832 /nfs/dbraw/zinc/16/28/32/519162832.db2.gz GCOJCMRJEGVIHN-HNNXBMFYSA-N 1 0 373.434 2.546 20 5 FFBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c1 ZINC000590158589 519165164 /nfs/dbraw/zinc/16/51/64/519165164.db2.gz SUXHAQBKHKSYMI-HZPDHXFCSA-N 1 0 373.375 2.645 20 5 FFBDRO Cc1cc(S(=O)(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]2)c(C)cc1[N+](=O)[O-] ZINC000583393132 519224957 /nfs/dbraw/zinc/22/49/57/519224957.db2.gz ZXOYYTYNTCMYKR-GJZGRUSLSA-N 1 0 367.471 2.507 20 5 FFBDRO [NH3+][C@@H]1CCc2ncc(NC(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)cc2C1 ZINC000566004672 519242282 /nfs/dbraw/zinc/24/22/82/519242282.db2.gz UEMZELHPPPIKDU-CYBMUJFWSA-N 1 0 367.409 2.632 20 5 FFBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+][C@@H]1CCO[C@H](c3ccncc3)C1)OCCO2 ZINC000590660232 519305455 /nfs/dbraw/zinc/30/54/55/519305455.db2.gz QYPYQVGHMLRLBG-WBVHZDCISA-N 1 0 371.393 2.771 20 5 FFBDRO CC(C)[C@@H]1C[C@@H](C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCO1 ZINC000590658518 519305608 /nfs/dbraw/zinc/30/56/08/519305608.db2.gz PBKRWXHJTUKXEY-BBRMVZONSA-N 1 0 350.415 2.907 20 5 FFBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000590669319 519309408 /nfs/dbraw/zinc/30/94/08/519309408.db2.gz DOVBQLKAUWOFCU-AWEZNQCLSA-N 1 0 357.414 2.589 20 5 FFBDRO CN1CCC([N@@H+]2CC[C@@H](Nc3nccc4c3cccc4[N+](=O)[O-])C2)CC1 ZINC000590690073 519318101 /nfs/dbraw/zinc/31/81/01/519318101.db2.gz MXOXQRMBHCKCEE-CQSZACIVSA-N 1 0 355.442 2.723 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@](C)(C[NH3+])CC(C)C)cc1SC ZINC000571873556 519322295 /nfs/dbraw/zinc/32/22/95/519322295.db2.gz QJXSXYLUVYFQIG-INIZCTEOSA-N 1 0 355.460 2.819 20 5 FFBDRO O=[N+]([O-])c1cccc(S(=O)(=O)N2C[C@@H]3CCC[N@@H+]3Cc3ccccc32)c1 ZINC000577952361 519339074 /nfs/dbraw/zinc/33/90/74/519339074.db2.gz GGZCGLGGKFQWBI-INIZCTEOSA-N 1 0 373.434 2.768 20 5 FFBDRO O=[N+]([O-])c1cccnc1N1CC[NH+](C[C@@H]2CCOc3ccccc32)CC1 ZINC000590781109 519365518 /nfs/dbraw/zinc/36/55/18/519365518.db2.gz PLTPHQBWLYRMRS-HNNXBMFYSA-N 1 0 354.410 2.678 20 5 FFBDRO CS[C@@H]1CCC[C@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000571993728 519385869 /nfs/dbraw/zinc/38/58/69/519385869.db2.gz HKONDNMBBYFMHA-GXTWGEPZSA-N 1 0 358.485 2.632 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+](C)CCCOC(C)C ZINC000569175560 519413964 /nfs/dbraw/zinc/41/39/64/519413964.db2.gz PKWKGRLQBQKIFU-CYBMUJFWSA-N 1 0 353.419 2.677 20 5 FFBDRO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000583762000 519421886 /nfs/dbraw/zinc/42/18/86/519421886.db2.gz ICQZZDLWIJYEDH-CQSZACIVSA-N 1 0 353.419 2.890 20 5 FFBDRO CCO[C@@H]1C[C@@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C12CCCC2 ZINC000580979614 519458545 /nfs/dbraw/zinc/45/85/45/519458545.db2.gz GMMMWLDXGIUPFA-CGTJXYLNSA-N 1 0 364.442 2.662 20 5 FFBDRO COc1ccc(CNC(=O)Nc2cccc3c2CC[NH2+]C3)cc1[N+](=O)[O-] ZINC000583919877 519501389 /nfs/dbraw/zinc/50/13/89/519501389.db2.gz LZSQSIXRWPREAK-UHFFFAOYSA-N 1 0 356.382 2.571 20 5 FFBDRO CS(=O)(=O)c1ccc(N(CC[NH3+])CCC2CCCCC2)c([N+](=O)[O-])c1 ZINC000572324321 519555145 /nfs/dbraw/zinc/55/51/45/519555145.db2.gz RKBZCTRLIYXCRA-UHFFFAOYSA-N 1 0 369.487 2.734 20 5 FFBDRO O=[N+]([O-])c1cc(Br)cnc1N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000591444773 519626323 /nfs/dbraw/zinc/62/63/23/519626323.db2.gz TZPJRGDGTOGACK-QWRGUYRKSA-N 1 0 355.236 2.578 20 5 FFBDRO CCOc1cc(OC[C@@H](O)C[N@H+](C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000616179495 519934485 /nfs/dbraw/zinc/93/44/85/519934485.db2.gz DXRJXBCVRVOSCM-INIZCTEOSA-N 1 0 360.410 2.865 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000591529059 519939332 /nfs/dbraw/zinc/93/93/32/519939332.db2.gz NVVOVFQJYJIUOC-MRXNPFEDSA-N 1 0 361.442 2.539 20 5 FFBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594418465 519954516 /nfs/dbraw/zinc/95/45/16/519954516.db2.gz JFHOKYFIEFUCNC-ZWKOTPCHSA-N 1 0 360.458 2.920 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000594420533 519955521 /nfs/dbraw/zinc/95/55/21/519955521.db2.gz WGCQUQRGERUJIA-CVEARBPZSA-N 1 0 361.442 2.805 20 5 FFBDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)c3c(Br)cccc3[N+](=O)[O-])C2)C1 ZINC000599972442 519979706 /nfs/dbraw/zinc/97/97/06/519979706.db2.gz XPNGIMSYCFIIOY-OAHLLOKOSA-N 1 0 368.231 2.525 20 5 FFBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC(C)([NH+]2CCCC2)CC1 ZINC000602948573 519989288 /nfs/dbraw/zinc/98/92/88/519989288.db2.gz AMSKICOQPZYZBH-OAHLLOKOSA-N 1 0 360.458 2.872 20 5 FFBDRO C[C@H]1C[C@H](C)CN(c2ccc(C(=O)N3CC[NH2+]CC3(C)C)cc2[N+](=O)[O-])C1 ZINC000591677846 519994268 /nfs/dbraw/zinc/99/42/68/519994268.db2.gz HAKBLQVGFWMOQI-GJZGRUSLSA-N 1 0 374.485 2.901 20 5 FFBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000612529001 520005076 /nfs/dbraw/zinc/00/50/76/520005076.db2.gz YKFHWQRAIJKLBZ-QWRGUYRKSA-N 1 0 357.332 2.970 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@H]2CCc3ccccc3C2)c1 ZINC000591741458 520017578 /nfs/dbraw/zinc/01/75/78/520017578.db2.gz MCSBZCQAOSPELV-HNAYVOBHSA-N 1 0 356.422 2.729 20 5 FFBDRO O=[N+]([O-])c1ccc(CN2CCOCC2)cc1N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594604056 520048008 /nfs/dbraw/zinc/04/80/08/520048008.db2.gz XRPKZDRUBPUBKI-HKUYNNGSSA-N 1 0 374.485 2.856 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N3CCC4(C[NH+](C)C4)C3)cc2[N+](=O)[O-])CC1 ZINC000597570743 520110174 /nfs/dbraw/zinc/11/01/74/520110174.db2.gz BYCBSSGEFZEJOO-UHFFFAOYSA-N 1 0 372.469 2.609 20 5 FFBDRO Cn1cc(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000608836184 520141004 /nfs/dbraw/zinc/14/10/04/520141004.db2.gz NDFQMCOSAKMQIW-WMZOPIPTSA-N 1 0 355.442 2.712 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(Cn2cc(CC[NH+]3CCCCC3)nn2)c(F)c1 ZINC000603248765 520181185 /nfs/dbraw/zinc/18/11/85/520181185.db2.gz UADPYOGSQRSGRF-UHFFFAOYSA-N 1 0 351.357 2.541 20 5 FFBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000597700329 520185636 /nfs/dbraw/zinc/18/56/36/520185636.db2.gz MOWYXWNJSMWXQB-BBRMVZONSA-N 1 0 354.410 2.821 20 5 FFBDRO CCc1n[nH]c(C(=O)N2CCC3(CCC([NH+](C)C)CC3)CC2)c1[N+](=O)[O-] ZINC000597704306 520186943 /nfs/dbraw/zinc/18/69/43/520186943.db2.gz RUHJGUMRAWIZGX-UHFFFAOYSA-N 1 0 363.462 2.607 20 5 FFBDRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccc([N+](=O)[O-])c3cccnc13)C2 ZINC000597709747 520190221 /nfs/dbraw/zinc/19/02/21/520190221.db2.gz BBISPXPMSDFJKP-IBGZPJMESA-N 1 0 354.410 2.701 20 5 FFBDRO C[NH+](C)CC1CN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000597709266 520190532 /nfs/dbraw/zinc/19/05/32/520190532.db2.gz RXTLZSMXXZHBTD-UHFFFAOYSA-N 1 0 368.437 2.841 20 5 FFBDRO C[C@H](CN1CCCCC1)[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000594914043 520216214 /nfs/dbraw/zinc/21/62/14/520216214.db2.gz BRDULOMZQRRHRO-OAHLLOKOSA-N 1 0 357.458 2.959 20 5 FFBDRO Cc1ccc(C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC2CC2)cn1 ZINC000592145811 520224317 /nfs/dbraw/zinc/22/43/17/520224317.db2.gz CAICIYLPTXNIPJ-GOSISDBHSA-N 1 0 371.437 2.950 20 5 FFBDRO CN1CCN(Cc2ccccc2)[C@@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000594995026 520247366 /nfs/dbraw/zinc/24/73/66/520247366.db2.gz NBKVUGYDWYGVDZ-FQEVSTJZSA-N 1 0 354.454 2.501 20 5 FFBDRO COc1cc(C[NH2+]C[C@H]2CCN2Cc2ccccc2)c([N+](=O)[O-])cc1OC ZINC000594998004 520250011 /nfs/dbraw/zinc/25/00/11/520250011.db2.gz DQNJYNRDAWUKIR-QGZVFWFLSA-N 1 0 371.437 2.976 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C1CCN(c2cc(C)[nH]n2)CC1 ZINC000595043382 520266987 /nfs/dbraw/zinc/26/69/87/520266987.db2.gz XAUGMKFNEODRPE-CYBMUJFWSA-N 1 0 359.430 2.955 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCC[C@@H]2CN(C(C)=O)C[C@@H]21 ZINC000595046898 520268556 /nfs/dbraw/zinc/26/85/56/520268556.db2.gz CXHFOYVBTDUUCW-BAGBSZHRSA-N 1 0 361.442 2.901 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CCO[C@H](c2ccnn2C)C1 ZINC000595051832 520269922 /nfs/dbraw/zinc/26/99/22/520269922.db2.gz OSKVDYQBJCTULI-LXIYXOSZSA-N 1 0 360.414 2.908 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000597859166 520286943 /nfs/dbraw/zinc/28/69/43/520286943.db2.gz AJECOXGMBSPKCX-ZDUSSCGKSA-N 1 0 356.426 2.993 20 5 FFBDRO CCS(=O)(=O)C1(C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000595105181 520296512 /nfs/dbraw/zinc/29/65/12/520296512.db2.gz QSOXNANBIRDSPB-OAHLLOKOSA-N 1 0 352.456 2.874 20 5 FFBDRO CCOc1ccc([C@@H](C)[NH2+]C2CCN([C@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000595106579 520297225 /nfs/dbraw/zinc/29/72/25/520297225.db2.gz VKZIXAQCNATUIO-PBHICJAKSA-N 1 0 363.458 2.897 20 5 FFBDRO CCCc1n[nH]c(C(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000609476680 520323793 /nfs/dbraw/zinc/32/37/93/520323793.db2.gz YIALTOAPMGUINC-ZIAGYGMSSA-N 1 0 365.478 2.758 20 5 FFBDRO Cc1c(NC(=O)CC[NH2+][C@@](C)(CO)c2ccccc2)cccc1[N+](=O)[O-] ZINC000609483983 520326805 /nfs/dbraw/zinc/32/68/05/520326805.db2.gz YQESASVLRRFQKC-IBGZPJMESA-N 1 0 357.410 2.729 20 5 FFBDRO C[C@H]([NH3+])[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)CCO1 ZINC000592312350 520327556 /nfs/dbraw/zinc/32/75/56/520327556.db2.gz RPCYQNLBSHSOLR-SCLBCKFNSA-N 1 0 371.393 2.575 20 5 FFBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000592338179 520340387 /nfs/dbraw/zinc/34/03/87/520340387.db2.gz RLZJMWFXEKIBMC-LJQANCHMSA-N 1 0 368.437 2.790 20 5 FFBDRO CCN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C)C1 ZINC000597944993 520344040 /nfs/dbraw/zinc/34/40/40/520344040.db2.gz FZINUEJGPXUIFP-GFCCVEGCSA-N 1 0 356.220 2.524 20 5 FFBDRO CNc1ccc(C(=O)N2CC[C@H](c3ccccc3)[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000595221170 520356543 /nfs/dbraw/zinc/35/65/43/520356543.db2.gz NAEUYODPXDTWQI-HZPDHXFCSA-N 1 0 354.410 2.594 20 5 FFBDRO COc1cc(C(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)cc([N+](=O)[O-])c1C ZINC000595226134 520360598 /nfs/dbraw/zinc/36/05/98/520360598.db2.gz QGOPXGUEBIPPMH-GDBMZVCRSA-N 1 0 361.442 2.906 20 5 FFBDRO CCOc1ccc(C(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000595226637 520361236 /nfs/dbraw/zinc/36/12/36/520361236.db2.gz XJIPNZMKKLZWNN-JKSUJKDBSA-N 1 0 361.442 2.988 20 5 FFBDRO COc1ccc(NC(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000595230909 520363448 /nfs/dbraw/zinc/36/34/48/520363448.db2.gz HKWLCQADVZSSGA-AWEZNQCLSA-N 1 0 362.430 2.847 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCCN(c3ccccc3)CC2)c1 ZINC000603844640 520374435 /nfs/dbraw/zinc/37/44/35/520374435.db2.gz WFKGBVQTTWDKGO-LJQANCHMSA-N 1 0 371.437 2.547 20 5 FFBDRO [NH3+][C@@H]1CN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)CC[C@H]1F ZINC000595260924 520377320 /nfs/dbraw/zinc/37/73/20/520377320.db2.gz NLIJTBDZEBWZFB-HUUCEWRRSA-N 1 0 358.373 2.850 20 5 FFBDRO Cc1c(CC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000595268408 520380190 /nfs/dbraw/zinc/38/01/90/520380190.db2.gz JCNZTTODJGHYHD-QZTJIDSGSA-N 1 0 353.422 2.708 20 5 FFBDRO CC[N@H+](CCNc1ncnc2ccc([N+](=O)[O-])cc21)CCC(F)(F)F ZINC000617210271 520380692 /nfs/dbraw/zinc/38/06/92/520380692.db2.gz FUXWQCZCILFRLR-UHFFFAOYSA-N 1 0 357.336 2.646 20 5 FFBDRO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N[C@H]1CC[NH2+]C12CCCC2 ZINC000592422835 520384894 /nfs/dbraw/zinc/38/48/94/520384894.db2.gz NGUZXMDXVMDJRX-ZDUSSCGKSA-N 1 0 370.356 2.992 20 5 FFBDRO CCN(C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)[C@H]1CC[N@H+](CC)C1 ZINC000598040182 520389221 /nfs/dbraw/zinc/38/92/21/520389221.db2.gz DKBRTWDPAMMACX-INIZCTEOSA-N 1 0 360.458 2.751 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2noc(CN3CCC[C@H]([C@H]4CCC[NH2+]4)C3)n2)cc1 ZINC000592478412 520406844 /nfs/dbraw/zinc/40/68/44/520406844.db2.gz APRVUNOHHGYVIQ-GOEBONIOSA-N 1 0 357.414 2.609 20 5 FFBDRO CCc1ccc([C@H](NCC2([NH3+])CCOCC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000600706148 520411305 /nfs/dbraw/zinc/41/13/05/520411305.db2.gz DFEMDKUNFAMDCF-GOSISDBHSA-N 1 0 359.426 2.937 20 5 FFBDRO COc1cc(CN2CC[NH2+]C[C@H]2C(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000600713657 520414287 /nfs/dbraw/zinc/41/42/87/520414287.db2.gz DGSGFNMSBRCRSP-ZDUSSCGKSA-N 1 0 359.373 2.635 20 5 FFBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000609851102 520457345 /nfs/dbraw/zinc/45/73/45/520457345.db2.gz ALNFYMKIKCYMLG-QGZVFWFLSA-N 1 0 374.485 2.802 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC000592571395 520460002 /nfs/dbraw/zinc/46/00/02/520460002.db2.gz ZDZHOZZKTWPUHX-NHYWBVRUSA-N 1 0 367.833 2.806 20 5 FFBDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000598265348 520529042 /nfs/dbraw/zinc/52/90/42/520529042.db2.gz SGNCOHUQPFKLAD-CQSZACIVSA-N 1 0 356.426 2.993 20 5 FFBDRO COCC[C@H]1CCCC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000613503379 520533868 /nfs/dbraw/zinc/53/38/68/520533868.db2.gz QZYJAJBHOCHWDB-CRAIPNDOSA-N 1 0 361.442 2.839 20 5 FFBDRO C[C@H](CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C[NH+]1CCCCC1 ZINC000604439044 520563202 /nfs/dbraw/zinc/56/32/02/520563202.db2.gz WQUAHISHPUACAI-OAHLLOKOSA-N 1 0 371.441 2.632 20 5 FFBDRO CC(C)C[NH+]1CCN(C(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000604445354 520565719 /nfs/dbraw/zinc/56/57/19/520565719.db2.gz XZAUDKGJVMUBFG-CYBMUJFWSA-N 1 0 369.849 2.816 20 5 FFBDRO C[NH+](C)CCN(Cc1ccccc1)C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000604483422 520575246 /nfs/dbraw/zinc/57/52/46/520575246.db2.gz IQFOVQHJXWSUPW-UHFFFAOYSA-N 1 0 371.393 2.528 20 5 FFBDRO CC(C)c1ccc(C[NH2+][C@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)cc1[N+](=O)[O-] ZINC000610272444 520616715 /nfs/dbraw/zinc/61/67/15/520616715.db2.gz SSUPUXXMRMZZDA-GUYCJALGSA-N 1 0 371.441 2.735 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000592881786 520631391 /nfs/dbraw/zinc/63/13/91/520631391.db2.gz NKTZHEGEDYJUAX-APWZRJJASA-N 1 0 353.422 2.978 20 5 FFBDRO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000601121991 520646951 /nfs/dbraw/zinc/64/69/51/520646951.db2.gz UHZYCVGMLINUCY-NSHDSACASA-N 1 0 361.368 2.659 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@H](c3cc4ccccc4[nH]3)C2)c1 ZINC000610392182 520663243 /nfs/dbraw/zinc/66/32/43/520663243.db2.gz ALPZMZZSBXXEMV-DOTOQJQBSA-N 1 0 369.425 2.513 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C[C@@H](C)O)C2CCCCC2)c1 ZINC000593012430 520684278 /nfs/dbraw/zinc/68/42/78/520684278.db2.gz XDKKXIWRCUAKIA-CYBMUJFWSA-N 1 0 350.415 2.897 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c1 ZINC000593026448 520691025 /nfs/dbraw/zinc/69/10/25/520691025.db2.gz BSAZKDCNKRHAJU-UAGQMJEPSA-N 1 0 360.410 2.819 20 5 FFBDRO COc1ccc2c(c1)CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C2 ZINC000595758745 520703516 /nfs/dbraw/zinc/70/35/16/520703516.db2.gz FNAJPRCPPBMNIO-UHFFFAOYSA-N 1 0 355.394 2.990 20 5 FFBDRO CC(C)[C@@H]1CN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000598572075 520717046 /nfs/dbraw/zinc/71/70/46/520717046.db2.gz KTZMPJMYICBJAQ-LBPRGKRZSA-N 1 0 357.863 2.797 20 5 FFBDRO COC[C@](C)(CO)[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000610518955 520726100 /nfs/dbraw/zinc/72/61/00/520726100.db2.gz AMPIBVZAMYGYTN-IBGZPJMESA-N 1 0 359.426 2.850 20 5 FFBDRO C[N@@H+]1CCN(CCOc2cccc([N+](=O)[O-])c2)[C@@H](Cc2ccccc2)C1 ZINC000593088502 520735312 /nfs/dbraw/zinc/73/53/12/520735312.db2.gz FMMJHHBRNWWRLQ-IBGZPJMESA-N 1 0 355.438 2.832 20 5 FFBDRO C[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCC(F)CC1 ZINC000595817750 520744360 /nfs/dbraw/zinc/74/43/60/520744360.db2.gz CALGCIQENLUNGK-HSBZDZAISA-N 1 0 358.435 2.875 20 5 FFBDRO COC(=O)c1ccnc(NC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000598632025 520752763 /nfs/dbraw/zinc/75/27/63/520752763.db2.gz YKKHAIDODUESLB-ZBFHGGJFSA-N 1 0 370.409 2.534 20 5 FFBDRO O=C(Cc1ccc(F)cc1[N+](=O)[O-])NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000593144391 520778328 /nfs/dbraw/zinc/77/83/28/520778328.db2.gz BYYIWPXUMURWKI-INIZCTEOSA-N 1 0 371.412 2.915 20 5 FFBDRO Cc1c(NC(=O)[C@H](C)N2CCC([C@H]3CCC[NH2+]C3)CC2)cccc1[N+](=O)[O-] ZINC000595900939 520807385 /nfs/dbraw/zinc/80/73/85/520807385.db2.gz PKUQIIQWVLHSOX-RDJZCZTQSA-N 1 0 374.485 2.942 20 5 FFBDRO [NH3+]CC12CC(C1)CN2C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000595945418 520836026 /nfs/dbraw/zinc/83/60/26/520836026.db2.gz MYJRIEGABLLUNX-UHFFFAOYSA-N 1 0 352.394 2.902 20 5 FFBDRO C[C@H]1C[C@H](C)CN(c2ccc(C(=O)NCC34CC(C3)C[NH2+]4)cc2[N+](=O)[O-])C1 ZINC000595951756 520836279 /nfs/dbraw/zinc/83/62/79/520836279.db2.gz QSTYFXCCBRNHRD-NTBNARMZSA-N 1 0 372.469 2.559 20 5 FFBDRO O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000601555875 520838147 /nfs/dbraw/zinc/83/81/47/520838147.db2.gz HUQKLMSHYIFUBN-CZUORRHYSA-N 1 0 372.450 2.932 20 5 FFBDRO Nc1ccc(N2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)nc1[N+](=O)[O-] ZINC000596015928 520860519 /nfs/dbraw/zinc/86/05/19/520860519.db2.gz KAROWRCRJVNASJ-WBVHZDCISA-N 1 0 355.442 2.749 20 5 FFBDRO C[NH+]1CCC2(CC1)C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)c1ccccc1O2 ZINC000610899537 520898097 /nfs/dbraw/zinc/89/80/97/520898097.db2.gz ZELVLEVDAJILIJ-MRXNPFEDSA-N 1 0 370.409 2.641 20 5 FFBDRO C[C@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000610903575 520899175 /nfs/dbraw/zinc/89/91/75/520899175.db2.gz BPDMNCAGCOZYDX-SNVBAGLBSA-N 1 0 356.220 2.571 20 5 FFBDRO NC(=O)c1cc(NC2CC[NH+](CCc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000596078698 520899596 /nfs/dbraw/zinc/89/95/96/520899596.db2.gz XKHCSCYRXKEMDQ-UHFFFAOYSA-N 1 0 368.437 2.813 20 5 FFBDRO COc1cccc([C@H](C)N2CCN(c3cc[nH]c(=O)c3[N+](=O)[O-])CC2)c1 ZINC000596106403 520916531 /nfs/dbraw/zinc/91/65/31/520916531.db2.gz AQNLNOZZYALSKU-ZDUSSCGKSA-N 1 0 358.398 2.587 20 5 FFBDRO COC(=O)c1c(Cl)c(N2CCC[N@@H+](C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000596110401 520917792 /nfs/dbraw/zinc/91/77/92/520917792.db2.gz NDYMPUIOWKSKQM-UHFFFAOYSA-N 1 0 355.822 2.955 20 5 FFBDRO C[C@H](c1ccncc1)[NH+]1CCC(Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596171052 520950732 /nfs/dbraw/zinc/95/07/32/520950732.db2.gz DHAWKVAZENVRAV-CYBMUJFWSA-N 1 0 369.425 2.726 20 5 FFBDRO CS[C@H]1CN(c2c(Br)cccc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000596181325 520957610 /nfs/dbraw/zinc/95/76/10/520957610.db2.gz ZWABKNFUQKNYCS-RYUDHWBXSA-N 1 0 360.277 2.839 20 5 FFBDRO O=[N+]([O-])c1cc2c(cc1CNC[C@@H]1CC[N@@H+]1C1CCCCC1)OCCO2 ZINC000598991747 520963662 /nfs/dbraw/zinc/96/36/62/520963662.db2.gz FMCMZUJPLLAUMA-INIZCTEOSA-N 1 0 361.442 2.863 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCN3CC[C@@H](O)C3)o2)c(Cl)c1 ZINC000599009334 520977523 /nfs/dbraw/zinc/97/75/23/520977523.db2.gz JNVZDBBIHJSSSS-CYBMUJFWSA-N 1 0 365.817 2.664 20 5 FFBDRO C[N@@H+]1CCN(CCNc2c(Br)cccc2[N+](=O)[O-])CC1(C)C ZINC000596223605 520979024 /nfs/dbraw/zinc/97/90/24/520979024.db2.gz SSQBNARAFXTMRE-UHFFFAOYSA-N 1 0 371.279 2.795 20 5 FFBDRO COc1cc[nH+]c(N2CCN(c3ccc4cnccc4c3[N+](=O)[O-])CC2)c1 ZINC000599039315 520993569 /nfs/dbraw/zinc/99/35/69/520993569.db2.gz RGCHSOFWNQRUNZ-UHFFFAOYSA-N 1 0 365.393 2.873 20 5 FFBDRO CC(C)[NH2+]C1(CO)CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000596251398 520994836 /nfs/dbraw/zinc/99/48/36/520994836.db2.gz SFBCNJQWXJZEEF-UHFFFAOYSA-N 1 0 361.364 2.943 20 5 FFBDRO O=[N+]([O-])c1cnc2ccccc2c1N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000596269633 521003108 /nfs/dbraw/zinc/00/31/08/521003108.db2.gz WEOFBPNLHVPPDN-UHFFFAOYSA-N 1 0 356.426 2.834 20 5 FFBDRO CCN1CC[NH+](C[C@@H](C)CNc2ccnc3cc([N+](=O)[O-])ccc32)CC1 ZINC000593454864 521004061 /nfs/dbraw/zinc/00/40/61/521004061.db2.gz NNEWNIJUYXKQJK-HNNXBMFYSA-N 1 0 357.458 2.829 20 5 FFBDRO C[C@@H]1C[NH+](C[C@H]2CCCN2c2ncnc3ccc([N+](=O)[O-])cc32)C[C@@H](C)O1 ZINC000614517846 521005963 /nfs/dbraw/zinc/00/59/63/521005963.db2.gz BWTBAAPNIBTWLK-IIAWOOMASA-N 1 0 371.441 2.616 20 5 FFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CCCN1CC(F)F ZINC000599066148 521011021 /nfs/dbraw/zinc/01/10/21/521011021.db2.gz RJWXALVRZXEBOZ-IUODEOHRSA-N 1 0 370.400 2.631 20 5 FFBDRO CCC[C@@H]([NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000599073076 521016130 /nfs/dbraw/zinc/01/61/30/521016130.db2.gz NTZIKEMDRTWFLS-BRWVUGGUSA-N 1 0 369.487 2.886 20 5 FFBDRO CCOC(=O)c1ccnc(NC[C@H]2CC[N@@H+](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000596307318 521018824 /nfs/dbraw/zinc/01/88/24/521018824.db2.gz KNPFHTINFNPPOT-GFCCVEGCSA-N 1 0 350.419 2.699 20 5 FFBDRO CCOC(=O)c1ccnc(NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000596307319 521018955 /nfs/dbraw/zinc/01/89/55/521018955.db2.gz KNPFHTINFNPPOT-LBPRGKRZSA-N 1 0 350.419 2.699 20 5 FFBDRO [NH3+]C[C@@H]1CCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c2ccccc21 ZINC000601963031 521045227 /nfs/dbraw/zinc/04/52/27/521045227.db2.gz JFAYDDWPNKYCKD-IFXJQAMLSA-N 1 0 366.421 2.653 20 5 FFBDRO CC1([NH+]2CCOCC2)CCN(c2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000599161520 521062855 /nfs/dbraw/zinc/06/28/55/521062855.db2.gz ZIBVNBZJHBYFSR-UHFFFAOYSA-N 1 0 356.426 2.834 20 5 FFBDRO O=[N+]([O-])c1ccccc1-c1ccc(CN2CC[NH+]([C@H]3CCC[C@H]3O)CC2)o1 ZINC000611268460 521067899 /nfs/dbraw/zinc/06/78/99/521067899.db2.gz SMDDSUQCQJTICH-RBUKOAKNSA-N 1 0 371.437 2.886 20 5 FFBDRO Cn1ccnc1[C@@H](N[C@H]1CC[NH2+]CC(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000602023516 521084226 /nfs/dbraw/zinc/08/42/26/521084226.db2.gz YVCWCIGIOUADBV-RDJZCZTQSA-N 1 0 357.458 2.786 20 5 FFBDRO Cc1cc(N2CC[C@@H](N(C)C(=O)N(C)C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000596517950 521112007 /nfs/dbraw/zinc/11/20/07/521112007.db2.gz GQOGWGCQRONIAG-CQSZACIVSA-N 1 0 357.414 2.644 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000611350403 521112978 /nfs/dbraw/zinc/11/29/78/521112978.db2.gz LACVHEBUQMJPKX-HOTGVXAUSA-N 1 0 361.442 2.980 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1C(F)(F)F ZINC000596541604 521124141 /nfs/dbraw/zinc/12/41/41/521124141.db2.gz ZVNJWJYOZMJBRG-CYBMUJFWSA-N 1 0 359.348 2.649 20 5 FFBDRO COC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000593673458 521143863 /nfs/dbraw/zinc/14/38/63/521143863.db2.gz YLAPGLRXXDBHAC-ZWKOTPCHSA-N 1 0 371.437 2.944 20 5 FFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(-c2nncnn2)cc1 ZINC000593693279 521160525 /nfs/dbraw/zinc/16/05/25/521160525.db2.gz KKCGQOSQVQNWDK-CQSZACIVSA-N 1 0 364.409 2.953 20 5 FFBDRO Cc1cc(N2CC[NH+](C[C@H]3CCCO3)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000611444582 521162243 /nfs/dbraw/zinc/16/22/43/521162243.db2.gz GYAHBNYWOFSGBW-OAHLLOKOSA-N 1 0 356.426 2.752 20 5 FFBDRO C[C@H]1CCCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@H]1CC[NH3+] ZINC000593735006 521182929 /nfs/dbraw/zinc/18/29/29/521182929.db2.gz TWMRNAURFYPEDF-NHYWBVRUSA-N 1 0 354.838 2.636 20 5 FFBDRO CCO[C@@H]1CN(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000593762037 521199877 /nfs/dbraw/zinc/19/98/77/521199877.db2.gz ZUZKVWYVANAKEC-MLGOLLRUSA-N 1 0 364.446 2.720 20 5 FFBDRO Cc1cc(NC(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)ccc1[N+](=O)[O-] ZINC000593763057 521200960 /nfs/dbraw/zinc/20/09/60/521200960.db2.gz CXUPDHJXCBUHMR-VBQJREDUSA-N 1 0 362.430 2.653 20 5 FFBDRO Nc1cc(NC[C@@H](c2ccco2)[NH+]2CCCCC2)cc(CO)c1[N+](=O)[O-] ZINC000611525049 521201858 /nfs/dbraw/zinc/20/18/58/521201858.db2.gz GMICYAKSYQATQQ-INIZCTEOSA-N 1 0 360.414 2.901 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H](OC(F)F)C1 ZINC000611577217 521230964 /nfs/dbraw/zinc/23/09/64/521230964.db2.gz GRMWMMWMSVPYRU-GFCCVEGCSA-N 1 0 373.356 2.636 20 5 FFBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC000602291269 521263157 /nfs/dbraw/zinc/26/31/57/521263157.db2.gz KMMMPWIRIWFLBW-QAPCUYQASA-N 1 0 357.454 2.959 20 5 FFBDRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(C(=O)c3c(Cl)cccc3[N+](=O)[O-])C2)C1 ZINC000593910680 521287809 /nfs/dbraw/zinc/28/78/09/521287809.db2.gz BDDHLZRHMWTJOG-YWPYICTPSA-N 1 0 367.833 2.607 20 5 FFBDRO [NH3+]Cc1ccc(CNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)c(F)c1 ZINC000593914824 521288522 /nfs/dbraw/zinc/28/85/22/521288522.db2.gz GCYUGQRHKRAPKG-UHFFFAOYSA-N 1 0 360.389 2.701 20 5 FFBDRO C[NH+](C)Cc1cc(CNc2ncnc3ccc([N+](=O)[O-])cc32)ccc1F ZINC000611709707 521291968 /nfs/dbraw/zinc/29/19/68/521291968.db2.gz VWEBPQGGWQTGJA-UHFFFAOYSA-N 1 0 355.373 2.773 20 5 FFBDRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000593920151 521292593 /nfs/dbraw/zinc/29/25/93/521292593.db2.gz YKNBVUYGEUCHJJ-LYRGGWFBSA-N 1 0 367.833 2.749 20 5 FFBDRO C[NH+](C)CCOc1ccccc1CNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611710448 521292541 /nfs/dbraw/zinc/29/25/41/521292541.db2.gz UCWBYEDLUTXJSF-UHFFFAOYSA-N 1 0 367.409 2.512 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@]2(CO)CCCC(C)(C)C2)c1 ZINC000599594855 521317170 /nfs/dbraw/zinc/31/71/70/521317170.db2.gz MIKSTIQUOQCSBG-SFHVURJKSA-N 1 0 350.415 2.802 20 5 FFBDRO CC[C@@H]1CN(C(=O)c2c(Br)cccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000602492594 521377801 /nfs/dbraw/zinc/37/78/01/521377801.db2.gz NCWUVHZNVOAFMP-KOLCDFICSA-N 1 0 356.220 2.557 20 5 FFBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H](CCO)c2cc(Cl)cc(Cl)c2)c1 ZINC000599667077 521379059 /nfs/dbraw/zinc/37/90/59/521379059.db2.gz PTSHFHOEGRXHDP-AWEZNQCLSA-N 1 0 359.213 2.811 20 5 FFBDRO O=C(NCC[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccco1 ZINC000602506694 521385155 /nfs/dbraw/zinc/38/51/55/521385155.db2.gz KZZJFYUNEBZTTE-UHFFFAOYSA-N 1 0 357.288 2.726 20 5 FFBDRO O=C(N[C@@H]1CC[NH2+]C2(CCC2)C1)c1c(Br)cccc1[N+](=O)[O-] ZINC000602512412 521388730 /nfs/dbraw/zinc/38/87/30/521388730.db2.gz BBIDLRKCXXXQMW-SNVBAGLBSA-N 1 0 368.231 2.762 20 5 FFBDRO COc1ccc(CC[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1F ZINC000602534298 521399248 /nfs/dbraw/zinc/39/92/48/521399248.db2.gz IIFLXGJYTBAZIA-UHFFFAOYSA-N 1 0 374.416 2.939 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](C)c1cnccc1C ZINC000611940141 521402704 /nfs/dbraw/zinc/40/27/04/521402704.db2.gz UEQCOCLXHPWZOP-ZDUSSCGKSA-N 1 0 358.398 2.986 20 5 FFBDRO O=[N+]([O-])c1sc(C[NH2+]CCOC[C@@H]2CCCO2)cc1Br ZINC000602544897 521403953 /nfs/dbraw/zinc/40/39/53/521403953.db2.gz BGLJYQZRFSGEBI-VIFPVBQESA-N 1 0 365.249 2.704 20 5 FFBDRO CS[C@H](CO)[C@H](C)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602555648 521409277 /nfs/dbraw/zinc/40/92/77/521409277.db2.gz GWJMXVNRCPFMKT-IMTBSYHQSA-N 1 0 355.279 2.621 20 5 FFBDRO C[C@@H](Cn1ncc2ccccc2c1=O)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602577919 521418222 /nfs/dbraw/zinc/41/82/22/521418222.db2.gz QYOCZCNUCUCHAQ-AWEZNQCLSA-N 1 0 352.394 2.526 20 5 FFBDRO C[C@H](Cn1ncc2ccccc2c1=O)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602577921 521419998 /nfs/dbraw/zinc/41/99/98/521419998.db2.gz QYOCZCNUCUCHAQ-CQSZACIVSA-N 1 0 352.394 2.526 20 5 FFBDRO CN1Cc2ccccc2[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000602581842 521423576 /nfs/dbraw/zinc/42/35/76/521423576.db2.gz SFABONDATFFFDJ-LJQANCHMSA-N 1 0 367.453 2.735 20 5 FFBDRO CN(C)c1ccccc1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602593063 521429993 /nfs/dbraw/zinc/42/99/93/521429993.db2.gz HGJJMBHIWIYQST-UHFFFAOYSA-N 1 0 355.442 2.814 20 5 FFBDRO CCO[C@H]1COCC[C@@H]1[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602612618 521438271 /nfs/dbraw/zinc/43/82/71/521438271.db2.gz HZBXQZNYOGHOAA-QWRGUYRKSA-N 1 0 365.249 2.702 20 5 FFBDRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000594195164 521460518 /nfs/dbraw/zinc/46/05/18/521460518.db2.gz CNIPVYMHZYGHGK-NVXWUHKLSA-N 1 0 354.410 2.890 20 5 FFBDRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000594199244 521464261 /nfs/dbraw/zinc/46/42/61/521464261.db2.gz IHWVGXQXVXBBLG-NVXWUHKLSA-N 1 0 358.442 2.916 20 5 FFBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594204004 521469399 /nfs/dbraw/zinc/46/93/99/521469399.db2.gz WJHNFRMIFVCGLA-AEFFLSMTSA-N 1 0 356.426 2.683 20 5 FFBDRO Cn1cc(C[N@H+](C)CCc2cccc(Br)c2)c([N+](=O)[O-])n1 ZINC000602676978 521475520 /nfs/dbraw/zinc/47/55/20/521475520.db2.gz OSDZAXKFPDFQAX-UHFFFAOYSA-N 1 0 353.220 2.765 20 5 FFBDRO CC1CC[NH+](CCNC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)CC1 ZINC000597094469 521501017 /nfs/dbraw/zinc/50/10/17/521501017.db2.gz HQZSEGCUKJRFMI-UHFFFAOYSA-N 1 0 355.826 2.684 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000602781633 521529866 /nfs/dbraw/zinc/52/98/66/521529866.db2.gz UTWZJAQEFILEFV-HNNXBMFYSA-N 1 0 360.389 2.834 20 5 FFBDRO COC(=O)C(C)(C)[C@@H]([NH2+]CCn1c(C)ncc1[N+](=O)[O-])c1ccccc1 ZINC000602806477 521544517 /nfs/dbraw/zinc/54/45/17/521544517.db2.gz UMRYJWNGBBQQAY-INIZCTEOSA-N 1 0 360.414 2.630 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000602823586 521553356 /nfs/dbraw/zinc/55/33/56/521553356.db2.gz XGOKVPIKLNGBEQ-UHFFFAOYSA-N 1 0 360.389 2.834 20 5 FFBDRO Cc1ccc(Sc2ccc(C[NH2+]C[C@](C)(O)CO)cc2[N+](=O)[O-])cc1 ZINC000619464301 521581996 /nfs/dbraw/zinc/58/19/96/521581996.db2.gz PGMWLCUJQUKBSO-SFHVURJKSA-N 1 0 362.451 2.887 20 5 FFBDRO O=[N+]([O-])c1cc2ccccc2nc1N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000616055627 521612813 /nfs/dbraw/zinc/61/28/13/521612813.db2.gz FFDJJPHWHSHTTF-INIZCTEOSA-N 1 0 356.426 2.834 20 5 FFBDRO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000516507705 562045360 /nfs/dbraw/zinc/04/53/60/562045360.db2.gz BYIROTNMQKIHCP-UHFFFAOYSA-N 1 0 359.292 2.635 20 5 FFBDRO COc1ccc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)cc1-c1nn[nH]n1 ZINC000826201643 608286542 /nfs/dbraw/zinc/28/65/42/608286542.db2.gz AEDWKIFOGYRUTJ-GFCCVEGCSA-N 1 0 368.397 2.943 20 5 FFBDRO C[C@H]([NH2+]CCCOc1ccc(-c2nn[nH]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000824593712 608468484 /nfs/dbraw/zinc/46/84/84/608468484.db2.gz SEPWHAJZRTWYEO-ZDUSSCGKSA-N 1 0 368.397 2.895 20 5 FFBDRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000826184197 608553415 /nfs/dbraw/zinc/55/34/15/608553415.db2.gz NWNWKAVWOWAZGF-LBPRGKRZSA-N 1 0 368.397 2.943 20 5 FFBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164625856 719086950 /nfs/dbraw/zinc/08/69/50/719086950.db2.gz HESZIOCQDDWPKB-HKUYNNGSSA-N 1 0 368.437 2.637 20 5 FFBDRO CC(C)[N@H+]1[C@@H]2CCN(c3cccc([N+](=O)[O-])n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164832954 720519525 /nfs/dbraw/zinc/51/95/25/720519525.db2.gz CCNMASFKISGJEX-YESZJQIVSA-N 1 0 370.457 2.564 20 5 FFBDRO Cc1cnc(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@@H]2C)c([N+](=O)[O-])c1 ZINC001164859711 720925425 /nfs/dbraw/zinc/92/54/25/720925425.db2.gz PKUGKAJBLRBWQS-AWEZNQCLSA-N 1 0 358.446 2.916 20 5 FFBDRO CC[NH+](CC)C[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000159097590 728900671 /nfs/dbraw/zinc/90/06/71/728900671.db2.gz BZGWJFCBUYKJFP-JTQLQIEISA-N 1 0 358.236 2.817 20 5 FFBDRO Cn1cc([C@@]2(C[NH2+]Cc3cc(Cl)ccc3[N+](=O)[O-])CCCO2)cn1 ZINC000898058038 735308259 /nfs/dbraw/zinc/30/82/59/735308259.db2.gz JHBOFXWHEWMWQZ-INIZCTEOSA-N 1 0 350.806 2.777 20 5 FFBDRO CN(CC1C[NH+](C)C1)C(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000898719998 735398881 /nfs/dbraw/zinc/39/88/81/735398881.db2.gz GMWJROHYKUATDW-UHFFFAOYSA-N 1 0 350.177 2.674 20 5 FFBDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000066139809 728166787 /nfs/dbraw/zinc/16/67/87/728166787.db2.gz GFAYXVLANPXFLG-JTQLQIEISA-N 1 0 352.391 2.580 20 5 FFBDRO CC[NH+](CC)[C@H]1CCN([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000072834534 728213995 /nfs/dbraw/zinc/21/39/95/728213995.db2.gz AICDPUXXUUTMRU-JSGCOSHPSA-N 1 0 368.865 2.991 20 5 FFBDRO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)NCCCCC[NH+]1CCCCC1 ZINC000111357433 728536075 /nfs/dbraw/zinc/53/60/75/728536075.db2.gz RRNPIWLSZRMSCX-UHFFFAOYSA-N 1 0 373.450 2.668 20 5 FFBDRO CC[N@H+](C)Cc1cccc(CNS(=O)(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000119634686 728597560 /nfs/dbraw/zinc/59/75/60/728597560.db2.gz FPSCKDSKDXQCKI-UHFFFAOYSA-N 1 0 369.468 2.587 20 5 FFBDRO Cc1csc(Sc2ccc(C(=O)NC[C@@H](C)[NH3+])cc2[N+](=O)[O-])n1 ZINC000194884696 729523854 /nfs/dbraw/zinc/52/38/54/729523854.db2.gz LSJSWLHHAYKGFU-MRVPVSSYSA-N 1 0 352.441 2.588 20 5 FFBDRO COc1cc(CN2CC[C@@]3(CCC[NH2+]3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000415141003 729851465 /nfs/dbraw/zinc/85/14/65/729851465.db2.gz OEWAWJSBQPYWGM-INIZCTEOSA-N 1 0 357.357 2.533 20 5 FFBDRO CCC[N@H+](C)CC(C)(C)NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000856282144 730321084 /nfs/dbraw/zinc/32/10/84/730321084.db2.gz QBJQSZWBOMICTP-UHFFFAOYSA-N 1 0 352.391 2.662 20 5 FFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1CCC[C@@H](C(=O)N(C)C)C1 ZINC000866267870 731045033 /nfs/dbraw/zinc/04/50/33/731045033.db2.gz XZCJTYZSGREPRV-XPKDYRNWSA-N 1 0 351.422 2.902 20 5 FFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000866299424 731047851 /nfs/dbraw/zinc/04/78/51/731047851.db2.gz KPHSWULHOGFURG-DFBGVHRSSA-N 1 0 358.435 2.610 20 5 FFBDRO C[C@@H](NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)C1CC[NH2+]CC1 ZINC000868002112 731250398 /nfs/dbraw/zinc/25/03/98/731250398.db2.gz KPOIRDXOZGUZIS-LLVKDONJSA-N 1 0 360.439 2.836 20 5 FFBDRO C[C@@H]([NH2+]C[C@@]1(N2CCOCC2)CCSC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872028105 731722081 /nfs/dbraw/zinc/72/20/81/731722081.db2.gz PFQINWDTSPBYNN-DYVFJYSZSA-N 1 0 369.462 2.592 20 5 FFBDRO [NH3+]C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC[C@H]1C(F)(F)F ZINC000877015708 732312401 /nfs/dbraw/zinc/31/24/01/732312401.db2.gz AHYBHSIZMVQTPL-VHSXEESVSA-N 1 0 365.739 2.848 20 5 FFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@@H]3CCOC4(CCSCC4)C3)C2)c1 ZINC000877117377 732325167 /nfs/dbraw/zinc/32/51/67/732325167.db2.gz XFWCCUFYZLOQTQ-IYXRBSQSSA-N 1 0 352.460 2.529 20 5 FFBDRO O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877283346 732340212 /nfs/dbraw/zinc/34/02/12/732340212.db2.gz WDMODYBIHWKOHZ-ZFWWWQNUSA-N 1 0 358.423 2.685 20 5 FFBDRO CSc1ccc(C(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000877367712 732353012 /nfs/dbraw/zinc/35/30/12/732353012.db2.gz QDNZVSJFASDNKX-NXEZZACHSA-N 1 0 363.361 2.526 20 5 FFBDRO CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000877608631 732397732 /nfs/dbraw/zinc/39/77/32/732397732.db2.gz XSWINDXCVVUBAF-HNNXBMFYSA-N 1 0 359.348 2.712 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(CN2CCC[C@H]([NH2+]C3CCOCC3)C2)c(F)c1 ZINC000880207222 732865657 /nfs/dbraw/zinc/86/56/57/732865657.db2.gz VHIRNCRQDYJMGG-ZDUSSCGKSA-N 1 0 355.385 2.606 20 5 FFBDRO CO[C@H]1COCC[C@@H]1[N@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000880435215 732907416 /nfs/dbraw/zinc/90/74/16/732907416.db2.gz KGUYBUYTQIPRKJ-JSGCOSHPSA-N 1 0 359.220 2.593 20 5 FFBDRO O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000881469687 733059033 /nfs/dbraw/zinc/05/90/33/733059033.db2.gz MKKIBPGIWIQFTI-AWEZNQCLSA-N 1 0 367.833 2.621 20 5 FFBDRO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000881472250 733059468 /nfs/dbraw/zinc/05/94/68/733059468.db2.gz NNOALWUSWXHZKM-OAHLLOKOSA-N 1 0 367.833 2.621 20 5 FFBDRO CC1(C)O[C@@H]2C[C@@H]([NH2+][C@H]3CCCC[C@H]3n3ccc([N+](=O)[O-])n3)C[C@@H]2O1 ZINC000927056602 738686798 /nfs/dbraw/zinc/68/67/98/738686798.db2.gz LCWXHLAHWPLFGW-SBJFKYEJSA-N 1 0 350.419 2.547 20 5 FFBDRO CCC(=O)N1CCC([NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000883288004 733360365 /nfs/dbraw/zinc/36/03/65/733360365.db2.gz NYLINSWGYWMVJW-UHFFFAOYSA-N 1 0 370.247 2.848 20 5 FFBDRO C[C@H]1CN(c2cc[nH+]cc2)CCN1c1ncnc2sc([N+](=O)[O-])cc21 ZINC000884853071 733582160 /nfs/dbraw/zinc/58/21/60/733582160.db2.gz DUCNDKIWPDBMGB-NSHDSACASA-N 1 0 356.411 2.710 20 5 FFBDRO C[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000886294653 733771172 /nfs/dbraw/zinc/77/11/72/733771172.db2.gz DQEBATMFRYWXMF-ABAIWWIYSA-N 1 0 366.464 2.846 20 5 FFBDRO CS(=O)(=O)Nc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)cc1 ZINC000783594858 738817922 /nfs/dbraw/zinc/81/79/22/738817922.db2.gz HXKDYHMVGAAVMZ-UHFFFAOYSA-N 1 0 369.830 2.910 20 5 FFBDRO C[C@@]1(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])C[NH+]2CCC1CC2 ZINC000892780406 734602742 /nfs/dbraw/zinc/60/27/42/734602742.db2.gz SARFTJVSDGCANG-OAHLLOKOSA-N 1 0 368.231 2.571 20 5 FFBDRO COc1ccc(CC[NH2+]Cc2ccc(O)c(OC)c2[N+](=O)[O-])cc1F ZINC000892871059 734615409 /nfs/dbraw/zinc/61/54/09/734615409.db2.gz JOXPUGNEHGLZID-UHFFFAOYSA-N 1 0 350.346 2.789 20 5 FFBDRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000893601817 734725189 /nfs/dbraw/zinc/72/51/89/734725189.db2.gz JLIOJJYXIARYQW-HUUCEWRRSA-N 1 0 352.822 2.626 20 5 FFBDRO C[NH+](C)CC1(O)CCN(c2c3cc(Cl)ccc3ncc2[N+](=O)[O-])CC1 ZINC000894954766 734943115 /nfs/dbraw/zinc/94/31/15/734943115.db2.gz NBHJKAPHAYSYOU-UHFFFAOYSA-N 1 0 364.833 2.689 20 5 FFBDRO Cc1ccc(N[C@H](C)[C@@H]2C[N@H+](C)CCN2C)c([N+](=O)[O-])c1Br ZINC000895246309 734980677 /nfs/dbraw/zinc/98/06/77/734980677.db2.gz MWCVBCVQPKMANI-YPMHNXCESA-N 1 0 371.279 2.712 20 5 FFBDRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000895278682 734985711 /nfs/dbraw/zinc/98/57/11/734985711.db2.gz AKMNONGJQOWINL-GFCCVEGCSA-N 1 0 360.801 2.994 20 5 FFBDRO O=C1N(CC[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@H]2CCCCN12 ZINC000895341218 734993176 /nfs/dbraw/zinc/99/31/76/734993176.db2.gz GHOYZBWNMPPLMF-CQSZACIVSA-N 1 0 352.822 2.628 20 5 FFBDRO COc1c(O)ccc(C[NH2+]C[C@@H]2CC[C@H](C(F)(F)F)O2)c1[N+](=O)[O-] ZINC000896280667 735131104 /nfs/dbraw/zinc/13/11/04/735131104.db2.gz QFODOQBWZVIMGF-GXSJLCMTSA-N 1 0 350.293 2.509 20 5 FFBDRO C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000899814642 735556616 /nfs/dbraw/zinc/55/66/16/735556616.db2.gz IRDYQKUXXPDJQQ-LBPRGKRZSA-N 1 0 360.801 2.994 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@H]2CC[C@H](C(F)(F)F)O2)n1 ZINC000903180167 736050260 /nfs/dbraw/zinc/05/02/60/736050260.db2.gz YCGIYMODMYWLRV-YVECIDJPSA-N 1 0 362.352 2.975 20 5 FFBDRO CC[N@@H+]1CCN([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C[C@@H]1C ZINC000754389006 736154963 /nfs/dbraw/zinc/15/49/63/736154963.db2.gz XOPULNIVZMGOGF-RYUDHWBXSA-N 1 0 354.838 2.601 20 5 FFBDRO CN(CC[NH+]1CCCC1)C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000754997332 736224724 /nfs/dbraw/zinc/22/47/24/736224724.db2.gz RDLHIANDLBTHFB-UHFFFAOYSA-N 1 0 374.210 2.664 20 5 FFBDRO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC[C@@]12CC[NH2+]C2 ZINC000904302787 736242128 /nfs/dbraw/zinc/24/21/28/736242128.db2.gz YRTKSWOIDJDKRY-HNNXBMFYSA-N 1 0 356.329 2.556 20 5 FFBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000756967212 736378464 /nfs/dbraw/zinc/37/84/64/736378464.db2.gz SGRCZESKZXUXMG-OLZOCXBDSA-N 1 0 354.838 2.920 20 5 FFBDRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000757425539 736405470 /nfs/dbraw/zinc/40/54/70/736405470.db2.gz NMNGQPZXORYDQB-INIZCTEOSA-N 1 0 369.849 2.658 20 5 FFBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000757729256 736423094 /nfs/dbraw/zinc/42/30/94/736423094.db2.gz LGXORFYFHCAQOI-BONVTDFDSA-N 1 0 352.822 2.530 20 5 FFBDRO CC(C)(C)OC(=O)NC(C)(C)C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000759158742 736551840 /nfs/dbraw/zinc/55/18/40/736551840.db2.gz WWZIUQLWFYUEFM-CQSZACIVSA-N 1 0 353.419 2.521 20 5 FFBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000760831578 736672265 /nfs/dbraw/zinc/67/22/65/736672265.db2.gz LCFAVBATKIYBJM-NSHDSACASA-N 1 0 370.247 2.962 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(C(=O)N2CCC(CO)([NH2+]C(C)C)CC2)cc1Cl ZINC000908605702 736801553 /nfs/dbraw/zinc/80/15/53/736801553.db2.gz IESQFDYGFXJNKH-UHFFFAOYSA-N 1 0 369.849 2.522 20 5 FFBDRO C[NH+](C)Cc1ccsc1C(=O)NCc1cc([N+](=O)[O-])c(F)cc1F ZINC000911475637 737203411 /nfs/dbraw/zinc/20/34/11/737203411.db2.gz HWCHQYSGHKBLNK-UHFFFAOYSA-N 1 0 355.366 2.926 20 5 FFBDRO COc1cc(NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000766926632 737276247 /nfs/dbraw/zinc/27/62/47/737276247.db2.gz LVUXIBBCRXMCQN-STQMWFEESA-N 1 0 353.419 2.523 20 5 FFBDRO COc1cc(NC2CC[NH+](C[C@H]3CCCO3)CC2)c(F)cc1[N+](=O)[O-] ZINC000768482343 737425805 /nfs/dbraw/zinc/42/58/05/737425805.db2.gz ANCGSCQTXQUUMM-CYBMUJFWSA-N 1 0 353.394 2.798 20 5 FFBDRO CCCC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768837172 737464377 /nfs/dbraw/zinc/46/43/77/737464377.db2.gz YUJMGWAUTYWPGN-LBPRGKRZSA-N 1 0 361.489 2.589 20 5 FFBDRO C[NH+](C)Cc1cccc(NC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)c1 ZINC000771503078 737731276 /nfs/dbraw/zinc/73/12/76/737731276.db2.gz NNSPTUPEMTUORY-UHFFFAOYSA-N 1 0 357.395 2.913 20 5 FFBDRO CS[C@@H]1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000772580352 737824884 /nfs/dbraw/zinc/82/48/84/737824884.db2.gz SXSTVAYIBUIIGE-HUUCEWRRSA-N 1 0 352.416 2.519 20 5 FFBDRO COC(=O)c1cnc(CC[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])s1 ZINC000922834258 738207244 /nfs/dbraw/zinc/20/72/44/738207244.db2.gz IHGOXPZISFCQNU-UHFFFAOYSA-N 1 0 355.803 2.824 20 5 FFBDRO C[C@@H](CNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C[NH+]1CCCCC1 ZINC000778247106 738366533 /nfs/dbraw/zinc/36/65/33/738366533.db2.gz OKZRJVDCXPTTLS-ZDUSSCGKSA-N 1 0 355.385 2.925 20 5 FFBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@H](O)c3ccc(Cl)c(F)c3)CC2)n1 ZINC000785861743 739005311 /nfs/dbraw/zinc/00/53/11/739005311.db2.gz ICBUVIHZIFHTIT-HNNXBMFYSA-N 1 0 368.796 2.954 20 5 FFBDRO C[N@@H+]1C[C@H]2CCN(C(=O)Nc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)[C@@H]2C1 ZINC000930767459 739159872 /nfs/dbraw/zinc/15/98/72/739159872.db2.gz GOKOQHWBMVSXDQ-NOZJJQNGSA-N 1 0 358.320 2.781 20 5 FFBDRO C[C@](O)(C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)c1cccs1 ZINC000788436215 739244912 /nfs/dbraw/zinc/24/49/12/739244912.db2.gz KLFRWJQSWFJQJE-IOASZLSFSA-N 1 0 350.444 2.834 20 5 FFBDRO C[N@@H+]1C[C@H]2CCN(C(=O)Nc3cc(Br)cc([N+](=O)[O-])c3)[C@H]2C1 ZINC000931335579 739247354 /nfs/dbraw/zinc/24/73/54/739247354.db2.gz XYGKAMFIFBCQKM-RNCFNFMXSA-N 1 0 369.219 2.525 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CCC[C@@H](C[NH+](C)C)C1 ZINC000790265001 739430584 /nfs/dbraw/zinc/43/05/84/739430584.db2.gz HRGUAGMVASVHNW-NSHDSACASA-N 1 0 355.822 2.813 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000790269597 739431167 /nfs/dbraw/zinc/43/11/67/739431167.db2.gz BTSTVIGNUDKCGJ-XHDPSFHLSA-N 1 0 367.833 2.955 20 5 FFBDRO C[C@@H]1CCC[N@H+](CCNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000790544583 739468309 /nfs/dbraw/zinc/46/83/09/739468309.db2.gz ZTXWIKSHBUTVBQ-LLVKDONJSA-N 1 0 357.813 2.778 20 5 FFBDRO CN(CC1([NH+](C)C)CCC1)C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000790570253 739470618 /nfs/dbraw/zinc/47/06/18/739470618.db2.gz KVKRARRORJBLSX-UHFFFAOYSA-N 1 0 357.813 2.873 20 5 FFBDRO CN(CC[N@H+](C)C1CCCCC1)C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000791349910 739551398 /nfs/dbraw/zinc/55/13/98/739551398.db2.gz DSBOCLCEJRNPPM-UHFFFAOYSA-N 1 0 352.410 2.653 20 5 FFBDRO C[C@@H]1C[C@@H](N(C)C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)CC[N@@H+]1C ZINC000933440247 739626234 /nfs/dbraw/zinc/62/62/34/739626234.db2.gz CJVOLHRQAMPQPS-BDAKNGLRSA-N 1 0 358.801 2.524 20 5 FFBDRO CCOC(=O)C1([C@H](C)[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])CCOCC1 ZINC000933882603 739700754 /nfs/dbraw/zinc/70/07/54/739700754.db2.gz SOBKPCWGLFQLRY-KGLIPLIRSA-N 1 0 350.415 2.994 20 5 FFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(CN=[S@](C)(=O)N(C)C)CC1 ZINC000934749666 739831651 /nfs/dbraw/zinc/83/16/51/739831651.db2.gz HXDXVZVUGOYVGT-PWECECGKSA-N 1 0 368.503 2.942 20 5 FFBDRO CCCN(CC[NH+]1CCCC1)S(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000796092433 740100031 /nfs/dbraw/zinc/10/00/31/740100031.db2.gz HJNZRXFRMJRGLQ-UHFFFAOYSA-N 1 0 373.450 2.539 20 5 FFBDRO C[C@H]1CCC[C@H](C)[NH+]1CC(N)=NOCCOc1cccc([N+](=O)[O-])c1 ZINC000809374876 741302823 /nfs/dbraw/zinc/30/28/23/741302823.db2.gz RFSOWHBERQDCML-KBPBESRZSA-N 1 0 350.419 2.735 20 5 FFBDRO C[NH+](C)CCn1ccc(NC(=O)Nc2cccc([N+](=O)[O-])c2Cl)n1 ZINC000809918340 741360405 /nfs/dbraw/zinc/36/04/05/741360405.db2.gz TVXUYECMTKXMHC-UHFFFAOYSA-N 1 0 352.782 2.650 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)OCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000811447892 741523222 /nfs/dbraw/zinc/52/32/22/741523222.db2.gz PGCQKNBNJPJOCU-QGZVFWFLSA-N 1 0 354.378 2.729 20 5 FFBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000811478310 741527406 /nfs/dbraw/zinc/52/74/06/741527406.db2.gz FYXKGPCHZQTVMT-OLZOCXBDSA-N 1 0 360.241 2.854 20 5 FFBDRO C[C@H]1COCC[N@@H+]1C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000816682237 742053067 /nfs/dbraw/zinc/05/30/67/742053067.db2.gz SDXMFDNNPAUETJ-LBPRGKRZSA-N 1 0 367.833 2.574 20 5 FFBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])Nc1cnc2c(c1)C[NH2+]CC2 ZINC000818565029 742279422 /nfs/dbraw/zinc/27/94/22/742279422.db2.gz PTSOPHAQRCEFSE-UHFFFAOYSA-N 1 0 364.764 2.609 20 5 FFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2CCC[C@@H](C1)N2Cc1ccc(Cl)cc1 ZINC001039583780 742993441 /nfs/dbraw/zinc/99/34/41/742993441.db2.gz VSKQEPBBKNIMHZ-YYIAUSFCSA-N 1 0 363.845 2.571 20 5 FFBDRO Cn1ccnc1[C@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CCO1 ZINC000825326266 743248696 /nfs/dbraw/zinc/24/86/96/743248696.db2.gz KZBLXVCTVWWZBE-IUODEOHRSA-N 1 0 350.806 2.992 20 5 FFBDRO CC1(C)CC(C[NH2+]C[C@H]2CC[C@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)C1 ZINC001048607807 743414575 /nfs/dbraw/zinc/41/45/75/743414575.db2.gz LTVQOKPQQSWYGH-MUIFIZLQSA-N 1 0 351.491 2.600 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000827328401 743556165 /nfs/dbraw/zinc/55/61/65/743556165.db2.gz FBFVVMRUPXHCRM-SCRDCRAPSA-N 1 0 367.833 2.568 20 5 FFBDRO C[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H](CO)c1ccc(Cl)cc1 ZINC000830896419 745447790 /nfs/dbraw/zinc/44/77/90/745447790.db2.gz DVMOFXQZDNWAPO-DLBZAZTESA-N 1 0 350.802 2.947 20 5 FFBDRO CN(C)c1cc(F)c(C(=O)NC(C)(C)CCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000836855587 746318668 /nfs/dbraw/zinc/31/86/68/746318668.db2.gz RLWMJOLFXWWYHO-UHFFFAOYSA-N 1 0 354.426 2.650 20 5 FFBDRO C[C@@H]([NH2+]CC(C)(C)[C@H]1COCC12OCCO2)c1ccc([N+](=O)[O-])cc1 ZINC000840803553 747188046 /nfs/dbraw/zinc/18/80/46/747188046.db2.gz RLGMYKWCCNUJGP-CZUORRHYSA-N 1 0 350.415 2.661 20 5 FFBDRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000841099181 747268889 /nfs/dbraw/zinc/26/88/89/747268889.db2.gz GVESTRXOAPKMBQ-NVXWUHKLSA-N 1 0 353.850 2.967 20 5 FFBDRO [NH3+]CCCOC1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000841102418 747270332 /nfs/dbraw/zinc/27/03/32/747270332.db2.gz BZQRHWGPIXSECL-UHFFFAOYSA-N 1 0 356.810 2.610 20 5 FFBDRO [NH3+]C[C@@H](NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)C1CCCC1 ZINC000841161146 747284311 /nfs/dbraw/zinc/28/43/11/747284311.db2.gz KGTKCWWNLXZTKF-GFCCVEGCSA-N 1 0 371.235 2.996 20 5 FFBDRO C[NH2+]CC1CCN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000841162318 747284957 /nfs/dbraw/zinc/28/49/57/747284957.db2.gz UAQHTXIQLIIMPM-UHFFFAOYSA-N 1 0 371.235 2.821 20 5 FFBDRO O=C(O[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1)C1SCCCS1 ZINC000842366846 747580467 /nfs/dbraw/zinc/58/04/67/747580467.db2.gz QUTXHMUPGFOGNW-AWEZNQCLSA-N 1 0 368.480 2.909 20 5 FFBDRO [NH3+][C@H]1CCO[C@@H](C2CCN(C(=O)c3cccc(Cl)c3[N+](=O)[O-])CC2)C1 ZINC000842510038 747623463 /nfs/dbraw/zinc/62/34/63/747623463.db2.gz OARKWHVQJBVEJG-SWLSCSKDSA-N 1 0 367.833 2.607 20 5 FFBDRO O=[N+]([O-])c1cccc(Br)c1CN1CCC[C@]2(CC[NH2+]C2)C1 ZINC000843123181 747776963 /nfs/dbraw/zinc/77/69/63/747776963.db2.gz IRPZBJOZVAMUJD-OAHLLOKOSA-N 1 0 354.248 2.933 20 5 FFBDRO C[C@@H]1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)[C@H]1C[NH3+] ZINC000843347292 747814625 /nfs/dbraw/zinc/81/46/25/747814625.db2.gz TUXIBRLKVLOKMC-PELKAZGASA-N 1 0 374.210 2.696 20 5 FFBDRO CC(C)[C@@H]([NH3+])CCN(C)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000843354613 747815943 /nfs/dbraw/zinc/81/59/43/747815943.db2.gz LRHARLGTCZZHLT-RISCZKNCSA-N 1 0 356.854 2.880 20 5 FFBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC2(C1)CC[NH2+]CC2 ZINC000843364252 747818452 /nfs/dbraw/zinc/81/84/52/747818452.db2.gz WZIWPVSNDJCEEQ-GFCCVEGCSA-N 1 0 366.849 2.651 20 5 FFBDRO CC[C@@H]1CN([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC[C@@H]1[NH3+] ZINC000843377380 747820968 /nfs/dbraw/zinc/82/09/68/747820968.db2.gz PKGDJMPCUXHBAF-WDMOLILDSA-N 1 0 354.838 2.634 20 5 FFBDRO C[C@]1(C2CC2)C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCO1 ZINC000852322571 749834311 /nfs/dbraw/zinc/83/43/11/749834311.db2.gz MUIOXQAWTXMFKA-QGZVFWFLSA-N 1 0 351.378 2.563 20 5 FFBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000852504177 749878528 /nfs/dbraw/zinc/87/85/28/749878528.db2.gz ZWIACRCYDZAEDH-BQVMBELUSA-N 1 0 355.822 2.524 20 5 FFBDRO C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000854569204 750330671 /nfs/dbraw/zinc/33/06/71/750330671.db2.gz IPCKVGOVNAYYPH-GFCCVEGCSA-N 1 0 367.833 2.574 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N2CC[N@@H+](C3CC3)C[C@@H](C)C2)c1F ZINC000854676807 750350333 /nfs/dbraw/zinc/35/03/33/750350333.db2.gz CWUXYIBVBFKLBT-SNVBAGLBSA-N 1 0 353.369 2.738 20 5 FFBDRO COc1c(O)ccc(C[NH2+][C@H]2CCN(C)[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000893266639 971206210 /nfs/dbraw/zinc/20/62/10/971206210.db2.gz SDWBLSUVVNNLHX-RDJZCZTQSA-N 1 0 357.410 2.844 20 5 FFBDRO COc1nc(SC)nc(NCCC[N@@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC001167751655 971706870 /nfs/dbraw/zinc/70/68/70/971706870.db2.gz NATYYNDMBGEQEU-NSHDSACASA-N 1 0 355.464 2.792 20 5 FFBDRO O=C1COc2cc([N+](=O)[O-])c(N[C@@H]3CC[N@H+](Cc4ccccc4)C3)cc2N1 ZINC000312812355 972007027 /nfs/dbraw/zinc/00/70/27/972007027.db2.gz RRMQAFKVCJJYTI-CQSZACIVSA-N 1 0 368.393 2.612 20 5 FFBDRO [NH3+]CC1(N(Cc2ccccc2)c2cc3cc[nH]c3c([N+](=O)[O-])c2)COC1 ZINC001167371429 962468477 /nfs/dbraw/zinc/46/84/77/962468477.db2.gz ZUDHOLXASNNKFD-UHFFFAOYSA-N 1 0 352.394 2.810 20 5 FFBDRO Cn1ccnc1[C@@H](NC[C@H]1CCC(C)(C)C[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000873234191 1013436428 /nfs/dbraw/zinc/43/64/28/1013436428.db2.gz CMLGZYTZAKOPSZ-WBVHZDCISA-N 1 0 357.458 2.786 20 5 FFBDRO CCN(CC1CC1)C(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000934040159 965538861 /nfs/dbraw/zinc/53/88/61/965538861.db2.gz KHALMOIUCJLLJV-UHFFFAOYSA-N 1 0 361.446 2.610 20 5 FFBDRO COC(=O)[C@]12CCC[C@H]1[N@H+](Cc1cc(OC)c(F)cc1[N+](=O)[O-])CC2 ZINC001175965347 1013597269 /nfs/dbraw/zinc/59/72/69/1013597269.db2.gz DTTDQLTZQSRIBG-WBVHZDCISA-N 1 0 352.362 2.660 20 5 FFBDRO Cc1ccc(CNC(=O)NCc2cccc3c2CC[NH2+]C3)cc1[N+](=O)[O-] ZINC000892324527 967196300 /nfs/dbraw/zinc/19/63/00/967196300.db2.gz XANDBQRBOWJODV-UHFFFAOYSA-N 1 0 354.410 2.548 20 5 FFBDRO COc1cc(C[NH2+][C@](C)(CO)Cc2ccccc2F)c([N+](=O)[O-])cc1F ZINC001176589227 1013727528 /nfs/dbraw/zinc/72/75/28/1013727528.db2.gz VOGJKBCEWLLFHP-SFHVURJKSA-N 1 0 366.364 2.965 20 5 FFBDRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000843780779 968272971 /nfs/dbraw/zinc/27/29/71/968272971.db2.gz KLVBVZALLMNNCI-UHFFFAOYSA-N 1 0 360.389 2.650 20 5 FFBDRO COc1c(O)ccc(C[NH2+]C[C@H](c2cccc(F)c2)N(C)C)c1[N+](=O)[O-] ZINC000892420267 968468645 /nfs/dbraw/zinc/46/86/45/968468645.db2.gz OHBAQPCYJMQAOL-OAHLLOKOSA-N 1 0 363.389 2.841 20 5 FFBDRO COc1c(O)ccc(C[NH2+][C@H]2CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000892437712 968744661 /nfs/dbraw/zinc/74/46/61/968744661.db2.gz AVKYTFQMKWWZQT-INIZCTEOSA-N 1 0 357.410 2.673 20 5 FFBDRO C[C@H](Nc1ccc([N+](=O)[O-])c(-c2ccccc2)n1)[C@H]1C[N@H+](C)CCN1C ZINC000895247765 968761776 /nfs/dbraw/zinc/76/17/76/968761776.db2.gz WFFKBKSARSTFMK-WMLDXEAASA-N 1 0 355.442 2.703 20 5 FFBDRO CC[NH+](CC)C[C@@H]1CCN(c2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])C1 ZINC000892721499 970248931 /nfs/dbraw/zinc/24/89/31/970248931.db2.gz BHNDFMJQUONGLT-AWEZNQCLSA-N 1 0 358.442 2.615 20 5 FFBDRO CCOC(=O)[C@H]1CCCN(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000103457489 970398420 /nfs/dbraw/zinc/39/84/20/970398420.db2.gz DYUMLKFEODDUTQ-HNNXBMFYSA-N 1 0 358.398 2.691 20 5 FFBDRO Cc1nn(CCC(=O)N2[C@@H](C)CCC[C@H]2CC[NH+](C)C)c(C)c1[N+](=O)[O-] ZINC000893027915 970509298 /nfs/dbraw/zinc/50/92/98/970509298.db2.gz ZHYWUJGXTKMZKH-BBRMVZONSA-N 1 0 365.478 2.520 20 5 FFBDRO Cn1ncc([N+](=O)[O-])c1N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000893038147 970522191 /nfs/dbraw/zinc/52/21/91/970522191.db2.gz VNRJVYOWVJSQLS-UHFFFAOYSA-N 1 0 355.442 2.821 20 5 FFBDRO C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000313084854 972622588 /nfs/dbraw/zinc/62/25/88/972622588.db2.gz XHVWLXQZHIKJFD-HOCLYGCPSA-N 1 0 368.437 2.817 20 5 FFBDRO C/C(=C/C(=O)N1CCC(C[NH+]2CCOCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000785297062 974784550 /nfs/dbraw/zinc/78/45/50/974784550.db2.gz OQPREZQHKHMFFT-PEZBUJJGSA-N 1 0 373.453 2.569 20 5 FFBDRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC000899199343 977009273 /nfs/dbraw/zinc/00/92/73/977009273.db2.gz HDNQCHXQMVLBMW-HZPDHXFCSA-N 1 0 354.410 2.639 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1CN1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000876781101 1014390972 /nfs/dbraw/zinc/39/09/72/1014390972.db2.gz CTQBWSWOVQNIQD-LPHOPBHVSA-N 1 0 360.502 2.669 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCC[C@@H]([C@H](O)c2nccn2C)C1 ZINC000876809105 1014401593 /nfs/dbraw/zinc/40/15/93/1014401593.db2.gz CQMKDISFWGMRKT-QAPCUYQASA-N 1 0 358.442 2.891 20 5 FFBDRO C[C@H]1CN(c2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000893958852 977615927 /nfs/dbraw/zinc/61/59/27/977615927.db2.gz DYFVSINLNGYQMU-CQSZACIVSA-N 1 0 370.453 2.757 20 5 FFBDRO CC[C@@H](C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)N1CCc2ccccc2C1 ZINC000876916558 1014419694 /nfs/dbraw/zinc/41/96/94/1014419694.db2.gz UWJRXQFZEAKRCS-XBMUEBEBSA-N 1 0 369.469 2.921 20 5 FFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]Cc3ccnc(OCC(F)(F)F)c3)C2)c1 ZINC000876929182 1014424212 /nfs/dbraw/zinc/42/42/12/1014424212.db2.gz VFCOEWRUCPFMML-UHFFFAOYSA-N 1 0 371.319 2.621 20 5 FFBDRO C[C@@H](O)c1ccc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1 ZINC000876967240 1014435067 /nfs/dbraw/zinc/43/50/67/1014435067.db2.gz DSVYXDKNFXFDFI-CQSZACIVSA-N 1 0 356.426 2.802 20 5 FFBDRO [NH3+]C1CCN(CCNc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC1 ZINC000905705771 980492708 /nfs/dbraw/zinc/49/27/08/980492708.db2.gz LQKLWPXKJGQJFI-UHFFFAOYSA-N 1 0 359.405 2.631 20 5 FFBDRO Cc1nn(C[NH+]2CCC(c3ccn(C)n3)CC2)c2ccc([N+](=O)[O-])cc12 ZINC000905722043 980499579 /nfs/dbraw/zinc/49/95/79/980499579.db2.gz GJXNYFDSFWUUAM-UHFFFAOYSA-N 1 0 354.414 2.824 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H](C3CCC3)[C@@H]3CCOC3)CC2)cn1 ZINC000877710535 1014695936 /nfs/dbraw/zinc/69/59/36/1014695936.db2.gz QMJMIYGSVJHJKV-DNVCBOLYSA-N 1 0 360.458 2.753 20 5 FFBDRO CSCC[C@@H](Nc1ccc([N+](=O)[O-])c(OCC[NH+](C)C)c1)C(C)(C)O ZINC001168212657 981103789 /nfs/dbraw/zinc/10/37/89/981103789.db2.gz GNXSDTOTMDLHQK-MRXNPFEDSA-N 1 0 371.503 2.840 20 5 FFBDRO COCCN(C)c1ccc(C[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])cn1 ZINC000897464089 981132153 /nfs/dbraw/zinc/13/21/53/981132153.db2.gz KNTGRKBKWGXBTM-OAHLLOKOSA-N 1 0 358.442 2.966 20 5 FFBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC000908304828 981412874 /nfs/dbraw/zinc/41/28/74/981412874.db2.gz ZSAOCZLJAFVXBO-CYBMUJFWSA-N 1 0 365.430 2.606 20 5 FFBDRO COC(=O)CC[C@H]1CCC[N@H+](Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC000877818574 1014739761 /nfs/dbraw/zinc/73/97/61/1014739761.db2.gz KVKLQWVJWMHESA-CYBMUJFWSA-N 1 0 364.398 2.547 20 5 FFBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC[N@H+](CC)C[C@H]2C)cc1OC ZINC000910294471 981903136 /nfs/dbraw/zinc/90/31/36/981903136.db2.gz UNYWPYJQFYVAFB-CYBMUJFWSA-N 1 0 365.430 2.558 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)c1C ZINC000897660814 982459333 /nfs/dbraw/zinc/45/93/33/982459333.db2.gz OFRUKMMDHAZWKF-MRXNPFEDSA-N 1 0 361.442 2.539 20 5 FFBDRO C[C@]1([NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CCNC1=O ZINC000897872926 982541371 /nfs/dbraw/zinc/54/13/71/982541371.db2.gz JQWPFEXQRQRITF-SFHVURJKSA-N 1 0 359.357 2.894 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C[C@@H]1C ZINC000878163345 1014892994 /nfs/dbraw/zinc/89/29/94/1014892994.db2.gz QJLAMHGXSSYYLS-KBPBESRZSA-N 1 0 359.430 2.949 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000878357529 1015001962 /nfs/dbraw/zinc/00/19/62/1015001962.db2.gz CEJHLFMWYQRFDA-CYBMUJFWSA-N 1 0 357.414 2.577 20 5 FFBDRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000044582737 984325515 /nfs/dbraw/zinc/32/55/15/984325515.db2.gz OHNNGSYPGCHOQJ-STQMWFEESA-N 1 0 364.402 2.601 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@@H]3COc4ccccc4O3)CC2)cc1 ZINC000764564096 984570206 /nfs/dbraw/zinc/57/02/06/984570206.db2.gz NYJRTENLDVVRHZ-GOSISDBHSA-N 1 0 369.421 2.993 20 5 FFBDRO O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000764934090 984837788 /nfs/dbraw/zinc/83/77/88/984837788.db2.gz IXNUSRGQTSOASU-INIZCTEOSA-N 1 0 358.442 2.916 20 5 FFBDRO Cc1ccc(C[N@@H+]2CC[C@@H](N3CC(=O)Nc4ccccc43)C2)cc1[N+](=O)[O-] ZINC000761225553 984936811 /nfs/dbraw/zinc/93/68/11/984936811.db2.gz JBCIUPZJJSHFQW-MRXNPFEDSA-N 1 0 366.421 2.936 20 5 FFBDRO COc1cccc(C(=O)N2C[C@@H]3C[C@H]2CN3Cc2ccccc2)c1[N+](=O)[O-] ZINC000913685805 986830146 /nfs/dbraw/zinc/83/01/46/986830146.db2.gz GUVBCMNRLHISRB-HOTGVXAUSA-N 1 0 367.405 2.702 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000879057627 1015343520 /nfs/dbraw/zinc/34/35/20/1015343520.db2.gz RCRCHXKVLDIGFP-INIZCTEOSA-N 1 0 357.414 2.525 20 5 FFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@](C)(O)c1ccccc1 ZINC000765999479 988889201 /nfs/dbraw/zinc/88/92/01/988889201.db2.gz UPXKLHXNKCKZLY-LIRRHRJNSA-N 1 0 357.410 2.809 20 5 FFBDRO CC(C)c1ccccc1C[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001005380151 989743472 /nfs/dbraw/zinc/74/34/72/989743472.db2.gz CEZSDVBVBODLHD-RTBURBONSA-N 1 0 359.470 2.898 20 5 FFBDRO Cc1ccccc1CCC[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001005380609 989744951 /nfs/dbraw/zinc/74/49/51/989744951.db2.gz FOAOEVVYDRXZNV-RTBURBONSA-N 1 0 359.470 2.516 20 5 FFBDRO CCOC(=O)Cc1ccc(N2CC[C@]3(C2)CCC[N@H+](C)C3)c([N+](=O)[O-])c1 ZINC000826109213 1015548414 /nfs/dbraw/zinc/54/84/14/1015548414.db2.gz UXAHECDOXRPZNB-LJQANCHMSA-N 1 0 361.442 2.623 20 5 FFBDRO CCc1ccccc1C[NH2+]Cc1ccc(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001034816343 990275901 /nfs/dbraw/zinc/27/59/01/990275901.db2.gz NUFQXYQJESYUGX-WOJBJXKFSA-N 1 0 367.449 2.820 20 5 FFBDRO Cc1ccc(C[NH2+]Cc2ccc(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cc2)cc1C ZINC001034816484 990276001 /nfs/dbraw/zinc/27/60/01/990276001.db2.gz PQBRJUBTRSLXFI-WOJBJXKFSA-N 1 0 367.449 2.875 20 5 FFBDRO CCc1ccccc1C[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC2 ZINC001035186959 990410255 /nfs/dbraw/zinc/41/02/55/990410255.db2.gz NMHNVHKZCYCCNP-RTBURBONSA-N 1 0 371.481 2.729 20 5 FFBDRO O=C(c1cc([N+](=O)[O-])ccc1F)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000705677113 990489571 /nfs/dbraw/zinc/48/95/71/990489571.db2.gz BKDCZBIJWDZKRR-IYBDPMFKSA-N 1 0 369.396 2.938 20 5 FFBDRO CC1CC[NH+](CCCCNC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000920290495 990831308 /nfs/dbraw/zinc/83/13/08/990831308.db2.gz LEHLEWZJWYTHPO-UHFFFAOYSA-N 1 0 373.457 2.573 20 5 FFBDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC000923314608 991057741 /nfs/dbraw/zinc/05/77/41/991057741.db2.gz KGBCDGBHEDUTNX-UONOGXRCSA-N 1 0 354.410 2.639 20 5 FFBDRO Cc1cc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)c(N)c([N+](=O)[O-])c1 ZINC000180153788 991439145 /nfs/dbraw/zinc/43/91/45/991439145.db2.gz OFPGUDORLRVHRG-MAUKXSAKSA-N 1 0 354.410 2.661 20 5 FFBDRO CC(C)Cc1ccc(C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCC2)cc1 ZINC001484633789 991711719 /nfs/dbraw/zinc/71/17/19/991711719.db2.gz AWPSNKHSZBKWQA-QZTJIDSGSA-N 1 0 359.470 2.679 20 5 FFBDRO COc1ccc(COC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)nc1 ZINC001129318294 991754934 /nfs/dbraw/zinc/75/49/34/991754934.db2.gz HVXWPTDQUWXCNR-UHFFFAOYSA-N 1 0 354.322 2.541 20 5 FFBDRO Cc1cncc([C@H]2CCC[N@@H+]2C[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000879750342 1015664964 /nfs/dbraw/zinc/66/49/64/1015664964.db2.gz TUJGKQFAKNHLFA-DLBZAZTESA-N 1 0 357.410 2.875 20 5 FFBDRO COc1cc(CN2CC[C@@H]3[C@H]2CCC[N@@H+]3C)c([N+](=O)[O-])cc1OC(F)F ZINC000880133368 1015763939 /nfs/dbraw/zinc/76/39/39/1015763939.db2.gz SXMQCEWTGSBQJW-CHWSQXEVSA-N 1 0 371.384 2.873 20 5 FFBDRO C[C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCN1c1cc[nH+]cc1 ZINC000880261363 1015792833 /nfs/dbraw/zinc/79/28/33/1015792833.db2.gz VCRICVPTNPRPLZ-CYBMUJFWSA-N 1 0 352.398 2.577 20 5 FFBDRO C[NH+](C)CCOc1ccc(/C=C/C(=O)NCc2cccc([N+](=O)[O-])c2)cc1 ZINC000808315191 994082307 /nfs/dbraw/zinc/08/23/07/994082307.db2.gz WPNNGBWIFVBDFH-DHZHZOJOSA-N 1 0 369.421 2.865 20 5 FFBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]Cc3cnn(-c4ccccc4)n3)c2c1 ZINC000808452556 994122319 /nfs/dbraw/zinc/12/23/19/994122319.db2.gz LIWOAKWOJPKJFJ-UHFFFAOYSA-N 1 0 362.393 2.989 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3COc4ccccc4[C@@H]3O)CC2)cc1 ZINC000808731185 994244183 /nfs/dbraw/zinc/24/41/83/994244183.db2.gz SDQAIHIOEQVWAT-ICSRJNTNSA-N 1 0 369.421 2.648 20 5 FFBDRO CC1([NH+]2CCC2)CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000880473542 1015845260 /nfs/dbraw/zinc/84/52/60/1015845260.db2.gz HWIYXSSSVILJMD-UHFFFAOYSA-N 1 0 364.421 2.623 20 5 FFBDRO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000808790631 994265861 /nfs/dbraw/zinc/26/58/61/994265861.db2.gz UYVGTYKGKBCSIE-RCBQFDQVSA-N 1 0 365.430 2.616 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000811502048 995169499 /nfs/dbraw/zinc/16/94/99/995169499.db2.gz HOQZGWCJWQYQPN-UHFFFAOYSA-N 1 0 373.365 2.964 20 5 FFBDRO CCOc1cc(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000888833178 1015958768 /nfs/dbraw/zinc/95/87/68/1015958768.db2.gz XXKCOZICDDGXQF-HIFRSBDPSA-N 1 0 362.430 2.942 20 5 FFBDRO Cc1ccc(C[N@@H+]2Cc3ccc(CNC(=O)[C@@H]4C[C@H]4[N+](=O)[O-])cc3C2)cc1 ZINC001054264362 1015994921 /nfs/dbraw/zinc/99/49/21/1015994921.db2.gz BMOHYLBKSTWIRV-WOJBJXKFSA-N 1 0 365.433 2.792 20 5 FFBDRO O=C(NCc1ccc2c(c1)C[N@@H+](CCC1CCCC1)C2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001054264399 1015995795 /nfs/dbraw/zinc/99/57/95/1015995795.db2.gz CZIKNHVECIOSRN-RTBURBONSA-N 1 0 357.454 2.864 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 ZINC000824827936 997117944 /nfs/dbraw/zinc/11/79/44/997117944.db2.gz JUAUQOQEVCDOIO-KBPBESRZSA-N 1 0 371.359 2.746 20 5 FFBDRO CC(C)(C)[N@@H+]1CCCN(c2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)CC1 ZINC000732567777 998705024 /nfs/dbraw/zinc/70/50/24/998705024.db2.gz BGNOEAXSRVZCSX-UHFFFAOYSA-N 1 0 360.458 2.798 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C(=O)N(CC[NH+](C)C)Cc2ccccc2)c1 ZINC000733092904 998885511 /nfs/dbraw/zinc/88/55/11/998885511.db2.gz JEEKINWXHUDUMD-UHFFFAOYSA-N 1 0 357.410 2.807 20 5 FFBDRO C[N@@H+]1CC[C@H](CNC(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)C1 ZINC000823755230 999074654 /nfs/dbraw/zinc/07/46/54/999074654.db2.gz MLELOTUWOTXSJN-SSDOTTSWSA-N 1 0 350.177 2.722 20 5 FFBDRO O=C1c2cccc([N+](=O)[O-])c2C(=O)N1CN1CCC[C@]2(CC=CCC2)C1 ZINC000733992242 999168127 /nfs/dbraw/zinc/16/81/27/999168127.db2.gz MTURSQJSNAVQLA-LJQANCHMSA-N 1 0 355.394 2.971 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)c1 ZINC000738523061 999626713 /nfs/dbraw/zinc/62/67/13/999626713.db2.gz PPADNOJGHURVAR-UHFFFAOYSA-N 1 0 357.410 2.937 20 5 FFBDRO CC[C@H](C(=O)OCc1nc(-c2cccc([N+](=O)[O-])c2)no1)[NH+](CC)CC ZINC000741032532 999701854 /nfs/dbraw/zinc/70/18/54/999701854.db2.gz GTBKDWAIAGTSMK-CQSZACIVSA-N 1 0 362.386 2.808 20 5 FFBDRO C[NH+](C)C1(CNC(=S)Nc2ccc([N+](=O)[O-])cc2)Cc2ccccc2C1 ZINC000741483137 999729440 /nfs/dbraw/zinc/72/94/40/999729440.db2.gz LOZUZECAISXOSL-UHFFFAOYSA-N 1 0 370.478 2.980 20 5 FFBDRO CC(C)C1CCN(CN2C(=O)N[C@@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)CC1 ZINC000742170157 999760940 /nfs/dbraw/zinc/76/09/40/999760940.db2.gz XPUQBVCTQSDASB-IBGZPJMESA-N 1 0 374.441 2.687 20 5 FFBDRO CC[C@H](C(=O)O[C@H](C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1)[NH+](CC)CC ZINC000745091677 999891852 /nfs/dbraw/zinc/89/18/52/999891852.db2.gz CZADWPUFPLIXLB-BXUZGUMPSA-N 1 0 369.393 2.725 20 5 FFBDRO Cc1cc(-n2cc3c(n2)CC[C@@H]([NH3+])C3)c([N+](=O)[O-])cc1Br ZINC001168816634 999997316 /nfs/dbraw/zinc/99/73/16/999997316.db2.gz DWQVMQGQLXIZAI-SNVBAGLBSA-N 1 0 351.204 2.667 20 5 FFBDRO [NH3+][C@@H]1CCc2nn(-c3ccc([N+](=O)[O-])c(OCc4ccccc4)n3)cc2C1 ZINC001168811127 999998967 /nfs/dbraw/zinc/99/89/67/999998967.db2.gz HTDBTNHRPPEZEM-OAHLLOKOSA-N 1 0 365.393 2.571 20 5 FFBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]C2CCN(c3ncnc4ccccc43)CC2)C1 ZINC001168977067 1000012222 /nfs/dbraw/zinc/01/22/22/1000012222.db2.gz HNYVAINZSYDRKN-HOCLYGCPSA-N 1 0 355.442 2.634 20 5 FFBDRO CC(C)(C)OC(=O)Nc1cccc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)n1 ZINC001169001289 1000014700 /nfs/dbraw/zinc/01/47/00/1000014700.db2.gz FIAKSYCZSYGDBE-STQMWFEESA-N 1 0 350.419 2.964 20 5 FFBDRO COc1ccc(F)cc1CN1CCC([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168996021 1000014193 /nfs/dbraw/zinc/01/41/93/1000014193.db2.gz UBUNPGAMETUEGZ-RDTXWAMCSA-N 1 0 365.449 2.834 20 5 FFBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C2CCN(Cc3ccc(F)c(F)c3)CC2)C1 ZINC001168997245 1000014216 /nfs/dbraw/zinc/01/42/16/1000014216.db2.gz YFECPRWTUVNKHF-CJNGLKHVSA-N 1 0 353.413 2.964 20 5 FFBDRO O=C(N[C@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1)c1ccc(F)cc1 ZINC001168999979 1000014460 /nfs/dbraw/zinc/01/44/60/1000014460.db2.gz WQEFJWRBIXLMKL-BNEJOLLZSA-N 1 0 363.433 2.902 20 5 FFBDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)C2(CC2)C1 ZINC001169004955 1000015016 /nfs/dbraw/zinc/01/50/16/1000015016.db2.gz SQNOIKUGMKBTQK-KKUMJFAQSA-N 1 0 353.463 2.811 20 5 FFBDRO CC(C)(C)OC(=O)N1CC2(C1)CCCC[N@@H+]2[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169011390 1000015721 /nfs/dbraw/zinc/01/57/21/1000015721.db2.gz KDAJAMMPHBZCJR-CABCVRRESA-N 1 0 353.463 2.907 20 5 FFBDRO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](C1)C2C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168988405 1000015865 /nfs/dbraw/zinc/01/58/65/1000015865.db2.gz RXMFYKSEIYJLCG-VDWCLKJHSA-N 1 0 367.490 2.915 20 5 FFBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2CC[C@H]3O[C@H](COc4cccnc4)CC[C@H]32)C1 ZINC001169019189 1000017594 /nfs/dbraw/zinc/01/75/94/1000017594.db2.gz FJIHNJWRMDVLAJ-BSWVEEBUSA-N 1 0 361.442 2.528 20 5 FFBDRO O=C1C[C@]2(CC[N@@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)CN1c1ccc(F)cc1 ZINC001169021542 1000017602 /nfs/dbraw/zinc/01/76/02/1000017602.db2.gz OWOZMSOXPPDABE-BJZITVGISA-N 1 0 361.417 2.700 20 5 FFBDRO O=C1C[C@H](c2ccccc2)C2(CC[NH+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)N1 ZINC001169025233 1000018086 /nfs/dbraw/zinc/01/80/86/1000018086.db2.gz SUXLHPILEKFEPY-CGTJXYLNSA-N 1 0 357.454 2.570 20 5 FFBDRO O=[N+]([O-])C[C@@H]1CC[C@H](n2nc(-c3ccc(F)cc3)c3c2CC[NH2+]CC3)C1 ZINC001169025182 1000018160 /nfs/dbraw/zinc/01/81/60/1000018160.db2.gz SOMNPXCFQBLONR-CJNGLKHVSA-N 1 0 358.417 2.995 20 5 FFBDRO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@H]12 ZINC001169052554 1000019019 /nfs/dbraw/zinc/01/90/19/1000019019.db2.gz HFSXODWPLMEOLV-DGXTUMSLSA-N 1 0 353.463 2.667 20 5 FFBDRO [NH3+]Cc1ccc2c(n1)N(c1nccc(Br)c1[N+](=O)[O-])CCC2 ZINC001169590806 1000060054 /nfs/dbraw/zinc/06/00/54/1000060054.db2.gz OTDZQJDCIXAMBR-UHFFFAOYSA-N 1 0 364.203 2.690 20 5 FFBDRO [NH3+]CCc1cn(-c2ncc([N+](=O)[O-])cc2C(F)(F)F)c2cccnc12 ZINC001169710602 1000071353 /nfs/dbraw/zinc/07/13/53/1000071353.db2.gz OIIQRIVRZVBWFB-UHFFFAOYSA-N 1 0 351.288 2.849 20 5 FFBDRO C[C@@H](CNc1ccc(N)cc1[N+](=O)[O-])[NH+]1CCN(c2ccccc2)CC1 ZINC000804350268 1000105370 /nfs/dbraw/zinc/10/53/70/1000105370.db2.gz XNMLQUUDQNKPSB-HNNXBMFYSA-N 1 0 355.442 2.800 20 5 FFBDRO O=[N+]([O-])c1cccc2cnc(NCc3ccccc3N3CC[NH2+]CC3)nc21 ZINC001171281631 1000719280 /nfs/dbraw/zinc/71/92/80/1000719280.db2.gz LARCGQDJCJZNJW-UHFFFAOYSA-N 1 0 364.409 2.560 20 5 FFBDRO Cc1ccc(NCCCNC(=O)[C@H]2CCC[N@@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC001147337674 1000874080 /nfs/dbraw/zinc/87/40/80/1000874080.db2.gz UVICYQXIKDMKSX-INIZCTEOSA-N 1 0 362.474 2.942 20 5 FFBDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000746565089 1001502438 /nfs/dbraw/zinc/50/24/38/1001502438.db2.gz BKAPRMBPQZHARP-HKMNZKMDSA-N 1 0 361.442 2.567 20 5 FFBDRO O=C(O[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000788116901 1001756520 /nfs/dbraw/zinc/75/65/20/1001756520.db2.gz LBHBSNCTCDNLNI-HOTGVXAUSA-N 1 0 359.426 2.979 20 5 FFBDRO C[C@@H]([NH2+]Cc1ccc(CN2CCOCC2)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788503751 1001814250 /nfs/dbraw/zinc/81/42/50/1001814250.db2.gz NRLDZRBUXGNAPH-OAHLLOKOSA-N 1 0 370.453 2.860 20 5 FFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC000774398794 1001897125 /nfs/dbraw/zinc/89/71/25/1001897125.db2.gz ICKQGNSZUAQQIQ-PXAZEXFGSA-N 1 0 361.373 2.774 20 5 FFBDRO COc1c(O)ccc(C[NH2+]C[C@@H](O)Cc2cccc(Cl)c2)c1[N+](=O)[O-] ZINC001183641225 1002332515 /nfs/dbraw/zinc/33/25/15/1002332515.db2.gz ALFCBLYYMLUZHE-AWEZNQCLSA-N 1 0 366.801 2.656 20 5 FFBDRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC001183837012 1002405335 /nfs/dbraw/zinc/40/53/35/1002405335.db2.gz QYLYGWFQJVDTHH-KRWDZBQOSA-N 1 0 372.425 2.875 20 5 FFBDRO CN(C)c1cc(F)c(C(=O)NCC(C)(C)[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000791197492 1002601505 /nfs/dbraw/zinc/60/15/05/1002601505.db2.gz QDMZMCAMVPPKRB-UHFFFAOYSA-N 1 0 366.437 2.794 20 5 FFBDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000791331934 1002655756 /nfs/dbraw/zinc/65/57/56/1002655756.db2.gz JEECTIBAXMMGDE-VXGBXAGGSA-N 1 0 366.437 2.802 20 5 FFBDRO CC(C)[NH+]1CCN(CCCOC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC000791630437 1002767049 /nfs/dbraw/zinc/76/70/49/1002767049.db2.gz UDKXCQVDSKGXNO-UHFFFAOYSA-N 1 0 374.441 2.649 20 5 FFBDRO COc1ccc(C[C@@H](C)[NH2+]C2CN(C(=O)OC(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC001170294842 1003087837 /nfs/dbraw/zinc/08/78/37/1003087837.db2.gz DIAMJFPXBBKTME-GFCCVEGCSA-N 1 0 365.430 2.743 20 5 FFBDRO COc1ccc(C[C@H](C)[NH2+]CCN(C)C(=O)OC(C)(C)C)c([N+](=O)[O-])c1 ZINC001170294841 1003088730 /nfs/dbraw/zinc/08/87/30/1003088730.db2.gz DHBVRZCYBUILPN-ZDUSSCGKSA-N 1 0 367.446 2.991 20 5 FFBDRO COC(=O)C12CCC([NH2+][C@@H](C)Cc3ccc(OC)cc3[N+](=O)[O-])(CC1)C2 ZINC001170326904 1003112919 /nfs/dbraw/zinc/11/29/19/1003112919.db2.gz PGJQZTWZVPKYBJ-MDAWKPQNSA-N 1 0 362.426 3.000 20 5 FFBDRO COc1ccc(C[C@@H](C)[NH+]2CCC3(CCCC(=O)N3)CC2)c([N+](=O)[O-])c1 ZINC001170342419 1003130218 /nfs/dbraw/zinc/13/02/18/1003130218.db2.gz WLNGCGZBOTZTFY-CQSZACIVSA-N 1 0 361.442 2.669 20 5 FFBDRO COc1ccc(C[C@H](C)[N@@H+]2C[C@@H]3COC[C@H](C2)C3(F)F)c([N+](=O)[O-])c1 ZINC001170351018 1003135328 /nfs/dbraw/zinc/13/53/28/1003135328.db2.gz DGKDJKJBHOKBIN-FPMFFAJLSA-N 1 0 356.369 2.748 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])ncc1NC1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001170453839 1003701961 /nfs/dbraw/zinc/70/19/61/1003701961.db2.gz MKMIYVXXZAKAQR-UHFFFAOYSA-N 1 0 350.419 2.840 20 5 FFBDRO C[N@H+](Cc1ccccc1)C1CN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000804532710 1003713371 /nfs/dbraw/zinc/71/33/71/1003713371.db2.gz HHNSGQRHAHBNFS-XFXZXTDPSA-N 1 0 351.406 2.951 20 5 FFBDRO Cc1cccc(C[NH2+]Cc2ccc(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])c(F)c2)c1 ZINC001001522594 1016829739 /nfs/dbraw/zinc/82/97/39/1016829739.db2.gz GCGLTUGMLNKEFW-IEBWSBKVSA-N 1 0 371.412 2.705 20 5 FFBDRO C[C@@H]([NH2+][C@@H]1CCCn2nccc21)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC001197240055 1004136812 /nfs/dbraw/zinc/13/68/12/1004136812.db2.gz SCTVFHDVFXMVSP-QMTHXVAHSA-N 1 0 363.805 2.896 20 5 FFBDRO COC(=O)CC1([NH2+]Cc2cc([N+](=O)[O-])ccc2Br)CCC1 ZINC001192603209 1004213842 /nfs/dbraw/zinc/21/38/42/1004213842.db2.gz AMJLHPLQPPPAFA-UHFFFAOYSA-N 1 0 357.204 2.933 20 5 FFBDRO CC(C)(C)OC(=O)N[C@H]1CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000106867617 1005364933 /nfs/dbraw/zinc/36/49/33/1005364933.db2.gz VAALQZODRMTPQY-AWEZNQCLSA-N 1 0 365.430 2.963 20 5 FFBDRO O=C(COc1cccc([N+](=O)[O-])c1)OC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000851465186 1005888746 /nfs/dbraw/zinc/88/87/46/1005888746.db2.gz BRIPHZAGFOCORP-KRWDZBQOSA-N 1 0 356.378 2.791 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH+]2CCC(OC[C@@H]3CCCCO3)CC2)cc1 ZINC000776590406 1005993348 /nfs/dbraw/zinc/99/33/48/1005993348.db2.gz DIGVSIARGQGNFL-OALUTQOASA-N 1 0 364.442 2.678 20 5 FFBDRO Cc1ccc(CN2CCO[C@@H](CNc3ncc(C)cc3[N+](=O)[O-])C2)cc1 ZINC001187351138 1006053159 /nfs/dbraw/zinc/05/31/59/1006053159.db2.gz CFTVBMJLMYDSJY-KRWDZBQOSA-N 1 0 356.426 2.920 20 5 FFBDRO O=[N+]([O-])c1cccnc1N[C@H]1CC[C@H]([NH+]2CCN(CC3CC3)CC2)CC1 ZINC001170720216 1006104013 /nfs/dbraw/zinc/10/40/13/1006104013.db2.gz LUGVYMUKEIJKRX-QAQDUYKDSA-N 1 0 359.474 2.741 20 5 FFBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000881469533 1006114588 /nfs/dbraw/zinc/11/45/88/1006114588.db2.gz JZUYMMFJLZNKTM-HNNXBMFYSA-N 1 0 373.409 2.714 20 5 FFBDRO [NH3+][C@@H]1CCc2ccccc2N(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000852755210 1006169242 /nfs/dbraw/zinc/16/92/42/1006169242.db2.gz HLJHGWGJAOJKOI-CQSZACIVSA-N 1 0 372.400 2.843 20 5 FFBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000110998310 1006249782 /nfs/dbraw/zinc/24/97/82/1006249782.db2.gz ZZBALOBNTHOAHP-INIZCTEOSA-N 1 0 360.458 2.799 20 5 FFBDRO COc1cc(N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c([N+](=O)[O-])cc1C ZINC000853296606 1006360938 /nfs/dbraw/zinc/36/09/38/1006360938.db2.gz OEYHTXDHSXCKLU-INIZCTEOSA-N 1 0 362.474 2.518 20 5 FFBDRO CN(CCOCc1ccccc1)Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853501613 1006417385 /nfs/dbraw/zinc/41/73/85/1006417385.db2.gz IKSHNZFAVAYICP-UHFFFAOYSA-N 1 0 367.409 2.959 20 5 FFBDRO O=[N+]([O-])c1cc2ccccc2nc1N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000882726457 1006490184 /nfs/dbraw/zinc/49/01/84/1006490184.db2.gz VCOUZEIZRZCKML-MRXNPFEDSA-N 1 0 356.426 2.880 20 5 FFBDRO O=[N+]([O-])c1ccc2nccc(N3CCC[C@H]([NH2+]C4CCOCC4)C3)c2c1 ZINC000882727677 1006491384 /nfs/dbraw/zinc/49/13/84/1006491384.db2.gz CARAROWQFDZHHN-HNNXBMFYSA-N 1 0 356.426 2.880 20 5 FFBDRO C[C@H](c1ccccc1)[NH+]1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000882811572 1006515333 /nfs/dbraw/zinc/51/53/33/1006515333.db2.gz ZQBJKDZPENLHSE-CQSZACIVSA-N 1 0 352.398 2.521 20 5 FFBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@@H](O)c3cc4ccccc4o3)CC2)n1 ZINC000815104489 1006518783 /nfs/dbraw/zinc/51/87/83/1006518783.db2.gz LSRJXZJGFZUHDB-OAHLLOKOSA-N 1 0 356.382 2.908 20 5 FFBDRO CC1([NH+]2CCC2)CCN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CC1 ZINC000882964663 1006579056 /nfs/dbraw/zinc/57/90/56/1006579056.db2.gz KKEQVEFFLAQDHM-UHFFFAOYSA-N 1 0 358.442 2.552 20 5 FFBDRO C[C@H](NC(=O)N1CCN(c2cc[nH+]cc2)[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000883153931 1006674831 /nfs/dbraw/zinc/67/48/31/1006674831.db2.gz SJHSLTZRIUASIY-GJZGRUSLSA-N 1 0 369.425 2.971 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1ccc(N2CCNC2=O)cc1 ZINC000883286745 1006734572 /nfs/dbraw/zinc/73/45/72/1006734572.db2.gz AODCZXYWXPBJAR-ZDUSSCGKSA-N 1 0 370.409 2.984 20 5 FFBDRO Nc1ccc(NC(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000854495795 1006856362 /nfs/dbraw/zinc/85/63/62/1006856362.db2.gz UNTJEDUUTQVHRQ-MRXNPFEDSA-N 1 0 354.410 2.995 20 5 FFBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1)C[NH+](C)C ZINC000816832800 1007211175 /nfs/dbraw/zinc/21/11/75/1007211175.db2.gz NNKSTUVMDJTYTA-HNNXBMFYSA-N 1 0 362.474 2.759 20 5 FFBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)CC1 ZINC000816952850 1007274535 /nfs/dbraw/zinc/27/45/35/1007274535.db2.gz SVZIEHXBSJQYPX-BEFAXECRSA-N 1 0 372.469 2.607 20 5 FFBDRO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NCCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001137204356 1007304242 /nfs/dbraw/zinc/30/42/42/1007304242.db2.gz DALGMRAQLFJWGT-OKILXGFUSA-N 1 0 367.421 2.662 20 5 FFBDRO Cc1c(CNC(=O)[C@H]([NH3+])Cc2c[nH]c3ccccc23)cccc1[N+](=O)[O-] ZINC000884317828 1007370562 /nfs/dbraw/zinc/37/05/62/1007370562.db2.gz DOCWROSVZPSBTO-MRXNPFEDSA-N 1 0 352.394 2.571 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)c1C ZINC000884340561 1007383480 /nfs/dbraw/zinc/38/34/80/1007383480.db2.gz KXACVLJBIUMPRK-CRAIPNDOSA-N 1 0 361.442 2.570 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)n1 ZINC001135832477 1007465610 /nfs/dbraw/zinc/46/56/10/1007465610.db2.gz RMNFSLZPLZCBBX-UHFFFAOYSA-N 1 0 354.410 2.646 20 5 FFBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000856429526 1007822444 /nfs/dbraw/zinc/82/24/44/1007822444.db2.gz KNZMNAWYOPFVTG-DUVHGLKDSA-N 1 0 361.442 2.567 20 5 FFBDRO C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1)[C@H]1CCC[NH2+]C1 ZINC000818533987 1007927391 /nfs/dbraw/zinc/92/73/91/1007927391.db2.gz ZBZJCJQYISIBGT-HOTGVXAUSA-N 1 0 374.485 2.949 20 5 FFBDRO Cc1c(C(=O)NCc2ccc(CC[NH3+])cc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000818536269 1007932121 /nfs/dbraw/zinc/93/21/21/1007932121.db2.gz QAAXOACPYBMVDK-UHFFFAOYSA-N 1 0 372.381 2.551 20 5 FFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]Cc2ccnc(OCC(F)(F)F)c2)c1 ZINC000818957465 1007994409 /nfs/dbraw/zinc/99/44/09/1007994409.db2.gz WFJPMFQIAUMTMO-AWEZNQCLSA-N 1 0 371.315 2.754 20 5 FFBDRO CC[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1nnc2n1CCCCC2 ZINC000819003732 1008005891 /nfs/dbraw/zinc/00/58/91/1008005891.db2.gz GVFKOFCSTQMKKQ-HZPDHXFCSA-N 1 0 359.430 2.687 20 5 FFBDRO COc1cccc(N2CC[C@H](C[NH2+]C[C@H](O)c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000819003150 1008006758 /nfs/dbraw/zinc/00/67/58/1008006758.db2.gz SYAIFTWVUWCSBW-QRWLVFNGSA-N 1 0 371.437 2.753 20 5 FFBDRO Cc1ccc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)c(N2CCOCC2)c1 ZINC000819148450 1008043891 /nfs/dbraw/zinc/04/38/91/1008043891.db2.gz XESCWMKCBNDLMX-HXUWFJFHSA-N 1 0 371.437 2.563 20 5 FFBDRO CCO[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@H]1Oc1ccccc1 ZINC000819243256 1008069373 /nfs/dbraw/zinc/06/93/73/1008069373.db2.gz ROVYZFZVGODIQH-MTQWCTHYSA-N 1 0 372.421 2.843 20 5 FFBDRO C[NH+](C)CCOc1ccc(NCCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000819451430 1008137796 /nfs/dbraw/zinc/13/77/96/1008137796.db2.gz BBMVBJVWGWCXKT-UHFFFAOYSA-N 1 0 372.425 2.976 20 5 FFBDRO C[C@@H]1CC2(CN1C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1)CC[NH2+]CC2 ZINC000857769816 1008204566 /nfs/dbraw/zinc/20/45/66/1008204566.db2.gz QRZRJJNKYMNVBZ-GFCCVEGCSA-N 1 0 369.368 2.557 20 5 FFBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@H](Oc3ccc(C4CC4)cn3)C2)n1 ZINC000858019975 1008278765 /nfs/dbraw/zinc/27/87/65/1008278765.db2.gz NMUMUGVSBFNZOD-MRXNPFEDSA-N 1 0 357.414 2.607 20 5 FFBDRO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000820101330 1008286718 /nfs/dbraw/zinc/28/67/18/1008286718.db2.gz YCISHHPGMSNEBB-YRWFTTLQSA-N 1 0 369.396 2.523 20 5 FFBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 ZINC000820503732 1008346080 /nfs/dbraw/zinc/34/60/80/1008346080.db2.gz MUUNEJHLTBTKHE-CRAIPNDOSA-N 1 0 374.485 2.996 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000821142768 1008420114 /nfs/dbraw/zinc/42/01/14/1008420114.db2.gz GIOJQHOXDOAWEQ-BHYGNILZSA-N 1 0 361.442 2.535 20 5 FFBDRO CCC1([NH+]2CCOCC2)CCN(c2cc(OC)cc(F)c2[N+](=O)[O-])CC1 ZINC000858823448 1008430765 /nfs/dbraw/zinc/43/07/65/1008430765.db2.gz VYMRJBTUTKTTCP-UHFFFAOYSA-N 1 0 367.421 2.824 20 5 FFBDRO C[C@@H]1C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC[C@@H]1C(=O)OC(C)(C)C ZINC000859611386 1008587436 /nfs/dbraw/zinc/58/74/36/1008587436.db2.gz CVIQYZPVHPUPLL-XOKHGSTOSA-N 1 0 364.442 2.928 20 5 FFBDRO C[N@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C[C@@](C)(O)c1ccccc1 ZINC000822516802 1008664635 /nfs/dbraw/zinc/66/46/35/1008664635.db2.gz QFFIKQSKETZGMB-LJQANCHMSA-N 1 0 358.394 2.706 20 5 FFBDRO NC(=O)c1ccc(C[N@@H+]2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000859929241 1008726313 /nfs/dbraw/zinc/72/63/13/1008726313.db2.gz ARZBKRLRUZCSCW-OKZBNKHCSA-N 1 0 351.406 2.929 20 5 FFBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCCC[C@H]1CC1(O)CCCCC1 ZINC000887035088 1008989228 /nfs/dbraw/zinc/98/92/28/1008989228.db2.gz GGIUQFXPBQPWNZ-INIZCTEOSA-N 1 0 363.458 2.696 20 5 FFBDRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000887134043 1009044073 /nfs/dbraw/zinc/04/40/73/1009044073.db2.gz AYUUHZDTSHCLPM-CYBMUJFWSA-N 1 0 352.398 2.577 20 5 FFBDRO O=C(OCCC[N+](=O)[O-])[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccncc1 ZINC000860922424 1009199557 /nfs/dbraw/zinc/19/95/57/1009199557.db2.gz QTOLPEXZDNWUJS-RBUKOAKNSA-N 1 0 369.421 2.507 20 5 FFBDRO CC1CCN(c2ccc(C(=O)NC[C@H]3CCC[NH2+]C3)cc2[N+](=O)[O-])CC1 ZINC000130167518 1009317621 /nfs/dbraw/zinc/31/76/21/1009317621.db2.gz JYVOOOKEDHKMQV-HNNXBMFYSA-N 1 0 360.458 2.561 20 5 FFBDRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000861496388 1009438540 /nfs/dbraw/zinc/43/85/40/1009438540.db2.gz AAVFTHQZGVBWHC-OAHLLOKOSA-N 1 0 359.426 2.571 20 5 FFBDRO O=[N+]([O-])c1cc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c2c(c1)COCO2 ZINC000134930948 1009504370 /nfs/dbraw/zinc/50/43/70/1009504370.db2.gz RWUUKLLOYOKVMT-KUHUBIRLSA-N 1 0 373.453 2.910 20 5 FFBDRO O=C1[C@H]([NH2+][C@H]2CCc3ccccc3OC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000509514132 1009528145 /nfs/dbraw/zinc/52/81/45/1009528145.db2.gz CETRXJABDHUPMA-MAUKXSAKSA-N 1 0 367.405 2.684 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1C ZINC000889655346 1010041665 /nfs/dbraw/zinc/04/16/65/1010041665.db2.gz KKDIHSINUNJAOF-YQQAZPJKSA-N 1 0 361.442 2.535 20 5 FFBDRO O=C(NCC1CC[NH+](CC2CC2)CC1)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000826685330 1010297644 /nfs/dbraw/zinc/29/76/44/1010297644.db2.gz DIACCXQLHZZWOC-RTBURBONSA-N 1 0 357.454 2.937 20 5 FFBDRO C[C@@H](CNC(=O)Cc1cccc(F)c1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000864809493 1010585957 /nfs/dbraw/zinc/58/59/57/1010585957.db2.gz VUUXZKZYXRSXOK-AWEZNQCLSA-N 1 0 371.412 2.839 20 5 FFBDRO O=[N+]([O-])c1cc(CO)c(NC2CC[NH+](Cc3ccncc3)CC2)cc1F ZINC000865451988 1010789473 /nfs/dbraw/zinc/78/94/73/1010789473.db2.gz IUGFGLRSDNIBLD-UHFFFAOYSA-N 1 0 360.389 2.698 20 5 FFBDRO Cn1cc(C[NH2+][C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000865694166 1010843133 /nfs/dbraw/zinc/84/31/33/1010843133.db2.gz SULBQTCKACVCDP-PQYPPTLTSA-N 1 0 354.410 2.508 20 5 FFBDRO CN(CC[NH+]1CC2(C1)CCOCC2)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000866256720 1010963615 /nfs/dbraw/zinc/96/36/15/1010963615.db2.gz RYQAIPLSEFHUMV-UHFFFAOYSA-N 1 0 356.426 2.692 20 5 FFBDRO CN(CC[NH+]1CC2(C1)CCOCC2)c1ccc2cnccc2c1[N+](=O)[O-] ZINC000866258172 1010963773 /nfs/dbraw/zinc/96/37/73/1010963773.db2.gz OBYVYBBTKVPJDY-UHFFFAOYSA-N 1 0 356.426 2.692 20 5 FFBDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@H](C)Cc3ccc(F)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000866360687 1010983529 /nfs/dbraw/zinc/98/35/29/1010983529.db2.gz XZOANCFEALBIKK-XGWTYTTDSA-N 1 0 363.433 2.902 20 5 FFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1CCO[C@H](c2ccnn2C)C1 ZINC000866372846 1010984743 /nfs/dbraw/zinc/98/47/43/1010984743.db2.gz VDFYAPOCOCWIJE-MRAWALMUSA-N 1 0 362.405 2.908 20 5 FFBDRO O=C(NC[C@H]1CCCC[NH2+]1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000646652308 1012105333 /nfs/dbraw/zinc/10/53/33/1012105333.db2.gz IPDMMUUWADXUIL-CYBMUJFWSA-N 1 0 371.387 2.831 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(N2CCC([N@@H+]3CC[C@@H]4COC[C@@H]4C3)CC2)c(F)c1 ZINC001173009801 1012179548 /nfs/dbraw/zinc/17/95/48/1012179548.db2.gz HKJAFMBNYOVVKQ-OLZOCXBDSA-N 1 0 367.396 2.810 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH2+]C3CC4(COC4)C3)CC2)c(F)c1 ZINC001173011290 1012181940 /nfs/dbraw/zinc/18/19/40/1012181940.db2.gz YFANXBJJGGUGKE-UHFFFAOYSA-N 1 0 353.369 2.610 20 5 FFBDRO Cc1nn(C)cc1C[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173011878 1012182001 /nfs/dbraw/zinc/18/20/01/1012182001.db2.gz MUYAGPPOBXCZMA-UHFFFAOYSA-N 1 0 365.384 2.674 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(N2CCC([N@@H+]3CCCC[C@H](O)C3)CC2)c(F)c1 ZINC001173010777 1012182085 /nfs/dbraw/zinc/18/20/85/1012182085.db2.gz YTCXSAVODSUPIW-AWEZNQCLSA-N 1 0 355.385 2.689 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CCC(=O)NC(C)(C)C)c1F ZINC001173178550 1012322477 /nfs/dbraw/zinc/32/24/77/1012322477.db2.gz CCHFPQXYQBVQAZ-NSHDSACASA-N 1 0 355.410 2.568 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH+]2CCC3(CCC(=O)O3)CC2)c1F ZINC001173190990 1012330842 /nfs/dbraw/zinc/33/08/42/1012330842.db2.gz ZEMSLWBAZAAKSM-GFCCVEGCSA-N 1 0 366.389 2.845 20 5 FFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC001173215722 1012350002 /nfs/dbraw/zinc/35/00/02/1012350002.db2.gz YVLJXPLMDMVJLG-MAUKXSAKSA-N 1 0 353.422 2.917 20 5 FFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC1CCN(c2cnccn2)CC1 ZINC001173222251 1012354456 /nfs/dbraw/zinc/35/44/56/1012354456.db2.gz VSVFTVQOYPHPQM-OAHLLOKOSA-N 1 0 355.442 2.822 20 5 FFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CC2(CN(c3ccccc3)C2=O)C1 ZINC001173225414 1012358783 /nfs/dbraw/zinc/35/87/83/1012358783.db2.gz BZYIMUQNWJBGMD-HNNXBMFYSA-N 1 0 351.406 2.875 20 5 FFBDRO CCOCc1nnn2c1C[N@@H+]([C@@H](C)Cc1ccc([N+](=O)[O-])cc1)CCC2 ZINC001173229507 1012363639 /nfs/dbraw/zinc/36/36/39/1012363639.db2.gz XCYQBRYPZPYGPS-AWEZNQCLSA-N 1 0 359.430 2.560 20 5 FFBDRO CCn1c(=O)ccc2c1CC[C@H]([NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1)C2 ZINC001173210519 1012369767 /nfs/dbraw/zinc/36/97/67/1012369767.db2.gz LLMMCPDAFPITGD-PBHICJAKSA-N 1 0 355.438 2.855 20 5 FFBDRO C[C@]([NH3+])(C(=O)N[C@@H]1C[C@@H]1c1c(F)cccc1F)c1cccc([N+](=O)[O-])c1 ZINC000870888901 1012621390 /nfs/dbraw/zinc/62/13/90/1012621390.db2.gz UALMVAASHQJYQB-WBHUJUFNSA-N 1 0 361.348 2.719 20 5 FFBDRO C[C@@H](c1ccccc1)[C@@H](O)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000827309959 1017567265 /nfs/dbraw/zinc/56/72/65/1017567265.db2.gz IRSNTAZPTHLXFA-JXFKEZNVSA-N 1 0 355.438 2.881 20 5 FFBDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000748762281 1017624682 /nfs/dbraw/zinc/62/46/82/1017624682.db2.gz ZOZKVWZPSRRYCM-UHFFFAOYSA-N 1 0 367.409 2.953 20 5 FFBDRO CC(C)(C)OC(=O)NCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000132985532 1018699128 /nfs/dbraw/zinc/69/91/28/1018699128.db2.gz SVTVMTAVTANJGD-UHFFFAOYSA-N 1 0 364.446 2.678 20 5 FFBDRO CN(C(=O)C[NH2+][C@H]1CCc2ccccc2OC1)c1ccc([N+](=O)[O-])cc1 ZINC000801571447 1019128161 /nfs/dbraw/zinc/12/81/61/1019128161.db2.gz TUPRTQZWIUENIE-HNNXBMFYSA-N 1 0 355.394 2.541 20 5 FFBDRO CCOc1ccc(C(=O)N[C@H](CC[NH+](C)C)c2cccnc2)cc1[N+](=O)[O-] ZINC000928838891 1019155319 /nfs/dbraw/zinc/15/53/19/1019155319.db2.gz DQBQUPFFWOSZIP-MRXNPFEDSA-N 1 0 372.425 2.811 20 5 FFBDRO Cc1cc(C)c(C[NH+]2CCC(C)(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c(C)c1 ZINC001045436122 1019965438 /nfs/dbraw/zinc/96/54/38/1019965438.db2.gz IQQSHIDPZPFSIH-SJLPKXTDSA-N 1 0 359.470 2.748 20 5 FFBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[NH2+]C3(CCC3)C2)c(F)c1N1CCOCC1 ZINC000900021709 1020142715 /nfs/dbraw/zinc/14/27/15/1020142715.db2.gz MRGKREVELXYGQB-ZDUSSCGKSA-N 1 0 364.421 2.657 20 5 FFBDRO COc1ccc(C[NH2+]CCCNC(=O)/C=C/c2ccccc2)cc1[N+](=O)[O-] ZINC000800311588 1020206286 /nfs/dbraw/zinc/20/62/86/1020206286.db2.gz KOVMIWVCFSMXKC-PKNBQFBNSA-N 1 0 369.421 2.913 20 5 FFBDRO O=C(NC[C@H]1CC[C@H](C[NH2+]Cc2ccc(F)cc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001048607671 1020352145 /nfs/dbraw/zinc/35/21/45/1020352145.db2.gz GEPWSDSKLQJJBX-MOIQIXESSA-N 1 0 363.433 2.503 20 5 FFBDRO CCOc1cc(CN(C)Cc2c[nH]c(C)c(OC)c2=O)ccc1[N+](=O)[O-] ZINC000931327420 1020423921 /nfs/dbraw/zinc/42/39/21/1020423921.db2.gz XFWQAPQIQCAVEL-UHFFFAOYSA-N 1 0 361.398 2.631 20 5 FFBDRO O=[N+]([O-])c1cccc([C@@H](O)CN2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccccc2)c1 ZINC000931490945 1020488545 /nfs/dbraw/zinc/48/85/45/1020488545.db2.gz IJMKQIHAHCUBEE-UFYCRDLUSA-N 1 0 353.422 2.587 20 5 FFBDRO COc1cc([C@H](C)[NH2+][C@H]2CCO[C@@H](c3nccn3C)C2)cc([N+](=O)[O-])c1 ZINC000903183678 1020728533 /nfs/dbraw/zinc/72/85/33/1020728533.db2.gz PVQWLOODRFVPNG-RVSPLBMKSA-N 1 0 360.414 2.908 20 5 FFBDRO C[C@](O)(C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)c1cccc(F)c1 ZINC000903312035 1020787757 /nfs/dbraw/zinc/78/77/57/1020787757.db2.gz XIXOFMASEGOUGV-NUJGCVRESA-N 1 0 362.405 2.911 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@]1(c2cnn(C)c2)CCCO1 ZINC000903358477 1020804451 /nfs/dbraw/zinc/80/44/51/1020804451.db2.gz JZDJLTVDOPMXTQ-UGSOOPFHSA-N 1 0 360.414 2.693 20 5 FFBDRO O=[N+]([O-])c1cc(Br)cc(F)c1O[C@@H]1C[NH2+]CCC[C@@H]1F ZINC001217980387 1032931470 /nfs/dbraw/zinc/93/14/70/1032931470.db2.gz KXULVCGDQSJZFX-GZMMTYOYSA-N 1 0 351.147 2.965 20 5 FFBDRO C[NH+](C)CC[C@H](N[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)c1cccnc1 ZINC000903381661 1020815109 /nfs/dbraw/zinc/81/51/09/1020815109.db2.gz YJILUSYDGYZVSW-BZSNNMDCSA-N 1 0 372.473 2.953 20 5 FFBDRO O=[N+]([O-])c1ccc(F)c(Br)c1O[C@H]1C[NH2+]CCC[C@@H]1F ZINC001217984418 1032932879 /nfs/dbraw/zinc/93/28/79/1032932879.db2.gz ZPOLHEFXHHCDDE-XVKPBYJWSA-N 1 0 351.147 2.965 20 5 FFBDRO O=[N+]([O-])c1cc(O[C@@H]2CCC[NH2+]CC2)ccc1I ZINC001217994818 1032940126 /nfs/dbraw/zinc/94/01/26/1032940126.db2.gz BMKOJGFYTACJHS-SECBINFHSA-N 1 0 362.167 2.720 20 5 FFBDRO CC(C)[NH+]1CCC(N2CCN(Cc3cc(F)ccc3[N+](=O)[O-])CC2)CC1 ZINC000749459329 1020990766 /nfs/dbraw/zinc/99/07/66/1020990766.db2.gz CYKIQTZVHIXWPP-UHFFFAOYSA-N 1 0 364.465 2.724 20 5 FFBDRO C[C@@](O)(CC[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccccc1 ZINC000778213095 1021130764 /nfs/dbraw/zinc/13/07/64/1021130764.db2.gz BRTWTJLZRQOCCJ-LJQANCHMSA-N 1 0 358.394 2.753 20 5 FFBDRO Cc1nn(CN2CC[NH+](CCC(C)(C)C)CC2)c2ncc([N+](=O)[O-])cc12 ZINC000749942547 1021150921 /nfs/dbraw/zinc/15/09/21/1021150921.db2.gz BCYKJIXNJSWRTL-UHFFFAOYSA-N 1 0 360.462 2.659 20 5 FFBDRO Cc1nn(CN2CCC[C@H]([NH+]3CCCC3)CC2)c2ncc([N+](=O)[O-])cc12 ZINC000749954377 1021163934 /nfs/dbraw/zinc/16/39/34/1021163934.db2.gz NCPFBVMAYWEGDB-HNNXBMFYSA-N 1 0 358.446 2.556 20 5 FFBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)c1 ZINC000934268180 1021182875 /nfs/dbraw/zinc/18/28/75/1021182875.db2.gz HUPNVVBJILCONI-JKSUJKDBSA-N 1 0 373.375 2.645 20 5 FFBDRO CC(C)(C)[NH+]1CCN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC001116567062 1021287541 /nfs/dbraw/zinc/28/75/41/1021287541.db2.gz XYSCRVMCWAAQRG-UHFFFAOYSA-N 1 0 368.865 2.916 20 5 FFBDRO CC(C)(C)OC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1cccnc1[N+](=O)[O-])C2 ZINC000934611779 1021296258 /nfs/dbraw/zinc/29/62/58/1021296258.db2.gz ZPRNYXVSJBTCCU-QEJZJMRPSA-N 1 0 362.430 2.867 20 5 FFBDRO C[C@@H]1CC[NH2+]C[C@H]1Oc1c(I)cccc1[N+](=O)[O-] ZINC001218043869 1032969275 /nfs/dbraw/zinc/96/92/75/1032969275.db2.gz NTWOYUHDUGRDEO-LDYMZIIASA-N 1 0 362.167 2.576 20 5 FFBDRO C[C@@H](C(=O)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC001116684003 1021352365 /nfs/dbraw/zinc/35/23/65/1021352365.db2.gz FFNZNVAZPZNNJU-BBWFWOEESA-N 1 0 374.485 2.500 20 5 FFBDRO C[C@H](C(=O)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC001116684005 1021354954 /nfs/dbraw/zinc/35/49/54/1021354954.db2.gz FFNZNVAZPZNNJU-IXDOHACOSA-N 1 0 374.485 2.500 20 5 FFBDRO C[C@H]1C[C@@H](Oc2cc([N+](=O)[O-])ccc2I)CC[NH2+]1 ZINC001218062420 1032975011 /nfs/dbraw/zinc/97/50/11/1032975011.db2.gz UADXBNCUCRUQCS-WPRPVWTQSA-N 1 0 362.167 2.719 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC001116917453 1021487275 /nfs/dbraw/zinc/48/72/75/1021487275.db2.gz LXQWUVOKWDKTBI-UHFFFAOYSA-N 1 0 350.419 2.942 20 5 FFBDRO O=[N+]([O-])c1c2c(cc(Br)c1O[C@@H]1CC[NH2+]C[C@@H]1F)CCC2 ZINC001218071407 1032980181 /nfs/dbraw/zinc/98/01/81/1032980181.db2.gz PIDLFENLDMDATB-NWDGAFQWSA-N 1 0 359.195 2.925 20 5 FFBDRO Cc1c(Br)cnc(O[C@@H]2CCC[C@@]23CC[NH2+]C3)c1[N+](=O)[O-] ZINC001218098882 1032993623 /nfs/dbraw/zinc/99/36/23/1032993623.db2.gz XAXJAOULEBBBGS-RISCZKNCSA-N 1 0 356.220 2.972 20 5 FFBDRO O=[N+]([O-])c1ccc(I)cc1O[C@H]1CC[C@]12CC[NH2+]C2 ZINC001218120726 1033007771 /nfs/dbraw/zinc/00/77/71/1033007771.db2.gz WNKOGKZETAKTBM-QWHCGFSZSA-N 1 0 374.178 2.720 20 5 FFBDRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000155303396 1022237124 /nfs/dbraw/zinc/23/71/24/1022237124.db2.gz RZDGXBIDJORIOP-HGZMWJMZSA-N 1 0 353.422 2.897 20 5 FFBDRO CC(C)c1ccccc1C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001017543454 1022244907 /nfs/dbraw/zinc/24/49/07/1022244907.db2.gz CODSISDYMSDNMC-UKBAYJJMSA-N 1 0 357.454 2.650 20 5 FFBDRO C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CCN1c1cc[nH+]cc1 ZINC000829216108 1033048085 /nfs/dbraw/zinc/04/80/85/1033048085.db2.gz UKASZFFUAVUIJH-MDASCCDHSA-N 1 0 366.421 2.831 20 5 FFBDRO O=[N+]([O-])c1ccc(O[C@@H]2CCC3(C[NH2+]C3)C2)cc1I ZINC001218234398 1033063535 /nfs/dbraw/zinc/06/35/35/1033063535.db2.gz GIBVBPAFSVRUNZ-SNVBAGLBSA-N 1 0 374.178 2.720 20 5 FFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC001119321629 1022683333 /nfs/dbraw/zinc/68/33/33/1022683333.db2.gz BRLABRXZIAUZLT-SNVBAGLBSA-N 1 0 359.398 2.681 20 5 FFBDRO COc1ccc([C@H]2C[NH2+]CCN2C(=O)c2cc([N+](=O)[O-])c(C)s2)cc1 ZINC001119368348 1022712649 /nfs/dbraw/zinc/71/26/49/1022712649.db2.gz MAPNWDHBBLWBRN-OAHLLOKOSA-N 1 0 361.423 2.760 20 5 FFBDRO CCC1([NH+]2CCC2)CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)CC1 ZINC001119375303 1022719354 /nfs/dbraw/zinc/71/93/54/1022719354.db2.gz MNUIQJYEGQIIMB-UHFFFAOYSA-N 1 0 367.471 2.542 20 5 FFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([N@@H+](Cc2ccccc2)CC2CC2)CC1 ZINC001039485937 1022762831 /nfs/dbraw/zinc/76/28/31/1022762831.db2.gz VBXAACXKQMQBFM-RTBURBONSA-N 1 0 357.454 2.555 20 5 FFBDRO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001122230753 1023129958 /nfs/dbraw/zinc/12/99/58/1023129958.db2.gz LFMCNVWRDCUMGU-DGCLKSJQSA-N 1 0 360.439 2.694 20 5 FFBDRO [NH3+]C[C@@]12CC[C@@H]1CCCN2C(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC001122270674 1023159139 /nfs/dbraw/zinc/15/91/39/1023159139.db2.gz VIZFEBHNIGCLLS-GUYCJALGSA-N 1 0 351.834 2.911 20 5 FFBDRO O=C(COc1cccc([N+](=O)[O-])c1)N1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC001122299760 1023177140 /nfs/dbraw/zinc/17/71/40/1023177140.db2.gz VQQLLZKGDRIELW-HNNXBMFYSA-N 1 0 361.442 2.602 20 5 FFBDRO C[C@]([NH3+])(C(=O)N[C@@H]1Cc2ccc(Cl)cc2C1)c1cccc([N+](=O)[O-])c1 ZINC001122419217 1023255698 /nfs/dbraw/zinc/25/56/98/1023255698.db2.gz YMPBAHZHOLDDTF-CRAIPNDOSA-N 1 0 359.813 2.706 20 5 FFBDRO COC(=O)C1(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCCC1 ZINC000753592841 1023357129 /nfs/dbraw/zinc/35/71/29/1023357129.db2.gz VNTZAORDLKVPAK-UHFFFAOYSA-N 1 0 361.442 2.887 20 5 FFBDRO COc1cc(C[NH2+][C@@H](CNC(=O)OC(C)(C)C)C2CC2)ccc1[N+](=O)[O-] ZINC000754407580 1023466012 /nfs/dbraw/zinc/46/60/12/1023466012.db2.gz GVOBKBMJRKYQFT-AWEZNQCLSA-N 1 0 365.430 2.996 20 5 FFBDRO COc1cc(C[NH2+][C@H](CNC(=O)OC(C)(C)C)C2CC2)ccc1[N+](=O)[O-] ZINC000754407581 1023466337 /nfs/dbraw/zinc/46/63/37/1023466337.db2.gz GVOBKBMJRKYQFT-CQSZACIVSA-N 1 0 365.430 2.996 20 5 FFBDRO C[C@@H]1C[NH2+]CC[C@H]1Oc1cccc(I)c1[N+](=O)[O-] ZINC001218417803 1033147341 /nfs/dbraw/zinc/14/73/41/1033147341.db2.gz XPNODLJNUXWBDE-PSASIEDQSA-N 1 0 362.167 2.576 20 5 FFBDRO Cc1ccc([C@H](C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)N2CCOCC2)o1 ZINC000078228054 1023779388 /nfs/dbraw/zinc/77/93/88/1023779388.db2.gz YJVVFIUBNFJYHI-SFHVURJKSA-N 1 0 359.426 2.968 20 5 FFBDRO O=C1[C@H]([NH2+][C@@H]2CCO[C@H]2c2ccccc2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000191975274 1023943097 /nfs/dbraw/zinc/94/30/97/1023943097.db2.gz AFICJWPEANQYIU-QRVBRYPASA-N 1 0 367.405 2.820 20 5 FFBDRO COC(=O)c1cc(Br)cc([N+](=O)[O-])c1O[C@H]1C[NH2+]CC[C@H]1C ZINC001218482350 1033174506 /nfs/dbraw/zinc/17/45/06/1033174506.db2.gz UILOYYHGUAAMKA-PELKAZGASA-N 1 0 373.203 2.521 20 5 FFBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000758333646 1024050570 /nfs/dbraw/zinc/05/05/70/1024050570.db2.gz IBKWGNVHDYLNJH-KSSFIOAISA-N 1 0 372.469 2.798 20 5 FFBDRO Cn1c(C(=O)NCCc2ccccc2[N+](=O)[O-])ccc1[C@H]1CCCC[NH2+]1 ZINC001121887063 1024139289 /nfs/dbraw/zinc/13/92/89/1024139289.db2.gz IZKKVUYYQWABKB-OAHLLOKOSA-N 1 0 356.426 2.720 20 5 FFBDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2cc(F)cc(C)c2[N+](=O)[O-])C1 ZINC000758508252 1024146392 /nfs/dbraw/zinc/14/63/92/1024146392.db2.gz NFUMGBVLCBVRKA-HNNXBMFYSA-N 1 0 367.421 2.615 20 5 FFBDRO C[C@@](O)(C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccc(F)cc1 ZINC000758598642 1024210482 /nfs/dbraw/zinc/21/04/82/1024210482.db2.gz BQZZOYXUBIUXGF-GOSISDBHSA-N 1 0 362.357 2.502 20 5 FFBDRO O=C(CCc1cc(F)ccc1[N+](=O)[O-])N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC001122136816 1024372506 /nfs/dbraw/zinc/37/25/06/1024372506.db2.gz QXANHWNOQGZNCD-MRXNPFEDSA-N 1 0 363.433 2.905 20 5 FFBDRO COc1ccc(C(=O)N2C[C@@H](C[NH3+])Cc3cc(F)ccc32)cc1[N+](=O)[O-] ZINC001122172317 1024404144 /nfs/dbraw/zinc/40/41/44/1024404144.db2.gz AHEVIEAEPJIIIA-LLVKDONJSA-N 1 0 359.357 2.520 20 5 FFBDRO CC(C)(C[NH2+]CC1CCCC1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001101540775 1024885196 /nfs/dbraw/zinc/88/51/96/1024885196.db2.gz SYXREENUUVYEHO-IAGOWNOFSA-N 1 0 351.491 2.696 20 5 FFBDRO CCc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N)[NH+](C)C)cc1 ZINC000195131475 1024945547 /nfs/dbraw/zinc/94/55/47/1024945547.db2.gz IXDREZXTOJWLPO-GOSISDBHSA-N 1 0 356.426 2.772 20 5 FFBDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000638573610 1025898198 /nfs/dbraw/zinc/89/81/98/1025898198.db2.gz FWTIWWGCGQZIBU-DOTOQJQBSA-N 1 0 371.387 2.830 20 5 FFBDRO COC(=O)[C@H](C)C[N@@H+](Cc1ccccc1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000246378464 1026081698 /nfs/dbraw/zinc/08/16/98/1026081698.db2.gz ZHDFYIVZRVYCAM-DNVCBOLYSA-N 1 0 372.421 2.940 20 5 FFBDRO Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N)ccc1OCC[NH+](C)C ZINC000838178962 1026245655 /nfs/dbraw/zinc/24/56/55/1026245655.db2.gz AARJBAAVELJQBN-UHFFFAOYSA-N 1 0 358.398 2.678 20 5 FFBDRO COc1nc(-n2cc(C[C@H](C)[NH3+])c3ccc(C)cc32)nc(OC)c1[N+](=O)[O-] ZINC001160011552 1027560935 /nfs/dbraw/zinc/56/09/35/1027560935.db2.gz NVGLZXIYLQNNOQ-NSHDSACASA-N 1 0 371.397 2.544 20 5 FFBDRO COC(=O)C1(Nc2cc([N+](=O)[O-])ccn2)CC[NH+](Cc2ccccc2)CC1 ZINC001160301144 1027664502 /nfs/dbraw/zinc/66/45/02/1027664502.db2.gz LSXJBNOSNTVGLZ-UHFFFAOYSA-N 1 0 370.409 2.610 20 5 FFBDRO CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c(F)cc2C)C[C@H]1[NH+]1CCCC1 ZINC001153677316 1027956695 /nfs/dbraw/zinc/95/66/95/1027956695.db2.gz YXFBYMLICMKMMV-CVEARBPZSA-N 1 0 367.446 2.694 20 5 FFBDRO COc1ncnc(N[C@H](c2cccc(F)c2)C2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001161822228 1028326311 /nfs/dbraw/zinc/32/63/11/1028326311.db2.gz PZHRLQFXVPCXBC-AWEZNQCLSA-N 1 0 361.377 2.685 20 5 FFBDRO CC(C)Oc1nc(-n2nc(C(F)(F)F)c3c2CC[NH2+]C3)ccc1[N+](=O)[O-] ZINC001154845530 1028480827 /nfs/dbraw/zinc/48/08/27/1028480827.db2.gz BNMQZHZWBOMIAN-UHFFFAOYSA-N 1 0 371.319 2.627 20 5 FFBDRO CCOC1(OCC)CC[NH2+]C[C@@H]1Nc1cc2cccnc2c([N+](=O)[O-])c1 ZINC001162734097 1028638527 /nfs/dbraw/zinc/63/85/27/1028638527.db2.gz XRHQGSZOJZMSIF-INIZCTEOSA-N 1 0 360.414 2.686 20 5 FFBDRO CC(C)(C)[C@@H](C[NH+]1CCOCC1)Nc1ncnc2cc([N+](=O)[O-])ccc21 ZINC001162875851 1028689081 /nfs/dbraw/zinc/68/90/81/1028689081.db2.gz MSVAZNUGXKKVJB-MRXNPFEDSA-N 1 0 359.430 2.697 20 5 FFBDRO CC(C)[C@@H]1CCC[N@H+](CN2C(=O)N[C@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000780497727 1028714362 /nfs/dbraw/zinc/71/43/62/1028714362.db2.gz MMSDLJTWPBEKNA-AUUYWEPGSA-N 1 0 374.441 2.687 20 5 FFBDRO CC(=O)Nc1ccc(NC[C@@H]2CCC3(CC[NH2+]CC3)CO2)cc1[N+](=O)[O-] ZINC001162962571 1028735351 /nfs/dbraw/zinc/73/53/51/1028735351.db2.gz DSAZNHHGUVLJQQ-HNNXBMFYSA-N 1 0 362.430 2.514 20 5 FFBDRO [NH3+]C[C@@H](CO)c1ccc(Nc2nc(Cl)nc3ccc([N+](=O)[O-])cc32)cc1 ZINC001163053643 1028775430 /nfs/dbraw/zinc/77/54/30/1028775430.db2.gz SZAAIANUALHPPB-NSHDSACASA-N 1 0 373.800 2.970 20 5 FFBDRO O=[N+]([O-])c1cc2c(cc1F)ncnc2NCC[C@H]1C[NH2+]Cc2cccn2C1 ZINC001163056442 1028776843 /nfs/dbraw/zinc/77/68/43/1028776843.db2.gz RPPDVPXNYKCFSG-LBPRGKRZSA-N 1 0 370.388 2.700 20 5 FFBDRO O=[N+]([O-])c1c(Cl)ccc2nc(NC[C@@H]3OC[C@H]4C[NH2+]CC[C@H]43)ccc21 ZINC001155527621 1028779273 /nfs/dbraw/zinc/77/92/73/1028779273.db2.gz MMGRFVHTFQQASC-HFAKWTLXSA-N 1 0 362.817 2.833 20 5 FFBDRO O=[N+]([O-])c1cc(-c2ccc(N[C@@H]3CCO[C@@]4(CC[NH2+]C4)C3)nn2)ccc1F ZINC001155624820 1028823002 /nfs/dbraw/zinc/82/30/02/1028823002.db2.gz IXHFYJRZOIRLEM-ACJLOTCBSA-N 1 0 373.388 2.514 20 5 FFBDRO O=[N+]([O-])c1ccc2nc(Cl)c(N[C@H]3CCO[C@@]4(CC[NH2+]C4)C3)nc2c1 ZINC001163313528 1028888020 /nfs/dbraw/zinc/88/80/20/1028888020.db2.gz XYJBEDRSMMRSKD-QFYYESIMSA-N 1 0 363.805 2.514 20 5 FFBDRO O=[N+]([O-])c1ccc2nc(Cl)c(N[C@H]3CCO[C@]4(CC[NH2+]C4)C3)nc2c1 ZINC001163313524 1028888055 /nfs/dbraw/zinc/88/80/55/1028888055.db2.gz XYJBEDRSMMRSKD-MGPLVRAMSA-N 1 0 363.805 2.514 20 5 FFBDRO O=[N+]([O-])c1cc(N[C@@H]2CCO[C@]3(CC[NH2+]C3)C2)ccc1OC(F)(F)F ZINC001163322035 1028892582 /nfs/dbraw/zinc/89/25/82/1028892582.db2.gz GAAIGSYKJGBYAQ-BXUZGUMPSA-N 1 0 361.320 2.816 20 5 FFBDRO Cc1cc(N[C@@H]2CCO[C@@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])cc1Br ZINC001163329074 1028897070 /nfs/dbraw/zinc/89/70/70/1028897070.db2.gz WCCWQJANAOJPGX-ABAIWWIYSA-N 1 0 370.247 2.989 20 5 FFBDRO COC(=O)c1ccc([C@@H]([NH3+])CNc2cc(Cl)ncc2[N+](=O)[O-])cc1 ZINC001163463142 1028936245 /nfs/dbraw/zinc/93/62/45/1028936245.db2.gz ZAJZQMQVYWQOLO-NSHDSACASA-N 1 0 350.762 2.542 20 5 FFBDRO COC(=O)c1ccc([C@H]([NH3+])CNc2ccc([N+](=O)[O-])c(OC(C)C)n2)cc1 ZINC001163466270 1028937480 /nfs/dbraw/zinc/93/74/80/1028937480.db2.gz LJCDIUPNCIDSNH-CQSZACIVSA-N 1 0 374.397 2.676 20 5 FFBDRO O=[N+]([O-])c1cnc(Cl)nc1-n1c2ccccc2nc1C1CC[NH2+]CC1 ZINC001163758654 1029049368 /nfs/dbraw/zinc/04/93/68/1029049368.db2.gz MYPYYFLCLFTSAL-UHFFFAOYSA-N 1 0 358.789 2.844 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CCC(COCC[NH+]2CCCC2)CC1 ZINC001163880124 1029101169 /nfs/dbraw/zinc/10/11/69/1029101169.db2.gz SHZZPSDVOLIYNG-UHFFFAOYSA-N 1 0 368.865 2.972 20 5 FFBDRO [NH3+][C@H]1CCN(C(F)(F)c2cc(-c3ccccc3[N+](=O)[O-])nnc2Cl)C1 ZINC001156232284 1029105247 /nfs/dbraw/zinc/10/52/47/1029105247.db2.gz UZVJADQSTBEMOC-VIFPVBQESA-N 1 0 369.759 2.788 20 5 FFBDRO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1N(C)c1cc(N)c([N+](=O)[O-])cn1 ZINC001156341881 1029155672 /nfs/dbraw/zinc/15/56/72/1029155672.db2.gz PXKGATLLTAGDDP-KSSFIOAISA-N 1 0 355.442 2.919 20 5 FFBDRO O=[N+]([O-])c1c(N[C@@H](c2ccccc2)c2ccncc2)ncnc1C1C[NH2+]C1 ZINC001164068272 1029162416 /nfs/dbraw/zinc/16/24/16/1029162416.db2.gz FYVWDYDQMUPAPD-INIZCTEOSA-N 1 0 362.393 2.668 20 5 FFBDRO Cc1cc(N2C[C@H]3C[C@@]3(C[NH+](C)C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001156396591 1029180185 /nfs/dbraw/zinc/18/01/85/1029180185.db2.gz YRMXMOAALOCOBX-DNVCBOLYSA-N 1 0 353.426 2.748 20 5 FFBDRO C[NH+](C)CCOc1cc(NCc2ccc3nonc3c2)ccc1[N+](=O)[O-] ZINC001164350472 1029254991 /nfs/dbraw/zinc/25/49/91/1029254991.db2.gz VFOKARGHOKJZSW-UHFFFAOYSA-N 1 0 357.370 2.684 20 5 FFBDRO COC(=O)[C@@H](Nc1cc2c(cc1[N+](=O)[O-])C[NH2+]C2)c1ccc(OC)cc1 ZINC001164542018 1029313818 /nfs/dbraw/zinc/31/38/18/1029313818.db2.gz ZXTZPPIQYYQPBB-KRWDZBQOSA-N 1 0 357.366 2.533 20 5 FFBDRO CC[N@H+]([C@@H]1CCOC1)C1CCN(c2cc([N+](=O)[O-])c3cc[nH]c3n2)CC1 ZINC001165110604 1029400021 /nfs/dbraw/zinc/40/00/21/1029400021.db2.gz TZKUPKXAGYXJME-CQSZACIVSA-N 1 0 359.430 2.551 20 5 FFBDRO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1N(C)c1ccc([N+](=O)[O-])c(N)n1 ZINC001165180456 1029435642 /nfs/dbraw/zinc/43/56/42/1029435642.db2.gz AXOVQHZQXBIURK-WMLDXEAASA-N 1 0 355.442 2.919 20 5 FFBDRO C[N@H+](Cc1ccc(F)cc1)C1CCN(c2cc(N)c([N+](=O)[O-])cn2)CC1 ZINC001157075087 1029458334 /nfs/dbraw/zinc/45/83/34/1029458334.db2.gz WKQJEWOZSBTVIT-UHFFFAOYSA-N 1 0 359.405 2.812 20 5 FFBDRO O=[N+]([O-])c1cc[n+]([O-])c(-n2cc(C3CC[NH2+]CC3)c3cccc(F)c32)c1 ZINC001157354780 1029564209 /nfs/dbraw/zinc/56/42/09/1029564209.db2.gz GANHBJYEUPLUOP-UHFFFAOYSA-N 1 0 356.357 2.778 20 5 FFBDRO CCC[NH+]1C[C@@H]2CN(c3nc(SC)nc(Cl)c3[N+](=O)[O-])C[C@H]2C1 ZINC001157688109 1029645951 /nfs/dbraw/zinc/64/59/51/1029645951.db2.gz BPFNNRXHCJYETO-NXEZZACHSA-N 1 0 357.867 2.538 20 5 FFBDRO CCC[NH+]1C[C@H]2CN(c3cc4ncnc(Cl)c4cc3[N+](=O)[O-])C[C@@H]2C1 ZINC001157689785 1029646045 /nfs/dbraw/zinc/64/60/45/1029646045.db2.gz JNOPTXXMPYLKPX-RYUDHWBXSA-N 1 0 361.833 2.969 20 5 FFBDRO [NH3+]Cc1ccc2ncn(-c3nc(Cl)nc4ccc([N+](=O)[O-])cc43)c2c1 ZINC001158006101 1029708446 /nfs/dbraw/zinc/70/84/46/1029708446.db2.gz NBQICTHYDQYJGR-UHFFFAOYSA-N 1 0 354.757 2.989 20 5 FFBDRO COc1cc(N(c2ncc([N+](=O)[O-])cc2Cl)C2CC[NH2+]CC2)ccn1 ZINC001158325211 1029798320 /nfs/dbraw/zinc/79/83/20/1029798320.db2.gz NNCLWTMYZHECLA-UHFFFAOYSA-N 1 0 363.805 2.937 20 5 FFBDRO COc1cnc(N2CCC3(CC[NH2+]CC3)[C@H]2C(F)(F)F)c([N+](=O)[O-])c1 ZINC001165266429 1029922231 /nfs/dbraw/zinc/92/22/31/1029922231.db2.gz NINIMEBJZIGIHU-ZDUSSCGKSA-N 1 0 360.336 2.509 20 5 FFBDRO [NH3+]C1([C@@H]2CN(c3ccc(-c4ccccc4[N+](=O)[O-])nn3)C[C@H]2CF)CC1 ZINC001165431613 1029980261 /nfs/dbraw/zinc/98/02/61/1029980261.db2.gz COYHDSBTRVRUEB-TZMCWYRMSA-N 1 0 357.389 2.565 20 5 FFBDRO [NH3+]C1([C@H]2CN(c3ccc(-c4ccc([N+](=O)[O-])cc4)nn3)C[C@@H]2CF)CC1 ZINC001165434287 1029981352 /nfs/dbraw/zinc/98/13/52/1029981352.db2.gz RBXKJYUTAIRRMW-ZFWWWQNUSA-N 1 0 357.389 2.565 20 5 FFBDRO COc1nc(N([C@@H]2COC3(C2)CC[NH2+]CC3)C(C)(C)C)ccc1[N+](=O)[O-] ZINC001165670549 1030076558 /nfs/dbraw/zinc/07/65/58/1030076558.db2.gz RULLOBPEOGBUEC-ZDUSSCGKSA-N 1 0 364.446 2.514 20 5 FFBDRO CC(C)(C)N(c1nc(Cl)ncc1[N+](=O)[O-])[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001165670833 1030077374 /nfs/dbraw/zinc/07/73/74/1030077374.db2.gz BBOJTSMGMUMUIT-LLVKDONJSA-N 1 0 369.853 2.554 20 5 FFBDRO Cc1cccc(N(c2ncc([N+](=O)[O-])cc2N)[C@@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001165774272 1030120344 /nfs/dbraw/zinc/12/03/44/1030120344.db2.gz CANLCCRIABZKQL-LPHOPBHVSA-N 1 0 369.425 2.540 20 5 FFBDRO COC(=O)c1cc(C)nc(NCC2CC[NH+](C(C)C)CC2)c1[N+](=O)[O-] ZINC001166615798 1030458496 /nfs/dbraw/zinc/45/84/96/1030458496.db2.gz LULCNSUIZILOID-UHFFFAOYSA-N 1 0 350.419 2.617 20 5 FFBDRO CCc1cc(N2CC[C@H]([NH3+])C(F)(F)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001166959897 1030589775 /nfs/dbraw/zinc/58/97/75/1030589775.db2.gz DFZUNNLNHKTZGQ-AWEZNQCLSA-N 1 0 363.368 2.787 20 5 FFBDRO C[C@H]1CC2(C[N@@H+]1Cn1cnc(-c3cccc([N+](=O)[O-])c3)n1)CCOCC2 ZINC000842639140 1030868343 /nfs/dbraw/zinc/86/83/43/1030868343.db2.gz OWZLTWZVMOEOAK-AWEZNQCLSA-N 1 0 357.414 2.702 20 5 FFBDRO CC(C)NC(=O)OC[C@H]1CCCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000796706218 1030886796 /nfs/dbraw/zinc/88/67/96/1030886796.db2.gz IZUDGJOBPMQLCJ-IAGOWNOFSA-N 1 0 365.430 2.617 20 5 FFBDRO COC(=O)CC[N@@H+](Cc1c(C)ccc([N+](=O)[O-])c1C)C[C@@H]1CCCO1 ZINC001204350274 1031244726 /nfs/dbraw/zinc/24/47/26/1031244726.db2.gz YVIKOYUWHHWBNR-HNNXBMFYSA-N 1 0 350.415 2.756 20 5 FFBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000843481855 1031420852 /nfs/dbraw/zinc/42/08/52/1031420852.db2.gz TWOVGSKBSJAAHM-LSDHHAIUSA-N 1 0 360.458 2.513 20 5 FFBDRO [NH3+]C1(CNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C2CC3CC(C2)CC1C3 ZINC000843501715 1031432822 /nfs/dbraw/zinc/43/28/22/1031432822.db2.gz PJFZKDARLIUMPO-UTCJRWHESA-N 1 0 355.438 2.878 20 5 FFBDRO CCC1([NH+]2CCCC2)CCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])CC1 ZINC001150872991 1031800743 /nfs/dbraw/zinc/80/07/43/1031800743.db2.gz HPFKWBVAAXAQFT-UHFFFAOYSA-N 1 0 374.485 2.898 20 5 FFBDRO COC(=O)[C@@H]1[C@H](C[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1(F)F ZINC001205642253 1031898102 /nfs/dbraw/zinc/89/81/02/1031898102.db2.gz HCHPXWBCPBOGCY-QWRGUYRKSA-N 1 0 368.258 2.758 20 5 FFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](CN2CCOC2=O)C1 ZINC000830100914 1033461572 /nfs/dbraw/zinc/46/15/72/1033461572.db2.gz IRKZQSNQFJHLBM-AWEZNQCLSA-N 1 0 363.414 2.656 20 5 FFBDRO COCCC[NH+]1CCC(OCc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC001223490163 1033469119 /nfs/dbraw/zinc/46/91/19/1033469119.db2.gz PROPCWYVCFSIDG-UHFFFAOYSA-N 1 0 353.375 2.521 20 5 FFBDRO COc1cccc(COC[C@H]2CCC3(CC[NH+](C)CC3)O2)c1[N+](=O)[O-] ZINC001223809324 1033599500 /nfs/dbraw/zinc/59/95/00/1033599500.db2.gz PGSQCKOCWBMUHO-OAHLLOKOSA-N 1 0 350.415 2.763 20 5 FFBDRO CCO[C@H]1C[C@@H]([NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C12CCC2 ZINC000831315332 1034029737 /nfs/dbraw/zinc/02/97/37/1034029737.db2.gz XQGZGFCPTPWVGT-CVEARBPZSA-N 1 0 365.405 3.000 20 5 FFBDRO O=C(Nc1ccccc1C[NH+]1CCC(O)CC1)c1cc([N+](=O)[O-])ccc1F ZINC000831429908 1034074441 /nfs/dbraw/zinc/07/44/41/1034074441.db2.gz WPDJFBPEVFLRHL-UHFFFAOYSA-N 1 0 373.384 2.943 20 5 FFBDRO C[C@@H](C[NH+](C)C)Oc1ccc([N+](=O)[O-])cc1I ZINC001226033093 1034499206 /nfs/dbraw/zinc/49/92/06/1034499206.db2.gz MOLWMYGIARKLBA-QMMMGPOBSA-N 1 0 350.156 2.528 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC[C@@H]3CC4(CC[C@@H]32)OCCO4)cc1 ZINC000832054955 1034522930 /nfs/dbraw/zinc/52/29/30/1034522930.db2.gz ZAFVAEOXYNSIEM-BPQIPLTHSA-N 1 0 362.426 2.636 20 5 FFBDRO COC(=O)c1cc(Br)cc([N+](=O)[O-])c1O[C@H]1CCC[N@H+](C)C1 ZINC001226358794 1034649768 /nfs/dbraw/zinc/64/97/68/1034649768.db2.gz VMOGCJZFTXSCQD-JTQLQIEISA-N 1 0 373.203 2.617 20 5 FFBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)C(=O)NCCc1ccccc1 ZINC000834913022 1035473885 /nfs/dbraw/zinc/47/38/85/1035473885.db2.gz GBHKTMYLELLYTP-UONOGXRCSA-N 1 0 356.426 2.575 20 5 FFBDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2Oc1ccc(Br)nc1[N+](=O)[O-] ZINC001227260266 1035490903 /nfs/dbraw/zinc/49/09/03/1035490903.db2.gz PVKOFFSGWBTMTE-IWIIMEHWSA-N 1 0 356.220 2.861 20 5 FFBDRO COC(=O)c1sc([N+](=O)[O-])cc1OC1CCN(c2cc[nH+]cc2)CC1 ZINC001227542948 1035603286 /nfs/dbraw/zinc/60/32/86/1035603286.db2.gz CWFVERMFSODVLZ-UHFFFAOYSA-N 1 0 363.395 2.886 20 5 FFBDRO CC[N@@H+]1CC[C@@H](Oc2ccc([N+](=O)[O-])c(I)c2)C1 ZINC001227993246 1035855776 /nfs/dbraw/zinc/85/57/76/1035855776.db2.gz ZQURZKMADYGLHE-SNVBAGLBSA-N 1 0 362.167 2.672 20 5 FFBDRO COC(=O)c1cnc(O[C@@H](CC[NH+](C)C)c2ccccc2)c([N+](=O)[O-])c1 ZINC001233861248 1036793368 /nfs/dbraw/zinc/79/33/68/1036793368.db2.gz GUXFHHBFYMJBMJ-INIZCTEOSA-N 1 0 359.382 2.848 20 5 FFBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(I)cc1[N+](=O)[O-] ZINC001229938468 1036989849 /nfs/dbraw/zinc/98/98/49/1036989849.db2.gz MSEQBJXBZXREED-SECBINFHSA-N 1 0 365.191 2.673 20 5 FFBDRO C[C@H](C[N+](C)(C)C)Oc1cnc(Cl)cc1I ZINC001234700200 1037147110 /nfs/dbraw/zinc/14/71/10/1037147110.db2.gz OOVOZNJNQNVQQC-MRVPVSSYSA-N 1 0 355.627 2.813 20 5 FFBDRO C[C@@H](C[N+](C)(C)C)Oc1c(O)ccc2c(=O)c3c(O)cc(O)cc3oc21 ZINC001234749912 1037166286 /nfs/dbraw/zinc/16/62/86/1037166286.db2.gz GJRCRTVXMJFHLU-JTQLQIEISA-O 1 0 360.386 2.537 20 5 FFBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc(-c2ccc(F)cc2F)cc1 ZINC001230959362 1037421755 /nfs/dbraw/zinc/42/17/55/1037421755.db2.gz URYPMTZWWUUHPJ-OAHLLOKOSA-N 1 0 350.385 2.994 20 5 FFBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cccc2ncc(C(F)(F)F)cc21 ZINC001231149843 1037483838 /nfs/dbraw/zinc/48/38/38/1037483838.db2.gz XZEDCDSZKGUVKC-GFCCVEGCSA-N 1 0 357.352 2.616 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC001537097843 1070120345 /nfs/dbraw/zinc/12/03/45/1070120345.db2.gz YLVWWSJLCRAZCN-NVXWUHKLSA-N 1 0 368.437 2.939 20 5 FFBDRO COc1cccnc1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC001256088640 1038373314 /nfs/dbraw/zinc/37/33/14/1038373314.db2.gz XRLLVPKZLXDXTD-UHFFFAOYSA-N 1 0 372.425 2.766 20 5 FFBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)NCCC3CCC3)c2)CC1 ZINC001209696365 1039137651 /nfs/dbraw/zinc/13/76/51/1039137651.db2.gz QMZBUFLTOJIKGP-UHFFFAOYSA-N 1 0 361.446 2.658 20 5 FFBDRO C[C@@H]1C[N@@H+](CCc2nnc(-c3c(F)ccc([N+](=O)[O-])c3F)o2)C[C@H](C)O1 ZINC001258136389 1039213597 /nfs/dbraw/zinc/21/35/97/1039213597.db2.gz AWJJVSUPTUEKQD-AOOOYVTPSA-N 1 0 368.340 2.575 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@H](CCC[NH3+])C(=O)OC(C)(C)C ZINC001246206078 1039280408 /nfs/dbraw/zinc/28/04/08/1039280408.db2.gz CTWAOLFAFPIHTH-HIFRSBDPSA-N 1 0 351.447 2.565 20 5 FFBDRO COc1cc(N2CCC([NH2+][C@H](CN)c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC001246505544 1039375004 /nfs/dbraw/zinc/37/50/04/1039375004.db2.gz DGOVKJQDGOUCBN-GOSISDBHSA-N 1 0 370.453 2.862 20 5 FFBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc(C2CCN(c3cc[nH+]cc3)CC2)n1 ZINC001247175675 1039646068 /nfs/dbraw/zinc/64/60/68/1039646068.db2.gz SRNDIOFMFQAZFE-UHFFFAOYSA-N 1 0 370.344 2.958 20 5 FFBDRO c1cnc2c(c1)ccc1ccc(-c3noc(C4=NO[C@]5(CC[NH2+]C5)C4)n3)nc12 ZINC001247864069 1040004477 /nfs/dbraw/zinc/00/44/77/1040004477.db2.gz DUFRKYMRUPKGQE-HXUWFJFHSA-N 1 0 372.388 2.690 20 5 FFBDRO CN(C)c1ccc(-c2noc(C[C@H]([NH3+])Cc3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC001248213417 1040176067 /nfs/dbraw/zinc/17/60/67/1040176067.db2.gz BTRXVKAZPFBRNX-OAHLLOKOSA-N 1 0 367.409 2.823 20 5 FFBDRO COc1cc(OC)cc(-c2noc(C[C@@H]([NH3+])c3cccc([N+](=O)[O-])c3)n2)c1 ZINC001249277163 1040664716 /nfs/dbraw/zinc/66/47/16/1040664716.db2.gz IJPMQNFGCXWYMU-MRXNPFEDSA-N 1 0 370.365 2.905 20 5 FFBDRO COc1nc(C)ccc1-c1noc(C[C@@H]([NH3+])c2ccc([N+](=O)[O-])cc2)n1 ZINC001249342053 1040692613 /nfs/dbraw/zinc/69/26/13/1040692613.db2.gz IDAVLLAGEJYMRP-CQSZACIVSA-N 1 0 355.354 2.599 20 5 FFBDRO [NH3+]C[C@@H](CO)c1ccc(NC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC001254476107 1040741545 /nfs/dbraw/zinc/74/15/45/1040741545.db2.gz MFSXUJPIXRPUPA-INIZCTEOSA-N 1 0 370.453 2.710 20 5 FFBDRO CCC(=O)NC1CC[NH+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001254479198 1040745210 /nfs/dbraw/zinc/74/52/10/1040745210.db2.gz SDZIHCKYYFDHEN-UHFFFAOYSA-N 1 0 360.458 2.554 20 5 FFBDRO Cc1noc([C@@H]2CC[N@@H+](C3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C2)n1 ZINC001254480389 1040747465 /nfs/dbraw/zinc/74/74/65/1040747465.db2.gz FFQPQWCSHHUVDN-CQSZACIVSA-N 1 0 357.414 2.745 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CC[C@@H](Oc4cnccn4)C3)CC2)cc1 ZINC001254482065 1040749375 /nfs/dbraw/zinc/74/93/75/1040749375.db2.gz HQOUESHRHCIKGQ-GOSISDBHSA-N 1 0 369.425 2.507 20 5 FFBDRO COc1ccc(OC[C@H](O)C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC001254535940 1040787865 /nfs/dbraw/zinc/78/78/65/1040787865.db2.gz MNUYHAWEFARLKQ-GOEBONIOSA-N 1 0 360.410 2.564 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CC2(CN(c3ccccc3)C2=O)C1 ZINC001254559654 1040795955 /nfs/dbraw/zinc/79/59/55/1040795955.db2.gz LPDIGXAJPIKHLM-HNNXBMFYSA-N 1 0 351.406 2.875 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCC(NC(=O)c2ccncc2)CC1 ZINC001254569783 1040804127 /nfs/dbraw/zinc/80/41/27/1040804127.db2.gz KXYHGKJDZHSYMI-HNNXBMFYSA-N 1 0 368.437 2.815 20 5 FFBDRO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254575448 1040810860 /nfs/dbraw/zinc/81/08/60/1040810860.db2.gz QTRVJARPPIYSEB-VBNZEHGJSA-N 1 0 361.442 2.955 20 5 FFBDRO CC(C)C(=O)N1CC[C@@H]2C[N@@H+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC[C@@H]21 ZINC001254596125 1040824230 /nfs/dbraw/zinc/82/42/30/1040824230.db2.gz OWCVHDZHTZBVLR-MNEFBYGVSA-N 1 0 357.454 2.641 20 5 FFBDRO O=C1[C@H]2C[N@H+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@H]2CN1c1ccccc1 ZINC001254595887 1040825126 /nfs/dbraw/zinc/82/51/26/1040825126.db2.gz OCUQKRLPUHWKSF-DBVUQKKJSA-N 1 0 363.417 2.657 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CCc3ncnc(C4CC4)c3CC1)C2 ZINC001254596866 1040827441 /nfs/dbraw/zinc/82/74/41/1040827441.db2.gz SFHWGBMRXCSQRN-QGZVFWFLSA-N 1 0 350.422 2.830 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CC[NH+](CCc3cccs3)CC1)C2 ZINC001254601204 1040832616 /nfs/dbraw/zinc/83/26/16/1040832616.db2.gz VSZUGJQZDYQEOS-GOSISDBHSA-N 1 0 357.479 2.984 20 5 FFBDRO O=C(c1ccco1)N1CCC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254604030 1040832999 /nfs/dbraw/zinc/83/29/99/1040832999.db2.gz STKCTPBBEDHEHR-QGZVFWFLSA-N 1 0 355.394 2.503 20 5 FFBDRO CC[NH+](CC)CC[C@@H](C)NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001214093597 1041233909 /nfs/dbraw/zinc/23/39/09/1041233909.db2.gz WOEBLZODHQOWRG-LLVKDONJSA-N 1 0 363.867 2.647 20 5 FFBDRO Cn1c(C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)ccc1[C@@H]1CCCC[NH2+]1 ZINC001263089660 1042095735 /nfs/dbraw/zinc/09/57/35/1042095735.db2.gz OXFZUHJYGZDFDR-INIZCTEOSA-N 1 0 354.410 2.904 20 5 FFBDRO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC001263129617 1042122366 /nfs/dbraw/zinc/12/23/66/1042122366.db2.gz RRYKJXPFKLMDNO-SFHVURJKSA-N 1 0 363.433 2.903 20 5 FFBDRO O=C(N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC001263248485 1042197803 /nfs/dbraw/zinc/19/78/03/1042197803.db2.gz DUHZBDYRUJCIQJ-LZLYRXPVSA-N 1 0 366.421 2.830 20 5 FFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC2(CCC[C@@H]2C[NH3+])CC1 ZINC001263311250 1042234918 /nfs/dbraw/zinc/23/49/18/1042234918.db2.gz DRIPITKDZZKOPQ-CQSZACIVSA-N 1 0 361.442 2.975 20 5 FFBDRO O=C(NC[C@@H]1CCC[NH2+]CC1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001263322542 1042240344 /nfs/dbraw/zinc/24/03/44/1042240344.db2.gz QKLFXERRNZGNPL-GFCCVEGCSA-N 1 0 360.439 2.838 20 5 FFBDRO CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CC[N@H+](CC)C1 ZINC001313888347 1044436164 /nfs/dbraw/zinc/43/61/64/1044436164.db2.gz HCBSZLBBZSMDTM-AWEZNQCLSA-N 1 0 358.446 2.651 20 5 FFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[NH+](C(C)(C)C)CC1 ZINC001319311107 1045106425 /nfs/dbraw/zinc/10/64/25/1045106425.db2.gz MWFLYBITTUTETH-GFCCVEGCSA-N 1 0 368.865 2.991 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCN1C(=O)COc2ccccc21 ZINC001319767612 1045267342 /nfs/dbraw/zinc/26/73/42/1045267342.db2.gz OXHHTXXAHHRSQR-AWEZNQCLSA-N 1 0 355.394 2.979 20 5 FFBDRO CN(CC(C)(C)C[NH2+]Cc1cc2ccccc2o1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001282294611 1045482977 /nfs/dbraw/zinc/48/29/77/1045482977.db2.gz CRSUVDIZGWMZKP-HZPDHXFCSA-N 1 0 359.426 2.672 20 5 FFBDRO C[C@@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001539740247 1070690399 /nfs/dbraw/zinc/69/03/99/1070690399.db2.gz XKFXFTQWEGBMPH-OLZOCXBDSA-N 1 0 363.414 2.658 20 5 FFBDRO Cc1ccc(C[N@H+]2CCCN(C(=O)c3cc([N+](=O)[O-])cn3C)CC2)cc1 ZINC001322698234 1046186424 /nfs/dbraw/zinc/18/64/24/1046186424.db2.gz JGIUOYGLUJRSOD-UHFFFAOYSA-N 1 0 356.426 2.590 20 5 FFBDRO C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1Br ZINC001326343978 1046887832 /nfs/dbraw/zinc/88/78/32/1046887832.db2.gz OTFNSBXFWDKKSJ-NEPJUHHUSA-N 1 0 370.247 2.960 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCN(c3cc[nH+]cc3)[C@@H](C)C2)c1C ZINC001288350366 1047452736 /nfs/dbraw/zinc/45/27/36/1047452736.db2.gz HUMZPQPWRMLMTQ-AWEZNQCLSA-N 1 0 354.410 2.958 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC001331329573 1047867754 /nfs/dbraw/zinc/86/77/54/1047867754.db2.gz JMHKTJCOOVIVFX-IUODEOHRSA-N 1 0 368.865 2.849 20 5 FFBDRO O=C(NC[C@@H]1C[NH2+]CCC1(F)F)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001331468078 1047955293 /nfs/dbraw/zinc/95/52/93/1047955293.db2.gz SJCUNBNAKITLQP-ZDUSSCGKSA-N 1 0 368.384 2.514 20 5 FFBDRO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC001332911452 1048617711 /nfs/dbraw/zinc/61/77/11/1048617711.db2.gz JDZPKTIYFWELES-OLZOCXBDSA-N 1 0 351.834 2.924 20 5 FFBDRO CC(C)(C)CC[NH+]1CCN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])CC1 ZINC001291909002 1048986691 /nfs/dbraw/zinc/98/66/91/1048986691.db2.gz LWTBIQRHMVRHIX-UHFFFAOYSA-N 1 0 351.422 2.857 20 5 FFBDRO O=[N+]([O-])c1c(N2CC[NH+](C[C@@H]3CCOC3)CC2)cccc1C(F)(F)F ZINC001333911580 1049165926 /nfs/dbraw/zinc/16/59/26/1049165926.db2.gz HAGMFOCFRBLMAV-LBPRGKRZSA-N 1 0 359.348 2.772 20 5 FFBDRO COc1cccc([C@H]2C[NH2+]CCN2C(=O)Cc2cccc([N+](=O)[O-])c2C)c1 ZINC001330951435 1049408001 /nfs/dbraw/zinc/40/80/01/1049408001.db2.gz SCURVLVBFMSDJM-LJQANCHMSA-N 1 0 369.421 2.627 20 5 FFBDRO COc1ccc(CNC(=O)[C@@H]2CCCCC23CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC001339862848 1050281994 /nfs/dbraw/zinc/28/19/94/1050281994.db2.gz ZVDVADFFBPWHNQ-HNNXBMFYSA-N 1 0 361.442 2.780 20 5 FFBDRO [NH3+][C@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[C@H]1C(F)(F)F ZINC001341707502 1050327617 /nfs/dbraw/zinc/32/76/17/1050327617.db2.gz DNUNKHWICYFTNT-ZJUUUORDSA-N 1 0 351.712 2.600 20 5 FFBDRO O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCCC[C@@]12CCC[NH2+]C2 ZINC001342141451 1050734161 /nfs/dbraw/zinc/73/41/61/1050734161.db2.gz RKVCFPNGKWODBH-IBGZPJMESA-N 1 0 369.425 2.529 20 5 FFBDRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H](C)[N+](=O)[O-])n2Cc2ccccc2)C[C@@H]1C ZINC001342144903 1050739571 /nfs/dbraw/zinc/73/95/71/1050739571.db2.gz OVQZCUWABBTDJB-HRCADAONSA-N 1 0 372.473 2.583 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC001342235333 1050824989 /nfs/dbraw/zinc/82/49/89/1050824989.db2.gz OVYPJNZAWSCKQG-QRWLVFNGSA-N 1 0 367.405 2.889 20 5 FFBDRO [NH3+][C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C[C@H]1c1ccccc1 ZINC001340923931 1051252263 /nfs/dbraw/zinc/25/22/63/1051252263.db2.gz TXLLJHVYYTVUTD-YDZRNGNQSA-N 1 0 351.406 2.652 20 5 FFBDRO CCC[NH+]1CCC(N(C)c2nnc(-c3ccc([N+](=O)[O-])o3)n2CC)CC1 ZINC001342657795 1051267021 /nfs/dbraw/zinc/26/70/21/1051267021.db2.gz FPWSBLDYYQVIDP-UHFFFAOYSA-N 1 0 362.434 2.777 20 5 FFBDRO O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC001542350615 1071216266 /nfs/dbraw/zinc/21/62/66/1071216266.db2.gz MMPAAKDWXJCRHK-CYBMUJFWSA-N 1 0 367.833 2.575 20 5 FFBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC001340940893 1051271992 /nfs/dbraw/zinc/27/19/92/1051271992.db2.gz MNYIRYZXMBTYFD-CQSZACIVSA-N 1 0 357.435 2.761 20 5 FFBDRO CC[N@@H+]1C[C@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C(C)(C)C1 ZINC001304041467 1051511369 /nfs/dbraw/zinc/51/13/69/1051511369.db2.gz NFIGREHJGDXRIP-KRWDZBQOSA-N 1 0 360.458 2.655 20 5 FFBDRO [NH3+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC001341245274 1051606190 /nfs/dbraw/zinc/60/61/90/1051606190.db2.gz FMEIQABFAJTNPT-GLRZTSSQSA-N 1 0 373.840 2.966 20 5 FFBDRO Cc1ccc(NC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)c(N)c1[N+](=O)[O-] ZINC001304501298 1051625800 /nfs/dbraw/zinc/62/58/00/1051625800.db2.gz SZRWFQABGRANKH-ZDUSSCGKSA-N 1 0 364.471 2.641 20 5 FFBDRO [NH3+]CC[C@H]1Cc2ccccc2N(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC001341372842 1051732264 /nfs/dbraw/zinc/73/22/64/1051732264.db2.gz VQROPRDXCCETIF-ZDUSSCGKSA-N 1 0 373.384 2.667 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@H]2CN(c3ccc([N+](=O)[O-])cc3C(=O)NC3CC3)C[C@@H]2C1 ZINC001343305942 1052150895 /nfs/dbraw/zinc/15/08/95/1052150895.db2.gz MINIHGHEXDKELO-OFQRWUPVSA-N 1 0 372.469 2.654 20 5 FFBDRO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CC([N@H+](C)Cc2ccccc2)C1 ZINC001307117641 1052253762 /nfs/dbraw/zinc/25/37/62/1052253762.db2.gz ZOBXAEFVDVFABP-UHFFFAOYSA-N 1 0 369.347 2.668 20 5 FFBDRO CC(C)(C)OC(=O)CN1CCC(Nc2c(F)cccc2[N+](=O)[O-])CC1 ZINC001307188100 1052262999 /nfs/dbraw/zinc/26/29/99/1052262999.db2.gz BLJRLARXVAOQPS-UHFFFAOYSA-N 1 0 353.394 2.952 20 5 FFBDRO O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCCC[C@]12CCC[NH2+]C2 ZINC001343677326 1052369976 /nfs/dbraw/zinc/36/99/76/1052369976.db2.gz USPDYJGAOURKPP-LJQANCHMSA-N 1 0 369.425 2.529 20 5 FFBDRO CC[C@@H]([NH2+]CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC001308028233 1052387793 /nfs/dbraw/zinc/38/77/93/1052387793.db2.gz AHODUYVSTCFEBG-DZGCQCFKSA-N 1 0 365.430 2.727 20 5 FFBDRO COC(=O)C[C@@H]1C[N@@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1C ZINC001308081244 1052402147 /nfs/dbraw/zinc/40/21/47/1052402147.db2.gz GKQNSYPAMKQLMR-YRGRVCCFSA-N 1 0 374.397 2.837 20 5 FFBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCOC[C@H]2CC2CCOCC2)cc1 ZINC001308137894 1052415496 /nfs/dbraw/zinc/41/54/96/1052415496.db2.gz WDHVZTRMDFKTOK-GOSISDBHSA-N 1 0 364.442 2.881 20 5 FFBDRO COC(=O)COc1ccc(CNc2ccc3[nH]cnc3c2)cc1[N+](=O)[O-] ZINC001308399262 1052453790 /nfs/dbraw/zinc/45/37/90/1052453790.db2.gz SQQBOVHQWWDKAQ-UHFFFAOYSA-N 1 0 356.338 2.635 20 5 FFBDRO COc1cc(C[NH2+]C[C@H]2CCN2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC001308530698 1052466012 /nfs/dbraw/zinc/46/60/12/1052466012.db2.gz NUUMQGCDNWLCHT-GOSISDBHSA-N 1 0 371.437 2.976 20 5 FFBDRO Cc1nn(C)c(C)c1[C@H](O)C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC001308979116 1052530803 /nfs/dbraw/zinc/53/08/03/1052530803.db2.gz RUOWDVZJBKWPNS-KVSKMBFKSA-N 1 0 372.469 2.980 20 5 FFBDRO Cc1cc(S(=O)(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)c([N+](=O)[O-])s1 ZINC001309147437 1052563360 /nfs/dbraw/zinc/56/33/60/1052563360.db2.gz WGKLWOYYAHXGHI-CYBMUJFWSA-N 1 0 373.500 2.604 20 5 FFBDRO Cc1ccc(C)c(OC[C@H](O)C[NH2+]CCNc2ccc([N+](=O)[O-])cc2)c1 ZINC001335314635 1053292938 /nfs/dbraw/zinc/29/29/38/1053292938.db2.gz QAPAZNALCBGWQR-GOSISDBHSA-N 1 0 359.426 2.653 20 5 FFBDRO C[NH+]1CCC2(CCN(C(=O)CCOc3ccccc3[N+](=O)[O-])CC2)CC1 ZINC001335771228 1053555017 /nfs/dbraw/zinc/55/50/17/1053555017.db2.gz LWAYZLSTJLXBSB-UHFFFAOYSA-N 1 0 361.442 2.698 20 5 FFBDRO Cc1cccc(C)c1OC[C@@H](O)C[NH2+]CCNc1ccc([N+](=O)[O-])cc1 ZINC001336704524 1054151435 /nfs/dbraw/zinc/15/14/35/1054151435.db2.gz UKNYTHJSBQBGLQ-SFHVURJKSA-N 1 0 359.426 2.653 20 5 FFBDRO CCC(=O)c1ccc(N2CCC([NH2+]C3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC001336983956 1054388006 /nfs/dbraw/zinc/38/80/06/1054388006.db2.gz YZAZDTODOYGPCY-UHFFFAOYSA-N 1 0 361.442 2.925 20 5 FFBDRO CCC1([NH+]2CCC2)CCN(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC001337570923 1054856550 /nfs/dbraw/zinc/85/65/50/1054856550.db2.gz PJSFYODZDQDFKX-UHFFFAOYSA-N 1 0 367.471 2.542 20 5 FFBDRO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)[C@@H]2C1 ZINC001337835849 1055048606 /nfs/dbraw/zinc/04/86/06/1055048606.db2.gz XZJJFULYVSVQCC-BHYNMZESSA-N 1 0 357.332 2.684 20 5 FFBDRO O=c1cc(-c2nc([C@H]3C[NH+]4CCC3CC4)no2)c2cc([N+](=O)[O-])ccc2[nH]1 ZINC001337916050 1055102896 /nfs/dbraw/zinc/10/28/96/1055102896.db2.gz GWLKLYRGBBTYSI-AWEZNQCLSA-N 1 0 367.365 2.708 20 5 FFBDRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3C)n2C)C1 ZINC001338152505 1055275857 /nfs/dbraw/zinc/27/58/57/1055275857.db2.gz HVLABYPWAMZXOE-HNNXBMFYSA-N 1 0 372.473 2.867 20 5 FFBDRO CCn1c([C@@H](C)[N+](=O)[O-])nnc1N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC001356350448 1055466473 /nfs/dbraw/zinc/46/64/73/1055466473.db2.gz BFNVHVUSRNNGTH-HUUCEWRRSA-N 1 0 358.446 2.519 20 5 FFBDRO COc1ccc(NC(=O)NC[C@H](C)C[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC001350142226 1055646240 /nfs/dbraw/zinc/64/62/40/1055646240.db2.gz CIHXPINVADKMGF-ZDUSSCGKSA-N 1 0 350.419 2.847 20 5 FFBDRO Cn1c([C@@H]2CCC[N@H+](C)C2)nnc1N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001350843905 1055965909 /nfs/dbraw/zinc/96/59/09/1055965909.db2.gz YHPTWPGYBBGTFI-OAHLLOKOSA-N 1 0 370.457 2.702 20 5 FFBDRO C[C@@H]([NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000932181466 1055979558 /nfs/dbraw/zinc/97/95/58/1055979558.db2.gz UOSMVVRXIPTABM-OAHLLOKOSA-N 1 0 370.453 2.970 20 5 FFBDRO C[C@@H]([NH2+]CC(=O)NCc1ccc(N(C)C)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000932181118 1055980124 /nfs/dbraw/zinc/98/01/24/1055980124.db2.gz ZDCDYADHLLULTP-CQSZACIVSA-N 1 0 356.426 2.628 20 5 FFBDRO CCc1[nH]nc(C(=O)Nc2ccc(Nc3cc[nH+]cc3)cc2)c1[N+](=O)[O-] ZINC001300213316 1056129059 /nfs/dbraw/zinc/12/90/59/1056129059.db2.gz ONPPLLVSQQPPKA-UHFFFAOYSA-N 1 0 352.354 2.693 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849597326 1056937991 /nfs/dbraw/zinc/93/79/91/1056937991.db2.gz SFOVPIGLQNCLQH-CVEARBPZSA-N 1 0 371.441 2.619 20 5 FFBDRO C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])c2ccccc12)[C@H]1C[N@H+](C)CCN1C ZINC001517886775 1058189867 /nfs/dbraw/zinc/18/98/67/1058189867.db2.gz BEPPJRRCCDGVEF-FZKQIMNGSA-N 1 0 371.441 2.504 20 5 FFBDRO CC[N@@H+]1CCC[C@@H]1Cn1c(C)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001502281604 1058805077 /nfs/dbraw/zinc/80/50/77/1058805077.db2.gz KDOURYFIHRZLNT-GOSISDBHSA-N 1 0 370.457 2.542 20 5 FFBDRO Cc1c(C(=O)N2CC[N@@H+](C)C(C)(C)CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC001454270130 1059479604 /nfs/dbraw/zinc/47/96/04/1059479604.db2.gz VXLNBWVXCKTSTA-UHFFFAOYSA-N 1 0 364.402 2.676 20 5 FFBDRO CC[NH+](CC)[C@H](C)Cn1c(C)nnc1N(C)CCc1cccc([N+](=O)[O-])c1 ZINC001515505108 1059682044 /nfs/dbraw/zinc/68/20/44/1059682044.db2.gz ZEJNDWORSQPILM-OAHLLOKOSA-N 1 0 374.489 2.904 20 5 FFBDRO O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCCC[C@]12CCC[NH2+]C2 ZINC001515774163 1059789145 /nfs/dbraw/zinc/78/91/45/1059789145.db2.gz TZYWUDHDNMSJMF-LJQANCHMSA-N 1 0 369.425 2.529 20 5 FFBDRO CCn1c(-c2ccc([N+](=O)[O-])o2)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC001520820724 1060115061 /nfs/dbraw/zinc/11/50/61/1060115061.db2.gz RAJUTPGALAMJDZ-ZDUSSCGKSA-N 1 0 362.434 2.634 20 5 FFBDRO CCn1c(Cc2cccc([N+](=O)[O-])c2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001520844492 1060135470 /nfs/dbraw/zinc/13/54/70/1060135470.db2.gz BWMLLNYKVHYXFY-UHFFFAOYSA-N 1 0 372.473 2.718 20 5 FFBDRO COc1cc(C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C(C)C)ccc1[N+](=O)[O-] ZINC001457084933 1060270430 /nfs/dbraw/zinc/27/04/30/1060270430.db2.gz FRSFPADBBFLJDN-RDJZCZTQSA-N 1 0 361.442 2.938 20 5 FFBDRO O=C1O[C@H](C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CN1C1CC1 ZINC000848570925 1060293888 /nfs/dbraw/zinc/29/38/88/1060293888.db2.gz NTSRRFRAJQSJTK-XYPHTWIQSA-N 1 0 359.426 2.879 20 5 FFBDRO CC[N@H+](C)[C@H]1CCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001457411565 1060371259 /nfs/dbraw/zinc/37/12/59/1060371259.db2.gz IHAZFCGMKGRZAA-ZDUSSCGKSA-N 1 0 355.822 2.570 20 5 FFBDRO CC[N@H+](CCn1c(C)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1)C1CC1 ZINC001547578168 1071972512 /nfs/dbraw/zinc/97/25/12/1071972512.db2.gz BZPADXXQGLNPAZ-UHFFFAOYSA-N 1 0 370.457 2.542 20 5 FFBDRO COc1cccc(C[C@@H]2CN(c3ccc(C(C)=O)cc3[N+](=O)[O-])CC[NH2+]2)c1 ZINC001458726206 1060654494 /nfs/dbraw/zinc/65/44/94/1060654494.db2.gz PKSZQGUCEYOYJM-QGZVFWFLSA-N 1 0 369.421 2.827 20 5 FFBDRO COc1ccc(NC(=O)CC[NH2+]C2([C@@H]3CCCCO3)CC2)c([N+](=O)[O-])c1 ZINC001460826842 1061118971 /nfs/dbraw/zinc/11/89/71/1061118971.db2.gz DPQXNPWHWHJIJD-INIZCTEOSA-N 1 0 363.414 2.623 20 5 FFBDRO CC(C)C[C@@H]1C[N@H+](C)CCN1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001460828196 1061119333 /nfs/dbraw/zinc/11/93/33/1061119333.db2.gz GSKSYIYOKOBFNY-CQSZACIVSA-N 1 0 368.865 2.849 20 5 FFBDRO O=C(CC[N@@H+]1CCCC[C@@]12CCOC2)Nc1cc([N+](=O)[O-])ccc1F ZINC001460957899 1061164450 /nfs/dbraw/zinc/16/44/50/1061164450.db2.gz AQLYAKGVLMEHMO-KRWDZBQOSA-N 1 0 351.378 2.708 20 5 FFBDRO COc1cc(C[NH2+]CCc2ccc3c(c2)OCCCO3)c([N+](=O)[O-])cc1O ZINC001461760213 1061400015 /nfs/dbraw/zinc/40/00/15/1061400015.db2.gz MBUKXAGRJAZYNW-UHFFFAOYSA-N 1 0 374.393 2.803 20 5 FFBDRO COc1c(O)ccc(C[NH2+]C[C@](C)(O)c2cccc(Cl)c2)c1[N+](=O)[O-] ZINC001462054067 1061488848 /nfs/dbraw/zinc/48/88/48/1061488848.db2.gz MDDHBWIFZOOJKY-KRWDZBQOSA-N 1 0 366.801 2.960 20 5 FFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[C@@H]2C[N@H+](C)C[C@H]12 ZINC001528151323 1061775957 /nfs/dbraw/zinc/77/59/57/1061775957.db2.gz AQFKBSTXNSIMIA-BPQIPLTHSA-N 1 0 360.458 2.855 20 5 FFBDRO CC[NH+]1CCN(C2CN(C(=O)c3cc4ccccc4c4cccnc34)C2)CC1 ZINC001522289591 1061878241 /nfs/dbraw/zinc/87/82/41/1061878241.db2.gz OKTGNGGRBVIEKV-UHFFFAOYSA-N 1 0 374.488 2.850 20 5 FFBDRO C[N@@H+]1CCCC[C@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC001463220338 1062000317 /nfs/dbraw/zinc/00/03/17/1062000317.db2.gz CJJYELZTXFTOEU-ZDUSSCGKSA-N 1 0 370.247 2.500 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001463269456 1062023306 /nfs/dbraw/zinc/02/33/06/1062023306.db2.gz DZZCVMSASMLNFP-GUTXKFCHSA-N 1 0 369.487 2.548 20 5 FFBDRO CCCN(CC[NH+](CC)CC)S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC001463491542 1062128627 /nfs/dbraw/zinc/12/86/27/1062128627.db2.gz NFUVCKHOQTZGDM-UHFFFAOYSA-N 1 0 371.503 2.954 20 5 FFBDRO Cc1nccn1-c1ccc(NC(=O)Cc2cccc(F)c2[N+](=O)[O-])cn1 ZINC001464219291 1062489563 /nfs/dbraw/zinc/48/95/63/1062489563.db2.gz UWCNMOGLMYUEGV-UHFFFAOYSA-N 1 0 355.329 2.804 20 5 FFBDRO [NH3+]C[C@]12CC[C@H]1CCN2C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC001523557866 1062518439 /nfs/dbraw/zinc/51/84/39/1062518439.db2.gz JOXGPDBCPWWUPQ-ZUZCIYMTSA-N 1 0 355.847 2.680 20 5 FFBDRO C[NH+](C)CCOc1cc(NC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)ccn1 ZINC001435739417 1062552236 /nfs/dbraw/zinc/55/22/36/1062552236.db2.gz KWNVTPUQEQRYGC-IAGOWNOFSA-N 1 0 370.409 2.672 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC001531317858 1062743680 /nfs/dbraw/zinc/74/36/80/1062743680.db2.gz WDYPZWWZFRULRA-CALCHBBNSA-N 1 0 366.421 2.502 20 5 FFBDRO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Nc3ccc([N+](=O)[O-])c4ccncc34)[C@@H]2C1 ZINC001467070995 1063629258 /nfs/dbraw/zinc/62/92/58/1063629258.db2.gz ZURZCCPDJRVEFR-PEYYIBSZSA-N 1 0 355.398 2.605 20 5 FFBDRO CCCN(CCC[NH+](C)C)C(=O)c1cc(C(=O)OCC)cc([N+](=O)[O-])c1 ZINC001467238129 1063681444 /nfs/dbraw/zinc/68/14/44/1063681444.db2.gz SVJPEISEVDYKSC-UHFFFAOYSA-N 1 0 365.430 2.575 20 5 FFBDRO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])cn1C ZINC001470779873 1064448813 /nfs/dbraw/zinc/44/88/13/1064448813.db2.gz JWCBVQSDJMIVMU-PBHICJAKSA-N 1 0 356.426 2.574 20 5 FFBDRO CC[NH+](CC)CC[C@H](C)NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC001471614889 1064733421 /nfs/dbraw/zinc/73/34/21/1064733421.db2.gz VOVICIZTFVSCGR-HNNXBMFYSA-N 1 0 350.463 2.899 20 5 FFBDRO Cc1ccc(NCCNC(=O)CCOc2cc(C)ccc2[N+](=O)[O-])nc1 ZINC001472010447 1064889950 /nfs/dbraw/zinc/88/99/50/1064889950.db2.gz DHBZYEREQYCFTP-UHFFFAOYSA-N 1 0 358.398 2.604 20 5 FFBDRO CC(C)[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC001472328637 1065018466 /nfs/dbraw/zinc/01/84/66/1065018466.db2.gz PRJVOJRLFLAEDH-SJLPKXTDSA-N 1 0 361.442 2.695 20 5 FFBDRO CC(C)CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[C@H]1CC[NH2+]C1 ZINC001575590970 1078155604 /nfs/dbraw/zinc/15/56/04/1078155604.db2.gz BDEJUEUHZIGIEB-OAHLLOKOSA-N 1 0 372.473 2.945 20 5 FFBDRO Nc1c(C(=O)NCC[NH+]2CCCCCC2)cc2ccccc2c1[N+](=O)[O-] ZINC001472487098 1065079221 /nfs/dbraw/zinc/07/92/21/1065079221.db2.gz GRGBDUGBWQTLKS-UHFFFAOYSA-N 1 0 356.426 2.936 20 5 FFBDRO CC(C)Cc1nnc(N(C)Cc2ccccc2[N+](=O)[O-])n1C[C@H]1CCC[NH2+]1 ZINC001575653253 1078160246 /nfs/dbraw/zinc/16/02/46/1078160246.db2.gz CIJBMTALFYKFGG-MRXNPFEDSA-N 1 0 372.473 2.773 20 5 FFBDRO CCOC(=O)c1cc([N+](=O)[O-])c(N2C[C@@]3(C)C[NH+](C)C[C@]3(C)C2)cc1C ZINC001472846810 1065156788 /nfs/dbraw/zinc/15/67/88/1065156788.db2.gz GWXOLVLBMFBQKK-RTBURBONSA-N 1 0 361.442 2.858 20 5 FFBDRO C[C@H]1CN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C1CCCC1 ZINC001473798676 1065367500 /nfs/dbraw/zinc/36/75/00/1065367500.db2.gz VNMVBOCOEQPSBI-HNNXBMFYSA-N 1 0 360.458 2.506 20 5 FFBDRO C[C@H]([NH3+])CN(C)C(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC001576149372 1078200782 /nfs/dbraw/zinc/20/07/82/1078200782.db2.gz GXWLNKLBDXIQAN-STQMWFEESA-N 1 0 357.414 2.582 20 5 FFBDRO CC1(C)CCC[C@H]([NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001473998528 1065438143 /nfs/dbraw/zinc/43/81/43/1065438143.db2.gz AYXZPOGORDCIEX-AWEZNQCLSA-N 1 0 369.487 2.822 20 5 FFBDRO CCOC(=O)COc1ccc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])cc1 ZINC001474506372 1065538681 /nfs/dbraw/zinc/53/86/81/1065538681.db2.gz WIFDZRPAJVFRDH-UHFFFAOYSA-N 1 0 373.409 2.502 20 5 FFBDRO C[C@@](CO)(Cc1ccccc1F)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC001474653056 1065572367 /nfs/dbraw/zinc/57/23/67/1065572367.db2.gz YIAYAQYIGFEGII-SFHVURJKSA-N 1 0 359.357 2.958 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001474833838 1065620750 /nfs/dbraw/zinc/62/07/50/1065620750.db2.gz BNEJYJWYZVYDDX-IUODEOHRSA-N 1 0 369.487 2.610 20 5 FFBDRO C[C@@H]1C[NH2+][C@@H](C)[C@@H](C)N1C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC001576878703 1078284170 /nfs/dbraw/zinc/28/41/70/1078284170.db2.gz IUDGKPMDXDWOOP-GRYCIOLGSA-N 1 0 355.822 2.614 20 5 FFBDRO C[NH2+][C@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2(C)CC2)C1 ZINC001578597849 1078497687 /nfs/dbraw/zinc/49/76/87/1078497687.db2.gz XPDWHHLODOWXCF-HNNXBMFYSA-N 1 0 370.457 2.842 20 5 FFBDRO C[NH2+]C[C@H](C)Cn1c(C2CC2)nnc1N(C)CCc1cccc([N+](=O)[O-])c1 ZINC001578631450 1078506472 /nfs/dbraw/zinc/50/64/72/1078506472.db2.gz CBKRZYYBHZVBAH-AWEZNQCLSA-N 1 0 372.473 2.598 20 5 FFBDRO COc1cccc([C@@H]2C[NH2+]CCN2Cc2cc([N+](=O)[O-])ccc2OC)c1 ZINC001579269175 1078606912 /nfs/dbraw/zinc/60/69/12/1078606912.db2.gz PAYMDVCJITWAOS-SFHVURJKSA-N 1 0 357.410 2.759 20 5 FFBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC001579516736 1078638316 /nfs/dbraw/zinc/63/83/16/1078638316.db2.gz SDQKCZQTLOKZLB-AWEZNQCLSA-N 1 0 356.220 2.523 20 5 FFBDRO [NH3+][C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CC=CCC2)C1 ZINC001580189219 1078762229 /nfs/dbraw/zinc/76/22/29/1078762229.db2.gz JPDATDWGAVAKEX-HOCLYGCPSA-N 1 0 368.441 2.747 20 5 FFBDRO [NH3+][C@@H]1CCO[C@H](C2CCN(c3ccc([N+](=O)[O-])c4cnccc43)CC2)C1 ZINC001580200980 1078765052 /nfs/dbraw/zinc/76/50/52/1078765052.db2.gz VZUYWRSAELGHJO-KUHUBIRLSA-N 1 0 356.426 2.866 20 5 FFBDRO [NH3+][C@@H]1CCO[C@@H](C2CCN(c3ccc([N+](=O)[O-])c4cnccc43)CC2)C1 ZINC001580200978 1078765392 /nfs/dbraw/zinc/76/53/92/1078765392.db2.gz VZUYWRSAELGHJO-AUUYWEPGSA-N 1 0 356.426 2.866 20 5 FFBDRO [NH3+][C@H]1CCc2ncc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)cc2C1 ZINC001580209040 1078766143 /nfs/dbraw/zinc/76/61/43/1078766143.db2.gz YNDGHVYCEACNST-LBPRGKRZSA-N 1 0 352.350 2.804 20 5 FFBDRO [NH3+]C[C@@]12CN(c3ncc(Br)cc3[N+](=O)[O-])C[C@@H]1CCCC2 ZINC001580256295 1078776704 /nfs/dbraw/zinc/77/67/04/1078776704.db2.gz SWGFZDKSVBFMAD-HZMBPMFUSA-N 1 0 355.236 2.708 20 5 FFBDRO O=C(CSc1ccccc1[N+](=O)[O-])Nc1ccnc([C@H]2CCC[NH2+]2)n1 ZINC001580564443 1078827396 /nfs/dbraw/zinc/82/73/96/1078827396.db2.gz ASSFDDIIBVPOTH-LLVKDONJSA-N 1 0 359.411 2.540 20 5 FFBDRO O=C(N[C@@H]1CC[NH2+]C2(CCC2)C1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001580613594 1078836918 /nfs/dbraw/zinc/83/69/18/1078836918.db2.gz DZCLMITVIXFDOP-OAHLLOKOSA-N 1 0 358.442 2.944 20 5 FFBDRO O=C(NCCC[C@@H]1CCC[NH2+]1)c1cc([N+](=O)[O-])ccc1Br ZINC001580680087 1078846685 /nfs/dbraw/zinc/84/66/85/1078846685.db2.gz HVQAXYWKDMTCGN-JTQLQIEISA-N 1 0 356.220 2.619 20 5 FFBDRO O=[N+]([O-])c1ccc(C[NH2+]CCc2ccc(-c3nn[nH]n3)cc2)cc1Cl ZINC001582803929 1079109769 /nfs/dbraw/zinc/10/97/69/1079109769.db2.gz CWTDDKWDVUQPRT-UHFFFAOYSA-N 1 0 358.789 2.761 20 5 FFBDRO CN(C(=O)c1ccc([N+](=O)[O-])cc1N)C1CC[NH+](CCC(F)(F)F)CC1 ZINC001557001314 1075797622 /nfs/dbraw/zinc/79/76/22/1075797622.db2.gz WDBFVKOJEUEXAC-UHFFFAOYSA-N 1 0 374.363 2.666 20 5 FFBDRO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001557866564 1075903023 /nfs/dbraw/zinc/90/30/23/1075903023.db2.gz WESBZSILJXZUML-HNNXBMFYSA-N 1 0 364.405 2.733 20 5 FFBDRO O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001557871516 1075903599 /nfs/dbraw/zinc/90/35/99/1075903599.db2.gz TYGCPEGJDNIMIH-CQSZACIVSA-N 1 0 359.813 2.905 20 5 FFBDRO C[C@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001585774454 1079499353 /nfs/dbraw/zinc/49/93/53/1079499353.db2.gz AGRLUSPIWAYBHY-CJNGLKHVSA-N 1 0 351.422 2.855 20 5 FFBDRO CC[N@@H+]1C[C@H](NC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])C(C)(C)C1 ZINC001558525073 1076024805 /nfs/dbraw/zinc/02/48/05/1076024805.db2.gz GHTGNKLQQFKIGY-HNNXBMFYSA-N 1 0 367.471 2.785 20 5 FFBDRO CN(CCn1ccc([N+](=O)[O-])n1)C[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001560090816 1076225395 /nfs/dbraw/zinc/22/53/95/1076225395.db2.gz MOUBJGVCXDEQMX-GOSISDBHSA-N 1 0 357.458 2.778 20 5 FFBDRO COc1ccc(CN2CC[NH+](CCCOC(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC001560104022 1076227922 /nfs/dbraw/zinc/22/79/22/1076227922.db2.gz HIJGWPGKFAAZMF-UHFFFAOYSA-N 1 0 365.474 2.926 20 5 FFBDRO C[C@@H]([NH2+]C[C@]1(O)CCN(C(=O)OC(C)(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC001560131861 1076232797 /nfs/dbraw/zinc/23/27/97/1076232797.db2.gz MCVLQODVVKXEBS-FZKQIMNGSA-N 1 0 365.430 2.617 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H]1CCN(c2ccccc2C(N)=O)C1 ZINC001560325304 1076263786 /nfs/dbraw/zinc/26/37/86/1076263786.db2.gz CBSINPNYZDCTNZ-HNNXBMFYSA-N 1 0 368.437 2.679 20 5 FFBDRO Cn1cc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])c(C2CCOCC2)n1 ZINC001560825321 1076303086 /nfs/dbraw/zinc/30/30/86/1076303086.db2.gz JBTNCXSWYJCDPM-UHFFFAOYSA-N 1 0 358.442 2.897 20 5 FFBDRO CCCN(CC[NH+]1CCCC1)C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC001568841660 1077114094 /nfs/dbraw/zinc/11/40/94/1077114094.db2.gz VGPJVNWYYIBELA-UHFFFAOYSA-N 1 0 372.828 2.918 20 5 FFBDRO C[N@H+](Cc1ccccc1)C1CN(C(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC001568903677 1077117622 /nfs/dbraw/zinc/11/76/22/1077117622.db2.gz DIVFHBAJDOYNSU-UHFFFAOYSA-N 1 0 368.437 2.740 20 5 FFBDRO C[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC12CCCCC2 ZINC001569328619 1077139602 /nfs/dbraw/zinc/13/96/02/1077139602.db2.gz RKJXJJVOCXGQKJ-UHFFFAOYSA-N 1 0 362.386 2.594 20 5 FFBDRO C[C@H](C(=O)N1CC[NH2+][C@@H](Cc2ccc(F)cc2)C1)c1cccc([N+](=O)[O-])c1 ZINC001586133378 1079557068 /nfs/dbraw/zinc/55/70/68/1079557068.db2.gz XKDQYFCAFIEMOO-KSSFIOAISA-N 1 0 371.412 2.881 20 5 FFBDRO CC[NH+]1CCC(CCNC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)CC1 ZINC001586975086 1079713960 /nfs/dbraw/zinc/71/39/60/1079713960.db2.gz QXJJRCMFVGODCM-UHFFFAOYSA-N 1 0 372.828 2.821 20 5 FFBDRO C[C@H](Cc1cccs1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001589902498 1080851915 /nfs/dbraw/zinc/85/19/15/1080851915.db2.gz GLOABVVTFJAUTK-LLVKDONJSA-N 1 0 358.427 2.899 20 5 FFBDRO Cc1c(NC(=O)c2cnn(CC[NH+]3CCCCC3)c2)cccc1[N+](=O)[O-] ZINC000359865641 210191621 /nfs/dbraw/zinc/19/16/21/210191621.db2.gz GSPJUZKTVWDSNJ-UHFFFAOYSA-N 1 0 357.414 2.838 20 5 FFBDRO Cc1nn(C)c(NCc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)c1[N+](=O)[O-] ZINC000051956972 249493771 /nfs/dbraw/zinc/49/37/71/249493771.db2.gz KPKKTHLRSXMCIZ-ZIAGYGMSSA-N 1 0 373.457 2.858 20 5 FFBDRO COc1ccc(C[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)cc1[N+](=O)[O-] ZINC000103466711 250151315 /nfs/dbraw/zinc/15/13/15/250151315.db2.gz WYEMHWLDLYYJPL-AWEZNQCLSA-N 1 0 357.414 2.521 20 5 FFBDRO CC[N@@H+]1CCCN(Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])CC1 ZINC000104951405 250191719 /nfs/dbraw/zinc/19/17/19/250191719.db2.gz KKVCGYDFTHAOSD-UHFFFAOYSA-N 1 0 359.373 2.732 20 5 FFBDRO Cn1cc(CNCC[N@H+](C)C2CCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000105497434 250214233 /nfs/dbraw/zinc/21/42/33/250214233.db2.gz PDLHCBYPLCGVOI-UHFFFAOYSA-N 1 0 357.458 2.959 20 5 FFBDRO Cn1c(Sc2ccc3ncccc3c2[N+](=O)[O-])nnc1[C@H]1CCC[NH2+]C1 ZINC000117866645 250364116 /nfs/dbraw/zinc/36/41/16/250364116.db2.gz UGMWVJLAEJPNLZ-NSHDSACASA-N 1 0 370.438 2.890 20 5 FFBDRO O=[N+]([O-])c1ccc(OCCC[NH+]2CCC(OC[C@@H]3CCOC3)CC2)cc1 ZINC000131787206 251020298 /nfs/dbraw/zinc/02/02/98/251020298.db2.gz MXGYQRLRRIOGSR-MRXNPFEDSA-N 1 0 364.442 2.881 20 5 FFBDRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)CNc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000131979453 251034984 /nfs/dbraw/zinc/03/49/84/251034984.db2.gz MEKRLTBXAVXLTE-KRWDZBQOSA-N 1 0 374.485 2.977 20 5 FFBDRO COc1ccc(OCC[N@@H+]2CCC[C@@H](c3nc(C)no3)C2)c([N+](=O)[O-])c1 ZINC000173562696 251208231 /nfs/dbraw/zinc/20/82/31/251208231.db2.gz WSUIVFRVDDHVLO-CYBMUJFWSA-N 1 0 362.386 2.553 20 5 FFBDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000186782211 251263239 /nfs/dbraw/zinc/26/32/39/251263239.db2.gz AXEBWTLYUVACEM-GXFFZTMASA-N 1 0 374.363 2.530 20 5 FFBDRO Cc1c(Br)c(N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)ncc1[N+](=O)[O-] ZINC000252844192 251312714 /nfs/dbraw/zinc/31/27/14/251312714.db2.gz DLIUBYGRRRJULW-DCAQKATOSA-N 1 0 355.236 2.624 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000264602702 251321483 /nfs/dbraw/zinc/32/14/83/251321483.db2.gz NUFYBAPOCBCDPJ-KRWDZBQOSA-N 1 0 360.458 2.792 20 5 FFBDRO CC(C)NC(=O)c1ccc(N2CC[C@H]([NH+]3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000264619738 251325233 /nfs/dbraw/zinc/32/52/33/251325233.db2.gz RJYFDNWWZGNLDE-INIZCTEOSA-N 1 0 360.458 2.798 20 5 FFBDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000270801228 251632202 /nfs/dbraw/zinc/63/22/02/251632202.db2.gz MACWWXIRTDQYHH-MSOLQXFVSA-N 1 0 358.442 2.896 20 5 FFBDRO CC1CC[NH+](CCN[C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000272517502 252057839 /nfs/dbraw/zinc/05/78/39/252057839.db2.gz KLADHWADKCERHA-SFHVURJKSA-N 1 0 357.458 2.739 20 5 FFBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)NCCCCc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000272637982 252087592 /nfs/dbraw/zinc/08/75/92/252087592.db2.gz XXZFFXKZMQFLEP-SJLPKXTDSA-N 1 0 360.458 2.653 20 5 FFBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)c1ncc([N+](=O)[O-])cc1Br ZINC000272601907 252077229 /nfs/dbraw/zinc/07/72/29/252077229.db2.gz XXIYCVSJOOXLQA-JTQLQIEISA-N 1 0 357.252 2.919 20 5 FFBDRO C[C@H](NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)C1=CC[N@H+](C)CC1 ZINC000272954833 252174311 /nfs/dbraw/zinc/17/43/11/252174311.db2.gz MZCLSNAQFXWKIW-AWEZNQCLSA-N 1 0 358.442 2.919 20 5 FFBDRO CC1(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CC[NH2+]CC1 ZINC000273026505 252195346 /nfs/dbraw/zinc/19/53/46/252195346.db2.gz RJOLEFVOKHQFHI-UHFFFAOYSA-N 1 0 374.210 2.616 20 5 FFBDRO C[C@]1([NH2+]CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CCO[C@H]1C1CC1 ZINC000273048999 252200715 /nfs/dbraw/zinc/20/07/15/252200715.db2.gz JYRZWDNLGPGCPA-HOTGVXAUSA-N 1 0 353.806 2.734 20 5 FFBDRO C[C@@H]([NH2+][C@H](C)c1cnn(C)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000273257080 252265107 /nfs/dbraw/zinc/26/51/07/252265107.db2.gz CWUWXJADJKRSKJ-NXEZZACHSA-N 1 0 351.794 2.660 20 5 FFBDRO Cc1[nH+]c2c(n1[C@H]1CCN(C(=O)c3c(N)cccc3[N+](=O)[O-])C1)CCCC2 ZINC000275446898 256008114 /nfs/dbraw/zinc/00/81/14/256008114.db2.gz DUTGTHQXJZKMFN-ZDUSSCGKSA-N 1 0 369.425 2.648 20 5 FFBDRO Cc1[nH+]c2c(n1[C@@H]1CCN(C(=O)c3c(N)cccc3[N+](=O)[O-])C1)CCCC2 ZINC000275446893 256008325 /nfs/dbraw/zinc/00/83/25/256008325.db2.gz DUTGTHQXJZKMFN-CYBMUJFWSA-N 1 0 369.425 2.648 20 5 FFBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000285765124 257003722 /nfs/dbraw/zinc/00/37/22/257003722.db2.gz KUZDWHSNHXVKOR-DOTOQJQBSA-N 1 0 372.469 2.894 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000277439609 256198270 /nfs/dbraw/zinc/19/82/70/256198270.db2.gz LEWWFRHGLORLHK-HNNXBMFYSA-N 1 0 364.446 2.834 20 5 FFBDRO Cc1cc(N2CCCC[C@H](S(C)(=O)=O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000277828522 256244796 /nfs/dbraw/zinc/24/47/96/256244796.db2.gz JPTBDNTZBJWOMX-AWEZNQCLSA-N 1 0 363.439 2.855 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000277615575 256217930 /nfs/dbraw/zinc/21/79/30/256217930.db2.gz QJNXZEXHPGOQDY-KBPBESRZSA-N 1 0 361.442 2.986 20 5 FFBDRO O=C(NC1CC1)c1ccc(NCC2CC[NH+](C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000277981907 256263798 /nfs/dbraw/zinc/26/37/98/256263798.db2.gz VZHIAVYBLQHVLA-UHFFFAOYSA-N 1 0 358.442 2.773 20 5 FFBDRO C[C@H]([NH2+][C@H]1CCC[C@H]1CCO)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000286261637 257028094 /nfs/dbraw/zinc/02/80/94/257028094.db2.gz STFUFWYPCMGJMP-MJVIPROJSA-N 1 0 355.822 2.716 20 5 FFBDRO COc1ccc(C[NH2+][C@H](C)c2ccc3c(c2)OCC(=O)N3)cc1[N+](=O)[O-] ZINC000286290657 257029897 /nfs/dbraw/zinc/02/98/97/257029897.db2.gz WGFFZCRIZBJULZ-LLVKDONJSA-N 1 0 357.366 2.785 20 5 FFBDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@@H+]2CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000286464132 257038554 /nfs/dbraw/zinc/03/85/54/257038554.db2.gz KOGDAEPTCDDXNP-XBRIKIQZSA-N 1 0 359.426 2.587 20 5 FFBDRO COc1cc(CCNC(=O)Nc2c(C)ccnc2C)c([N+](=O)[O-])cc1OC ZINC000287543467 257094869 /nfs/dbraw/zinc/09/48/69/257094869.db2.gz OKHICHOFWHTHLO-UHFFFAOYSA-N 1 0 374.397 2.988 20 5 FFBDRO CSc1ccc(C(=O)Nc2nc3c(s2)C[C@@H]([NH3+])CC3)cc1[N+](=O)[O-] ZINC000288820661 257230397 /nfs/dbraw/zinc/23/03/97/257230397.db2.gz UFYUXKGJYANZCA-VIFPVBQESA-N 1 0 364.452 2.842 20 5 FFBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC(c3noc4cc(F)ccc43)CC2)n1 ZINC000289379324 257277735 /nfs/dbraw/zinc/27/77/35/257277735.db2.gz CBUOKEBZKFZRMH-UHFFFAOYSA-N 1 0 359.361 2.951 20 5 FFBDRO COc1cc(C[N@H+](C)[C@@H](C)CO)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000289379032 257277861 /nfs/dbraw/zinc/27/78/61/257277861.db2.gz CDAFRQKZCITAFZ-AWEZNQCLSA-N 1 0 360.410 2.995 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC=C(c2cccnc2)C1 ZINC000289267227 257270634 /nfs/dbraw/zinc/27/06/34/257270634.db2.gz DPLLVJQHAWRFNC-KRWDZBQOSA-N 1 0 355.394 2.519 20 5 FFBDRO COc1ccc(C[C@@](C)(O)C[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1OC ZINC000289746865 257297028 /nfs/dbraw/zinc/29/70/28/257297028.db2.gz HYNKKYDPHFMQHM-LJQANCHMSA-N 1 0 360.410 2.695 20 5 FFBDRO C[NH+](C)[C@]1(CNC(=O)Nc2cccc([N+](=O)[O-])c2Cl)CCSC1 ZINC000289806889 257300405 /nfs/dbraw/zinc/30/04/05/257300405.db2.gz VJAFUJTWHRZUQH-AWEZNQCLSA-N 1 0 358.851 2.807 20 5 FFBDRO C[C@H]([NH2+]C[C@](C)(O)CNC(=O)OC(C)(C)C)c1ccccc1[N+](=O)[O-] ZINC000289584937 257288589 /nfs/dbraw/zinc/28/85/89/257288589.db2.gz RQXLLEPPAKNVHI-SJCJKPOMSA-N 1 0 353.419 2.521 20 5 FFBDRO COc1cc(C[NH2+][C@H](CO)C2CCCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000289593194 257288999 /nfs/dbraw/zinc/28/89/99/257288999.db2.gz RCGCLYWBQCWZCN-GFCCVEGCSA-N 1 0 360.357 2.846 20 5 FFBDRO CC[NH+](CC)[C@@H](CNc1nccc(C(N)=O)c1[N+](=O)[O-])c1ccsc1 ZINC000290581380 257343448 /nfs/dbraw/zinc/34/34/48/257343448.db2.gz VXPOQTOWCZONQL-ZDUSSCGKSA-N 1 0 363.443 2.645 20 5 FFBDRO CC[NH+](CC)Cc1ccccc1CNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290594871 257344507 /nfs/dbraw/zinc/34/45/07/257344507.db2.gz XYPZVBJSGRXAGK-UHFFFAOYSA-N 1 0 357.414 2.543 20 5 FFBDRO Cc1c(C(=O)N2CC[C@H](c3ccc(F)cc3)[C@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000296834225 257756042 /nfs/dbraw/zinc/75/60/42/257756042.db2.gz BHSSPNHECFWLIP-IAGOWNOFSA-N 1 0 357.385 2.999 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N3CCC[C@@H]([NH3+])[C@H]3C)cc2[N+](=O)[O-])CC1 ZINC000297371872 257824116 /nfs/dbraw/zinc/82/41/16/257824116.db2.gz LSNODRNOXPKDDV-GDBMZVCRSA-N 1 0 360.458 2.783 20 5 FFBDRO CC[NH+]1CCN(c2ccc(CNc3ccc([N+](=O)[O-])cc3F)cn2)CC1 ZINC000301102157 258025331 /nfs/dbraw/zinc/02/53/31/258025331.db2.gz OJNIELQFCPTROD-UHFFFAOYSA-N 1 0 359.405 2.883 20 5 FFBDRO C[C@H]1CCC[C@@](CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])([NH+](C)C)C1 ZINC000301102697 258025542 /nfs/dbraw/zinc/02/55/42/258025542.db2.gz RWFQCLXYJIXYTD-SUMWQHHRSA-N 1 0 369.487 2.921 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)n1 ZINC000302071617 258086080 /nfs/dbraw/zinc/08/60/80/258086080.db2.gz YQSNDXUQMVIWTK-KRWDZBQOSA-N 1 0 356.426 2.867 20 5 FFBDRO Cc1nn(C)c(N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000312058466 258115445 /nfs/dbraw/zinc/11/54/45/258115445.db2.gz GSQSCKPGJXWNCR-IAGOWNOFSA-N 1 0 355.442 2.595 20 5 FFBDRO Cc1c(CO)cc([N+](=O)[O-])c(N[C@@H](C)C[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000301518260 258053617 /nfs/dbraw/zinc/05/36/17/258053617.db2.gz KMSPRQWCQXOTOZ-NSHDSACASA-N 1 0 352.391 2.590 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000301529387 258054394 /nfs/dbraw/zinc/05/43/94/258054394.db2.gz JDSTTZGQKMIOQS-UHFFFAOYSA-N 1 0 362.474 2.942 20 5 FFBDRO C[C@@H]1C[N@@H+](CCCNc2ncc([N+](=O)[O-])cc2Br)C[C@H](C)O1 ZINC000301546421 258055239 /nfs/dbraw/zinc/05/52/39/258055239.db2.gz POWBXXJKTDVMHO-PHIMTYICSA-N 1 0 373.251 2.664 20 5 FFBDRO CC1CC[NH+](C[C@@H](O)CNc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000301573241 258056709 /nfs/dbraw/zinc/05/67/09/258056709.db2.gz YYBIUCLYIVFTHM-ZDUSSCGKSA-N 1 0 372.263 2.862 20 5 FFBDRO CC(C)C[N@@H+]1CCO[C@@H](CNc2ncc([N+](=O)[O-])cc2Br)C1 ZINC000301579610 258057341 /nfs/dbraw/zinc/05/73/41/258057341.db2.gz ZZLWLVBFGWIDQW-LBPRGKRZSA-N 1 0 373.251 2.521 20 5 FFBDRO C[NH+](C)[C@H](CNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2)c1cccs1 ZINC000301614358 258058797 /nfs/dbraw/zinc/05/87/97/258058797.db2.gz UMCBSDAUNQJAHR-CYBMUJFWSA-N 1 0 362.411 2.702 20 5 FFBDRO C[NH+](C)[C@H](CNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2)C1CCCCC1 ZINC000301667490 258062255 /nfs/dbraw/zinc/06/22/55/258062255.db2.gz CSXLGAQIXZOVJR-MRXNPFEDSA-N 1 0 362.430 2.848 20 5 FFBDRO CC(C)(C)Oc1cc(N2CC[C@@H](C[NH+]3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000301904050 258073791 /nfs/dbraw/zinc/07/37/91/258073791.db2.gz PIYDDKPHPWHADV-HNNXBMFYSA-N 1 0 363.458 2.931 20 5 FFBDRO C[C@H]1C[C@H](Nc2ccc3ncc([N+](=O)[O-])n3n2)C[N@@H+]1Cc1ccccc1 ZINC000301975104 258079766 /nfs/dbraw/zinc/07/97/66/258079766.db2.gz VRNZXIZBMRZTPX-ZFWWWQNUSA-N 1 0 352.398 2.712 20 5 FFBDRO CC[N@@H+]1C[C@H](C)N(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC000330554593 258165478 /nfs/dbraw/zinc/16/54/78/258165478.db2.gz GIDZHFJTJWHNGW-RYUDHWBXSA-N 1 0 354.838 2.601 20 5 FFBDRO COc1cc(CN2C[C@@H](C)[N@H+](C)C[C@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000330585611 258166116 /nfs/dbraw/zinc/16/61/16/258166116.db2.gz LJAPIOUJKGVGSN-GHMZBOCLSA-N 1 0 359.373 2.729 20 5 FFBDRO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000330918335 258173570 /nfs/dbraw/zinc/17/35/70/258173570.db2.gz MZROBBOGGSGYMI-SFHVURJKSA-N 1 0 361.442 2.839 20 5 FFBDRO CC(C)c1ccc(C[NH2+][C@H]2CCCC[C@@H]2NS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000331023909 258175306 /nfs/dbraw/zinc/17/53/06/258175306.db2.gz RWHWGGNYOGLGIZ-HOTGVXAUSA-N 1 0 369.487 2.668 20 5 FFBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000332075797 258212668 /nfs/dbraw/zinc/21/26/68/258212668.db2.gz FWQNKAQGXRRGMH-WCQYABFASA-N 1 0 369.368 2.895 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000332420603 258229761 /nfs/dbraw/zinc/22/97/61/258229761.db2.gz WHDMLNNSIJAPSN-PBHICJAKSA-N 1 0 362.430 2.572 20 5 FFBDRO C[C@@H](CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)[N@@H+]1CCC[C@H](C)C1 ZINC000053160503 506324026 /nfs/dbraw/zinc/32/40/26/506324026.db2.gz JAHANGZZVCXIMP-GJZGRUSLSA-N 1 0 371.441 2.631 20 5 FFBDRO COC(=O)c1cc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c(C)s1 ZINC000373284376 512255641 /nfs/dbraw/zinc/25/56/41/512255641.db2.gz KXINGGSFLMRIAM-UHFFFAOYSA-N 1 0 364.427 2.785 20 5 FFBDRO CCC[NH+]1CCC(N(C)S(=O)(=O)c2cc([N+](=O)[O-])ccc2CC)CC1 ZINC000065971087 506402835 /nfs/dbraw/zinc/40/28/35/506402835.db2.gz GWUNCGFFPAYBFF-UHFFFAOYSA-N 1 0 369.487 2.652 20 5 FFBDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000053698819 506433793 /nfs/dbraw/zinc/43/37/93/506433793.db2.gz SVROPQDVIKZSNF-CQSZACIVSA-N 1 0 369.487 2.525 20 5 FFBDRO CC(C)[N@H+](C)CCCNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000041319102 506505867 /nfs/dbraw/zinc/50/58/67/506505867.db2.gz CRSIKXFACQZWIC-UHFFFAOYSA-N 1 0 362.474 2.658 20 5 FFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000041904682 506567216 /nfs/dbraw/zinc/56/72/16/506567216.db2.gz NDCQZPNIZMLJIE-HNNXBMFYSA-N 1 0 360.439 2.927 20 5 FFBDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000043342986 506734943 /nfs/dbraw/zinc/73/49/43/506734943.db2.gz MWDVDGIAWXVIPT-ZDUSSCGKSA-N 1 0 370.837 2.727 20 5 FFBDRO C[C@H]1C[NH+](CCCNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)O1 ZINC000043342423 506735155 /nfs/dbraw/zinc/73/51/55/506735155.db2.gz IXWVBQAKXJDAGA-RYUDHWBXSA-N 1 0 370.837 2.869 20 5 FFBDRO CC(C)C[NH+]1CCC(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC1 ZINC000067265187 506807737 /nfs/dbraw/zinc/80/77/37/506807737.db2.gz GOSXJQLCTJEUNP-UHFFFAOYSA-N 1 0 371.441 2.631 20 5 FFBDRO CC(C)[NH+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(C)C ZINC000055985186 506902912 /nfs/dbraw/zinc/90/29/12/506902912.db2.gz GLKFYZHJBGETPO-UHFFFAOYSA-N 1 0 363.867 2.645 20 5 FFBDRO Cc1ccc([C@@H](C)[NH2+]Cc2cnc(-c3cnn(C)c3)nc2)cc1[N+](=O)[O-] ZINC000373389000 512306740 /nfs/dbraw/zinc/30/67/40/512306740.db2.gz BWMRDXACUMSPRD-CYBMUJFWSA-N 1 0 352.398 2.945 20 5 FFBDRO O=C1[C@@H]([NH2+][C@@H]2CCCC23CCOCC3)CCN1c1cccc([N+](=O)[O-])c1 ZINC000367050717 512314283 /nfs/dbraw/zinc/31/42/83/512314283.db2.gz RSRIANKFTMKEBH-DLBZAZTESA-N 1 0 359.426 2.639 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000056527681 507037934 /nfs/dbraw/zinc/03/79/34/507037934.db2.gz QSSITQWJDUTRPW-HNNXBMFYSA-N 1 0 372.425 2.898 20 5 FFBDRO COc1ccc(CC(=O)NC[C@@H](c2cccs2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000067900345 507046776 /nfs/dbraw/zinc/04/67/76/507046776.db2.gz HYAXMDHWYMPOTA-AWEZNQCLSA-N 1 0 363.439 2.627 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000045948325 507050845 /nfs/dbraw/zinc/05/08/45/507050845.db2.gz OSDWFBGASOZICW-OLZOCXBDSA-N 1 0 350.419 2.988 20 5 FFBDRO C[C@@H](CNC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000068195859 507144213 /nfs/dbraw/zinc/14/42/13/507144213.db2.gz VDDVPDOWMFPUOC-QWRGUYRKSA-N 1 0 355.822 2.614 20 5 FFBDRO C[NH+]1CCN(Cc2cccc(NC(=O)c3csc([N+](=O)[O-])c3)c2)CC1 ZINC000057055041 507162268 /nfs/dbraw/zinc/16/22/68/507162268.db2.gz MCXHGYRPHIDFTK-UHFFFAOYSA-N 1 0 360.439 2.656 20 5 FFBDRO C[NH+](C)CCOc1ccc(NC(=O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000046724072 507181938 /nfs/dbraw/zinc/18/19/38/507181938.db2.gz PLBCCURAKANRKI-UHFFFAOYSA-N 1 0 359.382 2.553 20 5 FFBDRO C[NH+](C)CCOc1ccc(NC(=O)CCNc2ccccc2[N+](=O)[O-])cc1 ZINC000046722782 507182362 /nfs/dbraw/zinc/18/23/62/507182362.db2.gz YPIOSOSXGJSMJF-UHFFFAOYSA-N 1 0 372.425 2.976 20 5 FFBDRO Cc1sc(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)cc1[N+](=O)[O-] ZINC000057167413 507192947 /nfs/dbraw/zinc/19/29/47/507192947.db2.gz VPBJJZBGHZTMSH-UHFFFAOYSA-N 1 0 360.439 2.754 20 5 FFBDRO C[C@@H]1CCC[N@H+](CCNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000047145528 507272814 /nfs/dbraw/zinc/27/28/14/507272814.db2.gz HUFIMNVYTOMTLD-OAHLLOKOSA-N 1 0 360.458 2.657 20 5 FFBDRO CC[N@@H+]1CCC[C@H](CNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000069143289 507420177 /nfs/dbraw/zinc/42/01/77/507420177.db2.gz IATKUDAOPCSLDR-MRXNPFEDSA-N 1 0 374.485 2.659 20 5 FFBDRO O=C(NCCC[NH2+]C1CCCCC1)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000069469760 507494725 /nfs/dbraw/zinc/49/47/25/507494725.db2.gz PQUKXNMOHHWZMP-UHFFFAOYSA-N 1 0 364.446 2.585 20 5 FFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000059850242 507504783 /nfs/dbraw/zinc/50/47/83/507504783.db2.gz ZGWIQHGHSIMCLL-SFHVURJKSA-N 1 0 353.422 2.918 20 5 FFBDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000048397391 507517523 /nfs/dbraw/zinc/51/75/23/507517523.db2.gz DKUACNYGDJLVOY-HNNXBMFYSA-N 1 0 371.441 2.775 20 5 FFBDRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000070871119 507650048 /nfs/dbraw/zinc/65/00/48/507650048.db2.gz IAXDZNAWULRTCP-ZDUSSCGKSA-N 1 0 365.430 2.606 20 5 FFBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000063490262 507739024 /nfs/dbraw/zinc/73/90/24/507739024.db2.gz BPUOKUSJDITXCG-HNNXBMFYSA-N 1 0 360.458 2.655 20 5 FFBDRO CC(=O)Nc1cccc([C@@H](C)[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000028917731 507749214 /nfs/dbraw/zinc/74/92/14/507749214.db2.gz VQTBXTOPYYUWKN-ACJLOTCBSA-N 1 0 373.409 2.644 20 5 FFBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000051341658 507762759 /nfs/dbraw/zinc/76/27/59/507762759.db2.gz GXZDJNUYWLJJJQ-AWEZNQCLSA-N 1 0 360.439 2.932 20 5 FFBDRO O=C(COc1ccc([N+](=O)[O-])cc1)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000029938989 507796576 /nfs/dbraw/zinc/79/65/76/507796576.db2.gz RBKMBAILNJNGLT-KRWDZBQOSA-N 1 0 373.409 2.910 20 5 FFBDRO CC[NH+](CC)CCOc1ccc(CNc2c([N+](=O)[O-])c(C)nn2C)cc1 ZINC000052161502 507799681 /nfs/dbraw/zinc/79/96/81/507799681.db2.gz JSQYVDXRUIWSEW-UHFFFAOYSA-N 1 0 361.446 2.969 20 5 FFBDRO C[C@H]1C[C@H](C)C[NH+](CCCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000052305825 507805584 /nfs/dbraw/zinc/80/55/84/507805584.db2.gz SFPCRGXIYKTGND-KBPBESRZSA-N 1 0 369.487 2.778 20 5 FFBDRO CC[NH+](CC)CC1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000052357608 507807297 /nfs/dbraw/zinc/80/72/97/507807297.db2.gz RHBDCLBSMJTKOE-UHFFFAOYSA-N 1 0 369.487 2.557 20 5 FFBDRO COc1c(C)cnc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1C ZINC000072665140 507840108 /nfs/dbraw/zinc/84/01/08/507840108.db2.gz VHNAQAXHBKRSFY-AWEZNQCLSA-N 1 0 357.414 2.697 20 5 FFBDRO Cc1cc2ncc([C@@H](C)[NH2+]CCOc3ccc([N+](=O)[O-])cc3)c(C)n2n1 ZINC000089580990 507847295 /nfs/dbraw/zinc/84/72/95/507847295.db2.gz WEYSOVKAQYBHTI-CYBMUJFWSA-N 1 0 355.398 2.984 20 5 FFBDRO CCSCC[C@H](C)[N@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000072900775 507871228 /nfs/dbraw/zinc/87/12/28/507871228.db2.gz BHCQSCLGMFUMOF-ZDUSSCGKSA-N 1 0 351.472 2.947 20 5 FFBDRO CCOC[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000072976710 507879323 /nfs/dbraw/zinc/87/93/23/507879323.db2.gz AUMLHAJMZWKLSE-AWEZNQCLSA-N 1 0 365.430 2.681 20 5 FFBDRO Cc1ccc([C@@H](C)[NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000090015360 507902105 /nfs/dbraw/zinc/90/21/05/507902105.db2.gz XFHRMDDSPGBDAW-CQSZACIVSA-N 1 0 363.439 2.532 20 5 FFBDRO CCC[C@@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000090016973 507902110 /nfs/dbraw/zinc/90/21/10/507902110.db2.gz LERCZCKFPLJQKP-IAGOWNOFSA-N 1 0 357.414 2.565 20 5 FFBDRO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)C2 ZINC000073994748 507975300 /nfs/dbraw/zinc/97/53/00/507975300.db2.gz VEYBLLVOBSLLCF-GOEBONIOSA-N 1 0 358.442 2.504 20 5 FFBDRO Cc1c(NC(=O)CC[NH+]2CCC(n3ccnc3)CC2)cccc1[N+](=O)[O-] ZINC000109795570 507987753 /nfs/dbraw/zinc/98/77/53/507987753.db2.gz WTCVTGZEXMJMDO-UHFFFAOYSA-N 1 0 357.414 2.765 20 5 FFBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000079771252 507999893 /nfs/dbraw/zinc/99/98/93/507999893.db2.gz MMOIPWPUZUVUJQ-LLVKDONJSA-N 1 0 356.220 2.571 20 5 FFBDRO CCCC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000110264323 508017088 /nfs/dbraw/zinc/01/70/88/508017088.db2.gz RTDSUUKWUZJMAZ-MRXNPFEDSA-N 1 0 369.487 2.836 20 5 FFBDRO CCC[NH+]1CCC(N(C)Cc2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000092165571 508047344 /nfs/dbraw/zinc/04/73/44/508047344.db2.gz INXIUSNLPHBUGS-UHFFFAOYSA-N 1 0 351.447 2.918 20 5 FFBDRO CN(Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000092253379 508054775 /nfs/dbraw/zinc/05/47/75/508054775.db2.gz YIYDRPRMEWKNCA-OAHLLOKOSA-N 1 0 357.458 2.769 20 5 FFBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000110992509 508064001 /nfs/dbraw/zinc/06/40/01/508064001.db2.gz PMGBJZIJPOYQAR-GFCCVEGCSA-N 1 0 367.471 2.930 20 5 FFBDRO O=C(NCCc1ccccc1[N+](=O)[O-])NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000080598427 508086919 /nfs/dbraw/zinc/08/69/19/508086919.db2.gz ZNEVHZXQVCWLMZ-QGZVFWFLSA-N 1 0 372.425 2.867 20 5 FFBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)C1 ZINC000075215895 508090471 /nfs/dbraw/zinc/09/04/71/508090471.db2.gz BRGUDUZZYIDLGL-ZDUSSCGKSA-N 1 0 364.402 2.615 20 5 FFBDRO C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)C2 ZINC000080718547 508097908 /nfs/dbraw/zinc/09/79/08/508097908.db2.gz GEKPSCLTSHRBCZ-MQVJKMGUSA-N 1 0 372.469 2.940 20 5 FFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3cccc4c3OCCCO4)C2)nc1 ZINC000093534232 508147346 /nfs/dbraw/zinc/14/73/46/508147346.db2.gz UCPVCLRMEOYINE-OAHLLOKOSA-N 1 0 370.409 2.838 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000081634880 508200006 /nfs/dbraw/zinc/20/00/06/508200006.db2.gz RCPXTMKWCQEBEZ-INIZCTEOSA-N 1 0 360.458 2.505 20 5 FFBDRO CC(C)OCC[NH+]1CCC(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000081997853 508224202 /nfs/dbraw/zinc/22/42/02/508224202.db2.gz YTIRIOYPQCPEMB-UHFFFAOYSA-N 1 0 374.441 2.695 20 5 FFBDRO COc1ccccc1[C@H](CNc1c([N+](=O)[O-])ncn1C)[NH+]1CCCCC1 ZINC000076871393 508259101 /nfs/dbraw/zinc/25/91/01/508259101.db2.gz WKSULHKUAOKRLW-HNNXBMFYSA-N 1 0 359.430 2.976 20 5 FFBDRO C[NH+](C)[C@H](CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C1CC1 ZINC000076925726 508263390 /nfs/dbraw/zinc/26/33/90/508263390.db2.gz YWURNMDBBPGVFL-HXUWFJFHSA-N 1 0 363.461 2.611 20 5 FFBDRO C[NH+](C)CCCOc1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000103126679 508297571 /nfs/dbraw/zinc/29/75/71/508297571.db2.gz DBMWQOZDYLCJBG-UHFFFAOYSA-N 1 0 357.410 2.855 20 5 FFBDRO C[C@@H]1C[NH+](CCCCNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C[C@@H](C)O1 ZINC000085456942 508309672 /nfs/dbraw/zinc/30/96/72/508309672.db2.gz AHAJRVYAZGPOCG-ZIAGYGMSSA-N 1 0 374.441 2.695 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000103450220 508312344 /nfs/dbraw/zinc/31/23/44/508312344.db2.gz BDKNHVWZNBCAIW-LBPRGKRZSA-N 1 0 369.849 2.816 20 5 FFBDRO CN1CC[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000377673637 512389651 /nfs/dbraw/zinc/38/96/51/512389651.db2.gz MVJLOHRLKFZEFX-HOTGVXAUSA-N 1 0 367.812 2.619 20 5 FFBDRO O=C(CC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)N1CCc2ccccc21 ZINC000088605645 508378222 /nfs/dbraw/zinc/37/82/22/508378222.db2.gz DEKXCWWDGBRWBX-UHFFFAOYSA-N 1 0 351.406 2.932 20 5 FFBDRO C[NH2+][C@@H]1CCCN(C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000133533527 508412711 /nfs/dbraw/zinc/41/27/11/508412711.db2.gz XNAKNSWABKWGOH-GFCCVEGCSA-N 1 0 374.363 2.626 20 5 FFBDRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000121778971 508416987 /nfs/dbraw/zinc/41/69/87/508416987.db2.gz KNXKELPOKAIJDE-MRXNPFEDSA-N 1 0 358.442 2.753 20 5 FFBDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000121838577 508429227 /nfs/dbraw/zinc/42/92/27/508429227.db2.gz OTYMKNFDBOBNEU-OAHLLOKOSA-N 1 0 371.441 2.775 20 5 FFBDRO COc1cc(C(=O)NCCC[N@H+](C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000133818632 508454481 /nfs/dbraw/zinc/45/44/81/508454481.db2.gz BNRQEJGBLCKLTH-UHFFFAOYSA-N 1 0 357.410 2.855 20 5 FFBDRO Cc1c(NC(=O)CC[N@@H+]2CCc3ccccc3[C@H]2CO)cccc1[N+](=O)[O-] ZINC000133846343 508457869 /nfs/dbraw/zinc/45/78/69/508457869.db2.gz NLXNNHQJMYFSJJ-LJQANCHMSA-N 1 0 369.421 2.824 20 5 FFBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000121986934 508463025 /nfs/dbraw/zinc/46/30/25/508463025.db2.gz LTWLQJWJMRRYPK-YPMHNXCESA-N 1 0 355.822 2.745 20 5 FFBDRO C[NH+](C)CCn1cc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cn1 ZINC000116198723 508486362 /nfs/dbraw/zinc/48/63/62/508486362.db2.gz ALBBXQHDYANORI-UHFFFAOYSA-N 1 0 359.411 2.820 20 5 FFBDRO O=C(NCc1ccccc1C[NH+]1CCCCCC1)c1[nH]ncc1[N+](=O)[O-] ZINC000157084408 508520553 /nfs/dbraw/zinc/52/05/53/508520553.db2.gz VCYDSJZFCMJKKJ-UHFFFAOYSA-N 1 0 357.414 2.624 20 5 FFBDRO C[C@@H](C(=O)NCc1ccc(F)cc1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153039647 508541356 /nfs/dbraw/zinc/54/13/56/508541356.db2.gz DOLLUQSICIHOIS-ZDUSSCGKSA-N 1 0 357.385 2.797 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N[C@@H]3CCC[C@@H]3C[NH3+])cc2[N+](=O)[O-])C1 ZINC000157624306 508589803 /nfs/dbraw/zinc/58/98/03/508589803.db2.gz VHCBTAGBUWUDDE-FVQBIDKESA-N 1 0 360.458 2.688 20 5 FFBDRO Cc1c(CC(=O)N(CC[NH+](C)C)Cc2cccc(O)c2)cccc1[N+](=O)[O-] ZINC000153568755 508599975 /nfs/dbraw/zinc/59/99/75/508599975.db2.gz CRTMLEMLTHIRFV-UHFFFAOYSA-N 1 0 371.437 2.742 20 5 FFBDRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000153657124 508619008 /nfs/dbraw/zinc/61/90/08/508619008.db2.gz GTTHDIDRQMQNTJ-ZIAGYGMSSA-N 1 0 367.881 2.638 20 5 FFBDRO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000153774869 508645752 /nfs/dbraw/zinc/64/57/52/508645752.db2.gz TWUUVTZSDWJKBG-KYJSFNMBSA-N 1 0 363.458 2.645 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H]1CCCC[C@H]1n1cccn1 ZINC000128934333 508661253 /nfs/dbraw/zinc/66/12/53/508661253.db2.gz WAOZLSXXRHUMIO-DOTOQJQBSA-N 1 0 357.414 2.812 20 5 FFBDRO O=C(CC[N@@H+]1CC[C@H]2OCCC[C@@H]2C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000128960833 508664815 /nfs/dbraw/zinc/66/48/15/508664815.db2.gz OWVLWDARAPYHQQ-MLGOLLRUSA-N 1 0 351.378 2.563 20 5 FFBDRO C[NH+](C)CCC1CCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000118868674 508688535 /nfs/dbraw/zinc/68/85/35/508688535.db2.gz OQAGLXBDLKWUEL-UHFFFAOYSA-N 1 0 368.865 2.850 20 5 FFBDRO CN(C(=O)c1ccc([N+](=O)[O-])cc1Br)C1CC[NH+](C)CC1 ZINC000158353487 508692093 /nfs/dbraw/zinc/69/20/93/508692093.db2.gz RIHAGHBOOUXXSA-UHFFFAOYSA-N 1 0 356.220 2.524 20 5 FFBDRO C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C1CCC(CO)CC1 ZINC000129271778 508706176 /nfs/dbraw/zinc/70/61/76/508706176.db2.gz ZSNFIYYZEOYHKO-UHFFFAOYSA-N 1 0 353.394 2.545 20 5 FFBDRO CC[NH+](CC)CCCNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000158482026 508710866 /nfs/dbraw/zinc/71/08/66/508710866.db2.gz BPCLZVUGYXUQSN-UHFFFAOYSA-N 1 0 358.236 2.819 20 5 FFBDRO CC[N@H+](CCO)Cc1ccc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000158680654 508738424 /nfs/dbraw/zinc/73/84/24/508738424.db2.gz PZWIJPUOCVEBBT-UHFFFAOYSA-N 1 0 360.410 2.997 20 5 FFBDRO C[C@H]1C[C@@H](NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)C[N@@H+]1C1CC1 ZINC000154241950 508743881 /nfs/dbraw/zinc/74/38/81/508743881.db2.gz IUVIJSUCHKKNRE-DZGCQCFKSA-N 1 0 358.442 2.894 20 5 FFBDRO O=[N+]([O-])c1ccc(CN2CCC(CC[NH+]3CCOCC3)CC2)cc1F ZINC000367266722 512416148 /nfs/dbraw/zinc/41/61/48/512416148.db2.gz JDLYEFWPSCZISV-UHFFFAOYSA-N 1 0 351.422 2.668 20 5 FFBDRO C[C@@H]1C[C@@H](N(C)C(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000124068731 508779160 /nfs/dbraw/zinc/77/91/60/508779160.db2.gz ABLFHMQMMMCBHJ-CJNGLKHVSA-N 1 0 371.441 2.550 20 5 FFBDRO O=C(CNc1ccccc1[N+](=O)[O-])NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000159060175 508787637 /nfs/dbraw/zinc/78/76/37/508787637.db2.gz GONNZVMGGOZTGV-MRXNPFEDSA-N 1 0 358.398 2.553 20 5 FFBDRO Cc1c(C[N@H+](C)CCN2C(=O)c3ccccc3C2=O)cccc1[N+](=O)[O-] ZINC000159063667 508788288 /nfs/dbraw/zinc/78/82/88/508788288.db2.gz YFKRXCDXGGPIHO-UHFFFAOYSA-N 1 0 353.378 2.631 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000154468618 508791349 /nfs/dbraw/zinc/79/13/49/508791349.db2.gz AVDSQHWURSATFG-CQSZACIVSA-N 1 0 362.430 2.943 20 5 FFBDRO CN(C(=O)c1cccc([N+](=O)[O-])c1Br)[C@@H]1CCC[N@H+](C)C1 ZINC000159103495 508792932 /nfs/dbraw/zinc/79/29/32/508792932.db2.gz SFITXCZQJQCYBZ-SNVBAGLBSA-N 1 0 356.220 2.524 20 5 FFBDRO C[C@H]([NH2+]C1(CNC(=O)c2[nH]ncc2[N+](=O)[O-])CCCC1)c1ccccc1 ZINC000154505984 508797864 /nfs/dbraw/zinc/79/78/64/508797864.db2.gz MIFIOHUHFZMEML-ZDUSSCGKSA-N 1 0 357.414 2.711 20 5 FFBDRO COc1cc(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000119588304 508823873 /nfs/dbraw/zinc/82/38/73/508823873.db2.gz BWGZVRNRUNFATM-YOEHRIQHSA-N 1 0 369.421 2.854 20 5 FFBDRO C[NH+](C)[C@H](CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)c1ccc(F)cc1 ZINC000130798029 508848373 /nfs/dbraw/zinc/84/83/73/508848373.db2.gz PKZNPJBKEJPRSP-MRXNPFEDSA-N 1 0 371.372 2.643 20 5 FFBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000119726411 508851815 /nfs/dbraw/zinc/85/18/15/508851815.db2.gz CMMQWLQEFBCYBI-AWEZNQCLSA-N 1 0 360.458 2.877 20 5 FFBDRO C[NH+](C)[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1F)c1cccc(F)c1 ZINC000124576864 508854152 /nfs/dbraw/zinc/85/41/52/508854152.db2.gz HFMCSUSCKHUEED-QGZVFWFLSA-N 1 0 363.364 2.835 20 5 FFBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000119766230 508859417 /nfs/dbraw/zinc/85/94/17/508859417.db2.gz SBRVAZKBRPWDMZ-LBPRGKRZSA-N 1 0 358.826 2.727 20 5 FFBDRO CC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2SCCOC)CC1 ZINC000130893050 508861880 /nfs/dbraw/zinc/86/18/80/508861880.db2.gz FWPYJJORFSRMES-UHFFFAOYSA-N 1 0 367.471 2.547 20 5 FFBDRO Cc1ccccc1[C@@H](C)[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000159646310 508870195 /nfs/dbraw/zinc/87/01/95/508870195.db2.gz GORNCKDTPADOPA-CQSZACIVSA-N 1 0 363.439 2.532 20 5 FFBDRO CCOC(=O)c1cc(NC2CC[NH+](CCCOC)CC2)ccc1[N+](=O)[O-] ZINC000124764133 508881302 /nfs/dbraw/zinc/88/13/02/508881302.db2.gz JUDUTIBXXUFFHU-UHFFFAOYSA-N 1 0 365.430 2.684 20 5 FFBDRO COc1ccc(OC)c([C@H]2CCC[N@@H+]2CCn2cc([N+](=O)[O-])ccc2=O)c1 ZINC000159731284 508881414 /nfs/dbraw/zinc/88/14/14/508881414.db2.gz RYLFLCDLDVSQKT-QGZVFWFLSA-N 1 0 373.409 2.611 20 5 FFBDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000150779591 508892193 /nfs/dbraw/zinc/89/21/93/508892193.db2.gz RVDGTXLWEPXHKK-ZDUSSCGKSA-N 1 0 351.422 2.903 20 5 FFBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+](CCCO)[C@@H]1CCCc2ccccc21 ZINC000159871196 508903979 /nfs/dbraw/zinc/90/39/79/508903979.db2.gz FEHFGWSFOGTRTO-LJQANCHMSA-N 1 0 371.437 2.519 20 5 FFBDRO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CCC(=O)OC(C)(C)C ZINC000150898618 508917498 /nfs/dbraw/zinc/91/74/98/508917498.db2.gz KOXNNBIJMWFHJG-UHFFFAOYSA-N 1 0 351.403 2.587 20 5 FFBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](OCC(C)C)C2)c([N+](=O)[O-])c1 ZINC000120075626 508922606 /nfs/dbraw/zinc/92/26/06/508922606.db2.gz PBXCENYUNPKSMB-OAHLLOKOSA-N 1 0 365.430 2.679 20 5 FFBDRO CC(C)(NCc1nc2cc([N+](=O)[O-])ccc2o1)C(=O)NCC1CCCC1 ZINC000155136737 508931420 /nfs/dbraw/zinc/93/14/20/508931420.db2.gz IMLUENJXCFMXJS-UHFFFAOYSA-N 1 0 360.414 2.911 20 5 FFBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000120183681 508945871 /nfs/dbraw/zinc/94/58/71/508945871.db2.gz ZLDTYAQPNUYWQE-OAHLLOKOSA-N 1 0 360.458 2.783 20 5 FFBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000125256937 508956252 /nfs/dbraw/zinc/95/62/52/508956252.db2.gz FKVCWPLYQLQRDL-VQIMIIECSA-N 1 0 372.469 2.796 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H]3CCCS3(=O)=O)s2)cc1 ZINC000131735727 508964932 /nfs/dbraw/zinc/96/49/32/508964932.db2.gz QQVKSBCCSMOTSA-HNNXBMFYSA-N 1 0 366.464 2.990 20 5 FFBDRO CCOC(=O)c1ccnc(N2CCC[C@@H]2C[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000160440547 508987601 /nfs/dbraw/zinc/98/76/01/508987601.db2.gz GRNXWTWTIZZVHX-CQSZACIVSA-N 1 0 362.430 2.621 20 5 FFBDRO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000160917794 509048039 /nfs/dbraw/zinc/04/80/39/509048039.db2.gz QLNWFIMHQPAZSC-MQVJKMGUSA-N 1 0 373.453 2.885 20 5 FFBDRO CC(C)C[C@](C)(C[NH3+])NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000155877927 509086513 /nfs/dbraw/zinc/08/65/13/509086513.db2.gz WJFHIYPYBGSJJW-CQSZACIVSA-N 1 0 358.236 2.851 20 5 FFBDRO CC(C)(C)[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1nc(-c2nc[nH]n2)no1 ZINC000121007262 509108169 /nfs/dbraw/zinc/10/81/69/509108169.db2.gz HFIHBYINJGJBDD-CYBMUJFWSA-N 1 0 371.401 2.682 20 5 FFBDRO CC[N@H+](CCNC(=O)c1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC000121100302 509127856 /nfs/dbraw/zinc/12/78/56/509127856.db2.gz YNNUAJVMQMYHGI-UHFFFAOYSA-N 1 0 356.220 2.571 20 5 FFBDRO CCCc1n[nH]c(C(=O)NC[C@H]([NH3+])c2ccc(C(C)C)cc2)c1[N+](=O)[O-] ZINC000151993072 509125845 /nfs/dbraw/zinc/12/58/45/509125845.db2.gz CVDLQWZRUVPMJD-AWEZNQCLSA-N 1 0 359.430 2.824 20 5 FFBDRO Cc1ccc(NCCCNC(=O)[C@H]2Cc3ccccc3C[NH2+]2)c([N+](=O)[O-])c1 ZINC000161542151 509126901 /nfs/dbraw/zinc/12/69/01/509126901.db2.gz HHMVHQSNVJCIHK-GOSISDBHSA-N 1 0 368.437 2.536 20 5 FFBDRO [NH3+]C[C@H]1CCCN1c1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000156225539 509146825 /nfs/dbraw/zinc/14/68/25/509146825.db2.gz YFWKWOWVDAYHMG-SNVBAGLBSA-N 1 0 351.204 2.833 20 5 FFBDRO O=C([C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000161974687 509167394 /nfs/dbraw/zinc/16/73/94/509167394.db2.gz LPQIRGBJAVLFQC-JVPBZIDWSA-N 1 0 373.453 2.885 20 5 FFBDRO [NH3+][C@@H](Cc1ccccc1)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000161975791 509167398 /nfs/dbraw/zinc/16/73/98/509167398.db2.gz FSIZLBPYDRPRQA-IBGZPJMESA-N 1 0 369.421 2.535 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(CC[NH+](C)C)C2CCCC2)c1C ZINC000121563118 509178595 /nfs/dbraw/zinc/17/85/95/509178595.db2.gz PPTMTILCDZNRKZ-UHFFFAOYSA-N 1 0 369.487 2.707 20 5 FFBDRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000266776898 509188988 /nfs/dbraw/zinc/18/89/88/509188988.db2.gz BVUGZZUIESZVRM-CHWSQXEVSA-N 1 0 363.439 2.915 20 5 FFBDRO Cc1ccc(C(=O)NCC2([NH+]3CCCCC3)CCN(C)CC2)cc1[N+](=O)[O-] ZINC000172749534 509210828 /nfs/dbraw/zinc/21/08/28/509210828.db2.gz MFXHJSZCUXIRCE-UHFFFAOYSA-N 1 0 374.485 2.583 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCNS(=O)(=O)c1ccccc1 ZINC000162477410 509232632 /nfs/dbraw/zinc/23/26/32/509232632.db2.gz BBRHGZMFIWKSAH-CQSZACIVSA-N 1 0 363.439 2.532 20 5 FFBDRO C[C@@H](Nc1ccc(C(=O)N(C)[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000179050703 509241345 /nfs/dbraw/zinc/24/13/45/509241345.db2.gz KXBLPUMILIWVQF-UKRRQHHQSA-N 1 0 369.425 2.597 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CCc1c[nH]c2ccccc12 ZINC000213841620 509241641 /nfs/dbraw/zinc/24/16/41/509241641.db2.gz GSHUXYLZKZQTJT-OAHLLOKOSA-N 1 0 355.394 2.648 20 5 FFBDRO CCO[C@@H]1C[C@H]([N@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000248279766 509267944 /nfs/dbraw/zinc/26/79/44/509267944.db2.gz URQFUOCXNHXYGA-BPQIPLTHSA-N 1 0 364.442 2.614 20 5 FFBDRO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000185634265 509276504 /nfs/dbraw/zinc/27/65/04/509276504.db2.gz ZMYMWMMYOJCDLV-SECBINFHSA-N 1 0 360.340 2.518 20 5 FFBDRO COc1cc(C[NH2+]C2CCC(O)(c3cccnc3)CC2)c([N+](=O)[O-])cc1O ZINC000185704246 509313460 /nfs/dbraw/zinc/31/34/60/509313460.db2.gz SFZGRZLLDJRMRS-UHFFFAOYSA-N 1 0 373.409 2.624 20 5 FFBDRO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248463597 509333432 /nfs/dbraw/zinc/33/34/32/509333432.db2.gz QRMLLJIYZBAMSG-GDBMZVCRSA-N 1 0 360.414 2.512 20 5 FFBDRO C[N@@H+]1CCC[C@@H](CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000182657057 509354044 /nfs/dbraw/zinc/35/40/44/509354044.db2.gz OCWWPFLZWSOYFX-NSHDSACASA-N 1 0 357.863 2.798 20 5 FFBDRO Cc1cc(CN2CCN(Cc3c(Cl)cccc3[N+](=O)[O-])CC2)on1 ZINC000163263241 509357175 /nfs/dbraw/zinc/35/71/75/509357175.db2.gz IWUMVKREQTVPNA-UHFFFAOYSA-N 1 0 350.806 2.862 20 5 FFBDRO COCC[N@H+](C)CCCC1CCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000179324410 509377092 /nfs/dbraw/zinc/37/70/92/509377092.db2.gz PPNUMLKENNHZSK-UHFFFAOYSA-N 1 0 369.487 2.867 20 5 FFBDRO CN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)[C@H]1CCC[NH2+]CC1 ZINC000226455787 509398557 /nfs/dbraw/zinc/39/85/57/509398557.db2.gz DDDJCYBTSFRMOB-LBPRGKRZSA-N 1 0 356.220 2.571 20 5 FFBDRO Cc1ccc(CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C[C@H]2CCCO2)cc1 ZINC000176271210 509413289 /nfs/dbraw/zinc/41/32/89/509413289.db2.gz WTMXWEBSEFZNSW-GOSISDBHSA-N 1 0 358.442 2.823 20 5 FFBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)n1 ZINC000248656745 509422400 /nfs/dbraw/zinc/42/24/00/509422400.db2.gz DWSGROIMUOAKEV-HUUCEWRRSA-N 1 0 363.462 2.538 20 5 FFBDRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)C[C@H]12 ZINC000248665940 509426405 /nfs/dbraw/zinc/42/64/05/509426405.db2.gz WJUIVRHRNYOMAC-FPMFFAJLSA-N 1 0 358.423 2.528 20 5 FFBDRO CN(C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCC[N@H+](C)C1 ZINC000182870532 509468231 /nfs/dbraw/zinc/46/82/31/509468231.db2.gz LXMBCYISDPMVJI-LBPRGKRZSA-N 1 0 357.863 2.893 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N[C@@H]3CCC[C@H]3C[NH3+])cc2[N+](=O)[O-])CC1 ZINC000236671149 509476260 /nfs/dbraw/zinc/47/62/60/509476260.db2.gz ZFWXOSJLTGVELO-JKSUJKDBSA-N 1 0 360.458 2.688 20 5 FFBDRO O=C(C[NH2+][C@@H]1CCCc2c(O)cccc21)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000192363539 509484104 /nfs/dbraw/zinc/48/41/04/509484104.db2.gz ATIUSEGOCZXUAJ-QGZVFWFLSA-N 1 0 367.405 2.857 20 5 FFBDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000236775261 509501120 /nfs/dbraw/zinc/50/11/20/509501120.db2.gz XEFRVMOJUHTLIC-ZDUSSCGKSA-N 1 0 358.236 2.803 20 5 FFBDRO C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1c2ccccc2-c2ccccc21 ZINC000176434614 509508516 /nfs/dbraw/zinc/50/85/16/509508516.db2.gz SMVFLHOWCSLRMI-OAHLLOKOSA-N 1 0 364.405 2.854 20 5 FFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000248901868 509535313 /nfs/dbraw/zinc/53/53/13/509535313.db2.gz UNMXMMYRDXQWRK-DNVCBOLYSA-N 1 0 368.437 2.915 20 5 FFBDRO CC[NH2+]CC1CCN(C(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000237018496 509553790 /nfs/dbraw/zinc/55/37/90/509553790.db2.gz YQVQRVWSPPQWBF-GFCCVEGCSA-N 1 0 369.849 2.864 20 5 FFBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000176537843 509569869 /nfs/dbraw/zinc/56/98/69/509569869.db2.gz YJTOIXMYEWCVPD-NEPJUHHUSA-N 1 0 370.247 2.960 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N(C)CC[C@@H]([NH3+])C(C)C)cc1SC ZINC000237190002 509590074 /nfs/dbraw/zinc/59/00/74/509590074.db2.gz JBEHUVGVCLCAAP-GFCCVEGCSA-N 1 0 355.460 2.771 20 5 FFBDRO Cc1ccc(S(=O)(=O)N2CCC(CCC[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000166298995 509601092 /nfs/dbraw/zinc/60/10/92/509601092.db2.gz RJPNPKCQKQXCOF-UHFFFAOYSA-N 1 0 369.487 2.646 20 5 FFBDRO CN(C(=O)c1cccc([N+](=O)[O-])c1N)C1CC[NH+](Cc2ccccc2)CC1 ZINC000176684290 509639348 /nfs/dbraw/zinc/63/93/48/509639348.db2.gz WCQDDLRHKHKEPV-UHFFFAOYSA-N 1 0 368.437 2.914 20 5 FFBDRO CC(C)C[C@@H]1OCCC[C@H]1[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000186317586 509643822 /nfs/dbraw/zinc/64/38/22/509643822.db2.gz GSOOLZTUMNWFBF-DAYGRLMNSA-N 1 0 352.431 2.518 20 5 FFBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 ZINC000267897129 509661441 /nfs/dbraw/zinc/66/14/41/509661441.db2.gz ACVNLRBLBOMODV-SNVBAGLBSA-N 1 0 374.210 2.663 20 5 FFBDRO CN(CC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000173651488 509700358 /nfs/dbraw/zinc/70/03/58/509700358.db2.gz OZOLUMJAGOIVIC-MRXNPFEDSA-N 1 0 360.458 2.508 20 5 FFBDRO COc1ccc(OCC[N@H+](C[C@H](C)O)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000173667875 509709457 /nfs/dbraw/zinc/70/94/57/509709457.db2.gz DUKXOQFWXZVUCJ-AWEZNQCLSA-N 1 0 352.431 2.998 20 5 FFBDRO CNC(=O)c1ccc(NC[C@H]2CC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000192958421 509714700 /nfs/dbraw/zinc/71/47/00/509714700.db2.gz ABOFEYSWFLETRX-MRXNPFEDSA-N 1 0 368.437 2.888 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000237707227 509715660 /nfs/dbraw/zinc/71/56/60/509715660.db2.gz ROZHGLSVHYUDEP-MJVIPROJSA-N 1 0 355.822 2.601 20 5 FFBDRO Cc1ccc(C[NH2+][C@@H]2CC(=O)N(CCOc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000237806866 509739450 /nfs/dbraw/zinc/73/94/50/509739450.db2.gz SQRGYBHKTFJFJE-QGZVFWFLSA-N 1 0 369.421 2.673 20 5 FFBDRO O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCC[NH+]1CCCC1 ZINC000183373184 509745946 /nfs/dbraw/zinc/74/59/46/509745946.db2.gz NXVMYBAHDGWOBE-UHFFFAOYSA-N 1 0 374.363 2.628 20 5 FFBDRO C[N@@H+]1CC[C@H](NC(=O)COc2ccccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000180139795 509773317 /nfs/dbraw/zinc/77/33/17/509773317.db2.gz AXLFVZDXEIDHHF-KXBFYZLASA-N 1 0 355.394 2.535 20 5 FFBDRO C[NH+]1CCC(N(Cc2ccco2)C(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000264939415 509786107 /nfs/dbraw/zinc/78/61/07/509786107.db2.gz VLGHCLBRSZHRSG-UHFFFAOYSA-N 1 0 372.425 2.723 20 5 FFBDRO O=[N+]([O-])c1ccccc1-c1ccc(CNC[C@@H](O)C[NH+]2CCCC2)s1 ZINC000237967640 509788079 /nfs/dbraw/zinc/78/80/79/509788079.db2.gz JBEQKLSDHNTODA-CQSZACIVSA-N 1 0 361.467 2.870 20 5 FFBDRO COc1cc(C[N@H+](C)CC2(O)CCCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000180172670 509793521 /nfs/dbraw/zinc/79/35/21/509793521.db2.gz SSSXBVUIIVJRIM-UHFFFAOYSA-N 1 0 374.384 2.984 20 5 FFBDRO CCC1(CC)[C@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1OC ZINC000186608802 509800371 /nfs/dbraw/zinc/80/03/71/509800371.db2.gz SZNVJRYFVMMFTN-HZPDHXFCSA-N 1 0 370.471 2.552 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000186610744 509801870 /nfs/dbraw/zinc/80/18/70/509801870.db2.gz YBGRGLGJRNZKCC-KRWDZBQOSA-N 1 0 354.410 2.774 20 5 FFBDRO CCOC(=O)C[C@@](C)([NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C)C(C)C ZINC000186667510 509839046 /nfs/dbraw/zinc/83/90/46/509839046.db2.gz DQHQCPQJRDTNIL-GOSISDBHSA-N 1 0 365.430 2.799 20 5 FFBDRO COc1cc(C[N@H+](CC(C)(C)O)C2CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000189991844 509870863 /nfs/dbraw/zinc/87/08/63/509870863.db2.gz KLCSPNNXSVKERX-UHFFFAOYSA-N 1 0 360.357 2.940 20 5 FFBDRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183630261 509895821 /nfs/dbraw/zinc/89/58/21/509895821.db2.gz IWGOEKGLUAGFKN-UHFFFAOYSA-N 1 0 361.377 2.725 20 5 FFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N(CC[NH+](C)C)Cc1ccccc1F ZINC000171025423 509896020 /nfs/dbraw/zinc/89/60/20/509896020.db2.gz XCZLEKKSYFWQFR-UHFFFAOYSA-N 1 0 360.389 2.641 20 5 FFBDRO C[C@H]([NH2+]CCCN1C(=O)c2ccccc2C1=O)c1cccc([N+](=O)[O-])c1 ZINC000180393975 509901129 /nfs/dbraw/zinc/90/11/29/509901129.db2.gz NAFXBWNLZVXJLT-ZDUSSCGKSA-N 1 0 353.378 2.932 20 5 FFBDRO CC(C)[NH+]1CCC(N(C)C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000265248037 509945698 /nfs/dbraw/zinc/94/56/98/509945698.db2.gz AHJBXSGEOZWLBZ-UHFFFAOYSA-N 1 0 372.425 2.793 20 5 FFBDRO CC[NH+](CC)[C@H]1CCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000174173091 509983421 /nfs/dbraw/zinc/98/34/21/509983421.db2.gz UHRVBPYVFGAIOT-KRWDZBQOSA-N 1 0 374.485 2.754 20 5 FFBDRO C[C@H]1C[C@@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2Br)CC[N@@H+]1C ZINC000180571851 509992218 /nfs/dbraw/zinc/99/22/18/509992218.db2.gz IIQOVIONKJONOW-QWRGUYRKSA-N 1 0 370.247 2.912 20 5 FFBDRO CCc1ccc([C@@H](CNC(=O)c2c(N)cccc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000180605735 510010119 /nfs/dbraw/zinc/01/01/19/510010119.db2.gz SNVJZBKEBUMONF-QGZVFWFLSA-N 1 0 356.426 2.772 20 5 FFBDRO C[C@H](CCS(C)(=O)=O)[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000245564272 510011536 /nfs/dbraw/zinc/01/15/36/510011536.db2.gz WFGBUONULGQRSY-IJEWVQPXSA-N 1 0 354.472 2.719 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000193723361 510036374 /nfs/dbraw/zinc/03/63/74/510036374.db2.gz QVWFQQUIBIJMAR-ZIAGYGMSSA-N 1 0 364.446 2.523 20 5 FFBDRO C[NH2+][C@@H](C)CNC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000261723788 510041499 /nfs/dbraw/zinc/04/14/99/510041499.db2.gz KZCZVUPJHVLHIT-QWHCGFSZSA-N 1 0 357.414 2.501 20 5 FFBDRO C[N@@H+]1CC[C@@H](NC(=O)NCc2ccccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000245624633 510044694 /nfs/dbraw/zinc/04/46/94/510044694.db2.gz GEVKTJXBAXACDR-SJLPKXTDSA-N 1 0 354.410 2.839 20 5 FFBDRO CCc1ccc([C@@H]2C[NH2+]CCN2C(=O)c2cccc([N+](=O)[O-])c2N)cc1 ZINC000261799270 510067549 /nfs/dbraw/zinc/06/75/49/510067549.db2.gz QSXAKMQCHILYMT-KRWDZBQOSA-N 1 0 354.410 2.526 20 5 FFBDRO O=C(c1ccccc1[N+](=O)[O-])N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000180742635 510084500 /nfs/dbraw/zinc/08/45/00/510084500.db2.gz AGONOBOMFSKMFD-UHFFFAOYSA-N 1 0 361.442 2.559 20 5 FFBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000177548772 510127754 /nfs/dbraw/zinc/12/77/54/510127754.db2.gz CCDDABQUFXZYIE-SJORKVTESA-N 1 0 374.485 2.800 20 5 FFBDRO CC[C@H]([NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccs1 ZINC000180939849 510195296 /nfs/dbraw/zinc/19/52/96/510195296.db2.gz CLZSWVBAEVOCHF-LBPRGKRZSA-N 1 0 369.468 2.676 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000171624084 510259730 /nfs/dbraw/zinc/25/97/30/510259730.db2.gz IUFXJQMITGXZMN-CYBMUJFWSA-N 1 0 357.414 2.521 20 5 FFBDRO COc1cc(C(=O)Nc2ccc(CC[NH+](C)C)cc2)cc([N+](=O)[O-])c1OC ZINC000265905645 510292789 /nfs/dbraw/zinc/29/27/89/510292789.db2.gz ROTZDHAEAVPGHS-UHFFFAOYSA-N 1 0 373.409 2.968 20 5 FFBDRO C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000269240497 510303889 /nfs/dbraw/zinc/30/38/89/510303889.db2.gz XOEOBLMYGJHWKX-HUUCEWRRSA-N 1 0 360.458 2.703 20 5 FFBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CC[C@@H]([NH3+])[C@@H](C)C3)cc2[N+](=O)[O-])C1 ZINC000269259151 510312896 /nfs/dbraw/zinc/31/28/96/510312896.db2.gz IQHBUIWNQZCTRZ-QSJFSLAZSA-N 1 0 374.485 2.886 20 5 FFBDRO C[C@H](Nc1ccc(C(=O)NC(C)(C)C[NH3+])cc1[N+](=O)[O-])c1ccccn1 ZINC000262556325 510316972 /nfs/dbraw/zinc/31/69/72/510316972.db2.gz YOGCOYMQDMYJKB-LBPRGKRZSA-N 1 0 357.414 2.630 20 5 FFBDRO O=C(CN1CCC[C@H]1C[NH+]1CCCC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000171707369 510321802 /nfs/dbraw/zinc/32/18/02/510321802.db2.gz IDHRKFRFTIYZPX-AWEZNQCLSA-N 1 0 366.849 2.747 20 5 FFBDRO CC1CCN(c2ccc(C(=O)NCC[C@H]3CC[NH2+]C3)cc2[N+](=O)[O-])CC1 ZINC000262579268 510323047 /nfs/dbraw/zinc/32/30/47/510323047.db2.gz MUQIWBTWTYQAQO-OAHLLOKOSA-N 1 0 360.458 2.561 20 5 FFBDRO O=C(NCC[C@@H]1CC[NH2+]C1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000262576898 510323087 /nfs/dbraw/zinc/32/30/87/510323087.db2.gz KEUFDIIPBMWUAU-INIZCTEOSA-N 1 0 368.437 2.936 20 5 FFBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCC[C@H]3C[NH3+])cc2[N+](=O)[O-])C1 ZINC000262636800 510345729 /nfs/dbraw/zinc/34/57/29/510345729.db2.gz OVXCTDRRGQIKMQ-FMKPAKJESA-N 1 0 360.458 2.640 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000266009077 510356146 /nfs/dbraw/zinc/35/61/46/510356146.db2.gz RZTUZWHSDQDPKR-XHDPSFHLSA-N 1 0 364.402 2.614 20 5 FFBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1nc(C(C)(C)C)cs1 ZINC000184508939 510364098 /nfs/dbraw/zinc/36/40/98/510364098.db2.gz SOFMSOQHTYOOPR-LLVKDONJSA-N 1 0 350.444 2.861 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCC(CC[NH+](C)C)CC2)c1C ZINC000181387477 510385141 /nfs/dbraw/zinc/38/51/41/510385141.db2.gz XGHNIQPAPBQFIP-UHFFFAOYSA-N 1 0 369.487 2.564 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)cn2)c1 ZINC000269418767 510398044 /nfs/dbraw/zinc/39/80/44/510398044.db2.gz JTSKKROQNZTNNY-HNNXBMFYSA-N 1 0 369.425 2.691 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)CCc1ccncc1 ZINC000181446626 510412580 /nfs/dbraw/zinc/41/25/80/510412580.db2.gz IOGKKZAQLPCYCQ-UHFFFAOYSA-N 1 0 358.398 2.502 20 5 FFBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000184620850 510421805 /nfs/dbraw/zinc/42/18/05/510421805.db2.gz LQRPUEUYLDOCMF-CQSZACIVSA-N 1 0 354.838 2.922 20 5 FFBDRO CCc1n[nH]c(C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](CC)C2)c1[N+](=O)[O-] ZINC000171873166 510423562 /nfs/dbraw/zinc/42/35/62/510423562.db2.gz PPZJULSRLGODQD-LBPRGKRZSA-N 1 0 351.451 2.511 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)CCc1ccncc1 ZINC000181494472 510437930 /nfs/dbraw/zinc/43/79/30/510437930.db2.gz QEGMWUSLVLZBQZ-UHFFFAOYSA-N 1 0 358.398 2.502 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CC[C@H](C[NH+]3CCOCC3)C2)c(Br)c1 ZINC000266284558 510498473 /nfs/dbraw/zinc/49/84/73/510498473.db2.gz VEDFCHGKHDOPSS-GFCCVEGCSA-N 1 0 370.247 2.516 20 5 FFBDRO CCCCCC(=O)NC1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000269651708 510499500 /nfs/dbraw/zinc/49/95/00/510499500.db2.gz MNUWNWPTFKXXCK-SFHVURJKSA-N 1 0 363.458 2.789 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000181637546 510514921 /nfs/dbraw/zinc/51/49/21/510514921.db2.gz KMYNKVWDHHODII-ZIAGYGMSSA-N 1 0 361.442 2.986 20 5 FFBDRO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)C2 ZINC000175202498 510528855 /nfs/dbraw/zinc/52/88/55/510528855.db2.gz QYWPXYXPGNQJMG-FUHWJXTLSA-N 1 0 360.458 2.796 20 5 FFBDRO O=C(CC[N@@H+](CCO)Cc1ccccc1)Nc1cc([N+](=O)[O-])ccc1F ZINC000181681067 510536944 /nfs/dbraw/zinc/53/69/44/510536944.db2.gz KAKMEYXNBYTKEW-UHFFFAOYSA-N 1 0 361.373 2.557 20 5 FFBDRO COCC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)Cc1cccnc1 ZINC000191235306 510560360 /nfs/dbraw/zinc/56/03/60/510560360.db2.gz SJCGAQQJCHFMOM-UHFFFAOYSA-N 1 0 372.425 2.775 20 5 FFBDRO COc1ccc(C[N@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1C ZINC000181746129 510571621 /nfs/dbraw/zinc/57/16/21/510571621.db2.gz JXVVNJZWVUODJO-MRXNPFEDSA-N 1 0 360.410 2.784 20 5 FFBDRO C[NH+](C)CCN(C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)C1CCCCC1 ZINC000181781562 510588521 /nfs/dbraw/zinc/58/85/21/510588521.db2.gz QHOHKJXSGQWLBQ-UHFFFAOYSA-N 1 0 363.414 2.660 20 5 FFBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] ZINC000181839473 510620560 /nfs/dbraw/zinc/62/05/60/510620560.db2.gz LFNBRPBNFUFCAK-CYBMUJFWSA-N 1 0 371.393 2.964 20 5 FFBDRO CCS[C@@H]1CCCC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000181871787 510634480 /nfs/dbraw/zinc/63/44/80/510634480.db2.gz ILYHZCRRLAXEQV-LSDHHAIUSA-N 1 0 354.472 2.942 20 5 FFBDRO CN(Cc1c(F)cccc1[N+](=O)[O-])C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188277587 510685572 /nfs/dbraw/zinc/68/55/72/510685572.db2.gz BMGVGYLKQCISIC-HXUWFJFHSA-N 1 0 373.428 2.803 20 5 FFBDRO C[NH+]1CCC([C@@H]2CCN(c3ccc(C(=O)NC4CC4)cc3[N+](=O)[O-])C2)CC1 ZINC000270168638 510700508 /nfs/dbraw/zinc/70/05/08/510700508.db2.gz KSZARIDKZSDBJM-MRXNPFEDSA-N 1 0 372.469 2.655 20 5 FFBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)cc1[N+](=O)[O-] ZINC000178682567 510719863 /nfs/dbraw/zinc/71/98/63/510719863.db2.gz ZJIPRLWSEVJJOM-QWHCGFSZSA-N 1 0 370.409 2.680 20 5 FFBDRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000246880017 510724799 /nfs/dbraw/zinc/72/47/99/510724799.db2.gz FVOMDHJWBZCQQZ-CVEARBPZSA-N 1 0 358.442 2.868 20 5 FFBDRO C[NH+]1CCC([C@H]2CCN(C(=O)CCNc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000270278110 510745730 /nfs/dbraw/zinc/74/57/30/510745730.db2.gz UWFGMKKYUOQFHZ-INIZCTEOSA-N 1 0 360.458 2.587 20 5 FFBDRO CC(C)(C)OC(=O)NC[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000185232452 510760768 /nfs/dbraw/zinc/76/07/68/510760768.db2.gz FQVMSKJOSXMPTE-HOTGVXAUSA-N 1 0 365.430 2.521 20 5 FFBDRO C[C@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CC[N@@H+]1C ZINC000182146753 510780560 /nfs/dbraw/zinc/78/05/60/510780560.db2.gz VMXLGUQQEITABK-QWRGUYRKSA-N 1 0 357.357 2.751 20 5 FFBDRO COc1ccc(C[NH2+][C@@H]2CCN(Cc3ccc(F)cc3)C2=O)cc1[N+](=O)[O-] ZINC000191774966 510824789 /nfs/dbraw/zinc/82/47/89/510824789.db2.gz PQZZMGXEURILHA-MRXNPFEDSA-N 1 0 373.384 2.633 20 5 FFBDRO CC1CC[NH+]([C@@H](CNC(=O)c2nn(C)cc2[N+](=O)[O-])c2ccccc2)CC1 ZINC000270737383 510967716 /nfs/dbraw/zinc/96/77/16/510967716.db2.gz FBJYDQCOMLOAAV-INIZCTEOSA-N 1 0 371.441 2.531 20 5 FFBDRO Cc1cc(C(=O)N2CCC(N3CC[NH+](C(C)C)CC3)CC2)ccc1[N+](=O)[O-] ZINC000270883630 511015583 /nfs/dbraw/zinc/01/55/83/511015583.db2.gz KKBPUFKKBBBMAQ-UHFFFAOYSA-N 1 0 374.485 2.534 20 5 FFBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000279313145 511041752 /nfs/dbraw/zinc/04/17/52/511041752.db2.gz OPCMKOMCYNLNJT-XPTSAGLGSA-N 1 0 355.797 2.529 20 5 FFBDRO CCC(CC)(CNC(=O)c1nn(C)cc1[N+](=O)[O-])[NH2+][C@H](C)c1ccccc1 ZINC000271326383 511164415 /nfs/dbraw/zinc/16/44/15/511164415.db2.gz ABWPPIUTDODHLF-CQSZACIVSA-N 1 0 373.457 2.968 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])s1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000279704918 511183357 /nfs/dbraw/zinc/18/33/57/511183357.db2.gz PGEVDWFXRQXGDY-GASCZTMLSA-N 1 0 357.435 2.860 20 5 FFBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000294836998 511194758 /nfs/dbraw/zinc/19/47/58/511194758.db2.gz AZMHLXFMAQOKKI-CQSZACIVSA-N 1 0 373.457 2.590 20 5 FFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)CS(=O)(=O)CC ZINC000271416935 511196847 /nfs/dbraw/zinc/19/68/47/511196847.db2.gz AZBPPPQOLBFYBB-QWHCGFSZSA-N 1 0 360.501 2.878 20 5 FFBDRO CC1CC[NH+](CCc2cccc(NC(=O)Cn3cc([N+](=O)[O-])cn3)c2)CC1 ZINC000271471382 511215219 /nfs/dbraw/zinc/21/52/19/511215219.db2.gz UTPQQYRWSUORJD-UHFFFAOYSA-N 1 0 371.441 2.704 20 5 FFBDRO COC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000298295545 511237394 /nfs/dbraw/zinc/23/73/94/511237394.db2.gz PIQAMXQQHCYDBV-AEFFLSMTSA-N 1 0 362.426 2.693 20 5 FFBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000295005707 511250046 /nfs/dbraw/zinc/25/00/46/511250046.db2.gz CHSMFQCSWYMNAH-GFCCVEGCSA-N 1 0 357.838 2.643 20 5 FFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000279902659 511260723 /nfs/dbraw/zinc/26/07/23/511260723.db2.gz DPCOWYFQDZHIGA-HNNXBMFYSA-N 1 0 361.442 2.797 20 5 FFBDRO C[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000295207057 511320696 /nfs/dbraw/zinc/32/06/96/511320696.db2.gz ZMSYIVOHLIMQRJ-LBPRGKRZSA-N 1 0 373.837 2.566 20 5 FFBDRO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@H]2[C@@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000298667491 511368732 /nfs/dbraw/zinc/36/87/32/511368732.db2.gz YHBKQLQPQKGCEC-RDJZCZTQSA-N 1 0 363.414 2.575 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000363135516 511375210 /nfs/dbraw/zinc/37/52/10/511375210.db2.gz VTAFPKCPRBAHJN-HNNXBMFYSA-N 1 0 371.441 2.530 20 5 FFBDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000283511152 511395324 /nfs/dbraw/zinc/39/53/24/511395324.db2.gz PTWIGPQMXZFAEK-GFCCVEGCSA-N 1 0 352.410 2.701 20 5 FFBDRO COc1cc(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)c([N+](=O)[O-])cc1F ZINC000295417381 511398079 /nfs/dbraw/zinc/39/80/79/511398079.db2.gz DSEFHSLKLZPAKZ-QAPCUYQASA-N 1 0 373.384 2.918 20 5 FFBDRO Cc1c(NC(=O)CC[N@@H+]2CCOC[C@H](C3CCC3)C2)cccc1[N+](=O)[O-] ZINC000292086662 511459127 /nfs/dbraw/zinc/45/91/27/511459127.db2.gz GIKQVNJZHRFDEC-MRXNPFEDSA-N 1 0 361.442 2.980 20 5 FFBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@H](c3nnc(C4CCCCC4)[nH]3)C2)n1 ZINC000272243973 511476722 /nfs/dbraw/zinc/47/67/22/511476722.db2.gz NZEIRLMSQXOOJH-OAHLLOKOSA-N 1 0 373.461 2.837 20 5 FFBDRO Nc1ccc(NCc2ccccc2C[NH+]2CCC(O)CC2)c([N+](=O)[O-])c1 ZINC000283884043 511533272 /nfs/dbraw/zinc/53/32/72/511533272.db2.gz VISVPFLHVLJDMR-UHFFFAOYSA-N 1 0 356.426 2.746 20 5 FFBDRO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])cc1 ZINC000273613357 511552080 /nfs/dbraw/zinc/55/20/80/511552080.db2.gz WSLQRXLGPFIPSZ-OAHLLOKOSA-N 1 0 362.451 2.898 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)c1 ZINC000299219161 511556334 /nfs/dbraw/zinc/55/63/34/511556334.db2.gz LXWBDGOIZBTADJ-QGZVFWFLSA-N 1 0 361.373 2.775 20 5 FFBDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)c3cc(-c4ccc([N+](=O)[O-])cc4)n[nH]3)C2)C1 ZINC000296005603 511585973 /nfs/dbraw/zinc/58/59/73/511585973.db2.gz VXWIJLZTJWJEJA-IBGZPJMESA-N 1 0 369.425 2.543 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)Cn1cnc2c1C[C@H](C)[C@H](C)C2 ZINC000296049959 511602842 /nfs/dbraw/zinc/60/28/42/511602842.db2.gz UBMOCWSCONHSMU-NEPJUHHUSA-N 1 0 358.398 2.809 20 5 FFBDRO CN1CC[C@H]([NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000284360810 511696511 /nfs/dbraw/zinc/69/65/11/511696511.db2.gz SVBKZABFYABFFC-QFBILLFUSA-N 1 0 354.410 2.568 20 5 FFBDRO C[NH+](C)Cc1ccccc1C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000365977068 511761087 /nfs/dbraw/zinc/76/10/87/511761087.db2.gz MELLTDBEQYXOMA-UHFFFAOYSA-N 1 0 355.394 2.560 20 5 FFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC1(S(C)(=O)=O)CC1 ZINC000281222494 511763679 /nfs/dbraw/zinc/76/36/79/511763679.db2.gz UBZNQZBHKYTTDD-LBPRGKRZSA-N 1 0 358.485 2.632 20 5 FFBDRO COc1cccc(-c2nc([C@@H]3C[N@@H+]4CCC[C@]4(C)CO3)no2)c1[N+](=O)[O-] ZINC000350346477 511785636 /nfs/dbraw/zinc/78/56/36/511785636.db2.gz ARINAHLAGUCPHW-SUMWQHHRSA-N 1 0 360.370 2.579 20 5 FFBDRO COC[C@@H]1CCCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000363829657 511793474 /nfs/dbraw/zinc/79/34/74/511793474.db2.gz WRYMKIACDNJEHK-UONOGXRCSA-N 1 0 365.430 2.679 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC([NH+]2CC=CC2)CC1 ZINC000281295336 511794515 /nfs/dbraw/zinc/79/45/15/511794515.db2.gz CUFOYYNNAGLWFY-UHFFFAOYSA-N 1 0 360.414 2.862 20 5 FFBDRO Cc1c(Cl)cc(S(=O)(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)cc1[N+](=O)[O-] ZINC000324855838 511840762 /nfs/dbraw/zinc/84/07/62/511840762.db2.gz LKTIMKSDKJNEEP-NSHDSACASA-N 1 0 373.862 2.510 20 5 FFBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000363937945 511862223 /nfs/dbraw/zinc/86/22/23/511862223.db2.gz MBFDZUJDXOUODW-JKSUJKDBSA-N 1 0 372.469 2.942 20 5 FFBDRO CCOc1ccc([C@@H](C)[NH2+]CCCOCCOCCOC)cc1[N+](=O)[O-] ZINC000274537419 511867671 /nfs/dbraw/zinc/86/76/71/511867671.db2.gz BKHRQIOSESGAHR-OAHLLOKOSA-N 1 0 370.446 2.714 20 5 FFBDRO CN1CCO[C@H]2CC[N@H+](Cc3cc(=O)oc4ccc5ccccc5c34)C[C@@H]21 ZINC000284797599 511873896 /nfs/dbraw/zinc/87/38/96/511873896.db2.gz OITJSTREGISUNN-OALUTQOASA-N 1 0 364.445 2.851 20 5 FFBDRO CCCc1n[nH]c(C(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000274615575 511889385 /nfs/dbraw/zinc/88/93/85/511889385.db2.gz YHCDFFIQYUFSTD-WBMJQRKESA-N 1 0 359.430 2.692 20 5 FFBDRO Cc1c(NC(=O)[C@@H](C)N2CC[N@@H+](C3CC3)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000296801137 511903485 /nfs/dbraw/zinc/90/34/85/511903485.db2.gz UECRVMFMPWIILU-UKRRQHHQSA-N 1 0 360.458 2.646 20 5 FFBDRO COc1ccc(CN(C)C(=O)C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000296871885 511931938 /nfs/dbraw/zinc/93/19/38/511931938.db2.gz ZUAWAIBAGLPRKU-AWEZNQCLSA-N 1 0 357.410 2.913 20 5 FFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000293525669 511997792 /nfs/dbraw/zinc/99/77/92/511997792.db2.gz WKOLZZZJTVAOJU-GRYCIOLGSA-N 1 0 354.838 2.600 20 5 FFBDRO O=C(NC1CC([NH+]2CCCCC2)C1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000366552339 512084097 /nfs/dbraw/zinc/08/40/97/512084097.db2.gz PPENQVWWBWBUBY-UHFFFAOYSA-N 1 0 372.469 2.942 20 5 FFBDRO Cn1nccc1[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000375766284 512495135 /nfs/dbraw/zinc/49/51/35/512495135.db2.gz ULOQGYJFJFKHSK-CYBMUJFWSA-N 1 0 358.398 2.574 20 5 FFBDRO COc1cc(C[NH+]2CCC([C@H]3CCOC3)CC2)c([N+](=O)[O-])cc1OC ZINC000371804390 512581047 /nfs/dbraw/zinc/58/10/47/512581047.db2.gz XBFIZCJGQJYVDO-AWEZNQCLSA-N 1 0 350.415 2.861 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c1 ZINC000373942515 512584080 /nfs/dbraw/zinc/58/40/80/512584080.db2.gz HBGFQVZRSKPCQY-HOTGVXAUSA-N 1 0 361.442 2.615 20 5 FFBDRO C[NH+]1CCC2(CCCN(C(=O)CCNc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000374058571 512643953 /nfs/dbraw/zinc/64/39/53/512643953.db2.gz UFJMWFSERZTBIB-UHFFFAOYSA-N 1 0 360.458 2.731 20 5 FFBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCN(c3ccccc3C(N)=O)C2)cccc1[N+](=O)[O-] ZINC000376193886 512703710 /nfs/dbraw/zinc/70/37/10/512703710.db2.gz GMGZWZRCGCRMGK-LSDHHAIUSA-N 1 0 368.437 2.932 20 5 FFBDRO CCCC[NH+]1CCC(NC(=O)Cc2c(F)c(OC)ccc2[N+](=O)[O-])CC1 ZINC000411664266 512744951 /nfs/dbraw/zinc/74/49/51/512744951.db2.gz CAJKDMYLUKKPKK-UHFFFAOYSA-N 1 0 367.421 2.666 20 5 FFBDRO NC(=O)c1ccc(C[N@@H+]2CCC[C@]3(C2)OCc2ccccc23)c([N+](=O)[O-])c1 ZINC000372272178 512791140 /nfs/dbraw/zinc/79/11/40/512791140.db2.gz GDLQHJOTEKFODF-HXUWFJFHSA-N 1 0 367.405 2.715 20 5 FFBDRO COc1cc(CN2CCCOCC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000376504269 512846746 /nfs/dbraw/zinc/84/67/46/512846746.db2.gz GSBOCRHQXCJKBH-UHFFFAOYSA-N 1 0 364.320 2.767 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](C)[C@@](C)(OC)C1CC1 ZINC000411967646 512893196 /nfs/dbraw/zinc/89/31/96/512893196.db2.gz ILHFYULWIAYNGF-KZULUSFZSA-N 1 0 365.430 2.725 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](C)[C@](C)(OC)C1CC1 ZINC000411967650 512893674 /nfs/dbraw/zinc/89/36/74/512893674.db2.gz ILHFYULWIAYNGF-XIKOKIGWSA-N 1 0 365.430 2.725 20 5 FFBDRO NC(=O)[C@@H]1C[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000411988809 512903511 /nfs/dbraw/zinc/90/35/11/512903511.db2.gz WIXXGFJTYITESR-JKSUJKDBSA-N 1 0 359.813 2.949 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H](c1ccccc1)[C@H]1CCOC1 ZINC000374593396 512907148 /nfs/dbraw/zinc/90/71/48/512907148.db2.gz JFTIWHXXQIGPAW-SQGPQFPESA-N 1 0 372.421 2.702 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1SC ZINC000374627351 512924800 /nfs/dbraw/zinc/92/48/00/512924800.db2.gz XBDRQYVXCBCVPH-UHTWSYAYSA-N 1 0 365.455 2.525 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000392979440 512930543 /nfs/dbraw/zinc/93/05/43/512930543.db2.gz OQRZGAODWZOFKE-HNNXBMFYSA-N 1 0 363.439 2.662 20 5 FFBDRO Cn1cnc([N+](=O)[O-])c1CN1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000368446079 512952316 /nfs/dbraw/zinc/95/23/16/512952316.db2.gz SPJJJDWQQMRIQQ-ROUUACIJSA-N 1 0 369.469 2.815 20 5 FFBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000372616823 512971023 /nfs/dbraw/zinc/97/10/23/512971023.db2.gz FJLPECHTZNHDEG-JSGCOSHPSA-N 1 0 366.849 2.745 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(CC(=O)NCC2(C[NH+](C)C)CCCC2)c1F ZINC000412257505 513013979 /nfs/dbraw/zinc/01/39/79/513013979.db2.gz WYVWEVZVFZTZMS-UHFFFAOYSA-N 1 0 367.421 2.523 20 5 FFBDRO CCn1nc2c(cc1=O)CN(c1cc(C)[nH+]c3ccc([N+](=O)[O-])cc31)CC2 ZINC000368605581 513022211 /nfs/dbraw/zinc/02/22/11/513022211.db2.gz TYUWZEAWKRQSBK-UHFFFAOYSA-N 1 0 365.393 2.591 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N3C[C@@H]4CC[N@H+](C)[C@@H]4C3)cc2[N+](=O)[O-])C1 ZINC000408461376 513070912 /nfs/dbraw/zinc/07/09/12/513070912.db2.gz AEHREJFHPHIYNI-SIXWZSSISA-N 1 0 372.469 2.607 20 5 FFBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000417710160 513175869 /nfs/dbraw/zinc/17/58/69/513175869.db2.gz CVAXFXVANSDGGC-SFHVURJKSA-N 1 0 374.485 2.949 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]([NH+](CC)CC)C1 ZINC000439933988 513214194 /nfs/dbraw/zinc/21/41/94/513214194.db2.gz QWRSXRQGNCTEOB-CQSZACIVSA-N 1 0 350.419 2.942 20 5 FFBDRO Cc1ccc([C@H](C)NC(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000417850223 513237324 /nfs/dbraw/zinc/23/73/24/513237324.db2.gz MHEVBYGXHOSTME-UAGQMJEPSA-N 1 0 360.458 2.995 20 5 FFBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000429007861 513250051 /nfs/dbraw/zinc/25/00/51/513250051.db2.gz WLHRVSOBMCJBBC-RKVPGOIHSA-N 1 0 360.458 2.586 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000429040833 513264754 /nfs/dbraw/zinc/26/47/54/513264754.db2.gz NGGQSHMYLVKPGJ-URLQWDBASA-N 1 0 374.485 2.894 20 5 FFBDRO COc1c[nH+]ccc1N1CCN(C(=O)c2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000421529882 513297663 /nfs/dbraw/zinc/29/76/63/513297663.db2.gz CTFLQNDLULVSAK-UHFFFAOYSA-N 1 0 370.409 2.578 20 5 FFBDRO Cc1c(NC(=O)N2CCC(C[NH3+])CC2)cc(Br)cc1[N+](=O)[O-] ZINC000415658704 513366229 /nfs/dbraw/zinc/36/62/29/513366229.db2.gz NUEQPXMWEKZDEN-UHFFFAOYSA-N 1 0 371.235 2.868 20 5 FFBDRO C[C@@H]1CN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[C@@H](C)C[NH2+]1 ZINC000418085803 513366923 /nfs/dbraw/zinc/36/69/23/513366923.db2.gz AXVBDGYVTBWFCZ-ZJUUUORDSA-N 1 0 360.336 2.505 20 5 FFBDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000418088950 513367432 /nfs/dbraw/zinc/36/74/32/513367432.db2.gz LGSCXJFIQGPCTQ-PWSUYJOCSA-N 1 0 374.363 2.882 20 5 FFBDRO [NH3+][C@H]1CCC[C@H](NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000418089951 513368854 /nfs/dbraw/zinc/36/88/54/513368854.db2.gz NCNMNHZXTIQDOJ-RYUDHWBXSA-N 1 0 360.336 2.683 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000450866130 513375003 /nfs/dbraw/zinc/37/50/03/513375003.db2.gz SXCOYTBRKHTASU-QGTPRVQTSA-N 1 0 359.426 2.779 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000421704661 513376883 /nfs/dbraw/zinc/37/68/83/513376883.db2.gz PJQANXNNQIGJQR-AAEUAGOBSA-N 1 0 355.822 2.568 20 5 FFBDRO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000415687886 513380782 /nfs/dbraw/zinc/38/07/82/513380782.db2.gz BOHBHODOODRAFK-CQSZACIVSA-N 1 0 369.219 2.575 20 5 FFBDRO COC(=O)c1cc(NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc(C)c1[N+](=O)[O-] ZINC000440714260 513391076 /nfs/dbraw/zinc/39/10/76/513391076.db2.gz DMWXUSCORUHTFX-OKILXGFUSA-N 1 0 365.430 2.601 20 5 FFBDRO CO[C@H]1CCN(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000415705600 513391440 /nfs/dbraw/zinc/39/14/40/513391440.db2.gz TZJDYPJFYOQUEB-KBPBESRZSA-N 1 0 364.446 2.862 20 5 FFBDRO C[C@H](NC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000418233013 513433758 /nfs/dbraw/zinc/43/37/58/513433758.db2.gz NLSQHEUEKTYXOE-DOPJRALCSA-N 1 0 354.410 2.711 20 5 FFBDRO O=C1CCCCCN1CCC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447514424 513494747 /nfs/dbraw/zinc/49/47/47/513494747.db2.gz FAJBOEGTKHRGFP-HZPDHXFCSA-N 1 0 363.462 2.657 20 5 FFBDRO COc1ccc(-c2ccc(C[N@@H+]3CC[C@@]4(CNC(=O)C4)C3)o2)c([N+](=O)[O-])c1 ZINC000435048431 513498192 /nfs/dbraw/zinc/49/81/92/513498192.db2.gz AMLSOBYTJFPOSE-LJQANCHMSA-N 1 0 371.393 2.575 20 5 FFBDRO CC[NH+]1CCC(N2CCCN(C(=O)c3ccc(C)c([N+](=O)[O-])c3)CC2)CC1 ZINC000422006567 513516744 /nfs/dbraw/zinc/51/67/44/513516744.db2.gz LYKKSAZHAAUHBV-UHFFFAOYSA-N 1 0 374.485 2.535 20 5 FFBDRO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)[C@]12CCCO2 ZINC000447594344 513517360 /nfs/dbraw/zinc/51/73/60/513517360.db2.gz YGSWCOYNOCTGHP-XLKGFZLASA-N 1 0 364.446 2.591 20 5 FFBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])c3ncccc23)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000413211165 513524102 /nfs/dbraw/zinc/52/41/02/513524102.db2.gz HMEPURXIFSMFOW-WBVHZDCISA-N 1 0 369.469 2.605 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N(C3CC3)[C@@H]3CC[NH2+]C3)cc2[N+](=O)[O-])CC1 ZINC000435236172 513540160 /nfs/dbraw/zinc/54/01/60/513540160.db2.gz QOFBQVUJYLOUQW-QGZVFWFLSA-N 1 0 372.469 2.798 20 5 FFBDRO Cc1cc(OCC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000430106586 513555347 /nfs/dbraw/zinc/55/53/47/513555347.db2.gz RMQLQTRYWPSAOT-QGZVFWFLSA-N 1 0 373.409 2.828 20 5 FFBDRO COc1cc(CN2CC[NH2+]CC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000435379576 513570028 /nfs/dbraw/zinc/57/00/28/513570028.db2.gz JUIOTNBNEDFSKV-UHFFFAOYSA-N 1 0 357.410 2.588 20 5 FFBDRO O=C(CNc1ccc([N+](=O)[O-])c2ncccc12)NCC[NH+]1CCCCCC1 ZINC000413303006 513579470 /nfs/dbraw/zinc/57/94/70/513579470.db2.gz NPXGDCFPSAUALO-UHFFFAOYSA-N 1 0 371.441 2.547 20 5 FFBDRO C[NH+](C)[C@H]1CCC[C@@H](Nc2cc(CN3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000447817337 513581413 /nfs/dbraw/zinc/58/14/13/513581413.db2.gz NNCPNWMIHCKYEQ-SJORKVTESA-N 1 0 362.474 2.712 20 5 FFBDRO COCC[NH+]1CCC(Nc2c(Cl)cc([N+](=O)[O-])cc2C(=O)OC)CC1 ZINC000447818833 513581966 /nfs/dbraw/zinc/58/19/66/513581966.db2.gz ZARZWSLKLNUZNA-UHFFFAOYSA-N 1 0 371.821 2.558 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H]1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000430211262 513588864 /nfs/dbraw/zinc/58/88/64/513588864.db2.gz XHOPTXFDWRHADD-RLFYNMQTSA-N 1 0 363.458 2.677 20 5 FFBDRO CC(C)[N@@H+](Cc1ccc(Br)cc1[N+](=O)[O-])C[C@H]1CCC(=O)N1 ZINC000425485955 513592687 /nfs/dbraw/zinc/59/26/87/513592687.db2.gz XCIOOUXWYNEEQH-CYBMUJFWSA-N 1 0 370.247 2.846 20 5 FFBDRO COc1ccc(Cl)cc1C(C)(C)[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000425507193 513608011 /nfs/dbraw/zinc/60/80/11/513608011.db2.gz DWVUALSFVZSYGZ-UHFFFAOYSA-N 1 0 365.817 2.943 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000447911009 513621908 /nfs/dbraw/zinc/62/19/08/513621908.db2.gz GXHTXROMRYCVLA-OAHLLOKOSA-N 1 0 350.419 2.845 20 5 FFBDRO COc1ccc(NC(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)cc1[N+](=O)[O-] ZINC000448005174 513655892 /nfs/dbraw/zinc/65/58/92/513655892.db2.gz SXKRKRIOGVJNDU-OAHLLOKOSA-N 1 0 350.419 2.845 20 5 FFBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000451340596 513685825 /nfs/dbraw/zinc/68/58/25/513685825.db2.gz JVXPUFXOVAKAGL-KKBFJZEXSA-N 1 0 361.442 2.937 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2noc(CN3CCC([NH2+]CC4CC4)CC3)n2)c1 ZINC000430584284 513697003 /nfs/dbraw/zinc/69/70/03/513697003.db2.gz OUWQACYLPZHGPB-UHFFFAOYSA-N 1 0 357.414 2.609 20 5 FFBDRO COc1cc(CN2CCCC[C@H]2[C@@H](C)[NH3+])c([N+](=O)[O-])cc1OC(F)F ZINC000430636416 513707599 /nfs/dbraw/zinc/70/75/99/513707599.db2.gz YOPPWLCDQCRABN-PWSUYJOCSA-N 1 0 359.373 2.907 20 5 FFBDRO Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)cccc1[N+](=O)[O-] ZINC000451430622 513748063 /nfs/dbraw/zinc/74/80/63/513748063.db2.gz YCBHJHSWOBHVIA-QGTPRVQTSA-N 1 0 361.442 2.857 20 5 FFBDRO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000430828383 513759233 /nfs/dbraw/zinc/75/92/33/513759233.db2.gz SNGDAYFAWTUWKK-YJBOKZPZSA-N 1 0 363.458 2.990 20 5 FFBDRO CC1(C)[C@H]([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1OCc1ccccc1 ZINC000451489387 513784883 /nfs/dbraw/zinc/78/48/83/513784883.db2.gz DZPNMHQSIZJCOU-MSOLQXFVSA-N 1 0 371.437 2.730 20 5 FFBDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3cnn(-c4ccc(F)cc4)c3)CC2)n1 ZINC000425979578 513814729 /nfs/dbraw/zinc/81/47/29/513814729.db2.gz LFWVWJBOPCLCGI-UHFFFAOYSA-N 1 0 370.388 2.953 20 5 FFBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000448706585 513857368 /nfs/dbraw/zinc/85/73/68/513857368.db2.gz ZIGMNKISNLXKOM-LSDHHAIUSA-N 1 0 371.441 2.631 20 5 FFBDRO CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000451600601 513858303 /nfs/dbraw/zinc/85/83/03/513858303.db2.gz RMKZZTSYXQAVIJ-OCCSQVGLSA-N 1 0 354.378 2.954 20 5 FFBDRO C[NH+](C)CCOc1ccc(NC(=O)Cc2ccccc2[N+](=O)[O-])c(F)c1 ZINC000413898386 513872121 /nfs/dbraw/zinc/87/21/21/513872121.db2.gz GIFMDBNTJRFDOJ-UHFFFAOYSA-N 1 0 361.373 2.856 20 5 FFBDRO O=C(CNc1ccc([N+](=O)[O-])cc1Cl)NCC[NH+]1CCCCCC1 ZINC000431502813 513912646 /nfs/dbraw/zinc/91/26/46/513912646.db2.gz RYJKNXXQGQHOFF-UHFFFAOYSA-N 1 0 354.838 2.652 20 5 FFBDRO CCCN(CC[NH+]1CCCC1)C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000451694137 513915607 /nfs/dbraw/zinc/91/56/07/513915607.db2.gz LWUOPJJLCWTUIS-UHFFFAOYSA-N 1 0 371.441 2.729 20 5 FFBDRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000422857401 513955318 /nfs/dbraw/zinc/95/53/18/513955318.db2.gz HIZQZPFPGCARIM-JQWIXIFHSA-N 1 0 357.863 2.974 20 5 FFBDRO CC(C)CN(CC[NH+](C)C)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000448908298 513963546 /nfs/dbraw/zinc/96/35/46/513963546.db2.gz FZJVWCXFKVVKNP-UHFFFAOYSA-N 1 0 359.430 2.645 20 5 FFBDRO COc1ccc(C[NH2+]C[C@H]2CC[C@@H](c3nc(C4CC4)no3)O2)cc1[N+](=O)[O-] ZINC000431674721 513965081 /nfs/dbraw/zinc/96/50/81/513965081.db2.gz UJZLSMDPVPIOEF-CJNGLKHVSA-N 1 0 374.397 2.874 20 5 FFBDRO C[C@@H]([NH2+]C[C@H](O)Cn1ccnn1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000414198114 514007225 /nfs/dbraw/zinc/00/72/25/514007225.db2.gz WBIUKQUWJOFZGE-OLZOCXBDSA-N 1 0 373.438 2.627 20 5 FFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC1(CS(C)(=O)=O)CCC1 ZINC000414320113 514046061 /nfs/dbraw/zinc/04/60/61/514046061.db2.gz ABWVHWIEERBFKM-AWEZNQCLSA-N 1 0 354.472 2.720 20 5 FFBDRO CS(=O)(=O)CC1(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCC1 ZINC000414321918 514047043 /nfs/dbraw/zinc/04/70/43/514047043.db2.gz DSZYTSKFFVVQGE-INIZCTEOSA-N 1 0 352.456 2.777 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](O)CN1CCc2ccccc2C1 ZINC000449071328 514059648 /nfs/dbraw/zinc/05/96/48/514059648.db2.gz AZEKDWPYHWUQOF-OXQOHEQNSA-N 1 0 369.465 2.535 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000426881549 514067066 /nfs/dbraw/zinc/06/70/66/514067066.db2.gz JVXDQDHRECJWBO-INIZCTEOSA-N 1 0 357.410 2.506 20 5 FFBDRO Cc1ccc(S(=O)(=O)Nc2ccc(C[NH+](C)C)cc2F)cc1[N+](=O)[O-] ZINC000414399056 514093485 /nfs/dbraw/zinc/09/34/85/514093485.db2.gz UXCNHQXKAYKVAA-UHFFFAOYSA-N 1 0 367.402 2.905 20 5 FFBDRO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000449189758 514105029 /nfs/dbraw/zinc/10/50/29/514105029.db2.gz MOLKAHBWUOWZAG-HUUCEWRRSA-N 1 0 358.442 2.631 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(c2nnc3n2CCNC3)CC1 ZINC000420360480 514109713 /nfs/dbraw/zinc/10/97/13/514109713.db2.gz WSZSKMDNGOVESR-CQSZACIVSA-N 1 0 370.457 2.539 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2noc(CN3CCCC[C@H]3[C@H]3CC[NH2+]C3)n2)c1 ZINC000420413083 514138887 /nfs/dbraw/zinc/13/88/87/514138887.db2.gz ZPFVPAUHDQNXPO-HOCLYGCPSA-N 1 0 357.414 2.609 20 5 FFBDRO COc1ccc(C[NH2+][C@H]2CCN(c3ccc(F)cc3)C2=O)cc1[N+](=O)[O-] ZINC000414529182 514165789 /nfs/dbraw/zinc/16/57/89/514165789.db2.gz OYJUJHVBLNCAIB-HNNXBMFYSA-N 1 0 359.357 2.638 20 5 FFBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NCC[C@H]3CCC[NH2+]3)cc2[N+](=O)[O-])C1 ZINC000444256880 514169699 /nfs/dbraw/zinc/16/96/99/514169699.db2.gz APQFRQFHVVBDLV-BFYDXBDKSA-N 1 0 374.485 2.949 20 5 FFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H](CO)c1ccc(F)cc1 ZINC000449380424 514186983 /nfs/dbraw/zinc/18/69/83/514186983.db2.gz MYKBKWUCEVSROG-SJKOYZFVSA-N 1 0 361.373 2.774 20 5 FFBDRO C[C@@H](CNc1c(C(N)=O)cccc1[N+](=O)[O-])[N@@H+]1CCc2sccc2C1 ZINC000420585763 514192930 /nfs/dbraw/zinc/19/29/30/514192930.db2.gz MYTHOSYRSTWVIT-NSHDSACASA-N 1 0 360.439 2.614 20 5 FFBDRO C[C@@H](CNc1c(C(N)=O)cccc1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000420586004 514193509 /nfs/dbraw/zinc/19/35/09/514193509.db2.gz NPLKXKDOERPWDM-ZDUSSCGKSA-N 1 0 354.410 2.552 20 5 FFBDRO Cc1ccc([C@@H](CNc2c(C(N)=O)cccc2[N+](=O)[O-])[NH+]2CCCC2)o1 ZINC000420591397 514194970 /nfs/dbraw/zinc/19/49/70/514194970.db2.gz YHKFLDYQIUQVCV-OAHLLOKOSA-N 1 0 358.398 2.844 20 5 FFBDRO COc1cc(C[NH2+]CC2=CCOCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000449403547 514196655 /nfs/dbraw/zinc/19/66/55/514196655.db2.gz QMVBKVLGWYKYOZ-UHFFFAOYSA-N 1 0 358.341 2.684 20 5 FFBDRO C[C@@H]1C[C@H](Nc2c(C(N)=O)cccc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000420602226 514197614 /nfs/dbraw/zinc/19/76/14/514197614.db2.gz OLQWAHCQYMZJKM-HIFRSBDPSA-N 1 0 354.410 2.769 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2[NH2+]CCc3ccccc32)c1 ZINC000423682409 514200182 /nfs/dbraw/zinc/20/01/82/514200182.db2.gz VWPASGJHVPYZEI-QGZVFWFLSA-N 1 0 355.394 2.610 20 5 FFBDRO CC(C)[C@@H](CO)[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)C(C)C ZINC000449504574 514231492 /nfs/dbraw/zinc/23/14/92/514231492.db2.gz AASFCZJKLNWWAT-IAGOWNOFSA-N 1 0 352.431 2.840 20 5 FFBDRO CC[C@H]([NH2+]Cc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-])[C@H](C)O ZINC000449537621 514246424 /nfs/dbraw/zinc/24/64/24/514246424.db2.gz GFNHBMDQTIBPAX-ONGXEEELSA-N 1 0 366.336 2.794 20 5 FFBDRO CCCc1n[nH]c(C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)c1[N+](=O)[O-] ZINC000437873589 514257304 /nfs/dbraw/zinc/25/73/04/514257304.db2.gz IRVZBNKTYQKBLG-CQSZACIVSA-N 1 0 363.462 2.797 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N[C@H]3C[NH2+]CC[C@@H]3C)cc2[N+](=O)[O-])C1 ZINC000427589999 514257863 /nfs/dbraw/zinc/25/78/63/514257863.db2.gz VZEJFXRWWJZTRL-YCPHGPKFSA-N 1 0 360.458 2.559 20 5 FFBDRO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000423851337 514263731 /nfs/dbraw/zinc/26/37/31/514263731.db2.gz RSQKWUPCBFDBBO-GOSISDBHSA-N 1 0 359.813 2.796 20 5 FFBDRO [NH3+][C@@H]1CCO[C@@H](C2CCN(C(=O)c3c(Cl)cccc3[N+](=O)[O-])CC2)C1 ZINC000424003843 514332961 /nfs/dbraw/zinc/33/29/61/514332961.db2.gz AAJYMLVJQXBBKY-IUODEOHRSA-N 1 0 367.833 2.607 20 5 FFBDRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000424008818 514337350 /nfs/dbraw/zinc/33/73/50/514337350.db2.gz XBTTYAPZPIEJJA-MAUKXSAKSA-N 1 0 373.409 2.700 20 5 FFBDRO COCC[NH2+]CCNCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000414885170 514340657 /nfs/dbraw/zinc/34/06/57/514340657.db2.gz OHTXQPADOQYEHX-UHFFFAOYSA-N 1 0 353.806 2.834 20 5 FFBDRO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000424036744 514351725 /nfs/dbraw/zinc/35/17/25/514351725.db2.gz FLVZVEAIJZJBDA-SFHVURJKSA-N 1 0 361.442 2.600 20 5 FFBDRO [NH3+]CC[C@H]1CCCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000414945481 514369514 /nfs/dbraw/zinc/36/95/14/514369514.db2.gz IJWRGCSJUQZPNJ-SNVBAGLBSA-N 1 0 358.345 2.789 20 5 FFBDRO CN1CC[NH2+]C[C@H]1CNCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000414978830 514385097 /nfs/dbraw/zinc/38/50/97/514385097.db2.gz SOSNIKNHCWXCOA-ZDUSSCGKSA-N 1 0 364.833 2.501 20 5 FFBDRO COc1ccc(-c2ccc(CN[C@@H]3C[NH2+]CCC3(F)F)o2)c([N+](=O)[O-])c1 ZINC000414993631 514391008 /nfs/dbraw/zinc/39/10/08/514391008.db2.gz CSAJIUGFCKMSJJ-MRXNPFEDSA-N 1 0 367.352 2.950 20 5 FFBDRO CC1CC[NH+](C[C@@H](O)CN[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000433181192 514407134 /nfs/dbraw/zinc/40/71/34/514407134.db2.gz XGKJKDZNBQVWKG-LPHOPBHVSA-N 1 0 361.486 3.000 20 5 FFBDRO C[C@H]1CC2(CN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)CC[NH2+]CC2 ZINC000424289062 514446431 /nfs/dbraw/zinc/44/64/31/514446431.db2.gz LILVSDDWBHNEGZ-LBPRGKRZSA-N 1 0 366.849 2.651 20 5 FFBDRO CS(=O)(=O)CCCC[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000424305525 514452518 /nfs/dbraw/zinc/45/25/18/514452518.db2.gz DSSRAOYETZTNQW-GOEBONIOSA-N 1 0 354.472 2.720 20 5 FFBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CCN3CCc4ccccc43)C2)nc1 ZINC000428386149 514463522 /nfs/dbraw/zinc/46/35/22/514463522.db2.gz WQJKEKUMVKUYCO-INIZCTEOSA-N 1 0 353.426 2.539 20 5 FFBDRO COc1cc(C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)c([N+](=O)[O-])cc1F ZINC000450018037 514466678 /nfs/dbraw/zinc/46/66/78/514466678.db2.gz QMVBILGPAQNNEZ-CYBMUJFWSA-N 1 0 365.405 2.546 20 5 FFBDRO CCc1cc(NCC2([NH+](C)C)CCC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000445605193 514498549 /nfs/dbraw/zinc/49/85/49/514498549.db2.gz QAQZLNSKVKONGL-UHFFFAOYSA-N 1 0 355.442 2.932 20 5 FFBDRO C[NH+](C)C1(CNC(=O)Nc2ccc([N+](=O)[O-])cc2)Cc2ccccc2C1 ZINC000466003553 514536672 /nfs/dbraw/zinc/53/66/72/514536672.db2.gz GEZCQBMAXIOJEL-UHFFFAOYSA-N 1 0 354.410 2.816 20 5 FFBDRO CCOC(=O)[C@@]1(COC)CCC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000439484837 514563173 /nfs/dbraw/zinc/56/31/73/514563173.db2.gz FTFLJRHNYIJMST-KSSFIOAISA-N 1 0 350.415 2.948 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@@H](O)Cc2cccc(F)c2)n1 ZINC000453226409 514573964 /nfs/dbraw/zinc/57/39/64/514573964.db2.gz XSDFIOQKRKGPHH-YESZJQIVSA-N 1 0 362.405 2.607 20 5 FFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCN(CCCO)C1 ZINC000453268544 514583000 /nfs/dbraw/zinc/58/30/00/514583000.db2.gz QEEUNAIVJKPLDU-HOTGVXAUSA-N 1 0 367.515 2.902 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475309826 514612376 /nfs/dbraw/zinc/61/23/76/514612376.db2.gz YQYDBOQVIQHODO-KRWDZBQOSA-N 1 0 369.421 2.950 20 5 FFBDRO Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000507945413 514619533 /nfs/dbraw/zinc/61/95/33/514619533.db2.gz LTPYUGKEDUFZGG-HNNXBMFYSA-N 1 0 370.457 2.703 20 5 FFBDRO CN(C(=O)COc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475322270 514619928 /nfs/dbraw/zinc/61/99/28/514619928.db2.gz OKQSCELPLGVWNC-GOSISDBHSA-N 1 0 369.421 2.707 20 5 FFBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000458209739 514631021 /nfs/dbraw/zinc/63/10/21/514631021.db2.gz KRCOJIAGIUUPBJ-NSHDSACASA-N 1 0 370.247 2.819 20 5 FFBDRO COc1ccc(C[NH2+][C@@H](C)C(=O)N2Cc3ccccc3C2)cc1[N+](=O)[O-] ZINC000475503101 514693032 /nfs/dbraw/zinc/69/30/32/514693032.db2.gz LXXARRHJFQXJCE-ZDUSSCGKSA-N 1 0 355.394 2.624 20 5 FFBDRO C[NH+](C)CC1(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CCC1 ZINC000466578815 514699378 /nfs/dbraw/zinc/69/93/78/514699378.db2.gz URONERSBISIXDL-UHFFFAOYSA-N 1 0 357.863 2.941 20 5 FFBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000470976958 514704240 /nfs/dbraw/zinc/70/42/40/514704240.db2.gz MIZFRBOZLUOBJE-HOCLYGCPSA-N 1 0 360.458 2.586 20 5 FFBDRO Cc1cc(NCC[N@H+]2CCC[C@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000489173399 514737401 /nfs/dbraw/zinc/73/74/01/514737401.db2.gz GKRWWRXAHHBGMH-AWEZNQCLSA-N 1 0 355.442 2.926 20 5 FFBDRO CCCC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000502713452 514749254 /nfs/dbraw/zinc/74/92/54/514749254.db2.gz XGBKJYDFFWKEPE-CQSZACIVSA-N 1 0 355.460 2.528 20 5 FFBDRO C[NH+](C)CCc1ccc(CNC(=O)NCCc2cccc([N+](=O)[O-])c2)cc1 ZINC000466761262 514759507 /nfs/dbraw/zinc/75/95/07/514759507.db2.gz BFIGCLOBFKLDRJ-UHFFFAOYSA-N 1 0 370.453 2.741 20 5 FFBDRO COc1cc(C[N@@H+]2CCC[C@H]2CN2C[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000489231148 514761168 /nfs/dbraw/zinc/76/11/68/514761168.db2.gz IPQZPDOHUQGPPA-UXLLHSPISA-N 1 0 363.458 2.677 20 5 FFBDRO COCC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@@H]1CC[C@H](C)C1 ZINC000484852102 514815451 /nfs/dbraw/zinc/81/54/51/514815451.db2.gz BBFYMDWTSMAWLC-UONOGXRCSA-N 1 0 365.430 2.679 20 5 FFBDRO Cc1c(CNC(=O)N(CC[NH+](C)C)Cc2ccco2)cccc1[N+](=O)[O-] ZINC000480065990 514829786 /nfs/dbraw/zinc/82/97/86/514829786.db2.gz WYIPSDXTICXFIJ-UHFFFAOYSA-N 1 0 360.414 2.770 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1C ZINC000484929729 514847223 /nfs/dbraw/zinc/84/72/23/514847223.db2.gz XZZUPTUKEOZWMH-CZUORRHYSA-N 1 0 359.430 2.949 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1C ZINC000484929725 514847934 /nfs/dbraw/zinc/84/79/34/514847934.db2.gz XZZUPTUKEOZWMH-CJNGLKHVSA-N 1 0 359.430 2.949 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)NCCCC[NH+](C)C)cc2[N+](=O)[O-])C1 ZINC000498344487 514872027 /nfs/dbraw/zinc/87/20/27/514872027.db2.gz JSVORLSUSOOLIH-OAHLLOKOSA-N 1 0 362.474 2.903 20 5 FFBDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000471538168 514921221 /nfs/dbraw/zinc/92/12/21/514921221.db2.gz HQJDYPMVUWVMJF-ZDUSSCGKSA-N 1 0 369.849 2.821 20 5 FFBDRO COCC[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C[C@@H]1CC=CCC1 ZINC000485142080 514933879 /nfs/dbraw/zinc/93/38/79/514933879.db2.gz METYKNLEEYISIE-MRXNPFEDSA-N 1 0 373.453 2.789 20 5 FFBDRO CC[NH+](CC)C[C@H](C)Nc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000480489939 514974183 /nfs/dbraw/zinc/97/41/83/514974183.db2.gz LZKXVNWYJGAZHD-ZDUSSCGKSA-N 1 0 359.430 2.702 20 5 FFBDRO COc1cc(C(=O)N[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)cc([N+](=O)[O-])c1C ZINC000480581396 515007781 /nfs/dbraw/zinc/00/77/81/515007781.db2.gz BPVSHUCPLSRDOM-DLBZAZTESA-N 1 0 369.421 2.739 20 5 FFBDRO COCC[N@H+](C)CCCNc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000485410994 515029734 /nfs/dbraw/zinc/02/97/34/515029734.db2.gz USJCTZAVMFRWDZ-UHFFFAOYSA-N 1 0 362.405 2.598 20 5 FFBDRO COC(=O)C(C)(C)N1CCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000489942940 515040602 /nfs/dbraw/zinc/04/06/02/515040602.db2.gz GJXZFXKVZFUFHT-UHFFFAOYSA-N 1 0 372.425 2.525 20 5 FFBDRO CCOC(=O)[C@@]1(COC)CCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000467550445 515045257 /nfs/dbraw/zinc/04/52/57/515045257.db2.gz KKANYAXBAPSRSZ-QBUQCISBSA-N 1 0 362.426 2.900 20 5 FFBDRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)C(=O)Nc3cccc([N+](=O)[O-])c3)ccc21 ZINC000453990186 515105382 /nfs/dbraw/zinc/10/53/82/515105382.db2.gz OYNVOLLYTUPADV-QGZVFWFLSA-N 1 0 368.393 2.721 20 5 FFBDRO Cc1sc(S(=O)(=O)N[C@H](C)C[NH+]2CCCCCC2)cc1[N+](=O)[O-] ZINC000476599791 515123422 /nfs/dbraw/zinc/12/34/22/515123422.db2.gz BPMFIUJNULYPMA-LLVKDONJSA-N 1 0 361.489 2.508 20 5 FFBDRO Cc1ccccc1C[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000485652874 515129172 /nfs/dbraw/zinc/12/91/72/515129172.db2.gz BSHQTDMFRHATID-UHFFFAOYSA-N 1 0 356.426 2.636 20 5 FFBDRO COc1ccc(C(=O)CC[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000509359883 515140183 /nfs/dbraw/zinc/14/01/83/515140183.db2.gz UEZJKXZRFXZRAE-OAHLLOKOSA-N 1 0 370.409 2.758 20 5 FFBDRO COCCO[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000485686423 515141246 /nfs/dbraw/zinc/14/12/46/515141246.db2.gz JOUQXHPEAGIDCU-WMZOPIPTSA-N 1 0 352.431 2.628 20 5 FFBDRO COCCO[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000485686422 515141895 /nfs/dbraw/zinc/14/18/95/515141895.db2.gz JOUQXHPEAGIDCU-SJLPKXTDSA-N 1 0 352.431 2.628 20 5 FFBDRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000456382415 515143910 /nfs/dbraw/zinc/14/39/10/515143910.db2.gz OULFOKUAMUDTCN-GFCCVEGCSA-N 1 0 357.357 2.753 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)CC[NH+](C(C)C)C(C)C ZINC000503979381 515187529 /nfs/dbraw/zinc/18/75/29/515187529.db2.gz SZVMEBHDSUTMGC-UHFFFAOYSA-N 1 0 357.476 2.643 20 5 FFBDRO Cc1c(Cl)cc(S(=O)(=O)Nc2cc[nH+]c(N(C)C)c2)cc1[N+](=O)[O-] ZINC000481052850 515187918 /nfs/dbraw/zinc/18/79/18/515187918.db2.gz QYUKJVOKKZIAKN-UHFFFAOYSA-N 1 0 370.818 2.818 20 5 FFBDRO Cc1c(Br)cc(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000509649673 515273738 /nfs/dbraw/zinc/27/37/38/515273738.db2.gz FZSZOZABIQPBNM-LLVKDONJSA-N 1 0 368.231 2.632 20 5 FFBDRO C[C@H](C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)[NH+]1CCCCCC1 ZINC000509674187 515283548 /nfs/dbraw/zinc/28/35/48/515283548.db2.gz ZKLOSCOBTMRZDP-MRXNPFEDSA-N 1 0 360.458 2.508 20 5 FFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCC1CCS(=O)(=O)CC1 ZINC000468608483 515434331 /nfs/dbraw/zinc/43/43/31/515434331.db2.gz MWPXKWPKGYUHSM-SDNWHVSQSA-N 1 0 352.456 2.803 20 5 FFBDRO CCOC(=O)C[C@](C)([NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-])C(C)C ZINC000481709463 515434749 /nfs/dbraw/zinc/43/47/49/515434749.db2.gz VYTIJHHUOOOWNZ-SFHVURJKSA-N 1 0 365.430 2.799 20 5 FFBDRO CCOc1ccc(C(=O)N[C@H]2C[N@H+](C)C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000481714296 515436482 /nfs/dbraw/zinc/43/64/82/515436482.db2.gz NQZGTSPIJBFFKK-IRXDYDNUSA-N 1 0 369.421 2.821 20 5 FFBDRO CSc1ccc(C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)cc1[N+](=O)[O-] ZINC000505117856 515450996 /nfs/dbraw/zinc/45/09/96/515450996.db2.gz DHOFGDQAGLTUPA-UHFFFAOYSA-N 1 0 355.379 2.572 20 5 FFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000468651556 515453555 /nfs/dbraw/zinc/45/35/55/515453555.db2.gz ZXWSFLVXCLVUOK-NQUDRAQSSA-N 1 0 355.442 2.990 20 5 FFBDRO C[C@@H](C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)[NH+]1CCCCCC1 ZINC000510180946 515460610 /nfs/dbraw/zinc/46/06/10/515460610.db2.gz NTLYGKREDCQHND-INIZCTEOSA-N 1 0 360.458 2.508 20 5 FFBDRO CC(C)(C)CC[NH+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000477472310 515469234 /nfs/dbraw/zinc/46/92/34/515469234.db2.gz FLCPBUIXFFDWKX-UHFFFAOYSA-N 1 0 351.422 2.857 20 5 FFBDRO CC[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)[N@@H+]1CCc2ccccc2C1 ZINC000468729510 515490517 /nfs/dbraw/zinc/49/05/17/515490517.db2.gz PGLKMYOQGGDMEO-MRXNPFEDSA-N 1 0 368.437 2.744 20 5 FFBDRO CO[C@@H](CC[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000468769737 515511188 /nfs/dbraw/zinc/51/11/88/515511188.db2.gz AOXRGINWOGFCTM-MFKMUULPSA-N 1 0 363.336 2.869 20 5 FFBDRO CCOc1cc(CN2CC[NH+](CCOC(C)C)CC2)ccc1[N+](=O)[O-] ZINC000492627948 515549179 /nfs/dbraw/zinc/54/91/79/515549179.db2.gz FRWYSKZVVTWHLL-UHFFFAOYSA-N 1 0 351.447 2.536 20 5 FFBDRO CC(C)(C[NH+]1CCCC1)NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000457059684 515614915 /nfs/dbraw/zinc/61/49/15/515614915.db2.gz WUNMHOKNZJFOKC-UHFFFAOYSA-N 1 0 357.357 2.800 20 5 FFBDRO CC1(C)CCC[N@@H+]1CCNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000457063574 515617694 /nfs/dbraw/zinc/61/76/94/515617694.db2.gz WHATYRYRNNCMET-UHFFFAOYSA-N 1 0 370.247 2.962 20 5 FFBDRO CNc1nc(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)ccc1[N+](=O)[O-] ZINC000454647380 515637204 /nfs/dbraw/zinc/63/72/04/515637204.db2.gz CLWWUVPRPKSNDQ-UHFFFAOYSA-N 1 0 369.425 2.557 20 5 FFBDRO C[N@H+](CCCCNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)C1CC1 ZINC000457174850 515705572 /nfs/dbraw/zinc/70/55/72/515705572.db2.gz WYFGPVOHGZEPCO-UHFFFAOYSA-N 1 0 357.357 2.800 20 5 FFBDRO COc1cccc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)c1[N+](=O)[O-] ZINC000494036223 515716920 /nfs/dbraw/zinc/71/69/20/515716920.db2.gz DEZNCQOWQQNQJD-YOEHRIQHSA-N 1 0 369.421 2.996 20 5 FFBDRO Cn1ccnc1[C@@H](NCC[C@H]1CCC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000459734835 515778428 /nfs/dbraw/zinc/77/84/28/515778428.db2.gz OPIITLSDFBKUCH-QAPCUYQASA-N 1 0 357.458 2.739 20 5 FFBDRO Cn1ccnc1[C@@H](NCC[C@@H]1CCC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000459734836 515778459 /nfs/dbraw/zinc/77/84/59/515778459.db2.gz OPIITLSDFBKUCH-YJBOKZPZSA-N 1 0 357.458 2.739 20 5 FFBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000459802941 515816080 /nfs/dbraw/zinc/81/60/80/515816080.db2.gz NFGCFRJBYHZJIS-JEBQAFNWSA-N 1 0 361.442 2.795 20 5 FFBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000459807571 515819755 /nfs/dbraw/zinc/81/97/55/515819755.db2.gz RENCNBLVZBADBZ-DHSIGJKJSA-N 1 0 361.442 2.795 20 5 FFBDRO Cc1c(CNC(=O)NCc2ccc(C[NH+](C)C)cc2)cccc1[N+](=O)[O-] ZINC000478485738 515844027 /nfs/dbraw/zinc/84/40/27/515844027.db2.gz UTBBCOHPEZNFRF-UHFFFAOYSA-N 1 0 356.426 2.964 20 5 FFBDRO Cc1ccc([C@@H](CNC(=O)Cc2ccccc2[N+](=O)[O-])[NH+]2CCCC2)o1 ZINC000506375574 515867258 /nfs/dbraw/zinc/86/72/58/515867258.db2.gz RDLMGLCLIGFQKZ-QGZVFWFLSA-N 1 0 357.410 2.992 20 5 FFBDRO Cn1cc(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000487464072 515869308 /nfs/dbraw/zinc/86/93/08/515869308.db2.gz OEXCRXKCXOABFI-GDBMZVCRSA-N 1 0 371.441 2.598 20 5 FFBDRO Cc1cccc(CN(CC[NH+](C)C)C(=O)COc2ccc([N+](=O)[O-])cc2)c1 ZINC000487564459 515906498 /nfs/dbraw/zinc/90/64/98/515906498.db2.gz OAVMSMQPSPOAOS-UHFFFAOYSA-N 1 0 371.437 2.872 20 5 FFBDRO C[C@@H]1C[C@@H](NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000487819715 515990658 /nfs/dbraw/zinc/99/06/58/515990658.db2.gz QCAGYOWAQVDGCG-BXUZGUMPSA-N 1 0 366.849 2.715 20 5 FFBDRO CC(C)[N@H+](C)CCNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494899839 516003264 /nfs/dbraw/zinc/00/32/64/516003264.db2.gz FFBVJZKZMXRGBP-UHFFFAOYSA-N 1 0 362.352 2.753 20 5 FFBDRO COC1(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)CCCCC1 ZINC000483271635 516012560 /nfs/dbraw/zinc/01/25/60/516012560.db2.gz NUSSTGRQSQHHAL-UHFFFAOYSA-N 1 0 361.442 2.702 20 5 FFBDRO C[NH+](C)C[C@H]1CCCN1C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000464924071 516017506 /nfs/dbraw/zinc/01/75/06/516017506.db2.gz RYFRMRYAWMWZAN-CYBMUJFWSA-N 1 0 355.822 2.570 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N3CCC[C@H]3C[NH+](C)C)cc2[N+](=O)[O-])CC1 ZINC000464928407 516019486 /nfs/dbraw/zinc/01/94/86/516019486.db2.gz XRTQPBUISWIBKW-KRWDZBQOSA-N 1 0 374.485 2.997 20 5 FFBDRO CCCC[N@H+](C)CCNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000487897468 516024052 /nfs/dbraw/zinc/02/40/52/516024052.db2.gz NVSMDAMZQMEJLL-UHFFFAOYSA-N 1 0 356.854 2.822 20 5 FFBDRO CS[C@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C[C@@H]1[NH+]1CCCC1 ZINC000483386856 516057588 /nfs/dbraw/zinc/05/75/88/516057588.db2.gz MVDSUBMNRKALQQ-GJZGRUSLSA-N 1 0 369.874 2.900 20 5 FFBDRO COCC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@@H]1CCC[C@@H]1C ZINC000487998524 516073012 /nfs/dbraw/zinc/07/30/12/516073012.db2.gz IGARPZFQQOKSCD-XJKSGUPXSA-N 1 0 365.430 2.679 20 5 FFBDRO COc1ccc(C[C@@](C)([NH3+])CNc2c3ccccc3ncc2[N+](=O)[O-])cc1 ZINC000488082872 516109828 /nfs/dbraw/zinc/10/98/28/516109828.db2.gz DSURSEXALKHHLN-HXUWFJFHSA-N 1 0 366.421 2.946 20 5 FFBDRO CC(C)[C@@H]1CN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1C ZINC000488083089 516111100 /nfs/dbraw/zinc/11/11/00/516111100.db2.gz YVZUBHVWHNWPAX-LRDDRELGSA-N 1 0 368.865 2.847 20 5 FFBDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000488087552 516112897 /nfs/dbraw/zinc/11/28/97/516112897.db2.gz WUEJIHGHSWHNLO-GASCZTMLSA-N 1 0 371.441 2.773 20 5 FFBDRO C[C@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc2n[nH]cc2c1 ZINC000507267973 516149792 /nfs/dbraw/zinc/14/97/92/516149792.db2.gz OCCATRFGUQUUCJ-SGTLLEGYSA-N 1 0 365.393 2.927 20 5 FFBDRO CC(=Cc1cccc([N+](=O)[O-])c1)C[NH+]1CCC(N2CCCNC2=O)CC1 ZINC000470169515 516158675 /nfs/dbraw/zinc/15/86/75/516158675.db2.gz FXBFPCOYEUCKBG-NTCAYCPXSA-N 1 0 358.442 2.878 20 5 FFBDRO CC(C)C[C@@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])[NH2+][C@@H](C)c1ccccc1 ZINC000488390884 516213530 /nfs/dbraw/zinc/21/35/30/516213530.db2.gz NCKFLHNXHSGLLO-ZFWWWQNUSA-N 1 0 359.430 2.813 20 5 FFBDRO C[NH+](C)[C@@H](CNC(=O)NCCc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000465677783 516227566 /nfs/dbraw/zinc/22/75/66/516227566.db2.gz ACXBGHCXMULTSU-SFHVURJKSA-N 1 0 374.416 2.879 20 5 FFBDRO CCC[C@@](C)([NH3+])C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000496221916 516245645 /nfs/dbraw/zinc/24/56/45/516245645.db2.gz LAKSJERZHZFEMZ-CQSZACIVSA-N 1 0 362.352 2.659 20 5 FFBDRO COc1ccc(OCC[N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000488613301 516275279 /nfs/dbraw/zinc/27/52/79/516275279.db2.gz ZXPNGSMYEKABGX-UHFFFAOYSA-N 1 0 373.409 2.943 20 5 FFBDRO CC[N@@H+]1C[C@@H](C)N(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C[C@H]1C ZINC000497558323 516326445 /nfs/dbraw/zinc/32/64/45/516326445.db2.gz NZNYULTUHCWNQF-HUUCEWRRSA-N 1 0 360.458 2.750 20 5 FFBDRO CC(C)(C)CC[NH+]1CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000535431796 516353137 /nfs/dbraw/zinc/35/31/37/516353137.db2.gz WUYSDXFOOGRBJT-UHFFFAOYSA-N 1 0 362.474 2.901 20 5 FFBDRO O=C([C@H]1CCC[N@H+](Cc2cccnc2)C1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000523134583 516394992 /nfs/dbraw/zinc/39/49/92/516394992.db2.gz QLVQMODVZNSQIA-INIZCTEOSA-N 1 0 366.421 2.791 20 5 FFBDRO COc1ccc(CNC(=O)Nc2ccc3nc(C)cn3c2)cc1[N+](=O)[O-] ZINC000523419241 516465253 /nfs/dbraw/zinc/46/52/53/516465253.db2.gz ZOFKGTXSOKRLGQ-UHFFFAOYSA-N 1 0 355.354 2.881 20 5 FFBDRO COc1ccc(C(=O)NCC[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000540193735 516467906 /nfs/dbraw/zinc/46/79/06/516467906.db2.gz CLEMBPSUEOHGEX-CQSZACIVSA-N 1 0 357.410 2.992 20 5 FFBDRO C[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc2n[nH]cc2c1 ZINC000513204573 516519605 /nfs/dbraw/zinc/51/96/05/516519605.db2.gz GPDSHWOKSUJUQU-BLLLJJGKSA-N 1 0 356.382 2.562 20 5 FFBDRO C[C@@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccc2n[nH]cc2c1 ZINC000513216022 516528351 /nfs/dbraw/zinc/52/83/51/516528351.db2.gz UXBAHNGCHVKXME-GFCCVEGCSA-N 1 0 353.382 2.785 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000540368274 516529495 /nfs/dbraw/zinc/52/94/95/516529495.db2.gz PAXPGDVDRWEWSB-NSHDSACASA-N 1 0 373.365 2.621 20 5 FFBDRO CC[C@H]([NH2+]CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C1CCOCC1 ZINC000540524005 516601810 /nfs/dbraw/zinc/60/18/10/516601810.db2.gz JUWAORRUVCXMPY-HNNXBMFYSA-N 1 0 365.430 2.727 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H]1[C@@H](C)[C@@H](OC)C1(C)C ZINC000561503287 516620361 /nfs/dbraw/zinc/62/03/61/516620361.db2.gz ACWWSPUXDODKNA-OXUXUCFPSA-N 1 0 365.430 2.580 20 5 FFBDRO C[N@H+](CCN1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1)Cc1ccccc1 ZINC000513446028 516626678 /nfs/dbraw/zinc/62/66/78/516626678.db2.gz BMCZZCYYBUXEOX-UHFFFAOYSA-N 1 0 368.481 2.844 20 5 FFBDRO Cc1ccc(NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)c(C[NH+](C)C)c1 ZINC000540720799 516683676 /nfs/dbraw/zinc/68/36/76/516683676.db2.gz BTPRZISUCVMVOO-UHFFFAOYSA-N 1 0 371.393 2.988 20 5 FFBDRO CCc1ccc([C@H](NC[C@H]2C[N@H+](C)CCN2C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000544360839 516723145 /nfs/dbraw/zinc/72/31/45/516723145.db2.gz SDLPLYGWONDUJW-FXAWDEMLSA-N 1 0 372.469 2.675 20 5 FFBDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)c3c[nH]nc3[N+](=O)[O-])cc2)C1 ZINC000548082296 516751534 /nfs/dbraw/zinc/75/15/34/516751534.db2.gz LUKNROKBVAFCOK-KBPBESRZSA-N 1 0 371.441 2.726 20 5 FFBDRO CCC[N@H+](CC)C[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000558479373 516767368 /nfs/dbraw/zinc/76/73/68/516767368.db2.gz APGPHQDZUHGLEZ-NSHDSACASA-N 1 0 363.867 2.647 20 5 FFBDRO C[C@@H](c1ccccc1)[NH+]1CCC(Nc2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000558598248 516828287 /nfs/dbraw/zinc/82/82/87/516828287.db2.gz DNLNCUDPWSBNBD-ZDUSSCGKSA-N 1 0 369.425 2.726 20 5 FFBDRO CC(C)C[NH+]1CCN(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000558642092 516854143 /nfs/dbraw/zinc/85/41/43/516854143.db2.gz UVJFYGSZMWCDIG-UHFFFAOYSA-N 1 0 373.457 2.602 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1C[C@H](OCC)[C@]12CCCO2 ZINC000544710949 516890682 /nfs/dbraw/zinc/89/06/82/516890682.db2.gz WIVNCUBVAKOTDB-SQNIBIBYSA-N 1 0 350.415 2.810 20 5 FFBDRO COc1cc(C(=O)NCC(C)(C)[NH+]2CCCCC2)cc([N+](=O)[O-])c1OC ZINC000525009675 516895855 /nfs/dbraw/zinc/89/58/55/516895855.db2.gz CVRCHKGFAAWKCI-UHFFFAOYSA-N 1 0 365.430 2.606 20 5 FFBDRO COCC[C@@H](COC)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000562080506 516910231 /nfs/dbraw/zinc/91/02/31/516910231.db2.gz CZGZMTDAHVBTHN-ZDUSSCGKSA-N 1 0 351.428 2.859 20 5 FFBDRO C[NH+](C)[C@@H](CNC(=O)NCCc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000514223459 516911959 /nfs/dbraw/zinc/91/19/59/516911959.db2.gz YCXOQYVQYAFTQT-SFHVURJKSA-N 1 0 362.474 2.947 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000525105568 516917081 /nfs/dbraw/zinc/91/70/81/516917081.db2.gz IYQRQKQRTFHKTD-MDZLAQPJSA-N 1 0 355.822 2.614 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000541314436 516982717 /nfs/dbraw/zinc/98/27/17/516982717.db2.gz FNWUOFVLXCSKGH-OKILXGFUSA-N 1 0 364.446 2.666 20 5 FFBDRO C[NH+](C)CCOc1cc(-c2noc(-c3ccc(F)cc3[N+](=O)[O-])n2)ccn1 ZINC000545070188 517040430 /nfs/dbraw/zinc/04/04/30/517040430.db2.gz LANYHUZMTYIYDA-UHFFFAOYSA-N 1 0 373.344 2.786 20 5 FFBDRO C[C@@H](NC(=O)[C@@H]1CN(Cc2ccccc2)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000525454598 517045190 /nfs/dbraw/zinc/04/51/90/517045190.db2.gz JREOXJYWGZABQM-BEFAXECRSA-N 1 0 369.421 2.673 20 5 FFBDRO COc1cc(C(=O)N2CCCC[C@@H]2CC[NH3+])c([N+](=O)[O-])cc1OC(F)F ZINC000519596819 517069566 /nfs/dbraw/zinc/06/95/66/517069566.db2.gz LSOBLNVTJXDFIZ-SNVBAGLBSA-N 1 0 373.356 2.548 20 5 FFBDRO O=C1[C@@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000519614210 517079442 /nfs/dbraw/zinc/07/94/42/517079442.db2.gz NOYWZTJZFXHSHI-MSOLQXFVSA-N 1 0 351.406 2.973 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000548615128 517089504 /nfs/dbraw/zinc/08/95/04/517089504.db2.gz JVVAJCIRUDVFST-MRXNPFEDSA-N 1 0 355.442 2.921 20 5 FFBDRO C[C@@H]([NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C1CCCCCC1 ZINC000541564636 517113805 /nfs/dbraw/zinc/11/38/05/517113805.db2.gz ANXKFIXFHNAYTC-CQSZACIVSA-N 1 0 369.487 2.822 20 5 FFBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000532900624 517193651 /nfs/dbraw/zinc/19/36/51/517193651.db2.gz JKDNAZAJLHQXNX-NSHDSACASA-N 1 0 370.247 2.817 20 5 FFBDRO CN(C)C[C@H](Cc1ccccc1)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000548761611 517197146 /nfs/dbraw/zinc/19/71/46/517197146.db2.gz YNDFRTHAIZACST-KRWDZBQOSA-N 1 0 370.453 2.686 20 5 FFBDRO COC1CC[NH+](C(C)(C)CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000541831824 517237440 /nfs/dbraw/zinc/23/74/40/517237440.db2.gz DDFLAGVFOHQMRZ-UHFFFAOYSA-N 1 0 368.409 2.745 20 5 FFBDRO C[C@H](CNC(=O)NCCOc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC[C@H]1C ZINC000520264883 517324931 /nfs/dbraw/zinc/32/49/31/517324931.db2.gz BPVXPQAVXJYHPG-HUUCEWRRSA-N 1 0 364.446 2.536 20 5 FFBDRO Cc1ncc([N+](=O)[O-])cc1-c1nc(-c2cccc(OCC[NH+](C)C)c2)no1 ZINC000545693702 517334336 /nfs/dbraw/zinc/33/43/36/517334336.db2.gz BKOWGEJSKUJXAJ-UHFFFAOYSA-N 1 0 369.381 2.956 20 5 FFBDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000537825510 517363565 /nfs/dbraw/zinc/36/35/65/517363565.db2.gz USPXUNHUTAEPOP-VXGBXAGGSA-N 1 0 355.822 2.568 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C[C@@H](C)OC)C(C)C ZINC000533295908 517392011 /nfs/dbraw/zinc/39/20/11/517392011.db2.gz NIADGSIRFWKSDX-CYBMUJFWSA-N 1 0 353.419 2.677 20 5 FFBDRO COCCN1CC[C@@H](Nc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])C1 ZINC000520755801 517499320 /nfs/dbraw/zinc/49/93/20/517499320.db2.gz ADWPQIAMPXXJCU-QGZVFWFLSA-N 1 0 369.421 2.958 20 5 FFBDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000520760070 517502774 /nfs/dbraw/zinc/50/27/74/517502774.db2.gz KSYTXNIOIUORNK-GASCZTMLSA-N 1 0 371.441 2.773 20 5 FFBDRO COc1ccc(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1Cl ZINC000520797958 517515769 /nfs/dbraw/zinc/51/57/69/517515769.db2.gz MFSCHKHREJQEIZ-CYBMUJFWSA-N 1 0 366.801 2.786 20 5 FFBDRO COc1ccc2c(c1)OC[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000562990946 517564069 /nfs/dbraw/zinc/56/40/69/517564069.db2.gz ITMDSOLOYOGDJM-AWEZNQCLSA-N 1 0 371.393 2.525 20 5 FFBDRO [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[nH][nH]1 ZINC000563062992 517625265 /nfs/dbraw/zinc/62/52/65/517625265.db2.gz KNCSWTLTHAIYMJ-LSDHHAIUSA-N 1 0 357.414 2.643 20 5 FFBDRO CC[C@@H]([NH3+])CNC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000563118596 517671362 /nfs/dbraw/zinc/67/13/62/517671362.db2.gz DGGJNRZXNPSHEQ-TZMCWYRMSA-N 1 0 357.414 2.630 20 5 FFBDRO Cc1cc(-c2nc(-c3ccnc(OCC[NH+](C)C)c3)no2)cc([N+](=O)[O-])c1 ZINC000546463324 517688721 /nfs/dbraw/zinc/68/87/21/517688721.db2.gz YHSLPAZQZFJRHY-UHFFFAOYSA-N 1 0 369.381 2.956 20 5 FFBDRO Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000563153418 517697122 /nfs/dbraw/zinc/69/71/22/517697122.db2.gz SFANKEZDIDAYAM-IBGZPJMESA-N 1 0 368.437 2.878 20 5 FFBDRO CS[C@H]1CN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C[C@H]1[NH+](C)C ZINC000546549689 517720788 /nfs/dbraw/zinc/72/07/88/517720788.db2.gz MMHRVFLSTVJZLW-CABCVRRESA-N 1 0 369.462 2.516 20 5 FFBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CC(=O)N(C)[C@H]2c2nccn2C)cc1[N+](=O)[O-] ZINC000560357569 517727268 /nfs/dbraw/zinc/72/72/68/517727268.db2.gz AQFLBWSLZLHJDR-QIIPPGSGSA-N 1 0 371.441 2.507 20 5 FFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]Cc2ccc(-n3cncn3)cc2)n1 ZINC000521560874 517774885 /nfs/dbraw/zinc/77/48/85/517774885.db2.gz SRXPDKCVSLKDGW-IRXDYDNUSA-N 1 0 367.413 2.646 20 5 FFBDRO CS(=O)(=O)Cc1ccc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000521643778 517810862 /nfs/dbraw/zinc/81/08/62/517810862.db2.gz OLLKYMZCBCIISA-QGZVFWFLSA-N 1 0 360.435 2.917 20 5 FFBDRO C[C@@H](CNC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)C[NH+]1CCCC1 ZINC000516806957 517850363 /nfs/dbraw/zinc/85/03/63/517850363.db2.gz XRSOLXUUHAGIQB-AWEZNQCLSA-N 1 0 373.457 2.650 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCC2(C[NH+](C)C)CCCC2)cc1C ZINC000546779568 517854685 /nfs/dbraw/zinc/85/46/85/517854685.db2.gz CCUIVGHYJQOKIQ-UHFFFAOYSA-N 1 0 369.487 2.612 20 5 FFBDRO CCc1ccc(S(=O)(=O)N(CC[NH+](C)C)C2CCCC2)cc1[N+](=O)[O-] ZINC000521868787 517880651 /nfs/dbraw/zinc/88/06/51/517880651.db2.gz PXEMBZBHSZZGJJ-UHFFFAOYSA-N 1 0 369.487 2.652 20 5 FFBDRO COc1ccccc1N1CC[C@@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1=O ZINC000516878063 517888749 /nfs/dbraw/zinc/88/87/49/517888749.db2.gz WEUIJRCWWROQCG-JKSUJKDBSA-N 1 0 367.405 2.986 20 5 FFBDRO C[C@@H](Cn1cc(Br)cn1)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000539068914 517902353 /nfs/dbraw/zinc/90/23/53/517902353.db2.gz IIVQMDJJPCGYJK-NSHDSACASA-N 1 0 369.219 2.611 20 5 FFBDRO COCC1(C)CC[NH+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1 ZINC000539099305 517911579 /nfs/dbraw/zinc/91/15/79/517911579.db2.gz YLJLBYGDSPIHQT-UHFFFAOYSA-N 1 0 363.414 2.641 20 5 FFBDRO CC[NH+]1CCC(CNc2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)CC1 ZINC000516981671 517958988 /nfs/dbraw/zinc/95/89/88/517958988.db2.gz VALDMPWQULEVDC-UHFFFAOYSA-N 1 0 366.437 2.714 20 5 FFBDRO CC[NH+](CC)CCO[C@H]1CCN(Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000530866809 518021059 /nfs/dbraw/zinc/02/10/59/518021059.db2.gz HCPUMRQSPPDSBY-INIZCTEOSA-N 1 0 351.447 2.536 20 5 FFBDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000522195068 518028422 /nfs/dbraw/zinc/02/84/22/518028422.db2.gz QHRYYAZPEVCTMS-AWEZNQCLSA-N 1 0 359.430 2.856 20 5 FFBDRO CS[C@@H]1CN(C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)C[C@@H]1[NH+](C)C ZINC000534827656 518047432 /nfs/dbraw/zinc/04/74/32/518047432.db2.gz GEEJJVZARFTBFM-BYCMXARLSA-N 1 0 369.512 2.579 20 5 FFBDRO CCN1CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)[C@@H](C)C1 ZINC000557525768 518053372 /nfs/dbraw/zinc/05/33/72/518053372.db2.gz NFLLILMJUYBBHU-INIZCTEOSA-N 1 0 363.461 2.707 20 5 FFBDRO CCN1CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)[C@H](C)C1 ZINC000557525769 518054112 /nfs/dbraw/zinc/05/41/12/518054112.db2.gz NFLLILMJUYBBHU-MRXNPFEDSA-N 1 0 363.461 2.707 20 5 FFBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCCCS2(=O)=O)cc1[N+](=O)[O-] ZINC000543428641 518085638 /nfs/dbraw/zinc/08/56/38/518085638.db2.gz BVIWOYPUPZHZGS-JSGCOSHPSA-N 1 0 356.444 2.611 20 5 FFBDRO CN1Cc2ccccc2[C@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000534996025 518111947 /nfs/dbraw/zinc/11/19/47/518111947.db2.gz JYIQSPWLHBDZSX-MRXNPFEDSA-N 1 0 350.378 2.993 20 5 FFBDRO C[N@H+](CCCN1C(=O)c2ccccc2C1=O)CCc1cccc([N+](=O)[O-])c1 ZINC000517330521 518120364 /nfs/dbraw/zinc/12/03/64/518120364.db2.gz MFGZODTXTPJROC-UHFFFAOYSA-N 1 0 367.405 2.755 20 5 FFBDRO CN(C(=O)c1cc([N+](=O)[O-])cn1C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000531062788 518122691 /nfs/dbraw/zinc/12/26/91/518122691.db2.gz IBDLHLXCWCBLCY-MRXNPFEDSA-N 1 0 356.426 2.670 20 5 FFBDRO C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])c2ccccc2O1 ZINC000563805354 518133083 /nfs/dbraw/zinc/13/30/83/518133083.db2.gz FEJXJRORJIIJCJ-IIAWOOMASA-N 1 0 358.394 2.836 20 5 FFBDRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000517411319 518142135 /nfs/dbraw/zinc/14/21/35/518142135.db2.gz ZXCLYMFWDQWRAX-GJZGRUSLSA-N 1 0 363.462 2.569 20 5 FFBDRO COc1cc(CNCC[N@@H+]2CC[C@@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000539813153 518166443 /nfs/dbraw/zinc/16/64/43/518166443.db2.gz DKXGSDDIPBSIHL-GFCCVEGCSA-N 1 0 373.400 2.679 20 5 FFBDRO C[NH+](C)CCOC1CCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000539832282 518169775 /nfs/dbraw/zinc/16/97/75/518169775.db2.gz NZGDQCAVUCUQKS-UHFFFAOYSA-N 1 0 373.400 2.739 20 5 FFBDRO C[C@@H]1CCCC[C@H]1OCC[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000572558152 518246496 /nfs/dbraw/zinc/24/64/96/518246496.db2.gz UEMSMAFADJRGEH-HLLBOEOZSA-N 1 0 352.431 2.519 20 5 FFBDRO CCO[C@@H]1C[C@H]([NH2+]CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C12CCCC2 ZINC000581396718 518264096 /nfs/dbraw/zinc/26/40/96/518264096.db2.gz QRMADWKUKNEAJT-ZWKOTPCHSA-N 1 0 373.453 2.811 20 5 FFBDRO CCO[C@H]1C[C@@H]([NH2+]CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C12CCCC2 ZINC000581396715 518264133 /nfs/dbraw/zinc/26/41/33/518264133.db2.gz QRMADWKUKNEAJT-MSOLQXFVSA-N 1 0 373.453 2.811 20 5 FFBDRO C[C@H]1[C@@H](NC(=O)COc2ccccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000564003674 518265622 /nfs/dbraw/zinc/26/56/22/518265622.db2.gz UFEAVOLNFZVPMV-RDJZCZTQSA-N 1 0 369.421 2.753 20 5 FFBDRO C[NH+](C)CCN(Cc1ccccn1)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000566924559 518267150 /nfs/dbraw/zinc/26/71/50/518267150.db2.gz WNIOSUCAJKRLBN-UHFFFAOYSA-N 1 0 350.369 2.832 20 5 FFBDRO CN1CCO[C@@H]2CC[N@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)C[C@@H]21 ZINC000581479438 518306148 /nfs/dbraw/zinc/30/61/48/518306148.db2.gz ADLHUQMYTHZCRW-PKOBYXMFSA-N 1 0 357.410 2.760 20 5 FFBDRO CCC[N@H+](CC)C[C@H](C)NS(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000575910315 518340355 /nfs/dbraw/zinc/34/03/55/518340355.db2.gz QTOCFGDPKKUOJC-ZDUSSCGKSA-N 1 0 357.476 2.610 20 5 FFBDRO CC(C)(C)[C@@H]1C[C@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000572870679 518400745 /nfs/dbraw/zinc/40/07/45/518400745.db2.gz YPRKOQDLIRJWQM-CPUCHLNUSA-N 1 0 352.431 2.518 20 5 FFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000584690316 518430280 /nfs/dbraw/zinc/43/02/80/518430280.db2.gz FYDKUQNCDQBKED-INIZCTEOSA-N 1 0 352.460 2.716 20 5 FFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CO)C1CCOCC1 ZINC000581845088 518464621 /nfs/dbraw/zinc/46/46/21/518464621.db2.gz LFIGEJTVHPXTDR-CABCVRRESA-N 1 0 354.472 2.843 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(C[NH2+][C@@H]2CCCC[C@H]2N2CCOCC2)c(F)c1 ZINC000584770935 518470369 /nfs/dbraw/zinc/47/03/69/518470369.db2.gz MUCRLUFRDFVLLO-IAGOWNOFSA-N 1 0 355.385 2.606 20 5 FFBDRO CC(C)[C@@H](O)C[NH+]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000578996834 518472258 /nfs/dbraw/zinc/47/22/58/518472258.db2.gz RBRQPMBZDORQIK-HNNXBMFYSA-N 1 0 361.364 2.753 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CC2(c3ccccc3)CCCCC2)c1 ZINC000567554226 518580815 /nfs/dbraw/zinc/58/08/15/518580815.db2.gz GEOXGNVMOMLRFS-GOSISDBHSA-N 1 0 358.442 2.644 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCc3ccccc3[C@H]2C[NH3+])c1 ZINC000579246908 518590713 /nfs/dbraw/zinc/59/07/13/518590713.db2.gz MRRSQYOKRFRHAL-GOSISDBHSA-N 1 0 355.394 2.692 20 5 FFBDRO COc1cccc(N2C[C@@H]([NH2+][C@@H]3CCc4c3cccc4[N+](=O)[O-])CC2=O)c1 ZINC000576480647 518613729 /nfs/dbraw/zinc/61/37/29/518613729.db2.gz ZIIILYSTCKNVTD-SCLBCKFNSA-N 1 0 367.405 2.986 20 5 FFBDRO COc1cccc(N2C[C@@H]([NH2+][C@H]3CCc4c3cccc4[N+](=O)[O-])CC2=O)c1 ZINC000576480686 518613911 /nfs/dbraw/zinc/61/39/11/518613911.db2.gz ZIIILYSTCKNVTD-UGSOOPFHSA-N 1 0 367.405 2.986 20 5 FFBDRO COc1ccc(C[NH2+]C[C@H](O)COc2cccc3[nH]ccc32)cc1[N+](=O)[O-] ZINC000567661754 518638520 /nfs/dbraw/zinc/63/85/20/518638520.db2.gz DBKYYPHBALNKMD-AWEZNQCLSA-N 1 0 371.393 2.614 20 5 FFBDRO CC[NH+]1CCC(CNC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000579422292 518670354 /nfs/dbraw/zinc/67/03/54/518670354.db2.gz RXMKRWOHQJWATR-UHFFFAOYSA-N 1 0 354.838 2.779 20 5 FFBDRO COc1ccc(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000567725909 518678700 /nfs/dbraw/zinc/67/87/00/518678700.db2.gz OHJUXLUGJAFBDO-UHFFFAOYSA-N 1 0 359.382 2.730 20 5 FFBDRO C[C@H](CNC(=O)N(C)CCc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000570591086 518682318 /nfs/dbraw/zinc/68/23/18/518682318.db2.gz DQVRRWMYTQQORM-HZPDHXFCSA-N 1 0 362.474 2.899 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C2CC(OCc3ccccc3)C2)c1 ZINC000573480790 518687284 /nfs/dbraw/zinc/68/72/84/518687284.db2.gz SOIXSXVWEZZLKY-IPCDKGFNSA-N 1 0 372.421 2.672 20 5 FFBDRO CC(C)[NH+](CCCNc1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C)C(C)C ZINC000587989583 518692750 /nfs/dbraw/zinc/69/27/50/518692750.db2.gz WMQMSISUJWIDDT-UHFFFAOYSA-N 1 0 363.462 2.706 20 5 FFBDRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000564948357 518709750 /nfs/dbraw/zinc/70/97/50/518709750.db2.gz FFTFXRVEQVWOBI-QFYYESIMSA-N 1 0 371.387 2.687 20 5 FFBDRO C[C@@H](CNC(=O)N(C)CCc1ccccc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000588159363 518738430 /nfs/dbraw/zinc/73/84/30/518738430.db2.gz QNRUANDCJXPYPV-INIZCTEOSA-N 1 0 362.474 2.899 20 5 FFBDRO C[NH+](C)C[C@H](CNC(=O)c1ccc([N+](=O)[O-])[nH]1)c1ccc(Cl)cc1 ZINC000565087807 518780729 /nfs/dbraw/zinc/78/07/29/518780729.db2.gz DTWJZVQCSZQNDM-LBPRGKRZSA-N 1 0 350.806 2.652 20 5 FFBDRO CCC(CC)[C@@H]1C[C@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000570795302 518784279 /nfs/dbraw/zinc/78/42/79/518784279.db2.gz WHPHGSBEIXPVJD-GJYPPUQNSA-N 1 0 366.458 2.908 20 5 FFBDRO C[C@@H]1C[C@H](C)N(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000579823984 518872807 /nfs/dbraw/zinc/87/28/07/518872807.db2.gz RQRVXMGECLMRQK-OUAUKWLOSA-N 1 0 370.247 2.803 20 5 FFBDRO C[C@H](C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(C(F)(F)F)cc1 ZINC000582780661 518919002 /nfs/dbraw/zinc/91/90/02/518919002.db2.gz ASKMBUOWJZTKLC-ABAIWWIYSA-N 1 0 372.347 2.564 20 5 FFBDRO Cc1c(Cl)cccc1N1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000574025643 518951192 /nfs/dbraw/zinc/95/11/92/518951192.db2.gz MYCQSAWAPMSVMV-UHFFFAOYSA-N 1 0 363.849 2.965 20 5 FFBDRO CC(=O)N1CC[C@H](C[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000582859445 518958099 /nfs/dbraw/zinc/95/80/99/518958099.db2.gz LPHKWEDSXWVGKW-GFCCVEGCSA-N 1 0 359.348 2.914 20 5 FFBDRO CC(C)c1nnc2n1C[C@H]([NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)CC2 ZINC000580033228 518970322 /nfs/dbraw/zinc/97/03/22/518970322.db2.gz DVSJUFWYIFIFKB-QLFBSQMISA-N 1 0 373.461 2.595 20 5 FFBDRO CSC1(CNC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)CC[NH+](C)CC1 ZINC000589476625 519013242 /nfs/dbraw/zinc/01/32/42/519013242.db2.gz IMQOACFYLAVAHU-LBPRGKRZSA-N 1 0 369.462 2.781 20 5 FFBDRO O=C(CC[NH2+]CCN1CCc2ccccc2C1)Nc1ccccc1[N+](=O)[O-] ZINC000577389567 519057262 /nfs/dbraw/zinc/05/72/62/519057262.db2.gz DMFFEXFXYRTJCR-UHFFFAOYSA-N 1 0 368.437 2.571 20 5 FFBDRO Cc1ccc(C[C@H](C)[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)s1 ZINC000568502569 519072815 /nfs/dbraw/zinc/07/28/15/519072815.db2.gz WBNIOHZMJWRYLT-SWLSCSKDSA-N 1 0 350.440 2.925 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@@H]2CCCC[C@H]2c2ccccc2)c1 ZINC000577503038 519114356 /nfs/dbraw/zinc/11/43/56/519114356.db2.gz JVYRYCABBJYQRE-UHOSZYNNSA-N 1 0 358.442 2.716 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@H]2CCCC[C@@H]2c2ccccc2)c1 ZINC000577503035 519114390 /nfs/dbraw/zinc/11/43/90/519114390.db2.gz JVYRYCABBJYQRE-BHIYHBOVSA-N 1 0 358.442 2.716 20 5 FFBDRO COC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000590049297 519136383 /nfs/dbraw/zinc/13/63/83/519136383.db2.gz BSPGCOYBXNANFI-VSNBLRCJSA-N 1 0 374.437 2.898 20 5 FFBDRO COc1ccc(-c2ccc(CN3CC[C@@H]4C[N@H+](C)C[C@H]43)o2)c([N+](=O)[O-])c1 ZINC000590052742 519138467 /nfs/dbraw/zinc/13/84/67/519138467.db2.gz KENXLDSQUBEHBK-FZKQIMNGSA-N 1 0 357.410 2.999 20 5 FFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@@H](O)CN1CCc2ccccc2C1 ZINC000568663994 519154492 /nfs/dbraw/zinc/15/44/92/519154492.db2.gz JPVSIIUWPWZNPC-YLJYHZDGSA-N 1 0 367.449 2.591 20 5 FFBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1n1cccn1 ZINC000590196268 519171716 /nfs/dbraw/zinc/17/17/16/519171716.db2.gz IKFLNBAQCFRMBD-OAGGEKHMSA-N 1 0 350.806 2.953 20 5 FFBDRO C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000590386531 519212314 /nfs/dbraw/zinc/21/23/14/519212314.db2.gz ATDZRQUJBNKZMG-GFCCVEGCSA-N 1 0 367.833 2.574 20 5 FFBDRO CCSc1cc(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])ccn1 ZINC000583377332 519216856 /nfs/dbraw/zinc/21/68/56/519216856.db2.gz PJZXBJHPZQJLTC-CQSZACIVSA-N 1 0 363.439 2.631 20 5 FFBDRO Cc1ccccc1C1(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCCCC1 ZINC000574565606 519220835 /nfs/dbraw/zinc/22/08/35/519220835.db2.gz XMOCMVJDBRQOBN-GOSISDBHSA-N 1 0 372.469 2.952 20 5 FFBDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000568879865 519265215 /nfs/dbraw/zinc/26/52/15/519265215.db2.gz SFLDXRODHOIKQY-QGHHPUGFSA-N 1 0 371.387 2.687 20 5 FFBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000590567158 519268609 /nfs/dbraw/zinc/26/86/09/519268609.db2.gz YQUORVRUPDSOIY-IAQYHMDHSA-N 1 0 360.439 2.883 20 5 FFBDRO COc1cccc2c1CC[C@@H]2[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000566115802 519311421 /nfs/dbraw/zinc/31/14/21/519311421.db2.gz SITWLDYSXKJYKD-BBRMVZONSA-N 1 0 358.394 2.620 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CCc2ccccc2Cl)c1 ZINC000583626561 519348786 /nfs/dbraw/zinc/34/87/86/519348786.db2.gz WMYGAHGZDMFGRM-OAHLLOKOSA-N 1 0 350.802 2.820 20 5 FFBDRO CC(C)Oc1ccc([C@@H](CNc2ncc([N+](=O)[O-])s2)[NH+](C)C)cc1 ZINC000574884231 519384204 /nfs/dbraw/zinc/38/42/04/519384204.db2.gz HRJROJSVJLHDHZ-CQSZACIVSA-N 1 0 350.444 2.975 20 5 FFBDRO CCc1ccc(S(=O)(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000580891102 519411900 /nfs/dbraw/zinc/41/19/00/519411900.db2.gz RVRHIITUFWVOPS-OAHLLOKOSA-N 1 0 369.487 2.652 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CC[C@@H]1CCc2ccccc2N1 ZINC000583748317 519414091 /nfs/dbraw/zinc/41/40/91/519414091.db2.gz YNTGDZFQIYIXAG-IRXDYDNUSA-N 1 0 371.437 2.741 20 5 FFBDRO CCc1cc(NC2(C[NH+](C)C)CCC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000572152999 519471019 /nfs/dbraw/zinc/47/10/19/519471019.db2.gz XSTJXXQFFICYFO-UHFFFAOYSA-N 1 0 355.442 2.932 20 5 FFBDRO CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000569374934 519519488 /nfs/dbraw/zinc/51/94/88/519519488.db2.gz YXGKZZYTEVOMOA-MRXNPFEDSA-N 1 0 358.442 2.951 20 5 FFBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H]1CN(c2ccccc2)CCO1 ZINC000584061113 519571292 /nfs/dbraw/zinc/57/12/92/519571292.db2.gz AXZVEDLVPAYKKR-LJQANCHMSA-N 1 0 355.438 2.975 20 5 FFBDRO COc1cc(CN[C@H](C)C[C@H](C)[NH3+])c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000566620095 519581787 /nfs/dbraw/zinc/58/17/87/519581787.db2.gz MCQSNKSMSPQZFR-VHSXEESVSA-N 1 0 365.352 2.760 20 5 FFBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000591310673 519586023 /nfs/dbraw/zinc/58/60/23/519586023.db2.gz ATQJORJCEXMRBR-UHFFFAOYSA-N 1 0 369.425 2.780 20 5 FFBDRO O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000591439050 519625008 /nfs/dbraw/zinc/62/50/08/519625008.db2.gz RLPXVQBDWLJGRY-BDAKNGLRSA-N 1 0 366.290 2.832 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000591451115 519627601 /nfs/dbraw/zinc/62/76/01/519627601.db2.gz OXDGZPRQUATPAJ-CVEARBPZSA-N 1 0 367.471 2.507 20 5 FFBDRO Cc1ccccc1C[N@@H+]1CCCN(c2c(C(N)=O)cccc2[N+](=O)[O-])CC1 ZINC000591459181 519629203 /nfs/dbraw/zinc/62/92/03/519629203.db2.gz PVSSDUMALAALIF-UHFFFAOYSA-N 1 0 368.437 2.714 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000591529056 519939641 /nfs/dbraw/zinc/93/96/41/519939641.db2.gz NVVOVFQJYJIUOC-INIZCTEOSA-N 1 0 361.442 2.539 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H]1CC[C@@H]([NH+]2CCN(C)CC2)CC1 ZINC000591533915 519940517 /nfs/dbraw/zinc/94/05/17/519940517.db2.gz SPNYRMUAZAYIJR-CALCHBBNSA-N 1 0 374.485 2.500 20 5 FFBDRO C[N@@H+]1CCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C(C)(C)C ZINC000602874770 519941568 /nfs/dbraw/zinc/94/15/68/519941568.db2.gz UABWTCUHCJXNSR-OAHLLOKOSA-N 1 0 368.865 2.849 20 5 FFBDRO O=C(N[C@H]1CC[NH2+]C12CCC2)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000599928516 519955798 /nfs/dbraw/zinc/95/57/98/519955798.db2.gz NWZGFEOYJUTGKC-RDJZCZTQSA-N 1 0 358.442 2.768 20 5 FFBDRO O=C(N[C@@H]1CC[NH2+]C12CCC2)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000599928513 519956294 /nfs/dbraw/zinc/95/62/94/519956294.db2.gz NWZGFEOYJUTGKC-DOTOQJQBSA-N 1 0 358.442 2.768 20 5 FFBDRO Cn1ccnc1[C@H](N[C@H]1CC[NH2+]C2(CCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000591582648 519958401 /nfs/dbraw/zinc/95/84/01/519958401.db2.gz RSVXBLFLDZWXGF-DOTOQJQBSA-N 1 0 355.442 2.682 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](CO)c1cccc(Cl)c1Cl ZINC000602904354 519963305 /nfs/dbraw/zinc/96/33/05/519963305.db2.gz WQRHCPLCZYLVPV-LBPRGKRZSA-N 1 0 359.213 2.730 20 5 FFBDRO Cc1ccc(C)c(S(=O)(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000594484097 519992615 /nfs/dbraw/zinc/99/26/15/519992615.db2.gz SAJZTWDXWISUML-HUUCEWRRSA-N 1 0 367.471 2.507 20 5 FFBDRO O=C(CC[NH2+]CCN1Cc2ccccc2C1)Nc1ccccc1[N+](=O)[O-] ZINC000591728556 520013911 /nfs/dbraw/zinc/01/39/11/520013911.db2.gz SOZPGUUYRFAJTA-UHFFFAOYSA-N 1 0 354.410 2.529 20 5 FFBDRO C[C@@]1(c2ccccc2)C[C@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000591744336 520018750 /nfs/dbraw/zinc/01/87/50/520018750.db2.gz VAHSUEVNNBPHDM-MSOLQXFVSA-N 1 0 360.435 2.688 20 5 FFBDRO C[C@]1(c2ccccc2)C[C@@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000591744339 520018788 /nfs/dbraw/zinc/01/87/88/520018788.db2.gz VAHSUEVNNBPHDM-ZWKOTPCHSA-N 1 0 360.435 2.688 20 5 FFBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@H]2CCCN3CCCC[C@@H]23)cccc1[N+](=O)[O-] ZINC000594551509 520023119 /nfs/dbraw/zinc/02/31/19/520023119.db2.gz FLTBQCAUUYHFLJ-ZVZYQTTQSA-N 1 0 360.458 2.837 20 5 FFBDRO COc1cc(C[NH2+][C@H]2CO[C@@H](C3CC3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000600205851 520123967 /nfs/dbraw/zinc/12/39/67/520123967.db2.gz AVRQOKGHIKOYRW-TZMCWYRMSA-N 1 0 372.368 2.904 20 5 FFBDRO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000600228467 520140882 /nfs/dbraw/zinc/14/08/82/520140882.db2.gz AYOSVGPIIUHGBZ-ZDUSSCGKSA-N 1 0 367.396 2.939 20 5 FFBDRO CCN(Cc1ccc(C[NH+](C)C)cc1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000609029810 520180196 /nfs/dbraw/zinc/18/01/96/520180196.db2.gz GQTGTDKSORXGEB-UHFFFAOYSA-N 1 0 370.453 2.777 20 5 FFBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000597701622 520186653 /nfs/dbraw/zinc/18/66/53/520186653.db2.gz VHCAWRBYEBJWCH-RNCFNFMXSA-N 1 0 356.220 2.522 20 5 FFBDRO COc1ccccc1C1([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000592144748 520220928 /nfs/dbraw/zinc/22/09/28/520220928.db2.gz MEIXUNKQQAHBFV-CQSZACIVSA-N 1 0 358.394 2.622 20 5 FFBDRO COCC(=O)N1CCC([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000609222746 520236915 /nfs/dbraw/zinc/23/69/15/520236915.db2.gz GKFAZNIEIYCPHO-UHFFFAOYSA-N 1 0 373.409 2.582 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+]CC[C@@]2(C)CC2(F)F)cc1[N+](=O)[O-] ZINC000594978896 520240284 /nfs/dbraw/zinc/24/02/84/520240284.db2.gz YLVIUNIZJPKWRF-HNNXBMFYSA-N 1 0 358.341 2.672 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+]CC[C@]2(C)CC2(F)F)cc1[N+](=O)[O-] ZINC000594978898 520240724 /nfs/dbraw/zinc/24/07/24/520240724.db2.gz YLVIUNIZJPKWRF-OAHLLOKOSA-N 1 0 358.341 2.672 20 5 FFBDRO COc1cc(C[NH2+][C@@H]2C[C@@H](O)C23CCC3)c([N+](=O)[O-])cc1OC(F)F ZINC000594987106 520244389 /nfs/dbraw/zinc/24/43/89/520244389.db2.gz IRDVLHBOUMMFQE-ZIAGYGMSSA-N 1 0 358.341 2.598 20 5 FFBDRO COc1cc(C[NH2+]C[C@H](O)[C@@H](C)c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000595000867 520251186 /nfs/dbraw/zinc/25/11/86/520251186.db2.gz ODXMOMVTVMLSHC-GUYCJALGSA-N 1 0 360.410 2.866 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+]Cc2cccc(OC)c2C)cc1[N+](=O)[O-] ZINC000594999184 520251337 /nfs/dbraw/zinc/25/13/37/520251337.db2.gz PLYZZDXCLDUKNI-UHFFFAOYSA-N 1 0 374.393 2.753 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000595048850 520270024 /nfs/dbraw/zinc/27/00/24/520270024.db2.gz RQAZIEOAYOASLM-CABCVRRESA-N 1 0 351.447 2.755 20 5 FFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCC[C@@H]([S@@](C)=O)C1 ZINC000595059613 520274531 /nfs/dbraw/zinc/27/45/31/520274531.db2.gz FRMKOPHRZDIPSQ-ZLHYLOAGSA-N 1 0 367.471 2.591 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000597861702 520289298 /nfs/dbraw/zinc/28/92/98/520289298.db2.gz VRCWMCMZMRWYPT-AWEZNQCLSA-N 1 0 361.442 2.794 20 5 FFBDRO CC[N@@H+]1CC[C@H](CNC(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC000609357609 520294801 /nfs/dbraw/zinc/29/48/01/520294801.db2.gz OVQHRLLIASNIHG-HZPDHXFCSA-N 1 0 374.485 2.903 20 5 FFBDRO CC(C)[NH2+][C@H]1CCCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000609386601 520300089 /nfs/dbraw/zinc/30/00/89/520300089.db2.gz YJLBNMQDAISGCF-LBPRGKRZSA-N 1 0 354.838 2.649 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000597925878 520326334 /nfs/dbraw/zinc/32/63/34/520326334.db2.gz XPVVBJRJTDAJIZ-LLVKDONJSA-N 1 0 370.247 2.960 20 5 FFBDRO COc1ccc(CNC(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)cc1[N+](=O)[O-] ZINC000595250457 520370697 /nfs/dbraw/zinc/37/06/97/520370697.db2.gz SQKNHHKYDVAMGA-INIZCTEOSA-N 1 0 369.421 2.912 20 5 FFBDRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)c2cc(F)cc([N+](=O)[O-])c2)cc1 ZINC000595256791 520374995 /nfs/dbraw/zinc/37/49/95/520374995.db2.gz SHHFVASEAKXYKY-ROUUACIJSA-N 1 0 373.384 2.618 20 5 FFBDRO CCC1([NH+]2CCOCC2)CCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2)CC1 ZINC000600680927 520393501 /nfs/dbraw/zinc/39/35/01/520393501.db2.gz BPKAQLFWORVIKO-UHFFFAOYSA-N 1 0 361.442 2.620 20 5 FFBDRO CCC1([NH+]2CCOCC2)CCN(C(=O)c2cc([N+](=O)[O-])c(C)s2)CC1 ZINC000600683677 520394719 /nfs/dbraw/zinc/39/47/19/520394719.db2.gz UEWXOAHNSXCJTJ-UHFFFAOYSA-N 1 0 367.471 2.682 20 5 FFBDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000604044724 520437405 /nfs/dbraw/zinc/43/74/05/520437405.db2.gz LDHCQMAAYUEBLJ-HNNXBMFYSA-N 1 0 371.441 2.775 20 5 FFBDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000604044728 520437511 /nfs/dbraw/zinc/43/75/11/520437511.db2.gz LDHCQMAAYUEBLJ-OAHLLOKOSA-N 1 0 371.441 2.775 20 5 FFBDRO CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000592525606 520440311 /nfs/dbraw/zinc/44/03/11/520440311.db2.gz AUBDQKHSCBLPBM-LJEUOOAZSA-N 1 0 371.359 2.999 20 5 FFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592554176 520452990 /nfs/dbraw/zinc/45/29/90/520452990.db2.gz GKTLVVIVYTXKLW-CABCVRRESA-N 1 0 361.442 2.845 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC000592571393 520459976 /nfs/dbraw/zinc/45/99/76/520459976.db2.gz ZDZHOZZKTWPUHX-ABAIWWIYSA-N 1 0 367.833 2.806 20 5 FFBDRO CCOCCC[N@@H+]1CC[C@@H](NCc2ccc(F)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000595439690 520471944 /nfs/dbraw/zinc/47/19/44/520471944.db2.gz KCMCNHWRIFMGTP-WMLDXEAASA-N 1 0 353.438 2.961 20 5 FFBDRO COc1ccc(OCC[NH2+][C@H](CO)[C@H](C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000613389675 520479678 /nfs/dbraw/zinc/47/96/78/520479678.db2.gz JXXYLMXCJKYPHU-RHSMWYFYSA-N 1 0 360.410 2.736 20 5 FFBDRO C[NH2+]C1(CNC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCC1 ZINC000600823618 520488958 /nfs/dbraw/zinc/48/89/58/520488958.db2.gz HFHODANZHMZCLW-UHFFFAOYSA-N 1 0 374.363 2.674 20 5 FFBDRO CC[N@@H+]1CCC[C@H](NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000617450700 520506373 /nfs/dbraw/zinc/50/63/73/520506373.db2.gz IHLHDVBYOYWSGL-INIZCTEOSA-N 1 0 363.461 2.755 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)C[C@@H]1C ZINC000610135389 520554049 /nfs/dbraw/zinc/55/40/49/520554049.db2.gz RADXFTVMNWARDZ-DZGCQCFKSA-N 1 0 369.487 2.705 20 5 FFBDRO Cc1c(CNC(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)cccc1[N+](=O)[O-] ZINC000595587589 520572666 /nfs/dbraw/zinc/57/26/66/520572666.db2.gz ISLGWUJXOXTERN-INIZCTEOSA-N 1 0 360.458 2.824 20 5 FFBDRO C[C@@H]1C[C@H](NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000610208561 520580618 /nfs/dbraw/zinc/58/06/18/520580618.db2.gz DQOOPSABZHCSHF-DGCLKSJQSA-N 1 0 355.822 2.616 20 5 FFBDRO COc1ccc(OCC[N@@H+]2CCC[C@H](c3ccnc(C)n3)C2)c([N+](=O)[O-])c1 ZINC000610368052 520654738 /nfs/dbraw/zinc/65/47/38/520654738.db2.gz OSJABBMKTSQISV-HNNXBMFYSA-N 1 0 372.425 2.960 20 5 FFBDRO O=C(Cc1ccc(F)cc1[N+](=O)[O-])NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000598508046 520666971 /nfs/dbraw/zinc/66/69/71/520666971.db2.gz BURAJHWHSDWOLL-KRWDZBQOSA-N 1 0 357.385 2.667 20 5 FFBDRO C[C@@H]1CN(c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)CC[N@@H+](C2CCC2)C1 ZINC000601167845 520670247 /nfs/dbraw/zinc/67/02/47/520670247.db2.gz GPPQLOCTCSSQOV-JTQLQIEISA-N 1 0 361.368 2.658 20 5 FFBDRO CC(C)(C)OC(=O)CCC1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000595718089 520670864 /nfs/dbraw/zinc/67/08/64/520670864.db2.gz MVNGTWGMLJZQQD-UHFFFAOYSA-N 1 0 352.435 2.625 20 5 FFBDRO CCC1([NH+]2CCCC2)CCN(c2ccc(C(=O)NC)cc2[N+](=O)[O-])CC1 ZINC000601217425 520693044 /nfs/dbraw/zinc/69/30/44/520693044.db2.gz FKTWJLAOFCWPOT-UHFFFAOYSA-N 1 0 360.458 2.799 20 5 FFBDRO C[C@H]([NH2+][C@@H]1CCC[C@H]1Cc1cnn(C)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000595772461 520712885 /nfs/dbraw/zinc/71/28/85/520712885.db2.gz TWFVUIWVYGAMBF-DHSIGJKJSA-N 1 0 371.441 2.656 20 5 FFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(Cn2cnnc2)CC1 ZINC000593075564 520726527 /nfs/dbraw/zinc/72/65/27/520726527.db2.gz HPSHXMYKYCZNED-UHFFFAOYSA-N 1 0 359.430 2.886 20 5 FFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](n1cncn1)C(F)(F)F ZINC000601293003 520726674 /nfs/dbraw/zinc/72/66/74/520726674.db2.gz AKPMBZUHYAHHCU-SMDDNHRTSA-N 1 0 357.336 2.901 20 5 FFBDRO COC(=O)c1ccnc(NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000598591714 520732541 /nfs/dbraw/zinc/73/25/41/520732541.db2.gz AJHQYLBQJIMHGE-GFCCVEGCSA-N 1 0 350.419 2.699 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000601355135 520751867 /nfs/dbraw/zinc/75/18/67/520751867.db2.gz KNLQFJJKOPTKFR-QWHCGFSZSA-N 1 0 373.450 2.536 20 5 FFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](CN2CCCC2=O)C1 ZINC000595832387 520755696 /nfs/dbraw/zinc/75/56/96/520755696.db2.gz PENWOYVMBAXMJG-HNNXBMFYSA-N 1 0 361.442 2.826 20 5 FFBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC2(C=Cc3ccccc3O2)CC1 ZINC000595880226 520788443 /nfs/dbraw/zinc/78/84/43/520788443.db2.gz ZPBNWEDXKQXPNJ-UHFFFAOYSA-N 1 0 367.405 2.697 20 5 FFBDRO CCc1ccc(S(=O)(=O)N2CCC(CC)([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000601503091 520816780 /nfs/dbraw/zinc/81/67/80/520816780.db2.gz BDMJYUMGKHEFCN-UHFFFAOYSA-N 1 0 369.487 2.652 20 5 FFBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000601551516 520836486 /nfs/dbraw/zinc/83/64/86/520836486.db2.gz IDBCYBQZKFWLKH-OCCSQVGLSA-N 1 0 367.833 2.618 20 5 FFBDRO O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000601555872 520838210 /nfs/dbraw/zinc/83/82/10/520838210.db2.gz HUQKLMSHYIFUBN-CJNGLKHVSA-N 1 0 372.450 2.932 20 5 FFBDRO O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000601560922 520841976 /nfs/dbraw/zinc/84/19/76/520841976.db2.gz ZCFJREVTYSFVBY-CZUORRHYSA-N 1 0 372.450 2.932 20 5 FFBDRO C[C@H](Nc1ccc(C(=O)N[C@@]2(C)CC[NH2+]C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000595992790 520847880 /nfs/dbraw/zinc/84/78/80/520847880.db2.gz SGXRGHYLIXZSOR-DJJJIMSYSA-N 1 0 369.425 2.645 20 5 FFBDRO Nc1ccc(N2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)nc1[N+](=O)[O-] ZINC000596015927 520859788 /nfs/dbraw/zinc/85/97/88/520859788.db2.gz KAROWRCRJVNASJ-RDJZCZTQSA-N 1 0 355.442 2.749 20 5 FFBDRO Nc1ccc(N2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)nc1[N+](=O)[O-] ZINC000596015926 520859869 /nfs/dbraw/zinc/85/98/69/520859869.db2.gz KAROWRCRJVNASJ-NVXWUHKLSA-N 1 0 355.442 2.749 20 5 FFBDRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C1(c3ccc([N+](=O)[O-])cc3)CCC1)C2 ZINC000601614583 520866551 /nfs/dbraw/zinc/86/65/51/520866551.db2.gz XIOOIUNLWAMPQR-LJQANCHMSA-N 1 0 357.454 2.961 20 5 FFBDRO O=C(CC[NH+]1CC(c2nc3ccccc3[nH]2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000610844622 520867572 /nfs/dbraw/zinc/86/75/72/520867572.db2.gz CPSMIESYNRLWJZ-UHFFFAOYSA-N 1 0 365.393 2.899 20 5 FFBDRO CCOc1ccc(NC(=O)CN(C)CCOC(C)(C)C)c([N+](=O)[O-])c1 ZINC000610859722 520876888 /nfs/dbraw/zinc/87/68/88/520876888.db2.gz JZXOGMWUYXEVJH-UHFFFAOYSA-N 1 0 353.419 2.679 20 5 FFBDRO COc1cccc(C(=O)N2C[C@@H](C[NH+](C)C)Oc3ccccc32)c1[N+](=O)[O-] ZINC000618110469 520886624 /nfs/dbraw/zinc/88/66/24/520886624.db2.gz KLMKKTSGAVHLQC-CYBMUJFWSA-N 1 0 371.393 2.573 20 5 FFBDRO C[C@@H]1C[N@@H+](Cc2ccc(CNc3cc[nH]c(=O)c3[N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000596077743 520897855 /nfs/dbraw/zinc/89/78/55/520897855.db2.gz ATZYRZKUIJRMLI-OKILXGFUSA-N 1 0 372.425 2.917 20 5 FFBDRO CC[NH+]1CCN([C@@H](C)CNc2cc(OC)c([N+](=O)[O-])cc2Cl)CC1 ZINC000596078823 520899129 /nfs/dbraw/zinc/89/91/29/520899129.db2.gz UMUCAAQFANDFQE-LBPRGKRZSA-N 1 0 356.854 2.695 20 5 FFBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596088647 520906734 /nfs/dbraw/zinc/90/67/34/520906734.db2.gz MUMLGSQUTRKNOV-CZUORRHYSA-N 1 0 354.410 2.941 20 5 FFBDRO COCC[N@@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl ZINC000596110597 520918620 /nfs/dbraw/zinc/91/86/20/520918620.db2.gz QLMTZGZPKKUPEW-LLVKDONJSA-N 1 0 371.821 2.558 20 5 FFBDRO COC(=O)c1c(Cl)c(N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000596137766 520935131 /nfs/dbraw/zinc/93/51/31/520935131.db2.gz WIOKWAQVWVFWCU-GHMZBOCLSA-N 1 0 355.822 2.954 20 5 FFBDRO COc1cccc([C@H](C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)OC)c1 ZINC000598989119 520962965 /nfs/dbraw/zinc/96/29/65/520962965.db2.gz ZGOMEYIVUFQFNB-IBGZPJMESA-N 1 0 374.393 2.852 20 5 FFBDRO Cc1cc(N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)c([N+](=O)[O-])s1 ZINC000596198141 520965849 /nfs/dbraw/zinc/96/58/49/520965849.db2.gz IEQWKBHGPNXVKA-UHFFFAOYSA-N 1 0 352.504 2.819 20 5 FFBDRO C[C@H]1CCC[C@](CNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])([NH+](C)C)C1 ZINC000593416939 520979668 /nfs/dbraw/zinc/97/96/68/520979668.db2.gz FJUOYKZMERVYLP-UGSOOPFHSA-N 1 0 351.422 2.903 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@H](n2cccn2)C(F)(F)F)n1 ZINC000599055565 521004237 /nfs/dbraw/zinc/00/42/37/521004237.db2.gz HVLPGVYBPRXWGI-XQQFMLRXSA-N 1 0 372.351 2.865 20 5 FFBDRO COc1c[nH+]ccc1N1CCN(c2ccnc3cc([N+](=O)[O-])ccc32)CC1 ZINC000593469690 521014434 /nfs/dbraw/zinc/01/44/34/521014434.db2.gz PTSAOQCHONIMBE-UHFFFAOYSA-N 1 0 365.393 2.873 20 5 FFBDRO CC(C)(C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)C(=O)N1CCCC1 ZINC000599087723 521025294 /nfs/dbraw/zinc/02/52/94/521025294.db2.gz FOHRJJVNFHFMQB-HUUCEWRRSA-N 1 0 363.462 2.513 20 5 FFBDRO Cc1cnc(N2CCO[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]32)c([N+](=O)[O-])c1 ZINC000593495820 521032131 /nfs/dbraw/zinc/03/21/31/521032131.db2.gz JWBDBRXAJQZSQV-RBUKOAKNSA-N 1 0 368.437 2.778 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CC2([C@@H]3CCCCO3)CCC2)c1 ZINC000601969373 521046925 /nfs/dbraw/zinc/04/69/25/521046925.db2.gz QMGBRIRSFPHWDN-AEFFLSMTSA-N 1 0 364.442 2.664 20 5 FFBDRO COc1ccc(C[N@@H+]2CC[C@@H]2CNc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000599140439 521051494 /nfs/dbraw/zinc/05/14/94/521051494.db2.gz SKWKESUXKHSPKS-OAHLLOKOSA-N 1 0 367.409 2.588 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000601977890 521052250 /nfs/dbraw/zinc/05/22/50/521052250.db2.gz VMRFMXBFHQQXEP-YPMHNXCESA-N 1 0 369.849 2.910 20 5 FFBDRO O=[N+]([O-])c1cc2c(cc1CN1CCC[C@@H]1C[NH+]1CCCCC1)OCCO2 ZINC000611262771 521064522 /nfs/dbraw/zinc/06/45/22/521064522.db2.gz DTKBNNKNSRLXMN-MRXNPFEDSA-N 1 0 361.442 2.816 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]Cc2cccc3c2CCC3)cc1 ZINC000593615247 521110053 /nfs/dbraw/zinc/11/00/53/521110053.db2.gz KMHRDMXSGKUEJY-UHFFFAOYSA-N 1 0 360.435 2.647 20 5 FFBDRO O=[N+]([O-])c1cnc(NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)nc1 ZINC000596526633 521116679 /nfs/dbraw/zinc/11/66/79/521116679.db2.gz RUAIGINEZDAVCR-INIZCTEOSA-N 1 0 353.426 2.521 20 5 FFBDRO COc1cccc2c1OC[C@H]([NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)C2 ZINC000618568624 521128157 /nfs/dbraw/zinc/12/81/57/521128157.db2.gz LPUNSRQTNIPCIV-OAGGEKHMSA-N 1 0 372.425 2.877 20 5 FFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]C2CCN(CC(F)F)CC2)n1 ZINC000618570578 521129879 /nfs/dbraw/zinc/12/98/79/521129879.db2.gz YVSZBSASVVHCFL-KGLIPLIRSA-N 1 0 357.405 2.594 20 5 FFBDRO COc1cc(N2CCO[C@H](CCC[NH+](C)C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596566961 521135157 /nfs/dbraw/zinc/13/51/57/521135157.db2.gz NYKCADOBQDNCIM-GFCCVEGCSA-N 1 0 357.838 2.804 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](NC[C@@H]2CCC[N@H+]2CCCO)C(F)(F)F)cc1 ZINC000593713126 521169809 /nfs/dbraw/zinc/16/98/09/521169809.db2.gz UXAFWIIPHFVWOZ-GJZGRUSLSA-N 1 0 361.364 2.635 20 5 FFBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000611614714 521248799 /nfs/dbraw/zinc/24/87/99/521248799.db2.gz CLMDHNWBGLIFOZ-NEPJUHHUSA-N 1 0 355.341 2.553 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000593913226 521286498 /nfs/dbraw/zinc/28/64/98/521286498.db2.gz UAOFKFIOIZYUKK-PEBVRCNWSA-N 1 0 367.833 2.603 20 5 FFBDRO O=[N+]([O-])c1ccc2ncnc(N3CC[NH+](CCc4cccs4)CC3)c2c1 ZINC000611710833 521292458 /nfs/dbraw/zinc/29/24/58/521292458.db2.gz YUGDZRMBWUIDBN-UHFFFAOYSA-N 1 0 369.450 2.964 20 5 FFBDRO CCOCC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1CCc2ccccc21 ZINC000599624387 521341021 /nfs/dbraw/zinc/34/10/21/521341021.db2.gz DJLZDMJXDPWWMT-IBGZPJMESA-N 1 0 371.437 2.783 20 5 FFBDRO CCC(C)(C)[NH+]1CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000594020300 521355136 /nfs/dbraw/zinc/35/51/36/521355136.db2.gz GWFHOLZTQQTVAI-UHFFFAOYSA-N 1 0 359.430 2.951 20 5 FFBDRO Cc1c(NC(=O)CC[N@@H+]2CCc3c(O)cccc3C2)cccc1[N+](=O)[O-] ZINC000599648216 521358138 /nfs/dbraw/zinc/35/81/38/521358138.db2.gz VRLFVDIPBXMKLJ-UHFFFAOYSA-N 1 0 355.394 2.996 20 5 FFBDRO COc1cccc(C[C@@H]([NH3+])C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000602498742 521380450 /nfs/dbraw/zinc/38/04/50/521380450.db2.gz GMSJSMGBAMZLLF-GOSISDBHSA-N 1 0 369.421 2.664 20 5 FFBDRO O=C1CCCN1CCC[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602505306 521383482 /nfs/dbraw/zinc/38/34/82/521383482.db2.gz XCELOHHWHQBTQP-UHFFFAOYSA-N 1 0 362.249 2.521 20 5 FFBDRO CC(C)(C(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC000602540164 521402054 /nfs/dbraw/zinc/40/20/54/521402054.db2.gz JZZHEHOEHJBWCE-BXUZGUMPSA-N 1 0 373.375 2.858 20 5 FFBDRO CC(C)C[C@@H](CCO)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602559509 521410980 /nfs/dbraw/zinc/41/09/80/521410980.db2.gz DEYMRQINXVKMQE-OAHLLOKOSA-N 1 0 350.463 2.593 20 5 FFBDRO COC(=O)CC1([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CCC1 ZINC000602585177 521425283 /nfs/dbraw/zinc/42/52/83/521425283.db2.gz OZIMYCFKZRIQFW-UHFFFAOYSA-N 1 0 363.233 2.994 20 5 FFBDRO NC(=O)C1(C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CCCC1 ZINC000602595578 521429208 /nfs/dbraw/zinc/42/92/08/521429208.db2.gz ZHBSXRSLJRPJQE-UHFFFAOYSA-N 1 0 362.249 2.554 20 5 FFBDRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000602599502 521432678 /nfs/dbraw/zinc/43/26/78/521432678.db2.gz QOVXGYAJYGCEDC-HLPPOEQASA-N 1 0 360.458 2.639 20 5 FFBDRO C[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1c(F)cncc1F ZINC000602651999 521458808 /nfs/dbraw/zinc/45/88/08/521458808.db2.gz CCOKOPYQWJLAMK-LLVKDONJSA-N 1 0 363.368 2.983 20 5 FFBDRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000594197197 521462813 /nfs/dbraw/zinc/46/28/13/521462813.db2.gz AXHSBNSJFXCAKB-IAGOWNOFSA-N 1 0 372.469 2.942 20 5 FFBDRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000594197201 521463164 /nfs/dbraw/zinc/46/31/64/521463164.db2.gz AXHSBNSJFXCAKB-SJORKVTESA-N 1 0 372.469 2.942 20 5 FFBDRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000594200365 521466926 /nfs/dbraw/zinc/46/69/26/521466926.db2.gz LADIVLITZKLPOF-AEFFLSMTSA-N 1 0 369.425 2.527 20 5 FFBDRO Cc1cccc2c1OC[C@@H]([NH2+]C1CCN(c3ccc([N+](=O)[O-])nc3)CC1)C2 ZINC000602676406 521475160 /nfs/dbraw/zinc/47/51/60/521475160.db2.gz NNFCHPRZTGKHSF-KRWDZBQOSA-N 1 0 368.437 2.860 20 5 FFBDRO CC(C)[C@@H]1C[C@@H](C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCO1 ZINC000602684020 521478408 /nfs/dbraw/zinc/47/84/08/521478408.db2.gz DPMNUBRRFHWQHD-YJBOKZPZSA-N 1 0 362.474 2.999 20 5 FFBDRO CC(C)[C@@H]1C[C@H](C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCO1 ZINC000602684019 521478631 /nfs/dbraw/zinc/47/86/31/521478631.db2.gz DPMNUBRRFHWQHD-QAPCUYQASA-N 1 0 362.474 2.999 20 5 FFBDRO Cn1cc(C[NH+]2CCC(CCC(=O)OC(C)(C)C)CC2)c([N+](=O)[O-])n1 ZINC000602707845 521488749 /nfs/dbraw/zinc/48/87/49/521488749.db2.gz JUWZNTUEJPRZAI-UHFFFAOYSA-N 1 0 352.435 2.662 20 5 FFBDRO O=C(Nc1ccc([N+](=O)[O-])c2ccncc12)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000599830644 521499899 /nfs/dbraw/zinc/49/98/99/521499899.db2.gz WDVWCRSWKHRAPH-ZDUSSCGKSA-N 1 0 355.398 2.749 20 5 FFBDRO C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12)C1=CC[N@H+](C)CC1 ZINC000599832638 521500970 /nfs/dbraw/zinc/50/09/70/521500970.db2.gz GYBWFFLOKSAAQI-GFCCVEGCSA-N 1 0 355.398 2.915 20 5 FFBDRO COc1ccccc1C[N@H+](CCn1c(C)ncc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000602763456 521520183 /nfs/dbraw/zinc/52/01/83/521520183.db2.gz ONLQCZTYMZEGIZ-QGZVFWFLSA-N 1 0 374.441 2.790 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@H]1O ZINC000602825109 521554940 /nfs/dbraw/zinc/55/49/40/521554940.db2.gz JPMFTPOWCIFNDX-QMCVQRASSA-N 1 0 350.463 2.751 20 5 FFBDRO O=C1CC[C@H]2C[N@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)CC[C@@H]2N1 ZINC000597204845 521572440 /nfs/dbraw/zinc/57/24/40/521572440.db2.gz GGAOTVBBYQQQIC-YOEHRIQHSA-N 1 0 355.394 2.955 20 5 FFBDRO O=C1CC[C@@H]2C[N@H+](Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)CC[C@H]2N1 ZINC000597207816 521575001 /nfs/dbraw/zinc/57/50/01/521575001.db2.gz VTRRKYDXDPBJHP-RHSMWYFYSA-N 1 0 355.394 2.955 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(C(N)=O)(c2ccccc2)CC1 ZINC000619531639 521756114 /nfs/dbraw/zinc/75/61/14/521756114.db2.gz VKPVTZMTVVPECJ-UHFFFAOYSA-N 1 0 369.421 2.623 20 5 FFBDRO CC(C)[N@@H+]1CCCC[C@@H]1CN1C(=O)N[C@](C)(c2cccc([N+](=O)[O-])c2)C1=O ZINC000619864429 521908838 /nfs/dbraw/zinc/90/88/38/521908838.db2.gz OZJKWYBURAEOJN-VQIMIIECSA-N 1 0 374.441 2.625 20 5 FFBDRO C[C@@H](CNc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1)N1CC[NH+](C)CC1 ZINC000485416562 561318572 /nfs/dbraw/zinc/31/85/72/561318572.db2.gz KWRFAKPGUCXGGM-AWEZNQCLSA-N 1 0 373.432 2.844 20 5 FFBDRO C[NH+](C)CCc1ccc(Nc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)cc1 ZINC000736772117 598502004 /nfs/dbraw/zinc/50/20/04/598502004.db2.gz XENKZDZYSYSSBC-UHFFFAOYSA-N 1 0 353.386 2.623 20 5 FFBDRO C[C@@H]([NH2+]CCOc1ccccc1-c1nn[nH]n1)c1cccc([N+](=O)[O-])c1 ZINC000824600198 608470252 /nfs/dbraw/zinc/47/02/52/608470252.db2.gz XSYSDDMNWGBVKN-GFCCVEGCSA-N 1 0 354.370 2.505 20 5 FFBDRO Cc1cc(N2CC[NH+](C[C@@H]3CCCO3)CC2)nc2ccc([N+](=O)[O-])cc12 ZINC001165040096 721904663 /nfs/dbraw/zinc/90/46/63/721904663.db2.gz XZOWFMMOJXBRCR-INIZCTEOSA-N 1 0 356.426 2.752 20 5 FFBDRO CC[NH+](CC)[C@H]1CCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000072834699 728213816 /nfs/dbraw/zinc/21/38/16/728213816.db2.gz OEIXDDZFKXIVQW-ZDUSSCGKSA-N 1 0 354.838 2.603 20 5 FFBDRO C[NH+](C)CCN(Cc1ccccn1)C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000109725483 728528670 /nfs/dbraw/zinc/52/86/70/728528670.db2.gz ZGOOTKLPMPZWNA-UHFFFAOYSA-N 1 0 362.817 2.847 20 5 FFBDRO O=[N+]([O-])c1cc(S(=O)(=O)N(CC(F)(F)F)c2ccncc2)cs1 ZINC000120141708 728606849 /nfs/dbraw/zinc/60/68/49/728606849.db2.gz NDCGNJHQWSEJAZ-UHFFFAOYSA-N 1 0 367.330 2.809 20 5 FFBDRO C[NH+](C)CCN(C1CCCCC1)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000152193129 728749537 /nfs/dbraw/zinc/74/95/37/728749537.db2.gz BZVQSSSGNQNXND-UHFFFAOYSA-N 1 0 373.450 2.619 20 5 FFBDRO COc1ccc(C[N@H+](C)[C@H](C)CNC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000171956427 729016960 /nfs/dbraw/zinc/01/69/60/729016960.db2.gz KDPTXGNDQMIFEQ-GFCCVEGCSA-N 1 0 353.419 2.948 20 5 FFBDRO O=[N+]([O-])c1ccc(Cl)c(CN2CCC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000172180350 729021004 /nfs/dbraw/zinc/02/10/04/729021004.db2.gz GTUADNNRBVHZDR-AWEZNQCLSA-N 1 0 353.850 2.792 20 5 FFBDRO C[NH+]1CCC2(CC1)CN(c1cccc(Br)c1[N+](=O)[O-])CCO2 ZINC000856768247 730356156 /nfs/dbraw/zinc/35/61/56/730356156.db2.gz QYUVFFXZZLVZFN-UHFFFAOYSA-N 1 0 370.247 2.658 20 5 FFBDRO C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000857263338 730388117 /nfs/dbraw/zinc/38/81/17/730388117.db2.gz XCGBXUMIYMKJTF-GFCCVEGCSA-N 1 0 367.833 2.574 20 5 FFBDRO CC1(C)CCC[N@@H+]1CCNC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000857283408 730389159 /nfs/dbraw/zinc/38/91/59/730389159.db2.gz TVMYNBRPIHZBKF-UHFFFAOYSA-N 1 0 370.247 2.962 20 5 FFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@](C)(O)c1ccsc1 ZINC000766133039 737199412 /nfs/dbraw/zinc/19/94/12/737199412.db2.gz DGIPMYJTEBSQQZ-PXAZEXFGSA-N 1 0 363.439 2.871 20 5 FFBDRO C[C@@H](NC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000925167364 738484760 /nfs/dbraw/zinc/48/47/60/738484760.db2.gz BVYCFPQPSSROPY-DAXOMENPSA-N 1 0 364.471 2.535 20 5 FFBDRO COc1cc(CN[C@H]2CC[NH2+]C23CCC3)c([N+](=O)[O-])cc1OC(F)F ZINC000863644177 730798615 /nfs/dbraw/zinc/79/86/15/730798615.db2.gz MJWKDATYNJUCLB-AWEZNQCLSA-N 1 0 357.357 2.579 20 5 FFBDRO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CCC2(CC1)CC[NH+](C)CC2 ZINC000866054868 731026449 /nfs/dbraw/zinc/02/64/49/731026449.db2.gz KFADOZISDNDOLW-UHFFFAOYSA-N 1 0 361.368 2.659 20 5 FFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC1(S(C)(=O)=O)CCCC1 ZINC000866359701 731051742 /nfs/dbraw/zinc/05/17/42/731051742.db2.gz VMCVGZWVMFUUQZ-LBPRGKRZSA-N 1 0 358.435 2.612 20 5 FFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000866394576 731054675 /nfs/dbraw/zinc/05/46/75/731054675.db2.gz WIFPPWYPKSSZIV-STQMWFEESA-N 1 0 351.422 2.902 20 5 FFBDRO C[C@H](C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)CC1(C)OCCO1 ZINC000866425140 731058849 /nfs/dbraw/zinc/05/88/49/731058849.db2.gz JPGMTAHTHXUSII-KKUMJFAQSA-N 1 0 352.435 2.654 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H]1CC2(CO1)CCOCC2 ZINC000866533656 731071717 /nfs/dbraw/zinc/07/17/17/731071717.db2.gz SZGVRDUMSKWBTI-ZFWWWQNUSA-N 1 0 350.415 2.840 20 5 FFBDRO CCC[N@@H+]1CC[C@@H](NC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000869286065 731382964 /nfs/dbraw/zinc/38/29/64/731382964.db2.gz ZWQKOPXMBSDSFV-GFCCVEGCSA-N 1 0 370.247 2.500 20 5 FFBDRO COCCN(CC1CC[NH+](C)CC1)C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000869770197 731438197 /nfs/dbraw/zinc/43/81/97/731438197.db2.gz LRSGCFORCZLMQP-UHFFFAOYSA-N 1 0 369.849 2.679 20 5 FFBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1csc(C2CC[NH2+]CC2)n1 ZINC000870863911 731567448 /nfs/dbraw/zinc/56/74/48/731567448.db2.gz HZLIFKZKWRDELW-UHFFFAOYSA-N 1 0 360.439 2.791 20 5 FFBDRO [NH3+]Cc1nc2c(s1)CCN([C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)C2 ZINC000925746956 738526369 /nfs/dbraw/zinc/52/63/69/738526369.db2.gz DQAUWOOMXZNSCD-INIZCTEOSA-N 1 0 358.467 2.889 20 5 FFBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1COC2(CCOCC2)O1 ZINC000872058523 731724734 /nfs/dbraw/zinc/72/47/34/731724734.db2.gz VMKDCBJPEABOPW-GXTWGEPZSA-N 1 0 368.455 2.889 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@@]2(C(F)(F)F)CCCN2)n1 ZINC000925856711 738538272 /nfs/dbraw/zinc/53/82/72/738538272.db2.gz RTATWXSZGCGAHN-OUCADQQQSA-N 1 0 361.368 2.549 20 5 FFBDRO O=C(NCc1cccc([N+](=O)[O-])c1)[C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1 ZINC000876578127 732258677 /nfs/dbraw/zinc/25/86/77/732258677.db2.gz CCNXOXISSQUHJF-DLBZAZTESA-N 1 0 359.813 2.868 20 5 FFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1CNC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000877021423 732313551 /nfs/dbraw/zinc/31/35/51/732313551.db2.gz BFZAZCJXPZDUKH-ZIAGYGMSSA-N 1 0 359.348 2.566 20 5 FFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CCc3ccccc3OC(F)F)C2)c1 ZINC000877467818 732366856 /nfs/dbraw/zinc/36/68/56/732366856.db2.gz PWNQKCSKSAEQNG-UHFFFAOYSA-N 1 0 352.341 2.929 20 5 FFBDRO COc1cc(CC[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)ccc1Cl ZINC000877554544 732386790 /nfs/dbraw/zinc/38/67/90/732386790.db2.gz KDFLVWCMQLAKBS-UHFFFAOYSA-N 1 0 350.806 2.989 20 5 FFBDRO CC[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CCCOC1 ZINC000880469561 732912068 /nfs/dbraw/zinc/91/20/68/732912068.db2.gz VVXUMPSFHMIZEY-BXUZGUMPSA-N 1 0 355.822 2.982 20 5 FFBDRO CC[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCCOC1 ZINC000880470277 732912420 /nfs/dbraw/zinc/91/24/20/732912420.db2.gz ZGGLQVDKBOJKPR-SMDDNHRTSA-N 1 0 355.822 2.982 20 5 FFBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc([N+](=O)[O-])c3Br)CC[C@@H]21 ZINC000881439509 733055183 /nfs/dbraw/zinc/05/51/83/733055183.db2.gz NZSXYYKHPOCFGC-PWSUYJOCSA-N 1 0 368.231 2.524 20 5 FFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H](O)C(F)(F)C(F)(F)F ZINC000883362671 733373754 /nfs/dbraw/zinc/37/37/54/733373754.db2.gz KWHSWHLNUHCFPV-HQJQHLMTSA-N 1 0 360.254 2.813 20 5 FFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1C[C@H](S(C)(=O)=O)C1 ZINC000883374858 733376360 /nfs/dbraw/zinc/37/63/60/733376360.db2.gz SLMGDSDAXRYSFU-AVGNSLFASA-N 1 0 358.485 2.631 20 5 FFBDRO C[N@@H+]1C[C@@H]2CN(C(=O)c3cc(Cl)cc(Cl)c3[N+](=O)[O-])C[C@]2(C)C1 ZINC000887925430 733993708 /nfs/dbraw/zinc/99/37/08/733993708.db2.gz JDUBUIWFMVOQJB-PSLIRLAXSA-N 1 0 358.225 2.925 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](C)[NH+]2CCCCC2)cc1SC ZINC000728517669 734530291 /nfs/dbraw/zinc/53/02/91/734530291.db2.gz UIMFEQGLECQBPO-GFCCVEGCSA-N 1 0 367.471 2.930 20 5 FFBDRO O=C(CN1CC[C@H]([NH+]2CCCCC2)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000730808015 734650648 /nfs/dbraw/zinc/65/06/48/734650648.db2.gz FJCIIAONGMHCCO-AWEZNQCLSA-N 1 0 366.849 2.747 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000731678214 734691147 /nfs/dbraw/zinc/69/11/47/734691147.db2.gz IVWYARZCUQVPBM-OAHLLOKOSA-N 1 0 351.746 2.980 20 5 FFBDRO C[C@H]1CCC[N@@H+]1CCNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000783920093 738849062 /nfs/dbraw/zinc/84/90/62/738849062.db2.gz ZBRLDRPWGNUMKK-JTQLQIEISA-N 1 0 356.220 2.571 20 5 FFBDRO COc1c(O)ccc(C[N@@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC000894484068 734866872 /nfs/dbraw/zinc/86/68/72/734866872.db2.gz BJDGXHNMVWFLDO-KBPBESRZSA-N 1 0 350.415 2.948 20 5 FFBDRO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000735491015 734948028 /nfs/dbraw/zinc/94/80/28/734948028.db2.gz ZZJIATBZBNXKPU-CHWSQXEVSA-N 1 0 369.849 2.611 20 5 FFBDRO COC[C@H]1C[C@@H]([NH2+]Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C1 ZINC000895623771 735033554 /nfs/dbraw/zinc/03/35/54/735033554.db2.gz WFHHEKCSKZPUPW-KLPPZKSPSA-N 1 0 360.357 2.762 20 5 FFBDRO C[C@]1([C@@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])c(Cl)c3)C2)COC(=O)N1 ZINC000896394750 735152284 /nfs/dbraw/zinc/15/22/84/735152284.db2.gz FSJLNRIASNBVPG-MLGOLLRUSA-N 1 0 353.806 2.959 20 5 FFBDRO C[C@@H](C[NH2+]Cc1cn(C)nc1Br)c1ccccc1[N+](=O)[O-] ZINC000897460185 735237079 /nfs/dbraw/zinc/23/70/79/735237079.db2.gz FOMCAZXXVUTYMC-JTQLQIEISA-N 1 0 353.220 2.984 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000747375613 735559781 /nfs/dbraw/zinc/55/97/81/735559781.db2.gz PJXHEVDFBBQMMD-HFBAOOFYSA-N 1 0 367.833 2.572 20 5 FFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[NH2+]CCC12CCOCC2 ZINC000900481351 735651161 /nfs/dbraw/zinc/65/11/61/735651161.db2.gz YUTCXFSZANBNMV-UHFFFAOYSA-N 1 0 368.821 2.625 20 5 FFBDRO COc1cc(CN2CC[C@H]3CC[C@]32C[NH3+])c([N+](=O)[O-])cc1OC(F)F ZINC000903853367 736176572 /nfs/dbraw/zinc/17/65/72/736176572.db2.gz FHAYKBKKAGWUNE-BZNIZROVSA-N 1 0 357.357 2.518 20 5 FFBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@H](O)C[C@@H](O)c2ccccc2)c1 ZINC000905160627 736303753 /nfs/dbraw/zinc/30/37/53/736303753.db2.gz PLBLTRFQYTUHFL-NVXWUHKLSA-N 1 0 350.802 2.822 20 5 FFBDRO CC1(C)C[C@H](C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C(C)(C)O1 ZINC000905618770 736369803 /nfs/dbraw/zinc/36/98/03/736369803.db2.gz INLCDCNMVJUBCG-UKRRQHHQSA-N 1 0 352.431 2.518 20 5 FFBDRO COc1c(Cl)cccc1C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000905644247 736375386 /nfs/dbraw/zinc/37/53/86/736375386.db2.gz OWXNGPPJPDPGJF-CYBMUJFWSA-N 1 0 366.801 2.786 20 5 FFBDRO CC[N@H+](C)C[C@H]1CCN(c2c(Cl)cc([N+](=O)[O-])cc2C(=O)OC)C1 ZINC000757703784 736420836 /nfs/dbraw/zinc/42/08/36/736420836.db2.gz JLMSULOHSUNEON-LLVKDONJSA-N 1 0 355.822 2.813 20 5 FFBDRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)C1 ZINC000906876383 736554749 /nfs/dbraw/zinc/55/47/49/736554749.db2.gz TYLGUKZXSLEJLT-GFCCVEGCSA-N 1 0 366.849 2.634 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](C(F)(F)F)C1 ZINC000761044897 736690028 /nfs/dbraw/zinc/69/00/28/736690028.db2.gz IZYLGWCUOBABNL-JTQLQIEISA-N 1 0 361.320 2.816 20 5 FFBDRO CC[N@@H+]1C[C@H](C)N(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000766253169 737212603 /nfs/dbraw/zinc/21/26/03/737212603.db2.gz JATYXDAGLZYRPN-RYUDHWBXSA-N 1 0 354.838 2.601 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N[C@H]2C[C@H]([NH+](C)C)C23CCC3)c1F ZINC000912602925 737323891 /nfs/dbraw/zinc/32/38/91/737323891.db2.gz XLGHSCSPOBDASF-RYUDHWBXSA-N 1 0 353.369 2.784 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N2C[C@@]3(C)C[NH+](C)C[C@]3(C)C2)c1F ZINC000913276685 737390265 /nfs/dbraw/zinc/39/02/65/737390265.db2.gz KTPIHWGXXKYUJM-IAGOWNOFSA-N 1 0 353.369 2.595 20 5 FFBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@@H]1CCCC[C@H]1N1CCOCC1 ZINC000769802954 737568317 /nfs/dbraw/zinc/56/83/17/737568317.db2.gz XJANLXFJBJVWNM-NVXWUHKLSA-N 1 0 353.850 2.981 20 5 FFBDRO CCOC(=O)[C@@]1(C(C)C)CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000773917931 737945223 /nfs/dbraw/zinc/94/52/23/737945223.db2.gz AXWLQBFNNVEIHR-AEFFLSMTSA-N 1 0 350.415 2.539 20 5 FFBDRO C[C@@H](NS(=O)(=O)c1ccc(C[NH+](C)C)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000921365444 737970259 /nfs/dbraw/zinc/97/02/59/737970259.db2.gz MKZCZWZALDEPNV-CYBMUJFWSA-N 1 0 363.439 2.696 20 5 FFBDRO C[C@H](NC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12)c1ccccc1[N+](=O)[O-] ZINC000921806122 738047637 /nfs/dbraw/zinc/04/76/37/738047637.db2.gz IYJPYGBXHDGTAL-BJJXKVORSA-N 1 0 364.471 2.535 20 5 FFBDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000923283284 738266134 /nfs/dbraw/zinc/26/61/34/738266134.db2.gz UHNUSVIIAVMYJV-NWDGAFQWSA-N 1 0 357.332 2.922 20 5 FFBDRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000778262333 738367713 /nfs/dbraw/zinc/36/77/13/738367713.db2.gz UCUJKVILNFPAPX-QWRGUYRKSA-N 1 0 363.443 2.592 20 5 FFBDRO CC[NH+]1CCC(CCNC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000778289142 738369991 /nfs/dbraw/zinc/36/99/91/738369991.db2.gz IIXJQYCRLXEIJG-UHFFFAOYSA-N 1 0 355.385 2.925 20 5 FFBDRO COC(=O)N1CCC([NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000785520866 738973802 /nfs/dbraw/zinc/97/38/02/738973802.db2.gz CRNRUYPRWSJEEY-UHFFFAOYSA-N 1 0 361.320 2.934 20 5 FFBDRO C[NH+]1CCC(n2ccc(NC(=O)c3ccc([N+](=O)[O-])c(Cl)c3)n2)CC1 ZINC000786201416 739033437 /nfs/dbraw/zinc/03/34/37/739033437.db2.gz UIJSKMGAOUZCTL-UHFFFAOYSA-N 1 0 363.805 2.964 20 5 FFBDRO C[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788603589 739262937 /nfs/dbraw/zinc/26/29/37/739262937.db2.gz FHTOPLAKJRJLDK-WCQYABFASA-N 1 0 350.419 2.837 20 5 FFBDRO Cc1nc2sccn2c(=O)c1CC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000932178567 739399180 /nfs/dbraw/zinc/39/91/80/739399180.db2.gz QNUWWTMUQPTLJW-LLVKDONJSA-N 1 0 358.423 2.866 20 5 FFBDRO O=C(C[NH2+]C1([C@H]2CCCCO2)CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000933378048 739612673 /nfs/dbraw/zinc/61/26/73/739612673.db2.gz JGWMAEFLCARJKZ-CQSZACIVSA-N 1 0 353.806 2.878 20 5 FFBDRO O=C(C[NH2+]C1([C@@H]2CCCCO2)CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000933378047 739612833 /nfs/dbraw/zinc/61/28/33/739612833.db2.gz JGWMAEFLCARJKZ-AWEZNQCLSA-N 1 0 353.806 2.878 20 5 FFBDRO COC(=O)[C@H]1CCCC[C@]1(C)[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792873673 739714212 /nfs/dbraw/zinc/71/42/12/739714212.db2.gz UOABRKGPDCMAJU-CJNGLKHVSA-N 1 0 351.359 2.715 20 5 FFBDRO COc1c[nH+]ccc1N1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000793370763 739774810 /nfs/dbraw/zinc/77/48/10/739774810.db2.gz RFMFLBTUVAVLPZ-UHFFFAOYSA-N 1 0 362.817 2.974 20 5 FFBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000794258499 739868345 /nfs/dbraw/zinc/86/83/45/739868345.db2.gz QMVGJLUYUGFNSZ-LBPRGKRZSA-N 1 0 354.426 2.650 20 5 FFBDRO COc1c[nH+]ccc1N1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000795287029 739997037 /nfs/dbraw/zinc/99/70/37/739997037.db2.gz IKZANQGNYNZNPP-UHFFFAOYSA-N 1 0 350.325 2.603 20 5 FFBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000796434445 740142966 /nfs/dbraw/zinc/14/29/66/740142966.db2.gz LOVIJPTZGCIBNP-OCCSQVGLSA-N 1 0 366.849 2.745 20 5 FFBDRO CN(CCC[NH+]1CCCC1)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000799175502 740396899 /nfs/dbraw/zinc/39/68/99/740396899.db2.gz AZOWJBDAMOJFHN-UHFFFAOYSA-N 1 0 354.838 2.604 20 5 FFBDRO C[C@H]1C[NH+](CCCCNc2c([N+](=O)[O-])cccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000804539984 740881990 /nfs/dbraw/zinc/88/19/90/740881990.db2.gz RGBXTUUJPKFCJM-STQMWFEESA-N 1 0 352.391 2.804 20 5 FFBDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3cc([N+](=O)[O-])ccc3Cl)[C@H]2C1 ZINC000808446526 741226416 /nfs/dbraw/zinc/22/64/16/741226416.db2.gz KTHJQRQGGPYVSL-NUTKFTJISA-N 1 0 351.834 2.985 20 5 FFBDRO C[C@@H]1C[NH+](CCCNC(=O)Nc2cccc([N+](=O)[O-])c2Cl)C[C@@H](C)O1 ZINC000809916075 741360600 /nfs/dbraw/zinc/36/06/00/741360600.db2.gz GAMCGHLKTNJBOL-VXGBXAGGSA-N 1 0 370.837 2.869 20 5 FFBDRO O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CCN(c2cc[nH+]cc2)CC1 ZINC000809919298 741361022 /nfs/dbraw/zinc/36/10/22/741361022.db2.gz FFHJEQLQGPQOLQ-UHFFFAOYSA-N 1 0 361.789 2.997 20 5 FFBDRO O=C(O[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000810844736 741455213 /nfs/dbraw/zinc/45/52/13/741455213.db2.gz QOVDCCJGOABDMI-NWDGAFQWSA-N 1 0 356.325 2.980 20 5 FFBDRO O=C(C[N@H+]1CC[C@@H](O)C12CCCC2)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000814667910 741855450 /nfs/dbraw/zinc/85/54/50/741855450.db2.gz UHVOCVTWOPQSJG-CQSZACIVSA-N 1 0 353.806 2.566 20 5 FFBDRO O=C(CC[N@H+]1CCC[C@@H](CCO)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000817297473 742120304 /nfs/dbraw/zinc/12/03/04/742120304.db2.gz REPBZZNGEBJIEN-CYBMUJFWSA-N 1 0 353.394 2.547 20 5 FFBDRO C[NH+](C)CCC[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)CCO1 ZINC000820828251 742556453 /nfs/dbraw/zinc/55/64/53/742556453.db2.gz VOLJTOYTFSDFJU-ZDUSSCGKSA-N 1 0 370.837 2.823 20 5 FFBDRO CCC[N@H+](CC)CCNC(=O)c1cc(Cl)c([N+](=O)[O-])cc1NC(C)=O ZINC000826757844 743436608 /nfs/dbraw/zinc/43/66/08/743436608.db2.gz HBVXPDKZPHTJEO-UHFFFAOYSA-N 1 0 370.837 2.668 20 5 FFBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)CCOc3ccc(Cl)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000827321131 743554668 /nfs/dbraw/zinc/55/46/68/743554668.db2.gz UNAYYXCVPCNWAK-OCCSQVGLSA-N 1 0 367.833 2.570 20 5 FFBDRO CC(C)[N@H+](C)CCNS(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000831191442 745496808 /nfs/dbraw/zinc/49/68/08/745496808.db2.gz UROXIURKEOBMAO-UHFFFAOYSA-N 1 0 370.258 2.520 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)c1F ZINC000831454333 745531765 /nfs/dbraw/zinc/53/17/65/745531765.db2.gz QEOQWYHSGZRURG-NSHDSACASA-N 1 0 355.385 2.984 20 5 FFBDRO Cc1cc([C@@H]([NH3+])CC(=O)NCc2cccc([N+](=O)[O-])c2C)cc(Cl)n1 ZINC000831993445 745615915 /nfs/dbraw/zinc/61/59/15/745615915.db2.gz RXUKLZCDRRFCEU-AWEZNQCLSA-N 1 0 362.817 2.966 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(C(=O)Nc2cnn(CC[NH+](C)C)c2)cc1Cl ZINC000836557723 746254604 /nfs/dbraw/zinc/25/46/04/746254604.db2.gz RUUASIZFZSWEDU-UHFFFAOYSA-N 1 0 351.794 2.567 20 5 FFBDRO CC(=O)NC[C@H]1CCCN(Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000839470529 746833708 /nfs/dbraw/zinc/83/37/08/746833708.db2.gz PNZIQWBZOJRLCX-GFCCVEGCSA-N 1 0 370.247 2.705 20 5 FFBDRO C[C@@H]1C[C@H](N(C)CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000839502978 746841818 /nfs/dbraw/zinc/84/18/18/746841818.db2.gz IPAACYYQYLAQAY-DGCLKSJQSA-N 1 0 354.838 2.601 20 5 FFBDRO CO[C@](C)([C@H](C)[NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CC1 ZINC000839637520 746877515 /nfs/dbraw/zinc/87/75/15/746877515.db2.gz FARQLZSTBODJHF-MGPLVRAMSA-N 1 0 355.822 2.980 20 5 FFBDRO CC[C@@H](C(=O)N[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F)[NH+](C)C ZINC000840526936 747116554 /nfs/dbraw/zinc/11/65/54/747116554.db2.gz KTLZDUGXPSGYSM-CABZTGNLSA-N 1 0 351.300 2.794 20 5 FFBDRO C[C@@H]([NH2+]CC(C)(C)[C@@H]1COCC12OCCO2)c1cccc([N+](=O)[O-])c1 ZINC000840805126 747188480 /nfs/dbraw/zinc/18/84/80/747188480.db2.gz YXFHHHRGKFTYQT-CJNGLKHVSA-N 1 0 350.415 2.661 20 5 FFBDRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000842510851 747623456 /nfs/dbraw/zinc/62/34/56/747623456.db2.gz UUXLZSRENINHQF-GDBMZVCRSA-N 1 0 367.833 2.607 20 5 FFBDRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000842510854 747623527 /nfs/dbraw/zinc/62/35/27/747623527.db2.gz UUXLZSRENINHQF-ZBFHGGJFSA-N 1 0 367.833 2.607 20 5 FFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@@H](O)c2ccc(Cl)c(F)c2)c1 ZINC000843093787 747768627 /nfs/dbraw/zinc/76/86/27/747768627.db2.gz NZIDXGHNXRNWOR-JKSUJKDBSA-N 1 0 354.765 2.744 20 5 FFBDRO C[NH2+]CCC1CCN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000843363411 747817588 /nfs/dbraw/zinc/81/75/88/747817588.db2.gz CWLHDPOJABIILO-UHFFFAOYSA-N 1 0 354.838 2.508 20 5 FFBDRO O=C(CN1CCC[C@H]([C@H]2CCC[NH2+]2)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000843362818 747817685 /nfs/dbraw/zinc/81/76/85/747817685.db2.gz IBNMNZHICOUHID-GXTWGEPZSA-N 1 0 366.849 2.651 20 5 FFBDRO CC(C)O[C@@H]1CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000844381918 748018269 /nfs/dbraw/zinc/01/82/69/748018269.db2.gz ONMAOOBEZVDQRH-CQSZACIVSA-N 1 0 353.394 2.952 20 5 FFBDRO CN(CC[NH+]1CCCCC1)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000845032823 748165415 /nfs/dbraw/zinc/16/54/15/748165415.db2.gz IRGSTFVECKAEAN-UHFFFAOYSA-N 1 0 354.838 2.876 20 5 FFBDRO COCC[NH+]1CCC(OC(=O)c2cc(SC)ccc2[N+](=O)[O-])CC1 ZINC000847880969 748802649 /nfs/dbraw/zinc/80/26/49/748802649.db2.gz DXPWTBXIMPNBML-UHFFFAOYSA-N 1 0 354.428 2.584 20 5 FFBDRO Cn1nnc2c1CC[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C2 ZINC000848926076 749035961 /nfs/dbraw/zinc/03/59/61/749035961.db2.gz KUTPMRZXTPDCCZ-JTQLQIEISA-N 1 0 356.213 2.677 20 5 FFBDRO O=C1O[C@H](C[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CN1C1CC1 ZINC000848930352 749037411 /nfs/dbraw/zinc/03/74/11/749037411.db2.gz QOAMMLRWDXSXOF-LLVKDONJSA-N 1 0 360.197 2.974 20 5 FFBDRO O=[N+]([O-])c1ccc(CN2CCC[C@H]([NH+]3CCOCC3)CC2)cc1Cl ZINC000848929858 749037472 /nfs/dbraw/zinc/03/74/72/749037472.db2.gz KKHKDVACUMRDQK-HNNXBMFYSA-N 1 0 353.850 2.935 20 5 FFBDRO C[C@@H](CCNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)[NH+](C)C ZINC000849429232 749150014 /nfs/dbraw/zinc/15/00/14/749150014.db2.gz LNTLMKWRIPLVKP-QMMMGPOBSA-N 1 0 370.258 2.520 20 5 FFBDRO Cn1cc(C[NH2+]CC2SCCS2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000850401760 749359942 /nfs/dbraw/zinc/35/99/42/749359942.db2.gz RSCJNIWHABCQNS-UHFFFAOYSA-N 1 0 350.469 2.891 20 5 FFBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CC[S@@](=O)CC(F)(F)F)C1CC1 ZINC000850493258 749374154 /nfs/dbraw/zinc/37/41/54/749374154.db2.gz VBLBZYICDDKBLX-YEBMWUKDSA-N 1 0 364.389 2.817 20 5 FFBDRO C[NH+](C)CCC[C@@H]1CN(c2ccc([N+](=O)[O-])cc2OC(F)F)CCO1 ZINC000853989541 750219874 /nfs/dbraw/zinc/21/98/74/750219874.db2.gz CTBZFFWIFQIMTA-CYBMUJFWSA-N 1 0 359.373 2.743 20 5 FFBDRO C[NH+](C)CCC[C@H]1CN(c2cc(Br)ccc2[N+](=O)[O-])CCO1 ZINC000853990166 750220348 /nfs/dbraw/zinc/22/03/48/750220348.db2.gz JOTBEMAICVILFQ-ZDUSSCGKSA-N 1 0 372.263 2.904 20 5 FFBDRO C[NH+](C)CCC[C@H]1CN(c2nc3ccc([N+](=O)[O-])cc3s2)CCO1 ZINC000853990098 750220495 /nfs/dbraw/zinc/22/04/95/750220495.db2.gz IQXLTWASGHBJMA-ZDUSSCGKSA-N 1 0 350.444 2.752 20 5 FFBDRO COc1ccc([C@H]([NH2+]C(C)C)C(=O)NCc2cccc([N+](=O)[O-])c2)cc1 ZINC000895940318 971100118 /nfs/dbraw/zinc/10/01/18/971100118.db2.gz LKLQJAFBHUFTTM-SFHVURJKSA-N 1 0 357.410 2.959 20 5 FFBDRO C[C@](O)(C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1cccc(F)c1 ZINC000896563423 971585127 /nfs/dbraw/zinc/58/51/27/971585127.db2.gz JNGJOKVBUJHGOK-IBGZPJMESA-N 1 0 374.416 2.595 20 5 FFBDRO CC1(c2ccc(C[NH2+]C[C@H](O)c3cccc([N+](=O)[O-])c3)cc2)OCCO1 ZINC000872220834 1013184339 /nfs/dbraw/zinc/18/43/39/1013184339.db2.gz SEZWAVWZLCTWQA-SFHVURJKSA-N 1 0 358.394 2.638 20 5 FFBDRO CC1(C)C[NH2+]CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 ZINC000872269588 1013194085 /nfs/dbraw/zinc/19/40/85/1013194085.db2.gz MOPMAMKLKKOVSZ-AWEZNQCLSA-N 1 0 360.458 2.703 20 5 FFBDRO CN(CC(C)(C)C[NH+](C)C)C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000890887238 960805506 /nfs/dbraw/zinc/80/55/06/960805506.db2.gz YLDIMQDSTZTXBN-UHFFFAOYSA-N 1 0 362.474 2.855 20 5 FFBDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825643427 1013329904 /nfs/dbraw/zinc/32/99/04/1013329904.db2.gz BMFGNGLZURLXSN-LJQANCHMSA-N 1 0 371.437 2.739 20 5 FFBDRO Cc1cc(F)ccc1C[NH2+]CCC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001269858828 964372646 /nfs/dbraw/zinc/37/26/46/964372646.db2.gz GLPXBBFYQBQTCZ-QZTJIDSGSA-N 1 0 363.433 2.518 20 5 FFBDRO COc1cccc([C@H]2CN(CCOc3cccc([N+](=O)[O-])c3)CC[NH2+]2)c1 ZINC001175578107 1013514489 /nfs/dbraw/zinc/51/44/89/1013514489.db2.gz MQCSOLWMNXIFPC-LJQANCHMSA-N 1 0 357.410 2.629 20 5 FFBDRO C[NH+](C)Cc1ccc(CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)cc1F ZINC000135190829 966788047 /nfs/dbraw/zinc/78/80/47/966788047.db2.gz ITDUUTWXAGQNPY-UHFFFAOYSA-N 1 0 374.416 2.837 20 5 FFBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000843768375 967144730 /nfs/dbraw/zinc/14/47/30/967144730.db2.gz GVPDGETWTIGXRQ-UHFFFAOYSA-N 1 0 372.400 2.832 20 5 FFBDRO [NH3+][C@@H]1CN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C[C@H]1c1ccccc1 ZINC000262087156 967202246 /nfs/dbraw/zinc/20/22/46/967202246.db2.gz YCVQNAFAENSIMS-GOEBONIOSA-N 1 0 374.828 2.613 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N2CCN(c3cc[nH+]cc3)C[C@@H]2C)c1F ZINC000895269109 968911738 /nfs/dbraw/zinc/91/17/38/968911738.db2.gz RVIJJETUFPHDIJ-ZDUSSCGKSA-N 1 0 358.373 2.788 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC001267590853 969689665 /nfs/dbraw/zinc/68/96/65/969689665.db2.gz LGSSUGDVDBNSHU-FZKQIMNGSA-N 1 0 354.410 2.549 20 5 FFBDRO O=[N+]([O-])c1ccc(O[C@H]2C[NH2+]CCC23CC3)c(I)c1 ZINC001218400756 970006919 /nfs/dbraw/zinc/00/69/19/970006919.db2.gz YLMWCICMASESHT-LBPRGKRZSA-N 1 0 374.178 2.720 20 5 FFBDRO O=c1c([N+](=O)[O-])cn(Cc2ccc(C[NH+]3CCCCC3)cc2)cc1[N+](=O)[O-] ZINC000840199237 970648492 /nfs/dbraw/zinc/64/84/92/970648492.db2.gz MJLJPHQKEPTJHW-UHFFFAOYSA-N 1 0 372.381 2.699 20 5 FFBDRO C[C@H](CNC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)c1ccccc1[N+](=O)[O-] ZINC000897060940 973204857 /nfs/dbraw/zinc/20/48/57/973204857.db2.gz DOSMQOGNWVHTEB-BFYDXBDKSA-N 1 0 360.458 2.824 20 5 FFBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000893447292 974071576 /nfs/dbraw/zinc/07/15/76/974071576.db2.gz RYBMGNIZMSBYIQ-GFCCVEGCSA-N 1 0 358.373 2.788 20 5 FFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[N@H+](Cc2cccc3ccccc32)CC1 ZINC000981137560 976264127 /nfs/dbraw/zinc/26/41/27/976264127.db2.gz XBAWYDTYAQENQB-RTBURBONSA-N 1 0 353.422 2.539 20 5 FFBDRO Cc1ncccc1OC[C@@H]1CCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000842173535 976709662 /nfs/dbraw/zinc/70/96/62/976709662.db2.gz RHNAKTPPVQLFDX-ZWKOTPCHSA-N 1 0 357.410 2.875 20 5 FFBDRO CC(C)c1ccc(C[N@@H+]2CCCC3(CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)C2)cc1 ZINC000981765212 976763872 /nfs/dbraw/zinc/76/38/72/976763872.db2.gz VIGKPVCRHFTXMV-RTBURBONSA-N 1 0 371.481 2.900 20 5 FFBDRO CCOC(=O)Cc1ccc(N2CCC3(CCC[N@@H+]3C)CC2)c([N+](=O)[O-])c1 ZINC000825895827 1014356700 /nfs/dbraw/zinc/35/67/00/1014356700.db2.gz RDRPNMFIHMSPSR-UHFFFAOYSA-N 1 0 361.442 2.765 20 5 FFBDRO CC1CCN(CC[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000236847259 977139419 /nfs/dbraw/zinc/13/94/19/977139419.db2.gz OXIPNZZYXRFLFS-UHFFFAOYSA-N 1 0 357.458 2.817 20 5 FFBDRO Cn1ncc([N+](=O)[O-])c1C(=O)Nc1ccc(C[NH+](C)C)c(C(F)(F)F)c1 ZINC000899672265 977291183 /nfs/dbraw/zinc/29/11/83/977291183.db2.gz XJKADAHGLXVNNO-UHFFFAOYSA-N 1 0 371.319 2.661 20 5 FFBDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2c(C)c(F)ccc2[N+](=O)[O-])C1 ZINC000843813964 977306737 /nfs/dbraw/zinc/30/67/37/977306737.db2.gz QKNWKAHCRIGRFF-CQSZACIVSA-N 1 0 367.421 2.615 20 5 FFBDRO Cc1c(C)c(C)c(C[NH2+]C/C=C\CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c(C)c1C ZINC001268543291 977956721 /nfs/dbraw/zinc/95/67/21/977956721.db2.gz VMBGGHPIHKXEJQ-LJJUJYJISA-N 1 0 359.470 2.656 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]([NH+](C)C)Cc2ccccc21 ZINC000067208770 977964865 /nfs/dbraw/zinc/96/48/65/977964865.db2.gz XCTLSTLOQPIVAU-HNNXBMFYSA-N 1 0 355.394 2.737 20 5 FFBDRO O=C(CCCC[NH+]1CCCC1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000729299594 978233846 /nfs/dbraw/zinc/23/38/46/978233846.db2.gz FCFYWWURMWCMSB-UHFFFAOYSA-N 1 0 360.458 2.510 20 5 FFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@H]3CCN(c4c(F)cccc4F)C3)C2)c1 ZINC000877110899 1014477338 /nfs/dbraw/zinc/47/73/38/1014477338.db2.gz FYHVHVIJLQZEAF-HIFPTAJRSA-N 1 0 363.368 2.642 20 5 FFBDRO COc1ccc(C[C@H](C)C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)cc1OC ZINC000877129949 1014482187 /nfs/dbraw/zinc/48/21/87/1014482187.db2.gz RPHQDHIYOGCUMY-JEYLPNPQSA-N 1 0 374.441 2.980 20 5 FFBDRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000654068664 1014559528 /nfs/dbraw/zinc/55/95/28/1014559528.db2.gz RPSHJEUNXARDAB-IYBDPMFKSA-N 1 0 363.461 2.611 20 5 FFBDRO C[N@@H+](Cc1ccc2cc[nH]c2c1)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001029964396 980154384 /nfs/dbraw/zinc/15/43/84/980154384.db2.gz FWGSRQWVJWVAHS-IEBWSBKVSA-N 1 0 370.453 2.504 20 5 FFBDRO Cc1cc(C)cc(C[N@H+](C)CC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 ZINC001029964502 980155181 /nfs/dbraw/zinc/15/51/81/980155181.db2.gz MLPSTFKHRZVZIV-RTBURBONSA-N 1 0 359.470 2.639 20 5 FFBDRO C[N@H+](C[C@H]1CC=CCC1)CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000784014740 980491365 /nfs/dbraw/zinc/49/13/65/980491365.db2.gz NSZWZVNQDJVIBY-AWEZNQCLSA-N 1 0 358.398 2.609 20 5 FFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@@H]3CCO[C@H]3c3ccc(F)c(F)c3)C2)c1 ZINC000877662387 1014665880 /nfs/dbraw/zinc/66/58/80/1014665880.db2.gz QPQUWRGUWGWCCQ-UADMCSNRSA-N 1 0 364.352 2.893 20 5 FFBDRO Cn1cc(C[NH+]2CCC(C(C)(C)O)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000877754212 1014714003 /nfs/dbraw/zinc/71/40/03/1014714003.db2.gz XEPHBRBSNVHRFQ-UHFFFAOYSA-N 1 0 358.442 2.978 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]Cc3ccc4nonc4c3)CC2)cc1 ZINC000897990965 982586173 /nfs/dbraw/zinc/58/61/73/982586173.db2.gz HYLGPAYDJBAMIW-UHFFFAOYSA-N 1 0 353.382 2.890 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@]34C[C@H]3COC43CCC3)CC2)cn1 ZINC000898061929 982605114 /nfs/dbraw/zinc/60/51/14/982605114.db2.gz JYGMUXDJPFBKGP-KBXCAEBGSA-N 1 0 358.442 2.507 20 5 FFBDRO CN(CC[C@H]1CCCC[N@@H+]1C)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878136095 1014876805 /nfs/dbraw/zinc/87/68/05/1014876805.db2.gz RRVZGIQPBLWMHF-CQSZACIVSA-N 1 0 359.430 2.951 20 5 FFBDRO C[C@@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000912814264 984126172 /nfs/dbraw/zinc/12/61/72/984126172.db2.gz UURMYGPZWQICSI-BLLLJJGKSA-N 1 0 359.430 2.664 20 5 FFBDRO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCC([NH+]2CCC2)CC1 ZINC000912884582 984143649 /nfs/dbraw/zinc/14/36/49/984143649.db2.gz OCUCVQBABGFRCY-UHFFFAOYSA-N 1 0 358.442 2.505 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@H](O)COc3ccccc3)CC2)cc1 ZINC000764809908 984728689 /nfs/dbraw/zinc/72/86/89/984728689.db2.gz KFWOXWSFCGPVMO-IBGZPJMESA-N 1 0 371.437 2.593 20 5 FFBDRO O=[N+]([O-])c1ccc(NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)nc1-c1ccccc1 ZINC000761210203 984905184 /nfs/dbraw/zinc/90/51/84/984905184.db2.gz ILOGBWQOGRVBOV-JKSUJKDBSA-N 1 0 354.410 2.932 20 5 FFBDRO COc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000170647423 985103438 /nfs/dbraw/zinc/10/34/38/985103438.db2.gz UEVIDMVBAWUPGA-AWEZNQCLSA-N 1 0 365.430 2.950 20 5 FFBDRO CCOc1cc(C[NH2+]C2CC2)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000061003425 985109494 /nfs/dbraw/zinc/10/94/94/985109494.db2.gz KWYFZDSPSHYAEG-UHFFFAOYSA-N 1 0 360.414 2.829 20 5 FFBDRO C/C(=C\C(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000785437974 985320811 /nfs/dbraw/zinc/32/08/11/985320811.db2.gz ACWOCUIEIIFOKC-QJPKHSJYSA-N 1 0 373.453 2.710 20 5 FFBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878615869 1015133219 /nfs/dbraw/zinc/13/32/19/1015133219.db2.gz QVHWSUDSWOYAMJ-DZGCQCFKSA-N 1 0 357.414 2.703 20 5 FFBDRO C[N@@H+]1CC[C@@]2(C1)CCCN(Cc1nnc(-c3ccccc3[N+](=O)[O-])o1)C2 ZINC000878662590 1015156724 /nfs/dbraw/zinc/15/67/24/1015156724.db2.gz RJBAXZUKWAZRIX-GOSISDBHSA-N 1 0 357.414 2.563 20 5 FFBDRO Cc1c(C(=O)NC2CC[NH+](CC(C)C)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000063699124 986016779 /nfs/dbraw/zinc/01/67/79/986016779.db2.gz MIKLWMQYCOKRCI-UHFFFAOYSA-N 1 0 364.402 2.662 20 5 FFBDRO COC(=O)[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2C)C[C@H]1c1ccc(O)cc1 ZINC000451097629 987356349 /nfs/dbraw/zinc/35/63/49/987356349.db2.gz QGGMISCDOPBAGO-ZWKOTPCHSA-N 1 0 370.405 2.997 20 5 FFBDRO CC1([NH+]2CCC2)CCC(NC(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000914325883 987437029 /nfs/dbraw/zinc/43/70/29/987437029.db2.gz VGWUFZZYNOYEKY-UHFFFAOYSA-N 1 0 360.458 2.844 20 5 FFBDRO C[N@H+](CCCNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)C1CCCCC1 ZINC000915284423 988377309 /nfs/dbraw/zinc/37/73/09/988377309.db2.gz XGHNTOSEBSGINR-UHFFFAOYSA-N 1 0 373.457 2.715 20 5 FFBDRO Cc1noc(C)c1CO[C@H]1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000762638102 988544279 /nfs/dbraw/zinc/54/42/79/988544279.db2.gz AIQXIRNYLWIISA-WMZOPIPTSA-N 1 0 361.398 2.524 20 5 FFBDRO COc1cc(C[NH2+][C@@H](CO)CCc2ccccc2)c([N+](=O)[O-])cc1OC ZINC000922545307 988689381 /nfs/dbraw/zinc/68/93/81/988689381.db2.gz KUHPTXUIBRMONB-MRXNPFEDSA-N 1 0 360.410 2.695 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000879229358 1015421978 /nfs/dbraw/zinc/42/19/78/1015421978.db2.gz VRPNZYXMJAYYSG-UHFFFAOYSA-N 1 0 362.430 2.668 20 5 FFBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000922878709 988971012 /nfs/dbraw/zinc/97/10/12/988971012.db2.gz SFTZRVBXYGRUIO-CCEZHUSRSA-N 1 0 373.453 2.758 20 5 FFBDRO COc1cccc(C(=O)Nc2ccc(OCC[NH+](C)C)cc2)c1[N+](=O)[O-] ZINC000194068867 989147913 /nfs/dbraw/zinc/14/79/13/989147913.db2.gz XIPHSIUWRRLEFM-UHFFFAOYSA-N 1 0 359.382 2.796 20 5 FFBDRO CC(C)([NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)[C@H]1CCCCO1 ZINC000879406957 1015516824 /nfs/dbraw/zinc/51/68/24/1015516824.db2.gz LFUAHJNGVMOPFK-MRXNPFEDSA-N 1 0 363.414 2.830 20 5 FFBDRO CCOC(=O)CC[C@@H]1CCC[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000154878232 990556763 /nfs/dbraw/zinc/55/67/63/990556763.db2.gz YZXWYMAICBDBPG-AWEZNQCLSA-N 1 0 360.414 2.957 20 5 FFBDRO COc1ccc(-c2ccc(C[NH2+]CCO[C@@H]3CCOC3)o2)c([N+](=O)[O-])c1 ZINC000922939598 990750274 /nfs/dbraw/zinc/75/02/74/990750274.db2.gz RCJDOBMHYYHJIR-OAHLLOKOSA-N 1 0 362.382 2.759 20 5 FFBDRO CC(C)[C@H](C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[NH+]1CCCCC1 ZINC000920275778 990825021 /nfs/dbraw/zinc/82/50/21/990825021.db2.gz LDJCXPYDBSCUKK-LJQANCHMSA-N 1 0 374.485 2.754 20 5 FFBDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000920451838 990850936 /nfs/dbraw/zinc/85/09/36/990850936.db2.gz URKZVMZHKPAPTQ-OAHLLOKOSA-N 1 0 373.457 2.715 20 5 FFBDRO Cn1cc(C[NH2+]CCN2CCCCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237915298 991393131 /nfs/dbraw/zinc/39/31/31/991393131.db2.gz BXMCXYPTCLTXDD-UHFFFAOYSA-N 1 0 357.458 2.961 20 5 FFBDRO CC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[NH+](CCC2CCCCC2)CC1 ZINC001484135684 991406893 /nfs/dbraw/zinc/40/68/93/991406893.db2.gz DZVDKTDSVANSHF-IAGOWNOFSA-N 1 0 351.491 2.840 20 5 FFBDRO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000068964560 991554053 /nfs/dbraw/zinc/55/40/53/991554053.db2.gz PBCIAAFSNOMPBT-HUUCEWRRSA-N 1 0 373.457 2.919 20 5 FFBDRO Cn1cc(C2C[C@H]3CC[C@@H](C2)[N@H+]3C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000880518462 1015862181 /nfs/dbraw/zinc/86/21/81/1015862181.db2.gz JQZACTMNCIPDBJ-DPGVMXDBSA-N 1 0 356.426 2.772 20 5 FFBDRO CCOc1cc(C(=O)O[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])cc1OC ZINC000810846305 994953240 /nfs/dbraw/zinc/95/32/40/994953240.db2.gz IROBERZTOZKVKJ-OLZOCXBDSA-N 1 0 364.398 2.786 20 5 FFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N(CC[NH2+]CCC1CC1)Cc1cccc(Cl)c1 ZINC001133395907 995497620 /nfs/dbraw/zinc/49/76/20/995497620.db2.gz HTDPWRYOGDQQGK-IAGOWNOFSA-N 1 0 365.861 2.724 20 5 FFBDRO O=C(O[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1)C1CC[NH+](C2CC2)CC1 ZINC000813173126 995633314 /nfs/dbraw/zinc/63/33/14/995633314.db2.gz WTYHBWMAXKGOSI-IBGZPJMESA-N 1 0 373.453 2.587 20 5 FFBDRO CC1(C)CC(C[N@@H+]2Cc3ccc(CNC(=O)[C@@H]4C[C@H]4[N+](=O)[O-])cc3C2)C1 ZINC001054264968 1015996286 /nfs/dbraw/zinc/99/62/86/1015996286.db2.gz XTHMCDTXLRHQFL-QZTJIDSGSA-N 1 0 357.454 2.720 20 5 FFBDRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000824853422 997110795 /nfs/dbraw/zinc/11/07/95/997110795.db2.gz FBZLRTGGECLZDE-IBGZPJMESA-N 1 0 369.421 2.540 20 5 FFBDRO C[C@H]1CCC[C@H](C)[NH+]1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000731212812 997742304 /nfs/dbraw/zinc/74/23/04/997742304.db2.gz GBVBDSCDOSNTQE-HOTGVXAUSA-N 1 0 360.458 2.506 20 5 FFBDRO COc1ccc(C2CC[NH+](C[C@H](O)c3cccc([N+](=O)[O-])c3)CC2)nc1 ZINC000844350897 997820623 /nfs/dbraw/zinc/82/06/23/997820623.db2.gz LQKIDZWQCKOKBY-IBGZPJMESA-N 1 0 357.410 2.911 20 5 FFBDRO CCC(C)(C)[NH+]1CCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 ZINC001144205178 998150838 /nfs/dbraw/zinc/15/08/38/998150838.db2.gz JYXWYFUSBHBEMC-UHFFFAOYSA-N 1 0 358.442 2.882 20 5 FFBDRO COc1cc(CN2CCC[C@H]3CC[C@@]32C[NH3+])c([N+](=O)[O-])cc1OC(F)F ZINC000903796583 1016205340 /nfs/dbraw/zinc/20/53/40/1016205340.db2.gz ALNUWHPJTLXLSV-YVEFUNNKSA-N 1 0 371.384 2.908 20 5 FFBDRO CN(C(=O)c1ccc([N+](=O)[O-])cc1F)c1ccc(OCC[NH+](C)C)cc1 ZINC000732004144 998391133 /nfs/dbraw/zinc/39/11/33/998391133.db2.gz QEAQKYKVIVTBLT-UHFFFAOYSA-N 1 0 361.373 2.951 20 5 FFBDRO CC1CCC([NH+]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3N(C)C)CC2)CC1 ZINC000734400993 999278733 /nfs/dbraw/zinc/27/87/33/999278733.db2.gz QJFDHYVYUABMKH-UHFFFAOYSA-N 1 0 374.485 2.997 20 5 FFBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000741255617 999716905 /nfs/dbraw/zinc/71/69/05/999716905.db2.gz HOUHEVLPMAGQGA-OXJNMPFZSA-N 1 0 355.438 2.974 20 5 FFBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000741255615 999716999 /nfs/dbraw/zinc/71/69/99/999716999.db2.gz HOUHEVLPMAGQGA-JXFKEZNVSA-N 1 0 355.438 2.974 20 5 FFBDRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2ccc(C3CCC3)cc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001086082834 999754557 /nfs/dbraw/zinc/75/45/57/999754557.db2.gz FKCXPHOYIUDLLU-ZWQIFLOQSA-N 1 0 357.454 2.604 20 5 FFBDRO Cc1c(CO)cc([N+](=O)[O-])c(N(C)CC[C@H]2CCCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000742419037 999773110 /nfs/dbraw/zinc/77/31/10/999773110.db2.gz PEFZUCPCUCJGLA-CQSZACIVSA-N 1 0 366.418 2.614 20 5 FFBDRO COc1ccc(OCCOC(=O)[C@@H](C)[NH+]2CCCCCC2)c([N+](=O)[O-])c1 ZINC000745096056 999892577 /nfs/dbraw/zinc/89/25/77/999892577.db2.gz UADIPXBNXVYMFU-CQSZACIVSA-N 1 0 366.414 2.790 20 5 FFBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000745943341 999938235 /nfs/dbraw/zinc/93/82/35/999938235.db2.gz BKAQEOJSPKZDSW-HNNXBMFYSA-N 1 0 365.430 2.915 20 5 FFBDRO CC(C)(C)OC(=O)c1ccc(-n2cc3c(n2)CC[C@@H]([NH3+])C3)cc1[N+](=O)[O-] ZINC001168822401 999999641 /nfs/dbraw/zinc/99/96/41/999999641.db2.gz VZECODBZFXJOLM-GFCCVEGCSA-N 1 0 358.398 2.552 20 5 FFBDRO CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](C[NH2+][C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC[C@@H]2C1 ZINC001168965012 1000013194 /nfs/dbraw/zinc/01/31/94/1000013194.db2.gz XHSLQULTXSRVMA-MZBWOGCUSA-N 1 0 367.490 2.915 20 5 FFBDRO CC(C)(C)OC(=O)Nc1cc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)ccn1 ZINC001168969033 1000013254 /nfs/dbraw/zinc/01/32/54/1000013254.db2.gz BNZDAKMLICURRB-UONOGXRCSA-N 1 0 350.419 2.964 20 5 FFBDRO O=C(c1ccc(F)cc1)N1CCC(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168993594 1000014056 /nfs/dbraw/zinc/01/40/56/1000014056.db2.gz NLRFJWOKVPUFBB-QAPCUYQASA-N 1 0 363.433 2.713 20 5 FFBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H]2CCN(Cc3ccccc3)CC2(F)F)C1 ZINC001169001698 1000014755 /nfs/dbraw/zinc/01/47/55/1000014755.db2.gz HOJANDHRHNDMHJ-ZACQAIPSSA-N 1 0 353.413 2.931 20 5 FFBDRO C[C@@H]1CC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001169006444 1000015006 /nfs/dbraw/zinc/01/50/06/1000015006.db2.gz IHVGHETWZLSZTQ-FXUDXRNXSA-N 1 0 355.479 2.915 20 5 FFBDRO CC(C)(C)OC(=O)N1CC[C@]12CCC[N@@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169011023 1000015241 /nfs/dbraw/zinc/01/52/41/1000015241.db2.gz HJVQLCGPXUFKPK-DAYGRLMNSA-N 1 0 353.463 2.907 20 5 FFBDRO CC(C)(C)OC(=O)N1CC2(C1)CC[NH+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169011049 1000015402 /nfs/dbraw/zinc/01/54/02/1000015402.db2.gz HTWVRPOVNAIIRC-HUUCEWRRSA-N 1 0 353.463 2.765 20 5 FFBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]C2CCN(c3cnc4ccccc4n3)CC2)C1 ZINC001168988187 1000015901 /nfs/dbraw/zinc/01/59/01/1000015901.db2.gz OTZXYPXANCMFHP-GOEBONIOSA-N 1 0 355.442 2.634 20 5 FFBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C2CCN(Cc3cc(F)cc(F)c3)CC2)C1 ZINC001168990668 1000016198 /nfs/dbraw/zinc/01/61/98/1000016198.db2.gz CZOVTOMACAEAFV-ACJLOTCBSA-N 1 0 353.413 2.964 20 5 FFBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCC3(CCN(c4ncccn4)CC3)CC2)C1 ZINC001169018915 1000017317 /nfs/dbraw/zinc/01/73/17/1000017317.db2.gz DIZZPIASWKNXKR-SJORKVTESA-N 1 0 359.474 2.604 20 5 FFBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2CCc3ncnc(-c4ccccc4)c3CC2)C1 ZINC001169024875 1000018307 /nfs/dbraw/zinc/01/83/07/1000018307.db2.gz RWTBWFNMDFWFFV-RDJZCZTQSA-N 1 0 352.438 2.990 20 5 FFBDRO COc1ccc2c(c1)c(CC[NH3+])c(C)n2-c1ncnc2[nH]cc([N+](=O)[O-])c21 ZINC001169175875 1000030909 /nfs/dbraw/zinc/03/09/09/1000030909.db2.gz SEQPCYMISYDWOZ-UHFFFAOYSA-N 1 0 366.381 2.628 20 5 FFBDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC001147162866 1000837012 /nfs/dbraw/zinc/83/70/12/1000837012.db2.gz DGHGLIWHNNMARG-CYBMUJFWSA-N 1 0 353.850 2.981 20 5 FFBDRO COC(=O)c1cc(C)nc(-n2c(CC[NH3+])cc3ccccc32)c1[N+](=O)[O-] ZINC001171302429 1000872189 /nfs/dbraw/zinc/87/21/89/1000872189.db2.gz NXNVAUZZCQMJLH-UHFFFAOYSA-N 1 0 354.366 2.530 20 5 FFBDRO Cc1ccc(NC(=O)[C@H]([NH2+][C@@H](CO)C2CC2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000771810200 1001215059 /nfs/dbraw/zinc/21/50/59/1001215059.db2.gz XRHBRIOCJNRTNC-PKOBYXMFSA-N 1 0 369.421 2.944 20 5 FFBDRO CC[NH+](CC)CC1CCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000746520252 1001249286 /nfs/dbraw/zinc/24/92/86/1001249286.db2.gz QECYQKQLMZWLKV-UHFFFAOYSA-N 1 0 373.457 2.525 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)CN2CCC[C@@H](Oc3ncccc3F)C2)cc1 ZINC000785841256 1001492260 /nfs/dbraw/zinc/49/22/60/1001492260.db2.gz QTPRTXSGJQCJGO-NVXWUHKLSA-N 1 0 361.373 2.706 20 5 FFBDRO O=C(OCCC[NH+]1CCCC1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000787971582 1001738542 /nfs/dbraw/zinc/73/85/42/1001738542.db2.gz TUADDTHRWTVNQE-UHFFFAOYSA-N 1 0 361.442 2.840 20 5 FFBDRO CCOc1cc([N+](=O)[O-])c(C(=O)O[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1OC ZINC000788113775 1001763642 /nfs/dbraw/zinc/76/36/42/1001763642.db2.gz BWRPFHAQPZZLTL-STQMWFEESA-N 1 0 364.398 2.786 20 5 FFBDRO C[C@@H]([NH2+]C[C@H](CO)Cc1ccc(F)c(F)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788776733 1001872655 /nfs/dbraw/zinc/87/26/55/1001872655.db2.gz MIQPLOVWYSQWFI-DGCLKSJQSA-N 1 0 365.380 2.957 20 5 FFBDRO C[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000774356188 1001891924 /nfs/dbraw/zinc/89/19/24/1001891924.db2.gz OBGCHCKTJPWMIA-HZSPNIEDSA-N 1 0 367.450 2.778 20 5 FFBDRO Cc1ccc2c(=O)c3cccc(CC(=O)N4CC(N(C)C)C4)c3oc2c1C ZINC001182505786 1001937898 /nfs/dbraw/zinc/93/78/98/1001937898.db2.gz HIRYDNNWRHRSFV-UHFFFAOYSA-N 1 0 364.445 2.878 20 5 FFBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)[NH+]1CCC(C)CC1 ZINC000791214215 1002621924 /nfs/dbraw/zinc/62/19/24/1002621924.db2.gz BKQNUKKKURZPLL-CYBMUJFWSA-N 1 0 366.437 2.650 20 5 FFBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000791325892 1002654545 /nfs/dbraw/zinc/65/45/45/1002654545.db2.gz VHFVHHIOLSNFCN-CQSZACIVSA-N 1 0 372.400 2.711 20 5 FFBDRO C[N@@H+]1CCC[C@H]2CN(c3c4cc([N+](=O)[O-])ccc4ncc3[N+](=O)[O-])CC[C@@H]21 ZINC001185701245 1003026570 /nfs/dbraw/zinc/02/65/70/1003026570.db2.gz FTCIVELAEORKBH-LRDDRELGSA-N 1 0 371.397 2.972 20 5 FFBDRO Cc1c(NC(=O)[C@H](C)OC(=O)c2ccc3c[nH+]cn3c2)cccc1[N+](=O)[O-] ZINC000792554140 1003033353 /nfs/dbraw/zinc/03/33/53/1003033353.db2.gz WQXKGTYAUDCSTB-LBPRGKRZSA-N 1 0 368.349 2.735 20 5 FFBDRO COc1ccc(C[C@H](C)[NH2+]CC(=O)N(C)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC001170297702 1003092110 /nfs/dbraw/zinc/09/21/10/1003092110.db2.gz QTDRACVGAZATAH-HNNXBMFYSA-N 1 0 371.437 2.783 20 5 FFBDRO COc1cccc(C[C@@H](CO)[NH2+][C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])c1 ZINC001170304287 1003093374 /nfs/dbraw/zinc/09/33/74/1003093374.db2.gz AYBXRZLHBMNCEY-YOEHRIQHSA-N 1 0 374.437 2.736 20 5 FFBDRO COc1ccc(C[C@@H](C)[NH2+]CCOc2ccc3c(c2)OCO3)c([N+](=O)[O-])c1 ZINC001170313511 1003103952 /nfs/dbraw/zinc/10/39/52/1003103952.db2.gz NQIDTJBUINXYAC-CYBMUJFWSA-N 1 0 374.393 2.932 20 5 FFBDRO COc1ccc(C[C@H](C)[NH2+]C2CCC3(CC2)OCCO3)c([N+](=O)[O-])c1 ZINC001170313022 1003104200 /nfs/dbraw/zinc/10/42/00/1003104200.db2.gz IWTVBGDWNNVYSP-ZDUSSCGKSA-N 1 0 350.415 2.810 20 5 FFBDRO COc1ccc(C[C@H](C)[NH2+]Cc2ccc(OC)c(OC)n2)c([N+](=O)[O-])c1 ZINC001170322923 1003111963 /nfs/dbraw/zinc/11/19/63/1003111963.db2.gz IQBZNACVKPJDOW-LBPRGKRZSA-N 1 0 361.398 2.736 20 5 FFBDRO Cn1cc(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc([N+](=O)[O-])c1=O ZINC001170330543 1003116257 /nfs/dbraw/zinc/11/62/57/1003116257.db2.gz ANQAATBAGYYVKA-XGWQRUHWSA-N 1 0 368.437 2.901 20 5 FFBDRO CCOC(=O)c1ccnc(C[NH2+][C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])c1 ZINC001170307556 1003120179 /nfs/dbraw/zinc/12/01/79/1003120179.db2.gz HLQGWRQTXIDKJN-CYBMUJFWSA-N 1 0 373.409 2.896 20 5 FFBDRO COc1ccc(C[C@H](C)N2CC3(C2)CC[N@H+](CC2CC2)C3)c([N+](=O)[O-])c1 ZINC001170339802 1003128501 /nfs/dbraw/zinc/12/85/01/1003128501.db2.gz JOMYZBLQGYCANG-HNNXBMFYSA-N 1 0 359.470 2.952 20 5 FFBDRO COc1ccc(C[C@H](C)N2CC([NH+]3CCC(F)CC3)C2)c([N+](=O)[O-])c1 ZINC001170344627 1003131425 /nfs/dbraw/zinc/13/14/25/1003131425.db2.gz DLMKZMUBMCHZKS-ZDUSSCGKSA-N 1 0 351.422 2.653 20 5 FFBDRO COc1ccc(C[C@H](C)N(c2ncccn2)[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001170347559 1003133214 /nfs/dbraw/zinc/13/32/14/1003133214.db2.gz RWOQIHIYGXNMIQ-GOEBONIOSA-N 1 0 371.441 2.583 20 5 FFBDRO COc1ccc(C[C@@H](C)[N@@H+]2CCC[C@H](Oc3cnccn3)C2)c([N+](=O)[O-])c1 ZINC001170351239 1003136903 /nfs/dbraw/zinc/13/69/03/1003136903.db2.gz BQLDCTXCJDZQON-PBHICJAKSA-N 1 0 372.425 2.868 20 5 FFBDRO CN(CCOCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC001196225900 1003710798 /nfs/dbraw/zinc/71/07/98/1003710798.db2.gz ALTNNYCBKLRLMC-UHFFFAOYSA-N 1 0 367.446 2.910 20 5 FFBDRO O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000804563325 1003727126 /nfs/dbraw/zinc/72/71/26/1003727126.db2.gz VKGDKRUXQKAGAD-CQSZACIVSA-N 1 0 364.402 2.584 20 5 FFBDRO CCCN(CC[NH+]1CCCCC1)C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000804567116 1003729195 /nfs/dbraw/zinc/72/91/95/1003729195.db2.gz LCIVGPKBXLIUNG-UHFFFAOYSA-N 1 0 367.421 2.837 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c1C ZINC001191896783 1003993876 /nfs/dbraw/zinc/99/38/76/1003993876.db2.gz SPBXFBYRGGMJNH-HOTGVXAUSA-N 1 0 367.471 2.507 20 5 FFBDRO COC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000775813175 1004466141 /nfs/dbraw/zinc/46/61/41/1004466141.db2.gz USLHBJMWFQKVJE-HUUCEWRRSA-N 1 0 365.430 2.820 20 5 FFBDRO O=C(C[N@@H+]1CCCc2ccccc2CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001194400308 1004722054 /nfs/dbraw/zinc/72/20/54/1004722054.db2.gz GRXNTICFDWZWLR-UHFFFAOYSA-N 1 0 365.433 2.975 20 5 FFBDRO CC(=O)c1ccc([N+](=O)[O-])cc1NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000808014205 1004738528 /nfs/dbraw/zinc/73/85/28/1004738528.db2.gz GIOHPHQYWUMUPY-SFHVURJKSA-N 1 0 369.421 2.976 20 5 FFBDRO CC(C)[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 ZINC000101955734 1004963199 /nfs/dbraw/zinc/96/31/99/1004963199.db2.gz HHASTNHLWYOQDC-UHFFFAOYSA-N 1 0 362.474 2.901 20 5 FFBDRO COc1cc(OC)cc(N2CC[C@@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2=O)c1 ZINC001200961244 1005148179 /nfs/dbraw/zinc/14/81/79/1005148179.db2.gz VRPHFQHOGRFOIJ-GOSISDBHSA-N 1 0 371.393 2.507 20 5 FFBDRO CCN(CC)C(=O)c1ccc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000776278001 1005336547 /nfs/dbraw/zinc/33/65/47/1005336547.db2.gz SDFNQNCEWGTPHY-IBGZPJMESA-N 1 0 371.437 2.900 20 5 FFBDRO C[N@@H+](Cc1ccc(C(=O)NC2CC2)cc1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776278938 1005345346 /nfs/dbraw/zinc/34/53/46/1005345346.db2.gz VFSVQELXXUFVSB-LJQANCHMSA-N 1 0 369.421 2.652 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@]34OCCC[C@H]3C4(F)F)CC2)cc1 ZINC000850534492 1005820450 /nfs/dbraw/zinc/82/04/50/1005820450.db2.gz NBHOCQOEOCHVPU-SJORKVTESA-N 1 0 367.396 2.968 20 5 FFBDRO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776580731 1005961081 /nfs/dbraw/zinc/96/10/81/1005961081.db2.gz ZHVKUBLQBCEJRC-QGPMSJSTSA-N 1 0 363.458 2.645 20 5 FFBDRO C[C@H]1CN(c2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)CC[N@@H+](C2CCC2)C1 ZINC000813630766 1006005479 /nfs/dbraw/zinc/00/54/79/1006005479.db2.gz QMLWQPYCKJGMQU-CQSZACIVSA-N 1 0 372.469 2.798 20 5 FFBDRO COC(=O)Cc1ccc(Nc2cnn(C3CC[NH+](C)CC3)c2)c([N+](=O)[O-])c1 ZINC001187305830 1006026970 /nfs/dbraw/zinc/02/69/70/1006026970.db2.gz IIUZZPRDRBCUBJ-UHFFFAOYSA-N 1 0 373.413 2.517 20 5 FFBDRO Cc1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)c(N)c([N+](=O)[O-])c1 ZINC000813828103 1006046830 /nfs/dbraw/zinc/04/68/30/1006046830.db2.gz ZOUUWSJRDVILMR-YOEHRIQHSA-N 1 0 368.437 2.878 20 5 FFBDRO C[N@H+](CCc1ccccc1)[C@@H]1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000852514276 1006062110 /nfs/dbraw/zinc/06/21/10/1006062110.db2.gz DWGUQWLZYQUOCP-NHCUHLMSSA-N 1 0 369.465 2.877 20 5 FFBDRO C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CCN1c1cc[nH+]cc1 ZINC000881630786 1006162645 /nfs/dbraw/zinc/16/26/45/1006162645.db2.gz NAUVXMVHZYSNPZ-ZOCIIQOWSA-N 1 0 366.421 2.831 20 5 FFBDRO COC(=O)c1cc(C)nc(N[C@H](CC[NH+](C)C)c2cccnc2)c1[N+](=O)[O-] ZINC001187678165 1006194591 /nfs/dbraw/zinc/19/45/91/1006194591.db2.gz XWWAREASCYMPRU-OAHLLOKOSA-N 1 0 373.413 2.585 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@H](c2ccncc2)C2(CO)CCC2)cc1 ZINC000853134553 1006309317 /nfs/dbraw/zinc/30/93/17/1006309317.db2.gz WIXHOVYSQVSQSQ-ZWKOTPCHSA-N 1 0 357.410 2.517 20 5 FFBDRO CC(C)Oc1nc(N2CCC[C@H]([NH2+]C3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000882726893 1006489826 /nfs/dbraw/zinc/48/98/26/1006489826.db2.gz GHDMUCAFPNXVLM-HNNXBMFYSA-N 1 0 364.446 2.514 20 5 FFBDRO C[C@H](c1ccccc1)[NH+]1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000882812157 1006514560 /nfs/dbraw/zinc/51/45/60/1006514560.db2.gz LJFUKNAWGPOROE-CQSZACIVSA-N 1 0 354.410 2.577 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000853746407 1006523634 /nfs/dbraw/zinc/52/36/34/1006523634.db2.gz IIFXUBRIPRECCJ-SNVBAGLBSA-N 1 0 366.374 2.574 20 5 FFBDRO C[C@H]([NH2+][C@H]1CCN(c2ccccc2F)C1=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815592445 1006701175 /nfs/dbraw/zinc/70/11/75/1006701175.db2.gz IZANBVZSIHPXHM-NHYWBVRUSA-N 1 0 358.373 2.772 20 5 FFBDRO O=[N+]([O-])c1ccc2c(cnn2C[N@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)c1 ZINC000776765610 1007036947 /nfs/dbraw/zinc/03/69/47/1007036947.db2.gz HALMXGIJXLVZBG-SFHVURJKSA-N 1 0 356.357 2.635 20 5 FFBDRO O=C(NCC1CC[NH+](Cc2ccncc2)CC1)c1cc([N+](=O)[O-])ccc1F ZINC000855528834 1007399518 /nfs/dbraw/zinc/39/95/18/1007399518.db2.gz ILVPDHQITJEMER-UHFFFAOYSA-N 1 0 372.400 2.771 20 5 FFBDRO C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000817288914 1007509274 /nfs/dbraw/zinc/50/92/74/1007509274.db2.gz OWMMJTVIQKUWMJ-UNEWFSDZSA-N 1 0 364.442 2.928 20 5 FFBDRO C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000817288626 1007510319 /nfs/dbraw/zinc/51/03/19/1007510319.db2.gz JUFLLAHKEMXUEE-UNEWFSDZSA-N 1 0 364.442 2.928 20 5 FFBDRO [NH3+]C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)C1CCCC1 ZINC000818002215 1007831798 /nfs/dbraw/zinc/83/17/98/1007831798.db2.gz XCSZMWVZQYHOHH-QGZVFWFLSA-N 1 0 360.458 2.832 20 5 FFBDRO O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000818017417 1007840362 /nfs/dbraw/zinc/84/03/62/1007840362.db2.gz HERIOWMYKDEJKK-LJQANCHMSA-N 1 0 358.442 2.553 20 5 FFBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000856476575 1007845336 /nfs/dbraw/zinc/84/53/36/1007845336.db2.gz ZWITVMRHHXXPKL-HNNXBMFYSA-N 1 0 360.458 2.513 20 5 FFBDRO CN(C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)C1CCC([NH3+])CC1 ZINC000818530347 1007926270 /nfs/dbraw/zinc/92/62/70/1007926270.db2.gz UNKRIFWNLSLMTE-UHFFFAOYSA-N 1 0 360.458 2.927 20 5 FFBDRO O=C(Nc1ccccc1C(=O)OC1CC[NH2+]CC1)c1ccccc1[N+](=O)[O-] ZINC000818538776 1007935631 /nfs/dbraw/zinc/93/56/31/1007935631.db2.gz AFLVNFQVBPWPNH-UHFFFAOYSA-N 1 0 369.377 2.756 20 5 FFBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)C1 ZINC000818565005 1007944858 /nfs/dbraw/zinc/94/48/58/1007944858.db2.gz KPQCRDKJEUSWHS-LSDHHAIUSA-N 1 0 360.458 2.640 20 5 FFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]Cc2ccnc(N3CCCCC3)c2)c1 ZINC000818963834 1007979927 /nfs/dbraw/zinc/97/99/27/1007979927.db2.gz BSDXFWAFHWFFOA-SFHVURJKSA-N 1 0 356.426 2.803 20 5 FFBDRO Cc1ccc([C@H](C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)N2CCCC2)o1 ZINC000818997297 1008004184 /nfs/dbraw/zinc/00/41/84/1008004184.db2.gz XGRNJHKESQFVRS-ZWKOTPCHSA-N 1 0 359.426 2.956 20 5 FFBDRO COc1cccc(N2CCC[C@@H]([NH2+]C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)c1 ZINC000819082424 1008029301 /nfs/dbraw/zinc/02/93/01/1008029301.db2.gz TUQMSWSMSAWAGQ-OXQOHEQNSA-N 1 0 371.437 2.895 20 5 FFBDRO CN(C)C(=O)Nc1cccc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000819102550 1008034563 /nfs/dbraw/zinc/03/45/63/1008034563.db2.gz LLHUEXIKDZPZBN-QGZVFWFLSA-N 1 0 358.398 2.512 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2CCN(c3c(F)cccc3F)C2)cc1 ZINC000819147902 1008043014 /nfs/dbraw/zinc/04/30/14/1008043014.db2.gz XIHJJVKMWORDGQ-CXAGYDPISA-N 1 0 363.364 2.775 20 5 FFBDRO Cn1nccc1[C@H](O)C1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000857061966 1008048799 /nfs/dbraw/zinc/04/87/99/1008048799.db2.gz XENGAKAPHQVQQI-FHHGHWCOSA-N 1 0 356.426 2.787 20 5 FFBDRO Cc1ccc(C2=NO[C@@H](C[NH2+]C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000819292664 1008084492 /nfs/dbraw/zinc/08/44/92/1008084492.db2.gz VMUUGWWRGDZSJD-IEBWSBKVSA-N 1 0 355.394 2.719 20 5 FFBDRO O=C(Nc1ccccc1)N1CC[C@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819294290 1008087269 /nfs/dbraw/zinc/08/72/69/1008087269.db2.gz KIBWAOZKWZBROO-FUHWJXTLSA-N 1 0 370.409 2.524 20 5 FFBDRO CN(C)C(=O)Nc1ccc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000819279692 1008098696 /nfs/dbraw/zinc/09/86/96/1008098696.db2.gz PRPSARYEQPVMDT-KRWDZBQOSA-N 1 0 358.398 2.512 20 5 FFBDRO C[NH+](C)[C@@H]1CCc2ccccc2N(C(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000857932178 1008250677 /nfs/dbraw/zinc/25/06/77/1008250677.db2.gz QLPDUAWSZINRHB-QGZVFWFLSA-N 1 0 369.421 2.883 20 5 FFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C(c1ccnn1C)c1ccnn1C ZINC000858581258 1008385492 /nfs/dbraw/zinc/38/54/92/1008385492.db2.gz GYCREIKJZOVAKX-CQSZACIVSA-N 1 0 368.441 2.762 20 5 FFBDRO C[C@@H]([NH2+]CC[C@@H](O)COCc1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000858594901 1008388143 /nfs/dbraw/zinc/38/81/43/1008388143.db2.gz JTKZNSWDALUFIH-RHSMWYFYSA-N 1 0 359.426 2.795 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@@H](O)Cc2ccccc2F)n1 ZINC000886675233 1008812029 /nfs/dbraw/zinc/81/20/29/1008812029.db2.gz YUQDTGWBAODFGO-BHYGNILZSA-N 1 0 362.405 2.607 20 5 FFBDRO CC(C)c1cccc(C[NH2+]CCCCCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC001178458459 1008994534 /nfs/dbraw/zinc/99/45/34/1008994534.db2.gz HYMAWQQTKNCZBP-SJLPKXTDSA-N 1 0 362.474 2.636 20 5 FFBDRO CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000823811876 1009230454 /nfs/dbraw/zinc/23/04/54/1009230454.db2.gz CAROBVXNWFMYQH-KXBFYZLASA-N 1 0 361.442 2.984 20 5 FFBDRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000861496387 1009438552 /nfs/dbraw/zinc/43/85/52/1009438552.db2.gz AAVFTHQZGVBWHC-HNNXBMFYSA-N 1 0 359.426 2.571 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCN2CCc3ccccc32)n1 ZINC000774141370 1010477526 /nfs/dbraw/zinc/47/75/26/1010477526.db2.gz CBKMNAIQDSZZQU-SJLPKXTDSA-N 1 0 355.442 2.927 20 5 FFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1ccc2oc(=O)n(C)c2c1 ZINC000866398436 1010987287 /nfs/dbraw/zinc/98/72/87/1010987287.db2.gz PCXPRDMRDIWJSR-LLVKDONJSA-N 1 0 359.357 2.900 20 5 FFBDRO C[N@@H+]1CC[C@H]2CN(C(=O)NCCCCc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000868309207 1011239878 /nfs/dbraw/zinc/23/98/78/1011239878.db2.gz GWNGTNSAJGSUQM-WMZOPIPTSA-N 1 0 360.458 2.653 20 5 FFBDRO C[NH+]1CCC(n2cc(NC(=O)[C@H]3C[C@H]3c3cccc([N+](=O)[O-])c3)cn2)CC1 ZINC000828097819 1032597065 /nfs/dbraw/zinc/59/70/65/1032597065.db2.gz GNSOXLQOGHEOIQ-ROUUACIJSA-N 1 0 369.425 2.800 20 5 FFBDRO O=C(C[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1)NCc1ccccc1 ZINC001172898069 1012072605 /nfs/dbraw/zinc/07/26/05/1012072605.db2.gz FZFHVIZWGHDJEY-GOSISDBHSA-N 1 0 353.422 2.748 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@H]1CCCN(c3cnccn3)C1)CC2 ZINC001172900392 1012075465 /nfs/dbraw/zinc/07/54/65/1012075465.db2.gz DDUSYKJLRXCKBH-ROUUACIJSA-N 1 0 367.453 2.891 20 5 FFBDRO O=C1CCCC2(CC[NH+]([C@H]3CCc4ccc([N+](=O)[O-])cc4CC3)CC2)N1 ZINC001172907383 1012081397 /nfs/dbraw/zinc/08/13/97/1012081397.db2.gz KWUGWVGXRZCJKF-KRWDZBQOSA-N 1 0 357.454 2.977 20 5 FFBDRO CCOC(=O)C1=C(O)CC[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172911668 1012125543 /nfs/dbraw/zinc/12/55/43/1012125543.db2.gz UUKMKJCXNPSPBS-SJLPKXTDSA-N 1 0 374.437 2.686 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH2+]C3(CO)CCCC3)CC2)c(F)c1 ZINC001173010895 1012181302 /nfs/dbraw/zinc/18/13/02/1012181302.db2.gz KVVWRVJYENLYCU-UHFFFAOYSA-N 1 0 355.385 2.737 20 5 FFBDRO COC1CC(C[NH2+]C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)C1 ZINC001173011338 1012181416 /nfs/dbraw/zinc/18/14/16/1012181416.db2.gz AZWNYSLTHFQGBH-UHFFFAOYSA-N 1 0 355.385 2.856 20 5 FFBDRO C[C@H]1C[C@H]([NH2+]C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)CCO1 ZINC001173011644 1012182265 /nfs/dbraw/zinc/18/22/65/1012182265.db2.gz FVCATQYZNGFGBL-WCQYABFASA-N 1 0 355.385 2.999 20 5 FFBDRO Cc1ccc(-c2nc(-c3ccc4c(n3)CC[NH2+]C4)no2)c([N+](=O)[O-])c1C ZINC001217105577 1032610829 /nfs/dbraw/zinc/61/08/29/1032610829.db2.gz TWIRKYQBVSIDPO-UHFFFAOYSA-N 1 0 351.366 2.969 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@@H](CO)Cc2ccccc2)c1F ZINC001173176368 1012319660 /nfs/dbraw/zinc/31/96/60/1012319660.db2.gz HZIJOYVIKZKCBN-DZGCQCFKSA-N 1 0 362.401 2.867 20 5 FFBDRO CCOC(=O)[C@H]1CCC[C@@H]1[NH2+][C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173178508 1012322502 /nfs/dbraw/zinc/32/25/02/1012322502.db2.gz BTUYDKACUXWKJX-OBJOEFQTSA-N 1 0 368.405 2.995 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CCN2CCC[C@H](F)C2)c1F ZINC001173183700 1012326377 /nfs/dbraw/zinc/32/63/77/1012326377.db2.gz NGLDPEMGUOHSNQ-OLZOCXBDSA-N 1 0 357.401 2.697 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CCN(c3cc[nH+]cc3)CC2)c1F ZINC001173187331 1012329789 /nfs/dbraw/zinc/32/97/89/1012329789.db2.gz ZFNUFMLGOVOFAR-AWEZNQCLSA-N 1 0 374.416 2.891 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C2CCN(CCF)CC2)c1F ZINC001173193015 1012334186 /nfs/dbraw/zinc/33/41/86/1012334186.db2.gz SJJHECHFWFMMMQ-GFCCVEGCSA-N 1 0 357.401 2.697 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+]2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)c1F ZINC001173196576 1012341682 /nfs/dbraw/zinc/34/16/82/1012341682.db2.gz NSRSFARAJAPTBY-KKYDWHDCSA-N 1 0 350.390 2.783 20 5 FFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC001173215721 1012349932 /nfs/dbraw/zinc/34/99/32/1012349932.db2.gz YVLJXPLMDMVJLG-CRAIPNDOSA-N 1 0 353.422 2.917 20 5 FFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cn(Cc2ccncc2)cn1 ZINC001173220630 1012351642 /nfs/dbraw/zinc/35/16/42/1012351642.db2.gz DMMYNOPNGVALDT-HNNXBMFYSA-N 1 0 351.410 2.955 20 5 FFBDRO CCOC[C@H]1C[N@@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)Cc2c1cnn2C ZINC001173220682 1012352374 /nfs/dbraw/zinc/35/23/74/1012352374.db2.gz BUVZUAGKQMYRQU-GDBMZVCRSA-N 1 0 358.442 2.895 20 5 FFBDRO CCOC[C@@H]1C[N@@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)Cc2cnn(C)c21 ZINC001173224348 1012357688 /nfs/dbraw/zinc/35/76/88/1012357688.db2.gz JOYUKZMMMCRNJK-YOEHRIQHSA-N 1 0 358.442 2.895 20 5 FFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N(c1ncc(F)cn1)C1CC[NH2+]CC1 ZINC001173231002 1012363445 /nfs/dbraw/zinc/36/34/45/1012363445.db2.gz IFUZMDYIOPQGBB-CYBMUJFWSA-N 1 0 359.405 2.714 20 5 FFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@H]2CN(c3cccnc3)C(=O)[C@H]2C1 ZINC001173228832 1012364969 /nfs/dbraw/zinc/36/49/69/1012364969.db2.gz ZDNQKYSFLQGVIP-QOKNQOGYSA-N 1 0 366.421 2.516 20 5 FFBDRO COc1ccc(OC[C@H](O)C[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001173212634 1012369822 /nfs/dbraw/zinc/36/98/22/1012369822.db2.gz BVAIDSDEGVHCOK-RHSMWYFYSA-N 1 0 360.410 2.564 20 5 FFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](NC(=O)c2cccnc2)C1 ZINC001173238504 1012384783 /nfs/dbraw/zinc/38/47/83/1012384783.db2.gz UFPWXCKJPPUMOU-MAUKXSAKSA-N 1 0 368.437 2.815 20 5 FFBDRO C[NH+](C)C1(C)CCC(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000871361270 1012884136 /nfs/dbraw/zinc/88/41/36/1012884136.db2.gz HOHREWDXABLWKK-UHFFFAOYSA-N 1 0 358.442 2.998 20 5 FFBDRO CCCC[N@H+](CC)C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001173697628 1012901533 /nfs/dbraw/zinc/90/15/33/1012901533.db2.gz UBVJQHMGWYVRRT-UHFFFAOYSA-N 1 0 369.487 2.870 20 5 FFBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)C1 ZINC001275748158 1012955707 /nfs/dbraw/zinc/95/57/07/1012955707.db2.gz IBKMLGQIQHCHBM-CQSZACIVSA-N 1 0 356.426 2.885 20 5 FFBDRO CC(C)(C)CC[N@@H+]1CCc2c(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cccc2C1 ZINC001051291132 1017271598 /nfs/dbraw/zinc/27/15/98/1017271598.db2.gz LLKOJSMRKORMMT-QZTJIDSGSA-N 1 0 359.470 2.762 20 5 FFBDRO Cc1c(C(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000748844524 1017702949 /nfs/dbraw/zinc/70/29/49/1017702949.db2.gz RNIXDWOWKWHWMM-CYBMUJFWSA-N 1 0 364.402 2.580 20 5 FFBDRO O=[N+]([O-])c1ccc2nc(-c3nc(-c4ccc5c(n4)CC[NH2+]C5)no3)ccc2c1 ZINC001217422743 1032728542 /nfs/dbraw/zinc/72/85/42/1032728542.db2.gz BYSOGBVBMFWKJZ-UHFFFAOYSA-N 1 0 374.360 2.901 20 5 FFBDRO CC(C)(C)OC(=O)N1CCC([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000749130933 1018351316 /nfs/dbraw/zinc/35/13/16/1018351316.db2.gz DYDHGAIGHNCZAR-MRXNPFEDSA-N 1 0 365.430 2.617 20 5 FFBDRO CCc1ccc(C(=O)N[C@@H](CC[NH+](C)C)c2cccnc2)cc1[N+](=O)[O-] ZINC000928838592 1019155168 /nfs/dbraw/zinc/15/51/68/1019155168.db2.gz LVYXXVPXCIMHKG-KRWDZBQOSA-N 1 0 356.426 2.975 20 5 FFBDRO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000802018649 1019632639 /nfs/dbraw/zinc/63/26/39/1019632639.db2.gz RHXAOWKLWCPEEJ-ZIFCJYIRSA-N 1 0 354.410 2.682 20 5 FFBDRO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000802018646 1019633031 /nfs/dbraw/zinc/63/30/31/1019633031.db2.gz RHXAOWKLWCPEEJ-AOIWGVFYSA-N 1 0 354.410 2.682 20 5 FFBDRO C[NH+](C)CCOc1ccc(CCC(=O)NCc2cccc([N+](=O)[O-])c2)cc1 ZINC000930921782 1020239459 /nfs/dbraw/zinc/23/94/59/1020239459.db2.gz UVHGYODXGRSVBI-UHFFFAOYSA-N 1 0 371.437 2.784 20 5 FFBDRO CC[N@H+](CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O)C1CCCCC1 ZINC000726582968 1020488892 /nfs/dbraw/zinc/48/88/92/1020488892.db2.gz LFZMCRWBGJNOJF-UHFFFAOYSA-N 1 0 360.414 2.976 20 5 FFBDRO O=[N+]([O-])c1cc(O[C@@H]2CCC[NH2+]C[C@@H]2F)c(Br)cc1F ZINC001217944595 1032912806 /nfs/dbraw/zinc/91/28/06/1032912806.db2.gz FWVKLKFYFUGRLX-GXSJLCMTSA-N 1 0 351.147 2.965 20 5 FFBDRO O=c1c2cc(O[C@@H]3CCC[NH2+]C[C@@H]3F)c(O)cc2oc2cccc(O)c12 ZINC001217950225 1032915220 /nfs/dbraw/zinc/91/52/20/1032915220.db2.gz YGGWTJKGZHETQQ-SMDDNHRTSA-N 1 0 359.353 2.826 20 5 FFBDRO COc1cc([C@@H](C)[NH2+]CCc2nnc3n2CCCCC3)cc([N+](=O)[O-])c1 ZINC000903065772 1020659723 /nfs/dbraw/zinc/65/97/23/1020659723.db2.gz FZACLWYYVORLIA-CYBMUJFWSA-N 1 0 359.430 2.815 20 5 FFBDRO COc1cc([C@H](C)[NH2+][C@H]2CCO[C@H](c3nccn3C)C2)cc([N+](=O)[O-])c1 ZINC000903183676 1020727793 /nfs/dbraw/zinc/72/77/93/1020727793.db2.gz PVQWLOODRFVPNG-JDFRZJQESA-N 1 0 360.414 2.908 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H]1c1ccnn1C ZINC000932266318 1020759483 /nfs/dbraw/zinc/75/94/83/1020759483.db2.gz PZCIKFNGGNGNSS-KRWDZBQOSA-N 1 0 357.414 2.802 20 5 FFBDRO C[NH+](C)CC[C@H](N[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)c1cccnc1 ZINC000903381663 1020815909 /nfs/dbraw/zinc/81/59/09/1020815909.db2.gz YJILUSYDGYZVSW-OKZBNKHCSA-N 1 0 372.473 2.953 20 5 FFBDRO O=C(C[N@@H+]1CCC[C@H](C2CCOCC2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000933081778 1020954921 /nfs/dbraw/zinc/95/49/21/1020954921.db2.gz OLSKJVJHBFDCIE-KRWDZBQOSA-N 1 0 373.453 2.623 20 5 FFBDRO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000933777466 1021089002 /nfs/dbraw/zinc/08/90/02/1021089002.db2.gz SLWPNXRJGAMXTR-GOSISDBHSA-N 1 0 361.442 2.837 20 5 FFBDRO Cc1nn(C[N@@H+]2CCCN(c3ccccc3)CC2)c2ncc([N+](=O)[O-])cc12 ZINC000749944063 1021153979 /nfs/dbraw/zinc/15/39/79/1021153979.db2.gz KBJJSOSYYNXKMO-UHFFFAOYSA-N 1 0 366.425 2.818 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2Cc3ncccc3N3CCC[C@H]3C2)cc1 ZINC000934491660 1021259545 /nfs/dbraw/zinc/25/95/45/1021259545.db2.gz ZGBPUXYECMXUNW-QFBILLFUSA-N 1 0 354.410 2.508 20 5 FFBDRO Cc1ccc(C(=O)c2cc(O)c(O[C@H]3C[NH2+][C@H](C)C3)c([N+](=O)[O-])c2)cc1 ZINC001218037972 1032964625 /nfs/dbraw/zinc/96/46/25/1032964625.db2.gz UNSZIZRZWVYYGY-IUODEOHRSA-N 1 0 356.378 2.969 20 5 FFBDRO O=[N+]([O-])c1cc(Br)cc(O)c1O[C@@H]1CCC[C@]12CC[NH2+]C2 ZINC001218093526 1032991877 /nfs/dbraw/zinc/99/18/77/1032991877.db2.gz ATWJEZHTRUNFHU-TZMCWYRMSA-N 1 0 357.204 2.974 20 5 FFBDRO O=[N+]([O-])c1c2c(cc(Br)c1O[C@H]1C[C@H]3C[C@@H]1C[NH2+]3)CCC2 ZINC001218143881 1033016582 /nfs/dbraw/zinc/01/65/82/1033016582.db2.gz ZKMKSWQTQCQRGO-BREBYQMCSA-N 1 0 353.216 2.975 20 5 FFBDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C1 ZINC000750569260 1022186303 /nfs/dbraw/zinc/18/63/03/1022186303.db2.gz ZNCZTBKQDPGUKB-CQSZACIVSA-N 1 0 362.474 2.901 20 5 FFBDRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000750586839 1022209561 /nfs/dbraw/zinc/20/95/61/1022209561.db2.gz IJEQIQQRAPXOER-UHFFFAOYSA-N 1 0 367.409 2.805 20 5 FFBDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000155241451 1022230755 /nfs/dbraw/zinc/23/07/55/1022230755.db2.gz JQZPADGHZCPBKF-HNNXBMFYSA-N 1 0 368.437 2.914 20 5 FFBDRO Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2F)n(C2CC[NH+](C)CC2)n1 ZINC000750889113 1022722535 /nfs/dbraw/zinc/72/25/35/1022722535.db2.gz XICUKLJTGCBZKU-UHFFFAOYSA-N 1 0 361.377 2.758 20 5 FFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2CCC[C@@H](C1)[N@H+]2CC1CCC(F)(F)CC1 ZINC001039583328 1022768061 /nfs/dbraw/zinc/76/80/61/1022768061.db2.gz MPRKCZQONBFARW-QKPAOTATSA-N 1 0 371.428 2.542 20 5 FFBDRO C/C(=C\C(=O)N1CCC[N@H+](C[C@@H]2CCCO2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000751690049 1022911493 /nfs/dbraw/zinc/91/14/93/1022911493.db2.gz YEDWAWLCUWRYNG-IDCODDLRSA-N 1 0 373.453 2.711 20 5 FFBDRO C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N)C[N@@H+]1Cc1ccccc1 ZINC000188328644 1023056559 /nfs/dbraw/zinc/05/65/59/1023056559.db2.gz AJKOXLSZBHKRKE-UKRRQHHQSA-N 1 0 354.410 2.570 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N3CC[C@H]4CC[C@@]43C[NH3+])cc2[N+](=O)[O-])CC1 ZINC001122410163 1023251404 /nfs/dbraw/zinc/25/14/04/1023251404.db2.gz JNHRQPQTHPFLJQ-OXQOHEQNSA-N 1 0 372.469 2.785 20 5 FFBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(C[C@H](N)C(=O)OCc2ccccc2)cc1 ZINC001218354545 1033120904 /nfs/dbraw/zinc/12/09/04/1033120904.db2.gz BIFAILXPUXTYSM-UWJYYQICSA-N 1 0 371.501 2.773 20 5 FFBDRO C[C@H]1CC[C@@H](Oc2ccc([N+](=O)[O-])c(I)c2)C[NH2+]1 ZINC001218398269 1033138228 /nfs/dbraw/zinc/13/82/28/1033138228.db2.gz KVEPWELXGNUNBL-WCBMZHEXSA-N 1 0 362.167 2.719 20 5 FFBDRO COc1cc(O[C@@H]2CC[NH2+]C[C@H]2C)c2c(c1)oc1c(O)ccc(O)c1c2=O ZINC001218419088 1033148235 /nfs/dbraw/zinc/14/82/35/1033148235.db2.gz KHXXPAHRMVVQCI-QMTHXVAHSA-N 1 0 371.389 2.743 20 5 FFBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)[C@@H]3CCC[C@@H](F)C3)c2)CC1 ZINC001121159123 1023631015 /nfs/dbraw/zinc/63/10/15/1023631015.db2.gz DNHKTHCKTKKRHV-ZIAGYGMSSA-N 1 0 364.421 2.813 20 5 FFBDRO Cn1c(-c2csc([N+](=O)[O-])c2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001121263042 1023677180 /nfs/dbraw/zinc/67/71/80/1023677180.db2.gz SGESSYURBNPUML-UHFFFAOYSA-N 1 0 362.459 2.516 20 5 FFBDRO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)[C@@H]2C1 ZINC001123302014 1023731430 /nfs/dbraw/zinc/73/14/30/1023731430.db2.gz VGULQNHDBBOSEU-WCQGTBRESA-N 1 0 370.356 2.658 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@H+](CCc2ccccc2)[C@H]2CCOC2)c1 ZINC000246202586 1025871678 /nfs/dbraw/zinc/87/16/78/1025871678.db2.gz BEFQZYZZWWFTNH-VQTJNVASSA-N 1 0 356.422 2.962 20 5 FFBDRO O=C(CC[N@@H+]1C[C@@H](O)C[C@H]1c1ccccc1)Nc1cc([N+](=O)[O-])ccc1F ZINC000839635016 1026769143 /nfs/dbraw/zinc/76/91/43/1026769143.db2.gz FMAWLLVNTAXMMV-YJBOKZPZSA-N 1 0 373.384 2.870 20 5 FFBDRO CC1(C)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000839781734 1026824750 /nfs/dbraw/zinc/82/47/50/1026824750.db2.gz ZFPCKVGIPJZGJJ-QRVBRYPASA-N 1 0 371.481 2.801 20 5 FFBDRO COC(=O)[C@]1(C)CCC[N@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000840184319 1027003110 /nfs/dbraw/zinc/00/31/10/1027003110.db2.gz NOYGVUFXGCCAJW-GOSISDBHSA-N 1 0 358.398 2.691 20 5 FFBDRO CC(C)[C@@H](Nc1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-])c1ccc(F)cc1 ZINC001159061013 1027253159 /nfs/dbraw/zinc/25/31/59/1027253159.db2.gz FLFJQTUGBDVYHR-OAHLLOKOSA-N 1 0 374.420 2.743 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])cnc1-n1cc(C[C@@H](C)[NH3+])c2ccc(C)cc21 ZINC001160003972 1027560341 /nfs/dbraw/zinc/56/03/41/1027560341.db2.gz HMQDJVTXCFBBFO-GFCCVEGCSA-N 1 0 368.393 2.918 20 5 FFBDRO O=C(NCCC1=CC[N@H+](C/C=C\c2ccccc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001160096964 1027588304 /nfs/dbraw/zinc/58/83/04/1027588304.db2.gz CQHZEFXPEPAUSU-ZSKSOVMSSA-N 1 0 355.438 2.503 20 5 FFBDRO [NH3+]C[C@@H]1COc2ccccc2N1c1ccc(-c2ccc([N+](=O)[O-])cc2)nn1 ZINC001160199525 1027635096 /nfs/dbraw/zinc/63/50/96/1027635096.db2.gz HPVRBENHZNQWQD-OAHLLOKOSA-N 1 0 363.377 2.910 20 5 FFBDRO [NH3+]Cc1cc2ccncc2n1-c1cc([N+](=O)[O-])cc2c(Cl)ncnc21 ZINC001160966316 1027952327 /nfs/dbraw/zinc/95/23/27/1027952327.db2.gz ALVPHUWUOIHIRH-UHFFFAOYSA-N 1 0 354.757 2.989 20 5 FFBDRO [NH3+][C@H]1CC[C@H](N(c2ccncn2)c2ccc3[nH]cc([N+](=O)[O-])c3n2)CC1 ZINC001161365238 1028147559 /nfs/dbraw/zinc/14/75/59/1028147559.db2.gz DLMMRMHXMRVXPN-HAQNSBGRSA-N 1 0 353.386 2.669 20 5 FFBDRO C[NH+](C)CC(=O)N[C@H]1CC[C@H](Nc2ccc3ccc([N+](=O)[O-])cc3n2)CC1 ZINC001161665933 1028271431 /nfs/dbraw/zinc/27/14/31/1028271431.db2.gz JLAQUFZWISAAMJ-SHTZXODSSA-N 1 0 371.441 2.544 20 5 FFBDRO O=[N+]([O-])c1cc[n+]([O-])c(N[C@@H](CC2CC[NH2+]CC2)c2ccccc2F)c1 ZINC001162231725 1028477196 /nfs/dbraw/zinc/47/71/96/1028477196.db2.gz YZJDPYSKYYXGDM-KRWDZBQOSA-N 1 0 360.389 2.910 20 5 FFBDRO O=[N+]([O-])c1ccc2ccnc(-n3nc(C(F)(F)F)c4c3CC[NH2+]C4)c2c1 ZINC001154845605 1028480297 /nfs/dbraw/zinc/48/02/97/1028480297.db2.gz DTWDHGKAPVNAHP-UHFFFAOYSA-N 1 0 363.299 2.993 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(-n2nc(C(F)(F)F)c3c2CC[NH2+]C3)nc1Cl ZINC001154849464 1028482283 /nfs/dbraw/zinc/48/22/83/1028482283.db2.gz MFIPTMFKUXJWCR-UHFFFAOYSA-N 1 0 361.711 2.802 20 5 FFBDRO CC[N@@H+](Cc1ccc(C)cc1)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000957713033 1028581946 /nfs/dbraw/zinc/58/19/46/1028581946.db2.gz HXKJOJKDLCQJLM-RTBURBONSA-N 1 0 359.470 2.721 20 5 FFBDRO CCOC1(OCC)CC[NH2+]C[C@H]1Nc1ccc2c(cccc2[N+](=O)[O-])n1 ZINC001155227673 1028635289 /nfs/dbraw/zinc/63/52/89/1028635289.db2.gz PYSFYBJCMIJVPO-MRXNPFEDSA-N 1 0 360.414 2.686 20 5 FFBDRO C[C@H]([NH3+])c1nc2ccccc2n1-c1ccc([N+](=O)[O-])c2c1CCN(C)C2 ZINC001162778392 1028654142 /nfs/dbraw/zinc/65/41/42/1028654142.db2.gz KTRZNHFDJDYQLM-LBPRGKRZSA-N 1 0 351.410 2.941 20 5 FFBDRO [NH3+][C@H]1COC[C@H]1Nc1cc(Oc2ccnc(Cl)c2)c(F)cc1[N+](=O)[O-] ZINC001155345919 1028686633 /nfs/dbraw/zinc/68/66/33/1028686633.db2.gz OBHMJYCNEZFWOX-CMPLNLGQSA-N 1 0 368.752 2.713 20 5 FFBDRO O=[N+]([O-])c1ccc2ncc(NCC[C@@H]3C[NH2+]Cc4cccn4C3)nc2c1 ZINC001155453932 1028741242 /nfs/dbraw/zinc/74/12/42/1028741242.db2.gz MGQFRGCHNNJGGB-CYBMUJFWSA-N 1 0 352.398 2.561 20 5 FFBDRO Cc1ccc(-c2ccc(NCC[C@@H]3CCOC34C[NH2+]C4)nn2)cc1[N+](=O)[O-] ZINC001155479493 1028754607 /nfs/dbraw/zinc/75/46/07/1028754607.db2.gz YMLJQLQJUCGYCH-OAHLLOKOSA-N 1 0 369.425 2.541 20 5 FFBDRO CC(=O)Nc1ccc(NCC[C@H]2C[NH2+]Cc3cccn3C2)cc1[N+](=O)[O-] ZINC001163062864 1028782395 /nfs/dbraw/zinc/78/23/95/1028782395.db2.gz DITROZRJAYAHFH-AWEZNQCLSA-N 1 0 357.414 2.576 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ccc(NC[C@@H]3CO[C@]4(C3)CCC[NH2+]C4)nn2)cc1 ZINC001155597257 1028806942 /nfs/dbraw/zinc/80/69/42/1028806942.db2.gz LBBSABYLSKJDFF-KUHUBIRLSA-N 1 0 369.425 2.622 20 5 FFBDRO COC(=O)c1ccc([C@@H]([NH3+])CNc2cc([N+](=O)[O-])cc(Cl)n2)cc1 ZINC001163462266 1028934844 /nfs/dbraw/zinc/93/48/44/1028934844.db2.gz PRZXTVVDLDPHKV-LBPRGKRZSA-N 1 0 350.762 2.542 20 5 FFBDRO O=[N+]([O-])c1ccc2nc(-n3ccc4cc(N5CC[NH2+]CC5)ccc43)cnc2c1 ZINC001156207198 1029090285 /nfs/dbraw/zinc/09/02/85/1029090285.db2.gz VAEDIEARMKSCKJ-UHFFFAOYSA-N 1 0 374.404 2.892 20 5 FFBDRO CCOc1nc(-n2ccc3cc(N4CC[NH2+]CC4)ccc32)ccc1[N+](=O)[O-] ZINC001156215236 1029094572 /nfs/dbraw/zinc/09/45/72/1029094572.db2.gz GJRRCWKKKPNMPV-UHFFFAOYSA-N 1 0 367.409 2.742 20 5 FFBDRO O=[N+]([O-])c1c(Cl)ccnc1N1CCC(COCC[NH+]2CCCC2)CC1 ZINC001163879447 1029101670 /nfs/dbraw/zinc/10/16/70/1029101670.db2.gz IQXOEBUNMNEFRK-UHFFFAOYSA-N 1 0 368.865 2.972 20 5 FFBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC001164138044 1029184971 /nfs/dbraw/zinc/18/49/71/1029184971.db2.gz IUXARLFSEGKGCW-BBRMVZONSA-N 1 0 364.402 2.806 20 5 FFBDRO O=[N+]([O-])c1cc[n+]([O-])c(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)c1F ZINC001164486911 1029296304 /nfs/dbraw/zinc/29/63/04/1029296304.db2.gz SLRVCGFQLLCNQW-OWCLPIDISA-N 1 0 372.400 2.690 20 5 FFBDRO O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1N1C[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC001165089413 1029380308 /nfs/dbraw/zinc/38/03/08/1029380308.db2.gz UNOIPYHBRCXXLH-GDBMZVCRSA-N 1 0 374.828 2.592 20 5 FFBDRO COCCC[NH+]1CCN(c2cc(Cl)nc3ccc([N+](=O)[O-])cc32)CC1 ZINC001165096313 1029384180 /nfs/dbraw/zinc/38/41/80/1029384180.db2.gz GSMFPZRCVIDNCA-UHFFFAOYSA-N 1 0 364.833 2.955 20 5 FFBDRO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1N(C)c1ncc([N+](=O)[O-])cc1N ZINC001165181864 1029436669 /nfs/dbraw/zinc/43/66/69/1029436669.db2.gz RTNNQCSVBOIDRF-KDOFPFPSSA-N 1 0 355.442 2.919 20 5 FFBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C)n1 ZINC001157166329 1029489473 /nfs/dbraw/zinc/48/94/73/1029489473.db2.gz BLYYJFVOEOOIQM-JTQLQIEISA-N 1 0 373.841 2.598 20 5 FFBDRO C[C@@H]1C[N@H+](CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)[C@@H]2CCCC[C@@H]21 ZINC000782277748 1029637947 /nfs/dbraw/zinc/63/79/47/1029637947.db2.gz RUVBNDZSKGNWKI-KBRIMQKVSA-N 1 0 372.425 2.831 20 5 FFBDRO CCOC(=O)c1ccnc(N2C[C@H](CC[NH3+])c3ccccc32)c1[N+](=O)[O-] ZINC001157751141 1029655105 /nfs/dbraw/zinc/65/51/05/1029655105.db2.gz CGKWEJSLZIIBOJ-LBPRGKRZSA-N 1 0 356.382 2.751 20 5 FFBDRO COc1cccc(N(c2ncc(Cl)cc2[N+](=O)[O-])C2CC[NH2+]CC2)n1 ZINC001158054768 1029720650 /nfs/dbraw/zinc/72/06/50/1029720650.db2.gz URQSYUQNTDLAQC-UHFFFAOYSA-N 1 0 363.805 2.937 20 5 FFBDRO O=C(CC[NH2+][C@H](CO)c1ccc(F)cc1)Nc1cc([N+](=O)[O-])ccc1F ZINC000782532002 1029734171 /nfs/dbraw/zinc/73/41/71/1029734171.db2.gz VDCWBCDZHYDYMU-MRXNPFEDSA-N 1 0 365.336 2.525 20 5 FFBDRO CC(C)(C)[C@@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@H]1O ZINC000782531057 1029734748 /nfs/dbraw/zinc/73/47/48/1029734748.db2.gz LGLXVEGCKHWEER-CZUORRHYSA-N 1 0 367.421 2.791 20 5 FFBDRO O=C(CC[N@@H+]1CCC[C@@H](OCC2CC2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000782549835 1029742570 /nfs/dbraw/zinc/74/25/70/1029742570.db2.gz KBWHONAWLZDVMI-OAHLLOKOSA-N 1 0 365.405 2.954 20 5 FFBDRO [NH3+][C@H]1CC[C@H](N(Cc2cccnc2)c2ncc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001158166850 1029748778 /nfs/dbraw/zinc/74/87/78/1029748778.db2.gz ONZQPGUHKHKEDV-HDJSIYSDSA-N 1 0 372.385 2.570 20 5 FFBDRO COC(=O)c1cnc(N[C@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)c([N+](=O)[O-])c1 ZINC001158266907 1029778748 /nfs/dbraw/zinc/77/87/48/1029778748.db2.gz NLBWIUWCGMJVKH-YVEFUNNKSA-N 1 0 350.419 2.732 20 5 FFBDRO COc1ccc2c(c1)c(CC[NH3+])c(C)n2-c1ncc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001158292966 1029788404 /nfs/dbraw/zinc/78/84/04/1029788404.db2.gz SIWSOEUHNKSXDE-UHFFFAOYSA-N 1 0 371.353 2.660 20 5 FFBDRO Nc1ccc(C(=O)O[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000783442860 1030100816 /nfs/dbraw/zinc/10/08/16/1030100816.db2.gz AGYNIVNPOIUUKF-MRXNPFEDSA-N 1 0 355.394 2.998 20 5 FFBDRO Cc1cccc(N(c2cc(N)c([N+](=O)[O-])cn2)[C@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC001165772622 1030119203 /nfs/dbraw/zinc/11/92/03/1030119203.db2.gz HVAWTZPXOWYNAX-DNVCBOLYSA-N 1 0 369.425 2.540 20 5 FFBDRO CC(C)C[C@@H]([NH3+])c1noc(-c2cc([N+](=O)[O-])ccc2N2CCOCC2)n1 ZINC000842587404 1030799220 /nfs/dbraw/zinc/79/92/20/1030799220.db2.gz DTAAEXKUHLFIGG-CQSZACIVSA-N 1 0 361.402 2.527 20 5 FFBDRO C/C(=C/C(=O)OC[C@@H]1C[N@H+](CC(C)C)CCO1)c1ccc([N+](=O)[O-])cc1 ZINC000784870963 1030854675 /nfs/dbraw/zinc/85/46/75/1030854675.db2.gz JUGTWXMKMUZMFO-BXBOZWQASA-N 1 0 362.426 2.898 20 5 FFBDRO C[C@@H]1CC2(C[N@@H+]1Cn1cc([N+](=O)[O-])c(-c3ccncc3)n1)CCOCC2 ZINC000842637989 1030867037 /nfs/dbraw/zinc/86/70/37/1030867037.db2.gz HMGUKYRTJKOTEZ-CQSZACIVSA-N 1 0 357.414 2.702 20 5 FFBDRO O=[N+]([O-])c1ccccc1NCCc1noc([C@@H]2C[NH2+]Cc3ccccc32)n1 ZINC000843184661 1031227506 /nfs/dbraw/zinc/22/75/06/1031227506.db2.gz GSMSENDVJKLDIE-OAHLLOKOSA-N 1 0 365.393 2.868 20 5 FFBDRO Cc1cc(F)cc(C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)c1[N+](=O)[O-] ZINC000843501270 1031430332 /nfs/dbraw/zinc/43/03/32/1031430332.db2.gz HBSBYSRXIGOWQB-UHFFFAOYSA-N 1 0 361.417 2.926 20 5 FFBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)Cc3ccc(Cl)c([N+](=O)[O-])c3)CC[C@@H]21 ZINC001149656458 1031563094 /nfs/dbraw/zinc/56/30/94/1031563094.db2.gz WCOJVGJCEXQGHH-HIFRSBDPSA-N 1 0 351.834 2.733 20 5 FFBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)Cc3ccc(Cl)c([N+](=O)[O-])c3)CC[C@H]21 ZINC001149656460 1031563593 /nfs/dbraw/zinc/56/35/93/1031563593.db2.gz WCOJVGJCEXQGHH-UKRRQHHQSA-N 1 0 351.834 2.733 20 5 FFBDRO Cc1ccc(F)c(C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCCCC2)c1 ZINC001115530557 1031787711 /nfs/dbraw/zinc/78/77/11/1031787711.db2.gz DGNQXNAQLGZSOQ-NVXWUHKLSA-N 1 0 363.433 2.708 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC001151550972 1031982270 /nfs/dbraw/zinc/98/22/70/1031982270.db2.gz KEYXYOXUWZWYBY-DAXOMENPSA-N 1 0 367.833 2.572 20 5 FFBDRO CC(C)(C)CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@]2(C)C1 ZINC001276901469 1033500680 /nfs/dbraw/zinc/50/06/80/1033500680.db2.gz OJTJXKYTLXPXHU-RGCFKVTRSA-N 1 0 351.491 2.648 20 5 FFBDRO COCCC[NH+]1CCC(OCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001224100834 1033716477 /nfs/dbraw/zinc/71/64/77/1033716477.db2.gz MRMJDLURHZQTSU-UHFFFAOYSA-N 1 0 353.375 2.521 20 5 FFBDRO CSc1cc(C)nc(SC)c1NC(=O)CO[C@@H](C)C[N+](C)(C)C ZINC001225053494 1034107409 /nfs/dbraw/zinc/10/74/09/1034107409.db2.gz UJUFZUUBAGYCCQ-LBPRGKRZSA-O 1 0 358.553 2.884 20 5 FFBDRO O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000831698865 1034219463 /nfs/dbraw/zinc/21/94/63/1034219463.db2.gz BTGIAKXNIANHSB-MSOLQXFVSA-N 1 0 361.442 2.542 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1O[C@H]1COCC[N@H+](Cc2ccccc2)C1 ZINC001225616455 1034335893 /nfs/dbraw/zinc/33/58/93/1034335893.db2.gz QJWOLBACDCZQLT-QGZVFWFLSA-N 1 0 358.394 2.883 20 5 FFBDRO CC(=O)O[C@@H]1C[C@@H]2C[C@H](Oc3cc(Cl)ccc3[N+](=O)[O-])C[C@H]1[N@@H+]2C ZINC001225712899 1034378308 /nfs/dbraw/zinc/37/83/08/1034378308.db2.gz LMIRIIPJGGDIKA-CAVOSLQRSA-N 1 0 354.790 2.794 20 5 FFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC[C@@H]3CC4(CC[C@@H]32)OCCO4)c1 ZINC000832054884 1034523223 /nfs/dbraw/zinc/52/32/23/1034523223.db2.gz XBYXUTSNGXKQLK-NJAFHUGGSA-N 1 0 362.426 2.636 20 5 FFBDRO COCCC[NH+]1CCC(Oc2ncc([N+](=O)[O-])cc2Br)CC1 ZINC001226344212 1034639657 /nfs/dbraw/zinc/63/96/57/1034639657.db2.gz LQLJZLKTTFEWSY-UHFFFAOYSA-N 1 0 374.235 2.632 20 5 FFBDRO CC[N@@H+]1CC[C@@H](Oc2c(C(=O)OC)cc(Br)cc2[N+](=O)[O-])C1 ZINC001226358059 1034649657 /nfs/dbraw/zinc/64/96/57/1034649657.db2.gz OJWDNCJUIXGAAJ-SNVBAGLBSA-N 1 0 373.203 2.617 20 5 FFBDRO [NH3+]CCOc1cccc(NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)c1 ZINC000832603248 1034878981 /nfs/dbraw/zinc/87/89/81/1034878981.db2.gz FRTRWBQRWDWDOX-UHFFFAOYSA-N 1 0 358.398 2.763 20 5 FFBDRO Cc1c([N+](=O)[O-])cc(C(=O)NCCCCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000832883849 1035011316 /nfs/dbraw/zinc/01/13/16/1035011316.db2.gz ICCHTWMISSSUNI-UHFFFAOYSA-N 1 0 364.402 2.807 20 5 FFBDRO COC(=O)[C@H]1C[N@H+](Cc2ccc3ccc4cccnc4c3n2)CCCO1 ZINC001232229016 1035507408 /nfs/dbraw/zinc/50/74/08/1035507408.db2.gz XJLDTPBJLSRDAM-QGZVFWFLSA-N 1 0 351.406 2.547 20 5 FFBDRO CC[N@@H+]1CC[C@H](Oc2cc(OC)cc3oc4c(O)ccc(O)c4c(=O)c23)C1 ZINC001227647228 1035656014 /nfs/dbraw/zinc/65/60/14/1035656014.db2.gz XDPVWVLPQLBFKO-NSHDSACASA-N 1 0 371.389 2.839 20 5 FFBDRO CC(C)N1CC(Oc2ccc([N+](=O)[O-])c(I)c2)C1 ZINC001227994983 1035860010 /nfs/dbraw/zinc/86/00/10/1035860010.db2.gz QEJSRHJBXWBLFI-UHFFFAOYSA-N 1 0 362.167 2.671 20 5 FFBDRO O=[N+]([O-])c1cc([N+](=O)[O-])c(O[C@@H]2CCc3nccn3C2)c2ncccc12 ZINC001233906838 1036819470 /nfs/dbraw/zinc/81/94/70/1036819470.db2.gz ZJJGNCVBNLNBPQ-SNVBAGLBSA-N 1 0 355.310 2.642 20 5 FFBDRO CCOC(=O)C(CC)(CC)C[NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC001207033851 1037085674 /nfs/dbraw/zinc/08/56/74/1037085674.db2.gz BBCSRMQZPLNMMW-UHFFFAOYSA-N 1 0 354.403 2.768 20 5 FFBDRO O=[N+]([O-])c1cccc([N+](=O)[O-])c1O[C@H]1CC[C@H]([NH+]2CCOCC2)CC1 ZINC001230315619 1037217445 /nfs/dbraw/zinc/21/74/45/1037217445.db2.gz OCDBABMULVBQIR-JOCQHMNTSA-N 1 0 351.359 2.525 20 5 FFBDRO Cc1ccc(C(=O)c2ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)cc2)cc1 ZINC001231023527 1037438964 /nfs/dbraw/zinc/43/89/64/1037438964.db2.gz MRIGEYMSMUBUPL-GOSISDBHSA-N 1 0 356.442 2.589 20 5 FFBDRO COc1cc(N2CCC([NH2+]CCN3CCCCC3)CC2)ccc1[N+](=O)[O-] ZINC001256083888 1038368362 /nfs/dbraw/zinc/36/83/62/1038368362.db2.gz XDTGYSCGELLPQO-UHFFFAOYSA-N 1 0 362.474 2.648 20 5 FFBDRO CCCCN(C)CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC001256084751 1038369066 /nfs/dbraw/zinc/36/90/66/1038369066.db2.gz HIMHLUYCKBWMHK-UHFFFAOYSA-N 1 0 364.490 2.894 20 5 FFBDRO COc1cc(N2CCC([NH2+][C@@]3(C)CC[C@H](O)CC3)CC2)ccc1[N+](=O)[O-] ZINC001256092503 1038377878 /nfs/dbraw/zinc/37/78/78/1038377878.db2.gz POCVFZDWNPWBFP-RUCARUNLSA-N 1 0 363.458 2.855 20 5 FFBDRO COCC1CC[NH+](C2CCN(c3ccc([N+](=O)[O-])c(OC)c3)CC2)CC1 ZINC001256094533 1038379506 /nfs/dbraw/zinc/37/95/06/1038379506.db2.gz JJCFRIXQAHMROZ-UHFFFAOYSA-N 1 0 363.458 2.931 20 5 FFBDRO COc1cc(N2CCC([N@H+]3C[C@@H]4C(=O)CCC[C@@H]4C3)CC2)ccc1[N+](=O)[O-] ZINC001256103822 1038389559 /nfs/dbraw/zinc/38/95/59/1038389559.db2.gz PKJCJSUDIHNNRO-PBHICJAKSA-N 1 0 373.453 2.873 20 5 FFBDRO C[C@@H]1C[NH+](CCc2nnc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C[C@@H](C)O1 ZINC001258146636 1039227268 /nfs/dbraw/zinc/22/72/68/1039227268.db2.gz QAMRUINBCSQSKN-GHMZBOCLSA-N 1 0 366.805 2.950 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCNCc3ccccc3)CC2)cc1 ZINC001246166106 1039264984 /nfs/dbraw/zinc/26/49/84/1039264984.db2.gz NOOUONOWWYHVDB-UHFFFAOYSA-N 1 0 354.454 2.943 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CCC[C@@]3(CC[NH2+]C3)C2)c1F ZINC001246626642 1039420156 /nfs/dbraw/zinc/42/01/56/1039420156.db2.gz HGPSFURMHCPGSW-ACJLOTCBSA-N 1 0 351.422 2.749 20 5 FFBDRO COc1cc(N2CCC(N3CCCC[C@]34CC[NH2+]C4)CC2)ccc1[N+](=O)[O-] ZINC001246648975 1039427153 /nfs/dbraw/zinc/42/71/53/1039427153.db2.gz NVNACSPGQFUDNE-HXUWFJFHSA-N 1 0 374.485 2.790 20 5 FFBDRO CN(C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1)[C@@]1(C)CCC[NH2+]C1 ZINC001246917009 1039532320 /nfs/dbraw/zinc/53/23/20/1039532320.db2.gz YLCKEPKDLLJLLA-SFHVURJKSA-N 1 0 368.428 2.916 20 5 FFBDRO O=[N+]([O-])c1cc2c(cc1-c1nc3ccccc3n1[C@H]1CC[NH2+]C1)OCO2 ZINC001247047104 1039587136 /nfs/dbraw/zinc/58/71/36/1039587136.db2.gz JXJLHVXRIZZTDJ-NSHDSACASA-N 1 0 352.350 2.875 20 5 FFBDRO Cc1c(Cc2nc(-c3ccc4c(n3)CC[NH2+]C4)no2)cccc1[N+](=O)[O-] ZINC001248341248 1040237625 /nfs/dbraw/zinc/23/76/25/1040237625.db2.gz JFGOMILXFMNJJY-UHFFFAOYSA-N 1 0 351.366 2.585 20 5 FFBDRO O=C(C1CCC1)N1CC[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254469993 1040737269 /nfs/dbraw/zinc/73/72/69/1040737269.db2.gz LKDBSKLXBMGFOO-KRWDZBQOSA-N 1 0 372.469 2.554 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cn(Cc2ccccn2)cn1 ZINC001254544146 1040790620 /nfs/dbraw/zinc/79/06/20/1040790620.db2.gz HUPUUTSIHWGDEU-OAHLLOKOSA-N 1 0 351.410 2.955 20 5 FFBDRO CC(C)(C)OC(=O)N1CC(F)(C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254566297 1040801535 /nfs/dbraw/zinc/80/15/35/1040801535.db2.gz JICFXHDACATYRT-AWEZNQCLSA-N 1 0 365.405 2.611 20 5 FFBDRO CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254593983 1040821338 /nfs/dbraw/zinc/82/13/38/1040821338.db2.gz OTMBFGDDTXMBHI-IKGGRYGDSA-N 1 0 359.426 2.756 20 5 FFBDRO CCN(CC)C(=O)NC1CC[NH+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254611407 1040839568 /nfs/dbraw/zinc/83/95/68/1040839568.db2.gz QEUYQLGCWKYMBZ-GOSISDBHSA-N 1 0 360.458 2.578 20 5 FFBDRO COc1cccnc1O[C@@H]1CC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254611009 1040840111 /nfs/dbraw/zinc/84/01/11/1040840111.db2.gz NVCCHTVFNWVVKD-IAGOWNOFSA-N 1 0 355.394 2.619 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC001214521508 1041465665 /nfs/dbraw/zinc/46/56/65/1041465665.db2.gz RXXVZAGXFBGWQG-ZDUSSCGKSA-N 1 0 371.397 2.741 20 5 FFBDRO Cc1c([N+](=O)[O-])ccc(F)c1-c1nc(-c2ccc3c(n2)CC[NH2+]C3)no1 ZINC001216957176 1042171426 /nfs/dbraw/zinc/17/14/26/1042171426.db2.gz LLVKCDKEGDOUGV-UHFFFAOYSA-N 1 0 355.329 2.800 20 5 FFBDRO Cc1cccc(C(=O)Nc2cc(N3CC[NH+](C)CC3)ccc2[N+](=O)[O-])c1 ZINC001538737339 1070483553 /nfs/dbraw/zinc/48/35/53/1070483553.db2.gz RZRXCCKGOOSZKJ-UHFFFAOYSA-N 1 0 354.410 2.907 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccccc1N1CC[NH+](C)CC1 ZINC001318782459 1044872507 /nfs/dbraw/zinc/87/25/07/1044872507.db2.gz TXPPPLVTUQMOGQ-UHFFFAOYSA-N 1 0 370.409 2.608 20 5 FFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(CC[NH2+]CC/C=C/c2ccccc2)CC1 ZINC001318886463 1044923861 /nfs/dbraw/zinc/92/38/61/1044923861.db2.gz RNYRUKWZQBJQPZ-HNJWQCIISA-N 1 0 371.481 2.973 20 5 FFBDRO Cc1cccc(Cl)c1C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCC1 ZINC001319351237 1045119010 /nfs/dbraw/zinc/11/90/10/1045119010.db2.gz FYNXTZBHONFSCI-CZUORRHYSA-N 1 0 365.861 2.832 20 5 FFBDRO CC(C)(C)[NH+]1CCN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CC1 ZINC001317910097 1045168758 /nfs/dbraw/zinc/16/87/58/1045168758.db2.gz JFNDAESCECJCAC-UHFFFAOYSA-N 1 0 360.458 2.751 20 5 FFBDRO CC[NH+](CC)C1CCN(C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CC1 ZINC001320143400 1045356049 /nfs/dbraw/zinc/35/60/49/1045356049.db2.gz SLDQHECKLXJEME-UHFFFAOYSA-N 1 0 363.443 2.546 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH+]2CCC(n3cc(Cl)cn3)CC2)cc1 ZINC001320195798 1045366353 /nfs/dbraw/zinc/36/63/53/1045366353.db2.gz OMYTUYVPCRCLTL-MRXNPFEDSA-N 1 0 350.806 2.815 20 5 FFBDRO CC1(C)CC[N@H+](CCNC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC001539537480 1070654738 /nfs/dbraw/zinc/65/47/38/1070654738.db2.gz LVDPHIAXXZQLES-UHFFFAOYSA-N 1 0 370.247 2.819 20 5 FFBDRO Cc1c(NC(=O)NCC[NH+]2CC=CC2)cc(Br)cc1[N+](=O)[O-] ZINC001321107796 1045548462 /nfs/dbraw/zinc/54/84/62/1045548462.db2.gz XHULEWHUJWTCSQ-UHFFFAOYSA-N 1 0 369.219 2.659 20 5 FFBDRO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC001322682274 1046179161 /nfs/dbraw/zinc/17/91/61/1046179161.db2.gz ZVMIAMMMJPPDEH-JKSUJKDBSA-N 1 0 360.458 2.798 20 5 FFBDRO CS[C@H]1CN(c2ncnc3c(Cl)cc([N+](=O)[O-])cc32)C[C@H]1[NH+](C)C ZINC001327662488 1047987072 /nfs/dbraw/zinc/98/70/72/1047987072.db2.gz ZDMUIOHNGUAVST-OLZOCXBDSA-N 1 0 367.862 2.673 20 5 FFBDRO O=C(c1ccccc1)N1CCC[C@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001331962481 1048188724 /nfs/dbraw/zinc/18/87/24/1048188724.db2.gz IADKBPMQNGELSM-HKUYNNGSSA-N 1 0 369.421 2.523 20 5 FFBDRO O=C(NC[C@@H]1CC[N@@H+]1Cc1ccccc1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001328436693 1048303693 /nfs/dbraw/zinc/30/36/93/1048303693.db2.gz KJMVXGXHWHJHML-IBGZPJMESA-N 1 0 366.421 2.895 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CC[NH2+][C@H](c3ccc(O)cc3)C2)c2ncccc12 ZINC001307199323 1049985798 /nfs/dbraw/zinc/98/57/98/1049985798.db2.gz KVIMBRNKOVOSDZ-INIZCTEOSA-N 1 0 350.378 3.000 20 5 FFBDRO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC001341541856 1050170904 /nfs/dbraw/zinc/17/09/04/1050170904.db2.gz YESRGDIDQFENIR-IUODEOHRSA-N 1 0 351.834 2.781 20 5 FFBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)CCc3c(Cl)cccc3[N+](=O)[O-])C[C@H]21 ZINC001341643898 1050270694 /nfs/dbraw/zinc/27/06/94/1050270694.db2.gz PYSXDZMGHODMTI-NJZAAPMLSA-N 1 0 351.834 2.767 20 5 FFBDRO O=C(CCc1cc(F)ccc1[N+](=O)[O-])N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC001341943433 1050539942 /nfs/dbraw/zinc/53/99/42/1050539942.db2.gz LUTGXXFXAWIAFF-GOSISDBHSA-N 1 0 357.385 2.840 20 5 FFBDRO CC[N@@H+]1CC[C@H](CNC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])C1 ZINC001542185923 1071184055 /nfs/dbraw/zinc/18/40/55/1071184055.db2.gz GYZPPVRCXBLOHJ-CQSZACIVSA-N 1 0 354.410 2.728 20 5 FFBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)Cc3ccccc3F)c2)CC1 ZINC001340882686 1051215048 /nfs/dbraw/zinc/21/50/48/1051215048.db2.gz SJKGWUKXVMTIGY-UHFFFAOYSA-N 1 0 372.400 2.667 20 5 FFBDRO [NH3+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC001342858921 1051467705 /nfs/dbraw/zinc/46/77/05/1051467705.db2.gz LBYOCDOLRLOAHD-XFIJJGBISA-N 1 0 365.433 2.874 20 5 FFBDRO O=C(c1cccc([N+](=O)[O-])c1)N1C[C@@H](C[C@@H]2COCC[NH2+]2)c2ccccc21 ZINC001342875890 1051485282 /nfs/dbraw/zinc/48/52/82/1051485282.db2.gz OXFVDYBTSXVXIW-HZPDHXFCSA-N 1 0 367.405 2.717 20 5 FFBDRO O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001341339821 1051695486 /nfs/dbraw/zinc/69/54/86/1051695486.db2.gz RYRYHGFJKWFVQJ-HXUWFJFHSA-N 1 0 372.469 2.556 20 5 FFBDRO C[NH2+][C@H](CNC(=O)CCc1cc(F)ccc1[N+](=O)[O-])Cc1ccccc1 ZINC001344846464 1052058939 /nfs/dbraw/zinc/05/89/39/1052058939.db2.gz MVXNKVWFTMQTKD-KRWDZBQOSA-N 1 0 359.401 2.613 20 5 FFBDRO Cc1cc(NC(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC001344875645 1052091831 /nfs/dbraw/zinc/09/18/31/1052091831.db2.gz MUWIVLIFMUONSA-CQSZACIVSA-N 1 0 350.419 2.526 20 5 FFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)OC[C@H]2CC[N@@H+]2C2CCOCC2)c1 ZINC001344928318 1052138641 /nfs/dbraw/zinc/13/86/41/1052138641.db2.gz CZFKRLQMCNMYDI-CYBMUJFWSA-N 1 0 366.439 2.727 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(c3ccc([N+](=O)[O-])cc3C(=O)NC3CC3)C[C@H]2C1 ZINC001343305416 1052151016 /nfs/dbraw/zinc/15/10/16/1052151016.db2.gz MINIHGHEXDKELO-IIAWOOMASA-N 1 0 372.469 2.654 20 5 FFBDRO CN(CC[C@H]1CCCC[N@@H+]1C)c1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC001306977922 1052229946 /nfs/dbraw/zinc/22/99/46/1052229946.db2.gz CKTWPMJMEJVYKF-CQSZACIVSA-N 1 0 358.442 2.757 20 5 FFBDRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)OC)C1 ZINC001307035998 1052242431 /nfs/dbraw/zinc/24/24/31/1052242431.db2.gz WDMQNXSFRZJTAO-CQSZACIVSA-N 1 0 374.445 2.583 20 5 FFBDRO Cc1c(Br)c(N[C@@H]2CC[C@H]3C[N@@H+](C)C[C@H]32)ncc1[N+](=O)[O-] ZINC001307233920 1052273907 /nfs/dbraw/zinc/27/39/07/1052273907.db2.gz JYEJXKOQCVHRQU-HBNTYKKESA-N 1 0 355.236 2.813 20 5 FFBDRO COC(=O)c1ccc2c(c1)CC[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C2 ZINC001308044914 1052390953 /nfs/dbraw/zinc/39/09/53/1052390953.db2.gz ORIVRWGQGLHPEK-UHFFFAOYSA-N 1 0 356.378 2.819 20 5 FFBDRO CC1(C)CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1c1ccccc1 ZINC001308113284 1052410668 /nfs/dbraw/zinc/41/06/68/1052410668.db2.gz MIFOILXVHXNLHG-MSOLQXFVSA-N 1 0 358.442 2.668 20 5 FFBDRO O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCCC[C@]12CCC[NH2+]C2 ZINC001343775867 1052413365 /nfs/dbraw/zinc/41/33/65/1052413365.db2.gz JRFSQDZBWIPXHI-LJQANCHMSA-N 1 0 369.425 2.529 20 5 FFBDRO CCc1ccc(S(=O)(=O)NCC[N@H+]2CCCC[C@@H]2CC)cc1[N+](=O)[O-] ZINC001309175601 1052567761 /nfs/dbraw/zinc/56/77/61/1052567761.db2.gz VFWFFWNMAKUADF-HNNXBMFYSA-N 1 0 369.487 2.700 20 5 FFBDRO CCN(C(=O)c1ccc([N+](=O)[O-])cc1Br)[C@H]1CCC[NH2+]C1 ZINC001346549597 1053097425 /nfs/dbraw/zinc/09/74/25/1053097425.db2.gz ZNWAFLXQPPLJTR-NSHDSACASA-N 1 0 356.220 2.571 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]Cc1cccc(N2CC=CC2)c1 ZINC001335316891 1053294276 /nfs/dbraw/zinc/29/42/76/1053294276.db2.gz FNQHLXXTTTZMGO-SFHVURJKSA-N 1 0 369.421 2.501 20 5 FFBDRO CC[C@@](O)(CCC(F)(F)F)C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001336855479 1054289952 /nfs/dbraw/zinc/28/99/52/1054289952.db2.gz VQMFEBACQNGTQH-UONOGXRCSA-N 1 0 350.337 2.701 20 5 FFBDRO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1C[C@]23C[N@H+](C)C[C@@]2(C1)CCCC3 ZINC001348454809 1054707284 /nfs/dbraw/zinc/70/72/84/1054707284.db2.gz JJGZPEDCTQYEMI-GASCZTMLSA-N 1 0 373.379 2.659 20 5 FFBDRO O=C(NC[C@H]1[NH2+]CCc2ccccc21)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001348563521 1054794519 /nfs/dbraw/zinc/79/45/19/1054794519.db2.gz VQPSICZFUYYZHJ-GOSISDBHSA-N 1 0 352.394 2.507 20 5 FFBDRO C[N@@H+]1C[C@@]23CN(C(=O)CCc4cccc([N+](=O)[O-])c4)C[C@]2(C1)CCCC3 ZINC001337558032 1054845143 /nfs/dbraw/zinc/84/51/43/1054845143.db2.gz FTOLQCNHTOBDRN-BGYRXZFFSA-N 1 0 357.454 2.862 20 5 FFBDRO O=C(NCC1CC[NH+](CC2CC2)CC1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001337677683 1054939033 /nfs/dbraw/zinc/93/90/33/1054939033.db2.gz GRWWHDUWWGDKKM-UHFFFAOYSA-N 1 0 350.394 2.977 20 5 FFBDRO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cc(Cl)cc(Cl)c3[N+](=O)[O-])[C@H]2C1 ZINC001337834527 1055047088 /nfs/dbraw/zinc/04/70/88/1055047088.db2.gz PPBQMVYJPSBEAS-QWRKXWFKSA-N 1 0 358.225 2.972 20 5 FFBDRO COc1cc(C(=O)N2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)cc([N+](=O)[O-])c1C ZINC001337885237 1055083551 /nfs/dbraw/zinc/08/35/51/1055083551.db2.gz LUZKRNYBXJGRDZ-IMJJTQAJSA-N 1 0 361.442 2.714 20 5 FFBDRO C[NH+]1CCC2(CCN(C(=O)NCCc3ccccc3[N+](=O)[O-])CC2)CC1 ZINC001349361792 1055207733 /nfs/dbraw/zinc/20/77/33/1055207733.db2.gz XLMDINOOICDAFN-UHFFFAOYSA-N 1 0 360.458 2.655 20 5 FFBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000847253516 1055320855 /nfs/dbraw/zinc/32/08/55/1055320855.db2.gz GUJLENLJUISXIK-UONOGXRCSA-N 1 0 362.386 2.558 20 5 FFBDRO CCn1c([C@@H](C)[N+](=O)[O-])nnc1N1CC[N@H+](Cc2ccccc2)C[C@H](C)C1 ZINC001356351821 1055468018 /nfs/dbraw/zinc/46/80/18/1055468018.db2.gz NFAVJXSMPDLNMD-JKSUJKDBSA-N 1 0 372.473 2.594 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)c3cc(F)c(F)cc3[N+](=O)[O-])C[C@@H]2C1 ZINC001349967755 1055564805 /nfs/dbraw/zinc/56/48/05/1055564805.db2.gz OMHCMHBOCNKWNZ-SDDRHHMPSA-N 1 0 353.369 2.675 20 5 FFBDRO O=C(CC[NH2+][C@@H]1CCCN(CC(F)(F)F)C1)Nc1ccccc1[N+](=O)[O-] ZINC001357208717 1055822592 /nfs/dbraw/zinc/82/25/92/1055822592.db2.gz BMYUEONLNVMHNK-GFCCVEGCSA-N 1 0 374.363 2.540 20 5 FFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001543997505 1071579891 /nfs/dbraw/zinc/57/98/91/1071579891.db2.gz MPJSZVMPIXSIDJ-OAHLLOKOSA-N 1 0 368.437 2.914 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)n1 ZINC001350607461 1055861950 /nfs/dbraw/zinc/86/19/50/1055861950.db2.gz AAZPUCMEZCZFOO-UHFFFAOYSA-N 1 0 369.425 2.611 20 5 FFBDRO C[N@H+](CCNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N)C1CCCCC1 ZINC001544038728 1071584304 /nfs/dbraw/zinc/58/43/04/1071584304.db2.gz ASPJHMWQWXKDOR-UHFFFAOYSA-N 1 0 372.828 2.964 20 5 FFBDRO C[C@H](NC(=O)[C@@H]1C[NH2+]C[C@H]1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC001358141795 1056160045 /nfs/dbraw/zinc/16/00/45/1056160045.db2.gz GFLBMOVYIXPRHV-POZUXBRTSA-N 1 0 353.422 2.850 20 5 FFBDRO CCc1cccnc1C(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001339184756 1056178290 /nfs/dbraw/zinc/17/82/90/1056178290.db2.gz LLPYFXNUGVVWAQ-UHFFFAOYSA-N 1 0 369.425 2.556 20 5 FFBDRO CCNc1ccc(C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)cc1[N+](=O)[O-] ZINC001544307687 1071626124 /nfs/dbraw/zinc/62/61/24/1071626124.db2.gz VPRKXSNQYJUNEI-UHFFFAOYSA-N 1 0 372.429 2.742 20 5 FFBDRO C[NH+](C)CC(C)(C)C1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC001339444969 1056459656 /nfs/dbraw/zinc/45/96/56/1056459656.db2.gz ZYQNRVWWMDJJNO-UHFFFAOYSA-N 1 0 373.457 2.911 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849483721 1056869495 /nfs/dbraw/zinc/86/94/95/1056869495.db2.gz IVHVJYKGVKESEK-HZPDHXFCSA-N 1 0 371.441 2.619 20 5 FFBDRO O=C(Nc1cccc2c1C[N@@H+](C1CC1)C2)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001447229761 1058610640 /nfs/dbraw/zinc/61/06/40/1058610640.db2.gz MYQXPCRQZZHVCF-GOSISDBHSA-N 1 0 353.378 2.745 20 5 FFBDRO O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCC[C@@]12CC[NH2+]C2 ZINC001514567561 1058990800 /nfs/dbraw/zinc/99/08/00/1058990800.db2.gz YPELYTWIILOZEF-QFIPXVFZSA-N 1 0 361.445 2.509 20 5 FFBDRO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001354523559 1059108709 /nfs/dbraw/zinc/10/87/09/1059108709.db2.gz NCWZUMOBADYBOR-CLLJXQQHSA-N 1 0 351.834 2.828 20 5 FFBDRO CC(C)[N@H+](CCO)CC1CCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC001515985973 1059920370 /nfs/dbraw/zinc/92/03/70/1059920370.db2.gz AQBMBWQGPJMFEF-UHFFFAOYSA-N 1 0 356.854 2.562 20 5 FFBDRO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])[C@@H]2C1 ZINC001355171868 1059957825 /nfs/dbraw/zinc/95/78/25/1059957825.db2.gz PQAVPINKEJSZLQ-ZWKOPEQDSA-N 1 0 357.332 2.684 20 5 FFBDRO CC[NH+](CC)C[C@H]1CCN(CN2CC[C@@H](c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000848480476 1060114671 /nfs/dbraw/zinc/11/46/71/1060114671.db2.gz MZWZITJIAMATCP-APWZRJJASA-N 1 0 374.485 2.532 20 5 FFBDRO CO[C@@H]1C[C@H]([N@H+](C)CN2CC[C@@H](c3ccc([N+](=O)[O-])cc3)C2=O)C12CCC2 ZINC000848489261 1060141808 /nfs/dbraw/zinc/14/18/08/1060141808.db2.gz RQIRPALYOGGQPJ-OKZBNKHCSA-N 1 0 373.453 2.758 20 5 FFBDRO COc1ccc(OC)c([C@H](O)C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000848522840 1060213210 /nfs/dbraw/zinc/21/32/10/1060213210.db2.gz YJAALBOFZSDHOU-SJLPKXTDSA-N 1 0 358.394 2.923 20 5 FFBDRO C[NH+](C)CCN(C(=O)CCc1cc(F)ccc1[N+](=O)[O-])C1CCCC1 ZINC001457398753 1060363107 /nfs/dbraw/zinc/36/31/07/1060363107.db2.gz DWXBMEHCKVJXPA-UHFFFAOYSA-N 1 0 351.422 2.999 20 5 FFBDRO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)N(Cc3cccc([N+](=O)[O-])c3)C3CC3)[C@H]2C1 ZINC001521372845 1060561750 /nfs/dbraw/zinc/56/17/50/1060561750.db2.gz JYEXLZVYNAYHNC-JCGIZDLHSA-N 1 0 358.442 2.609 20 5 FFBDRO CCC[N@@H+]1CC[C@H](Nc2cc(CC)nc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC001458503182 1060607703 /nfs/dbraw/zinc/60/77/03/1060607703.db2.gz DFMDAZAFZWIJNO-INIZCTEOSA-N 1 0 355.442 2.932 20 5 FFBDRO O=[N+]([O-])c1c2cccnc2ccc1N1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001458701209 1060651083 /nfs/dbraw/zinc/65/10/83/1060651083.db2.gz IEMZVKWLWPAHMC-UHFFFAOYSA-N 1 0 370.453 2.960 20 5 FFBDRO CCC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@@H](C)C(=O)OCC ZINC001460048871 1060882944 /nfs/dbraw/zinc/88/29/44/1060882944.db2.gz GEQAYAMAIQXDPN-LBPRGKRZSA-N 1 0 369.393 2.726 20 5 FFBDRO C[C@@H]([NH2+]CC(=O)NCCO[C@@H]1CCCC[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC001460769139 1061095069 /nfs/dbraw/zinc/09/50/69/1061095069.db2.gz VFXCIYOWZPSZMO-HDMKZQKVSA-N 1 0 363.458 2.957 20 5 FFBDRO O=C1[C@@H]([N@@H+]2CCC[C@H](C3CCOCC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC001460834759 1061120804 /nfs/dbraw/zinc/12/08/04/1061120804.db2.gz NNBYRLLFUFTTAV-LPHOPBHVSA-N 1 0 373.453 2.839 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001463269462 1062024725 /nfs/dbraw/zinc/02/47/25/1062024725.db2.gz DZZCVMSASMLNFP-UMVBOHGHSA-N 1 0 369.487 2.548 20 5 FFBDRO O=C(NCCC[NH+](Cc1ccccc1)Cc1ccccc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001361204643 1062118174 /nfs/dbraw/zinc/11/81/74/1062118174.db2.gz CVGCXRZLHCIWOG-WOJBJXKFSA-N 1 0 367.449 2.860 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N3CC[C@H](C[NH3+])[C@H](C)C3)cc2[N+](=O)[O-])CC1 ZINC001523031087 1062364961 /nfs/dbraw/zinc/36/49/61/1062364961.db2.gz XYQSLUSXSQEZMJ-NVXWUHKLSA-N 1 0 374.485 2.888 20 5 FFBDRO O=C(NC1(C2CC[NH2+]CC2)CC1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001523494060 1062492855 /nfs/dbraw/zinc/49/28/55/1062492855.db2.gz RCDSZBQNGYUFOL-UHFFFAOYSA-N 1 0 372.450 2.980 20 5 FFBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC001466097296 1063324262 /nfs/dbraw/zinc/32/42/62/1063324262.db2.gz JEZURXTYRBXWAJ-OAHLLOKOSA-N 1 0 363.462 2.598 20 5 FFBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)NC[C@@H]3CC=CCC3)c2)CC1 ZINC001467370945 1063726534 /nfs/dbraw/zinc/72/65/34/1063726534.db2.gz WVBGQXDNNQGBEG-OAHLLOKOSA-N 1 0 373.457 2.824 20 5 FFBDRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)Nc1ccc([N+](=O)[O-])c2ccccc12 ZINC001467548696 1063777701 /nfs/dbraw/zinc/77/77/01/1063777701.db2.gz UNSJGDYHXKYREI-ZIAGYGMSSA-N 1 0 370.409 2.733 20 5 FFBDRO C[N@@H+]1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC12CCCCC2 ZINC001468225082 1063946908 /nfs/dbraw/zinc/94/69/08/1063946908.db2.gz HSBMBLHJRFWZQW-UHFFFAOYSA-N 1 0 357.414 2.562 20 5 FFBDRO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])cn1C ZINC001470779878 1064449038 /nfs/dbraw/zinc/44/90/38/1064449038.db2.gz JWCBVQSDJMIVMU-WMLDXEAASA-N 1 0 356.426 2.574 20 5 FFBDRO CC1([NH+]2CCCC2)CCC(NC(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC001471919562 1064852246 /nfs/dbraw/zinc/85/22/46/1064852246.db2.gz PZQSRUAMTZRBHE-UHFFFAOYSA-N 1 0 360.458 2.920 20 5 FFBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NCCNc2ccc(C)cn2)cc1OC ZINC001472010411 1064889796 /nfs/dbraw/zinc/88/97/96/1064889796.db2.gz DACGTUAQULKIPM-UHFFFAOYSA-N 1 0 374.397 2.547 20 5 FFBDRO O=C(NC[C@H]1C[NH+]2CCC1CC2)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001472234197 1064980242 /nfs/dbraw/zinc/98/02/42/1064980242.db2.gz YQNGZFMAOJELSN-JTQLQIEISA-N 1 0 358.225 2.973 20 5 FFBDRO CC(C)(C)OCCC[NH+]1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC001472864984 1065162101 /nfs/dbraw/zinc/16/21/01/1065162101.db2.gz YGFWJSQFSMOUKO-UHFFFAOYSA-N 1 0 361.446 2.798 20 5 FFBDRO COC(=O)c1cc(C)nc(N2CC[N@H+](C3CCCC3)[C@H](C)C2)c1[N+](=O)[O-] ZINC001472878163 1065166008 /nfs/dbraw/zinc/16/60/08/1065166008.db2.gz JQUXPCIPLHOEPH-CYBMUJFWSA-N 1 0 362.430 2.538 20 5 FFBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNc2cc(-c3nn[nH]n3)sc2[N+](=O)[O-])C1 ZINC001575970196 1078182650 /nfs/dbraw/zinc/18/26/50/1078182650.db2.gz NSTUCRVNRORBNT-PHIMTYICSA-N 1 0 365.463 2.616 20 5 FFBDRO O=C(C[N@@H+]1CCCc2ccccc2CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC001473478228 1065271020 /nfs/dbraw/zinc/27/10/20/1065271020.db2.gz NEARJASXONXUGL-UHFFFAOYSA-N 1 0 365.433 2.975 20 5 FFBDRO CC(C)(C)OC(=O)N[C@@H]1CCCCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC001473708455 1065326652 /nfs/dbraw/zinc/32/66/52/1065326652.db2.gz CIJHAPCNIRBNPV-CQSZACIVSA-N 1 0 367.450 2.561 20 5 FFBDRO C[C@H]([NH3+])[C@@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2[C@@H]2C[C@@H]2C)C1 ZINC001576121022 1078198326 /nfs/dbraw/zinc/19/83/26/1078198326.db2.gz ZKNHFFCTPFSMMI-YOKBYHGQSA-N 1 0 370.457 2.998 20 5 FFBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2C[C@@H](Cc3ccccc3)[C@H](O)C2)cc1 ZINC001473874161 1065400412 /nfs/dbraw/zinc/40/04/12/1065400412.db2.gz YEZGZGXQCYQXLK-YLJYHZDGSA-N 1 0 356.422 2.899 20 5 FFBDRO CC[N@H+](Cc1cn(C)nc1[N+](=O)[O-])C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001473886116 1065406349 /nfs/dbraw/zinc/40/63/49/1065406349.db2.gz SQWQKXJPQVDGPY-UHFFFAOYSA-N 1 0 367.450 2.550 20 5 FFBDRO CC[NH2+]CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](C)[C@H](C)C1 ZINC001577858523 1078408936 /nfs/dbraw/zinc/40/89/36/1078408936.db2.gz XSWVEWZPUHPVGJ-LSDHHAIUSA-N 1 0 372.473 2.945 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@@]1(c2ccccc2)C[C@H]([NH3+])C1 ZINC001578189038 1078449093 /nfs/dbraw/zinc/44/90/93/1078449093.db2.gz AMXIPKBOGFMXJW-QUWSVYMGSA-N 1 0 355.394 2.991 20 5 FFBDRO CN(C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001578383941 1078467882 /nfs/dbraw/zinc/46/78/82/1078467882.db2.gz RQLPJECCSBQTMS-ZACCUICWSA-N 1 0 353.810 2.577 20 5 FFBDRO COc1c(O)ccc(CN[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC001579136218 1078573653 /nfs/dbraw/zinc/57/36/53/1078573653.db2.gz FNWFLVMJGKCVIF-HZPDHXFCSA-N 1 0 357.410 2.544 20 5 FFBDRO C[C@@H]([NH3+])Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H]1C1CCC1 ZINC001579401910 1078625703 /nfs/dbraw/zinc/62/57/03/1078625703.db2.gz FAOIGDZSHVMHSC-DYVFJYSZSA-N 1 0 370.457 2.969 20 5 FFBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC001579515899 1078638103 /nfs/dbraw/zinc/63/81/03/1078638103.db2.gz FEZMJZSXVHASDN-VHSXEESVSA-N 1 0 356.220 2.523 20 5 FFBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H](C[NH3+])CC(C)C ZINC001579515884 1078638209 /nfs/dbraw/zinc/63/82/09/1078638209.db2.gz DBVZKRGJZMCZTL-SNVBAGLBSA-N 1 0 358.236 2.769 20 5 FFBDRO [NH3+][C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC001580409596 1078799149 /nfs/dbraw/zinc/79/91/49/1078799149.db2.gz TXZPGVZYTQZLQC-OAHLLOKOSA-N 1 0 350.378 2.535 20 5 FFBDRO O=C(N[C@@]12CCC[C@@H]1[NH2+]CC2)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001580599049 1078831861 /nfs/dbraw/zinc/83/18/61/1078831861.db2.gz OGDYOWYWDYHJFD-HNAYVOBHSA-N 1 0 352.394 2.671 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC001582803923 1079109783 /nfs/dbraw/zinc/10/97/83/1079109783.db2.gz CRGZZUNGMMLCCN-CYBMUJFWSA-N 1 0 357.418 2.594 20 5 FFBDRO Cc1cccc(C[N@@H+]2CC[C@@H](NC(=O)c3cc([N+](=O)[O-])c(F)cc3N)C2)c1 ZINC001557763215 1075886106 /nfs/dbraw/zinc/88/61/06/1075886106.db2.gz UYBXOZRCAGSKRC-CQSZACIVSA-N 1 0 372.400 2.629 20 5 FFBDRO C[C@]12CN(C(=O)c3ccc([N+](=O)[O-])o3)C[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC001558242337 1075966191 /nfs/dbraw/zinc/96/61/91/1075966191.db2.gz BIHHOTICQNIOBT-BEFAXECRSA-N 1 0 355.394 2.782 20 5 FFBDRO C[C@@H](CNC(=O)[C@@H]1CCN(c2cc[nH+]cc2)C1)c1ccccc1[N+](=O)[O-] ZINC001559039385 1076118641 /nfs/dbraw/zinc/11/86/41/1076118641.db2.gz VICUEIUAJZKGSY-LSDHHAIUSA-N 1 0 354.410 2.736 20 5 FFBDRO COC1CC[NH+](CCNc2c3cc(Cl)ccc3ncc2[N+](=O)[O-])CC1 ZINC001559123828 1076128077 /nfs/dbraw/zinc/12/80/77/1076128077.db2.gz PYINPSQSSCWKNO-UHFFFAOYSA-N 1 0 364.833 2.741 20 5 FFBDRO CCOC(=O)c1cc([N+](=O)[O-])c(NC[C@]2([NH+](C)C)CCSC2)cc1C ZINC001559126080 1076128182 /nfs/dbraw/zinc/12/81/82/1076128182.db2.gz ULTOGKYMGGDVFB-QGZVFWFLSA-N 1 0 367.471 2.929 20 5 FFBDRO O=c1[nH]ccc(N2CCN(c3cc[nH+]c4ccccc43)CC2)c1[N+](=O)[O-] ZINC001559226671 1076137119 /nfs/dbraw/zinc/13/71/19/1076137119.db2.gz MOSKHXHDBIZILL-UHFFFAOYSA-N 1 0 351.366 2.570 20 5 FFBDRO COc1ccc2ncc([N+](=O)[O-])c(N[C@@H]3CCC[N@@H+]4CCSC[C@H]34)c2c1 ZINC001559277867 1076145047 /nfs/dbraw/zinc/14/50/47/1076145047.db2.gz FTONSZGELDINQS-NVXWUHKLSA-N 1 0 374.466 2.565 20 5 FFBDRO COC(=O)C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC001559984887 1076210064 /nfs/dbraw/zinc/21/00/64/1076210064.db2.gz WPNJUASEEOXVOR-UHFFFAOYSA-N 1 0 363.414 2.731 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+]C1(CO)CCCCCCC1 ZINC001560082874 1076223835 /nfs/dbraw/zinc/22/38/35/1076223835.db2.gz IYYZUJJJIZEHTP-UHFFFAOYSA-N 1 0 365.430 2.607 20 5 FFBDRO CC[NH+](CC)CC[C@@H](CO)NCc1c(Br)cccc1[N+](=O)[O-] ZINC001560520785 1076277809 /nfs/dbraw/zinc/27/78/09/1076277809.db2.gz GQLMOZLORTVHNJ-LBPRGKRZSA-N 1 0 374.279 2.540 20 5 FFBDRO [NH3+]CCN(CC1(c2ccc3c(c2)OCO3)CC1)c1ccc([N+](=O)[O-])cc1 ZINC001560809186 1076300771 /nfs/dbraw/zinc/30/07/71/1076300771.db2.gz BAMCDNHDBNVHQE-UHFFFAOYSA-N 1 0 355.394 2.820 20 5 FFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc2oc(=O)[nH]c2c1 ZINC001560999035 1076317829 /nfs/dbraw/zinc/31/78/29/1076317829.db2.gz LYBHKBRKVQBAAE-LLVKDONJSA-N 1 0 370.365 2.949 20 5 FFBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)NC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC001562587731 1076505774 /nfs/dbraw/zinc/50/57/74/1076505774.db2.gz OLTNJMNUHYZPIQ-UHFFFAOYSA-N 1 0 371.441 2.752 20 5 FFBDRO CCO[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])c2ccccc12)C[NH+](C)C ZINC001563396738 1076550455 /nfs/dbraw/zinc/55/04/55/1076550455.db2.gz HWQRHXXOPIRXAR-ZDUSSCGKSA-N 1 0 360.414 2.836 20 5 FFBDRO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1ccc([N+](=O)[O-])cc1F ZINC001569503375 1077149914 /nfs/dbraw/zinc/14/99/14/1077149914.db2.gz MEUPJPQUBSVFCC-VQFNDLOPSA-N 1 0 355.369 2.594 20 5 FFBDRO C[N@@H+]1CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C[C@H]1C(C)(C)C ZINC001570910286 1077242292 /nfs/dbraw/zinc/24/22/92/1077242292.db2.gz BYYVFYSDOUNYQD-SFHVURJKSA-N 1 0 374.485 2.997 20 5 FFBDRO C[NH+]1C[C@]2(C)CN(C(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)C[C@@]2(C)C1 ZINC001586215146 1079576092 /nfs/dbraw/zinc/57/60/92/1079576092.db2.gz URBQPJXJKKEKFC-RTBURBONSA-N 1 0 358.442 2.583 20 5 FFBDRO C[C@H]([NH2+][C@H]1Cc2ccc(-c3nn[nH]n3)cc2C1)c1c(F)cccc1[N+](=O)[O-] ZINC001589953518 1080899803 /nfs/dbraw/zinc/89/98/03/1080899803.db2.gz FSUJXDIZRNQVGO-HZMBPMFUSA-N 1 0 368.372 2.732 20 5 FFBDRO C[C@H]1CCC[C@](CNc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])([NH+](C)C)C1 ZINC001590241025 1081115563 /nfs/dbraw/zinc/11/55/63/1081115563.db2.gz FZLDSDDZHQFOTF-SJCJKPOMSA-N 1 0 359.434 2.697 20 5 FFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000377088848 512118619 /nfs/dbraw/zinc/11/86/19/512118619.db2.gz AOTKPGYOCGNEIR-KDOFPFPSSA-N 1 0 354.410 2.691 20 5 FFBDRO O=C(Cc1cccc([N+](=O)[O-])c1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000013779909 249320773 /nfs/dbraw/zinc/32/07/73/249320773.db2.gz BCVXIEVBPYWULE-UHFFFAOYSA-N 1 0 353.422 2.918 20 5 FFBDRO Nc1ccc(C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1[N+](=O)[O-] ZINC000103096589 250134911 /nfs/dbraw/zinc/13/49/11/250134911.db2.gz ARKTZUMKKZVBGF-HNNXBMFYSA-N 1 0 360.458 2.905 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]([C@H](O)c2nccn2C)C1 ZINC000131949880 251031425 /nfs/dbraw/zinc/03/14/25/251031425.db2.gz SJOKRMKIXGNPJR-KDOFPFPSSA-N 1 0 374.441 2.673 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000153172524 251110573 /nfs/dbraw/zinc/11/05/73/251110573.db2.gz SGQHYGLFZTZCIC-CQSZACIVSA-N 1 0 354.410 2.843 20 5 FFBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000173565339 251208300 /nfs/dbraw/zinc/20/83/00/251208300.db2.gz LZBGTYFNKFGZCW-AWEZNQCLSA-N 1 0 360.458 2.973 20 5 FFBDRO COc1cc(NC2CC[NH+](C[C@@H]3CCOC3)CC2)c(F)cc1[N+](=O)[O-] ZINC000271123405 251709978 /nfs/dbraw/zinc/70/99/78/251709978.db2.gz YUOREYVCTDJFQY-LBPRGKRZSA-N 1 0 353.394 2.655 20 5 FFBDRO COc1cc(C[NH2+]CCc2cccnc2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272494253 252052711 /nfs/dbraw/zinc/05/27/11/252052711.db2.gz UYOBYYCDZYIZTL-UHFFFAOYSA-N 1 0 367.352 2.975 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCc3c2cccc3F)cc1 ZINC000272982963 252181803 /nfs/dbraw/zinc/18/18/03/252181803.db2.gz YLHZDZKJAVBNAS-QGZVFWFLSA-N 1 0 364.398 2.785 20 5 FFBDRO CCOc1ccc(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000272967800 252177776 /nfs/dbraw/zinc/17/77/76/252177776.db2.gz UMAXYIOBIDXMBB-UHFFFAOYSA-N 1 0 364.423 2.557 20 5 FFBDRO COc1cc(NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)ccc1[N+](=O)[O-] ZINC000273225661 252256277 /nfs/dbraw/zinc/25/62/77/252256277.db2.gz RBFYQLURNCLYMU-QGZVFWFLSA-N 1 0 357.410 2.782 20 5 FFBDRO C[C@@H]1C[N@@H+](CCCCNC(=O)Nc2ccc([N+](=O)[O-])cc2F)C[C@H](C)O1 ZINC000273340148 252284245 /nfs/dbraw/zinc/28/42/45/252284245.db2.gz ACJSFMDWHQVELX-BETUJISGSA-N 1 0 368.409 2.745 20 5 FFBDRO CCOc1cccc(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000273519323 252323906 /nfs/dbraw/zinc/32/39/06/252323906.db2.gz SGDWDFHTHRKBPR-UHFFFAOYSA-N 1 0 364.423 2.557 20 5 FFBDRO O=C(C[N@@H+]1CC[C@@H]([C@@H]2CCOC2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000366649109 512123029 /nfs/dbraw/zinc/12/30/29/512123029.db2.gz CGNREDMQFOLABG-VXGBXAGGSA-N 1 0 353.806 2.545 20 5 FFBDRO COCCCCC[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000274109514 255834902 /nfs/dbraw/zinc/83/49/02/255834902.db2.gz TZXBENOEYMEPOP-UHFFFAOYSA-N 1 0 361.446 2.800 20 5 FFBDRO Cn1c(Sc2ccc(Cl)cc2[N+](=O)[O-])nnc1C1CC[NH2+]CC1 ZINC000276287088 256086796 /nfs/dbraw/zinc/08/67/96/256086796.db2.gz XTKFHIUKAKVYFJ-UHFFFAOYSA-N 1 0 353.835 2.995 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000276360934 256092779 /nfs/dbraw/zinc/09/27/79/256092779.db2.gz AIVYBNGNTLRALK-HNNXBMFYSA-N 1 0 364.446 2.570 20 5 FFBDRO CCC[N@H+](C)[C@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000285767823 257003707 /nfs/dbraw/zinc/00/37/07/257003707.db2.gz AASSRKZJTBVYLQ-CYBMUJFWSA-N 1 0 365.821 2.784 20 5 FFBDRO C[NH+](C)[C@H]1CCCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000277275752 256179218 /nfs/dbraw/zinc/17/92/18/256179218.db2.gz MUYWVXZNKOTSPE-AWEZNQCLSA-N 1 0 369.849 2.960 20 5 FFBDRO CCC[C@]1(CO)CCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000277930274 256256986 /nfs/dbraw/zinc/25/69/86/256256986.db2.gz YPEDYWPKNUHIMH-QGZVFWFLSA-N 1 0 353.394 2.690 20 5 FFBDRO CCc1n[nH]c(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000278430110 256311738 /nfs/dbraw/zinc/31/17/38/256311738.db2.gz CYGFRFPWNGESIH-CJNGLKHVSA-N 1 0 371.441 2.521 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000278475319 256316700 /nfs/dbraw/zinc/31/67/00/256316700.db2.gz IUZYFLQDXUXRLO-UHFFFAOYSA-N 1 0 374.485 2.534 20 5 FFBDRO O=[N+]([O-])c1cnc(C(F)(F)F)cc1NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000278524960 256322361 /nfs/dbraw/zinc/32/23/61/256322361.db2.gz ZJIDHJPLDVPMPE-LLVKDONJSA-N 1 0 374.363 2.921 20 5 FFBDRO CN1CCN(C(=O)c2sc(Br)cc2[N+](=O)[O-])C(C)(C)C1 ZINC000278618281 256331194 /nfs/dbraw/zinc/33/11/94/256331194.db2.gz LRMMCFQXCSCGIP-UHFFFAOYSA-N 1 0 362.249 2.585 20 5 FFBDRO CC1(C)C[C@@H]([NH2+]C[C@H]2COC3(CCOCC3)O2)c2cc([N+](=O)[O-])ccc21 ZINC000279169546 256389245 /nfs/dbraw/zinc/38/92/45/256389245.db2.gz UPVGJNRLOJPYGL-WMLDXEAASA-N 1 0 362.426 2.829 20 5 FFBDRO CN(C(=O)c1ccc([N+](=O)[O-])cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000072054305 221399948 /nfs/dbraw/zinc/39/99/48/221399948.db2.gz WQMSHNFXQDSXOS-UHFFFAOYSA-N 1 0 368.437 2.769 20 5 FFBDRO CS(=O)(=O)C1(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCCC1 ZINC000285631131 256996446 /nfs/dbraw/zinc/99/64/46/256996446.db2.gz KJBNXARREZUWIC-INIZCTEOSA-N 1 0 366.483 2.863 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCSCC[C@@H]1C ZINC000286124286 257021306 /nfs/dbraw/zinc/02/13/06/257021306.db2.gz MJPTYWXFMSPGIZ-LBPRGKRZSA-N 1 0 353.444 2.759 20 5 FFBDRO C[C@H]([NH2+][C@H]1CCC[C@@H]1CCO)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000286261643 257028053 /nfs/dbraw/zinc/02/80/53/257028053.db2.gz STFUFWYPCMGJMP-WDMOLILDSA-N 1 0 355.822 2.716 20 5 FFBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1c1c(Br)cncc1[N+](=O)[O-] ZINC000286310966 257030668 /nfs/dbraw/zinc/03/06/68/257030668.db2.gz KCXZMHQNVFDNKH-WDEREUQCSA-N 1 0 355.236 2.815 20 5 FFBDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000286545355 257042346 /nfs/dbraw/zinc/04/23/46/257042346.db2.gz OJFDDEJIYMADJC-XFJQVIQYSA-N 1 0 359.426 2.587 20 5 FFBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000286955440 257063859 /nfs/dbraw/zinc/06/38/59/257063859.db2.gz FRFBUMFURAMNDU-ACJLOTCBSA-N 1 0 356.426 2.704 20 5 FFBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000287103074 257072072 /nfs/dbraw/zinc/07/20/72/257072072.db2.gz LKRMGWRKWUJALM-MLGOLLRUSA-N 1 0 351.834 2.876 20 5 FFBDRO COc1ccc(OCC[N@@H+]2CC[C@@H](OCc3ccncc3)C2)c([N+](=O)[O-])c1 ZINC000287826529 257118366 /nfs/dbraw/zinc/11/83/66/257118366.db2.gz PYPNKAZRDVMLCO-QGZVFWFLSA-N 1 0 373.409 2.668 20 5 FFBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000288494287 257196132 /nfs/dbraw/zinc/19/61/32/257196132.db2.gz RSSMKLISTWWWCR-DOMZBBRYSA-N 1 0 353.369 2.772 20 5 FFBDRO O=C(N[C@H](C1CC1)C(F)(F)F)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000288516857 257198678 /nfs/dbraw/zinc/19/86/78/257198678.db2.gz HPXVXBNCFURNOT-CYBMUJFWSA-N 1 0 354.288 2.851 20 5 FFBDRO C[C@H]1C[N@H+](CCCNC(=O)Nc2cccc([N+](=O)[O-])c2Cl)CCCO1 ZINC000289618957 257290367 /nfs/dbraw/zinc/29/03/67/257290367.db2.gz JSDMLVTVJMZBHQ-LBPRGKRZSA-N 1 0 370.837 2.871 20 5 FFBDRO COc1cc(C[NH2+]CCc2cn[nH]c2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000289763642 257298088 /nfs/dbraw/zinc/29/80/88/257298088.db2.gz IHBQIXZOWFATOX-UHFFFAOYSA-N 1 0 374.319 2.600 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2C)[C@H](C)C1 ZINC000289875173 257304001 /nfs/dbraw/zinc/30/40/01/257304001.db2.gz NYSWEUUKDGENEO-CJNGLKHVSA-N 1 0 358.446 2.557 20 5 FFBDRO Cc1cnn([C@@H]2CCN(CC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C2)c1 ZINC000289988874 257309799 /nfs/dbraw/zinc/30/97/99/257309799.db2.gz SFVRAUSRVLCRRA-CYBMUJFWSA-N 1 0 363.805 2.639 20 5 FFBDRO COc1ncccc1CC[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000290273894 257323469 /nfs/dbraw/zinc/32/34/69/257323469.db2.gz WLMCDYSFYNJEJK-ZDUSSCGKSA-N 1 0 358.398 2.548 20 5 FFBDRO Cc1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000291002283 257372333 /nfs/dbraw/zinc/37/23/33/257372333.db2.gz AXTSXOWPYCYTLZ-ZDUSSCGKSA-N 1 0 359.348 2.794 20 5 FFBDRO O=C(C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000296435744 257706344 /nfs/dbraw/zinc/70/63/44/257706344.db2.gz WIZYIDBOEZJFPW-LYRGGWFBSA-N 1 0 365.817 2.734 20 5 FFBDRO Cc1ccc(C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000297183271 257798469 /nfs/dbraw/zinc/79/84/69/257798469.db2.gz LHAKADWFEHPMNI-IRXDYDNUSA-N 1 0 357.385 2.999 20 5 FFBDRO O=[N+]([O-])c1cc(Br)ccc1NCCCC[NH+]1CCOCC1 ZINC000301104012 258025374 /nfs/dbraw/zinc/02/53/74/258025374.db2.gz PCAUEMVZMULWQX-UHFFFAOYSA-N 1 0 358.236 2.882 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 ZINC000301215510 258034845 /nfs/dbraw/zinc/03/48/45/258034845.db2.gz XNPRHYKDSJRIMV-UHFFFAOYSA-N 1 0 374.485 2.816 20 5 FFBDRO CN(C(=O)c1ccc([N+](=O)[O-])s1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000299672829 258015504 /nfs/dbraw/zinc/01/55/04/258015504.db2.gz JILQXFTVHUYOAN-UHFFFAOYSA-N 1 0 374.466 2.830 20 5 FFBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000302177208 258092714 /nfs/dbraw/zinc/09/27/14/258092714.db2.gz OVEAETJKHVPBBF-IFXJQAMLSA-N 1 0 368.437 2.887 20 5 FFBDRO CCC[NH+]1CCC(CNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CC1 ZINC000302630235 258107230 /nfs/dbraw/zinc/10/72/30/258107230.db2.gz IXIYSZAPFKFHRR-UHFFFAOYSA-N 1 0 355.460 2.532 20 5 FFBDRO Cc1cc(NCC2CC[NH+](CCO)CC2)c(Br)cc1[N+](=O)[O-] ZINC000302659109 258107441 /nfs/dbraw/zinc/10/74/41/258107441.db2.gz HYEMYMAISQMRFX-UHFFFAOYSA-N 1 0 372.263 2.782 20 5 FFBDRO Cc1ccc(S(=O)(=O)N2C[C@H](CC[NH3+])c3ccccc32)cc1[N+](=O)[O-] ZINC000327463297 258116252 /nfs/dbraw/zinc/11/62/52/258116252.db2.gz XFIHLZFMBUWDTC-ZDUSSCGKSA-N 1 0 361.423 2.545 20 5 FFBDRO C[C@@H]1C[C@@H](NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000330836934 258171739 /nfs/dbraw/zinc/17/17/39/258171739.db2.gz TWHIDYZCBKOKAP-PWSUYJOCSA-N 1 0 357.863 2.939 20 5 FFBDRO C[C@@H](NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000332009749 258210053 /nfs/dbraw/zinc/21/00/53/258210053.db2.gz ZEYFJWZERCNMNL-DYVFJYSZSA-N 1 0 363.483 2.990 20 5 FFBDRO CS[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@H]1[NH+]1CCCC1 ZINC000332071462 258212818 /nfs/dbraw/zinc/21/28/18/258212818.db2.gz CIQDZRTUEVQHLS-HUUCEWRRSA-N 1 0 369.874 2.900 20 5 FFBDRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCOc1cc(C)ccc1[N+](=O)[O-] ZINC000332088245 258213662 /nfs/dbraw/zinc/21/36/62/258213662.db2.gz JWPLJCBOSSBOOI-JKSUJKDBSA-N 1 0 361.442 2.757 20 5 FFBDRO COc1c(C(=O)N2CC[NH+](CC3CCCCC3)CC2)cccc1[N+](=O)[O-] ZINC000332109311 258214211 /nfs/dbraw/zinc/21/42/11/258214211.db2.gz IDJOUNYDGYAMQE-UHFFFAOYSA-N 1 0 361.442 2.942 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CN1C[C@H](SC)[C@@H]([NH+]2CCCC2)C1 ZINC000332106519 258214318 /nfs/dbraw/zinc/21/43/18/258214318.db2.gz ZPIIKNJTODOBAS-RDJZCZTQSA-N 1 0 351.472 2.615 20 5 FFBDRO Cc1c(CNC(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)cccc1[N+](=O)[O-] ZINC000332288635 258223369 /nfs/dbraw/zinc/22/33/69/258223369.db2.gz KTYVSOQUOUMRKF-KRWDZBQOSA-N 1 0 360.458 2.777 20 5 FFBDRO C[NH+](C)CC1CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 ZINC000332478497 258231759 /nfs/dbraw/zinc/23/17/59/258231759.db2.gz XKOQKXDRFFMRPJ-UHFFFAOYSA-N 1 0 360.458 2.609 20 5 FFBDRO O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000373055295 512150845 /nfs/dbraw/zinc/15/08/45/512150845.db2.gz XPLMBVYCEJEQHD-RISCZKNCSA-N 1 0 358.423 2.542 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000064857606 506236608 /nfs/dbraw/zinc/23/66/08/506236608.db2.gz RCRMYMIPRFFEBW-FPMFFAJLSA-N 1 0 367.833 2.759 20 5 FFBDRO C[NH+](C)C1(CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CCCCC1 ZINC000065716252 506349328 /nfs/dbraw/zinc/34/93/28/506349328.db2.gz DMCVSPLXAYKNOA-UHFFFAOYSA-N 1 0 358.442 2.930 20 5 FFBDRO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000371019612 512180801 /nfs/dbraw/zinc/18/08/01/512180801.db2.gz SPXLVKHMAIDEOR-SJORKVTESA-N 1 0 372.469 2.799 20 5 FFBDRO CCN(C(=O)c1ccc([N+](=O)[O-])cn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000375209494 512212496 /nfs/dbraw/zinc/21/24/96/512212496.db2.gz FXZVIVXIMFUXBS-KRWDZBQOSA-N 1 0 354.410 2.726 20 5 FFBDRO C[C@@H]1[C@H](NC(=O)c2cc([O-])ccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000377347242 512226191 /nfs/dbraw/zinc/22/61/91/512226191.db2.gz QVJKBELFWPQPOR-CXAGYDPISA-N 1 0 355.394 2.693 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000366905878 512243143 /nfs/dbraw/zinc/24/31/43/512243143.db2.gz VBSAOUPOHRREDF-CQSZACIVSA-N 1 0 362.430 2.943 20 5 FFBDRO Cc1c(NC(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)cc(Br)cc1[N+](=O)[O-] ZINC000415646784 513361955 /nfs/dbraw/zinc/36/19/55/513361955.db2.gz DHPHXILVOCSATQ-GZMMTYOYSA-N 1 0 371.235 2.928 20 5 FFBDRO C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2CCOc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000066377695 506500597 /nfs/dbraw/zinc/50/05/97/506500597.db2.gz JXEBVYCAEYMYPY-JZXOWHBKSA-N 1 0 363.458 2.547 20 5 FFBDRO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000066474333 506530429 /nfs/dbraw/zinc/53/04/29/506530429.db2.gz SKXQGIPMWDDVTL-HZPDHXFCSA-N 1 0 363.458 2.990 20 5 FFBDRO Cc1c(C(=O)Nc2ccc(CN3CC[NH+](C)CC3)cc2)cccc1[N+](=O)[O-] ZINC000041664548 506540788 /nfs/dbraw/zinc/54/07/88/506540788.db2.gz KSISKKDLUBZJOA-UHFFFAOYSA-N 1 0 368.437 2.903 20 5 FFBDRO C[NH+](C)[C@H](CNC(=O)CCNc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000041799167 506551947 /nfs/dbraw/zinc/55/19/47/506551947.db2.gz UGMGCCFYYAFTMZ-KRWDZBQOSA-N 1 0 370.453 2.686 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000067052395 506738164 /nfs/dbraw/zinc/73/81/64/506738164.db2.gz VWPSVGMNTCPKAC-UHFFFAOYSA-N 1 0 363.483 2.995 20 5 FFBDRO COc1ccc(OCC[NH+]2CCC(c3c[nH]nc3C)CC2)c([N+](=O)[O-])c1 ZINC000375383949 512296423 /nfs/dbraw/zinc/29/64/23/512296423.db2.gz HPWFKAMWIDSURM-UHFFFAOYSA-N 1 0 360.414 2.893 20 5 FFBDRO COc1ccc(C(=O)N2C[C@@H]([NH+](C)C)Cc3ccccc32)cc1[N+](=O)[O-] ZINC000067208517 506794727 /nfs/dbraw/zinc/79/47/27/506794727.db2.gz DCIRCUVGCJQUIW-HNNXBMFYSA-N 1 0 355.394 2.737 20 5 FFBDRO Cc1ccc([C@H](CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)[NH+](C)C)cc1 ZINC000067267894 506810171 /nfs/dbraw/zinc/81/01/71/506810171.db2.gz YEBSMIBSVDLASX-KRWDZBQOSA-N 1 0 367.409 2.812 20 5 FFBDRO C[C@@H](CNC(=O)CSc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(C)CC1 ZINC000067273142 506813100 /nfs/dbraw/zinc/81/31/00/506813100.db2.gz GYZJFZPKFZDLIU-AWEZNQCLSA-N 1 0 351.472 2.924 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)c1 ZINC000067547282 506920466 /nfs/dbraw/zinc/92/04/66/506920466.db2.gz FNXVGMWESHSAIL-CQSZACIVSA-N 1 0 369.421 2.780 20 5 FFBDRO COc1ccc(CC(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000067911302 507050400 /nfs/dbraw/zinc/05/04/00/507050400.db2.gz SXOBXCXVFMKYLA-AWEZNQCLSA-N 1 0 363.458 2.773 20 5 FFBDRO CCCc1n[nH]c(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000068333444 507191277 /nfs/dbraw/zinc/19/12/77/507191277.db2.gz DAVPQPRFMLPCOG-MRXNPFEDSA-N 1 0 371.441 2.837 20 5 FFBDRO C[C@H]1CCC[N@H+](CCNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000047145531 507271682 /nfs/dbraw/zinc/27/16/82/507271682.db2.gz HUFIMNVYTOMTLD-HNNXBMFYSA-N 1 0 360.458 2.657 20 5 FFBDRO CC[NH+](CC)[C@H](CNC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000057480693 507276716 /nfs/dbraw/zinc/27/67/16/507276716.db2.gz CYONIVITHWRBQM-MRXNPFEDSA-N 1 0 361.398 2.766 20 5 FFBDRO Cn1cc(C[N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000371328811 512332853 /nfs/dbraw/zinc/33/28/53/512332853.db2.gz ZGRFKVMFUPHXBK-CVEARBPZSA-N 1 0 356.426 2.854 20 5 FFBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000069036120 507385461 /nfs/dbraw/zinc/38/54/61/507385461.db2.gz CJJCACFLQBULCC-HNNXBMFYSA-N 1 0 371.441 2.631 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000069124915 507415645 /nfs/dbraw/zinc/41/56/45/507415645.db2.gz ZTEXXIWCKGRXGY-INIZCTEOSA-N 1 0 367.471 2.542 20 5 FFBDRO O=C(CC[NH+]1CCN(c2ccccc2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000026158560 507563466 /nfs/dbraw/zinc/56/34/66/507563466.db2.gz AWXVTNMYMVZAHA-UHFFFAOYSA-N 1 0 354.410 2.746 20 5 FFBDRO Cc1ccc([C@H](CNC(=O)CNc2ccccc2[N+](=O)[O-])[NH+]2CCCC2)o1 ZINC000072072540 507745448 /nfs/dbraw/zinc/74/54/48/507745448.db2.gz IYTFBVGFHFEEJI-KRWDZBQOSA-N 1 0 372.425 2.861 20 5 FFBDRO COc1cc(CN2CC[NH+](C(C)C)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000028973267 507752844 /nfs/dbraw/zinc/75/28/44/507752844.db2.gz DNJGKYVYSVDGNQ-UHFFFAOYSA-N 1 0 359.373 2.731 20 5 FFBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000064735609 507807631 /nfs/dbraw/zinc/80/76/31/507807631.db2.gz AXRUUGOBIWWYFS-HLLBOEOZSA-N 1 0 361.442 2.837 20 5 FFBDRO O=C(COc1ccc([N+](=O)[O-])cc1)NCc1ccccc1C[NH+]1CCCC1 ZINC000030556387 507810465 /nfs/dbraw/zinc/81/04/65/507810465.db2.gz GZLMXWNPFBDSJD-UHFFFAOYSA-N 1 0 369.421 2.886 20 5 FFBDRO C[NH+](C)[C@@H](CNC(=O)COc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1 ZINC000030936918 507815090 /nfs/dbraw/zinc/81/50/90/507815090.db2.gz GASSGVBCGZQRIX-KRWDZBQOSA-N 1 0 361.373 2.532 20 5 FFBDRO Cc1cc(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)c(N)c([N+](=O)[O-])c1 ZINC000089393487 507835472 /nfs/dbraw/zinc/83/54/72/507835472.db2.gz ZEIRBQUUZCGXAX-UHFFFAOYSA-N 1 0 369.425 2.527 20 5 FFBDRO CC(C)[NH+](CCCNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000072717243 507846530 /nfs/dbraw/zinc/84/65/30/507846530.db2.gz JBVNIWNIHKUEEN-UHFFFAOYSA-N 1 0 357.476 2.523 20 5 FFBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000072725438 507848178 /nfs/dbraw/zinc/84/81/78/507848178.db2.gz XMXZCGOLBDNOOT-AWEZNQCLSA-N 1 0 368.865 2.993 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000108305860 507886039 /nfs/dbraw/zinc/88/60/39/507886039.db2.gz IRJKUBKZTNWJIQ-SMDDNHRTSA-N 1 0 367.833 2.616 20 5 FFBDRO COc1ccc(OCC[N@@H+]2CCC[C@@H](Cc3nccn3C)C2)c([N+](=O)[O-])c1 ZINC000090004205 507900085 /nfs/dbraw/zinc/90/00/85/507900085.db2.gz NZCVAFPRVALXHZ-HNNXBMFYSA-N 1 0 374.441 2.670 20 5 FFBDRO C[C@H](CNc1ccc([N+](=O)[O-])c(-c2ccccc2)n1)N1CC[NH+](C)CC1 ZINC000090089316 507907946 /nfs/dbraw/zinc/90/79/46/507907946.db2.gz LSUBOSLTBCFONF-OAHLLOKOSA-N 1 0 355.442 2.705 20 5 FFBDRO Nc1c(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc(F)cc1[N+](=O)[O-] ZINC000108625012 507909612 /nfs/dbraw/zinc/90/96/12/507909612.db2.gz ZLZWZHPAGJDRGJ-OAHLLOKOSA-N 1 0 372.400 2.711 20 5 FFBDRO CCN1CCN(C(=O)CC2CCN(c3c(C)cccc3[N+](=O)[O-])CC2)CC1 ZINC000108847165 507921856 /nfs/dbraw/zinc/92/18/56/507921856.db2.gz SEJMIRHCOSSQKH-UHFFFAOYSA-N 1 0 374.485 2.674 20 5 FFBDRO Cc1c(C(=O)N2CC[NH+](C3CCCC3)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000079117708 507934426 /nfs/dbraw/zinc/93/44/26/507934426.db2.gz WHYSIUDNIUFFQC-UHFFFAOYSA-N 1 0 362.386 2.512 20 5 FFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H]([NH+](C)C)C1 ZINC000109808328 507988622 /nfs/dbraw/zinc/98/86/22/507988622.db2.gz UCDJOFBJLNVEAM-YPMHNXCESA-N 1 0 354.838 2.601 20 5 FFBDRO CN(CC(=O)N1CCC[C@H]1C[NH+]1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000079961385 508020717 /nfs/dbraw/zinc/02/07/17/508020717.db2.gz XYRSFCFOGIGNSN-INIZCTEOSA-N 1 0 360.458 2.508 20 5 FFBDRO C[C@@H](NC(=O)N1CCN(c2cc[nH+]cc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000080045495 508029841 /nfs/dbraw/zinc/02/98/41/508029841.db2.gz YXCTWFHXAZKDKE-CQSZACIVSA-N 1 0 355.398 2.583 20 5 FFBDRO Nc1c(C(=O)NCCCCC[NH+]2CCCCC2)cc(F)cc1[N+](=O)[O-] ZINC000111039541 508066344 /nfs/dbraw/zinc/06/63/44/508066344.db2.gz JHAOSCUUZCLYMX-UHFFFAOYSA-N 1 0 352.410 2.702 20 5 FFBDRO COCC[N@H+](CCO)Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000093006014 508114035 /nfs/dbraw/zinc/11/40/35/508114035.db2.gz QUDHKAPHYGRGQI-UHFFFAOYSA-N 1 0 364.373 2.967 20 5 FFBDRO COC(=O)C(C)(C)[C@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000093282271 508134210 /nfs/dbraw/zinc/13/42/10/508134210.db2.gz OMMPRFUOBKGCEE-AWEZNQCLSA-N 1 0 350.415 2.885 20 5 FFBDRO COC(=O)C(C)(C)[C@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000093298381 508135897 /nfs/dbraw/zinc/13/58/97/508135897.db2.gz DGCWZMXSFSRZDW-AWEZNQCLSA-N 1 0 350.415 2.885 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[C@H](C)C1 ZINC000081095402 508136546 /nfs/dbraw/zinc/13/65/46/508136546.db2.gz ZMQCLQMABAHUAS-CZUORRHYSA-N 1 0 359.430 2.807 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000112076460 508148663 /nfs/dbraw/zinc/14/86/63/508148663.db2.gz SFORPTJIGWRCGI-UHFFFAOYSA-N 1 0 361.364 2.994 20 5 FFBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000081333772 508163575 /nfs/dbraw/zinc/16/35/75/508163575.db2.gz NQKNYUSFNJREBT-OAHLLOKOSA-N 1 0 358.442 2.740 20 5 FFBDRO Cc1nn(CCC(=O)Nc2ccc(CC[NH+](C)C)cc2)c(C)c1[N+](=O)[O-] ZINC000076158072 508165337 /nfs/dbraw/zinc/16/53/37/508165337.db2.gz HGWXUBDZMOMQNE-UHFFFAOYSA-N 1 0 359.430 2.541 20 5 FFBDRO Cc1nc2n(n1)C[C@H]([NH2+]Cc1cc(=O)oc3ccc4ccccc4c13)CC2 ZINC000112549080 508195106 /nfs/dbraw/zinc/19/51/06/508195106.db2.gz MRYFAWIHQJBYGH-MRXNPFEDSA-N 1 0 360.417 2.951 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000076481269 508212093 /nfs/dbraw/zinc/21/20/93/508212093.db2.gz YHKBHFBNURRJNA-CXAGYDPISA-N 1 0 360.458 2.971 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+](Cc2cccc(O)c2)CC2CC2)c1 ZINC000112978955 508236663 /nfs/dbraw/zinc/23/66/63/508236663.db2.gz ANFQVJZRNRGSLY-IBGZPJMESA-N 1 0 372.421 2.952 20 5 FFBDRO Cc1c(NC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)cccc1[N+](=O)[O-] ZINC000077182016 508284459 /nfs/dbraw/zinc/28/44/59/508284459.db2.gz CJEJBZBTCXIKIE-AWEZNQCLSA-N 1 0 362.430 2.526 20 5 FFBDRO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1CCC([NH2+]C(C)C)CC1 ZINC000077216064 508288972 /nfs/dbraw/zinc/28/89/72/508288972.db2.gz GZPXBHYTFVCKBZ-UHFFFAOYSA-N 1 0 353.394 2.877 20 5 FFBDRO COc1cc(C[NH2+]C[C@](C)(O)c2ccsc2)c([N+](=O)[O-])cc1OC ZINC000077460400 508319000 /nfs/dbraw/zinc/31/90/00/508319000.db2.gz YPWOYKVGCZBHOO-INIZCTEOSA-N 1 0 352.412 2.671 20 5 FFBDRO CC[NH+]1CCC(N(C)C(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000105599413 508377335 /nfs/dbraw/zinc/37/73/35/508377335.db2.gz GXTGPECBDUTKIZ-GFCCVEGCSA-N 1 0 369.849 2.958 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(NCc2cccc(C(=O)NCC[NH+](C)C)c2)c1 ZINC000088718784 508381800 /nfs/dbraw/zinc/38/18/00/508381800.db2.gz LVEDOHHKCDYTJY-UHFFFAOYSA-N 1 0 356.426 2.807 20 5 FFBDRO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000133600089 508422833 /nfs/dbraw/zinc/42/28/33/508422833.db2.gz NUKJZUSNAXNDJH-MLGOLLRUSA-N 1 0 365.405 2.831 20 5 FFBDRO C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C[N@@H+]1C1CC1 ZINC000133779928 508448373 /nfs/dbraw/zinc/44/83/73/508448373.db2.gz MZMQTUPOBVSRRH-BXKDBHETSA-N 1 0 357.332 2.969 20 5 FFBDRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000121999657 508464631 /nfs/dbraw/zinc/46/46/31/508464631.db2.gz VSGGRZLGYLGSBQ-TVQRCGJNSA-N 1 0 356.220 2.699 20 5 FFBDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000116063649 508468549 /nfs/dbraw/zinc/46/85/49/508468549.db2.gz BVYMOQIPERDDJA-OAHLLOKOSA-N 1 0 371.441 2.523 20 5 FFBDRO C[C@H]([NH2+]CCN1C(=O)CNC1=O)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000134084818 508490487 /nfs/dbraw/zinc/49/04/87/508490487.db2.gz OICKHYUTPHTZFP-NSHDSACASA-N 1 0 374.422 2.526 20 5 FFBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@@H](CO)Cc2ccccc2)c1 ZINC000152705674 508498867 /nfs/dbraw/zinc/49/88/67/508498867.db2.gz WESVJERWESLAIH-CQSZACIVSA-N 1 0 352.337 2.889 20 5 FFBDRO C[C@@H](C(=O)N(C)C1CCCCC1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000122355610 508522045 /nfs/dbraw/zinc/52/20/45/508522045.db2.gz FSBGLTGEKSMIIQ-INIZCTEOSA-N 1 0 374.485 2.896 20 5 FFBDRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000122382552 508526258 /nfs/dbraw/zinc/52/62/58/508526258.db2.gz CUHVJKYPDHMZGU-INIZCTEOSA-N 1 0 358.442 2.753 20 5 FFBDRO COc1ccc(C(=O)N(CC[NH+](C)C)Cc2cccc(O)c2)cc1[N+](=O)[O-] ZINC000157217505 508538922 /nfs/dbraw/zinc/53/89/22/508538922.db2.gz MMEHLWWLJPQGIA-UHFFFAOYSA-N 1 0 373.409 2.513 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000123020958 508623308 /nfs/dbraw/zinc/62/33/08/508623308.db2.gz FKDWMONPWZISPS-UHFFFAOYSA-N 1 0 350.419 2.989 20 5 FFBDRO COc1ccc(OCC[N@H+](C)[C@@H]2CCCc3c2cnn3C)c([N+](=O)[O-])c1 ZINC000135593984 508629511 /nfs/dbraw/zinc/62/95/11/508629511.db2.gz YYWACIFTAPMQDG-OAHLLOKOSA-N 1 0 360.414 2.725 20 5 FFBDRO CC1CC[NH+](C2CCC(NC(=O)c3cccc([N+](=O)[O-])c3N)CC2)CC1 ZINC000128731790 508636074 /nfs/dbraw/zinc/63/60/74/508636074.db2.gz NBNGULXLBKBOTL-UHFFFAOYSA-N 1 0 360.458 2.950 20 5 FFBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H](C)CN2CCOCC2)cc1[N+](=O)[O-] ZINC000153901946 508673436 /nfs/dbraw/zinc/67/34/36/508673436.db2.gz FLSQBSSYHZZVNM-HUUCEWRRSA-N 1 0 351.447 2.612 20 5 FFBDRO CCC[N@H+](CC)CCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000123387384 508678781 /nfs/dbraw/zinc/67/87/81/508678781.db2.gz VMCLFZJDHJGXEK-UHFFFAOYSA-N 1 0 358.236 2.819 20 5 FFBDRO C[C@H]1C[C@@H](N(C)C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000123419124 508684034 /nfs/dbraw/zinc/68/40/34/508684034.db2.gz ZECRQZLQAFJAKE-HOCLYGCPSA-N 1 0 360.458 2.750 20 5 FFBDRO CC[C@@H](NC(=O)c1ccnc(OCC[NH+](C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000119061465 508717625 /nfs/dbraw/zinc/71/76/25/508717625.db2.gz OULXNNXQBRUKRG-QGZVFWFLSA-N 1 0 372.425 2.811 20 5 FFBDRO CCC[N@@H+]1CC[C@@H](CNC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000158596104 508726620 /nfs/dbraw/zinc/72/66/20/508726620.db2.gz JHXHZGVBCWSGJM-KRWDZBQOSA-N 1 0 362.474 2.949 20 5 FFBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)NC1CC[NH+](C2CC2)CC1 ZINC000119123306 508730846 /nfs/dbraw/zinc/73/08/46/508730846.db2.gz NCMMKRQMMRSGEO-UHFFFAOYSA-N 1 0 360.458 2.844 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+](CCO)Cc3cccnc3)o2)c1 ZINC000129650391 508750618 /nfs/dbraw/zinc/75/06/18/508750618.db2.gz BYKVWFCXLYNLSS-UHFFFAOYSA-N 1 0 368.393 2.682 20 5 FFBDRO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)CC(C)(C)CN1CCOCC1 ZINC000123874851 508751557 /nfs/dbraw/zinc/75/15/57/508751557.db2.gz LJQNJCDHFPSESP-UHFFFAOYSA-N 1 0 362.430 2.526 20 5 FFBDRO COC(=O)C1([N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CCCC1 ZINC000159219174 508809836 /nfs/dbraw/zinc/80/98/36/508809836.db2.gz FMWMKKMPOOILER-UHFFFAOYSA-N 1 0 363.414 2.649 20 5 FFBDRO O=C(NCc1ccccc1[N+](=O)[O-])N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000124322104 508814992 /nfs/dbraw/zinc/81/49/92/508814992.db2.gz LFHSQGZGOXFUBT-DOTOQJQBSA-N 1 0 358.442 2.753 20 5 FFBDRO CC1CCN(c2ccc(C(=O)NC[C@@H]3CCCC[NH2+]3)cc2[N+](=O)[O-])CC1 ZINC000130758195 508841799 /nfs/dbraw/zinc/84/17/99/508841799.db2.gz BIGJHZFSAKCZKG-INIZCTEOSA-N 1 0 360.458 2.703 20 5 FFBDRO CC1(C)C[C@@H]([NH2+]CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C(C)(C)O1 ZINC000119686120 508843711 /nfs/dbraw/zinc/84/37/11/508843711.db2.gz WGTQIJREAZNNPR-OAHLLOKOSA-N 1 0 363.414 2.829 20 5 FFBDRO CC[C@@H]([NH2+]CCc1ccc(S(N)(=O)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000119708493 508847940 /nfs/dbraw/zinc/84/79/40/508847940.db2.gz FCXRZKGLBZUCOD-QGZVFWFLSA-N 1 0 363.439 2.526 20 5 FFBDRO O=C(CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1)Nc1ccc2c(c1)OCO2 ZINC000130919297 508865059 /nfs/dbraw/zinc/86/50/59/508865059.db2.gz SEDMUTVFAFTIOD-UHFFFAOYSA-N 1 0 369.377 2.927 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CCn3ccnc3)CC2)c(C(F)(F)F)c1 ZINC000131062163 508882507 /nfs/dbraw/zinc/88/25/07/508882507.db2.gz WYCSBJKAXPSICU-UHFFFAOYSA-N 1 0 369.347 2.632 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2noc(CN3CC[C@H](C[NH+]4CCCC4)C3)n2)c1 ZINC000150817873 508900040 /nfs/dbraw/zinc/90/00/40/508900040.db2.gz ZJDFGVZGIJCNGX-CQSZACIVSA-N 1 0 357.414 2.563 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)CCC(=O)OC(C)(C)C ZINC000150830076 508902838 /nfs/dbraw/zinc/90/28/38/508902838.db2.gz PZTBMZPPDVOSFV-UHFFFAOYSA-N 1 0 365.430 2.895 20 5 FFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@](C)(O)c1ccsc1 ZINC000159973998 508919280 /nfs/dbraw/zinc/91/92/80/508919280.db2.gz NLVJFBAYZYXBDS-YVEFUNNKSA-N 1 0 363.439 2.871 20 5 FFBDRO CCC[NH+]1CCC(CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000131760452 508967701 /nfs/dbraw/zinc/96/77/01/508967701.db2.gz BFFHSQVGLGGLME-UHFFFAOYSA-N 1 0 356.426 2.995 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000125379685 508974396 /nfs/dbraw/zinc/97/43/96/508974396.db2.gz NMNIODQFXIBEPG-IAGOWNOFSA-N 1 0 374.485 2.534 20 5 FFBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000132320176 509014542 /nfs/dbraw/zinc/01/45/42/509014542.db2.gz XMZNIQXGMGRPNN-LBPRGKRZSA-N 1 0 367.471 2.546 20 5 FFBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000151627834 509055453 /nfs/dbraw/zinc/05/54/53/509055453.db2.gz HDZZCZGKLGPFOO-CYBMUJFWSA-N 1 0 370.247 2.500 20 5 FFBDRO CC(C)[NH2+]CCCNC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000151836511 509093223 /nfs/dbraw/zinc/09/32/23/509093223.db2.gz ODANKBUHWPYBJC-UHFFFAOYSA-N 1 0 362.474 2.949 20 5 FFBDRO C[C@H](CC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[S@](C)=O ZINC000133319466 509146730 /nfs/dbraw/zinc/14/67/30/509146730.db2.gz UBNJSEZESRBJAC-QVQLBTGDSA-N 1 0 353.469 2.965 20 5 FFBDRO [NH3+]C[C@@H]1CCCN1c1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000156225679 509146817 /nfs/dbraw/zinc/14/68/17/509146817.db2.gz YFWKWOWVDAYHMG-JTQLQIEISA-N 1 0 351.204 2.833 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000126973446 509154447 /nfs/dbraw/zinc/15/44/47/509154447.db2.gz RRBTUICLUFRAPR-CTHBEMJXSA-N 1 0 362.348 2.700 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)n1 ZINC000121385404 509171022 /nfs/dbraw/zinc/17/10/22/509171022.db2.gz WPCSMMNOXKNOAT-ZIAGYGMSSA-N 1 0 357.414 2.919 20 5 FFBDRO Cc1cc(C(=O)N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)ccc1[N+](=O)[O-] ZINC000162237758 509181340 /nfs/dbraw/zinc/18/13/40/509181340.db2.gz UWNNNOWWXCFGDE-IAGOWNOFSA-N 1 0 374.485 2.534 20 5 FFBDRO CC1CC[NH+](Cc2ccc(NC(=O)c3c([N+](=O)[O-])cnn3C)cc2)CC1 ZINC000162357335 509207322 /nfs/dbraw/zinc/20/73/22/509207322.db2.gz DQUXJOMGSSSEDQ-UHFFFAOYSA-N 1 0 357.414 2.813 20 5 FFBDRO Cc1c(C(=O)NCC2([NH+]3CCCCC3)CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000172755286 509214516 /nfs/dbraw/zinc/21/45/16/509214516.db2.gz UDKRQIYYCBPWOA-UHFFFAOYSA-N 1 0 374.485 2.583 20 5 FFBDRO C[C@@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)[N@@H+]1CCc2ccccc2C1 ZINC000172761868 509219451 /nfs/dbraw/zinc/21/94/51/509219451.db2.gz IUHFWEIRDDDGSW-HNNXBMFYSA-N 1 0 353.422 2.700 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)c1 ZINC000248068519 509229026 /nfs/dbraw/zinc/22/90/26/509229026.db2.gz QALPSCAZVBXVPE-FUHWJXTLSA-N 1 0 355.394 2.779 20 5 FFBDRO O=C(CCc1cccc([N+](=O)[O-])c1)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000175956412 509236510 /nfs/dbraw/zinc/23/65/10/509236510.db2.gz CFDGIZIKZPHRFX-UHFFFAOYSA-N 1 0 368.437 2.703 20 5 FFBDRO CCC[NH+]1CCC(CNS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000191909083 509240487 /nfs/dbraw/zinc/24/04/87/509240487.db2.gz LQWRHNNELZZEET-UHFFFAOYSA-N 1 0 369.487 2.612 20 5 FFBDRO C[C@@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@H]1COc2ccccc21 ZINC000185645691 509283552 /nfs/dbraw/zinc/28/35/52/509283552.db2.gz OHTRSWFZYHAMER-CXAGYDPISA-N 1 0 355.394 2.712 20 5 FFBDRO C[N@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)CC1(O)CCOCC1 ZINC000188839498 509287412 /nfs/dbraw/zinc/28/74/12/509287412.db2.gz CQVPCMCMOICDDA-UHFFFAOYSA-N 1 0 363.439 2.692 20 5 FFBDRO C[NH+](C)[C@H]1CCCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000182606851 509329983 /nfs/dbraw/zinc/32/99/83/509329983.db2.gz RCCRFCFHKSMMCC-LBPRGKRZSA-N 1 0 357.863 2.893 20 5 FFBDRO COc1cccc([C@@H](CNC(=O)Cc2cccc([N+](=O)[O-])c2)[NH+](C)C)c1 ZINC000172981706 509335071 /nfs/dbraw/zinc/33/50/71/509335071.db2.gz JESIMAATDBMHOQ-GOSISDBHSA-N 1 0 357.410 2.565 20 5 FFBDRO C[C@H]1CN(C)c2ccccc2C[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248474789 509335979 /nfs/dbraw/zinc/33/59/79/509335979.db2.gz XJHJMEHATADSRF-DOTOQJQBSA-N 1 0 371.437 2.675 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000248473138 509336306 /nfs/dbraw/zinc/33/63/06/509336306.db2.gz WRDMEHURAVYZBO-UNEWFSDZSA-N 1 0 352.456 2.695 20 5 FFBDRO C[C@@H]([NH3+])[C@H]1CN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)CCO1 ZINC000163199884 509352145 /nfs/dbraw/zinc/35/21/45/509352145.db2.gz HVRNCIYNJBOCGI-FZKQIMNGSA-N 1 0 370.409 2.527 20 5 FFBDRO O=C(NCCC[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1Br ZINC000182655090 509353736 /nfs/dbraw/zinc/35/37/36/509353736.db2.gz GBTNVUTZGKOHDS-UHFFFAOYSA-N 1 0 370.247 2.963 20 5 FFBDRO COc1cc(C[NH2+][C@H](CO)Cc2cccc(C)c2)c([N+](=O)[O-])cc1OC ZINC000189021320 509372327 /nfs/dbraw/zinc/37/23/27/509372327.db2.gz KDYLBNJLWUFANZ-INIZCTEOSA-N 1 0 360.410 2.614 20 5 FFBDRO C[C@@H]1C[C@@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)C[N@@H+]1C1CC1 ZINC000185837997 509378746 /nfs/dbraw/zinc/37/87/46/509378746.db2.gz JNIJYKWZJMJAOO-ZYHUDNBSSA-N 1 0 352.822 2.673 20 5 FFBDRO COc1ccc(NC(=O)CC[N@@H+]2CCS[C@@H](C)CC2)c([N+](=O)[O-])c1 ZINC000192176020 509390151 /nfs/dbraw/zinc/39/01/51/509390151.db2.gz OFEQTCRIXCNVLJ-LBPRGKRZSA-N 1 0 353.444 2.759 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCS[C@H](C)CC1 ZINC000192192798 509396620 /nfs/dbraw/zinc/39/66/20/509396620.db2.gz OFBNQNZIIXQEMT-GFCCVEGCSA-N 1 0 353.444 2.759 20 5 FFBDRO CN(CC1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000264235608 509400373 /nfs/dbraw/zinc/40/03/73/509400373.db2.gz SXTQWZVNRQTRPP-UHFFFAOYSA-N 1 0 360.458 2.609 20 5 FFBDRO COc1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000248716307 509449265 /nfs/dbraw/zinc/44/92/65/509449265.db2.gz BWGZVRNRUNFATM-WMLDXEAASA-N 1 0 369.421 2.854 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N[C@H]3CCC[C@@H]3C[NH3+])cc2[N+](=O)[O-])CC1 ZINC000236671647 509476755 /nfs/dbraw/zinc/47/67/55/509476755.db2.gz ZFWXOSJLTGVELO-CVEARBPZSA-N 1 0 360.458 2.688 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)[C@H](C)C1 ZINC000173259545 509485077 /nfs/dbraw/zinc/48/50/77/509485077.db2.gz XMICXBFCERNSMY-CJNGLKHVSA-N 1 0 369.487 2.562 20 5 FFBDRO CCC(CC)(C[NH3+])NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000236761365 509496997 /nfs/dbraw/zinc/49/69/97/509496997.db2.gz KBBNANHMSWRVOQ-UHFFFAOYSA-N 1 0 351.450 2.788 20 5 FFBDRO O=C1CCCN1C[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000179562464 509513945 /nfs/dbraw/zinc/51/39/45/509513945.db2.gz BWRLQEOUPWNHCU-KRWDZBQOSA-N 1 0 369.421 2.927 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000248880613 509526202 /nfs/dbraw/zinc/52/62/02/509526202.db2.gz RPWNZFGHIWXNIO-RDTXWAMCSA-N 1 0 369.421 2.854 20 5 FFBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000248907188 509540164 /nfs/dbraw/zinc/54/01/64/509540164.db2.gz UYOOUKDRAJTEKV-HNAYVOBHSA-N 1 0 369.421 2.610 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H](c2ccccc2)c2ccc(F)cc2)c1 ZINC000173368587 509557250 /nfs/dbraw/zinc/55/72/50/509557250.db2.gz ZWCLRCRIDRVHLF-MOPGFXCFSA-N 1 0 370.384 2.671 20 5 FFBDRO C[NH2+]C[C@H]1CCCN(C(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)C1 ZINC000237071567 509563910 /nfs/dbraw/zinc/56/39/10/509563910.db2.gz RMPJATWHMHTIOU-MRXNPFEDSA-N 1 0 374.485 2.903 20 5 FFBDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000165915106 509588981 /nfs/dbraw/zinc/58/89/81/509588981.db2.gz YUYZDMIOEXTOAU-NXEZZACHSA-N 1 0 356.220 2.557 20 5 FFBDRO C[C@H]1CCCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)[C@@H]1C[NH3+] ZINC000165915986 509589291 /nfs/dbraw/zinc/58/92/91/509589291.db2.gz FTMIYZIVRKREDF-TVQRCGJNSA-N 1 0 356.220 2.557 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2nnc(CN3CC[C@@H]([NH+]4CCCCC4)C3)o2)cc1 ZINC000264559566 509600028 /nfs/dbraw/zinc/60/00/28/509600028.db2.gz FIEWSSZALNTKHC-MRXNPFEDSA-N 1 0 357.414 2.705 20 5 FFBDRO CN(C(=O)C[NH2+][C@@H](CCCO)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000179746953 509602514 /nfs/dbraw/zinc/60/25/14/509602514.db2.gz QRFHPGXQVWNSQZ-SFHVURJKSA-N 1 0 357.410 2.661 20 5 FFBDRO C[NH2+]C[C@@H]1CCCN(C(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)C1 ZINC000237255366 509605700 /nfs/dbraw/zinc/60/57/00/509605700.db2.gz RMPJATWHMHTIOU-INIZCTEOSA-N 1 0 374.485 2.903 20 5 FFBDRO CN(CC(=O)NCc1ccc(F)c(C[NH+](C)C)c1)c1ccccc1[N+](=O)[O-] ZINC000173485188 509630897 /nfs/dbraw/zinc/63/08/97/509630897.db2.gz CFQIMCFZBHTEBI-UHFFFAOYSA-N 1 0 374.416 2.548 20 5 FFBDRO Cc1sc(C(=O)NCCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000176691715 509644915 /nfs/dbraw/zinc/64/49/15/509644915.db2.gz OHWXDTTTXFHECE-TXEJJXNPSA-N 1 0 355.460 2.584 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000237478056 509657862 /nfs/dbraw/zinc/65/78/62/509657862.db2.gz AFOOISBAHFWZLD-VXGBXAGGSA-N 1 0 355.822 2.521 20 5 FFBDRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000237544242 509674591 /nfs/dbraw/zinc/67/45/91/509674591.db2.gz ZDRNOOKXKIOYPS-MAUKXSAKSA-N 1 0 363.461 2.883 20 5 FFBDRO CC(C)C[C@@H]1OCCC[C@H]1[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000249417697 509675529 /nfs/dbraw/zinc/67/55/29/509675529.db2.gz GSOOLZTUMNWFBF-RKVPGOIHSA-N 1 0 352.431 2.518 20 5 FFBDRO NC(=O)COc1cccc(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000192908856 509695088 /nfs/dbraw/zinc/69/50/88/509695088.db2.gz GOMZBWOWLUZENU-GOSISDBHSA-N 1 0 355.394 2.626 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCC2(C[NH+](C)C)CCCC2)c1 ZINC000183305000 509707147 /nfs/dbraw/zinc/70/71/47/509707147.db2.gz GGKSOWPSWHDFCT-UHFFFAOYSA-N 1 0 363.458 2.910 20 5 FFBDRO Cn1nc2c(cc1=O)C[N@@H+](Cc1ccc(-c3cccc([N+](=O)[O-])c3)o1)CC2 ZINC000180014004 509710004 /nfs/dbraw/zinc/71/00/04/509710004.db2.gz AAMVBYGDHNMRQR-UHFFFAOYSA-N 1 0 366.377 2.507 20 5 FFBDRO COc1cc(CN2CCC[C@H]([NH+](C)C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000180057405 509729530 /nfs/dbraw/zinc/72/95/30/509729530.db2.gz FPUDTNNGXQAQKZ-ZDUSSCGKSA-N 1 0 373.400 2.773 20 5 FFBDRO C[N@H+](Cc1cc(=O)oc2ccc3ccccc3c12)CC1(O)CCOCC1 ZINC000189767337 509740545 /nfs/dbraw/zinc/74/05/45/509740545.db2.gz AVFOFNKXVPVSMA-UHFFFAOYSA-N 1 0 353.418 2.920 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)CCN1C(=O)c2ccccc2C1=O ZINC000183388286 509756016 /nfs/dbraw/zinc/75/60/16/509756016.db2.gz NLUMZXNKLPSUEL-UHFFFAOYSA-N 1 0 353.378 2.631 20 5 FFBDRO [NH3+]C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)C1CCCCC1 ZINC000237908223 509771602 /nfs/dbraw/zinc/77/16/02/509771602.db2.gz NVBXZYISQQBHDO-AWEZNQCLSA-N 1 0 370.247 2.995 20 5 FFBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000176937317 509775453 /nfs/dbraw/zinc/77/54/53/509775453.db2.gz RXRIWWVXBIEVDI-UHFFFAOYSA-N 1 0 367.471 2.589 20 5 FFBDRO C[NH+](C)Cc1ccsc1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000268144521 509778657 /nfs/dbraw/zinc/77/86/57/509778657.db2.gz QIUNKYPTRVVBCG-UHFFFAOYSA-N 1 0 374.466 2.680 20 5 FFBDRO [NH3+]C[C@H]1CCCCN1C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000237942143 509779781 /nfs/dbraw/zinc/77/97/81/509779781.db2.gz HEFPEAJWQSKKHS-GFCCVEGCSA-N 1 0 374.363 2.755 20 5 FFBDRO Cc1c([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cnn1C ZINC000183459780 509804254 /nfs/dbraw/zinc/80/42/54/509804254.db2.gz KMEYMQXFCPMDQE-ZJUUUORDSA-N 1 0 365.821 2.968 20 5 FFBDRO C[C@H]1CN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC[N@@H+]1CC(C)(C)O ZINC000189884874 509809016 /nfs/dbraw/zinc/80/90/16/509809016.db2.gz RSHDFRWAJUWUHD-AWEZNQCLSA-N 1 0 374.441 2.527 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000173845942 509812155 /nfs/dbraw/zinc/81/21/55/509812155.db2.gz FOLIDJFQCNANDU-ZBFHGGJFSA-N 1 0 367.471 2.539 20 5 FFBDRO O=C(NCC[NH2+]C1CCCCCC1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000238123007 509825703 /nfs/dbraw/zinc/82/57/03/509825703.db2.gz IDMZDAZSGONSAV-UHFFFAOYSA-N 1 0 371.441 2.823 20 5 FFBDRO CC[N@H+](C)C[C@H]1CCN(Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C1 ZINC000173889121 509835882 /nfs/dbraw/zinc/83/58/82/509835882.db2.gz HYILHIGSWBSHNE-GFCCVEGCSA-N 1 0 373.400 2.978 20 5 FFBDRO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC[C@H]([NH+]2CCCC2)C1 ZINC000177089196 509864271 /nfs/dbraw/zinc/86/42/71/509864271.db2.gz KEWRLGSHHPPLAL-LBPRGKRZSA-N 1 0 368.231 2.668 20 5 FFBDRO COc1ccc([C@@H]([NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C2CC2)cc1 ZINC000193354041 509878905 /nfs/dbraw/zinc/87/89/05/509878905.db2.gz MJJPXYXFADYODF-SFHVURJKSA-N 1 0 355.394 2.943 20 5 FFBDRO O=C(NCC[NH+]1CCCCCC1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000180348480 509880441 /nfs/dbraw/zinc/88/04/41/509880441.db2.gz OUOXCCQZPGPKGK-UHFFFAOYSA-N 1 0 357.357 2.802 20 5 FFBDRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000177138842 509895117 /nfs/dbraw/zinc/89/51/17/509895117.db2.gz DWXKROFEJHXYPI-ZYHUDNBSSA-N 1 0 370.356 2.897 20 5 FFBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000245408744 509911014 /nfs/dbraw/zinc/91/10/14/509911014.db2.gz ISMQWZOOEWKVPE-CABCVRRESA-N 1 0 371.224 2.688 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C1 ZINC000245432935 509928993 /nfs/dbraw/zinc/92/89/93/509928993.db2.gz OYJZDIHMMSOEPM-BLLLJJGKSA-N 1 0 368.865 2.849 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@@H](C)C1 ZINC000245438038 509932777 /nfs/dbraw/zinc/93/27/77/509932777.db2.gz RYRGAODWMDIWLJ-XJKSGUPXSA-N 1 0 359.430 2.807 20 5 FFBDRO Nc1ccc([N+](=O)[O-])c(NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c1 ZINC000193529157 509951307 /nfs/dbraw/zinc/95/13/07/509951307.db2.gz JKXKBQSKOUNXET-KRWDZBQOSA-N 1 0 356.426 2.880 20 5 FFBDRO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000180531206 509969540 /nfs/dbraw/zinc/96/95/40/509969540.db2.gz CHIPZPVINPFHAW-NSHDSACASA-N 1 0 370.247 2.962 20 5 FFBDRO COC(=O)c1cnc(NCCCC[NH+]2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000190168231 509982132 /nfs/dbraw/zinc/98/21/32/509982132.db2.gz NLAFRPUHVUSAIQ-UHFFFAOYSA-N 1 0 350.419 2.700 20 5 FFBDRO C[N@@H+]1CC[C@@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1 ZINC000245631612 510049879 /nfs/dbraw/zinc/04/98/79/510049879.db2.gz IBMBRSMXNJWZTA-QZTJIDSGSA-N 1 0 354.410 2.839 20 5 FFBDRO O=C(CCOc1ccccc1[N+](=O)[O-])Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000261751205 510050666 /nfs/dbraw/zinc/05/06/66/510050666.db2.gz PFENHGTVXQJYIC-UHFFFAOYSA-N 1 0 359.357 2.787 20 5 FFBDRO COC(=O)[C@]1(C)CC[N@@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000177425874 510050736 /nfs/dbraw/zinc/05/07/36/510050736.db2.gz JXKKXJSJZSHVDP-PIGZYNQJSA-N 1 0 360.370 2.591 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1CN(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000190310364 510055164 /nfs/dbraw/zinc/05/51/64/510055164.db2.gz UAVBDTDWEAHHRR-OAQYLSRUSA-N 1 0 369.465 2.972 20 5 FFBDRO Nc1cccc([N+](=O)[O-])c1C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000180723904 510074200 /nfs/dbraw/zinc/07/42/00/510074200.db2.gz MBJPPVRWZPIFTB-UHFFFAOYSA-N 1 0 374.466 2.881 20 5 FFBDRO O=C(CN(Cc1cccnc1)C1CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000180730231 510078076 /nfs/dbraw/zinc/07/80/76/510078076.db2.gz HBIIPUQREKQVER-UHFFFAOYSA-N 1 0 352.394 2.544 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000180745423 510086064 /nfs/dbraw/zinc/08/60/64/510086064.db2.gz NTKGCEJHNJVIJW-UHFFFAOYSA-N 1 0 361.442 2.559 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1ccc2c(c1)CC(=O)N2C ZINC000268859816 510104457 /nfs/dbraw/zinc/10/44/57/510104457.db2.gz JFPXWHBTHATEHZ-GFCCVEGCSA-N 1 0 355.394 2.973 20 5 FFBDRO C[NH+](C)CCC1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000265542520 510107900 /nfs/dbraw/zinc/10/79/00/510107900.db2.gz HRFAETARJOBPRU-UHFFFAOYSA-N 1 0 353.850 2.981 20 5 FFBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC[C@@H]([NH+](C)C)C1 ZINC000245799009 510149427 /nfs/dbraw/zinc/14/94/27/510149427.db2.gz HUDIGWLJTUBFFQ-WCQYABFASA-N 1 0 354.838 2.601 20 5 FFBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000174525601 510160972 /nfs/dbraw/zinc/16/09/72/510160972.db2.gz MLADBAKDULPIES-INIZCTEOSA-N 1 0 360.458 2.731 20 5 FFBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)C1 ZINC000174542552 510169394 /nfs/dbraw/zinc/16/93/94/510169394.db2.gz YUBUIWWWBSQZTB-ZDUSSCGKSA-N 1 0 364.402 2.534 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@]3(CO)CCOC3)o2)c(Cl)c1 ZINC000184194826 510186605 /nfs/dbraw/zinc/18/66/05/510186605.db2.gz PEMWOVWNXNYXTH-MRXNPFEDSA-N 1 0 352.774 2.749 20 5 FFBDRO Cn1ccnc1[C@@H]1C[NH2+]CCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000262139547 510190965 /nfs/dbraw/zinc/19/09/65/510190965.db2.gz YYUQUZVFUSYUGE-KRWDZBQOSA-N 1 0 367.409 2.735 20 5 FFBDRO Cc1nn(C)c(C(=O)N[C@H](C[N@H+](C)Cc2ccccc2)C(C)C)c1[N+](=O)[O-] ZINC000187322041 510193005 /nfs/dbraw/zinc/19/30/05/510193005.db2.gz PVTCVMMPFWPCPE-MRXNPFEDSA-N 1 0 373.457 2.523 20 5 FFBDRO Cc1ccc([C@H](C)[NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])s1 ZINC000180941674 510197451 /nfs/dbraw/zinc/19/74/51/510197451.db2.gz ZQXZIBZIRFFXHJ-LBPRGKRZSA-N 1 0 369.468 2.594 20 5 FFBDRO C[C@@H](Nc1ccc(C(=O)NCCCC[NH3+])cc1[N+](=O)[O-])c1ccccn1 ZINC000262243787 510219693 /nfs/dbraw/zinc/21/96/93/510219693.db2.gz PGYPBXSTQGBWPY-CYBMUJFWSA-N 1 0 357.414 2.632 20 5 FFBDRO COc1cc(C[NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)c([N+](=O)[O-])cc1OC ZINC000269152070 510260007 /nfs/dbraw/zinc/26/00/07/510260007.db2.gz QEPZMJCLINMSTL-DYVFJYSZSA-N 1 0 368.455 2.756 20 5 FFBDRO CC[NH2+]Cc1cccc(NC(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)c1 ZINC000269183225 510277412 /nfs/dbraw/zinc/27/74/12/510277412.db2.gz IXTNWDVBNXRQKM-UHFFFAOYSA-N 1 0 359.382 2.974 20 5 FFBDRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000269190396 510282601 /nfs/dbraw/zinc/28/26/01/510282601.db2.gz HOUAKQUWFSYISU-LDYMZIIASA-N 1 0 374.210 2.744 20 5 FFBDRO C[C@H]1C[C@H]([N@H+](C)CCn2cc([N+](=O)[O-])cn2)CCN1Cc1ccccc1 ZINC000174870556 510356624 /nfs/dbraw/zinc/35/66/24/510356624.db2.gz PNJOUZXSNYLMQL-FUHWJXTLSA-N 1 0 357.458 2.776 20 5 FFBDRO Cc1c(NC(=O)[C@H](C)N2CC[C@@H](C[NH+]3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000246201210 510357044 /nfs/dbraw/zinc/35/70/44/510357044.db2.gz NNZXVADMAXOUMG-HOTGVXAUSA-N 1 0 360.458 2.648 20 5 FFBDRO C[C@H]1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@H]1n1ccnc1 ZINC000246254822 510391554 /nfs/dbraw/zinc/39/15/54/510391554.db2.gz JXYLTASMCOKQSE-SUMWQHHRSA-N 1 0 358.398 2.741 20 5 FFBDRO COc1cc(CN2[C@@H](C)CCC[C@H]2CO)c([N+](=O)[O-])cc1OC(F)F ZINC000181404114 510391715 /nfs/dbraw/zinc/39/17/15/510391715.db2.gz RYTZDVKFBDRKQO-JQWIXIFHSA-N 1 0 360.357 2.940 20 5 FFBDRO C[C@@H]1[NH2+]CCN(C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@H]1C ZINC000262853257 510440724 /nfs/dbraw/zinc/44/07/24/510440724.db2.gz SOXIUGINGCRYAM-QWRGUYRKSA-N 1 0 374.363 2.624 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(O)c1 ZINC000181533690 510459731 /nfs/dbraw/zinc/45/97/31/510459731.db2.gz SEMDTVAYVBLDRG-RYUDHWBXSA-N 1 0 359.382 2.987 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N[C@H]3CC[NH2+][C@@H](C)C3)cc2[N+](=O)[O-])CC1 ZINC000262900612 510466291 /nfs/dbraw/zinc/46/62/91/510466291.db2.gz PPIUAJHBZRSQQW-HOCLYGCPSA-N 1 0 360.458 2.701 20 5 FFBDRO O=[N+]([O-])c1cc(Br)ccc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000266221145 510467431 /nfs/dbraw/zinc/46/74/31/510467431.db2.gz HRFQMCRGJMLVGL-GFCCVEGCSA-N 1 0 370.247 2.516 20 5 FFBDRO CCOC(=O)C1CCC(O)(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000191029213 510473095 /nfs/dbraw/zinc/47/30/95/510473095.db2.gz HNFDVUDEDNZXEE-VNSJNIRKSA-N 1 0 350.415 2.730 20 5 FFBDRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000266241816 510479137 /nfs/dbraw/zinc/47/91/37/510479137.db2.gz HGYNXSJUIYXFFZ-STQMWFEESA-N 1 0 357.332 2.970 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@H](CO)c1ccccc1 ZINC000269603271 510480031 /nfs/dbraw/zinc/48/00/31/510480031.db2.gz PZHPPRQTHFRHCJ-QGZVFWFLSA-N 1 0 373.409 2.597 20 5 FFBDRO C[N@H+](CCNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)C1CCCC1 ZINC000181596158 510492539 /nfs/dbraw/zinc/49/25/39/510492539.db2.gz ZYXSNVOLSPIUQT-UHFFFAOYSA-N 1 0 357.357 2.800 20 5 FFBDRO CC1CCN(c2ccc(C(=O)NC[C@@H]3CCC[N@@H+]3C)cc2[N+](=O)[O-])CC1 ZINC000194730654 510499920 /nfs/dbraw/zinc/49/99/20/510499920.db2.gz ZEQGYVRVXQTSMD-INIZCTEOSA-N 1 0 360.458 2.655 20 5 FFBDRO COc1cc(C(=O)NCc2ccc(C[NH+](C)C)cc2)cc([N+](=O)[O-])c1C ZINC000191148011 510523699 /nfs/dbraw/zinc/52/36/99/510523699.db2.gz JUUQJJNMEYUHJJ-UHFFFAOYSA-N 1 0 357.410 2.903 20 5 FFBDRO COc1cc(C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)ccc1[N+](=O)[O-] ZINC000181673218 510533080 /nfs/dbraw/zinc/53/30/80/510533080.db2.gz AAGRVIRNFKFMGS-ZFWWWQNUSA-N 1 0 361.442 2.986 20 5 FFBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@H](CO)C[C@@H](O)c2ccccc2)c1 ZINC000269960798 510620448 /nfs/dbraw/zinc/62/04/48/510620448.db2.gz UZJANGFSGKGIRQ-WMLDXEAASA-N 1 0 350.802 2.822 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N3CC[NH2+]C(C)(C)C3)cc2[N+](=O)[O-])CC1 ZINC000175418063 510638662 /nfs/dbraw/zinc/63/86/62/510638662.db2.gz ULBYZHWAEXDHCZ-UHFFFAOYSA-N 1 0 360.458 2.655 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000191401916 510642914 /nfs/dbraw/zinc/64/29/14/510642914.db2.gz FXXCQSXBELKSSU-AWEZNQCLSA-N 1 0 364.446 2.521 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000181908832 510653330 /nfs/dbraw/zinc/65/33/30/510653330.db2.gz CBWLAQRPRGMQBV-ROUUACIJSA-N 1 0 356.422 2.899 20 5 FFBDRO CC(C)[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccc2c(c1)OCCO2 ZINC000181975313 510686362 /nfs/dbraw/zinc/68/63/62/510686362.db2.gz FZCKHDZMQAEJCB-IBGZPJMESA-N 1 0 373.409 2.515 20 5 FFBDRO CCOC(=O)c1ccnc(N(C)CC[N@H+](C)C2CCCCC2)c1[N+](=O)[O-] ZINC000172365822 510693183 /nfs/dbraw/zinc/69/31/83/510693183.db2.gz KJWXCLHPDKHMNF-UHFFFAOYSA-N 1 0 364.446 2.867 20 5 FFBDRO CC[C@@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000178674678 510714697 /nfs/dbraw/zinc/71/46/97/510714697.db2.gz YYBOYNXYYDRCFZ-SJORKVTESA-N 1 0 357.414 2.565 20 5 FFBDRO Cc1ccc(C[C@@H](CO)[NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000191587672 510739524 /nfs/dbraw/zinc/73/95/24/510739524.db2.gz JAIAXLDSJMFWRX-QAPCUYQASA-N 1 0 371.437 2.814 20 5 FFBDRO Cc1cccc(C[C@@H](CO)[NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000191605998 510747174 /nfs/dbraw/zinc/74/71/74/510747174.db2.gz QNRBRGWHSUXGNO-YJBOKZPZSA-N 1 0 371.437 2.814 20 5 FFBDRO CCn1nccc1N1CCC[C@@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C1=O ZINC000191640893 510766852 /nfs/dbraw/zinc/76/68/52/510766852.db2.gz BVJDGHQORYLKNZ-CDVVCGDMSA-N 1 0 369.425 2.610 20 5 FFBDRO CCn1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000191649687 510772088 /nfs/dbraw/zinc/77/20/88/510772088.db2.gz LFEXALHLCURRTL-MRXNPFEDSA-N 1 0 371.441 2.548 20 5 FFBDRO CC(C)CCOC1CC[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000182213587 510817278 /nfs/dbraw/zinc/81/72/78/510817278.db2.gz JIOPIYOCDUNIEM-MRXNPFEDSA-N 1 0 366.458 2.862 20 5 FFBDRO CCn1cc([N+](=O)[O-])c(C(=O)NCc2ccccc2C[NH+](CC)CC)n1 ZINC000191760161 510817642 /nfs/dbraw/zinc/81/76/42/510817642.db2.gz KYFRPYRXNWYTFX-UHFFFAOYSA-N 1 0 359.430 2.583 20 5 FFBDRO COc1cc(C(=O)NCC[C@H](C)[NH+]2CCCCC2)c([N+](=O)[O-])cc1OC ZINC000182221640 510819938 /nfs/dbraw/zinc/81/99/38/510819938.db2.gz BWDWZLJBPRMZKS-ZDUSSCGKSA-N 1 0 365.430 2.606 20 5 FFBDRO O=[N+]([O-])c1cccc(CNCCS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000195422663 510820579 /nfs/dbraw/zinc/82/05/79/510820579.db2.gz PNMTZUPDOSWDTL-UHFFFAOYSA-N 1 0 354.815 2.812 20 5 FFBDRO Cc1nccn1CCC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000263780379 510837580 /nfs/dbraw/zinc/83/75/80/510837580.db2.gz FLTJZZGIGAEDMC-UHFFFAOYSA-N 1 0 354.414 2.680 20 5 FFBDRO C[NH+]1CCC([C@@H]2CCN(C(=O)c3cc(F)c(F)cc3[N+](=O)[O-])C2)CC1 ZINC000270460202 510876375 /nfs/dbraw/zinc/87/63/75/510876375.db2.gz QLBVJDBRGNFXIT-GFCCVEGCSA-N 1 0 353.369 2.677 20 5 FFBDRO COc1ccc(OC)c([C@@H](O)C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000293887184 510888057 /nfs/dbraw/zinc/88/80/57/510888057.db2.gz VSAONHODHCBJJQ-GTNSWQLSSA-N 1 0 361.398 2.578 20 5 FFBDRO COc1ccc([C@@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3)C[C@@H]2[NH3+])cc1F ZINC000297335596 510907829 /nfs/dbraw/zinc/90/78/29/510907829.db2.gz XYVCLRYHGHAMRG-RDJZCZTQSA-N 1 0 373.384 2.700 20 5 FFBDRO C[NH+](C)CCn1nccc1NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000294163503 510976276 /nfs/dbraw/zinc/97/62/76/510976276.db2.gz SCWFDWZJPKTUSZ-UHFFFAOYSA-N 1 0 359.411 2.820 20 5 FFBDRO Cc1cccn2c(=O)cc(C[N@H+](C)CCc3cccc([N+](=O)[O-])c3)nc12 ZINC000282461907 510988691 /nfs/dbraw/zinc/98/86/91/510988691.db2.gz MYKILUGQDMFSLO-UHFFFAOYSA-N 1 0 352.394 2.586 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000270878570 511012859 /nfs/dbraw/zinc/01/28/59/511012859.db2.gz VHMUHJLMIDFJNR-CQSZACIVSA-N 1 0 354.410 2.843 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)c1 ZINC000282535295 511017192 /nfs/dbraw/zinc/01/71/92/511017192.db2.gz VJWQYJLUPSMZAE-SFNKJDCFSA-N 1 0 356.426 2.563 20 5 FFBDRO C[N@@H+]1CCC[C@H]2CN(c3c(Br)cncc3[N+](=O)[O-])CC[C@H]21 ZINC000270936389 511030012 /nfs/dbraw/zinc/03/00/12/511030012.db2.gz IVNNYMPJXLZVTE-CMPLNLGQSA-N 1 0 355.236 2.673 20 5 FFBDRO C[NH+](C)CCn1nccc1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000297758930 511060109 /nfs/dbraw/zinc/06/01/09/511060109.db2.gz LTWWYHKQZUFFNS-UHFFFAOYSA-N 1 0 371.319 2.624 20 5 FFBDRO COc1cc(C(=O)NC[C@@H](C)C[NH+]2CCCCC2)c([N+](=O)[O-])cc1F ZINC000294627152 511124985 /nfs/dbraw/zinc/12/49/85/511124985.db2.gz YKMQJNUGZTXLGD-GFCCVEGCSA-N 1 0 353.394 2.594 20 5 FFBDRO C[C@@H]1CN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000362077898 511128430 /nfs/dbraw/zinc/12/84/30/511128430.db2.gz KMUVLQZHZQQRQZ-RHSMWYFYSA-N 1 0 366.893 2.706 20 5 FFBDRO CC(C)OCC[NH+]1CCC(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000294788429 511178208 /nfs/dbraw/zinc/17/82/08/511178208.db2.gz AQQSJWDHJHLTCA-UHFFFAOYSA-N 1 0 369.849 2.867 20 5 FFBDRO O=C(C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000295094787 511280650 /nfs/dbraw/zinc/28/06/50/511280650.db2.gz AJACJTKWMZWURP-XZJROXQQSA-N 1 0 365.817 2.734 20 5 FFBDRO C[N@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H]1CCN2CCO[C@H]1C2 ZINC000295101741 511282694 /nfs/dbraw/zinc/28/26/94/511282694.db2.gz KLNMESFNNVAIFN-MJGOQNOKSA-N 1 0 357.410 2.760 20 5 FFBDRO COc1cccc([C@@H](C)[NH2+]CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)c1 ZINC000271731764 511304805 /nfs/dbraw/zinc/30/48/05/511304805.db2.gz YQJPLECZGWWLHG-CYBMUJFWSA-N 1 0 355.394 2.843 20 5 FFBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000295237871 511332327 /nfs/dbraw/zinc/33/23/27/511332327.db2.gz ZXCGTEABBPGYAX-TVQRCGJNSA-N 1 0 357.332 2.826 20 5 FFBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NCC2=CC[N@H+](C)CC2)CC1 ZINC000271920168 511371212 /nfs/dbraw/zinc/37/12/12/511371212.db2.gz KGKAQEBCMJLZDO-UHFFFAOYSA-N 1 0 372.469 2.823 20 5 FFBDRO C[C@@H]1OCC[C@]12C[N@H+](CCc1ncc(-c3cccc([N+](=O)[O-])c3)o1)CCO2 ZINC000280334822 511425511 /nfs/dbraw/zinc/42/55/11/511425511.db2.gz HMOSARWONYKYLZ-LIRRHRJNSA-N 1 0 373.409 2.672 20 5 FFBDRO O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)NCCCCC[NH+]1CCCC1 ZINC000295555407 511444357 /nfs/dbraw/zinc/44/43/57/511444357.db2.gz JKCJMUBDPMXUQR-UHFFFAOYSA-N 1 0 361.442 2.940 20 5 FFBDRO O=[N+]([O-])c1ccc2c(ccnc2N2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC000295568369 511447373 /nfs/dbraw/zinc/44/73/73/511447373.db2.gz QXIRBXMYZHGFGY-UHFFFAOYSA-N 1 0 356.426 2.692 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+](C)C[C@H](O)COCCOC(C)C ZINC000272283975 511489983 /nfs/dbraw/zinc/48/99/83/511489983.db2.gz FUQFVNRXNGFUSA-WBVHZDCISA-N 1 0 354.447 2.699 20 5 FFBDRO CCOc1cc(C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)ccc1[N+](=O)[O-] ZINC000295761773 511507683 /nfs/dbraw/zinc/50/76/83/511507683.db2.gz XYBBLMVAGXRWKY-JKSUJKDBSA-N 1 0 369.421 2.775 20 5 FFBDRO Cc1ccc(C(=O)N2CCC[C@@H]2CN2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000299195014 511547379 /nfs/dbraw/zinc/54/73/79/511547379.db2.gz MLHMHMCTCVKFCJ-HLLBOEOZSA-N 1 0 361.442 2.617 20 5 FFBDRO C[NH+]1CCC(Oc2ccc(CNC(=O)CCC(C)(C)[N+](=O)[O-])cc2)CC1 ZINC000296012224 511588691 /nfs/dbraw/zinc/58/86/91/511588691.db2.gz MQKVKNJGQIBQRC-UHFFFAOYSA-N 1 0 363.458 2.611 20 5 FFBDRO C[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1OCCc2sccc21 ZINC000292568253 511645758 /nfs/dbraw/zinc/64/57/58/511645758.db2.gz ZSQPIOGKUNJHQV-APPDUMDISA-N 1 0 361.423 2.887 20 5 FFBDRO Cc1nc(NCc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)ncc1[N+](=O)[O-] ZINC000296189238 511648807 /nfs/dbraw/zinc/64/88/07/511648807.db2.gz BJQUPGQQHZCPCF-ZIAGYGMSSA-N 1 0 371.441 2.915 20 5 FFBDRO COc1cc(C[N@@H+]2CCC[C@@H](c3nccn3C)C2)c([N+](=O)[O-])cc1OC ZINC000365818824 511667432 /nfs/dbraw/zinc/66/74/32/511667432.db2.gz HGVLLZSYIQRJHD-CYBMUJFWSA-N 1 0 360.414 2.725 20 5 FFBDRO COc1ccc(OCC[N@@H+]2CCC3(CCOCC3)[C@H]2C)c([N+](=O)[O-])c1 ZINC000363792671 511770493 /nfs/dbraw/zinc/77/04/93/511770493.db2.gz GBQFNQCPIRNLIB-CQSZACIVSA-N 1 0 350.415 2.873 20 5 FFBDRO CC(C)c1n[nH]c(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000274326641 511795128 /nfs/dbraw/zinc/79/51/28/511795128.db2.gz YUTFYRKOGVUFPL-UKRRQHHQSA-N 1 0 371.441 2.692 20 5 FFBDRO C[C@H](NCC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC000274667533 511905341 /nfs/dbraw/zinc/90/53/41/511905341.db2.gz RPADCHPPUMGIPO-HNAYVOBHSA-N 1 0 370.453 2.665 20 5 FFBDRO COc1cccc(COC[C@@H](O)C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000296840388 511918919 /nfs/dbraw/zinc/91/89/19/511918919.db2.gz XDOYRVVJPOKTJH-KSSFIOAISA-N 1 0 360.410 2.832 20 5 FFBDRO CC(C)CCSc1ccc(C(=O)N2CCO[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000274754500 511931970 /nfs/dbraw/zinc/93/19/70/511931970.db2.gz HFOCLKVNTZXTGX-CQSZACIVSA-N 1 0 367.471 2.533 20 5 FFBDRO C[C@@H]1CC[C@@H](C)[NH+]1Cc1nc(-c2ccc(-n3cncn3)c([N+](=O)[O-])c2)no1 ZINC000351201783 511980849 /nfs/dbraw/zinc/98/08/49/511980849.db2.gz OXUNPWBNHFBCHL-VXGBXAGGSA-N 1 0 369.385 2.598 20 5 FFBDRO COc1cc(C[NH2+][C@H]2CCC[C@@H]2CCO)c([N+](=O)[O-])cc1OC(F)F ZINC000275056924 512028475 /nfs/dbraw/zinc/02/84/75/512028475.db2.gz NPACDYJRTGJYSE-PWSUYJOCSA-N 1 0 360.357 2.846 20 5 FFBDRO O=C(CN1CCC=C(c2ccco2)C1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000285188518 512030419 /nfs/dbraw/zinc/03/04/19/512030419.db2.gz CFLWAFUXBZFFPI-UHFFFAOYSA-N 1 0 371.349 2.644 20 5 FFBDRO O=C(NC1CC[NH+](C2CCC2)CC1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000297166864 512045425 /nfs/dbraw/zinc/04/54/25/512045425.db2.gz MZJWMCQRZCNEST-UHFFFAOYSA-N 1 0 358.442 2.916 20 5 FFBDRO [NH3+][C@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC[C@@H]1c1ccc(F)cc1 ZINC000297223476 512066971 /nfs/dbraw/zinc/06/69/71/512066971.db2.gz OFGNETCAQFEEQA-MSOLQXFVSA-N 1 0 357.385 2.620 20 5 FFBDRO CCc1n[nH]c(C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000371557829 512464478 /nfs/dbraw/zinc/46/44/78/512464478.db2.gz IABAZUIKIXMAPT-OAHLLOKOSA-N 1 0 371.441 2.522 20 5 FFBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC(c2ncccc2Cl)CC1 ZINC000373786278 512504457 /nfs/dbraw/zinc/50/44/57/512504457.db2.gz HBWNNFXFOXVQLJ-UHFFFAOYSA-N 1 0 362.817 2.685 20 5 FFBDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000375787621 512506719 /nfs/dbraw/zinc/50/67/19/512506719.db2.gz HHHZSISWFJBKNM-SAYFZHNOSA-N 1 0 356.382 2.500 20 5 FFBDRO CO[C@@H]1[C@H]2C[C@H]3C[N@H+](Cc4nc(-c5cccc([N+](=O)[O-])c5)no4)[C@H]1[C@H]3C2 ZINC000375787622 512506731 /nfs/dbraw/zinc/50/67/31/512506731.db2.gz HHHZSISWFJBKNM-UOYADTOYSA-N 1 0 356.382 2.500 20 5 FFBDRO CN(Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000371702596 512535421 /nfs/dbraw/zinc/53/54/21/512535421.db2.gz FQGACNRXFBCRIS-QGZVFWFLSA-N 1 0 366.893 2.849 20 5 FFBDRO Cn1cc(CN2CCC[N@@H+]3CCC[C@@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000378349299 512710058 /nfs/dbraw/zinc/71/00/58/512710058.db2.gz JHJSEEJXNHGQKO-GOSISDBHSA-N 1 0 355.442 2.665 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCSC[C@H]1C1CC1 ZINC000411782859 512809325 /nfs/dbraw/zinc/80/93/25/512809325.db2.gz FHBALWBYHGXTDX-HNNXBMFYSA-N 1 0 365.455 2.759 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCSC2(CCC2)CC1 ZINC000411872304 512852417 /nfs/dbraw/zinc/85/24/17/512852417.db2.gz UYXFNMGVOPGWQL-CQSZACIVSA-N 1 0 352.456 2.696 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCSC2(CCC2)CC1 ZINC000411872303 512852919 /nfs/dbraw/zinc/85/29/19/512852919.db2.gz UYXFNMGVOPGWQL-AWEZNQCLSA-N 1 0 352.456 2.696 20 5 FFBDRO CNc1ccc(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000380467296 512873213 /nfs/dbraw/zinc/87/32/13/512873213.db2.gz QGUCLXUUMAPSQZ-KRWDZBQOSA-N 1 0 368.437 2.983 20 5 FFBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000412007406 512910330 /nfs/dbraw/zinc/91/03/30/512910330.db2.gz DLORYHYYJXJGLY-LJQANCHMSA-N 1 0 369.421 2.610 20 5 FFBDRO Cn1cc([C@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)c2ccccc2)cn1 ZINC000374623306 512922325 /nfs/dbraw/zinc/92/23/25/512922325.db2.gz NEVCNEUFXSAFGZ-RTBURBONSA-N 1 0 352.394 2.741 20 5 FFBDRO C[C@@H]1C[C@H](Nc2ccc(C(N)=O)cc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000397976613 512952131 /nfs/dbraw/zinc/95/21/31/512952131.db2.gz KWJZIHPNMNUTDR-CJNGLKHVSA-N 1 0 354.410 2.769 20 5 FFBDRO C[C@H]1C[C@H](Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[N@@H+]1Cc1ccccc1 ZINC000397984492 512952348 /nfs/dbraw/zinc/95/23/48/512952348.db2.gz NSYJWHNOGIFWFJ-ZFWWWQNUSA-N 1 0 351.410 2.968 20 5 FFBDRO CC(C)(C)O[C@@H]1C[C@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1(C)C ZINC000412088818 512953946 /nfs/dbraw/zinc/95/39/46/512953946.db2.gz XWTMVAQNZFEUDP-RRQGHBQHSA-N 1 0 366.458 2.906 20 5 FFBDRO C[C@H]1CCCN(c2ccc(C(=O)N3CCC[N@H+](C)CC3)cc2[N+](=O)[O-])C1 ZINC000407997434 512981872 /nfs/dbraw/zinc/98/18/72/512981872.db2.gz VXSLGMSXHCWDEI-HNNXBMFYSA-N 1 0 360.458 2.609 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCC(n3cncc3C)CC2)c1 ZINC000374810114 513014669 /nfs/dbraw/zinc/01/46/69/513014669.db2.gz JXCVKPVZAADNNC-UHFFFAOYSA-N 1 0 358.398 2.976 20 5 FFBDRO COc1ccc(C[NH2+]C[C@]2(CO)C[C@@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000428553547 513129215 /nfs/dbraw/zinc/12/92/15/513129215.db2.gz XIYOPPCELOHGGD-APWZRJJASA-N 1 0 360.385 2.998 20 5 FFBDRO Cn1cc([C@@H]2CN(c3c(Cl)cc(Cl)cc3[N+](=O)[O-])C[C@H]2[NH3+])cn1 ZINC000424411292 513132229 /nfs/dbraw/zinc/13/22/29/513132229.db2.gz KDKCLWIQEXKLSN-CMPLNLGQSA-N 1 0 356.213 2.566 20 5 FFBDRO COc1cc[nH+]c(N2CCN(c3nccc4c3cccc4[N+](=O)[O-])CC2)c1 ZINC000450312130 513136971 /nfs/dbraw/zinc/13/69/71/513136971.db2.gz GLSFLWHDZUUGNI-UHFFFAOYSA-N 1 0 365.393 2.873 20 5 FFBDRO CC(C)[C@H](CC(F)(F)F)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000445882236 513137350 /nfs/dbraw/zinc/13/73/50/513137350.db2.gz YXYDGPIWIZIASG-NEPJUHHUSA-N 1 0 350.337 2.901 20 5 FFBDRO CC(C)c1n[nH]c(C(=O)NCCCC[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000433832655 513162141 /nfs/dbraw/zinc/16/21/41/513162141.db2.gz UTLKFPOXXAQHFA-UHFFFAOYSA-N 1 0 351.451 2.683 20 5 FFBDRO CCc1ccccc1[C@H]([NH3+])CNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000417758536 513198223 /nfs/dbraw/zinc/19/82/23/513198223.db2.gz CIHBKMJBMVPUBY-QGZVFWFLSA-N 1 0 356.426 2.699 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000439887531 513203287 /nfs/dbraw/zinc/20/32/87/513203287.db2.gz HQOCFSZLDJEHFA-ZDUSSCGKSA-N 1 0 350.419 2.989 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@H](SC)[C@@H]([NH+](C)C)C1 ZINC000439885110 513203803 /nfs/dbraw/zinc/20/38/03/513203803.db2.gz BSPZMHPIFIVHFT-ZFWWWQNUSA-N 1 0 368.459 2.503 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000439887530 513203831 /nfs/dbraw/zinc/20/38/31/513203831.db2.gz HQOCFSZLDJEHFA-CYBMUJFWSA-N 1 0 350.419 2.989 20 5 FFBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C[C@H]1C ZINC000450500782 513223079 /nfs/dbraw/zinc/22/30/79/513223079.db2.gz OEASKYBKAHKMOK-CHWSQXEVSA-N 1 0 357.414 2.540 20 5 FFBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[N@@H+]([C@H]2C[C@H]2C)C[C@H](C)C1 ZINC000429001789 513248004 /nfs/dbraw/zinc/24/80/04/513248004.db2.gz WZHFBRAJVKXBPV-ADAWSYLGSA-N 1 0 360.458 2.584 20 5 FFBDRO O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000415453177 513267850 /nfs/dbraw/zinc/26/78/50/513267850.db2.gz YYBRQYQVUDHLTD-UWVGGRQHSA-N 1 0 358.320 2.687 20 5 FFBDRO CC(C)[C@H]([NH3+])CNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000429147383 513290843 /nfs/dbraw/zinc/29/08/43/513290843.db2.gz ACVHDFIJVSEGMT-MRXNPFEDSA-N 1 0 356.426 2.920 20 5 FFBDRO [NH3+]C[C@H](NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])C1CCCC1 ZINC000417985236 513317828 /nfs/dbraw/zinc/31/78/28/513317828.db2.gz GWDLBRWWRNSONU-AWEZNQCLSA-N 1 0 354.838 2.607 20 5 FFBDRO CC(C)([NH2+]CCn1cnc2ccccc2c1=O)c1ccccc1[N+](=O)[O-] ZINC000429267301 513320809 /nfs/dbraw/zinc/32/08/09/513320809.db2.gz XCEIYRYTNBZXFB-UHFFFAOYSA-N 1 0 352.394 2.830 20 5 FFBDRO C[C@H]1CCN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000418002628 513328432 /nfs/dbraw/zinc/32/84/32/513328432.db2.gz YYXZFUOOPXMMTC-SMDDNHRTSA-N 1 0 354.838 2.560 20 5 FFBDRO O=C(C[NH2+][C@H]1Cc2cccc(O)c2C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000429321958 513339427 /nfs/dbraw/zinc/33/94/27/513339427.db2.gz GRMWLZQIIMGINM-LBPRGKRZSA-N 1 0 361.785 2.649 20 5 FFBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)C[C@H](C)[N@H+]1CCO ZINC000450789340 513342795 /nfs/dbraw/zinc/34/27/95/513342795.db2.gz FMPXCPPLXDLICI-OKILXGFUSA-N 1 0 351.447 2.663 20 5 FFBDRO Cc1c(NC(=O)N[C@@H]2CC[C@H](C[NH3+])C2)cc(Br)cc1[N+](=O)[O-] ZINC000415660297 513366325 /nfs/dbraw/zinc/36/63/25/513366325.db2.gz POALEXOYURYYBS-GXSJLCMTSA-N 1 0 371.235 2.915 20 5 FFBDRO Cc1c(NC(=O)N2CC[C@H]([C@H](C)[NH3+])C2)cc(Br)cc1[N+](=O)[O-] ZINC000415661287 513367211 /nfs/dbraw/zinc/36/72/11/513367211.db2.gz QBZWNASTTPEFQO-UWVGGRQHSA-N 1 0 371.235 2.867 20 5 FFBDRO Cc1c(NC(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)cc(Br)cc1[N+](=O)[O-] ZINC000415661286 513367634 /nfs/dbraw/zinc/36/76/34/513367634.db2.gz QBZWNASTTPEFQO-NXEZZACHSA-N 1 0 371.235 2.867 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000415665375 513368900 /nfs/dbraw/zinc/36/89/00/513368900.db2.gz VDPXNAVQKFVHMP-ZIAGYGMSSA-N 1 0 362.430 2.847 20 5 FFBDRO CC1(C)CCc2ccccc2[C@@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000440648882 513369977 /nfs/dbraw/zinc/36/99/77/513369977.db2.gz QNNLASJZJRWFHD-WMZOPIPTSA-N 1 0 358.442 2.846 20 5 FFBDRO C[N@@H+]1CCN(CCNc2ccc([N+](=O)[O-])cc2Br)CC1(C)C ZINC000440650979 513371407 /nfs/dbraw/zinc/37/14/07/513371407.db2.gz OKNVVKPNHPJIAW-UHFFFAOYSA-N 1 0 371.279 2.795 20 5 FFBDRO [NH3+]C[C@H]1CC[C@@H](NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000415701725 513388605 /nfs/dbraw/zinc/38/86/05/513388605.db2.gz OLLAEMYJMLCPIO-WCBMZHEXSA-N 1 0 357.208 2.606 20 5 FFBDRO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000415704570 513390023 /nfs/dbraw/zinc/39/00/23/513390023.db2.gz SFYDXVPGNFPRBL-MNOVXSKESA-N 1 0 369.219 2.716 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N3CC[NH2+][C@H](C)[C@H]3C)cc2[N+](=O)[O-])C1 ZINC000434715301 513406150 /nfs/dbraw/zinc/40/61/50/513406150.db2.gz XNNKBBVUBUFETK-RBSFLKMASA-N 1 0 360.458 2.654 20 5 FFBDRO CC(C)(CO)[C@@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000429725976 513453166 /nfs/dbraw/zinc/45/31/66/513453166.db2.gz ZQUOKHNSQMIZIS-APWZRJJASA-N 1 0 374.437 2.684 20 5 FFBDRO CC(C)[NH+]1CCC(N2CCN(Cc3c(F)cccc3[N+](=O)[O-])CC2)CC1 ZINC000441060063 513471285 /nfs/dbraw/zinc/47/12/85/513471285.db2.gz JOHXNOGFYKNJMX-UHFFFAOYSA-N 1 0 364.465 2.724 20 5 FFBDRO C[C@@H]1C[NH+](CCCCNc2nccc3ccc([N+](=O)[O-])cc32)C[C@@H](C)O1 ZINC000413179978 513502100 /nfs/dbraw/zinc/50/21/00/513502100.db2.gz DCFCCUFNSSXUCN-HUUCEWRRSA-N 1 0 358.442 2.866 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCC[C@H]([C@H]4CCOC4)C3)n2)cc1 ZINC000441198863 513510547 /nfs/dbraw/zinc/51/05/47/513510547.db2.gz CKNMIHOWRKERCW-GJZGRUSLSA-N 1 0 358.398 2.893 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCc2c[nH]c3ncccc23)n1 ZINC000447586710 513516218 /nfs/dbraw/zinc/51/62/18/513516218.db2.gz NLZFLOWKUNJJID-JKSUJKDBSA-N 1 0 354.414 2.984 20 5 FFBDRO CCC(CC)(C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)C(=O)OC ZINC000447592581 513517267 /nfs/dbraw/zinc/51/72/67/513517267.db2.gz MNKZHMLDEZEIJS-ZIAGYGMSSA-N 1 0 352.435 2.844 20 5 FFBDRO C[C@@H](c1cccc(C(F)(F)F)c1)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000441276561 513525903 /nfs/dbraw/zinc/52/59/03/513525903.db2.gz KLSHLTGQLWKRBZ-NHYWBVRUSA-N 1 0 372.347 2.864 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000441278287 513528577 /nfs/dbraw/zinc/52/85/77/513528577.db2.gz PHUJRZARBXGRFP-JKSUJKDBSA-N 1 0 361.442 2.980 20 5 FFBDRO CCN(CCC[NH+]1CCCC1)C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000451112344 513532407 /nfs/dbraw/zinc/53/24/07/513532407.db2.gz IWWWLVHQJBACAD-UHFFFAOYSA-N 1 0 361.442 2.892 20 5 FFBDRO COc1cc(CN2CC[C@H]([NH3+])C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000435372201 513568029 /nfs/dbraw/zinc/56/80/29/513568029.db2.gz QJJLWUYFIHITKU-INIZCTEOSA-N 1 0 357.410 2.715 20 5 FFBDRO C[C@H](CNc1cc(CN2CCOCC2)ccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000447814607 513579867 /nfs/dbraw/zinc/57/98/67/513579867.db2.gz ZRRVFDXDJGRCOC-MRXNPFEDSA-N 1 0 362.474 2.571 20 5 FFBDRO O=C(NC[C@@H]1[NH2+]CCc2ccccc21)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000418640254 513586707 /nfs/dbraw/zinc/58/67/07/513586707.db2.gz QREKZARPCRTUQS-IBGZPJMESA-N 1 0 366.421 2.550 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1CN1C[C@H](SC)[C@@H]([NH+]2CCCC2)C1 ZINC000430220283 513591427 /nfs/dbraw/zinc/59/14/27/513591427.db2.gz PITGEFIDTOBGFB-RDJZCZTQSA-N 1 0 351.472 2.615 20 5 FFBDRO CC[NH+](CC)CCO[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430234639 513595733 /nfs/dbraw/zinc/59/57/33/513595733.db2.gz BEZOLUUUGOOFKD-KRWDZBQOSA-N 1 0 351.447 2.536 20 5 FFBDRO COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000451230676 513609598 /nfs/dbraw/zinc/60/95/98/513609598.db2.gz ORUQKOMGNILBTF-KGLIPLIRSA-N 1 0 363.414 2.635 20 5 FFBDRO Cc1ncsc1CN(C[C@H]1CC[NH2+]C1)C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000435597565 513629653 /nfs/dbraw/zinc/62/96/53/513629653.db2.gz JWCHMYMBNJTFAM-AWEZNQCLSA-N 1 0 374.466 2.920 20 5 FFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](O)C[C@@H]1[C@@H]1CCCOC1 ZINC000451295498 513659200 /nfs/dbraw/zinc/65/92/00/513659200.db2.gz DNSUSYFKQVRWJG-ZTFGCOKTSA-N 1 0 364.442 2.744 20 5 FFBDRO Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2F)n(C2CC[NH+](C)CC2)n1 ZINC000430480419 513663813 /nfs/dbraw/zinc/66/38/13/513663813.db2.gz CJKUMVMHHLLHSF-UHFFFAOYSA-N 1 0 361.377 2.758 20 5 FFBDRO Cc1cc(NC(=O)c2cc(C)cc([N+](=O)[O-])c2)n(C2CC[NH+](C)CC2)n1 ZINC000430483277 513665606 /nfs/dbraw/zinc/66/56/06/513665606.db2.gz KPOVEDBVGPAPCS-UHFFFAOYSA-N 1 0 357.414 2.927 20 5 FFBDRO CN(C(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000451347705 513693535 /nfs/dbraw/zinc/69/35/35/513693535.db2.gz UPPXXMMJHIFWJK-KSZLIROESA-N 1 0 361.442 2.573 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2noc(CN3CCC([NH2+]CC4CC4)CC3)n2)cc1 ZINC000430583921 513696578 /nfs/dbraw/zinc/69/65/78/513696578.db2.gz YIUFLIJAVFMRIY-UHFFFAOYSA-N 1 0 357.414 2.609 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H](c2ccc(F)c(Cl)c2)C2CC2)c1 ZINC000451354559 513698263 /nfs/dbraw/zinc/69/82/63/513698263.db2.gz NMBQOSZZYUSVNT-XJKSGUPXSA-N 1 0 368.796 2.686 20 5 FFBDRO C[C@@]12C[N@H+](CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000451368996 513705476 /nfs/dbraw/zinc/70/54/76/513705476.db2.gz MWBIIQUWVYFOMS-WNJKXWAASA-N 1 0 353.422 2.628 20 5 FFBDRO [NH3+]CC[C@H]1CCCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000442627661 513748133 /nfs/dbraw/zinc/74/81/33/513748133.db2.gz WNTUSXFGODCGPY-MRXNPFEDSA-N 1 0 363.461 2.742 20 5 FFBDRO O=C(C[N@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000451432887 513748730 /nfs/dbraw/zinc/74/87/30/513748730.db2.gz ZZFWPUNNXRUBIU-XPKDYRNWSA-N 1 0 367.833 2.812 20 5 FFBDRO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000430814602 513755604 /nfs/dbraw/zinc/75/56/04/513755604.db2.gz JGDPQAGSFBGLKZ-HOTGVXAUSA-N 1 0 363.458 2.990 20 5 FFBDRO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@H+](CCOCC4CCC4)CC3)nc2c1 ZINC000419255194 513757852 /nfs/dbraw/zinc/75/78/52/513757852.db2.gz YDQUBIRMNZZESY-UHFFFAOYSA-N 1 0 373.457 2.800 20 5 FFBDRO CC1(C)[C@H]([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@H]2CCCO[C@@H]21 ZINC000451479056 513776755 /nfs/dbraw/zinc/77/67/55/513776755.db2.gz LQWZMMAJFMIPTA-LYRGGWFBSA-N 1 0 367.833 2.980 20 5 FFBDRO CN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C(C)(C)C[NH+]1CCCC1 ZINC000419375849 513791647 /nfs/dbraw/zinc/79/16/47/513791647.db2.gz NYTRDIQXFMHLLD-UHFFFAOYSA-N 1 0 359.430 2.951 20 5 FFBDRO O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)NCCC[NH+]1CCCCCC1 ZINC000448604474 513804943 /nfs/dbraw/zinc/80/49/43/513804943.db2.gz IFFBBGVUKAXMKK-UHFFFAOYSA-N 1 0 361.442 2.940 20 5 FFBDRO CC(C)CCO[C@@H]1CCCC[C@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000436276298 513816028 /nfs/dbraw/zinc/81/60/28/513816028.db2.gz SFKQKBJWZUWMJA-IAGOWNOFSA-N 1 0 351.447 2.720 20 5 FFBDRO CC(C)C[NH+]1CCC(NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)CC1 ZINC000448812738 513910677 /nfs/dbraw/zinc/91/06/77/513910677.db2.gz OTCYKHWZUOJTIU-UHFFFAOYSA-N 1 0 371.441 2.835 20 5 FFBDRO C[NH+](C)C[C@H]1CCc2ccccc2N1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000436718863 513955518 /nfs/dbraw/zinc/95/55/18/513955518.db2.gz BNYZVDWMJKBOSC-MRXNPFEDSA-N 1 0 369.421 2.883 20 5 FFBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448984991 514007916 /nfs/dbraw/zinc/00/79/16/514007916.db2.gz VKHNQVXHFSAYDY-MRXNPFEDSA-N 1 0 371.441 2.775 20 5 FFBDRO CN(CC[NH+](C)C)C(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000426685051 514014941 /nfs/dbraw/zinc/01/49/41/514014941.db2.gz FOVBRAWMKYMFKK-UHFFFAOYSA-N 1 0 357.410 2.807 20 5 FFBDRO O=C(c1ccccc1)c1ccc(N2CC[C@H]3C[NH2+]C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000420259927 514062576 /nfs/dbraw/zinc/06/25/76/514062576.db2.gz NCSPFDNWPJTBGY-IRXDYDNUSA-N 1 0 351.406 2.872 20 5 FFBDRO O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000420271087 514067109 /nfs/dbraw/zinc/06/71/09/514067109.db2.gz ZISHKZBWIZJZNP-RKDXNWHRSA-N 1 0 366.290 2.690 20 5 FFBDRO NC(=O)c1ccc(C[NH2+]C2(Cc3ccccc3)CCOCC2)c([N+](=O)[O-])c1 ZINC000451943550 514085199 /nfs/dbraw/zinc/08/51/99/514085199.db2.gz WMVCLZDXNZFKNL-UHFFFAOYSA-N 1 0 369.421 2.575 20 5 FFBDRO COC(=O)COc1cccc(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000449147678 514092044 /nfs/dbraw/zinc/09/20/44/514092044.db2.gz HUIPUDPHGXEYIU-AWEZNQCLSA-N 1 0 358.394 2.867 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000427018799 514092534 /nfs/dbraw/zinc/09/25/34/514092534.db2.gz CWSZJGHFBXHKNP-WMZOPIPTSA-N 1 0 355.394 2.779 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000427069914 514107135 /nfs/dbraw/zinc/10/71/35/514107135.db2.gz OXBKZCIWDMCYMW-UHFFFAOYSA-N 1 0 357.410 2.638 20 5 FFBDRO CC(C)[C@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])c1nc(-c2nc[nH]n2)no1 ZINC000449197262 514108927 /nfs/dbraw/zinc/10/89/27/514108927.db2.gz YNWOLZQHJBXJNN-FZMZJTMJSA-N 1 0 371.401 2.681 20 5 FFBDRO CC[NH+](CC)[C@H]1CCN(C(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000437184777 514110685 /nfs/dbraw/zinc/11/06/85/514110685.db2.gz DOMCXXUFKCTTFL-JSGCOSHPSA-N 1 0 369.849 2.958 20 5 FFBDRO COC(=O)[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)C[C@H]1c1ccccc1 ZINC000451995129 514120935 /nfs/dbraw/zinc/12/09/35/514120935.db2.gz MYZKLHVLLYCHNQ-ROUUACIJSA-N 1 0 370.405 2.992 20 5 FFBDRO COc1ccc(OCCN2CC[NH2+]C[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000420419334 514142310 /nfs/dbraw/zinc/14/23/10/514142310.db2.gz XQFBRXMFZXRKGV-SFHVURJKSA-N 1 0 357.410 2.629 20 5 FFBDRO [NH3+][C@H]1CCC[C@@H](CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000423696300 514203961 /nfs/dbraw/zinc/20/39/61/514203961.db2.gz HRHGOXMDXSTASV-PWSUYJOCSA-N 1 0 357.863 2.974 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N(CCC[NH3+])CC1CCCC1 ZINC000414652214 514223129 /nfs/dbraw/zinc/22/31/29/514223129.db2.gz GOGDOLMIJQSURR-UHFFFAOYSA-N 1 0 350.419 2.976 20 5 FFBDRO COc1ccc(CNC(=O)N[C@@H](CCC[NH3+])c2ccccc2)cc1[N+](=O)[O-] ZINC000417196933 514223653 /nfs/dbraw/zinc/22/36/53/514223653.db2.gz PTYGPKNXEXYLSY-INIZCTEOSA-N 1 0 372.425 2.883 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000414654380 514223824 /nfs/dbraw/zinc/22/38/24/514223824.db2.gz JCMLPIHGEAKWAH-INIZCTEOSA-N 1 0 362.430 2.845 20 5 FFBDRO COc1cc(C[NH2+][C@H]2CCO[C@@H](c3ccncc3)C2)c([N+](=O)[O-])cc1O ZINC000449543598 514248553 /nfs/dbraw/zinc/24/85/53/514248553.db2.gz TXBPGSCOIYIEIU-WMLDXEAASA-N 1 0 359.382 2.714 20 5 FFBDRO COc1cc(C[N@@H+]2CC[C@@H]3C[C@H](O)CC[C@@H]3C2)c([N+](=O)[O-])cc1OC ZINC000449550065 514250847 /nfs/dbraw/zinc/25/08/47/514250847.db2.gz BXERSONCJLPBDB-UMVBOHGHSA-N 1 0 350.415 2.595 20 5 FFBDRO Cn1cc(C[N@@H+]2CC[C@@H]3C[C@H](O)CC[C@@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000449558872 514254709 /nfs/dbraw/zinc/25/47/09/514254709.db2.gz XEJBXNAGRUUYSY-GPMSIDNRSA-N 1 0 370.453 2.978 20 5 FFBDRO CC1(C)CCC[N@H+](CCNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000444628312 514278230 /nfs/dbraw/zinc/27/82/30/514278230.db2.gz HXMMKXVDQZLOJJ-UHFFFAOYSA-N 1 0 371.441 2.632 20 5 FFBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N(C)[C@@H](C[NH3+])C3CC3)cc2[N+](=O)[O-])C1 ZINC000423943261 514299534 /nfs/dbraw/zinc/29/95/34/514299534.db2.gz COSXDKCVHNKLDL-LPMFXHHGSA-N 1 0 374.485 2.886 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000449683589 514302593 /nfs/dbraw/zinc/30/25/93/514302593.db2.gz PNCTXEMWVSEBSG-WCQYABFASA-N 1 0 355.822 2.664 20 5 FFBDRO C[C@@H](NS(=O)(=O)c1ccc(C[NH+](C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000432858136 514303251 /nfs/dbraw/zinc/30/32/51/514303251.db2.gz HVZHIXLLAVKNMJ-CYBMUJFWSA-N 1 0 363.439 2.696 20 5 FFBDRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000449701789 514313132 /nfs/dbraw/zinc/31/31/32/514313132.db2.gz CGNZUSNFHRAXKQ-AWEZNQCLSA-N 1 0 355.822 2.521 20 5 FFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000423971014 514313950 /nfs/dbraw/zinc/31/39/50/514313950.db2.gz JWHZUBVOBRLSPO-CZUORRHYSA-N 1 0 351.834 2.781 20 5 FFBDRO COc1cc(C(=O)Nc2nc(C3CC[NH2+]CC3)cs2)ccc1[N+](=O)[O-] ZINC000423979258 514320276 /nfs/dbraw/zinc/32/02/76/514320276.db2.gz OZDUPLJSGOMQIL-UHFFFAOYSA-N 1 0 362.411 2.779 20 5 FFBDRO O=C(COc1ccc([N+](=O)[O-])c2cccnc12)NCC[NH+]1CCCCCC1 ZINC000427891255 514341148 /nfs/dbraw/zinc/34/11/48/514341148.db2.gz AKCJLUDDFQVQFU-UHFFFAOYSA-N 1 0 372.425 2.514 20 5 FFBDRO C[C@H]1CCCC[N@@H+]1CCNC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000427920236 514345914 /nfs/dbraw/zinc/34/59/14/514345914.db2.gz AUVQPJRTCVWQCP-AWEZNQCLSA-N 1 0 372.425 2.512 20 5 FFBDRO Cn1ccnc1[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000449774703 514349787 /nfs/dbraw/zinc/34/97/87/514349787.db2.gz PFAULXSKNWJKOS-IUODEOHRSA-N 1 0 350.806 2.992 20 5 FFBDRO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000424040895 514354729 /nfs/dbraw/zinc/35/47/29/514354729.db2.gz MKEULUPKTXMCDY-GOSISDBHSA-N 1 0 360.458 2.633 20 5 FFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC1(CO)CC2(CCC2)C1 ZINC000433060146 514366483 /nfs/dbraw/zinc/36/64/83/514366483.db2.gz XGDOPDHVPIATIC-AWEZNQCLSA-N 1 0 361.442 2.844 20 5 FFBDRO C[C@@]1(Cc2ccc(F)cc2)CCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000420921463 514377060 /nfs/dbraw/zinc/37/70/60/514377060.db2.gz CUROLWXDRHLUIB-IBGZPJMESA-N 1 0 359.401 2.993 20 5 FFBDRO COc1cc(C[N@H+]2C[C@H](CO)C[C@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000420949384 514396948 /nfs/dbraw/zinc/39/69/48/514396948.db2.gz VLRCYHXPXMLUKI-NWDGAFQWSA-N 1 0 374.384 2.698 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N(C)C3CC[NH2+]CC3)cc2[N+](=O)[O-])C1 ZINC000428331484 514449738 /nfs/dbraw/zinc/44/97/38/514449738.db2.gz PTTFLQHRNZEVNG-CQSZACIVSA-N 1 0 360.458 2.655 20 5 FFBDRO CS(=O)(=O)CCCC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000424305524 514452097 /nfs/dbraw/zinc/45/20/97/514452097.db2.gz DSSRAOYETZTNQW-GDBMZVCRSA-N 1 0 354.472 2.720 20 5 FFBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C1 ZINC000450100889 514498429 /nfs/dbraw/zinc/49/84/29/514498429.db2.gz LYUIGLAIGHSBGT-DZGCQCFKSA-N 1 0 357.414 2.588 20 5 FFBDRO NC(=O)c1cccc(NC[C@H]2CC[N@H+](CCc3ccccc3)C2)c1[N+](=O)[O-] ZINC000439161714 514502752 /nfs/dbraw/zinc/50/27/52/514502752.db2.gz YALBEKXZZAUSIV-MRXNPFEDSA-N 1 0 368.437 2.670 20 5 FFBDRO C[NH+](C)CCOc1cccc(NC(=O)NCCc2ccccc2[N+](=O)[O-])c1 ZINC000466141810 514565982 /nfs/dbraw/zinc/56/59/82/514565982.db2.gz IOKWBLQAOPEDDK-UHFFFAOYSA-N 1 0 372.425 2.899 20 5 FFBDRO C[N@@H+]1CCC[C@H](CCNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000458166557 514594751 /nfs/dbraw/zinc/59/47/51/514594751.db2.gz CHOFEZSYDNDZAW-OAHLLOKOSA-N 1 0 360.458 2.657 20 5 FFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475309637 514611801 /nfs/dbraw/zinc/61/18/01/514611801.db2.gz XKCCESPKPMVFCN-MRXNPFEDSA-N 1 0 354.410 2.645 20 5 FFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@@H]1C[C@H](F)CN1Cc1ncccn1 ZINC000470822256 514627459 /nfs/dbraw/zinc/62/74/59/514627459.db2.gz QHMKBXQOYMJJDN-HFTRVMKXSA-N 1 0 373.432 2.990 20 5 FFBDRO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000502434305 514649854 /nfs/dbraw/zinc/64/98/54/514649854.db2.gz FUFZSHOFAQZFEU-UHFFFAOYSA-N 1 0 358.442 2.918 20 5 FFBDRO O=C(NCCCCC[NH+]1CCCC1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000508179365 514695980 /nfs/dbraw/zinc/69/59/80/514695980.db2.gz RJEUEAGMPDNDKL-UHFFFAOYSA-N 1 0 371.441 2.776 20 5 FFBDRO COCC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@@H]1CC[C@@H](C)C1 ZINC000484852103 514815369 /nfs/dbraw/zinc/81/53/69/514815369.db2.gz BBFYMDWTSMAWLC-ZIAGYGMSSA-N 1 0 365.430 2.679 20 5 FFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000471388580 514862591 /nfs/dbraw/zinc/86/25/91/514862591.db2.gz PTVXGPSRHZCOIG-KDURUIRLSA-N 1 0 365.433 2.728 20 5 FFBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000498471481 514917021 /nfs/dbraw/zinc/91/70/21/514917021.db2.gz PLBFKZTZBYTUJA-CYBMUJFWSA-N 1 0 368.865 2.774 20 5 FFBDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000471533702 514919790 /nfs/dbraw/zinc/91/97/90/514919790.db2.gz XNLMLVWDAXJJRB-INIZCTEOSA-N 1 0 369.849 2.821 20 5 FFBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000462190959 514932861 /nfs/dbraw/zinc/93/28/61/514932861.db2.gz RNCWPDHHSNVFGO-UGSOOPFHSA-N 1 0 357.385 2.984 20 5 FFBDRO Cc1sc(S(=O)(=O)NCC2([NH+](C)C)CCCCC2)cc1[N+](=O)[O-] ZINC000467256425 514955705 /nfs/dbraw/zinc/95/57/05/514955705.db2.gz SMSVOYDBGZXCDC-UHFFFAOYSA-N 1 0 361.489 2.508 20 5 FFBDRO O=C1C[C@@H]([N@@H+]2CCC3(C2)CCCCC3)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000462273191 514968405 /nfs/dbraw/zinc/96/84/05/514968405.db2.gz BIAQARYZKNXMBG-MRXNPFEDSA-N 1 0 357.410 2.883 20 5 FFBDRO CC(C)[NH+](CCN(C)c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C)C(C)C ZINC000508977845 514972690 /nfs/dbraw/zinc/97/26/90/514972690.db2.gz IKICQGSXYIARPM-UHFFFAOYSA-N 1 0 360.462 2.945 20 5 FFBDRO CC(C)(C[NH+]1CCCC1)NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000458639958 514979978 /nfs/dbraw/zinc/97/99/78/514979978.db2.gz UIRSMVNYHLIGLT-UHFFFAOYSA-N 1 0 368.865 2.964 20 5 FFBDRO COC(=O)c1ccccc1CC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000480514104 514984703 /nfs/dbraw/zinc/98/47/03/514984703.db2.gz KXMDQRJTZCKXBE-UHFFFAOYSA-N 1 0 369.421 2.746 20 5 FFBDRO CCCN(C(=O)c1cc([N+](=O)[O-])n[nH]1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000509098889 515021488 /nfs/dbraw/zinc/02/14/88/515021488.db2.gz VVOVQHOLSYIAQU-INIZCTEOSA-N 1 0 371.441 2.835 20 5 FFBDRO CCC[C@H]([NH2+]CCN1C(=O)NC2(CCCC2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000480695527 515047871 /nfs/dbraw/zinc/04/78/71/515047871.db2.gz RRBMVIZIEPDVSD-INIZCTEOSA-N 1 0 374.441 2.890 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N3CC[N@H+](C)CC[C@H]3C)cc2[N+](=O)[O-])CC1 ZINC000498740263 515048706 /nfs/dbraw/zinc/04/87/06/515048706.db2.gz WXHLWHJWPBBRID-MRXNPFEDSA-N 1 0 374.485 2.997 20 5 FFBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH2+][C@@H]1CCC[C@H]1OC(F)F ZINC000503518991 515065776 /nfs/dbraw/zinc/06/57/76/515065776.db2.gz ZMEYLKIBCOWRBJ-DGCLKSJQSA-N 1 0 371.340 2.643 20 5 FFBDRO COc1cc(CN2CCC[C@@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000490035392 515077099 /nfs/dbraw/zinc/07/70/99/515077099.db2.gz WXZXVENGEKSJHP-KRWDZBQOSA-N 1 0 371.384 2.780 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)c1C ZINC000480926161 515137300 /nfs/dbraw/zinc/13/73/00/515137300.db2.gz KNHXXMMNIVDQFS-ZIAGYGMSSA-N 1 0 369.487 2.753 20 5 FFBDRO C[C@H](NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000467849780 515146753 /nfs/dbraw/zinc/14/67/53/515146753.db2.gz IRKZSXCAQWFDJD-OXJNMPFZSA-N 1 0 355.438 2.882 20 5 FFBDRO C[C@@H](C(=O)NC(C)(C)C)N(C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000485857193 515220501 /nfs/dbraw/zinc/22/05/01/515220501.db2.gz IQHKYQQKOJXWBZ-LBPRGKRZSA-N 1 0 360.414 2.985 20 5 FFBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000468185734 515253702 /nfs/dbraw/zinc/25/37/02/515253702.db2.gz HITWNVNJRIISLX-OAHLLOKOSA-N 1 0 374.445 2.528 20 5 FFBDRO CS[C@@H]1CN(Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@@H]1[NH+]1CCCC1 ZINC000509622079 515262377 /nfs/dbraw/zinc/26/23/77/515262377.db2.gz BFIIWQYJFAVELL-JKSUJKDBSA-N 1 0 357.426 2.885 20 5 FFBDRO CCOC(=O)CC(C)(C)[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000490646533 515273557 /nfs/dbraw/zinc/27/35/57/515273557.db2.gz HCGKUFYHYOOMNC-UHFFFAOYSA-N 1 0 365.430 2.895 20 5 FFBDRO CNc1c(C(=O)Nc2cccc(OCC[NH+](C)C)c2)cccc1[N+](=O)[O-] ZINC000462929871 515303106 /nfs/dbraw/zinc/30/31/06/515303106.db2.gz UEGQXOOYJZALKH-UHFFFAOYSA-N 1 0 358.398 2.829 20 5 FFBDRO Cc1c([C@H](C)[NH2+]C[C@@H](O)COc2ccc3c(c2)OCO3)cccc1[N+](=O)[O-] ZINC000481554757 515377564 /nfs/dbraw/zinc/37/75/64/515377564.db2.gz CBGZCFJZGCYGTN-UONOGXRCSA-N 1 0 374.393 2.722 20 5 FFBDRO O=C(Cc1ccccc1)N1CCC[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000509961086 515383309 /nfs/dbraw/zinc/38/33/09/515383309.db2.gz XJCJQHZJOJQQEE-GOSISDBHSA-N 1 0 353.422 2.918 20 5 FFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCN(CCOC)C1 ZINC000504906481 515405902 /nfs/dbraw/zinc/40/59/02/515405902.db2.gz YTTGAHSVCXZNDR-CABCVRRESA-N 1 0 353.488 2.776 20 5 FFBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)c2ccccc2)c1 ZINC000491305711 515411064 /nfs/dbraw/zinc/41/10/64/515411064.db2.gz NBBURVUGKYSVHO-KSSFIOAISA-N 1 0 360.435 2.709 20 5 FFBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)c2ccccc2)c1 ZINC000491305709 515411443 /nfs/dbraw/zinc/41/14/43/515411443.db2.gz NBBURVUGKYSVHO-KDOFPFPSSA-N 1 0 360.435 2.709 20 5 FFBDRO COCCC(=O)N1CCC([NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000468739007 515496510 /nfs/dbraw/zinc/49/65/10/515496510.db2.gz JTGKFOLAYITBRM-QINSGFPZSA-N 1 0 361.442 2.615 20 5 FFBDRO CC[C@@H](C)[NH2+][C@H](CNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccco1 ZINC000510363076 515516004 /nfs/dbraw/zinc/51/60/04/515516004.db2.gz KKPIBXDGDOIKIG-CHWSQXEVSA-N 1 0 367.427 2.596 20 5 FFBDRO O=[N+]([O-])c1ccc2[nH]c(N3CCCN(Cc4ccncc4F)CC3)nc2c1 ZINC000459407241 515531080 /nfs/dbraw/zinc/53/10/80/515531080.db2.gz VKDJIPFTUKURJO-UHFFFAOYSA-N 1 0 370.388 2.718 20 5 FFBDRO CCCN(CC[NH+]1CCCCC1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000510485463 515552320 /nfs/dbraw/zinc/55/23/20/515552320.db2.gz MBCZTCDIIPNZTO-UHFFFAOYSA-N 1 0 369.487 2.623 20 5 FFBDRO C[NH+]1CCN(Cc2cccc(C(=O)Nc3cc(F)cc([N+](=O)[O-])c3)c2)CC1 ZINC000473349632 515584230 /nfs/dbraw/zinc/58/42/30/515584230.db2.gz KXOQLTSLOACMOJ-UHFFFAOYSA-N 1 0 372.400 2.734 20 5 FFBDRO C[NH+](C)CCOc1cccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)c1 ZINC000500108788 515593984 /nfs/dbraw/zinc/59/39/84/515593984.db2.gz VTUWGIXGTHTBEH-UHFFFAOYSA-N 1 0 362.361 2.509 20 5 FFBDRO CC(C)[C@@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C1(CO)CCCC1 ZINC000459546350 515638142 /nfs/dbraw/zinc/63/81/42/515638142.db2.gz UOOUHRJOHJGDDI-GOSISDBHSA-N 1 0 363.458 2.725 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)C[C@H]1C ZINC000493891582 515678847 /nfs/dbraw/zinc/67/88/47/515678847.db2.gz OEJLICDPQHHOSB-CABCVRRESA-N 1 0 369.487 2.705 20 5 FFBDRO CCc1ccc(C(=O)Nc2ccnc(OCC[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000478044334 515680216 /nfs/dbraw/zinc/68/02/16/515680216.db2.gz ZECDPYWERUYYNW-UHFFFAOYSA-N 1 0 358.398 2.745 20 5 FFBDRO C[C@@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1nc2c(s1)CCC2 ZINC000459632183 515709181 /nfs/dbraw/zinc/70/91/81/515709181.db2.gz DXOMKJPPUUFZAW-DGCLKSJQSA-N 1 0 363.439 2.631 20 5 FFBDRO C[C@@H]1[C@@H](NC(=O)CNc2ccccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000494061267 515723786 /nfs/dbraw/zinc/72/37/86/515723786.db2.gz VKMFQDBXLXJQJW-WBVHZDCISA-N 1 0 368.437 2.786 20 5 FFBDRO CCCC[C@H](C(=O)Nc1cc(C)on1)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000511122168 515792694 /nfs/dbraw/zinc/79/26/94/515792694.db2.gz HUSZJLYMFBDNCP-QGZVFWFLSA-N 1 0 374.441 2.985 20 5 FFBDRO C[C@H](C[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000459806272 515818204 /nfs/dbraw/zinc/81/82/04/515818204.db2.gz MNEVEHJZFUDDPH-CYBMUJFWSA-N 1 0 365.430 2.833 20 5 FFBDRO C[C@@H](C[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C ZINC000459810813 515823255 /nfs/dbraw/zinc/82/32/55/515823255.db2.gz QIRBHUZKOFZWDV-ZDUSSCGKSA-N 1 0 365.430 2.833 20 5 FFBDRO CNc1nc(C(=O)N[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000454958052 515857583 /nfs/dbraw/zinc/85/75/83/515857583.db2.gz VHHNTFBPTUDSBS-UKRRQHHQSA-N 1 0 369.425 2.597 20 5 FFBDRO C[N@@H+]1C[C@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000478533690 515861062 /nfs/dbraw/zinc/86/10/62/515861062.db2.gz GKIMNYZCISDFSD-WMZOPIPTSA-N 1 0 368.437 2.611 20 5 FFBDRO O=[N+]([O-])c1ccn(CC[N@H+](CCCOc2ccccc2)C2CCOCC2)n1 ZINC000464595372 515887154 /nfs/dbraw/zinc/88/71/54/515887154.db2.gz ILJNFDPMQUFRJZ-UHFFFAOYSA-N 1 0 374.441 2.741 20 5 FFBDRO Cc1csc(C2([NH2+]C[C@@H](O)COc3ccccc3[N+](=O)[O-])CCC2)n1 ZINC000494812066 515969569 /nfs/dbraw/zinc/96/95/69/515969569.db2.gz XEHHSPONXGAGIX-CYBMUJFWSA-N 1 0 363.439 2.768 20 5 FFBDRO CC(C)(NC(=O)c1ccc2c(c1)CC[NH2+]CC2)c1ccc([N+](=O)[O-])cc1 ZINC000474290231 515973399 /nfs/dbraw/zinc/97/33/99/515973399.db2.gz HFOOCSVXJVLFBN-UHFFFAOYSA-N 1 0 353.422 2.948 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)NCC[N@H+]3CC=CCC3)cc2[N+](=O)[O-])C1 ZINC000506766017 515978846 /nfs/dbraw/zinc/97/88/46/515978846.db2.gz IEZWZCIQUVVHPQ-MRXNPFEDSA-N 1 0 372.469 2.823 20 5 FFBDRO C[NH+]1CCC(CNC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000494911686 516004245 /nfs/dbraw/zinc/00/42/45/516004245.db2.gz UJUUNDHWOZCOLV-UHFFFAOYSA-N 1 0 374.363 2.755 20 5 FFBDRO C[NH+](C)C[C@@H]1CCCN1C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000464924072 516017431 /nfs/dbraw/zinc/01/74/31/516017431.db2.gz RYFRMRYAWMWZAN-ZDUSSCGKSA-N 1 0 355.822 2.570 20 5 FFBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000501228235 516022842 /nfs/dbraw/zinc/02/28/42/516022842.db2.gz MRCQQNKSHFJBPX-DOTOQJQBSA-N 1 0 369.421 2.925 20 5 FFBDRO CC(C)[C@H]1OCCC[C@H]1CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000488060517 516099710 /nfs/dbraw/zinc/09/97/10/516099710.db2.gz IMPBRFSOAQFODH-MAUKXSAKSA-N 1 0 372.425 2.962 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000501504939 516129638 /nfs/dbraw/zinc/12/96/38/516129638.db2.gz OSDWFBGASOZICW-CHWSQXEVSA-N 1 0 350.419 2.988 20 5 FFBDRO C[C@H](CNC(=O)NCCNc1ccccc1[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC000501540229 516146680 /nfs/dbraw/zinc/14/66/80/516146680.db2.gz YVLAJYWKCWZAKZ-HUUCEWRRSA-N 1 0 363.462 2.569 20 5 FFBDRO NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000470156394 516151214 /nfs/dbraw/zinc/15/12/14/516151214.db2.gz OCHBPYOYMJQIIJ-SKDZVZGDSA-N 1 0 355.394 2.941 20 5 FFBDRO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000470173989 516162754 /nfs/dbraw/zinc/16/27/54/516162754.db2.gz HDPZVCXALZHADS-ZDUSSCGKSA-N 1 0 369.368 2.943 20 5 FFBDRO CNc1nc(C(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000455406010 516181873 /nfs/dbraw/zinc/18/18/73/516181873.db2.gz GIUCOGQLYOADEX-CYBMUJFWSA-N 1 0 371.441 2.891 20 5 FFBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000465535183 516184468 /nfs/dbraw/zinc/18/44/68/516184468.db2.gz WRRZKJAJFQUVNC-IYBDPMFKSA-N 1 0 362.474 2.805 20 5 FFBDRO CC[NH+]1CCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2CC(C)C)CC1 ZINC000460606719 516200482 /nfs/dbraw/zinc/20/04/82/516200482.db2.gz MPYSKKNEMJDFLQ-UHFFFAOYSA-N 1 0 358.446 2.651 20 5 FFBDRO CCOC(=O)c1cc(N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000488741186 516298035 /nfs/dbraw/zinc/29/80/35/516298035.db2.gz BLZCGOZKVSEBHT-SUNYJGFJSA-N 1 0 361.442 2.938 20 5 FFBDRO C[NH+]1CCC(Nc2c3cc(Br)ccc3ncc2[N+](=O)[O-])CC1 ZINC000502081092 516299676 /nfs/dbraw/zinc/29/96/76/516299676.db2.gz OROFAOXPHJZSDQ-UHFFFAOYSA-N 1 0 365.231 2.834 20 5 FFBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000497481285 516323584 /nfs/dbraw/zinc/32/35/84/516323584.db2.gz HGUHMNYWDKXFDC-AWEZNQCLSA-N 1 0 354.838 2.574 20 5 FFBDRO CCc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])nn2C)[NH+](CC)CC)cc1 ZINC000554226941 516334428 /nfs/dbraw/zinc/33/44/28/516334428.db2.gz NFPYBDPZNYXHEP-QGZVFWFLSA-N 1 0 373.457 2.704 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CC(=O)N(CCOc2ccccc2)C1 ZINC000543633836 516339438 /nfs/dbraw/zinc/33/94/38/516339438.db2.gz RUTOKYLTCXZSKA-QGZVFWFLSA-N 1 0 369.421 2.673 20 5 FFBDRO C[C@@H]([NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1)C(=O)N(C)C ZINC000531207008 516348405 /nfs/dbraw/zinc/34/84/05/516348405.db2.gz QKZIGWQNXPMHCT-CQSZACIVSA-N 1 0 356.426 2.929 20 5 FFBDRO CCN(CC[NH+]1CCCCCC1)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000554271020 516354490 /nfs/dbraw/zinc/35/44/90/516354490.db2.gz DKMSSRAKTLROLN-UHFFFAOYSA-N 1 0 362.474 2.756 20 5 FFBDRO COc1c[nH+]ccc1N1CCN(c2ccc([N+](=O)[O-])c(C(C)=O)c2)CC1 ZINC000557663195 516367781 /nfs/dbraw/zinc/36/77/81/516367781.db2.gz XNDYPBUFRFWVGL-UHFFFAOYSA-N 1 0 356.382 2.528 20 5 FFBDRO CC[N@H+](CCNC(=O)c1cc([N+](=O)[O-])cc(Br)c1C)C1CC1 ZINC000550689920 516384349 /nfs/dbraw/zinc/38/43/49/516384349.db2.gz FQDQWCRAYBCSPE-UHFFFAOYSA-N 1 0 370.247 2.880 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCn1cc(Br)cn1 ZINC000512977919 516431064 /nfs/dbraw/zinc/43/10/64/516431064.db2.gz UVHINYCBFRRAIH-UHFFFAOYSA-N 1 0 369.219 2.742 20 5 FFBDRO CCN(CC[NH+]1CCCCCC1)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000557848802 516469789 /nfs/dbraw/zinc/46/97/89/516469789.db2.gz KJVWPAAXOGASCE-UHFFFAOYSA-N 1 0 369.487 2.623 20 5 FFBDRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc2n[nH]cc2c1 ZINC000513179424 516506290 /nfs/dbraw/zinc/50/62/90/516506290.db2.gz XUYUMKNRZAWTKZ-GFCCVEGCSA-N 1 0 374.422 2.596 20 5 FFBDRO NC(=O)[C@@H](Cc1ccc(F)cc1)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000544069795 516567872 /nfs/dbraw/zinc/56/78/72/516567872.db2.gz QLBDLDDGMVIURF-OAHLLOKOSA-N 1 0 365.792 2.616 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](c1cnn(C)c1)C(C)(C)C ZINC000540475368 516571068 /nfs/dbraw/zinc/57/10/68/516571068.db2.gz HBZRPQBTRBWCBB-QGZVFWFLSA-N 1 0 359.430 2.952 20 5 FFBDRO CC(=O)NC1CCC([N@H+](C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000544111544 516588746 /nfs/dbraw/zinc/58/87/46/516588746.db2.gz UTZWHFKORPBEDU-UHFFFAOYSA-N 1 0 373.413 2.524 20 5 FFBDRO C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C1CCN(CCO)CC1 ZINC000513567228 516673708 /nfs/dbraw/zinc/67/37/08/516673708.db2.gz DUSJDMVEQHEGFF-UHFFFAOYSA-N 1 0 359.426 2.743 20 5 FFBDRO C[NH+]1CCC(Nc2ccccc2NC(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000531887556 516692770 /nfs/dbraw/zinc/69/27/70/516692770.db2.gz IIWNRNHPLMSGSC-UHFFFAOYSA-N 1 0 355.398 2.748 20 5 FFBDRO COc1ccc(NC(=O)NCCC[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000561645640 516696600 /nfs/dbraw/zinc/69/66/00/516696600.db2.gz DCIUGZFUZJRWMI-UHFFFAOYSA-N 1 0 350.419 2.847 20 5 FFBDRO COc1ccc(CC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000536262823 516700194 /nfs/dbraw/zinc/70/01/94/516700194.db2.gz JGHNCNIQONLFBD-OXQOHEQNSA-N 1 0 369.421 2.708 20 5 FFBDRO CC(C)[NH+]1CCC(N[C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000513717709 516730842 /nfs/dbraw/zinc/73/08/42/516730842.db2.gz RBPDGAPDFZCGEP-SFHVURJKSA-N 1 0 357.458 2.880 20 5 FFBDRO CC[C@@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1c(C)nn(C)c1C ZINC000544416766 516752130 /nfs/dbraw/zinc/75/21/30/516752130.db2.gz GBAUPZFWXJUWPR-MRXNPFEDSA-N 1 0 371.441 2.575 20 5 FFBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C[C@@H](C)C1 ZINC000561760651 516754239 /nfs/dbraw/zinc/75/42/39/516754239.db2.gz IGDWIAYLRLJGFQ-GDZNZVCISA-N 1 0 356.426 2.878 20 5 FFBDRO Cn1ccnc1[C@H](NCCC[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000518788370 516776132 /nfs/dbraw/zinc/77/61/32/516776132.db2.gz OOCHNUTWGRLPNM-GOSISDBHSA-N 1 0 357.458 2.883 20 5 FFBDRO Cc1nc2ccccc2n1CC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000558579893 516818652 /nfs/dbraw/zinc/81/86/52/516818652.db2.gz AGWBYHMAHCIRHA-UHFFFAOYSA-N 1 0 367.409 2.871 20 5 FFBDRO CC[N@H+](CCC1CCN(C(=O)c2[nH]nc(C)c2[N+](=O)[O-])CC1)CC1CC1 ZINC000536589591 516838856 /nfs/dbraw/zinc/83/88/56/516838856.db2.gz OIRJMLBZYLHFQD-UHFFFAOYSA-N 1 0 363.462 2.601 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000541035867 516840623 /nfs/dbraw/zinc/84/06/23/516840623.db2.gz GOKPNXKBKJJDBF-AAEUAGOBSA-N 1 0 371.384 2.999 20 5 FFBDRO Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ccccc1NC1CC[NH+](C)CC1 ZINC000519019681 516857601 /nfs/dbraw/zinc/85/76/01/516857601.db2.gz AJNZHYFUXVSOFL-UHFFFAOYSA-N 1 0 357.414 2.692 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCCC[C@H]1C[NH+](C)C ZINC000519139857 516897556 /nfs/dbraw/zinc/89/75/56/516897556.db2.gz CZMKHAKOPNEEBQ-JSGCOSHPSA-N 1 0 369.849 2.958 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)C[C@H]1C ZINC000525053988 516903890 /nfs/dbraw/zinc/90/38/90/516903890.db2.gz TUMQXMIUMCTRDE-TZMCWYRMSA-N 1 0 365.430 2.557 20 5 FFBDRO O=[N+]([O-])c1ccn(Cc2nc(-c3ccccc3C[NH+]3CCCCC3)no2)n1 ZINC000544810684 516938692 /nfs/dbraw/zinc/93/86/92/516938692.db2.gz MIEJRXYIQURCGR-UHFFFAOYSA-N 1 0 368.397 2.876 20 5 FFBDRO O=C1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CN1[C@@H]1C[C@H]1c1ccccc1 ZINC000525195353 516956054 /nfs/dbraw/zinc/95/60/54/516956054.db2.gz IQNOHZRLWLRMRW-YTQUADARSA-N 1 0 351.406 2.841 20 5 FFBDRO COc1ccc(C[NH2+]C[C@@H](O)COc2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000514720709 517023647 /nfs/dbraw/zinc/02/36/47/517023647.db2.gz WXBUTOOYCWVPAM-MRXNPFEDSA-N 1 0 360.410 2.750 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C[C@@H]1C ZINC000525396028 517028740 /nfs/dbraw/zinc/02/87/40/517028740.db2.gz KRAKLPRVNUDROD-KBXCAEBGSA-N 1 0 371.441 2.725 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C[C@@H]1C ZINC000525397448 517029483 /nfs/dbraw/zinc/02/94/83/517029483.db2.gz PFNBQKNMEGYWTK-STQMWFEESA-N 1 0 372.425 2.793 20 5 FFBDRO O=C(C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])N[C@@H]1CCOc2ccccc21 ZINC000519544307 517037470 /nfs/dbraw/zinc/03/74/70/517037470.db2.gz FMNUAQXXLWFYAD-DLBZAZTESA-N 1 0 367.405 2.812 20 5 FFBDRO COC(=O)c1cnc(N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000514752255 517039212 /nfs/dbraw/zinc/03/92/12/517039212.db2.gz QGEJOVSOYGFIOQ-CZUORRHYSA-N 1 0 370.409 2.851 20 5 FFBDRO Cn1ccnc1[C@H](NCC1(C)CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000552067649 517061298 /nfs/dbraw/zinc/06/12/98/517061298.db2.gz SLAUTNPTKPGFEJ-QGZVFWFLSA-N 1 0 357.458 2.739 20 5 FFBDRO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C1CCOCC1 ZINC000537220080 517095327 /nfs/dbraw/zinc/09/53/27/517095327.db2.gz MVZFUJIGHYWNKX-IUODEOHRSA-N 1 0 365.430 2.725 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C2(c3ccccc3)CCOCC2)c1 ZINC000532707966 517106763 /nfs/dbraw/zinc/10/67/63/517106763.db2.gz IAGQPSTZZZYSSZ-GOSISDBHSA-N 1 0 372.421 2.630 20 5 FFBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000555787011 517121525 /nfs/dbraw/zinc/12/15/25/517121525.db2.gz QRENMMYRLDQKDL-CQSZACIVSA-N 1 0 370.247 2.736 20 5 FFBDRO CCC(CC)[C@@H](CNc1ncnc2cccc([N+](=O)[O-])c21)[NH+]1CCOCC1 ZINC000541578563 517121856 /nfs/dbraw/zinc/12/18/56/517121856.db2.gz QLMLBQFACAHDMS-QGZVFWFLSA-N 1 0 373.457 2.509 20 5 FFBDRO O=C1CC[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)[C@@H](C2CC2)N1 ZINC000559234410 517124377 /nfs/dbraw/zinc/12/43/77/517124377.db2.gz MVVBPAAWNAKPGH-DZGCQCFKSA-N 1 0 357.332 2.760 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCCC[NH+]2CCC(C)CC2)c1 ZINC000537298229 517134095 /nfs/dbraw/zinc/13/40/95/517134095.db2.gz GJTYDGRRWHTZJE-UHFFFAOYSA-N 1 0 363.458 2.910 20 5 FFBDRO Cn1ccnc1[C@H](NCC[N@H+](C)C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000552249643 517162581 /nfs/dbraw/zinc/16/25/81/517162581.db2.gz GUCOCHMWSQSCCZ-GOSISDBHSA-N 1 0 357.458 2.882 20 5 FFBDRO O=C(NCCc1ccccc1[N+](=O)[O-])[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000548751547 517188811 /nfs/dbraw/zinc/18/88/11/517188811.db2.gz HRATVAVKIOCZMN-GOSISDBHSA-N 1 0 368.437 2.561 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H]2CCC[C@H](C3CC3)C2)cc1 ZINC000541737681 517193433 /nfs/dbraw/zinc/19/34/33/517193433.db2.gz ALTZPXIZOVHWFK-GJZGRUSLSA-N 1 0 352.456 2.927 20 5 FFBDRO CCN(C(=O)c1ccc([N+](=O)[O-])n1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000545476804 517257974 /nfs/dbraw/zinc/25/79/74/517257974.db2.gz KBAIEZXIVJDHIP-MRXNPFEDSA-N 1 0 356.426 2.670 20 5 FFBDRO C[C@@]1(CNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CCC[NH2+]C1 ZINC000515233945 517266657 /nfs/dbraw/zinc/26/66/57/517266657.db2.gz GFHHBGVJPQIJRJ-MRXNPFEDSA-N 1 0 355.822 2.523 20 5 FFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C1CC1)[C@@]1(CO)CCCO1 ZINC000559467633 517272619 /nfs/dbraw/zinc/27/26/19/517272619.db2.gz SGJRPMLTJQVSGL-MOPGFXCFSA-N 1 0 364.442 2.792 20 5 FFBDRO COC(=O)CC1([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CCCCC1 ZINC000533068599 517278018 /nfs/dbraw/zinc/27/80/18/517278018.db2.gz DQMBJXRWPHHBGG-UHFFFAOYSA-N 1 0 363.414 2.697 20 5 FFBDRO CC[N@@H+](Cc1ccc2c(c1)OCO2)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000520452927 517398577 /nfs/dbraw/zinc/39/85/77/517398577.db2.gz LPKZQRLVHNPPDT-OAHLLOKOSA-N 1 0 374.393 2.585 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000533447573 517469128 /nfs/dbraw/zinc/46/91/28/517469128.db2.gz JQMWOFNZELFBSN-TZMCWYRMSA-N 1 0 368.865 2.991 20 5 FFBDRO Cc1ccc([C@@H](CNc2cccc(C(N)=O)c2[N+](=O)[O-])[NH+]2CCCC2)o1 ZINC000553048980 517496736 /nfs/dbraw/zinc/49/67/36/517496736.db2.gz HYJWKQCKNDWFSA-OAHLLOKOSA-N 1 0 358.398 2.844 20 5 FFBDRO O=C(NC1CC1)N[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000546266956 517623196 /nfs/dbraw/zinc/62/31/96/517623196.db2.gz QBXSYDMPJNELAX-CQSZACIVSA-N 1 0 370.409 2.891 20 5 FFBDRO Cc1c(Br)c(N2CC[C@@]3(C2)CCC[N@@H+](C)C3)ncc1[N+](=O)[O-] ZINC000549576842 517625594 /nfs/dbraw/zinc/62/55/94/517625594.db2.gz DCFHCFRBFQCFQP-HNNXBMFYSA-N 1 0 369.263 2.983 20 5 FFBDRO CC(C)([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000542575018 517636218 /nfs/dbraw/zinc/63/62/18/517636218.db2.gz UGRNUPIZGVUDNR-UHFFFAOYSA-N 1 0 354.453 2.955 20 5 FFBDRO C[N@H+](Cc1ccccc1)C1CN(c2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000553334785 517650928 /nfs/dbraw/zinc/65/09/28/517650928.db2.gz DDMZKFYSCVZRQJ-UHFFFAOYSA-N 1 0 355.423 2.920 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H](C)[C@@H]1COc2ccccc21 ZINC000542626206 517658099 /nfs/dbraw/zinc/65/80/99/517658099.db2.gz LDCGCEGGHAMQJW-HIFRSBDPSA-N 1 0 355.394 2.996 20 5 FFBDRO CC(C)(CO)[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1cccnc1 ZINC000563137405 517687199 /nfs/dbraw/zinc/68/71/99/517687199.db2.gz DZYBRXIHBOFZHM-SFHVURJKSA-N 1 0 372.425 2.668 20 5 FFBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)CCC[N@H+](C)Cc1ccco1 ZINC000556882792 517726401 /nfs/dbraw/zinc/72/64/01/517726401.db2.gz DTCLEMLNEIPBHS-HNNXBMFYSA-N 1 0 374.441 2.969 20 5 FFBDRO CCN(C(=O)c1[nH]nc(C)c1[N+](=O)[O-])[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000521477126 517748671 /nfs/dbraw/zinc/74/86/71/517748671.db2.gz SDHYWDXZIUJTIZ-GOEBONIOSA-N 1 0 371.441 2.924 20 5 FFBDRO O=C(Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1)c1ccc([N+](=O)[O-])cc1F ZINC000557024157 517809932 /nfs/dbraw/zinc/80/99/32/517809932.db2.gz QOOAHVUIHKBLIL-OAHLLOKOSA-N 1 0 359.357 2.553 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]Cc2cccc(C(F)(F)F)n2)c1 ZINC000516862429 517877472 /nfs/dbraw/zinc/87/74/72/517877472.db2.gz BGMZLSWPMBKMMY-ZDUSSCGKSA-N 1 0 371.315 2.538 20 5 FFBDRO C[C@@H](C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])Oc1cccc(F)c1 ZINC000521862580 517879177 /nfs/dbraw/zinc/87/91/77/517879177.db2.gz FRFRDNZXNNWNBN-DZGCQCFKSA-N 1 0 364.373 2.531 20 5 FFBDRO Cc1ccc([C@@H](CC(=O)OC(C)C)[NH2+]CCn2ccc([N+](=O)[O-])n2)cc1 ZINC000543061478 517888598 /nfs/dbraw/zinc/88/85/98/517888598.db2.gz XCDSKYRGZPKYSL-MRXNPFEDSA-N 1 0 360.414 2.772 20 5 FFBDRO COc1cc(C(=O)N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)cc([N+](=O)[O-])c1C ZINC000553768746 517893327 /nfs/dbraw/zinc/89/33/27/517893327.db2.gz SZTYJEMKCCNRTC-WOSRLPQWSA-N 1 0 361.442 2.714 20 5 FFBDRO Cc1c([C@H](C)[NH2+]C[C@@H](N2CCOCC2)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000560583160 517908567 /nfs/dbraw/zinc/90/85/67/517908567.db2.gz RDQGYUNZGHPPIC-SWLSCSKDSA-N 1 0 361.364 2.817 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000553812830 517917664 /nfs/dbraw/zinc/91/76/64/517917664.db2.gz AKTOAQGFNKMENA-HZPDHXFCSA-N 1 0 363.458 2.909 20 5 FFBDRO C[C@H]([C@@H]1Cc2ccccc2O1)[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000543136557 517927094 /nfs/dbraw/zinc/92/70/94/517927094.db2.gz HNVZZXQKYIOJIL-KKVAFCGZSA-N 1 0 372.421 2.659 20 5 FFBDRO COCCSc1ccc([C@H](C)[NH2+]CCn2ccc([N+](=O)[O-])n2)cc1 ZINC000539306321 517985026 /nfs/dbraw/zinc/98/50/26/517985026.db2.gz RKVZNLIHMYOPNG-ZDUSSCGKSA-N 1 0 350.444 2.881 20 5 FFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cnn2ccccc12 ZINC000517047329 517996787 /nfs/dbraw/zinc/99/67/87/517996787.db2.gz WSQBSVGKERAFEP-CYBMUJFWSA-N 1 0 353.382 2.749 20 5 FFBDRO CC[NH+](CC)[C@H](CNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)CC(C)C ZINC000550343600 518005054 /nfs/dbraw/zinc/00/50/54/518005054.db2.gz CTDKHIYERWYNJR-AWEZNQCLSA-N 1 0 361.446 2.834 20 5 FFBDRO COc1ccc(C[NH2+]C[C@@H](O)COc2cc(C)ccc2C)cc1[N+](=O)[O-] ZINC000517186849 518051378 /nfs/dbraw/zinc/05/13/78/518051378.db2.gz IUJYOBJSTBMUBD-MRXNPFEDSA-N 1 0 360.410 2.750 20 5 FFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC(Nc2ccccn2)CC1 ZINC000534861857 518060037 /nfs/dbraw/zinc/06/00/37/518060037.db2.gz BYNNNZVBQRPEST-CQSZACIVSA-N 1 0 369.425 2.893 20 5 FFBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000554115885 518067618 /nfs/dbraw/zinc/06/76/18/518067618.db2.gz WKZNXJZVVOPNJF-QAPCUYQASA-N 1 0 360.458 2.872 20 5 FFBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCCCS1(=O)=O ZINC000543429523 518085265 /nfs/dbraw/zinc/08/52/65/518085265.db2.gz MJEWKVIAQYAGGK-BHYGNILZSA-N 1 0 366.483 2.863 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2c[nH+]ccc2-n2ccnc2)c1 ZINC000539526293 518089313 /nfs/dbraw/zinc/08/93/13/518089313.db2.gz PBCHNXBASYHXOQ-UHFFFAOYSA-N 1 0 367.365 2.892 20 5 FFBDRO CC[C@@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1c(C)nn(C)c1C ZINC000543454782 518101282 /nfs/dbraw/zinc/10/12/82/518101282.db2.gz JALJKYLRUPRCJO-MRXNPFEDSA-N 1 0 371.441 2.575 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCO[C@@H](C3CCCCC3)C2)c1 ZINC000543585132 518145958 /nfs/dbraw/zinc/14/59/58/518145958.db2.gz IEMWIDHXNWXJLH-PKOBYXMFSA-N 1 0 364.442 2.616 20 5 FFBDRO CN(C)C(=O)COc1cccc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000569622802 518209771 /nfs/dbraw/zinc/20/97/71/518209771.db2.gz JFPNLYDBOQVFJX-SFHVURJKSA-N 1 0 369.421 2.839 20 5 FFBDRO CN(C)C(=O)COc1cccc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000569622800 518210175 /nfs/dbraw/zinc/21/01/75/518210175.db2.gz JFPNLYDBOQVFJX-GOSISDBHSA-N 1 0 369.421 2.839 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c1 ZINC000581309561 518224943 /nfs/dbraw/zinc/22/49/43/518224943.db2.gz AWJOBHPPROTRRK-QAPCUYQASA-N 1 0 369.421 2.808 20 5 FFBDRO CC(C)(C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1cccs1 ZINC000578499267 518239310 /nfs/dbraw/zinc/23/93/10/518239310.db2.gz FTCVTWPDXJVFKX-ZDUSSCGKSA-N 1 0 350.440 2.963 20 5 FFBDRO CC(C)Cc1ccc([C@@H](CNC(=O)c2nn(C)cc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000581390526 518261468 /nfs/dbraw/zinc/26/14/68/518261468.db2.gz RYVNCIPQJLXWJJ-MRXNPFEDSA-N 1 0 373.457 2.560 20 5 FFBDRO O=C(CC[NH2+]C[C@@H](CCO)c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000584292049 518267318 /nfs/dbraw/zinc/26/73/18/518267318.db2.gz RHELKVQNTMVQCW-MRXNPFEDSA-N 1 0 357.410 2.679 20 5 FFBDRO Cn1cncc1[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCO1 ZINC000575941678 518354222 /nfs/dbraw/zinc/35/42/22/518354222.db2.gz GSIKUJVZNTWDKO-ANQUJSFKSA-N 1 0 374.445 2.518 20 5 FFBDRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000569972765 518382778 /nfs/dbraw/zinc/38/27/78/518382778.db2.gz UGPKBRRHSBXBSE-BAYUOZKJSA-N 1 0 369.874 2.972 20 5 FFBDRO COc1cccc(C(=O)N(C)CCC[N@H+](C)Cc2ccncc2)c1[N+](=O)[O-] ZINC000569980578 518386339 /nfs/dbraw/zinc/38/63/39/518386339.db2.gz GNZCTGIFPUYMSQ-UHFFFAOYSA-N 1 0 372.425 2.593 20 5 FFBDRO C[N@@H+]1CCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC12CCCCC2 ZINC000584538668 518388548 /nfs/dbraw/zinc/38/85/48/518388548.db2.gz XJCUOWROEDXMIN-GOSISDBHSA-N 1 0 372.469 2.650 20 5 FFBDRO C[N@@H+]1CCO[C@H]2CCN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)C[C@@H]21 ZINC000584710852 518441181 /nfs/dbraw/zinc/44/11/81/518441181.db2.gz KKIRLDYOSJRPIG-IRXDYDNUSA-N 1 0 354.410 2.566 20 5 FFBDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000570199083 518491767 /nfs/dbraw/zinc/49/17/67/518491767.db2.gz LXSBHAZCUQTRMO-QFYYESIMSA-N 1 0 371.387 2.830 20 5 FFBDRO [NH3+]CC12CCC(CC1)CN2C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000567401277 518504237 /nfs/dbraw/zinc/50/42/37/518504237.db2.gz YTTHVOVJMWMQDA-UHFFFAOYSA-N 1 0 368.231 2.701 20 5 FFBDRO CCC[N@@H+]1CCC[C@H]1CN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000570233626 518508012 /nfs/dbraw/zinc/50/80/12/518508012.db2.gz WMGGJOYAOUQXOA-ROUUACIJSA-N 1 0 357.458 2.882 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000579112005 518528591 /nfs/dbraw/zinc/52/85/91/518528591.db2.gz YLCSIUJRKFBFSI-PXAZEXFGSA-N 1 0 367.833 2.618 20 5 FFBDRO CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000576311166 518529670 /nfs/dbraw/zinc/52/96/70/518529670.db2.gz UXNGGODZYUERSZ-KRWDZBQOSA-N 1 0 361.442 2.891 20 5 FFBDRO O=C(c1ccccc1)N1CC[C@H](CN2CCc3ncc([N+](=O)[O-])cc3C2)C1 ZINC000582015251 518547907 /nfs/dbraw/zinc/54/79/07/518547907.db2.gz FQTQEVUGPRZGTA-OAHLLOKOSA-N 1 0 366.421 2.510 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CC2(c3ccccc3)CCCCC2)c1 ZINC000567554227 518580737 /nfs/dbraw/zinc/58/07/37/518580737.db2.gz GEOXGNVMOMLRFS-SFHVURJKSA-N 1 0 358.442 2.644 20 5 FFBDRO CN1CCO[C@@H]2CC[N@H+](Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)C[C@H]21 ZINC000585767620 518591091 /nfs/dbraw/zinc/59/10/91/518591091.db2.gz RBFJXEREKWLYBA-IEBWSBKVSA-N 1 0 357.410 2.760 20 5 FFBDRO CC(C)C[C@H](CN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000582137954 518606230 /nfs/dbraw/zinc/60/62/30/518606230.db2.gz NDABLOJDKGMBLD-MSOLQXFVSA-N 1 0 359.474 2.984 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@@H]2CCOC3(CCCCC3)C2)c1 ZINC000567605392 518610577 /nfs/dbraw/zinc/61/05/77/518610577.db2.gz QWEQSUFHKWEJEZ-WBVHZDCISA-N 1 0 364.442 2.806 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CCc2cccc3[nH]ccc32)c1 ZINC000567606637 518611150 /nfs/dbraw/zinc/61/11/50/518611150.db2.gz ZYGGBHXBFDYNON-MRXNPFEDSA-N 1 0 355.394 2.648 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@@H]2CCc3ccccc32)cc1 ZINC000582176587 518624212 /nfs/dbraw/zinc/62/42/12/518624212.db2.gz BIDYTMZZSKENJL-HNNXBMFYSA-N 1 0 360.435 2.688 20 5 FFBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)c1cc(F)cc2c1[nH]c1ccc(F)cc1c2=O ZINC000576519148 518631369 /nfs/dbraw/zinc/63/13/69/518631369.db2.gz DZSBVDVOHFXIOS-NXEZZACHSA-N 1 0 359.376 2.815 20 5 FFBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])C[C@@H]21 ZINC000567668008 518641492 /nfs/dbraw/zinc/64/14/92/518641492.db2.gz NVHJWRXPGOYTQA-KGYLQXTDSA-N 1 0 369.874 2.926 20 5 FFBDRO CC(C)(C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2)c1ccc([N+](=O)[O-])cc1 ZINC000567669929 518642439 /nfs/dbraw/zinc/64/24/39/518642439.db2.gz XFQVMLZYPVLECE-CQSZACIVSA-N 1 0 354.410 2.722 20 5 FFBDRO O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000586802541 518647170 /nfs/dbraw/zinc/64/71/70/518647170.db2.gz NUOKEEYHQDECJS-INIZCTEOSA-N 1 0 357.414 2.629 20 5 FFBDRO Cc1ccc2c(c1C)OC[C@@H]2[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000567679019 518648768 /nfs/dbraw/zinc/64/87/68/518648768.db2.gz IEWOYNYRXFCXGO-HOCLYGCPSA-N 1 0 358.394 2.675 20 5 FFBDRO COc1cccc(C[C@@H](C)[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000564856968 518657456 /nfs/dbraw/zinc/65/74/56/518657456.db2.gz PIYPJJVEEGEYLZ-RHSMWYFYSA-N 1 0 360.410 2.564 20 5 FFBDRO CCOc1ccc(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])cc1F ZINC000573437781 518663618 /nfs/dbraw/zinc/66/36/18/518663618.db2.gz KMYJYNNIRQYTCL-AWEZNQCLSA-N 1 0 364.373 2.662 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@@H]2SCCc3ccccc32)c1 ZINC000567725715 518677034 /nfs/dbraw/zinc/67/70/34/518677034.db2.gz GQBWNBPQEHFDRY-APWZRJJASA-N 1 0 374.462 2.955 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@H]2SCCc3ccccc32)c1 ZINC000567725718 518677587 /nfs/dbraw/zinc/67/75/87/518677587.db2.gz GQBWNBPQEHFDRY-VQIMIIECSA-N 1 0 374.462 2.955 20 5 FFBDRO C[NH+](C)[C@H](CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000582325020 518697115 /nfs/dbraw/zinc/69/71/15/518697115.db2.gz QQNYDBNBVVGKFF-CYBMUJFWSA-N 1 0 357.863 2.797 20 5 FFBDRO CO[C@]1(C)CCC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1 ZINC000579488743 518706676 /nfs/dbraw/zinc/70/66/76/518706676.db2.gz ARIFUHLARYPFDM-GOSISDBHSA-N 1 0 363.414 2.784 20 5 FFBDRO CC(=O)Nc1ccc(CC[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000576696844 518717384 /nfs/dbraw/zinc/71/73/84/518717384.db2.gz TUVCLIWMNJZRIB-UHFFFAOYSA-N 1 0 370.409 2.714 20 5 FFBDRO [NH3+]CCC[C@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccccc1 ZINC000570675304 518726175 /nfs/dbraw/zinc/72/61/75/518726175.db2.gz FLGAHVGTVDCNJF-AWEZNQCLSA-N 1 0 357.366 2.534 20 5 FFBDRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000570706291 518740075 /nfs/dbraw/zinc/74/00/75/518740075.db2.gz FUWQBTZIUCGWGE-GJZGRUSLSA-N 1 0 350.438 2.729 20 5 FFBDRO CCCN(CC[NH+]1CCCCCC1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000582443914 518754642 /nfs/dbraw/zinc/75/46/42/518754642.db2.gz JQAYWVUPXGLIEU-UHFFFAOYSA-N 1 0 362.474 2.782 20 5 FFBDRO CC[C@@H](C)[NH2+][C@H](CNC(=O)COc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000588766089 518824395 /nfs/dbraw/zinc/82/43/95/518824395.db2.gz FHGQHOUTKHLRPW-ZIAGYGMSSA-N 1 0 361.398 2.812 20 5 FFBDRO COc1ccc(C(=O)N[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000568011345 518830304 /nfs/dbraw/zinc/83/03/04/518830304.db2.gz KRGYYRBKQUGOSU-FQEVSTJZSA-N 1 0 369.421 2.998 20 5 FFBDRO CCN(CC[NH+]1CCCCCC1)C(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000579747578 518834162 /nfs/dbraw/zinc/83/41/62/518834162.db2.gz UMGYQGGQTOYHEJ-UHFFFAOYSA-N 1 0 363.458 2.870 20 5 FFBDRO CCCC[N@H+](C)C[C@H](C)Nc1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000588866103 518852356 /nfs/dbraw/zinc/85/23/56/518852356.db2.gz MDCZMRYOZOWBSC-INIZCTEOSA-N 1 0 364.490 2.959 20 5 FFBDRO Cc1cccc2c1CC[C@H]2[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000570974621 518867904 /nfs/dbraw/zinc/86/79/04/518867904.db2.gz PJUMSLWVJRMTJA-GOSISDBHSA-N 1 0 360.435 2.954 20 5 FFBDRO CC(C)C[C@@H](C[NH3+])NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000571073679 518914118 /nfs/dbraw/zinc/91/41/18/518914118.db2.gz COMNTLRSURYBLM-JTQLQIEISA-N 1 0 363.336 2.639 20 5 FFBDRO O=[N+]([O-])c1cncc(Cl)c1N1CCN(CCOc2ccccc2)CC1 ZINC000589104452 518915867 /nfs/dbraw/zinc/91/58/67/518915867.db2.gz YLZKEPOGQJIECP-UHFFFAOYSA-N 1 0 362.817 2.844 20 5 FFBDRO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CC[C@@](CO)(c3ccccc3)C1)OCCO2 ZINC000589737664 519074181 /nfs/dbraw/zinc/07/41/81/519074181.db2.gz OTPCIJHSGJPTNB-HXUWFJFHSA-N 1 0 370.405 2.502 20 5 FFBDRO CN(CCC[NH+]1CCCC1)C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000577434909 519078517 /nfs/dbraw/zinc/07/85/17/519078517.db2.gz KOEJXGLKNWKGPM-UHFFFAOYSA-N 1 0 373.457 2.746 20 5 FFBDRO CCn1c(C)nc([N+](=O)[O-])c1NCC1([NH+]2CCCCC2)CCOCC1 ZINC000580248906 519078848 /nfs/dbraw/zinc/07/88/48/519078848.db2.gz POHZDVDGJXPVEZ-UHFFFAOYSA-N 1 0 351.451 2.567 20 5 FFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000577446152 519080387 /nfs/dbraw/zinc/08/03/87/519080387.db2.gz GIJAIOMIQYFMHV-KBPBESRZSA-N 1 0 364.446 2.778 20 5 FFBDRO COc1cc(C[NH2+][C@H]2CC[C@](O)(C(F)(F)F)C2)c([N+](=O)[O-])cc1OC ZINC000589938998 519109194 /nfs/dbraw/zinc/10/91/94/519109194.db2.gz LSHZEVYOQMWUPW-IINYFYTJSA-N 1 0 364.320 2.548 20 5 FFBDRO C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000590390353 519211716 /nfs/dbraw/zinc/21/17/16/519211716.db2.gz YJELZTQGNQOZQT-GFCCVEGCSA-N 1 0 367.833 2.574 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N3CC[C@H]([NH3+])C[C@H]3C)cc2[N+](=O)[O-])C1 ZINC000574615864 519241941 /nfs/dbraw/zinc/24/19/41/519241941.db2.gz CCRWVFPUHRYLQS-FMKPAKJESA-N 1 0 360.458 2.783 20 5 FFBDRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000590535928 519257948 /nfs/dbraw/zinc/25/79/48/519257948.db2.gz AZYUZOLQBOQCKE-UKRRQHHQSA-N 1 0 360.439 2.931 20 5 FFBDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000568879862 519264382 /nfs/dbraw/zinc/26/43/82/519264382.db2.gz SFLDXRODHOIKQY-BMLIUANNSA-N 1 0 371.387 2.687 20 5 FFBDRO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@@H](c1ccccc1)N(C)C ZINC000574686175 519281716 /nfs/dbraw/zinc/28/17/16/519281716.db2.gz KLRZEZRBFBWTDP-VPWXQRGCSA-N 1 0 373.453 2.616 20 5 FFBDRO CC(C)(C(=O)NC[C@H]1[NH2+]CCc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000566101974 519299714 /nfs/dbraw/zinc/29/97/14/519299714.db2.gz BKPJOVWQAJEOGF-GOSISDBHSA-N 1 0 353.422 2.876 20 5 FFBDRO C[C@H]1CCCN(c2ccc(C(=O)N[C@H](CC[NH3+])C(F)F)cc2[N+](=O)[O-])C1 ZINC000566215076 519373509 /nfs/dbraw/zinc/37/35/09/519373509.db2.gz UECXXYAZEAIVKZ-WCQYABFASA-N 1 0 370.400 2.543 20 5 FFBDRO C[C@H]1CCCN(c2ccc(C(=O)N[C@@H](CC[NH3+])C(F)F)cc2[N+](=O)[O-])C1 ZINC000566215074 519373840 /nfs/dbraw/zinc/37/38/40/519373840.db2.gz UECXXYAZEAIVKZ-AAEUAGOBSA-N 1 0 370.400 2.543 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC(C)(C)OCC1(C)C ZINC000591014734 519476514 /nfs/dbraw/zinc/47/65/14/519476514.db2.gz ITIZZXUZISOPIN-UHFFFAOYSA-N 1 0 365.430 2.821 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000591299705 519580011 /nfs/dbraw/zinc/58/00/11/519580011.db2.gz YVEJQCAKWLZDSC-UONOGXRCSA-N 1 0 362.430 2.847 20 5 FFBDRO Cc1ccccc1O[C@@H](C)C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000572393399 519593415 /nfs/dbraw/zinc/59/34/15/519593415.db2.gz IHGIGFIKDDGNHM-JKSUJKDBSA-N 1 0 360.410 2.700 20 5 FFBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)c1nc([C@H]([NH3+])CC(C)C)no1 ZINC000584112912 519597875 /nfs/dbraw/zinc/59/78/75/519597875.db2.gz QKORWJAQZNKOPU-GHMZBOCLSA-N 1 0 351.411 2.629 20 5 FFBDRO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000591357241 519607115 /nfs/dbraw/zinc/60/71/15/519607115.db2.gz SNAFJLUAPNFQEK-SMDDNHRTSA-N 1 0 372.347 2.507 20 5 FFBDRO Cc1c(CNC(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000591357058 519607437 /nfs/dbraw/zinc/60/74/37/519607437.db2.gz OZAFBQYCRGMTQJ-IAGOWNOFSA-N 1 0 360.458 2.824 20 5 FFBDRO Cc1c(CNC(=O)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000591357059 519607576 /nfs/dbraw/zinc/60/75/76/519607576.db2.gz OZAFBQYCRGMTQJ-IRXDYDNUSA-N 1 0 360.458 2.824 20 5 FFBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000591356113 519607798 /nfs/dbraw/zinc/60/77/98/519607798.db2.gz NULWUQBYEFSACG-IRXDYDNUSA-N 1 0 360.458 2.559 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H](O)[C@@H]1CCc1ccccc1 ZINC000602851525 519923835 /nfs/dbraw/zinc/92/38/35/519923835.db2.gz LOIRZUISEHHLNW-ROUUACIJSA-N 1 0 358.442 2.558 20 5 FFBDRO C[N@@H+]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C(C)(C)C ZINC000602873292 519939813 /nfs/dbraw/zinc/93/98/13/519939813.db2.gz IRTUKFUYIYAXQI-HNNXBMFYSA-N 1 0 368.865 2.849 20 5 FFBDRO O=C(N[C@H]1CC[NH2+]C12CCC2)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000599928517 519955850 /nfs/dbraw/zinc/95/58/50/519955850.db2.gz NWZGFEOYJUTGKC-WBVHZDCISA-N 1 0 358.442 2.768 20 5 FFBDRO C[C@](CO)([NH2+]CCOCC(F)(F)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000602963679 519996539 /nfs/dbraw/zinc/99/65/39/519996539.db2.gz YKECHOCMNOXQIA-GFCCVEGCSA-N 1 0 372.290 2.606 20 5 FFBDRO COc1ccc(COCC[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)cc1 ZINC000602965971 519997232 /nfs/dbraw/zinc/99/72/32/519997232.db2.gz SUEZIUMTFXAOMM-LJQANCHMSA-N 1 0 360.410 2.617 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000591684116 519997380 /nfs/dbraw/zinc/99/73/80/519997380.db2.gz BZJYZHHYTOPKIZ-BQVMBELUSA-N 1 0 355.822 2.518 20 5 FFBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1CC12CC[NH2+]CC2 ZINC000591685508 519997873 /nfs/dbraw/zinc/99/78/73/519997873.db2.gz FIOJDXPQKRLHIK-ZDUSSCGKSA-N 1 0 355.847 2.599 20 5 FFBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000612529003 520005782 /nfs/dbraw/zinc/00/57/82/520005782.db2.gz YKFHWQRAIJKLBZ-WDEREUQCSA-N 1 0 357.332 2.970 20 5 FFBDRO CN1CC[NH+](CC2(C)CCN(Cc3c(F)cccc3[N+](=O)[O-])CC2)CC1 ZINC000612535873 520008139 /nfs/dbraw/zinc/00/81/39/520008139.db2.gz PXNRHKRXNOPWMZ-UHFFFAOYSA-N 1 0 364.465 2.583 20 5 FFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCCN2CCCC[C@H]12 ZINC000594519479 520011970 /nfs/dbraw/zinc/01/19/70/520011970.db2.gz LCTQOTRKDXYKMO-FHLIZLRMSA-N 1 0 360.458 2.918 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](O)[C@H]2CCCC[C@H]21 ZINC000602997284 520013346 /nfs/dbraw/zinc/01/33/46/520013346.db2.gz HBIBDXLGRJJDST-JQHSSLGASA-N 1 0 361.442 2.857 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@@H]1COc2c1cccc2Cl ZINC000591753829 520022503 /nfs/dbraw/zinc/02/25/03/520022503.db2.gz LZNVXRSJKZPOHC-SMDDNHRTSA-N 1 0 364.785 2.711 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@H]1COc2c1cccc2Cl ZINC000591753827 520022900 /nfs/dbraw/zinc/02/29/00/520022900.db2.gz LZNVXRSJKZPOHC-FZMZJTMJSA-N 1 0 364.785 2.711 20 5 FFBDRO COc1ccc(-c2ccc(CN[C@@H](C[NH3+])C(F)(F)F)o2)c([N+](=O)[O-])c1 ZINC000594581113 520037929 /nfs/dbraw/zinc/03/79/29/520037929.db2.gz PYBXSNXRPAKMJS-AWEZNQCLSA-N 1 0 359.304 2.843 20 5 FFBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(C[NH+](C)C)ccn1 ZINC000603148789 520110877 /nfs/dbraw/zinc/11/08/77/520110877.db2.gz RCWBKOJROLTRSA-UHFFFAOYSA-N 1 0 357.414 2.758 20 5 FFBDRO COC(=O)[C@@]1(OC)CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000600192541 520112262 /nfs/dbraw/zinc/11/22/62/520112262.db2.gz QNNDQVUOVRURLM-GOSISDBHSA-N 1 0 360.366 2.619 20 5 FFBDRO Cc1cc(N2CCOC3(CC[NH+](C)CC3)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000591992105 520125810 /nfs/dbraw/zinc/12/58/10/520125810.db2.gz OCHJEPHBMKFLGQ-UHFFFAOYSA-N 1 0 356.426 2.752 20 5 FFBDRO O=[N+]([O-])c1ccc(NC2CC[NH+]([C@@H]3CCOC3)CC2)c(OC(F)F)c1 ZINC000612789642 520148012 /nfs/dbraw/zinc/14/80/12/520148012.db2.gz VEZAFUHKHBLNEQ-CYBMUJFWSA-N 1 0 357.357 2.861 20 5 FFBDRO CC[N@H+](C)[C@H](C(=O)NCCNc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000609029692 520181157 /nfs/dbraw/zinc/18/11/57/520181157.db2.gz WHMNOLJMWHJBMO-SFHVURJKSA-N 1 0 356.426 2.816 20 5 FFBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000597701617 520186684 /nfs/dbraw/zinc/18/66/84/520186684.db2.gz VGSLCVZNCYQVHB-RDJZCZTQSA-N 1 0 374.485 2.996 20 5 FFBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000597701621 520187013 /nfs/dbraw/zinc/18/70/13/520187013.db2.gz VHCAWRBYEBJWCH-NOZJJQNGSA-N 1 0 356.220 2.522 20 5 FFBDRO COc1cc(C[NH2+]C[C@@H]2C[C@H](c3ccccc3)CO2)c([N+](=O)[O-])cc1O ZINC000594974625 520236565 /nfs/dbraw/zinc/23/65/65/520236565.db2.gz CCLIKAXGQIVJMW-HOTGVXAUSA-N 1 0 358.394 2.971 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCCO[C@H](c3ccccc3)C2)c1 ZINC000609233548 520240086 /nfs/dbraw/zinc/24/00/86/520240086.db2.gz GJBNUVJJLIMQHN-ICSRJNTNSA-N 1 0 372.421 2.798 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H](C(C)C)C1(CO)CC=CC1 ZINC000592178251 520248134 /nfs/dbraw/zinc/24/81/34/520248134.db2.gz PRRLDKUWBLCEFE-SFHVURJKSA-N 1 0 361.442 2.785 20 5 FFBDRO CN(CCCC[NH+]1CCCCC1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000603417342 520256801 /nfs/dbraw/zinc/25/68/01/520256801.db2.gz GBGBVEMOQBHQNQ-UHFFFAOYSA-N 1 0 369.487 2.623 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCNC(=O)c1ccc(C)cc1 ZINC000595015775 520256904 /nfs/dbraw/zinc/25/69/04/520256904.db2.gz HASOUUOFLWDMQB-CQSZACIVSA-N 1 0 357.410 2.992 20 5 FFBDRO Cn1cc(CN2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)c([N+](=O)[O-])n1 ZINC000603430723 520261835 /nfs/dbraw/zinc/26/18/35/520261835.db2.gz UNWHSWCAZYANGC-FUHWJXTLSA-N 1 0 357.458 2.500 20 5 FFBDRO O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000600469787 520279949 /nfs/dbraw/zinc/27/99/49/520279949.db2.gz KFQSEJDOZJAHIA-INIZCTEOSA-N 1 0 369.425 2.527 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N3CC[C@@H]4CC[NH2+][C@@H]4C3)cc2[N+](=O)[O-])C1 ZINC000592248795 520291569 /nfs/dbraw/zinc/29/15/69/520291569.db2.gz UXFBUYYMMLAXSA-HLLBOEOZSA-N 1 0 372.469 2.655 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCN1C[C@@H]2CCCCN2C1=O ZINC000595098642 520293434 /nfs/dbraw/zinc/29/34/34/520293434.db2.gz DFGLWAUGCMLNQM-HIFRSBDPSA-N 1 0 362.430 2.544 20 5 FFBDRO Cc1cc(C(=O)NCC2CC[NH+](C3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000597879361 520301294 /nfs/dbraw/zinc/30/12/94/520301294.db2.gz ZKACPBYWNTXRPD-UHFFFAOYSA-N 1 0 361.442 2.524 20 5 FFBDRO CC[NH+](CC)[C@@H](CNC(=O)c1cc([N+](=O)[O-])cn1C)Cc1ccccc1 ZINC000603635637 520334728 /nfs/dbraw/zinc/33/47/28/520334728.db2.gz WXCKNHROWAJXEZ-MRXNPFEDSA-N 1 0 358.442 2.616 20 5 FFBDRO CC[C@@H]1CN(C(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000592331946 520339462 /nfs/dbraw/zinc/33/94/62/520339462.db2.gz CWKOYDZYFSTGTI-ZYHUDNBSSA-N 1 0 353.444 2.525 20 5 FFBDRO C[N@H+](CCNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)C1CCCCC1 ZINC000609547519 520353713 /nfs/dbraw/zinc/35/37/13/520353713.db2.gz BEXNKDSBERBUTC-UHFFFAOYSA-N 1 0 372.425 2.843 20 5 FFBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N(c1ccccc1)C1CC[NH+](C)CC1 ZINC000609566714 520357884 /nfs/dbraw/zinc/35/78/84/520357884.db2.gz GJNZTCZSMYBEMP-UHFFFAOYSA-N 1 0 371.441 2.617 20 5 FFBDRO C[C@@H](CCNC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1)[NH+](C)C ZINC000597994573 520366108 /nfs/dbraw/zinc/36/61/08/520366108.db2.gz BVKIULRLRIEXON-CABCVRRESA-N 1 0 362.474 2.901 20 5 FFBDRO C[C@@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)C1CC[NH+](C)CC1 ZINC000609583788 520367156 /nfs/dbraw/zinc/36/71/56/520367156.db2.gz VOWVDQKZTKWTCL-OAHLLOKOSA-N 1 0 374.485 2.658 20 5 FFBDRO C[C@@H]1C[NH+](C[C@H]2CCCN2Cc2ccc(F)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000595294909 520392432 /nfs/dbraw/zinc/39/24/32/520392432.db2.gz UPZMZDSDCGQORJ-CKEIUWERSA-N 1 0 351.422 2.808 20 5 FFBDRO C[C@H](CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)[N@@H+]1CCC[C@@H](C)C1 ZINC000603895040 520393973 /nfs/dbraw/zinc/39/39/73/520393973.db2.gz JAHANGZZVCXIMP-HUUCEWRRSA-N 1 0 371.441 2.631 20 5 FFBDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000609664480 520399829 /nfs/dbraw/zinc/39/98/29/520399829.db2.gz JJOQGSMHQCKCTC-INIZCTEOSA-N 1 0 374.485 2.611 20 5 FFBDRO COc1cccc([C@@H](C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])OC)c1 ZINC000600747465 520444925 /nfs/dbraw/zinc/44/49/25/520444925.db2.gz XONIATSQXMWPRY-GOSISDBHSA-N 1 0 373.409 2.909 20 5 FFBDRO CC[C@@H]1CN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000592544981 520452059 /nfs/dbraw/zinc/45/20/59/520452059.db2.gz LFXLCLRLZXGADC-ZYHUDNBSSA-N 1 0 357.863 2.926 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000592552680 520454404 /nfs/dbraw/zinc/45/44/04/520454404.db2.gz MVHBOVXIQIRJQP-AVGNSLFASA-N 1 0 369.849 2.897 20 5 FFBDRO O=C(N[C@@H]1CC[NH2+]C2(CCC2)C1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000592567591 520458688 /nfs/dbraw/zinc/45/86/88/520458688.db2.gz DHFQVZOGDLSKDM-MRXNPFEDSA-N 1 0 372.469 2.602 20 5 FFBDRO COc1ccc(CC(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000598220050 520501157 /nfs/dbraw/zinc/50/11/57/520501157.db2.gz OMBHTAIGIYBMGZ-OAHLLOKOSA-N 1 0 361.442 2.669 20 5 FFBDRO Cc1c(NC(=O)[C@H](C)N2CCC[C@]3(CC[N@H+](C)C3)C2)cccc1[N+](=O)[O-] ZINC000595505526 520515463 /nfs/dbraw/zinc/51/54/63/520515463.db2.gz VOGAPSXVLLCXER-HNAYVOBHSA-N 1 0 360.458 2.648 20 5 FFBDRO CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000598341600 520564645 /nfs/dbraw/zinc/56/46/45/520564645.db2.gz DLQOANIIEYDNCN-DGCLKSJQSA-N 1 0 355.822 2.616 20 5 FFBDRO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000601132596 520652305 /nfs/dbraw/zinc/65/23/05/520652305.db2.gz KHESSUQUQOAREJ-PWSUYJOCSA-N 1 0 373.379 2.800 20 5 FFBDRO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CCC(CCC[NH+](C)C)CC1 ZINC000601136079 520654364 /nfs/dbraw/zinc/65/43/64/520654364.db2.gz NKBQFRPHYBXRJT-UHFFFAOYSA-N 1 0 363.384 2.905 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[NH2+]C23CCCC3)cc1SC ZINC000592953193 520658934 /nfs/dbraw/zinc/65/89/34/520658934.db2.gz RQBGJMWUGCWCMV-OAHLLOKOSA-N 1 0 365.455 2.730 20 5 FFBDRO CCOc1ccc(C[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000601148604 520659747 /nfs/dbraw/zinc/65/97/47/520659747.db2.gz FAICQRUMRSCMQX-LJQANCHMSA-N 1 0 360.410 2.999 20 5 FFBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]Cc1cccc3c1CCOC3)OCCO2 ZINC000601155308 520663481 /nfs/dbraw/zinc/66/34/81/520663481.db2.gz GRMYSBYLXHJHIR-UHFFFAOYSA-N 1 0 356.378 2.729 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H]2Cc3ccccc3[C@@H]2OC)c1 ZINC000593034658 520696381 /nfs/dbraw/zinc/69/63/81/520696381.db2.gz QJNRXKAPEFIUSK-AEFFLSMTSA-N 1 0 356.378 2.783 20 5 FFBDRO C[C@@]1(c2cccc(F)c2)CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000593040944 520702243 /nfs/dbraw/zinc/70/22/43/520702243.db2.gz OSNCJEDWZSJLCQ-LJQANCHMSA-N 1 0 357.385 2.996 20 5 FFBDRO C[C@]1(c2cccc(F)c2)CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000593040942 520702327 /nfs/dbraw/zinc/70/23/27/520702327.db2.gz OSNCJEDWZSJLCQ-IBGZPJMESA-N 1 0 357.385 2.996 20 5 FFBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000598560450 520705355 /nfs/dbraw/zinc/70/53/55/520705355.db2.gz MGMZWRDRQQIHGL-HNNXBMFYSA-N 1 0 370.453 2.857 20 5 FFBDRO Cn1cc(C[C@H]2CCC[C@@H]2[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)cn1 ZINC000595772432 520713682 /nfs/dbraw/zinc/71/36/82/520713682.db2.gz SSIRWKCVNDLLFC-HIFRSBDPSA-N 1 0 355.398 2.971 20 5 FFBDRO CC[C@H]1C[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)[C@@H](CC)CO1 ZINC000593059754 520714913 /nfs/dbraw/zinc/71/49/13/520714913.db2.gz TWSGEXDKMJPDQE-ZFWWWQNUSA-N 1 0 363.414 2.782 20 5 FFBDRO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000610523059 520727251 /nfs/dbraw/zinc/72/72/51/520727251.db2.gz DQGVXZYSYMSKJP-HNNXBMFYSA-N 1 0 368.437 2.914 20 5 FFBDRO COC(=O)c1ccnc(NC[C@@H](C2CCCCC2)[NH+](C)C)c1[N+](=O)[O-] ZINC000598588639 520727924 /nfs/dbraw/zinc/72/79/24/520727924.db2.gz AGYJUTRULATLRG-AWEZNQCLSA-N 1 0 350.419 2.699 20 5 FFBDRO C[C@H]1C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCc2ccccc21 ZINC000593089822 520737725 /nfs/dbraw/zinc/73/77/25/520737725.db2.gz FNPKDMTXTORGOH-DOTOQJQBSA-N 1 0 356.422 2.996 20 5 FFBDRO COC(=O)c1ccnc(N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1[N+](=O)[O-] ZINC000598610157 520740818 /nfs/dbraw/zinc/74/08/18/520740818.db2.gz DZPRIRXFFFXPDS-CHWSQXEVSA-N 1 0 362.430 2.841 20 5 FFBDRO C[C@@H]1[C@H](C)N(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)[C@@H](C)C[N@@H+]1C ZINC000593187557 520810691 /nfs/dbraw/zinc/81/06/91/520810691.db2.gz LSZIVBFEAFPINF-XHSDSOJGSA-N 1 0 374.485 2.751 20 5 FFBDRO Cc1cc(S(=O)(=O)N2CCC(C)([NH+]3CCCC3)CC2)c([N+](=O)[O-])s1 ZINC000601497481 520814163 /nfs/dbraw/zinc/81/41/63/520814163.db2.gz YENYBVNGXWBAHV-UHFFFAOYSA-N 1 0 373.500 2.604 20 5 FFBDRO COc1cc(CN(C)[C@H](C[NH3+])C(F)(F)F)c([N+](=O)[O-])cc1OC(F)F ZINC000595909851 520815734 /nfs/dbraw/zinc/81/57/34/520815734.db2.gz TWFPMIIACLTDFR-LLVKDONJSA-N 1 0 373.278 2.526 20 5 FFBDRO [NH3+]C1(CNC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])CCCC1 ZINC000595940804 520834589 /nfs/dbraw/zinc/83/45/89/520834589.db2.gz HUYUAPJAFFKSEQ-UHFFFAOYSA-N 1 0 361.320 2.537 20 5 FFBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NCC34CC(C3)C[NH2+]4)cc2[N+](=O)[O-])C1 ZINC000595951750 520836184 /nfs/dbraw/zinc/83/61/84/520836184.db2.gz QSTYFXCCBRNHRD-FXTZWWGYSA-N 1 0 372.469 2.559 20 5 FFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595962332 520839937 /nfs/dbraw/zinc/83/99/37/520839937.db2.gz PEZXQZDNBLEWCQ-HNNXBMFYSA-N 1 0 361.442 2.845 20 5 FFBDRO C[C@@H](Nc1ccc(C(=O)N[C@]2(C)CC[NH2+]C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000595992484 520847668 /nfs/dbraw/zinc/84/76/68/520847668.db2.gz SGXRGHYLIXZSOR-BFUOFWGJSA-N 1 0 369.425 2.645 20 5 FFBDRO C[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)[C@H]1CC[NH3+] ZINC000596015141 520859268 /nfs/dbraw/zinc/85/92/68/520859268.db2.gz YXAHNWQGQJXAIM-KGLIPLIRSA-N 1 0 366.437 2.524 20 5 FFBDRO CC(C)[C@H](O)[C@@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000596065712 520889952 /nfs/dbraw/zinc/88/99/52/520889952.db2.gz KVGJZYRPBWMKDO-IHPCNDPISA-N 1 0 374.437 2.682 20 5 FFBDRO CC(C)[C@H](O)[C@@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000596065711 520890012 /nfs/dbraw/zinc/89/00/12/520890012.db2.gz KVGJZYRPBWMKDO-HOJAQTOUSA-N 1 0 374.437 2.682 20 5 FFBDRO CC(C)[NH2+][C@H]1CCCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000610913349 520902407 /nfs/dbraw/zinc/90/24/07/520902407.db2.gz MFGVRUJQYDWNDW-ZDUSSCGKSA-N 1 0 370.247 2.960 20 5 FFBDRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(c2c(Cl)cncc2[N+](=O)[O-])CC1 ZINC000596097246 520908918 /nfs/dbraw/zinc/90/89/18/520908918.db2.gz DDAPGJJWZOTWPT-OKILXGFUSA-N 1 0 367.881 2.638 20 5 FFBDRO CC(C)c1ncc2c(n1)CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C2 ZINC000598938288 520931195 /nfs/dbraw/zinc/93/11/95/520931195.db2.gz YKICSWHROBLNMH-UHFFFAOYSA-N 1 0 369.425 2.895 20 5 FFBDRO C[NH+]1CCC(n2cc(NC(=O)c3c(Cl)cccc3[N+](=O)[O-])cn2)CC1 ZINC000601777586 520946829 /nfs/dbraw/zinc/94/68/29/520946829.db2.gz UCWFJPWYKNKPBW-UHFFFAOYSA-N 1 0 363.805 2.964 20 5 FFBDRO CC[NH+](CC)CCCNC(=O)c1cccc(Cn2nc([N+](=O)[O-])cc2C)c1 ZINC000593383110 520955499 /nfs/dbraw/zinc/95/54/99/520955499.db2.gz AGOWPYZQQGJMAD-UHFFFAOYSA-N 1 0 373.457 2.610 20 5 FFBDRO COC(=O)C1CC[NH+](CCCNc2ccc3cnccc3c2[N+](=O)[O-])CC1 ZINC000599019420 520984195 /nfs/dbraw/zinc/98/41/95/520984195.db2.gz JYFUKCARPDGQNV-UHFFFAOYSA-N 1 0 372.425 2.830 20 5 FFBDRO C[N@@H+]1CCCC[C@H](CNC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000599024008 520987381 /nfs/dbraw/zinc/98/73/81/520987381.db2.gz FKDUUSYOMMXQPZ-CYBMUJFWSA-N 1 0 368.865 2.822 20 5 FFBDRO O=[N+]([O-])c1ccc(OCCC[NH2+][C@H]2CCCC[C@H]2N2CCOCC2)cc1 ZINC000618308113 520990574 /nfs/dbraw/zinc/99/05/74/520990574.db2.gz SLHAUCBWAHWWBN-RBUKOAKNSA-N 1 0 363.458 2.597 20 5 FFBDRO Cn1ncc(C(F)(F)F)c1C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000599061839 521006593 /nfs/dbraw/zinc/00/65/93/521006593.db2.gz SJTORSDGOPTBLM-NWDGAFQWSA-N 1 0 372.351 2.817 20 5 FFBDRO COc1cc(N2CCOC3(CC[NH+](C)CC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596291411 521010670 /nfs/dbraw/zinc/01/06/70/521010670.db2.gz ISKDTAGDCIQILJ-UHFFFAOYSA-N 1 0 355.822 2.558 20 5 FFBDRO CC[C@@H]([NH2+]C[C@@H]1CN(Cc2ccncc2)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000599088374 521024429 /nfs/dbraw/zinc/02/44/29/521024429.db2.gz QMJZTOHMDLAVSO-WOJBJXKFSA-N 1 0 370.453 2.932 20 5 FFBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CN(Cc3ccncc3)CCO2)cc1[N+](=O)[O-] ZINC000599086953 521024496 /nfs/dbraw/zinc/02/44/96/521024496.db2.gz CXTKXNATZUHIOF-APWZRJJASA-N 1 0 370.453 2.850 20 5 FFBDRO Cc1cnc(N2CCO[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]32)c([N+](=O)[O-])c1 ZINC000593495818 521031714 /nfs/dbraw/zinc/03/17/14/521031714.db2.gz JWBDBRXAJQZSQV-OALUTQOASA-N 1 0 368.437 2.778 20 5 FFBDRO CS(=O)(=O)c1ccc(NC[C@@H]2CCN2C2CCCCC2)c([N+](=O)[O-])c1 ZINC000599125885 521042826 /nfs/dbraw/zinc/04/28/26/521042826.db2.gz FBTONDSCWBNFHQ-AWEZNQCLSA-N 1 0 367.471 2.817 20 5 FFBDRO COc1cc(C[N@@H+]2CCc3ccc(O)cc3CC2)c([N+](=O)[O-])cc1OC ZINC000611266576 521065367 /nfs/dbraw/zinc/06/53/67/521065367.db2.gz BXNXUPJHYQNJFX-UHFFFAOYSA-N 1 0 358.394 2.918 20 5 FFBDRO C[C@H](CCNc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl)[NH+](C)C ZINC000596431066 521069225 /nfs/dbraw/zinc/06/92/25/521069225.db2.gz MMCCZAFUUSYMFT-LLVKDONJSA-N 1 0 365.821 2.546 20 5 FFBDRO Cn1ccnc1[C@@H](N[C@H]1CC[NH2+]CC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000602019707 521080817 /nfs/dbraw/zinc/08/08/17/521080817.db2.gz GGGXVWHLYIFEHT-RDJZCZTQSA-N 1 0 357.458 2.786 20 5 FFBDRO COC(=O)COc1ccc(C[N@@H+]2CCC[C@@H](OC(C)C)C2)cc1[N+](=O)[O-] ZINC000593658970 521136133 /nfs/dbraw/zinc/13/61/33/521136133.db2.gz JTJWZDWDXRRODB-OAHLLOKOSA-N 1 0 366.414 2.536 20 5 FFBDRO C[NH2+]Cc1ccccc1CNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000593717462 521172618 /nfs/dbraw/zinc/17/26/18/521172618.db2.gz ILPCSMOOTJVBFE-UHFFFAOYSA-N 1 0 356.426 2.698 20 5 FFBDRO O=C(N[C@H]1C[C@@H]([NH+]2CCCC2)C1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000602168162 521183426 /nfs/dbraw/zinc/18/34/26/521183426.db2.gz UZSNUVXOBQNSBS-TXEJJXNPSA-N 1 0 368.231 2.714 20 5 FFBDRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3)C2)C1 ZINC000593912373 521287831 /nfs/dbraw/zinc/28/78/31/521287831.db2.gz MFIWEXNDOCMSBG-XFJVYGCCSA-N 1 0 367.833 2.607 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H](c2ccccn2)C2CCC2)c1 ZINC000599569132 521304768 /nfs/dbraw/zinc/30/47/68/521304768.db2.gz LHNJNLVIXDWIPH-APWZRJJASA-N 1 0 357.410 2.861 20 5 FFBDRO CCOc1cc(CN2CCC(C)([NH+]3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000599623795 521339408 /nfs/dbraw/zinc/33/94/08/521339408.db2.gz XIBNCCABDFGWTP-UHFFFAOYSA-N 1 0 363.458 2.680 20 5 FFBDRO CCC1([NH+]2CCOCC2)CCN(Cc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000599670452 521385951 /nfs/dbraw/zinc/38/59/51/521385951.db2.gz WEBRJDSAZVPDOM-UHFFFAOYSA-N 1 0 363.458 2.680 20 5 FFBDRO C[C@@H]1CN(C(C)(C)C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@H](C)O1 ZINC000602508154 521386050 /nfs/dbraw/zinc/38/60/50/521386050.db2.gz UDGYVAPKBNBALC-CHWSQXEVSA-N 1 0 362.430 2.713 20 5 FFBDRO C[C@@H]1CN(c2ccc(C[NH2+]CCc3ccc([N+](=O)[O-])cc3)cn2)C[C@@H](C)O1 ZINC000602516223 521390348 /nfs/dbraw/zinc/39/03/48/521390348.db2.gz WJORXQLUSMRJML-HZPDHXFCSA-N 1 0 370.453 2.936 20 5 FFBDRO CC(C)COC[C@@H](O)C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602522769 521394952 /nfs/dbraw/zinc/39/49/52/521394952.db2.gz GIVPKKQRHZYOFO-VIFPVBQESA-N 1 0 367.265 2.542 20 5 FFBDRO C[C@H](c1ccccc1)[C@H](CO)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602547488 521406320 /nfs/dbraw/zinc/40/63/20/521406320.db2.gz PSTFYPZKPDXVFC-BEFAXECRSA-N 1 0 370.453 2.713 20 5 FFBDRO [NH3+][C@@H]1CCCCCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000602578809 521421758 /nfs/dbraw/zinc/42/17/58/521421758.db2.gz HFZWEKYWJJKMKW-SNVBAGLBSA-N 1 0 356.220 2.701 20 5 FFBDRO [NH3+]CCCN(c1ccccc1F)C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602606492 521435735 /nfs/dbraw/zinc/43/57/35/521435735.db2.gz FQWABHQZPOQREJ-UHFFFAOYSA-N 1 0 373.432 2.953 20 5 FFBDRO O=C(N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1cc([N+](=O)[O-])c[nH]1 ZINC000612037584 521450430 /nfs/dbraw/zinc/45/04/30/521450430.db2.gz HMOZFFKUWDQFSD-CGTJXYLNSA-N 1 0 368.437 2.953 20 5 FFBDRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000594198702 521464710 /nfs/dbraw/zinc/46/47/10/521464710.db2.gz VCPGVBPGRAHVAS-JKSUJKDBSA-N 1 0 369.425 2.527 20 5 FFBDRO CC(C)(C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1cccnc1 ZINC000602695036 521483598 /nfs/dbraw/zinc/48/35/98/521483598.db2.gz VQZDBXLKIGRUQN-UHFFFAOYSA-N 1 0 355.442 2.921 20 5 FFBDRO O=C1CC[C@H]2C[N@H+](Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC[C@H]2N1 ZINC000602711487 521491766 /nfs/dbraw/zinc/49/17/66/521491766.db2.gz ZUNYBYNPPIJPIX-GXFFZTMASA-N 1 0 357.332 2.714 20 5 FFBDRO CCCN(C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N)[C@@H]1CC[N@H+](C)C1 ZINC000597090532 521496768 /nfs/dbraw/zinc/49/67/68/521496768.db2.gz NCSWIQWHMLKAKS-LLVKDONJSA-N 1 0 355.826 2.778 20 5 FFBDRO Nc1c(NC(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc(Cl)cc1[N+](=O)[O-] ZINC000597091968 521497843 /nfs/dbraw/zinc/49/78/43/521497843.db2.gz HULQDHKBQILLKA-DGCLKSJQSA-N 1 0 367.837 2.969 20 5 FFBDRO Nc1c(NC(=O)NCC[NH+]2CCCCCC2)cc(Cl)cc1[N+](=O)[O-] ZINC000597094780 521501098 /nfs/dbraw/zinc/50/10/98/521501098.db2.gz RNMQOFFKQBHCJD-UHFFFAOYSA-N 1 0 355.826 2.828 20 5 FFBDRO C[NH+](C)[C@H]1CCCN(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)CC1 ZINC000597095737 521501611 /nfs/dbraw/zinc/50/16/11/521501611.db2.gz GVCSSKGVYVPMCL-NSHDSACASA-N 1 0 355.826 2.778 20 5 FFBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)Nc3ccc([N+](=O)[O-])c4ccncc34)[C@@H]2C1 ZINC000599832688 521501883 /nfs/dbraw/zinc/50/18/83/521501883.db2.gz IGUABJJKGAPLAH-YVEFUNNKSA-N 1 0 355.398 2.701 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000602781279 521529401 /nfs/dbraw/zinc/52/94/01/521529401.db2.gz SCMJTTQWZIMUEI-GOSISDBHSA-N 1 0 358.442 2.823 20 5 FFBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594284313 521537194 /nfs/dbraw/zinc/53/71/94/521537194.db2.gz VQXCHRPTSIPMBW-SJLPKXTDSA-N 1 0 360.458 2.796 20 5 FFBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H](Cn3cnc4ccccc43)C2)c1 ZINC000602810740 521547586 /nfs/dbraw/zinc/54/75/86/521547586.db2.gz IJXBOEHPEOWMGM-HNNXBMFYSA-N 1 0 354.414 2.553 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000602824389 521553755 /nfs/dbraw/zinc/55/37/55/521553755.db2.gz BNSBGVQIDNINCI-UHFFFAOYSA-N 1 0 365.384 2.590 20 5 FFBDRO O=C1CC[C@H]2C[N@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)CC[C@H]2N1 ZINC000597204736 521573771 /nfs/dbraw/zinc/57/37/71/521573771.db2.gz FTIYXYURHZAXIG-XJKSGUPXSA-N 1 0 355.394 2.955 20 5 FFBDRO Cc1cc(OCC(=O)Nc2cnn(-c3cc[nH+]cc3)c2)ccc1[N+](=O)[O-] ZINC000619528375 521753003 /nfs/dbraw/zinc/75/30/03/521753003.db2.gz LJAZDIRUHVQZHP-UHFFFAOYSA-N 1 0 353.338 2.501 20 5 FFBDRO CN(CCc1cccc([N+](=O)[O-])c1)C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000619785176 521872283 /nfs/dbraw/zinc/87/22/83/521872283.db2.gz KINPGUSMGVLRKO-HXUWFJFHSA-N 1 0 357.454 2.562 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000619871920 521913525 /nfs/dbraw/zinc/91/35/25/521913525.db2.gz JZXIXDUXYAKJII-ZDUSSCGKSA-N 1 0 367.833 2.575 20 5 FFBDRO C[C@H](CCNc1ccc2ncc([N+](=O)[O-])n2n1)[N@H+](C)Cc1ccccc1 ZINC000502353700 561616806 /nfs/dbraw/zinc/61/68/06/561616806.db2.gz QPMHQWNAXABSIR-CQSZACIVSA-N 1 0 354.414 2.960 20 5 FFBDRO CNc1nccc(C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)c1[N+](=O)[O-] ZINC000516784485 562057912 /nfs/dbraw/zinc/05/79/12/562057912.db2.gz RZHILDOVOLFRBA-UHFFFAOYSA-N 1 0 369.425 2.922 20 5 FFBDRO O=[N+]([O-])c1ccccc1C=CC[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC000823648373 599457778 /nfs/dbraw/zinc/45/77/78/599457778.db2.gz VUPJPTWLGGWSGJ-HYXAFXHYSA-N 1 0 354.345 2.717 20 5 FFBDRO C[C@H]([NH2+]CCCOc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824591584 608467638 /nfs/dbraw/zinc/46/76/38/608467638.db2.gz IXXQJWXBNUJVJO-ZDUSSCGKSA-N 1 0 368.397 2.895 20 5 FFBDRO CC[C@@H]([NH2+]C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000825141838 608552190 /nfs/dbraw/zinc/55/21/90/608552190.db2.gz QOBNTZGDLGUZNO-IAGOWNOFSA-N 1 0 368.397 2.549 20 5 FFBDRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncc([N+](=O)[O-])c(C)c1C)C2 ZINC001164811788 720126780 /nfs/dbraw/zinc/12/67/80/720126780.db2.gz NJYZLIAPHYSQRG-XLIONFOSSA-N 1 0 374.485 2.791 20 5 FFBDRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2ccc3ccc([N+](=O)[O-])cc3n2)C1 ZINC001164729417 720512124 /nfs/dbraw/zinc/51/21/24/720512124.db2.gz NHYXYMVHLRSFGE-CQSZACIVSA-N 1 0 366.425 2.538 20 5 FFBDRO Cc1cnc(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]2C)c([N+](=O)[O-])c1 ZINC001164859713 720924916 /nfs/dbraw/zinc/92/49/16/720924916.db2.gz PKUGKAJBLRBWQS-CQSZACIVSA-N 1 0 358.446 2.916 20 5 FFBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164897255 721512018 /nfs/dbraw/zinc/51/20/18/721512018.db2.gz FNQHHVCHYADCEU-FUHWJXTLSA-N 1 0 372.400 2.779 20 5 FFBDRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1nc(Cl)c(Cl)cc1[N+](=O)[O-] ZINC001164929989 721856001 /nfs/dbraw/zinc/85/60/01/721856001.db2.gz QZOFPNHINMOGGQ-VXGBXAGGSA-N 1 0 374.272 2.511 20 5 FFBDRO O=[N+]([O-])c1cc(N2CC[NH+](CCOc3ccccc3)CC2)nc2[nH]ccc21 ZINC001165044781 721958534 /nfs/dbraw/zinc/95/85/34/721958534.db2.gz OFQVXGGLAXCTPZ-UHFFFAOYSA-N 1 0 367.409 2.672 20 5 FFBDRO C[C@H]1C[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2Br)CC[N@@H+]1C ZINC000159144981 728901626 /nfs/dbraw/zinc/90/16/26/728901626.db2.gz ZQHUTIDDTCVHAQ-UWVGGRQHSA-N 1 0 356.220 2.570 20 5 FFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCCN(CCF)C1 ZINC000898484628 735366935 /nfs/dbraw/zinc/36/69/35/735366935.db2.gz VLRKCVVBBUZFIQ-OLZOCXBDSA-N 1 0 355.435 2.626 20 5 FFBDRO CC(C)[NH+]1CCN([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000045777092 728008517 /nfs/dbraw/zinc/00/85/17/728008517.db2.gz CDFWJYAWXZGYEW-GFCCVEGCSA-N 1 0 354.838 2.601 20 5 FFBDRO CC[C@H](C(=O)O[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)[NH+](CC)CC ZINC000778677296 738404023 /nfs/dbraw/zinc/40/40/23/738404023.db2.gz QDMPUAADAQXCDT-KFWWJZLASA-N 1 0 352.435 2.939 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000106867843 728512573 /nfs/dbraw/zinc/51/25/73/728512573.db2.gz SMJXNWYWBLHNHW-ZDUSSCGKSA-N 1 0 351.403 2.702 20 5 FFBDRO C[NH+](C)CC[C@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(C)(C)C ZINC000116129300 728569737 /nfs/dbraw/zinc/56/97/37/728569737.db2.gz YGFREOIXCABYJO-AWEZNQCLSA-N 1 0 352.391 2.599 20 5 FFBDRO C[C@@H](CNC(=O)OC(C)(C)C)[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000171954691 729016340 /nfs/dbraw/zinc/01/63/40/729016340.db2.gz LDGZSEPNSPZCPH-ZDUSSCGKSA-N 1 0 353.419 2.819 20 5 FFBDRO O=[N+]([O-])c1ccc(Cl)cc1CN1CCC(C[NH+]2CCOCC2)CC1 ZINC000174844171 729081065 /nfs/dbraw/zinc/08/10/65/729081065.db2.gz POXLZQZKUGPVPF-UHFFFAOYSA-N 1 0 353.850 2.792 20 5 FFBDRO CC(C)[C@@H](C[NH+](C)C)NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000755357285 736250796 /nfs/dbraw/zinc/25/07/96/736250796.db2.gz RSRDXVWPGZWHDH-CQSZACIVSA-N 1 0 372.263 2.602 20 5 FFBDRO COc1cc(C[N@H+](C)[C@H](C)CNC(=O)OC(C)(C)C)ccc1[N+](=O)[O-] ZINC000778949679 738423672 /nfs/dbraw/zinc/42/36/72/738423672.db2.gz RKHNKDPVORXXOY-GFCCVEGCSA-N 1 0 353.419 2.948 20 5 FFBDRO O=[N+]([O-])c1c(Br)cccc1NCCC[NH+]1CCC(O)CC1 ZINC000856724892 730350263 /nfs/dbraw/zinc/35/02/63/730350263.db2.gz XLDALQTZWGWOLG-UHFFFAOYSA-N 1 0 358.236 2.616 20 5 FFBDRO CO[C@@H]1C[N@H+](C)[C@](C)(COC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)C1 ZINC000861340144 730600515 /nfs/dbraw/zinc/60/05/15/730600515.db2.gz FFZMUYULNXRSIX-JDFRZJQESA-N 1 0 368.455 2.728 20 5 FFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)OC[C@]1(C)C[C@H](OC)C[N@@H+]1C ZINC000861350679 730602840 /nfs/dbraw/zinc/60/28/40/730602840.db2.gz QNRDTFWQIFAFLU-GUYCJALGSA-N 1 0 368.455 2.973 20 5 FFBDRO CC[C@H]([NH2+][C@H](C)C1CCN(S(C)(=O)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000925231090 738491737 /nfs/dbraw/zinc/49/17/37/738491737.db2.gz RONCSSKWLNAOTL-DYVFJYSZSA-N 1 0 369.487 2.696 20 5 FFBDRO C[NH+](C)[C@H](CNC(=O)Cc1cccc(F)c1[N+](=O)[O-])c1ccsc1 ZINC000864806845 730881825 /nfs/dbraw/zinc/88/18/25/730881825.db2.gz LXQSQDXHLDBAQE-CQSZACIVSA-N 1 0 351.403 2.757 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H]1CC2(CO1)CCOCC2 ZINC000865781073 730996850 /nfs/dbraw/zinc/99/68/50/730996850.db2.gz GRYKYVIBMHAFGL-MRXNPFEDSA-N 1 0 350.415 2.669 20 5 FFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000866299423 731047699 /nfs/dbraw/zinc/04/76/99/731047699.db2.gz KPHSWULHOGFURG-BYCMXARLSA-N 1 0 358.435 2.610 20 5 FFBDRO CCS[C@@H]1CCC[C@@H](NC(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C1 ZINC000867949764 731244601 /nfs/dbraw/zinc/24/46/01/731244601.db2.gz IIVKOZFMQSLPQN-UNEWFSDZSA-N 1 0 351.472 2.949 20 5 FFBDRO C[C@@H](NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000868005598 731250809 /nfs/dbraw/zinc/25/08/09/731250809.db2.gz UEKJRYCRMDROSO-LLVKDONJSA-N 1 0 355.822 2.521 20 5 FFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CC1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000873171564 731884400 /nfs/dbraw/zinc/88/44/00/731884400.db2.gz OIRLKQQWSWVADP-BGVWEBJGSA-N 1 0 350.440 2.553 20 5 FFBDRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000874825259 732104115 /nfs/dbraw/zinc/10/41/15/732104115.db2.gz ITZLMAKJJMOMKW-KBPBESRZSA-N 1 0 357.332 2.922 20 5 FFBDRO O=C1CC2(CN1)CC[NH+](Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])CC2 ZINC000876743407 732275509 /nfs/dbraw/zinc/27/55/09/732275509.db2.gz GIWAPERMXQYHKZ-UHFFFAOYSA-N 1 0 357.332 2.716 20 5 FFBDRO CC1(C)CC[C@H](CNC(=O)c2c(Br)cccc2[N+](=O)[O-])[NH2+]C1 ZINC000877151580 732328882 /nfs/dbraw/zinc/32/88/82/732328882.db2.gz NNFFNMJZRQUIMW-SNVBAGLBSA-N 1 0 370.247 2.865 20 5 FFBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000877246794 732336344 /nfs/dbraw/zinc/33/63/44/732336344.db2.gz PQYBHVOSQIXEIS-YHPBZONMSA-N 1 0 355.797 2.577 20 5 FFBDRO O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877282592 732340391 /nfs/dbraw/zinc/34/03/91/732340391.db2.gz RVUHWQOURBOLMU-HIFRSBDPSA-N 1 0 358.423 2.685 20 5 FFBDRO CN(CCCCCC[NH3+])C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000877440437 732362304 /nfs/dbraw/zinc/36/23/04/732362304.db2.gz XSLAFYCXNJGLDV-UHFFFAOYSA-N 1 0 358.236 2.948 20 5 FFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@@H](O)c3cc(F)cc(Cl)c3)C2)c1 ZINC000877483648 732371053 /nfs/dbraw/zinc/37/10/53/732371053.db2.gz ZFIQZGFIEYBLBP-SSDMNJCBSA-N 1 0 354.769 2.611 20 5 FFBDRO C[C@@H]([NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CCC(F)(F)CC1 ZINC000877831038 732443632 /nfs/dbraw/zinc/44/36/32/732443632.db2.gz NUDXYCHQXICTDO-HFBAOOFYSA-N 1 0 358.385 2.793 20 5 FFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC000926945717 738671195 /nfs/dbraw/zinc/67/11/95/738671195.db2.gz LYRKQXZGRPHQDO-KQTLUZQSSA-N 1 0 352.456 2.859 20 5 FFBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc([N+](=O)[O-])c3Br)CC[C@H]21 ZINC000881439510 733055162 /nfs/dbraw/zinc/05/51/62/733055162.db2.gz NZSXYYKHPOCFGC-ZYHUDNBSSA-N 1 0 368.231 2.524 20 5 FFBDRO O=C(CN1CCCC[C@]2(CC[NH2+]C2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000886865349 733850892 /nfs/dbraw/zinc/85/08/92/733850892.db2.gz HWPCFGSJCACLOX-QGZVFWFLSA-N 1 0 366.849 2.652 20 5 FFBDRO CCOc1cc(NC(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000888834533 734103896 /nfs/dbraw/zinc/10/38/96/734103896.db2.gz KVGOKEPDGQTUND-ZDUSSCGKSA-N 1 0 350.419 2.845 20 5 FFBDRO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(Cl)c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000783573748 738815936 /nfs/dbraw/zinc/81/59/36/738815936.db2.gz KUOJVRXBYGLFIX-PBHICJAKSA-N 1 0 366.893 2.706 20 5 FFBDRO O=[N+]([O-])c1cnc2cc(Br)ccc2c1N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000891928703 734496741 /nfs/dbraw/zinc/49/67/41/734496741.db2.gz HAOSVQKWAHGANH-UWVGGRQHSA-N 1 0 363.215 2.561 20 5 FFBDRO CC[NH+](CC)CCN(CCOC)C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000729660370 734589541 /nfs/dbraw/zinc/58/95/41/734589541.db2.gz WTHCHMSXAADHBD-UHFFFAOYSA-N 1 0 357.838 2.679 20 5 FFBDRO C[C@@]1(NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C[NH+]2CCC1CC2 ZINC000892765518 734600916 /nfs/dbraw/zinc/60/09/16/734600916.db2.gz FKGTWWOYYLILRS-OAHLLOKOSA-N 1 0 357.332 2.828 20 5 FFBDRO CC[NH+](CC)C[C@H](C)Nc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000731991016 734711212 /nfs/dbraw/zinc/71/12/12/734711212.db2.gz NBXXFHPLZQLKPI-JTQLQIEISA-N 1 0 365.402 2.733 20 5 FFBDRO CN(C(=O)c1cc([N+](=O)[O-])ccc1Br)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000732036482 734713296 /nfs/dbraw/zinc/71/32/96/734713296.db2.gz SNYSNNBURRBCSF-GFCCVEGCSA-N 1 0 368.231 2.666 20 5 FFBDRO CN1CC[NH+](CC2CCN(Cc3ccc(Cl)cc3[N+](=O)[O-])CC2)CC1 ZINC000894458153 734861851 /nfs/dbraw/zinc/86/18/51/734861851.db2.gz MUOIWELQFJUBGB-UHFFFAOYSA-N 1 0 366.893 2.708 20 5 FFBDRO CC[NH+](CC)CCCNC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000734120210 734875597 /nfs/dbraw/zinc/87/55/97/734875597.db2.gz NYJMCIDOKKMKPS-UHFFFAOYSA-N 1 0 352.391 2.582 20 5 FFBDRO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000740868167 735093750 /nfs/dbraw/zinc/09/37/50/735093750.db2.gz SXGOCPGENMWKSX-LBPRGKRZSA-N 1 0 353.394 2.877 20 5 FFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000897220408 735207850 /nfs/dbraw/zinc/20/78/50/735207850.db2.gz ASLDRYCVEADEEZ-STQMWFEESA-N 1 0 359.348 2.649 20 5 FFBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2(OCCO)CCC(C(F)F)CC2)cc1 ZINC000897539604 735244342 /nfs/dbraw/zinc/24/43/42/735244342.db2.gz KHWWIPSWFMINDF-UHFFFAOYSA-N 1 0 358.385 2.887 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000747376505 735560271 /nfs/dbraw/zinc/56/02/71/735560271.db2.gz SUIIERSASQLUAX-BYCMXARLSA-N 1 0 367.833 2.572 20 5 FFBDRO CC[N@@H+]1CCC[C@@H]1CNC(=S)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000751916526 735934347 /nfs/dbraw/zinc/93/43/47/735934347.db2.gz BHDWIZRWTDJDHL-OAHLLOKOSA-N 1 0 350.488 2.778 20 5 FFBDRO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000752234007 735969540 /nfs/dbraw/zinc/96/95/40/735969540.db2.gz BSNWZYDUNCFUHM-LLVKDONJSA-N 1 0 363.867 2.565 20 5 FFBDRO Cc1c(Br)cc(C(=O)NCC[N@H+]2CCC[C@H]2C)cc1[N+](=O)[O-] ZINC000753094503 736037103 /nfs/dbraw/zinc/03/71/03/736037103.db2.gz DLOFZYXKEXBNPK-SNVBAGLBSA-N 1 0 370.247 2.880 20 5 FFBDRO CN(C)Cc1csc(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000903218698 736057490 /nfs/dbraw/zinc/05/74/90/736057490.db2.gz BRJREDJSHPYNQA-ZIAGYGMSSA-N 1 0 364.475 2.583 20 5 FFBDRO COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000903450815 736096274 /nfs/dbraw/zinc/09/62/74/736096274.db2.gz OCNLUFMHIYPIPI-QPSCCSFWSA-N 1 0 350.419 2.596 20 5 FFBDRO COC(=O)C[C@H]([NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000754535989 736169409 /nfs/dbraw/zinc/16/94/09/736169409.db2.gz BGSNMZZBMRFVCV-OTYXRUKQSA-N 1 0 369.805 2.507 20 5 FFBDRO [NH3+][C@@H]1CN(Cc2c(Br)cccc2[N+](=O)[O-])C[C@H]1C(F)(F)F ZINC000903982795 736199580 /nfs/dbraw/zinc/19/95/80/736199580.db2.gz VOZAXBRUZWSIAQ-PSASIEDQSA-N 1 0 368.153 2.679 20 5 FFBDRO C[NH+](C)C[C@@H]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 ZINC000755006909 736226207 /nfs/dbraw/zinc/22/62/07/736226207.db2.gz HKYYBRAPHWFPRJ-VIFPVBQESA-N 1 0 374.210 2.520 20 5 FFBDRO C[C@H]1C[C@H](NC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000755025985 736227893 /nfs/dbraw/zinc/22/78/93/736227893.db2.gz PZBUTWBLJZKKAX-GXSJLCMTSA-N 1 0 371.235 2.962 20 5 FFBDRO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CCC[C@]12CC[NH2+]C2 ZINC000904470427 736253874 /nfs/dbraw/zinc/25/38/74/736253874.db2.gz KVNGCJKEHDNJQI-CQSZACIVSA-N 1 0 369.219 2.717 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCSC3(CCC3)C2)cc1 ZINC000905602828 736367492 /nfs/dbraw/zinc/36/74/92/736367492.db2.gz WDUMAYDGELHQNP-CYBMUJFWSA-N 1 0 370.496 2.776 20 5 FFBDRO CC[C@@H](C)[NH2+][C@@H](CNS(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccco1 ZINC000796047827 740095984 /nfs/dbraw/zinc/09/59/84/740095984.db2.gz LCNKTBHORRBSCO-PWSUYJOCSA-N 1 0 373.456 2.657 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000906791353 736543900 /nfs/dbraw/zinc/54/39/00/736543900.db2.gz LCGAMOLJBKMBBK-GWCFXTLKSA-N 1 0 354.838 2.633 20 5 FFBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC000906969758 736566639 /nfs/dbraw/zinc/56/66/39/736566639.db2.gz BETJTCRYMZUSDD-ZBEGNZNMSA-N 1 0 351.834 2.780 20 5 FFBDRO C[NH+](C)[C@@H]1CCCN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000759968764 736607569 /nfs/dbraw/zinc/60/75/69/736607569.db2.gz YRBJZMNTHSKCLD-CYBMUJFWSA-N 1 0 354.838 2.603 20 5 FFBDRO CC(C)[NH+](CCCNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2)C(C)C ZINC000761908658 736770012 /nfs/dbraw/zinc/77/00/12/736770012.db2.gz UCBPNMYYNNCHEW-UHFFFAOYSA-N 1 0 350.419 2.847 20 5 FFBDRO C[N@@H+]1CCCC[C@H]1CCOC(=O)c1cc([N+](=O)[O-])ccc1SCCO ZINC000763744491 736965264 /nfs/dbraw/zinc/96/52/64/736965264.db2.gz NBRDOXDCODZDRE-ZDUSSCGKSA-N 1 0 368.455 2.710 20 5 FFBDRO CC[N@H+](C[C@H]1CCOC1)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000764197670 737000960 /nfs/dbraw/zinc/00/09/60/737000960.db2.gz PQEPPNYUUJSXAO-NWDGAFQWSA-N 1 0 355.822 2.934 20 5 FFBDRO O=C(c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912903831 737355742 /nfs/dbraw/zinc/35/57/42/737355742.db2.gz UWJITMSGXWODGW-MRVPVSSYSA-N 1 0 362.188 2.961 20 5 FFBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]CC1CCS(=O)(=O)CC1 ZINC000811485640 741528526 /nfs/dbraw/zinc/52/85/26/741528526.db2.gz VAONYPQKXYVQQR-UHFFFAOYSA-N 1 0 367.254 2.816 20 5 FFBDRO Cc1cc(S(=O)(=O)NCC[N@@H+](C)C2CCCCC2)cc([N+](=O)[O-])c1F ZINC000771743888 737751123 /nfs/dbraw/zinc/75/11/23/737751123.db2.gz SQFDYOAZEWPOBY-UHFFFAOYSA-N 1 0 373.450 2.585 20 5 FFBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]C[C@@H]2COC3(CCCC3)O2)c1 ZINC000773412575 737903464 /nfs/dbraw/zinc/90/34/64/737903464.db2.gz BCPZHDSDLGRIBP-CYBMUJFWSA-N 1 0 358.341 2.972 20 5 FFBDRO O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000774242631 737972894 /nfs/dbraw/zinc/97/28/94/737972894.db2.gz ARJYPPMFHOPJDZ-CYBMUJFWSA-N 1 0 367.833 2.575 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCc1ccccc1S(C)(=O)=O ZINC000922682870 738184336 /nfs/dbraw/zinc/18/43/36/738184336.db2.gz MALPJXNHCZEGAO-UHFFFAOYSA-N 1 0 362.451 2.947 20 5 FFBDRO COc1cc(C[NH2+]C[C@@H]2CCC[C@@H](C(F)(F)F)O2)c([N+](=O)[O-])cc1O ZINC000922694175 738187036 /nfs/dbraw/zinc/18/70/36/738187036.db2.gz KCPLPIMIMONTAI-HZMBPMFUSA-N 1 0 364.320 2.899 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2CCS[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000922835815 738207766 /nfs/dbraw/zinc/20/77/66/738207766.db2.gz FSXYGAQPRHRSTP-WCQYABFASA-N 1 0 354.428 2.520 20 5 FFBDRO C[C@@]1(CC[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1(Cl)Cl ZINC000819350819 742380162 /nfs/dbraw/zinc/38/01/62/742380162.db2.gz RURHDKQNLPXGEU-SMDDNHRTSA-N 1 0 363.241 2.898 20 5 FFBDRO Cc1ccsc1[C@@H](CO)[NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000778157813 738359677 /nfs/dbraw/zinc/35/96/77/738359677.db2.gz DDWQTIHUKWLMSE-GFCCVEGCSA-N 1 0 369.830 2.880 20 5 FFBDRO C[C@H](O)[C@H]1C[C@H](C)CC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000785547482 738976098 /nfs/dbraw/zinc/97/60/98/738976098.db2.gz YVVDULVJDZARHN-BFQNTYOBSA-N 1 0 353.394 2.544 20 5 FFBDRO CC(C)[NH+]1CCC(N(C)C(=O)CCc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000929726677 739014919 /nfs/dbraw/zinc/01/49/19/739014919.db2.gz ZRKYMKVKIUFNQL-UHFFFAOYSA-N 1 0 351.422 2.998 20 5 FFBDRO COCC1([NH2+]Cc2cc([N+](=O)[O-])ccc2Br)CCOCC1 ZINC000930575026 739130983 /nfs/dbraw/zinc/13/09/83/739130983.db2.gz VKEDPYOSBDWNFL-UHFFFAOYSA-N 1 0 359.220 2.643 20 5 FFBDRO C[NH+](C)CC1(O)CCN(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000931480906 739272577 /nfs/dbraw/zinc/27/25/77/739272577.db2.gz LSTRDPDVVZGKRI-UHFFFAOYSA-N 1 0 362.257 2.790 20 5 FFBDRO C[C@@]1([C@H]2CCC[N@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C2)COC(=O)N1 ZINC000932017557 739373356 /nfs/dbraw/zinc/37/33/56/739373356.db2.gz WGBWHVIHDHJGND-LRDDRELGSA-N 1 0 353.806 2.959 20 5 FFBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000790694258 739485380 /nfs/dbraw/zinc/48/53/80/739485380.db2.gz VWNAZDIRHSVXRT-GFCCVEGCSA-N 1 0 357.813 2.920 20 5 FFBDRO CC(C)C[C@@H]1C[N@H+](C)CCN1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000933247630 739588501 /nfs/dbraw/zinc/58/85/01/739588501.db2.gz HKPIZSBISULGHU-CQSZACIVSA-N 1 0 368.865 2.849 20 5 FFBDRO O=C(C[NH2+]C1([C@@H]2CCCCO2)CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000933377890 739612668 /nfs/dbraw/zinc/61/26/68/739612668.db2.gz IJFULPYSJPSEJJ-AWEZNQCLSA-N 1 0 353.806 2.878 20 5 FFBDRO C[C@](CO)(Cc1ccc(Cl)cc1)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000933443063 739627129 /nfs/dbraw/zinc/62/71/29/739627129.db2.gz POIXTDSZOBITJX-ZWKOTPCHSA-N 1 0 364.829 2.865 20 5 FFBDRO CCOC(=O)C1([C@H](C)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)CCOCC1 ZINC000933881498 739700691 /nfs/dbraw/zinc/70/06/91/739700691.db2.gz SICGJWWKKWPHHS-AWEZNQCLSA-N 1 0 350.415 2.741 20 5 FFBDRO COC(=O)C[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)C(C)(C)C ZINC000934031441 739723289 /nfs/dbraw/zinc/72/32/89/739723289.db2.gz WJPYMQPBJVEANY-AWEZNQCLSA-N 1 0 352.387 2.529 20 5 FFBDRO C[NH+](C)CC(C)(C)CNC(=S)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000793308943 739764821 /nfs/dbraw/zinc/76/48/21/739764821.db2.gz MQJIETJVFHMEOH-UHFFFAOYSA-N 1 0 352.504 2.882 20 5 FFBDRO Cc1c(C[NH+]2CCC(CN=[S@](C)(=O)N(C)C)CC2)cccc1[N+](=O)[O-] ZINC000934749042 739831445 /nfs/dbraw/zinc/83/14/45/739831445.db2.gz BUZMMWIVXZAPTR-VWLOTQADSA-N 1 0 368.503 2.690 20 5 FFBDRO CC(C)(C)CC[NH+]1CCC2(CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1 ZINC000957547717 740545303 /nfs/dbraw/zinc/54/53/03/740545303.db2.gz MMVIFEKSVMAINL-HZPDHXFCSA-N 1 0 351.491 2.792 20 5 FFBDRO CS[C@H]1CN(Cc2ccc(Br)c([N+](=O)[O-])c2)C[C@@H]1[NH+](C)C ZINC000801525023 740627464 /nfs/dbraw/zinc/62/74/64/740627464.db2.gz DLRSBTJSHREBHF-KBPBESRZSA-N 1 0 374.304 2.835 20 5 FFBDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000809916620 741360409 /nfs/dbraw/zinc/36/04/09/741360409.db2.gz QDYCJERAROBCNH-LLVKDONJSA-N 1 0 370.837 2.557 20 5 FFBDRO CSC1(CNC(=O)/C=C(/C)c2ccc([N+](=O)[O-])cc2)CC[NH+](C)CC1 ZINC000810880266 741458066 /nfs/dbraw/zinc/45/80/66/741458066.db2.gz AGPMBZQMSYMSQI-OWBHPGMISA-N 1 0 363.483 2.942 20 5 FFBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000811598768 741541560 /nfs/dbraw/zinc/54/15/60/741541560.db2.gz CCFLGXJAMHRYBF-LLVKDONJSA-N 1 0 352.391 2.662 20 5 FFBDRO CC(C)[NH+]1CCC(NC(=O)COc2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000814775760 741864096 /nfs/dbraw/zinc/86/40/96/741864096.db2.gz WBLFYRRKWAMNSV-UHFFFAOYSA-N 1 0 355.822 2.616 20 5 FFBDRO C[C@@H]([NH2+]CCNC(=O)c1ccc(Cl)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815569057 741945750 /nfs/dbraw/zinc/94/57/50/741945750.db2.gz FHXAJUYWDGVOSJ-LLVKDONJSA-N 1 0 362.817 2.911 20 5 FFBDRO COC1CCN(C(C)(C)C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000815578563 741946015 /nfs/dbraw/zinc/94/60/15/741946015.db2.gz QRIKMYABNYGNNK-ZDUSSCGKSA-N 1 0 350.463 2.717 20 5 FFBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000817310747 742121922 /nfs/dbraw/zinc/12/19/22/742121922.db2.gz LEQWYHREQUMUFW-NSHDSACASA-N 1 0 371.235 2.915 20 5 FFBDRO C[NH+](C)C1CCC(NC(=O)c2cccc([N+](=O)[O-])c2Br)CC1 ZINC000817484685 742152263 /nfs/dbraw/zinc/15/22/63/742152263.db2.gz ZUIMGJMJNRRGCX-UHFFFAOYSA-N 1 0 370.247 2.960 20 5 FFBDRO Cc1cc(C[NH+]2CCC3(CCN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)CC2)cs1 ZINC001040700690 743023371 /nfs/dbraw/zinc/02/33/71/743023371.db2.gz PCXPHYQMDDGMNY-HZPDHXFCSA-N 1 0 363.483 2.536 20 5 FFBDRO Cn1nccc1[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CCO1 ZINC000825045434 743200175 /nfs/dbraw/zinc/20/01/75/743200175.db2.gz DJGVTICLXXPRJZ-BBRMVZONSA-N 1 0 350.806 2.992 20 5 FFBDRO CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[NH+](Cc2sccc2Cl)CC1 ZINC001045436737 743273915 /nfs/dbraw/zinc/27/39/15/743273915.db2.gz VTDWHTYVTJIXAA-ZYHUDNBSSA-N 1 0 357.863 2.537 20 5 FFBDRO CN(C)c1cc[nH+]c(CNC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000829964856 745286035 /nfs/dbraw/zinc/28/60/35/745286035.db2.gz GXECFWOKSIOBQK-UHFFFAOYSA-N 1 0 362.817 2.958 20 5 FFBDRO CCO[C@@H]1C[C@@H]([NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@@H]1SC ZINC000830456334 745361714 /nfs/dbraw/zinc/36/17/14/745361714.db2.gz RYRAYFVFWADIHA-FMKPAKJESA-N 1 0 371.434 2.561 20 5 FFBDRO COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000830659369 745399580 /nfs/dbraw/zinc/39/95/80/745399580.db2.gz RXZHEMJOZYUFHB-KGLIPLIRSA-N 1 0 351.359 2.715 20 5 FFBDRO C[NH+](C)CC(C)(C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000837238985 746400779 /nfs/dbraw/zinc/40/07/79/746400779.db2.gz FENWVFWWOGVQTJ-UHFFFAOYSA-N 1 0 362.199 2.566 20 5 FFBDRO COc1cc(N)c([N+](=O)[O-])cc1C(=O)OC[C@H]1CCCC[N@@H+]1C(C)C ZINC000837667298 746496001 /nfs/dbraw/zinc/49/60/01/746496001.db2.gz VDZKEOQDZIBPPT-GFCCVEGCSA-N 1 0 351.403 2.605 20 5 FFBDRO NC(=O)CCC1CCN(Cc2cccc([N+](=O)[O-])c2Br)CC1 ZINC000839535973 746850100 /nfs/dbraw/zinc/85/01/00/746850100.db2.gz KHDYHNNXSNZWHY-UHFFFAOYSA-N 1 0 370.247 2.835 20 5 FFBDRO C[C@]1(CNC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CCC[NH2+]C1 ZINC000841162355 747285441 /nfs/dbraw/zinc/28/54/41/747285441.db2.gz VHEGSMRPUUEKPV-AWEZNQCLSA-N 1 0 371.235 2.869 20 5 FFBDRO CN(C(=O)c1cc2nsnc2c([N+](=O)[O-])c1)C(C)(C)C[NH+]1CCCC1 ZINC000841468069 747358710 /nfs/dbraw/zinc/35/87/10/747358710.db2.gz RSDHXOQLLDZQFW-UHFFFAOYSA-N 1 0 363.443 2.546 20 5 FFBDRO O=C(CN1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000842474511 747612505 /nfs/dbraw/zinc/61/25/05/747612505.db2.gz UMKBJGUQWPCUOE-IUODEOHRSA-N 1 0 366.849 2.651 20 5 FFBDRO [NH3+][C@H]1CCCO[C@H]1C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000842509167 747623191 /nfs/dbraw/zinc/62/31/91/747623191.db2.gz HECPKLAKAYYRPG-HOTGVXAUSA-N 1 0 367.833 2.607 20 5 FFBDRO [NH3+][C@H]1CCO[C@H](C2CCN(C(=O)c3cccc(Cl)c3[N+](=O)[O-])CC2)C1 ZINC000842510039 747623398 /nfs/dbraw/zinc/62/33/98/747623398.db2.gz OARKWHVQJBVEJG-WFASDCNBSA-N 1 0 367.833 2.607 20 5 FFBDRO O=C(CN1CC[NH2+]CC12CCCCC2)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000843360609 747817781 /nfs/dbraw/zinc/81/77/81/747817781.db2.gz BWFSVSUGAUTWDT-UHFFFAOYSA-N 1 0 366.849 2.795 20 5 FFBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC[C@@H](CC[NH3+])C1 ZINC000843377848 747820615 /nfs/dbraw/zinc/82/06/15/747820615.db2.gz OTRIBGCUPILWDR-RYUDHWBXSA-N 1 0 354.838 2.636 20 5 FFBDRO CC[C@@H]1CN([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC[C@@H]1[NH3+] ZINC000843377377 747820790 /nfs/dbraw/zinc/82/07/90/747820790.db2.gz PKGDJMPCUXHBAF-GYSYKLTISA-N 1 0 354.838 2.634 20 5 FFBDRO O=C(CN1CCC([C@H]2CC[NH2+]C2)CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000843386326 747821730 /nfs/dbraw/zinc/82/17/30/747821730.db2.gz GSHUTJUGBYAFTA-ZDUSSCGKSA-N 1 0 366.849 2.508 20 5 FFBDRO CC(C)[C@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CC[NH2+]1 ZINC000843467543 747840747 /nfs/dbraw/zinc/84/07/47/747840747.db2.gz GTQYARCXYXCHDT-LLVKDONJSA-N 1 0 374.210 2.566 20 5 FFBDRO CC[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CC[C@@H]1[NH3+] ZINC000843470822 747841438 /nfs/dbraw/zinc/84/14/38/747841438.db2.gz DTISAPUEDAFLKO-KCJUWKMLSA-N 1 0 374.210 2.696 20 5 FFBDRO COc1ccc(NC(=O)C[C@@H]([NH3+])c2cc(C)nc(Cl)c2)cc1[N+](=O)[O-] ZINC000843486621 747844246 /nfs/dbraw/zinc/84/42/46/747844246.db2.gz XMKAOVRAZXMCKK-GFCCVEGCSA-N 1 0 364.789 2.989 20 5 FFBDRO C[C@@H]1[C@H](C(=O)N[C@@H](c2cccc([N+](=O)[O-])c2F)C(F)(F)F)CC[N@@H+]1C ZINC000843907415 747925806 /nfs/dbraw/zinc/92/58/06/747925806.db2.gz ZCRZFXSZMLBVDZ-KKFJDGPESA-N 1 0 363.311 2.794 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(Cl)cc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000845532220 748277524 /nfs/dbraw/zinc/27/75/24/748277524.db2.gz LSECOGLQURRUHW-GFCCVEGCSA-N 1 0 357.813 2.936 20 5 FFBDRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000847256367 748663071 /nfs/dbraw/zinc/66/30/71/748663071.db2.gz PQAUIAJXFKYYSM-GJZGRUSLSA-N 1 0 353.369 2.820 20 5 FFBDRO COCC[NH+]1CCC(OC(=O)c2ccc(SC)c([N+](=O)[O-])c2)CC1 ZINC000847881349 748802581 /nfs/dbraw/zinc/80/25/81/748802581.db2.gz IIYQNNTXSPNXOL-UHFFFAOYSA-N 1 0 354.428 2.584 20 5 FFBDRO C[NH+](C)C1CCC(NC(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)CC1 ZINC000848593761 748969711 /nfs/dbraw/zinc/96/97/11/748969711.db2.gz TUZFVBLZTXLTPV-UHFFFAOYSA-N 1 0 357.357 2.555 20 5 FFBDRO [NH2+]=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCC1CCC1 ZINC000849055918 749042555 /nfs/dbraw/zinc/04/25/55/749042555.db2.gz LDUPIOZOOVBEGG-UHFFFAOYSA-N 1 0 359.352 2.940 20 5 FFBDRO CCOc1ccc([C@@H](C)[NH2+]CC[S@](=O)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000850495385 749375491 /nfs/dbraw/zinc/37/54/91/749375491.db2.gz CQXSWUIHYOFJMZ-ZZDSUILFSA-N 1 0 368.377 2.955 20 5 FFBDRO [NH3+]C1(CNC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CCCC1 ZINC000850729389 749418009 /nfs/dbraw/zinc/41/80/09/749418009.db2.gz IPIUMHLALCCGDF-UHFFFAOYSA-N 1 0 357.208 2.750 20 5 FFBDRO Cc1noc(CN2CCC[C@@H]2CN(C)C(=O)OC(C)(C)C)c1[N+](=O)[O-] ZINC000851792964 749677835 /nfs/dbraw/zinc/67/78/35/749677835.db2.gz VOEGTUDQCQQMMT-GFCCVEGCSA-N 1 0 354.407 2.723 20 5 FFBDRO C[N@@H+]1CC[C@@]2(C1)CCCN(CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C2 ZINC000852108582 749775673 /nfs/dbraw/zinc/77/56/73/749775673.db2.gz HWDPOVFDDCQFAR-QGZVFWFLSA-N 1 0 366.849 2.604 20 5 FFBDRO C[C@@H](CO)[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000852424269 749856918 /nfs/dbraw/zinc/85/69/18/749856918.db2.gz ALMMOYBKNPETQS-LRDDRELGSA-N 1 0 353.394 2.545 20 5 FFBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)c1cc(C2CC[NH2+]CC2)no1 ZINC000852815718 749959809 /nfs/dbraw/zinc/95/98/09/749959809.db2.gz ZPSKVWPEMBDBBD-UHFFFAOYSA-N 1 0 364.789 2.633 20 5 FFBDRO CC[NH+](CC)CCO[C@@H]1CCN(c2cc(OC)c(C)cc2[N+](=O)[O-])C1 ZINC000853398977 750056582 /nfs/dbraw/zinc/05/65/82/750056582.db2.gz XHYZMECMKZMQHO-OAHLLOKOSA-N 1 0 351.447 2.849 20 5 FFBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](C[C@H](O)c3cccc(Cl)c3)C2)nc1 ZINC000072665081 845558068 /nfs/dbraw/zinc/55/80/68/845558068.db2.gz VNGRFLOADNRNHV-HOCLYGCPSA-N 1 0 362.817 2.863 20 5 FFBDRO Cn1cc(C[N@@H+]2CC[C@H]([C@@H]3CCCO3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000895843991 970992661 /nfs/dbraw/zinc/99/26/61/970992661.db2.gz KWTSVFZGLBPDMO-YJBOKZPZSA-N 1 0 356.426 2.996 20 5 FFBDRO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N[C@H](CC[NH+](C)C)c1cccnc1 ZINC000895890080 971046863 /nfs/dbraw/zinc/04/68/63/971046863.db2.gz CMQSVTGLYCJYBX-LLVKDONJSA-N 1 0 372.351 2.847 20 5 FFBDRO COc1c(O)ccc(C[NH2+]C[C@@]2(C)OCCc3ccccc32)c1[N+](=O)[O-] ZINC000896021614 971161980 /nfs/dbraw/zinc/16/19/80/971161980.db2.gz LWORCURUFIXMBC-LJQANCHMSA-N 1 0 358.394 2.887 20 5 FFBDRO CN(CC1CC[NH+](C)CC1)C(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC000896163962 971290986 /nfs/dbraw/zinc/29/09/86/971290986.db2.gz LUVLMJRRDOTFAY-UHFFFAOYSA-N 1 0 356.426 2.744 20 5 FFBDRO CC[C@H]1CO[C@@](C)(CCC(C)C)N1c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001167133100 960223386 /nfs/dbraw/zinc/22/33/86/960223386.db2.gz SVZJEQFGSZCHNX-KSSFIOAISA-N 1 0 363.462 2.839 20 5 FFBDRO O=[N+]([O-])c1ccc2ncnc(N3C[C@H]4C[NH2+]C[C@@]4(c4ccccc4)C3)c2c1 ZINC001167208336 960404414 /nfs/dbraw/zinc/40/44/14/960404414.db2.gz QUQLXVPWGJFXLJ-QRWLVFNGSA-N 1 0 361.405 2.515 20 5 FFBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)NCc1cccc2c1CC[NH2+]C2 ZINC000891667442 964768533 /nfs/dbraw/zinc/76/85/33/964768533.db2.gz GNBJEPWUPJFKDD-UHFFFAOYSA-N 1 0 374.828 2.893 20 5 FFBDRO C[C@H]1CC[C@H](C)N1C(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000934044013 965541129 /nfs/dbraw/zinc/54/11/29/965541129.db2.gz RGRGZUORGWTASI-KBPBESRZSA-N 1 0 361.446 2.751 20 5 FFBDRO COC1CCC(C[NH+]2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000894647058 965555666 /nfs/dbraw/zinc/55/56/66/965555666.db2.gz NURUGJYCCJCPTJ-UHFFFAOYSA-N 1 0 361.442 2.558 20 5 FFBDRO [NH3+]CCc1cn(-c2ncnc3cc(F)c([N+](=O)[O-])cc32)c2ccc(O)cc12 ZINC001167982214 965639548 /nfs/dbraw/zinc/63/95/48/965639548.db2.gz AZKXQQCRNWHZGW-UHFFFAOYSA-N 1 0 367.340 2.828 20 5 FFBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2ccc(C3CCC3)cc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000983655193 965681273 /nfs/dbraw/zinc/68/12/73/965681273.db2.gz QWABOIQNRDYUDX-UTRMSSBJSA-N 1 0 357.454 2.604 20 5 FFBDRO NC(=O)[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccc(F)cc1 ZINC000134880659 965836018 /nfs/dbraw/zinc/83/60/18/965836018.db2.gz MIQKOUACYMOFDB-SFHVURJKSA-N 1 0 372.400 2.519 20 5 FFBDRO O=[N+]([O-])c1c2cccnc2ccc1N1CC[NH+](CCc2ccncc2)CC1 ZINC000894838515 965856376 /nfs/dbraw/zinc/85/63/76/965856376.db2.gz ADLZNZOVCFBOOX-UHFFFAOYSA-N 1 0 363.421 2.903 20 5 FFBDRO COc1c(O)ccc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000892235102 966349417 /nfs/dbraw/zinc/34/94/17/966349417.db2.gz KURCJILEVCUBLG-BBRMVZONSA-N 1 0 361.442 2.758 20 5 FFBDRO CCOc1cc(C[NH+]2CCC(Cc3nncn3C)CC2)ccc1[N+](=O)[O-] ZINC001176295006 1013666226 /nfs/dbraw/zinc/66/62/26/1013666226.db2.gz KLWDNHMUGVNXJM-UHFFFAOYSA-N 1 0 359.430 2.577 20 5 FFBDRO CC(C)(C)OC(=O)C1(Nc2cnc(F)c([N+](=O)[O-])c2)CCC([NH3+])CC1 ZINC001167643376 967126661 /nfs/dbraw/zinc/12/66/61/967126661.db2.gz BFNTYAKNXNEONL-UHFFFAOYSA-N 1 0 354.382 2.523 20 5 FFBDRO C[NH+](C)CCOc1ccccc1CNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000161591418 967336012 /nfs/dbraw/zinc/33/60/12/967336012.db2.gz PSWRWGYCGSSOGG-UHFFFAOYSA-N 1 0 361.373 2.604 20 5 FFBDRO C[N@H+](Cc1cccc2ccccc21)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985426175 974054144 /nfs/dbraw/zinc/05/41/44/974054144.db2.gz MPHAAXKAQHWCSL-WOJBJXKFSA-N 1 0 367.449 2.928 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC1CC[NH+](C2CCOCC2)CC1 ZINC000898636542 976582305 /nfs/dbraw/zinc/58/23/05/976582305.db2.gz FGWGZQSEKGYPTK-UHFFFAOYSA-N 1 0 361.442 2.585 20 5 FFBDRO O=C(/C=C/[C@H]1CCC[NH2+]C1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000876681244 1014350694 /nfs/dbraw/zinc/35/06/94/1014350694.db2.gz NPQKZQIXAWLLTC-WEJQMCOXSA-N 1 0 359.426 2.520 20 5 FFBDRO Cc1cccc(C)c1C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@]2(C)C1 ZINC000982278954 977375678 /nfs/dbraw/zinc/37/56/78/977375678.db2.gz UWMHGNCZAAGZQQ-DWIQEWEKSA-N 1 0 371.481 2.639 20 5 FFBDRO C[C@]([NH3+])(C(=O)N[C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21)c1cccc([N+](=O)[O-])c1 ZINC000876993667 1014442817 /nfs/dbraw/zinc/44/28/17/1014442817.db2.gz MSHXQFOYIWXSMD-SFNKJDCFSA-N 1 0 371.824 2.877 20 5 FFBDRO C[C@]([NH3+])(C(=O)N[C@@H]1[C@H]2Cc3c(cccc3Cl)[C@@H]12)c1cccc([N+](=O)[O-])c1 ZINC000877060447 1014464614 /nfs/dbraw/zinc/46/46/14/1014464614.db2.gz XPWSOOAVFLZIOG-KNIMUDFMSA-N 1 0 371.824 2.877 20 5 FFBDRO Cn1c(CCC[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)nc2ccccc21 ZINC000877153038 1014491297 /nfs/dbraw/zinc/49/12/97/1014491297.db2.gz SGMSFFQACRQWPC-UHFFFAOYSA-N 1 0 354.414 2.604 20 5 FFBDRO O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000877329093 1014550204 /nfs/dbraw/zinc/55/02/04/1014550204.db2.gz QROXSHFQJFYPKL-MRXNPFEDSA-N 1 0 369.421 2.637 20 5 FFBDRO NC(=O)c1ccccc1N1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000783627702 979348688 /nfs/dbraw/zinc/34/86/88/979348688.db2.gz HLYOKGTUKKFZOG-ZDUSSCGKSA-N 1 0 374.828 2.716 20 5 FFBDRO O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000877398975 1014573212 /nfs/dbraw/zinc/57/32/12/1014573212.db2.gz PXBHGMILBTYTMB-UGKGYDQZSA-N 1 0 361.445 2.556 20 5 FFBDRO CCc1ccc(C[N@H+](C)CC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1 ZINC001029964770 980156301 /nfs/dbraw/zinc/15/63/01/980156301.db2.gz YNJXZGOCYFQJNC-RTBURBONSA-N 1 0 359.470 2.585 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@@H]3C[C@H]3C3CCOCC3)CC2)cn1 ZINC000877729795 1014700701 /nfs/dbraw/zinc/70/07/01/1014700701.db2.gz ACIRKWWNYTWQDQ-YJBOKZPZSA-N 1 0 360.458 2.611 20 5 FFBDRO CC(C)[NH2+]C1(CO)CCN(C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000908600790 981473708 /nfs/dbraw/zinc/47/37/08/981473708.db2.gz SYHFUYCJACOBFY-UHFFFAOYSA-N 1 0 363.458 2.683 20 5 FFBDRO C[NH+](C)[C@H]1C[C@H](NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)C12CCC2 ZINC001168337069 982977221 /nfs/dbraw/zinc/97/72/21/982977221.db2.gz DIKXMPSMXCHBJZ-QWRGUYRKSA-N 1 0 370.812 2.572 20 5 FFBDRO Cc1c(CO)cc([N+](=O)[O-])c(NCCC[N@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000796455739 1015004767 /nfs/dbraw/zinc/00/47/67/1015004767.db2.gz MXKYHNFFEVHYFT-LBPRGKRZSA-N 1 0 366.418 2.980 20 5 FFBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000151180358 984204043 /nfs/dbraw/zinc/20/40/43/984204043.db2.gz RSTUKNHIIALUGL-QGZVFWFLSA-N 1 0 374.485 2.997 20 5 FFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([NH2+]Cc2cccc3ccccc32)CC1 ZINC000996428885 984352990 /nfs/dbraw/zinc/35/29/90/984352990.db2.gz KPTUUWRBTFGWCW-RTBURBONSA-N 1 0 353.422 2.586 20 5 FFBDRO O=C(NC1CC[NH+](Cc2ccc(C3CCC3)cc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001002787896 987477114 /nfs/dbraw/zinc/47/71/14/987477114.db2.gz KUPAYMXFXHQXKQ-RTBURBONSA-N 1 0 357.454 2.700 20 5 FFBDRO C[C@@H]1C[C@H]1c1ccc(C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C2CC2)o1 ZINC000252480798 988116103 /nfs/dbraw/zinc/11/61/03/988116103.db2.gz FSMPWCOSJHILKC-SRCQZFHVSA-N 1 0 360.414 2.533 20 5 FFBDRO Cc1cc(NC(=O)N2CCC[C@H]([NH2+]C3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000879123605 1015373654 /nfs/dbraw/zinc/37/36/54/1015373654.db2.gz MUQCBESVFLZSPR-INIZCTEOSA-N 1 0 362.430 2.668 20 5 FFBDRO C[NH+](C)CCOc1cc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)ccn1 ZINC000763258268 989345229 /nfs/dbraw/zinc/34/52/29/989345229.db2.gz UHFOBRZYJOVGMF-VMPITWQZSA-N 1 0 356.382 2.582 20 5 FFBDRO CC(C)Oc1cccc(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000917138055 990154257 /nfs/dbraw/zinc/15/42/57/990154257.db2.gz SALYXSPKFAHRGE-QGZVFWFLSA-N 1 0 360.410 2.912 20 5 FFBDRO Cc1ccc(C)c(C[NH2+]Cc2ccc(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cc2)c1 ZINC001034815722 990274590 /nfs/dbraw/zinc/27/45/90/990274590.db2.gz CHCQSWZJOOEFMH-WOJBJXKFSA-N 1 0 367.449 2.875 20 5 FFBDRO Cc1ccc(C[NH2+]Cc2ccc(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cc2)cc1F ZINC001034815742 990275240 /nfs/dbraw/zinc/27/52/40/990275240.db2.gz DFXNMLFABNYETD-IEBWSBKVSA-N 1 0 371.412 2.705 20 5 FFBDRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)c2cc(F)ccc2[N+](=O)[O-])cc1 ZINC000154937162 990600442 /nfs/dbraw/zinc/60/04/42/990600442.db2.gz HRCHJRKDKGRCBS-UHFFFAOYSA-N 1 0 374.372 2.876 20 5 FFBDRO COc1cccc([C@@H]2CN(Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)CC[NH2+]2)c1 ZINC000879524838 1015574547 /nfs/dbraw/zinc/57/45/47/1015574547.db2.gz QFNMMOFMTKWDPR-SFHVURJKSA-N 1 0 367.409 2.626 20 5 FFBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)OCc1cccnc1[N+](=O)[O-] ZINC000923853439 990972703 /nfs/dbraw/zinc/97/27/03/990972703.db2.gz YDKRYZRHFPHGHH-WMLDXEAASA-N 1 0 355.394 2.801 20 5 FFBDRO Cc1ccc(NCCCNC(=O)C[C@@H]([NH3+])c2ccccc2)c([N+](=O)[O-])c1 ZINC000237667256 991300065 /nfs/dbraw/zinc/30/00/65/991300065.db2.gz WSOBKYIPMLRHFU-MRXNPFEDSA-N 1 0 356.426 2.912 20 5 FFBDRO CCCC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)CC1 ZINC000068443387 991432147 /nfs/dbraw/zinc/43/21/47/991432147.db2.gz CWIIPCRLNBBFBN-UHFFFAOYSA-N 1 0 364.402 2.806 20 5 FFBDRO Cc1cc(C(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c(N)c([N+](=O)[O-])c1 ZINC000068548614 991465638 /nfs/dbraw/zinc/46/56/38/991465638.db2.gz FJBJBKRRQMKWFE-HUUCEWRRSA-N 1 0 362.474 2.973 20 5 FFBDRO Cc1cncc([C@H]2CCC[N@@H+]2C[C@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000879749199 1015665228 /nfs/dbraw/zinc/66/52/28/1015665228.db2.gz UIVJIZHADFMKGF-PKOBYXMFSA-N 1 0 357.410 2.875 20 5 FFBDRO CC(=O)Nc1ccc2c(c1)C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000880032066 1015738279 /nfs/dbraw/zinc/73/82/79/1015738279.db2.gz YIKNRRZIGDYMGS-LJQANCHMSA-N 1 0 355.394 2.645 20 5 FFBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000072500987 993123211 /nfs/dbraw/zinc/12/32/11/993123211.db2.gz JTRLBKAOFYWLPU-MRXNPFEDSA-N 1 0 360.458 2.799 20 5 FFBDRO C[C@H](OC(=O)c1ccnc(OCC[NH+](C)C)c1)c1ccccc1[N+](=O)[O-] ZINC001132753374 995107285 /nfs/dbraw/zinc/10/72/85/995107285.db2.gz UDZOWRRGZSGCFB-ZDUSSCGKSA-N 1 0 359.382 2.848 20 5 FFBDRO COc1cc(CN[C@@H]2CC[NH2+]C23CCCC3)c([N+](=O)[O-])cc1OC(F)F ZINC000903485126 1015926438 /nfs/dbraw/zinc/92/64/38/1015926438.db2.gz ITEYTSQMDSGMHU-OAHLLOKOSA-N 1 0 371.384 2.969 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ncn(C[N@@H+]3CCC[C@H]([C@@H]4CCOC4)C3)n2)cc1 ZINC000747832283 995596064 /nfs/dbraw/zinc/59/60/64/995596064.db2.gz PAFWYKOXLZZKJV-JKSUJKDBSA-N 1 0 357.414 2.559 20 5 FFBDRO O=C(NCc1ccc2c(c1)C[N@@H+](CCc1ccccc1)C2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001054264903 1015996041 /nfs/dbraw/zinc/99/60/41/1015996041.db2.gz VTYNJDINIOLUTE-WOJBJXKFSA-N 1 0 365.433 2.526 20 5 FFBDRO Nc1ccc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1[N+](=O)[O-] ZINC000823972907 996770171 /nfs/dbraw/zinc/77/01/71/996770171.db2.gz BEFQSXRBSWAFPD-MLGOLLRUSA-N 1 0 359.430 2.658 20 5 FFBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)CC1 ZINC000825188738 997265380 /nfs/dbraw/zinc/26/53/80/997265380.db2.gz NVDQIBKZOQFJTI-CABCVRRESA-N 1 0 360.458 2.688 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C(=O)N(C)c2ccc(OCC[NH+](C)C)cc2)c1 ZINC000732007119 998393383 /nfs/dbraw/zinc/39/33/83/998393383.db2.gz LJRAWAXMOOXPHF-UHFFFAOYSA-N 1 0 373.409 2.820 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000803858045 1016247097 /nfs/dbraw/zinc/24/70/97/1016247097.db2.gz BVCSCVSDDLJCMT-CQSZACIVSA-N 1 0 363.414 2.649 20 5 FFBDRO COc1cccc(C(=O)NC2CCC3(CC2)CC[NH+](C)CC3)c1[N+](=O)[O-] ZINC000824798481 999264208 /nfs/dbraw/zinc/26/42/08/999264208.db2.gz NCUQHLHABJFSFI-UHFFFAOYSA-N 1 0 361.442 2.988 20 5 FFBDRO O=C(NCC1CC[NH+](C2CC2)CC1)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000828139820 999556090 /nfs/dbraw/zinc/55/60/90/999556090.db2.gz LQWLMCVFNFGMCR-UHFFFAOYSA-N 1 0 355.797 2.992 20 5 FFBDRO O=C(C[N@@H+]1CCC[C@H]2CCC[C@H]21)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000744407312 999855725 /nfs/dbraw/zinc/85/57/25/999855725.db2.gz SOYKJRGVVYGDIX-VQIMIIECSA-N 1 0 372.469 2.508 20 5 FFBDRO CC(C)(C)OC(=O)N1CC[C@]2([NH2+][C@H]3CC[C@@H](C[N+](=O)[O-])C3)CCC[C@H]12 ZINC001168956164 1000012627 /nfs/dbraw/zinc/01/26/27/1000012627.db2.gz AEODVQLWLNCBTJ-LDDOYCOJSA-N 1 0 353.463 2.954 20 5 FFBDRO CC(C)(C)OC(=O)N1C[C@H]2[C@H](CC[C@@H]2[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168965093 1000013359 /nfs/dbraw/zinc/01/33/59/1000013359.db2.gz XZFGLOCNLZTEEX-QRJUGERDSA-N 1 0 353.463 2.667 20 5 FFBDRO CC(C)(C)OC(=O)N1C[C@@H]2[C@H]([NH2+][C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC[C@@H]2C1 ZINC001168965094 1000013363 /nfs/dbraw/zinc/01/33/63/1000013363.db2.gz XZFGLOCNLZTEEX-RBGFHDKUSA-N 1 0 353.463 2.667 20 5 FFBDRO CC(C)(C)OC(=O)N1C[C@H]([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC(F)(F)C1 ZINC001168971388 1000013533 /nfs/dbraw/zinc/01/35/33/1000013533.db2.gz KBWRPDRNOGBISQ-JHJVBQTASA-N 1 0 363.405 2.666 20 5 FFBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H](CCO)c2cccc(Br)c2)C1 ZINC001168993633 1000014005 /nfs/dbraw/zinc/01/40/05/1000014005.db2.gz NZJYBCXPQUXCHL-KCPJHIHWSA-N 1 0 357.248 2.908 20 5 FFBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C2CCN(Cc3cc(F)cc(F)c3)CC2)C1 ZINC001168990669 1000016099 /nfs/dbraw/zinc/01/60/99/1000016099.db2.gz CZOVTOMACAEAFV-FZKQIMNGSA-N 1 0 353.413 2.964 20 5 FFBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C[C@H](c2ccccc2Cl)N2CCOCC2)C1 ZINC001168989995 1000016135 /nfs/dbraw/zinc/01/61/35/1000016135.db2.gz AHQVFBLQSUEXHP-RVKKMQEKSA-N 1 0 367.877 2.748 20 5 FFBDRO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@H]2C1 ZINC001169035775 1000016712 /nfs/dbraw/zinc/01/67/12/1000016712.db2.gz LUDXHXDUPPEMQQ-KLHDSHLOSA-N 1 0 353.463 2.621 20 5 FFBDRO O=C1OC[C@@H]2[C@H]([N@@H+](Cc3ccccc3)[C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CCCN12 ZINC001169038579 1000017051 /nfs/dbraw/zinc/01/70/51/1000017051.db2.gz ZTBKLFBDOODUJR-NCXUSEDFSA-N 1 0 373.453 2.917 20 5 FFBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCC3(CCN(c4ncccn4)CC3)CC2)C1 ZINC001169018912 1000017148 /nfs/dbraw/zinc/01/71/48/1000017148.db2.gz DIZZPIASWKNXKR-DLBZAZTESA-N 1 0 359.474 2.604 20 5 FFBDRO CCOC[C@@H]1C[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)Cc2cn(CC3CC3)nc21 ZINC001169021691 1000017614 /nfs/dbraw/zinc/01/76/14/1000017614.db2.gz PKYVTVNDSHDRPA-RYQLBKOJSA-N 1 0 362.474 2.674 20 5 FFBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCC[C@@]3(C[C@H](Oc4cccnc4)CO3)C2)C1 ZINC001169026218 1000018227 /nfs/dbraw/zinc/01/82/27/1000018227.db2.gz VYDZSLOGBDCAFH-KCITZHQASA-N 1 0 361.442 2.529 20 5 FFBDRO CS(=O)(=O)c1cccc([C@@H]2CCC[N@@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C2)c1 ZINC001169046924 1000018437 /nfs/dbraw/zinc/01/84/37/1000018437.db2.gz OLCBYTPVVWIEOR-USXIJHARSA-N 1 0 366.483 2.715 20 5 FFBDRO O=C1Nc2ccccc2CN1[C@H]1CCC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169051371 1000019049 /nfs/dbraw/zinc/01/90/49/1000019049.db2.gz DNPVAYOLAKCQJJ-UAGQMJEPSA-N 1 0 358.442 2.944 20 5 FFBDRO [NH3+]CCc1cn(-c2nccnc2[N+](=O)[O-])c2cc(OC(F)(F)F)ccc12 ZINC001169606652 1000061874 /nfs/dbraw/zinc/06/18/74/1000061874.db2.gz FYUVKDJBBJYIRJ-UHFFFAOYSA-N 1 0 367.287 2.729 20 5 FFBDRO CC[C@H]([NH2+]CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[C@@H]1CC1(C)C ZINC001171285911 1000761597 /nfs/dbraw/zinc/76/15/97/1000761597.db2.gz FXMUBBFKMWIOJB-ROUUACIJSA-N 1 0 374.485 2.658 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)C1 ZINC001147148015 1000833238 /nfs/dbraw/zinc/83/32/38/1000833238.db2.gz XCDBKFNROXDPOE-VIFPVBQESA-N 1 0 372.828 2.820 20 5 FFBDRO Cc1ccc(NCCCNC(=O)[C@@H]2CCC[N@@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC001147337675 1000873524 /nfs/dbraw/zinc/87/35/24/1000873524.db2.gz UVICYQXIKDMKSX-MRXNPFEDSA-N 1 0 362.474 2.942 20 5 FFBDRO Cc1ccc(NCCCNC(=O)C[N@@H+](C)CC(C)(C)C)c([N+](=O)[O-])c1 ZINC001147337650 1000873534 /nfs/dbraw/zinc/87/35/34/1000873534.db2.gz UHKQAUJBBGLPBI-UHFFFAOYSA-N 1 0 350.463 2.799 20 5 FFBDRO C[NH+](C)[C@@H](CNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1)c1ccccc1 ZINC000771499548 1001130197 /nfs/dbraw/zinc/13/01/97/1001130197.db2.gz AQRBMINGQGTCQG-HNNXBMFYSA-N 1 0 371.422 2.632 20 5 FFBDRO CC[NH+]1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3N)cc2)CC1 ZINC000786702315 1001617842 /nfs/dbraw/zinc/61/78/42/1001617842.db2.gz ILNMEKNEPMIHBQ-UHFFFAOYSA-N 1 0 369.425 2.571 20 5 FFBDRO C[C@@H](CNC(=O)OC(C)(C)C)[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000774381436 1001884112 /nfs/dbraw/zinc/88/41/12/1001884112.db2.gz OBGCHCKTJPWMIA-IHRRRGAJSA-N 1 0 367.450 2.778 20 5 FFBDRO Cc1ccc([C@H](O)C[NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000774492220 1001930150 /nfs/dbraw/zinc/93/01/50/1001930150.db2.gz PAHSCHUXUFBPSW-RDTXWAMCSA-N 1 0 357.410 2.944 20 5 FFBDRO CCc1ccc(S(=O)(=O)NCC(C)(C)[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC001185001109 1002785503 /nfs/dbraw/zinc/78/55/03/1002785503.db2.gz GLHICIJTWCCCPI-UHFFFAOYSA-N 1 0 369.487 2.700 20 5 FFBDRO O=C(OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1ccc2c[nH+]cn2c1 ZINC000792549902 1003030377 /nfs/dbraw/zinc/03/03/77/1003030377.db2.gz HDBHERAFCNIUJV-UHFFFAOYSA-N 1 0 365.305 2.650 20 5 FFBDRO COC(=O)[C@H](CCc1ccccc1)Nc1cc2c(cc1[N+](=O)[O-])C[NH2+]C2 ZINC001170175068 1003031160 /nfs/dbraw/zinc/03/11/60/1003031160.db2.gz LIKCPTYXZNSKOV-INIZCTEOSA-N 1 0 355.394 2.784 20 5 FFBDRO COc1ccc(C[C@H](C)[NH2+]CCC(=O)NCc2ccccc2)c([N+](=O)[O-])c1 ZINC001170305801 1003095145 /nfs/dbraw/zinc/09/51/45/1003095145.db2.gz PVUABNSNPLJMQV-HNNXBMFYSA-N 1 0 371.437 2.831 20 5 FFBDRO CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNc2ccc([N+](=O)[O-])cc2C(F)(F)F)O1 ZINC001170277842 1003096367 /nfs/dbraw/zinc/09/63/67/1003096367.db2.gz SMVYKZWUBMAATK-MCIONIFRSA-N 1 0 363.336 2.750 20 5 FFBDRO CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNc2cc(Cl)ccc2/C=C/[N+](=O)[O-])O1 ZINC001170284681 1003100455 /nfs/dbraw/zinc/10/04/55/1003100455.db2.gz TUAIAVBITMYMSA-YEHCYSSBSA-N 1 0 355.822 2.724 20 5 FFBDRO CCC(=O)N(C)C1CC[NH+]([C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC001170354839 1003122759 /nfs/dbraw/zinc/12/27/59/1003122759.db2.gz QBUUHMQDBZCRSD-CQSZACIVSA-N 1 0 363.458 2.867 20 5 FFBDRO CCOC(=O)C1(F)CC[NH+]([C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC001170342698 1003129609 /nfs/dbraw/zinc/12/96/09/1003129609.db2.gz NFEAMDACXUHQKM-ZDUSSCGKSA-N 1 0 368.405 2.902 20 5 FFBDRO CC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000775678960 1003633758 /nfs/dbraw/zinc/63/37/58/1003633758.db2.gz WYOHTLQQBAVKHM-VQIMIIECSA-N 1 0 374.485 2.802 20 5 FFBDRO CC(C)(C)OC(=O)NCC[C@@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000805765708 1004138327 /nfs/dbraw/zinc/13/83/27/1004138327.db2.gz XYLOFYYHJHOZNZ-AWEZNQCLSA-N 1 0 367.450 2.561 20 5 FFBDRO CN(CC[NH3+])CCNc1ccc2ccc3ccc(Br)nc3c2n1 ZINC001170502684 1004269200 /nfs/dbraw/zinc/26/92/00/1004269200.db2.gz IYFJBZROEHIZIG-UHFFFAOYSA-N 1 0 374.286 2.848 20 5 FFBDRO CCOC(=O)C1C[NH2+]CCC1=Nc1nc(-c2ccccc2)ccc1[N+](=O)[O-] ZINC001170513918 1004452799 /nfs/dbraw/zinc/45/27/99/1004452799.db2.gz ICYQUZPAHOKRNL-UHFFFAOYSA-N 1 0 368.393 2.879 20 5 FFBDRO COC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000775819789 1004485314 /nfs/dbraw/zinc/48/53/14/1004485314.db2.gz QSYLQFCYWVUOMW-VXGBXAGGSA-N 1 0 369.393 2.699 20 5 FFBDRO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@H]2c2ccnn2C)c([N+](=O)[O-])c1 ZINC001198157738 1004515095 /nfs/dbraw/zinc/51/50/95/1004515095.db2.gz TVHOXGWGDFOCSP-INIZCTEOSA-N 1 0 373.413 2.503 20 5 FFBDRO CC(=O)NCC[C@@H]1CCC[N@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000808216318 1004777272 /nfs/dbraw/zinc/77/72/72/1004777272.db2.gz APIAIYPMBWIBHG-INIZCTEOSA-N 1 0 371.441 2.654 20 5 FFBDRO C[N@H+](CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1C=CCCCCC1 ZINC001195488050 1004975668 /nfs/dbraw/zinc/97/56/68/1004975668.db2.gz NTNLNXIBMHFKCB-HNNXBMFYSA-N 1 0 367.471 2.694 20 5 FFBDRO CC(=O)Nc1cccc2c1CC[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000776274230 1005340278 /nfs/dbraw/zinc/34/02/78/1005340278.db2.gz CGXSZUOOFXCHIE-LJQANCHMSA-N 1 0 355.394 2.645 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2C[C@H]3CN(c4ccccc4)C[C@H]3C2)cc1 ZINC000776279509 1005345744 /nfs/dbraw/zinc/34/57/44/1005345744.db2.gz XUVMBOVTWRNKKD-QKLQHJQFSA-N 1 0 353.422 2.696 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)CN2CCC([NH2+]Cc3ccccc3)CC2)cc1 ZINC000852117343 1005942670 /nfs/dbraw/zinc/94/26/70/1005942670.db2.gz YWVGLHMQERUHMX-FQEVSTJZSA-N 1 0 355.438 2.882 20 5 FFBDRO CNC(=O)c1ccc(C[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000776574796 1005953857 /nfs/dbraw/zinc/95/38/57/1005953857.db2.gz LQRLWUXOZMQJAL-LJQANCHMSA-N 1 0 369.421 2.652 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC[C@@H](c3nnc4ccccn43)C2)cc1 ZINC000776584279 1005954794 /nfs/dbraw/zinc/95/47/94/1005954794.db2.gz KAZOSAJAJKXDFE-NVXWUHKLSA-N 1 0 367.409 2.551 20 5 FFBDRO O=C(c1ccc(O)cc1)C1CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776586250 1005955692 /nfs/dbraw/zinc/95/56/92/1005955692.db2.gz LUCMRUKODVTDCX-IBGZPJMESA-N 1 0 370.405 2.929 20 5 FFBDRO Cc1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)c(N)c([N+](=O)[O-])c1 ZINC000813828102 1006047058 /nfs/dbraw/zinc/04/70/58/1006047058.db2.gz ZOUUWSJRDVILMR-WMLDXEAASA-N 1 0 368.437 2.878 20 5 FFBDRO COC(=O)[C@@H]1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@H]2CCCC[C@@H]12 ZINC000852497650 1006056045 /nfs/dbraw/zinc/05/60/45/1006056045.db2.gz XHRRMYZCUHZKEY-MHORFTMASA-N 1 0 362.426 2.682 20 5 FFBDRO O=[N+]([O-])c1ccnn1CN1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000814225271 1006215855 /nfs/dbraw/zinc/21/58/55/1006215855.db2.gz QIDGFVKESVEBDP-UHFFFAOYSA-N 1 0 355.442 2.737 20 5 FFBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000110991793 1006247011 /nfs/dbraw/zinc/24/70/11/1006247011.db2.gz UJGWOKUOEMPRBL-ZDUSSCGKSA-N 1 0 364.402 2.724 20 5 FFBDRO O=[N+]([O-])c1ccc2c(ccnc2N2CCC[C@H]([NH2+]C3CCOCC3)C2)c1 ZINC000882726769 1006489907 /nfs/dbraw/zinc/48/99/07/1006489907.db2.gz BUXOTJRCBNLJHH-INIZCTEOSA-N 1 0 356.426 2.880 20 5 FFBDRO O=[N+]([O-])c1cnc2ccccc2c1N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000882726879 1006489965 /nfs/dbraw/zinc/48/99/65/1006489965.db2.gz FQTHCPZAZBAWTI-OAHLLOKOSA-N 1 0 356.426 2.880 20 5 FFBDRO CCC1([NH+]2CCCCC2)CCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000882817083 1006516722 /nfs/dbraw/zinc/51/67/22/1006516722.db2.gz NCKDBUXELDXRDK-UHFFFAOYSA-N 1 0 358.446 2.872 20 5 FFBDRO O=[N+]([O-])c1ccc(NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)c([N+](=O)[O-])c1 ZINC000853793871 1006538901 /nfs/dbraw/zinc/53/89/01/1006538901.db2.gz BIKVTYROJIAMOV-MRXNPFEDSA-N 1 0 372.381 2.682 20 5 FFBDRO OC[C@@H]1C[NH2+]C[C@H]1Nc1ccc2ccc3ccc(Br)nc3c2n1 ZINC001170779480 1006553312 /nfs/dbraw/zinc/55/33/12/1006553312.db2.gz CTTPIGSVHQMSBC-QWHCGFSZSA-N 1 0 373.254 2.538 20 5 FFBDRO O=[N+]([O-])c1c(F)nccc1NCCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000882941386 1006568814 /nfs/dbraw/zinc/56/88/14/1006568814.db2.gz PTRGWFJPBRSQFD-UHFFFAOYSA-N 1 0 374.416 2.958 20 5 FFBDRO COCC(=O)Nc1cccc(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000815556306 1006682605 /nfs/dbraw/zinc/68/26/05/1006682605.db2.gz SFGWZHOTALGBOG-LBPRGKRZSA-N 1 0 358.398 2.613 20 5 FFBDRO C[C@H]([NH2+]C[C@H](O)COc1ccc(F)c(F)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815577299 1006693741 /nfs/dbraw/zinc/69/37/41/1006693741.db2.gz MFMRYSXTQUHTOG-JQWIXIFHSA-N 1 0 367.352 2.546 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)c1C ZINC000884342847 1007385554 /nfs/dbraw/zinc/38/55/54/1007385554.db2.gz LMAWUUZTZNUCOI-WBVHZDCISA-N 1 0 361.442 2.570 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c1C ZINC000884382479 1007403887 /nfs/dbraw/zinc/40/38/87/1007403887.db2.gz KCFKDWGABQPBFF-ZOBUZTSGSA-N 1 0 361.442 2.570 20 5 FFBDRO CC[C@@]([NH3+])(CO)Nc1nnc(-c2ccccc2[N+](=O)[O-])cc1C(F)(F)F ZINC001170860053 1007547057 /nfs/dbraw/zinc/54/70/57/1007547057.db2.gz USOCWHSAELYNBM-AWEZNQCLSA-N 1 0 371.319 2.540 20 5 FFBDRO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000856412861 1007813290 /nfs/dbraw/zinc/81/32/90/1007813290.db2.gz YUKYNUSVQRBPOO-IEODJVTJSA-N 1 0 373.453 2.710 20 5 FFBDRO C[NH+](C)C[C@H]1COC2(CCCC2)CN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000856412860 1007813955 /nfs/dbraw/zinc/81/39/55/1007813955.db2.gz YUKYNUSVQRBPOO-HKMNZKMDSA-N 1 0 373.453 2.710 20 5 FFBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)CC1 ZINC000818008852 1007851510 /nfs/dbraw/zinc/85/15/10/1007851510.db2.gz KBFUMAJRVBCKMC-HOTGVXAUSA-N 1 0 374.485 2.888 20 5 FFBDRO CC(C)[N@H+](C)Cc1cc(O[C@H]2CCN(c3cccnc3[N+](=O)[O-])C2)ccn1 ZINC000856536412 1007875942 /nfs/dbraw/zinc/87/59/42/1007875942.db2.gz SQDZVGAHVYHXCF-KRWDZBQOSA-N 1 0 371.441 2.883 20 5 FFBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CC[C@](C)(C[NH3+])C2)CC1 ZINC000818593901 1007961526 /nfs/dbraw/zinc/96/15/26/1007961526.db2.gz RJBBMTGKBXEROK-LJQANCHMSA-N 1 0 360.458 2.642 20 5 FFBDRO COC(=O)c1ccnc(NC2CCC([NH+]3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000856734139 1007963128 /nfs/dbraw/zinc/96/31/28/1007963128.db2.gz MMCPXJIMAOQBKL-UHFFFAOYSA-N 1 0 362.430 2.985 20 5 FFBDRO CCCNC(=O)c1cccc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000818960045 1007978904 /nfs/dbraw/zinc/97/89/04/1007978904.db2.gz ADUKEAKIDURKDR-SFHVURJKSA-N 1 0 357.410 2.558 20 5 FFBDRO O=C1CCCN1c1ccc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000818942927 1007987203 /nfs/dbraw/zinc/98/72/03/1007987203.db2.gz MSRKICXNKJEOPA-GOSISDBHSA-N 1 0 355.394 2.545 20 5 FFBDRO CC(C)NC(=O)Nc1ccc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000818955607 1007993001 /nfs/dbraw/zinc/99/30/01/1007993001.db2.gz BLYDYINROHDWFT-SFHVURJKSA-N 1 0 372.425 2.948 20 5 FFBDRO CC(C)NC(=O)Nc1ccc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000818955606 1007993074 /nfs/dbraw/zinc/99/30/74/1007993074.db2.gz BLYDYINROHDWFT-GOSISDBHSA-N 1 0 372.425 2.948 20 5 FFBDRO CC(C)(C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCCO2 ZINC000818984553 1008000617 /nfs/dbraw/zinc/00/06/17/1008000617.db2.gz BZNDTSHHDYJLPV-KRWDZBQOSA-N 1 0 372.421 2.967 20 5 FFBDRO CC(C)[C@H](C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)NC(=O)OC(C)(C)C ZINC000819077389 1008038833 /nfs/dbraw/zinc/03/88/33/1008038833.db2.gz KFWJIUYGUMSENP-JKSUJKDBSA-N 1 0 367.446 2.767 20 5 FFBDRO COc1ccccc1N1CC[C@@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000819152020 1008044540 /nfs/dbraw/zinc/04/45/40/1008044540.db2.gz KETNDMIKJMKRSB-CRAIPNDOSA-N 1 0 357.410 2.505 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCOc2ncccc2C(F)(F)F)cc1 ZINC000819183714 1008060295 /nfs/dbraw/zinc/06/02/95/1008060295.db2.gz QVLOCLHWUQNMCC-AWEZNQCLSA-N 1 0 371.315 2.711 20 5 FFBDRO COc1ccccc1OC[C@H](C)C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819196443 1008064115 /nfs/dbraw/zinc/06/41/15/1008064115.db2.gz RCXQTHCIKDRWAA-PBHICJAKSA-N 1 0 360.410 2.942 20 5 FFBDRO CC(C)(C)OC(=O)N[C@H](C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000819198282 1008065207 /nfs/dbraw/zinc/06/52/07/1008065207.db2.gz QMFZVIHRAMNGIT-CVEARBPZSA-N 1 0 365.430 2.521 20 5 FFBDRO Cc1ccc(C2=NO[C@@H](C[NH2+]C[C@H](O)c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000819292665 1008084371 /nfs/dbraw/zinc/08/43/71/1008084371.db2.gz VMUUGWWRGDZSJD-MJGOQNOKSA-N 1 0 355.394 2.719 20 5 FFBDRO CC[NH+]1CCN(c2ccc(NC[C@H](O)c3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC000819396015 1008114600 /nfs/dbraw/zinc/11/46/00/1008114600.db2.gz VWIMMTPMDGRPKU-FQEVSTJZSA-N 1 0 370.453 2.882 20 5 FFBDRO Cc1ccc(O[C@H]2CCN(Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)nc1 ZINC000858040486 1008286254 /nfs/dbraw/zinc/28/62/54/1008286254.db2.gz OMBPELVIQATLKG-AWEZNQCLSA-N 1 0 353.382 2.828 20 5 FFBDRO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC001136339091 1008332048 /nfs/dbraw/zinc/33/20/48/1008332048.db2.gz QTCHZOUPSNEQLE-OAHLLOKOSA-N 1 0 359.401 2.945 20 5 FFBDRO CCOC(=O)C1=CC[C@@H]([NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000858504157 1008370983 /nfs/dbraw/zinc/37/09/83/1008370983.db2.gz MDZCGNHAGJTSBR-SWLSCSKDSA-N 1 0 361.398 2.553 20 5 FFBDRO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@](O)(c3ccccc3)C2)c2c(c1)COCO2 ZINC000859585454 1008575576 /nfs/dbraw/zinc/57/55/76/1008575576.db2.gz QNYGIMVKPPVLDO-HXUWFJFHSA-N 1 0 370.405 2.945 20 5 FFBDRO C[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C[C@@](C)(O)c1ccccc1 ZINC000822515783 1008664901 /nfs/dbraw/zinc/66/49/01/1008664901.db2.gz FVRJTBLUUXXEMB-LJQANCHMSA-N 1 0 358.394 2.801 20 5 FFBDRO COC1CC[NH+](CCNC(=O)c2cc([N+](=O)[O-])cc3ccccc32)CC1 ZINC000859939618 1008730373 /nfs/dbraw/zinc/73/03/73/1008730373.db2.gz MGYVYLMBTWJQAC-UHFFFAOYSA-N 1 0 357.410 2.589 20 5 FFBDRO COC(=O)[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H]2CCC[C@H]21 ZINC000859955037 1008744056 /nfs/dbraw/zinc/74/40/56/1008744056.db2.gz RQOMFMINLJHDBN-ZNMIVQPWSA-N 1 0 363.370 2.667 20 5 FFBDRO Cc1ccc(F)c(C[NH2+]CCCCCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001178464497 1008998305 /nfs/dbraw/zinc/99/83/05/1008998305.db2.gz UGSNWZLBPSVYSR-NVXWUHKLSA-N 1 0 351.422 2.566 20 5 FFBDRO COc1ccc(OCC[N@H+](C)C[C@](C)(O)c2ccccc2)c([N+](=O)[O-])c1 ZINC000823591434 1009127944 /nfs/dbraw/zinc/12/79/44/1009127944.db2.gz LFNISOQJVCJNAT-IBGZPJMESA-N 1 0 360.410 2.822 20 5 FFBDRO COc1cccc([C@H](CNC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)[NH+](C)C)c1 ZINC000824008553 1009292685 /nfs/dbraw/zinc/29/26/85/1009292685.db2.gz QJUAALGLPSRMQV-KRWDZBQOSA-N 1 0 373.413 2.610 20 5 FFBDRO C/C(=C/C(=O)N1CCC([N@@H+]2CCCOCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000861985020 1009647161 /nfs/dbraw/zinc/64/71/61/1009647161.db2.gz QQRCMXBTBCZAFH-NXVVXOECSA-N 1 0 373.453 2.711 20 5 FFBDRO C[C@@H]1C[C@H](N(C)C(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)CC[N@@H+]1C ZINC000889164066 1009846064 /nfs/dbraw/zinc/84/60/64/1009846064.db2.gz XFSDFHNIPOHGDK-TZMCWYRMSA-N 1 0 356.426 2.885 20 5 FFBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)CCNC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000794464415 1010044497 /nfs/dbraw/zinc/04/44/97/1010044497.db2.gz PFYYSIPXTRKYMR-UKRRQHHQSA-N 1 0 367.446 2.830 20 5 FFBDRO CCOC(=O)N1CCC(C)(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])CC1 ZINC001181554684 1010147497 /nfs/dbraw/zinc/14/74/97/1010147497.db2.gz DZYDULRVYBWPLC-UHFFFAOYSA-N 1 0 364.446 2.619 20 5 FFBDRO O=[N+]([O-])c1cccnc1N1CC[NH+](C[C@@H]2CCc3ccccc3C2)CC1 ZINC001182204334 1010424250 /nfs/dbraw/zinc/42/42/50/1010424250.db2.gz PPJAUQRHGXLUTC-MRXNPFEDSA-N 1 0 352.438 2.917 20 5 FFBDRO CC(C)(C)CC[NH+]1CCN(Cn2c(=O)oc3cccc([N+](=O)[O-])c32)CC1 ZINC000794621784 1010445349 /nfs/dbraw/zinc/44/53/49/1010445349.db2.gz VDEKGPPJTUIANZ-UHFFFAOYSA-N 1 0 362.430 2.514 20 5 FFBDRO O=C1c2cccc([N+](=O)[O-])c2C(=O)N1CN1CC[C@@H](c2ccccc2)C1 ZINC000120272415 1010603362 /nfs/dbraw/zinc/60/33/62/1010603362.db2.gz VKYQJHCOBAOOSU-CQSZACIVSA-N 1 0 351.362 2.638 20 5 FFBDRO C[C@H](C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)NC(=O)OC(C)(C)C ZINC000794823535 1010743505 /nfs/dbraw/zinc/74/35/05/1010743505.db2.gz FNDMFFPPYPUFAV-RDBSUJKOSA-N 1 0 367.450 2.778 20 5 FFBDRO C[C@@H]1CC[C@H](C(N)=O)[C@H](C)[N@@H+]1Cc1cccc([N+](=O)[O-])c1Br ZINC001171598186 1011395734 /nfs/dbraw/zinc/39/57/34/1011395734.db2.gz CIHNGXZTLHVDGV-SCVCMEIPSA-N 1 0 370.247 2.832 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@H]1CCN(c3ncccn3)C1)CC2 ZINC001172897225 1012071739 /nfs/dbraw/zinc/07/17/39/1012071739.db2.gz YAUSQHHYMKSKJO-SJORKVTESA-N 1 0 353.426 2.501 20 5 FFBDRO O=C1C=CC(=O)N1CCCCC[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172901879 1012074767 /nfs/dbraw/zinc/07/47/67/1012074767.db2.gz QQXKXBRBNRGKNN-KRWDZBQOSA-N 1 0 371.437 2.527 20 5 FFBDRO O=C(C1CCC1)N1CC[C@H]([NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172904626 1012076927 /nfs/dbraw/zinc/07/69/27/1012076927.db2.gz OOMXKQBWPCOSGY-ROUUACIJSA-N 1 0 357.454 2.833 20 5 FFBDRO O=C1NCCC2(CC[NH+]([C@H]3CCc4ccc([N+](=O)[O-])cc4CC3)CC2)O1 ZINC001172921372 1012102338 /nfs/dbraw/zinc/10/23/38/1012102338.db2.gz PKLQGHXFSGGDLW-INIZCTEOSA-N 1 0 359.426 2.807 20 5 FFBDRO Cc1ccnc(N2CC[NH+]([C@H]3CCc4ccc([N+](=O)[O-])cc4CC3)CC2)n1 ZINC001172911410 1012122197 /nfs/dbraw/zinc/12/21/97/1012122197.db2.gz BHLBSRFLDDDBSX-SFHVURJKSA-N 1 0 367.453 2.763 20 5 FFBDRO COC[C@H]1C[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)Cc2cn(C)nc21 ZINC001172909490 1012122508 /nfs/dbraw/zinc/12/25/08/1012122508.db2.gz SYTFYLLFFUVNOX-QZTJIDSGSA-N 1 0 370.453 2.822 20 5 FFBDRO CC(C)C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCc4ccc([N+](=O)[O-])cc4CC3)C[C@H]21 ZINC001172909749 1012122890 /nfs/dbraw/zinc/12/28/90/1012122890.db2.gz IPAJTTQOKGFJIJ-GDAAHCPNSA-N 1 0 357.454 2.545 20 5 FFBDRO CCOC(=O)C[C@@H](C)[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173011414 1012181797 /nfs/dbraw/zinc/18/17/97/1012181797.db2.gz CWZBXCJVQGTBHV-LLVKDONJSA-N 1 0 371.384 2.773 20 5 FFBDRO C[C@@H]1C[N@H+](C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)C[C@H](C)N1C ZINC001173018472 1012189945 /nfs/dbraw/zinc/18/99/45/1012189945.db2.gz WESVRCTWLIYTIM-BETUJISGSA-N 1 0 368.428 2.866 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH+]2CCC3(CC2)OCCO3)c1F ZINC001173180764 1012324382 /nfs/dbraw/zinc/32/43/82/1012324382.db2.gz MYCCQBVQKSWZLE-GFCCVEGCSA-N 1 0 354.378 2.512 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C[C@H]2CCCN(C(C)=O)C2)c1F ZINC001173189320 1012328237 /nfs/dbraw/zinc/32/82/37/1012328237.db2.gz OJMMWIPWKHHMLT-GXTWGEPZSA-N 1 0 367.421 2.522 20 5 FFBDRO CCOC(=O)CC1([NH2+][C@@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])CC1 ZINC001173186817 1012328466 /nfs/dbraw/zinc/32/84/66/1012328466.db2.gz VINCENPZFNKAIL-NSHDSACASA-N 1 0 354.378 2.749 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CC[NH+](CC3CC3)CC2)c1F ZINC001173190968 1012331762 /nfs/dbraw/zinc/33/17/62/1012331762.db2.gz YORMTAHIBDCBIW-CYBMUJFWSA-N 1 0 351.422 2.701 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CC[C@@H]([N@H+](C)C3CC3)C2)c1F ZINC001173192110 1012335447 /nfs/dbraw/zinc/33/54/47/1012335447.db2.gz IGMNMOLOKYITOV-GXTWGEPZSA-N 1 0 351.422 2.842 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH+]2CCC(N(C)C(C)=O)CC2)c1F ZINC001173196811 1012341148 /nfs/dbraw/zinc/34/11/48/1012341148.db2.gz PDMRPWBGONWMQE-LBPRGKRZSA-N 1 0 367.421 2.616 20 5 FFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1CCN(C(=O)c2ccccn2)CC1 ZINC001173222375 1012354135 /nfs/dbraw/zinc/35/41/35/1012354135.db2.gz WXOCSWRIAWVGLY-OAHLLOKOSA-N 1 0 368.437 2.815 20 5 FFBDRO CCOC[C@H]1Cn2nccc2C[N@@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173227422 1012362021 /nfs/dbraw/zinc/36/20/21/1012362021.db2.gz OGWJQOHYLNGZKW-DOTOQJQBSA-N 1 0 358.442 2.891 20 5 FFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1(CC2CC2)CCS(=O)(=O)CC1 ZINC001173228313 1012362243 /nfs/dbraw/zinc/36/22/43/1012362243.db2.gz JBJNVEWTADYRMF-AWEZNQCLSA-N 1 0 366.483 2.863 20 5 FFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(NC(=O)c2ccncc2)CC1 ZINC001173233553 1012368153 /nfs/dbraw/zinc/36/81/53/1012368153.db2.gz XFJPREZYZJWEJK-HNNXBMFYSA-N 1 0 368.437 2.815 20 5 FFBDRO COc1ccnc(N([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C2CC[NH2+]CC2)n1 ZINC001173238748 1012384987 /nfs/dbraw/zinc/38/49/87/1012384987.db2.gz XLKCRHYNVSCMPN-AWEZNQCLSA-N 1 0 371.441 2.583 20 5 FFBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000097667647 1012931362 /nfs/dbraw/zinc/93/13/62/1012931362.db2.gz IVKNXPIPFKTGFL-RYUDHWBXSA-N 1 0 364.402 2.662 20 5 FFBDRO Cn1nc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1C1CC1 ZINC000927112914 1018373564 /nfs/dbraw/zinc/37/35/64/1018373564.db2.gz TWBIWVLDUWJOFN-UHFFFAOYSA-N 1 0 355.442 2.964 20 5 FFBDRO CN(C)c1cc[nH+]c(CNC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)c1 ZINC000927703071 1018631774 /nfs/dbraw/zinc/63/17/74/1018631774.db2.gz QFWANRWVVGVODN-UHFFFAOYSA-N 1 0 366.324 2.587 20 5 FFBDRO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@@](CO)(c2ccccc2)C1 ZINC000801578485 1019133635 /nfs/dbraw/zinc/13/36/35/1019133635.db2.gz GXDUXKXILDJICP-HXUWFJFHSA-N 1 0 356.422 3.000 20 5 FFBDRO C[C@@H](C(=O)N[C@H](CC[NH+](C)C)c1cccnc1)c1cccc([N+](=O)[O-])c1 ZINC000928830747 1019144843 /nfs/dbraw/zinc/14/48/43/1019144843.db2.gz JZGFQQLBHRULQX-RDTXWAMCSA-N 1 0 356.426 2.903 20 5 FFBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000801822636 1019417624 /nfs/dbraw/zinc/41/76/24/1019417624.db2.gz SLYAIHDLBZKHMK-BETUJISGSA-N 1 0 366.437 2.804 20 5 FFBDRO C[NH+](C)CCN(CC1CCCCC1)C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000801836808 1019434184 /nfs/dbraw/zinc/43/41/84/1019434184.db2.gz RKBDJLQPQSOKKY-UHFFFAOYSA-N 1 0 366.437 2.900 20 5 FFBDRO C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)C[N@@H+]1Cc1ccccc1 ZINC000801921033 1019513253 /nfs/dbraw/zinc/51/32/53/1019513253.db2.gz WONIHUNTUVTPNN-GXTWGEPZSA-N 1 0 372.400 2.709 20 5 FFBDRO COc1cccc(-c2nnc(C[C@H]([NH3+])Cc3ccc([N+](=O)[O-])cc3)o2)c1 ZINC001217716638 1032847051 /nfs/dbraw/zinc/84/70/51/1032847051.db2.gz NHJDBPMSYRPRBI-CQSZACIVSA-N 1 0 354.366 2.766 20 5 FFBDRO COc1ccc(Cc2nnc(C[C@H]([NH3+])Cc3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC001217717059 1032847228 /nfs/dbraw/zinc/84/72/28/1032847228.db2.gz WOPWLLPPHXXYDM-OAHLLOKOSA-N 1 0 368.393 2.690 20 5 FFBDRO CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[NH+](Cc2ccc3ccccc3c2)CC1 ZINC001045437414 1019964849 /nfs/dbraw/zinc/96/48/49/1019964849.db2.gz PYESRLZFOOLLBR-RTBURBONSA-N 1 0 367.449 2.976 20 5 FFBDRO C[NH+]1CCC(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CC1 ZINC000725728070 1020248760 /nfs/dbraw/zinc/24/87/60/1020248760.db2.gz FDXAIVGXYRTLAL-UHFFFAOYSA-N 1 0 360.458 2.657 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2cnn(C[N@@H+]3CCC[C@@H](C4OCCO4)C3)c2)c1 ZINC000777957023 1020331028 /nfs/dbraw/zinc/33/10/28/1020331028.db2.gz OOPZJHVKAUBSDW-OAHLLOKOSA-N 1 0 358.398 2.501 20 5 FFBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931308298 1020415425 /nfs/dbraw/zinc/41/54/25/1020415425.db2.gz SLXMNQOGOUOSOC-VMDGZTHMSA-N 1 0 371.441 2.979 20 5 FFBDRO COc1cc([C@@H](C)[NH2+]Cc2ccc3c(c2)C(=O)NCC3)cc([N+](=O)[O-])c1 ZINC000903148470 1020704542 /nfs/dbraw/zinc/70/45/42/1020704542.db2.gz SEVBNNUFHMOIOQ-GFCCVEGCSA-N 1 0 355.394 2.740 20 5 FFBDRO O=[N+]([O-])c1cc(I)ccc1O[C@H]1CCCC[NH2+]C1 ZINC001217976667 1032929334 /nfs/dbraw/zinc/92/93/34/1032929334.db2.gz XYVNKRLJZLZWEC-JTQLQIEISA-N 1 0 362.167 2.720 20 5 FFBDRO COC(=O)c1cc2n(n1)CCC[C@H]2[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000903245189 1020760988 /nfs/dbraw/zinc/76/09/88/1020760988.db2.gz JXMVMRLUCILOCR-TZMCWYRMSA-N 1 0 358.398 2.806 20 5 FFBDRO O=C1[C@H]([NH2+][C@H](c2ccccn2)C2CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000932382365 1020787365 /nfs/dbraw/zinc/78/73/65/1020787365.db2.gz SKLXTRRKZGLDHZ-MSOLQXFVSA-N 1 0 352.394 2.836 20 5 FFBDRO C[N@@H+](Cc1ccc(C(=O)NC2CC2)cc1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000749670795 1021018808 /nfs/dbraw/zinc/01/88/08/1021018808.db2.gz LNXPNXCULRMHFW-IBGZPJMESA-N 1 0 369.421 2.652 20 5 FFBDRO O=[N+]([O-])c1ccn(CCN2CCC(c3ccccc3)([NH+]3CCCC3)CC2)n1 ZINC000933546699 1021028995 /nfs/dbraw/zinc/02/89/95/1021028995.db2.gz GDSNPKUHMGYZQE-UHFFFAOYSA-N 1 0 369.469 2.878 20 5 FFBDRO COC(=O)C1([C@@]2(O)CCC[N@@H+]([C@H](C)c3ccccc3[N+](=O)[O-])C2)CCC1 ZINC000933841872 1021101289 /nfs/dbraw/zinc/10/12/89/1021101289.db2.gz VRXZRENRTQEXDD-AUUYWEPGSA-N 1 0 362.426 2.826 20 5 FFBDRO CC1=CCCN(C(=O)Nc2cc(N3CC[NH+](C)CC3)ccc2[N+](=O)[O-])C1 ZINC000934040921 1021129156 /nfs/dbraw/zinc/12/91/56/1021129156.db2.gz AKHYYTNNOYIFGZ-UHFFFAOYSA-N 1 0 359.430 2.531 20 5 FFBDRO CN(C)CC(=O)Nc1ccc2nc(O[C@@H]3CC[NH2+]C3)c3ccccc3c2c1 ZINC001218038653 1032965427 /nfs/dbraw/zinc/96/54/27/1032965427.db2.gz PSNSHUUHUZLSAP-OAHLLOKOSA-N 1 0 364.449 2.629 20 5 FFBDRO CN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000750116628 1021379371 /nfs/dbraw/zinc/37/93/71/1021379371.db2.gz SLYPZRRFECAFDV-VQTJNVASSA-N 1 0 355.438 2.835 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCCC[C@H]1[NH+](C)C ZINC001116906514 1021483376 /nfs/dbraw/zinc/48/33/76/1021483376.db2.gz LORGSAMBJVLJNT-UKRRQHHQSA-N 1 0 350.419 2.988 20 5 FFBDRO Cc1nc(O[C@H]2CCC[C@]23CC[NH2+]C3)c([N+](=O)[O-])cc1Br ZINC001218091703 1032988828 /nfs/dbraw/zinc/98/88/28/1032988828.db2.gz FSUJAQDPGDCSRI-GXTWGEPZSA-N 1 0 356.220 2.972 20 5 FFBDRO O=[N+]([O-])c1cc(I)ccc1O[C@@H]1CC[C@]12CC[NH2+]C2 ZINC001218115067 1033003523 /nfs/dbraw/zinc/00/35/23/1033003523.db2.gz FDTHSMWMVMCLSD-CHWSQXEVSA-N 1 0 374.178 2.720 20 5 FFBDRO O=[N+]([O-])c1cc(I)ccc1O[C@H]1CC[C@]12CC[NH2+]C2 ZINC001218115069 1033003609 /nfs/dbraw/zinc/00/36/09/1033003609.db2.gz FDTHSMWMVMCLSD-QWHCGFSZSA-N 1 0 374.178 2.720 20 5 FFBDRO Cc1ccc([C@H](C)NC(=O)CN(CC[NH3+])Cc2ccccc2)cc1[N+](=O)[O-] ZINC001118144106 1022089980 /nfs/dbraw/zinc/08/99/80/1022089980.db2.gz MVYOWHBIVDHJQG-INIZCTEOSA-N 1 0 370.453 2.541 20 5 FFBDRO Cc1ccc(C(=O)c2cc(O)c(O[C@H]3CCC34C[NH2+]C4)c([N+](=O)[O-])c2)cc1 ZINC001218238802 1033063995 /nfs/dbraw/zinc/06/39/95/1033063995.db2.gz CPSMFWJHXNJVCM-KRWDZBQOSA-N 1 0 368.389 2.971 20 5 FFBDRO COc1cccc([C@@H]2C[NH2+]CCN2C(=O)c2ccc([N+](=O)[O-])cc2F)c1 ZINC001119311213 1022672137 /nfs/dbraw/zinc/67/21/37/1022672137.db2.gz KBAQYVDPUFNDEG-KRWDZBQOSA-N 1 0 359.357 2.529 20 5 FFBDRO C/C(=C\C(=O)NCC1([NH+]2CCCC2)CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000752027531 1023027615 /nfs/dbraw/zinc/02/76/15/1023027615.db2.gz CQDITKLZCKXHNT-JQIJEIRASA-N 1 0 373.453 2.759 20 5 FFBDRO [NH3+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)CCc2cc(F)ccc2[N+](=O)[O-])C1 ZINC001122243376 1023140311 /nfs/dbraw/zinc/14/03/11/1023140311.db2.gz CHCPBINRUMXARQ-MSEWRSJXSA-N 1 0 371.412 2.842 20 5 FFBDRO [NH3+]CC1([C@@H]2CCCCN2C(=O)COc2ccc([N+](=O)[O-])c(F)c2)CCC1 ZINC001122279484 1023163128 /nfs/dbraw/zinc/16/31/28/1023163128.db2.gz UIMLCSIDQSHSJA-INIZCTEOSA-N 1 0 365.405 2.623 20 5 FFBDRO O=C(NCC[C@@H]1CCC[NH2+]CC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC001122508540 1023309540 /nfs/dbraw/zinc/30/95/40/1023309540.db2.gz KODHHQCFYNMYHN-OAHLLOKOSA-N 1 0 360.458 2.705 20 5 FFBDRO O=[N+]([O-])c1ccc(O[C@@H]2C[NH2+]CCC23CC3)cc1I ZINC001218405754 1033139985 /nfs/dbraw/zinc/13/99/85/1033139985.db2.gz QNZRFUZOGJOOBH-GFCCVEGCSA-N 1 0 374.178 2.720 20 5 FFBDRO O=[N+]([O-])c1cc(I)ccc1O[C@@H]1C[NH2+]CCC12CC2 ZINC001218407119 1033142162 /nfs/dbraw/zinc/14/21/62/1033142162.db2.gz UIOHHLLMRVPKMR-GFCCVEGCSA-N 1 0 374.178 2.720 20 5 FFBDRO O=C(CCn1cc([N+](=O)[O-])cn1)OC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000077958240 1023711665 /nfs/dbraw/zinc/71/16/65/1023711665.db2.gz WTIWCLHWYSTDBU-QGZVFWFLSA-N 1 0 372.425 2.637 20 5 FFBDRO Cc1cc(-c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2C)cc([N+](=O)[O-])c1 ZINC001121399095 1023750972 /nfs/dbraw/zinc/75/09/72/1023750972.db2.gz SNSMHZWZSYEKPG-UHFFFAOYSA-N 1 0 358.446 2.619 20 5 FFBDRO O=[N+]([O-])c1ccc(O[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]23)c(I)c1 ZINC001218458862 1033165172 /nfs/dbraw/zinc/16/51/72/1033165172.db2.gz ABBKCZFTCAJVSP-HLUHBDAQSA-N 1 0 374.178 2.576 20 5 FFBDRO COc1ccc(C(=O)N2C[C@H](C[NH3+])Cc3cc(F)ccc32)cc1[N+](=O)[O-] ZINC001122172318 1024403792 /nfs/dbraw/zinc/40/37/92/1024403792.db2.gz AHEVIEAEPJIIIA-NSHDSACASA-N 1 0 359.357 2.520 20 5 FFBDRO O=C(CCn1cc([N+](=O)[O-])cn1)OCc1cccc(C[NH+]2CCCCC2)c1 ZINC000840222567 1027011137 /nfs/dbraw/zinc/01/11/37/1027011137.db2.gz DAXMEZOTOLRDHH-UHFFFAOYSA-N 1 0 372.425 2.911 20 5 FFBDRO COc1nc(N2CCC[C@@H]([NH3+])c3cc(C)ccc32)nc(OC)c1[N+](=O)[O-] ZINC001158731556 1027116498 /nfs/dbraw/zinc/11/64/98/1027116498.db2.gz YYYPVWFOAAAJDL-GFCCVEGCSA-N 1 0 359.386 2.642 20 5 FFBDRO [NH3+][C@@H]1CCc2c3ccccc3n(-c3c(Cl)[n+]([O-])ccc3[N+](=O)[O-])c2C1 ZINC001159948968 1027542627 /nfs/dbraw/zinc/54/26/27/1027542627.db2.gz MEDWOWOWEMBDMN-SNVBAGLBSA-N 1 0 358.785 2.642 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])cnc1-n1cc(C[C@H](C)[NH3+])c2ccc(C)cc21 ZINC001160003973 1027560363 /nfs/dbraw/zinc/56/03/63/1027560363.db2.gz HMQDJVTXCFBBFO-LBPRGKRZSA-N 1 0 368.393 2.918 20 5 FFBDRO O=C(NCCC1=CC[N@H+](Cc2ccc(Cl)cc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001160097891 1027588903 /nfs/dbraw/zinc/58/89/03/1027588903.db2.gz OMGZGHUSKXXQND-IAGOWNOFSA-N 1 0 363.845 2.644 20 5 FFBDRO O=[N+]([O-])c1ccc2ncc(NCc3ccccc3N3CC[NH2+]CC3)nc2c1 ZINC001160108188 1027595523 /nfs/dbraw/zinc/59/55/23/1027595523.db2.gz GMEYYPVINSGQJZ-UHFFFAOYSA-N 1 0 364.409 2.560 20 5 FFBDRO CCOc1nc(NC2CC[NH+](Cc3ccncc3)CC2)ccc1[N+](=O)[O-] ZINC001161104160 1028012394 /nfs/dbraw/zinc/01/23/94/1028012394.db2.gz MSMSHZPGKUQFTI-UHFFFAOYSA-N 1 0 357.414 2.860 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)cc(NCC2CC[NH+](C3CCOCC3)CC2)n1 ZINC001161236449 1028086625 /nfs/dbraw/zinc/08/66/25/1028086625.db2.gz MGRWGXKRFHJMTJ-UHFFFAOYSA-N 1 0 354.838 2.946 20 5 FFBDRO O=[N+]([O-])c1cc(NCC2CC[NH+](C3CCOCC3)CC2)nc2[nH]ccc21 ZINC001161240474 1028087793 /nfs/dbraw/zinc/08/77/93/1028087793.db2.gz PXYWJMTXASFBCT-UHFFFAOYSA-N 1 0 359.430 2.774 20 5 FFBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N[C@@H](c1cccc(F)c1)C1CC[NH2+]CC1 ZINC001161821997 1028324791 /nfs/dbraw/zinc/32/47/91/1028324791.db2.gz KBSHOEVZTKTLKS-QGZVFWFLSA-N 1 0 360.389 2.829 20 5 FFBDRO O=[N+]([O-])c1cnc(-n2nc(C(F)(F)F)c3c2CC[NH2+]C3)c2ccccc21 ZINC001154849679 1028483010 /nfs/dbraw/zinc/48/30/10/1028483010.db2.gz RSXQGKMCDQXKGQ-UHFFFAOYSA-N 1 0 363.299 2.993 20 5 FFBDRO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1NC[C@]1(F)CCCC[NH2+]C1 ZINC001155114385 1028585758 /nfs/dbraw/zinc/58/57/58/1028585758.db2.gz BKZGTIWSKXHAFI-HNNXBMFYSA-N 1 0 374.800 2.714 20 5 FFBDRO [NH3+]C[C@@H]1Cc2ccccc2CN1c1ccc(-c2ccccc2[N+](=O)[O-])nn1 ZINC001162745071 1028643943 /nfs/dbraw/zinc/64/39/43/1028643943.db2.gz SBAACENWVUPAIX-INIZCTEOSA-N 1 0 361.405 2.942 20 5 FFBDRO Cc1ccc2c(c1)[C@@H](Nc1c(F)c([N+](=O)[O-])cc[n+]1[O-])CC21CC[NH2+]CC1 ZINC001163023798 1028763573 /nfs/dbraw/zinc/76/35/73/1028763573.db2.gz OCSNLWQRDFGBMW-HNNXBMFYSA-N 1 0 372.400 2.854 20 5 FFBDRO O=[N+]([O-])c1cc(F)cc(Br)c1NC[C@@H]1OC[C@H]2C[NH2+]CC[C@H]21 ZINC001163167695 1028830153 /nfs/dbraw/zinc/83/01/53/1028830153.db2.gz QBQWWZUCYWQKMR-JQEORGNBSA-N 1 0 374.210 2.533 20 5 FFBDRO O=[N+]([O-])c1c(Cl)nc(Cl)nc1NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC001163272429 1028866820 /nfs/dbraw/zinc/86/68/20/1028866820.db2.gz QQAHNGQQTLHWTE-JTQLQIEISA-N 1 0 354.197 2.818 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H]2CC[N@@H+]2C2CCCCCC2)n1 ZINC001163942212 1029122769 /nfs/dbraw/zinc/12/27/69/1029122769.db2.gz OWHYJOQXVPKGMD-AWEZNQCLSA-N 1 0 362.430 2.985 20 5 FFBDRO O=[N+]([O-])c1c(N[C@H](c2ccccc2)c2ccncc2)ncnc1C1C[NH2+]C1 ZINC001164068276 1029162192 /nfs/dbraw/zinc/16/21/92/1029162192.db2.gz FYVWDYDQMUPAPD-MRXNPFEDSA-N 1 0 362.393 2.668 20 5 FFBDRO CN1CCC(CNc2ccc3cc(F)cc([N+](=O)[O-])c3n2)([NH+](C)C)CC1 ZINC001164211762 1029205343 /nfs/dbraw/zinc/20/53/43/1029205343.db2.gz SIHQIZNASVDRQU-UHFFFAOYSA-N 1 0 361.421 2.720 20 5 FFBDRO [NH3+]Cc1cnc2c(ccn2-c2cc3ncnc(Cl)c3cc2[N+](=O)[O-])c1 ZINC001156593942 1029261211 /nfs/dbraw/zinc/26/12/11/1029261211.db2.gz QEVPCYPBBQZXDM-UHFFFAOYSA-N 1 0 354.757 2.989 20 5 FFBDRO CC(C)[NH+](CCNC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(C)C ZINC000781566978 1029277797 /nfs/dbraw/zinc/27/77/97/1029277797.db2.gz HXLKBVDXZJNDQD-UHFFFAOYSA-N 1 0 366.418 2.671 20 5 FFBDRO O=C(NCCC1(C[NH2+]Cc2ccc(C3CCC3)cc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001164494767 1029296770 /nfs/dbraw/zinc/29/67/70/1029296770.db2.gz RCVOLDLQVNLGPB-RTBURBONSA-N 1 0 371.481 2.995 20 5 FFBDRO CCCc1ccc(C[NH2+]CC2(CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1 ZINC001164494610 1029297883 /nfs/dbraw/zinc/29/78/83/1029297883.db2.gz OQKLCZHYPPPURW-QZTJIDSGSA-N 1 0 359.470 2.680 20 5 FFBDRO O=[N+]([O-])c1cccc2ccc(N3CC[NH+](CCc4ccncc4)CC3)nc21 ZINC001165060536 1029359117 /nfs/dbraw/zinc/35/91/17/1029359117.db2.gz RIKBWMLOTHZGOL-UHFFFAOYSA-N 1 0 363.421 2.903 20 5 FFBDRO [NH3+]Cc1nn(-c2cc3ncnc(Cl)c3cc2[N+](=O)[O-])c2ccccc12 ZINC001156855322 1029378780 /nfs/dbraw/zinc/37/87/80/1029378780.db2.gz CWKKUKVRWLWQLQ-UHFFFAOYSA-N 1 0 354.757 2.989 20 5 FFBDRO CN(C)/C=C/c1cc(N2CC[NH2+][C@H](c3ccccc3)C2)ncc1[N+](=O)[O-] ZINC001157765396 1029657906 /nfs/dbraw/zinc/65/79/06/1029657906.db2.gz PREIKSSMFSZRCO-VMSUTVGLSA-N 1 0 353.426 2.673 20 5 FFBDRO O=C(NCCC[NH2+]Cc1ccc(-c2ccccc2)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157775678 1029661527 /nfs/dbraw/zinc/66/15/27/1029661527.db2.gz WBFIIZORMGJGHC-RTBURBONSA-N 1 0 353.422 2.615 20 5 FFBDRO [NH3+][C@@H](Cc1c2ccccc2cc2ccccc21)C(=O)N1CC[C@@H](O)[C@H](F)C1 ZINC001157856281 1029675497 /nfs/dbraw/zinc/67/54/97/1029675497.db2.gz UMKJOVBDPBQLRL-QHAWAJNXSA-N 1 0 366.436 2.794 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(-n2nc(-c3ccccc3)nc2CC[NH3+])nc1Cl ZINC001157895407 1029680898 /nfs/dbraw/zinc/68/08/98/1029680898.db2.gz DBGRLPFGHXVFGZ-UHFFFAOYSA-N 1 0 358.789 2.701 20 5 FFBDRO COc1cnc(-n2c(CCC[NH3+])nc3ccc(Cl)cc32)c([N+](=O)[O-])c1 ZINC001158136016 1029742427 /nfs/dbraw/zinc/74/24/27/1029742427.db2.gz DOHVFLYYHPLTMH-UHFFFAOYSA-N 1 0 361.789 2.882 20 5 FFBDRO COC(=O)c1cnc(N[C@@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)c([N+](=O)[O-])c1 ZINC001158266902 1029778741 /nfs/dbraw/zinc/77/87/41/1029778741.db2.gz NLBWIUWCGMJVKH-PXAZEXFGSA-N 1 0 350.419 2.732 20 5 FFBDRO CCOc1nc(N(c2ccncc2F)C2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC001158342906 1029803553 /nfs/dbraw/zinc/80/35/53/1029803553.db2.gz CUSKUJBZFYQBMP-UHFFFAOYSA-N 1 0 361.377 2.813 20 5 FFBDRO COC(=O)c1ccnc(N(C2CCCC2)C2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC001158487560 1029840079 /nfs/dbraw/zinc/84/00/79/1029840079.db2.gz HLANWIZIHGQRHZ-UHFFFAOYSA-N 1 0 362.430 2.620 20 5 FFBDRO COc1nc(C)c([N+](=O)[O-])c(N2C[C@H](C)[N@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC001165202760 1029889385 /nfs/dbraw/zinc/88/93/85/1029889385.db2.gz OEJRAQUOLMZUNB-UONOGXRCSA-N 1 0 371.441 2.801 20 5 FFBDRO C[C@@H]([NH2+][C@H](COC(N)=O)Cc1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000840863472 1029895929 /nfs/dbraw/zinc/89/59/29/1029895929.db2.gz JJYASAIMZDCOIL-DOMZBBRYSA-N 1 0 358.398 2.948 20 5 FFBDRO [NH3+]C1([C@@H]2CN(c3ccc(-c4ccc([N+](=O)[O-])cc4)nn3)C[C@@H]2CF)CC1 ZINC001165434284 1029982335 /nfs/dbraw/zinc/98/23/35/1029982335.db2.gz RBXKJYUTAIRRMW-DZGCQCFKSA-N 1 0 357.389 2.565 20 5 FFBDRO Cc1cc(N2C[C@@H](CF)[C@H](C3([NH3+])CC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001165437144 1029984027 /nfs/dbraw/zinc/98/40/27/1029984027.db2.gz VMCBQIBZKTWRST-GDBMZVCRSA-N 1 0 371.416 2.873 20 5 FFBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)C1 ZINC001142303917 1030289475 /nfs/dbraw/zinc/28/94/75/1030289475.db2.gz WQFDCPSJKCYXSA-ZYHUDNBSSA-N 1 0 363.805 2.537 20 5 FFBDRO C[C@H]1C[N@H+](CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)CC(C)(C)C1 ZINC000784008237 1030412258 /nfs/dbraw/zinc/41/22/58/1030412258.db2.gz MWXRFUBNROXTOO-CYBMUJFWSA-N 1 0 360.414 2.689 20 5 FFBDRO Cc1c(N(c2cccc(C[NH3+])c2)S(C)(=O)=O)cc(F)cc1[N+](=O)[O-] ZINC001166470239 1030413448 /nfs/dbraw/zinc/41/34/48/1030413448.db2.gz DASRMWORPCUTMD-UHFFFAOYSA-N 1 0 353.375 2.599 20 5 FFBDRO C[N@@H+](CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C[C@H]1CC=CCC1 ZINC000784394515 1030600728 /nfs/dbraw/zinc/60/07/28/1030600728.db2.gz TXJOLXLOTXSFPA-KRWDZBQOSA-N 1 0 372.469 2.532 20 5 FFBDRO C[C@H]1CC2(C[N@@H+]1Cn1cnc(-c3ccc([N+](=O)[O-])cc3)n1)CCOCC2 ZINC000842640072 1030869508 /nfs/dbraw/zinc/86/95/08/1030869508.db2.gz ULDRCBYASZDQKW-AWEZNQCLSA-N 1 0 357.414 2.702 20 5 FFBDRO COc1cc(OCC(=O)OC[C@H]2CCC[N@@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000842834086 1030984922 /nfs/dbraw/zinc/98/49/22/1030984922.db2.gz REVHFGRAVBYROZ-AWEZNQCLSA-N 1 0 366.414 2.646 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000797517128 1031141101 /nfs/dbraw/zinc/14/11/01/1031141101.db2.gz CADGKMLXMWVDOJ-CYBMUJFWSA-N 1 0 365.430 2.950 20 5 FFBDRO C[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H](O)c1ccc(F)cc1 ZINC000843073441 1031171665 /nfs/dbraw/zinc/17/16/65/1031171665.db2.gz IDYPHUINLQAXOK-KZULUSFZSA-N 1 0 361.373 2.774 20 5 FFBDRO CC(C)Oc1ccc([C@H](O)C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000843081223 1031175727 /nfs/dbraw/zinc/17/57/27/1031175727.db2.gz NSSQPDAQIFHUBU-RTBURBONSA-N 1 0 360.410 2.739 20 5 FFBDRO CN(CCC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)C(=O)OC(C)(C)C ZINC000797990486 1031276453 /nfs/dbraw/zinc/27/64/53/1031276453.db2.gz ZDSDSIGDFQREFD-UHFFFAOYSA-N 1 0 367.450 2.685 20 5 FFBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CCCc3cc(C[NH3+])ccc32)cc1[N+](=O)[O-] ZINC000843343620 1031336397 /nfs/dbraw/zinc/33/63/97/1031336397.db2.gz WGFHPBBUXOLNOR-UHFFFAOYSA-N 1 0 370.365 2.863 20 5 FFBDRO [NH3+]C1(CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C2CC3CC(C2)CC1C3 ZINC000843501716 1031431909 /nfs/dbraw/zinc/43/19/09/1031431909.db2.gz PJFZKDARLIUMPO-ZZXKWVIFSA-N 1 0 355.438 2.878 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@H](CCO)Cc2ccccc2)n1 ZINC000799732497 1031868362 /nfs/dbraw/zinc/86/83/62/1031868362.db2.gz ZPTXBAFWTVBYJK-FGTMMUONSA-N 1 0 358.442 2.858 20 5 FFBDRO Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)Nc3ccc(N)c([N+](=O)[O-])c3)C2)cc1 ZINC001219452465 1033649869 /nfs/dbraw/zinc/64/98/69/1033649869.db2.gz OXIGGLIXGPEQTI-INIZCTEOSA-N 1 0 369.425 2.881 20 5 FFBDRO CN(C)c1cc(F)c(C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)cc1[N+](=O)[O-] ZINC000830529803 1033659170 /nfs/dbraw/zinc/65/91/70/1033659170.db2.gz POCYDAPYLGDUPW-ZDUSSCGKSA-N 1 0 364.421 2.547 20 5 FFBDRO CCOC(=O)c1ccc(COC2CC[NH+](CCF)CC2)c([N+](=O)[O-])c1 ZINC001223965860 1033662264 /nfs/dbraw/zinc/66/22/64/1033662264.db2.gz FFGNJDNORVSRDF-UHFFFAOYSA-N 1 0 354.378 2.722 20 5 FFBDRO CN(C)c1cc(F)c(C(=O)NCC[N@@H+]2CCCC(C)(C)C2)cc1[N+](=O)[O-] ZINC000830584648 1033697444 /nfs/dbraw/zinc/69/74/44/1033697444.db2.gz VVWGEJTXUWYYFH-UHFFFAOYSA-N 1 0 366.437 2.652 20 5 FFBDRO CSc1cc(C)nc(SC)c1NC(=O)CO[C@H](C)C[N+](C)(C)C ZINC001225053493 1034107869 /nfs/dbraw/zinc/10/78/69/1034107869.db2.gz UJUFZUUBAGYCCQ-GFCCVEGCSA-O 1 0 358.553 2.884 20 5 FFBDRO COC(C)(CNC(=O)[C@@H]([NH3+])Cc1c2ccccc2cc2ccccc21)OC ZINC001220509271 1034229903 /nfs/dbraw/zinc/22/99/03/1034229903.db2.gz QUTOEEAALANBPT-FQEVSTJZSA-N 1 0 366.461 2.988 20 5 FFBDRO NC(=O)c1cc([N+](=O)[O-])ccc1O[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001226164039 1034553708 /nfs/dbraw/zinc/55/37/08/1034553708.db2.gz GFXBNOKTICKHIF-INIZCTEOSA-N 1 0 355.394 2.737 20 5 FFBDRO Cc1c(C(=O)N[C@@H]2CCC[N@@H+](C(C)C)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000832297047 1034709686 /nfs/dbraw/zinc/70/96/86/1034709686.db2.gz POFJLMHQVZDQRR-CYBMUJFWSA-N 1 0 364.402 2.722 20 5 FFBDRO Cc1cc([N+](=O)[O-])cnc1OC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001226764021 1034824750 /nfs/dbraw/zinc/82/47/50/1034824750.db2.gz DLDFHQVQNRHBNJ-SFHVURJKSA-N 1 0 357.410 2.968 20 5 FFBDRO CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CC[C@@H]1[NH3+] ZINC000834642193 1035422811 /nfs/dbraw/zinc/42/28/11/1035422811.db2.gz QHLSCOGHQPQPAW-YOEHRIQHSA-N 1 0 360.458 2.785 20 5 FFBDRO C[C@@H]([NH2+][C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834822577 1035457400 /nfs/dbraw/zinc/45/74/00/1035457400.db2.gz DUGYIUJKBNCNGC-KBNOKHGBSA-N 1 0 362.430 2.693 20 5 FFBDRO COC(=O)CO[C@H]1CC[N@H+](Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001232227707 1035505026 /nfs/dbraw/zinc/50/50/26/1035505026.db2.gz MEGREGVGZSBBNZ-KRWDZBQOSA-N 1 0 351.406 2.547 20 5 FFBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ccc3c(c1)oc1cc(=O)ccc-1[n+]3[O-])C2 ZINC001227449080 1035558503 /nfs/dbraw/zinc/55/85/03/1035558503.db2.gz KSBCUYTZUOBMJM-VIKVFOODSA-N 1 0 352.390 2.535 20 5 FFBDRO C[C@@H](c1ccccn1)[N@@H+]1CCC[C@H](Oc2ncc([N+](=O)[O-])c3nc[nH]c32)C1 ZINC001227692270 1035675328 /nfs/dbraw/zinc/67/53/28/1035675328.db2.gz VQNJGUXVZNIZBF-STQMWFEESA-N 1 0 368.397 2.866 20 5 FFBDRO C[C@@H](C[N+](C)(C)C)Oc1cc(Cl)ncc1I ZINC001227796405 1035740488 /nfs/dbraw/zinc/74/04/88/1035740488.db2.gz PRRJUAHTJBAJLH-QMMMGPOBSA-N 1 0 355.627 2.813 20 5 FFBDRO CC[N@H+](CCCNC(=O)Nc1c(C)cncc1[N+](=O)[O-])C1CCCCC1 ZINC001203066756 1036177282 /nfs/dbraw/zinc/17/72/82/1036177282.db2.gz BOLXTZSTMLDARP-UHFFFAOYSA-N 1 0 363.462 2.886 20 5 FFBDRO COCCC[NH+]1CCC(Oc2c3ccccc3oc(=O)c2[N+](=O)[O-])CC1 ZINC001228804265 1036333715 /nfs/dbraw/zinc/33/37/15/1036333715.db2.gz WMDLTBBAYUKWOL-UHFFFAOYSA-N 1 0 362.382 2.581 20 5 FFBDRO CCOC(=O)c1cc(Cl)cc(NC(C)=O)c1O[C@@H](C)C[N+](C)(C)C ZINC001229247021 1036575075 /nfs/dbraw/zinc/57/50/75/1036575075.db2.gz WMVKVCMDJXRCJQ-NSHDSACASA-O 1 0 357.858 2.949 20 5 FFBDRO CC(=O)O[C@@H]1C[C@@H]2C[C@H](Oc3cc([N+](=O)[O-])cc4cccnc43)C[C@H]1[N@@H+]2C ZINC001229345804 1036623645 /nfs/dbraw/zinc/62/36/45/1036623645.db2.gz HZWWCFHUTMDGQA-QMCVQRASSA-N 1 0 371.393 2.689 20 5 FFBDRO COc1cc(CC[N+](=O)[O-])ccc1OC[C@@H]1CCC2(CC[NH+](C)CC2)O1 ZINC001233983310 1036854032 /nfs/dbraw/zinc/85/40/32/1036854032.db2.gz TVGCPPINPDMFPT-INIZCTEOSA-N 1 0 364.442 2.537 20 5 FFBDRO COc1c(O)cc(O[C@H]2CCC[N@H+](C)C2)c2c(=O)c3ccccc3n(C)c12 ZINC001234172817 1036957150 /nfs/dbraw/zinc/95/71/50/1036957150.db2.gz VILVTIFJADGQHC-ZDUSSCGKSA-N 1 0 368.433 2.879 20 5 FFBDRO C[C@H](C[N+](C)(C)C)Oc1c(I)cccc1[N+](=O)[O-] ZINC001229881677 1036957712 /nfs/dbraw/zinc/95/77/12/1036957712.db2.gz FUCNUAFKCADFOJ-SECBINFHSA-N 1 0 365.191 2.673 20 5 FFBDRO COC(=O)c1cc(O[C@H]2[C@@H]3CCC[C@H]2C[N@@H+](C)C3)c(F)cc1[N+](=O)[O-] ZINC001229937980 1036989771 /nfs/dbraw/zinc/98/97/71/1036989771.db2.gz FWPRILRYEAWHFU-CDMJZVDBSA-N 1 0 352.362 2.630 20 5 FFBDRO CC[N@@H+]1CC[C@H](Oc2ccc(I)cc2[N+](=O)[O-])C1 ZINC001229939371 1036990857 /nfs/dbraw/zinc/99/08/57/1036990857.db2.gz BNPSHUBHWOSKDI-JTQLQIEISA-N 1 0 362.167 2.672 20 5 FFBDRO CCOC(=O)Cc1ccc([N+](=O)[O-])c(O[C@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC001234411410 1037026747 /nfs/dbraw/zinc/02/67/47/1037026747.db2.gz SLSKPWDKLNVWJQ-HNNXBMFYSA-N 1 0 350.415 2.952 20 5 FFBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cc2ccoc2c(Br)c1 ZINC001234644158 1037121428 /nfs/dbraw/zinc/12/14/28/1037121428.db2.gz XTMXXMAWJFBOBK-LLVKDONJSA-N 1 0 357.224 2.558 20 5 FFBDRO CCOc1cc(NC(=O)N[C@@H](C)C[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC001207130332 1037174550 /nfs/dbraw/zinc/17/45/50/1037174550.db2.gz MFTXOMHWJKDTIT-ZDUSSCGKSA-N 1 0 350.419 2.989 20 5 FFBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(O[C@@H](CC[NH+](C)C)c2ccccc2)n1 ZINC001234911058 1037237810 /nfs/dbraw/zinc/23/78/10/1037237810.db2.gz PJJMPUIVJRPFRH-HNNXBMFYSA-N 1 0 373.413 2.723 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC001537097842 1070119869 /nfs/dbraw/zinc/11/98/69/1070119869.db2.gz YLVWWSJLCRAZCN-DOTOQJQBSA-N 1 0 368.437 2.939 20 5 FFBDRO COc1cc(N2CCC([NH2+]CCC3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC001256082674 1038366459 /nfs/dbraw/zinc/36/64/59/1038366459.db2.gz IUBKJAOPVVTRNW-UHFFFAOYSA-N 1 0 363.458 2.979 20 5 FFBDRO COc1cc(N2CCC([N@@H+]3CC[C@H]4OCC[C@H]4C3)CC2)ccc1[N+](=O)[O-] ZINC001256100774 1038384803 /nfs/dbraw/zinc/38/48/03/1038384803.db2.gz OTBJXHXCQXEJRO-KBXCAEBGSA-N 1 0 361.442 2.683 20 5 FFBDRO Cc1cc(-c2nnc(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)o2)c([N+](=O)[O-])cc1C ZINC001258153901 1039233955 /nfs/dbraw/zinc/23/39/55/1039233955.db2.gz RTLUZOBVDLIWLM-OKILXGFUSA-N 1 0 360.414 2.913 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CCCC[C@@]13CNCCO3)CC2 ZINC001246160903 1039262780 /nfs/dbraw/zinc/26/27/80/1039262780.db2.gz PXADDQOZKFYWBY-MISYRCLQSA-N 1 0 359.470 2.733 20 5 FFBDRO COc1ccc(C[C@H](C)[NH2+]C[C@@H]2Cc3ccccc3CN2)c([N+](=O)[O-])c1 ZINC001246282896 1039296200 /nfs/dbraw/zinc/29/62/00/1039296200.db2.gz VOJDFAQBVOLOOD-KSSFIOAISA-N 1 0 355.438 2.839 20 5 FFBDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Br ZINC001258333539 1039317924 /nfs/dbraw/zinc/31/79/24/1039317924.db2.gz RUYXEJUMTMJUMD-YPMHNXCESA-N 1 0 357.204 2.789 20 5 FFBDRO COc1ncc(Nc2ccc(CC[NH+]3CCOCC3)cc2)cc1[N+](=O)[O-] ZINC001210138326 1039402173 /nfs/dbraw/zinc/40/21/73/1039402173.db2.gz HWWMTSXEDJBHEH-UHFFFAOYSA-N 1 0 358.398 2.617 20 5 FFBDRO N[C@@]1(C(F)(F)F)CC[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001246570370 1039402506 /nfs/dbraw/zinc/40/25/06/1039402506.db2.gz POZCQNXWQLIANF-HNNXBMFYSA-N 1 0 358.364 2.529 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001246879173 1039515452 /nfs/dbraw/zinc/51/54/52/1039515452.db2.gz MMEKKNMLUOQILX-BSIFCXSSSA-N 1 0 351.450 2.999 20 5 FFBDRO c1cnc2c(c1)ccc1ccc(-c3noc([C@H]4COC5(C[NH2+]C5)C4)n3)nc12 ZINC001247876579 1040015137 /nfs/dbraw/zinc/01/51/37/1040015137.db2.gz YKRFIKQBXLTHGI-CQSZACIVSA-N 1 0 359.389 2.679 20 5 FFBDRO CCOC(=O)[C@@]12C[C@@H]1CC[N@@H+]2C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254474537 1040738738 /nfs/dbraw/zinc/73/87/38/1040738738.db2.gz RKIQYCOSYASVOW-IFXJQAMLSA-N 1 0 359.426 2.591 20 5 FFBDRO [NH3+]Cc1nc2cnccc2n1C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254472817 1040739852 /nfs/dbraw/zinc/73/98/52/1040739852.db2.gz PLGJSODJMKQEFK-UHFFFAOYSA-N 1 0 352.398 2.640 20 5 FFBDRO CCOC(=O)[C@]12C[C@H]1CC[N@@H+]2C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254474538 1040740275 /nfs/dbraw/zinc/74/02/75/1040740275.db2.gz RKIQYCOSYASVOW-KUHUBIRLSA-N 1 0 359.426 2.591 20 5 FFBDRO CC[C@H](C)[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C(=O)N(C)C ZINC001254472988 1040740836 /nfs/dbraw/zinc/74/08/36/1040740836.db2.gz YDDBJTWNLNKANK-KSSFIOAISA-N 1 0 362.474 2.656 20 5 FFBDRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254476110 1040741295 /nfs/dbraw/zinc/74/12/95/1040741295.db2.gz MHUZNPHJOGQINW-GDBMZVCRSA-N 1 0 361.442 2.885 20 5 FFBDRO O=C1NCCCC12CC[NH+](C1CCN(c3ccc([N+](=O)[O-])cc3)CC1)CC2 ZINC001254479619 1040744151 /nfs/dbraw/zinc/74/41/51/1040744151.db2.gz FIBNEHHDFVSDGO-UHFFFAOYSA-N 1 0 372.469 2.556 20 5 FFBDRO COC(=O)[C@@H]1C[C@H](C)C[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254479891 1040745057 /nfs/dbraw/zinc/74/50/57/1040745057.db2.gz PFXNHPWZAAPREY-LSDHHAIUSA-N 1 0 361.442 2.695 20 5 FFBDRO COC(=O)[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](C1CCN(c3ccc([N+](=O)[O-])cc3)CC1)C2 ZINC001254481665 1040747104 /nfs/dbraw/zinc/74/71/04/1040747104.db2.gz YDRXKBPOQRXLNV-DOXZYTNZSA-N 1 0 373.453 2.837 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCN(C(=O)C(F)(F)F)C1 ZINC001254548148 1040790716 /nfs/dbraw/zinc/79/07/16/1040790716.db2.gz KLJSTDMBLYFCGH-YPMHNXCESA-N 1 0 359.348 2.669 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H]2CCN(c3ncccn3)C[C@H]2C1 ZINC001254561446 1040798469 /nfs/dbraw/zinc/79/84/69/1040798469.db2.gz KXRQLXJMGYKZHG-JQHSSLGASA-N 1 0 367.453 2.774 20 5 FFBDRO CC(C)(C)OC(=O)N1CC[C@H](C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254566951 1040801697 /nfs/dbraw/zinc/80/16/97/1040801697.db2.gz LNKJIJMZJXHOLO-CJNGLKHVSA-N 1 0 361.442 2.909 20 5 FFBDRO CCn1cc2c(n1)CN([C@H](C)Cc1ccccc1[N+](=O)[O-])C[C@@H]2COC ZINC001254563397 1040803605 /nfs/dbraw/zinc/80/36/05/1040803605.db2.gz ZTFBPUOIJFQFPR-GDBMZVCRSA-N 1 0 358.442 2.988 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](NC(=O)c2cccnc2)C1 ZINC001254569196 1040805232 /nfs/dbraw/zinc/80/52/32/1040805232.db2.gz IYGPQSJLQJXZAN-MAUKXSAKSA-N 1 0 368.437 2.815 20 5 FFBDRO CC(C)(C)OC(=O)N1CC(C)(C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254567388 1040805872 /nfs/dbraw/zinc/80/58/72/1040805872.db2.gz NDXMSQYZMBRIJR-OAHLLOKOSA-N 1 0 361.442 2.909 20 5 FFBDRO O=C(C1CCCC1)N1CCC([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254574566 1040810677 /nfs/dbraw/zinc/81/06/77/1040810677.db2.gz IVXIJQBTAAICGO-SFHVURJKSA-N 1 0 357.454 2.833 20 5 FFBDRO CCO[C@H]1CC[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)[C@H]1Cc1cnn(C)c1 ZINC001254596951 1040826937 /nfs/dbraw/zinc/82/69/37/1040826937.db2.gz SWCQFRRVLKMEHO-AABGKKOBSA-N 1 0 370.453 2.518 20 5 FFBDRO COC[C@H]1COCCC12CC[NH+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)CC2 ZINC001254597607 1040827263 /nfs/dbraw/zinc/82/72/63/1040827263.db2.gz WMFLOSOMCOYMBG-HKUYNNGSSA-N 1 0 360.454 2.827 20 5 FFBDRO COC(=O)c1cccc2c1CC[N@@H+]([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254605251 1040835332 /nfs/dbraw/zinc/83/53/32/1040835332.db2.gz ARIZZCNTUPTTDF-QGZVFWFLSA-N 1 0 352.390 2.907 20 5 FFBDRO O=C(/C=C\[C@@H]1CCC[NH2+]C1)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC001262044400 1041527320 /nfs/dbraw/zinc/52/73/20/1041527320.db2.gz GGHLNRCALOXYHA-UUSYTGMJSA-N 1 0 368.231 2.529 20 5 FFBDRO CCn1c(C2CC[NH+](C)CC2)nnc1N(C)CCc1ccccc1[N+](=O)[O-] ZINC001263013726 1042032565 /nfs/dbraw/zinc/03/25/65/1042032565.db2.gz GLVPAXMPAGGOSV-UHFFFAOYSA-N 1 0 372.473 2.694 20 5 FFBDRO CCn1c([C@H](C)[N+](=O)[O-])nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001263020935 1042039600 /nfs/dbraw/zinc/03/96/00/1042039600.db2.gz GVRVSUZCOKDFCK-JKSUJKDBSA-N 1 0 364.494 2.584 20 5 FFBDRO C[NH2+]CCN(C(=O)Cn1c2ccccc2c(=O)c2ccccc21)C(C)C ZINC001263199046 1042167210 /nfs/dbraw/zinc/16/72/10/1042167210.db2.gz UWGYKLBWYFWIIM-UHFFFAOYSA-N 1 0 351.450 2.611 20 5 FFBDRO O=C(Cn1c2ccccc2c(=O)c2ccccc21)NC[C@H]1CCC[NH2+]CC1 ZINC001263323315 1042241001 /nfs/dbraw/zinc/24/10/01/1042241001.db2.gz MOWAVCBIITYMJP-INIZCTEOSA-N 1 0 363.461 2.661 20 5 FFBDRO C[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001313376429 1044338610 /nfs/dbraw/zinc/33/86/10/1044338610.db2.gz PORJMMRTUKBVMV-FUHWJXTLSA-N 1 0 360.458 2.968 20 5 FFBDRO O=C1C[C@H]([N@@H+]2CC[C@H]3CCCC[C@@H]3C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC001318012018 1045191578 /nfs/dbraw/zinc/19/15/78/1045191578.db2.gz AEBIYFKNEGHRDO-CPUCHLNUSA-N 1 0 357.410 2.739 20 5 FFBDRO COc1ccc(C[C@H](C)[N@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC001320888732 1045489067 /nfs/dbraw/zinc/48/90/67/1045489067.db2.gz KONJCEUDEWETMK-RDJZCZTQSA-N 1 0 374.437 2.906 20 5 FFBDRO Cn1cc(-c2ccc(CN(CC[NH3+])c3ccccc3[N+](=O)[O-])cc2)cn1 ZINC001324444200 1046035211 /nfs/dbraw/zinc/03/52/11/1046035211.db2.gz WONGLPRATGASDH-UHFFFAOYSA-N 1 0 351.410 2.961 20 5 FFBDRO CO[C@@]1(C)C[C@@H]([NH2+]CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1(C)C ZINC001324502111 1046068899 /nfs/dbraw/zinc/06/88/99/1046068899.db2.gz GEBFGUZLXARVFD-CJNGLKHVSA-N 1 0 355.822 2.980 20 5 FFBDRO O=C(c1ccn(-c2cc[nH+]cc2)n1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001324654319 1046149945 /nfs/dbraw/zinc/14/99/45/1046149945.db2.gz QTRWPBSDVBPSMY-UHFFFAOYSA-N 1 0 363.377 2.980 20 5 FFBDRO Cc1nccn1-c1cc[nH+]cc1NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC001322846528 1046246810 /nfs/dbraw/zinc/24/68/10/1046246810.db2.gz OMAITSORTRQFNN-UHFFFAOYSA-N 1 0 353.338 2.501 20 5 FFBDRO C[NH2+][C@H](C)CCNC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC001326367749 1046901610 /nfs/dbraw/zinc/90/16/10/1046901610.db2.gz GSIPGLKKYCYODA-KGLIPLIRSA-N 1 0 371.441 2.891 20 5 FFBDRO C[C@H](CC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)N(C)C(=O)OC(C)(C)C ZINC001326599441 1046995098 /nfs/dbraw/zinc/99/50/98/1046995098.db2.gz NUNADQJFFLPNSJ-CZUORRHYSA-N 1 0 367.446 2.863 20 5 FFBDRO CC(C)(CCC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1)[N+](=O)[O-] ZINC001288965565 1047542942 /nfs/dbraw/zinc/54/29/42/1047542942.db2.gz SAHNNGZSFUUUJZ-MSOLQXFVSA-N 1 0 359.470 2.802 20 5 FFBDRO CC[N@@H+]1CCC[C@H](CNc2cc(CN3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC001327616177 1047969371 /nfs/dbraw/zinc/96/93/71/1047969371.db2.gz LDXRVPZGHORAEE-QGZVFWFLSA-N 1 0 362.474 2.571 20 5 FFBDRO O=C(c1c(Br)cccc1[N+](=O)[O-])N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001331555094 1048002024 /nfs/dbraw/zinc/00/20/24/1048002024.db2.gz VCNXBYBXKDPAMC-NSHDSACASA-N 1 0 368.231 2.668 20 5 FFBDRO Cc1nn(CCO)c(C)c1C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001327952293 1048106394 /nfs/dbraw/zinc/10/63/94/1048106394.db2.gz PEKIDXLMFYUACU-KRWDZBQOSA-N 1 0 358.442 2.780 20 5 FFBDRO C[C@@H]1CCC[N@H+](CCNC(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)C1 ZINC001290892613 1048485794 /nfs/dbraw/zinc/48/57/94/1048485794.db2.gz ZSOBMVKEFKDHSV-CYBMUJFWSA-N 1 0 356.426 2.792 20 5 FFBDRO [NH3+]CCCN(CC(F)(F)F)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC001333198941 1048754553 /nfs/dbraw/zinc/75/45/53/1048754553.db2.gz CPTYUMYEQRTVBT-UHFFFAOYSA-N 1 0 353.728 2.530 20 5 FFBDRO CSc1ccc(C(=O)N(CCC[NH3+])CC(F)(F)F)cc1[N+](=O)[O-] ZINC001333199360 1048755830 /nfs/dbraw/zinc/75/58/30/1048755830.db2.gz MPCPKRJPSKEUSR-UHFFFAOYSA-N 1 0 351.350 2.670 20 5 FFBDRO CCCCCC[C@@](O)(CN1Cc2ccc([N+](=O)[O-])cc2C1)C(=O)OC ZINC001329878226 1048946135 /nfs/dbraw/zinc/94/61/35/1048946135.db2.gz OMINVOIKHYUDAL-GOSISDBHSA-N 1 0 350.415 2.785 20 5 FFBDRO O=C(Nc1ccc([N+](=O)[O-])c2ccncc12)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001329985910 1048992782 /nfs/dbraw/zinc/99/27/82/1048992782.db2.gz QSPBKULENHWZAL-ZDUSSCGKSA-N 1 0 355.398 2.845 20 5 FFBDRO COC(=O)c1cc(N2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)cc(C)c1[N+](=O)[O-] ZINC001333824755 1049134116 /nfs/dbraw/zinc/13/41/16/1049134116.db2.gz CGDJPCFNYBRWDW-SOUVJXGZSA-N 1 0 361.442 2.856 20 5 FFBDRO Cc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2N)[NH+]2CCCC2)o1 ZINC001292572875 1049363638 /nfs/dbraw/zinc/36/36/38/1049363638.db2.gz CIESBVGLAFEOCL-INIZCTEOSA-N 1 0 358.398 2.645 20 5 FFBDRO O=C(N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1c(F)cccc1[N+](=O)[O-] ZINC001341572565 1050199472 /nfs/dbraw/zinc/19/94/72/1050199472.db2.gz BKKCLEHAMMNNHC-LIRRHRJNSA-N 1 0 371.368 2.720 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@H](O)CC[C@H](O)c1ccccc1)CC2 ZINC001340616641 1050997837 /nfs/dbraw/zinc/99/78/37/1050997837.db2.gz SEXMGEFSDAYFEO-UXHICEINSA-N 1 0 356.422 2.828 20 5 FFBDRO [NH3+]C[C@@H]1Cc2ccccc2N(C(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC001340797109 1051142711 /nfs/dbraw/zinc/14/27/11/1051142711.db2.gz USQUPEWRUAEBBN-VHSSKADRSA-N 1 0 351.406 2.863 20 5 FFBDRO CCn1c([C@@H](C)[N+](=O)[O-])nnc1N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001340876879 1051209740 /nfs/dbraw/zinc/20/97/40/1051209740.db2.gz AXMBHAZAMUBKAE-WBVHZDCISA-N 1 0 372.473 2.737 20 5 FFBDRO CCN(c1nnc([C@H](C)[N+](=O)[O-])n1C)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001341358504 1051717440 /nfs/dbraw/zinc/71/74/40/1051717440.db2.gz HAPLULUUIGCPAP-HLLBOEOZSA-N 1 0 372.473 2.815 20 5 FFBDRO O=[N+]([O-])c1cc2c(nc1N1CCCN(c3cc[nH+]cc3)CC1)CCCC2 ZINC001307192410 1052264685 /nfs/dbraw/zinc/26/46/85/1052264685.db2.gz VZBJPSLLDNOHHU-UHFFFAOYSA-N 1 0 353.426 2.980 20 5 FFBDRO COc1cccc(C[C@H]2CN(c3ncc([N+](=O)[O-])cc3Cl)CC[NH2+]2)c1 ZINC001307236275 1052274155 /nfs/dbraw/zinc/27/41/55/1052274155.db2.gz IEEJDWNECDEPGC-ZDUSSCGKSA-N 1 0 362.817 2.673 20 5 FFBDRO Cc1nn(CCC[NH+]2CCN(c3ccc(Cl)cc3)CC2)cc1[N+](=O)[O-] ZINC001307351722 1052291422 /nfs/dbraw/zinc/29/14/22/1052291422.db2.gz AKHJPHXZADRZCG-UHFFFAOYSA-N 1 0 363.849 2.965 20 5 FFBDRO C[NH+](C)C[C@H]1COC2(CCCC2)CN1Cc1c(F)cccc1[N+](=O)[O-] ZINC001307937316 1052368258 /nfs/dbraw/zinc/36/82/58/1052368258.db2.gz ARLSNZPNWVSLBD-AWEZNQCLSA-N 1 0 351.422 2.809 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CC[C@H](O)[C@@H]4CCCC[C@H]43)n2)cc1 ZINC001308025785 1052386142 /nfs/dbraw/zinc/38/61/42/1052386142.db2.gz RDBQAIUMVZKSNR-OAGGEKHMSA-N 1 0 358.398 2.770 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CC[C@H](O)[C@H]4CCCC[C@@H]43)n2)cc1 ZINC001308025784 1052386580 /nfs/dbraw/zinc/38/65/80/1052386580.db2.gz RDBQAIUMVZKSNR-JYJNAYRXSA-N 1 0 358.398 2.770 20 5 FFBDRO CC[C@@H]([NH2+]CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC001308028235 1052387371 /nfs/dbraw/zinc/38/73/71/1052387371.db2.gz AHODUYVSTCFEBG-UKRRQHHQSA-N 1 0 365.430 2.727 20 5 FFBDRO [NH3+]C[C@@]12CC[C@@H]1CCCN2C(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC001345344212 1052395088 /nfs/dbraw/zinc/39/50/88/1052395088.db2.gz AZZNREXXEOZDCF-SJCJKPOMSA-N 1 0 351.834 2.911 20 5 FFBDRO COc1ccc(NC(=O)C[N@@H+]2C[C@H]3[C@H]4C=C[C@H](C4)[C@@]3(C)C2)c([N+](=O)[O-])c1 ZINC001308119611 1052411377 /nfs/dbraw/zinc/41/13/77/1052411377.db2.gz RPOMRGYIYSJGTJ-QRDCCXFBSA-N 1 0 357.410 2.686 20 5 FFBDRO CCCCC1([NH2+]CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001308141359 1052416174 /nfs/dbraw/zinc/41/61/74/1052416174.db2.gz BQGBSZIVHSKKTF-UHFFFAOYSA-N 1 0 360.458 2.556 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H](Cc1ccc(F)cc1)C(N)=O ZINC001308357250 1052450036 /nfs/dbraw/zinc/45/00/36/1052450036.db2.gz SHKWSFSTNNTSIO-HNNXBMFYSA-N 1 0 359.401 2.785 20 5 FFBDRO O=C(N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1cc(F)ccc1[N+](=O)[O-] ZINC001345559293 1052510185 /nfs/dbraw/zinc/51/01/85/1052510185.db2.gz IPGSWWCZNUEMJO-BEFAXECRSA-N 1 0 371.368 2.720 20 5 FFBDRO C[C@H]1C[N@H+](CCCNC(=O)c2cc([N+](=O)[O-])cc3ccccc32)CCCO1 ZINC001335188149 1053250232 /nfs/dbraw/zinc/25/02/32/1053250232.db2.gz NEXGPOHLISBHRW-HNNXBMFYSA-N 1 0 371.437 2.979 20 5 FFBDRO COc1ccc([C@@H](CN(C)C)[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC001335414556 1053345556 /nfs/dbraw/zinc/34/55/56/1053345556.db2.gz YUXPQRAPGUFFDG-RTBURBONSA-N 1 0 359.426 2.529 20 5 FFBDRO O=C1C[C@@H](Oc2ccc([N+](=O)[O-])cc2)N1CN1CCC[C@@H](CCF)C1 ZINC001347239009 1053748270 /nfs/dbraw/zinc/74/82/70/1053748270.db2.gz TWKOMCRUXTUNNF-SUMWQHHRSA-N 1 0 351.378 2.561 20 5 FFBDRO COc1ccc(NC(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC001347483821 1054031747 /nfs/dbraw/zinc/03/17/47/1054031747.db2.gz LUIJYETZTDIWGI-AWEZNQCLSA-N 1 0 362.430 2.943 20 5 FFBDRO CC(C)c1ccc(C(=O)N2CC[NH2+]CCC23CCOCC3)cc1[N+](=O)[O-] ZINC001336688475 1054140145 /nfs/dbraw/zinc/14/01/45/1054140145.db2.gz FZFQSUPYAORCJO-UHFFFAOYSA-N 1 0 361.442 2.703 20 5 FFBDRO C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC001336745966 1054187653 /nfs/dbraw/zinc/18/76/53/1054187653.db2.gz ULGJQDKBRGPKSW-NSHDSACASA-N 1 0 356.220 2.571 20 5 FFBDRO [NH3+]CCCN(CC(F)(F)F)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC001336992931 1054395511 /nfs/dbraw/zinc/39/55/11/1054395511.db2.gz PGJZNLAZRQBTST-UHFFFAOYSA-N 1 0 374.363 2.548 20 5 FFBDRO COc1ccc([C@@H]2C[NH2+]CCN2C(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC001337025625 1054419440 /nfs/dbraw/zinc/41/94/40/1054419440.db2.gz ABQVXRYWNWMPGP-SFHVURJKSA-N 1 0 355.394 2.699 20 5 FFBDRO O=[N+]([O-])c1ccc(NCCCc2nc([C@@H]3C[NH+]4CCC3CC4)no2)cc1 ZINC001337930159 1055110197 /nfs/dbraw/zinc/11/01/97/1055110197.db2.gz UDHYSZQVODBDOZ-MRXNPFEDSA-N 1 0 357.414 2.832 20 5 FFBDRO Cc1cc(C(=O)NC[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)cc([N+](=O)[O-])c1 ZINC001349327506 1055192303 /nfs/dbraw/zinc/19/23/03/1055192303.db2.gz PYQADMXXYJNYNV-YJBOKZPZSA-N 1 0 361.442 2.524 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)CCNc3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC001352184614 1055256223 /nfs/dbraw/zinc/25/62/23/1055256223.db2.gz VUIADWXWFWVROO-HRCADAONSA-N 1 0 360.458 2.586 20 5 FFBDRO COc1ccc(CNC(=[NH2+])NCc2cccc([N+](=O)[O-])c2C)cc1OC ZINC000849093057 1055637331 /nfs/dbraw/zinc/63/73/31/1055637331.db2.gz PDRMISTXZRIIGI-UHFFFAOYSA-N 1 0 358.398 2.735 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@H]2C1 ZINC001352760268 1055773026 /nfs/dbraw/zinc/77/30/26/1055773026.db2.gz ITAXHVFFOGTQJS-IHRRRGAJSA-N 1 0 362.430 2.797 20 5 FFBDRO Nc1c(C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)cc2ccccc2c1[N+](=O)[O-] ZINC001350573099 1055841170 /nfs/dbraw/zinc/84/11/70/1055841170.db2.gz HRZITOGRTSERLI-AWEZNQCLSA-N 1 0 354.410 2.641 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N2CCc3c2ccc([N+](=O)[O-])c3F)C1 ZINC001544010822 1071580836 /nfs/dbraw/zinc/58/08/36/1071580836.db2.gz HLVZSDSPBPMVKX-QGZVFWFLSA-N 1 0 353.369 2.836 20 5 FFBDRO O=C(N1CCCC2(CC[NH2+]CC2)C1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC001351279414 1056169897 /nfs/dbraw/zinc/16/98/97/1056169897.db2.gz ONKILHLRKPHSDF-UHFFFAOYSA-N 1 0 369.368 2.559 20 5 FFBDRO C[C@@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)CCC(=O)N2 ZINC001353232658 1056213150 /nfs/dbraw/zinc/21/31/50/1056213150.db2.gz WZRQJZPPTANXFN-XIKOKIGWSA-N 1 0 355.394 2.864 20 5 FFBDRO C[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](C)C1)[NH+](C)C ZINC001544324784 1071627790 /nfs/dbraw/zinc/62/77/90/1071627790.db2.gz OEGFVCHVUPANCR-KGLIPLIRSA-N 1 0 358.446 2.650 20 5 FFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc(C2CC[NH+](C)CC2)n1C ZINC001339403637 1056417823 /nfs/dbraw/zinc/41/78/23/1056417823.db2.gz QXDLKPFESYEDBG-UHFFFAOYSA-N 1 0 372.473 2.948 20 5 FFBDRO CN1CC[NH+](CC2CCN(c3nccc4cc([N+](=O)[O-])ccc43)CC2)CC1 ZINC001354088547 1058581018 /nfs/dbraw/zinc/58/10/18/1058581018.db2.gz BQZBVUVQUXCIGW-UHFFFAOYSA-N 1 0 369.469 2.607 20 5 FFBDRO CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCC[NH+]1CCCC1 ZINC001501456619 1058666958 /nfs/dbraw/zinc/66/69/58/1058666958.db2.gz JONMENUPLMBLNT-UHFFFAOYSA-N 1 0 358.446 2.795 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC001519644887 1058915197 /nfs/dbraw/zinc/91/51/97/1058915197.db2.gz YJNGAGPUFIEQSH-UHFFFAOYSA-N 1 0 374.397 2.581 20 5 FFBDRO CCOC(=O)c1cc([N+](=O)[O-])c(N2CCN(c3cc[nH+]cc3)CC2)cc1C ZINC001472643530 1058982457 /nfs/dbraw/zinc/98/24/57/1058982457.db2.gz DMORNUGJZGEEOZ-UHFFFAOYSA-N 1 0 370.409 2.802 20 5 FFBDRO O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001354571192 1059182004 /nfs/dbraw/zinc/18/20/04/1059182004.db2.gz UVBYSZVNDHVDPK-UHOSZYNNSA-N 1 0 351.406 2.529 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C[C@@H]1C ZINC001520129942 1059416927 /nfs/dbraw/zinc/41/69/27/1059416927.db2.gz XEIZKAUHCJOMQZ-STQMWFEESA-N 1 0 350.419 2.940 20 5 FFBDRO C[C@H](CC[NH+](C)C)C(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC001455244334 1059738202 /nfs/dbraw/zinc/73/82/02/1059738202.db2.gz GHCOOWYWPCZFHG-SNVBAGLBSA-N 1 0 358.236 2.561 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@H](CC[NH+](C)C)C1 ZINC001455630340 1059842153 /nfs/dbraw/zinc/84/21/53/1059842153.db2.gz KKJYXAWQFYLQMY-OLZOCXBDSA-N 1 0 369.849 2.816 20 5 FFBDRO CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001455679657 1059864222 /nfs/dbraw/zinc/86/42/22/1059864222.db2.gz TWCCIUMYNIMVLD-KRWDZBQOSA-N 1 0 373.457 2.640 20 5 FFBDRO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC[C@]2(C1)CCCC[NH2+]2 ZINC001355198370 1059983487 /nfs/dbraw/zinc/98/34/87/1059983487.db2.gz FQIBZAZHVBLZME-HNNXBMFYSA-N 1 0 368.231 2.716 20 5 FFBDRO CCC[N@@H+]1CC[C@H](Cn2c(C)nnc2N(C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001547168157 1071928259 /nfs/dbraw/zinc/92/82/59/1071928259.db2.gz JHSIBPAXUKHJJZ-INIZCTEOSA-N 1 0 372.473 2.863 20 5 FFBDRO O=[N+]([O-])c1ccccc1-c1cnn(CN2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000848473894 1060088484 /nfs/dbraw/zinc/08/84/84/1060088484.db2.gz POODGZFLEJWBJS-UHFFFAOYSA-N 1 0 364.409 2.633 20 5 FFBDRO CC(=O)NCC[C@@H]1CCC[N@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C1 ZINC000848486343 1060128846 /nfs/dbraw/zinc/12/88/46/1060128846.db2.gz GNTMVKVQEKEXAO-INIZCTEOSA-N 1 0 371.441 2.654 20 5 FFBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000848487455 1060138027 /nfs/dbraw/zinc/13/80/27/1060138027.db2.gz VFBLVPDCFPDNHX-NVXWUHKLSA-N 1 0 355.442 2.974 20 5 FFBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000848587246 1060317908 /nfs/dbraw/zinc/31/79/08/1060317908.db2.gz GVHNOIZTRMQDSH-CYBMUJFWSA-N 1 0 371.384 2.757 20 5 FFBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000848587569 1060318685 /nfs/dbraw/zinc/31/86/85/1060318685.db2.gz JNVXGRRICVWMEN-ZDUSSCGKSA-N 1 0 371.384 2.757 20 5 FFBDRO CC1=CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H](C)[NH+](C)C)CC1 ZINC001511393123 1060338443 /nfs/dbraw/zinc/33/84/43/1060338443.db2.gz JQIJKVRWLASBNL-HNNXBMFYSA-N 1 0 370.457 2.960 20 5 FFBDRO CC(C)Oc1nc(NC2CC[NH+](C[C@H]3CCCO3)CC2)ccc1[N+](=O)[O-] ZINC000848645352 1060393872 /nfs/dbraw/zinc/39/38/72/1060393872.db2.gz JLNXAQPBCHSBSU-OAHLLOKOSA-N 1 0 364.446 2.832 20 5 FFBDRO CC(C)Oc1nc(N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)ccc1[N+](=O)[O-] ZINC001458594280 1060630420 /nfs/dbraw/zinc/63/04/20/1060630420.db2.gz MBFRLEAUJPTARW-TZMCWYRMSA-N 1 0 352.460 2.769 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC[C@@H]([NH+]3CCOCC3)CC2)c(OC(F)F)c1 ZINC000848795010 1060717352 /nfs/dbraw/zinc/71/73/52/1060717352.db2.gz CQPDQDGEVZIWFY-CYBMUJFWSA-N 1 0 371.384 2.887 20 5 FFBDRO O=C([C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001521546927 1060954612 /nfs/dbraw/zinc/95/46/12/1060954612.db2.gz OEGFJHYFRRCHFF-PSBWJHGTSA-N 1 0 357.454 2.937 20 5 FFBDRO Cc1ccc(S(=O)(=O)NCCC2CC[NH+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC001475543063 1061133399 /nfs/dbraw/zinc/13/33/99/1061133399.db2.gz UMMMGHFPLJZGSR-UHFFFAOYSA-N 1 0 369.487 2.692 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H]1CCOC12CCCCC2 ZINC001460892255 1061141482 /nfs/dbraw/zinc/14/14/82/1061141482.db2.gz UKXUYAQDQFGDPR-INIZCTEOSA-N 1 0 363.414 2.623 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCC(c3ccc4[nH]ccc4c3)CC2)c1 ZINC001460905695 1061146242 /nfs/dbraw/zinc/14/62/42/1061146242.db2.gz WSRLNDCVUNBZNO-GOSISDBHSA-N 1 0 369.425 2.513 20 5 FFBDRO C[N@H+](CCNC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC001526656349 1061205308 /nfs/dbraw/zinc/20/53/08/1061205308.db2.gz PZENGRXWGLQVCU-OALUTQOASA-N 1 0 353.422 2.947 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NC1CCN(c2cc[nH+]cc2)CC1 ZINC001476452240 1061413771 /nfs/dbraw/zinc/41/37/71/1061413771.db2.gz CRKFLRLHLIJIRC-UHFFFAOYSA-N 1 0 371.397 2.789 20 5 FFBDRO Nc1c(NC(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)cc(Cl)cc1[N+](=O)[O-] ZINC001476915806 1061509635 /nfs/dbraw/zinc/50/96/35/1061509635.db2.gz CFHWJWURBNQMOL-LBPRGKRZSA-N 1 0 367.837 2.969 20 5 FFBDRO COc1c(O)ccc(C[NH2+]C[C@H](O)c2cc(F)cc(Cl)c2)c1[N+](=O)[O-] ZINC001462174317 1061528461 /nfs/dbraw/zinc/52/84/61/1061528461.db2.gz DUOBEOGLPPOXNQ-AWEZNQCLSA-N 1 0 370.764 2.925 20 5 FFBDRO Cc1cc(S(=O)(=O)NCCC[N@H+]2CCCC[C@H]2C)c(C)cc1[N+](=O)[O-] ZINC001462737527 1061751915 /nfs/dbraw/zinc/75/19/15/1061751915.db2.gz CWBWFRCHAFAYOV-OAHLLOKOSA-N 1 0 369.487 2.754 20 5 FFBDRO O=C(Nc1cnc2ccccc2n1)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC001361211545 1062120320 /nfs/dbraw/zinc/12/03/20/1062120320.db2.gz RYTWABJCDQDMOA-UHFFFAOYSA-N 1 0 360.333 2.976 20 5 FFBDRO COc1cc(C(=O)N2CCC(C)(C)[NH2+]C(C)(C)C2)c([N+](=O)[O-])cc1OC ZINC001529320729 1062267804 /nfs/dbraw/zinc/26/78/04/1062267804.db2.gz LXDPIIOFTDXKSF-UHFFFAOYSA-N 1 0 365.430 2.605 20 5 FFBDRO [NH3+]CC[C@@H]1CCN(C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C1 ZINC001523019578 1062362408 /nfs/dbraw/zinc/36/24/08/1062362408.db2.gz VKPNUCWQMLVPRE-LLVKDONJSA-N 1 0 371.387 2.770 20 5 FFBDRO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001435044001 1062381339 /nfs/dbraw/zinc/38/13/39/1062381339.db2.gz JPDGVUPMLGYANQ-HZPDHXFCSA-N 1 0 356.426 2.933 20 5 FFBDRO CC(C)C[C@H](CNC(=O)COc1ccc([N+](=O)[O-])c2cccnc12)[NH+](C)C ZINC001464875415 1062889625 /nfs/dbraw/zinc/88/96/25/1062889625.db2.gz RNFCVVBTHMOKEA-CQSZACIVSA-N 1 0 374.441 2.614 20 5 FFBDRO C[NH+](C)[C@H](CNC(=O)CCc1cc(F)ccc1[N+](=O)[O-])Cc1ccccc1 ZINC001440670852 1063331330 /nfs/dbraw/zinc/33/13/30/1063331330.db2.gz CRZZNQCNHZDJAL-SFHVURJKSA-N 1 0 373.428 2.956 20 5 FFBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC2(C1)C[NH+](Cc1ccccc1)C2 ZINC001471093408 1064556197 /nfs/dbraw/zinc/55/61/97/1064556197.db2.gz PMLPRCNEJGICNU-UHFFFAOYSA-N 1 0 355.369 2.692 20 5 FFBDRO O=[N+]([O-])c1c2ccncc2ccc1N1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001472900528 1065171440 /nfs/dbraw/zinc/17/14/40/1065171440.db2.gz RKKPWTMMFPVPTE-UHFFFAOYSA-N 1 0 370.453 2.960 20 5 FFBDRO CCOC(=O)[C@@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H]1C(F)(F)F ZINC001473769320 1065352944 /nfs/dbraw/zinc/35/29/44/1065352944.db2.gz GJMCXUVTCOUVJD-ZIAGYGMSSA-N 1 0 360.332 2.811 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+]CC1(C2(O)CCC2)CCC1 ZINC001473786814 1065360964 /nfs/dbraw/zinc/36/09/64/1065360964.db2.gz NCKIDUDAUPHGBR-UHFFFAOYSA-N 1 0 361.442 2.907 20 5 FFBDRO Cc1cccnc1[C@@H](C)[NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC001473879541 1065402924 /nfs/dbraw/zinc/40/29/24/1065402924.db2.gz QOCFHVWLPPKLPS-CYBMUJFWSA-N 1 0 356.382 2.947 20 5 FFBDRO CN(c1ccccc1)c1ccc(C[NH2+][C@@H](CO)[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC001474094110 1065455445 /nfs/dbraw/zinc/45/54/45/1065455445.db2.gz GMNTVZKDPCSEAI-WMZOPIPTSA-N 1 0 371.437 2.850 20 5 FFBDRO C[C@H]1[NH2+]CCN(C(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)[C@@H]1C ZINC001576893248 1078284640 /nfs/dbraw/zinc/28/46/40/1078284640.db2.gz FEPLVHKWIHDOPK-RNFRBKRXSA-N 1 0 350.177 2.863 20 5 FFBDRO CCN(C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)C1CC[NH2+]CC1 ZINC001577638830 1078384080 /nfs/dbraw/zinc/38/40/80/1078384080.db2.gz ASMDCUCWMBYMEZ-UHFFFAOYSA-N 1 0 358.345 2.802 20 5 FFBDRO CCN(C(=O)c1cccc([N+](=O)[O-])c1Br)[C@@H]1CCC[NH2+]C1 ZINC001577646081 1078384853 /nfs/dbraw/zinc/38/48/53/1078384853.db2.gz GULPGFFBNBEQPK-SNVBAGLBSA-N 1 0 356.220 2.571 20 5 FFBDRO CN(CC1CC[NH2+]CC1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC001578458718 1078476209 /nfs/dbraw/zinc/47/62/09/1078476209.db2.gz UJETVCZFRWMQAQ-UHFFFAOYSA-N 1 0 358.345 2.660 20 5 FFBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1C[NH2+]C[C@H]1Cc1ccccc1 ZINC001578480242 1078478942 /nfs/dbraw/zinc/47/89/42/1078478942.db2.gz CIVZNYDBSRTDQL-RTBURBONSA-N 1 0 367.449 2.674 20 5 FFBDRO C[NH2+][C@H](CNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)Cc1ccccc1 ZINC001578590431 1078496114 /nfs/dbraw/zinc/49/61/14/1078496114.db2.gz SUYWEOGIVQXWLG-HIFRSBDPSA-N 1 0 359.401 2.784 20 5 FFBDRO C[NH2+]CCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](C2CC2)C1 ZINC001578693973 1078518449 /nfs/dbraw/zinc/51/84/49/1078518449.db2.gz DXPVZJABGABQQE-MRXNPFEDSA-N 1 0 370.457 2.699 20 5 FFBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCOc2ccc(C[NH3+])cc21 ZINC001579392864 1078625002 /nfs/dbraw/zinc/62/50/02/1078625002.db2.gz DVPVFSNUMFPKNC-UHFFFAOYSA-N 1 0 359.407 2.815 20 5 FFBDRO Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001579828009 1078693172 /nfs/dbraw/zinc/69/31/72/1078693172.db2.gz YIJYFIBMDXJNIB-CZUORRHYSA-N 1 0 357.414 2.515 20 5 FFBDRO [NH3+][C@H]1CCO[C@@H](C2CCN(c3ccc([N+](=O)[O-])c4cnccc43)CC2)C1 ZINC001580200979 1078765336 /nfs/dbraw/zinc/76/53/36/1078765336.db2.gz VZUYWRSAELGHJO-IFXJQAMLSA-N 1 0 356.426 2.866 20 5 FFBDRO [NH3+]Cc1ccccc1CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC001580347541 1078790009 /nfs/dbraw/zinc/79/00/09/1078790009.db2.gz BWHDMJABLOSJGF-UHFFFAOYSA-N 1 0 351.309 2.585 20 5 FFBDRO [NH3+][C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H]1c1ccccc1F ZINC001580394834 1078796859 /nfs/dbraw/zinc/79/68/59/1078796859.db2.gz CSOSZBRTDLPKTP-DZGCQCFKSA-N 1 0 355.373 2.537 20 5 FFBDRO Nc1c(C(=O)N2CCC[C@H]3C[NH2+]CC[C@@H]32)cc2ccccc2c1[N+](=O)[O-] ZINC001580431551 1078801876 /nfs/dbraw/zinc/80/18/76/1078801876.db2.gz LIWAFBLGBNYBNQ-BBRMVZONSA-N 1 0 354.410 2.544 20 5 FFBDRO O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N1CC[NH2+]CC12CCCCC2 ZINC001580569945 1078827689 /nfs/dbraw/zinc/82/76/89/1078827689.db2.gz IJNYHAAIFUNLNE-UHFFFAOYSA-N 1 0 351.834 2.925 20 5 FFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CC[NH2+]CC12CCCCC2 ZINC001580570340 1078828049 /nfs/dbraw/zinc/82/80/49/1078828049.db2.gz ZEZHBMUXMSXLSA-UHFFFAOYSA-N 1 0 351.834 2.925 20 5 FFBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC001556098827 1075700273 /nfs/dbraw/zinc/70/02/73/1075700273.db2.gz ZLXFLOFEBDPKCL-KBXCAEBGSA-N 1 0 371.412 2.913 20 5 FFBDRO C[C@@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001585774453 1079499407 /nfs/dbraw/zinc/49/94/07/1079499407.db2.gz AGRLUSPIWAYBHY-BBRMVZONSA-N 1 0 351.422 2.855 20 5 FFBDRO CC[NH+](CC)CCOCCNc1c2cc(Cl)ccc2ncc1[N+](=O)[O-] ZINC001559160843 1076131222 /nfs/dbraw/zinc/13/12/22/1076131222.db2.gz GDEJYBAXXTVPGV-UHFFFAOYSA-N 1 0 366.849 2.989 20 5 FFBDRO Cn1c2ccccc2c(N2CC[NH2+]C3(CCCCC3)C2)c([N+](=O)[O-])c1=O ZINC001559285200 1076146046 /nfs/dbraw/zinc/14/60/46/1076146046.db2.gz FTMTXFUXUVTLEC-UHFFFAOYSA-N 1 0 356.426 2.559 20 5 FFBDRO C[N@@H+]1CC[C@H]2CN(Cc3ccc([N+](=O)[O-])cc3Br)CC[C@H]21 ZINC001560077494 1076222631 /nfs/dbraw/zinc/22/26/31/1076222631.db2.gz ODUGDNFBXCDJTP-SWLSCSKDSA-N 1 0 354.248 2.883 20 5 FFBDRO CC[C@@H]1CCC[C@@H]([NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001560316698 1076262940 /nfs/dbraw/zinc/26/29/40/1076262940.db2.gz HRTPWFUUUCYAPX-HUUCEWRRSA-N 1 0 369.487 2.822 20 5 FFBDRO COc1ccc(C[NH2+]Cc2ccc(-n3cncn3)c(F)c2)cc1[N+](=O)[O-] ZINC001560318781 1076264117 /nfs/dbraw/zinc/26/41/17/1076264117.db2.gz CDJOWHYGIKPXNW-UHFFFAOYSA-N 1 0 357.345 2.613 20 5 FFBDRO C[C@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 ZINC001560588358 1076282101 /nfs/dbraw/zinc/28/21/01/1076282101.db2.gz UXVSXZXTPOTKLR-JTQLQIEISA-N 1 0 369.830 2.746 20 5 FFBDRO COC(=O)[C@@]1(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCOC1 ZINC001560624721 1076285710 /nfs/dbraw/zinc/28/57/10/1076285710.db2.gz XSZVPLXRUCWPSI-GOSISDBHSA-N 1 0 360.366 2.524 20 5 FFBDRO C[NH+](C)Cc1ccc(S(=O)(=O)Oc2ccc([N+](=O)[O-])c(F)c2F)cc1 ZINC001561605967 1076397978 /nfs/dbraw/zinc/39/79/78/1076397978.db2.gz MQVVLLZFFOIDOC-UHFFFAOYSA-N 1 0 372.349 2.702 20 5 FFBDRO C[NH+](C)[C@@H]1C[C@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC001585891946 1079510254 /nfs/dbraw/zinc/51/02/54/1079510254.db2.gz REQXRKATNKFNOB-DLBZAZTESA-N 1 0 360.458 2.776 20 5 FFBDRO C[NH+](C)[C@@H]1C[C@@H](NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C12CCC2 ZINC001585898846 1079511323 /nfs/dbraw/zinc/51/13/23/1079511323.db2.gz GFDWWCHSGXLZFB-HUUCEWRRSA-N 1 0 369.824 2.919 20 5 FFBDRO CC(C)([NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1cccc(-c2nn[nH]n2)c1 ZINC001589321683 1080482279 /nfs/dbraw/zinc/48/22/79/1080482279.db2.gz KGMOLMFXFXTWIX-UHFFFAOYSA-N 1 0 356.361 2.939 20 5 FFBDRO CC(C)[NH+]1CCC(CCNc2cccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 ZINC001589709098 1080682157 /nfs/dbraw/zinc/68/21/57/1080682157.db2.gz WOJRBSUABSGJTL-UHFFFAOYSA-N 1 0 359.434 2.697 20 5 FFBDRO C[C@H](CNc1cc(-c2nn[nH]n2)ccc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC001589876318 1080825832 /nfs/dbraw/zinc/82/58/32/1080825832.db2.gz UUDLZRNMCHPRFI-CYBMUJFWSA-N 1 0 367.413 2.707 20 5 FFBDRO C[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)c(Cl)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC001589966845 1080909312 /nfs/dbraw/zinc/90/93/12/1080909312.db2.gz BCMJUIOVQRMSGR-VIFPVBQESA-N 1 0 373.804 2.861 20 5 FFBDRO C[C@H]1CN(C(C)(C)CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000115414906 210171032 /nfs/dbraw/zinc/17/10/32/210171032.db2.gz KNYLJHMRGBTAJE-RYUDHWBXSA-N 1 0 352.391 2.803 20 5 FFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000377088854 512119132 /nfs/dbraw/zinc/11/91/32/512119132.db2.gz AOTKPGYOCGNEIR-RDTXWAMCSA-N 1 0 354.410 2.691 20 5 FFBDRO COc1cc(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)ccc1[N+](=O)[O-] ZINC000093191542 250021632 /nfs/dbraw/zinc/02/16/32/250021632.db2.gz WGLOPMZYQGLGJU-UHFFFAOYSA-N 1 0 370.409 2.645 20 5 FFBDRO C[C@H]1C[C@H]([N@H+](C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCN1C ZINC000093643726 250039023 /nfs/dbraw/zinc/03/90/23/250039023.db2.gz HMVXHNNZSXELAV-KBXCAEBGSA-N 1 0 357.458 2.910 20 5 FFBDRO COc1cc[nH+]c(N2CCN(C(=O)Nc3cc([N+](=O)[O-])ccc3C)CC2)c1 ZINC000104970163 250191828 /nfs/dbraw/zinc/19/18/28/250191828.db2.gz AUSVOMLWAMKNMG-UHFFFAOYSA-N 1 0 371.397 2.661 20 5 FFBDRO C[N@H+](CCNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)C1CCCC1 ZINC000104572494 250180151 /nfs/dbraw/zinc/18/01/51/250180151.db2.gz MVAFSRSSFJKIEV-UHFFFAOYSA-N 1 0 374.485 2.802 20 5 FFBDRO Cn1cc(C[N@H+](C)C[C@H]2CCCC[C@@H]2O)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000181099011 251241536 /nfs/dbraw/zinc/24/15/36/251241536.db2.gz GWYQKHAXGFFSRA-QAPCUYQASA-N 1 0 358.442 2.978 20 5 FFBDRO CS[C@H]1CN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H]1[NH+](C)C ZINC000271985068 251926845 /nfs/dbraw/zinc/92/68/45/251926845.db2.gz FEPBSBRPNVPUPV-HOTGVXAUSA-N 1 0 362.455 2.727 20 5 FFBDRO COc1cc(C[NH2+]CCCn2cccn2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272437112 252038555 /nfs/dbraw/zinc/03/85/55/252038555.db2.gz OBTGPKJCQCJPKD-UHFFFAOYSA-N 1 0 370.356 2.624 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000275547176 256022600 /nfs/dbraw/zinc/02/26/00/256022600.db2.gz BIMQELCCQIGCBO-GFCCVEGCSA-N 1 0 350.419 2.797 20 5 FFBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000285755330 257003019 /nfs/dbraw/zinc/00/30/19/257003019.db2.gz ZBJSRIKNICGOLO-GXTWGEPZSA-N 1 0 366.849 2.745 20 5 FFBDRO CCCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CC1 ZINC000276051667 256068725 /nfs/dbraw/zinc/06/87/25/256068725.db2.gz JBOHVBNDUBAUAM-UHFFFAOYSA-N 1 0 355.460 2.675 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCCN(CC(=O)N2CCCC2)CC1 ZINC000276141749 256076118 /nfs/dbraw/zinc/07/61/18/256076118.db2.gz OPCUUBLANGODRF-QGZVFWFLSA-N 1 0 374.485 2.594 20 5 FFBDRO C[C@@H]1CC[C@H](C[N@@H+]2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)O1 ZINC000276472992 256103491 /nfs/dbraw/zinc/10/34/91/256103491.db2.gz ZDRALMGMUIXFTC-UKRRQHHQSA-N 1 0 359.430 2.551 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000277199419 256171702 /nfs/dbraw/zinc/17/17/02/256171702.db2.gz FKYUVUSDSZOFAY-DYVFJYSZSA-N 1 0 359.426 2.692 20 5 FFBDRO COc1cc(C[NH2+][C@H]2CCOC[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000277439639 256198150 /nfs/dbraw/zinc/19/81/50/256198150.db2.gz LFKFATZANBVBPV-JQWIXIFHSA-N 1 0 360.357 2.762 20 5 FFBDRO Cc1c(Cc2nc([C@H]3CN4CCCC[C@H]4CO3)no2)cccc1[N+](=O)[O-] ZINC000278057578 256271609 /nfs/dbraw/zinc/27/16/09/256271609.db2.gz MFSFOYWAJLYWDR-GOEBONIOSA-N 1 0 358.398 2.803 20 5 FFBDRO O=[N+]([O-])c1ccc2[nH]c(N3CCC(OCC[NH+]4CCCC4)CC3)nc2c1 ZINC000278436267 256312758 /nfs/dbraw/zinc/31/27/58/256312758.db2.gz JZEMQYAQNBQMKD-UHFFFAOYSA-N 1 0 359.430 2.552 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H](NC1CC[NH+]([C@H]3CCC[C@H]3O)CC1)CCC2 ZINC000278688335 256338318 /nfs/dbraw/zinc/33/83/18/256338318.db2.gz KFRIXKDTCKGTKL-HSALFYBXSA-N 1 0 359.470 2.940 20 5 FFBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000278732456 256342472 /nfs/dbraw/zinc/34/24/72/256342472.db2.gz RZFBBSYZUZZWCU-CQSZACIVSA-N 1 0 369.849 2.523 20 5 FFBDRO CC1(C)C[C@H]([NH2+]C[C@@H]2COC3(CCOCC3)O2)c2cc([N+](=O)[O-])ccc21 ZINC000279169540 256389430 /nfs/dbraw/zinc/38/94/30/256389430.db2.gz UPVGJNRLOJPYGL-PBHICJAKSA-N 1 0 362.426 2.829 20 5 FFBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000279266040 256399787 /nfs/dbraw/zinc/39/97/87/256399787.db2.gz JUXOWPVNCDRGDZ-YGRLFVJLSA-N 1 0 357.813 2.728 20 5 FFBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000285811584 257006080 /nfs/dbraw/zinc/00/60/80/257006080.db2.gz NJAVOBNTRHZPSU-BBRMVZONSA-N 1 0 358.442 2.868 20 5 FFBDRO CN(C(=O)CCCNc1ccc([N+](=O)[O-])cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000286117486 257021076 /nfs/dbraw/zinc/02/10/76/257021076.db2.gz GJSAHDFAGDCRNO-JWTNVVGKSA-N 1 0 360.458 2.871 20 5 FFBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000286473016 257038612 /nfs/dbraw/zinc/03/86/12/257038612.db2.gz VZVWVDZZNZZCTD-NVXWUHKLSA-N 1 0 372.469 2.894 20 5 FFBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000286619216 257046209 /nfs/dbraw/zinc/04/62/09/257046209.db2.gz AHNRLQKIWOWTRO-DOTOQJQBSA-N 1 0 372.469 2.894 20 5 FFBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000287044064 257068924 /nfs/dbraw/zinc/06/89/24/257068924.db2.gz SYZKQAQIGPFBLG-BBRMVZONSA-N 1 0 357.414 2.703 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CC[C@](CO)(Cc3ccc(F)cc3)C2)c1 ZINC000288680378 257217817 /nfs/dbraw/zinc/21/78/17/257217817.db2.gz CRJXSCPJMDHXTE-UXHICEINSA-N 1 0 374.412 2.694 20 5 FFBDRO C[C@@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC[N@@H+]1CC(C)(C)O ZINC000289514830 257285148 /nfs/dbraw/zinc/28/51/48/257285148.db2.gz BXHDKFWNAYAEBP-LLVKDONJSA-N 1 0 370.837 2.557 20 5 FFBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000289900155 257305489 /nfs/dbraw/zinc/30/54/89/257305489.db2.gz UHHBJUVXFQEJGN-JKSUJKDBSA-N 1 0 372.469 2.513 20 5 FFBDRO O=[N+]([O-])c1ccc2oc(C[N@H+]3CC[C@](CO)(c4ccccc4)C3)nc2c1 ZINC000291150205 257388072 /nfs/dbraw/zinc/38/80/72/257388072.db2.gz AGORILMIDXXXQI-IBGZPJMESA-N 1 0 353.378 2.872 20 5 FFBDRO CC1(C)C[C@H](O)CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000296238021 257685798 /nfs/dbraw/zinc/68/57/98/257685798.db2.gz WXGJLJIRLCNSLY-CYBMUJFWSA-N 1 0 353.394 2.545 20 5 FFBDRO Cc1cc(F)c(NC(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000296901207 257765011 /nfs/dbraw/zinc/76/50/11/257765011.db2.gz XVSBIMODEPXZEK-ZDUSSCGKSA-N 1 0 368.409 2.665 20 5 FFBDRO COc1ccc(CNC(=O)NC2CC[NH+](CC(C)C)CC2)cc1[N+](=O)[O-] ZINC000298929268 257950094 /nfs/dbraw/zinc/95/00/94/257950094.db2.gz LJGMCCTWHGNARE-UHFFFAOYSA-N 1 0 364.446 2.523 20 5 FFBDRO CCC(CC)(CC(=O)OC)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000298746263 257937699 /nfs/dbraw/zinc/93/76/99/257937699.db2.gz WFSSZRYTOSPFOO-UHFFFAOYSA-N 1 0 351.403 2.635 20 5 FFBDRO C[C@@H]1CCC[C@](CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])([NH+](C)C)C1 ZINC000301102694 258025656 /nfs/dbraw/zinc/02/56/56/258025656.db2.gz RWFQCLXYJIXYTD-DYVFJYSZSA-N 1 0 369.487 2.921 20 5 FFBDRO CC[NH+]1CCN(CCCNc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000301199985 258033450 /nfs/dbraw/zinc/03/34/50/258033450.db2.gz WBPNZRSADLXJHK-UHFFFAOYSA-N 1 0 371.279 2.797 20 5 FFBDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000302027093 258082960 /nfs/dbraw/zinc/08/29/60/258082960.db2.gz HDXAWDXUYXMICH-LSDHHAIUSA-N 1 0 358.446 2.728 20 5 FFBDRO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000302394313 258100440 /nfs/dbraw/zinc/10/04/40/258100440.db2.gz CPJNGTFGCLDMFQ-IBGZPJMESA-N 1 0 359.401 2.807 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000302481390 258103374 /nfs/dbraw/zinc/10/33/74/258103374.db2.gz WMKNQOGKNCMUMZ-FQEVSTJZSA-N 1 0 355.438 2.976 20 5 FFBDRO Cc1cc(N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000302476620 258103487 /nfs/dbraw/zinc/10/34/87/258103487.db2.gz FJAJJLSUBWGNLF-AWEZNQCLSA-N 1 0 358.442 2.733 20 5 FFBDRO CC[C@H]1CN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC[N@@H+]1C[C@H](C)O ZINC000301428786 258049114 /nfs/dbraw/zinc/04/91/14/258049114.db2.gz FEGREVFYOMLCKL-RYUDHWBXSA-N 1 0 361.364 2.895 20 5 FFBDRO CC(C)(C)NC(=O)C[NH+]1CCC(CNc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000301530934 258054247 /nfs/dbraw/zinc/05/42/47/258054247.db2.gz JVYSQVYCSJDDLY-UHFFFAOYSA-N 1 0 366.437 2.773 20 5 FFBDRO CC(C)C[N@@H+]1CCC[C@@H]1CNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000301879705 258072515 /nfs/dbraw/zinc/07/25/15/258072515.db2.gz JUEMTXKGAHXTJY-CYBMUJFWSA-N 1 0 355.460 2.531 20 5 FFBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000301884068 258072797 /nfs/dbraw/zinc/07/27/97/258072797.db2.gz LJRFXFMTTPJLRQ-MGPQQGTHSA-N 1 0 369.487 2.777 20 5 FFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000301996821 258080673 /nfs/dbraw/zinc/08/06/73/258080673.db2.gz OUXVRMUCWQCAEX-OAHLLOKOSA-N 1 0 366.425 2.738 20 5 FFBDRO Cc1c(NC(=O)CCN2C[C@H]3CCCC[N@H+]3C[C@H]2C)cccc1[N+](=O)[O-] ZINC000332008719 258210047 /nfs/dbraw/zinc/21/00/47/258210047.db2.gz JSUQEZANNSMVID-GDBMZVCRSA-N 1 0 360.458 2.790 20 5 FFBDRO CS[C@@H]1CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000332069346 258212392 /nfs/dbraw/zinc/21/23/92/258212392.db2.gz BBMSSMDOCCXUOB-UONOGXRCSA-N 1 0 369.874 2.900 20 5 FFBDRO COc1c(C(=O)N2CC[NH+](C3CCC(C)CC3)CC2)cccc1[N+](=O)[O-] ZINC000332398351 258228905 /nfs/dbraw/zinc/22/89/05/258228905.db2.gz QSYWQIHWZABYCR-UHFFFAOYSA-N 1 0 361.442 2.940 20 5 FFBDRO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCC(C[NH+]2CCCC2)CC1 ZINC000332468638 258231414 /nfs/dbraw/zinc/23/14/14/258231414.db2.gz SXOUAOPPODGASJ-UHFFFAOYSA-N 1 0 367.396 2.750 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000332529500 258233848 /nfs/dbraw/zinc/23/38/48/258233848.db2.gz GQTRXPFLSDOYRZ-RDJZCZTQSA-N 1 0 362.430 2.653 20 5 FFBDRO C[C@@H]1C[C@H](NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[N@@H+]1C ZINC000332656357 258239281 /nfs/dbraw/zinc/23/92/81/258239281.db2.gz JQUOXJYLIIKZTB-DGCLKSJQSA-N 1 0 360.439 2.931 20 5 FFBDRO C[NH+]1CCC([C@@H]2CCN(C(=O)Nc3cc(F)cc([N+](=O)[O-])c3)C2)CC1 ZINC000332717664 258240931 /nfs/dbraw/zinc/24/09/31/258240931.db2.gz ZWLQEIHZMBBMDT-CYBMUJFWSA-N 1 0 350.394 2.930 20 5 FFBDRO Cn1cc(N2CC[C@@H]([NH2+][C@@H](Cc3ccccc3[N+](=O)[O-])C3CC3)C2)cn1 ZINC000375028508 512128559 /nfs/dbraw/zinc/12/85/59/512128559.db2.gz CXLFKLFVJPHYHX-AEFFLSMTSA-N 1 0 355.442 2.518 20 5 FFBDRO O=C(COc1ccc([N+](=O)[O-])cc1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000032462860 506256718 /nfs/dbraw/zinc/25/67/18/506256718.db2.gz HGGYDRGSMFJOEH-UHFFFAOYSA-N 1 0 369.421 2.886 20 5 FFBDRO O=C1C[C@@H](c2ccccc2)[N@H+](CCOc2cccc([N+](=O)[O-])c2)CCN1 ZINC000052835519 506259568 /nfs/dbraw/zinc/25/95/68/506259568.db2.gz QBWSKWBVKCWRND-SFHVURJKSA-N 1 0 355.394 2.537 20 5 FFBDRO CC[NH+](CC)Cc1cccc(NC(=O)CCn2cc([N+](=O)[O-])nc2C)c1 ZINC000065749855 506358167 /nfs/dbraw/zinc/35/81/67/506358167.db2.gz FUNXLKHKKJZQNZ-UHFFFAOYSA-N 1 0 359.430 2.970 20 5 FFBDRO O=C1Nc2ccccc2[C@@]12CC[N@@H+](Cc1nc3cc([N+](=O)[O-])ccc3o1)C2 ZINC000375318790 512264904 /nfs/dbraw/zinc/26/49/04/512264904.db2.gz KFKHGZJFRYJHJD-IBGZPJMESA-N 1 0 364.361 2.832 20 5 FFBDRO Cc1n[nH]cc1C1CC[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000375329416 512271607 /nfs/dbraw/zinc/27/16/07/512271607.db2.gz ZKVUKFFJUFDBNM-UHFFFAOYSA-N 1 0 357.414 2.835 20 5 FFBDRO C[C@@H](CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)[NH+]1CCC(C)CC1 ZINC000065901194 506388048 /nfs/dbraw/zinc/38/80/48/506388048.db2.gz VYJNQWUUSZZWPB-HNNXBMFYSA-N 1 0 358.442 2.786 20 5 FFBDRO CNC(=O)c1ccc(N2CCC[N@H+](Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000053554479 506404132 /nfs/dbraw/zinc/40/41/32/506404132.db2.gz PBHBVYPUFMPPJA-UHFFFAOYSA-N 1 0 368.437 2.667 20 5 FFBDRO Cc1ccc(S(=O)(=O)N(CC(C)C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000053671996 506426790 /nfs/dbraw/zinc/42/67/90/506426790.db2.gz LOAPYURKSYJXEL-UHFFFAOYSA-N 1 0 369.487 2.644 20 5 FFBDRO C[C@@H](CNC(=O)NCCNc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC[C@@H]1C ZINC000041488275 506526368 /nfs/dbraw/zinc/52/63/68/506526368.db2.gz GENIVHUUFMKSFQ-GJZGRUSLSA-N 1 0 363.462 2.569 20 5 FFBDRO COc1cccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])o2)[NH+]2CCCC2)c1 ZINC000041596632 506534895 /nfs/dbraw/zinc/53/48/95/506534895.db2.gz IXFLVIQRJAYTJI-OAHLLOKOSA-N 1 0 359.382 2.763 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH+]2CCC(c3ccc(O)cc3)CC2)c1 ZINC000055290654 506719880 /nfs/dbraw/zinc/71/98/80/506719880.db2.gz RBQBASWKZBAVIJ-IBGZPJMESA-N 1 0 372.421 2.920 20 5 FFBDRO CCC[NH+]1CCC(N(C)S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)CC1 ZINC000055298109 506722475 /nfs/dbraw/zinc/72/24/75/506722475.db2.gz YDGGKINERLVXFF-UHFFFAOYSA-N 1 0 369.487 2.707 20 5 FFBDRO C[C@H](CNC(=O)NCc1cccc([N+](=O)[O-])c1)[N@@H+]1CCc2ccccc2C1 ZINC000067724020 506990800 /nfs/dbraw/zinc/99/08/00/506990800.db2.gz MYFUNDMXWDMTPD-OAHLLOKOSA-N 1 0 368.437 2.841 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)c1 ZINC000067786202 507009303 /nfs/dbraw/zinc/00/93/03/507009303.db2.gz DTOOGUMOTMVBDX-HNNXBMFYSA-N 1 0 357.410 2.506 20 5 FFBDRO O=C(Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)c1ccc([N+](=O)[O-])o1 ZINC000056478990 507026236 /nfs/dbraw/zinc/02/62/36/507026236.db2.gz ZQSMERAHQIXSBB-UHFFFAOYSA-N 1 0 370.409 2.972 20 5 FFBDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000068084906 507104727 /nfs/dbraw/zinc/10/47/27/507104727.db2.gz UKZCCYDXNMMXHO-CYBMUJFWSA-N 1 0 359.430 2.856 20 5 FFBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000068132713 507123717 /nfs/dbraw/zinc/12/37/17/507123717.db2.gz ZQKOQVLEPMEVCA-MRXNPFEDSA-N 1 0 361.442 2.841 20 5 FFBDRO COc1cccc([C@@H](CNC(=O)c2cccc(C)c2[N+](=O)[O-])[NH+](C)C)c1 ZINC000057288624 507229444 /nfs/dbraw/zinc/22/94/44/507229444.db2.gz NYAJZVSEOIOUHO-QGZVFWFLSA-N 1 0 357.410 2.945 20 5 FFBDRO C[NH+](C)CCC1CCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000068467964 507242537 /nfs/dbraw/zinc/24/25/37/507242537.db2.gz HGWBCDGXVOMOER-UHFFFAOYSA-N 1 0 358.442 2.740 20 5 FFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000047147919 507272892 /nfs/dbraw/zinc/27/28/92/507272892.db2.gz QQEHUXYIZRTSEZ-ZIAGYGMSSA-N 1 0 351.472 2.924 20 5 FFBDRO CC[N@H+](C)[C@@H](C(=O)NCCNc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000057830404 507338234 /nfs/dbraw/zinc/33/82/34/507338234.db2.gz IRQWEVKWFCUSEA-GOSISDBHSA-N 1 0 356.426 2.816 20 5 FFBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000068935902 507364511 /nfs/dbraw/zinc/36/45/11/507364511.db2.gz BPUOKUSJDITXCG-OAHLLOKOSA-N 1 0 360.458 2.655 20 5 FFBDRO Cc1ccc(S(=O)(=O)N2CCC[C@H]2C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000069124848 507415241 /nfs/dbraw/zinc/41/52/41/507415241.db2.gz ZTDPTIGZEWGGRR-HNNXBMFYSA-N 1 0 367.471 2.542 20 5 FFBDRO COc1cccc([C@@H](CNC(=O)c2cc(OC)ccc2[N+](=O)[O-])[NH+](C)C)c1 ZINC000060063775 507511980 /nfs/dbraw/zinc/51/19/80/507511980.db2.gz BNYFFLORQKAILC-GOSISDBHSA-N 1 0 373.409 2.645 20 5 FFBDRO C[C@H](CNC(=O)COc1ccccc1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000025632894 507517581 /nfs/dbraw/zinc/51/75/81/507517581.db2.gz IXJWELOMULQXOG-OAHLLOKOSA-N 1 0 369.421 2.537 20 5 FFBDRO Cc1cccc(OCC[N@@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000025698302 507524724 /nfs/dbraw/zinc/52/47/24/507524724.db2.gz NKBRZMSPQYIRNM-KRWDZBQOSA-N 1 0 360.410 2.654 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCCC[N@H+]2CCCC[C@H]2C)cc1C ZINC000060497761 507553215 /nfs/dbraw/zinc/55/32/15/507553215.db2.gz LXZQHCMTPXFVRJ-OAHLLOKOSA-N 1 0 369.487 2.754 20 5 FFBDRO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000051049560 507728482 /nfs/dbraw/zinc/72/84/82/507728482.db2.gz NQLVPFXVEBTJCG-CVEARBPZSA-N 1 0 363.458 2.990 20 5 FFBDRO CC(C)(CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)[NH+]1CCCCC1 ZINC000063464732 507733303 /nfs/dbraw/zinc/73/33/03/507733303.db2.gz QLKWPSMBUAXXNX-UHFFFAOYSA-N 1 0 371.441 2.775 20 5 FFBDRO C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000072035677 507738514 /nfs/dbraw/zinc/73/85/14/507738514.db2.gz JBXLXNLSMYNINP-UHFFFAOYSA-N 1 0 358.398 2.896 20 5 FFBDRO CC(=O)Nc1cccc([C@@H](C)[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000028917727 507749950 /nfs/dbraw/zinc/74/99/50/507749950.db2.gz VQTBXTOPYYUWKN-FZKQIMNGSA-N 1 0 373.409 2.644 20 5 FFBDRO CC(C)[N@@H+]1CCC[C@H](CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000063738873 507767329 /nfs/dbraw/zinc/76/73/29/507767329.db2.gz IQSHYWCJVBPKIS-CYBMUJFWSA-N 1 0 355.460 2.531 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC(C)(C)C[NH+](C)C ZINC000064419664 507795802 /nfs/dbraw/zinc/79/58/02/507795802.db2.gz QJUMUDNVNCPNFW-LLVKDONJSA-N 1 0 357.838 2.720 20 5 FFBDRO O=[N+]([O-])c1c(NC2CC[NH+](Cc3ccncc3)CC2)nc2sccn21 ZINC000052447856 507809471 /nfs/dbraw/zinc/80/94/71/507809471.db2.gz SHFXFQIJJLUQQP-UHFFFAOYSA-N 1 0 358.427 2.776 20 5 FFBDRO O=C(CC1([NH+]2CCOCC2)CCCC1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000078149576 507840462 /nfs/dbraw/zinc/84/04/62/507840462.db2.gz LNLAUWAILQPJQL-UHFFFAOYSA-N 1 0 359.426 2.519 20 5 FFBDRO Cc1ccc([C@H](C)NC(=O)Nc2ccn(CC[NH+](C)C)n2)cc1[N+](=O)[O-] ZINC000078621227 507890078 /nfs/dbraw/zinc/89/00/78/507890078.db2.gz NTTHBLRQHXBOME-ZDUSSCGKSA-N 1 0 360.418 2.544 20 5 FFBDRO Cc1cnc(NCc2ccc(C[NH+]3CCC(O)CC3)cc2)c([N+](=O)[O-])c1 ZINC000078659912 507895022 /nfs/dbraw/zinc/89/50/22/507895022.db2.gz CJDAVCMWRVRPFH-UHFFFAOYSA-N 1 0 356.426 2.867 20 5 FFBDRO Cn1ccnc1C[C@@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000090003543 507899210 /nfs/dbraw/zinc/89/92/10/507899210.db2.gz MCQFXCCAJKFLAQ-ZDUSSCGKSA-N 1 0 355.398 2.924 20 5 FFBDRO CC[NH+](CC)CCOC1CCN(C(=O)c2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000073246263 507906578 /nfs/dbraw/zinc/90/65/78/507906578.db2.gz IHORZVBCKAADEM-UHFFFAOYSA-N 1 0 363.458 2.866 20 5 FFBDRO CC[C@H](CO)[NH+]1CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1 ZINC000090096809 507908375 /nfs/dbraw/zinc/90/83/75/507908375.db2.gz IPCGIGZJSMDMJQ-MRXNPFEDSA-N 1 0 356.426 2.550 20 5 FFBDRO C[NH+]1CCN(Cc2cccc(NC(=O)c3ccc([N+](=O)[O-])s3)c2)CC1 ZINC000108925848 507925764 /nfs/dbraw/zinc/92/57/64/507925764.db2.gz MDSOQMLKDHLIEA-UHFFFAOYSA-N 1 0 360.439 2.656 20 5 FFBDRO CN(CC(=O)NC[C@H](c1ccsc1)[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC000079492037 507967206 /nfs/dbraw/zinc/96/72/06/507967206.db2.gz NAWDXYVEMPDQMA-MRXNPFEDSA-N 1 0 362.455 2.512 20 5 FFBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC[C@H]([NH+](C)C)C1 ZINC000109810940 507989382 /nfs/dbraw/zinc/98/93/82/507989382.db2.gz HUDIGWLJTUBFFQ-YPMHNXCESA-N 1 0 354.838 2.601 20 5 FFBDRO C[NH+](C)CCCOc1cccc(NC(=O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000110489367 508030778 /nfs/dbraw/zinc/03/07/78/508030778.db2.gz ZXFDTANEZIKZPW-UHFFFAOYSA-N 1 0 373.409 2.943 20 5 FFBDRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000080125655 508041229 /nfs/dbraw/zinc/04/12/29/508041229.db2.gz AFXCPYKLNZYVMH-GFCCVEGCSA-N 1 0 357.332 2.828 20 5 FFBDRO COC(=O)c1cc(C(=O)NCCC[NH+](C(C)C)C(C)C)cc([N+](=O)[O-])c1 ZINC000080475237 508076411 /nfs/dbraw/zinc/07/64/11/508076411.db2.gz PGKOZGDEGMGPLG-UHFFFAOYSA-N 1 0 365.430 2.620 20 5 FFBDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000092517573 508077435 /nfs/dbraw/zinc/07/74/35/508077435.db2.gz CJVQDAHBYFBAOA-UHFFFAOYSA-N 1 0 358.398 2.962 20 5 FFBDRO C[N@@H+](Cc1ccccc1-c1ccccc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075681659 508128335 /nfs/dbraw/zinc/12/83/35/508128335.db2.gz ZWTXBPHRKJKQNE-IBGZPJMESA-N 1 0 366.421 2.951 20 5 FFBDRO CN1CC[C@@H]([NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1c1ccc(F)cc1 ZINC000377654659 512380042 /nfs/dbraw/zinc/38/00/42/512380042.db2.gz RMBZFZYEHPOJDX-VQIMIIECSA-N 1 0 372.400 2.707 20 5 FFBDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000081128601 508140989 /nfs/dbraw/zinc/14/09/89/508140989.db2.gz AHDARXLHQWNPLE-QGZVFWFLSA-N 1 0 369.421 2.707 20 5 FFBDRO COCCOC[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000075953886 508146050 /nfs/dbraw/zinc/14/60/50/508146050.db2.gz AFUIPZWOOPQXQM-HNNXBMFYSA-N 1 0 352.431 2.867 20 5 FFBDRO COCCOc1cccc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000093534296 508148539 /nfs/dbraw/zinc/14/85/39/508148539.db2.gz FTSKKCMREXCWEH-MRXNPFEDSA-N 1 0 372.425 2.701 20 5 FFBDRO C[NH+](C)CCc1ccc(NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)cc1 ZINC000076158264 508165284 /nfs/dbraw/zinc/16/52/84/508165284.db2.gz OEEVPAGAHDRZKG-UHFFFAOYSA-N 1 0 361.373 2.856 20 5 FFBDRO C[C@@H]1C[NH+](CCCCNC(=O)/C=C/c2ccccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000083043595 508234802 /nfs/dbraw/zinc/23/48/02/508234802.db2.gz MKCLJIMBECHRSI-UETGSQEOSA-N 1 0 361.442 2.614 20 5 FFBDRO Cc1ccc(S(=O)(=O)NCCCC[NH+]2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000101572155 508247655 /nfs/dbraw/zinc/24/76/55/508247655.db2.gz VPLXJLPSQMNVHU-UHFFFAOYSA-N 1 0 369.487 2.694 20 5 FFBDRO Cc1nc2n(n1)C[C@H]([NH2+]Cc1csc(-c3cccc([N+](=O)[O-])c3)n1)CC2 ZINC000113333677 508261828 /nfs/dbraw/zinc/26/18/28/508261828.db2.gz UCLVDHDZPHFEID-CYBMUJFWSA-N 1 0 370.438 2.723 20 5 FFBDRO C[NH+](C)CCN(Cc1cccs1)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000084381361 508276283 /nfs/dbraw/zinc/27/62/83/508276283.db2.gz BZQIWZLSJPCTIY-UHFFFAOYSA-N 1 0 362.455 2.659 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000114645218 508333772 /nfs/dbraw/zinc/33/37/72/508333772.db2.gz KWOFQEDWDDXJOW-KRWDZBQOSA-N 1 0 369.421 2.998 20 5 FFBDRO CCOC(=O)c1ccnc(NC[C@H](c2cccs2)[NH+](C)C)c1[N+](=O)[O-] ZINC000077903476 508390254 /nfs/dbraw/zinc/39/02/54/508390254.db2.gz PEBREXPLFLAMFY-GFCCVEGCSA-N 1 0 364.427 2.943 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000106364027 508399889 /nfs/dbraw/zinc/39/98/89/508399889.db2.gz ONQSLEDANFTMEN-YPMHNXCESA-N 1 0 355.822 2.568 20 5 FFBDRO C[NH+](C)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000121809541 508423633 /nfs/dbraw/zinc/42/36/33/508423633.db2.gz CVWCCPXZTUKMRB-UHFFFAOYSA-N 1 0 356.220 2.524 20 5 FFBDRO CCCc1n[nH]c(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000156620899 508451335 /nfs/dbraw/zinc/45/13/35/508451335.db2.gz CDVJBGKBCXQYCM-BBRMVZONSA-N 1 0 371.441 2.521 20 5 FFBDRO Cc1ccc(S(=O)(=O)NCC[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000152490543 508456773 /nfs/dbraw/zinc/45/67/73/508456773.db2.gz FLEDNLYJKVGPNT-GFCCVEGCSA-N 1 0 369.468 2.594 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000116420546 508511507 /nfs/dbraw/zinc/51/15/07/508511507.db2.gz YWFVNTWDKGMILI-INIZCTEOSA-N 1 0 366.462 2.769 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157194176 508535972 /nfs/dbraw/zinc/53/59/72/508535972.db2.gz RUZUIGICZZSDOW-INIZCTEOSA-N 1 0 360.458 2.792 20 5 FFBDRO CCC[C@H](NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000128085553 508544587 /nfs/dbraw/zinc/54/45/87/508544587.db2.gz QFLZIPXNGUPZHW-WMZOPIPTSA-N 1 0 362.474 2.613 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000157317366 508552058 /nfs/dbraw/zinc/55/20/58/508552058.db2.gz QRVVZZFHMIYWOK-MRXNPFEDSA-N 1 0 360.458 2.792 20 5 FFBDRO C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000153332336 508572871 /nfs/dbraw/zinc/57/28/71/508572871.db2.gz ZZXDVJABUHCJIV-UHFFFAOYSA-N 1 0 371.437 2.823 20 5 FFBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000117336572 508593778 /nfs/dbraw/zinc/59/37/78/508593778.db2.gz XIWMMXWTHROFSC-GOEBONIOSA-N 1 0 361.398 2.536 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000123021217 508623400 /nfs/dbraw/zinc/62/34/00/508623400.db2.gz QOJDKOIZSXVYJT-ZDUSSCGKSA-N 1 0 350.419 2.847 20 5 FFBDRO O=C(Nc1ccccc1C[NH+]1CCC(O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000135615723 508632656 /nfs/dbraw/zinc/63/26/56/508632656.db2.gz UBSLRTGMCPIOEX-UHFFFAOYSA-N 1 0 355.394 2.804 20 5 FFBDRO CC[NH+](CC)C[C@@H]1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000128749514 508638495 /nfs/dbraw/zinc/63/84/95/508638495.db2.gz GPUXIKCCDARUQW-AWEZNQCLSA-N 1 0 366.437 2.726 20 5 FFBDRO CC[NH+](CC)C[C@H]1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000128749749 508638576 /nfs/dbraw/zinc/63/85/76/508638576.db2.gz GPUXIKCCDARUQW-CQSZACIVSA-N 1 0 366.437 2.726 20 5 FFBDRO CC(C)C[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000128756282 508639361 /nfs/dbraw/zinc/63/93/61/508639361.db2.gz PMGIDZHESMIIEN-UHFFFAOYSA-N 1 0 356.426 2.993 20 5 FFBDRO CO[C@@H]1CC[C@@H]2OCC[N@H+](CCCOc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000157978200 508640806 /nfs/dbraw/zinc/64/08/06/508640806.db2.gz AOLZDXUJGLRTSH-KURKYZTESA-N 1 0 350.415 2.632 20 5 FFBDRO COC[C@H](O)CC[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000153759703 508643279 /nfs/dbraw/zinc/64/32/79/508643279.db2.gz KTYBEYKJPGVPGT-QGZVFWFLSA-N 1 0 359.426 2.850 20 5 FFBDRO C[C@H]1C[C@@H](N(C)CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000123199625 508650996 /nfs/dbraw/zinc/65/09/96/508650996.db2.gz UHUBGROLADNFKN-AAEUAGOBSA-N 1 0 354.838 2.601 20 5 FFBDRO Cc1c(C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000123242126 508657002 /nfs/dbraw/zinc/65/70/02/508657002.db2.gz CHVSMVMLXTVHKX-MFKMUULPSA-N 1 0 364.402 2.675 20 5 FFBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2[nH]ncc2[N+](=O)[O-])cc1 ZINC000136007963 508665079 /nfs/dbraw/zinc/66/50/79/508665079.db2.gz RKBPKETVTAQYGJ-CYBMUJFWSA-N 1 0 357.414 2.622 20 5 FFBDRO O=[N+]([O-])c1cc(CN2CCC[C@@H](C[NH+]3CCOCC3)C2)ccc1Cl ZINC000153908557 508674358 /nfs/dbraw/zinc/67/43/58/508674358.db2.gz ICRICMLZWUMDDX-HNNXBMFYSA-N 1 0 353.850 2.792 20 5 FFBDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)c3[nH]ncc3[N+](=O)[O-])cc2)C1 ZINC000136245252 508681461 /nfs/dbraw/zinc/68/14/61/508681461.db2.gz NEPSVVIANQUMRX-KBPBESRZSA-N 1 0 371.441 2.726 20 5 FFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](Cc2nccn2C)C1 ZINC000123849103 508747656 /nfs/dbraw/zinc/74/76/56/508747656.db2.gz BQPBFFUWVFHFRU-HUUCEWRRSA-N 1 0 371.441 2.610 20 5 FFBDRO C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000119533078 508813952 /nfs/dbraw/zinc/81/39/52/508813952.db2.gz ZOSIHJPEXJGQDK-MRXNPFEDSA-N 1 0 368.437 2.535 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)CCOCc1ccccc1 ZINC000154640662 508824458 /nfs/dbraw/zinc/82/44/58/508824458.db2.gz GRHCLIOXIIYCNS-UHFFFAOYSA-N 1 0 357.410 2.990 20 5 FFBDRO C[NH+](C)[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1F)c1cccc(F)c1 ZINC000124576668 508853990 /nfs/dbraw/zinc/85/39/90/508853990.db2.gz HFMCSUSCKHUEED-KRWDZBQOSA-N 1 0 363.364 2.835 20 5 FFBDRO CN(C)c1cccc(C[N@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000159807634 508893607 /nfs/dbraw/zinc/89/36/07/508893607.db2.gz NZPIPUZTBNMKGB-SFHVURJKSA-N 1 0 359.426 2.533 20 5 FFBDRO O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CC[NH+](C2CCCCC2)CC1 ZINC000155014174 508904376 /nfs/dbraw/zinc/90/43/76/508904376.db2.gz WDZUNYNUSHGSKH-UHFFFAOYSA-N 1 0 362.386 2.594 20 5 FFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000120079609 508924127 /nfs/dbraw/zinc/92/41/27/508924127.db2.gz ZGWNKOIOHPAFKS-UGSOOPFHSA-N 1 0 354.410 2.549 20 5 FFBDRO CN(c1ccccc1)c1ccc(CNC[C@@](C)(O)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000131456616 508933943 /nfs/dbraw/zinc/93/39/43/508933943.db2.gz QSXCCDAUCIDPIV-HXUWFJFHSA-N 1 0 372.469 2.765 20 5 FFBDRO C[C@H](CNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)C[NH+]1CCCCC1 ZINC000125276492 508959075 /nfs/dbraw/zinc/95/90/75/508959075.db2.gz LEMYOQOQNHSCQK-OAHLLOKOSA-N 1 0 360.458 2.785 20 5 FFBDRO CC(C)[NH+](CCCNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)C(C)C ZINC000155295439 508969812 /nfs/dbraw/zinc/96/98/12/508969812.db2.gz UHPNPEREKVXUBM-UHFFFAOYSA-N 1 0 357.476 2.523 20 5 FFBDRO Cc1csc(Sc2ccc(C(=O)NCC[NH+](C)C)cc2[N+](=O)[O-])n1 ZINC000120311090 508970030 /nfs/dbraw/zinc/97/00/30/508970030.db2.gz GPSDCNXLGKXOSB-UHFFFAOYSA-N 1 0 366.468 2.802 20 5 FFBDRO Cc1c([C@H](C)[NH2+]Cc2cccnc2N2CCOCC2)cccc1[N+](=O)[O-] ZINC000151248707 508986487 /nfs/dbraw/zinc/98/64/87/508986487.db2.gz QEWJIZWNGCUQSJ-HNNXBMFYSA-N 1 0 356.426 2.986 20 5 FFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC[C@H]1[C@H]1CNC(=O)C1 ZINC000125541951 508996874 /nfs/dbraw/zinc/99/68/74/508996874.db2.gz GURUJLDDOZSQFH-PBHICJAKSA-N 1 0 361.442 2.873 20 5 FFBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000120509259 509011003 /nfs/dbraw/zinc/01/10/03/509011003.db2.gz CKUCIAZYQPYRRM-WBVHZDCISA-N 1 0 374.485 2.610 20 5 FFBDRO C[NH+](C)CCCC1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000132346755 509018312 /nfs/dbraw/zinc/01/83/12/509018312.db2.gz IPMZOGOUMDNGCT-UHFFFAOYSA-N 1 0 352.410 2.510 20 5 FFBDRO [NH3+][C@@H]1CCC[C@H](NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000160895883 509045218 /nfs/dbraw/zinc/04/52/18/509045218.db2.gz SOCYMTIFSJHWRT-NEPJUHHUSA-N 1 0 374.363 2.802 20 5 FFBDRO COc1ccc(NC(=O)CC[N@H+](C)CCC2CCOCC2)c([N+](=O)[O-])c1 ZINC000120695839 509046995 /nfs/dbraw/zinc/04/69/95/509046995.db2.gz KWVDYVRWMAXNCJ-UHFFFAOYSA-N 1 0 365.430 2.681 20 5 FFBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)Cc3ccc([N+](=O)[O-])cc3Cl)CC[C@@H]21 ZINC000155842562 509080308 /nfs/dbraw/zinc/08/03/08/509080308.db2.gz GJEJBNOHHNBZGN-CJNGLKHVSA-N 1 0 351.834 2.733 20 5 FFBDRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000126632045 509105601 /nfs/dbraw/zinc/10/56/01/509105601.db2.gz DRWAYFHHQVYJKK-HNNXBMFYSA-N 1 0 369.381 2.631 20 5 FFBDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000161761834 509150611 /nfs/dbraw/zinc/15/06/11/509150611.db2.gz VOJGOQONAMOBCZ-ZJUUUORDSA-N 1 0 361.320 2.536 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)nc2)n1 ZINC000121385232 509171186 /nfs/dbraw/zinc/17/11/86/509171186.db2.gz WPCSMMNOXKNOAT-OKILXGFUSA-N 1 0 357.414 2.919 20 5 FFBDRO Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2ncc[nH]2)c([N+](=O)[O-])c1 ZINC000121428894 509173190 /nfs/dbraw/zinc/17/31/90/509173190.db2.gz YKFBDXUMAAPXFL-GFCCVEGCSA-N 1 0 350.400 2.542 20 5 FFBDRO CNC(=O)c1ccc(N(CC[NH+](C)C)Cc2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000162153789 509174352 /nfs/dbraw/zinc/17/43/52/509174352.db2.gz RXTXMCJYAKFLOO-UHFFFAOYSA-N 1 0 374.416 2.662 20 5 FFBDRO C[C@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000162246675 509181981 /nfs/dbraw/zinc/18/19/81/509181981.db2.gz FOVLPNUEJMIFFE-LLVKDONJSA-N 1 0 370.247 2.819 20 5 FFBDRO CC[NH+]1CCN(Cc2ccccc2CNc2ncc([N+](=O)[O-])s2)CC1 ZINC000195508668 509202380 /nfs/dbraw/zinc/20/23/80/509202380.db2.gz IWJRQPKSKPYCJN-UHFFFAOYSA-N 1 0 361.471 2.801 20 5 FFBDRO COc1ccc(OCC[NH+]2CCC(O)(c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000185494450 509204665 /nfs/dbraw/zinc/20/46/65/509204665.db2.gz CSPUYJPSZXKNEQ-UHFFFAOYSA-N 1 0 372.421 2.966 20 5 FFBDRO O=C(NCc1ccc2c(c1)C[NH2+]C2)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000188724240 509231455 /nfs/dbraw/zinc/23/14/55/509231455.db2.gz LVGKXETUPJBQQU-UHFFFAOYSA-N 1 0 366.421 2.728 20 5 FFBDRO COc1ccc(C[NH2+]C[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000179056735 509242718 /nfs/dbraw/zinc/24/27/18/509242718.db2.gz PDVVJSGVLBVMNJ-KRWDZBQOSA-N 1 0 369.421 2.742 20 5 FFBDRO COc1cccc(CN(CC[NH+](C)C)C(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000191948939 509258335 /nfs/dbraw/zinc/25/83/35/509258335.db2.gz UFLMORMVMMZVAP-UHFFFAOYSA-N 1 0 357.410 2.807 20 5 FFBDRO CCC[NH+](CCC)CCCNC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000263977180 509260259 /nfs/dbraw/zinc/26/02/59/509260259.db2.gz ZXSBGCSZKUYIQP-UHFFFAOYSA-N 1 0 367.446 2.854 20 5 FFBDRO COc1ccc([C@H]2CC[N@H+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])C2)cc1 ZINC000248444400 509323625 /nfs/dbraw/zinc/32/36/25/509323625.db2.gz FXGFONYBAOFZBN-DLBZAZTESA-N 1 0 372.421 2.833 20 5 FFBDRO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248463598 509333522 /nfs/dbraw/zinc/33/35/22/509333522.db2.gz QRMLLJIYZBAMSG-ZBFHGGJFSA-N 1 0 360.414 2.512 20 5 FFBDRO C[C@@H](CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000182620505 509336633 /nfs/dbraw/zinc/33/66/33/509336633.db2.gz XTLCNVATAJGISJ-JTQLQIEISA-N 1 0 357.863 2.939 20 5 FFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[NH+](C2CCOCC2)CC1 ZINC000267117101 509352560 /nfs/dbraw/zinc/35/25/60/509352560.db2.gz ZVZCVGYNDOWVGH-UHFFFAOYSA-N 1 0 359.348 2.915 20 5 FFBDRO CC1CC[NH+]([C@@H](CNC(=O)c2c([N+](=O)[O-])cnn2C)c2ccccc2)CC1 ZINC000163420004 509374712 /nfs/dbraw/zinc/37/47/12/509374712.db2.gz WADHSLWKEYZMKY-INIZCTEOSA-N 1 0 371.441 2.531 20 5 FFBDRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)C[C@H]12 ZINC000248588129 509380024 /nfs/dbraw/zinc/38/00/24/509380024.db2.gz GORPAWQCCMDIPB-FPMFFAJLSA-N 1 0 358.423 2.528 20 5 FFBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000227836733 509414528 /nfs/dbraw/zinc/41/45/28/509414528.db2.gz QLNPDCZVFROJDF-CABCVRRESA-N 1 0 371.441 2.631 20 5 FFBDRO CCOc1ccc([C@H](C)[NH2+]CCN2CCOC(C)(C)C2)cc1[N+](=O)[O-] ZINC000179420358 509435414 /nfs/dbraw/zinc/43/54/14/509435414.db2.gz PNVDOJIVEALWDQ-AWEZNQCLSA-N 1 0 351.447 2.755 20 5 FFBDRO COc1cccc(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000248759280 509473533 /nfs/dbraw/zinc/47/35/33/509473533.db2.gz JFQHYUSZLNYSCH-DOTOQJQBSA-N 1 0 355.394 2.779 20 5 FFBDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000236836362 509514607 /nfs/dbraw/zinc/51/46/07/509514607.db2.gz VUMVPDPCWWCYJO-DGCLKSJQSA-N 1 0 357.838 2.847 20 5 FFBDRO C[NH+](C)C1(CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])CCCC1 ZINC000267504983 509520262 /nfs/dbraw/zinc/52/02/62/509520262.db2.gz VYECVWAFWDSODT-UHFFFAOYSA-N 1 0 370.247 2.962 20 5 FFBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000248924788 509545783 /nfs/dbraw/zinc/54/57/83/509545783.db2.gz XAMSTMIWLQBZBL-HNAYVOBHSA-N 1 0 353.422 2.774 20 5 FFBDRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000173378192 509561136 /nfs/dbraw/zinc/56/11/36/509561136.db2.gz MRTZMXPHVGWLRX-OLZOCXBDSA-N 1 0 363.439 2.915 20 5 FFBDRO CCS[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000189508736 509610813 /nfs/dbraw/zinc/61/08/13/509610813.db2.gz QQIIHCDXQPDKOA-USXIJHARSA-N 1 0 354.472 2.988 20 5 FFBDRO C[C@H](C[NH+]1CCCCCC1)NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000186323352 509647394 /nfs/dbraw/zinc/64/73/94/509647394.db2.gz FQWBAJWXQJVXLA-CQSZACIVSA-N 1 0 358.442 2.999 20 5 FFBDRO C[C@H](Nc1ccc(C(=O)N2CC[NH2+]C[C@H]2C)cc1[N+](=O)[O-])c1ccccn1 ZINC000237455694 509651780 /nfs/dbraw/zinc/65/17/80/509651780.db2.gz JSTVOIQKDLYTAY-KGLIPLIRSA-N 1 0 369.425 2.597 20 5 FFBDRO CC[N@@H+]1CC[C@@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 ZINC000267928962 509675284 /nfs/dbraw/zinc/67/52/84/509675284.db2.gz NJHRZVMMTWUYLT-VIFPVBQESA-N 1 0 374.210 2.568 20 5 FFBDRO CC[N@@H+]1CC[C@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 ZINC000267928960 509676009 /nfs/dbraw/zinc/67/60/09/509676009.db2.gz NJHRZVMMTWUYLT-SECBINFHSA-N 1 0 374.210 2.568 20 5 FFBDRO C[C@H]1CC[C@@](CO)([N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000189657720 509687107 /nfs/dbraw/zinc/68/71/07/509687107.db2.gz ABYNXKHOKKJAJM-YVEFUNNKSA-N 1 0 353.394 2.545 20 5 FFBDRO C[C@H]1CN(Cc2ccccc2)CCN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000176798620 509696456 /nfs/dbraw/zinc/69/64/56/509696456.db2.gz KPKNCKCWVOJAES-AWEZNQCLSA-N 1 0 354.410 2.524 20 5 FFBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCC[C@@H](C[NH3+])C3)cc2[N+](=O)[O-])C1 ZINC000237691217 509711749 /nfs/dbraw/zinc/71/17/49/509711749.db2.gz GTQQACXGEXVSOP-XHSDSOJGSA-N 1 0 374.485 2.888 20 5 FFBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCC[C@@H]3C[NH3+])cc2[N+](=O)[O-])C1 ZINC000237691275 509712277 /nfs/dbraw/zinc/71/22/77/509712277.db2.gz OVXCTDRRGQIKMQ-IJEWVQPXSA-N 1 0 360.458 2.640 20 5 FFBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCC[NH2+]CC3)cc2[N+](=O)[O-])C1 ZINC000237691098 509712590 /nfs/dbraw/zinc/71/25/90/509712590.db2.gz IRMDAXYZSILWNU-GASCZTMLSA-N 1 0 360.458 2.513 20 5 FFBDRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237900119 509768039 /nfs/dbraw/zinc/76/80/39/509768039.db2.gz YIILSMIXWOJCBF-JSGCOSHPSA-N 1 0 360.439 2.966 20 5 FFBDRO CC[NH+](CC)CCOc1ccc(NC(=O)c2cc([N+](=O)[O-])cnc2N)cc1 ZINC000183413090 509774223 /nfs/dbraw/zinc/77/42/23/509774223.db2.gz HSZCWFVRISLTJJ-UHFFFAOYSA-N 1 0 373.413 2.545 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N(C)CC[N@H+](C)C3CC3)cc2[N+](=O)[O-])CC1 ZINC000186708563 509864832 /nfs/dbraw/zinc/86/48/32/509864832.db2.gz VYNIYVXSWXCGDF-UHFFFAOYSA-N 1 0 374.485 2.997 20 5 FFBDRO CCOC(=O)C[C@](C)([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C)C(C)C ZINC000186720630 509872293 /nfs/dbraw/zinc/87/22/93/509872293.db2.gz CZDUHBJAKBUMNL-SFHVURJKSA-N 1 0 365.430 2.799 20 5 FFBDRO COc1ccc(OC)c(NC(=O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000180417343 509914411 /nfs/dbraw/zinc/91/44/11/509914411.db2.gz HLDFCICOCAZPMN-LBPRGKRZSA-N 1 0 359.382 2.901 20 5 FFBDRO CCc1oc(C(=O)OC)cc1C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000177199433 509932185 /nfs/dbraw/zinc/93/21/85/509932185.db2.gz AVGQKVZBKUJJJH-CYBMUJFWSA-N 1 0 374.397 2.618 20 5 FFBDRO C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(Cl)c1Cl ZINC000183767481 509965027 /nfs/dbraw/zinc/96/50/27/509965027.db2.gz GTXNSMWACDWNQP-ONGXEEELSA-N 1 0 359.213 2.810 20 5 FFBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 ZINC000174165950 509980293 /nfs/dbraw/zinc/98/02/93/509980293.db2.gz RSHCGCLEKRYYBY-MRXNPFEDSA-N 1 0 360.458 2.751 20 5 FFBDRO Cc1nnc([C@@H]2CCC[N@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)[nH]1 ZINC000268528034 509990768 /nfs/dbraw/zinc/99/07/68/509990768.db2.gz YDIQDDGROWGDSB-CQSZACIVSA-N 1 0 372.429 2.538 20 5 FFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)CC1([NH+](C)C)CCC1 ZINC000187001738 509998982 /nfs/dbraw/zinc/99/89/82/509998982.db2.gz DYGRPOYRIPBTLN-GFCCVEGCSA-N 1 0 368.865 2.991 20 5 FFBDRO Cc1c(C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000265361957 510013760 /nfs/dbraw/zinc/01/37/60/510013760.db2.gz ZWVONHXTWHOIRS-ZDUSSCGKSA-N 1 0 364.402 2.534 20 5 FFBDRO Cc1ccccc1[C@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)[C@@H](C)CO1 ZINC000245573598 510017001 /nfs/dbraw/zinc/01/70/01/510017001.db2.gz DCPFRJJICGVOQC-MAUKXSAKSA-N 1 0 357.410 2.527 20 5 FFBDRO CC(C)n1cnnc1[C@@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000180629868 510023820 /nfs/dbraw/zinc/02/38/20/510023820.db2.gz YFJXPMXVGQSYPC-WBVHZDCISA-N 1 0 359.430 2.680 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000193723374 510036094 /nfs/dbraw/zinc/03/60/94/510036094.db2.gz QVWFQQUIBIJMAR-UONOGXRCSA-N 1 0 364.446 2.523 20 5 FFBDRO O=C(CCOc1ccccc1[N+](=O)[O-])NC1CC[NH+](C2CCCC2)CC1 ZINC000177427988 510052083 /nfs/dbraw/zinc/05/20/83/510052083.db2.gz PUVWJILQABVDIR-UHFFFAOYSA-N 1 0 361.442 2.887 20 5 FFBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000177447007 510062796 /nfs/dbraw/zinc/06/27/96/510062796.db2.gz RCTAPYXBJFDTFB-UHFFFAOYSA-N 1 0 360.458 2.798 20 5 FFBDRO COc1cc(CN2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000261835811 510084392 /nfs/dbraw/zinc/08/43/92/510084392.db2.gz ZGMPPHVRLCJOPR-JKSUJKDBSA-N 1 0 357.410 2.539 20 5 FFBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)C1(c2ccccc2)CC[NH2+]CC1 ZINC000193880178 510112433 /nfs/dbraw/zinc/11/24/33/510112433.db2.gz IPWMMWFLFVMCRX-UHFFFAOYSA-N 1 0 353.422 2.575 20 5 FFBDRO O=C(CC[C@@H]1CC[NH2+]C1)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000261935402 510121929 /nfs/dbraw/zinc/12/19/29/510121929.db2.gz ZJHMORPEVUJOHN-LLVKDONJSA-N 1 0 374.363 2.531 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2noc(CN3CCC(C[NH+]4CCCC4)CC3)n2)cc1 ZINC000171386682 510123519 /nfs/dbraw/zinc/12/35/19/510123519.db2.gz TWAHJGUWRDFZTB-UHFFFAOYSA-N 1 0 371.441 2.953 20 5 FFBDRO COc1ccccc1[C@@H]1CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000265631346 510146741 /nfs/dbraw/zinc/14/67/41/510146741.db2.gz DTFQBMSTOLGKIX-NVXWUHKLSA-N 1 0 372.421 2.833 20 5 FFBDRO O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000171447130 510164535 /nfs/dbraw/zinc/16/45/35/510164535.db2.gz MYUHKASQSBBSRP-QGZVFWFLSA-N 1 0 372.469 2.895 20 5 FFBDRO C[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(-c2ccncc2)cc1 ZINC000180931375 510189722 /nfs/dbraw/zinc/18/97/22/510189722.db2.gz MWLUGXPJWGEDMK-AUUYWEPGSA-N 1 0 367.409 2.565 20 5 FFBDRO CN(CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)Cc1ccc(Cl)nc1 ZINC000174583946 510192193 /nfs/dbraw/zinc/19/21/93/510192193.db2.gz TZYFOODRCOZVIB-UHFFFAOYSA-N 1 0 360.801 2.664 20 5 FFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000177780667 510248709 /nfs/dbraw/zinc/24/87/09/510248709.db2.gz COBBKUKUAIGFMY-HIFRSBDPSA-N 1 0 351.834 2.876 20 5 FFBDRO CC(C)(C)[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(F)c1 ZINC000181073960 510268248 /nfs/dbraw/zinc/26/82/48/510268248.db2.gz XHDIPAINRPSTAC-JKSUJKDBSA-N 1 0 350.394 2.668 20 5 FFBDRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000184336318 510269050 /nfs/dbraw/zinc/26/90/50/510269050.db2.gz YNOHHYNIIOMVPL-UHFFFAOYSA-N 1 0 360.389 2.520 20 5 FFBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000184341600 510273752 /nfs/dbraw/zinc/27/37/52/510273752.db2.gz YNAPVQGWELYPER-ZDUSSCGKSA-N 1 0 374.466 2.881 20 5 FFBDRO CC(C)C[C@H](C[NH3+])NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000269195608 510284385 /nfs/dbraw/zinc/28/43/85/510284385.db2.gz ISDVMCZKRDZMEE-SECBINFHSA-N 1 0 362.199 2.600 20 5 FFBDRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000269196435 510285624 /nfs/dbraw/zinc/28/56/24/510285624.db2.gz VGKYMIOJNIUDLL-LDYMZIIASA-N 1 0 374.210 2.838 20 5 FFBDRO CC(C)[C@@H]([NH3+])CNC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000269251153 510310108 /nfs/dbraw/zinc/31/01/08/510310108.db2.gz GFVDHLPZDOVUCB-ZFWWWQNUSA-N 1 0 371.441 2.876 20 5 FFBDRO C[C@@H](Nc1ccc(C(=O)NCC[C@H](C)[NH3+])cc1[N+](=O)[O-])c1ccccn1 ZINC000262534013 510310555 /nfs/dbraw/zinc/31/05/55/510310555.db2.gz LNCCWFKYYIHGEE-QWHCGFSZSA-N 1 0 357.414 2.630 20 5 FFBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NCC[C@@H]3CC[NH2+]C3)cc2[N+](=O)[O-])C1 ZINC000262580785 510324114 /nfs/dbraw/zinc/32/41/14/510324114.db2.gz OMXKPTJAUMGPGX-OAGGEKHMSA-N 1 0 374.485 2.807 20 5 FFBDRO C[NH+](C)C[C@H]1CCCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000269291346 510327684 /nfs/dbraw/zinc/32/76/84/510327684.db2.gz FHSACROTDNASJB-GFCCVEGCSA-N 1 0 356.220 2.524 20 5 FFBDRO CC[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1nc(C)cs1 ZINC000184443648 510328433 /nfs/dbraw/zinc/32/84/33/510328433.db2.gz GTKJGQVESGUISP-OLZOCXBDSA-N 1 0 351.428 2.840 20 5 FFBDRO COc1ccc(CSCC(=O)N(C)CC[C@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000262593162 510329242 /nfs/dbraw/zinc/32/92/42/510329242.db2.gz VPLNEVODEYMAEM-AWEZNQCLSA-N 1 0 369.487 2.668 20 5 FFBDRO COc1cc(C(=O)NCc2ccccc2C[NH+](C)C)cc([N+](=O)[O-])c1OC ZINC000266053299 510381290 /nfs/dbraw/zinc/38/12/90/510381290.db2.gz GXFDRHKGCZZKEE-UHFFFAOYSA-N 1 0 373.409 2.604 20 5 FFBDRO CCc1n[nH]c(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000171806365 510382060 /nfs/dbraw/zinc/38/20/60/510382060.db2.gz FLEUFKRODVZSTM-INIZCTEOSA-N 1 0 371.441 2.756 20 5 FFBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CC[NH2+][C@H](C)[C@H]3C)cc2[N+](=O)[O-])C1 ZINC000262743768 510393746 /nfs/dbraw/zinc/39/37/46/510393746.db2.gz FIBCMFOBMCYIRF-QKPAOTATSA-N 1 0 374.485 2.900 20 5 FFBDRO CCC[NH+](CCC)CCCNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000181488437 510435513 /nfs/dbraw/zinc/43/55/13/510435513.db2.gz ANQOETOYBIBZLN-UHFFFAOYSA-N 1 0 351.403 2.565 20 5 FFBDRO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000171920527 510452145 /nfs/dbraw/zinc/45/21/45/510452145.db2.gz GQMOIIADDAALNZ-CQSZACIVSA-N 1 0 359.348 2.968 20 5 FFBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000266196591 510457178 /nfs/dbraw/zinc/45/71/78/510457178.db2.gz GIXSOJMJWJYBHC-INIZCTEOSA-N 1 0 370.453 2.884 20 5 FFBDRO CCOC1CC(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)(N2CCOCC2)C1 ZINC000194647379 510464948 /nfs/dbraw/zinc/46/49/48/510464948.db2.gz NGHFGDMBCVMYHW-VNCLNFNDSA-N 1 0 363.458 2.515 20 5 FFBDRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2cccc(O)c2)c([N+](=O)[O-])c1 ZINC000181546183 510466677 /nfs/dbraw/zinc/46/66/77/510466677.db2.gz LCSHDGXLZCJRLR-NWDGAFQWSA-N 1 0 359.382 2.987 20 5 FFBDRO CC[C@H]([NH2+]CC(=O)NC(=O)Nc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000181559778 510472905 /nfs/dbraw/zinc/47/29/05/510472905.db2.gz SIMPPGRZAAICQI-INIZCTEOSA-N 1 0 356.382 2.984 20 5 FFBDRO O=C1OCCN1c1cc([N+](=O)[O-])ccc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000266311570 510510034 /nfs/dbraw/zinc/51/00/34/510510034.db2.gz DNVNNZCFEQSOGB-HNNXBMFYSA-N 1 0 360.414 2.616 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)[C@@H](C)C1 ZINC000246494931 510521385 /nfs/dbraw/zinc/52/13/85/510521385.db2.gz XMICXBFCERNSMY-XJKSGUPXSA-N 1 0 369.487 2.562 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1CCC(OC2CCCC2)CC1 ZINC000181648862 510521869 /nfs/dbraw/zinc/52/18/69/510521869.db2.gz IOIZQQGVWOHTHP-OAHLLOKOSA-N 1 0 364.442 2.758 20 5 FFBDRO O=C(CCN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000246503807 510525332 /nfs/dbraw/zinc/52/53/32/510525332.db2.gz HWCVXQRWTPCDGW-KXBFYZLASA-N 1 0 372.469 2.872 20 5 FFBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](Cc2nccn2C)C1 ZINC000246571794 510562591 /nfs/dbraw/zinc/56/25/91/510562591.db2.gz BQPBFFUWVFHFRU-GJZGRUSLSA-N 1 0 371.441 2.610 20 5 FFBDRO CCc1n[nH]c(C(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000175384470 510620191 /nfs/dbraw/zinc/62/01/91/510620191.db2.gz GBQXMASUQZCCLL-CYBMUJFWSA-N 1 0 359.430 2.521 20 5 FFBDRO Cc1c(Br)cc(C(=O)NCCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000269989124 510631351 /nfs/dbraw/zinc/63/13/51/510631351.db2.gz SHNSYIHGFZRXPI-UHFFFAOYSA-N 1 0 358.236 2.737 20 5 FFBDRO CC1(C)CN(C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000175433247 510645007 /nfs/dbraw/zinc/64/50/07/510645007.db2.gz RFMZNUQQLOLMGK-UHFFFAOYSA-N 1 0 374.363 2.626 20 5 FFBDRO CN(C(=O)c1cc([N+](=O)[O-])ccc1N)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000188212504 510651476 /nfs/dbraw/zinc/65/14/76/510651476.db2.gz YKUFYTGHFCDMSL-QGZVFWFLSA-N 1 0 368.437 2.914 20 5 FFBDRO Cc1csc(Sc2ccc(C(=O)NCC[C@@H](C)[NH3+])cc2[N+](=O)[O-])n1 ZINC000178650562 510704468 /nfs/dbraw/zinc/70/44/68/510704468.db2.gz MAEWRYQFDQXCFO-SECBINFHSA-N 1 0 366.468 2.978 20 5 FFBDRO NC(=O)C[C@H]([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CCCCC1 ZINC000182013507 510708574 /nfs/dbraw/zinc/70/85/74/510708574.db2.gz HIQNTZAWZWGUON-HNNXBMFYSA-N 1 0 373.413 2.559 20 5 FFBDRO C[NH+]1CCC([C@H]2CCN(C(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)C2)CC1 ZINC000270229507 510726589 /nfs/dbraw/zinc/72/65/89/510726589.db2.gz NUNWQNZMYBTAIL-AWEZNQCLSA-N 1 0 356.426 2.880 20 5 FFBDRO CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)n1 ZINC000191572539 510732036 /nfs/dbraw/zinc/73/20/36/510732036.db2.gz FIWMMZNXUOOKLP-UHFFFAOYSA-N 1 0 357.414 2.702 20 5 FFBDRO C[NH+]1CCC([C@H]2CCN(c3ncc([N+](=O)[O-])cc3Br)C2)CC1 ZINC000270248865 510734546 /nfs/dbraw/zinc/73/45/46/510734546.db2.gz XYPWTSAYRRYLCR-LBPRGKRZSA-N 1 0 369.263 2.920 20 5 FFBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)n1 ZINC000191618819 510755899 /nfs/dbraw/zinc/75/58/99/510755899.db2.gz NZCZUWSKDUWWEH-AWEZNQCLSA-N 1 0 371.441 2.767 20 5 FFBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NC[C@@H]3CCC[NH2+]3)cc2[N+](=O)[O-])C1 ZINC000178783823 510770848 /nfs/dbraw/zinc/77/08/48/510770848.db2.gz OUBQFBAYEPSUDA-FMKPAKJESA-N 1 0 360.458 2.559 20 5 FFBDRO C[NH+](C)CCN(CCCc1ccccc1)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000175770180 510782400 /nfs/dbraw/zinc/78/24/00/510782400.db2.gz NXAJIPVTFNLKDQ-UHFFFAOYSA-N 1 0 371.437 2.937 20 5 FFBDRO O=[N+]([O-])c1ccccc1OCC[NH2+][C@@H](CN1CCOCC1)c1ccccc1 ZINC000182164458 510790419 /nfs/dbraw/zinc/79/04/19/510790419.db2.gz BVJJINVJBPLUDI-SFHVURJKSA-N 1 0 371.437 2.637 20 5 FFBDRO C[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)c(F)c1 ZINC000182177007 510796332 /nfs/dbraw/zinc/79/63/32/510796332.db2.gz KYRKZHVHNLQGMI-NSHDSACASA-N 1 0 370.377 2.998 20 5 FFBDRO C[C@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1ccc(S(C)(=O)=O)cc1 ZINC000182189469 510804312 /nfs/dbraw/zinc/80/43/12/510804312.db2.gz DWSLHMQXEYVMKO-ZDUSSCGKSA-N 1 0 364.423 2.728 20 5 FFBDRO CC(C)CCOC1CC[NH+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000182213572 510817289 /nfs/dbraw/zinc/81/72/89/510817289.db2.gz JIOPIYOCDUNIEM-INIZCTEOSA-N 1 0 366.458 2.862 20 5 FFBDRO CCOc1ccccc1C[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182216715 510818476 /nfs/dbraw/zinc/81/84/76/510818476.db2.gz QJYGMLPKHCXFOV-INIZCTEOSA-N 1 0 360.410 2.865 20 5 FFBDRO C[C@@H](CCNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)[NH+]1CCCCC1 ZINC000182222615 510821922 /nfs/dbraw/zinc/82/19/22/510821922.db2.gz OFFHZLPLOXXYAC-HNNXBMFYSA-N 1 0 371.441 2.775 20 5 FFBDRO CCC[NH+]1CCN(C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)CC1 ZINC000360466147 510911269 /nfs/dbraw/zinc/91/12/69/510911269.db2.gz JCOVNGSVFLUWJT-UHFFFAOYSA-N 1 0 368.428 2.869 20 5 FFBDRO CSc1ccc([C@@H](CNC(=O)c2c(N)cccc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000294313398 511023696 /nfs/dbraw/zinc/02/36/96/511023696.db2.gz IKGAEEVJJKNQEL-MRXNPFEDSA-N 1 0 374.466 2.932 20 5 FFBDRO COCCc1ccc(OC[C@H](O)C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000294397215 511051159 /nfs/dbraw/zinc/05/11/59/511051159.db2.gz CIDCMGWHYRFSQH-DOTOQJQBSA-N 1 0 374.437 2.874 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000282643552 511057767 /nfs/dbraw/zinc/05/77/67/511057767.db2.gz LLTQQUAQVCJOAT-INIZCTEOSA-N 1 0 369.421 2.998 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)[C@@H](C)C1 ZINC000279388522 511065207 /nfs/dbraw/zinc/06/52/07/511065207.db2.gz IOUVZFKQKOMXMU-SWLSCSKDSA-N 1 0 366.437 2.602 20 5 FFBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000271067863 511073672 /nfs/dbraw/zinc/07/36/72/511073672.db2.gz XLTQYMSQHCNSLY-ZDUSSCGKSA-N 1 0 351.472 2.876 20 5 FFBDRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000271127071 511090881 /nfs/dbraw/zinc/09/08/81/511090881.db2.gz PHTAYJIRZSITNS-AWEZNQCLSA-N 1 0 371.441 2.633 20 5 FFBDRO Cn1cc([C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3F)CC23CCOCC3)cn1 ZINC000294685791 511142842 /nfs/dbraw/zinc/14/28/42/511142842.db2.gz AHBTXIKWMHUNRE-QGZVFWFLSA-N 1 0 374.416 2.864 20 5 FFBDRO CCOC(=O)c1cnn(C2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000294725392 511156137 /nfs/dbraw/zinc/15/61/37/511156137.db2.gz FUXIYTUMGHNJCF-UHFFFAOYSA-N 1 0 358.398 2.805 20 5 FFBDRO COc1cc(C[NH2+][C@H]2C[C@@H](O)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000294756351 511168082 /nfs/dbraw/zinc/16/80/82/511168082.db2.gz DRELAAOOTDNJER-WOVMCDHWSA-N 1 0 358.394 2.795 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])cc1F)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000279760294 511204062 /nfs/dbraw/zinc/20/40/62/511204062.db2.gz VNVJJPKTEMDQHN-IYBDPMFKSA-N 1 0 369.396 2.938 20 5 FFBDRO NC(=O)c1ccc(C[NH+]2CCC(Cc3cccnc3)CC2)c([N+](=O)[O-])c1 ZINC000362636013 511206477 /nfs/dbraw/zinc/20/64/77/511206477.db2.gz BROSIRAYTFOMOY-UHFFFAOYSA-N 1 0 354.410 2.543 20 5 FFBDRO C[C@@H]1Cc2ncn(CCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)c2C[C@@H]1C ZINC000295107261 511283491 /nfs/dbraw/zinc/28/34/91/511283491.db2.gz HDKWOHNPEXESJW-OLZOCXBDSA-N 1 0 363.439 2.636 20 5 FFBDRO COc1cc(C[N@H+](C)[C@H](C)C(C)(C)O)c([N+](=O)[O-])cc1OCC(F)F ZINC000295125903 511291161 /nfs/dbraw/zinc/29/11/61/511291161.db2.gz JHQUXAABRJURKX-SNVBAGLBSA-N 1 0 362.373 2.839 20 5 FFBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@](CO)(c2ccccc2)C1 ZINC000291762544 511327820 /nfs/dbraw/zinc/32/78/20/511327820.db2.gz LGPMXEOESRVMEP-QRWLVFNGSA-N 1 0 369.421 2.558 20 5 FFBDRO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000363099620 511352265 /nfs/dbraw/zinc/35/22/65/511352265.db2.gz WUANTXJMKLOOLW-QWRGUYRKSA-N 1 0 370.356 2.945 20 5 FFBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000363097939 511352878 /nfs/dbraw/zinc/35/28/78/511352878.db2.gz RUKYGYOJSYWCCH-JKSUJKDBSA-N 1 0 358.442 2.552 20 5 FFBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000292058702 511448875 /nfs/dbraw/zinc/44/88/75/511448875.db2.gz BMTHXDYRJZGVAW-CABCVRRESA-N 1 0 360.458 2.728 20 5 FFBDRO C[NH+](C)Cc1ccnc(NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)c1 ZINC000272243202 511477575 /nfs/dbraw/zinc/47/75/75/511477575.db2.gz RJAGGZUWACERHG-UHFFFAOYSA-N 1 0 350.325 2.782 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCC(c3cccc(Cl)c3)CC2)c1 ZINC000280531495 511500901 /nfs/dbraw/zinc/50/09/01/511500901.db2.gz OZUCJIJAFZHKRZ-QGZVFWFLSA-N 1 0 364.833 2.685 20 5 FFBDRO C[C@@H]1C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@]2(CCOC2)O1 ZINC000280623845 511537177 /nfs/dbraw/zinc/53/71/77/511537177.db2.gz WVELQSDHLRNDIV-AUUYWEPGSA-N 1 0 373.409 2.672 20 5 FFBDRO C[C@@H]1CN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC[N@@H+](C2CC2)C1 ZINC000295960828 511569414 /nfs/dbraw/zinc/56/94/14/511569414.db2.gz HUCLNMWWVAOEJP-OAHLLOKOSA-N 1 0 369.469 2.911 20 5 FFBDRO Cc1c(NC(=O)N(C)CC[NH+](C)C)cc(Br)cc1[N+](=O)[O-] ZINC000280813331 511613812 /nfs/dbraw/zinc/61/38/12/511613812.db2.gz SPBUWCIHLQPHAZ-UHFFFAOYSA-N 1 0 359.224 2.691 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@H]1CCCc3c1cnn3CCO)CCC2 ZINC000365715402 511617025 /nfs/dbraw/zinc/61/70/25/511617025.db2.gz NGVBCLICMRVJJK-ROUUACIJSA-N 1 0 356.426 2.828 20 5 FFBDRO Cc1nc([N+](=O)[O-])cn1Cc1nc(-c2cccc(C[NH+]3CCCC3)c2)no1 ZINC000273991009 511682639 /nfs/dbraw/zinc/68/26/39/511682639.db2.gz YPLKRIRERPEVMU-UHFFFAOYSA-N 1 0 368.397 2.794 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H](c2cccc(F)c2)[NH+](C)C)n1 ZINC000281020400 511691444 /nfs/dbraw/zinc/69/14/44/511691444.db2.gz SATYGAIFTZBEDJ-HNNXBMFYSA-N 1 0 362.361 2.630 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H](c2cccc(F)c2)[NH+](C)C)n1 ZINC000281020404 511691720 /nfs/dbraw/zinc/69/17/20/511691720.db2.gz SATYGAIFTZBEDJ-OAHLLOKOSA-N 1 0 362.361 2.630 20 5 FFBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000363690112 511705521 /nfs/dbraw/zinc/70/55/21/511705521.db2.gz HQZONJKXAXGAHB-CZUORRHYSA-N 1 0 357.414 2.876 20 5 FFBDRO O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000363698098 511710214 /nfs/dbraw/zinc/71/02/14/511710214.db2.gz ZXBDPJLEKLMPLZ-QGZVFWFLSA-N 1 0 372.469 2.895 20 5 FFBDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000303477334 511739273 /nfs/dbraw/zinc/73/92/73/511739273.db2.gz PDQIGOWMECIXFC-CQSZACIVSA-N 1 0 369.487 2.774 20 5 FFBDRO C[N@@H+]1CCC[C@@]2(CCN(CC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C2)C1 ZINC000292837254 511740234 /nfs/dbraw/zinc/74/02/34/511740234.db2.gz AXDHAWKTMYPGLZ-QGZVFWFLSA-N 1 0 366.849 2.604 20 5 FFBDRO CC[N@H+](C)[C@@H](C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1ccccc1 ZINC000365969191 511755651 /nfs/dbraw/zinc/75/56/51/511755651.db2.gz OKWKZZLZXPWZAB-GOSISDBHSA-N 1 0 371.441 2.648 20 5 FFBDRO O=C(c1cc(N2CC[C@H](C[NH+]3CCCC3)C2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000293091881 511837667 /nfs/dbraw/zinc/83/76/67/511837667.db2.gz ORAJLRLZHFPIEH-MRXNPFEDSA-N 1 0 372.469 2.753 20 5 FFBDRO C[N@@H+]1CC[C@@H]2OCCN(Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)[C@@H]2C1 ZINC000284734940 511844204 /nfs/dbraw/zinc/84/42/04/511844204.db2.gz WBRPACSDOKFBNM-SJORKVTESA-N 1 0 374.466 2.623 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000327797339 511882463 /nfs/dbraw/zinc/88/24/63/511882463.db2.gz DYHWYQLGCJUZTN-INIZCTEOSA-N 1 0 363.439 2.662 20 5 FFBDRO COc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000296751659 511882925 /nfs/dbraw/zinc/88/29/25/511882925.db2.gz PTFSRWZGOCIQSB-LBPRGKRZSA-N 1 0 359.382 2.901 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H]([NH3+])C1 ZINC000296827174 511912342 /nfs/dbraw/zinc/91/23/42/511912342.db2.gz AYRGDRCUXISQJL-JKSUJKDBSA-N 1 0 357.385 2.999 20 5 FFBDRO C[C@H]([NH2+]C[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284885110 511912938 /nfs/dbraw/zinc/91/29/38/511912938.db2.gz BOCSVYCNBOODTQ-GOEBONIOSA-N 1 0 368.437 2.876 20 5 FFBDRO CCc1nocc1C[N@H+](C)CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000293401625 511951288 /nfs/dbraw/zinc/95/12/88/511951288.db2.gz LOOMTPFJPUPREI-UHFFFAOYSA-N 1 0 362.386 2.614 20 5 FFBDRO O=C(CC[NH+]1CCC(OCC2CC2)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000364117231 511968622 /nfs/dbraw/zinc/96/86/22/511968622.db2.gz JEXVAKOVCMFCGH-UHFFFAOYSA-N 1 0 365.405 2.954 20 5 FFBDRO C[C@@H]([NH2+]C1CCN(Cc2ccccn2)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293579545 512016039 /nfs/dbraw/zinc/01/60/39/512016039.db2.gz DVANZPUDSBYOOG-CQSZACIVSA-N 1 0 355.442 2.887 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000366431816 512019808 /nfs/dbraw/zinc/01/98/08/512019808.db2.gz SUFYFSIHUIQTDW-UHOFOFEASA-N 1 0 367.833 2.572 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC000275078757 512034582 /nfs/dbraw/zinc/03/45/82/512034582.db2.gz CNZMLXQCIXFIEK-VXGBXAGGSA-N 1 0 359.348 2.965 20 5 FFBDRO C[C@]1([NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCO[C@H]1C1CC1 ZINC000364235810 512036064 /nfs/dbraw/zinc/03/60/64/512036064.db2.gz RURYPZAXKDKMCP-IRXDYDNUSA-N 1 0 351.378 2.610 20 5 FFBDRO [NH3+]CC[C@H]1CCCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000281993014 512038764 /nfs/dbraw/zinc/03/87/64/512038764.db2.gz PSBZEXMLAQLUEQ-SNVBAGLBSA-N 1 0 356.220 2.558 20 5 FFBDRO CS[C@@H]1CN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C[C@@H]1[NH+]1CCCC1 ZINC000275126074 512049426 /nfs/dbraw/zinc/04/94/26/512049426.db2.gz NRUAKJUYZSVCEE-JKSUJKDBSA-N 1 0 374.466 2.728 20 5 FFBDRO CS[C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@H]1[NH+]1CCCC1 ZINC000275146476 512055587 /nfs/dbraw/zinc/05/55/87/512055587.db2.gz XVJASTLLWMEBHM-GOEBONIOSA-N 1 0 362.455 2.748 20 5 FFBDRO O=C(NCCCCC[NH+]1CCCC1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000293786482 512084872 /nfs/dbraw/zinc/08/48/72/512084872.db2.gz ADDSEXTWFZZKIV-UHFFFAOYSA-N 1 0 371.441 2.776 20 5 FFBDRO CCOC1CC2(C1)CC[N@@H+]([C@@H]1CCN(c3cccc([N+](=O)[O-])c3)C1=O)C2 ZINC000375767839 512496497 /nfs/dbraw/zinc/49/64/97/512496497.db2.gz JUAUJUPYGOPRLK-TVRKMHQQSA-N 1 0 359.426 2.591 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(CC(=O)NCCC[N@@H+]2CCCC[C@H]2C)c1F ZINC000411181705 512507859 /nfs/dbraw/zinc/50/78/59/512507859.db2.gz UYKABNHTWAWISL-CYBMUJFWSA-N 1 0 367.421 2.666 20 5 FFBDRO O=C1[C@@H]([N@@H+]2CCCC3(CCOCC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000375907743 512564937 /nfs/dbraw/zinc/56/49/37/512564937.db2.gz TZKPHQVTTCXOAY-KRWDZBQOSA-N 1 0 359.426 2.593 20 5 FFBDRO COCC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1ccc(C)o1 ZINC000411322892 512580477 /nfs/dbraw/zinc/58/04/77/512580477.db2.gz WQPLBXMIOJBUJM-UHFFFAOYSA-N 1 0 361.398 2.973 20 5 FFBDRO CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000367624972 512589830 /nfs/dbraw/zinc/58/98/30/512589830.db2.gz KACNZGQOCLGUFN-BHIYHBOVSA-N 1 0 371.437 2.697 20 5 FFBDRO COc1ccc(NC(=O)CC[NH2+]C2(CCO)CCCCC2)c([N+](=O)[O-])c1 ZINC000411396469 512615524 /nfs/dbraw/zinc/61/55/24/512615524.db2.gz XLDNFOVFOWHVCV-UHFFFAOYSA-N 1 0 365.430 2.607 20 5 FFBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(S(=O)(=O)C3CC3)C2)cc1[N+](=O)[O-] ZINC000376055242 512637392 /nfs/dbraw/zinc/63/73/92/512637392.db2.gz IWLNJGIGRNMZKM-UKRRQHHQSA-N 1 0 367.471 2.510 20 5 FFBDRO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)c1ncccc1[N+](=O)[O-] ZINC000374200435 512705374 /nfs/dbraw/zinc/70/53/74/512705374.db2.gz PQEJDSORTDQIBT-UHFFFAOYSA-N 1 0 361.490 2.622 20 5 FFBDRO COC[C@@H]1CCCCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000372087433 512710267 /nfs/dbraw/zinc/71/02/67/512710267.db2.gz CXUATCJSVLAMHQ-GFCCVEGCSA-N 1 0 355.822 2.935 20 5 FFBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2Cl)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000374308238 512757826 /nfs/dbraw/zinc/75/78/26/512757826.db2.gz FPYAXOYVAINOPD-CZUORRHYSA-N 1 0 352.866 2.710 20 5 FFBDRO CC(C)[C@@]1(CO)CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000368060151 512785066 /nfs/dbraw/zinc/78/50/66/512785066.db2.gz ZWWWURXREWKIIO-INIZCTEOSA-N 1 0 355.822 2.527 20 5 FFBDRO COCC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCSC1 ZINC000411751799 512793505 /nfs/dbraw/zinc/79/35/05/512793505.db2.gz BRAWESMTUYUYKZ-MRXNPFEDSA-N 1 0 367.471 2.767 20 5 FFBDRO C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2C(N)=O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000370167937 512800081 /nfs/dbraw/zinc/80/00/81/512800081.db2.gz WZDFWORPOJLTKL-UKRRQHHQSA-N 1 0 354.410 2.623 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000376484019 512838239 /nfs/dbraw/zinc/83/82/39/512838239.db2.gz KNIUNWRXCAAFHG-UHFFFAOYSA-N 1 0 373.413 2.535 20 5 FFBDRO CC(C)[C@@]1(CO)CC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000368229066 512855710 /nfs/dbraw/zinc/85/57/10/512855710.db2.gz STMWYFJZKONZNS-IBGZPJMESA-N 1 0 358.442 2.836 20 5 FFBDRO Cc1c(NC(=O)CC[NH+]2CCC([C@@H]3CCOC3)CC2)cccc1[N+](=O)[O-] ZINC000378653127 512866418 /nfs/dbraw/zinc/86/64/18/512866418.db2.gz WOIWGFRUSVBNTB-MRXNPFEDSA-N 1 0 361.442 2.980 20 5 FFBDRO CO[C@@](C)([C@H](C)[NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)C1CC1 ZINC000411973504 512897627 /nfs/dbraw/zinc/89/76/27/512897627.db2.gz RUMVCPXZCSBFFT-SGTLLEGYSA-N 1 0 363.414 2.686 20 5 FFBDRO CNc1c(C(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000390727043 512910524 /nfs/dbraw/zinc/91/05/24/512910524.db2.gz RZZYVGDPWNXXGR-AWEZNQCLSA-N 1 0 356.426 2.887 20 5 FFBDRO CC(C)(C)O[C@@H]1C[C@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1(C)C ZINC000412088821 512954701 /nfs/dbraw/zinc/95/47/01/512954701.db2.gz XWTMVAQNZFEUDP-XOKHGSTOSA-N 1 0 366.458 2.906 20 5 FFBDRO COc1ccc(CN[C@@H](c2nc(C)no2)C2CCOCC2)cc1[N+](=O)[O-] ZINC000376739435 512967235 /nfs/dbraw/zinc/96/72/35/512967235.db2.gz JGESQAGTJXOXRX-MRXNPFEDSA-N 1 0 362.386 2.552 20 5 FFBDRO C[NH+](C)C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)c2ccccc2O1 ZINC000370503705 512967639 /nfs/dbraw/zinc/96/76/39/512967639.db2.gz WVXDEQPJTTWEKB-ZDUSSCGKSA-N 1 0 359.357 2.703 20 5 FFBDRO O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N[C@@H]1CCC[NH2+]CC1 ZINC000368720303 513076025 /nfs/dbraw/zinc/07/60/25/513076025.db2.gz XDSKZYSUXWXLOL-GFCCVEGCSA-N 1 0 374.363 2.674 20 5 FFBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCCC2(CC[NH2+]CC2)C1 ZINC000368804443 513109046 /nfs/dbraw/zinc/10/90/46/513109046.db2.gz DWEGRRQNJAMDIA-UHFFFAOYSA-N 1 0 360.458 2.779 20 5 FFBDRO NC(=O)c1ccccc1N1CC[C@@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000370829496 513115560 /nfs/dbraw/zinc/11/55/60/513115560.db2.gz HACJVYJLZCKFKM-BIENSFFJSA-N 1 0 366.421 2.575 20 5 FFBDRO Cc1nn(Cc2ccc(C(=O)NCC[NH2+]C(C)(C)C)cc2)c(C)c1[N+](=O)[O-] ZINC000439497878 513127772 /nfs/dbraw/zinc/12/77/72/513127772.db2.gz XIRPGEKOSGMEBH-UHFFFAOYSA-N 1 0 373.457 2.574 20 5 FFBDRO O=C(Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000428553602 513129295 /nfs/dbraw/zinc/12/92/95/513129295.db2.gz XOPGYSPXHMSWAM-KRWDZBQOSA-N 1 0 359.357 2.553 20 5 FFBDRO CN(CC1([NH+](C)C)CCC1)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000445977384 513158281 /nfs/dbraw/zinc/15/82/81/513158281.db2.gz LCNGEGBJEDPUJS-UHFFFAOYSA-N 1 0 368.865 2.916 20 5 FFBDRO Cc1nc(NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000428672346 513161186 /nfs/dbraw/zinc/16/11/86/513161186.db2.gz XPYMLELGBRQATJ-INIZCTEOSA-N 1 0 358.467 2.750 20 5 FFBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)NCCCCc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000417714918 513177448 /nfs/dbraw/zinc/17/74/48/513177448.db2.gz IAEAVUGWACLVKA-KBAYOESNSA-N 1 0 360.458 2.686 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000439898855 513206615 /nfs/dbraw/zinc/20/66/15/513206615.db2.gz JAXTYSZEDHFNIV-CYBMUJFWSA-N 1 0 350.419 2.799 20 5 FFBDRO C[C@H](NC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]C1 ZINC000428997047 513245806 /nfs/dbraw/zinc/24/58/06/513245806.db2.gz RSAZOFDKBCYUBJ-HLLBOEOZSA-N 1 0 374.485 2.949 20 5 FFBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H](C)C1 ZINC000429012246 513252325 /nfs/dbraw/zinc/25/23/25/513252325.db2.gz SVAROROQNREWGK-CKEIUWERSA-N 1 0 371.441 2.807 20 5 FFBDRO C[C@H]1CCCN(c2ccc(C(=O)NCC[C@H]3CC[NH2+]C3)cc2[N+](=O)[O-])C1 ZINC000429103093 513277757 /nfs/dbraw/zinc/27/77/57/513277757.db2.gz BNAJYOKZCYWWOF-LSDHHAIUSA-N 1 0 360.458 2.561 20 5 FFBDRO C[C@H]1CCCN(c2ccc(C(=O)N[C@@](C)(C[NH3+])C3CC3)cc2[N+](=O)[O-])C1 ZINC000429221612 513307554 /nfs/dbraw/zinc/30/75/54/513307554.db2.gz KSGUAQIXZDHZIX-DJJJIMSYSA-N 1 0 360.458 2.688 20 5 FFBDRO [NH3+]C[C@@H](NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])C1CCCC1 ZINC000417985237 513317550 /nfs/dbraw/zinc/31/75/50/513317550.db2.gz GWDLBRWWRNSONU-CQSZACIVSA-N 1 0 354.838 2.607 20 5 FFBDRO CC(=O)N1CCC[N@H+](C[C@@H]2CCCN(c3cc(C)ccc3[N+](=O)[O-])C2)CC1 ZINC000450763649 513330207 /nfs/dbraw/zinc/33/02/07/513330207.db2.gz BMADGVXORXGSOH-SFHVURJKSA-N 1 0 374.485 2.674 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000429366193 513354605 /nfs/dbraw/zinc/35/46/05/513354605.db2.gz QVGXFIFKMNINQQ-CQSZACIVSA-N 1 0 360.458 2.648 20 5 FFBDRO COC(=O)[C@H]1CC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[C@H]1C(C)C ZINC000429378032 513358100 /nfs/dbraw/zinc/35/81/00/513358100.db2.gz ONFFJKLFNQRESW-HOCLYGCPSA-N 1 0 374.397 2.664 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000415648622 513361415 /nfs/dbraw/zinc/36/14/15/513361415.db2.gz CEHHJWWMQLFCBI-JKSUJKDBSA-N 1 0 370.409 2.952 20 5 FFBDRO CC[NH2+][C@H](C)CNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000415660271 513366507 /nfs/dbraw/zinc/36/65/07/513366507.db2.gz SRBQFZVESKHNGI-MRVPVSSYSA-N 1 0 359.224 2.785 20 5 FFBDRO C[C@H]1CCN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[C@@H](C[NH3+])C1 ZINC000418086177 513367331 /nfs/dbraw/zinc/36/73/31/513367331.db2.gz CEEXEGMQIPZWLD-IINYFYTJSA-N 1 0 374.363 2.882 20 5 FFBDRO C[C@@H]1CN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)[C@@H](C)C[NH2+]1 ZINC000415686454 513379663 /nfs/dbraw/zinc/37/96/63/513379663.db2.gz AJFBRCVUGSFEFM-BDAKNGLRSA-N 1 0 357.208 2.571 20 5 FFBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000421710621 513382756 /nfs/dbraw/zinc/38/27/56/513382756.db2.gz LMVCZJSKUSQYQD-GFCCVEGCSA-N 1 0 357.863 2.893 20 5 FFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCCN(c2ccnn2C)C1 ZINC000447071709 513392322 /nfs/dbraw/zinc/39/23/22/513392322.db2.gz BQSSZGKPMBYWOT-JBXOJTMHSA-N 1 0 355.442 2.990 20 5 FFBDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)c3cc(C(F)(F)F)ccc3[N+](=O)[O-])[C@@H]2C1 ZINC000425057585 513394709 /nfs/dbraw/zinc/39/47/09/513394709.db2.gz BAVWWLXHTYXVEG-IINYFYTJSA-N 1 0 357.332 2.780 20 5 FFBDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)c3ccnc(-c4ccccc4)c3[N+](=O)[O-])[C@@H]2C1 ZINC000425070689 513401355 /nfs/dbraw/zinc/40/13/55/513401355.db2.gz XALVUZBIWSMHKG-DOTOQJQBSA-N 1 0 366.421 2.823 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2CCCCN2C2CC2)cc1C ZINC000434765117 513422791 /nfs/dbraw/zinc/42/27/91/513422791.db2.gz PTLGMSZREJLTMN-HNNXBMFYSA-N 1 0 367.471 2.507 20 5 FFBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000415970978 513508040 /nfs/dbraw/zinc/50/80/40/513508040.db2.gz IZIHMSOSCOWQRJ-UHFFFAOYSA-N 1 0 370.409 2.783 20 5 FFBDRO CC[NH+]1CCC(N2CCCN(C(=O)c3cc(C)ccc3[N+](=O)[O-])CC2)CC1 ZINC000422014056 513522118 /nfs/dbraw/zinc/52/21/18/513522118.db2.gz FSUFHQMFHHEOLV-UHFFFAOYSA-N 1 0 374.485 2.535 20 5 FFBDRO CN(CC(C)(C)C[NH+]1CCOCC1)c1ccc([N+](=O)[O-])c2ncccc12 ZINC000413211307 513524312 /nfs/dbraw/zinc/52/43/12/513524312.db2.gz WZIFRGORYVOMIH-UHFFFAOYSA-N 1 0 358.442 2.938 20 5 FFBDRO COc1cc(NC(=O)C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])cc(OC)c1 ZINC000425357292 513525730 /nfs/dbraw/zinc/52/57/30/513525730.db2.gz RTIKWJMXXNVKNZ-CYBMUJFWSA-N 1 0 373.409 2.771 20 5 FFBDRO COc1ccc(C[NH2+][C@@H](C2CCOCC2)C2(CO)CCC2)cc1[N+](=O)[O-] ZINC000425372323 513533749 /nfs/dbraw/zinc/53/37/49/513533749.db2.gz NLBXTQVJKOZRTO-SFHVURJKSA-N 1 0 364.442 2.651 20 5 FFBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC2(CCC(O)CC2)CC1 ZINC000451154515 513555107 /nfs/dbraw/zinc/55/51/07/513555107.db2.gz LYFXWMSLJILDIR-AWEZNQCLSA-N 1 0 361.442 2.939 20 5 FFBDRO CCn1ccnc1CN(Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435422887 513578627 /nfs/dbraw/zinc/57/86/27/513578627.db2.gz QITVOUJSJXRDTD-GOSISDBHSA-N 1 0 369.469 2.956 20 5 FFBDRO O=[N+]([O-])c1cc(Br)ccc1C[NH2+]C1(CO)CCSCC1 ZINC000425467559 513581136 /nfs/dbraw/zinc/58/11/36/513581136.db2.gz CENWMQTYIAJBGH-UHFFFAOYSA-N 1 0 361.261 2.705 20 5 FFBDRO C[NH+](C)[C@H]1CCC[C@H](Nc2cc(CN3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000447817336 513581919 /nfs/dbraw/zinc/58/19/19/513581919.db2.gz NNCPNWMIHCKYEQ-IRXDYDNUSA-N 1 0 362.474 2.712 20 5 FFBDRO Cc1ncsc1CN(C[C@@H]1CC[NH2+]C1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000435598295 513629852 /nfs/dbraw/zinc/62/98/52/513629852.db2.gz QIYHOPHVUKFOLE-CYBMUJFWSA-N 1 0 360.439 2.612 20 5 FFBDRO Cc1cc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)n(C2CC[NH+](C)CC2)n1 ZINC000430447783 513656282 /nfs/dbraw/zinc/65/62/82/513656282.db2.gz NWJOSADDRYWYRZ-UHFFFAOYSA-N 1 0 361.377 2.758 20 5 FFBDRO O=C(NCC[NH+]1CCCC1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000435836702 513694847 /nfs/dbraw/zinc/69/48/47/513694847.db2.gz RIKKIMMDSBDCQY-UHFFFAOYSA-N 1 0 353.397 2.646 20 5 FFBDRO C[C@@]12C[N@H+](CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000451360678 513700514 /nfs/dbraw/zinc/70/05/14/513700514.db2.gz FQIBKBPCPQMUSI-MJEZEWASSA-N 1 0 353.422 2.628 20 5 FFBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)[C@@H](C)C[N@@H+]1CCO ZINC000419007336 513714903 /nfs/dbraw/zinc/71/49/03/513714903.db2.gz RKRAMHWRQYQKQS-KGLIPLIRSA-N 1 0 351.447 2.663 20 5 FFBDRO O=C(NCC1CC[NH+](C2CC2)CC1)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000451445170 513754392 /nfs/dbraw/zinc/75/43/92/513754392.db2.gz HMRJCKDIVNWQMQ-UHFFFAOYSA-N 1 0 369.425 2.589 20 5 FFBDRO COc1ccc(NC(=O)CC[NH2+][C@@H]2C[C@@](C)(OC)C2(C)C)c([N+](=O)[O-])c1 ZINC000451486973 513780971 /nfs/dbraw/zinc/78/09/71/513780971.db2.gz KMPDXOCMDNTCKP-CRAIPNDOSA-N 1 0 365.430 2.725 20 5 FFBDRO C[NH+](C)C1(CNC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CCCCC1 ZINC000448574331 513788794 /nfs/dbraw/zinc/78/87/94/513788794.db2.gz RHPSSIUAAHJAPS-UHFFFAOYSA-N 1 0 371.441 2.775 20 5 FFBDRO COc1cc(C(=O)NCc2ccc(C[NH+](C)C)cc2)c([N+](=O)[O-])cc1F ZINC000448594078 513798793 /nfs/dbraw/zinc/79/87/93/513798793.db2.gz IYQUGDDJVQVBIN-UHFFFAOYSA-N 1 0 361.373 2.734 20 5 FFBDRO Nc1c(C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)cc(F)cc1[N+](=O)[O-] ZINC000436230359 513803063 /nfs/dbraw/zinc/80/30/63/513803063.db2.gz HUQXDYGJVBXZHR-CQSZACIVSA-N 1 0 364.421 2.843 20 5 FFBDRO COc1ccc(-c2ccc(CN3C[C@@H]4C[N@@H+](C)C[C@@H]4C3)o2)c([N+](=O)[O-])c1 ZINC000425995750 513820450 /nfs/dbraw/zinc/82/04/50/513820450.db2.gz MQTWDRJRBOQEJE-OKILXGFUSA-N 1 0 357.410 2.857 20 5 FFBDRO Cc1cc(NC(=O)NCc2ccccc2[N+](=O)[O-])n(C2CC[NH+](C)CC2)n1 ZINC000431121954 513832018 /nfs/dbraw/zinc/83/20/18/513832018.db2.gz SGAJUXVQCVXLIJ-UHFFFAOYSA-N 1 0 372.429 2.688 20 5 FFBDRO COc1cc(C[NH2+]C[C@H]2Cc3ccccc3N(C)C2)c([N+](=O)[O-])cc1O ZINC000436379900 513841009 /nfs/dbraw/zinc/84/10/09/513841009.db2.gz SWWCNFLDDOZVTD-CYBMUJFWSA-N 1 0 357.410 2.707 20 5 FFBDRO CC(C)(C)[NH+]1CCC(NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)CC1 ZINC000448747418 513878184 /nfs/dbraw/zinc/87/81/84/513878184.db2.gz JUSAKTYSNDZNBZ-UHFFFAOYSA-N 1 0 371.441 2.978 20 5 FFBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)[C@@H]1CCCC[C@H]1O ZINC000426234775 513879684 /nfs/dbraw/zinc/87/96/84/513879684.db2.gz AKUNVYOSZDNFAE-COLVAYQJSA-N 1 0 355.822 2.811 20 5 FFBDRO [NH3+][C@H]1CCCN(C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C1 ZINC000422687315 513903052 /nfs/dbraw/zinc/90/30/52/513903052.db2.gz BLTAUAMTJNEXGI-LBPRGKRZSA-N 1 0 357.360 2.523 20 5 FFBDRO COc1ccc(OCC[N@H+](C)Cc2ccc(O)c(OC)c2)c([N+](=O)[O-])c1 ZINC000426358921 513913540 /nfs/dbraw/zinc/91/35/40/513913540.db2.gz BMOSEFPOFWUQIZ-UHFFFAOYSA-N 1 0 362.382 2.828 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CC[C@@H]4C[C@@H](O)CC[C@H]4C3)n2)cc1 ZINC000451693430 513915632 /nfs/dbraw/zinc/91/56/32/513915632.db2.gz IDGSTGGVZILEOE-YCPHGPKFSA-N 1 0 358.398 2.628 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CC[C@@H]4C[C@H](O)CC[C@@H]4C3)n2)c1 ZINC000451707783 513926650 /nfs/dbraw/zinc/92/66/50/513926650.db2.gz NBZMPBUJMVLERT-XNRPHZJLSA-N 1 0 358.398 2.628 20 5 FFBDRO O=C(NCCNc1ccccc1[N+](=O)[O-])[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000431625639 513949298 /nfs/dbraw/zinc/94/92/98/513949298.db2.gz ZKMWXWDUYBLNOB-GOSISDBHSA-N 1 0 360.458 2.920 20 5 FFBDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000422840818 513949444 /nfs/dbraw/zinc/94/94/44/513949444.db2.gz CCWGFHILNVBVBD-WDEREUQCSA-N 1 0 357.863 2.926 20 5 FFBDRO CCOc1ccc(NC(=O)C[N@H+](C)[C@H](CO)CC(C)(C)C)c([N+](=O)[O-])c1 ZINC000451782767 513976765 /nfs/dbraw/zinc/97/67/65/513976765.db2.gz RLYNKJZXHIDZSF-ZDUSSCGKSA-N 1 0 367.446 2.661 20 5 FFBDRO COc1cc(C(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000448932283 513978976 /nfs/dbraw/zinc/97/89/76/513978976.db2.gz HSAWPQFBQBITMG-RYUDHWBXSA-N 1 0 353.394 2.735 20 5 FFBDRO O=C(N[C@H](C1CC1)C(F)(F)F)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000451787639 513980627 /nfs/dbraw/zinc/98/06/27/513980627.db2.gz NAFMUEAHUMDZHD-CYBMUJFWSA-N 1 0 354.288 2.851 20 5 FFBDRO COc1ccc([C@H](CO)C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000414202334 514009231 /nfs/dbraw/zinc/00/92/31/514009231.db2.gz YWXBJYCNZCTRMT-RYQLBKOJSA-N 1 0 374.441 2.649 20 5 FFBDRO Cn1ccnc1C(=O)c1ccc(NC[C@@H]2[NH2+]CCCC2(C)C)c([N+](=O)[O-])c1 ZINC000420250251 514059986 /nfs/dbraw/zinc/05/99/86/514059986.db2.gz ZPEVYNOXDKOKDL-INIZCTEOSA-N 1 0 371.441 2.749 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(NS(C)(=O)=O)cc1 ZINC000449082750 514065240 /nfs/dbraw/zinc/06/52/40/514065240.db2.gz PRWBVSXKHJOTCN-CYBMUJFWSA-N 1 0 363.439 2.687 20 5 FFBDRO CCNC(=O)COc1cccc(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000449086928 514066436 /nfs/dbraw/zinc/06/64/36/514066436.db2.gz DURDLOAIWDCAJR-OAHLLOKOSA-N 1 0 371.437 2.831 20 5 FFBDRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2Nc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000420276366 514068959 /nfs/dbraw/zinc/06/89/59/514068959.db2.gz HHQREJHPCGXRFZ-PHDAOHEYSA-N 1 0 358.442 2.759 20 5 FFBDRO CCc1ccccc1[C@H]([NH3+])CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000420280498 514070339 /nfs/dbraw/zinc/07/03/39/514070339.db2.gz QJKYATKDVREREC-OAHLLOKOSA-N 1 0 363.439 2.673 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](O)COc1ccc(F)c(F)c1 ZINC000449132353 514085254 /nfs/dbraw/zinc/08/52/54/514085254.db2.gz UGAFBGUCDFWOMG-TZMCWYRMSA-N 1 0 366.364 2.834 20 5 FFBDRO C[C@H](C[NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000449130903 514085385 /nfs/dbraw/zinc/08/53/85/514085385.db2.gz ITTPANUTTSQZJF-CQSZACIVSA-N 1 0 362.451 2.934 20 5 FFBDRO CC(C)OCCOC1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000451949155 514087912 /nfs/dbraw/zinc/08/79/12/514087912.db2.gz BALWFAUZYDVZJZ-UHFFFAOYSA-N 1 0 352.431 2.880 20 5 FFBDRO Cc1c(NC(=O)[C@H](C)N2CCC([C@H]3CCC[NH2+]3)CC2)cccc1[N+](=O)[O-] ZINC000420332142 514098571 /nfs/dbraw/zinc/09/85/71/514098571.db2.gz CRFFEQWPAVGUCE-WMLDXEAASA-N 1 0 360.458 2.694 20 5 FFBDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1c1ccnc2c1cccc2[N+](=O)[O-] ZINC000432152079 514109816 /nfs/dbraw/zinc/10/98/16/514109816.db2.gz IDVCGSGSBXUZFB-CQSZACIVSA-N 1 0 356.426 2.833 20 5 FFBDRO O=C(CNc1ccnc2c1cccc2[N+](=O)[O-])NCC[NH+]1CCCCCC1 ZINC000432170744 514114618 /nfs/dbraw/zinc/11/46/18/514114618.db2.gz VELNJYWNEUPXQW-UHFFFAOYSA-N 1 0 371.441 2.547 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCN(CC(F)(F)F)C1=O ZINC000449213749 514116919 /nfs/dbraw/zinc/11/69/19/514116919.db2.gz VRCKWVYYCIIITJ-AAEUAGOBSA-N 1 0 359.348 2.669 20 5 FFBDRO Cn1ccnc1[C@@H](NC[C@@H]1[NH2+]CCCC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000423392855 514126820 /nfs/dbraw/zinc/12/68/20/514126820.db2.gz QUWJQURYWVHMJK-IRXDYDNUSA-N 1 0 357.458 2.786 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cnc(N2CCOCC2)c(F)c1 ZINC000449248402 514130031 /nfs/dbraw/zinc/13/00/31/514130031.db2.gz JCSAZNTYFYXEOM-AWEZNQCLSA-N 1 0 374.416 2.686 20 5 FFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1NCCc2ccccc21 ZINC000423431316 514140518 /nfs/dbraw/zinc/14/05/18/514140518.db2.gz QJRMJGWVOOYDCS-KUHUBIRLSA-N 1 0 368.437 2.789 20 5 FFBDRO CN(C)C(=O)N[C@@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000452021965 514140689 /nfs/dbraw/zinc/14/06/89/514140689.db2.gz UFPMQPJJJUAOIE-GFCCVEGCSA-N 1 0 374.363 2.849 20 5 FFBDRO O=C(CCN1CC[NH2+]C[C@@H]1c1ccccc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000420421200 514142912 /nfs/dbraw/zinc/14/29/12/514142912.db2.gz YNGIUAJLUVWUNE-GOSISDBHSA-N 1 0 354.410 2.570 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCN(C(=O)Cc2ccccc2)C1 ZINC000449314111 514160155 /nfs/dbraw/zinc/16/01/55/514160155.db2.gz YXCSZEACPBDPBE-QFBILLFUSA-N 1 0 367.449 2.959 20 5 FFBDRO CC[N@H+](CCNC(=O)c1ccc(OC)c([N+](=O)[O-])c1)CCC(F)(F)F ZINC000427279046 514171322 /nfs/dbraw/zinc/17/13/22/514171322.db2.gz BNEGSMPIGOVNEH-UHFFFAOYSA-N 1 0 363.336 2.608 20 5 FFBDRO CC(C)(C[NH+]1CCCC1)NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000452093099 514187278 /nfs/dbraw/zinc/18/72/78/514187278.db2.gz GHSGKEKTFVABQW-UHFFFAOYSA-N 1 0 354.838 2.651 20 5 FFBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000423636944 514190202 /nfs/dbraw/zinc/19/02/02/514190202.db2.gz QQLXYLKEVUSLTE-HFBDOXOYSA-N 1 0 357.863 2.843 20 5 FFBDRO CC(C)(C[NH+]1CCCC1)NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000452100023 514192338 /nfs/dbraw/zinc/19/23/38/514192338.db2.gz YHBOBPMRFQKPGD-UHFFFAOYSA-N 1 0 354.838 2.651 20 5 FFBDRO COc1cc(C(=O)N(CC[NH3+])CCc2ccccc2)cc([N+](=O)[O-])c1C ZINC000423647144 514192554 /nfs/dbraw/zinc/19/25/54/514192554.db2.gz HNTVWPRMOFEJAB-UHFFFAOYSA-N 1 0 357.410 2.555 20 5 FFBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCCCN1CCO ZINC000449394588 514192614 /nfs/dbraw/zinc/19/26/14/514192614.db2.gz NXYYHNYBBXEHBK-UHOSZYNNSA-N 1 0 361.486 2.742 20 5 FFBDRO CCc1ccccc1[C@H]([NH3+])CNC(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000417177991 514211845 /nfs/dbraw/zinc/21/18/45/514211845.db2.gz DGMDMNQBVMFNMM-MRXNPFEDSA-N 1 0 372.425 2.665 20 5 FFBDRO [NH3+]CCC[C@H](NC(=O)NCCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000417236236 514250481 /nfs/dbraw/zinc/25/04/81/514250481.db2.gz SYPKZPKPQLYNIH-SFHVURJKSA-N 1 0 356.426 2.917 20 5 FFBDRO Cn1cc(C[N@@H+]2CC[C@@H]3C[C@H](O)CC[C@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000449558873 514254498 /nfs/dbraw/zinc/25/44/98/514254498.db2.gz XEJBXNAGRUUYSY-JTDSTZFVSA-N 1 0 370.453 2.978 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)C(=O)NCCc1ccccc1 ZINC000449580669 514261785 /nfs/dbraw/zinc/26/17/85/514261785.db2.gz SPTHGZHYIJZDRX-HOTGVXAUSA-N 1 0 355.438 2.863 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCO[C@@H](c2ccnn2C)C1 ZINC000449582365 514263609 /nfs/dbraw/zinc/26/36/09/514263609.db2.gz FVXMNLUEXQHNTH-RDTXWAMCSA-N 1 0 360.414 2.737 20 5 FFBDRO CC[NH2+]Cc1cccc(NC(=O)C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000414736027 514264724 /nfs/dbraw/zinc/26/47/24/514264724.db2.gz MKAIDYPETQHMHP-ZDUSSCGKSA-N 1 0 370.409 2.520 20 5 FFBDRO COc1cc(C[NH2+][C@@H]2CCO[C@@H](c3ccccn3)C2)c([N+](=O)[O-])cc1O ZINC000449615616 514271521 /nfs/dbraw/zinc/27/15/21/514271521.db2.gz MQVPVWMXFQFBRK-CXAGYDPISA-N 1 0 359.382 2.714 20 5 FFBDRO CCOc1cc(NC(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)c([N+](=O)[O-])cc1OCC ZINC000414752644 514273899 /nfs/dbraw/zinc/27/38/99/514273899.db2.gz CFMHLMOPWPCVJV-NWDGAFQWSA-N 1 0 366.418 2.593 20 5 FFBDRO CCOc1cc(NC(=O)N[C@@](C)(C[NH3+])C(C)C)c([N+](=O)[O-])cc1OCC ZINC000414753182 514274492 /nfs/dbraw/zinc/27/44/92/514274492.db2.gz DHNDUOODSKNFQH-KRWDZBQOSA-N 1 0 368.434 2.887 20 5 FFBDRO CCOc1cc(NC(=O)N2CC[C@](C)(C[NH3+])C2)c([N+](=O)[O-])cc1OCC ZINC000414756191 514276624 /nfs/dbraw/zinc/27/66/24/514276624.db2.gz IXWKIBOZJNXNQD-QGZVFWFLSA-N 1 0 366.418 2.595 20 5 FFBDRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000423938215 514297207 /nfs/dbraw/zinc/29/72/07/514297207.db2.gz ISNXLOHYCUIJCU-INIZCTEOSA-N 1 0 357.410 2.904 20 5 FFBDRO Cn1cc(C[N@@H+]2CCC[C@@]3(CCOC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000449681881 514301612 /nfs/dbraw/zinc/30/16/12/514301612.db2.gz FJSWTTORWMNKFQ-LJQANCHMSA-N 1 0 356.426 2.998 20 5 FFBDRO [NH3+]C[C@H](NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)C1CCCC1 ZINC000423964576 514312040 /nfs/dbraw/zinc/31/20/40/514312040.db2.gz QMVHDLJGORJGLN-AWEZNQCLSA-N 1 0 360.439 2.966 20 5 FFBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N[C@H]3CC[C@H](C[NH3+])C3)cc2[N+](=O)[O-])C1 ZINC000449713152 514319177 /nfs/dbraw/zinc/31/91/77/514319177.db2.gz WHDYXKGLSQGWHJ-IVSAIRAKSA-N 1 0 374.485 2.934 20 5 FFBDRO O=C(Nc1nc(C2CC[NH2+]CC2)cs1)c1ccc([N+](=O)[O-])cc1F ZINC000423979719 514319550 /nfs/dbraw/zinc/31/95/50/514319550.db2.gz QGEXXXQMTRULSJ-UHFFFAOYSA-N 1 0 350.375 2.910 20 5 FFBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N[C@@H]3CC[C@H](C[NH3+])C3)cc2[N+](=O)[O-])C1 ZINC000449713154 514319617 /nfs/dbraw/zinc/31/96/17/514319617.db2.gz WHDYXKGLSQGWHJ-QSJFSLAZSA-N 1 0 374.485 2.934 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N[C@H]3CC[NH2+]C3(C)C)cc2[N+](=O)[O-])C1 ZINC000449745435 514330176 /nfs/dbraw/zinc/33/01/76/514330176.db2.gz BYAXMRUQPAKQLE-DYVFJYSZSA-N 1 0 360.458 2.701 20 5 FFBDRO COc1ccc(-c2ccc(C[NH2+][C@@H]3CC[C@H](C(N)=O)C3)o2)c([N+](=O)[O-])c1 ZINC000449744289 514331900 /nfs/dbraw/zinc/33/19/00/514331900.db2.gz GBPOJIIWSWSMOT-NWDGAFQWSA-N 1 0 359.382 2.607 20 5 FFBDRO C[C@@H]1CCN(C(=O)c2cccc3c2[nH]c2c(F)cccc2c3=O)C[C@H]1C[NH3+] ZINC000424001201 514332155 /nfs/dbraw/zinc/33/21/55/514332155.db2.gz OWJPOCWCRCWZEE-CHWSQXEVSA-N 1 0 367.424 2.877 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])[nH]1)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000427910114 514344794 /nfs/dbraw/zinc/34/47/94/514344794.db2.gz WVUXZQSHUCQPMZ-HZPDHXFCSA-N 1 0 354.410 2.517 20 5 FFBDRO [NH3+][C@@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])CC[C@H]1c1ccc(F)cc1 ZINC000424048010 514356579 /nfs/dbraw/zinc/35/65/79/514356579.db2.gz WPAWULFHSNJLJZ-DLBZAZTESA-N 1 0 357.385 2.620 20 5 FFBDRO C[C@@H]1C[C@H](C)N(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000424053116 514359216 /nfs/dbraw/zinc/35/92/16/514359216.db2.gz NWJBEPHBSKXYGI-YCPHGPKFSA-N 1 0 360.458 2.640 20 5 FFBDRO COc1cccc([C@H](CNc2nc3cc([N+](=O)[O-])ccc3[nH]2)[NH+](C)C)c1 ZINC000427983884 514365880 /nfs/dbraw/zinc/36/58/80/514365880.db2.gz MLBAEFKLPMPCIB-KRWDZBQOSA-N 1 0 355.398 2.616 20 5 FFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1NCCc2ccccc21 ZINC000414941912 514366216 /nfs/dbraw/zinc/36/62/16/514366216.db2.gz BGYNRQHGHMRWPQ-AUUYWEPGSA-N 1 0 368.437 2.789 20 5 FFBDRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414944299 514368427 /nfs/dbraw/zinc/36/84/27/514368427.db2.gz GOHONRDGVFOKOE-LBPRGKRZSA-N 1 0 358.345 2.706 20 5 FFBDRO COCCO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433062369 514368904 /nfs/dbraw/zinc/36/89/04/514368904.db2.gz OHZXBHTXGDBUMO-RCCFBDPRSA-N 1 0 364.442 2.727 20 5 FFBDRO Cc1cc(NC(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000433069155 514369471 /nfs/dbraw/zinc/36/94/71/514369471.db2.gz BZGKXUTZYOSOBJ-AWEZNQCLSA-N 1 0 350.419 2.526 20 5 FFBDRO C[NH+](C)CC[C@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)C(C)(C)C ZINC000449879729 514405156 /nfs/dbraw/zinc/40/51/56/514405156.db2.gz JJHTUMGPHHWZEW-KRWDZBQOSA-N 1 0 373.457 2.877 20 5 FFBDRO CC[NH2+]Cc1ccccc1NC(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 ZINC000428306764 514444849 /nfs/dbraw/zinc/44/48/49/514444849.db2.gz QQPSWZUOBQPJTG-UHFFFAOYSA-N 1 0 359.382 2.974 20 5 FFBDRO CC1(C)C[C@@H]([NH2+][C@@H]2CCN(C3CCOCC3)C2=O)c2cc([N+](=O)[O-])ccc21 ZINC000433286132 514445780 /nfs/dbraw/zinc/44/57/80/514445780.db2.gz NLERNMGGOVNNBK-QZTJIDSGSA-N 1 0 373.453 2.687 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+](Cc2ccc3ccccc3c2)C2CC2)c1 ZINC000438829087 514450040 /nfs/dbraw/zinc/45/00/40/514450040.db2.gz IYRUCDATLQAQLF-HXUWFJFHSA-N 1 0 366.421 2.970 20 5 FFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCN(C)C(=O)C1 ZINC000424336626 514459180 /nfs/dbraw/zinc/45/91/80/514459180.db2.gz ZBJMDYOXJPAQHT-KBPBESRZSA-N 1 0 351.472 2.924 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+](CCO)[C@H]3CCCSC3)co2)cc1 ZINC000439001867 514481019 /nfs/dbraw/zinc/48/10/19/514481019.db2.gz FEAJMWWIOFNJJU-INIZCTEOSA-N 1 0 363.439 2.940 20 5 FFBDRO Cc1ccc(S(=O)(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000470615177 514550224 /nfs/dbraw/zinc/55/02/24/514550224.db2.gz USRMEGASIZINGR-QLFBSQMISA-N 1 0 369.487 2.548 20 5 FFBDRO C[C@H](C(=O)NCCc1ccccc1[N+](=O)[O-])N1CCc2ccccc2C1 ZINC000461255698 514552689 /nfs/dbraw/zinc/55/26/89/514552689.db2.gz DQHDKHNHFCDGME-OAHLLOKOSA-N 1 0 353.422 2.700 20 5 FFBDRO O=C(NC1CC[NH+](C2CCC2)CC1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000455562919 514594986 /nfs/dbraw/zinc/59/49/86/514594986.db2.gz OIHUMMWAIXYQSG-UHFFFAOYSA-N 1 0 358.442 2.679 20 5 FFBDRO O=C([C@H]1CCC[N@@H+]1C1CCCC1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000461409862 514601552 /nfs/dbraw/zinc/60/15/52/514601552.db2.gz YISYRIZLBYXWSH-QGZVFWFLSA-N 1 0 359.426 2.723 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H](C)C[NH+]2CCCCC2)cc1C ZINC000497782218 514637579 /nfs/dbraw/zinc/63/75/79/514637579.db2.gz JBNPSPXBYJKJPX-CYBMUJFWSA-N 1 0 369.487 2.612 20 5 FFBDRO CCS(=O)(=O)c1cccc(C[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000466411531 514639763 /nfs/dbraw/zinc/63/97/63/514639763.db2.gz BWTIHKLMUIAFSQ-UHFFFAOYSA-N 1 0 364.423 2.687 20 5 FFBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)cc1OC ZINC000461660420 514688386 /nfs/dbraw/zinc/68/83/86/514688386.db2.gz SRFSOYFABYMNLB-GFCCVEGCSA-N 1 0 367.446 2.708 20 5 FFBDRO Cc1cc(NCc2ccc(N3CC[NH+](C)CC3)nc2)c(F)cc1[N+](=O)[O-] ZINC000461734094 514713895 /nfs/dbraw/zinc/71/38/95/514713895.db2.gz UMESHTZGGQVYSG-UHFFFAOYSA-N 1 0 359.405 2.801 20 5 FFBDRO C[C@@H](NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C(C)(C)C[NH+](C)C ZINC000479763391 514715189 /nfs/dbraw/zinc/71/51/89/514715189.db2.gz PCRVLYBPQYGJCN-CYBMUJFWSA-N 1 0 373.457 2.701 20 5 FFBDRO COC(=O)COc1ccc(C[N@H+](C)C2Cc3ccccc3C2)cc1[N+](=O)[O-] ZINC000475567225 514716892 /nfs/dbraw/zinc/71/68/92/514716892.db2.gz CPVWCWPOUYQIRQ-UHFFFAOYSA-N 1 0 370.405 2.746 20 5 FFBDRO COc1cc(N2CC[C@@H](OCC[NH+]3CCCCC3)C2)c(F)cc1[N+](=O)[O-] ZINC000508256516 514723420 /nfs/dbraw/zinc/72/34/20/514723420.db2.gz HWTPOLOZYWTSJC-CQSZACIVSA-N 1 0 367.421 2.824 20 5 FFBDRO COc1cc(C[NH2+]C[C@@H]2CC[C@@H](C)O2)c([N+](=O)[O-])cc1OCC(F)F ZINC000453633215 514741800 /nfs/dbraw/zinc/74/18/00/514741800.db2.gz RFYIIXNQFSGAFO-PWSUYJOCSA-N 1 0 360.357 2.904 20 5 FFBDRO COCC[NH+](CCOC)C1CCN(c2cc(C)c([N+](=O)[O-])cc2F)CC1 ZINC000461872344 514761364 /nfs/dbraw/zinc/76/13/64/514761364.db2.gz RYKNYNRLLKLIRO-UHFFFAOYSA-N 1 0 369.437 2.606 20 5 FFBDRO COC(=O)COc1ccc(C[N@@H+]2CC[C@H]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000475719512 514776546 /nfs/dbraw/zinc/77/65/46/514776546.db2.gz UPRODPOIZFZIGR-KRWDZBQOSA-N 1 0 370.405 2.964 20 5 FFBDRO Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000508511234 514803813 /nfs/dbraw/zinc/80/38/13/514803813.db2.gz DKVWVBOKOQQHTN-UHFFFAOYSA-N 1 0 370.457 2.703 20 5 FFBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2cc([N+](=O)[O-])nn2C)cc1 ZINC000476071772 514907045 /nfs/dbraw/zinc/90/70/45/514907045.db2.gz IOFYNRVCFHMNOK-CQSZACIVSA-N 1 0 371.441 2.633 20 5 FFBDRO CNc1nc(C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)ccc1[N+](=O)[O-] ZINC000456031611 514913772 /nfs/dbraw/zinc/91/37/72/514913772.db2.gz IJUOFMZJECJZQT-CQSZACIVSA-N 1 0 361.446 2.558 20 5 FFBDRO CN(CC[NH+]1CCCC1)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000498471283 514917815 /nfs/dbraw/zinc/91/78/15/514917815.db2.gz HETAZVJIOMKXAL-UHFFFAOYSA-N 1 0 354.838 2.528 20 5 FFBDRO C[C@H](Cc1ccc(O)cc1)[N@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000485203980 514955770 /nfs/dbraw/zinc/95/57/70/514955770.db2.gz ICODQMLWMXMGEJ-CQSZACIVSA-N 1 0 369.421 2.753 20 5 FFBDRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000476225670 514956850 /nfs/dbraw/zinc/95/68/50/514956850.db2.gz SHZAGIJCNVVTCQ-HNNXBMFYSA-N 1 0 358.442 2.930 20 5 FFBDRO COCC[C@H]([NH2+][C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)C(C)(C)C ZINC000508989148 514978237 /nfs/dbraw/zinc/97/82/37/514978237.db2.gz ZLTQKUZXMARFHX-WBMJQRKESA-N 1 0 367.446 2.971 20 5 FFBDRO COc1cc(C(=O)N[C@@H]2C[N@H+](C)C[C@@H]2c2ccccc2)cc([N+](=O)[O-])c1C ZINC000480581397 515007673 /nfs/dbraw/zinc/00/76/73/515007673.db2.gz BPVSHUCPLSRDOM-IAGOWNOFSA-N 1 0 369.421 2.739 20 5 FFBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](CCSC)C(=O)N(C)C)cc1[N+](=O)[O-] ZINC000489911288 515028305 /nfs/dbraw/zinc/02/83/05/515028305.db2.gz ZNYRDGUYMVNBAB-OCCSQVGLSA-N 1 0 369.487 2.854 20 5 FFBDRO COCC[N@@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000485411683 515029102 /nfs/dbraw/zinc/02/91/02/515029102.db2.gz IQCOMYGVSHPYKQ-MRXNPFEDSA-N 1 0 374.416 2.741 20 5 FFBDRO Cn1cnc([N+](=O)[O-])c1CN1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000471845725 515029123 /nfs/dbraw/zinc/02/91/23/515029123.db2.gz LLXGUJIOMYQOIB-IRXDYDNUSA-N 1 0 357.458 2.500 20 5 FFBDRO CC[N@@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000462441383 515053743 /nfs/dbraw/zinc/05/37/43/515053743.db2.gz NOOORFQYKFPPEL-MRXNPFEDSA-N 1 0 356.426 2.887 20 5 FFBDRO COc1ccc(NC(=O)CC[NH2+][C@@H]2CCC[C@H]2OC(F)F)c([N+](=O)[O-])c1 ZINC000503515957 515062648 /nfs/dbraw/zinc/06/26/48/515062648.db2.gz JKKQOKFCINKCJT-TZMCWYRMSA-N 1 0 373.356 2.682 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)c1C ZINC000480926159 515138651 /nfs/dbraw/zinc/13/86/51/515138651.db2.gz KNHXXMMNIVDQFS-KGLIPLIRSA-N 1 0 369.487 2.753 20 5 FFBDRO Cc1nc2sccn2c(=O)c1CC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000509360987 515140553 /nfs/dbraw/zinc/14/05/53/515140553.db2.gz YMPQYCAQVHXLQU-UHFFFAOYSA-N 1 0 370.434 2.573 20 5 FFBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000462599328 515146322 /nfs/dbraw/zinc/14/63/22/515146322.db2.gz AXEYGNODNVQNEC-HNNXBMFYSA-N 1 0 365.393 2.805 20 5 FFBDRO C[C@H]([NH2+][C@@H]1CCN(C(=O)COc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000509531886 515221335 /nfs/dbraw/zinc/22/13/35/515221335.db2.gz GTOXLHXDKUGNIN-DOTOQJQBSA-N 1 0 369.421 2.925 20 5 FFBDRO CCOC(=O)CC(C)(C)[N@H+](C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000490649819 515272439 /nfs/dbraw/zinc/27/24/39/515272439.db2.gz JEXAHKJTFDUJKO-UHFFFAOYSA-N 1 0 365.430 2.895 20 5 FFBDRO COC(=O)CCC[NH+]1CCC(NCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000462895856 515287676 /nfs/dbraw/zinc/28/76/76/515287676.db2.gz NLOAEVQZKWZDFI-UHFFFAOYSA-N 1 0 369.849 2.755 20 5 FFBDRO CCC[NH+]1CCC(CNS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)CC1 ZINC000481337812 515295951 /nfs/dbraw/zinc/29/59/51/515295951.db2.gz CMQGICCFOZJPOU-UHFFFAOYSA-N 1 0 369.487 2.612 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)C[C@H]1C ZINC000481388075 515311816 /nfs/dbraw/zinc/31/18/16/515311816.db2.gz CNZRFEKFJSZRIW-HUUCEWRRSA-N 1 0 369.487 2.705 20 5 FFBDRO COc1ccc(NC(=O)CC[NH+]2CCC(C(F)F)CC2)c([N+](=O)[O-])c1 ZINC000486120670 515342413 /nfs/dbraw/zinc/34/24/13/515342413.db2.gz NGRHBOUJUBSNDL-UHFFFAOYSA-N 1 0 357.357 2.909 20 5 FFBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000468468297 515372375 /nfs/dbraw/zinc/37/23/75/515372375.db2.gz QAINQNCICTYZPL-KRWDZBQOSA-N 1 0 371.441 2.631 20 5 FFBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000499658236 515400943 /nfs/dbraw/zinc/40/09/43/515400943.db2.gz LNSWZOGIJCSXPH-MRXNPFEDSA-N 1 0 358.442 2.930 20 5 FFBDRO CNC(=O)N[C@@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000468672724 515462819 /nfs/dbraw/zinc/46/28/19/515462819.db2.gz BTTUPUJJLKTHHM-CYBMUJFWSA-N 1 0 360.439 2.827 20 5 FFBDRO CC(C)O[C@@H]1C[C@@H]([NH2+][C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1(C)C ZINC000463401865 515478160 /nfs/dbraw/zinc/47/81/60/515478160.db2.gz BUSDEFQYHFMRSQ-GVDBMIGSSA-N 1 0 361.442 2.882 20 5 FFBDRO COc1cc(CN2C[C@H](C)[N@H+](C)C[C@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000505627285 515613821 /nfs/dbraw/zinc/61/38/21/515613821.db2.gz BXKANRXTAPVJIS-NWDGAFQWSA-N 1 0 373.400 2.772 20 5 FFBDRO CC[C@@H]1C[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C[C@H]1N1CCOCC1 ZINC000493365546 515625303 /nfs/dbraw/zinc/62/53/03/515625303.db2.gz QUNSEXUJHGFBHA-CXAGYDPISA-N 1 0 353.850 2.791 20 5 FFBDRO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000493443509 515634003 /nfs/dbraw/zinc/63/40/03/515634003.db2.gz SONUSNUPBNTFTP-CHWSQXEVSA-N 1 0 369.849 2.611 20 5 FFBDRO C[C@H]([NH2+][C@H]1CCC[C@@]1(C)CO)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000493526132 515639794 /nfs/dbraw/zinc/63/97/94/515639794.db2.gz MTLGHWFUDHJMBA-FSBGKCOPSA-N 1 0 355.822 2.716 20 5 FFBDRO CC(C)[NH+](CCN(C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)C(C)C ZINC000505821064 515686459 /nfs/dbraw/zinc/68/64/59/515686459.db2.gz VWVUWLJGVGIHHP-OAHLLOKOSA-N 1 0 350.463 2.972 20 5 FFBDRO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1nc2c(s1)CCC2 ZINC000459629533 515707217 /nfs/dbraw/zinc/70/72/17/515707217.db2.gz HAGPKQCTPYIKBE-NWDGAFQWSA-N 1 0 363.439 2.631 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)NCCCC[N@H+](C)C2CC2)cc1SC ZINC000457193164 515715194 /nfs/dbraw/zinc/71/51/94/515715194.db2.gz CMMHAXTUFWUWTI-UHFFFAOYSA-N 1 0 367.471 2.930 20 5 FFBDRO C[C@@H]1[C@H](NC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CCC[N@@H+]1C ZINC000454785931 515743260 /nfs/dbraw/zinc/74/32/60/515743260.db2.gz NDKQJPWBFVVXRU-UWWQBHOKSA-N 1 0 360.458 2.967 20 5 FFBDRO Cc1cc(C)c(S(=O)(=O)NCC(C)(C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000494402114 515832110 /nfs/dbraw/zinc/83/21/10/515832110.db2.gz BTNRKTGIHPXZIE-UHFFFAOYSA-N 1 0 369.487 2.612 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+]C2(C)Cc3ccccc3C2)cc1[N+](=O)[O-] ZINC000473988215 515833180 /nfs/dbraw/zinc/83/31/80/515833180.db2.gz SJFMVZZIJZFPGN-UHFFFAOYSA-N 1 0 370.405 2.794 20 5 FFBDRO C[NH+](C)CCN(Cc1ccccn1)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000500777772 515855639 /nfs/dbraw/zinc/85/56/39/515855639.db2.gz ULJQHMAQVUNTDV-UHFFFAOYSA-N 1 0 367.409 2.675 20 5 FFBDRO CCCN(CC[NH+]1CCCC1)S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000511323075 515864498 /nfs/dbraw/zinc/86/44/98/515864498.db2.gz MQCQHHPPFHBSPZ-UHFFFAOYSA-N 1 0 369.487 2.708 20 5 FFBDRO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000487611991 515921294 /nfs/dbraw/zinc/92/12/94/515921294.db2.gz WVVUPYVDSDYIOF-GFCCVEGCSA-N 1 0 353.369 2.549 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000469741240 515948049 /nfs/dbraw/zinc/94/80/49/515948049.db2.gz GAMFGJHQTPRDTC-KRWDZBQOSA-N 1 0 370.409 2.780 20 5 FFBDRO CO[C@]1(C)C[C@@H]([N@H+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1(C)C ZINC000464819723 515973449 /nfs/dbraw/zinc/97/34/49/515973449.db2.gz BXKBGIFLSRBZND-VQIMIIECSA-N 1 0 361.442 2.619 20 5 FFBDRO Cc1nc2cc(NC(=O)Cc3cc4c(cc3[N+](=O)[O-])OCCO4)ccc2[nH]1 ZINC000465026841 516046429 /nfs/dbraw/zinc/04/64/29/516046429.db2.gz MNSHIIHAXPZOOZ-UHFFFAOYSA-N 1 0 368.349 2.732 20 5 FFBDRO COc1ccc(OCC[N@@H+]2CC[C@@H](C(=O)OC(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000495084348 516059911 /nfs/dbraw/zinc/05/99/11/516059911.db2.gz MEZHHKNKRLEEGX-CYBMUJFWSA-N 1 0 366.414 2.646 20 5 FFBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000511946647 516087804 /nfs/dbraw/zinc/08/78/04/516087804.db2.gz KDIVKJHLYXFCDG-UHFFFAOYSA-N 1 0 362.474 2.901 20 5 FFBDRO NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000470131169 516134701 /nfs/dbraw/zinc/13/47/01/516134701.db2.gz FSCHRMJYMOIHEC-SKDZVZGDSA-N 1 0 355.394 2.941 20 5 FFBDRO C[C@@H](CO)[N@@H+]1CCCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000470135464 516136453 /nfs/dbraw/zinc/13/64/53/516136453.db2.gz UILLMSXRXZVFSG-HNNXBMFYSA-N 1 0 359.426 2.743 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000512118137 516159621 /nfs/dbraw/zinc/15/96/21/516159621.db2.gz GNSNPHMBQWVICG-VXGBXAGGSA-N 1 0 367.833 2.782 20 5 FFBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000470237254 516181099 /nfs/dbraw/zinc/18/10/99/516181099.db2.gz MBGSEIXGSWTCRP-INIZCTEOSA-N 1 0 361.442 2.554 20 5 FFBDRO CC[N@@H+]1CCC[C@H](CNC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000488271828 516182303 /nfs/dbraw/zinc/18/23/03/516182303.db2.gz JMNYVXJYLUBXAQ-CYBMUJFWSA-N 1 0 368.865 2.822 20 5 FFBDRO CC(C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)[N@@H+]1CCc2ccccc2C1 ZINC000501817998 516235252 /nfs/dbraw/zinc/23/52/52/516235252.db2.gz ULDOJFCCZOARNX-GOSISDBHSA-N 1 0 370.453 2.746 20 5 FFBDRO CCn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)cn1 ZINC000488502522 516243110 /nfs/dbraw/zinc/24/31/10/516243110.db2.gz IIZYAPPALXUFHN-CRFBAAHOSA-N 1 0 371.441 2.790 20 5 FFBDRO CC(C)NC(=O)c1ccc(N2CC[N@@H+]([C@H]3C[C@@H]3C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000488716167 516292499 /nfs/dbraw/zinc/29/24/99/516292499.db2.gz QYQXYXXDHYYAHS-VKJFTORMSA-N 1 0 374.485 2.900 20 5 FFBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@H](C)C1 ZINC000488715896 516293118 /nfs/dbraw/zinc/29/31/18/516293118.db2.gz BRBPHCLHAMHVMF-WOSRLPQWSA-N 1 0 357.414 2.811 20 5 FFBDRO COc1ccc(CNC(=O)NCC[N@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000523204239 516407742 /nfs/dbraw/zinc/40/77/42/516407742.db2.gz CYEWJHYQRPCODT-UHFFFAOYSA-N 1 0 372.425 2.535 20 5 FFBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000531340096 516415500 /nfs/dbraw/zinc/41/55/00/516415500.db2.gz YKFRFJUBDVQKPX-HNNXBMFYSA-N 1 0 361.442 2.625 20 5 FFBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000557744248 516415823 /nfs/dbraw/zinc/41/58/23/516415823.db2.gz YKMYWKVSPVBEJY-AWEZNQCLSA-N 1 0 372.425 2.512 20 5 FFBDRO Nc1nccc(C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)c1[N+](=O)[O-] ZINC000547729776 516524989 /nfs/dbraw/zinc/52/49/89/516524989.db2.gz BZBVQWOWHUULPR-UHFFFAOYSA-N 1 0 355.398 2.641 20 5 FFBDRO CC[C@@H]([NH2+][C@H]1CCCN(Cc2nccn2C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000544017197 516541192 /nfs/dbraw/zinc/54/11/92/516541192.db2.gz TWVNPONNMILBJW-SJORKVTESA-N 1 0 371.441 2.560 20 5 FFBDRO CC[NH+](CC)[C@H](C)CNC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000554702332 516594793 /nfs/dbraw/zinc/59/47/93/516594793.db2.gz YMAOLIJNVBVITD-CYBMUJFWSA-N 1 0 361.446 2.648 20 5 FFBDRO Cc1ncc2c(n1)CC[C@H]([NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)C2 ZINC000531691220 516597951 /nfs/dbraw/zinc/59/79/51/516597951.db2.gz MNXWDGGCJFBVPM-WBMJQRKESA-N 1 0 369.425 2.557 20 5 FFBDRO C[C@]1(c2ccccc2)CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000544144006 516611890 /nfs/dbraw/zinc/61/18/90/516611890.db2.gz MEFUQULTKIVYCV-XLIONFOSSA-N 1 0 356.422 2.998 20 5 FFBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@@H](c2nccn2C)C1 ZINC000536068650 516617353 /nfs/dbraw/zinc/61/73/53/516617353.db2.gz JUBXDXLFSWZBIR-TZMCWYRMSA-N 1 0 368.397 2.929 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@@H](C)C[NH+]2CCCCC2)c1 ZINC000540600875 516637474 /nfs/dbraw/zinc/63/74/74/516637474.db2.gz YPJPBAKPRXYNMG-MRXNPFEDSA-N 1 0 363.458 2.910 20 5 FFBDRO C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000540625408 516644745 /nfs/dbraw/zinc/64/47/45/516644745.db2.gz FDZXUHYMWHJCHS-UGSOOPFHSA-N 1 0 355.442 2.568 20 5 FFBDRO C[C@H](C(=O)NCc1ccccc1F)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000554843853 516660753 /nfs/dbraw/zinc/66/07/53/516660753.db2.gz OLXKJJQDPCFOPB-CQSZACIVSA-N 1 0 359.401 2.913 20 5 FFBDRO COc1ccccc1CNC(=O)[C@H](C)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000554846439 516662428 /nfs/dbraw/zinc/66/24/28/516662428.db2.gz WTNCTJGRCWNUJQ-HNNXBMFYSA-N 1 0 371.437 2.783 20 5 FFBDRO Cn1ccnc1[C@H]([NH2+]C[C@H]1CCC[C@@H](CO)C1)c1cccc([N+](=O)[O-])c1 ZINC000558276470 516677353 /nfs/dbraw/zinc/67/73/53/516677353.db2.gz BWYGCYNWOQUFHK-HDMKZQKVSA-N 1 0 358.442 2.806 20 5 FFBDRO COC[C@@H](C)[N@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000554934340 516705360 /nfs/dbraw/zinc/70/53/60/516705360.db2.gz IYWOOXYGUISWJN-SECBINFHSA-N 1 0 364.183 2.666 20 5 FFBDRO COC1CC[NH+](C(C)(C)CNC(=O)c2cc([N+](=O)[O-])c(C)s2)CC1 ZINC000518610713 516722024 /nfs/dbraw/zinc/72/20/24/516722024.db2.gz WDASPPFARVWYPS-UHFFFAOYSA-N 1 0 355.460 2.584 20 5 FFBDRO Cc1c(Br)c(NCC2([NH+](C)C)CCOCC2)ncc1[N+](=O)[O-] ZINC000544393358 516739372 /nfs/dbraw/zinc/73/93/72/516739372.db2.gz KXEMNBFYJSVUAJ-UHFFFAOYSA-N 1 0 373.251 2.583 20 5 FFBDRO Cc1c(Br)c(N2CC[C@@H]([NH+]3CCCC3)C2)ncc1[N+](=O)[O-] ZINC000544393434 516740124 /nfs/dbraw/zinc/74/01/24/516740124.db2.gz ORDYQQFWURPZCY-LLVKDONJSA-N 1 0 355.236 2.735 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000548079953 516749956 /nfs/dbraw/zinc/74/99/56/516749956.db2.gz IIZFRKFZGNGBHX-UHFFFAOYSA-N 1 0 350.419 2.942 20 5 FFBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C[C@@H](C)C1 ZINC000561760646 516754727 /nfs/dbraw/zinc/75/47/27/516754727.db2.gz IGDWIAYLRLJGFQ-AHIWAGSCSA-N 1 0 356.426 2.878 20 5 FFBDRO CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000561782532 516771640 /nfs/dbraw/zinc/77/16/40/516771640.db2.gz NTOSQIOTRGVFSR-IAGOWNOFSA-N 1 0 365.455 2.564 20 5 FFBDRO CCCc1n[nH]c(C(=O)N2CCC[C@@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)c1[N+](=O)[O-] ZINC000524637200 516775815 /nfs/dbraw/zinc/77/58/15/516775815.db2.gz QDOODUOOWSHPIF-HZSPNIEDSA-N 1 0 363.462 2.748 20 5 FFBDRO C[C@H]1CCC[C@@](CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)([NH+](C)C)C1 ZINC000518810953 516784357 /nfs/dbraw/zinc/78/43/57/516784357.db2.gz IRZJEPYJEUGTHS-KPZWWZAWSA-N 1 0 359.430 2.711 20 5 FFBDRO CC(C)(C)[N@@H+]1CCCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000524696776 516792396 /nfs/dbraw/zinc/79/23/96/516792396.db2.gz DUGSWXJWRWEJHU-UHFFFAOYSA-N 1 0 372.425 2.795 20 5 FFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000555231721 516841093 /nfs/dbraw/zinc/84/10/93/516841093.db2.gz YFTVSWTUGQZKKJ-INIZCTEOSA-N 1 0 362.817 2.984 20 5 FFBDRO C[C@H](C(=O)NCCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000519062490 516872032 /nfs/dbraw/zinc/87/20/32/516872032.db2.gz YXEGNPXYDUZUNO-XHSDSOJGSA-N 1 0 363.458 2.704 20 5 FFBDRO Cc1cc(N2CCN(Cc3cnn(C)c3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000541172557 516912103 /nfs/dbraw/zinc/91/21/03/516912103.db2.gz FARJOGJMSBQUMA-UHFFFAOYSA-N 1 0 366.425 2.507 20 5 FFBDRO CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000558859541 516974336 /nfs/dbraw/zinc/97/43/36/516974336.db2.gz DXAXLVDPFUBCAI-INIZCTEOSA-N 1 0 358.446 2.650 20 5 FFBDRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)NCc2cccc([N+](=O)[O-])c2)cc1 ZINC000562294258 517013587 /nfs/dbraw/zinc/01/35/87/517013587.db2.gz VNYULIMYDOEVBB-GOSISDBHSA-N 1 0 372.425 2.706 20 5 FFBDRO C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)C1CC1 ZINC000548501867 517021097 /nfs/dbraw/zinc/02/10/97/517021097.db2.gz LGPSSVOXRRNATK-SFHVURJKSA-N 1 0 354.410 2.630 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N(C)CCC[N@H+](C)Cc1ccncc1 ZINC000552112660 517087112 /nfs/dbraw/zinc/08/71/12/517087112.db2.gz OMZFDVXNDHZSRT-UHFFFAOYSA-N 1 0 372.425 2.593 20 5 FFBDRO C[NH+](C)C1(CNC(=O)c2ccc([N+](=O)[O-])cc2F)Cc2ccccc2C1 ZINC000525608843 517087614 /nfs/dbraw/zinc/08/76/14/517087614.db2.gz NTAQIIPTQDDHET-UHFFFAOYSA-N 1 0 357.385 2.563 20 5 FFBDRO CCC[C@H]1CN(CCn2ccc([N+](=O)[O-])n2)CC[N@@H+]1Cc1ccccc1 ZINC000537221245 517094910 /nfs/dbraw/zinc/09/49/10/517094910.db2.gz RPKQIZSDSNBUKC-SFHVURJKSA-N 1 0 357.458 2.778 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2nc(C[NH2+][C@@H](C3CC3)[C@@]3(CO)CCCO3)co2)cc1 ZINC000555759878 517108384 /nfs/dbraw/zinc/10/83/84/517108384.db2.gz VXKYZCDXYYBUOY-HKUYNNGSSA-N 1 0 373.409 2.660 20 5 FFBDRO COC(=O)[C@@H]1CCCC[C@]1(C)[NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000537273448 517120112 /nfs/dbraw/zinc/12/01/12/517120112.db2.gz JMOHNZSZJFOMPU-UGSOOPFHSA-N 1 0 363.414 2.553 20 5 FFBDRO CC[C@H](CNc1ncc([N+](=O)[O-])c(C)c1Br)[NH+]1CCCC1 ZINC000541590893 517126805 /nfs/dbraw/zinc/12/68/05/517126805.db2.gz SINKBBLISKNCLO-LLVKDONJSA-N 1 0 357.252 2.769 20 5 FFBDRO CCOc1cc(NC(=O)N[C@@H](C)CC[NH+](C)C)c([N+](=O)[O-])cc1OCC ZINC000525738901 517142697 /nfs/dbraw/zinc/14/26/97/517142697.db2.gz OZTRXOHVSNBWIP-LBPRGKRZSA-N 1 0 368.434 2.854 20 5 FFBDRO Cn1ccnc1[C@@H](NC1CC[NH+](CC2CC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000552239915 517157255 /nfs/dbraw/zinc/15/72/55/517157255.db2.gz AJVIZKJVHJDTIC-IBGZPJMESA-N 1 0 369.469 2.882 20 5 FFBDRO COCCNC(=O)[C@H](Cc1ccccc1)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000537451582 517191511 /nfs/dbraw/zinc/19/15/11/517191511.db2.gz GBCNEFMXWCONJF-KXBFYZLASA-N 1 0 371.437 2.619 20 5 FFBDRO COc1ccc(CC[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])cc1OC ZINC000548825375 517236396 /nfs/dbraw/zinc/23/63/96/517236396.db2.gz IBSQDLHYUVDESM-UHFFFAOYSA-N 1 0 373.409 2.773 20 5 FFBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000515240593 517267466 /nfs/dbraw/zinc/26/74/66/517267466.db2.gz PXDIMIBTCPNJKR-QAPCUYQASA-N 1 0 360.458 2.872 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000537628038 517267731 /nfs/dbraw/zinc/26/77/31/517267731.db2.gz BMKMEXAESSCIGY-OAHLLOKOSA-N 1 0 361.442 2.828 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])c(NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)n1 ZINC000541935059 517299447 /nfs/dbraw/zinc/29/94/47/517299447.db2.gz BPAXRBXKUCJQLU-SJORKVTESA-N 1 0 356.426 2.654 20 5 FFBDRO CCc1ccc([C@H](CO)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000541984156 517322153 /nfs/dbraw/zinc/32/21/53/517322153.db2.gz LHCFWMOKEKVROJ-SFHVURJKSA-N 1 0 357.410 2.727 20 5 FFBDRO COC(=O)c1cc(C)nc(NC[C@H](c2ccc(C)cc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000559612958 517341322 /nfs/dbraw/zinc/34/13/22/517341322.db2.gz ALNKUOGLEHBBAT-MRXNPFEDSA-N 1 0 372.425 2.530 20 5 FFBDRO CC[N@@H+](Cc1ccc2c(c1)OCO2)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000520452926 517399944 /nfs/dbraw/zinc/39/99/44/517399944.db2.gz LPKZQRLVHNPPDT-HNNXBMFYSA-N 1 0 374.393 2.585 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000533447572 517468438 /nfs/dbraw/zinc/46/84/38/517468438.db2.gz JQMWOFNZELFBSN-OCCSQVGLSA-N 1 0 368.865 2.991 20 5 FFBDRO Cn1ccnc1[C@@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)c1ccc(Cl)cc1 ZINC000515780115 517473226 /nfs/dbraw/zinc/47/32/26/517473226.db2.gz UZCUFBDUHPUCIK-AWEZNQCLSA-N 1 0 359.773 2.829 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000562975196 517546987 /nfs/dbraw/zinc/54/69/87/517546987.db2.gz HUEGDCLISSETJE-BZNIZROVSA-N 1 0 355.822 2.521 20 5 FFBDRO COCCO[C@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000549411218 517551160 /nfs/dbraw/zinc/55/11/60/517551160.db2.gz ZJGZMEILGREZDS-SFHVURJKSA-N 1 0 374.441 2.623 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CCc1ccc(F)c(F)c1F ZINC000563012723 517582519 /nfs/dbraw/zinc/58/25/19/517582519.db2.gz CGEWYZOAXQOHMM-LBPRGKRZSA-N 1 0 370.327 2.584 20 5 FFBDRO CCCc1n[nH]c(C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000521036524 517586562 /nfs/dbraw/zinc/58/65/62/517586562.db2.gz MENACUXILHPFNY-CYBMUJFWSA-N 1 0 351.451 2.655 20 5 FFBDRO CCC(CC)[C@H](CNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)[NH+]1CCCC1 ZINC000553250849 517602520 /nfs/dbraw/zinc/60/25/20/517602520.db2.gz PYKBMOYJLVXKEO-KRWDZBQOSA-N 1 0 373.457 2.978 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2C[C@H]2C2CCCCC2)cc1 ZINC000516278426 517646885 /nfs/dbraw/zinc/64/68/85/517646885.db2.gz UPTFSVNORADEMM-DLBZAZTESA-N 1 0 352.456 2.927 20 5 FFBDRO C[C@H](O)C[N@@H+]1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)[C@H](C)C1 ZINC000560275423 517672661 /nfs/dbraw/zinc/67/26/61/517672661.db2.gz VBBOPQKRCZQAKQ-CABCVRRESA-N 1 0 359.426 2.742 20 5 FFBDRO C[C@H]1Cc2ccccc2[C@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000542666928 517678140 /nfs/dbraw/zinc/67/81/40/517678140.db2.gz ZTWXIDITPWIGPG-UGSOOPFHSA-N 1 0 360.435 2.892 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N(C)C2CC[NH+](C(C)C)CC2)c1 ZINC000542751380 517715871 /nfs/dbraw/zinc/71/58/71/517715871.db2.gz PKMJTQQZUPXDFC-UHFFFAOYSA-N 1 0 369.487 2.705 20 5 FFBDRO CC[NH+](CC)CCO[C@@H]1CCN(c2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000553484097 517739829 /nfs/dbraw/zinc/73/98/29/517739829.db2.gz GCWWXZTVDISJKL-GFCCVEGCSA-N 1 0 365.459 2.537 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](CO)c1cccc(F)c1 ZINC000542879140 517794313 /nfs/dbraw/zinc/79/43/13/517794313.db2.gz KKGCOOFOYUDCJP-KRWDZBQOSA-N 1 0 361.373 2.694 20 5 FFBDRO CC[C@@H](C)[NH2+][C@@H](CNc1nc(C(=O)OC)ccc1[N+](=O)[O-])c1ccco1 ZINC000553601487 517803814 /nfs/dbraw/zinc/80/38/14/517803814.db2.gz MZUAVZYHZSLOIM-YPMHNXCESA-N 1 0 362.386 2.911 20 5 FFBDRO C[C@@H](C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])Oc1cccc(F)c1 ZINC000521862583 517879004 /nfs/dbraw/zinc/87/90/04/517879004.db2.gz FRFRDNZXNNWNBN-ZFWWWQNUSA-N 1 0 364.373 2.531 20 5 FFBDRO CC(C)(C)[NH+]1CCC(NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000521868388 517881151 /nfs/dbraw/zinc/88/11/51/517881151.db2.gz QGDMUSWFIKMNFD-UHFFFAOYSA-N 1 0 364.446 2.536 20 5 FFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]Cc1cccc(N2CCOCC2)n1 ZINC000521899516 517894597 /nfs/dbraw/zinc/89/45/97/517894597.db2.gz ZJTYKTSMSOWPPT-QGZVFWFLSA-N 1 0 354.410 2.604 20 5 FFBDRO O=[N+]([O-])c1ccc(N[C@H]2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)C2)nc1 ZINC000560729797 517991516 /nfs/dbraw/zinc/99/15/16/517991516.db2.gz OTBMXCOGLQDGPD-HKUYNNGSSA-N 1 0 367.453 2.751 20 5 FFBDRO CCN(CC[NH+]1CCCCCC1)C(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000517160804 518045890 /nfs/dbraw/zinc/04/58/90/518045890.db2.gz KJZMIEUEJOZHFG-UHFFFAOYSA-N 1 0 351.451 2.779 20 5 FFBDRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NCc1c([N+](=O)[O-])ncn1C ZINC000543459307 518102810 /nfs/dbraw/zinc/10/28/10/518102810.db2.gz YYRPNWDDWNOATJ-QMMMGPOBSA-N 1 0 360.340 2.555 20 5 FFBDRO C[C@@H]1CCC[C@H](C)N1CCNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000539860643 518172795 /nfs/dbraw/zinc/17/27/95/518172795.db2.gz OQHOEYUPUFTOHL-PHIMTYICSA-N 1 0 361.489 2.735 20 5 FFBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000535340497 518175405 /nfs/dbraw/zinc/17/54/05/518175405.db2.gz OZKQLBPCLXCCGY-HZPDHXFCSA-N 1 0 362.474 2.805 20 5 FFBDRO C[C@@H](CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[N@@H+]1CCCC[C@H]1C ZINC000535371126 518177030 /nfs/dbraw/zinc/17/70/30/518177030.db2.gz FEGMICBIGZKLSS-KGLIPLIRSA-N 1 0 358.442 2.998 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CCc2ccc3[nH]ccc3c2)c1 ZINC000578500347 518240587 /nfs/dbraw/zinc/24/05/87/518240587.db2.gz XJOWNMFEOQYKTM-KRWDZBQOSA-N 1 0 355.394 2.648 20 5 FFBDRO C[C@H]1C[C@H](N(C)C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)CC[N@@H+]1C ZINC000578569177 518269378 /nfs/dbraw/zinc/26/93/78/518269378.db2.gz MJMZNQQUDIBHSM-DZGCQCFKSA-N 1 0 373.457 2.743 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](O)COc1c(C)cccc1C ZINC000569837372 518318260 /nfs/dbraw/zinc/31/82/60/518318260.db2.gz PGCVZNPYBOYVTE-QGZVFWFLSA-N 1 0 360.410 2.750 20 5 FFBDRO Cc1csc(Sc2ccc(C(=O)N[C@H](C)[C@H](C)[NH3+])cc2[N+](=O)[O-])n1 ZINC000584409473 518327570 /nfs/dbraw/zinc/32/75/70/518327570.db2.gz CXTWDGBEFZHFJP-VHSXEESVSA-N 1 0 366.468 2.976 20 5 FFBDRO COC(=O)COc1cccc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000567061513 518334100 /nfs/dbraw/zinc/33/41/00/518334100.db2.gz YRZUBYKJICJIPR-KRWDZBQOSA-N 1 0 356.378 2.924 20 5 FFBDRO CC[C@@H]1C[N@H+](C)CCN1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000578839241 518395624 /nfs/dbraw/zinc/39/56/24/518395624.db2.gz ZNHOXMMAKWLBRT-GFCCVEGCSA-N 1 0 371.235 2.915 20 5 FFBDRO CC(C)(C)[C@@H]1C[C@@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000572870682 518400190 /nfs/dbraw/zinc/40/01/90/518400190.db2.gz YPRKOQDLIRJWQM-ZQIUZPCESA-N 1 0 352.431 2.518 20 5 FFBDRO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cn2C)CC[N@H+](Cc2ccccc2)C1 ZINC000576082151 518418848 /nfs/dbraw/zinc/41/88/48/518418848.db2.gz CQBICGSREIFXAW-HNNXBMFYSA-N 1 0 356.426 2.527 20 5 FFBDRO Cc1ccc(C[C@@H](C)[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])s1 ZINC000584775332 518471538 /nfs/dbraw/zinc/47/15/38/518471538.db2.gz HTTMHUDZFBSRTM-TZMCWYRMSA-N 1 0 350.440 2.925 20 5 FFBDRO COC(=O)c1ccc(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])s1 ZINC000584775910 518472494 /nfs/dbraw/zinc/47/24/94/518472494.db2.gz WOVAHUOEPQYCMB-UHFFFAOYSA-N 1 0 363.395 2.561 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CC1(Cc2ccccc2)CC1 ZINC000584775970 518472783 /nfs/dbraw/zinc/47/27/83/518472783.db2.gz ZZFUDAMFSFDXNI-KRWDZBQOSA-N 1 0 356.422 2.947 20 5 FFBDRO CC(C)(C)[C@@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000584850578 518508114 /nfs/dbraw/zinc/50/81/14/518508114.db2.gz HOXRPZIKJVGBEN-MRXNPFEDSA-N 1 0 371.441 2.521 20 5 FFBDRO Cc1ccccc1O[C@@H](C)C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000576272462 518512476 /nfs/dbraw/zinc/51/24/76/518512476.db2.gz YWFVUDXSSRSZSJ-RDJZCZTQSA-N 1 0 360.410 2.700 20 5 FFBDRO [NH3+]CCN(Cc1ccc(Cl)cc1-n1cncn1)c1ccccc1[N+](=O)[O-] ZINC000579163288 518548574 /nfs/dbraw/zinc/54/85/74/518548574.db2.gz HIROQKKRNLSBAH-UHFFFAOYSA-N 1 0 372.816 2.794 20 5 FFBDRO O=[N+]([O-])c1ccc(CC[N@H+](Cc2ccccc2)[C@@]2(CO)CCOC2)cc1 ZINC000585718545 518574094 /nfs/dbraw/zinc/57/40/94/518574094.db2.gz KUTUSPJIHIWYPO-HXUWFJFHSA-N 1 0 356.422 2.791 20 5 FFBDRO CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000582081314 518579179 /nfs/dbraw/zinc/57/91/79/518579179.db2.gz APAATHDRIUYROC-KRWDZBQOSA-N 1 0 371.441 2.727 20 5 FFBDRO CN1CCO[C@H]2CC[N@H+](Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)C[C@@H]21 ZINC000585767619 518591326 /nfs/dbraw/zinc/59/13/26/518591326.db2.gz RBFJXEREKWLYBA-HKUYNNGSSA-N 1 0 357.410 2.760 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@@H](CO)C3CCOCC3)cs2)c1 ZINC000570425849 518601647 /nfs/dbraw/zinc/60/16/47/518601647.db2.gz FKPJJBNDPBTLPU-INIZCTEOSA-N 1 0 363.439 2.595 20 5 FFBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000582202868 518635192 /nfs/dbraw/zinc/63/51/92/518635192.db2.gz FWKZBPLNYPXLHM-INIZCTEOSA-N 1 0 373.457 2.792 20 5 FFBDRO CCCN(C(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000570508491 518641669 /nfs/dbraw/zinc/64/16/69/518641669.db2.gz YLZSFWHFLDPDMU-LLVKDONJSA-N 1 0 353.444 2.539 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](O)Cc1cccc(Cl)c1 ZINC000582296046 518685111 /nfs/dbraw/zinc/68/51/11/518685111.db2.gz JVPBIRRNXFHFJX-MRXNPFEDSA-N 1 0 350.802 2.950 20 5 FFBDRO Cc1c(NC(=O)N[C@H](C)C[C@@H](C)[NH3+])cc(Br)cc1[N+](=O)[O-] ZINC000564972755 518721358 /nfs/dbraw/zinc/72/13/58/518721358.db2.gz YQPAIEGGBQWZQR-HTQZYQBOSA-N 1 0 359.224 2.913 20 5 FFBDRO C[C@H](COc1cccc(F)c1)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000570675629 518726945 /nfs/dbraw/zinc/72/69/45/518726945.db2.gz PRYOFAGWJFRLKP-UKRRQHHQSA-N 1 0 364.373 2.531 20 5 FFBDRO Cc1c(NC(=O)[C@@H](C)N2CCC([C@@H]3CC[NH2+]C3)CC2)cccc1[N+](=O)[O-] ZINC000567899813 518775841 /nfs/dbraw/zinc/77/58/41/518775841.db2.gz XZTUVTZILCPDDS-GDBMZVCRSA-N 1 0 360.458 2.552 20 5 FFBDRO CN(C)C(=O)[C@@H](Cc1ccccc1)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000582497530 518783897 /nfs/dbraw/zinc/78/38/97/518783897.db2.gz VLRFESXVXYWSJZ-ZWKOTPCHSA-N 1 0 353.422 2.871 20 5 FFBDRO C[C@@H]1C[NH+](C[C@@H]2CCCN2c2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H](C)O1 ZINC000579674133 518794134 /nfs/dbraw/zinc/79/41/34/518794134.db2.gz JALAYFIFTSGFIH-NFAWXSAZSA-N 1 0 359.430 2.549 20 5 FFBDRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)COc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000588765918 518824492 /nfs/dbraw/zinc/82/44/92/518824492.db2.gz FHGQHOUTKHLRPW-KGLIPLIRSA-N 1 0 361.398 2.812 20 5 FFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000576916394 518825298 /nfs/dbraw/zinc/82/52/98/518825298.db2.gz HZRHULOZHAKEQN-UHFFFAOYSA-N 1 0 370.409 2.796 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000588771277 518826164 /nfs/dbraw/zinc/82/61/64/518826164.db2.gz QVYRHTPJOAYVRA-KBXCAEBGSA-N 1 0 369.421 2.996 20 5 FFBDRO C[C@@]1(NC(=O)COc2ccccc2[N+](=O)[O-])CC[N@H+](Cc2ccccc2)C1 ZINC000568011308 518830515 /nfs/dbraw/zinc/83/05/15/518830515.db2.gz JCOQRJPOQFOKEA-HXUWFJFHSA-N 1 0 369.421 2.754 20 5 FFBDRO CS(=O)(=O)Nc1cccc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000565216883 518846978 /nfs/dbraw/zinc/84/69/78/518846978.db2.gz GFZWXSJTBDAQGL-INIZCTEOSA-N 1 0 361.423 2.743 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[C@]2(CCS(=O)(=O)C2)C1 ZINC000579797979 518854880 /nfs/dbraw/zinc/85/48/80/518854880.db2.gz WECFTDJJZUEZMA-YOEHRIQHSA-N 1 0 352.456 2.865 20 5 FFBDRO O=[N+]([O-])c1cccc(Cl)c1CN1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000570970476 518864175 /nfs/dbraw/zinc/86/41/75/518864175.db2.gz NUXOICTVYPFYNL-UHFFFAOYSA-N 1 0 353.850 2.575 20 5 FFBDRO C[C@@H](O)C[C@H]1CCCC[N@@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000573889416 518883322 /nfs/dbraw/zinc/88/33/22/518883322.db2.gz NKFMSPYWPOVYMF-ZIAGYGMSSA-N 1 0 363.414 2.518 20 5 FFBDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3c(Cl)cccc3[N+](=O)[O-])[C@H]2C1 ZINC000588979418 518887855 /nfs/dbraw/zinc/88/78/55/518887855.db2.gz RSNAEOZNOMPZQB-NOLJZWGESA-N 1 0 351.834 2.985 20 5 FFBDRO O=[N+]([O-])c1cc(N2CC[NH+](C[C@@H]3CCOC3)CC2)ccc1C(F)(F)F ZINC000589113807 518918481 /nfs/dbraw/zinc/91/84/81/518918481.db2.gz SUVRERISPGZPFL-LBPRGKRZSA-N 1 0 359.348 2.772 20 5 FFBDRO O=C(Nc1nncs1)C1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000589195792 518947453 /nfs/dbraw/zinc/94/74/53/518947453.db2.gz MMDPOKQFZLEGST-HYXAFXHYSA-N 1 0 373.438 2.810 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000571176101 518965179 /nfs/dbraw/zinc/96/51/79/518965179.db2.gz ORAHPENWHHDVNW-UHFFFAOYSA-N 1 0 357.410 2.638 20 5 FFBDRO C[C@@H](CN[C@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F)C[NH+]1CCOCC1 ZINC000565485683 518980214 /nfs/dbraw/zinc/98/02/14/518980214.db2.gz FPUTXEYTELGRNG-SWLSCSKDSA-N 1 0 361.364 2.756 20 5 FFBDRO Cc1cccc2c1OC[C@@H]([NH2+]Cc1cc3c(cc1[N+](=O)[O-])OCCO3)C2 ZINC000589327586 518982203 /nfs/dbraw/zinc/98/22/03/518982203.db2.gz YKKLHAIIWGSETI-HNNXBMFYSA-N 1 0 356.378 2.768 20 5 FFBDRO C[NH+](C)CC[C@@H](NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)C(C)(C)C ZINC000577243718 518982697 /nfs/dbraw/zinc/98/26/97/518982697.db2.gz RRGCHKGLPPYSDJ-OAHLLOKOSA-N 1 0 357.401 2.898 20 5 FFBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000582926754 518989895 /nfs/dbraw/zinc/98/98/95/518989895.db2.gz WHJZSBHTRYBSSH-UHFFFAOYSA-N 1 0 361.442 2.879 20 5 FFBDRO O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000589634570 519049006 /nfs/dbraw/zinc/04/90/06/519049006.db2.gz HBZHWONMHYAJBG-GJZGRUSLSA-N 1 0 371.441 2.545 20 5 FFBDRO C[C@@H]1C[C@@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CC[N@@H+]1C ZINC000583057228 519053354 /nfs/dbraw/zinc/05/33/54/519053354.db2.gz LDXZDONIXGXTSP-ZJUUUORDSA-N 1 0 358.345 2.800 20 5 FFBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@H](c3cccnc3)C2)c([N+](=O)[O-])c1 ZINC000583141158 519097302 /nfs/dbraw/zinc/09/73/02/519097302.db2.gz ZMHBITYFKFGQEZ-HNNXBMFYSA-N 1 0 370.409 2.817 20 5 FFBDRO C[C@@H](c1ccccc1)[C@@H]([NH2+]CCCOc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000590000482 519124757 /nfs/dbraw/zinc/12/47/57/519124757.db2.gz GLRAVSGOJCOAEO-KBXCAEBGSA-N 1 0 357.410 2.611 20 5 FFBDRO Cn1c(Sc2nc3c(cc2[N+](=O)[O-])CCCC3)nnc1C1CC[NH2+]CC1 ZINC000583259807 519157189 /nfs/dbraw/zinc/15/71/89/519157189.db2.gz PFRHDBKTWGGPOB-UHFFFAOYSA-N 1 0 374.470 2.615 20 5 FFBDRO Cc1cc(N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000590140276 519160157 /nfs/dbraw/zinc/16/01/57/519160157.db2.gz ODLNOKVGPNXAAQ-GJZGRUSLSA-N 1 0 359.348 2.831 20 5 FFBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000583323303 519188664 /nfs/dbraw/zinc/18/86/64/519188664.db2.gz LJRHKTLYJMQTPN-QWHCGFSZSA-N 1 0 369.874 2.845 20 5 FFBDRO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CC3(CCOCC3)[C@@H]1C1CC1)OCCO2 ZINC000590378487 519211160 /nfs/dbraw/zinc/21/11/60/519211160.db2.gz LNGDHJRXESOTAW-SFHVURJKSA-N 1 0 360.410 2.757 20 5 FFBDRO CC1(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])Cc2ccccc2C1 ZINC000571755241 519258347 /nfs/dbraw/zinc/25/83/47/519258347.db2.gz YUZQCGFTRHTLFK-QGZVFWFLSA-N 1 0 356.422 2.729 20 5 FFBDRO [NH3+][C@H]1CCO[C@@H](C2CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4o3)CC2)C1 ZINC000580645447 519282265 /nfs/dbraw/zinc/28/22/65/519282265.db2.gz DQFNLWKFKZHMDN-WMLDXEAASA-N 1 0 373.409 2.700 20 5 FFBDRO COC(=O)Cc1ccc(N[C@@H]2C[N@H+](C)Cc3ccccc32)c([N+](=O)[O-])c1 ZINC000590695615 519320596 /nfs/dbraw/zinc/32/05/96/519320596.db2.gz ZIVRZATWJWBWNN-QGZVFWFLSA-N 1 0 355.394 2.909 20 5 FFBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000580806920 519366819 /nfs/dbraw/zinc/36/68/19/519366819.db2.gz JLMGXLWGBMBBIT-HNNXBMFYSA-N 1 0 350.463 2.899 20 5 FFBDRO C[C@@H]1CC(CC[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000580829237 519380464 /nfs/dbraw/zinc/38/04/64/519380464.db2.gz FRIIQUHYUXFBEB-CKEIUWERSA-N 1 0 352.431 2.518 20 5 FFBDRO CSc1ccc(CC[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000580829575 519382446 /nfs/dbraw/zinc/38/24/46/519382446.db2.gz QTGXPXHNCWHJCJ-MRXNPFEDSA-N 1 0 362.451 2.889 20 5 FFBDRO Cn1ncc2ccc(C[NH2+][C@H]3CCCC[C@@H]3n3ccc([N+](=O)[O-])n3)cc21 ZINC000569167389 519410473 /nfs/dbraw/zinc/41/04/73/519410473.db2.gz MOCNCBYLSQLSFR-HOTGVXAUSA-N 1 0 354.414 2.952 20 5 FFBDRO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000578127357 519432568 /nfs/dbraw/zinc/43/25/68/519432568.db2.gz PNNYREOOFGHQQK-HNNXBMFYSA-N 1 0 368.231 2.573 20 5 FFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCCOCC(F)(F)F)n1 ZINC000583911463 519494854 /nfs/dbraw/zinc/49/48/54/519494854.db2.gz HGRCRGUNIVWRFL-RYUDHWBXSA-N 1 0 350.341 2.834 20 5 FFBDRO CC(C)[NH2+]C1(CO)CCN(Cc2cc([N+](=O)[O-])ccc2OC(C)C)CC1 ZINC000569375413 519519320 /nfs/dbraw/zinc/51/93/20/519519320.db2.gz QUAGQVZGLVAGSR-UHFFFAOYSA-N 1 0 365.474 2.707 20 5 FFBDRO C[C@H]1CCCC[N@@H+]1CCNc1ccc([N+](=O)[O-])c(N2CCOCC2)c1F ZINC000578378712 519562635 /nfs/dbraw/zinc/56/26/35/519562635.db2.gz NATDIKHUYVSEBY-AWEZNQCLSA-N 1 0 366.437 2.857 20 5 FFBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@H]1CN(c2ccccc2)CCO1 ZINC000584061112 519571625 /nfs/dbraw/zinc/57/16/25/519571625.db2.gz AXZVEDLVPAYKKR-IBGZPJMESA-N 1 0 355.438 2.975 20 5 FFBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000591297472 519579687 /nfs/dbraw/zinc/57/96/87/519579687.db2.gz HVMAFEWBSBEEHC-WPRPVWTQSA-N 1 0 364.299 2.777 20 5 FFBDRO C[C@H](NC(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000599909296 519944456 /nfs/dbraw/zinc/94/44/56/519944456.db2.gz XJSNTVSKPIPCPN-ZKYQVNSYSA-N 1 0 374.363 2.825 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000594420536 519956677 /nfs/dbraw/zinc/95/66/77/519956677.db2.gz WGCQUQRGERUJIA-HOTGVXAUSA-N 1 0 361.442 2.805 20 5 FFBDRO Cc1c(Br)c(N[C@H]2CC[N@H+](CC3CC3)C2)ncc1[N+](=O)[O-] ZINC000612444228 519963000 /nfs/dbraw/zinc/96/30/00/519963000.db2.gz KXMOQVQEKGRADQ-NSHDSACASA-N 1 0 355.236 2.957 20 5 FFBDRO CCN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000599986208 519985306 /nfs/dbraw/zinc/98/53/06/519985306.db2.gz QYZJASKHSWFLQY-UHFFFAOYSA-N 1 0 370.247 2.914 20 5 FFBDRO COc1cncc(/C=C/CC[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)c1 ZINC000602963321 519996740 /nfs/dbraw/zinc/99/67/40/519996740.db2.gz VICQMDZRDWPCEA-NAASZUNDSA-N 1 0 357.410 2.899 20 5 FFBDRO CCOc1ccc([C@H](C)NCc2nc([C@H]3CCCO3)n[nH]2)cc1[N+](=O)[O-] ZINC000594507550 520005648 /nfs/dbraw/zinc/00/56/48/520005648.db2.gz GYGOFISOPBSUBR-XHDPSFHLSA-N 1 0 361.402 2.814 20 5 FFBDRO CO[C@@](C)(CO)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000594512212 520007715 /nfs/dbraw/zinc/00/77/15/520007715.db2.gz VAGJTAPPKGIKBE-MRXNPFEDSA-N 1 0 354.790 2.995 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1CCC[C@H]1[NH+](C)C ZINC000597533667 520086589 /nfs/dbraw/zinc/08/65/89/520086589.db2.gz RNXCLTHFYXQRLD-CYZMBNFOSA-N 1 0 355.822 2.614 20 5 FFBDRO CN(c1ccccc1)c1ccc(C[N@H+](C)[C@@]2(CO)CCOC2)cc1[N+](=O)[O-] ZINC000600179516 520104965 /nfs/dbraw/zinc/10/49/65/520104965.db2.gz YVOGOLNGECVGCY-HXUWFJFHSA-N 1 0 371.437 2.946 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CCc1ccnc2ccccc12 ZINC000594716955 520108622 /nfs/dbraw/zinc/10/86/22/520108622.db2.gz ZESOXNDHFJVGAL-INIZCTEOSA-N 1 0 367.405 2.715 20 5 FFBDRO Cn1ncc(C2CCC2)c1C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000594731094 520118709 /nfs/dbraw/zinc/11/87/09/520118709.db2.gz FJWPIHNYVDPUNY-UHFFFAOYSA-N 1 0 357.414 2.714 20 5 FFBDRO O=C(NCC12CCC[NH+]1CCC2)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000597587668 520121873 /nfs/dbraw/zinc/12/18/73/520121873.db2.gz AZUSUQYEQLUIPR-UHFFFAOYSA-N 1 0 355.341 2.554 20 5 FFBDRO O=C(NCC12CCC[NH+]1CCC2)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000597588815 520123095 /nfs/dbraw/zinc/12/30/95/520123095.db2.gz PWQBTUNQTSNQRC-UHFFFAOYSA-N 1 0 355.341 2.554 20 5 FFBDRO COc1cc(C[NH2+]C[C@H]2C[C@@H](OC)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000600214311 520131690 /nfs/dbraw/zinc/13/16/90/520131690.db2.gz VQYUURHYXSPKTO-KLPPZKSPSA-N 1 0 360.357 2.762 20 5 FFBDRO Cc1ccnc(C[N@@H+]2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)c1 ZINC000616775524 520135178 /nfs/dbraw/zinc/13/51/78/520135178.db2.gz BJBNUCSGSHZGGN-UHFFFAOYSA-N 1 0 366.425 2.887 20 5 FFBDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000608854601 520145376 /nfs/dbraw/zinc/14/53/76/520145376.db2.gz PDLDIRASNZLGGU-LLVKDONJSA-N 1 0 352.410 2.556 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@H]([NH+](C)C)[C@H]1C ZINC000597696061 520180809 /nfs/dbraw/zinc/18/08/09/520180809.db2.gz BCSCZHYBDMHTFN-MDZLAQPJSA-N 1 0 355.822 2.567 20 5 FFBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000597695969 520181029 /nfs/dbraw/zinc/18/10/29/520181029.db2.gz APMYMQSLORNIEM-CABZTGNLSA-N 1 0 356.220 2.522 20 5 FFBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000597700332 520185524 /nfs/dbraw/zinc/18/55/24/520185524.db2.gz MOWYXWNJSMWXQB-CJNGLKHVSA-N 1 0 354.410 2.821 20 5 FFBDRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)C2 ZINC000597711897 520192151 /nfs/dbraw/zinc/19/21/51/520192151.db2.gz XAHRPXAMONRCED-IBGZPJMESA-N 1 0 363.433 2.956 20 5 FFBDRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccc(NC3CC3)c([N+](=O)[O-])c1)C2 ZINC000597715574 520192974 /nfs/dbraw/zinc/19/29/74/520192974.db2.gz MUYOMLQNLVCPIS-LJQANCHMSA-N 1 0 358.442 2.727 20 5 FFBDRO Cn1ccc(C[N@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)cc1=O ZINC000592131313 520206756 /nfs/dbraw/zinc/20/67/56/520206756.db2.gz XGFOFOWGVLEKQC-IYARVYRRSA-N 1 0 371.437 2.599 20 5 FFBDRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000609187728 520223242 /nfs/dbraw/zinc/22/32/42/520223242.db2.gz KPXZIMDNQSRISZ-OAHLLOKOSA-N 1 0 361.398 2.524 20 5 FFBDRO COc1cc(C[NH2+]C/C=C/CO)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000594973503 520236618 /nfs/dbraw/zinc/23/66/18/520236618.db2.gz DGXLIVIKLCRGHH-NSCUHMNNSA-N 1 0 358.394 2.821 20 5 FFBDRO COc1ccc(OCC[NH2+][C@H](C(C)C)C2(CO)CC=CC2)c([N+](=O)[O-])c1 ZINC000592177273 520246807 /nfs/dbraw/zinc/24/68/07/520246807.db2.gz QAOVVVBKFBLFMT-GOSISDBHSA-N 1 0 364.442 2.925 20 5 FFBDRO CC(C)[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C1(CO)CC=CC1 ZINC000592177030 520248035 /nfs/dbraw/zinc/24/80/35/520248035.db2.gz GIYCVIJKKDWQNU-SFHVURJKSA-N 1 0 361.442 2.866 20 5 FFBDRO COc1cc(C[NH2+]C[C@@H]2CCN2Cc2ccccc2)c([N+](=O)[O-])cc1OC ZINC000594998003 520250059 /nfs/dbraw/zinc/25/00/59/520250059.db2.gz DQNJYNRDAWUKIR-KRWDZBQOSA-N 1 0 371.437 2.976 20 5 FFBDRO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)[C@@]12CCCO2 ZINC000595033735 520263565 /nfs/dbraw/zinc/26/35/65/520263565.db2.gz SWKRHAAHPXHFLW-BIMQEMHKSA-N 1 0 350.415 2.981 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]Cc2cnc(C(F)(F)F)nc2)n1 ZINC000595058534 520271584 /nfs/dbraw/zinc/27/15/84/520271584.db2.gz CODOYIOPPXSZND-NWDGAFQWSA-N 1 0 370.335 2.874 20 5 FFBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000600470924 520279082 /nfs/dbraw/zinc/27/90/82/520279082.db2.gz JRBBCIKYCGJDFZ-SFHVURJKSA-N 1 0 360.458 2.920 20 5 FFBDRO O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000600474034 520281934 /nfs/dbraw/zinc/28/19/34/520281934.db2.gz WLUCLYWCQKLLRI-AWEZNQCLSA-N 1 0 354.410 2.890 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000597854442 520283631 /nfs/dbraw/zinc/28/36/31/520283631.db2.gz HWHSYSGVYGTMFG-AWEZNQCLSA-N 1 0 358.442 2.786 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000597859745 520286324 /nfs/dbraw/zinc/28/63/24/520286324.db2.gz GSKKZWASDOBYGT-GFCCVEGCSA-N 1 0 372.425 2.699 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000597861757 520288763 /nfs/dbraw/zinc/28/87/63/520288763.db2.gz WXLBVMSPIWIEJG-CQSZACIVSA-N 1 0 357.414 2.588 20 5 FFBDRO CC[C@H]1CN(C(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000592331944 520339400 /nfs/dbraw/zinc/33/94/00/520339400.db2.gz CWKOYDZYFSTGTI-JQWIXIFHSA-N 1 0 353.444 2.525 20 5 FFBDRO Cn1cnc(CCC[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)n1 ZINC000592373473 520355653 /nfs/dbraw/zinc/35/56/53/520355653.db2.gz SIYKAARQQGXUPP-UHFFFAOYSA-N 1 0 358.427 2.569 20 5 FFBDRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000609549650 520355716 /nfs/dbraw/zinc/35/57/16/520355716.db2.gz GBCDLUBNQNFCCC-STQMWFEESA-N 1 0 372.425 2.841 20 5 FFBDRO COc1ccc(OCC[N@@H+]2CC[C@@H](Cc3ccncc3)C2)c([N+](=O)[O-])c1 ZINC000613178711 520371849 /nfs/dbraw/zinc/37/18/49/520371849.db2.gz WDYATMKAUVBNRW-INIZCTEOSA-N 1 0 357.410 2.942 20 5 FFBDRO COc1cccc(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c1[N+](=O)[O-] ZINC000595256845 520374755 /nfs/dbraw/zinc/37/47/55/520374755.db2.gz VAZLLSMQHGKADT-GDBMZVCRSA-N 1 0 373.384 2.618 20 5 FFBDRO C[C@@H]1CCCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)[C@@H]1CCC[NH3+] ZINC000595257890 520377273 /nfs/dbraw/zinc/37/72/73/520377273.db2.gz BNVVIZPIMLHQLA-GDBMZVCRSA-N 1 0 371.441 2.760 20 5 FFBDRO CCN(C(=O)c1ccc([N+](=O)[O-])cc1Br)[C@H]1CC[N@H+](CC)C1 ZINC000598038255 520387512 /nfs/dbraw/zinc/38/75/12/520387512.db2.gz BOJCAYBNGNGQOW-LBPRGKRZSA-N 1 0 370.247 2.914 20 5 FFBDRO CC[C@@H]1CN(Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000592427618 520388368 /nfs/dbraw/zinc/38/83/68/520388368.db2.gz HWYPGLPDMPHNLI-YPMHNXCESA-N 1 0 373.400 2.807 20 5 FFBDRO Cc1ccc(NC(=O)[C@H](c2ccccc2)N(C)CCC[NH3+])c([N+](=O)[O-])c1 ZINC000592473846 520402690 /nfs/dbraw/zinc/40/26/90/520402690.db2.gz QUWOIYFGWTXRAL-SFHVURJKSA-N 1 0 356.426 2.864 20 5 FFBDRO Cc1c(NC(=O)[C@H](C)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cccc1[N+](=O)[O-] ZINC000592479177 520406711 /nfs/dbraw/zinc/40/67/11/520406711.db2.gz UELHPKXRGZVSIC-UXLLHSPISA-N 1 0 360.458 2.694 20 5 FFBDRO COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000609705265 520411332 /nfs/dbraw/zinc/41/13/32/520411332.db2.gz NEGHAMSYECYZPG-JSGCOSHPSA-N 1 0 369.849 2.611 20 5 FFBDRO CCc1ccc([C@@H](NCC2([NH3+])CCOCC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000600706150 520411608 /nfs/dbraw/zinc/41/16/08/520411608.db2.gz DFEMDKUNFAMDCF-SFHVURJKSA-N 1 0 359.426 2.937 20 5 FFBDRO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)c(C)c2)CC1 ZINC000604045314 520437640 /nfs/dbraw/zinc/43/76/40/520437640.db2.gz NUZXYQJUONBVMZ-UHFFFAOYSA-N 1 0 357.414 2.626 20 5 FFBDRO CC[C@H](NC(=O)c1cnn2c1[C@H](C[NH3+])CCC2)c1cccc([N+](=O)[O-])c1 ZINC000592538540 520448359 /nfs/dbraw/zinc/44/83/59/520448359.db2.gz SYSAHNVNKYAOQU-BBRMVZONSA-N 1 0 357.414 2.509 20 5 FFBDRO COc1ccc(CNC(=O)NCCC[N@@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000604105510 520451845 /nfs/dbraw/zinc/45/18/45/520451845.db2.gz RHBDSDJCXQHXFK-AWEZNQCLSA-N 1 0 364.446 2.667 20 5 FFBDRO O=C(N[C@H]1CC[NH2+]C2(CCC2)C1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000592567203 520458727 /nfs/dbraw/zinc/45/87/27/520458727.db2.gz ALHWWVNHZALNOW-HNNXBMFYSA-N 1 0 358.442 2.600 20 5 FFBDRO COC(=O)c1cc(-c2ccc(C[NH2+]CCN(C)C)cc2)cc([N+](=O)[O-])c1 ZINC000600789114 520469266 /nfs/dbraw/zinc/46/92/66/520469266.db2.gz RAJLSUPIGOTJIH-UHFFFAOYSA-N 1 0 357.410 2.700 20 5 FFBDRO C[NH+](C)[C@H](CNC(=O)COc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000604181946 520472113 /nfs/dbraw/zinc/47/21/13/520472113.db2.gz JPPNHVBIFBTESC-QGZVFWFLSA-N 1 0 361.373 2.532 20 5 FFBDRO COc1ccc(OCC[NH2+][C@H](CO)[C@@H](C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000613389676 520479051 /nfs/dbraw/zinc/47/90/51/520479051.db2.gz JXXYLMXCJKYPHU-WMLDXEAASA-N 1 0 360.410 2.736 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](CO)[C@H](C)c1ccccc1 ZINC000613390144 520480756 /nfs/dbraw/zinc/48/07/56/520480756.db2.gz YVCXWSAZIYNERN-DNVCBOLYSA-N 1 0 371.437 2.986 20 5 FFBDRO C[C@H]1CCCN(c2ccc(C(=O)N[C@@H]3CCC[N@H+](C)C3)cc2[N+](=O)[O-])C1 ZINC000604197929 520480886 /nfs/dbraw/zinc/48/08/86/520480886.db2.gz BTIWOZKUGOMFDK-GOEBONIOSA-N 1 0 360.458 2.655 20 5 FFBDRO CCOC(=O)c1ccnc(NCC[NH+]2[C@H](C)CCC[C@H]2C)c1[N+](=O)[O-] ZINC000609963823 520491081 /nfs/dbraw/zinc/49/10/81/520491081.db2.gz PXQXXWYVIQECFR-CHWSQXEVSA-N 1 0 350.419 2.841 20 5 FFBDRO C[NH2+]C1(CNC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)CCC1 ZINC000600826024 520491209 /nfs/dbraw/zinc/49/12/09/520491209.db2.gz WVAPUWFAENGCTB-HUUCEWRRSA-N 1 0 374.485 2.949 20 5 FFBDRO COc1cc(C(=O)N[C@H](C)C[NH+]2CCC(C)CC2)c([N+](=O)[O-])cc1F ZINC000598261866 520525891 /nfs/dbraw/zinc/52/58/91/520525891.db2.gz HHSUBKCPEYWTQB-GFCCVEGCSA-N 1 0 353.394 2.593 20 5 FFBDRO O=C(CN(C1CC1)C1(CO)CCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000595533100 520531280 /nfs/dbraw/zinc/53/12/80/520531280.db2.gz FXYQDFDLLGGLSJ-UHFFFAOYSA-N 1 0 353.806 2.566 20 5 FFBDRO CCN1CCC([N@@H+]2CCCN(Cc3ccc(F)cc3[N+](=O)[O-])CC2)CC1 ZINC000595545836 520543487 /nfs/dbraw/zinc/54/34/87/520543487.db2.gz KEWNYJAIVIMOSF-UHFFFAOYSA-N 1 0 364.465 2.726 20 5 FFBDRO Cc1ccc(CNC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000610162186 520564266 /nfs/dbraw/zinc/56/42/66/520564266.db2.gz FWMAWSFKENIJMA-HXUWFJFHSA-N 1 0 355.438 2.630 20 5 FFBDRO CCC[N@@H+]1CC[C@H](NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000598341916 520564511 /nfs/dbraw/zinc/56/45/11/520564511.db2.gz IFQMAXHRPLDISZ-LBPRGKRZSA-N 1 0 357.863 2.941 20 5 FFBDRO CCC[N@@H+]1CC[C@H](NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000598342195 520567111 /nfs/dbraw/zinc/56/71/11/520567111.db2.gz JYOGFPYXUUXYFF-ZDUSSCGKSA-N 1 0 355.822 2.618 20 5 FFBDRO CNC(=O)c1ccc(N2CCC(C[NH+]3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000604482946 520575835 /nfs/dbraw/zinc/57/58/35/520575835.db2.gz XBQWNMWBUUUPLN-UHFFFAOYSA-N 1 0 360.458 2.657 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@H](c3cc4ccccc4[nH]3)C2)c1 ZINC000610392186 520663086 /nfs/dbraw/zinc/66/30/86/520663086.db2.gz ALPZMZZSBXXEMV-RDJZCZTQSA-N 1 0 369.425 2.513 20 5 FFBDRO C[NH+](C)CCOc1cccc(NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])c1 ZINC000593032192 520694864 /nfs/dbraw/zinc/69/48/64/520694864.db2.gz LLNQMJQJKWJJHG-UHFFFAOYSA-N 1 0 361.373 2.856 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H](C(C)C)C2(CO)CCC2)c1 ZINC000593032328 520696413 /nfs/dbraw/zinc/69/64/13/520696413.db2.gz XOYSIWOZFZHNFU-INIZCTEOSA-N 1 0 350.415 2.658 20 5 FFBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000595752088 520700018 /nfs/dbraw/zinc/70/00/18/520700018.db2.gz SCEAAYIRRBNOKB-XIKOKIGWSA-N 1 0 358.398 2.943 20 5 FFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCCN(c2cc[nH+]cc2)CC1 ZINC000601250647 520707991 /nfs/dbraw/zinc/70/79/91/520707991.db2.gz MHOUEARDTGHBRM-UHFFFAOYSA-N 1 0 359.361 2.873 20 5 FFBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[NH2+][C@H](C(C)C)C1 ZINC000598574735 520718808 /nfs/dbraw/zinc/71/88/08/520718808.db2.gz STJYGPMKZCWSHR-AWEZNQCLSA-N 1 0 370.247 2.736 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)c1 ZINC000595786562 520723190 /nfs/dbraw/zinc/72/31/90/520723190.db2.gz BIVMLKJVFLPJEQ-WDYCEAGBSA-N 1 0 364.442 2.616 20 5 FFBDRO COC[C@@](C)(CO)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000610518999 520725314 /nfs/dbraw/zinc/72/53/14/520725314.db2.gz PIJUPMKUXDJPRH-MRXNPFEDSA-N 1 0 354.790 2.995 20 5 FFBDRO O=C(C[N@@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000595788974 520726064 /nfs/dbraw/zinc/72/60/64/520726064.db2.gz ORIQCFFAMLUADY-APWZRJJASA-N 1 0 373.453 2.765 20 5 FFBDRO COC(=O)c1ccnc(NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000598596782 520734470 /nfs/dbraw/zinc/73/44/70/520734470.db2.gz TVUFXFNSBKDFIG-CQSZACIVSA-N 1 0 374.397 2.927 20 5 FFBDRO C[C@@H]1C[N@H+](C)[C@H](C)[C@@H](C)N1C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000593189115 520812634 /nfs/dbraw/zinc/81/26/34/520812634.db2.gz IKUCMWTYZNDHMR-GMTAPVOTSA-N 1 0 357.357 2.749 20 5 FFBDRO CNc1ccc(C(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)cc1[N+](=O)[O-] ZINC000595944036 520833590 /nfs/dbraw/zinc/83/35/90/520833590.db2.gz UDGIOONDWCKLKN-QGZVFWFLSA-N 1 0 356.382 2.550 20 5 FFBDRO Cc1cc([N+](=O)[O-])nn1Cc1cccc(-c2nc(C3([NH3+])CCC3)no2)c1 ZINC000593219796 520837195 /nfs/dbraw/zinc/83/71/95/520837195.db2.gz YULCJCKKVDSTAE-UHFFFAOYSA-N 1 0 354.370 2.536 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000601556433 520839533 /nfs/dbraw/zinc/83/95/33/520839533.db2.gz LLRRUBCNYRBQMJ-QMTHXVAHSA-N 1 0 368.231 2.571 20 5 FFBDRO C[C@@H](Nc1ccc(C(=O)N[C@@]2(C)CC[NH2+]C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000595992794 520847632 /nfs/dbraw/zinc/84/76/32/520847632.db2.gz SGXRGHYLIXZSOR-YJYMSZOUSA-N 1 0 369.425 2.645 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N(C)CCOC(C)(C)C ZINC000610859774 520876245 /nfs/dbraw/zinc/87/62/45/520876245.db2.gz MBULQVJOKVPDLZ-LBPRGKRZSA-N 1 0 353.419 2.677 20 5 FFBDRO COc1cccc([C@@H](CNc2cc[nH]c(=O)c2[N+](=O)[O-])[NH+]2CCCC2)c1 ZINC000596059439 520886901 /nfs/dbraw/zinc/88/69/01/520886901.db2.gz HYHCAABPSSAMTF-MRXNPFEDSA-N 1 0 358.398 2.953 20 5 FFBDRO CC(C)[C@H](O)[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000596065122 520890893 /nfs/dbraw/zinc/89/08/93/520890893.db2.gz DSVWOIZWWXHVSH-DBVUQKKJSA-N 1 0 374.437 2.682 20 5 FFBDRO CC(C)c1n[nH]c(C(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000610923693 520906733 /nfs/dbraw/zinc/90/67/33/520906733.db2.gz WOYVWPQHZNKFCR-OAHLLOKOSA-N 1 0 371.441 2.788 20 5 FFBDRO CCC1([NH+]2CCCC2)CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000601744982 520930915 /nfs/dbraw/zinc/93/09/15/520930915.db2.gz OTJTXCPJVAOXJK-UHFFFAOYSA-N 1 0 364.421 2.797 20 5 FFBDRO COC(=O)c1c(Cl)c(N2CC[C@@H](C[NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000596134475 520932356 /nfs/dbraw/zinc/93/23/56/520932356.db2.gz JOTAJAVRYGRZLN-LBPRGKRZSA-N 1 0 367.833 2.957 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCN3CC[C@H](O)C3)o2)c(Cl)c1 ZINC000599018480 520981817 /nfs/dbraw/zinc/98/18/17/520981817.db2.gz JNVZDBBIHJSSSS-ZDUSSCGKSA-N 1 0 365.817 2.664 20 5 FFBDRO O=c1[nH]ccc(N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1[N+](=O)[O-] ZINC000596231184 520984559 /nfs/dbraw/zinc/98/45/59/520984559.db2.gz HBFVQBJEOYLURB-LJQANCHMSA-N 1 0 354.410 2.798 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)nccc2N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000596269471 521001862 /nfs/dbraw/zinc/00/18/62/521001862.db2.gz VNTHFMYOGIFVQB-UHFFFAOYSA-N 1 0 356.426 2.834 20 5 FFBDRO Cc1cc(N[C@H](C)C2CC[NH+](C)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000611132486 521002259 /nfs/dbraw/zinc/00/22/59/521002259.db2.gz VEQHIHDVDLOZFE-CQSZACIVSA-N 1 0 355.442 2.924 20 5 FFBDRO COc1cc(N2CCC([N@@H+]3CCCOCC3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596268947 521003069 /nfs/dbraw/zinc/00/30/69/521003069.db2.gz OFOIBOJJMIXNIS-UHFFFAOYSA-N 1 0 369.849 2.948 20 5 FFBDRO Cn1ccnc1[C@@H](NC[C@H]1CCCC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000599068656 521012811 /nfs/dbraw/zinc/01/28/11/521012811.db2.gz BNBJUDSRHMLNCF-QAPCUYQASA-N 1 0 357.458 2.739 20 5 FFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1CCN1C1CCCC1 ZINC000599072934 521016841 /nfs/dbraw/zinc/01/68/41/521016841.db2.gz COPJPJUHKBHUCF-KDOFPFPSSA-N 1 0 360.458 2.918 20 5 FFBDRO Cn1c(=O)oc2ccc(C[NH2+][C@H]3CCCC[C@H]3n3ccc([N+](=O)[O-])n3)cc21 ZINC000599078627 521019098 /nfs/dbraw/zinc/01/90/98/521019098.db2.gz DNAFALVVGJAYCM-UONOGXRCSA-N 1 0 371.397 2.510 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1NCC1CC[NH+](C3CCOCC3)CC1)CCN2 ZINC000596314513 521022401 /nfs/dbraw/zinc/02/24/01/521022401.db2.gz INXGPLOKCWVWTI-UHFFFAOYSA-N 1 0 360.458 2.866 20 5 FFBDRO CC1(C)C[NH2+]CC[C@@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000601971041 521048620 /nfs/dbraw/zinc/04/86/20/521048620.db2.gz AIKPAHINZRHPDX-LLVKDONJSA-N 1 0 370.247 2.865 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)cc1SC ZINC000601975179 521050459 /nfs/dbraw/zinc/05/04/59/521050459.db2.gz MCAFCTIBJAXCEQ-LLVKDONJSA-N 1 0 367.471 2.833 20 5 FFBDRO CCC1([NH+]2CCOCC2)CCN(c2ccc([N+](=O)[O-])c(C(C)=O)c2)CC1 ZINC000599182797 521074973 /nfs/dbraw/zinc/07/49/73/521074973.db2.gz BQDVEWWVSJGVEP-UHFFFAOYSA-N 1 0 361.442 2.879 20 5 FFBDRO C[C@@H]1CN(C/C=C\c2ccccc2[N+](=O)[O-])CC[C@H]1[NH+]1CCN(C)CC1 ZINC000611275113 521076521 /nfs/dbraw/zinc/07/65/21/521076521.db2.gz DZXSOFJFPAQGJB-OLVPKOTESA-N 1 0 358.486 2.566 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000618465959 521080633 /nfs/dbraw/zinc/08/06/33/521080633.db2.gz AVTHZJIKIBKGNU-MRXNPFEDSA-N 1 0 361.442 2.620 20 5 FFBDRO O=[N+]([O-])c1cc2c(cc1CN1CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C1)OCCO2 ZINC000611287365 521080688 /nfs/dbraw/zinc/08/06/88/521080688.db2.gz ZUDJVJXEWWGKGD-RHSMWYFYSA-N 1 0 373.453 2.815 20 5 FFBDRO Cn1ccnc1[C@@H](N[C@@H]1CC[NH2+]CC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000602019708 521081312 /nfs/dbraw/zinc/08/13/12/521081312.db2.gz GGGXVWHLYIFEHT-WBVHZDCISA-N 1 0 357.458 2.786 20 5 FFBDRO O=C(C[N@@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000611350127 521113701 /nfs/dbraw/zinc/11/37/01/521113701.db2.gz BRTYKDKVHLWBCO-HOTGVXAUSA-N 1 0 373.453 2.623 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(N2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c1 ZINC000611370590 521124383 /nfs/dbraw/zinc/12/43/83/521124383.db2.gz KQBZHIMMTBZIEK-GJZGRUSLSA-N 1 0 363.458 2.929 20 5 FFBDRO CCOC(=O)c1ccnc(NCC2CC[NH+](CC3CC3)CC2)c1[N+](=O)[O-] ZINC000596561672 521131861 /nfs/dbraw/zinc/13/18/61/521131861.db2.gz DPSQMGUOZQBRAX-UHFFFAOYSA-N 1 0 362.430 2.700 20 5 FFBDRO C[NH+](C)CCC[C@@H]1CN(c2c(Br)cccc2[N+](=O)[O-])CCO1 ZINC000596566905 521135519 /nfs/dbraw/zinc/13/55/19/521135519.db2.gz NPYTVWYSNVNZPL-GFCCVEGCSA-N 1 0 372.263 2.904 20 5 FFBDRO COc1cc(C[NH+]2CCC(C(N)=O)(c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000611516464 521197814 /nfs/dbraw/zinc/19/78/14/521197814.db2.gz MPJPTBDYIQHQTL-UHFFFAOYSA-N 1 0 369.421 2.623 20 5 FFBDRO CCc1ccc([C@H](CNc2cc(N)c([N+](=O)[O-])c(CO)c2)[NH+](C)C)cc1 ZINC000611525221 521203267 /nfs/dbraw/zinc/20/32/67/521203267.db2.gz OILOMMNWJACBMY-SFHVURJKSA-N 1 0 358.442 2.947 20 5 FFBDRO CCN(C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)[C@H]1CC[N@H+](C)C1 ZINC000596694856 521227387 /nfs/dbraw/zinc/22/73/87/521227387.db2.gz PDNYRSMBBVDKGZ-NSHDSACASA-N 1 0 358.345 2.754 20 5 FFBDRO CC[NH+](CC)C[C@H](C)NC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599476152 521247354 /nfs/dbraw/zinc/24/73/54/521247354.db2.gz KPNYDUXETAWDFF-JTQLQIEISA-N 1 0 358.236 2.817 20 5 FFBDRO Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)NCC2([NH3+])CCCCC2)c1 ZINC000593899524 521281957 /nfs/dbraw/zinc/28/19/57/521281957.db2.gz ANHRPSSRGUSLHW-UHFFFAOYSA-N 1 0 371.441 2.539 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000593910659 521285590 /nfs/dbraw/zinc/28/55/90/521285590.db2.gz AQYDYARWWLWABZ-MPGHIAIKSA-N 1 0 361.442 2.570 20 5 FFBDRO C[NH+](C)[C@@H](CNc1ncnc2ccc([N+](=O)[O-])cc21)c1ccc(F)cc1 ZINC000611702529 521288080 /nfs/dbraw/zinc/28/80/80/521288080.db2.gz VNILIBURQRFAJB-KRWDZBQOSA-N 1 0 355.373 2.814 20 5 FFBDRO C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)[C@H]1CC[NH3+] ZINC000593914210 521289088 /nfs/dbraw/zinc/28/90/88/521289088.db2.gz AVBKVOYWLZYDOU-YGRLFVJLSA-N 1 0 370.247 2.947 20 5 FFBDRO O=[N+]([O-])c1ccc2ncnc(N3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)c2c1 ZINC000611711664 521293493 /nfs/dbraw/zinc/29/34/93/521293493.db2.gz NMSYUIMKLUPZEA-UGSOOPFHSA-N 1 0 353.426 2.991 20 5 FFBDRO C[C@@H]1C[C@@H](N(C)C(=O)c2c(Br)cccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000599567842 521304957 /nfs/dbraw/zinc/30/49/57/521304957.db2.gz POBTVZMUECJYRO-MNOVXSKESA-N 1 0 370.247 2.912 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000599605460 521327129 /nfs/dbraw/zinc/32/71/29/521327129.db2.gz XBEVCXVCVOHHIH-INIZCTEOSA-N 1 0 362.430 2.526 20 5 FFBDRO CCC[N@H+](CC)CCNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599618798 521335814 /nfs/dbraw/zinc/33/58/14/521335814.db2.gz CNFQQIVEQIKVKH-UHFFFAOYSA-N 1 0 358.236 2.819 20 5 FFBDRO Cc1c(NC(=O)CC[N@@H+]2CCC[C@H]2c2ccc(=O)[nH]n2)cccc1[N+](=O)[O-] ZINC000599642462 521352953 /nfs/dbraw/zinc/35/29/53/521352953.db2.gz VAGMHOWMBUOHKW-INIZCTEOSA-N 1 0 371.397 2.565 20 5 FFBDRO O=C(N1CCC([C@H]2CC[NH2+]C2)CC1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000602490996 521377737 /nfs/dbraw/zinc/37/77/37/521377737.db2.gz MEBUZSHLTQKMIU-INIZCTEOSA-N 1 0 357.454 2.865 20 5 FFBDRO COc1cccc(CC[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1 ZINC000602515799 521391074 /nfs/dbraw/zinc/39/10/74/521391074.db2.gz YCOARIRKRQYJGX-UHFFFAOYSA-N 1 0 356.426 2.800 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@@H](CCO)c3ccccc3)CC2)cn1 ZINC000602550393 521408483 /nfs/dbraw/zinc/40/84/83/521408483.db2.gz CDEHEQOYRWGJJQ-QGZVFWFLSA-N 1 0 370.453 2.714 20 5 FFBDRO C[C@H](Cc1ccc(O)cc1)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602553665 521410553 /nfs/dbraw/zinc/41/05/53/521410553.db2.gz WEELRWYIUZPDEF-CQSZACIVSA-N 1 0 356.426 2.885 20 5 FFBDRO CCC(=O)N1CC[C@@H]([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602566504 521413832 /nfs/dbraw/zinc/41/38/32/521413832.db2.gz DSRIHKPFWNSSSS-MRVPVSSYSA-N 1 0 362.249 2.519 20 5 FFBDRO C[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[C@@H](O)Cc1ccccc1 ZINC000602583166 521423640 /nfs/dbraw/zinc/42/36/40/521423640.db2.gz RBIGIUBMHUZDGV-KXBFYZLASA-N 1 0 370.453 2.540 20 5 FFBDRO Cc1cc(N2CCC([NH2+]CCc3ccc([N+](=O)[O-])cc3)CC2)nc(C)n1 ZINC000602587481 521425766 /nfs/dbraw/zinc/42/57/66/521425766.db2.gz HYQMXJJAWHZUND-UHFFFAOYSA-N 1 0 355.442 2.803 20 5 FFBDRO COCC[C@H](Cc1ccco1)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602609590 521436184 /nfs/dbraw/zinc/43/61/84/521436184.db2.gz QLEIQJWRQJUURR-MRXNPFEDSA-N 1 0 374.441 2.789 20 5 FFBDRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599783613 521471156 /nfs/dbraw/zinc/47/11/56/521471156.db2.gz DYIRNTHITXOIKE-GHMZBOCLSA-N 1 0 356.220 2.570 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H](CO)CC3CCCCC3)CC2)cn1 ZINC000602694803 521484172 /nfs/dbraw/zinc/48/41/72/521484172.db2.gz JXSPOKCIAHDFEE-QGZVFWFLSA-N 1 0 362.474 2.880 20 5 FFBDRO C[NH+]1CCC2(CC1)CN(Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])CCO2 ZINC000602701990 521485891 /nfs/dbraw/zinc/48/58/91/521485891.db2.gz GZGYZZNPCKLXNR-UHFFFAOYSA-N 1 0 373.375 2.910 20 5 FFBDRO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000612121697 521493891 /nfs/dbraw/zinc/49/38/91/521493891.db2.gz LHDBLEULJFWQIL-JHJVBQTASA-N 1 0 362.348 2.997 20 5 FFBDRO Nc1c(NC(=O)NCc2cnc3n2CCCC3)cc(Cl)cc1[N+](=O)[O-] ZINC000597092650 521498679 /nfs/dbraw/zinc/49/86/79/521498679.db2.gz PRSQLBJDCIJJFN-UHFFFAOYSA-N 1 0 364.793 2.685 20 5 FFBDRO C[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597095630 521500636 /nfs/dbraw/zinc/50/06/36/521500636.db2.gz YNAGTOVIENTCMX-JTQLQIEISA-N 1 0 355.826 2.826 20 5 FFBDRO CC1([NH+]2CCCC2)CCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000602733194 521502808 /nfs/dbraw/zinc/50/28/08/521502808.db2.gz KVPJLHXYBBUNBI-UHFFFAOYSA-N 1 0 361.442 2.816 20 5 FFBDRO COC[C@H](C)Oc1ccc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])cc1 ZINC000597126650 521523607 /nfs/dbraw/zinc/52/36/07/521523607.db2.gz GNMWUPMHUORPNJ-HNNXBMFYSA-N 1 0 359.426 2.974 20 5 FFBDRO COc1ccccc1O[C@H]1CCC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602831451 521558248 /nfs/dbraw/zinc/55/82/48/521558248.db2.gz XOMBZEKCWDRYLJ-HNNXBMFYSA-N 1 0 360.414 2.652 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000602835693 521560793 /nfs/dbraw/zinc/56/07/93/521560793.db2.gz CGUNHOJTMXZEQF-DOTOQJQBSA-N 1 0 363.849 2.788 20 5 FFBDRO COc1c(C(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000619437727 521567067 /nfs/dbraw/zinc/56/70/67/521567067.db2.gz QEHVVZGZAGRSFO-INIZCTEOSA-N 1 0 369.421 2.950 20 5 FFBDRO COC(=O)COc1ccc(C[N@@H+]2CCC[C@H](CCF)C2)cc1[N+](=O)[O-] ZINC000597211170 521578564 /nfs/dbraw/zinc/57/85/64/521578564.db2.gz KXGOJCBMMCUZKN-CYBMUJFWSA-N 1 0 354.378 2.718 20 5 FFBDRO CCC[N@@H+]1CC[C@@H](NCc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C1 ZINC000597222721 521582378 /nfs/dbraw/zinc/58/23/78/521582378.db2.gz GFRAWSYMEMXMGA-CYBMUJFWSA-N 1 0 373.400 2.821 20 5 FFBDRO CN(C)c1cc[nH+]c(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000612346747 521585758 /nfs/dbraw/zinc/58/57/58/521585758.db2.gz XBCMGWLPZPLURU-UHFFFAOYSA-N 1 0 369.425 2.911 20 5 FFBDRO COC(=O)[C@H]1C[C@H]([NH2+]Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C1 ZINC000597241010 521592020 /nfs/dbraw/zinc/59/20/20/521592020.db2.gz AWQDNFQZWJPETI-HAQNSBGRSA-N 1 0 360.366 2.905 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+]C[C@@H]2Cc3ccccc32)cc1[N+](=O)[O-] ZINC000616089215 521618944 /nfs/dbraw/zinc/61/89/44/521618944.db2.gz AIYIAVJBFZSOCH-HNNXBMFYSA-N 1 0 356.378 2.576 20 5 FFBDRO CC1(C)CN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC[N@@H+]1CCO ZINC000619527420 521752861 /nfs/dbraw/zinc/75/28/61/521752861.db2.gz OQDNSMGZNCVNKQ-UHFFFAOYSA-N 1 0 374.416 2.689 20 5 FFBDRO O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000619871432 521913052 /nfs/dbraw/zinc/91/30/52/521913052.db2.gz HZPGWDWFHNEMCJ-ZDUSSCGKSA-N 1 0 367.833 2.575 20 5 FFBDRO CC(C)[C@H]1CN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC[NH2+]1 ZINC000621149950 522661809 /nfs/dbraw/zinc/66/18/09/522661809.db2.gz TTWNCHROASXCBW-GOSISDBHSA-N 1 0 363.461 2.611 20 5 FFBDRO CCOC(=O)[C@@H]1CCC[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000026218868 535520906 /nfs/dbraw/zinc/52/09/06/535520906.db2.gz ODJKTBUQEIRPCK-CQSZACIVSA-N 1 0 363.414 2.507 20 5 FFBDRO COc1ccc(NC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)cc1[N+](=O)[O-] ZINC000488587251 561392365 /nfs/dbraw/zinc/39/23/65/561392365.db2.gz YKVCQUJGYXBQNV-UHFFFAOYSA-N 1 0 374.401 2.711 20 5 FFBDRO C[C@H](CNc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1)[N@H+](C)Cc1ccccc1 ZINC000736026168 598676089 /nfs/dbraw/zinc/67/60/89/598676089.db2.gz LUMBTWZFWKPCGL-CYBMUJFWSA-N 1 0 367.413 2.707 20 5 FFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)c1 ZINC000826499370 608505775 /nfs/dbraw/zinc/50/57/75/608505775.db2.gz GLCYULWYKKMNQX-KRWDZBQOSA-N 1 0 350.382 2.942 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]Cc1cc(-c2nn[nH]n2)cs1 ZINC000826497718 609347212 /nfs/dbraw/zinc/34/72/12/609347212.db2.gz RJPCSQBXCBDROH-UHFFFAOYSA-N 1 0 364.818 2.822 20 5 FFBDRO Nc1cc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)ncc1[N+](=O)[O-] ZINC001164627835 719084001 /nfs/dbraw/zinc/08/40/01/719084001.db2.gz RBRFFDBINKJHQH-QAPCUYQASA-N 1 0 353.426 2.673 20 5 FFBDRO C[N@@H+]1CCO[C@H]2CN(c3ccc4ccc5ccc(Cl)nc5c4n3)C[C@@H]21 ZINC001164671916 719396088 /nfs/dbraw/zinc/39/60/88/719396088.db2.gz ZWAGWDILYQGQTP-GJZGRUSLSA-N 1 0 354.841 2.956 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)nc(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)c1 ZINC001164724903 720331496 /nfs/dbraw/zinc/33/14/96/720331496.db2.gz LOYQWGLQOKCXDV-GJZGRUSLSA-N 1 0 359.817 2.891 20 5 FFBDRO Cc1cc(S(=O)(=O)NCCC[N@H+]2CCCC[C@H]2C)cc([N+](=O)[O-])c1F ZINC000154236993 728799339 /nfs/dbraw/zinc/79/93/39/728799339.db2.gz ASHPAAAQZVNIRZ-CYBMUJFWSA-N 1 0 373.450 2.585 20 5 FFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCOC1CCSCC1 ZINC000898439675 735361218 /nfs/dbraw/zinc/36/12/18/735361218.db2.gz KUHJIXAUHDTPFK-CYBMUJFWSA-N 1 0 367.471 2.814 20 5 FFBDRO Cc1c(Br)cc(C(=O)N2CC([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000898607864 735388440 /nfs/dbraw/zinc/38/84/40/735388440.db2.gz CYORESOEFUKBFQ-UHFFFAOYSA-N 1 0 368.231 2.586 20 5 FFBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H]2COc2ccc(Cl)cc2)c1 ZINC000746656305 735502086 /nfs/dbraw/zinc/50/20/86/735502086.db2.gz XHKWGWIDMDDQKH-AWEZNQCLSA-N 1 0 350.806 2.988 20 5 FFBDRO COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000746662692 735502526 /nfs/dbraw/zinc/50/25/26/735502526.db2.gz GCTGOXKVZJOOGE-OLZOCXBDSA-N 1 0 369.849 2.611 20 5 FFBDRO O=[N+]([O-])c1ccc(NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c(Br)c1 ZINC000091672575 728461104 /nfs/dbraw/zinc/46/11/04/728461104.db2.gz BMPJQSJHTCPVEQ-NEPJUHHUSA-N 1 0 356.220 2.632 20 5 FFBDRO C[NH+](C)CCN(Cc1ccccn1)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134871848 728733557 /nfs/dbraw/zinc/73/35/57/728733557.db2.gz LMKVATCEPMBHDQ-UHFFFAOYSA-N 1 0 362.817 2.847 20 5 FFBDRO C[N@@H+]1CCC[C@H]2CN(CC(=O)Nc3cc(Cl)ccc3[N+](=O)[O-])CC[C@@H]21 ZINC000139877140 728741357 /nfs/dbraw/zinc/74/13/57/728741357.db2.gz FOAXGAVVTZMTKH-WFASDCNBSA-N 1 0 366.849 2.603 20 5 FFBDRO C[C@H]([NH3+])C1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000165887961 728974984 /nfs/dbraw/zinc/97/49/84/728974984.db2.gz BGPRUIWSEMJHQM-VIFPVBQESA-N 1 0 356.220 2.557 20 5 FFBDRO C[C@H](CNC(=O)OC(C)(C)C)[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000171955011 729016084 /nfs/dbraw/zinc/01/60/84/729016084.db2.gz AIUKMNUSBYCFJD-CYBMUJFWSA-N 1 0 353.419 2.819 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CC2C[C@H]3CC[C@@H](C2)S3)c1 ZINC000905507414 736348147 /nfs/dbraw/zinc/34/81/47/736348147.db2.gz BLIXPCCCCSVFER-OLZSVQGGSA-N 1 0 352.456 2.598 20 5 FFBDRO CCO[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000759172969 736552806 /nfs/dbraw/zinc/55/28/06/736552806.db2.gz KRRQKJDJVRBZFK-JSGCOSHPSA-N 1 0 359.220 2.641 20 5 FFBDRO CS[C@H]1CN(c2cccc(Br)c2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000856737557 730352501 /nfs/dbraw/zinc/35/25/01/730352501.db2.gz HGJBBZPNIUDGKD-NEPJUHHUSA-N 1 0 360.277 2.839 20 5 FFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1COC(=O)CN(C)[C@H]1CCSC1 ZINC000767113306 737293118 /nfs/dbraw/zinc/29/31/18/737293118.db2.gz VAUSELCQXQVKCP-HNNXBMFYSA-N 1 0 368.455 2.863 20 5 FFBDRO C[NH+](C)[C@@H](CNC(=O)Cc1cccc(F)c1[N+](=O)[O-])c1cccs1 ZINC000864515056 730855480 /nfs/dbraw/zinc/85/54/80/730855480.db2.gz FNCPOGSXOAQFJP-ZDUSSCGKSA-N 1 0 351.403 2.757 20 5 FFBDRO CC[NH+](CC)CC1CCN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000865045722 730905851 /nfs/dbraw/zinc/90/58/51/730905851.db2.gz GZDHBESSFVVOPW-UHFFFAOYSA-N 1 0 351.422 2.857 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCC([NH+]2CCN(C)CC2)CC1 ZINC000866213355 731041308 /nfs/dbraw/zinc/04/13/08/731041308.db2.gz POPMUJJUTMTBCL-UHFFFAOYSA-N 1 0 352.866 2.773 20 5 FFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CCOC2(CCOCC2)C1 ZINC000866307999 731048108 /nfs/dbraw/zinc/04/81/08/731048108.db2.gz OCZFYLAWSNAGGS-XJKSGUPXSA-N 1 0 352.406 2.983 20 5 FFBDRO CCC[NH+]1CCC(N(C)S(=O)(=O)c2cc(F)c(C)cc2[N+](=O)[O-])CC1 ZINC000866591388 731078351 /nfs/dbraw/zinc/07/83/51/731078351.db2.gz CTEVNUNWMROJAY-UHFFFAOYSA-N 1 0 373.450 2.537 20 5 FFBDRO O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000868145101 731263280 /nfs/dbraw/zinc/26/32/80/731263280.db2.gz JSMPWOQGODZHFD-DGCLKSJQSA-N 1 0 358.320 2.972 20 5 FFBDRO COCCN(CC1CC[NH+](C)CC1)C(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000869762076 731436942 /nfs/dbraw/zinc/43/69/42/731436942.db2.gz BQCZBOLZUQFAPK-UHFFFAOYSA-N 1 0 369.849 2.679 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000873168670 731883821 /nfs/dbraw/zinc/88/38/21/731883821.db2.gz DVHZTANQRRMSJW-GOOCMWNKSA-N 1 0 352.456 2.657 20 5 FFBDRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000874832571 732105147 /nfs/dbraw/zinc/10/51/47/732105147.db2.gz FXRPAPWJXNNTGN-OLZOCXBDSA-N 1 0 355.341 2.505 20 5 FFBDRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000874837188 732106015 /nfs/dbraw/zinc/10/60/15/732106015.db2.gz IZUFOJFYQPPDAK-OLZOCXBDSA-N 1 0 368.231 2.666 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000878174960 732493792 /nfs/dbraw/zinc/49/37/92/732493792.db2.gz VPFNSNXRVBUXTM-ZIAGYGMSSA-N 1 0 350.444 2.749 20 5 FFBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H](O)c1cc(Br)no1 ZINC000878598232 732562235 /nfs/dbraw/zinc/56/22/35/732562235.db2.gz AKAMYLXXSGSFRB-GFCCVEGCSA-N 1 0 370.203 2.553 20 5 FFBDRO O=C(CC[N@@H+]1CC[C@@H]2CSC[C@@H]2C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000879566780 732725006 /nfs/dbraw/zinc/72/50/06/732725006.db2.gz YGUVBIMCLFDJEP-NEPJUHHUSA-N 1 0 353.419 2.747 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000879670764 732748180 /nfs/dbraw/zinc/74/81/80/732748180.db2.gz CCVVLKVVVDJWFI-JHJVBQTASA-N 1 0 360.332 2.821 20 5 FFBDRO O=[N+]([O-])c1cc(CN2CCC[C@@H]([NH2+]C3CCOCC3)C2)ccc1Cl ZINC000880204055 732865019 /nfs/dbraw/zinc/86/50/19/732865019.db2.gz QXJQTQZWWWVYIR-OAHLLOKOSA-N 1 0 353.850 2.981 20 5 FFBDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000881466475 733058419 /nfs/dbraw/zinc/05/84/19/733058419.db2.gz XIRIIRASFGQBJF-NWDGAFQWSA-N 1 0 368.231 2.666 20 5 FFBDRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000881466474 733058449 /nfs/dbraw/zinc/05/84/49/733058449.db2.gz XIRIIRASFGQBJF-NEPJUHHUSA-N 1 0 368.231 2.666 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000881468900 733058677 /nfs/dbraw/zinc/05/86/77/733058677.db2.gz HWQZUESTIXLZQM-CYBMUJFWSA-N 1 0 367.833 2.621 20 5 FFBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)S2(=O)=O)C1CC1 ZINC000927041957 738685052 /nfs/dbraw/zinc/68/50/52/738685052.db2.gz SRCQOBFRFMMNOA-NPYXIHBLSA-N 1 0 364.467 2.614 20 5 FFBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1C[C@H](O)C12CCOCC2 ZINC000927155773 738698113 /nfs/dbraw/zinc/69/81/13/738698113.db2.gz XJBQTCNMHFZXIR-UVBJJODRSA-N 1 0 352.456 2.897 20 5 FFBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]C[C@H](CO)Cc2ccoc2)c1 ZINC000883269787 733357260 /nfs/dbraw/zinc/35/72/60/733357260.db2.gz WVWMIMVOVMDWFN-GFCCVEGCSA-N 1 0 356.325 2.730 20 5 FFBDRO COC[C@H]([NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000883295405 733361489 /nfs/dbraw/zinc/36/14/89/733361489.db2.gz HLAAGDFHPUJXTA-OCCSQVGLSA-N 1 0 373.247 2.889 20 5 FFBDRO Cc1ccsc1[C@@H](CO)[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000782550902 738733122 /nfs/dbraw/zinc/73/31/22/738733122.db2.gz RVLMAAWDYNPUDB-CQSZACIVSA-N 1 0 367.402 2.756 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@H](CO)C[C@@H]3CCCO3)cs2)c1 ZINC000886228668 733762553 /nfs/dbraw/zinc/76/25/53/733762553.db2.gz DGPXMADHSNHZBC-BBRMVZONSA-N 1 0 363.439 2.738 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H]1CC[C@]2(CO[C@@H](C)C2)O1 ZINC000886768943 733829501 /nfs/dbraw/zinc/82/95/01/733829501.db2.gz LUDFCKACIPBJKB-ATZCPQFDSA-N 1 0 350.415 2.981 20 5 FFBDRO CC(C)(C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12)c1ccccc1[N+](=O)[O-] ZINC000928079378 738817059 /nfs/dbraw/zinc/81/70/59/738817059.db2.gz IOMJWIRWDDRDDB-HOCLYGCPSA-N 1 0 363.483 2.568 20 5 FFBDRO C[C@@]1(NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C[NH+]2CCC1CC2 ZINC000892769236 734601353 /nfs/dbraw/zinc/60/13/53/734601353.db2.gz JIGXGLIJLCTUGU-OAHLLOKOSA-N 1 0 357.332 2.828 20 5 FFBDRO C[C@]1(NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C[NH+]2CCC1CC2 ZINC000892769234 734601383 /nfs/dbraw/zinc/60/13/83/734601383.db2.gz JIGXGLIJLCTUGU-HNNXBMFYSA-N 1 0 357.332 2.828 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C[C@@H]1CCC2(CCOCC2)[C@H]1O ZINC000894277772 734829476 /nfs/dbraw/zinc/82/94/76/734829476.db2.gz MSPWVOJSUFPDHX-BBRMVZONSA-N 1 0 354.834 2.906 20 5 FFBDRO CC[C@@](C)([NH3+])c1cn(Cc2cc([N+](=O)[O-])ccc2Br)nn1 ZINC000900595797 735666410 /nfs/dbraw/zinc/66/64/10/735666410.db2.gz PSJCLOJBJZESOI-CYBMUJFWSA-N 1 0 354.208 2.581 20 5 FFBDRO CC[NH+](CC)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000748841411 735676266 /nfs/dbraw/zinc/67/62/66/735676266.db2.gz PJAQUVVIJMOKSV-SNVBAGLBSA-N 1 0 352.391 2.580 20 5 FFBDRO CC1(C)CC[N@H+](CCNC(=O)c2cccc([N+](=O)[O-])c2Br)C1 ZINC000900828364 735702152 /nfs/dbraw/zinc/70/21/52/735702152.db2.gz MEWCRFWEFXGOGT-UHFFFAOYSA-N 1 0 370.247 2.819 20 5 FFBDRO CC(C)[NH+]1CCC(N(C)CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000749393857 735719644 /nfs/dbraw/zinc/71/96/44/735719644.db2.gz KUHBAEVKSOZUJZ-UHFFFAOYSA-N 1 0 368.865 2.991 20 5 FFBDRO O=C(C[N@@H+]1CCC[C@H]([C@@H]2CCOC2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000749561900 735731571 /nfs/dbraw/zinc/73/15/71/735731571.db2.gz QOYJDUBXPUOMQY-QWHCGFSZSA-N 1 0 367.833 2.935 20 5 FFBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C1 ZINC000901135548 735747834 /nfs/dbraw/zinc/74/78/34/735747834.db2.gz ODPGEFWEANLYOW-MFKMUULPSA-N 1 0 355.797 2.944 20 5 FFBDRO C[C@H]([NH2+]CCNC(=O)c1ccccc1Cl)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788639473 739266892 /nfs/dbraw/zinc/26/68/92/739266892.db2.gz OVMMAUWWQDHWGI-NSHDSACASA-N 1 0 362.817 2.911 20 5 FFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC1CCC(S(C)(=O)=O)CC1 ZINC000903149532 736041253 /nfs/dbraw/zinc/04/12/53/736041253.db2.gz FFBXGTQDJWPTRK-FUJMWEONSA-N 1 0 372.462 2.858 20 5 FFBDRO C[C@@H]([NH2+]CC1CCC(S(C)(=O)=O)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000903150781 736042577 /nfs/dbraw/zinc/04/25/77/736042577.db2.gz WACISGJCYQLZMW-PNESKVBLSA-N 1 0 358.435 2.988 20 5 FFBDRO COc1cc([C@@H](C)[NH2+]C[C@@H]2CC3(CO2)CCOCC3)cc([N+](=O)[O-])c1 ZINC000903212137 736055842 /nfs/dbraw/zinc/05/58/42/736055842.db2.gz KILYREXCCFVDPC-DYVFJYSZSA-N 1 0 350.415 2.840 20 5 FFBDRO COc1cc([C@H](C)[NH2+]CC2CCC(S(C)(=O)=O)CC2)cc([N+](=O)[O-])c1 ZINC000903218599 736057382 /nfs/dbraw/zinc/05/73/82/736057382.db2.gz CAYCXSTYSHRECI-POZPTJLLSA-N 1 0 370.471 2.857 20 5 FFBDRO COc1cc([C@H](C)[NH2+]C[C@@H](O)C(F)(F)C(F)(F)F)cc([N+](=O)[O-])c1 ZINC000903222009 736058535 /nfs/dbraw/zinc/05/85/35/736058535.db2.gz WGJHYPPWXDIULA-WRWORJQWSA-N 1 0 358.263 2.813 20 5 FFBDRO Cc1c([C@@H](C)[NH2+]CC2(O)CCC3(CC2)OCCO3)cccc1[N+](=O)[O-] ZINC000903374574 736084765 /nfs/dbraw/zinc/08/47/65/736084765.db2.gz LHNFYVYOBOCONN-CQSZACIVSA-N 1 0 350.415 2.602 20 5 FFBDRO COc1c(Cl)cccc1C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000905644250 736375290 /nfs/dbraw/zinc/37/52/90/736375290.db2.gz OWXNGPPJPDPGJF-ZDUSSCGKSA-N 1 0 366.801 2.786 20 5 FFBDRO CC1(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CCC2(CC1)OCCO2 ZINC000905655202 736377014 /nfs/dbraw/zinc/37/70/14/736377014.db2.gz BGPGNZVPNJUZKV-INIZCTEOSA-N 1 0 350.415 2.541 20 5 FFBDRO CC1(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCC2(CC1)OCCO2 ZINC000905655901 736377411 /nfs/dbraw/zinc/37/74/11/736377411.db2.gz JIZMLHGBTSFEQG-MRXNPFEDSA-N 1 0 350.415 2.541 20 5 FFBDRO C[N@@H+]1CC[C@@](O)(CNc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000762815748 736870118 /nfs/dbraw/zinc/87/01/18/736870118.db2.gz IHDBYMGQGJCWAE-GFCCVEGCSA-N 1 0 353.728 2.746 20 5 FFBDRO CC[N@@H+]1CCCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000910282767 737052594 /nfs/dbraw/zinc/05/25/94/737052594.db2.gz HZMYEFLEHIEHQK-NSHDSACASA-N 1 0 370.247 2.914 20 5 FFBDRO COc1cc(COC(=O)[C@H](C(C)C)[NH+]2CCCC2)c([N+](=O)[O-])cc1F ZINC000766205880 737206942 /nfs/dbraw/zinc/20/69/42/737206942.db2.gz FVBXQXJPPFMWJV-INIZCTEOSA-N 1 0 354.378 2.906 20 5 FFBDRO O=C(NCc1cccc([N+](=O)[O-])c1)c1cnc(CC2CC[NH2+]CC2)s1 ZINC000912262424 737285114 /nfs/dbraw/zinc/28/51/14/737285114.db2.gz VLIKFMPVGWIAQJ-UHFFFAOYSA-N 1 0 360.439 2.523 20 5 FFBDRO C[C@]1(NC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)C[NH+]2CCC1CC2 ZINC000912375164 737297393 /nfs/dbraw/zinc/29/73/93/737297393.db2.gz TTXXHQCZGNWZLF-KRWDZBQOSA-N 1 0 351.834 2.781 20 5 FFBDRO C[C@@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000912805140 737342100 /nfs/dbraw/zinc/34/21/00/737342100.db2.gz JELSKUKJEFYCFA-BBRMVZONSA-N 1 0 351.422 2.855 20 5 FFBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CCC([NH+]2CCC2)CC1 ZINC000912878853 737352572 /nfs/dbraw/zinc/35/25/72/737352572.db2.gz DXNHAWRKONFDNG-UHFFFAOYSA-N 1 0 367.833 2.714 20 5 FFBDRO CC(C)[C@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[NH+]1CCC(C)CC1 ZINC000915221699 737616490 /nfs/dbraw/zinc/61/64/90/737616490.db2.gz HQFNXFRHGLIUOU-KRWDZBQOSA-N 1 0 369.487 2.630 20 5 FFBDRO C[N@@H+]1CC[C@@]2(CCN(Cc3c(Br)cccc3[N+](=O)[O-])C2)C1 ZINC000814178253 741801288 /nfs/dbraw/zinc/80/12/88/741801288.db2.gz JAQRIZYRGWCTNL-OAHLLOKOSA-N 1 0 354.248 2.885 20 5 FFBDRO COC(=O)c1cnc(CC[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)s1 ZINC000922834155 738207199 /nfs/dbraw/zinc/20/71/99/738207199.db2.gz IEZHJIOUGOPJLJ-UHFFFAOYSA-N 1 0 355.803 2.824 20 5 FFBDRO C[C@@H](NC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12)c1ccccc1[N+](=O)[O-] ZINC000923982872 738352770 /nfs/dbraw/zinc/35/27/70/738352770.db2.gz IYJPYGBXHDGTAL-IVMMDQJWSA-N 1 0 364.471 2.535 20 5 FFBDRO C[NH+](C)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N)c1ccc(Cl)cc1 ZINC000787106943 739104752 /nfs/dbraw/zinc/10/47/52/739104752.db2.gz JBWIKHORMGEUKI-MRXNPFEDSA-N 1 0 362.817 2.863 20 5 FFBDRO O=[N+]([O-])c1ccc(Cl)c(CN2CCC([N@@H+]3CCCOCC3)CC2)c1 ZINC000931288840 739238690 /nfs/dbraw/zinc/23/86/90/739238690.db2.gz VQUWUILJMAPTCE-UHFFFAOYSA-N 1 0 353.850 2.935 20 5 FFBDRO C[C@](O)(C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)c1cccs1 ZINC000788436216 739244950 /nfs/dbraw/zinc/24/49/50/739244950.db2.gz KLFRWJQSWFJQJE-WWGRRREGSA-N 1 0 350.444 2.834 20 5 FFBDRO C[C@H]([NH2+]CC(C)(C)N1C[C@@H](C)O[C@H](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788503068 739251485 /nfs/dbraw/zinc/25/14/85/739251485.db2.gz CJBMCAUMPVDODY-MCIONIFRSA-N 1 0 350.463 2.715 20 5 FFBDRO C[C@]1([C@@H]2CCC[N@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)C2)COC(=O)N1 ZINC000932020674 739374546 /nfs/dbraw/zinc/37/45/46/739374546.db2.gz KJFLLGVDUBFLBL-MLGOLLRUSA-N 1 0 353.806 2.959 20 5 FFBDRO C[NH+](C)Cc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1 ZINC000789737434 739383837 /nfs/dbraw/zinc/38/38/37/739383837.db2.gz MMKNGQCTSDTJIT-UHFFFAOYSA-N 1 0 353.375 2.596 20 5 FFBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000791058701 739527322 /nfs/dbraw/zinc/52/73/22/739527322.db2.gz DZQVKOFIAULKQB-CQSZACIVSA-N 1 0 355.385 2.923 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)[C@@H](C)C1 ZINC000933437411 739625088 /nfs/dbraw/zinc/62/50/88/739625088.db2.gz CJRZSJOAEAPYBI-JOYOIKCWSA-N 1 0 372.828 2.772 20 5 FFBDRO O=[N+]([O-])c1cccc(Br)c1C[NH2+][C@@H]1CCOC12CCOCC2 ZINC000934399858 739781450 /nfs/dbraw/zinc/78/14/50/739781450.db2.gz PUMZPRFFHFNRFB-CQSZACIVSA-N 1 0 371.231 2.785 20 5 FFBDRO CSC1(CNC(=O)CCc2cc(F)ccc2[N+](=O)[O-])CC[NH+](C)CC1 ZINC000936042290 740049865 /nfs/dbraw/zinc/04/98/65/740049865.db2.gz LQQFAKXEYDIEPW-UHFFFAOYSA-N 1 0 369.462 2.610 20 5 FFBDRO COC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000796009446 740089707 /nfs/dbraw/zinc/08/97/07/740089707.db2.gz CXIGYIQTSUZJQV-WDEREUQCSA-N 1 0 357.357 2.830 20 5 FFBDRO CN(CCC[NH+]1CCCC1)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000798435697 740331726 /nfs/dbraw/zinc/33/17/26/740331726.db2.gz ACEJZMCKUMHREH-UHFFFAOYSA-N 1 0 354.838 2.876 20 5 FFBDRO O=C(OCCC[NH+]1CCCCC1)c1cc(Br)ncc1[N+](=O)[O-] ZINC000800192991 740499281 /nfs/dbraw/zinc/49/92/81/740499281.db2.gz JFNZDYRXZHFUOZ-UHFFFAOYSA-N 1 0 372.219 2.785 20 5 FFBDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3ccc(Cl)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000808447405 741226566 /nfs/dbraw/zinc/22/65/66/741226566.db2.gz PXNIZXLHBXGYCE-LZWOXQAQSA-N 1 0 351.834 2.985 20 5 FFBDRO CC(C)(CO)[NH+]1CCN(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000809962886 741367089 /nfs/dbraw/zinc/36/70/89/741367089.db2.gz MMCXWPNACROBKW-UHFFFAOYSA-N 1 0 362.257 2.790 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)OCCOc2cccc([N+](=O)[O-])c2)C1 ZINC000811445907 741522755 /nfs/dbraw/zinc/52/27/55/741522755.db2.gz AVMGCCKQJGZOOQ-KRWDZBQOSA-N 1 0 354.378 2.729 20 5 FFBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNCCC[NH+]1CCC(O)CC1 ZINC000811476302 741527509 /nfs/dbraw/zinc/52/75/09/741527509.db2.gz RTEHFMAUICIKKR-UHFFFAOYSA-N 1 0 362.257 2.838 20 5 FFBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000820502957 742512204 /nfs/dbraw/zinc/51/22/04/742512204.db2.gz DCYLURQUBBDCEG-KWQFWETISA-N 1 0 374.210 2.661 20 5 FFBDRO O=C(N[C@H]1CC[C@H]([NH2+]Cc2ccc(Cl)s2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001034642983 742927324 /nfs/dbraw/zinc/92/73/24/742927324.db2.gz IHQKEXDPBKLJBH-FPQZTECRSA-N 1 0 357.863 2.584 20 5 FFBDRO COCCOC1(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CCOCC1 ZINC000824590800 743113274 /nfs/dbraw/zinc/11/32/74/743113274.db2.gz PVRBQFIZHGSFKZ-UHFFFAOYSA-N 1 0 358.822 2.550 20 5 FFBDRO Cc1ccc(N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)c([N+](=O)[O-])c1Br ZINC000829020051 745156143 /nfs/dbraw/zinc/15/61/43/745156143.db2.gz VIWGNZPHKXXBNH-TXEJJXNPSA-N 1 0 372.263 2.557 20 5 FFBDRO Cc1cc([C@H]([NH3+])CC(=O)NCCc2ccccc2[N+](=O)[O-])cc(Cl)n1 ZINC000830591976 745389659 /nfs/dbraw/zinc/38/96/59/745389659.db2.gz PQQMHJOMWZASIA-CQSZACIVSA-N 1 0 362.817 2.700 20 5 FFBDRO C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H](CO)c1ccc(Cl)cc1 ZINC000830896422 745447577 /nfs/dbraw/zinc/44/75/77/745447577.db2.gz DVMOFXQZDNWAPO-SJORKVTESA-N 1 0 350.802 2.947 20 5 FFBDRO CO[C@@H]1C[C@H]([NH2+][C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1(C)C ZINC000831334460 745516575 /nfs/dbraw/zinc/51/65/75/745516575.db2.gz WHVFPDBVGDNLEX-QCZZGDTMSA-N 1 0 355.822 2.978 20 5 FFBDRO CC(C)[N@@H+]1CC[C@@H](N(C)CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000832779072 745754313 /nfs/dbraw/zinc/75/43/13/745754313.db2.gz TZWOPANGEOQLGY-CYBMUJFWSA-N 1 0 354.838 2.601 20 5 FFBDRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000838513978 746655581 /nfs/dbraw/zinc/65/55/81/746655581.db2.gz RIXMHIGDYIIDEA-CYBMUJFWSA-N 1 0 354.838 2.874 20 5 FFBDRO CC(C)(C)C[N@H+](CCCO)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839486675 746836942 /nfs/dbraw/zinc/83/69/42/746836942.db2.gz QJWXENOKWXEINV-UHFFFAOYSA-N 1 0 357.838 2.917 20 5 FFBDRO CCO[C@@H]1COCC[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1Br ZINC000839567820 746858403 /nfs/dbraw/zinc/85/84/03/746858403.db2.gz QLRAEKUAGVGVQJ-DGCLKSJQSA-N 1 0 359.220 2.641 20 5 FFBDRO CC(C)[N@@H+]1CC[C@@H](N(C)CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000839615198 746872208 /nfs/dbraw/zinc/87/22/08/746872208.db2.gz JHQCFAZHZKFJBD-CYBMUJFWSA-N 1 0 354.838 2.601 20 5 FFBDRO CO[C@@H]([C@@H](C)[NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)C1CC1 ZINC000840779438 747181256 /nfs/dbraw/zinc/18/12/56/747181256.db2.gz BVNDJOUYEBFDOI-FTGAXOIBSA-N 1 0 355.822 2.978 20 5 FFBDRO Cc1cc(S(=O)(=O)N(C)C(C)(C)C[NH+]2CCCC2)cc([N+](=O)[O-])c1F ZINC000841573411 747410183 /nfs/dbraw/zinc/41/01/83/747410183.db2.gz XBEDQXLYROACIB-UHFFFAOYSA-N 1 0 373.450 2.537 20 5 FFBDRO O=C(CN1CCC([C@H]2CCC[NH2+]2)CC1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000842472295 747612462 /nfs/dbraw/zinc/61/24/62/747612462.db2.gz BXZYRNTVGWMGLD-CQSZACIVSA-N 1 0 366.849 2.651 20 5 FFBDRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000842509168 747623451 /nfs/dbraw/zinc/62/34/51/747623451.db2.gz HECPKLAKAYYRPG-HZPDHXFCSA-N 1 0 367.833 2.607 20 5 FFBDRO Cc1cc(S(=O)(=O)N(CCC[NH3+])CC2CCCC2)cc([N+](=O)[O-])c1F ZINC000842859986 747707471 /nfs/dbraw/zinc/70/74/71/747707471.db2.gz ONNVNLOLPSDZIA-UHFFFAOYSA-N 1 0 373.450 2.572 20 5 FFBDRO CC[NH2+]CC1CCN([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000843352087 747815326 /nfs/dbraw/zinc/81/53/26/747815326.db2.gz DHJKWMGZFKQBNG-GFCCVEGCSA-N 1 0 368.865 2.897 20 5 FFBDRO O=C(CN1CCC([C@H]2CC[NH2+]C2)CC1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000843385831 747821510 /nfs/dbraw/zinc/82/15/10/747821510.db2.gz ADGGABOVAVHDER-ZDUSSCGKSA-N 1 0 366.849 2.508 20 5 FFBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000843452691 747838805 /nfs/dbraw/zinc/83/88/05/747838805.db2.gz WMIPTRIKUBBDMJ-HNNXBMFYSA-N 1 0 369.824 2.920 20 5 FFBDRO C[C@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C2(CCC2)CO1 ZINC000844422646 748026552 /nfs/dbraw/zinc/02/65/52/748026552.db2.gz RDEZEZRLHUCFKU-LBPRGKRZSA-N 1 0 351.378 2.706 20 5 FFBDRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(C(=O)c3cccc(Cl)c3[N+](=O)[O-])C2)C1 ZINC000846687321 748524223 /nfs/dbraw/zinc/52/42/23/748524223.db2.gz CUWOOXRRKTVNCD-LALPHHSUSA-N 1 0 367.833 2.607 20 5 FFBDRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(C(=O)c3cc([N+](=O)[O-])ccc3Cl)C2)C1 ZINC000846717436 748529084 /nfs/dbraw/zinc/52/90/84/748529084.db2.gz FQJDKHNNUJVNDR-HWWQOWPSSA-N 1 0 367.833 2.607 20 5 FFBDRO C[C@@H]1COCC[N@@H+]1C1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000846911859 748572932 /nfs/dbraw/zinc/57/29/32/748572932.db2.gz KQICBBFSUSRONK-CYBMUJFWSA-N 1 0 353.850 2.933 20 5 FFBDRO CCOC(=O)CC[N@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C(C)C ZINC000847087625 748618936 /nfs/dbraw/zinc/61/89/36/748618936.db2.gz XZSWUMGAFNLEMO-UHFFFAOYSA-N 1 0 371.821 2.850 20 5 FFBDRO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000850416972 749362077 /nfs/dbraw/zinc/36/20/77/749362077.db2.gz IKCWRQILADGIGZ-LBPRGKRZSA-N 1 0 353.419 2.948 20 5 FFBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CC[S@](=O)CC(F)(F)F)C1CC1 ZINC000850493255 749374215 /nfs/dbraw/zinc/37/42/15/749374215.db2.gz VBLBZYICDDKBLX-OZAJXLCCSA-N 1 0 364.389 2.817 20 5 FFBDRO C[S@](=O)[C@@H]1CCC[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000850500457 749375973 /nfs/dbraw/zinc/37/59/73/749375973.db2.gz DMNOBMFVHJKSOL-ZCWUUALQSA-N 1 0 365.499 2.843 20 5 FFBDRO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000854184431 750258157 /nfs/dbraw/zinc/25/81/57/750258157.db2.gz MPVQZKHBJOSLEC-CYBMUJFWSA-N 1 0 368.821 2.623 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)c1C ZINC000896379075 971453484 /nfs/dbraw/zinc/45/34/84/971453484.db2.gz ABAHLSGPUUMUGP-INIZCTEOSA-N 1 0 361.442 2.585 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)c1C ZINC000896379082 971453974 /nfs/dbraw/zinc/45/39/74/971453974.db2.gz ABAHLSGPUUMUGP-MRXNPFEDSA-N 1 0 361.442 2.585 20 5 FFBDRO C[C@@H]1CCCC[N@@H+]1CCCNc1cc([N+](=O)[O-])cc(Br)[n+]1[O-] ZINC001167753143 971721668 /nfs/dbraw/zinc/72/16/68/971721668.db2.gz LIRXDSOXYUABEF-LLVKDONJSA-N 1 0 373.251 2.667 20 5 FFBDRO COc1ccccc1[C@H]1C[NH2+]CCN1CCOc1ccccc1[N+](=O)[O-] ZINC000262315406 971791717 /nfs/dbraw/zinc/79/17/17/971791717.db2.gz ZQUMTMYTRLTJCX-QGZVFWFLSA-N 1 0 357.410 2.629 20 5 FFBDRO COc1cc(C[NH2+]C[C@H](O)c2c(F)cccc2F)c([N+](=O)[O-])cc1OC ZINC000123965201 971900785 /nfs/dbraw/zinc/90/07/85/971900785.db2.gz LAPMKADQRTXVDO-AWEZNQCLSA-N 1 0 368.336 2.713 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@H](CO)c2cccc(C(F)(F)F)c2)cc1 ZINC000872216714 1013181693 /nfs/dbraw/zinc/18/16/93/1013181693.db2.gz BRBBSCRWMVPCGP-CVEARBPZSA-N 1 0 370.327 2.970 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ccc(-n3ccnc3[C@@H]3CCC[NH2+]C3)nn2)cc1 ZINC001167057964 959219820 /nfs/dbraw/zinc/21/98/20/959219820.db2.gz YUZNBZBHALITRE-CQSZACIVSA-N 1 0 350.382 2.705 20 5 FFBDRO O=C(CCN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000134911834 960120511 /nfs/dbraw/zinc/12/05/11/960120511.db2.gz HWCVXQRWTPCDGW-BEFAXECRSA-N 1 0 372.469 2.872 20 5 FFBDRO O=C(N[C@@H]1CCC[NH2+]CC1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000646986723 961051157 /nfs/dbraw/zinc/05/11/57/961051157.db2.gz PEYLXKHHZTVTOJ-CYBMUJFWSA-N 1 0 371.387 2.831 20 5 FFBDRO [NH3+]CC1(N(Cc2ccccc2)c2ccc3ncccc3c2[N+](=O)[O-])COC1 ZINC001167374858 962487011 /nfs/dbraw/zinc/48/70/11/962487011.db2.gz VYKSMZZKPIQTAW-UHFFFAOYSA-N 1 0 364.405 2.877 20 5 FFBDRO Cc1c(C[NH2+]CC[C@@](O)(c2nccn2C)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000873020270 1013351099 /nfs/dbraw/zinc/35/10/99/1013351099.db2.gz MATQNQHENUUVJC-OAHLLOKOSA-N 1 0 372.347 2.567 20 5 FFBDRO Cc1c(CNc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)cccc1[N+](=O)[O-] ZINC000873083758 1013379482 /nfs/dbraw/zinc/37/94/82/1013379482.db2.gz FDPQRDIICYFJCS-UHFFFAOYSA-N 1 0 370.409 2.985 20 5 FFBDRO C[C@H](NC(=O)NCc1cccc2c1CC[NH2+]C2)c1cccc([N+](=O)[O-])c1 ZINC000891382346 963757808 /nfs/dbraw/zinc/75/78/08/963757808.db2.gz MLRXNCBKKNDOHG-ZDUSSCGKSA-N 1 0 354.410 2.801 20 5 FFBDRO C[C@@](CO)([NH2+]Cc1ccc(-n2cccn2)cc1)c1cccc([N+](=O)[O-])c1 ZINC001175324265 1013444936 /nfs/dbraw/zinc/44/49/36/1013444936.db2.gz VLTMWZVYFVUASE-IBGZPJMESA-N 1 0 352.394 2.778 20 5 FFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)C[C@H](O)CN(C)C(=O)OC(C)(C)C ZINC001175390976 1013467915 /nfs/dbraw/zinc/46/79/15/1013467915.db2.gz UPWAULQUHBCLGL-KBPBESRZSA-N 1 0 367.446 2.815 20 5 FFBDRO C[C@@H](CNC(=O)NCC1CC[NH+](C2CC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000894473447 965396000 /nfs/dbraw/zinc/39/60/00/965396000.db2.gz UDFLCZCYNYDNCP-AWEZNQCLSA-N 1 0 360.458 2.872 20 5 FFBDRO CCc1ccc([C@H]2C[NH2+]CCN2C(=O)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000262035438 965417367 /nfs/dbraw/zinc/41/73/67/965417367.db2.gz SSLIJIQJQNBQCT-LJQANCHMSA-N 1 0 353.422 2.873 20 5 FFBDRO CC1=CCN(C(=O)Nc2cc(N3CC[NH+](C)CC3)ccc2[N+](=O)[O-])CC1 ZINC000934044991 965543171 /nfs/dbraw/zinc/54/31/71/965543171.db2.gz FMTHWJHJTUWDSK-UHFFFAOYSA-N 1 0 359.430 2.531 20 5 FFBDRO COc1ccc(NC(=O)C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC001176028816 1013613571 /nfs/dbraw/zinc/61/35/71/1013613571.db2.gz PTFSRWZGOCIQSB-GFCCVEGCSA-N 1 0 359.382 2.901 20 5 FFBDRO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2cc3ccccc3c3cccnc23)C1 ZINC000684845784 966434386 /nfs/dbraw/zinc/43/43/86/966434386.db2.gz UQQPGZIBSMUARN-JOCHJYFZSA-N 1 0 363.461 2.917 20 5 FFBDRO C[NH+](C)CCOc1cc(N(C(N)=[NH2+])c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC001167995184 967173963 /nfs/dbraw/zinc/17/39/63/967173963.db2.gz VNKSAGPPSSSYFE-UHFFFAOYSA-N 1 0 361.377 2.706 20 5 FFBDRO COc1ccc(C[NH+](C)C)cc1NCc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000892340071 967538358 /nfs/dbraw/zinc/53/83/58/967538358.db2.gz KZFQBWUWHSZPTR-UHFFFAOYSA-N 1 0 361.398 2.991 20 5 FFBDRO Cc1cc(C(=O)NCC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)c(N)c([N+](=O)[O-])c1 ZINC000729525365 967666969 /nfs/dbraw/zinc/66/69/69/967666969.db2.gz HWGFHDWPSWCYJI-KBPBESRZSA-N 1 0 362.474 2.972 20 5 FFBDRO O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000188971029 969779406 /nfs/dbraw/zinc/77/94/06/969779406.db2.gz JJVLYYPKGPNPNG-RHSMWYFYSA-N 1 0 361.348 2.749 20 5 FFBDRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000874850093 1013918114 /nfs/dbraw/zinc/91/81/14/1013918114.db2.gz NVRIIWQFORTVQY-WBVHZDCISA-N 1 0 358.442 2.504 20 5 FFBDRO CC(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)C[C@@H]2C1 ZINC000895575328 970750694 /nfs/dbraw/zinc/75/06/94/970750694.db2.gz BAKXRRHTLMBUSA-IYBDPMFKSA-N 1 0 355.394 2.765 20 5 FFBDRO Cc1ccc(CNC(=O)N(CC[NH+](C)C)Cc2ccccn2)cc1[N+](=O)[O-] ZINC000876171499 1014157646 /nfs/dbraw/zinc/15/76/46/1014157646.db2.gz MULVGYVJAGYBNO-UHFFFAOYSA-N 1 0 371.441 2.572 20 5 FFBDRO C[N@H+](Cc1cc2ccccc2o1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985430778 974067858 /nfs/dbraw/zinc/06/78/58/974067858.db2.gz JXWKBVMYYGFTDF-IAGOWNOFSA-N 1 0 357.410 2.521 20 5 FFBDRO CC(C)Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1 ZINC000981137967 976263641 /nfs/dbraw/zinc/26/36/41/976263641.db2.gz IQEPBMUWVCLTRP-RTBURBONSA-N 1 0 359.470 2.585 20 5 FFBDRO Cc1ncccc1OC[C@H]1CCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000842173441 976714648 /nfs/dbraw/zinc/71/46/48/976714648.db2.gz PSEPUHRJAQKREQ-MSOLQXFVSA-N 1 0 357.410 2.875 20 5 FFBDRO C[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[C@H](O)c1ccc(F)cc1 ZINC000877034534 1014456264 /nfs/dbraw/zinc/45/62/64/1014456264.db2.gz JQDQQCQCBGYDLS-DJJJIMSYSA-N 1 0 374.416 2.809 20 5 FFBDRO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877073939 1014468940 /nfs/dbraw/zinc/46/89/40/1014468940.db2.gz WAUXUJJGPLDYBU-CNXCKVANSA-N 1 0 369.469 2.995 20 5 FFBDRO C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877073941 1014469436 /nfs/dbraw/zinc/46/94/36/1014469436.db2.gz WAUXUJJGPLDYBU-WVLNKYAVSA-N 1 0 369.469 2.995 20 5 FFBDRO C[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[C@@H](O)c1cccc(F)c1 ZINC000877084184 1014472326 /nfs/dbraw/zinc/47/23/26/1014472326.db2.gz QASUGLRVYVOBGE-ORAYPTAESA-N 1 0 374.416 2.809 20 5 FFBDRO CC(C)(CO)[C@@H](C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000877116808 1014479360 /nfs/dbraw/zinc/47/93/60/1014479360.db2.gz WQGPAXKSPVTJOF-HTWSVDAQSA-N 1 0 358.442 2.887 20 5 FFBDRO Cc1ccc([C@H](C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)N2CCCC2)o1 ZINC000877145792 1014489413 /nfs/dbraw/zinc/48/94/13/1014489413.db2.gz CQLOZNYITKHVGM-DQPZFDDXSA-N 1 0 359.430 2.823 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N3CCC[C@@H]4[NH2+]CC[C@H]43)cc2[N+](=O)[O-])CC1 ZINC000877286533 1014537339 /nfs/dbraw/zinc/53/73/39/1014537339.db2.gz FUWZOVPOXPLEQP-DLBZAZTESA-N 1 0 372.469 2.798 20 5 FFBDRO O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000877329092 1014550081 /nfs/dbraw/zinc/55/00/81/1014550081.db2.gz QROXSHFQJFYPKL-INIZCTEOSA-N 1 0 369.421 2.637 20 5 FFBDRO [NH3+]C[C@@H]1CN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C[C@H]1C(F)(F)F ZINC000877354334 1014559943 /nfs/dbraw/zinc/55/99/43/1014559943.db2.gz FJCHGMLMVYVFFY-BXUZGUMPSA-N 1 0 371.359 2.612 20 5 FFBDRO O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000877398962 1014572583 /nfs/dbraw/zinc/57/25/83/1014572583.db2.gz PXBHGMILBTYTMB-DENIHFKCSA-N 1 0 361.445 2.556 20 5 FFBDRO CCc1ccc([C@H](O)C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1 ZINC000877514790 1014607851 /nfs/dbraw/zinc/60/78/51/1014607851.db2.gz QHHHIGOVANQNPP-LJQANCHMSA-N 1 0 370.453 2.844 20 5 FFBDRO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)N1CCN(c2cc[nH+]cc2)CC1 ZINC000905359106 980424500 /nfs/dbraw/zinc/42/45/00/980424500.db2.gz LHMNHJOEOZRVLS-UHFFFAOYSA-N 1 0 374.828 2.925 20 5 FFBDRO C[C@@H](C[NH2+]Cc1cn(Cc2cccnc2)nn1)c1ccccc1[N+](=O)[O-] ZINC000897465804 981133222 /nfs/dbraw/zinc/13/32/22/981133222.db2.gz INVLYAPUIQLPLY-AWEZNQCLSA-N 1 0 352.398 2.523 20 5 FFBDRO O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000908249040 981400112 /nfs/dbraw/zinc/40/01/12/981400112.db2.gz JVEDGUKYRDHJTM-KDOFPFPSSA-N 1 0 356.426 2.752 20 5 FFBDRO COc1ccc(OC)c([C@H](O)[C@@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000877832347 1014747303 /nfs/dbraw/zinc/74/73/03/1014747303.db2.gz KMEUFSZPGREKQE-BFUOFWGJSA-N 1 0 360.410 2.866 20 5 FFBDRO Cn1ccnc1[C@H](NCC[C@@H]1CCCC[C@@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000897535544 981638405 /nfs/dbraw/zinc/63/84/05/981638405.db2.gz AGHICEPDSRIGQO-JCGIZDLHSA-N 1 0 358.442 2.949 20 5 FFBDRO CCCCCCNC(=O)[C@H]1CCC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000878020659 1014815729 /nfs/dbraw/zinc/81/57/29/1014815729.db2.gz TZKWWCHBCUEXSN-INIZCTEOSA-N 1 0 365.478 2.508 20 5 FFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([NH2+]CCc2ccc3ccccc3c2)CC1 ZINC000996439149 984346154 /nfs/dbraw/zinc/34/61/54/984346154.db2.gz CEHMXHDFQRGGTH-WOJBJXKFSA-N 1 0 367.449 2.628 20 5 FFBDRO O=[N+]([O-])c1ccnn1CN1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000164804449 984402807 /nfs/dbraw/zinc/40/28/07/984402807.db2.gz KQBAMIQRLUYGQL-ROUUACIJSA-N 1 0 355.442 2.735 20 5 FFBDRO O=C(C1CC1)N1CCC([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000764841591 984738852 /nfs/dbraw/zinc/73/88/52/984738852.db2.gz XZAYSKQXQPUMSA-UHFFFAOYSA-N 1 0 372.469 2.554 20 5 FFBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878605192 1015127406 /nfs/dbraw/zinc/12/74/06/1015127406.db2.gz FNJPHEFFFWGDOR-UONOGXRCSA-N 1 0 357.414 2.703 20 5 FFBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878615871 1015132818 /nfs/dbraw/zinc/13/28/18/1015132818.db2.gz QVHWSUDSWOYAMJ-UKRRQHHQSA-N 1 0 357.414 2.703 20 5 FFBDRO Cc1c(C(=O)NC[C@@H](C)C[NH+]2CCCCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000063782596 986070327 /nfs/dbraw/zinc/07/03/27/986070327.db2.gz VSESRXAMFMYCFS-GFCCVEGCSA-N 1 0 364.402 2.663 20 5 FFBDRO CCc1ccc(S(=O)(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC001212497450 987781176 /nfs/dbraw/zinc/78/11/76/987781176.db2.gz NQFDPWLVQNDOML-AWEZNQCLSA-N 1 0 369.487 2.556 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC([NH2+]C3CCOCC3)CC2)c1C ZINC000922845324 988954669 /nfs/dbraw/zinc/95/46/69/988954669.db2.gz NYYBSGNGFGCFKV-UHFFFAOYSA-N 1 0 361.442 2.585 20 5 FFBDRO COc1cccc(C(=O)NCCC[N@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000193889533 989098073 /nfs/dbraw/zinc/09/80/73/989098073.db2.gz KNQGHVPCKDFYPD-UHFFFAOYSA-N 1 0 357.410 2.855 20 5 FFBDRO CC[C@@H](CO)[NH2+][C@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000915875555 989160977 /nfs/dbraw/zinc/16/09/77/989160977.db2.gz QSJPQSWFCZWMSF-YJBOKZPZSA-N 1 0 357.410 2.944 20 5 FFBDRO O=C(CC[N@H+]1CC[C@H](O)[C@H]2CCCC[C@@H]21)Nc1cc([N+](=O)[O-])ccc1F ZINC000879419995 1015522682 /nfs/dbraw/zinc/52/26/82/1015522682.db2.gz RGIZYICYQZNXON-JQFCIGGWSA-N 1 0 365.405 2.688 20 5 FFBDRO Cc1c(C[NH2+]Cc2cccc(OCC(=O)N(C)C)c2)cccc1[N+](=O)[O-] ZINC000917138078 990154333 /nfs/dbraw/zinc/15/43/33/990154333.db2.gz UOMVSBKHRQPEOO-UHFFFAOYSA-N 1 0 357.410 2.660 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@@H](O)c2ccccc2C(F)(F)F)cc1 ZINC000918748000 990488016 /nfs/dbraw/zinc/48/80/16/990488016.db2.gz KETYTKUEJNBDMA-HZPDHXFCSA-N 1 0 370.327 2.970 20 5 FFBDRO CC(C)C[N@@H+]1CCO[C@@H](COC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000919212896 990591096 /nfs/dbraw/zinc/59/10/96/990591096.db2.gz YROSITJGURJSHY-OAHLLOKOSA-N 1 0 362.382 2.855 20 5 FFBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000919877938 990752837 /nfs/dbraw/zinc/75/28/37/990752837.db2.gz QOHUWSFDJGMABG-ZNMIVQPWSA-N 1 0 362.474 2.757 20 5 FFBDRO COc1cccc(C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000195358143 990866314 /nfs/dbraw/zinc/86/63/14/990866314.db2.gz HZZKJVPUNGYKGB-UHFFFAOYSA-N 1 0 369.421 2.952 20 5 FFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)OCc1cccnc1[N+](=O)[O-] ZINC000923853426 990972006 /nfs/dbraw/zinc/97/20/06/990972006.db2.gz YDKRYZRHFPHGHH-PBHICJAKSA-N 1 0 355.394 2.801 20 5 FFBDRO C[C@@H]1CCC[C@](CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)([NH+](C)C)C1 ZINC000068116819 991335939 /nfs/dbraw/zinc/33/59/39/991335939.db2.gz CYGSTSVINJPGKY-PXAZEXFGSA-N 1 0 364.402 2.743 20 5 FFBDRO Cc1cc(C(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c(N)c([N+](=O)[O-])c1 ZINC000068548613 991465250 /nfs/dbraw/zinc/46/52/50/991465250.db2.gz FJBJBKRRQMKWFE-GJZGRUSLSA-N 1 0 362.474 2.973 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2Cc3cccnc3N3CCC[C@H]3C2)cc1 ZINC000879691109 1015641616 /nfs/dbraw/zinc/64/16/16/1015641616.db2.gz OOAYYCKZDCNQRJ-ZWKOTPCHSA-N 1 0 354.410 2.508 20 5 FFBDRO Cc1c(NC(=O)CCN2CCC(C)([NH+]3CCC3)CC2)cccc1[N+](=O)[O-] ZINC000880475063 1015845176 /nfs/dbraw/zinc/84/51/76/1015845176.db2.gz SKVUQSKLBNBDTE-UHFFFAOYSA-N 1 0 360.458 2.792 20 5 FFBDRO COc1ccc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)c(OC)c1OC ZINC000809735148 994584969 /nfs/dbraw/zinc/58/49/69/994584969.db2.gz ZDVJDKIOGIVGFH-UHFFFAOYSA-N 1 0 361.398 2.586 20 5 FFBDRO CN(CCOC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000810556023 994817896 /nfs/dbraw/zinc/81/78/96/994817896.db2.gz WZRWZLCAWCUIRK-GOSISDBHSA-N 1 0 367.421 2.787 20 5 FFBDRO [NH3+]CCN(c1ccc2ncc([N+](=O)[O-])n2c1)C12CC3CC(CC(C3)C1)C2 ZINC001170627294 995048615 /nfs/dbraw/zinc/04/86/15/995048615.db2.gz OTLGCJGUCWESJA-UHFFFAOYSA-N 1 0 355.442 2.976 20 5 FFBDRO [NH3+]CCN(c1ccc([N+](=O)[O-])c2c1CNC2=O)C12CC3CC(CC(C3)C1)C2 ZINC001170629348 995068361 /nfs/dbraw/zinc/06/83/61/995068361.db2.gz DMDCCSRUYLGODM-UHFFFAOYSA-N 1 0 370.453 2.572 20 5 FFBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC001132801142 995143930 /nfs/dbraw/zinc/14/39/30/995143930.db2.gz JVPGUTLUPTXHAX-YQQAZPJKSA-N 1 0 374.485 2.901 20 5 FFBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)C[C@@H]2C1 ZINC000812333561 995418515 /nfs/dbraw/zinc/41/85/15/995418515.db2.gz JBWXDBWLFMXLOE-KGLIPLIRSA-N 1 0 372.450 2.742 20 5 FFBDRO CCOc1cc(NC(=O)NC2CC[NH+](CC3CC3)CC2)ccc1[N+](=O)[O-] ZINC000888836459 1015977463 /nfs/dbraw/zinc/97/74/63/1015977463.db2.gz XWPVIUYNIRGANY-UHFFFAOYSA-N 1 0 362.430 2.989 20 5 FFBDRO Cc1cc(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)c(N)c([N+](=O)[O-])c1 ZINC000727767343 995939287 /nfs/dbraw/zinc/93/92/87/995939287.db2.gz WWCOHFLDXXBWKH-INIZCTEOSA-N 1 0 368.437 2.880 20 5 FFBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N[C@H]2CC[C@H](C[NH3+])C2)CC1 ZINC000825188739 997266775 /nfs/dbraw/zinc/26/67/75/997266775.db2.gz NVDQIBKZOQFJTI-GJZGRUSLSA-N 1 0 360.458 2.688 20 5 FFBDRO CN(C)c1cc(F)c(C(=O)NCC[N@H+](C)C2CCCCC2)cc1[N+](=O)[O-] ZINC000825466548 997389951 /nfs/dbraw/zinc/38/99/51/997389951.db2.gz GSOGPNSUKQZPNO-UHFFFAOYSA-N 1 0 366.437 2.794 20 5 FFBDRO [NH3+][C@H]1CCc2c3ccccc3n(-c3ccc([N+](=O)[O-])c4c3CNC4=O)c2C1 ZINC001171097289 997571258 /nfs/dbraw/zinc/57/12/58/997571258.db2.gz ADEZOMZOYIEFHW-NSHDSACASA-N 1 0 362.389 2.598 20 5 FFBDRO COCC[N@H+]1[C@H](C)CN(C(=O)/C=C(/C)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000844021576 997588209 /nfs/dbraw/zinc/58/82/09/997588209.db2.gz COIJRTBSEIWCHM-REJXWNQVSA-N 1 0 361.442 2.566 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N(C)c1ccc(OCC[NH+](C)C)cc1 ZINC000732005992 998392426 /nfs/dbraw/zinc/39/24/26/998392426.db2.gz IVQXUOYYCFIJJD-UHFFFAOYSA-N 1 0 373.409 2.820 20 5 FFBDRO CN(C(=O)CNc1ccccc1[N+](=O)[O-])c1ccc(OCC[NH+](C)C)cc1 ZINC000732134651 998478366 /nfs/dbraw/zinc/47/83/66/998478366.db2.gz FLIGWRIGMPGJAU-UHFFFAOYSA-N 1 0 372.425 2.610 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@H]1COC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000845733426 998640499 /nfs/dbraw/zinc/64/04/99/998640499.db2.gz ARKAULCFYDSCMD-INIZCTEOSA-N 1 0 358.398 2.810 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000803858857 1016246670 /nfs/dbraw/zinc/24/66/70/1016246670.db2.gz KAAYAFNFRFMAPT-CQSZACIVSA-N 1 0 363.414 2.649 20 5 FFBDRO O=C(NC1(C2CC[NH+](C/C=C/c3ccccc3)CC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001000152892 1016247539 /nfs/dbraw/zinc/24/75/39/1016247539.db2.gz GUOQSPXTPOBMHC-LVLPYEQSSA-N 1 0 369.465 2.726 20 5 FFBDRO C[NH+](C)CC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CC1 ZINC000733882906 999096231 /nfs/dbraw/zinc/09/62/31/999096231.db2.gz YBYMOQICQYRQIO-UHFFFAOYSA-N 1 0 360.458 2.609 20 5 FFBDRO Cc1ccc(NC(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)cc1[N+](=O)[O-] ZINC000734262562 999257379 /nfs/dbraw/zinc/25/73/79/999257379.db2.gz LSIWQTLBWFAFMT-MRXNPFEDSA-N 1 0 362.430 2.668 20 5 FFBDRO CCOCCC[N@@H+]1CC[C@@H](Nc2nc3ccccn3c2[N+](=O)[O-])[C@@H](C)C1 ZINC000734483333 999296145 /nfs/dbraw/zinc/29/61/45/999296145.db2.gz YSZLMUOOXCPPMD-LSDHHAIUSA-N 1 0 361.446 2.791 20 5 FFBDRO COc1ccc([C@@H]2[C@H](COC(=O)c3ccc([N+](=O)[O-])n3C)CC[N@@H+]2C)cc1 ZINC000741120411 999709713 /nfs/dbraw/zinc/70/97/13/999709713.db2.gz GDBLFSODIDKNKH-KBXCAEBGSA-N 1 0 373.409 2.792 20 5 FFBDRO Cc1c(C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000741579291 999732220 /nfs/dbraw/zinc/73/22/20/999732220.db2.gz LBKYRFSFRUIMJM-IINYFYTJSA-N 1 0 364.402 2.532 20 5 FFBDRO C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CC[N@@H+]1C ZINC000741724494 999738871 /nfs/dbraw/zinc/73/88/71/999738871.db2.gz MRHRSZXEYXGMSZ-GJZGRUSLSA-N 1 0 360.458 2.798 20 5 FFBDRO Cc1ccc(N2CCC[C@H]([NH2+]C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000743463892 999820013 /nfs/dbraw/zinc/82/00/13/999820013.db2.gz YUGJAAOREQJHGE-RBUKOAKNSA-N 1 0 369.421 2.722 20 5 FFBDRO O=C(C[NH+]1C2CCCC1CCC2)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000744406371 999855604 /nfs/dbraw/zinc/85/56/04/999855604.db2.gz IMTQYTUUGAYYPJ-UHFFFAOYSA-N 1 0 372.469 2.650 20 5 FFBDRO C[C@H]1CC[N@H+](CCNC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)C1 ZINC000744798033 999876286 /nfs/dbraw/zinc/87/62/86/999876286.db2.gz FIOHOQHGTRZRPD-INIZCTEOSA-N 1 0 374.485 2.903 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(OC(C)C)cc1-n1nnc(-c2cccc(C[NH3+])c2)n1 ZINC001168884123 1000006746 /nfs/dbraw/zinc/00/67/46/1000006746.db2.gz RZRPPCWGHUWGDB-UHFFFAOYSA-N 1 0 368.397 2.792 20 5 FFBDRO CC(C)(C)OC(=O)N1CCC(F)(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168956546 1000012750 /nfs/dbraw/zinc/01/27/50/1000012750.db2.gz BNSCUNVICQSGIM-ZIAGYGMSSA-N 1 0 359.442 2.761 20 5 FFBDRO CC(C)(C)OC(=O)N1C[C@@H]2[C@H]([NH2+][C@H]3CC[C@H](C[N+](=O)[O-])C3)CC[C@@H]2C1 ZINC001168965098 1000013275 /nfs/dbraw/zinc/01/32/75/1000013275.db2.gz XZFGLOCNLZTEEX-XFIYOXNOSA-N 1 0 353.463 2.667 20 5 FFBDRO CC(C)(C)OC(=O)N1C[C@@H]2[C@H]([NH2+][C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC[C@@H]2C1 ZINC001168965086 1000013320 /nfs/dbraw/zinc/01/33/20/1000013320.db2.gz XZFGLOCNLZTEEX-CQJMVSDSSA-N 1 0 353.463 2.667 20 5 FFBDRO CC1(COc2ccc(C[NH2+][C@H]3CC[C@@H](C[N+](=O)[O-])C3)cc2F)COC1 ZINC001169004026 1000014874 /nfs/dbraw/zinc/01/48/74/1000014874.db2.gz PDJSNLKXDBYQFJ-CABCVRRESA-N 1 0 352.406 2.776 20 5 FFBDRO CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@@H+]2[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169013964 1000015625 /nfs/dbraw/zinc/01/56/25/1000015625.db2.gz WYQQLNSUPPUZPK-RKVPGOIHSA-N 1 0 353.463 2.907 20 5 FFBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCC3(CCN(c4ncccn4)CC3)CC2)C1 ZINC001169018913 1000017275 /nfs/dbraw/zinc/01/72/75/1000017275.db2.gz DIZZPIASWKNXKR-IAGOWNOFSA-N 1 0 359.474 2.604 20 5 FFBDRO O=C1N(CC2CC2)c2ccccc2[C@]12CC[N@@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169026750 1000018169 /nfs/dbraw/zinc/01/81/69/1000018169.db2.gz NTDYIXVYNAKWSE-XGHQBKJUSA-N 1 0 369.465 2.832 20 5 FFBDRO CS(=O)(=O)c1cccc([C@@H]2CCC[N@@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)c1 ZINC001169046922 1000018375 /nfs/dbraw/zinc/01/83/75/1000018375.db2.gz OLCBYTPVVWIEOR-OIISXLGYSA-N 1 0 366.483 2.715 20 5 FFBDRO [NH3+]Cc1cccc2c1cnn2-c1cnc(Oc2ccc([N+](=O)[O-])cc2)nc1 ZINC001169193310 1000030296 /nfs/dbraw/zinc/03/02/96/1000030296.db2.gz ZAMVJNOYIIFLEW-UHFFFAOYSA-N 1 0 362.349 2.975 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)C1 ZINC001147148014 1000832981 /nfs/dbraw/zinc/83/29/81/1000832981.db2.gz XCDBKFNROXDPOE-SECBINFHSA-N 1 0 372.828 2.820 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC001147493645 1000904752 /nfs/dbraw/zinc/90/47/52/1000904752.db2.gz FHABEAJJXGEPBL-IUODEOHRSA-N 1 0 353.850 2.979 20 5 FFBDRO CC(=O)Nc1cc(NC[C@H]2CCCC[NH2+]2)c([N+](=O)[O-])cc1Br ZINC001171333086 1001170230 /nfs/dbraw/zinc/17/02/30/1001170230.db2.gz BHXFMJCDDYTWSS-SNVBAGLBSA-N 1 0 371.235 2.870 20 5 FFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(Oc2ccnc(C(N)=O)c2)CC1 ZINC000772331175 1001367038 /nfs/dbraw/zinc/36/70/38/1001367038.db2.gz FCTBWNHUCXWPMW-CYBMUJFWSA-N 1 0 370.409 2.693 20 5 FFBDRO CCOc1ccc(NC(=O)C[NH2+]C(C)(C)C2CCOCC2)c([N+](=O)[O-])c1 ZINC000786151934 1001538049 /nfs/dbraw/zinc/53/80/49/1001538049.db2.gz XIUDHCHZLRCMRO-UHFFFAOYSA-N 1 0 365.430 2.727 20 5 FFBDRO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccc(N2CCNC2=O)cc1 ZINC000786851551 1001634808 /nfs/dbraw/zinc/63/48/08/1001634808.db2.gz AXYVWJWSCFBEKM-CQSZACIVSA-N 1 0 370.409 2.854 20 5 FFBDRO CC1(C(=O)OCCn2ccc([N+](=O)[O-])n2)CC[NH+](Cc2ccccc2)CC1 ZINC000772713088 1001751580 /nfs/dbraw/zinc/75/15/80/1001751580.db2.gz WIRBEUVJHHUBDX-UHFFFAOYSA-N 1 0 372.425 2.637 20 5 FFBDRO C[C@H]([NH2+]Cc1ccc(CN2CCOCC2)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788503750 1001813847 /nfs/dbraw/zinc/81/38/47/1001813847.db2.gz NRLDZRBUXGNAPH-HNNXBMFYSA-N 1 0 370.453 2.860 20 5 FFBDRO Cc1ccc([C@H](O)C[NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000774492219 1001930082 /nfs/dbraw/zinc/93/00/82/1001930082.db2.gz PAHSCHUXUFBPSW-KBXCAEBGSA-N 1 0 357.410 2.944 20 5 FFBDRO O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1NCCCNc1ccccn1 ZINC000774514076 1001955141 /nfs/dbraw/zinc/95/51/41/1001955141.db2.gz JDQGGLAJNRACFD-UHFFFAOYSA-N 1 0 355.398 2.796 20 5 FFBDRO CCNC(=O)C[C@@H]1CCCC[N@@H+]1Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000789519593 1002107370 /nfs/dbraw/zinc/10/73/70/1002107370.db2.gz LYDQBZUKRMFEAG-SFHVURJKSA-N 1 0 371.441 2.797 20 5 FFBDRO CC[NH+]1CCN(c2ccc(Nc3c(Cl)cncc3[N+](=O)[O-])cc2)CC1 ZINC001184580561 1002651484 /nfs/dbraw/zinc/65/14/84/1002651484.db2.gz ROTICVFUMVTHET-UHFFFAOYSA-N 1 0 361.833 2.951 20 5 FFBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000791395347 1002689058 /nfs/dbraw/zinc/68/90/58/1002689058.db2.gz RQTYWCKWLFZGDE-SJCJKPOMSA-N 1 0 372.400 2.566 20 5 FFBDRO COc1ccc(C[C@H](C)[NH2+][C@H]2CCc3[nH]c(=O)ccc3C2)c([N+](=O)[O-])c1 ZINC001170295174 1003088046 /nfs/dbraw/zinc/08/80/46/1003088046.db2.gz AGDYPQCTBGKIHR-WFASDCNBSA-N 1 0 357.410 2.782 20 5 FFBDRO COc1ccc(C[C@@H](C)[NH2+]CC(=O)N2CCc3ccccc32)c([N+](=O)[O-])c1 ZINC001170297189 1003091267 /nfs/dbraw/zinc/09/12/67/1003091267.db2.gz LUDWCUHLDLUYSX-CQSZACIVSA-N 1 0 369.421 2.713 20 5 FFBDRO COc1ccc(C[C@H](C)[NH2+]CCn2nnc3ccccc32)c([N+](=O)[O-])c1 ZINC001170305576 1003094009 /nfs/dbraw/zinc/09/40/09/1003094009.db2.gz NJKCEWACZROSOD-ZDUSSCGKSA-N 1 0 355.398 2.569 20 5 FFBDRO COc1cccc([C@H](CO)[NH2+][C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])c1 ZINC001170305584 1003094380 /nfs/dbraw/zinc/09/43/80/1003094380.db2.gz NKMTVICEEKFQHI-UGSOOPFHSA-N 1 0 360.410 2.866 20 5 FFBDRO CCOC(=O)[C@H]1CCC[C@@H]1[NH2+][C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170313355 1003104328 /nfs/dbraw/zinc/10/43/28/1003104328.db2.gz LSAJVTTZDUJGEJ-RCBQFDQVSA-N 1 0 350.415 2.856 20 5 FFBDRO COc1ccc(C[C@H](C)[NH2+]CCNC(=O)C2CCCCC2)c([N+](=O)[O-])c1 ZINC001170315955 1003106255 /nfs/dbraw/zinc/10/62/55/1003106255.db2.gz ZMICFVQFSCEZKP-AWEZNQCLSA-N 1 0 363.458 2.821 20 5 FFBDRO COc1ccc(C[C@@H](C)[NH2+][C@@H](CCO)c2ccc(N)cc2)c([N+](=O)[O-])c1 ZINC001170321847 1003110444 /nfs/dbraw/zinc/11/04/44/1003110444.db2.gz COTSORRWVGNLEW-ACJLOTCBSA-N 1 0 359.426 2.830 20 5 FFBDRO O=C(O[C@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1)c1ccc2c[nH+]cn2c1 ZINC000793277194 1003324556 /nfs/dbraw/zinc/32/45/56/1003324556.db2.gz IQESNNGJCBMTBH-HNNXBMFYSA-N 1 0 370.340 2.817 20 5 FFBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000804777026 1003830322 /nfs/dbraw/zinc/83/03/22/1003830322.db2.gz MLGSMBDDIAVIOD-INIZCTEOSA-N 1 0 360.458 2.799 20 5 FFBDRO CCO[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@H]1Oc1ccccc1 ZINC000775502599 1004071378 /nfs/dbraw/zinc/07/13/78/1004071378.db2.gz UBUUDKSZDBFMRQ-MTQWCTHYSA-N 1 0 372.421 2.843 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001131095271 1004720453 /nfs/dbraw/zinc/72/04/53/1004720453.db2.gz CTOXBIPYRUKPSR-CYBMUJFWSA-N 1 0 356.426 2.933 20 5 FFBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000808191048 1004769833 /nfs/dbraw/zinc/76/98/33/1004769833.db2.gz LTDXDGBNQKJSNM-HNAYVOBHSA-N 1 0 355.442 2.974 20 5 FFBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000808192379 1004771242 /nfs/dbraw/zinc/77/12/42/1004771242.db2.gz RRVLJBIIMDNEAP-BEFAXECRSA-N 1 0 355.442 2.974 20 5 FFBDRO CC(=O)NCC[C@@H]1CCC[N@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000808218014 1004777455 /nfs/dbraw/zinc/77/74/55/1004777455.db2.gz MKCLFJITFNVINC-INIZCTEOSA-N 1 0 371.441 2.654 20 5 FFBDRO C[C@@H](C(=O)N1CC[NH2+][C@H](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC001170546820 1004782270 /nfs/dbraw/zinc/78/22/70/1004782270.db2.gz HJGPTFRZWNGLQQ-GDBMZVCRSA-N 1 0 371.412 2.881 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCCN(Cc3ccc(F)cc3)CC2)cc1 ZINC000776276457 1005343254 /nfs/dbraw/zinc/34/32/54/1005343254.db2.gz NDJBTNCZWHGJGC-HXUWFJFHSA-N 1 0 373.428 2.975 20 5 FFBDRO [NH3+][C@@H]1CN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC[C@@H]1c1ccccc1 ZINC000850723392 1005834843 /nfs/dbraw/zinc/83/48/43/1005834843.db2.gz OQVWOLRFIDDVQK-PMBGHPPTSA-N 1 0 351.406 2.951 20 5 FFBDRO CC(C)n1cc(C2=CCC[N@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)CC2)nn1 ZINC000852135480 1005944623 /nfs/dbraw/zinc/94/46/23/1005944623.db2.gz RSLGTLDNXZOAQR-IBGZPJMESA-N 1 0 371.441 2.980 20 5 FFBDRO COCC[N@@H+](Cc1ccc2c(c1)OCO2)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776581304 1005961003 /nfs/dbraw/zinc/96/10/03/1005961003.db2.gz BWDXSXRBNXBCFP-KRWDZBQOSA-N 1 0 374.393 2.506 20 5 FFBDRO C[C@H](C(=O)N1CCN(c2cc[nH+]cc2)[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000881632525 1006164259 /nfs/dbraw/zinc/16/42/59/1006164259.db2.gz BSUHLGFJYPWPBQ-CABCVRRESA-N 1 0 354.410 2.831 20 5 FFBDRO CC[NH+]1CCN(C2CN(c3cc(C)c(C(F)(F)F)cc3[N+](=O)[O-])C2)CC1 ZINC001187717118 1006211443 /nfs/dbraw/zinc/21/14/43/1006211443.db2.gz QNWBXRFNMVYVJA-UHFFFAOYSA-N 1 0 372.391 2.748 20 5 FFBDRO CC(C)(CCC(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1)[N+](=O)[O-] ZINC000882398115 1006386550 /nfs/dbraw/zinc/38/65/50/1006386550.db2.gz YUZHNMXECKNHQD-QGZVFWFLSA-N 1 0 360.458 2.745 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH+]2CCC(CO)(c3ccccc3)CC2)cc1 ZINC000814646457 1006390588 /nfs/dbraw/zinc/39/05/88/1006390588.db2.gz FCMFHGFDKKWJLY-LJQANCHMSA-N 1 0 356.422 2.654 20 5 FFBDRO O=C1CN(C[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000853634212 1006488061 /nfs/dbraw/zinc/48/80/61/1006488061.db2.gz LZXZTAJSVFZNKZ-YOEHRIQHSA-N 1 0 372.425 2.976 20 5 FFBDRO C[N@@H+]1C[C@@]23CN(C(=O)CCNc4ccccc4[N+](=O)[O-])C[C@]2(C1)CCCC3 ZINC001135076469 1006666454 /nfs/dbraw/zinc/66/64/54/1006666454.db2.gz QEELEYFMZLNZBV-BGYRXZFFSA-N 1 0 372.469 2.731 20 5 FFBDRO C[C@@H]([NH2+][C@H]1CCCN(C(=O)N2CCCC2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815625759 1006718321 /nfs/dbraw/zinc/71/83/21/1006718321.db2.gz LGDKCKSKIVGCQE-HIFRSBDPSA-N 1 0 361.446 2.508 20 5 FFBDRO C[C@@H]([NH2+][C@@H]1CCCN(C(=O)N2CCCC2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815625760 1006718818 /nfs/dbraw/zinc/71/88/18/1006718818.db2.gz LGDKCKSKIVGCQE-UKRRQHHQSA-N 1 0 361.446 2.508 20 5 FFBDRO Cn1c(CN2CCN(c3ncccc3[N+](=O)[O-])CC2)cc2ccccc21 ZINC001206152529 1032165117 /nfs/dbraw/zinc/16/51/17/1032165117.db2.gz ZFMHDANATVFDQV-UHFFFAOYSA-N 1 0 351.410 2.804 20 5 FFBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000132516411 1006941122 /nfs/dbraw/zinc/94/11/22/1006941122.db2.gz XJRORHFTALFXBD-UHFFFAOYSA-N 1 0 362.474 2.855 20 5 FFBDRO C[NH+](C)C1(CNC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)CCCCC1 ZINC001135451381 1006944902 /nfs/dbraw/zinc/94/49/02/1006944902.db2.gz SXFKAIBQVPBHRR-UHFFFAOYSA-N 1 0 372.828 2.964 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC001189997669 1007417559 /nfs/dbraw/zinc/41/75/59/1007417559.db2.gz RXDSCSBXJAPLIO-OAHLLOKOSA-N 1 0 369.487 2.610 20 5 FFBDRO O=[N+]([O-])c1cnc(N2CCC[C@H]([NH+]3CCOCC3)CC2)c2ccccc21 ZINC000884548130 1007476487 /nfs/dbraw/zinc/47/64/87/1007476487.db2.gz DIRBDGFBTUWQKB-HNNXBMFYSA-N 1 0 356.426 2.834 20 5 FFBDRO C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C[C@H]1C[NH3+] ZINC000818008816 1007852122 /nfs/dbraw/zinc/85/21/22/1007852122.db2.gz JDPHDSKVWXKPBS-HUUCEWRRSA-N 1 0 360.458 2.642 20 5 FFBDRO [NH3+]Cc1ccc2c(c1)CCCN2C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000818552809 1007939613 /nfs/dbraw/zinc/93/96/13/1007939613.db2.gz QVNBUXYBSPZHNL-UHFFFAOYSA-N 1 0 354.410 2.835 20 5 FFBDRO CCCNC(=O)c1cccc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000818961401 1007979864 /nfs/dbraw/zinc/97/98/64/1007979864.db2.gz QNMCHEGHQABOLM-SFHVURJKSA-N 1 0 357.410 2.558 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]Cc2ccnc(N3CCCCC3)c2)c1 ZINC000818963833 1007980094 /nfs/dbraw/zinc/98/00/94/1007980094.db2.gz BSDXFWAFHWFFOA-GOSISDBHSA-N 1 0 356.426 2.803 20 5 FFBDRO COc1cccc(N2CC[C@@H]([NH2+]C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)c1 ZINC000819012555 1007998779 /nfs/dbraw/zinc/99/87/79/1007998779.db2.gz KUFYSDFLAVPSLW-BEFAXECRSA-N 1 0 357.410 2.505 20 5 FFBDRO O=C1CCCCN1c1ccc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000818971789 1008011650 /nfs/dbraw/zinc/01/16/50/1008011650.db2.gz AVZAZUADRGOHQA-IBGZPJMESA-N 1 0 369.421 2.935 20 5 FFBDRO COc1ccc2[nH]cc(CC[NH2+]C[C@H](O)c3ccc([N+](=O)[O-])cc3)c2c1 ZINC000819059937 1008020821 /nfs/dbraw/zinc/02/08/21/1008020821.db2.gz JEFIBZCSTAVJMV-IBGZPJMESA-N 1 0 355.394 2.950 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2CCN(c3ccc(F)cc3F)C2)c1 ZINC000819033939 1008027971 /nfs/dbraw/zinc/02/79/71/1008027971.db2.gz UMDXEPZIJWOQDY-RDTXWAMCSA-N 1 0 363.364 2.775 20 5 FFBDRO Cc1ccc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c(O[C@@H]2CCOC2)c1 ZINC000819157852 1008046201 /nfs/dbraw/zinc/04/62/01/1008046201.db2.gz YDEKXEVMCYDPEW-RTBURBONSA-N 1 0 372.421 2.894 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCOc2ncccc2C(F)(F)F)c1 ZINC000819182319 1008060586 /nfs/dbraw/zinc/06/05/86/1008060586.db2.gz BMMMEJMVUNHZHU-CQSZACIVSA-N 1 0 371.315 2.711 20 5 FFBDRO O=C1[C@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCCN1C1CCCCC1 ZINC000819254859 1008070745 /nfs/dbraw/zinc/07/07/45/1008070745.db2.gz TZMRERJTJRIEJX-MSOLQXFVSA-N 1 0 361.442 2.542 20 5 FFBDRO CCN(C(=O)OC(C)(C)C)[C@H](C)C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819274307 1008097481 /nfs/dbraw/zinc/09/74/81/1008097481.db2.gz HMVLEFBURKAPFH-CJNGLKHVSA-N 1 0 367.446 2.863 20 5 FFBDRO C[N@@H+]1CCCN(c2ccc(NC[C@H](O)c3cccc([N+](=O)[O-])c3)cc2)CC1 ZINC000819412346 1008140982 /nfs/dbraw/zinc/14/09/82/1008140982.db2.gz XFFNDLKOJDCEIF-FQEVSTJZSA-N 1 0 370.453 2.882 20 5 FFBDRO Cc1cc(NC[C@@H](O)c2cccc([N+](=O)[O-])c2)ccc1OCC[NH+](C)C ZINC000819491252 1008155031 /nfs/dbraw/zinc/15/50/31/1008155031.db2.gz BELPXMQBRZNWDR-GOSISDBHSA-N 1 0 359.426 2.989 20 5 FFBDRO O=C(N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857768242 1008203895 /nfs/dbraw/zinc/20/38/95/1008203895.db2.gz NPEOBSXSUUDZAA-IUODEOHRSA-N 1 0 369.368 2.557 20 5 FFBDRO CC(C)(C)OC(=O)N1CC[C@H]2CN(Cc3cccnc3[N+](=O)[O-])CC[C@@H]21 ZINC000886215989 1008602225 /nfs/dbraw/zinc/60/22/25/1008602225.db2.gz UOLABBPTJNPJHY-ZFWWWQNUSA-N 1 0 362.430 2.821 20 5 FFBDRO O=C(C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)Nc1cccc(F)c1 ZINC000822481185 1008639389 /nfs/dbraw/zinc/63/93/89/1008639389.db2.gz LZRWQAJCTJJYSN-UHFFFAOYSA-N 1 0 372.400 2.931 20 5 FFBDRO O=C1[C@@H]([NH2+][C@@H]2CCc3ccccc3OC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000509514133 1009528314 /nfs/dbraw/zinc/52/83/14/1009528314.db2.gz CETRXJABDHUPMA-QAPCUYQASA-N 1 0 367.405 2.684 20 5 FFBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC000889158583 1009842597 /nfs/dbraw/zinc/84/25/97/1009842597.db2.gz OTZNPRPDFSQIRI-WBMJQRKESA-N 1 0 356.426 2.742 20 5 FFBDRO COc1ccc(CN2CC[C@H]2C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000863576944 1010261244 /nfs/dbraw/zinc/26/12/44/1010261244.db2.gz ZEAPTSDRJUOWFD-AZUAARDMSA-N 1 0 371.437 2.501 20 5 FFBDRO COc1cc(C[NH2+]C[C@@H]2c3ccccc3CN2C)c([N+](=O)[O-])cc1OC ZINC000865807557 1010867093 /nfs/dbraw/zinc/86/70/93/1010867093.db2.gz VJYBYKQXABQLBA-QGZVFWFLSA-N 1 0 357.410 2.888 20 5 FFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H](CO)C[C@@H](O)c1ccccc1 ZINC000866311555 1010974777 /nfs/dbraw/zinc/97/47/77/1010974777.db2.gz SMHQSEPDBQBASS-OMWUSAIZSA-N 1 0 362.401 2.739 20 5 FFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCN1C[C@@H]2CCCCN2C1=O ZINC000866391951 1010987371 /nfs/dbraw/zinc/98/73/71/1010987371.db2.gz UHIKZWNLWOOORC-CJNGLKHVSA-N 1 0 364.421 2.545 20 5 FFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCN1C[C@@H]2CCCCN2C1=O ZINC000866391950 1010987756 /nfs/dbraw/zinc/98/77/56/1010987756.db2.gz UHIKZWNLWOOORC-BBRMVZONSA-N 1 0 364.421 2.545 20 5 FFBDRO C[C@@H](C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)CC1(C)OCCO1 ZINC000866426819 1010991929 /nfs/dbraw/zinc/99/19/29/1010991929.db2.gz DZPTWVDDHZYOCH-PBHICJAKSA-N 1 0 374.441 2.797 20 5 FFBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]Cc1ccnc(-n2cncn2)c1)C1CC1 ZINC000866435228 1010994949 /nfs/dbraw/zinc/99/49/49/1010994949.db2.gz JFFRANQIZGQJQI-KRWDZBQOSA-N 1 0 364.409 2.681 20 5 FFBDRO C[C@@]([NH3+])(C(=O)NC[C@@H]1SCCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000867944848 1011128078 /nfs/dbraw/zinc/12/80/78/1011128078.db2.gz KAQPSHIRYDWBIJ-HKUYNNGSSA-N 1 0 371.462 2.916 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]CCC1CCS(=O)(=O)CC1)CC2 ZINC001172899837 1012076038 /nfs/dbraw/zinc/07/60/38/1012076038.db2.gz DJWAEFZFJOEIIG-QGZVFWFLSA-N 1 0 366.483 2.647 20 5 FFBDRO CCC1([NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCS(=O)(=O)CC1 ZINC001172905575 1012077866 /nfs/dbraw/zinc/07/78/66/1012077866.db2.gz SCFCFEBKURXHRD-INIZCTEOSA-N 1 0 366.483 2.789 20 5 FFBDRO O=C1CCCC2(CC[NH+]([C@@H]3CCc4ccc([N+](=O)[O-])cc4CC3)CC2)N1 ZINC001172907385 1012081414 /nfs/dbraw/zinc/08/14/14/1012081414.db2.gz KWUGWVGXRZCJKF-QGZVFWFLSA-N 1 0 357.454 2.977 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1CC[C@@H](Oc3cnccn3)C1)CC2 ZINC001172914035 1012096749 /nfs/dbraw/zinc/09/67/49/1012096749.db2.gz YCBUBEMZOWCYPQ-FUHWJXTLSA-N 1 0 354.410 2.786 20 5 FFBDRO [NH3+]Cc1ccc(-c2nnn([C@H]3CCc4ccc([N+](=O)[O-])cc4CC3)n2)cc1 ZINC001172909528 1012122710 /nfs/dbraw/zinc/12/27/10/1012122710.db2.gz SIYVRTZGDMWYGF-KRWDZBQOSA-N 1 0 364.409 2.827 20 5 FFBDRO CN1CC2(CC1=O)CC[NH+]([C@@H]1CCc3ccc([N+](=O)[O-])cc3CC1)CC2 ZINC001172911454 1012123320 /nfs/dbraw/zinc/12/33/20/1012123320.db2.gz CFUBHPKBHXPPCR-QGZVFWFLSA-N 1 0 357.454 2.787 20 5 FFBDRO COCC[N@H+](C1CCN(C)CC1)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172912304 1012126207 /nfs/dbraw/zinc/12/62/07/1012126207.db2.gz ZAEBFWGDDLWPED-GOSISDBHSA-N 1 0 361.486 2.885 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH2+][C@@H]3CCOC[C@@H]3F)CC2)c(F)c1 ZINC001173006882 1012175749 /nfs/dbraw/zinc/17/57/49/1012175749.db2.gz BMNSPQATMDPHHF-LSDHHAIUSA-N 1 0 359.348 2.558 20 5 FFBDRO CC1(C)OCC([NH2+]C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)CO1 ZINC001173007763 1012176805 /nfs/dbraw/zinc/17/68/05/1012176805.db2.gz ACQMJSNQCLMPGT-UHFFFAOYSA-N 1 0 371.384 2.583 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH2+][C@H]3CCOC[C@H]3F)CC2)c(F)c1 ZINC001173006879 1012176811 /nfs/dbraw/zinc/17/68/11/1012176811.db2.gz BMNSPQATMDPHHF-CABCVRRESA-N 1 0 359.348 2.558 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(N2CCC([N@@H+]3CC[C@H](O)[C@@H](F)CC3)CC2)c(F)c1 ZINC001173010150 1012179987 /nfs/dbraw/zinc/17/99/87/1012179987.db2.gz NCXLQIAVZKAYIZ-BBRMVZONSA-N 1 0 373.375 2.637 20 5 FFBDRO C[C@@H]1CN(C)[C@@H](C)C[N@H+]1C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173012966 1012184754 /nfs/dbraw/zinc/18/47/54/1012184754.db2.gz KPPYPELFWFNELS-QWHCGFSZSA-N 1 0 368.428 2.866 20 5 FFBDRO CCOC(=O)C1(C[NH2+][C@@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])CC1 ZINC001173178819 1012320938 /nfs/dbraw/zinc/32/09/38/1012320938.db2.gz MPLUJUJROCLVKK-NSHDSACASA-N 1 0 354.378 2.606 20 5 FFBDRO COC(=O)[C@@H]1CC[C@@H](C)[N@@H+]([C@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C1 ZINC001173180476 1012323915 /nfs/dbraw/zinc/32/39/15/1012323915.db2.gz KZVXTUDAZFPCSF-JHJVBQTASA-N 1 0 368.405 2.947 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2CCCC[C@](O)(CF)C2)c1F ZINC001173180364 1012324701 /nfs/dbraw/zinc/32/47/01/1012324701.db2.gz KDXKJIGCXIUXKB-PXAZEXFGSA-N 1 0 358.385 2.860 20 5 FFBDRO CCC1(CC[NH2+][C@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])OCCO1 ZINC001173187061 1012328291 /nfs/dbraw/zinc/32/82/91/1012328291.db2.gz WBMIANIFRQSSTH-GFCCVEGCSA-N 1 0 356.394 2.806 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2CCC[C@H](n3ccnn3)C2)c1F ZINC001173191179 1012332088 /nfs/dbraw/zinc/33/20/88/1012332088.db2.gz AVCYMOQDUJCPSB-OLZOCXBDSA-N 1 0 363.393 2.602 20 5 FFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCc1cccc(S(C)(=O)=O)c1 ZINC001173221670 1012352795 /nfs/dbraw/zinc/35/27/95/1012352795.db2.gz OLEFSSQZLYIKQF-CQSZACIVSA-N 1 0 362.451 2.762 20 5 FFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H]2C[C@H](C(=O)NC3CC3)C[C@@H]2C1 ZINC001173223173 1012355830 /nfs/dbraw/zinc/35/58/30/1012355830.db2.gz AGDCNOFDHZXTPT-DZUCGIPZSA-N 1 0 357.454 2.762 20 5 FFBDRO Cc1cc(C)nc(N2CC[NH+]([C@@H](C)Cc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC001173225970 1012361023 /nfs/dbraw/zinc/36/10/23/1012361023.db2.gz GTUIPQIIYKBIAZ-INIZCTEOSA-N 1 0 355.442 2.755 20 5 FFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(NC(=O)c2ccccn2)CC1 ZINC001173231900 1012364362 /nfs/dbraw/zinc/36/43/62/1012364362.db2.gz ORMJUZNNSMDXLD-HNNXBMFYSA-N 1 0 368.437 2.815 20 5 FFBDRO Cc1ccnc(N([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C2CC[NH2+]CC2)n1 ZINC001173232484 1012364885 /nfs/dbraw/zinc/36/48/85/1012364885.db2.gz BQERTUKJOYVFSC-HNNXBMFYSA-N 1 0 355.442 2.883 20 5 FFBDRO CC1(C[NH2+]C2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CCC1 ZINC001173691856 1012902603 /nfs/dbraw/zinc/90/26/03/1012902603.db2.gz RXRACVRKHMJWFK-UHFFFAOYSA-N 1 0 367.471 2.528 20 5 FFBDRO CN1Cc2ccccc2[C@H]1CNC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC000828490099 1032725062 /nfs/dbraw/zinc/72/50/62/1032725062.db2.gz XEVVKIFSCMRJDD-GOSISDBHSA-N 1 0 357.385 2.969 20 5 FFBDRO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000925963859 1017924459 /nfs/dbraw/zinc/92/44/59/1017924459.db2.gz WTUBHMONMDCCQX-MRXNPFEDSA-N 1 0 370.356 2.946 20 5 FFBDRO CC1(COC(=O)Cn2ccc([N+](=O)[O-])n2)CC[NH+](Cc2ccccc2)CC1 ZINC000749051414 1017988377 /nfs/dbraw/zinc/98/83/77/1017988377.db2.gz HXOZQJIWTOZERV-UHFFFAOYSA-N 1 0 372.425 2.637 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@H]2CCC3(CCOCC3)O2)n1 ZINC000927014751 1018326092 /nfs/dbraw/zinc/32/60/92/1018326092.db2.gz PEJUISUPQHNPJF-BZUAXINKSA-N 1 0 364.446 2.593 20 5 FFBDRO C[C@H]([NH2+]CCCON1C(=O)c2ccccc2C1=O)c1cccc([N+](=O)[O-])c1 ZINC000828663414 1032793495 /nfs/dbraw/zinc/79/34/95/1032793495.db2.gz HZAHCLNOWYNPRP-ZDUSSCGKSA-N 1 0 369.377 2.863 20 5 FFBDRO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1C[NH+](CCCc2cccc3ccccc32)C1 ZINC001042710484 1019118161 /nfs/dbraw/zinc/11/81/61/1019118161.db2.gz FOUUTWUNPSGDTH-WOJBJXKFSA-N 1 0 367.449 2.580 20 5 FFBDRO C[C@H]([NH2+]CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccsc1 ZINC000801570168 1019126122 /nfs/dbraw/zinc/12/61/22/1019126122.db2.gz NLPIELAFABWCIR-AWEZNQCLSA-N 1 0 374.466 2.656 20 5 FFBDRO COc1ccc(OCC[NH2+][C@H]2CCc3ccccc3OC2)c([N+](=O)[O-])c1 ZINC000801573882 1019130023 /nfs/dbraw/zinc/13/00/23/1019130023.db2.gz QGYCBQWHHJNLDS-HNNXBMFYSA-N 1 0 358.394 2.966 20 5 FFBDRO C[NH+](C)CC[C@@H](NC(=O)CSc1ccccc1[N+](=O)[O-])c1cccnc1 ZINC000928841564 1019157432 /nfs/dbraw/zinc/15/74/32/1019157432.db2.gz WPVYOKZPXTTZKE-OAHLLOKOSA-N 1 0 374.466 2.891 20 5 FFBDRO C[NH+](C)CCOc1ccc(CCC(=O)NCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000930275201 1019957888 /nfs/dbraw/zinc/95/78/88/1019957888.db2.gz JEPPPFUJVRITRQ-UHFFFAOYSA-N 1 0 371.437 2.784 20 5 FFBDRO CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[NH+](Cc2cccc3ccccc32)CC1 ZINC001045436348 1019965149 /nfs/dbraw/zinc/96/51/49/1019965149.db2.gz QBTQFJKQEPTLJA-RTBURBONSA-N 1 0 367.449 2.976 20 5 FFBDRO COc1cc(CN2CC[C@@H]([NH+](C)C)[C@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000931043912 1020296218 /nfs/dbraw/zinc/29/62/18/1020296218.db2.gz RQLOUFSPFVWZHP-DGCLKSJQSA-N 1 0 373.400 2.772 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2cnn(C[N@@H+]3CCC[C@H](C4OCCO4)C3)c2)c1 ZINC000777957022 1020330779 /nfs/dbraw/zinc/33/07/79/1020330779.db2.gz OOPZJHVKAUBSDW-HNNXBMFYSA-N 1 0 358.398 2.501 20 5 FFBDRO C[N@@H+]1CCC[C@H]2CN(Cn3cc(-c4cccc([N+](=O)[O-])c4)cn3)CC[C@H]21 ZINC000777963012 1020356954 /nfs/dbraw/zinc/35/69/54/1020356954.db2.gz FORBQYITJLOWBY-QFBILLFUSA-N 1 0 355.442 2.832 20 5 FFBDRO CCC[C@]1(C2CC2)NC(=O)N(CN(C)CCc2cccc([N+](=O)[O-])c2)C1=O ZINC000802742039 1020372119 /nfs/dbraw/zinc/37/21/19/1020372119.db2.gz YWKGPIDIUTWXHO-LJQANCHMSA-N 1 0 374.441 2.527 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(O[C@@H]2CCC[NH2+]C[C@H]2F)c(Br)c1 ZINC001217951743 1032916199 /nfs/dbraw/zinc/91/61/99/1032916199.db2.gz UVZQXJXJHLHLCM-GHMZBOCLSA-N 1 0 351.147 2.965 20 5 FFBDRO COc1cc(Br)c(O[C@@H]2C[NH2+]CCC[C@H]2F)c([N+](=O)[O-])c1 ZINC001217971414 1032924716 /nfs/dbraw/zinc/92/47/16/1032924716.db2.gz HSEFOMXVEIPVQD-ZYHUDNBSSA-N 1 0 363.183 2.835 20 5 FFBDRO COCc1ccc(CNC(=O)C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000932180937 1020734940 /nfs/dbraw/zinc/73/49/40/1020734940.db2.gz XNMBUZYQONIJKD-CQSZACIVSA-N 1 0 357.410 2.708 20 5 FFBDRO Cn1nc(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1C(F)(F)F ZINC000903341583 1020795734 /nfs/dbraw/zinc/79/57/34/1020795734.db2.gz PCJBQOVIQVBOTQ-VXGBXAGGSA-N 1 0 372.351 2.817 20 5 FFBDRO Cn1cc([C@]2(C[NH2+][C@@H](Cc3ccccc3[N+](=O)[O-])C3CC3)CCCO2)cn1 ZINC000903356133 1020802054 /nfs/dbraw/zinc/80/20/54/1020802054.db2.gz PFICLMSDVODGPN-AZUAARDMSA-N 1 0 370.453 2.945 20 5 FFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@]1(c2cnn(C)c2)CCCO1 ZINC000903360433 1020804937 /nfs/dbraw/zinc/80/49/37/1020804937.db2.gz WMEIIPURLAHVSC-SCLBCKFNSA-N 1 0 362.405 2.694 20 5 FFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@]1(c2cnn(C)c2)CCCO1 ZINC000903360431 1020805347 /nfs/dbraw/zinc/80/53/47/1020805347.db2.gz WMEIIPURLAHVSC-ACJLOTCBSA-N 1 0 362.405 2.694 20 5 FFBDRO Nc1c(C(=O)NC2CC[NH+](CC3CCCCC3)CC2)cccc1[N+](=O)[O-] ZINC000749364548 1020952726 /nfs/dbraw/zinc/95/27/26/1020952726.db2.gz XEWSNXZCNWKEJM-UHFFFAOYSA-N 1 0 360.458 2.952 20 5 FFBDRO O=C(c1ccccc1)N1CCC([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000749666563 1021018788 /nfs/dbraw/zinc/01/87/88/1021018788.db2.gz RIKYNPZXFQHIHS-LJQANCHMSA-N 1 0 369.421 2.523 20 5 FFBDRO COc1cc(CN2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000933745832 1021082633 /nfs/dbraw/zinc/08/26/33/1021082633.db2.gz OTUZNYASCHEHFS-YVEFUNNKSA-N 1 0 371.384 2.588 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(Br)c(O[C@@H]2CC[NH2+]CC[C@@H]2F)c1 ZINC001218022279 1032958240 /nfs/dbraw/zinc/95/82/40/1032958240.db2.gz GEDQKAHDHYYNAN-WCBMZHEXSA-N 1 0 351.147 2.965 20 5 FFBDRO C[C@@H]1CCN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])C[C@@H]1n1ccnc1 ZINC000934654449 1021322810 /nfs/dbraw/zinc/32/28/10/1021322810.db2.gz RXKFJJIZAFYAJO-DYVFJYSZSA-N 1 0 360.389 2.973 20 5 FFBDRO COc1cc(O[C@@H]2CC[NH2+][C@@H](C)C2)c2c(c1)oc1c(O)ccc(O)c1c2=O ZINC001218052459 1032973756 /nfs/dbraw/zinc/97/37/56/1032973756.db2.gz BJKPHNREQJSPRV-WDEREUQCSA-N 1 0 371.389 2.885 20 5 FFBDRO Cc1cccc(C2=CC[N@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)c1C ZINC000934845917 1021427517 /nfs/dbraw/zinc/42/75/17/1021427517.db2.gz ZQXLTXCXLZVMPM-SFHVURJKSA-N 1 0 356.426 2.558 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1cc(C[NH+]2CCCC2)ccc1C ZINC000934947266 1021481424 /nfs/dbraw/zinc/48/14/24/1021481424.db2.gz HQZUSLHRLBVXFW-UHFFFAOYSA-N 1 0 357.414 2.643 20 5 FFBDRO Cc1c(Br)c(O[C@H]2CCC[C@]23CC[NH2+]C3)ncc1[N+](=O)[O-] ZINC001218097960 1032991792 /nfs/dbraw/zinc/99/17/92/1032991792.db2.gz WJQFXUHNXIMRGF-SMDDNHRTSA-N 1 0 356.220 2.972 20 5 FFBDRO O=[N+]([O-])c1c(I)cccc1O[C@H]1CC[C@]12CC[NH2+]C2 ZINC001218117795 1033005791 /nfs/dbraw/zinc/00/57/91/1033005791.db2.gz MPXUKAYLUXAMCF-WCQYABFASA-N 1 0 374.178 2.720 20 5 FFBDRO C[NH+]1CCC(n2ccc(NC(=O)[C@@H]3C[C@@H]3c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000935703721 1021830896 /nfs/dbraw/zinc/83/08/96/1021830896.db2.gz WSNMBFSVNWURKH-IAGOWNOFSA-N 1 0 369.425 2.800 20 5 FFBDRO C[NH+]1CCC(n2ccc(NC(=O)[C@H]3C[C@@H]3c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000935703723 1021831492 /nfs/dbraw/zinc/83/14/92/1021831492.db2.gz WSNMBFSVNWURKH-SJORKVTESA-N 1 0 369.425 2.800 20 5 FFBDRO Cc1nc(O[C@@H]2CCC[C@@H]3C[NH2+]C[C@@H]32)c(Br)cc1[N+](=O)[O-] ZINC001218145715 1033017653 /nfs/dbraw/zinc/01/76/53/1033017653.db2.gz BGZNMNGFHQCAPE-GBIKHYSHSA-N 1 0 356.220 2.828 20 5 FFBDRO O=[N+]([O-])c1ccccc1OCCN1CCOC[C@H]1C[C@@H](O)c1ccccc1 ZINC000157762902 1022457726 /nfs/dbraw/zinc/45/77/26/1022457726.db2.gz UBHOMXKWNIPZNB-IEBWSBKVSA-N 1 0 372.421 2.798 20 5 FFBDRO O=[N+]([O-])c1ccc2c(cnn2CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000158003347 1022470741 /nfs/dbraw/zinc/47/07/41/1022470741.db2.gz RHZKAPPCNKGVBE-RDTXWAMCSA-N 1 0 355.442 2.851 20 5 FFBDRO Cn1cc([C@@H](O)C[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)cn1 ZINC000779075825 1022763962 /nfs/dbraw/zinc/76/39/62/1022763962.db2.gz ZEKIYWAWWYMYHU-RBUKOAKNSA-N 1 0 352.394 2.741 20 5 FFBDRO C[C@@H](CCNC(=O)c1cc([N+](=O)[O-])ccc1N)[N@H+](C)Cc1ccccc1 ZINC000188216917 1023041998 /nfs/dbraw/zinc/04/19/98/1023041998.db2.gz BSNLWAKEBMKZFB-AWEZNQCLSA-N 1 0 356.426 2.817 20 5 FFBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(C[C@H](N)C(=O)OCc2ccccc2)cc1 ZINC001218354544 1033120202 /nfs/dbraw/zinc/12/02/02/1033120202.db2.gz BIFAILXPUXTYSM-UTKZUKDTSA-N 1 0 371.501 2.773 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)CSc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC001120388273 1023320520 /nfs/dbraw/zinc/32/05/20/1023320520.db2.gz TWBIDZONONXKHX-IJEWVQPXSA-N 1 0 363.483 2.876 20 5 FFBDRO CCOC(=O)C1(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCC1 ZINC000753590448 1023355724 /nfs/dbraw/zinc/35/57/24/1023355724.db2.gz MSINANXLQXCCQY-UHFFFAOYSA-N 1 0 361.442 2.887 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CCc1nc2ccccc2s1 ZINC001120570805 1023365579 /nfs/dbraw/zinc/36/55/79/1023365579.db2.gz VYUKDTRLXXHNQS-CYBMUJFWSA-N 1 0 373.434 2.777 20 5 FFBDRO CCOc1cc(C[NH2+][C@H](C)[C@H]2CCCN(C(=O)OC)C2)ccc1[N+](=O)[O-] ZINC000755054977 1023560078 /nfs/dbraw/zinc/56/00/78/1023560078.db2.gz IKVNWOWQYQFSNG-HIFRSBDPSA-N 1 0 365.430 2.950 20 5 FFBDRO Cc1ccc(CCC[NH2+]C2CC3(CC(NC(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)C2)cc1 ZINC001121087485 1023598883 /nfs/dbraw/zinc/59/88/83/1023598883.db2.gz KOENDQSTCSXZPU-JGQKGBITSA-N 1 0 371.481 2.610 20 5 FFBDRO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])[C@@H]2C1 ZINC001121200893 1023646323 /nfs/dbraw/zinc/64/63/23/1023646323.db2.gz YXWALRDAPKQGHE-CYZMBNFOSA-N 1 0 369.874 2.797 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(Br)c(O[C@@H]2C[NH2+]CCC2(F)F)c1 ZINC001218452760 1033163096 /nfs/dbraw/zinc/16/30/96/1033163096.db2.gz LEPIYPQIBHIWIE-SECBINFHSA-N 1 0 355.110 2.872 20 5 FFBDRO CCn1c(-c2ccc([N+](=O)[O-])o2)nnc1N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC001121698216 1023934157 /nfs/dbraw/zinc/93/41/57/1023934157.db2.gz CVHSMZVGPNHNLK-CHWSQXEVSA-N 1 0 362.434 2.633 20 5 FFBDRO CCn1c([C@@H](C)[N+](=O)[O-])nnc1N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC001121700870 1023934596 /nfs/dbraw/zinc/93/45/96/1023934596.db2.gz ZVSKEEFDUHQURK-JKSUJKDBSA-N 1 0 372.473 2.737 20 5 FFBDRO CCn1c(-c2ccc([N+](=O)[O-])o2)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC001121791819 1024027542 /nfs/dbraw/zinc/02/75/42/1024027542.db2.gz LSVSDZFUOIXXBD-ZDUSSCGKSA-N 1 0 374.445 2.777 20 5 FFBDRO O=C(CC[N@@H+]1CC[C@@H](c2cccnc2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000829522714 1033198762 /nfs/dbraw/zinc/19/87/62/1033198762.db2.gz OEBAMYPAXGOTQU-CQSZACIVSA-N 1 0 358.373 2.947 20 5 FFBDRO [NH3+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC[C@H]1C(F)(F)F ZINC001122089446 1024332408 /nfs/dbraw/zinc/33/24/08/1024332408.db2.gz VRFUODSDYCRMPJ-FAAHXZRKSA-N 1 0 371.359 2.684 20 5 FFBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](CC[NH3+])c2ccccc21 ZINC001122191244 1024419847 /nfs/dbraw/zinc/41/98/47/1024419847.db2.gz VIMFTWPXOQRXHK-CYBMUJFWSA-N 1 0 354.410 2.754 20 5 FFBDRO O=C(CC[NH2+][C@H]1Cc2cccc(O)c2C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000759693627 1024723385 /nfs/dbraw/zinc/72/33/85/1024723385.db2.gz VLWQJBZNNDMVET-LBPRGKRZSA-N 1 0 359.357 2.525 20 5 FFBDRO CC(C)(C[NH2+]Cc1ccccc1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001101540814 1024884055 /nfs/dbraw/zinc/88/40/55/1024884055.db2.gz VLJOOXPQDVSSKJ-QZTJIDSGSA-N 1 0 359.470 2.706 20 5 FFBDRO CC(C)(NCc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-] ZINC000795219690 1025358736 /nfs/dbraw/zinc/35/87/36/1025358736.db2.gz GNOPQOAFRMBDCZ-UHFFFAOYSA-N 1 0 358.354 2.627 20 5 FFBDRO C[C@H]1CC[C@@H](NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C[NH2+]1 ZINC000638651173 1025918418 /nfs/dbraw/zinc/91/84/18/1025918418.db2.gz NRHLIZBRVWXIDZ-GXFFZTMASA-N 1 0 371.387 2.830 20 5 FFBDRO C[C@H]1CC[C@H](NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C[NH2+]1 ZINC000638651171 1025918660 /nfs/dbraw/zinc/91/86/60/1025918660.db2.gz NRHLIZBRVWXIDZ-GWCFXTLKSA-N 1 0 371.387 2.830 20 5 FFBDRO O=C(OCCC[NH+]1CCCCC1)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000838102422 1026210095 /nfs/dbraw/zinc/21/00/95/1026210095.db2.gz QRQJEHSBKKHPQW-UHFFFAOYSA-N 1 0 358.398 2.813 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@H+](Cc2ccccc2)[C@H](CO)C2CC2)c1 ZINC000246569159 1026273489 /nfs/dbraw/zinc/27/34/89/1026273489.db2.gz LVMMOPYPBKELBB-WOJBJXKFSA-N 1 0 356.422 2.901 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]CC1(CNC(=O)OC(C)(C)C)CC1 ZINC000838935697 1026541982 /nfs/dbraw/zinc/54/19/82/1026541982.db2.gz HEODSJIXFLMXJS-UHFFFAOYSA-N 1 0 365.430 2.998 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ncn(C[N@H+]3CCCC[C@@H]3[C@H]3CCC[C@H]3O)n2)cc1 ZINC000840117678 1026965735 /nfs/dbraw/zinc/96/57/35/1026965735.db2.gz WCVCOESDWYUQCK-KZNAEPCWSA-N 1 0 371.441 2.826 20 5 FFBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000247912585 1027279241 /nfs/dbraw/zinc/27/92/41/1027279241.db2.gz ALUAMKVJKPPKEB-PKOBYXMFSA-N 1 0 368.437 2.836 20 5 FFBDRO Cc1cc(NC[C@H]2O[C@H](C(C)C)O[C@@H]2C[NH3+])nc2ccc([N+](=O)[O-])cc12 ZINC001159238575 1027320502 /nfs/dbraw/zinc/32/05/02/1027320502.db2.gz OLCICIGLHHGOHO-JFIYKMOQSA-N 1 0 360.414 2.588 20 5 FFBDRO C[C@H]([NH3+])c1ncc(-c2ccccc2)n1-c1ncc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001159592158 1027438693 /nfs/dbraw/zinc/43/86/93/1027438693.db2.gz MBXDHMDPVYIEHI-JTQLQIEISA-N 1 0 354.326 2.770 20 5 FFBDRO O=[N+]([O-])c1c(Cl)nc(Cl)nc1N[C@@H]1CC[NH2+]C[C@H]1C(F)(F)F ZINC001160736777 1027845230 /nfs/dbraw/zinc/84/52/30/1027845230.db2.gz NBLGZAIRZKXCPG-RFZPGFLSSA-N 1 0 360.123 2.644 20 5 FFBDRO COc1nc(N[C@H](c2cccc(F)c2)C2CC[NH2+]CC2)ncc1[N+](=O)[O-] ZINC001161819275 1028324088 /nfs/dbraw/zinc/32/40/88/1028324088.db2.gz COYDGIJMPHKADP-HNNXBMFYSA-N 1 0 361.377 2.685 20 5 FFBDRO COc1cccc(CC2([NH3+])CCN(c3ccc([N+](=O)[O-])c(OC)n3)CC2)c1 ZINC001162045015 1028413510 /nfs/dbraw/zinc/41/35/10/1028413510.db2.gz FELHQYOOSKNCNU-UHFFFAOYSA-N 1 0 372.425 2.547 20 5 FFBDRO O=[N+]([O-])c1ccc(C(F)(F)n2cncc2C2CC[NH2+]CC2)nc1Cl ZINC001155052407 1028558368 /nfs/dbraw/zinc/55/83/68/1028558368.db2.gz BOISSKGCWICBGJ-UHFFFAOYSA-N 1 0 357.748 2.904 20 5 FFBDRO C[C@H]([NH3+])c1nc2ccccc2n1-c1cc(/C=C/N(C)C)c([N+](=O)[O-])cn1 ZINC001155257846 1028647640 /nfs/dbraw/zinc/64/76/40/1028647640.db2.gz KKLANBACULYBMP-BCPZQOPPSA-N 1 0 352.398 2.881 20 5 FFBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N2C[C@H]([NH3+])Cc3ccccc32)n1 ZINC001155297434 1028664118 /nfs/dbraw/zinc/66/41/18/1028664118.db2.gz CTXGZMYYOUOKAA-SECBINFHSA-N 1 0 351.819 2.782 20 5 FFBDRO Cc1ccc2c(c1)[C@H](Nc1cc([N+](=O)[O-])cc[n+]1[O-])CC21CC[NH2+]CC1 ZINC001155430975 1028731174 /nfs/dbraw/zinc/73/11/74/1028731174.db2.gz OCOBPHGTARWPSL-QGZVFWFLSA-N 1 0 354.410 2.715 20 5 FFBDRO O=[N+]([O-])c1c2nsnc2ccc1NC[C@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001162962631 1028735120 /nfs/dbraw/zinc/73/51/20/1028735120.db2.gz FTIVFHMTEPZOJL-LLVKDONJSA-N 1 0 363.443 2.560 20 5 FFBDRO Cc1cc(N2CCC(C3=CC=C(N)C[NH2+]3)CC2)nc2ccc([N+](=O)[O-])cc12 ZINC001163130637 1028816332 /nfs/dbraw/zinc/81/63/32/1028816332.db2.gz AZSOIJHYLRUGCA-UHFFFAOYSA-N 1 0 365.437 2.998 20 5 FFBDRO O=[N+]([O-])c1ccc(N[C@H]2CCO[C@@]3(CC[NH2+]C3)C2)nc1-c1ccccc1 ZINC001155635741 1028829694 /nfs/dbraw/zinc/82/96/94/1028829694.db2.gz LBCRYUNOZZZPHG-KXBFYZLASA-N 1 0 354.410 2.980 20 5 FFBDRO C[NH+](C)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1N)c1ccc(Cl)cc1 ZINC001155644161 1028832166 /nfs/dbraw/zinc/83/21/66/1028832166.db2.gz ZGGDKBBPFMHLRL-MRXNPFEDSA-N 1 0 362.817 2.863 20 5 FFBDRO O=C(c1cc(=S)cc2[nH]c3ccccc3nc1-2)N1CC[N@@H+]2CC[C@H]2C1 ZINC001155996105 1029006397 /nfs/dbraw/zinc/00/63/97/1029006397.db2.gz KOUAPZVUHSARBX-LBPRGKRZSA-N 1 0 350.447 2.927 20 5 FFBDRO CCOc1nc(N2CCC(C[NH3+])(c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC001164438958 1029282042 /nfs/dbraw/zinc/28/20/42/1029282042.db2.gz KPOJMNPVNXPRKN-UHFFFAOYSA-N 1 0 356.426 2.885 20 5 FFBDRO COCCC[NH+]1CCN(c2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC001165097590 1029386944 /nfs/dbraw/zinc/38/69/44/1029386944.db2.gz NMRJULBIIQFKDB-UHFFFAOYSA-N 1 0 371.441 2.519 20 5 FFBDRO CC[N@H+]([C@H]1CCOC1)C1CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC001165108651 1029395050 /nfs/dbraw/zinc/39/50/50/1029395050.db2.gz ORIQFIFCZGYSRC-AWEZNQCLSA-N 1 0 354.838 2.723 20 5 FFBDRO CC[N@H+]([C@H]1CCOC1)C1CCN(c2cnc3ccc([N+](=O)[O-])cc3n2)CC1 ZINC001165109299 1029397886 /nfs/dbraw/zinc/39/78/86/1029397886.db2.gz SQTBEYVHGORTPD-INIZCTEOSA-N 1 0 371.441 2.618 20 5 FFBDRO COc1cc(C)nc(N2CC3(CN(Cc4ccccc4)C3)C2)c1[N+](=O)[O-] ZINC001165122790 1029405494 /nfs/dbraw/zinc/40/54/94/1029405494.db2.gz PRXBETBDHCFHHU-UHFFFAOYSA-N 1 0 354.410 2.629 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(N2CCC(C)([NH+]3CCOCC3)CC2)nc1Cl ZINC001165134778 1029415190 /nfs/dbraw/zinc/41/51/90/1029415190.db2.gz MCCJEGRRSNRXIZ-UHFFFAOYSA-N 1 0 354.838 2.643 20 5 FFBDRO Nc1cc(N2CCC([N@@H+]3CCc4ccccc4C3)CC2)ncc1[N+](=O)[O-] ZINC001165150801 1029423530 /nfs/dbraw/zinc/42/35/30/1029423530.db2.gz PVOZLZWLDVIFHS-UHFFFAOYSA-N 1 0 353.426 2.599 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2noc([C@]3(O)CC[N@H+](Cc4ccccc4)C3)n2)cc1 ZINC000782226194 1029617417 /nfs/dbraw/zinc/61/74/17/1029617417.db2.gz HGGCRZKMJJGUOW-IBGZPJMESA-N 1 0 366.377 2.738 20 5 FFBDRO COc1cc2ncnc(N3CC[NH2+][C@H](c4ccccc4)C3)c2cc1[N+](=O)[O-] ZINC001157765451 1029658137 /nfs/dbraw/zinc/65/81/37/1029658137.db2.gz RYYPPQITMYDUII-INIZCTEOSA-N 1 0 365.393 2.698 20 5 FFBDRO COc1cccc(N(c2nc(C)cc(OC)c2[N+](=O)[O-])C2CC[NH2+]CC2)n1 ZINC001158054678 1029720638 /nfs/dbraw/zinc/72/06/38/1029720638.db2.gz ZSSZASKZXJETNW-UHFFFAOYSA-N 1 0 373.413 2.601 20 5 FFBDRO COc1ccc(CN(c2cc([N+](=O)[O-])cc[n+]2[O-])[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001158156384 1029747086 /nfs/dbraw/zinc/74/70/86/1029747086.db2.gz SBENQRCNYJHBMD-WKILWMFISA-N 1 0 372.425 2.513 20 5 FFBDRO Cc1cc(N(c2ncc(Cl)cc2[N+](=O)[O-])C2CC[NH2+]CC2)nc(C)n1 ZINC001158387630 1029816524 /nfs/dbraw/zinc/81/65/24/1029816524.db2.gz GNHBUHQHXLGVRY-UHFFFAOYSA-N 1 0 362.821 2.940 20 5 FFBDRO COc1nc(N2CCC3(CC[NH2+]CC3)[C@@H]2C(F)(F)F)ccc1[N+](=O)[O-] ZINC001165264541 1029920515 /nfs/dbraw/zinc/92/05/15/1029920515.db2.gz GBTNRXZBMWLYJV-CYBMUJFWSA-N 1 0 360.336 2.509 20 5 FFBDRO O=[N+]([O-])c1cnc(Cl)nc1N1CCC2(CC[NH2+]CC2)[C@@H]1C(F)(F)F ZINC001165266031 1029921925 /nfs/dbraw/zinc/92/19/25/1029921925.db2.gz XXPAOTQLTSNHFE-SNVBAGLBSA-N 1 0 365.743 2.549 20 5 FFBDRO COc1cc(C)nc(N2[C@@H](C(F)(F)F)CCC23CC[NH2+]CC3)c1[N+](=O)[O-] ZINC001165304786 1029939404 /nfs/dbraw/zinc/93/94/04/1029939404.db2.gz RWUGPSGCSPYUBT-GFCCVEGCSA-N 1 0 374.363 2.960 20 5 FFBDRO CSc1nc(Cl)nc(N2CCCCC23CC[NH2+]CC3)c1[N+](=O)[O-] ZINC001165339549 1029949710 /nfs/dbraw/zinc/94/97/10/1029949710.db2.gz ZMVFOKAHJPCRID-UHFFFAOYSA-N 1 0 357.867 2.873 20 5 FFBDRO Cc1nc(Cl)nc(N2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)c1[N+](=O)[O-] ZINC001165418546 1029973811 /nfs/dbraw/zinc/97/38/11/1029973811.db2.gz YYLXAMPEGMWBFL-KDOFPFPSSA-N 1 0 373.844 2.930 20 5 FFBDRO [NH3+]C1([C@H]2CN(c3cc4ncnc(Cl)c4cc3[N+](=O)[O-])C[C@H]2CF)CC1 ZINC001165428225 1029978154 /nfs/dbraw/zinc/97/81/54/1029978154.db2.gz AFRHGWCSYXBHHZ-KOLCDFICSA-N 1 0 365.796 2.705 20 5 FFBDRO O=C(Nc1ccc2c(c1)C[NH2+]C2)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000841332385 1030205219 /nfs/dbraw/zinc/20/52/19/1030205219.db2.gz OAJUDRLHRZGYAT-UHFFFAOYSA-N 1 0 367.409 2.552 20 5 FFBDRO Cc1c([N+](=O)[O-])cc(C(=O)N(C)C(C)(C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000841366448 1030228117 /nfs/dbraw/zinc/22/81/17/1030228117.db2.gz CDUHOYHDHZYXNL-UHFFFAOYSA-N 1 0 364.402 2.758 20 5 FFBDRO [NH3+]CCc1nccn1-c1c2ccc(Br)cc2ncc1[N+](=O)[O-] ZINC001166351831 1030377793 /nfs/dbraw/zinc/37/77/93/1030377793.db2.gz UFVJDXJUKCPOTL-UHFFFAOYSA-N 1 0 362.187 2.592 20 5 FFBDRO C[C@@H]1C[N@H+](CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)CC(C)(C)C1 ZINC000784008239 1030411998 /nfs/dbraw/zinc/41/19/98/1030411998.db2.gz MWXRFUBNROXTOO-ZDUSSCGKSA-N 1 0 360.414 2.689 20 5 FFBDRO N=c1nc([C@@H]2CCC[NH2+]2)ccn1-c1cc2ccc(Cl)nc2cc1[N+](=O)[O-] ZINC001166702789 1030486227 /nfs/dbraw/zinc/48/62/27/1030486227.db2.gz SPZZDVFTWGQTJW-NSHDSACASA-N 1 0 370.800 2.886 20 5 FFBDRO N=c1nc([C@H]2CCC[NH2+]2)ccn1-c1cc2ccc(Cl)nc2cc1[N+](=O)[O-] ZINC001166702787 1030486945 /nfs/dbraw/zinc/48/69/45/1030486945.db2.gz SPZZDVFTWGQTJW-LLVKDONJSA-N 1 0 370.800 2.886 20 5 FFBDRO [NH3+]CCc1ccc(CNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000841927377 1030547747 /nfs/dbraw/zinc/54/77/47/1030547747.db2.gz JRYPZRHTWICXOU-UHFFFAOYSA-N 1 0 368.437 2.970 20 5 FFBDRO Cc1cc(C[NH2+][C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)ccc1Cl ZINC001203584651 1030771592 /nfs/dbraw/zinc/77/15/92/1030771592.db2.gz YXSCLNIMZVKTLS-IAGOWNOFSA-N 1 0 350.802 2.741 20 5 FFBDRO O=[N+]([O-])c1cn(C[N@@H+]2CCC[C@@H]2[C@H]2CCCOC2)nc1-c1ccncc1 ZINC000842620352 1030834413 /nfs/dbraw/zinc/83/44/13/1030834413.db2.gz ZZKCNXDMRPBSTA-JKSUJKDBSA-N 1 0 357.414 2.702 20 5 FFBDRO CN(c1ccccc1)c1ccc(C[NH2+][C@]2(C)CCNC2=O)cc1[N+](=O)[O-] ZINC001203830917 1030915187 /nfs/dbraw/zinc/91/51/87/1030915187.db2.gz QPHIWUHJVMOEIZ-LJQANCHMSA-N 1 0 354.410 2.731 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(Cc2noc(C[C@@H](C)[C@@H]3CCC[NH2+]C3)n2)c1 ZINC000843222214 1031253731 /nfs/dbraw/zinc/25/37/31/1031253731.db2.gz DXERMQUMVFMPNH-CHWSQXEVSA-N 1 0 360.414 2.755 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]C1CCC2(CS(=O)(=O)C2)CC1 ZINC001205007221 1031484686 /nfs/dbraw/zinc/48/46/86/1031484686.db2.gz GGTWMIJXQBYEKX-UHFFFAOYSA-N 1 0 372.874 2.738 20 5 FFBDRO N[C@@H](C[NH3+])c1ccc(C(=O)Nc2cc3cccnc3c3ncccc23)cc1 ZINC001218980021 1033441717 /nfs/dbraw/zinc/44/17/17/1033441717.db2.gz PQJPJZQCRGFMGZ-KRWDZBQOSA-N 1 0 357.417 2.994 20 5 FFBDRO Cn1cnc(CCNC(=O)[C@@H]([NH3+])Cc2c3ccccc3cc3ccccc32)c1 ZINC001219633783 1033723993 /nfs/dbraw/zinc/72/39/93/1033723993.db2.gz DXBUHVPXTAVKEU-QFIPXVFZSA-N 1 0 372.472 2.955 20 5 FFBDRO COCCC[NH+]1CCC(Oc2c([N+](=O)[O-])cc(F)cc2[N+](=O)[O-])CC1 ZINC001225895346 1034441094 /nfs/dbraw/zinc/44/10/94/1034441094.db2.gz SXGRFQGUQXSAKQ-UHFFFAOYSA-N 1 0 357.338 2.522 20 5 FFBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cc(C(F)(F)F)cc(Cl)c1F ZINC001225909512 1034447370 /nfs/dbraw/zinc/44/73/70/1034447370.db2.gz DMSOVGGLPUFVRN-SECBINFHSA-N 1 0 358.739 2.861 20 5 FFBDRO Cc1ccc2nc(C(F)(F)F)cc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c2c1 ZINC001225953784 1034467416 /nfs/dbraw/zinc/46/74/16/1034467416.db2.gz OVCROGKKVNVJTJ-GFCCVEGCSA-N 1 0 371.379 2.925 20 5 FFBDRO C[C@@H](C[NH+](C)C)Oc1ccccc1C(=O)Nc1ncc([N+](=O)[O-])s1 ZINC001227514944 1035592812 /nfs/dbraw/zinc/59/28/12/1035592812.db2.gz FRSUPDIQJIGQSG-JTQLQIEISA-N 1 0 350.400 2.633 20 5 FFBDRO COC(=O)c1cccc(OC2CCN(c3cc[nH+]cc3)CC2)c1[N+](=O)[O-] ZINC001227893659 1035790439 /nfs/dbraw/zinc/79/04/39/1035790439.db2.gz GXTLYIJRCCNRMB-UHFFFAOYSA-N 1 0 357.366 2.824 20 5 FFBDRO C[C@H](C[NH+](C)C)Oc1ccc([N+](=O)[O-])c(I)c1 ZINC001227992644 1035857376 /nfs/dbraw/zinc/85/73/76/1035857376.db2.gz VLUWRNPFABNODX-MRVPVSSYSA-N 1 0 350.156 2.528 20 5 FFBDRO COc1cc(C(=O)OCC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c([N+](=O)[O-])cc1OC ZINC000835599094 1035898512 /nfs/dbraw/zinc/89/85/12/1035898512.db2.gz XLBPYZGVOBOVSJ-YHWZYXNKSA-N 1 0 364.398 2.642 20 5 FFBDRO COC(=O)c1cc(O[C@@H]2CC[N@@H+]([C@@H](C)c3ccccn3)C2)cc([N+](=O)[O-])c1 ZINC001228772460 1036316485 /nfs/dbraw/zinc/31/64/85/1036316485.db2.gz WXKKDVXBHQWISL-XJKSGUPXSA-N 1 0 371.393 2.991 20 5 FFBDRO C[NH+]1CCC2(CC[C@@H](COc3c4ccccc4oc(=O)c3[N+](=O)[O-])O2)CC1 ZINC001228802461 1036334217 /nfs/dbraw/zinc/33/42/17/1036334217.db2.gz LFBNUGFACAYQSR-ZDUSSCGKSA-N 1 0 374.393 2.723 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])ccc1O[C@@H]1CC[N@@H+]([C@H](C)c2ccccn2)C1 ZINC001229058667 1036477876 /nfs/dbraw/zinc/47/78/76/1036477876.db2.gz BYMNFRAQLCFWQX-UKRRQHHQSA-N 1 0 371.393 2.991 20 5 FFBDRO COC(=O)c1cnc(OC2CC(C)(C)[NH+](C)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC001233860555 1036793736 /nfs/dbraw/zinc/79/37/36/1036793736.db2.gz BEWMNMNOINCNOH-UHFFFAOYSA-N 1 0 351.403 2.807 20 5 FFBDRO C[C@@H](NC(=O)Nc1cnn(C2CC[NH+](C)CC2)c1)c1ccc([N+](=O)[O-])cc1 ZINC001208323120 1038214246 /nfs/dbraw/zinc/21/42/46/1038214246.db2.gz UFKKMRAFUQPLAO-CYBMUJFWSA-N 1 0 372.429 2.941 20 5 FFBDRO COc1cc(N2CCC([NH2+]Cc3ncccc3F)CC2)ccc1[N+](=O)[O-] ZINC001256082805 1038366406 /nfs/dbraw/zinc/36/64/06/1038366406.db2.gz KGBSWHWMRPOWOZ-UHFFFAOYSA-N 1 0 360.389 2.896 20 5 FFBDRO COc1cc(N2CCC([NH2+]CCOC(F)(F)F)CC2)ccc1[N+](=O)[O-] ZINC001256087010 1038370962 /nfs/dbraw/zinc/37/09/62/1038370962.db2.gz LQKNIUWHRJMOJF-UHFFFAOYSA-N 1 0 363.336 2.698 20 5 FFBDRO CCn1ccc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])c(OC)c3)CC2)n1 ZINC001256086937 1038371219 /nfs/dbraw/zinc/37/12/19/1038371219.db2.gz IZRFDLUYIDAAQI-UHFFFAOYSA-N 1 0 359.430 2.578 20 5 FFBDRO COc1cc(N2CCC([NH2+]Cc3cccnc3F)CC2)ccc1[N+](=O)[O-] ZINC001256086882 1038371286 /nfs/dbraw/zinc/37/12/86/1038371286.db2.gz GYZOQIJMQNNQFF-UHFFFAOYSA-N 1 0 360.389 2.896 20 5 FFBDRO COc1cc(N2CCC([NH2+]C3(c4cccnn4)CC3)CC2)ccc1[N+](=O)[O-] ZINC001256088022 1038373372 /nfs/dbraw/zinc/37/33/72/1038373372.db2.gz VCWOVBLZRFBSTP-UHFFFAOYSA-N 1 0 369.425 2.641 20 5 FFBDRO COc1cc(N2CCC([N@@H+]3CCOC[C@H]3C3CC3)CC2)ccc1[N+](=O)[O-] ZINC001256101494 1038388032 /nfs/dbraw/zinc/38/80/32/1038388032.db2.gz LAEBJOJWGQMDMB-SFHVURJKSA-N 1 0 361.442 2.683 20 5 FFBDRO C[C@@H]1C[NH+](CCc2nnc(-c3c(F)ccc([N+](=O)[O-])c3F)o2)C[C@@H](C)O1 ZINC001258136394 1039212940 /nfs/dbraw/zinc/21/29/40/1039212940.db2.gz AWJJVSUPTUEKQD-NXEZZACHSA-N 1 0 368.340 2.575 20 5 FFBDRO C[C@@H]1C[C@H](NCCCNC(=O)c2c3ccccc3nc3ccccc32)C[NH2+]1 ZINC001246485935 1039367800 /nfs/dbraw/zinc/36/78/00/1039367800.db2.gz XDMIQLRENUWDEE-CVEARBPZSA-N 1 0 362.477 2.848 20 5 FFBDRO COc1cc(N2CCC([N@@H+]3C[C@@H](C)CC[C@@H]3CN)CC2)ccc1[N+](=O)[O-] ZINC001246555915 1039395813 /nfs/dbraw/zinc/39/58/13/1039395813.db2.gz INGQHGQDNATJBQ-WMLDXEAASA-N 1 0 362.474 2.631 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CC[C@@]3(C2)CCC[NH2+]C3)c1F ZINC001246600006 1039411287 /nfs/dbraw/zinc/41/12/87/1039411287.db2.gz CNTAXULRMWHZGN-ACJLOTCBSA-N 1 0 351.422 2.749 20 5 FFBDRO O=[N+]([O-])c1cccc(Nc2ccc(N3CC[NH+](CCO)CC3)cc2)c1F ZINC001210384482 1039515241 /nfs/dbraw/zinc/51/52/41/1039515241.db2.gz ONGGQUXXYIZZLQ-UHFFFAOYSA-N 1 0 360.389 2.592 20 5 FFBDRO COc1cc(OC)cc(-c2noc(C[C@@H]([NH3+])c3ccc([N+](=O)[O-])cc3)n2)c1 ZINC001249341803 1040692200 /nfs/dbraw/zinc/69/22/00/1040692200.db2.gz BKTICSBBATZYPX-MRXNPFEDSA-N 1 0 370.365 2.905 20 5 FFBDRO COC(=O)c1ccnc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC001254465515 1040734547 /nfs/dbraw/zinc/73/45/47/1040734547.db2.gz AJBRLVCQTKEEET-UHFFFAOYSA-N 1 0 370.409 2.535 20 5 FFBDRO COC(=O)[C@H]1CCC[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)[C@@H]1C ZINC001254479692 1040745139 /nfs/dbraw/zinc/74/51/39/1040745139.db2.gz HWLIDPOPHJSTBW-KDOFPFPSSA-N 1 0 361.442 2.837 20 5 FFBDRO CN1C(=O)CC[C@@H]2C[N@H+](C3CCN(c4ccc([N+](=O)[O-])cc4)CC3)CC[C@@H]21 ZINC001254481304 1040747710 /nfs/dbraw/zinc/74/77/10/1040747710.db2.gz AQQZMDUUFJKLLF-BEFAXECRSA-N 1 0 372.469 2.506 20 5 FFBDRO O=C1CC[C@]2(CCC[N@@H+](C3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C2)O1 ZINC001254481090 1040748388 /nfs/dbraw/zinc/74/83/88/1040748388.db2.gz RKDXBNUKDREEEK-IBGZPJMESA-N 1 0 359.426 2.735 20 5 FFBDRO CCN(C(C)=O)C1CC[NH+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001254483873 1040750289 /nfs/dbraw/zinc/75/02/89/1040750289.db2.gz YIDYATWSZZRXFP-UHFFFAOYSA-N 1 0 374.485 2.896 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CCN(C(=O)C(F)(F)F)CC1 ZINC001254550574 1040793251 /nfs/dbraw/zinc/79/32/51/1040793251.db2.gz MAJHQJOEOWYGBN-LLVKDONJSA-N 1 0 359.348 2.669 20 5 FFBDRO CC(C)NC(=O)c1noc2c1CN([C@@H](C)Cc1ccccc1[N+](=O)[O-])CC2 ZINC001254562122 1040798761 /nfs/dbraw/zinc/79/87/61/1040798761.db2.gz JRNMPSYYLSUULN-ZDUSSCGKSA-N 1 0 372.425 2.710 20 5 FFBDRO COC(=O)c1cnc2c(c1)C[N@H+]([C@H](C)Cc1ccccc1[N+](=O)[O-])CC2 ZINC001254570659 1040809079 /nfs/dbraw/zinc/80/90/79/1040809079.db2.gz PHIKDFJYTLIFKM-CYBMUJFWSA-N 1 0 355.394 2.766 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]CC1CCN(c3ccccn3)CC1)C2 ZINC001254578377 1040812178 /nfs/dbraw/zinc/81/21/78/1040812178.db2.gz KPCLXYBODQWPDV-GOSISDBHSA-N 1 0 352.438 2.963 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CCCN(c3ccc(F)cn3)CC1)C2 ZINC001254595970 1040824124 /nfs/dbraw/zinc/82/41/24/1040824124.db2.gz AORXEWLIIYQSTL-SFHVURJKSA-N 1 0 356.401 2.808 20 5 FFBDRO CC(C)(C)OC(=O)N[C@H]1[C@H]2C[N@@H+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@H]21 ZINC001254595676 1040824649 /nfs/dbraw/zinc/82/46/49/1040824649.db2.gz XXSSWIDLHLTGIE-NXOAAHMSSA-N 1 0 359.426 2.517 20 5 FFBDRO COCC[C@@H]1CO[C@]2(C1)CCC[N@@H+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254595269 1040824839 /nfs/dbraw/zinc/82/48/39/1040824839.db2.gz HZNKYTAZIFEJHK-YSSFQJQWSA-N 1 0 360.454 2.970 20 5 FFBDRO COc1cc(O[C@H]2CC[N@@H+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)ccn1 ZINC001254605393 1040834780 /nfs/dbraw/zinc/83/47/80/1040834780.db2.gz BNQXGHOGWQDNMU-WMZOPIPTSA-N 1 0 355.394 2.619 20 5 FFBDRO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cc(C(F)(F)F)ccc3[N+](=O)[O-])[C@@H]2C1 ZINC001262826547 1041880956 /nfs/dbraw/zinc/88/09/56/1041880956.db2.gz MCTONCAHEVUKKL-BIMULSAOSA-N 1 0 357.332 2.684 20 5 FFBDRO CCn1c([C@@H](C)[N+](=O)[O-])nnc1N1CCC[N@H+](CC2CCCCC2)CC1 ZINC001263021037 1042039516 /nfs/dbraw/zinc/03/95/16/1042039516.db2.gz JIIGWJJKRLONOU-OAHLLOKOSA-N 1 0 364.494 2.728 20 5 FFBDRO Cc1c(-c2nc(-c3ccc4c(n3)CC[NH2+]C4)no2)cc(F)cc1[N+](=O)[O-] ZINC001216902505 1042159855 /nfs/dbraw/zinc/15/98/55/1042159855.db2.gz NBCOBWWTCOZNIW-UHFFFAOYSA-N 1 0 355.329 2.800 20 5 FFBDRO C[NH+](C)Cc1ccc(-c2noc(-c3ccc(CO)c([N+](=O)[O-])c3)n2)cc1 ZINC001216915300 1042162744 /nfs/dbraw/zinc/16/27/44/1042162744.db2.gz GIWOQNKQSKQMCI-UHFFFAOYSA-N 1 0 354.366 2.866 20 5 FFBDRO CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC001538547510 1070450544 /nfs/dbraw/zinc/45/05/44/1070450544.db2.gz ZECRQIFHYPLJTI-KRWDZBQOSA-N 1 0 358.442 2.738 20 5 FFBDRO CN(C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)C1CC[NH+](C)CC1 ZINC001310159145 1043645495 /nfs/dbraw/zinc/64/54/95/1043645495.db2.gz CQECSXPXJRYHMU-UHFFFAOYSA-N 1 0 358.345 2.754 20 5 FFBDRO C[NH+]1CCC(n2cc(NC(=O)Nc3ccc(F)c([N+](=O)[O-])c3)cn2)CC1 ZINC001310797978 1043743191 /nfs/dbraw/zinc/74/31/91/1043743191.db2.gz UJQVDJXQHZGNHG-UHFFFAOYSA-N 1 0 362.365 2.841 20 5 FFBDRO C[NH+]1CCN(c2ccccc2C(=O)OCc2cccc([N+](=O)[O-])c2)CC1 ZINC001318269797 1045258322 /nfs/dbraw/zinc/25/83/22/1045258322.db2.gz YTRRNDMVBFRRHE-UHFFFAOYSA-N 1 0 355.394 2.704 20 5 FFBDRO Cc1cc(NC[C@H](CO)CC2CCOCC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC001322013904 1045913575 /nfs/dbraw/zinc/91/35/75/1045913575.db2.gz PFVVYSAZEPSVER-OAHLLOKOSA-N 1 0 359.426 2.710 20 5 FFBDRO O=C(NC1(C[NH2+]Cc2ccc3cc[nH]c3c2)CCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001282608191 1045955853 /nfs/dbraw/zinc/95/58/53/1045955853.db2.gz XYIWIQYGUJFJJL-SJLPKXTDSA-N 1 0 370.453 2.742 20 5 FFBDRO COc1ccccc1[C@@H](CNc1c(C)cncc1[N+](=O)[O-])[NH+]1CCCC1 ZINC001322465113 1046094059 /nfs/dbraw/zinc/09/40/59/1046094059.db2.gz IFWUKLMYXIMWFN-MRXNPFEDSA-N 1 0 356.426 2.978 20 5 FFBDRO Cn1ccnc1C(=O)c1ccc(N[C@H]2CCCC[C@H]2[NH+](C)C)c([N+](=O)[O-])c1 ZINC001322680134 1046177953 /nfs/dbraw/zinc/17/79/53/1046177953.db2.gz FKSWBGSVHJCWAV-GOEBONIOSA-N 1 0 371.441 2.844 20 5 FFBDRO CC[N@@H+]1CCC[C@@H](CN[C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C1 ZINC001325874436 1046670636 /nfs/dbraw/zinc/67/06/36/1046670636.db2.gz PSSGMDGXGFYNIE-YJBOKZPZSA-N 1 0 357.458 2.739 20 5 FFBDRO CCC[NH+]1CCC(NC(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)CC1 ZINC001540487543 1070904679 /nfs/dbraw/zinc/90/46/79/1070904679.db2.gz DDFJXZPTSUJAIZ-UHFFFAOYSA-N 1 0 356.426 2.934 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CCC([NH2+]C2CCOCC2)CC1 ZINC001331579208 1048018269 /nfs/dbraw/zinc/01/82/69/1048018269.db2.gz ILVORJQEXPLLGJ-UHFFFAOYSA-N 1 0 363.458 2.727 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(N3CC[NH+](C)CC3)nc2)c1C ZINC001331733319 1048086470 /nfs/dbraw/zinc/08/64/70/1048086470.db2.gz JHKCUDNMGFDPQK-UHFFFAOYSA-N 1 0 369.425 2.611 20 5 FFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@@H]3C[C@H](O)CC[C@@H]3C2)c(Br)c1 ZINC001327896113 1048087277 /nfs/dbraw/zinc/08/72/77/1048087277.db2.gz AFBYQUGTDINDSN-SCDSUCTJSA-N 1 0 355.232 2.950 20 5 FFBDRO COc1ccc(CC[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)cn1 ZINC001328700580 1048426767 /nfs/dbraw/zinc/42/67/67/1048426767.db2.gz RQOYKSGJPYVGJV-UHFFFAOYSA-N 1 0 353.325 2.932 20 5 FFBDRO O=C(Nc1ccc2c(c1)OCC[NH2+]C2)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001328973345 1048538200 /nfs/dbraw/zinc/53/82/00/1048538200.db2.gz QTZXZYZWMSSXMD-UHFFFAOYSA-N 1 0 368.393 2.667 20 5 FFBDRO C[C@@H](CNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N)C[NH+]1CCCCC1 ZINC001291849837 1048947628 /nfs/dbraw/zinc/94/76/28/1048947628.db2.gz LLNURSTWWXLQCP-JTQLQIEISA-N 1 0 372.828 2.821 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@H]2CN(c3ccc(C(=O)NC4CC4)cc3[N+](=O)[O-])C[C@@H]2C1 ZINC001333824741 1049132879 /nfs/dbraw/zinc/13/28/79/1049132879.db2.gz BXDLGVPDNCOHQQ-YQQAZPJKSA-N 1 0 372.469 2.654 20 5 FFBDRO COC(=O)c1cc(NC(=O)[C@H](CC(C)C)n2ccnc2)cc([N+](=O)[O-])c1 ZINC001293928911 1049654401 /nfs/dbraw/zinc/65/44/01/1049654401.db2.gz SZCOAKDSBVXKOQ-HNNXBMFYSA-N 1 0 360.370 2.804 20 5 FFBDRO Cc1c(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)ccc2c[nH+]cn21 ZINC001341889338 1050491142 /nfs/dbraw/zinc/49/11/42/1050491142.db2.gz AVMHOOXNMUDZLU-UHFFFAOYSA-N 1 0 365.393 2.513 20 5 FFBDRO CCn1c(-c2c[nH]c([N+](=O)[O-])c2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001340187589 1050593273 /nfs/dbraw/zinc/59/32/73/1050593273.db2.gz OYFJNZLIDNPTRQ-UHFFFAOYSA-N 1 0 361.450 2.512 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)NCc2ccc(Nc3cc[nH+]cc3)cc2)n1 ZINC001301598065 1050931277 /nfs/dbraw/zinc/93/12/77/1050931277.db2.gz PAXGSQZMUBZPBH-UHFFFAOYSA-N 1 0 363.377 2.789 20 5 FFBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC001342676362 1051287088 /nfs/dbraw/zinc/28/70/88/1051287088.db2.gz ZWOKLNZLPDQEKY-GDBMZVCRSA-N 1 0 355.797 2.578 20 5 FFBDRO O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCCC[C@]12CCOC2 ZINC001341014564 1051351063 /nfs/dbraw/zinc/35/10/63/1051351063.db2.gz HWNDZGWMUGOACE-GOSISDBHSA-N 1 0 356.382 2.566 20 5 FFBDRO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCCC[C@]12CCC[NH2+]C2 ZINC001342899445 1051508968 /nfs/dbraw/zinc/50/89/68/1051508968.db2.gz XCOBPAVVEKDLCL-LJQANCHMSA-N 1 0 358.442 2.917 20 5 FFBDRO C[C@@H](CNC(=O)[C@]1(c2ccccc2)CC[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC001342946027 1051560271 /nfs/dbraw/zinc/56/02/71/1051560271.db2.gz YTVMDSZZACIHFD-MGPUTAFESA-N 1 0 353.422 2.746 20 5 FFBDRO CC(C)Cn1c(-c2ccc([N+](=O)[O-])o2)nnc1N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC001342989089 1051605242 /nfs/dbraw/zinc/60/52/42/1051605242.db2.gz VPVVEIQODFYXKR-KGLIPLIRSA-N 1 0 374.445 2.633 20 5 FFBDRO CCN(c1nnc([C@H](C)[N+](=O)[O-])n1C)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001341358506 1051718167 /nfs/dbraw/zinc/71/81/67/1051718167.db2.gz HAPLULUUIGCPAP-YQQAZPJKSA-N 1 0 372.473 2.815 20 5 FFBDRO O=C(NC1(C2CC[NH2+]CC2)CC1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001341402521 1051761152 /nfs/dbraw/zinc/76/11/52/1051761152.db2.gz CDWISEQNRQQHIR-UHFFFAOYSA-N 1 0 372.450 2.980 20 5 FFBDRO CC(C)[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC001305228137 1051839923 /nfs/dbraw/zinc/83/99/23/1051839923.db2.gz XMNDZOZUTTYPKP-VQIMIIECSA-N 1 0 374.485 2.752 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(C[NH2+][C@H](CO)C2CCCC2)o1 ZINC001307820391 1052353659 /nfs/dbraw/zinc/35/36/59/1052353659.db2.gz VFJQHCSVKXRIRO-CYBMUJFWSA-N 1 0 366.805 2.939 20 5 FFBDRO C[C@H]1CCCC[C@]1(C)[NH2+]CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001307825498 1052354810 /nfs/dbraw/zinc/35/48/10/1052354810.db2.gz KZKCIHNWERIFFU-JXFKEZNVSA-N 1 0 374.485 2.802 20 5 FFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC001308088608 1052403345 /nfs/dbraw/zinc/40/33/45/1052403345.db2.gz HQQOPGRXDJYSGE-LSDHHAIUSA-N 1 0 369.425 2.528 20 5 FFBDRO COc1ccc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001345745511 1052597972 /nfs/dbraw/zinc/59/79/72/1052597972.db2.gz LDGKRACACROXLV-HNNXBMFYSA-N 1 0 370.409 2.999 20 5 FFBDRO C[C@](O)(C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1Cl ZINC001335412613 1053345728 /nfs/dbraw/zinc/34/57/28/1053345728.db2.gz PYWBMHJFXLPZDO-SJORKVTESA-N 1 0 350.802 2.779 20 5 FFBDRO Cn1ccnc1[C@H](Cc1ccccc1)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001335413966 1053346493 /nfs/dbraw/zinc/34/64/93/1053346493.db2.gz UFSBUZCURSOZIP-OALUTQOASA-N 1 0 366.421 2.935 20 5 FFBDRO Cc1cccc(C)c1NC(=O)C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001335896234 1053628850 /nfs/dbraw/zinc/62/88/50/1053628850.db2.gz DZRAZJNCLNXLBF-UHFFFAOYSA-N 1 0 370.409 2.769 20 5 FFBDRO O=C1C[C@@H](Oc2ccc([N+](=O)[O-])cc2)N1CN1CCC[C@H](CCF)C1 ZINC001347239000 1053747249 /nfs/dbraw/zinc/74/72/49/1053747249.db2.gz TWKOMCRUXTUNNF-CXAGYDPISA-N 1 0 351.378 2.561 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)Nc3ccc([N+](=O)[O-])cc3F)C[C@H]2C1 ZINC001336273968 1053890566 /nfs/dbraw/zinc/89/05/66/1053890566.db2.gz ZBVUBBSQKCNRCI-YNEHKIRRSA-N 1 0 350.394 2.928 20 5 FFBDRO CC[N@@H+]1CCC[C@H](CNC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)C1 ZINC001347390475 1053926569 /nfs/dbraw/zinc/92/65/69/1053926569.db2.gz DWUIOQWBTSYGBD-SNVBAGLBSA-N 1 0 355.826 2.684 20 5 FFBDRO Cc1nc(C2CC[NH2+]CC2)sc1C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001336722493 1054166037 /nfs/dbraw/zinc/16/60/37/1054166037.db2.gz VWWLPDNGLSDGOQ-UHFFFAOYSA-N 1 0 372.450 2.983 20 5 FFBDRO C[C@@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cn1 ZINC001336815209 1054251036 /nfs/dbraw/zinc/25/10/36/1054251036.db2.gz ZHBVHGVSMCPBQT-BXUZGUMPSA-N 1 0 351.790 2.734 20 5 FFBDRO COc1cccc([C@@H]2C[NH2+]CCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC001337034636 1054427275 /nfs/dbraw/zinc/42/72/75/1054427275.db2.gz BPEBRHBZAXOMGS-SFHVURJKSA-N 1 0 355.394 2.699 20 5 FFBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)c3cccc(F)c3)c2)CC1 ZINC001337579724 1054863243 /nfs/dbraw/zinc/86/32/43/1054863243.db2.gz JSZMZJKUDUNDLZ-UHFFFAOYSA-N 1 0 358.373 2.738 20 5 FFBDRO CCOc1ccc(C(=O)N2C[C@]34C[N@H+](C)C[C@@]3(C2)CCCC4)cc1[N+](=O)[O-] ZINC001337619722 1054898785 /nfs/dbraw/zinc/89/87/85/1054898785.db2.gz VURVEPOPOXHWIJ-BGYRXZFFSA-N 1 0 373.453 2.942 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)CCNc3ccccc3[N+](=O)[O-])C[C@H]2C1 ZINC001352184611 1055256963 /nfs/dbraw/zinc/25/69/63/1055256963.db2.gz VUIADWXWFWVROO-ARFHVFGLSA-N 1 0 360.458 2.586 20 5 FFBDRO CCn1c([C@@H](C)[N+](=O)[O-])nnc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001356350971 1055467755 /nfs/dbraw/zinc/46/77/55/1055467755.db2.gz GLXPKRRILVMRPY-OAHLLOKOSA-N 1 0 364.494 2.728 20 5 FFBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)/C=C\c3ccco3)c2)CC1 ZINC001349895851 1055527659 /nfs/dbraw/zinc/52/76/59/1055527659.db2.gz GQRROYSEJUFBIP-ALCCZGGFSA-N 1 0 356.382 2.592 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)c3cc(F)c(F)cc3[N+](=O)[O-])C[C@H]2C1 ZINC001349967754 1055564268 /nfs/dbraw/zinc/56/42/68/1055564268.db2.gz OMHCMHBOCNKWNZ-QJPTWQEYSA-N 1 0 353.369 2.675 20 5 FFBDRO CN(C)c1ccc(CC[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1 ZINC001352849370 1055861866 /nfs/dbraw/zinc/86/18/66/1055861866.db2.gz KWVNDSMLFCHDLH-UHFFFAOYSA-N 1 0 369.469 2.857 20 5 FFBDRO Cn1cc(N2CC[C@H]([NH2+]Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2)cn1 ZINC001352850344 1055863899 /nfs/dbraw/zinc/86/38/99/1055863899.db2.gz RDCVYMHPZHNDLV-ZDUSSCGKSA-N 1 0 369.347 2.716 20 5 FFBDRO [NH3+][C@@H]1CN(C(=O)CCc2c(Cl)cccc2[N+](=O)[O-])C[C@H]1C(F)(F)F ZINC001358120684 1056149687 /nfs/dbraw/zinc/14/96/87/1056149687.db2.gz ZKDOBOZLGBJLTQ-MWLCHTKSSA-N 1 0 365.739 2.529 20 5 FFBDRO CC1(C)CN(C(=O)c2cc(F)cc3c2[nH]c2ccc(F)cc2c3=O)C[C@H]1[NH3+] ZINC001358131345 1056155535 /nfs/dbraw/zinc/15/55/35/1056155535.db2.gz RIEQUCNKSHFFDG-MRXNPFEDSA-N 1 0 371.387 2.769 20 5 FFBDRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3ccc([N+](=O)[O-])s3)n2C)C1 ZINC001339440915 1056455137 /nfs/dbraw/zinc/45/51/37/1056455137.db2.gz QXRWFXMFPQCMFM-LBPRGKRZSA-N 1 0 364.475 2.620 20 5 FFBDRO CCn1c(-c2cc(C)cc([N+](=O)[O-])c2)nnc1N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC001339653789 1056680639 /nfs/dbraw/zinc/68/06/39/1056680639.db2.gz OVKYOZOWNKJVRV-RHSMWYFYSA-N 1 0 370.457 2.712 20 5 FFBDRO C[C@@H](CNC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)C[NH+]1CCCCC1 ZINC001544876648 1071706366 /nfs/dbraw/zinc/70/63/66/1071706366.db2.gz ASWRKOMVSALZPI-AWEZNQCLSA-N 1 0 371.441 2.837 20 5 FFBDRO CC(C)(C)[NH+]1CCN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)CC1 ZINC001544970820 1071717683 /nfs/dbraw/zinc/71/76/83/1071717683.db2.gz RBFBHHGQPIQXMA-UHFFFAOYSA-N 1 0 358.801 2.526 20 5 FFBDRO C[C@H](COC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)[NH+]1CCCCC1 ZINC000847964018 1058535164 /nfs/dbraw/zinc/53/51/64/1058535164.db2.gz VVDUPVQWYOAJBQ-CQSZACIVSA-N 1 0 358.398 2.812 20 5 FFBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001446876526 1058567528 /nfs/dbraw/zinc/56/75/28/1058567528.db2.gz ASZMQHQSRFOHSX-HUUCEWRRSA-N 1 0 351.834 2.924 20 5 FFBDRO CCC1([NH2+]CCCc2ccccc2)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001502495028 1058865850 /nfs/dbraw/zinc/86/58/50/1058865850.db2.gz YLFDLIXXWBUJAI-QZTJIDSGSA-N 1 0 359.470 2.645 20 5 FFBDRO CCCN(CC[NH+]1CCCCCC1)C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001450784559 1059051099 /nfs/dbraw/zinc/05/10/99/1059051099.db2.gz DNJUSQHXFFNREM-SFHVURJKSA-N 1 0 363.458 2.743 20 5 FFBDRO NC(=O)c1cc(NCc2ccc(Nc3cc[nH+]cc3)cc2)ccc1[N+](=O)[O-] ZINC001472843340 1059491407 /nfs/dbraw/zinc/49/14/07/1059491407.db2.gz GEBYEBCLLGXVII-UHFFFAOYSA-N 1 0 363.377 2.866 20 5 FFBDRO C[C@@H]1CN(C(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC001355077395 1059860896 /nfs/dbraw/zinc/86/08/96/1059860896.db2.gz LXWGYGQPWUNFBN-LJIGWXMPSA-N 1 0 374.485 2.744 20 5 FFBDRO COC(=O)[C@@H](C)C[N@H+](Cn1cc(-c2ccccc2[N+](=O)[O-])cn1)C1CC1 ZINC000848477121 1060098770 /nfs/dbraw/zinc/09/87/70/1060098770.db2.gz OWMOZIFWKPPOJM-ZDUSSCGKSA-N 1 0 358.398 2.689 20 5 FFBDRO O=[N+]([O-])c1ccccc1-c1cnn(CN2CC[C@H]([NH+]3CCCCC3)C2)c1 ZINC000848478840 1060106820 /nfs/dbraw/zinc/10/68/20/1060106820.db2.gz UXSZXRAHNSROJQ-KRWDZBQOSA-N 1 0 355.442 2.976 20 5 FFBDRO C[N@@H+]1CCC[C@]2(CCN(Cn3cc(-c4ccccc4[N+](=O)[O-])cn3)C2)C1 ZINC000848488153 1060136690 /nfs/dbraw/zinc/13/66/90/1060136690.db2.gz BRJPWRVMYDQSBV-IBGZPJMESA-N 1 0 355.442 2.834 20 5 FFBDRO CC(C)(C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])[C@@H]1COCC12OCCO2 ZINC000848552821 1060266897 /nfs/dbraw/zinc/26/68/97/1060266897.db2.gz NYHWQQDVPBUUCB-WBVHZDCISA-N 1 0 362.426 2.587 20 5 FFBDRO CC[NH+](CC)C1CCN(c2nnc(Cc3cccc([N+](=O)[O-])c3)n2C)CC1 ZINC001355480368 1060276449 /nfs/dbraw/zinc/27/64/49/1060276449.db2.gz MMXTUWDESZXCKW-UHFFFAOYSA-N 1 0 372.473 2.625 20 5 FFBDRO C[NH+](C)CC1CCC(NC(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)CC1 ZINC000848585685 1060316378 /nfs/dbraw/zinc/31/63/78/1060316378.db2.gz NUWMYXVVXPPMRP-UHFFFAOYSA-N 1 0 371.384 2.803 20 5 FFBDRO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)N(Cc3cccc([N+](=O)[O-])c3)C3CC3)[C@H]2C1 ZINC001521372851 1060562452 /nfs/dbraw/zinc/56/24/52/1060562452.db2.gz JYEXLZVYNAYHNC-WBAXXEDZSA-N 1 0 358.442 2.609 20 5 FFBDRO O=C1OCCN1c1cc([N+](=O)[O-])ccc1N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000848784346 1060689549 /nfs/dbraw/zinc/68/95/49/1060689549.db2.gz ZIZRZWZLSWGIJR-ZBFHGGJFSA-N 1 0 360.414 2.980 20 5 FFBDRO C[NH+]1CCC2(CCC(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC001475341481 1061055436 /nfs/dbraw/zinc/05/54/36/1061055436.db2.gz MDDIOMAWQOPVJQ-UHFFFAOYSA-N 1 0 367.471 2.528 20 5 FFBDRO C[N@@H+]1C[C@@H]2CN(Cc3c(Br)cccc3[N+](=O)[O-])C[C@]2(C)C1 ZINC001460874171 1061135661 /nfs/dbraw/zinc/13/56/61/1061135661.db2.gz PWHNIEYCSQQGLF-ABAIWWIYSA-N 1 0 354.248 2.741 20 5 FFBDRO COC(=O)C[C@@](C)([NH2+]CCCOc1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC001460991628 1061180528 /nfs/dbraw/zinc/18/05/28/1061180528.db2.gz LKZKWBFHSXAVNU-LJQANCHMSA-N 1 0 373.409 2.827 20 5 FFBDRO COc1c(O)ccc(C[NH2+]C[C@@](C)(O)c2cccc(Cl)c2)c1[N+](=O)[O-] ZINC001462054071 1061489198 /nfs/dbraw/zinc/48/91/98/1061489198.db2.gz MDDHBWIFZOOJKY-QGZVFWFLSA-N 1 0 366.801 2.960 20 5 FFBDRO O=[N+]([O-])c1ccc(CC[NH+]2CCC(CNc3ccc(CO)cn3)CC2)cc1 ZINC001462165411 1061524635 /nfs/dbraw/zinc/52/46/35/1061524635.db2.gz KHRRFVDSRDZIDC-UHFFFAOYSA-N 1 0 370.453 2.849 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@H+](C)C[C@@H]1CC(C)C ZINC001465160357 1062994929 /nfs/dbraw/zinc/99/49/29/1062994929.db2.gz WEHDTQCKYCSPOB-AWEZNQCLSA-N 1 0 350.419 2.797 20 5 FFBDRO CC(C)Cn1c([C@@H](C)[N+](=O)[O-])nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001524992779 1063087110 /nfs/dbraw/zinc/08/71/10/1063087110.db2.gz FFFOSXRYFKTYDJ-OAHLLOKOSA-N 1 0 364.494 2.727 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC001532859709 1063195217 /nfs/dbraw/zinc/19/52/17/1063195217.db2.gz NOCBFWSMGPPQRB-QGZVFWFLSA-N 1 0 368.437 2.892 20 5 FFBDRO C[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C)[C@H](C)C1)[NH+](C)C ZINC001494227181 1063305289 /nfs/dbraw/zinc/30/52/89/1063305289.db2.gz ILRVWYHXDAYYIV-ZNMIVQPWSA-N 1 0 372.473 2.896 20 5 FFBDRO C[NH+](C)[C@@H](CNC(=O)CCc1cc(F)ccc1[N+](=O)[O-])Cc1ccccc1 ZINC001440670847 1063332030 /nfs/dbraw/zinc/33/20/30/1063332030.db2.gz CRZZNQCNHZDJAL-GOSISDBHSA-N 1 0 373.428 2.956 20 5 FFBDRO CCN(CC[NH2+]Cc1cc(Cl)sc1Cl)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001497391691 1063701836 /nfs/dbraw/zinc/70/18/36/1063701836.db2.gz XITZBJDLJBVQSO-NXEZZACHSA-N 1 0 366.270 2.658 20 5 FFBDRO Nc1c(Cl)cc(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)cc1[N+](=O)[O-] ZINC001470176735 1064269897 /nfs/dbraw/zinc/26/98/97/1064269897.db2.gz HTPWIOCTIVUMMM-ZDUSSCGKSA-N 1 0 366.849 2.967 20 5 FFBDRO CC(C)(C(=O)NCC[C@@H]([NH3+])Cc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC001575092440 1078105364 /nfs/dbraw/zinc/10/53/64/1078105364.db2.gz LYSTWROIZBOFQY-MRXNPFEDSA-N 1 0 355.438 2.949 20 5 FFBDRO CC(C)[C@H]([NH3+])Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H]2CCC[C@@H]21 ZINC001575458236 1078142463 /nfs/dbraw/zinc/14/24/63/1078142463.db2.gz CWRPFTILWFVOOD-UAGQMJEPSA-N 1 0 370.457 2.825 20 5 FFBDRO CN(C)CC[N@H+](C)CCCN(C)c1cccc(Br)c1[N+](=O)[O-] ZINC001472798973 1065148224 /nfs/dbraw/zinc/14/82/24/1065148224.db2.gz DOWLLNGZSUTFER-UHFFFAOYSA-N 1 0 373.295 2.677 20 5 FFBDRO COC(=O)c1ccnc(N[C@H]2CC[N@H+](Cc3cccc(C)c3)C2)c1[N+](=O)[O-] ZINC001472844146 1065155528 /nfs/dbraw/zinc/15/55/28/1065155528.db2.gz GKMNKPWRYDBPIS-HNNXBMFYSA-N 1 0 370.409 2.771 20 5 FFBDRO C[C@@H](CNC(=O)c1ncoc1C1CC[NH2+]CC1)c1ccccc1[N+](=O)[O-] ZINC001576033303 1078188475 /nfs/dbraw/zinc/18/84/75/1078188475.db2.gz QOGRJCHMHJSCGD-LBPRGKRZSA-N 1 0 358.398 2.583 20 5 FFBDRO O=C1C[C@@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CN1CC1CC1 ZINC001474248742 1065478534 /nfs/dbraw/zinc/47/85/34/1065478534.db2.gz PBNKGXSNTWRPAU-OAHLLOKOSA-N 1 0 355.394 2.955 20 5 FFBDRO COc1c(O)ccc(C[NH2+]Cc2ccc(N(C)C(C)=O)cc2)c1[N+](=O)[O-] ZINC001474632928 1065566159 /nfs/dbraw/zinc/56/61/59/1065566159.db2.gz FULSOVIVHPFDSD-UHFFFAOYSA-N 1 0 359.382 2.582 20 5 FFBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C1(CC)CC ZINC001578334708 1078465294 /nfs/dbraw/zinc/46/52/94/1078465294.db2.gz KMKUIINQQYUETQ-JKSUJKDBSA-N 1 0 374.445 2.848 20 5 FFBDRO CCO[C@H]1C[C@H]([NH2+]Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C1(CC)CC ZINC001578334706 1078465320 /nfs/dbraw/zinc/46/53/20/1078465320.db2.gz KMKUIINQQYUETQ-HOTGVXAUSA-N 1 0 374.445 2.848 20 5 FFBDRO C[NH2+][C@@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2[C@H]2C[C@@H]2C)C1 ZINC001578596913 1078497690 /nfs/dbraw/zinc/49/76/90/1078497690.db2.gz SJVATQVDJCFDQP-BJJXKVORSA-N 1 0 356.430 2.622 20 5 FFBDRO C[NH2+]CCn1c(C2CCCC2)nnc1N(C)CCc1ccccc1[N+](=O)[O-] ZINC001578726827 1078524111 /nfs/dbraw/zinc/52/41/11/1078524111.db2.gz ISOYPJQOVNEYIO-UHFFFAOYSA-N 1 0 372.473 2.742 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001578864847 1078536915 /nfs/dbraw/zinc/53/69/15/1078536915.db2.gz WTIFQUJDIWECOK-JGPRNRPPSA-N 1 0 353.806 2.977 20 5 FFBDRO COc1c(C(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)cccc1[N+](=O)[O-] ZINC001579135174 1078573151 /nfs/dbraw/zinc/57/31/51/1078573151.db2.gz SWWSQHGZBVGLBK-MRXNPFEDSA-N 1 0 357.366 2.517 20 5 FFBDRO COc1cc(C(=O)N2CC[C@H](C[NH3+])c3ccccc32)c([N+](=O)[O-])cc1F ZINC001579139180 1078574106 /nfs/dbraw/zinc/57/41/06/1078574106.db2.gz ORECNBGJQAOKOM-LLVKDONJSA-N 1 0 359.357 2.835 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NCC[C@@H]([NH3+])Cc1ccccc1 ZINC001579178783 1078581565 /nfs/dbraw/zinc/58/15/65/1078581565.db2.gz DKBXFUIKTMHVIH-CQSZACIVSA-N 1 0 358.398 2.685 20 5 FFBDRO C[C@@H](C[NH3+])NCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC001579395910 1078625635 /nfs/dbraw/zinc/62/56/35/1078625635.db2.gz SHEJCIPNICPPMG-AWEZNQCLSA-N 1 0 351.410 2.884 20 5 FFBDRO Cc1c(NC(=O)NC[C@@H]2C[NH2+]C[C@H]2C)cc([N+](=O)[O-])cc1C(F)(F)F ZINC001579542045 1078641495 /nfs/dbraw/zinc/64/14/95/1078641495.db2.gz LZWZSRQRPJTUMA-SCZZXKLOSA-N 1 0 360.336 2.899 20 5 FFBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)C[C@H]21 ZINC001580177492 1078760416 /nfs/dbraw/zinc/76/04/16/1078760416.db2.gz PFPQYDSOAYVFRD-CUOATXAZSA-N 1 0 357.332 2.813 20 5 FFBDRO [NH3+]C[C@@]12CN(c3ncc(Br)cc3[N+](=O)[O-])C[C@H]1CCCC2 ZINC001580256298 1078776380 /nfs/dbraw/zinc/77/63/80/1078776380.db2.gz SWGFZDKSVBFMAD-YGRLFVJLSA-N 1 0 355.236 2.708 20 5 FFBDRO [NH3+]Cc1cccc(OC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 ZINC001580344492 1078788751 /nfs/dbraw/zinc/78/87/51/1078788751.db2.gz LXHUSSBJFBJAMF-UHFFFAOYSA-N 1 0 355.394 2.876 20 5 FFBDRO C[C@H]([NH2+]Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC001580441924 1078805610 /nfs/dbraw/zinc/80/56/10/1078805610.db2.gz XETNOFPLEKZOIX-JTQLQIEISA-N 1 0 369.341 2.534 20 5 FFBDRO O=C(OCc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@]12CC[C@H]1C[NH2+]C2 ZINC001580803845 1078865364 /nfs/dbraw/zinc/86/53/64/1078865364.db2.gz KPKCPPZIJMZGLX-SJCJKPOMSA-N 1 0 359.407 2.761 20 5 FFBDRO O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001557866267 1075903104 /nfs/dbraw/zinc/90/31/04/1075903104.db2.gz RIMJASCYBJUZFK-INIZCTEOSA-N 1 0 364.405 2.733 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC001560038210 1076216101 /nfs/dbraw/zinc/21/61/01/1076216101.db2.gz ITOZNVTZTSSVAX-KRWDZBQOSA-N 1 0 371.441 2.916 20 5 FFBDRO C[N@H+](CCc1ccc2c(c1)OCO2)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001560148499 1076236558 /nfs/dbraw/zinc/23/65/58/1076236558.db2.gz WJFMWPMJEUTWLT-UHFFFAOYSA-N 1 0 354.366 2.874 20 5 FFBDRO CC[C@H]1CCC[C@@H]([NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001560316699 1076263380 /nfs/dbraw/zinc/26/33/80/1076263380.db2.gz HRTPWFUUUCYAPX-LSDHHAIUSA-N 1 0 369.487 2.822 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+]CCCc2ccc(O)cc2)cc1[N+](=O)[O-] ZINC001560328521 1076264567 /nfs/dbraw/zinc/26/45/67/1076264567.db2.gz XYEUKFVGJWVGPP-UHFFFAOYSA-N 1 0 374.393 2.575 20 5 FFBDRO COC(=O)c1ccc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1C ZINC001560641541 1076287262 /nfs/dbraw/zinc/28/72/62/1076287262.db2.gz HMGBIKPDKDEHEI-HNNXBMFYSA-N 1 0 370.409 2.771 20 5 FFBDRO CCOc1cc(N2CC[NH+](C[C@@](C)(CC)OC)CC2)ccc1[N+](=O)[O-] ZINC001560801189 1076300776 /nfs/dbraw/zinc/30/07/76/1076300776.db2.gz HWHADTWPJCORFX-GOSISDBHSA-N 1 0 351.447 2.931 20 5 FFBDRO Cn1cc([C@@H]2C[C@H]2C[NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])cn1 ZINC001560986326 1076316705 /nfs/dbraw/zinc/31/67/05/1076316705.db2.gz ACYOVKUHPCOKNK-SMDDNHRTSA-N 1 0 365.231 2.984 20 5 FFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc2oc(=O)[nH]c2c1 ZINC001560999036 1076317862 /nfs/dbraw/zinc/31/78/62/1076317862.db2.gz LYBHKBRKVQBAAE-NSHDSACASA-N 1 0 370.365 2.949 20 5 FFBDRO C[C@H]1CC[N@H+](CCNC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC001562575423 1076504435 /nfs/dbraw/zinc/50/44/35/1076504435.db2.gz NSMLPPRGEOGWNQ-JTQLQIEISA-N 1 0 371.235 2.821 20 5 FFBDRO C[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ccc(C2CCCCC2)cc1 ZINC001567281445 1077010897 /nfs/dbraw/zinc/01/08/97/1077010897.db2.gz NGZFOJFKRHLIPN-RTBURBONSA-N 1 0 359.470 2.948 20 5 FFBDRO C[C@@H](C(=O)N1CC[NH2+][C@H](Cc2ccc(F)cc2)C1)c1cccc([N+](=O)[O-])c1 ZINC001586133380 1079557129 /nfs/dbraw/zinc/55/71/29/1079557129.db2.gz XKDQYFCAFIEMOO-RDTXWAMCSA-N 1 0 371.412 2.881 20 5 FFBDRO C[C@]12CN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C[C@@]1(C)C[N@H+](Cc1ccccc1)C2 ZINC001586472425 1079635017 /nfs/dbraw/zinc/63/50/17/1079635017.db2.gz YJRFLYRCCTZZIH-BGYRXZFFSA-N 1 0 368.437 2.907 20 5 FFBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1ccc([N+](=O)[O-])c(-c2nn[nH]n2)c1 ZINC001590187261 1081077311 /nfs/dbraw/zinc/07/73/11/1081077311.db2.gz IHVISSFLQRRTMA-XQQFMLRXSA-N 1 0 359.434 2.553 20 5 FFBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC001590227455 1081108864 /nfs/dbraw/zinc/10/88/64/1081108864.db2.gz OZFFPCNJZRFHMY-VNHYZAJKSA-N 1 0 371.445 2.617 20 5 FFBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000285704537 257000411 /nfs/dbraw/zinc/00/04/11/257000411.db2.gz WCMFPMPFWJWKCZ-CZUORRHYSA-N 1 0 357.414 2.703 20 5 FFBDRO O=C(Cc1ccccc1[N+](=O)[O-])NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000093065902 250016201 /nfs/dbraw/zinc/01/62/01/250016201.db2.gz XHRQLEIYMFOUKH-UHFFFAOYSA-N 1 0 354.410 2.565 20 5 FFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@H]2CCS(=O)(=O)C2)s1 ZINC000102420210 250110205 /nfs/dbraw/zinc/11/02/05/250110205.db2.gz KMRSIYHLQZDCHI-NSHDSACASA-N 1 0 352.437 2.600 20 5 FFBDRO CC[NH+](CC)CCN(CCOC)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000104977017 250192229 /nfs/dbraw/zinc/19/22/29/250192229.db2.gz NCIUDTFVFHDFGK-UHFFFAOYSA-N 1 0 352.435 2.725 20 5 FFBDRO CN(CC[N@H+](C)C1CCCCC1)C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000181099830 251242149 /nfs/dbraw/zinc/24/21/49/251242149.db2.gz DYOGCTWIMJSEFU-UHFFFAOYSA-N 1 0 363.414 2.660 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000192530206 251283013 /nfs/dbraw/zinc/28/30/13/251283013.db2.gz BFVHXFAXLRNLKP-UHFFFAOYSA-N 1 0 373.409 2.933 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCc2ccccc2[C@H]1CO ZINC000268073650 251367267 /nfs/dbraw/zinc/36/72/67/251367267.db2.gz DHMYIJOAHGRUAX-LJQANCHMSA-N 1 0 369.421 2.824 20 5 FFBDRO C[NH+]1CCC([C@H]2CCN(C(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)C2)CC1 ZINC000270043559 251451280 /nfs/dbraw/zinc/45/12/80/251451280.db2.gz AUQBGDZTOKGVJK-KRWDZBQOSA-N 1 0 370.453 2.740 20 5 FFBDRO COc1cc(C[NH2+]CCn2ccnc2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000272504587 252054421 /nfs/dbraw/zinc/05/44/21/252054421.db2.gz WFUJUAQINOOJAM-UHFFFAOYSA-N 1 0 370.356 2.542 20 5 FFBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000272569924 252070604 /nfs/dbraw/zinc/07/06/04/252070604.db2.gz TULDXKIZZVSERX-DOMZBBRYSA-N 1 0 368.865 2.772 20 5 FFBDRO COc1cc(C[NH2+]C[C@H]2CCCOC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272369621 252021676 /nfs/dbraw/zinc/02/16/76/252021676.db2.gz GJXOZRHRJGQERN-LLVKDONJSA-N 1 0 360.357 2.764 20 5 FFBDRO C[C@@H](NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)C1=CC[N@H+](C)CC1 ZINC000272704858 252108469 /nfs/dbraw/zinc/10/84/69/252108469.db2.gz GJDYNASACHZWMK-LLVKDONJSA-N 1 0 352.822 2.698 20 5 FFBDRO CC[N@@H+]1CCCC[C@@H]1CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272584332 252073803 /nfs/dbraw/zinc/07/38/03/252073803.db2.gz YRAWSUXZBQFIFI-QZTJIDSGSA-N 1 0 357.458 2.882 20 5 FFBDRO CC1(C)CC(Nc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC(C)(C)[NH2+]1 ZINC000272870860 252152193 /nfs/dbraw/zinc/15/21/93/252152193.db2.gz SQMDADZOGVCSLI-UHFFFAOYSA-N 1 0 361.489 2.781 20 5 FFBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NC[C@@H]2CC[NH2+]C2)cc1 ZINC000273086068 252212330 /nfs/dbraw/zinc/21/23/30/252212330.db2.gz YWCGNWFAHKCUAL-CYBMUJFWSA-N 1 0 371.393 2.735 20 5 FFBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])[C@H]2C1 ZINC000273308095 252278648 /nfs/dbraw/zinc/27/86/48/252278648.db2.gz XIEJWRYFRJJEJG-RISCZKNCSA-N 1 0 369.874 2.893 20 5 FFBDRO O=[N+]([O-])c1cccc(OCC[NH+]2CCC(c3nnc4n3CCCC4)CC2)c1 ZINC000275020732 255947568 /nfs/dbraw/zinc/94/75/68/255947568.db2.gz UEVBMZRNSLPTOQ-UHFFFAOYSA-N 1 0 371.441 2.781 20 5 FFBDRO COc1cc(C(=O)Nc2ccccc2CC[NH+](C)C)c([N+](=O)[O-])cc1OC ZINC000275592594 256027752 /nfs/dbraw/zinc/02/77/52/256027752.db2.gz FVJWNCQZMTVSPL-UHFFFAOYSA-N 1 0 373.409 2.968 20 5 FFBDRO Cc1noc(C[C@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)c2ccccc2)n1 ZINC000277075231 256158717 /nfs/dbraw/zinc/15/87/17/256158717.db2.gz DXPQXGKEKKXLCW-ROUUACIJSA-N 1 0 368.393 2.893 20 5 FFBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000277184643 256169501 /nfs/dbraw/zinc/16/95/01/256169501.db2.gz LMHOWJBBAJUVKQ-QWHCGFSZSA-N 1 0 368.865 2.991 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000277199420 256171172 /nfs/dbraw/zinc/17/11/72/256171172.db2.gz FKYUVUSDSZOFAY-GUYCJALGSA-N 1 0 359.426 2.692 20 5 FFBDRO CCOc1cc(C[N@@H+]2CCC[C@@H](CNC(=O)C(C)C)C2)ccc1[N+](=O)[O-] ZINC000276934722 256144282 /nfs/dbraw/zinc/14/42/82/256144282.db2.gz RLVPMXKRKYNSSX-INIZCTEOSA-N 1 0 363.458 2.978 20 5 FFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCN(c2ccnn2C)C1 ZINC000278163053 256283230 /nfs/dbraw/zinc/28/32/30/256283230.db2.gz APMNYIHHMIEFLJ-WBVHZDCISA-N 1 0 357.458 2.908 20 5 FFBDRO COCCOCCOCCC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278399692 256308398 /nfs/dbraw/zinc/30/83/98/256308398.db2.gz FNMCWPYAUSMLTH-GOSISDBHSA-N 1 0 352.431 2.632 20 5 FFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)c1 ZINC000278534309 256322699 /nfs/dbraw/zinc/32/26/99/256322699.db2.gz NPOBTWWYQYCSFZ-CYBMUJFWSA-N 1 0 367.471 2.547 20 5 FFBDRO COc1cc(C(=O)NCCC[NH+]2CCCCCC2)c([N+](=O)[O-])cc1OC ZINC000069248054 221322972 /nfs/dbraw/zinc/32/29/72/221322972.db2.gz XFZVXCGMONMWBX-UHFFFAOYSA-N 1 0 365.430 2.608 20 5 FFBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000285612373 256995512 /nfs/dbraw/zinc/99/55/12/256995512.db2.gz QEYPASWBAKRZAW-ZFWWWQNUSA-N 1 0 364.421 2.621 20 5 FFBDRO CCS[C@@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000286030642 257017042 /nfs/dbraw/zinc/01/70/42/257017042.db2.gz HWHDMHGNJTXDCE-ZUZCIYMTSA-N 1 0 367.427 2.526 20 5 FFBDRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000286211558 257025883 /nfs/dbraw/zinc/02/58/83/257025883.db2.gz SPVKOHGGGRNNBS-QGZVFWFLSA-N 1 0 361.373 2.775 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCc2cccc(C[NH+]3CCCC3)c2)n1 ZINC000286232290 257026919 /nfs/dbraw/zinc/02/69/19/257026919.db2.gz UDJAMVOCXTWOAC-UHFFFAOYSA-N 1 0 370.409 2.984 20 5 FFBDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@@H+]2Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000286348307 257032350 /nfs/dbraw/zinc/03/23/50/257032350.db2.gz FJUJMJBFHZJIAG-RFLUGMABSA-N 1 0 356.382 2.500 20 5 FFBDRO CC(C)NC(=O)c1ccc(N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000286447010 257037601 /nfs/dbraw/zinc/03/76/01/257037601.db2.gz SZXMXZFOOUIZGG-HOCLYGCPSA-N 1 0 360.458 2.796 20 5 FFBDRO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000286536712 257041876 /nfs/dbraw/zinc/04/18/76/257041876.db2.gz WGKGQCHZNKBMAW-KBPBESRZSA-N 1 0 367.833 2.574 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000286667089 257048595 /nfs/dbraw/zinc/04/85/95/257048595.db2.gz UXLLRWWVENPUFZ-GXTWGEPZSA-N 1 0 362.348 2.986 20 5 FFBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000287039378 257068677 /nfs/dbraw/zinc/06/86/77/257068677.db2.gz SVKNHUXOTKDYPS-DOMZBBRYSA-N 1 0 366.849 2.745 20 5 FFBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000287074601 257070618 /nfs/dbraw/zinc/07/06/18/257070618.db2.gz KGGATAMFLOQUPL-YVEFUNNKSA-N 1 0 370.409 2.547 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCCN3c4ccccc4C[C@@H]3C2)c1 ZINC000289403847 257279278 /nfs/dbraw/zinc/27/92/78/257279278.db2.gz GDZWVQIKPIXANS-UYAOXDASSA-N 1 0 353.422 2.765 20 5 FFBDRO C[C@@H]1C[N@H+](CCCNC(=O)Nc2cccc([N+](=O)[O-])c2Cl)CCCO1 ZINC000289618951 257290355 /nfs/dbraw/zinc/29/03/55/257290355.db2.gz JSDMLVTVJMZBHQ-GFCCVEGCSA-N 1 0 370.837 2.871 20 5 FFBDRO Cc1nc2n(n1)C[C@@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])CC2 ZINC000289905182 257305910 /nfs/dbraw/zinc/30/59/10/257305910.db2.gz NJKVVLQQGDMFJZ-NSHDSACASA-N 1 0 356.213 2.906 20 5 FFBDRO CC1(C)C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@@H]1[C@@H]1CCCO1 ZINC000289969455 257309206 /nfs/dbraw/zinc/30/92/06/257309206.db2.gz XELNISAFCGOFOM-DOTOQJQBSA-N 1 0 365.405 2.952 20 5 FFBDRO COc1ccc(OCCN2CC[C@H](n3cc(Cl)cn3)C2)c([N+](=O)[O-])c1 ZINC000289999159 257310811 /nfs/dbraw/zinc/31/08/11/257310811.db2.gz SXUDQJDGNKXGOZ-ZDUSSCGKSA-N 1 0 366.805 2.779 20 5 FFBDRO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000290111924 257315905 /nfs/dbraw/zinc/31/59/05/257315905.db2.gz YJHOZHJQGLYGMF-HNNXBMFYSA-N 1 0 368.231 2.573 20 5 FFBDRO CS[C@@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C[C@H]1[NH+](C)C ZINC000289524492 257285672 /nfs/dbraw/zinc/28/56/72/257285672.db2.gz CNSHQFBXFIOYEU-VXGBXAGGSA-N 1 0 358.851 2.758 20 5 FFBDRO CC[NH+](CC)[C@H](CNc1nccc(C(N)=O)c1[N+](=O)[O-])c1ccccc1 ZINC000290596413 257345136 /nfs/dbraw/zinc/34/51/36/257345136.db2.gz YHQLEVIQVDAPLR-OAHLLOKOSA-N 1 0 357.414 2.584 20 5 FFBDRO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@](CO)(c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000291247137 257393554 /nfs/dbraw/zinc/39/35/54/257393554.db2.gz LPOKMWWBBGNKND-GOSISDBHSA-N 1 0 357.366 2.639 20 5 FFBDRO C[NH+](C)C[C@H]1CCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000292973105 257525331 /nfs/dbraw/zinc/52/53/31/257525331.db2.gz DWNFSZKGWZWEPU-SECBINFHSA-N 1 0 362.308 2.910 20 5 FFBDRO O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CCC2(CC[NH2+]C2)CC1 ZINC000293656315 257555833 /nfs/dbraw/zinc/55/58/33/257555833.db2.gz LDLRTUPTQKIMKA-UHFFFAOYSA-N 1 0 372.469 2.801 20 5 FFBDRO CS[C@@H]1CN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C[C@H]1[NH+]1CCCC1 ZINC000295018220 257612519 /nfs/dbraw/zinc/61/25/19/257612519.db2.gz UNALQMSNDLOELQ-HUUCEWRRSA-N 1 0 369.874 2.900 20 5 FFBDRO COc1ccc([C@@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3)C[C@H]2[NH3+])cc1F ZINC000297335583 257818305 /nfs/dbraw/zinc/81/83/05/257818305.db2.gz XYVCLRYHGHAMRG-DOTOQJQBSA-N 1 0 373.384 2.700 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]([C@@H](C)CO)C1CCCC1 ZINC000298491756 257915882 /nfs/dbraw/zinc/91/58/82/257915882.db2.gz JOMYVAWYSTUZOM-ZDUSSCGKSA-N 1 0 365.430 2.557 20 5 FFBDRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000301105315 258025421 /nfs/dbraw/zinc/02/54/21/258025421.db2.gz IRUGEHZHIZZLSG-HUUCEWRRSA-N 1 0 350.438 2.729 20 5 FFBDRO Cn1ccnc1C(=O)c1ccc(N[C@H]2CC[N@@H+]3CCCC[C@H]23)c([N+](=O)[O-])c1 ZINC000301231499 258035328 /nfs/dbraw/zinc/03/53/28/258035328.db2.gz FRJWWFZECXLSDQ-JKSUJKDBSA-N 1 0 369.425 2.598 20 5 FFBDRO C[N@@H+]1CCC[C@@H](N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)C1 ZINC000301277925 258039601 /nfs/dbraw/zinc/03/96/01/258039601.db2.gz JFVJFQHBHROUEM-CQSZACIVSA-N 1 0 372.391 2.830 20 5 FFBDRO Cc1cnc(NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000302059728 258085701 /nfs/dbraw/zinc/08/57/01/258085701.db2.gz SJEWIUNJISEQIY-QGZVFWFLSA-N 1 0 356.426 2.867 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000302083422 258087247 /nfs/dbraw/zinc/08/72/47/258087247.db2.gz KAARLPJCSGTWQG-UHFFFAOYSA-N 1 0 370.409 2.853 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000302195414 258093888 /nfs/dbraw/zinc/09/38/88/258093888.db2.gz SIKKGOJPXNILNB-GDBMZVCRSA-N 1 0 359.426 2.835 20 5 FFBDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000302494059 258103853 /nfs/dbraw/zinc/10/38/53/258103853.db2.gz ATKVBVCDEFMLGP-HNNXBMFYSA-N 1 0 370.453 2.938 20 5 FFBDRO Cc1cc(NC[C@@H](C)N2CC[NH+](C)CC2)c(Br)cc1[N+](=O)[O-] ZINC000302676253 258107720 /nfs/dbraw/zinc/10/77/20/258107720.db2.gz MWELZKWFGXRMBU-GFCCVEGCSA-N 1 0 371.279 2.714 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])c(N(C)CC2CC[NH+](C)CC2)cc1Cl ZINC000301648612 258060945 /nfs/dbraw/zinc/06/09/45/258060945.db2.gz DZUXCUDLFVWULO-UHFFFAOYSA-N 1 0 355.822 2.813 20 5 FFBDRO O=[N+]([O-])c1cnc2ccc(NC[C@H](c3ccco3)[NH+]3CCCCC3)nn21 ZINC000301822796 258069497 /nfs/dbraw/zinc/06/94/97/258069497.db2.gz CFJVNJKALBJRJI-CYBMUJFWSA-N 1 0 356.386 2.870 20 5 FFBDRO CNC(=O)c1ccc(N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000301826372 258069625 /nfs/dbraw/zinc/06/96/25/258069625.db2.gz JEEOUYIKFUQJAT-AEFFLSMTSA-N 1 0 372.400 2.951 20 5 FFBDRO CC[NH+]1CCC(CCNc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000301860988 258070965 /nfs/dbraw/zinc/07/09/65/258070965.db2.gz DRGJSYKWFDASBV-UHFFFAOYSA-N 1 0 355.460 2.532 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(NC[C@@H]2C[C@H](O)CN2Cc2ccccc2)c(F)c1 ZINC000301888840 258073116 /nfs/dbraw/zinc/07/31/16/258073116.db2.gz RWGWIVXSUUFPOM-GJZGRUSLSA-N 1 0 363.364 2.920 20 5 FFBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000331987702 258209029 /nfs/dbraw/zinc/20/90/29/258209029.db2.gz AEHZZTBHUUYLRA-HNNXBMFYSA-N 1 0 360.458 2.872 20 5 FFBDRO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000332348627 258226357 /nfs/dbraw/zinc/22/63/57/258226357.db2.gz ANXXTAGJZIPOKB-GFCCVEGCSA-N 1 0 353.369 2.502 20 5 FFBDRO C[C@H]1CCCN(c2ccc(C(=O)N3CCC[C@@H]([NH+](C)C)C3)cc2[N+](=O)[O-])C1 ZINC000332378578 258228030 /nfs/dbraw/zinc/22/80/30/258228030.db2.gz NTTVVAQSTIAELO-DOTOQJQBSA-N 1 0 374.485 2.997 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N3CCC[C@H]3C[NH+](C)C)cc2[N+](=O)[O-])C1 ZINC000332408096 258229396 /nfs/dbraw/zinc/22/93/96/258229396.db2.gz DFMYYZPXSPUGOF-WBVHZDCISA-N 1 0 374.485 2.997 20 5 FFBDRO COc1c(C(=O)NC2CC[NH+](CC3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000332453491 258230870 /nfs/dbraw/zinc/23/08/70/258230870.db2.gz GOWAIBZXULYYAX-UHFFFAOYSA-N 1 0 361.442 2.988 20 5 FFBDRO Cn1c(=O)c2ccc([N+](=O)[O-])cc2nc1SCC[C@@H]1CCCC[N@@H+]1C ZINC000332502244 258232553 /nfs/dbraw/zinc/23/25/53/258232553.db2.gz RMBMFBMNUKWQCM-LBPRGKRZSA-N 1 0 362.455 2.808 20 5 FFBDRO C[C@H]1C[C@@H](NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC[N@@H+]1C ZINC000332608922 258237219 /nfs/dbraw/zinc/23/72/19/258237219.db2.gz BEIAPZKVXFXAJR-AAEUAGOBSA-N 1 0 360.439 2.931 20 5 FFBDRO CCOc1cc(C[N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000331736833 258198734 /nfs/dbraw/zinc/19/87/34/258198734.db2.gz VGROSAPUHNITQH-MRXNPFEDSA-N 1 0 361.442 2.828 20 5 FFBDRO COc1cc(C[NH2+][C@H]2CCO[C@H]2C2CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000368904110 512129826 /nfs/dbraw/zinc/12/98/26/512129826.db2.gz ILGJDFPMFICSKK-SJCJKPOMSA-N 1 0 372.368 2.904 20 5 FFBDRO Cn1ccnc1[C@@H]1CCCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC000373055934 512150661 /nfs/dbraw/zinc/15/06/61/512150661.db2.gz GLOPGMLBBDCUQL-CYBMUJFWSA-N 1 0 355.398 2.597 20 5 FFBDRO Cn1ccnc1[C@@H]1CCCN(c2c(Br)cncc2[N+](=O)[O-])C1 ZINC000373059803 512153074 /nfs/dbraw/zinc/15/30/74/512153074.db2.gz RQGIGUCZTSIZPG-SNVBAGLBSA-N 1 0 366.219 2.870 20 5 FFBDRO C[NH+](C)C1CCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000065308804 506284992 /nfs/dbraw/zinc/28/49/92/506284992.db2.gz KZIZEVUCHDKFAL-UHFFFAOYSA-N 1 0 360.439 2.885 20 5 FFBDRO C[C@@H](CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)[N@@H+]1CCC[C@@H](C)C1 ZINC000053160497 506324156 /nfs/dbraw/zinc/32/41/56/506324156.db2.gz JAHANGZZVCXIMP-CABCVRRESA-N 1 0 371.441 2.631 20 5 FFBDRO COC[C@@H]1CCCC[N@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000375104758 512164720 /nfs/dbraw/zinc/16/47/20/512164720.db2.gz HYDIVPQZVTZASM-CQSZACIVSA-N 1 0 365.430 2.681 20 5 FFBDRO COc1ccc(OCC[N@@H+]2CCC[C@H](c3nccn3C)C2)c([N+](=O)[O-])c1 ZINC000377261354 512190742 /nfs/dbraw/zinc/19/07/42/512190742.db2.gz INWAVLJILUPPLD-AWEZNQCLSA-N 1 0 360.414 2.595 20 5 FFBDRO C[N@@H+]1CC[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(F)cc1 ZINC000371063018 512199744 /nfs/dbraw/zinc/19/97/44/512199744.db2.gz MQNMTFMQZGDEQC-PKOBYXMFSA-N 1 0 357.385 2.838 20 5 FFBDRO C[C@@H](C(=O)NCC1CCCCC1)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373237368 512235470 /nfs/dbraw/zinc/23/54/70/512235470.db2.gz QHHXZSKQOJDKGE-AWEZNQCLSA-N 1 0 363.462 2.513 20 5 FFBDRO COc1cc(C(=O)N2C[C@H]([NH+](C)C)Cc3ccccc32)c([N+](=O)[O-])cc1F ZINC000410464962 512269208 /nfs/dbraw/zinc/26/92/08/512269208.db2.gz ITGQZBHJZHTZOL-CYBMUJFWSA-N 1 0 373.384 2.876 20 5 FFBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000054646800 506595095 /nfs/dbraw/zinc/59/50/95/506595095.db2.gz DKFHXPYHGIHUSX-UHFFFAOYSA-N 1 0 360.458 2.655 20 5 FFBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)[N@@H+]1CCc2ccccc2C1 ZINC000054761454 506616844 /nfs/dbraw/zinc/61/68/44/506616844.db2.gz QKLCZARINNGGCZ-CYBMUJFWSA-N 1 0 357.385 2.911 20 5 FFBDRO C[NH+](C)CCNC(=O)c1cccc(CNc2ccc(F)cc2[N+](=O)[O-])c1 ZINC000066816510 506651790 /nfs/dbraw/zinc/65/17/90/506651790.db2.gz GIVGESVZXBZTNU-UHFFFAOYSA-N 1 0 360.389 2.637 20 5 FFBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000066921861 506695910 /nfs/dbraw/zinc/69/59/10/506695910.db2.gz WGKXSGNKZJCFOW-LJQANCHMSA-N 1 0 353.422 2.918 20 5 FFBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000055389464 506740764 /nfs/dbraw/zinc/74/07/64/506740764.db2.gz HADDVNGZXWKDOA-IYBDPMFKSA-N 1 0 363.458 2.848 20 5 FFBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000056067419 506922952 /nfs/dbraw/zinc/92/29/52/506922952.db2.gz NKLBFXLIHVXYLD-HUUCEWRRSA-N 1 0 369.487 2.631 20 5 FFBDRO CNC(=O)c1cccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000056196327 506959839 /nfs/dbraw/zinc/95/98/39/506959839.db2.gz CLYWQBLBRKUQOG-QWHCGFSZSA-N 1 0 370.409 2.632 20 5 FFBDRO O=C(CNc1ccccc1[N+](=O)[O-])NC1CC[NH+](Cc2ccccc2)CC1 ZINC000067704458 506980888 /nfs/dbraw/zinc/98/08/88/506980888.db2.gz QEQULIPJTWKKNF-UHFFFAOYSA-N 1 0 368.437 2.788 20 5 FFBDRO COc1ccc(CC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000067793057 507010501 /nfs/dbraw/zinc/01/05/01/507010501.db2.gz HDSPZYBRXJEEFI-QGZVFWFLSA-N 1 0 369.421 2.537 20 5 FFBDRO NC(=O)c1ccc(NC[C@@H](c2ccccc2)[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000015129239 507022574 /nfs/dbraw/zinc/02/25/74/507022574.db2.gz KINJKQMLJWPPJR-SFHVURJKSA-N 1 0 354.410 2.943 20 5 FFBDRO O=C(CC[NH+]1CCN(c2ccc(F)cc2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000045799644 507023801 /nfs/dbraw/zinc/02/38/01/507023801.db2.gz CBMQTUWFOCKXSX-UHFFFAOYSA-N 1 0 372.400 2.885 20 5 FFBDRO CN(CC[N@H+](C)C1CCCCC1)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000068105281 507113117 /nfs/dbraw/zinc/11/31/17/507113117.db2.gz WSWAKVLAIANBSY-UHFFFAOYSA-N 1 0 359.430 2.808 20 5 FFBDRO C[NH+](C)[C@@H]1CCCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000068341132 507193863 /nfs/dbraw/zinc/19/38/63/507193863.db2.gz JSJYNADNIYORKS-MRXNPFEDSA-N 1 0 363.461 2.707 20 5 FFBDRO CC[NH+](CC)[C@H](C)CNC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000068352894 507198042 /nfs/dbraw/zinc/19/80/42/507198042.db2.gz UQLAQCBCHXVTJV-NEPJUHHUSA-N 1 0 357.838 2.862 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC[NH+]1CCCCC1 ZINC000068353270 507198690 /nfs/dbraw/zinc/19/86/90/507198690.db2.gz LIUCNLPNWKPBTJ-LBPRGKRZSA-N 1 0 355.822 2.618 20 5 FFBDRO C[NH+]1CCN(Cc2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3F)c2)CC1 ZINC000057274191 507224741 /nfs/dbraw/zinc/22/47/41/507224741.db2.gz RGBWHAWKCFQODB-UHFFFAOYSA-N 1 0 372.400 2.734 20 5 FFBDRO O=C(NCC1CC[NH+](Cc2ccncc2)CC1)c1ccccc1[N+](=O)[O-] ZINC000023015919 507325035 /nfs/dbraw/zinc/32/50/35/507325035.db2.gz YJJHTVVNXKFGCW-UHFFFAOYSA-N 1 0 354.410 2.632 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000069077599 507399381 /nfs/dbraw/zinc/39/93/81/507399381.db2.gz NTORXRKDTBVQGT-MRXNPFEDSA-N 1 0 360.458 2.792 20 5 FFBDRO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)c(C)c2)CC1 ZINC000025184898 507474774 /nfs/dbraw/zinc/47/47/74/507474774.db2.gz QRXIDUUPPUUYPZ-UHFFFAOYSA-N 1 0 358.398 2.890 20 5 FFBDRO COCC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)C1CCCC1 ZINC000026448196 507590309 /nfs/dbraw/zinc/59/03/09/507590309.db2.gz UZLPURJYRWJBAC-UHFFFAOYSA-N 1 0 365.430 2.823 20 5 FFBDRO COc1ccc(OCC[N@@H+]2CC[C@H](c3nc(C4CC4)no3)C2)c([N+](=O)[O-])c1 ZINC000375472970 512349227 /nfs/dbraw/zinc/34/92/27/512349227.db2.gz UVNLRDJAZIVDQS-ZDUSSCGKSA-N 1 0 374.397 2.732 20 5 FFBDRO Cc1nn(Cc2ccc(C(=O)NCC(C)(C)[NH+](C)C)cc2)c(C)c1[N+](=O)[O-] ZINC000061499170 507615335 /nfs/dbraw/zinc/61/53/35/507615335.db2.gz SKPCLYBDWLTBIJ-UHFFFAOYSA-N 1 0 373.457 2.526 20 5 FFBDRO C[NH+](C)[C@@H](CNC(=O)CSc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000027145175 507635560 /nfs/dbraw/zinc/63/55/60/507635560.db2.gz OHKZKHWPTLMHON-QGZVFWFLSA-N 1 0 373.478 2.976 20 5 FFBDRO CC(C)(C)[N@@H+]1CCCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC1 ZINC000063723343 507764659 /nfs/dbraw/zinc/76/46/59/507764659.db2.gz UQUNXGBPASXUKE-UHFFFAOYSA-N 1 0 371.441 2.727 20 5 FFBDRO CCOc1ccccc1C[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000051426305 507770009 /nfs/dbraw/zinc/77/00/09/507770009.db2.gz DUNNWAKVJIEYNG-QGZVFWFLSA-N 1 0 360.410 2.865 20 5 FFBDRO O=[N+]([O-])c1cc(Br)cnc1N1CC[NH+](C2CCCC2)CC1 ZINC000052064362 507796148 /nfs/dbraw/zinc/79/61/48/507796148.db2.gz RYWFCOQYFQOYDY-UHFFFAOYSA-N 1 0 355.236 2.817 20 5 FFBDRO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccc(-n2cncn2)cc1 ZINC000089580732 507847303 /nfs/dbraw/zinc/84/73/03/507847303.db2.gz SLNSLXVHVSTZDR-AWEZNQCLSA-N 1 0 353.382 2.905 20 5 FFBDRO CCCO[C@H]1CCC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000108391996 507892499 /nfs/dbraw/zinc/89/24/99/507892499.db2.gz PPTVIXQMGCUHAG-IRXDYDNUSA-N 1 0 352.431 2.616 20 5 FFBDRO O=C1OCCN1c1cc([N+](=O)[O-])ccc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000091453426 507986983 /nfs/dbraw/zinc/98/69/83/507986983.db2.gz GBPFFHFBPPVWMP-OAHLLOKOSA-N 1 0 360.414 2.616 20 5 FFBDRO CC1CC[NH+](C[C@@H]2CCCN(c3ccc4ncc([N+](=O)[O-])n4n3)C2)CC1 ZINC000091476386 507988975 /nfs/dbraw/zinc/98/89/75/507988975.db2.gz OUSQSOWAFCBRSW-HNNXBMFYSA-N 1 0 358.446 2.586 20 5 FFBDRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000079683587 507990488 /nfs/dbraw/zinc/99/04/88/507990488.db2.gz FRJSJHXYWLZTHN-JTQLQIEISA-N 1 0 357.332 2.828 20 5 FFBDRO Cc1ccc(CN(CC[NH+](C)C)C(=O)CN(C)c2ccccc2[N+](=O)[O-])o1 ZINC000079790866 508001428 /nfs/dbraw/zinc/00/14/28/508001428.db2.gz TUEOIVGXDZGHHJ-UHFFFAOYSA-N 1 0 374.441 2.523 20 5 FFBDRO CCc1nn(C)c(N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000091729097 508005565 /nfs/dbraw/zinc/00/55/65/508005565.db2.gz CGYBOIAZYMBQHD-INIZCTEOSA-N 1 0 357.458 2.849 20 5 FFBDRO O=C(C[NH2+]C1(c2ccccc2)CCOCC1)Nc1ccccc1[N+](=O)[O-] ZINC000074319474 508011468 /nfs/dbraw/zinc/01/14/68/508011468.db2.gz KXNHKWHNHOZCLI-UHFFFAOYSA-N 1 0 355.394 2.829 20 5 FFBDRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000074320190 508011754 /nfs/dbraw/zinc/01/17/54/508011754.db2.gz RBMBTYWZNFWNMG-OAHLLOKOSA-N 1 0 372.469 2.973 20 5 FFBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000074320184 508011949 /nfs/dbraw/zinc/01/19/49/508011949.db2.gz RBMBTYWZNFWNMG-HNNXBMFYSA-N 1 0 372.469 2.973 20 5 FFBDRO C[C@@H]1C[C@H](NC(=O)c2cccc([N+](=O)[O-])c2N)CC[N@@H+]1Cc1ccccc1 ZINC000079945110 508017892 /nfs/dbraw/zinc/01/78/92/508017892.db2.gz NHQZZPYMXFUOGZ-GDBMZVCRSA-N 1 0 368.437 2.960 20 5 FFBDRO CC(C)CC[NH+]1CCC(CNC(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000079996202 508024401 /nfs/dbraw/zinc/02/44/01/508024401.db2.gz PTBCEUXEKIMMOW-UHFFFAOYSA-N 1 0 363.458 2.848 20 5 FFBDRO CC(C)CC[NH+]1CCC(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000080283939 508061873 /nfs/dbraw/zinc/06/18/73/508061873.db2.gz SBYIIJCAXBDOQN-UHFFFAOYSA-N 1 0 369.487 2.631 20 5 FFBDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000110975333 508062133 /nfs/dbraw/zinc/06/21/33/508062133.db2.gz QZSNUOHCNXDDLR-CQSZACIVSA-N 1 0 365.478 2.543 20 5 FFBDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000075324340 508097912 /nfs/dbraw/zinc/09/79/12/508097912.db2.gz VXYIITUCNZRHMX-INIZCTEOSA-N 1 0 356.426 2.907 20 5 FFBDRO C[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)Cc1cccc(O)c1 ZINC000080919753 508112055 /nfs/dbraw/zinc/11/20/55/508112055.db2.gz DQQAOZPDTFLJMM-UHFFFAOYSA-N 1 0 357.366 2.730 20 5 FFBDRO COc1ccc(-c2ccc(C[N@H+](C)CCN3CCCC3=O)o2)c([N+](=O)[O-])c1 ZINC000093320337 508139579 /nfs/dbraw/zinc/13/95/79/508139579.db2.gz GVBJSYLQDCAMGF-UHFFFAOYSA-N 1 0 373.409 2.918 20 5 FFBDRO COc1ccc(C(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000081125937 508140127 /nfs/dbraw/zinc/14/01/27/508140127.db2.gz JMHKPAFLCLLWFG-KRWDZBQOSA-N 1 0 369.421 2.950 20 5 FFBDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000081126539 508140493 /nfs/dbraw/zinc/14/04/93/508140493.db2.gz LQBVJPUMDNBANL-QGZVFWFLSA-N 1 0 368.437 2.740 20 5 FFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CC3=Cc4ccccc4OC3)C2)nc1 ZINC000093534454 508148089 /nfs/dbraw/zinc/14/80/89/508148089.db2.gz QRGUBYGOVDJBHR-MRXNPFEDSA-N 1 0 352.394 2.952 20 5 FFBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000081330146 508163295 /nfs/dbraw/zinc/16/32/95/508163295.db2.gz REMPEPWQVFAOKE-OAHLLOKOSA-N 1 0 371.441 2.584 20 5 FFBDRO CCc1ccc([C@@H]2C[C@H](C)CC[N@@H+]2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)o1 ZINC000076145400 508163731 /nfs/dbraw/zinc/16/37/31/508163731.db2.gz OGSLSUSBVGTMMU-KMFMINBZSA-N 1 0 362.430 2.781 20 5 FFBDRO CCCC[N@H+](C)CC1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000112918667 508233190 /nfs/dbraw/zinc/23/31/90/508233190.db2.gz OSDYLMNJAKTIGK-UHFFFAOYSA-N 1 0 363.458 2.944 20 5 FFBDRO CC1(C)C[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CCS1 ZINC000083414944 508245519 /nfs/dbraw/zinc/24/55/19/508245519.db2.gz CVJXCMABANODCI-UHFFFAOYSA-N 1 0 351.428 2.720 20 5 FFBDRO Cc1nc2n(n1)C[C@@H]([NH2+]Cc1csc(-c3cccc([N+](=O)[O-])c3)n1)CC2 ZINC000113333679 508261818 /nfs/dbraw/zinc/26/18/18/508261818.db2.gz UCLVDHDZPHFEID-ZDUSSCGKSA-N 1 0 370.438 2.723 20 5 FFBDRO C[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCc2ccccc2C1 ZINC000114489960 508321230 /nfs/dbraw/zinc/32/12/30/508321230.db2.gz HBFABCLKBNOQIX-IEBWSBKVSA-N 1 0 356.422 2.824 20 5 FFBDRO CCOC(=O)c1ccnc(NC[C@H]2CCC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000077938417 508393913 /nfs/dbraw/zinc/39/39/13/508393913.db2.gz AHQOEWVZIOPSFQ-CYBMUJFWSA-N 1 0 350.419 2.699 20 5 FFBDRO CC(=O)N1CC[C@@H](C[N@@H+](C)[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000156421928 508418727 /nfs/dbraw/zinc/41/87/27/508418727.db2.gz XPCJQVIKZKOTPM-JSGCOSHPSA-N 1 0 373.413 2.506 20 5 FFBDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000121838746 508429241 /nfs/dbraw/zinc/42/92/41/508429241.db2.gz OTYMKNFDBOBNEU-HNNXBMFYSA-N 1 0 371.441 2.775 20 5 FFBDRO Cc1c(C(=O)N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)cccc1[N+](=O)[O-] ZINC000133755997 508444692 /nfs/dbraw/zinc/44/46/92/508444692.db2.gz RYHOMIURMXDPAD-IYBDPMFKSA-N 1 0 374.485 2.534 20 5 FFBDRO CC[C@H]1CN(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)CC[N@@H+]1CCOC ZINC000127562162 508469088 /nfs/dbraw/zinc/46/90/88/508469088.db2.gz PLLQUDYBQBVUFE-HNNXBMFYSA-N 1 0 364.446 2.786 20 5 FFBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000122040014 508471508 /nfs/dbraw/zinc/47/15/08/508471508.db2.gz JCFCNHHAKNKPLN-LBPRGKRZSA-N 1 0 370.247 2.962 20 5 FFBDRO O=C(COc1ccccc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1)NCC1CC1 ZINC000116335365 508500880 /nfs/dbraw/zinc/50/08/80/508500880.db2.gz BJZWPFBCLJTDGQ-UHFFFAOYSA-N 1 0 369.421 2.790 20 5 FFBDRO C[NH+]1CCC(CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1 ZINC000116525689 508524939 /nfs/dbraw/zinc/52/49/39/508524939.db2.gz SIEVTRPOCQERLW-UHFFFAOYSA-N 1 0 363.461 2.613 20 5 FFBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157309352 508550226 /nfs/dbraw/zinc/55/02/26/508550226.db2.gz HBHBGOOROSFEIY-HOTGVXAUSA-N 1 0 360.458 2.872 20 5 FFBDRO CC(C)[NH+]1CCC(NC(=O)CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)CC1 ZINC000153283173 508567521 /nfs/dbraw/zinc/56/75/21/508567521.db2.gz ATPMDPAECVOPHS-UHFFFAOYSA-N 1 0 374.485 2.548 20 5 FFBDRO COc1ccc(C[N@H+](C)CCn2cc([N+](=O)[O-])cn2)cc1OC(F)F ZINC000157631945 508590489 /nfs/dbraw/zinc/59/04/89/508590489.db2.gz IOEMVWJJOKKNRQ-UHFFFAOYSA-N 1 0 356.329 2.533 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000122861746 508598674 /nfs/dbraw/zinc/59/86/74/508598674.db2.gz VYBNPNGWRNFNOM-UHFFFAOYSA-N 1 0 370.409 2.783 20 5 FFBDRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000153917553 508676685 /nfs/dbraw/zinc/67/66/85/508676685.db2.gz CBMZNTZLRSYNBF-GJZGRUSLSA-N 1 0 352.504 2.647 20 5 FFBDRO C[C@@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CN(C)CCO1 ZINC000129099791 508682976 /nfs/dbraw/zinc/68/29/76/508682976.db2.gz LMFMKOHYXQNCLN-WBMJQRKESA-N 1 0 362.455 2.527 20 5 FFBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC(CCC[NH+](C)C)CC1 ZINC000123509284 508697445 /nfs/dbraw/zinc/69/74/45/508697445.db2.gz LFABQHQQOHOZRH-HNNXBMFYSA-N 1 0 362.474 2.976 20 5 FFBDRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000158513665 508715852 /nfs/dbraw/zinc/71/58/52/508715852.db2.gz VMDMBYRAPLOLNB-ZANVPECISA-N 1 0 356.220 2.605 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000154100238 508717392 /nfs/dbraw/zinc/71/73/92/508717392.db2.gz PMKRVMUJCUCJMA-SUMWQHHRSA-N 1 0 359.426 2.692 20 5 FFBDRO O=C(Nc1ccccc1)C1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000136894775 508722882 /nfs/dbraw/zinc/72/28/82/508722882.db2.gz GBMNWRSTRGVYRN-LJQANCHMSA-N 1 0 369.421 2.979 20 5 FFBDRO Cc1c(C(=O)N2CC[C@@H](C)[C@@H](n3ccnc3)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000123685800 508724916 /nfs/dbraw/zinc/72/49/16/508724916.db2.gz CRYFWALEWOHFPD-BZNIZROVSA-N 1 0 373.369 2.731 20 5 FFBDRO CN(c1ccccc1)c1ccc(C[NH2+]CCc2nnc[nH]2)cc1[N+](=O)[O-] ZINC000119112413 508728372 /nfs/dbraw/zinc/72/83/72/508728372.db2.gz BGEBWWMPQZHQMF-UHFFFAOYSA-N 1 0 352.398 2.813 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)cnc1NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000154179357 508731666 /nfs/dbraw/zinc/73/16/66/508731666.db2.gz RWFBNXAHXKJXOD-UKRRQHHQSA-N 1 0 354.838 2.823 20 5 FFBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000158887893 508764480 /nfs/dbraw/zinc/76/44/80/508764480.db2.gz BCVHJWXYGYQDIN-NSHDSACASA-N 1 0 356.220 2.571 20 5 FFBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@]2(N3CCOCC3)CCSC2)cc1[N+](=O)[O-] ZINC000154427216 508782823 /nfs/dbraw/zinc/78/28/23/508782823.db2.gz UHLAXAPFDZRKSC-QAPCUYQASA-N 1 0 365.499 2.762 20 5 FFBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000139256705 508785666 /nfs/dbraw/zinc/78/56/66/508785666.db2.gz SHIWSFBZOPVKRP-IIAWOOMASA-N 1 0 367.471 2.621 20 5 FFBDRO COc1ccc(C[N@@H+]2CCC[C@@H](c3nncn3C3CC3)C2)cc1[N+](=O)[O-] ZINC000159067750 508789225 /nfs/dbraw/zinc/78/92/25/508789225.db2.gz PSPPSIBUDBTRKY-CQSZACIVSA-N 1 0 357.414 2.909 20 5 FFBDRO C[NH2+]C[C@@H]1CCCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000159099345 508792033 /nfs/dbraw/zinc/79/20/33/508792033.db2.gz CSBLETDZZUOSCP-LBPRGKRZSA-N 1 0 360.439 2.790 20 5 FFBDRO C[N@@H+]1CCC[C@H]2CN(CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000139911172 508796779 /nfs/dbraw/zinc/79/67/79/508796779.db2.gz HWCALUSISDRHGN-WFASDCNBSA-N 1 0 366.849 2.603 20 5 FFBDRO Cc1ccccc1[C@H](C)[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000159228678 508810840 /nfs/dbraw/zinc/81/08/40/508810840.db2.gz LGFWWPYDUGOHIJ-AWEZNQCLSA-N 1 0 363.439 2.532 20 5 FFBDRO COc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC(=O)N3C3CC3)C2)cc1[N+](=O)[O-] ZINC000159270078 508816538 /nfs/dbraw/zinc/81/65/38/508816538.db2.gz BGZNFYROGILDKC-GDBMZVCRSA-N 1 0 359.426 2.579 20 5 FFBDRO O=C1[C@H](N2CC[NH+](C3CCCCC3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000141807270 508818598 /nfs/dbraw/zinc/81/85/98/508818598.db2.gz ORBQQGXYTDFJEG-LJQANCHMSA-N 1 0 372.469 2.650 20 5 FFBDRO C[NH+](C)Cc1ccc(CNC(=O)NCCc2cccc([N+](=O)[O-])c2)cc1 ZINC000159283518 508818958 /nfs/dbraw/zinc/81/89/58/508818958.db2.gz HAYGVSKUMZNZDO-UHFFFAOYSA-N 1 0 356.426 2.698 20 5 FFBDRO COC(=O)C1([N@H+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CCCC1 ZINC000159460112 508845106 /nfs/dbraw/zinc/84/51/06/508845106.db2.gz NWMYVYVIXAMGIR-UHFFFAOYSA-N 1 0 363.414 2.649 20 5 FFBDRO C[NH+](C)[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1F)C1CCCCC1 ZINC000131044287 508880433 /nfs/dbraw/zinc/88/04/33/508880433.db2.gz XWPYATPKJLOOKY-QGZVFWFLSA-N 1 0 351.422 2.903 20 5 FFBDRO CCCS(=O)(=O)N1CCC([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000154917906 508882620 /nfs/dbraw/zinc/88/26/20/508882620.db2.gz QVZVPVMBTSXWJQ-CQSZACIVSA-N 1 0 369.487 2.758 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2noc(CN3CC[C@@H](C[NH+]4CCCC4)C3)n2)cc1 ZINC000150750961 508885071 /nfs/dbraw/zinc/88/50/71/508885071.db2.gz PFNIHVAKNHJOAX-AWEZNQCLSA-N 1 0 357.414 2.563 20 5 FFBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N[C@@](C)(C[NH3+])C3CC3)cc2[N+](=O)[O-])C1 ZINC000154967788 508894188 /nfs/dbraw/zinc/89/41/88/508894188.db2.gz MFLCHOUYZDRKLI-MNVSYLFESA-N 1 0 374.485 2.934 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000120209107 508950705 /nfs/dbraw/zinc/95/07/05/508950705.db2.gz QZSGHVJNBOFYCJ-HNNXBMFYSA-N 1 0 369.487 2.550 20 5 FFBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000125257347 508956259 /nfs/dbraw/zinc/95/62/59/508956259.db2.gz FKVCWPLYQLQRDL-QFBILLFUSA-N 1 0 372.469 2.796 20 5 FFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@@H]2CCCS2(=O)=O)o1 ZINC000131808995 508971518 /nfs/dbraw/zinc/97/15/18/508971518.db2.gz VEOSQGGVZIADIZ-ZDUSSCGKSA-N 1 0 350.396 2.522 20 5 FFBDRO O=C(Nc1ccccc1C(=O)OC1CC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1 ZINC000151187960 508974744 /nfs/dbraw/zinc/97/47/44/508974744.db2.gz SEQDFPCZVXZLDY-UHFFFAOYSA-N 1 0 369.377 2.756 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)[C@H](C)C1 ZINC000120366809 508981984 /nfs/dbraw/zinc/98/19/84/508981984.db2.gz GLSJGDKHDNTIKG-DOMZBBRYSA-N 1 0 350.419 2.797 20 5 FFBDRO CNS(=O)(=O)c1cccc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000132004105 508988608 /nfs/dbraw/zinc/98/86/08/508988608.db2.gz JIGKSFCWGRSONI-CYBMUJFWSA-N 1 0 363.439 2.662 20 5 FFBDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000155557792 509025960 /nfs/dbraw/zinc/02/59/60/509025960.db2.gz AGCUVHWUXYIOCY-OAHLLOKOSA-N 1 0 368.437 2.874 20 5 FFBDRO C[C@@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1)[N@H+](C)C1CC1 ZINC000120616781 509032599 /nfs/dbraw/zinc/03/25/99/509032599.db2.gz UHSLSOFOSUEXEH-VIFPVBQESA-N 1 0 356.220 2.570 20 5 FFBDRO COCCC[N@H+](C)CCNc1cc(C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000161128782 509074860 /nfs/dbraw/zinc/07/48/60/509074860.db2.gz FGPRXUVGZGULRJ-UHFFFAOYSA-N 1 0 359.430 2.740 20 5 FFBDRO O=C(NC1CC[NH+](Cc2ccccn2)CC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000132962306 509097714 /nfs/dbraw/zinc/09/77/14/509097714.db2.gz HIVGRKCGUHQLTQ-UHFFFAOYSA-N 1 0 358.373 2.523 20 5 FFBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Br)[N@H+](C)C1CC1 ZINC000120992141 509104691 /nfs/dbraw/zinc/10/46/91/509104691.db2.gz LWFKQGZWWLSLKE-SECBINFHSA-N 1 0 356.220 2.570 20 5 FFBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H](Oc3ccccc3Cl)C2)c1 ZINC000133028225 509106319 /nfs/dbraw/zinc/10/63/19/509106319.db2.gz DWWLYCZPJGOVAX-AWEZNQCLSA-N 1 0 350.806 2.988 20 5 FFBDRO CCCC[N@H+](C)CCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000121273563 509160826 /nfs/dbraw/zinc/16/08/26/509160826.db2.gz GOCPPBIQRDMCPQ-UHFFFAOYSA-N 1 0 358.236 2.819 20 5 FFBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000172706219 509189164 /nfs/dbraw/zinc/18/91/64/509189164.db2.gz QWESVRPALUDPHF-HNNXBMFYSA-N 1 0 360.458 2.609 20 5 FFBDRO C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C[N@@H+]1C1CC1 ZINC000182350675 509189675 /nfs/dbraw/zinc/18/96/75/509189675.db2.gz AGTQNNUJVALKDH-UWVGGRQHSA-N 1 0 355.341 2.551 20 5 FFBDRO C[N@@H+]1CC[C@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1 ZINC000248062581 509226463 /nfs/dbraw/zinc/22/64/63/509226463.db2.gz PHSFRAZEXPGHGA-PKOBYXMFSA-N 1 0 355.394 2.535 20 5 FFBDRO C[N@@H+]1CC[C@@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1 ZINC000248062577 509227359 /nfs/dbraw/zinc/22/73/59/509227359.db2.gz PHSFRAZEXPGHGA-IEBWSBKVSA-N 1 0 355.394 2.535 20 5 FFBDRO C[C@H](Nc1ccc(C(=O)N(C)[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000179050690 509240121 /nfs/dbraw/zinc/24/01/21/509240121.db2.gz KXBLPUMILIWVQF-DZGCQCFKSA-N 1 0 369.425 2.597 20 5 FFBDRO O=C(Cc1ccccc1[N+](=O)[O-])NCCN1CCc2c(Cl)cccc2C1 ZINC000188770328 509254546 /nfs/dbraw/zinc/25/45/46/509254546.db2.gz WVOQYBAUXIIZGL-UHFFFAOYSA-N 1 0 373.840 2.965 20 5 FFBDRO CC(C)([NH2+]Cc1cnc(N2CCOCC2)s1)c1ccc([N+](=O)[O-])cc1 ZINC000175984641 509256561 /nfs/dbraw/zinc/25/65/61/509256561.db2.gz XVHCXGJOSAVACU-UHFFFAOYSA-N 1 0 362.455 2.913 20 5 FFBDRO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000185629817 509273593 /nfs/dbraw/zinc/27/35/93/509273593.db2.gz HNRIRYBHDUHCPZ-SECBINFHSA-N 1 0 360.340 2.518 20 5 FFBDRO C[N@@H+]1CC[C@@H](NC(=O)NCc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000179137081 509281472 /nfs/dbraw/zinc/28/14/72/509281472.db2.gz PBPFDDWLBMIDCI-MSOLQXFVSA-N 1 0 354.410 2.839 20 5 FFBDRO O=C(CCN1CCC[C@@H]1C[NH+]1CCCC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000188931754 509329807 /nfs/dbraw/zinc/32/98/07/509329807.db2.gz YCQICWXXEROXIV-OAHLLOKOSA-N 1 0 364.421 2.623 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C3CCOCC3)CC2)cc1C(F)(F)F ZINC000267114419 509351473 /nfs/dbraw/zinc/35/14/73/509351473.db2.gz ZJDSZDQJTHFRPQ-UHFFFAOYSA-N 1 0 359.348 2.915 20 5 FFBDRO CC[NH+](CC)[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2Br)C1 ZINC000182662566 509358043 /nfs/dbraw/zinc/35/80/43/509358043.db2.gz AFDZAJDBQOBLPF-NSHDSACASA-N 1 0 370.247 2.914 20 5 FFBDRO COc1cccc2c1CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C2 ZINC000182694098 509376955 /nfs/dbraw/zinc/37/69/55/509376955.db2.gz XGYRGGOWZWNZCQ-UHFFFAOYSA-N 1 0 355.394 2.990 20 5 FFBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000186001418 509471881 /nfs/dbraw/zinc/47/18/81/509471881.db2.gz OGOBSNWOQYJLKQ-CQSZACIVSA-N 1 0 354.838 2.874 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N3CCC(C[NH3+])CC3)cc2[N+](=O)[O-])CC1 ZINC000236667807 509476821 /nfs/dbraw/zinc/47/68/21/509476821.db2.gz SOBUMBFZZSNDSC-UHFFFAOYSA-N 1 0 360.458 2.642 20 5 FFBDRO CCNC(=O)COc1cccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000267431782 509478108 /nfs/dbraw/zinc/47/81/08/509478108.db2.gz MWQOXGALFPUIND-AWEZNQCLSA-N 1 0 357.410 2.961 20 5 FFBDRO CCCN(CCC[NH+](C)C)C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000189265577 509490908 /nfs/dbraw/zinc/49/09/08/509490908.db2.gz KIJUSCNSMKIRLJ-UHFFFAOYSA-N 1 0 359.430 2.584 20 5 FFBDRO C[C@@H]([NH2+]CC(=O)N1CCN(c2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000173361007 509554032 /nfs/dbraw/zinc/55/40/32/509554032.db2.gz QSRUEFBVLUMKJL-MRXNPFEDSA-N 1 0 368.437 2.594 20 5 FFBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000165294459 509564661 /nfs/dbraw/zinc/56/46/61/509564661.db2.gz DVYJREVIQIWLND-UHFFFAOYSA-N 1 0 371.441 2.634 20 5 FFBDRO O=C(NC1CC1)c1ccc(N2CC[C@@H]([NH+]3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000264546328 509592105 /nfs/dbraw/zinc/59/21/05/509592105.db2.gz BXEUVHOOAMVAQZ-MRXNPFEDSA-N 1 0 358.442 2.552 20 5 FFBDRO C[C@@H](CCNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH+]1CCCCC1 ZINC000183130083 509616333 /nfs/dbraw/zinc/61/63/33/509616333.db2.gz ILMOAWRMSGPZLA-AWEZNQCLSA-N 1 0 358.442 2.999 20 5 FFBDRO CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000249398966 509671165 /nfs/dbraw/zinc/67/11/65/509671165.db2.gz BNONDLCJFYFDKF-ZNMIVQPWSA-N 1 0 364.446 2.766 20 5 FFBDRO COc1cccc([C@H]2[C@H](NC(=O)c3ccc([N+](=O)[O-])o3)CCN2C2CC2)c1 ZINC000183245852 509676618 /nfs/dbraw/zinc/67/66/18/509676618.db2.gz AJAOZHRDTFPTDX-QAPCUYQASA-N 1 0 371.393 2.904 20 5 FFBDRO COc1cccc([C@@H]2[C@@H](NC(=O)c3ccc([N+](=O)[O-])o3)CCN2C2CC2)c1 ZINC000183245866 509676834 /nfs/dbraw/zinc/67/68/34/509676834.db2.gz AJAOZHRDTFPTDX-MAUKXSAKSA-N 1 0 371.393 2.904 20 5 FFBDRO C[C@H]1CC[C@](CO)([N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000189657758 509687646 /nfs/dbraw/zinc/68/76/46/509687646.db2.gz ABYNXKHOKKJAJM-SJCJKPOMSA-N 1 0 353.394 2.545 20 5 FFBDRO C[C@@H]1C[N@@H+](CCCCNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C[C@H](C)O1 ZINC000267960523 509689262 /nfs/dbraw/zinc/68/92/62/509689262.db2.gz DLSIWYQWBDFLAO-OKILXGFUSA-N 1 0 374.441 2.695 20 5 FFBDRO COCCO[C@H]1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000189668555 509692433 /nfs/dbraw/zinc/69/24/33/509692433.db2.gz RBKSBJIJZNLIKA-INIZCTEOSA-N 1 0 361.398 2.530 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000237630029 509695636 /nfs/dbraw/zinc/69/56/36/509695636.db2.gz OBRWVNBLGVNHEV-RAQOOLMWSA-N 1 0 367.833 2.757 20 5 FFBDRO COc1cccc([C@H](CNC(=O)c2c(C)cccc2[N+](=O)[O-])[NH+](C)C)c1 ZINC000192913386 509696089 /nfs/dbraw/zinc/69/60/89/509696089.db2.gz RKJAQSBHJZBSKZ-KRWDZBQOSA-N 1 0 357.410 2.945 20 5 FFBDRO C[C@H]1CCCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@H]1C[NH3+] ZINC000237662699 509704900 /nfs/dbraw/zinc/70/49/00/509704900.db2.gz WIHROAHJMQMPQX-NHYWBVRUSA-N 1 0 360.439 2.918 20 5 FFBDRO C[C@@H]1C[C@H]1[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000180026082 509715086 /nfs/dbraw/zinc/71/50/86/509715086.db2.gz UUZWDYLDPLRWBH-GLZXHMCRSA-N 1 0 364.833 2.793 20 5 FFBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NCC[C@@H]1CCC[NH2+]C1 ZINC000237760750 509728839 /nfs/dbraw/zinc/72/88/39/509728839.db2.gz DVKXTWZDFGZBGP-LBPRGKRZSA-N 1 0 355.822 2.523 20 5 FFBDRO O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CCC([NH2+]CC2CC2)CC1 ZINC000237892589 509763851 /nfs/dbraw/zinc/76/38/51/509763851.db2.gz HXZVRQDDIIVDBU-UHFFFAOYSA-N 1 0 372.469 2.799 20 5 FFBDRO COc1ccc(OCCN2CCC[C@@H]([NH+]3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000173781961 509774133 /nfs/dbraw/zinc/77/41/33/509774133.db2.gz NBJOYZSBYMDOEB-MRXNPFEDSA-N 1 0 363.458 2.933 20 5 FFBDRO COc1cc(C[NH2+]CC[C@@](C)(O)c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000189844542 509783184 /nfs/dbraw/zinc/78/31/84/509783184.db2.gz NNMULBXGFBSZDH-LJQANCHMSA-N 1 0 360.410 2.999 20 5 FFBDRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000237974685 509789404 /nfs/dbraw/zinc/78/94/04/509789404.db2.gz HXWPNPWHFGJUPS-YPMHNXCESA-N 1 0 355.822 2.651 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])cc1F)N(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000186600097 509795078 /nfs/dbraw/zinc/79/50/78/509795078.db2.gz LFEXTNKWTTZUME-OAHLLOKOSA-N 1 0 372.400 2.913 20 5 FFBDRO COc1cc(NCC2([NH+]3CCCC3)CCOCC2)c([N+](=O)[O-])cc1F ZINC000268192687 509805799 /nfs/dbraw/zinc/80/57/99/509805799.db2.gz MVYLHGVTUYIMHO-UHFFFAOYSA-N 1 0 353.394 2.799 20 5 FFBDRO O=C(Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1)c1ccccc1[N+](=O)[O-] ZINC000238045747 509808726 /nfs/dbraw/zinc/80/87/26/509808726.db2.gz KXTBGRQGXLPTTB-UHFFFAOYSA-N 1 0 369.377 2.756 20 5 FFBDRO CN(CC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000180208132 509812546 /nfs/dbraw/zinc/81/25/46/509812546.db2.gz SZZHGDNOFSXMND-JXFKEZNVSA-N 1 0 368.437 2.593 20 5 FFBDRO O=C(Cc1cccc([N+](=O)[O-])c1)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000180227191 509821590 /nfs/dbraw/zinc/82/15/90/509821590.db2.gz HPWJTZPICNWMNI-UHFFFAOYSA-N 1 0 354.410 2.565 20 5 FFBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000173918655 509852576 /nfs/dbraw/zinc/85/25/76/509852576.db2.gz BIXAWNOXJMDDLH-AWEZNQCLSA-N 1 0 369.487 2.510 20 5 FFBDRO Cc1sc(C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000177068888 509853502 /nfs/dbraw/zinc/85/35/02/509853502.db2.gz VXEQEIULGFTMOI-UHFFFAOYSA-N 1 0 351.403 2.966 20 5 FFBDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000186746619 509885796 /nfs/dbraw/zinc/88/57/96/509885796.db2.gz GJEXKNIFJQYQHA-NSHDSACASA-N 1 0 370.837 2.557 20 5 FFBDRO CC1CC[NH+](C[C@H]2CCCN(C(=O)Nc3ccncc3[N+](=O)[O-])C2)CC1 ZINC000183618651 509889154 /nfs/dbraw/zinc/88/91/54/509889154.db2.gz DGIOGJONFOXWFO-OAHLLOKOSA-N 1 0 361.446 2.966 20 5 FFBDRO C[NH+](C)CCCOc1ccc(CNC(=O)Nc2ccncc2[N+](=O)[O-])cc1 ZINC000183618945 509889821 /nfs/dbraw/zinc/88/98/21/509889821.db2.gz ISXAAJHCKFBING-UHFFFAOYSA-N 1 0 373.413 2.642 20 5 FFBDRO C[C@H](CNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)[N@@H+]1CCC[C@H](C)C1 ZINC000253542023 509890214 /nfs/dbraw/zinc/89/02/14/509890214.db2.gz MWKCHWVNIGDFBR-QWHCGFSZSA-N 1 0 372.425 2.699 20 5 FFBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000253542021 509890304 /nfs/dbraw/zinc/89/03/04/509890304.db2.gz IKLDQANEDPJOKK-STQMWFEESA-N 1 0 372.425 2.699 20 5 FFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000171029675 509899177 /nfs/dbraw/zinc/89/91/77/509899177.db2.gz FNDVOLCEKLMDTR-UHFFFAOYSA-N 1 0 360.389 2.641 20 5 FFBDRO C[C@H]([NH2+]CC(=O)Nc1ccc(C(=O)N(C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000180397267 509902184 /nfs/dbraw/zinc/90/21/84/509902184.db2.gz MDHMVFCUHOOKPI-ZDUSSCGKSA-N 1 0 370.409 2.586 20 5 FFBDRO C[NH+](C)[C@H](CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])Cc1ccccc1 ZINC000253613206 509904474 /nfs/dbraw/zinc/90/44/74/509904474.db2.gz ZOOALNKVVNLQQB-AWEZNQCLSA-N 1 0 367.409 2.828 20 5 FFBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000190061683 509915913 /nfs/dbraw/zinc/91/59/13/509915913.db2.gz REXJLBZOQGRENQ-HNNXBMFYSA-N 1 0 351.447 2.805 20 5 FFBDRO CC(=O)c1cccc(OC[C@@H](O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000180420175 509917471 /nfs/dbraw/zinc/91/74/71/509917471.db2.gz HNIWXNDKEYCOGP-UGSOOPFHSA-N 1 0 358.394 2.888 20 5 FFBDRO COc1ccccc1COC[C@@H](O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180443924 509928037 /nfs/dbraw/zinc/92/80/37/509928037.db2.gz BYEORHPZPONILD-KDOFPFPSSA-N 1 0 360.410 2.832 20 5 FFBDRO CC[C@@H]1C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC[C@H]1c1ccccc1 ZINC000245437372 509933489 /nfs/dbraw/zinc/93/34/89/509933489.db2.gz RMABLHTUTRQBLT-ATZDWAIDSA-N 1 0 358.442 2.668 20 5 FFBDRO COc1ccc(OCC[N@@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)c([N+](=O)[O-])c1 ZINC000245526789 509984268 /nfs/dbraw/zinc/98/42/68/509984268.db2.gz FLCKJRJFCIFRML-WMLDXEAASA-N 1 0 360.414 2.762 20 5 FFBDRO COC(=O)[C@@H](O)C1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000180671376 510045976 /nfs/dbraw/zinc/04/59/76/510045976.db2.gz DMHJUTATWZIOIB-SFHVURJKSA-N 1 0 374.393 2.601 20 5 FFBDRO C[C@H]1CCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H](C[NH3+])C1 ZINC000261782951 510062483 /nfs/dbraw/zinc/06/24/83/510062483.db2.gz LGTBDKKINAKVEC-SMDDNHRTSA-N 1 0 360.439 2.918 20 5 FFBDRO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000245716654 510104289 /nfs/dbraw/zinc/10/42/89/510104289.db2.gz QILUOPAPUCFFIS-WBVHZDCISA-N 1 0 360.414 2.512 20 5 FFBDRO CCc1n[nH]c(C(=O)NCc2ccccc2C[N@H+](C)C(C)C)c1[N+](=O)[O-] ZINC000171371652 510112325 /nfs/dbraw/zinc/11/23/25/510112325.db2.gz MWFUPWAKZWHTNT-UHFFFAOYSA-N 1 0 359.430 2.651 20 5 FFBDRO C[C@@H]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)[C@@H](C[NH3+])C1 ZINC000261930533 510120399 /nfs/dbraw/zinc/12/03/99/510120399.db2.gz ZXVMZFHHNGVOMU-PSASIEDQSA-N 1 0 374.210 2.696 20 5 FFBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000171389419 510125962 /nfs/dbraw/zinc/12/59/62/510125962.db2.gz VSFDCAKGHYDGLV-HNNXBMFYSA-N 1 0 360.458 2.730 20 5 FFBDRO Cc1nn(CCC(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)c(C)c1[N+](=O)[O-] ZINC000187215879 510128953 /nfs/dbraw/zinc/12/89/53/510128953.db2.gz CFRFYXWNCRAMQM-DJJJIMSYSA-N 1 0 373.457 2.606 20 5 FFBDRO CCOC(=O)c1ccnc(N2CCC([NH+]3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000265603974 510135561 /nfs/dbraw/zinc/13/55/61/510135561.db2.gz SSRWVWJVBMIPIB-UHFFFAOYSA-N 1 0 362.430 2.621 20 5 FFBDRO C[C@@H]1C[C@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000180848446 510143325 /nfs/dbraw/zinc/14/33/25/510143325.db2.gz LSQILKSERRLOMD-GDBMZVCRSA-N 1 0 368.437 2.960 20 5 FFBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)NC(=O)Nc1ccccc1 ZINC000194057191 510196059 /nfs/dbraw/zinc/19/60/59/510196059.db2.gz RYBFASUNDBTRTK-QWHCGFSZSA-N 1 0 356.382 2.982 20 5 FFBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000194070943 510201444 /nfs/dbraw/zinc/20/14/44/510201444.db2.gz CQCSMUONIYWUCZ-GOSISDBHSA-N 1 0 368.437 2.916 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)[C@@H](C)C1 ZINC000245930845 510213179 /nfs/dbraw/zinc/21/31/79/510213179.db2.gz YLQFHDVUSLADMN-HOCLYGCPSA-N 1 0 371.441 2.583 20 5 FFBDRO CC(C)c1ccc(C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C2CC2)cc1 ZINC000174692775 510254042 /nfs/dbraw/zinc/25/40/42/510254042.db2.gz JJEVMAIOYXHNMD-IBGZPJMESA-N 1 0 358.442 2.940 20 5 FFBDRO [NH3+]CCCN(Cc1ccccc1)C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000262472648 510292229 /nfs/dbraw/zinc/29/22/29/510292229.db2.gz PFXWKTSLQHRHPW-UHFFFAOYSA-N 1 0 356.426 2.774 20 5 FFBDRO CC(C)[C@](C)(C[NH3+])NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000269265316 510316776 /nfs/dbraw/zinc/31/67/76/510316776.db2.gz KMKZRWWSQFWRRT-ZDUSSCGKSA-N 1 0 362.199 2.600 20 5 FFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000184435935 510323839 /nfs/dbraw/zinc/32/38/39/510323839.db2.gz LWLXHEQJVJKRPU-OAHLLOKOSA-N 1 0 368.437 2.914 20 5 FFBDRO CC[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1nc(C)cs1 ZINC000184443610 510328610 /nfs/dbraw/zinc/32/86/10/510328610.db2.gz GTKJGQVESGUISP-STQMWFEESA-N 1 0 351.428 2.840 20 5 FFBDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000269299350 510330701 /nfs/dbraw/zinc/33/07/01/510330701.db2.gz XECOIKSUNOAYAH-ZJUUUORDSA-N 1 0 356.220 2.557 20 5 FFBDRO CC[N@H+](C)Cc1cccc(CNC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])c1 ZINC000269327266 510343409 /nfs/dbraw/zinc/34/34/09/510343409.db2.gz DICWDTOLKSTCDZ-UHFFFAOYSA-N 1 0 359.430 2.823 20 5 FFBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246186641 510348389 /nfs/dbraw/zinc/34/83/89/510348389.db2.gz LLPXYKKWZXEULX-BBRMVZONSA-N 1 0 357.414 2.876 20 5 FFBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2cc(C)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000266024509 510365814 /nfs/dbraw/zinc/36/58/14/510365814.db2.gz MHOSTMVIFJYHSG-WBVHZDCISA-N 1 0 363.458 2.770 20 5 FFBDRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000262768221 510404588 /nfs/dbraw/zinc/40/45/88/510404588.db2.gz LEYPBKRZIQEALX-JQWIXIFHSA-N 1 0 374.363 2.530 20 5 FFBDRO CCOC(=O)[C@H](C)[C@H](C)[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000190957739 510433426 /nfs/dbraw/zinc/43/34/26/510433426.db2.gz GLDKJWRWJLRQJJ-OLZOCXBDSA-N 1 0 360.414 2.673 20 5 FFBDRO CCOC(=O)[C@@H](C)[C@@H](C)[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000190957696 510433661 /nfs/dbraw/zinc/43/36/61/510433661.db2.gz GLDKJWRWJLRQJJ-QWHCGFSZSA-N 1 0 360.414 2.673 20 5 FFBDRO Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000181510483 510446566 /nfs/dbraw/zinc/44/65/66/510446566.db2.gz YQDKHABGYWRNRH-LBPRGKRZSA-N 1 0 369.468 2.594 20 5 FFBDRO CC[C@@H]([NH2+]CC(=O)NC(=O)NCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000181539509 510462740 /nfs/dbraw/zinc/46/27/40/510462740.db2.gz SPDQCNZKPQOOFJ-QGZVFWFLSA-N 1 0 370.409 2.662 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@H](Cc2ccccc2)C2CC2)c1 ZINC000181557047 510470832 /nfs/dbraw/zinc/47/08/32/510470832.db2.gz OYCHSJCBQLOPNB-AZUAARDMSA-N 1 0 356.422 2.945 20 5 FFBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000175125861 510494330 /nfs/dbraw/zinc/49/43/30/510494330.db2.gz VUWJZKOQVXMCCI-VMPITWQZSA-N 1 0 373.453 2.711 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000175224822 510541545 /nfs/dbraw/zinc/54/15/45/510541545.db2.gz FIXIXTAIOJORGC-INIZCTEOSA-N 1 0 363.458 2.538 20 5 FFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC1CC[NH+](CC2CC2)CC1 ZINC000172109467 510546915 /nfs/dbraw/zinc/54/69/15/510546915.db2.gz OQZBDDSWFFLGJP-UHFFFAOYSA-N 1 0 351.834 2.781 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC2(CC1)[C@H](O)C[C@@H]2OCC ZINC000175259531 510557849 /nfs/dbraw/zinc/55/78/49/510557849.db2.gz BDQULKIKQKMPGX-MSOLQXFVSA-N 1 0 364.442 2.745 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+](CCC(F)(F)F)Cc2ccccc2)c1 ZINC000191244521 510566734 /nfs/dbraw/zinc/56/67/34/510566734.db2.gz QSTBVIHAPGJVJU-OAHLLOKOSA-N 1 0 372.347 2.607 20 5 FFBDRO O=[N+]([O-])c1ccn(CC[N@H+](CCc2ccccc2)Cc2cccnc2)n1 ZINC000191354134 510620000 /nfs/dbraw/zinc/62/00/00/510620000.db2.gz PMBQNPQPBXBTQW-UHFFFAOYSA-N 1 0 351.410 2.931 20 5 FFBDRO Cc1c(Br)cc(C(=O)N[C@@H](C)Cn2ccnc2)cc1[N+](=O)[O-] ZINC000269976049 510625521 /nfs/dbraw/zinc/62/55/21/510625521.db2.gz NLIOKYFUHZKYTI-VIFPVBQESA-N 1 0 367.203 2.681 20 5 FFBDRO CCN(C)c1ccc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cn1 ZINC000191383934 510632264 /nfs/dbraw/zinc/63/22/64/510632264.db2.gz AVQNSFNMEREWHY-HNNXBMFYSA-N 1 0 356.430 2.527 20 5 FFBDRO CCS[C@H]1CCCC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000181871809 510634758 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/nfs/dbraw/zinc/79/42/14/510794214.db2.gz SHSZARIFKBHESJ-GUBZILKMSA-N 1 0 363.336 2.954 20 5 FFBDRO COC(=O)[C@H]1CCCC[C@]1(C)[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000270436584 510809441 /nfs/dbraw/zinc/80/94/41/510809441.db2.gz KDQQDESCLFSSPS-KDOFPFPSSA-N 1 0 374.397 2.856 20 5 FFBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000182232887 510825763 /nfs/dbraw/zinc/82/57/63/510825763.db2.gz YZDNVMNIOGWHIA-GFCCVEGCSA-N 1 0 357.357 2.753 20 5 FFBDRO C[C@](CO)([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1CCCCC1 ZINC000172673895 510841918 /nfs/dbraw/zinc/84/19/18/510841918.db2.gz IGRQBVALXNSSBG-GOSISDBHSA-N 1 0 350.415 2.882 20 5 FFBDRO COc1ccc([C@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3)C[C@@H]2[NH3+])cc1F ZINC000297335602 510907626 /nfs/dbraw/zinc/90/76/26/510907626.db2.gz XYVCLRYHGHAMRG-WBVHZDCISA-N 1 0 373.384 2.700 20 5 FFBDRO CC1(C)CN(Cc2ccccc2)CC[C@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000282390795 510957714 /nfs/dbraw/zinc/95/77/14/510957714.db2.gz DMJUZKAXDUQZAW-QGZVFWFLSA-N 1 0 357.458 2.682 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000364619585 510975662 /nfs/dbraw/zinc/97/56/62/510975662.db2.gz GIRUKCSMSRQDIP-LBPRGKRZSA-N 1 0 368.231 2.668 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000364619583 510975905 /nfs/dbraw/zinc/97/59/05/510975905.db2.gz GIRUKCSMSRQDIP-GFCCVEGCSA-N 1 0 368.231 2.668 20 5 FFBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000361067450 510988653 /nfs/dbraw/zinc/98/86/53/510988653.db2.gz NADYXNLPAFHAKC-QWRGUYRKSA-N 1 0 355.341 2.553 20 5 FFBDRO CC(C)[NH+]1CCC(NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)CC1 ZINC000294292729 511015585 /nfs/dbraw/zinc/01/55/85/511015585.db2.gz FXOLUBKGPCTXPD-UHFFFAOYSA-N 1 0 357.414 2.588 20 5 FFBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000279288565 511032572 /nfs/dbraw/zinc/03/25/72/511032572.db2.gz MDFOMBQMZIJHLJ-UONOGXRCSA-N 1 0 355.797 2.673 20 5 FFBDRO C[C@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)C(=O)NCCF ZINC000282615858 511047547 /nfs/dbraw/zinc/04/75/47/511047547.db2.gz IPSBOFRLUOPQBV-NSHDSACASA-N 1 0 351.403 2.887 20 5 FFBDRO C[C@H]1C[C@H](N(C)C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000279408190 511072982 /nfs/dbraw/zinc/07/29/82/511072982.db2.gz XBLXCHDOPRWBKL-CMPLNLGQSA-N 1 0 357.813 2.871 20 5 FFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CCS(=O)(=O)CCc1ccccc1 ZINC000282719106 511086512 /nfs/dbraw/zinc/08/65/12/511086512.db2.gz QFOFBYKGAYIMLG-UXBLZVDNSA-N 1 0 374.462 2.855 20 5 FFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCc2nc(C)nn2C1 ZINC000271175316 511107035 /nfs/dbraw/zinc/10/70/35/511107035.db2.gz UZSCUQFFGJSFOX-KGLIPLIRSA-N 1 0 361.471 2.970 20 5 FFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCc2nc(C)nn2C1 ZINC000271175319 511107292 /nfs/dbraw/zinc/10/72/92/511107292.db2.gz UZSCUQFFGJSFOX-UONOGXRCSA-N 1 0 361.471 2.970 20 5 FFBDRO Cn1cc([C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3F)CC23CCOCC3)cn1 ZINC000294685786 511142726 /nfs/dbraw/zinc/14/27/26/511142726.db2.gz AHBTXIKWMHUNRE-KRWDZBQOSA-N 1 0 374.416 2.864 20 5 FFBDRO O=C1CC[C@@H]([NH2+]CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C2(CCC2)N1 ZINC000282898493 511153899 /nfs/dbraw/zinc/15/38/99/511153899.db2.gz WTIAQPAGEJBAJI-MRXNPFEDSA-N 1 0 370.409 2.583 20 5 FFBDRO CCC[C@@H]([NH2+][C@@H]1CCN(C2CCOCC2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000362303855 511165382 /nfs/dbraw/zinc/16/53/82/511165382.db2.gz NUXVETDQKVFORK-QZTJIDSGSA-N 1 0 361.442 2.806 20 5 FFBDRO CCc1cc(N2CCC([NH2+][C@@H](C)c3ccc(N)c([N+](=O)[O-])c3)CC2)ncn1 ZINC000294760406 511169203 /nfs/dbraw/zinc/16/92/03/511169203.db2.gz MNJOIKCVVONXCV-ZDUSSCGKSA-N 1 0 370.457 2.849 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCC[C@@H]1C[C@@H](C)O ZINC000279726327 511190747 /nfs/dbraw/zinc/19/07/47/511190747.db2.gz JEINTXLOAHJMIE-ZIAGYGMSSA-N 1 0 365.430 2.557 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](CNC(=O)C(F)(F)F)C1 ZINC000291575574 511252400 /nfs/dbraw/zinc/25/24/00/511252400.db2.gz OHFVZUKPTRJHKQ-LBPRGKRZSA-N 1 0 359.348 2.794 20 5 FFBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)C1 ZINC000295061716 511267013 /nfs/dbraw/zinc/26/70/13/511267013.db2.gz UCABMNUNCGZJAH-ZDUSSCGKSA-N 1 0 366.437 2.604 20 5 FFBDRO CC(C)(C[C@H]1CCCN(Cc2c(F)cc([N+](=O)[O-])cc2F)C1)C(N)=O ZINC000295073903 511272502 /nfs/dbraw/zinc/27/25/02/511272502.db2.gz APLQYLQWLVUAAL-LLVKDONJSA-N 1 0 355.385 2.987 20 5 FFBDRO O=C(CC[N@@H+](CCCO)Cc1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000283198638 511273288 /nfs/dbraw/zinc/27/32/88/511273288.db2.gz GFMOXKUOFYIKQH-UHFFFAOYSA-N 1 0 357.410 2.808 20 5 FFBDRO C[C@@H]1Cc2c(ncn2CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000295107262 511283802 /nfs/dbraw/zinc/28/38/02/511283802.db2.gz HDKWOHNPEXESJW-QWHCGFSZSA-N 1 0 363.439 2.636 20 5 FFBDRO C[C@@H](NC(=O)[C@H]1CN(Cc2ccccc2)CCO1)c1ccccc1[N+](=O)[O-] ZINC000271690634 511289713 /nfs/dbraw/zinc/28/97/13/511289713.db2.gz ISCCKZIVGDPSSW-DNVCBOLYSA-N 1 0 369.421 2.673 20 5 FFBDRO C[C@@H](NC(=O)CC1([NH+]2CCOCC2)CCCC1)c1ccccc1[N+](=O)[O-] ZINC000271706450 511294300 /nfs/dbraw/zinc/29/43/00/511294300.db2.gz MPXCIAONRYNVLX-OAHLLOKOSA-N 1 0 361.442 2.807 20 5 FFBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000363026744 511306309 /nfs/dbraw/zinc/30/63/09/511306309.db2.gz MPRFWZOOZVMRJA-GJZGRUSLSA-N 1 0 358.442 2.552 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000298698226 511379218 /nfs/dbraw/zinc/37/92/18/511379218.db2.gz ZSKUUYKHUGMLKW-JKSUJKDBSA-N 1 0 363.414 2.575 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H]1CSC ZINC000298738813 511394967 /nfs/dbraw/zinc/39/49/67/511394967.db2.gz VTCITBLYJYGRGU-ZDUSSCGKSA-N 1 0 353.444 2.759 20 5 FFBDRO COC(=O)CC1([NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CCCC1 ZINC000280327922 511422455 /nfs/dbraw/zinc/42/24/55/511422455.db2.gz HBZWEKLYBGBYLJ-UHFFFAOYSA-N 1 0 363.414 2.697 20 5 FFBDRO CCN1CC[NH+](C[C@H](C)CNc2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000295499429 511425722 /nfs/dbraw/zinc/42/57/22/511425722.db2.gz KNNRUIQHDAUEAW-OAHLLOKOSA-N 1 0 357.458 2.829 20 5 FFBDRO C[C@H](NC(=O)c1ccc(N)c([N+](=O)[O-])c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272234600 511473994 /nfs/dbraw/zinc/47/39/94/511473994.db2.gz FKJJGNRKFGTEHT-YOEHRIQHSA-N 1 0 368.437 2.817 20 5 FFBDRO C[C@@]1(CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)CCC[NH2+]C1 ZINC000272968314 511513646 /nfs/dbraw/zinc/51/36/46/511513646.db2.gz BDPVTOGUFQUUPP-JOCHJYFZSA-N 1 0 363.461 2.661 20 5 FFBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N1CCN(Cc2cccc(O)c2)CC1 ZINC000283852615 511522184 /nfs/dbraw/zinc/52/21/84/511522184.db2.gz UFBFLBGIAVMBFZ-UHFFFAOYSA-N 1 0 355.394 2.825 20 5 FFBDRO Cc1nc([N+](=O)[O-])cn1Cc1nc(-c2ccc(C[NH+]3CCCC3)cc2)no1 ZINC000273680783 511571976 /nfs/dbraw/zinc/57/19/76/511571976.db2.gz HNJYZXYQSYUNGD-UHFFFAOYSA-N 1 0 368.397 2.794 20 5 FFBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000273846514 511629586 /nfs/dbraw/zinc/62/95/86/511629586.db2.gz GTYXDUFQMOSIBD-GUYCJALGSA-N 1 0 363.433 2.954 20 5 FFBDRO NC(=O)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@H]2O)c([N+](=O)[O-])c1 ZINC000280958101 511667366 /nfs/dbraw/zinc/66/73/66/511667366.db2.gz JKDRNTJSEKQQJC-LZLYRXPVSA-N 1 0 361.442 2.599 20 5 FFBDRO C[C@@H](C(=O)NC1CCC(C)CC1)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365817945 511667729 /nfs/dbraw/zinc/66/77/29/511667729.db2.gz DNHQDYKKJHENPE-SLTAFYQDSA-N 1 0 363.462 2.512 20 5 FFBDRO Cc1cc(NC(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000365842426 511682282 /nfs/dbraw/zinc/68/22/82/511682282.db2.gz BXECYHDCBKDUAV-AWEZNQCLSA-N 1 0 362.430 2.620 20 5 FFBDRO Cc1nn(C)c(NCC2([NH+]3CCSCC3)CCCCC2)c1[N+](=O)[O-] ZINC000301225822 511690514 /nfs/dbraw/zinc/69/05/14/511690514.db2.gz GHMJWZMUHHKJPX-UHFFFAOYSA-N 1 0 353.492 2.800 20 5 FFBDRO COC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000292805418 511727461 /nfs/dbraw/zinc/72/74/61/511727461.db2.gz OAQDCNUTUVOPHQ-AEFFLSMTSA-N 1 0 362.426 2.693 20 5 FFBDRO CCN(C)C(=O)[C@@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C(C)C ZINC000296420468 511735799 /nfs/dbraw/zinc/73/57/99/511735799.db2.gz UVFOTMKMHVHLHQ-SFHVURJKSA-N 1 0 374.441 2.885 20 5 FFBDRO CC[N@H+](C)CCNC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000303653306 511746095 /nfs/dbraw/zinc/74/60/95/511746095.db2.gz XLCQQALHLURLON-HUUCEWRRSA-N 1 0 362.474 2.759 20 5 FFBDRO C[N@@H+]1CC[C@H]2OCCN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)[C@H]2C1 ZINC000284550295 511768097 /nfs/dbraw/zinc/76/80/97/511768097.db2.gz HHLDLYHSLCXYIK-PKOBYXMFSA-N 1 0 357.410 2.760 20 5 FFBDRO C[N@@H+]1CC[C@H]2OCCN(Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)[C@@H]2C1 ZINC000284634916 511804491 /nfs/dbraw/zinc/80/44/91/511804491.db2.gz NNJKFACVQCNCDF-IEBWSBKVSA-N 1 0 357.410 2.760 20 5 FFBDRO CC(C)c1ccc(C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)cc1[N+](=O)[O-] ZINC000363898278 511837075 /nfs/dbraw/zinc/83/70/75/511837075.db2.gz ANJXSCBOKIDNEU-KRWDZBQOSA-N 1 0 374.485 2.570 20 5 FFBDRO CN(C(=O)c1ccc([N+](=O)[O-])cn1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000366123153 511853770 /nfs/dbraw/zinc/85/37/70/511853770.db2.gz GQVWYQRGBISGTO-QGZVFWFLSA-N 1 0 354.410 2.726 20 5 FFBDRO COc1cc(OCc2nc(-c3ccn4c[nH+]cc4c3)no2)ccc1[N+](=O)[O-] ZINC000351115120 511957915 /nfs/dbraw/zinc/95/79/15/511957915.db2.gz YADFNKNGWUXBBF-UHFFFAOYSA-N 1 0 367.321 2.880 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@]1(CO)CCCc2ccccc21 ZINC000281781372 511964453 /nfs/dbraw/zinc/96/44/53/511964453.db2.gz TUTMNLKUENDJNC-HXUWFJFHSA-N 1 0 369.421 2.655 20 5 FFBDRO COc1ccc(NC(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000274908092 511984523 /nfs/dbraw/zinc/98/45/23/511984523.db2.gz SFIYOYJOPBLZMH-AWEZNQCLSA-N 1 0 362.430 2.943 20 5 FFBDRO CS[C@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H]1[NH+]1CCCC1 ZINC000275146478 512055335 /nfs/dbraw/zinc/05/53/35/512055335.db2.gz XVJASTLLWMEBHM-ZBFHGGJFSA-N 1 0 362.455 2.748 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)c1 ZINC000293715929 512061009 /nfs/dbraw/zinc/06/10/09/512061009.db2.gz OXERXWKTKHRNKG-CQSZACIVSA-N 1 0 361.442 2.940 20 5 FFBDRO Cc1c(NC(=O)[C@H](C)N2CCC[C@@H]([NH+]3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000369583973 512494489 /nfs/dbraw/zinc/49/44/89/512494489.db2.gz KYIWIERHVWQLTA-JKSUJKDBSA-N 1 0 360.458 2.790 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000373776415 512500391 /nfs/dbraw/zinc/50/03/91/512500391.db2.gz HBNKLKGCHOGGSE-CXAGYDPISA-N 1 0 359.426 2.579 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCS[C@H](C)[C@H]1C ZINC000411283475 512561507 /nfs/dbraw/zinc/56/15/07/512561507.db2.gz YWDDEOAGNFFLQC-VXGBXAGGSA-N 1 0 353.444 2.758 20 5 FFBDRO COC(=O)[C@@H]1CCCC[C@]1(C)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000411410976 512623529 /nfs/dbraw/zinc/62/35/29/512623529.db2.gz XGTNHVDKSUYXNY-UGSOOPFHSA-N 1 0 363.414 2.635 20 5 FFBDRO C[C@@H]1C[C@]2(CCO1)C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C[C@H](C)O2 ZINC000374015517 512623655 /nfs/dbraw/zinc/62/36/55/512623655.db2.gz VZJLRBJVHHBXER-RVKKMQEKSA-N 1 0 350.415 2.632 20 5 FFBDRO Cc1c([C@@H](C)[NH2+][C@H]2CCN(c3ccccc3C(N)=O)C2)cccc1[N+](=O)[O-] ZINC000376193877 512703046 /nfs/dbraw/zinc/70/30/46/512703046.db2.gz GMGZWZRCGCRMGK-CABCVRRESA-N 1 0 368.437 2.932 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(CC(=O)NC[C@H](C)[NH+]2CCC(C)CC2)c1F ZINC000411695304 512764188 /nfs/dbraw/zinc/76/41/88/512764188.db2.gz OYJCIJQRLSRZBP-ZDUSSCGKSA-N 1 0 367.421 2.522 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000378500220 512792548 /nfs/dbraw/zinc/79/25/48/512792548.db2.gz WQIZPYJOUKKORH-CJNGLKHVSA-N 1 0 354.410 2.747 20 5 FFBDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000378539154 512814314 /nfs/dbraw/zinc/81/43/14/512814314.db2.gz NZXWIFBBNGNODD-HNNXBMFYSA-N 1 0 354.410 2.524 20 5 FFBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N[C@@H]2CC23CC[NH2+]CC3)CC1 ZINC000368154195 512823743 /nfs/dbraw/zinc/82/37/43/512823743.db2.gz MCGZMQORHWLHJA-GOSISDBHSA-N 1 0 372.469 2.703 20 5 FFBDRO COc1cccc([C@H]2C[C@@H](C)C[N@@H+]2CCn2cc([N+](=O)[O-])ccc2=O)c1 ZINC000378639139 512860457 /nfs/dbraw/zinc/86/04/57/512860457.db2.gz DPBGPSSFWATKAO-RDTXWAMCSA-N 1 0 357.410 2.848 20 5 FFBDRO CO[C@H]1c2ccccc2C[C@H]1[NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000411890946 512862829 /nfs/dbraw/zinc/86/28/29/512862829.db2.gz FUIMUCKUOQUIND-PJSAGSTRSA-N 1 0 355.394 2.824 20 5 FFBDRO O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CCC2(C1)CC[NH2+]CC2 ZINC000374511456 512866460 /nfs/dbraw/zinc/86/64/60/512866460.db2.gz XGPBKRFCGKOTIH-UHFFFAOYSA-N 1 0 372.469 2.801 20 5 FFBDRO CCc1nn(C)c(N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c1[N+](=O)[O-] ZINC000381013585 512874327 /nfs/dbraw/zinc/87/43/27/512874327.db2.gz PYPMNWCQMZQPGN-SJORKVTESA-N 1 0 369.469 2.849 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H](Oc2ccccc2)C1 ZINC000411990255 512904058 /nfs/dbraw/zinc/90/40/58/512904058.db2.gz VPJPSPBYSVWPAL-AEFFLSMTSA-N 1 0 372.421 2.878 20 5 FFBDRO O=[N+]([O-])c1cnc(N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)nc1 ZINC000368345338 512908202 /nfs/dbraw/zinc/90/82/02/512908202.db2.gz TTXQAASTQKCYQY-IBGZPJMESA-N 1 0 353.426 2.877 20 5 FFBDRO C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCCC[C@H]1c1ccccc1 ZINC000412017522 512912813 /nfs/dbraw/zinc/91/28/13/512912813.db2.gz ZVXFYNROHFGSCH-FHWLQOOXSA-N 1 0 358.442 2.810 20 5 FFBDRO O=C(CC[NH+]1CCC(c2cn[nH]c2)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000372598495 512962508 /nfs/dbraw/zinc/96/25/08/512962508.db2.gz HJERUHFOKGEJPR-UHFFFAOYSA-N 1 0 361.377 2.665 20 5 FFBDRO Cc1ccc(S(=O)(=O)N2CCC([NH+]3CCCCC3)CC2)cc1[N+](=O)[O-] ZINC000408008468 512982829 /nfs/dbraw/zinc/98/28/29/512982829.db2.gz HXGWUZRUHFMKKU-UHFFFAOYSA-N 1 0 367.471 2.542 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N[C@H](C)C[NH+]2CCCCCC2)c1F ZINC000412256323 513012796 /nfs/dbraw/zinc/01/27/96/513012796.db2.gz GWNOEMCUVBLQMQ-CYBMUJFWSA-N 1 0 367.421 2.666 20 5 FFBDRO C[N@@H+]1CCCC12CCN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])CC2 ZINC000368611244 513025870 /nfs/dbraw/zinc/02/58/70/513025870.db2.gz HQAZEMBFEPWLRT-UHFFFAOYSA-N 1 0 366.849 2.747 20 5 FFBDRO COc1cc(C(=O)N2CCC[N@H+](CC3CCC3)CC2)c([N+](=O)[O-])cc1F ZINC000412317574 513036462 /nfs/dbraw/zinc/03/64/62/513036462.db2.gz OUDYKCZMHLQWPT-UHFFFAOYSA-N 1 0 365.405 2.691 20 5 FFBDRO O=C(CC[N@H+]1CC[C@@](O)(c2ccc(F)cc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000374866689 513045980 /nfs/dbraw/zinc/04/59/80/513045980.db2.gz XAIJSQVVKWAJSS-IBGZPJMESA-N 1 0 373.384 2.656 20 5 FFBDRO CN(C(=O)C[NH2+][C@H](c1ccccc1)[C@H]1CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000374990125 513100328 /nfs/dbraw/zinc/10/03/28/513100328.db2.gz LSVNJUAOWYYMHH-OXJNMPFZSA-N 1 0 369.421 2.925 20 5 FFBDRO [NH3+]CCC[C@@H](NC(=O)NCCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000417772125 513202364 /nfs/dbraw/zinc/20/23/64/513202364.db2.gz WAIMSFOIFMEMLT-QGZVFWFLSA-N 1 0 356.426 2.917 20 5 FFBDRO CC(C)CC[NH+]1CCC(CNC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])CC1 ZINC000434032111 513219205 /nfs/dbraw/zinc/21/92/05/513219205.db2.gz QAYUAXJGASMUHU-UHFFFAOYSA-N 1 0 365.478 2.929 20 5 FFBDRO Cc1nc(NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)ncc1[N+](=O)[O-] ZINC000450493641 513220664 /nfs/dbraw/zinc/22/06/64/513220664.db2.gz FGYQBFMYMGMUKG-UHFFFAOYSA-N 1 0 359.352 2.910 20 5 FFBDRO Cc1nc(NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000450537434 513240912 /nfs/dbraw/zinc/24/09/12/513240912.db2.gz DKNIMFYMRNVJJY-KRWDZBQOSA-N 1 0 355.442 2.829 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000428994676 513244534 /nfs/dbraw/zinc/24/45/34/513244534.db2.gz PJOYOFYKABARLM-QIIPPGSGSA-N 1 0 360.458 2.504 20 5 FFBDRO C[C@H](c1ccccc1)[C@H](O)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000450566532 513253568 /nfs/dbraw/zinc/25/35/68/513253568.db2.gz KXYFLUQDTWFPPN-UWWQBHOKSA-N 1 0 356.426 2.641 20 5 FFBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000429023175 513259192 /nfs/dbraw/zinc/25/91/92/513259192.db2.gz DOXPTPZECWZEIZ-ATNYBXOESA-N 1 0 360.458 2.584 20 5 FFBDRO C[C@@H]1CN(c2ccc(Cl)c(F)c2)CC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000429032020 513261643 /nfs/dbraw/zinc/26/16/43/513261643.db2.gz VYFOHKVWVQNMRJ-GFCCVEGCSA-N 1 0 367.812 2.795 20 5 FFBDRO O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000415443100 513263383 /nfs/dbraw/zinc/26/33/83/513263383.db2.gz QPTQZDMNUMOTTQ-BXKDBHETSA-N 1 0 358.320 2.829 20 5 FFBDRO O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000434419755 513318768 /nfs/dbraw/zinc/31/87/68/513318768.db2.gz BJIRCDDVNLOVKX-MRXNPFEDSA-N 1 0 369.425 2.527 20 5 FFBDRO Cn1c(CC[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)nc2ccccc21 ZINC000440494247 513333203 /nfs/dbraw/zinc/33/32/03/513333203.db2.gz IGMNQVXQJNMFDF-AWEZNQCLSA-N 1 0 366.425 2.605 20 5 FFBDRO Cc1c(NC(=O)N[C@H]2CC[NH2+]C[C@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC000415651817 513362510 /nfs/dbraw/zinc/36/25/10/513362510.db2.gz KSYSGXXFWRNLAJ-KCJUWKMLSA-N 1 0 371.235 2.785 20 5 FFBDRO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000418085586 513366912 /nfs/dbraw/zinc/36/69/12/513366912.db2.gz ATZIBGUEUDIAGO-BETUJISGSA-N 1 0 372.347 2.650 20 5 FFBDRO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000418089269 513367416 /nfs/dbraw/zinc/36/74/16/513367416.db2.gz LYTDLDSKSOSMFK-BXUZGUMPSA-N 1 0 372.347 2.507 20 5 FFBDRO Cc1cc(NCCN2CC[N@@H+](C)C(C)(C)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000440651773 513370825 /nfs/dbraw/zinc/37/08/25/513370825.db2.gz QEWGYGWHMCQGLL-UHFFFAOYSA-N 1 0 357.458 2.889 20 5 FFBDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000415692565 513383041 /nfs/dbraw/zinc/38/30/41/513383041.db2.gz HFXMFFRQFWQTHX-UWVGGRQHSA-N 1 0 371.235 2.948 20 5 FFBDRO C[C@H]1CN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000415699768 513388534 /nfs/dbraw/zinc/38/85/34/513388534.db2.gz KFURENKLJLZFEO-QPUJVOFHSA-N 1 0 357.208 2.558 20 5 FFBDRO C[C@H]1CCCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)[C@@H]1C[NH3+] ZINC000415700558 513388714 /nfs/dbraw/zinc/38/87/14/513388714.db2.gz MSSGMSJWASELQC-TVQRCGJNSA-N 1 0 371.235 2.948 20 5 FFBDRO C[C@H]1CCCN(c2ccc(C(=O)N(C)CC(C)(C)C[NH3+])cc2[N+](=O)[O-])C1 ZINC000429516742 513395914 /nfs/dbraw/zinc/39/59/14/513395914.db2.gz FDFYJSVQSUHQEI-AWEZNQCLSA-N 1 0 362.474 2.888 20 5 FFBDRO COCCO[C@@H]1C[C@H](CO)C[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000447101478 513398721 /nfs/dbraw/zinc/39/87/21/513398721.db2.gz XKEBAFFYIDRKLY-DLBZAZTESA-N 1 0 366.458 2.564 20 5 FFBDRO CC(C)[C@H](CNc1nccc2ccc([N+](=O)[O-])cc21)[NH+]1CCN(C)CC1 ZINC000413047355 513407292 /nfs/dbraw/zinc/40/72/92/513407292.db2.gz UZMRIXIKHQYFAI-SFHVURJKSA-N 1 0 357.458 2.827 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N(C)C2CC[NH+](C(C)C)CC2)c1F ZINC000413089763 513438155 /nfs/dbraw/zinc/43/81/55/513438155.db2.gz CICGBDLNQVHALV-UHFFFAOYSA-N 1 0 367.421 2.616 20 5 FFBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000415944146 513490611 /nfs/dbraw/zinc/49/06/11/513490611.db2.gz HMYCPAOCSARXHH-UHFFFAOYSA-N 1 0 358.398 2.639 20 5 FFBDRO COc1ccc(OCCN2CC[NH+](Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000441181917 513506535 /nfs/dbraw/zinc/50/65/35/513506535.db2.gz ZIXLETYHQOOVHR-UHFFFAOYSA-N 1 0 371.437 2.800 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000441191473 513508132 /nfs/dbraw/zinc/50/81/32/513508132.db2.gz BXIZPRVYZKVHGP-CVEARBPZSA-N 1 0 361.442 2.980 20 5 FFBDRO CCc1nn(C)c(CC)c1C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447587706 513516034 /nfs/dbraw/zinc/51/60/34/513516034.db2.gz RXXWRDAUWAQTDH-DOTOQJQBSA-N 1 0 360.462 2.923 20 5 FFBDRO Cc1cc(N2CCC([NH2+][C@@H]3CCCC[C@@H]3n3ccc([N+](=O)[O-])n3)CC2)n[nH]1 ZINC000447598007 513519036 /nfs/dbraw/zinc/51/90/36/513519036.db2.gz GOOOZRYDHFFWNH-CVEARBPZSA-N 1 0 373.461 2.565 20 5 FFBDRO CCOc1cccc(CNC(=O)C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000451103197 513524096 /nfs/dbraw/zinc/52/40/96/513524096.db2.gz HBZGXXQMSUNPGO-AWEZNQCLSA-N 1 0 357.410 2.961 20 5 FFBDRO C[C@H]1CCCN(c2ccc(C(=O)N(C3CC3)[C@@H]3CC[NH2+]C3)cc2[N+](=O)[O-])C1 ZINC000435237411 513539836 /nfs/dbraw/zinc/53/98/36/513539836.db2.gz XTFPNUKVWBERBP-WMLDXEAASA-N 1 0 372.469 2.798 20 5 FFBDRO CN(C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)C(C)(C)C[NH+]1CCCC1 ZINC000416094163 513568988 /nfs/dbraw/zinc/56/89/88/513568988.db2.gz AMDVYHYDLZKART-UHFFFAOYSA-N 1 0 371.441 2.727 20 5 FFBDRO [NH3+]C[C@@H]1CN(Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CCO1 ZINC000435389080 513571687 /nfs/dbraw/zinc/57/16/87/513571687.db2.gz IPHKPUMKZJVWOU-MRXNPFEDSA-N 1 0 361.373 2.686 20 5 FFBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000418635734 513585583 /nfs/dbraw/zinc/58/55/83/513585583.db2.gz LAUQYNALBHKNRV-SFHVURJKSA-N 1 0 368.437 2.666 20 5 FFBDRO COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000451228185 513609093 /nfs/dbraw/zinc/60/90/93/513609093.db2.gz HRPYFGOWQDIWRZ-MAZHCROVSA-N 1 0 363.414 2.633 20 5 FFBDRO Cc1c(CNC(=O)CC[N@@H+]2CCc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000416223012 513654647 /nfs/dbraw/zinc/65/46/47/513654647.db2.gz DYIVOLSQCKRMKP-UHFFFAOYSA-N 1 0 353.422 2.968 20 5 FFBDRO C[NH+]1CCC(NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)CC1 ZINC000435814126 513689937 /nfs/dbraw/zinc/68/99/37/513689937.db2.gz QIRQFOQXSTZUOW-UHFFFAOYSA-N 1 0 371.387 2.784 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(N2CC[C@H]([NH+](C)C)C2)cn1 ZINC000448178343 513699486 /nfs/dbraw/zinc/69/94/86/513699486.db2.gz JVYGWFWBUJLPJV-INIZCTEOSA-N 1 0 369.425 2.691 20 5 FFBDRO COc1cc(NC(=O)c2ccc([N+](=O)[O-])s2)ccc1OCC[NH+](C)C ZINC000416345944 513724491 /nfs/dbraw/zinc/72/44/91/513724491.db2.gz YKZVSNHEOARPSU-UHFFFAOYSA-N 1 0 365.411 2.858 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCC[C@@H]3[C@@H]3CCC[C@H]3O)n2)cc1 ZINC000451426680 513743913 /nfs/dbraw/zinc/74/39/13/513743913.db2.gz VWTLGOUEYAYGRX-ARFHVFGLSA-N 1 0 358.398 2.770 20 5 FFBDRO Cc1cc(OCC(=O)N(C)CC[NH+](C(C)C)C(C)C)ccc1[N+](=O)[O-] ZINC000430786267 513747895 /nfs/dbraw/zinc/74/78/95/513747895.db2.gz OTHJCCQGJUILHR-UHFFFAOYSA-N 1 0 351.447 2.859 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H](Oc2ccccc2)C1 ZINC000419319162 513774276 /nfs/dbraw/zinc/77/42/76/513774276.db2.gz VPJPSPBYSVWPAL-FUHWJXTLSA-N 1 0 372.421 2.878 20 5 FFBDRO CC1(C)[C@H]([NH2+]Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@H]2CCCO[C@@H]21 ZINC000451479804 513776463 /nfs/dbraw/zinc/77/64/63/513776463.db2.gz NGGOVBYMURSVJZ-BMFZPTHFSA-N 1 0 358.398 2.938 20 5 FFBDRO C[NH+](C)[C@@H]1CCN(C(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000436319902 513825037 /nfs/dbraw/zinc/82/50/37/513825037.db2.gz GAEXPDQACDWGMR-GFCCVEGCSA-N 1 0 353.397 2.597 20 5 FFBDRO COc1ccc(NC(=O)[C@@H](C)N2CC[C@@H](OC)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000451562217 513834100 /nfs/dbraw/zinc/83/41/00/513834100.db2.gz IXEDDWXVNDLWNG-MLGOLLRUSA-N 1 0 365.430 2.677 20 5 FFBDRO O=C(NC1CC([NH+]2CCCCC2)C1)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000451569428 513840622 /nfs/dbraw/zinc/84/06/22/513840622.db2.gz SKGZHVBUGWXTJO-UHFFFAOYSA-N 1 0 369.425 2.732 20 5 FFBDRO Cc1cc(NC(=O)CC[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)no1 ZINC000451569252 513840645 /nfs/dbraw/zinc/84/06/45/513840645.db2.gz OOYVPLUWLXXFPM-OAHLLOKOSA-N 1 0 358.398 2.521 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C(C)C)[C@@H](CO)C(C)C ZINC000451590235 513852249 /nfs/dbraw/zinc/85/22/49/513852249.db2.gz BIUODGLVPAAKGB-MAUKXSAKSA-N 1 0 351.447 2.720 20 5 FFBDRO CC(C)[C@H](CO)[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)C(C)C ZINC000451604328 513861151 /nfs/dbraw/zinc/86/11/51/513861151.db2.gz YKIJCUALSYEWFN-JQFCIGGWSA-N 1 0 351.447 2.801 20 5 FFBDRO COc1cc(C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)c([N+](=O)[O-])cc1F ZINC000448823618 513915955 /nfs/dbraw/zinc/91/59/55/513915955.db2.gz OYCLVNWPCCKFBL-LBPRGKRZSA-N 1 0 353.394 2.593 20 5 FFBDRO C[C@H]([NH3+])c1ccc(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000422921917 513976836 /nfs/dbraw/zinc/97/68/36/513976836.db2.gz RDYPTXSSLNIYQE-AWEZNQCLSA-N 1 0 354.410 2.577 20 5 FFBDRO CCC1(c2ccccc2)C[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000414139445 513986596 /nfs/dbraw/zinc/98/65/96/513986596.db2.gz IJDYINZUCJGEJQ-GOSISDBHSA-N 1 0 356.422 2.998 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCNC(=O)Cc1cccc(F)c1 ZINC000449056504 514054830 /nfs/dbraw/zinc/05/48/30/514054830.db2.gz PXPUOSJIKVDQQS-AWEZNQCLSA-N 1 0 359.401 2.613 20 5 FFBDRO CCS(=O)(=O)CCC[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000414344374 514057873 /nfs/dbraw/zinc/05/78/73/514057873.db2.gz RKBFAMHYQKUWKH-GOEBONIOSA-N 1 0 354.472 2.720 20 5 FFBDRO [NH3+][C@@H]1CCC[C@H](CNc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)C1 ZINC000420288369 514075260 /nfs/dbraw/zinc/07/52/60/514075260.db2.gz SCWGGCNWOBWHFT-JKSUJKDBSA-N 1 0 356.426 2.920 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000449200154 514108340 /nfs/dbraw/zinc/10/83/40/514108340.db2.gz BAVZJTDVGMSTPF-KGLIPLIRSA-N 1 0 354.410 2.605 20 5 FFBDRO CN(C)C(=O)N[C@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000452021966 514140644 /nfs/dbraw/zinc/14/06/44/514140644.db2.gz UFPMQPJJJUAOIE-LBPRGKRZSA-N 1 0 374.363 2.849 20 5 FFBDRO CCn1nccc1N1CCC[C@H]([NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])C1=O ZINC000449276147 514142076 /nfs/dbraw/zinc/14/20/76/514142076.db2.gz AZFAJCVREBAETL-HOCLYGCPSA-N 1 0 371.441 2.527 20 5 FFBDRO C[N@@H+]1CCCC[C@H]1CN1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000432322185 514158708 /nfs/dbraw/zinc/15/87/08/514158708.db2.gz YIRJJOITBOVXAD-AWEZNQCLSA-N 1 0 352.866 2.855 20 5 FFBDRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000423597244 514178274 /nfs/dbraw/zinc/17/82/74/514178274.db2.gz UBFNRXDWQCYUOU-ZBEGNZNMSA-N 1 0 353.397 2.548 20 5 FFBDRO C[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@H]1CCN2CCO[C@H]1C2 ZINC000449362661 514181845 /nfs/dbraw/zinc/18/18/45/514181845.db2.gz LPAIQKKUXYOXHM-HKUYNNGSSA-N 1 0 357.410 2.760 20 5 FFBDRO C[C@@H](NC(=O)N(CC[NH3+])CCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000417145714 514192004 /nfs/dbraw/zinc/19/20/04/514192004.db2.gz XHRNKGBLPJNUBL-OAHLLOKOSA-N 1 0 356.426 2.869 20 5 FFBDRO NC(=O)c1cccc([N+](=O)[O-])c1NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000420588353 514193545 /nfs/dbraw/zinc/19/35/45/514193545.db2.gz PYORZQGHOXYKGQ-HNNXBMFYSA-N 1 0 358.398 2.926 20 5 FFBDRO NC(=O)c1cccc([N+](=O)[O-])c1N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000420589081 514193691 /nfs/dbraw/zinc/19/36/91/514193691.db2.gz SPPQDEQBGPMDRF-OAHLLOKOSA-N 1 0 354.410 2.770 20 5 FFBDRO COC[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000452106477 514194545 /nfs/dbraw/zinc/19/45/45/514194545.db2.gz QQXQKQVOUZDKGK-UONOGXRCSA-N 1 0 365.430 2.679 20 5 FFBDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2c(C(N)=O)cccc2[N+](=O)[O-])C1 ZINC000420602874 514196666 /nfs/dbraw/zinc/19/66/66/514196666.db2.gz OWQXDYKJQUIUHL-HUUCEWRRSA-N 1 0 360.458 2.785 20 5 FFBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]CC2=CCOCC2)c1 ZINC000449400793 514197345 /nfs/dbraw/zinc/19/73/45/514197345.db2.gz DENMCWKZICQUBS-UHFFFAOYSA-N 1 0 374.178 2.636 20 5 FFBDRO CC(C)c1ccc(C(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1[N+](=O)[O-] ZINC000423714281 514210273 /nfs/dbraw/zinc/21/02/73/514210273.db2.gz GEUOULDUUQKZJL-HNNXBMFYSA-N 1 0 361.442 2.546 20 5 FFBDRO C[C@@H]1CN(c2c(C(N)=O)cccc2[N+](=O)[O-])CC[N@H+](Cc2ccccc2)C1 ZINC000420639510 514211544 /nfs/dbraw/zinc/21/15/44/514211544.db2.gz QNGIJNANFGFNFG-HNNXBMFYSA-N 1 0 368.437 2.652 20 5 FFBDRO Cn1cc([C@@H]2C[N@H+](Cc3csc([N+](=O)[O-])c3)CC23CCOCC3)cn1 ZINC000449464183 514219436 /nfs/dbraw/zinc/21/94/36/514219436.db2.gz XXFGMCVRJLFQBH-HNNXBMFYSA-N 1 0 362.455 2.786 20 5 FFBDRO Cn1cc(C[N@@H+]2CC[C@@H]3C[C@@H](O)CC[C@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000449558871 514254947 /nfs/dbraw/zinc/25/49/47/514254947.db2.gz XEJBXNAGRUUYSY-GJYPPUQNSA-N 1 0 370.453 2.978 20 5 FFBDRO Cn1nccc1[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000449596762 514266435 /nfs/dbraw/zinc/26/64/35/514266435.db2.gz YEYLRBIJEXTFMI-BLLLJJGKSA-N 1 0 350.806 2.992 20 5 FFBDRO CCOc1cc(NC(=O)N2C[C@@H](C[NH3+])C[C@H]2C)c([N+](=O)[O-])cc1OCC ZINC000414756203 514277081 /nfs/dbraw/zinc/27/70/81/514277081.db2.gz IZKNBUNPMVZDAN-VXGBXAGGSA-N 1 0 366.418 2.593 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N(C)C3(C[NH3+])CCC3)cc2[N+](=O)[O-])CC1 ZINC000449664002 514290022 /nfs/dbraw/zinc/29/00/22/514290022.db2.gz BBDYJENDABPHOD-UHFFFAOYSA-N 1 0 360.458 2.785 20 5 FFBDRO C[N@@H+](Cc1cc(F)cc(F)c1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000444697800 514297988 /nfs/dbraw/zinc/29/79/88/514297988.db2.gz ZAVWZGNFQACLAW-MRXNPFEDSA-N 1 0 352.337 2.745 20 5 FFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000449698495 514311076 /nfs/dbraw/zinc/31/10/76/514311076.db2.gz NCVNAQMRVYVZDW-KBPBESRZSA-N 1 0 351.834 2.639 20 5 FFBDRO COc1ccc(C[NH2+][C@H]2C[C@@H](O)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000449746402 514333026 /nfs/dbraw/zinc/33/30/26/514333026.db2.gz FVQHDDFJZFTTRH-WOVMCDHWSA-N 1 0 358.394 2.795 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N3CC[C@@H](C)[C@@H](C[NH3+])C3)cc2[N+](=O)[O-])CC1 ZINC000424011716 514340332 /nfs/dbraw/zinc/34/03/32/514340332.db2.gz JEUIQMLLKQIUDL-WBVHZDCISA-N 1 0 374.485 2.888 20 5 FFBDRO COc1ccc([C@@H]2CC[NH2+]C[C@H]2NCc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000414887605 514342028 /nfs/dbraw/zinc/34/20/28/514342028.db2.gz QTGLNCBBPLZNHP-PKOBYXMFSA-N 1 0 359.401 2.978 20 5 FFBDRO [NH3+][C@H]1Cc2ccccc2N(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000424074172 514369945 /nfs/dbraw/zinc/36/99/45/514369945.db2.gz JMBFRPPZWFWPQZ-AWEZNQCLSA-N 1 0 352.394 2.699 20 5 FFBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)C[C@H]21 ZINC000414956307 514375153 /nfs/dbraw/zinc/37/51/53/514375153.db2.gz VEWLHXNMLNPMDB-MVWJERBFSA-N 1 0 370.356 2.787 20 5 FFBDRO CS(=O)(=O)CCCC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000424175991 514406218 /nfs/dbraw/zinc/40/62/18/514406218.db2.gz WMRXQXINEVRGIR-UHFFFAOYSA-N 1 0 352.412 2.769 20 5 FFBDRO CC1(C)C[C@@H]([NH2+][C@H]2CCN(C3CCOCC3)C2=O)c2cc([N+](=O)[O-])ccc21 ZINC000433286134 514445176 /nfs/dbraw/zinc/44/51/76/514445176.db2.gz NLERNMGGOVNNBK-ZWKOTPCHSA-N 1 0 373.453 2.687 20 5 FFBDRO CN(c1ccccc1)c1ccc(CN2CCCO[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000415107001 514447354 /nfs/dbraw/zinc/44/73/54/514447354.db2.gz KHGVXKPCKNJVSG-SFHVURJKSA-N 1 0 370.453 2.912 20 5 FFBDRO [NH3+][C@H]1CCO[C@@H](C2CCN(Cc3ccc([N+](=O)[O-])cc3Cl)CC2)C1 ZINC000415119910 514450946 /nfs/dbraw/zinc/45/09/46/514450946.db2.gz FUJZHZVBNZPSIS-WMLDXEAASA-N 1 0 353.850 2.967 20 5 FFBDRO Cn1cc(CN2C[C@H]([NH3+])Cc3ccccc32)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000415132526 514460654 /nfs/dbraw/zinc/46/06/54/514460654.db2.gz CJPGNZKUXINXLJ-QGZVFWFLSA-N 1 0 363.421 2.885 20 5 FFBDRO Cc1cc(NC(=O)c2cc([N+](=O)[O-])cnc2C)ccc1OCC[NH+](C)C ZINC000458191264 514614813 /nfs/dbraw/zinc/61/48/13/514614813.db2.gz GDXKKKDMTABQTD-UHFFFAOYSA-N 1 0 358.398 2.799 20 5 FFBDRO CCOc1cc(N2CC[NH+](C[C@H]3CCSC3)CC2)ccc1[N+](=O)[O-] ZINC000475513126 514698012 /nfs/dbraw/zinc/69/80/12/514698012.db2.gz QWZZOPMWZPBXQZ-CQSZACIVSA-N 1 0 351.472 2.869 20 5 FFBDRO COc1ccc(-c2ccc(C[N@@H+]3CC[C@](C)(C(N)=O)C3)o2)c([N+](=O)[O-])c1 ZINC000475664901 514752652 /nfs/dbraw/zinc/75/26/52/514752652.db2.gz AOVAOQGDYLUFCX-SFHVURJKSA-N 1 0 359.382 2.561 20 5 FFBDRO Cc1cc(N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)c(F)cc1[N+](=O)[O-] ZINC000461953272 514803983 /nfs/dbraw/zinc/80/39/83/514803983.db2.gz AUDSNUZKTDDUKC-HNNXBMFYSA-N 1 0 354.426 2.547 20 5 FFBDRO Cc1ccc([C@@H](C)[NH2+]CCCN2C(=O)NC3(CCCC3)C2=O)cc1[N+](=O)[O-] ZINC000480171014 514861844 /nfs/dbraw/zinc/86/18/44/514861844.db2.gz YHONGPBFRHVFCM-CQSZACIVSA-N 1 0 374.441 2.809 20 5 FFBDRO Cc1c([C@@H](C)[NH2+]CCCN2C(=O)NC3(CCCC3)C2=O)cccc1[N+](=O)[O-] ZINC000480170705 514862045 /nfs/dbraw/zinc/86/20/45/514862045.db2.gz QZSILUWENHMKML-CQSZACIVSA-N 1 0 374.441 2.809 20 5 FFBDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000498366601 514883843 /nfs/dbraw/zinc/88/38/43/514883843.db2.gz XZLHYDSQVCPGMJ-HUUCEWRRSA-N 1 0 360.439 2.723 20 5 FFBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000458621938 514962348 /nfs/dbraw/zinc/96/23/48/514962348.db2.gz DPCDRWXHWNBHKR-ZDUSSCGKSA-N 1 0 368.865 2.822 20 5 FFBDRO [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000471778413 515008262 /nfs/dbraw/zinc/00/82/62/515008262.db2.gz DVSQQTZTZGYQRE-YJBOKZPZSA-N 1 0 356.426 2.735 20 5 FFBDRO [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000471778412 515008415 /nfs/dbraw/zinc/00/84/15/515008415.db2.gz DVSQQTZTZGYQRE-QAPCUYQASA-N 1 0 356.426 2.735 20 5 FFBDRO C[NH+](C)CCCC(C)(C)NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000456195969 515015317 /nfs/dbraw/zinc/01/53/17/515015317.db2.gz HJPYOPOHJOIVJB-UHFFFAOYSA-N 1 0 359.430 2.631 20 5 FFBDRO C[NH+](C)CC(C)(C)CNc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000462446081 515055336 /nfs/dbraw/zinc/05/53/36/515055336.db2.gz OUFNJSWTGVONPI-UHFFFAOYSA-N 1 0 358.442 2.990 20 5 FFBDRO CCc1ccc(C(=O)NCC(C)(C)[NH+]2CCC(OC)CC2)cc1[N+](=O)[O-] ZINC000471964972 515071136 /nfs/dbraw/zinc/07/11/36/515071136.db2.gz PSWZDSQICDZYJT-UHFFFAOYSA-N 1 0 363.458 2.776 20 5 FFBDRO CC(C)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)C1 ZINC000462481511 515075164 /nfs/dbraw/zinc/07/51/64/515075164.db2.gz ASAQLWNEUWVSHD-MRXNPFEDSA-N 1 0 356.426 2.885 20 5 FFBDRO COc1cc(N2CCC(CC[NH+]3CCOCC3)CC2)c([N+](=O)[O-])cc1F ZINC000467769101 515110872 /nfs/dbraw/zinc/11/08/72/515110872.db2.gz IFGZUCXSZVRONC-UHFFFAOYSA-N 1 0 367.421 2.681 20 5 FFBDRO C[C@H](CN1CCN(c2ccccn2)CC1)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000467855910 515148273 /nfs/dbraw/zinc/14/82/73/515148273.db2.gz OIDJVVUBUVOKRO-IAGOWNOFSA-N 1 0 369.469 2.851 20 5 FFBDRO Cc1ccc(C)c(S(=O)(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)c1[N+](=O)[O-] ZINC000481031678 515179732 /nfs/dbraw/zinc/17/97/32/515179732.db2.gz COEYAKGYRWSLRO-AWEZNQCLSA-N 1 0 371.503 2.856 20 5 FFBDRO C[C@H](CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)[N@@H+]1CCC[C@@H](C)C1 ZINC000485824629 515204267 /nfs/dbraw/zinc/20/42/67/515204267.db2.gz ZWSLRBVJPVKRQN-VXGBXAGGSA-N 1 0 355.385 2.652 20 5 FFBDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000509528479 515219314 /nfs/dbraw/zinc/21/93/14/515219314.db2.gz QPFZAXDJFCVSPR-OAHLLOKOSA-N 1 0 356.430 2.510 20 5 FFBDRO CC(C)[NH+](CCN(C)C(=O)CCNc1ccccc1[N+](=O)[O-])C(C)C ZINC000504126560 515225377 /nfs/dbraw/zinc/22/53/77/515225377.db2.gz BRBSENORSCYHDC-UHFFFAOYSA-N 1 0 350.463 2.974 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3CCCC[C@H]32)c1 ZINC000485878584 515231045 /nfs/dbraw/zinc/23/10/45/515231045.db2.gz YBLSXIIAQALGEU-IYWMVGAKSA-N 1 0 370.453 2.810 20 5 FFBDRO O=[N+]([O-])c1ccc(CN2CCOCC2)cc1NCC[NH+]1CCCCCC1 ZINC000472345552 515236407 /nfs/dbraw/zinc/23/64/07/515236407.db2.gz FMLQHMFBMXDALA-UHFFFAOYSA-N 1 0 362.474 2.715 20 5 FFBDRO CNc1c(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000462776128 515237696 /nfs/dbraw/zinc/23/76/96/515237696.db2.gz DWOSZURTWAOTNI-YJBOKZPZSA-N 1 0 354.410 2.812 20 5 FFBDRO Cc1c(Br)cc(C(=O)N2C[C@@H](C)N(C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000509591625 515248055 /nfs/dbraw/zinc/24/80/55/515248055.db2.gz JXVBXULEXCNTCU-NXEZZACHSA-N 1 0 370.247 2.830 20 5 FFBDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000472491286 515290756 /nfs/dbraw/zinc/29/07/56/515290756.db2.gz AVLRDZJBODVPCI-GJZGRUSLSA-N 1 0 370.453 2.820 20 5 FFBDRO O=C1[C@H]([N@@H+]2CCC[C@@]3(CCCOC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000477051874 515302819 /nfs/dbraw/zinc/30/28/19/515302819.db2.gz RBZSOYHJYGJXED-IEBWSBKVSA-N 1 0 359.426 2.593 20 5 FFBDRO CN(C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000486031901 515305067 /nfs/dbraw/zinc/30/50/67/515305067.db2.gz GLEUEZDBFCAFSS-KSSFIOAISA-N 1 0 366.425 2.995 20 5 FFBDRO CC[C@H](CNC(=O)c1c(N)cccc1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000499541463 515364468 /nfs/dbraw/zinc/36/44/68/515364468.db2.gz QRDROVBVLGWZJX-MRXNPFEDSA-N 1 0 368.437 2.744 20 5 FFBDRO CC[NH+]1CCC(NCc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])CC1 ZINC000491056498 515367053 /nfs/dbraw/zinc/36/70/53/515367053.db2.gz BKHYJEWUQJVDEQ-UHFFFAOYSA-N 1 0 373.400 2.821 20 5 FFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCN1CCOC[C@@H]1C ZINC000504899781 515405112 /nfs/dbraw/zinc/40/51/12/515405112.db2.gz MBBCHCKISMSOAI-LSDHHAIUSA-N 1 0 353.488 2.776 20 5 FFBDRO C[C@@]1(c2ccccc2)CCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000510089589 515430477 /nfs/dbraw/zinc/43/04/77/515430477.db2.gz WXABREHIBCKDLP-RBUKOAKNSA-N 1 0 358.442 2.596 20 5 FFBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)CN(C)c2ccccc2[N+](=O)[O-])C1 ZINC000463399836 515475461 /nfs/dbraw/zinc/47/54/61/515475461.db2.gz KRSAUSQSMKZURC-HZPDHXFCSA-N 1 0 362.474 2.515 20 5 FFBDRO CCOc1cc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)ccc1O ZINC000459347179 515491822 /nfs/dbraw/zinc/49/18/22/515491822.db2.gz POSWQIJHKJUSTK-AWEZNQCLSA-N 1 0 358.398 2.781 20 5 FFBDRO CCO[C@@H]1C[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)[C@H]1Sc1ccccc1 ZINC000459452721 515563581 /nfs/dbraw/zinc/56/35/81/515563581.db2.gz WLWKLCAGNBENBT-GVDBMIGSSA-N 1 0 362.455 2.719 20 5 FFBDRO CCCN(CC[NH+]1CCCCC1)S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000510523845 515567637 /nfs/dbraw/zinc/56/76/37/515567637.db2.gz VNBAITLSQACUBZ-UHFFFAOYSA-N 1 0 369.487 2.790 20 5 FFBDRO CCC[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(OC)c2)CC[N@@H+]1CCOC ZINC000492835972 515569234 /nfs/dbraw/zinc/56/92/34/515569234.db2.gz UJIMFDUCVUHQNR-MRXNPFEDSA-N 1 0 351.447 2.536 20 5 FFBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])C[C@@H]1C ZINC000500122176 515598373 /nfs/dbraw/zinc/59/83/73/515598373.db2.gz OALMKLUFYQOBMM-RYUDHWBXSA-N 1 0 367.471 2.880 20 5 FFBDRO C[NH+](C)C1(CNc2c(Br)cncc2[N+](=O)[O-])CCCCC1 ZINC000500280615 515655756 /nfs/dbraw/zinc/65/57/56/515655756.db2.gz NQIZISWBQCDXJN-UHFFFAOYSA-N 1 0 357.252 2.851 20 5 FFBDRO COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)c2ccc([N+](=O)[O-])n2C)cc1 ZINC000500417755 515701034 /nfs/dbraw/zinc/70/10/34/515701034.db2.gz BLUDTWXKBCIGKQ-INIZCTEOSA-N 1 0 372.425 2.509 20 5 FFBDRO C[C@@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1nc2c(s1)CCC2 ZINC000459632187 515709207 /nfs/dbraw/zinc/70/92/07/515709207.db2.gz DXOMKJPPUUFZAW-YPMHNXCESA-N 1 0 363.439 2.631 20 5 FFBDRO COc1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)ccc1[N+](=O)[O-] ZINC000494068635 515723543 /nfs/dbraw/zinc/72/35/43/515723543.db2.gz JAFNWAUNPSJCKU-YOEHRIQHSA-N 1 0 369.421 2.996 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+][C@@H](C)c2cncc(F)c2)cc1[N+](=O)[O-] ZINC000459658797 515725986 /nfs/dbraw/zinc/72/59/86/515725986.db2.gz YUXWTYDTCNDBIS-NSHDSACASA-N 1 0 363.345 2.532 20 5 FFBDRO C[C@H]1[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1Cc1ccccc1 ZINC000494070187 515727103 /nfs/dbraw/zinc/72/71/03/515727103.db2.gz VOEDGIWECGYNNV-HNAYVOBHSA-N 1 0 353.422 2.917 20 5 FFBDRO CC[N@H+](CCNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000487035142 515728905 /nfs/dbraw/zinc/72/89/05/515728905.db2.gz UKDICOBJGYWZNW-UHFFFAOYSA-N 1 0 354.838 2.574 20 5 FFBDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)c3cc([N+](=O)[O-])n[nH]3)cc2)C1 ZINC000506357386 515856814 /nfs/dbraw/zinc/85/68/14/515856814.db2.gz QSWOEKORGQLCCT-ZIAGYGMSSA-N 1 0 371.441 2.726 20 5 FFBDRO O=C(CC[C@@H]1CCC[NH2+]1)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000494515347 515869330 /nfs/dbraw/zinc/86/93/30/515869330.db2.gz PXLOSWITONACMS-LBPRGKRZSA-N 1 0 374.363 2.674 20 5 FFBDRO CCC1(CC)C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCS1 ZINC000464589556 515884677 /nfs/dbraw/zinc/88/46/77/515884677.db2.gz YSGPKSIITGIMNK-HNNXBMFYSA-N 1 0 354.472 2.942 20 5 FFBDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCc1c([N+](=O)[O-])ncn1C ZINC000469764073 515955937 /nfs/dbraw/zinc/95/59/37/515955937.db2.gz NDDBUGOJRHNKQJ-HWWDLCQESA-N 1 0 357.458 2.575 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2CCC[C@@H](SC)C2)cc1[N+](=O)[O-] ZINC000474364876 516013410 /nfs/dbraw/zinc/01/34/10/516013410.db2.gz CIZOLSSHZIBHCQ-ZIAGYGMSSA-N 1 0 368.455 2.910 20 5 FFBDRO C[NH+](C)C[C@H]1CCCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000464933247 516018871 /nfs/dbraw/zinc/01/88/71/516018871.db2.gz GHLLIRSFOVZOCP-CQSZACIVSA-N 1 0 360.439 2.885 20 5 FFBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000487895194 516022324 /nfs/dbraw/zinc/02/23/24/516022324.db2.gz JWBUKVQBBQJDQX-CABCVRRESA-N 1 0 368.865 2.963 20 5 FFBDRO CC(C)(CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)C[NH+]1CCCC1 ZINC000479069466 516045248 /nfs/dbraw/zinc/04/52/48/516045248.db2.gz PXXQDVQGIKFFRQ-UHFFFAOYSA-N 1 0 360.458 2.785 20 5 FFBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1 ZINC000488028081 516085971 /nfs/dbraw/zinc/08/59/71/516085971.db2.gz SGOHGLFXGBDLPN-RLFYNMQTSA-N 1 0 360.458 2.509 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N(C)CC[N@H+](C)C3CC3)cc2[N+](=O)[O-])C1 ZINC000474564503 516097435 /nfs/dbraw/zinc/09/74/35/516097435.db2.gz TZPSEJBHPHFXPL-OAHLLOKOSA-N 1 0 374.485 2.997 20 5 FFBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000488075354 516106786 /nfs/dbraw/zinc/10/67/86/516106786.db2.gz OKSGYIPEDQKAIL-CABCVRRESA-N 1 0 366.849 2.717 20 5 FFBDRO COc1cc(C[NH2+]C[C@](C)(CO)Cc2ccccc2)c([N+](=O)[O-])cc1OC ZINC000483650904 516157577 /nfs/dbraw/zinc/15/75/77/516157577.db2.gz YORARYHXRSLSKO-HXUWFJFHSA-N 1 0 374.437 2.943 20 5 FFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000470170582 516160012 /nfs/dbraw/zinc/16/00/12/516160012.db2.gz XLDKBAZJJWKQKN-QIPRVMPFSA-N 1 0 373.453 2.569 20 5 FFBDRO CCC[C@H]1CN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC[N@@H+]1CCOC ZINC000501596650 516166892 /nfs/dbraw/zinc/16/68/92/516166892.db2.gz ZEDCGJGKSWCMAP-HNNXBMFYSA-N 1 0 374.441 2.649 20 5 FFBDRO CC[C@@H](C)[C@@H]([NH3+])C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000496224822 516246035 /nfs/dbraw/zinc/24/60/35/516246035.db2.gz UVEUOEBMZUKONW-NOZJJQNGSA-N 1 0 362.352 2.515 20 5 FFBDRO CC(C)(C)[C@@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000507688769 516284005 /nfs/dbraw/zinc/28/40/05/516284005.db2.gz OVKLOUQDGKSZKT-MRXNPFEDSA-N 1 0 371.441 2.521 20 5 FFBDRO CCOC(=O)c1cc(N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000488741185 516298012 /nfs/dbraw/zinc/29/80/12/516298012.db2.gz BLZCGOZKVSEBHT-QWQRMKEZSA-N 1 0 361.442 2.938 20 5 FFBDRO CCCCN(CCCC)C(=O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000488776664 516305775 /nfs/dbraw/zinc/30/57/75/516305775.db2.gz OUPUICQBDNCGSP-UHFFFAOYSA-N 1 0 365.478 2.857 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H]2CCC[N@H+](CC(C)C)C2)n1 ZINC000557639234 516351135 /nfs/dbraw/zinc/35/11/35/516351135.db2.gz KTSGVSDCVODPAX-CYBMUJFWSA-N 1 0 350.419 2.556 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]C1CCN(c2cnccn2)CC1 ZINC000543704060 516378797 /nfs/dbraw/zinc/37/87/97/516378797.db2.gz DKNJLHDTTPNKFL-UHFFFAOYSA-N 1 0 361.833 2.839 20 5 FFBDRO Cc1cnc(N(C)CCN2CC[NH+](Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000557696382 516388183 /nfs/dbraw/zinc/38/81/83/516388183.db2.gz DDSRHRDYOYQZIE-UHFFFAOYSA-N 1 0 369.469 2.552 20 5 FFBDRO O=C1c2ccccc2C(=O)N1CCC[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000512875171 516396469 /nfs/dbraw/zinc/39/64/69/516396469.db2.gz ZURRLFFHIVWBQP-YVMONPNESA-N 1 0 365.389 2.884 20 5 FFBDRO CCc1ccc([C@@H](CO)[NH2+]CC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000543842915 516454680 /nfs/dbraw/zinc/45/46/80/516454680.db2.gz SKGANIAMNMTNPJ-GOSISDBHSA-N 1 0 357.410 2.727 20 5 FFBDRO Cc1cc(C)c(S(=O)(=O)N(CCC[NH3+])CC2CCCC2)cc1[N+](=O)[O-] ZINC000517935211 516497710 /nfs/dbraw/zinc/49/77/10/516497710.db2.gz OXISQIYUDNRDCF-UHFFFAOYSA-N 1 0 369.487 2.741 20 5 FFBDRO O=C(C[NH2+][C@H](CCO)c1ccccc1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000540329344 516514155 /nfs/dbraw/zinc/51/41/55/516514155.db2.gz MIXMNIFBGHMIRB-OAHLLOKOSA-N 1 0 363.801 2.900 20 5 FFBDRO CCC1(CC)[C@H](OC)C[C@H]1[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000544072357 516568150 /nfs/dbraw/zinc/56/81/50/516568150.db2.gz VCPAIHQGOYAHRG-ZTFGCOKTSA-N 1 0 366.458 2.860 20 5 FFBDRO CCNC(=O)[C@@H](C)[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000518249313 516588494 /nfs/dbraw/zinc/58/84/94/516588494.db2.gz AHJWCAABLYYSLI-CQSZACIVSA-N 1 0 356.426 2.977 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)c1C ZINC000523862993 516596679 /nfs/dbraw/zinc/59/66/79/516596679.db2.gz GMMWFSHOUGIDSH-MRXNPFEDSA-N 1 0 371.503 2.856 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H]1[C@H](C)[C@@H](OC)C1(C)C ZINC000561503286 516620295 /nfs/dbraw/zinc/62/02/95/516620295.db2.gz ACWWSPUXDODKNA-DPDCMNJDSA-N 1 0 365.430 2.580 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)c1 ZINC000540614454 516642207 /nfs/dbraw/zinc/64/22/07/516642207.db2.gz PCRDTGLQIKTONH-MRXNPFEDSA-N 1 0 363.458 2.909 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC([N@H+](C)Cc2ccccc2)C1 ZINC000558230092 516658340 /nfs/dbraw/zinc/65/83/40/516658340.db2.gz PZXNVCQCOFJEQN-UHFFFAOYSA-N 1 0 370.409 2.952 20 5 FFBDRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000531851571 516675915 /nfs/dbraw/zinc/67/59/15/516675915.db2.gz ZEKJNKWNOBGDJG-UHFFFAOYSA-N 1 0 364.471 2.979 20 5 FFBDRO O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000513723554 516732020 /nfs/dbraw/zinc/73/20/20/516732020.db2.gz FPACIKMKRKPEJN-ZDUSSCGKSA-N 1 0 369.368 2.897 20 5 FFBDRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000524485594 516735051 /nfs/dbraw/zinc/73/50/51/516735051.db2.gz XESJJWIULRGPPB-RYUDHWBXSA-N 1 0 366.437 2.802 20 5 FFBDRO CSc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])cn2C)[NH+](C)C)cc1 ZINC000561727443 516735011 /nfs/dbraw/zinc/73/50/11/516735011.db2.gz XMNKLXLZHFWKHG-MRXNPFEDSA-N 1 0 362.455 2.688 20 5 FFBDRO CC[C@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1c(C)nn(C)c1C ZINC000544418369 516751238 /nfs/dbraw/zinc/75/12/38/516751238.db2.gz NHVZNLPHKHNTRG-DLBZAZTESA-N 1 0 371.441 2.791 20 5 FFBDRO C[C@@H](NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)C1=CC[N@H+](C)CC1 ZINC000541025123 516835928 /nfs/dbraw/zinc/83/59/28/516835928.db2.gz DJNSFGOSPYZQID-SNVBAGLBSA-N 1 0 355.341 2.576 20 5 FFBDRO C[NH+](C)C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1N)c1ccc(Cl)cc1 ZINC000555228967 516841223 /nfs/dbraw/zinc/84/12/23/516841223.db2.gz ACXPQLKKVPGGPD-CQSZACIVSA-N 1 0 362.817 2.863 20 5 FFBDRO COc1ccc(-c2ccc(C[NH2+][C@@H]3CCC[C@@H](C(N)=O)C3)o2)c([N+](=O)[O-])c1 ZINC000532209709 516859107 /nfs/dbraw/zinc/85/91/07/516859107.db2.gz QVIQTZXQXZFUFV-CHWSQXEVSA-N 1 0 373.409 2.997 20 5 FFBDRO C[C@@H](c1cccc(NC(=O)c2cc([N+](=O)[O-])cn2C)c1)N1CCOCC1 ZINC000519132762 516895895 /nfs/dbraw/zinc/89/58/95/516895895.db2.gz AWGCAUZBUXHEKX-ZDUSSCGKSA-N 1 0 358.398 2.579 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000525105566 516918859 /nfs/dbraw/zinc/91/88/59/516918859.db2.gz IYQRQKQRTFHKTD-GMXVVIOVSA-N 1 0 355.822 2.614 20 5 FFBDRO C[C@H]1CC[N@H+](CCNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000525291264 516995006 /nfs/dbraw/zinc/99/50/06/516995006.db2.gz BOQVESYHISDJST-INIZCTEOSA-N 1 0 363.461 2.613 20 5 FFBDRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000562272870 517000178 /nfs/dbraw/zinc/00/01/78/517000178.db2.gz JGYWQCVJRCKRHM-GOSISDBHSA-N 1 0 373.457 2.600 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C[C@H]1C ZINC000525396031 517028408 /nfs/dbraw/zinc/02/84/08/517028408.db2.gz KRAKLPRVNUDROD-RDTXWAMCSA-N 1 0 371.441 2.725 20 5 FFBDRO CC[NH+]1CCC(N(C)c2ncc([N+](=O)[O-])c(C)c2Br)CC1 ZINC000541577564 517122339 /nfs/dbraw/zinc/12/23/39/517122339.db2.gz CVBWKPKWWKEWBE-UHFFFAOYSA-N 1 0 357.252 2.981 20 5 FFBDRO COc1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)c([N+](=O)[O-])cc1OC ZINC000552190220 517132230 /nfs/dbraw/zinc/13/22/30/517132230.db2.gz CWKCLRQDWNYIFS-ZIAGYGMSSA-N 1 0 350.415 2.861 20 5 FFBDRO C[C@@H](C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)S(C)(=O)=O ZINC000532809256 517155955 /nfs/dbraw/zinc/15/59/55/517155955.db2.gz MFXXOOLDOZFFGH-NSHDSACASA-N 1 0 354.453 2.846 20 5 FFBDRO [NH3+]C1(CNC(=O)NCc2cccc([N+](=O)[O-])c2)C2CC3CC(C2)CC1C3 ZINC000515004235 517164908 /nfs/dbraw/zinc/16/49/08/517164908.db2.gz XHECISIPKSKBLE-UHFFFAOYSA-N 1 0 358.442 2.548 20 5 FFBDRO CC(C)C[C@H](CNC(=O)c1c([N+](=O)[O-])cnn1C)[NH2+][C@@H](C)c1ccccc1 ZINC000537519472 517217574 /nfs/dbraw/zinc/21/75/74/517217574.db2.gz DEYYYMLBGTUJMB-GOEBONIOSA-N 1 0 373.457 2.824 20 5 FFBDRO CC1(C)C[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]2CCC[C@H]21 ZINC000559424971 517248303 /nfs/dbraw/zinc/24/83/03/517248303.db2.gz FTPIHDLQBCLCLL-DGCLKSJQSA-N 1 0 361.398 2.773 20 5 FFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC[C@@H]1C(=O)NC ZINC000552578201 517313438 /nfs/dbraw/zinc/31/34/38/517313438.db2.gz XIHFKZAYGHMDQF-HZSPNIEDSA-N 1 0 351.472 2.970 20 5 FFBDRO Cc1ccccc1[C@H](CO)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000541981411 517319073 /nfs/dbraw/zinc/31/90/73/517319073.db2.gz AXCLNPVTLHNGSX-SFHVURJKSA-N 1 0 357.410 2.863 20 5 FFBDRO C[N@@H+]1CC[C@@H](c2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)C1 ZINC000545762749 517359081 /nfs/dbraw/zinc/35/90/81/517359081.db2.gz PYIWRHFHAQMJOL-SNVBAGLBSA-N 1 0 367.203 2.750 20 5 FFBDRO C[NH+](C)CCc1ccccc1NC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000527087626 517497503 /nfs/dbraw/zinc/49/75/03/517497503.db2.gz QLZJICOOFOBCOL-UHFFFAOYSA-N 1 0 372.425 2.899 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CCCCOc3ccccc3)CC2)cn1 ZINC000527106520 517506868 /nfs/dbraw/zinc/50/68/68/517506868.db2.gz MYMQHUQKCZRDCB-UHFFFAOYSA-N 1 0 356.426 2.971 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000562975198 517546930 /nfs/dbraw/zinc/54/69/30/517546930.db2.gz HUEGDCLISSETJE-MEDUHNTESA-N 1 0 355.822 2.521 20 5 FFBDRO CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[NH+](CC(C)C)CC1 ZINC000549438853 517565453 /nfs/dbraw/zinc/56/54/53/517565453.db2.gz QGSJFOMQKAQVIS-UHFFFAOYSA-N 1 0 358.446 2.651 20 5 FFBDRO CNc1ccc(C(=O)Nc2ccc(OCC[NH+](C)C)cc2)cc1[N+](=O)[O-] ZINC000516126401 517577272 /nfs/dbraw/zinc/57/72/72/517577272.db2.gz XBWMXMNEOSZJBZ-UHFFFAOYSA-N 1 0 358.398 2.829 20 5 FFBDRO CCCc1n[nH]c(C(=O)NCCCC[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000521036534 517587516 /nfs/dbraw/zinc/58/75/16/517587516.db2.gz MMRLFHXZLCEUFH-UHFFFAOYSA-N 1 0 351.451 2.512 20 5 FFBDRO COc1ccc(CNC(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000516158266 517591729 /nfs/dbraw/zinc/59/17/29/517591729.db2.gz SEKFVQXAAWWZHE-KBPBESRZSA-N 1 0 364.446 2.666 20 5 FFBDRO CC[NH+](CC)CCOCCNc1ncc(Br)cc1[N+](=O)[O-] ZINC000542522738 517609489 /nfs/dbraw/zinc/60/94/89/517609489.db2.gz YQMUVVQFGLGUFY-UHFFFAOYSA-N 1 0 361.240 2.523 20 5 FFBDRO CNC(=O)COc1cccc(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])c1 ZINC000549558185 517618517 /nfs/dbraw/zinc/61/85/17/517618517.db2.gz HWCUNSPVOPSMNX-YVMONPNESA-N 1 0 355.394 2.523 20 5 FFBDRO Cn1cc([N+](=O)[O-])cc1-c1nc(-c2ccc(OCC[NH+](C)C)cc2)no1 ZINC000546292437 517628924 /nfs/dbraw/zinc/62/89/24/517628924.db2.gz KBPKDKGODFADLR-UHFFFAOYSA-N 1 0 357.370 2.591 20 5 FFBDRO C[C@H](CNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)[N@@H+]1CCC[C@H](C)C1 ZINC000533823974 517629928 /nfs/dbraw/zinc/62/99/28/517629928.db2.gz CKCFWNCEUNXKAI-LSDHHAIUSA-N 1 0 360.458 2.783 20 5 FFBDRO CCc1nn(C)c(N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1[N+](=O)[O-] ZINC000553337503 517653032 /nfs/dbraw/zinc/65/30/32/517653032.db2.gz LOTLBPDULMQNOE-FQEVSTJZSA-N 1 0 369.469 2.993 20 5 FFBDRO COCCNC(=O)[C@H](Cc1ccccc1)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000538551237 517666669 /nfs/dbraw/zinc/66/66/69/517666669.db2.gz MFZXMMLFTYZHOU-BEFAXECRSA-N 1 0 371.437 2.619 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@H](c2ccccc2F)C1 ZINC000549813501 517723723 /nfs/dbraw/zinc/72/37/23/517723723.db2.gz OZIGVOJUDQLXLP-GJZGRUSLSA-N 1 0 360.385 2.963 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(-n3cncn3)cc2)n1 ZINC000521560871 517775694 /nfs/dbraw/zinc/77/56/94/517775694.db2.gz SRXPDKCVSLKDGW-IAGOWNOFSA-N 1 0 367.413 2.646 20 5 FFBDRO CC[NH+](CC)[C@H]1CCN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000542891369 517800683 /nfs/dbraw/zinc/80/06/83/517800683.db2.gz BOCQGOXFQMIGIA-LBPRGKRZSA-N 1 0 357.357 2.753 20 5 FFBDRO COc1cc(C(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000521670965 517821112 /nfs/dbraw/zinc/82/11/12/517821112.db2.gz CPTNZLOLAIQJRK-BETUJISGSA-N 1 0 365.430 2.605 20 5 FFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCN1CCO[C@H](C)C1 ZINC000534331532 517854828 /nfs/dbraw/zinc/85/48/28/517854828.db2.gz MFEODIOUCLFWLB-CABCVRRESA-N 1 0 353.488 2.776 20 5 FFBDRO C[C@@H]1C[C@@H](N[C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC000560524577 517872206 /nfs/dbraw/zinc/87/22/06/517872206.db2.gz GWANERQKUTYDLY-SIIHOXLZSA-N 1 0 355.442 2.633 20 5 FFBDRO CS(=O)(=O)[C@H]1CCC[C@@H]([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000560533525 517879040 /nfs/dbraw/zinc/87/90/40/517879040.db2.gz MZKZTMZYSHPINP-HIFRSBDPSA-N 1 0 365.455 2.564 20 5 FFBDRO CN(CCC[N@H+](C)Cc1ccco1)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000560538850 517880644 /nfs/dbraw/zinc/88/06/44/517880644.db2.gz USGRNJOKOSOFQH-UHFFFAOYSA-N 1 0 374.441 2.605 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCCN(S(=O)(=O)C2CC2)C1 ZINC000560558843 517895372 /nfs/dbraw/zinc/89/53/72/517895372.db2.gz VFMWDEIZYHWROM-ZIAGYGMSSA-N 1 0 367.471 2.510 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C1CCN(S(=O)(=O)C2CC2)CC1 ZINC000539118862 517922668 /nfs/dbraw/zinc/92/26/68/517922668.db2.gz IDLDYBHEPJKMJE-CYBMUJFWSA-N 1 0 367.471 2.510 20 5 FFBDRO C[C@@H]([NH3+])c1ccc(CNC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)cc1 ZINC000557228082 517926120 /nfs/dbraw/zinc/92/61/20/517926120.db2.gz LNJKZHQTHSGIRX-CYBMUJFWSA-N 1 0 354.410 2.882 20 5 FFBDRO C[NH+](C)[C@@H](CC(=O)NCCOc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000563520589 517958206 /nfs/dbraw/zinc/95/82/06/517958206.db2.gz PQEOIIXDCIQVHM-SFHVURJKSA-N 1 0 357.410 2.783 20 5 FFBDRO CN(C)CC[N@H+](C)CCCNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000522032432 517958761 /nfs/dbraw/zinc/95/87/61/517958761.db2.gz CEBDEQJEADLYJY-UHFFFAOYSA-N 1 0 364.490 2.506 20 5 FFBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000554115884 518067659 /nfs/dbraw/zinc/06/76/59/518067659.db2.gz WKZNXJZVVOPNJF-MAUKXSAKSA-N 1 0 360.458 2.872 20 5 FFBDRO O=[N+]([O-])c1cccc2ncnc(NCC3([NH+]4CCSCC4)CCCC3)c21 ZINC000543437728 518090814 /nfs/dbraw/zinc/09/08/14/518090814.db2.gz RZBOEYNBGNGBGJ-UHFFFAOYSA-N 1 0 373.482 2.733 20 5 FFBDRO CS[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC(C)C)C[C@@H]1[NH+](C)C ZINC000534951806 518096290 /nfs/dbraw/zinc/09/62/90/518096290.db2.gz MPTAHRLKGTYITP-RDJZCZTQSA-N 1 0 353.488 2.859 20 5 FFBDRO CN1Cc2ccccc2[C@@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000534996024 518111793 /nfs/dbraw/zinc/11/17/93/518111793.db2.gz JYIQSPWLHBDZSX-INIZCTEOSA-N 1 0 350.378 2.993 20 5 FFBDRO CC[NH+](CC)[C@@H](CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000522482652 518117475 /nfs/dbraw/zinc/11/74/75/518117475.db2.gz ZXZLVTHFIJLKTI-KRWDZBQOSA-N 1 0 373.457 2.726 20 5 FFBDRO CC[NH+](CC)CCOc1ccc(CNC(=O)c2cc([N+](=O)[O-])cn2C)cc1 ZINC000517372292 518131696 /nfs/dbraw/zinc/13/16/96/518131696.db2.gz APSHUZPIEVQVLY-UHFFFAOYSA-N 1 0 374.441 2.584 20 5 FFBDRO C[C@@H](CNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)[N@@H+]1CCCC[C@@H]1C ZINC000535282375 518173054 /nfs/dbraw/zinc/17/30/54/518173054.db2.gz VVUAHSCYWNADNB-GJZGRUSLSA-N 1 0 360.458 2.925 20 5 FFBDRO COC(=O)c1cc(C[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])cn1C ZINC000572526147 518233073 /nfs/dbraw/zinc/23/30/73/518233073.db2.gz WVNAUMSHBBOHDP-UHFFFAOYSA-N 1 0 351.790 2.706 20 5 FFBDRO O=C(CC[NH2+]C[C@H](CCO)c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000584292048 518268433 /nfs/dbraw/zinc/26/84/33/518268433.db2.gz RHELKVQNTMVQCW-INIZCTEOSA-N 1 0 357.410 2.679 20 5 FFBDRO Cc1n[nH]c(C(=O)NC[C@H](c2ccc(CC(C)C)cc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000564029837 518274475 /nfs/dbraw/zinc/27/44/75/518274475.db2.gz PRKILFJVAYJIGO-MRXNPFEDSA-N 1 0 373.457 2.858 20 5 FFBDRO COc1ccc(OCC[N@@H+]2CCC[C@H]2[C@@H]2CCCOC2)c([N+](=O)[O-])c1 ZINC000584409122 518327174 /nfs/dbraw/zinc/32/71/74/518327174.db2.gz LYJSKNOPMKYMCL-ZBFHGGJFSA-N 1 0 350.415 2.873 20 5 FFBDRO CSC1(CNC(=O)CSc2ccc([N+](=O)[O-])cc2)CC[NH+](C)CC1 ZINC000569974179 518382433 /nfs/dbraw/zinc/38/24/33/518382433.db2.gz BBMIZRXZDCZYQC-UHFFFAOYSA-N 1 0 369.512 2.631 20 5 FFBDRO CCn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)cn1 ZINC000581643198 518383847 /nfs/dbraw/zinc/38/38/47/518383847.db2.gz OLIVRWYXDIXEAE-XVSDVWIESA-N 1 0 371.441 2.790 20 5 FFBDRO CC[N@@H+]1C[C@H](C)N(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@H]1C ZINC000567207133 518405253 /nfs/dbraw/zinc/40/52/53/518405253.db2.gz GWXOAQIESFZKPX-KGLIPLIRSA-N 1 0 373.457 2.743 20 5 FFBDRO CNc1ccc(C(=O)N[C@H](C[NH+](C)C)c2ccc(OC)cc2)cc1[N+](=O)[O-] ZINC000581683486 518406329 /nfs/dbraw/zinc/40/63/29/518406329.db2.gz UAVNVLXWKAROSU-QGZVFWFLSA-N 1 0 372.425 2.678 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C(=O)N(C)CCC[N@H+](C)Cc2ccncc2)c1 ZINC000581846484 518465401 /nfs/dbraw/zinc/46/54/01/518465401.db2.gz UHRDXZHNIPNCRF-UHFFFAOYSA-N 1 0 372.425 2.593 20 5 FFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)cc1 ZINC000576194429 518472995 /nfs/dbraw/zinc/47/29/95/518472995.db2.gz CLOZVSFDNAZLSQ-UYAOXDASSA-N 1 0 355.438 2.567 20 5 FFBDRO COC(=O)c1cc(C)nc(N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000579154213 518546322 /nfs/dbraw/zinc/54/63/22/518546322.db2.gz XLVSUTXSHGAQOS-YRGRVCCFSA-N 1 0 364.446 2.863 20 5 FFBDRO COCCCn1nccc1C[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000579157746 518547817 /nfs/dbraw/zinc/54/78/17/518547817.db2.gz ZSNSBSFUHRJBLB-UHFFFAOYSA-N 1 0 357.414 2.641 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CCCc3ccc4c(c3)CCO4)CC2)cn1 ZINC000564813628 518628251 /nfs/dbraw/zinc/62/82/51/518628251.db2.gz BMEYCOZRDYLZCD-UHFFFAOYSA-N 1 0 368.437 2.680 20 5 FFBDRO CC(C)[C@@H](C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1cccnc1 ZINC000570564351 518669484 /nfs/dbraw/zinc/66/94/84/518669484.db2.gz NBEMZJUXGPPYJB-PKOBYXMFSA-N 1 0 359.426 2.759 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C2CCC(c3ccc(F)cc3)CC2)c1 ZINC000573480153 518685463 /nfs/dbraw/zinc/68/54/63/518685463.db2.gz GUNDWGWIFLXXEC-PVARCSIZSA-N 1 0 362.405 2.607 20 5 FFBDRO CSCc1ccc(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000579464754 518693754 /nfs/dbraw/zinc/69/37/54/518693754.db2.gz OJDOFOXCAAUTII-QGZVFWFLSA-N 1 0 362.451 2.987 20 5 FFBDRO C[C@H](NC(=O)N1CCc2ccccc2[C@H]1C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000564935548 518703419 /nfs/dbraw/zinc/70/34/19/518703419.db2.gz DMYGHDLRQQHIQZ-SCLBCKFNSA-N 1 0 354.410 2.924 20 5 FFBDRO [NH3+]C1(CNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CCCCC1 ZINC000564982994 518729011 /nfs/dbraw/zinc/72/90/11/518729011.db2.gz GANWXNKSHMWDOZ-UHFFFAOYSA-N 1 0 360.458 2.589 20 5 FFBDRO C[NH+](C)C1(CNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CCCCC1 ZINC000570755352 518762279 /nfs/dbraw/zinc/76/22/79/518762279.db2.gz RQFQRGJERNEABB-UHFFFAOYSA-N 1 0 355.385 2.796 20 5 FFBDRO CSc1ccc(F)cc1C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000573676998 518781739 /nfs/dbraw/zinc/78/17/39/518781739.db2.gz XYKLGZIVVBRVPB-AWEZNQCLSA-N 1 0 366.414 2.985 20 5 FFBDRO CN(C)C(=O)[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000582497527 518784206 /nfs/dbraw/zinc/78/42/06/518784206.db2.gz VLRFESXVXYWSJZ-QZTJIDSGSA-N 1 0 353.422 2.871 20 5 FFBDRO CCCc1n[nH]c(C(=O)NC[C@H]([NH2+][C@@H](C)CC)c2ccco2)c1[N+](=O)[O-] ZINC000588766969 518824238 /nfs/dbraw/zinc/82/42/38/518824238.db2.gz RFPAZYPMKWCXKR-AAEUAGOBSA-N 1 0 363.418 2.723 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@@H]2CCN(CC(F)(F)F)C2)n1 ZINC000570896194 518829247 /nfs/dbraw/zinc/82/92/47/518829247.db2.gz AEPZYJLAXHLNGW-JHJVBQTASA-N 1 0 361.368 2.501 20 5 FFBDRO [NH3+][C@H]1CCc2ncc(NC(=O)Cc3ccc([N+](=O)[O-])cc3Cl)cc2C1 ZINC000582601253 518832478 /nfs/dbraw/zinc/83/24/78/518832478.db2.gz XQORIIOSNVKJHV-LBPRGKRZSA-N 1 0 360.801 2.640 20 5 FFBDRO [NH3+]CCOc1ccc(NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)cc1 ZINC000568055616 518852006 /nfs/dbraw/zinc/85/20/06/518852006.db2.gz ATZQKQZSLLFMPD-UHFFFAOYSA-N 1 0 356.382 2.523 20 5 FFBDRO [NH3+]Cc1ccc(CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000579834128 518877646 /nfs/dbraw/zinc/87/76/46/518877646.db2.gz QIBGDDRHGRQTDD-UHFFFAOYSA-N 1 0 354.410 2.928 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]Cc2cnn(CC(F)(F)F)c2)n1 ZINC000577051048 518891547 /nfs/dbraw/zinc/89/15/47/518891547.db2.gz GRMDYJCYDFBRGH-QWHCGFSZSA-N 1 0 372.351 2.824 20 5 FFBDRO CCc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])n[nH]2)[NH+](CC)CC)cc1 ZINC000571066017 518911260 /nfs/dbraw/zinc/91/12/60/518911260.db2.gz AUFPQSXMXUJYIN-INIZCTEOSA-N 1 0 359.430 2.693 20 5 FFBDRO CCCN(C(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000565358102 518916356 /nfs/dbraw/zinc/91/63/56/518916356.db2.gz YRVAECPGEDEOHL-NSHDSACASA-N 1 0 356.220 2.571 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCCN(c2ccccc2)C1 ZINC000579943803 518931224 /nfs/dbraw/zinc/93/12/24/518931224.db2.gz SUYOSBFYTBUKGZ-SJLPKXTDSA-N 1 0 371.437 2.593 20 5 FFBDRO C[NH+](C)CCN(Cc1ccccc1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000589190856 518945757 /nfs/dbraw/zinc/94/57/57/518945757.db2.gz IMRAXKIWWDPFLQ-UHFFFAOYSA-N 1 0 371.437 2.930 20 5 FFBDRO CC(C)c1nnc2n1C[C@H]([NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)CC2 ZINC000580033227 518969667 /nfs/dbraw/zinc/96/96/67/518969667.db2.gz DVSJUFWYIFIFKB-KFWWJZLASA-N 1 0 373.461 2.595 20 5 FFBDRO CSC1(CNC(=O)Nc2cccc([N+](=O)[O-])c2C)CC[NH+](C)CC1 ZINC000589315063 518980208 /nfs/dbraw/zinc/98/02/08/518980208.db2.gz ZPWNRWJKZFAVCT-UHFFFAOYSA-N 1 0 352.460 2.852 20 5 FFBDRO C[C@@H](CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)[N@@H+]1CCCC[C@H]1C ZINC000565502242 518987607 /nfs/dbraw/zinc/98/76/07/518987607.db2.gz ABTQXLHMEPZTKM-NEPJUHHUSA-N 1 0 355.385 2.795 20 5 FFBDRO C[NH+](C)CC1CCN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CC1 ZINC000577254600 518988350 /nfs/dbraw/zinc/98/83/50/518988350.db2.gz YNOFSIDFWJAIIB-UHFFFAOYSA-N 1 0 360.458 2.609 20 5 FFBDRO CSc1ccc(OC[C@@H](O)C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000568367072 519003286 /nfs/dbraw/zinc/00/32/86/519003286.db2.gz FVTDVDIVWHSKDO-INIZCTEOSA-N 1 0 362.451 2.889 20 5 FFBDRO CCCC[C@H](C(=O)Nc1cc(C)on1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000565544991 519010073 /nfs/dbraw/zinc/01/00/73/519010073.db2.gz PTNKTZWULQBNLU-QGZVFWFLSA-N 1 0 374.441 2.985 20 5 FFBDRO O=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)c1cc([N+](=O)[O-])c[nH]1 ZINC000589581606 519034589 /nfs/dbraw/zinc/03/45/89/519034589.db2.gz QWWKIFOGMHKYID-INIZCTEOSA-N 1 0 356.426 2.955 20 5 FFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H]([NH+](C)C)[C@@H](SC)C1 ZINC000574243332 519057442 /nfs/dbraw/zinc/05/74/42/519057442.db2.gz DTXRNLDSLRITPY-CABCVRRESA-N 1 0 352.460 2.667 20 5 FFBDRO Cc1ccc(C[C@@H](C)[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)s1 ZINC000568502568 519073204 /nfs/dbraw/zinc/07/32/04/519073204.db2.gz WBNIOHZMJWRYLT-IUODEOHRSA-N 1 0 350.440 2.925 20 5 FFBDRO COc1ccc(NC(=O)CC[NH2+][C@@H](CO)c2ccccc2C)c([N+](=O)[O-])c1 ZINC000577468691 519095874 /nfs/dbraw/zinc/09/58/74/519095874.db2.gz ZEZWCWZLNQJZAH-KRWDZBQOSA-N 1 0 373.409 2.564 20 5 FFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]Cc1ccc2c(c1)CCS2(=O)=O ZINC000571776331 519270998 /nfs/dbraw/zinc/27/09/98/519270998.db2.gz YHFOHBBKMITLRH-MRXNPFEDSA-N 1 0 358.419 2.702 20 5 FFBDRO CC[N@H+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])c(C(=O)OC)c2Cl)C1 ZINC000590578798 519272979 /nfs/dbraw/zinc/27/29/79/519272979.db2.gz RPUGSCIIDVFILR-LLVKDONJSA-N 1 0 355.822 2.813 20 5 FFBDRO O=[N+]([O-])c1ccc(OCC[NH2+]C[C@@H](O)COc2ccccc2Cl)cc1 ZINC000566116313 519310826 /nfs/dbraw/zinc/31/08/26/519310826.db2.gz JWUSITITZVXYRB-CQSZACIVSA-N 1 0 366.801 2.657 20 5 FFBDRO CC1=CC[N@H+](CCN[C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000568990078 519320369 /nfs/dbraw/zinc/32/03/69/519320369.db2.gz CSIQIFVBLAHYHR-GOSISDBHSA-N 1 0 355.442 2.659 20 5 FFBDRO CSc1cccc(F)c1C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000574805730 519340608 /nfs/dbraw/zinc/34/06/08/519340608.db2.gz IVYQIDONLWBYHG-CYBMUJFWSA-N 1 0 366.414 2.985 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(CCC[NH3+])CC2CCCC2)cc1C ZINC000566224269 519379315 /nfs/dbraw/zinc/37/93/15/519379315.db2.gz IKGYDKBQPBGNDE-UHFFFAOYSA-N 1 0 369.487 2.741 20 5 FFBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000566252216 519394262 /nfs/dbraw/zinc/39/42/62/519394262.db2.gz QDHKISAFPRNELO-INIZCTEOSA-N 1 0 369.874 2.942 20 5 FFBDRO CCOCCC[N@@H+]1CC[C@H](Nc2c([N+](=O)[O-])nc(C)n2CC)[C@@H](C)C1 ZINC000578159844 519450575 /nfs/dbraw/zinc/45/05/75/519450575.db2.gz ZHYLNGBDGGEDOG-ZFWWWQNUSA-N 1 0 353.467 2.669 20 5 FFBDRO Cn1ncc2c1CCC[C@H]2[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000591019691 519479277 /nfs/dbraw/zinc/47/92/77/519479277.db2.gz VLYYUYFSSMNPQE-MRXNPFEDSA-N 1 0 357.414 2.666 20 5 FFBDRO O=[N+]([O-])c1cnc(N2CCC[N@H+](C[C@@H]3CCCO3)CC2)c(C(F)(F)F)c1 ZINC000591138783 519526864 /nfs/dbraw/zinc/52/68/64/519526864.db2.gz RPWZYPJMPUPHBZ-ZDUSSCGKSA-N 1 0 374.363 2.700 20 5 FFBDRO CC[N@H+](CCNC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)C(C)C ZINC000584075339 519577601 /nfs/dbraw/zinc/57/76/01/519577601.db2.gz CJFKFGKBQHVZKW-UHFFFAOYSA-N 1 0 361.446 2.648 20 5 FFBDRO COc1ccc(CC(=O)N[C@@H](CCC[NH3+])c2ccccc2)cc1[N+](=O)[O-] ZINC000591585322 519960589 /nfs/dbraw/zinc/96/05/89/519960589.db2.gz RTZAYVOBCTYFAI-INIZCTEOSA-N 1 0 357.410 2.742 20 5 FFBDRO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000602908508 519963865 /nfs/dbraw/zinc/96/38/65/519963865.db2.gz VICPSCNLAZGKBE-OAHLLOKOSA-N 1 0 373.457 2.546 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C)c1c(C)noc1C ZINC000612461867 519973733 /nfs/dbraw/zinc/97/37/33/519973733.db2.gz NLZMHWSNQDLJCW-JTQLQIEISA-N 1 0 362.386 2.888 20 5 FFBDRO C[C@](CO)([NH2+]C[C@H](O)Cc1cccc(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000602963650 519997145 /nfs/dbraw/zinc/99/71/45/519997145.db2.gz YAJVPHFASGFBSV-QZTJIDSGSA-N 1 0 364.829 2.649 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C[C@@H]1CCc2ccccc2C1 ZINC000591741849 520019670 /nfs/dbraw/zinc/01/96/70/520019670.db2.gz XDMQDHRJHDLVKZ-QAPCUYQASA-N 1 0 356.422 2.729 20 5 FFBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@H]2CCCN3CCCC[C@H]23)cccc1[N+](=O)[O-] ZINC000594551507 520022858 /nfs/dbraw/zinc/02/28/58/520022858.db2.gz FLTBQCAUUYHFLJ-QILLFSRXSA-N 1 0 360.458 2.837 20 5 FFBDRO CC(C)c1ccc2c(c1)[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CCC2 ZINC000591757696 520024285 /nfs/dbraw/zinc/02/42/85/520024285.db2.gz AUVZLEFYDUXXAW-IEBWSBKVSA-N 1 0 358.442 2.943 20 5 FFBDRO CN1Cc2ccccc2[C@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000591757272 520024856 /nfs/dbraw/zinc/02/48/56/520024856.db2.gz HQSBKQMPWYUVAQ-QGZVFWFLSA-N 1 0 354.410 2.700 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CC2(Cc3ccccc3)CCCC2)c1 ZINC000591759016 520027187 /nfs/dbraw/zinc/02/71/87/520027187.db2.gz QRUKDWACYFMWRU-GOSISDBHSA-N 1 0 358.442 2.545 20 5 FFBDRO COc1cccc([N+](=O)[O-])c1N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000594575566 520035645 /nfs/dbraw/zinc/03/56/45/520035645.db2.gz KMEQARLHSVAUNL-FQEVSTJZSA-N 1 0 371.437 2.677 20 5 FFBDRO C[NH+](C)[C@H]1CCc2cc(NC[C@H](O)COc3ccccc3[N+](=O)[O-])ccc21 ZINC000591777680 520035756 /nfs/dbraw/zinc/03/57/56/520035756.db2.gz AIZUELRBTABORO-WMZOPIPTSA-N 1 0 371.437 2.996 20 5 FFBDRO O=[N+]([O-])c1cc2c(nc1N1CCC[N@H+](C[C@@H]3CCCO3)CC1)CCCC2 ZINC000591895809 520073551 /nfs/dbraw/zinc/07/35/51/520073551.db2.gz CLZUICORNRYWNN-INIZCTEOSA-N 1 0 360.458 2.560 20 5 FFBDRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000597534327 520086128 /nfs/dbraw/zinc/08/61/28/520086128.db2.gz WHNNJBRUMUCJOG-VXGBXAGGSA-N 1 0 356.220 2.570 20 5 FFBDRO Cc1c(CNC(=O)Nc2cnn(-c3cc[nH+]cc3)c2)cccc1[N+](=O)[O-] ZINC000616790220 520143046 /nfs/dbraw/zinc/14/30/46/520143046.db2.gz ZDXNIQHLHONJKF-UHFFFAOYSA-N 1 0 352.354 2.806 20 5 FFBDRO Cc1ccc(C)c(S(=O)(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000594793941 520161259 /nfs/dbraw/zinc/16/12/59/520161259.db2.gz WUTUVIZDBSJQCT-CQSZACIVSA-N 1 0 369.487 2.610 20 5 FFBDRO Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H](n3ccnc3)C2)cccc1[N+](=O)[O-] ZINC000609157387 520212870 /nfs/dbraw/zinc/21/28/70/520212870.db2.gz HSWIFQRRJYJSOE-OAHLLOKOSA-N 1 0 357.414 2.765 20 5 FFBDRO COc1cc(CN[C@H](C)C[NH+]2CCC(C)CC2)c([N+](=O)[O-])cc1OC ZINC000594979856 520240545 /nfs/dbraw/zinc/24/05/45/520240545.db2.gz MNCJJTGEZUIXLI-CQSZACIVSA-N 1 0 351.447 2.822 20 5 FFBDRO CCO[C@@H]1C[C@@H]([NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@@H]1SC ZINC000592174549 520245337 /nfs/dbraw/zinc/24/53/37/520245337.db2.gz YYGSFIKAWMIGDF-INMHGKMJSA-N 1 0 367.471 2.730 20 5 FFBDRO C[C@H]1COCC[N@@H+]1C1CCN(c2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000603402034 520250041 /nfs/dbraw/zinc/25/00/41/520250041.db2.gz LSHBFUXXDUYSOV-AWEZNQCLSA-N 1 0 356.426 2.833 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H]1CCOC2(CCOCC2)C1 ZINC000595021897 520260212 /nfs/dbraw/zinc/26/02/12/520260212.db2.gz GMXNXOMBGQLZPK-ZIAGYGMSSA-N 1 0 350.415 2.982 20 5 FFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCC[C@H]([S@](C)=O)C1 ZINC000595059612 520274438 /nfs/dbraw/zinc/27/44/38/520274438.db2.gz FRMKOPHRZDIPSQ-WPBQLTRPSA-N 1 0 367.471 2.591 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000597859592 520285947 /nfs/dbraw/zinc/28/59/47/520285947.db2.gz VSGYGINELXBMJD-MRXNPFEDSA-N 1 0 374.485 2.800 20 5 FFBDRO CC(C)[C@H]1CN(C(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000592248276 520288602 /nfs/dbraw/zinc/28/86/02/520288602.db2.gz XZOHYKQLNRWBNM-DOTOQJQBSA-N 1 0 374.485 2.901 20 5 FFBDRO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000609348046 520289788 /nfs/dbraw/zinc/28/97/88/520289788.db2.gz KCCPEUCBYWTJDJ-INIZCTEOSA-N 1 0 358.442 2.870 20 5 FFBDRO COC1CC[NH+](C(C)(C)CNC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000609354688 520293275 /nfs/dbraw/zinc/29/32/75/520293275.db2.gz FHCDYSOMXDMSPQ-UHFFFAOYSA-N 1 0 364.446 2.914 20 5 FFBDRO O=C1N(CC[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C[C@@H]2CCCCN12 ZINC000595098071 520293529 /nfs/dbraw/zinc/29/35/29/520293529.db2.gz BQAFTXVDHUWFDR-ZWKOTPCHSA-N 1 0 372.469 2.796 20 5 FFBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C1CCN([C@H]2CCOC2)CC1)C1CC1 ZINC000595102181 520294726 /nfs/dbraw/zinc/29/47/26/520294726.db2.gz LANXIYSWSPOQIF-OALUTQOASA-N 1 0 359.470 2.759 20 5 FFBDRO CCS(=O)(=O)C1(C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000595105176 520296471 /nfs/dbraw/zinc/29/64/71/520296471.db2.gz QSOXNANBIRDSPB-HNNXBMFYSA-N 1 0 352.456 2.874 20 5 FFBDRO Cc1cc(S(=O)(=O)N2CCC[C@@H](C)[C@H]2CCC[NH3+])c(C)cc1[N+](=O)[O-] ZINC000595118256 520303548 /nfs/dbraw/zinc/30/35/48/520303548.db2.gz NILWZZIMSBKZJC-IUODEOHRSA-N 1 0 369.487 2.740 20 5 FFBDRO CCCc1n[nH]c(C(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000609476676 520322871 /nfs/dbraw/zinc/32/28/71/520322871.db2.gz YIALTOAPMGUINC-KBPBESRZSA-N 1 0 365.478 2.758 20 5 FFBDRO C[C@](CO)([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000609483940 520327273 /nfs/dbraw/zinc/32/72/73/520327273.db2.gz TWOZNEQIGVBGQM-QGZVFWFLSA-N 1 0 363.801 2.684 20 5 FFBDRO CC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Br)CC[C@@H]1[NH3+] ZINC000592331817 520338935 /nfs/dbraw/zinc/33/89/35/520338935.db2.gz ADDKDFQZGUWMGN-ZANVPECISA-N 1 0 356.220 2.557 20 5 FFBDRO CCOc1ccc(C(=O)N2CC[C@H](c3ccccc3)[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000595220151 520355109 /nfs/dbraw/zinc/35/51/09/520355109.db2.gz GFLQECMYMONTHJ-IAGOWNOFSA-N 1 0 369.421 2.951 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000595228450 520362269 /nfs/dbraw/zinc/36/22/69/520362269.db2.gz AIPWCDWOGNCXSG-CQSZACIVSA-N 1 0 362.430 2.847 20 5 FFBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000595264438 520378794 /nfs/dbraw/zinc/37/87/94/520378794.db2.gz XWECZPCTKFGLNQ-KRWDZBQOSA-N 1 0 360.458 2.559 20 5 FFBDRO CN(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)C1C[NH2+]C1 ZINC000592434463 520390154 /nfs/dbraw/zinc/39/01/54/520390154.db2.gz HWOAAQKLRYVHOP-UHFFFAOYSA-N 1 0 363.421 2.851 20 5 FFBDRO C[C@@H]1C[N@@H+](C[C@H]2CCCN2Cc2ccc(F)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000595294922 520392484 /nfs/dbraw/zinc/39/24/84/520392484.db2.gz UPZMZDSDCGQORJ-JKIFEVAISA-N 1 0 351.422 2.808 20 5 FFBDRO O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N(C1CC1)C1CC[NH2+]CC1 ZINC000592458244 520398269 /nfs/dbraw/zinc/39/82/69/520398269.db2.gz KEEITGQBIFJYRI-UHFFFAOYSA-N 1 0 372.469 2.554 20 5 FFBDRO Cc1cc(S(=O)(=O)NCC2([NH+](C)C)CCCCCC2)ccc1[N+](=O)[O-] ZINC000609673484 520403517 /nfs/dbraw/zinc/40/35/17/520403517.db2.gz DBBQQMQDCZDBQK-UHFFFAOYSA-N 1 0 369.487 2.836 20 5 FFBDRO O=C(CN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000592479184 520407128 /nfs/dbraw/zinc/40/71/28/520407128.db2.gz UEMBSICEWGVHTE-WFASDCNBSA-N 1 0 366.849 2.651 20 5 FFBDRO [NH3+][C@H](C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)c1cccc(Cl)c1 ZINC000592478500 520407478 /nfs/dbraw/zinc/40/74/78/520407478.db2.gz FNJWLAGBGHHFBF-KRWDZBQOSA-N 1 0 374.828 2.597 20 5 FFBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CC[C@H](c2ccco2)C1 ZINC000609767260 520425770 /nfs/dbraw/zinc/42/57/70/520425770.db2.gz OQAHDGFANMPEEX-ZDUSSCGKSA-N 1 0 357.366 2.975 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1[C@H]2Cc3cc(Cl)ccc3[C@@H]12 ZINC000600747652 520445194 /nfs/dbraw/zinc/44/51/94/520445194.db2.gz QMOSEGDBGFNIOK-ALQDCCJHSA-N 1 0 374.824 2.916 20 5 FFBDRO Cc1ccc(C(C)(C)C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])nc1 ZINC000600757379 520451847 /nfs/dbraw/zinc/45/18/47/520451847.db2.gz VQXPHNXWMDLOID-OAHLLOKOSA-N 1 0 359.426 2.605 20 5 FFBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000592544235 520451947 /nfs/dbraw/zinc/45/19/47/520451947.db2.gz ASRGXDDAWDFQNQ-JQWIXIFHSA-N 1 0 355.847 2.551 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H]3CCCS(=O)(=O)C3)s2)cc1 ZINC000609851468 520457195 /nfs/dbraw/zinc/45/71/95/520457195.db2.gz MXJYGHNADLYGAF-ZDUSSCGKSA-N 1 0 366.464 2.990 20 5 FFBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000592568958 520458545 /nfs/dbraw/zinc/45/85/45/520458545.db2.gz RZJZTFFWIGSWCN-ZDUSSCGKSA-N 1 0 367.833 2.808 20 5 FFBDRO C[C@@H](c1ccccc1)[C@H](CO)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000613388743 520479115 /nfs/dbraw/zinc/47/91/15/520479115.db2.gz FBBFKKBYURCNED-YOEHRIQHSA-N 1 0 357.410 2.678 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H](CO)[C@@H](C)c1ccccc1 ZINC000613389279 520479600 /nfs/dbraw/zinc/47/96/00/520479600.db2.gz HTXWLXUNUSOCSJ-HOCLYGCPSA-N 1 0 357.410 2.596 20 5 FFBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N[C@@H]3CCC[N@H+](C)C3)cc2[N+](=O)[O-])C1 ZINC000604198966 520483288 /nfs/dbraw/zinc/48/32/88/520483288.db2.gz NCPBBWDWEGDPGM-BFYDXBDKSA-N 1 0 374.485 2.901 20 5 FFBDRO Cc1c(NC(=O)[C@@H](C)N2CCC[C@@]3(CC[N@H+](C)C3)C2)cccc1[N+](=O)[O-] ZINC000595505522 520514111 /nfs/dbraw/zinc/51/41/11/520514111.db2.gz VOGAPSXVLLCXER-BEFAXECRSA-N 1 0 360.458 2.648 20 5 FFBDRO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)C1CC[NH+](C)CC1 ZINC000610065080 520521215 /nfs/dbraw/zinc/52/12/15/520521215.db2.gz IPDPMWVGTLPWGK-SNVBAGLBSA-N 1 0 370.247 2.817 20 5 FFBDRO C[C@H]1CC[N@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000610065066 520521963 /nfs/dbraw/zinc/52/19/63/520521963.db2.gz GYRPIAWTIGGAQI-JTQLQIEISA-N 1 0 356.220 2.524 20 5 FFBDRO CC[N@@H+]1CCCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C1 ZINC000595536196 520534691 /nfs/dbraw/zinc/53/46/91/520534691.db2.gz OPILITPXVQUEKE-LBPRGKRZSA-N 1 0 354.838 2.603 20 5 FFBDRO COc1cc(CN(Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)on1 ZINC000595563321 520557389 /nfs/dbraw/zinc/55/73/89/520557389.db2.gz QOQCCZBKASDYKU-SHTZXODSSA-N 1 0 361.398 2.897 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000595584471 520570465 /nfs/dbraw/zinc/57/04/65/520570465.db2.gz GLQLXVSSJLMBIU-AWEZNQCLSA-N 1 0 368.865 2.963 20 5 FFBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]CCN1CCCc3ccccc31)OCCO2 ZINC000604532726 520591590 /nfs/dbraw/zinc/59/15/90/520591590.db2.gz YALXKEJGTZKONY-UHFFFAOYSA-N 1 0 369.421 2.908 20 5 FFBDRO COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000595629398 520604816 /nfs/dbraw/zinc/60/48/16/520604816.db2.gz OQAXSHPXCOMRQK-OLZOCXBDSA-N 1 0 360.332 2.811 20 5 FFBDRO C[C@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])c1nccn1C ZINC000598459222 520627787 /nfs/dbraw/zinc/62/77/87/520627787.db2.gz FUCYOVHVLQLGDM-UWVGGRQHSA-N 1 0 352.778 2.626 20 5 FFBDRO CNc1ccc(C(=O)NC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000592879816 520629994 /nfs/dbraw/zinc/62/99/94/520629994.db2.gz DTTDTZKPRAAFNR-SJORKVTESA-N 1 0 368.437 2.712 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC2(CCC2)OC[C@@H]1C ZINC000595684063 520646576 /nfs/dbraw/zinc/64/65/76/520646576.db2.gz ZXGKIWXTBBCNLH-ZDUSSCGKSA-N 1 0 363.414 2.575 20 5 FFBDRO COc1ccc(OCC[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000592994202 520674753 /nfs/dbraw/zinc/67/47/53/520674753.db2.gz KEUYGXZNVBEITR-UHFFFAOYSA-N 1 0 359.382 2.601 20 5 FFBDRO CCC1([NH+]2CCCC2)CCN(c2nccc(C(=O)OC)c2[N+](=O)[O-])CC1 ZINC000601218086 520692853 /nfs/dbraw/zinc/69/28/53/520692853.db2.gz ROBJPCRGBLIYMK-UHFFFAOYSA-N 1 0 362.430 2.621 20 5 FFBDRO CC(C)O[C@H]1CCC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000593054493 520712020 /nfs/dbraw/zinc/71/20/20/520712020.db2.gz FADJHBWHWBDOON-HNNXBMFYSA-N 1 0 363.414 2.782 20 5 FFBDRO CC[C@@H]1COC(C)(C)C[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000593056652 520714133 /nfs/dbraw/zinc/71/41/33/520714133.db2.gz MNXHFGHDZQMWFB-CYBMUJFWSA-N 1 0 365.430 2.821 20 5 FFBDRO COC(=O)c1ccnc(N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000598614582 520743433 /nfs/dbraw/zinc/74/34/33/520743433.db2.gz LTOAOYBEIWCOPI-BBRMVZONSA-N 1 0 370.409 2.709 20 5 FFBDRO COC(=O)c1cc(C[NH2+]CCc2ccccc2[N+](=O)[O-])n2c1CCCC2 ZINC000598634549 520754633 /nfs/dbraw/zinc/75/46/33/520754633.db2.gz NLCHTGNIZCJXRN-UHFFFAOYSA-N 1 0 357.410 2.852 20 5 FFBDRO COc1cc(CN2C[C@@H]3CCC[C@]3([NH3+])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000598684404 520785852 /nfs/dbraw/zinc/78/58/52/520785852.db2.gz WTSSYMUKMFSGGP-ZBEGNZNMSA-N 1 0 357.357 2.518 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)CC1=CCSC1 ZINC000595889059 520795693 /nfs/dbraw/zinc/79/56/93/520795693.db2.gz RJLJYQHOMWEKEL-UHFFFAOYSA-N 1 0 351.428 2.537 20 5 FFBDRO CCC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])CC(=O)Nc1ccccc1C ZINC000610703114 520804768 /nfs/dbraw/zinc/80/47/68/520804768.db2.gz WJIBAZAARCYGOI-UHFFFAOYSA-N 1 0 359.430 2.759 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000595901526 520807663 /nfs/dbraw/zinc/80/76/63/520807663.db2.gz XUSNFMDJZDYJQF-MRXNPFEDSA-N 1 0 360.458 2.553 20 5 FFBDRO CCC1([NH+]2CCCC2)CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000601497425 520815089 /nfs/dbraw/zinc/81/50/89/520815089.db2.gz VVHCMRAETDFFDD-UHFFFAOYSA-N 1 0 367.471 2.624 20 5 FFBDRO C[N@H+](Cc1ccccc1)[C@H](CNc1cc(N)c([N+](=O)[O-])c(CO)c1)C1CC1 ZINC000614153757 520827797 /nfs/dbraw/zinc/82/77/97/520827797.db2.gz VDTNJQOYHXFBQS-LJQANCHMSA-N 1 0 370.453 2.992 20 5 FFBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N(C)CC(C)(C)[NH3+])cc2[N+](=O)[O-])C1 ZINC000595944053 520833356 /nfs/dbraw/zinc/83/33/56/520833356.db2.gz JRAIXKGXJJMNHR-ZIAGYGMSSA-N 1 0 362.474 2.886 20 5 FFBDRO Cc1nn(Cc2ccc(C(=O)NCC[C@@H]([NH3+])C(C)C)cc2)c(C)c1[N+](=O)[O-] ZINC000595951815 520836133 /nfs/dbraw/zinc/83/61/33/520836133.db2.gz SPSDVEXFIAQPJI-QGZVFWFLSA-N 1 0 373.457 2.560 20 5 FFBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000593240460 520850373 /nfs/dbraw/zinc/85/03/73/520850373.db2.gz HRGZFYZRBAVSOE-ZDUSSCGKSA-N 1 0 364.833 2.662 20 5 FFBDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)C3(c4ccc([N+](=O)[O-])cc4)CCC3)C2)C1 ZINC000601602029 520862377 /nfs/dbraw/zinc/86/23/77/520862377.db2.gz FVZZVMICUVYFJE-IBGZPJMESA-N 1 0 357.454 2.961 20 5 FFBDRO CC(C)[C@H](O)[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000596065121 520890334 /nfs/dbraw/zinc/89/03/34/520890334.db2.gz DSVWOIZWWXHVSH-AHRSYUTCSA-N 1 0 374.437 2.682 20 5 FFBDRO COc1cc(NC[C@@H](C(C)C)N2CC[NH+](C)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596069922 520893307 /nfs/dbraw/zinc/89/33/07/520893307.db2.gz KDNBVVGNJSZLPI-INIZCTEOSA-N 1 0 370.881 2.941 20 5 FFBDRO O=[N+]([O-])c1cccc(Br)c1NC[C@H](O)C[NH+]1CCCCC1 ZINC000596076718 520897110 /nfs/dbraw/zinc/89/71/10/520897110.db2.gz CFLZGNJLYACYMM-NSHDSACASA-N 1 0 358.236 2.616 20 5 FFBDRO COC(=O)c1c(Cl)c(NC[C@H]2CC[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000596079596 520899167 /nfs/dbraw/zinc/89/91/67/520899167.db2.gz UBCUEZRNKCCSID-SNVBAGLBSA-N 1 0 353.806 2.931 20 5 FFBDRO COc1cc(CN2C[C@@H]3CCC[C@]3(C[NH3+])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000593315965 520902920 /nfs/dbraw/zinc/90/29/20/520902920.db2.gz NFIJEMKTVRDONM-SJCJKPOMSA-N 1 0 371.384 2.766 20 5 FFBDRO C[NH+]1CCC(n2ncc3cc(-c4cc([N+](=O)[O-])ccc4CO)cnc32)CC1 ZINC000598929945 520924598 /nfs/dbraw/zinc/92/45/98/520924598.db2.gz PSZYPUDKKDIHGU-UHFFFAOYSA-N 1 0 367.409 2.766 20 5 FFBDRO COc1ccc(CC(=O)N2CCC(C)([NH+]3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000601737013 520926006 /nfs/dbraw/zinc/92/60/06/520926006.db2.gz BPINUMQFOSXTJK-UHFFFAOYSA-N 1 0 361.442 2.623 20 5 FFBDRO CC1([NH+]2CCCC2)CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000601739777 520927206 /nfs/dbraw/zinc/92/72/06/520927206.db2.gz OXHRVBAWBUKXRF-UHFFFAOYSA-N 1 0 360.458 2.874 20 5 FFBDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596127021 520929697 /nfs/dbraw/zinc/92/96/97/520929697.db2.gz SOULVUBANZLBNL-GJZGRUSLSA-N 1 0 360.458 2.785 20 5 FFBDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596140015 520934255 /nfs/dbraw/zinc/93/42/55/520934255.db2.gz AMLQPHFKMMACSR-HNNXBMFYSA-N 1 0 368.437 2.795 20 5 FFBDRO O=C(NCCC[NH+]1CCCCC1)c1c(Br)cccc1[N+](=O)[O-] ZINC000598975957 520953659 /nfs/dbraw/zinc/95/36/59/520953659.db2.gz PJDWEJANCKYNOB-UHFFFAOYSA-N 1 0 370.247 2.963 20 5 FFBDRO C[NH+](C)[C@@H](CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000593392195 520960947 /nfs/dbraw/zinc/96/09/47/520960947.db2.gz PVZSXLRWVFRKRJ-QGZVFWFLSA-N 1 0 359.401 2.566 20 5 FFBDRO Cc1c(Br)c(N2CCC3(C2)CC[NH+](C)CC3)ncc1[N+](=O)[O-] ZINC000596237711 520987923 /nfs/dbraw/zinc/98/79/23/520987923.db2.gz HENHQQZFVJGWGU-UHFFFAOYSA-N 1 0 369.263 2.983 20 5 FFBDRO C[C@@H]1CN(c2ccnc3cc([N+](=O)[O-])ccc32)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000593463958 521010130 /nfs/dbraw/zinc/01/01/30/521010130.db2.gz ALAQFNRJUXZWMV-BEFAXECRSA-N 1 0 369.469 2.605 20 5 FFBDRO O=[N+]([O-])c1c2ccncc2ccc1N1CCC[C@@]2(CCS(=O)(=O)C2)C1 ZINC000599084566 521023167 /nfs/dbraw/zinc/02/31/67/521023167.db2.gz UKJLIUDTIRBTAN-QGZVFWFLSA-N 1 0 361.423 2.548 20 5 FFBDRO O=[N+]([O-])c1ccc2c(ccnc2NCC2CC[NH+](C3CCOCC3)CC2)c1 ZINC000596317193 521024336 /nfs/dbraw/zinc/02/43/36/521024336.db2.gz WNBPHQLCPFZRLE-UHFFFAOYSA-N 1 0 370.453 2.868 20 5 FFBDRO O=[N+]([O-])c1cnc(N2CCO[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]32)s1 ZINC000593496323 521031561 /nfs/dbraw/zinc/03/15/61/521031561.db2.gz NZMWOXOSKOPVTL-GJZGRUSLSA-N 1 0 360.439 2.531 20 5 FFBDRO O=[N+]([O-])c1c2ccncc2ccc1N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000599104081 521033369 /nfs/dbraw/zinc/03/33/69/521033369.db2.gz ZNSFPPDFOZWOAA-INIZCTEOSA-N 1 0 356.426 2.834 20 5 FFBDRO COc1ccc(CNC(=O)[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000599125546 521042635 /nfs/dbraw/zinc/04/26/35/521042635.db2.gz BHRRNBRFNJKGMH-DLBZAZTESA-N 1 0 369.421 2.565 20 5 FFBDRO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000593545677 521066225 /nfs/dbraw/zinc/06/62/25/521066225.db2.gz XTIAQGGUOUQGOT-WMLDXEAASA-N 1 0 361.417 2.752 20 5 FFBDRO CC(C)(CO)[NH+]1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000611272337 521071719 /nfs/dbraw/zinc/07/17/19/521071719.db2.gz YNDQQJKPKMVAAR-UHFFFAOYSA-N 1 0 359.426 2.743 20 5 FFBDRO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(c2ccc([N+](=O)[O-])s2)CC1 ZINC000611370280 521124016 /nfs/dbraw/zinc/12/40/16/521124016.db2.gz FEPRFEWICLFXOV-UHFFFAOYSA-N 1 0 368.503 2.577 20 5 FFBDRO C[C@@H](NC(=O)N1CCN(c2cc[nH+]cc2)CC1)c1ccccc1[N+](=O)[O-] ZINC000611375821 521125675 /nfs/dbraw/zinc/12/56/75/521125675.db2.gz RHNMZPFDKAQCSV-CQSZACIVSA-N 1 0 355.398 2.583 20 5 FFBDRO C[S@](=O)c1ccc(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000618571897 521129211 /nfs/dbraw/zinc/12/92/11/521129211.db2.gz NHHSROLLOHXJJM-NWLBTCKQSA-N 1 0 362.455 2.802 20 5 FFBDRO O=[N+]([O-])c1ccc2[nH]c(N3CC[C@H](OCC[NH+]4CCCCC4)C3)nc2c1 ZINC000618588141 521136961 /nfs/dbraw/zinc/13/69/61/521136961.db2.gz QTSURTJAMRCIQS-HNNXBMFYSA-N 1 0 359.430 2.552 20 5 FFBDRO CC[C@@H]([NH2+]CC(=O)NC[C@H]1Cc2ccccc2O1)c1cccc([N+](=O)[O-])c1 ZINC000611403044 521137563 /nfs/dbraw/zinc/13/75/63/521137563.db2.gz HLBBKLWOYAAZFH-QZTJIDSGSA-N 1 0 369.421 2.755 20 5 FFBDRO COc1ccc(NC(=O)CC[NH2+][C@H](C)c2c(C)noc2C)c([N+](=O)[O-])c1 ZINC000611409098 521142288 /nfs/dbraw/zinc/14/22/88/521142288.db2.gz NADBZWRXXVUDSS-SNVBAGLBSA-N 1 0 362.386 2.888 20 5 FFBDRO C[N@H+](Cc1ccccc1)C1CN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000593699427 521163706 /nfs/dbraw/zinc/16/37/06/521163706.db2.gz GYVOCGMBKQDQTH-UHFFFAOYSA-N 1 0 357.385 2.619 20 5 FFBDRO COc1cc(C[NH2+]C2(CO)CCCCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000611463094 521169329 /nfs/dbraw/zinc/16/93/29/521169329.db2.gz UUHBKDRVNDEKPD-UHFFFAOYSA-N 1 0 360.357 2.990 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@@H]([NH+]3CCCC3)C2)cc1SC ZINC000602168172 521183279 /nfs/dbraw/zinc/18/32/79/521183279.db2.gz VKEQKCAFLPWSEN-TXEJJXNPSA-N 1 0 365.455 2.682 20 5 FFBDRO C[C@H](NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000611513266 521196188 /nfs/dbraw/zinc/19/61/88/521196188.db2.gz WCCFVTQAYVSGFO-LBPRGKRZSA-N 1 0 368.865 2.820 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000593757215 521197440 /nfs/dbraw/zinc/19/74/40/521197440.db2.gz AJOZSAIDJCUSDX-GRDNDAEWSA-N 1 0 362.430 2.653 20 5 FFBDRO Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H](OC(F)F)C2)cccc1[N+](=O)[O-] ZINC000611580112 521234141 /nfs/dbraw/zinc/23/41/41/521234141.db2.gz QXSOCSATOBFDDT-GFCCVEGCSA-N 1 0 357.357 2.935 20 5 FFBDRO Cc1ccc(C)c(S(=O)(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)c1[N+](=O)[O-] ZINC000599463573 521240576 /nfs/dbraw/zinc/24/05/76/521240576.db2.gz GIXSSWOSWNMZMG-HNNXBMFYSA-N 1 0 367.471 2.507 20 5 FFBDRO C[C@@H]1CN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H](C)C1(F)F ZINC000599516196 521271949 /nfs/dbraw/zinc/27/19/49/521271949.db2.gz XYDCKWHZTOTWJP-TXEJJXNPSA-N 1 0 362.398 2.592 20 5 FFBDRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4o3)C2)C1 ZINC000593911186 521286534 /nfs/dbraw/zinc/28/65/34/521286534.db2.gz FMFWGTOQTZAMKE-MRRJBJDNSA-N 1 0 373.409 2.700 20 5 FFBDRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000593918795 521290770 /nfs/dbraw/zinc/29/07/70/521290770.db2.gz JHZNDLGYXBLFBA-XPKDYRNWSA-N 1 0 367.833 2.749 20 5 FFBDRO O=[N+]([O-])c1ccc2ncnc(N3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)c2c1 ZINC000611711660 521293236 /nfs/dbraw/zinc/29/32/36/521293236.db2.gz NMSYUIMKLUPZEA-FZKQIMNGSA-N 1 0 353.426 2.991 20 5 FFBDRO COc1ccc(NC(=O)NC[C@H]2CC[N@@H+]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000596828957 521315397 /nfs/dbraw/zinc/31/53/97/521315397.db2.gz OUWKNHYMRYAOTM-MRXNPFEDSA-N 1 0 370.409 2.999 20 5 FFBDRO Cc1cc(NC(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000599609801 521330802 /nfs/dbraw/zinc/33/08/02/521330802.db2.gz ASZDMQVBGARUQJ-PWSUYJOCSA-N 1 0 360.336 2.894 20 5 FFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[N@H+](C)C2(CCCCC2)C1 ZINC000593997930 521337849 /nfs/dbraw/zinc/33/78/49/521337849.db2.gz DRMUXMCLSVSJCI-OAHLLOKOSA-N 1 0 360.458 2.872 20 5 FFBDRO C[N@@H+]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC12CCCCC2 ZINC000593997742 521338267 /nfs/dbraw/zinc/33/82/67/521338267.db2.gz NMGMGGPYYLKGQN-UHFFFAOYSA-N 1 0 360.458 2.874 20 5 FFBDRO CN(C)C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc(Cl)c(Cl)c1 ZINC000599626407 521341381 /nfs/dbraw/zinc/34/13/81/521341381.db2.gz FYMLTPUBNHKTIH-CQSZACIVSA-N 1 0 372.256 2.991 20 5 FFBDRO Cc1cnc(OC2CC[NH+](CCOc3cccc([N+](=O)[O-])c3)CC2)nc1 ZINC000594019127 521351908 /nfs/dbraw/zinc/35/19/08/521351908.db2.gz HEEMIZUXPVXEGX-UHFFFAOYSA-N 1 0 358.398 2.615 20 5 FFBDRO CCOC(=O)CC[N@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)C(C)C ZINC000594052453 521373874 /nfs/dbraw/zinc/37/38/74/521373874.db2.gz XZMSWTDCRZEAKE-UHFFFAOYSA-N 1 0 351.403 2.505 20 5 FFBDRO CC(=O)NC[C@@H]1CCCCN1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000599691503 521404776 /nfs/dbraw/zinc/40/47/76/521404776.db2.gz RYBOLWINKCHWHD-AWEZNQCLSA-N 1 0 370.247 2.848 20 5 FFBDRO C[C@@H](c1ccccc1)[C@H](CO)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602547491 521406673 /nfs/dbraw/zinc/40/66/73/521406673.db2.gz PSTFYPZKPDXVFC-KXBFYZLASA-N 1 0 370.453 2.713 20 5 FFBDRO CC[S@](=O)[C@H]1CCC[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602563703 521414105 /nfs/dbraw/zinc/41/41/05/521414105.db2.gz GVGOMXNJARWEJL-SINSKDIDSA-N 1 0 351.428 2.905 20 5 FFBDRO COc1ccc([C@H]([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C2CC2)cn1 ZINC000599702743 521415040 /nfs/dbraw/zinc/41/50/40/521415040.db2.gz YSSJSLNOQXXZKR-LJQANCHMSA-N 1 0 370.409 2.986 20 5 FFBDRO CCNC(=O)C(C)(C)C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602574037 521417822 /nfs/dbraw/zinc/41/78/22/521417822.db2.gz FESZFASFYGCBDE-UHFFFAOYSA-N 1 0 364.265 2.671 20 5 FFBDRO O=[N+]([O-])c1ccc2oc(CNCC3([NH+]4CCCCC4)CCOCC3)nc2c1 ZINC000602595563 521429090 /nfs/dbraw/zinc/42/90/90/521429090.db2.gz YVGUSIMHQYKSJC-UHFFFAOYSA-N 1 0 374.441 2.861 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@H](CO)CC3CCCC3)CC2)cn1 ZINC000602647441 521455720 /nfs/dbraw/zinc/45/57/20/521455720.db2.gz JYCASIBDACEEDT-MRXNPFEDSA-N 1 0 362.474 2.737 20 5 FFBDRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000594200366 521466896 /nfs/dbraw/zinc/46/68/96/521466896.db2.gz LADIVLITZKLPOF-FUHWJXTLSA-N 1 0 369.425 2.527 20 5 FFBDRO Cn1cc(C[N@@H+]2CCC[C@H](CCC(=O)OC(C)(C)C)C2)c([N+](=O)[O-])n1 ZINC000602693472 521480719 /nfs/dbraw/zinc/48/07/19/521480719.db2.gz MOAVKQHNLYURAL-CYBMUJFWSA-N 1 0 352.435 2.662 20 5 FFBDRO C[C@H]1C[C@@H](NC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)c2nccn21 ZINC000597090590 521496139 /nfs/dbraw/zinc/49/61/39/521496139.db2.gz OHMXJUWBEDCAMW-OIBJUYFYSA-N 1 0 350.766 2.854 20 5 FFBDRO CC(C)[C@@H]1CN(C(=O)c2c(Br)cccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000599827797 521496565 /nfs/dbraw/zinc/49/65/65/521496565.db2.gz DGPLMYCMABJNTQ-ZDUSSCGKSA-N 1 0 370.247 2.770 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H](C3CCC3)[C@@H]3CCCO3)CC2)cn1 ZINC000602743762 521510052 /nfs/dbraw/zinc/51/00/52/521510052.db2.gz UFOSJTOMAZOAMX-HKUYNNGSSA-N 1 0 360.458 2.896 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](C)c1ccc(Br)cn1 ZINC000602821196 521552363 /nfs/dbraw/zinc/55/23/63/521552363.db2.gz MNUHOVKAOXDZGD-SECBINFHSA-N 1 0 354.208 2.608 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCC(CO)(CO)C3)o2)c(Cl)c1 ZINC000597218380 521581070 /nfs/dbraw/zinc/58/10/70/521581070.db2.gz IIECIIVTTJLUSE-UHFFFAOYSA-N 1 0 366.801 2.685 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2ccc(CN3CCC([N@@H+]4CC[C@@H](O)C4)CC3)o2)c1 ZINC000597234858 521588400 /nfs/dbraw/zinc/58/84/00/521588400.db2.gz CEJIGTOWIVWPOV-GOSISDBHSA-N 1 0 371.437 2.886 20 5 FFBDRO Cn1cc(C[NH+]2CC(C3CCOCC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000619726623 521839672 /nfs/dbraw/zinc/83/96/72/521839672.db2.gz SZTQCQQOGNAAOS-UHFFFAOYSA-N 1 0 356.426 2.854 20 5 FFBDRO C[C@@H](C[NH+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1)C(C)(C)C ZINC000619844068 521902495 /nfs/dbraw/zinc/90/24/95/521902495.db2.gz JMMZJEKETZDXKM-AWEZNQCLSA-N 1 0 369.487 2.583 20 5 FFBDRO C[N@H+](CC=Cc1ccccc1[N+](=O)[O-])Cc1ccc(-c2nn[nH]n2)cc1 ZINC000825914779 608524492 /nfs/dbraw/zinc/52/44/92/608524492.db2.gz NUSVAEYUBKCCET-XQRVVYSFSA-N 1 0 350.382 2.920 20 5 FFBDRO CC[C@@H]([NH2+]CCOc1ccccc1-c1nn[nH]n1)c1cccc([N+](=O)[O-])c1 ZINC000825140179 608552295 /nfs/dbraw/zinc/55/22/95/608552295.db2.gz JHMGWFFKHMNOOO-MRXNPFEDSA-N 1 0 368.397 2.895 20 5 FFBDRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1nc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001164928952 721861342 /nfs/dbraw/zinc/86/13/42/721861342.db2.gz PEYLBJJEWOCVGD-RYUDHWBXSA-N 1 0 374.272 2.511 20 5 FFBDRO COC(=O)c1ccnc(N2CCCC[C@@H]2CC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC001165048233 721971767 /nfs/dbraw/zinc/97/17/67/721971767.db2.gz MZRSDBQBBWVMPU-CQSZACIVSA-N 1 0 362.430 2.621 20 5 FFBDRO C[C@@H]1CCC[N@@H+]1CCNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000744345145 735350480 /nfs/dbraw/zinc/35/04/80/735350480.db2.gz LALFSDRVCBIEGK-GFCCVEGCSA-N 1 0 360.439 2.932 20 5 FFBDRO C[C@H](CCS(C)(=O)=O)[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000130526571 728719102 /nfs/dbraw/zinc/71/91/02/728719102.db2.gz WFGBUONULGQRSY-IIAWOOMASA-N 1 0 354.472 2.719 20 5 FFBDRO CC(C)(C)[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)CCS(C)(=O)=O ZINC000131535004 728722492 /nfs/dbraw/zinc/72/24/92/728722492.db2.gz YBWIFDRGXNKDFB-UHFFFAOYSA-N 1 0 358.460 2.509 20 5 FFBDRO CC[C@](C)(CC(=O)OC)[NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000134146003 728728832 /nfs/dbraw/zinc/72/88/32/728728832.db2.gz DHTLDMOYQVULRE-OAHLLOKOSA-N 1 0 357.794 2.508 20 5 FFBDRO Cc1c(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000175807423 729101838 /nfs/dbraw/zinc/10/18/38/729101838.db2.gz HUQAUYRANHHOSH-NSHDSACASA-N 1 0 352.391 2.518 20 5 FFBDRO CC(C)[C@H](CCN(C)Cn1nccc1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000176151805 729110776 /nfs/dbraw/zinc/11/07/76/729110776.db2.gz SRDUMZBDGUSEEE-ZDUSSCGKSA-N 1 0 355.439 2.620 20 5 FFBDRO CC(C)[C@@H](CCN(C)Cn1cc([N+](=O)[O-])cn1)NC(=O)OC(C)(C)C ZINC000176152118 729110781 /nfs/dbraw/zinc/11/07/81/729110781.db2.gz WIFKAKNKTISWGU-CQSZACIVSA-N 1 0 355.439 2.620 20 5 FFBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000195131690 729530348 /nfs/dbraw/zinc/53/03/48/729530348.db2.gz PYAIXGNTZBXTSW-HNNXBMFYSA-N 1 0 360.439 2.805 20 5 FFBDRO CC[N@H+](CCNC(=O)c1c(Br)cccc1[N+](=O)[O-])C(C)C ZINC000859366572 730452133 /nfs/dbraw/zinc/45/21/33/730452133.db2.gz ODHGGWJSJCGVRX-UHFFFAOYSA-N 1 0 358.236 2.817 20 5 FFBDRO CO[C@@H]1C[N@H+](C)[C@@](C)(COC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000861345978 730601999 /nfs/dbraw/zinc/60/19/99/730601999.db2.gz BXUMUVXWNGKSAY-MAUKXSAKSA-N 1 0 350.415 2.525 20 5 FFBDRO CO[C@@H]1C[N@H+](C)[C@@](C)(COC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000861352740 730603268 /nfs/dbraw/zinc/60/32/68/730603268.db2.gz KBLBWDUJCDIMMU-SCLBCKFNSA-N 1 0 350.415 2.525 20 5 FFBDRO C[N@@H+]1CCCC[C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2Br)C1 ZINC000863937744 730816807 /nfs/dbraw/zinc/81/68/07/730816807.db2.gz HEICLJCNJRFXQY-NSHDSACASA-N 1 0 370.247 2.819 20 5 FFBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)C2CCN(S(C)(=O)=O)CC2)cc1[N+](=O)[O-] ZINC000925497624 738510806 /nfs/dbraw/zinc/51/08/06/738510806.db2.gz XGRVLBLVHVEGSI-ZIAGYGMSSA-N 1 0 369.487 2.614 20 5 FFBDRO CCC1([NH+]2CCCC2)CCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000867601549 731204434 /nfs/dbraw/zinc/20/44/34/731204434.db2.gz LUDCRRJGVQXTPX-UHFFFAOYSA-N 1 0 373.500 2.685 20 5 FFBDRO COCCN(CC1CC[NH+](C)CC1)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000869764305 731437284 /nfs/dbraw/zinc/43/72/84/731437284.db2.gz QFCZVPYBISNGNL-UHFFFAOYSA-N 1 0 369.849 2.679 20 5 FFBDRO Cc1nn(CCC(=O)O[C@H](C)C[C@H]2CCCC[N@@H+]2C)c(C)c1[N+](=O)[O-] ZINC000870789664 731558419 /nfs/dbraw/zinc/55/84/19/731558419.db2.gz IVBKYGQYYIZNSY-IUODEOHRSA-N 1 0 352.435 2.604 20 5 FFBDRO COCCO[C@@H]1COCC[C@@H]1[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872063801 731725606 /nfs/dbraw/zinc/72/56/06/731725606.db2.gz SQTKBSMFDWDIGV-UHOFOFEASA-N 1 0 370.471 2.788 20 5 FFBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)C1(S(C)(=O)=O)CC1 ZINC000872071791 731726914 /nfs/dbraw/zinc/72/69/14/731726914.db2.gz XOZXWCRTXIPACX-QWRGUYRKSA-N 1 0 358.485 2.933 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@@H](CO)c2ccc(Cl)cc2)cc1 ZINC000872246950 731745533 /nfs/dbraw/zinc/74/55/33/731745533.db2.gz HZLULWPYYIAWAM-WMLDXEAASA-N 1 0 350.802 2.647 20 5 FFBDRO Cc1c(C[NH2+]CCCS(=O)(=O)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000873017330 731864236 /nfs/dbraw/zinc/86/42/36/731864236.db2.gz ZCNNFFIXARCUIW-UHFFFAOYSA-N 1 0 362.451 2.998 20 5 FFBDRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000874828668 732104711 /nfs/dbraw/zinc/10/47/11/732104711.db2.gz YDWCAOHAGXAPES-KGLIPLIRSA-N 1 0 357.332 2.922 20 5 FFBDRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000874837252 732105874 /nfs/dbraw/zinc/10/58/74/732105874.db2.gz KDHRYTIVDCPRMV-OLZOCXBDSA-N 1 0 357.332 2.922 20 5 FFBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000877388957 732356353 /nfs/dbraw/zinc/35/63/53/732356353.db2.gz IIHVJASSBUKPFQ-UKRRQHHQSA-N 1 0 355.847 2.741 20 5 FFBDRO O=C(N[C@@]12CCC[C@H]1[NH2+]CC2)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000877392639 732357025 /nfs/dbraw/zinc/35/70/25/732357025.db2.gz HKFNVAUXNAADCQ-BXUZGUMPSA-N 1 0 372.194 2.511 20 5 FFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CCOc3ccc(F)c(Cl)c3)C2)c1 ZINC000877558615 732387563 /nfs/dbraw/zinc/38/75/63/732387563.db2.gz KRLWXFOWBIFMDQ-UHFFFAOYSA-N 1 0 354.769 2.956 20 5 FFBDRO CN(Cc1ccccc1[N+](=O)[O-])C[C@@H](O)c1cc(Br)no1 ZINC000877917519 732451750 /nfs/dbraw/zinc/45/17/50/732451750.db2.gz WOQWUMQAJJSVNV-LLVKDONJSA-N 1 0 356.176 2.511 20 5 FFBDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000878341251 732516856 /nfs/dbraw/zinc/51/68/56/732516856.db2.gz ZTTRZKVXQWPQBK-GHMZBOCLSA-N 1 0 365.821 2.823 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000879561707 732723550 /nfs/dbraw/zinc/72/35/50/732723550.db2.gz SLWYFZSPQIARIF-STQMWFEESA-N 1 0 365.455 2.617 20 5 FFBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000879563082 732724300 /nfs/dbraw/zinc/72/43/00/732724300.db2.gz QGCXSGGKWFGBFE-QWHCGFSZSA-N 1 0 363.439 2.578 20 5 FFBDRO O=C(CC[N@@H+]1CC[C@H]2CSC[C@@H]2C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000879566782 732725118 /nfs/dbraw/zinc/72/51/18/732725118.db2.gz YGUVBIMCLFDJEP-RYUDHWBXSA-N 1 0 353.419 2.747 20 5 FFBDRO COc1ccccc1[C@H]1CSCCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000880174853 732859687 /nfs/dbraw/zinc/85/96/87/732859687.db2.gz RSDGPCXBMGOPBW-MRXNPFEDSA-N 1 0 362.455 2.980 20 5 FFBDRO CC[C@H]([NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CCCOC1 ZINC000880469563 732912043 /nfs/dbraw/zinc/91/20/43/732912043.db2.gz VVXUMPSFHMIZEY-RISCZKNCSA-N 1 0 355.822 2.982 20 5 FFBDRO C[C@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCN1c1cc[nH+]cc1 ZINC000881638295 733077826 /nfs/dbraw/zinc/07/78/26/733077826.db2.gz NLBVFAPHOVVSJF-LBPRGKRZSA-N 1 0 360.801 2.994 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1CC[C@]2(CO[C@@H](C)C2)O1 ZINC000886333288 733775063 /nfs/dbraw/zinc/77/50/63/733775063.db2.gz GEJGBQZSCJYHOY-OWQGQXMQSA-N 1 0 350.415 2.810 20 5 FFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000888288152 734032370 /nfs/dbraw/zinc/03/23/70/734032370.db2.gz CQBGLVFOVSDULT-RYUDHWBXSA-N 1 0 368.821 2.541 20 5 FFBDRO COc1c(O)ccc(CNC[C@H]2CCC[N@H+](CC(C)C)C2)c1[N+](=O)[O-] ZINC000893200030 734667202 /nfs/dbraw/zinc/66/72/02/734667202.db2.gz LISATHOMXTZGEM-CQSZACIVSA-N 1 0 351.447 2.767 20 5 FFBDRO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000894081742 734798281 /nfs/dbraw/zinc/79/82/81/734798281.db2.gz BGTYOZVNGPYKQT-ONGXEEELSA-N 1 0 366.361 2.526 20 5 FFBDRO Cn1nccc1[C@@H]1C[C@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000894745063 734909064 /nfs/dbraw/zinc/90/90/64/734909064.db2.gz JCZIZVJYKGIPOG-CJNGLKHVSA-N 1 0 350.806 2.992 20 5 FFBDRO CC(C)[C@H](C[NH+](C)C)NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000735053585 734926714 /nfs/dbraw/zinc/92/67/14/734926714.db2.gz ITWREGRBUTZBTB-ZDUSSCGKSA-N 1 0 357.838 2.720 20 5 FFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000897220406 735207930 /nfs/dbraw/zinc/20/79/30/735207930.db2.gz ASLDRYCVEADEEZ-OLZOCXBDSA-N 1 0 359.348 2.649 20 5 FFBDRO O=[N+]([O-])c1ccc2nc(N3CCC[N@H+](C[C@H]4CCCO4)CC3)sc2c1 ZINC000748272235 735632098 /nfs/dbraw/zinc/63/20/98/735632098.db2.gz MBHVYEDBRXIMAZ-CQSZACIVSA-N 1 0 362.455 2.896 20 5 FFBDRO COc1cc([C@@H](C)NCCC[N@@H+]2CCCO[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000903160468 736044869 /nfs/dbraw/zinc/04/48/69/736044869.db2.gz MMOYSLOTQZGUPN-HUUCEWRRSA-N 1 0 351.447 2.755 20 5 FFBDRO COc1cc([C@@H](C)[NH2+]Cc2cccc(S(C)(=O)=O)c2)cc([N+](=O)[O-])c1 ZINC000903177715 736049692 /nfs/dbraw/zinc/04/96/92/736049692.db2.gz AFNXOXFQRZDUOK-GFCCVEGCSA-N 1 0 364.423 2.858 20 5 FFBDRO Cc1ccc([C@H](C)[NH2+]CC2(O)CCC3(CC2)OCCO3)cc1[N+](=O)[O-] ZINC000903379230 736085482 /nfs/dbraw/zinc/08/54/82/736085482.db2.gz VVDNXFTZQIXDAJ-AWEZNQCLSA-N 1 0 350.415 2.602 20 5 FFBDRO C[C@@H](CC[NH+](C)C)NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000755024067 736227432 /nfs/dbraw/zinc/22/74/32/736227432.db2.gz FOLFZWNOUFFBRY-VIFPVBQESA-N 1 0 359.224 2.819 20 5 FFBDRO C[NH+]1CCC(OCC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000904186648 736231438 /nfs/dbraw/zinc/23/14/38/736231438.db2.gz ATZWEBWWQVIUNK-UHFFFAOYSA-N 1 0 361.320 2.663 20 5 FFBDRO O=[N+]([O-])c1cc(Br)ccc1C[NH2+]C[C@H](O)CC(F)(F)F ZINC000905428008 736339496 /nfs/dbraw/zinc/33/94/96/736339496.db2.gz QGLJTCKMTUZRFJ-SECBINFHSA-N 1 0 357.126 2.760 20 5 FFBDRO CC(C)OCC[C@@H](O)C[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000905429237 736339626 /nfs/dbraw/zinc/33/96/26/736339626.db2.gz YEOZDOHGDLWGPO-CYBMUJFWSA-N 1 0 361.236 2.623 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CC1C[C@H]2CC[C@@H](C1)S2 ZINC000905509901 736348828 /nfs/dbraw/zinc/34/88/28/736348828.db2.gz PNVQPJCWCHHKJF-WIGRTHMWSA-N 1 0 352.456 2.598 20 5 FFBDRO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000906617310 736524977 /nfs/dbraw/zinc/52/49/77/736524977.db2.gz PROWZXZDMQNYHU-CQSZACIVSA-N 1 0 351.834 2.781 20 5 FFBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC000906790859 736543990 /nfs/dbraw/zinc/54/39/90/736543990.db2.gz JTAALZSLRNHMLW-BLLLJJGKSA-N 1 0 353.850 2.979 20 5 FFBDRO O=C(C[NH2+][C@@H]1Cc2cccc(O)c2C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000759710213 736588149 /nfs/dbraw/zinc/58/81/49/736588149.db2.gz CGOHHQLNFBQIOI-GFCCVEGCSA-N 1 0 361.785 2.649 20 5 FFBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC000907170228 736592783 /nfs/dbraw/zinc/59/27/83/736592783.db2.gz BZUUPTNVTZGFLF-JTQLQIEISA-N 1 0 354.838 2.633 20 5 FFBDRO CC(C)C[N@@H+]1CCO[C@H](COC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000763977330 736983753 /nfs/dbraw/zinc/98/37/53/736983753.db2.gz IANQIAVNAKHSMS-YOEHRIQHSA-N 1 0 350.415 2.598 20 5 FFBDRO O=C(N[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F)C12CC[NH+](CC1)C2 ZINC000910452081 737076222 /nfs/dbraw/zinc/07/62/22/737076222.db2.gz KRWMKTHFNDYBNF-LBPRGKRZSA-N 1 0 361.295 2.549 20 5 FFBDRO C[C@@H]1[NH2+]CCn2c(C(=O)N(C)Cc3cc([N+](=O)[O-])ccc3Cl)ccc21 ZINC000912149334 737270370 /nfs/dbraw/zinc/27/03/70/737270370.db2.gz BJQLAGXCKFAJLZ-NSHDSACASA-N 1 0 362.817 2.986 20 5 FFBDRO C[N@@H+]1CCCC[C@H]1CCOC(=O)c1cc(Br)ncc1[N+](=O)[O-] ZINC000769838139 737572335 /nfs/dbraw/zinc/57/23/35/737572335.db2.gz GSOKFJOBBLGXME-JTQLQIEISA-N 1 0 372.219 2.784 20 5 FFBDRO C[NH+](C)[C@@]1(CNC(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)CCSC1 ZINC000770008335 737589581 /nfs/dbraw/zinc/58/95/81/737589581.db2.gz WVRZHXPMDYVUGY-CQSZACIVSA-N 1 0 358.851 2.807 20 5 FFBDRO C[C@@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000770265142 737610352 /nfs/dbraw/zinc/61/03/52/737610352.db2.gz HUOIVBNJUNELEJ-NSHDSACASA-N 1 0 370.247 2.962 20 5 FFBDRO COC(=O)C[C@]1([NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CCCOC1 ZINC000770678584 737652205 /nfs/dbraw/zinc/65/22/05/737652205.db2.gz MOUJNMLNJSCQAG-GOSISDBHSA-N 1 0 350.415 2.920 20 5 FFBDRO CC[NH+](CC)CCOC(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000773601809 737923402 /nfs/dbraw/zinc/92/34/02/737923402.db2.gz DHTYXEJGQWZVLW-UHFFFAOYSA-N 1 0 351.222 2.917 20 5 FFBDRO C[C@H](NC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12)c1ccccc1[N+](=O)[O-] ZINC000921806124 738047759 /nfs/dbraw/zinc/04/77/59/738047759.db2.gz IYJPYGBXHDGTAL-DUVNUKRYSA-N 1 0 364.471 2.535 20 5 FFBDRO COc1ccc(-c2ccc(C[NH2+][C@H](C)C(OC)OC)o2)c([N+](=O)[O-])c1 ZINC000922312052 738120337 /nfs/dbraw/zinc/12/03/37/738120337.db2.gz QOKAJRHDXLNPKR-LLVKDONJSA-N 1 0 350.371 2.960 20 5 FFBDRO COC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000775816271 738128554 /nfs/dbraw/zinc/12/85/54/738128554.db2.gz PFDBLRKNVNNASX-STQMWFEESA-N 1 0 351.403 2.560 20 5 FFBDRO COC(=O)C(C)(C)[C@@H]1CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776597756 738212679 /nfs/dbraw/zinc/21/26/79/738212679.db2.gz MECYMXMUXMJSMG-ZBFHGGJFSA-N 1 0 350.415 2.539 20 5 FFBDRO C[C@H](CNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1)[N@@H+]1CCCC[C@H]1C ZINC000778237134 738365604 /nfs/dbraw/zinc/36/56/04/738365604.db2.gz SWUMTKQWJZSJRH-GHMZBOCLSA-N 1 0 363.443 2.592 20 5 FFBDRO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000932302878 739426383 /nfs/dbraw/zinc/42/63/83/739426383.db2.gz WZIHWWLSEFSQFV-ZDUSSCGKSA-N 1 0 351.834 2.781 20 5 FFBDRO CC(C)C[C@@H]1C[N@H+](C)CCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000933247690 739588709 /nfs/dbraw/zinc/58/87/09/739588709.db2.gz IENQQYLKYYLAPN-CQSZACIVSA-N 1 0 368.865 2.849 20 5 FFBDRO Cn1cc([C@@H]2CSCCC[N@@H+]2C[C@H](O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000933976760 739713288 /nfs/dbraw/zinc/71/32/88/739713288.db2.gz UTIIHEBBAAVLTO-IRXDYDNUSA-N 1 0 362.455 2.542 20 5 FFBDRO COC(=O)[C@@H]1CCCC[C@]1(C)[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792873670 739714173 /nfs/dbraw/zinc/71/41/73/739714173.db2.gz UOABRKGPDCMAJU-BBRMVZONSA-N 1 0 351.359 2.715 20 5 FFBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cc(Cl)c(F)c([N+](=O)[O-])c3N)CC[C@H]21 ZINC000934892537 739862438 /nfs/dbraw/zinc/86/24/38/739862438.db2.gz XVMLUSMOGMKLCE-BXKDBHETSA-N 1 0 370.812 2.526 20 5 FFBDRO CC1([NH2+]Cc2cc(Cl)ccc2F)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000940107388 740146856 /nfs/dbraw/zinc/14/68/56/740146856.db2.gz KLKCFLYTLXDYKD-UKRRQHHQSA-N 1 0 369.824 2.615 20 5 FFBDRO CC1([NH2+]Cc2ccc(F)c(Cl)c2)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000940107921 740146986 /nfs/dbraw/zinc/14/69/86/740146986.db2.gz RYRRZYDZZMGXHM-IUODEOHRSA-N 1 0 369.824 2.615 20 5 FFBDRO CC(C)[N@@H+]1CCO[C@H](COC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000802136908 740676873 /nfs/dbraw/zinc/67/68/73/740676873.db2.gz KWQCGNZEWCIZFO-INIZCTEOSA-N 1 0 350.415 2.525 20 5 FFBDRO CS[C@H]1CN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000804622365 740889842 /nfs/dbraw/zinc/88/98/42/740889842.db2.gz CMIKXFHFUMPQPD-KBPBESRZSA-N 1 0 352.416 2.519 20 5 FFBDRO C[C@@H](O)C[N@@H+]1CCN(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000809982023 741369368 /nfs/dbraw/zinc/36/93/68/741369368.db2.gz FOBHJCXRQWGUNY-WDEREUQCSA-N 1 0 362.257 2.789 20 5 FFBDRO C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000816682236 742053274 /nfs/dbraw/zinc/05/32/74/742053274.db2.gz SDXMFDNNPAUETJ-GFCCVEGCSA-N 1 0 367.833 2.574 20 5 FFBDRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000818011316 742229766 /nfs/dbraw/zinc/22/97/66/742229766.db2.gz XTHNRXGWBBRFPA-GDBMZVCRSA-N 1 0 367.833 2.607 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H]2CCN(c3ncccc3Cl)C2)cc1 ZINC000819156160 742345531 /nfs/dbraw/zinc/34/55/31/742345531.db2.gz YUWIMUOAMSXUFV-XJKSGUPXSA-N 1 0 362.817 2.545 20 5 FFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@@H]2COC3(CCCCCC3)O2)c1 ZINC000819213502 742355034 /nfs/dbraw/zinc/35/50/34/742355034.db2.gz TYLIXGIHKQPQDJ-SJORKVTESA-N 1 0 350.415 2.684 20 5 FFBDRO C[C@]1(CC[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1(Cl)Cl ZINC000819347519 742379231 /nfs/dbraw/zinc/37/92/31/742379231.db2.gz CTNAMSYTBOTXQM-OCCSQVGLSA-N 1 0 363.241 2.898 20 5 FFBDRO O=C(N[C@H]1CC[C@H]([NH2+]Cc2ccc(F)cc2Cl)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001034643792 742927465 /nfs/dbraw/zinc/92/74/65/742927465.db2.gz SJVGLLDWTUODPM-IXYNUQLISA-N 1 0 369.824 2.661 20 5 FFBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C[C@H](O)CNC(=O)OC(C)(C)C ZINC000824571629 743109400 /nfs/dbraw/zinc/10/94/00/743109400.db2.gz NTFZMRGDWCZQME-GFCCVEGCSA-N 1 0 373.837 2.566 20 5 FFBDRO CC(C)[NH+]1CCC(NC(=O)COc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000829572436 745226827 /nfs/dbraw/zinc/22/68/27/745226827.db2.gz KCYULIYIPFDOBT-UHFFFAOYSA-N 1 0 373.812 2.755 20 5 FFBDRO O=C(C[NH2+][C@H]([C@H](CO)C1CC1)C1CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000831651135 745560949 /nfs/dbraw/zinc/56/09/49/745560949.db2.gz ZOVZMYUCTAIMDN-DYVFJYSZSA-N 1 0 367.833 2.573 20 5 FFBDRO CCO[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1SC(C)C)C[NH+](C)C ZINC000831730673 745576638 /nfs/dbraw/zinc/57/66/38/745576638.db2.gz GFVIVCIYLGBKQC-CQSZACIVSA-N 1 0 369.487 2.792 20 5 FFBDRO CC[C@@H]1C[N@H+](C)CCN1C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000836477786 746233803 /nfs/dbraw/zinc/23/38/03/746233803.db2.gz QBERNSDFWPQIAX-LLVKDONJSA-N 1 0 371.235 2.915 20 5 FFBDRO CO[C@@](C)([C@@H](C)[NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CC1 ZINC000839637517 746877112 /nfs/dbraw/zinc/87/71/12/746877112.db2.gz FARQLZSTBODJHF-HWPZZCPQSA-N 1 0 355.822 2.980 20 5 FFBDRO [NH3+]C[C@H]1CC[C@@H](NC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000841161880 747285110 /nfs/dbraw/zinc/28/51/10/747285110.db2.gz OWSGTDPGQOZSHF-DTWKUNHWSA-N 1 0 357.208 2.606 20 5 FFBDRO C[C@@H](C[NH+](C)C)NC(=O)N[C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC000841765268 747453228 /nfs/dbraw/zinc/45/32/28/747453228.db2.gz WXGPKFPGBGOKLQ-QPUJVOFHSA-N 1 0 366.315 2.587 20 5 FFBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000841859075 747477826 /nfs/dbraw/zinc/47/78/26/747477826.db2.gz XNQWPORPPQAGPZ-QWHCGFSZSA-N 1 0 366.849 2.779 20 5 FFBDRO Cc1cc([C@@H]([NH3+])CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc(Cl)n1 ZINC000843371922 747818992 /nfs/dbraw/zinc/81/89/92/747818992.db2.gz FFSKPGSUSQZGSD-AWEZNQCLSA-N 1 0 360.801 2.931 20 5 FFBDRO [NH3+]C[C@H]1CC[C@H](CNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000843481100 747842836 /nfs/dbraw/zinc/84/28/36/747842836.db2.gz ZOOYIWLPZNIRJB-XYPYZODXSA-N 1 0 357.813 2.811 20 5 FFBDRO COCC[NH+]1CCC(OC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)CC1 ZINC000847881242 748802671 /nfs/dbraw/zinc/80/26/71/748802671.db2.gz IAMUEDHOHGQDEP-ZDUSSCGKSA-N 1 0 368.455 2.729 20 5 FFBDRO CCCN(C)CC(C)(C)[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000852715965 749931128 /nfs/dbraw/zinc/93/11/28/749931128.db2.gz FBSANJYFFFHHHJ-UHFFFAOYSA-N 1 0 354.426 2.773 20 5 FFBDRO CC(C)C[NH2+]C1(CO)CCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1 ZINC000853660580 750129294 /nfs/dbraw/zinc/12/92/94/750129294.db2.gz GWMSCSDABUTFDF-UHFFFAOYSA-N 1 0 364.471 2.781 20 5 FFBDRO C[C@@H](CN(C)CCC[NH+](C)C)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000853774848 750160438 /nfs/dbraw/zinc/16/04/38/750160438.db2.gz WURUZAWTFJOJBG-LBPRGKRZSA-N 1 0 351.476 2.888 20 5 FFBDRO C[C@@H]1OC[C@]2(CC[C@@H](C[NH2+]Cc3nc4cc([N+](=O)[O-])ccc4o3)O2)[C@H]1C ZINC000895818466 970983339 /nfs/dbraw/zinc/98/33/39/970983339.db2.gz DAYRZRNOAIFJCJ-MMNXLFCMSA-N 1 0 361.398 2.798 20 5 FFBDRO COC(=O)c1ccnc(N2CC3(CC[NH2+]CC3)c3ccccc32)c1[N+](=O)[O-] ZINC001167068963 959444398 /nfs/dbraw/zinc/44/43/98/959444398.db2.gz GEZQOKUCGCTDST-UHFFFAOYSA-N 1 0 368.393 2.549 20 5 FFBDRO CN(C(=O)C[N@@H+]1CCC[C@H](OC2CCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000872280182 1013198063 /nfs/dbraw/zinc/19/80/63/1013198063.db2.gz OMBLRKRUOXPHAN-SFHVURJKSA-N 1 0 361.442 2.981 20 5 FFBDRO CN(C(=O)CC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1)c1ccccc1 ZINC000134987163 961778806 /nfs/dbraw/zinc/77/88/06/961778806.db2.gz RWIVRKRKGXYRCK-UHFFFAOYSA-N 1 0 368.437 2.770 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H]1CN(Cc2ccncc2)CCO1 ZINC000873145213 1013401528 /nfs/dbraw/zinc/40/15/28/1013401528.db2.gz JBGNYKUCDJUCBY-SFHVURJKSA-N 1 0 370.453 2.597 20 5 FFBDRO CCC[NH+]1CCC(CNC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)CC1 ZINC000825665289 1013426626 /nfs/dbraw/zinc/42/66/26/1013426626.db2.gz QJYYHZUNWPTNRP-UHFFFAOYSA-N 1 0 366.437 2.652 20 5 FFBDRO O=[N+]([O-])c1cnc2ccc(F)cc2c1N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000894437425 965372144 /nfs/dbraw/zinc/37/21/44/965372144.db2.gz YXNDOSKHTOZKOL-HNNXBMFYSA-N 1 0 374.416 2.973 20 5 FFBDRO [NH3+]CCc1cn(-c2ccc3nsnc3c2[N+](=O)[O-])c2ccc(O)cc12 ZINC001167985639 965860847 /nfs/dbraw/zinc/86/08/47/965860847.db2.gz JKXAOVYBFAGQRC-UHFFFAOYSA-N 1 0 355.379 2.750 20 5 FFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3cnn(CC4CCC4)c3)C2)nc1 ZINC000892077892 965944497 /nfs/dbraw/zinc/94/44/97/965944497.db2.gz BQLIKTSMFKLMGU-MRXNPFEDSA-N 1 0 356.430 2.673 20 5 FFBDRO C[NH+](C)CCN(CCCc1ccccc1)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000161400651 966956025 /nfs/dbraw/zinc/95/60/25/966956025.db2.gz BPJWFXKFINCWTJ-UHFFFAOYSA-N 1 0 370.453 2.814 20 5 FFBDRO Cc1c(C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000728604512 968814186 /nfs/dbraw/zinc/81/41/86/968814186.db2.gz DZZILEXNSYNXGH-ZDUSSCGKSA-N 1 0 364.402 2.722 20 5 FFBDRO O=C1C[C@@H](Oc2ccc([N+](=O)[O-])cc2)N1CN1CC[C@@H](CC(F)(F)F)C1 ZINC000840058498 969052375 /nfs/dbraw/zinc/05/23/75/969052375.db2.gz SSWISPDQHPPVEC-XHDPSFHLSA-N 1 0 373.331 2.764 20 5 FFBDRO O=[N+]([O-])c1cnc2ccc(F)cc2c1NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000892601000 969560858 /nfs/dbraw/zinc/56/08/58/969560858.db2.gz RAIWNOXPJOMIMV-CYBMUJFWSA-N 1 0 374.416 2.617 20 5 FFBDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000874847388 1013917271 /nfs/dbraw/zinc/91/72/71/1013917271.db2.gz PBMBBLHGKQLCHA-RBUKOAKNSA-N 1 0 372.469 2.894 20 5 FFBDRO CCCNC(=O)[C@H]1CCC[N@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000103458167 970401948 /nfs/dbraw/zinc/40/19/48/970401948.db2.gz OZJSAFVLCIHBAA-INIZCTEOSA-N 1 0 371.441 2.654 20 5 FFBDRO Cc1ccc(C2=NO[C@H](C[NH2+]C3CC(n4cc([N+](=O)[O-])cn4)C3)C2)cc1C ZINC000895503420 970675566 /nfs/dbraw/zinc/67/55/66/970675566.db2.gz VCYSHWWFUVAHIN-HTWSVDAQSA-N 1 0 369.425 2.894 20 5 FFBDRO O=C1N[C@H](C2CC[NH+](Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CO1 ZINC000897019211 973158075 /nfs/dbraw/zinc/15/80/75/973158075.db2.gz LYVSTUWBVSDWAN-ZDUSSCGKSA-N 1 0 373.331 2.934 20 5 FFBDRO C[C@H](CNC(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000897057932 973202685 /nfs/dbraw/zinc/20/26/85/973202685.db2.gz KIWPBKOYURXYCG-VYDXJSESSA-N 1 0 360.458 2.967 20 5 FFBDRO CCCc1ccc(C[N@H+](C)C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1 ZINC000985426858 974051280 /nfs/dbraw/zinc/05/12/80/974051280.db2.gz UXNFHYHQFGIVGN-RTBURBONSA-N 1 0 359.470 2.727 20 5 FFBDRO Cc1nn(CCC(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)c(C)c1[N+](=O)[O-] ZINC000738517797 974075535 /nfs/dbraw/zinc/07/55/35/974075535.db2.gz XVVJIWDLTDFUJG-UHFFFAOYSA-N 1 0 373.457 2.518 20 5 FFBDRO C[Si](C)(C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC001167778361 974281116 /nfs/dbraw/zinc/28/11/16/974281116.db2.gz FCEQCRPIVCTGHX-HNNXBMFYSA-N 1 0 356.502 2.631 20 5 FFBDRO CC[NH+]1CCN(c2cc(N(C)C(=O)Cc3ccoc3)cc([N+](=O)[O-])c2)CC1 ZINC000876228439 1014187907 /nfs/dbraw/zinc/18/79/07/1014187907.db2.gz PCBKDKJHRYOVDZ-UHFFFAOYSA-N 1 0 372.425 2.535 20 5 FFBDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)[C@@H]2C1 ZINC000644826903 975329353 /nfs/dbraw/zinc/32/93/53/975329353.db2.gz GWEFPKSHCDONKU-MGPUTAFESA-N 1 0 361.445 2.848 20 5 FFBDRO COc1cccc(COCC(=[NH2+])NOCc2c(F)cccc2[N+](=O)[O-])c1 ZINC000728910582 977362031 /nfs/dbraw/zinc/36/20/31/977362031.db2.gz QBRHGBGDRNCACA-UHFFFAOYSA-N 1 0 363.345 2.958 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCC[C@@H]([C@@H](O)c2nccn2C)C1 ZINC000876809103 1014402051 /nfs/dbraw/zinc/40/20/51/1014402051.db2.gz CQMKDISFWGMRKT-CRAIPNDOSA-N 1 0 358.442 2.891 20 5 FFBDRO Cc1c(C(=O)N[C@@H](C)C[NH+]2CCCCC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000126195795 1014403665 /nfs/dbraw/zinc/40/36/65/1014403665.db2.gz ANVYWRWNAKLRSS-NSHDSACASA-N 1 0 364.402 2.724 20 5 FFBDRO COc1ccc(C[C@H](C)[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)cc1OC ZINC000877018273 1014450416 /nfs/dbraw/zinc/45/04/16/1014450416.db2.gz LLEFGBYMVZCGAP-GRTSSRMGSA-N 1 0 360.414 2.733 20 5 FFBDRO C[NH+](C)[C@H](CNC(=O)NCCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000126320504 978358709 /nfs/dbraw/zinc/35/87/09/978358709.db2.gz MZMCSINMQBAYQB-GOSISDBHSA-N 1 0 356.426 2.739 20 5 FFBDRO C[C@H](NC(=O)C1CCC([NH+]2CCOCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000900268012 979126691 /nfs/dbraw/zinc/12/66/91/979126691.db2.gz LRLQSAUMGZRLCG-UQPPLGOBSA-N 1 0 361.442 2.663 20 5 FFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]Cc3ccn(Cc4ccccc4)n3)C2)c1 ZINC000877507881 1014606622 /nfs/dbraw/zinc/60/66/22/1014606622.db2.gz OQJUHVHBXOMVOI-UHFFFAOYSA-N 1 0 352.398 2.529 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CC[C@@H](O)c3ccccc3)CC2)cn1 ZINC000877528259 1014612734 /nfs/dbraw/zinc/61/27/34/1014612734.db2.gz WNGJSJCJZMVGPP-GOSISDBHSA-N 1 0 356.426 2.672 20 5 FFBDRO Cc1ccc(C)c(C[N@H+](C)CC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 ZINC001029964670 980156724 /nfs/dbraw/zinc/15/67/24/980156724.db2.gz VBKIQVXUHOHKRI-RTBURBONSA-N 1 0 359.470 2.639 20 5 FFBDRO COc1cc(CNCC2([NH3+])CC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000904451381 980279251 /nfs/dbraw/zinc/27/92/51/980279251.db2.gz XXBOCJHFUAWAPF-UHFFFAOYSA-N 1 0 357.410 2.763 20 5 FFBDRO Cn1ccnc1[C@H](Cc1ccccc1)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877612626 1014645378 /nfs/dbraw/zinc/64/53/78/1014645378.db2.gz MGHVZFPKNMIUKA-HTWSVDAQSA-N 1 0 366.425 2.802 20 5 FFBDRO CC1(C)C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC2(CCCC2)O1 ZINC000190980152 980358900 /nfs/dbraw/zinc/35/89/00/980358900.db2.gz DGIWMBCPQFGDQY-HNNXBMFYSA-N 1 0 364.442 2.758 20 5 FFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CC[C@H]2CCC3(CCOCC3)CO2)c1 ZINC000905475084 980443047 /nfs/dbraw/zinc/44/30/47/980443047.db2.gz YRNSHGKYXQDSIP-MSOLQXFVSA-N 1 0 364.442 2.584 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CCc1cnc2ccccc2c1 ZINC000905567035 980467016 /nfs/dbraw/zinc/46/70/16/980467016.db2.gz XEWISQDOJBPBST-QGZVFWFLSA-N 1 0 367.405 2.715 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2CCOc3c(F)cccc32)c1 ZINC000905636726 980477250 /nfs/dbraw/zinc/47/72/50/980477250.db2.gz MIUQGJGZNNYABZ-CXAGYDPISA-N 1 0 362.357 2.587 20 5 FFBDRO O=[N+]([O-])c1ccccc1-c1nnc(CN[C@@]2(CO)CCc3ccccc32)o1 ZINC001168264462 981241396 /nfs/dbraw/zinc/24/13/96/981241396.db2.gz IXEFYKDADMGLAL-LJQANCHMSA-N 1 0 366.377 2.568 20 5 FFBDRO Cc1ccc(NC(=O)N2CCC([NH2+]C3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000877902642 1014758727 /nfs/dbraw/zinc/75/87/27/1014758727.db2.gz CSYLOUVWCZHRHG-UHFFFAOYSA-N 1 0 362.430 2.668 20 5 FFBDRO COCCN(CC1CC[NH+](C)CC1)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000877903279 1014760659 /nfs/dbraw/zinc/76/06/59/1014760659.db2.gz NXTZOCHJWQDOLL-UHFFFAOYSA-N 1 0 364.446 2.725 20 5 FFBDRO CC(C)c1ccccc1C[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC000963791196 1014766813 /nfs/dbraw/zinc/76/68/13/1014766813.db2.gz OXJQMQDPCSFUTF-LYBMJUBJSA-N 1 0 371.481 2.992 20 5 FFBDRO CCOc1cc(C(=O)N2CCC[N@H+](CC)C[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000910293306 981901760 /nfs/dbraw/zinc/90/17/60/981901760.db2.gz NXCNJWAIBISPGW-CYBMUJFWSA-N 1 0 365.430 2.558 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)[C@H](C)C1 ZINC000878259044 1014953198 /nfs/dbraw/zinc/95/31/98/1014953198.db2.gz XYNQIUFVOSGHPH-HIFRSBDPSA-N 1 0 359.430 2.807 20 5 FFBDRO O=C([C@@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000911973177 983929679 /nfs/dbraw/zinc/92/96/79/983929679.db2.gz GXXKZSPHSFRPFU-MNEFBYGVSA-N 1 0 372.469 2.554 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@H]3COc4ccccc4O3)CC2)cc1 ZINC000764564100 984569792 /nfs/dbraw/zinc/56/97/92/984569792.db2.gz NYJRTENLDVVRHZ-SFHVURJKSA-N 1 0 369.421 2.993 20 5 FFBDRO C[N@@H+]1CCCN(c2ccc(NC(=O)Cc3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC000046404161 984675628 /nfs/dbraw/zinc/67/56/28/984675628.db2.gz VCOYCJPOTYXEOS-UHFFFAOYSA-N 1 0 368.437 2.918 20 5 FFBDRO Cn1ncc2c1CCC[C@@H]2[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000764886330 984784509 /nfs/dbraw/zinc/78/45/09/984784509.db2.gz QPOWADMDMFUWKW-SFHVURJKSA-N 1 0 355.442 2.964 20 5 FFBDRO C[N@@H+]1CCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)[C@H](c2ccccc2)C1 ZINC000170639342 985099148 /nfs/dbraw/zinc/09/91/48/985099148.db2.gz JYXJAOHGHXNPPB-IBGZPJMESA-N 1 0 366.421 2.973 20 5 FFBDRO CO[C@@]1(C)C[C@H]([N@H+](C)Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1(C)C ZINC000173545939 985874833 /nfs/dbraw/zinc/87/48/33/985874833.db2.gz QZTQURRKUFMOHV-YJBOKZPZSA-N 1 0 359.430 2.946 20 5 FFBDRO COc1cc(F)cc(CNC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)c1 ZINC001127213134 986009039 /nfs/dbraw/zinc/00/90/39/986009039.db2.gz GZUSOMVNIJXJHD-UHFFFAOYSA-N 1 0 370.340 2.858 20 5 FFBDRO C[C@@H]1CC2(CCC2)C[N@@H+]1CN1C(=O)N[C@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000762147236 988154279 /nfs/dbraw/zinc/15/42/79/988154279.db2.gz XXBMDPXQKYFKLW-FZKQIMNGSA-N 1 0 372.425 2.584 20 5 FFBDRO O=C(c1cc2ccccc2c2cccnc12)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000673514239 988433645 /nfs/dbraw/zinc/43/36/45/988433645.db2.gz LVZDMHZMZZYRKR-IRXDYDNUSA-N 1 0 361.445 2.669 20 5 FFBDRO CC(C)O[C@@]1(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000922612072 988753933 /nfs/dbraw/zinc/75/39/33/988753933.db2.gz USMQYCPYLLLPFD-LJQANCHMSA-N 1 0 374.441 2.669 20 5 FFBDRO CC(C)c1ccc(C[NH2+]CC2(O)CCC3(CC2)OCCO3)cc1[N+](=O)[O-] ZINC000922621923 988755601 /nfs/dbraw/zinc/75/56/01/988755601.db2.gz GUVDOEWRDVJYND-UHFFFAOYSA-N 1 0 364.442 2.856 20 5 FFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[C@H]2C[N@@H+](CCC3CCCCC3)C[C@H]2CC1 ZINC000946589140 988764403 /nfs/dbraw/zinc/76/44/03/988764403.db2.gz IHMRJPBSCUQVNW-FCGDIQPGSA-N 1 0 363.502 2.792 20 5 FFBDRO CCO[C@H]1C[C@H]([N@H+](C)Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C12CCC2 ZINC000763236638 989248441 /nfs/dbraw/zinc/24/84/41/989248441.db2.gz RMGLPYVMHMUEKB-HOTGVXAUSA-N 1 0 359.430 2.885 20 5 FFBDRO COc1cccc(C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000194580778 990340973 /nfs/dbraw/zinc/34/09/73/990340973.db2.gz LBNUGRXQTJAFOH-UHFFFAOYSA-N 1 0 361.373 2.604 20 5 FFBDRO Cc1ccc(C)c(C[N@@H+]2CCC3(C2)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC3)c1 ZINC001035187533 990409665 /nfs/dbraw/zinc/40/96/65/990409665.db2.gz VXEYQRRAWFWMKH-RTBURBONSA-N 1 0 371.481 2.783 20 5 FFBDRO C[N@H+](CCC1CCOCC1)CN1CCN(c2ccccc2[N+](=O)[O-])C1=O ZINC000154784089 990459726 /nfs/dbraw/zinc/45/97/26/990459726.db2.gz KYRNYWBLVOOWKN-UHFFFAOYSA-N 1 0 362.430 2.543 20 5 FFBDRO CC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H](CO)c1ccccc1 ZINC000880460713 1015840856 /nfs/dbraw/zinc/84/08/56/1015840856.db2.gz BTBDACUXNLGQKU-SFHVURJKSA-N 1 0 357.410 2.979 20 5 FFBDRO C[C@]1(COC(=O)CCn2cc([N+](=O)[O-])cn2)CCC[N@@H+]1Cc1ccccc1 ZINC000747772349 995372525 /nfs/dbraw/zinc/37/25/25/995372525.db2.gz ORYXUMADQVFMCM-LJQANCHMSA-N 1 0 372.425 2.779 20 5 FFBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000812393583 995427253 /nfs/dbraw/zinc/42/72/53/995427253.db2.gz FNFUETPELJGIRH-NSHDSACASA-N 1 0 366.418 2.970 20 5 FFBDRO Cc1ccc([C@@H](CNC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)[NH+](C)C)cc1 ZINC000823997421 996773753 /nfs/dbraw/zinc/77/37/53/996773753.db2.gz CMMZHFLUTLQZGN-QGZVFWFLSA-N 1 0 357.414 2.910 20 5 FFBDRO C[N@@H+]1CC[C@H]2CN(C(=O)c3ccnc(-c4ccccc4)c3[N+](=O)[O-])CC[C@H]21 ZINC000827268055 1016088499 /nfs/dbraw/zinc/08/84/99/1016088499.db2.gz QFZYCCXORCPEQT-DOTOQJQBSA-N 1 0 366.421 2.823 20 5 FFBDRO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000824853416 997109669 /nfs/dbraw/zinc/10/96/69/997109669.db2.gz FAHXRPOPBIEZBZ-MSOLQXFVSA-N 1 0 361.442 2.885 20 5 FFBDRO Cc1ccc(C[N@@H+]2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000824828112 997115915 /nfs/dbraw/zinc/11/59/15/997115915.db2.gz LGAJWKHEJJSPGP-KBPBESRZSA-N 1 0 371.359 2.746 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]([C@@H](CO)C3CC3)C3CC3)CC2)cc1 ZINC000824846184 997124589 /nfs/dbraw/zinc/12/45/89/997124589.db2.gz QDVXRPJYFBCPHD-PMACEKPBSA-N 1 0 359.470 2.950 20 5 FFBDRO O=C(CC[NH2+]C[C@@H]1COc2ccccc2C1)Nc1ccccc1[N+](=O)[O-] ZINC000844259949 997750838 /nfs/dbraw/zinc/75/08/38/997750838.db2.gz ZNCMHINONISZFV-CQSZACIVSA-N 1 0 355.394 2.764 20 5 FFBDRO C[C@@H](OC(=O)CC[C@H]1CCCC[N@@H+]1C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000803859749 1016248659 /nfs/dbraw/zinc/24/86/59/1016248659.db2.gz VQSNJIRZDMNBQP-ZIAGYGMSSA-N 1 0 363.414 2.730 20 5 FFBDRO CC[C@@H](C(=O)OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[NH+](CC)CC ZINC000741031953 999701165 /nfs/dbraw/zinc/70/11/65/999701165.db2.gz BUPGEDOECDPKMM-AWEZNQCLSA-N 1 0 362.386 2.808 20 5 FFBDRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2cc3ccccc3s2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001086083236 999754590 /nfs/dbraw/zinc/75/45/90/999754590.db2.gz RRZHEDIJWSJCKW-WXYCVUISSA-N 1 0 359.451 2.551 20 5 FFBDRO CN(CC[C@H]1CCCC[N@@H+]1C)c1ccc([N+](=O)[O-])cc1C(=O)NC1CC1 ZINC000742419173 999773142 /nfs/dbraw/zinc/77/31/42/999773142.db2.gz VTPGSMCJXQMHPU-OAHLLOKOSA-N 1 0 360.458 2.798 20 5 FFBDRO [NH3+][C@H]1CCN(C(F)(F)c2cc(-c3ccc([N+](=O)[O-])cc3)nnc2Cl)C1 ZINC001156232677 1000005068 /nfs/dbraw/zinc/00/50/68/1000005068.db2.gz ZPMJAUZJBWMLMT-JTQLQIEISA-N 1 0 369.759 2.788 20 5 FFBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]C2CCN(c3ncnc4ccccc43)CC2)C1 ZINC001168977066 1000012062 /nfs/dbraw/zinc/01/20/62/1000012062.db2.gz HNYVAINZSYDRKN-GOEBONIOSA-N 1 0 355.442 2.634 20 5 FFBDRO CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001168960239 1000013028 /nfs/dbraw/zinc/01/30/28/1000013028.db2.gz FEYQTPOCZRBJQT-DGXTUMSLSA-N 1 0 353.463 2.952 20 5 FFBDRO CC(C)(C)OC(=O)NC1CC2(C1)CC([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001168968438 1000013207 /nfs/dbraw/zinc/01/32/07/1000013207.db2.gz ZCCCIPGUGWBSPK-KHYYSDFOSA-N 1 0 353.463 2.857 20 5 FFBDRO CC(C)(C)OC(=O)NC1CC2(C1)CC([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001168968440 1000013283 /nfs/dbraw/zinc/01/32/83/1000013283.db2.gz ZCCCIPGUGWBSPK-OWKGEXNCSA-N 1 0 353.463 2.857 20 5 FFBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCN(c3ncccc3C(F)(F)F)CC2)C1 ZINC001169006825 1000014937 /nfs/dbraw/zinc/01/49/37/1000014937.db2.gz JKPOIRUHFQWICT-STQMWFEESA-N 1 0 358.364 2.668 20 5 FFBDRO CC(C)(C)OC(=O)N1CC[C@]2(CC[N@@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C2)C1 ZINC001169010291 1000015383 /nfs/dbraw/zinc/01/53/83/1000015383.db2.gz CHLDJXDLQQBEJJ-MPGHIAIKSA-N 1 0 353.463 2.765 20 5 FFBDRO CC(C)(C)OC(=O)N1CCC[C@]12CC[N@@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169011813 1000015572 /nfs/dbraw/zinc/01/55/72/1000015572.db2.gz MLGMBZGUDFVQEU-RLFYNMQTSA-N 1 0 353.463 2.907 20 5 FFBDRO CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)C[N@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169011963 1000015578 /nfs/dbraw/zinc/01/55/78/1000015578.db2.gz NYYQCMDXDIIWTO-CAOSSQGBSA-N 1 0 353.463 2.621 20 5 FFBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C[C@@H](c2ccccc2Cl)N2CCOCC2)C1 ZINC001168989994 1000016180 /nfs/dbraw/zinc/01/61/80/1000016180.db2.gz AHQVFBLQSUEXHP-RKVPGOIHSA-N 1 0 367.877 2.748 20 5 FFBDRO CC(C)(C)OC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169036854 1000016612 /nfs/dbraw/zinc/01/66/12/1000016612.db2.gz QIJDEHQFRWOMBH-KHEOEIQESA-N 1 0 353.463 2.952 20 5 FFBDRO CCOC[C@@H]1C[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)Cc2cnn(CC3CC3)c21 ZINC001169018262 1000017221 /nfs/dbraw/zinc/01/72/21/1000017221.db2.gz AJHDBIKSNIBXSZ-RYQLBKOJSA-N 1 0 362.474 2.674 20 5 FFBDRO CN1C(=O)C[C@H](c2ccccc2)C12CC[NH+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169024403 1000017849 /nfs/dbraw/zinc/01/78/49/1000017849.db2.gz GYCDPQBMMSEGQX-BHIYHBOVSA-N 1 0 371.481 2.912 20 5 FFBDRO COC(=O)COc1ccc([C@@H](C)[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000767876887 1000154019 /nfs/dbraw/zinc/15/40/19/1000154019.db2.gz RMWPHBPNIWMNBA-FZKQIMNGSA-N 1 0 374.393 2.531 20 5 FFBDRO COC(=O)COc1ccc(C[N@@H+]2CCC[C@]3(CC3(F)F)C2)cc1[N+](=O)[O-] ZINC000846105955 1000209351 /nfs/dbraw/zinc/20/93/51/1000209351.db2.gz ZHAHFEHIURQWNN-INIZCTEOSA-N 1 0 370.352 2.768 20 5 FFBDRO CC[N@H+](CCCNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000846368736 1000290026 /nfs/dbraw/zinc/29/00/26/1000290026.db2.gz HSTLZOZKGRXLPR-GOSISDBHSA-N 1 0 363.458 2.789 20 5 FFBDRO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)C2 ZINC000846689142 1000408865 /nfs/dbraw/zinc/40/88/65/1000408865.db2.gz PBAJQOSKKMGZSD-YWZLYKJASA-N 1 0 372.469 2.786 20 5 FFBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC001146308777 1000654460 /nfs/dbraw/zinc/65/44/60/1000654460.db2.gz YQLCGKPIUKXODR-CQSZACIVSA-N 1 0 372.425 2.512 20 5 FFBDRO CC(C)[N@H+](C[C@@H](O)COc1ccccc1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000770044659 1000663865 /nfs/dbraw/zinc/66/38/65/1000663865.db2.gz RHXJSRSMLDLSKA-UYAOXDASSA-N 1 0 374.437 2.779 20 5 FFBDRO CC[NH+](CC)CC1CCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000746517021 1001226846 /nfs/dbraw/zinc/22/68/46/1001226846.db2.gz DSFUPIVCGWXWFO-UHFFFAOYSA-N 1 0 367.421 2.693 20 5 FFBDRO O=C(CC1([NH+]2CCOCC2)CCCC1)OCc1ccc([N+](=O)[O-])cc1F ZINC000786094812 1001527371 /nfs/dbraw/zinc/52/73/71/1001527371.db2.gz BHKVFGXFKSZJDT-UHFFFAOYSA-N 1 0 366.389 2.812 20 5 FFBDRO C[C@@H]([NH2+]C[C@@H](c1ccccc1)N1CCOCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788506467 1001814613 /nfs/dbraw/zinc/81/46/13/1001814613.db2.gz LQCJPVBXXLWHEQ-QRWLVFNGSA-N 1 0 370.453 2.901 20 5 FFBDRO CC(=O)Nc1ccc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC000788609254 1001823411 /nfs/dbraw/zinc/82/34/11/1001823411.db2.gz UMIMCNOFUOIIHK-UHFFFAOYSA-N 1 0 369.425 2.707 20 5 FFBDRO COc1c(O)ccc(CN[C@@H](CCO)c2ccccc2F)c1[N+](=O)[O-] ZINC001182545605 1001955264 /nfs/dbraw/zinc/95/52/64/1001955264.db2.gz XNFXXLQKFDGCRB-AWEZNQCLSA-N 1 0 350.346 2.661 20 5 FFBDRO CC[N@H+](C)Cc1cccc(CNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)c1 ZINC000791331155 1002656546 /nfs/dbraw/zinc/65/65/46/1002656546.db2.gz CGPWTJJUQDFEFB-UHFFFAOYSA-N 1 0 360.389 2.698 20 5 FFBDRO COc1ccc(C[C@H](C)[NH2+]C2CCN(C(=O)C(C)C)CC2)c([N+](=O)[O-])c1 ZINC001170297830 1003091407 /nfs/dbraw/zinc/09/14/07/1003091407.db2.gz TXKVFLZHDAMAQU-AWEZNQCLSA-N 1 0 363.458 2.771 20 5 FFBDRO COc1ccc(C[C@@H](C)[NH2+]CCNC(=O)OC(C)(C)C)c([N+](=O)[O-])c1 ZINC001170298979 1003091950 /nfs/dbraw/zinc/09/19/50/1003091950.db2.gz OXPBMQAEDFUDSN-GFCCVEGCSA-N 1 0 353.419 2.649 20 5 FFBDRO COc1cccc(C[C@@H](CO)[NH2+][C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])c1 ZINC001170304284 1003092590 /nfs/dbraw/zinc/09/25/90/1003092590.db2.gz AYBXRZLHBMNCEY-PBHICJAKSA-N 1 0 374.437 2.736 20 5 FFBDRO COc1ccc(C[C@@H](C)[N@@H+]2C[C@H](CO)[C@@H](C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC001170329358 1003115129 /nfs/dbraw/zinc/11/51/29/1003115129.db2.gz PJSZDRLXKYWKEN-QKCSRTOESA-N 1 0 362.348 2.637 20 5 FFBDRO COc1ccc(C[C@@H](C)N2CCN(c3cc[nH+]cc3)CC2)c([N+](=O)[O-])c1 ZINC001170329803 1003116170 /nfs/dbraw/zinc/11/61/70/1003116170.db2.gz UVYSHGLRBNCJGT-OAHLLOKOSA-N 1 0 356.426 2.752 20 5 FFBDRO COc1ccc(C[C@@H](C)N(c2ccccn2)[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001170351534 1003136840 /nfs/dbraw/zinc/13/68/40/1003136840.db2.gz CXCKMAOWBONQQQ-GDBMZVCRSA-N 1 0 356.426 2.798 20 5 FFBDRO Cc1ccc(C[NH2+]Cc2ccc(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])c(F)c2)cc1 ZINC001001522586 1016828814 /nfs/dbraw/zinc/82/88/14/1016828814.db2.gz FYNKSCOKINSADC-IEBWSBKVSA-N 1 0 371.412 2.705 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(c2ncco2)CC1 ZINC001196789460 1003956793 /nfs/dbraw/zinc/95/67/93/1003956793.db2.gz MFFLLBMVPYKYEC-UHFFFAOYSA-N 1 0 374.397 2.800 20 5 FFBDRO Cn1cc([C@@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c2ccc(F)cc2)cn1 ZINC000775753979 1004027493 /nfs/dbraw/zinc/02/74/93/1004027493.db2.gz ZOGPIZWTEULGEE-MOPGFXCFSA-N 1 0 370.384 2.880 20 5 FFBDRO CCCNC(=O)OC[C@H]1CCCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000805776975 1004129233 /nfs/dbraw/zinc/12/92/33/1004129233.db2.gz XGUHLJNGIOGXGW-SJORKVTESA-N 1 0 365.430 2.619 20 5 FFBDRO CC(C)[C@](O)(C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1ccccc1 ZINC001194030478 1004633758 /nfs/dbraw/zinc/63/37/58/1004633758.db2.gz OIKVPXWPQJQXKV-LJQANCHMSA-N 1 0 358.442 2.972 20 5 FFBDRO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776275133 1005342125 /nfs/dbraw/zinc/34/21/25/1005342125.db2.gz JJYJYYWHIXVVDU-AUUYWEPGSA-N 1 0 367.409 2.902 20 5 FFBDRO CCCCNC(=O)c1ccc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000776278798 1005344897 /nfs/dbraw/zinc/34/48/97/1005344897.db2.gz VYBOOSWIXGKPNG-IBGZPJMESA-N 1 0 371.437 2.948 20 5 FFBDRO CNC(=O)c1ccc(C[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000776574794 1005953826 /nfs/dbraw/zinc/95/38/26/1005953826.db2.gz LQRLWUXOZMQJAL-IBGZPJMESA-N 1 0 369.421 2.652 20 5 FFBDRO CC(C)(C)C(=O)NC[C@H]1CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776582265 1005962650 /nfs/dbraw/zinc/96/26/50/1005962650.db2.gz NPGYJZFWJWALEB-RHSMWYFYSA-N 1 0 363.458 2.503 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC001133954791 1006058889 /nfs/dbraw/zinc/05/88/89/1006058889.db2.gz IOGWYXWQMKFRIB-CQSZACIVSA-N 1 0 354.410 2.958 20 5 FFBDRO [NH3+]C[C@@H]1CCc2ccccc2N1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000852755801 1006168377 /nfs/dbraw/zinc/16/83/77/1006168377.db2.gz FUGBAPXDSGGCOX-HNNXBMFYSA-N 1 0 372.400 2.843 20 5 FFBDRO [NH3+][C@H]1CCc2ccccc2N(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000852755257 1006168522 /nfs/dbraw/zinc/16/85/22/1006168522.db2.gz JMQASBXTNKVHCA-AWEZNQCLSA-N 1 0 374.828 2.967 20 5 FFBDRO CC[C@@H](CN1CCOCC1)Nc1c2cccc(Cl)c2ncc1[N+](=O)[O-] ZINC001187663284 1006190129 /nfs/dbraw/zinc/19/01/29/1006190129.db2.gz UKQBWWAYIDUZPY-LBPRGKRZSA-N 1 0 364.833 2.741 20 5 FFBDRO CCC[NH+]1CCC(CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)CC1 ZINC000129197264 1006195880 /nfs/dbraw/zinc/19/58/80/1006195880.db2.gz KWBKFZHAYRVZNQ-UHFFFAOYSA-N 1 0 364.402 2.663 20 5 FFBDRO O=[N+]([O-])c1c(F)nccc1N1CCC([NH2+]CCOc2ccccc2)CC1 ZINC000882000152 1006274713 /nfs/dbraw/zinc/27/47/13/1006274713.db2.gz YMWYZBHBXKFQPR-UHFFFAOYSA-N 1 0 360.389 2.766 20 5 FFBDRO O=[N+]([O-])c1cn(CN2CC[NH+](C3CCCCC3)CC2)nc1-c1ccccn1 ZINC000853502521 1006417271 /nfs/dbraw/zinc/41/72/71/1006417271.db2.gz CFFAMEAFKHHWCA-UHFFFAOYSA-N 1 0 370.457 2.761 20 5 FFBDRO O=[N+]([O-])c1cn(C[N@@H+]2CCC[C@@H]2[C@H]2CCCOC2)nc1-c1ccccn1 ZINC000853517709 1006423360 /nfs/dbraw/zinc/42/33/60/1006423360.db2.gz BUMWRRKLBAJKBQ-GOEBONIOSA-N 1 0 357.414 2.702 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC[C@@H]([NH2+]C3CCOCC3)C2)c2ccncc21 ZINC000882725525 1006490149 /nfs/dbraw/zinc/49/01/49/1006490149.db2.gz UTUOCLKZUHLFAS-OAHLLOKOSA-N 1 0 356.426 2.880 20 5 FFBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@]2(CCN(c3ccc([N+](=O)[O-])cn3)C2)O1 ZINC000882979988 1006585794 /nfs/dbraw/zinc/58/57/94/1006585794.db2.gz VIHLOYJCFHAXDG-OXJNMPFZSA-N 1 0 368.437 2.860 20 5 FFBDRO COc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C)cc3)C2)cc1[N+](=O)[O-] ZINC001152412246 1032160825 /nfs/dbraw/zinc/16/08/25/1032160825.db2.gz UBJYSQZQMDIKOF-KRWDZBQOSA-N 1 0 369.421 2.916 20 5 FFBDRO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000854333497 1006782795 /nfs/dbraw/zinc/78/27/95/1006782795.db2.gz RIPKODUTLYJISL-ZPWFJYARSA-N 1 0 373.453 2.711 20 5 FFBDRO O=C(Nc1cccc([N+](=O)[O-])c1)[C@@]1(O)CCC[N@H+](Cc2ccccc2)C1 ZINC001135504712 1006982351 /nfs/dbraw/zinc/98/23/51/1006982351.db2.gz QQLKHHDBBSJTOW-LJQANCHMSA-N 1 0 355.394 2.560 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)c1C ZINC001189997595 1007417749 /nfs/dbraw/zinc/41/77/49/1007417749.db2.gz QNGQVVGOHIHWHE-MRXNPFEDSA-N 1 0 369.487 2.610 20 5 FFBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CC[C@]3(CCC[NH2+]3)C2)CC1 ZINC000818017324 1007840324 /nfs/dbraw/zinc/84/03/24/1007840324.db2.gz BDZTXQXMADUMKI-HXUWFJFHSA-N 1 0 372.469 2.799 20 5 FFBDRO [NH3+]CCC[C@H](NC(=O)COc1ccc([N+](=O)[O-])c(F)c1)c1ccccc1 ZINC000818006094 1007850489 /nfs/dbraw/zinc/85/04/89/1007850489.db2.gz XTMDMIRKABOKDX-INIZCTEOSA-N 1 0 361.373 2.709 20 5 FFBDRO CC[N@H+](C)Cc1cc(O[C@H]2CCN(c3cc(C)c([N+](=O)[O-])cn3)C2)ccn1 ZINC000856533283 1007872485 /nfs/dbraw/zinc/87/24/85/1007872485.db2.gz COSNCSJZANQMKI-KRWDZBQOSA-N 1 0 371.441 2.803 20 5 FFBDRO CC[N@H+](C)Cc1cc(O[C@H]2CCN(c3ccc([N+](=O)[O-])c(C)n3)C2)ccn1 ZINC000856533271 1007873248 /nfs/dbraw/zinc/87/32/48/1007873248.db2.gz COCZSWMJNNGUPA-KRWDZBQOSA-N 1 0 371.441 2.803 20 5 FFBDRO COc1ccccc1N1CCC([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000818988765 1008001489 /nfs/dbraw/zinc/00/14/89/1008001489.db2.gz UDPMXGGFBBTVOC-IBGZPJMESA-N 1 0 371.437 2.895 20 5 FFBDRO CC(C)(C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCO2 ZINC000818984993 1008001750 /nfs/dbraw/zinc/00/17/50/1008001750.db2.gz KHRLHUWDEDOPRF-MRXNPFEDSA-N 1 0 358.394 2.924 20 5 FFBDRO CC[C@@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1nnc2n1CCCCC2 ZINC000819005253 1008006509 /nfs/dbraw/zinc/00/65/09/1008006509.db2.gz ZNTDINXMGYKOLB-CVEARBPZSA-N 1 0 359.430 2.687 20 5 FFBDRO COc1cccc(N2CC[C@@H](C[NH2+]C[C@H](O)c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000819003152 1008007226 /nfs/dbraw/zinc/00/72/26/1008007226.db2.gz SYAIFTWVUWCSBW-YWZLYKJASA-N 1 0 371.437 2.753 20 5 FFBDRO COc1ccc(C[C@H](C)[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000819034955 1008027818 /nfs/dbraw/zinc/02/78/18/1008027818.db2.gz SRERCSHBXBMFRY-GUYCJALGSA-N 1 0 360.410 2.866 20 5 FFBDRO CC(C)(C)OC(=O)N[C@@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000819198289 1008065215 /nfs/dbraw/zinc/06/52/15/1008065215.db2.gz QOMTXKPZJCRKIN-HOTGVXAUSA-N 1 0 365.430 2.521 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@H]2CCN(c3ccccc3F)C2)c1 ZINC000819325508 1008099727 /nfs/dbraw/zinc/09/97/27/1008099727.db2.gz FLILWJFFWDUQTL-IFXJQAMLSA-N 1 0 359.401 2.883 20 5 FFBDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819398512 1008116853 /nfs/dbraw/zinc/11/68/53/1008116853.db2.gz TYALVTNFNKRTPX-HXUWFJFHSA-N 1 0 370.453 2.801 20 5 FFBDRO O=C(N1CCC([C@H]2CCC[NH2+]2)CC1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857762850 1008203940 /nfs/dbraw/zinc/20/39/40/1008203940.db2.gz GDNXOHPSMIGPMO-OAHLLOKOSA-N 1 0 369.368 2.557 20 5 FFBDRO CCOc1cc(N2CC[NH+](C[C@H]3C[C@]34CCOC4)CC2)ccc1[N+](=O)[O-] ZINC000886181381 1008599169 /nfs/dbraw/zinc/59/91/69/1008599169.db2.gz KNPQAJGWPZSXOH-BEFAXECRSA-N 1 0 361.442 2.542 20 5 FFBDRO COC[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[C@H]1CCCOC1 ZINC000886787627 1008878331 /nfs/dbraw/zinc/87/83/31/1008878331.db2.gz YXGBDCMPARRVNL-KXBFYZLASA-N 1 0 363.458 2.595 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCC([N@H+]2CCOC[C@@H]2C)CC1 ZINC000823057588 1008887754 /nfs/dbraw/zinc/88/77/54/1008887754.db2.gz VHOLOOGLBKJUGY-AWEZNQCLSA-N 1 0 361.442 2.537 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2noc(CN3CCCC[C@]4(CC[NH2+]C4)C3)n2)c1 ZINC000886870234 1008908375 /nfs/dbraw/zinc/90/83/75/1008908375.db2.gz SZUQCNKRDZJFEU-GOSISDBHSA-N 1 0 357.414 2.610 20 5 FFBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887133315 1009045120 /nfs/dbraw/zinc/04/51/20/1009045120.db2.gz YNCVHUTUOFKZGX-GJZGRUSLSA-N 1 0 369.425 2.528 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000823559279 1009130057 /nfs/dbraw/zinc/13/00/57/1009130057.db2.gz UMMJZXVEDWLGDV-UHFFFAOYSA-N 1 0 361.442 2.539 20 5 FFBDRO CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000823811874 1009229486 /nfs/dbraw/zinc/22/94/86/1009229486.db2.gz CAROBVXNWFMYQH-DNVCBOLYSA-N 1 0 361.442 2.984 20 5 FFBDRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823938656 1009287643 /nfs/dbraw/zinc/28/76/43/1009287643.db2.gz LDEQXKRNGZNWSQ-UHFFFAOYSA-N 1 0 361.402 2.756 20 5 FFBDRO O=[N+]([O-])c1c(NCCc2ccccc2C(F)(F)F)ncnc1C1C[NH2+]C1 ZINC001171038876 1009289432 /nfs/dbraw/zinc/28/94/32/1009289432.db2.gz JIGCKNMLKBKTSC-UHFFFAOYSA-N 1 0 367.331 2.745 20 5 FFBDRO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000861984537 1009647928 /nfs/dbraw/zinc/64/79/28/1009647928.db2.gz GUEYPPLSBAZSRU-NXVVXOECSA-N 1 0 373.453 2.711 20 5 FFBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])cc2ccccc21)N1C[C@@H](C)O[C@@H](C)C1 ZINC000862142301 1009717181 /nfs/dbraw/zinc/71/71/81/1009717181.db2.gz XLQMXVDAAPOHSB-KFWWJZLASA-N 1 0 371.437 2.976 20 5 FFBDRO [NH3+]C[C@H]1COc2ccccc2N1c1nccc(Br)c1[N+](=O)[O-] ZINC001171395182 1009878582 /nfs/dbraw/zinc/87/85/82/1009878582.db2.gz YWVPMTIUGCCIEZ-VIFPVBQESA-N 1 0 365.187 2.610 20 5 FFBDRO [NH3+]C[C@@H]1COc2ccccc2N1c1cc([N+](=O)[O-])cc(Br)n1 ZINC001171400163 1010078708 /nfs/dbraw/zinc/07/87/08/1010078708.db2.gz LAGPIOTVIHTBDL-SNVBAGLBSA-N 1 0 365.187 2.610 20 5 FFBDRO Cc1c([N+](=O)[O-])cc(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)cc1[N+](=O)[O-] ZINC000863029188 1010085203 /nfs/dbraw/zinc/08/52/03/1010085203.db2.gz BDHNURBAOMKPGK-AWEZNQCLSA-N 1 0 362.386 2.558 20 5 FFBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC([NH2+]C2CCC2)CC1 ZINC000889829204 1010142979 /nfs/dbraw/zinc/14/29/79/1010142979.db2.gz JEABJYGETBUIOW-UHFFFAOYSA-N 1 0 356.426 2.752 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCc2cccc3c2OC(F)(F)O3)cc1 ZINC000863570416 1010257849 /nfs/dbraw/zinc/25/78/49/1010257849.db2.gz GQIJJHAIJYLMOK-AWEZNQCLSA-N 1 0 366.320 2.782 20 5 FFBDRO COc1ccc(CN2CC[C@H]2C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000863575681 1010260716 /nfs/dbraw/zinc/26/07/16/1010260716.db2.gz QNZIXYNWMWUCHV-AZUAARDMSA-N 1 0 371.437 2.501 20 5 FFBDRO C[C@@H]1[C@@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CCN1C(=O)OC(C)(C)C ZINC000863587170 1010263183 /nfs/dbraw/zinc/26/31/83/1010263183.db2.gz SSXRXTDLWLVZSD-KCXAZCMYSA-N 1 0 365.430 2.616 20 5 FFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCN2CCc3ccccc32)n1 ZINC000774141371 1010478147 /nfs/dbraw/zinc/47/81/47/1010478147.db2.gz CBKMNAIQDSZZQU-WMZOPIPTSA-N 1 0 355.442 2.927 20 5 FFBDRO CN(CC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)C(=O)OC(C)(C)C ZINC000774168033 1010499169 /nfs/dbraw/zinc/49/91/69/1010499169.db2.gz FKZLJYPEORUNIX-ZIAGYGMSSA-N 1 0 367.450 2.732 20 5 FFBDRO C[C@H](CNC(=O)Cc1cccc(F)c1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000864809494 1010586425 /nfs/dbraw/zinc/58/64/25/1010586425.db2.gz VUUXZKZYXRSXOK-CQSZACIVSA-N 1 0 371.412 2.839 20 5 FFBDRO CCOC(=O)Cc1ccc(N2CC[NH+](C3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000825567441 1010794195 /nfs/dbraw/zinc/79/41/95/1010794195.db2.gz YSNMHUYDXBGUNY-UHFFFAOYSA-N 1 0 361.442 2.765 20 5 FFBDRO Cc1ccc(C[NH2+]C2CCN(CC(=O)OC(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000865776464 1010859812 /nfs/dbraw/zinc/85/98/12/1010859812.db2.gz XBIPHECGKMPMFF-UHFFFAOYSA-N 1 0 363.458 2.799 20 5 FFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000866273979 1010967620 /nfs/dbraw/zinc/96/76/20/1010967620.db2.gz VJXYEHLRIOHQKY-CZUORRHYSA-N 1 0 361.421 2.657 20 5 FFBDRO Cc1ncccc1NC(=O)[C@H](C)[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866369110 1010985010 /nfs/dbraw/zinc/98/50/10/1010985010.db2.gz HFLSMNNUMWIEJU-YPMHNXCESA-N 1 0 360.389 2.985 20 5 FFBDRO C[C@@]([NH3+])(C(=O)NC[C@H]1SCCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000867944850 1011127810 /nfs/dbraw/zinc/12/78/10/1011127810.db2.gz KAQPSHIRYDWBIJ-MJGOQNOKSA-N 1 0 371.462 2.916 20 5 FFBDRO CC[N@H+](CCCC1CCC1)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001274950323 1011773362 /nfs/dbraw/zinc/77/33/62/1011773362.db2.gz LVADVAILHQQCQT-QZTJIDSGSA-N 1 0 351.491 2.792 20 5 FFBDRO O=C(C1CC1)N1CCC([NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172897626 1012072004 /nfs/dbraw/zinc/07/20/04/1012072004.db2.gz BIUDJXJLBAUJBP-QGZVFWFLSA-N 1 0 357.454 2.833 20 5 FFBDRO Cc1ncc(CO)c(C[NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)c1O ZINC001172901997 1012075047 /nfs/dbraw/zinc/07/50/47/1012075047.db2.gz SEYUELIQAOUNGB-INIZCTEOSA-N 1 0 357.410 2.533 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]Cc1ccccc1-n1cnnn1)CC2 ZINC001172901474 1012075676 /nfs/dbraw/zinc/07/56/76/1012075676.db2.gz IMUXWBCRKKUMPG-KRWDZBQOSA-N 1 0 364.409 2.608 20 5 FFBDRO CN(C)C(=O)N1CCC[C@H]([NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172903566 1012077940 /nfs/dbraw/zinc/07/79/40/1012077940.db2.gz RFKIFYWANPBNJM-SJORKVTESA-N 1 0 360.458 2.578 20 5 FFBDRO N=c1nc([C@H]2CCC[NH2+]2)ccn1[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172916851 1012098689 /nfs/dbraw/zinc/09/86/89/1012098689.db2.gz UGGJYZMMXFBDTL-NVXWUHKLSA-N 1 0 353.426 2.815 20 5 FFBDRO Cc1cc(N([C@H]2CC[NH2+]C2)[C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)ncn1 ZINC001172911420 1012122955 /nfs/dbraw/zinc/12/29/55/1012122955.db2.gz BMWBQYDQCOIKOP-HKUYNNGSSA-N 1 0 367.453 2.809 20 5 FFBDRO CN(C)C(=O)N[C@@H]1CCC[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172911749 1012126084 /nfs/dbraw/zinc/12/60/84/1012126084.db2.gz FQLZBYRIVNNLNU-SJORKVTESA-N 1 0 360.458 2.578 20 5 FFBDRO O=C1CCC([NH2+]C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)CC1 ZINC001173010923 1012181497 /nfs/dbraw/zinc/18/14/97/1012181497.db2.gz LWRGEZHIUYDNSA-UHFFFAOYSA-N 1 0 353.369 2.943 20 5 FFBDRO C[N@H+](C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1)[C@@H]1CCCOC1 ZINC001173020474 1012191360 /nfs/dbraw/zinc/19/13/60/1012191360.db2.gz SAPVSOLAVISIHO-CYBMUJFWSA-N 1 0 355.385 2.953 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]Cc2cnn(CCF)c2)c1F ZINC001173179972 1012322225 /nfs/dbraw/zinc/32/22/25/1012322225.db2.gz ODTLUNPWAPJFLO-LLVKDONJSA-N 1 0 354.357 2.629 20 5 FFBDRO COc1ccc(CC[NH2+][C@@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])cn1 ZINC001173187831 1012328218 /nfs/dbraw/zinc/32/82/18/1012328218.db2.gz HHHPBXJBACGVLN-LBPRGKRZSA-N 1 0 363.389 2.909 20 5 FFBDRO COC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C1 ZINC001173184585 1012329159 /nfs/dbraw/zinc/32/91/59/1012329159.db2.gz RNQIQTYFVVIKNO-TUAOUCFPSA-N 1 0 354.378 2.605 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]Cc2cncc(Cl)n2)c1F ZINC001173191945 1012334751 /nfs/dbraw/zinc/33/47/51/1012334751.db2.gz NXABOWBMRAAVLR-VIFPVBQESA-N 1 0 354.769 2.907 20 5 FFBDRO COC(=O)CC[N@H+]([C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-])C1CC1 ZINC001173193149 1012335885 /nfs/dbraw/zinc/33/58/85/1012335885.db2.gz QTXIHPLUFTYQDF-NSHDSACASA-N 1 0 354.378 2.701 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)n2c(=N)sc3c2CC[NH2+]C3)c1F ZINC001173195256 1012337568 /nfs/dbraw/zinc/33/75/68/1012337568.db2.gz DNEMFHNQAARPJC-SECBINFHSA-N 1 0 366.418 2.534 20 5 FFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1CN(c2ncnc3ccccc32)C1 ZINC001173223684 1012355452 /nfs/dbraw/zinc/35/54/52/1012355452.db2.gz KVGSANGGDVEZHQ-CQSZACIVSA-N 1 0 363.421 2.947 20 5 FFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(NC(=O)N2CCCC2)CC1 ZINC001173238121 1012386067 /nfs/dbraw/zinc/38/60/67/1012386067.db2.gz NKDHQIQKLBUTCV-OAHLLOKOSA-N 1 0 360.458 2.796 20 5 FFBDRO CCC1([NH+](C)C)CCN(C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)CC1 ZINC000870574578 1012465126 /nfs/dbraw/zinc/46/51/26/1012465126.db2.gz ZZIPGEKMOPTMKI-UHFFFAOYSA-N 1 0 366.437 2.746 20 5 FFBDRO COC(=O)Cc1ccc(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000828241253 1032636635 /nfs/dbraw/zinc/63/66/35/1032636635.db2.gz JBDRVFUOVMTRPI-AWEZNQCLSA-N 1 0 361.442 2.621 20 5 FFBDRO COC(=O)Cc1ccc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000828241254 1032636674 /nfs/dbraw/zinc/63/66/74/1032636674.db2.gz JBDRVFUOVMTRPI-CQSZACIVSA-N 1 0 361.442 2.621 20 5 FFBDRO O=[N+]([O-])c1ccc2[nH]cc(-c3nc(-c4ccc5c(n4)CC[NH2+]C5)no3)c2c1 ZINC001217223886 1032663903 /nfs/dbraw/zinc/66/39/03/1032663903.db2.gz KJZOPNRKSBHYCD-UHFFFAOYSA-N 1 0 362.349 2.834 20 5 FFBDRO CCc1ccc([C@H]([NH2+]CC[C@H]2CNC(=O)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000926978608 1018310038 /nfs/dbraw/zinc/31/00/38/1018310038.db2.gz IGJDCWUWCPCISZ-BFUOFWGJSA-N 1 0 357.410 2.955 20 5 FFBDRO CN(C)c1cc[nH+]c(CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1 ZINC000927711102 1018635505 /nfs/dbraw/zinc/63/55/05/1018635505.db2.gz KRPXHKHOXOUPPR-UHFFFAOYSA-N 1 0 369.425 2.586 20 5 FFBDRO COc1cc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)ccc1OCCO ZINC000801527141 1019078352 /nfs/dbraw/zinc/07/83/52/1019078352.db2.gz CJOQWHNLYLKBBE-GFCCVEGCSA-N 1 0 364.373 2.964 20 5 FFBDRO COC(=O)[C@]12C[N@H+](Cc3ccc(C(C)C)c([N+](=O)[O-])c3)C[C@H]1COCC2 ZINC000475566174 1019501485 /nfs/dbraw/zinc/50/14/85/1019501485.db2.gz NURMSNWODOCVSI-HNAYVOBHSA-N 1 0 362.426 2.730 20 5 FFBDRO C[C@H](CCNC(=O)c1cc([N+](=O)[O-])c(F)cc1N)[N@H+](C)Cc1ccccc1 ZINC000801914256 1019508142 /nfs/dbraw/zinc/50/81/42/1019508142.db2.gz VHUHBBBSBDOPQF-CYBMUJFWSA-N 1 0 374.416 2.957 20 5 FFBDRO COC(=O)/C(C)=C/C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000828806766 1032843718 /nfs/dbraw/zinc/84/37/18/1032843718.db2.gz DBXROCWSPMBIMD-QFIZVMTBSA-N 1 0 362.426 2.820 20 5 FFBDRO COC(=O)[C@H](C)C[N@H+](Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1)C1CC1 ZINC000777956830 1020330857 /nfs/dbraw/zinc/33/08/57/1020330857.db2.gz QXPCCVHMIYFGGW-CYBMUJFWSA-N 1 0 358.398 2.689 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](OC[C@@H]2C[C@@H]3CC[NH2+]C[C@@H]3O2)C(F)(F)F)cc1 ZINC001217916648 1032905957 /nfs/dbraw/zinc/90/59/57/1032905957.db2.gz JSZYJDUHVYINQO-MXAVVETBSA-N 1 0 360.332 2.982 20 5 FFBDRO COc1cc([C@H](C)[NH2+][C@@H]2CCCN(c3ncccn3)C2)cc([N+](=O)[O-])c1 ZINC000903072321 1020663234 /nfs/dbraw/zinc/66/32/34/1020663234.db2.gz IPBMVARQUCJQOC-DZGCQCFKSA-N 1 0 357.414 2.713 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H](c2ccn(C)n2)C1 ZINC000932134194 1020713860 /nfs/dbraw/zinc/71/38/60/1020713860.db2.gz HZFXSYJGUIJUFA-HNNXBMFYSA-N 1 0 371.441 2.845 20 5 FFBDRO COc1ccc(CN(C)C(=O)C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000932181678 1020734394 /nfs/dbraw/zinc/73/43/94/1020734394.db2.gz ZUAWAIBAGLPRKU-CQSZACIVSA-N 1 0 357.410 2.913 20 5 FFBDRO COc1cccc(COC[C@@H](O)C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000932181608 1020734820 /nfs/dbraw/zinc/73/48/20/1020734820.db2.gz XDOYRVVJPOKTJH-KDOFPFPSSA-N 1 0 360.410 2.832 20 5 FFBDRO CC[C@@H](NC(=O)CCN1CC[NH+](C(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000900967802 1020756176 /nfs/dbraw/zinc/75/61/76/1020756176.db2.gz MUUKLVRITLFNTM-GOSISDBHSA-N 1 0 362.474 2.578 20 5 FFBDRO O=[N+]([O-])c1ccc(O[C@H]2CCCC[NH2+]C2)cc1I ZINC001217970375 1032925732 /nfs/dbraw/zinc/92/57/32/1032925732.db2.gz MCBBBXVDIGRYSN-JTQLQIEISA-N 1 0 362.167 2.720 20 5 FFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCC2(CC1)C[C@H](O)CCO2 ZINC000933064755 1020947011 /nfs/dbraw/zinc/94/70/11/1020947011.db2.gz YFRLCRQRYNXOSX-QGZVFWFLSA-N 1 0 364.442 2.888 20 5 FFBDRO COc1ccc(OCC[NH+]2CCC(N(C)CC(F)F)CC2)c([N+](=O)[O-])c1 ZINC000749846785 1021060026 /nfs/dbraw/zinc/06/00/26/1021060026.db2.gz ONBSZRPDQFELKL-UHFFFAOYSA-N 1 0 373.400 2.644 20 5 FFBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC001116331449 1021168498 /nfs/dbraw/zinc/16/84/98/1021168498.db2.gz QDWCLFVZAMLKFT-FZKQIMNGSA-N 1 0 358.442 2.725 20 5 FFBDRO COc1ccc([C@@H]2CCC[N@@H+]2C[C@@H](O)COc2cccc([N+](=O)[O-])c2)nc1 ZINC000934344941 1021204511 /nfs/dbraw/zinc/20/45/11/1021204511.db2.gz IFFOIBUUSGZDKV-BEFAXECRSA-N 1 0 373.409 2.575 20 5 FFBDRO CCO[C@H]1COCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Br ZINC001116685163 1021353808 /nfs/dbraw/zinc/35/38/08/1021353808.db2.gz WIRHPVOBYBLWMF-KBPBESRZSA-N 1 0 359.220 2.641 20 5 FFBDRO Cc1cncc([N+](=O)[O-])c1NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC001116729471 1021380467 /nfs/dbraw/zinc/38/04/67/1021380467.db2.gz UBIRJTBONWWXCX-HZPDHXFCSA-N 1 0 370.453 2.941 20 5 FFBDRO C[C@@H]1C[C@H](Oc2ccc(I)cc2[N+](=O)[O-])CC[NH2+]1 ZINC001218061752 1032976012 /nfs/dbraw/zinc/97/60/12/1032976012.db2.gz QKTLMZPOQDYEQG-PSASIEDQSA-N 1 0 362.167 2.719 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001116906513 1021483778 /nfs/dbraw/zinc/48/37/78/1021483778.db2.gz LORGSAMBJVLJNT-HIFRSBDPSA-N 1 0 350.419 2.988 20 5 FFBDRO Cc1nc(O[C@@H]2CCC[C@@]23CC[NH2+]C3)c(Br)cc1[N+](=O)[O-] ZINC001218091834 1032991073 /nfs/dbraw/zinc/99/10/73/1032991073.db2.gz GRRUUBKMNLYSKP-OCCSQVGLSA-N 1 0 356.220 2.972 20 5 FFBDRO CC(C)(C)OC(=O)c1ccc([N+](=O)[O-])c(O[C@H]2CSC3(C[NH2+]C3)C2)c1 ZINC001218100859 1032992951 /nfs/dbraw/zinc/99/29/51/1032992951.db2.gz YFOHOYJSNHTZMH-GFCCVEGCSA-N 1 0 366.439 2.776 20 5 FFBDRO O=[N+]([O-])c1ccc(O[C@H]2CCC3(C[NH2+]C3)C2)cc1I ZINC001218234392 1033063519 /nfs/dbraw/zinc/06/35/19/1033063519.db2.gz GIBVBPAFSVRUNZ-JTQLQIEISA-N 1 0 374.178 2.720 20 5 FFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]CC[C@H]1CCCS1(=O)=O ZINC001119517117 1022831495 /nfs/dbraw/zinc/83/14/95/1022831495.db2.gz OSSBJGSIRLHLNP-GFCCVEGCSA-N 1 0 366.361 2.671 20 5 FFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(C1)CC[NH+](C/C=C/c1ccccc1)CC2 ZINC001040699206 1022954692 /nfs/dbraw/zinc/95/46/92/1022954692.db2.gz AGTHQEUJVQUOCH-LVLPYEQSSA-N 1 0 369.465 2.680 20 5 FFBDRO CN(Cc1cc(F)ccc1[N+](=O)[O-])C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188288123 1023049960 /nfs/dbraw/zinc/04/99/60/1023049960.db2.gz VINSKQQLSMJPRL-HXUWFJFHSA-N 1 0 373.428 2.803 20 5 FFBDRO CCN1CC[NH+](CCCCNC(=O)/C=C(/C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000752355751 1023126652 /nfs/dbraw/zinc/12/66/52/1023126652.db2.gz RUMAUHZLJYFEHC-MSUUIHNZSA-N 1 0 374.485 2.532 20 5 FFBDRO O=[N+]([O-])c1c2c(cc(Br)c1O[C@@H]1C[C@@H]3C[NH2+]C[C@H]13)CCC2 ZINC001218329645 1033108912 /nfs/dbraw/zinc/10/89/12/1033108912.db2.gz DIOWVJBDKHWNHG-SUZMYJTESA-N 1 0 353.216 2.833 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N3CCC[C@@]34CC[NH2+]C4)cc2[N+](=O)[O-])CC1 ZINC001122327166 1023191304 /nfs/dbraw/zinc/19/13/04/1023191304.db2.gz GLGCABOPNLLHPY-FQEVSTJZSA-N 1 0 372.469 2.799 20 5 FFBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC001120582663 1023370789 /nfs/dbraw/zinc/37/07/89/1023370789.db2.gz JYSNZKVDYUFMPG-MRXNPFEDSA-N 1 0 360.458 2.906 20 5 FFBDRO CC(C)[C@@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1nnc2ccccn21 ZINC000754192474 1023437543 /nfs/dbraw/zinc/43/75/43/1023437543.db2.gz WZGPCHULGXTFDM-NVXWUHKLSA-N 1 0 355.398 2.658 20 5 FFBDRO CCc1ccnc(C(=O)Nc2cc(N3CC[NH+](C)CC3)ccc2[N+](=O)[O-])c1 ZINC001121253623 1023671755 /nfs/dbraw/zinc/67/17/55/1023671755.db2.gz ZBPSLOCMVZKGES-UHFFFAOYSA-N 1 0 369.425 2.556 20 5 FFBDRO O=C(CCn1cc([N+](=O)[O-])cn1)OC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000077958238 1023711815 /nfs/dbraw/zinc/71/18/15/1023711815.db2.gz WTIWCLHWYSTDBU-KRWDZBQOSA-N 1 0 372.425 2.637 20 5 FFBDRO CN(C(=O)c1ccc(F)cc1[N+](=O)[O-])c1ccc(OCC[NH+](C)C)cc1 ZINC000757652718 1023843675 /nfs/dbraw/zinc/84/36/75/1023843675.db2.gz SRFWUFRALZYKAE-UHFFFAOYSA-N 1 0 361.373 2.951 20 5 FFBDRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3ccc([N+](=O)[O-])o3)n2CC)C1 ZINC001121791963 1024028755 /nfs/dbraw/zinc/02/87/55/1024028755.db2.gz PAUXPWDGTHNYMC-ZDUSSCGKSA-N 1 0 362.434 2.634 20 5 FFBDRO [NH3+][C@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC[C@H]1C(F)(F)F ZINC001122160013 1024395769 /nfs/dbraw/zinc/39/57/69/1024395769.db2.gz FAZHBIWXNMWJQY-MNOVXSKESA-N 1 0 351.712 2.600 20 5 FFBDRO CC(C)(C[NH2+]CC1CC(C)(C)C1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001101540501 1024885160 /nfs/dbraw/zinc/88/51/60/1024885160.db2.gz GYSBJANRXNODJH-IAGOWNOFSA-N 1 0 365.518 2.942 20 5 FFBDRO COc1cc(N)c([N+](=O)[O-])cc1C(=O)O[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000837667670 1025953959 /nfs/dbraw/zinc/95/39/59/1025953959.db2.gz ZLRHCAGEDHFLJK-CQSZACIVSA-N 1 0 371.393 2.617 20 5 FFBDRO O=C(c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638941847 1026095079 /nfs/dbraw/zinc/09/50/79/1026095079.db2.gz XPLMJYWZLLDZOP-BETUJISGSA-N 1 0 369.371 2.536 20 5 FFBDRO O=[N+]([O-])c1ccc(OCCC[NH+]2CCC([C@@H](O)c3ncc[nH]3)CC2)cc1 ZINC000839577504 1026743281 /nfs/dbraw/zinc/74/32/81/1026743281.db2.gz WBDKAMWGWJALMK-QGZVFWFLSA-N 1 0 360.414 2.532 20 5 FFBDRO COc1ccc(NC(=O)CC[NH2+]C(C)(C)C2CCOCC2)c([N+](=O)[O-])c1 ZINC000839586984 1026748261 /nfs/dbraw/zinc/74/82/61/1026748261.db2.gz ZHLNWAQDFLBZNO-UHFFFAOYSA-N 1 0 365.430 2.727 20 5 FFBDRO O=[N+]([O-])c1cn(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)nc1-c1ccncc1 ZINC000840113699 1026961597 /nfs/dbraw/zinc/96/15/97/1026961597.db2.gz CBQUNPLTBXKMRI-JZXOWHBKSA-N 1 0 371.441 2.826 20 5 FFBDRO Cc1nn(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)c2ncc([N+](=O)[O-])cc12 ZINC000840117175 1026964602 /nfs/dbraw/zinc/96/46/02/1026964602.db2.gz SKSGVOHMYIMWDP-USXIJHARSA-N 1 0 359.430 2.621 20 5 FFBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N(C)[C@H]3CC[NH2+]C3)cc2[N+](=O)[O-])C1 ZINC000247452193 1027068482 /nfs/dbraw/zinc/06/84/82/1027068482.db2.gz ZVUWWVRFRUVHMN-FMKPAKJESA-N 1 0 360.458 2.511 20 5 FFBDRO COC(=O)c1ccnc(NC2CC(C)(C)[NH+](C)C(C)(C)C2)c1[N+](=O)[O-] ZINC001159397851 1027376933 /nfs/dbraw/zinc/37/69/33/1027376933.db2.gz RNEATLJGPSYVAH-UHFFFAOYSA-N 1 0 350.419 2.840 20 5 FFBDRO COC(=O)c1cnc(N(CC[NH3+])C23CC4CC(CC(C4)C2)C3)c([N+](=O)[O-])c1 ZINC001159538485 1027425984 /nfs/dbraw/zinc/42/59/84/1027425984.db2.gz XBNRHIVTXAPHHP-UHFFFAOYSA-N 1 0 374.441 2.510 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(-n2cc(C[C@H](C)[NH3+])c3ccc(C)cc32)n1 ZINC001160011006 1027560098 /nfs/dbraw/zinc/56/00/98/1027560098.db2.gz CUDUEFHAOJOFQK-LBPRGKRZSA-N 1 0 368.393 2.918 20 5 FFBDRO CSc1nc(Cl)nc(N2c3ccccc3OC[C@@H]2C[NH3+])c1[N+](=O)[O-] ZINC001160201614 1027635285 /nfs/dbraw/zinc/63/52/85/1027635285.db2.gz YZPXYJYBVNVMRE-QMMMGPOBSA-N 1 0 367.818 2.618 20 5 FFBDRO [NH3+][C@H]1CC[C@H](N(c2ccncn2)c2cc([N+](=O)[O-])c3cc[nH]c3n2)CC1 ZINC001161365620 1028146818 /nfs/dbraw/zinc/14/68/18/1028146818.db2.gz LGMQIMPIPYXLCL-HAQNSBGRSA-N 1 0 353.386 2.669 20 5 FFBDRO Cc1ccc(C[NH+]2CCC3(CCN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])CC3)CC2)cc1 ZINC000957547558 1028324445 /nfs/dbraw/zinc/32/44/45/1028324445.db2.gz JAJMKFSQTFMSOA-RTBURBONSA-N 1 0 371.481 2.865 20 5 FFBDRO COc1ncnc(N[C@@H](c2cccc(F)c2)C2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001161822229 1028325943 /nfs/dbraw/zinc/32/59/43/1028325943.db2.gz PZHRLQFXVPCXBC-CQSZACIVSA-N 1 0 361.377 2.685 20 5 FFBDRO COc1cnc(N(Cc2ccncc2)[C@H]2CC[C@H]([NH3+])CC2)c([N+](=O)[O-])c1 ZINC001162195116 1028466560 /nfs/dbraw/zinc/46/65/60/1028466560.db2.gz KLHYASZCYZWNCL-SHTZXODSSA-N 1 0 357.414 2.670 20 5 FFBDRO [NH3+]Cc1nc2cnccc2n1-c1nc2ccccc2c(Cl)c1[N+](=O)[O-] ZINC001162215928 1028473045 /nfs/dbraw/zinc/47/30/45/1028473045.db2.gz VAGMOCTWSJUZEI-UHFFFAOYSA-N 1 0 354.757 2.989 20 5 FFBDRO O=[N+]([O-])c1cc(C(F)(F)n2cncc2C2CC[NH2+]CC2)cnc1Cl ZINC001155054401 1028560727 /nfs/dbraw/zinc/56/07/27/1028560727.db2.gz XOVZWSQJSROOBA-UHFFFAOYSA-N 1 0 357.748 2.904 20 5 FFBDRO O=[N+]([O-])c1cc(-c2ccc(N[C@@H]3C=C[C@H]4C[NH2+]C[C@@H]43)nn2)ccc1Cl ZINC001162801362 1028660945 /nfs/dbraw/zinc/66/09/45/1028660945.db2.gz IOWDEMUTJBNTQP-SLEUVZQESA-N 1 0 357.801 2.891 20 5 FFBDRO Cc1ccc(-c2nc3sccc3c(N[C@@H]3COC[C@@H]3[NH3+])n2)cc1[N+](=O)[O-] ZINC001155354367 1028690917 /nfs/dbraw/zinc/69/09/17/1028690917.db2.gz GHLKQJSCXMZHLC-QWHCGFSZSA-N 1 0 371.422 2.713 20 5 FFBDRO O=C(N[C@H]1c2ccccc2CC[C@@H]1[NH+]1CCCC1)c1cc([N+](=O)[O-])c[nH]1 ZINC001162881360 1028693288 /nfs/dbraw/zinc/69/32/88/1028693288.db2.gz WWDSTJVMLBOXJD-ROUUACIJSA-N 1 0 354.410 2.805 20 5 FFBDRO COc1ncnc(N[C@@H]2CC3(CC[NH2+]CC3)c3ccc(C)cc32)c1[N+](=O)[O-] ZINC001155436022 1028734396 /nfs/dbraw/zinc/73/43/96/1028734396.db2.gz BNFJABPPMZVRPU-OAHLLOKOSA-N 1 0 369.425 2.880 20 5 FFBDRO [NH3+]C[C@H](CO)c1ccc(Nc2cc3ncnc(Cl)c3cc2[N+](=O)[O-])cc1 ZINC001163053632 1028776334 /nfs/dbraw/zinc/77/63/34/1028776334.db2.gz SUXBRPINPSAMAX-LLVKDONJSA-N 1 0 373.800 2.970 20 5 FFBDRO O=[N+]([O-])c1cc(NC[C@@H]2OC[C@H]3C[NH2+]CC[C@H]32)ccc1OC(F)(F)F ZINC001163171752 1028831204 /nfs/dbraw/zinc/83/12/04/1028831204.db2.gz NWSGKTLNZLIEPG-UDZFHETQSA-N 1 0 361.320 2.530 20 5 FFBDRO O=C1C[C@@H]2[NH2+]CC[C@]2(Nc2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)N1 ZINC001163250303 1028855054 /nfs/dbraw/zinc/85/50/54/1028855054.db2.gz NCSSGQPKIONSRV-WMZOPIPTSA-N 1 0 370.434 2.736 20 5 FFBDRO O=[N+]([O-])c1cc(F)cc2ccc(NC[C@@H]3CO[C@]4(C3)CCC[NH2+]C4)nc21 ZINC001163279543 1028871357 /nfs/dbraw/zinc/87/13/57/1028871357.db2.gz NBMLATDFHNLTNX-XIKOKIGWSA-N 1 0 360.389 2.853 20 5 FFBDRO O=[N+]([O-])c1cc(F)cc(Br)c1N[C@@H]1CCO[C@]2(CC[NH2+]C2)C1 ZINC001163315602 1028889019 /nfs/dbraw/zinc/88/90/19/1028889019.db2.gz LPCICKNDXYBOAC-QMTHXVAHSA-N 1 0 374.210 2.819 20 5 FFBDRO Cc1cc(N[C@H]2CCO[C@@]3(CC[NH2+]C3)C2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001163317261 1028890442 /nfs/dbraw/zinc/89/04/42/1028890442.db2.gz UPCMBZIEUILPRS-KXBFYZLASA-N 1 0 369.425 2.683 20 5 FFBDRO O=[N+]([O-])c1ccc(Oc2ncc(N[C@@H]3CCO[C@]4(CC[NH2+]C4)C3)cn2)cc1 ZINC001163322212 1028893026 /nfs/dbraw/zinc/89/30/26/1028893026.db2.gz GYXHADHQNFESIP-FZKQIMNGSA-N 1 0 371.397 2.500 20 5 FFBDRO O=[N+]([O-])c1ccc(Oc2ncc(N[C@H]3CCO[C@@]4(CC[NH2+]C4)C3)cn2)cc1 ZINC001163322214 1028893500 /nfs/dbraw/zinc/89/35/00/1028893500.db2.gz GYXHADHQNFESIP-UGSOOPFHSA-N 1 0 371.397 2.500 20 5 FFBDRO C[NH2+]CCN(C)C(F)(F)c1cc(-c2ccc([N+](=O)[O-])cc2)nnc1Cl ZINC001163724018 1029041277 /nfs/dbraw/zinc/04/12/77/1029041277.db2.gz LTFQMKINEGQKAO-UHFFFAOYSA-N 1 0 371.775 2.906 20 5 FFBDRO O=[N+]([O-])c1cnc(-n2ccc3cc(N4CC[NH2+]CC4)ccc32)c(Cl)c1 ZINC001156205607 1029089451 /nfs/dbraw/zinc/08/94/51/1029089451.db2.gz GDOQZPVXMPVHHC-UHFFFAOYSA-N 1 0 357.801 2.997 20 5 FFBDRO O=[N+]([O-])c1cc(-n2ccc3cc(N4CC[NH2+]CC4)ccc32)nc2[nH]ccc21 ZINC001156216025 1029096367 /nfs/dbraw/zinc/09/63/67/1029096367.db2.gz ZCMHNTQMIVAFCQ-UHFFFAOYSA-N 1 0 362.393 2.825 20 5 FFBDRO Nc1cc(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)ncc1[N+](=O)[O-] ZINC001156317359 1029143735 /nfs/dbraw/zinc/14/37/35/1029143735.db2.gz LYJUSNZELZZLQZ-YQQAZPJKSA-N 1 0 353.426 2.895 20 5 FFBDRO CNC(=O)c1ccc(N2CC[NH2+][C@@H](c3ccc(Cl)cc3)C2)c([N+](=O)[O-])c1 ZINC001164400826 1029274443 /nfs/dbraw/zinc/27/44/43/1029274443.db2.gz NDWFWRFFRPQRMT-OAHLLOKOSA-N 1 0 374.828 2.759 20 5 FFBDRO C[C@H]1CC[C@]2(CC[N@H+](CN3CC(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)C2)C1 ZINC000781585734 1029289322 /nfs/dbraw/zinc/28/93/22/1029289322.db2.gz IAETVQPVCUYNON-LIRRHRJNSA-N 1 0 372.425 2.833 20 5 FFBDRO C[C@@H]1CC[C@]2(CC[N@H+](CN3CC(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)C2)C1 ZINC000781585732 1029290922 /nfs/dbraw/zinc/29/09/22/1029290922.db2.gz IAETVQPVCUYNON-KUHUBIRLSA-N 1 0 372.425 2.833 20 5 FFBDRO CC(C)c1ccc(C[NH2+]CC2(CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1 ZINC001164491039 1029298155 /nfs/dbraw/zinc/29/81/55/1029298155.db2.gz YDYSGJUUYIDVPK-QZTJIDSGSA-N 1 0 359.470 2.851 20 5 FFBDRO COc1cccc(N(c2nccc(Cl)c2[N+](=O)[O-])C2CC[NH2+]CC2)n1 ZINC001158053655 1029719207 /nfs/dbraw/zinc/71/92/07/1029719207.db2.gz DYCPIZHPVLCQML-UHFFFAOYSA-N 1 0 363.805 2.937 20 5 FFBDRO COc1cccc(N(c2cc(Cl)ncc2[N+](=O)[O-])C2CC[NH2+]CC2)n1 ZINC001158053934 1029720409 /nfs/dbraw/zinc/72/04/09/1029720409.db2.gz FUHMYMUJTFESMD-UHFFFAOYSA-N 1 0 363.805 2.937 20 5 FFBDRO CCN(c1nc(C(F)(F)F)nc(Cl)c1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC001158205022 1029755799 /nfs/dbraw/zinc/75/57/99/1029755799.db2.gz LESQPAOSIYVSQH-ZETCQYMHSA-N 1 0 353.732 2.635 20 5 FFBDRO C[N@H+](C1CN(c2ccc3c(ccc(Cl)c3[N+](=O)[O-])n2)C1)[C@@H]1CCOC1 ZINC001165205358 1029892951 /nfs/dbraw/zinc/89/29/51/1029892951.db2.gz JQPCXIPCIBJIBL-LLVKDONJSA-N 1 0 362.817 2.706 20 5 FFBDRO O=[N+]([O-])c1c[nH]c2ccc(N3CCC4(CC[NH2+]CC4)[C@H]3C(F)(F)F)nc21 ZINC001165266960 1029922168 /nfs/dbraw/zinc/92/21/68/1029922168.db2.gz XCADIHWQQQORQL-AWEZNQCLSA-N 1 0 369.347 2.982 20 5 FFBDRO O=[N+]([O-])c1ccc2nc(Cl)cc(N3CCO[C@@H]4C[NH2+]CC[C@@H]4C3)c2c1 ZINC001165293467 1029934129 /nfs/dbraw/zinc/93/41/29/1029934129.db2.gz YWUJHMCBAGHZND-BDJLRTHQSA-N 1 0 362.817 2.611 20 5 FFBDRO CC(C)(C)N(c1ncc(F)cc1[N+](=O)[O-])[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001165669840 1030075332 /nfs/dbraw/zinc/07/53/32/1030075332.db2.gz NLTMQMJBGLKHNA-CYBMUJFWSA-N 1 0 352.410 2.645 20 5 FFBDRO C/C(=C\C(=O)N1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000784082315 1030458185 /nfs/dbraw/zinc/45/81/85/1030458185.db2.gz HOMHOLSKAZKLEO-XWPOBMPPSA-N 1 0 373.453 2.708 20 5 FFBDRO CN(Cc1cccc(C(F)(F)F)c1)c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001166687703 1030479919 /nfs/dbraw/zinc/47/99/19/1030479919.db2.gz XBTZOFUFHFNASG-UHFFFAOYSA-N 1 0 367.331 2.727 20 5 FFBDRO Cc1ccc([C@H](C)NC(=O)NCc2ccc(CC[NH3+])cc2)cc1[N+](=O)[O-] ZINC000841852505 1030501866 /nfs/dbraw/zinc/50/18/66/1030501866.db2.gz LUXKEAUWQSVKJX-AWEZNQCLSA-N 1 0 356.426 2.965 20 5 FFBDRO O=C(CN1CC[NH2+]C[C@@H]1c1ccccc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000842479316 1030752315 /nfs/dbraw/zinc/75/23/15/1030752315.db2.gz ZBBXOWUIQQQAAH-QGZVFWFLSA-N 1 0 374.828 2.833 20 5 FFBDRO CC(C)C[N@@H+]1CCO[C@@H](COC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000796880918 1030942096 /nfs/dbraw/zinc/94/20/96/1030942096.db2.gz ACLJKYJPHCPPDS-OAHLLOKOSA-N 1 0 364.442 2.772 20 5 FFBDRO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)c1cc([N+](=O)[O-])cn1C ZINC000797080953 1030990958 /nfs/dbraw/zinc/99/09/58/1030990958.db2.gz KUCZCSNEEFIHMB-NVXWUHKLSA-N 1 0 354.410 2.690 20 5 FFBDRO CC(C)Oc1cccc([C@H](O)C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000843083494 1031178086 /nfs/dbraw/zinc/17/80/86/1031178086.db2.gz YCSUPEZDSDHLSS-RBUKOAKNSA-N 1 0 360.410 2.739 20 5 FFBDRO C[C@H](O)[C@@](C)(C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000843100974 1031183219 /nfs/dbraw/zinc/18/32/19/1031183219.db2.gz LEQVKOYUSZJGAG-CWFSZBLJSA-N 1 0 358.438 2.848 20 5 FFBDRO C[NH+]1CCC2(CCCN(c3ccc([N+](=O)[O-])cc3N3CCOC3=O)C2)CC1 ZINC000798405724 1031398441 /nfs/dbraw/zinc/39/84/41/1031398441.db2.gz ZWJOZJVDUFTQDK-UHFFFAOYSA-N 1 0 374.441 2.864 20 5 FFBDRO O=C(NCC1([NH2+]Cc2cc(F)cc(F)c2)CCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001115530500 1031787083 /nfs/dbraw/zinc/78/70/83/1031787083.db2.gz AIBLYODXYCFISI-HZPDHXFCSA-N 1 0 367.396 2.539 20 5 FFBDRO Cc1cc(C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCCCC2)c(C)s1 ZINC001115530822 1031788718 /nfs/dbraw/zinc/78/87/18/1031788718.db2.gz SZFBRBPPAXDQBM-HZPDHXFCSA-N 1 0 365.499 2.939 20 5 FFBDRO [NH3+][C@H](Cc1cccc(O)c1)C(=O)Nc1cc2cccnc2c2ncccc12 ZINC001218979118 1033441833 /nfs/dbraw/zinc/44/18/33/1033441833.db2.gz CZTUXZMNTYQAHO-QGZVFWFLSA-N 1 0 358.401 2.997 20 5 FFBDRO C[C@@H](CNC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC001223656040 1033539185 /nfs/dbraw/zinc/53/91/85/1033539185.db2.gz RLCVIWZHLLCWDX-UONOGXRCSA-N 1 0 350.463 2.974 20 5 FFBDRO C[N+](C)(C)C[C@H](O)CC(=O)OCc1nc2ccccc2n1-c1ccccc1 ZINC001223727421 1033564875 /nfs/dbraw/zinc/56/48/75/1033564875.db2.gz RNXGADGWVNQMNU-QGZVFWFLSA-N 1 0 368.457 2.526 20 5 FFBDRO O=[N+]([O-])c1ccc(COC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cn1 ZINC001224114244 1033724366 /nfs/dbraw/zinc/72/43/66/1033724366.db2.gz MSFWKTUINKCGTC-SFHVURJKSA-N 1 0 357.410 2.798 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])cc1OC1CCN(c2cc[nH+]cc2)CC1 ZINC001225450105 1034258477 /nfs/dbraw/zinc/25/84/77/1034258477.db2.gz FJYHZCYDYMSPPH-UHFFFAOYSA-N 1 0 357.366 2.824 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(OC[C@H]2CCC3(CC[NH+](C)CC3)O2)c([N+](=O)[O-])c1 ZINC001225596035 1034328366 /nfs/dbraw/zinc/32/83/66/1034328366.db2.gz PLMHCZHPCQHWHP-CYBMUJFWSA-N 1 0 365.386 2.834 20 5 FFBDRO O=[N+]([O-])c1cc(F)cc([N+](=O)[O-])c1O[C@H]1CC[C@@H]([NH+]2CCOCC2)CC1 ZINC001225894415 1034440820 /nfs/dbraw/zinc/44/08/20/1034440820.db2.gz IFZWFEYSDGIUDS-BETUJISGSA-N 1 0 369.349 2.664 20 5 FFBDRO COc1cc(OC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)ncc1[N+](=O)[O-] ZINC001226582040 1034746521 /nfs/dbraw/zinc/74/65/21/1034746521.db2.gz VBYJWQJWLFLZCK-INIZCTEOSA-N 1 0 373.409 2.668 20 5 FFBDRO O=C1C[C@H]2C[C@H](Oc3ccc([N+](=O)[O-])nc3)[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001226712895 1034800029 /nfs/dbraw/zinc/80/00/29/1034800029.db2.gz RIRYEXRLZBWYMR-QGTPRVQTSA-N 1 0 353.378 2.743 20 5 FFBDRO Cc1cnc(O[C@@H](C)[C@H]2CN(Cc3ccccc3)CCO2)c([N+](=O)[O-])c1 ZINC001227236012 1034980775 /nfs/dbraw/zinc/98/07/75/1034980775.db2.gz BEGRTOFDDXSIPR-MAUKXSAKSA-N 1 0 357.410 2.967 20 5 FFBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001161186245 1035045732 /nfs/dbraw/zinc/04/57/32/1035045732.db2.gz FYSCOXIRIGUGJE-AWEZNQCLSA-N 1 0 362.430 2.843 20 5 FFBDRO CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC001536194302 1069933985 /nfs/dbraw/zinc/93/39/85/1069933985.db2.gz IZVWJGMTCIXHLX-INIZCTEOSA-N 1 0 358.442 2.807 20 5 FFBDRO O=[N+]([O-])c1ccc(O[C@H]2CC[C@@H]([NH+]3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC001227468965 1035568016 /nfs/dbraw/zinc/56/80/16/1035568016.db2.gz MTUYHPOGKKTYJL-XBXGTLAGSA-N 1 0 351.359 2.525 20 5 FFBDRO COc1cc(O[C@H]2CCC[N@H+](C)C2)c2c(c1)oc1c(O)ccc(O)c1c2=O ZINC001227645977 1035653271 /nfs/dbraw/zinc/65/32/71/1035653271.db2.gz LTBPZXUKOKBYMT-NSHDSACASA-N 1 0 371.389 2.839 20 5 FFBDRO O=[N+]([O-])c1cnc(O[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c2[nH]cnc21 ZINC001227691030 1035674938 /nfs/dbraw/zinc/67/49/38/1035674938.db2.gz LWDSNJCECCRTHS-CQSZACIVSA-N 1 0 353.382 2.910 20 5 FFBDRO C[NH+]1CCC(Oc2ccc([N+](=O)[O-])c(I)c2)CC1 ZINC001227994216 1035859509 /nfs/dbraw/zinc/85/95/09/1035859509.db2.gz JQLCDKZVKNKDSO-UHFFFAOYSA-N 1 0 362.167 2.672 20 5 FFBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccccc1C(=O)CCc1ccccc1 ZINC001228146911 1035960780 /nfs/dbraw/zinc/96/07/80/1035960780.db2.gz ZPXGCQYCFZTIQF-GOSISDBHSA-N 1 0 370.469 2.865 20 5 FFBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC001203060362 1035962667 /nfs/dbraw/zinc/96/26/67/1035962667.db2.gz KMYNJJAIHDFVER-UHFFFAOYSA-N 1 0 361.446 2.639 20 5 FFBDRO CC[N@@H+]1CC[C@H](Oc2cc(I)ccc2[N+](=O)[O-])C1 ZINC001229153050 1036525728 /nfs/dbraw/zinc/52/57/28/1036525728.db2.gz ZCGBZQNGBWTPOQ-JTQLQIEISA-N 1 0 362.167 2.672 20 5 FFBDRO O=[N+]([O-])c1cccc(O[C@H]2COCCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC001233578573 1036685975 /nfs/dbraw/zinc/68/59/75/1036685975.db2.gz VCPCPJISLAYBCU-OAHLLOKOSA-N 1 0 373.365 2.783 20 5 FFBDRO CC[N@@H+]1CC[C@@H](Oc2cccc(I)c2[N+](=O)[O-])C1 ZINC001229656277 1036806155 /nfs/dbraw/zinc/80/61/55/1036806155.db2.gz ATISNDXGSOXZGY-SECBINFHSA-N 1 0 362.167 2.672 20 5 FFBDRO COc1c(C)cc([N+](=O)[O-])c(OC2CC[NH+](C3CC3)CC2)c1[N+](=O)[O-] ZINC001229868906 1036947854 /nfs/dbraw/zinc/94/78/54/1036947854.db2.gz OXKDTPPLNVEHLG-UHFFFAOYSA-N 1 0 351.359 2.826 20 5 FFBDRO C[C@H](C[N+](C)(C)C)Oc1cc2c(nn1)CCCN2C(=O)OC(C)(C)C ZINC001229871523 1036949713 /nfs/dbraw/zinc/94/97/13/1036949713.db2.gz WCWIGBQEFOGWJT-CYBMUJFWSA-N 1 0 351.471 2.638 20 5 FFBDRO CC(=O)O[C@@H]1C[C@@H]2C[C@H](Oc3cc(F)c(C)cc3[N+](=O)[O-])C[C@H]1[N@@H+]2C ZINC001229895625 1036966324 /nfs/dbraw/zinc/96/63/24/1036966324.db2.gz SPJWEFPYQIGLBU-CAVOSLQRSA-N 1 0 352.362 2.588 20 5 FFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1nnc(C2CCOCC2)[nH]1 ZINC001207083873 1037130444 /nfs/dbraw/zinc/13/04/44/1037130444.db2.gz TZHVADAJLFBQON-ZDUSSCGKSA-N 1 0 359.430 2.718 20 5 FFBDRO CC(=O)Nc1ccc(C(C)=O)c(O[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1[N+](=O)[O-] ZINC001234682845 1037138894 /nfs/dbraw/zinc/13/88/94/1037138894.db2.gz XNCKHQXKVVQMNG-BTTYYORXSA-N 1 0 361.398 2.760 20 5 FFBDRO CC(C)C[N@H+](C)CCCNC(=O)NC[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001230639071 1037326369 /nfs/dbraw/zinc/32/63/69/1037326369.db2.gz RENICGJYOLZVKR-OAHLLOKOSA-N 1 0 350.463 2.975 20 5 FFBDRO COCC[NH+]1CCC(Oc2ncc([N+](=O)[O-])c(C)c2Br)CC1 ZINC001231096238 1037466937 /nfs/dbraw/zinc/46/69/37/1037466937.db2.gz XOFIIGJNHXRAEW-UHFFFAOYSA-N 1 0 374.235 2.550 20 5 FFBDRO NC(=O)[C@@H]1C[N@H+](Cc2c3ccccc3c3cc4ccccc4oc2-3)CCN1 ZINC001235753654 1037725536 /nfs/dbraw/zinc/72/55/36/1037725536.db2.gz AGGUDZBZBBYQRL-IBGZPJMESA-N 1 0 359.429 2.950 20 5 FFBDRO COc1cc(N2CCC([N@@H+]3CC[C@@H](C)[C@H](O)CC3)CC2)ccc1[N+](=O)[O-] ZINC001256092916 1038377561 /nfs/dbraw/zinc/37/75/61/1038377561.db2.gz BAVBIQLQVUHDCF-RDTXWAMCSA-N 1 0 363.458 2.665 20 5 FFBDRO C[C@H]1C[NH+](CCc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C[C@H](C)O1 ZINC001258146659 1039225977 /nfs/dbraw/zinc/22/59/77/1039225977.db2.gz QOTPJYNUZDXFJK-QWRGUYRKSA-N 1 0 366.805 2.950 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CCC(F)(F)[C@@H](C[NH3+])C2)c1F ZINC001246561046 1039396732 /nfs/dbraw/zinc/39/67/32/1039396732.db2.gz VQQBHXBUPAKVSC-QWRGUYRKSA-N 1 0 361.364 2.589 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CC[C@]3(C2)CCCC[NH2+]3)c1F ZINC001246620636 1039418727 /nfs/dbraw/zinc/41/87/27/1039418727.db2.gz KVSSBDIDOVZXPG-UGSOOPFHSA-N 1 0 351.422 2.892 20 5 FFBDRO CC1(C)C[NH2+]CCN1C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001246812371 1039489766 /nfs/dbraw/zinc/48/97/66/1039489766.db2.gz ZGCMLDJEEPQQLU-UHFFFAOYSA-N 1 0 354.401 2.526 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CC[NH2+]C[C@H]2C(F)(F)F)c1F ZINC001246993456 1039567551 /nfs/dbraw/zinc/56/75/51/1039567551.db2.gz TWKCBTMPBISCID-ZANVPECISA-N 1 0 365.327 2.510 20 5 FFBDRO C[NH+]1CCC(n2cc(-n3c4ccccc4nc4cc(N)c(=O)cc3-4)cn2)CC1 ZINC001210760257 1039715091 /nfs/dbraw/zinc/71/50/91/1039715091.db2.gz SXJMMKTULSWEJV-UHFFFAOYSA-N 1 0 374.448 2.536 20 5 FFBDRO COc1ccc(-c2noc(C[C@@H]([NH3+])c3ccccc3[N+](=O)[O-])n2)c(OC)c1 ZINC001249342140 1040691653 /nfs/dbraw/zinc/69/16/53/1040691653.db2.gz JWIOSGSYGWXAHO-CQSZACIVSA-N 1 0 370.365 2.905 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CCC[C@](F)(CO)CC3)CC2)cc1 ZINC001254475020 1040743218 /nfs/dbraw/zinc/74/32/18/1040743218.db2.gz YGQWUYDVVMXKCA-GOSISDBHSA-N 1 0 351.422 2.750 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCN(C(=O)C(F)(F)F)C1 ZINC001254548144 1040790765 /nfs/dbraw/zinc/79/07/65/1040790765.db2.gz KLJSTDMBLYFCGH-DGCLKSJQSA-N 1 0 359.348 2.669 20 5 FFBDRO Cc1cc(N([C@H](C)Cc2ccccc2[N+](=O)[O-])C2CC[NH2+]CC2)ncn1 ZINC001254568001 1040806282 /nfs/dbraw/zinc/80/62/82/1040806282.db2.gz DYIMNGVXWXKCBX-OAHLLOKOSA-N 1 0 355.442 2.883 20 5 FFBDRO COc1cc(N2CC[NH+]([C@@H](C)Cc3ccccc3[N+](=O)[O-])CC2)ccn1 ZINC001254570667 1040808154 /nfs/dbraw/zinc/80/81/54/1040808154.db2.gz PLZIFKSQBVRWOQ-HNNXBMFYSA-N 1 0 356.426 2.752 20 5 FFBDRO CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](C[NH2+][C@H]3Cc4ccc([N+](=O)[O-])cc4C3)[C@@H]2C1 ZINC001254572067 1040808767 /nfs/dbraw/zinc/80/87/67/1040808767.db2.gz HTDXPVUAULMMPM-LEUOFYLZSA-N 1 0 373.453 2.765 20 5 FFBDRO O=C(C1CCC1)N1CCC(C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254580042 1040812920 /nfs/dbraw/zinc/81/29/20/1040812920.db2.gz ACKABQDAEXLZOW-SFHVURJKSA-N 1 0 357.454 2.690 20 5 FFBDRO COC(=O)CCc1ccc(C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC001254584753 1040816985 /nfs/dbraw/zinc/81/69/85/1040816985.db2.gz JMNCGWIWHFCQTC-GOSISDBHSA-N 1 0 354.406 2.957 20 5 FFBDRO CCOCc1cnc2n1CCN([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)[C@H]2C ZINC001254595656 1040825308 /nfs/dbraw/zinc/82/53/08/1040825308.db2.gz KLFKMXXMUXATJB-SUMWQHHRSA-N 1 0 356.426 2.872 20 5 FFBDRO CN(CC1C[NH+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1)C(=O)OC(C)(C)C ZINC001254595018 1040826081 /nfs/dbraw/zinc/82/60/81/1040826081.db2.gz UUYCRMAINORFPT-KRWDZBQOSA-N 1 0 361.442 2.861 20 5 FFBDRO COC[C@@H]1COCCC12CC[NH+]([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)CC2 ZINC001254597608 1040827594 /nfs/dbraw/zinc/82/75/94/1040827594.db2.gz WMFLOSOMCOYMBG-IEBWSBKVSA-N 1 0 360.454 2.827 20 5 FFBDRO CCOc1cccc(N2CC[NH+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC2)n1 ZINC001254609800 1040837556 /nfs/dbraw/zinc/83/75/56/1040837556.db2.gz YHQNRRVLPSFCTF-GOSISDBHSA-N 1 0 368.437 2.678 20 5 FFBDRO COc1cc(NCC(C)(C)N2CC[NH+](C)CC2)c(Cl)cc1[N+](=O)[O-] ZINC001261648029 1041348747 /nfs/dbraw/zinc/34/87/47/1041348747.db2.gz PTEAGDCQEUOCDI-UHFFFAOYSA-N 1 0 356.854 2.695 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@H](C)N2CCc3sccc3C2)n1 ZINC001264872601 1042828407 /nfs/dbraw/zinc/82/84/07/1042828407.db2.gz PLSWRFLGPIKFLU-LBPRGKRZSA-N 1 0 360.439 2.536 20 5 FFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N(CC[NH2+]Cc1ccsc1)Cc1ccccc1 ZINC001279304808 1042992238 /nfs/dbraw/zinc/99/22/38/1042992238.db2.gz QVGOODCOCYSSIN-IAGOWNOFSA-N 1 0 359.451 2.532 20 5 FFBDRO C[C@H]1CCC[N@@H+]1CCNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC001310506869 1043698818 /nfs/dbraw/zinc/69/88/18/1043698818.db2.gz IPTRAANRPGZYDQ-JTQLQIEISA-N 1 0 371.235 2.963 20 5 FFBDRO C[N@H+](CCNC(=O)Nc1ccc(N)c([N+](=O)[O-])c1)Cc1ccc(F)cc1 ZINC001310992644 1043777749 /nfs/dbraw/zinc/77/77/49/1043777749.db2.gz RPKATBKTLKTIFP-UHFFFAOYSA-N 1 0 361.377 2.570 20 5 FFBDRO Cc1cc(NC(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC001311321799 1043886152 /nfs/dbraw/zinc/88/61/52/1043886152.db2.gz ZLVKOYVOVBRJLX-ZIAGYGMSSA-N 1 0 350.419 2.524 20 5 FFBDRO C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC001318648760 1044788279 /nfs/dbraw/zinc/78/82/79/1044788279.db2.gz LPDOWGDJCJGRSX-KGLIPLIRSA-N 1 0 370.247 2.960 20 5 FFBDRO C[NH+](C)[C@H](CNC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)c1ccsc1 ZINC001318817777 1044893642 /nfs/dbraw/zinc/89/36/42/1044893642.db2.gz HBSNXQMFUAGCHK-MRXNPFEDSA-N 1 0 360.439 2.984 20 5 FFBDRO Cc1c(C(=O)N[C@H]2CCCC[C@H]2[NH+](C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC001318411553 1045294362 /nfs/dbraw/zinc/29/43/62/1045294362.db2.gz BOXMNVPYWFVSBJ-UONOGXRCSA-N 1 0 364.402 2.722 20 5 FFBDRO CC1(C)CC[N@H+](CCNC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC001539537145 1070654683 /nfs/dbraw/zinc/65/46/83/1070654683.db2.gz AKQAANONNKMOSC-UHFFFAOYSA-N 1 0 357.357 2.658 20 5 FFBDRO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC001320991022 1045507838 /nfs/dbraw/zinc/50/78/38/1045507838.db2.gz SQMMQHNRWZCJKV-ZIAGYGMSSA-N 1 0 357.813 2.919 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(C[NH2+][C@]2(CO)CCOC2)o1 ZINC001323843536 1045747457 /nfs/dbraw/zinc/74/74/57/1045747457.db2.gz CVEBCURCMJAPTC-INIZCTEOSA-N 1 0 352.774 2.749 20 5 FFBDRO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NC1CCN(c2cc[nH+]cc2)CC1 ZINC001539796913 1070701100 /nfs/dbraw/zinc/70/11/00/1070701100.db2.gz UKHKAGCGKLRRMG-UHFFFAOYSA-N 1 0 358.373 2.836 20 5 FFBDRO Cn1ccnc1C(=O)c1ccc(N[C@@H]2CCCC[C@H]2[NH+](C)C)c([N+](=O)[O-])c1 ZINC001322680133 1046177787 /nfs/dbraw/zinc/17/77/87/1046177787.db2.gz FKSWBGSVHJCWAV-GDBMZVCRSA-N 1 0 371.441 2.844 20 5 FFBDRO C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC001322682262 1046179761 /nfs/dbraw/zinc/17/97/61/1046179761.db2.gz ZVMIAMMMJPPDEH-CVEARBPZSA-N 1 0 360.458 2.798 20 5 FFBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CC[NH2+]CCC12CCC2 ZINC001331394785 1047911172 /nfs/dbraw/zinc/91/11/72/1047911172.db2.gz ZIQYRPNMVGFIMC-UHFFFAOYSA-N 1 0 367.833 2.762 20 5 FFBDRO COC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Br)C1CCOCC1 ZINC001327538331 1047939994 /nfs/dbraw/zinc/93/99/94/1047939994.db2.gz QKWWIYLKOUWPNU-HNNXBMFYSA-N 1 0 373.247 2.889 20 5 FFBDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001290240847 1047949280 /nfs/dbraw/zinc/94/92/80/1047949280.db2.gz KLFGMIHGYPRULY-AWEZNQCLSA-N 1 0 371.441 2.979 20 5 FFBDRO C[C@H](CNc1ncnc2c(Cl)cc([N+](=O)[O-])cc12)C[NH+]1CCOCC1 ZINC001328009206 1048134127 /nfs/dbraw/zinc/13/41/27/1048134127.db2.gz HCAAIVNMAXFGGB-LLVKDONJSA-N 1 0 365.821 2.572 20 5 FFBDRO O=C(CCc1cc(F)ccc1[N+](=O)[O-])NCC[N@@H+]1CCc2ccccc2C1 ZINC001290674109 1048298450 /nfs/dbraw/zinc/29/84/50/1048298450.db2.gz NVSWNXUNFQXXHH-UHFFFAOYSA-N 1 0 371.412 2.841 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]Cc2cccc(OCC(F)(F)F)n2)c1 ZINC001329144119 1048596431 /nfs/dbraw/zinc/59/64/31/1048596431.db2.gz ZGFJZAJLRFFBEI-CQSZACIVSA-N 1 0 371.315 2.754 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)c2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])[C@@H](C)C1 ZINC001333706605 1049066928 /nfs/dbraw/zinc/06/69/28/1049066928.db2.gz KAQGKDNDLBUIAW-ZFWWWQNUSA-N 1 0 358.442 2.613 20 5 FFBDRO COC(=O)c1cc(N2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)cc(C)c1[N+](=O)[O-] ZINC001333824754 1049134113 /nfs/dbraw/zinc/13/41/13/1049134113.db2.gz CGDJPCFNYBRWDW-RRFJBIMHSA-N 1 0 361.442 2.856 20 5 FFBDRO CC[NH+](CC)C1CCN(C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)CC1 ZINC001330564915 1049207363 /nfs/dbraw/zinc/20/73/63/1049207363.db2.gz SJYHNGFARDSVBJ-UHFFFAOYSA-N 1 0 366.437 2.746 20 5 FFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@]2(CCN(c3ccncc3[N+](=O)[O-])C2)O1 ZINC001330829257 1049350690 /nfs/dbraw/zinc/35/06/90/1049350690.db2.gz JRXKTHHIRXNDMR-OXQOHEQNSA-N 1 0 368.437 2.860 20 5 FFBDRO COCCN(CC1CC[NH+](C)CC1)C(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC001334295043 1049354282 /nfs/dbraw/zinc/35/42/82/1049354282.db2.gz XUJJYFNMKIQWRQ-UHFFFAOYSA-N 1 0 363.458 2.642 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(c3ccc([N+](=O)[O-])cc3N3CCOC3=O)C[C@H]2C1 ZINC001334337894 1049378216 /nfs/dbraw/zinc/37/82/16/1049378216.db2.gz VZKIONYTZVVLQV-RBSFLKMASA-N 1 0 374.441 2.718 20 5 FFBDRO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC001292879849 1049425484 /nfs/dbraw/zinc/42/54/84/1049425484.db2.gz CIYKVGCKPCIIBA-HOCLYGCPSA-N 1 0 372.425 2.511 20 5 FFBDRO CSc1ccc(C(=O)N2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC001341713135 1050334104 /nfs/dbraw/zinc/33/41/04/1050334104.db2.gz XUGUDSYEKCGWJA-UWVGGRQHSA-N 1 0 363.361 2.668 20 5 FFBDRO C[NH+](C)[C@H]1C[C@H](NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1(C)C ZINC001299820288 1050615074 /nfs/dbraw/zinc/61/50/74/1050615074.db2.gz DUCUUNNNJNXVGO-KBPBESRZSA-N 1 0 357.813 2.775 20 5 FFBDRO O=C(CCc1cc(F)ccc1[N+](=O)[O-])Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC001340629662 1051007191 /nfs/dbraw/zinc/00/71/91/1051007191.db2.gz GSPUEPWKDZWPFR-SFHVURJKSA-N 1 0 373.384 2.966 20 5 FFBDRO O=[N+]([O-])c1ccc(C(F)(F)c2nc([C@H]3C[NH+]4CCC3CC4)no2)cc1 ZINC001342549939 1051153489 /nfs/dbraw/zinc/15/34/89/1051153489.db2.gz NNVCJENAAKBRSO-ZDUSSCGKSA-N 1 0 350.325 2.927 20 5 FFBDRO COc1ccc(CC(=O)N2CCCC[C@@H]2C2(C[NH3+])CCC2)cc1[N+](=O)[O-] ZINC001342850224 1051458170 /nfs/dbraw/zinc/45/81/70/1051458170.db2.gz REJSZDKQTUHHNI-QGZVFWFLSA-N 1 0 361.442 2.656 20 5 FFBDRO C[C@@H]1[C@H](C)[NH2+]C[C@H](C)N1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001341145768 1051496157 /nfs/dbraw/zinc/49/61/57/1051496157.db2.gz RJLSLRGSABQCSK-SDDRHHMPSA-N 1 0 360.439 2.929 20 5 FFBDRO CCC[NH+]1CCC(N(C)c2nnc([C@@H](C)[N+](=O)[O-])n2CC(C)C)CC1 ZINC001342991859 1051608957 /nfs/dbraw/zinc/60/89/57/1051608957.db2.gz FGKVTZJYFPUWDT-CQSZACIVSA-N 1 0 352.483 2.582 20 5 FFBDRO Cc1nnc(N(C)CCc2ccccc2[N+](=O)[O-])n1C[C@H](C1CC1)[NH+](C)C ZINC001304796261 1051701342 /nfs/dbraw/zinc/70/13/42/1051701342.db2.gz AMGRXAWPJBNJFG-GOSISDBHSA-N 1 0 372.473 2.514 20 5 FFBDRO CC[NH+](CC)CC[C@H](C)NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC001305974141 1051983236 /nfs/dbraw/zinc/98/32/36/1051983236.db2.gz WTQZWPWGEKWZEQ-AWEZNQCLSA-N 1 0 374.441 2.758 20 5 FFBDRO Cn1c(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)ccc1[C@H]1CCCC[NH2+]1 ZINC001343256499 1052108390 /nfs/dbraw/zinc/10/83/90/1052108390.db2.gz DYATYKGXGMPDHY-MRXNPFEDSA-N 1 0 372.425 2.557 20 5 FFBDRO COc1cc(C(=O)N2CCC3(CCC[C@H]3C[NH3+])CC2)cc([N+](=O)[O-])c1C ZINC001343541732 1052294922 /nfs/dbraw/zinc/29/49/22/1052294922.db2.gz ZSIJRDIJKZPCIJ-HNNXBMFYSA-N 1 0 361.442 2.893 20 5 FFBDRO CC1(C)CO[C@@H](C[N@@H+]2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)C1 ZINC001307665655 1052332975 /nfs/dbraw/zinc/33/29/75/1052332975.db2.gz ZSKOHPAGJJIPRD-OAHLLOKOSA-N 1 0 373.457 2.798 20 5 FFBDRO CC[N@@H+]1CCCN(c2nnc(-c3ccc([N+](=O)[O-])o3)n2CC(C)C)CC1 ZINC001343632001 1052346686 /nfs/dbraw/zinc/34/66/86/1052346686.db2.gz UELOZPWINOQRJY-UHFFFAOYSA-N 1 0 362.434 2.634 20 5 FFBDRO C[C@H]([NH2+]C[C@@H](O)c1cc(Br)no1)c1ccc([N+](=O)[O-])cc1 ZINC001308066490 1052398219 /nfs/dbraw/zinc/39/82/19/1052398219.db2.gz AWKKEYIRTZLDLI-GZMMTYOYSA-N 1 0 356.176 2.730 20 5 FFBDRO O=C(N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC001345560413 1052511011 /nfs/dbraw/zinc/51/10/11/1052511011.db2.gz NZGDJXHWZOTQRH-LPHOPBHVSA-N 1 0 353.378 2.581 20 5 FFBDRO CC[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC001309172343 1052566664 /nfs/dbraw/zinc/56/66/64/1052566664.db2.gz BIZIWVOTPPLHGB-OAHLLOKOSA-N 1 0 369.487 2.754 20 5 FFBDRO C[C@@H]1C[N@H+](CCCNC(=O)c2cc([N+](=O)[O-])cc3ccccc32)CCCO1 ZINC001335188151 1053250601 /nfs/dbraw/zinc/25/06/01/1053250601.db2.gz NEXGPOHLISBHRW-OAHLLOKOSA-N 1 0 371.437 2.979 20 5 FFBDRO COc1ccc(CC[NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)cn1 ZINC001335329744 1053299674 /nfs/dbraw/zinc/29/96/74/1053299674.db2.gz NWICNQIMJJFABW-CYBMUJFWSA-N 1 0 358.398 2.548 20 5 FFBDRO CCc1csc([C@@H](C)[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])n1 ZINC001336034107 1053719963 /nfs/dbraw/zinc/71/99/63/1053719963.db2.gz DNZFGBOMECQTDN-DGCLKSJQSA-N 1 0 351.428 2.704 20 5 FFBDRO Cc1cc(N[C@@H](C)[C@@H]2C[N@H+](C)CCN2C)c(Br)cc1[N+](=O)[O-] ZINC001336725222 1054168580 /nfs/dbraw/zinc/16/85/80/1054168580.db2.gz CYGLARUHTFHICA-NHYWBVRUSA-N 1 0 371.279 2.712 20 5 FFBDRO O=C(NCC[N@@H+]1CCCOCC1)Nc1ccc([N+](=O)[O-])c2ccccc12 ZINC001347866173 1054397968 /nfs/dbraw/zinc/39/79/68/1054397968.db2.gz GXEUAANOBQNRQW-UHFFFAOYSA-N 1 0 358.398 2.592 20 5 FFBDRO COC(=O)/C=C/c1ccc(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)o1 ZINC000848877485 1055286773 /nfs/dbraw/zinc/28/67/73/1055286773.db2.gz SDUDRQYJNHUHEW-CMDGGOBGSA-N 1 0 371.393 2.696 20 5 FFBDRO Cc1cccc(C(=O)NCc2ccccc2N2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC001338558682 1055622633 /nfs/dbraw/zinc/62/26/33/1055622633.db2.gz VABBFVMTFXUPDH-UHFFFAOYSA-N 1 0 368.437 2.585 20 5 FFBDRO CCc1cc(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)c2cc([N+](=O)[O-])ccc2n1 ZINC001357970467 1056084870 /nfs/dbraw/zinc/08/48/70/1056084870.db2.gz WAWODVMSIOUFOK-SFHVURJKSA-N 1 0 356.426 2.939 20 5 FFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)c1 ZINC001358118033 1056146906 /nfs/dbraw/zinc/14/69/06/1056146906.db2.gz CEZGPRDFKNOMAX-QWRGUYRKSA-N 1 0 363.361 2.668 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC001353176942 1056154763 /nfs/dbraw/zinc/15/47/63/1056154763.db2.gz ZZIJRBFGUDDSDT-LJQANCHMSA-N 1 0 354.410 2.749 20 5 FFBDRO Cc1cccc(C(=O)N[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1[N+](=O)[O-] ZINC001358495055 1056337552 /nfs/dbraw/zinc/33/75/52/1056337552.db2.gz VNXTVHXHHNLGKQ-OXJNMPFZSA-N 1 0 367.405 2.889 20 5 FFBDRO CCN(c1nnc(C[N+](=O)[O-])n1CC)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001339454016 1056468982 /nfs/dbraw/zinc/46/89/82/1056468982.db2.gz FYQHAQQLYLLUFW-NVXWUHKLSA-N 1 0 372.473 2.737 20 5 FFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([NH2+]C/C=C/c2ccc(Cl)cc2)CC1 ZINC001200471095 1058297385 /nfs/dbraw/zinc/29/73/85/1058297385.db2.gz DIIDKMQQPMKQRQ-KBXQFXQKSA-N 1 0 363.845 2.599 20 5 FFBDRO CC(C)[N@@H+]1CCC[C@H](NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC001447426808 1058642582 /nfs/dbraw/zinc/64/25/82/1058642582.db2.gz JBYIYKGJVQYCTI-HNNXBMFYSA-N 1 0 371.441 2.598 20 5 FFBDRO Cc1ccccc1[C@H]([C@H](C)NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl)[NH+](C)C ZINC001447827705 1058712825 /nfs/dbraw/zinc/71/28/25/1058712825.db2.gz ZCIYLERDIAFIGS-HZMBPMFUSA-N 1 0 365.821 2.701 20 5 FFBDRO Cc1ccc(CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)cc1[N+](=O)[O-] ZINC001200704259 1059151078 /nfs/dbraw/zinc/15/10/78/1059151078.db2.gz SCUNSGSORUPPDI-UXHICEINSA-N 1 0 369.465 2.876 20 5 FFBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001454581661 1059571036 /nfs/dbraw/zinc/57/10/36/1059571036.db2.gz YKOYALITGUSNBE-INIZCTEOSA-N 1 0 365.389 2.998 20 5 FFBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC001454633559 1059588991 /nfs/dbraw/zinc/58/89/91/1059588991.db2.gz KFDDQRVMLJCEMH-GOEBONIOSA-N 1 0 368.437 2.675 20 5 FFBDRO CC1CC[NH+](CC[C@@H]2CCCN2C(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC001454755075 1059622864 /nfs/dbraw/zinc/62/28/64/1059622864.db2.gz YMSYSAHCPLYUTL-HNNXBMFYSA-N 1 0 360.458 2.904 20 5 FFBDRO CCn1c([C@@H](C)[N+](=O)[O-])nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001520819757 1060113106 /nfs/dbraw/zinc/11/31/06/1060113106.db2.gz AYHCFEAWOTXSKW-CVEARBPZSA-N 1 0 364.494 2.728 20 5 FFBDRO O=C(NC1CC[NH+](CC2CC2)CC1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848581222 1060309440 /nfs/dbraw/zinc/30/94/40/1060309440.db2.gz MRNXWDYJROKORP-UHFFFAOYSA-N 1 0 369.368 2.557 20 5 FFBDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)C(F)(F)Oc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000848591733 1060325465 /nfs/dbraw/zinc/32/54/65/1060325465.db2.gz XILPTXBHYHAMAU-MRXNPFEDSA-N 1 0 369.368 2.511 20 5 FFBDRO O=C(N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1cc(F)cc([N+](=O)[O-])c1 ZINC001355545763 1060345694 /nfs/dbraw/zinc/34/56/94/1060345694.db2.gz DMCSWZWVFHIWGB-VQIMIIECSA-N 1 0 371.368 2.720 20 5 FFBDRO CCC[N@@H+]1CC[C@@H](CNc2c3cc([N+](=O)[O-])ccc3ncc2[N+](=O)[O-])C1 ZINC001458135730 1060522196 /nfs/dbraw/zinc/52/21/96/1060522196.db2.gz XUCVCJLSLSYXSU-LBPRGKRZSA-N 1 0 359.386 2.617 20 5 FFBDRO CNC(=O)c1ccc(N(CC(C)C)CC2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC001458541851 1060617723 /nfs/dbraw/zinc/61/77/23/1060617723.db2.gz ADJKLEVVPMODIW-UHFFFAOYSA-N 1 0 362.474 2.759 20 5 FFBDRO O=[N+]([O-])c1cccc([N+](=O)[O-])c1NC[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC001458598422 1060633019 /nfs/dbraw/zinc/63/30/19/1060633019.db2.gz FEESTUFWJLRSJA-KBPBESRZSA-N 1 0 364.402 2.806 20 5 FFBDRO CCC(=O)c1ccc(N2CCC[C@@H](N3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000848795511 1060715510 /nfs/dbraw/zinc/71/55/10/1060715510.db2.gz IPJNYZWSPKYNPM-MRXNPFEDSA-N 1 0 361.442 2.879 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](CN(C)Cc1ccccc1)C(C)C ZINC001460001132 1060871513 /nfs/dbraw/zinc/87/15/13/1060871513.db2.gz ZHZWLJPLGGOZSU-GOSISDBHSA-N 1 0 359.474 2.846 20 5 FFBDRO CC[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@H]1CCN(CC(F)(F)F)C1 ZINC001460544269 1061013334 /nfs/dbraw/zinc/01/33/34/1061013334.db2.gz VGKMEVAHYDJFNB-ZDUSSCGKSA-N 1 0 361.364 2.932 20 5 FFBDRO O=C(C[NH2+][C@@H]1CCc2c1cccc2F)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001460796417 1061106900 /nfs/dbraw/zinc/10/69/00/1061106900.db2.gz RJCDUOPMCCJYRS-QGZVFWFLSA-N 1 0 355.369 2.900 20 5 FFBDRO COc1ccc(NC(=O)C[NH2+][C@@H](c2ccncc2)C2CC2)c([N+](=O)[O-])c1 ZINC001460908526 1061145810 /nfs/dbraw/zinc/14/58/10/1061145810.db2.gz GCEQDXHFWGLXNA-GOSISDBHSA-N 1 0 356.382 2.678 20 5 FFBDRO CC1([NH+]2CCCC2)CCC(NS(=O)(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC001475693315 1061211066 /nfs/dbraw/zinc/21/10/66/1061211066.db2.gz ZTRISJGAUGKCNN-UHFFFAOYSA-N 1 0 373.500 2.732 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]Cc1ccc(-c2nncnn2)cc1 ZINC001461615623 1061361390 /nfs/dbraw/zinc/36/13/90/1061361390.db2.gz RUWWDEUBJRUQNN-UHFFFAOYSA-N 1 0 350.382 2.748 20 5 FFBDRO CN(C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC001476363684 1061399177 /nfs/dbraw/zinc/39/91/77/1061399177.db2.gz QNGDZTKDZPSKRA-UHFFFAOYSA-N 1 0 371.235 2.915 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+]C[C@@H]2OCc3ccccc32)cc1[N+](=O)[O-] ZINC001461818899 1061414550 /nfs/dbraw/zinc/41/45/50/1061414550.db2.gz FIEDLCWKHWVOBT-SFHVURJKSA-N 1 0 372.377 2.508 20 5 FFBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]CCC(F)F)c1 ZINC001461822772 1061417015 /nfs/dbraw/zinc/41/70/15/1061417015.db2.gz YWGSPWVEFMAMBO-UHFFFAOYSA-N 1 0 356.110 2.944 20 5 FFBDRO C[C@@H](C[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)CC1(C)OCCO1 ZINC001462504924 1061651968 /nfs/dbraw/zinc/65/19/68/1061651968.db2.gz RKQHQAKUOMRXST-KGLIPLIRSA-N 1 0 365.430 2.691 20 5 FFBDRO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1)CC(C)C ZINC001463308991 1062046822 /nfs/dbraw/zinc/04/68/22/1062046822.db2.gz OZHQNMZFXXZJCT-OAHLLOKOSA-N 1 0 371.503 2.938 20 5 FFBDRO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC001522543942 1062208880 /nfs/dbraw/zinc/20/88/80/1062208880.db2.gz KGLUFLKQGDJBBF-MNOVXSKESA-N 1 0 371.387 2.545 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)Nc2cccc(OCCC[NH+](C)C)c2)n1 ZINC001435178588 1062410602 /nfs/dbraw/zinc/41/06/02/1062410602.db2.gz IXCFUQDGLKBJOG-UHFFFAOYSA-N 1 0 358.398 2.881 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)n1 ZINC001436715827 1062772042 /nfs/dbraw/zinc/77/20/42/1062772042.db2.gz MPOISVSYLHSZMA-UHFFFAOYSA-N 1 0 374.363 2.787 20 5 FFBDRO CC[NH+]1CCN(c2cc(N(C)C(=O)/C=C/SC)cc([N+](=O)[O-])c2)CC1 ZINC001531640318 1062833574 /nfs/dbraw/zinc/83/35/74/1062833574.db2.gz FESMTTAFUQTQRZ-BJMVGYQFSA-N 1 0 364.471 2.576 20 5 FFBDRO Cc1cccc(Cl)c1C[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC1 ZINC001479869148 1063011981 /nfs/dbraw/zinc/01/19/81/1063011981.db2.gz SNFCDTAZDUWYOQ-RHSMWYFYSA-N 1 0 365.861 2.784 20 5 FFBDRO C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2N)CC[N@@H+]1Cc1ccccc1 ZINC001465619774 1063156924 /nfs/dbraw/zinc/15/69/24/1063156924.db2.gz AAQULNOJVCOACW-ZBFHGGJFSA-N 1 0 368.437 2.960 20 5 FFBDRO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Nc3ccc([N+](=O)[O-])c4ccncc34)[C@@H]2C1 ZINC001467071003 1063629055 /nfs/dbraw/zinc/62/90/55/1063629055.db2.gz ZURZCCPDJRVEFR-SGIREYDYSA-N 1 0 355.398 2.605 20 5 FFBDRO C[N@@H+]1CCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C[C@@H]1C(C)(C)C ZINC001469614175 1064179818 /nfs/dbraw/zinc/17/98/18/1064179818.db2.gz ACBCGURCNXNVSP-QGZVFWFLSA-N 1 0 371.441 2.583 20 5 FFBDRO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])cn1C ZINC001470779882 1064449581 /nfs/dbraw/zinc/44/95/81/1064449581.db2.gz JWCBVQSDJMIVMU-YOEHRIQHSA-N 1 0 356.426 2.574 20 5 FFBDRO C[C@H](C[NH2+]Cc1cccc(F)c1-c1nn[nH]n1)c1ccccc1[N+](=O)[O-] ZINC001575115101 1078108305 /nfs/dbraw/zinc/10/83/05/1078108305.db2.gz UNHQQTJHAKTMLS-LLVKDONJSA-N 1 0 356.361 2.807 20 5 FFBDRO Cc1cc(NC[C@@H]2CCCC[N@@H+](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001472831847 1065153976 /nfs/dbraw/zinc/15/39/76/1065153976.db2.gz URFOTXRBQBYDTH-HNNXBMFYSA-N 1 0 355.442 2.926 20 5 FFBDRO CC1(C)CCC[C@H]([NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001473994294 1065436109 /nfs/dbraw/zinc/43/61/09/1065436109.db2.gz XOEKQXXDWLQJCJ-AWEZNQCLSA-N 1 0 369.487 2.822 20 5 FFBDRO COc1ccc(C[NH2+][C@@H]2C[C@H](C)N(c3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC001474025257 1065440991 /nfs/dbraw/zinc/44/09/91/1065440991.db2.gz YPBWYYBJUIACGU-XJKSGUPXSA-N 1 0 355.394 2.887 20 5 FFBDRO CCC[C@@H](C[NH+]1CCN(c2ccc([N+](=O)[O-])c(OCC)c2)CC1)OC ZINC001474492086 1065535209 /nfs/dbraw/zinc/53/52/09/1065535209.db2.gz WNMKDKNDIPDSID-INIZCTEOSA-N 1 0 351.447 2.931 20 5 FFBDRO COC(=O)[C@@]1(C[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCOC1 ZINC001474758789 1065598428 /nfs/dbraw/zinc/59/84/28/1065598428.db2.gz RQICXFWYFLWTNR-CQSZACIVSA-N 1 0 363.197 2.571 20 5 FFBDRO C[C@H]1[NH2+]CCN(C(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)[C@H]1C ZINC001576893249 1078284722 /nfs/dbraw/zinc/28/47/22/1078284722.db2.gz FEPLVHKWIHDOPK-RQJHMYQMSA-N 1 0 350.177 2.863 20 5 FFBDRO CCc1cc(NC(=O)[C@H]2CC[C@@H](C3CC3)[NH2+]2)c2cc([N+](=O)[O-])ccc2n1 ZINC001578247840 1078454793 /nfs/dbraw/zinc/45/47/93/1078454793.db2.gz BCCNYGQDZUNYPC-DOTOQJQBSA-N 1 0 354.410 2.596 20 5 FFBDRO COc1ccc([C@H](C[NH3+])Cn2cc([N+](=O)[O-])c(=O)c3ccccc32)cc1 ZINC001579193516 1078585615 /nfs/dbraw/zinc/58/56/15/1078585615.db2.gz FGOXTQYABSWVSQ-CQSZACIVSA-N 1 0 353.378 2.661 20 5 FFBDRO COc1cccc(C[C@@H]([NH3+])C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC001579273149 1078606578 /nfs/dbraw/zinc/60/65/78/1078606578.db2.gz ONNHTBQHSRLVJB-CXAGYDPISA-N 1 0 357.410 2.659 20 5 FFBDRO Cc1nc(NC(=O)c2ccc3c(ccn3CCC[NH3+])c2)ccc1[N+](=O)[O-] ZINC001579865504 1078701351 /nfs/dbraw/zinc/70/13/51/1078701351.db2.gz YPQUXDUXHQRINV-UHFFFAOYSA-N 1 0 353.382 2.854 20 5 FFBDRO [NH3+]C[C@@]12CC[C@H]1CCCN2C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC001580250963 1078775105 /nfs/dbraw/zinc/77/51/05/1078775105.db2.gz XYKXQTYTQRSELD-BZNIZROVSA-N 1 0 355.341 2.540 20 5 FFBDRO [NH3+]C[C@]12CN(C(=O)C3(c4ccc([N+](=O)[O-])cc4)CCC3)C[C@@H]1CCCC2 ZINC001580253842 1078776091 /nfs/dbraw/zinc/77/60/91/1078776091.db2.gz TVVIJJFKTIZLFQ-QFBILLFUSA-N 1 0 357.454 2.994 20 5 FFBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC2(CC[NH2+]CC2)CC1 ZINC001580566047 1078827818 /nfs/dbraw/zinc/82/78/18/1078827818.db2.gz IIQUYFHBWYKZFA-UHFFFAOYSA-N 1 0 356.426 2.611 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2nnc(N3CCCC3)n2CC[NH+]2CCCCC2)c1 ZINC001556038288 1075694119 /nfs/dbraw/zinc/69/41/19/1075694119.db2.gz DLPZJXRXBNUNIE-UHFFFAOYSA-N 1 0 370.457 2.939 20 5 FFBDRO C[N@@H+]1C[C@@]2(C)CN(C(=O)C3(c4ccc([N+](=O)[O-])cc4)CCC3)C[C@@]2(C)C1 ZINC001557740846 1075882662 /nfs/dbraw/zinc/88/26/62/1075882662.db2.gz CVPYQSZHNXMPHO-KDURUIRLSA-N 1 0 357.454 2.817 20 5 FFBDRO CCOc1ccc(C(=O)N2CC[NH2+][C@H](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC001557864136 1075901988 /nfs/dbraw/zinc/90/19/88/1075901988.db2.gz DKRNQKYULHXIRT-QGZVFWFLSA-N 1 0 369.421 2.650 20 5 FFBDRO C[C@@H]1CN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC[N@@H+]1C1CCCC1 ZINC001559280884 1076145444 /nfs/dbraw/zinc/14/54/44/1076145444.db2.gz YYMLLRHYRSFPIJ-CYBMUJFWSA-N 1 0 358.442 2.933 20 5 FFBDRO C[C@@H]1C[N@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC(C)(C)C1 ZINC001559675384 1076181681 /nfs/dbraw/zinc/18/16/81/1076181681.db2.gz HPDIIEULWPZAJR-INIZCTEOSA-N 1 0 374.485 2.611 20 5 FFBDRO C[C@]1(Br)C[C@H]1C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001560695801 1076292594 /nfs/dbraw/zinc/29/25/94/1076292594.db2.gz VEKDDOZUVLGXGT-WFASDCNBSA-N 1 0 354.248 2.890 20 5 FFBDRO COc1c(O)ccc(CN(CCc2ccccc2)CC[NH+](C)C)c1[N+](=O)[O-] ZINC001560816162 1076301206 /nfs/dbraw/zinc/30/12/06/1076301206.db2.gz GVVHAJODWURDFY-UHFFFAOYSA-N 1 0 373.453 2.915 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC001561699924 1076409338 /nfs/dbraw/zinc/40/93/38/1076409338.db2.gz GBWWIQGQLYTJAI-HZPDHXFCSA-N 1 0 367.471 2.507 20 5 FFBDRO CCOc1cc(C(=O)N[C@H]2CCC[N@@H+](C(C)C)C2)c([N+](=O)[O-])cc1OC ZINC001567354557 1077020490 /nfs/dbraw/zinc/02/04/90/1077020490.db2.gz FBGUMFYXYRXJJN-ZDUSSCGKSA-N 1 0 365.430 2.605 20 5 FFBDRO CC(C)[N@@H+]1CCC[C@H](NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC001567356437 1077021348 /nfs/dbraw/zinc/02/13/48/1077021348.db2.gz VYNUYBDQCYLGAZ-ZDUSSCGKSA-N 1 0 370.247 2.960 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)n1 ZINC001568116870 1077072220 /nfs/dbraw/zinc/07/22/20/1077072220.db2.gz HJPQOHUHZVAWTB-INIZCTEOSA-N 1 0 362.817 2.984 20 5 FFBDRO C[NH+](C)[C@H]1C[C@@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC001585891949 1079510144 /nfs/dbraw/zinc/51/01/44/1079510144.db2.gz REQXRKATNKFNOB-SJORKVTESA-N 1 0 360.458 2.776 20 5 FFBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC001590188071 1081077293 /nfs/dbraw/zinc/07/72/93/1081077293.db2.gz PRDVKQCJBVROLQ-FRRDWIJNSA-N 1 0 359.434 2.553 20 5 FFBDRO C[C@H]1CN(C(C)(C)CNc2nc3sccn3c2[N+](=O)[O-])C[C@H](C)O1 ZINC000115415176 210169312 /nfs/dbraw/zinc/16/93/12/210169312.db2.gz KHNNQCPDGFBAON-QWRGUYRKSA-N 1 0 353.448 2.604 20 5 FFBDRO CC(C)CC[N@@H+]1Cc2cccc(NC(=O)Cn3ccc([N+](=O)[O-])n3)c2C1 ZINC000102733425 250121004 /nfs/dbraw/zinc/12/10/04/250121004.db2.gz ZSMWNWFCGNYIJZ-UHFFFAOYSA-N 1 0 357.414 2.792 20 5 FFBDRO Cc1c(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c(=O)n(-c2ccccc2)n1C ZINC000105448265 250214409 /nfs/dbraw/zinc/21/44/09/250214409.db2.gz RAEHSXBFNXMIPQ-UHFFFAOYSA-N 1 0 366.421 2.725 20 5 FFBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000105327881 250209152 /nfs/dbraw/zinc/20/91/52/250209152.db2.gz ZFHGJICRFAOWBH-CQSZACIVSA-N 1 0 360.439 2.885 20 5 FFBDRO COc1cc(C(=O)N(CC[NH+](C)C)Cc2cccc(O)c2)ccc1[N+](=O)[O-] ZINC000153293515 251122422 /nfs/dbraw/zinc/12/24/22/251122422.db2.gz FXCFJCIVYPBSAQ-UHFFFAOYSA-N 1 0 373.409 2.513 20 5 FFBDRO C[C@@H](CCNC(=O)c1c(N)cccc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000181150229 251248181 /nfs/dbraw/zinc/24/81/81/251248181.db2.gz WZVRVQGGFGACBF-AWEZNQCLSA-N 1 0 356.426 2.817 20 5 FFBDRO C[NH+]1CCC([C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])c4cccnc34)C2)CC1 ZINC000271007094 251684727 /nfs/dbraw/zinc/68/47/27/251684727.db2.gz RIYRIWOOUAZWPT-OAHLLOKOSA-N 1 0 368.437 2.947 20 5 FFBDRO C[NH+]1CCC(C)(CNC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000272652358 252091684 /nfs/dbraw/zinc/09/16/84/252091684.db2.gz KQOFHLFQVZCMCB-UHFFFAOYSA-N 1 0 354.838 2.779 20 5 FFBDRO C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)C1=CC[N@H+](C)CC1 ZINC000272761513 252123671 /nfs/dbraw/zinc/12/36/71/252123671.db2.gz PRIKZBUKPXMEKQ-JTQLQIEISA-N 1 0 355.341 2.576 20 5 FFBDRO COc1ccc(NC(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000272887266 252156916 /nfs/dbraw/zinc/15/69/16/252156916.db2.gz XUNQKSVYUCAIIH-AWEZNQCLSA-N 1 0 362.430 2.799 20 5 FFBDRO C[C@H](Nc1ccc(C(=O)NC[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000273067776 252207524 /nfs/dbraw/zinc/20/75/24/252207524.db2.gz UVZLAEWWPWJISK-UONOGXRCSA-N 1 0 369.425 2.502 20 5 FFBDRO C[C@@]1([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCO[C@H]1C1CC1 ZINC000273090948 252214001 /nfs/dbraw/zinc/21/40/01/252214001.db2.gz SPBSTJDUYVGYTK-JKSUJKDBSA-N 1 0 353.806 2.734 20 5 FFBDRO O=C(CC[NH+]1CCC(c2ncc[nH]2)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000273205985 252250878 /nfs/dbraw/zinc/25/08/78/252250878.db2.gz UAXGFZVUPKYAEM-UHFFFAOYSA-N 1 0 361.377 2.665 20 5 FFBDRO COCC[C@@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(C)o1 ZINC000273283431 252273429 /nfs/dbraw/zinc/27/34/29/252273429.db2.gz LIKLSDBOCMJIIJ-NVXWUHKLSA-N 1 0 364.398 2.603 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(OC[C@@H]2CCCO2)CC1 ZINC000366650285 512122957 /nfs/dbraw/zinc/12/29/57/512122957.db2.gz VCLMLVJCKSEWCV-KRWDZBQOSA-N 1 0 350.415 2.763 20 5 FFBDRO CS[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C[C@@H]1[NH+]1CCCC1 ZINC000275825026 256051829 /nfs/dbraw/zinc/05/18/29/256051829.db2.gz RQXQJBVESNWDSI-LSDHHAIUSA-N 1 0 368.434 2.777 20 5 FFBDRO CC(C)c1ccc(C(=O)Nc2ccc(=O)n(CC[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000275914341 256058735 /nfs/dbraw/zinc/05/87/35/256058735.db2.gz WVNMIOVIAYOHOM-UHFFFAOYSA-N 1 0 372.425 2.694 20 5 FFBDRO Cn1c(Sc2nc3ccccc3cc2[N+](=O)[O-])nnc1[C@H]1CCC[NH2+]C1 ZINC000276686379 256121702 /nfs/dbraw/zinc/12/17/02/256121702.db2.gz VSYVDEQUFSHPSZ-LBPRGKRZSA-N 1 0 370.438 2.890 20 5 FFBDRO COC(=O)c1cnc(N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c([N+](=O)[O-])c1 ZINC000276690041 256122013 /nfs/dbraw/zinc/12/20/13/256122013.db2.gz HBGCPSHNAVSIPV-OLZOCXBDSA-N 1 0 362.430 2.841 20 5 FFBDRO O=c1[nH]ccc2c1C[N@H+](CCc1ncc(-c3cccc([N+](=O)[O-])c3)o1)CC2 ZINC000277010906 256151514 /nfs/dbraw/zinc/15/15/14/256151514.db2.gz XZRAZSGPVLHZPE-UHFFFAOYSA-N 1 0 366.377 2.951 20 5 FFBDRO CC(C)NC(=O)c1ccc(N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c([N+](=O)[O-])c1 ZINC000277087723 256160283 /nfs/dbraw/zinc/16/02/83/256160283.db2.gz VFLMFYXWPBPFIS-HZPDHXFCSA-N 1 0 360.458 2.654 20 5 FFBDRO O=C1OCCN1c1cc([N+](=O)[O-])ccc1NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000277463564 256200548 /nfs/dbraw/zinc/20/05/48/256200548.db2.gz PINSLCZPNNCFBT-OAHLLOKOSA-N 1 0 360.414 2.980 20 5 FFBDRO C[C@@H]1C[N@H+](CCCNc2ncc([N+](=O)[O-])cc2Br)CCCO1 ZINC000277568700 256212425 /nfs/dbraw/zinc/21/24/25/256212425.db2.gz AZWQIWOYENESRC-LLVKDONJSA-N 1 0 373.251 2.665 20 5 FFBDRO Cc1c(C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000277650089 256222312 /nfs/dbraw/zinc/22/23/12/256222312.db2.gz YVTOUJOIAKQFFO-ZDUSSCGKSA-N 1 0 362.386 2.558 20 5 FFBDRO Cc1cc(N2CCC[C@@H]([NH2+]C/C=C/c3ccccc3[N+](=O)[O-])C2)n(C)n1 ZINC000277803388 256241193 /nfs/dbraw/zinc/24/11/93/256241193.db2.gz XUBMYHWSPBYRFD-ZGRWHYIRSA-N 1 0 355.442 2.909 20 5 FFBDRO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000277630225 256219534 /nfs/dbraw/zinc/21/95/34/256219534.db2.gz XDMNMJALOOTBMM-AWEZNQCLSA-N 1 0 370.409 2.595 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1ccc(N3CCOCC3)nc1)CCC2 ZINC000278151808 256282010 /nfs/dbraw/zinc/28/20/10/256282010.db2.gz AHGNPCXGTWCVNJ-LJQANCHMSA-N 1 0 368.437 2.994 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000278234254 256290263 /nfs/dbraw/zinc/29/02/63/256290263.db2.gz VLJAJURKCCWOGA-IRXDYDNUSA-N 1 0 374.485 2.534 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@H](CC(F)(F)F)C1 ZINC000278674534 256336696 /nfs/dbraw/zinc/33/66/96/256336696.db2.gz IJCZENKJXWMJCV-SNVBAGLBSA-N 1 0 361.320 2.816 20 5 FFBDRO C[NH+](C)C[C@@H]1CCN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000279099922 256381316 /nfs/dbraw/zinc/38/13/16/256381316.db2.gz USMRLJXKZYGKAF-NSHDSACASA-N 1 0 374.363 2.707 20 5 FFBDRO [NH3+]CC[C@@H]1CCCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000281993012 256683322 /nfs/dbraw/zinc/68/33/22/256683322.db2.gz PSBZEXMLAQLUEQ-JTQLQIEISA-N 1 0 356.220 2.558 20 5 FFBDRO CN(CCC[NH+]1CCCC1)c1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000282015038 256684804 /nfs/dbraw/zinc/68/48/04/256684804.db2.gz XGKHLXZJBURLLV-UHFFFAOYSA-N 1 0 360.458 2.753 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1CCC2(CCOCC2)[C@@H]1O ZINC000282887909 256799657 /nfs/dbraw/zinc/79/96/57/256799657.db2.gz SMSHSCMTGMQRHH-KBXCAEBGSA-N 1 0 364.442 2.651 20 5 FFBDRO CN(c1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000286186365 257024625 /nfs/dbraw/zinc/02/46/25/257024625.db2.gz AGEUTFRJJYJCMB-FKEKPDDDSA-N 1 0 372.469 2.892 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCOC[C@@H]1CC(F)F ZINC000286269030 257028697 /nfs/dbraw/zinc/02/86/97/257028697.db2.gz BTCBYVMIGZEIAJ-ZDUSSCGKSA-N 1 0 357.357 2.588 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC2CC[NH+](CC3CCCC3)CC2)n1 ZINC000286464699 257038471 /nfs/dbraw/zinc/03/84/71/257038471.db2.gz YAYPONCLCNFYDB-UHFFFAOYSA-N 1 0 362.430 2.843 20 5 FFBDRO O=[N+]([O-])c1ccc2oc(CN3CC[C@@H](C(F)(F)F)[C@@H](CO)C3)nc2c1 ZINC000286609224 257045402 /nfs/dbraw/zinc/04/54/02/257045402.db2.gz RMFWOAHTZISPCF-MWLCHTKSSA-N 1 0 359.304 2.729 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000286667093 257048496 /nfs/dbraw/zinc/04/84/96/257048496.db2.gz UXLLRWWVENPUFZ-JSGCOSHPSA-N 1 0 362.348 2.986 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000286791238 257055374 /nfs/dbraw/zinc/05/53/74/257055374.db2.gz IBYGEIJYCJLXIJ-YJBOKZPZSA-N 1 0 360.458 2.790 20 5 FFBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000288198760 257159111 /nfs/dbraw/zinc/15/91/11/257159111.db2.gz CMDUAHYSMXLYEE-NVXWUHKLSA-N 1 0 372.469 2.894 20 5 FFBDRO CC(=O)c1cc(NCc2cccnc2N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000288236365 257163674 /nfs/dbraw/zinc/16/36/74/257163674.db2.gz DNMYWXIZCRNHKM-UHFFFAOYSA-N 1 0 369.425 2.556 20 5 FFBDRO [NH3+][C@H]1CCc2nc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)sc2C1 ZINC000288814302 257230021 /nfs/dbraw/zinc/23/00/21/257230021.db2.gz SURCHFQPLXSNNQ-ZETCQYMHSA-N 1 0 352.803 2.773 20 5 FFBDRO O=C(CC[N@@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1)Nc1ccccc1[N+](=O)[O-] ZINC000289419091 257280122 /nfs/dbraw/zinc/28/01/22/257280122.db2.gz BSYLRKKCMAFFKJ-FUHWJXTLSA-N 1 0 359.426 2.957 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000289236102 257268016 /nfs/dbraw/zinc/26/80/16/257268016.db2.gz MLHLEUQGDDUAEG-HNNXBMFYSA-N 1 0 368.231 2.573 20 5 FFBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000289900151 257305422 /nfs/dbraw/zinc/30/54/22/257305422.db2.gz UHHBJUVXFQEJGN-HZPDHXFCSA-N 1 0 372.469 2.513 20 5 FFBDRO Cn1cc(C[N@@H+]2CC[C@@H](n3cccn3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000291351704 257399289 /nfs/dbraw/zinc/39/92/89/257399289.db2.gz XGOGSPKMRNAGCR-QGZVFWFLSA-N 1 0 352.398 2.639 20 5 FFBDRO COc1cc(C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)c([N+](=O)[O-])cc1F ZINC000294832854 257604727 /nfs/dbraw/zinc/60/47/27/257604727.db2.gz FEIYBDJEKQBUSZ-CYBMUJFWSA-N 1 0 365.405 2.691 20 5 FFBDRO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@H]2[C@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000298667486 257931823 /nfs/dbraw/zinc/93/18/23/257931823.db2.gz YHBKQLQPQKGCEC-DOTOQJQBSA-N 1 0 363.414 2.575 20 5 FFBDRO Cc1cc(Nc2cnn(CC[NH+](C)C)c2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301088491 258023752 /nfs/dbraw/zinc/02/37/52/258023752.db2.gz HBTJNRUXHYFLMO-UHFFFAOYSA-N 1 0 367.413 2.862 20 5 FFBDRO C[C@H]1CCC[N@@H+](C(C)(C)CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000301145176 258028899 /nfs/dbraw/zinc/02/88/99/258028899.db2.gz AIFONBSYEGNFKK-ZDUSSCGKSA-N 1 0 369.487 2.921 20 5 FFBDRO C[N@@H+]1CCCC[C@H]1CN1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000301183343 258031786 /nfs/dbraw/zinc/03/17/86/258031786.db2.gz IRUQXEKSXUGNRY-HNNXBMFYSA-N 1 0 352.866 2.855 20 5 FFBDRO Cc1ccnc(NC[C@@H](C)[NH+]2CCN(c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000301306210 258041557 /nfs/dbraw/zinc/04/15/57/258041557.db2.gz USXBEQZIQGERGC-MRXNPFEDSA-N 1 0 355.442 2.921 20 5 FFBDRO O=c1[nH]cnc2cc(N3CCC(C[NH+]4CCCC4)CC3)c([N+](=O)[O-])cc12 ZINC000301384415 258046213 /nfs/dbraw/zinc/04/62/13/258046213.db2.gz WHPKJSOHBMVGJB-UHFFFAOYSA-N 1 0 357.414 2.556 20 5 FFBDRO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000299613416 258010173 /nfs/dbraw/zinc/01/01/73/258010173.db2.gz ZFNUBHUSDSIYQL-QGZVFWFLSA-N 1 0 372.469 2.895 20 5 FFBDRO Cc1cc(N2CCN(Cc3nccn3C)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302167187 258092087 /nfs/dbraw/zinc/09/20/87/258092087.db2.gz LCXHRKSFHAIUOT-UHFFFAOYSA-N 1 0 366.425 2.507 20 5 FFBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@H](CC[NH3+])c2ccccc21 ZINC000327431678 258116194 /nfs/dbraw/zinc/11/61/94/258116194.db2.gz OQNDMOFQCFDHAV-ZDUSSCGKSA-N 1 0 361.423 2.545 20 5 FFBDRO CC[N@@H+]1CCCC[C@@H]1CNc1c([N+](=O)[O-])cc(CO)c(C)c1[N+](=O)[O-] ZINC000301557120 258055863 /nfs/dbraw/zinc/05/58/63/258055863.db2.gz SMXRGFCYDOZBOX-CYBMUJFWSA-N 1 0 352.391 2.590 20 5 FFBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)Nc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000301878826 258072595 /nfs/dbraw/zinc/07/25/95/258072595.db2.gz JKUUSJZCPJZXSP-OLZOCXBDSA-N 1 0 355.460 2.531 20 5 FFBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000301989646 258080637 /nfs/dbraw/zinc/08/06/37/258080637.db2.gz OQVKRXRFVXMQGB-UPJWGTAASA-N 1 0 362.430 2.704 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC000330691303 258168333 /nfs/dbraw/zinc/16/83/33/258168333.db2.gz BCWRWYNUVGNVTC-RDJZCZTQSA-N 1 0 363.458 2.961 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC000330703741 258168894 /nfs/dbraw/zinc/16/88/94/258168894.db2.gz JIRFKMQMQMCWJK-RDJZCZTQSA-N 1 0 363.458 2.961 20 5 FFBDRO C[C@H]1C[C@@H](N(C)C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000330783050 258170504 /nfs/dbraw/zinc/17/05/04/258170504.db2.gz HRWUWZBYUGSXLM-JQWIXIFHSA-N 1 0 357.357 2.751 20 5 FFBDRO CC[NH+](CC)CC1CCN(S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000330894711 258173089 /nfs/dbraw/zinc/17/30/89/258173089.db2.gz ZZAIXGIJULVSJP-UHFFFAOYSA-N 1 0 369.487 2.646 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N3CCC[C@H]([NH+](C)C)C3)cc2[N+](=O)[O-])C1 ZINC000332378587 258228053 /nfs/dbraw/zinc/22/80/53/258228053.db2.gz NTTVVAQSTIAELO-WBVHZDCISA-N 1 0 374.485 2.997 20 5 FFBDRO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000332474806 258231671 /nfs/dbraw/zinc/23/16/71/258231671.db2.gz KZQJCBUARLCRDO-OCCSQVGLSA-N 1 0 366.849 2.745 20 5 FFBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3ccc(OC(F)F)c([N+](=O)[O-])c3)CC[C@@H]21 ZINC000332485922 258231946 /nfs/dbraw/zinc/23/19/46/258231946.db2.gz AWAGWPRYPZUFAR-OLZOCXBDSA-N 1 0 369.368 2.753 20 5 FFBDRO Cn1cc(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c(C(F)(F)F)n1 ZINC000331687422 258196448 /nfs/dbraw/zinc/19/64/48/258196448.db2.gz XUSOVZSJPYUTOF-NEPJUHHUSA-N 1 0 372.351 2.817 20 5 FFBDRO CC(C)c1n[nH]c(C(=O)N2CCC[C@@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)c1[N+](=O)[O-] ZINC000331757813 258199500 /nfs/dbraw/zinc/19/95/00/258199500.db2.gz BDRCIYKNQRZUME-HZSPNIEDSA-N 1 0 363.462 2.919 20 5 FFBDRO CCOc1cc(C(=O)NCC[NH+](C(C)C)C(C)C)c([N+](=O)[O-])cc1OC ZINC000032244511 506235272 /nfs/dbraw/zinc/23/52/72/506235272.db2.gz UEDKEQTZVWRWLH-UHFFFAOYSA-N 1 0 367.446 2.851 20 5 FFBDRO CC(C)[NH+](CCNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000053140940 506319571 /nfs/dbraw/zinc/31/95/71/506319571.db2.gz GOPGSHPLMCBYEO-UHFFFAOYSA-N 1 0 373.457 2.844 20 5 FFBDRO C[NH+]1CCC2(CCCN(c3ccc(C(=O)NC4CC4)cc3[N+](=O)[O-])C2)CC1 ZINC000366832429 512207010 /nfs/dbraw/zinc/20/70/10/512207010.db2.gz JNVXVXMPNMBBNW-UHFFFAOYSA-N 1 0 372.469 2.799 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000366905875 512243050 /nfs/dbraw/zinc/24/30/50/512243050.db2.gz VBSAOUPOHRREDF-AWEZNQCLSA-N 1 0 362.430 2.943 20 5 FFBDRO O=C1Nc2ccccc2[C@]12CC[N@@H+](Cc1nc3cc([N+](=O)[O-])ccc3o1)C2 ZINC000375318791 512264767 /nfs/dbraw/zinc/26/47/67/512264767.db2.gz KFKHGZJFRYJHJD-LJQANCHMSA-N 1 0 364.361 2.832 20 5 FFBDRO CNC(=O)c1ccc(NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000053558305 506405687 /nfs/dbraw/zinc/40/56/87/506405687.db2.gz NLIMTSTWTARIQB-CQSZACIVSA-N 1 0 368.437 2.813 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CN1CCC[C@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000066378115 506501170 /nfs/dbraw/zinc/50/11/70/506501170.db2.gz FWXBQMVUJQFKKJ-DAYGRLMNSA-N 1 0 363.458 2.677 20 5 FFBDRO CCOc1cc(C(=O)NCC2([NH+](C)C)CCCC2)c([N+](=O)[O-])cc1OC ZINC000042763837 506665077 /nfs/dbraw/zinc/66/50/77/506665077.db2.gz QWSJYWQDJWLAKB-UHFFFAOYSA-N 1 0 365.430 2.606 20 5 FFBDRO C[NH+](C)[C@H]1Cc2ccccc2N(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000067208419 506794785 /nfs/dbraw/zinc/79/47/85/506794785.db2.gz INKKWYBEMHZRRT-INIZCTEOSA-N 1 0 370.365 2.636 20 5 FFBDRO CNC(=O)c1ccc(NC[C@@H](c2ccc(C)cc2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000067383132 506854557 /nfs/dbraw/zinc/85/45/57/506854557.db2.gz BPDLDKUQOOXPHZ-SFHVURJKSA-N 1 0 356.426 2.978 20 5 FFBDRO C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2CCOc2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000067387604 506856588 /nfs/dbraw/zinc/85/65/88/506856588.db2.gz BIKLOTAFLNMHLQ-NUJGCVRESA-N 1 0 363.458 2.547 20 5 FFBDRO C[NH+](C)CCN(Cc1ccccc1)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000067724901 506991023 /nfs/dbraw/zinc/99/10/23/506991023.db2.gz ZJQBBPUEVQSRAU-UHFFFAOYSA-N 1 0 356.426 2.868 20 5 FFBDRO C[NH+](C)CCOc1cccc(CNC(=O)NCc2ccccc2[N+](=O)[O-])c1 ZINC000045622712 506994294 /nfs/dbraw/zinc/99/42/94/506994294.db2.gz IPJODCXWQCEHRR-UHFFFAOYSA-N 1 0 372.425 2.535 20 5 FFBDRO C[C@@H](CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)[N@@H+]1CCCC[C@H]1C ZINC000067830429 507020438 /nfs/dbraw/zinc/02/04/38/507020438.db2.gz LCVDQMPWFRYJEE-CABCVRRESA-N 1 0 358.442 2.929 20 5 FFBDRO C[NH+](C)CCOc1ccc(CNC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000045794380 507021917 /nfs/dbraw/zinc/02/19/17/507021917.db2.gz RKOWALBVMCMXLL-UHFFFAOYSA-N 1 0 358.398 2.857 20 5 FFBDRO O=C(NC1CC1)[C@@H]([NH2+]CCNc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000015505901 507044726 /nfs/dbraw/zinc/04/47/26/507044726.db2.gz ZWZGCBSYEQTICA-SFHVURJKSA-N 1 0 354.410 2.616 20 5 FFBDRO C[NH+](C)C[C@H](NC(=O)CCNc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000015583774 507049859 /nfs/dbraw/zinc/04/98/59/507049859.db2.gz ZGTCDVRVQHZVHT-KRWDZBQOSA-N 1 0 356.426 2.816 20 5 FFBDRO C[C@H](CNC(=O)NCc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCc2ccccc2C1 ZINC000057004567 507144022 /nfs/dbraw/zinc/14/40/22/507144022.db2.gz VTJFJOCBAGLVPS-OAHLLOKOSA-N 1 0 368.437 2.841 20 5 FFBDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000057157078 507189979 /nfs/dbraw/zinc/18/99/79/507189979.db2.gz VLGPVOUVCFLXBJ-CYBMUJFWSA-N 1 0 367.446 2.852 20 5 FFBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000047038425 507254808 /nfs/dbraw/zinc/25/48/08/507254808.db2.gz BWCFVNZVYOMSFW-HZPDHXFCSA-N 1 0 363.458 2.848 20 5 FFBDRO CC[NH+]1CCN(Cc2ccc(CNc3ccc([N+](=O)[O-])cn3)cc2)CC1 ZINC000047272518 507297690 /nfs/dbraw/zinc/29/76/90/507297690.db2.gz FOXUELJWIFDQNO-UHFFFAOYSA-N 1 0 355.442 2.739 20 5 FFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000047434124 507332221 /nfs/dbraw/zinc/33/22/21/507332221.db2.gz ARJUPIYGEHBCLU-STQMWFEESA-N 1 0 367.471 2.546 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000048039713 507438662 /nfs/dbraw/zinc/43/86/62/507438662.db2.gz INROLYAEMHILGR-ZDUSSCGKSA-N 1 0 350.419 2.847 20 5 FFBDRO CCOc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000069476496 507497085 /nfs/dbraw/zinc/49/70/85/507497085.db2.gz GILLHGASBHBMLV-KRWDZBQOSA-N 1 0 369.421 2.998 20 5 FFBDRO COc1cccc([C@H](CNC(=O)c2cc(OC)ccc2[N+](=O)[O-])[NH+](C)C)c1 ZINC000060063774 507511607 /nfs/dbraw/zinc/51/16/07/507511607.db2.gz BNYFFLORQKAILC-SFHVURJKSA-N 1 0 373.409 2.645 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCC[NH+](C(C)C)C(C)C)cc1C ZINC000060497788 507552402 /nfs/dbraw/zinc/55/24/02/507552402.db2.gz ZWGHDGZJIYBRPY-UHFFFAOYSA-N 1 0 357.476 2.609 20 5 FFBDRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])o2)c1 ZINC000048808041 507566927 /nfs/dbraw/zinc/56/69/27/507566927.db2.gz BXAPLTQOZZBQLO-UHFFFAOYSA-N 1 0 374.397 2.512 20 5 FFBDRO C[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(F)c(F)c1 ZINC000026713229 507604151 /nfs/dbraw/zinc/60/41/51/507604151.db2.gz XIWLHQOHSZOVIU-FZMZJTMJSA-N 1 0 352.337 2.964 20 5 FFBDRO CC(C)C[NH+]1CCN([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000049969381 507645871 /nfs/dbraw/zinc/64/58/71/507645871.db2.gz FBADTLAPTHNINU-ZDUSSCGKSA-N 1 0 368.865 2.849 20 5 FFBDRO O=C(CC1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1)N1CCCC1 ZINC000071952389 507729024 /nfs/dbraw/zinc/72/90/24/507729024.db2.gz DGJHFLYBXJHRPT-UHFFFAOYSA-N 1 0 361.442 2.698 20 5 FFBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)C1CC[NH+](C(C)C)CC1 ZINC000063518205 507743307 /nfs/dbraw/zinc/74/33/07/507743307.db2.gz SWCGFKAKNKMRGW-UHFFFAOYSA-N 1 0 369.487 2.651 20 5 FFBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000051341616 507762660 /nfs/dbraw/zinc/76/26/60/507762660.db2.gz HZNYDNYNSCJMFG-CQSZACIVSA-N 1 0 360.439 2.932 20 5 FFBDRO C[C@@H](CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)[NH+]1CCCC1 ZINC000051342879 507763963 /nfs/dbraw/zinc/76/39/63/507763963.db2.gz REXSRKOJVCQPIQ-LBPRGKRZSA-N 1 0 360.439 2.932 20 5 FFBDRO C[NH+](C)[C@H](CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])c1cccs1 ZINC000029186096 507767654 /nfs/dbraw/zinc/76/76/54/507767654.db2.gz SBRRFXCHRMLLBK-CQSZACIVSA-N 1 0 359.411 2.608 20 5 FFBDRO Nc1c(C(=O)N2CC[NH+](CC3CCCCC3)CC2)cc(F)cc1[N+](=O)[O-] ZINC000064126540 507785485 /nfs/dbraw/zinc/78/54/85/507785485.db2.gz UGYFMLOCTRPFTK-UHFFFAOYSA-N 1 0 364.421 2.654 20 5 FFBDRO C[C@H]1CCC[C@](CNC(=O)CCOc2ccccc2[N+](=O)[O-])([NH+](C)C)C1 ZINC000064309617 507789461 /nfs/dbraw/zinc/78/94/61/507789461.db2.gz YGVKOMMBOWCAKH-KXBFYZLASA-N 1 0 363.458 2.990 20 5 FFBDRO CC1CC[NH+](CCCCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000052281753 507805290 /nfs/dbraw/zinc/80/52/90/507805290.db2.gz CAHGIFZMZTXRON-UHFFFAOYSA-N 1 0 369.487 2.922 20 5 FFBDRO CC(C)(C)[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1 ZINC000072580496 507827611 /nfs/dbraw/zinc/82/76/11/507827611.db2.gz BDVJWWKHSGZKRW-HOTGVXAUSA-N 1 0 350.394 2.668 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2noc(CN3CC[C@H](C[NH+]4CCCCC4)C3)n2)cc1 ZINC000072720167 507847266 /nfs/dbraw/zinc/84/72/66/507847266.db2.gz VXCNQRIFKCSVOP-OAHLLOKOSA-N 1 0 371.441 2.953 20 5 FFBDRO C[C@H]1CCC[C@@](CNc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])([NH+](C)C)C1 ZINC000089619889 507850839 /nfs/dbraw/zinc/85/08/39/507850839.db2.gz CSLFUNYBPZPGJW-SUMWQHHRSA-N 1 0 369.487 2.921 20 5 FFBDRO C[C@H]1CCC[C@](CNc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])([NH+](C)C)C1 ZINC000089619895 507851233 /nfs/dbraw/zinc/85/12/33/507851233.db2.gz CSLFUNYBPZPGJW-GUYCJALGSA-N 1 0 369.487 2.921 20 5 FFBDRO Cc1c[nH+]ccc1N1CCC(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000073032787 507886739 /nfs/dbraw/zinc/88/67/39/507886739.db2.gz XTROIBSFVDCNJF-UHFFFAOYSA-N 1 0 368.437 2.874 20 5 FFBDRO CC1CCN(c2ccc(C(=O)NC[C@@H]3CCC[N@H+](C)C3)cc2[N+](=O)[O-])CC1 ZINC000108341364 507888210 /nfs/dbraw/zinc/88/82/10/507888210.db2.gz JSXNORCJCVZCRN-INIZCTEOSA-N 1 0 374.485 2.903 20 5 FFBDRO CC[NH+]1CCC(n2nccc2NC(=O)c2ccc(NC)c([N+](=O)[O-])c2)CC1 ZINC000073079989 507891445 /nfs/dbraw/zinc/89/14/45/507891445.db2.gz XBWULONRCMSGBH-UHFFFAOYSA-N 1 0 372.429 2.742 20 5 FFBDRO COc1ccc(-c2ccc(C[NH2+]C(C)(C)C(=O)N(C)C)o2)c([N+](=O)[O-])c1 ZINC000108422315 507893732 /nfs/dbraw/zinc/89/37/32/507893732.db2.gz NJEGKJALEBCTTB-UHFFFAOYSA-N 1 0 361.398 2.820 20 5 FFBDRO Cc1cnc(Sc2nnc([C@@H]3CCC[NH2+]C3)n2C2CC2)c([N+](=O)[O-])c1 ZINC000078664850 507894618 /nfs/dbraw/zinc/89/46/18/507894618.db2.gz HTEAQNVGCJLZKX-LLVKDONJSA-N 1 0 360.443 2.843 20 5 FFBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000090554211 507927525 /nfs/dbraw/zinc/92/75/25/507927525.db2.gz SYPQISBOKKOPGP-UHFFFAOYSA-N 1 0 367.409 2.512 20 5 FFBDRO O=[N+]([O-])c1ccc(OCCC[NH+]2CCN(Cc3cccnc3)CC2)cc1 ZINC000091076495 507950186 /nfs/dbraw/zinc/95/01/86/507950186.db2.gz MFQDSSLOXGKRAF-UHFFFAOYSA-N 1 0 356.426 2.577 20 5 FFBDRO O=[N+]([O-])c1cncc(Br)c1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000091453545 507986966 /nfs/dbraw/zinc/98/69/66/507986966.db2.gz JGYUYLGPGJIGON-NSHDSACASA-N 1 0 355.236 2.817 20 5 FFBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000074323826 508012337 /nfs/dbraw/zinc/01/23/37/508012337.db2.gz ZTHBWHCWWGZSIG-AWEZNQCLSA-N 1 0 365.861 2.981 20 5 FFBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000074326952 508012379 /nfs/dbraw/zinc/01/23/79/508012379.db2.gz GKFTWYLRNGWFQU-KRWDZBQOSA-N 1 0 374.485 2.977 20 5 FFBDRO CC(C)CC[NH+]1CCC(CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000079996392 508024647 /nfs/dbraw/zinc/02/46/47/508024647.db2.gz OEDLQWMSYBITAY-UHFFFAOYSA-N 1 0 373.457 2.959 20 5 FFBDRO C[C@@H](CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[N@H+](C)Cc1ccccc1 ZINC000110966866 508061497 /nfs/dbraw/zinc/06/14/97/508061497.db2.gz NMAQZJXQOOLGIK-ZDUSSCGKSA-N 1 0 367.409 2.721 20 5 FFBDRO COc1ccc(CNCC2([NH+]3CCCCC3)CCOCC2)cc1[N+](=O)[O-] ZINC000111403860 508096991 /nfs/dbraw/zinc/09/69/91/508096991.db2.gz MKSATHYVDYLODK-UHFFFAOYSA-N 1 0 363.458 2.728 20 5 FFBDRO CCc1ccc(C2=CC[N@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)cc1 ZINC000093262747 508131958 /nfs/dbraw/zinc/13/19/58/508131958.db2.gz ZASDAFUFOWGTBO-LJQANCHMSA-N 1 0 356.426 2.504 20 5 FFBDRO CCc1nn(C)c(N[C@H](C)C[NH+]2CCN(c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000094166123 508171966 /nfs/dbraw/zinc/17/19/66/508171966.db2.gz VXEIRJIDCXCDSI-OAHLLOKOSA-N 1 0 372.473 2.513 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)[C@H](C)C1 ZINC000076491679 508213617 /nfs/dbraw/zinc/21/36/17/508213617.db2.gz DGOMFXLTEIGFAL-KDOFPFPSSA-N 1 0 371.441 2.583 20 5 FFBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccc(-n2ccnc2)c(Cl)c1 ZINC000101665655 508253395 /nfs/dbraw/zinc/25/33/95/508253395.db2.gz VKJOCIPWRKSTFP-UHFFFAOYSA-N 1 0 374.788 2.968 20 5 FFBDRO CC[N@H+](CCNC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-])C(C)C ZINC000103194152 508301575 /nfs/dbraw/zinc/30/15/75/508301575.db2.gz LCVDPVHKFYJEQD-UHFFFAOYSA-N 1 0 355.460 2.785 20 5 FFBDRO CC1CC[NH+](CCNc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CC1 ZINC000077524075 508327610 /nfs/dbraw/zinc/32/76/10/508327610.db2.gz RXNIZKCZDBHZOK-UHFFFAOYSA-N 1 0 360.458 2.975 20 5 FFBDRO COc1cc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])nc3)C2)cc(OC)c1 ZINC000088751409 508382372 /nfs/dbraw/zinc/38/23/72/508382372.db2.gz KNFVWYRJUDYIAS-OAHLLOKOSA-N 1 0 358.398 2.693 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N3CCC[C@@H]([NH+](C)C)C3)cc2[N+](=O)[O-])CC1 ZINC000106364813 508399800 /nfs/dbraw/zinc/39/98/00/508399800.db2.gz FGPKYEIRRQHVRY-QGZVFWFLSA-N 1 0 374.485 2.997 20 5 FFBDRO COc1ccc(CSCC(=O)N2CCCC[C@H]2[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000121777751 508415632 /nfs/dbraw/zinc/41/56/32/508415632.db2.gz ILDASFVZGLHBQO-JSGCOSHPSA-N 1 0 367.471 2.565 20 5 FFBDRO C[NH+](C)C[C@H]1CCN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000127218112 508416951 /nfs/dbraw/zinc/41/69/51/508416951.db2.gz JSDJWIFVBIIUBC-SNVBAGLBSA-N 1 0 371.235 2.773 20 5 FFBDRO C[NH+](C)[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1F)c1ccc(F)cc1 ZINC000133580152 508419508 /nfs/dbraw/zinc/41/95/08/508419508.db2.gz LWLOGDWINOWWRI-QGZVFWFLSA-N 1 0 363.364 2.835 20 5 FFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[NH+]1CCC(OC)CC1 ZINC000152336233 508426722 /nfs/dbraw/zinc/42/67/22/508426722.db2.gz ACOYZEJBWCFUKK-UHFFFAOYSA-N 1 0 367.471 2.547 20 5 FFBDRO Cc1c(C(=O)N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)cccc1[N+](=O)[O-] ZINC000133756352 508444587 /nfs/dbraw/zinc/44/45/87/508444587.db2.gz RYHOMIURMXDPAD-HZPDHXFCSA-N 1 0 374.485 2.534 20 5 FFBDRO O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000127507271 508460400 /nfs/dbraw/zinc/46/04/00/508460400.db2.gz NJRKPWXCYBARQO-INIZCTEOSA-N 1 0 372.469 2.753 20 5 FFBDRO COC(=O)C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C1CCCC1 ZINC000134089792 508491730 /nfs/dbraw/zinc/49/17/30/508491730.db2.gz GXDWUVMKRZMGTL-UHFFFAOYSA-N 1 0 363.414 2.649 20 5 FFBDRO COc1cc(CN2CC[NH+](C)CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000127858975 508511007 /nfs/dbraw/zinc/51/10/07/508511007.db2.gz GRVAPSXLPYPTOM-UHFFFAOYSA-N 1 0 371.437 2.930 20 5 FFBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000157202990 508536675 /nfs/dbraw/zinc/53/66/75/508536675.db2.gz HAJOZZWQRQTNLP-PBHICJAKSA-N 1 0 358.442 2.725 20 5 FFBDRO C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000157300454 508548953 /nfs/dbraw/zinc/54/89/53/508548953.db2.gz LJJSIBKUIMAUEW-UHFFFAOYSA-N 1 0 361.373 2.644 20 5 FFBDRO C[C@H](CNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000116730707 508552364 /nfs/dbraw/zinc/55/23/64/508552364.db2.gz ARKYOYFVTHKGGY-CYBMUJFWSA-N 1 0 369.849 2.865 20 5 FFBDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000122900777 508604663 /nfs/dbraw/zinc/60/46/63/508604663.db2.gz ZYZCYIQCLLDJGU-LLVKDONJSA-N 1 0 370.247 2.771 20 5 FFBDRO C[C@H](Nc1ccc(C(=O)N2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000157749642 508606450 /nfs/dbraw/zinc/60/64/50/508606450.db2.gz DZUCBMLNUIDKCH-DZGCQCFKSA-N 1 0 369.425 2.726 20 5 FFBDRO CN(CC[NH+]1CCN(c2ccccc2)CC1)Cc1csc([N+](=O)[O-])c1 ZINC000157787081 508611480 /nfs/dbraw/zinc/61/14/80/508611480.db2.gz BAPXJOVCCFULNQ-UHFFFAOYSA-N 1 0 360.483 2.910 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000122946070 508612055 /nfs/dbraw/zinc/61/20/55/508612055.db2.gz LHOFJONZTILPNW-AWEZNQCLSA-N 1 0 362.430 2.989 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NCCc1cn2c(n1)CCCC2 ZINC000122979960 508617282 /nfs/dbraw/zinc/61/72/82/508617282.db2.gz COJHCUWUQULKHY-UHFFFAOYSA-N 1 0 359.386 2.500 20 5 FFBDRO Cc1cc(NC(=O)NC2CC[NH+](CCOC(C)C)CC2)ccc1[N+](=O)[O-] ZINC000153657895 508618816 /nfs/dbraw/zinc/61/88/16/508618816.db2.gz WXSRTNNZRMAPMF-UHFFFAOYSA-N 1 0 364.446 2.914 20 5 FFBDRO COc1cc(C[NH2+]C[C@@](C)(O)c2ccc(F)cc2)c([N+](=O)[O-])cc1OC ZINC000157830966 508619395 /nfs/dbraw/zinc/61/93/95/508619395.db2.gz FNBQBWRUDPZLHY-GOSISDBHSA-N 1 0 364.373 2.748 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000123021675 508623349 /nfs/dbraw/zinc/62/33/49/508623349.db2.gz WCGBTEYDDFILGH-UHFFFAOYSA-N 1 0 350.419 2.988 20 5 FFBDRO Cc1cc(NC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000153689056 508626151 /nfs/dbraw/zinc/62/61/51/508626151.db2.gz GRZNYZVRBFDPKM-CQSZACIVSA-N 1 0 362.430 2.526 20 5 FFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccccc1C[NH+]1CCC(O)CC1 ZINC000135624837 508633182 /nfs/dbraw/zinc/63/31/82/508633182.db2.gz ZFRKDHRHYSNPEB-UHFFFAOYSA-N 1 0 369.421 2.733 20 5 FFBDRO CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000128860028 508652525 /nfs/dbraw/zinc/65/25/25/508652525.db2.gz FHFWNCXIAVBRGP-HIFRSBDPSA-N 1 0 364.421 2.621 20 5 FFBDRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000136071716 508668311 /nfs/dbraw/zinc/66/83/11/508668311.db2.gz XETJMRNSFMRIAY-ZDUSSCGKSA-N 1 0 357.414 2.622 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2noc(CN3CCC[C@H]([NH+]4CCCC4)C3)n2)cc1 ZINC000118828173 508679667 /nfs/dbraw/zinc/67/96/67/508679667.db2.gz PIWAHHFQAREXRL-INIZCTEOSA-N 1 0 357.414 2.705 20 5 FFBDRO COc1cc(C(=O)NC[C@H](C)[N@@H+]2CCc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000153934291 508680294 /nfs/dbraw/zinc/68/02/94/508680294.db2.gz NUINZWWGNJDQLP-AWEZNQCLSA-N 1 0 369.421 2.780 20 5 FFBDRO O=C(CN1CCC[C@H]([NH+]2CCCC2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000118830042 508680855 /nfs/dbraw/zinc/68/08/55/508680855.db2.gz CWBYYHSXBNSTFX-AWEZNQCLSA-N 1 0 366.849 2.747 20 5 FFBDRO O=C(CN1CCC[C@H]([NH+]2CCCC2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000118828909 508680857 /nfs/dbraw/zinc/68/08/57/508680857.db2.gz KGLQEFQFXNHIJM-AWEZNQCLSA-N 1 0 366.849 2.747 20 5 FFBDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)c2[nH]ncc2[N+](=O)[O-])C1 ZINC000136314455 508685839 /nfs/dbraw/zinc/68/58/39/508685839.db2.gz SIKVQYHYUYJXCJ-OKILXGFUSA-N 1 0 371.441 2.726 20 5 FFBDRO O=C(CC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)Nc1cccc(F)c1 ZINC000118866463 508688476 /nfs/dbraw/zinc/68/84/76/508688476.db2.gz HZFLEDVYHICCGH-OAHLLOKOSA-N 1 0 373.388 2.644 20 5 FFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3ccc(-n4cccn4)cc3)C2)nc1 ZINC000118866495 508688804 /nfs/dbraw/zinc/68/88/04/508688804.db2.gz LWOUHMXXDLSYNZ-MRXNPFEDSA-N 1 0 364.409 2.862 20 5 FFBDRO CN(CC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1[N+](=O)[O-] ZINC000154012468 508698976 /nfs/dbraw/zinc/69/89/76/508698976.db2.gz LQQNTLQXGWRPDS-WBVHZDCISA-N 1 0 372.469 2.506 20 5 FFBDRO O=C(CCN1CCOC[C@@H]1c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000375597027 512412358 /nfs/dbraw/zinc/41/23/58/512412358.db2.gz JMXSMAFECXJRKF-GOSISDBHSA-N 1 0 355.394 2.997 20 5 FFBDRO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)C2 ZINC000154097338 508716633 /nfs/dbraw/zinc/71/66/33/508716633.db2.gz LMNZQGOEBPAEJU-QWHCGFSZSA-N 1 0 368.231 2.666 20 5 FFBDRO C[NH+](C)[C@H](CNC(=O)NCCc1cccc([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000136921034 508724493 /nfs/dbraw/zinc/72/44/93/508724493.db2.gz DSQARISHIHTNFI-GOSISDBHSA-N 1 0 374.416 2.879 20 5 FFBDRO C[C@H](CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)C[NH+]1CCCCC1 ZINC000137173939 508741897 /nfs/dbraw/zinc/74/18/97/508741897.db2.gz YELFILYKMPIRJO-OAHLLOKOSA-N 1 0 371.441 2.632 20 5 FFBDRO C[C@@H]1C[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C[N@@H+]1Cc1ccccc1 ZINC000137431698 508756551 /nfs/dbraw/zinc/75/65/51/508756551.db2.gz YVMAOMFZVKPBQA-IUODEOHRSA-N 1 0 372.400 2.709 20 5 FFBDRO COc1cc(C(=O)N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000137476396 508757520 /nfs/dbraw/zinc/75/75/20/508757520.db2.gz WLSZNRQAIHCRDW-PBHICJAKSA-N 1 0 369.421 2.996 20 5 FFBDRO C[NH+](C)[C@@H](CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])c1ccccc1 ZINC000137967759 508767427 /nfs/dbraw/zinc/76/74/27/508767427.db2.gz MODAGAZJDLRLIV-KRWDZBQOSA-N 1 0 353.382 2.546 20 5 FFBDRO C[C@H](Cc1ccc(O)cc1)[N@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000138375706 508773038 /nfs/dbraw/zinc/77/30/38/508773038.db2.gz ICQHNMGZEHVNLF-CQSZACIVSA-N 1 0 357.410 2.826 20 5 FFBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[NH+](C2CCCCC2)CC1 ZINC000141742972 508818567 /nfs/dbraw/zinc/81/85/67/508818567.db2.gz QYZZNILGRLOMDA-OAHLLOKOSA-N 1 0 360.458 2.872 20 5 FFBDRO CN(CCOCc1ccccc1)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000154626388 508821574 /nfs/dbraw/zinc/82/15/74/508821574.db2.gz WJVLNMXTQQEUTR-UHFFFAOYSA-N 1 0 369.421 2.633 20 5 FFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000119593786 508825150 /nfs/dbraw/zinc/82/51/50/508825150.db2.gz WNDFNMFVYCTQEZ-BEFAXECRSA-N 1 0 368.437 2.915 20 5 FFBDRO C[NH+](C)CCC1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000154749412 508848327 /nfs/dbraw/zinc/84/83/27/508848327.db2.gz YBTKPJXNRJGXJZ-UHFFFAOYSA-N 1 0 356.426 2.947 20 5 FFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000119749399 508855971 /nfs/dbraw/zinc/85/59/71/508855971.db2.gz MAABMHMPKPHZLZ-QAPCUYQASA-N 1 0 353.422 2.774 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC2CC[NH+](C(C)(C)C)CC2)c1C ZINC000119804675 508866175 /nfs/dbraw/zinc/86/61/75/508866175.db2.gz LRUJJSGKBMWUQT-UHFFFAOYSA-N 1 0 369.487 2.753 20 5 FFBDRO CCC[C@H]1CN(C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC[N@@H+]1CCOC ZINC000154872261 508873568 /nfs/dbraw/zinc/87/35/68/508873568.db2.gz WKZRNDVCTWQWPT-INIZCTEOSA-N 1 0 364.446 2.868 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](OCC(C)C)C1 ZINC000119874131 508881749 /nfs/dbraw/zinc/88/17/49/508881749.db2.gz JEULZMRYLIHUQN-OAHLLOKOSA-N 1 0 365.430 2.679 20 5 FFBDRO Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000124857472 508895742 /nfs/dbraw/zinc/89/57/42/508895742.db2.gz DLANWGQWNPZHJP-AWEZNQCLSA-N 1 0 363.439 2.532 20 5 FFBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000150809034 508897540 /nfs/dbraw/zinc/89/75/40/508897540.db2.gz YHOSLLIJBBAAMO-HZSPNIEDSA-N 1 0 351.422 2.759 20 5 FFBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CCC(=O)OC(C)(C)C ZINC000150830025 508902781 /nfs/dbraw/zinc/90/27/81/508902781.db2.gz XMOPCOOAWJWQRX-UHFFFAOYSA-N 1 0 351.403 2.587 20 5 FFBDRO O=C1CCc2cc([N+](=O)[O-])c(N3CCC[C@H]([NH+]4CCCC4)CC3)cc2N1 ZINC000150892593 508917061 /nfs/dbraw/zinc/91/70/61/508917061.db2.gz KYARDEWJXKFUMB-HNNXBMFYSA-N 1 0 358.442 2.934 20 5 FFBDRO Cc1c(NC(=O)[C@H](C)N(C)CCC(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC000150953086 508929489 /nfs/dbraw/zinc/92/94/89/508929489.db2.gz BFTSJVRXMHQRBK-ZDUSSCGKSA-N 1 0 365.430 2.894 20 5 FFBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000150979570 508934702 /nfs/dbraw/zinc/93/47/02/508934702.db2.gz ODGMJEIEJNKIGU-LLVKDONJSA-N 1 0 372.263 2.746 20 5 FFBDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000160270865 508963636 /nfs/dbraw/zinc/96/36/36/508963636.db2.gz NOHNTHXBNOOJPK-MRXNPFEDSA-N 1 0 362.474 2.949 20 5 FFBDRO C[C@H](CNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)[NH+]1CCC(C)CC1 ZINC000125337101 508967507 /nfs/dbraw/zinc/96/75/07/508967507.db2.gz YLFQEVPKQYAUHF-OAHLLOKOSA-N 1 0 360.458 2.783 20 5 FFBDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000155471793 509008084 /nfs/dbraw/zinc/00/80/84/509008084.db2.gz OBROWQRHUDWZHE-ZDUSSCGKSA-N 1 0 369.425 2.527 20 5 FFBDRO C[C@H](Nc1ccc(C(=O)N2CCC[NH2+]CC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000160820783 509037249 /nfs/dbraw/zinc/03/72/49/509037249.db2.gz KIEGIWMHLQVLGV-AWEZNQCLSA-N 1 0 369.425 2.598 20 5 FFBDRO C[NH+](C)CCCC1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000132703890 509064028 /nfs/dbraw/zinc/06/40/28/509064028.db2.gz AZXCFQDHDMIAHK-UHFFFAOYSA-N 1 0 364.402 2.697 20 5 FFBDRO C[NH+](C)[C@H](CNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)c1ccccc1 ZINC000161136299 509076162 /nfs/dbraw/zinc/07/61/62/509076162.db2.gz ZUHJXMQTSAPRNL-LJQANCHMSA-N 1 0 368.437 2.965 20 5 FFBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)Cc3ccc([N+](=O)[O-])cc3Cl)CC[C@@H]21 ZINC000155842439 509080427 /nfs/dbraw/zinc/08/04/27/509080427.db2.gz GJEJBNOHHNBZGN-BBRMVZONSA-N 1 0 351.834 2.733 20 5 FFBDRO CSCC[C@H](C)[N@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000126604970 509101452 /nfs/dbraw/zinc/10/14/52/509101452.db2.gz MQRSOHGBAUZDSV-LBPRGKRZSA-N 1 0 353.444 2.966 20 5 FFBDRO O=[N+]([O-])c1ccc(OCCC[NH+]2CCC([C@H](O)C(F)(F)F)CC2)cc1 ZINC000161347905 509105461 /nfs/dbraw/zinc/10/54/61/509105461.db2.gz OTJZPLGNMKZVGR-HNNXBMFYSA-N 1 0 362.348 2.999 20 5 FFBDRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000126672458 509110897 /nfs/dbraw/zinc/11/08/97/509110897.db2.gz JMAQVGOSVLKZEB-LBPRGKRZSA-N 1 0 372.450 2.932 20 5 FFBDRO CC(C)(C)Oc1cc(N2CC[NH+](CC(C)(C)O)CC2)ccc1[N+](=O)[O-] ZINC000133237691 509136243 /nfs/dbraw/zinc/13/62/43/509136243.db2.gz RXVPADKXYVZJAY-UHFFFAOYSA-N 1 0 351.447 2.665 20 5 FFBDRO Cc1c(CC(=O)NC2CC[NH+](Cc3ccccn3)CC2)cccc1[N+](=O)[O-] ZINC000161955119 509166122 /nfs/dbraw/zinc/16/61/22/509166122.db2.gz WNVHRZSASOTJJF-UHFFFAOYSA-N 1 0 368.437 2.622 20 5 FFBDRO CC(C)=CCC[C@H](C)[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000161959875 509166533 /nfs/dbraw/zinc/16/65/33/509166533.db2.gz VWVWFMNKOLRVCA-AWEZNQCLSA-N 1 0 355.460 2.598 20 5 FFBDRO COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000162415918 509219095 /nfs/dbraw/zinc/21/90/95/509219095.db2.gz YWQODZBZTUEHSH-CABCVRRESA-N 1 0 363.414 2.553 20 5 FFBDRO COCC[N@H+](C)CCCC1CCN(c2ccc([N+](=O)[O-])c(C)n2)CC1 ZINC000162588708 509259721 /nfs/dbraw/zinc/25/97/21/509259721.db2.gz XMHGYVZRYANTBY-UHFFFAOYSA-N 1 0 350.463 2.873 20 5 FFBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000172831505 509260944 /nfs/dbraw/zinc/26/09/44/509260944.db2.gz CCRCEJKFRBYMPV-HNNXBMFYSA-N 1 0 371.441 2.727 20 5 FFBDRO CCc1ccc(C(=O)NCC2([NH+]3CCCC3)CCOCC2)cc1[N+](=O)[O-] ZINC000266973566 509285476 /nfs/dbraw/zinc/28/54/76/509285476.db2.gz XKSGRMYJEJIPMM-UHFFFAOYSA-N 1 0 361.442 2.532 20 5 FFBDRO CC[NH+]1CCN([C@@H]2CCN(c3ccc([N+](=O)[O-])c(C(F)(F)F)c3)C2)CC1 ZINC000266987098 509294633 /nfs/dbraw/zinc/29/46/33/509294633.db2.gz SOZCILFKFQYHPU-CQSZACIVSA-N 1 0 372.391 2.830 20 5 FFBDRO COc1cccc([C@H](CNC(=O)c2cc(C)ccc2[N+](=O)[O-])[NH+](C)C)c1 ZINC000172981549 509335264 /nfs/dbraw/zinc/33/52/64/509335264.db2.gz CAOXZJNNSBGOIV-SFHVURJKSA-N 1 0 357.410 2.945 20 5 FFBDRO O=[N+]([O-])c1cc(CN2CC[NH+](C3CCCCC3)CC2)c2c(c1)COCO2 ZINC000163147669 509345494 /nfs/dbraw/zinc/34/54/94/509345494.db2.gz VCMFDAZWTQZQRT-UHFFFAOYSA-N 1 0 361.442 2.912 20 5 FFBDRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173028600 509357298 /nfs/dbraw/zinc/35/72/98/509357298.db2.gz HFJQKRUGIIZHJD-UHFFFAOYSA-N 1 0 359.401 2.867 20 5 FFBDRO C[C@@H]1C[C@H]([N@H+](C)CCn2ccc([N+](=O)[O-])n2)CCN1Cc1ccccc1 ZINC000176250985 509402226 /nfs/dbraw/zinc/40/22/26/509402226.db2.gz KBFZPODSEAHQJZ-SJLPKXTDSA-N 1 0 357.458 2.776 20 5 FFBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000179367581 509405021 /nfs/dbraw/zinc/40/50/21/509405021.db2.gz VEOXTEQXXPKOMN-ACJLOTCBSA-N 1 0 356.426 2.561 20 5 FFBDRO C[NH+](C)CC1(CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CCCC1 ZINC000185904912 509418068 /nfs/dbraw/zinc/41/80/68/509418068.db2.gz JFLVRBAFQIYGKX-UHFFFAOYSA-N 1 0 358.442 2.857 20 5 FFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000264282625 509432363 /nfs/dbraw/zinc/43/23/63/509432363.db2.gz IOLULUWQVABXRN-IBGZPJMESA-N 1 0 367.449 2.818 20 5 FFBDRO C[C@H]1C[C@@H](N(C)C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000267428318 509476702 /nfs/dbraw/zinc/47/67/02/509476702.db2.gz CCYFAPWRIXRXOA-JQWIXIFHSA-N 1 0 370.247 2.912 20 5 FFBDRO O=C(C[NH2+][C@H]1CCCc2c(O)cccc21)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000192354467 509478444 /nfs/dbraw/zinc/47/84/44/509478444.db2.gz YPSUSIMBJQUUNV-KRWDZBQOSA-N 1 0 367.405 2.857 20 5 FFBDRO CN(CC[N@H+](C)C1CC1)C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000192383526 509495924 /nfs/dbraw/zinc/49/59/24/509495924.db2.gz AKKJBJYNDPXQFY-UHFFFAOYSA-N 1 0 356.220 2.524 20 5 FFBDRO COC(=O)c1cnc(NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000189300284 509508221 /nfs/dbraw/zinc/50/82/21/509508221.db2.gz AFXSSMUGPFQFLL-INIZCTEOSA-N 1 0 370.409 2.853 20 5 FFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000248843948 509508838 /nfs/dbraw/zinc/50/88/38/509508838.db2.gz OBVFGPVNMNDHLX-FZKQIMNGSA-N 1 0 357.385 2.984 20 5 FFBDRO CCC[NH2+]CCNC(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000236842959 509517103 /nfs/dbraw/zinc/51/71/03/509517103.db2.gz AMJLQAWJAPHAQZ-GASCZTMLSA-N 1 0 362.474 2.807 20 5 FFBDRO CC[NH2+]CC1CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 ZINC000236855777 509518718 /nfs/dbraw/zinc/51/87/18/509518718.db2.gz FIQXBTKVSLKBTH-UHFFFAOYSA-N 1 0 360.458 2.657 20 5 FFBDRO C[C@H]1CCCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)[C@H]1C[NH3+] ZINC000165916231 509588827 /nfs/dbraw/zinc/58/88/27/509588827.db2.gz FTMIYZIVRKREDF-ZANVPECISA-N 1 0 356.220 2.557 20 5 FFBDRO COC(=O)[C@@H]1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H]1C ZINC000249119395 509612119 /nfs/dbraw/zinc/61/21/19/509612119.db2.gz SMTIKIQJZILMKB-XJKSGUPXSA-N 1 0 373.409 2.923 20 5 FFBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CCC(CCC[N@H+](C)CCOC)CC1 ZINC000192734356 509620754 /nfs/dbraw/zinc/62/07/54/509620754.db2.gz XACZXTKGGVZFSX-UHFFFAOYSA-N 1 0 367.494 2.694 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C)c1nnc2ccccn21 ZINC000192813083 509655698 /nfs/dbraw/zinc/65/56/98/509655698.db2.gz MGTYZBCPGSEOIA-ZDUSSCGKSA-N 1 0 368.397 2.625 20 5 FFBDRO CC(C)C[C@H]1OCCC[C@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000186344318 509661089 /nfs/dbraw/zinc/66/10/89/509661089.db2.gz IUIBMPHRDOCJTB-IAGOWNOFSA-N 1 0 370.471 2.552 20 5 FFBDRO CN1CCN(C)[C@@H](C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000264767519 509692299 /nfs/dbraw/zinc/69/22/99/509692299.db2.gz QETRGTNZSGRSPD-INIZCTEOSA-N 1 0 360.483 2.659 20 5 FFBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000267986985 509704037 /nfs/dbraw/zinc/70/40/37/509704037.db2.gz PKINABFNJJCWDC-UKRRQHHQSA-N 1 0 369.487 2.548 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)c1C ZINC000173668515 509708594 /nfs/dbraw/zinc/70/85/94/509708594.db2.gz AOIUTEMNVPELPV-OAHLLOKOSA-N 1 0 369.487 2.707 20 5 FFBDRO C[N@H+](CCCNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)Cc1ccccc1 ZINC000180013230 509710183 /nfs/dbraw/zinc/71/01/83/509710183.db2.gz RRELYULUAORAJH-UHFFFAOYSA-N 1 0 371.393 2.575 20 5 FFBDRO O=C1[C@@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCN1CC(F)(F)F ZINC000192990652 509727715 /nfs/dbraw/zinc/72/77/15/509727715.db2.gz SSFZYSHVYCAKOV-KBPBESRZSA-N 1 0 357.332 2.725 20 5 FFBDRO COc1cc(C[N@@H+]2CCCC[C@@H]2[C@H](C)O)c([N+](=O)[O-])cc1OCC(F)F ZINC000180058755 509729506 /nfs/dbraw/zinc/72/95/06/509729506.db2.gz JDTOHROUYBIIBZ-WCQYABFASA-N 1 0 374.384 2.983 20 5 FFBDRO CCOC[C@H]([NH2+][C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C(C)C ZINC000189799304 509758373 /nfs/dbraw/zinc/75/83/73/509758373.db2.gz NOBWNJWVSRMKNM-DOMZBBRYSA-N 1 0 353.419 2.581 20 5 FFBDRO [NH3+][C@@H]1CCCCCC[C@H]1C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000237886755 509762481 /nfs/dbraw/zinc/76/24/81/509762481.db2.gz HACYVKKKVQIEDB-HZPDHXFCSA-N 1 0 360.458 2.541 20 5 FFBDRO COc1cc(C[N@@H+]2CCC[C@H]2C[C@H](C)O)c([N+](=O)[O-])cc1OCC(F)F ZINC000180170748 509792033 /nfs/dbraw/zinc/79/20/33/509792033.db2.gz UZUJYEKQINDYBV-AAEUAGOBSA-N 1 0 374.384 2.983 20 5 FFBDRO COCCOCCC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000264989056 509811549 /nfs/dbraw/zinc/81/15/49/509811549.db2.gz WMYODVYWNOYDIF-UHFFFAOYSA-N 1 0 351.428 2.861 20 5 FFBDRO COc1cc(C[N@H+](C)C[C@@H]2CCC[C@@H]2O)c([N+](=O)[O-])cc1OCC(F)F ZINC000180259897 509837757 /nfs/dbraw/zinc/83/77/57/509837757.db2.gz WSBZJWCEBIFDBD-FZMZJTMJSA-N 1 0 374.384 2.840 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1SC ZINC000177073649 509854324 /nfs/dbraw/zinc/85/43/24/509854324.db2.gz VURIHQHJSWRKDB-QWRGUYRKSA-N 1 0 365.455 2.680 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1SC ZINC000177073674 509855225 /nfs/dbraw/zinc/85/52/25/509855225.db2.gz VURIHQHJSWRKDB-WDEREUQCSA-N 1 0 365.455 2.680 20 5 FFBDRO CCC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])C1 ZINC000190028601 509893984 /nfs/dbraw/zinc/89/39/84/509893984.db2.gz BHHJQEADZYNKQZ-OAHLLOKOSA-N 1 0 369.487 2.564 20 5 FFBDRO COc1cccc(CN(C)C(=O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000180413937 509913577 /nfs/dbraw/zinc/91/35/77/509913577.db2.gz HIMJQMPFPXXJCO-AWEZNQCLSA-N 1 0 357.410 2.913 20 5 FFBDRO C[C@H]([NH2+]CC(=O)NC(=O)N[C@@H]1CCCC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000180418926 509917247 /nfs/dbraw/zinc/91/72/47/509917247.db2.gz XAMDHCMZXVOLFF-DVOMOZLQSA-N 1 0 362.430 2.650 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCCC[C@@H]2c2cc3ccccc3[nH]2)c1 ZINC000245446675 509943034 /nfs/dbraw/zinc/94/30/34/509943034.db2.gz LILSXLFDWVYFNM-VQIMIIECSA-N 1 0 369.425 2.861 20 5 FFBDRO COCC[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000171128091 509958533 /nfs/dbraw/zinc/95/85/33/509958533.db2.gz KWEMCXHEOYJZRO-UHFFFAOYSA-N 1 0 373.409 2.695 20 5 FFBDRO CC[NH+](CC)[C@H](CNc1ncc(C(=O)OC)cc1[N+](=O)[O-])c1ccco1 ZINC000190170367 509983389 /nfs/dbraw/zinc/98/33/89/509983389.db2.gz BDKKXPLHOSMVFU-CQSZACIVSA-N 1 0 362.386 2.864 20 5 FFBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N(C)C2CC[NH+](C)CC2)CC1 ZINC000171222523 510017808 /nfs/dbraw/zinc/01/78/08/510017808.db2.gz CZLKAFNOQXBLEF-UHFFFAOYSA-N 1 0 374.485 2.997 20 5 FFBDRO C[C@@H]1CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)[C@@H](C[NH3+])C1 ZINC000261759756 510054281 /nfs/dbraw/zinc/05/42/81/510054281.db2.gz JQJAEHONNQERKC-HZPDHXFCSA-N 1 0 363.461 2.741 20 5 FFBDRO C[C@H]1CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)[C@H](C[NH3+])C1 ZINC000261759750 510054439 /nfs/dbraw/zinc/05/44/39/510054439.db2.gz JQJAEHONNQERKC-HOTGVXAUSA-N 1 0 363.461 2.741 20 5 FFBDRO CN(CC(=O)NC1CC[NH+](C2CCCC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000177445027 510063536 /nfs/dbraw/zinc/06/35/36/510063536.db2.gz LQSFCHQRYQABOA-UHFFFAOYSA-N 1 0 360.458 2.554 20 5 FFBDRO Cn1ccnc1-c1cccc(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)c1 ZINC000180779387 510103411 /nfs/dbraw/zinc/10/34/11/510103411.db2.gz QTDGWYNSPAKUQN-UHFFFAOYSA-N 1 0 366.333 2.976 20 5 FFBDRO CCOC(=O)c1ccnc(NCC2(C[NH+](C)C)CCCC2)c1[N+](=O)[O-] ZINC000184070490 510116270 /nfs/dbraw/zinc/11/62/70/510116270.db2.gz JRPQADOGZFJEJM-UHFFFAOYSA-N 1 0 350.419 2.700 20 5 FFBDRO C[C@@H]1CCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000261927677 510117856 /nfs/dbraw/zinc/11/78/56/510117856.db2.gz ZOZVMLFHMDYKSR-YPMHNXCESA-N 1 0 355.822 2.603 20 5 FFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000265582491 510126642 /nfs/dbraw/zinc/12/66/42/510126642.db2.gz PVWUZZUEXLJZTO-HNNXBMFYSA-N 1 0 351.834 2.878 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000193947938 510143122 /nfs/dbraw/zinc/14/31/22/510143122.db2.gz JCTBIILOVMSSRH-KBPBESRZSA-N 1 0 364.446 2.523 20 5 FFBDRO CCOc1ccc(NC(=O)CN2CCSC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000190459894 510143132 /nfs/dbraw/zinc/14/31/32/510143132.db2.gz KGFNLXQDDUSBIU-GFCCVEGCSA-N 1 0 353.444 2.617 20 5 FFBDRO CC[NH+](CC)CCCC1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC1 ZINC000180886577 510165037 /nfs/dbraw/zinc/16/50/37/510165037.db2.gz SCBTYJMSNFSQIQ-UHFFFAOYSA-N 1 0 364.446 2.670 20 5 FFBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000174536701 510165116 /nfs/dbraw/zinc/16/51/16/510165116.db2.gz AILAKFJBCPFXPW-INIZCTEOSA-N 1 0 374.485 2.611 20 5 FFBDRO O=C(NCc1cccc([N+](=O)[O-])c1)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000194107125 510218423 /nfs/dbraw/zinc/21/84/23/510218423.db2.gz SUTFAQGUYXPPKH-GOSISDBHSA-N 1 0 368.437 2.916 20 5 FFBDRO COc1cc(C[NH2+]CCc2nn(C)c3ccccc23)c([N+](=O)[O-])cc1OC ZINC000187391628 510239489 /nfs/dbraw/zinc/23/94/89/510239489.db2.gz BYKOMQCBYXNTBU-UHFFFAOYSA-N 1 0 370.409 2.831 20 5 FFBDRO O=C1[C@@H](N2CCC[C@@H](C(F)(F)F)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000246045936 510263095 /nfs/dbraw/zinc/26/30/95/510263095.db2.gz UCDAHWZWXIJJCD-RISCZKNCSA-N 1 0 357.332 2.974 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@H]2c2ccc(Cl)cc2)c1 ZINC000174721317 510269063 /nfs/dbraw/zinc/26/90/63/510269063.db2.gz MVZOVJDKHONBLT-HOTGVXAUSA-N 1 0 350.806 2.643 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CC[C@@](O)(C(F)(F)F)C3)o2)c1 ZINC000174751500 510292610 /nfs/dbraw/zinc/29/26/10/510292610.db2.gz VOVXBASBBIUBLF-HNNXBMFYSA-N 1 0 371.315 2.791 20 5 FFBDRO CCO[C@H]1C[C@H](O)C12CC[NH+](CCCOc1ccc([N+](=O)[O-])cc1)CC2 ZINC000265922836 510301544 /nfs/dbraw/zinc/30/15/44/510301544.db2.gz CDYHBVVPNCZSOU-ROUUACIJSA-N 1 0 364.442 2.616 20 5 FFBDRO COc1cc(C[NH2+][C@H](CC(N)=O)C2CCCCC2)c([N+](=O)[O-])cc1F ZINC000184405670 510309364 /nfs/dbraw/zinc/30/93/64/510309364.db2.gz KCQXCTYQIGENRC-CQSZACIVSA-N 1 0 353.394 2.656 20 5 FFBDRO CC(C)[C@H]([NH3+])CNC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000269251150 510309806 /nfs/dbraw/zinc/30/98/06/510309806.db2.gz GFVDHLPZDOVUCB-DZGCQCFKSA-N 1 0 371.441 2.876 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@@H]1C[NH+]1CCCC1 ZINC000171708295 510323116 /nfs/dbraw/zinc/32/31/16/510323116.db2.gz HETRIHGBHVCUMD-QGZVFWFLSA-N 1 0 360.458 2.792 20 5 FFBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NC[C@H]3CC[N@H+](C)C3)cc2[N+](=O)[O-])C1 ZINC000246154451 510325285 /nfs/dbraw/zinc/32/52/85/510325285.db2.gz KQLWXKXSDWELGB-BZUAXINKSA-N 1 0 374.485 2.759 20 5 FFBDRO Cc1ccc([C@H](C)[NH2+]CCN2C(=O)c3ccccc3C2=O)cc1[N+](=O)[O-] ZINC000177966916 510350746 /nfs/dbraw/zinc/35/07/46/510350746.db2.gz CZMRRVNSPOGSCN-ZDUSSCGKSA-N 1 0 353.378 2.850 20 5 FFBDRO C[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(-c2cccnc2)cc1 ZINC000181323430 510356628 /nfs/dbraw/zinc/35/66/28/510356628.db2.gz JBTVCBADPPEYNY-AUUYWEPGSA-N 1 0 367.409 2.565 20 5 FFBDRO CCc1n[nH]c(C(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)c1[N+](=O)[O-] ZINC000171809337 510384206 /nfs/dbraw/zinc/38/42/06/510384206.db2.gz MHNRJQVSUFOTRZ-LBPRGKRZSA-N 1 0 359.430 2.740 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N3CC[NH2+][C@H](C)[C@H]3C)cc2[N+](=O)[O-])CC1 ZINC000262745396 510393303 /nfs/dbraw/zinc/39/33/03/510393303.db2.gz JLCAYXJMTURZAP-HUUCEWRRSA-N 1 0 360.458 2.654 20 5 FFBDRO Nc1c(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)cccc1[N+](=O)[O-] ZINC000178182822 510475833 /nfs/dbraw/zinc/47/58/33/510475833.db2.gz LHCJRGXKSFHAGY-ZDUSSCGKSA-N 1 0 374.466 2.881 20 5 FFBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N[C@@H]3CC[NH2+]C[C@H]3C)cc2[N+](=O)[O-])C1 ZINC000262918266 510476343 /nfs/dbraw/zinc/47/63/43/510476343.db2.gz ZCDAIAGGGOUBAT-JYYAWHABSA-N 1 0 374.485 2.805 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000175138557 510500502 /nfs/dbraw/zinc/50/05/02/510500502.db2.gz IXIFYVGHZIQIKA-OAHLLOKOSA-N 1 0 369.487 2.707 20 5 FFBDRO COc1cc(C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)ccc1[N+](=O)[O-] ZINC000181673193 510532247 /nfs/dbraw/zinc/53/22/47/510532247.db2.gz AAGRVIRNFKFMGS-UKRRQHHQSA-N 1 0 361.442 2.986 20 5 FFBDRO CC(C)[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000266425640 510579261 /nfs/dbraw/zinc/57/92/61/510579261.db2.gz JPLFJBATUXZQRO-JKSUJKDBSA-N 1 0 352.822 2.793 20 5 FFBDRO COc1cc(C(=O)NCCCCNc2ccccn2)cc([N+](=O)[O-])c1C ZINC000191278517 510583676 /nfs/dbraw/zinc/58/36/76/510583676.db2.gz HDMQMHUCZGKICZ-UHFFFAOYSA-N 1 0 358.398 2.929 20 5 FFBDRO COC(=O)c1cccc(NC(=O)C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000181819970 510610945 /nfs/dbraw/zinc/61/09/45/510610945.db2.gz SCHGJNDYDDVRPJ-CYBMUJFWSA-N 1 0 371.393 2.979 20 5 FFBDRO Cc1ccc(C(=O)NC2CC[NH+](Cc3cccnc3)CC2)cc1[N+](=O)[O-] ZINC000172247068 510623941 /nfs/dbraw/zinc/62/39/41/510623941.db2.gz PBGOXRXLAHQXBV-UHFFFAOYSA-N 1 0 354.410 2.693 20 5 FFBDRO C[C@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCC[C@@H]([NH3+])C3)cc2[N+](=O)[O-])C1 ZINC000191374528 510629540 /nfs/dbraw/zinc/62/95/40/510629540.db2.gz VXAZRCVZYVQTJJ-OFQRWUPVSA-N 1 0 360.458 2.640 20 5 FFBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)cccc1[N+](=O)[O-] ZINC000270046931 510651733 /nfs/dbraw/zinc/65/17/33/510651733.db2.gz UBVRZXCSLRIJCX-IXKJSCDLSA-N 1 0 359.426 2.777 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000181908846 510653585 /nfs/dbraw/zinc/65/35/85/510653585.db2.gz CBWLAQRPRGMQBV-MSOLQXFVSA-N 1 0 356.422 2.899 20 5 FFBDRO COc1ccc(OCC[N@@H+]2CCCC3(CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000266555468 510656353 /nfs/dbraw/zinc/65/63/53/510656353.db2.gz VSLHYMJEVKGRJU-UHFFFAOYSA-N 1 0 350.415 2.875 20 5 FFBDRO C[NH+]1CCC([C@H]2CCN(C(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)C2)CC1 ZINC000270079212 510664480 /nfs/dbraw/zinc/66/44/80/510664480.db2.gz IHPLGOAXFMVLFM-HNNXBMFYSA-N 1 0 356.426 2.880 20 5 FFBDRO O=C(Cn1ccc([N+](=O)[O-])n1)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000195125332 510679846 /nfs/dbraw/zinc/67/98/46/510679846.db2.gz ABIBRQRGAKWZRW-UHFFFAOYSA-N 1 0 357.414 2.806 20 5 FFBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)C1 ZINC000246876516 510722549 /nfs/dbraw/zinc/72/25/49/510722549.db2.gz ICNIFBROMZCDNS-UONOGXRCSA-N 1 0 351.472 2.876 20 5 FFBDRO CN1CC[C@H]([NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@@H]1c1ccccc1 ZINC000270235556 510728479 /nfs/dbraw/zinc/72/84/79/510728479.db2.gz BEGHVEQKPREZPX-OALUTQOASA-N 1 0 369.421 2.996 20 5 FFBDRO COc1ccccc1C(C)(C)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182152425 510784175 /nfs/dbraw/zinc/78/41/75/510784175.db2.gz SWOUXDJFIQJOAH-CQSZACIVSA-N 1 0 360.410 2.868 20 5 FFBDRO CC[N@@H+](Cc1ccc(OC)cc1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182215016 510816699 /nfs/dbraw/zinc/81/66/99/510816699.db2.gz ZEGQJCDPXCJBQH-MRXNPFEDSA-N 1 0 360.410 2.865 20 5 FFBDRO Cc1c(Br)cc(C(=O)N2CC[NH+]3CCC2CC3)cc1[N+](=O)[O-] ZINC000188610032 510843017 /nfs/dbraw/zinc/84/30/17/510843017.db2.gz LNTLVHNDQCGSHG-UHFFFAOYSA-N 1 0 368.231 2.586 20 5 FFBDRO Cn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000275357838 510882477 /nfs/dbraw/zinc/88/24/77/510882477.db2.gz APMZEHZEDXABJP-GJZGRUSLSA-N 1 0 350.806 2.992 20 5 FFBDRO COC(=O)Cc1ccc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c([N+](=O)[O-])c1 ZINC000297354289 510914421 /nfs/dbraw/zinc/91/44/21/510914421.db2.gz BRYJFFCKROFKSX-NVXWUHKLSA-N 1 0 373.453 2.763 20 5 FFBDRO O=C(NCCCCC[NH+]1CCCC1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000294072171 510946356 /nfs/dbraw/zinc/94/63/56/510946356.db2.gz ZXORQDOIDYRHFM-UHFFFAOYSA-N 1 0 371.441 2.776 20 5 FFBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1SCCOC ZINC000270731428 510966775 /nfs/dbraw/zinc/96/67/75/510966775.db2.gz UNFPBUAIXUHXID-CYBMUJFWSA-N 1 0 369.487 2.793 20 5 FFBDRO C[C@@H]([NH2+]CCS(=O)(=O)CCc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000282415402 510967737 /nfs/dbraw/zinc/96/77/37/510967737.db2.gz IGGMTNNHEIUURC-OAHLLOKOSA-N 1 0 362.451 2.903 20 5 FFBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000361067449 510988274 /nfs/dbraw/zinc/98/82/74/510988274.db2.gz NADYXNLPAFHAKC-MNOVXSKESA-N 1 0 355.341 2.553 20 5 FFBDRO CCOc1ccc(C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000361171832 511007031 /nfs/dbraw/zinc/00/70/31/511007031.db2.gz ZVVDSLGABXOXRX-MRXNPFEDSA-N 1 0 361.442 2.797 20 5 FFBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)cc1 ZINC000286515336 511027421 /nfs/dbraw/zinc/02/74/21/511027421.db2.gz NACHZEYTDQXRCR-DOMZBBRYSA-N 1 0 362.348 2.856 20 5 FFBDRO C[C@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@H](C2CC2)O1 ZINC000279366756 511058035 /nfs/dbraw/zinc/05/80/35/511058035.db2.gz RLZXPHZVDIUSFW-MEDUHNTESA-N 1 0 351.378 2.562 20 5 FFBDRO C[C@@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@H](C2CC2)O1 ZINC000279366743 511058682 /nfs/dbraw/zinc/05/86/82/511058682.db2.gz RLZXPHZVDIUSFW-BDJLRTHQSA-N 1 0 351.378 2.562 20 5 FFBDRO CCC[N@H+](CCO)Cc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000271032839 511063919 /nfs/dbraw/zinc/06/39/19/511063919.db2.gz IXRJPAAQORGJPR-UHFFFAOYSA-N 1 0 366.336 2.749 20 5 FFBDRO O=C(CC[N@@H+]1CCC[C@@H](c2ccncn2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000361653695 511076225 /nfs/dbraw/zinc/07/62/25/511076225.db2.gz VCCCULUWYVSRNN-CQSZACIVSA-N 1 0 355.398 2.593 20 5 FFBDRO C[C@@H]([NH2+]C1(CNC(=O)c2nn(C)cc2[N+](=O)[O-])CCCC1)c1ccccc1 ZINC000271404316 511193422 /nfs/dbraw/zinc/19/34/22/511193422.db2.gz NIZPAPPJJIUETI-CQSZACIVSA-N 1 0 371.441 2.722 20 5 FFBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)C1 ZINC000294908560 511217025 /nfs/dbraw/zinc/21/70/25/511217025.db2.gz JVAWGKMABHYBPY-ZDUSSCGKSA-N 1 0 366.437 2.604 20 5 FFBDRO COc1ccc(C[NH2+]Cc2ccc(NC(=O)N(C)C)cc2)cc1[N+](=O)[O-] ZINC000279822093 511229889 /nfs/dbraw/zinc/22/98/89/511229889.db2.gz CVYASBBZUYSNPL-UHFFFAOYSA-N 1 0 358.398 2.987 20 5 FFBDRO COc1cc(C[NH2+][C@H](C)CC(C)(C)O)c([N+](=O)[O-])cc1OCC(F)F ZINC000295011382 511253018 /nfs/dbraw/zinc/25/30/18/511253018.db2.gz JMEVWHQWSHDZJK-SNVBAGLBSA-N 1 0 362.373 2.886 20 5 FFBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H](CCO)c1ccccc1 ZINC000283255740 511296474 /nfs/dbraw/zinc/29/64/74/511296474.db2.gz KHKBZKORZDRQBA-KRWDZBQOSA-N 1 0 357.410 2.979 20 5 FFBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H](CCO)c1ccccc1 ZINC000283255750 511296980 /nfs/dbraw/zinc/29/69/80/511296980.db2.gz KHKBZKORZDRQBA-QGZVFWFLSA-N 1 0 357.410 2.979 20 5 FFBDRO Cc1c([N+](=O)[O-])cc(C(=O)NC2CC[NH+](C3CCC3)CC2)cc1[N+](=O)[O-] ZINC000298497848 511306089 /nfs/dbraw/zinc/30/60/89/511306089.db2.gz SRLNTXCIPAMFOU-UHFFFAOYSA-N 1 0 362.386 2.558 20 5 FFBDRO CCOc1cc(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)ccc1[N+](=O)[O-] ZINC000365188765 511308098 /nfs/dbraw/zinc/30/80/98/511308098.db2.gz GAIIPLKMWKIBAR-GPMSIDNRSA-N 1 0 363.458 2.677 20 5 FFBDRO C[N@H+]1CC=C(CNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000271772382 511318295 /nfs/dbraw/zinc/31/82/95/511318295.db2.gz ALDWCVBRMCRLOH-UHFFFAOYSA-N 1 0 358.423 2.710 20 5 FFBDRO Cn1cc(C[N@@H+]2CC[C@H](O)CC(C)(C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000295209745 511322485 /nfs/dbraw/zinc/32/24/85/511322485.db2.gz LKWDUESDBNRPDP-KRWDZBQOSA-N 1 0 358.442 2.978 20 5 FFBDRO COc1cc(C[N@@H+]2CCC[C@@](C)(O)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000280096580 511333973 /nfs/dbraw/zinc/33/39/73/511333973.db2.gz OULBBORONVCRMF-QGZVFWFLSA-N 1 0 374.384 2.984 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NCc2cccc(C[NH+](C)C)c2)c1 ZINC000283390320 511349508 /nfs/dbraw/zinc/34/95/08/511349508.db2.gz GMSDTGJJTDUEDZ-UHFFFAOYSA-N 1 0 357.410 2.985 20 5 FFBDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000283511157 511395435 /nfs/dbraw/zinc/39/54/35/511395435.db2.gz PTWIGPQMXZFAEK-LBPRGKRZSA-N 1 0 352.410 2.701 20 5 FFBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C1 ZINC000295432964 511404116 /nfs/dbraw/zinc/40/41/16/511404116.db2.gz WTODFJJNQHNLBD-AWEZNQCLSA-N 1 0 371.441 2.789 20 5 FFBDRO Cc1c([C@@H](C)[NH2+]C[C@@](O)(c2nccn2C)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000272030252 511406362 /nfs/dbraw/zinc/40/63/62/511406362.db2.gz DYOLMWOQPWARFH-IAQYHMDHSA-N 1 0 372.347 2.737 20 5 FFBDRO CCCN1CC[NH+](C2CCN(c3ccc([N+](=O)[O-])c(OC)c3)CC2)CC1 ZINC000363262531 511450200 /nfs/dbraw/zinc/45/02/00/511450200.db2.gz DPHGDGIFIRDKIF-UHFFFAOYSA-N 1 0 362.474 2.600 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000283664730 511454435 /nfs/dbraw/zinc/45/44/35/511454435.db2.gz FBILQPBQHUARAQ-OAHLLOKOSA-N 1 0 361.442 2.942 20 5 FFBDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000363271884 511455111 /nfs/dbraw/zinc/45/51/11/511455111.db2.gz VRSWUOXASQTPPP-INIZCTEOSA-N 1 0 354.410 2.524 20 5 FFBDRO Cc1ccc([C@@H](C)[NH2+]C[C@](O)(c2nccn2C)C(F)(F)F)cc1[N+](=O)[O-] ZINC000272184779 511458033 /nfs/dbraw/zinc/45/80/33/511458033.db2.gz YQXLUUGBVPZGCI-ABAIWWIYSA-N 1 0 372.347 2.737 20 5 FFBDRO Cc1ccc([C@H](C)[NH2+]C[C@@](O)(c2nccn2C)C(F)(F)F)cc1[N+](=O)[O-] ZINC000272184786 511458683 /nfs/dbraw/zinc/45/86/83/511458683.db2.gz YQXLUUGBVPZGCI-XHDPSFHLSA-N 1 0 372.347 2.737 20 5 FFBDRO COC(=O)c1cc(C)nc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c1[N+](=O)[O-] ZINC000283743328 511484568 /nfs/dbraw/zinc/48/45/68/511484568.db2.gz JNEKZVBJOHZLGH-KGLIPLIRSA-N 1 0 362.430 2.536 20 5 FFBDRO CCOc1cc(C[NH2+][C@H](C(N)=O)[C@@H](C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000292152790 511486215 /nfs/dbraw/zinc/48/62/15/511486215.db2.gz KHZNKVFTJLKMFZ-UGSOOPFHSA-N 1 0 357.410 2.741 20 5 FFBDRO C[C@@H]1CN(C(=O)NCCc2cccc([N+](=O)[O-])c2)CC[N@@H+](C2CCC2)C1 ZINC000292180739 511495587 /nfs/dbraw/zinc/49/55/87/511495587.db2.gz DXVYAXAAXPDTHA-HNNXBMFYSA-N 1 0 360.458 2.653 20 5 FFBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292245553 511520114 /nfs/dbraw/zinc/52/01/14/511520114.db2.gz XFSUQIDGMPBMKH-PXAZEXFGSA-N 1 0 366.849 2.603 20 5 FFBDRO Cc1cc(OCC(=O)NCc2cccc(C[NH+](C)C)c2)ccc1[N+](=O)[O-] ZINC000280679165 511560575 /nfs/dbraw/zinc/56/05/75/511560575.db2.gz YMNKVYVRPYTACE-UHFFFAOYSA-N 1 0 357.410 2.660 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000296013409 511588351 /nfs/dbraw/zinc/58/83/51/511588351.db2.gz NQMXLOORRQLIRP-OLMNPRSZSA-N 1 0 359.426 2.779 20 5 FFBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000296215976 511658777 /nfs/dbraw/zinc/65/87/77/511658777.db2.gz CXJXRUGELZTOEC-WBVHZDCISA-N 1 0 359.426 2.500 20 5 FFBDRO NC(=O)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCCC[C@H]2O)c([N+](=O)[O-])c1 ZINC000280958086 511667463 /nfs/dbraw/zinc/66/74/63/511667463.db2.gz JKDRNTJSEKQQJC-JFIYKMOQSA-N 1 0 361.442 2.599 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](CCCO)Cc1ccccn1 ZINC000280985828 511677450 /nfs/dbraw/zinc/67/74/50/511677450.db2.gz LLFQPGSPFKQHMH-UHFFFAOYSA-N 1 0 372.425 2.511 20 5 FFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCC[C@](CO)(Cc3ccccc3)C2)c1 ZINC000365841947 511682127 /nfs/dbraw/zinc/68/21/27/511682127.db2.gz PAZKGTREQWRUQX-SFTDATJTSA-N 1 0 370.449 2.945 20 5 FFBDRO O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000363697486 511709365 /nfs/dbraw/zinc/70/93/65/511709365.db2.gz YTXVGDBSZSXONP-QGZVFWFLSA-N 1 0 372.469 2.508 20 5 FFBDRO CN(CC[N@H+](C)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccccc1 ZINC000303329867 511735153 /nfs/dbraw/zinc/73/51/53/511735153.db2.gz BMBOLIAZOHTVJG-IBGZPJMESA-N 1 0 368.437 2.768 20 5 FFBDRO O=C(C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000296435741 511742158 /nfs/dbraw/zinc/74/21/58/511742158.db2.gz WIZYIDBOEZJFPW-IUIKQTSFSA-N 1 0 365.817 2.734 20 5 FFBDRO CN1CC[NH+](CC2(C)CCN(c3ccc(F)cc3[N+](=O)[O-])CC2)CC1 ZINC000363763752 511752862 /nfs/dbraw/zinc/75/28/62/511752862.db2.gz GYOJKTOQPXARCA-UHFFFAOYSA-N 1 0 350.438 2.588 20 5 FFBDRO CC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)CC1 ZINC000284596750 511786999 /nfs/dbraw/zinc/78/69/99/511786999.db2.gz TYNRQGWVECZKHW-UHFFFAOYSA-N 1 0 370.247 2.880 20 5 FFBDRO C[NH+]1CCC([C@H]2CCN(C(=O)CCC(=O)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000296540162 511788244 /nfs/dbraw/zinc/78/82/44/511788244.db2.gz NUIZHUPBPLSRSJ-KRWDZBQOSA-N 1 0 373.453 2.748 20 5 FFBDRO O=C(NCC1CC[NH+](Cc2cccs2)CC1)c1ccc([N+](=O)[O-])cn1 ZINC000363871957 511820803 /nfs/dbraw/zinc/82/08/03/511820803.db2.gz JMBYAZIJEBQJCD-UHFFFAOYSA-N 1 0 360.439 2.693 20 5 FFBDRO C[N@@H+]1CC[C@H]2OCCN(Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)[C@H]2C1 ZINC000284734918 511843494 /nfs/dbraw/zinc/84/34/94/511843494.db2.gz WBRPACSDOKFBNM-DLBZAZTESA-N 1 0 374.466 2.623 20 5 FFBDRO C[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 ZINC000296751485 511882785 /nfs/dbraw/zinc/88/27/85/511882785.db2.gz PRHSETBBZDLXAI-LRDDRELGSA-N 1 0 361.354 2.594 20 5 FFBDRO COc1ccsc1[C@@H](C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000274592550 511883459 /nfs/dbraw/zinc/88/34/59/511883459.db2.gz NNSQMFPXHFGZMA-LLVKDONJSA-N 1 0 370.452 2.789 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC000281643878 511919001 /nfs/dbraw/zinc/91/90/01/511919001.db2.gz RHLAVWFOFXJCPO-MQVJKMGUSA-N 1 0 361.442 2.804 20 5 FFBDRO CCOC(=O)C[C@](C)([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)C(C)C ZINC000274742767 511926820 /nfs/dbraw/zinc/92/68/20/511926820.db2.gz KLSANAZMPGFYEF-SFHVURJKSA-N 1 0 366.414 2.919 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@]1(CO)CCCc2ccccc21 ZINC000281781367 511964475 /nfs/dbraw/zinc/96/44/75/511964475.db2.gz TUTMNLKUENDJNC-FQEVSTJZSA-N 1 0 369.421 2.655 20 5 FFBDRO [NH3+]C[C@@H]1CN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000281801036 511972030 /nfs/dbraw/zinc/97/20/30/511972030.db2.gz QBAWDGZYQNFDDX-KNJKRIMISA-N 1 0 351.406 2.809 20 5 FFBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000366382903 511991187 /nfs/dbraw/zinc/99/11/87/511991187.db2.gz BUXNARYJOAHEJI-RDJZCZTQSA-N 1 0 358.442 2.896 20 5 FFBDRO COc1ccc(OCC[NH2+][C@@H]2CCCC23CCOCC3)c([N+](=O)[O-])c1 ZINC000281885596 512000505 /nfs/dbraw/zinc/00/05/05/512000505.db2.gz AOFHQCQLBDGRCJ-QGZVFWFLSA-N 1 0 350.415 2.921 20 5 FFBDRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293601840 512022794 /nfs/dbraw/zinc/02/27/94/512022794.db2.gz VBXMPEWWCOEUHF-KBPBESRZSA-N 1 0 357.332 2.970 20 5 FFBDRO CC(C)(CCC[NH3+])NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000293661806 512043067 /nfs/dbraw/zinc/04/30/67/512043067.db2.gz LUCZQJWTZIJSRS-UHFFFAOYSA-N 1 0 362.199 2.744 20 5 FFBDRO O=C1Nc2ccccc2[C@@]12CC[N@@H+](CCOc1ccccc1[N+](=O)[O-])C2 ZINC000364434814 512109028 /nfs/dbraw/zinc/10/90/28/512109028.db2.gz OXUPGPCHRCQNAY-IBGZPJMESA-N 1 0 353.378 2.569 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C[C@H](C)OC)C(C)C ZINC000411282249 512560428 /nfs/dbraw/zinc/56/04/28/512560428.db2.gz IRJZBYOYGLUURE-ZDUSSCGKSA-N 1 0 353.419 2.677 20 5 FFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCc2c1cnn2CCO ZINC000378162980 512620448 /nfs/dbraw/zinc/62/04/48/512620448.db2.gz BJPDEZKEUKFQOK-PBHICJAKSA-N 1 0 358.442 2.772 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000378252079 512659439 /nfs/dbraw/zinc/65/94/39/512659439.db2.gz TURVLQVAVSCMMW-XNRPHZJLSA-N 1 0 367.833 2.572 20 5 FFBDRO CCOc1cc(N2CC[NH+](CCc3cncs3)CC2)ccc1[N+](=O)[O-] ZINC000411658957 512742379 /nfs/dbraw/zinc/74/23/79/512742379.db2.gz NLWHCONCGIYJCI-UHFFFAOYSA-N 1 0 362.455 2.815 20 5 FFBDRO COCC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1CCCSC1 ZINC000411751798 512793325 /nfs/dbraw/zinc/79/33/25/512793325.db2.gz BRAWESMTUYUYKZ-INIZCTEOSA-N 1 0 367.471 2.767 20 5 FFBDRO C[N@@H+]1CCCC12CCN(C(=O)c1ccc(N3CCCC3)c([N+](=O)[O-])c1)CC2 ZINC000378513857 512799188 /nfs/dbraw/zinc/79/91/88/512799188.db2.gz UBWWSXZMPMZQNZ-UHFFFAOYSA-N 1 0 372.469 2.895 20 5 FFBDRO O=C1C[C@H]([C@H]2CCCC[N@H+]2Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CN1 ZINC000372335066 512821040 /nfs/dbraw/zinc/82/10/40/512821040.db2.gz ZASXSHDYHKKIPJ-WMLDXEAASA-N 1 0 370.409 2.740 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N3CC[C@@H]4CC[NH2+][C@H]4C3)cc2[N+](=O)[O-])CC1 ZINC000376458416 512826776 /nfs/dbraw/zinc/82/67/76/512826776.db2.gz QNTDRVVTEPDWMA-RDJZCZTQSA-N 1 0 372.469 2.655 20 5 FFBDRO COc1ccc(OCC[NH+]2CCC(c3ccncn3)CC2)c([N+](=O)[O-])c1 ZINC000411824737 512833069 /nfs/dbraw/zinc/83/30/69/512833069.db2.gz GVRUDQWQXWKQGC-UHFFFAOYSA-N 1 0 358.398 2.652 20 5 FFBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CCO[C@]3(CCOC3)C2)cc1[N+](=O)[O-] ZINC000374525496 512873454 /nfs/dbraw/zinc/87/34/54/512873454.db2.gz CDNHYLFEAWUQDE-DHSIGJKJSA-N 1 0 350.415 2.982 20 5 FFBDRO C[C@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC[C@H]1[NH+]1CCN(C)CC1 ZINC000376636960 512912167 /nfs/dbraw/zinc/91/21/67/512912167.db2.gz NCJFKCGVOAYZBC-WMLDXEAASA-N 1 0 366.893 2.706 20 5 FFBDRO COC(=O)[C@]1(C)CCC[N@@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000412079902 512948064 /nfs/dbraw/zinc/94/80/64/512948064.db2.gz VJFVADUOZQQRAL-KZULUSFZSA-N 1 0 374.397 2.981 20 5 FFBDRO CC(C)(C)OC(=O)CC[C@@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000412081963 512949768 /nfs/dbraw/zinc/94/97/68/512949768.db2.gz WZMHVSBCBBSTAI-AWEZNQCLSA-N 1 0 352.435 2.625 20 5 FFBDRO C[C@@H]1C[C@@H](Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[N@@H+]1Cc1ccccc1 ZINC000397984491 512951562 /nfs/dbraw/zinc/95/15/62/512951562.db2.gz NSYJWHNOGIFWFJ-UKRRQHHQSA-N 1 0 351.410 2.968 20 5 FFBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000368457243 512957434 /nfs/dbraw/zinc/95/74/34/512957434.db2.gz HWTQXCAAKUMCMT-UHFFFAOYSA-N 1 0 372.400 2.664 20 5 FFBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)C1([NH3+])Cc2ccccc2C1 ZINC000376789419 512987683 /nfs/dbraw/zinc/98/76/83/512987683.db2.gz HSLHYYGNXKTQEP-UHFFFAOYSA-N 1 0 359.813 2.703 20 5 FFBDRO CC(C)Oc1cc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000412192644 512992796 /nfs/dbraw/zinc/99/27/96/512992796.db2.gz KMIKDVQIROZJOE-CVEARBPZSA-N 1 0 361.442 2.938 20 5 FFBDRO Cc1cn2c(n1)[C@@H](C[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)CCC2 ZINC000370682473 513051061 /nfs/dbraw/zinc/05/10/61/513051061.db2.gz NYULXZCHNKKASJ-DZGCQCFKSA-N 1 0 371.441 2.984 20 5 FFBDRO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000374881056 513053038 /nfs/dbraw/zinc/05/30/38/513053038.db2.gz VYDIYBQKKOSPFG-GDBMZVCRSA-N 1 0 354.410 2.630 20 5 FFBDRO CCOc1cc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2cnn(C)c2)ccc1[N+](=O)[O-] ZINC000372810108 513053395 /nfs/dbraw/zinc/05/33/95/513053395.db2.gz NIZGUZCUQBUEIL-AEFFLSMTSA-N 1 0 374.441 2.815 20 5 FFBDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1 ZINC000412371747 513056711 /nfs/dbraw/zinc/05/67/11/513056711.db2.gz YQOCRIFTQOZLOO-HLQCWHFUSA-N 1 0 357.454 2.887 20 5 FFBDRO COc1ccc(-c2ccc(C[NH2+][C@@H](CO)CC(F)F)o2)c([N+](=O)[O-])c1 ZINC000428639424 513149322 /nfs/dbraw/zinc/14/93/22/513149322.db2.gz JKUZTBINCAYIIW-SNVBAGLBSA-N 1 0 356.325 2.969 20 5 FFBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000417714096 513177902 /nfs/dbraw/zinc/17/79/02/513177902.db2.gz HBCJOBIZRHGNMH-LJQANCHMSA-N 1 0 360.458 2.703 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCCC[NH2+]Cc1cccnc1 ZINC000415290538 513191041 /nfs/dbraw/zinc/19/10/41/513191041.db2.gz DPQCILBQNCMEDD-UHFFFAOYSA-N 1 0 357.414 2.908 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000439882938 513203652 /nfs/dbraw/zinc/20/36/52/513203652.db2.gz MFWVBPSPWYUJOL-CYBMUJFWSA-N 1 0 350.419 2.989 20 5 FFBDRO CO[C@@H](Cc1ccccc1)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000450561471 513251990 /nfs/dbraw/zinc/25/19/90/513251990.db2.gz FWHODNXLEFAXHT-AEFFLSMTSA-N 1 0 356.426 2.734 20 5 FFBDRO COc1ccc(OCCN2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000429046928 513268258 /nfs/dbraw/zinc/26/82/58/513268258.db2.gz XZRLEYMNYUZBCT-BFYDXBDKSA-N 1 0 363.458 2.644 20 5 FFBDRO COc1ccc([C@H]2CC[NH2+]C[C@H]2NC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000415496117 513292266 /nfs/dbraw/zinc/29/22/66/513292266.db2.gz GDQKUTHBYPWYOJ-QZTJIDSGSA-N 1 0 370.409 2.871 20 5 FFBDRO C[N@H+](Cc1ccccc1)C1(CNc2nccc(C(N)=O)c2[N+](=O)[O-])CCC1 ZINC000450719705 513314912 /nfs/dbraw/zinc/31/49/12/513314912.db2.gz WQXJLRKPCMHAEF-UHFFFAOYSA-N 1 0 369.425 2.555 20 5 FFBDRO O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000434444800 513324954 /nfs/dbraw/zinc/32/49/54/513324954.db2.gz FNWZILMWUMUXIT-QGZVFWFLSA-N 1 0 372.469 2.942 20 5 FFBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000418002029 513329170 /nfs/dbraw/zinc/32/91/70/513329170.db2.gz YFGOPNQPLGLBCA-KRWDZBQOSA-N 1 0 366.849 2.576 20 5 FFBDRO Cc1c(NC(=O)NC2CC[NH2+]CC2)cc(Br)cc1[N+](=O)[O-] ZINC000415656262 513365546 /nfs/dbraw/zinc/36/55/46/513365546.db2.gz LCGPCYNQMYMUCV-UHFFFAOYSA-N 1 0 357.208 2.539 20 5 FFBDRO C[NH+](C)C1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000421679462 513366307 /nfs/dbraw/zinc/36/63/07/513366307.db2.gz KPHSGVDZWBXQMI-UHFFFAOYSA-N 1 0 357.357 2.799 20 5 FFBDRO [NH3+]C1CCC(NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000418088065 513367855 /nfs/dbraw/zinc/36/78/55/513367855.db2.gz JCWRBWCZVJYTDG-UHFFFAOYSA-N 1 0 360.336 2.683 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000450866128 513374631 /nfs/dbraw/zinc/37/46/31/513374631.db2.gz SXCOYTBRKHTASU-BMGDILEWSA-N 1 0 359.426 2.779 20 5 FFBDRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415686465 513379445 /nfs/dbraw/zinc/37/94/45/513379445.db2.gz AJFBRCVUGSFEFM-DTWKUNHWSA-N 1 0 357.208 2.571 20 5 FFBDRO NC(=O)[C@H](Cc1ccccc1)[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000447392403 513464768 /nfs/dbraw/zinc/46/47/68/513464768.db2.gz BHPRCZFGGQGQBT-HNNXBMFYSA-N 1 0 367.327 2.800 20 5 FFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCc2ccc3c(c2)OCCO3)n1 ZINC000447510925 513493024 /nfs/dbraw/zinc/49/30/24/513493024.db2.gz RBJQYUIPSAWXLE-HOTGVXAUSA-N 1 0 372.425 2.879 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@@H]2COc3ccccc3O2)n1 ZINC000447511746 513493393 /nfs/dbraw/zinc/49/33/93/513493393.db2.gz NGUZWRWAOBHPRV-RBSFLKMASA-N 1 0 358.398 2.705 20 5 FFBDRO CN(C)C(=O)c1cccc(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000447525656 513496833 /nfs/dbraw/zinc/49/68/33/513496833.db2.gz APYAOYUBEWODKV-SJORKVTESA-N 1 0 371.441 2.767 20 5 FFBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000415966196 513505746 /nfs/dbraw/zinc/50/57/46/513505746.db2.gz VWQRHVKLRFCMCC-HNNXBMFYSA-N 1 0 369.425 2.512 20 5 FFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCOc2ccc(Cl)cn2)n1 ZINC000447589591 513516921 /nfs/dbraw/zinc/51/69/21/513516921.db2.gz YLCDAXXNZWXFLP-KBPBESRZSA-N 1 0 365.821 2.992 20 5 FFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCOCC(F)(F)C(F)F)n1 ZINC000447601630 513519542 /nfs/dbraw/zinc/51/95/42/513519542.db2.gz QQNIUCAKFMGDNB-QWRGUYRKSA-N 1 0 368.331 2.782 20 5 FFBDRO C[C@H]([NH2+]CCC(=O)NC(=O)NCc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000451105255 513525317 /nfs/dbraw/zinc/52/53/17/513525317.db2.gz LXIAFKWRSBYZJX-AWEZNQCLSA-N 1 0 370.409 2.662 20 5 FFBDRO CN1C(=O)NCC12CC[NH+](Cc1ccc(-c3ccc([N+](=O)[O-])cc3)o1)CC2 ZINC000425375816 513534431 /nfs/dbraw/zinc/53/44/31/513534431.db2.gz VJSHZMOHUCBTAX-UHFFFAOYSA-N 1 0 370.409 2.844 20 5 FFBDRO CCc1[nH]nc(C(=O)Nc2cccc3c2OCC[C@@H]3[NH+](C)C)c1[N+](=O)[O-] ZINC000447724160 513552965 /nfs/dbraw/zinc/55/29/65/513552965.db2.gz UHPZGJAPSKUZSA-ZDUSSCGKSA-N 1 0 359.386 2.518 20 5 FFBDRO CC1(C)CCC[N@H+](CCNC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000451221734 513604522 /nfs/dbraw/zinc/60/45/22/513604522.db2.gz ZZPFNIHDEKXIGY-UHFFFAOYSA-N 1 0 371.441 2.632 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(N2C[C@@H]3[C@H](C2)OCCN3Cc2ccccc2)c1 ZINC000435584794 513626473 /nfs/dbraw/zinc/62/64/73/513626473.db2.gz QJLVSLRWCJMRAP-UXHICEINSA-N 1 0 353.422 2.993 20 5 FFBDRO Cc1c(Br)c(NCC[C@@H]2CCC[N@@H+](C)C2)ncc1[N+](=O)[O-] ZINC000413451375 513662327 /nfs/dbraw/zinc/66/23/27/513662327.db2.gz ZQNLDEBFBFYKFG-NSHDSACASA-N 1 0 357.252 2.626 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)[C@@H]1CCC[NH2+]CC1 ZINC000435749653 513676022 /nfs/dbraw/zinc/67/60/22/513676022.db2.gz KVSHWOBZXSNUPD-DGCLKSJQSA-N 1 0 355.822 2.616 20 5 FFBDRO CN(C(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000451347707 513694167 /nfs/dbraw/zinc/69/41/67/513694167.db2.gz UPPXXMMJHIFWJK-KZNAEPCWSA-N 1 0 361.442 2.573 20 5 FFBDRO COc1cc(CN2CCC[C@@H]([C@@H](C)[NH3+])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000430598568 513700290 /nfs/dbraw/zinc/70/02/90/513700290.db2.gz TVYVIVWFUQZRIC-GHMZBOCLSA-N 1 0 359.373 2.764 20 5 FFBDRO C[C@@H]1CN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)[C@@H](C)C[N@@H+]1CCO ZINC000419005199 513714481 /nfs/dbraw/zinc/71/44/81/513714481.db2.gz RSRXEUPNVUIGBN-OLZOCXBDSA-N 1 0 362.455 2.610 20 5 FFBDRO CC(C)Oc1cc(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)ccc1[N+](=O)[O-] ZINC000413620307 513738550 /nfs/dbraw/zinc/73/85/50/513738550.db2.gz AASQFCLTQGYJIX-CVEARBPZSA-N 1 0 361.442 2.938 20 5 FFBDRO Cc1cc(S(=O)(=O)NC2CC[NH+](C(C)(C)C)CC2)c(C)cc1[N+](=O)[O-] ZINC000416377157 513741032 /nfs/dbraw/zinc/74/10/32/513741032.db2.gz ZGRPXBUJFVGSLX-UHFFFAOYSA-N 1 0 369.487 2.753 20 5 FFBDRO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)cccc1[N+](=O)[O-] ZINC000451428943 513745862 /nfs/dbraw/zinc/74/58/62/513745862.db2.gz WVRSOEDPENAZCP-JFTQMJAMSA-N 1 0 361.442 2.856 20 5 FFBDRO CCO[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C[C@@H]1C ZINC000451545457 513824523 /nfs/dbraw/zinc/82/45/23/513824523.db2.gz RBCWNEFVYIAMFH-SUMWQHHRSA-N 1 0 365.430 2.679 20 5 FFBDRO CCOCCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451549681 513825066 /nfs/dbraw/zinc/82/50/66/513825066.db2.gz QCNRZUDXXDSVGS-NVXWUHKLSA-N 1 0 363.458 2.706 20 5 FFBDRO CCO[C@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C[C@@H]1C ZINC000451552577 513827980 /nfs/dbraw/zinc/82/79/80/513827980.db2.gz YWVCWUMXJCMTQA-BBRMVZONSA-N 1 0 365.430 2.679 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](C[C@H]3CCCS(=O)(=O)C3)C2)cc1 ZINC000451551218 513828469 /nfs/dbraw/zinc/82/84/69/513828469.db2.gz TWGUDNAGOYWUIQ-ZBFHGGJFSA-N 1 0 352.456 2.599 20 5 FFBDRO C[C@@H](CNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)[N@@H+]1CCCC[C@H]1C ZINC000448697166 513850794 /nfs/dbraw/zinc/85/07/94/513850794.db2.gz LFKBBLCFFQQHBF-CABCVRRESA-N 1 0 361.442 2.937 20 5 FFBDRO CC(C)[C@H](CO)[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C(C)C ZINC000451603884 513861206 /nfs/dbraw/zinc/86/12/06/513861206.db2.gz XTWLSZMSONBJTQ-KSSFIOAISA-N 1 0 351.447 2.802 20 5 FFBDRO Cc1c(NC(=O)CC[NH2+][C@@H]([C@H](CO)C2CC2)C2CC2)cccc1[N+](=O)[O-] ZINC000451617370 513867996 /nfs/dbraw/zinc/86/79/96/513867996.db2.gz XSFIRZSTTBXRRJ-DNVCBOLYSA-N 1 0 361.442 2.619 20 5 FFBDRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000413957521 513901061 /nfs/dbraw/zinc/90/10/61/513901061.db2.gz NLCJEQZUMWUSQE-UHFFFAOYSA-N 1 0 359.382 2.796 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422715453 513911224 /nfs/dbraw/zinc/91/12/24/513911224.db2.gz MEJYGEBOALSARO-XLIONFOSSA-N 1 0 369.421 2.949 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CC[C@@H]4C[C@@H](O)CC[C@H]4C3)n2)c1 ZINC000451707781 513927012 /nfs/dbraw/zinc/92/70/12/513927012.db2.gz NBZMPBUJMVLERT-INWMFGNUSA-N 1 0 358.398 2.628 20 5 FFBDRO COc1cc(C(=O)N2CC([N@H+](C)Cc3ccccc3)C2)c([N+](=O)[O-])cc1F ZINC000451711986 513931127 /nfs/dbraw/zinc/93/11/27/513931127.db2.gz QOKGEYJZORMYER-UHFFFAOYSA-N 1 0 373.384 2.699 20 5 FFBDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000422840817 513949450 /nfs/dbraw/zinc/94/94/50/513949450.db2.gz CCWGFHILNVBVBD-QWRGUYRKSA-N 1 0 357.863 2.926 20 5 FFBDRO C[C@@H]1CCCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])[C@H]1C[NH3+] ZINC000422846608 513950248 /nfs/dbraw/zinc/95/02/48/513950248.db2.gz FTNGUIYYALXGMR-MFKMUULPSA-N 1 0 357.863 2.926 20 5 FFBDRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000414091984 513973440 /nfs/dbraw/zinc/97/34/40/513973440.db2.gz LLEWZFOPTRIEFE-NSHDSACASA-N 1 0 366.215 2.697 20 5 FFBDRO COc1cc(C[NH2+][C@@H]2COCC2(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000451806913 513991569 /nfs/dbraw/zinc/99/15/69/513991569.db2.gz AFHBITWRMLWVSI-CQSZACIVSA-N 1 0 360.357 2.762 20 5 FFBDRO C[NH+](C)CCN(C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)C1CCCC1 ZINC000448976968 514002641 /nfs/dbraw/zinc/00/26/41/514002641.db2.gz WOINKKAKTXFEPL-UHFFFAOYSA-N 1 0 371.441 2.727 20 5 FFBDRO Cc1cc(OCC(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000431832906 514014896 /nfs/dbraw/zinc/01/48/96/514014896.db2.gz MAQKDBCNUDQXLP-OFQRWUPVSA-N 1 0 363.458 2.765 20 5 FFBDRO CC(C)(CC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)S(C)(=O)=O ZINC000414269977 514027541 /nfs/dbraw/zinc/02/75/41/514027541.db2.gz VHBOEGPSHLFZAI-HNNXBMFYSA-N 1 0 354.472 2.719 20 5 FFBDRO O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000420271079 514067445 /nfs/dbraw/zinc/06/74/45/514067445.db2.gz ZISHKZBWIZJZNP-BDAKNGLRSA-N 1 0 366.290 2.690 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000426889825 514068368 /nfs/dbraw/zinc/06/83/68/514068368.db2.gz OWLRKTMWIAORAP-MRXNPFEDSA-N 1 0 369.421 2.998 20 5 FFBDRO COc1cccc(C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000443914241 514069348 /nfs/dbraw/zinc/06/93/48/514069348.db2.gz DYVYPSNIEFNMHY-HNNXBMFYSA-N 1 0 357.410 2.506 20 5 FFBDRO CCc1ccccc1[C@@H]([NH3+])CNc1ccc(CC(=O)OC)cc1[N+](=O)[O-] ZINC000420283317 514072021 /nfs/dbraw/zinc/07/20/21/514072021.db2.gz SXEOEODYZKFOQZ-INIZCTEOSA-N 1 0 357.410 2.985 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CCN(C(=O)c2ccncc2)CC1 ZINC000449105913 514073525 /nfs/dbraw/zinc/07/35/25/514073525.db2.gz FUGGWLUGXFYWSW-HNNXBMFYSA-N 1 0 368.437 2.815 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCNC(=O)c1cccc(O)c1 ZINC000449110167 514074848 /nfs/dbraw/zinc/07/48/48/514074848.db2.gz BELMELBOQHWEFT-CQSZACIVSA-N 1 0 357.410 2.641 20 5 FFBDRO Cc1ccc([C@H](C)NC(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)cc1[N+](=O)[O-] ZINC000423276167 514098077 /nfs/dbraw/zinc/09/80/77/514098077.db2.gz MMLFKMCFDKJVSU-BBRMVZONSA-N 1 0 357.414 2.515 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000449200156 514109089 /nfs/dbraw/zinc/10/90/89/514109089.db2.gz BAVZJTDVGMSTPF-ZIAGYGMSSA-N 1 0 354.410 2.605 20 5 FFBDRO COC(=O)[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)C[C@H]1c1ccccc1 ZINC000451995133 514120773 /nfs/dbraw/zinc/12/07/73/514120773.db2.gz MYZKLHVLLYCHNQ-ZWKOTPCHSA-N 1 0 370.405 2.992 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2noc(CN3CC[NH2+]C[C@@H]3c3ccccc3)n2)c1 ZINC000420409771 514136609 /nfs/dbraw/zinc/13/66/09/514136609.db2.gz QVCVBWWICVATOT-QGZVFWFLSA-N 1 0 365.393 2.791 20 5 FFBDRO Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449264096 514137758 /nfs/dbraw/zinc/13/77/58/514137758.db2.gz NRELWSZACLEBTJ-GFJSAUFNSA-N 1 0 358.442 2.996 20 5 FFBDRO CCn1nccc1N1CCC[C@@H]([NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])C1=O ZINC000449276146 514142417 /nfs/dbraw/zinc/14/24/17/514142417.db2.gz AZFAJCVREBAETL-GOEBONIOSA-N 1 0 371.441 2.527 20 5 FFBDRO O=C1[C@H](N2CC[C@@H](C[NH+]3CCCCC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000444205626 514153396 /nfs/dbraw/zinc/15/33/96/514153396.db2.gz NBOYXFXEKKBDQT-QFBILLFUSA-N 1 0 372.469 2.508 20 5 FFBDRO CN(C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCC[NH2+]CC1 ZINC000423600924 514179352 /nfs/dbraw/zinc/17/93/52/514179352.db2.gz SDHIAPPQZMRJCU-LBPRGKRZSA-N 1 0 357.863 2.941 20 5 FFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC1(CS(C)(=O)=O)CCC1 ZINC000414559544 514180264 /nfs/dbraw/zinc/18/02/64/514180264.db2.gz UWYHPEUQYTUBFF-ZROIWOOFSA-N 1 0 352.456 2.803 20 5 FFBDRO COC[C@](C)(O)CC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000449384190 514186809 /nfs/dbraw/zinc/18/68/09/514186809.db2.gz MOOZPIIBUPNGCD-MRXNPFEDSA-N 1 0 351.428 2.595 20 5 FFBDRO COc1cc(C[NH2+][C@@H]2CCC[C@@H](CO)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000414578599 514190241 /nfs/dbraw/zinc/19/02/41/514190241.db2.gz PPXQEUSDYVIMTL-DGCLKSJQSA-N 1 0 374.384 2.888 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C[C@@H]3CCCCN3CCO)o2)c1 ZINC000449394724 514192954 /nfs/dbraw/zinc/19/29/54/514192954.db2.gz OOOPSWRHCKCCNU-KRWDZBQOSA-N 1 0 359.426 2.791 20 5 FFBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1Nc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420601936 514196559 /nfs/dbraw/zinc/19/65/59/514196559.db2.gz AKIBCHRISHFJPG-XJKSGUPXSA-N 1 0 354.410 2.626 20 5 FFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@H]2CCCN(CCCO)C2)o1 ZINC000449398519 514197832 /nfs/dbraw/zinc/19/78/32/514197832.db2.gz VHMZHCKLDVEBIJ-HNNXBMFYSA-N 1 0 359.426 2.791 20 5 FFBDRO CC[C@H]1[C@H](CO)CC[N@@H+]1Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000449427516 514206331 /nfs/dbraw/zinc/20/63/31/514206331.db2.gz SLWGINYTKIQFPD-AAEUAGOBSA-N 1 0 374.384 2.840 20 5 FFBDRO COC[C@@]1(C(=O)OC)CC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000449460600 514219921 /nfs/dbraw/zinc/21/99/21/514219921.db2.gz ZIJRIHNHUCEEON-LJQANCHMSA-N 1 0 374.393 2.866 20 5 FFBDRO Cn1cc(C[NH2+][C@H]([C@@H](CO)C2CC2)C2CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000449514598 514234946 /nfs/dbraw/zinc/23/49/46/514234946.db2.gz YMCWNQJIOAFORC-ICSRJNTNSA-N 1 0 370.453 2.882 20 5 FFBDRO COCCCN(C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)C1CC[NH+](C)CC1 ZINC000427645509 514276566 /nfs/dbraw/zinc/27/65/66/514276566.db2.gz DPRLRFRCHROGPL-UHFFFAOYSA-N 1 0 374.441 2.649 20 5 FFBDRO CCOc1cc(NC(=O)N[C@@H]2CC[NH2+]C2(C)C)c([N+](=O)[O-])cc1OCC ZINC000414760269 514277627 /nfs/dbraw/zinc/27/76/27/514277627.db2.gz QECYLASYPQJWIP-OAHLLOKOSA-N 1 0 366.418 2.654 20 5 FFBDRO CC1(C)CCC[N@H+](CCNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000444631721 514278913 /nfs/dbraw/zinc/27/89/13/514278913.db2.gz WINXOAVTRWHKTF-UHFFFAOYSA-N 1 0 371.441 2.632 20 5 FFBDRO CCOc1cc(NC(=O)NC2CCC([NH3+])CC2)c([N+](=O)[O-])cc1OCC ZINC000414765207 514280978 /nfs/dbraw/zinc/28/09/78/514280978.db2.gz ZMPLKGZSLCAOHJ-UHFFFAOYSA-N 1 0 366.418 2.784 20 5 FFBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423927919 514292053 /nfs/dbraw/zinc/29/20/53/514292053.db2.gz GIJZBTMLGCYXTL-DLBZAZTESA-N 1 0 357.435 2.559 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000423958775 514308203 /nfs/dbraw/zinc/30/82/03/514308203.db2.gz MNFVDUAWOUTCOV-GWCFXTLKSA-N 1 0 355.822 2.649 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N[C@@H]3CC[C@@H](C[NH3+])C3)cc2[N+](=O)[O-])C1 ZINC000449708430 514315726 /nfs/dbraw/zinc/31/57/26/514315726.db2.gz GRZPXFPLJIUZBX-IIAWOOMASA-N 1 0 360.458 2.688 20 5 FFBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000423973849 514317300 /nfs/dbraw/zinc/31/73/00/514317300.db2.gz NAJHGTJYAZOCIG-QAPCUYQASA-N 1 0 360.458 2.778 20 5 FFBDRO CCc1ccc(C(=O)N2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)cc1[N+](=O)[O-] ZINC000424014713 514341016 /nfs/dbraw/zinc/34/10/16/514341016.db2.gz VZORFPGOMHOZTI-AEFFLSMTSA-N 1 0 361.442 2.516 20 5 FFBDRO C[C@H](CNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[N@@H+]1CCCC[C@@H]1C ZINC000444850052 514350861 /nfs/dbraw/zinc/35/08/61/514350861.db2.gz NXVSPXIIPWBEMQ-QWHCGFSZSA-N 1 0 374.445 2.533 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])cc2OC)C[C@H]1C ZINC000444896549 514363329 /nfs/dbraw/zinc/36/33/29/514363329.db2.gz MMDNJTKMWZUHCW-CHWSQXEVSA-N 1 0 350.419 2.940 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)C[C@@H](O)Cc1ccccc1 ZINC000433056334 514364676 /nfs/dbraw/zinc/36/46/76/514364676.db2.gz COTUFPCTUMJCAY-SFHVURJKSA-N 1 0 371.437 2.767 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)C[C@H](O)Cc1ccccc1 ZINC000433056332 514365177 /nfs/dbraw/zinc/36/51/77/514365177.db2.gz COTUFPCTUMJCAY-GOSISDBHSA-N 1 0 371.437 2.767 20 5 FFBDRO [NH3+]CC[C@@H]1CCCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000414945479 514369478 /nfs/dbraw/zinc/36/94/78/514369478.db2.gz IJWRGCSJUQZPNJ-JTQLQIEISA-N 1 0 358.345 2.789 20 5 FFBDRO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000414948975 514370960 /nfs/dbraw/zinc/37/09/60/514370960.db2.gz MZIFDDFRKJJLNL-GMTAPVOTSA-N 1 0 370.356 2.706 20 5 FFBDRO C[C@@H]1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)[C@H](C[NH3+])C1 ZINC000414952061 514372804 /nfs/dbraw/zinc/37/28/04/514372804.db2.gz QLPJWUOFUJUJMO-KOLCDFICSA-N 1 0 358.345 2.787 20 5 FFBDRO CN1CC[NH2+]C[C@H]1CNCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000414966834 514379817 /nfs/dbraw/zinc/37/98/17/514379817.db2.gz ANGWDKUAPJGLKT-INIZCTEOSA-N 1 0 374.416 2.519 20 5 FFBDRO COc1ccc(-c2ccc(C[NH2+]C[C@H]3CCN(C)C(=O)C3)o2)c([N+](=O)[O-])c1 ZINC000424183245 514408468 /nfs/dbraw/zinc/40/84/68/514408468.db2.gz BANXBABKODQVET-ZDUSSCGKSA-N 1 0 373.409 2.821 20 5 FFBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000445245438 514451127 /nfs/dbraw/zinc/45/11/27/514451127.db2.gz BBRJAQRZTSLYOT-AWEZNQCLSA-N 1 0 369.849 2.643 20 5 FFBDRO C[C@@H](NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)C(C)(C)C[NH+](C)C ZINC000449989112 514455043 /nfs/dbraw/zinc/45/50/43/514455043.db2.gz OFYBNYYIDPBCPJ-GFCCVEGCSA-N 1 0 359.430 2.691 20 5 FFBDRO COc1cc(CN2CC[C@H](C)[C@H](C[NH3+])C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000415132390 514459235 /nfs/dbraw/zinc/45/92/35/514459235.db2.gz UCNCEBFSJDLQEB-WCQYABFASA-N 1 0 373.400 2.664 20 5 FFBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCC[C@H](C[NH3+])C3)cc2[N+](=O)[O-])C1 ZINC000428529335 514490203 /nfs/dbraw/zinc/49/02/03/514490203.db2.gz GTQQACXGEXVSOP-OWCLPIDISA-N 1 0 374.485 2.888 20 5 FFBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C1 ZINC000450145587 514510664 /nfs/dbraw/zinc/51/06/64/514510664.db2.gz KCDRGLNOLHYTRR-AWEZNQCLSA-N 1 0 371.441 2.693 20 5 FFBDRO Cc1c(C(=O)N2CCN(C3CC[NH+](C(C)C)CC3)CC2)cccc1[N+](=O)[O-] ZINC000433547022 514511186 /nfs/dbraw/zinc/51/11/86/514511186.db2.gz FBZBPIBCABDVEY-UHFFFAOYSA-N 1 0 374.485 2.534 20 5 FFBDRO O=C1[C@H]([NH2+][C@H](c2cccnc2)C2CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000445804912 514524987 /nfs/dbraw/zinc/52/49/87/514524987.db2.gz DOLGJPUGAJYGTQ-MSOLQXFVSA-N 1 0 352.394 2.836 20 5 FFBDRO CC[C@H]([NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccsc1 ZINC000453086502 514540551 /nfs/dbraw/zinc/54/05/51/514540551.db2.gz LVPLMBSKXZQXBX-HNNXBMFYSA-N 1 0 369.468 2.676 20 5 FFBDRO Cc1ccc(C[N@H+](C)C[C@@H]2C[C@H](F)CN2Cc2ncccn2)cc1[N+](=O)[O-] ZINC000475094538 514555253 /nfs/dbraw/zinc/55/52/53/514555253.db2.gz REFUBQQBRVTREW-IRXDYDNUSA-N 1 0 373.432 2.738 20 5 FFBDRO O=[N+]([O-])c1cccc2c1ccnc2N1CCC(C[NH+]2CCOCC2)CC1 ZINC000450255522 514566831 /nfs/dbraw/zinc/56/68/31/514566831.db2.gz ZJFIPLVGTRDQIN-UHFFFAOYSA-N 1 0 356.426 2.692 20 5 FFBDRO C[NH+](C)CCOc1cc(NC(=O)CCc2cccc([N+](=O)[O-])c2)ccn1 ZINC000497686659 514595584 /nfs/dbraw/zinc/59/55/84/514595584.db2.gz MULIARJWMZTAPN-UHFFFAOYSA-N 1 0 358.398 2.502 20 5 FFBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NCCCCC[NH+]1CCCC1 ZINC000508166076 514692560 /nfs/dbraw/zinc/69/25/60/514692560.db2.gz VCFJPWAEKSVNMY-UHFFFAOYSA-N 1 0 358.442 2.932 20 5 FFBDRO C[NH+](C)CC1(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CCC1 ZINC000466569045 514694227 /nfs/dbraw/zinc/69/42/27/514694227.db2.gz AGAKCGDUYBPYKM-UHFFFAOYSA-N 1 0 370.247 2.500 20 5 FFBDRO CC[NH+](CC)CCOCCNC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000475639783 514745368 /nfs/dbraw/zinc/74/53/68/514745368.db2.gz PTCCEMXHEVDSBX-UHFFFAOYSA-N 1 0 352.435 2.692 20 5 FFBDRO CC(C)[C@@H]1CN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000489339297 514805448 /nfs/dbraw/zinc/80/54/48/514805448.db2.gz XRDDYWFDQOZATM-ZDUSSCGKSA-N 1 0 357.357 2.608 20 5 FFBDRO Cc1ccc([C@H](C)[NH2+]CCCN2C(=O)NC3(CCCC3)C2=O)cc1[N+](=O)[O-] ZINC000480171013 514861792 /nfs/dbraw/zinc/86/17/92/514861792.db2.gz YHONGPBFRHVFCM-AWEZNQCLSA-N 1 0 374.441 2.809 20 5 FFBDRO O=C(CC[N@@H+]1CCc2ccccc2C1)NCCNc1ccccc1[N+](=O)[O-] ZINC000471396557 514866341 /nfs/dbraw/zinc/86/63/41/514866341.db2.gz CCQSPQDXSMUCRY-UHFFFAOYSA-N 1 0 368.437 2.571 20 5 FFBDRO C[C@H](CCNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)[N@H+](C)Cc1ccccc1 ZINC000471463584 514895525 /nfs/dbraw/zinc/89/55/25/514895525.db2.gz ZDCGURAFQNWTJR-OAHLLOKOSA-N 1 0 373.457 2.553 20 5 FFBDRO CC[NH+](CC)[C@H](CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)CC(C)C ZINC000498454866 514911717 /nfs/dbraw/zinc/91/17/17/514911717.db2.gz PBORHHPYOVIQBA-AWEZNQCLSA-N 1 0 361.446 2.957 20 5 FFBDRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000471541106 514923512 /nfs/dbraw/zinc/92/35/12/514923512.db2.gz WGYHZSCFNVJYJW-AWEZNQCLSA-N 1 0 354.838 2.603 20 5 FFBDRO COc1ccc(CNC(=O)N(C)CC[NH+](C(C)C)C(C)C)cc1[N+](=O)[O-] ZINC000503195371 514953642 /nfs/dbraw/zinc/95/36/42/514953642.db2.gz YENFQKFJDSBWCG-UHFFFAOYSA-N 1 0 366.462 2.864 20 5 FFBDRO Cn1ccnc1C(=O)c1ccc(NCC[N@H+](C)C2CCCC2)c([N+](=O)[O-])c1 ZINC000480464449 514966563 /nfs/dbraw/zinc/96/65/63/514966563.db2.gz WBLZLUIIYIMZNA-UHFFFAOYSA-N 1 0 371.441 2.846 20 5 FFBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2Br)C[C@@H]1C ZINC000498569553 514976660 /nfs/dbraw/zinc/97/66/60/514976660.db2.gz APAHKWGQNLHEOD-WDEREUQCSA-N 1 0 370.247 2.912 20 5 FFBDRO C[C@@H](CC[NH+](C)C)NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000498653186 515012494 /nfs/dbraw/zinc/01/24/94/515012494.db2.gz FAXZAPGKYQZQRQ-HNNXBMFYSA-N 1 0 362.474 2.901 20 5 FFBDRO CC1CC[NH+]([C@H](CNC(=O)c2cc([N+](=O)[O-])nn2C)c2ccccc2)CC1 ZINC000476377125 515023707 /nfs/dbraw/zinc/02/37/07/515023707.db2.gz SWECQIHNJKVDSJ-QGZVFWFLSA-N 1 0 371.441 2.531 20 5 FFBDRO COCC[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H]1CCOC1 ZINC000490047439 515081128 /nfs/dbraw/zinc/08/11/28/515081128.db2.gz SWMOGSAKDCPIOR-MRXNPFEDSA-N 1 0 361.398 2.530 20 5 FFBDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000485548177 515083934 /nfs/dbraw/zinc/08/39/34/515083934.db2.gz PEKKKLTUNPRUES-GFCCVEGCSA-N 1 0 355.385 2.796 20 5 FFBDRO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])CC[N@H+](Cc2ccccc2)C1 ZINC000456326214 515094181 /nfs/dbraw/zinc/09/41/81/515094181.db2.gz GLIKNIOOYBZELR-OAHLLOKOSA-N 1 0 369.421 2.895 20 5 FFBDRO CC(C)(CC[NH+]1CCCCCC1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000476596894 515122535 /nfs/dbraw/zinc/12/25/35/515122535.db2.gz FKRYORHPJDGRNK-UHFFFAOYSA-N 1 0 369.487 2.918 20 5 FFBDRO C[C@H](CN1CCN(c2ccccn2)CC1)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000467856118 515147034 /nfs/dbraw/zinc/14/70/34/515147034.db2.gz OIDJVVUBUVOKRO-SJORKVTESA-N 1 0 369.469 2.851 20 5 FFBDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000472184129 515161417 /nfs/dbraw/zinc/16/14/17/515161417.db2.gz XRWABAQPWJXDSW-AWEZNQCLSA-N 1 0 369.849 2.821 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])C[C@@H]1C ZINC000481057238 515190019 /nfs/dbraw/zinc/19/00/19/515190019.db2.gz KGXDYLUPCCJQCX-GJZGRUSLSA-N 1 0 369.487 2.705 20 5 FFBDRO C[C@@H](CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)[N@@H+]1CCC[C@@H](C)C1 ZINC000485824621 515204549 /nfs/dbraw/zinc/20/45/49/515204549.db2.gz ZWSLRBVJPVKRQN-NEPJUHHUSA-N 1 0 355.385 2.652 20 5 FFBDRO C[C@H]1CCC[N@H+](CCNc2cc(CN3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000472371487 515247916 /nfs/dbraw/zinc/24/79/16/515247916.db2.gz ZQMSLZGREYVVQE-INIZCTEOSA-N 1 0 362.474 2.571 20 5 FFBDRO CC(C)O[C@@H]1C[C@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000462848965 515268947 /nfs/dbraw/zinc/26/89/47/515268947.db2.gz ZMIJIRSSKRPLCH-JKSUJKDBSA-N 1 0 370.471 2.550 20 5 FFBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000463143381 515378258 /nfs/dbraw/zinc/37/82/58/515378258.db2.gz OEQSODDHOSCARK-OWCLPIDISA-N 1 0 362.474 2.514 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(NCCC[NH+]2CCN(c3ccccc3)CC2)n1 ZINC000481687439 515425885 /nfs/dbraw/zinc/42/58/85/515425885.db2.gz KMCWOFSRUUTKHL-UHFFFAOYSA-N 1 0 355.442 2.922 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(NC[C@H](C)[NH+]2CCN(c3ccccc3)CC2)n1 ZINC000481698226 515429902 /nfs/dbraw/zinc/42/99/02/515429902.db2.gz RTYFHTJHOBZYLD-INIZCTEOSA-N 1 0 355.442 2.921 20 5 FFBDRO CCO[C@@H]1C[C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)[C@H]1Sc1ccccc1 ZINC000459452717 515563399 /nfs/dbraw/zinc/56/33/99/515563399.db2.gz WLWKLCAGNBENBT-BRWVUGGUSA-N 1 0 362.455 2.719 20 5 FFBDRO COC(=O)c1cnc(NC[C@@H]2CCCC[N@@H+]2CC(C)C)c([N+](=O)[O-])c1 ZINC000477719870 515566988 /nfs/dbraw/zinc/56/69/88/515566988.db2.gz PCOSPXWEMAQTDB-AWEZNQCLSA-N 1 0 350.419 2.699 20 5 FFBDRO COC(=O)C[C@@]1([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCOC1 ZINC000463726137 515593961 /nfs/dbraw/zinc/59/39/61/515593961.db2.gz KMUIWJYWODRTIM-SFHVURJKSA-N 1 0 360.366 2.667 20 5 FFBDRO C[C@H](CO)[N@@H+]1CCCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1 ZINC000468969924 515607560 /nfs/dbraw/zinc/60/75/60/515607560.db2.gz LWDBXBLRAASLIB-OAHLLOKOSA-N 1 0 356.426 2.550 20 5 FFBDRO COC[C@](C)([NH3+])CNc1ccc(C(=O)Nc2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000510671112 515632065 /nfs/dbraw/zinc/63/20/65/515632065.db2.gz WROQIEFMUHRMPD-LJQANCHMSA-N 1 0 372.425 2.931 20 5 FFBDRO Cc1cc(C)c(S(=O)(=O)NC[C@@H](C)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000493443714 515633589 /nfs/dbraw/zinc/63/35/89/515633589.db2.gz UDZYPYMNERHWGY-CYBMUJFWSA-N 1 0 369.487 2.612 20 5 FFBDRO COc1ccc(C[C@](C)([NH3+])CNc2nc3ccccc3cc2[N+](=O)[O-])cc1 ZINC000473514751 515641205 /nfs/dbraw/zinc/64/12/05/515641205.db2.gz TVLAWSPFWWIABF-FQEVSTJZSA-N 1 0 366.421 2.946 20 5 FFBDRO CCOC(=O)c1ccnc(NCC(C)(C)C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000478048712 515682263 /nfs/dbraw/zinc/68/22/63/515682263.db2.gz WBFWHIBMNGGQDE-UHFFFAOYSA-N 1 0 350.419 2.700 20 5 FFBDRO C[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1nc2c(s1)CCC2 ZINC000459632185 515708435 /nfs/dbraw/zinc/70/84/35/515708435.db2.gz DXOMKJPPUUFZAW-WCQYABFASA-N 1 0 363.439 2.631 20 5 FFBDRO Cc1nn(Cc2ccc(C(=O)NC(C)(C)C[NH+](C)C)cc2)c(C)c1[N+](=O)[O-] ZINC000457219355 515732195 /nfs/dbraw/zinc/73/21/95/515732195.db2.gz JXWWONYKFUQBJM-UHFFFAOYSA-N 1 0 373.457 2.526 20 5 FFBDRO C[C@@H]1CN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C[C@H](C)[N@H+]1C ZINC000454780996 515738388 /nfs/dbraw/zinc/73/83/88/515738388.db2.gz SMDLCVSCYUSZLO-TXEJJXNPSA-N 1 0 354.838 2.525 20 5 FFBDRO C[C@@H]1[C@@H](NC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CCC[N@@H+]1C ZINC000454785924 515743981 /nfs/dbraw/zinc/74/39/81/515743981.db2.gz NDKQJPWBFVVXRU-HFTRVMKXSA-N 1 0 360.458 2.967 20 5 FFBDRO CC[C@H]([NH2+]CCc1nnnn1-c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000511035408 515753187 /nfs/dbraw/zinc/75/31/87/515753187.db2.gz DKHIJMCXLDJNHT-KRWDZBQOSA-N 1 0 352.398 2.854 20 5 FFBDRO C[C@H]1CN(c2ccc3ncccc3c2[N+](=O)[O-])CC[C@H]1[NH+]1CCN(C)CC1 ZINC000487092474 515755586 /nfs/dbraw/zinc/75/55/86/515755586.db2.gz JJMOSGMDFPFHSB-MAUKXSAKSA-N 1 0 369.469 2.605 20 5 FFBDRO C[N@H+](CCC(=O)NC(=O)Nc1ccccc1)CCc1ccccc1[N+](=O)[O-] ZINC000511068353 515765228 /nfs/dbraw/zinc/76/52/28/515765228.db2.gz ZZWOLOZDGQUUHW-UHFFFAOYSA-N 1 0 370.409 2.808 20 5 FFBDRO O=C(CC[N@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000459769482 515793864 /nfs/dbraw/zinc/79/38/64/515793864.db2.gz BYOPFCMAIHQAOP-MAUKXSAKSA-N 1 0 361.442 2.796 20 5 FFBDRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)[NH+](C)C ZINC000464419898 515816569 /nfs/dbraw/zinc/81/65/69/515816569.db2.gz NZFRIWRZNMCVKA-WMLDXEAASA-N 1 0 373.457 2.642 20 5 FFBDRO COc1ccc(Br)cc1C[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000478423432 515818333 /nfs/dbraw/zinc/81/83/33/515818333.db2.gz YPKFQCMQODLGTF-UHFFFAOYSA-N 1 0 369.219 2.694 20 5 FFBDRO CCOc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccccn2)cc1[N+](=O)[O-] ZINC000500757986 515846407 /nfs/dbraw/zinc/84/64/07/515846407.db2.gz KXLXENARCCEFKI-UHFFFAOYSA-N 1 0 372.425 2.593 20 5 FFBDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000506328100 515851283 /nfs/dbraw/zinc/85/12/83/515851283.db2.gz TWHZOAKVDOCEGS-OKILXGFUSA-N 1 0 371.441 2.726 20 5 FFBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000500872056 515890569 /nfs/dbraw/zinc/89/05/69/515890569.db2.gz VPLNYCRGBXVGIF-OAHLLOKOSA-N 1 0 363.462 2.570 20 5 FFBDRO COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000464688817 515923692 /nfs/dbraw/zinc/92/36/92/515923692.db2.gz IRAHDGUHJDPECQ-YVEFUNNKSA-N 1 0 354.378 2.954 20 5 FFBDRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000511546939 515939130 /nfs/dbraw/zinc/93/91/30/515939130.db2.gz LMGKJYKONIOWNF-INIZCTEOSA-N 1 0 350.463 2.755 20 5 FFBDRO CN(CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000474217732 515939195 /nfs/dbraw/zinc/93/91/95/515939195.db2.gz YJPJYIPUBBDESF-QGZVFWFLSA-N 1 0 368.437 2.740 20 5 FFBDRO C[C@H](CO)[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])CC1CCC1 ZINC000483143798 515950585 /nfs/dbraw/zinc/95/05/85/515950585.db2.gz AYITVGQAVLIIOA-LLVKDONJSA-N 1 0 355.822 2.670 20 5 FFBDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NCc1c([N+](=O)[O-])ncn1C ZINC000469764071 515956433 /nfs/dbraw/zinc/95/64/33/515956433.db2.gz NDDBUGOJRHNKQJ-GJZGRUSLSA-N 1 0 357.458 2.575 20 5 FFBDRO C[C@H](CN1CCN(c2ccccn2)CC1)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000483154187 515957077 /nfs/dbraw/zinc/95/70/77/515957077.db2.gz IEHJSNQYZLDJFN-IAGOWNOFSA-N 1 0 369.469 2.851 20 5 FFBDRO C[C@H]1C[C@H](NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000487838948 516001055 /nfs/dbraw/zinc/00/10/55/516001055.db2.gz OGNRVOFGNIAEHK-SMDDNHRTSA-N 1 0 354.838 2.573 20 5 FFBDRO COC(=O)[C@@H]1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H]1C ZINC000469997509 516067502 /nfs/dbraw/zinc/06/75/02/516067502.db2.gz ZYKKEKUDSOQWOE-IUODEOHRSA-N 1 0 359.382 2.676 20 5 FFBDRO CC(C)[C@H]1CCC[C@H]([NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000474706881 516163771 /nfs/dbraw/zinc/16/37/71/516163771.db2.gz ILDRQNGZHDOSMS-GJZGRUSLSA-N 1 0 369.487 2.678 20 5 FFBDRO CCCN(CC[NH+]1CCCC1)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000512420837 516271227 /nfs/dbraw/zinc/27/12/27/516271227.db2.gz NQMUPCKYSUWXBN-UHFFFAOYSA-N 1 0 368.865 2.995 20 5 FFBDRO COc1ccc(OCC[N@@H+]2CCCCC[C@@H]2C[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000512420957 516271595 /nfs/dbraw/zinc/27/15/95/516271595.db2.gz ORAWUNPIHFCYSA-HUUCEWRRSA-N 1 0 352.431 2.998 20 5 FFBDRO C[C@@H](CNC(=O)NCCc1ccccc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000465875058 516278179 /nfs/dbraw/zinc/27/81/79/516278179.db2.gz LNACPVNSTJXJRF-INIZCTEOSA-N 1 0 370.453 2.957 20 5 FFBDRO Cc1n[nH]c(C(=O)NCC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000512570888 516307360 /nfs/dbraw/zinc/30/73/60/516307360.db2.gz WQMZFVWBSZUBJN-BBRMVZONSA-N 1 0 371.441 2.657 20 5 FFBDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000461040160 516309851 /nfs/dbraw/zinc/30/98/51/516309851.db2.gz CLKQURZDWUIURX-VXGBXAGGSA-N 1 0 357.838 2.860 20 5 FFBDRO Cc1cc(OCC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000561015897 516338521 /nfs/dbraw/zinc/33/85/21/516338521.db2.gz OTVSPINKXJYZFI-QGZVFWFLSA-N 1 0 369.421 2.673 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H]2CCC[N@H+](CC(C)C)C2)n1 ZINC000557639237 516351871 /nfs/dbraw/zinc/35/18/71/516351871.db2.gz KTSGVSDCVODPAX-ZDUSSCGKSA-N 1 0 350.419 2.556 20 5 FFBDRO C[NH+]1CCN(Cc2ccc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3)cc2)CC1 ZINC000517561104 516364837 /nfs/dbraw/zinc/36/48/37/516364837.db2.gz BMTRTSKUSUPDTN-UHFFFAOYSA-N 1 0 372.400 2.734 20 5 FFBDRO C[NH+](C)CCOc1cccc(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)c1 ZINC000517565610 516367258 /nfs/dbraw/zinc/36/72/58/516367258.db2.gz HBIDSQVPCIRSRL-UHFFFAOYSA-N 1 0 361.373 2.604 20 5 FFBDRO COC(=O)c1cc(C)nc(N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000561157828 516414890 /nfs/dbraw/zinc/41/48/90/516414890.db2.gz XGLZCCUOJWLWBM-WCQYABFASA-N 1 0 350.419 2.617 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)n1 ZINC000561182965 516433937 /nfs/dbraw/zinc/43/39/37/516433937.db2.gz CVFCURIVAZTMHK-GFCCVEGCSA-N 1 0 350.419 2.699 20 5 FFBDRO CCOc1cc(NCc2ccc(N3CCOCC3)nc2)ccc1[N+](=O)[O-] ZINC000531386426 516443630 /nfs/dbraw/zinc/44/36/30/516443630.db2.gz HBOLWSADRAGFCB-UHFFFAOYSA-N 1 0 358.398 2.837 20 5 FFBDRO CN(C)C(=O)C[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000517767110 516445483 /nfs/dbraw/zinc/44/54/83/516445483.db2.gz OBRHYBXFZULBHR-INIZCTEOSA-N 1 0 357.410 2.783 20 5 FFBDRO CCc1ccc([C@H](CO)[NH2+]CC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000543842924 516455543 /nfs/dbraw/zinc/45/55/43/516455543.db2.gz SKGANIAMNMTNPJ-SFHVURJKSA-N 1 0 357.410 2.727 20 5 FFBDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000513111073 516479691 /nfs/dbraw/zinc/47/96/91/516479691.db2.gz XUMNIMDMIBOOJZ-MRXNPFEDSA-N 1 0 356.426 2.953 20 5 FFBDRO C[NH+](C)C[C@H](NC(=O)NCc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000554523110 516483856 /nfs/dbraw/zinc/48/38/56/516483856.db2.gz MHZSVOBWKTUYBY-KRWDZBQOSA-N 1 0 360.389 2.836 20 5 FFBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000557877163 516484332 /nfs/dbraw/zinc/48/43/32/516484332.db2.gz AKYCUOJHBRQFFU-HOTGVXAUSA-N 1 0 362.474 2.899 20 5 FFBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000523595143 516514432 /nfs/dbraw/zinc/51/44/32/516514432.db2.gz SUXLISMTCMHKBB-OAGGEKHMSA-N 1 0 362.474 2.803 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CCc2c[nH]c3ccccc23)cc1 ZINC000554719962 516604441 /nfs/dbraw/zinc/60/44/41/516604441.db2.gz DOQOAALXEZLSCR-UHFFFAOYSA-N 1 0 373.434 2.682 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCOC2(CCOCC2)C1 ZINC000561542101 516641046 /nfs/dbraw/zinc/64/10/46/516641046.db2.gz CSWZHXFGUBOTTJ-OAHLLOKOSA-N 1 0 350.415 2.811 20 5 FFBDRO CCOC(=O)c1ccnc(N2CCC(C[N@H+](C)C(C)C)CC2)c1[N+](=O)[O-] ZINC000524105634 516642751 /nfs/dbraw/zinc/64/27/51/516642751.db2.gz FJAMEFXXACMUHE-UHFFFAOYSA-N 1 0 364.446 2.723 20 5 FFBDRO CS(=O)(=O)[C@H]1CCC[C@@H]([NH2+]CCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000551313262 516655589 /nfs/dbraw/zinc/65/55/89/516655589.db2.gz KEYWXGFWVOTMNJ-WBVHZDCISA-N 1 0 354.472 2.863 20 5 FFBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000536169431 516661625 /nfs/dbraw/zinc/66/16/25/516661625.db2.gz MEHWUSCXZGQORR-HNNXBMFYSA-N 1 0 370.453 2.809 20 5 FFBDRO CC(C)[NH+]1CCN([C@@H]2CCN(Cc3c(Cl)cccc3[N+](=O)[O-])C2)CC1 ZINC000547968080 516664325 /nfs/dbraw/zinc/66/43/25/516664325.db2.gz BZUUDBIOGIWUCK-OAHLLOKOSA-N 1 0 366.893 2.849 20 5 FFBDRO CC(C)[N@@H+]1CCCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000524199366 516667115 /nfs/dbraw/zinc/66/71/15/516667115.db2.gz XQXWMFZWVOGCIS-UHFFFAOYSA-N 1 0 369.849 2.960 20 5 FFBDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000536187754 516667364 /nfs/dbraw/zinc/66/73/64/516667364.db2.gz ARHWUOADEFVLFL-OKILXGFUSA-N 1 0 358.442 2.998 20 5 FFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000558260606 516668019 /nfs/dbraw/zinc/66/80/19/516668019.db2.gz ZZKWEGJRJMOHQW-KSSFIOAISA-N 1 0 357.410 2.505 20 5 FFBDRO Cc1nc2ccccn2c(=O)c1CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000554940586 516709987 /nfs/dbraw/zinc/70/99/87/516709987.db2.gz QYDALVFRKMSMPY-ZDUSSCGKSA-N 1 0 352.394 2.804 20 5 FFBDRO CCC[NH+](CCC)CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000524410246 516714163 /nfs/dbraw/zinc/71/41/63/516714163.db2.gz XOGLXVFVMRTIAN-UHFFFAOYSA-N 1 0 361.439 2.524 20 5 FFBDRO CC[C@@H](CO)[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000544408510 516745049 /nfs/dbraw/zinc/74/50/49/516745049.db2.gz QCXROKSJUOCGPC-KRWDZBQOSA-N 1 0 371.437 2.831 20 5 FFBDRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000551533858 516749845 /nfs/dbraw/zinc/74/98/45/516749845.db2.gz IUPYMLSRMYZAKS-QGZVFWFLSA-N 1 0 357.410 2.945 20 5 FFBDRO CC[C@@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1c(C)nn(C)c1C ZINC000544418370 516751424 /nfs/dbraw/zinc/75/14/24/516751424.db2.gz NHVZNLPHKHNTRG-IAGOWNOFSA-N 1 0 371.441 2.791 20 5 FFBDRO CC[C@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1c(C)nn(C)c1C ZINC000544418371 516751622 /nfs/dbraw/zinc/75/16/22/516751622.db2.gz NHVZNLPHKHNTRG-IRXDYDNUSA-N 1 0 371.441 2.791 20 5 FFBDRO CSC1(CNC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)CC[NH+](C)CC1 ZINC000558555957 516805866 /nfs/dbraw/zinc/80/58/66/516805866.db2.gz WGVFZDLULPGOLR-CYBMUJFWSA-N 1 0 351.472 2.642 20 5 FFBDRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000558584173 516820574 /nfs/dbraw/zinc/82/05/74/516820574.db2.gz XTPINXZOGLAXEJ-INIZCTEOSA-N 1 0 365.477 3.000 20 5 FFBDRO C[C@H](NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)C1=CC[N@H+](C)CC1 ZINC000541025122 516837419 /nfs/dbraw/zinc/83/74/19/516837419.db2.gz DJNSFGOSPYZQID-JTQLQIEISA-N 1 0 355.341 2.576 20 5 FFBDRO CCOc1cc(CN2CCC([N@@H+]3CCOC[C@@H]3C)CC2)ccc1[N+](=O)[O-] ZINC000518995792 516849976 /nfs/dbraw/zinc/84/99/76/516849976.db2.gz IYGUWBZKTBYZSC-HNNXBMFYSA-N 1 0 363.458 2.679 20 5 FFBDRO COc1ccc(NC(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000541106691 516878604 /nfs/dbraw/zinc/87/86/04/516878604.db2.gz UPAHZQKNWVBKJU-QWHCGFSZSA-N 1 0 350.419 2.845 20 5 FFBDRO CC(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[NH+](C2CC2)CC1 ZINC000555362102 516899844 /nfs/dbraw/zinc/89/98/44/516899844.db2.gz NUCLYTFYHMAJAT-UHFFFAOYSA-N 1 0 370.457 2.794 20 5 FFBDRO Cn1c(C(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)ccc1[N+](=O)[O-] ZINC000525040930 516900180 /nfs/dbraw/zinc/90/01/80/516900180.db2.gz VIQGSLLLMHTHOU-WBMJQRKESA-N 1 0 362.455 2.808 20 5 FFBDRO COc1cc(C(=O)NCC[N@H+](C)C2CCCCC2)cc([N+](=O)[O-])c1OC ZINC000525068379 516906623 /nfs/dbraw/zinc/90/66/23/516906623.db2.gz GXPRBOXFOIQRNM-UHFFFAOYSA-N 1 0 365.430 2.606 20 5 FFBDRO Cc1sc(C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)cc1[N+](=O)[O-] ZINC000525094196 516914251 /nfs/dbraw/zinc/91/42/51/516914251.db2.gz WBFNKFLUCRSADG-UHFFFAOYSA-N 1 0 359.451 2.794 20 5 FFBDRO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000555417389 516920291 /nfs/dbraw/zinc/92/02/91/516920291.db2.gz NIAQMCOXJXYKJG-WBQNTZJQSA-N 1 0 359.426 2.859 20 5 FFBDRO O=C(CC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)N1CCOc2ccccc21 ZINC000551899645 516942579 /nfs/dbraw/zinc/94/25/79/516942579.db2.gz PLHQJDUDLHSWFF-UHFFFAOYSA-N 1 0 367.405 2.769 20 5 FFBDRO CC(C)[C@H]1CCCC[C@H]1[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000536858082 516956922 /nfs/dbraw/zinc/95/69/22/516956922.db2.gz OHQFBAURSZPADK-HUUCEWRRSA-N 1 0 369.487 2.678 20 5 FFBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000562223531 516966487 /nfs/dbraw/zinc/96/64/87/516966487.db2.gz LOVJSHGKTRZTII-AWEZNQCLSA-N 1 0 373.457 2.846 20 5 FFBDRO COc1cccc(C[C@@H]2CCC[N@@H+]2Cc2ccc(C(N)=O)cc2[N+](=O)[O-])c1 ZINC000532484371 516998727 /nfs/dbraw/zinc/99/87/27/516998727.db2.gz SBZJHYPKCMVXKL-KRWDZBQOSA-N 1 0 369.421 2.909 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCC2([NH+](C)C)CCCCC2)c1C ZINC000514688883 517005549 /nfs/dbraw/zinc/00/55/49/517005549.db2.gz YISZBYZBUWBLBV-UHFFFAOYSA-N 1 0 369.487 2.754 20 5 FFBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000525385636 517023783 /nfs/dbraw/zinc/02/37/83/517023783.db2.gz FCQCQYPGIBKAQG-DZGCQCFKSA-N 1 0 369.487 2.651 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCC[C@@H](C)[NH+]2CCCCC2)cc1C ZINC000541388918 517024482 /nfs/dbraw/zinc/02/44/82/517024482.db2.gz DBTPMMSCZLBICH-OAHLLOKOSA-N 1 0 369.487 2.754 20 5 FFBDRO CCOC(=O)c1ccc(N2CC([NH2+][C@H](C)c3ccc([N+](=O)[O-])cc3)C2)nc1 ZINC000541567579 517115471 /nfs/dbraw/zinc/11/54/71/517115471.db2.gz FTJMIBPMOZPGNF-CYBMUJFWSA-N 1 0 370.409 2.706 20 5 FFBDRO CC(C)CN(CC[NH+](C)C)C(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000532733665 517118243 /nfs/dbraw/zinc/11/82/43/517118243.db2.gz HIWHRTHMEQACRO-UHFFFAOYSA-N 1 0 374.441 2.568 20 5 FFBDRO COC(=O)[C@H]1CCCC[C@]1(C)[NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000537273443 517118492 /nfs/dbraw/zinc/11/84/92/517118492.db2.gz JMOHNZSZJFOMPU-ACJLOTCBSA-N 1 0 363.414 2.553 20 5 FFBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000555787010 517121338 /nfs/dbraw/zinc/12/13/38/517121338.db2.gz QRENMMYRLDQKDL-AWEZNQCLSA-N 1 0 370.247 2.736 20 5 FFBDRO COc1cc(C[N@@H+]2CCC[C@H]([C@@H]3CCOC3)C2)c([N+](=O)[O-])cc1OC ZINC000552190219 517131022 /nfs/dbraw/zinc/13/10/22/517131022.db2.gz CWKCLRQDWNYIFS-UONOGXRCSA-N 1 0 350.415 2.861 20 5 FFBDRO O=C1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CN1[C@H]1C[C@H]1c1ccccc1 ZINC000537313846 517140040 /nfs/dbraw/zinc/14/00/40/517140040.db2.gz GDLBLJSUVNKIRR-WDSOQIARSA-N 1 0 351.406 2.841 20 5 FFBDRO Cc1ccc(NCCCNC(=O)NCc2ccc(C[NH3+])cc2)c([N+](=O)[O-])c1 ZINC000519713577 517142333 /nfs/dbraw/zinc/14/23/33/517142333.db2.gz MNTPDWRYAKCQQL-UHFFFAOYSA-N 1 0 371.441 2.663 20 5 FFBDRO CC[S@](=O)[C@@H]1CCC[C@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000515054186 517191345 /nfs/dbraw/zinc/19/13/45/517191345.db2.gz AESOPRGMCGELRB-ODZUORAKSA-N 1 0 367.471 2.593 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]Cc2ccc(Cl)s2)cc1 ZINC000541762881 517204364 /nfs/dbraw/zinc/20/43/64/517204364.db2.gz OAYXMCYKJFWWNF-UHFFFAOYSA-N 1 0 360.844 2.873 20 5 FFBDRO CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)C1 ZINC000541817732 517231247 /nfs/dbraw/zinc/23/12/47/517231247.db2.gz RQHJGNFYYHDBNI-OAHLLOKOSA-N 1 0 369.487 2.564 20 5 FFBDRO CNc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000520105469 517274765 /nfs/dbraw/zinc/27/47/65/517274765.db2.gz PUEVKIKYLMQEGH-UHFFFAOYSA-N 1 0 374.416 2.980 20 5 FFBDRO COc1ccc(NC(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000542036033 517350527 /nfs/dbraw/zinc/35/05/27/517350527.db2.gz FEYLQFSTUGUCOO-INIZCTEOSA-N 1 0 372.425 2.898 20 5 FFBDRO C[N@@H+]1CCC[C@@H](CNC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000556565019 517495118 /nfs/dbraw/zinc/49/51/18/517495118.db2.gz XSSYAYKWDJHIJV-DOTOQJQBSA-N 1 0 360.458 2.826 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCC[C@@H](C)[NH+]2CCCCC2)c1C ZINC000542317907 517500605 /nfs/dbraw/zinc/50/06/05/517500605.db2.gz PHPQPGYNLUXKPF-CQSZACIVSA-N 1 0 369.487 2.754 20 5 FFBDRO CN(c1cccc(C(N)=O)c1[N+](=O)[O-])[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000553155110 517548408 /nfs/dbraw/zinc/54/84/08/517548408.db2.gz YGJGBOQPTQKWQA-MRXNPFEDSA-N 1 0 368.437 2.795 20 5 FFBDRO COc1ccc(CNC(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000516158268 517591798 /nfs/dbraw/zinc/59/17/98/517591798.db2.gz SEKFVQXAAWWZHE-UONOGXRCSA-N 1 0 364.446 2.666 20 5 FFBDRO CCC[N@@H+]1CC[C@H](CNc2ncc([N+](=O)[O-])c(C)c2Br)C1 ZINC000542520328 517607481 /nfs/dbraw/zinc/60/74/81/517607481.db2.gz BZWNONOKJMXMAO-LLVKDONJSA-N 1 0 357.252 2.626 20 5 FFBDRO CN(C)c1nccc(C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])n1 ZINC000538409843 517608926 /nfs/dbraw/zinc/60/89/26/517608926.db2.gz YWTVFSXTNICNCT-YOEHRIQHSA-N 1 0 355.442 2.952 20 5 FFBDRO C[NH+](C)CCc1ccccc1NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000527341627 517649277 /nfs/dbraw/zinc/64/92/77/517649277.db2.gz SDYWRMLJYGTJLI-UHFFFAOYSA-N 1 0 371.393 2.722 20 5 FFBDRO C[N@@H+]1CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)C[C@@H]1Cc1ccccc1 ZINC000553343488 517654854 /nfs/dbraw/zinc/65/48/54/517654854.db2.gz ROVSHSOWGQWSBX-INIZCTEOSA-N 1 0 352.438 2.926 20 5 FFBDRO CCc1n[nH]c(C(=O)N(CCCc2ccccc2)CC[NH+](C)C)c1[N+](=O)[O-] ZINC000521234649 517662537 /nfs/dbraw/zinc/66/25/37/517662537.db2.gz DRSFWSRIFMAVCO-UHFFFAOYSA-N 1 0 373.457 2.517 20 5 FFBDRO CNC(=O)[C@@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)Cc1ccc(F)cc1C ZINC000563121586 517673080 /nfs/dbraw/zinc/67/30/80/517673080.db2.gz QFOABPAOXWRJJY-MRXNPFEDSA-N 1 0 359.401 2.737 20 5 FFBDRO CCCN(CC[NH+]1CCCC1)C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000553398503 517689057 /nfs/dbraw/zinc/68/90/57/517689057.db2.gz FHJBFDFTLMNXKX-UHFFFAOYSA-N 1 0 371.441 2.729 20 5 FFBDRO O=C(CC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)Nc1ccccn1 ZINC000538615149 517691126 /nfs/dbraw/zinc/69/11/26/517691126.db2.gz ONSLYYVOEWQFCD-MRXNPFEDSA-N 1 0 354.410 2.929 20 5 FFBDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])C1(S(C)(=O)=O)CC1 ZINC000556925312 517751694 /nfs/dbraw/zinc/75/16/94/517751694.db2.gz PKOJSYBXHAWJEU-SQWLQELKSA-N 1 0 366.483 2.861 20 5 FFBDRO CC[C@@H](C)[NH2+][C@H](CNc1nc(C(=O)OC)ccc1[N+](=O)[O-])c1ccco1 ZINC000553601484 517803318 /nfs/dbraw/zinc/80/33/18/517803318.db2.gz MZUAVZYHZSLOIM-DGCLKSJQSA-N 1 0 362.386 2.911 20 5 FFBDRO COC(=O)COc1ccc(C[NH+]2CCc3ccccc3CC2)cc1[N+](=O)[O-] ZINC000530500005 517812578 /nfs/dbraw/zinc/81/25/78/517812578.db2.gz FZJNKAQKZVJAPH-UHFFFAOYSA-N 1 0 370.405 2.747 20 5 FFBDRO C[NH+]1CCN(C[C@@H](Nc2ncc([N+](=O)[O-])cc2F)c2ccccc2)CC1 ZINC000563312083 517812906 /nfs/dbraw/zinc/81/29/06/517812906.db2.gz TVFGGMRFEQNWRM-QGZVFWFLSA-N 1 0 359.405 2.530 20 5 FFBDRO [NH3+]C[C@H]1CC[C@@H](NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C1 ZINC000521860101 517875884 /nfs/dbraw/zinc/87/58/84/517875884.db2.gz UCRLKADZJXYCBY-GXFFZTMASA-N 1 0 371.387 2.817 20 5 FFBDRO COc1cc(C[C@@H](CO)C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)cc(OC)c1 ZINC000530631079 517889019 /nfs/dbraw/zinc/88/90/19/517889019.db2.gz QJHLCYBNZROQME-QGZVFWFLSA-N 1 0 374.437 2.861 20 5 FFBDRO CC[C@H]([NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H](O)C(F)(F)F ZINC000539045568 517895364 /nfs/dbraw/zinc/89/53/64/517895364.db2.gz BDLWUDIWHXTGTA-WFBYXXMGSA-N 1 0 363.336 2.603 20 5 FFBDRO CNc1ccc(C(=O)N(C)CCC[N@H+](C)Cc2ccco2)cc1[N+](=O)[O-] ZINC000557166220 517895457 /nfs/dbraw/zinc/89/54/57/517895457.db2.gz XIKIEMLAPVIZJE-UHFFFAOYSA-N 1 0 360.414 2.824 20 5 FFBDRO Cc1c([C@@H](C)[NH2+]C[C@@H](N2CCOCC2)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000560583159 517908924 /nfs/dbraw/zinc/90/89/24/517908924.db2.gz RDQGYUNZGHPPIC-IUODEOHRSA-N 1 0 361.364 2.817 20 5 FFBDRO Cc1c([C@H](C)[NH2+]C[C@H](N2CCOCC2)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000560583161 517909597 /nfs/dbraw/zinc/90/95/97/517909597.db2.gz RDQGYUNZGHPPIC-WFASDCNBSA-N 1 0 361.364 2.817 20 5 FFBDRO O=C(Nc1cccc2c1CC[NH2+]C2)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000563499377 517938060 /nfs/dbraw/zinc/93/80/60/517938060.db2.gz YRFDTAOHJTWMJB-UHFFFAOYSA-N 1 0 352.394 2.831 20 5 FFBDRO NC(=O)[C@@H](Cc1ccc(F)cc1)[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000543163770 517941488 /nfs/dbraw/zinc/94/14/88/517941488.db2.gz PCFOGBKIKIAZCL-GOSISDBHSA-N 1 0 359.401 2.743 20 5 FFBDRO O=C(NCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000522044279 517961987 /nfs/dbraw/zinc/96/19/87/517961987.db2.gz IWGSTWLHMGXIAJ-UHFFFAOYSA-N 1 0 369.421 2.999 20 5 FFBDRO C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000534925965 518085827 /nfs/dbraw/zinc/08/58/27/518085827.db2.gz OAFJPNWKQGDVOB-UHFFFAOYSA-N 1 0 361.373 2.644 20 5 FFBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000522364768 518088168 /nfs/dbraw/zinc/08/81/68/518088168.db2.gz BJLIFOBMXLCTDQ-SUMWQHHRSA-N 1 0 367.421 2.601 20 5 FFBDRO O=[N+]([O-])c1cccc2ncnc(N3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)c21 ZINC000543435061 518088359 /nfs/dbraw/zinc/08/83/59/518088359.db2.gz CTVYKKKYZQINBC-CZUORRHYSA-N 1 0 353.426 2.991 20 5 FFBDRO C[C@@H]1CN(C[C@H]2CCC[N@@H+]2CCOc2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000557603229 518101719 /nfs/dbraw/zinc/10/17/19/518101719.db2.gz JXEBVYCAEYMYPY-JFIYKMOQSA-N 1 0 363.458 2.547 20 5 FFBDRO CC[N@H+](C)[C@H](C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000539780687 518159699 /nfs/dbraw/zinc/15/96/99/518159699.db2.gz UHHPGFGNDJVYNT-SFHVURJKSA-N 1 0 354.410 2.568 20 5 FFBDRO Cn1cc([C@@H](CO)[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)cn1 ZINC000535249683 518170200 /nfs/dbraw/zinc/17/02/00/518170200.db2.gz ALJRZVSNFUOIJY-MRXNPFEDSA-N 1 0 358.423 2.880 20 5 FFBDRO O=c1[nH]c2ccccc2n1CCC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000572550805 518243794 /nfs/dbraw/zinc/24/37/94/518243794.db2.gz JBKNTTQFEYZXIO-UHFFFAOYSA-N 1 0 370.413 2.574 20 5 FFBDRO C[C@@H]1CCCC[C@@H]1OCC[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000572558154 518246652 /nfs/dbraw/zinc/24/66/52/518246652.db2.gz UEMSMAFADJRGEH-VYDXJSESSA-N 1 0 352.431 2.519 20 5 FFBDRO CCO[C@@H]1C[C@@H]([NH2+]CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C12CCCC2 ZINC000581396716 518263981 /nfs/dbraw/zinc/26/39/81/518263981.db2.gz QRMADWKUKNEAJT-QZTJIDSGSA-N 1 0 373.453 2.811 20 5 FFBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N1CCC[N@H+](CC2CCC2)CC1 ZINC000567066022 518335892 /nfs/dbraw/zinc/33/58/92/518335892.db2.gz XEANFRJSBTYVGG-UHFFFAOYSA-N 1 0 360.458 2.731 20 5 FFBDRO COc1ccc2c(c1)OC[C@H]([NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)C2 ZINC000584477322 518360652 /nfs/dbraw/zinc/36/06/52/518360652.db2.gz NHIPHGSZJCBJPS-OIISXLGYSA-N 1 0 372.425 2.877 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(CC(=O)Nc2ccccc2C[NH+](C)C)c1F ZINC000572844186 518388138 /nfs/dbraw/zinc/38/81/38/518388138.db2.gz JJCURDVTJXEWRR-UHFFFAOYSA-N 1 0 361.373 2.985 20 5 FFBDRO COc1ccc(C[C@H](CO)C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])cc1O ZINC000576074553 518415227 /nfs/dbraw/zinc/41/52/27/518415227.db2.gz KVPPSDKVDYWQHR-LEXSJLIMSA-N 1 0 372.421 2.763 20 5 FFBDRO O=C(CN1CCCC[C@@H]1[C@@H]1CCC[NH2+]1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000581716660 518421363 /nfs/dbraw/zinc/42/13/63/518421363.db2.gz MQEHIZISTJXEDC-DZGCQCFKSA-N 1 0 366.849 2.793 20 5 FFBDRO O=C(CCOC1C[NH2+]C1)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000581720904 518425246 /nfs/dbraw/zinc/42/52/46/518425246.db2.gz NODFOLMWJYKABB-UHFFFAOYSA-N 1 0 357.366 2.704 20 5 FFBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCCSCC1CC[NH2+]CC1 ZINC000576157072 518455941 /nfs/dbraw/zinc/45/59/41/518455941.db2.gz ZEKZQVFGFWIGDK-UHFFFAOYSA-N 1 0 351.428 2.626 20 5 FFBDRO CO[C@H](C)[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000567318649 518460753 /nfs/dbraw/zinc/46/07/53/518460753.db2.gz SHSZARIFKBHESJ-KXUCPTDWSA-N 1 0 363.336 2.954 20 5 FFBDRO C[C@H](CCc1ccc(O)cc1)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000584775888 518472011 /nfs/dbraw/zinc/47/20/11/518472011.db2.gz VZQCEQMPLUCONS-RHSMWYFYSA-N 1 0 360.410 2.651 20 5 FFBDRO Cc1ccc([C@@H](C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])N(C)C)cc1 ZINC000579111163 518526853 /nfs/dbraw/zinc/52/68/53/518526853.db2.gz VGLGRIOTDIYSBP-IEBWSBKVSA-N 1 0 373.453 2.535 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@H]1COc2ccc(Cl)cc21 ZINC000579228346 518583439 /nfs/dbraw/zinc/58/34/39/518583439.db2.gz JSJMNGCCFFQEEK-JSGCOSHPSA-N 1 0 364.785 2.711 20 5 FFBDRO C[N@@H+]1CCO[C@@H]2CCN(c3ccc([N+](=O)[O-])c(-c4ccc(F)cc4)n3)C[C@H]21 ZINC000585781918 518595763 /nfs/dbraw/zinc/59/57/63/518595763.db2.gz CXXAPYLQXGSABT-IAGOWNOFSA-N 1 0 372.400 2.705 20 5 FFBDRO C[N@@H+]1CC[C@H]2OCCN(c3ccc([N+](=O)[O-])c(-c4ccc(F)cc4)n3)[C@H]2C1 ZINC000585783608 518596076 /nfs/dbraw/zinc/59/60/76/518596076.db2.gz KQEBSEGZCLRTHT-DLBZAZTESA-N 1 0 372.400 2.705 20 5 FFBDRO Cc1[nH+]c2c(n1CCCn1c3cc([N+](=O)[O-])ccc3oc1=O)CCCC2 ZINC000570465023 518619242 /nfs/dbraw/zinc/61/92/42/518619242.db2.gz ZWIILNDMJIHXAQ-UHFFFAOYSA-N 1 0 356.382 2.977 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cc1SC ZINC000579343077 518635882 /nfs/dbraw/zinc/63/58/82/518635882.db2.gz BKDAJPUTFQFSFW-SRVKXCTJSA-N 1 0 367.471 2.771 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cc1SC ZINC000579343083 518636296 /nfs/dbraw/zinc/63/62/96/518636296.db2.gz BKDAJPUTFQFSFW-UTUOFQBUSA-N 1 0 367.471 2.771 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2CCO[C@H](c3ccccc3)C2)c1 ZINC000579345500 518636871 /nfs/dbraw/zinc/63/68/71/518636871.db2.gz GEYADGCCWZUYHB-POAQFYNOSA-N 1 0 372.421 2.844 20 5 FFBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])C[C@H]21 ZINC000567668009 518641282 /nfs/dbraw/zinc/64/12/82/518641282.db2.gz NVHJWRXPGOYTQA-RAIGVLPGSA-N 1 0 369.874 2.926 20 5 FFBDRO CS[C@H](C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000579465743 518695676 /nfs/dbraw/zinc/69/56/76/518695676.db2.gz GMYDMSDQHDIOMU-CQSZACIVSA-N 1 0 360.501 2.736 20 5 FFBDRO CN(c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C1CC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000565128459 518801511 /nfs/dbraw/zinc/80/15/11/518801511.db2.gz VWGJFAIJHFGMSY-QGZVFWFLSA-N 1 0 368.441 2.861 20 5 FFBDRO Cc1ccc(S(=O)(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)cc1[N+](=O)[O-] ZINC000573720716 518802831 /nfs/dbraw/zinc/80/28/31/518802831.db2.gz ZVGNBGUYYMBPFQ-OAHLLOKOSA-N 1 0 357.476 2.548 20 5 FFBDRO C[C@@H](C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH+]1[C@H](C)CC[C@H]1C ZINC000576915291 518823150 /nfs/dbraw/zinc/82/31/50/518823150.db2.gz LWRNHPQRALITKB-MCIONIFRSA-N 1 0 358.442 2.996 20 5 FFBDRO O=C(NCC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1c(F)cccc1F ZINC000576957730 518847581 /nfs/dbraw/zinc/84/75/81/518847581.db2.gz RKTIDNYIJMFTEX-OAHLLOKOSA-N 1 0 361.348 2.880 20 5 FFBDRO O=C(NCC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1c(F)cccc1F ZINC000576957729 518847667 /nfs/dbraw/zinc/84/76/67/518847667.db2.gz RKTIDNYIJMFTEX-HNNXBMFYSA-N 1 0 361.348 2.880 20 5 FFBDRO C[NH+](C)CCCOc1cnccc1CNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000576970712 518854573 /nfs/dbraw/zinc/85/45/73/518854573.db2.gz QOAPIWOWACEIDF-UHFFFAOYSA-N 1 0 373.413 2.642 20 5 FFBDRO C[NH+](C)CCCOc1cnccc1CNCc1ccc([N+](=O)[O-])cc1F ZINC000588932316 518873819 /nfs/dbraw/zinc/87/38/19/518873819.db2.gz BPVWMXMSNXVDER-UHFFFAOYSA-N 1 0 362.405 2.749 20 5 FFBDRO C[C@@H]1C[C@@H](C[N@@H+]2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)CCO1 ZINC000571019500 518886661 /nfs/dbraw/zinc/88/66/61/518886661.db2.gz GJLREGDKHUZYLS-CABCVRRESA-N 1 0 373.457 2.798 20 5 FFBDRO CC(C)c1nnc2n1C[C@H]([NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)CC2 ZINC000580033229 518970132 /nfs/dbraw/zinc/97/01/32/518970132.db2.gz DVSJUFWYIFIFKB-RBSFLKMASA-N 1 0 373.461 2.595 20 5 FFBDRO O=C1COc2ccc(C[NH2+]CCc3c[nH]c4ccc([N+](=O)[O-])cc34)cc2N1 ZINC000574062972 518970910 /nfs/dbraw/zinc/97/09/10/518970910.db2.gz OEEMLUMKLPTOCK-UHFFFAOYSA-N 1 0 366.377 2.739 20 5 FFBDRO Cc1cc2ncn(C[C@H](O)C[NH2+]CCc3ccccc3[N+](=O)[O-])c2cc1C ZINC000574150683 519012284 /nfs/dbraw/zinc/01/22/84/519012284.db2.gz FCTARFPICDPTJJ-QGZVFWFLSA-N 1 0 368.437 2.755 20 5 FFBDRO C[C@H](C(=O)Nc1cccc(C[N@@H+]2CC[C@H](O)C2)c1)c1cccc([N+](=O)[O-])c1 ZINC000577338973 519028622 /nfs/dbraw/zinc/02/86/22/519028622.db2.gz FKVNDYPICYXYEN-LIRRHRJNSA-N 1 0 369.421 2.904 20 5 FFBDRO Cc1cc(N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)c(F)cc1[N+](=O)[O-] ZINC000589687924 519064631 /nfs/dbraw/zinc/06/46/31/519064631.db2.gz RPIYNPNLXPOFRY-HNNXBMFYSA-N 1 0 350.438 2.647 20 5 FFBDRO C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCS1(=O)=O ZINC000565780889 519130849 /nfs/dbraw/zinc/13/08/49/519130849.db2.gz PXUPYGGERJNEER-NHYWBVRUSA-N 1 0 350.396 2.520 20 5 FFBDRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000580489099 519199671 /nfs/dbraw/zinc/19/96/71/519199671.db2.gz UZLLHGVBASIABN-HNNXBMFYSA-N 1 0 351.447 2.541 20 5 FFBDRO C[NH+](C)C[C@@H](NC(=O)CCNc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000566030161 519253453 /nfs/dbraw/zinc/25/34/53/519253453.db2.gz INBZNJQMLIWWCP-QGZVFWFLSA-N 1 0 374.416 2.955 20 5 FFBDRO CC(C)c1ccc(C(=O)N2CCOC[C@H]2[C@@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000590566391 519268951 /nfs/dbraw/zinc/26/89/51/519268951.db2.gz ZRKUXBIHXYTAME-WMZOPIPTSA-N 1 0 361.442 2.653 20 5 FFBDRO COC(=O)c1ccnc(NC[C@H](c2ccsc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000590571579 519269544 /nfs/dbraw/zinc/26/95/44/519269544.db2.gz SDZJDWASWVCGSJ-GFCCVEGCSA-N 1 0 350.400 2.553 20 5 FFBDRO COC(=O)c1ccnc(NC[C@H](c2ccc(F)cc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000590574598 519272149 /nfs/dbraw/zinc/27/21/49/519272149.db2.gz LRQNGSXGCILMQO-CQSZACIVSA-N 1 0 362.361 2.630 20 5 FFBDRO CC(C)(C)[N@@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CC1 ZINC000590626636 519294195 /nfs/dbraw/zinc/29/41/95/519294195.db2.gz LVAPWAJSQYEJMQ-UHFFFAOYSA-N 1 0 371.441 2.727 20 5 FFBDRO CC(C)(C)[C@@H]1OCCC[C@H]1C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000566117021 519311587 /nfs/dbraw/zinc/31/15/87/519311587.db2.gz LMWDPULFAALSQR-QILLFSRXSA-N 1 0 366.458 2.765 20 5 FFBDRO Cc1ccc(C[C@H](CO)[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)cc1C ZINC000590781503 519365574 /nfs/dbraw/zinc/36/55/74/519365574.db2.gz DGVIWWDDPDMAIB-QGZVFWFLSA-N 1 0 372.421 2.676 20 5 FFBDRO C[C@H]([NH3+])[C@H](C)NC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000566213939 519374057 /nfs/dbraw/zinc/37/40/57/519374057.db2.gz BOFBCRMZHJWNFI-YUMQZZPRSA-N 1 0 372.212 2.553 20 5 FFBDRO CS[C@H]1CCC[C@@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000571993730 519385495 /nfs/dbraw/zinc/38/54/95/519385495.db2.gz HKONDNMBBYFMHA-OCCSQVGLSA-N 1 0 358.485 2.632 20 5 FFBDRO O=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000574950131 519417747 /nfs/dbraw/zinc/41/77/47/519417747.db2.gz RFZPGHQJLNIKOY-INIZCTEOSA-N 1 0 356.426 2.955 20 5 FFBDRO C[NH+](C)[C@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)C1 ZINC000583822983 519452186 /nfs/dbraw/zinc/45/21/86/519452186.db2.gz FNLWYZQIBXFLMU-KGLIPLIRSA-N 1 0 366.437 2.855 20 5 FFBDRO C[C@@H](C(=O)NC1CC[NH+](Cc2ccccn2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000572223225 519503841 /nfs/dbraw/zinc/50/38/41/519503841.db2.gz JHVBRJJZSZKGMQ-OAHLLOKOSA-N 1 0 368.437 2.874 20 5 FFBDRO CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000569374933 519518776 /nfs/dbraw/zinc/51/87/76/519518776.db2.gz YXGKZZYTEVOMOA-INIZCTEOSA-N 1 0 358.442 2.951 20 5 FFBDRO COC1(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCC(C)CC1 ZINC000578351180 519549591 /nfs/dbraw/zinc/54/95/91/519549591.db2.gz KVSZBZINKPNGQX-SWKXRBFHSA-N 1 0 352.431 2.519 20 5 FFBDRO CCCN(CC[NH+](CC)CC)C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000575356491 519602296 /nfs/dbraw/zinc/60/22/96/519602296.db2.gz HXEWKDAOKLQDSC-UHFFFAOYSA-N 1 0 357.401 2.996 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H](O)[C@@H]1CCc1ccccc1 ZINC000602851526 519923893 /nfs/dbraw/zinc/92/38/93/519923893.db2.gz LOIRZUISEHHLNW-ZWKOTPCHSA-N 1 0 358.442 2.558 20 5 FFBDRO CCC(C)(C)[NH+]1CCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC1 ZINC000594389872 519936017 /nfs/dbraw/zinc/93/60/17/519936017.db2.gz PHOZVNMIRNKUJA-UHFFFAOYSA-N 1 0 371.441 2.727 20 5 FFBDRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000594417592 519954083 /nfs/dbraw/zinc/95/40/83/519954083.db2.gz CCRYPJQOOHITKG-YJBOKZPZSA-N 1 0 369.425 2.732 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000594420538 519956606 /nfs/dbraw/zinc/95/66/06/519956606.db2.gz WGCQUQRGERUJIA-HZPDHXFCSA-N 1 0 361.442 2.805 20 5 FFBDRO Cc1cc(C)c(S(=O)(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000594485147 519994204 /nfs/dbraw/zinc/99/42/04/519994204.db2.gz XJZYGDVAOOVVMP-GJZGRUSLSA-N 1 0 367.471 2.507 20 5 FFBDRO C[C@H](C[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C ZINC000594514322 520009735 /nfs/dbraw/zinc/00/97/35/520009735.db2.gz NVEKWKOMPFXEKC-OLZOCXBDSA-N 1 0 365.430 2.879 20 5 FFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCCN2CCCC[C@@H]12 ZINC000594519481 520012577 /nfs/dbraw/zinc/01/25/77/520012577.db2.gz LCTQOTRKDXYKMO-OLMNPRSZSA-N 1 0 360.458 2.918 20 5 FFBDRO CCc1n[nH]c(C(=O)N2CCC(C[NH+]3CCCCCC3)CC2)c1[N+](=O)[O-] ZINC000608800304 520132274 /nfs/dbraw/zinc/13/22/74/520132274.db2.gz OOWAUUPMRFVXDS-UHFFFAOYSA-N 1 0 363.462 2.609 20 5 FFBDRO CC[NH+](CC)CCn1c(NC(=O)c2ccc([N+](=O)[O-])[nH]2)nc2ccccc21 ZINC000608880071 520154378 /nfs/dbraw/zinc/15/43/78/520154378.db2.gz RZMGJCZHAFPLCS-UHFFFAOYSA-N 1 0 370.413 2.867 20 5 FFBDRO C[NH+]1CCC2(CCN(C(=O)CCC(=O)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000597662846 520163908 /nfs/dbraw/zinc/16/39/08/520163908.db2.gz ANNFKYPYFBADBB-UHFFFAOYSA-N 1 0 359.426 2.502 20 5 FFBDRO Cc1c(Br)cc(C(=O)N2CC[C@H]([NH+](C)C)[C@H]2C)cc1[N+](=O)[O-] ZINC000597699645 520183609 /nfs/dbraw/zinc/18/36/09/520183609.db2.gz LHBBFKDVCQKLPY-MFKMUULPSA-N 1 0 370.247 2.830 20 5 FFBDRO C[N@@H+]1CCCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000600315928 520200571 /nfs/dbraw/zinc/20/05/71/520200571.db2.gz XHNZJBUASGVIKZ-NSHDSACASA-N 1 0 370.247 2.819 20 5 FFBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000609196594 520228699 /nfs/dbraw/zinc/22/86/99/520228699.db2.gz ZRWIMUSZIXRFDF-AWEZNQCLSA-N 1 0 369.487 2.700 20 5 FFBDRO C[C@H]1CC[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CS1(=O)=O ZINC000594973773 520236181 /nfs/dbraw/zinc/23/61/81/520236181.db2.gz FDPIRARDCOBRIZ-GXTWGEPZSA-N 1 0 364.423 2.910 20 5 FFBDRO O=[N+]([O-])c1cc2c(cc1CN[C@@H]1CC[N@@H+](C3CCCCC3)C1)OCCO2 ZINC000594977638 520240082 /nfs/dbraw/zinc/24/00/82/520240082.db2.gz MACCUJOYXGXPIU-OAHLLOKOSA-N 1 0 361.442 2.863 20 5 FFBDRO CC1([NH+]2CCOCC2)CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000600411027 520244865 /nfs/dbraw/zinc/24/48/65/520244865.db2.gz QQASQEMOVBRLHT-UHFFFAOYSA-N 1 0 367.833 2.575 20 5 FFBDRO COc1ccc(OCC[N@@H+]2CC3(C[C@@H]2C)CCOCC3)c([N+](=O)[O-])c1 ZINC000592181531 520250716 /nfs/dbraw/zinc/25/07/16/520250716.db2.gz HHSHWOMVIVNISV-AWEZNQCLSA-N 1 0 350.415 2.873 20 5 FFBDRO C[C@@H](c1ccccc1)[C@H](O)C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000595001975 520251537 /nfs/dbraw/zinc/25/15/37/520251537.db2.gz YTHFWWWBNYJZRM-SUMWQHHRSA-N 1 0 358.394 2.620 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000595003781 520252703 /nfs/dbraw/zinc/25/27/03/520252703.db2.gz JZUDNWCXPKGJLX-ZBFHGGJFSA-N 1 0 351.447 2.611 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000595007803 520254537 /nfs/dbraw/zinc/25/45/37/520254537.db2.gz KVZIWTZFRXWODD-CABCVRRESA-N 1 0 363.458 2.755 20 5 FFBDRO CN(CCCC[NH+]1CCCCC1)c1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000603424452 520260217 /nfs/dbraw/zinc/26/02/17/520260217.db2.gz WNABBAMIBANOMX-UHFFFAOYSA-N 1 0 359.430 2.946 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CCCC[C@@H]1N1CCOCC1 ZINC000595022705 520260765 /nfs/dbraw/zinc/26/07/65/520260765.db2.gz VBBOCMZCAMFIKB-WBAXXEDZSA-N 1 0 363.458 2.897 20 5 FFBDRO NC(=O)c1csc(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])n1 ZINC000595080744 520284478 /nfs/dbraw/zinc/28/44/78/520284478.db2.gz AFTSHMURFKGQEA-DGCLKSJQSA-N 1 0 360.439 2.651 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000597859165 520285496 /nfs/dbraw/zinc/28/54/96/520285496.db2.gz AJECOXGMBSPKCX-CYBMUJFWSA-N 1 0 356.426 2.993 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592254570 520292773 /nfs/dbraw/zinc/29/27/73/520292773.db2.gz HDTXCJCBQZSRLU-LSDHHAIUSA-N 1 0 368.437 2.995 20 5 FFBDRO CN(C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000609509327 520336067 /nfs/dbraw/zinc/33/60/67/520336067.db2.gz PYUPCEUULQVJHJ-MRXNPFEDSA-N 1 0 358.442 2.504 20 5 FFBDRO CC[C@@H]1CN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC[C@@H]1[NH3+] ZINC000592331903 520338968 /nfs/dbraw/zinc/33/89/68/520338968.db2.gz CAPFWYOFPLMEQL-RISCZKNCSA-N 1 0 360.439 2.918 20 5 FFBDRO CNc1ccc(C(=O)N2CC[C@H](c3ccc(F)cc3)[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000595224419 520359714 /nfs/dbraw/zinc/35/97/14/520359714.db2.gz GFODIYCZLWEZNZ-HZPDHXFCSA-N 1 0 372.400 2.733 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000609583479 520366939 /nfs/dbraw/zinc/36/69/39/520366939.db2.gz KQVQFTJYTFFNNX-NWDGAFQWSA-N 1 0 369.849 2.862 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])cc1SC ZINC000595258827 520376593 /nfs/dbraw/zinc/37/65/93/520376593.db2.gz VVXYRTLNVJZLEG-MNOVXSKESA-N 1 0 353.444 2.525 20 5 FFBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595264168 520378325 /nfs/dbraw/zinc/37/83/25/520378325.db2.gz KNOAHLWNCGNBPJ-KRWDZBQOSA-N 1 0 360.458 2.559 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000595268768 520380405 /nfs/dbraw/zinc/38/04/05/520380405.db2.gz KMELRBLIXQXMTD-QZTJIDSGSA-N 1 0 357.385 2.918 20 5 FFBDRO O=C(Cc1ccccc1[N+](=O)[O-])N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000595270381 520382028 /nfs/dbraw/zinc/38/20/28/520382028.db2.gz URNZGGSDGZXZPH-IAGOWNOFSA-N 1 0 357.385 2.538 20 5 FFBDRO C[C@H](CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)[N@@H+]1CCC[C@H](C)C1 ZINC000603895041 520393903 /nfs/dbraw/zinc/39/39/03/520393903.db2.gz JAHANGZZVCXIMP-LSDHHAIUSA-N 1 0 371.441 2.631 20 5 FFBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000609708834 520412109 /nfs/dbraw/zinc/41/21/09/520412109.db2.gz UVAWWJNEHBHFEJ-HNNXBMFYSA-N 1 0 357.476 2.548 20 5 FFBDRO COc1cccc([C@H](C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])OC)c1 ZINC000600747472 520444279 /nfs/dbraw/zinc/44/42/79/520444279.db2.gz XONIATSQXMWPRY-SFHVURJKSA-N 1 0 373.409 2.909 20 5 FFBDRO CC(C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])[nH]1)[N@@H+]1CCc2ccccc2C1 ZINC000604096879 520450740 /nfs/dbraw/zinc/45/07/40/520450740.db2.gz DMPMKDYHDXHKNA-QGZVFWFLSA-N 1 0 356.426 2.736 20 5 FFBDRO CC(C)[C@H]1CN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000592543793 520451655 /nfs/dbraw/zinc/45/16/55/520451655.db2.gz KTZMPJMYICBJAQ-GFCCVEGCSA-N 1 0 357.863 2.797 20 5 FFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592554177 520454410 /nfs/dbraw/zinc/45/44/10/520454410.db2.gz GKTLVVIVYTXKLW-GJZGRUSLSA-N 1 0 361.442 2.845 20 5 FFBDRO O=[N+]([O-])c1ccc(CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)c(Cl)c1 ZINC000600772292 520459306 /nfs/dbraw/zinc/45/93/06/520459306.db2.gz IIPSWLFCJQKNDR-INIZCTEOSA-N 1 0 353.850 2.839 20 5 FFBDRO O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000604193578 520478466 /nfs/dbraw/zinc/47/84/66/520478466.db2.gz ZPLRVPYLAGKREG-UHFFFAOYSA-N 1 0 370.409 2.976 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C[C@H]1C ZINC000610125935 520550965 /nfs/dbraw/zinc/55/09/65/520550965.db2.gz ZCPQSERXIKGIHJ-ZBFHGGJFSA-N 1 0 358.442 2.881 20 5 FFBDRO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000610129636 520552777 /nfs/dbraw/zinc/55/27/77/520552777.db2.gz VOVCXNLGXULQHT-VXGBXAGGSA-N 1 0 351.378 2.949 20 5 FFBDRO COc1cccc(C(=O)NC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000592882022 520633169 /nfs/dbraw/zinc/63/31/69/520633169.db2.gz QGUMCFYOXYKHEV-WBVHZDCISA-N 1 0 369.421 2.679 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)c1 ZINC000592883121 520633561 /nfs/dbraw/zinc/63/35/61/520633561.db2.gz XEFRWVUZWKKDHR-AEFFLSMTSA-N 1 0 353.422 2.978 20 5 FFBDRO C[C@@H](NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000610422076 520675381 /nfs/dbraw/zinc/67/53/81/520675381.db2.gz UQBGJHKCKVKUQR-UZLBHIALSA-N 1 0 355.438 2.882 20 5 FFBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)C3(c4ccc([N+](=O)[O-])cc4)CCC3)CC[C@H]21 ZINC000601334224 520745067 /nfs/dbraw/zinc/74/50/67/520745067.db2.gz ZGEFKMFZJJSQQB-MAUKXSAKSA-N 1 0 357.454 2.959 20 5 FFBDRO O=C(CC[NH+]1CC(c2nc3ccccc3[nH]2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000610701279 520803705 /nfs/dbraw/zinc/80/37/05/520803705.db2.gz FQTZFHJCAZUJJK-UHFFFAOYSA-N 1 0 365.393 2.899 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2noc(CN3CCC([C@H]4CCC[NH2+]C4)CC3)n2)cc1 ZINC000595900809 520808156 /nfs/dbraw/zinc/80/81/56/520808156.db2.gz MCZVVODISJJPDO-INIZCTEOSA-N 1 0 371.441 2.856 20 5 FFBDRO Cc1ccc(C(=O)N2CC[C@@H](OCC[NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000610733160 520820041 /nfs/dbraw/zinc/82/00/41/520820041.db2.gz WUMVHNAXBQNVPO-QGZVFWFLSA-N 1 0 361.442 2.620 20 5 FFBDRO CC(C)C[C@H](C[NH3+])CC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000595928937 520830385 /nfs/dbraw/zinc/83/03/85/520830385.db2.gz UGMIMSDMKBISHQ-HNNXBMFYSA-N 1 0 363.458 2.976 20 5 FFBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000601549659 520835076 /nfs/dbraw/zinc/83/50/76/520835076.db2.gz AEYDQPWTRXEGGO-DGCLKSJQSA-N 1 0 369.874 2.941 20 5 FFBDRO CC(C)[C@H]([NH3+])CCNC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000595952018 520836439 /nfs/dbraw/zinc/83/64/39/520836439.db2.gz VVPUZJIYPWJOJB-GDBMZVCRSA-N 1 0 362.474 2.934 20 5 FFBDRO O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1)c1ccc([N+](=O)[O-])cc1F ZINC000595966732 520841642 /nfs/dbraw/zinc/84/16/42/520841642.db2.gz NMAYUDPHLVWPBE-RHSMWYFYSA-N 1 0 361.348 2.749 20 5 FFBDRO COc1cccc([C@H](CNc2cc[nH]c(=O)c2[N+](=O)[O-])[NH+]2CCCC2)c1 ZINC000596059438 520887404 /nfs/dbraw/zinc/88/74/04/520887404.db2.gz HYHCAABPSSAMTF-INIZCTEOSA-N 1 0 358.398 2.953 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC3(CCCC3)OC[C@H]2C[NH+](C)C)c1 ZINC000598892799 520906866 /nfs/dbraw/zinc/90/68/66/520906866.db2.gz KUMOGWPBBCLHAJ-OAHLLOKOSA-N 1 0 361.442 2.619 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ccc(CN3CCOC4(C[NH2+]C4)C3)o2)c(Cl)c1 ZINC000596103165 520914422 /nfs/dbraw/zinc/91/44/22/520914422.db2.gz BMELPTBRSQIYMR-UHFFFAOYSA-N 1 0 363.801 2.682 20 5 FFBDRO O=C([C@H]1CCC[N@@H+]1C1CCCC1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000610986870 520932166 /nfs/dbraw/zinc/93/21/66/520932166.db2.gz AYTHWFBSENGGAI-LJQANCHMSA-N 1 0 372.469 2.650 20 5 FFBDRO CC[NH+](CC)[C@H]1CCN(c2ccc([N+](=O)[O-])c(C(=O)OC)c2Cl)C1 ZINC000596141616 520936375 /nfs/dbraw/zinc/93/63/75/520936375.db2.gz HXNGICFSAPMLKO-NSHDSACASA-N 1 0 355.822 2.955 20 5 FFBDRO C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596176212 520953708 /nfs/dbraw/zinc/95/37/08/520953708.db2.gz BBYSXHJNSPSKBM-GJZGRUSLSA-N 1 0 368.437 2.793 20 5 FFBDRO CN(c1ccccc1)c1ccc(C[NH2+]C[C@H]2COCCN2C)cc1[N+](=O)[O-] ZINC000599002839 520972795 /nfs/dbraw/zinc/97/27/95/520972795.db2.gz CFFAZSSVBDKDBS-SFHVURJKSA-N 1 0 370.453 2.783 20 5 FFBDRO CC[NH+](CC)CC[C@@H](CO)Nc1c(Br)cccc1[N+](=O)[O-] ZINC000596218785 520977682 /nfs/dbraw/zinc/97/76/82/520977682.db2.gz IWPMZVJPNIFOQK-NSHDSACASA-N 1 0 360.252 2.862 20 5 FFBDRO CC(C)(C)CC[NH+]1CCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000593414269 520978547 /nfs/dbraw/zinc/97/85/47/520978547.db2.gz ALKYUXRMSBZICH-UHFFFAOYSA-N 1 0 351.422 2.857 20 5 FFBDRO Cc1cccc(C[N@@H+]2CC[C@@H](NC(=O)c3cc([N+](=O)[O-])cnc3C)C2)c1 ZINC000601848555 520985061 /nfs/dbraw/zinc/98/50/61/520985061.db2.gz AAUUMQUFJYENOT-MRXNPFEDSA-N 1 0 354.410 2.611 20 5 FFBDRO O=C(CNc1ccnc2cc([N+](=O)[O-])ccc21)NCC[NH+]1CCCCCC1 ZINC000593471846 521016288 /nfs/dbraw/zinc/01/62/88/521016288.db2.gz BSLKWINXQQBRMY-UHFFFAOYSA-N 1 0 371.441 2.547 20 5 FFBDRO Cn1ccnc1C(=O)c1ccc(NC[C@H]2CC[N@@H+]2C(C)(C)C)c([N+](=O)[O-])c1 ZINC000596306592 521019007 /nfs/dbraw/zinc/01/90/07/521019007.db2.gz GZAOWZINLUMKFM-CQSZACIVSA-N 1 0 371.441 2.844 20 5 FFBDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1c(Br)cccc1[N+](=O)[O-] ZINC000599080990 521021208 /nfs/dbraw/zinc/02/12/08/521021208.db2.gz RNZFMPSWJROURB-NEPJUHHUSA-N 1 0 368.231 2.714 20 5 FFBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@@H]2c2nc(C)no2)cc1[N+](=O)[O-] ZINC000599093786 521030112 /nfs/dbraw/zinc/03/01/12/521030112.db2.gz VUJSXZWHUTZLRM-WNMQOVRZSA-N 1 0 362.386 2.866 20 5 FFBDRO Cc1cc(N2CCO[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]32)ncc1[N+](=O)[O-] ZINC000593496675 521033873 /nfs/dbraw/zinc/03/38/73/521033873.db2.gz VRLFQICXLHGHHM-OALUTQOASA-N 1 0 368.437 2.778 20 5 FFBDRO CC(C)(C)Oc1cc(N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)ccc1[N+](=O)[O-] ZINC000611203187 521034895 /nfs/dbraw/zinc/03/48/95/521034895.db2.gz ORXLOHGVHZEFHW-NVXWUHKLSA-N 1 0 363.458 2.808 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(Cc2noc([C@H]3CCn4cc(C)nc4C3)n2)c1 ZINC000599154487 521058292 /nfs/dbraw/zinc/05/82/92/521058292.db2.gz ZYUKHGLGLANKDK-LBPRGKRZSA-N 1 0 369.381 2.812 20 5 FFBDRO C[N@@H+]1CCCC[C@@H](CNC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000599157263 521061112 /nfs/dbraw/zinc/06/11/12/521061112.db2.gz QJYONIFZHSGRDC-AWEZNQCLSA-N 1 0 373.457 2.650 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC[N@H+](C[C@H]3CCCO3)CC2)c2ncccc12 ZINC000611296543 521085766 /nfs/dbraw/zinc/08/57/66/521085766.db2.gz UJHGSGIJEATIRY-OAHLLOKOSA-N 1 0 356.426 2.834 20 5 FFBDRO CCOc1cc(N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)ccc1[N+](=O)[O-] ZINC000611297288 521086306 /nfs/dbraw/zinc/08/63/06/521086306.db2.gz COTMBPVAEHNJOH-KRWDZBQOSA-N 1 0 362.474 2.598 20 5 FFBDRO O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)Nc1ccc([N+](=O)[O-])cc1F ZINC000596498856 521100557 /nfs/dbraw/zinc/10/05/57/521100557.db2.gz IQNKEGSTJLWMDF-ZDUSSCGKSA-N 1 0 350.394 2.977 20 5 FFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)[C@@H]1CN(C)CCO1 ZINC000611336969 521105074 /nfs/dbraw/zinc/10/50/74/521105074.db2.gz WPEOVZXFUKCYGZ-LZWOXQAQSA-N 1 0 353.488 2.774 20 5 FFBDRO CCOC(=O)c1ccnc(NC[C@@H]2CC[N@@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000596559588 521132178 /nfs/dbraw/zinc/13/21/78/521132178.db2.gz ZMVCUNROLAUCJV-HNNXBMFYSA-N 1 0 370.409 2.853 20 5 FFBDRO COC[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1cccc(C(F)(F)F)c1 ZINC000611397023 521136358 /nfs/dbraw/zinc/13/63/58/521136358.db2.gz VISPZFLLIOWPMH-CYBMUJFWSA-N 1 0 358.320 2.787 20 5 FFBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@H]2CCS(=O)(=O)c3ccc(F)cc32)c1 ZINC000611409817 521141504 /nfs/dbraw/zinc/14/15/04/521141504.db2.gz LIOTVLQKGXJHHA-INIZCTEOSA-N 1 0 364.398 2.785 20 5 FFBDRO CS[C@@H]1CN(c2ncnc3ccc([N+](=O)[O-])cc32)C[C@@H]1[NH+]1CCCC1 ZINC000614822104 521153169 /nfs/dbraw/zinc/15/31/69/521153169.db2.gz HZIQSUINELRJKL-JKSUJKDBSA-N 1 0 359.455 2.554 20 5 FFBDRO C[NH+](C)C[C@H](NC(=O)Cc1ccc(F)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000593708356 521168204 /nfs/dbraw/zinc/16/82/04/521168204.db2.gz NPQWRNWXQRQLQG-INIZCTEOSA-N 1 0 363.364 2.835 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@H]([NH+](C)C)C2(C)C)cc1SC ZINC000602168254 521182626 /nfs/dbraw/zinc/18/26/26/521182626.db2.gz BVCIMVNSBQUBPF-CABCVRRESA-N 1 0 367.471 2.784 20 5 FFBDRO CC1(C)CCC[C@](O)(C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000614992370 521223723 /nfs/dbraw/zinc/22/37/23/521223723.db2.gz FEYIFDXWZNJMLT-GOSISDBHSA-N 1 0 350.415 2.787 20 5 FFBDRO CC1(C)CC(NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC(C)(C)[NH2+]1 ZINC000596707949 521237664 /nfs/dbraw/zinc/23/76/64/521237664.db2.gz PMTAMBSJBMUVMG-UHFFFAOYSA-N 1 0 355.385 2.841 20 5 FFBDRO CCOc1cc(C[N@@H+]2CC3(CCOCC3)CC[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000599543149 521285875 /nfs/dbraw/zinc/28/58/75/521285875.db2.gz MOLFBRMFLFDWPN-MRXNPFEDSA-N 1 0 364.442 2.747 20 5 FFBDRO [NH3+]CC1(CCNC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000593914689 521288863 /nfs/dbraw/zinc/28/88/63/521288863.db2.gz NRFKQWSHBIBYEI-UHFFFAOYSA-N 1 0 374.363 2.661 20 5 FFBDRO C[C@H]1C[C@H](C)CN(c2ccc(C(=O)NCCC3(C[NH3+])CC3)cc2[N+](=O)[O-])C1 ZINC000593915043 521289067 /nfs/dbraw/zinc/28/90/67/521289067.db2.gz USHKUQIZHTYYCB-GJZGRUSLSA-N 1 0 374.485 2.936 20 5 FFBDRO C[N@H+](CCNc1ncnc2ccc([N+](=O)[O-])cc21)Cc1ccc(F)cc1 ZINC000611705805 521289180 /nfs/dbraw/zinc/28/91/80/521289180.db2.gz BPRCSHPDUROQAT-UHFFFAOYSA-N 1 0 355.373 2.643 20 5 FFBDRO CC1(C)CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC[N@@H+]1CCO ZINC000615140578 521289333 /nfs/dbraw/zinc/28/93/33/521289333.db2.gz ZUGZMUANLOCHKE-UHFFFAOYSA-N 1 0 359.426 2.743 20 5 FFBDRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000593919273 521292851 /nfs/dbraw/zinc/29/28/51/521292851.db2.gz PRIHYWHCOZCYPY-FVQBIDKESA-N 1 0 367.833 2.749 20 5 FFBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@H]3CC[C@@H](C2)S3)c([N+](=O)[O-])c1 ZINC000599552643 521292948 /nfs/dbraw/zinc/29/29/48/521292948.db2.gz HCIHXWOHSCXKRZ-KGLIPLIRSA-N 1 0 365.455 2.902 20 5 FFBDRO O=[N+]([O-])c1ccc2ncnc(NCC3CCN(c4cc[nH+]cc4)CC3)c2c1 ZINC000611713509 521293627 /nfs/dbraw/zinc/29/36/27/521293627.db2.gz CXEOMKIOKVKOME-UHFFFAOYSA-N 1 0 364.409 2.683 20 5 FFBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](C)[C@@H]2CC[NH3+])cc1OC ZINC000593934961 521300249 /nfs/dbraw/zinc/30/02/49/521300249.db2.gz UVVCHOFUSNYDRM-OCCSQVGLSA-N 1 0 365.430 2.592 20 5 FFBDRO O=[N+]([O-])c1ccc(CN2CCC[N@H+](C[C@@H]3CCCO3)CC2)c(Cl)c1 ZINC000611773136 521322923 /nfs/dbraw/zinc/32/29/23/521322923.db2.gz AYPPADNGKAYICO-INIZCTEOSA-N 1 0 353.850 2.935 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000599605461 521327309 /nfs/dbraw/zinc/32/73/09/521327309.db2.gz XBEVCXVCVOHHIH-MRXNPFEDSA-N 1 0 362.430 2.526 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCc2c(O)cccc2C1 ZINC000599644864 521354547 /nfs/dbraw/zinc/35/45/47/521354547.db2.gz AEBQVNGELCQKEI-UHFFFAOYSA-N 1 0 371.393 2.696 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H](CC(=O)OC(C)C)C(C)C ZINC000594042556 521368954 /nfs/dbraw/zinc/36/89/54/521368954.db2.gz VIXACTAKTSJJEL-CQSZACIVSA-N 1 0 365.430 2.798 20 5 FFBDRO O=C(Cc1cccc2c1CC[NH2+]C2)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000602499334 521382124 /nfs/dbraw/zinc/38/21/24/521382124.db2.gz JZFIMDPRXZEWRN-UHFFFAOYSA-N 1 0 365.433 2.974 20 5 FFBDRO CN(CCOCC[NH3+])C(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000602551579 521408265 /nfs/dbraw/zinc/40/82/65/521408265.db2.gz PRVIGMMRQIVXKR-UHFFFAOYSA-N 1 0 367.471 2.677 20 5 FFBDRO CSC[C@H](CCO)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602556657 521410249 /nfs/dbraw/zinc/41/02/49/521410249.db2.gz LDHYYXOPNBGJHW-ZETCQYMHSA-N 1 0 355.279 2.622 20 5 FFBDRO CC(C)[C@@H]1OCCC[C@H]1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602562856 521411697 /nfs/dbraw/zinc/41/16/97/521411697.db2.gz JSOJVCAPENWZED-KXBFYZLASA-N 1 0 362.474 2.999 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCC[C@@H]3CCCC[C@H]3O)CC2)cn1 ZINC000602578146 521420103 /nfs/dbraw/zinc/42/01/03/521420103.db2.gz VWXSTVXNQYQGIA-MAUKXSAKSA-N 1 0 362.474 2.880 20 5 FFBDRO C[NH+](C)CCn1c2cc(NCCc3ccc([N+](=O)[O-])cc3)ccc2oc1=O ZINC000602588552 521424699 /nfs/dbraw/zinc/42/46/99/521424699.db2.gz OCKHAZDERSXUHM-UHFFFAOYSA-N 1 0 370.409 2.719 20 5 FFBDRO O=C(NCc1cccc2c1CC[NH2+]C2)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000602589918 521427444 /nfs/dbraw/zinc/42/74/44/521427444.db2.gz ZTQQCUKFJSRVMC-UHFFFAOYSA-N 1 0 365.433 2.979 20 5 FFBDRO C[N@@H+]1CC[C@H]2CCN(Cc3cc(Br)c([N+](=O)[O-])s3)[C@@H]2C1 ZINC000602592401 521428813 /nfs/dbraw/zinc/42/88/13/521428813.db2.gz QWUKHRIZZNYFOB-JOYOIKCWSA-N 1 0 360.277 2.945 20 5 FFBDRO CC(C)[C@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccnn1C ZINC000602630293 521444777 /nfs/dbraw/zinc/44/47/77/521444777.db2.gz MOQJKEXCYQXDMZ-KRWDZBQOSA-N 1 0 372.473 2.722 20 5 FFBDRO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594198646 521464071 /nfs/dbraw/zinc/46/40/71/521464071.db2.gz UGOKFLHPTHOFOL-CVEARBPZSA-N 1 0 353.369 2.549 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3[C@H]4Cc5ccccc5[C@@H]34)CC2)cn1 ZINC000602661036 521466051 /nfs/dbraw/zinc/46/60/51/521466051.db2.gz BOMCWAKIFOUSMW-DFQSSKMNSA-N 1 0 350.422 2.887 20 5 FFBDRO C[NH+]1CC2(C1)CCN(C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000619251692 521472028 /nfs/dbraw/zinc/47/20/28/521472028.db2.gz MWCKTFXEMZFQAI-UHFFFAOYSA-N 1 0 355.847 2.504 20 5 FFBDRO CCCN1C[C@H](C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1=O ZINC000602700305 521486109 /nfs/dbraw/zinc/48/61/09/521486109.db2.gz UZANVOYAXNWDFL-NSHDSACASA-N 1 0 359.348 2.962 20 5 FFBDRO O=C1CC[C@@H]2C[N@H+](Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC[C@@H]2N1 ZINC000602711488 521491269 /nfs/dbraw/zinc/49/12/69/521491269.db2.gz ZUNYBYNPPIJPIX-MFKMUULPSA-N 1 0 357.332 2.714 20 5 FFBDRO CN(CCC[NH+]1CCCC1)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597092554 521497347 /nfs/dbraw/zinc/49/73/47/521497347.db2.gz NMKSGWSWORFBOF-UHFFFAOYSA-N 1 0 355.826 2.780 20 5 FFBDRO Nc1c(NC(=O)N2CC[NH+](C3CCC3)CC2)cc(Cl)cc1[N+](=O)[O-] ZINC000597094328 521499331 /nfs/dbraw/zinc/49/93/31/521499331.db2.gz DKZWKXXSAVTLRP-UHFFFAOYSA-N 1 0 353.810 2.532 20 5 FFBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)C1 ZINC000597105141 521509304 /nfs/dbraw/zinc/50/93/04/521509304.db2.gz WTDGIMUMZWRAOK-NSHDSACASA-N 1 0 369.853 2.930 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+](CCCO)Cc1cccc(Cl)c1 ZINC000602796422 521537655 /nfs/dbraw/zinc/53/76/55/521537655.db2.gz NQHVPIAEFKGJSG-UHFFFAOYSA-N 1 0 352.822 2.638 20 5 FFBDRO COc1c(C(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000619437728 521567590 /nfs/dbraw/zinc/56/75/90/521567590.db2.gz QEHVVZGZAGRSFO-MRXNPFEDSA-N 1 0 369.421 2.950 20 5 FFBDRO O=C1CC[C@@H]2C[N@H+](Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)CC[C@@H]2N1 ZINC000597207814 521575300 /nfs/dbraw/zinc/57/53/00/521575300.db2.gz VTRRKYDXDPBJHP-PBHICJAKSA-N 1 0 355.394 2.955 20 5 FFBDRO CC(C)[C@H](C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccnn1C ZINC000615943123 521583813 /nfs/dbraw/zinc/58/38/13/521583813.db2.gz BRBXHFQLSPBXEB-AWEZNQCLSA-N 1 0 360.414 2.629 20 5 FFBDRO CC[C@H]1C[N@H+](C)CCCN1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000619566919 521772991 /nfs/dbraw/zinc/77/29/91/521772991.db2.gz AFNYMYGTIBNPIP-KRWDZBQOSA-N 1 0 374.485 2.754 20 5 FFBDRO CCC[N@@H+]1CC[C@@H](NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000619895838 521930880 /nfs/dbraw/zinc/93/08/80/521930880.db2.gz NWOGCCRCMHEULR-MRXNPFEDSA-N 1 0 363.461 2.755 20 5 FFBDRO C[C@H](CN1CC[NH+](C)CC1)Nc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000485396630 561318388 /nfs/dbraw/zinc/31/83/88/561318388.db2.gz XMROFSWLRPXXMK-CQSZACIVSA-N 1 0 373.432 2.844 20 5 FFBDRO CC[NH+](CC)[C@H](CNc1ccc(-c2nn[nH]n2)c([N+](=O)[O-])c1)CC(C)C ZINC000821180341 607346343 /nfs/dbraw/zinc/34/63/43/607346343.db2.gz BRHMJAAKGARSBL-AWEZNQCLSA-N 1 0 361.450 2.943 20 5 FFBDRO COc1ccc(C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000826202528 607567188 /nfs/dbraw/zinc/56/71/88/607567188.db2.gz CNYNGOCKUJJAJV-UHFFFAOYSA-N 1 0 374.788 2.727 20 5 FFBDRO CC[C@H]([NH2+]CCOc1ccc(-c2nn[nH]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000825142946 608282805 /nfs/dbraw/zinc/28/28/05/608282805.db2.gz UJLHMKUEECLMLE-KRWDZBQOSA-N 1 0 368.397 2.895 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000826212527 608480691 /nfs/dbraw/zinc/48/06/91/608480691.db2.gz UAXNQYPKHRUSAA-LLVKDONJSA-N 1 0 354.370 2.634 20 5 FFBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)c1 ZINC000826499565 608527322 /nfs/dbraw/zinc/52/73/22/608527322.db2.gz NNAHRHDZMFWBPD-SFHVURJKSA-N 1 0 364.409 2.985 20 5 FFBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164625863 719087277 /nfs/dbraw/zinc/08/72/77/719087277.db2.gz HESZIOCQDDWPKB-MJGOQNOKSA-N 1 0 368.437 2.637 20 5 FFBDRO O=C(NCCC[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1Br ZINC000159060176 728900041 /nfs/dbraw/zinc/90/00/41/728900041.db2.gz AHUHUKNDBWYGPB-UHFFFAOYSA-N 1 0 356.220 2.573 20 5 FFBDRO Cn1cc([C@@]2(C[NH2+]Cc3ccc([N+](=O)[O-])c(Cl)c3)CCCO2)cn1 ZINC000898056388 735308414 /nfs/dbraw/zinc/30/84/14/735308414.db2.gz GEQIVQWNLIJBGG-INIZCTEOSA-N 1 0 350.806 2.777 20 5 FFBDRO O=[N+]([O-])c1cc(Br)cnc1N1CCC([NH2+]CC2CC2)CC1 ZINC000133682363 728727594 /nfs/dbraw/zinc/72/75/94/728727594.db2.gz YPGAYUSINCOLMB-UHFFFAOYSA-N 1 0 355.236 2.721 20 5 FFBDRO O=C(CN1CC[C@@H](C[NH+]2CCCC2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000150844320 728743571 /nfs/dbraw/zinc/74/35/71/728743571.db2.gz LXFSVZUHGUNFCI-ZDUSSCGKSA-N 1 0 366.849 2.604 20 5 FFBDRO Cc1cnc(CCN(C)Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)s1 ZINC000165189563 728971572 /nfs/dbraw/zinc/97/15/72/728971572.db2.gz DRZKUGKGSPYJCD-UHFFFAOYSA-N 1 0 358.427 2.750 20 5 FFBDRO O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000857223455 730386000 /nfs/dbraw/zinc/38/60/00/730386000.db2.gz LSTADTCHEVEYNA-AWEZNQCLSA-N 1 0 367.833 2.575 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH+]3CCOCC3)CC2)c(Br)c1 ZINC000858631195 730430413 /nfs/dbraw/zinc/43/04/13/730430413.db2.gz APKXFVXJWLRXFA-UHFFFAOYSA-N 1 0 370.247 2.658 20 5 FFBDRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000859668334 730462387 /nfs/dbraw/zinc/46/23/87/730462387.db2.gz XXLRZWQNAVBKOI-ZDUSSCGKSA-N 1 0 371.235 2.819 20 5 FFBDRO C[N@@H+]1CCCC[C@H]1CCC(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000859689109 730463040 /nfs/dbraw/zinc/46/30/40/730463040.db2.gz NAPSEDPDIQJLEA-LBPRGKRZSA-N 1 0 352.362 2.724 20 5 FFBDRO CO[C@H]1C[N@H+](C)[C@@](C)(COC(=O)c2cccc(SC)c2[N+](=O)[O-])C1 ZINC000861349813 730602815 /nfs/dbraw/zinc/60/28/15/730602815.db2.gz VUJIKWNTCMTFHF-BDJLRTHQSA-N 1 0 354.428 2.583 20 5 FFBDRO C[C@](O)(C1CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1)C(F)(F)F ZINC000767907000 737381467 /nfs/dbraw/zinc/38/14/67/737381467.db2.gz JSQUIOYVCIBMPI-CABCVRRESA-N 1 0 362.348 2.654 20 5 FFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1c(Br)cnn1C ZINC000866431877 731059716 /nfs/dbraw/zinc/05/97/16/731059716.db2.gz FGFBLTXYXGQCKC-SECBINFHSA-N 1 0 371.210 2.951 20 5 FFBDRO C[NH+]1CCC(n2cc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])cn2)CC1 ZINC000870533088 731524697 /nfs/dbraw/zinc/52/46/97/731524697.db2.gz JXIGFTGHTGSMLR-UHFFFAOYSA-N 1 0 363.805 2.964 20 5 FFBDRO C[NH+]1CCC(n2cc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cn2)CC1 ZINC000870532876 731524804 /nfs/dbraw/zinc/52/48/04/731524804.db2.gz FXPRMUTXHMFIGQ-UHFFFAOYSA-N 1 0 363.805 2.964 20 5 FFBDRO CCCS(=O)(=O)N1CCC([NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000872022857 731721312 /nfs/dbraw/zinc/72/13/12/731721312.db2.gz MASRTRKRFRCUBN-GFCCVEGCSA-N 1 0 373.450 2.589 20 5 FFBDRO [NH3+]C[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@@H]1C(F)(F)F ZINC000873226890 731893269 /nfs/dbraw/zinc/89/32/69/731893269.db2.gz DDOJIXRKWSBQKK-ONGXEEELSA-N 1 0 369.290 2.765 20 5 FFBDRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000874831653 732104935 /nfs/dbraw/zinc/10/49/35/732104935.db2.gz ADNZDQMANBLELV-NEPJUHHUSA-N 1 0 355.341 2.505 20 5 FFBDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000874831654 732105108 /nfs/dbraw/zinc/10/51/08/732105108.db2.gz ADNZDQMANBLELV-NWDGAFQWSA-N 1 0 355.341 2.505 20 5 FFBDRO [NH3+]C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC[C@@H]1C(F)(F)F ZINC000877015709 732312230 /nfs/dbraw/zinc/31/22/30/732312230.db2.gz AHYBHSIZMVQTPL-ZJUUUORDSA-N 1 0 365.739 2.848 20 5 FFBDRO [NH3+]C[C@H]1CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC[C@@H]1C(F)(F)F ZINC000877018236 732313140 /nfs/dbraw/zinc/31/31/40/732313140.db2.gz UCYCADUQRDWYAI-KWQFWETISA-N 1 0 365.739 2.848 20 5 FFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@H]3CCOC4(CCSCC4)C3)C2)c1 ZINC000877117376 732325093 /nfs/dbraw/zinc/32/50/93/732325093.db2.gz XFWCCUFYZLOQTQ-HSBZDZAISA-N 1 0 352.460 2.529 20 5 FFBDRO COC[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1cccc(Br)c1 ZINC000879662208 732745908 /nfs/dbraw/zinc/74/59/08/732745908.db2.gz UIGJYAANRANDPY-CYBMUJFWSA-N 1 0 369.219 2.531 20 5 FFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC000926945709 738671114 /nfs/dbraw/zinc/67/11/14/738671114.db2.gz LYRKQXZGRPHQDO-CTASWTNQSA-N 1 0 352.456 2.859 20 5 FFBDRO O=C(CC[NH2+][C@@H](CCO)c1cccs1)Nc1cc([N+](=O)[O-])ccc1F ZINC000782531607 738731589 /nfs/dbraw/zinc/73/15/89/738731589.db2.gz XNWDKPKEUJBXTF-ZDUSSCGKSA-N 1 0 367.402 2.837 20 5 FFBDRO CN(Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21)CC1([NH+](C)C)CCC1 ZINC000783548545 738814480 /nfs/dbraw/zinc/81/44/80/738814480.db2.gz MQBNDOWDQAUBNN-UHFFFAOYSA-N 1 0 351.838 2.972 20 5 FFBDRO C[C@]1(Br)C[C@@H]1C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000892078498 734512566 /nfs/dbraw/zinc/51/25/66/734512566.db2.gz NNZPRCFSJWHBIQ-GYSYKLTISA-N 1 0 355.236 2.650 20 5 FFBDRO C[C@@]1(NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)C[NH+]2CCC1CC2 ZINC000892798713 734605539 /nfs/dbraw/zinc/60/55/39/734605539.db2.gz IBSDNXFKOWPBDW-OAHLLOKOSA-N 1 0 368.231 2.571 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)ccc1CNCC1([NH+]2CCCC2)CCOCC1 ZINC000892928531 734624705 /nfs/dbraw/zinc/62/47/05/734624705.db2.gz HYHAORXSLHGUPJ-UHFFFAOYSA-N 1 0 353.850 2.983 20 5 FFBDRO O=C(CN1CC[C@@H]([NH+]2CCCCC2)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000730808016 734650598 /nfs/dbraw/zinc/65/05/98/734650598.db2.gz FJCIIAONGMHCCO-CQSZACIVSA-N 1 0 366.849 2.747 20 5 FFBDRO C[NH+](C)CCOC1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1 ZINC000732666802 734755874 /nfs/dbraw/zinc/75/58/74/734755874.db2.gz CHOLRIYRPUAIKX-UHFFFAOYSA-N 1 0 350.444 2.752 20 5 FFBDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000894048516 734793209 /nfs/dbraw/zinc/79/32/09/734793209.db2.gz ZGGTVGPRGYJEQO-LSDHHAIUSA-N 1 0 366.849 2.669 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]Cc2ccc(Br)cn2)cc1 ZINC000733798297 734849020 /nfs/dbraw/zinc/84/90/20/734849020.db2.gz OIOJUADPIAZGRP-CQSZACIVSA-N 1 0 352.188 2.576 20 5 FFBDRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000895267925 734984071 /nfs/dbraw/zinc/98/40/71/734984071.db2.gz JDFVLAYOTNVLAV-GFCCVEGCSA-N 1 0 360.801 2.994 20 5 FFBDRO C[C@H]1[C@@H](NC(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)CC[N@@H+]1C ZINC000928431792 738868568 /nfs/dbraw/zinc/86/85/68/738868568.db2.gz OJTVZHCEBCXKIQ-RCOVLWMOSA-N 1 0 350.177 2.863 20 5 FFBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH+]2CCC3(CC2)COCCO3)c1 ZINC000895694995 735041554 /nfs/dbraw/zinc/04/15/54/735041554.db2.gz PALBDOJZHXBKDJ-UHFFFAOYSA-N 1 0 358.341 2.578 20 5 FFBDRO CC[C@@H](C(=O)OCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[NH+](CC)CC ZINC000741032826 735111819 /nfs/dbraw/zinc/11/18/19/735111819.db2.gz NSFSRAYQBVTUAS-ZDUSSCGKSA-N 1 0 371.821 2.850 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CC[C@@H](C4OCCO4)C3)cs2)c1 ZINC000896386177 735150803 /nfs/dbraw/zinc/15/08/03/735150803.db2.gz LMSGWRACRXRFNW-CYBMUJFWSA-N 1 0 361.423 2.913 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000747375618 735560165 /nfs/dbraw/zinc/56/01/65/735560165.db2.gz PJXHEVDFBBQMMD-LYRGGWFBSA-N 1 0 367.833 2.572 20 5 FFBDRO O=C(NC1CC[NH+](CC2CC2)CC1)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000900273877 735622837 /nfs/dbraw/zinc/62/28/37/735622837.db2.gz FZQPSYNDYOXHMH-UHFFFAOYSA-N 1 0 355.797 2.992 20 5 FFBDRO COCCC[NH+]1CCC(NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)CC1 ZINC000900518400 735655996 /nfs/dbraw/zinc/65/59/96/735655996.db2.gz PLOOPIQQHKPGEB-UHFFFAOYSA-N 1 0 373.812 2.618 20 5 FFBDRO Cn1c(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)nc2cc(Cl)ccc21 ZINC000752077391 735954565 /nfs/dbraw/zinc/95/45/65/735954565.db2.gz KTAJRADGWCMIEH-INIZCTEOSA-N 1 0 360.801 2.958 20 5 FFBDRO C[NH+](C)CCN(Cc1cccs1)C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000752498141 735990995 /nfs/dbraw/zinc/99/09/95/735990995.db2.gz LTDURYQYOFNGNJ-UHFFFAOYSA-N 1 0 351.403 2.999 20 5 FFBDRO COc1cc([C@H](C)[NH2+][C@H](CO)[C@@H]2CCC[C@@H](OC)C2)cc([N+](=O)[O-])c1 ZINC000903201062 736054043 /nfs/dbraw/zinc/05/40/43/736054043.db2.gz WLHVUNHDMMCFJG-TVFIUFHYSA-N 1 0 352.431 2.820 20 5 FFBDRO O=[N+]([O-])c1ccc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)cc1Cl ZINC000903980615 736199122 /nfs/dbraw/zinc/19/91/22/736199122.db2.gz VVYUMELOWFOTAZ-IYBDPMFKSA-N 1 0 364.877 2.649 20 5 FFBDRO C[N@@H+]1CCC[C@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 ZINC000754968993 736219868 /nfs/dbraw/zinc/21/98/68/736219868.db2.gz UEAHEVSONSWNBQ-SECBINFHSA-N 1 0 374.210 2.568 20 5 FFBDRO CC[N@@H+]1CCN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000755032023 736228313 /nfs/dbraw/zinc/22/83/13/736228313.db2.gz VSWWZQHQZMGIBL-JTQLQIEISA-N 1 0 371.235 2.915 20 5 FFBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000756951476 736376405 /nfs/dbraw/zinc/37/64/05/736376405.db2.gz RTJQWQQVZRNXDQ-LBPRGKRZSA-N 1 0 354.838 2.778 20 5 FFBDRO C[NH+](C)CC1CCN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000757256141 736398983 /nfs/dbraw/zinc/39/89/83/736398983.db2.gz LLBHAWWSFVBZJJ-UHFFFAOYSA-N 1 0 354.838 2.731 20 5 FFBDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000757262489 736399323 /nfs/dbraw/zinc/39/93/23/736399323.db2.gz NALIJTLLSUDXRX-HNNXBMFYSA-N 1 0 354.838 2.730 20 5 FFBDRO CC(C)[N@@H+]1CCCN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000757261884 736399354 /nfs/dbraw/zinc/39/93/54/736399354.db2.gz LAPLKVMOCPVLFM-UHFFFAOYSA-N 1 0 354.838 2.874 20 5 FFBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000758299696 736473663 /nfs/dbraw/zinc/47/36/63/736473663.db2.gz VJVKQZAKEUHGTR-ZDUSSCGKSA-N 1 0 352.391 2.518 20 5 FFBDRO CN(C(=O)c1cccc([N+](=O)[O-])c1Br)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000758333758 736476657 /nfs/dbraw/zinc/47/66/57/736476657.db2.gz CACDDPIYEFCZAU-NSHDSACASA-N 1 0 368.231 2.666 20 5 FFBDRO C[N@@H+]1CCCC[C@H]1CCOC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000762968598 736888603 /nfs/dbraw/zinc/88/86/03/736888603.db2.gz OWWKDALYIVNLOP-NSHDSACASA-N 1 0 350.400 2.631 20 5 FFBDRO [NH3+]CCc1ccc(CNC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000911733757 737228223 /nfs/dbraw/zinc/22/82/23/737228223.db2.gz CLLHCESYSCZYNH-UHFFFAOYSA-N 1 0 361.829 2.998 20 5 FFBDRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC000913813841 737452376 /nfs/dbraw/zinc/45/23/76/737452376.db2.gz HUFFSBSOGDVGMF-CVEARBPZSA-N 1 0 351.834 2.876 20 5 FFBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000768812712 737461077 /nfs/dbraw/zinc/46/10/77/737461077.db2.gz LXKUSKDSEHSWNR-XQQFMLRXSA-N 1 0 373.500 2.682 20 5 FFBDRO CC[N@H+](C)C[C@@H]1CCN(Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 ZINC000774635467 738007653 /nfs/dbraw/zinc/00/76/53/738007653.db2.gz ITSXENFWCFKNBY-LBPRGKRZSA-N 1 0 351.838 2.829 20 5 FFBDRO C[C@H](CNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000778231246 738365081 /nfs/dbraw/zinc/36/50/81/738365081.db2.gz FKQDNZCHWLLUPM-CHWSQXEVSA-N 1 0 355.385 2.923 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C[C@H]1C ZINC000778287358 738369801 /nfs/dbraw/zinc/36/98/01/738369801.db2.gz IGQJZEXAKMGWCH-ZYHUDNBSSA-N 1 0 363.443 2.544 20 5 FFBDRO C[C@@]1([NH2+]CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCO[C@@H]1C1CC1 ZINC000784586961 738905727 /nfs/dbraw/zinc/90/57/27/738905727.db2.gz BSQBXMCJWVXGLZ-HZPDHXFCSA-N 1 0 353.806 2.734 20 5 FFBDRO CC(=O)NC[C@@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000929364766 738976421 /nfs/dbraw/zinc/97/64/21/738976421.db2.gz LRKDVVMMIXWROE-LBPRGKRZSA-N 1 0 370.247 2.705 20 5 FFBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000929630502 739006182 /nfs/dbraw/zinc/00/61/82/739006182.db2.gz BHTGITGZLBCPTH-BETUJISGSA-N 1 0 367.471 2.546 20 5 FFBDRO O=[N+]([O-])c1ccc(Br)c(CN2CCC(c3nnc[nH]3)CC2)c1 ZINC000929819941 739025246 /nfs/dbraw/zinc/02/52/46/739025246.db2.gz ZSYVFFDDJFJJNO-UHFFFAOYSA-N 1 0 366.219 2.855 20 5 FFBDRO COC[C@@H]([NH2+]Cc1c(Br)cccc1[N+](=O)[O-])C1CCOCC1 ZINC000930924663 739186444 /nfs/dbraw/zinc/18/64/44/739186444.db2.gz QMONGBFMZYHGFF-CQSZACIVSA-N 1 0 373.247 2.889 20 5 FFBDRO O=C(Nc1cccc([N+](=O)[O-])c1Cl)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000931296833 739239763 /nfs/dbraw/zinc/23/97/63/739239763.db2.gz ALAMZDJIFJOQFB-MFKMUULPSA-N 1 0 370.862 2.950 20 5 FFBDRO COC(=O)N1CCC[C@H]([C@H](C)[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000788752242 739279285 /nfs/dbraw/zinc/27/92/85/739279285.db2.gz DHIWNCRUDHDYQO-OBJOEFQTSA-N 1 0 350.419 2.695 20 5 FFBDRO CCOc1cc(NC(=O)NC[C@@H]2CCCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000931903935 739350029 /nfs/dbraw/zinc/35/00/29/739350029.db2.gz REIQOZLIHMMWOS-ZDUSSCGKSA-N 1 0 350.419 2.847 20 5 FFBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H]2CCOc3ccc(Br)cc32)c1 ZINC000932208942 739405787 /nfs/dbraw/zinc/40/57/87/739405787.db2.gz LHQJFHGMIIXSEM-CYBMUJFWSA-N 1 0 367.203 2.667 20 5 FFBDRO Nc1c(C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cc(Cl)c(F)c1[N+](=O)[O-] ZINC000932238047 739413168 /nfs/dbraw/zinc/41/31/68/739413168.db2.gz KWLYSEXSRURXAP-JTQLQIEISA-N 1 0 370.812 2.670 20 5 FFBDRO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000932302877 739426396 /nfs/dbraw/zinc/42/63/96/739426396.db2.gz WZIHWWLSEFSQFV-CYBMUJFWSA-N 1 0 351.834 2.781 20 5 FFBDRO CC[NH+](CC)[C@H]1CCN(c2c(Cl)cc([N+](=O)[O-])cc2C(=O)OC)C1 ZINC000790270458 739431376 /nfs/dbraw/zinc/43/13/76/739431376.db2.gz AYLWAUHRWFUUBQ-NSHDSACASA-N 1 0 355.822 2.955 20 5 FFBDRO C[C@H](CNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000790552601 739468815 /nfs/dbraw/zinc/46/88/15/739468815.db2.gz YLCSSNPNZMSJGA-LLVKDONJSA-N 1 0 357.813 2.778 20 5 FFBDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000790765575 739492781 /nfs/dbraw/zinc/49/27/81/739492781.db2.gz QBRVLMHFSCRVIJ-HNNXBMFYSA-N 1 0 357.813 2.728 20 5 FFBDRO CC[N@@H+]1C[C@H](C)N(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC000790912661 739512206 /nfs/dbraw/zinc/51/22/06/739512206.db2.gz XXEXAOOPHYJDFG-QWRGUYRKSA-N 1 0 357.813 2.871 20 5 FFBDRO CC[NH+](CC)CCN(CC(C)C)C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000791329880 739548645 /nfs/dbraw/zinc/54/86/45/739548645.db2.gz WJXJNODHMCKOBF-UHFFFAOYSA-N 1 0 354.426 2.756 20 5 FFBDRO C[C@H]1C[C@@H](N(C)C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)CC[N@@H+]1C ZINC000933440254 739626243 /nfs/dbraw/zinc/62/62/43/739626243.db2.gz CJVOLHRQAMPQPS-IUCAKERBSA-N 1 0 358.801 2.524 20 5 FFBDRO COC(=O)CC1([NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCCCC1 ZINC000792870689 739714489 /nfs/dbraw/zinc/71/44/89/739714489.db2.gz JGBQOLYGKDUIDZ-UHFFFAOYSA-N 1 0 351.359 2.859 20 5 FFBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCOC23CCOCC3)ccc1Br ZINC000934400830 739781786 /nfs/dbraw/zinc/78/17/86/739781786.db2.gz AHYUOUPXMADWRP-AWEZNQCLSA-N 1 0 371.231 2.785 20 5 FFBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC000934576250 739808547 /nfs/dbraw/zinc/80/85/47/739808547.db2.gz MDKZAALLJLVTHY-IAQYHMDHSA-N 1 0 351.834 2.780 20 5 FFBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000935656837 739989153 /nfs/dbraw/zinc/98/91/53/739989153.db2.gz LDGNYNBYBRDOBX-CYBMUJFWSA-N 1 0 367.471 2.547 20 5 FFBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC000935978260 740040650 /nfs/dbraw/zinc/04/06/50/740040650.db2.gz VTQSQKCEWLPJIY-SKDRFNHKSA-N 1 0 370.812 2.668 20 5 FFBDRO CN(C)C(=O)OC[C@H]1CCCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000796550687 740152975 /nfs/dbraw/zinc/15/29/75/740152975.db2.gz FHFZCTUHEWWDBF-OAHLLOKOSA-N 1 0 351.403 2.526 20 5 FFBDRO O=[N+]([O-])c1cc(S(=O)(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)cs1 ZINC000797844224 740279990 /nfs/dbraw/zinc/27/99/90/740279990.db2.gz AMJBVOILSJTNFM-CYBMUJFWSA-N 1 0 373.500 2.732 20 5 FFBDRO COC(=O)C[C@H]([NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1)C1CC1 ZINC000801539149 740628894 /nfs/dbraw/zinc/62/88/94/740628894.db2.gz CCAFDEGIQFWNCU-LBPRGKRZSA-N 1 0 357.204 2.789 20 5 FFBDRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3cc(Cl)ccc3[N+](=O)[O-])[C@@H]2C1 ZINC000808782691 741260451 /nfs/dbraw/zinc/26/04/51/741260451.db2.gz BGERXVXBOSZWJU-APHBMKBZSA-N 1 0 351.834 2.985 20 5 FFBDRO CN(Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000809741413 741338912 /nfs/dbraw/zinc/33/89/12/741338912.db2.gz OKNSKTODEVTERV-INIZCTEOSA-N 1 0 366.893 2.849 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1COC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000811449519 741523776 /nfs/dbraw/zinc/52/37/76/741523776.db2.gz REHKXVCABCRGAF-KRWDZBQOSA-N 1 0 354.378 2.859 20 5 FFBDRO COCCN(CC[NH+](C)C)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811506628 741531369 /nfs/dbraw/zinc/53/13/69/741531369.db2.gz BRRMYNBINJXJHV-UHFFFAOYSA-N 1 0 350.246 2.912 20 5 FFBDRO Cc1ccc(C[NH2+]CC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c(Cl)c1 ZINC000997773912 742024913 /nfs/dbraw/zinc/02/49/13/742024913.db2.gz YXDBGQGIDLBSEV-NVXWUHKLSA-N 1 0 365.861 2.642 20 5 FFBDRO O=C(C[N@H+]1CCC[C@H](CCO)CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000817298450 742120345 /nfs/dbraw/zinc/12/03/45/742120345.db2.gz LZCRIISHTNMNGO-LBPRGKRZSA-N 1 0 355.822 2.671 20 5 FFBDRO C[C@H](COc1ccc(F)cc1F)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000818975145 742319296 /nfs/dbraw/zinc/31/92/96/742319296.db2.gz VIOBZMFBAYXSEB-BDJLRTHQSA-N 1 0 352.337 2.964 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(Cl)cc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC000820629516 742529721 /nfs/dbraw/zinc/52/97/21/742529721.db2.gz MBLHPTQKAWCLHS-UHFFFAOYSA-N 1 0 357.813 2.936 20 5 FFBDRO O=[N+]([O-])c1c(Br)cccc1N1CC[NH+](C2CCOCC2)CC1 ZINC000820669971 742534139 /nfs/dbraw/zinc/53/41/39/742534139.db2.gz GEJJNGWLROIMPF-UHFFFAOYSA-N 1 0 370.247 2.658 20 5 FFBDRO C[NH+](C)CCC[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)CCO1 ZINC000820828250 742556441 /nfs/dbraw/zinc/55/64/41/742556441.db2.gz VOLJTOYTFSDFJU-CYBMUJFWSA-N 1 0 370.837 2.823 20 5 FFBDRO Cn1nccc1[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CCO1 ZINC000825045812 743201263 /nfs/dbraw/zinc/20/12/63/743201263.db2.gz LUPONOVVJDOVTI-MLGOLLRUSA-N 1 0 350.806 2.992 20 5 FFBDRO CC1(C)CCC(C[NH+]2CCC(C)(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1 ZINC001045437408 743275159 /nfs/dbraw/zinc/27/51/59/743275159.db2.gz PIAMJSFLUZJUGA-HZPDHXFCSA-N 1 0 351.491 2.839 20 5 FFBDRO Cc1cc(Cl)c(C(=O)Nc2cnn(CC[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000825630724 743303449 /nfs/dbraw/zinc/30/34/49/743303449.db2.gz PSRQGNOAXCHOQC-UHFFFAOYSA-N 1 0 351.794 2.567 20 5 FFBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(C(F)(F)F)ccc3[N+](=O)[O-])CC[C@@H]21 ZINC000827247191 743541714 /nfs/dbraw/zinc/54/17/14/743541714.db2.gz VKLGSWYNABMJFB-MFKMUULPSA-N 1 0 357.332 2.780 20 5 FFBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)CC[C@H]21 ZINC000827254391 743542150 /nfs/dbraw/zinc/54/21/50/743542150.db2.gz PCVXXYFWNPEZTG-QMTHXVAHSA-N 1 0 357.332 2.780 20 5 FFBDRO C[N@@H+]1CC[C@H]2CN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000827300394 743551487 /nfs/dbraw/zinc/55/14/87/743551487.db2.gz MQXLNXZWLBHPBT-HZMBPMFUSA-N 1 0 368.231 2.524 20 5 FFBDRO CC[C@H](C)[NH+]1CCN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000832188342 745653546 /nfs/dbraw/zinc/65/35/46/745653546.db2.gz XUUFNOZRCNHCSH-LBPRGKRZSA-N 1 0 354.838 2.603 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(C(=O)NC[C@@]2([NH+](C)C)CCSC2)cc1Cl ZINC000836738230 746294769 /nfs/dbraw/zinc/29/47/69/746294769.db2.gz JFDZOAVFZVZMRE-HNNXBMFYSA-N 1 0 357.863 2.724 20 5 FFBDRO CC[C@@H]1CN(C)CCN1C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000839392881 746821405 /nfs/dbraw/zinc/82/14/05/746821405.db2.gz RQGACCBKJPLJBN-SNVBAGLBSA-N 1 0 356.220 2.524 20 5 FFBDRO COCC[C@@]1([NH2+]Cc2cccc([N+](=O)[O-])c2Br)CCOC1 ZINC000839582330 746862057 /nfs/dbraw/zinc/86/20/57/746862057.db2.gz DSWARPWHVIGVST-CQSZACIVSA-N 1 0 359.220 2.643 20 5 FFBDRO CO[C@@](C)([C@@H](C)[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C1CC1 ZINC000839641064 746879403 /nfs/dbraw/zinc/87/94/03/746879403.db2.gz TXZFKFSGTGXKKA-DIFFPNOSSA-N 1 0 353.394 2.856 20 5 FFBDRO C[C@H](CNC(=O)N[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F)[NH+](C)C ZINC000841749640 747448416 /nfs/dbraw/zinc/44/84/16/747448416.db2.gz POVWTLNTMHBTDZ-PELKAZGASA-N 1 0 366.315 2.587 20 5 FFBDRO C[NH2+]C(C)(C)CNC(=O)N[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC000841754870 747450531 /nfs/dbraw/zinc/45/05/31/747450531.db2.gz NBCFTMFDSGQQOK-NSHDSACASA-N 1 0 366.315 2.635 20 5 FFBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000842475139 747613201 /nfs/dbraw/zinc/61/32/01/747613201.db2.gz LDHZLRITRFZBEF-SJCJKPOMSA-N 1 0 366.849 2.651 20 5 FFBDRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000842509166 747623201 /nfs/dbraw/zinc/62/32/01/747623201.db2.gz HECPKLAKAYYRPG-CVEARBPZSA-N 1 0 367.833 2.607 20 5 FFBDRO [NH3+][C@H]1CCO[C@@H](C2CCN(C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)CC2)C1 ZINC000842510141 747623332 /nfs/dbraw/zinc/62/33/32/747623332.db2.gz PJFLFBGQAARXEB-XJKSGUPXSA-N 1 0 367.833 2.607 20 5 FFBDRO CC[C@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)C(=O)NCc1cccs1 ZINC000842909081 747718220 /nfs/dbraw/zinc/71/82/20/747718220.db2.gz QFYNHAHIVIBBFJ-NHYWBVRUSA-N 1 0 362.455 2.984 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@H](O)c2c(F)cccc2Cl)c1 ZINC000843084474 747764696 /nfs/dbraw/zinc/76/46/96/747764696.db2.gz BBTQEGOGPWBQBS-CABCVRRESA-N 1 0 354.765 2.744 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@H](O)c2cc(F)cc(Cl)c2)cc1 ZINC000843111730 747773795 /nfs/dbraw/zinc/77/37/95/747773795.db2.gz NSRMCROXXSTGGH-HOTGVXAUSA-N 1 0 354.765 2.744 20 5 FFBDRO CC(C)[C@H]([NH3+])CCN(C)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000843354609 747815675 /nfs/dbraw/zinc/81/56/75/747815675.db2.gz LRHARLGTCZZHLT-BXUZGUMPSA-N 1 0 356.854 2.880 20 5 FFBDRO O=C(CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000843388212 747822165 /nfs/dbraw/zinc/82/21/65/747822165.db2.gz LPLSFYWREVXEDF-CHWSQXEVSA-N 1 0 366.849 2.508 20 5 FFBDRO C[C@@H]1[C@H](C)N(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])[C@@H](C)C[N@@H+]1C ZINC000844643993 748063700 /nfs/dbraw/zinc/06/37/00/748063700.db2.gz ZLSKAPZEYYTXNB-AXFHLTTASA-N 1 0 357.813 2.869 20 5 FFBDRO COc1cc(C(=O)OC[C@@H](C)[NH+]2CCCCC2)c([N+](=O)[O-])cc1OC ZINC000847958394 748817147 /nfs/dbraw/zinc/81/71/47/748817147.db2.gz JHOSPXVOWHPPST-GFCCVEGCSA-N 1 0 352.387 2.643 20 5 FFBDRO O=[N+]([O-])c1cc(CN2CCC[C@H]([NH+]3CCOCC3)CC2)ccc1Cl ZINC000848930042 749037714 /nfs/dbraw/zinc/03/77/14/749037714.db2.gz MUVZDUJIIMPMEE-HNNXBMFYSA-N 1 0 353.850 2.935 20 5 FFBDRO CO[C@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000850359323 749351939 /nfs/dbraw/zinc/35/19/39/749351939.db2.gz DNFIBYSTCSHATG-UXHICEINSA-N 1 0 355.459 2.895 20 5 FFBDRO CCOC(=O)N1CCC([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000850425872 749363624 /nfs/dbraw/zinc/36/36/24/749363624.db2.gz UZELKWVBANSMNG-LBPRGKRZSA-N 1 0 351.403 2.875 20 5 FFBDRO COC(=O)N1CCC(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000850469086 749369146 /nfs/dbraw/zinc/36/91/46/749369146.db2.gz KUEOQHPPHGDPKM-GFCCVEGCSA-N 1 0 351.403 2.732 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CC[S@](=O)CC(F)(F)F)CCC2 ZINC000850497554 749376099 /nfs/dbraw/zinc/37/60/99/749376099.db2.gz VIBHSLIYJMMYMC-NPMABZOXSA-N 1 0 350.362 2.873 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)c1F ZINC000854427601 750306148 /nfs/dbraw/zinc/30/61/48/750306148.db2.gz ROBHRBXRJVFIBA-RYUDHWBXSA-N 1 0 353.369 2.880 20 5 FFBDRO CCOC(=O)N[C@H]1CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000055903512 845341720 /nfs/dbraw/zinc/34/17/20/845341720.db2.gz VYDYTBPOFDBYRX-AWEZNQCLSA-N 1 0 351.403 2.574 20 5 FFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@@H](Cn3ccnc3)c3ccccc3)C2)c1 ZINC000895705469 970863821 /nfs/dbraw/zinc/86/38/21/970863821.db2.gz BUBOIRQLLCMYIM-HTWSVDAQSA-N 1 0 352.398 2.722 20 5 FFBDRO Cn1cc([N+](=O)[O-])c(C(=O)OCc2cccc(C[NH+]3CCCCC3)c2)n1 ZINC000840405264 971244237 /nfs/dbraw/zinc/24/42/37/971244237.db2.gz MBWBSKLKHAYOGJ-UHFFFAOYSA-N 1 0 358.398 2.671 20 5 FFBDRO COc1c(O)ccc(C[N@@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC000893317717 971570632 /nfs/dbraw/zinc/57/06/32/971570632.db2.gz OJZNSSZFQMQTAM-SFHVURJKSA-N 1 0 362.357 2.542 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H](CO)c2cccc(C(F)(F)F)c2)c1 ZINC000872217095 1013182038 /nfs/dbraw/zinc/18/20/38/1013182038.db2.gz MZJYCYXBIJDIMO-JKSUJKDBSA-N 1 0 370.327 2.970 20 5 FFBDRO O=C(Cc1cccc(F)c1[N+](=O)[O-])N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000866846361 958885649 /nfs/dbraw/zinc/88/56/49/958885649.db2.gz CSLFNZWWYZZHSD-WMLDXEAASA-N 1 0 361.417 2.752 20 5 FFBDRO O=C(CCN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000134911807 960120093 /nfs/dbraw/zinc/12/00/93/960120093.db2.gz HWCVXQRWTPCDGW-DNVCBOLYSA-N 1 0 372.469 2.872 20 5 FFBDRO Cc1c(NC(=O)CC[N@H+]2CCN(C)c3ncccc3C2)cccc1[N+](=O)[O-] ZINC000872318086 1013210075 /nfs/dbraw/zinc/21/00/75/1013210075.db2.gz LTQDBABLOBZBGZ-UHFFFAOYSA-N 1 0 369.425 2.579 20 5 FFBDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)C1 ZINC001137058891 1013211398 /nfs/dbraw/zinc/21/13/98/1013211398.db2.gz ZEUNELHCEMEVHL-IUCAKERBSA-N 1 0 358.801 2.572 20 5 FFBDRO Cc1nn(C[N@@H+]2CCCCCCNC(=O)CC2)c2cc([N+](=O)[O-])ccc12 ZINC000872667547 1013244762 /nfs/dbraw/zinc/24/47/62/1013244762.db2.gz JQFZPOBLQJTHHC-UHFFFAOYSA-N 1 0 359.430 2.593 20 5 FFBDRO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1Cc1ccc(F)cc1[N+](=O)[O-] ZINC001174641192 1013263900 /nfs/dbraw/zinc/26/39/00/1013263900.db2.gz FFVZASYUMBNNFI-MRXNPFEDSA-N 1 0 351.422 2.809 20 5 FFBDRO Cc1c(C[NH2+]C2CCN(CC(=O)OC(C)(C)C)CC2)cccc1[N+](=O)[O-] ZINC000873149489 1013403547 /nfs/dbraw/zinc/40/35/47/1013403547.db2.gz PMHMZQCLVMPXIB-UHFFFAOYSA-N 1 0 363.458 2.799 20 5 FFBDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C1 ZINC000124428619 1013413672 /nfs/dbraw/zinc/41/36/72/1013413672.db2.gz RSTJVXCWRLOEDJ-OAHLLOKOSA-N 1 0 362.474 2.759 20 5 FFBDRO Cn1ccnc1[C@@H](NC[C@@H]1CCC(C)(C)C[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000873234189 1013436338 /nfs/dbraw/zinc/43/63/38/1013436338.db2.gz CMLGZYTZAKOPSZ-RDJZCZTQSA-N 1 0 357.458 2.786 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCN(C)C[C@H]1CC(C)C ZINC000933250135 963753961 /nfs/dbraw/zinc/75/39/61/963753961.db2.gz VIVMYIGZPMKKGE-QGZVFWFLSA-N 1 0 362.474 2.894 20 5 FFBDRO Cc1cccc(C)c1N(C[C@@H](C)[NH+](C)C)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000891570097 964503325 /nfs/dbraw/zinc/50/33/25/964503325.db2.gz SLWIUHMDIYFPBO-CQSZACIVSA-N 1 0 359.430 2.542 20 5 FFBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](C(CC)CC)[NH+](C)C ZINC001211530576 965566933 /nfs/dbraw/zinc/56/69/33/965566933.db2.gz GTZGTQPQTABMHQ-MRXNPFEDSA-N 1 0 371.503 2.802 20 5 FFBDRO Cc1c(NC(=O)[C@@H](C)[NH2+]CC2(C3(O)CCC3)CCC2)cccc1[N+](=O)[O-] ZINC001176051461 1013622339 /nfs/dbraw/zinc/62/23/39/1013622339.db2.gz DZOVXIUQKRTRCT-CQSZACIVSA-N 1 0 361.442 2.905 20 5 FFBDRO CN(CC(C)(C)C[NH+]1CCOCC1)c1ccc([N+](=O)[O-])c2cnccc21 ZINC000130214585 967364751 /nfs/dbraw/zinc/36/47/51/967364751.db2.gz UKVFFWDYMLNSGG-UHFFFAOYSA-N 1 0 358.442 2.938 20 5 FFBDRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000895264495 968858526 /nfs/dbraw/zinc/85/85/26/968858526.db2.gz BKEHQQVHSDHTMV-MDASCCDHSA-N 1 0 366.421 2.831 20 5 FFBDRO C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000895276562 968926079 /nfs/dbraw/zinc/92/60/79/968926079.db2.gz WWCSKNKDMTVLBU-NSHDSACASA-N 1 0 362.336 2.619 20 5 FFBDRO O=C1C[C@H](Oc2ccc([N+](=O)[O-])cc2)N1CN1CC[C@@H](CC(F)(F)F)C1 ZINC000840058497 969053712 /nfs/dbraw/zinc/05/37/12/969053712.db2.gz SSWISPDQHPPVEC-NHYWBVRUSA-N 1 0 373.331 2.764 20 5 FFBDRO C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C[N@@H+]1C1CC1 ZINC000177132653 969060643 /nfs/dbraw/zinc/06/06/43/969060643.db2.gz DIXHNCBAMZVSOI-HUUCEWRRSA-N 1 0 372.469 2.940 20 5 FFBDRO C[C@H]([NH2+]C1(CNc2c([N+](=O)[O-])cnn2C)CCOCC1)c1ccccc1 ZINC000892533785 969387597 /nfs/dbraw/zinc/38/75/97/969387597.db2.gz PWHILJUYTVBKII-AWEZNQCLSA-N 1 0 359.430 2.640 20 5 FFBDRO Cc1ccc(CNC(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1[N+](=O)[O-] ZINC000892536920 969402290 /nfs/dbraw/zinc/40/22/90/969402290.db2.gz MFKDZWBSFOVGPN-QGZVFWFLSA-N 1 0 360.458 2.824 20 5 FFBDRO [NH3+]Cc1nn(-c2nc3cc([N+](=O)[O-])ccc3nc2Cl)c2ccccc12 ZINC001167696377 969562154 /nfs/dbraw/zinc/56/21/54/969562154.db2.gz YSIOVNAKIDOIKR-UHFFFAOYSA-N 1 0 354.757 2.989 20 5 FFBDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000874828464 1013910258 /nfs/dbraw/zinc/91/02/58/1013910258.db2.gz GZEHSYMZCCZGIV-DLBZAZTESA-N 1 0 366.421 2.966 20 5 FFBDRO C[C@@H]1C[NH2+]CC[C@H]1Oc1ccc([N+](=O)[O-])cc1I ZINC001218421543 970102202 /nfs/dbraw/zinc/10/22/02/970102202.db2.gz XUVMGFHFVBFVJR-LDYMZIIASA-N 1 0 362.167 2.576 20 5 FFBDRO COc1c(O)ccc(C[NH2+]C[C@@H]2C[C@H](c3ccccc3)CO2)c1[N+](=O)[O-] ZINC000895378248 970520119 /nfs/dbraw/zinc/52/01/19/970520119.db2.gz PVKXGDCEJKEVOS-HOTGVXAUSA-N 1 0 358.394 2.971 20 5 FFBDRO C[NH+]1CCC2(CCN(C(=O)NCCc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000875430390 1014027324 /nfs/dbraw/zinc/02/73/24/1014027324.db2.gz JMAVQINMUSDJCB-UHFFFAOYSA-N 1 0 360.458 2.655 20 5 FFBDRO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000875674519 1014061106 /nfs/dbraw/zinc/06/11/06/1014061106.db2.gz ISTHQYMPWDIURG-UHFFFAOYSA-N 1 0 362.361 2.630 20 5 FFBDRO Cc1ccc(NCCCNC(=O)C[C@H](C)[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000237427805 973193892 /nfs/dbraw/zinc/19/38/92/973193892.db2.gz GRSSTWFPZXIBJV-JKSUJKDBSA-N 1 0 362.474 2.847 20 5 FFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000893447241 974071342 /nfs/dbraw/zinc/07/13/42/974071342.db2.gz FYLHIISURZIKIL-CQSZACIVSA-N 1 0 370.409 2.739 20 5 FFBDRO COc1cc(OCC(=O)Nc2ccc(C[NH+](C)C)cc2C)ccc1[N+](=O)[O-] ZINC000909612696 974316701 /nfs/dbraw/zinc/31/67/01/974316701.db2.gz OWHQDBQDXGOJQU-UHFFFAOYSA-N 1 0 373.409 2.991 20 5 FFBDRO C[C@H](OC(=O)[C@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1)c1ccccc1[N+](=O)[O-] ZINC000876466366 1014277913 /nfs/dbraw/zinc/27/79/13/1014277913.db2.gz BCITYVLUSRUNCJ-RRQGHBQHSA-N 1 0 372.425 2.668 20 5 FFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CCC[N@H+](CC1CCC3(CC3)CC1)C2 ZINC000981763855 976763776 /nfs/dbraw/zinc/76/37/76/976763776.db2.gz LYPNGLZCVIIDMH-IAGOWNOFSA-N 1 0 361.486 2.546 20 5 FFBDRO O=[N+]([O-])c1cnc2ccc(F)cc2c1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000893700170 977301299 /nfs/dbraw/zinc/30/12/99/977301299.db2.gz USVUTKFRWHFYFJ-AWEZNQCLSA-N 1 0 374.416 2.831 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCC[C@H]([C@@H](O)c2nccn2C)C1 ZINC000876809104 1014402265 /nfs/dbraw/zinc/40/22/65/1014402265.db2.gz CQMKDISFWGMRKT-MAUKXSAKSA-N 1 0 358.442 2.891 20 5 FFBDRO N=C(Nc1cc([N+](=O)[O-])cc2cc(Br)cnc21)SCC[NH3+] ZINC001167912106 977655635 /nfs/dbraw/zinc/65/56/35/977655635.db2.gz KRKACVFYYPYNLF-UHFFFAOYSA-N 1 0 370.232 2.944 20 5 FFBDRO C[C@H](CCNC(=O)c1ccc(N)c([N+](=O)[O-])c1)[N@H+](C)Cc1ccccc1 ZINC000174411348 977752199 /nfs/dbraw/zinc/75/21/99/977752199.db2.gz UPPFAQORXFNGKJ-CQSZACIVSA-N 1 0 356.426 2.817 20 5 FFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(CC[NH2+]CCCc2ccsc2)CC1 ZINC001481997907 977905819 /nfs/dbraw/zinc/90/58/19/977905819.db2.gz BPSCQYWTNXSDSF-IAGOWNOFSA-N 1 0 365.499 2.564 20 5 FFBDRO COc1ccc([C@H](OC)[C@H](C)[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000877133531 1014483766 /nfs/dbraw/zinc/48/37/66/1014483766.db2.gz JXYRSTRFGYOLOH-GJVKMHQDSA-N 1 0 360.414 2.869 20 5 FFBDRO CCN(CC)C(=O)c1ccc(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000877145331 1014489122 /nfs/dbraw/zinc/48/91/22/1014489122.db2.gz FUOCDBQOYQBNDC-UHFFFAOYSA-N 1 0 371.441 2.767 20 5 FFBDRO CC(C)(C)OC(=O)[C@H](CCCC[NH3+])Nc1nc(Cl)ccc1[N+](=O)[O-] ZINC001167944145 978445722 /nfs/dbraw/zinc/44/57/22/978445722.db2.gz ZCJARSIYZCMYSS-JTQLQIEISA-N 1 0 358.826 2.894 20 5 FFBDRO O=C1NCCCN1c1ccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000877639017 1014656452 /nfs/dbraw/zinc/65/64/52/1014656452.db2.gz AKPIQVMIQDLVOY-UHFFFAOYSA-N 1 0 354.410 2.847 20 5 FFBDRO Cn1nccc1[C@H]1CCCN1Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000905734663 980501765 /nfs/dbraw/zinc/50/17/65/980501765.db2.gz GVXOQCQDQIHAIP-GOSISDBHSA-N 1 0 352.398 2.986 20 5 FFBDRO O=C(NC[C@H]1CCC[NH2+]C1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000130168020 981193929 /nfs/dbraw/zinc/19/39/29/981193929.db2.gz MZTSQHCBPWMTAM-INIZCTEOSA-N 1 0 368.437 2.936 20 5 FFBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 ZINC000729682092 981283671 /nfs/dbraw/zinc/28/36/71/981283671.db2.gz KUIDBKABABRTLU-UHFFFAOYSA-N 1 0 359.338 2.607 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC1CCC2(CC1)CC[NH+](C)CC2 ZINC000908502711 981457890 /nfs/dbraw/zinc/45/78/90/981457890.db2.gz YJJQBISSYOKVEN-UHFFFAOYSA-N 1 0 361.442 2.988 20 5 FFBDRO CCC1([NH+]2CCC2)CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C)CC1 ZINC000908601487 981474458 /nfs/dbraw/zinc/47/44/58/981474458.db2.gz HGHAUAJDYOBSBX-UHFFFAOYSA-N 1 0 370.457 2.845 20 5 FFBDRO CC(C)(C)CC[NH+]1CCN(Cn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1 ZINC000127792824 981626731 /nfs/dbraw/zinc/62/67/31/981626731.db2.gz HZOBYSMQHXTCPN-UHFFFAOYSA-N 1 0 362.430 2.514 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(O)(c2cccc(C)c2C)CC1 ZINC000878135118 1014878025 /nfs/dbraw/zinc/87/80/25/1014878025.db2.gz MDZATWNAMGZGBE-UHFFFAOYSA-N 1 0 358.442 2.700 20 5 FFBDRO O=[N+]([O-])c1cnn(CN2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000164789871 984402110 /nfs/dbraw/zinc/40/21/10/984402110.db2.gz LDOUXNSCMXYNRX-HKUYNNGSSA-N 1 0 355.442 2.735 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@@H](O)COc3ccccc3)CC2)cc1 ZINC000764809910 984728601 /nfs/dbraw/zinc/72/86/01/984728601.db2.gz KFWOXWSFCGPVMO-LJQANCHMSA-N 1 0 371.437 2.593 20 5 FFBDRO Cc1nn(C[N@H+]2CCC[C@@H](CNC(=O)C(C)C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000764964111 984892124 /nfs/dbraw/zinc/89/21/24/984892124.db2.gz FHNFBWOENZMUQQ-HNNXBMFYSA-N 1 0 373.457 2.695 20 5 FFBDRO CC(C)c1ccc(C[NH2+]CC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1 ZINC000997773781 985737066 /nfs/dbraw/zinc/73/70/66/985737066.db2.gz YEVQHALKDAGXMD-RTBURBONSA-N 1 0 359.470 2.803 20 5 FFBDRO Cc1c([N+](=O)[O-])cc(C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000063586880 985955898 /nfs/dbraw/zinc/95/58/98/985955898.db2.gz RGAJVBNDUHAMDI-LBPRGKRZSA-N 1 0 364.402 2.662 20 5 FFBDRO C[NH+]1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3F)cc2)CC1 ZINC000055012199 986450401 /nfs/dbraw/zinc/45/04/01/986450401.db2.gz PSBFGSKGHAUWSY-UHFFFAOYSA-N 1 0 358.373 2.738 20 5 FFBDRO C[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(N2CCOC2=O)cc1 ZINC000765846250 986713450 /nfs/dbraw/zinc/71/34/50/986713450.db2.gz XGDJQNGQTVAJNW-UGSOOPFHSA-N 1 0 371.393 2.936 20 5 FFBDRO Cc1ccc(C[NH+]2CCC(C3(NC(=O)[C@@H]4C[C@H]4[N+](=O)[O-])CC3)CC2)cc1 ZINC001000155495 986724829 /nfs/dbraw/zinc/72/48/29/986724829.db2.gz RYSRSTPPVRQGHO-QZTJIDSGSA-N 1 0 357.454 2.521 20 5 FFBDRO Cc1ccc(N2CC[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)[C@H](C)C2)cc1C ZINC000761668491 987696500 /nfs/dbraw/zinc/69/65/00/987696500.db2.gz GATSUEVZTUZIAZ-QGZVFWFLSA-N 1 0 370.453 2.584 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCC(C)([NH+]3CCC3)CC2)c1 ZINC000922176637 988018731 /nfs/dbraw/zinc/01/87/31/988018731.db2.gz XOILLGLWVUQGIO-UHFFFAOYSA-N 1 0 361.442 2.759 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000922888599 989073958 /nfs/dbraw/zinc/07/39/58/989073958.db2.gz MTTIGQRDUBOFPD-UHFFFAOYSA-N 1 0 361.442 2.585 20 5 FFBDRO C[C@H](CNC(=O)c1cc(F)ccc1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000153934847 989772449 /nfs/dbraw/zinc/77/24/49/989772449.db2.gz YMULQTBONWRDKO-CYBMUJFWSA-N 1 0 357.385 2.911 20 5 FFBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000916404780 989786488 /nfs/dbraw/zinc/78/64/88/989786488.db2.gz ANWQIHXBOYPCTA-UHFFFAOYSA-N 1 0 372.425 2.854 20 5 FFBDRO CCNC(=O)COc1cccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)c1 ZINC000917137948 990153785 /nfs/dbraw/zinc/15/37/85/990153785.db2.gz FOZVGVKZWFTSDY-UHFFFAOYSA-N 1 0 357.410 2.708 20 5 FFBDRO [NH3+]C[C@H](NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)C1CC1 ZINC000237920233 991390186 /nfs/dbraw/zinc/39/01/86/991390186.db2.gz PMVMSDBYMMWKRW-KRWDZBQOSA-N 1 0 354.410 2.674 20 5 FFBDRO CN(CCC[N@H+](C)Cc1ccc(C(F)F)cc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001484742416 991742423 /nfs/dbraw/zinc/74/24/23/991742423.db2.gz XSGJHWNIZHXQKS-HUUCEWRRSA-N 1 0 355.385 2.570 20 5 FFBDRO O=C(C[NH2+]C1([C@H]2CCCCO2)CCC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000879733642 1015657696 /nfs/dbraw/zinc/65/76/96/1015657696.db2.gz BASZZQYUBAWYGT-QGZVFWFLSA-N 1 0 359.426 2.565 20 5 FFBDRO CC[N@H+](C/C=C\c1ccccc1)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001485031277 991821253 /nfs/dbraw/zinc/82/12/53/991821253.db2.gz KMTJLRLIEMSIAS-ZNIXBBRXSA-N 1 0 371.481 2.926 20 5 FFBDRO Cc1cncc([C@H]2CCC[N@@H+]2C[C@@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000879750343 1015664215 /nfs/dbraw/zinc/66/42/15/1015664215.db2.gz TUJGKQFAKNHLFA-IAGOWNOFSA-N 1 0 357.410 2.875 20 5 FFBDRO Cc1c(NC(=O)[C@H](C)N2CCC(C)([NH+]3CCC3)CC2)cccc1[N+](=O)[O-] ZINC000880474527 1015845451 /nfs/dbraw/zinc/84/54/51/1015845451.db2.gz HYGQMNPMVWMIOB-HNNXBMFYSA-N 1 0 360.458 2.790 20 5 FFBDRO Cn1cc(C2C[C@H]3CC[C@@H](C2)[N@H+]3C[C@H](O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000880518589 1015862051 /nfs/dbraw/zinc/86/20/51/1015862051.db2.gz NVUSIRKTCAZHMO-SOXMVSPVSA-N 1 0 356.426 2.772 20 5 FFBDRO CC(C)[NH+]1CCC(CCNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC001131879308 994618231 /nfs/dbraw/zinc/61/82/31/994618231.db2.gz VFMOWKQOVXWCRG-UHFFFAOYSA-N 1 0 359.430 2.711 20 5 FFBDRO Cn1cc(C(=O)O[C@H]2CC[N@@H+]3CCC[C@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000810848502 994952993 /nfs/dbraw/zinc/95/29/93/994952993.db2.gz VSJLCJMOPDGURP-HOTGVXAUSA-N 1 0 370.409 2.779 20 5 FFBDRO CC(C)(NC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)[C@H]1CCCCO1 ZINC001132952183 995215418 /nfs/dbraw/zinc/21/54/18/995215418.db2.gz GMKSVHHENWENMV-MRXNPFEDSA-N 1 0 358.398 2.858 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CCOC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000805861084 996887611 /nfs/dbraw/zinc/88/76/11/996887611.db2.gz FUAQBDLSURVYKF-UHFFFAOYSA-N 1 0 358.398 2.553 20 5 FFBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)[N@@H+]1CCCC[C@@H]1C ZINC000825460551 997386821 /nfs/dbraw/zinc/38/68/21/997386821.db2.gz AHPAKNJVZGSREG-QWHCGFSZSA-N 1 0 366.437 2.793 20 5 FFBDRO C[N@@H+]1CC[C@H]2CN(C(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)CC[C@H]21 ZINC000827277680 1016124314 /nfs/dbraw/zinc/12/43/14/1016124314.db2.gz OFLVQJLQUYSQLA-MGPUTAFESA-N 1 0 361.445 2.848 20 5 FFBDRO Cc1cc(C(=O)NC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)c(N)c([N+](=O)[O-])c1 ZINC000844049341 997627827 /nfs/dbraw/zinc/62/78/27/997627827.db2.gz LBYKKOQUTUOBRZ-WBVHZDCISA-N 1 0 368.437 2.561 20 5 FFBDRO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1)c1ccco1 ZINC000731661483 998116924 /nfs/dbraw/zinc/11/69/24/998116924.db2.gz LWEIUUDHWUIIGH-INIZCTEOSA-N 1 0 358.398 2.795 20 5 FFBDRO CCCCCC[N@H+](C)CC(=O)Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000732286274 998598533 /nfs/dbraw/zinc/59/85/33/998598533.db2.gz PUTMSXYIGOEVNQ-UHFFFAOYSA-N 1 0 360.418 2.831 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000803855723 1016244162 /nfs/dbraw/zinc/24/41/62/1016244162.db2.gz KCOIRJAAAWLCOO-CQSZACIVSA-N 1 0 363.414 2.649 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2cnn(CN3CC[C@@H](C[NH+]4CCCC4)C3)c2)cc1 ZINC000739876501 999655168 /nfs/dbraw/zinc/65/51/68/999655168.db2.gz UBTAKLCTJGLMAL-INIZCTEOSA-N 1 0 355.442 2.834 20 5 FFBDRO CC(C)(C)OC(=O)N1C[C@H]([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC(F)(F)C1 ZINC001168971390 1000013416 /nfs/dbraw/zinc/01/34/16/1000013416.db2.gz KBWRPDRNOGBISQ-YNEHKIRRSA-N 1 0 363.405 2.666 20 5 FFBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CC2CCN(c3ncnc4ccccc43)CC2)C1 ZINC001168998334 1000014435 /nfs/dbraw/zinc/01/44/35/1000014435.db2.gz LICJKPVRLYHTGH-SJORKVTESA-N 1 0 369.469 2.881 20 5 FFBDRO CC(C)(C)OC(=O)N1CC[C@]12CCC[N@@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169011025 1000015337 /nfs/dbraw/zinc/01/53/37/1000015337.db2.gz HJVQLCGPXUFKPK-RKVPGOIHSA-N 1 0 353.463 2.907 20 5 FFBDRO CC(C)(C)OC(=O)Nc1ccc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)cn1 ZINC001168986974 1000015882 /nfs/dbraw/zinc/01/58/82/1000015882.db2.gz GSRSVZVUBMLKLE-GXTWGEPZSA-N 1 0 350.419 2.964 20 5 FFBDRO COc1ccc(CCN2CCC([NH2+][C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)cc1 ZINC001168987861 1000015883 /nfs/dbraw/zinc/01/58/83/1000015883.db2.gz KXMWPFYMDGZPIS-PKOBYXMFSA-N 1 0 361.486 2.737 20 5 FFBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2ccc3nnc(-c4ccccc4)n3c2)C1 ZINC001168990010 1000016066 /nfs/dbraw/zinc/01/60/66/1000016066.db2.gz ANGZFBBDVHUJEX-RHSMWYFYSA-N 1 0 351.410 2.931 20 5 FFBDRO O=C1N(c2cccc(F)c2)CC12CC[NH+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169029677 1000016075 /nfs/dbraw/zinc/01/60/75/1000016075.db2.gz VAJQMRHOJRKUFF-ZBFHGGJFSA-N 1 0 361.417 2.700 20 5 FFBDRO O=C1Nc2ccccc2CN1C1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169030069 1000016196 /nfs/dbraw/zinc/01/61/96/1000016196.db2.gz VXIJELOZYHVDOJ-PBHICJAKSA-N 1 0 358.442 2.944 20 5 FFBDRO CC(C)(C)OC(=O)N1CC2(C1)CCC[N@@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169035898 1000016667 /nfs/dbraw/zinc/01/66/67/1000016667.db2.gz MFILNIGVFBKUHA-GJZGRUSLSA-N 1 0 353.463 2.765 20 5 FFBDRO O=C(c1cccc(Cl)c1)N1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169036999 1000016730 /nfs/dbraw/zinc/01/67/30/1000016730.db2.gz HVKXPFIYFYCTLO-XJKSGUPXSA-N 1 0 351.834 2.543 20 5 FFBDRO O=C(c1ccc(Cl)cc1)N1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169038957 1000017049 /nfs/dbraw/zinc/01/70/49/1000017049.db2.gz LUGSUMWVPSTPTD-XJKSGUPXSA-N 1 0 351.834 2.543 20 5 FFBDRO O=[N+]([O-])C[C@H]1CC[C@@H](N(c2ncnc3ccccc32)C2CC[NH2+]CC2)C1 ZINC001169043769 1000017253 /nfs/dbraw/zinc/01/72/53/1000017253.db2.gz HOQIBWLPMWIFPM-GOEBONIOSA-N 1 0 355.442 2.634 20 5 FFBDRO O=C1C[C@]2(CC[N@@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)CN1c1cccc(F)c1 ZINC001169018876 1000017258 /nfs/dbraw/zinc/01/72/58/1000017258.db2.gz CWPGKPOHYMLZIA-ALKREAHSSA-N 1 0 361.417 2.700 20 5 FFBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2C[C@@H]3COC[C@]3(COCC3CCCC3)C2)C1 ZINC001169025798 1000018137 /nfs/dbraw/zinc/01/81/37/1000018137.db2.gz VJGAENBQOIRTFY-NCXUSEDFSA-N 1 0 352.475 2.587 20 5 FFBDRO COc1cc(N2CC[NH+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)ccc1Cl ZINC001169046807 1000018457 /nfs/dbraw/zinc/01/84/57/1000018457.db2.gz NDISEZJYFOGLAD-UONOGXRCSA-N 1 0 353.850 2.916 20 5 FFBDRO COc1cccc(C[C@H]2CN(C(=O)c3cc(C)ccc3[N+](=O)[O-])CC[NH2+]2)c1 ZINC001169252011 1000034980 /nfs/dbraw/zinc/03/49/80/1000034980.db2.gz SVYHSJWQCUOEEY-INIZCTEOSA-N 1 0 369.421 2.569 20 5 FFBDRO [NH3+]Cc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)c(F)c1 ZINC000846694217 1000411559 /nfs/dbraw/zinc/41/15/59/1000411559.db2.gz UCYVUTBSCZGHGM-UHFFFAOYSA-N 1 0 372.400 2.723 20 5 FFBDRO CC[C@H]1C[N@H+](C)CCCN1C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000846972053 1000490282 /nfs/dbraw/zinc/49/02/82/1000490282.db2.gz LMGZPSISSDAFIJ-ZDUSSCGKSA-N 1 0 364.402 2.676 20 5 FFBDRO CC[NH+](CC)CCCCNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC001148903278 1001233214 /nfs/dbraw/zinc/23/32/14/1001233214.db2.gz CYXKOSKNRQOIME-UHFFFAOYSA-N 1 0 354.426 2.652 20 5 FFBDRO C[C@@H]([NH2+]C[C@H](c1ccccc1)N1CCOCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788506465 1001813764 /nfs/dbraw/zinc/81/37/64/1001813764.db2.gz LQCJPVBXXLWHEQ-FOIQADDNSA-N 1 0 370.453 2.901 20 5 FFBDRO CCC(CC)[C@@H](C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)N1CCOCC1 ZINC000788506241 1001814336 /nfs/dbraw/zinc/81/43/36/1001814336.db2.gz KDFREEYLUXMIDG-AUUYWEPGSA-N 1 0 364.490 2.965 20 5 FFBDRO COC(=O)COc1cccc(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000788643795 1001831427 /nfs/dbraw/zinc/83/14/27/1001831427.db2.gz LGKSIXJOGQPHNW-GFCCVEGCSA-N 1 0 359.382 2.580 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)c1F ZINC000790550435 1002409964 /nfs/dbraw/zinc/40/99/64/1002409964.db2.gz KBFWHHUPOMVEMG-UHFFFAOYSA-N 1 0 371.412 2.871 20 5 FFBDRO COc1ccc(C[C@H](C)[NH2+]C[C@H](O)COc2ccccc2)c([N+](=O)[O-])c1 ZINC001170296743 1003090610 /nfs/dbraw/zinc/09/06/10/1003090610.db2.gz IADRYIAPMLOXNS-HOCLYGCPSA-N 1 0 360.410 2.564 20 5 FFBDRO COc1ccc(C[C@@H](C)[NH2+][C@@H](CO)COCc2ccccc2)c([N+](=O)[O-])c1 ZINC001170311346 1003102940 /nfs/dbraw/zinc/10/29/40/1003102940.db2.gz ALCYAZOOHVBVNY-QAPCUYQASA-N 1 0 374.437 2.702 20 5 FFBDRO COc1ccc(C[C@@H](C)[NH2+][C@@H](C)[C@H](O)c2cccc(O)c2)c([N+](=O)[O-])c1 ZINC001170315290 1003104590 /nfs/dbraw/zinc/10/45/90/1003104590.db2.gz WPRIVSWXPSPOBS-NQCMUKECSA-N 1 0 360.410 2.952 20 5 FFBDRO COc1ccc(C[C@@H](C)[NH2+][C@@H]2CCN(c3cc(C)ncn3)C2)c([N+](=O)[O-])c1 ZINC001170322888 1003109560 /nfs/dbraw/zinc/10/95/60/1003109560.db2.gz IDYZWYLUUIEOLL-GDBMZVCRSA-N 1 0 371.441 2.501 20 5 FFBDRO COc1ccc(C[C@H](C)[NH2+]C2CCC3(CCC(=O)N3)CC2)c([N+](=O)[O-])c1 ZINC001170306507 1003119413 /nfs/dbraw/zinc/11/94/13/1003119413.db2.gz WNYDWEXJJLTZMW-XIWWETDGSA-N 1 0 361.442 2.715 20 5 FFBDRO COc1ccc(C[C@H](C)[NH+]2CCC(NC(=O)C(C)C)CC2)c([N+](=O)[O-])c1 ZINC001170345819 1003131619 /nfs/dbraw/zinc/13/16/19/1003131619.db2.gz MJXDVBIVELLGTM-AWEZNQCLSA-N 1 0 363.458 2.771 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]Cc3cnc4n3CCCC4)CC2)cc1 ZINC000793563236 1003424869 /nfs/dbraw/zinc/42/48/69/1003424869.db2.gz DJPBQKPCBOEPNQ-UHFFFAOYSA-N 1 0 355.442 2.886 20 5 FFBDRO COc1ccc(CN2CC3(CCCC3)OC[C@@H]2C[NH+](C)C)cc1[N+](=O)[O-] ZINC001196189951 1003685439 /nfs/dbraw/zinc/68/54/39/1003685439.db2.gz WKMOMQXDTZZPNZ-INIZCTEOSA-N 1 0 363.458 2.679 20 5 FFBDRO O=C(NCc1ccc2c[nH+]cn2c1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC001129554460 1003698610 /nfs/dbraw/zinc/69/86/10/1003698610.db2.gz UBIMAZFQOSQAKP-UHFFFAOYSA-N 1 0 362.292 2.774 20 5 FFBDRO Cc1cc(F)cc(C(=O)N2CC([N@H+](C)Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000804532714 1003714024 /nfs/dbraw/zinc/71/40/24/1003714024.db2.gz HNOGMKJEVGRODW-UHFFFAOYSA-N 1 0 357.385 2.999 20 5 FFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](c2nnc(N)o2)C1 ZINC001196526350 1003806471 /nfs/dbraw/zinc/80/64/71/1003806471.db2.gz OTLZSZXOGCRGIG-LBPRGKRZSA-N 1 0 361.402 2.727 20 5 FFBDRO O=C(NCc1ccc(C[NH2+]CC2CCCCC2)cc1F)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001001522777 1016829536 /nfs/dbraw/zinc/82/95/36/1016829536.db2.gz IAPSEUISLPDNCA-SJLPKXTDSA-N 1 0 363.433 2.777 20 5 FFBDRO CCCNC(=O)OC[C@@H]1CCCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000805777055 1004128851 /nfs/dbraw/zinc/12/88/51/1004128851.db2.gz YQGLURAAPUWPQQ-DLBZAZTESA-N 1 0 365.430 2.619 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(c2cncn2C)CC1 ZINC001198768318 1004734052 /nfs/dbraw/zinc/73/40/52/1004734052.db2.gz GKKFHFCWNZRIQF-UHFFFAOYSA-N 1 0 371.441 2.845 20 5 FFBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000808192381 1004771124 /nfs/dbraw/zinc/77/11/24/1004771124.db2.gz RRVLJBIIMDNEAP-DNVCBOLYSA-N 1 0 355.442 2.974 20 5 FFBDRO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776275140 1005342336 /nfs/dbraw/zinc/34/23/36/1005342336.db2.gz JJYJYYWHIXVVDU-LIRRHRJNSA-N 1 0 367.409 2.902 20 5 FFBDRO O=C(N[C@H]1CC[C@H](C[NH2+]Cc2ccc(C3CC3)cc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001050326373 1016970131 /nfs/dbraw/zinc/97/01/31/1016970131.db2.gz ZNZDDOYPKIBPSN-HUYLIWGRSA-N 1 0 371.481 2.994 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H](O)COc1cccc(F)c1 ZINC000850427579 1005815134 /nfs/dbraw/zinc/81/51/34/1005815134.db2.gz WMFBGVHVOKFJIB-SWLSCSKDSA-N 1 0 364.373 2.833 20 5 FFBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000851643061 1005902138 /nfs/dbraw/zinc/90/21/38/1005902138.db2.gz MMYWPQDNVLWYIY-PMBGHPPTSA-N 1 0 351.406 2.870 20 5 FFBDRO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776580515 1005961249 /nfs/dbraw/zinc/96/12/49/1005961249.db2.gz VYLMDUQXSLRZSW-YXJHDRRASA-N 1 0 363.458 2.645 20 5 FFBDRO CCc1nn(C)c(Nc2ccc(N3CC[N@@H+]4CCC[C@H]4C3)cc2)c1[N+](=O)[O-] ZINC001187454750 1006090572 /nfs/dbraw/zinc/09/05/72/1006090572.db2.gz PPLOURHOYUFBNQ-INIZCTEOSA-N 1 0 370.457 2.919 20 5 FFBDRO CC(C)c1ccccc1C[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 ZINC001050516452 1017036057 /nfs/dbraw/zinc/03/60/57/1017036057.db2.gz BPYQXZYLQNXGLS-RTBURBONSA-N 1 0 371.481 2.900 20 5 FFBDRO CC(=O)c1c([N+](=O)[O-])cccc1N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000882133872 1006305251 /nfs/dbraw/zinc/30/52/51/1006305251.db2.gz FLXDKFQFLNVRLI-SJPCQFCGSA-N 1 0 372.469 2.545 20 5 FFBDRO CC(=O)c1c(NCc2ccnc(OCC[NH+](C)C)c2)cccc1[N+](=O)[O-] ZINC000882142339 1006306311 /nfs/dbraw/zinc/30/63/11/1006306311.db2.gz GCYLPBKMSKOANV-UHFFFAOYSA-N 1 0 358.398 2.745 20 5 FFBDRO CC1([NH+]2CCC2)CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000882501044 1006413480 /nfs/dbraw/zinc/41/34/80/1006413480.db2.gz ICYNZKJNGGFJAC-UHFFFAOYSA-N 1 0 360.458 2.874 20 5 FFBDRO CCc1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])c(C(N)=O)c3)CC2)cc1 ZINC000882809885 1006513024 /nfs/dbraw/zinc/51/30/24/1006513024.db2.gz QQGQOTXNBZFDSL-UHFFFAOYSA-N 1 0 368.437 2.578 20 5 FFBDRO C[C@@H](NC(=O)N1CCN(c2cc[nH+]cc2)[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000883153932 1006674677 /nfs/dbraw/zinc/67/46/77/1006674677.db2.gz SJHSLTZRIUASIY-HUUCEWRRSA-N 1 0 369.425 2.971 20 5 FFBDRO COc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C)cc3)C2)cc1[N+](=O)[O-] ZINC001152412247 1032162426 /nfs/dbraw/zinc/16/24/26/1032162426.db2.gz UBJYSQZQMDIKOF-QGZVFWFLSA-N 1 0 369.421 2.916 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC001189253716 1006976711 /nfs/dbraw/zinc/97/67/11/1006976711.db2.gz OXGOZMKJXZWKEB-SWLSCSKDSA-N 1 0 369.487 2.610 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2ncn(C[N@@H+]3CCC[C@@H]3C3CCOCC3)n2)c1 ZINC000776769393 1007059290 /nfs/dbraw/zinc/05/92/90/1007059290.db2.gz FJDCATSZGUTWRK-QGZVFWFLSA-N 1 0 357.414 2.702 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)cc1Cl ZINC000855346042 1007294567 /nfs/dbraw/zinc/29/45/67/1007294567.db2.gz MJVRRKCEUOPGQW-ZDUSSCGKSA-N 1 0 370.881 2.558 20 5 FFBDRO CCOC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]CCOc2ccccc2[N+](=O)[O-])C1 ZINC000776819185 1007425268 /nfs/dbraw/zinc/42/52/68/1007425268.db2.gz UEPLVEGOSHMUPC-HUUCEWRRSA-N 1 0 365.430 2.820 20 5 FFBDRO CCC1([NH+]2CCC2)CCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1 ZINC000884718394 1007518334 /nfs/dbraw/zinc/51/83/34/1007518334.db2.gz CUWNPMMPWOHRGU-UHFFFAOYSA-N 1 0 358.442 2.934 20 5 FFBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N(C)C[C@H]2CCC[N@@H+]2C)CC1 ZINC000817492646 1007619927 /nfs/dbraw/zinc/61/99/27/1007619927.db2.gz ZOPZPGZXIZWWGC-QGZVFWFLSA-N 1 0 374.485 2.997 20 5 FFBDRO CCC[N@H+](C)CC(C)(C)NC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000856281764 1007748481 /nfs/dbraw/zinc/74/84/81/1007748481.db2.gz JYNYSBSVSMIKQB-UHFFFAOYSA-N 1 0 366.418 2.672 20 5 FFBDRO CC[N@H+](C)Cc1cc(O[C@@H]2CCN(c3ncc(C)cc3[N+](=O)[O-])C2)ccn1 ZINC000856533782 1007873681 /nfs/dbraw/zinc/87/36/81/1007873681.db2.gz MRRRUDJQWYUKJE-QGZVFWFLSA-N 1 0 371.441 2.803 20 5 FFBDRO C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818951455 1007990589 /nfs/dbraw/zinc/99/05/89/1007990589.db2.gz GBRHRLWAIXYCNB-SUMWQHHRSA-N 1 0 358.394 2.968 20 5 FFBDRO O=C1CCCN1Cc1cccc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000818958575 1007994475 /nfs/dbraw/zinc/99/44/75/1007994475.db2.gz RAQGGUPJDMHXBG-IBGZPJMESA-N 1 0 369.421 2.540 20 5 FFBDRO Nc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000114694409 1008017855 /nfs/dbraw/zinc/01/78/55/1008017855.db2.gz YZQTXRFBWZGLLJ-INIZCTEOSA-N 1 0 354.410 2.571 20 5 FFBDRO O=C(CCC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)N1CCc2ccccc21 ZINC000819052399 1008019521 /nfs/dbraw/zinc/01/95/21/1008019521.db2.gz FQTHACWNTQHVOE-LJQANCHMSA-N 1 0 369.421 2.587 20 5 FFBDRO CCO[C@@H]1C[C@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@H]1Oc1ccccc1 ZINC000819243258 1008069560 /nfs/dbraw/zinc/06/95/60/1008069560.db2.gz ROVYZFZVGODIQH-VNTMZGSJSA-N 1 0 372.421 2.843 20 5 FFBDRO O=C(Nc1ccccc1)N1CC[C@@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000819293695 1008085961 /nfs/dbraw/zinc/08/59/61/1008085961.db2.gz FFKINWLHHKSPDM-SJLPKXTDSA-N 1 0 370.409 2.524 20 5 FFBDRO Cc1ccc(NC[C@@H](O)c2cccc([N+](=O)[O-])c2)c(OCC[NH+](C)C)c1 ZINC000819446035 1008134971 /nfs/dbraw/zinc/13/49/71/1008134971.db2.gz XTUQBOSRSWAQOE-GOSISDBHSA-N 1 0 359.426 2.989 20 5 FFBDRO CN1CC[N@H+](C)Cc2ccc(NC[C@H](O)c3ccc([N+](=O)[O-])cc3)cc21 ZINC000819466217 1008160686 /nfs/dbraw/zinc/16/06/86/1008160686.db2.gz LOVADGBTDKQAJI-IBGZPJMESA-N 1 0 356.426 2.622 20 5 FFBDRO CN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)Cc1ccc(C[NH+](C)C)cc1 ZINC000859214615 1008488218 /nfs/dbraw/zinc/48/82/18/1008488218.db2.gz LJXASOABQORITL-UHFFFAOYSA-N 1 0 370.453 2.751 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@H]1CC[C@@H]([NH+]2CCN(C)CC2)CC1 ZINC000821938920 1008504965 /nfs/dbraw/zinc/50/49/65/1008504965.db2.gz VLHALWHDRPONMQ-CALCHBBNSA-N 1 0 374.485 2.500 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2noc(CN3CCCC[C@]4(CC[NH2+]C4)C3)n2)cc1 ZINC000886869723 1008908590 /nfs/dbraw/zinc/90/85/90/1008908590.db2.gz GORTYKKMUNFNEZ-GOSISDBHSA-N 1 0 357.414 2.610 20 5 FFBDRO CC[NH+](CC)CCCCNC(=O)c1cc(F)c([N+](=O)[O-])cc1NC(C)=O ZINC000823301442 1009014427 /nfs/dbraw/zinc/01/44/27/1009014427.db2.gz JBXWJFKSGVHSFS-UHFFFAOYSA-N 1 0 368.409 2.544 20 5 FFBDRO O=C(O[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1 ZINC000860739200 1009132605 /nfs/dbraw/zinc/13/26/05/1009132605.db2.gz ILPHLSAGRXAOBF-TZMCWYRMSA-N 1 0 374.372 2.703 20 5 FFBDRO Nc1ccc(NC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000824008065 1009292609 /nfs/dbraw/zinc/29/26/09/1009292609.db2.gz CXLGBOGGTHPUFA-OAHLLOKOSA-N 1 0 359.386 2.729 20 5 FFBDRO COc1ccc(C[NH2+]CCCONC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC001179677503 1009414863 /nfs/dbraw/zinc/41/48/63/1009414863.db2.gz SNBMZDZSTCLJEV-UHFFFAOYSA-N 1 0 355.391 2.539 20 5 FFBDRO C[C@H]([NH2+][C@@H]1CCc2ccccc2OC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000509517368 1009527734 /nfs/dbraw/zinc/52/77/34/1009527734.db2.gz TXJBBQWGTJZWBO-DZGCQCFKSA-N 1 0 355.394 2.905 20 5 FFBDRO C[C@H]([NH2+][C@H]1CCc2ccccc2OC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000509517371 1009528266 /nfs/dbraw/zinc/52/82/66/1009528266.db2.gz TXJBBQWGTJZWBO-ZFWWWQNUSA-N 1 0 355.394 2.905 20 5 FFBDRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000862166580 1009729129 /nfs/dbraw/zinc/72/91/29/1009729129.db2.gz IRJCUUDJUNNOKX-HNNXBMFYSA-N 1 0 372.469 2.750 20 5 FFBDRO [NH3+]C[C@H]1COc2ccccc2N1c1ccc(-c2cccc([N+](=O)[O-])c2)nn1 ZINC001171394516 1009738670 /nfs/dbraw/zinc/73/86/70/1009738670.db2.gz YGJRXQVTGPZVGS-HNNXBMFYSA-N 1 0 363.377 2.910 20 5 FFBDRO CCOC(=O)c1[nH]c(C)c(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)c1C ZINC000862366201 1009809864 /nfs/dbraw/zinc/80/98/64/1009809864.db2.gz DELVYABGKQNJER-UHFFFAOYSA-N 1 0 360.414 2.682 20 5 FFBDRO CN(c1ccccc1)c1ccc(C[N@@H+]2C[C@@H]3COC(=O)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000862545388 1009876498 /nfs/dbraw/zinc/87/64/98/1009876498.db2.gz RIBHGKGKPLEDOF-NVXWUHKLSA-N 1 0 367.405 2.968 20 5 FFBDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)CCNC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000794464410 1010043958 /nfs/dbraw/zinc/04/39/58/1010043958.db2.gz PFYYSIPXTRKYMR-DZGCQCFKSA-N 1 0 367.446 2.830 20 5 FFBDRO CC(C)[C@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@H](O)c1ccccc1 ZINC000794602233 1010434880 /nfs/dbraw/zinc/43/48/80/1010434880.db2.gz CZUZZVQVSJBGPU-VQTJNVASSA-N 1 0 371.437 2.905 20 5 FFBDRO C[N@H+](CN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O)[C@H]1CCC(C)(C)C1 ZINC000794688347 1010474324 /nfs/dbraw/zinc/47/43/24/1010474324.db2.gz YKPFAOIYBFZVLJ-KXBFYZLASA-N 1 0 374.441 2.830 20 5 FFBDRO C[NH+](C)CCOc1ccc(NC(=O)Cc2cccc(F)c2[N+](=O)[O-])cc1 ZINC000864926130 1010638995 /nfs/dbraw/zinc/63/89/95/1010638995.db2.gz BPYFTTDOKMJOAO-UHFFFAOYSA-N 1 0 361.373 2.856 20 5 FFBDRO C[NH+]1CCC2(CCN(c3ccc(C(=O)NC4CC4)cc3[N+](=O)[O-])CC2)CC1 ZINC000866054761 1010918258 /nfs/dbraw/zinc/91/82/58/1010918258.db2.gz IXBRKQUWRCXOLP-UHFFFAOYSA-N 1 0 372.469 2.799 20 5 FFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCc1nnc2n1CCCCC2 ZINC000866223586 1010955400 /nfs/dbraw/zinc/95/54/00/1010955400.db2.gz IJZULVDTHQJDIV-CYBMUJFWSA-N 1 0 361.421 2.815 20 5 FFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1cccc(N2CCOCC2)n1 ZINC000866340933 1010980030 /nfs/dbraw/zinc/98/00/30/1010980030.db2.gz IRWODKDPBDNKDD-AWEZNQCLSA-N 1 0 374.416 2.686 20 5 FFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1CCC2(CCOCC2)[C@H]1O ZINC000866352915 1010982031 /nfs/dbraw/zinc/98/20/31/1010982031.db2.gz BZHPLUCKRNNWBI-XUWXXGDYSA-N 1 0 366.433 2.822 20 5 FFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCN1C[C@H]2CCCCN2C1=O ZINC000866391952 1010987248 /nfs/dbraw/zinc/98/72/48/1010987248.db2.gz UHIKZWNLWOOORC-CZUORRHYSA-N 1 0 364.421 2.545 20 5 FFBDRO CN(CCC[N@H+](C)Cc1ccncc1)C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000868391362 1011277991 /nfs/dbraw/zinc/27/79/91/1011277991.db2.gz IZAOXEUFNSHVIG-UHFFFAOYSA-N 1 0 374.416 2.652 20 5 FFBDRO COc1cc(C[NH+](C)C)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000868813201 1011488760 /nfs/dbraw/zinc/48/87/60/1011488760.db2.gz UCLUEGIALCZUKM-UHFFFAOYSA-N 1 0 372.425 2.983 20 5 FFBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC001171862407 1011512543 /nfs/dbraw/zinc/51/25/43/1011512543.db2.gz ZBQDAESGLPMSPV-ZDUSSCGKSA-N 1 0 364.421 2.843 20 5 FFBDRO NC(=O)c1ccccc1OCC[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172903214 1012076429 /nfs/dbraw/zinc/07/64/29/1012076429.db2.gz PLXCBDOURSBGCJ-INIZCTEOSA-N 1 0 369.421 2.610 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CCCN(c3ncccn3)CC1)CC2 ZINC001172914480 1012095785 /nfs/dbraw/zinc/09/57/85/1012095785.db2.gz GXGZYBNDHGOCDL-GOSISDBHSA-N 1 0 367.453 2.845 20 5 FFBDRO CC[NH+](CC)C[C@@H]1CN([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCO1 ZINC001172913035 1012125316 /nfs/dbraw/zinc/12/53/16/1012125316.db2.gz OMXDXUALYUXCBX-AZUAARDMSA-N 1 0 361.486 2.885 20 5 FFBDRO CC1=NC2(CC[NH+]([C@H]3CCc4ccc([N+](=O)[O-])cc4CC3)CC2)C(=O)N1C ZINC001172911689 1012125814 /nfs/dbraw/zinc/12/58/14/1012125814.db2.gz DWPJEDLSTFKZLY-KRWDZBQOSA-N 1 0 370.453 2.567 20 5 FFBDRO O=c1[nH]cccc1C[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173008350 1012176582 /nfs/dbraw/zinc/17/65/82/1012176582.db2.gz VDCHZOLGSWEZIG-UHFFFAOYSA-N 1 0 364.352 2.732 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH2+]C[C@H]3CCC[C@H](O)C3)CC2)c(F)c1 ZINC001173010059 1012178784 /nfs/dbraw/zinc/17/87/84/1012178784.db2.gz QXYSTINTBYWSRB-WFASDCNBSA-N 1 0 369.412 2.983 20 5 FFBDRO C[C@@H]1CC[N@@H+](C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)CC[C@H]1O ZINC001173010581 1012179080 /nfs/dbraw/zinc/17/90/80/1012179080.db2.gz VLHVJDAPEPGJQD-SJKOYZFVSA-N 1 0 369.412 2.935 20 5 FFBDRO CN1CCC[C@H]1C[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173011871 1012181254 /nfs/dbraw/zinc/18/12/54/1012181254.db2.gz MQLMVFSFBJDBPD-ZDUSSCGKSA-N 1 0 354.401 2.526 20 5 FFBDRO C[C@@H]1C[N@H+](C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)C[C@H](C)O1 ZINC001173014082 1012183990 /nfs/dbraw/zinc/18/39/90/1012183990.db2.gz JYIBXLPFHSVCBV-TXEJJXNPSA-N 1 0 355.385 2.951 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]Cc2nnc3c(C)cccn23)c1F ZINC001173175800 1012319684 /nfs/dbraw/zinc/31/96/84/1012319684.db2.gz SUZWZIYYZKJKCX-GFCCVEGCSA-N 1 0 373.388 2.814 20 5 FFBDRO COC(=O)CC1CC[NH+]([C@@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])CC1 ZINC001173179791 1012321625 /nfs/dbraw/zinc/32/16/25/1012321625.db2.gz GUXBXPSOERGQGX-LBPRGKRZSA-N 1 0 368.405 2.949 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CCC[C@@](F)(CO)CC2)c1F ZINC001173180026 1012325176 /nfs/dbraw/zinc/32/51/76/1012325176.db2.gz ICRAJDFRILJDPH-SJCJKPOMSA-N 1 0 358.385 2.860 20 5 FFBDRO CCOC(=O)C(C)(C)C[NH2+][C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173184280 1012329842 /nfs/dbraw/zinc/32/98/42/1012329842.db2.gz POFWPDJASIJXEP-NSHDSACASA-N 1 0 356.394 2.852 20 5 FFBDRO CCC[NH+]1C[C@@H]2CN([C@@H](C)Cc3c(F)c(OC)ccc3[N+](=O)[O-])C[C@H]2C1 ZINC001173191321 1012330807 /nfs/dbraw/zinc/33/08/07/1012330807.db2.gz BXZMNNKEJKGIPV-RRFJBIMHSA-N 1 0 365.449 2.947 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+](C)[C@H]2CCCN(C(C)=O)C2)c1F ZINC001173191462 1012331058 /nfs/dbraw/zinc/33/10/58/1012331058.db2.gz FKBXUVGSJHVORN-OCCSQVGLSA-N 1 0 367.421 2.616 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CC(=O)Nc2ccccc2)c1F ZINC001173189650 1012331683 /nfs/dbraw/zinc/33/16/83/1012331683.db2.gz PGZJSAJBLQONJA-LBPRGKRZSA-N 1 0 361.373 2.902 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CC[C@H]([N@H+](C)C3CC3)C2)c1F ZINC001173192118 1012335593 /nfs/dbraw/zinc/33/55/93/1012335593.db2.gz IGMNMOLOKYITOV-OCCSQVGLSA-N 1 0 351.422 2.842 20 5 FFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1)C1(C[NH3+])COC1 ZINC001173215360 1012349442 /nfs/dbraw/zinc/34/94/42/1012349442.db2.gz VKAGRSNKFMSUFX-MRXNPFEDSA-N 1 0 355.438 2.756 20 5 FFBDRO COc1cccc(N2CC[NH+]([C@@H](C)Cc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC001173231722 1012364271 /nfs/dbraw/zinc/36/42/71/1012364271.db2.gz CMYPXGKWRRULGL-HNNXBMFYSA-N 1 0 356.426 2.752 20 5 FFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1C[C@@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC001173228528 1012364902 /nfs/dbraw/zinc/36/49/02/1012364902.db2.gz YVFYSBMWCUNEOL-NEWSRXKRSA-N 1 0 366.465 2.985 20 5 FFBDRO CCC1=NC2(CC[NH+]([C@@H](C)Cc3ccc([N+](=O)[O-])cc3)CC2)C(=O)N1C ZINC001173235943 1012367315 /nfs/dbraw/zinc/36/73/15/1012367315.db2.gz CROWFFPCCMHKJM-AWEZNQCLSA-N 1 0 358.442 2.641 20 5 FFBDRO O=[N+]([O-])c1ccc2[nH]c(-c3nc(-c4ccc5c(n4)CC[NH2+]C5)no3)cc2c1 ZINC001217162496 1032631371 /nfs/dbraw/zinc/63/13/71/1032631371.db2.gz UZHKJNJITDWELM-UHFFFAOYSA-N 1 0 362.349 2.834 20 5 FFBDRO C[NH+](C)C1(C)CCC(NC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CC1 ZINC000871362231 1012884283 /nfs/dbraw/zinc/88/42/83/1012884283.db2.gz OHUJTHLSQLMHME-UHFFFAOYSA-N 1 0 371.441 2.773 20 5 FFBDRO CC1(C)CC(C[N@@H+]2CCc3c(CNC(=O)[C@@H]4C[C@H]4[N+](=O)[O-])cccc3C2)C1 ZINC001051291650 1017271024 /nfs/dbraw/zinc/27/10/24/1017271024.db2.gz WTXCEIMIEMWRRL-RTBURBONSA-N 1 0 371.481 2.762 20 5 FFBDRO C[C@@H](NC(=O)N1CCN(c2cc[nH+]cc2)[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000925252621 1017680050 /nfs/dbraw/zinc/68/00/50/1017680050.db2.gz LYQLKEMJFHAQEC-HUUCEWRRSA-N 1 0 369.425 2.971 20 5 FFBDRO CN(C)c1cc[nH+]c(CNC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)c1 ZINC000927709355 1018634234 /nfs/dbraw/zinc/63/42/34/1018634234.db2.gz RYLKALLUWBCXLR-UHFFFAOYSA-N 1 0 354.410 2.794 20 5 FFBDRO CC1([NH+]2CCCC2)CCC(NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000928005665 1018737674 /nfs/dbraw/zinc/73/76/74/1018737674.db2.gz MVIYLRDRLFEGCC-URSIVYNOSA-N 1 0 361.442 2.542 20 5 FFBDRO C[NH+](C)CC[C@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)c1cccnc1 ZINC000928836160 1019151108 /nfs/dbraw/zinc/15/11/08/1019151108.db2.gz FPXCMSAFCJFTEJ-SFHVURJKSA-N 1 0 356.426 2.732 20 5 FFBDRO CC(C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N)[NH+]1CCC(C)CC1 ZINC000801816730 1019413738 /nfs/dbraw/zinc/41/37/38/1019413738.db2.gz SITYTYYLFAZGIU-QGZVFWFLSA-N 1 0 366.437 2.802 20 5 FFBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H](O)CC[C@@H](O)c1ccccc1 ZINC000930353088 1019992656 /nfs/dbraw/zinc/99/26/56/1019992656.db2.gz GUUZMJKYGOZIGJ-VQTJNVASSA-N 1 0 358.438 2.944 20 5 FFBDRO [NH3+][C@@H]1c2ccccc2C[C@H]1Nc1ccc([N+](=O)[O-])c(N2CCOCC2)c1F ZINC000900021224 1020142783 /nfs/dbraw/zinc/14/27/83/1020142783.db2.gz UUEDCURSSCRZAG-CRAIPNDOSA-N 1 0 372.400 2.607 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2cnn(CN3CCN(c4cc[nH+]cc4)CC3)c2)c1 ZINC000777952324 1020301916 /nfs/dbraw/zinc/30/19/16/1020301916.db2.gz ZFKJOXJGUBKJJC-UHFFFAOYSA-N 1 0 364.409 2.633 20 5 FFBDRO O=[N+]([O-])c1cnn(CN2CCC(c3ccccc3)([NH+]3CCCC3)CC2)c1 ZINC000902577651 1020302884 /nfs/dbraw/zinc/30/28/84/1020302884.db2.gz GIMLKTDOQLIUMW-UHFFFAOYSA-N 1 0 355.442 2.836 20 5 FFBDRO COc1c(C)[nH]cc(C[N@H+](C)CCCOc2ccc([N+](=O)[O-])cc2)c1=O ZINC000931322980 1020422415 /nfs/dbraw/zinc/42/24/15/1020422415.db2.gz ITFZQMZWPPDFDN-UHFFFAOYSA-N 1 0 361.398 2.501 20 5 FFBDRO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000800627024 1020426669 /nfs/dbraw/zinc/42/66/69/1020426669.db2.gz JTWRPWVWPZGFPC-UHFFFAOYSA-N 1 0 374.372 2.681 20 5 FFBDRO Cc1cc(C)cc([C@H](O)C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c1 ZINC000800896599 1020631969 /nfs/dbraw/zinc/63/19/69/1020631969.db2.gz NQFWXOUCKHYKAQ-QGZVFWFLSA-N 1 0 358.394 2.806 20 5 FFBDRO COc1cc([C@H](C)[NH2+]CCc2nnc3n2CCCCC3)cc([N+](=O)[O-])c1 ZINC000903065773 1020659738 /nfs/dbraw/zinc/65/97/38/1020659738.db2.gz FZACLWYYVORLIA-ZDUSSCGKSA-N 1 0 359.430 2.815 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]([C@@]2(C)COC(=O)N2)C1 ZINC000932027432 1020674101 /nfs/dbraw/zinc/67/41/01/1020674101.db2.gz YJUYQKNGZWJLKY-RDTXWAMCSA-N 1 0 363.414 2.704 20 5 FFBDRO CNC(=O)c1cccc(CC[NH2+][C@@H](C)c2cc(OC)cc([N+](=O)[O-])c2)c1 ZINC000903100124 1020677905 /nfs/dbraw/zinc/67/79/05/1020677905.db2.gz QCGYGBGBEGMQJW-ZDUSSCGKSA-N 1 0 357.410 2.856 20 5 FFBDRO O=C1NCC2(CCN(Cc3ccccc3[N+](=O)[O-])CC2)Oc2ccccc21 ZINC000932044022 1020685957 /nfs/dbraw/zinc/68/59/57/1020685957.db2.gz AOQKRTRFXZIYQO-UHFFFAOYSA-N 1 0 367.405 2.752 20 5 FFBDRO O=[N+]([O-])c1cc(F)cc(Br)c1O[C@@H]1C[NH2+]CCC[C@@H]1F ZINC001217979247 1032929220 /nfs/dbraw/zinc/92/92/20/1032929220.db2.gz HCUUZARDDZKORS-GXSJLCMTSA-N 1 0 351.147 2.965 20 5 FFBDRO COc1cc([C@@H](C)[NH2+][C@H]2Cc3ccccc3N(C)C2=O)cc([N+](=O)[O-])c1 ZINC000903200719 1020736118 /nfs/dbraw/zinc/73/61/18/1020736118.db2.gz SNDBIKRPKVNXET-PXAZEXFGSA-N 1 0 355.394 2.842 20 5 FFBDRO COc1cc([C@@H](C)[NH2+]Cc2ccc(N3CCNC3=O)cc2)cc([N+](=O)[O-])c1 ZINC000903217354 1020747437 /nfs/dbraw/zinc/74/74/37/1020747437.db2.gz VDYOPYOSFKPFFM-CYBMUJFWSA-N 1 0 370.409 2.984 20 5 FFBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CC1(C2(O)CCOCC2)CC1)C1CC1 ZINC000903349184 1020798507 /nfs/dbraw/zinc/79/85/07/1020798507.db2.gz DRBIXOZAQXDWIZ-QGZVFWFLSA-N 1 0 360.454 2.827 20 5 FFBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CC1(C2(O)CCOCC2)CC1)C1CC1 ZINC000903349183 1020798589 /nfs/dbraw/zinc/79/85/89/1020798589.db2.gz DRBIXOZAQXDWIZ-KRWDZBQOSA-N 1 0 360.454 2.827 20 5 FFBDRO CCO[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Br ZINC001116685165 1021354616 /nfs/dbraw/zinc/35/46/16/1021354616.db2.gz WIRHPVOBYBLWMF-UONOGXRCSA-N 1 0 359.220 2.641 20 5 FFBDRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1 ZINC000778300984 1021559144 /nfs/dbraw/zinc/55/91/44/1021559144.db2.gz ZRPXAYYXCIJXBA-CQSZACIVSA-N 1 0 367.396 2.877 20 5 FFBDRO COC(=O)c1cc(Cl)cc([N+](=O)[O-])c1O[C@H]1CCC[C@]12CC[NH2+]C2 ZINC001218094142 1032991093 /nfs/dbraw/zinc/99/10/93/1032991093.db2.gz LSVPZGJADASEER-XJKSGUPXSA-N 1 0 354.790 2.946 20 5 FFBDRO O=C(OCc1ccc(F)cc1[N+](=O)[O-])[C@H]1CN(Cc2ccccc2)CCO1 ZINC001118391339 1022211501 /nfs/dbraw/zinc/21/15/01/1022211501.db2.gz KXQZVGARAMHKFS-GOSISDBHSA-N 1 0 374.368 2.678 20 5 FFBDRO C[C@H](Oc1cccc(N2CC[NH2+]CC2)c1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001218215936 1033054365 /nfs/dbraw/zinc/05/43/65/1033054365.db2.gz XCHADFJPUBVAMJ-ZDUSSCGKSA-N 1 0 371.393 2.873 20 5 FFBDRO CO[C@H]1COCC[C@@H]1N(C)Cc1ccc([N+](=O)[O-])cc1Br ZINC001119271086 1022648032 /nfs/dbraw/zinc/64/80/32/1022648032.db2.gz SXOMQJCKKUTJES-KBPBESRZSA-N 1 0 359.220 2.593 20 5 FFBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC001119437958 1022766387 /nfs/dbraw/zinc/76/63/87/1022766387.db2.gz CMYWZMSZUUUASW-UHFFFAOYSA-N 1 0 361.377 2.758 20 5 FFBDRO C/C(=C\C(=O)N(CC[NH+](C)C)Cc1ccccn1)c1ccc([N+](=O)[O-])cc1 ZINC000752074991 1023050027 /nfs/dbraw/zinc/05/00/27/1023050027.db2.gz QPCOQFQRWDUKKL-JQIJEIRASA-N 1 0 368.437 2.984 20 5 FFBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2C[C@H]([NH3+])C(C)(C)C2)CC1 ZINC001122245706 1023141857 /nfs/dbraw/zinc/14/18/57/1023141857.db2.gz KRNGHVXRDAJQCP-KRWDZBQOSA-N 1 0 360.458 2.640 20 5 FFBDRO CCN(C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CCC[NH2+]C1 ZINC001122524384 1023318359 /nfs/dbraw/zinc/31/83/59/1023318359.db2.gz YXHCHWXVDRMCAZ-AWEZNQCLSA-N 1 0 360.439 2.932 20 5 FFBDRO CC(C)[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1nnc2ccccn21 ZINC000754192476 1023437450 /nfs/dbraw/zinc/43/74/50/1023437450.db2.gz WZGPCHULGXTFDM-RDJZCZTQSA-N 1 0 355.398 2.658 20 5 FFBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccnc(OCC[NH+](C)C)c1 ZINC000754410740 1023466336 /nfs/dbraw/zinc/46/63/36/1023466336.db2.gz UVOXVIPWTJFKTM-WYMLVPIESA-N 1 0 370.409 2.972 20 5 FFBDRO COc1cc(F)c([N+](=O)[O-])c(N2CC[C@H](OCC[NH+]3CCCCC3)C2)c1 ZINC000754784106 1023516872 /nfs/dbraw/zinc/51/68/72/1023516872.db2.gz GOUOLKVCHWRQFB-AWEZNQCLSA-N 1 0 367.421 2.824 20 5 FFBDRO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000755192827 1023576266 /nfs/dbraw/zinc/57/62/66/1023576266.db2.gz PLYFOINKFGGMNP-WLGQOEQESA-N 1 0 373.453 2.711 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C3CCOCC3)CC2)c(OC(F)F)c1 ZINC001121039579 1023579228 /nfs/dbraw/zinc/57/92/28/1023579228.db2.gz VLROSARQCGUIOQ-UHFFFAOYSA-N 1 0 371.384 2.934 20 5 FFBDRO CCC1(CC)CC[N@H+](CN2C(=O)N[C@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000755930058 1023653140 /nfs/dbraw/zinc/65/31/40/1023653140.db2.gz GLPGKLCEDKKEPQ-GOSISDBHSA-N 1 0 374.441 2.831 20 5 FFBDRO COc1ccccc1C(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001121251534 1023670783 /nfs/dbraw/zinc/67/07/83/1023670783.db2.gz GGKYYAIXOACNPL-UHFFFAOYSA-N 1 0 370.409 2.608 20 5 FFBDRO CC[N@H+](CCC1CCN(c2nnc([C@@H](C)[N+](=O)[O-])n2C)CC1)CC(C)C ZINC001121295862 1023692930 /nfs/dbraw/zinc/69/29/30/1023692930.db2.gz AJUZVZOYTKGJGT-OAHLLOKOSA-N 1 0 366.510 2.737 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N(C)Cc1ccc(C[NH+](C)C)cc1 ZINC000757664475 1023844379 /nfs/dbraw/zinc/84/43/79/1023844379.db2.gz GSRLWILSUFQTMC-UHFFFAOYSA-N 1 0 357.410 2.937 20 5 FFBDRO CCn1c(-c2csc([N+](=O)[O-])c2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001121680626 1023923399 /nfs/dbraw/zinc/92/33/99/1023923399.db2.gz GUNQMQNIAIFQOZ-UHFFFAOYSA-N 1 0 364.475 2.855 20 5 FFBDRO CCn1c([C@H](C)[N+](=O)[O-])nnc1N1CCC(CC)([NH+]2CCCCC2)CC1 ZINC001121700719 1023934935 /nfs/dbraw/zinc/93/49/35/1023934935.db2.gz XZTOKKIRMHENJU-HNNXBMFYSA-N 1 0 364.494 2.871 20 5 FFBDRO CC[NH+](CC)CC[C@H](C)NC(=O)c1cc(F)c([N+](=O)[O-])cc1NC(C)=O ZINC001124046571 1024256446 /nfs/dbraw/zinc/25/64/46/1024256446.db2.gz FYHOLRZDUCKPME-NSHDSACASA-N 1 0 368.409 2.543 20 5 FFBDRO CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])C1 ZINC001122114226 1024348475 /nfs/dbraw/zinc/34/84/75/1024348475.db2.gz GWAZCFVQADFIQC-GOSISDBHSA-N 1 0 351.422 2.890 20 5 FFBDRO [NH3+][C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC[C@@H]1C(F)(F)F ZINC001122160376 1024394818 /nfs/dbraw/zinc/39/48/18/1024394818.db2.gz ZOONCMVOWGVFQQ-WPRPVWTQSA-N 1 0 351.712 2.600 20 5 FFBDRO C[NH+](C)Cc1cccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000193912696 1024714246 /nfs/dbraw/zinc/71/42/46/1024714246.db2.gz YUEXLLYTYCZGQO-UHFFFAOYSA-N 1 0 368.437 2.619 20 5 FFBDRO Cc1ccccc1C[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000195148210 1024949311 /nfs/dbraw/zinc/94/93/11/1024949311.db2.gz XGRHCVIMWJYLTK-UHFFFAOYSA-N 1 0 368.437 2.880 20 5 FFBDRO Cc1c(C(=O)NC2CC[NH+](C(C)C)CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000195334184 1024987979 /nfs/dbraw/zinc/98/79/79/1024987979.db2.gz GHORWIQSBJYLSB-UHFFFAOYSA-N 1 0 364.402 2.722 20 5 FFBDRO O=C1OCCN1c1cc([N+](=O)[O-])ccc1NC1CC([NH+]2CCCCC2)C1 ZINC000795260727 1025395385 /nfs/dbraw/zinc/39/53/85/1025395385.db2.gz LDIHVNWHLTYPLE-UHFFFAOYSA-N 1 0 360.414 2.980 20 5 FFBDRO C[N+](C)(C)C[C@H](O)CC(=O)O[C@@H](c1ccc(Cl)cc1)c1ccccn1 ZINC001223110781 1033293732 /nfs/dbraw/zinc/29/37/32/1033293732.db2.gz WKHWBMDFYOSCFA-APWZRJJASA-N 1 0 363.865 2.825 20 5 FFBDRO CC(C)[N@@H+]1CCCC[C@@H]1COC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000837385761 1025763528 /nfs/dbraw/zinc/76/35/28/1025763528.db2.gz DKJUCQDEJMNOGY-OAHLLOKOSA-N 1 0 373.413 2.595 20 5 FFBDRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000638482803 1025859803 /nfs/dbraw/zinc/85/98/03/1025859803.db2.gz CXDLTNJPRZFXAN-FQEVSTJZSA-N 1 0 363.461 2.611 20 5 FFBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)O[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000837574278 1025907929 /nfs/dbraw/zinc/90/79/29/1025907929.db2.gz XVPCXRVWWKBEMP-CYBMUJFWSA-N 1 0 359.357 2.747 20 5 FFBDRO O=C(C[NH+](C1CCC1)C1CCC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000795458005 1026282110 /nfs/dbraw/zinc/28/21/10/1026282110.db2.gz JNIMGUFJURVLIM-UHFFFAOYSA-N 1 0 372.469 2.650 20 5 FFBDRO Cc1c(C(=O)NC(C)(C)CCC[NH+](C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000839412902 1026670593 /nfs/dbraw/zinc/67/05/93/1026670593.db2.gz XICBWFSYVTXJBV-UHFFFAOYSA-N 1 0 366.418 2.970 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@](C(N)=O)(c2ccccc2)C1 ZINC000839643358 1026771603 /nfs/dbraw/zinc/77/16/03/1026771603.db2.gz RQPYJQFDBLNXDC-FQEVSTJZSA-N 1 0 369.421 2.623 20 5 FFBDRO C[C@@H]1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000839646240 1026773733 /nfs/dbraw/zinc/77/37/33/1026773733.db2.gz KTFRQWYFISFAJL-UZLBHIALSA-N 1 0 355.438 2.835 20 5 FFBDRO C[C@@]12C[N@H+](Cn3cc([N+](=O)[O-])c(-c4ccncc4)n3)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000840114585 1026961393 /nfs/dbraw/zinc/96/13/93/1026961393.db2.gz GXLQRWKQSBUHMH-OLMMMNRUSA-N 1 0 351.410 2.955 20 5 FFBDRO CSc1nc(Cl)nc(N2CCCc3ccc(C[NH3+])nc32)c1[N+](=O)[O-] ZINC001158652609 1027084558 /nfs/dbraw/zinc/08/45/58/1027084558.db2.gz RNZKWXTWGMKPST-UHFFFAOYSA-N 1 0 366.834 2.698 20 5 FFBDRO O=[N+]([O-])c1c(Cl)nc(C(F)(F)F)nc1NCC12CC[NH+](CC1)CC2 ZINC001158828844 1027153196 /nfs/dbraw/zinc/15/31/96/1027153196.db2.gz PCTBWFSTOMLGOQ-UHFFFAOYSA-N 1 0 365.743 2.955 20 5 FFBDRO CCOC(=O)c1c(Nc2ccc(O)c([N+](=O)[O-])c2)sc2c1CC[NH2+]C2 ZINC001159209054 1027314155 /nfs/dbraw/zinc/31/41/55/1027314155.db2.gz SYTQNEOFCXOZGQ-UHFFFAOYSA-N 1 0 363.395 2.928 20 5 FFBDRO CC(C)c1n[nH]c(C(=O)NC2CCC3(CC2)CC[NH+](C)CC3)c1[N+](=O)[O-] ZINC001159519093 1027417545 /nfs/dbraw/zinc/41/75/45/1027417545.db2.gz OOXMXUIGMIBBRG-UHFFFAOYSA-N 1 0 363.462 2.826 20 5 FFBDRO COC(=O)c1ccnc(-n2cc(C[C@@H](C)[NH3+])c3ccc(C)cc32)c1[N+](=O)[O-] ZINC001160010596 1027560647 /nfs/dbraw/zinc/56/06/47/1027560647.db2.gz ISRXRNGZDJCBDA-GFCCVEGCSA-N 1 0 368.393 2.918 20 5 FFBDRO Cc1cccc(CCC[N@H+]2CC=C(CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 ZINC001160096989 1027588210 /nfs/dbraw/zinc/58/82/10/1027588210.db2.gz DMRJXFACJMQHBN-WOJBJXKFSA-N 1 0 371.481 2.731 20 5 FFBDRO CC(C)Oc1nc(NCc2ccccc2N2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC001160113157 1027596629 /nfs/dbraw/zinc/59/66/29/1027596629.db2.gz ZQIHDRUZOLYEAI-UHFFFAOYSA-N 1 0 371.441 2.799 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])cnc1-n1cc(C(C)(C)C[NH3+])c2ccccc21 ZINC001160842076 1027897267 /nfs/dbraw/zinc/89/72/67/1027897267.db2.gz BKOMVOCJVUMMEN-UHFFFAOYSA-N 1 0 368.393 2.957 20 5 FFBDRO CCC(CC)[NH+]1CCC(Nc2nc(NC(C)=O)nc(C)c2[N+](=O)[O-])CC1 ZINC001161100756 1028011653 /nfs/dbraw/zinc/01/16/53/1028011653.db2.gz QIUJWYZKPOKNDT-UHFFFAOYSA-N 1 0 364.450 2.717 20 5 FFBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(NC2CC[NH+](CC(C)(C)C)CC2)n1 ZINC001161212539 1028070767 /nfs/dbraw/zinc/07/07/67/1028070767.db2.gz MROXBBFTXXATPF-UHFFFAOYSA-N 1 0 364.450 2.574 20 5 FFBDRO COc1cc(N2CCC([NH3+])(Cc3ccccc3F)CC2)ncc1[N+](=O)[O-] ZINC001161987909 1028384359 /nfs/dbraw/zinc/38/43/59/1028384359.db2.gz VEASXFRSAIENJV-UHFFFAOYSA-N 1 0 360.389 2.678 20 5 FFBDRO Cc1c(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000249948064 1028410844 /nfs/dbraw/zinc/41/08/44/1028410844.db2.gz ZUIGOERPKCBCHM-VXGBXAGGSA-N 1 0 364.402 2.662 20 5 FFBDRO COCCC1([NH3+])CCN(c2cc([N+](=O)[O-])cc3c(Cl)ncnc32)CC1 ZINC001162046188 1028413428 /nfs/dbraw/zinc/41/34/28/1028413428.db2.gz RKAIKINMDHKFHY-UHFFFAOYSA-N 1 0 365.821 2.526 20 5 FFBDRO COc1ccc(OC)c([C@@H](O)C[N@H+](C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000796110454 1028474199 /nfs/dbraw/zinc/47/41/99/1028474199.db2.gz CWGALJCHDYRLFV-SFHVURJKSA-N 1 0 360.410 2.820 20 5 FFBDRO C[NH+](C)C[C@H]1COCCN1c1ccc2c(ccc(Cl)c2[N+](=O)[O-])n1 ZINC001154978369 1028534459 /nfs/dbraw/zinc/53/44/59/1028534459.db2.gz SCKSTMMAFNCAGU-NSHDSACASA-N 1 0 350.806 2.563 20 5 FFBDRO CN(C)/C=C/c1cc(-n2cncc2-c2cccc(C[NH3+])c2)ncc1[N+](=O)[O-] ZINC001162564965 1028581343 /nfs/dbraw/zinc/58/13/43/1028581343.db2.gz LPRLBDIJBWEXJV-VOTSOKGWSA-N 1 0 364.409 2.834 20 5 FFBDRO O=[N+]([O-])c1cnc(Cl)c(C(F)(F)NC[C@]2(F)CCCC[NH2+]C2)c1 ZINC001155116254 1028585531 /nfs/dbraw/zinc/58/55/31/1028585531.db2.gz HCCXCRJYYMNBOD-LBPRGKRZSA-N 1 0 352.744 2.764 20 5 FFBDRO CCOC1(OCC)CC[NH2+]C[C@@H]1Nc1cc(C)c2cc([N+](=O)[O-])ccc2n1 ZINC001155226453 1028633744 /nfs/dbraw/zinc/63/37/44/1028633744.db2.gz ANFQWDRQIZBOBO-KRWDZBQOSA-N 1 0 374.441 2.995 20 5 FFBDRO O=C(N[C@H]1c2ccccc2CC[C@H]1[NH+]1CCCC1)c1cc([N+](=O)[O-])c[nH]1 ZINC001162881358 1028692795 /nfs/dbraw/zinc/69/27/95/1028692795.db2.gz WWDSTJVMLBOXJD-MSOLQXFVSA-N 1 0 354.410 2.805 20 5 FFBDRO CC(C)[C@@H]1CCC[N@H+](CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000780499097 1028714764 /nfs/dbraw/zinc/71/47/64/1028714764.db2.gz RJKBQHPCPQPFBH-CQSZACIVSA-N 1 0 360.414 2.689 20 5 FFBDRO COc1nc(N[C@H]2CC3(CC[NH2+]CC3)c3ccc(C)cc32)ncc1[N+](=O)[O-] ZINC001155431612 1028731932 /nfs/dbraw/zinc/73/19/32/1028731932.db2.gz VLTUKJDBEVOBHA-HNNXBMFYSA-N 1 0 369.425 2.880 20 5 FFBDRO Cc1cc(NC[C@H]2OC[C@H]3C[NH2+]CC[C@H]32)c([N+](=O)[O-])cc1Br ZINC001163175966 1028833403 /nfs/dbraw/zinc/83/34/03/1028833403.db2.gz KXZYHXIENORQQM-UEKVPHQBSA-N 1 0 370.247 2.702 20 5 FFBDRO Cc1cc(N[C@@H]2CCO[C@@]3(CC[NH2+]C3)C2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001163317258 1028889404 /nfs/dbraw/zinc/88/94/04/1028889404.db2.gz UPCMBZIEUILPRS-BEFAXECRSA-N 1 0 369.425 2.683 20 5 FFBDRO O=[N+]([O-])c1ccccc1-c1ccc(N[C@H]2CCCC[C@@]23C[NH2+]CCO3)nn1 ZINC001155834453 1028934494 /nfs/dbraw/zinc/93/44/94/1028934494.db2.gz VUHLKKMSNGFTTK-PKOBYXMFSA-N 1 0 369.425 2.765 20 5 FFBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N2CC[NH2+]C[C@@H]2c2cccs2)n1 ZINC001156089388 1029042336 /nfs/dbraw/zinc/04/23/36/1029042336.db2.gz MAJCOJQVXPRUEM-MRVPVSSYSA-N 1 0 371.875 2.973 20 5 FFBDRO [NH3+][C@H]1CCN(c2nc3ccsc3c(Oc3cccc([N+](=O)[O-])c3)n2)C1 ZINC001164279227 1029231327 /nfs/dbraw/zinc/23/13/27/1029231327.db2.gz OUFRJLCWMGCYCM-JTQLQIEISA-N 1 0 357.395 2.929 20 5 FFBDRO COC(=O)C1(Nc2ccc3c(ccc(Cl)c3[N+](=O)[O-])n2)CC[NH2+]CC1 ZINC001156536651 1029236997 /nfs/dbraw/zinc/23/69/97/1029236997.db2.gz UZSYQPKAOVALAO-UHFFFAOYSA-N 1 0 364.789 2.504 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N2C[C@H]3CC[N@H+](Cc4ccccc4)[C@H]3C2)c1 ZINC001165089305 1029380618 /nfs/dbraw/zinc/38/06/18/1029380618.db2.gz TUBMRDFKGLAKAP-ZBFHGGJFSA-N 1 0 374.828 2.592 20 5 FFBDRO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1N(C)c1ncc([N+](=O)[O-])cc1N ZINC001165181865 1029437191 /nfs/dbraw/zinc/43/71/91/1029437191.db2.gz RTNNQCSVBOIDRF-RDTXWAMCSA-N 1 0 355.442 2.919 20 5 FFBDRO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1N(C)c1ncc([N+](=O)[O-])cc1N ZINC001165181863 1029437833 /nfs/dbraw/zinc/43/78/33/1029437833.db2.gz RTNNQCSVBOIDRF-KBXCAEBGSA-N 1 0 355.442 2.919 20 5 FFBDRO COc1nc(C)c([N+](=O)[O-])c(-n2nc(C3CC[NH2+]CC3)c3ccccc32)n1 ZINC001157380719 1029570248 /nfs/dbraw/zinc/57/02/48/1029570248.db2.gz FWKZKEWZRSUEQM-UHFFFAOYSA-N 1 0 368.397 2.508 20 5 FFBDRO CC1(C)CC(NC(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CC(C)(C)[NH2+]1 ZINC000782112435 1029575295 /nfs/dbraw/zinc/57/52/95/1029575295.db2.gz QUUDSRLFJAWFJZ-INIZCTEOSA-N 1 0 374.441 2.513 20 5 FFBDRO O=[N+]([O-])c1ccc2ccc(N(c3cnccn3)C3CC[NH2+]CC3)nc2c1 ZINC001157537447 1029611271 /nfs/dbraw/zinc/61/12/71/1029611271.db2.gz JCQQTMSEJPPIKH-UHFFFAOYSA-N 1 0 350.382 2.823 20 5 FFBDRO [NH3+]CCc1nc(-c2ccccc2)nn1-c1ccc2c(cccc2[N+](=O)[O-])n1 ZINC001157896885 1029681624 /nfs/dbraw/zinc/68/16/24/1029681624.db2.gz MJSIKLSLQDJIPE-UHFFFAOYSA-N 1 0 360.377 2.892 20 5 FFBDRO CC(C)N(c1nc(C(F)(F)F)nc(Cl)c1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC001158032153 1029712168 /nfs/dbraw/zinc/71/21/68/1029712168.db2.gz CPPZRZNRKALQHE-ZETCQYMHSA-N 1 0 353.732 2.634 20 5 FFBDRO COc1ccc(C[N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)cn1 ZINC000782525961 1029732532 /nfs/dbraw/zinc/73/25/32/1029732532.db2.gz FREBXSAYWISXBP-UHFFFAOYSA-N 1 0 362.361 2.598 20 5 FFBDRO COc1nc(-n2c(CCC[NH3+])nc3ccc(Cl)cc32)ccc1[N+](=O)[O-] ZINC001158134988 1029742077 /nfs/dbraw/zinc/74/20/77/1029742077.db2.gz NLWIAVBLDUWKHJ-UHFFFAOYSA-N 1 0 361.789 2.882 20 5 FFBDRO COc1ccnc(N(c2nc(C)cc(C)c2[N+](=O)[O-])C2CC[NH2+]CC2)c1 ZINC001158323166 1029797217 /nfs/dbraw/zinc/79/72/17/1029797217.db2.gz WMANYORAGSSJBX-UHFFFAOYSA-N 1 0 357.414 2.900 20 5 FFBDRO O=[N+]([O-])c1cnc(Cl)nc1N1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001165416594 1029972699 /nfs/dbraw/zinc/97/26/99/1029972699.db2.gz IAQVBHFRJDEHDC-DYVFJYSZSA-N 1 0 359.817 2.622 20 5 FFBDRO Cc1cccc(N(c2nc(C)ncc2[N+](=O)[O-])[C@@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001165773514 1030119933 /nfs/dbraw/zinc/11/99/33/1030119933.db2.gz LBORLACIKKAPGZ-LPHOPBHVSA-N 1 0 369.425 2.661 20 5 FFBDRO COc1nc(-n2c([C@H]3CCC[NH2+]3)cc3ccccc32)nc(OC)c1[N+](=O)[O-] ZINC001166653688 1030469371 /nfs/dbraw/zinc/46/93/71/1030469371.db2.gz QQYFATKEUQDEJR-GFCCVEGCSA-N 1 0 369.381 2.770 20 5 FFBDRO N=c1nc([C@H]2CCC[NH2+]2)ccn1-c1ccc2c(ccc(Cl)c2[N+](=O)[O-])n1 ZINC001166700253 1030484643 /nfs/dbraw/zinc/48/46/43/1030484643.db2.gz DJVHZGMKGURPFJ-CYBMUJFWSA-N 1 0 370.800 2.886 20 5 FFBDRO CCC[NH2+][C@H]1CCc2c(sc(=N)n2-c2nc(C)cc(C)c2[N+](=O)[O-])C1 ZINC001166875657 1030559819 /nfs/dbraw/zinc/55/98/19/1030559819.db2.gz XMSGKRYZSWPMPL-LBPRGKRZSA-N 1 0 361.471 2.795 20 5 FFBDRO COc1cc2ccn(C(=O)CN(C)C)c2cc1Nc1ccc([N+](=O)[O-])nc1 ZINC001203580346 1030769492 /nfs/dbraw/zinc/76/94/92/1030769492.db2.gz NKAOSHZWTJSZJY-UHFFFAOYSA-N 1 0 369.381 2.899 20 5 FFBDRO C[NH+](C)[C@@H](CNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000842511831 1030772961 /nfs/dbraw/zinc/77/29/61/1030772961.db2.gz CXBMYZPOVRHZQJ-QTJNJRLBSA-N 1 0 353.422 2.897 20 5 FFBDRO CC(C)Oc1cccc([C@@H](O)C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000843083490 1031178261 /nfs/dbraw/zinc/17/82/61/1031178261.db2.gz YCSUPEZDSDHLSS-MOPGFXCFSA-N 1 0 360.410 2.739 20 5 FFBDRO [NH3+][C@@H]1CCN([C@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)C1 ZINC000843344733 1031338651 /nfs/dbraw/zinc/33/86/51/1031338651.db2.gz UBPAQWWQGHAXQM-DYVFJYSZSA-N 1 0 374.828 2.961 20 5 FFBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000843481854 1031421065 /nfs/dbraw/zinc/42/10/65/1031421065.db2.gz TWOVGSKBSJAAHM-HUUCEWRRSA-N 1 0 360.458 2.513 20 5 FFBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000843481852 1031421214 /nfs/dbraw/zinc/42/12/14/1031421214.db2.gz TWOVGSKBSJAAHM-CABCVRRESA-N 1 0 360.458 2.513 20 5 FFBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000798523431 1031445639 /nfs/dbraw/zinc/44/56/39/1031445639.db2.gz JPSVODBMTOLQGB-IBGZPJMESA-N 1 0 356.426 2.575 20 5 FFBDRO CC[NH+]1CCN(c2cc(N(C)C(=O)[C@@H]3C[C@@H]3C(C)C)cc([N+](=O)[O-])c2)CC1 ZINC001535174622 1069738167 /nfs/dbraw/zinc/73/81/67/1069738167.db2.gz OBBQNTOQBPOQQY-RTBURBONSA-N 1 0 374.485 2.992 20 5 FFBDRO CC(C)c1n[nH]c(C(=O)NCCC2CC[NH+](C(C)C)CC2)c1[N+](=O)[O-] ZINC001149818014 1031599933 /nfs/dbraw/zinc/59/99/33/1031599933.db2.gz CQHAZWHMMLCINH-UHFFFAOYSA-N 1 0 351.451 2.682 20 5 FFBDRO O=C(NCC1([NH2+]Cc2ccc3c(c2)CCC3)CCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001115530845 1031789777 /nfs/dbraw/zinc/78/97/77/1031789777.db2.gz UZTDCZXRQQNYGN-RTBURBONSA-N 1 0 371.481 2.749 20 5 FFBDRO CN(CC1([NH+](C)C)CCC1)C(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001138363280 1034198996 /nfs/dbraw/zinc/19/89/96/1034198996.db2.gz LLTSZASIABBBDA-UHFFFAOYSA-N 1 0 356.426 2.887 20 5 FFBDRO CC(C)c1cc(Br)ccc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001225383426 1034229801 /nfs/dbraw/zinc/22/98/01/1034229801.db2.gz AEIYCBVZRQPEOH-CYBMUJFWSA-N 1 0 359.284 2.935 20 5 FFBDRO O=C1C[C@H]2C[C@@H](Oc3ncccc3[N+](=O)[O-])[C@@H](C1)N2Cc1ccccc1 ZINC001225598709 1034327963 /nfs/dbraw/zinc/32/79/63/1034327963.db2.gz YJCKPKDFDNJDJF-BMGDILEWSA-N 1 0 353.378 2.743 20 5 FFBDRO O=C1C[C@H]2C[C@H](Oc3ccc([N+](=O)[O-])cn3)[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001225634752 1034347080 /nfs/dbraw/zinc/34/70/80/1034347080.db2.gz NXVUSHQIDZUPEF-JQHSSLGASA-N 1 0 353.378 2.743 20 5 FFBDRO COC(=O)c1cc(OC)c(O[C@@H]2CCC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC001226433743 1034681606 /nfs/dbraw/zinc/68/16/06/1034681606.db2.gz JSIOHQNDNAVJGA-GFCCVEGCSA-N 1 0 352.387 2.642 20 5 FFBDRO C[C@@H]([NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)C(=O)NCCc1ccccc1 ZINC000834913026 1035474020 /nfs/dbraw/zinc/47/40/20/1035474020.db2.gz GBHKTMYLELLYTP-ZIAGYGMSSA-N 1 0 356.426 2.575 20 5 FFBDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2Oc1ccc2c(c1)oc1cc(=O)ccc-1[n+]2[O-] ZINC001227454159 1035561912 /nfs/dbraw/zinc/56/19/12/1035561912.db2.gz YFRYHZBPTBGCIR-GFENJXEQSA-N 1 0 366.417 2.640 20 5 FFBDRO O=[N+]([O-])c1c(Cl)ccnc1O[C@H]1COCCN(Cc2ccccc2)C1 ZINC001228016148 1035879850 /nfs/dbraw/zinc/87/98/50/1035879850.db2.gz BJNBKNVPXKXUTG-CQSZACIVSA-N 1 0 363.801 2.923 20 5 FFBDRO C[C@H](C[N+](C)(C)C)Oc1ncnc2ccc(I)cc21 ZINC001228395186 1036087046 /nfs/dbraw/zinc/08/70/46/1036087046.db2.gz MCBMJTKUOZELEU-SNVBAGLBSA-N 1 0 372.230 2.708 20 5 FFBDRO C[N@@H+]1CCc2cc(O[C@H](C[N+](=O)[O-])c3ccc4c(c3)OCO4)ccc2C1 ZINC001228945027 1036421218 /nfs/dbraw/zinc/42/12/18/1036421218.db2.gz RZKYGHHTQXDGSA-LJQANCHMSA-N 1 0 356.378 2.800 20 5 FFBDRO CC(=O)O[C@H]1C[C@@H]2C[C@H](Oc3cc([N+](=O)[O-])cc4cccnc43)C[C@H]1[N@@H+]2C ZINC001229345803 1036623617 /nfs/dbraw/zinc/62/36/17/1036623617.db2.gz HZWWCFHUTMDGQA-LLLHUVSDSA-N 1 0 371.393 2.689 20 5 FFBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(C(=O)CNC(=O)OC(C)(C)C)cc1 ZINC001234449018 1037040190 /nfs/dbraw/zinc/04/01/90/1037040190.db2.gz DYWKFRFANIQRED-AWEZNQCLSA-O 1 0 351.467 2.868 20 5 FFBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cc(Br)c2ccccc2c1 ZINC001231017493 1037436533 /nfs/dbraw/zinc/43/65/33/1037436533.db2.gz SDFLCPZZAVLDFE-CYBMUJFWSA-N 1 0 367.263 2.965 20 5 FFBDRO CO[C@@H]1CC[N@H+](CCOc2c([N+](=O)[O-])cc(C(C)(C)C)cc2[N+](=O)[O-])C1 ZINC001231197997 1037496504 /nfs/dbraw/zinc/49/65/04/1037496504.db2.gz KIUCEYKBJKYNFA-CYBMUJFWSA-N 1 0 367.402 2.900 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC001537097844 1070120116 /nfs/dbraw/zinc/12/01/16/1070120116.db2.gz YLVWWSJLCRAZCN-RDJZCZTQSA-N 1 0 368.437 2.939 20 5 FFBDRO COc1cc(N2CCC([NH2+][C@@H]3CC34CCOCC4)CC2)ccc1[N+](=O)[O-] ZINC001256088487 1038373357 /nfs/dbraw/zinc/37/33/57/1038373357.db2.gz VUHHRMPCLHGHQW-GOSISDBHSA-N 1 0 361.442 2.731 20 5 FFBDRO COc1ccc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])c(OC)c3)CC2)nc1 ZINC001256090282 1038375565 /nfs/dbraw/zinc/37/55/65/1038375565.db2.gz QDFBQTJTYLIWKM-UHFFFAOYSA-N 1 0 372.425 2.766 20 5 FFBDRO COc1cc(N2CCC([N@@H+]3CC[C@@]4(CCCO4)C3)CC2)ccc1[N+](=O)[O-] ZINC001256093553 1038380310 /nfs/dbraw/zinc/38/03/10/1038380310.db2.gz NKITWMIHABUWSX-IBGZPJMESA-N 1 0 361.442 2.827 20 5 FFBDRO C[C@@H]1C[N@@H+](CCc2nnc(-c3c[nH]c4ccc([N+](=O)[O-])cc43)o2)C[C@H](C)O1 ZINC001258021518 1039120794 /nfs/dbraw/zinc/12/07/94/1039120794.db2.gz YHIOMXLTFRNKLF-TXEJJXNPSA-N 1 0 371.397 2.778 20 5 FFBDRO COC(=O)c1cc(-c2nc3cc(C[NH+](C)C)ccc3[nH]2)cc([N+](=O)[O-])c1 ZINC001251528890 1039167494 /nfs/dbraw/zinc/16/74/94/1039167494.db2.gz JXLZBPSOYQGYJJ-UHFFFAOYSA-N 1 0 354.366 2.986 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CCC[C@H]([NH2+]C3CC3)C2)c1F ZINC001246908970 1039527097 /nfs/dbraw/zinc/52/70/97/1039527097.db2.gz HLWFWSZAKKJGKH-OCCSQVGLSA-N 1 0 351.422 2.890 20 5 FFBDRO COc1nccc(C)c1-c1noc(C[C@@H]([NH3+])c2ccccc2[N+](=O)[O-])n1 ZINC001249343243 1040691902 /nfs/dbraw/zinc/69/19/02/1040691902.db2.gz YQLSCKHWCPCLHL-GFCCVEGCSA-N 1 0 355.354 2.599 20 5 FFBDRO [NH3+][C@H](Cc1nc(-c2cccc3ccnn32)no1)c1ccc([N+](=O)[O-])cc1 ZINC001249343421 1040691949 /nfs/dbraw/zinc/69/19/49/1040691949.db2.gz ZNCNASOFNIZMFV-CQSZACIVSA-N 1 0 350.338 2.535 20 5 FFBDRO O=C(C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)Cc1ccccc1 ZINC001254467682 1040735495 /nfs/dbraw/zinc/73/54/95/1040735495.db2.gz CYLJACOTXRZKFM-UHFFFAOYSA-N 1 0 353.422 2.965 20 5 FFBDRO COc1ccc(OC[C@@H](O)C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC001254535944 1040787840 /nfs/dbraw/zinc/78/78/40/1040787840.db2.gz MNUYHAWEFARLKQ-ZBFHGGJFSA-N 1 0 360.410 2.564 20 5 FFBDRO CCO[C@H]1CC[N@H+]([C@@H](C)Cc2ccccc2[N+](=O)[O-])[C@H]1Cc1cnn(C)c1 ZINC001254558799 1040796090 /nfs/dbraw/zinc/79/60/90/1040796090.db2.gz VTYPNAYEHZABER-YSSFQJQWSA-N 1 0 372.469 2.981 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]C[C@H]1OCCc3cn(CC4CC4)nc31)C2 ZINC001254572869 1040810440 /nfs/dbraw/zinc/81/04/40/1040810440.db2.gz UGGTWUVMROGAKA-IEBWSBKVSA-N 1 0 368.437 2.572 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]Cc1cccc(OC3CCOCC3)n1)C2 ZINC001254580121 1040812038 /nfs/dbraw/zinc/81/20/38/1040812038.db2.gz CDKVACDLQUBWNI-KRWDZBQOSA-N 1 0 369.421 2.805 20 5 FFBDRO CCOC(=O)[C@H](C[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC001254587810 1040818669 /nfs/dbraw/zinc/81/86/69/1040818669.db2.gz ZOYSAUURSHZGFX-PKOBYXMFSA-N 1 0 354.406 2.999 20 5 FFBDRO CN(C)C(=O)N1CCCC12CC[NH+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)CC2 ZINC001254597525 1040826859 /nfs/dbraw/zinc/82/68/59/1040826859.db2.gz VWIKKOJCNUIJSI-SFHVURJKSA-N 1 0 372.469 2.674 20 5 FFBDRO CC[C@@H]1[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCC[C@]12CCC(=O)N2C ZINC001254596876 1040827137 /nfs/dbraw/zinc/82/71/37/1040827137.db2.gz SIVPAEZXBGFSHX-HBFSDRIKSA-N 1 0 357.454 2.927 20 5 FFBDRO O=c1[nH]cc([N+](=O)[O-])cc1-c1nnc([C@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC001255457331 1041347013 /nfs/dbraw/zinc/34/70/13/1041347013.db2.gz ULPUJBFHXSXDMJ-ZDUSSCGKSA-N 1 0 367.365 2.735 20 5 FFBDRO COc1cc(CN2C3CCC2(CO)CC3)c([N+](=O)[O-])cc1OC(F)F ZINC001262313369 1041638768 /nfs/dbraw/zinc/63/87/68/1041638768.db2.gz FQIAPPYMFXGAPN-UHFFFAOYSA-N 1 0 358.341 2.694 20 5 FFBDRO CCn1c(-c2ccc([N+](=O)[O-])o2)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001263021031 1042039590 /nfs/dbraw/zinc/03/95/90/1042039590.db2.gz JEABOEARUJYQQC-UHFFFAOYSA-N 1 0 362.434 2.777 20 5 FFBDRO O=C(CCc1cc(F)ccc1[N+](=O)[O-])N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001263108794 1042108118 /nfs/dbraw/zinc/10/81/18/1042108118.db2.gz HIEMSCRKCZUQSP-CVEARBPZSA-N 1 0 363.433 2.905 20 5 FFBDRO CC[NH+](CC)CC[C@@H](C)NC(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC001264012756 1042581732 /nfs/dbraw/zinc/58/17/32/1042581732.db2.gz VYTMQNYBPCGQOM-CYBMUJFWSA-N 1 0 365.430 2.606 20 5 FFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)NCCN(C)CCC[NH+](C)C ZINC001310801984 1043744196 /nfs/dbraw/zinc/74/41/96/1043744196.db2.gz SFLMWLNIHPUALS-UHFFFAOYSA-N 1 0 371.869 2.562 20 5 FFBDRO CC[NH+](CC)CC[C@H](C)NC(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC001312363047 1044100837 /nfs/dbraw/zinc/10/08/37/1044100837.db2.gz VVUQKECWVUDIFZ-ZDUSSCGKSA-N 1 0 352.435 2.523 20 5 FFBDRO CC[NH+](CC)CC[C@@H](C)NC(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC001312363046 1044101142 /nfs/dbraw/zinc/10/11/42/1044101142.db2.gz VVUQKECWVUDIFZ-CYBMUJFWSA-N 1 0 352.435 2.523 20 5 FFBDRO CC[N@@H+]1CCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCC1 ZINC001313895003 1044439478 /nfs/dbraw/zinc/43/94/78/1044439478.db2.gz FOTAKDIFAHZPED-QGZVFWFLSA-N 1 0 370.457 2.938 20 5 FFBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCCC[C@H]2[NH+](C)C)cc1OC ZINC001318672398 1044802503 /nfs/dbraw/zinc/80/25/03/1044802503.db2.gz SKQYNJHPLROUHI-ZIAGYGMSSA-N 1 0 365.430 2.605 20 5 FFBDRO CC(C)(C)[NH+]1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC001319117034 1045033650 /nfs/dbraw/zinc/03/36/50/1045033650.db2.gz MKKJGYVVRGGRGB-UHFFFAOYSA-N 1 0 370.247 2.914 20 5 FFBDRO C[NH+]1CCN(c2ccccc2CNC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC001318267509 1045257376 /nfs/dbraw/zinc/25/73/76/1045257376.db2.gz FOZKXEJGWZADPW-UHFFFAOYSA-N 1 0 369.425 2.668 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001320810952 1045472378 /nfs/dbraw/zinc/47/23/78/1045472378.db2.gz KOVGDXARTWRMRB-JSGCOSHPSA-N 1 0 367.833 2.712 20 5 FFBDRO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC001320991019 1045507867 /nfs/dbraw/zinc/50/78/67/1045507867.db2.gz SQMMQHNRWZCJKV-KBPBESRZSA-N 1 0 357.813 2.919 20 5 FFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](CO)CC1CCOCC1 ZINC001321013963 1045513186 /nfs/dbraw/zinc/51/31/86/1045513186.db2.gz ARTNSAKABKHZGU-WBVHZDCISA-N 1 0 350.459 2.931 20 5 FFBDRO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC001323757741 1045713908 /nfs/dbraw/zinc/71/39/08/1045713908.db2.gz VJAHGXDTBHQRSS-HUUCEWRRSA-N 1 0 354.838 2.920 20 5 FFBDRO Cc1cc(NC[C@@H](CO)CC2CCOCC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC001322013903 1045913222 /nfs/dbraw/zinc/91/32/22/1045913222.db2.gz PFVVYSAZEPSVER-HNNXBMFYSA-N 1 0 359.426 2.710 20 5 FFBDRO CC1(C)[C@H]([NH2+]CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])[C@H]2CCCO[C@H]21 ZINC001324732944 1046194031 /nfs/dbraw/zinc/19/40/31/1046194031.db2.gz DMYPBBJJVVEXEX-HFBAOOFYSA-N 1 0 367.833 2.980 20 5 FFBDRO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC001540082251 1070760748 /nfs/dbraw/zinc/76/07/48/1070760748.db2.gz DLHMLIJZRKFDIP-UHFFFAOYSA-N 1 0 361.377 2.758 20 5 FFBDRO CC[NH+](CC)C1CCN(S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)CC1 ZINC001325650045 1046593575 /nfs/dbraw/zinc/59/35/75/1046593575.db2.gz GDGQFJDSSNXSHI-UHFFFAOYSA-N 1 0 369.487 2.707 20 5 FFBDRO C[C@@H](C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CN(C)C(=O)OC(C)(C)C ZINC001325872191 1046669320 /nfs/dbraw/zinc/66/93/20/1046669320.db2.gz UCOAYQHRKDYLGT-XJKSGUPXSA-N 1 0 367.446 2.721 20 5 FFBDRO [NH3+]Cc1ccccc1CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC001326132383 1046779511 /nfs/dbraw/zinc/77/95/11/1046779511.db2.gz HSZXAQIWQXKJKK-UHFFFAOYSA-N 1 0 354.410 2.584 20 5 FFBDRO CC(C)(CNC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC001540342738 1070853305 /nfs/dbraw/zinc/85/33/05/1070853305.db2.gz KTGVXRXWPKVAOA-UHFFFAOYSA-N 1 0 354.838 2.825 20 5 FFBDRO COc1ccc([C@H]2C[NH2+]CCN2C(=O)c2cc(F)ccc2[N+](=O)[O-])cc1 ZINC001332034744 1048222071 /nfs/dbraw/zinc/22/20/71/1048222071.db2.gz SCHJFVZWIIWYSI-QGZVFWFLSA-N 1 0 359.357 2.529 20 5 FFBDRO C[C@H]1CCC[N@H+](CCNC(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)C1 ZINC001290892614 1048485739 /nfs/dbraw/zinc/48/57/39/1048485739.db2.gz ZSOBMVKEFKDHSV-ZDUSSCGKSA-N 1 0 356.426 2.792 20 5 FFBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)Cc2cccc(F)c2[N+](=O)[O-])C1 ZINC001540934016 1071034810 /nfs/dbraw/zinc/03/48/10/1071034810.db2.gz DJXHAEVWBHSHGC-OKILXGFUSA-N 1 0 351.422 2.761 20 5 FFBDRO COCC[NH+]1CCC(Nc2ncnc3c(Cl)cc([N+](=O)[O-])cc23)CC1 ZINC001333671788 1049044390 /nfs/dbraw/zinc/04/43/90/1049044390.db2.gz PNRHRMWPRHDYMY-UHFFFAOYSA-N 1 0 365.821 2.714 20 5 FFBDRO O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC001333792627 1049120734 /nfs/dbraw/zinc/12/07/34/1049120734.db2.gz XBGDOSWIIQXYST-FQEVSTJZSA-N 1 0 372.469 2.801 20 5 FFBDRO CC[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)OC)[NH+]1CCCC1 ZINC001292187935 1049168343 /nfs/dbraw/zinc/16/83/43/1049168343.db2.gz YZHDOLVDKDUQOF-HNNXBMFYSA-N 1 0 374.445 2.725 20 5 FFBDRO C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001330517085 1049188156 /nfs/dbraw/zinc/18/81/56/1049188156.db2.gz ITDFTPFANUWLMT-PBHICJAKSA-N 1 0 357.414 2.588 20 5 FFBDRO CC1(C)COCCN1CCNc1ncnc2c(Cl)cc([N+](=O)[O-])cc12 ZINC001330635482 1049242986 /nfs/dbraw/zinc/24/29/86/1049242986.db2.gz KUDKCGCAZLRPGN-UHFFFAOYSA-N 1 0 365.821 2.714 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)n1 ZINC001294189192 1049704097 /nfs/dbraw/zinc/70/40/97/1049704097.db2.gz KBJVBPRIJYXWCB-MRXNPFEDSA-N 1 0 354.410 2.645 20 5 FFBDRO CC[N@@H+]1CCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)C1CC1 ZINC001296059325 1050017864 /nfs/dbraw/zinc/01/78/64/1050017864.db2.gz CHFNVKAPGGSXCX-KRWDZBQOSA-N 1 0 370.457 2.936 20 5 FFBDRO CC(C)(NC(=O)c1cccc2c1OCC[NH2+]C2)c1ccc([N+](=O)[O-])cc1 ZINC001341613406 1050241333 /nfs/dbraw/zinc/24/13/33/1050241333.db2.gz UEJLPOWJMWEORQ-UHFFFAOYSA-N 1 0 355.394 2.742 20 5 FFBDRO O=[N+]([O-])c1cc2ccccc2nc1N1CCC([NH2+]C2CCOCC2)CC1 ZINC001340100805 1050506692 /nfs/dbraw/zinc/50/66/92/1050506692.db2.gz HRJOUEMYTWTBOZ-UHFFFAOYSA-N 1 0 356.426 2.880 20 5 FFBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CC2(C1)C[NH+](Cc1ccccc1)C2 ZINC001302378851 1051101632 /nfs/dbraw/zinc/10/16/32/1051101632.db2.gz BFJSFBGTOSHJHG-DHZHZOJOSA-N 1 0 363.417 2.952 20 5 FFBDRO O=[N+]([O-])c1cc(-c2nc([C@H]3C[NH+]4CCC3CC4)no2)ccc1-n1ccnc1 ZINC001342547521 1051150510 /nfs/dbraw/zinc/15/05/10/1051150510.db2.gz YXBGRFQQPXTSFG-AWEZNQCLSA-N 1 0 366.381 2.640 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N3CC[C@@H](CC[NH3+])C3)cc2[N+](=O)[O-])CC1 ZINC001342647154 1051254294 /nfs/dbraw/zinc/25/42/94/1051254294.db2.gz YIXOXXYGYKJWLR-OAHLLOKOSA-N 1 0 360.458 2.642 20 5 FFBDRO Cc1c(CC(=O)N2C[C@@H](C[NH3+])Cc3cc(F)ccc32)cccc1[N+](=O)[O-] ZINC001341004529 1051341722 /nfs/dbraw/zinc/34/17/22/1051341722.db2.gz HQNMZXOSILWGET-CYBMUJFWSA-N 1 0 357.385 2.749 20 5 FFBDRO O=C(c1cccc([N+](=O)[O-])c1)N1C[C@@H](C[C@H]2COCC[NH2+]2)c2ccccc21 ZINC001342875883 1051484871 /nfs/dbraw/zinc/48/48/71/1051484871.db2.gz OXFVDYBTSXVXIW-CVEARBPZSA-N 1 0 367.405 2.717 20 5 FFBDRO CNc1ccc(C(=O)N2CCC([C@H]3CCC[NH2+]CC3)CC2)cc1[N+](=O)[O-] ZINC001345028392 1052206565 /nfs/dbraw/zinc/20/65/65/1052206565.db2.gz ZVKKZZQNWABPLV-AWEZNQCLSA-N 1 0 360.458 2.878 20 5 FFBDRO CS[C@@H]1CN(Cc2c(Br)cccc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC001307653847 1052331212 /nfs/dbraw/zinc/33/12/12/1052331212.db2.gz AZNZSTRQGIMQCZ-UONOGXRCSA-N 1 0 374.304 2.835 20 5 FFBDRO Cc1cccc2[nH]c(C[NH2+][C@H](CO)[C@H](O)c3ccc([N+](=O)[O-])cc3)cc21 ZINC000850139853 1052338485 /nfs/dbraw/zinc/33/84/85/1052338485.db2.gz TZYHJVGTCZRNQV-RTBURBONSA-N 1 0 355.394 2.569 20 5 FFBDRO O=C(NCC[C@@H]1CCC[NH2+]CC1)c1c(Br)cccc1[N+](=O)[O-] ZINC001343676341 1052369252 /nfs/dbraw/zinc/36/92/52/1052369252.db2.gz LBVDTKNQAGDWGA-LLVKDONJSA-N 1 0 370.247 2.867 20 5 FFBDRO COc1ccc(NC(=O)C[NH2+]C2([C@H]3CCCCO3)CCC2)c([N+](=O)[O-])c1 ZINC001308029797 1052387900 /nfs/dbraw/zinc/38/79/00/1052387900.db2.gz VDMIFFLMGIFESZ-MRXNPFEDSA-N 1 0 363.414 2.623 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(c2ncccn2)CC1 ZINC001308093438 1052405235 /nfs/dbraw/zinc/40/52/35/1052405235.db2.gz JKOOKLCEIIUCSS-UHFFFAOYSA-N 1 0 369.425 2.901 20 5 FFBDRO COc1cccc(N2CC[C@@H]([NH2+]Cc3ccc(OC)c([N+](=O)[O-])c3)C2)c1 ZINC001308240528 1052435528 /nfs/dbraw/zinc/43/55/28/1052435528.db2.gz IDVXZAMHHQXHIP-OAHLLOKOSA-N 1 0 357.410 2.981 20 5 FFBDRO COc1ccc(NC(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC001344748461 1052914503 /nfs/dbraw/zinc/91/45/03/1052914503.db2.gz ISOYAHISQSGTQS-OAHLLOKOSA-N 1 0 372.425 2.898 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH+]2CCC(Nc3ccccc3)CC2)c1 ZINC001334934618 1053155951 /nfs/dbraw/zinc/15/59/51/1053155951.db2.gz BDBQKXYQLQVYJN-IBGZPJMESA-N 1 0 371.437 2.911 20 5 FFBDRO CC(C)[NH2+]C1(CO)CCN(c2c3cc(F)ccc3ncc2[N+](=O)[O-])CC1 ZINC001335000270 1053182363 /nfs/dbraw/zinc/18/23/63/1053182363.db2.gz DLMJWNJDNLTMIJ-UHFFFAOYSA-N 1 0 362.405 2.611 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]Cc2cccnc2N2CCCCC2)c1 ZINC001335344890 1053306480 /nfs/dbraw/zinc/30/64/80/1053306480.db2.gz HWFQYNTYSZNYQU-GOSISDBHSA-N 1 0 356.426 2.803 20 5 FFBDRO Cc1cc(N[C@H](C)[C@H]2C[N@H+](C)CCN2C)c(Br)cc1[N+](=O)[O-] ZINC001336725221 1054168515 /nfs/dbraw/zinc/16/85/15/1054168515.db2.gz CYGLARUHTFHICA-IAQYHMDHSA-N 1 0 371.279 2.712 20 5 FFBDRO COc1ccc([C@H]2C[NH2+]CCN2C(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC001337025624 1054419344 /nfs/dbraw/zinc/41/93/44/1054419344.db2.gz ABQVXRYWNWMPGP-GOSISDBHSA-N 1 0 355.394 2.699 20 5 FFBDRO Cn1cncc1C1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1 ZINC001337894827 1055088399 /nfs/dbraw/zinc/08/83/99/1055088399.db2.gz UEWYGRNDBXBAED-UHFFFAOYSA-N 1 0 369.425 2.922 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)C[C@H]2C1 ZINC001352172966 1055242499 /nfs/dbraw/zinc/24/24/99/1055242499.db2.gz YREYWUZUUFUEGV-MGPQQGTHSA-N 1 0 356.426 2.878 20 5 FFBDRO C[N@@H+]1C[C@@]23CN(c4ncnc5ccc([N+](=O)[O-])cc54)C[C@]2(C1)CCCC3 ZINC001338201334 1055316489 /nfs/dbraw/zinc/31/64/89/1055316489.db2.gz UPYPAAIXIGFSCO-KDURUIRLSA-N 1 0 353.426 2.850 20 5 FFBDRO CN(C)C[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC001338447962 1055523119 /nfs/dbraw/zinc/52/31/19/1055523119.db2.gz GDFQTPRJGMYKBX-QGZVFWFLSA-N 1 0 374.416 2.955 20 5 FFBDRO Cc1ccc(CC(=O)Nc2cc(N3CC[NH+](C)CC3)ccc2[N+](=O)[O-])s1 ZINC001349895975 1055527297 /nfs/dbraw/zinc/52/72/97/1055527297.db2.gz HROPVRQODGCESK-UHFFFAOYSA-N 1 0 374.466 2.898 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC001358495221 1056338991 /nfs/dbraw/zinc/33/89/91/1056338991.db2.gz XQFHLIIPJCOIAG-FXAWDEMLSA-N 1 0 367.405 2.889 20 5 FFBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000538096319 1056796051 /nfs/dbraw/zinc/79/60/51/1056796051.db2.gz BLEGVECDXVMQOJ-ZFWWWQNUSA-N 1 0 352.398 2.885 20 5 FFBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000538096313 1056796156 /nfs/dbraw/zinc/79/61/56/1056796156.db2.gz BLEGVECDXVMQOJ-DZGCQCFKSA-N 1 0 352.398 2.885 20 5 FFBDRO C[C@@H](CCNC(=O)c1[nH]nc([N+](=O)[O-])c1Cl)[N@H+](C)Cc1ccccc1 ZINC001545281174 1071756817 /nfs/dbraw/zinc/75/68/17/1071756817.db2.gz LAEUOANFDIZWGP-NSHDSACASA-N 1 0 365.821 2.612 20 5 FFBDRO CS[C@@H]1CN(C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1[NH+](C)C ZINC001447106534 1058597314 /nfs/dbraw/zinc/59/73/14/1058597314.db2.gz QGGRMZQFFBYNOO-HUUCEWRRSA-N 1 0 371.890 2.685 20 5 FFBDRO CC(C)(C(=O)Nc1cccc2c1C[N@@H+](C1CC1)C2)n1cc([N+](=O)[O-])cn1 ZINC001447233526 1058613639 /nfs/dbraw/zinc/61/36/39/1058613639.db2.gz SZTIJJPTGDKMBW-UHFFFAOYSA-N 1 0 355.398 2.643 20 5 FFBDRO CC(C)[N@@H+]1CCC[C@@H](NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC001447426810 1058642119 /nfs/dbraw/zinc/64/21/19/1058642119.db2.gz JBYIYKGJVQYCTI-OAHLLOKOSA-N 1 0 371.441 2.598 20 5 FFBDRO CCC(C)(C)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)CC1 ZINC000848302950 1059668962 /nfs/dbraw/zinc/66/89/62/1059668962.db2.gz QZAXIVWURSENOH-UHFFFAOYSA-N 1 0 364.402 2.758 20 5 FFBDRO CC[N@H+](CCn1c(C)nnc1N(C)CCc1cccc([N+](=O)[O-])c1)C(C)C ZINC001515719065 1059758985 /nfs/dbraw/zinc/75/89/85/1059758985.db2.gz SALHIJHWFBVHNU-UHFFFAOYSA-N 1 0 374.489 2.904 20 5 FFBDRO O=C(NCC[C@@H]1CCC[NH2+]CC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC001515771581 1059789002 /nfs/dbraw/zinc/78/90/02/1059789002.db2.gz COYNWIYYNVCAEJ-LLVKDONJSA-N 1 0 370.247 2.867 20 5 FFBDRO CCCc1n[nH]c(C(=O)NC2CCC(C)([NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC001455885640 1059945914 /nfs/dbraw/zinc/94/59/14/1059945914.db2.gz IXCKZEMTXDFDJW-UHFFFAOYSA-N 1 0 363.462 2.797 20 5 FFBDRO COCC1(C)CC[NH+](CN2CC[C@@H](c3ccc([N+](=O)[O-])cc3)C2=O)CC1 ZINC000848484010 1060123797 /nfs/dbraw/zinc/12/37/97/1060123797.db2.gz VLRUIWCLYAQLBS-KRWDZBQOSA-N 1 0 361.442 2.617 20 5 FFBDRO O=C1[C@H](c2ccc([N+](=O)[O-])cc2)CCN1C[NH+]1CCC2(CCOCC2)CC1 ZINC000848486087 1060131703 /nfs/dbraw/zinc/13/17/03/1060131703.db2.gz BZGLCFGOFRJIPS-SFHVURJKSA-N 1 0 373.453 2.761 20 5 FFBDRO Cn1cc([N+](=O)[O-])c(Nc2ccc(N3CCC(C[NH+](C)C)CC3)cc2)n1 ZINC001458186721 1060536600 /nfs/dbraw/zinc/53/66/00/1060536600.db2.gz DZQCCRCAVVZMRI-UHFFFAOYSA-N 1 0 358.446 2.850 20 5 FFBDRO Cn1cc([N+](=O)[O-])c(N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)n1 ZINC001458239182 1060547745 /nfs/dbraw/zinc/54/77/45/1060547745.db2.gz NCHDSTUFJRADAP-IRXDYDNUSA-N 1 0 355.442 2.819 20 5 FFBDRO CN(C(=O)CCc1c(Cl)cccc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001521508163 1060626890 /nfs/dbraw/zinc/62/68/90/1060626890.db2.gz PQBKUZCPPFPCSE-FUNVUKJBSA-N 1 0 351.834 2.922 20 5 FFBDRO COC(=O)[C@@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@H]1c1ccccc1 ZINC001460371104 1060979837 /nfs/dbraw/zinc/97/98/37/1060979837.db2.gz VSNNUBZNDIHQOJ-RBUKOAKNSA-N 1 0 370.405 2.862 20 5 FFBDRO Cc1cc(S(=O)(=O)NCC[C@H](C)[NH+]2CCCCC2)c(F)cc1[N+](=O)[O-] ZINC001475185821 1060986442 /nfs/dbraw/zinc/98/64/42/1060986442.db2.gz FPBPOPZUFFTMQR-ZDUSSCGKSA-N 1 0 373.450 2.585 20 5 FFBDRO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001460602333 1061027323 /nfs/dbraw/zinc/02/73/23/1061027323.db2.gz AFOQLRRWBKNWFY-XNRPHZJLSA-N 1 0 365.430 2.616 20 5 FFBDRO C[N@@H+](Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C[C@H]1C[C@@H](O)C1 ZINC001460620565 1061033719 /nfs/dbraw/zinc/03/37/19/1061033719.db2.gz MSIIEUYJANDMIE-JGZJWPJOSA-N 1 0 352.778 2.501 20 5 FFBDRO O=C(CCC[NH2+]Cc1c(Br)cccc1[N+](=O)[O-])NC1CC1 ZINC001461171665 1061236336 /nfs/dbraw/zinc/23/63/36/1061236336.db2.gz BSGWNYSZPFMIBR-UHFFFAOYSA-N 1 0 356.220 2.506 20 5 FFBDRO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC001461366957 1061302351 /nfs/dbraw/zinc/30/23/51/1061302351.db2.gz FBGJQEMEAMSXCB-LBPRGKRZSA-N 1 0 353.419 2.854 20 5 FFBDRO CC[N@@H+]1CC[C@H]1CNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC001476520640 1061426601 /nfs/dbraw/zinc/42/66/01/1061426601.db2.gz DDJPHNYNPVRNPM-NSHDSACASA-N 1 0 371.235 2.881 20 5 FFBDRO CCNc1ccc(C(=O)NC2CCN(c3cc[nH+]cc3)CC2)cc1[N+](=O)[O-] ZINC001463389243 1062080562 /nfs/dbraw/zinc/08/05/62/1062080562.db2.gz BTZCCBUGAOKODN-UHFFFAOYSA-N 1 0 369.425 2.820 20 5 FFBDRO [NH3+]C[C@@H]1Cc2cc(F)ccc2N(C(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC001522755924 1062274252 /nfs/dbraw/zinc/27/42/52/1062274252.db2.gz APOBCWUJFKQMQR-ZDUSSCGKSA-N 1 0 373.384 2.667 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC1(C2CC[NH2+]CC2)CC1 ZINC001523493754 1062492570 /nfs/dbraw/zinc/49/25/70/1062492570.db2.gz HFLQJHLNEAFJNR-LLVKDONJSA-N 1 0 367.833 2.664 20 5 FFBDRO O=C(N[C@@H]1c2ccccc2CC[C@H]1[NH+]1CCCC1)c1ccc([N+](=O)[O-])cn1 ZINC001437024628 1062808933 /nfs/dbraw/zinc/80/89/33/1062808933.db2.gz ZNRZIOHZEBXJOE-RTBURBONSA-N 1 0 366.421 2.872 20 5 FFBDRO CC(C)Cn1c([C@H](C)[N+](=O)[O-])nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001524992751 1063086341 /nfs/dbraw/zinc/08/63/41/1063086341.db2.gz DXHPXJFOFMXWSW-HNNXBMFYSA-N 1 0 364.494 2.727 20 5 FFBDRO CCc1nnc(N(C)Cc2ccccc2[N+](=O)[O-])n1CC1([NH+](C)C)CCC1 ZINC001498674847 1063847535 /nfs/dbraw/zinc/84/75/35/1063847535.db2.gz JWBGEFHLQOEYGW-UHFFFAOYSA-N 1 0 372.473 2.869 20 5 FFBDRO CNc1ccc(C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C(C)C)cc1[N+](=O)[O-] ZINC001472329124 1065018391 /nfs/dbraw/zinc/01/83/91/1065018391.db2.gz UGSRWNZUQPOXTF-DOTOQJQBSA-N 1 0 360.458 2.971 20 5 FFBDRO COc1ccc(CNC(=O)[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC001472493493 1065080127 /nfs/dbraw/zinc/08/01/27/1065080127.db2.gz ANLOAFIRXSIQGM-LPHOPBHVSA-N 1 0 369.421 2.913 20 5 FFBDRO O=[N+]([O-])c1ccc2ncc([N+](=O)[O-])c(N3CC[NH+](C4CCC4)CC3)c2c1 ZINC001472694351 1065129430 /nfs/dbraw/zinc/12/94/30/1065129430.db2.gz QBLWNUZDHYQFPO-UHFFFAOYSA-N 1 0 357.370 2.726 20 5 FFBDRO CC(C)Oc1ccc(CNC(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)cc1 ZINC001575806430 1078168960 /nfs/dbraw/zinc/16/89/60/1078168960.db2.gz ILNQLJPHTYLXRV-IBGZPJMESA-N 1 0 357.410 2.872 20 5 FFBDRO Cc1nc(C)c(C[N@@H+]2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)[nH]1 ZINC001473363708 1065248779 /nfs/dbraw/zinc/24/87/79/1065248779.db2.gz DHPWKAOLANCUPN-UHFFFAOYSA-N 1 0 369.429 2.523 20 5 FFBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC001473416819 1065258384 /nfs/dbraw/zinc/25/83/84/1065258384.db2.gz VIOLRXNMFWDQAT-NRFANRHFSA-N 1 0 369.465 2.706 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2noc(C[NH2+]CC3(C4(O)CCC4)CCC3)n2)cc1 ZINC001473786858 1065361580 /nfs/dbraw/zinc/36/15/80/1065361580.db2.gz PDALUECFNMSOEA-UHFFFAOYSA-N 1 0 358.398 2.820 20 5 FFBDRO COc1cc(C[NH2+][C@@](C)(CO)Cc2ccc(F)cc2)c([N+](=O)[O-])cc1F ZINC001473840324 1065386636 /nfs/dbraw/zinc/38/66/36/1065386636.db2.gz VRRATMJKJIHGTO-GOSISDBHSA-N 1 0 366.364 2.965 20 5 FFBDRO COc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(c3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC001474025256 1065441407 /nfs/dbraw/zinc/44/14/07/1065441407.db2.gz YPBWYYBJUIACGU-CZUORRHYSA-N 1 0 355.394 2.887 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC001576282710 1078212426 /nfs/dbraw/zinc/21/24/26/1078212426.db2.gz GWVCISUGGLJDMD-AAEUAGOBSA-N 1 0 355.822 2.745 20 5 FFBDRO Cc1ccc(C2CC([NH2+][C@H](CO)[C@H](O)c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC001474700403 1065585506 /nfs/dbraw/zinc/58/55/06/1065585506.db2.gz WJRGBNQLCMNXGK-OTGCGEFBSA-N 1 0 356.422 2.833 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC001474824867 1065618179 /nfs/dbraw/zinc/61/81/79/1065618179.db2.gz MARMLBCCIYNYDM-MRXNPFEDSA-N 1 0 369.487 2.692 20 5 FFBDRO CCN(C(=O)c1cccc([N+](=O)[O-])c1Br)[C@H]1CCC[NH2+]C1 ZINC001577646080 1078384760 /nfs/dbraw/zinc/38/47/60/1078384760.db2.gz GULPGFFBNBEQPK-JTQLQIEISA-N 1 0 356.220 2.571 20 5 FFBDRO CCc1cc(NC(=O)c2ccc(C[NH3+])cc2)c2cc([N+](=O)[O-])ccc2n1 ZINC001578249225 1078455361 /nfs/dbraw/zinc/45/53/61/1078455361.db2.gz UWAOVDVGVFPQIP-UHFFFAOYSA-N 1 0 350.378 2.838 20 5 FFBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C1(C(F)(F)F)CC[NH2+]CC1 ZINC001578478431 1078478944 /nfs/dbraw/zinc/47/89/44/1078478944.db2.gz GLAPDTCXLBXHDX-UHFFFAOYSA-N 1 0 359.348 2.528 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC001579180367 1078581561 /nfs/dbraw/zinc/58/15/61/1078581561.db2.gz NHDCKSKMXJSDPG-LSDHHAIUSA-N 1 0 374.372 2.701 20 5 FFBDRO COc1ccc(OCCN2CC[C@H](C[NH3+])c3ccccc32)c([N+](=O)[O-])c1 ZINC001579233057 1078595410 /nfs/dbraw/zinc/59/54/10/1078595410.db2.gz CDOIBACXGHVYLI-CQSZACIVSA-N 1 0 357.410 2.935 20 5 FFBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@@H]1C[NH2+]C[C@H]1Cc1ccccc1)CC2 ZINC001579643683 1078653368 /nfs/dbraw/zinc/65/33/68/1078653368.db2.gz SUTLTACPNUMEKL-QZTJIDSGSA-N 1 0 365.433 2.871 20 5 FFBDRO O=C(c1cc(C(F)(F)F)ccc1[N+](=O)[O-])N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001580811296 1078869125 /nfs/dbraw/zinc/86/91/25/1078869125.db2.gz ONMBHFXXPQIMFO-HNNXBMFYSA-N 1 0 357.332 2.829 20 5 FFBDRO C[N@@H+]1C[C@@H](NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])C(C)(C)C1 ZINC001558504667 1076020180 /nfs/dbraw/zinc/02/01/80/1076020180.db2.gz SYZMVPBLMWIWBZ-OAHLLOKOSA-N 1 0 354.410 2.727 20 5 FFBDRO C[C@H]1C[N@@H+](C2CC2)CCN1C(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC001558998944 1076112356 /nfs/dbraw/zinc/11/23/56/1076112356.db2.gz VMPMZXZZPMSJMB-LBPRGKRZSA-N 1 0 351.834 2.876 20 5 FFBDRO O=[N+]([O-])c1ccc2ncc([N+](=O)[O-])c(NC[C@H]3CC[N@@H+]3C3CCCC3)c2c1 ZINC001559252111 1076139734 /nfs/dbraw/zinc/13/97/34/1076139734.db2.gz TXJZCXHRMLULFD-CQSZACIVSA-N 1 0 371.397 2.902 20 5 FFBDRO COCCN(CC1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])c(OC(C)C)n1 ZINC001559253682 1076139839 /nfs/dbraw/zinc/13/98/39/1076139839.db2.gz IAHODMAALHQCAA-UHFFFAOYSA-N 1 0 366.462 2.572 20 5 FFBDRO CCc1cc(N2CC[N@@H+]3C[C@@H](F)C[C@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001559295841 1076147294 /nfs/dbraw/zinc/14/72/94/1076147294.db2.gz PSIPTZBEXKYWBB-YOEHRIQHSA-N 1 0 371.416 2.847 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@@H]1c1ncccn1 ZINC001560014324 1076213423 /nfs/dbraw/zinc/21/34/23/1076213423.db2.gz PIJKDYVFKUHQJK-OAHLLOKOSA-N 1 0 371.397 2.559 20 5 FFBDRO Cc1cccc(C[C@@]2(C)CCC[N@@H+]2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC001560040537 1076216538 /nfs/dbraw/zinc/21/65/38/1076216538.db2.gz SXXRILBUSUTIAY-RBUKOAKNSA-N 1 0 358.442 2.558 20 5 FFBDRO O=C(C[NH2+][C@@H](CCO)C1CCCC1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC001560176390 1076242035 /nfs/dbraw/zinc/24/20/35/1076242035.db2.gz XCRATHUEHFOBPP-ZDUSSCGKSA-N 1 0 355.822 2.718 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+][C@H](C)CCc2ccco2)cc1[N+](=O)[O-] ZINC001560249751 1076256353 /nfs/dbraw/zinc/25/63/53/1076256353.db2.gz GGWSRXXBWIURIB-CYBMUJFWSA-N 1 0 362.382 2.851 20 5 FFBDRO Cc1cccc(CN2CCO[C@@H](C[NH2+]Cc3cccc([N+](=O)[O-])c3)C2)c1 ZINC001560561632 1076280261 /nfs/dbraw/zinc/28/02/61/1076280261.db2.gz UTJVEBVIVKIOEX-FQEVSTJZSA-N 1 0 355.438 2.894 20 5 FFBDRO CC[C@H](NC(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-])C1CC1 ZINC001563310110 1076540903 /nfs/dbraw/zinc/54/09/03/1076540903.db2.gz LPBBAWQLCVDHGN-HNNXBMFYSA-N 1 0 361.446 2.657 20 5 FFBDRO O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001565781351 1076764983 /nfs/dbraw/zinc/76/49/83/1076764983.db2.gz OZJVJGMKNWCXSN-CQSZACIVSA-N 1 0 351.834 2.878 20 5 FFBDRO CN(CCC[N@H+](C)Cc1cc2ccccc2s1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001570197017 1077189060 /nfs/dbraw/zinc/18/90/60/1077189060.db2.gz UPZZSZOFJATMEP-HZPDHXFCSA-N 1 0 361.467 2.847 20 5 FFBDRO C[NH+]1C[C@@]2(C)CN(C(=O)Cc3ccc(Cl)c([N+](=O)[O-])c3)C[C@]2(C)C1 ZINC001586218494 1079576165 /nfs/dbraw/zinc/57/61/65/1079576165.db2.gz FNFFTRVICSESOE-IRXDYDNUSA-N 1 0 351.834 2.591 20 5 FFBDRO C[C@@]12CN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C[C@@]1(C)C[NH+](Cc1ccccc1)C2 ZINC001586472427 1079635000 /nfs/dbraw/zinc/63/50/00/1079635000.db2.gz YJRFLYRCCTZZIH-WOJBJXKFSA-N 1 0 368.437 2.907 20 5 FFBDRO CC1([NH+]2CCC2)CCC(Nc2cccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 ZINC001590141715 1081047022 /nfs/dbraw/zinc/04/70/22/1081047022.db2.gz LKGRLGBBOXWSPW-UHFFFAOYSA-N 1 0 357.418 2.594 20 5 FFBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC001590188078 1081076978 /nfs/dbraw/zinc/07/69/78/1081076978.db2.gz PRDVKQCJBVROLQ-UPJWGTAASA-N 1 0 359.434 2.553 20 5 FFBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC001590227454 1081108609 /nfs/dbraw/zinc/10/86/09/1081108609.db2.gz OZFFPCNJZRFHMY-UMVBOHGHSA-N 1 0 371.445 2.617 20 5 FFBDRO C[C@@H]1CCC[N@H+](CCCCNc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C1 ZINC001590259595 1081128655 /nfs/dbraw/zinc/12/86/55/1081128655.db2.gz LJFADHBLXFYPRM-CYBMUJFWSA-N 1 0 359.434 2.699 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000072718087 249775555 /nfs/dbraw/zinc/77/55/55/249775555.db2.gz OHURNQGWNAWHLG-MRXNPFEDSA-N 1 0 360.458 2.650 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000093910508 250050280 /nfs/dbraw/zinc/05/02/80/250050280.db2.gz HQSIOKXVZBKDGY-GJZGRUSLSA-N 1 0 363.458 2.749 20 5 FFBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000153335012 251126111 /nfs/dbraw/zinc/12/61/11/251126111.db2.gz MUWAPVRAXUHACS-RDJZCZTQSA-N 1 0 373.453 2.839 20 5 FFBDRO C[C@]([NH3+])(C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 ZINC000192495356 251279145 /nfs/dbraw/zinc/27/91/45/251279145.db2.gz YJHVNSAXYVJPIX-HXUWFJFHSA-N 1 0 369.421 2.839 20 5 FFBDRO C[NH+](C)[C@@H]1CCCN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000272334577 252013071 /nfs/dbraw/zinc/01/30/71/252013071.db2.gz ATZUUSFIVYZBSM-CQSZACIVSA-N 1 0 354.838 2.526 20 5 FFBDRO Cn1ccnc1[C@@H](N[C@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000272564010 252069314 /nfs/dbraw/zinc/06/93/14/252069314.db2.gz UQNWXNLBPVUSOZ-JQHSSLGASA-N 1 0 357.458 2.880 20 5 FFBDRO Cn1ccnc1[C@H](N[C@@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000272564015 252069866 /nfs/dbraw/zinc/06/98/66/252069866.db2.gz UQNWXNLBPVUSOZ-KBAYOESNSA-N 1 0 357.458 2.880 20 5 FFBDRO C[C@@H](NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])C1=CC[N@H+](C)CC1 ZINC000272707801 252107786 /nfs/dbraw/zinc/10/77/86/252107786.db2.gz HAQDGCZGTKSPMD-GFCCVEGCSA-N 1 0 366.849 2.740 20 5 FFBDRO C[C@H](CN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)C[NH+]1CCCC1 ZINC000272576362 252072770 /nfs/dbraw/zinc/07/27/70/252072770.db2.gz XDSOHUJGQHEPIJ-QAPCUYQASA-N 1 0 357.458 2.739 20 5 FFBDRO COc1ccc(NC(=O)NCc2ccnc(N3CCCC3)c2)cc1[N+](=O)[O-] ZINC000272801233 252134767 /nfs/dbraw/zinc/13/47/67/252134767.db2.gz HSFVFDZQIKMPQC-UHFFFAOYSA-N 1 0 371.397 2.920 20 5 FFBDRO C[C@@H]([NH2+][C@H]1CCCN(Cc2ccccn2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000273178064 252241876 /nfs/dbraw/zinc/24/18/76/252241876.db2.gz DLWNUCZZWYQAFG-KDOFPFPSSA-N 1 0 354.410 2.832 20 5 FFBDRO COCC[C@@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(C)o1 ZINC000273227171 252257990 /nfs/dbraw/zinc/25/79/90/252257990.db2.gz BXUBYTXIVRVJBD-LSDHHAIUSA-N 1 0 364.398 2.603 20 5 FFBDRO CS[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C[C@@H]1[NH+]1CCCC1 ZINC000275825018 256051759 /nfs/dbraw/zinc/05/17/59/256051759.db2.gz RQXQJBVESNWDSI-GJZGRUSLSA-N 1 0 368.434 2.777 20 5 FFBDRO C[C@@H](CCNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)[NH+]1CCCCC1 ZINC000276348947 256091908 /nfs/dbraw/zinc/09/19/08/256091908.db2.gz UCEQAODKPLLEQG-ZDUSSCGKSA-N 1 0 355.460 2.675 20 5 FFBDRO Cc1cc(C)c(S(=O)(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000277051944 256156646 /nfs/dbraw/zinc/15/66/46/256156646.db2.gz LYFMXYJYDWDNJB-AWEZNQCLSA-N 1 0 369.487 2.562 20 5 FFBDRO CCC[N@H+](C)[C@@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000285767826 257003535 /nfs/dbraw/zinc/00/35/35/257003535.db2.gz AASSRKZJTBVYLQ-ZDUSSCGKSA-N 1 0 365.821 2.784 20 5 FFBDRO CCN1CC[NH+](C[C@@H](C)CNc2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000277212455 256172692 /nfs/dbraw/zinc/17/26/92/256172692.db2.gz ZBCWQFYUVKKAPD-HNNXBMFYSA-N 1 0 357.458 2.829 20 5 FFBDRO Cc1cc(N2CCC[C@H]([NH2+]C/C=C/c3ccccc3[N+](=O)[O-])C2)n(C)n1 ZINC000277803386 256241616 /nfs/dbraw/zinc/24/16/16/256241616.db2.gz XUBMYHWSPBYRFD-JZLODUJNSA-N 1 0 355.442 2.909 20 5 FFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCN(c2ccnn2C)C1 ZINC000278163040 256283279 /nfs/dbraw/zinc/28/32/79/256283279.db2.gz APMNYIHHMIEFLJ-DOTOQJQBSA-N 1 0 357.458 2.908 20 5 FFBDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000278365686 256304740 /nfs/dbraw/zinc/30/47/40/256304740.db2.gz FUSMTUZQBDMXCC-ZDUSSCGKSA-N 1 0 373.409 2.666 20 5 FFBDRO O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CC[NH+](CC2CCOCC2)CC1 ZINC000278423630 256310976 /nfs/dbraw/zinc/31/09/76/256310976.db2.gz OYEHFJPMCXNQLQ-UHFFFAOYSA-N 1 0 374.363 2.557 20 5 FFBDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000278322106 256299803 /nfs/dbraw/zinc/29/98/03/256299803.db2.gz AIDRXABLIJKQFZ-GFCCVEGCSA-N 1 0 367.833 2.574 20 5 FFBDRO CN(C)c1cc(F)c(C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000279185924 256390994 /nfs/dbraw/zinc/39/09/94/256390994.db2.gz IXBXFFUAURVQPV-CYBMUJFWSA-N 1 0 364.421 2.500 20 5 FFBDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000279215378 256394159 /nfs/dbraw/zinc/39/41/59/256394159.db2.gz OLXHLXXYTSGEGX-LBPRGKRZSA-N 1 0 367.833 2.574 20 5 FFBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000279266029 256399668 /nfs/dbraw/zinc/39/96/68/256399668.db2.gz JUXOWPVNCDRGDZ-IINYFYTJSA-N 1 0 357.813 2.728 20 5 FFBDRO COc1cc(C(=O)N(CCC[NH3+])Cc2ccccc2)cc([N+](=O)[O-])c1OC ZINC000280235381 256494824 /nfs/dbraw/zinc/49/48/24/256494824.db2.gz VNOAGWPLWUINMM-UHFFFAOYSA-N 1 0 373.409 2.603 20 5 FFBDRO Cc1cc(OCC(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000281215277 256616238 /nfs/dbraw/zinc/61/62/38/256616238.db2.gz BXCPCCVMBKVHIM-MRXNPFEDSA-N 1 0 361.442 2.616 20 5 FFBDRO CC(=O)c1cc(NCc2ccc(N3CC[NH+](C)CC3)nc2)ccc1[N+](=O)[O-] ZINC000286140858 257022235 /nfs/dbraw/zinc/02/22/35/257022235.db2.gz NLNNQYKQZFPLJL-UHFFFAOYSA-N 1 0 369.425 2.556 20 5 FFBDRO O=c1[nH]c(N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)nc2ccc([N+](=O)[O-])cc21 ZINC000286290901 257029667 /nfs/dbraw/zinc/02/96/67/257029667.db2.gz RXPLBPGCTVARNC-SJKOYZFVSA-N 1 0 369.425 2.697 20 5 FFBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1c1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000286473012 257038778 /nfs/dbraw/zinc/03/87/78/257038778.db2.gz VZVWVDZZNZZCTD-DOTOQJQBSA-N 1 0 372.469 2.894 20 5 FFBDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@@H+]2CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000286597346 257044928 /nfs/dbraw/zinc/04/49/28/257044928.db2.gz QWENXVPZSBEMTG-JCNUMZABSA-N 1 0 359.426 2.587 20 5 FFBDRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)c2ccc([N+](=O)[O-])o2)c1 ZINC000287348135 257084495 /nfs/dbraw/zinc/08/44/95/257084495.db2.gz WETQUNOSWHCSGA-UHFFFAOYSA-N 1 0 360.370 2.720 20 5 FFBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000288494312 257196119 /nfs/dbraw/zinc/19/61/19/257196119.db2.gz RSSMKLISTWWWCR-SWLSCSKDSA-N 1 0 353.369 2.772 20 5 FFBDRO O=C(CC[N@@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1)Nc1ccccc1[N+](=O)[O-] ZINC000289419094 257280011 /nfs/dbraw/zinc/28/00/11/257280011.db2.gz BSYLRKKCMAFFKJ-SJLPKXTDSA-N 1 0 359.426 2.957 20 5 FFBDRO O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000289160223 257261506 /nfs/dbraw/zinc/26/15/06/257261506.db2.gz GYPJBLPTMIAAOT-HNNXBMFYSA-N 1 0 357.332 2.829 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC=C(c2cccnc2)C1 ZINC000289267229 257270655 /nfs/dbraw/zinc/27/06/55/257270655.db2.gz DPLLVJQHAWRFNC-QGZVFWFLSA-N 1 0 355.394 2.519 20 5 FFBDRO Cc1ccc([C@@H](C)[NH2+]C[C@](C)(O)CNC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000289661476 257292742 /nfs/dbraw/zinc/29/27/42/257292742.db2.gz XYNLPGFVSHXGSL-ACJLOTCBSA-N 1 0 367.446 2.830 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2C)[C@@H](C)C1 ZINC000289875171 257303915 /nfs/dbraw/zinc/30/39/15/257303915.db2.gz NYSWEUUKDGENEO-BBRMVZONSA-N 1 0 358.446 2.557 20 5 FFBDRO Cn1cc(C[N@@H+]2CC[C@H](n3cccn3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000291351701 257399463 /nfs/dbraw/zinc/39/94/63/257399463.db2.gz XGOGSPKMRNAGCR-KRWDZBQOSA-N 1 0 352.398 2.639 20 5 FFBDRO O=[N+]([O-])c1cnc(N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)nc1 ZINC000292689554 257511626 /nfs/dbraw/zinc/51/16/26/257511626.db2.gz JHYODSUIWGMOCU-UHFFFAOYSA-N 1 0 353.426 2.877 20 5 FFBDRO CC(C)[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1(CO)CCC1 ZINC000292998650 257526594 /nfs/dbraw/zinc/52/65/94/257526594.db2.gz IVTNHBJFBIXTRT-MRXNPFEDSA-N 1 0 369.849 2.964 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCC(CO)(c3ccccc3)CC2)c1 ZINC000293479924 257548206 /nfs/dbraw/zinc/54/82/06/257548206.db2.gz YBVFFEYWQHLFFG-LJQANCHMSA-N 1 0 356.422 2.654 20 5 FFBDRO CC[C@H]([NH2+]CC1(OCCOC)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000296288623 257691186 /nfs/dbraw/zinc/69/11/86/257691186.db2.gz FILMWPOIIVQOOE-KRWDZBQOSA-N 1 0 352.431 2.848 20 5 FFBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000301108008 258026409 /nfs/dbraw/zinc/02/64/09/258026409.db2.gz NEXABIYUCIFOCJ-UHFFFAOYSA-N 1 0 368.437 2.667 20 5 FFBDRO C[C@@H]1CCC[N@H+](CCNc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C1 ZINC000301116403 258026680 /nfs/dbraw/zinc/02/66/80/258026680.db2.gz PVVIZTYSMWCOHV-OAHLLOKOSA-N 1 0 360.458 2.975 20 5 FFBDRO COC[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)c1ccccc1 ZINC000299728912 258021490 /nfs/dbraw/zinc/02/14/90/258021490.db2.gz VZKDCTQAQYCBBK-QGZVFWFLSA-N 1 0 373.409 2.909 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1N1CCN(Cc3cccc(O)c3)CC1)CCN2 ZINC000302401859 258100656 /nfs/dbraw/zinc/10/06/56/258100656.db2.gz FBYYMEMXQWKGLF-UHFFFAOYSA-N 1 0 354.410 2.591 20 5 FFBDRO Cc1cc(Nc2ncc([N+](=O)[O-])c(N)n2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000302712991 258108563 /nfs/dbraw/zinc/10/85/63/258108563.db2.gz LIVULAAXUVEVLK-UHFFFAOYSA-N 1 0 371.445 2.549 20 5 FFBDRO COC(=O)c1cnc(N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000302759781 258109973 /nfs/dbraw/zinc/10/99/73/258109973.db2.gz JVBCLTNEWWLPIJ-MRXNPFEDSA-N 1 0 370.409 2.853 20 5 FFBDRO Cc1cc(NCCN2CC[NH+](Cc3ccccc3)CC2)ncc1[N+](=O)[O-] ZINC000301413712 258048356 /nfs/dbraw/zinc/04/83/56/258048356.db2.gz DAHOJNGDVSSAHL-UHFFFAOYSA-N 1 0 355.442 2.528 20 5 FFBDRO Cn1ccnc1C(=O)c1ccc(N[C@H]2CCC[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000301506428 258053094 /nfs/dbraw/zinc/05/30/94/258053094.db2.gz CWJCUXYVKGSNAV-LSDHHAIUSA-N 1 0 371.441 2.844 20 5 FFBDRO CC1CC[NH+](C[C@H](O)CNc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000301573240 258056691 /nfs/dbraw/zinc/05/66/91/258056691.db2.gz YYBIUCLYIVFTHM-CYBMUJFWSA-N 1 0 372.263 2.862 20 5 FFBDRO CS(=O)(=O)c1cccc(N[C@@H]2CC[N@H+](CC3CCCC3)C2)c1[N+](=O)[O-] ZINC000301866932 258071504 /nfs/dbraw/zinc/07/15/04/258071504.db2.gz GDUFMSDBQBRAQW-CQSZACIVSA-N 1 0 367.471 2.675 20 5 FFBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C1 ZINC000301883663 258072513 /nfs/dbraw/zinc/07/25/13/258072513.db2.gz LEINFLFTARUVAS-ZIAGYGMSSA-N 1 0 369.487 2.778 20 5 FFBDRO C[NH+](C)CC1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000331158608 258178558 /nfs/dbraw/zinc/17/85/58/258178558.db2.gz FDINYLYPVCNLRQ-UHFFFAOYSA-N 1 0 370.247 2.771 20 5 FFBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000331973202 258208295 /nfs/dbraw/zinc/20/82/95/258208295.db2.gz SROKMVAHTWEEME-MRXNPFEDSA-N 1 0 360.458 2.799 20 5 FFBDRO CS[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@H]1[NH+]1CCCC1 ZINC000332071457 258212845 /nfs/dbraw/zinc/21/28/45/258212845.db2.gz CIQDZRTUEVQHLS-CABCVRRESA-N 1 0 369.874 2.900 20 5 FFBDRO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000332238932 258220745 /nfs/dbraw/zinc/22/07/45/258220745.db2.gz OOBSNOVTJSRJRT-JKOKRWQUSA-N 1 0 355.232 2.950 20 5 FFBDRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000332248825 258220999 /nfs/dbraw/zinc/22/09/99/258220999.db2.gz BUDPSXYMUQWPIL-IYBDPMFKSA-N 1 0 364.465 2.724 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000332376384 258227792 /nfs/dbraw/zinc/22/77/92/258227792.db2.gz DMYHZUNTEYFCHK-ZWOKBUDYSA-N 1 0 360.502 2.922 20 5 FFBDRO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000332465399 258231427 /nfs/dbraw/zinc/23/14/27/258231427.db2.gz ISJOMPUJCRECGY-GXTWGEPZSA-N 1 0 366.849 2.745 20 5 FFBDRO Cc1ccc(S(=O)(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000064965210 506246195 /nfs/dbraw/zinc/24/61/95/506246195.db2.gz MPDNDDHQPGPPLQ-ZDUSSCGKSA-N 1 0 369.487 2.692 20 5 FFBDRO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)Cn3ccc([N+](=O)[O-])n3)cc2)C1 ZINC000053191144 506330998 /nfs/dbraw/zinc/33/09/98/506330998.db2.gz BLDOQYVQWJCUPD-AWEZNQCLSA-N 1 0 357.414 2.662 20 5 FFBDRO Cn1ccnc1[C@@H]1CCC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000377262654 512190559 /nfs/dbraw/zinc/19/05/59/512190559.db2.gz QGMFMQPBXYAPGZ-CQSZACIVSA-N 1 0 368.397 2.758 20 5 FFBDRO CC[NH+](CC)Cc1ccc(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)o1 ZINC000041834755 506556645 /nfs/dbraw/zinc/55/66/45/506556645.db2.gz JTNFQYVQFMINRM-UHFFFAOYSA-N 1 0 360.414 2.872 20 5 FFBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000054647816 506593957 /nfs/dbraw/zinc/59/39/57/506593957.db2.gz ZBAMNDJHNYFUAN-UHFFFAOYSA-N 1 0 360.458 2.797 20 5 FFBDRO CC1CCN(c2ccc(C(=O)NCC[N@H+](C)C3CC3)cc2[N+](=O)[O-])CC1 ZINC000066924707 506696369 /nfs/dbraw/zinc/69/63/69/506696369.db2.gz KLBGXWAPTMSGAI-UHFFFAOYSA-N 1 0 360.458 2.655 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000043149466 506709357 /nfs/dbraw/zinc/70/93/57/506709357.db2.gz DHUKRCGCIJMSRR-OKILXGFUSA-N 1 0 350.419 2.524 20 5 FFBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000055402220 506742803 /nfs/dbraw/zinc/74/28/03/506742803.db2.gz XWTVORWYCAUNKQ-LSDHHAIUSA-N 1 0 371.441 2.631 20 5 FFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CNC(=O)C1 ZINC000367027750 512302558 /nfs/dbraw/zinc/30/25/58/512302558.db2.gz GURUJLDDOZSQFH-WMLDXEAASA-N 1 0 361.442 2.873 20 5 FFBDRO CCCCNC(=O)C1CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000055902424 506879642 /nfs/dbraw/zinc/87/96/42/506879642.db2.gz COPKSNXBLYROOG-UHFFFAOYSA-N 1 0 363.458 2.992 20 5 FFBDRO NC(=O)c1ccc(CN2CCC(C[NH+]3CCCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000045807025 507025410 /nfs/dbraw/zinc/02/54/10/507025410.db2.gz LVVMZLWQOPHJSJ-UHFFFAOYSA-N 1 0 374.485 2.782 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000056519607 507035226 /nfs/dbraw/zinc/03/52/26/507035226.db2.gz ZNYXUAWRUPAZGT-CHWSQXEVSA-N 1 0 350.419 2.845 20 5 FFBDRO O=C(C1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1)N1CCCCC1 ZINC000046055708 507069413 /nfs/dbraw/zinc/06/94/13/507069413.db2.gz VEUGKXJXGQGKMV-UHFFFAOYSA-N 1 0 361.442 2.698 20 5 FFBDRO O=C(NCC[N@@H+]1CCc2ccccc2C1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000056681112 507069691 /nfs/dbraw/zinc/06/96/91/507069691.db2.gz IJOWVFIKZYNQLA-UHFFFAOYSA-N 1 0 364.405 2.864 20 5 FFBDRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000068085441 507104945 /nfs/dbraw/zinc/10/49/45/507104945.db2.gz OXWAEQIICRSNFG-KBPBESRZSA-N 1 0 373.457 2.959 20 5 FFBDRO O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000068133304 507123648 /nfs/dbraw/zinc/12/36/48/507123648.db2.gz DSQKCHLYYHXZCE-AWEZNQCLSA-N 1 0 362.386 2.594 20 5 FFBDRO C[C@H](CNC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000068195858 507143980 /nfs/dbraw/zinc/14/39/80/507143980.db2.gz VDDVPDOWMFPUOC-GHMZBOCLSA-N 1 0 355.822 2.614 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000373444373 512334975 /nfs/dbraw/zinc/33/49/75/512334975.db2.gz VVOBICGTSHSBLY-HDICACEKSA-N 1 0 351.406 2.799 20 5 FFBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000069045074 507389699 /nfs/dbraw/zinc/38/96/99/507389699.db2.gz GQVFQIRSHVJVGU-AWEZNQCLSA-N 1 0 351.472 2.924 20 5 FFBDRO O=C(COc1ccccc1[N+](=O)[O-])NCc1ccccc1C[NH+]1CCCC1 ZINC000024189692 507397232 /nfs/dbraw/zinc/39/72/32/507397232.db2.gz HRNWROGHMVSBGX-UHFFFAOYSA-N 1 0 369.421 2.886 20 5 FFBDRO CCN(CC)C(=O)C1CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000058524201 507432030 /nfs/dbraw/zinc/43/20/30/507432030.db2.gz DBVMHLQMCHEUAT-UHFFFAOYSA-N 1 0 363.458 2.944 20 5 FFBDRO Cc1cccc(N2CC[NH+](CCCNc3ncccc3[N+](=O)[O-])CC2)c1 ZINC000025579009 507513384 /nfs/dbraw/zinc/51/33/84/507513384.db2.gz PWZBGOMOZRYEJJ-UHFFFAOYSA-N 1 0 355.442 2.922 20 5 FFBDRO C[C@H](CNc1ccc(C(N)=O)cc1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000026729824 507605689 /nfs/dbraw/zinc/60/56/89/507605689.db2.gz XHEPSXYRCZCZDP-CYBMUJFWSA-N 1 0 354.410 2.552 20 5 FFBDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000070871118 507650054 /nfs/dbraw/zinc/65/00/54/507650054.db2.gz IAXDZNAWULRTCP-CYBMUJFWSA-N 1 0 365.430 2.606 20 5 FFBDRO O=C(NCCC[NH+]1CCCCCC1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000063464792 507733901 /nfs/dbraw/zinc/73/39/01/507733901.db2.gz OAIUOEVTRJBTMC-UHFFFAOYSA-N 1 0 371.441 2.776 20 5 FFBDRO C[NH+](C)Cc1ccccc1CNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000063653596 507756108 /nfs/dbraw/zinc/75/61/08/507756108.db2.gz WBBNAJSEZYRKTO-UHFFFAOYSA-N 1 0 357.410 2.742 20 5 FFBDRO CC[N@@H+]1CCC[C@H](NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000051377121 507765287 /nfs/dbraw/zinc/76/52/87/507765287.db2.gz IWRAMYLFKQUGGL-ZDUSSCGKSA-N 1 0 360.439 2.932 20 5 FFBDRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000051380780 507766433 /nfs/dbraw/zinc/76/64/33/507766433.db2.gz JWDVMLKHTGLNLA-LBPRGKRZSA-N 1 0 358.423 2.685 20 5 FFBDRO C[C@H]1c2ccccc2CCN1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000106862612 507824203 /nfs/dbraw/zinc/82/42/03/507824203.db2.gz ALTKBNXBCOBLIR-LBPRGKRZSA-N 1 0 369.377 2.881 20 5 FFBDRO COc1ccc(C(=O)NCC[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000089514232 507844193 /nfs/dbraw/zinc/84/41/93/507844193.db2.gz LTIZSKFHAREFPP-CQSZACIVSA-N 1 0 357.410 2.992 20 5 FFBDRO CCOc1ccc([C@H](C)[NH2+]CCc2cccc(C(N)=O)c2)cc1[N+](=O)[O-] ZINC000089545828 507846543 /nfs/dbraw/zinc/84/65/43/507846543.db2.gz JFDXFUBOWODWNR-ZDUSSCGKSA-N 1 0 357.410 2.986 20 5 FFBDRO CN(CC[C@H]1CCCC[N@@H+]1C)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000072758951 507849921 /nfs/dbraw/zinc/84/99/21/507849921.db2.gz ROSABGVFFJKBRH-CRAIPNDOSA-N 1 0 360.458 2.506 20 5 FFBDRO CCCc1n[nH]c(C(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000078593158 507886574 /nfs/dbraw/zinc/88/65/74/507886574.db2.gz LVUTWWIIMGDNKW-OAHLLOKOSA-N 1 0 365.478 2.757 20 5 FFBDRO CC[C@@H](NC(=O)Nc1ccn(CC[NH+](C)C)n1)c1cccc([N+](=O)[O-])c1 ZINC000078621220 507890569 /nfs/dbraw/zinc/89/05/69/507890569.db2.gz RIALJJWFFLEHHA-OAHLLOKOSA-N 1 0 360.418 2.626 20 5 FFBDRO C[C@H](CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)C[NH+]1CCCCC1 ZINC000108695625 507912268 /nfs/dbraw/zinc/91/22/68/507912268.db2.gz JCIQBPJHMPPIAH-OAHLLOKOSA-N 1 0 371.441 2.632 20 5 FFBDRO CC(C)[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000090519227 507925316 /nfs/dbraw/zinc/92/53/16/507925316.db2.gz JGWBYNMFYPHNPC-UHFFFAOYSA-N 1 0 360.370 2.575 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](CCCO)CC(C)(C)C ZINC000109747814 507984258 /nfs/dbraw/zinc/98/42/58/507984258.db2.gz PMTLTLYTWSIYPT-UHFFFAOYSA-N 1 0 351.447 2.962 20 5 FFBDRO CCCC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000109852442 507992189 /nfs/dbraw/zinc/99/21/89/507992189.db2.gz LTURZQSVKMNCCK-OAHLLOKOSA-N 1 0 355.460 2.528 20 5 FFBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@H](c3nncn3C3CC3)C2)cc1 ZINC000091629122 507997898 /nfs/dbraw/zinc/99/78/98/507997898.db2.gz XVIMBUMUGGURQE-AWEZNQCLSA-N 1 0 357.414 2.780 20 5 FFBDRO CC(C)[NH+](CCCNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)C(C)C ZINC000074334646 508013543 /nfs/dbraw/zinc/01/35/43/508013543.db2.gz RPKBBJLRIOVABW-UHFFFAOYSA-N 1 0 374.441 2.675 20 5 FFBDRO CC(C)c1ccc(C[N@H+](C)C2CCN(S(C)(=O)=O)CC2)cc1[N+](=O)[O-] ZINC000091963886 508028517 /nfs/dbraw/zinc/02/85/17/508028517.db2.gz HAVSWLGEGVWOQH-UHFFFAOYSA-N 1 0 369.487 2.574 20 5 FFBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000074763988 508053213 /nfs/dbraw/zinc/05/32/13/508053213.db2.gz LBKXFQIZPZECRR-KRWDZBQOSA-N 1 0 360.458 2.797 20 5 FFBDRO CCOC(=O)CC[N@H+](Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000092532078 508079884 /nfs/dbraw/zinc/07/98/84/508079884.db2.gz DCEJAAPUTYHKOO-UHFFFAOYSA-N 1 0 372.425 2.913 20 5 FFBDRO CC[NH+](CC)CCOC1CCN(c2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000075063779 508080581 /nfs/dbraw/zinc/08/05/81/508080581.db2.gz ZQFWHEJIBMKMAJ-UHFFFAOYSA-N 1 0 367.475 2.631 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCCCCC[NH+]2CCCCC2)cc1 ZINC000111357571 508093452 /nfs/dbraw/zinc/09/34/52/508093452.db2.gz QGOIDRBCRGGQSP-UHFFFAOYSA-N 1 0 355.460 2.529 20 5 FFBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000080708013 508096223 /nfs/dbraw/zinc/09/62/23/508096223.db2.gz KHQFQYLKAUKBHJ-INIZCTEOSA-N 1 0 360.458 2.511 20 5 FFBDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000081122697 508139908 /nfs/dbraw/zinc/13/99/08/508139908.db2.gz FTMSLEFOMZOKEP-SFHVURJKSA-N 1 0 353.422 2.870 20 5 FFBDRO CN1CC[NH+](CC2CCN(c3ccc4ncccc4c3[N+](=O)[O-])CC2)CC1 ZINC000112076508 508148823 /nfs/dbraw/zinc/14/88/23/508148823.db2.gz VUCVUWTXPVFFNM-UHFFFAOYSA-N 1 0 369.469 2.607 20 5 FFBDRO Cc1cccc([C@H]2CCCC[N@@H+]2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1C ZINC000075999874 508150172 /nfs/dbraw/zinc/15/01/72/508150172.db2.gz CDZSQJOJSNPEKF-PKOBYXMFSA-N 1 0 358.442 2.996 20 5 FFBDRO CCc1nn(C)c(NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)c1[N+](=O)[O-] ZINC000094155359 508170980 /nfs/dbraw/zinc/17/09/80/508170980.db2.gz XCNOAMIREJTZDV-INIZCTEOSA-N 1 0 357.458 2.867 20 5 FFBDRO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1CC[C@H]([NH+]2CCCC2)C1 ZINC000112680061 508208767 /nfs/dbraw/zinc/20/87/67/508208767.db2.gz NRUMCHNDUYHXFA-LBPRGKRZSA-N 1 0 351.378 2.585 20 5 FFBDRO C[NH+](C)CCN(C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)C1CCCC1 ZINC000112916100 508232834 /nfs/dbraw/zinc/23/28/34/508232834.db2.gz WJUVUWJXBNUWAB-UHFFFAOYSA-N 1 0 371.441 2.727 20 5 FFBDRO O=[N+]([O-])c1ccc(NCC2([NH+]3CCCCC3)CCOCC2)c([N+](=O)[O-])c1 ZINC000076688296 508241465 /nfs/dbraw/zinc/24/14/65/508241465.db2.gz SQGFIQKSIFEYCH-UHFFFAOYSA-N 1 0 364.402 2.950 20 5 FFBDRO O=[N+]([O-])c1ccccc1OCC[NH+]1CCC(OC[C@H]2CCCO2)CC1 ZINC000083414282 508244963 /nfs/dbraw/zinc/24/49/63/508244963.db2.gz GGANQNSPJOEABH-MRXNPFEDSA-N 1 0 350.415 2.634 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CC[C@@H](Nc3ccccc3)C2)c1 ZINC000076757174 508251367 /nfs/dbraw/zinc/25/13/67/508251367.db2.gz PEFMUNWZNDACBX-AEFFLSMTSA-N 1 0 357.410 2.521 20 5 FFBDRO COc1cc(CN2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000113268061 508256075 /nfs/dbraw/zinc/25/60/75/508256075.db2.gz MHGPJHSWEVKVNP-WCQYABFASA-N 1 0 371.384 2.873 20 5 FFBDRO COc1ccccc1CN1CCN(C(=O)c2cccc(C)c2[N+](=O)[O-])CC1 ZINC000102760450 508284308 /nfs/dbraw/zinc/28/43/08/508284308.db2.gz XFBGSULCXHLTQH-UHFFFAOYSA-N 1 0 369.421 2.870 20 5 FFBDRO C[C@@H](CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)[N@@H+]1CCC[C@H](C)C1 ZINC000087103058 508336964 /nfs/dbraw/zinc/33/69/64/508336964.db2.gz UTXNTDQZZXHQOK-GJZGRUSLSA-N 1 0 360.458 2.783 20 5 FFBDRO CCCN(CC[NH+]1CCCC1)C(=O)c1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000410850234 512392221 /nfs/dbraw/zinc/39/22/21/512392221.db2.gz BQPLOGFCJFUGLJ-UHFFFAOYSA-N 1 0 353.394 2.691 20 5 FFBDRO NC(=O)c1ccc(C[NH+]2CCC(OCc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000115357686 508387493 /nfs/dbraw/zinc/38/74/93/508387493.db2.gz VOBRHOOZZNPZED-UHFFFAOYSA-N 1 0 369.421 2.875 20 5 FFBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000127503800 508460263 /nfs/dbraw/zinc/46/02/63/508460263.db2.gz QAFAZFPZVADICZ-MRXNPFEDSA-N 1 0 360.458 2.731 20 5 FFBDRO COc1cc(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)c([N+](=O)[O-])cc1OC ZINC000116130013 508476446 /nfs/dbraw/zinc/47/64/46/508476446.db2.gz GLMHTEJKABSCIU-INIZCTEOSA-N 1 0 367.446 2.708 20 5 FFBDRO COc1cc(C[N@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])ccc1O ZINC000156908083 508495524 /nfs/dbraw/zinc/49/55/24/508495524.db2.gz CDEVTRXQSXWARD-UHFFFAOYSA-N 1 0 359.382 2.770 20 5 FFBDRO CN(c1ccccc1)c1ccc(C[N@@H+]2CC[C@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000157071423 508518706 /nfs/dbraw/zinc/51/87/06/508518706.db2.gz DKAKDNPOTBOWCM-HNNXBMFYSA-N 1 0 354.410 2.670 20 5 FFBDRO CC1CCN(c2ccc(C(=O)NC[C@H](C3CC3)[NH+](C)C)cc2[N+](=O)[O-])CC1 ZINC000122413381 508531506 /nfs/dbraw/zinc/53/15/06/508531506.db2.gz WZAYQUYNXWLFNY-LJQANCHMSA-N 1 0 374.485 2.901 20 5 FFBDRO NC(=O)[C@H]1CC[N@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000157174844 508532976 /nfs/dbraw/zinc/53/29/76/508532976.db2.gz RHTWXPAMMXBTEK-ZDUSSCGKSA-N 1 0 359.357 2.833 20 5 FFBDRO O=C1c2ccccc2C(=O)N1CCCN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153243585 508562812 /nfs/dbraw/zinc/56/28/12/508562812.db2.gz JACNQKBOYUAHOC-UHFFFAOYSA-N 1 0 365.389 2.639 20 5 FFBDRO CC(C)C[C@H]1COCC[N@@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000117341925 508593521 /nfs/dbraw/zinc/59/35/21/508593521.db2.gz LXYFNCNGZHTBRU-HNNXBMFYSA-N 1 0 363.414 2.640 20 5 FFBDRO O=[N+]([O-])c1cccc(CS(=O)(=O)NCCCCC[NH+]2CCCCC2)c1 ZINC000153660081 508619834 /nfs/dbraw/zinc/61/98/34/508619834.db2.gz TZIBGCKGBNLVTB-UHFFFAOYSA-N 1 0 369.487 2.670 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000123032215 508624814 /nfs/dbraw/zinc/62/48/14/508624814.db2.gz YKTCJNFMMZQPHB-UHFFFAOYSA-N 1 0 358.398 2.857 20 5 FFBDRO CCCC[N@H+](C)CC1CCN(C(=O)c2[nH]nc(CCC)c2[N+](=O)[O-])CC1 ZINC000117985537 508626302 /nfs/dbraw/zinc/62/63/02/508626302.db2.gz BUPPPAZQARBBJO-UHFFFAOYSA-N 1 0 365.478 2.855 20 5 FFBDRO CC[C@H](O)[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000128687341 508629202 /nfs/dbraw/zinc/62/92/02/508629202.db2.gz PANLCJGDJSBBKI-HOTGVXAUSA-N 1 0 353.394 2.688 20 5 FFBDRO C[C@@H]1C[C@@H](N(C)CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000123199435 508650894 /nfs/dbraw/zinc/65/08/94/508650894.db2.gz UHUBGROLADNFKN-YPMHNXCESA-N 1 0 354.838 2.601 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1SC ZINC000123207123 508652121 /nfs/dbraw/zinc/65/21/21/508652121.db2.gz SLUFCUOHQUGOLZ-NEPJUHHUSA-N 1 0 367.471 2.880 20 5 FFBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000136048479 508667182 /nfs/dbraw/zinc/66/71/82/508667182.db2.gz MHNQXLMRTPORGW-HNNXBMFYSA-N 1 0 370.453 2.953 20 5 FFBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000136610663 508703497 /nfs/dbraw/zinc/70/34/97/508703497.db2.gz DAGIAVDDWSAWGR-CQSZACIVSA-N 1 0 358.442 2.809 20 5 FFBDRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000158513405 508715595 /nfs/dbraw/zinc/71/55/95/508715595.db2.gz VMDMBYRAPLOLNB-RNCFNFMXSA-N 1 0 356.220 2.605 20 5 FFBDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000123755704 508733999 /nfs/dbraw/zinc/73/39/99/508733999.db2.gz QLEGXODGZWGYRI-HNNXBMFYSA-N 1 0 358.398 2.710 20 5 FFBDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000123755464 508734433 /nfs/dbraw/zinc/73/44/33/508734433.db2.gz QLEGXODGZWGYRI-OAHLLOKOSA-N 1 0 358.398 2.710 20 5 FFBDRO COc1cc(CN2CCC[C@H](O)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000158766164 508749753 /nfs/dbraw/zinc/74/97/53/508749753.db2.gz OREVCKWDCRPQIU-NSHDSACASA-N 1 0 364.320 2.501 20 5 FFBDRO C[C@H]1C[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C[N@@H+]1Cc1ccccc1 ZINC000137431619 508756096 /nfs/dbraw/zinc/75/60/96/508756096.db2.gz YVMAOMFZVKPBQA-WFASDCNBSA-N 1 0 372.400 2.709 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c1 ZINC000137449004 508756330 /nfs/dbraw/zinc/75/63/30/508756330.db2.gz NUKCPRRANSFZRA-GOEBONIOSA-N 1 0 369.421 2.996 20 5 FFBDRO CC[NH+](CC)[C@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])c1ccccc1Cl ZINC000158942750 508772228 /nfs/dbraw/zinc/77/22/28/508772228.db2.gz CQCHTSYLCMYPGP-CYBMUJFWSA-N 1 0 365.821 2.784 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CC3(CO)CCOCC3)cs2)c1 ZINC000129972804 508784972 /nfs/dbraw/zinc/78/49/72/508784972.db2.gz SSIYURPOXHORTR-UHFFFAOYSA-N 1 0 363.439 2.597 20 5 FFBDRO O=C(NCc1ccccc1[N+](=O)[O-])N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000124322323 508815091 /nfs/dbraw/zinc/81/50/91/508815091.db2.gz LFHSQGZGOXFUBT-RDJZCZTQSA-N 1 0 358.442 2.753 20 5 FFBDRO C[C@@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2Br)CC[N@@H+]1C ZINC000124337499 508817217 /nfs/dbraw/zinc/81/72/17/508817217.db2.gz AZAPCUJLYPDRHG-GHMZBOCLSA-N 1 0 370.247 2.912 20 5 FFBDRO Cc1cc(NC(=O)c2ccc([N+](=O)[O-])s2)n(-c2cc(C)nc(C)n2)n1 ZINC000150694556 508877522 /nfs/dbraw/zinc/87/75/22/508877522.db2.gz DXPYQSAVYKBUDS-UHFFFAOYSA-N 1 0 358.383 2.810 20 5 FFBDRO Cc1sc(S(=O)(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)cc1[N+](=O)[O-] ZINC000124828438 508890868 /nfs/dbraw/zinc/89/08/68/508890868.db2.gz GUIMQKBWXHEIED-ZDUSSCGKSA-N 1 0 373.500 2.508 20 5 FFBDRO NC(=O)c1ccc(C[N@@H+]2CCC[C@H](Nc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000155008429 508902597 /nfs/dbraw/zinc/90/25/97/508902597.db2.gz SVOOBCOQHPZHEH-KRWDZBQOSA-N 1 0 354.410 2.770 20 5 FFBDRO Cn1cc(C[NH2+][C@H](CO)Cc2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000131544937 508947996 /nfs/dbraw/zinc/94/79/96/508947996.db2.gz LIVSRIHIIWJEFJ-SFHVURJKSA-N 1 0 366.421 2.689 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)c1C ZINC000120416776 508991549 /nfs/dbraw/zinc/99/15/49/508991549.db2.gz QRFWSFKEGCWQIA-AWEZNQCLSA-N 1 0 367.471 2.507 20 5 FFBDRO COc1ccc2oc(C[NH2+][C@H](CO)[C@H](O)c3ccc([N+](=O)[O-])cc3)cc2c1 ZINC000125583556 509003065 /nfs/dbraw/zinc/00/30/65/509003065.db2.gz LDAVYDVIKHRZCZ-IEBWSBKVSA-N 1 0 372.377 2.534 20 5 FFBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CC[NH2+]C[C@@H]3C)cc2[N+](=O)[O-])C1 ZINC000125705086 509018916 /nfs/dbraw/zinc/01/89/16/509018916.db2.gz DWILAGJESUTVGP-ZNMIVQPWSA-N 1 0 360.458 2.511 20 5 FFBDRO CCC(CC)(C[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)OC ZINC000120638283 509037076 /nfs/dbraw/zinc/03/70/76/509037076.db2.gz CACMIJLNOGXUAT-UHFFFAOYSA-N 1 0 362.386 2.714 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)CCC1CCOCC1 ZINC000120680303 509043950 /nfs/dbraw/zinc/04/39/50/509043950.db2.gz LGUVRZIGKZBVJX-UHFFFAOYSA-N 1 0 365.430 2.681 20 5 FFBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@@H](O)c3cccc(Cl)c3)CC2)n1 ZINC000369493036 512435805 /nfs/dbraw/zinc/43/58/05/512435805.db2.gz JMBYNWMTSCTGGZ-OAHLLOKOSA-N 1 0 350.806 2.815 20 5 FFBDRO C[NH+](C)[C@@H](CNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)c1ccccc1 ZINC000161136183 509076189 /nfs/dbraw/zinc/07/61/89/509076189.db2.gz ZUHJXMQTSAPRNL-IBGZPJMESA-N 1 0 368.437 2.965 20 5 FFBDRO O=C(NCC[NH+]1CCCCC1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000162086018 509172047 /nfs/dbraw/zinc/17/20/47/509172047.db2.gz SFTRSYVEMGCXNW-UHFFFAOYSA-N 1 0 356.220 2.573 20 5 FFBDRO COc1cc(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000247975481 509205925 /nfs/dbraw/zinc/20/59/25/509205925.db2.gz GIARMDDTWZXIQX-MAUKXSAKSA-N 1 0 355.394 2.779 20 5 FFBDRO C[NH2+]C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)C1 ZINC000179004544 509222083 /nfs/dbraw/zinc/22/20/83/509222083.db2.gz NDBQEXFGDLCXLP-OAHLLOKOSA-N 1 0 360.458 2.513 20 5 FFBDRO COC(=O)c1cc(C(=O)Nc2ccc(CC[NH+](C)C)cc2)cc([N+](=O)[O-])c1 ZINC000263956706 509246976 /nfs/dbraw/zinc/24/69/76/509246976.db2.gz PSSDPPSMPJRZKP-UHFFFAOYSA-N 1 0 371.393 2.738 20 5 FFBDRO C[C@H]1C[C@H](C)CN(c2ccc(C(=O)N(C)[C@@H]3CC[NH2+]C3)cc2[N+](=O)[O-])C1 ZINC000179117468 509270609 /nfs/dbraw/zinc/27/06/09/509270609.db2.gz ZVUWWVRFRUVHMN-OFQRWUPVSA-N 1 0 360.458 2.511 20 5 FFBDRO COc1cccc(NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000185644288 509281366 /nfs/dbraw/zinc/28/13/66/509281366.db2.gz LQSIKEJQBMTIQD-CVEARBPZSA-N 1 0 357.410 2.651 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000248438838 509320431 /nfs/dbraw/zinc/32/04/31/509320431.db2.gz CBWLAQRPRGMQBV-ZWKOTPCHSA-N 1 0 356.422 2.899 20 5 FFBDRO C[C@@H]1C[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]2CCCC[C@@H]21 ZINC000248465359 509335416 /nfs/dbraw/zinc/33/54/16/509335416.db2.gz RPKBFNANRJOYEG-KBRIMQKVSA-N 1 0 352.456 2.879 20 5 FFBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000182644214 509349288 /nfs/dbraw/zinc/34/92/88/509349288.db2.gz XWOGNNRRSNPCCP-GFCCVEGCSA-N 1 0 355.847 2.647 20 5 FFBDRO CN(CC1CC[NH+](C)CC1)C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000182662721 509358243 /nfs/dbraw/zinc/35/82/43/509358243.db2.gz FXKUAMNGTNEHAK-UHFFFAOYSA-N 1 0 370.247 2.771 20 5 FFBDRO CC(C)[N@H+]1C[C@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C1 ZINC000185858313 509390989 /nfs/dbraw/zinc/39/09/89/509390989.db2.gz FCOBEKFUDLGRNR-NHYWBVRUSA-N 1 0 354.838 2.776 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cc1SC ZINC000264221704 509392335 /nfs/dbraw/zinc/39/23/35/509392335.db2.gz WBQCHZBPDASGRZ-QWHCGFSZSA-N 1 0 365.455 2.682 20 5 FFBDRO COc1ccccc1C[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)C(C)C ZINC000185905881 509418507 /nfs/dbraw/zinc/41/85/07/509418507.db2.gz VCUSNGKMKATEGC-KRWDZBQOSA-N 1 0 359.426 2.622 20 5 FFBDRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)C[C@H]12 ZINC000248665943 509425572 /nfs/dbraw/zinc/42/55/72/509425572.db2.gz WJUIVRHRNYOMAC-KWCYVHTRSA-N 1 0 358.423 2.528 20 5 FFBDRO O=C(CC[NH+]1CCC([C@H]2CCCO2)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000189217267 509466870 /nfs/dbraw/zinc/46/68/70/509466870.db2.gz GGOGBHGGHIGOCZ-QGZVFWFLSA-N 1 0 365.405 2.954 20 5 FFBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N(C)CC[NH+](C)C)cc2[N+](=O)[O-])C1 ZINC000176371685 509472445 /nfs/dbraw/zinc/47/24/45/509472445.db2.gz CJPZUDPRVBVIAE-HUUCEWRRSA-N 1 0 362.474 2.711 20 5 FFBDRO CC[NH+](CC)[C@H]1CCN(C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000186001439 509472857 /nfs/dbraw/zinc/47/28/57/509472857.db2.gz OGOBSNWOQYJLKQ-AWEZNQCLSA-N 1 0 354.838 2.874 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000179511808 509487873 /nfs/dbraw/zinc/48/78/73/509487873.db2.gz QUAHFHGGTSDDRO-CYBMUJFWSA-N 1 0 357.414 2.979 20 5 FFBDRO CC(C)([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C(=O)NCC1CCCCC1 ZINC000179608239 509534814 /nfs/dbraw/zinc/53/48/14/509534814.db2.gz KOENIEMRHZPGOY-KRWDZBQOSA-N 1 0 363.458 2.693 20 5 FFBDRO C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183029281 509556004 /nfs/dbraw/zinc/55/60/04/509556004.db2.gz CLVYCIKZBKRTBV-KGLIPLIRSA-N 1 0 367.471 2.526 20 5 FFBDRO CCn1nc(C)c([N+](=O)[O-])c1NCC1([NH+]2CCCCC2)CCOCC1 ZINC000192608676 509564784 /nfs/dbraw/zinc/56/47/84/509564784.db2.gz SXEAAWYJNDXZQC-UHFFFAOYSA-N 1 0 351.451 2.567 20 5 FFBDRO C[NH2+]C[C@H]1CCCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000237094144 509570167 /nfs/dbraw/zinc/57/01/67/509570167.db2.gz MAJDJLOIRHWKEZ-MRXNPFEDSA-N 1 0 363.461 2.613 20 5 FFBDRO O=C(C[NH2+]C1(c2cccc(F)c2)CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000179685103 509573109 /nfs/dbraw/zinc/57/31/09/509573109.db2.gz UZHVPBZWRIGOIO-UHFFFAOYSA-N 1 0 355.369 2.902 20 5 FFBDRO Cc1ccc([C@H](CNC(=O)Cc2cccc([N+](=O)[O-])c2)[NH+]2CCCC2)o1 ZINC000173407141 509578657 /nfs/dbraw/zinc/57/86/57/509578657.db2.gz GHDFJZRFCGHNCR-KRWDZBQOSA-N 1 0 357.410 2.992 20 5 FFBDRO C[NH2+]C[C@H](C)CNC(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000237186908 509590083 /nfs/dbraw/zinc/59/00/83/509590083.db2.gz CIHZWLYFYLDWBY-ZNMIVQPWSA-N 1 0 362.474 2.662 20 5 FFBDRO O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000264552931 509596809 /nfs/dbraw/zinc/59/68/09/509596809.db2.gz DATXVZDCXOUNBI-QGZVFWFLSA-N 1 0 372.469 2.895 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](CCCO)c1ccccc1 ZINC000179741570 509600051 /nfs/dbraw/zinc/60/00/51/509600051.db2.gz WLGYUIGAPPNKPN-SFHVURJKSA-N 1 0 357.410 2.945 20 5 FFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1c2ccccc2C[C@@H]1O ZINC000166597314 509612423 /nfs/dbraw/zinc/61/24/23/509612423.db2.gz AKEGGKAPCXJMKN-KHDYIWLOSA-N 1 0 355.394 2.560 20 5 FFBDRO COc1ccc([C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])N2CCOCC2)cc1 ZINC000237338678 509627168 /nfs/dbraw/zinc/62/71/68/509627168.db2.gz VYYNWYJDVLLQAS-FQEVSTJZSA-N 1 0 371.437 2.767 20 5 FFBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000186330112 509652389 /nfs/dbraw/zinc/65/23/89/509652389.db2.gz SVKHBGVEZCUOPJ-IYICPGQYSA-N 1 0 373.453 2.569 20 5 FFBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NC[C@@H]([NH3+])C3CC3)cc2[N+](=O)[O-])C1 ZINC000237478237 509658097 /nfs/dbraw/zinc/65/80/97/509658097.db2.gz YHITUHOGLJNMDC-XJKCOSOUSA-N 1 0 360.458 2.544 20 5 FFBDRO C[C@@H]([NH2+][C@@H](C)C1CCOCC1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000179876155 509658307 /nfs/dbraw/zinc/65/83/07/509658307.db2.gz JADWNRQBGMZULB-WDEREUQCSA-N 1 0 355.822 2.980 20 5 FFBDRO COc1cc(CN2CC[NH+](C(C)C)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000179914902 509670703 /nfs/dbraw/zinc/67/07/03/509670703.db2.gz CXMWFKXKOWNCIK-UHFFFAOYSA-N 1 0 373.400 2.773 20 5 FFBDRO O=C(NCC[NH+]1CCCCC1)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000267941383 509680299 /nfs/dbraw/zinc/68/02/99/509680299.db2.gz ODACYTKYLXCBPV-UHFFFAOYSA-N 1 0 374.210 2.712 20 5 FFBDRO CCS[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000249515746 509700568 /nfs/dbraw/zinc/70/05/68/509700568.db2.gz QQIIHCDXQPDKOA-DJIMGWMZSA-N 1 0 354.472 2.988 20 5 FFBDRO CC[C@@H](CO)[NH+]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000179996619 509704959 /nfs/dbraw/zinc/70/49/59/509704959.db2.gz IBTYIKWGRGPRPM-INIZCTEOSA-N 1 0 359.426 2.743 20 5 FFBDRO COc1cc(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000180115257 509760699 /nfs/dbraw/zinc/76/06/99/509760699.db2.gz GIARMDDTWZXIQX-QAPCUYQASA-N 1 0 355.394 2.779 20 5 FFBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000176914772 509762860 /nfs/dbraw/zinc/76/28/60/509762860.db2.gz COQXWHRKGIBWRP-HNNXBMFYSA-N 1 0 365.474 2.979 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H](Cc2ccccc2)C2CC2)cc1 ZINC000183399505 509763329 /nfs/dbraw/zinc/76/33/29/509763329.db2.gz JRYHGUDPAQKLJC-LJQANCHMSA-N 1 0 374.462 2.979 20 5 FFBDRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000237919589 509773353 /nfs/dbraw/zinc/77/33/53/509773353.db2.gz VRFARPPCFANSPT-MAUKXSAKSA-N 1 0 363.461 2.788 20 5 FFBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000173785034 509775492 /nfs/dbraw/zinc/77/54/92/509775492.db2.gz HBHIEXFGOYSJFH-OAHLLOKOSA-N 1 0 371.441 2.584 20 5 FFBDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000176974569 509792233 /nfs/dbraw/zinc/79/22/33/509792233.db2.gz LZDPXTGJQABDJP-MRXNPFEDSA-N 1 0 368.437 2.771 20 5 FFBDRO [NH3+][C@H](C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 ZINC000238000901 509795885 /nfs/dbraw/zinc/79/58/85/509795885.db2.gz HYZRJTNPIQQHBC-SFHVURJKSA-N 1 0 355.394 2.665 20 5 FFBDRO O=C(Cn1c2ccccc2c(=O)c2ccccc21)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000238150757 509827666 /nfs/dbraw/zinc/82/76/66/509827666.db2.gz ZJMZVENOBZNXQD-XYPWUTKMSA-N 1 0 361.445 2.554 20 5 FFBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000268231967 509827810 /nfs/dbraw/zinc/82/78/10/509827810.db2.gz SIUUPBGPXHSAJX-ZANVPECISA-N 1 0 368.231 2.570 20 5 FFBDRO CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])C1 ZINC000173920265 509855159 /nfs/dbraw/zinc/85/51/59/509855159.db2.gz HXCNAFBLRRGTMV-OAHLLOKOSA-N 1 0 369.487 2.564 20 5 FFBDRO C[NH+](C)CCCOC1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000177101835 509873455 /nfs/dbraw/zinc/87/34/55/509873455.db2.gz PWALONPLGFNHOK-RMKNXTFCSA-N 1 0 361.442 2.567 20 5 FFBDRO C[C@H](CNC(=O)Nc1ccncc1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000183591438 509875389 /nfs/dbraw/zinc/87/53/89/509875389.db2.gz ZYTVXMIZWPSFHW-CYBMUJFWSA-N 1 0 355.398 2.558 20 5 FFBDRO CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])C1 ZINC000190027413 509893162 /nfs/dbraw/zinc/89/31/62/509893162.db2.gz DQQDLCQAKLIQIU-OAHLLOKOSA-N 1 0 369.487 2.564 20 5 FFBDRO CCOC1CC(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)(N2CCOCC2)C1 ZINC000193404050 509900246 /nfs/dbraw/zinc/90/02/46/509900246.db2.gz ZOUMBMIRADHWSP-VNCLNFNDSA-N 1 0 363.458 2.515 20 5 FFBDRO C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Br)C[N@@H+]1C1CC1 ZINC000177172918 509917844 /nfs/dbraw/zinc/91/78/44/509917844.db2.gz YAQPJSDDWLWLIS-ZJUUUORDSA-N 1 0 368.231 2.712 20 5 FFBDRO COC(=O)c1ccc(NC(=O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000180447133 509929450 /nfs/dbraw/zinc/92/94/50/509929450.db2.gz ZTWVCGFMVSEAPM-GFCCVEGCSA-N 1 0 357.366 2.671 20 5 FFBDRO Cn1cc(C[N@@H+]2CCS[C@H]3COCC[C@@H]32)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000180452246 509930695 /nfs/dbraw/zinc/93/06/95/509930695.db2.gz IPCRNUDDRXXLIL-IRXDYDNUSA-N 1 0 374.466 2.702 20 5 FFBDRO CC[N@H+](C)C[C@@H]1CCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000245437273 509933865 /nfs/dbraw/zinc/93/38/65/509933865.db2.gz DSEGCQSEGMBDPR-OLZOCXBDSA-N 1 0 368.865 2.849 20 5 FFBDRO CC(C)[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1Cl ZINC000183704195 509935886 /nfs/dbraw/zinc/93/58/86/509935886.db2.gz QCRHAQLZYWQWSZ-BBRMVZONSA-N 1 0 352.822 2.793 20 5 FFBDRO CC(C)N(C(=O)[C@H](C)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)C(C)C ZINC000245440586 509936672 /nfs/dbraw/zinc/93/66/72/509936672.db2.gz GPDZTUYYFUHXDI-LSDHHAIUSA-N 1 0 363.462 2.510 20 5 FFBDRO Cc1cccc([C@@H](C)[NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000174105366 509949847 /nfs/dbraw/zinc/94/98/47/509949847.db2.gz ZINNFHOCMSQFKP-CQSZACIVSA-N 1 0 363.439 2.532 20 5 FFBDRO CC[NH+](CC)[C@H]1CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000174130345 509960787 /nfs/dbraw/zinc/96/07/87/509960787.db2.gz HJLAHWCPXSOVQQ-INIZCTEOSA-N 1 0 360.458 2.751 20 5 FFBDRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000180531191 509969700 /nfs/dbraw/zinc/96/97/00/509969700.db2.gz CHIPZPVINPFHAW-LLVKDONJSA-N 1 0 370.247 2.962 20 5 FFBDRO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)c([N+](=O)[O-])c1 ZINC000193585106 509978446 /nfs/dbraw/zinc/97/84/46/509978446.db2.gz MOGOKJBQMNDMJE-CYBMUJFWSA-N 1 0 373.413 2.535 20 5 FFBDRO COC(=O)c1cnc(NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000190171183 509985445 /nfs/dbraw/zinc/98/54/45/509985445.db2.gz CHNXKJZFXULILV-OAHLLOKOSA-N 1 0 374.397 2.927 20 5 FFBDRO Cc1c(NC(=O)[C@H](C)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000261673576 510020766 /nfs/dbraw/zinc/02/07/66/510020766.db2.gz HUBIZJKJNRFKGY-BHYGNILZSA-N 1 0 368.437 2.657 20 5 FFBDRO C[C@H]([NH2+]C[C@@H]1C[C@@H](O)CN1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000245597414 510028391 /nfs/dbraw/zinc/02/83/91/510028391.db2.gz NOZHCLJBAMDXJM-RYGJVYDSSA-N 1 0 355.438 2.881 20 5 FFBDRO COC[C@]1(CNc2cc(C)c([N+](=O)[O-])cc2Br)CCC[NH2+]1 ZINC000261702228 510032466 /nfs/dbraw/zinc/03/24/66/510032466.db2.gz OHDHKKLEOILCHO-CQSZACIVSA-N 1 0 358.236 2.846 20 5 FFBDRO O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261714077 510038427 /nfs/dbraw/zinc/03/84/27/510038427.db2.gz GLCAEOUZIABEFQ-OKILXGFUSA-N 1 0 372.450 2.790 20 5 FFBDRO CC[C@H](O)CC[NH2+]Cc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000268703699 510078394 /nfs/dbraw/zinc/07/83/94/510078394.db2.gz VVLIVHUJZMUIET-NSHDSACASA-N 1 0 366.336 2.795 20 5 FFBDRO CCOc1cccc(NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000184051088 510105702 /nfs/dbraw/zinc/10/57/02/510105702.db2.gz QCTKHDPAZRQRQR-QGZVFWFLSA-N 1 0 371.437 2.825 20 5 FFBDRO CC(C)(C)CC[NH+]1CCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC1 ZINC000180850150 510143473 /nfs/dbraw/zinc/14/34/73/510143473.db2.gz SFEUHPMNPLYRMQ-UHFFFAOYSA-N 1 0 363.414 2.518 20 5 FFBDRO C[NH2+]CCC1CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 ZINC000262019689 510150707 /nfs/dbraw/zinc/15/07/07/510150707.db2.gz IMBZKVXPKKJJDH-UHFFFAOYSA-N 1 0 360.458 2.657 20 5 FFBDRO Nc1cccc([N+](=O)[O-])c1C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000180925751 510186786 /nfs/dbraw/zinc/18/67/86/510186786.db2.gz NSBVPQIAOPQFTR-UHFFFAOYSA-N 1 0 368.437 2.614 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCC(Oc3ccc(F)nc3)CC2)c1 ZINC000190538501 510190952 /nfs/dbraw/zinc/19/09/52/510190952.db2.gz JQNJXRVSRRURHH-QGZVFWFLSA-N 1 0 361.373 2.706 20 5 FFBDRO C[C@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000184259324 510225117 /nfs/dbraw/zinc/22/51/17/510225117.db2.gz BZPRIWUVWVLTRB-AWEZNQCLSA-N 1 0 369.487 2.525 20 5 FFBDRO [NH3+]C[C@@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)C[C@H]1c1ccccc1 ZINC000262295907 510234700 /nfs/dbraw/zinc/23/47/00/510234700.db2.gz WRZYQBMGDWTLKR-MJGOQNOKSA-N 1 0 353.422 2.728 20 5 FFBDRO O=[N+]([O-])c1ccc(NC[C@@H](O)C[NH+]2CCCCC2)c(Br)c1 ZINC000174684412 510250476 /nfs/dbraw/zinc/25/04/76/510250476.db2.gz HCGIIJBRQVKQOH-GFCCVEGCSA-N 1 0 358.236 2.616 20 5 FFBDRO COc1ccc2oc([C@H](C)[NH2+]C[C@H](O)Cn3cc([N+](=O)[O-])cn3)c(C)c2c1 ZINC000184321247 510261306 /nfs/dbraw/zinc/26/13/06/510261306.db2.gz MDVIGQAYQUULTP-JSGCOSHPSA-N 1 0 374.397 2.566 20 5 FFBDRO CC(C)(C)[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(F)c1 ZINC000181074016 510268056 /nfs/dbraw/zinc/26/80/56/510268056.db2.gz XHDIPAINRPSTAC-CVEARBPZSA-N 1 0 350.394 2.668 20 5 FFBDRO C[C@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)[C@@H]1CCC[NH2+]C1 ZINC000269186869 510280506 /nfs/dbraw/zinc/28/05/06/510280506.db2.gz JQGIHWRLVRTLKO-JKSUJKDBSA-N 1 0 363.461 2.659 20 5 FFBDRO Cn1cc(C[N@@H+]2CCS[C@H]3COCC[C@H]32)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000246091330 510287159 /nfs/dbraw/zinc/28/71/59/510287159.db2.gz IPCRNUDDRXXLIL-SJORKVTESA-N 1 0 374.466 2.702 20 5 FFBDRO C[C@@H]([NH3+])CCNC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000262534011 510310266 /nfs/dbraw/zinc/31/02/66/510310266.db2.gz LNCCWFKYYIHGEE-OLZOCXBDSA-N 1 0 357.414 2.630 20 5 FFBDRO COc1cc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)ccc1[N+](=O)[O-] ZINC000269298587 510329394 /nfs/dbraw/zinc/32/93/94/510329394.db2.gz BHTXTYFUQVPZNN-UHFFFAOYSA-N 1 0 362.474 2.598 20 5 FFBDRO C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC[N@@H+]1Cc1ccccc1 ZINC000184463477 510335796 /nfs/dbraw/zinc/33/57/96/510335796.db2.gz VWGYXBFATYNFND-OAHLLOKOSA-N 1 0 368.437 2.914 20 5 FFBDRO CCOc1cc(NCc2cccnc2N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000174880447 510362029 /nfs/dbraw/zinc/36/20/29/510362029.db2.gz SAHQDPBUIMYSQR-UHFFFAOYSA-N 1 0 371.441 2.752 20 5 FFBDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000174923323 510389035 /nfs/dbraw/zinc/38/90/35/510389035.db2.gz KANWWOQLTABXPM-INIZCTEOSA-N 1 0 368.437 2.771 20 5 FFBDRO CCOC(=O)c1ccnc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000246371108 510452700 /nfs/dbraw/zinc/45/27/00/510452700.db2.gz NZZAUIHXTMPWOB-XJKSGUPXSA-N 1 0 374.441 2.620 20 5 FFBDRO C[C@@H](NC(=O)CN(C)c1ccccc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181547858 510467096 /nfs/dbraw/zinc/46/70/96/510467096.db2.gz IWEGGORCUWLMNP-HZPDHXFCSA-N 1 0 374.485 2.800 20 5 FFBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000175125987 510494368 /nfs/dbraw/zinc/49/43/68/510494368.db2.gz YLYGKAKAJHFTQV-BQYQJAHWSA-N 1 0 373.453 2.711 20 5 FFBDRO COCC[N@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)Cc1cccnc1 ZINC000191240161 510563921 /nfs/dbraw/zinc/56/39/21/510563921.db2.gz FUOHEFVNZGHKIG-UHFFFAOYSA-N 1 0 372.425 2.775 20 5 FFBDRO CC(C)[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000266425636 510579234 /nfs/dbraw/zinc/57/92/34/510579234.db2.gz JPLFJBATUXZQRO-HOTGVXAUSA-N 1 0 352.822 2.793 20 5 FFBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)NC(=O)NCc2ccccc2)cc1[N+](=O)[O-] ZINC000181819943 510611485 /nfs/dbraw/zinc/61/14/85/510611485.db2.gz YRXUVCZOJFSNTM-AWEZNQCLSA-N 1 0 370.409 2.580 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCOC2(C1)CCCCCC2 ZINC000182020846 510714552 /nfs/dbraw/zinc/71/45/52/510714552.db2.gz ZYLQALYBWWSVLI-MRXNPFEDSA-N 1 0 364.442 2.760 20 5 FFBDRO Cc1sc(C(=O)NC2CC[NH+](Cc3cccnc3)CC2)cc1[N+](=O)[O-] ZINC000175667779 510723428 /nfs/dbraw/zinc/72/34/28/510723428.db2.gz UTCZMJPNNQQYSO-UHFFFAOYSA-N 1 0 360.439 2.754 20 5 FFBDRO C[N@H+](CCNC(=O)NCc1cccc([N+](=O)[O-])c1)Cc1ccc(F)cc1 ZINC000175688238 510734672 /nfs/dbraw/zinc/73/46/72/510734672.db2.gz VLVJHGIMQDMMOS-UHFFFAOYSA-N 1 0 360.389 2.665 20 5 FFBDRO CN(CC1CC[NH+](C)CC1)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000172496504 510754828 /nfs/dbraw/zinc/75/48/28/510754828.db2.gz WJUGYOURAOHTBB-UHFFFAOYSA-N 1 0 362.474 2.901 20 5 FFBDRO C[N@@H+]1CCCN(CCC[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000246945626 510760886 /nfs/dbraw/zinc/76/08/86/510760886.db2.gz HZGQSVCKEJWKHL-LJQANCHMSA-N 1 0 360.502 2.533 20 5 FFBDRO C[C@@H]([NH2+]Cc1cnc(N2CCOCC2)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000185278660 510786328 /nfs/dbraw/zinc/78/63/28/510786328.db2.gz XXAPEXVNSAYDDL-CYBMUJFWSA-N 1 0 360.389 2.816 20 5 FFBDRO COc1ccc([C@@H](C)[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1F ZINC000182179169 510798336 /nfs/dbraw/zinc/79/83/36/510798336.db2.gz ZYXBAAIRZRGHSB-TZMCWYRMSA-N 1 0 364.373 2.833 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000182206520 510814351 /nfs/dbraw/zinc/81/43/51/510814351.db2.gz KKHSEBDEYDQSSC-MSOLQXFVSA-N 1 0 371.437 2.911 20 5 FFBDRO Cc1nn(CCC(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)c(C)c1[N+](=O)[O-] ZINC000263766096 510833408 /nfs/dbraw/zinc/83/34/08/510833408.db2.gz DLOVOLHSQHUWEM-QGZVFWFLSA-N 1 0 373.457 2.526 20 5 FFBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000247310579 510856347 /nfs/dbraw/zinc/85/63/47/510856347.db2.gz HLKBCJFEBOYTGU-QMTHXVAHSA-N 1 0 370.247 2.770 20 5 FFBDRO C[NH2+]C[C@@H]1CCN(C(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC000247331490 510857478 /nfs/dbraw/zinc/85/74/78/510857478.db2.gz VBKKAVANVGSPGJ-XHSDSOJGSA-N 1 0 374.485 2.759 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1SC ZINC000247420715 510860216 /nfs/dbraw/zinc/86/02/16/510860216.db2.gz NZLISILUGQDXEJ-WCQYABFASA-N 1 0 367.471 2.738 20 5 FFBDRO CN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285372765 510881270 /nfs/dbraw/zinc/88/12/70/510881270.db2.gz CGDLLDKSYJROMV-MZBDJJRSSA-N 1 0 357.414 2.702 20 5 FFBDRO C[NH+](C)CCOc1cc(CNc2ncc(Cl)cc2[N+](=O)[O-])ccn1 ZINC000270548940 510904001 /nfs/dbraw/zinc/90/40/01/510904001.db2.gz ATGLJCBSYSELHR-UHFFFAOYSA-N 1 0 351.794 2.591 20 5 FFBDRO Cn1cc([N+](=O)[O-])c(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)n1 ZINC000270746461 510971390 /nfs/dbraw/zinc/97/13/90/510971390.db2.gz BCVGMCOZHRFGIK-UHFFFAOYSA-N 1 0 371.441 2.634 20 5 FFBDRO Cc1cccc(C(=O)N2CCC(N3CC[NH+](C(C)C)CC3)CC2)c1[N+](=O)[O-] ZINC000270932736 511029198 /nfs/dbraw/zinc/02/91/98/511029198.db2.gz QKGPPFYYRCWNNN-UHFFFAOYSA-N 1 0 374.485 2.534 20 5 FFBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000279288561 511032193 /nfs/dbraw/zinc/03/21/93/511032193.db2.gz MDFOMBQMZIJHLJ-KGLIPLIRSA-N 1 0 355.797 2.673 20 5 FFBDRO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000361581068 511069521 /nfs/dbraw/zinc/06/95/21/511069521.db2.gz GRXUSNQNFAUJAI-QGZVFWFLSA-N 1 0 372.469 2.895 20 5 FFBDRO CC(C)CN(C(=O)c1cc([N+](=O)[O-])c(F)cc1N)C1CC[NH+](C)CC1 ZINC000279483098 511099304 /nfs/dbraw/zinc/09/93/04/511099304.db2.gz QYIWQFZEUAUWGP-UHFFFAOYSA-N 1 0 352.410 2.509 20 5 FFBDRO C[C@@H]1CN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000362077897 511128220 /nfs/dbraw/zinc/12/82/20/511128220.db2.gz KMUVLQZHZQQRQZ-PBHICJAKSA-N 1 0 366.893 2.706 20 5 FFBDRO COCCCN(C(=O)c1cc([N+](=O)[O-])cc(C)c1F)C1CC[NH+](C)CC1 ZINC000291370197 511168542 /nfs/dbraw/zinc/16/85/42/511168542.db2.gz CWVFPEZUMOBHCN-UHFFFAOYSA-N 1 0 367.421 2.615 20 5 FFBDRO CC(=O)Nc1cccc(OCC[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000294763074 511169631 /nfs/dbraw/zinc/16/96/31/511169631.db2.gz MQIJRAIHJSQGFA-LBPRGKRZSA-N 1 0 358.398 2.865 20 5 FFBDRO COCCOC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCOCC1 ZINC000294863378 511201537 /nfs/dbraw/zinc/20/15/37/511201537.db2.gz UBEREMOZCAEQJK-UHFFFAOYSA-N 1 0 358.822 2.550 20 5 FFBDRO COC(=O)CCn1nc(C)c(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c1C ZINC000283020413 511202315 /nfs/dbraw/zinc/20/23/15/511202315.db2.gz MFKOXZKBSIDQDA-UHFFFAOYSA-N 1 0 374.441 2.646 20 5 FFBDRO CCc1n[nH]c(C(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000283052128 511214837 /nfs/dbraw/zinc/21/48/37/511214837.db2.gz VXNCIIMQKDUREH-ZDUSSCGKSA-N 1 0 365.821 2.566 20 5 FFBDRO Cn1c(Sc2nc3ccccc3cc2[N+](=O)[O-])nnc1C1CC[NH2+]CC1 ZINC000365031355 511216187 /nfs/dbraw/zinc/21/61/87/511216187.db2.gz WSXUXUYURSRKIY-UHFFFAOYSA-N 1 0 370.438 2.890 20 5 FFBDRO Cn1cc([C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3)CC23CCOCC3)cn1 ZINC000294943764 511229107 /nfs/dbraw/zinc/22/91/07/511229107.db2.gz HBJFTYCCRQWMKZ-GOSISDBHSA-N 1 0 356.426 2.725 20 5 FFBDRO O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCCC[C@H]1CCC[NH2+]1 ZINC000294950578 511232745 /nfs/dbraw/zinc/23/27/45/511232745.db2.gz VXEKYVITMNACNM-MRXNPFEDSA-N 1 0 363.461 2.803 20 5 FFBDRO Cc1nc(N2CCC[C@H]([N@H+](C)Cc3ccccn3)CC2)ncc1[N+](=O)[O-] ZINC000295044419 511262205 /nfs/dbraw/zinc/26/22/05/511262205.db2.gz OBUNIEMBBZLDLK-INIZCTEOSA-N 1 0 356.430 2.579 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](CCO)c1ccccc1 ZINC000271653783 511275977 /nfs/dbraw/zinc/27/59/77/511275977.db2.gz JUMYCSVAXNDQFN-KRWDZBQOSA-N 1 0 357.410 2.945 20 5 FFBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000295088311 511277488 /nfs/dbraw/zinc/27/74/88/511277488.db2.gz JDZYRORQHMZNSO-HNNXBMFYSA-N 1 0 361.442 2.652 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](Cc2cnn(C)c2)C1 ZINC000363135517 511375123 /nfs/dbraw/zinc/37/51/23/511375123.db2.gz VTAFPKCPRBAHJN-OAHLLOKOSA-N 1 0 371.441 2.530 20 5 FFBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H]2COC3(CCOCC3)O2)cc1[N+](=O)[O-] ZINC000272076478 511423718 /nfs/dbraw/zinc/42/37/18/511423718.db2.gz VSWLLZMVPMTJSR-DZGCQCFKSA-N 1 0 366.414 2.566 20 5 FFBDRO O=C(C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)NCC(F)F ZINC000280358086 511435353 /nfs/dbraw/zinc/43/53/53/511435353.db2.gz SVPGCRKTLADYLW-UHFFFAOYSA-N 1 0 355.366 2.794 20 5 FFBDRO C[C@H]1CN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC[N@@H+](C2CCC2)C1 ZINC000292109564 511467449 /nfs/dbraw/zinc/46/74/49/511467449.db2.gz GWXJTCIQSPCILP-AWEZNQCLSA-N 1 0 371.441 2.951 20 5 FFBDRO CCOc1cc(C[NH2+][C@H](C(N)=O)[C@H](C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000292152782 511485530 /nfs/dbraw/zinc/48/55/30/511485530.db2.gz KHZNKVFTJLKMFZ-ACJLOTCBSA-N 1 0 357.410 2.741 20 5 FFBDRO C[C@H](NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])C1=CC[N@H+](C)CC1 ZINC000295697530 511486995 /nfs/dbraw/zinc/48/69/95/511486995.db2.gz IXJHZUKYRZDBJP-JTQLQIEISA-N 1 0 357.332 2.994 20 5 FFBDRO O=C(CC[N@@H+]1CCOC[C@H](C2CCC2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000292157528 511486978 /nfs/dbraw/zinc/48/69/78/511486978.db2.gz OFUIDWOUBKMORZ-CQSZACIVSA-N 1 0 365.405 2.811 20 5 FFBDRO O=C(C[NH+]1CCC2(CCC(O)CC2)CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000295780099 511513572 /nfs/dbraw/zinc/51/35/72/511513572.db2.gz UFUZAASBBNBBDT-UHFFFAOYSA-N 1 0 373.453 2.501 20 5 FFBDRO CN(C)c1cc(F)c(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1[N+](=O)[O-] ZINC000295783005 511514652 /nfs/dbraw/zinc/51/46/52/511514652.db2.gz ROURBBXEUFPQNE-UHFFFAOYSA-N 1 0 366.437 2.839 20 5 FFBDRO Cn1ccnc1[C@@H]1N(C(=O)c2cc(F)c([N+](=O)[O-])cc2F)CC1(C)C ZINC000295947145 511564895 /nfs/dbraw/zinc/56/48/95/511564895.db2.gz QOKKWOFQZYMYQE-ZDUSSCGKSA-N 1 0 350.325 2.830 20 5 FFBDRO COC(=O)[C@@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@H]1c1ccc(O)cc1 ZINC000295946853 511565053 /nfs/dbraw/zinc/56/50/53/511565053.db2.gz GTQHATIMDZZVLX-DLBZAZTESA-N 1 0 356.378 2.689 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000363582747 511640247 /nfs/dbraw/zinc/64/02/47/511640247.db2.gz KFJDCFBVTZACGN-CYBMUJFWSA-N 1 0 373.413 2.535 20 5 FFBDRO O=C(CC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)Nc1cc([N+](=O)[O-])ccc1F ZINC000296168855 511642820 /nfs/dbraw/zinc/64/28/20/511642820.db2.gz UWVGATPUBSSICT-CSMYWGQOSA-N 1 0 363.389 2.610 20 5 FFBDRO C[NH+](C)CC1(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)CCC1 ZINC000281084957 511714318 /nfs/dbraw/zinc/71/43/18/511714318.db2.gz OHHLPFMTEOOBLW-UHFFFAOYSA-N 1 0 363.461 2.755 20 5 FFBDRO C[C@H]([NH2+][C@@H]1CCN(C)[C@@H]1c1ccccc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000284417806 511714927 /nfs/dbraw/zinc/71/49/27/511714927.db2.gz XRQWWNJLTSHVJB-POZUXBRTSA-N 1 0 368.437 2.957 20 5 FFBDRO Cc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)[NH+]2CCCC2)cc1 ZINC000302997225 511722588 /nfs/dbraw/zinc/72/25/88/511722588.db2.gz GUHWTZIIHHJLFP-KRWDZBQOSA-N 1 0 370.409 2.571 20 5 FFBDRO O=C1N[C@H]2CC[N@@H+](Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)C[C@@H]2CO1 ZINC000281143032 511736038 /nfs/dbraw/zinc/73/60/38/511736038.db2.gz DWOMDPINNCDQDB-CJNGLKHVSA-N 1 0 357.366 2.785 20 5 FFBDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000303477332 511739784 /nfs/dbraw/zinc/73/97/84/511739784.db2.gz PDQIGOWMECIXFC-AWEZNQCLSA-N 1 0 369.487 2.774 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)CCOc2cc(C)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000281157886 511741745 /nfs/dbraw/zinc/74/17/45/511741745.db2.gz CHELTEWVFGWGKW-JKSUJKDBSA-N 1 0 363.458 2.861 20 5 FFBDRO Cn1ccnc1[C@@H]1N(C(=O)NCCc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000296506911 511771891 /nfs/dbraw/zinc/77/18/91/511771891.db2.gz OIKDQHPUJGMXDC-HNNXBMFYSA-N 1 0 357.414 2.664 20 5 FFBDRO CN(C)C(=O)O[C@H]1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000296521050 511779409 /nfs/dbraw/zinc/77/94/09/511779409.db2.gz AHXOHPHHEDHEBU-HNNXBMFYSA-N 1 0 360.370 2.522 20 5 FFBDRO O=C(NC1CC[NH+](C2CC2)CC1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000292997477 511800507 /nfs/dbraw/zinc/80/05/07/511800507.db2.gz HBXTYABFSZTXPM-UHFFFAOYSA-N 1 0 357.332 2.970 20 5 FFBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)CCOc2cc(C)ccc2[N+](=O)[O-])C1 ZINC000281447642 511851145 /nfs/dbraw/zinc/85/11/45/511851145.db2.gz DYQYKCQBTIHZIA-MRXNPFEDSA-N 1 0 363.458 2.862 20 5 FFBDRO C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cn2)CC[N@@H+]1Cc1ccccc1 ZINC000366199076 511895764 /nfs/dbraw/zinc/89/57/64/511895764.db2.gz GKZBWHACVKFNKU-GDBMZVCRSA-N 1 0 354.410 2.773 20 5 FFBDRO C[C@H](NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285084404 511993710 /nfs/dbraw/zinc/99/37/10/511993710.db2.gz JSLALKCJHCMMPG-SOVGHPHASA-N 1 0 362.474 2.596 20 5 FFBDRO COc1ccc([C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)C[C@H]2[NH3+])cc1F ZINC000297113974 512025300 /nfs/dbraw/zinc/02/53/00/512025300.db2.gz GAWINYXWQVKENX-NVXWUHKLSA-N 1 0 373.384 2.700 20 5 FFBDRO O=C(NCc1ccc2c[nH+]cn2c1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000297119014 512026660 /nfs/dbraw/zinc/02/66/60/512026660.db2.gz GYKSFSRAVWSHQK-UHFFFAOYSA-N 1 0 365.393 2.773 20 5 FFBDRO C[C@@]1([NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCO[C@H]1C1CC1 ZINC000364235808 512036008 /nfs/dbraw/zinc/03/60/08/512036008.db2.gz RURYPZAXKDKMCP-DLBZAZTESA-N 1 0 351.378 2.610 20 5 FFBDRO C[N@@H+]1CCCC[C@@H]1CN1CCN(c2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000297143036 512036022 /nfs/dbraw/zinc/03/60/22/512036022.db2.gz NTMSYWZUSXDQFB-GOSISDBHSA-N 1 0 369.469 2.749 20 5 FFBDRO [NH3+]CC[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C1 ZINC000282015109 512046196 /nfs/dbraw/zinc/04/61/96/512046196.db2.gz RQTISJKMQFGIAX-HNNXBMFYSA-N 1 0 360.458 2.786 20 5 FFBDRO [NH3+]CC[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C1 ZINC000282015114 512046835 /nfs/dbraw/zinc/04/68/35/512046835.db2.gz RQTISJKMQFGIAX-OAHLLOKOSA-N 1 0 360.458 2.786 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)c1 ZINC000293715925 512060871 /nfs/dbraw/zinc/06/08/71/512060871.db2.gz OXERXWKTKHRNKG-AWEZNQCLSA-N 1 0 361.442 2.940 20 5 FFBDRO C[N@H+](CCC(=O)Nc1cc(N)ccc1F)CCc1ccccc1[N+](=O)[O-] ZINC000285301740 512070382 /nfs/dbraw/zinc/07/03/82/512070382.db2.gz LGAUSJVEPGTYGT-UHFFFAOYSA-N 1 0 360.389 2.819 20 5 FFBDRO CC(C)(C[NH+]1CCCC1)NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000411082518 512463910 /nfs/dbraw/zinc/46/39/10/512463910.db2.gz BGGCBRBVSWZEEA-UHFFFAOYSA-N 1 0 357.357 2.800 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(c2nnc3n2CCC3)CC1 ZINC000373721471 512472679 /nfs/dbraw/zinc/47/26/79/512472679.db2.gz UFKOLQOLMGIEOI-UHFFFAOYSA-N 1 0 357.414 2.521 20 5 FFBDRO CCOc1cc(C[N@@H+]2CCOC3(CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000373802007 512512632 /nfs/dbraw/zinc/51/26/32/512512632.db2.gz VIPPHJXRJGMPLQ-UHFFFAOYSA-N 1 0 350.415 2.765 20 5 FFBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000375868798 512546130 /nfs/dbraw/zinc/54/61/30/512546130.db2.gz GXWOVWQCZMCERP-GOEBONIOSA-N 1 0 354.410 2.881 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C[C@@H](C)OC)C(C)C ZINC000411282247 512560229 /nfs/dbraw/zinc/56/02/29/512560229.db2.gz IRJZBYOYGLUURE-CYBMUJFWSA-N 1 0 353.419 2.677 20 5 FFBDRO O=C1[C@H]([N@@H+]2CCCC3(CCOCC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000375907744 512564969 /nfs/dbraw/zinc/56/49/69/512564969.db2.gz TZKPHQVTTCXOAY-QGZVFWFLSA-N 1 0 359.426 2.593 20 5 FFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000369708256 512565672 /nfs/dbraw/zinc/56/56/72/512565672.db2.gz AQFLDBIPRADGPC-MRXNPFEDSA-N 1 0 354.410 2.645 20 5 FFBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC(c3nc(-c4ccccc4)no3)CC2)c1 ZINC000371843839 512600225 /nfs/dbraw/zinc/60/02/25/512600225.db2.gz DITAYYVVIKTVJE-UHFFFAOYSA-N 1 0 368.397 2.721 20 5 FFBDRO Cn1cnc([N+](=O)[O-])c1CN1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000374067908 512647368 /nfs/dbraw/zinc/64/73/68/512647368.db2.gz UCSRKBKXLJJJDH-FQEVSTJZSA-N 1 0 369.469 2.816 20 5 FFBDRO C[C@@]1(CNC(=O)c2c(N)cccc2[N+](=O)[O-])CC[N@H+](Cc2ccccc2)C1 ZINC000374162082 512686024 /nfs/dbraw/zinc/68/60/24/512686024.db2.gz LNHZWTOAZMTGNQ-FQEVSTJZSA-N 1 0 368.437 2.819 20 5 FFBDRO C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCC[N@@H+]2CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000374169846 512690467 /nfs/dbraw/zinc/69/04/67/512690467.db2.gz GURCWZVDKSGFST-DEICHXMPSA-N 1 0 361.442 2.795 20 5 FFBDRO Cn1ncc2c1CCC[C@H]2[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000374211261 512708791 /nfs/dbraw/zinc/70/87/91/512708791.db2.gz MZOSNIBJUNAPNN-OAHLLOKOSA-N 1 0 357.414 2.666 20 5 FFBDRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000376211098 512712701 /nfs/dbraw/zinc/71/27/01/512712701.db2.gz OTYHLNLGGWQOSU-AGUYFDCRSA-N 1 0 367.833 2.888 20 5 FFBDRO C[C@H]1CN(c2ccc([N+](=O)[O-])c3cnccc32)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000374314693 512761254 /nfs/dbraw/zinc/76/12/54/512761254.db2.gz XBTLZZLCGCUUEN-MAUKXSAKSA-N 1 0 369.469 2.605 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@H](c3ccc(F)cc3)CC2)c1 ZINC000378491502 512788971 /nfs/dbraw/zinc/78/89/71/512788971.db2.gz GXSVOIRQMMANJA-KSSFIOAISA-N 1 0 362.405 2.561 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000378500223 512792803 /nfs/dbraw/zinc/79/28/03/512792803.db2.gz WQIZPYJOUKKORH-XJKSGUPXSA-N 1 0 354.410 2.747 20 5 FFBDRO COC(=O)[C@]1(C)C[N@@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1C ZINC000374373649 512797794 /nfs/dbraw/zinc/79/77/94/512797794.db2.gz IVEGPSZFKWUCFZ-SEDUGSJDSA-N 1 0 374.397 2.837 20 5 FFBDRO COc1ccc(NC(=O)CC[N@@H+]2CCSC[C@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000411783214 512809241 /nfs/dbraw/zinc/80/92/41/512809241.db2.gz FNAPVHFLQGCUJX-INIZCTEOSA-N 1 0 365.455 2.759 20 5 FFBDRO CO[C@H]1c2ccccc2C[C@H]1[NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411898352 512867058 /nfs/dbraw/zinc/86/70/58/512867058.db2.gz YTXSMEJBVGKXQK-PJSAGSTRSA-N 1 0 355.394 2.824 20 5 FFBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000376567787 512877583 /nfs/dbraw/zinc/87/75/83/512877583.db2.gz AHFZDWCUEVOEAQ-DOMZBBRYSA-N 1 0 353.369 2.772 20 5 FFBDRO O=[N+]([O-])c1ccc2[nH]c(=NC[C@H]3CC[N@H+](Cc4ccccc4)C3)[nH]c2c1 ZINC000388556243 512896289 /nfs/dbraw/zinc/89/62/89/512896289.db2.gz YLDJMBLOMDMQDI-OAHLLOKOSA-N 1 0 351.410 2.827 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H](Oc2ccccc2)C1 ZINC000411990258 512903565 /nfs/dbraw/zinc/90/35/65/512903565.db2.gz VPJPSPBYSVWPAL-WMZOPIPTSA-N 1 0 372.421 2.878 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H](C)[N@H+](C)Cc2ccccc2)n1 ZINC000390491312 512907005 /nfs/dbraw/zinc/90/70/05/512907005.db2.gz QNJHILDZBRSTLX-ZDUSSCGKSA-N 1 0 358.398 2.709 20 5 FFBDRO C[C@H]1CN(c2nc3ccccc3cc2[N+](=O)[O-])CC[C@H]1[NH+]1CCN(C)CC1 ZINC000370446382 512939357 /nfs/dbraw/zinc/93/93/57/512939357.db2.gz CYYYSMVSIASOJN-MAUKXSAKSA-N 1 0 369.469 2.605 20 5 FFBDRO COc1cc(C[N@@H+]2CCC[C@@H](CO)[C@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000412074661 512945394 /nfs/dbraw/zinc/94/53/94/512945394.db2.gz IOZDLDAEMQODJV-NEPJUHHUSA-N 1 0 374.384 2.840 20 5 FFBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000372616825 512971133 /nfs/dbraw/zinc/97/11/33/512971133.db2.gz FJLPECHTZNHDEG-TZMCWYRMSA-N 1 0 366.849 2.745 20 5 FFBDRO CC(=O)c1cc(NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000368542257 512993358 /nfs/dbraw/zinc/99/33/58/512993358.db2.gz CKACEVGSRKPSSH-ROUUACIJSA-N 1 0 369.421 2.845 20 5 FFBDRO C[NH+](C)CCOc1cc(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)ccn1 ZINC000412226362 513003404 /nfs/dbraw/zinc/00/34/04/513003404.db2.gz GTZFQZCTFNCZAI-DLBZAZTESA-N 1 0 370.409 2.672 20 5 FFBDRO O=C(CC[N@@H+]1CC[C@H](Cc2ccncc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000368621177 513029770 /nfs/dbraw/zinc/02/97/70/513029770.db2.gz HWMKKVICYKNIOC-MRXNPFEDSA-N 1 0 354.410 2.883 20 5 FFBDRO [NH3+]C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)CCO1 ZINC000376941722 513059561 /nfs/dbraw/zinc/05/95/61/513059561.db2.gz SFWDQBXLFVBXGT-CQSZACIVSA-N 1 0 373.434 2.546 20 5 FFBDRO C[C@@H](CNC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1)[NH+](C)C ZINC000412381949 513059986 /nfs/dbraw/zinc/05/99/86/513059986.db2.gz AXWRYJNSGIOINR-KFWWJZLASA-N 1 0 362.474 2.757 20 5 FFBDRO C[C@@H]1CN(C/C=C/c2ccccc2[N+](=O)[O-])CC[C@H]1[NH+]1CCN(C)CC1 ZINC000370705134 513061760 /nfs/dbraw/zinc/06/17/60/513061760.db2.gz DZXSOFJFPAQGJB-YVNZRUEQSA-N 1 0 358.486 2.566 20 5 FFBDRO C[C@H](CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)[N@@H+]1CCC[C@H](C)C1 ZINC000445887809 513139122 /nfs/dbraw/zinc/13/91/22/513139122.db2.gz UTXNTDQZZXHQOK-LSDHHAIUSA-N 1 0 360.458 2.783 20 5 FFBDRO CC(C)[C@@H](CC(F)(F)F)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000445903361 513143371 /nfs/dbraw/zinc/14/33/71/513143371.db2.gz LANCQLDUPXTXHR-CYBMUJFWSA-N 1 0 368.377 2.935 20 5 FFBDRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000412567668 513167212 /nfs/dbraw/zinc/16/72/12/513167212.db2.gz ZWWJIPSHUFNZEA-UHFFFAOYSA-N 1 0 359.382 2.796 20 5 FFBDRO Cc1ccc(NCCCNC(=O)N2CCCC[C@H]2[C@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000417714714 513177930 /nfs/dbraw/zinc/17/79/30/513177930.db2.gz IUBBNDNSTCKEKG-HOCLYGCPSA-N 1 0 363.462 2.617 20 5 FFBDRO C[C@@H]1CN(c2nccc3cc([N+](=O)[O-])ccc32)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000450404050 513179688 /nfs/dbraw/zinc/17/96/88/513179688.db2.gz BTJDDZVJDVYPRB-DNVCBOLYSA-N 1 0 369.469 2.605 20 5 FFBDRO Cc1cc(NC(=O)CCc2cccc([N+](=O)[O-])c2)n(C2CC[NH+](C)CC2)n1 ZINC000446210610 513210497 /nfs/dbraw/zinc/21/04/97/513210497.db2.gz MDAFWTKJTBLGIJ-UHFFFAOYSA-N 1 0 371.441 2.938 20 5 FFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[N@@H+]([C@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000428997150 513246920 /nfs/dbraw/zinc/24/69/20/513246920.db2.gz RYVYKWQUXBKSLB-FSZRXZPDSA-N 1 0 360.458 2.584 20 5 FFBDRO CCc1ccccc1[C@H]([NH3+])CNC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000415436512 513260873 /nfs/dbraw/zinc/26/08/73/513260873.db2.gz JYUWXJUTTLPZKZ-OAHLLOKOSA-N 1 0 358.398 2.987 20 5 FFBDRO COc1ccc(NC(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)cc1[N+](=O)[O-] ZINC000415448011 513266254 /nfs/dbraw/zinc/26/62/54/513266254.db2.gz UVLBRUDNLZDHIR-UHFFFAOYSA-N 1 0 374.441 2.879 20 5 FFBDRO O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000415451464 513267063 /nfs/dbraw/zinc/26/70/63/513267063.db2.gz XGTYTOPHLQVDFH-KOLCDFICSA-N 1 0 358.320 2.972 20 5 FFBDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)cc2C)C1 ZINC000421497265 513285456 /nfs/dbraw/zinc/28/54/56/513285456.db2.gz HBNKCVVIPKZUIL-INIZCTEOSA-N 1 0 363.458 2.785 20 5 FFBDRO [NH3+]C1(CNC(=O)NCCc2cccc([N+](=O)[O-])c2)C2CC3CC(C2)CC1C3 ZINC000417943191 513295252 /nfs/dbraw/zinc/29/52/52/513295252.db2.gz OLOBAMLPRPFURD-UHFFFAOYSA-N 1 0 372.469 2.590 20 5 FFBDRO C[C@]1(c2ccccc2)CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000446724218 513323803 /nfs/dbraw/zinc/32/38/03/513323803.db2.gz YOYRUSUELMFLGY-ICSRJNTNSA-N 1 0 356.422 2.998 20 5 FFBDRO CSC[C@H]1CCC[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000429279144 513323921 /nfs/dbraw/zinc/32/39/21/513323921.db2.gz KJRCMQTUKAIPOS-ZDUSSCGKSA-N 1 0 365.455 2.968 20 5 FFBDRO CC(C)[C@](C)(C[NH3+])NC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000429280102 513324100 /nfs/dbraw/zinc/32/41/00/513324100.db2.gz WZFUZVKEOMELJJ-KUHUBIRLSA-N 1 0 362.474 2.934 20 5 FFBDRO CCc1cc(N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000450775660 513334986 /nfs/dbraw/zinc/33/49/86/513334986.db2.gz BLJSOKXCDKDSIN-WMLDXEAASA-N 1 0 353.426 2.755 20 5 FFBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H]2Cc3cccc(O)c3C2)cccc1[N+](=O)[O-] ZINC000429312626 513336006 /nfs/dbraw/zinc/33/60/06/513336006.db2.gz PJIGRJNKGOWWMB-GXTWGEPZSA-N 1 0 355.394 2.693 20 5 FFBDRO COC(=O)c1n[nH]c2c1CN(c1cc(C)[nH+]c3ccc([N+](=O)[O-])cc31)CC2 ZINC000450819489 513355716 /nfs/dbraw/zinc/35/57/16/513355716.db2.gz KXPMRBFDUDIBAA-UHFFFAOYSA-N 1 0 367.365 2.524 20 5 FFBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000418092524 513369186 /nfs/dbraw/zinc/36/91/86/513369186.db2.gz RMJJHEXDKHGVPL-CABZTGNLSA-N 1 0 360.336 2.540 20 5 FFBDRO Cc1c(NC(=O)N[C@@H]2CC[NH2+]C2(C)C)cc(Br)cc1[N+](=O)[O-] ZINC000415666676 513369861 /nfs/dbraw/zinc/36/98/61/513369861.db2.gz XDHMVTYRUAFWRT-GFCCVEGCSA-N 1 0 371.235 2.928 20 5 FFBDRO CC(C)[C@@H](c1ccc(F)cc1)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000434622514 513370687 /nfs/dbraw/zinc/37/06/87/513370687.db2.gz FLGCVAHFCWFMNS-IRXDYDNUSA-N 1 0 350.394 2.620 20 5 FFBDRO COc1ccc(OCC[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)c([N+](=O)[O-])c1 ZINC000450859050 513371328 /nfs/dbraw/zinc/37/13/28/513371328.db2.gz LRSNZDUUEBFRKV-OLMNPRSZSA-N 1 0 362.426 2.920 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000450864453 513373243 /nfs/dbraw/zinc/37/32/43/513373243.db2.gz QZKSDYJZGKSZCO-XWIAVFTESA-N 1 0 359.426 2.779 20 5 FFBDRO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000415702865 513389347 /nfs/dbraw/zinc/38/93/47/513389347.db2.gz QCGZEBZGFIIRQT-LBPRGKRZSA-N 1 0 369.219 2.716 20 5 FFBDRO C[C@@H]1C[NH+](CCCNc2ncc([N+](=O)[O-])cc2C(F)(F)F)C[C@@H](C)O1 ZINC000413034537 513397716 /nfs/dbraw/zinc/39/77/16/513397716.db2.gz BHLMKVMSHFHMIZ-GHMZBOCLSA-N 1 0 362.352 2.920 20 5 FFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCCC[NH2+]Cc1cccnc1 ZINC000415769685 513417892 /nfs/dbraw/zinc/41/78/92/513417892.db2.gz XOINMBLPTROPPA-UHFFFAOYSA-N 1 0 357.414 2.854 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000421787626 513427551 /nfs/dbraw/zinc/42/75/51/513427551.db2.gz QCPFEFNLGKJRHQ-HZPDHXFCSA-N 1 0 363.458 2.831 20 5 FFBDRO C[NH2+]Cc1cccc(NC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000415931606 513486390 /nfs/dbraw/zinc/48/63/90/513486390.db2.gz MKOVNMHENQJUEA-UHFFFAOYSA-N 1 0 356.382 2.741 20 5 FFBDRO Cc1cc(N2CCC[C@H]3C[N@@H+](C)C[C@H]32)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000425282294 513489826 /nfs/dbraw/zinc/48/98/26/513489826.db2.gz KLHFDEOCAVMCQO-DOTOQJQBSA-N 1 0 353.426 2.891 20 5 FFBDRO O=C(NCCNc1ccc([N+](=O)[O-])cc1)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000415953113 513496892 /nfs/dbraw/zinc/49/68/92/513496892.db2.gz IDCVHMXZOCLAHR-UHFFFAOYSA-N 1 0 373.388 2.613 20 5 FFBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000415956691 513498785 /nfs/dbraw/zinc/49/87/85/513498785.db2.gz OMENSXQAPDXMJB-UHFFFAOYSA-N 1 0 358.373 2.744 20 5 FFBDRO Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H]([C@H]3CCOC3)C2)cccc1[N+](=O)[O-] ZINC000441193827 513509640 /nfs/dbraw/zinc/50/96/40/513509640.db2.gz IAIWETVOMLRVAV-CVEARBPZSA-N 1 0 361.442 2.980 20 5 FFBDRO Cn1nc(CC[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c2ccccc21 ZINC000447593121 513517408 /nfs/dbraw/zinc/51/74/08/513517408.db2.gz PZSYIKUGASEQFN-SJLPKXTDSA-N 1 0 368.441 2.994 20 5 FFBDRO CCC(CC)(C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)C(=O)OC ZINC000447592580 513517588 /nfs/dbraw/zinc/51/75/88/513517588.db2.gz MNKZHMLDEZEIJS-UONOGXRCSA-N 1 0 352.435 2.844 20 5 FFBDRO C[C@H]([NH2+]CC(=O)NCCCN(C)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000451098820 513519285 /nfs/dbraw/zinc/51/92/85/513519285.db2.gz IYVBBRFVTZEGBP-INIZCTEOSA-N 1 0 370.453 2.888 20 5 FFBDRO COc1ccc(COC[C@@H](O)C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000451101807 513521812 /nfs/dbraw/zinc/52/18/12/513521812.db2.gz AGCMDYRRRMHXKA-KSSFIOAISA-N 1 0 360.410 2.832 20 5 FFBDRO C[C@H]1CN(c2ccc([N+](=O)[O-])c3ncccc23)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000413211163 513523785 /nfs/dbraw/zinc/52/37/85/513523785.db2.gz HMEPURXIFSMFOW-RDJZCZTQSA-N 1 0 369.469 2.605 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000441278284 513527661 /nfs/dbraw/zinc/52/76/61/513527661.db2.gz PHUJRZARBXGRFP-CVEARBPZSA-N 1 0 361.442 2.980 20 5 FFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000416008363 513534378 /nfs/dbraw/zinc/53/43/78/513534378.db2.gz NUHNGJFBOPSCEX-CYBMUJFWSA-N 1 0 362.352 2.795 20 5 FFBDRO O=[N+]([O-])c1ccc2[nH]c(=NCC3CCN(c4cc[nH+]cc4)CC3)[nH]c2c1 ZINC000447688094 513543318 /nfs/dbraw/zinc/54/33/18/513543318.db2.gz FPXTZULKMIHYAH-UHFFFAOYSA-N 1 0 352.398 2.617 20 5 FFBDRO CC(C)(NC(=O)NCc1ccc2c(c1)C[NH2+]C2)c1ccccc1[N+](=O)[O-] ZINC000418587899 513568239 /nfs/dbraw/zinc/56/82/39/513568239.db2.gz RLNBEVCXFUGBCH-UHFFFAOYSA-N 1 0 354.410 2.933 20 5 FFBDRO Cc1cc(OCC(=O)Nc2cccc(OCC[NH+](C)C)c2)ccc1[N+](=O)[O-] ZINC000430395009 513643734 /nfs/dbraw/zinc/64/37/34/513643734.db2.gz DHEYDOZEOKWDSV-UHFFFAOYSA-N 1 0 373.409 2.861 20 5 FFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000418784459 513656291 /nfs/dbraw/zinc/65/62/91/513656291.db2.gz GIZQQMYRHCTXRA-BRWVUGGUSA-N 1 0 360.458 2.903 20 5 FFBDRO COc1ccc(OCC[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)c([N+](=O)[O-])c1 ZINC000451339695 513687012 /nfs/dbraw/zinc/68/70/12/513687012.db2.gz IWEKXYVQTYSJTD-LZLYRXPVSA-N 1 0 364.442 2.998 20 5 FFBDRO C[NH+]1CCC(NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)CC1 ZINC000435813344 513689424 /nfs/dbraw/zinc/68/94/24/513689424.db2.gz HAUSOBHQTJZOLY-UHFFFAOYSA-N 1 0 353.397 2.644 20 5 FFBDRO CC1CCN(c2ccc(C(=O)NCC3([NH+](C)C)CC3)cc2[N+](=O)[O-])CC1 ZINC000416290127 513693635 /nfs/dbraw/zinc/69/36/35/513693635.db2.gz LFXYDHAQBPLQQP-UHFFFAOYSA-N 1 0 360.458 2.655 20 5 FFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000430626523 513706518 /nfs/dbraw/zinc/70/65/18/513706518.db2.gz LMDUTTNTFDFARP-IUODEOHRSA-N 1 0 351.472 2.970 20 5 FFBDRO CC1(C)[C@H]([NH2+]Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@H]2CCCO[C@@H]21 ZINC000451477797 513775472 /nfs/dbraw/zinc/77/54/72/513775472.db2.gz IWMCWCUFFJZBNI-BMFZPTHFSA-N 1 0 358.398 2.938 20 5 FFBDRO O=C1CCN1c1cccc(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000442827181 513788234 /nfs/dbraw/zinc/78/82/34/513788234.db2.gz YRIUANKKLYPLFN-IRXDYDNUSA-N 1 0 369.425 2.802 20 5 FFBDRO CO[C@@H]1[C@@H](C)[C@H]([NH2+]CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1(C)C ZINC000451499105 513790007 /nfs/dbraw/zinc/79/00/07/513790007.db2.gz LMZCWCFTWHJHDR-ULKVUYOBSA-N 1 0 355.822 2.836 20 5 FFBDRO CN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C(C)(C)C[NH+]1CCCC1 ZINC000419378970 513793615 /nfs/dbraw/zinc/79/36/15/513793615.db2.gz SNPVRTDQCHQDGI-UHFFFAOYSA-N 1 0 359.430 2.951 20 5 FFBDRO CCO[C@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C[C@@H]1C ZINC000451540408 513819646 /nfs/dbraw/zinc/81/96/46/513819646.db2.gz KWARWSLLMSQAOD-BBRMVZONSA-N 1 0 365.430 2.679 20 5 FFBDRO O=C(C[NH2+][C@@H]([C@@H](CO)C1CC1)C1CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000451606914 513862461 /nfs/dbraw/zinc/86/24/61/513862461.db2.gz MGNYHAOOOVKLEX-SUMWQHHRSA-N 1 0 367.833 2.573 20 5 FFBDRO CC(C)C[C@@H](C[NH+]1CCCC1)NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000451653877 513891512 /nfs/dbraw/zinc/89/15/12/513891512.db2.gz UBIHVBGCDZQDKS-INIZCTEOSA-N 1 0 369.487 2.525 20 5 FFBDRO COc1c[nH+]ccc1N1CCN(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000431425816 513896367 /nfs/dbraw/zinc/89/63/67/513896367.db2.gz HCSKWVZGQPKBSW-UHFFFAOYSA-N 1 0 371.397 2.661 20 5 FFBDRO Cc1cc(OCC(=O)NC[C@H](C2CCCCC2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000431569716 513933324 /nfs/dbraw/zinc/93/33/24/513933324.db2.gz JOXMZLTYABFNPO-GOSISDBHSA-N 1 0 363.458 2.909 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NCC[N@H+](C)C1CCCCC1 ZINC000443381619 513955276 /nfs/dbraw/zinc/95/52/76/513955276.db2.gz HNNXVNNPPVEDDB-UHFFFAOYSA-N 1 0 350.419 2.989 20 5 FFBDRO C[NH+](C)[C@]1(CNC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)CCSC1 ZINC000431687409 513969132 /nfs/dbraw/zinc/96/91/32/513969132.db2.gz XHMDJIBMVHQZGU-KRWDZBQOSA-N 1 0 366.487 2.566 20 5 FFBDRO C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](CO)CC(C)(C)C ZINC000451773997 513972914 /nfs/dbraw/zinc/97/29/14/513972914.db2.gz ARSMAJBKLFGVKD-GFCCVEGCSA-N 1 0 357.838 2.916 20 5 FFBDRO Cc1cc(OCC(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000431832905 514015086 /nfs/dbraw/zinc/01/50/86/514015086.db2.gz MAQKDBCNUDQXLP-LZWOXQAQSA-N 1 0 363.458 2.765 20 5 FFBDRO CCS(=O)(=O)CCC[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000414344379 514057807 /nfs/dbraw/zinc/05/78/07/514057807.db2.gz RKBFAMHYQKUWKH-ZBFHGGJFSA-N 1 0 354.472 2.720 20 5 FFBDRO Cc1ccc(NC(=O)c2ccc(N3C[C@H]4C[NH2+]C[C@H]4C3)c([N+](=O)[O-])c2)cc1 ZINC000420244222 514059214 /nfs/dbraw/zinc/05/92/14/514059214.db2.gz OWUOTAXOSZGIDG-IYBDPMFKSA-N 1 0 366.421 2.811 20 5 FFBDRO [NH3+][C@H]1CCC[C@H](CNc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)C1 ZINC000420288363 514073182 /nfs/dbraw/zinc/07/31/82/514073182.db2.gz SCWGGCNWOBWHFT-HOTGVXAUSA-N 1 0 356.426 2.920 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](Cc1ccccc1)C(=O)N(C)C ZINC000449121174 514079873 /nfs/dbraw/zinc/07/98/73/514079873.db2.gz GHYYQLUAWMQHNZ-YJBOKZPZSA-N 1 0 355.438 2.815 20 5 FFBDRO C[NH2+]CCc1ccccc1C(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000423222087 514083309 /nfs/dbraw/zinc/08/33/09/514083309.db2.gz ZPUGKPYYDHYRQL-UHFFFAOYSA-N 1 0 370.453 2.897 20 5 FFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000423242624 514091151 /nfs/dbraw/zinc/09/11/51/514091151.db2.gz ZCEWCRQNEKDODX-HNNXBMFYSA-N 1 0 355.442 2.833 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCS(=O)(=O)c1ccc(F)cc1 ZINC000449195330 514107558 /nfs/dbraw/zinc/10/75/58/514107558.db2.gz UWTDRXCOCWZOAJ-CYBMUJFWSA-N 1 0 366.414 2.728 20 5 FFBDRO COC(=O)[C@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000452005158 514129175 /nfs/dbraw/zinc/12/91/75/514129175.db2.gz LQKWGCLBVUYQAA-IRXDYDNUSA-N 1 0 370.405 2.862 20 5 FFBDRO CN(C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000437289582 514132875 /nfs/dbraw/zinc/13/28/75/514132875.db2.gz QWAGYKHRRRGRRS-ZDUSSCGKSA-N 1 0 357.332 2.922 20 5 FFBDRO CCC[C@@H]1C[NH2+]CCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000423512128 514157691 /nfs/dbraw/zinc/15/76/91/514157691.db2.gz OFDXXVOHAXNQNS-GFCCVEGCSA-N 1 0 356.220 2.571 20 5 FFBDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000423561879 514170786 /nfs/dbraw/zinc/17/07/86/514170786.db2.gz WEMMWRVAPWACQJ-BDJLRTHQSA-N 1 0 353.397 2.548 20 5 FFBDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000423561886 514170924 /nfs/dbraw/zinc/17/09/24/514170924.db2.gz WEMMWRVAPWACQJ-MEDUHNTESA-N 1 0 353.397 2.548 20 5 FFBDRO COC(=O)[C@@H]1CSCC[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000414580274 514191296 /nfs/dbraw/zinc/19/12/96/514191296.db2.gz JPLRHBRIYBSMRA-ODDCISTRSA-N 1 0 350.440 2.836 20 5 FFBDRO COC(=O)[C@H]1CSCC[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000414580276 514192028 /nfs/dbraw/zinc/19/20/28/514192028.db2.gz JPLRHBRIYBSMRA-XETPBLJFSA-N 1 0 350.440 2.836 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C[C@H]3CCCCN3CCO)o2)c1 ZINC000449394726 514193645 /nfs/dbraw/zinc/19/36/45/514193645.db2.gz OOOPSWRHCKCCNU-QGZVFWFLSA-N 1 0 359.426 2.791 20 5 FFBDRO C[C@H]1CCN(c2c(C(N)=O)cccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000420604076 514197409 /nfs/dbraw/zinc/19/74/09/514197409.db2.gz QZJOZZLUKOXTQG-HNNXBMFYSA-N 1 0 368.437 2.795 20 5 FFBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000452120848 514205654 /nfs/dbraw/zinc/20/56/54/514205654.db2.gz JNTUOKHUXPMVJV-RLFYNMQTSA-N 1 0 373.453 2.746 20 5 FFBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NCCC[C@@H]1CCC[NH2+]1 ZINC000423709214 514208000 /nfs/dbraw/zinc/20/80/00/514208000.db2.gz WCAKVFBPFQQZLR-LBPRGKRZSA-N 1 0 357.863 2.989 20 5 FFBDRO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC[N@@H+](C2CC2)C1 ZINC000452171072 514230391 /nfs/dbraw/zinc/23/03/91/514230391.db2.gz JSPBFZABEANDPR-ZDUSSCGKSA-N 1 0 354.410 2.699 20 5 FFBDRO CCOc1cc(NC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)c([N+](=O)[O-])cc1OCC ZINC000414753877 514275621 /nfs/dbraw/zinc/27/56/21/514275621.db2.gz FHFQSFISFMKIQH-VXGBXAGGSA-N 1 0 366.418 2.784 20 5 FFBDRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000449641013 514276711 /nfs/dbraw/zinc/27/67/11/514276711.db2.gz CGVQCTUVCPLQHQ-DGCLKSJQSA-N 1 0 360.439 2.966 20 5 FFBDRO O=C(N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000423933104 514294121 /nfs/dbraw/zinc/29/41/21/514294121.db2.gz QTTRACCLYHOGER-FUHWJXTLSA-N 1 0 366.421 2.655 20 5 FFBDRO C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(-n2ccnn2)cc1 ZINC000444690333 514294910 /nfs/dbraw/zinc/29/49/10/514294910.db2.gz SAFFNLWEHHYHBK-GFCCVEGCSA-N 1 0 363.381 2.903 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCCS(=O)(=O)C1)CCCC2 ZINC000417331613 514298118 /nfs/dbraw/zinc/29/81/18/514298118.db2.gz MOWWACYZSMBJAO-GUYCJALGSA-N 1 0 352.456 2.777 20 5 FFBDRO C[C@H]1CCCN(c2ccc(C(=O)N[C@@H]3CC[NH2+]CC3(C)C)cc2[N+](=O)[O-])C1 ZINC000449692958 514308261 /nfs/dbraw/zinc/30/82/61/514308261.db2.gz CAFHSKNPJHUYKF-KBXCAEBGSA-N 1 0 374.485 2.949 20 5 FFBDRO C[C@H]1C[N@H+](CCCNc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CCCO1 ZINC000432880947 514311786 /nfs/dbraw/zinc/31/17/86/514311786.db2.gz VPUDIYMMGCYRLG-INIZCTEOSA-N 1 0 370.453 2.992 20 5 FFBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000420830615 514324121 /nfs/dbraw/zinc/32/41/21/514324121.db2.gz AMYDOKYTAAJIDZ-CYBMUJFWSA-N 1 0 374.363 2.849 20 5 FFBDRO COc1ccc([C@H]2CC[NH2+]C[C@@H]2NCc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000414887603 514342007 /nfs/dbraw/zinc/34/20/07/514342007.db2.gz QTGLNCBBPLZNHP-MJGOQNOKSA-N 1 0 359.401 2.978 20 5 FFBDRO COc1ccc([C@H]2CC[NH2+]C[C@H]2NCc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000414887600 514343046 /nfs/dbraw/zinc/34/30/46/514343046.db2.gz QTGLNCBBPLZNHP-IEBWSBKVSA-N 1 0 359.401 2.978 20 5 FFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000424021017 514345170 /nfs/dbraw/zinc/34/51/70/514345170.db2.gz AKWPGDDBUAYTPR-DZGCQCFKSA-N 1 0 373.384 2.700 20 5 FFBDRO Cn1ccnc1[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000449774709 514349542 /nfs/dbraw/zinc/34/95/42/514349542.db2.gz PFAULXSKNWJKOS-WFASDCNBSA-N 1 0 350.806 2.992 20 5 FFBDRO Cc1c(NC(=O)[C@H](C)[N@H+](C)C[C@H](O)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000433060738 514365655 /nfs/dbraw/zinc/36/56/55/514365655.db2.gz MSIIRQIFBFVNKQ-DOTOQJQBSA-N 1 0 371.437 2.766 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)C[C@H](O)Cc1ccccc1 ZINC000433061603 514366687 /nfs/dbraw/zinc/36/66/87/514366687.db2.gz PQFGRPFPDBWVKO-GOSISDBHSA-N 1 0 371.437 2.767 20 5 FFBDRO [NH3+][C@@H]1Cc2ccccc2N(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000424074173 514370110 /nfs/dbraw/zinc/37/01/10/514370110.db2.gz JMBFRPPZWFWPQZ-CQSZACIVSA-N 1 0 352.394 2.699 20 5 FFBDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000414954628 514373749 /nfs/dbraw/zinc/37/37/49/514373749.db2.gz SUHHQVJOKTUHMX-UWVGGRQHSA-N 1 0 358.345 2.787 20 5 FFBDRO C[C@@]1(CNC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CCC[NH2+]C1 ZINC000414962345 514377795 /nfs/dbraw/zinc/37/77/95/514377795.db2.gz ZPORWXFTOWTJEE-OAHLLOKOSA-N 1 0 358.345 2.707 20 5 FFBDRO O=C(C[N@@H+]1CC[C@@H](C2CCCC2)C1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000420963287 514405234 /nfs/dbraw/zinc/40/52/34/514405234.db2.gz MYCXYGRBFAEQAY-CYBMUJFWSA-N 1 0 361.398 2.774 20 5 FFBDRO [NH3+]C1(c2noc(-c3ccn(-c4cccc([N+](=O)[O-])c4)n3)n2)CCCCC1 ZINC000424339910 514458980 /nfs/dbraw/zinc/45/89/80/514458980.db2.gz DZOYRFPUODMECZ-UHFFFAOYSA-N 1 0 354.370 2.949 20 5 FFBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C1 ZINC000450100891 514498177 /nfs/dbraw/zinc/49/81/77/514498177.db2.gz LYUIGLAIGHSBGT-UKRRQHHQSA-N 1 0 357.414 2.588 20 5 FFBDRO NC(=O)c1cccc(N2CCC[C@H](C[NH+]3CCCCCC3)C2)c1[N+](=O)[O-] ZINC000439171983 514504240 /nfs/dbraw/zinc/50/42/40/514504240.db2.gz WWICOOBQUCZQRB-OAHLLOKOSA-N 1 0 360.458 2.786 20 5 FFBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C1 ZINC000450145588 514510567 /nfs/dbraw/zinc/51/05/67/514510567.db2.gz KCDRGLNOLHYTRR-CQSZACIVSA-N 1 0 371.441 2.693 20 5 FFBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N1CC[NH+](C2CCCCC2)CC1 ZINC000470623999 514553329 /nfs/dbraw/zinc/55/33/29/514553329.db2.gz XNXCFJFFCIRXQJ-UHFFFAOYSA-N 1 0 360.458 2.797 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H](C2CC2)C2CCCC2)cc1 ZINC000453196626 514568769 /nfs/dbraw/zinc/56/87/69/514568769.db2.gz RCMNTGPIJAGFTA-KRWDZBQOSA-N 1 0 352.456 2.927 20 5 FFBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000453343523 514604045 /nfs/dbraw/zinc/60/40/45/514604045.db2.gz NQFLLTUCFXFHBY-YSHGAJCASA-N 1 0 359.470 2.759 20 5 FFBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000458181050 514606283 /nfs/dbraw/zinc/60/62/83/514606283.db2.gz ZHJWKUSCHQARBA-ZDUSSCGKSA-N 1 0 369.849 2.865 20 5 FFBDRO Cc1c(Br)c(=O)n(CCC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000466459387 514652082 /nfs/dbraw/zinc/65/20/82/514652082.db2.gz WZVNGZLPWLRBDB-UHFFFAOYSA-N 1 0 358.236 2.703 20 5 FFBDRO CC[NH+](CC)CCOc1ccc(CNC(=O)c2ccc([N+](=O)[O-])[nH]2)cc1 ZINC000479612229 514656976 /nfs/dbraw/zinc/65/69/76/514656976.db2.gz OWFRDKSTDGHBRC-UHFFFAOYSA-N 1 0 360.414 2.574 20 5 FFBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000479624160 514661307 /nfs/dbraw/zinc/66/13/07/514661307.db2.gz QTTGTZNDKHWILD-AWEZNQCLSA-N 1 0 371.441 2.583 20 5 FFBDRO COc1ccc(C[NH2+][C@H](C)C(=O)N2Cc3ccccc3C2)cc1[N+](=O)[O-] ZINC000475507447 514694605 /nfs/dbraw/zinc/69/46/05/514694605.db2.gz LXXARRHJFQXJCE-CYBMUJFWSA-N 1 0 355.394 2.624 20 5 FFBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000470959290 514694629 /nfs/dbraw/zinc/69/46/29/514694629.db2.gz HRUBWGCKETZPAX-ZBFHGGJFSA-N 1 0 360.458 2.586 20 5 FFBDRO CCN(CCC[NH+](CC)CC)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000508181744 514696623 /nfs/dbraw/zinc/69/66/23/514696623.db2.gz LTUSXBXJOHZWLK-UHFFFAOYSA-N 1 0 373.457 2.975 20 5 FFBDRO C[C@@H]1C[NH+](Cc2ccc(CNc3ccncc3[N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000508228403 514714588 /nfs/dbraw/zinc/71/45/88/514714588.db2.gz AMJLFEGHECZAPY-HUUCEWRRSA-N 1 0 356.426 2.633 20 5 FFBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000461793538 514742298 /nfs/dbraw/zinc/74/22/98/514742298.db2.gz CYRLTQBLGGDBAC-HNNXBMFYSA-N 1 0 350.463 2.899 20 5 FFBDRO COc1cc(C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)cc([N+](=O)[O-])c1C ZINC000479885330 514759314 /nfs/dbraw/zinc/75/93/14/514759314.db2.gz JSGYVRLFSCVSIP-OAHLLOKOSA-N 1 0 361.442 2.716 20 5 FFBDRO C[C@@H]1CC(C)(C)C[C@](CO)([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000471145902 514769839 /nfs/dbraw/zinc/76/98/39/514769839.db2.gz RORFEXCWLLDPLT-IDHHARJASA-N 1 0 366.458 2.501 20 5 FFBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000479937361 514783408 /nfs/dbraw/zinc/78/34/08/514783408.db2.gz CKDXNMBDWSRFLI-CHWSQXEVSA-N 1 0 369.849 2.816 20 5 FFBDRO CC(C)[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Br)CC[N@@H+]1C ZINC000489327878 514799040 /nfs/dbraw/zinc/79/90/40/514799040.db2.gz MIAMWWBSVMOMTD-CQSZACIVSA-N 1 0 370.247 2.770 20 5 FFBDRO CC[N@H+](CCC1CCN(C(=O)c2cc([N+](=O)[O-])nn2C)CC1)CC(C)C ZINC000479999025 514803633 /nfs/dbraw/zinc/80/36/33/514803633.db2.gz YKCDJMVHLFNNLM-UHFFFAOYSA-N 1 0 365.478 2.549 20 5 FFBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CC[NH+](C2CCCC2)CC1 ZINC000502934503 514847902 /nfs/dbraw/zinc/84/79/02/514847902.db2.gz MJQUTZMYGLYLLL-UHFFFAOYSA-N 1 0 360.458 2.874 20 5 FFBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000508763563 514888080 /nfs/dbraw/zinc/88/80/80/514888080.db2.gz IDRZQGIRUWMXME-OAGGEKHMSA-N 1 0 362.474 2.879 20 5 FFBDRO CNc1nc(C(=O)N[C@@H](C)[C@@H](c2ccccc2C)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000456025432 514910674 /nfs/dbraw/zinc/91/06/74/514910674.db2.gz MIGNXTKBQYQXDB-GUYCJALGSA-N 1 0 371.441 2.761 20 5 FFBDRO CC(C)N(CC[NH+](C)C)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000498487816 514926132 /nfs/dbraw/zinc/92/61/32/514926132.db2.gz VTQVHBVICXIOLA-UHFFFAOYSA-N 1 0 356.854 2.772 20 5 FFBDRO C[C@H](CNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000480404896 514944272 /nfs/dbraw/zinc/94/42/72/514944272.db2.gz QQQMXBFUNJGDRG-CQSZACIVSA-N 1 0 371.441 2.703 20 5 FFBDRO C[C@@H](CNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000480404895 514944854 /nfs/dbraw/zinc/94/48/54/514944854.db2.gz QQQMXBFUNJGDRG-AWEZNQCLSA-N 1 0 371.441 2.703 20 5 FFBDRO CCC[C@H]1CN(Cc2c(F)cc([N+](=O)[O-])cc2F)CC[N@@H+]1CCOC ZINC000508966579 514968389 /nfs/dbraw/zinc/96/83/89/514968389.db2.gz PBACGYWBXMCIQC-ZDUSSCGKSA-N 1 0 357.401 2.806 20 5 FFBDRO C[NH+](C)Cc1ccccc1C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000498585243 514986135 /nfs/dbraw/zinc/98/61/35/514986135.db2.gz WAIXKVONSOMGEY-UHFFFAOYSA-N 1 0 368.437 2.619 20 5 FFBDRO [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000471772842 515007124 /nfs/dbraw/zinc/00/71/24/515007124.db2.gz PFVCSCLNVUHUMF-DOTOQJQBSA-N 1 0 356.426 2.735 20 5 FFBDRO [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000471778411 515009027 /nfs/dbraw/zinc/00/90/27/515009027.db2.gz DVSQQTZTZGYQRE-MAUKXSAKSA-N 1 0 356.426 2.735 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1CCC[C@H]1OC(F)F ZINC000503524655 515068930 /nfs/dbraw/zinc/06/89/30/515068930.db2.gz YZUASDPAUNBAPI-TZMCWYRMSA-N 1 0 357.357 2.982 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)c1C ZINC000480968226 515154109 /nfs/dbraw/zinc/15/41/09/515154109.db2.gz ZOTRPCKMLIREPC-HNNXBMFYSA-N 1 0 371.503 2.856 20 5 FFBDRO CN(C)c1cc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc[nH+]1 ZINC000481053109 515188424 /nfs/dbraw/zinc/18/84/24/515188424.db2.gz PWYUOOBYSHAGOF-UHFFFAOYSA-N 1 0 356.791 2.510 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3CCCC[C@@H]32)c1 ZINC000485878586 515231665 /nfs/dbraw/zinc/23/16/65/515231665.db2.gz YBLSXIIAQALGEU-WCIQWLHISA-N 1 0 370.453 2.810 20 5 FFBDRO Cc1c(Br)cc(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000509649675 515274241 /nfs/dbraw/zinc/27/42/41/515274241.db2.gz FZSZOZABIQPBNM-NSHDSACASA-N 1 0 368.231 2.632 20 5 FFBDRO CC[NH+](CC)CC1CCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000486006239 515295143 /nfs/dbraw/zinc/29/51/43/515295143.db2.gz LZLXSHHNTSYDSS-UHFFFAOYSA-N 1 0 369.412 2.996 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCc2cn3ccccc3n2)n1 ZINC000472604620 515334589 /nfs/dbraw/zinc/33/45/89/515334589.db2.gz WEQGFHYQUJTJLB-HZPDHXFCSA-N 1 0 354.414 2.755 20 5 FFBDRO CN(C(=O)c1ccc([N+](=O)[O-])n1C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000499508646 515352193 /nfs/dbraw/zinc/35/21/93/515352193.db2.gz BDRUIPRDXIUISC-UHFFFAOYSA-N 1 0 356.426 2.670 20 5 FFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)CCS(C)(=O)=O ZINC000504900187 515404814 /nfs/dbraw/zinc/40/48/14/515404814.db2.gz STRFHICRCOSIQX-STQMWFEESA-N 1 0 360.501 2.878 20 5 FFBDRO C[N@@H+](CCc1cccc(Br)c1)CCn1ccc([N+](=O)[O-])n1 ZINC000463419260 515487689 /nfs/dbraw/zinc/48/76/89/515487689.db2.gz KWXBODGWPKKGIK-UHFFFAOYSA-N 1 0 353.220 2.728 20 5 FFBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)CCC[NH+]1CCCC1 ZINC000499913870 515507562 /nfs/dbraw/zinc/50/75/62/515507562.db2.gz PZRMGHJWMIZJKG-ZDUSSCGKSA-N 1 0 368.865 2.993 20 5 FFBDRO C[C@@H]1CN(Cc2c(Cl)cccc2[N+](=O)[O-])CCN1C1CC[NH+](C)CC1 ZINC000492175429 515510265 /nfs/dbraw/zinc/51/02/65/515510265.db2.gz JGDXMRNZDPNPHQ-CQSZACIVSA-N 1 0 366.893 2.849 20 5 FFBDRO CCc1n[nH]c(C(=O)N[C@@H](C)[C@@H](c2ccccc2C)[NH+](C)C)c1[N+](=O)[O-] ZINC000510526480 515569455 /nfs/dbraw/zinc/56/94/55/515569455.db2.gz STLIDIBYAUQEKH-LRDDRELGSA-N 1 0 359.430 2.610 20 5 FFBDRO Cc1cc(N2CC[C@H]3CC[N@@H+](C)C[C@H]32)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000486670462 515588818 /nfs/dbraw/zinc/58/88/18/515588818.db2.gz KLWVJWZQFLADNW-RHSMWYFYSA-N 1 0 353.426 2.891 20 5 FFBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000457085472 515638932 /nfs/dbraw/zinc/63/89/32/515638932.db2.gz HMTLROHPKWJDDX-GFCCVEGCSA-N 1 0 357.357 2.751 20 5 FFBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000457102723 515649399 /nfs/dbraw/zinc/64/93/99/515649399.db2.gz AHPCYGKCXZDWTM-AWEZNQCLSA-N 1 0 369.849 2.958 20 5 FFBDRO CC(C)(CNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000478055120 515684831 /nfs/dbraw/zinc/68/48/31/515684831.db2.gz TYXDTIVMDXHXKI-UHFFFAOYSA-N 1 0 355.460 2.532 20 5 FFBDRO CC[NH+]1CCN([C@@H](C)CNc2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000486934834 515689335 /nfs/dbraw/zinc/68/93/35/515689335.db2.gz KFVZZYOTYQHCII-LBPRGKRZSA-N 1 0 358.389 2.634 20 5 FFBDRO CCOc1cc(N2CC[C@@H](OCC[NH+](CC)CC)C2)ccc1[N+](=O)[O-] ZINC000486965302 515700595 /nfs/dbraw/zinc/70/05/95/515700595.db2.gz IHMILFSTQBGRGQ-MRXNPFEDSA-N 1 0 351.447 2.931 20 5 FFBDRO COc1cccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)c1[N+](=O)[O-] ZINC000494036222 515716377 /nfs/dbraw/zinc/71/63/77/515716377.db2.gz DEZNCQOWQQNQJD-WMLDXEAASA-N 1 0 369.421 2.996 20 5 FFBDRO CNc1nc(C(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000454752203 515717119 /nfs/dbraw/zinc/71/71/19/515717119.db2.gz LJALXEXUFVBAAF-KBPBESRZSA-N 1 0 363.462 2.519 20 5 FFBDRO C[C@H](CCNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)[NH+]1CCCCC1 ZINC000487005607 515719061 /nfs/dbraw/zinc/71/90/61/515719061.db2.gz FXAFMJHNQQBUSW-GFCCVEGCSA-N 1 0 355.385 2.796 20 5 FFBDRO C[C@H](C(=O)NCCc1ccc(F)cc1)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000511136740 515801145 /nfs/dbraw/zinc/80/11/45/515801145.db2.gz KIPSUGPQKUMTJE-OAHLLOKOSA-N 1 0 373.428 2.956 20 5 FFBDRO C[C@@H](C(=O)NCCc1ccc(F)cc1)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000511136738 515801318 /nfs/dbraw/zinc/80/13/18/515801318.db2.gz KIPSUGPQKUMTJE-HNNXBMFYSA-N 1 0 373.428 2.956 20 5 FFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)c(F)c1 ZINC000478387039 515802706 /nfs/dbraw/zinc/80/27/06/515802706.db2.gz QXFLKTQZQMAGTI-XLIONFOSSA-N 1 0 373.428 2.707 20 5 FFBDRO CCC(CC)[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1)[NH+](C)C ZINC000473951252 515815128 /nfs/dbraw/zinc/81/51/28/515815128.db2.gz NAHSFGJWAZRFQD-MRXNPFEDSA-N 1 0 357.476 2.548 20 5 FFBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCN1CCOC[C@@H]1C ZINC000506214570 515819235 /nfs/dbraw/zinc/81/92/35/515819235.db2.gz KBPIGACPMQRRPW-ZDUSSCGKSA-N 1 0 367.471 2.547 20 5 FFBDRO COc1ccc(C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000457358388 515826897 /nfs/dbraw/zinc/82/68/97/515826897.db2.gz BARGERCQMBARMJ-JKSUJKDBSA-N 1 0 373.384 2.700 20 5 FFBDRO Cc1cc(C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000457359154 515827209 /nfs/dbraw/zinc/82/72/09/515827209.db2.gz CERKLYDFGGGGDG-IRXDYDNUSA-N 1 0 357.385 2.999 20 5 FFBDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)c3cc([N+](=O)[O-])n[nH]3)cc2)C1 ZINC000506357385 515857780 /nfs/dbraw/zinc/85/77/80/515857780.db2.gz QSWOEKORGQLCCT-OKILXGFUSA-N 1 0 371.441 2.726 20 5 FFBDRO CCOc1ccc([C@@H](C)[NH2+]CCN2CCO[C@@H](CC)C2)cc1[N+](=O)[O-] ZINC000494511716 515866081 /nfs/dbraw/zinc/86/60/81/515866081.db2.gz HMPFRBGQIJAAIA-ZBFHGGJFSA-N 1 0 351.447 2.755 20 5 FFBDRO Cc1ccc([C@@H](CNC(=O)COc2ccccc2[N+](=O)[O-])[NH+]2CCCC2)o1 ZINC000506414373 515876702 /nfs/dbraw/zinc/87/67/02/515876702.db2.gz PLACIMGOACUYLR-MRXNPFEDSA-N 1 0 373.409 2.828 20 5 FFBDRO Cc1cnc(N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)c([N+](=O)[O-])c1 ZINC000474148869 515906072 /nfs/dbraw/zinc/90/60/72/515906072.db2.gz YCOSAJJHSDUPBV-IRXDYDNUSA-N 1 0 356.426 2.593 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CC[C@@H](c3ccc(F)cc3)C2)c1 ZINC000483115963 515935044 /nfs/dbraw/zinc/93/50/44/515935044.db2.gz DMXIYHUAFHIBFI-QAPCUYQASA-N 1 0 360.385 2.963 20 5 FFBDRO CC[N@@H+]1CCN(Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000511553022 515941471 /nfs/dbraw/zinc/94/14/71/515941471.db2.gz ISJNHBUWBDLLBR-LBPRGKRZSA-N 1 0 373.400 2.773 20 5 FFBDRO C[C@H]1CC[N@H+](C)CCN1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000501085908 515973272 /nfs/dbraw/zinc/97/32/72/515973272.db2.gz PBNREYXRSXTSGH-JTQLQIEISA-N 1 0 371.235 2.915 20 5 FFBDRO C[C@H]([NH2+]CCCCN1C(=O)NC2(CCCC2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000478910802 516005421 /nfs/dbraw/zinc/00/54/21/516005421.db2.gz NPBQWHWYXNEAEQ-AWEZNQCLSA-N 1 0 374.441 2.890 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+]Cc2ccc(F)c(C)c2)cc1[N+](=O)[O-] ZINC000474365117 516013157 /nfs/dbraw/zinc/01/31/57/516013157.db2.gz GQQPNBXQBIPJOR-UHFFFAOYSA-N 1 0 362.357 2.884 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+][C@H]2C[C@H]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000474369653 516015033 /nfs/dbraw/zinc/01/50/33/516015033.db2.gz JEKNYEBIMNDBBP-SJORKVTESA-N 1 0 370.405 2.867 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+][C@H](C)Cc2cccc(O)c2)cc1[N+](=O)[O-] ZINC000474368903 516015507 /nfs/dbraw/zinc/01/55/07/516015507.db2.gz IQVPLPJMOICQFU-CYBMUJFWSA-N 1 0 374.393 2.573 20 5 FFBDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000464937346 516020716 /nfs/dbraw/zinc/02/07/16/516020716.db2.gz RIGUEYAQFFSTLV-QGZVFWFLSA-N 1 0 370.453 2.918 20 5 FFBDRO COC(=O)[C@H]1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@H]1C ZINC000469997511 516067593 /nfs/dbraw/zinc/06/75/93/516067593.db2.gz ZYKKEKUDSOQWOE-WFASDCNBSA-N 1 0 359.382 2.676 20 5 FFBDRO CC(C)[C@@H]1OCCC[C@H]1CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000488060520 516100139 /nfs/dbraw/zinc/10/01/39/516100139.db2.gz IMPBRFSOAQFODH-YJBOKZPZSA-N 1 0 372.425 2.962 20 5 FFBDRO C[C@H]1CN(c2c3ccccc3ncc2[N+](=O)[O-])CC[C@H]1[NH+]1CCN(C)CC1 ZINC000488093076 516114826 /nfs/dbraw/zinc/11/48/26/516114826.db2.gz GCEAHFFWXAHQML-MAUKXSAKSA-N 1 0 369.469 2.605 20 5 FFBDRO C[C@@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc2n[nH]cc2c1 ZINC000507267971 516149902 /nfs/dbraw/zinc/14/99/02/516149902.db2.gz OCCATRFGUQUUCJ-KZULUSFZSA-N 1 0 365.393 2.927 20 5 FFBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000470163024 516157088 /nfs/dbraw/zinc/15/70/88/516157088.db2.gz IISRYBDNEYOPFX-QGZVFWFLSA-N 1 0 356.426 2.683 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000507295172 516161508 /nfs/dbraw/zinc/16/15/08/516161508.db2.gz LCHNKMISOBNGTJ-CYBMUJFWSA-N 1 0 369.487 2.692 20 5 FFBDRO CC(C)c1n[nH]c(C(=O)N2CCC(CCC[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000501632050 516179438 /nfs/dbraw/zinc/17/94/38/516179438.db2.gz WLHDSSJRAHRIEU-UHFFFAOYSA-N 1 0 351.451 2.635 20 5 FFBDRO C[C@H]1CSC[C@@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000512204771 516195705 /nfs/dbraw/zinc/19/57/05/516195705.db2.gz VPBSWEDTMZJGQL-UFBFGSQYSA-N 1 0 374.260 2.637 20 5 FFBDRO O=C(NCC1CC[NH+](C2CC2)CC1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000470311108 516200337 /nfs/dbraw/zinc/20/03/37/516200337.db2.gz XNUMLOFHSDATQB-UHFFFAOYSA-N 1 0 369.368 2.800 20 5 FFBDRO CC(C)C[C@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])[NH2+][C@@H](C)c1ccccc1 ZINC000488390881 516213084 /nfs/dbraw/zinc/21/30/84/516213084.db2.gz NCKFLHNXHSGLLO-DZGCQCFKSA-N 1 0 359.430 2.813 20 5 FFBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])NC1CC[NH+](C2CC2)CC1 ZINC000483861397 516228320 /nfs/dbraw/zinc/22/83/20/516228320.db2.gz XSKPROOEQYUNLJ-UHFFFAOYSA-N 1 0 366.849 2.717 20 5 FFBDRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000465707896 516234107 /nfs/dbraw/zinc/23/41/07/516234107.db2.gz LGTQBODUFBBOHX-SFHVURJKSA-N 1 0 370.453 2.609 20 5 FFBDRO CC(C)c1ccc(C[C@H]2CC[N@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000460984259 516297252 /nfs/dbraw/zinc/29/72/52/516297252.db2.gz VNBDAOQICXQLJM-YLJYHZDGSA-N 1 0 372.469 2.840 20 5 FFBDRO Cc1n[nH]c(C(=O)NCC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000512570891 516307283 /nfs/dbraw/zinc/30/72/83/516307283.db2.gz WQMZFVWBSZUBJN-XJKSGUPXSA-N 1 0 371.441 2.657 20 5 FFBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000543701516 516377242 /nfs/dbraw/zinc/37/72/42/516377242.db2.gz CDDCLOVEEMPKOL-UHFFFAOYSA-N 1 0 369.425 2.853 20 5 FFBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2cccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000561153618 516411827 /nfs/dbraw/zinc/41/18/27/516411827.db2.gz FPRUCWBJWZQGDK-ZFWWWQNUSA-N 1 0 354.410 2.941 20 5 FFBDRO CCc1nnc(NC(=O)[C@H](C)[C@@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])s1 ZINC000513087457 516468026 /nfs/dbraw/zinc/46/80/26/516468026.db2.gz AIROSEHPAWLNRV-GHMZBOCLSA-N 1 0 363.443 2.762 20 5 FFBDRO COc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)cc1[N+](=O)[O-] ZINC000543926666 516499961 /nfs/dbraw/zinc/49/99/61/516499961.db2.gz OOENRKRYPYCDPY-OAHLLOKOSA-N 1 0 370.409 2.849 20 5 FFBDRO CC(C)[N@H+](C)CCNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000523620509 516522160 /nfs/dbraw/zinc/52/21/60/516522160.db2.gz BPLDGRUALTWZQN-UHFFFAOYSA-N 1 0 351.450 2.611 20 5 FFBDRO COc1ccc(OCC[NH2+]C2(c3ccc4c(c3)OCO4)CC2)c([N+](=O)[O-])c1 ZINC000540428974 516550660 /nfs/dbraw/zinc/55/06/60/516550660.db2.gz BFXFPQYQGOVIJA-UHFFFAOYSA-N 1 0 372.377 2.990 20 5 FFBDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000531607031 516551132 /nfs/dbraw/zinc/55/11/32/516551132.db2.gz XCPJBBWNIGKHJN-HUUCEWRRSA-N 1 0 370.453 2.820 20 5 FFBDRO [NH3+]C1(CNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CCCCCC1 ZINC000558154235 516619783 /nfs/dbraw/zinc/61/97/83/516619783.db2.gz QVSVVSHFTKHWPD-UHFFFAOYSA-N 1 0 374.485 2.979 20 5 FFBDRO Cn1cc(C[NH2+]Cc2ccccc2CO)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000540573551 516625157 /nfs/dbraw/zinc/62/51/57/516625157.db2.gz YITFCYXDODKGDQ-UHFFFAOYSA-N 1 0 352.394 2.777 20 5 FFBDRO C[N@H+](CCN1CCN(Cc2ccccc2[N+](=O)[O-])CC1)Cc1ccccc1 ZINC000513460619 516633799 /nfs/dbraw/zinc/63/37/99/516633799.db2.gz GVTFEGLRUFMKSM-UHFFFAOYSA-N 1 0 368.481 2.844 20 5 FFBDRO C[C@@H](C(=O)NCCc1ccc([N+](=O)[O-])cc1)N1CCc2ccccc2C1 ZINC000518457902 516668670 /nfs/dbraw/zinc/66/86/70/516668670.db2.gz VWEZYQUXUOYYQJ-HNNXBMFYSA-N 1 0 353.422 2.700 20 5 FFBDRO Cn1ccnc1[C@@H]([NH2+]C[C@H]1CCC[C@@H](CO)C1)c1cccc([N+](=O)[O-])c1 ZINC000558276468 516676699 /nfs/dbraw/zinc/67/66/99/516676699.db2.gz BWYGCYNWOQUFHK-DAYGRLMNSA-N 1 0 358.442 2.806 20 5 FFBDRO C[C@H](CCNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)[NH+]1CCCCC1 ZINC000544330583 516706023 /nfs/dbraw/zinc/70/60/23/516706023.db2.gz MTOHYSFORBUDNL-OAHLLOKOSA-N 1 0 360.458 2.927 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H](C2CCCCC2)[NH+](C)C)n1 ZINC000518584814 516712615 /nfs/dbraw/zinc/71/26/15/516712615.db2.gz RRHCRHBGAXVKCV-HNNXBMFYSA-N 1 0 350.419 2.699 20 5 FFBDRO C[C@@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000513698341 516722952 /nfs/dbraw/zinc/72/29/52/516722952.db2.gz ZMUJBRAAZHOUIQ-ZDUSSCGKSA-N 1 0 353.378 2.759 20 5 FFBDRO Cc1c(Br)c(N(C)CC2CC[NH+](C)CC2)ncc1[N+](=O)[O-] ZINC000544394099 516739915 /nfs/dbraw/zinc/73/99/15/516739915.db2.gz IKGQACVYHHWZBN-UHFFFAOYSA-N 1 0 357.252 2.839 20 5 FFBDRO Cc1c(Br)c(N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000544393286 516740088 /nfs/dbraw/zinc/74/00/88/516740088.db2.gz FNFIUCLANFGYRZ-ONGXEEELSA-N 1 0 357.252 2.837 20 5 FFBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C[C@@H](C)C1 ZINC000561760652 516754679 /nfs/dbraw/zinc/75/46/79/516754679.db2.gz IGDWIAYLRLJGFQ-OGHNNQOOSA-N 1 0 356.426 2.878 20 5 FFBDRO CC[C@@H](COC)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000558485814 516773470 /nfs/dbraw/zinc/77/34/70/516773470.db2.gz KBKWKSSFEWCCND-NSHDSACASA-N 1 0 364.183 2.714 20 5 FFBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000518883343 516807353 /nfs/dbraw/zinc/80/73/53/516807353.db2.gz FKDGRCLEWAVVKL-WCQYABFASA-N 1 0 355.822 2.616 20 5 FFBDRO O=C(CC[NH2+]C[C@@H](c1ccco1)N1CCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000558573332 516814583 /nfs/dbraw/zinc/81/45/83/516814583.db2.gz ATOOMCRKYMYADO-KRWDZBQOSA-N 1 0 372.425 2.943 20 5 FFBDRO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)c3ccc([N+](=O)[O-])cn3)cc2)C1 ZINC000532144073 516823681 /nfs/dbraw/zinc/82/36/81/516823681.db2.gz SWHYDEPFIHBCKT-AWEZNQCLSA-N 1 0 370.409 2.963 20 5 FFBDRO COC[C@@](C)(CC(=O)OC)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000544599075 516830667 /nfs/dbraw/zinc/83/06/67/516830667.db2.gz SHXPKVFLRWANAQ-GOSISDBHSA-N 1 0 362.382 2.913 20 5 FFBDRO C[NH+](C)CCN(Cc1ccco1)C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000519025573 516858046 /nfs/dbraw/zinc/85/80/46/516858046.db2.gz VGANNVFXMIOSIL-UHFFFAOYSA-N 1 0 367.352 2.599 20 5 FFBDRO COc1ccc([C@H](C[NH+](C)C)NC(=O)c2cc(C)cc([N+](=O)[O-])c2)cc1 ZINC000551792429 516873504 /nfs/dbraw/zinc/87/35/04/516873504.db2.gz KSNNIYBIQOGCNE-SFHVURJKSA-N 1 0 357.410 2.945 20 5 FFBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](CCOC[C@H]3CCCO3)CC2)cc1 ZINC000525282932 516992088 /nfs/dbraw/zinc/99/20/88/516992088.db2.gz MXVVGJVYSXVHSF-GOSISDBHSA-N 1 0 350.415 2.634 20 5 FFBDRO C[C@H](C(=O)N1CCC(OCCC[NH+](C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000562300472 517018970 /nfs/dbraw/zinc/01/89/70/517018970.db2.gz DARWVWHNIKKOMQ-HNNXBMFYSA-N 1 0 363.458 2.658 20 5 FFBDRO C[C@@H]([NH2+]CCOc1ccc(S(C)(=O)=O)cc1)c1ccccc1[N+](=O)[O-] ZINC000537124975 517048893 /nfs/dbraw/zinc/04/88/93/517048893.db2.gz PVDGJZLELWTFED-CYBMUJFWSA-N 1 0 364.423 2.728 20 5 FFBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](N2CCOCC2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000552097878 517075499 /nfs/dbraw/zinc/07/54/99/517075499.db2.gz PRBLIDRERIWQER-SWLSCSKDSA-N 1 0 361.364 2.817 20 5 FFBDRO C[C@H]([NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C1(S(C)(=O)=O)CC1 ZINC000552099805 517078304 /nfs/dbraw/zinc/07/83/04/517078304.db2.gz UNKCUPFJCCZPBM-NHYWBVRUSA-N 1 0 352.456 2.873 20 5 FFBDRO CC[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1CCOCC1 ZINC000537218293 517093992 /nfs/dbraw/zinc/09/39/92/517093992.db2.gz BZHSHWCETULLJS-CYBMUJFWSA-N 1 0 355.822 2.982 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC=C(c2ccccn2)C1 ZINC000519682495 517120819 /nfs/dbraw/zinc/12/08/19/517120819.db2.gz YDIXBZBCYZTNID-INIZCTEOSA-N 1 0 355.394 2.519 20 5 FFBDRO C[C@H]1CCC[N@H+](CCN[C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C1 ZINC000552254472 517164480 /nfs/dbraw/zinc/16/44/80/517164480.db2.gz GHSOOFHKVVSOIX-MAUKXSAKSA-N 1 0 357.458 2.739 20 5 FFBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]C[C@H](CO)Cc2ccco2)c1 ZINC000532866284 517175452 /nfs/dbraw/zinc/17/54/52/517175452.db2.gz HYEMLVRZOPIFOA-LLVKDONJSA-N 1 0 356.325 2.730 20 5 FFBDRO C[C@@]1(CCCO)CCC[N@@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000537411387 517176561 /nfs/dbraw/zinc/17/65/61/517176561.db2.gz NFUHQOXUFPSSCZ-SFHVURJKSA-N 1 0 363.414 2.520 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)c1 ZINC000541821587 517232474 /nfs/dbraw/zinc/23/24/74/517232474.db2.gz UHRIUMDNCMMCFE-CQSZACIVSA-N 1 0 367.471 2.507 20 5 FFBDRO CC[NH+](CC)C[C@@H](C)NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000519995182 517255949 /nfs/dbraw/zinc/25/59/49/517255949.db2.gz YBDXRHKOVJKMCY-OAHLLOKOSA-N 1 0 362.474 2.658 20 5 FFBDRO C[C@@H](NC(=O)c1cc([N+](=O)[O-])cn1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000537613116 517257939 /nfs/dbraw/zinc/25/79/39/517257939.db2.gz CKSUWZGMGVUAPM-ZBFHGGJFSA-N 1 0 356.426 2.574 20 5 FFBDRO COc1cc(C[N@@H+]2CCC[C@H]([C@H](C)O)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000541872922 517266014 /nfs/dbraw/zinc/26/60/14/517266014.db2.gz IENBFACPVKVBML-RYUDHWBXSA-N 1 0 374.384 2.840 20 5 FFBDRO COc1cc(C[N@@H+]2CCC[C@@H]([C@@H](C)O)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000541872923 517266235 /nfs/dbraw/zinc/26/62/35/517266235.db2.gz IENBFACPVKVBML-VXGBXAGGSA-N 1 0 374.384 2.840 20 5 FFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C1CC1)[C@]1(CO)CCCO1 ZINC000559467636 517271386 /nfs/dbraw/zinc/27/13/86/517271386.db2.gz SGJRPMLTJQVSGL-RTBURBONSA-N 1 0 364.442 2.792 20 5 FFBDRO C[C@@H]1CC[N@H+](C)CCN1C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000556187826 517309697 /nfs/dbraw/zinc/30/96/97/517309697.db2.gz RKEJYJQMXNSDGE-SNVBAGLBSA-N 1 0 358.345 2.754 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N3CCC4(CC[NH2+]4)CC3)cc2[N+](=O)[O-])CC1 ZINC000515413397 517341845 /nfs/dbraw/zinc/34/18/45/517341845.db2.gz JXBIUIMDYQGWBB-UHFFFAOYSA-N 1 0 372.469 2.799 20 5 FFBDRO COC(=O)CCC1CC[NH+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000533344832 517416659 /nfs/dbraw/zinc/41/66/59/517416659.db2.gz REMOYUZXRIVLTH-CYBMUJFWSA-N 1 0 363.414 2.587 20 5 FFBDRO CCOc1ccc(C[N@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000542210640 517439170 /nfs/dbraw/zinc/43/91/70/517439170.db2.gz VTQLKRIHYBNZSX-INIZCTEOSA-N 1 0 360.410 2.865 20 5 FFBDRO C[C@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)[C@@H](c1ccccc1)[NH+](C)C ZINC000546024243 517498001 /nfs/dbraw/zinc/49/80/01/517498001.db2.gz MWFNMQPKDAVYRI-SGTLLEGYSA-N 1 0 371.393 2.745 20 5 FFBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000520775687 517510594 /nfs/dbraw/zinc/51/05/94/517510594.db2.gz TXEATBVANBYFPD-UHFFFAOYSA-N 1 0 361.442 2.698 20 5 FFBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000542404959 517543259 /nfs/dbraw/zinc/54/32/59/517543259.db2.gz CQCAWXXSPBUPSW-GWCFXTLKSA-N 1 0 369.874 2.939 20 5 FFBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000520898537 517546334 /nfs/dbraw/zinc/54/63/34/517546334.db2.gz CAHKXFJFQOFKJT-UONOGXRCSA-N 1 0 369.487 2.698 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000562979197 517550840 /nfs/dbraw/zinc/55/08/40/517550840.db2.gz UZDZWFLZFULEPQ-HNNXBMFYSA-N 1 0 368.231 2.573 20 5 FFBDRO COc1ccc2c(c1)OC[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000562990947 517563546 /nfs/dbraw/zinc/56/35/46/517563546.db2.gz ITMDSOLOYOGDJM-CQSZACIVSA-N 1 0 371.393 2.525 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1CC(=O)N(C)[C@H]1c1nccn1C ZINC000556707596 517589040 /nfs/dbraw/zinc/58/90/40/517589040.db2.gz WFDMRIHIYWDHCC-SUNYJGFJSA-N 1 0 371.441 2.507 20 5 FFBDRO Cc1cc(N2C[C@H](N3CCOCC3)C[C@@H]2C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000553264229 517611104 /nfs/dbraw/zinc/61/11/04/517611104.db2.gz ILTWQBYCSMPYHP-GOEBONIOSA-N 1 0 356.426 2.751 20 5 FFBDRO O=C(NC1CC[NH+](CC2CC2)CC1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000533807710 517619995 /nfs/dbraw/zinc/61/99/95/517619995.db2.gz NVJKPCCSJOFFHA-UHFFFAOYSA-N 1 0 358.442 2.537 20 5 FFBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000563063686 517625646 /nfs/dbraw/zinc/62/56/46/517625646.db2.gz LVPXDDUZZAKHND-AWEZNQCLSA-N 1 0 373.457 2.650 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)n1 ZINC000553311784 517638927 /nfs/dbraw/zinc/63/89/27/517638927.db2.gz LPEHOWFBBAGSSZ-CYBMUJFWSA-N 1 0 370.409 2.635 20 5 FFBDRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000560250764 517658122 /nfs/dbraw/zinc/65/81/22/517658122.db2.gz PWWBIVKWUBFECQ-QGZVFWFLSA-N 1 0 357.410 2.945 20 5 FFBDRO CCOc1cc(N2CC[NH+](C[C@@H]3CCCC[C@H]3O)CC2)ccc1[N+](=O)[O-] ZINC000563220384 517748458 /nfs/dbraw/zinc/74/84/58/517748458.db2.gz MGUZNOWUPIQAED-MAUKXSAKSA-N 1 0 363.458 2.667 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])c(N[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)n1 ZINC000542865476 517789086 /nfs/dbraw/zinc/78/90/86/517789086.db2.gz ICQMSEWEQUFNEW-ROUUACIJSA-N 1 0 370.453 2.902 20 5 FFBDRO C[NH+]1CCC(CCNC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CC1 ZINC000542883186 517796534 /nfs/dbraw/zinc/79/65/34/517796534.db2.gz GGIMOULCVNWPRM-UHFFFAOYSA-N 1 0 357.357 2.658 20 5 FFBDRO O=C1C[C@H](C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CN1C1CC1 ZINC000521632171 517803796 /nfs/dbraw/zinc/80/37/96/517803796.db2.gz VDGMGSIKMCQGHT-CYBMUJFWSA-N 1 0 355.394 2.955 20 5 FFBDRO C[C@H](NC(=O)N(C)CCc1ccccc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000553657446 517837024 /nfs/dbraw/zinc/83/70/24/517837024.db2.gz FQZXJZBKUNCZNF-AWEZNQCLSA-N 1 0 350.463 2.755 20 5 FFBDRO COc1ccc(NC(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000542959610 517838862 /nfs/dbraw/zinc/83/88/62/517838862.db2.gz VIOMGELOSSVDPG-CYBMUJFWSA-N 1 0 350.419 2.845 20 5 FFBDRO CCc1cnccc1[C@H](C)[NH2+]CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000543052998 517883533 /nfs/dbraw/zinc/88/35/33/517883533.db2.gz ULCGCBSQMJPVFK-LBPRGKRZSA-N 1 0 358.398 2.850 20 5 FFBDRO CCOc1ccc2c(c1)CC[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C2 ZINC000543138962 517929505 /nfs/dbraw/zinc/92/95/05/517929505.db2.gz ILYNHQVTFJADOR-KRWDZBQOSA-N 1 0 372.421 2.792 20 5 FFBDRO CCOc1cc(C(=O)N2[C@@H](C)C[NH+](CC)C[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000516994186 517964570 /nfs/dbraw/zinc/96/45/70/517964570.db2.gz NNJWTYFMXVBIAA-STQMWFEESA-N 1 0 365.430 2.557 20 5 FFBDRO COc1ccc(NC(=O)NCC[C@@H](C)[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000543312261 518020027 /nfs/dbraw/zinc/02/00/27/518020027.db2.gz BCRXYYCCIMANCT-CYBMUJFWSA-N 1 0 350.419 2.989 20 5 FFBDRO Cc1cc(NC(=O)NCc2cccc([N+](=O)[O-])c2)n(C2CC[NH+](C)CC2)n1 ZINC000530950465 518066235 /nfs/dbraw/zinc/06/62/35/518066235.db2.gz AIPASOMWIKQGIC-UHFFFAOYSA-N 1 0 372.429 2.688 20 5 FFBDRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000534964996 518101137 /nfs/dbraw/zinc/10/11/37/518101137.db2.gz IBIBIDBSTAXRDQ-HNNXBMFYSA-N 1 0 366.421 2.979 20 5 FFBDRO C[NH+](C)CCN(Cc1ccco1)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000534982722 518107565 /nfs/dbraw/zinc/10/75/65/518107565.db2.gz NPCOPJXTQKOBKE-UHFFFAOYSA-N 1 0 356.382 2.873 20 5 FFBDRO CC(C)n1cc([C@H](C)[NH2+][C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cn1 ZINC000543503551 518120968 /nfs/dbraw/zinc/12/09/68/518120968.db2.gz CHKZXJAHVVNHCU-GUYCJALGSA-N 1 0 357.414 2.828 20 5 FFBDRO Cc1ccccc1C[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])cn2C)CC1 ZINC000517380067 518133896 /nfs/dbraw/zinc/13/38/96/518133896.db2.gz MESBPLMYILVKOI-UHFFFAOYSA-N 1 0 356.426 2.636 20 5 FFBDRO COC1CC[NH+](C(C)(C)CNC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000517407561 518141034 /nfs/dbraw/zinc/14/10/34/518141034.db2.gz XMGXISSWRMHOHV-UHFFFAOYSA-N 1 0 350.419 2.606 20 5 FFBDRO CCCN(C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)C1CC[NH2+]CC1 ZINC000569606619 518205863 /nfs/dbraw/zinc/20/58/63/518205863.db2.gz FAJFXUQLCBXOCY-UHFFFAOYSA-N 1 0 374.485 2.802 20 5 FFBDRO C[C@@H](NC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)C1=CC[N@H+](C)CC1 ZINC000564076631 518296713 /nfs/dbraw/zinc/29/67/13/518296713.db2.gz MSQPKWURFSGOKA-CYBMUJFWSA-N 1 0 371.441 2.568 20 5 FFBDRO Cc1cc(NC(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000581615532 518373284 /nfs/dbraw/zinc/37/32/84/518373284.db2.gz KFXWJMDJUZGKKS-MRXNPFEDSA-N 1 0 362.430 2.622 20 5 FFBDRO CC(C)[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1(CO)CCC1 ZINC000570062611 518424585 /nfs/dbraw/zinc/42/45/85/518424585.db2.gz QLGGCIADKDICIF-INIZCTEOSA-N 1 0 369.849 2.964 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CC[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000576100810 518428338 /nfs/dbraw/zinc/42/83/38/518428338.db2.gz FCKBMRPMJQLSMG-YSVLISHTSA-N 1 0 364.833 2.732 20 5 FFBDRO CC[NH+]1CCC(CNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000572998975 518458944 /nfs/dbraw/zinc/45/89/44/518458944.db2.gz SYDWLBDJHSYRFN-UHFFFAOYSA-N 1 0 357.357 2.658 20 5 FFBDRO CO[C@@H](C)[C@@H](C)[NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000567318648 518461299 /nfs/dbraw/zinc/46/12/99/518461299.db2.gz SHSZARIFKBHESJ-BBBLOLIVSA-N 1 0 363.336 2.954 20 5 FFBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NCCC[NH2+]C3CC3)cc2[N+](=O)[O-])C1 ZINC000573093281 518505562 /nfs/dbraw/zinc/50/55/62/518505562.db2.gz LEZFGUMEPRILLE-HUUCEWRRSA-N 1 0 374.485 2.949 20 5 FFBDRO CN(C)[C@@H](C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccsc1 ZINC000576293023 518521062 /nfs/dbraw/zinc/52/10/62/518521062.db2.gz FDGRWCWTADEZRI-INIZCTEOSA-N 1 0 362.455 2.877 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000570323535 518549719 /nfs/dbraw/zinc/54/97/19/518549719.db2.gz VSQHHMBNWBTKKS-HOTGVXAUSA-N 1 0 364.442 2.806 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCCC[C@H]1CCO ZINC000585754721 518585790 /nfs/dbraw/zinc/58/57/90/518585790.db2.gz XGLKUCSXFXAVGU-AWEZNQCLSA-N 1 0 365.430 2.559 20 5 FFBDRO CCOc1cc(C)ccc1C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000567683496 518652873 /nfs/dbraw/zinc/65/28/73/518652873.db2.gz OXODDEJWBPYCQZ-MRXNPFEDSA-N 1 0 360.410 2.831 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CC2(Cc3ccccc3)CC2)cc1 ZINC000564852132 518654286 /nfs/dbraw/zinc/65/42/86/518654286.db2.gz KAYSLVCODJRYCW-UHFFFAOYSA-N 1 0 374.462 2.981 20 5 FFBDRO COc1ccc(COC[C@@H](O)C[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000564863129 518659816 /nfs/dbraw/zinc/65/98/16/518659816.db2.gz HAELPXBWUDVGAH-KRWDZBQOSA-N 1 0 360.410 2.579 20 5 FFBDRO CC[C@@H](CC(F)(F)F)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000564872202 518667704 /nfs/dbraw/zinc/66/77/04/518667704.db2.gz FPUPRZSNSJORSI-JTQLQIEISA-N 1 0 354.350 2.689 20 5 FFBDRO CCOc1ccc(C(=O)NC[C@H]2[NH2+]CCc3ccccc32)cc1[N+](=O)[O-] ZINC000576696581 518717855 /nfs/dbraw/zinc/71/78/55/518717855.db2.gz UZAJRPZEDIFNDS-MRXNPFEDSA-N 1 0 355.394 2.610 20 5 FFBDRO CN(C)CC[N@H+](C)CCCN(C)c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000570878600 518822204 /nfs/dbraw/zinc/82/22/04/518822204.db2.gz BDUXPRSNHVEYLB-UHFFFAOYSA-N 1 0 371.485 2.977 20 5 FFBDRO CN(C)CC[N@H+](C)CCCN(C)c1ccc(Br)cc1[N+](=O)[O-] ZINC000570999085 518877730 /nfs/dbraw/zinc/87/77/30/518877730.db2.gz DHBWTRJTZNBKMA-UHFFFAOYSA-N 1 0 373.295 2.677 20 5 FFBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000579849775 518886578 /nfs/dbraw/zinc/88/65/78/518886578.db2.gz AWSGGHJYVXLCKD-SFHVURJKSA-N 1 0 353.422 2.776 20 5 FFBDRO COC(=O)c1cc([C@@H](C)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)oc1C ZINC000577044365 518889268 /nfs/dbraw/zinc/88/92/68/518889268.db2.gz FUUBWJJHCMBBDB-GFCCVEGCSA-N 1 0 374.397 2.561 20 5 FFBDRO C[C@H]([NH3+])c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)cc1 ZINC000577054621 518892528 /nfs/dbraw/zinc/89/25/28/518892528.db2.gz DPWGPNMJVYFRSB-ZDUSSCGKSA-N 1 0 370.409 2.703 20 5 FFBDRO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000577161506 518943946 /nfs/dbraw/zinc/94/39/46/518943946.db2.gz IRNYTKDHRMLOTB-LBPRGKRZSA-N 1 0 353.369 2.502 20 5 FFBDRO C[C@H](O)C[C@H]1CCCCC[N@@H+]1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000589187590 518944167 /nfs/dbraw/zinc/94/41/67/518944167.db2.gz BCCPRWHRCSTQOU-DZGCQCFKSA-N 1 0 350.415 2.882 20 5 FFBDRO C[NH+](C)C1(CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)Cc2ccccc2C1 ZINC000582874178 518962176 /nfs/dbraw/zinc/96/21/76/518962176.db2.gz HILMBYPLBDPINI-UHFFFAOYSA-N 1 0 372.400 2.955 20 5 FFBDRO CSC1(CNC(=O)Nc2ccc([N+](=O)[O-])c(C)c2)CC[NH+](C)CC1 ZINC000589334840 518982840 /nfs/dbraw/zinc/98/28/40/518982840.db2.gz UBMWTLWZTCVLET-UHFFFAOYSA-N 1 0 352.460 2.852 20 5 FFBDRO CCC(CC)[C@@H]1C[C@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000582960713 519008236 /nfs/dbraw/zinc/00/82/36/519008236.db2.gz LAVCSQZFMHCNML-SUMDDJOVSA-N 1 0 366.458 2.908 20 5 FFBDRO COCc1nc(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cs1 ZINC000565568809 519021647 /nfs/dbraw/zinc/02/16/47/519021647.db2.gz NLKTZYTZCYBNPN-STQMWFEESA-N 1 0 351.432 2.668 20 5 FFBDRO CC[NH+]1CCC(CNC(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000568450750 519041664 /nfs/dbraw/zinc/04/16/64/519041664.db2.gz OYWYISRZKQHMQJ-UHFFFAOYSA-N 1 0 370.247 2.819 20 5 FFBDRO COCCCN(C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000589630304 519047563 /nfs/dbraw/zinc/04/75/63/519047563.db2.gz BBHREHYQCAYBEE-HNNXBMFYSA-N 1 0 363.458 2.658 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2noc(CN3CCCC[C@H]3[C@H]3CCC[NH2+]3)n2)cc1 ZINC000577371832 519048444 /nfs/dbraw/zinc/04/84/44/519048444.db2.gz XBGFMZLCXSHGFH-CVEARBPZSA-N 1 0 357.414 2.751 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CCCc3sc(Cl)cc32)c1 ZINC000571433037 519095077 /nfs/dbraw/zinc/09/50/77/519095077.db2.gz OIJRTBWDJTZPFP-ZYHUDNBSSA-N 1 0 356.835 2.534 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2CC[C@@](O)(C(F)(F)F)C2)n1 ZINC000589950211 519111468 /nfs/dbraw/zinc/11/14/68/519111468.db2.gz ZSEMTVBNXGEDGF-CZXHOFHRSA-N 1 0 362.352 2.711 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000590014362 519129824 /nfs/dbraw/zinc/12/98/24/519129824.db2.gz BSRIDNIQDJWCMW-PXAZEXFGSA-N 1 0 367.833 2.570 20 5 FFBDRO CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000577578151 519147601 /nfs/dbraw/zinc/14/76/01/519147601.db2.gz XIPZSBRWXGJKGQ-INIZCTEOSA-N 1 0 371.441 2.727 20 5 FFBDRO CC(C)Oc1nc(NCc2ccc(OCC[NH+](C)C)cc2)ccc1[N+](=O)[O-] ZINC000568663989 519155205 /nfs/dbraw/zinc/15/52/05/519155205.db2.gz JONVGFFFIBFKQR-UHFFFAOYSA-N 1 0 374.441 2.751 20 5 FFBDRO CCOc1cc(C[NH2+][C@@H]2CCCC[C@@H]2N2CCOCC2)ccc1[N+](=O)[O-] ZINC000574512859 519191476 /nfs/dbraw/zinc/19/14/76/519191476.db2.gz NYAVZEGJECASQI-SJORKVTESA-N 1 0 363.458 2.727 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@](CO)(C(C)C)C2)c1 ZINC000590377236 519208445 /nfs/dbraw/zinc/20/84/45/519208445.db2.gz AABSMYKNMSUTCD-SFHVURJKSA-N 1 0 350.415 2.612 20 5 FFBDRO COc1cccc(C[C@@H](C)[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000577722654 519222475 /nfs/dbraw/zinc/22/24/75/519222475.db2.gz VYZUVPUAXWFMFU-GDBMZVCRSA-N 1 0 360.410 2.564 20 5 FFBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000590566099 519267037 /nfs/dbraw/zinc/26/70/37/519267037.db2.gz CDJBPKBCBCQMHG-ZYHUDNBSSA-N 1 0 357.863 2.891 20 5 FFBDRO COC(=O)c1c(Cl)c(N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)ccc1[N+](=O)[O-] ZINC000590581003 519273240 /nfs/dbraw/zinc/27/32/40/519273240.db2.gz GJPQAKNCGDGIEW-NEPJUHHUSA-N 1 0 367.833 2.955 20 5 FFBDRO COC(=O)c1c(Cl)c(N2CCC([NH2+]C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000590583359 519274646 /nfs/dbraw/zinc/27/46/46/519274646.db2.gz VUTIIFVEABKOMD-UHFFFAOYSA-N 1 0 353.806 2.756 20 5 FFBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000583490544 519275443 /nfs/dbraw/zinc/27/54/43/519275443.db2.gz KZQLCXXFMSXGOX-QWHCGFSZSA-N 1 0 373.862 2.543 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]Cc2ccc(F)c(Cl)c2)c1 ZINC000583559945 519311300 /nfs/dbraw/zinc/31/13/00/519311300.db2.gz PICXENWFPUWTIF-ZDUSSCGKSA-N 1 0 354.765 2.917 20 5 FFBDRO CC[N@H+]1C[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2Br)[C@@H](C)C1 ZINC000569287119 519471399 /nfs/dbraw/zinc/47/13/99/519471399.db2.gz QFWDIYRGUUELCT-PHIMTYICSA-N 1 0 370.247 2.912 20 5 FFBDRO O=C1COc2ccccc2N1CCC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000578247275 519496947 /nfs/dbraw/zinc/49/69/47/519496947.db2.gz QEEVARKPVRXLIL-INIZCTEOSA-N 1 0 367.405 2.987 20 5 FFBDRO NC(=O)C1CC[NH+](Cc2ccc(CNc3ccsc3[N+](=O)[O-])cc2)CC1 ZINC000591198552 519544986 /nfs/dbraw/zinc/54/49/86/519544986.db2.gz RHUQCOJUVJCDME-UHFFFAOYSA-N 1 0 374.466 2.966 20 5 FFBDRO O=C(CC[NH2+][C@@H]1CCO[C@]2(CCSC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000575248889 519572434 /nfs/dbraw/zinc/57/24/34/519572434.db2.gz XJXJMSDHRCCDRL-CXAGYDPISA-N 1 0 365.455 2.568 20 5 FFBDRO COc1ccc(NC(=O)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000591297645 519579892 /nfs/dbraw/zinc/57/98/92/519579892.db2.gz VVVJZOAYRHTUPB-KBPBESRZSA-N 1 0 362.430 2.847 20 5 FFBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000591347038 519602978 /nfs/dbraw/zinc/60/29/78/519602978.db2.gz CLVMDFIPQXBUII-SJORKVTESA-N 1 0 360.458 2.559 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(C)(C(=O)OC(C)(C)C)CC1 ZINC000602853298 519927509 /nfs/dbraw/zinc/92/75/09/519927509.db2.gz WXPHUJHQDXOTBB-UHFFFAOYSA-N 1 0 352.435 2.544 20 5 FFBDRO CN(CCC[NH+]1CCCC1)C(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599890424 519935673 /nfs/dbraw/zinc/93/56/73/519935673.db2.gz HXYPCOVONOUJSY-UHFFFAOYSA-N 1 0 370.247 2.915 20 5 FFBDRO CCC(C)(C)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CC1 ZINC000594389855 519935970 /nfs/dbraw/zinc/93/59/70/519935970.db2.gz OTXRXCYNUSCXLX-UHFFFAOYSA-N 1 0 371.441 2.727 20 5 FFBDRO C[N@@H+]1CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1C(C)(C)C ZINC000602874174 519941919 /nfs/dbraw/zinc/94/19/19/519941919.db2.gz OWWOYYNVLXZICZ-HNNXBMFYSA-N 1 0 359.430 2.807 20 5 FFBDRO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)C2 ZINC000599916898 519948798 /nfs/dbraw/zinc/94/87/98/519948798.db2.gz MNFKIQAFHWCOEJ-KDURUIRLSA-N 1 0 360.458 2.559 20 5 FFBDRO O=[N+]([O-])c1cccc2ncnc(NC3CC[NH+]([C@@H]4CCCC[C@@H]4O)CC3)c21 ZINC000612449769 519966547 /nfs/dbraw/zinc/96/65/47/519966547.db2.gz SNNNMKRMQLMYRO-WBVHZDCISA-N 1 0 371.441 2.718 20 5 FFBDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599951926 519970600 /nfs/dbraw/zinc/97/06/00/519970600.db2.gz ZYLFXXCWNIAORB-SNVBAGLBSA-N 1 0 358.236 2.816 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](CCO)c1ccc(Cl)c(F)c1 ZINC000602924884 519976495 /nfs/dbraw/zinc/97/64/95/519976495.db2.gz JVJGEXVYWHZVLR-AWEZNQCLSA-N 1 0 356.785 2.606 20 5 FFBDRO CCC1([NH+]2CCCC2)CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000602950172 519989149 /nfs/dbraw/zinc/98/91/49/519989149.db2.gz KLTXGGCBHHLKRT-UHFFFAOYSA-N 1 0 360.458 2.534 20 5 FFBDRO Cn1nnc2c1CC[C@@H]([NH2+]Cc1ccc(-c3ccccc3[N+](=O)[O-])o1)C2 ZINC000594515562 520012366 /nfs/dbraw/zinc/01/23/66/520012366.db2.gz NMMMUVAFUBBWSD-GFCCVEGCSA-N 1 0 353.382 2.630 20 5 FFBDRO C[C@@H](c1ccncc1)[NH+]1CCC(Nc2cc(N)c([N+](=O)[O-])c(CO)c2)CC1 ZINC000591822307 520052790 /nfs/dbraw/zinc/05/27/90/520052790.db2.gz XEDIVCQURMKEAS-ZDUSSCGKSA-N 1 0 371.441 2.702 20 5 FFBDRO C[C@H](c1ccncc1)[NH+]1CCC(Nc2cc(N)c([N+](=O)[O-])c(CO)c2)CC1 ZINC000591822305 520053014 /nfs/dbraw/zinc/05/30/14/520053014.db2.gz XEDIVCQURMKEAS-CYBMUJFWSA-N 1 0 371.441 2.702 20 5 FFBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[C@H]1[NH+](C)C ZINC000597534314 520086462 /nfs/dbraw/zinc/08/64/62/520086462.db2.gz VUDIQYWVNXTZFN-HUUCEWRRSA-N 1 0 367.471 2.546 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[NH+](CCO)CCO)cc1 ZINC000600178692 520105047 /nfs/dbraw/zinc/10/50/47/520105047.db2.gz BTRPQYCDTYUACH-UHFFFAOYSA-N 1 0 366.801 2.827 20 5 FFBDRO COc1cc(C[NH2+][C@@H]2CO[C@H](C3CC3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000600205845 520123302 /nfs/dbraw/zinc/12/33/02/520123302.db2.gz AVRQOKGHIKOYRW-JSGCOSHPSA-N 1 0 372.368 2.904 20 5 FFBDRO Cn1cc(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000608836180 520140545 /nfs/dbraw/zinc/14/05/45/520140545.db2.gz NDFQMCOSAKMQIW-FUHWJXTLSA-N 1 0 355.442 2.712 20 5 FFBDRO COCC[N@H+](C)CCNc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000608885617 520155854 /nfs/dbraw/zinc/15/58/54/520155854.db2.gz ASZFJZCYQPVANU-UHFFFAOYSA-N 1 0 357.410 2.816 20 5 FFBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000608900700 520157276 /nfs/dbraw/zinc/15/72/76/520157276.db2.gz POSJSXXIILCVDD-UHFFFAOYSA-N 1 0 355.379 2.906 20 5 FFBDRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000597714282 520193426 /nfs/dbraw/zinc/19/34/26/520193426.db2.gz HZDKMWJJVXRDRV-KRWDZBQOSA-N 1 0 351.834 2.735 20 5 FFBDRO C[N@@H+]1CCCC[C@H](CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000600312984 520199299 /nfs/dbraw/zinc/19/92/99/520199299.db2.gz WLWOOBSJYFPCDH-OAHLLOKOSA-N 1 0 360.458 2.657 20 5 FFBDRO Nc1cc(C[N@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)ccn1 ZINC000592132271 520208217 /nfs/dbraw/zinc/20/82/17/520208217.db2.gz GIPMEKOFEBFPOU-QAQDUYKDSA-N 1 0 356.426 2.708 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+][C@H]2CCc3ccc(O)cc32)cc1[N+](=O)[O-] ZINC000594979857 520240805 /nfs/dbraw/zinc/24/08/05/520240805.db2.gz MNWUTUOVPFMEDO-INIZCTEOSA-N 1 0 372.377 2.629 20 5 FFBDRO CCO[C@@H]1C[C@@H]([NH2+]CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1SC ZINC000592166742 520241509 /nfs/dbraw/zinc/24/15/09/520241509.db2.gz KQEKHJOMWMOGGR-KYOSRNDESA-N 1 0 373.862 2.685 20 5 FFBDRO COCc1csc(CNCc2cc3c(cc2[N+](=O)[O-])OCCO3)c1 ZINC000594982616 520242912 /nfs/dbraw/zinc/24/29/12/520242912.db2.gz BRNSSDMEEXERRF-UHFFFAOYSA-N 1 0 350.396 2.864 20 5 FFBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+][C@@H]1[C@@H]3Cc4cc(F)ccc4[C@@H]31)OCCO2 ZINC000594995542 520248285 /nfs/dbraw/zinc/24/82/85/520248285.db2.gz NHSMFLLAHBZWEK-MDASCCDHSA-N 1 0 356.353 2.933 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC(C)(C)C1(O)CCOCC1 ZINC000595044402 520267842 /nfs/dbraw/zinc/26/78/42/520267842.db2.gz MFNPECZOCXNGFK-CYBMUJFWSA-N 1 0 352.431 2.822 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000595046188 520268509 /nfs/dbraw/zinc/26/85/09/520268509.db2.gz JFZNARZLZMBORL-XQLPTFJDSA-N 1 0 351.447 2.752 20 5 FFBDRO O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000600472748 520278661 /nfs/dbraw/zinc/27/86/61/520278661.db2.gz PMXQUFWGEPMFHH-OAHLLOKOSA-N 1 0 369.425 2.527 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000597855998 520284823 /nfs/dbraw/zinc/28/48/23/520284823.db2.gz UIEKUYDYJJWXMU-CQSZACIVSA-N 1 0 371.441 2.631 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000597861703 520289043 /nfs/dbraw/zinc/28/90/43/520289043.db2.gz VRCWMCMZMRWYPT-CQSZACIVSA-N 1 0 361.442 2.794 20 5 FFBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000609348288 520289357 /nfs/dbraw/zinc/28/93/57/520289357.db2.gz SIHKMQPHXBUNGF-SFHVURJKSA-N 1 0 360.458 2.874 20 5 FFBDRO Cc1cccc(C(=O)NCC2CC[NH+](C3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000597879228 520301273 /nfs/dbraw/zinc/30/12/73/520301273.db2.gz WSXQMWAUBQCPBV-UHFFFAOYSA-N 1 0 361.442 2.524 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000597922687 520324236 /nfs/dbraw/zinc/32/42/36/520324236.db2.gz KVKHNSIHLGBGKR-SNVBAGLBSA-N 1 0 370.247 2.960 20 5 FFBDRO CN(C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000609509326 520336663 /nfs/dbraw/zinc/33/66/63/520336663.db2.gz PYUPCEUULQVJHJ-INIZCTEOSA-N 1 0 358.442 2.504 20 5 FFBDRO CC[C@H]1CN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000592332631 520338757 /nfs/dbraw/zinc/33/87/57/520338757.db2.gz OOCHJSGQQWKKOD-JOYOIKCWSA-N 1 0 356.220 2.557 20 5 FFBDRO COc1ccc(CC(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000595223790 520357504 /nfs/dbraw/zinc/35/75/04/520357504.db2.gz AUEYJYAHWNAYHC-HZPDHXFCSA-N 1 0 361.442 2.527 20 5 FFBDRO COC[C@](C)(O)C[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000609564499 520358026 /nfs/dbraw/zinc/35/80/26/520358026.db2.gz BYEZYWUZOONIPL-LJQANCHMSA-N 1 0 359.426 2.850 20 5 FFBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000595224351 520359427 /nfs/dbraw/zinc/35/94/27/520359427.db2.gz DIDCHVTZJAUSGG-NVXWUHKLSA-N 1 0 360.458 2.778 20 5 FFBDRO CCOc1cc(NC(=O)NCC[C@@H]([NH3+])C(C)C)c([N+](=O)[O-])cc1OCC ZINC000595230631 520363692 /nfs/dbraw/zinc/36/36/92/520363692.db2.gz AYHFQPDRFXBXCW-GFCCVEGCSA-N 1 0 368.434 2.887 20 5 FFBDRO Cc1nccc([C@H]2CCC[N@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)n1 ZINC000603834059 520370956 /nfs/dbraw/zinc/37/09/56/520370956.db2.gz GDTLHDJRDNDHLH-HNNXBMFYSA-N 1 0 369.425 2.901 20 5 FFBDRO CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000595266980 520379639 /nfs/dbraw/zinc/37/96/39/520379639.db2.gz CGIBEYCOLBQMPI-OALUTQOASA-N 1 0 369.421 2.869 20 5 FFBDRO Cc1c(CNC(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)cccc1[N+](=O)[O-] ZINC000595274136 520383611 /nfs/dbraw/zinc/38/36/11/520383611.db2.gz PAQFHBSSZPQLGL-QGZVFWFLSA-N 1 0 360.458 2.824 20 5 FFBDRO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000592422834 520384715 /nfs/dbraw/zinc/38/47/15/520384715.db2.gz NGUZXMDXVMDJRX-CYBMUJFWSA-N 1 0 370.356 2.992 20 5 FFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@]2(CO)CCCN(Cc3ccccc3)C2)c1 ZINC000609625536 520384985 /nfs/dbraw/zinc/38/49/85/520384985.db2.gz UZZVXBOFQPTBSW-HXUWFJFHSA-N 1 0 355.438 2.712 20 5 FFBDRO COc1cc(CN2CC[NH2+][C@@H](C(C)C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000592432395 520388358 /nfs/dbraw/zinc/38/83/58/520388358.db2.gz HHOQSAMPAXSUQB-CYBMUJFWSA-N 1 0 373.400 2.677 20 5 FFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000609792956 520432862 /nfs/dbraw/zinc/43/28/62/520432862.db2.gz ZXKRMJHLCREVOA-OAHLLOKOSA-N 1 0 351.834 2.878 20 5 FFBDRO O=C(CC[NH2+]C[C@@H](n1cccn1)C(F)(F)F)Nc1ccccc1[N+](=O)[O-] ZINC000600749293 520446300 /nfs/dbraw/zinc/44/63/00/520446300.db2.gz WQGIRURVRGFMFP-CYBMUJFWSA-N 1 0 371.319 2.513 20 5 FFBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1CC[NH2+]C12CCCC2 ZINC000592569988 520457813 /nfs/dbraw/zinc/45/78/13/520457813.db2.gz IXPRZJHJHNJOES-HNNXBMFYSA-N 1 0 367.833 2.808 20 5 FFBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)n1 ZINC000617405045 520477723 /nfs/dbraw/zinc/47/77/23/520477723.db2.gz XJYVEWYEQRLJFG-INIZCTEOSA-N 1 0 371.441 2.768 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](CO)[C@H](C)c1ccccc1 ZINC000613389783 520478807 /nfs/dbraw/zinc/47/88/07/520478807.db2.gz QROVPFFKIJODOP-KDOFPFPSSA-N 1 0 357.410 2.596 20 5 FFBDRO CCOC(=O)c1ccnc(NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000609963931 520492208 /nfs/dbraw/zinc/49/22/08/520492208.db2.gz JQVKYJWUSCZYCS-CHWSQXEVSA-N 1 0 350.419 2.841 20 5 FFBDRO Cc1noc(CN2CCN(c3cc[nH+]c4ccccc43)CC2)c1[N+](=O)[O-] ZINC000595483304 520500069 /nfs/dbraw/zinc/50/00/69/520500069.db2.gz FYMODBLCSJGPPO-UHFFFAOYSA-N 1 0 353.382 2.762 20 5 FFBDRO C[N@@H+]1CC[C@]2(C1)CCCN(Cc1nc(-c3cccc([N+](=O)[O-])c3)no1)C2 ZINC000595508391 520518508 /nfs/dbraw/zinc/51/85/08/520518508.db2.gz XBUZXHNZZHOQEC-SFHVURJKSA-N 1 0 357.414 2.563 20 5 FFBDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000598262963 520526995 /nfs/dbraw/zinc/52/69/95/520526995.db2.gz ODFGEEHFHHCMCB-AWEZNQCLSA-N 1 0 351.472 2.924 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000592881159 520631328 /nfs/dbraw/zinc/63/13/28/520631328.db2.gz LARBFAFOMAIVRK-APWZRJJASA-N 1 0 353.422 2.978 20 5 FFBDRO CCOC(=O)c1cnc2c(cccc2[N+](=O)[O-])c1N1CCC([NH+](C)C)CC1 ZINC000601103625 520636335 /nfs/dbraw/zinc/63/63/35/520636335.db2.gz DXBWMJGVWRQZCN-UHFFFAOYSA-N 1 0 372.425 2.850 20 5 FFBDRO O=[N+]([O-])c1cc(F)cnc1NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000601120603 520645124 /nfs/dbraw/zinc/64/51/24/520645124.db2.gz MBBNNJIHTQPSGN-UHFFFAOYSA-N 1 0 360.389 2.698 20 5 FFBDRO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N[C@@H]1CN(C)Cc2ccccc21 ZINC000601136224 520654579 /nfs/dbraw/zinc/65/45/79/520654579.db2.gz YPOKGANREVMGHG-LLVKDONJSA-N 1 0 355.320 2.946 20 5 FFBDRO COc1ccc(CC(=O)NC[C@H]2CC[N@@H+]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000598508291 520666287 /nfs/dbraw/zinc/66/62/87/520666287.db2.gz FWOBNFQUMBHAQK-QGZVFWFLSA-N 1 0 369.421 2.537 20 5 FFBDRO O=C(CCc1cccc([N+](=O)[O-])c1)NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000598511957 520671926 /nfs/dbraw/zinc/67/19/26/520671926.db2.gz VMUQXLQXTJDHGC-IBGZPJMESA-N 1 0 353.422 2.918 20 5 FFBDRO C[C@H](NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000610422073 520676709 /nfs/dbraw/zinc/67/67/09/520676709.db2.gz UQBGJHKCKVKUQR-JXFKEZNVSA-N 1 0 355.438 2.882 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C[C@H](C)O)C2CCCCC2)c1 ZINC000593012434 520684514 /nfs/dbraw/zinc/68/45/14/520684514.db2.gz XDKKXIWRCUAKIA-ZDUSSCGKSA-N 1 0 350.415 2.897 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@]2(CO)CC(C)C)c1 ZINC000593027073 520691635 /nfs/dbraw/zinc/69/16/35/520691635.db2.gz KMWCHIGLWYWGSN-GOSISDBHSA-N 1 0 350.415 2.754 20 5 FFBDRO Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])cn1 ZINC000595767780 520709184 /nfs/dbraw/zinc/70/91/84/520709184.db2.gz COICXUBCQHESBP-JKSUJKDBSA-N 1 0 371.441 2.658 20 5 FFBDRO O=C(C[N@@H+]1CCC[C@H]([C@H]2CCCCO2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000595788976 520725193 /nfs/dbraw/zinc/72/51/93/520725193.db2.gz ORIQCFFAMLUADY-QFBILLFUSA-N 1 0 373.453 2.765 20 5 FFBDRO Cc1c2cccc(C)c2oc1C[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000593088236 520734529 /nfs/dbraw/zinc/73/45/29/520734529.db2.gz YMYXUUKJHNCTHE-OAHLLOKOSA-N 1 0 358.398 2.647 20 5 FFBDRO C[C@H]1C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CCc2ccccc21 ZINC000593089824 520737211 /nfs/dbraw/zinc/73/72/11/520737211.db2.gz FNPKDMTXTORGOH-RDJZCZTQSA-N 1 0 356.422 2.996 20 5 FFBDRO Cc1ccc(S(=O)(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c(C)c1[N+](=O)[O-] ZINC000598614146 520743385 /nfs/dbraw/zinc/74/33/85/520743385.db2.gz JJHPMTKDTRHMQR-HUUCEWRRSA-N 1 0 367.471 2.507 20 5 FFBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)C3(c4ccc([N+](=O)[O-])cc4)CCC3)CC[C@@H]21 ZINC000601334229 520745753 /nfs/dbraw/zinc/74/57/53/520745753.db2.gz ZGEFKMFZJJSQQB-YJBOKZPZSA-N 1 0 357.454 2.959 20 5 FFBDRO C[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCc2ccc(F)cc21 ZINC000593115668 520756288 /nfs/dbraw/zinc/75/62/88/520756288.db2.gz HVAFFFIEQSGEEU-GFCCVEGCSA-N 1 0 357.385 2.995 20 5 FFBDRO Cn1nc(CC[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c2ccccc21 ZINC000614101133 520802414 /nfs/dbraw/zinc/80/24/14/520802414.db2.gz KFLVRDVPTWWQFL-UHFFFAOYSA-N 1 0 368.393 2.585 20 5 FFBDRO CNc1ccc(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000595967245 520841666 /nfs/dbraw/zinc/84/16/66/520841666.db2.gz PKQMUTNRLVWADO-NVXWUHKLSA-N 1 0 354.410 2.512 20 5 FFBDRO CC1([NH+]2CCCC2)CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000601588925 520853540 /nfs/dbraw/zinc/85/35/40/520853540.db2.gz YEXNOJBSXAQNKH-UHFFFAOYSA-N 1 0 360.458 2.797 20 5 FFBDRO NC(=O)c1cc(NCc2ccc(C[NH+]3CCCC3)cc2)ccc1[N+](=O)[O-] ZINC000596063089 520888520 /nfs/dbraw/zinc/88/85/20/520888520.db2.gz RAXYDVJNMTZIFK-UHFFFAOYSA-N 1 0 354.410 2.902 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CCc2nsc3ccccc23)c1 ZINC000596065912 520889970 /nfs/dbraw/zinc/88/99/70/520889970.db2.gz YGNHERMTYCUJSD-CQSZACIVSA-N 1 0 373.434 2.777 20 5 FFBDRO CC(C)[C@H](O)[C@@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000596065125 520890219 /nfs/dbraw/zinc/89/02/19/520890219.db2.gz DSVWOIZWWXHVSH-VDGAXYAQSA-N 1 0 374.437 2.682 20 5 FFBDRO CC(C)(C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC(F)(F)F ZINC000596070090 520893894 /nfs/dbraw/zinc/89/38/94/520893894.db2.gz MVGAHFYFVHRKKH-UHFFFAOYSA-N 1 0 368.377 2.937 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]Cc2cnccc2C(F)(F)F)c1 ZINC000596070896 520894121 /nfs/dbraw/zinc/89/41/21/520894121.db2.gz UXKYJUUAKQBMEC-CYBMUJFWSA-N 1 0 371.315 2.538 20 5 FFBDRO COc1cc(NC2CCN(CC[NH+](C)C)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596075952 520897705 /nfs/dbraw/zinc/89/77/05/520897705.db2.gz KTKBWALEVVSIOZ-UHFFFAOYSA-N 1 0 356.854 2.695 20 5 FFBDRO Cc1cc(N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)c([N+](=O)[O-])s1 ZINC000596097250 520909295 /nfs/dbraw/zinc/90/92/95/520909295.db2.gz DFFXGOJTQPFVOF-KBPBESRZSA-N 1 0 352.504 2.960 20 5 FFBDRO CC(C)c1n[nH]c(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000610951112 520917895 /nfs/dbraw/zinc/91/78/95/520917895.db2.gz GZESEVVKGXVFRX-TZMCWYRMSA-N 1 0 361.446 2.530 20 5 FFBDRO COc1cc(N[C@H]2CCN(C3CC[NH+](C)CC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596124312 520926456 /nfs/dbraw/zinc/92/64/56/520926456.db2.gz VHDOUZRMXUIRQV-LBPRGKRZSA-N 1 0 368.865 2.837 20 5 FFBDRO C[NH+]1CCC(n2cc(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])cn2)CC1 ZINC000601778908 520947538 /nfs/dbraw/zinc/94/75/38/520947538.db2.gz WCBGNYYYULVAGM-UHFFFAOYSA-N 1 0 363.805 2.964 20 5 FFBDRO NC(=O)c1cc(N2CCC(CCC[NH+]3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000596174980 520951792 /nfs/dbraw/zinc/95/17/92/520951792.db2.gz NVZKDMBTTPIWAM-UHFFFAOYSA-N 1 0 360.458 2.786 20 5 FFBDRO CCC1([NH+](C)C)CCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000601791902 520954673 /nfs/dbraw/zinc/95/46/73/520954673.db2.gz QFIPTIMOIADKPY-UHFFFAOYSA-N 1 0 355.385 2.748 20 5 FFBDRO COc1cc(NCc2ccnc(OCC[NH+](C)C)c2)c([N+](=O)[O-])cc1C ZINC000596179071 520955811 /nfs/dbraw/zinc/95/58/11/520955811.db2.gz LNBXHIXWPAYLEN-UHFFFAOYSA-N 1 0 360.414 2.859 20 5 FFBDRO Cc1c(Br)cc(C(=O)NCC[N@H+]2CC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000611073032 520970703 /nfs/dbraw/zinc/97/07/03/520970703.db2.gz QPHPRSPAYSVQSS-SNVBAGLBSA-N 1 0 370.247 2.737 20 5 FFBDRO C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCS1(=O)=O ZINC000599003247 520972541 /nfs/dbraw/zinc/97/25/41/520972541.db2.gz GDTUXCVCSQVFIK-IAQYHMDHSA-N 1 0 350.396 2.520 20 5 FFBDRO COc1cc(N2CCC[C@H](C[NH+]3CCOCC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596221739 520979224 /nfs/dbraw/zinc/97/92/24/520979224.db2.gz OFQYLPPZRJWMHZ-CYBMUJFWSA-N 1 0 369.849 2.805 20 5 FFBDRO CC[N@@H+]1CCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000611092118 520980783 /nfs/dbraw/zinc/98/07/83/520980783.db2.gz JDHZPBLESAPXLX-NWDGAFQWSA-N 1 0 354.838 2.601 20 5 FFBDRO CC(C)[C@H](CNc1ccc2cnccc2c1[N+](=O)[O-])[NH+]1CCN(C)CC1 ZINC000599022443 520985312 /nfs/dbraw/zinc/98/53/12/520985312.db2.gz KUPIMGKBLUXJHM-SFHVURJKSA-N 1 0 357.458 2.827 20 5 FFBDRO CC[C@H]([NH2+]C[C@H]1CN(Cc2ccncc2)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000599088370 521024466 /nfs/dbraw/zinc/02/44/66/521024466.db2.gz QMJZTOHMDLAVSO-PMACEKPBSA-N 1 0 370.453 2.932 20 5 FFBDRO C[N@@H+]1CCCN(CCCNc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1 ZINC000611181773 521028079 /nfs/dbraw/zinc/02/80/79/521028079.db2.gz SYRPHOVZYWXYOG-UHFFFAOYSA-N 1 0 369.469 2.518 20 5 FFBDRO C[C@H](NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)C1CC[NH+](C)CC1 ZINC000611210421 521038987 /nfs/dbraw/zinc/03/89/87/521038987.db2.gz QLVWELYELXWREL-AWEZNQCLSA-N 1 0 360.458 2.999 20 5 FFBDRO CC1(C)C[NH2+]CC[C@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000601971042 521048529 /nfs/dbraw/zinc/04/85/29/521048529.db2.gz AIKPAHINZRHPDX-NSHDSACASA-N 1 0 370.247 2.865 20 5 FFBDRO COCCNC(=O)C1CC[NH+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000611253702 521060176 /nfs/dbraw/zinc/06/01/76/521060176.db2.gz GVAXOBUWAVKJIB-UHFFFAOYSA-N 1 0 363.458 2.693 20 5 FFBDRO O=[N+]([O-])c1cccc(Cl)c1NC[C@@H]1CN(Cc2ccncc2)CCO1 ZINC000599183773 521075665 /nfs/dbraw/zinc/07/56/65/521075665.db2.gz UMVWGQZRSSISJY-CQSZACIVSA-N 1 0 362.817 2.956 20 5 FFBDRO CN1CCC[N@H+](CCCNc2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000611296743 521086189 /nfs/dbraw/zinc/08/61/89/521086189.db2.gz KILHHAXJBDGYGK-UHFFFAOYSA-N 1 0 358.389 2.636 20 5 FFBDRO COC(=O)c1cc(C)nc(N[C@H](C)C[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000596488195 521095504 /nfs/dbraw/zinc/09/55/04/521095504.db2.gz OKEHPJFGXRGBNE-CYBMUJFWSA-N 1 0 350.419 2.617 20 5 FFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)[C@H]1CN(C)CCO1 ZINC000611336968 521105029 /nfs/dbraw/zinc/10/50/29/521105029.db2.gz WPEOVZXFUKCYGZ-IIAWOOMASA-N 1 0 353.488 2.774 20 5 FFBDRO CCOC(=O)c1ccnc(NC[C@H]2CC[N@@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000596559589 521131995 /nfs/dbraw/zinc/13/19/95/521131995.db2.gz ZMVCUNROLAUCJV-OAHLLOKOSA-N 1 0 370.409 2.853 20 5 FFBDRO CS(=O)(=O)c1ccc(NC[C@@H]2CCC[N@H+](CC3CC3)C2)c([N+](=O)[O-])c1 ZINC000596570440 521138348 /nfs/dbraw/zinc/13/83/48/521138348.db2.gz LCAIPLJARBFHSJ-AWEZNQCLSA-N 1 0 367.471 2.532 20 5 FFBDRO Cn1ncc2c1CC(C)(C)C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C2 ZINC000596598726 521155967 /nfs/dbraw/zinc/15/59/67/521155967.db2.gz NXNDVAZOPLYTMC-UHFFFAOYSA-N 1 0 371.441 2.741 20 5 FFBDRO O=C(N[C@H]1C[C@@H]([NH+]2CCCC2)C1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000602170907 521185446 /nfs/dbraw/zinc/18/54/46/521185446.db2.gz JYRKQXPISYIPBJ-IYBDPMFKSA-N 1 0 358.442 2.552 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)n1 ZINC000611615883 521250672 /nfs/dbraw/zinc/25/06/72/521250672.db2.gz FKPKWXMMVRTRFO-HOTGVXAUSA-N 1 0 362.474 2.932 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000593913227 521286745 /nfs/dbraw/zinc/28/67/45/521286745.db2.gz UAOFKFIOIZYUKK-PRXAMGSTSA-N 1 0 367.833 2.603 20 5 FFBDRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(C(=O)c3c(Cl)cccc3[N+](=O)[O-])C2)C1 ZINC000593910679 521287482 /nfs/dbraw/zinc/28/74/82/521287482.db2.gz BDDHLZRHMWTJOG-LALPHHSUSA-N 1 0 367.833 2.607 20 5 FFBDRO CC1(C)CN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC[N@@H+]1CCO ZINC000615140576 521290022 /nfs/dbraw/zinc/29/00/22/521290022.db2.gz YNVKMAWBRFCQLW-UHFFFAOYSA-N 1 0 359.426 2.743 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000593920100 521292668 /nfs/dbraw/zinc/29/26/68/521292668.db2.gz XFQXCERPZOIPEQ-QGPMSJSTSA-N 1 0 361.442 2.713 20 5 FFBDRO O=[N+]([O-])c1ccc2ncnc(N3CCC(OCC[NH+]4CCCC4)CC3)c2c1 ZINC000611709618 521292620 /nfs/dbraw/zinc/29/26/20/521292620.db2.gz URQBPZGUSAFIAB-UHFFFAOYSA-N 1 0 371.441 2.619 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000599587994 521312818 /nfs/dbraw/zinc/31/28/18/521312818.db2.gz NCHSQHDDHBCFAW-ZYHUDNBSSA-N 1 0 360.336 2.894 20 5 FFBDRO C[C@@H]1CC[C@@H](NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C[NH2+]1 ZINC000599604354 521326170 /nfs/dbraw/zinc/32/61/70/521326170.db2.gz NGQGSFQLYRTZTL-PSASIEDQSA-N 1 0 357.208 2.619 20 5 FFBDRO CN(C)C(=O)C1CC[NH+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602436542 521345213 /nfs/dbraw/zinc/34/52/13/521345213.db2.gz VNRACJDMDVODME-UHFFFAOYSA-N 1 0 359.348 2.914 20 5 FFBDRO Cn1cc(C[N@H+](C)CCCc2cc(-c3ccc(F)cc3)n[nH]2)c([N+](=O)[O-])n1 ZINC000602454815 521356269 /nfs/dbraw/zinc/35/62/69/521356269.db2.gz QLJCPEVJDQNUGC-UHFFFAOYSA-N 1 0 372.404 2.922 20 5 FFBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCc2c(O)cccc2C1 ZINC000599647514 521359672 /nfs/dbraw/zinc/35/96/72/521359672.db2.gz PVNTWDAEGXTTRD-UHFFFAOYSA-N 1 0 369.377 2.657 20 5 FFBDRO COC(=O)[C@@](C)(NC[C@H]1CCCC[N@@H+]1C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000599651141 521361181 /nfs/dbraw/zinc/36/11/81/521361181.db2.gz HGTMWXDGPBRPEN-MJGOQNOKSA-N 1 0 363.458 2.836 20 5 FFBDRO CCC[N@@H+]1CC[C@@H](NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000596899114 521367145 /nfs/dbraw/zinc/36/71/45/521367145.db2.gz BSSJJSSPAIMOEH-LLVKDONJSA-N 1 0 371.235 2.963 20 5 FFBDRO C[C@H]1C[C@@H](NC(=O)c2c(Br)cccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000599659916 521373140 /nfs/dbraw/zinc/37/31/40/521373140.db2.gz LSMQKTVMFWJUDU-VHSXEESVSA-N 1 0 368.231 2.712 20 5 FFBDRO CCOC(=O)CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)C(C)C ZINC000594051109 521374566 /nfs/dbraw/zinc/37/45/66/521374566.db2.gz LZJYANGSSUNHSD-UHFFFAOYSA-N 1 0 351.403 2.505 20 5 FFBDRO CC(C)(C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)N1CCCCC1 ZINC000602501662 521381622 /nfs/dbraw/zinc/38/16/22/521381622.db2.gz DYYMTSAGXKSWFC-UHFFFAOYSA-N 1 0 361.490 2.813 20 5 FFBDRO COCc1ccccc1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602511053 521385853 /nfs/dbraw/zinc/38/58/53/521385853.db2.gz LLUKBEPMDCAZNS-UHFFFAOYSA-N 1 0 356.426 2.895 20 5 FFBDRO O=[N+]([O-])c1sc(CNC[C@H]2CC[N@@H+](C3CC3)C2)cc1Br ZINC000602508694 521386985 /nfs/dbraw/zinc/38/69/85/521386985.db2.gz DNGNTHITBGZJCE-SECBINFHSA-N 1 0 360.277 2.993 20 5 FFBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]C3CCN(Cc4ccccn4)CC3)nc2c1 ZINC000602517158 521390884 /nfs/dbraw/zinc/39/08/84/521390884.db2.gz WLQODYLZKUWSFL-UHFFFAOYSA-N 1 0 367.409 2.885 20 5 FFBDRO C[C@H](CN1CCC[C@@H](C)C1)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602522099 521392301 /nfs/dbraw/zinc/39/23/01/521392301.db2.gz CULABGKXQJDTIO-HZPDHXFCSA-N 1 0 361.490 2.669 20 5 FFBDRO [NH3+]C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[C@@H]1C(F)(F)F ZINC000602538948 521401007 /nfs/dbraw/zinc/40/10/07/521401007.db2.gz GAHJESNXDQRPSO-KCJUWKMLSA-N 1 0 365.739 2.848 20 5 FFBDRO CCc1ccc(C(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000602542126 521402980 /nfs/dbraw/zinc/40/29/80/521402980.db2.gz UDECNSKHNLNXPR-QWHCGFSZSA-N 1 0 359.348 2.757 20 5 FFBDRO CC(=O)NC[C@H]1CCCCN1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000599691504 521405306 /nfs/dbraw/zinc/40/53/06/521405306.db2.gz RYBOLWINKCHWHD-CQSZACIVSA-N 1 0 370.247 2.848 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCOCc3ccccc3)CC2)cn1 ZINC000602564724 521413277 /nfs/dbraw/zinc/41/32/77/521413277.db2.gz OAKNZUKYONOCGE-UHFFFAOYSA-N 1 0 356.426 2.765 20 5 FFBDRO O=[N+]([O-])c1sc(C[NH2+][C@H]2CCc3c[nH]nc3C2)cc1Br ZINC000602569541 521415815 /nfs/dbraw/zinc/41/58/15/521415815.db2.gz SXTLQMGGWGWQQC-QMMMGPOBSA-N 1 0 357.233 2.789 20 5 FFBDRO C[C@H](CO[C@H]1CCOC1)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602572377 521417572 /nfs/dbraw/zinc/41/75/72/521417572.db2.gz YWJCCXMKEVJMBJ-BDAKNGLRSA-N 1 0 365.249 2.702 20 5 FFBDRO COc1ccc2c(c1)OC[C@H]([NH2+]Cc1nc3cc([N+](=O)[O-])ccc3o1)C2 ZINC000602576459 521418525 /nfs/dbraw/zinc/41/85/25/521418525.db2.gz CGEWRVLQMIWKKG-GFCCVEGCSA-N 1 0 355.350 2.838 20 5 FFBDRO C[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[C@H](O)Cc1ccccc1 ZINC000602583165 521422638 /nfs/dbraw/zinc/42/26/38/521422638.db2.gz RBIGIUBMHUZDGV-HNAYVOBHSA-N 1 0 370.453 2.540 20 5 FFBDRO CN(C)[C@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccccc1 ZINC000602585672 521425749 /nfs/dbraw/zinc/42/57/49/521425749.db2.gz HATDWYHERVFVPX-LJQANCHMSA-N 1 0 369.469 2.851 20 5 FFBDRO C[C@@H]1C[C@H](NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC[N@@H+]1C ZINC000607688857 521430371 /nfs/dbraw/zinc/43/03/71/521430371.db2.gz YRGSADQOVQSAEQ-HZPDHXFCSA-N 1 0 363.461 2.754 20 5 FFBDRO O=[N+]([O-])c1sc(C[NH2+][C@@H]2CCn3ccnc3C2)cc1Br ZINC000602624231 521441095 /nfs/dbraw/zinc/44/10/95/521441095.db2.gz SVCVMCXYEZYQRO-MRVPVSSYSA-N 1 0 357.233 2.720 20 5 FFBDRO CN(CC[N@H+](C)C1CC1)C(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599770870 521459763 /nfs/dbraw/zinc/45/97/63/521459763.db2.gz CZDQPROOWYVBDO-UHFFFAOYSA-N 1 0 356.220 2.524 20 5 FFBDRO COc1cccc(CC2CC[NH+](CCn3cc([N+](=O)[O-])ccc3=O)CC2)c1 ZINC000612122376 521494503 /nfs/dbraw/zinc/49/45/03/521494503.db2.gz SZLZTSLENDVFSD-UHFFFAOYSA-N 1 0 371.437 2.720 20 5 FFBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597091545 521497361 /nfs/dbraw/zinc/49/73/61/521497361.db2.gz CMJOSTQODKWYCQ-ZWNOBZJWSA-N 1 0 367.837 2.921 20 5 FFBDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599830656 521499136 /nfs/dbraw/zinc/49/91/36/521499136.db2.gz WGIBPAJTDDCFSM-CYBMUJFWSA-N 1 0 357.414 2.949 20 5 FFBDRO Nc1c(NC(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc(Cl)cc1[N+](=O)[O-] ZINC000597095313 521501566 /nfs/dbraw/zinc/50/15/66/521501566.db2.gz RYYYPPMBGFIGFE-NSHDSACASA-N 1 0 353.810 2.532 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CCN(Cc1ccccc1)C[C@H](O)C(F)(F)F ZINC000602805989 521543917 /nfs/dbraw/zinc/54/39/17/521543917.db2.gz KPQPQKDQOYOVKD-AWEZNQCLSA-N 1 0 372.347 2.525 20 5 FFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CC[C@H](Cn3ccnn3)C2)o1 ZINC000597173054 521553921 /nfs/dbraw/zinc/55/39/21/521553921.db2.gz CXMACPSGGBPNCI-AWEZNQCLSA-N 1 0 353.382 2.968 20 5 FFBDRO COc1ccccc1O[C@@H]1CCC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602831453 521558162 /nfs/dbraw/zinc/55/81/62/521558162.db2.gz XOMBZEKCWDRYLJ-OAHLLOKOSA-N 1 0 360.414 2.652 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000602844495 521566089 /nfs/dbraw/zinc/56/60/89/521566089.db2.gz VBYCSUWJEXWYCG-SFHVURJKSA-N 1 0 356.426 2.953 20 5 FFBDRO CC(C)NC(=O)[C@@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000597232088 521586783 /nfs/dbraw/zinc/58/67/83/521586783.db2.gz PJXUXYCZAZQBNM-GFCCVEGCSA-N 1 0 371.384 2.933 20 5 FFBDRO Nc1cc(N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc(CO)c1[N+](=O)[O-] ZINC000619570347 521775660 /nfs/dbraw/zinc/77/56/60/521775660.db2.gz VIKQWKYBQVENMO-MRXNPFEDSA-N 1 0 356.426 2.746 20 5 FFBDRO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])c(-c2nn[nH]n2)c1)C1CCCCC1 ZINC000825848842 607840516 /nfs/dbraw/zinc/84/05/16/607840516.db2.gz GJCQLYZYNOWHDA-INIZCTEOSA-N 1 0 359.434 2.697 20 5 FFBDRO C[C@@H]([NH2+]CCOc1cccc(-c2nn[nH]n2)c1)c1ccccc1[N+](=O)[O-] ZINC000824598047 608563797 /nfs/dbraw/zinc/56/37/97/608563797.db2.gz AOESEUCVCYNZDU-GFCCVEGCSA-N 1 0 354.370 2.505 20 5 FFBDRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2ccc3cccc([N+](=O)[O-])c3n2)C1 ZINC001164731235 720513503 /nfs/dbraw/zinc/51/35/03/720513503.db2.gz VDOYKOFCEDELDZ-CQSZACIVSA-N 1 0 366.425 2.538 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ccc(N3CC4(C3)CC[N@H+](CC3CC3)C4)nn2)cc1 ZINC001164767933 721298028 /nfs/dbraw/zinc/29/80/28/721298028.db2.gz CCUNPXKKMURGLR-UHFFFAOYSA-N 1 0 365.437 2.974 20 5 FFBDRO Cn1cc([C@]2(C[NH2+]Cc3cc(Cl)ccc3[N+](=O)[O-])CCCO2)cn1 ZINC000898058039 735308340 /nfs/dbraw/zinc/30/83/40/735308340.db2.gz JHBOFXWHEWMWQZ-MRXNPFEDSA-N 1 0 350.806 2.777 20 5 FFBDRO O=C(NC1CC[NH+](C2CCOCC2)CC1)c1cc([N+](=O)[O-])ccc1Cl ZINC000898625511 735390667 /nfs/dbraw/zinc/39/06/67/735390667.db2.gz HCTPGODHXXUQGA-UHFFFAOYSA-N 1 0 367.833 2.621 20 5 FFBDRO O=C(NC1CC[NH+](C2CCOCC2)CC1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000898624952 735390359 /nfs/dbraw/zinc/39/03/59/735390359.db2.gz BAXZZHOFAYPIHQ-UHFFFAOYSA-N 1 0 367.833 2.621 20 5 FFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CCc3ncc(Br)n3C2)c1 ZINC000898727486 735401101 /nfs/dbraw/zinc/40/11/01/735401101.db2.gz XRJLFIFMHDPSFG-LLVKDONJSA-N 1 0 351.204 2.658 20 5 FFBDRO COC(=O)CC[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C1CCOCC1 ZINC000746672764 735504002 /nfs/dbraw/zinc/50/40/02/735504002.db2.gz IRCBMYSLLJKQJV-UHFFFAOYSA-N 1 0 356.806 2.792 20 5 FFBDRO COc1cc(C[N@H+](C)[C@@H](C)CNC(=O)OC(C)(C)C)ccc1[N+](=O)[O-] ZINC000778949680 738423827 /nfs/dbraw/zinc/42/38/27/738423827.db2.gz RKHNKDPVORXXOY-LBPRGKRZSA-N 1 0 353.419 2.948 20 5 FFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](C[C@H](O)c3cccc(Cl)c3)C2)nc1 ZINC000245459831 729570253 /nfs/dbraw/zinc/57/02/53/729570253.db2.gz VNGRFLOADNRNHV-ZBFHGGJFSA-N 1 0 362.817 2.863 20 5 FFBDRO COc1cc(CN2CC[C@]3(CCC[NH2+]3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000415141005 729851496 /nfs/dbraw/zinc/85/14/96/729851496.db2.gz OEWAWJSBQPYWGM-MRXNPFEDSA-N 1 0 357.357 2.533 20 5 FFBDRO C[C@H](C[N@H+](C)CCOc1ccccc1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000860098866 730476273 /nfs/dbraw/zinc/47/62/73/730476273.db2.gz TZKHPGNVKRRTAD-CYBMUJFWSA-N 1 0 353.419 2.819 20 5 FFBDRO C[C@@H](CNC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000865175490 730921378 /nfs/dbraw/zinc/92/13/78/730921378.db2.gz GMKGBKHLDLONJX-NSHDSACASA-N 1 0 370.247 2.500 20 5 FFBDRO C[NH+]1CCC(n2cc(NC(=S)Nc3ccc([N+](=O)[O-])cc3)cn2)CC1 ZINC000865250069 730930438 /nfs/dbraw/zinc/93/04/38/730930438.db2.gz NBPRJFRVCFJKHY-UHFFFAOYSA-N 1 0 360.443 2.867 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])c(N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)cc1Cl ZINC000866205021 731040512 /nfs/dbraw/zinc/04/05/12/731040512.db2.gz IUDIKVAHRIGUDD-ZWNOBZJWSA-N 1 0 353.806 2.565 20 5 FFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCCN1CCCO[C@@H](C)C1 ZINC000866347743 731051275 /nfs/dbraw/zinc/05/12/75/731051275.db2.gz JJGPLIOGPRYKTC-GJZGRUSLSA-N 1 0 353.438 2.755 20 5 FFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C1CCC(CS(C)(=O)=O)CC1 ZINC000866367488 731052404 /nfs/dbraw/zinc/05/24/04/731052404.db2.gz ZNPOKNXJNUZLTN-FUJMWEONSA-N 1 0 372.462 2.858 20 5 FFBDRO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000866386177 731054099 /nfs/dbraw/zinc/05/40/99/731054099.db2.gz BBIOUGQIQDUXOA-CLROSIBMSA-N 1 0 354.422 2.821 20 5 FFBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)C2CCN(S(C)(=O)=O)CC2)cc1[N+](=O)[O-] ZINC000925497621 738510615 /nfs/dbraw/zinc/51/06/15/738510615.db2.gz XGRVLBLVHVEGSI-KBPBESRZSA-N 1 0 369.487 2.614 20 5 FFBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)C2CCN(S(C)(=O)=O)CC2)cc1[N+](=O)[O-] ZINC000925497622 738510889 /nfs/dbraw/zinc/51/08/89/738510889.db2.gz XGRVLBLVHVEGSI-KGLIPLIRSA-N 1 0 369.487 2.614 20 5 FFBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)NCCc3ccc(Cl)cc3[N+](=O)[O-])CC[C@H]21 ZINC000868480608 731296504 /nfs/dbraw/zinc/29/65/04/731296504.db2.gz BKYOBZYYSPJTDA-UKRRQHHQSA-N 1 0 366.849 2.526 20 5 FFBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000872033930 731723036 /nfs/dbraw/zinc/72/30/36/731723036.db2.gz KKZZUQLTOWVPST-AEGPPILISA-N 1 0 351.472 2.831 20 5 FFBDRO C[C@H](NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872048003 731723912 /nfs/dbraw/zinc/72/39/12/731723912.db2.gz GAJRPLCBKDEVOK-NUTKFTJISA-N 1 0 351.422 2.762 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@H](CO)c2ccc(Cl)cc2)c1 ZINC000872246968 731745549 /nfs/dbraw/zinc/74/55/49/731745549.db2.gz IBZIOMSDVIMKBQ-WMLDXEAASA-N 1 0 350.802 2.647 20 5 FFBDRO CC1(C)CC[NH2+]CCN1C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000872295734 731750025 /nfs/dbraw/zinc/75/00/25/731750025.db2.gz HYFNZLHBGRPKNR-UHFFFAOYSA-N 1 0 355.822 2.618 20 5 FFBDRO COc1cc(C[NH2+]CCOC(F)(F)C(F)(F)F)c([N+](=O)[O-])cc1O ZINC000873159744 731882808 /nfs/dbraw/zinc/88/28/08/731882808.db2.gz WOLRLJLFTIKMBG-UHFFFAOYSA-N 1 0 360.235 2.570 20 5 FFBDRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000874825156 732104008 /nfs/dbraw/zinc/10/40/08/732104008.db2.gz WZQRPJNHULKEAN-RYUDHWBXSA-N 1 0 368.231 2.666 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3C)cc1SC ZINC000874835769 732105353 /nfs/dbraw/zinc/10/53/53/732105353.db2.gz ADXAQSOGIOANTC-STQMWFEESA-N 1 0 365.455 2.634 20 5 FFBDRO O=C(N[C@@H]1CC[NH2+]C12CCC2)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000877003776 732310236 /nfs/dbraw/zinc/31/02/36/732310236.db2.gz YQGMJGJFBTZEJX-LLVKDONJSA-N 1 0 372.194 2.511 20 5 FFBDRO [NH3+]C[C@@H]1CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC[C@H]1C(F)(F)F ZINC000877018237 732313275 /nfs/dbraw/zinc/31/32/75/732313275.db2.gz UCYCADUQRDWYAI-LDYMZIIASA-N 1 0 365.739 2.848 20 5 FFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@@H]3COC4(CCCCCC4)O3)C2)c1 ZINC000877141284 732328119 /nfs/dbraw/zinc/32/81/19/732328119.db2.gz GNWRLURVUSJORO-ZBCRRDGASA-N 1 0 350.419 2.550 20 5 FFBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CC1 ZINC000877180604 732331869 /nfs/dbraw/zinc/33/18/69/732331869.db2.gz PVWKNBBKUWKTKI-CZMCAQCFSA-N 1 0 374.210 2.744 20 5 FFBDRO CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000877608632 732397902 /nfs/dbraw/zinc/39/79/02/732397902.db2.gz XSWINDXCVVUBAF-OAHLLOKOSA-N 1 0 359.348 2.712 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000878174955 732493656 /nfs/dbraw/zinc/49/36/56/732493656.db2.gz VPFNSNXRVBUXTM-KGLIPLIRSA-N 1 0 350.444 2.749 20 5 FFBDRO CC[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCN(CC(F)(F)F)C1 ZINC000878943489 732619544 /nfs/dbraw/zinc/61/95/44/732619544.db2.gz GTMAWIDEYVWBED-LSDHHAIUSA-N 1 0 361.364 2.587 20 5 FFBDRO CC(C)[C@H]1CN([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC[N@@H+]1C ZINC000879601312 732731602 /nfs/dbraw/zinc/73/16/02/732731602.db2.gz NVDJSXXORJWGGT-BLLLJJGKSA-N 1 0 368.865 2.847 20 5 FFBDRO O=C(C[NH2+][C@@H]1CCC[C@]12CCCO2)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000880508191 732916300 /nfs/dbraw/zinc/91/63/00/732916300.db2.gz RGTFHQRACNBENE-ZBFHGGJFSA-N 1 0 353.806 2.878 20 5 FFBDRO Cc1ccccc1[C@@H](CO)[NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000782083244 738687376 /nfs/dbraw/zinc/68/73/76/738687376.db2.gz SCWZRJAFDDVYPC-OAHLLOKOSA-N 1 0 363.801 2.818 20 5 FFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1nc2c(s1)COCC2 ZINC000927114663 738692318 /nfs/dbraw/zinc/69/23/18/738692318.db2.gz GMOIAADFGYVKKO-JTQLQIEISA-N 1 0 351.403 2.984 20 5 FFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](O)c1ccnn1C ZINC000927135077 738695170 /nfs/dbraw/zinc/69/51/70/738695170.db2.gz LWQOTWCJEYORIW-DOMZBBRYSA-N 1 0 350.444 2.522 20 5 FFBDRO NC(=O)C1([NH+]2CCCCC2)CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000882816617 733298403 /nfs/dbraw/zinc/29/84/03/733298403.db2.gz RQNAFMLHWJMHAV-UHFFFAOYSA-N 1 0 366.849 2.558 20 5 FFBDRO C[C@H]([NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])C(C)(C)n1cncn1 ZINC000883294667 733361427 /nfs/dbraw/zinc/36/14/27/733361427.db2.gz GWNPXYAMOSMCOL-JTQLQIEISA-N 1 0 368.235 2.862 20 5 FFBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC[C@@H]1CCCS1(=O)=O ZINC000883309861 733367006 /nfs/dbraw/zinc/36/70/06/733367006.db2.gz WCKBJXLNDXDOTE-AAEUAGOBSA-N 1 0 358.485 2.935 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000782763118 738754106 /nfs/dbraw/zinc/75/41/06/738754106.db2.gz JWJWBWJBKCRSAH-GFCCVEGCSA-N 1 0 369.849 2.958 20 5 FFBDRO COC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC(C)C)[C@H]1CCCOC1 ZINC000886907526 733855795 /nfs/dbraw/zinc/85/57/95/733855795.db2.gz DRZNXKYUGAELMF-YOEHRIQHSA-N 1 0 352.431 2.913 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CCC23CC[NH+](C)CC3)cc1SC ZINC000889224672 734154196 /nfs/dbraw/zinc/15/41/96/734154196.db2.gz ROKKPOKMMARKBV-UHFFFAOYSA-N 1 0 365.455 2.636 20 5 FFBDRO Cc1ccc([C@H](C)NC(=O)NC[C@H]2C[NH2+]CCC2(F)F)cc1[N+](=O)[O-] ZINC000891650619 734456744 /nfs/dbraw/zinc/45/67/44/734456744.db2.gz TXIZIAHTWAKFAI-WCQYABFASA-N 1 0 356.373 2.508 20 5 FFBDRO C[C@]1(Br)C[C@H]1C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000892078500 734512640 /nfs/dbraw/zinc/51/26/40/734512640.db2.gz NNZPRCFSJWHBIQ-MJVIPROJSA-N 1 0 355.236 2.650 20 5 FFBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@H](O)COCc2ccccc2)c1 ZINC000731450565 734679192 /nfs/dbraw/zinc/67/91/92/734679192.db2.gz LJPKINLTBNWDEX-INIZCTEOSA-N 1 0 350.802 2.916 20 5 FFBDRO CN(C(=O)c1cc([N+](=O)[O-])ccc1Br)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000732036538 734713341 /nfs/dbraw/zinc/71/33/41/734713341.db2.gz SNYSNNBURRBCSF-LBPRGKRZSA-N 1 0 368.231 2.666 20 5 FFBDRO CN1CC[N@H+](C)C[C@@H]1CNc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000732050625 734714460 /nfs/dbraw/zinc/71/44/60/734714460.db2.gz XVLWOVVDPSKBSL-VIFPVBQESA-N 1 0 366.771 2.925 20 5 FFBDRO COc1c(O)ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)c1[N+](=O)[O-] ZINC000894700176 734902671 /nfs/dbraw/zinc/90/26/71/734902671.db2.gz LQEGBWJLNCSPAL-ZNMIVQPWSA-N 1 0 350.415 2.825 20 5 FFBDRO CC(C)C[C@H](CNc1ccc([N+](=O)[O-])cc1N1CCOC1=O)[NH+](C)C ZINC000742391644 735235555 /nfs/dbraw/zinc/23/55/55/735235555.db2.gz AOSJQLGXDKYYGK-CQSZACIVSA-N 1 0 350.419 2.940 20 5 FFBDRO O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000752103470 735957769 /nfs/dbraw/zinc/95/77/69/735957769.db2.gz QXJVZRPPGOKAEK-CYBMUJFWSA-N 1 0 367.833 2.575 20 5 FFBDRO COc1cc(C(=O)OCC[C@@H]2CCCC[N@@H+]2C)c([N+](=O)[O-])cc1OC ZINC000752449330 735987268 /nfs/dbraw/zinc/98/72/68/735987268.db2.gz WJAXBYXMHRHCJZ-LBPRGKRZSA-N 1 0 352.387 2.643 20 5 FFBDRO Cc1c(Br)cc(C(=O)N[C@@H](C[NH+](C)C)C(C)C)cc1[N+](=O)[O-] ZINC000753038296 736033220 /nfs/dbraw/zinc/03/32/20/736033220.db2.gz UGUGOFVUVWMXKB-ZDUSSCGKSA-N 1 0 372.263 2.982 20 5 FFBDRO COc1cc([C@H](C)[NH2+]Cc2cccc(S(C)(=O)=O)c2)cc([N+](=O)[O-])c1 ZINC000903177716 736049496 /nfs/dbraw/zinc/04/94/96/736049496.db2.gz AFNXOXFQRZDUOK-LBPRGKRZSA-N 1 0 364.423 2.858 20 5 FFBDRO COc1cc([C@@H](C)[NH2+]CC[S@@](=O)CC(F)(F)F)cc([N+](=O)[O-])c1 ZINC000903201654 736054002 /nfs/dbraw/zinc/05/40/02/736054002.db2.gz ZAXTVOSKMQFOEU-XQHREBAHSA-N 1 0 354.350 2.565 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CC2C[C@H]3CC[C@@H](C2)S3)c1 ZINC000905507415 736347943 /nfs/dbraw/zinc/34/79/43/736347943.db2.gz BLIXPCCCCSVFER-RYLNMFRWSA-N 1 0 352.456 2.598 20 5 FFBDRO C[C@H]1CCCC[N@@H+]1CCNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000756778359 736361201 /nfs/dbraw/zinc/36/12/01/736361201.db2.gz UZWDZKMYAJTNRK-LBPRGKRZSA-N 1 0 354.838 2.922 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000906791357 736543862 /nfs/dbraw/zinc/54/38/62/736543862.db2.gz LCGAMOLJBKMBBK-ZWNOBZJWSA-N 1 0 354.838 2.633 20 5 FFBDRO C[NH+](C)[C@H]1CCCN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000759968766 736607571 /nfs/dbraw/zinc/60/75/71/736607571.db2.gz YRBJZMNTHSKCLD-ZDUSSCGKSA-N 1 0 354.838 2.603 20 5 FFBDRO C[NH+](C)[C@@H](CNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2)c1ccsc1 ZINC000761875476 736768250 /nfs/dbraw/zinc/76/82/50/736768250.db2.gz LYRCDYNZOPPMAC-AWEZNQCLSA-N 1 0 362.411 2.702 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CCOC3CCSCC3)CC2)cc1 ZINC000929154907 738949004 /nfs/dbraw/zinc/94/90/04/738949004.db2.gz UYGOGWSVIFHZIW-UHFFFAOYSA-N 1 0 351.472 2.629 20 5 FFBDRO Cc1ccc(N2CC[NH+](CCCCO)CC2)c([N+](=O)[O-])c1Br ZINC000804502712 740879336 /nfs/dbraw/zinc/87/93/36/740879336.db2.gz YOYGDISXXBAWKP-UHFFFAOYSA-N 1 0 372.263 2.560 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)OCC[NH+]2CCCCC2)cc1SC ZINC000770365916 737619154 /nfs/dbraw/zinc/61/91/54/737619154.db2.gz PIKBYCIAERUSPX-UHFFFAOYSA-N 1 0 354.428 2.968 20 5 FFBDRO CC(C)(C)CC[NH+]1CCN(Cn2cc(Br)c([N+](=O)[O-])n2)CC1 ZINC000917619715 737768630 /nfs/dbraw/zinc/76/86/30/737768630.db2.gz SIKWXWFGMPRISL-UHFFFAOYSA-N 1 0 374.283 2.565 20 5 FFBDRO O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000773415056 737903992 /nfs/dbraw/zinc/90/39/92/737903992.db2.gz LMNCYGPLBKTELB-CQSZACIVSA-N 1 0 367.833 2.575 20 5 FFBDRO C[C@](O)(C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)c1ccsc1 ZINC000774196283 737967598 /nfs/dbraw/zinc/96/75/98/737967598.db2.gz AEEWFRZAYOWAQT-FMKPAKJESA-N 1 0 350.444 2.834 20 5 FFBDRO CS[C@@H]1CN(c2cc(Br)ccc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000774536126 737998661 /nfs/dbraw/zinc/99/86/61/737998661.db2.gz IPRCITZOPYEYHJ-QWHCGFSZSA-N 1 0 360.277 2.839 20 5 FFBDRO CC(C)[C@@H]1C[N@H+](C)CCN1Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000774639138 738008366 /nfs/dbraw/zinc/00/83/66/738008366.db2.gz UATZRHUYRBJQGC-HNNXBMFYSA-N 1 0 351.838 2.827 20 5 FFBDRO COC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000775352344 738085864 /nfs/dbraw/zinc/08/58/64/738085864.db2.gz RVNJXWRSZAGKDF-TZMCWYRMSA-N 1 0 351.403 2.560 20 5 FFBDRO C[NH+](C)C1(CNC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000922225863 738108149 /nfs/dbraw/zinc/10/81/49/738108149.db2.gz PGFSAIFFXQMGDN-UHFFFAOYSA-N 1 0 360.336 2.507 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC1CCC(S(C)(=O)=O)CC1 ZINC000922418455 738141625 /nfs/dbraw/zinc/14/16/25/738141625.db2.gz UOCCPTDGHFALGZ-UHFFFAOYSA-N 1 0 354.472 2.905 20 5 FFBDRO COc1cc(C[NH2+]C[C@H]2CC[C@H](C(F)(F)F)O2)c([N+](=O)[O-])cc1O ZINC000922462980 738149524 /nfs/dbraw/zinc/14/95/24/738149524.db2.gz QAHNURMNWICEPF-NOZJJQNGSA-N 1 0 350.293 2.509 20 5 FFBDRO C[NH+](C)Cc1ccccc1NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000776793072 738234100 /nfs/dbraw/zinc/23/41/00/738234100.db2.gz XCKQVGNDUQPFBL-UHFFFAOYSA-N 1 0 363.439 2.641 20 5 FFBDRO C[C@@]1([C@H]2CCC[N@H+](Cc3cc(Cl)ccc3[N+](=O)[O-])C2)COC(=O)N1 ZINC000932024290 739375539 /nfs/dbraw/zinc/37/55/39/739375539.db2.gz IEMTYIBALDGTQC-LRDDRELGSA-N 1 0 353.806 2.959 20 5 FFBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000790531036 739465918 /nfs/dbraw/zinc/46/59/18/739465918.db2.gz RVYSWYVZUZSMNU-LLVKDONJSA-N 1 0 357.813 2.920 20 5 FFBDRO CC(C)(C)c1csc(CC2(O)C[C@H]3CC[C@@H](C2)[N@H+]3CC[N+](=O)[O-])n1 ZINC000932751857 739509232 /nfs/dbraw/zinc/50/92/32/739509232.db2.gz XVDREMIBMJOPRF-MPYYAJLASA-N 1 0 353.488 2.618 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)C[C@H]1C ZINC000933371286 739611586 /nfs/dbraw/zinc/61/15/86/739611586.db2.gz SKBDCAAALVHGIP-ZJUUUORDSA-N 1 0 372.828 2.914 20 5 FFBDRO CC(C)[NH+]1CCN(CCCOC(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000791994689 739623804 /nfs/dbraw/zinc/62/38/04/739623804.db2.gz LMTSUEPEYRLEAO-UHFFFAOYSA-N 1 0 369.849 2.821 20 5 FFBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC000933436616 739624780 /nfs/dbraw/zinc/62/47/80/739624780.db2.gz USEFGVWPLFOPOW-SWLSCSKDSA-N 1 0 353.850 2.979 20 5 FFBDRO C[C@@H]1C[C@@H](NC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000934392855 739780461 /nfs/dbraw/zinc/78/04/61/739780461.db2.gz CYLOKQWSEZAZSV-VXGBXAGGSA-N 1 0 351.834 2.922 20 5 FFBDRO C[C@@]1(C2CC2)COCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000934477434 739790538 /nfs/dbraw/zinc/79/05/38/739790538.db2.gz JRFOLSHILRWJSI-KRWDZBQOSA-N 1 0 351.378 2.563 20 5 FFBDRO O=[N+]([O-])c1cccc([N+](=O)[O-])c1NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000804349670 740862831 /nfs/dbraw/zinc/86/28/31/740862831.db2.gz PRZJFUXXNWNZOD-ZDUSSCGKSA-N 1 0 350.375 2.558 20 5 FFBDRO Cc1ccc(NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c([N+](=O)[O-])c1Br ZINC000804397639 740869102 /nfs/dbraw/zinc/86/91/02/740869102.db2.gz ZXWNVOBOFGMAEE-VXGBXAGGSA-N 1 0 370.247 2.941 20 5 FFBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(C)C[C@H]1CCC[N@@H+]1C ZINC000817292264 742118727 /nfs/dbraw/zinc/11/87/27/742118727.db2.gz SCQNKSBOEBBGRS-WCQYABFASA-N 1 0 354.838 2.601 20 5 FFBDRO Cc1cccc(Cl)c1C[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001001400532 742118825 /nfs/dbraw/zinc/11/88/25/742118825.db2.gz UAVGGKVSVWUPRZ-RHSMWYFYSA-N 1 0 365.861 2.642 20 5 FFBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000818000130 742227934 /nfs/dbraw/zinc/22/79/34/742227934.db2.gz HEHWEIMFVNRPRS-ABAIWWIYSA-N 1 0 369.824 2.920 20 5 FFBDRO CC(C)(C)[C@H](C[NH3+])NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000818006974 742229346 /nfs/dbraw/zinc/22/93/46/742229346.db2.gz SQVNIHPDNRWIIP-JTQLQIEISA-N 1 0 362.199 2.600 20 5 FFBDRO C[C@H](CCNC(=O)OC(C)(C)C)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819213205 742354825 /nfs/dbraw/zinc/35/48/25/742354825.db2.gz DIZNJSASSPNBJD-IUODEOHRSA-N 1 0 353.419 2.521 20 5 FFBDRO CC1CCC2(CC1)OC[C@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)O2 ZINC000819215366 742355259 /nfs/dbraw/zinc/35/52/59/742355259.db2.gz HJCUEVXKOGWSCG-KHCOKFHASA-N 1 0 350.415 2.540 20 5 FFBDRO C[C@@H]1CN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C[C@H](C)[N@H+]1C ZINC000821564987 742642929 /nfs/dbraw/zinc/64/29/29/742642929.db2.gz ZBQHBWGCPCXCFM-AOOOYVTPSA-N 1 0 371.235 2.914 20 5 FFBDRO O=C(N[C@H]1CC[C@H]([NH2+]Cc2cccc(Cl)c2F)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001034643210 742927659 /nfs/dbraw/zinc/92/76/59/742927659.db2.gz KFLXWFCVDASIHJ-RGCMKSIDSA-N 1 0 369.824 2.661 20 5 FFBDRO COCC(C)(C)[NH+]1CCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000823972160 743005804 /nfs/dbraw/zinc/00/58/04/743005804.db2.gz OQRUUMARWIWJOD-UHFFFAOYSA-N 1 0 370.837 2.823 20 5 FFBDRO Cn1ccnc1[C@@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CCO1 ZINC000825326265 743248646 /nfs/dbraw/zinc/24/86/46/743248646.db2.gz KZBLXVCTVWWZBE-DOMZBBRYSA-N 1 0 350.806 2.992 20 5 FFBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)CC[C@@H]21 ZINC000827296196 743549780 /nfs/dbraw/zinc/54/97/80/743549780.db2.gz CUGGXENDNKZWTD-YGRLFVJLSA-N 1 0 357.332 2.780 20 5 FFBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC[C@H]21 ZINC000827308980 743552791 /nfs/dbraw/zinc/55/27/91/743552791.db2.gz DTXHRFONAXZOLO-ZWNOBZJWSA-N 1 0 357.332 2.780 20 5 FFBDRO O=[N+]([O-])c1ccc(Br)cc1NC[C@@H]1CCC[N@H+]1CCCO ZINC000828420519 745065100 /nfs/dbraw/zinc/06/51/00/745065100.db2.gz CPYGIYNKLKKWRE-LBPRGKRZSA-N 1 0 358.236 2.616 20 5 FFBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)c1cccn1C1CC[NH2+]CC1 ZINC000831218202 745499948 /nfs/dbraw/zinc/49/99/48/745499948.db2.gz WSOMZYFLMCGOLC-UHFFFAOYSA-N 1 0 362.817 2.904 20 5 FFBDRO CSc1ccc([C@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])[NH+](C)C)cc1 ZINC000832932931 745766358 /nfs/dbraw/zinc/76/63/58/745766358.db2.gz DWXMYYVTFAIDHW-HNNXBMFYSA-N 1 0 353.488 2.963 20 5 FFBDRO CCO[C@H]1COCC[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1Br ZINC000839567818 746858268 /nfs/dbraw/zinc/85/82/68/746858268.db2.gz QLRAEKUAGVGVQJ-AAEUAGOBSA-N 1 0 359.220 2.641 20 5 FFBDRO NC(=O)[C@@]1(c2ccccc2)CC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000839643771 746880680 /nfs/dbraw/zinc/88/06/80/746880680.db2.gz SXSNGFMIFXLDEY-SFHVURJKSA-N 1 0 359.813 2.877 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]Cc2cccc3c2OC(F)(F)O3)cc1 ZINC000840893679 747216493 /nfs/dbraw/zinc/21/64/93/747216493.db2.gz KVPCYLGHZGRLST-ZDUSSCGKSA-N 1 0 352.293 2.740 20 5 FFBDRO C[C@H]1CCCN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)[C@H]1C[NH3+] ZINC000841162629 747285328 /nfs/dbraw/zinc/28/53/28/747285328.db2.gz YFNWQKDHQVMYMD-ZANVPECISA-N 1 0 371.235 2.948 20 5 FFBDRO [NH3+]C[C@@H](NCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C1CCCCC1 ZINC000842476241 747612794 /nfs/dbraw/zinc/61/27/94/747612794.db2.gz JZYMULIIEUYMBE-CQSZACIVSA-N 1 0 354.838 2.684 20 5 FFBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000842475141 747612835 /nfs/dbraw/zinc/61/28/35/747612835.db2.gz LDHZLRITRFZBEF-SJKOYZFVSA-N 1 0 366.849 2.651 20 5 FFBDRO C[NH2+]CCC1CCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000843452821 747838960 /nfs/dbraw/zinc/83/89/60/747838960.db2.gz RZQPFGSVBQZBAD-UHFFFAOYSA-N 1 0 357.813 2.778 20 5 FFBDRO CS[C@@H]1CN(C(=O)c2c(C)c(F)ccc2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000843854290 747912352 /nfs/dbraw/zinc/91/23/52/747912352.db2.gz KDRHLSGTGLYAJW-LSDHHAIUSA-N 1 0 367.446 2.694 20 5 FFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCS(=O)(=O)CC(F)(F)F ZINC000850364757 749353554 /nfs/dbraw/zinc/35/35/54/749353554.db2.gz RNQDCZAYAZZDGW-XFFZJAGNSA-N 1 0 366.361 2.565 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c(C(F)(F)F)c1 ZINC000853966352 750211539 /nfs/dbraw/zinc/21/15/39/750211539.db2.gz SVDBJPXAAWPQKI-CYBMUJFWSA-N 1 0 359.348 2.649 20 5 FFBDRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])C2 ZINC000854734896 750361187 /nfs/dbraw/zinc/36/11/87/750361187.db2.gz FRPXFQYXEHUYFI-KRWDZBQOSA-N 1 0 369.824 2.874 20 5 FFBDRO C[C@@H](NC(=O)c1cc2ccccc2c2cccnc12)[C@H]1C[N@H+](C)CCN1C ZINC000896569848 971594656 /nfs/dbraw/zinc/59/46/56/971594656.db2.gz JESHXHYSVYJZLD-FOIQADDNSA-N 1 0 362.477 2.752 20 5 FFBDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C1 ZINC001576179855 949929329 /nfs/dbraw/zinc/92/93/29/949929329.db2.gz MHNYZMAIGGBXHL-GFCCVEGCSA-N 1 0 359.434 2.697 20 5 FFBDRO O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000333816811 972396191 /nfs/dbraw/zinc/39/61/91/972396191.db2.gz KGVLNPUEVNJLFU-QFIPXVFZSA-N 1 0 361.445 2.509 20 5 FFBDRO COC(=O)c1cnc(-n2c3ccc(F)cc3c3c2CC[NH2+]C3)c([N+](=O)[O-])c1 ZINC001167084425 959811806 /nfs/dbraw/zinc/81/18/06/959811806.db2.gz KCGVCSNVZMUPNH-UHFFFAOYSA-N 1 0 370.340 2.505 20 5 FFBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc(C2(CC3CCC3)CC[NH2+]CC2)n1 ZINC001211503186 959929311 /nfs/dbraw/zinc/92/93/11/959929311.db2.gz QQSCIZLGJVTLJX-UHFFFAOYSA-N 1 0 361.377 2.990 20 5 FFBDRO CCCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC[NH+](CC2CC(C)(C)C2)CC1 ZINC001266386352 960196667 /nfs/dbraw/zinc/19/66/67/960196667.db2.gz BOVTXRMQRNOXFD-IAGOWNOFSA-N 1 0 351.491 2.791 20 5 FFBDRO CC[NH+]1CCN(c2ccc(C[NH2+]Cc3cccc([N+](=O)[O-])c3C)cn2)CC1 ZINC000873015085 1013347773 /nfs/dbraw/zinc/34/77/73/1013347773.db2.gz XXLACTZCXRMNHJ-UHFFFAOYSA-N 1 0 369.469 2.730 20 5 FFBDRO Cn1c2ccccc2c(N2CCC(C[NH+]3CCCC3)CC2)c([N+](=O)[O-])c1=O ZINC000891871741 965272357 /nfs/dbraw/zinc/27/23/57/965272357.db2.gz CKMGQEUGJFYGQN-UHFFFAOYSA-N 1 0 370.453 2.759 20 5 FFBDRO C[C@@H]1C[C@@H](C)N(C(=O)Nc2cc(N3CC[NH+](C)CC3)ccc2[N+](=O)[O-])C1 ZINC000934041990 965541174 /nfs/dbraw/zinc/54/11/74/965541174.db2.gz MUCNNJUBRZIJSY-ZIAGYGMSSA-N 1 0 361.446 2.609 20 5 FFBDRO C[NH+](C)[C@H]1C[C@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1(C)C ZINC001299819606 965854319 /nfs/dbraw/zinc/85/43/19/965854319.db2.gz BEOJPCIEJUEWAO-STQMWFEESA-N 1 0 370.247 2.816 20 5 FFBDRO CC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[NH+](CC2CCCCCC2)CC1 ZINC001270880133 967472020 /nfs/dbraw/zinc/47/20/20/967472020.db2.gz VNUIWRXVUCMAJM-IAGOWNOFSA-N 1 0 351.491 2.840 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)n1 ZINC001270925154 967823654 /nfs/dbraw/zinc/82/36/54/967823654.db2.gz HZRQEABZRUUDLR-HXUWFJFHSA-N 1 0 368.437 2.940 20 5 FFBDRO COc1c(O)ccc(C[NH2+]C[C@H](Cc2ccccc2)N(C)C)c1[N+](=O)[O-] ZINC000892451169 968845664 /nfs/dbraw/zinc/84/56/64/968845664.db2.gz PQQSEWHZDCFIAD-INIZCTEOSA-N 1 0 359.426 2.572 20 5 FFBDRO Cc1ccc(CNC(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000892537009 969402049 /nfs/dbraw/zinc/40/20/49/969402049.db2.gz NHSWYSGHJZWSCO-KRWDZBQOSA-N 1 0 360.458 2.824 20 5 FFBDRO Cc1ccc(CNC(=O)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000892537464 969404822 /nfs/dbraw/zinc/40/48/22/969404822.db2.gz VLQQAUWAUGNIGZ-IRXDYDNUSA-N 1 0 360.458 2.824 20 5 FFBDRO C[C@@H]1C[C@H](Oc2cccc(I)c2[N+](=O)[O-])CC[NH2+]1 ZINC001218060470 969414708 /nfs/dbraw/zinc/41/47/08/969414708.db2.gz MQROZAMSZGDFMR-RKDXNWHRSA-N 1 0 362.167 2.719 20 5 FFBDRO Cc1cc(C)c(OC(=O)[C@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)c([N+](=O)[O-])c1 ZINC000875062455 1013960238 /nfs/dbraw/zinc/96/02/38/1013960238.db2.gz UPODVVIIRNWLCB-HOTGVXAUSA-N 1 0 372.425 2.586 20 5 FFBDRO Cc1cc(C)c(OC(=O)[C@@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)c([N+](=O)[O-])c1 ZINC000875062456 1013960328 /nfs/dbraw/zinc/96/03/28/1013960328.db2.gz UPODVVIIRNWLCB-HZPDHXFCSA-N 1 0 372.425 2.586 20 5 FFBDRO COc1ccccc1N1CC[C@@H]([NH2+]Cc2ccc(O)c(OC)c2[N+](=O)[O-])C1 ZINC000893111402 970610370 /nfs/dbraw/zinc/61/03/70/970610370.db2.gz RUVZZQCZEQYLMC-CQSZACIVSA-N 1 0 373.409 2.686 20 5 FFBDRO CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](C[NH2+]CCc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000896899420 972591925 /nfs/dbraw/zinc/59/19/25/972591925.db2.gz CJZRDPCLNZICPZ-OSYLJGHBSA-N 1 0 361.442 2.840 20 5 FFBDRO CC[NH+]1CCN(c2cc(N(C)C(=O)CC(F)(F)F)cc([N+](=O)[O-])c2)CC1 ZINC000876231078 1014190149 /nfs/dbraw/zinc/19/01/49/1014190149.db2.gz OFMVXWZOKUWRBH-UHFFFAOYSA-N 1 0 374.363 2.652 20 5 FFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[N@H+](CCc2ccc3ccccc3c2)CC1 ZINC000981137629 976263258 /nfs/dbraw/zinc/26/32/58/976263258.db2.gz AVROPBWBMNWPIW-WOJBJXKFSA-N 1 0 367.449 2.582 20 5 FFBDRO C[NH+](C)CC1CCC(NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)CC1 ZINC000126070242 977295668 /nfs/dbraw/zinc/29/56/68/977295668.db2.gz QPOHMYHSXQYONO-UHFFFAOYSA-N 1 0 360.458 2.783 20 5 FFBDRO C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000899809654 977344408 /nfs/dbraw/zinc/34/44/08/977344408.db2.gz BNFDMRQRHYEDJP-ZDUSSCGKSA-N 1 0 365.393 2.822 20 5 FFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]Cc3ccc(Cn4cccn4)cc3)C2)c1 ZINC000876872748 1014406921 /nfs/dbraw/zinc/40/69/21/1014406921.db2.gz LPAWNFAHRGCNDV-UHFFFAOYSA-N 1 0 352.398 2.529 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000876919490 1014420746 /nfs/dbraw/zinc/42/07/46/1014420746.db2.gz VIJLFHPUQOKDAF-CRAIPNDOSA-N 1 0 361.442 2.570 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000876919493 1014420879 /nfs/dbraw/zinc/42/08/79/1014420879.db2.gz VIJLFHPUQOKDAF-YJBOKZPZSA-N 1 0 361.442 2.570 20 5 FFBDRO C[C@@H](c1ccccc1)N1CC[C@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000877019894 1014450612 /nfs/dbraw/zinc/45/06/12/1014450612.db2.gz HGSSRDHKOZHHGL-WSDZMALLSA-N 1 0 355.442 2.920 20 5 FFBDRO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877073940 1014469239 /nfs/dbraw/zinc/46/92/39/1014469239.db2.gz WAUXUJJGPLDYBU-GIESBBMHSA-N 1 0 369.469 2.995 20 5 FFBDRO [NH3+]CC12CCC(CC1)N2C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000877191358 1014505707 /nfs/dbraw/zinc/50/57/07/1014505707.db2.gz RANPIFLOOWNUTC-UHFFFAOYSA-N 1 0 361.445 2.637 20 5 FFBDRO CC[C@]1(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)OCCc2ccccc21 ZINC000877539974 1014618461 /nfs/dbraw/zinc/61/84/61/1014618461.db2.gz RMWONJNXGWLWLJ-LADRWXRNSA-N 1 0 356.426 2.963 20 5 FFBDRO C[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[C@@](C)(O)c1ccccc1 ZINC000877610139 1014645871 /nfs/dbraw/zinc/64/58/71/1014645871.db2.gz MIYBITYOZZHXMT-MGPUTAFESA-N 1 0 370.453 2.844 20 5 FFBDRO C[C@@]1(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCOC2(CCC2)C1 ZINC000905493070 980457280 /nfs/dbraw/zinc/45/72/80/980457280.db2.gz QRLXMXMPMIOTMF-FUHWJXTLSA-N 1 0 364.442 2.664 20 5 FFBDRO COC(=O)C[C@@H]1C[N@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C[C@H]1C ZINC000905711286 980493785 /nfs/dbraw/zinc/49/37/85/980493785.db2.gz DGBZXPCZXDWCAB-ZIAGYGMSSA-N 1 0 358.398 2.547 20 5 FFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@](C)(O)c1ccccc1 ZINC000169143079 981658511 /nfs/dbraw/zinc/65/85/11/981658511.db2.gz ADWLLOUTXPJERB-AUUYWEPGSA-N 1 0 357.410 2.809 20 5 FFBDRO O=[N+]([O-])c1ccccc1-c1nnc(CN2CCC[C@H]([NH+]3CCCC3)C2)o1 ZINC000877970409 1014790350 /nfs/dbraw/zinc/79/03/50/1014790350.db2.gz NBEFLGXXEIMZKN-AWEZNQCLSA-N 1 0 357.414 2.705 20 5 FFBDRO CC1(C)CCC[N@@H+]1CCNC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001299259085 984049955 /nfs/dbraw/zinc/04/99/55/984049955.db2.gz PNCPEALSGMGABK-UHFFFAOYSA-N 1 0 357.414 2.589 20 5 FFBDRO C[NH+]1C[C@@]2(C)CN(C(=O)c3ccc(OC(F)F)c([N+](=O)[O-])c3)C[C@]2(C)C1 ZINC000913282210 984230860 /nfs/dbraw/zinc/23/08/60/984230860.db2.gz ZYYBTURIZAYNSC-IRXDYDNUSA-N 1 0 369.368 2.610 20 5 FFBDRO CC(C)(C)c1ccc(C[NH2+]C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1 ZINC000996429258 984353077 /nfs/dbraw/zinc/35/30/77/984353077.db2.gz NYCUIXRKUWOVRH-QZTJIDSGSA-N 1 0 359.470 2.730 20 5 FFBDRO C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000138831432 984442445 /nfs/dbraw/zinc/44/24/45/984442445.db2.gz NYJMIMRMVKAMEF-KGLIPLIRSA-N 1 0 367.450 2.559 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2ncn(CN3CC[NH+](C4CCCCC4)CC3)n2)c1 ZINC000165283914 984444235 /nfs/dbraw/zinc/44/42/35/984444235.db2.gz DBKQFFBQTQJJEP-UHFFFAOYSA-N 1 0 370.457 2.761 20 5 FFBDRO O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000764934093 984838364 /nfs/dbraw/zinc/83/83/64/984838364.db2.gz IXNUSRGQTSOASU-MRXNPFEDSA-N 1 0 358.442 2.916 20 5 FFBDRO Cc1ccc(C[N@@H+]2CC[C@H](N3CC(=O)Nc4ccccc43)C2)cc1[N+](=O)[O-] ZINC000761225550 984936241 /nfs/dbraw/zinc/93/62/41/984936241.db2.gz JBCIUPZJJSHFQW-INIZCTEOSA-N 1 0 366.421 2.936 20 5 FFBDRO CC(C)(C)OC(=O)NC[C@@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000170647132 985103822 /nfs/dbraw/zinc/10/38/22/985103822.db2.gz MBGQBJJRALNNRH-AWEZNQCLSA-N 1 0 365.430 2.820 20 5 FFBDRO Cc1c(C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000063586883 985954965 /nfs/dbraw/zinc/95/49/65/985954965.db2.gz AOXKGFCTAMBGJH-GFCCVEGCSA-N 1 0 364.402 2.662 20 5 FFBDRO C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000765849810 986742062 /nfs/dbraw/zinc/74/20/62/986742062.db2.gz RCWQGQXPQNUDDX-CXAGYDPISA-N 1 0 358.394 2.968 20 5 FFBDRO Cc1cc(F)cc(C(=O)NCCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1[N+](=O)[O-] ZINC000151753729 986844120 /nfs/dbraw/zinc/84/41/20/986844120.db2.gz QQENBAVBCRWJEO-ZIAGYGMSSA-N 1 0 367.421 2.662 20 5 FFBDRO O=C1CCc2cc([N+](=O)[O-])c(N3CC[NH+](C4CCCCC4)CC3)cc2N1 ZINC000152429007 987207572 /nfs/dbraw/zinc/20/75/72/987207572.db2.gz AHLHXBQRTKEWFC-UHFFFAOYSA-N 1 0 358.442 2.934 20 5 FFBDRO C[C@@H](Cc1nc(CCNc2ccccc2[N+](=O)[O-])no1)C1CC[NH2+]CC1 ZINC000843184713 987464768 /nfs/dbraw/zinc/46/47/68/987464768.db2.gz IGCLPXYAFJXOQI-ZDUSSCGKSA-N 1 0 359.430 2.811 20 5 FFBDRO C[N@@H+]1CCCC[C@@H]1CCOC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000915512411 988772274 /nfs/dbraw/zinc/77/22/74/988772274.db2.gz RROYPVFDIJPFPX-OAHLLOKOSA-N 1 0 358.398 2.812 20 5 FFBDRO CC1CC[NH+](CCNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CC1 ZINC000130411648 989087250 /nfs/dbraw/zinc/08/72/50/989087250.db2.gz NRRLYKMREFTZAI-UHFFFAOYSA-N 1 0 360.458 2.657 20 5 FFBDRO COc1cccc(C(=O)NC[C@H](C)[N@@H+]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000193980867 989124077 /nfs/dbraw/zinc/12/40/77/989124077.db2.gz HVZPYPCJSUWIFC-AWEZNQCLSA-N 1 0 369.421 2.780 20 5 FFBDRO CCO[C@@H]1C[C@H]([N@H+](C)Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C12CCC2 ZINC000763236645 989248518 /nfs/dbraw/zinc/24/85/18/989248518.db2.gz RMGLPYVMHMUEKB-JKSUJKDBSA-N 1 0 359.430 2.885 20 5 FFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(C[NH+](Cc3cc4ccccc4o3)C2)CC1 ZINC001035704550 990528949 /nfs/dbraw/zinc/52/89/49/990528949.db2.gz PNPTXOMIGBTGGF-IAGOWNOFSA-N 1 0 369.421 2.522 20 5 FFBDRO CC(C)C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)[NH+](C)C ZINC000074136782 990815248 /nfs/dbraw/zinc/81/52/48/990815248.db2.gz MYZWRXQDPRMKEI-MRXNPFEDSA-N 1 0 362.474 2.901 20 5 FFBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1F)[N@@H+]1CCc2ccccc2C1 ZINC000921161644 990991754 /nfs/dbraw/zinc/99/17/54/990991754.db2.gz UAINPAQGYHBMNZ-CYBMUJFWSA-N 1 0 357.385 2.911 20 5 FFBDRO Cn1cc(C2C[C@H]3CC[C@@H](C2)[N@H+]3C[C@@H](O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000880518588 1015862241 /nfs/dbraw/zinc/86/22/41/1015862241.db2.gz NVUSIRKTCAZHMO-KTWXZFIHSA-N 1 0 356.426 2.772 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCCN3c4ccccc4C[C@H]3C2)cc1 ZINC000810052462 994678786 /nfs/dbraw/zinc/67/87/86/994678786.db2.gz ZJHXJMPPGANHTI-ICSRJNTNSA-N 1 0 353.422 2.765 20 5 FFBDRO O=C(NC1CC1)OC[C@@H]1CCCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000810040481 994687341 /nfs/dbraw/zinc/68/73/41/994687341.db2.gz RTFNZHYNVNDJAP-INIZCTEOSA-N 1 0 363.414 2.717 20 5 FFBDRO Cc1c(C(=O)NC2CCC(C)([NH+](C)C)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001132476239 994941694 /nfs/dbraw/zinc/94/16/94/994941694.db2.gz JVPLQKQHIUYYGD-UHFFFAOYSA-N 1 0 364.402 2.804 20 5 FFBDRO COC(=O)c1ncc([N+](=O)[O-])cc1N(CC[NH3+])C12CC3CC(CC(C3)C1)C2 ZINC001170631740 995100891 /nfs/dbraw/zinc/10/08/91/995100891.db2.gz WGTOZQZZRUBAFG-UHFFFAOYSA-N 1 0 374.441 2.510 20 5 FFBDRO CCCC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001133396176 995498708 /nfs/dbraw/zinc/49/87/08/995498708.db2.gz UREQJQHLNYABAU-HZPDHXFCSA-N 1 0 353.850 2.724 20 5 FFBDRO Cn1nc2c(c1C[NH2+]C1CCN(c3ccc([N+](=O)[O-])cc3)CC1)CCCC2 ZINC000812736154 995519680 /nfs/dbraw/zinc/51/96/80/995519680.db2.gz DXWUFKNSXRFLMO-UHFFFAOYSA-N 1 0 369.469 2.966 20 5 FFBDRO CC[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H](C)[C@@H](O)c1ccccc1 ZINC000812851776 995553323 /nfs/dbraw/zinc/55/33/23/995553323.db2.gz ZAOFRHXBPWJBEL-OXFYSEKESA-N 1 0 374.437 2.779 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ncn(C[N@@H+]3CCC[C@@H]([C@@H]4CCOC4)C3)n2)cc1 ZINC000747832281 995595689 /nfs/dbraw/zinc/59/56/89/995595689.db2.gz PAFWYKOXLZZKJV-HZPDHXFCSA-N 1 0 357.414 2.559 20 5 FFBDRO O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000824616430 997015025 /nfs/dbraw/zinc/01/50/25/997015025.db2.gz VWGMXBDSGSKORX-MOPGFXCFSA-N 1 0 369.421 2.582 20 5 FFBDRO CC(C)[C@H](CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)[NH+]1CCC(C)CC1 ZINC000824982633 997170382 /nfs/dbraw/zinc/17/03/82/997170382.db2.gz JJLCZPJMWBVTLS-ROUUACIJSA-N 1 0 363.458 2.501 20 5 FFBDRO C[N@@H+]1CCN(Cn2ncc3cc([N+](=O)[O-])ccc32)[C@H](Cc2ccccc2)C1 ZINC000844739939 998109184 /nfs/dbraw/zinc/10/91/84/998109184.db2.gz FFHMUPMILNQIMZ-LJQANCHMSA-N 1 0 365.437 2.761 20 5 FFBDRO CCCC[NH+]1CCC(NC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)CC1 ZINC001144434322 998540190 /nfs/dbraw/zinc/54/01/90/998540190.db2.gz ZVTXXECUXFEPFY-UHFFFAOYSA-N 1 0 354.838 2.825 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@@H]1COC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000845738312 998629356 /nfs/dbraw/zinc/62/93/56/998629356.db2.gz DYAFHDHSTCKROA-CQSZACIVSA-N 1 0 358.398 2.810 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000803858043 1016247107 /nfs/dbraw/zinc/24/71/07/1016247107.db2.gz BVCSCVSDDLJCMT-AWEZNQCLSA-N 1 0 363.414 2.649 20 5 FFBDRO CN(C)c1ccnc(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3F)n2)c1 ZINC001152320143 1032144732 /nfs/dbraw/zinc/14/47/32/1032144732.db2.gz QOEAFCAPGJDHSC-UHFFFAOYSA-N 1 0 370.344 2.633 20 5 FFBDRO CC[C@H]1CCC[N@H+](CN2C(=O)N[C@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)CC1 ZINC000738252815 999623334 /nfs/dbraw/zinc/62/33/34/999623334.db2.gz CANVAJFKXRALLR-IFXJQAMLSA-N 1 0 374.441 2.831 20 5 FFBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000827975041 999738978 /nfs/dbraw/zinc/73/89/78/999738978.db2.gz LXWSFVCCJLBFJW-CYBMUJFWSA-N 1 0 364.402 2.724 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2ncn(CN3CC[C@@H](C[NH+]4CCCCC4)C3)n2)c1 ZINC000742172228 999761263 /nfs/dbraw/zinc/76/12/63/999761263.db2.gz SFLMIDHPZKKIHD-INIZCTEOSA-N 1 0 370.457 2.619 20 5 FFBDRO C[C@@H]1CCC[C@H](C)C[N@H+]1CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000742154157 999762502 /nfs/dbraw/zinc/76/25/02/999762502.db2.gz DPVQCVYVAPIDBY-UONOGXRCSA-N 1 0 360.414 2.831 20 5 FFBDRO CCN(Cc1ccc(C)cc1)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000746028177 999941925 /nfs/dbraw/zinc/94/19/25/999941925.db2.gz GDTSPIDNMROGTI-UHFFFAOYSA-N 1 0 353.378 2.979 20 5 FFBDRO CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CC[NH2+][C@@H]3CC[C@H](C[N+](=O)[O-])C3)[C@@H]2C1 ZINC001168956499 1000012658 /nfs/dbraw/zinc/01/26/58/1000012658.db2.gz BFJGQNBLIVECTM-XFIYOXNOSA-N 1 0 353.463 2.524 20 5 FFBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]C2(c3cccc(Br)c3)COC2)C1 ZINC001168970682 1000013440 /nfs/dbraw/zinc/01/34/40/1000013440.db2.gz IIHPWJRHNXHBBS-FZMZJTMJSA-N 1 0 355.232 2.710 20 5 FFBDRO O=C(N[C@H]1CC[C@H]([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1)c1cccc(F)c1 ZINC001168998009 1000014164 /nfs/dbraw/zinc/01/41/64/1000014164.db2.gz HDAYCZCRYUIYSD-PILAGYSTSA-N 1 0 363.433 2.902 20 5 FFBDRO COc1ccc([N+](=O)[O-])nc1-n1c(CCC[NH3+])nc2ccc(Cl)cc21 ZINC001168996234 1000014288 /nfs/dbraw/zinc/01/42/88/1000014288.db2.gz QSCQLRKKDFXHGJ-UHFFFAOYSA-N 1 0 361.789 2.882 20 5 FFBDRO COc1ccc(CCN2CCC([NH2+][C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)cc1 ZINC001168987858 1000015888 /nfs/dbraw/zinc/01/58/88/1000015888.db2.gz KXMWPFYMDGZPIS-HKUYNNGSSA-N 1 0 361.486 2.737 20 5 FFBDRO COC(=O)c1ccc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)c(Br)c1 ZINC001168987028 1000015917 /nfs/dbraw/zinc/01/59/17/1000015917.db2.gz HEKNEBUIKHWXNF-MFKMUULPSA-N 1 0 371.231 2.771 20 5 FFBDRO O=C(c1cccc(Cl)c1)N1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169036998 1000016777 /nfs/dbraw/zinc/01/67/77/1000016777.db2.gz HVKXPFIYFYCTLO-CZUORRHYSA-N 1 0 351.834 2.543 20 5 FFBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCN(c3ncc(Cl)cc3Cl)CC2)C1 ZINC001169038949 1000017033 /nfs/dbraw/zinc/01/70/33/1000017033.db2.gz LTCMFMJGDXBQPV-YPMHNXCESA-N 1 0 359.257 2.956 20 5 FFBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CC[C@H]3O[C@H](COc4cccnc4)CC[C@H]32)C1 ZINC001169019193 1000017492 /nfs/dbraw/zinc/01/74/92/1000017492.db2.gz FJIHNJWRMDVLAJ-UWAKZDDMSA-N 1 0 361.442 2.528 20 5 FFBDRO O=C(c1ccco1)N1CCCC12CC[NH+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169022767 1000017847 /nfs/dbraw/zinc/01/78/47/1000017847.db2.gz SNLCJOBKDISHAC-HOTGVXAUSA-N 1 0 361.442 2.796 20 5 FFBDRO O=C1N(CC2CCCC2)CCC12CC[NH+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169024524 1000017903 /nfs/dbraw/zinc/01/79/03/1000017903.db2.gz WSGMMWNGPMAYRA-QZTJIDSGSA-N 1 0 363.502 2.937 20 5 FFBDRO CC(=O)N1CC[C@]2(c3ccccc3)CC[N@@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@H]12 ZINC001169024887 1000018116 /nfs/dbraw/zinc/01/81/16/1000018116.db2.gz RZHPPLDTBKZRMH-PBASOCQRSA-N 1 0 371.481 2.696 20 5 FFBDRO Cc1ccc(O[C@@H]2C[C@@H]3CN([C@@H]4CC[C@H](C[N+](=O)[O-])C4)CC[N@@H+]3C2)cc1 ZINC001169026356 1000018261 /nfs/dbraw/zinc/01/82/61/1000018261.db2.gz LHCGIBCMNLZYTE-JRBPQWBISA-N 1 0 359.470 2.578 20 5 FFBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2CCCn3cnc(COCc4ccco4)c3C2)C1 ZINC001169026239 1000018302 /nfs/dbraw/zinc/01/83/02/1000018302.db2.gz WJYYQCINDARRHS-HOTGVXAUSA-N 1 0 374.441 2.844 20 5 FFBDRO CS(=O)(=O)c1ccc(C2CC[NH+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)cc1 ZINC001169057962 1000019250 /nfs/dbraw/zinc/01/92/50/1000019250.db2.gz ZMFPSAPFMPMNCM-YOEHRIQHSA-N 1 0 366.483 2.715 20 5 FFBDRO CC1(C)C[C@H](Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C[C@](C)(C[NH3+])C1 ZINC001169145256 1000027336 /nfs/dbraw/zinc/02/73/36/1000027336.db2.gz DRKXVRFRYUMBAG-SJCJKPOMSA-N 1 0 369.487 2.954 20 5 FFBDRO O=[N+]([O-])c1ccc(NCc2ncn3c2C[NH2+]CCC3)c(C(F)(F)F)c1 ZINC001169242485 1000034204 /nfs/dbraw/zinc/03/42/04/1000034204.db2.gz MMISAYWBILDXIT-UHFFFAOYSA-N 1 0 355.320 2.916 20 5 FFBDRO [NH3+]Cc1ccc2c(n1)N(c1cc([N+](=O)[O-])cc(Br)n1)CCC2 ZINC001169592441 1000060199 /nfs/dbraw/zinc/06/01/99/1000060199.db2.gz SLULVLJCTJLNHE-UHFFFAOYSA-N 1 0 364.203 2.690 20 5 FFBDRO [NH3+]Cc1ccc2c(n1)N(c1ncc([N+](=O)[O-])cc1C(F)(F)F)CCC2 ZINC001169592083 1000060252 /nfs/dbraw/zinc/06/02/52/1000060252.db2.gz GIFWXORVWSIHKC-UHFFFAOYSA-N 1 0 353.304 2.947 20 5 FFBDRO O=c1[nH]cc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c2ccccc12 ZINC001169932917 1000087035 /nfs/dbraw/zinc/08/70/35/1000087035.db2.gz DLTMFTLYCHGZOO-UHFFFAOYSA-N 1 0 353.382 2.882 20 5 FFBDRO CC(C)C[N@H+](C)CCCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000846291796 1000256779 /nfs/dbraw/zinc/25/67/79/1000256779.db2.gz SHCBNHLULBJINJ-UHFFFAOYSA-N 1 0 362.474 2.903 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ccc(CN3CC[NH+](CCCCO)CC3)o2)cc1 ZINC000769395963 1000517830 /nfs/dbraw/zinc/51/78/30/1000517830.db2.gz RZBHGGISPNAUKZ-UHFFFAOYSA-N 1 0 359.426 2.745 20 5 FFBDRO O=C([C@H]1CCC[N@H+](Cc2cccnc2)C1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001116135890 1032147682 /nfs/dbraw/zinc/14/76/82/1032147682.db2.gz OBDZMMVZGPMGCD-KRWDZBQOSA-N 1 0 366.421 2.744 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])c(-n2c(CC[NH3+])cc3ccccc32)cc1OC ZINC001171304854 1000897848 /nfs/dbraw/zinc/89/78/48/1000897848.db2.gz OTOAFEAEXOZYLG-UHFFFAOYSA-N 1 0 369.377 2.835 20 5 FFBDRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1ccc(N)c([N+](=O)[O-])c1)[NH+](C)C ZINC000785858968 1001497864 /nfs/dbraw/zinc/49/78/64/1001497864.db2.gz VIBAJXTUGATKQG-FZKQIMNGSA-N 1 0 356.426 2.907 20 5 FFBDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000746565092 1001502258 /nfs/dbraw/zinc/50/22/58/1001502258.db2.gz BKAPRMBPQZHARP-RUJXFNLJSA-N 1 0 361.442 2.567 20 5 FFBDRO O=C(CC[N@@H+]1CCc2ccccc2C1)OCCOc1ccccc1[N+](=O)[O-] ZINC000786820296 1001633031 /nfs/dbraw/zinc/63/30/31/1001633031.db2.gz DPEMDLWXZKQSSV-UHFFFAOYSA-N 1 0 370.405 2.965 20 5 FFBDRO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000746665836 1001680835 /nfs/dbraw/zinc/68/08/35/1001680835.db2.gz GTXKJMCWYHXOAB-ZFWWWQNUSA-N 1 0 367.450 2.559 20 5 FFBDRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1N)[NH+](C)C ZINC000787319558 1001684767 /nfs/dbraw/zinc/68/47/67/1001684767.db2.gz VIUZIXVEQQXMJY-ACJLOTCBSA-N 1 0 356.426 2.907 20 5 FFBDRO C[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000774356197 1001890416 /nfs/dbraw/zinc/89/04/16/1001890416.db2.gz OBGCHCKTJPWMIA-MGPQQGTHSA-N 1 0 367.450 2.778 20 5 FFBDRO C[NH+](C)[C@@H]1CCOc2c(NC(=O)c3ccc(N)c([N+](=O)[O-])c3)cccc21 ZINC000790239147 1002310844 /nfs/dbraw/zinc/31/08/44/1002310844.db2.gz DZCHXGHZTKDUAH-OAHLLOKOSA-N 1 0 356.382 2.815 20 5 FFBDRO COCC[N@H+](Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1CC[C@@H](C)C1 ZINC000790476740 1002387682 /nfs/dbraw/zinc/38/76/82/1002387682.db2.gz CWGYHTKALOGZIR-PBHICJAKSA-N 1 0 359.430 2.948 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3CCOCC34CCCC4)CC2)cn1 ZINC001184364490 1002574743 /nfs/dbraw/zinc/57/47/43/1002574743.db2.gz ULEQNNVOPQFIKJ-KRWDZBQOSA-N 1 0 360.458 2.898 20 5 FFBDRO CN(C)c1cc(F)c(C(=O)N2CC[NH+](C3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000791205449 1002618540 /nfs/dbraw/zinc/61/85/40/1002618540.db2.gz ONDOYHVXPVUNBR-UHFFFAOYSA-N 1 0 364.421 2.500 20 5 FFBDRO CN(C)c1cc(F)c(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000791295987 1002637411 /nfs/dbraw/zinc/63/74/11/1002637411.db2.gz BAOLKMVBIMYERE-SFHVURJKSA-N 1 0 374.416 2.833 20 5 FFBDRO CC(C)CC[NH+]1CCC(CNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 ZINC000791379316 1002671101 /nfs/dbraw/zinc/67/11/01/1002671101.db2.gz HVQQQSUOKGVSIV-UHFFFAOYSA-N 1 0 366.437 2.804 20 5 FFBDRO COc1ccc(C[C@H](C)[NH2+][C@@H](C)c2nnc3ccccn32)c([N+](=O)[O-])c1 ZINC001170298384 1003091418 /nfs/dbraw/zinc/09/14/18/1003091418.db2.gz KRURJGLFJDUQQT-STQMWFEESA-N 1 0 355.398 2.928 20 5 FFBDRO COc1ccc(C[C@@H](C)[NH2+]C[C@H]2COc3ccccc3O2)c([N+](=O)[O-])c1 ZINC001170297556 1003091523 /nfs/dbraw/zinc/09/15/23/1003091523.db2.gz PHNPLAZXHAJNED-CJNGLKHVSA-N 1 0 358.394 2.964 20 5 FFBDRO COc1cccc(C[C@H](CO)[NH2+][C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])c1 ZINC001170304285 1003092843 /nfs/dbraw/zinc/09/28/43/1003092843.db2.gz AYBXRZLHBMNCEY-RHSMWYFYSA-N 1 0 374.437 2.736 20 5 FFBDRO COc1ccc(C[C@@H](C)N2c3ccccc3OC[C@@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC001170313964 1003104625 /nfs/dbraw/zinc/10/46/25/1003104625.db2.gz SDHPCSJBZXZGMK-HIFRSBDPSA-N 1 0 357.410 2.761 20 5 FFBDRO COc1ccc(C[C@@H](C)[NH2+]C2CCC3(CC2)OCCO3)c([N+](=O)[O-])c1 ZINC001170313021 1003104749 /nfs/dbraw/zinc/10/47/49/1003104749.db2.gz IWTVBGDWNNVYSP-CYBMUJFWSA-N 1 0 350.415 2.810 20 5 FFBDRO COc1ccc(C[C@H](C)[NH2+]Cc2ccc3c(c2)CC(=O)N3)c([N+](=O)[O-])c1 ZINC001170325784 1003113791 /nfs/dbraw/zinc/11/37/91/1003113791.db2.gz ACFZSWACVFLOAZ-LBPRGKRZSA-N 1 0 355.394 2.819 20 5 FFBDRO COc1ccc(C[C@@H](C)[N@@H+]2CC[C@H](Oc3nccnc3C)C2)c([N+](=O)[O-])c1 ZINC001170354835 1003122179 /nfs/dbraw/zinc/12/21/79/1003122179.db2.gz QBKAVSZTJNUSBE-DYVFJYSZSA-N 1 0 372.425 2.786 20 5 FFBDRO CCc1cc(NCC[N@H+]2CC=CCC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001186326046 1003268685 /nfs/dbraw/zinc/26/86/85/1003268685.db2.gz XKMYESHOBPDEPO-UHFFFAOYSA-N 1 0 353.426 2.710 20 5 FFBDRO O=C(NCC1CC[NH+](Cc2ccc(C3CCC3)cc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001001400566 1016781910 /nfs/dbraw/zinc/78/19/10/1016781910.db2.gz UYBWDKPVYVHQDN-WOJBJXKFSA-N 1 0 371.481 2.948 20 5 FFBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000804562129 1003726712 /nfs/dbraw/zinc/72/67/12/1003726712.db2.gz FNLQTKPHNOHEOZ-KRWDZBQOSA-N 1 0 361.442 2.879 20 5 FFBDRO O=C(CC[NH+]1CCN(c2cccc(F)c2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC001197041425 1004044414 /nfs/dbraw/zinc/04/44/14/1004044414.db2.gz MWEVXIAXBRXIFR-UHFFFAOYSA-N 1 0 372.400 2.885 20 5 FFBDRO O=[N+]([O-])c1ccccc1-c1nnc(C[NH2+][C@@H]([C@H](CO)C2CC2)C2CC2)o1 ZINC001170488941 1004141701 /nfs/dbraw/zinc/14/17/01/1004141701.db2.gz CMBVXPRJKDSYOF-RHSMWYFYSA-N 1 0 358.398 2.532 20 5 FFBDRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000867233451 1004182630 /nfs/dbraw/zinc/18/26/30/1004182630.db2.gz RJBDGLLCUIIWEU-CQSZACIVSA-N 1 0 359.401 2.913 20 5 FFBDRO NC(=O)C[C@H]([NH2+]Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C1CCCCC1 ZINC001193248727 1004419591 /nfs/dbraw/zinc/41/95/91/1004419591.db2.gz HRUVTLOROWKRON-AWEZNQCLSA-N 1 0 373.413 2.559 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCc2cc(O)ccc2C1 ZINC001198827543 1004738119 /nfs/dbraw/zinc/73/81/19/1004738119.db2.gz DIMAFLBOAGOAFR-UHFFFAOYSA-N 1 0 355.394 2.996 20 5 FFBDRO Cc1cc(C(=O)NC[C@H](c2ccco2)N2CCCC2)c(N)c([N+](=O)[O-])c1 ZINC000104821985 1004816010 /nfs/dbraw/zinc/81/60/10/1004816010.db2.gz RRGMWIMJHXHMPA-OAHLLOKOSA-N 1 0 358.398 2.645 20 5 FFBDRO C[C@@H]1CC[C@H](C(N)=O)[C@@H](C)[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Br ZINC001195595665 1004995232 /nfs/dbraw/zinc/99/52/32/1004995232.db2.gz GFIJWSIQWBJRIE-BREBYQMCSA-N 1 0 370.247 2.832 20 5 FFBDRO C[N@@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C1 ZINC000108335502 1005654399 /nfs/dbraw/zinc/65/43/99/1005654399.db2.gz BGWBEWHZTFCZBH-HNNXBMFYSA-N 1 0 360.458 2.657 20 5 FFBDRO CC(C)(C)N1C[C@H](C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1=O ZINC000850555928 1005821992 /nfs/dbraw/zinc/82/19/92/1005821992.db2.gz JZIXSVUZFYRHHJ-HNNXBMFYSA-N 1 0 374.485 2.800 20 5 FFBDRO Cc1c(C(=O)N2CCC[C@@H](C)[C@H]2CCC[NH3+])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000851647053 1005903117 /nfs/dbraw/zinc/90/31/17/1005903117.db2.gz ZSUQBWIDRAFXGE-IAQYHMDHSA-N 1 0 364.402 2.791 20 5 FFBDRO O=[N+]([O-])c1cnc2ccccc2c1NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000813584495 1005979646 /nfs/dbraw/zinc/97/96/46/1005979646.db2.gz GWJQIVLPYFYGEW-HNNXBMFYSA-N 1 0 356.426 2.620 20 5 FFBDRO CCc1nn(C)c(Nc2ccc(N3CC[N@@H+]4CCC[C@@H]4C3)cc2)c1[N+](=O)[O-] ZINC001187454754 1006089612 /nfs/dbraw/zinc/08/96/12/1006089612.db2.gz PPLOURHOYUFBNQ-MRXNPFEDSA-N 1 0 370.457 2.919 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H](c2ccncc2)C2(CO)CCC2)c1 ZINC000853134834 1006309719 /nfs/dbraw/zinc/30/97/19/1006309719.db2.gz YEINRCXDTBJRON-QZTJIDSGSA-N 1 0 357.410 2.517 20 5 FFBDRO O=[N+]([O-])c1cn(CN2CCC[C@]3(CCCOC3)C2)nc1-c1ccccn1 ZINC000853501738 1006417184 /nfs/dbraw/zinc/41/71/84/1006417184.db2.gz XQLONOMGJWTHFB-SFHVURJKSA-N 1 0 357.414 2.703 20 5 FFBDRO CN(C)c1cc(F)c(C(=O)N2CCC(C)([NH+]3CCC3)CC2)cc1[N+](=O)[O-] ZINC000882509360 1006417757 /nfs/dbraw/zinc/41/77/57/1006417757.db2.gz OHHNFXPTGJBMKH-UHFFFAOYSA-N 1 0 364.421 2.500 20 5 FFBDRO CC(C)NC(=O)[C@H]1CCC[N@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000853603382 1006471877 /nfs/dbraw/zinc/47/18/77/1006471877.db2.gz PORMMSASEINZPE-INIZCTEOSA-N 1 0 371.441 2.652 20 5 FFBDRO O=C1CN(C[N@H+](CCC2CC2)CC2CC2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000853607692 1006472090 /nfs/dbraw/zinc/47/20/90/1006472090.db2.gz SRSJPDSAUMYSKC-UHFFFAOYSA-N 1 0 372.425 2.833 20 5 FFBDRO O=[N+]([O-])c1cc2c(nc1N1CCC[C@@H]([NH2+]C3CCOCC3)C1)CCCC2 ZINC000882727374 1006491454 /nfs/dbraw/zinc/49/14/54/1006491454.db2.gz UQFQVJLBOGQPDL-MRXNPFEDSA-N 1 0 360.458 2.606 20 5 FFBDRO C[C@H](c1ccccc1)[NH+]1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000882810478 1006513209 /nfs/dbraw/zinc/51/32/09/1006513209.db2.gz OIFIHIDAXTUVOX-CQSZACIVSA-N 1 0 354.410 2.577 20 5 FFBDRO C[C@@H]1CN(c2ncnc3ccc([N+](=O)[O-])cc32)CCN1c1cc[nH+]cc1 ZINC000882821848 1006520257 /nfs/dbraw/zinc/52/02/57/1006520257.db2.gz MFFCJCGPWVXOOB-CYBMUJFWSA-N 1 0 350.382 2.648 20 5 FFBDRO C[C@H](Cn1ncc2ccccc2c1=O)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815598996 1006704077 /nfs/dbraw/zinc/70/40/77/1006704077.db2.gz IRDNOOWGAHVTPJ-CHWSQXEVSA-N 1 0 367.409 2.626 20 5 FFBDRO C[C@H](NC(=O)N1CCN(c2cc[nH+]cc2)[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000883668805 1006939169 /nfs/dbraw/zinc/93/91/69/1006939169.db2.gz LYQLKEMJFHAQEC-CABCVRRESA-N 1 0 369.425 2.971 20 5 FFBDRO Cc1c(C(=O)NCC[NH+]2CCCCCC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000132549538 1006947204 /nfs/dbraw/zinc/94/72/04/1006947204.db2.gz SXEWASCHHITALE-UHFFFAOYSA-N 1 0 364.402 2.726 20 5 FFBDRO O=[N+]([O-])c1c(N2CCC(CO)([NH2+]CC3CC3)CC2)cccc1C(F)(F)F ZINC000884526447 1007471650 /nfs/dbraw/zinc/47/16/50/1007471650.db2.gz VBZHEYDJSNVPMN-UHFFFAOYSA-N 1 0 373.375 2.945 20 5 FFBDRO O=[N+]([O-])c1cnc(N2CCC[C@@H]([NH+]3CCOCC3)CC2)c2ccccc21 ZINC000884548131 1007475783 /nfs/dbraw/zinc/47/57/83/1007475783.db2.gz DIRBDGFBTUWQKB-OAHLLOKOSA-N 1 0 356.426 2.834 20 5 FFBDRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000884855869 1007578750 /nfs/dbraw/zinc/57/87/50/1007578750.db2.gz SQOFTWYQHIYVTL-CYBMUJFWSA-N 1 0 350.382 2.648 20 5 FFBDRO COc1ccccc1N1CCC([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000818985962 1008000129 /nfs/dbraw/zinc/00/01/29/1008000129.db2.gz BIQQNXRNDSNUHT-IBGZPJMESA-N 1 0 371.437 2.895 20 5 FFBDRO CN(C)c1ccc(NC(=O)CC[NH2+]CCOc2ccc([N+](=O)[O-])cc2)cc1 ZINC000819045434 1008018688 /nfs/dbraw/zinc/01/86/88/1008018688.db2.gz BYOURNRZMCQMQU-UHFFFAOYSA-N 1 0 372.425 2.658 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCOc2cccc(C(F)(F)F)n2)c1 ZINC000819190140 1008060967 /nfs/dbraw/zinc/06/09/67/1008060967.db2.gz HEIWIBAJFKEQLT-CYBMUJFWSA-N 1 0 371.315 2.711 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCOc2cccc(C(F)(F)F)n2)cc1 ZINC000819189360 1008061675 /nfs/dbraw/zinc/06/16/75/1008061675.db2.gz AZDGGCMEDZXCDN-ZDUSSCGKSA-N 1 0 371.315 2.711 20 5 FFBDRO COc1cccc2[nH]cc(CC[NH2+]C[C@H](O)c3cccc([N+](=O)[O-])c3)c21 ZINC000819213276 1008073947 /nfs/dbraw/zinc/07/39/47/1008073947.db2.gz FWMYSECMFQVTPP-KRWDZBQOSA-N 1 0 355.394 2.950 20 5 FFBDRO Cc1ccc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)c(N2CCCC2)n1 ZINC000819221304 1008076893 /nfs/dbraw/zinc/07/68/93/1008076893.db2.gz XGJNDWRKMUVGDS-SFHVURJKSA-N 1 0 356.426 2.722 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@H](O)CNc2ccc([NH+]3CCCCCC3)cc2)c1 ZINC000819394706 1008115023 /nfs/dbraw/zinc/11/50/23/1008115023.db2.gz CYYPPWSVIZMTMW-GOSISDBHSA-N 1 0 359.430 2.645 20 5 FFBDRO CCN(CCC[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1C(=O)NC1CC1 ZINC000819931450 1008242435 /nfs/dbraw/zinc/24/24/35/1008242435.db2.gz OMCOPZMNFYMDME-UHFFFAOYSA-N 1 0 360.458 2.799 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000820673874 1008359295 /nfs/dbraw/zinc/35/92/95/1008359295.db2.gz MOSFXFRDPPSMBT-HUUCEWRRSA-N 1 0 363.458 2.831 20 5 FFBDRO O=C1Nc2ccccc2C[C@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000858527689 1008375456 /nfs/dbraw/zinc/37/54/56/1008375456.db2.gz JTHYARQITALNEZ-LJQANCHMSA-N 1 0 366.421 2.717 20 5 FFBDRO O=C(COC(=O)C1C[NH+](C2CCCCC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000859719559 1008631049 /nfs/dbraw/zinc/63/10/49/1008631049.db2.gz MGOFWLIRMPPJBZ-UHFFFAOYSA-N 1 0 364.373 2.724 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2ccc(CNC[C@@H]3C[N@@H+]4CCC[C@H]4CO3)o2)c1 ZINC001177749463 1008731491 /nfs/dbraw/zinc/73/14/91/1008731491.db2.gz VWRCNUQKZFQYOQ-FUHWJXTLSA-N 1 0 357.410 2.808 20 5 FFBDRO COc1c(O)ccc(C[NH2+][C@H]2CC[C@@H](C(=O)OC(C)(C)C)C2)c1[N+](=O)[O-] ZINC001206559269 1032343685 /nfs/dbraw/zinc/34/36/85/1032343685.db2.gz CMJBUCFLEFRGED-YPMHNXCESA-N 1 0 366.414 2.909 20 5 FFBDRO Cc1nc([N+](=O)[O-])c(-c2noc(C(C)(C)[C@@H]([NH3+])c3ccccc3)n2)n1C ZINC000823093602 1008896248 /nfs/dbraw/zinc/89/62/48/1008896248.db2.gz FPTHQOSJDNVIIX-ZDUSSCGKSA-N 1 0 356.386 2.664 20 5 FFBDRO CN(C[C@H](O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000823167591 1008954067 /nfs/dbraw/zinc/95/40/67/1008954067.db2.gz JSZJBGYZAWCOFL-CYBMUJFWSA-N 1 0 367.446 2.647 20 5 FFBDRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000860915433 1009198196 /nfs/dbraw/zinc/19/81/96/1009198196.db2.gz FLQYMCIGRIGOKF-OAHLLOKOSA-N 1 0 370.453 2.504 20 5 FFBDRO Nc1ccc(NC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000823950341 1009275757 /nfs/dbraw/zinc/27/57/57/1009275757.db2.gz IKRFZLQFFBCXID-HNNXBMFYSA-N 1 0 369.425 2.821 20 5 FFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)OC[C@]1(C)C[C@H](OC)C[N@@H+]1C ZINC000861348297 1009365309 /nfs/dbraw/zinc/36/53/09/1009365309.db2.gz NZBJXQKSXAWCAH-AYBZRNKSSA-N 1 0 364.442 2.816 20 5 FFBDRO C[NH+](C)CCC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)CCO1 ZINC000862235424 1009757604 /nfs/dbraw/zinc/75/76/04/1009757604.db2.gz AEJBZXCNQSAUHS-QGZVFWFLSA-N 1 0 371.437 2.931 20 5 FFBDRO C/C=C\C[C@@H]1CCC[N@H+](CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000863340370 1010186383 /nfs/dbraw/zinc/18/63/83/1010186383.db2.gz KFZQAXRZBWIYJQ-MPNWYJEXSA-N 1 0 372.425 2.999 20 5 FFBDRO Cn1cc(CC[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c2cccnc21 ZINC000865811907 1010867516 /nfs/dbraw/zinc/86/75/16/1010867516.db2.gz HVFSYQALQQEEJU-UHFFFAOYSA-N 1 0 368.393 2.585 20 5 FFBDRO COC(=O)C1(Nc2cccnc2[N+](=O)[O-])CC[NH+](Cc2ccccc2)CC1 ZINC001171507288 1011361250 /nfs/dbraw/zinc/36/12/50/1011361250.db2.gz RDBNGZLMDHFRMT-UHFFFAOYSA-N 1 0 370.409 2.610 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(C[NH2+][C@H](CO)C2CCC2)o1 ZINC001171911414 1011531881 /nfs/dbraw/zinc/53/18/81/1011531881.db2.gz MENQQPYFXTUQLC-GFCCVEGCSA-N 1 0 352.778 2.549 20 5 FFBDRO COC(=O)c1cncc(C[NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)c1 ZINC001172904266 1012077431 /nfs/dbraw/zinc/07/74/31/1012077431.db2.gz VYTIUSPFJLEMJI-QGZVFWFLSA-N 1 0 355.394 2.814 20 5 FFBDRO O=C1OCCN1C1CC[NH+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172919870 1012101110 /nfs/dbraw/zinc/10/11/10/1012101110.db2.gz HTKWDUYEMFHWQF-INIZCTEOSA-N 1 0 359.426 2.759 20 5 FFBDRO CN(C)C1=NOC2(C1)CC[NH+]([C@@H]1CCc3ccc([N+](=O)[O-])cc3CC1)CC2 ZINC001172910296 1012122354 /nfs/dbraw/zinc/12/23/54/1012122354.db2.gz XRCBSUORGMCKCD-QGZVFWFLSA-N 1 0 372.469 2.972 20 5 FFBDRO COCCCCN1CC[NH+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172913274 1012125763 /nfs/dbraw/zinc/12/57/63/1012125763.db2.gz QMQOCZQGAZNVPH-IBGZPJMESA-N 1 0 361.486 2.886 20 5 FFBDRO CC1=NC2(CC[NH+]([C@@H]3CCc4ccc([N+](=O)[O-])cc4CC3)CC2)C(=O)N1C ZINC001172911694 1012126119 /nfs/dbraw/zinc/12/61/19/1012126119.db2.gz DWPJEDLSTFKZLY-QGZVFWFLSA-N 1 0 370.453 2.567 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H](N(c1cnccn1)C1CC[NH2+]CC1)CC2 ZINC001172912733 1012126247 /nfs/dbraw/zinc/12/62/47/1012126247.db2.gz LWXUUBVDOJJLHP-QGZVFWFLSA-N 1 0 367.453 2.891 20 5 FFBDRO C[C@H]([NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1)c1cnn(C)c1 ZINC001173006927 1012176598 /nfs/dbraw/zinc/17/65/98/1012176598.db2.gz DBUHQMJSTLTJRL-NSHDSACASA-N 1 0 365.384 2.926 20 5 FFBDRO Cc1nccc(C[NH2+]C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)n1 ZINC001173006978 1012177289 /nfs/dbraw/zinc/17/72/89/1012177289.db2.gz DWENFVHWHWNLJK-UHFFFAOYSA-N 1 0 363.368 2.730 20 5 FFBDRO CCN1CCC([NH2+]C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)CC1 ZINC001173011800 1012182169 /nfs/dbraw/zinc/18/21/69/1012182169.db2.gz KDOOHXLDAJSUMM-UHFFFAOYSA-N 1 0 368.428 2.916 20 5 FFBDRO COC[C@@H]1CCC[N@@H+]1C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173010692 1012182229 /nfs/dbraw/zinc/18/22/29/1012182229.db2.gz XUGBYRPAIWGVDV-ZDUSSCGKSA-N 1 0 355.385 2.953 20 5 FFBDRO CO[C@@H](C)C1C[NH+](C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)C1 ZINC001173020023 1012192099 /nfs/dbraw/zinc/19/20/99/1012192099.db2.gz OVNCQHYQIQVXTK-NSHDSACASA-N 1 0 355.385 2.809 20 5 FFBDRO C[NH+]1CCC(CNC(=O)Cc2ccccc2[N+](=O)[O-])(c2ccccc2)CC1 ZINC000870193532 1012258507 /nfs/dbraw/zinc/25/85/07/1012258507.db2.gz VNLHRCCUMDOUJC-UHFFFAOYSA-N 1 0 367.449 2.917 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CCN2CCC(C)CC2)c1F ZINC001173174801 1012318918 /nfs/dbraw/zinc/31/89/18/1012318918.db2.gz CEUQRVFYLOVQJD-AWEZNQCLSA-N 1 0 353.438 2.995 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C[C@@H]2C(=O)Nc3ccccc32)c1F ZINC001173178010 1012321203 /nfs/dbraw/zinc/32/12/03/1012321203.db2.gz FOMCXLDREIBUKW-RISCZKNCSA-N 1 0 373.384 2.999 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CCc2ccc(CO)cc2)c1F ZINC001173180495 1012323309 /nfs/dbraw/zinc/32/33/09/1012323309.db2.gz RADMGUSFXOUTLC-ZDUSSCGKSA-N 1 0 362.401 2.998 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2CCC[C@](F)(CO)CC2)c1F ZINC001173180029 1012323986 /nfs/dbraw/zinc/32/39/86/1012323986.db2.gz ICRAJDFRILJDPH-SJKOYZFVSA-N 1 0 358.385 2.860 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c1F ZINC001173191725 1012333001 /nfs/dbraw/zinc/33/30/01/1012333001.db2.gz GTIDEWLUHUJCAL-MJBXVCDLSA-N 1 0 351.422 2.842 20 5 FFBDRO COC(=O)[C@@]1(C)CC[N@@H+]([C@@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C1 ZINC001173192839 1012333806 /nfs/dbraw/zinc/33/38/06/1012333806.db2.gz KXQKNWDLSMGYKP-GTNSWQLSSA-N 1 0 354.378 2.559 20 5 FFBDRO COC(=O)[C@H]1CCC[N@@H+]([C@@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])CC1 ZINC001173192004 1012335325 /nfs/dbraw/zinc/33/53/25/1012335325.db2.gz HELPPXYIOMMGFX-STQMWFEESA-N 1 0 368.405 2.949 20 5 FFBDRO COC(=O)[C@@H]1C[C@H](C)C[N@@H+]([C@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C1 ZINC001173197249 1012341896 /nfs/dbraw/zinc/34/18/96/1012341896.db2.gz RUPYHRRAZLPIBU-YNEHKIRRSA-N 1 0 368.405 2.805 20 5 FFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC001173215725 1012350167 /nfs/dbraw/zinc/35/01/67/1012350167.db2.gz YVLJXPLMDMVJLG-YJBOKZPZSA-N 1 0 353.422 2.917 20 5 FFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCN1CCN(c2ccccc2)CC1 ZINC001173216924 1012351057 /nfs/dbraw/zinc/35/10/57/1012351057.db2.gz KFPPRGGHYSRSTE-GOSISDBHSA-N 1 0 368.481 2.938 20 5 FFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCc2onc(Cn3ccnc3)c2C1 ZINC001173224151 1012359279 /nfs/dbraw/zinc/35/92/79/1012359279.db2.gz IPAXCWSIORWSAB-CQSZACIVSA-N 1 0 367.409 2.817 20 5 FFBDRO COCCN1CC[N@@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)Cc2cccnc21 ZINC001173226347 1012361791 /nfs/dbraw/zinc/36/17/91/1012361791.db2.gz MAEDNHFKFQMDRO-MRXNPFEDSA-N 1 0 370.453 2.889 20 5 FFBDRO CCO[C@H]1CC[N@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)[C@H]1Cc1cnn(C)c1 ZINC001173230272 1012364008 /nfs/dbraw/zinc/36/40/08/1012364008.db2.gz ZPZVOBPARNVQKB-YSSFQJQWSA-N 1 0 372.469 2.981 20 5 FFBDRO COC[C@H](C[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1)NC(=O)OC(C)(C)C ZINC001173233932 1012367677 /nfs/dbraw/zinc/36/76/77/1012367677.db2.gz LQOQQIZKWSXBCS-ZFWWWQNUSA-N 1 0 367.446 2.655 20 5 FFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001173209583 1012369045 /nfs/dbraw/zinc/36/90/45/1012369045.db2.gz DFAXVFXXOBITIR-KKBVYLPWSA-N 1 0 361.442 2.981 20 5 FFBDRO CCn1c(=O)ccc2c1CC[C@@H]([NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1)C2 ZINC001173210522 1012369079 /nfs/dbraw/zinc/36/90/79/1012369079.db2.gz LLMMCPDAFPITGD-WMLDXEAASA-N 1 0 355.438 2.855 20 5 FFBDRO COC(=O)c1cnc2c(c1)C[N@H+]([C@H](C)Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC001173237132 1012381554 /nfs/dbraw/zinc/38/15/54/1012381554.db2.gz ICCPSVOEJUJFQH-CYBMUJFWSA-N 1 0 355.394 2.766 20 5 FFBDRO CC1(C)CC([NH2+]C2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)C1 ZINC001173694377 1012901968 /nfs/dbraw/zinc/90/19/68/1012901968.db2.gz NVKMRGZJDKIGSO-UHFFFAOYSA-N 1 0 367.471 2.526 20 5 FFBDRO O=C(NCc1cccc2c1CC[N@H+](Cc1ccccc1)C2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001051291672 1017271407 /nfs/dbraw/zinc/27/14/07/1017271407.db2.gz XTTSOHKJURUDPH-WOJBJXKFSA-N 1 0 365.433 2.526 20 5 FFBDRO CN(C)c1cc[nH+]c(CNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000924659535 1017402115 /nfs/dbraw/zinc/40/21/15/1017402115.db2.gz LTAUBVLDMHOGRA-UHFFFAOYSA-N 1 0 369.425 2.930 20 5 FFBDRO COc1ccc(OC)c([C@H](O)C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000801602058 1019162319 /nfs/dbraw/zinc/16/23/19/1019162319.db2.gz UVISJLJOTRZUNT-GOSISDBHSA-N 1 0 360.410 2.820 20 5 FFBDRO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])N1CCN(c2cc[nH+]cc2)CC1 ZINC000929447408 1019434174 /nfs/dbraw/zinc/43/41/74/1019434174.db2.gz ZLVBXAHIMYUGED-UHFFFAOYSA-N 1 0 374.828 2.925 20 5 FFBDRO CN(C)c1ccc(-c2nnc(C[C@@H]([NH3+])c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC001217734112 1032853168 /nfs/dbraw/zinc/85/31/68/1032853168.db2.gz SLCZDKQUORLMPC-MRXNPFEDSA-N 1 0 353.382 2.953 20 5 FFBDRO COc1ccc(NC(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)cc1[N+](=O)[O-] ZINC000930769529 1020170740 /nfs/dbraw/zinc/17/07/40/1020170740.db2.gz PQCSRFNHFIBMBR-CQSZACIVSA-N 1 0 362.430 2.799 20 5 FFBDRO O=C1CCc2cc([N+](=O)[O-])c(NC3CC[NH+](C[C@@H]4CCCO4)CC3)cc2N1 ZINC000725787236 1020258283 /nfs/dbraw/zinc/25/82/83/1020258283.db2.gz GQWHTPLSHDEZTN-HNNXBMFYSA-N 1 0 374.441 2.535 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2cnn(CN3CC[C@@H](C[NH+]4CCCC4)C3)c2)c1 ZINC000777956300 1020327975 /nfs/dbraw/zinc/32/79/75/1020327975.db2.gz DSMYJGQNLQGCEP-INIZCTEOSA-N 1 0 355.442 2.834 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](OC[C@@H]2C[C@H]3CC[NH2+]C[C@@H]3O2)C(F)(F)F)cc1 ZINC001217916652 1032905069 /nfs/dbraw/zinc/90/50/69/1032905069.db2.gz JSZYJDUHVYINQO-UNQGMJICSA-N 1 0 360.332 2.982 20 5 FFBDRO CC(C)C[C@@H]1CCC[N@@H+]1CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000726588440 1020489895 /nfs/dbraw/zinc/48/98/95/1020489895.db2.gz KDCZIDGHBMVRLS-AWEZNQCLSA-N 1 0 360.414 2.831 20 5 FFBDRO COc1cc(CN2[C@@H]3CC[C@H]2C[N@H+](C)CC3)c([N+](=O)[O-])cc1OC(F)F ZINC000931730779 1020566602 /nfs/dbraw/zinc/56/66/02/1020566602.db2.gz XUEDQUUQKGCTQL-OLZOCXBDSA-N 1 0 371.384 2.873 20 5 FFBDRO CCO[C@@H](CNC(=O)Nc1cc([N+](=O)[O-])ccc1C(C)(C)C)C[NH+](C)C ZINC000932209710 1020743741 /nfs/dbraw/zinc/74/37/41/1020743741.db2.gz DSDJSNGAOVZPPS-AWEZNQCLSA-N 1 0 366.462 2.981 20 5 FFBDRO O=C(C[NH2+][C@@H](c1ccccn1)C1CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000932381794 1020787311 /nfs/dbraw/zinc/78/73/11/1020787311.db2.gz OPVLPYOBRFWTJL-LJQANCHMSA-N 1 0 352.394 2.620 20 5 FFBDRO O=C(C[NH2+][C@H](c1ccccn1)C1CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000932381793 1020788271 /nfs/dbraw/zinc/78/82/71/1020788271.db2.gz OPVLPYOBRFWTJL-IBGZPJMESA-N 1 0 352.394 2.620 20 5 FFBDRO Cn1cc([C@@]2(C[NH2+][C@@H](Cc3ccccc3[N+](=O)[O-])C3CC3)CCCO2)cn1 ZINC000903356134 1020802046 /nfs/dbraw/zinc/80/20/46/1020802046.db2.gz PFICLMSDVODGPN-ICSRJNTNSA-N 1 0 370.453 2.945 20 5 FFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@]1(c2cnn(C)c2)CCCO1 ZINC000903360432 1020804836 /nfs/dbraw/zinc/80/48/36/1020804836.db2.gz WMEIIPURLAHVSC-FZKQIMNGSA-N 1 0 362.405 2.694 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H](C2CCOCC2)C1 ZINC000933079999 1020953684 /nfs/dbraw/zinc/95/36/84/1020953684.db2.gz RHYZPNCPUGVEAO-MRXNPFEDSA-N 1 0 361.442 2.980 20 5 FFBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933738681 1021080890 /nfs/dbraw/zinc/08/08/90/1021080890.db2.gz LKNQLANIETUHMD-XAYKYTGQSA-N 1 0 357.414 2.589 20 5 FFBDRO Cc1noc2nc(O[C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)c3c(c12)CC[NH2+]C3 ZINC001218044961 1032969930 /nfs/dbraw/zinc/96/99/30/1032969930.db2.gz GHWWMUCFLFNEKC-CQSZACIVSA-N 1 0 366.377 2.631 20 5 FFBDRO Cc1c(Br)cnc(O[C@H]2CCC[C@@]23CC[NH2+]C3)c1[N+](=O)[O-] ZINC001218098881 1032994175 /nfs/dbraw/zinc/99/41/75/1032994175.db2.gz XAXJAOULEBBBGS-FZMZJTMJSA-N 1 0 356.220 2.972 20 5 FFBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000014887662 1021709663 /nfs/dbraw/zinc/70/96/63/1021709663.db2.gz RBRMNOMORNPVTJ-SFHVURJKSA-N 1 0 356.426 2.694 20 5 FFBDRO O=[N+]([O-])c1ccc(I)c(O[C@@H]2CC[C@@]23CC[NH2+]C3)c1 ZINC001218120063 1033007993 /nfs/dbraw/zinc/00/79/93/1033007993.db2.gz SNXSDUIEXIHEOM-OLZOCXBDSA-N 1 0 374.178 2.720 20 5 FFBDRO CC1CC[NH+](CCc2nnc(CCOc3ccccc3[N+](=O)[O-])o2)CC1 ZINC001118359010 1022194639 /nfs/dbraw/zinc/19/46/39/1022194639.db2.gz YTARAAKYENTTDY-UHFFFAOYSA-N 1 0 360.414 2.874 20 5 FFBDRO CC(C)C[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CC1 ZINC000043008370 1022205972 /nfs/dbraw/zinc/20/59/72/1022205972.db2.gz VDHAIHGNAZNGIY-UHFFFAOYSA-N 1 0 360.458 2.609 20 5 FFBDRO O=[N+]([O-])c1cc(O[C@@H]2CCC3(C[NH2+]C3)C2)ccc1I ZINC001218238518 1033064383 /nfs/dbraw/zinc/06/43/83/1033064383.db2.gz PVKFPAUHRMMOGI-SNVBAGLBSA-N 1 0 374.178 2.720 20 5 FFBDRO O=C(OCc1cccnc1[N+](=O)[O-])C1CC[NH+](Cc2ccccc2)CC1 ZINC001119398800 1022739597 /nfs/dbraw/zinc/73/95/97/1022739597.db2.gz ZUSZRICOTYQBAK-UHFFFAOYSA-N 1 0 355.394 2.945 20 5 FFBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC2(CCN2Cc2ccccc2)C1 ZINC001119585153 1022876695 /nfs/dbraw/zinc/87/66/95/1022876695.db2.gz LKGZAPJUYNGPIY-UHFFFAOYSA-N 1 0 366.421 2.737 20 5 FFBDRO [NH3+][C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC[C@@H]1C(F)(F)F ZINC001122242656 1023139028 /nfs/dbraw/zinc/13/90/28/1023139028.db2.gz LOLKJDQKSWUXDQ-JQWIXIFHSA-N 1 0 365.739 2.529 20 5 FFBDRO C/C(=C/C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000752424330 1023140296 /nfs/dbraw/zinc/14/02/96/1023140296.db2.gz KFRPQGADWYNVAG-IRVMHKCDSA-N 1 0 373.453 2.615 20 5 FFBDRO C[C@@]([NH3+])(C(=O)N[C@@H]1Cc2ccc(Cl)cc2C1)c1cccc([N+](=O)[O-])c1 ZINC001122419220 1023255641 /nfs/dbraw/zinc/25/56/41/1023255641.db2.gz YMPBAHZHOLDDTF-QAPCUYQASA-N 1 0 359.813 2.706 20 5 FFBDRO O=C(NCC[C@H]1CCC[NH2+]CC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC001122508539 1023310008 /nfs/dbraw/zinc/31/00/08/1023310008.db2.gz KODHHQCFYNMYHN-HNNXBMFYSA-N 1 0 360.458 2.705 20 5 FFBDRO Cc1cc2ncn(C[C@@H](O)C[NH2+]Cc3ccc([N+](=O)[O-])cc3)c2cc1C ZINC001120572726 1023366602 /nfs/dbraw/zinc/36/66/02/1023366602.db2.gz YAADHUZBBVEUAX-KRWDZBQOSA-N 1 0 354.410 2.712 20 5 FFBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000755316230 1023590349 /nfs/dbraw/zinc/59/03/49/1023590349.db2.gz LVZWWNIUNYILJQ-OCKXMSAZSA-N 1 0 373.453 2.758 20 5 FFBDRO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])[C@H]2C1 ZINC001121200896 1023647107 /nfs/dbraw/zinc/64/71/07/1023647107.db2.gz YXWALRDAPKQGHE-WCFLWFBJSA-N 1 0 369.874 2.797 20 5 FFBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)c3ccc(F)s3)c2)CC1 ZINC001121252610 1023671774 /nfs/dbraw/zinc/67/17/74/1023671774.db2.gz MXRBYQWMCWYPHY-UHFFFAOYSA-N 1 0 364.402 2.800 20 5 FFBDRO C[C@@H](c1nnc(N2CCC(C[N@H+](C)Cc3ccccc3)CC2)n1C)[N+](=O)[O-] ZINC001121389505 1023745034 /nfs/dbraw/zinc/74/50/34/1023745034.db2.gz UBBJCOHAJMZBON-HNNXBMFYSA-N 1 0 372.473 2.501 20 5 FFBDRO CCC[C@@H]1CCC[N@H+](CN2C(=O)N[C@@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000757610430 1023836438 /nfs/dbraw/zinc/83/64/38/1023836438.db2.gz MWSUHVDWGANHBP-KUHUBIRLSA-N 1 0 374.441 2.831 20 5 FFBDRO C[N+](C)(C)C[C@H](O)CC(=O)OCc1cccc(OCc2ccccc2)c1 ZINC001222823424 1033169568 /nfs/dbraw/zinc/16/95/68/1033169568.db2.gz WAGUIYLHIPETDX-LJQANCHMSA-N 1 0 358.458 2.766 20 5 FFBDRO O=[N+]([O-])c1ccc(O[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]23)cc1I ZINC001218463365 1033168537 /nfs/dbraw/zinc/16/85/37/1033168537.db2.gz BMJGBJHYSXEHGA-ZDSQKVDBSA-N 1 0 374.178 2.576 20 5 FFBDRO [NH3+][C@@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC[C@H]1C(F)(F)F ZINC001122160012 1024394417 /nfs/dbraw/zinc/39/44/17/1024394417.db2.gz FAZHBIWXNMWJQY-GHMZBOCLSA-N 1 0 351.712 2.600 20 5 FFBDRO C[C@H]1C[C@H](NC(=O)c2ccc(N)c([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000079945146 1024422544 /nfs/dbraw/zinc/42/25/44/1024422544.db2.gz BXUXZKUKBQEZPH-WMLDXEAASA-N 1 0 368.437 2.960 20 5 FFBDRO C[C@H]1C[C@H](C)CN(c2ccc(C(=O)NC[C@@H]3CCC[N@@H+]3C)cc2[N+](=O)[O-])C1 ZINC000194736012 1024884886 /nfs/dbraw/zinc/88/48/86/1024884886.db2.gz VNUKBCPTSYDOIY-ZOBUZTSGSA-N 1 0 374.485 2.901 20 5 FFBDRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000195138649 1024947252 /nfs/dbraw/zinc/94/72/52/1024947252.db2.gz VSENRAUABFRLFX-UHFFFAOYSA-N 1 0 356.426 2.949 20 5 FFBDRO O=[N+]([O-])c1c(N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)nc2ccccn21 ZINC000795206898 1025356744 /nfs/dbraw/zinc/35/67/44/1025356744.db2.gz LWNRTRNIFKMZGX-CALCHBBNSA-N 1 0 363.421 2.811 20 5 FFBDRO O=C(NCC1CC[NH+](CCCCc2ccccc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001223114192 1033293372 /nfs/dbraw/zinc/29/33/72/1033293372.db2.gz KAEAZVXBTSOOMS-RTBURBONSA-N 1 0 359.470 2.503 20 5 FFBDRO O=C(NCC1CC[NH+](CC/C=C\c2ccccc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001223113927 1033293775 /nfs/dbraw/zinc/29/37/75/1033293775.db2.gz FCFNIRHJJFVZBE-HUPPCRNXSA-N 1 0 357.454 2.583 20 5 FFBDRO CCCCCNC(=O)[C@@H](C)OC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000838100511 1026208314 /nfs/dbraw/zinc/20/83/14/1026208314.db2.gz FHWLLZRKYIUGMB-CYBMUJFWSA-N 1 0 374.397 2.632 20 5 FFBDRO CN1CCN(C2C[NH+](Cc3c4ccccc4cc4ccccc43)C2)CC1=O ZINC001141727769 1026873079 /nfs/dbraw/zinc/87/30/79/1026873079.db2.gz DWMGMXMBAKMOML-UHFFFAOYSA-N 1 0 359.473 2.951 20 5 FFBDRO O=[N+]([O-])c1cn(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)nc1-c1ccncc1 ZINC000840113698 1026962197 /nfs/dbraw/zinc/96/21/97/1026962197.db2.gz CBQUNPLTBXKMRI-JFIYKMOQSA-N 1 0 371.441 2.826 20 5 FFBDRO CC[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C[C@@H](O)c1ccc(C)cc1 ZINC000247702804 1027220739 /nfs/dbraw/zinc/22/07/39/1027220739.db2.gz YGYMKAHTQQLIGX-AZUAARDMSA-N 1 0 374.437 2.698 20 5 FFBDRO O=[N+]([O-])c1cc[n+]([O-])c(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC001159288019 1027340317 /nfs/dbraw/zinc/34/03/17/1027340317.db2.gz KGKVTINREKOWAU-OSYLJGHBSA-N 1 0 354.410 2.836 20 5 FFBDRO CCOC(=O)c1cc(Nc2cccc(N3CC[NH2+]CC3)c2)cc([N+](=O)[O-])c1 ZINC001159855828 1027520365 /nfs/dbraw/zinc/52/03/65/1027520365.db2.gz JTANLMAVZMKPKN-UHFFFAOYSA-N 1 0 370.409 2.925 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])cnc1-n1c2ccccc2c2c1C[C@@H]([NH3+])CC2 ZINC001159946896 1027542769 /nfs/dbraw/zinc/54/27/69/1027542769.db2.gz GLEFVKNFVVAAIA-NSHDSACASA-N 1 0 366.377 2.536 20 5 FFBDRO Cc1cc(C)cc(C[N@H+]2CC=C(CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 ZINC001160090820 1027586764 /nfs/dbraw/zinc/58/67/64/1027586764.db2.gz QCGLUHRCWQZEAC-RTBURBONSA-N 1 0 357.454 2.607 20 5 FFBDRO Nc1cc([N+](=O)[O-])cnc1N[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1[NH3+] ZINC001160634352 1027780715 /nfs/dbraw/zinc/78/07/15/1027780715.db2.gz AEESGEHPHZWGGI-GUMHCPJTSA-N 1 0 373.416 2.971 20 5 FFBDRO COC(CN(C)C(=O)[C@@H]([NH3+])Cc1c2ccccc2cc2ccccc21)OC ZINC001160685800 1027802601 /nfs/dbraw/zinc/80/26/01/1027802601.db2.gz GGAOIWKUQPQHSH-FQEVSTJZSA-N 1 0 366.461 2.940 20 5 FFBDRO C[NH+](C)CCc1cccc(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)c1 ZINC001153495846 1027905775 /nfs/dbraw/zinc/90/57/75/1027905775.db2.gz VBIBPEVTEBPCDB-UHFFFAOYSA-N 1 0 353.382 2.828 20 5 FFBDRO COC(=O)c1ccc(C[NH3+])n1-c1ccc2c(ccc(Cl)c2[N+](=O)[O-])n1 ZINC001161934124 1028367816 /nfs/dbraw/zinc/36/78/16/1028367816.db2.gz IKNCPOBINILYSW-UHFFFAOYSA-N 1 0 360.757 2.832 20 5 FFBDRO COCCC1([NH3+])CCN(C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)CC1 ZINC001162042236 1028411335 /nfs/dbraw/zinc/41/13/35/1028411335.db2.gz ZRUIAOLGTQGADZ-UHFFFAOYSA-N 1 0 364.780 2.522 20 5 FFBDRO COc1cc(N(Cc2ccncc2)[C@H]2CC[C@H]([NH3+])CC2)ncc1[N+](=O)[O-] ZINC001162195288 1028465974 /nfs/dbraw/zinc/46/59/74/1028465974.db2.gz SYTLHXVIPPGCNW-SHTZXODSSA-N 1 0 357.414 2.670 20 5 FFBDRO COC(=O)COc1c(C)cc(NC[C@H]2CCC[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC001162470491 1028550513 /nfs/dbraw/zinc/55/05/13/1028550513.db2.gz KZQDKWXZUDKBAU-UONOGXRCSA-N 1 0 365.430 2.503 20 5 FFBDRO CCOC(=O)c1nc(Cl)nc(Nc2ccc(C[NH3+])c(F)c2)c1[N+](=O)[O-] ZINC001162522792 1028567341 /nfs/dbraw/zinc/56/73/41/1028567341.db2.gz PGHWPRPKCIFRED-UHFFFAOYSA-N 1 0 369.740 2.556 20 5 FFBDRO CC[N@H+](CC1CC2(CCC2)C1)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000957713074 1028581862 /nfs/dbraw/zinc/58/18/62/1028581862.db2.gz KJOMXNPPNDAQFJ-QZTJIDSGSA-N 1 0 363.502 2.792 20 5 FFBDRO CCOC1(OCC)CC[NH2+]C[C@H]1Nc1ccc2cnccc2c1[N+](=O)[O-] ZINC001162732664 1028638821 /nfs/dbraw/zinc/63/88/21/1028638821.db2.gz GQFJZURDBKKPRE-MRXNPFEDSA-N 1 0 360.414 2.686 20 5 FFBDRO O=[N+]([O-])c1cc(-c2ccc(N[C@@H]3C=C[C@H]4C[NH2+]C[C@H]43)nn2)ccc1Cl ZINC001162801366 1028660776 /nfs/dbraw/zinc/66/07/76/1028660776.db2.gz IOWDEMUTJBNTQP-YWPYICTPSA-N 1 0 357.801 2.891 20 5 FFBDRO CC(=O)N1CCc2cc(NCc3ccc4c(c3)CC[NH2+]C4)cc([N+](=O)[O-])c21 ZINC001162815437 1028668806 /nfs/dbraw/zinc/66/88/06/1028668806.db2.gz KPSZZQNUALKJSZ-UHFFFAOYSA-N 1 0 366.421 2.762 20 5 FFBDRO O=[N+]([O-])c1cc2c(cc1F)ncnc2NCC[C@@H]1C[NH2+]Cc2cccn2C1 ZINC001163056441 1028777645 /nfs/dbraw/zinc/77/76/45/1028777645.db2.gz RPPDVPXNYKCFSG-GFCCVEGCSA-N 1 0 370.388 2.700 20 5 FFBDRO Cc1c(NCC[C@@H]2C[NH2+]Cc3cccn3C2)ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001163061659 1028781382 /nfs/dbraw/zinc/78/13/82/1028781382.db2.gz ZYJBRKNSLFAQDR-CYBMUJFWSA-N 1 0 359.386 2.835 20 5 FFBDRO Cc1cc(NCc2noc3c2C[NH2+]CC3)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001163130362 1028815662 /nfs/dbraw/zinc/81/56/62/1028815662.db2.gz ZEGJOWICCHVFQN-UHFFFAOYSA-N 1 0 366.381 2.606 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ccccc2)nc1NC[C@@H]1OC[C@H]2C[NH2+]CC[C@H]21 ZINC001163164240 1028827254 /nfs/dbraw/zinc/82/72/54/1028827254.db2.gz RFRHHUJDKBDNHR-RKVPGOIHSA-N 1 0 354.410 2.693 20 5 FFBDRO O=[N+]([O-])c1cnc(Cl)c(C(F)(F)NC[C@@H]2Cc3ccccc3C[NH2+]2)c1 ZINC001163271541 1028865666 /nfs/dbraw/zinc/86/56/66/1028865666.db2.gz ABCVJGAMKDSRNT-LBPRGKRZSA-N 1 0 368.771 2.997 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ccccc2)nc1N[C@H]1CCO[C@]2(CC[NH2+]C2)C1 ZINC001163308964 1028885939 /nfs/dbraw/zinc/88/59/39/1028885939.db2.gz FWWDVXSEGRVTDQ-HNAYVOBHSA-N 1 0 354.410 2.980 20 5 FFBDRO O=[N+]([O-])c1c(Cl)c2ccccc2nc1N(c1ncccn1)C1C[NH2+]C1 ZINC001155869691 1028949888 /nfs/dbraw/zinc/94/98/88/1028949888.db2.gz KAGFIQJFVMIEBH-UHFFFAOYSA-N 1 0 356.773 2.696 20 5 FFBDRO N=C(NC(=O)c1cc(=S)cc2[nH]c3ccccc3nc1-2)SCC[NH3+] ZINC001155997186 1029005129 /nfs/dbraw/zinc/00/51/29/1029005129.db2.gz QTLYPBNDRIMZFK-UHFFFAOYSA-N 1 0 357.464 2.754 20 5 FFBDRO Cn1c2ccccc2c(NC[C@H]2CCC[N@H+](CC3CC3)C2)c([N+](=O)[O-])c1=O ZINC001163817300 1029073475 /nfs/dbraw/zinc/07/34/75/1029073475.db2.gz HTVOILAFIZCUQM-OAHLLOKOSA-N 1 0 370.453 2.981 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H]2CC[N@@H+]2C2CCCCCC2)n1 ZINC001163942213 1029122735 /nfs/dbraw/zinc/12/27/35/1029122735.db2.gz OWHYJOQXVPKGMD-CQSZACIVSA-N 1 0 362.430 2.985 20 5 FFBDRO Cc1cc(C[NH3+])nn1-c1c2ccc(Br)cc2ncc1[N+](=O)[O-] ZINC001163984955 1029135146 /nfs/dbraw/zinc/13/51/46/1029135146.db2.gz FZQVMCQTWSWKEZ-UHFFFAOYSA-N 1 0 362.187 2.858 20 5 FFBDRO O=[N+]([O-])c1cc[n+]([O-])c(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)c1 ZINC001156315422 1029140972 /nfs/dbraw/zinc/14/09/72/1029140972.db2.gz NXTNGQSYPIWZKE-BPQIPLTHSA-N 1 0 354.410 2.551 20 5 FFBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC001156318185 1029143065 /nfs/dbraw/zinc/14/30/65/1029143065.db2.gz QBMZISQPEFCCKX-FGTMMUONSA-N 1 0 368.437 2.859 20 5 FFBDRO Nc1cc(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)ncc1[N+](=O)[O-] ZINC001156317360 1029143957 /nfs/dbraw/zinc/14/39/57/1029143957.db2.gz LYJUSNZELZZLQZ-ZMSDIMECSA-N 1 0 353.426 2.895 20 5 FFBDRO CS(=O)(=O)N(c1cccc(C[NH3+])c1)c1ccc2ccc([N+](=O)[O-])cc2n1 ZINC001156486664 1029212865 /nfs/dbraw/zinc/21/28/65/1029212865.db2.gz SMJFGJWACGMHQV-UHFFFAOYSA-N 1 0 372.406 2.699 20 5 FFBDRO CC(C)c1ccccc1C[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001164494583 1029298619 /nfs/dbraw/zinc/29/86/19/1029298619.db2.gz NKCDHVOWSNALQH-QZTJIDSGSA-N 1 0 359.470 2.851 20 5 FFBDRO CC[N@H+]([C@@H]1CCOC1)C1CCN(c2nccc(Cl)c2[N+](=O)[O-])CC1 ZINC001165109741 1029397230 /nfs/dbraw/zinc/39/72/30/1029397230.db2.gz VODMXHLWUARQNZ-CYBMUJFWSA-N 1 0 354.838 2.723 20 5 FFBDRO C[NH+]1CCC2(CCN2C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC1 ZINC000781942355 1029485474 /nfs/dbraw/zinc/48/54/74/1029485474.db2.gz ACWSGUDGUOJTKY-UHFFFAOYSA-N 1 0 361.445 2.992 20 5 FFBDRO C[N@@H+]1CCC[C@@H]2CN(c3nc(C(F)(F)F)nc(Cl)c3[N+](=O)[O-])C[C@@H]21 ZINC001157272461 1029531975 /nfs/dbraw/zinc/53/19/75/1029531975.db2.gz MYKQWQIGNFLMCT-SFYZADRCSA-N 1 0 365.743 2.587 20 5 FFBDRO Cc1ncc([N+](=O)[O-])c(N(c2ncnc3ccccc32)C2CC[NH2+]CC2)n1 ZINC001157319188 1029550924 /nfs/dbraw/zinc/55/09/24/1029550924.db2.gz JMNVUQHOLSRXAW-UHFFFAOYSA-N 1 0 365.397 2.527 20 5 FFBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N(c2ccncc2F)C2CC[NH2+]CC2)n1 ZINC001158334349 1029800713 /nfs/dbraw/zinc/80/07/13/1029800713.db2.gz RLNGIQOYJKFEJD-UHFFFAOYSA-N 1 0 366.784 2.771 20 5 FFBDRO C[NH+](C)CCc1ccccc1NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000782748637 1029806797 /nfs/dbraw/zinc/80/67/97/1029806797.db2.gz MITKYPUSRMKZJD-UHFFFAOYSA-N 1 0 367.409 2.687 20 5 FFBDRO O=[N+]([O-])c1c(Cl)cc(Cl)nc1NCc1ncn2c1C[NH2+]CCC2 ZINC001158358978 1029808633 /nfs/dbraw/zinc/80/86/33/1029808633.db2.gz BDKICLHKACVXAU-UHFFFAOYSA-N 1 0 357.201 2.599 20 5 FFBDRO COc1cc2ncnc(N3CC[N@H+](C)CC34CCCC4)c2cc1[N+](=O)[O-] ZINC001158409828 1029821567 /nfs/dbraw/zinc/82/15/67/1029821567.db2.gz BKEKHINYPHZKKH-UHFFFAOYSA-N 1 0 357.414 2.611 20 5 FFBDRO O=[N+]([O-])c1c(Cl)nc(C(F)(F)F)nc1N1CC[C@]2(C1)CCC[NH2+]C2 ZINC001165243967 1029911410 /nfs/dbraw/zinc/91/14/10/1029911410.db2.gz QAAYBTCAKCMKRJ-GFCCVEGCSA-N 1 0 365.743 2.637 20 5 FFBDRO CCc1cc(N2CCC(F)(C[NH3+])CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001165263554 1029920608 /nfs/dbraw/zinc/92/06/08/1029920608.db2.gz BZNMWQWBWBYFKU-UHFFFAOYSA-N 1 0 359.405 2.881 20 5 FFBDRO C[C@@H]1CCC[C@](CNC(=O)Cc2cccc(F)c2[N+](=O)[O-])([NH+](C)C)C1 ZINC001142066932 1029955802 /nfs/dbraw/zinc/95/58/02/1029955802.db2.gz ZYQFPTPEZDIGRV-ACJLOTCBSA-N 1 0 351.422 2.903 20 5 FFBDRO [NH3+]C1([C@@H]2CN(c3nc(Cl)nc4ccc([N+](=O)[O-])cc43)C[C@@H]2CF)CC1 ZINC001165428830 1029978378 /nfs/dbraw/zinc/97/83/78/1029978378.db2.gz HBGRCVLPTSDAKV-JOYOIKCWSA-N 1 0 365.796 2.705 20 5 FFBDRO COCc1nn(-c2nc3ccccc3c(Cl)c2[N+](=O)[O-])c2c1C[NH2+]C2 ZINC001165631743 1030062898 /nfs/dbraw/zinc/06/28/98/1030062898.db2.gz FYTWORKSWHWNSR-UHFFFAOYSA-N 1 0 359.773 2.732 20 5 FFBDRO C[N@H+](C[C@@H]1CC=CCC1)CN1C(=O)N[C@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000784011328 1030413324 /nfs/dbraw/zinc/41/33/24/1030413324.db2.gz PNQAFAMAWFKVTE-AUUYWEPGSA-N 1 0 372.425 2.607 20 5 FFBDRO COc1nc(NC[C@H](c2ccccc2)[NH+]2CCCC2)nc(C)c1[N+](=O)[O-] ZINC001166866115 1030554945 /nfs/dbraw/zinc/55/49/45/1030554945.db2.gz WRGSXOROEJBUNL-OAHLLOKOSA-N 1 0 357.414 2.951 20 5 FFBDRO O=[N+]([O-])c1ccc2ccnc(-n3cc4c(cccc4N4CC[NH2+]CC4)n3)c2c1 ZINC001166994833 1030602583 /nfs/dbraw/zinc/60/25/83/1030602583.db2.gz YJZPRNWXZCTEKA-UHFFFAOYSA-N 1 0 374.404 2.892 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ncn(C[N@@H+]3CCC[C@@H]3[C@@H]3CCCOC3)n2)cc1 ZINC000842613231 1030823542 /nfs/dbraw/zinc/82/35/42/1030823542.db2.gz BEIIXWLQJIEDCH-NVXWUHKLSA-N 1 0 357.414 2.702 20 5 FFBDRO CN(C(=O)[C@H]1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1)c1ccccc1 ZINC000797530175 1031144791 /nfs/dbraw/zinc/14/47/91/1031144791.db2.gz PQLFLRLONXYTLZ-LPHOPBHVSA-N 1 0 369.421 2.613 20 5 FFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@H](O)c2ccccc2C(F)(F)F)c1 ZINC000843070626 1031171569 /nfs/dbraw/zinc/17/15/69/1031171569.db2.gz VUPCEMMHZFOQJV-HOTGVXAUSA-N 1 0 370.327 2.970 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@H](O)c2ccccc2C(F)(F)F)c1 ZINC000843070628 1031172052 /nfs/dbraw/zinc/17/20/52/1031172052.db2.gz VUPCEMMHZFOQJV-HZPDHXFCSA-N 1 0 370.327 2.970 20 5 FFBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000843481853 1031421763 /nfs/dbraw/zinc/42/17/63/1031421763.db2.gz TWOVGSKBSJAAHM-GJZGRUSLSA-N 1 0 360.458 2.513 20 5 FFBDRO CC(C)(CC[NH+]1CCCCCC1)NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000829823858 1033357262 /nfs/dbraw/zinc/35/72/62/1033357262.db2.gz FMVSOGXAYMJJPB-QGZVFWFLSA-N 1 0 363.458 2.789 20 5 FFBDRO Nc1cc2nc3ccccc3nc2cc1NC(=O)[C@H]1C[NH2+]CCC1(F)F ZINC001218857002 1033378534 /nfs/dbraw/zinc/37/85/34/1033378534.db2.gz HSSQWZJWUMEDJC-SNVBAGLBSA-N 1 0 357.364 2.549 20 5 FFBDRO Nc1cc2nc3ccccc3nc2cc1NC(=O)C(F)(F)C1CC[NH2+]CC1 ZINC001218858721 1033380782 /nfs/dbraw/zinc/38/07/82/1033380782.db2.gz FKCKDZRDWHPZCU-UHFFFAOYSA-N 1 0 371.391 2.939 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])ccc1COC1CCN(c2cc[nH+]cc2)CC1 ZINC001223448516 1033448441 /nfs/dbraw/zinc/44/84/41/1033448441.db2.gz NQJAJMKUTJZDKK-UHFFFAOYSA-N 1 0 371.393 2.962 20 5 FFBDRO O=C(NCc1ccccc1)[C@@H]1CC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000830195826 1033503692 /nfs/dbraw/zinc/50/36/92/1033503692.db2.gz KDXZPHFLWBCSDF-OAHLLOKOSA-N 1 0 357.385 2.872 20 5 FFBDRO C[N+](C)(C)C[C@H](O)CC(=O)OCc1ccccc1OCc1ccccc1 ZINC001223941878 1033652478 /nfs/dbraw/zinc/65/24/78/1033652478.db2.gz JUYJUXJYZZMWAE-LJQANCHMSA-N 1 0 358.458 2.766 20 5 FFBDRO CCO[C@H]1C[C@H]([NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C12CCC2 ZINC000831315333 1034029828 /nfs/dbraw/zinc/02/98/28/1034029828.db2.gz XQGZGFCPTPWVGT-HOTGVXAUSA-N 1 0 365.405 3.000 20 5 FFBDRO C[NH+](C)[C@H]1CCOc2c(NC(=O)[C@@H](O)c3cccc([N+](=O)[O-])c3)cccc21 ZINC000831392729 1034062126 /nfs/dbraw/zinc/06/21/26/1034062126.db2.gz JLHKZUYPVWKXMV-IRXDYDNUSA-N 1 0 371.393 2.652 20 5 FFBDRO Cc1c(C[N@@H+]2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000831563768 1034127046 /nfs/dbraw/zinc/12/70/46/1034127046.db2.gz POSWZBWKXZNVDG-KGLIPLIRSA-N 1 0 371.359 2.746 20 5 FFBDRO Cc1c(C[N@@H+]2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000831563770 1034127778 /nfs/dbraw/zinc/12/77/78/1034127778.db2.gz POSWZBWKXZNVDG-ZIAGYGMSSA-N 1 0 371.359 2.746 20 5 FFBDRO O=[N+]([O-])c1cc(F)cc([N+](=O)[O-])c1O[C@H]1CC[C@H]([NH+]2CCOCC2)CC1 ZINC001225888939 1034439235 /nfs/dbraw/zinc/43/92/35/1034439235.db2.gz IFZWFEYSDGIUDS-JOCQHMNTSA-N 1 0 369.349 2.664 20 5 FFBDRO COC(=O)c1cc(Br)c(OC2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC001226267257 1034601179 /nfs/dbraw/zinc/60/11/79/1034601179.db2.gz GWBAFHKCPOYFIS-UHFFFAOYSA-N 1 0 373.203 2.617 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(O[C@@H]2CC[N@@H+]([C@H](C)c3ccccn3)C2)c1 ZINC001227044711 1034919535 /nfs/dbraw/zinc/91/95/35/1034919535.db2.gz QXVNLPBPSLVOLS-UKRRQHHQSA-N 1 0 371.393 2.991 20 5 FFBDRO CC(C)CN(CC1CC[NH+](C)CC1)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC001535869198 1069895122 /nfs/dbraw/zinc/89/51/22/1069895122.db2.gz FYNAASQGEJTQEC-UHFFFAOYSA-N 1 0 363.458 2.800 20 5 FFBDRO CN1CCO[C@@H](COc2c3ccccc3c(O)c3c(O)ccc(O)c23)C1 ZINC001228169700 1035971694 /nfs/dbraw/zinc/97/16/94/1035971694.db2.gz BLYMIXDQNKJENH-GFCCVEGCSA-N 1 0 355.390 2.819 20 5 FFBDRO CC(=O)O[C@H]1C[C@@H]2C[C@H](Oc3cc(Cl)cc([N+](=O)[O-])c3)C[C@H]1[N@@H+]2C ZINC001228258488 1036020450 /nfs/dbraw/zinc/02/04/50/1036020450.db2.gz ZTUJNGCWIOBWRU-KSYCFECVSA-N 1 0 354.790 2.794 20 5 FFBDRO CC(=O)Nc1cc(OC2CC[NH+](C3CC3)CC2)c(C(C)=O)cc1[N+](=O)[O-] ZINC001229127654 1036513003 /nfs/dbraw/zinc/51/30/03/1036513003.db2.gz AFCUMFPBZFXOEZ-UHFFFAOYSA-N 1 0 361.398 2.761 20 5 FFBDRO C[C@@H](C[NH+](C)C)Oc1ccc(I)cc1[N+](=O)[O-] ZINC001229940936 1036992033 /nfs/dbraw/zinc/99/20/33/1036992033.db2.gz MPBLTXUXYFNUAW-QMMMGPOBSA-N 1 0 350.156 2.528 20 5 FFBDRO COc1c(O)ccc(CN(C)CCCC(=O)OC(C)(C)C)c1[N+](=O)[O-] ZINC001207733198 1037682683 /nfs/dbraw/zinc/68/26/83/1037682683.db2.gz XJSJLYBPMOUCTE-UHFFFAOYSA-N 1 0 354.403 2.863 20 5 FFBDRO COc1cc(N2CCC([NH2+]Cc3ccc(F)cn3)CC2)ccc1[N+](=O)[O-] ZINC001256088175 1038372534 /nfs/dbraw/zinc/37/25/34/1038372534.db2.gz CGAIUKIZCFQRGX-UHFFFAOYSA-N 1 0 360.389 2.896 20 5 FFBDRO COc1cc(N2CCC([N@@H+]3C[C@@H](CO)CC[C@@H]3C)CC2)ccc1[N+](=O)[O-] ZINC001256092908 1038377795 /nfs/dbraw/zinc/37/77/95/1038377795.db2.gz AYVRLHZUKFRARH-GJZGRUSLSA-N 1 0 363.458 2.665 20 5 FFBDRO COc1cc(N2CCC([NH+]3CC4(C3)CCOCC4)CC2)ccc1[N+](=O)[O-] ZINC001256097768 1038383151 /nfs/dbraw/zinc/38/31/51/1038383151.db2.gz SLHJUGHRUXPBAZ-UHFFFAOYSA-N 1 0 361.442 2.685 20 5 FFBDRO COc1cc(N2CCC([N@@H+]3CCC[C@H](CCO)C3)CC2)ccc1[N+](=O)[O-] ZINC001256100983 1038384423 /nfs/dbraw/zinc/38/44/23/1038384423.db2.gz XDINVAOYTIGVLU-OAHLLOKOSA-N 1 0 363.458 2.667 20 5 FFBDRO COc1cc(N2CCC([N@H+]3C[C@@H]4[C@H]5CC[C@H](O5)[C@@H]4C3)CC2)ccc1[N+](=O)[O-] ZINC001256100528 1038385397 /nfs/dbraw/zinc/38/53/97/1038385397.db2.gz KAEUHOOWGKUKAF-XHVUQVIVSA-N 1 0 373.453 2.681 20 5 FFBDRO COc1cc(N2CCC(Nc3cccnc3C[NH3+])CC2)ccc1[N+](=O)[O-] ZINC001256102859 1038387976 /nfs/dbraw/zinc/38/79/76/1038387976.db2.gz UIRAHYXIYNKKGX-UHFFFAOYSA-N 1 0 357.414 2.538 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CCCC[C@@](F)(C[NH3+])C2)c1F ZINC001246573521 1039402496 /nfs/dbraw/zinc/40/24/96/1039402496.db2.gz DANUXFBTOBNKGZ-YVEFUNNKSA-N 1 0 357.401 2.826 20 5 FFBDRO CC(C)[C@@H]1C[NH2+]CCN1C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001246692402 1039439997 /nfs/dbraw/zinc/43/99/97/1039439997.db2.gz GZUUAFYSHPEIOM-KRWDZBQOSA-N 1 0 368.428 2.772 20 5 FFBDRO COc1cccc(-c2noc(C[C@H]([NH3+])Cc3ccc([N+](=O)[O-])cc3)n2)c1 ZINC001248216909 1040177367 /nfs/dbraw/zinc/17/73/67/1040177367.db2.gz SSUMBCNRDHWNJI-CQSZACIVSA-N 1 0 354.366 2.766 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@H](O)c3ccc(O)cc3)CC2)cc1 ZINC001254466885 1040734654 /nfs/dbraw/zinc/73/46/54/1040734654.db2.gz RTOOEXIPNMQDQW-IBGZPJMESA-N 1 0 357.410 2.592 20 5 FFBDRO CN1CC[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)Cc2cccnc21 ZINC001254477135 1040741778 /nfs/dbraw/zinc/74/17/78/1040741778.db2.gz OSGZMCCVKVUZKO-UHFFFAOYSA-N 1 0 367.453 2.911 20 5 FFBDRO N=c1nc([C@H]2CCC[NH2+]2)ccn1C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254478850 1040745714 /nfs/dbraw/zinc/74/57/14/1040745714.db2.gz LLVLZTHEVLMINJ-QGZVFWFLSA-N 1 0 368.441 2.537 20 5 FFBDRO CCOC(=O)[C@@H]1CCC[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254480133 1040747927 /nfs/dbraw/zinc/74/79/27/1040747927.db2.gz WCNRPJIGCQRVMO-OAHLLOKOSA-N 1 0 361.442 2.839 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCc1ccc(S(C)(=O)=O)cc1 ZINC001254535119 1040785821 /nfs/dbraw/zinc/78/58/21/1040785821.db2.gz HGRMNOUAYKCGAZ-CQSZACIVSA-N 1 0 362.451 2.762 20 5 FFBDRO CCn1c(=O)ccc2c1CC[C@H]([NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])C2 ZINC001254535402 1040786290 /nfs/dbraw/zinc/78/62/90/1040786290.db2.gz JEHXEWYHGRSAFX-PBHICJAKSA-N 1 0 355.438 2.855 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCNC(=O)c1ccc(Cl)cn1 ZINC001254539582 1040788830 /nfs/dbraw/zinc/78/88/30/1040788830.db2.gz FIEMSKBKDCRQBS-LBPRGKRZSA-N 1 0 362.817 2.594 20 5 FFBDRO COC[C@H](C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC001254539884 1040789281 /nfs/dbraw/zinc/78/92/81/1040789281.db2.gz LHODKGHFYDGGFF-HIFRSBDPSA-N 1 0 367.446 2.655 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCNC(=O)c1ccc(Cl)cn1 ZINC001254539581 1040789597 /nfs/dbraw/zinc/78/95/97/1040789597.db2.gz FIEMSKBKDCRQBS-GFCCVEGCSA-N 1 0 362.817 2.594 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1CCN(c2ncccn2)CC1 ZINC001254547823 1040790498 /nfs/dbraw/zinc/79/04/98/1040790498.db2.gz YCIOYYHZEVHYDW-HNNXBMFYSA-N 1 0 355.442 2.822 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H]2CCN(C(=O)c3ccco3)[C@@H]2C1 ZINC001254555878 1040797430 /nfs/dbraw/zinc/79/74/30/1040797430.db2.gz IQUVFZNOGKGGHK-UWWQBHOKSA-N 1 0 369.421 2.965 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](NC(=O)c2cccnc2)C1 ZINC001254569193 1040805477 /nfs/dbraw/zinc/80/54/77/1040805477.db2.gz IYGPQSJLQJXZAN-CRAIPNDOSA-N 1 0 368.437 2.815 20 5 FFBDRO COC(=O)C[C@@H]([NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1ccc(O)cc1 ZINC001254580627 1040812219 /nfs/dbraw/zinc/81/22/19/1040812219.db2.gz HKXUFMMWUHZLPB-MAUKXSAKSA-N 1 0 356.378 2.662 20 5 FFBDRO COc1ccc2c(c1)OC[C@@H](C[NH2+][C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254588664 1040820840 /nfs/dbraw/zinc/82/08/40/1040820840.db2.gz HMIUPPFHWCIZHX-CXAGYDPISA-N 1 0 354.406 2.912 20 5 FFBDRO CC(C)(C)OC(=O)NC[C@@H]1[C@H]2C[N@H+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@H]21 ZINC001254601049 1040832063 /nfs/dbraw/zinc/83/20/63/1040832063.db2.gz XRNHDPVZGMKIKK-TVFCKZIOSA-N 1 0 373.453 2.765 20 5 FFBDRO O=C(NC1CC[NH+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1)C1CCCC1 ZINC001254600885 1040832767 /nfs/dbraw/zinc/83/27/67/1040832767.db2.gz RXYFIHCAIYRQNK-IBGZPJMESA-N 1 0 357.454 2.833 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH+]1CCN(c3cc(Cl)ccn3)CC1)C2 ZINC001254603054 1040832948 /nfs/dbraw/zinc/83/29/48/1040832948.db2.gz LBTTZLHPVVTNRD-QGZVFWFLSA-N 1 0 358.829 2.933 20 5 FFBDRO COC(=O)c1ccc(C2C[NH+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)cc1 ZINC001254612385 1040841095 /nfs/dbraw/zinc/84/10/95/1040841095.db2.gz VVDDQRZMUGJTJF-LJQANCHMSA-N 1 0 352.390 2.948 20 5 FFBDRO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1C[C@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001262377070 1041665932 /nfs/dbraw/zinc/66/59/32/1041665932.db2.gz LEZHWWSDNLEOEP-GMTAPVOTSA-N 1 0 361.368 2.514 20 5 FFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c(F)c1N1CCOCC1 ZINC001262678649 1041789613 /nfs/dbraw/zinc/78/96/13/1041789613.db2.gz IXWLTGOIKHIGFF-UKRRQHHQSA-N 1 0 364.421 2.609 20 5 FFBDRO Cn1c(-c2ccc([N+](=O)[O-])s2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001262852411 1041902074 /nfs/dbraw/zinc/90/20/74/1041902074.db2.gz QIKFHSHWQOEVJL-UHFFFAOYSA-N 1 0 364.475 2.762 20 5 FFBDRO CC[NH+](CC)[C@@H](CNC(=O)Nc1c(C)cncc1[N+](=O)[O-])c1ccco1 ZINC001216473861 1042036041 /nfs/dbraw/zinc/03/60/41/1042036041.db2.gz CHXLAPXMNDZPMH-ZDUSSCGKSA-N 1 0 361.402 2.518 20 5 FFBDRO O=[N+]([O-])c1cc(F)cc(Nc2ccc(N3CC[NH+](CCO)CC3)cc2)c1 ZINC001216483630 1042039327 /nfs/dbraw/zinc/03/93/27/1042039327.db2.gz CESDMRLCQYEDFN-UHFFFAOYSA-N 1 0 360.389 2.592 20 5 FFBDRO CC(C)c1ccc(C(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)cc1[N+](=O)[O-] ZINC001263188391 1042158435 /nfs/dbraw/zinc/15/84/35/1042158435.db2.gz OXBSLSCAOYUWSN-OAHLLOKOSA-N 1 0 361.442 2.607 20 5 FFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC001263253540 1042200625 /nfs/dbraw/zinc/20/06/25/1042200625.db2.gz QEZDJFUNSDHUFY-FXAWDEMLSA-N 1 0 367.405 2.509 20 5 FFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC001263253543 1042200689 /nfs/dbraw/zinc/20/06/89/1042200689.db2.gz QEZDJFUNSDHUFY-YLJYHZDGSA-N 1 0 367.405 2.509 20 5 FFBDRO CC[NH+](CC)CC[C@H](C)NC(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC001264012757 1042581716 /nfs/dbraw/zinc/58/17/16/1042581716.db2.gz VYTMQNYBPCGQOM-ZDUSSCGKSA-N 1 0 365.430 2.606 20 5 FFBDRO O=C(NCCC[N@H+](Cc1ccc(Cl)cc1F)C1CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001265161328 1042845184 /nfs/dbraw/zinc/84/51/84/1042845184.db2.gz JWGRBEAQEVWVFC-GDBMZVCRSA-N 1 0 369.824 2.615 20 5 FFBDRO C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNc2ccc([N+](=O)[O-])cc2F)C1 ZINC000702164211 1042884573 /nfs/dbraw/zinc/88/45/73/1042884573.db2.gz TWSRJNFLWYDWFG-QGZVFWFLSA-N 1 0 358.417 2.962 20 5 FFBDRO Cc1ccc(F)cc1C[NH+]1CCC(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001319018805 1044986183 /nfs/dbraw/zinc/98/61/83/1044986183.db2.gz HDDKWMOGCQQTPX-QZTJIDSGSA-N 1 0 363.433 2.518 20 5 FFBDRO C[N@@H+]1CC[C@H](NC(=O)CNc2ccccc2[N+](=O)[O-])[C@H]1c1ccc(F)cc1 ZINC001319485173 1045167786 /nfs/dbraw/zinc/16/77/86/1045167786.db2.gz LVSGIQFSJCEXFZ-QFBILLFUSA-N 1 0 372.400 2.707 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCN1C(=O)COc2ccccc21 ZINC001319767613 1045266847 /nfs/dbraw/zinc/26/68/47/1045266847.db2.gz OXHHTXXAHHRSQR-CQSZACIVSA-N 1 0 355.394 2.979 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1CCC(Nc2ccccc2)CC1 ZINC001320152524 1045357492 /nfs/dbraw/zinc/35/74/92/1045357492.db2.gz DIOQDCLVLFXYSS-GOSISDBHSA-N 1 0 371.437 2.911 20 5 FFBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@@H](CO)CC1CCOCC1)C1CC1 ZINC001320863126 1045484414 /nfs/dbraw/zinc/48/44/14/1045484414.db2.gz NCPNGYDLMITYEV-QFBILLFUSA-N 1 0 362.470 2.931 20 5 FFBDRO O=[N+]([O-])c1cccc(-n2ccc(-c3nc([C@H]4C[NH+]5CCC4CC5)no3)n2)c1 ZINC001323914450 1045774194 /nfs/dbraw/zinc/77/41/94/1045774194.db2.gz ISUIDHWCHQLCCZ-HNNXBMFYSA-N 1 0 366.381 2.640 20 5 FFBDRO CC(C)(C)[NH2+]CC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC001321974255 1045898871 /nfs/dbraw/zinc/89/88/71/1045898871.db2.gz PTHBGRYAAXBNKO-UHFFFAOYSA-N 1 0 370.247 2.630 20 5 FFBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1ccc(C[NH+](C)C)cc1 ZINC001322246359 1046009009 /nfs/dbraw/zinc/00/90/09/1046009009.db2.gz PWXNWWUCBGBREX-UHFFFAOYSA-N 1 0 356.426 2.970 20 5 FFBDRO COC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC001322682732 1046179692 /nfs/dbraw/zinc/17/96/92/1046179692.db2.gz JXLRIZDDBQVUBE-CMPLNLGQSA-N 1 0 357.204 2.789 20 5 FFBDRO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC001331382377 1047904315 /nfs/dbraw/zinc/90/43/15/1047904315.db2.gz QFDRSMJIMVFEDV-UONOGXRCSA-N 1 0 372.347 2.650 20 5 FFBDRO CN(C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)C1(C[NH3+])CCCCC1 ZINC001332034366 1048220961 /nfs/dbraw/zinc/22/09/61/1048220961.db2.gz GWSOTVUYVZEQCU-UHFFFAOYSA-N 1 0 374.485 2.931 20 5 FFBDRO C[C@@]1(CO)C[C@@H](O)C[N@@H+]1Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001332718774 1048526176 /nfs/dbraw/zinc/52/61/76/1048526176.db2.gz USSKWYINLXSSGM-PXAZEXFGSA-N 1 0 366.801 2.826 20 5 FFBDRO C[C@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)CN(C)C(=O)OC(C)(C)C ZINC001329139663 1048593030 /nfs/dbraw/zinc/59/30/30/1048593030.db2.gz CASWOPQADYLHDV-CZUORRHYSA-N 1 0 367.446 2.721 20 5 FFBDRO C[N@@H+]1CC[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3Br)CC[C@H]21 ZINC001329881154 1048947245 /nfs/dbraw/zinc/94/72/45/1048947245.db2.gz USXCPUABKYBFMA-IINYFYTJSA-N 1 0 368.231 2.524 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)CCC(=O)c3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC001333927434 1049170547 /nfs/dbraw/zinc/17/05/47/1049170547.db2.gz CTABYLHMXDVRIA-YESZJQIVSA-N 1 0 373.453 2.746 20 5 FFBDRO O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC001292305670 1049261980 /nfs/dbraw/zinc/26/19/80/1049261980.db2.gz XJTARRGXYWDRBE-CQSZACIVSA-N 1 0 351.834 2.878 20 5 FFBDRO COc1ccc([C@H]2C[NH2+]CCN2C(=O)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC001330931248 1049397969 /nfs/dbraw/zinc/39/79/69/1049397969.db2.gz WGLVFZKAQJJGNZ-QGZVFWFLSA-N 1 0 359.357 2.529 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CC[NH2+][C@@H](c3ccc(O)cc3)C2)c2ncccc12 ZINC001307199324 1049985870 /nfs/dbraw/zinc/98/58/70/1049985870.db2.gz KVIMBRNKOVOSDZ-MRXNPFEDSA-N 1 0 350.378 3.000 20 5 FFBDRO CS[C@@H]1CN(C(=O)CCc2c(Cl)cccc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC001295851283 1049991658 /nfs/dbraw/zinc/99/16/58/1049991658.db2.gz FCWQFHDVSGCQFE-HUUCEWRRSA-N 1 0 371.890 2.685 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC001341709274 1050328652 /nfs/dbraw/zinc/32/86/52/1050328652.db2.gz KURGRWGFTWTCEY-VXGBXAGGSA-N 1 0 359.348 2.872 20 5 FFBDRO Cc1c(C(=O)N[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cccc1[N+](=O)[O-] ZINC001342231101 1050821005 /nfs/dbraw/zinc/82/10/05/1050821005.db2.gz FSUJWRXXGKKICK-JXFKEZNVSA-N 1 0 367.405 2.889 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC001342235331 1050825597 /nfs/dbraw/zinc/82/55/97/1050825597.db2.gz OVYPJNZAWSCKQG-FOIQADDNSA-N 1 0 367.405 2.889 20 5 FFBDRO CCN(C(=O)c1cc(F)cc([N+](=O)[O-])c1Br)[C@H]1CCC[NH2+]C1 ZINC001342280656 1050871713 /nfs/dbraw/zinc/87/17/13/1050871713.db2.gz ZJVBCIGVLBTIAU-JTQLQIEISA-N 1 0 374.210 2.711 20 5 FFBDRO O=[N+]([O-])c1ccc(C(F)(F)c2nc([C@@H]3C[NH+]4CCC3CC4)no2)cc1 ZINC001342549938 1051153672 /nfs/dbraw/zinc/15/36/72/1051153672.db2.gz NNVCJENAAKBRSO-CYBMUJFWSA-N 1 0 350.325 2.927 20 5 FFBDRO CCn1c(-c2ccc([N+](=O)[O-])o2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001340878163 1051210950 /nfs/dbraw/zinc/21/09/50/1051210950.db2.gz JDNPTKIWWSOKFH-CQSZACIVSA-N 1 0 374.445 2.778 20 5 FFBDRO CN(CCCC[NH+]1CCCCC1)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001303045634 1051263547 /nfs/dbraw/zinc/26/35/47/1051263547.db2.gz DRPHBLKAOQGUPT-UHFFFAOYSA-N 1 0 364.402 2.841 20 5 FFBDRO Nc1cc(CCCCNC(=O)CCc2cc(F)ccc2[N+](=O)[O-])cc[nH+]1 ZINC001306094525 1052016229 /nfs/dbraw/zinc/01/62/29/1052016229.db2.gz NPLAURDLCVDCLY-UHFFFAOYSA-N 1 0 360.389 2.783 20 5 FFBDRO C[C@@H]1CN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC[C@H]1C[NH3+] ZINC001345009146 1052196377 /nfs/dbraw/zinc/19/63/77/1052196377.db2.gz CMLABELJLKYRHX-CVEARBPZSA-N 1 0 363.461 2.598 20 5 FFBDRO C[C@@H]1CN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC[C@@H]1C[NH3+] ZINC001345009148 1052196610 /nfs/dbraw/zinc/19/66/10/1052196610.db2.gz CMLABELJLKYRHX-HZPDHXFCSA-N 1 0 363.461 2.598 20 5 FFBDRO CC(C)(NC(=O)[C@H]1CCN(c2cc[nH+]cc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC001306868425 1052205925 /nfs/dbraw/zinc/20/59/25/1052205925.db2.gz AFGQSJZGXROZRL-AWEZNQCLSA-N 1 0 354.410 2.868 20 5 FFBDRO O=C(CCc1cc(F)ccc1[N+](=O)[O-])NC[C@H]1[NH2+]CCc2ccccc21 ZINC001343488011 1052261911 /nfs/dbraw/zinc/26/19/11/1052261911.db2.gz TVQPYEHQQVHMIM-QGZVFWFLSA-N 1 0 357.385 2.670 20 5 FFBDRO C[NH2+]C1(CNc2c3cc([N+](=O)[O-])ccc3ncc2[N+](=O)[O-])CCCCC1 ZINC001307195092 1052265687 /nfs/dbraw/zinc/26/56/87/1052265687.db2.gz GJARVRTZCSKVOA-UHFFFAOYSA-N 1 0 359.386 2.807 20 5 FFBDRO [NH3+]C[C@@]12CC[C@H]1CCCN2C(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC001345344209 1052395159 /nfs/dbraw/zinc/39/51/59/1052395159.db2.gz AZZNREXXEOZDCF-PXAZEXFGSA-N 1 0 351.834 2.911 20 5 FFBDRO O=C(C[NH2+]CC1(C2(O)CCC2)CCC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001308067245 1052398445 /nfs/dbraw/zinc/39/84/45/1052398445.db2.gz ZXYVDPAGWMNDBE-UHFFFAOYSA-N 1 0 367.833 2.862 20 5 FFBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1CN1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC001308140010 1052415538 /nfs/dbraw/zinc/41/55/38/1052415538.db2.gz IXTRLTFLSGXLDB-GJZGRUSLSA-N 1 0 374.268 2.933 20 5 FFBDRO COCCN(CC1CC[NH+](C)CC1)C(=O)Nc1cc(C)cc([N+](=O)[O-])c1 ZINC001345489448 1052470636 /nfs/dbraw/zinc/47/06/36/1052470636.db2.gz RONNJGBGELDOFP-UHFFFAOYSA-N 1 0 364.446 2.725 20 5 FFBDRO C[C@H]([NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)c1nccc2ccccc21 ZINC001308931352 1052520699 /nfs/dbraw/zinc/52/06/99/1052520699.db2.gz QSQSYZSZQYQTBD-CYFNAFFESA-N 1 0 367.405 2.888 20 5 FFBDRO CC[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC001309172342 1052566910 /nfs/dbraw/zinc/56/69/10/1052566910.db2.gz BIZIWVOTPPLHGB-HNNXBMFYSA-N 1 0 369.487 2.754 20 5 FFBDRO Cn1ccnc1[C@@H](Cc1ccccc1)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001335413965 1053345919 /nfs/dbraw/zinc/34/59/19/1053345919.db2.gz UFSBUZCURSOZIP-MOPGFXCFSA-N 1 0 366.421 2.935 20 5 FFBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)C1 ZINC001347390463 1053926656 /nfs/dbraw/zinc/92/66/56/1053926656.db2.gz DWUIOQWBTSYGBD-JTQLQIEISA-N 1 0 355.826 2.684 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)c2nnc(-c3cccc([N+](=O)[O-])c3C)n2C)[C@@H](C)C1 ZINC001338153341 1055276727 /nfs/dbraw/zinc/27/67/27/1055276727.db2.gz LLWFCSMTEAHQMM-XJKSGUPXSA-N 1 0 372.473 2.865 20 5 FFBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000847253517 1055320908 /nfs/dbraw/zinc/32/09/08/1055320908.db2.gz GUJLENLJUISXIK-ZIAGYGMSSA-N 1 0 362.386 2.558 20 5 FFBDRO C[C@@](O)(C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1Cl ZINC001338505793 1055577407 /nfs/dbraw/zinc/57/74/07/1055577407.db2.gz LKWLCXXUVWWYMZ-IAGOWNOFSA-N 1 0 350.802 2.779 20 5 FFBDRO COCC[N@H+](C)CCCNc1ncnc2c(Cl)cc([N+](=O)[O-])cc12 ZINC001350433701 1055771586 /nfs/dbraw/zinc/77/15/86/1055771586.db2.gz PUVZCUAMPVZQTL-UHFFFAOYSA-N 1 0 353.810 2.572 20 5 FFBDRO O=C(CCCCC1CC[NH2+]CC1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001357561051 1055946761 /nfs/dbraw/zinc/94/67/61/1055946761.db2.gz SBLUEAAXRXPNOV-UHFFFAOYSA-N 1 0 363.462 2.515 20 5 FFBDRO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC001357629273 1055967874 /nfs/dbraw/zinc/96/78/74/1055967874.db2.gz HLJIBCJSXWMLEQ-RCCFBDPRSA-N 1 0 357.454 2.935 20 5 FFBDRO C[NH2+]CCN(C(=O)c1cc(F)cc([N+](=O)[O-])c1Br)C(C)C ZINC001358154661 1056165339 /nfs/dbraw/zinc/16/53/39/1056165339.db2.gz MLTAZJURMSFZRX-UHFFFAOYSA-N 1 0 362.199 2.566 20 5 FFBDRO CC1CCN(c2ccc(C(=O)NCCc3nccn3C)cc2[N+](=O)[O-])CC1 ZINC001353240893 1056219305 /nfs/dbraw/zinc/21/93/05/1056219305.db2.gz RDQJLMRKJGZBGO-UHFFFAOYSA-N 1 0 371.441 2.537 20 5 FFBDRO CN(Cc1ccccc1[N+](=O)[O-])c1nnc([C@H]2CCCN2C)n1CC1CC1 ZINC001351500949 1056294237 /nfs/dbraw/zinc/29/42/37/1056294237.db2.gz LKQONHZEJSPCCK-QGZVFWFLSA-N 1 0 370.457 2.999 20 5 FFBDRO CCn1c(C[N+](=O)[O-])nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001339454182 1056470197 /nfs/dbraw/zinc/47/01/97/1056470197.db2.gz HMXAWZDAEQQNGH-DOTOQJQBSA-N 1 0 372.473 2.564 20 5 FFBDRO CC(C)[N@@H+]1CC[C@H](C(=O)Oc2cccc([N+](=O)[O-])c2)[C@@H](c2cnn(C)c2)C1 ZINC000849487702 1056872768 /nfs/dbraw/zinc/87/27/68/1056872768.db2.gz FBLCPNPGHVWRPG-ZWKOTPCHSA-N 1 0 372.425 2.748 20 5 FFBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC001544801428 1071694096 /nfs/dbraw/zinc/69/40/96/1071694096.db2.gz SPAKQZFAUQTZLQ-LBPRGKRZSA-N 1 0 354.838 2.777 20 5 FFBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001544849915 1071702304 /nfs/dbraw/zinc/70/23/04/1071702304.db2.gz DKAVYJWYQFJBJV-AWEZNQCLSA-N 1 0 353.850 2.981 20 5 FFBDRO Nc1ncc(C(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)cc1[N+](=O)[O-] ZINC001443158067 1058184685 /nfs/dbraw/zinc/18/46/85/1058184685.db2.gz GTUIJAFTUZMVNG-INIZCTEOSA-N 1 0 369.425 2.529 20 5 FFBDRO Nc1ncc(C(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)cc1[N+](=O)[O-] ZINC001443158072 1058185035 /nfs/dbraw/zinc/18/50/35/1058185035.db2.gz GTUIJAFTUZMVNG-MRXNPFEDSA-N 1 0 369.425 2.529 20 5 FFBDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2N)C1 ZINC001445038640 1058361830 /nfs/dbraw/zinc/36/18/30/1058361830.db2.gz WJZUQIAZKKVJSJ-MRXNPFEDSA-N 1 0 354.410 2.524 20 5 FFBDRO C[C@H](COC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000847958186 1058519234 /nfs/dbraw/zinc/51/92/34/1058519234.db2.gz FJDMNUPLNVFWDI-CQSZACIVSA-N 1 0 358.398 2.812 20 5 FFBDRO CC[C@@H](C)[N@H+](C)CCn1c(C)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001545660248 1071827955 /nfs/dbraw/zinc/82/79/55/1071827955.db2.gz VPPJYFXJFNHIIM-CQSZACIVSA-N 1 0 372.473 2.788 20 5 FFBDRO C[NH+](C)CCONC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC001451416309 1059114017 /nfs/dbraw/zinc/11/40/17/1059114017.db2.gz KUEXKYJXYQMAEH-UHFFFAOYSA-N 1 0 361.423 2.969 20 5 FFBDRO C[C@]1(NC(=O)c2ccc([N+](=O)[O-])cc2N)CC[N@H+](Cc2ccccc2)C1 ZINC001452735223 1059288086 /nfs/dbraw/zinc/28/80/86/1059288086.db2.gz GBWUNBXUVDVSMJ-IBGZPJMESA-N 1 0 354.410 2.571 20 5 FFBDRO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)NC[C@@H]1C[NH2+]CCC1(F)F ZINC001354643449 1059304408 /nfs/dbraw/zinc/30/44/08/1059304408.db2.gz AQXRVQIWMODCJQ-NSHDSACASA-N 1 0 361.776 2.542 20 5 FFBDRO COc1cc(C(=O)N2C[C@@H](C[NH3+])Cc3cc(F)ccc32)ccc1[N+](=O)[O-] ZINC001354853544 1059565032 /nfs/dbraw/zinc/56/50/32/1059565032.db2.gz DNXJCFHKBNXCHI-LLVKDONJSA-N 1 0 359.357 2.520 20 5 FFBDRO O=C(NC[C@H]1CCC[NH2+]CC1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001515670675 1059741544 /nfs/dbraw/zinc/74/15/44/1059741544.db2.gz UTXTVKGNKMAREM-LBPRGKRZSA-N 1 0 360.439 2.838 20 5 FFBDRO CCC[N@H+](C)C[C@@H]1CCN(CN2CC[C@@H](c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000848481050 1060112709 /nfs/dbraw/zinc/11/27/09/1060112709.db2.gz VQNAJGRWCPLDFI-LPHOPBHVSA-N 1 0 374.485 2.532 20 5 FFBDRO CCC(C)(C)[NH+]1CCN(Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000848495994 1060161461 /nfs/dbraw/zinc/16/14/61/1060161461.db2.gz TTYMGEFTPDNEHN-UHFFFAOYSA-N 1 0 358.446 2.617 20 5 FFBDRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)OC ZINC001547424759 1071955262 /nfs/dbraw/zinc/95/52/62/1071955262.db2.gz SPPCIZRBEAMJHN-CYBMUJFWSA-N 1 0 362.434 2.581 20 5 FFBDRO CCCN(CC[NH+](CC)CC)c1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC001458306263 1060560798 /nfs/dbraw/zinc/56/07/98/1060560798.db2.gz KMQLGGBBXIUUPT-UHFFFAOYSA-N 1 0 352.435 2.643 20 5 FFBDRO CC[N@@H+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2[C@@H]2C[C@@H]2C)C[C@@H]1C ZINC001547710939 1071990853 /nfs/dbraw/zinc/99/08/53/1071990853.db2.gz QINNQVQIPAHICD-GRDNDAEWSA-N 1 0 370.457 2.965 20 5 FFBDRO CC[C@H](C)[C@@H]([NH2+]CC[N+](=O)[O-])C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001459852840 1060833548 /nfs/dbraw/zinc/83/35/48/1060833548.db2.gz ZQYGEZQLVXWSCX-QFBILLFUSA-N 1 0 361.486 2.749 20 5 FFBDRO CC(C)C1(O)CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC001460950548 1061162140 /nfs/dbraw/zinc/16/21/40/1061162140.db2.gz KPIOQSBTWMCZNP-UHFFFAOYSA-N 1 0 353.394 2.545 20 5 FFBDRO COc1ccc(C[NH2+]CCc2cccc(C(=O)N(C)C)c2)cc1[N+](=O)[O-] ZINC001461201387 1061247318 /nfs/dbraw/zinc/24/73/18/1061247318.db2.gz FJUBWPQWKPFAHZ-UHFFFAOYSA-N 1 0 357.410 2.638 20 5 FFBDRO CN(C)C(=O)[C@H]1CCC[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC001461214698 1061252982 /nfs/dbraw/zinc/25/29/82/1061252982.db2.gz FCJCBMOXIVCVOT-AAEUAGOBSA-N 1 0 371.384 2.933 20 5 FFBDRO CC[NH+](CC)CC[C@H](C)NS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC001475805055 1061286539 /nfs/dbraw/zinc/28/65/39/1061286539.db2.gz LRMRIPOBPCCZFS-AWEZNQCLSA-N 1 0 357.476 2.610 20 5 FFBDRO Cc1c(C[NH2+]C[C@@H](Cc2ccccc2Cl)C(N)=O)cccc1[N+](=O)[O-] ZINC001461400086 1061309503 /nfs/dbraw/zinc/30/95/03/1061309503.db2.gz QXHBFJGNTBNXPQ-OAHLLOKOSA-N 1 0 361.829 2.990 20 5 FFBDRO Cc1ccc(Sc2ccc(C[NH2+]C[C@H](O)[C@H](C)O)cc2[N+](=O)[O-])cc1 ZINC001461670189 1061372321 /nfs/dbraw/zinc/37/23/21/1061372321.db2.gz OYJLIIPRFLRAGM-GUYCJALGSA-N 1 0 362.451 2.886 20 5 FFBDRO O=C(COc1ccccc1[N+](=O)[O-])NC[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC001462244073 1061553604 /nfs/dbraw/zinc/55/36/04/1061553604.db2.gz NPSQZQWZGIKGDU-MRXNPFEDSA-N 1 0 361.442 2.887 20 5 FFBDRO COc1c(O)ccc(C[NH2+]C[C@@H](O)c2cc(F)c(F)c(F)c2)c1[N+](=O)[O-] ZINC001462462544 1061634770 /nfs/dbraw/zinc/63/47/70/1061634770.db2.gz JYWDMDYXPOUBKZ-CYBMUJFWSA-N 1 0 372.299 2.550 20 5 FFBDRO COc1c(O)ccc(C[NH2+]CC2(C(=O)OC(C)(C)C)CCC2)c1[N+](=O)[O-] ZINC001462471965 1061638458 /nfs/dbraw/zinc/63/84/58/1061638458.db2.gz NLZFADGAWCDIEH-UHFFFAOYSA-N 1 0 366.414 2.911 20 5 FFBDRO C[N@@H+]1CCCC[C@H]1CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001463224174 1062002416 /nfs/dbraw/zinc/00/24/16/1062002416.db2.gz SCNLOSGQLYTADA-AWEZNQCLSA-N 1 0 360.439 2.932 20 5 FFBDRO CC1=CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H](C)[NH+](C)C)C1 ZINC001492609438 1062143121 /nfs/dbraw/zinc/14/31/21/1062143121.db2.gz UPSGZSQNAHAJBC-OAHLLOKOSA-N 1 0 370.457 2.960 20 5 FFBDRO Cc1nnc(N(Cc2ccccc2[N+](=O)[O-])C2CC2)n1CC[NH+]1CCCC1 ZINC001492789358 1062216440 /nfs/dbraw/zinc/21/64/40/1062216440.db2.gz VPOUGJJHZPPSTQ-UHFFFAOYSA-N 1 0 370.457 2.760 20 5 FFBDRO Cc1cc(C)c(CNS(=O)(=O)c2ccc3ncccc3c2[N+](=O)[O-])cn1 ZINC001463877638 1062308570 /nfs/dbraw/zinc/30/85/70/1062308570.db2.gz UKVLNFWANMWXJB-UHFFFAOYSA-N 1 0 372.406 2.633 20 5 FFBDRO C[C@@H]1CC[N@H+](CCNC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC001479476665 1062454066 /nfs/dbraw/zinc/45/40/66/1062454066.db2.gz NAPCDZOZGWIFTF-WBVHZDCISA-N 1 0 360.458 2.826 20 5 FFBDRO O=C(N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1csc([N+](=O)[O-])c1 ZINC001523539071 1062511414 /nfs/dbraw/zinc/51/14/14/1062511414.db2.gz YMGJHLJSKDZJKK-CXAGYDPISA-N 1 0 359.407 2.642 20 5 FFBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)C1 ZINC001464548267 1062678213 /nfs/dbraw/zinc/67/82/13/1062678213.db2.gz XGNJHEXSMJHPAH-NSHDSACASA-N 1 0 354.838 2.681 20 5 FFBDRO CC(C)Oc1cc(C(=O)NCc2ccc3c[nH+]cn3c2)ccc1[N+](=O)[O-] ZINC001524865168 1063026141 /nfs/dbraw/zinc/02/61/41/1063026141.db2.gz AIIVITKTMFJOTA-UHFFFAOYSA-N 1 0 354.366 2.960 20 5 FFBDRO CC1(C)CN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CCC[NH2+]1 ZINC001466070040 1063317395 /nfs/dbraw/zinc/31/73/95/1063317395.db2.gz KXBGYJMBFVXCSA-UHFFFAOYSA-N 1 0 371.235 2.963 20 5 FFBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)N[C@@H]3C[C@@H]4CCC[C@H]34)c2)CC1 ZINC001467374291 1063727040 /nfs/dbraw/zinc/72/70/40/1063727040.db2.gz YSBGJVFSXXPZED-CWRNSKLLSA-N 1 0 373.457 2.657 20 5 FFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001471030877 1064530400 /nfs/dbraw/zinc/53/04/00/1064530400.db2.gz OBGMUKUVZNQCOQ-GDBMZVCRSA-N 1 0 368.437 2.675 20 5 FFBDRO CC(C)[C@H]([NH3+])Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H]2CCC[C@@H]21 ZINC001575458235 1078142439 /nfs/dbraw/zinc/14/24/39/1078142439.db2.gz CWRPFTILWFVOOD-OIISXLGYSA-N 1 0 370.457 2.825 20 5 FFBDRO CC(C)[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001472330772 1065019780 /nfs/dbraw/zinc/01/97/80/1065019780.db2.gz KTRNDBIGKIBJNZ-SJORKVTESA-N 1 0 363.433 2.998 20 5 FFBDRO CN(C)c1nc2c(s1)C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)CC2 ZINC001473763712 1065350629 /nfs/dbraw/zinc/35/06/29/1065350629.db2.gz BJGAGEKELGOTOM-UHFFFAOYSA-N 1 0 362.455 2.945 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1Cc2c[nH]nc2C[C@H](C)C1 ZINC001473797168 1065365634 /nfs/dbraw/zinc/36/56/34/1065365634.db2.gz NXYJMITYFBBGEB-LBPRGKRZSA-N 1 0 357.414 2.649 20 5 FFBDRO O=C1C[C@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CN1CC1CC1 ZINC001474248739 1065478271 /nfs/dbraw/zinc/47/82/71/1065478271.db2.gz PBNKGXSNTWRPAU-HNNXBMFYSA-N 1 0 355.394 2.955 20 5 FFBDRO COc1ccc(C[NH2+]CC2(NC(=O)OC(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC001474282301 1065483673 /nfs/dbraw/zinc/48/36/73/1065483673.db2.gz SUCMORCSZPEDNR-UHFFFAOYSA-N 1 0 351.403 2.750 20 5 FFBDRO Cc1cc(S(=O)(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)c(F)cc1[N+](=O)[O-] ZINC001475024047 1065677169 /nfs/dbraw/zinc/67/71/69/1065677169.db2.gz ZVBGSJMGWKZQTN-ZDUSSCGKSA-N 1 0 373.450 2.537 20 5 FFBDRO CCc1cc(NC(=O)[C@@H]2CC[C@@H](C3CC3)[NH2+]2)c2cc([N+](=O)[O-])ccc2n1 ZINC001578247842 1078454810 /nfs/dbraw/zinc/45/48/10/1078454810.db2.gz BCCNYGQDZUNYPC-RDJZCZTQSA-N 1 0 354.410 2.596 20 5 FFBDRO CN(CC1CCC1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCC[NH2+]1 ZINC001578450362 1078474938 /nfs/dbraw/zinc/47/49/38/1078474938.db2.gz MDKCUUSQHVCLLD-MRXNPFEDSA-N 1 0 370.457 2.842 20 5 FFBDRO CN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC(C)(C)[NH3+])[C@H]1[C@@H]2CCC[C@@H]21 ZINC001578508776 1078486129 /nfs/dbraw/zinc/48/61/29/1078486129.db2.gz NEICLXONMHFEKK-ZSHCYNCHSA-N 1 0 370.457 2.825 20 5 FFBDRO C[NH2+]CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C)CC[C@H]1C ZINC001578720848 1078522825 /nfs/dbraw/zinc/52/28/25/1078522825.db2.gz KCLSNQGJVARPPO-ZIAGYGMSSA-N 1 0 358.446 2.698 20 5 FFBDRO C[C@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)C1CC[NH2+]CC1 ZINC001579485523 1078635668 /nfs/dbraw/zinc/63/56/68/1078635668.db2.gz VXKAKJHCJDHEMG-VIFPVBQESA-N 1 0 358.345 2.706 20 5 FFBDRO [NH3+][C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2Cl)CC[C@@H]1C(F)(F)F ZINC001580208405 1078766233 /nfs/dbraw/zinc/76/62/33/1078766233.db2.gz RDKXVCLBPJUGKK-DTWKUNHWSA-N 1 0 351.712 2.600 20 5 FFBDRO [NH3+]C[C@@]12CC[C@H]1CCCN2C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC001580250198 1078774074 /nfs/dbraw/zinc/77/40/74/1078774074.db2.gz HMNREIGLADQXOG-WBMJQRKESA-N 1 0 352.822 2.661 20 5 FFBDRO [NH3+]Cc1ccccc1CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC001580347557 1078789663 /nfs/dbraw/zinc/78/96/63/1078789663.db2.gz CZHIGWDRURVJKD-UHFFFAOYSA-N 1 0 351.309 2.585 20 5 FFBDRO O=C(NC[C@H]1Cc2ccccc2C[NH2+]1)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC001580672006 1078845579 /nfs/dbraw/zinc/84/55/79/1078845579.db2.gz YXWXKRUVRIXYFJ-CQSZACIVSA-N 1 0 350.378 2.520 20 5 FFBDRO O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)c[nH]1)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC001580794316 1078863338 /nfs/dbraw/zinc/86/33/38/1078863338.db2.gz XNBWNTJFPZQZPH-LSDHHAIUSA-N 1 0 355.398 2.559 20 5 FFBDRO C[NH+](C)[C@@H]1C[C@@H](NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C12CCC2 ZINC001557698917 1075875691 /nfs/dbraw/zinc/87/56/91/1075875691.db2.gz YJVVVTWHOUDPPP-IAGOWNOFSA-N 1 0 359.426 2.547 20 5 FFBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)Nc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC001559080731 1076123709 /nfs/dbraw/zinc/12/37/09/1076123709.db2.gz SFLVBJFRNGERJM-KGLIPLIRSA-N 1 0 358.442 2.979 20 5 FFBDRO CCc1cc(N2CC[C@H]3C[N@H+](C)C[C@@H]32)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001559200003 1076133944 /nfs/dbraw/zinc/13/39/44/1076133944.db2.gz JGYRDIFVZMNFSN-YOEHRIQHSA-N 1 0 353.426 2.755 20 5 FFBDRO C[N@@H+]1CC[C@H]2CN(c3c4cc([N+](=O)[O-])ccc4ncc3[N+](=O)[O-])CC[C@@H]21 ZINC001559259891 1076140843 /nfs/dbraw/zinc/14/08/43/1076140843.db2.gz PXGCUOFWFBYLTH-NHYWBVRUSA-N 1 0 357.370 2.582 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+](CCCO)[C@H]1CCCc2ccccc21 ZINC001559573188 1076174431 /nfs/dbraw/zinc/17/44/31/1076174431.db2.gz YWAKTLLSQMPSFH-SFHVURJKSA-N 1 0 358.442 2.862 20 5 FFBDRO C[C@H]1COCC[C@@H]1[NH2+]Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001559746901 1076187773 /nfs/dbraw/zinc/18/77/73/1076187773.db2.gz NAEHVJLIQMCLTN-CABZTGNLSA-N 1 0 352.778 2.813 20 5 FFBDRO COc1ccc(OCCN2CC[N@H+](C3CCCC3)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC001560144986 1076235217 /nfs/dbraw/zinc/23/52/17/1076235217.db2.gz VZLPJXAZKFDTNE-OAHLLOKOSA-N 1 0 363.458 2.931 20 5 FFBDRO O=[N+]([O-])c1cccc(Br)c1C[NH2+][C@H]1CCc2c[nH]nc2C1 ZINC001560397783 1076270695 /nfs/dbraw/zinc/27/06/95/1076270695.db2.gz MNRINOCYIIMXOP-JTQLQIEISA-N 1 0 351.204 2.728 20 5 FFBDRO Cc1ccc(C[NH2+]CCC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1C ZINC001568084919 1077070504 /nfs/dbraw/zinc/07/05/04/1077070504.db2.gz IVAZWDVCCGFGEG-RTBURBONSA-N 1 0 359.470 2.687 20 5 FFBDRO C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001590164677 1081063450 /nfs/dbraw/zinc/06/34/50/1081063450.db2.gz GSTNLWMTUYNFGI-GZMMTYOYSA-N 1 0 356.308 2.548 20 5 FFBDRO C[C@H]1CCC[N@H+](CCCCNc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC001590261445 1081128739 /nfs/dbraw/zinc/12/87/39/1081128739.db2.gz WJDZZEBGVHIERW-ZDUSSCGKSA-N 1 0 359.434 2.699 20 5 FFBDRO Cc1cccc(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)c1[N+](=O)[O-] ZINC000093191485 250020578 /nfs/dbraw/zinc/02/05/78/250020578.db2.gz JYFTUGQWHIRYQA-UHFFFAOYSA-N 1 0 354.410 2.945 20 5 FFBDRO CN(CC1CC[NH+](C)CC1)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000103453857 250150936 /nfs/dbraw/zinc/15/09/36/250150936.db2.gz XSBPBMFPULAPKJ-UHFFFAOYSA-N 1 0 374.485 2.611 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2cnc(CCN3CC[NH+](CC4CC4)CC3)o2)c1 ZINC000104675277 250182998 /nfs/dbraw/zinc/18/29/98/250182998.db2.gz AHVQCCBLNGWUJG-UHFFFAOYSA-N 1 0 356.426 2.820 20 5 FFBDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000155374585 251153372 /nfs/dbraw/zinc/15/33/72/251153372.db2.gz ZCUMBPWORHGEFQ-HNNXBMFYSA-N 1 0 368.437 2.874 20 5 FFBDRO Cc1ccc(NCCCNC(=O)C2CC[NH+](C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000192589811 251292007 /nfs/dbraw/zinc/29/20/07/251292007.db2.gz LQKVFJBOKZDGEF-UHFFFAOYSA-N 1 0 360.458 2.696 20 5 FFBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000270933112 251664389 /nfs/dbraw/zinc/66/43/89/251664389.db2.gz LZURLSKJUSSRSG-GFCCVEGCSA-N 1 0 372.425 2.651 20 5 FFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCc2nc(C)nn2C1 ZINC000271175322 251723027 /nfs/dbraw/zinc/72/30/27/251723027.db2.gz UZSCUQFFGJSFOX-ZIAGYGMSSA-N 1 0 361.471 2.970 20 5 FFBDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000272335437 252012949 /nfs/dbraw/zinc/01/29/49/252012949.db2.gz WEAIQOCTZNUEQJ-MNOVXSKESA-N 1 0 374.363 2.611 20 5 FFBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000272200141 251978945 /nfs/dbraw/zinc/97/89/45/251978945.db2.gz PHJFQNWQPRINFM-AWEZNQCLSA-N 1 0 371.441 2.583 20 5 FFBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1 ZINC000272299451 252005460 /nfs/dbraw/zinc/00/54/60/252005460.db2.gz GNHINVAVFAUJJI-CYBMUJFWSA-N 1 0 355.385 2.877 20 5 FFBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000272390008 252025939 /nfs/dbraw/zinc/02/59/39/252025939.db2.gz UEUGYHGFTCBHCK-LBPRGKRZSA-N 1 0 363.443 2.546 20 5 FFBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)NCCc3ccc(Cl)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000272474559 252047553 /nfs/dbraw/zinc/04/75/53/252047553.db2.gz IRGQZQWHUKLYML-CZUORRHYSA-N 1 0 366.849 2.526 20 5 FFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC1(C)CC[NH+](C)CC1 ZINC000272533228 252061323 /nfs/dbraw/zinc/06/13/23/252061323.db2.gz NJSDABBMRIVOEY-ZDUSSCGKSA-N 1 0 351.472 2.924 20 5 FFBDRO CC(C)[NH+]1CCC(N(C)C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CC1 ZINC000272537300 252063202 /nfs/dbraw/zinc/06/32/02/252063202.db2.gz NFDLHYAPJLGSCY-UHFFFAOYSA-N 1 0 363.443 2.544 20 5 FFBDRO COc1cc(CN2CC[C@@H]3CC[N@H+](C)C[C@H]32)c([N+](=O)[O-])cc1OC(F)F ZINC000272634394 252086097 /nfs/dbraw/zinc/08/60/97/252086097.db2.gz NOMHMQKGRILEIG-SMDDNHRTSA-N 1 0 371.384 2.731 20 5 FFBDRO C[C@]1([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCO[C@H]1C1CC1 ZINC000273090943 252213006 /nfs/dbraw/zinc/21/30/06/252213006.db2.gz SPBSTJDUYVGYTK-HOTGVXAUSA-N 1 0 353.806 2.734 20 5 FFBDRO C[C@@H](CCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000273150290 252233191 /nfs/dbraw/zinc/23/31/91/252233191.db2.gz LVEVEIPBDXZEKS-ZDUSSCGKSA-N 1 0 355.460 2.675 20 5 FFBDRO COCC[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(C)o1 ZINC000273283434 252272774 /nfs/dbraw/zinc/27/27/74/252272774.db2.gz LIKLSDBOCMJIIJ-RDJZCZTQSA-N 1 0 364.398 2.603 20 5 FFBDRO CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c(C)s2)C[C@@H]1[NH+]1CCCC1 ZINC000273490607 252315769 /nfs/dbraw/zinc/31/57/69/252315769.db2.gz KONYRQAVZZRYEZ-JSGCOSHPSA-N 1 0 355.485 2.617 20 5 FFBDRO CS[C@@H]1CN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@H]1[NH+]1CCCC1 ZINC000273526900 252324837 /nfs/dbraw/zinc/32/48/37/252324837.db2.gz QKNBYHSUWVVQOJ-IAGOWNOFSA-N 1 0 374.466 2.728 20 5 FFBDRO C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@@H](CO)c1ccccc1 ZINC000275450056 256008356 /nfs/dbraw/zinc/00/83/56/256008356.db2.gz ILJJFFKBCDRWJV-KRWDZBQOSA-N 1 0 361.373 2.728 20 5 FFBDRO CS[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1[NH+]1CCCC1 ZINC000275703306 256040271 /nfs/dbraw/zinc/04/02/71/256040271.db2.gz JSUVFDOGGPGLNC-HUUCEWRRSA-N 1 0 350.444 2.638 20 5 FFBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000277184621 256169150 /nfs/dbraw/zinc/16/91/50/256169150.db2.gz LMHOWJBBAJUVKQ-CHWSQXEVSA-N 1 0 368.865 2.991 20 5 FFBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC[C@H]([NH+](C)C)CC1 ZINC000277184637 256169313 /nfs/dbraw/zinc/16/93/13/256169313.db2.gz LMHOWJBBAJUVKQ-OLZOCXBDSA-N 1 0 368.865 2.991 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])c(N2CCC[C@@H]([NH+](C)C)CC2)cc1Cl ZINC000276958462 256146435 /nfs/dbraw/zinc/14/64/35/256146435.db2.gz CMTJTOSQGUWDGD-LLVKDONJSA-N 1 0 355.822 2.955 20 5 FFBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)CC1 ZINC000277335614 256186114 /nfs/dbraw/zinc/18/61/14/256186114.db2.gz ATAFIRUTCKWFRU-WMLDXEAASA-N 1 0 360.458 2.559 20 5 FFBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000277645601 256221363 /nfs/dbraw/zinc/22/13/63/256221363.db2.gz SEOJFBZXAXPZQJ-QJPKHSJYSA-N 1 0 361.442 2.615 20 5 FFBDRO Cc1cc(N2CCC(C)(C)S(=O)(=O)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000278453273 256314455 /nfs/dbraw/zinc/31/44/55/256314455.db2.gz LSCVWDVELMHUCY-UHFFFAOYSA-N 1 0 363.439 2.855 20 5 FFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)c1 ZINC000278534314 256322466 /nfs/dbraw/zinc/32/24/66/256322466.db2.gz NPOBTWWYQYCSFZ-ZDUSSCGKSA-N 1 0 367.471 2.547 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H](NC1CC[NH+]([C@@H]3CCC[C@H]3O)CC1)CCC2 ZINC000278688338 256338554 /nfs/dbraw/zinc/33/85/54/256338554.db2.gz KFRIXKDTCKGTKL-VAMGGRTRSA-N 1 0 359.470 2.940 20 5 FFBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NCC1CC[NH+](C2CC2)CC1 ZINC000280613109 256541548 /nfs/dbraw/zinc/54/15/48/256541548.db2.gz ZFCOHNYEBXLZQT-UHFFFAOYSA-N 1 0 369.824 2.920 20 5 FFBDRO Cc1nn(C)c(N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1[N+](=O)[O-] ZINC000286260969 257028135 /nfs/dbraw/zinc/02/81/35/257028135.db2.gz GQKYKSJGPCETBL-IBGZPJMESA-N 1 0 355.442 2.739 20 5 FFBDRO Cc1nn(C)c(NCc2ccc(OC3CC[NH+](C)CC3)cc2)c1[N+](=O)[O-] ZINC000286543202 257042089 /nfs/dbraw/zinc/04/20/89/257042089.db2.gz SZMMOPSPLVKTOF-UHFFFAOYSA-N 1 0 359.430 2.722 20 5 FFBDRO CO[C@@H]1[C@H]2C[C@H]3C[N@H+](CCC(=O)Nc4cc([N+](=O)[O-])ccc4C)[C@H]1[C@H]3C2 ZINC000286545350 257042101 /nfs/dbraw/zinc/04/21/01/257042101.db2.gz OJFDDEJIYMADJC-RSADAIHESA-N 1 0 359.426 2.587 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(CN2CCC(OCC[NH+]3CCCC3)CC2)c(F)c1 ZINC000286542074 257042184 /nfs/dbraw/zinc/04/21/84/257042184.db2.gz UIYJFLADJNYQOH-UHFFFAOYSA-N 1 0 369.412 2.950 20 5 FFBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000286896243 257060552 /nfs/dbraw/zinc/06/05/52/257060552.db2.gz LLISFIILXVLSJY-XJKSGUPXSA-N 1 0 357.414 2.703 20 5 FFBDRO C[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C1CCC(F)(F)CC1 ZINC000287130725 257073644 /nfs/dbraw/zinc/07/36/44/257073644.db2.gz ZWOIZSWNJFRFEW-UHFFFAOYSA-N 1 0 371.340 2.772 20 5 FFBDRO CCc1nn(C)c(NC2CC[NH+]([C@H](C)c3ccncc3)CC2)c1[N+](=O)[O-] ZINC000288852768 257232398 /nfs/dbraw/zinc/23/23/98/257232398.db2.gz KOGWZFXKZYXXMK-CYBMUJFWSA-N 1 0 358.446 2.923 20 5 FFBDRO [NH3+][C@H]1CCc2nc(NC(=O)c3cccc(Cl)c3[N+](=O)[O-])sc2C1 ZINC000288498027 257196797 /nfs/dbraw/zinc/19/67/97/257196797.db2.gz BCDLRQWPJPROPG-ZETCQYMHSA-N 1 0 352.803 2.773 20 5 FFBDRO O=C(CC[N@@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1)Nc1ccccc1[N+](=O)[O-] ZINC000289419089 257280060 /nfs/dbraw/zinc/28/00/60/257280060.db2.gz BSYLRKKCMAFFKJ-AEFFLSMTSA-N 1 0 359.426 2.957 20 5 FFBDRO CCCN(CC[NH+]1CCCC1)C(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000289677685 257293643 /nfs/dbraw/zinc/29/36/43/257293643.db2.gz MUPCANFQAUIAKC-UHFFFAOYSA-N 1 0 365.430 2.560 20 5 FFBDRO Cc1nn(-c2ccccn2)c(C)c1CN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000289947165 257308183 /nfs/dbraw/zinc/30/81/83/257308183.db2.gz XPUKIYVNZKGVDG-UHFFFAOYSA-N 1 0 366.425 2.758 20 5 FFBDRO CCC[C@]1(CO)CC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000290266984 257322756 /nfs/dbraw/zinc/32/27/56/257322756.db2.gz XJHPFXBRTDTOMF-IBGZPJMESA-N 1 0 358.442 2.980 20 5 FFBDRO CS(=O)(=O)c1ccc(NCCCCC[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000292786824 257516168 /nfs/dbraw/zinc/51/61/68/257516168.db2.gz MFMUVWPHRANRKK-UHFFFAOYSA-N 1 0 355.460 2.676 20 5 FFBDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293601849 257553678 /nfs/dbraw/zinc/55/36/78/257553678.db2.gz VBXMPEWWCOEUHF-ZIAGYGMSSA-N 1 0 357.332 2.970 20 5 FFBDRO COc1cc(C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)c([N+](=O)[O-])cc1F ZINC000294832856 257604792 /nfs/dbraw/zinc/60/47/92/257604792.db2.gz FEIYBDJEKQBUSZ-ZDUSSCGKSA-N 1 0 365.405 2.691 20 5 FFBDRO C[C@@H](NCc1ccncc1OCCC[NH+](C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294447627 257588196 /nfs/dbraw/zinc/58/81/96/257588196.db2.gz VMBZERHSGVBKMQ-CQSZACIVSA-N 1 0 373.457 2.753 20 5 FFBDRO CC[NH+]1CCN(c2ccc(CNc3cccc(F)c3[N+](=O)[O-])cn2)CC1 ZINC000301089494 258024556 /nfs/dbraw/zinc/02/45/56/258024556.db2.gz KULYLVMHBFUHOJ-UHFFFAOYSA-N 1 0 359.405 2.883 20 5 FFBDRO COCC[NH+]1CCC(Nc2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000301130655 258028015 /nfs/dbraw/zinc/02/80/15/258028015.db2.gz YAJVIZMYDOVUJZ-UHFFFAOYSA-N 1 0 371.441 2.883 20 5 FFBDRO C[N@@H+]1CCCC[C@H]1CN1CCN(c2ccc([N+](=O)[O-])c3cccnc32)CC1 ZINC000301185885 258032654 /nfs/dbraw/zinc/03/26/54/258032654.db2.gz JYWIDCQDMZQXKQ-INIZCTEOSA-N 1 0 369.469 2.749 20 5 FFBDRO Cc1nn(C)c(NCC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)c1[N+](=O)[O-] ZINC000301273364 258038826 /nfs/dbraw/zinc/03/88/26/258038826.db2.gz KIYHTJOKJLUMLQ-AWEZNQCLSA-N 1 0 373.457 2.949 20 5 FFBDRO CC(=O)c1ccc(Sc2nnc([C@H]3CCC[NH2+]C3)n2C)c([N+](=O)[O-])c1 ZINC000301293358 258040567 /nfs/dbraw/zinc/04/05/67/258040567.db2.gz QJNPCFFQPFZYLH-LBPRGKRZSA-N 1 0 361.427 2.544 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCOCC12CCCC2 ZINC000299680551 258016565 /nfs/dbraw/zinc/01/65/65/258016565.db2.gz MYXHGNRONPQQOA-UHFFFAOYSA-N 1 0 363.414 2.577 20 5 FFBDRO C[NH+](C)CC1(CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CCCC1 ZINC000302137052 258090541 /nfs/dbraw/zinc/09/05/41/258090541.db2.gz BSHHGIPOQLPXPU-UHFFFAOYSA-N 1 0 355.460 2.532 20 5 FFBDRO COc1cccc([C@H]2[C@@H](Nc3ncc([N+](=O)[O-])cn3)CC[N@@H+]2C2CC2)c1 ZINC000302236937 258097064 /nfs/dbraw/zinc/09/70/64/258097064.db2.gz WAFGPRSILACMEN-IRXDYDNUSA-N 1 0 355.398 2.783 20 5 FFBDRO C[C@H]1CCC[C@](CNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)([NH+](C)C)C1 ZINC000302632115 258107095 /nfs/dbraw/zinc/10/70/95/258107095.db2.gz JLKSGGMQSTYZBH-GUYCJALGSA-N 1 0 369.487 2.921 20 5 FFBDRO Cn1c(Sc2ccc(Cl)cc2[N+](=O)[O-])nnc1[C@H]1CCC[NH2+]C1 ZINC000302755806 258109646 /nfs/dbraw/zinc/10/96/46/258109646.db2.gz IPLKCPDCEWPQCI-VIFPVBQESA-N 1 0 353.835 2.995 20 5 FFBDRO Cc1cnc(NCCN2CC[NH+](Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000301423410 258048963 /nfs/dbraw/zinc/04/89/63/258048963.db2.gz FWTGOUVBGAAPOS-UHFFFAOYSA-N 1 0 355.442 2.528 20 5 FFBDRO Cc1nc(Sc2nnc([C@@H]3CCC[NH2+]C3)n2C2CC2)ccc1[N+](=O)[O-] ZINC000301667792 258062467 /nfs/dbraw/zinc/06/24/67/258062467.db2.gz PBWBCDXQYYSVHL-LLVKDONJSA-N 1 0 360.443 2.843 20 5 FFBDRO O=[N+]([O-])c1cnc(NC[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)c(Cl)c1 ZINC000301875634 258072067 /nfs/dbraw/zinc/07/20/67/258072067.db2.gz MOLBNUYVIDEWEC-DZGCQCFKSA-N 1 0 362.817 2.691 20 5 FFBDRO CC1CC[NH+](CCCNc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000301908969 258074569 /nfs/dbraw/zinc/07/45/69/258074569.db2.gz RQDLZSWIFSFRPD-UHFFFAOYSA-N 1 0 355.460 2.532 20 5 FFBDRO CCC[NH+]1CCC(CNS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])CC1 ZINC000330412417 258163620 /nfs/dbraw/zinc/16/36/20/258163620.db2.gz LZHIHBBVVMLDAX-UHFFFAOYSA-N 1 0 369.487 2.612 20 5 FFBDRO CC[NH+]1C[C@@H](C)N(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000331338420 258182702 /nfs/dbraw/zinc/18/27/02/258182702.db2.gz JLLUXJGXZKSLPI-VXGBXAGGSA-N 1 0 354.838 2.601 20 5 FFBDRO CS[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1[NH+]1CCCC1 ZINC000332071459 258212724 /nfs/dbraw/zinc/21/27/24/258212724.db2.gz CIQDZRTUEVQHLS-GJZGRUSLSA-N 1 0 369.874 2.900 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N3CCC[C@@H]([NH+](C)C)C3)cc2[N+](=O)[O-])C1 ZINC000332378581 258227924 /nfs/dbraw/zinc/22/79/24/258227924.db2.gz NTTVVAQSTIAELO-NVXWUHKLSA-N 1 0 374.485 2.997 20 5 FFBDRO COc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]2)[NH+]2CCCCC2)cc1 ZINC000052950512 506283027 /nfs/dbraw/zinc/28/30/27/506283027.db2.gz UCILXUYDXOMYQD-SFHVURJKSA-N 1 0 372.425 2.889 20 5 FFBDRO Cc1noc(C)c1CO[C@@H]1CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000375157675 512187785 /nfs/dbraw/zinc/18/77/85/512187785.db2.gz GMNNRWBARAKSMD-SJLPKXTDSA-N 1 0 361.398 2.524 20 5 FFBDRO CC[NH+](CC)CCN(CC(C)C)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000066000358 506409091 /nfs/dbraw/zinc/40/90/91/506409091.db2.gz LSZIGHCBFZZYIW-UHFFFAOYSA-N 1 0 363.505 2.645 20 5 FFBDRO COc1cc(OCC(=O)Nc2cccc(C[NH+](C)C)c2)ccc1[N+](=O)[O-] ZINC000066021649 506411126 /nfs/dbraw/zinc/41/11/26/506411126.db2.gz DLCLPGYSQXMMJV-UHFFFAOYSA-N 1 0 359.382 2.683 20 5 FFBDRO C[NH+](C)CCN(Cc1ccccc1)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000054645425 506594454 /nfs/dbraw/zinc/59/44/54/506594454.db2.gz QRSIJXPYAGWQQE-UHFFFAOYSA-N 1 0 370.453 2.911 20 5 FFBDRO CC(C)[NH+]1CCC(N(C)C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000067034082 506732435 /nfs/dbraw/zinc/73/24/35/506732435.db2.gz CPRKPDRKHDVWOM-UHFFFAOYSA-N 1 0 371.441 2.725 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000067538472 506916163 /nfs/dbraw/zinc/91/61/63/506916163.db2.gz HEQNBGTWOXACIM-OAHLLOKOSA-N 1 0 355.394 2.608 20 5 FFBDRO COc1ccc(CC(=O)NCCC[N@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000067794983 507010802 /nfs/dbraw/zinc/01/08/02/507010802.db2.gz FRNMUTBORHHECO-UHFFFAOYSA-N 1 0 371.437 2.784 20 5 FFBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CCN(c3cnn(C)c3)C2)cc1[N+](=O)[O-] ZINC000371313972 512323586 /nfs/dbraw/zinc/32/35/86/512323586.db2.gz PJYIRYOAXSKZCH-ZFWWWQNUSA-N 1 0 359.430 2.657 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC[NH+]1CCC(C)CC1 ZINC000068353228 507198641 /nfs/dbraw/zinc/19/86/41/507198641.db2.gz VHMNHHUTRVNLFI-ZDUSSCGKSA-N 1 0 369.849 2.864 20 5 FFBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000069124884 507414840 /nfs/dbraw/zinc/41/48/40/507414840.db2.gz ILGRQRBKMDXRIW-HNNXBMFYSA-N 1 0 367.471 2.542 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000058561588 507436391 /nfs/dbraw/zinc/43/63/91/507436391.db2.gz UCJPNZBUNYVRIP-UHFFFAOYSA-N 1 0 369.487 2.836 20 5 FFBDRO O=[N+]([O-])c1c2cccnc2ccc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000069797781 507560797 /nfs/dbraw/zinc/56/07/97/507560797.db2.gz KQGJYRVOGOJLCG-HNNXBMFYSA-N 1 0 356.426 2.692 20 5 FFBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N1CCC([NH+]2CCCCC2)CC1 ZINC000050009241 507650832 /nfs/dbraw/zinc/65/08/32/507650832.db2.gz IUBCAWYOZVNLEW-UHFFFAOYSA-N 1 0 360.458 2.874 20 5 FFBDRO CNc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000071014311 507679731 /nfs/dbraw/zinc/67/97/31/507679731.db2.gz JLBLTSLOUUKGRK-MRXNPFEDSA-N 1 0 354.410 2.641 20 5 FFBDRO COc1ccc(C[N@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1C ZINC000071959597 507730141 /nfs/dbraw/zinc/73/01/41/507730141.db2.gz WYRVPTZTTRAKTR-KRWDZBQOSA-N 1 0 360.410 2.784 20 5 FFBDRO CCOCCCNC(=O)C1CC[NH+](Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000051738960 507782779 /nfs/dbraw/zinc/78/27/79/507782779.db2.gz JHGITTBTFYQAHZ-UHFFFAOYSA-N 1 0 363.458 2.658 20 5 FFBDRO Cc1ccc([C@H](CNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000064114218 507784877 /nfs/dbraw/zinc/78/48/77/507784877.db2.gz PQXGCMDSEZMQHR-SFHVURJKSA-N 1 0 367.409 2.855 20 5 FFBDRO COc1cc(C(=O)Nc2ccc(C[NH+](C)C)cc2)c([N+](=O)[O-])cc1OC ZINC000029951983 507797471 /nfs/dbraw/zinc/79/74/71/507797471.db2.gz LLYCWMXEDDVUAW-UHFFFAOYSA-N 1 0 359.382 2.926 20 5 FFBDRO Cc1cnn(CCCCC[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000072665106 507840023 /nfs/dbraw/zinc/84/00/23/507840023.db2.gz GWRQZEACZPGBLE-INIZCTEOSA-N 1 0 358.446 2.851 20 5 FFBDRO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)c3cc([N+](=O)[O-])c[nH]3)cc2)C1 ZINC000072932659 507873913 /nfs/dbraw/zinc/87/39/13/507873913.db2.gz PVNXQBYEKJDGDI-CYBMUJFWSA-N 1 0 358.398 2.896 20 5 FFBDRO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000108505983 507899691 /nfs/dbraw/zinc/89/96/91/507899691.db2.gz ITIAGLHGQUUXEY-LLVKDONJSA-N 1 0 370.356 2.802 20 5 FFBDRO O=C(COc1ccccc1[N+](=O)[O-])N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000073842881 507960790 /nfs/dbraw/zinc/96/07/90/507960790.db2.gz ZPKQVKVQTUEMBG-QGZVFWFLSA-N 1 0 369.421 2.754 20 5 FFBDRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)c3ccc(N)c([N+](=O)[O-])c3)C2)CC1 ZINC000109655828 507976723 /nfs/dbraw/zinc/97/67/23/507976723.db2.gz MCYKJWCDXSPRRW-HNNXBMFYSA-N 1 0 360.458 2.761 20 5 FFBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@@H](c3nncn3C3CC3)C2)cc1 ZINC000091629123 507997714 /nfs/dbraw/zinc/99/77/14/507997714.db2.gz XVIMBUMUGGURQE-CQSZACIVSA-N 1 0 357.414 2.780 20 5 FFBDRO COC(=O)CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C(C)C ZINC000074321249 508012010 /nfs/dbraw/zinc/01/20/10/508012010.db2.gz PRUQAKHOQDDXLT-UHFFFAOYSA-N 1 0 351.403 2.505 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC=C(c3ccccc3Cl)CC2)c1 ZINC000091856877 508019397 /nfs/dbraw/zinc/01/93/97/508019397.db2.gz XJLFQRLZRXPDFO-OAHLLOKOSA-N 1 0 362.817 2.595 20 5 FFBDRO C[C@H]1CCCN(c2ccc(C(=O)NC[C@@H]3CC[N@H+](C)C3)cc2[N+](=O)[O-])C1 ZINC000110651192 508039526 /nfs/dbraw/zinc/03/95/26/508039526.db2.gz WFDDCNBKCWLWLC-GJZGRUSLSA-N 1 0 360.458 2.513 20 5 FFBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCC[N@@H+]2CC)cc1OC ZINC000110996520 508063874 /nfs/dbraw/zinc/06/38/74/508063874.db2.gz IWMRKWZDOVCOHK-ZDUSSCGKSA-N 1 0 365.430 2.606 20 5 FFBDRO C[NH+](C)[C@H](CNC(=O)NCCc1ccccc1[N+](=O)[O-])c1cccs1 ZINC000080598453 508086782 /nfs/dbraw/zinc/08/67/82/508086782.db2.gz GMVMUTPTTPXXIU-OAHLLOKOSA-N 1 0 362.455 2.801 20 5 FFBDRO CCCc1n[nH]c(C(=O)NCCCCC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000111646098 508112768 /nfs/dbraw/zinc/11/27/68/508112768.db2.gz FCVLSNJYMZGJPF-UHFFFAOYSA-N 1 0 351.451 2.656 20 5 FFBDRO CCCC[N@H+](C)CCNC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000112310550 508173258 /nfs/dbraw/zinc/17/32/58/508173258.db2.gz RHBXJWNEXICZCD-LBPRGKRZSA-N 1 0 357.838 2.864 20 5 FFBDRO CCC[N@H+](C)C[C@@H]1CCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000081571209 508191558 /nfs/dbraw/zinc/19/15/58/508191558.db2.gz XFRPZCWSQFJHCH-ZDUSSCGKSA-N 1 0 368.865 2.850 20 5 FFBDRO C[C@@H]1C[N@@H+](CCCCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)O1 ZINC000083028550 508233184 /nfs/dbraw/zinc/23/31/84/508233184.db2.gz GHWFALIZIDJAHT-BETUJISGSA-N 1 0 369.849 2.867 20 5 FFBDRO Cc1nn(C)c(C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)c1[N+](=O)[O-] ZINC000098098385 508234253 /nfs/dbraw/zinc/23/42/53/508234253.db2.gz PETQSJACRLKRQE-UHFFFAOYSA-N 1 0 357.414 2.875 20 5 FFBDRO C[C@H](CN1CCOCC1)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000113322277 508261005 /nfs/dbraw/zinc/26/10/05/508261005.db2.gz WXHHIBSAEBJJPV-CYBMUJFWSA-N 1 0 362.455 2.529 20 5 FFBDRO Cc1n[nH]c(C(=O)N2CC[NH+](C3CCC(C(C)C)CC3)CC2)c1[N+](=O)[O-] ZINC000084620896 508287447 /nfs/dbraw/zinc/28/74/47/508287447.db2.gz AJIAGJUUDYBHCH-UHFFFAOYSA-N 1 0 363.462 2.599 20 5 FFBDRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000087159788 508340313 /nfs/dbraw/zinc/34/03/13/508340313.db2.gz DLFWNDBEQPSAFN-SFHVURJKSA-N 1 0 355.438 2.817 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000106317524 508399005 /nfs/dbraw/zinc/39/90/05/508399005.db2.gz JODBIPFOZHJHBQ-OLZOCXBDSA-N 1 0 350.419 2.845 20 5 FFBDRO Cc1c(NC(=O)CC[N@@H+]2CC[C@H](Oc3ccncc3)C2)cccc1[N+](=O)[O-] ZINC000156394437 508414114 /nfs/dbraw/zinc/41/41/14/508414114.db2.gz AXDHNQJZERCPOJ-INIZCTEOSA-N 1 0 370.409 2.780 20 5 FFBDRO CC[NH+](CC)[C@@H]1CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000127297323 508428405 /nfs/dbraw/zinc/42/84/05/508428405.db2.gz NYNNBRWZMUERDT-GOSISDBHSA-N 1 0 357.458 2.911 20 5 FFBDRO CC[NH+](CC)[C@H]1CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000127297581 508428432 /nfs/dbraw/zinc/42/84/32/508428432.db2.gz NYNNBRWZMUERDT-SFHVURJKSA-N 1 0 357.458 2.911 20 5 FFBDRO C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C[N@@H+]1C1CC1 ZINC000133779521 508447989 /nfs/dbraw/zinc/44/79/89/508447989.db2.gz MZMQTUPOBVSRRH-SKDRFNHKSA-N 1 0 357.332 2.969 20 5 FFBDRO COc1cc(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)c([N+](=O)[O-])cc1OC ZINC000116130011 508476017 /nfs/dbraw/zinc/47/60/17/508476017.db2.gz GLMHTEJKABSCIU-MRXNPFEDSA-N 1 0 367.446 2.708 20 5 FFBDRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000134023771 508482924 /nfs/dbraw/zinc/48/29/24/508482924.db2.gz OPUCOSVWFBWQJA-INIZCTEOSA-N 1 0 359.401 2.566 20 5 FFBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC([NH+]2CCCCC2)CC1 ZINC000116367231 508504125 /nfs/dbraw/zinc/50/41/25/508504125.db2.gz VVKVCILJKMYJRQ-OAHLLOKOSA-N 1 0 360.458 2.872 20 5 FFBDRO C[C@@H](N[C@@H](CC[NH+](C)C)C(C)(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000116395852 508506199 /nfs/dbraw/zinc/50/61/99/508506199.db2.gz IQPWOBUXDHCCFB-CJNGLKHVSA-N 1 0 350.463 2.878 20 5 FFBDRO CC1CC[NH+](CCCNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC1 ZINC000122277670 508510966 /nfs/dbraw/zinc/51/09/66/508510966.db2.gz YSYQGMVACSKOAY-UHFFFAOYSA-N 1 0 371.441 2.632 20 5 FFBDRO C[NH+](C)[C@H]1CCCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000116746902 508554662 /nfs/dbraw/zinc/55/46/62/508554662.db2.gz HEUKDUWGYCRNBF-ZDUSSCGKSA-N 1 0 355.822 2.570 20 5 FFBDRO C[C@H]1C[C@@H](N(C)C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC[N@@H+]1C ZINC000122833382 508593674 /nfs/dbraw/zinc/59/36/74/508593674.db2.gz WSQARMJTRPPPTF-RDJZCZTQSA-N 1 0 374.485 2.752 20 5 FFBDRO CC(C)[NH+](CCCNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-])C(C)C ZINC000122839076 508593929 /nfs/dbraw/zinc/59/39/29/508593929.db2.gz RUMYOEXFNYQTST-UHFFFAOYSA-N 1 0 357.476 2.919 20 5 FFBDRO Cc1sc(S(=O)(=O)NCCC[N@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000122871098 508599560 /nfs/dbraw/zinc/59/95/60/508599560.db2.gz NEUCXARRMBREEG-LLVKDONJSA-N 1 0 361.489 2.508 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H]1CSC ZINC000135425327 508602406 /nfs/dbraw/zinc/60/24/06/508602406.db2.gz QCSSURBOOQYKSN-CYBMUJFWSA-N 1 0 353.444 2.759 20 5 FFBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1cc(C[NH+]2CCCC2)ccc1C ZINC000128551011 508610091 /nfs/dbraw/zinc/61/00/91/508610091.db2.gz WORMBFNDAWZMBG-UHFFFAOYSA-N 1 0 357.414 2.643 20 5 FFBDRO CCOc1ccc([C@@H](C)NC[C@H](O)C[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000153702548 508629557 /nfs/dbraw/zinc/62/95/57/508629557.db2.gz BUAAZTKKEPMLAV-WBVHZDCISA-N 1 0 365.474 2.737 20 5 FFBDRO O=[N+]([O-])c1cc(C[NH2+]CC2(CO)COC2)ccc1Oc1ccc(F)cc1 ZINC000123058666 508629713 /nfs/dbraw/zinc/62/97/13/508629713.db2.gz YVSMSIVWSLJUIW-UHFFFAOYSA-N 1 0 362.357 2.625 20 5 FFBDRO COC(=O)[C@H](C)C[N@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000153729797 508636986 /nfs/dbraw/zinc/63/69/86/508636986.db2.gz ACTNXUGRZKYWKX-GFCCVEGCSA-N 1 0 363.414 2.505 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)NCC[NH2+]C(C)(C)C)cc2[N+](=O)[O-])C1 ZINC000153891088 508670973 /nfs/dbraw/zinc/67/09/73/508670973.db2.gz MUHZKMJSRIZCBA-CQSZACIVSA-N 1 0 362.474 2.949 20 5 FFBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000153938234 508681272 /nfs/dbraw/zinc/68/12/72/508681272.db2.gz FCQCBNLWFDTSHT-YJBOKZPZSA-N 1 0 372.469 2.872 20 5 FFBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])c4cccnc34)CC[C@@H]21 ZINC000158468252 508708305 /nfs/dbraw/zinc/70/83/05/508708305.db2.gz DHWCIFDAUQDTRA-CJNGLKHVSA-N 1 0 354.410 2.699 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N3C[C@H](C)[NH2+][C@@H](C)C3)cc2[N+](=O)[O-])CC1 ZINC000154152839 508727300 /nfs/dbraw/zinc/72/73/00/508727300.db2.gz IXWJRFBRBAMJTE-GJZGRUSLSA-N 1 0 360.458 2.654 20 5 FFBDRO CC(C)[N@H+]1C[C@H](NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000154266987 508748722 /nfs/dbraw/zinc/74/87/22/508748722.db2.gz HCPPXYHMOGMXAA-HZMBPMFUSA-N 1 0 370.247 2.816 20 5 FFBDRO C[C@H]1C[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2N)C[N@@H+]1Cc1ccccc1 ZINC000137495569 508758661 /nfs/dbraw/zinc/75/86/61/508758661.db2.gz MRNWPIYBWQNBGX-DZGCQCFKSA-N 1 0 354.410 2.570 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCC(OC[C@@H]3CCCCO3)CC2)c1 ZINC000154418935 508780127 /nfs/dbraw/zinc/78/01/27/508780127.db2.gz UHPKEUBUDMILCH-RBUKOAKNSA-N 1 0 364.442 2.678 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCC(OC[C@H]3CCCCO3)CC2)c1 ZINC000154419147 508781433 /nfs/dbraw/zinc/78/14/33/508781433.db2.gz UHPKEUBUDMILCH-RTBURBONSA-N 1 0 364.442 2.678 20 5 FFBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000119384354 508785059 /nfs/dbraw/zinc/78/50/59/508785059.db2.gz GRGBRLJTAIRTJV-MRXNPFEDSA-N 1 0 374.485 2.903 20 5 FFBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000124541237 508848723 /nfs/dbraw/zinc/84/87/23/508848723.db2.gz NMEMTOSAXWTQHN-QAPCUYQASA-N 1 0 358.442 2.753 20 5 FFBDRO CC[N@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)Cc1ccccn1 ZINC000119712072 508849354 /nfs/dbraw/zinc/84/93/54/508849354.db2.gz WRHFQLPVAVSXBQ-UHFFFAOYSA-N 1 0 356.382 2.810 20 5 FFBDRO COc1ccc([C@H]2CCC[N@@H+]2CCn2cc([N+](=O)[O-])ccc2=O)c(OC)c1 ZINC000159702808 508877602 /nfs/dbraw/zinc/87/76/02/508877602.db2.gz IIUQSTKZMMISAS-QGZVFWFLSA-N 1 0 373.409 2.611 20 5 FFBDRO CCCS(=O)(=O)N1CCC([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000154917793 508882681 /nfs/dbraw/zinc/88/26/81/508882681.db2.gz QVZVPVMBTSXWJQ-AWEZNQCLSA-N 1 0 369.487 2.758 20 5 FFBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000150751086 508885470 /nfs/dbraw/zinc/88/54/70/508885470.db2.gz ADAJRVVIQUXFBZ-HNNXBMFYSA-N 1 0 360.458 2.751 20 5 FFBDRO O=C(CN1CC[C@H](C[NH+]2CCCC2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000150810923 508898309 /nfs/dbraw/zinc/89/83/09/508898309.db2.gz BEJCDMIGLDKLSM-CYBMUJFWSA-N 1 0 366.849 2.604 20 5 FFBDRO C[C@@H](Nc1ccc(C(=O)N2CC[NH2+][C@H](C)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000155013523 508903617 /nfs/dbraw/zinc/90/36/17/508903617.db2.gz HREWBKCBVJXVPM-ZIAGYGMSSA-N 1 0 369.425 2.597 20 5 FFBDRO CCC[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1CCOC ZINC000125049106 508923335 /nfs/dbraw/zinc/92/33/35/508923335.db2.gz JIPFHJHUDVOADB-INIZCTEOSA-N 1 0 350.419 2.559 20 5 FFBDRO NC(=O)[C@H]1CCC[C@@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000120081423 508924587 /nfs/dbraw/zinc/92/45/87/508924587.db2.gz KOVACGMFHHNFJR-WCQYABFASA-N 1 0 360.439 2.852 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000160171970 508949082 /nfs/dbraw/zinc/94/90/82/508949082.db2.gz WRMXNXXEHGLGIN-HNNXBMFYSA-N 1 0 367.471 2.542 20 5 FFBDRO O=C(NC1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 ZINC000125542987 508997923 /nfs/dbraw/zinc/99/79/23/508997923.db2.gz DMOPBBXKBSMLPJ-UHFFFAOYSA-N 1 0 369.421 2.868 20 5 FFBDRO CC[NH+](CC)CCCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000160628159 509012518 /nfs/dbraw/zinc/01/25/18/509012518.db2.gz GNTBKSRELKNYDZ-UHFFFAOYSA-N 1 0 358.236 2.819 20 5 FFBDRO CC(C)[N@H+]1C[C@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000155599889 509035143 /nfs/dbraw/zinc/03/51/43/509035143.db2.gz IWOGOPDOCXJNGW-HOCLYGCPSA-N 1 0 360.458 2.654 20 5 FFBDRO O=C(NCC[NH2+]C1CC1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000151580600 509047390 /nfs/dbraw/zinc/04/73/90/509047390.db2.gz DCVHPLMEXZAGAZ-UHFFFAOYSA-N 1 0 354.410 2.689 20 5 FFBDRO NC(=O)[C@@H]1CCC[N@H+](CCCNc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000160970307 509055143 /nfs/dbraw/zinc/05/51/43/509055143.db2.gz CCMUSWRHBKEPLH-LLVKDONJSA-N 1 0 374.363 2.613 20 5 FFBDRO COc1ccc(CNC(=O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000160985173 509056604 /nfs/dbraw/zinc/05/66/04/509056604.db2.gz HQYWTOFTBIKNPF-CQSZACIVSA-N 1 0 357.410 2.879 20 5 FFBDRO CCC[NH+]1CCC(N(C)C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC1 ZINC000161000699 509058760 /nfs/dbraw/zinc/05/87/60/509058760.db2.gz QUZGHFDDOUCTMI-UHFFFAOYSA-N 1 0 371.441 2.727 20 5 FFBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000155781936 509071096 /nfs/dbraw/zinc/07/10/96/509071096.db2.gz PNQYHKLJFKINJB-HNNXBMFYSA-N 1 0 367.409 2.896 20 5 FFBDRO C[NH+](C)Cc1cccc(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000155794243 509073377 /nfs/dbraw/zinc/07/33/77/509073377.db2.gz WRHJTUFWTDQWCY-UHFFFAOYSA-N 1 0 368.437 2.619 20 5 FFBDRO CC(C)N(CC[NH+](C)C)C(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000151774732 509080676 /nfs/dbraw/zinc/08/06/76/509080676.db2.gz LVMGJIMTXLFWMV-LBPRGKRZSA-N 1 0 357.838 2.814 20 5 FFBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@H](O)c3ccc(F)cc3Cl)CC2)n1 ZINC000369494367 512436750 /nfs/dbraw/zinc/43/67/50/512436750.db2.gz PTKGPVKPAITCKP-HNNXBMFYSA-N 1 0 368.796 2.954 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000151831254 509092818 /nfs/dbraw/zinc/09/28/18/509092818.db2.gz ZUPBFUABNNTRGO-UHFFFAOYSA-N 1 0 369.487 2.610 20 5 FFBDRO Cc1c(Br)cc(C(=O)NCC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000121006323 509108298 /nfs/dbraw/zinc/10/82/98/509108298.db2.gz BNKYGJXKMZPOMS-UHFFFAOYSA-N 1 0 370.247 2.737 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCN(Cc2cccnc2)CC1 ZINC000156052080 509117944 /nfs/dbraw/zinc/11/79/44/509117944.db2.gz URZCVQXAVRXMBC-UHFFFAOYSA-N 1 0 355.398 2.648 20 5 FFBDRO Cc1cccc(C(=O)N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)c1[N+](=O)[O-] ZINC000162235107 509181164 /nfs/dbraw/zinc/18/11/64/509181164.db2.gz UCIFVFIWLWKTOH-CALCHBBNSA-N 1 0 374.485 2.534 20 5 FFBDRO CCCN(CC[NH+](CC)CC)c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000162430201 509222821 /nfs/dbraw/zinc/22/28/21/509222821.db2.gz DJCANNTYKBQYIE-UHFFFAOYSA-N 1 0 363.505 2.618 20 5 FFBDRO C[C@@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@H]1COc2ccccc21 ZINC000185595090 509256539 /nfs/dbraw/zinc/25/65/39/509256539.db2.gz MCGDLCQBOPSQEO-CXAGYDPISA-N 1 0 367.405 2.638 20 5 FFBDRO C[C@@H]1C[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]2CCCC[C@H]21 ZINC000248465360 509335489 /nfs/dbraw/zinc/33/54/89/509335489.db2.gz RPKBFNANRJOYEG-XOKHGSTOSA-N 1 0 352.456 2.879 20 5 FFBDRO CCOc1cccc2cc([C@@H](C)[NH2+]C[C@H](O)Cn3cc([N+](=O)[O-])cn3)oc21 ZINC000182649458 509350358 /nfs/dbraw/zinc/35/03/58/509350358.db2.gz SFOFAGRMYDIBGD-DOMZBBRYSA-N 1 0 374.397 2.648 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC(C[NH+]3CCOCC3)CC2)c2ncccc12 ZINC000267193345 509387275 /nfs/dbraw/zinc/38/72/75/509387275.db2.gz HTUFWGPGYWFSRH-UHFFFAOYSA-N 1 0 356.426 2.692 20 5 FFBDRO C[C@@H](C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000163580854 509396124 /nfs/dbraw/zinc/39/61/24/509396124.db2.gz HHARYAOBDCRPGR-BEFAXECRSA-N 1 0 368.437 2.580 20 5 FFBDRO Cc1sc(C(=O)N2CCC(OCCC[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000267263766 509416745 /nfs/dbraw/zinc/41/67/45/509416745.db2.gz ORSSWXFZXGSDPK-UHFFFAOYSA-N 1 0 355.460 2.538 20 5 FFBDRO CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000185938339 509437385 /nfs/dbraw/zinc/43/73/85/509437385.db2.gz BNONDLCJFYFDKF-KKUMJFAQSA-N 1 0 364.446 2.766 20 5 FFBDRO CCC[C@@]1(COC)CCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000248745658 509466688 /nfs/dbraw/zinc/46/66/88/509466688.db2.gz RTWRVCGQHPOWQM-AEFFLSMTSA-N 1 0 352.431 2.616 20 5 FFBDRO CC(C)C[C@@](C)(C[NH3+])NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000236659531 509473348 /nfs/dbraw/zinc/47/33/48/509473348.db2.gz BHOKJSGZDCADJK-INIZCTEOSA-N 1 0 357.838 2.897 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N[C@@H]3CCC[C@@H]3C[NH3+])cc2[N+](=O)[O-])CC1 ZINC000236671105 509476767 /nfs/dbraw/zinc/47/67/67/509476767.db2.gz ZFWXOSJLTGVELO-HZPDHXFCSA-N 1 0 360.458 2.688 20 5 FFBDRO COC(=O)[C@H](C)[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C1CCC1 ZINC000192384091 509496363 /nfs/dbraw/zinc/49/63/63/509496363.db2.gz RUVDLTLAFIBJLP-ZDUSSCGKSA-N 1 0 363.414 2.648 20 5 FFBDRO C[NH+]1CCC(CCNC(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000267478983 509506379 /nfs/dbraw/zinc/50/63/79/509506379.db2.gz RKCUWHIZNSCFTR-UHFFFAOYSA-N 1 0 370.247 2.819 20 5 FFBDRO CC[NH+](CC)CCC[C@H](C)Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000179561890 509514135 /nfs/dbraw/zinc/51/41/35/509514135.db2.gz ROHJNDVYZHUGIZ-NSHDSACASA-N 1 0 363.505 2.982 20 5 FFBDRO COc1cc(N(C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000186166028 509555259 /nfs/dbraw/zinc/55/52/59/509555259.db2.gz ULSPNXDCXYNLQI-HXUWFJFHSA-N 1 0 371.437 2.677 20 5 FFBDRO [NH3+][C@@H](C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)c1cccc(Cl)c1 ZINC000165539898 509575404 /nfs/dbraw/zinc/57/54/04/509575404.db2.gz BVFWBCLHIQTWLI-QGZVFWFLSA-N 1 0 374.828 2.597 20 5 FFBDRO CC[C@@H]1CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000165981754 509589880 /nfs/dbraw/zinc/58/98/80/509589880.db2.gz BHLOEQODUSMBPU-RNCFNFMXSA-N 1 0 356.220 2.557 20 5 FFBDRO Cn1cc(N2CCC[C@H]([NH2+][C@@H](Cc3ccccc3[N+](=O)[O-])C3CC3)C2)cn1 ZINC000166468321 509608189 /nfs/dbraw/zinc/60/81/89/509608189.db2.gz PIKBXZKUTJYAPY-HKUYNNGSSA-N 1 0 369.469 2.908 20 5 FFBDRO COC(=O)[C@@H]1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1C ZINC000249119392 509611357 /nfs/dbraw/zinc/61/13/57/509611357.db2.gz SMTIKIQJZILMKB-CZUORRHYSA-N 1 0 373.409 2.923 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000264582390 509612942 /nfs/dbraw/zinc/61/29/42/509612942.db2.gz JUJMCXDODQNXSV-QGZVFWFLSA-N 1 0 360.458 2.792 20 5 FFBDRO C[C@@H]1C[NH+](CCCCNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000176704216 509649814 /nfs/dbraw/zinc/64/98/14/509649814.db2.gz OCMGRWQQVOUTFJ-XKQHDHNFSA-N 1 0 361.442 2.614 20 5 FFBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCC[C@@H]3C[NH3+])cc2[N+](=O)[O-])C1 ZINC000237477297 509658136 /nfs/dbraw/zinc/65/81/36/509658136.db2.gz OVXCTDRRGQIKMQ-IIAWOOMASA-N 1 0 360.458 2.640 20 5 FFBDRO COc1cccc([C@@H]2[C@H](NC(=O)c3ccc([N+](=O)[O-])o3)CCN2C2CC2)c1 ZINC000183245832 509676644 /nfs/dbraw/zinc/67/66/44/509676644.db2.gz AJAOZHRDTFPTDX-CRAIPNDOSA-N 1 0 371.393 2.904 20 5 FFBDRO CC[N@H+](CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)C1CC1 ZINC000267944648 509681965 /nfs/dbraw/zinc/68/19/65/509681965.db2.gz ORSDJTBXNSDFAG-UHFFFAOYSA-N 1 0 374.210 2.711 20 5 FFBDRO C[C@H]1C[NH+](CCCCNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C[C@H](C)O1 ZINC000267960520 509689666 /nfs/dbraw/zinc/68/96/66/509689666.db2.gz DLSIWYQWBDFLAO-KBPBESRZSA-N 1 0 374.441 2.695 20 5 FFBDRO CN(CC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)CC(F)(F)F ZINC000264776737 509698755 /nfs/dbraw/zinc/69/87/55/509698755.db2.gz LMMLTCCFOWTQEO-UHFFFAOYSA-N 1 0 371.363 2.579 20 5 FFBDRO CN(CC(=O)N1CCC[N@@H+](C2CCCC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000173664275 509707590 /nfs/dbraw/zinc/70/75/90/509707590.db2.gz LBRQLLXVMVQMBZ-UHFFFAOYSA-N 1 0 360.458 2.508 20 5 FFBDRO C[C@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCC[NH2+]CC3)cc2[N+](=O)[O-])C1 ZINC000237712733 509717422 /nfs/dbraw/zinc/71/74/22/509717422.db2.gz IRMDAXYZSILWNU-GJZGRUSLSA-N 1 0 360.458 2.513 20 5 FFBDRO CN(CC1CC[NH+](C)CC1)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000268127862 509771945 /nfs/dbraw/zinc/77/19/45/509771945.db2.gz SEZAUNWPJMCFJZ-UHFFFAOYSA-N 1 0 354.838 2.731 20 5 FFBDRO CC[N@H+](C)CCNC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000264914915 509772643 /nfs/dbraw/zinc/77/26/43/509772643.db2.gz OEHHPRSEJWFLOV-CQSZACIVSA-N 1 0 371.441 2.844 20 5 FFBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000186564264 509774275 /nfs/dbraw/zinc/77/42/75/509774275.db2.gz KITVSBCGZTXTAW-GOSISDBHSA-N 1 0 368.437 2.703 20 5 FFBDRO C[N@@H+]1CC[C@@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)[C@@H]1c1ccccc1 ZINC000180146835 509778644 /nfs/dbraw/zinc/77/86/44/509778644.db2.gz KAUABHDMDALFDP-AEFFLSMTSA-N 1 0 365.393 2.646 20 5 FFBDRO Cc1ccc([C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2C)N2CCOCC2)o1 ZINC000183426633 509782367 /nfs/dbraw/zinc/78/23/67/509782367.db2.gz MUCFCNWDMBIJFU-GOSISDBHSA-N 1 0 359.426 2.968 20 5 FFBDRO CC[N@H+](Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-])CC(C)(C)O ZINC000180160088 509785843 /nfs/dbraw/zinc/78/58/43/509785843.db2.gz QNYCKLVDOJMREK-UHFFFAOYSA-N 1 0 362.373 2.840 20 5 FFBDRO COc1cc(C[N@@H+]2CCC[C@@H]2C[C@@H](C)O)c([N+](=O)[O-])cc1OCC(F)F ZINC000180170797 509791392 /nfs/dbraw/zinc/79/13/92/509791392.db2.gz UZUJYEKQINDYBV-DGCLKSJQSA-N 1 0 374.384 2.983 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2cnc(CCN3CC[NH+](C4CCC4)CC3)o2)c1 ZINC000265126633 509874419 /nfs/dbraw/zinc/87/44/19/509874419.db2.gz LKRXSTUPNLQDNQ-UHFFFAOYSA-N 1 0 356.426 2.962 20 5 FFBDRO C[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Br)C[N@@H+]1C1CC1 ZINC000177172963 509917611 /nfs/dbraw/zinc/91/76/11/509917611.db2.gz YAQPJSDDWLWLIS-VHSXEESVSA-N 1 0 368.231 2.712 20 5 FFBDRO COC(=O)c1sccc1NC(=O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180427587 509923280 /nfs/dbraw/zinc/92/32/80/509923280.db2.gz KMAAMRHEVSPHRD-JTQLQIEISA-N 1 0 363.395 2.732 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[C@@H](C)C1 ZINC000245446096 509940365 /nfs/dbraw/zinc/94/03/65/509940365.db2.gz ZMQCLQMABAHUAS-BBRMVZONSA-N 1 0 359.430 2.807 20 5 FFBDRO CCc1ccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cn2)cc1[N+](=O)[O-] ZINC000174101383 509948338 /nfs/dbraw/zinc/94/83/38/509948338.db2.gz LTIRMLJTJNPKEZ-UHFFFAOYSA-N 1 0 369.425 2.556 20 5 FFBDRO CCc1ccc(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)cc1[N+](=O)[O-] ZINC000174108630 509950929 /nfs/dbraw/zinc/95/09/29/509950929.db2.gz UIAUNRQGXJGWHP-UHFFFAOYSA-N 1 0 368.437 2.947 20 5 FFBDRO C[C@H]1CCC[N@H+](CCNC(=O)c2cccc([N+](=O)[O-])c2Br)C1 ZINC000180531317 509969783 /nfs/dbraw/zinc/96/97/83/509969783.db2.gz AMKFTGFBTZPLDF-NSHDSACASA-N 1 0 370.247 2.819 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000193585240 509977415 /nfs/dbraw/zinc/97/74/15/509977415.db2.gz UJWKSWITMCCXQM-CYBMUJFWSA-N 1 0 373.413 2.535 20 5 FFBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)CC[C@H]21 ZINC000245534640 509988496 /nfs/dbraw/zinc/98/84/96/509988496.db2.gz WDZDIJRSIPTQOP-SMDDNHRTSA-N 1 0 369.368 2.753 20 5 FFBDRO CC[C@]1(CO)CCC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000190214105 510008357 /nfs/dbraw/zinc/00/83/57/510008357.db2.gz DNTRSECHQREIJK-IBGZPJMESA-N 1 0 358.442 2.980 20 5 FFBDRO C[NH+](C)C1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000193667997 510012051 /nfs/dbraw/zinc/01/20/51/510012051.db2.gz KBLXXGPWOPWJIR-UHFFFAOYSA-N 1 0 358.345 2.754 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1CN(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000190310382 510054820 /nfs/dbraw/zinc/05/48/20/510054820.db2.gz UAVBDTDWEAHHRR-NRFANRHFSA-N 1 0 369.465 2.972 20 5 FFBDRO Cc1cc(C(=O)N2CCC[C@@H]2c2nc(C3([NH3+])CCC3)no2)ccc1[N+](=O)[O-] ZINC000261779442 510060552 /nfs/dbraw/zinc/06/05/52/510060552.db2.gz NTJRYZMAFYAEAF-CQSZACIVSA-N 1 0 371.397 2.601 20 5 FFBDRO O=C(Cc1ccccc1[N+](=O)[O-])NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000193794387 510074949 /nfs/dbraw/zinc/07/49/49/510074949.db2.gz ROIBMPMDRQCCEL-KRWDZBQOSA-N 1 0 353.422 2.776 20 5 FFBDRO Cn1c(Sc2ccc([N+](=O)[O-])cc2Cl)nnc1C1CC[NH2+]CC1 ZINC000265481294 510078412 /nfs/dbraw/zinc/07/84/12/510078412.db2.gz SNFQAVVBRCGPKK-UHFFFAOYSA-N 1 0 353.835 2.995 20 5 FFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000193813737 510082943 /nfs/dbraw/zinc/08/29/43/510082943.db2.gz YSUIWWIHXZLNAF-SFHVURJKSA-N 1 0 353.422 2.776 20 5 FFBDRO O=[N+]([O-])c1ccc(CN2CCC(OC[C@@H]3CCCO3)CC2)c([N+](=O)[O-])c1 ZINC000193817731 510085543 /nfs/dbraw/zinc/08/55/43/510085543.db2.gz CKMARCZJYPOCGG-INIZCTEOSA-N 1 0 365.386 2.663 20 5 FFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000171344232 510093755 /nfs/dbraw/zinc/09/37/55/510093755.db2.gz NHRLVLFAVPEFQY-UHFFFAOYSA-N 1 0 372.425 2.559 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000193856338 510102153 /nfs/dbraw/zinc/10/21/53/510102153.db2.gz YOHBTCZDYDABOL-UHFFFAOYSA-N 1 0 372.425 2.535 20 5 FFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000171354645 510102411 /nfs/dbraw/zinc/10/24/11/510102411.db2.gz SPUJGZZYMZFJIN-KRWDZBQOSA-N 1 0 368.437 2.593 20 5 FFBDRO [NH3+][C@H](CNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)C1CC1 ZINC000262000817 510143778 /nfs/dbraw/zinc/14/37/78/510143778.db2.gz ZYWMACLXCXCVDH-MRXNPFEDSA-N 1 0 354.410 2.674 20 5 FFBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)NCc3cc([N+](=O)[O-])ccc3Cl)CC[C@H]21 ZINC000268936683 510146061 /nfs/dbraw/zinc/14/60/61/510146061.db2.gz OYIYIXGCKYHACO-BLLLJJGKSA-N 1 0 366.849 2.874 20 5 FFBDRO O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ncc(C2CC[NH2+]CC2)s1 ZINC000262208983 510209181 /nfs/dbraw/zinc/20/91/81/510209181.db2.gz DTQYWTABTBCUSH-UHFFFAOYSA-N 1 0 362.411 2.536 20 5 FFBDRO CC[NH+]1CCN(c2cccc(NC(=O)Cc3cccc([N+](=O)[O-])c3)c2)CC1 ZINC000184254184 510221691 /nfs/dbraw/zinc/22/16/91/510221691.db2.gz RYGXLOFMMJREPM-UHFFFAOYSA-N 1 0 368.437 2.918 20 5 FFBDRO CCc1oc2ccccc2c1C[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174693838 510255338 /nfs/dbraw/zinc/25/53/38/510255338.db2.gz ZJVRHAOEABHOID-CQSZACIVSA-N 1 0 358.398 2.593 20 5 FFBDRO COc1cc(C(=O)Nc2ncc(C3CC[NH2+]CC3)s2)ccc1[N+](=O)[O-] ZINC000262374567 510260203 /nfs/dbraw/zinc/26/02/03/510260203.db2.gz XBBQLYCUYFJPSZ-UHFFFAOYSA-N 1 0 362.411 2.779 20 5 FFBDRO CC(C)[N@H+](C)Cc1cccc(CNC(=O)c2c(N)cccc2[N+](=O)[O-])c1 ZINC000181063637 510264763 /nfs/dbraw/zinc/26/47/63/510264763.db2.gz OIJHKBIVUMXBII-UHFFFAOYSA-N 1 0 356.426 2.947 20 5 FFBDRO C[C@H](NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CCC[NH2+]C1 ZINC000269167491 510268443 /nfs/dbraw/zinc/26/84/43/510268443.db2.gz DHPGWWXRJYBBGE-WCQYABFASA-N 1 0 360.439 2.836 20 5 FFBDRO [NH3+][C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)c1ccccc1 ZINC000269172474 510272296 /nfs/dbraw/zinc/27/22/96/510272296.db2.gz JSWXDARMFLAJSD-QGZVFWFLSA-N 1 0 354.410 2.625 20 5 FFBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000184340460 510272942 /nfs/dbraw/zinc/27/29/42/510272942.db2.gz VFYDUUQRFPQKQA-UHFFFAOYSA-N 1 0 374.466 2.881 20 5 FFBDRO CCOc1ccc([C@@H](C)[NH2+]C2CCC(S(C)(=O)=O)CC2)cc1[N+](=O)[O-] ZINC000181118653 510281073 /nfs/dbraw/zinc/28/10/73/510281073.db2.gz UBDXWUXIBWKCNQ-LRVUVFPRSA-N 1 0 370.471 3.000 20 5 FFBDRO [NH3+]CCCN(Cc1ccccc1)C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000262441271 510282277 /nfs/dbraw/zinc/28/22/77/510282277.db2.gz HRAZVSVMFIGISE-UHFFFAOYSA-N 1 0 357.410 2.741 20 5 FFBDRO CC[NH2+][C@H](C)CNC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000262490541 510298622 /nfs/dbraw/zinc/29/86/22/510298622.db2.gz UVAAIORNDFGKLR-ZIAGYGMSSA-N 1 0 371.441 2.891 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000194293550 510300042 /nfs/dbraw/zinc/30/00/42/510300042.db2.gz KGNDWCAFIKKRSO-UHFFFAOYSA-N 1 0 368.437 2.903 20 5 FFBDRO C[C@H]1C[C@H](C)CN(c2ccc(C(=O)NC3CC[NH2+]CC3)cc2[N+](=O)[O-])C1 ZINC000262509760 510304710 /nfs/dbraw/zinc/30/47/10/510304710.db2.gz MMYKWYXKGBCYJN-KBPBESRZSA-N 1 0 360.458 2.559 20 5 FFBDRO CCCN(C(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000262578415 510322916 /nfs/dbraw/zinc/32/29/16/510322916.db2.gz KTLFUEZLQIWGMY-AAEUAGOBSA-N 1 0 355.822 2.616 20 5 FFBDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000262581674 510323962 /nfs/dbraw/zinc/32/39/62/510323962.db2.gz KDJAGUWAOZFZEE-ZOBUZTSGSA-N 1 0 374.485 2.901 20 5 FFBDRO O=[N+]([O-])c1cnn(CC[N@@H+](CCCO)Cc2ccc(Cl)c(Cl)c2)c1 ZINC000174855459 510345894 /nfs/dbraw/zinc/34/58/94/510345894.db2.gz ZAMDGKWTPHFTMM-UHFFFAOYSA-N 1 0 373.240 2.983 20 5 FFBDRO C[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1cccc(N2CCOC2=O)c1 ZINC000181314240 510351525 /nfs/dbraw/zinc/35/15/25/510351525.db2.gz OWVGSMNLARDUMC-FZKQIMNGSA-N 1 0 371.393 2.936 20 5 FFBDRO Cc1cc(C(=O)N2CCN(C3CC[NH+](C(C)C)CC3)CC2)cc([N+](=O)[O-])c1 ZINC000269366064 510364660 /nfs/dbraw/zinc/36/46/60/510364660.db2.gz KQEAMDSXTZZOII-UHFFFAOYSA-N 1 0 374.485 2.534 20 5 FFBDRO CCC(CC)[C@@H](CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])[NH+](C)C ZINC000181445964 510413177 /nfs/dbraw/zinc/41/31/77/510413177.db2.gz IILQQVVOPGBQIK-GFCCVEGCSA-N 1 0 363.505 2.838 20 5 FFBDRO C[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CCc2ccccc2C1 ZINC000246333669 510431877 /nfs/dbraw/zinc/43/18/77/510431877.db2.gz HBFABCLKBNOQIX-HKUYNNGSSA-N 1 0 356.422 2.824 20 5 FFBDRO CCC[N@H+](C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2N2CCOC2=O)C1 ZINC000266241887 510479335 /nfs/dbraw/zinc/47/93/35/510479335.db2.gz XNXLYPFCGZMXQL-AWEZNQCLSA-N 1 0 362.430 2.720 20 5 FFBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000184727530 510487091 /nfs/dbraw/zinc/48/70/91/510487091.db2.gz NTHLIFYBRANHNQ-LBPRGKRZSA-N 1 0 354.838 2.922 20 5 FFBDRO C[C@@H]1CC[C@@](CO)([N@H+](C)CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000187946497 510514950 /nfs/dbraw/zinc/51/49/50/510514950.db2.gz RYDXEYOZGMSSGM-BDJLRTHQSA-N 1 0 355.822 2.670 20 5 FFBDRO CCC[C@@H]([NH2+]CC1CCN(S(C)(=O)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000178263822 510516720 /nfs/dbraw/zinc/51/67/20/510516720.db2.gz DCRITIWSMVQISI-QGZVFWFLSA-N 1 0 369.487 2.697 20 5 FFBDRO CCC[C@H]([NH2+]CC1CCN(S(C)(=O)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000178263811 510517328 /nfs/dbraw/zinc/51/73/28/510517328.db2.gz DCRITIWSMVQISI-KRWDZBQOSA-N 1 0 369.487 2.697 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000194815733 510542264 /nfs/dbraw/zinc/54/22/64/510542264.db2.gz KHBGVYGKDFVRRN-UHFFFAOYSA-N 1 0 354.410 2.693 20 5 FFBDRO CN(CC1([NH+](C)C)CCC1)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000188016708 510549927 /nfs/dbraw/zinc/54/99/27/510549927.db2.gz MKLGMUWIJGYKDH-UHFFFAOYSA-N 1 0 370.247 2.914 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CC[NH+](CC2CCOCC2)CC1 ZINC000175246950 510551081 /nfs/dbraw/zinc/55/10/81/510551081.db2.gz YKWSZRCCOOPILS-UHFFFAOYSA-N 1 0 363.458 2.538 20 5 FFBDRO C[C@]1([NH3+])CCCC[C@H]1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000263142507 510581322 /nfs/dbraw/zinc/58/13/22/510581322.db2.gz CMGNSCAGUXPMLT-HKUYNNGSSA-N 1 0 361.442 2.872 20 5 FFBDRO C[C@@]1([NH3+])CCCC[C@@H]1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000263142512 510581553 /nfs/dbraw/zinc/58/15/53/510581553.db2.gz CMGNSCAGUXPMLT-IEBWSBKVSA-N 1 0 361.442 2.872 20 5 FFBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCN(C)CC12CCCCC2 ZINC000175313364 510584036 /nfs/dbraw/zinc/58/40/36/510584036.db2.gz BKLFCLWFSKZBHQ-UHFFFAOYSA-N 1 0 367.471 2.542 20 5 FFBDRO Cc1ccc(S(=O)(=O)N2CCN(C)CC23CCCCC3)cc1[N+](=O)[O-] ZINC000175312209 510584475 /nfs/dbraw/zinc/58/44/75/510584475.db2.gz JBTQQGXEXOCNBO-UHFFFAOYSA-N 1 0 367.471 2.542 20 5 FFBDRO CCC[NH+]1CCC(CNC(=O)NCc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000194943997 510603814 /nfs/dbraw/zinc/60/38/14/510603814.db2.gz ZXEVTLHLGWNJSM-UHFFFAOYSA-N 1 0 364.446 2.525 20 5 FFBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1cccc(N2CCCC2)c1 ZINC000181857983 510629645 /nfs/dbraw/zinc/62/96/45/510629645.db2.gz SMVJPIBIALZGBD-OAHLLOKOSA-N 1 0 356.426 2.708 20 5 FFBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NCCC[NH+]1CCCC1 ZINC000172268856 510639435 /nfs/dbraw/zinc/63/94/35/510639435.db2.gz XVBPISCLXISRRM-UHFFFAOYSA-N 1 0 355.822 2.619 20 5 FFBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2C)[C@@H](C)C1 ZINC000246739296 510645506 /nfs/dbraw/zinc/64/55/06/510645506.db2.gz IITJRRMKTWHOEW-MAUKXSAKSA-N 1 0 363.458 2.770 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000195062283 510655304 /nfs/dbraw/zinc/65/53/04/510655304.db2.gz PRCYLTNKDPFMER-UHFFFAOYSA-N 1 0 354.410 2.945 20 5 FFBDRO CCN(CCC[NH+]1CCCC1)S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000188267037 510678087 /nfs/dbraw/zinc/67/80/87/510678087.db2.gz ZLOUPVWEVLZGMD-UHFFFAOYSA-N 1 0 369.487 2.708 20 5 FFBDRO Cc1cccc(C[N@@H+](Cc2ccco2)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000266611124 510687587 /nfs/dbraw/zinc/68/75/87/510687587.db2.gz CGBUSIOGZNJSBZ-GOSISDBHSA-N 1 0 370.409 2.756 20 5 FFBDRO CC[C@@H]([NH2+][C@@H](C)C(=O)NC(=O)NC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000178675131 510716263 /nfs/dbraw/zinc/71/62/63/510716263.db2.gz PKHIEPZIUVQCPM-SMDDNHRTSA-N 1 0 350.419 2.648 20 5 FFBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)cc1[N+](=O)[O-] ZINC000178682521 510719905 /nfs/dbraw/zinc/71/99/05/510719905.db2.gz ZJIPRLWSEVJJOM-OLZOCXBDSA-N 1 0 370.409 2.680 20 5 FFBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)C1 ZINC000246876483 510723188 /nfs/dbraw/zinc/72/31/88/510723188.db2.gz ICNIFBROMZCDNS-KBPBESRZSA-N 1 0 351.472 2.876 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+]2CCC(OC3CCCC3)CC2)c1 ZINC000195323801 510782600 /nfs/dbraw/zinc/78/26/00/510782600.db2.gz JBNRWJFPUYKLQO-MRXNPFEDSA-N 1 0 364.442 2.758 20 5 FFBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CC[NH2+][C@H](C)C3)cc2[N+](=O)[O-])C1 ZINC000188482848 510790767 /nfs/dbraw/zinc/79/07/67/510790767.db2.gz HSAWKOLICYTIHA-QLFBSQMISA-N 1 0 360.458 2.511 20 5 FFBDRO CO[C@H](C)[C@H](C)[NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000191704572 510793975 /nfs/dbraw/zinc/79/39/75/510793975.db2.gz SHSZARIFKBHESJ-IVZWLZJFSA-N 1 0 363.336 2.954 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@H](c3nccs3)C2)c1 ZINC000195343840 510794428 /nfs/dbraw/zinc/79/44/28/510794428.db2.gz ARWDPEUQOYFBJY-DZGCQCFKSA-N 1 0 363.439 2.671 20 5 FFBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000175800129 510797599 /nfs/dbraw/zinc/79/75/99/510797599.db2.gz FCYVJAQVECUCBB-QGZVFWFLSA-N 1 0 360.458 2.701 20 5 FFBDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000182177117 510797587 /nfs/dbraw/zinc/79/75/87/510797587.db2.gz CXSCMZHJZZCMHP-DGCLKSJQSA-N 1 0 352.337 2.964 20 5 FFBDRO CC(C)(C)OC(=O)CCCC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000182179589 510798953 /nfs/dbraw/zinc/79/89/53/510798953.db2.gz ZVAMXULFXFCIIC-CQSZACIVSA-N 1 0 364.446 2.988 20 5 FFBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H](c2ccsc2)[NH+](CC)CC)n1 ZINC000191771412 510823877 /nfs/dbraw/zinc/82/38/77/510823877.db2.gz UNKCFYRYTPAJOZ-ZDUSSCGKSA-N 1 0 365.459 2.686 20 5 FFBDRO CC(C)[N@H+](CCc1nccs1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182250140 510833786 /nfs/dbraw/zinc/83/37/86/510833786.db2.gz AQOMBOJFAPGEJB-CQSZACIVSA-N 1 0 365.455 2.744 20 5 FFBDRO C[NH+](C)Cc1cccc(C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000188582737 510833848 /nfs/dbraw/zinc/83/38/48/510833848.db2.gz USZFFBJKZMBJOU-UHFFFAOYSA-N 1 0 355.394 2.560 20 5 FFBDRO Cn1cc([C@@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)c2ccc(F)cc2)cn1 ZINC000185438201 510844848 /nfs/dbraw/zinc/84/48/48/510844848.db2.gz BXFMAUQKPICBRI-OALUTQOASA-N 1 0 370.384 2.880 20 5 FFBDRO CN(C)c1ccc(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000263835671 510852011 /nfs/dbraw/zinc/85/20/11/510852011.db2.gz WWOYTSOPHFSUOQ-UHFFFAOYSA-N 1 0 366.425 2.746 20 5 FFBDRO COc1ccccc1C[C@@H](C)[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000247486879 510862745 /nfs/dbraw/zinc/86/27/45/510862745.db2.gz KQKPZJQNADDTID-CRAIPNDOSA-N 1 0 374.437 2.906 20 5 FFBDRO Cn1nccc1[C@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000360306298 510896043 /nfs/dbraw/zinc/89/60/43/510896043.db2.gz WHCSOSOKLCHQHU-AWEZNQCLSA-N 1 0 357.414 2.537 20 5 FFBDRO Cc1cccn2c(=O)cc(C[N@H+](C)CCc3ccccc3[N+](=O)[O-])nc12 ZINC000285431422 510904047 /nfs/dbraw/zinc/90/40/47/510904047.db2.gz WRUBJEPRSCXMLW-UHFFFAOYSA-N 1 0 352.394 2.586 20 5 FFBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])C2)C1 ZINC000293964410 510912317 /nfs/dbraw/zinc/91/23/17/510912317.db2.gz UCEKATJJXJMODU-INIZCTEOSA-N 1 0 369.874 2.895 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C2CCC(C(F)F)CC2)cc1 ZINC000282282898 510914266 /nfs/dbraw/zinc/91/42/66/510914266.db2.gz LDVNJJCCIODJEV-UHFFFAOYSA-N 1 0 362.398 2.782 20 5 FFBDRO [NH3+]C[C@H]1CCCN(C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000297446342 510948486 /nfs/dbraw/zinc/94/84/86/510948486.db2.gz VMVZNXCJUYKCOM-LLVKDONJSA-N 1 0 374.363 2.613 20 5 FFBDRO C[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C[C@H](C)N1C ZINC000294090422 510951157 /nfs/dbraw/zinc/95/11/57/510951157.db2.gz XMLWVIUFQWAHDS-DTORHVGOSA-N 1 0 374.210 2.661 20 5 FFBDRO CCOCCC[N@@H+]1CC[C@@H](NCc2ccc([N+](=O)[O-])c(F)c2)[C@H](C)C1 ZINC000282478873 510993246 /nfs/dbraw/zinc/99/32/46/510993246.db2.gz LMFNXSRCCSLQGD-RHSMWYFYSA-N 1 0 353.438 2.961 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000270977518 511044842 /nfs/dbraw/zinc/04/48/42/511044842.db2.gz WWDNDFVLSBGWEV-UHFFFAOYSA-N 1 0 374.485 2.534 20 5 FFBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@@H]1CCC2(CCOCC2)[C@@H]1O ZINC000282646043 511059140 /nfs/dbraw/zinc/05/91/40/511059140.db2.gz HLTPKNUUMAWRMT-BLLLJJGKSA-N 1 0 354.834 2.906 20 5 FFBDRO CC(C)[C@@H]1CN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000332448499 511082804 /nfs/dbraw/zinc/08/28/04/511082804.db2.gz LTZVFHLFRQOXJO-SFHVURJKSA-N 1 0 360.458 2.607 20 5 FFBDRO CC(C)[N@@H+]1CCCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)CC1 ZINC000294532392 511094918 /nfs/dbraw/zinc/09/49/18/511094918.db2.gz IYBFTXDWHJMZHJ-UHFFFAOYSA-N 1 0 357.414 2.541 20 5 FFBDRO CCOc1cc(C[N@H+](C)C2CCN(c3cnccn3)CC2)ccc1[N+](=O)[O-] ZINC000364833749 511104196 /nfs/dbraw/zinc/10/41/96/511104196.db2.gz LFNNSMCCINLWLT-UHFFFAOYSA-N 1 0 371.441 2.884 20 5 FFBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000279514004 511110750 /nfs/dbraw/zinc/11/07/50/511110750.db2.gz RVQBBUPXKAZLMG-UHFFFAOYSA-N 1 0 364.421 2.701 20 5 FFBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000279683106 511175448 /nfs/dbraw/zinc/17/54/48/511175448.db2.gz AOOFZRIUNKMCQG-NHYWBVRUSA-N 1 0 369.824 2.873 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])c(-c2nc([C@@H]3CN(C(C)C)CCO3)no2)c1 ZINC000282961366 511178185 /nfs/dbraw/zinc/17/81/85/511178185.db2.gz KMDHACWQQHBWNR-HNNXBMFYSA-N 1 0 362.386 2.825 20 5 FFBDRO Cc1nc(N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)ncc1[N+](=O)[O-] ZINC000294827740 511190705 /nfs/dbraw/zinc/19/07/05/511190705.db2.gz AFKMDQVUJQZRTR-IBGZPJMESA-N 1 0 353.426 2.796 20 5 FFBDRO COCCCN(C(=O)c1cc(Cl)ccc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000291431370 511194676 /nfs/dbraw/zinc/19/46/76/511194676.db2.gz LSMLAERHYKLWSZ-UHFFFAOYSA-N 1 0 369.849 2.821 20 5 FFBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NCCC[C@@H]1CCC[NH2+]1 ZINC000294941500 511228730 /nfs/dbraw/zinc/22/87/30/511228730.db2.gz VKOGARWZNDVKDU-ZDUSSCGKSA-N 1 0 355.822 2.666 20 5 FFBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000365099734 511256110 /nfs/dbraw/zinc/25/61/10/511256110.db2.gz MROLQGGKUUVPTR-VXGBXAGGSA-N 1 0 355.797 2.673 20 5 FFBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000365099732 511256180 /nfs/dbraw/zinc/25/61/80/511256180.db2.gz MROLQGGKUUVPTR-NWDGAFQWSA-N 1 0 355.797 2.673 20 5 FFBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC000291608849 511265717 /nfs/dbraw/zinc/26/57/17/511265717.db2.gz QVRNEGBOKVTUJS-SECBINFHSA-N 1 0 367.254 2.816 20 5 FFBDRO CC[N@@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)C1 ZINC000283257714 511296270 /nfs/dbraw/zinc/29/62/70/511296270.db2.gz ABPXNTBUYGZQSL-NSHDSACASA-N 1 0 370.247 2.737 20 5 FFBDRO O=C(Nc1ccccc1C[NH+]1CCC(O)CC1)c1cc(F)ccc1[N+](=O)[O-] ZINC000271733733 511304297 /nfs/dbraw/zinc/30/42/97/511304297.db2.gz NMQGUPRHDNSDKK-UHFFFAOYSA-N 1 0 373.384 2.943 20 5 FFBDRO CCOc1cc(C[N@@H+]2CC[C@@H]3[C@H](CCC(=O)N3C3CC3)C2)ccc1[N+](=O)[O-] ZINC000365188055 511306086 /nfs/dbraw/zinc/30/60/86/511306086.db2.gz AOCIXCQLRWCVAW-NVXWUHKLSA-N 1 0 373.453 2.969 20 5 FFBDRO CCCC[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(OC)cc1 ZINC000271787142 511324166 /nfs/dbraw/zinc/32/41/66/511324166.db2.gz HGUWOQJNBOALRI-SJLPKXTDSA-N 1 0 362.430 2.682 20 5 FFBDRO C[C@@H]1CN(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CC[N@@H+](C2CC2)C1 ZINC000295450087 511408920 /nfs/dbraw/zinc/40/89/20/511408920.db2.gz WNTXISWLMADCQG-AWEZNQCLSA-N 1 0 359.426 2.500 20 5 FFBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000333984588 511414440 /nfs/dbraw/zinc/41/44/40/511414440.db2.gz CERYVZBOLRYYJN-KOLCDFICSA-N 1 0 370.247 2.878 20 5 FFBDRO COc1ccc(CNC(=O)NC[C@H](c2ccccc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000298862907 511435196 /nfs/dbraw/zinc/43/51/96/511435196.db2.gz KJQQTPNQMZWUGU-QGZVFWFLSA-N 1 0 372.425 2.706 20 5 FFBDRO Cc1nccn1CCCN(C)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000295542500 511439229 /nfs/dbraw/zinc/43/92/29/511439229.db2.gz OLCVGVPOQQTHHH-UHFFFAOYSA-N 1 0 368.397 2.652 20 5 FFBDRO C[C@@H]1CN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC[N@@H+](C2CCC2)C1 ZINC000292076629 511455580 /nfs/dbraw/zinc/45/55/80/511455580.db2.gz DAOGSGHNJBSGFS-CQSZACIVSA-N 1 0 371.441 2.951 20 5 FFBDRO CC(C)(C[C@@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1)C(N)=O ZINC000295605534 511459022 /nfs/dbraw/zinc/45/90/22/511459022.db2.gz NLFWQTDOZDTUAR-LBPRGKRZSA-N 1 0 360.414 2.850 20 5 FFBDRO Nc1ccc(NCc2ccc(C[NH+]3CCC(O)CC3)cc2)c([N+](=O)[O-])c1 ZINC000283770239 511494481 /nfs/dbraw/zinc/49/44/81/511494481.db2.gz OOUJDPHLABXFSP-UHFFFAOYSA-N 1 0 356.426 2.746 20 5 FFBDRO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000363390001 511520643 /nfs/dbraw/zinc/52/06/43/511520643.db2.gz HQSKLIJHDNPTMO-OAHLLOKOSA-N 1 0 369.425 2.527 20 5 FFBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292245564 511520785 /nfs/dbraw/zinc/52/07/85/511520785.db2.gz XFSUQIDGMPBMKH-YVEFUNNKSA-N 1 0 366.849 2.603 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)Cn1cnc2c1C[C@@H](C)[C@@H](C)C2 ZINC000296049960 511602861 /nfs/dbraw/zinc/60/28/61/511602861.db2.gz UBMOCWSCONHSMU-NWDGAFQWSA-N 1 0 358.398 2.809 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000296262969 511676357 /nfs/dbraw/zinc/67/63/57/511676357.db2.gz OFVZXKUHFOYFDO-OLMNPRSZSA-N 1 0 359.426 2.779 20 5 FFBDRO Cn1cnc([N+](=O)[O-])c1N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000292665247 511677510 /nfs/dbraw/zinc/67/75/10/511677510.db2.gz HMBIMFQTYHVLNH-UHFFFAOYSA-N 1 0 355.442 2.821 20 5 FFBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)C2)C1 ZINC000292699112 511690099 /nfs/dbraw/zinc/69/00/99/511690099.db2.gz QQINZVSRLSAMFZ-INIZCTEOSA-N 1 0 370.356 2.756 20 5 FFBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000292729365 511700877 /nfs/dbraw/zinc/70/08/77/511700877.db2.gz GLMGYTXJXUTISF-CYBMUJFWSA-N 1 0 373.375 2.768 20 5 FFBDRO CC[N@H+](C)[C@H](C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1ccccc1 ZINC000365969195 511756403 /nfs/dbraw/zinc/75/64/03/511756403.db2.gz OKWKZZLZXPWZAB-SFHVURJKSA-N 1 0 371.441 2.648 20 5 FFBDRO CNc1c(C(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000311379129 511776186 /nfs/dbraw/zinc/77/61/86/511776186.db2.gz APDKPRZGCGACMB-CQSZACIVSA-N 1 0 356.426 2.887 20 5 FFBDRO C[N@@H+]1CC[C@@H]2OCCN(Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)[C@H]2C1 ZINC000284634914 511804115 /nfs/dbraw/zinc/80/41/15/511804115.db2.gz NNJKFACVQCNCDF-HKUYNNGSSA-N 1 0 357.410 2.760 20 5 FFBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H](O)COCc2ccccc2Cl)c1 ZINC000324534053 511838110 /nfs/dbraw/zinc/83/81/10/511838110.db2.gz PYUHKFBWMOMKSD-INIZCTEOSA-N 1 0 350.802 2.916 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[N@@H+](C2CC2)C[C@@H](C)C1 ZINC000296687038 511853604 /nfs/dbraw/zinc/85/36/04/511853604.db2.gz JEGHRDQJNZEDBB-AWEZNQCLSA-N 1 0 360.458 2.648 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]2)c1C ZINC000327758580 511880927 /nfs/dbraw/zinc/88/09/27/511880927.db2.gz RNRYMBLMQGXKJC-CVEARBPZSA-N 1 0 367.471 2.507 20 5 FFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCN(C)[C@@H](c2nc(C3CC3)no2)C1 ZINC000284997476 511961826 /nfs/dbraw/zinc/96/18/26/511961826.db2.gz TWNZYTTWMHTWRQ-BLLLJJGKSA-N 1 0 357.414 2.905 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC([NH2+]C(C)C)CC1 ZINC000281904004 512005506 /nfs/dbraw/zinc/00/55/06/512005506.db2.gz IGXUHFIBWCCDJX-UHFFFAOYSA-N 1 0 350.419 2.988 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC000275078751 512034598 /nfs/dbraw/zinc/03/45/98/512034598.db2.gz CNZMLXQCIXFIEK-NWDGAFQWSA-N 1 0 359.348 2.965 20 5 FFBDRO C[C@@H]([NH2+][C@@H](Cc1ccccc1)C(=O)N(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293666095 512045744 /nfs/dbraw/zinc/04/57/44/512045744.db2.gz JMEOTQBHRWMZLT-DYVFJYSZSA-N 1 0 356.426 2.527 20 5 FFBDRO C[C@@H]1CN(C(=O)CCOc2ccccc2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000293708131 512057558 /nfs/dbraw/zinc/05/75/58/512057558.db2.gz NZVHJNVARJKCFR-HNNXBMFYSA-N 1 0 361.442 2.697 20 5 FFBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)n1 ZINC000366588589 512096388 /nfs/dbraw/zinc/09/63/88/512096388.db2.gz CVJQBWGQLLMUMB-UHFFFAOYSA-N 1 0 369.469 2.779 20 5 FFBDRO COc1ccc([C@@H](CO)[N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000411270854 512554515 /nfs/dbraw/zinc/55/45/15/512554515.db2.gz QFEMXPNBQZAEPK-GOSISDBHSA-N 1 0 373.409 2.597 20 5 FFBDRO O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000378225513 512648110 /nfs/dbraw/zinc/64/81/10/512648110.db2.gz LHBVWCUQHTZLSR-GOSISDBHSA-N 1 0 372.469 2.799 20 5 FFBDRO CC(C)Oc1cc(C(=O)NC2CC[NH+](CC3CC3)CC2)ccc1[N+](=O)[O-] ZINC000411504594 512665912 /nfs/dbraw/zinc/66/59/12/512665912.db2.gz PSRIMSBUSZHEBZ-UHFFFAOYSA-N 1 0 361.442 2.986 20 5 FFBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000367816827 512674925 /nfs/dbraw/zinc/67/49/25/512674925.db2.gz VWAMBJNNELNOSQ-UHFFFAOYSA-N 1 0 374.485 2.651 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])cn1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000372012250 512678493 /nfs/dbraw/zinc/67/84/93/512678493.db2.gz GYGXWRXUJSIINF-UHFFFAOYSA-N 1 0 368.437 2.771 20 5 FFBDRO C[C@]1(CNC(=O)c2c(N)cccc2[N+](=O)[O-])CC[N@H+](Cc2ccccc2)C1 ZINC000374162084 512686130 /nfs/dbraw/zinc/68/61/30/512686130.db2.gz LNHZWTOAZMTGNQ-HXUWFJFHSA-N 1 0 368.437 2.819 20 5 FFBDRO O=[N+]([O-])c1cnc(N2CCC(c3c[nH]cn3)CC2)c(Br)c1 ZINC000374202377 512705565 /nfs/dbraw/zinc/70/55/65/512705565.db2.gz RDFXRYCSYDJVAW-UHFFFAOYSA-N 1 0 352.192 2.859 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)c1F ZINC000411606226 512715063 /nfs/dbraw/zinc/71/50/63/512715063.db2.gz QPIDEKGZICAASE-CHWSQXEVSA-N 1 0 367.421 2.522 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCSCC[C@H]1C ZINC000411629039 512726711 /nfs/dbraw/zinc/72/67/11/512726711.db2.gz ZSUZCBBQLMIMCM-GFCCVEGCSA-N 1 0 353.444 2.759 20 5 FFBDRO C[N@@H+]1C[C@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)[C@@H](c2ccccc2)C1 ZINC000374301612 512753953 /nfs/dbraw/zinc/75/39/53/512753953.db2.gz KKVJQGDKDAHADR-MOPGFXCFSA-N 1 0 353.422 2.741 20 5 FFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000370142441 512788237 /nfs/dbraw/zinc/78/82/37/512788237.db2.gz MGUAVOFSTRPVTM-UHFFFAOYSA-N 1 0 361.442 2.942 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCSC3(CCC3)CC2)c1 ZINC000411855036 512846009 /nfs/dbraw/zinc/84/60/09/512846009.db2.gz JUCJKCAMAYSEQG-OAHLLOKOSA-N 1 0 352.456 2.696 20 5 FFBDRO CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1N)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000383248761 512880790 /nfs/dbraw/zinc/88/07/90/512880790.db2.gz AHYPWXZDTOJNNW-OAHLLOKOSA-N 1 0 372.400 2.663 20 5 FFBDRO Cc1cc(Br)cc([N+](=O)[O-])c1OCc1nc(C(C)(C)[NH3+])no1 ZINC000388859647 512897927 /nfs/dbraw/zinc/89/79/27/512897927.db2.gz OZRJTJXIXJJWBZ-UHFFFAOYSA-N 1 0 371.191 2.822 20 5 FFBDRO CO[C@](C)([C@@H](C)[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000411979074 512899211 /nfs/dbraw/zinc/89/92/11/512899211.db2.gz ZOHDNYSWLSHERZ-QLJPJBMISA-N 1 0 355.822 2.980 20 5 FFBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3N3CCCCC3)C[C@@H]21 ZINC000374602237 512911788 /nfs/dbraw/zinc/91/17/88/512911788.db2.gz HLSSJRHCQXKQFO-JCGIZDLHSA-N 1 0 372.469 2.785 20 5 FFBDRO Cc1cnc(NCC2(O)CC[NH+](Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000397587728 512947948 /nfs/dbraw/zinc/94/79/48/512947948.db2.gz HWLIVBHHNGKVOF-UHFFFAOYSA-N 1 0 356.426 2.737 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2Cc1ccc([N+](=O)[O-])cc1Cl ZINC000374695358 512959924 /nfs/dbraw/zinc/95/99/24/512959924.db2.gz FKVAHQZXROFEJP-KBRIMQKVSA-N 1 0 353.850 2.932 20 5 FFBDRO C[NH+](C)C[C@@H]1CN(C(=O)c2cc(F)ccc2[N+](=O)[O-])c2ccccc2O1 ZINC000370503322 512966930 /nfs/dbraw/zinc/96/69/30/512966930.db2.gz RHBGCOKUQORQFF-CYBMUJFWSA-N 1 0 359.357 2.703 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N3CC[NH2+]C(C)(C)C3)cc2[N+](=O)[O-])C1 ZINC000408320438 513044595 /nfs/dbraw/zinc/04/45/95/513044595.db2.gz OKXQCCKOWHBHKK-CQSZACIVSA-N 1 0 360.458 2.655 20 5 FFBDRO CC(C)Oc1cc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)ccc1[N+](=O)[O-] ZINC000412357443 513052282 /nfs/dbraw/zinc/05/22/82/513052282.db2.gz DWZRCQIWUCJPRB-IBGZPJMESA-N 1 0 361.442 2.940 20 5 FFBDRO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCCC2(CC[NH2+]CC2)C1 ZINC000368811315 513111775 /nfs/dbraw/zinc/11/17/75/513111775.db2.gz VBCSDJXQHXKJAH-UHFFFAOYSA-N 1 0 358.442 2.775 20 5 FFBDRO CC[C@@H](CO)[NH+]1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CC1 ZINC000450364615 513159854 /nfs/dbraw/zinc/15/98/54/513159854.db2.gz YXQOOYLSQTVBSV-AWEZNQCLSA-N 1 0 362.455 2.611 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1CNc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000421337358 513228864 /nfs/dbraw/zinc/22/88/64/513228864.db2.gz CALIYALIAJWSBG-UHFFFAOYSA-N 1 0 370.409 2.985 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000428994674 513244780 /nfs/dbraw/zinc/24/47/80/513244780.db2.gz PJOYOFYKABARLM-DHSIGJKJSA-N 1 0 360.458 2.504 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000429022037 513258200 /nfs/dbraw/zinc/25/82/00/513258200.db2.gz RBXIZWHAVKIKAC-QIIPPGSGSA-N 1 0 360.458 2.504 20 5 FFBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[N@@H+]([C@H]2C[C@H]2C)C[C@H](C)C1 ZINC000429023173 513259628 /nfs/dbraw/zinc/25/96/28/513259628.db2.gz DOXPTPZECWZEIZ-ADAWSYLGSA-N 1 0 360.458 2.584 20 5 FFBDRO COc1ccc(NC(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)cc1[N+](=O)[O-] ZINC000415436485 513261485 /nfs/dbraw/zinc/26/14/85/513261485.db2.gz JWMNFMMMLJYARJ-MRXNPFEDSA-N 1 0 362.430 2.845 20 5 FFBDRO COc1ccc(NC(=O)N(CCC[NH3+])CC2CCCC2)cc1[N+](=O)[O-] ZINC000415441273 513262518 /nfs/dbraw/zinc/26/25/18/513262518.db2.gz OZNOWZVTUROSAG-UHFFFAOYSA-N 1 0 350.419 2.976 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N3CC[C@H]([NH3+])[C@H](C)C3)cc2[N+](=O)[O-])C1 ZINC000429151758 513292860 /nfs/dbraw/zinc/29/28/60/513292860.db2.gz UDIUNHCPDWCYEL-FMKPAKJESA-N 1 0 360.458 2.640 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)NCC[C@@H]3CCC[NH2+]C3)cc2[N+](=O)[O-])C1 ZINC000429208628 513305786 /nfs/dbraw/zinc/30/57/86/513305786.db2.gz ADHRONOQAVUALZ-CVEARBPZSA-N 1 0 374.485 2.951 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCCc2cc(C[NH3+])ccc21 ZINC000440421285 513316540 /nfs/dbraw/zinc/31/65/40/513316540.db2.gz ZTSRQPPLGVQGAF-UHFFFAOYSA-N 1 0 361.423 2.503 20 5 FFBDRO CC(C)[C@@](C)(C[NH3+])NC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000429280074 513323900 /nfs/dbraw/zinc/32/39/00/513323900.db2.gz WZFUZVKEOMELJJ-AUUYWEPGSA-N 1 0 362.474 2.934 20 5 FFBDRO CC(C)(C)OC(=O)CN[C@@]1(C)CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000440491425 513331976 /nfs/dbraw/zinc/33/19/76/513331976.db2.gz SEPYBXCEFNZZJV-IBGZPJMESA-N 1 0 363.458 2.533 20 5 FFBDRO CCC1(CC)[C@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1OC ZINC000429320995 513339512 /nfs/dbraw/zinc/33/95/12/513339512.db2.gz ZCXOHCZFCZOICT-UAGQMJEPSA-N 1 0 352.431 2.518 20 5 FFBDRO C[C@@H](CCCC[NH3+])NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000418088386 513368208 /nfs/dbraw/zinc/36/82/08/513368208.db2.gz KIKMJHXEJXBQGO-JTQLQIEISA-N 1 0 362.352 2.930 20 5 FFBDRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000418096371 513369622 /nfs/dbraw/zinc/36/96/22/513369622.db2.gz WZQPAXSLCSVSOX-RISCZKNCSA-N 1 0 374.363 2.930 20 5 FFBDRO C[C@@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC[N@@H+](C2CCC2)C1 ZINC000429409200 513369715 /nfs/dbraw/zinc/36/97/15/513369715.db2.gz OHFTYDAKPQCQPU-OAHLLOKOSA-N 1 0 360.458 2.730 20 5 FFBDRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000418096375 513370275 /nfs/dbraw/zinc/37/02/75/513370275.db2.gz WZQPAXSLCSVSOX-SMDDNHRTSA-N 1 0 374.363 2.930 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N(C)C[C@H]3CCC[N@@H+]3C)cc2[N+](=O)[O-])CC1 ZINC000421699283 513375024 /nfs/dbraw/zinc/37/50/24/513375024.db2.gz AWKCRSPEHXOKGQ-QGZVFWFLSA-N 1 0 374.485 2.997 20 5 FFBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000421710156 513382445 /nfs/dbraw/zinc/38/24/45/513382445.db2.gz JDBMOWFXVOQDKS-HNNXBMFYSA-N 1 0 354.410 2.823 20 5 FFBDRO CC(C)(CO)[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccccc1 ZINC000429721612 513451218 /nfs/dbraw/zinc/45/12/18/513451218.db2.gz KCCYAFNVEMOYLZ-QGZVFWFLSA-N 1 0 357.410 2.543 20 5 FFBDRO C[C@@H](O)C[NH+]1CCC(CN(C)c2ccc([N+](=O)[O-])c3ncccc23)CC1 ZINC000413128864 513466818 /nfs/dbraw/zinc/46/68/18/513466818.db2.gz LBZWHIHNTHHWSC-CQSZACIVSA-N 1 0 358.442 2.672 20 5 FFBDRO CC[NH+](CC)CCOC1CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000434946066 513473421 /nfs/dbraw/zinc/47/34/21/513473421.db2.gz HOMAELIPHBPURC-UHFFFAOYSA-N 1 0 356.854 2.970 20 5 FFBDRO COCC(C)(C)[NH+]1CCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000425277743 513488567 /nfs/dbraw/zinc/48/85/67/513488567.db2.gz IWDPFCRNUSDPAU-UHFFFAOYSA-N 1 0 362.352 2.556 20 5 FFBDRO [NH3+]CCOc1ccc(NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000415942203 513489724 /nfs/dbraw/zinc/48/97/24/513489724.db2.gz AAWXYRXSFYVYPU-UHFFFAOYSA-N 1 0 356.382 2.523 20 5 FFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCc2ccc3c(c2)OCCO3)n1 ZINC000447510923 513493363 /nfs/dbraw/zinc/49/33/63/513493363.db2.gz RBJQYUIPSAWXLE-CVEARBPZSA-N 1 0 372.425 2.879 20 5 FFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]Cc2nncn2-c2ccccc2)n1 ZINC000447538786 513501877 /nfs/dbraw/zinc/50/18/77/513501877.db2.gz DGUCHLQRENMBRF-HOTGVXAUSA-N 1 0 367.413 2.646 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@@H](CO)Cc2ccc(F)cc2)n1 ZINC000447597248 513518360 /nfs/dbraw/zinc/51/83/60/513518360.db2.gz RYXGRAYNFZEDPV-IXDOHACOSA-N 1 0 362.405 2.607 20 5 FFBDRO Cc1cccc(C[C@H](CO)[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000447600127 513518921 /nfs/dbraw/zinc/51/89/21/513518921.db2.gz ZNNUIDYINMQPTB-SQNIBIBYSA-N 1 0 358.442 2.777 20 5 FFBDRO C[C@]1(CNC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CCC[NH2+]C1 ZINC000418553131 513553790 /nfs/dbraw/zinc/55/37/90/513553790.db2.gz VBNMWPFOLUSCLK-APWZRJJASA-N 1 0 360.458 2.874 20 5 FFBDRO C[NH2+]CCN(C)Cc1ccc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000435377157 513569454 /nfs/dbraw/zinc/56/94/54/513569454.db2.gz YNIYXGMZBKUBFI-UHFFFAOYSA-N 1 0 359.426 2.834 20 5 FFBDRO COc1cc(CN(C)[C@@H](C)C[NH3+])c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000435383560 513570664 /nfs/dbraw/zinc/57/06/64/513570664.db2.gz ISUYHQXTNUURMN-AWEZNQCLSA-N 1 0 359.426 2.961 20 5 FFBDRO Cc1ccccc1C1CC([N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C2CC2)C1 ZINC000441461808 513573757 /nfs/dbraw/zinc/57/37/57/513573757.db2.gz HBEJJOCUQNWQBY-GXOAENINSA-N 1 0 370.453 2.871 20 5 FFBDRO COc1cc(CN2CC[C@@H](C[NH3+])C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000435392169 513573810 /nfs/dbraw/zinc/57/38/10/513573810.db2.gz VNKQAEWIDRPDTN-INIZCTEOSA-N 1 0 371.437 2.963 20 5 FFBDRO CC[NH+](CC)CCCNc1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000447806097 513575242 /nfs/dbraw/zinc/57/52/42/513575242.db2.gz LXXTYYCKUBXMQR-UHFFFAOYSA-N 1 0 350.463 2.571 20 5 FFBDRO COC(=O)[C@H](CC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1ccccc1 ZINC000425488067 513595442 /nfs/dbraw/zinc/59/54/42/513595442.db2.gz WNAAYSXTOGDUEQ-QGZVFWFLSA-N 1 0 372.425 2.775 20 5 FFBDRO COc1cc(C[NH2+][C@H](C2CCOCC2)C2(CO)CCC2)ccc1[N+](=O)[O-] ZINC000425547711 513632898 /nfs/dbraw/zinc/63/28/98/513632898.db2.gz TUQQTAUSAPBLRC-GOSISDBHSA-N 1 0 364.442 2.651 20 5 FFBDRO O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000418779178 513653671 /nfs/dbraw/zinc/65/36/71/513653671.db2.gz AZGGBMKKBHMKMG-BZUAXINKSA-N 1 0 358.442 2.657 20 5 FFBDRO O=C(CC[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O)Nc1ccc([N+](=O)[O-])cc1 ZINC000451341703 513687679 /nfs/dbraw/zinc/68/76/79/513687679.db2.gz LLBIFZGBWJZHNF-KSZLIROESA-N 1 0 361.442 2.939 20 5 FFBDRO COc1cc(CN2CCC[C@@H]([C@H](C)[NH3+])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000430598571 513701444 /nfs/dbraw/zinc/70/14/44/513701444.db2.gz TVYVIVWFUQZRIC-WDEREUQCSA-N 1 0 359.373 2.764 20 5 FFBDRO CC1(C)CCC[NH2+][C@H]1CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000430626483 513705959 /nfs/dbraw/zinc/70/59/59/513705959.db2.gz LFGJQJXSWFNSON-KRWDZBQOSA-N 1 0 360.458 2.703 20 5 FFBDRO COc1ccc(NC(=O)C[N@@H+]2C[C@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)c([N+](=O)[O-])c1 ZINC000451373549 513708274 /nfs/dbraw/zinc/70/82/74/513708274.db2.gz RPOMRGYIYSJGTJ-CFLYGVGMSA-N 1 0 357.410 2.686 20 5 FFBDRO Nc1c(F)c(NCC2(O)CC[NH+](Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000413570933 513719531 /nfs/dbraw/zinc/71/95/31/513719531.db2.gz CJJKOTWJKIVFOD-UHFFFAOYSA-N 1 0 374.416 2.755 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000451417261 513737611 /nfs/dbraw/zinc/73/76/11/513737611.db2.gz KYOCQLBIZNWGDC-KBAYOESNSA-N 1 0 361.442 2.857 20 5 FFBDRO CC(C)Oc1cc(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)ccc1[N+](=O)[O-] ZINC000413620308 513737852 /nfs/dbraw/zinc/73/78/52/513737852.db2.gz AASQFCLTQGYJIX-HOTGVXAUSA-N 1 0 361.442 2.938 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000442601601 513743925 /nfs/dbraw/zinc/74/39/25/513743925.db2.gz TXZPXGWJCFHPJX-VXGBXAGGSA-N 1 0 355.822 2.603 20 5 FFBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@H]1Cc1cc(F)ccc1F ZINC000419305571 513769566 /nfs/dbraw/zinc/76/95/66/513769566.db2.gz XEISSUQXQVLSBK-HNNXBMFYSA-N 1 0 363.364 2.742 20 5 FFBDRO CC1(C)[C@H]([NH2+]CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]2CCCO[C@H]21 ZINC000451478243 513774774 /nfs/dbraw/zinc/77/47/74/513774774.db2.gz JROZBAWRSFZSDS-IUIKQTSFSA-N 1 0 367.833 2.980 20 5 FFBDRO Cc1c(NC(=O)[C@H](C)N2CC[NH2+]Cc3ccccc32)cccc1[N+](=O)[O-] ZINC000430927217 513783800 /nfs/dbraw/zinc/78/38/00/513783800.db2.gz PZQQEDGSIBLHSE-AWEZNQCLSA-N 1 0 354.410 2.840 20 5 FFBDRO CC1(C)[C@@H]([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1OCc1ccccc1 ZINC000451489389 513784170 /nfs/dbraw/zinc/78/41/70/513784170.db2.gz DZPNMHQSIZJCOU-ROUUACIJSA-N 1 0 371.437 2.730 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)C[C@H]1C ZINC000416462477 513784536 /nfs/dbraw/zinc/78/45/36/513784536.db2.gz QPQAACDWGBRDMG-HUUCEWRRSA-N 1 0 369.487 2.705 20 5 FFBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H]2[C@H](C)[C@H](OC)C2(C)C)c([N+](=O)[O-])c1 ZINC000451494858 513787585 /nfs/dbraw/zinc/78/75/85/513787585.db2.gz GWTIVXMGQKMPNS-JECHBYEQSA-N 1 0 365.430 2.581 20 5 FFBDRO COCCCC[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000419384437 513795528 /nfs/dbraw/zinc/79/55/28/513795528.db2.gz MPPKQOGMMKNFCC-UHFFFAOYSA-N 1 0 374.235 2.654 20 5 FFBDRO CCOCCCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451549680 513825448 /nfs/dbraw/zinc/82/54/48/513825448.db2.gz QCNRZUDXXDSVGS-DOTOQJQBSA-N 1 0 363.458 2.706 20 5 FFBDRO Cc1c(NC(=O)NC(C)(C)CC[NH3+])cc(Br)cc1[N+](=O)[O-] ZINC000422562862 513844951 /nfs/dbraw/zinc/84/49/51/513844951.db2.gz DFSCSXNVDRKRGT-UHFFFAOYSA-N 1 0 359.224 2.915 20 5 FFBDRO O=C(c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000436426241 513851730 /nfs/dbraw/zinc/85/17/30/513851730.db2.gz BIMBCKGJDDAMOA-ZDUSSCGKSA-N 1 0 365.408 2.741 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2noc(C[NH2+][C@H]([C@@H](CO)C3CC3)C3CC3)n2)c1 ZINC000451590865 513853741 /nfs/dbraw/zinc/85/37/41/513853741.db2.gz NBERCVKNNFKBRG-RDJZCZTQSA-N 1 0 358.398 2.532 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2noc(C[NH2+][C@H]([C@H](CO)C3CC3)C3CC3)n2)cc1 ZINC000451600728 513859337 /nfs/dbraw/zinc/85/93/37/513859337.db2.gz HJPIACYOYCLGSK-WBVHZDCISA-N 1 0 358.398 2.532 20 5 FFBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@H]([C@H](CO)C2CC2)C2CC2)cccc1[N+](=O)[O-] ZINC000451616535 513867785 /nfs/dbraw/zinc/86/77/85/513867785.db2.gz WBSBGKITOAFBFK-PNPHSEOMSA-N 1 0 361.442 2.617 20 5 FFBDRO COc1cc(C(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000448782569 513896417 /nfs/dbraw/zinc/89/64/17/513896417.db2.gz DZBKIESEVRJTKY-JHJVBQTASA-N 1 0 367.421 2.839 20 5 FFBDRO C[NH+](C)C[C@@H]1CCc2ccccc2N1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000436721530 513955849 /nfs/dbraw/zinc/95/58/49/513955849.db2.gz KSRRYVQHERQOCZ-KRWDZBQOSA-N 1 0 369.421 2.883 20 5 FFBDRO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000451777250 513974051 /nfs/dbraw/zinc/97/40/51/513974051.db2.gz VYVYCYNFVZOTJW-GUTXKFCHSA-N 1 0 363.414 2.552 20 5 FFBDRO COc1cc(CCNC(=O)c2ccc([C@H](C)[NH3+])cc2)c([N+](=O)[O-])cc1OC ZINC000422949723 513988103 /nfs/dbraw/zinc/98/81/03/513988103.db2.gz WCPMNQDVTYNRPU-LBPRGKRZSA-N 1 0 373.409 2.604 20 5 FFBDRO CCS(=O)(=O)CCC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000414344372 514058085 /nfs/dbraw/zinc/05/80/85/514058085.db2.gz RKBFAMHYQKUWKH-GDBMZVCRSA-N 1 0 354.472 2.720 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCN(Cc2ccccc2)C1=O ZINC000449109751 514074908 /nfs/dbraw/zinc/07/49/08/514074908.db2.gz YAUUWDQLOPNQIZ-MAUKXSAKSA-N 1 0 353.422 2.917 20 5 FFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000423359325 514116779 /nfs/dbraw/zinc/11/67/79/514116779.db2.gz OWSHIWFLXDGQGK-ZDUSSCGKSA-N 1 0 354.410 2.705 20 5 FFBDRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000420386028 514120459 /nfs/dbraw/zinc/12/04/59/514120459.db2.gz UILVMZZKRCRUEF-WBVHZDCISA-N 1 0 353.850 2.967 20 5 FFBDRO Cn1ccnc1[C@@H](NC[C@@H]1[NH2+]CCCC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000423403171 514130950 /nfs/dbraw/zinc/13/09/50/514130950.db2.gz ZAGDFUXJWYGIRM-IRXDYDNUSA-N 1 0 357.458 2.786 20 5 FFBDRO C[C@@H]1CN(C(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C[C@H]1[NH+](C)C ZINC000444156601 514138664 /nfs/dbraw/zinc/13/86/64/514138664.db2.gz DFUFSVFWDLXSCZ-SJKOYZFVSA-N 1 0 367.424 2.843 20 5 FFBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000449274905 514142531 /nfs/dbraw/zinc/14/25/31/514142531.db2.gz IEFIUHQYPFAGMY-OAQYLSRUSA-N 1 0 367.449 2.965 20 5 FFBDRO Cc1ccc(C[NH2+]CCn2cc(Br)ccc2=O)cc1[N+](=O)[O-] ZINC000449378273 514187367 /nfs/dbraw/zinc/18/73/67/514187367.db2.gz QNJMBNMECQBGKF-UHFFFAOYSA-N 1 0 366.215 2.617 20 5 FFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@H]2CCCCN2CCO)o1 ZINC000449389473 514190890 /nfs/dbraw/zinc/19/08/90/514190890.db2.gz DBYAXXNLNYCIDW-OAHLLOKOSA-N 1 0 359.426 2.791 20 5 FFBDRO C[C@@H]1[C@H]([NH3+])CCN1C(=O)c1cc(F)cc2c1[nH]c1c(F)cccc1c2=O ZINC000423655215 514194356 /nfs/dbraw/zinc/19/43/56/514194356.db2.gz UVSBAGUXMCZTMM-RFAUZJTJSA-N 1 0 357.360 2.521 20 5 FFBDRO CN(c1c(C(N)=O)cccc1[N+](=O)[O-])[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000420606907 514198898 /nfs/dbraw/zinc/19/88/98/514198898.db2.gz YXXPRBSYWUMQIO-MRXNPFEDSA-N 1 0 368.437 2.795 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000414651136 514222125 /nfs/dbraw/zinc/22/21/25/514222125.db2.gz FEPYCSKXPBBCSL-INIZCTEOSA-N 1 0 356.382 2.612 20 5 FFBDRO C[C@@H]1CN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CC[N@@H+](C2CC2)C1 ZINC000452169549 514226441 /nfs/dbraw/zinc/22/64/41/514226441.db2.gz GILCMHNRLPPBJK-NSHDSACASA-N 1 0 369.368 2.753 20 5 FFBDRO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000449507393 514233260 /nfs/dbraw/zinc/23/32/60/514233260.db2.gz FBUAYKQSWAYYAH-WQVCFCJDSA-N 1 0 363.414 2.633 20 5 FFBDRO Cn1cc(C[NH2+][C@H]([C@H](CO)C2CC2)C2CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000449514601 514235424 /nfs/dbraw/zinc/23/54/24/514235424.db2.gz YMCWNQJIOAFORC-QUCCMNQESA-N 1 0 370.453 2.882 20 5 FFBDRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000417226031 514244702 /nfs/dbraw/zinc/24/47/02/514244702.db2.gz KCSHPTASUAWGHO-SFHVURJKSA-N 1 0 356.426 2.699 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@@H]([NH+](C)C)Cc2ccccc21 ZINC000427597522 514261187 /nfs/dbraw/zinc/26/11/87/514261187.db2.gz VPZPOLJDGPXZSX-HNNXBMFYSA-N 1 0 355.394 2.737 20 5 FFBDRO CN(C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)C1CC([NH3+])C1 ZINC000449633840 514275418 /nfs/dbraw/zinc/27/54/18/514275418.db2.gz UYKRWSUEBSMCFD-UHFFFAOYSA-N 1 0 354.410 2.769 20 5 FFBDRO CCOc1cc(NC(=O)N[C@H]2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])cc1OCC ZINC000414753874 514275787 /nfs/dbraw/zinc/27/57/87/514275787.db2.gz FHFQSFISFMKIQH-RYUDHWBXSA-N 1 0 366.418 2.784 20 5 FFBDRO O=C(NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1csc([N+](=O)[O-])c1 ZINC000449645091 514279749 /nfs/dbraw/zinc/27/97/49/514279749.db2.gz IDSRPGORQLDIDU-DZGCQCFKSA-N 1 0 363.414 2.919 20 5 FFBDRO O=C(NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1ccccc1[N+](=O)[O-] ZINC000449648055 514280543 /nfs/dbraw/zinc/28/05/43/514280543.db2.gz RSCRBPBZBFQKMQ-GOEBONIOSA-N 1 0 357.385 2.857 20 5 FFBDRO CCCOc1cc(NC(=O)NCC2C[NH2+]C2)c([N+](=O)[O-])cc1OCCC ZINC000414782729 514290277 /nfs/dbraw/zinc/29/02/77/514290277.db2.gz JDVWXZNLCJSJDA-UHFFFAOYSA-N 1 0 366.418 2.513 20 5 FFBDRO C[C@H]1CCCN(c2ccc(C(=O)N(C)[C@H](C[NH3+])C3CC3)cc2[N+](=O)[O-])C1 ZINC000423947677 514302340 /nfs/dbraw/zinc/30/23/40/514302340.db2.gz KBAFJEXVCHIOPW-SCLBCKFNSA-N 1 0 360.458 2.640 20 5 FFBDRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000424001170 514331235 /nfs/dbraw/zinc/33/12/35/514331235.db2.gz MYQMUMBTFBBILD-GDBMZVCRSA-N 1 0 367.833 2.607 20 5 FFBDRO [NH3+][C@@H]1CCO[C@@H](C2CCN(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])CC2)C1 ZINC000424011995 514339467 /nfs/dbraw/zinc/33/94/67/514339467.db2.gz NYUGXCWTFRWKES-CZUORRHYSA-N 1 0 367.833 2.607 20 5 FFBDRO Cn1ccnc1[C@H](NCC[N@@H+]1CCCC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000449784685 514352346 /nfs/dbraw/zinc/35/23/46/514352346.db2.gz YFMKXFYOAUHOOW-QGZVFWFLSA-N 1 0 357.458 2.882 20 5 FFBDRO [NH3+][C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC[C@H]1c1ccc(F)cc1 ZINC000424039902 514354213 /nfs/dbraw/zinc/35/42/13/514354213.db2.gz DUWWRPMYLRMJSF-WMLDXEAASA-N 1 0 361.348 2.830 20 5 FFBDRO C[C@@H]1C[C@H](C)N(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000424053115 514359366 /nfs/dbraw/zinc/35/93/66/514359366.db2.gz NWJBEPHBSKXYGI-IJEWVQPXSA-N 1 0 360.458 2.640 20 5 FFBDRO C[NH2+]CC1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000414939867 514365033 /nfs/dbraw/zinc/36/50/33/514365033.db2.gz BGCHGFQWDPTNPZ-UHFFFAOYSA-N 1 0 358.345 2.660 20 5 FFBDRO COC[C@@]1(CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCC[NH2+]1 ZINC000414946226 514369469 /nfs/dbraw/zinc/36/94/69/514369469.db2.gz SCWNNXSTOCIBTL-KRWDZBQOSA-N 1 0 362.455 2.577 20 5 FFBDRO COCC(=O)N1CCC([NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000433127399 514392932 /nfs/dbraw/zinc/39/29/32/514392932.db2.gz SJQFJNPPGSXVTR-KRWDZBQOSA-N 1 0 361.442 2.544 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[N@@H+](C3CC3)C[C@@H](C)C2)c1 ZINC000452567246 514405966 /nfs/dbraw/zinc/40/59/66/514405966.db2.gz CARRXPMTNQPWPM-OAHLLOKOSA-N 1 0 361.442 2.615 20 5 FFBDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000449963540 514443524 /nfs/dbraw/zinc/44/35/24/514443524.db2.gz AOULBHQHLBLTQM-MRXNPFEDSA-N 1 0 371.441 2.727 20 5 FFBDRO CC1(C)C[C@H]([NH2+][C@H]2CCN(C3CCOCC3)C2=O)c2cc([N+](=O)[O-])ccc21 ZINC000433286133 514444929 /nfs/dbraw/zinc/44/49/29/514444929.db2.gz NLERNMGGOVNNBK-ROUUACIJSA-N 1 0 373.453 2.687 20 5 FFBDRO Cc1ccc(S(=O)(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000470615178 514550278 /nfs/dbraw/zinc/55/02/78/514550278.db2.gz USRMEGASIZINGR-RBSFLKMASA-N 1 0 369.487 2.548 20 5 FFBDRO CC[C@H]([NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccsc1 ZINC000453141954 514556147 /nfs/dbraw/zinc/55/61/47/514556147.db2.gz JYCFXTIETHTZQG-ZDUSSCGKSA-N 1 0 369.468 2.676 20 5 FFBDRO CC[N@H+](C)Cc1cccc(CNC(=O)c2cccc([N+](=O)[O-])c2OC)c1 ZINC000475126067 514566319 /nfs/dbraw/zinc/56/63/19/514566319.db2.gz ZRKDPDWCZAJQJI-UHFFFAOYSA-N 1 0 357.410 2.985 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@H](O)Cc2cccc(F)c2)n1 ZINC000453226405 514573941 /nfs/dbraw/zinc/57/39/41/514573941.db2.gz XSDFIOQKRKGPHH-IXDOHACOSA-N 1 0 362.405 2.607 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000458155831 514588892 /nfs/dbraw/zinc/58/88/92/514588892.db2.gz AXNFWQYBHQWMEO-OLZOCXBDSA-N 1 0 369.849 2.864 20 5 FFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]Cc2ncnn2-c2ccccc2)n1 ZINC000479464492 514594391 /nfs/dbraw/zinc/59/43/91/514594391.db2.gz OVNHKZJNAAUDKO-CVEARBPZSA-N 1 0 367.413 2.646 20 5 FFBDRO Cn1ccnc1[C@H](NCCCC[N@H+](C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000453405247 514622824 /nfs/dbraw/zinc/62/28/24/514622824.db2.gz QEUUKCSQUMXSSB-GOSISDBHSA-N 1 0 357.458 2.882 20 5 FFBDRO C[C@H]1C[NH+](Cc2ccc(CNc3ccncc3[N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000508228402 514714246 /nfs/dbraw/zinc/71/42/46/514714246.db2.gz AMJLFEGHECZAPY-GJZGRUSLSA-N 1 0 356.426 2.633 20 5 FFBDRO CCNC(=O)C(C)(C)[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000453607365 514720622 /nfs/dbraw/zinc/72/06/22/514720622.db2.gz SLJVFSBRXUCPIF-UHFFFAOYSA-N 1 0 361.398 2.868 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H]1CCCC[C@@H]1n1cccn1 ZINC000484653704 514733027 /nfs/dbraw/zinc/73/30/27/514733027.db2.gz QUPWCFCCCXLBAX-CABCVRRESA-N 1 0 357.414 2.812 20 5 FFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccnc(OCC[NH+](C)C)c1 ZINC000471101934 514752504 /nfs/dbraw/zinc/75/25/04/514752504.db2.gz RQEVVDLXBGDYBP-UHFFFAOYSA-N 1 0 374.397 2.581 20 5 FFBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000479937362 514782526 /nfs/dbraw/zinc/78/25/26/514782526.db2.gz CKDXNMBDWSRFLI-OLZOCXBDSA-N 1 0 369.849 2.816 20 5 FFBDRO CC(C)C[NH+]1CCN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000498485802 514924217 /nfs/dbraw/zinc/92/42/17/514924217.db2.gz PZHZBYLEXVRQHW-UHFFFAOYSA-N 1 0 368.865 2.774 20 5 FFBDRO CC[N@@H+]1C[C@H](C)N(C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000467222028 514945186 /nfs/dbraw/zinc/94/51/86/514945186.db2.gz GMIDNMPSLNUMNG-NEPJUHHUSA-N 1 0 354.838 2.872 20 5 FFBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2Br)C[C@H]1C ZINC000498569551 514975461 /nfs/dbraw/zinc/97/54/61/514975461.db2.gz APAHKWGQNLHEOD-MNOVXSKESA-N 1 0 370.247 2.912 20 5 FFBDRO COc1c(C(=O)N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000476310139 514994165 /nfs/dbraw/zinc/99/41/65/514994165.db2.gz UKMBMLZRWHSLAG-ZBFHGGJFSA-N 1 0 369.421 2.996 20 5 FFBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000485348546 515005920 /nfs/dbraw/zinc/00/59/20/515005920.db2.gz LPGCGDDFLAVHEF-STQMWFEESA-N 1 0 367.471 2.546 20 5 FFBDRO C[NH+](C)CCCC(C)(C)NC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000456199310 515018153 /nfs/dbraw/zinc/01/81/53/515018153.db2.gz SSBDLFISFVDFEX-UHFFFAOYSA-N 1 0 359.430 2.631 20 5 FFBDRO CC(C)(O)C[NH+]1CCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC1 ZINC000485400836 515024008 /nfs/dbraw/zinc/02/40/08/515024008.db2.gz SJXGMBNHQWJZJN-UHFFFAOYSA-N 1 0 374.416 2.689 20 5 FFBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C12CCCCC2 ZINC000503425865 515029675 /nfs/dbraw/zinc/02/96/75/515029675.db2.gz MNTUBUUNJGXYCT-DLBZAZTESA-N 1 0 361.442 2.911 20 5 FFBDRO CCOC[C@H]([NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)C(C)C ZINC000503469717 515045592 /nfs/dbraw/zinc/04/55/92/515045592.db2.gz ZZZZZWKMEGDJTN-AWEZNQCLSA-N 1 0 351.403 2.544 20 5 FFBDRO CC1CC[NH+]([C@@H](CNC(=O)c2cc([N+](=O)[O-])n[nH]2)c2cccs2)CC1 ZINC000503478898 515046853 /nfs/dbraw/zinc/04/68/53/515046853.db2.gz JOPPGXKRWMPWFZ-ZDUSSCGKSA-N 1 0 363.443 2.582 20 5 FFBDRO C[NH+](C)Cc1ccc(CNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)cc1 ZINC000485547993 515084329 /nfs/dbraw/zinc/08/43/29/515084329.db2.gz IUMRPNLADGQDAR-UHFFFAOYSA-N 1 0 363.364 2.794 20 5 FFBDRO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])n2C)CC[N@H+](Cc2ccccc2)C1 ZINC000456325124 515094675 /nfs/dbraw/zinc/09/46/75/515094675.db2.gz FRQJSZKVBMMFDW-HNNXBMFYSA-N 1 0 356.426 2.527 20 5 FFBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000467810749 515131124 /nfs/dbraw/zinc/13/11/24/515131124.db2.gz GPHAXUGSZKJVRF-FZMZJTMJSA-N 1 0 367.833 2.616 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)c1C ZINC000480926160 515138194 /nfs/dbraw/zinc/13/81/94/515138194.db2.gz KNHXXMMNIVDQFS-UONOGXRCSA-N 1 0 369.487 2.753 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N3CC[C@]4(CC[NH2+]C4)C3)cc2[N+](=O)[O-])C1 ZINC000462644287 515168456 /nfs/dbraw/zinc/16/84/56/515168456.db2.gz WXNIHFWEIUAMKP-QRWLVFNGSA-N 1 0 372.469 2.657 20 5 FFBDRO CC(C)[C@H](CNC(=O)COc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(C)CC1 ZINC000509442429 515180320 /nfs/dbraw/zinc/18/03/20/515180320.db2.gz PNGLUSCRHDTVSU-SFHVURJKSA-N 1 0 363.458 2.846 20 5 FFBDRO CNc1c(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cccc1[N+](=O)[O-] ZINC000462781604 515242895 /nfs/dbraw/zinc/24/28/95/515242895.db2.gz YWCUOZMBVPHEBY-CJNGLKHVSA-N 1 0 358.442 2.725 20 5 FFBDRO Cc1c(Br)cc(C(=O)N[C@@H](C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000509632911 515265388 /nfs/dbraw/zinc/26/53/88/515265388.db2.gz IGKSPEKQAJUOIL-VIFPVBQESA-N 1 0 358.236 2.736 20 5 FFBDRO Cc1c(NC(=O)[C@@H](C)N2CC[C@H](C[N@H+](C)CC3CC3)C2)cccc1[N+](=O)[O-] ZINC000472460614 515277808 /nfs/dbraw/zinc/27/78/08/515277808.db2.gz DSOFNTWOFDWORE-NVXWUHKLSA-N 1 0 374.485 2.894 20 5 FFBDRO CC[NH+](CC)CCOCCNC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000481399274 515314882 /nfs/dbraw/zinc/31/48/82/515314882.db2.gz FTAARZIRMDIALR-UHFFFAOYSA-N 1 0 352.435 2.692 20 5 FFBDRO CCOc1cc(NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000486160693 515360645 /nfs/dbraw/zinc/36/06/45/515360645.db2.gz CNCPCZSNYHDDRC-GOSISDBHSA-N 1 0 371.437 2.825 20 5 FFBDRO Cn1nc([N+](=O)[O-])cc1C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000481531946 515366288 /nfs/dbraw/zinc/36/62/88/515366288.db2.gz AFYPVARJWCHYCZ-UHFFFAOYSA-N 1 0 357.414 2.957 20 5 FFBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000468473559 515374334 /nfs/dbraw/zinc/37/43/34/515374334.db2.gz YEIKWWJJYHTLBR-QGZVFWFLSA-N 1 0 358.442 2.855 20 5 FFBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463135234 515379177 /nfs/dbraw/zinc/37/91/77/515379177.db2.gz WBYQMCCWWMJFQQ-NWDGAFQWSA-N 1 0 357.332 2.970 20 5 FFBDRO CC(C)(CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)C[NH+]1CCCC1 ZINC000481562187 515381003 /nfs/dbraw/zinc/38/10/03/515381003.db2.gz AKPNSIMFTZGYNO-UHFFFAOYSA-N 1 0 371.441 2.632 20 5 FFBDRO COCCN1CC[C@H]([NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000492146010 515505359 /nfs/dbraw/zinc/50/53/59/515505359.db2.gz YCINQAZKALPDKW-AZUAARDMSA-N 1 0 355.438 2.995 20 5 FFBDRO CCc1n[nH]c(C(=O)N[C@@H](C)[C@H](c2ccccc2C)[NH+](C)C)c1[N+](=O)[O-] ZINC000510526479 515569203 /nfs/dbraw/zinc/56/92/03/515569203.db2.gz STLIDIBYAUQEKH-BLLLJJGKSA-N 1 0 359.430 2.610 20 5 FFBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2C[C@H](C)[N@H+](CC)C[C@@H]2C)cc1OC ZINC000500124134 515601478 /nfs/dbraw/zinc/60/14/78/515601478.db2.gz UTFVEKWHFGEIJZ-STQMWFEESA-N 1 0 365.430 2.557 20 5 FFBDRO CC(=Cc1cccc([N+](=O)[O-])c1)CNc1ccn(C2CC[NH+](C)CC2)n1 ZINC000486804815 515641359 /nfs/dbraw/zinc/64/13/59/515641359.db2.gz WWIPHLNTHFOXGE-QINSGFPZSA-N 1 0 355.442 2.995 20 5 FFBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000457108680 515655222 /nfs/dbraw/zinc/65/52/22/515655222.db2.gz GDQUANXZHDCIDM-LBPRGKRZSA-N 1 0 370.247 2.912 20 5 FFBDRO C[C@@H]([NH2+]C1(CNc2ccncc2[N+](=O)[O-])CCOCC1)c1ccccc1 ZINC000500418667 515701050 /nfs/dbraw/zinc/70/10/50/515701050.db2.gz GOBWYMRDQIQRSX-OAHLLOKOSA-N 1 0 356.426 2.724 20 5 FFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C ZINC000469204414 515719356 /nfs/dbraw/zinc/71/93/56/515719356.db2.gz YKOVDQZGHYSROZ-MRXNPFEDSA-N 1 0 356.382 2.936 20 5 FFBDRO CN(CCn1ccc([N+](=O)[O-])n1)CC(=O)Nc1c(Cl)cccc1Cl ZINC000478417710 515815164 /nfs/dbraw/zinc/81/51/64/515815164.db2.gz NNWHAZVLEYMGTA-UHFFFAOYSA-N 1 0 372.212 2.669 20 5 FFBDRO COc1ccccc1[C@H]1[C@@H]([NH3+])CCCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000457362065 515828636 /nfs/dbraw/zinc/82/86/36/515828636.db2.gz LTNJFCHRPAZVBL-PXNSSMCTSA-N 1 0 369.421 2.837 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](c2ccc(F)cc2)[C@H]([NH3+])C1 ZINC000457385247 515841323 /nfs/dbraw/zinc/84/13/23/515841323.db2.gz SBPZMMSIFRLHFJ-NVXWUHKLSA-N 1 0 373.384 2.700 20 5 FFBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000494472423 515853801 /nfs/dbraw/zinc/85/38/01/515853801.db2.gz YEBSZAMNXPNFSS-JSGCOSHPSA-N 1 0 354.769 2.741 20 5 FFBDRO C[NH+](C)C1(CNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CCC1 ZINC000474093733 515878196 /nfs/dbraw/zinc/87/81/96/515878196.db2.gz FPIZMKHSVYBFTA-UHFFFAOYSA-N 1 0 360.439 2.932 20 5 FFBDRO Cc1cc(OCC(=O)NC2CC[NH+](C3CC3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000506443821 515883548 /nfs/dbraw/zinc/88/35/48/515883548.db2.gz IKPLLJQUYOHYEZ-UHFFFAOYSA-N 1 0 367.833 2.678 20 5 FFBDRO CC(C)[NH+](CCN(C)CCC(=O)Nc1ccccc1[N+](=O)[O-])C(C)C ZINC000500988672 515928748 /nfs/dbraw/zinc/92/87/48/515928748.db2.gz JMBPNEZZTDUNOG-UHFFFAOYSA-N 1 0 350.463 2.974 20 5 FFBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH2+]C1(CCO)CCCCC1 ZINC000474272190 515964535 /nfs/dbraw/zinc/96/45/35/515964535.db2.gz KNRPMKYKMIMFFQ-UHFFFAOYSA-N 1 0 363.414 2.568 20 5 FFBDRO C[NH+](C)C[C@H]1CCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000501082435 515970418 /nfs/dbraw/zinc/97/04/18/515970418.db2.gz IGWFGRAKUCRMCK-SNVBAGLBSA-N 1 0 371.235 2.773 20 5 FFBDRO C[C@@H]1CC[N@H+](C)CCN1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000501085910 515973357 /nfs/dbraw/zinc/97/33/57/515973357.db2.gz PBNREYXRSXTSGH-SNVBAGLBSA-N 1 0 371.235 2.915 20 5 FFBDRO CCCCOC1CC[NH+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000464857520 515993219 /nfs/dbraw/zinc/99/32/19/515993219.db2.gz UGDYDTGUXFODAX-INIZCTEOSA-N 1 0 352.431 2.616 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+][C@H](C)Cc2cccs2)cc1[N+](=O)[O-] ZINC000474349455 516005117 /nfs/dbraw/zinc/00/51/17/516005117.db2.gz KHNAWMVLMVVVOP-GFCCVEGCSA-N 1 0 364.423 2.929 20 5 FFBDRO CC(C)C[N@@H+]1CC[C@H](CNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C1 ZINC000465053435 516052961 /nfs/dbraw/zinc/05/29/61/516052961.db2.gz LRRDATUMDWYKNV-CQSZACIVSA-N 1 0 360.458 2.877 20 5 FFBDRO O=[N+]([O-])c1cnc2ccccc2c1NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000488116226 516123229 /nfs/dbraw/zinc/12/32/29/516123229.db2.gz NOSQGGLAEAIBBD-MJGOQNOKSA-N 1 0 370.453 2.745 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000501504941 516130474 /nfs/dbraw/zinc/13/04/74/516130474.db2.gz OSDWFBGASOZICW-QWHCGFSZSA-N 1 0 350.419 2.988 20 5 FFBDRO Cc1cc(C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000465355676 516131137 /nfs/dbraw/zinc/13/11/37/516131137.db2.gz CVCKWWZMMBJZMW-UHFFFAOYSA-N 1 0 361.442 2.620 20 5 FFBDRO CC(C)OCC[NH+]1CCC(NC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000470132978 516134415 /nfs/dbraw/zinc/13/44/15/516134415.db2.gz LMYJCKCIKLVDLU-UHFFFAOYSA-N 1 0 368.409 2.745 20 5 FFBDRO C[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C[C@H]1OCCc2ccccc21 ZINC000507243644 516137745 /nfs/dbraw/zinc/13/77/45/516137745.db2.gz RPWMGTOBIXOGDK-YLJYHZDGSA-N 1 0 372.421 2.580 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@H]1C[C@](C)(OC)C1(C)C ZINC000465402477 516142113 /nfs/dbraw/zinc/14/21/13/516142113.db2.gz HRYMPWOIHCOVKP-GYOIFBIXSA-N 1 0 365.430 2.724 20 5 FFBDRO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000470165212 516156846 /nfs/dbraw/zinc/15/68/46/516156846.db2.gz GKJYXNMPDFUDKQ-ZDUSSCGKSA-N 1 0 369.368 2.943 20 5 FFBDRO O=C(CC[N@@H+]1CCc2ccccc2C1)NCCc1cccc([N+](=O)[O-])c1 ZINC000474720787 516169767 /nfs/dbraw/zinc/16/97/67/516169767.db2.gz FBXCHGQBDWVRNA-UHFFFAOYSA-N 1 0 353.422 2.702 20 5 FFBDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000507328430 516173928 /nfs/dbraw/zinc/17/39/28/516173928.db2.gz HPWJBMGIKUKVHC-GFCCVEGCSA-N 1 0 373.450 2.523 20 5 FFBDRO CCN(C(=O)c1cc([N+](=O)[O-])n[nH]1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000507470139 516219117 /nfs/dbraw/zinc/21/91/17/516219117.db2.gz TXTKTYVFQAQGLF-ZFWWWQNUSA-N 1 0 357.414 2.616 20 5 FFBDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000470359790 516219478 /nfs/dbraw/zinc/21/94/78/516219478.db2.gz UCXQFVGZYUKLJB-QGZVFWFLSA-N 1 0 362.474 2.947 20 5 FFBDRO C[NH+](C)[C@H](CNC(=O)NCCc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000465677782 516226261 /nfs/dbraw/zinc/22/62/61/516226261.db2.gz ACXBGHCXMULTSU-GOSISDBHSA-N 1 0 374.416 2.879 20 5 FFBDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000488493298 516239926 /nfs/dbraw/zinc/23/99/26/516239926.db2.gz KZIGGQQFICQZIE-CQSZACIVSA-N 1 0 363.414 2.708 20 5 FFBDRO CCn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)cn1 ZINC000488502735 516242477 /nfs/dbraw/zinc/24/24/77/516242477.db2.gz IIZYAPPALXUFHN-NRXGSXMXSA-N 1 0 371.441 2.790 20 5 FFBDRO CC(C)(C)[C@H]1C[C@@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CS1 ZINC000488568128 516262047 /nfs/dbraw/zinc/26/20/47/516262047.db2.gz ARRKJVLKJPZELF-IUODEOHRSA-N 1 0 372.512 2.878 20 5 FFBDRO O=C(Nc1cccc(C[NH+]2CCC(O)CC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000488669787 516284743 /nfs/dbraw/zinc/28/47/43/516284743.db2.gz BGWASXCMRVWFMV-UHFFFAOYSA-N 1 0 355.394 2.804 20 5 FFBDRO CC[N@H+](CCC1CCN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC1)CC(C)C ZINC000540235766 516487547 /nfs/dbraw/zinc/48/75/47/516487547.db2.gz RLBHVCHCHCKHLR-UHFFFAOYSA-N 1 0 365.478 2.549 20 5 FFBDRO CC[C@@H]([NH3+])CNC(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 ZINC000517935008 516498675 /nfs/dbraw/zinc/49/86/75/516498675.db2.gz IMJCKRMRTSPHHL-LLVKDONJSA-N 1 0 366.468 2.978 20 5 FFBDRO CC[NH+]1CCC(N(C)C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000517938149 516500099 /nfs/dbraw/zinc/50/00/99/516500099.db2.gz VIQLPDWZHSVKRS-UHFFFAOYSA-N 1 0 374.485 2.754 20 5 FFBDRO COc1ccc(C2([NH2+]C[C@@H](O)COc3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000540360080 516525196 /nfs/dbraw/zinc/52/51/96/516525196.db2.gz JJPKZBYLBRJFEB-MRXNPFEDSA-N 1 0 358.394 2.622 20 5 FFBDRO COc1ccc(C2([NH2+]CC(=O)N(C)c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000540360667 516526197 /nfs/dbraw/zinc/52/61/97/516526197.db2.gz VDAKXOYMXVUWFL-UHFFFAOYSA-N 1 0 355.394 2.845 20 5 FFBDRO CC1CC[NH+]([C@@H](CNC(=O)c2c[nH]nc2[N+](=O)[O-])c2ccccc2)CC1 ZINC000547756089 516544296 /nfs/dbraw/zinc/54/42/96/516544296.db2.gz JFOJIIOKROEWRO-INIZCTEOSA-N 1 0 357.414 2.521 20 5 FFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000558024811 516556233 /nfs/dbraw/zinc/55/62/33/516556233.db2.gz HGBIIFBWBIBQFB-IIAWOOMASA-N 1 0 361.442 2.796 20 5 FFBDRO CS(=O)(=O)CC1CCC([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000551165813 516588330 /nfs/dbraw/zinc/58/83/30/516588330.db2.gz IEKSLKFNEWLKIC-UHFFFAOYSA-N 1 0 374.890 2.984 20 5 FFBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000558145443 516614906 /nfs/dbraw/zinc/61/49/06/516614906.db2.gz AJWKZVBSXMSQCM-ROUUACIJSA-N 1 0 371.437 2.934 20 5 FFBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000558145437 516615785 /nfs/dbraw/zinc/61/57/85/516615785.db2.gz AJWKZVBSXMSQCM-MSOLQXFVSA-N 1 0 371.437 2.934 20 5 FFBDRO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cn3)c(C)c2)CC1 ZINC000531887738 516693559 /nfs/dbraw/zinc/69/35/59/516693559.db2.gz PFXWITGPQZKQHP-UHFFFAOYSA-N 1 0 369.425 2.692 20 5 FFBDRO CCc1ccc([C@@H](NC[C@@H](O)C[NH+]2CCCC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000544361027 516723878 /nfs/dbraw/zinc/72/38/78/516723878.db2.gz PBWQYBWJJPXFTI-XLIONFOSSA-N 1 0 373.453 2.886 20 5 FFBDRO CCn1cc([N+](=O)[O-])c(C(=O)N(CC[NH+]2CCCCCC2)C(C)C)n1 ZINC000561709174 516725478 /nfs/dbraw/zinc/72/54/78/516725478.db2.gz WDAIAMKWMOZFFD-UHFFFAOYSA-N 1 0 351.451 2.538 20 5 FFBDRO CSC1(CNC(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])CC[NH+](C)CC1 ZINC000518632698 516730695 /nfs/dbraw/zinc/73/06/95/516730695.db2.gz PIZZOGAHUIGQLI-CYBMUJFWSA-N 1 0 366.487 2.782 20 5 FFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H](O)CCc1ccccc1 ZINC000544374694 516731634 /nfs/dbraw/zinc/73/16/34/516731634.db2.gz AYHANIJYIRIRAG-KXBFYZLASA-N 1 0 371.437 2.895 20 5 FFBDRO Cc1cn2c(n1)[C@@H](C[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)CCC2 ZINC000531988148 516744410 /nfs/dbraw/zinc/74/44/10/516744410.db2.gz DNKZNUGFDDFGKY-UKRRQHHQSA-N 1 0 371.441 2.984 20 5 FFBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000518871144 516802189 /nfs/dbraw/zinc/80/21/89/516802189.db2.gz XBDUBXCKXRNZAR-OAGGEKHMSA-N 1 0 361.442 2.837 20 5 FFBDRO COc1nc(C)cc(C)c1C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000561866811 516807142 /nfs/dbraw/zinc/80/71/42/516807142.db2.gz JZZNCOQSTKVQMB-CQSZACIVSA-N 1 0 357.414 2.697 20 5 FFBDRO CC[N@@H+]1CC[C@H]2OCCN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)[C@H]2C1 ZINC000555207580 516830221 /nfs/dbraw/zinc/83/02/21/516830221.db2.gz KBHHQIXKNJJAMG-ZWKOTPCHSA-N 1 0 368.437 2.956 20 5 FFBDRO CC[C@@H]([NH2+]CC1CCN(S(=O)(=O)CC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000544601967 516832729 /nfs/dbraw/zinc/83/27/29/516832729.db2.gz GCTGTLZUTCPOPD-QGZVFWFLSA-N 1 0 369.487 2.697 20 5 FFBDRO COc1ccc(-c2ccc(C[NH2+][C@@H]3CCC[C@H](C(N)=O)C3)o2)c([N+](=O)[O-])c1 ZINC000532209792 516859460 /nfs/dbraw/zinc/85/94/60/516859460.db2.gz QVIQTZXQXZFUFV-QWHCGFSZSA-N 1 0 373.409 2.997 20 5 FFBDRO COc1ccc(NC(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000541106684 516879025 /nfs/dbraw/zinc/87/90/25/516879025.db2.gz UPAHZQKNWVBKJU-CHWSQXEVSA-N 1 0 350.419 2.845 20 5 FFBDRO CCCC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000544720226 516892967 /nfs/dbraw/zinc/89/29/67/516892967.db2.gz LLRWRMNDVGHDKP-INIZCTEOSA-N 1 0 369.487 2.669 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCC2(C[NH+](C)C)CCCC2)c1C ZINC000544726352 516896998 /nfs/dbraw/zinc/89/69/98/516896998.db2.gz IQRJFISOTRFNAF-UHFFFAOYSA-N 1 0 369.487 2.612 20 5 FFBDRO O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000514198579 516899845 /nfs/dbraw/zinc/89/98/45/516899845.db2.gz DQDSOODIBLEKAV-LBPRGKRZSA-N 1 0 369.368 2.754 20 5 FFBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000514203299 516902540 /nfs/dbraw/zinc/90/25/40/516902540.db2.gz HTDKLSKJVHZYPQ-LBPRGKRZSA-N 1 0 357.357 2.800 20 5 FFBDRO COc1ccc(NC(=O)[C@@H](C)[N@H+](C)CCCOC(C)C)c([N+](=O)[O-])c1 ZINC000562125383 516928534 /nfs/dbraw/zinc/92/85/34/516928534.db2.gz XOBUAKZUNUNUIT-CYBMUJFWSA-N 1 0 353.419 2.677 20 5 FFBDRO O=C1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CN1[C@@H]1C[C@@H]1c1ccccc1 ZINC000525195350 516955991 /nfs/dbraw/zinc/95/59/91/516955991.db2.gz IQNOHZRLWLRMRW-QXAKKESOSA-N 1 0 351.406 2.841 20 5 FFBDRO CC(=O)NC1CCC([N@H+](C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000541313991 516982842 /nfs/dbraw/zinc/98/28/42/516982842.db2.gz SSWIEZJRJZVKPO-UHFFFAOYSA-N 1 0 373.413 2.524 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C[C@H]1C ZINC000525397446 517029398 /nfs/dbraw/zinc/02/93/98/517029398.db2.gz PFNBQKNMEGYWTK-OLZOCXBDSA-N 1 0 372.425 2.793 20 5 FFBDRO CC1=CC[N@H+](CCNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000545162246 517078668 /nfs/dbraw/zinc/07/86/68/517078668.db2.gz AZBFGVWXVBVIJJ-UHFFFAOYSA-N 1 0 355.341 2.578 20 5 FFBDRO CC[C@H]([NH2+][C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C1CCOCC1 ZINC000537220059 517096272 /nfs/dbraw/zinc/09/62/72/517096272.db2.gz MVZFUJIGHYWNKX-DOMZBBRYSA-N 1 0 365.430 2.725 20 5 FFBDRO CC[C@H](C)[NH2+][C@H](CNC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-])c1ccco1 ZINC000519658804 517110752 /nfs/dbraw/zinc/11/07/52/517110752.db2.gz DIDWMDOCUKNRBA-NWDGAFQWSA-N 1 0 363.418 2.894 20 5 FFBDRO CCn1cc([N+](=O)[O-])c(C(=O)N(CC[NH+]2CCCC2)c2ccccc2)n1 ZINC000559196945 517117430 /nfs/dbraw/zinc/11/74/30/517117430.db2.gz NIMOXBORJVXURL-UHFFFAOYSA-N 1 0 357.414 2.554 20 5 FFBDRO CC[C@H]([NH2+]C[C@@H](N1CCOCC1)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000514956328 517142612 /nfs/dbraw/zinc/14/26/12/517142612.db2.gz CNGLEFLHOZKMST-LSDHHAIUSA-N 1 0 361.364 2.899 20 5 FFBDRO C[NH+](C)CCOc1cc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])ccn1 ZINC000537341244 517147649 /nfs/dbraw/zinc/14/76/49/517147649.db2.gz RQDYSDAJTXVEGO-UHFFFAOYSA-N 1 0 364.789 2.836 20 5 FFBDRO CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000515054184 517192224 /nfs/dbraw/zinc/19/22/24/517192224.db2.gz AESOPRGMCGELRB-IEBYYPBYSA-N 1 0 367.471 2.593 20 5 FFBDRO CC[NH+](CC)C[C@H](C)NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000519995181 517256469 /nfs/dbraw/zinc/25/64/69/517256469.db2.gz YBDXRHKOVJKMCY-HNNXBMFYSA-N 1 0 362.474 2.658 20 5 FFBDRO COc1cc(C[NH+]2CCC(OC[C@@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000537610585 517257418 /nfs/dbraw/zinc/25/74/18/517257418.db2.gz SJOUHTYNJFLENR-OAHLLOKOSA-N 1 0 350.415 2.621 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C[C@H]1C ZINC000537618194 517263731 /nfs/dbraw/zinc/26/37/31/517263731.db2.gz PSLKXCJVJROUFU-HIFRSBDPSA-N 1 0 351.447 2.917 20 5 FFBDRO Cc1c(NC(=O)CC[NH2+][C@@H](CO)c2cccc(F)c2)cccc1[N+](=O)[O-] ZINC000541951844 517306411 /nfs/dbraw/zinc/30/64/11/517306411.db2.gz LUHCIACBAIQEQQ-INIZCTEOSA-N 1 0 361.373 2.694 20 5 FFBDRO C[C@@H](C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)S(C)(=O)=O ZINC000533129067 517309453 /nfs/dbraw/zinc/30/94/53/517309453.db2.gz WHZQYQMTCNSIIF-NSHDSACASA-N 1 0 354.453 2.846 20 5 FFBDRO C[C@H](C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)S(C)(=O)=O ZINC000533129066 517309951 /nfs/dbraw/zinc/30/99/51/517309951.db2.gz WHZQYQMTCNSIIF-LLVKDONJSA-N 1 0 354.453 2.846 20 5 FFBDRO CC[NH+]1CCN(CCC(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 ZINC000552741852 517373863 /nfs/dbraw/zinc/37/38/63/517373863.db2.gz LTBCIJVPRXVYBZ-UHFFFAOYSA-N 1 0 362.474 2.858 20 5 FFBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000520421739 517387329 /nfs/dbraw/zinc/38/73/29/517387329.db2.gz AXRUUGOBIWWYFS-BFYDXBDKSA-N 1 0 361.442 2.837 20 5 FFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCC1CCS(=O)(=O)CC1 ZINC000537964001 517418848 /nfs/dbraw/zinc/41/88/48/517418848.db2.gz CHQNDNTTWVQYSK-CQSZACIVSA-N 1 0 354.472 2.720 20 5 FFBDRO C[C@@H](Cc1ccc(Cl)cc1Cl)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000515637130 517430335 /nfs/dbraw/zinc/43/03/35/517430335.db2.gz DHBBGDPGECYNPX-IINYFYTJSA-N 1 0 373.240 2.680 20 5 FFBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000533375911 517432165 /nfs/dbraw/zinc/43/21/65/517432165.db2.gz LQXFJNDPMQBMST-JKIFEVAISA-N 1 0 360.458 2.531 20 5 FFBDRO COc1ccc(NC(=O)C[NH2+][C@H](C)c2ccc3c(c2)OCO3)c([N+](=O)[O-])c1 ZINC000538168745 517491681 /nfs/dbraw/zinc/49/16/81/517491681.db2.gz PEBBDXIUIUXWKP-LLVKDONJSA-N 1 0 373.365 2.621 20 5 FFBDRO COc1ccc(-c2ccc(C[NH2+]CCc3ccn(C)n3)o2)c([N+](=O)[O-])c1 ZINC000546170668 517578970 /nfs/dbraw/zinc/57/89/70/517578970.db2.gz LYOGKGHDCOPEKW-UHFFFAOYSA-N 1 0 356.382 2.929 20 5 FFBDRO Cc1nc2ccccc2n1C[C@H]1CCC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000533760472 517601386 /nfs/dbraw/zinc/60/13/86/517601386.db2.gz BPBMHDHOTFOOSL-CQSZACIVSA-N 1 0 354.414 2.651 20 5 FFBDRO O=C(NC1CC1)N[C@@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000546266019 517620352 /nfs/dbraw/zinc/62/03/52/517620352.db2.gz WZNOYFKRSUHBHV-OAHLLOKOSA-N 1 0 370.409 2.891 20 5 FFBDRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C)C1 ZINC000282505447 517639684 /nfs/dbraw/zinc/63/96/84/517639684.db2.gz PIVPLETXQBGXNS-AWEZNQCLSA-N 1 0 358.446 2.558 20 5 FFBDRO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000563113642 517666896 /nfs/dbraw/zinc/66/68/96/517666896.db2.gz SGINEWXQQNGNDQ-SFHVURJKSA-N 1 0 368.437 2.993 20 5 FFBDRO COc1cccc(C(=O)N(C)CCC[N@H+](C)Cc2ccco2)c1[N+](=O)[O-] ZINC000553403736 517693813 /nfs/dbraw/zinc/69/38/13/517693813.db2.gz ZJYBROURZZFDHK-UHFFFAOYSA-N 1 0 361.398 2.791 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000542744736 517713892 /nfs/dbraw/zinc/71/38/92/517713892.db2.gz IETPOWHUPMYGRC-DZGCQCFKSA-N 1 0 369.487 2.562 20 5 FFBDRO CC(C)Oc1ccc(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000549800553 517714388 /nfs/dbraw/zinc/71/43/88/517714388.db2.gz RBLZDCLXCHNNGT-QGZVFWFLSA-N 1 0 360.410 2.912 20 5 FFBDRO C[C@H]1CCCC[N@@H+]1CCN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000556874432 517720283 /nfs/dbraw/zinc/72/02/83/517720283.db2.gz JUNQNMJRQSMPFS-MAUKXSAKSA-N 1 0 357.458 2.882 20 5 FFBDRO CC[NH+](CC)[C@H]1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000546563984 517726000 /nfs/dbraw/zinc/72/60/00/517726000.db2.gz LQBSLXCOEVDROQ-AWEZNQCLSA-N 1 0 351.422 2.954 20 5 FFBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)CCC[N@H+](C)Cc1ccco1 ZINC000556882774 517727129 /nfs/dbraw/zinc/72/71/29/517727129.db2.gz CRSGCBJLHLNRHD-OAHLLOKOSA-N 1 0 374.441 2.969 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H]2CC=C(c3ccc(F)cc3)CC2)c1 ZINC000521428244 517727126 /nfs/dbraw/zinc/72/71/26/517727126.db2.gz CFJXRLIOJMZWHK-WMZOPIPTSA-N 1 0 360.389 2.517 20 5 FFBDRO Cc1cccc(OC[C@H](C)[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000516562953 517744273 /nfs/dbraw/zinc/74/42/73/517744273.db2.gz KJGIAQZLALVFEY-DOTOQJQBSA-N 1 0 360.410 2.700 20 5 FFBDRO C[C@H](CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)C[NH+]1CCCCC1 ZINC000521493370 517755203 /nfs/dbraw/zinc/75/52/03/517755203.db2.gz BEBCXMUBQSNFDR-OAHLLOKOSA-N 1 0 371.441 2.632 20 5 FFBDRO C[C@H](CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)[N@@H+]1CCC[C@H](C)C1 ZINC000521533254 517765663 /nfs/dbraw/zinc/76/56/63/517765663.db2.gz SHXOTTZEGUEUEF-LSDHHAIUSA-N 1 0 358.442 2.786 20 5 FFBDRO NC(=O)C1CCC([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000522212579 518036255 /nfs/dbraw/zinc/03/62/55/518036255.db2.gz LWJXTEIRRRGMKL-UHFFFAOYSA-N 1 0 360.439 2.852 20 5 FFBDRO CCN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)[C@@H](C)C1 ZINC000557525882 518053450 /nfs/dbraw/zinc/05/34/50/518053450.db2.gz AGZQOVNWFOAIQL-JTQLQIEISA-N 1 0 356.220 2.524 20 5 FFBDRO C[C@@H]1C[C@H]1N1C[C@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1=O ZINC000539515092 518085644 /nfs/dbraw/zinc/08/56/44/518085644.db2.gz GHHIVNKGBZVCBW-SUYBPPKGSA-N 1 0 355.394 2.954 20 5 FFBDRO O=[N+]([O-])c1ccc2ccnc(N3CCC[C@@H]([NH+]4CCOCC4)CC3)c2c1 ZINC000517247741 518088627 /nfs/dbraw/zinc/08/86/27/518088627.db2.gz RUORCZZVKADDRI-MRXNPFEDSA-N 1 0 356.426 2.834 20 5 FFBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)c3c([N+](=O)[O-])cccc3C(F)(F)F)C2)C1 ZINC000563733602 518097092 /nfs/dbraw/zinc/09/70/92/518097092.db2.gz ODVIAVSIKKVCGB-HNNXBMFYSA-N 1 0 357.332 2.781 20 5 FFBDRO COc1ccc(C[NH2+][C@@H]2CC(=O)N(Cc3ccccc3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000547372370 518108842 /nfs/dbraw/zinc/10/88/42/518108842.db2.gz CZLSJSRJLMUMTC-RHSMWYFYSA-N 1 0 369.421 2.883 20 5 FFBDRO CCCC[C@H](C)[C@H](C)[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000517427705 518146136 /nfs/dbraw/zinc/14/61/36/518146136.db2.gz DCYPUJMRTWYSRE-KBPBESRZSA-N 1 0 357.476 2.678 20 5 FFBDRO C[NH+](C)CCOCCNC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000539747060 518153691 /nfs/dbraw/zinc/15/36/91/518153691.db2.gz QGGDZCUHGJAHGY-UHFFFAOYSA-N 1 0 373.409 2.695 20 5 FFBDRO CN(C)[C@@H](C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000578521681 518250535 /nfs/dbraw/zinc/25/05/35/518250535.db2.gz HPMBKJBOAFYVNT-SFHVURJKSA-N 1 0 374.416 2.955 20 5 FFBDRO O=C1C[C@@H](C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CN1C1CC1 ZINC000578540226 518258292 /nfs/dbraw/zinc/25/82/92/518258292.db2.gz REVOXOWVSJPKOZ-ZDUSSCGKSA-N 1 0 355.394 2.955 20 5 FFBDRO CC(C)[NH+]1CCC(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000581580081 518354321 /nfs/dbraw/zinc/35/43/21/518354321.db2.gz FRIILEARNCMXIG-UHFFFAOYSA-N 1 0 358.442 2.855 20 5 FFBDRO COc1ccc2c(c1)OC[C@H]([NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)C2 ZINC000584477321 518360999 /nfs/dbraw/zinc/36/09/99/518360999.db2.gz NHIPHGSZJCBJPS-HYVNUMGLSA-N 1 0 372.425 2.877 20 5 FFBDRO COc1ccncc1CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000581744409 518434488 /nfs/dbraw/zinc/43/44/88/518434488.db2.gz RTZMVYYEEQURSQ-UHFFFAOYSA-N 1 0 353.281 2.530 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CCc1cc2ccccc2o1 ZINC000584834708 518500764 /nfs/dbraw/zinc/50/07/64/518500764.db2.gz WFKLQSCAJWVZBN-HNNXBMFYSA-N 1 0 356.378 2.913 20 5 FFBDRO C[C@]1(NC(=O)Cc2ccc([N+](=O)[O-])cc2)CC[N@H+](Cc2ccccc2)C1 ZINC000573124999 518520219 /nfs/dbraw/zinc/52/02/19/518520219.db2.gz RVRMEBXUTFEBRQ-FQEVSTJZSA-N 1 0 353.422 2.918 20 5 FFBDRO O=C(CC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)Nc1ccccc1 ZINC000581983126 518529802 /nfs/dbraw/zinc/52/98/02/518529802.db2.gz XLTMRGNAFXEBLF-HOTGVXAUSA-N 1 0 357.414 2.893 20 5 FFBDRO CN1CCO[C@H]2CC[N@H+](Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)C[C@H]21 ZINC000585767621 518590670 /nfs/dbraw/zinc/59/06/70/518590670.db2.gz RBFJXEREKWLYBA-MJGOQNOKSA-N 1 0 357.410 2.760 20 5 FFBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000573284328 518591885 /nfs/dbraw/zinc/59/18/85/518591885.db2.gz VAEKBBMKLSLNFD-OAHLLOKOSA-N 1 0 355.385 2.652 20 5 FFBDRO O=[N+]([O-])c1cccc(Cl)c1C[NH2+][C@H]1CCCC[C@@H]1N1CCOCC1 ZINC000573286426 518592058 /nfs/dbraw/zinc/59/20/58/518592058.db2.gz BOLLBFZRRDUEPC-RDJZCZTQSA-N 1 0 353.850 2.981 20 5 FFBDRO CC(C)C[C@@H](CN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000582137956 518606282 /nfs/dbraw/zinc/60/62/82/518606282.db2.gz NDABLOJDKGMBLD-ROUUACIJSA-N 1 0 359.474 2.984 20 5 FFBDRO COc1cc(C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)c([N+](=O)[O-])cc1F ZINC000564775841 518608956 /nfs/dbraw/zinc/60/89/56/518608956.db2.gz SJIFEPAPWBGMGC-UHFFFAOYSA-N 1 0 353.394 2.689 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](CO)c1ccccc1C ZINC000576485592 518616585 /nfs/dbraw/zinc/61/65/85/518616585.db2.gz MMAFACAUYHFDOM-QGZVFWFLSA-N 1 0 373.409 2.564 20 5 FFBDRO CN(CCc1ccccc1[N+](=O)[O-])C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000586773223 518637319 /nfs/dbraw/zinc/63/73/19/518637319.db2.gz JKPVVXOZEJHRPQ-IBGZPJMESA-N 1 0 357.454 2.562 20 5 FFBDRO C[C@H]1CN(c2ccccc2C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000582346047 518707851 /nfs/dbraw/zinc/70/78/51/518707851.db2.gz ISYWDRBKYCANHL-INIZCTEOSA-N 1 0 371.437 2.989 20 5 FFBDRO CCOc1ccc(C(=O)NC[C@@H]2[NH2+]CCc3ccccc32)cc1[N+](=O)[O-] ZINC000576696577 518718026 /nfs/dbraw/zinc/71/80/26/518718026.db2.gz UZAJRPZEDIFNDS-INIZCTEOSA-N 1 0 355.394 2.610 20 5 FFBDRO C[C@H](Cn1ncc2ccccc2c1=O)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000582430558 518750992 /nfs/dbraw/zinc/75/09/92/518750992.db2.gz APEDBVOPAMMAQO-ACJLOTCBSA-N 1 0 364.405 2.970 20 5 FFBDRO CCC(CC)[C@@H]1C[C@@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000570795300 518784125 /nfs/dbraw/zinc/78/41/25/518784125.db2.gz WHPHGSBEIXPVJD-BXWFABGCSA-N 1 0 366.458 2.908 20 5 FFBDRO CC1(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)Cc2ccccc2C1 ZINC000570836428 518803632 /nfs/dbraw/zinc/80/36/32/518803632.db2.gz HQCRSHNORMTIDB-SFHVURJKSA-N 1 0 356.422 2.729 20 5 FFBDRO CCn1c(C)nc([N+](=O)[O-])c1NCc1cccc(CN2CCO[C@H](C)C2)c1 ZINC000570847139 518809710 /nfs/dbraw/zinc/80/97/10/518809710.db2.gz XMROLJVSEYKOMH-CQSZACIVSA-N 1 0 373.457 2.952 20 5 FFBDRO CS(=O)(=O)Nc1ccc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000565219324 518849373 /nfs/dbraw/zinc/84/93/73/518849373.db2.gz WLLHTHVZUZCIJB-INIZCTEOSA-N 1 0 361.423 2.743 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC[C@@]2(CCS(=O)(=O)C2)C1 ZINC000579797976 518855095 /nfs/dbraw/zinc/85/50/95/518855095.db2.gz WECFTDJJZUEZMA-RHSMWYFYSA-N 1 0 352.456 2.865 20 5 FFBDRO COc1cccc([C@@H]2C[C@H]2C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000579824846 518874100 /nfs/dbraw/zinc/87/41/00/518874100.db2.gz WSDILRJGXARWSH-JZXOWHBKSA-N 1 0 372.421 2.736 20 5 FFBDRO C[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(F)c2ccccc21 ZINC000588972896 518885539 /nfs/dbraw/zinc/88/55/39/518885539.db2.gz QZAIUWIGCWKYEA-OCCSQVGLSA-N 1 0 358.373 2.795 20 5 FFBDRO CCC[C@H]1C[NH2+]CCN1C(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000571047528 518902685 /nfs/dbraw/zinc/90/26/85/518902685.db2.gz BREZUCBQEJYMAC-YPMHNXCESA-N 1 0 355.822 2.616 20 5 FFBDRO C[C@@H]1Oc2cc(F)ccc2[C@H]1[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000577099464 518913371 /nfs/dbraw/zinc/91/33/71/518913371.db2.gz AFDRWEHWZNQOJR-MIUNTBIASA-N 1 0 362.357 2.585 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000582807916 518932129 /nfs/dbraw/zinc/93/21/29/518932129.db2.gz MGJINXAHSZODNP-BDJLRTHQSA-N 1 0 355.385 2.604 20 5 FFBDRO Cc1csc([C@@H](C)C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000571159390 518956009 /nfs/dbraw/zinc/95/60/09/518956009.db2.gz JORLQGJWHCZOMJ-NSHDSACASA-N 1 0 369.468 2.527 20 5 FFBDRO COCc1nc(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cs1 ZINC000565568808 519021377 /nfs/dbraw/zinc/02/13/77/519021377.db2.gz NLKTZYTZCYBNPN-QWHCGFSZSA-N 1 0 351.432 2.668 20 5 FFBDRO CCOc1cc(NC(=O)N2CCC[C@@H](C[NH3+])C2)c([N+](=O)[O-])cc1OCC ZINC000571295662 519024645 /nfs/dbraw/zinc/02/46/45/519024645.db2.gz PKYBUAAUQVCROZ-LBPRGKRZSA-N 1 0 366.418 2.595 20 5 FFBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000590158197 519164855 /nfs/dbraw/zinc/16/48/55/519164855.db2.gz FTMVXKVELBDBID-WDEREUQCSA-N 1 0 357.332 2.970 20 5 FFBDRO CC(C)Oc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])[nH]2)[NH+](C)C)cc1 ZINC000577672935 519196050 /nfs/dbraw/zinc/19/60/50/519196050.db2.gz BCGHNQUAYHPPAR-MRXNPFEDSA-N 1 0 360.414 2.743 20 5 FFBDRO CCOc1ccc([C@@H]2C[C@H]2[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000583436508 519247196 /nfs/dbraw/zinc/24/71/96/519247196.db2.gz KSJFOLZQVXLFCD-LSTHTHJFSA-N 1 0 372.421 2.879 20 5 FFBDRO Cc1ccc(C)c(OC[C@@H](O)C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000574632283 519251851 /nfs/dbraw/zinc/25/18/51/519251851.db2.gz RDFPRMLUXYYAKJ-KRWDZBQOSA-N 1 0 360.410 2.620 20 5 FFBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000566042126 519258943 /nfs/dbraw/zinc/25/89/43/519258943.db2.gz QUBHSAYVXBEVNT-CYBMUJFWSA-N 1 0 352.435 2.523 20 5 FFBDRO C[C@H]1C[C@H](C)CN(c2ccc(C(=O)NC3CC([NH+](C)C)C3)cc2[N+](=O)[O-])C1 ZINC000590542027 519261240 /nfs/dbraw/zinc/26/12/40/519261240.db2.gz XDBFZBSXCABKHG-JCAIJIATSA-N 1 0 374.485 2.900 20 5 FFBDRO COC(=O)c1ccnc(NCc2ccccc2C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000590571884 519270662 /nfs/dbraw/zinc/27/06/62/519270662.db2.gz KJMVUJAWSKOXCI-UHFFFAOYSA-N 1 0 370.409 2.984 20 5 FFBDRO COC(=O)c1ccnc(NC[C@@H](c2ccc(C)cc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000590575866 519272063 /nfs/dbraw/zinc/27/20/63/519272063.db2.gz WPBWYZXKGDWDNK-HNNXBMFYSA-N 1 0 358.398 2.800 20 5 FFBDRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000583538388 519299124 /nfs/dbraw/zinc/29/91/24/519299124.db2.gz OCWPQTJDNZZYGI-ZDUSSCGKSA-N 1 0 361.446 2.647 20 5 FFBDRO O=[N+]([O-])c1cc2c(cc1C[NH+]1CCC3(CCC(O)CC3)CC1)OCCO2 ZINC000590654633 519304346 /nfs/dbraw/zinc/30/43/46/519304346.db2.gz AHFSWOVRJKZROQ-UHFFFAOYSA-N 1 0 362.426 2.883 20 5 FFBDRO C[C@@H](C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1c(Cl)cccc1Cl ZINC000566109911 519305916 /nfs/dbraw/zinc/30/59/16/519305916.db2.gz FBCVHVINGXEDNV-CMPLNLGQSA-N 1 0 373.240 2.852 20 5 FFBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000590669320 519308854 /nfs/dbraw/zinc/30/88/54/519308854.db2.gz DOVBQLKAUWOFCU-CQSZACIVSA-N 1 0 357.414 2.589 20 5 FFBDRO C[NH+](C)CCc1ccccc1NC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000574750754 519313221 /nfs/dbraw/zinc/31/32/21/519313221.db2.gz BDICRYMWOCICLD-KRWDZBQOSA-N 1 0 359.426 2.551 20 5 FFBDRO O=C(CC[NH2+][C@@H]1CCN(c2ccc(F)cc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000568990415 519320360 /nfs/dbraw/zinc/32/03/60/519320360.db2.gz CXSKLEVNCPRCMX-OAHLLOKOSA-N 1 0 372.400 2.931 20 5 FFBDRO CC[C@@H](C)[NH2+][C@H](CNC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000583653867 519360042 /nfs/dbraw/zinc/36/00/42/519360042.db2.gz NZXKMVRGDLHWLE-CZUORRHYSA-N 1 0 361.398 2.812 20 5 FFBDRO C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C[N@@H+]1C1CC1 ZINC000583666819 519366959 /nfs/dbraw/zinc/36/69/59/519366959.db2.gz SQXBXSHQHPQYIB-UKRRQHHQSA-N 1 0 358.442 2.868 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@@H]2CCCN(c3ccccc3)C2)c1 ZINC000578006541 519367590 /nfs/dbraw/zinc/36/75/90/519367590.db2.gz IYKOCWNGOKHQEV-APWZRJJASA-N 1 0 371.437 2.593 20 5 FFBDRO C[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H](O)Cc1ccccc1 ZINC000566233085 519383697 /nfs/dbraw/zinc/38/36/97/519383697.db2.gz XREHEMHTKLQQMS-KDOFPFPSSA-N 1 0 357.410 2.505 20 5 FFBDRO Cc1ccc(NCCCNC(=O)[C@@H]2C[NH2+]Cc3ccccc32)c([N+](=O)[O-])c1 ZINC000569118021 519387997 /nfs/dbraw/zinc/38/79/97/519387997.db2.gz NCDJDLOYTIFIBU-QGZVFWFLSA-N 1 0 368.437 2.708 20 5 FFBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)CC[C@H]1C ZINC000569147010 519400408 /nfs/dbraw/zinc/40/04/08/519400408.db2.gz SUKFUKWRWJXBED-SNVBAGLBSA-N 1 0 370.247 2.832 20 5 FFBDRO CC[C@H]1C[C@@H](C[NH+]2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)CCO1 ZINC000572066662 519425367 /nfs/dbraw/zinc/42/53/67/519425367.db2.gz JJXDRXCDDYWVAJ-HOTGVXAUSA-N 1 0 361.442 2.558 20 5 FFBDRO Cc1cccc(OC[C@@H](O)C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)c1 ZINC000575117449 519510314 /nfs/dbraw/zinc/51/03/14/519510314.db2.gz ORBOWRFEGVTTIR-KRWDZBQOSA-N 1 0 369.421 2.957 20 5 FFBDRO CCn1c(C)nc([N+](=O)[O-])c1NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000575154486 519529270 /nfs/dbraw/zinc/52/92/70/519529270.db2.gz YZVVQUWISQRHLR-UHFFFAOYSA-N 1 0 372.473 2.744 20 5 FFBDRO O=[N+]([O-])c1cnc(NC2CC[NH+]([C@@H]3CCOC3)CC2)c(C(F)(F)F)c1 ZINC000591150683 519530002 /nfs/dbraw/zinc/53/00/02/519530002.db2.gz MQDSMDLKHPFBOT-LLVKDONJSA-N 1 0 360.336 2.674 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@H](C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000602848463 519925050 /nfs/dbraw/zinc/92/50/50/519925050.db2.gz VNCCRDVNUCOIGI-GXTWGEPZSA-N 1 0 352.435 2.542 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H](c2cccnc2)C1 ZINC000602856889 519929282 /nfs/dbraw/zinc/92/92/82/519929282.db2.gz STXWIYJJNHQBLB-IRXDYDNUSA-N 1 0 357.410 2.609 20 5 FFBDRO CCC(C)(C)[NH+]1CCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)CC1 ZINC000594389450 519934041 /nfs/dbraw/zinc/93/40/41/519934041.db2.gz IJMGYLXFANFNFQ-UHFFFAOYSA-N 1 0 371.441 2.931 20 5 FFBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]C[C@H]1CC13CCSCC3)OCCO2 ZINC000591504083 519934311 /nfs/dbraw/zinc/93/43/11/519934311.db2.gz AIQFTCMQCGMYNJ-CYBMUJFWSA-N 1 0 350.440 2.989 20 5 FFBDRO C[C@@H]1CC[C@H](NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C[NH2+]1 ZINC000599917202 519949269 /nfs/dbraw/zinc/94/92/69/519949269.db2.gz HCNJNWCFQMAFQX-SKDRFNHKSA-N 1 0 360.336 2.553 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC=C(c2cnn(C)c2)C1 ZINC000602888866 519950987 /nfs/dbraw/zinc/95/09/87/519950987.db2.gz TUPCMEJNTXHJPN-UHFFFAOYSA-N 1 0 369.425 2.755 20 5 FFBDRO O=[N+]([O-])c1ccccc1OCC[NH2+][C@@H](c1ccncc1)C1(CO)CCC1 ZINC000602903929 519963339 /nfs/dbraw/zinc/96/33/39/519963339.db2.gz SVRJODJNHGBJMH-SFHVURJKSA-N 1 0 357.410 2.862 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c(Cl)c1 ZINC000594483203 519992791 /nfs/dbraw/zinc/99/27/91/519992791.db2.gz CVLWAUGWVTYTPD-ZIAGYGMSSA-N 1 0 373.862 2.543 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])cc1SC ZINC000591676382 519994754 /nfs/dbraw/zinc/99/47/54/519994754.db2.gz OFWUBWQXGZIUSQ-ZWNOBZJWSA-N 1 0 353.444 2.525 20 5 FFBDRO C[C@](CO)([NH2+]C[C@@H](O)Cc1cccc(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000602963652 519996239 /nfs/dbraw/zinc/99/62/39/519996239.db2.gz YAJVPHFASGFBSV-ZWKOTPCHSA-N 1 0 364.829 2.649 20 5 FFBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000591684160 519997390 /nfs/dbraw/zinc/99/73/90/519997390.db2.gz WJZGUJUVCFQUAL-KRWDZBQOSA-N 1 0 357.435 2.690 20 5 FFBDRO O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000591686222 519998515 /nfs/dbraw/zinc/99/85/15/519998515.db2.gz VMFCZCPJDHYWBT-ZFWWWQNUSA-N 1 0 358.373 2.768 20 5 FFBDRO Cc1c(NC(=O)CC[N@@H+]2CC[C@H](O)[C@@H]3CCCC[C@@H]32)cccc1[N+](=O)[O-] ZINC000602997802 520012782 /nfs/dbraw/zinc/01/27/82/520012782.db2.gz RCABYIWXZAOPDW-JLSDUUJJSA-N 1 0 361.442 2.857 20 5 FFBDRO CC(C)(C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000591753797 520023265 /nfs/dbraw/zinc/02/32/65/520023265.db2.gz KSQLFDMKHVULCQ-WMLDXEAASA-N 1 0 352.431 2.519 20 5 FFBDRO Cc1ccsc1CC[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000591758251 520024740 /nfs/dbraw/zinc/02/47/40/520024740.db2.gz MECHSZLBOKWGLD-UHFFFAOYSA-N 1 0 354.453 2.571 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C1CC(OCc2ccccc2)C1 ZINC000591760901 520026576 /nfs/dbraw/zinc/02/65/76/520026576.db2.gz XDOIHULRBNWWFM-ADKAHSJRSA-N 1 0 372.421 2.672 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CCc1ccc2[nH]ccc2c1 ZINC000591765332 520027656 /nfs/dbraw/zinc/02/76/56/520027656.db2.gz RCYBOVGTCCDKPC-INIZCTEOSA-N 1 0 355.394 2.648 20 5 FFBDRO Cc1ccc(OC[C@H](O)C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1 ZINC000591767830 520030870 /nfs/dbraw/zinc/03/08/70/520030870.db2.gz ZXWMUYGLPFPHOS-QGZVFWFLSA-N 1 0 369.421 2.957 20 5 FFBDRO CCOC(=O)Cc1ccc(NC[C@]2([NH+](C)C)CCSC2)c([N+](=O)[O-])c1 ZINC000591919400 520086326 /nfs/dbraw/zinc/08/63/26/520086326.db2.gz ZBQWEXCRDDUEOD-QGZVFWFLSA-N 1 0 367.471 2.550 20 5 FFBDRO CCn1ccc(C[N@H+](C)Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)c1 ZINC000616737772 520114382 /nfs/dbraw/zinc/11/43/82/520114382.db2.gz VXQFSXFUJBVXGQ-UHFFFAOYSA-N 1 0 361.398 2.600 20 5 FFBDRO O=C(CCNc1ccccc1[N+](=O)[O-])Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000608900078 520157402 /nfs/dbraw/zinc/15/74/02/520157402.db2.gz HRHLXLKFOBFLLU-UHFFFAOYSA-N 1 0 352.354 2.616 20 5 FFBDRO Cc1cccc(N2CC[NH+](CCCCNc3ccncc3[N+](=O)[O-])CC2)c1 ZINC000608972713 520170392 /nfs/dbraw/zinc/17/03/92/520170392.db2.gz AYUVZTLNPDGPMO-UHFFFAOYSA-N 1 0 369.469 2.734 20 5 FFBDRO COc1ccc(CC(=O)NCC2([NH+](C)C)CCCCCC2)cc1[N+](=O)[O-] ZINC000609016723 520178917 /nfs/dbraw/zinc/17/89/17/520178917.db2.gz FJYYXAMGLGETIO-UHFFFAOYSA-N 1 0 363.458 2.917 20 5 FFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000600311283 520197807 /nfs/dbraw/zinc/19/78/07/520197807.db2.gz ONCJQALHURYYPL-ZIAGYGMSSA-N 1 0 351.472 2.924 20 5 FFBDRO CC(C)[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000592154452 520231234 /nfs/dbraw/zinc/23/12/34/520231234.db2.gz RQJULCSYXGEFBE-SFHVURJKSA-N 1 0 357.458 2.776 20 5 FFBDRO COc1ccc(C[NH2+]C/C=C/CO)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000594974929 520235698 /nfs/dbraw/zinc/23/56/98/520235698.db2.gz NZSLXVUJGYIIFA-NSCUHMNNSA-N 1 0 358.394 2.821 20 5 FFBDRO COc1cc(C[NH2+]C[C@@H](O)[C@@H](C)c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000595000872 520251095 /nfs/dbraw/zinc/25/10/95/520251095.db2.gz ODXMOMVTVMLSHC-SUMWQHHRSA-N 1 0 360.410 2.866 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H](O)COc1ccc(F)cc1 ZINC000595017240 520258876 /nfs/dbraw/zinc/25/88/76/520258876.db2.gz KVWGZBOESGVMTA-WFASDCNBSA-N 1 0 364.373 2.833 20 5 FFBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000600470724 520280003 /nfs/dbraw/zinc/28/00/03/520280003.db2.gz IEPLCQXHPGDDRJ-KRWDZBQOSA-N 1 0 356.426 2.683 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000597859762 520286707 /nfs/dbraw/zinc/28/67/07/520286707.db2.gz HGCDQRZCIGYINO-CQSZACIVSA-N 1 0 371.441 2.631 20 5 FFBDRO COc1ccc(CSCc2nc([C@@H]3CCC[NH2+]3)no2)cc1[N+](=O)[O-] ZINC000592357148 520348125 /nfs/dbraw/zinc/34/81/25/520348125.db2.gz REDQQSIAXROVOH-NSHDSACASA-N 1 0 350.400 2.844 20 5 FFBDRO CC[C@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)C(=O)NCc1cccs1 ZINC000592374475 520356758 /nfs/dbraw/zinc/35/67/58/520356758.db2.gz JKXLJYMOFFTWBP-AWEZNQCLSA-N 1 0 363.439 2.850 20 5 FFBDRO C[C@H](CCNC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1)[NH+](C)C ZINC000597994576 520366395 /nfs/dbraw/zinc/36/63/95/520366395.db2.gz BVKIULRLRIEXON-LSDHHAIUSA-N 1 0 362.474 2.901 20 5 FFBDRO COc1cc(C(=O)N2CCC[C@@H](C)[C@H]2CCC[NH3+])c([N+](=O)[O-])cc1OC ZINC000595258518 520376774 /nfs/dbraw/zinc/37/67/74/520376774.db2.gz PEWULHSOYPYIFE-TZMCWYRMSA-N 1 0 365.430 2.592 20 5 FFBDRO C[C@H](O)[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1F ZINC000592431059 520387191 /nfs/dbraw/zinc/38/71/91/520387191.db2.gz KXSNBVZMOUSHGH-KPZWWZAWSA-N 1 0 361.373 2.774 20 5 FFBDRO CC[C@H]1CN(Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000592427617 520388503 /nfs/dbraw/zinc/38/85/03/520388503.db2.gz HWYPGLPDMPHNLI-WCQYABFASA-N 1 0 373.400 2.807 20 5 FFBDRO CCN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)[C@H]1CC[N@H+](CC)C1 ZINC000598042841 520391006 /nfs/dbraw/zinc/39/10/06/520391006.db2.gz YWLLCJAEDMOUEE-ZDUSSCGKSA-N 1 0 370.247 2.914 20 5 FFBDRO CC[NH+](CC)CCNC(=O)c1ccc(Oc2ccncc2[N+](=O)[O-])cc1 ZINC000609675106 520403054 /nfs/dbraw/zinc/40/30/54/520403054.db2.gz VVYRAIYWASQWFB-UHFFFAOYSA-N 1 0 358.398 2.854 20 5 FFBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H](c1cccc(OC)c1)[NH+](C)C ZINC000603929488 520406684 /nfs/dbraw/zinc/40/66/84/520406684.db2.gz MKOYHGQNFOEZIF-SFHVURJKSA-N 1 0 372.425 2.678 20 5 FFBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H](c1ccccc1OC)[NH+](C)C ZINC000603928609 520407211 /nfs/dbraw/zinc/40/72/11/520407211.db2.gz GPKSDPJZKNPFBJ-QGZVFWFLSA-N 1 0 372.425 2.678 20 5 FFBDRO Cc1c(NC(=O)CCN2CCc3ccccc3[C@@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000592494840 520417659 /nfs/dbraw/zinc/41/76/59/520417659.db2.gz ABNMEDTZMNITKY-IBGZPJMESA-N 1 0 368.437 2.790 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1C[C@H]1c1ccc(F)cc1F ZINC000600761440 520454312 /nfs/dbraw/zinc/45/43/12/520454312.db2.gz ZBLBHXWGJBLAGF-IVMMDQJWSA-N 1 0 364.348 2.758 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](CO)[C@@H](C)c1ccccc1 ZINC000613389784 520478475 /nfs/dbraw/zinc/47/84/75/520478475.db2.gz QROVPFFKIJODOP-KSSFIOAISA-N 1 0 357.410 2.596 20 5 FFBDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000609984187 520496264 /nfs/dbraw/zinc/49/62/64/520496264.db2.gz QSZCKIZXORNEOA-DOMZBBRYSA-N 1 0 369.849 2.814 20 5 FFBDRO Cc1n[nH]c(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000609996194 520499848 /nfs/dbraw/zinc/49/98/48/520499848.db2.gz XPVFFKARRNVCCO-BBRMVZONSA-N 1 0 371.441 2.751 20 5 FFBDRO CC(C)(C(=O)N1CCN(c2cc[nH+]cc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000610059114 520519833 /nfs/dbraw/zinc/51/98/33/520519833.db2.gz SDRVAGSAEUTHJR-UHFFFAOYSA-N 1 0 354.410 2.616 20 5 FFBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000610065415 520521914 /nfs/dbraw/zinc/52/19/14/520521914.db2.gz QMENLPQFHXVXCU-NSHDSACASA-N 1 0 370.247 2.962 20 5 FFBDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000598266545 520528832 /nfs/dbraw/zinc/52/88/32/520528832.db2.gz ZEORXMKZYQADIQ-HNNXBMFYSA-N 1 0 371.441 2.631 20 5 FFBDRO C[C@@H]1CCC[C@@](CNC(=O)CCOc2ccccc2[N+](=O)[O-])([NH+](C)C)C1 ZINC000604440013 520563767 /nfs/dbraw/zinc/56/37/67/520563767.db2.gz YGVKOMMBOWCAKH-DNVCBOLYSA-N 1 0 363.458 2.990 20 5 FFBDRO CCC[N@@H+]1CC[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000598343173 520566344 /nfs/dbraw/zinc/56/63/44/520566344.db2.gz TXAWPDLCWFZPTC-LBPRGKRZSA-N 1 0 370.247 2.500 20 5 FFBDRO Cn1ccnc1C(=O)c1ccc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000604473157 520571949 /nfs/dbraw/zinc/57/19/49/520571949.db2.gz ONDMLVHQYFYVCL-GJZGRUSLSA-N 1 0 369.425 2.598 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@H]2c2ccc(O)cc2)c1 ZINC000604484456 520575893 /nfs/dbraw/zinc/57/58/93/520575893.db2.gz OXEBWQAPJBAMPL-MJGOQNOKSA-N 1 0 358.394 2.877 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]2c2ccc(O)cc2)c1 ZINC000604484455 520575961 /nfs/dbraw/zinc/57/59/61/520575961.db2.gz OXEBWQAPJBAMPL-IEBWSBKVSA-N 1 0 358.394 2.877 20 5 FFBDRO O=C(CC[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)Nc1ccccn1 ZINC000604532689 520591055 /nfs/dbraw/zinc/59/10/55/520591055.db2.gz RTNXVZMPISSATO-UHFFFAOYSA-N 1 0 366.324 2.710 20 5 FFBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]C[C@@H](c1ccco1)N1CCCC1)OCCO2 ZINC000604532191 520591440 /nfs/dbraw/zinc/59/14/40/520591440.db2.gz IAVUJFDJTPBZAP-INIZCTEOSA-N 1 0 373.409 2.886 20 5 FFBDRO COC[C@H]([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1CCOCC1 ZINC000595616024 520594234 /nfs/dbraw/zinc/59/42/34/520594234.db2.gz PLMLPHDNSPTTJX-KRWDZBQOSA-N 1 0 361.398 2.781 20 5 FFBDRO CC(=O)c1ccc(OC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000601070363 520624078 /nfs/dbraw/zinc/62/40/78/520624078.db2.gz QLSXLPIFZYQGIV-FQEVSTJZSA-N 1 0 370.405 2.813 20 5 FFBDRO O=[N+]([O-])c1cc(F)cnc1Sc1nnc([C@@H]2CCC[NH2+]C2)n1C1CC1 ZINC000601118349 520645397 /nfs/dbraw/zinc/64/53/97/520645397.db2.gz LBBVSGCKWANLKO-SECBINFHSA-N 1 0 364.406 2.674 20 5 FFBDRO O=[N+]([O-])c1ccc2nccc(N3CCC[C@H](C[NH+]4CCOCC4)C3)c2c1 ZINC000601162432 520667414 /nfs/dbraw/zinc/66/74/14/520667414.db2.gz NTZXNDZYXAAMPQ-OAHLLOKOSA-N 1 0 356.426 2.692 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[N@H+](C)CC23CCCCC3)c1 ZINC000593016136 520685956 /nfs/dbraw/zinc/68/59/56/520685956.db2.gz IWQHWZCBFHAQHB-UHFFFAOYSA-N 1 0 361.442 2.832 20 5 FFBDRO NC(=O)C1(c2ccccc2)CC[NH+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000610476393 520705421 /nfs/dbraw/zinc/70/54/21/520705421.db2.gz KVJAOTKDUUIIBO-UHFFFAOYSA-N 1 0 357.385 2.753 20 5 FFBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000598561398 520706691 /nfs/dbraw/zinc/70/66/91/520706691.db2.gz QLPNDVMVEIXGPN-MRXNPFEDSA-N 1 0 370.453 2.788 20 5 FFBDRO CC[C@@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)[C@@H](CC)CO1 ZINC000593058104 520715274 /nfs/dbraw/zinc/71/52/74/520715274.db2.gz JIBYWNBKBGRJBM-DZGCQCFKSA-N 1 0 365.430 2.821 20 5 FFBDRO COC[C@@](C)(CO)[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000610518956 520725140 /nfs/dbraw/zinc/72/51/40/520725140.db2.gz AMPIBVZAMYGYTN-LJQANCHMSA-N 1 0 359.426 2.850 20 5 FFBDRO COC(=O)c1ccnc(NCc2ccc(F)c(C[NH+](C)C)c2)c1[N+](=O)[O-] ZINC000598598152 520733655 /nfs/dbraw/zinc/73/36/55/520733655.db2.gz NBWCTENPWDQZDA-UHFFFAOYSA-N 1 0 362.361 2.589 20 5 FFBDRO CCC[N@@H+]1CC[C@@H](NC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000595801027 520734780 /nfs/dbraw/zinc/73/47/80/520734780.db2.gz VPZARTFIKBNQEY-DLBZAZTESA-N 1 0 360.458 2.968 20 5 FFBDRO C[N@@H+]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H](Cc2ccccc2)C1 ZINC000593089892 520736978 /nfs/dbraw/zinc/73/69/78/520736978.db2.gz VEIBIXJPHRVFRV-QGZVFWFLSA-N 1 0 365.437 2.830 20 5 FFBDRO COC(=O)c1ccnc(N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000598613953 520743561 /nfs/dbraw/zinc/74/35/61/520743561.db2.gz ZYUOWPVQFKBJDM-DZGCQCFKSA-N 1 0 370.409 2.851 20 5 FFBDRO COCC[N@@H+]1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C(C)(C)C1 ZINC000593102093 520748383 /nfs/dbraw/zinc/74/83/83/520748383.db2.gz WVGYFUBSGDVZEZ-UHFFFAOYSA-N 1 0 374.441 2.792 20 5 FFBDRO Cc1cc(S(=O)(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)c([N+](=O)[O-])s1 ZINC000601351374 520751573 /nfs/dbraw/zinc/75/15/73/520751573.db2.gz FUSSAOSFNHGSOX-ZDUSSCGKSA-N 1 0 373.500 2.604 20 5 FFBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)CC[NH+]1CCCCC1 ZINC000593112939 520754301 /nfs/dbraw/zinc/75/43/01/520754301.db2.gz SHCGAEWPCYAZBC-ZDUSSCGKSA-N 1 0 368.865 2.993 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@@H](Oc2ccccc2)C1 ZINC000595833176 520755348 /nfs/dbraw/zinc/75/53/48/520755348.db2.gz TVOLXYOSWOXCDA-QGZVFWFLSA-N 1 0 355.394 2.995 20 5 FFBDRO O=C(N[C@H]1CCN(c2ccccn2)C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601367627 520758978 /nfs/dbraw/zinc/75/89/78/520758978.db2.gz VHGJTRUEBGEOKA-INIZCTEOSA-N 1 0 366.421 2.807 20 5 FFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593128357 520766733 /nfs/dbraw/zinc/76/67/33/520766733.db2.gz GWHKKUNERRLRSK-KDOFPFPSSA-N 1 0 371.412 2.913 20 5 FFBDRO CC(C)CN(C(=O)Cc1ccc(F)cc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000593156434 520787194 /nfs/dbraw/zinc/78/71/94/520787194.db2.gz AOTFTECSDVBKCV-UHFFFAOYSA-N 1 0 351.422 2.855 20 5 FFBDRO O=C(CC[N@H+]1C[C@]23COC[C@@]2(C1)CCCC3)Nc1ccccc1[N+](=O)[O-] ZINC000595911616 520815525 /nfs/dbraw/zinc/81/55/25/520815525.db2.gz UXISFHVEDSEOJC-KDURUIRLSA-N 1 0 359.426 2.816 20 5 FFBDRO [NH3+]C[C@@H]1CCCc2ccc(C(=O)N3CCc4ncc([N+](=O)[O-])cc4C3)cc21 ZINC000595953925 520837365 /nfs/dbraw/zinc/83/73/65/520837365.db2.gz OMYCBXBSECJXJX-HNNXBMFYSA-N 1 0 366.421 2.567 20 5 FFBDRO CCC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])C[C@@H]1COc2ccccc2O1 ZINC000610782879 520841837 /nfs/dbraw/zinc/84/18/37/520841837.db2.gz LENAXISBHUOYJS-OAHLLOKOSA-N 1 0 360.414 2.652 20 5 FFBDRO NC(=O)c1cc(N2CCC(C[NH+]3CCCCCC3)CC2)ccc1[N+](=O)[O-] ZINC000596073136 520896140 /nfs/dbraw/zinc/89/61/40/520896140.db2.gz GFSALBISWQQUKB-UHFFFAOYSA-N 1 0 360.458 2.786 20 5 FFBDRO COC(=O)c1c(Cl)c(N2CC[C@H]([NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000596104655 520913713 /nfs/dbraw/zinc/91/37/13/520913713.db2.gz KLDRSRFQEWELHE-NSHDSACASA-N 1 0 353.806 2.709 20 5 FFBDRO O=C([C@H]1CCC[N@@H+]1C1CCCC1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000610968322 520922485 /nfs/dbraw/zinc/92/24/85/520922485.db2.gz VQAFYFMCHKUJTI-LJQANCHMSA-N 1 0 372.469 2.650 20 5 FFBDRO CCC1([NH+]2CCCC2)CCN(C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])CC1 ZINC000601744963 520930572 /nfs/dbraw/zinc/93/05/72/520930572.db2.gz OBZSOUWPJHGRHO-UHFFFAOYSA-N 1 0 363.462 2.922 20 5 FFBDRO C[NH+]1CCC(n2cc(NC(=O)CCc3cccc([N+](=O)[O-])c3)cn2)CC1 ZINC000601778907 520947259 /nfs/dbraw/zinc/94/72/59/520947259.db2.gz WBAVKWWYCRXQKD-UHFFFAOYSA-N 1 0 357.414 2.629 20 5 FFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596176213 520953474 /nfs/dbraw/zinc/95/34/74/520953474.db2.gz BBYSXHJNSPSKBM-HUUCEWRRSA-N 1 0 368.437 2.793 20 5 FFBDRO C[NH+](C)[C@@H](CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-])c1cccs1 ZINC000593384069 520955789 /nfs/dbraw/zinc/95/57/89/520955789.db2.gz KKIZLKOABKIEHI-AWEZNQCLSA-N 1 0 351.403 2.757 20 5 FFBDRO CN(c1ccccc1)c1ccc(C[NH2+][C@@H]2CCOC[C@H]2O)cc1[N+](=O)[O-] ZINC000599010491 520977948 /nfs/dbraw/zinc/97/79/48/520977948.db2.gz AELHCKIJWQJGEG-VQIMIIECSA-N 1 0 357.410 2.602 20 5 FFBDRO C[NH+](C)[C@@H](CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000593415277 520978423 /nfs/dbraw/zinc/97/84/23/520978423.db2.gz OWOGENQGRMDUQT-KRWDZBQOSA-N 1 0 363.364 2.835 20 5 FFBDRO Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC(C)([NH+]2CCCC2)CC1 ZINC000601860609 520992433 /nfs/dbraw/zinc/99/24/33/520992433.db2.gz WKZSEFPYZWYLNJ-UHFFFAOYSA-N 1 0 370.457 2.845 20 5 FFBDRO COC(=O)c1cnc(N2CCC([NH2+]Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000596253058 520993908 /nfs/dbraw/zinc/99/39/08/520993908.db2.gz VJVSHRMOKXAAEZ-UHFFFAOYSA-N 1 0 370.409 2.535 20 5 FFBDRO COC(=O)c1c(Cl)c(N2CC[N@@H+](C3CC3)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000596256095 520996731 /nfs/dbraw/zinc/99/67/31/520996731.db2.gz YUQLFHZKJFXRQJ-NSHDSACASA-N 1 0 367.833 2.955 20 5 FFBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1c(Br)cccc1[N+](=O)[O-] ZINC000599083377 521021422 /nfs/dbraw/zinc/02/14/22/521021422.db2.gz KPQNIPAFZOFGPK-GHMZBOCLSA-N 1 0 368.231 2.714 20 5 FFBDRO C[C@@H]([NH2+]C[C@H]1CN(Cc2ccncc2)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000599087241 521025281 /nfs/dbraw/zinc/02/52/81/521025281.db2.gz GUXDHXJVCMTBBU-BEFAXECRSA-N 1 0 356.426 2.541 20 5 FFBDRO O=C(Cc1cccc([N+](=O)[O-])c1)Nc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000611197712 521033672 /nfs/dbraw/zinc/03/36/72/521033672.db2.gz ZSNXWNWUIRWITH-UHFFFAOYSA-N 1 0 369.421 2.733 20 5 FFBDRO Cn1ccnc1C(=O)c1ccc(N[C@@H]2CC[N@@H+](C(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000596336670 521033762 /nfs/dbraw/zinc/03/37/62/521033762.db2.gz RLARMFKACDGFEP-CQSZACIVSA-N 1 0 371.441 2.844 20 5 FFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCn2ccc(C(F)(F)F)n2)n1 ZINC000601963839 521045475 /nfs/dbraw/zinc/04/54/75/521045475.db2.gz NZAVKPGNJYAMPL-RYUDHWBXSA-N 1 0 372.351 2.780 20 5 FFBDRO CC1(C)C[NH2+]CC[C@@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000601977762 521052157 /nfs/dbraw/zinc/05/21/57/521052157.db2.gz STRWWOVJBOUSSM-OAHLLOKOSA-N 1 0 360.458 2.703 20 5 FFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000601977189 521052649 /nfs/dbraw/zinc/05/26/49/521052649.db2.gz RZXZHMTZTGGZBX-STQMWFEESA-N 1 0 351.472 2.970 20 5 FFBDRO CCC1([NH+]2CCOCC2)CCN(c2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC000599183070 521075321 /nfs/dbraw/zinc/07/53/21/521075321.db2.gz FTLACAHWLNNMEJ-UHFFFAOYSA-N 1 0 367.421 2.824 20 5 FFBDRO C[C@@H]1CN(C/C=C\c2ccccc2[N+](=O)[O-])CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000611275112 521075496 /nfs/dbraw/zinc/07/54/96/521075496.db2.gz DZXSOFJFPAQGJB-JVEIWDLLSA-N 1 0 358.486 2.566 20 5 FFBDRO COC(=O)c1cc(C)nc(N[C@H]2CC[N@@H+](C3CCCCC3)C2)c1[N+](=O)[O-] ZINC000596477544 521090845 /nfs/dbraw/zinc/09/08/45/521090845.db2.gz AUIDCIPJSCHFEH-ZDUSSCGKSA-N 1 0 362.430 2.904 20 5 FFBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000596558603 521129990 /nfs/dbraw/zinc/12/99/90/521129990.db2.gz RUEOZYSTKXPPRS-INIZCTEOSA-N 1 0 354.410 2.641 20 5 FFBDRO C[NH+](C)CCC[C@H]1CN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CCO1 ZINC000596565289 521134152 /nfs/dbraw/zinc/13/41/52/521134152.db2.gz DGJVYWDVRXFOKU-ZDUSSCGKSA-N 1 0 359.373 2.743 20 5 FFBDRO COC[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1cccc(C(F)(F)F)c1 ZINC000611397024 521136606 /nfs/dbraw/zinc/13/66/06/521136606.db2.gz VISPZFLLIOWPMH-ZDUSSCGKSA-N 1 0 358.320 2.787 20 5 FFBDRO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000596570827 521138106 /nfs/dbraw/zinc/13/81/06/521138106.db2.gz OIZLVMCKFMWJBD-CQSZACIVSA-N 1 0 367.471 2.532 20 5 FFBDRO NC(=O)[C@H]1C[C@@H]([NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000593670496 521142849 /nfs/dbraw/zinc/14/28/49/521142849.db2.gz RUBAWWVQKHZHJZ-XBXGTLAGSA-N 1 0 359.357 2.880 20 5 FFBDRO O=C(CN1CCCC2(CCCC2)C1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000615000629 521224391 /nfs/dbraw/zinc/22/43/91/521224391.db2.gz MSPZBESDFHVBEZ-UHFFFAOYSA-N 1 0 361.398 2.918 20 5 FFBDRO COc1cc(C[N@H+](C)CC2(C)COC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000599571329 521303655 /nfs/dbraw/zinc/30/36/55/521303655.db2.gz CCQLXLCGEUJIDP-UHFFFAOYSA-N 1 0 360.357 2.716 20 5 FFBDRO COc1ccc(NC(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000596833064 521318821 /nfs/dbraw/zinc/31/88/21/521318821.db2.gz VJPPDEJIJVBHEC-LBPRGKRZSA-N 1 0 350.419 2.845 20 5 FFBDRO CC1([NH+]2CCOCC2)CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000599623541 521339096 /nfs/dbraw/zinc/33/90/96/521339096.db2.gz SZAOZMJUSNYMRZ-UHFFFAOYSA-N 1 0 353.850 2.935 20 5 FFBDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000602434697 521344795 /nfs/dbraw/zinc/34/47/95/521344795.db2.gz OGPHTLHYSCWGKV-NSHDSACASA-N 1 0 358.236 2.803 20 5 FFBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC(c3ccc4cccnc4n3)CC2)c1 ZINC000594019440 521355085 /nfs/dbraw/zinc/35/50/85/521355085.db2.gz KVEYJSWGTHOVPL-UHFFFAOYSA-N 1 0 352.398 2.614 20 5 FFBDRO CC(C)(NC(=O)Cc1cccc2c1CC[NH2+]C2)c1ccc([N+](=O)[O-])cc1 ZINC000602460398 521359653 /nfs/dbraw/zinc/35/96/53/521359653.db2.gz FITYPWVNIGDVRN-UHFFFAOYSA-N 1 0 353.422 2.835 20 5 FFBDRO COC(=O)[C@@](C)(NCC[N@H+](C)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000599650237 521360581 /nfs/dbraw/zinc/36/05/81/521360581.db2.gz GRAUBBYBPLIBJN-FQEVSTJZSA-N 1 0 371.437 2.705 20 5 FFBDRO C[C@H]1C[C@H](N(C)Cc2cn(C)nc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000602472321 521363355 /nfs/dbraw/zinc/36/33/55/521363355.db2.gz DZEJDPCQHDCLRZ-MAUKXSAKSA-N 1 0 357.458 2.813 20 5 FFBDRO CCc1ccc(C2CC[NH+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)cc1 ZINC000599669586 521382916 /nfs/dbraw/zinc/38/29/16/521382916.db2.gz OYBQYKOYSXPUEZ-LJQANCHMSA-N 1 0 358.442 2.594 20 5 FFBDRO C[C@H](CN1CCCC1=O)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602519367 521392506 /nfs/dbraw/zinc/39/25/06/521392506.db2.gz XQYPJQHKDUCRRL-MRVPVSSYSA-N 1 0 362.249 2.519 20 5 FFBDRO [NH3+]C[C@@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC[C@H]1C(F)(F)F ZINC000602542148 521402793 /nfs/dbraw/zinc/40/27/93/521402793.db2.gz UNUJRAYZLGTQSF-BXKDBHETSA-N 1 0 365.739 2.848 20 5 FFBDRO CN(C)c1cccc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1 ZINC000602542413 521403932 /nfs/dbraw/zinc/40/39/32/521403932.db2.gz XEDDMNNCTKJBKN-UHFFFAOYSA-N 1 0 355.442 2.814 20 5 FFBDRO CO[C@H]1COCC[C@@H]1C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602674972 521471808 /nfs/dbraw/zinc/47/18/08/521471808.db2.gz IUQFYVCQJKVCIA-KCJUWKMLSA-N 1 0 365.249 2.560 20 5 FFBDRO C[C@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C(=O)OC(C)(C)C ZINC000602704537 521487180 /nfs/dbraw/zinc/48/71/80/521487180.db2.gz GXHWRXQNGBQVLF-CYBMUJFWSA-N 1 0 364.446 2.526 20 5 FFBDRO C[C@H](CNC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N)C[NH+]1CCCC1 ZINC000597091712 521497907 /nfs/dbraw/zinc/49/79/07/521497907.db2.gz CLELLPIMVYOTCS-SNVBAGLBSA-N 1 0 355.826 2.684 20 5 FFBDRO C[C@@H](CNC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N)C[NH+]1CCCC1 ZINC000597091711 521497948 /nfs/dbraw/zinc/49/79/48/521497948.db2.gz CLELLPIMVYOTCS-JTQLQIEISA-N 1 0 355.826 2.684 20 5 FFBDRO O=C(Nc1ccc([N+](=O)[O-])c2ccncc12)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000599831194 521499296 /nfs/dbraw/zinc/49/92/96/521499296.db2.gz PQNDBQBVFYTTCI-QWHCGFSZSA-N 1 0 355.398 2.891 20 5 FFBDRO Nc1c(NC(=O)N2CCC([NH+]3CC=CC3)CC2)cc(Cl)cc1[N+](=O)[O-] ZINC000597094244 521499622 /nfs/dbraw/zinc/49/96/22/521499622.db2.gz CEXUNLRFEPRPGG-UHFFFAOYSA-N 1 0 365.821 2.699 20 5 FFBDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599831961 521500005 /nfs/dbraw/zinc/50/00/05/521500005.db2.gz BTWMVJJMOUEUEV-KRWDZBQOSA-N 1 0 357.414 2.947 20 5 FFBDRO C[N@@H+]1CCC[C@H](CCNC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C1 ZINC000599840854 521506570 /nfs/dbraw/zinc/50/65/70/521506570.db2.gz UOQZOPVMAOXPQU-CYBMUJFWSA-N 1 0 357.414 2.996 20 5 FFBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)Nc3cc(Cl)cc([N+](=O)[O-])c3N)CC[C@H]21 ZINC000597102539 521507636 /nfs/dbraw/zinc/50/76/36/521507636.db2.gz XUCAYUCKMYLIEO-GXFFZTMASA-N 1 0 367.837 2.778 20 5 FFBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594284311 521536440 /nfs/dbraw/zinc/53/64/40/521536440.db2.gz VQXCHRPTSIPMBW-AEFFLSMTSA-N 1 0 360.458 2.796 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000602801547 521539798 /nfs/dbraw/zinc/53/97/98/521539798.db2.gz FNVRNVHXKMTMOL-GFCCVEGCSA-N 1 0 372.351 2.652 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](CC(=O)OC(C)C)c1ccccc1 ZINC000602806376 521544431 /nfs/dbraw/zinc/54/44/31/521544431.db2.gz SFPJNPUIQRKIQC-INIZCTEOSA-N 1 0 360.414 2.772 20 5 FFBDRO CCn1nc2c(cc1=O)C[N@@H+](C/C(C)=C/c1cccc([N+](=O)[O-])c1)CC2 ZINC000615835203 521552470 /nfs/dbraw/zinc/55/24/70/521552470.db2.gz ZLUQZPUMJBGGSG-NTEUORMPSA-N 1 0 354.410 2.633 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+](CCc1ccccn1)Cc1cccnc1 ZINC000602829019 521557360 /nfs/dbraw/zinc/55/73/60/521557360.db2.gz UQSZSEGNRIQNAF-UHFFFAOYSA-N 1 0 366.425 2.635 20 5 FFBDRO COc1c(C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cccc1[N+](=O)[O-] ZINC000619442456 521570243 /nfs/dbraw/zinc/57/02/43/521570243.db2.gz VNIXBDCAZMXSLA-ZIAGYGMSSA-N 1 0 361.442 2.986 20 5 FFBDRO C[NH+](C)[C@@H](CNc1ccc(-c2nn[nH]n2)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000821581884 606645631 /nfs/dbraw/zinc/64/56/31/606645631.db2.gz XKJOUDKYLHETQP-INIZCTEOSA-N 1 0 371.376 2.629 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000826212528 608480842 /nfs/dbraw/zinc/48/08/42/608480842.db2.gz UAXNQYPKHRUSAA-NSHDSACASA-N 1 0 354.370 2.634 20 5 FFBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824605293 609141341 /nfs/dbraw/zinc/14/13/41/609141341.db2.gz HJLCZWBEXDJZPG-LLVKDONJSA-N 1 0 356.361 2.807 20 5 FFBDRO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824600201 609150952 /nfs/dbraw/zinc/15/09/52/609150952.db2.gz XTIQGRBEACPCBO-NSHDSACASA-N 1 0 372.360 2.644 20 5 FFBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccc(-c2nn[nH]n2)cc1F ZINC000824605133 609337385 /nfs/dbraw/zinc/33/73/85/609337385.db2.gz FRLNDHKEMXIDEV-NSHDSACASA-N 1 0 356.361 2.807 20 5 FFBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824607198 609345268 /nfs/dbraw/zinc/34/52/68/609345268.db2.gz VWMJGKNUWSSIJP-LLVKDONJSA-N 1 0 356.361 2.807 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164727966 720334424 /nfs/dbraw/zinc/33/44/24/720334424.db2.gz VBYBQTGYGFJGHJ-CABCVRRESA-N 1 0 359.817 2.891 20 5 FFBDRO O=[N+]([O-])c1cc[n+]([O-])c(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c1 ZINC001164994000 722191625 /nfs/dbraw/zinc/19/16/25/722191625.db2.gz KOLZSTKRISSYDJ-LJQANCHMSA-N 1 0 372.400 2.612 20 5 FFBDRO CC(C)[NH+]1CCN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000155173803 728821976 /nfs/dbraw/zinc/82/19/76/728821976.db2.gz OSARBCRQDHTFPQ-UHFFFAOYSA-N 1 0 371.235 2.915 20 5 FFBDRO CC[NH+](CC)[C@@H]1CCN([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000072834532 728213911 /nfs/dbraw/zinc/21/39/11/728213911.db2.gz AICDPUXXUUTMRU-GXTWGEPZSA-N 1 0 368.865 2.991 20 5 FFBDRO COC[C@H]1CCCN([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000112986067 728551444 /nfs/dbraw/zinc/55/14/44/728551444.db2.gz WZUGRXDNAVPMAN-RYUDHWBXSA-N 1 0 355.822 2.934 20 5 FFBDRO C[C@H](CNC(=O)OC(C)(C)C)[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000171955684 729016869 /nfs/dbraw/zinc/01/68/69/729016869.db2.gz DRUZQUCBLGXFSF-CYBMUJFWSA-N 1 0 353.419 2.819 20 5 FFBDRO CC(C)C[N@H+](CCn1cc([N+](=O)[O-])cn1)C[C@@H](O)c1ccc(F)cc1 ZINC000174867075 729081553 /nfs/dbraw/zinc/08/15/53/729081553.db2.gz UYWMNGYDZDPGGT-QGZVFWFLSA-N 1 0 350.394 2.622 20 5 FFBDRO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1CC[C@@H](C[N@H+](C)CC)C1 ZINC000177546252 729138928 /nfs/dbraw/zinc/13/89/28/729138928.db2.gz NDHVBEPCPBPXSE-LBPRGKRZSA-N 1 0 353.394 2.689 20 5 FFBDRO C[C@@H]1C[NH+](C[C@@H]2CCCN2Cc2cc(F)ccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000194570919 729513914 /nfs/dbraw/zinc/51/39/14/729513914.db2.gz TWZNDYJOLZGYOG-CPUCHLNUSA-N 1 0 351.422 2.808 20 5 FFBDRO CO[C@@H]1C[N@H+](C)[C@@](C)(COC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000861349834 730602828 /nfs/dbraw/zinc/60/28/28/730602828.db2.gz WDWIFXKPTKHWGM-KBXCAEBGSA-N 1 0 350.415 2.984 20 5 FFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)OC[C@]1(C)C[C@@H](OC)C[N@@H+]1C ZINC000861350678 730602872 /nfs/dbraw/zinc/60/28/72/730602872.db2.gz QNRDTFWQIFAFLU-DYVFJYSZSA-N 1 0 368.455 2.973 20 5 FFBDRO CO[C@H]1C[N@H+](C)[C@](C)(COC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000861352738 730603506 /nfs/dbraw/zinc/60/35/06/730603506.db2.gz KBLBWDUJCDIMMU-ACJLOTCBSA-N 1 0 350.415 2.525 20 5 FFBDRO O=C(c1cccc([N+](=O)[O-])c1Cl)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000861523457 730619506 /nfs/dbraw/zinc/61/95/06/730619506.db2.gz RXCHQESRSXNVJY-CYBMUJFWSA-N 1 0 367.833 2.575 20 5 FFBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000863562579 730790465 /nfs/dbraw/zinc/79/04/65/730790465.db2.gz LOMVNMILWFEVIH-LQAWEQHXSA-N 1 0 366.849 2.507 20 5 FFBDRO CC(C)(C)OC(=O)CN1CCC([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000865776531 730996545 /nfs/dbraw/zinc/99/65/45/730996545.db2.gz ZOOPMSJDCHNSRP-UHFFFAOYSA-N 1 0 355.460 2.552 20 5 FFBDRO O=[N+]([O-])c1cccnc1N1CCN(c2cc[nH+]cc2C(F)(F)F)CC1 ZINC000865866623 731005331 /nfs/dbraw/zinc/00/53/31/731005331.db2.gz SOIDHKVJFVVUFV-UHFFFAOYSA-N 1 0 353.304 2.730 20 5 FFBDRO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000866386179 731054172 /nfs/dbraw/zinc/05/41/72/731054172.db2.gz BBIOUGQIQDUXOA-GFOFROLCSA-N 1 0 354.422 2.821 20 5 FFBDRO CCC1([NH+](C)C)CCN(S(=O)(=O)c2cc(F)c(C)cc2[N+](=O)[O-])CC1 ZINC000867629390 731207657 /nfs/dbraw/zinc/20/76/57/731207657.db2.gz DWOYYGGOORYEAB-UHFFFAOYSA-N 1 0 373.450 2.537 20 5 FFBDRO CCC1([NH+](C)C)CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)CC1 ZINC000867631337 731208174 /nfs/dbraw/zinc/20/81/74/731208174.db2.gz OBFCFUANKXVLJR-UHFFFAOYSA-N 1 0 373.450 2.537 20 5 FFBDRO CCC[N@@H+]1CC[C@H](NC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000869286066 731382923 /nfs/dbraw/zinc/38/29/23/731382923.db2.gz ZWQKOPXMBSDSFV-LBPRGKRZSA-N 1 0 370.247 2.500 20 5 FFBDRO C[C@@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1c(F)cccc1[N+](=O)[O-] ZINC000872119310 731731312 /nfs/dbraw/zinc/73/13/12/731731312.db2.gz PQLQFTNSKPSOKE-ODWCKFRGSA-N 1 0 356.419 2.740 20 5 FFBDRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000874828670 732104619 /nfs/dbraw/zinc/10/46/19/732104619.db2.gz YDWCAOHAGXAPES-ZIAGYGMSSA-N 1 0 357.332 2.922 20 5 FFBDRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000874834510 732105387 /nfs/dbraw/zinc/10/53/87/732105387.db2.gz SFXIXUGLQUEWHR-ZIAGYGMSSA-N 1 0 357.332 2.922 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC(C)(C)C[NH2+]2)cc1SC ZINC000877155990 732329477 /nfs/dbraw/zinc/32/94/77/732329477.db2.gz MLJBIFFRUAMWTM-LLVKDONJSA-N 1 0 367.471 2.833 20 5 FFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CCc3cc(C(F)(F)F)ccn3)C2)c1 ZINC000877551713 732386276 /nfs/dbraw/zinc/38/62/76/732386276.db2.gz KKKNZCUOCDHSEH-UHFFFAOYSA-N 1 0 355.320 2.741 20 5 FFBDRO C[N@@H+]1CC[C@H]2CN(Cc3cc(Br)c([N+](=O)[O-])s3)CC[C@H]21 ZINC000877741008 732421843 /nfs/dbraw/zinc/42/18/43/732421843.db2.gz MAAWBRCYEAPWDU-JOYOIKCWSA-N 1 0 360.277 2.945 20 5 FFBDRO CN(CC[NH+]1CCCC1)Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000878099895 732481757 /nfs/dbraw/zinc/48/17/57/732481757.db2.gz HIVHUZONUFLUDO-UHFFFAOYSA-N 1 0 365.821 2.826 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000878174954 732493853 /nfs/dbraw/zinc/49/38/53/732493853.db2.gz VPFNSNXRVBUXTM-KBPBESRZSA-N 1 0 350.444 2.749 20 5 FFBDRO CC[N@H+]1[C@H](C)CN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000878836145 732602608 /nfs/dbraw/zinc/60/26/08/732602608.db2.gz IXVNNINZEVUYSX-TXEJJXNPSA-N 1 0 354.838 2.601 20 5 FFBDRO CC[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCN(CC(F)(F)F)C1 ZINC000878943487 732619334 /nfs/dbraw/zinc/61/93/34/732619334.db2.gz GTMAWIDEYVWBED-GJZGRUSLSA-N 1 0 361.364 2.587 20 5 FFBDRO COC[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1cccc(Br)c1 ZINC000879662005 732745425 /nfs/dbraw/zinc/74/54/25/732745425.db2.gz NZIOVRGHJVQDKN-AWEZNQCLSA-N 1 0 369.219 2.531 20 5 FFBDRO O=[N+]([O-])c1cc(Br)ccc1C[NH2+][C@H]1CCOC12CCOCC2 ZINC000926850431 738661452 /nfs/dbraw/zinc/66/14/52/738661452.db2.gz RCPWTTNQCRSSMM-AWEZNQCLSA-N 1 0 371.231 2.785 20 5 FFBDRO C[N@@H+]1CC[C@H]2CN(C(=O)c3cccc([N+](=O)[O-])c3Br)CC[C@H]21 ZINC000881439507 733055280 /nfs/dbraw/zinc/05/52/80/733055280.db2.gz NZSXYYKHPOCFGC-CMPLNLGQSA-N 1 0 368.231 2.524 20 5 FFBDRO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CCN1c1cc[nH+]cc1 ZINC000881637748 733077426 /nfs/dbraw/zinc/07/74/26/733077426.db2.gz GUOPJQYXXJDIMO-LBPRGKRZSA-N 1 0 360.801 2.994 20 5 FFBDRO C[C@@H]([NH2+]CCN1CCNC1=O)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000886741163 733824202 /nfs/dbraw/zinc/82/42/02/733824202.db2.gz WYHNPTDBLYCTKS-GFCCVEGCSA-N 1 0 360.439 2.999 20 5 FFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1CC[C@@]2(CO[C@H](C)C2)O1 ZINC000886768764 733829448 /nfs/dbraw/zinc/82/94/48/733829448.db2.gz HTWANDWZAYRHJK-MHRLRVJTSA-N 1 0 352.406 2.981 20 5 FFBDRO C[N@@H+]1C[C@@H]2CN(C(=O)CCc3c(Cl)cccc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000887921210 733993269 /nfs/dbraw/zinc/99/32/69/733993269.db2.gz XGOUJIMVYZSMSK-PXAZEXFGSA-N 1 0 351.834 2.591 20 5 FFBDRO Cc1ccc([C@@H](C)NC(=O)NC[C@H]2C[NH2+]CCC2(F)F)cc1[N+](=O)[O-] ZINC000891650618 734456678 /nfs/dbraw/zinc/45/66/78/734456678.db2.gz TXIZIAHTWAKFAI-DGCLKSJQSA-N 1 0 356.373 2.508 20 5 FFBDRO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000733159367 734794356 /nfs/dbraw/zinc/79/43/56/734794356.db2.gz PEFOXDUOLAGIBO-AWEZNQCLSA-N 1 0 367.833 2.621 20 5 FFBDRO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000894081739 734797997 /nfs/dbraw/zinc/79/79/97/734797997.db2.gz BGTYOZVNGPYKQT-GXSJLCMTSA-N 1 0 366.361 2.526 20 5 FFBDRO O=[N+]([O-])c1cc(N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)ccc1C(F)(F)F ZINC000897221084 735208024 /nfs/dbraw/zinc/20/80/24/735208024.db2.gz GZOLSJIETOVTFN-ZIAGYGMSSA-N 1 0 359.348 2.649 20 5 FFBDRO Cn1nnc2c1C[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])CC2 ZINC000897347485 735223336 /nfs/dbraw/zinc/22/33/36/735223336.db2.gz NRYMPZHPIDKLFH-SNVBAGLBSA-N 1 0 356.213 2.677 20 5 FFBDRO O=C(c1cc(Cl)c(F)c([N+](=O)[O-])c1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000900791553 735693221 /nfs/dbraw/zinc/69/32/21/735693221.db2.gz FJWPDQYASNIMMQ-NSHDSACASA-N 1 0 355.797 2.945 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000749544342 735729957 /nfs/dbraw/zinc/72/99/57/735729957.db2.gz DEKWYRDGEKPQCG-DJIMGWMZSA-N 1 0 353.850 2.932 20 5 FFBDRO CCOC(=O)N1CCC([NH2+][C@H](C)c2cc(OC)cc([N+](=O)[O-])c2)CC1 ZINC000903068189 736026047 /nfs/dbraw/zinc/02/60/47/736026047.db2.gz ZBYXSWKGOUPSOE-GFCCVEGCSA-N 1 0 351.403 2.875 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC1CCC(S(C)(=O)=O)CC1 ZINC000903150256 736042022 /nfs/dbraw/zinc/04/20/22/736042022.db2.gz PDAIKGKWOQNWHJ-DNOWBOINSA-N 1 0 370.471 2.857 20 5 FFBDRO Cc1ccc([C@@H](C)[NH2+]CC2(O)CCC3(CC2)OCCO3)cc1[N+](=O)[O-] ZINC000903379231 736085475 /nfs/dbraw/zinc/08/54/75/736085475.db2.gz VVDNXFTZQIXDAJ-CQSZACIVSA-N 1 0 350.415 2.602 20 5 FFBDRO C[N@@H+]1CCC[C@@H](NC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000755031274 736228320 /nfs/dbraw/zinc/22/83/20/736228320.db2.gz UPWKIHZLAMNZBO-SNVBAGLBSA-N 1 0 357.208 2.573 20 5 FFBDRO O=C(CC[NH2+]C[C@@H]1CC[C@H](C(F)(F)F)O1)Nc1ccccc1[N+](=O)[O-] ZINC000905515772 736349436 /nfs/dbraw/zinc/34/94/36/736349436.db2.gz HFQLIYODBULQBA-GXFFZTMASA-N 1 0 361.320 2.623 20 5 FFBDRO CC[NH+]1CCC(CNC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000756951284 736376309 /nfs/dbraw/zinc/37/63/09/736376309.db2.gz NQLZYDVTARDSML-UHFFFAOYSA-N 1 0 354.838 2.779 20 5 FFBDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000756967214 736378490 /nfs/dbraw/zinc/37/84/90/736378490.db2.gz SGRCZESKZXUXMG-STQMWFEESA-N 1 0 354.838 2.920 20 5 FFBDRO COc1cc(NC2CC[NH+](C[C@@H]3CCCO3)CC2)c([N+](=O)[O-])cc1F ZINC000758394032 736483315 /nfs/dbraw/zinc/48/33/15/736483315.db2.gz SSWLSOMYYGGCIH-ZDUSSCGKSA-N 1 0 353.394 2.798 20 5 FFBDRO C[NH+](C)CCn1cc(NC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)cn1 ZINC000906484477 736509288 /nfs/dbraw/zinc/50/92/88/736509288.db2.gz ZRQRJWVJAUASSW-UHFFFAOYSA-N 1 0 365.821 2.578 20 5 FFBDRO CN(C(=O)CCc1ccc([N+](=O)[O-])cc1Cl)[C@H]1C[NH+]2CCC1CC2 ZINC000906647447 736528674 /nfs/dbraw/zinc/52/86/74/736528674.db2.gz CWTNAIDDHXPCJD-INIZCTEOSA-N 1 0 351.834 2.733 20 5 FFBDRO C[C@@H](NC(=O)CCc1ccc([N+](=O)[O-])cc1Cl)C1=CC[N@H+](C)CC1 ZINC000907281268 736606254 /nfs/dbraw/zinc/60/62/54/736606254.db2.gz HNMUHILGMFTTNO-GFCCVEGCSA-N 1 0 351.834 2.947 20 5 FFBDRO COCCOc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)cn1 ZINC000761523758 736742845 /nfs/dbraw/zinc/74/28/45/736742845.db2.gz XGMYGWJDFIUGLQ-UHFFFAOYSA-N 1 0 351.790 2.958 20 5 FFBDRO CC1(C)CC(NC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CC(C)(C)[NH2+]1 ZINC000762816159 736870303 /nfs/dbraw/zinc/87/03/03/736870303.db2.gz MYNXPPBZIREZQF-UHFFFAOYSA-N 1 0 363.443 2.639 20 5 FFBDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000764279168 737007520 /nfs/dbraw/zinc/00/75/20/737007520.db2.gz KQMXERCWJPCKIF-CQSZACIVSA-N 1 0 369.849 2.821 20 5 FFBDRO CC[N@@H+]1CCCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000910282084 737052562 /nfs/dbraw/zinc/05/25/62/737052562.db2.gz RSAJGDAMTYSWFD-NSHDSACASA-N 1 0 370.247 2.914 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC(C)([NH+](C)C)CC1 ZINC000913397610 737398821 /nfs/dbraw/zinc/39/88/21/737398821.db2.gz BQPUNRKMQHEXIY-LBPRGKRZSA-N 1 0 369.849 2.958 20 5 FFBDRO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000768712657 737451826 /nfs/dbraw/zinc/45/18/26/737451826.db2.gz REZJFICAXLRJRX-CQSZACIVSA-N 1 0 367.833 2.621 20 5 FFBDRO C[C@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000770265141 737610342 /nfs/dbraw/zinc/61/03/42/737610342.db2.gz HUOIVBNJUNELEJ-LLVKDONJSA-N 1 0 370.247 2.962 20 5 FFBDRO CC(C)[C@H]1C[N@H+](C)CCN1Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000774639141 738008494 /nfs/dbraw/zinc/00/84/94/738008494.db2.gz UATZRHUYRBJQGC-OAHLLOKOSA-N 1 0 351.838 2.827 20 5 FFBDRO CSCc1ccc(C[NH2+][C@@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000921747762 738036564 /nfs/dbraw/zinc/03/65/64/738036564.db2.gz ZIHGGHOOKVFLOI-ZWKOTPCHSA-N 1 0 362.451 2.642 20 5 FFBDRO COc1cc(C[NH2+]C[C@H]2CC[C@@H](C(F)(F)F)O2)c([N+](=O)[O-])cc1O ZINC000922462981 738149386 /nfs/dbraw/zinc/14/93/86/738149386.db2.gz QAHNURMNWICEPF-RNCFNFMXSA-N 1 0 350.293 2.509 20 5 FFBDRO CCS(=O)(=O)c1ccccc1CC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000922689171 738186148 /nfs/dbraw/zinc/18/61/48/738186148.db2.gz PCNWPWOHXFTQGF-UHFFFAOYSA-N 1 0 354.453 2.782 20 5 FFBDRO [NH3+]CCN(Cc1cc([N+](=O)[O-])ccc1Br)CC(F)(F)F ZINC000923421167 738281918 /nfs/dbraw/zinc/28/19/18/738281918.db2.gz AYBFOALAAXMZCL-UHFFFAOYSA-N 1 0 356.142 2.680 20 5 FFBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000778010108 738341830 /nfs/dbraw/zinc/34/18/30/738341830.db2.gz LAYTYZFVIDKBQJ-CYBMUJFWSA-N 1 0 373.450 2.537 20 5 FFBDRO CC(C)[NH+]1CCN(CCCOC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000787578885 739148219 /nfs/dbraw/zinc/14/82/19/739148219.db2.gz MZEVDADGFSDSKF-UHFFFAOYSA-N 1 0 369.849 2.821 20 5 FFBDRO COC[C@H]([NH2+]Cc1c(Br)cccc1[N+](=O)[O-])C1CCOCC1 ZINC000930924662 739186298 /nfs/dbraw/zinc/18/62/98/739186298.db2.gz QMONGBFMZYHGFF-AWEZNQCLSA-N 1 0 373.247 2.889 20 5 FFBDRO O=C(Nc1cccc([N+](=O)[O-])c1Cl)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000931296834 739239897 /nfs/dbraw/zinc/23/98/97/739239897.db2.gz ALAMZDJIFJOQFB-ZWNOBZJWSA-N 1 0 370.862 2.950 20 5 FFBDRO C[N@H+]1C[C@H]2CC[C@@H](C1)N2Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000931390008 739258231 /nfs/dbraw/zinc/25/82/31/739258231.db2.gz CFOSWXAXGQNFIJ-TXEJJXNPSA-N 1 0 363.805 2.577 20 5 FFBDRO C[NH+](C)CC1(O)CCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000931481899 739272459 /nfs/dbraw/zinc/27/24/59/739272459.db2.gz WXIAWENBWFYSFJ-UHFFFAOYSA-N 1 0 361.364 2.502 20 5 FFBDRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)C1 ZINC000931610743 739297279 /nfs/dbraw/zinc/29/72/79/739297279.db2.gz QLRXDUGWLDVMPV-CYBMUJFWSA-N 1 0 350.394 2.930 20 5 FFBDRO COC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Br)[C@H]1CCCOC1 ZINC000931755217 739324285 /nfs/dbraw/zinc/32/42/85/739324285.db2.gz QUWVYVCMJYPFLJ-XHDPSFHLSA-N 1 0 373.247 2.889 20 5 FFBDRO CC(C)C[NH+]1CCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000790464581 739458205 /nfs/dbraw/zinc/45/82/05/739458205.db2.gz NZCBZRYVBSHZAA-UHFFFAOYSA-N 1 0 357.813 2.730 20 5 FFBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000790811123 739498518 /nfs/dbraw/zinc/49/85/18/739498518.db2.gz KBSPAYWUKJXJIR-GFCCVEGCSA-N 1 0 357.813 2.873 20 5 FFBDRO C[C@](CO)(Cc1ccc(Cl)cc1)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000933442702 739626640 /nfs/dbraw/zinc/62/66/40/739626640.db2.gz NWFUBVOEZANXHW-QZTJIDSGSA-N 1 0 364.829 2.865 20 5 FFBDRO COC(=O)[C@H]1CCCC[C@@]1(C)[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792873676 739714330 /nfs/dbraw/zinc/71/43/30/739714330.db2.gz UOABRKGPDCMAJU-CZUORRHYSA-N 1 0 351.359 2.715 20 5 FFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CCOC23CCOCC3)c1Br ZINC000934400890 739781841 /nfs/dbraw/zinc/78/18/41/739781841.db2.gz FDBBARPOKGNARY-CYBMUJFWSA-N 1 0 371.231 2.785 20 5 FFBDRO C[N@@H+]1CCCC12CCN(C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N)CC2 ZINC000935219945 739915061 /nfs/dbraw/zinc/91/50/61/739915061.db2.gz UGGLAAJRZYQIAL-UHFFFAOYSA-N 1 0 370.812 2.670 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC1CCN(C(=O)OC)CC1 ZINC000796509537 740148796 /nfs/dbraw/zinc/14/87/96/740148796.db2.gz HSQVXQITOHUSKP-UHFFFAOYSA-N 1 0 351.403 2.562 20 5 FFBDRO CN(C)C(=O)OC[C@@H]1CCCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000796550685 740153009 /nfs/dbraw/zinc/15/30/09/740153009.db2.gz FHFZCTUHEWWDBF-HNNXBMFYSA-N 1 0 351.403 2.526 20 5 FFBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)c1cccc(NS(C)(=O)=O)c1 ZINC000801539102 740628869 /nfs/dbraw/zinc/62/88/69/740628869.db2.gz AUKIVBUMBBVING-NSHDSACASA-N 1 0 367.402 2.956 20 5 FFBDRO Cc1ccc(NC[C@@H](C)N2CC[NH+](C)CC2)c([N+](=O)[O-])c1Br ZINC000804421177 740871169 /nfs/dbraw/zinc/87/11/69/740871169.db2.gz JUQLVMWNPFZVFS-GFCCVEGCSA-N 1 0 371.279 2.714 20 5 FFBDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3ccc([N+](=O)[O-])c(Cl)c3)[C@@H]2C1 ZINC000809788364 741343826 /nfs/dbraw/zinc/34/38/26/741343826.db2.gz RGNSNXOCTAMCDA-LZWOXQAQSA-N 1 0 351.834 2.985 20 5 FFBDRO CCC[N@H+](CC)C[C@@H](C)NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000810117675 741389224 /nfs/dbraw/zinc/38/92/24/741389224.db2.gz TWQNTHRGHZWFGL-LLVKDONJSA-N 1 0 363.867 2.647 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1COC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000811449520 741523961 /nfs/dbraw/zinc/52/39/61/741523961.db2.gz REHKXVCABCRGAF-QGZVFWFLSA-N 1 0 354.378 2.859 20 5 FFBDRO C[C@@H]([NH2+]CC1CN(C(=O)OC(C)(C)C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815599716 741947467 /nfs/dbraw/zinc/94/74/67/741947467.db2.gz YXVQNRCSVDNGFN-LLVKDONJSA-N 1 0 350.419 2.695 20 5 FFBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NOC1CC[NH+](C)CC1 ZINC000816533434 742039710 /nfs/dbraw/zinc/03/97/10/742039710.db2.gz WDXHQUNWPZEUER-UHFFFAOYSA-N 1 0 353.444 2.851 20 5 FFBDRO CC(C)(C)OC(=O)C(C)(C)CC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819383122 742384117 /nfs/dbraw/zinc/38/41/17/742384117.db2.gz IBRZENGMDWBMFG-OAHLLOKOSA-N 1 0 352.431 2.976 20 5 FFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](C2CCOCC2)C2(CO)CCC2)cc1F ZINC000823638420 742952885 /nfs/dbraw/zinc/95/28/85/742952885.db2.gz VXMAYQOBZSXQPT-QGZVFWFLSA-N 1 0 352.406 2.781 20 5 FFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CS(=O)(=O)c3ccccc32)cc1Cl ZINC000824515685 743097441 /nfs/dbraw/zinc/09/74/41/743097441.db2.gz GURGRVXPVKAYHW-GFCCVEGCSA-N 1 0 366.826 2.909 20 5 FFBDRO C[C@H](CNC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N)[NH+]1CCCCC1 ZINC000825581030 743296777 /nfs/dbraw/zinc/29/67/77/743296777.db2.gz VIRBBXAFBOIHBB-SNVBAGLBSA-N 1 0 355.826 2.826 20 5 FFBDRO C[N@@H+]1CC[C@H]2CN(C(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)CC[C@H]21 ZINC000827296192 743550000 /nfs/dbraw/zinc/55/00/00/743550000.db2.gz CUGGXENDNKZWTD-IINYFYTJSA-N 1 0 357.332 2.780 20 5 FFBDRO CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)C[C@H]1[NH+](C)C ZINC000827425995 743573846 /nfs/dbraw/zinc/57/38/46/743573846.db2.gz NYDFWCMZEISIDA-KGLIPLIRSA-N 1 0 357.863 2.674 20 5 FFBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2c(F)c(C)cc([N+](=O)[O-])c2F)C1 ZINC000829160667 745174552 /nfs/dbraw/zinc/17/45/52/745174552.db2.gz FGHCQKDFTUSREP-LBPRGKRZSA-N 1 0 355.385 2.985 20 5 FFBDRO CC(C)C[C@@H](C[NH+]1CCCC1)NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000831782073 745583601 /nfs/dbraw/zinc/58/36/01/745583601.db2.gz BHQRXVCEZSQINF-ZDUSSCGKSA-N 1 0 373.450 2.523 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)cc1Cl ZINC000836251678 746175083 /nfs/dbraw/zinc/17/50/83/746175083.db2.gz NRQUASDZRFKKJU-ZDUSSCGKSA-N 1 0 369.849 2.643 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1Cl ZINC000836271858 746178773 /nfs/dbraw/zinc/17/87/73/746178773.db2.gz NMVHKAMYUIIZHU-STQMWFEESA-N 1 0 369.849 2.786 20 5 FFBDRO O=[N+]([O-])c1cccc(CN2CCC(c3nnc[nH]3)CC2)c1Br ZINC000839501400 746841588 /nfs/dbraw/zinc/84/15/88/746841588.db2.gz DEWKJDURYBIBQF-UHFFFAOYSA-N 1 0 366.219 2.855 20 5 FFBDRO CO[C@@H]([C@H](C)[NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)C1CC1 ZINC000840779442 747181217 /nfs/dbraw/zinc/18/12/17/747181217.db2.gz BVNDJOUYEBFDOI-YHAQOWFVSA-N 1 0 355.822 2.978 20 5 FFBDRO [NH3+][C@H]1CCCO[C@H]1C1CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000841099379 747268908 /nfs/dbraw/zinc/26/89/08/747268908.db2.gz JHIPKGBXPBIXEM-RDJZCZTQSA-N 1 0 353.850 2.967 20 5 FFBDRO [NH3+][C@H]1CCCO[C@H]1C1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000841099182 747269096 /nfs/dbraw/zinc/26/90/96/747269096.db2.gz GVESTRXOAPKMBQ-RDJZCZTQSA-N 1 0 353.850 2.967 20 5 FFBDRO [NH3+][C@@H]1CCO[C@H](C2CCN(Cc3cc(Cl)ccc3[N+](=O)[O-])CC2)C1 ZINC000841104781 747270828 /nfs/dbraw/zinc/27/08/28/747270828.db2.gz SHDANMZUPQLKCE-WBVHZDCISA-N 1 0 353.850 2.967 20 5 FFBDRO C[C@@H]1C[C@@H](NC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000841161473 747284501 /nfs/dbraw/zinc/28/45/01/747284501.db2.gz LIAMEWKMJZGCOI-SCZZXKLOSA-N 1 0 357.208 2.619 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCS(=O)(=O)CC1CC1)CCCC2 ZINC000841747824 747448236 /nfs/dbraw/zinc/44/82/36/747448236.db2.gz DYTLYTCBYOXXQD-QGZVFWFLSA-N 1 0 352.456 2.777 20 5 FFBDRO O=C(CN1CCCC[C@@H]1[C@@H]1CCC[NH2+]1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000842473407 747612444 /nfs/dbraw/zinc/61/24/44/747612444.db2.gz FOBGEXULVFZUSA-DZGCQCFKSA-N 1 0 366.849 2.793 20 5 FFBDRO CC[C@@H]([NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)C(=O)NCc1cccs1 ZINC000842909079 747718388 /nfs/dbraw/zinc/71/83/88/747718388.db2.gz QFYNHAHIVIBBFJ-IAQYHMDHSA-N 1 0 362.455 2.984 20 5 FFBDRO O=[N+]([O-])c1cccc(Br)c1CN1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000843116832 747775871 /nfs/dbraw/zinc/77/58/71/747775871.db2.gz MLOPSRTUFOAIGO-HNNXBMFYSA-N 1 0 354.248 2.933 20 5 FFBDRO CC1(C)Oc2ccsc2[C@@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@@H]1O ZINC000843117136 747775941 /nfs/dbraw/zinc/77/59/41/747775941.db2.gz VITQVQOQOQXFQT-BJJXKVORSA-N 1 0 364.423 2.553 20 5 FFBDRO C[C@H]1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)[C@H]1C[NH3+] ZINC000843347298 747814266 /nfs/dbraw/zinc/81/42/66/747814266.db2.gz TUXIBRLKVLOKMC-UFBFGSQYSA-N 1 0 374.210 2.696 20 5 FFBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000843354340 747816127 /nfs/dbraw/zinc/81/61/27/747816127.db2.gz ZOAWEAGSPWZPHF-QJPTWQEYSA-N 1 0 354.838 2.634 20 5 FFBDRO C[C@@H]1[C@H](C)N(C(=O)c2ccc(Br)c([N+](=O)[O-])c2)[C@@H](C)C[N@@H+]1C ZINC000844640410 748062118 /nfs/dbraw/zinc/06/21/18/748062118.db2.gz HIHULKSWUCLNLS-AXFHLTTASA-N 1 0 370.247 2.910 20 5 FFBDRO COCC[NH2+]C1CCN(Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000844901573 748131764 /nfs/dbraw/zinc/13/17/64/748131764.db2.gz GWZSFKBDLRIKRS-UHFFFAOYSA-N 1 0 372.263 2.558 20 5 FFBDRO C[C@@H]1CN(c2cc(Cl)c(F)cc2[N+](=O)[O-])CC[C@H]1[NH+]1CCN(C)CC1 ZINC000845512339 748273301 /nfs/dbraw/zinc/27/33/01/748273301.db2.gz UXMJBHPUNKGGTO-IUODEOHRSA-N 1 0 370.856 2.850 20 5 FFBDRO CCC[NH+]1CCC(NC(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000848579816 748965078 /nfs/dbraw/zinc/96/50/78/748965078.db2.gz BOTXKCDFYRHZKW-UHFFFAOYSA-N 1 0 357.357 2.557 20 5 FFBDRO C[NH+](C)[C@H]1CCCN(C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)CC1 ZINC000848591473 748968717 /nfs/dbraw/zinc/96/87/17/748968717.db2.gz CUFBBQJZSLHGEQ-LBPRGKRZSA-N 1 0 357.357 2.509 20 5 FFBDRO C[C@@H](CCNS(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)[NH+](C)C ZINC000849428474 749149830 /nfs/dbraw/zinc/14/98/30/749149830.db2.gz BTQWOTORIWEKTK-QMMMGPOBSA-N 1 0 370.258 2.520 20 5 FFBDRO COc1cc(C[NH2+]C[C@]23OCCC[C@H]2C3(F)F)c([N+](=O)[O-])cc1OC ZINC000850378693 749356190 /nfs/dbraw/zinc/35/61/90/749356190.db2.gz PJHHEOYUEBAEAQ-CABCVRRESA-N 1 0 358.341 2.516 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCn1cc(Br)cn1 ZINC000850469166 749369311 /nfs/dbraw/zinc/36/93/11/749369311.db2.gz MGZMDXPELGRJEQ-JTQLQIEISA-N 1 0 369.219 2.913 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCS(=O)(=O)CC(F)(F)F ZINC000850518766 749380055 /nfs/dbraw/zinc/38/00/55/749380055.db2.gz HWICSPFEULMHPR-SNVBAGLBSA-N 1 0 354.350 2.531 20 5 FFBDRO O=[N+]([O-])c1cc(C[N@H+](CCN2CCOCC2)CC2CC2)ccc1Cl ZINC000852636276 749910546 /nfs/dbraw/zinc/91/05/46/749910546.db2.gz RGXYZTZOWTXZJA-UHFFFAOYSA-N 1 0 353.850 2.792 20 5 FFBDRO O=[N+]([O-])c1cccc(Br)c1NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000853240772 750036690 /nfs/dbraw/zinc/03/66/90/750036690.db2.gz FJDJOABGWCFMDB-WDEREUQCSA-N 1 0 356.220 2.632 20 5 FFBDRO C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000044564361 845096175 /nfs/dbraw/zinc/09/61/75/845096175.db2.gz DJIOJIZONJEASN-NSHDSACASA-N 1 0 356.220 2.571 20 5 FFBDRO COc1ccc(C[N@@H+]2C[C@@H]3C[C@]3(O)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000895651270 970807490 /nfs/dbraw/zinc/80/74/90/970807490.db2.gz ZDAVVLHWVOXKBE-JXFKEZNVSA-N 1 0 370.405 2.749 20 5 FFBDRO Cc1ccccc1CCC[NH2+]CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCC1 ZINC001267837743 971448476 /nfs/dbraw/zinc/44/84/76/971448476.db2.gz UQKPYYQMBQLACF-QZTJIDSGSA-N 1 0 359.470 2.611 20 5 FFBDRO CN(CC(C)(C)C[NH+](C)C)C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000890883578 960765994 /nfs/dbraw/zinc/76/59/94/960765994.db2.gz VVTOYHYFCXCLCY-UHFFFAOYSA-N 1 0 360.414 2.508 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])c(Cl)cc1-n1ccc2cc(C[NH3+])cnc21 ZINC001167316213 961736743 /nfs/dbraw/zinc/73/67/43/961736743.db2.gz KFCAASLMOLXQBI-UHFFFAOYSA-N 1 0 360.757 2.832 20 5 FFBDRO CS(=O)(=O)Cn1cc(Nc2ccc3cc4ccc(N)cc4[nH+]c3c2)cn1 ZINC001210789451 962338490 /nfs/dbraw/zinc/33/84/90/962338490.db2.gz MBKVXWAAXNRYIN-UHFFFAOYSA-N 1 0 367.434 2.912 20 5 FFBDRO Cc1c(C[NH2+]Cc2ccc(N3CCO[C@H](C)C3)nc2)cccc1[N+](=O)[O-] ZINC000873014109 1013347133 /nfs/dbraw/zinc/34/71/33/1013347133.db2.gz LCKXVJMKKQRNGK-CQSZACIVSA-N 1 0 356.426 2.813 20 5 FFBDRO CN(C(=O)C[NH2+][C@@]1(C)CCOc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000933371543 964238247 /nfs/dbraw/zinc/23/82/47/964238247.db2.gz RQWGRNFJPUGDSS-IBGZPJMESA-N 1 0 355.394 2.845 20 5 FFBDRO C[C@H]1CCCN(C(=O)Nc2cc(N3CC[NH+](C)CC3)ccc2[N+](=O)[O-])C1 ZINC000934048745 965543387 /nfs/dbraw/zinc/54/33/87/965543387.db2.gz VDNSJIUSOQURTO-AWEZNQCLSA-N 1 0 361.446 2.610 20 5 FFBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000843758279 965660959 /nfs/dbraw/zinc/66/09/59/965660959.db2.gz NFBVGNAGDNKADF-HNNXBMFYSA-N 1 0 359.401 2.945 20 5 FFBDRO Cn1c2ccccc2c(N2CCC3(CC2)CC[NH+](C)CC3)c([N+](=O)[O-])c1=O ZINC000894925783 967106560 /nfs/dbraw/zinc/10/65/60/967106560.db2.gz NHPICRZRXMLLAB-UHFFFAOYSA-N 1 0 370.453 2.759 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC001271075541 968058116 /nfs/dbraw/zinc/05/81/16/968058116.db2.gz UIKVXMDXMBPROV-INIZCTEOSA-N 1 0 354.410 2.550 20 5 FFBDRO C[C@@H](Nc1ccc([N+](=O)[O-])c(-c2ccccc2)n1)[C@@H]1C[N@H+](C)CCN1C ZINC000895247762 968761304 /nfs/dbraw/zinc/76/13/04/968761304.db2.gz WFFKBKSARSTFMK-PBHICJAKSA-N 1 0 355.442 2.703 20 5 FFBDRO C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000895272838 968913272 /nfs/dbraw/zinc/91/32/72/968913272.db2.gz USTDSTZUPKNRLO-NSHDSACASA-N 1 0 362.336 2.619 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(Br)c(O[C@@H]2CCNCC2(F)F)c1 ZINC001218013087 969337129 /nfs/dbraw/zinc/33/71/29/969337129.db2.gz YFWGTRKULZBDLL-SECBINFHSA-N 1 0 355.110 2.872 20 5 FFBDRO O=[N+]([O-])c1cnc2ccc(F)cc2c1NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000892601001 969560792 /nfs/dbraw/zinc/56/07/92/969560792.db2.gz RAIWNOXPJOMIMV-ZDUSSCGKSA-N 1 0 374.416 2.617 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC2CCC(C)([NH+]3CCCC3)CC2)n1 ZINC000895526658 970701143 /nfs/dbraw/zinc/70/11/43/970701143.db2.gz MRNDMTYQMPLOHL-UHFFFAOYSA-N 1 0 362.430 2.985 20 5 FFBDRO C[N@H+](CCCC(=O)[O-])CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001604161741 972577807 /nfs/dbraw/zinc/57/78/07/972577807.db2.gz UTFKECSOXZBOCC-UHFFFAOYSA-N 1 0 363.458 2.646 20 5 FFBDRO C[C@@H](CNC(=O)N1CC[C@H]([NH+]2CCCCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000897071874 973220399 /nfs/dbraw/zinc/22/03/99/973220399.db2.gz YKWAIKLCYFYBNN-HOTGVXAUSA-N 1 0 360.458 2.968 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]Cc3cccc4c3OCC4)CC2)cn1 ZINC000897207274 973437800 /nfs/dbraw/zinc/43/78/00/973437800.db2.gz ZOSOUOLFFKWUKM-UHFFFAOYSA-N 1 0 354.410 2.683 20 5 FFBDRO O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000424027212 975360145 /nfs/dbraw/zinc/36/01/45/975360145.db2.gz MBSUVOSZWDPLOB-HNNXBMFYSA-N 1 0 373.331 2.504 20 5 FFBDRO COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000898481944 976490556 /nfs/dbraw/zinc/49/05/56/976490556.db2.gz XGMGTBVNYDZXGA-XUWXXGDYSA-N 1 0 372.425 2.739 20 5 FFBDRO COC(=O)C1CCC([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000898610570 976569396 /nfs/dbraw/zinc/56/93/96/976569396.db2.gz BSEWRBXHVKMLDO-UHFFFAOYSA-N 1 0 361.442 2.885 20 5 FFBDRO CC1(C)CCC(C[N@@H+]2CCCC3(CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)C2)CC1 ZINC000981764789 976764632 /nfs/dbraw/zinc/76/46/32/976764632.db2.gz DEMCMKNQJPNTBN-IAGOWNOFSA-N 1 0 363.502 2.792 20 5 FFBDRO [NH3+]C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)CC12CCOCC2 ZINC000876869940 1014405853 /nfs/dbraw/zinc/40/58/53/1014405853.db2.gz YLKNKDNZFYLQCS-OAHLLOKOSA-N 1 0 369.421 2.576 20 5 FFBDRO O=[N+]([O-])c1cnc2ccc(F)cc2c1N1CCC[C@H](N2CCOCC2)C1 ZINC000894022822 977637716 /nfs/dbraw/zinc/63/77/16/977637716.db2.gz FPRKHDVSOQYMMY-AWEZNQCLSA-N 1 0 360.389 2.583 20 5 FFBDRO Cc1ccc([C@H](O)C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1 ZINC000876959124 1014433508 /nfs/dbraw/zinc/43/35/08/1014433508.db2.gz HATHSAQBMSFGLP-GOSISDBHSA-N 1 0 356.426 2.590 20 5 FFBDRO O=[N+]([O-])c1cnc2ccc(F)cc2c1N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000894134801 977943530 /nfs/dbraw/zinc/94/35/30/977943530.db2.gz TUPHCHPENOUBLW-UHFFFAOYSA-N 1 0 374.416 2.613 20 5 FFBDRO C[C@H](c1ccccc1)N1CC[C@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000877019889 1014450874 /nfs/dbraw/zinc/45/08/74/1014450874.db2.gz HGSSRDHKOZHHGL-SEEUUAMPSA-N 1 0 355.442 2.920 20 5 FFBDRO CC(C)(C)OC(=O)[C@H](CCCC[NH3+])Nc1c(Cl)nccc1[N+](=O)[O-] ZINC001167947029 978509048 /nfs/dbraw/zinc/50/90/48/978509048.db2.gz DJTWYWBJCXPKQI-JTQLQIEISA-N 1 0 358.826 2.894 20 5 FFBDRO C[NH+](C)CCOc1ccc(NC2CC(n3cc([N+](=O)[O-])cn3)C2)cc1F ZINC000877585354 1014636886 /nfs/dbraw/zinc/63/68/86/1014636886.db2.gz FDMRRIOWKIDMAD-UHFFFAOYSA-N 1 0 363.393 2.686 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CC[C@@H]2CCC3(CCOCC3)CO2)cc1 ZINC000905474880 980442449 /nfs/dbraw/zinc/44/24/49/980442449.db2.gz WPGMENAVMHPDQV-ROUUACIJSA-N 1 0 364.442 2.584 20 5 FFBDRO C[C@@]1(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CCOC2(CCC2)C1 ZINC000905493126 980457357 /nfs/dbraw/zinc/45/73/57/980457357.db2.gz RMHNHKCQJKLWAP-MAUKXSAKSA-N 1 0 364.442 2.664 20 5 FFBDRO O=C(CC[NH2+]Cc1nccc2c1CCCC2)Nc1ccccc1[N+](=O)[O-] ZINC000905515966 980460806 /nfs/dbraw/zinc/46/08/06/980460806.db2.gz HODMJKPTLBKNFQ-UHFFFAOYSA-N 1 0 354.410 2.987 20 5 FFBDRO Cc1nn(C[N@H+]2CCC[C@H](c3ccn(C)n3)C2)c2cc([N+](=O)[O-])ccc12 ZINC000905715996 980496529 /nfs/dbraw/zinc/49/65/29/980496529.db2.gz NHLBCRXCQPZRBY-AWEZNQCLSA-N 1 0 354.414 2.824 20 5 FFBDRO CCC[N@H+](C)CC(C)(C)NC(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC000906054595 980564065 /nfs/dbraw/zinc/56/40/65/980564065.db2.gz ZSGRLEXESCQJQR-UHFFFAOYSA-N 1 0 365.430 2.606 20 5 FFBDRO O=C1NCCC12CC[NH+](Cc1ccc(-c3ccc([N+](=O)[O-])cc3)o1)CC2 ZINC000877783253 1014728401 /nfs/dbraw/zinc/72/84/01/1014728401.db2.gz LUZHOHOZBHQSKH-UHFFFAOYSA-N 1 0 355.394 2.957 20 5 FFBDRO COC(=O)CC[C@H]1CCC[N@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000877820906 1014740626 /nfs/dbraw/zinc/74/06/26/1014740626.db2.gz KEYRNMDGQCVSBK-CYBMUJFWSA-N 1 0 366.414 2.777 20 5 FFBDRO [NH3+]C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)C1CCCCC1 ZINC000155637187 981644531 /nfs/dbraw/zinc/64/45/31/981644531.db2.gz JRBXZXLLAUZPJD-QGZVFWFLSA-N 1 0 360.458 2.832 20 5 FFBDRO Cc1c(NC(=O)N2CCC[C@H]([NH2+]C3CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000877952359 1014783215 /nfs/dbraw/zinc/78/32/15/1014783215.db2.gz KAYVTGWJJKGJJO-HNNXBMFYSA-N 1 0 362.430 2.668 20 5 FFBDRO Cn1ccnc1[C@@H](NCC[N@@H+]1CCC(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000898034993 982600022 /nfs/dbraw/zinc/60/00/22/982600022.db2.gz GADSGMXGXZWBFG-KRWDZBQOSA-N 1 0 357.458 2.739 20 5 FFBDRO O=[N+]([O-])c1ccc(NCC2([NH+]3CCOCC3)CCCCC2)c2nonc21 ZINC000912729899 984102010 /nfs/dbraw/zinc/10/20/10/984102010.db2.gz ZJIWMQWBMJPACT-UHFFFAOYSA-N 1 0 361.402 2.578 20 5 FFBDRO CC[N@H+](CCc1ccccn1)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000764316256 984417984 /nfs/dbraw/zinc/41/79/84/984417984.db2.gz WAPQYKBPIKMBQD-AWEZNQCLSA-N 1 0 372.425 2.890 20 5 FFBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)[N@H+](C)C1CC1 ZINC000057716051 984515334 /nfs/dbraw/zinc/51/53/34/984515334.db2.gz AZAWUZBIPZNZMZ-CQSZACIVSA-N 1 0 360.458 2.798 20 5 FFBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000172355148 985518429 /nfs/dbraw/zinc/51/84/29/985518429.db2.gz BOGJNUKADOLJSJ-HNNXBMFYSA-N 1 0 354.410 2.571 20 5 FFBDRO COc1cccc([C@H](CNc2nc3ccccn3c2[N+](=O)[O-])[NH+](C)C)c1 ZINC000029848069 986460910 /nfs/dbraw/zinc/46/09/10/986460910.db2.gz QSWYFTZGRYFWFB-HNNXBMFYSA-N 1 0 355.398 2.966 20 5 FFBDRO C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000765849812 986742681 /nfs/dbraw/zinc/74/26/81/986742681.db2.gz RCWQGQXPQNUDDX-GUYCJALGSA-N 1 0 358.394 2.968 20 5 FFBDRO COc1cc(Cc2noc(CCCC[NH+]3CCCC3)n2)ccc1[N+](=O)[O-] ZINC000762307871 988286791 /nfs/dbraw/zinc/28/67/91/988286791.db2.gz IIZNGFPRRQQRMA-UHFFFAOYSA-N 1 0 360.414 2.996 20 5 FFBDRO C[NH+](C)CCOc1cccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC000916405567 989787059 /nfs/dbraw/zinc/78/70/59/989787059.db2.gz PUGOHZRHADRFLL-UHFFFAOYSA-N 1 0 374.353 2.696 20 5 FFBDRO Cc1cc(C)c(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c(C)c1 ZINC001034643213 990147349 /nfs/dbraw/zinc/14/73/49/990147349.db2.gz KGLHRGFDVAZZEA-YWTNHNAXSA-N 1 0 359.470 2.794 20 5 FFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(C[NH+](Cc3ccccc3C3CC3)C2)CC1 ZINC001035704170 990528857 /nfs/dbraw/zinc/52/88/57/990528857.db2.gz FRRDJRXXMJLCHB-RTBURBONSA-N 1 0 369.465 2.654 20 5 FFBDRO COc1cccc(C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1[N+](=O)[O-] ZINC000194844332 990590956 /nfs/dbraw/zinc/59/09/56/990590956.db2.gz FODHMQFWOKRBOQ-UONOGXRCSA-N 1 0 361.442 2.986 20 5 FFBDRO CC(C)C[N@@H+]1CCO[C@H](COC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000919521047 990663735 /nfs/dbraw/zinc/66/37/35/990663735.db2.gz ALWMKMCSKJZBRO-AWEZNQCLSA-N 1 0 361.398 2.590 20 5 FFBDRO Cc1cc(C(=O)NCC2CC[NH+](CCC(C)C)CC2)c(N)c([N+](=O)[O-])c1 ZINC000175168103 991168708 /nfs/dbraw/zinc/16/87/08/991168708.db2.gz IZYPADMURYLRPB-UHFFFAOYSA-N 1 0 362.474 2.973 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923505891 991198388 /nfs/dbraw/zinc/19/83/88/991198388.db2.gz DAUZUKHPSUUOHS-MRXNPFEDSA-N 1 0 374.485 2.943 20 5 FFBDRO Cc1c([N+](=O)[O-])cc(C(=O)NC[C@@H](C)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000068115595 991336357 /nfs/dbraw/zinc/33/63/57/991336357.db2.gz YXLPOXWIYOLIPV-GFCCVEGCSA-N 1 0 364.402 2.663 20 5 FFBDRO C[N@H+](CCCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C1CCCCC1 ZINC000069499819 991764147 /nfs/dbraw/zinc/76/41/47/991764147.db2.gz SZHPCLHHYSGKKU-UHFFFAOYSA-N 1 0 364.402 2.887 20 5 FFBDRO O=C(COc1cccc([N+](=O)[O-])c1)NC[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC001132400116 994874406 /nfs/dbraw/zinc/87/44/06/994874406.db2.gz CMQKFSAWAKQCER-QGZVFWFLSA-N 1 0 361.442 2.887 20 5 FFBDRO C[C@@]1(COC(=O)CCn2cc([N+](=O)[O-])cn2)CCC[N@@H+]1Cc1ccccc1 ZINC000747772347 995371944 /nfs/dbraw/zinc/37/19/44/995371944.db2.gz ORYXUMADQVFMCM-IBGZPJMESA-N 1 0 372.425 2.779 20 5 FFBDRO O=C(c1ccc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1)N1CCCC1 ZINC000813099497 995614366 /nfs/dbraw/zinc/61/43/66/995614366.db2.gz USWQYJRBRFWMAF-IBGZPJMESA-N 1 0 369.421 2.654 20 5 FFBDRO C[NH+](C)CCc1ccc(NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)cc1 ZINC000727999859 996109920 /nfs/dbraw/zinc/10/99/20/996109920.db2.gz URCVNQRCBOZINX-UHFFFAOYSA-N 1 0 367.409 2.687 20 5 FFBDRO O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000826752360 1016047507 /nfs/dbraw/zinc/04/75/07/1016047507.db2.gz ZAYJUYNUIWGHFT-SNRMKQJTSA-N 1 0 357.454 2.937 20 5 FFBDRO CC[NH+](CC)[C@@H](CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000824235504 996829798 /nfs/dbraw/zinc/82/97/98/996829798.db2.gz BJPJZUQIIDDVMW-OALUTQOASA-N 1 0 371.437 2.828 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 ZINC000824827937 997118449 /nfs/dbraw/zinc/11/84/49/997118449.db2.gz JUAUQOQEVCDOIO-KGLIPLIRSA-N 1 0 371.359 2.746 20 5 FFBDRO CN(C(=O)c1cc([N+](=O)[O-])ccc1F)c1ccc(OCC[NH+](C)C)cc1 ZINC000732005851 998391395 /nfs/dbraw/zinc/39/13/95/998391395.db2.gz HWWHORYIFVONJE-UHFFFAOYSA-N 1 0 361.373 2.951 20 5 FFBDRO C[C@@H](C[NH+]1CCCC1)OC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000845669908 998628704 /nfs/dbraw/zinc/62/87/04/998628704.db2.gz XCDJSYFCQIAVPF-ZDUSSCGKSA-N 1 0 358.398 2.636 20 5 FFBDRO O=C(C[N@@H+]1CCC[C@H]2CCCC[C@@H]21)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000181084414 998994451 /nfs/dbraw/zinc/99/44/51/998994451.db2.gz WPEMUKSYYJMMQQ-OCCSQVGLSA-N 1 0 361.398 2.917 20 5 FFBDRO CC(C)[C@@H](C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2)[NH+]1CCCC1 ZINC000741010023 999700259 /nfs/dbraw/zinc/70/02/59/999700259.db2.gz AXINOWWAMABAIH-INIZCTEOSA-N 1 0 364.398 2.625 20 5 FFBDRO C[NH+](C)C1(CNc2nc3ccccn3c2[N+](=O)[O-])Cc2ccccc2C1 ZINC000742412082 999772803 /nfs/dbraw/zinc/77/28/03/999772803.db2.gz HJAUQMILTSUQQW-UHFFFAOYSA-N 1 0 351.410 2.754 20 5 FFBDRO CCN(CC)C(=O)[C@]1(c2ccccc2)C[C@@H]1C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168985862 1000012572 /nfs/dbraw/zinc/01/25/72/1000012572.db2.gz VIOGQQCVQLEIFB-KRQVXIAISA-N 1 0 373.497 2.848 20 5 FFBDRO CC(C)(C)OC(=O)N1CCC(F)(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168956544 1000012705 /nfs/dbraw/zinc/01/27/05/1000012705.db2.gz BNSCUNVICQSGIM-UONOGXRCSA-N 1 0 359.442 2.761 20 5 FFBDRO O=C(N[C@H]1CC[C@H]([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1)c1cccc(F)c1 ZINC001168998010 1000014269 /nfs/dbraw/zinc/01/42/69/1000014269.db2.gz HDAYCZCRYUIYSD-XDKFSHSGSA-N 1 0 363.433 2.902 20 5 FFBDRO COc1cc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)ccc1OC1CCOCC1 ZINC001168999062 1000014491 /nfs/dbraw/zinc/01/44/91/1000014491.db2.gz ROPWWGPYXAHQCK-HOTGVXAUSA-N 1 0 364.442 2.788 20 5 FFBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCN(Cc3ccccc3)CC2(F)F)C1 ZINC001169001695 1000014682 /nfs/dbraw/zinc/01/46/82/1000014682.db2.gz HOJANDHRHNDMHJ-BRWVUGGUSA-N 1 0 353.413 2.931 20 5 FFBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2CCC[C@@]3(C[C@@H](Oc4ccccn4)CO3)C2)C1 ZINC001169030392 1000016232 /nfs/dbraw/zinc/01/62/32/1000016232.db2.gz ZKMNCYJJLSMMCP-IMBTUZDBSA-N 1 0 361.442 2.529 20 5 FFBDRO CC(C)(C)OC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169036859 1000016589 /nfs/dbraw/zinc/01/65/89/1000016589.db2.gz QIJDEHQFRWOMBH-QQOZWVEPSA-N 1 0 353.463 2.952 20 5 FFBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCC(Oc3cnc4ccccc4n3)CC2)C1 ZINC001169035821 1000016607 /nfs/dbraw/zinc/01/66/07/1000016607.db2.gz CNDGCIUQGSGXTN-HUUCEWRRSA-N 1 0 356.426 2.918 20 5 FFBDRO O=C(c1ccccc1Cl)N1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169037781 1000016721 /nfs/dbraw/zinc/01/67/21/1000016721.db2.gz UGAAPDJZAMLZOJ-UONOGXRCSA-N 1 0 351.834 2.543 20 5 FFBDRO O=C(c1cccc(Cl)c1)N1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169036995 1000016796 /nfs/dbraw/zinc/01/67/96/1000016796.db2.gz HVKXPFIYFYCTLO-BBRMVZONSA-N 1 0 351.834 2.543 20 5 FFBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2CC[C@H](OCC3CC3)[C@@H]2Cc2cccnc2)C1 ZINC001169019038 1000017392 /nfs/dbraw/zinc/01/73/92/1000017392.db2.gz GKQHJOXLLLWKBB-YRPNKDGESA-N 1 0 359.470 2.939 20 5 FFBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CC[C@H]3O[C@@H](COc4cccnc4)CC[C@H]32)C1 ZINC001169019191 1000017582 /nfs/dbraw/zinc/01/75/82/1000017582.db2.gz FJIHNJWRMDVLAJ-POGZOPGASA-N 1 0 361.442 2.528 20 5 FFBDRO CS(=O)(=O)c1cccc(C2CC[NH+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)c1 ZINC001169054836 1000018996 /nfs/dbraw/zinc/01/89/96/1000018996.db2.gz NTKKTSPJOGZQLA-WMLDXEAASA-N 1 0 366.483 2.715 20 5 FFBDRO CC[N@H+](C[C@@H]1CN(Cc2ccccc2)CCO1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169053547 1000019088 /nfs/dbraw/zinc/01/90/88/1000019088.db2.gz ILKDBAONGHNECZ-UFYCRDLUSA-N 1 0 361.486 2.655 20 5 FFBDRO Cn1cc([C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC2(C)C)cn1 ZINC000846931961 1000482021 /nfs/dbraw/zinc/48/20/21/1000482021.db2.gz OLORIYFLYNEVKE-OAHLLOKOSA-N 1 0 359.386 2.862 20 5 FFBDRO O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1NCC1CC[NH+](C2CC2)CC1 ZINC000770166334 1000703482 /nfs/dbraw/zinc/70/34/82/1000703482.db2.gz HYKDIQLTTIOSTE-UHFFFAOYSA-N 1 0 358.442 2.773 20 5 FFBDRO Cc1c(NCc2ccccc2N2CC[NH2+]CC2)ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001171286518 1000763518 /nfs/dbraw/zinc/76/35/18/1000763518.db2.gz UOIBPUQFMALTGV-UHFFFAOYSA-N 1 0 371.397 2.833 20 5 FFBDRO CC(C)(C)OC(=O)c1ccc(-n2nnc3ccc(C[NH3+])cc32)cc1[N+](=O)[O-] ZINC001170024598 1001058744 /nfs/dbraw/zinc/05/87/44/1001058744.db2.gz WJGGBIDNLSNCJS-UHFFFAOYSA-N 1 0 369.381 2.743 20 5 FFBDRO Cc1cc(O)c(I)c(O[C@@H](C)C[N+](C)(C)C)c1 ZINC001225509999 1034282674 /nfs/dbraw/zinc/28/26/74/1034282674.db2.gz BGNMQUQPGBBXQW-JTQLQIEISA-O 1 0 350.220 2.779 20 5 FFBDRO COc1cc(C(=O)OCC[NH+]2CCCCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000786053793 1001524709 /nfs/dbraw/zinc/52/47/09/1001524709.db2.gz FNAINNFVCJXHBL-UHFFFAOYSA-N 1 0 374.340 2.848 20 5 FFBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000786821105 1001632850 /nfs/dbraw/zinc/63/28/50/1001632850.db2.gz YIIUXHYSDUTOCI-UKRRQHHQSA-N 1 0 354.410 2.742 20 5 FFBDRO Cc1cc(F)ccc1[C@@H](O)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000746669439 1001681805 /nfs/dbraw/zinc/68/18/05/1001681805.db2.gz CLPAQVNUVQOFET-PBHICJAKSA-N 1 0 360.389 2.657 20 5 FFBDRO CCn1cccc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1=O ZINC000788603721 1001831570 /nfs/dbraw/zinc/83/15/70/1001831570.db2.gz DBMLYDLGDGJDQM-UHFFFAOYSA-N 1 0 356.426 2.535 20 5 FFBDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000774320268 1001860943 /nfs/dbraw/zinc/86/09/43/1001860943.db2.gz CMTIRBVZGAXJBR-ZDUSSCGKSA-N 1 0 366.437 2.794 20 5 FFBDRO Cc1ccc2c(=O)c3cccc(CC(=O)N4CCN(C)CC4)c3oc2c1C ZINC001182505768 1001938376 /nfs/dbraw/zinc/93/83/76/1001938376.db2.gz GHOYYULADYFHRU-UHFFFAOYSA-N 1 0 364.445 2.880 20 5 FFBDRO O=C1OCCN1[C@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000826995330 1016545492 /nfs/dbraw/zinc/54/54/92/1016545492.db2.gz ULKWFEVJCGGQSO-HNNXBMFYSA-N 1 0 357.366 2.881 20 5 FFBDRO CCNC(=O)C[C@H]1CCCC[N@@H+]1Cn1nc(C)c2ccc([N+](=O)[O-])cc21 ZINC000789521873 1002106720 /nfs/dbraw/zinc/10/67/20/1002106720.db2.gz UJFZAZBXQLXOGE-CQSZACIVSA-N 1 0 359.430 2.591 20 5 FFBDRO CC[NH+](CC)CCC[C@H](C)NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000746880402 1002284974 /nfs/dbraw/zinc/28/49/74/1002284974.db2.gz ZOGSNLJHBDCVBC-AWEZNQCLSA-N 1 0 361.446 2.571 20 5 FFBDRO COCC[N@H+](Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1)[C@@H]1CC[C@@H](C)C1 ZINC000790477745 1002388096 /nfs/dbraw/zinc/38/80/96/1002388096.db2.gz JHWAFSBIOYLKEK-GDBMZVCRSA-N 1 0 359.430 2.948 20 5 FFBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)[N@@H+]1CCC[C@@H](C)C1 ZINC000791207734 1002617728 /nfs/dbraw/zinc/61/77/28/1002617728.db2.gz CQZJGEUIYDIDHM-OLZOCXBDSA-N 1 0 366.437 2.650 20 5 FFBDRO CC(C)[NH+]1CCN(CCCOC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000792189275 1002939247 /nfs/dbraw/zinc/93/92/47/1002939247.db2.gz KTZHKENIFUSOEV-MRXNPFEDSA-N 1 0 363.458 2.658 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1N(C(N)=[NH2+])c1ccc(N2CCOCC2)cc1 ZINC001170165718 1003000977 /nfs/dbraw/zinc/00/09/77/1003000977.db2.gz GGILIUIBRQNESD-UHFFFAOYSA-N 1 0 355.398 2.771 20 5 FFBDRO C[C@H](OC(=O)c1ccc2c[nH+]cn2c1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000792546270 1003026534 /nfs/dbraw/zinc/02/65/34/1003026534.db2.gz LVZKUEFWVGPMNL-JTQLQIEISA-N 1 0 372.312 2.566 20 5 FFBDRO COc1ccc(C[C@H](C)[NH2+]C[C@@H](O)COc2ccccc2)c([N+](=O)[O-])c1 ZINC001170296741 1003090062 /nfs/dbraw/zinc/09/00/62/1003090062.db2.gz IADRYIAPMLOXNS-GOEBONIOSA-N 1 0 360.410 2.564 20 5 FFBDRO COc1ccc(C[C@@H](C)[NH2+][C@@H]2Cc3ccccc3NC2=O)c([N+](=O)[O-])c1 ZINC001170296645 1003090258 /nfs/dbraw/zinc/09/02/58/1003090258.db2.gz HFMPJJPELQXQCP-SJKOYZFVSA-N 1 0 355.394 2.687 20 5 FFBDRO COc1ccc(C[C@@H](C)[NH2+][C@H](C)c2nnc3ccccn32)c([N+](=O)[O-])c1 ZINC001170298381 1003091446 /nfs/dbraw/zinc/09/14/46/1003091446.db2.gz KRURJGLFJDUQQT-CHWSQXEVSA-N 1 0 355.398 2.928 20 5 FFBDRO COC(=O)c1csc(C[NH2+][C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])n1 ZINC001170298339 1003092065 /nfs/dbraw/zinc/09/20/65/1003092065.db2.gz JFNHCCKWKWPXLM-JTQLQIEISA-N 1 0 365.411 2.567 20 5 FFBDRO COc1ccc(C[C@@H](C)[NH2+][C@H]2CCCC3(C2)OCCO3)c([N+](=O)[O-])c1 ZINC001170317771 1003108372 /nfs/dbraw/zinc/10/83/72/1003108372.db2.gz LHQXLAMGRTXSRF-HIFRSBDPSA-N 1 0 350.415 2.810 20 5 FFBDRO COC(=O)C[C@H]([NH2+][C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])c1ccccn1 ZINC001170319671 1003108848 /nfs/dbraw/zinc/10/88/48/1003108848.db2.gz YLTCGFBFMABKBA-DYVFJYSZSA-N 1 0 373.409 2.823 20 5 FFBDRO COc1ccc(C[C@H](C)[NH2+]C2CCN(c3ccncn3)CC2)c([N+](=O)[O-])c1 ZINC001170327383 1003114788 /nfs/dbraw/zinc/11/47/88/1003114788.db2.gz QFOSPLONFGCOEF-AWEZNQCLSA-N 1 0 371.441 2.583 20 5 FFBDRO COc1ccc(C[C@H](C)[N@H+](C(C)C)[C@@H]2CCN(C(C)=O)C2)c([N+](=O)[O-])c1 ZINC001170354651 1003121035 /nfs/dbraw/zinc/12/10/35/1003121035.db2.gz NMDSRKDFAOHRGN-WMLDXEAASA-N 1 0 363.458 2.866 20 5 FFBDRO C[N@H+]1C[C@H]2[C@@H](CCN2c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])C1 ZINC001186571357 1003348203 /nfs/dbraw/zinc/34/82/03/1003348203.db2.gz IGQQDROIGDIOFU-LPHOPBHVSA-N 1 0 351.406 2.966 20 5 FFBDRO Cc1cc(S(=O)(=O)N2CCC(C)(C)[NH2+]C(C)(C)C2)cc([N+](=O)[O-])c1F ZINC001196121438 1003683597 /nfs/dbraw/zinc/68/35/97/1003683597.db2.gz RJWZBVRJUJNRLJ-UHFFFAOYSA-N 1 0 373.450 2.584 20 5 FFBDRO C[C@@]1(CNc2cc(N)c([N+](=O)[O-])c(CO)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000804684297 1003782651 /nfs/dbraw/zinc/78/26/51/1003782651.db2.gz YCOHYMLYUNNKTR-FQEVSTJZSA-N 1 0 370.453 2.993 20 5 FFBDRO CCN(C)C(=O)OC[C@H]1CCCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000805763145 1004138115 /nfs/dbraw/zinc/13/81/15/1004138115.db2.gz PUFOHAUYELQHDV-IAGOWNOFSA-N 1 0 365.430 2.571 20 5 FFBDRO C[C@@H]1CCC[N@@H+]1CCNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC001198583694 1004683614 /nfs/dbraw/zinc/68/36/14/1004683614.db2.gz FJNOTRUTWZAGGD-SNVBAGLBSA-N 1 0 358.345 2.802 20 5 FFBDRO COC(=O)N1CCC[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC001199991479 1005068111 /nfs/dbraw/zinc/06/81/11/1005068111.db2.gz XWCBOYQLPFCYFH-NSHDSACASA-N 1 0 359.329 2.517 20 5 FFBDRO COc1cccc([C@H](C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)N(C)C)c1 ZINC000776270234 1005335349 /nfs/dbraw/zinc/33/53/49/1005335349.db2.gz AZTYDPZLTUPNKA-RBUKOAKNSA-N 1 0 359.426 2.529 20 5 FFBDRO CC(=O)Nc1cccc2c1CC[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000776274222 1005340296 /nfs/dbraw/zinc/34/02/96/1005340296.db2.gz CGXSZUOOFXCHIE-IBGZPJMESA-N 1 0 355.394 2.645 20 5 FFBDRO C[N@@H+](Cc1ccccc1N1CCOCC1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776276613 1005342672 /nfs/dbraw/zinc/34/26/72/1005342672.db2.gz OCXIIQLPLMMQDK-FQEVSTJZSA-N 1 0 371.437 2.597 20 5 FFBDRO Cc1cc(F)cc(C(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)c1[N+](=O)[O-] ZINC000851645372 1005902897 /nfs/dbraw/zinc/90/28/97/1005902897.db2.gz IVGIAMHNOXSEDE-MRXNPFEDSA-N 1 0 359.357 2.956 20 5 FFBDRO CC(C)[C@H](C)NC(=O)C1CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776580947 1005961400 /nfs/dbraw/zinc/96/14/00/1005961400.db2.gz AIIODEDASDBEMY-KSSFIOAISA-N 1 0 363.458 2.501 20 5 FFBDRO C[NH+](C)CCOc1cc(NCc2cccc3ccnn32)ccc1[N+](=O)[O-] ZINC001170707917 1005965617 /nfs/dbraw/zinc/96/56/17/1005965617.db2.gz YFCFDHOUJKNMBY-UHFFFAOYSA-N 1 0 355.398 2.795 20 5 FFBDRO COc1cccc(C[C@H]2CN(c3c(Cl)cncc3[N+](=O)[O-])CC[NH2+]2)c1 ZINC001187932290 1006327158 /nfs/dbraw/zinc/32/71/58/1006327158.db2.gz UUFSKBSIKIUUTP-ZDUSSCGKSA-N 1 0 362.817 2.673 20 5 FFBDRO COCC[N@H+](Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1)[C@@H]1CC[C@H](C)C1 ZINC000853507865 1006421405 /nfs/dbraw/zinc/42/14/05/1006421405.db2.gz CHSCVPGGFXIYEQ-LSDHHAIUSA-N 1 0 359.430 2.948 20 5 FFBDRO Cc1nn(C[N@H+]2CC[C@H](N(C)c3ccccc3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000853584158 1006460255 /nfs/dbraw/zinc/46/02/55/1006460255.db2.gz GLQZQXUANNNMFO-INIZCTEOSA-N 1 0 366.425 2.816 20 5 FFBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CN1CC[C@@H](Oc2ccccc2)C1 ZINC000853593125 1006466062 /nfs/dbraw/zinc/46/60/62/1006466062.db2.gz DZLNPBCWOBZNEH-OAHLLOKOSA-N 1 0 355.350 2.614 20 5 FFBDRO CC1C[C@H]2CC[C@@H](C1)[N@H+]2CN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000853605220 1006471134 /nfs/dbraw/zinc/47/11/34/1006471134.db2.gz IBVMXSOVSVMADX-QKEZJILASA-N 1 0 372.425 2.582 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ncn(C[N@H+]3C[C@]45COC[C@@]4(C3)CCCC5)n2)cc1 ZINC000853622965 1006480394 /nfs/dbraw/zinc/48/03/94/1006480394.db2.gz CISKUNSBVHHZGH-KDURUIRLSA-N 1 0 369.425 2.703 20 5 FFBDRO CC(=O)c1ccc([N+](=O)[O-])cc1NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000853796516 1006538826 /nfs/dbraw/zinc/53/88/26/1006538826.db2.gz WQXJEYSLKDMRAS-SFHVURJKSA-N 1 0 369.421 2.976 20 5 FFBDRO Cc1c([N+](=O)[O-])cc(C(=O)NC2CCC(C[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000130425399 1006550399 /nfs/dbraw/zinc/55/03/99/1006550399.db2.gz FHIQPLKHCSQLJA-UHFFFAOYSA-N 1 0 364.402 2.662 20 5 FFBDRO C[NH+](C)C1CCC2(CC1)CCN(C(=O)c1ccc(N)c([N+](=O)[O-])c1)CC2 ZINC000854675452 1006948321 /nfs/dbraw/zinc/94/83/21/1006948321.db2.gz GZKOQWZSLXKHOV-UHFFFAOYSA-N 1 0 360.458 2.904 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ncn(C[N@@H+]3CCC[C@@H]3C3CCOCC3)n2)cc1 ZINC000776770292 1007060608 /nfs/dbraw/zinc/06/06/08/1007060608.db2.gz SBPVIEYFZACPMM-QGZVFWFLSA-N 1 0 357.414 2.702 20 5 FFBDRO Cc1c([N+](=O)[O-])cc(C(=O)NCc2ccccc2C[NH+](C)C)cc1[N+](=O)[O-] ZINC000009917247 1007066930 /nfs/dbraw/zinc/06/69/30/1007066930.db2.gz HFAUNZHOWGMTIH-UHFFFAOYSA-N 1 0 372.381 2.803 20 5 FFBDRO CCc1noc(C[C@@]2(O)CCC[N@@H+]([C@@H](C)c3cc([N+](=O)[O-])ccc3C)C2)n1 ZINC000856677258 1007943953 /nfs/dbraw/zinc/94/39/53/1007943953.db2.gz NCTHIZYSVVPLQS-LIRRHRJNSA-N 1 0 374.441 2.979 20 5 FFBDRO CC(C)[C@@H](CC[N@H+](C)CCn1cc([N+](=O)[O-])cn1)NC(=O)OC(C)(C)C ZINC001191289583 1007956332 /nfs/dbraw/zinc/95/63/32/1007956332.db2.gz PWAGDRSUEGBVEA-OAHLLOKOSA-N 1 0 369.466 2.663 20 5 FFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]Cc2ccc(N3CCCCC3)nc2)c1 ZINC000818961024 1007979833 /nfs/dbraw/zinc/97/98/33/1007979833.db2.gz NHYKKXLAJSZRID-SFHVURJKSA-N 1 0 356.426 2.803 20 5 FFBDRO CC(C)Oc1cccc(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000818965208 1007981426 /nfs/dbraw/zinc/98/14/26/1007981426.db2.gz QQVZNIVCZAXMQI-INIZCTEOSA-N 1 0 360.410 2.912 20 5 FFBDRO O=C(CCC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)N1Cc2ccccc2C1 ZINC000819056099 1008020952 /nfs/dbraw/zinc/02/09/52/1008020952.db2.gz YXEQJQGFNXVUQZ-LJQANCHMSA-N 1 0 369.421 2.540 20 5 FFBDRO COC(=O)Nc1ccc(CC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000819086757 1008030198 /nfs/dbraw/zinc/03/01/98/1008030198.db2.gz XCXBTXMCOYUIBH-KRWDZBQOSA-N 1 0 359.382 2.639 20 5 FFBDRO CN(C)c1ccc(NC(=O)CC[NH2+]CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000819190143 1008061776 /nfs/dbraw/zinc/06/17/76/1008061776.db2.gz HITLWMLHDKWHEW-UHFFFAOYSA-N 1 0 356.426 2.822 20 5 FFBDRO Cc1ccc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c(N2CCCC2)n1 ZINC000819219081 1008075037 /nfs/dbraw/zinc/07/50/37/1008075037.db2.gz BVQBRTGSBRAHJN-GOSISDBHSA-N 1 0 356.426 2.722 20 5 FFBDRO Cc1ccc(C2=NO[C@H](C[NH2+]C[C@H](O)c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000819292663 1008084679 /nfs/dbraw/zinc/08/46/79/1008084679.db2.gz VMUUGWWRGDZSJD-HKUYNNGSSA-N 1 0 355.394 2.719 20 5 FFBDRO CC[NH+]1CCN(c2ccc(NC[C@H](O)c3cccc([N+](=O)[O-])c3)cc2)CC1 ZINC000819395365 1008113537 /nfs/dbraw/zinc/11/35/37/1008113537.db2.gz KDFKNWKHLXPKJC-FQEVSTJZSA-N 1 0 370.453 2.882 20 5 FFBDRO O=C(N1CCC([NH2+]CC2CC2)CC1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857768530 1008203983 /nfs/dbraw/zinc/20/39/83/1008203983.db2.gz SXYGHHLRTCROMD-UHFFFAOYSA-N 1 0 369.368 2.557 20 5 FFBDRO O=[N+]([O-])c1c(N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)nc2ccccn21 ZINC000819946273 1008262590 /nfs/dbraw/zinc/26/25/90/1008262590.db2.gz KLNUWWXMQBACCO-DLBZAZTESA-N 1 0 363.421 2.953 20 5 FFBDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cc([N+](=O)[O-])cc3ccccc32)C1 ZINC000858177992 1008318531 /nfs/dbraw/zinc/31/85/31/1008318531.db2.gz JGXUNECFEXWKLX-KRWDZBQOSA-N 1 0 371.437 2.835 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000820673873 1008359547 /nfs/dbraw/zinc/35/95/47/1008359547.db2.gz MOSFXFRDPPSMBT-GJZGRUSLSA-N 1 0 363.458 2.831 20 5 FFBDRO C[C@H](NC(=O)Nc1ccc2c(c1)OCC[NH2+]C2)c1ccc([N+](=O)[O-])cc1 ZINC000859751147 1008647035 /nfs/dbraw/zinc/64/70/35/1008647035.db2.gz CKRNKZJZQORNON-LBPRGKRZSA-N 1 0 356.382 2.960 20 5 FFBDRO C[C@@H](C[NH+]1CCCC1)OC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1 ZINC000860849516 1009173205 /nfs/dbraw/zinc/17/32/05/1009173205.db2.gz UWVVJCYRVROYCW-LBPRGKRZSA-N 1 0 362.361 2.561 20 5 FFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cc(=O)n2ccccc2n1 ZINC001179060517 1009237216 /nfs/dbraw/zinc/23/72/16/1009237216.db2.gz QIJJFQCHODUYEK-ZROIWOOFSA-N 1 0 350.378 2.796 20 5 FFBDRO C[N@@H+]1CC[C@H](NC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000823956535 1009277636 /nfs/dbraw/zinc/27/76/36/1009277636.db2.gz SKSUWUJSSLDTLM-RDJZCZTQSA-N 1 0 355.398 2.744 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134873190 1009496656 /nfs/dbraw/zinc/49/66/56/1009496656.db2.gz AEJMGEZJPBMYLI-DNVCBOLYSA-N 1 0 372.469 2.790 20 5 FFBDRO C[N@@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000861825787 1009574457 /nfs/dbraw/zinc/57/44/57/1009574457.db2.gz YLUHYBVXRWERTG-RBUKOAKNSA-N 1 0 369.421 2.683 20 5 FFBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)C1 ZINC000889623030 1010033040 /nfs/dbraw/zinc/03/30/40/1010033040.db2.gz RPFFDCBIXOTFLZ-PBHICJAKSA-N 1 0 368.437 2.887 20 5 FFBDRO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCC([NH2+]C2CCC2)CC1 ZINC000889840672 1010149644 /nfs/dbraw/zinc/14/96/44/1010149644.db2.gz OLSCKQCCIQFOGF-UHFFFAOYSA-N 1 0 372.469 2.942 20 5 FFBDRO C[C@@H](CCN1C(=O)N[C@](C)(c2cccc([N+](=O)[O-])c2)C1=O)[NH+]1CCCCC1 ZINC000863506992 1010231855 /nfs/dbraw/zinc/23/18/55/1010231855.db2.gz MCIUMLYEYBBBLB-IFXJQAMLSA-N 1 0 374.441 2.626 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)c1C ZINC000890280603 1010337276 /nfs/dbraw/zinc/33/72/76/1010337276.db2.gz DFOKYWMAFBFMDH-UHFFFAOYSA-N 1 0 357.414 2.927 20 5 FFBDRO O=C(Cc1cccc(F)c1[N+](=O)[O-])NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000864520122 1010491367 /nfs/dbraw/zinc/49/13/67/1010491367.db2.gz KKMAJHNBIDLMED-OAHLLOKOSA-N 1 0 361.373 2.823 20 5 FFBDRO O=C(Cc1cccc(F)c1[N+](=O)[O-])N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000864630504 1010535326 /nfs/dbraw/zinc/53/53/26/1010535326.db2.gz MZXZTQVXNYGATF-MRXNPFEDSA-N 1 0 357.385 2.667 20 5 FFBDRO O=C(Cc1cccc(F)c1[N+](=O)[O-])NCCC[N@@H+]1CCc2ccccc2C1 ZINC000864823831 1010589488 /nfs/dbraw/zinc/58/94/88/1010589488.db2.gz UJBVMYMIRNTLLQ-UHFFFAOYSA-N 1 0 371.412 2.841 20 5 FFBDRO CN1CC[NH+](C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CC1 ZINC000866213475 1010952893 /nfs/dbraw/zinc/95/28/93/1010952893.db2.gz VUDZBOPCULHLMY-UHFFFAOYSA-N 1 0 372.391 2.830 20 5 FFBDRO CCCCNC(=O)[C@H]1CCC[N@H+](Cn2nc(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000121141918 1011022356 /nfs/dbraw/zinc/02/23/56/1011022356.db2.gz VYQFKHZAZRZEFJ-HNNXBMFYSA-N 1 0 373.457 2.839 20 5 FFBDRO CCNC(=O)OC[C@@H]1CCCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000796170016 1011234510 /nfs/dbraw/zinc/23/45/10/1011234510.db2.gz DSINJSWFEJKYOH-INIZCTEOSA-N 1 0 365.430 2.964 20 5 FFBDRO O=C1NCCCC12CC[NH+]([C@H]1CCc3ccc([N+](=O)[O-])cc3CC1)CC2 ZINC001172914795 1012095950 /nfs/dbraw/zinc/09/59/50/1012095950.db2.gz IYECLBADPRSEMZ-KRWDZBQOSA-N 1 0 357.454 2.834 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1CCCN(c3ncccn3)CC1)CC2 ZINC001172914483 1012097362 /nfs/dbraw/zinc/09/73/62/1012097362.db2.gz GXGZYBNDHGOCDL-SFHVURJKSA-N 1 0 367.453 2.845 20 5 FFBDRO [NH3+]Cc1ccc(-c2nnn([C@@H]3CCc4ccc([N+](=O)[O-])cc4CC3)n2)cc1 ZINC001172909531 1012122831 /nfs/dbraw/zinc/12/28/31/1012122831.db2.gz SIYVRTZGDMWYGF-QGZVFWFLSA-N 1 0 364.409 2.827 20 5 FFBDRO C[C@@H]1CN(C2C[NH+]([C@H]3CCc4ccc([N+](=O)[O-])cc4CC3)C2)C[C@@H](C)O1 ZINC001172911627 1012124881 /nfs/dbraw/zinc/12/48/81/1012124881.db2.gz DBOKHDLKGFEUDW-RKVPGOIHSA-N 1 0 359.470 2.636 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H](N1CCO[C@H](C[NH+]3CCCC3)C1)CC2 ZINC001172912216 1012124940 /nfs/dbraw/zinc/12/49/40/1012124940.db2.gz JTVBXYPWAGEEIE-UYAOXDASSA-N 1 0 359.470 2.639 20 5 FFBDRO CCN(CC)CC[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173006989 1012176241 /nfs/dbraw/zinc/17/62/41/1012176241.db2.gz HJGOCJZHOIEXNK-UHFFFAOYSA-N 1 0 356.417 2.773 20 5 FFBDRO C[C@]1(CO)CC[N@@H+](C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)C1 ZINC001173010564 1012178528 /nfs/dbraw/zinc/17/85/28/1012178528.db2.gz VAPHEEQIPSDTAD-KRWDZBQOSA-N 1 0 355.385 2.546 20 5 FFBDRO C[C@@H]1CC[N@@H+](C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)CC[C@@H]1O ZINC001173010579 1012178650 /nfs/dbraw/zinc/17/86/50/1012178650.db2.gz VLHVJDAPEPGJQD-PXAZEXFGSA-N 1 0 369.412 2.935 20 5 FFBDRO CC1(C)C[C@H](C[NH2+]C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)O1 ZINC001173011200 1012181574 /nfs/dbraw/zinc/18/15/74/1012181574.db2.gz UOBQWGPXCZDSGD-CYBMUJFWSA-N 1 0 355.385 2.999 20 5 FFBDRO CCN1CC[N@@H+](C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)[C@H](C)C1 ZINC001173017233 1012188890 /nfs/dbraw/zinc/18/88/90/1012188890.db2.gz ZXAJRWDEJVQIQF-CYBMUJFWSA-N 1 0 368.428 2.868 20 5 FFBDRO C[C@H]1C[C@@H](O)CC[N@@H+]1C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173018629 1012189521 /nfs/dbraw/zinc/18/95/21/1012189521.db2.gz XRZREGGGRIXDPZ-FZMZJTMJSA-N 1 0 355.385 2.687 20 5 FFBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc(-c2cccc(O[C@@H]3CC[NH2+]C3)c2)n1 ZINC001217103708 1032611012 /nfs/dbraw/zinc/61/10/12/1032611012.db2.gz DYRFJCVQNUOANR-CYBMUJFWSA-N 1 0 371.328 2.587 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]Cc2ccc3nonc3c2)c1F ZINC001173176442 1012320173 /nfs/dbraw/zinc/32/01/73/1012320173.db2.gz HHGHMKZWLYGENM-SNVBAGLBSA-N 1 0 360.345 3.000 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C2CN(c3ccccn3)C2)c1F ZINC001173181720 1012323677 /nfs/dbraw/zinc/32/36/77/1012323677.db2.gz PUWSEOALIFLBEB-LBPRGKRZSA-N 1 0 360.389 2.547 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2CCC[C@@](F)(CO)CC2)c1F ZINC001173180025 1012325361 /nfs/dbraw/zinc/32/53/61/1012325361.db2.gz ICRAJDFRILJDPH-PXAZEXFGSA-N 1 0 358.385 2.860 20 5 FFBDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C1 ZINC001173186370 1012329758 /nfs/dbraw/zinc/32/97/58/1012329758.db2.gz RNBCDSZEHHKUPL-XQQFMLRXSA-N 1 0 368.405 2.995 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2C[C@H]3C[C@@]3(C[NH+](C)C)C2)c1F ZINC001173193966 1012337883 /nfs/dbraw/zinc/33/78/83/1012337883.db2.gz VTAJJBHDQBHCIM-VEVIJQCQSA-N 1 0 351.422 2.557 20 5 FFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCNC(=O)c1ccc(Cl)cn1 ZINC001173216051 1012347800 /nfs/dbraw/zinc/34/78/00/1012347800.db2.gz BSGXTVGXOUCNOJ-LBPRGKRZSA-N 1 0 362.817 2.594 20 5 FFBDRO CCOC[C@H]1C[N@@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)Cc2c1cnn2C ZINC001173220683 1012352772 /nfs/dbraw/zinc/35/27/72/1012352772.db2.gz BUVZUAGKQMYRQU-GOEBONIOSA-N 1 0 358.442 2.895 20 5 FFBDRO CCOC(=O)Cn1nc(C)c(C[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)c1C ZINC001173225977 1012361498 /nfs/dbraw/zinc/36/14/98/1012361498.db2.gz KJDXJUYFCOMBRJ-ZDUSSCGKSA-N 1 0 374.441 2.692 20 5 FFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCN(c2nccc(Cl)n2)CC1 ZINC001173234228 1012365992 /nfs/dbraw/zinc/36/59/92/1012365992.db2.gz QELYHRVPDHUDDF-CYBMUJFWSA-N 1 0 361.833 2.791 20 5 FFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@]12C[C@H]1CN(C(=O)c1ccco1)C2 ZINC001173213834 1012370672 /nfs/dbraw/zinc/37/06/72/1012370672.db2.gz LARXVLTVKISLRQ-WTANOLMUSA-N 1 0 355.394 2.623 20 5 FFBDRO COc1cc(C)nc(O[C@@H]2CC[N@@H+]([C@@H](C)Cc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC001173237130 1012382490 /nfs/dbraw/zinc/38/24/90/1012382490.db2.gz IAZCJIVNXHLWAZ-WMLDXEAASA-N 1 0 372.425 2.786 20 5 FFBDRO O=[N+]([O-])c1ccc(NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c(Br)c1 ZINC000252539384 1012559688 /nfs/dbraw/zinc/55/96/88/1012559688.db2.gz BMPJQSJHTCPVEQ-RYUDHWBXSA-N 1 0 356.220 2.632 20 5 FFBDRO CCC1([NH2+]C2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CCC1 ZINC001173697564 1012902739 /nfs/dbraw/zinc/90/27/39/1012902739.db2.gz NLLDOAXGOUKTAQ-UHFFFAOYSA-N 1 0 367.471 2.670 20 5 FFBDRO C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccccn1)c1ccc([N+](=O)[O-])cc1 ZINC000925233625 1017672869 /nfs/dbraw/zinc/67/28/69/1017672869.db2.gz ZDFXFLVKOYHYAR-OAHLLOKOSA-N 1 0 371.441 2.824 20 5 FFBDRO Nc1ccc2c(c1)C[N@H+]([C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)CCO2 ZINC000925755798 1017839125 /nfs/dbraw/zinc/83/91/25/1017839125.db2.gz YMVREPUAXFRCSZ-HZPDHXFCSA-N 1 0 357.414 2.752 20 5 FFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](C[C@@H]3CCC[C@@H](C(F)(F)F)O3)C2)nc1 ZINC000929989946 1019795364 /nfs/dbraw/zinc/79/53/64/1019795364.db2.gz TYSHQFMLJZIBCS-XBFCOCLRSA-N 1 0 374.363 2.976 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000930397789 1020018406 /nfs/dbraw/zinc/01/84/06/1020018406.db2.gz PLFUXPYBODNUQZ-UHFFFAOYSA-N 1 0 371.441 2.767 20 5 FFBDRO CC[NH+]1CCC(NC(=O)COc2ccc([N+](=O)[O-])c3ccccc23)CC1 ZINC000902293678 1020063141 /nfs/dbraw/zinc/06/31/41/1020063141.db2.gz LETOTTVEUGZJNM-UHFFFAOYSA-N 1 0 357.410 2.727 20 5 FFBDRO CC(C)[NH+]1CCC(NC(=O)COc2ccc([N+](=O)[O-])c3ncccc23)CC1 ZINC000902339860 1020113201 /nfs/dbraw/zinc/11/32/01/1020113201.db2.gz HFGAPWYMYUNLFH-UHFFFAOYSA-N 1 0 372.425 2.511 20 5 FFBDRO Cc1cn(C)nc1CN(Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000930810783 1020197437 /nfs/dbraw/zinc/19/74/37/1020197437.db2.gz SWWMUHQSYIDVGT-QAQDUYKDSA-N 1 0 358.442 2.942 20 5 FFBDRO CCC(CC)[N@H+](CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O)C1CC1 ZINC000726586260 1020488937 /nfs/dbraw/zinc/48/89/37/1020488937.db2.gz VVHOETOPSUSILZ-UHFFFAOYSA-N 1 0 360.414 2.974 20 5 FFBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000931725076 1020564552 /nfs/dbraw/zinc/56/45/52/1020564552.db2.gz NNGIJRPYYMMTJF-XPKDYRNWSA-N 1 0 357.414 2.874 20 5 FFBDRO Cc1nn(C[N@H+]2CCC[C@H](c3ccnn3C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000800858633 1020604500 /nfs/dbraw/zinc/60/45/00/1020604500.db2.gz AXXFEGWXKJDUDK-AWEZNQCLSA-N 1 0 354.414 2.824 20 5 FFBDRO O=[N+]([O-])c1ccc(F)c(Br)c1O[C@H]1CCC[NH2+]C[C@H]1F ZINC001217948052 1032913585 /nfs/dbraw/zinc/91/35/85/1032913585.db2.gz LJQZPRQJXAYVBM-SCZZXKLOSA-N 1 0 351.147 2.965 20 5 FFBDRO O=[N+]([O-])c1cc(O[C@H]2C[NH2+]CCC[C@@H]2F)c(F)cc1Br ZINC001217978254 1032929598 /nfs/dbraw/zinc/92/95/98/1032929598.db2.gz AUPMGMRWMKROJA-UFBFGSQYSA-N 1 0 351.147 2.965 20 5 FFBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@H]1CC2(CCC2)Oc2ccccc21 ZINC000932214363 1020744698 /nfs/dbraw/zinc/74/46/98/1020744698.db2.gz COBXLNFPYSTBGR-INIZCTEOSA-N 1 0 355.394 2.793 20 5 FFBDRO O=C1[C@@H]([NH2+][C@H](c2ccccn2)C2CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000932382370 1020787473 /nfs/dbraw/zinc/78/74/73/1020787473.db2.gz SKLXTRRKZGLDHZ-ROUUACIJSA-N 1 0 352.394 2.836 20 5 FFBDRO CC(C)O[C@@]1(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCOC1 ZINC000903360371 1020805226 /nfs/dbraw/zinc/80/52/26/1020805226.db2.gz JYSRLJOHDHDUCN-LJQANCHMSA-N 1 0 363.458 2.737 20 5 FFBDRO C[C@H]1C[N@H+](Cc2cccnc2[N+](=O)[O-])CC[C@H]1CNC(=O)OC(C)(C)C ZINC000932709606 1020880923 /nfs/dbraw/zinc/88/09/23/1020880923.db2.gz JUGQOYSZLABFNR-KBPBESRZSA-N 1 0 364.446 2.973 20 5 FFBDRO CCN1C[C@@H](C[N@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)Oc2ccccc21 ZINC000749663472 1021018044 /nfs/dbraw/zinc/01/80/44/1021018044.db2.gz FUEGTQJNDFHKSF-IEBWSBKVSA-N 1 0 371.437 2.848 20 5 FFBDRO CN(C(=O)OC(C)(C)C)[C@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000749805262 1021038713 /nfs/dbraw/zinc/03/87/13/1021038713.db2.gz AABQUUOSXMJYJZ-HNNXBMFYSA-N 1 0 365.430 2.915 20 5 FFBDRO COc1ccc(C[N@H+](CCCO)C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000934505742 1021265962 /nfs/dbraw/zinc/26/59/62/1021265962.db2.gz YVSGHPZTNUNMEK-IBGZPJMESA-N 1 0 360.410 2.521 20 5 FFBDRO CN(C(=O)C[N@@H+]1CCCC[C@@H]([C@H]2CCOC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000934844349 1021425930 /nfs/dbraw/zinc/42/59/30/1021425930.db2.gz YZIPSESVWNNVGW-CVEARBPZSA-N 1 0 361.442 2.696 20 5 FFBDRO Cc1c(Br)cnc(O[C@@H]2CCC[C@]23CC[NH2+]C3)c1[N+](=O)[O-] ZINC001218098880 1032994590 /nfs/dbraw/zinc/99/45/90/1032994590.db2.gz XAXJAOULEBBBGS-BXUZGUMPSA-N 1 0 356.220 2.972 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CCc1c(F)cccc1Cl ZINC001118149719 1022093154 /nfs/dbraw/zinc/09/31/54/1022093154.db2.gz NETCZGWTWCPANT-LBPRGKRZSA-N 1 0 368.792 2.959 20 5 FFBDRO C[C@@H]1CN(C(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CCN1c1cc[nH+]cc1 ZINC000829216107 1033047924 /nfs/dbraw/zinc/04/79/24/1033047924.db2.gz UKASZFFUAVUIJH-CCKFTAQKSA-N 1 0 366.421 2.831 20 5 FFBDRO C[NH+](C)[C@H]1Cc2ccccc2N(Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000158560907 1022537307 /nfs/dbraw/zinc/53/73/07/1022537307.db2.gz BPCIXEBMJKUKMV-KRWDZBQOSA-N 1 0 351.410 2.895 20 5 FFBDRO CC1(C)[C@@H]2[NH2+]CCC[C@H]2[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC001119306813 1022669337 /nfs/dbraw/zinc/66/93/37/1022669337.db2.gz HZZXWNCYVMIALE-XYPHTWIQSA-N 1 0 354.410 2.649 20 5 FFBDRO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000779098415 1022807247 /nfs/dbraw/zinc/80/72/47/1022807247.db2.gz BXQWSATUGHFQPB-AWEZNQCLSA-N 1 0 365.430 2.963 20 5 FFBDRO CC[NH+]1CCN(c2cc(N(C)C(=O)c3cc(C)co3)cc([N+](=O)[O-])c2)CC1 ZINC001119496058 1022815683 /nfs/dbraw/zinc/81/56/83/1022815683.db2.gz GLBQUYWEOBYQQS-UHFFFAOYSA-N 1 0 372.425 2.915 20 5 FFBDRO Cc1ccc(C[NH+]2CCC3(CCN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)CC2)c(C)c1 ZINC001040699908 1022954793 /nfs/dbraw/zinc/95/47/93/1022954793.db2.gz HLKJPBFKCFKKEZ-RTBURBONSA-N 1 0 371.481 2.783 20 5 FFBDRO [NH3+][C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC[C@H]1C(F)(F)F ZINC001122242658 1023139198 /nfs/dbraw/zinc/13/91/98/1023139198.db2.gz LOLKJDQKSWUXDQ-ZYHUDNBSSA-N 1 0 365.739 2.529 20 5 FFBDRO O=C1N(C[N@@H+]2CCC[C@H]([C@H]3CCOC3)C2)CCN1c1ccccc1[N+](=O)[O-] ZINC000752796901 1023205566 /nfs/dbraw/zinc/20/55/66/1023205566.db2.gz MSTLHQHSGDQVIK-HOTGVXAUSA-N 1 0 374.441 2.543 20 5 FFBDRO C[C@@H]1[NH2+]C[C@H]1Oc1nc2ccc(NC(=O)CN(C)C)cc2c2ccccc21 ZINC001218385186 1033130937 /nfs/dbraw/zinc/13/09/37/1033130937.db2.gz GTLZUGAQKBXSDC-ORAYPTAESA-N 1 0 364.449 2.627 20 5 FFBDRO COc1cc(O[C@H]2CC[C@@H](C)[NH2+]C2)c2c(c1)oc1c(O)ccc(O)c1c2=O ZINC001218399081 1033138271 /nfs/dbraw/zinc/13/82/71/1033138271.db2.gz NQJGJBMFGWZXDU-MNOVXSKESA-N 1 0 371.389 2.885 20 5 FFBDRO CCOc1cc(C[NH2+][C@H](C)C2CCN(C(=O)OC)CC2)ccc1[N+](=O)[O-] ZINC000755053577 1023559104 /nfs/dbraw/zinc/55/91/04/1023559104.db2.gz BHNLQCPXEGANCN-CYBMUJFWSA-N 1 0 365.430 2.950 20 5 FFBDRO C[C@H]1CC[C@H](Oc2cc(O)cc3oc4c(O)ccc(O)c4c(=O)c23)C[NH2+]1 ZINC001218408456 1033141287 /nfs/dbraw/zinc/14/12/87/1033141287.db2.gz QUZDWHNZMIWERS-ONGXEEELSA-N 1 0 357.362 2.582 20 5 FFBDRO C[C@@H]1CC[C@H](Oc2cc([N+](=O)[O-])ccc2I)C[NH2+]1 ZINC001218409243 1033144261 /nfs/dbraw/zinc/14/42/61/1033144261.db2.gz YIQNTSZZNUITGW-SCZZXKLOSA-N 1 0 362.167 2.719 20 5 FFBDRO CCn1cc([N+](=O)[O-])c(C(=O)O[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000755835392 1023642547 /nfs/dbraw/zinc/64/25/47/1023642547.db2.gz YQWGSEWGNRSYRX-HOCLYGCPSA-N 1 0 372.425 2.879 20 5 FFBDRO Cn1cc([N+](=O)[O-])c(C(=O)OC[C@]2(C)CCCC[N@@H+]2Cc2ccccc2)n1 ZINC000755908025 1023649235 /nfs/dbraw/zinc/64/92/35/1023649235.db2.gz FYGISANWOUFCNG-IBGZPJMESA-N 1 0 372.425 2.930 20 5 FFBDRO O=[N+]([O-])c1cc(O[C@@H]2CC[C@@H]3C[NH2+]C[C@H]23)ccc1I ZINC001218461824 1033166440 /nfs/dbraw/zinc/16/64/40/1033166440.db2.gz UKBQICSVMVSAGY-DFAYQTQMSA-N 1 0 374.178 2.576 20 5 FFBDRO COc1cccc(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000193810884 1024689405 /nfs/dbraw/zinc/68/94/05/1024689405.db2.gz ZIBCGBOGQLCKGQ-MRXNPFEDSA-N 1 0 369.421 2.855 20 5 FFBDRO CC(C)CCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001101540885 1024883948 /nfs/dbraw/zinc/88/39/48/1024883948.db2.gz ZEUIKESBHAPZHW-IAGOWNOFSA-N 1 0 353.507 2.942 20 5 FFBDRO COc1c[nH+]ccc1N1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1 ZINC000795284802 1025448395 /nfs/dbraw/zinc/44/83/95/1025448395.db2.gz PAXWBVCPOZLEEZ-UHFFFAOYSA-N 1 0 371.422 2.935 20 5 FFBDRO CC[NH+]1CCN(CC(C)(C)NC(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000837136068 1025605002 /nfs/dbraw/zinc/60/50/02/1025605002.db2.gz XCRNKTWAOMBTBF-JQIJEIRASA-N 1 0 374.485 2.530 20 5 FFBDRO C[NH+](C)Cc1cccc(CNC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)c1 ZINC001141395716 1026155243 /nfs/dbraw/zinc/15/52/43/1026155243.db2.gz ODVINISQVDTDTQ-UHFFFAOYSA-N 1 0 362.817 2.822 20 5 FFBDRO CC(C)c1noc(COC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)n1 ZINC000838100710 1026208834 /nfs/dbraw/zinc/20/88/34/1026208834.db2.gz FXWRQERNRLMMBB-UHFFFAOYSA-N 1 0 357.326 2.644 20 5 FFBDRO COC(=O)[C@@H]1C[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1c1ccccc1 ZINC000839101361 1026591082 /nfs/dbraw/zinc/59/10/82/1026591082.db2.gz WZJYWPXXVDUSKW-GUDVDZBRSA-N 1 0 370.405 2.517 20 5 FFBDRO O=C(CC[N@@H+]1C[C@@H](O)C[C@@H]1c1ccccc1)Nc1cc([N+](=O)[O-])ccc1F ZINC000839635008 1026768454 /nfs/dbraw/zinc/76/84/54/1026768454.db2.gz FMAWLLVNTAXMMV-MAUKXSAKSA-N 1 0 373.384 2.870 20 5 FFBDRO CC1(C)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000839781733 1026824781 /nfs/dbraw/zinc/82/47/81/1026824781.db2.gz ZFPCKVGIPJZGJJ-GUDVDZBRSA-N 1 0 371.481 2.801 20 5 FFBDRO C[N@H+](C1CN(c2nc3ccccc3c(Cl)c2[N+](=O)[O-])C1)[C@H]1CCOC1 ZINC001158731477 1027116117 /nfs/dbraw/zinc/11/61/17/1027116117.db2.gz OWIZGRJVBPHOET-NSHDSACASA-N 1 0 362.817 2.706 20 5 FFBDRO O=[N+]([O-])c1cc(-c2ccc(N3CCC4(C[NH2+]C4)CC3)nn2)ccc1Cl ZINC001159050250 1027246538 /nfs/dbraw/zinc/24/65/38/1027246538.db2.gz YDDSVEIYJWXXKJ-UHFFFAOYSA-N 1 0 359.817 2.895 20 5 FFBDRO Nc1cc2nc3ccccc3nc2cc1Nc1ccc(N2CC[NH2+]CC2)nc1 ZINC001159523498 1027419781 /nfs/dbraw/zinc/41/97/81/1027419781.db2.gz OUBMTDCPBPCGIA-UHFFFAOYSA-N 1 0 371.448 2.913 20 5 FFBDRO [NH3+][C@H]1CCc2c3ccccc3n(-c3c(Cl)[n+]([O-])ccc3[N+](=O)[O-])c2C1 ZINC001159948967 1027543104 /nfs/dbraw/zinc/54/31/04/1027543104.db2.gz MEDWOWOWEMBDMN-JTQLQIEISA-N 1 0 358.785 2.642 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])cnc1Nc1ccc(C[NH3+])cc1C(F)(F)F ZINC001160417570 1027698572 /nfs/dbraw/zinc/69/85/72/1027698572.db2.gz HMWVRRPEACGJOH-UHFFFAOYSA-N 1 0 370.287 2.998 20 5 FFBDRO O=[N+]([O-])c1c(Cl)nc(Cl)nc1N[C@H]1CC[NH2+]C[C@@H]1C(F)(F)F ZINC001160736781 1027845293 /nfs/dbraw/zinc/84/52/93/1027845293.db2.gz NBLGZAIRZKXCPG-WHFBIAKZSA-N 1 0 360.123 2.644 20 5 FFBDRO COc1cc(C)nc(NCC2CC[NH+](C3CCOCC3)CC2)c1[N+](=O)[O-] ZINC001161236505 1028087177 /nfs/dbraw/zinc/08/71/77/1028087177.db2.gz PKVWUNPZCHRZHY-UHFFFAOYSA-N 1 0 364.446 2.610 20 5 FFBDRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)Nc1nccc2cc([N+](=O)[O-])ccc21 ZINC001161549974 1028224074 /nfs/dbraw/zinc/22/40/74/1028224074.db2.gz GYFJNGMIEAMKQQ-KRWDZBQOSA-N 1 0 372.425 2.875 20 5 FFBDRO CC(C)Oc1ccc2c(c1)oc1ccc(C(=O)N[C@H]3CC[NH2+]C3)cc1c2=O ZINC001154574735 1028361394 /nfs/dbraw/zinc/36/13/94/1028361394.db2.gz QYJVEAHHNJALSP-AWEZNQCLSA-N 1 0 366.417 2.825 20 5 FFBDRO COc1nc(N(Cc2ccncc2)[C@H]2CC[C@H]([NH3+])CC2)ccc1[N+](=O)[O-] ZINC001162195408 1028466274 /nfs/dbraw/zinc/46/62/74/1028466274.db2.gz ZXDMIAKLUAAXMA-SHTZXODSSA-N 1 0 357.414 2.670 20 5 FFBDRO C[NH+](C)C[C@@H]1COCCN1c1nc2ccccc2c(Cl)c1[N+](=O)[O-] ZINC001154968717 1028531624 /nfs/dbraw/zinc/53/16/24/1028531624.db2.gz PMPOIOIJTHWSRU-LLVKDONJSA-N 1 0 350.806 2.563 20 5 FFBDRO CCOC1(OCC)CC[NH2+]C[C@@H]1Nc1ccc2ncccc2c1[N+](=O)[O-] ZINC001162732080 1028637120 /nfs/dbraw/zinc/63/71/20/1028637120.db2.gz CNVIDZDHIFPTHS-INIZCTEOSA-N 1 0 360.414 2.686 20 5 FFBDRO COc1cc2ncnc(N3C[C@@H]([NH3+])Cc4ccccc43)c2cc1[N+](=O)[O-] ZINC001155298364 1028663633 /nfs/dbraw/zinc/66/36/33/1028663633.db2.gz DCZFKMAGNABKQA-LBPRGKRZSA-N 1 0 351.366 2.568 20 5 FFBDRO O=[N+]([O-])c1cc(NCC[C@H]2CCOC23C[NH2+]C3)ccc1OC(F)(F)F ZINC001163089384 1028791914 /nfs/dbraw/zinc/79/19/14/1028791914.db2.gz KLOHVIPUEMMSBZ-JTQLQIEISA-N 1 0 361.320 2.674 20 5 FFBDRO O=[N+]([O-])c1cc(F)cc(Br)c1NCc1noc2c1C[NH2+]CC2 ZINC001163131864 1028818116 /nfs/dbraw/zinc/81/81/16/1028818116.db2.gz NIZKMVSTMIQMPF-UHFFFAOYSA-N 1 0 371.166 2.742 20 5 FFBDRO O=[N+]([O-])c1cc(N[C@H]2CCO[C@@]3(CC[NH2+]C3)C2)c2ncnc(Cl)c2c1 ZINC001155635316 1028828862 /nfs/dbraw/zinc/82/88/62/1028828862.db2.gz IOXHFUJLPCJLLQ-QFYYESIMSA-N 1 0 363.805 2.514 20 5 FFBDRO CN(C)CC[N@H+](C)CCCN(C)c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC001163437660 1028927935 /nfs/dbraw/zinc/92/79/35/1028927935.db2.gz STRNQGIPMCXGNF-UHFFFAOYSA-N 1 0 362.396 2.933 20 5 FFBDRO CC[N@@H+]1CCCN(c2nc(C(F)(F)F)nc(Cl)c2[N+](=O)[O-])CC1 ZINC001163776355 1029058852 /nfs/dbraw/zinc/05/88/52/1029058852.db2.gz VIZDCUXCQXYQLB-UHFFFAOYSA-N 1 0 353.732 2.589 20 5 FFBDRO O=[N+]([O-])c1cc(N2CCC(COCC[NH+]3CCCC3)CC2)nc2[nH]ccc21 ZINC001163881523 1029101527 /nfs/dbraw/zinc/10/15/27/1029101527.db2.gz JVUQDLGSXMTODO-UHFFFAOYSA-N 1 0 373.457 2.800 20 5 FFBDRO C[N@@H+]1CCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C[C@H]1C(C)(C)C ZINC001163930819 1029120752 /nfs/dbraw/zinc/12/07/52/1029120752.db2.gz WYCJPTMTXFZVCY-KRWDZBQOSA-N 1 0 371.441 2.787 20 5 FFBDRO O=[N+]([O-])c1cc[n+]([O-])c(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)c1 ZINC001156315424 1029141714 /nfs/dbraw/zinc/14/17/14/1029141714.db2.gz NXTNGQSYPIWZKE-KBAYOESNSA-N 1 0 354.410 2.551 20 5 FFBDRO C[C@H]1CC[C@@H](C[NH3+])N(c2nc(C(F)(F)F)nc(Cl)c2[N+](=O)[O-])C1 ZINC001164073313 1029164167 /nfs/dbraw/zinc/16/41/67/1029164167.db2.gz JQMNHPOFVCRVMD-BQBZGAKWSA-N 1 0 353.732 2.621 20 5 FFBDRO Cc1nc(N2CCC[C@@H]([NH2+]COCC[Si](C)(C)C)C2)ncc1[N+](=O)[O-] ZINC001156472191 1029205571 /nfs/dbraw/zinc/20/55/71/1029205571.db2.gz HSPJWYKURNXOFJ-CQSZACIVSA-N 1 0 367.526 2.564 20 5 FFBDRO O=[N+]([O-])c1ccc2[nH]c(N3CC[NH2+][C@H](Cc4ccc(F)cc4)C3)nc2c1 ZINC001164412906 1029277679 /nfs/dbraw/zinc/27/76/79/1029277679.db2.gz QRUYROIUALSPJL-CQSZACIVSA-N 1 0 355.373 2.631 20 5 FFBDRO O=C(NCCC1(C[NH2+]CCCCc2ccccc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001164494920 1029298081 /nfs/dbraw/zinc/29/80/81/1029298081.db2.gz YJUSWRRXCJRUPM-QZTJIDSGSA-N 1 0 359.470 2.551 20 5 FFBDRO COc1nc(N2C[C@H]3CC[N@H+](Cc4ccccc4)[C@H]3C2)ccc1[N+](=O)[O-] ZINC001165090377 1029379660 /nfs/dbraw/zinc/37/96/60/1029379660.db2.gz YTJKYOBRZMZPII-WBVHZDCISA-N 1 0 354.410 2.709 20 5 FFBDRO CC[N@H+]([C@@H]1CCOC1)C1CCN(c2cc([N+](=O)[O-])cc(Cl)n2)CC1 ZINC001165109345 1029396352 /nfs/dbraw/zinc/39/63/52/1029396352.db2.gz UIGUVDBWKGLHQT-CYBMUJFWSA-N 1 0 354.838 2.723 20 5 FFBDRO C[NH+]1C[C@@H]2CN(c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)nn3)C[C@H]2C1 ZINC001165146525 1029420146 /nfs/dbraw/zinc/42/01/46/1029420146.db2.gz AQMUMTQJSXTVBL-CHWSQXEVSA-N 1 0 359.817 2.703 20 5 FFBDRO CN(c1nc(C(F)(F)F)nc(Cl)c1[N+](=O)[O-])[C@@]1(C)CCC[NH2+]C1 ZINC001156976303 1029428293 /nfs/dbraw/zinc/42/82/93/1029428293.db2.gz CYJUZJIDTUOQQZ-NSHDSACASA-N 1 0 353.732 2.635 20 5 FFBDRO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CC[N@H+](C(C)C)[C@H](C)C1 ZINC001165198701 1029442897 /nfs/dbraw/zinc/44/28/97/1029442897.db2.gz ARDKHXGTCSUEBV-LLVKDONJSA-N 1 0 370.837 2.739 20 5 FFBDRO O=[N+]([O-])c1cccc(N(c2nccc(C(F)(F)F)n2)C2CC[NH2+]CC2)n1 ZINC001157530714 1029610044 /nfs/dbraw/zinc/61/00/44/1029610044.db2.gz BNVGBIXEFOEXAN-UHFFFAOYSA-N 1 0 368.319 2.689 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2noc([C@@]3(O)CC[N@H+](Cc4ccccc4)C3)n2)c1 ZINC000782222796 1029616075 /nfs/dbraw/zinc/61/60/75/1029616075.db2.gz FSTBXWYPIVMHPW-LJQANCHMSA-N 1 0 366.377 2.738 20 5 FFBDRO Cc1c[nH+]ccc1N1CCN(c2cnc3ccc([N+](=O)[O-])cc3n2)CC1 ZINC001158105015 1029733969 /nfs/dbraw/zinc/73/39/69/1029733969.db2.gz RXUJUTCMFCWBDO-UHFFFAOYSA-N 1 0 350.382 2.568 20 5 FFBDRO Cc1cc(N(c2ncc([N+](=O)[O-])cc2Cl)C2CC[NH2+]CC2)nc(C)n1 ZINC001158388353 1029817763 /nfs/dbraw/zinc/81/77/63/1029817763.db2.gz PGYVACOGXHNJJW-UHFFFAOYSA-N 1 0 362.821 2.940 20 5 FFBDRO C[NH+]1CCC(N(Cc2ccc(F)cc2)c2cc(N)c([N+](=O)[O-])cn2)CC1 ZINC001158449073 1029831847 /nfs/dbraw/zinc/83/18/47/1029831847.db2.gz OZXNRQZSSYVTKY-UHFFFAOYSA-N 1 0 359.405 2.812 20 5 FFBDRO COc1nc(C)c([N+](=O)[O-])c(N2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC001165202759 1029888208 /nfs/dbraw/zinc/88/82/08/1029888208.db2.gz OEJRAQUOLMZUNB-KGLIPLIRSA-N 1 0 371.441 2.801 20 5 FFBDRO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CCC2(CC([NH3+])C2)CC1 ZINC001165242819 1029912446 /nfs/dbraw/zinc/91/24/46/1029912446.db2.gz FFLCGDYHPJGBJH-UHFFFAOYSA-N 1 0 368.821 2.528 20 5 FFBDRO Cc1ccc(-c2ccc(N3C[C@H](CF)[C@H](C4([NH3+])CC4)C3)nn2)cc1[N+](=O)[O-] ZINC001165430763 1029977279 /nfs/dbraw/zinc/97/72/79/1029977279.db2.gz CBFOOHVGQYJPBT-LSDHHAIUSA-N 1 0 371.416 2.873 20 5 FFBDRO COC(=O)c1cc(NCC2C[NH+](Cc3ccccc3)C2)cc([N+](=O)[O-])c1 ZINC001165469990 1029993120 /nfs/dbraw/zinc/99/31/20/1029993120.db2.gz WRXJDKFWBYSXJZ-UHFFFAOYSA-N 1 0 355.394 2.925 20 5 FFBDRO COc1ccc(C[N@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])cc1F ZINC000783910621 1030333696 /nfs/dbraw/zinc/33/36/96/1030333696.db2.gz IKPJYKMKZMMLLC-AWEZNQCLSA-N 1 0 364.373 2.614 20 5 FFBDRO CCC[NH2+][C@H]1CCc2c(sc(=N)n2-c2cc(Cl)cc([N+](=O)[O-])n2)C1 ZINC001166875593 1030559565 /nfs/dbraw/zinc/55/95/65/1030559565.db2.gz VQFZGFRQGSLALF-JTQLQIEISA-N 1 0 367.862 2.832 20 5 FFBDRO C[N@H+](Cn1ncc2ccc([N+](=O)[O-])cc21)C[C@]1(O)CCc2ccccc21 ZINC000842626629 1030849119 /nfs/dbraw/zinc/84/91/19/1030849119.db2.gz WIVMVUGNXIVZAU-LJQANCHMSA-N 1 0 352.394 2.668 20 5 FFBDRO COC(=O)[C@]1(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCOC1 ZINC001204102378 1031102093 /nfs/dbraw/zinc/10/20/93/1031102093.db2.gz BIWVVJFJQVHNRH-SFHVURJKSA-N 1 0 360.366 2.524 20 5 FFBDRO COc1c(O)ccc(CN2CC[NH+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC001204144768 1031128749 /nfs/dbraw/zinc/12/87/49/1031128749.db2.gz JHFOWRMTVSVZLP-UHFFFAOYSA-N 1 0 357.410 2.627 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@]2(CO)C[C@H]2c2ccc(F)cc2)c1 ZINC000843110880 1031188455 /nfs/dbraw/zinc/18/84/55/1031188455.db2.gz OWDDMMQIYDIROG-OTWHNJEPSA-N 1 0 360.385 2.523 20 5 FFBDRO COc1cc(Cc2noc(C[C@@H](C)[C@@H]3CCC[NH2+]C3)n2)ccc1[N+](=O)[O-] ZINC000843191730 1031234676 /nfs/dbraw/zinc/23/46/76/1031234676.db2.gz LFBUJORBGIFNJI-TZMCWYRMSA-N 1 0 360.414 2.755 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCNc1ccc(OCC[NH3+])cc1 ZINC000843367780 1031361233 /nfs/dbraw/zinc/36/12/33/1031361233.db2.gz SZUJBIXSFHHDGX-UHFFFAOYSA-N 1 0 358.398 2.681 20 5 FFBDRO COc1cc(C[N@H+](C)C[C@@]2(O)CCc3ccccc32)c([N+](=O)[O-])cc1OC ZINC000843422465 1031397572 /nfs/dbraw/zinc/39/75/72/1031397572.db2.gz VPYKKIIYCDUVQD-FQEVSTJZSA-N 1 0 372.421 2.878 20 5 FFBDRO CC[NH+]1CCN(c2cc(N(C)C(=O)[C@H]3C[C@H]3C(C)C)cc([N+](=O)[O-])c2)CC1 ZINC001535174618 1069738436 /nfs/dbraw/zinc/73/84/36/1069738436.db2.gz OBBQNTOQBPOQQY-OALUTQOASA-N 1 0 374.485 2.992 20 5 FFBDRO C[C@]1(Br)C[C@H]1C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001205114507 1031533950 /nfs/dbraw/zinc/53/39/50/1031533950.db2.gz HWAUNOVHGROJCF-WFASDCNBSA-N 1 0 354.248 2.890 20 5 FFBDRO CC(C)[C@H](C(=O)O[C@H]1CCCN(c2ccc(F)cc2[N+](=O)[O-])C1)[NH+](C)C ZINC000798859164 1031567594 /nfs/dbraw/zinc/56/75/94/1031567594.db2.gz CCSLNHOOUJUADE-WMLDXEAASA-N 1 0 367.421 2.832 20 5 FFBDRO Cc1nn(C[N@H+]2CCC[C@@H]2[C@@H]2C[C@H](C)CC[C@@H]2O)c2ncc([N+](=O)[O-])cc12 ZINC000799153843 1031669455 /nfs/dbraw/zinc/66/94/55/1031669455.db2.gz AXONWFPFLWTVEB-IUHNQTRMSA-N 1 0 373.457 2.867 20 5 FFBDRO CC(C)(C)[N@@H+]1CCN[C@H](C(=O)Nc2cc3cccnc3c3ncccc23)C1 ZINC001218979910 1033441571 /nfs/dbraw/zinc/44/15/71/1033441571.db2.gz KZYABPZRYVMGQZ-KRWDZBQOSA-N 1 0 363.465 2.794 20 5 FFBDRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000830729543 1033767616 /nfs/dbraw/zinc/76/76/16/1033767616.db2.gz WMJLXYSLANKICA-MDASCCDHSA-N 1 0 371.437 2.744 20 5 FFBDRO Cc1c(C[N@@H+]2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000831563769 1034127684 /nfs/dbraw/zinc/12/76/84/1034127684.db2.gz POSWZBWKXZNVDG-UONOGXRCSA-N 1 0 371.359 2.746 20 5 FFBDRO CC(C)[C@@H](CO)[C@@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C(C)C ZINC000831663841 1034187802 /nfs/dbraw/zinc/18/78/02/1034187802.db2.gz KKQBXMKIVWQMMV-KDOFPFPSSA-N 1 0 369.437 2.941 20 5 FFBDRO COc1cc(OC[C@H]2CN(Cc3ccccc3)CCO2)ccc1[N+](=O)[O-] ZINC001225434976 1034251960 /nfs/dbraw/zinc/25/19/60/1034251960.db2.gz BKUJFJCWEUUZKD-QGZVFWFLSA-N 1 0 358.394 2.883 20 5 FFBDRO COC(=O)c1cc(Br)cc([N+](=O)[O-])c1OC1CC[NH+](C)CC1 ZINC001226358168 1034649881 /nfs/dbraw/zinc/64/98/81/1034649881.db2.gz CJJZYVRSPDRYCV-UHFFFAOYSA-N 1 0 373.203 2.617 20 5 FFBDRO COC(=O)c1cc(Br)cc(OC)c1O[C@@H](C)C[N+](C)(C)C ZINC001226841314 1034860036 /nfs/dbraw/zinc/86/00/36/1034860036.db2.gz OAMREUHQGNNRSR-JTQLQIEISA-N 1 0 361.256 2.718 20 5 FFBDRO O=[N+]([O-])c1cnc(OC2CC[NH+](CCc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC001227111984 1034938377 /nfs/dbraw/zinc/93/83/77/1034938377.db2.gz VEHOELRMLFDRJK-UHFFFAOYSA-N 1 0 372.381 2.984 20 5 FFBDRO C[NH+]1CCC(Oc2ccccc2C(=O)Nc2ncc([N+](=O)[O-])s2)CC1 ZINC001227516138 1035593349 /nfs/dbraw/zinc/59/33/49/1035593349.db2.gz UKPXZSLVBFRZHO-UHFFFAOYSA-N 1 0 362.411 2.777 20 5 FFBDRO C[N@@H+]1CCc2cc(O[C@H]3CCN(c4ccc([N+](=O)[O-])cn4)C3)ccc2C1 ZINC001228943396 1036421761 /nfs/dbraw/zinc/42/17/61/1036421761.db2.gz HBQPVURFQFRQPR-SFHVURJKSA-N 1 0 354.410 2.635 20 5 FFBDRO CC(=O)O[C@H]1C[C@@H]2C[C@H](Oc3c(C)cc(F)cc3[N+](=O)[O-])C[C@H]1[N@@H+]2C ZINC001229200093 1036548833 /nfs/dbraw/zinc/54/88/33/1036548833.db2.gz CUVJDIIHPGWXFK-AYDFFVQHSA-N 1 0 352.362 2.588 20 5 FFBDRO C[C@H](C[NH+](C)C)Oc1cc([N+](=O)[O-])ccc1I ZINC001229835720 1036924659 /nfs/dbraw/zinc/92/46/59/1036924659.db2.gz LVZRVWALIORMIU-MRVPVSSYSA-N 1 0 350.156 2.528 20 5 FFBDRO COc1c(O)cc(O[C@@H](C)C[N+](C)(C)C)c2c(=O)c3ccccc3n(C)c12 ZINC001234175625 1036956972 /nfs/dbraw/zinc/95/69/72/1036956972.db2.gz KCBPKSKBIKINEN-ZDUSSCGKSA-O 1 0 371.457 2.879 20 5 FFBDRO C[C@@H]1C[N@H+](C)[C@H](C)[C@H](C)N1C(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001277849082 1036997560 /nfs/dbraw/zinc/99/75/60/1036997560.db2.gz INLZDARVKDPYQY-UPJWGTAASA-N 1 0 356.426 2.883 20 5 FFBDRO CCOC(=O)Cc1ccc([N+](=O)[O-])c(OC2CCN(CCF)CC2)c1 ZINC001234409504 1037024699 /nfs/dbraw/zinc/02/46/99/1037024699.db2.gz BGXJMAOLFHVNFX-UHFFFAOYSA-N 1 0 354.378 2.513 20 5 FFBDRO CC(=O)Nc1ccc([N+](=O)[O-])cc1OC1CCN(c2cc[nH+]cc2)CC1 ZINC001230246090 1037174918 /nfs/dbraw/zinc/17/49/18/1037174918.db2.gz IEKFTORGHCRMOS-UHFFFAOYSA-N 1 0 356.382 2.996 20 5 FFBDRO C[NH+]1CCC2(CC[C@H](COc3c([N+](=O)[O-])cccc3[N+](=O)[O-])O2)CC1 ZINC001230313102 1037216109 /nfs/dbraw/zinc/21/61/09/1037216109.db2.gz UZRNBSHNWYNAKF-GFCCVEGCSA-N 1 0 351.359 2.525 20 5 FFBDRO COc1cc(N2CCC([NH2+][C@H]3CCN(CC4CC4)C3)CC2)ccc1[N+](=O)[O-] ZINC001256088031 1038372408 /nfs/dbraw/zinc/37/24/08/1038372408.db2.gz ASDBBZUQIQZVCO-KRWDZBQOSA-N 1 0 374.485 2.646 20 5 FFBDRO COc1cc(N2CCC(n3ccnc3CCC[NH3+])CC2)ccc1[N+](=O)[O-] ZINC001256094195 1038379854 /nfs/dbraw/zinc/37/98/54/1038379854.db2.gz HLPSXENNABZMOB-UHFFFAOYSA-N 1 0 359.430 2.533 20 5 FFBDRO Cc1cc(C)c(S(=O)(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)cc1[N+](=O)[O-] ZINC001209567401 1038999378 /nfs/dbraw/zinc/99/93/78/1038999378.db2.gz MLUDJPHWFUEUBX-MRXNPFEDSA-N 1 0 371.503 2.856 20 5 FFBDRO C[C@@H]1C[N@@H+](CCc2nnc(-c3cc4cc([N+](=O)[O-])ccc4[nH]3)o2)C[C@H](C)O1 ZINC001258021530 1039120037 /nfs/dbraw/zinc/12/00/37/1039120037.db2.gz YOJGISKWACRSMN-TXEJJXNPSA-N 1 0 371.397 2.778 20 5 FFBDRO Cc1ccc(-c2nnc(CC[NH+]3C[C@H](C)O[C@@H](C)C3)o2)c([N+](=O)[O-])c1C ZINC001258161604 1039241767 /nfs/dbraw/zinc/24/17/67/1039241767.db2.gz KDQDVNRGVRDQTG-STQMWFEESA-N 1 0 360.414 2.913 20 5 FFBDRO CC(C)[C@@H]1CN(C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)CC[NH2+]1 ZINC001246684052 1039437042 /nfs/dbraw/zinc/43/70/42/1039437042.db2.gz DFLHXHDJAXMUQG-KRWDZBQOSA-N 1 0 368.428 2.772 20 5 FFBDRO COc1cc(N2CCC(N3CC[NH2+][C@H](C(C)C)C3)CC2)ccc1[N+](=O)[O-] ZINC001246686394 1039439626 /nfs/dbraw/zinc/43/96/26/1039439626.db2.gz MJBGMTSNZYCUBD-KRWDZBQOSA-N 1 0 362.474 2.502 20 5 FFBDRO CC(=O)c1ccccc1-c1noc(C[C@H]([NH3+])Cc2ccc([N+](=O)[O-])cc2)n1 ZINC001248215363 1040177649 /nfs/dbraw/zinc/17/76/49/1040177649.db2.gz BRRGGEPGWFGJCV-CQSZACIVSA-N 1 0 366.377 2.960 20 5 FFBDRO Cc1ccc(C[NH3+])nc1N(C)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254464930 1040734164 /nfs/dbraw/zinc/73/41/64/1040734164.db2.gz PMIIHLOLXIKKCA-UHFFFAOYSA-N 1 0 355.442 2.862 20 5 FFBDRO [NH3+]Cc1ccc2c(n1)N(C1CCN(c3ccc([N+](=O)[O-])cc3)CC1)CCC2 ZINC001254468667 1040735882 /nfs/dbraw/zinc/73/58/82/1040735882.db2.gz PTALFFBLJDQAFW-UHFFFAOYSA-N 1 0 367.453 2.870 20 5 FFBDRO COC(=O)[C@@]1(C)CCC[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254479956 1040745439 /nfs/dbraw/zinc/74/54/39/1040745439.db2.gz RPMPTXODVJQXAR-IBGZPJMESA-N 1 0 361.442 2.839 20 5 FFBDRO COC[C@@H](C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC001254539885 1040789582 /nfs/dbraw/zinc/78/95/82/1040789582.db2.gz LHODKGHFYDGGFF-UKRRQHHQSA-N 1 0 367.446 2.655 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cn(Cc2ccccn2)cn1 ZINC001254544142 1040791339 /nfs/dbraw/zinc/79/13/39/1040791339.db2.gz HUPUUTSIHWGDEU-HNNXBMFYSA-N 1 0 351.410 2.955 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1C[C@H]2CN(C(=O)c3ccco3)C[C@H]2C1 ZINC001254555573 1040795230 /nfs/dbraw/zinc/79/52/30/1040795230.db2.gz HQWUWMNBOACOIZ-OIISXLGYSA-N 1 0 369.421 2.823 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1C[C@H]2CN(Cc3cccnc3)C[C@H]2C1 ZINC001254561857 1040800734 /nfs/dbraw/zinc/80/07/34/1040800734.db2.gz MXXGTEIHYXXHGI-AHRSYUTCSA-N 1 0 366.465 2.985 20 5 FFBDRO COC(=O)C[C@H]([NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1cccc(OC)c1 ZINC001254587638 1040818840 /nfs/dbraw/zinc/81/88/40/1040818840.db2.gz RSZPMBZRCLDZAQ-LPHOPBHVSA-N 1 0 370.405 2.965 20 5 FFBDRO COc1ccc2c(c1)C[C@H](C[NH2+][C@H]1Cc3ccc([N+](=O)[O-])cc3C1)CO2 ZINC001254588268 1040820805 /nfs/dbraw/zinc/82/08/05/1040820805.db2.gz XKBVDFGQVHXDJC-DYVFJYSZSA-N 1 0 354.406 2.912 20 5 FFBDRO CC(C)[N@@H+]1CCOC[C@]2(CCCN([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)C1 ZINC001254592713 1040823243 /nfs/dbraw/zinc/82/32/43/1040823243.db2.gz GAANOPWFXBAFGJ-LEWJYISDSA-N 1 0 373.497 2.885 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H](n1nc(C(F)(F)F)c3c1CC[NH2+]C3)C2 ZINC001254608080 1040836496 /nfs/dbraw/zinc/83/64/96/1040836496.db2.gz OZTJSENNNHEZLM-GFCCVEGCSA-N 1 0 352.316 2.796 20 5 FFBDRO CCN(CC)C(=O)NC1CC[NH+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254611409 1040838497 /nfs/dbraw/zinc/83/84/97/1040838497.db2.gz QEUYQLGCWKYMBZ-SFHVURJKSA-N 1 0 360.458 2.578 20 5 FFBDRO CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@@H]21 ZINC001254610638 1040838888 /nfs/dbraw/zinc/83/88/88/1040838888.db2.gz LWUUXAVMBHRENC-UAGQMJEPSA-N 1 0 359.426 2.613 20 5 FFBDRO CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@H]21 ZINC001254610639 1040839297 /nfs/dbraw/zinc/83/92/97/1040839297.db2.gz LWUUXAVMBHRENC-USXIJHARSA-N 1 0 359.426 2.613 20 5 FFBDRO COc1ccnc(O[C@H]2CC[N@@H+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)c1 ZINC001254610260 1040839721 /nfs/dbraw/zinc/83/97/21/1040839721.db2.gz ISFVKYTZZQJOTJ-AEFFLSMTSA-N 1 0 355.394 2.619 20 5 FFBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC001262578571 1041734453 /nfs/dbraw/zinc/73/44/53/1041734453.db2.gz SVHOQYZYMASXEI-GDBMZVCRSA-N 1 0 352.822 2.580 20 5 FFBDRO O=[N+]([O-])c1ccc2nc(N3CCC([NH2+]C4CCOCC4)CC3)sc2c1 ZINC001262706338 1041805469 /nfs/dbraw/zinc/80/54/69/1041805469.db2.gz KYONXRAHQMGBIH-UHFFFAOYSA-N 1 0 362.455 2.942 20 5 FFBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)C[C@@H]3CC[C@H]4C[C@H]43)c2)CC1 ZINC001262812046 1041872278 /nfs/dbraw/zinc/87/22/78/1041872278.db2.gz JECAZAFYKNMOFU-OFQRWUPVSA-N 1 0 358.442 2.721 20 5 FFBDRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3csc([N+](=O)[O-])c3)n2C)C1 ZINC001262850201 1041900362 /nfs/dbraw/zinc/90/03/62/1041900362.db2.gz NCEKWBIGCMPRRF-LBPRGKRZSA-N 1 0 364.475 2.620 20 5 FFBDRO C[C@@H]1[C@H](C)[NH2+]C[C@H](C)N1C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001263202344 1042168904 /nfs/dbraw/zinc/16/89/04/1042168904.db2.gz XKZKIJABCFUIPT-SDDRHHMPSA-N 1 0 360.439 2.929 20 5 FFBDRO CC1(C)C[NH2+]C[C@@H]1NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC001263240759 1042194089 /nfs/dbraw/zinc/19/40/89/1042194089.db2.gz UREAWMZNRVCNFF-INIZCTEOSA-N 1 0 371.387 2.687 20 5 FFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC001263253541 1042200460 /nfs/dbraw/zinc/20/04/60/1042200460.db2.gz QEZDJFUNSDHUFY-PXNSSMCTSA-N 1 0 367.405 2.509 20 5 FFBDRO C[C@@H]1CC[N@H+](CCNC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC001310159644 1043646016 /nfs/dbraw/zinc/64/60/16/1043646016.db2.gz KDEMUQZDUWNOPK-SNVBAGLBSA-N 1 0 358.345 2.660 20 5 FFBDRO CCC1([NH2+]Cc2cc(C)sc2C)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001281004237 1044792068 /nfs/dbraw/zinc/79/20/68/1044792068.db2.gz KZGWVNZTZUIQQY-HZPDHXFCSA-N 1 0 365.499 2.891 20 5 FFBDRO CCC1([NH2+]Cc2sccc2Cl)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001281004880 1044793542 /nfs/dbraw/zinc/79/35/42/1044793542.db2.gz YLRQSNFVZCGWLA-DGCLKSJQSA-N 1 0 371.890 2.928 20 5 FFBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC001318922807 1044940759 /nfs/dbraw/zinc/94/07/59/1044940759.db2.gz CPXWHDHZXQDVPB-UHFFFAOYSA-N 1 0 360.389 2.637 20 5 FFBDRO Cc1cc(C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c(C)s1 ZINC001282294803 1045482983 /nfs/dbraw/zinc/48/29/83/1045482983.db2.gz GYJVCMJSECDNTM-HUUCEWRRSA-N 1 0 353.488 2.604 20 5 FFBDRO O=C(NC1(C[NH2+]Cc2ccc(Cl)cc2)CCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001282607202 1045954066 /nfs/dbraw/zinc/95/40/66/1045954066.db2.gz LAMLDZXYSGOITA-HZPDHXFCSA-N 1 0 365.861 2.914 20 5 FFBDRO O=C(NC1(C[NH2+]C/C=C/c2ccccc2)CCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001282606940 1045954272 /nfs/dbraw/zinc/95/42/72/1045954272.db2.gz GWEXXPWSMHAPJS-CVRCPQJVSA-N 1 0 357.454 2.774 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCC[N@H+](CC)C1 ZINC001325142178 1046389715 /nfs/dbraw/zinc/38/97/15/1046389715.db2.gz BDWQRNPTOVYUBF-CYBMUJFWSA-N 1 0 350.419 2.847 20 5 FFBDRO C[NH2+][C@@H](C)CCNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC001326077422 1046756054 /nfs/dbraw/zinc/75/60/54/1046756054.db2.gz YJUOXEONNSUVDM-JTQLQIEISA-N 1 0 359.376 2.687 20 5 FFBDRO CC[NH+](CC)C1CCN(S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])CC1 ZINC001326256244 1046835844 /nfs/dbraw/zinc/83/58/44/1046835844.db2.gz PNSIZVFHQDIMPU-UHFFFAOYSA-N 1 0 369.487 2.707 20 5 FFBDRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001540540667 1070923435 /nfs/dbraw/zinc/92/34/35/1070923435.db2.gz KKWNKCXLLZANEU-UHFFFAOYSA-N 1 0 356.426 2.949 20 5 FFBDRO CCn1c(CC[NH3+])nnc1Sc1cccc(C(F)(F)F)c1[N+](=O)[O-] ZINC001331573826 1048015757 /nfs/dbraw/zinc/01/57/57/1048015757.db2.gz GCJNNCSWEOVOSF-UHFFFAOYSA-N 1 0 361.349 2.877 20 5 FFBDRO CCC(CC)(C[NH3+])C(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC001332068216 1048233838 /nfs/dbraw/zinc/23/38/38/1048233838.db2.gz IDZSLLPPSQOMTR-UHFFFAOYSA-N 1 0 358.236 2.739 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC001333391574 1048877435 /nfs/dbraw/zinc/87/74/35/1048877435.db2.gz OSIRJRUNMQPUFW-AWEZNQCLSA-N 1 0 371.441 2.970 20 5 FFBDRO C[N@H+](CCc1nccc(C(F)(F)F)n1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001333452552 1048910346 /nfs/dbraw/zinc/91/03/46/1048910346.db2.gz LEFLFABJOZXGBI-CYBMUJFWSA-N 1 0 370.331 2.612 20 5 FFBDRO C[C@H](CNC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)[NH+]1CCC(C)CC1 ZINC001292269202 1049228628 /nfs/dbraw/zinc/22/86/28/1049228628.db2.gz BMKGKSMCZJCBLW-CQSZACIVSA-N 1 0 371.441 2.835 20 5 FFBDRO C[NH+]1CCC2(CCN(C(=O)CCNc3ccccc3[N+](=O)[O-])CC2)CC1 ZINC001330633000 1049240960 /nfs/dbraw/zinc/24/09/60/1049240960.db2.gz YPJIMISQJAPIKT-UHFFFAOYSA-N 1 0 360.458 2.731 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@H]2CN(c3ccc([N+](=O)[O-])cc3N3CCOC3=O)C[C@H]2C1 ZINC001334337898 1049379125 /nfs/dbraw/zinc/37/91/25/1049379125.db2.gz VZKIONYTZVVLQV-RRFJBIMHSA-N 1 0 374.441 2.718 20 5 FFBDRO CCC1([NH3+])CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CC1 ZINC001330958043 1049411679 /nfs/dbraw/zinc/41/16/79/1049411679.db2.gz VWFADBOEFVHRGI-UHFFFAOYSA-N 1 0 360.458 2.929 20 5 FFBDRO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC001292879720 1049425381 /nfs/dbraw/zinc/42/53/81/1049425381.db2.gz CIYKVGCKPCIIBA-GDBMZVCRSA-N 1 0 372.425 2.511 20 5 FFBDRO Cn1c(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)ccc1[C@@H]1CCCC[NH2+]1 ZINC001339947385 1050362699 /nfs/dbraw/zinc/36/26/99/1050362699.db2.gz ODYWUIFYCBCBFJ-HNNXBMFYSA-N 1 0 354.410 2.951 20 5 FFBDRO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)N1CCC2(C1)CC[NH2+]CC2 ZINC001341748585 1050365810 /nfs/dbraw/zinc/36/58/10/1050365810.db2.gz QUACGWCQJPJAAD-UHFFFAOYSA-N 1 0 351.834 2.783 20 5 FFBDRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3cc(C)cc([N+](=O)[O-])c3)n2C)C1 ZINC001340007513 1050418871 /nfs/dbraw/zinc/41/88/71/1050418871.db2.gz RMTSUAQDZCSRPX-HNNXBMFYSA-N 1 0 372.473 2.867 20 5 FFBDRO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC001342318467 1050913456 /nfs/dbraw/zinc/91/34/56/1050913456.db2.gz LLMPQNIWZNCTDJ-BBRMVZONSA-N 1 0 351.834 2.781 20 5 FFBDRO C[N@@H+]1C[C@@]2(C)CN(C(=O)CCCNc3ccc([N+](=O)[O-])cc3)C[C@@]2(C)C1 ZINC001301717922 1050966119 /nfs/dbraw/zinc/96/61/19/1050966119.db2.gz PITTYBBKOFHLEF-KDURUIRLSA-N 1 0 360.458 2.587 20 5 FFBDRO CC(C)(C)[NH+]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC001340767465 1051120260 /nfs/dbraw/zinc/12/02/60/1051120260.db2.gz VZGYGMHXHKZQAC-UHFFFAOYSA-N 1 0 354.838 2.603 20 5 FFBDRO Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)COc3ccccc3[N+](=O)[O-])C2)cc1 ZINC001302725273 1051184616 /nfs/dbraw/zinc/18/46/16/1051184616.db2.gz RWIWFICDJPBEAV-QGZVFWFLSA-N 1 0 369.421 2.673 20 5 FFBDRO COc1cc(C(=O)N2C[C@@H](CC[NH3+])c3ccccc32)c([N+](=O)[O-])cc1OC ZINC001340901064 1051228380 /nfs/dbraw/zinc/22/83/80/1051228380.db2.gz QTXWURRJFUIBCZ-GFCCVEGCSA-N 1 0 371.393 2.705 20 5 FFBDRO CC(C)C[C@@H]([NH3+])CC(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC001340969862 1051302964 /nfs/dbraw/zinc/30/29/64/1051302964.db2.gz ZYVBLZAJSCTKNH-GFCCVEGCSA-N 1 0 358.236 2.737 20 5 FFBDRO CCN(C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC001342853484 1051461389 /nfs/dbraw/zinc/46/13/89/1051461389.db2.gz PWXHKZHYBWMMAA-UHFFFAOYSA-N 1 0 355.822 2.618 20 5 FFBDRO C[NH2+]CCOc1cccc(C(=O)NC[C@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC001341319154 1051673208 /nfs/dbraw/zinc/67/32/08/1051673208.db2.gz UPEKKHHSYHCBIM-AWEZNQCLSA-N 1 0 357.410 2.727 20 5 FFBDRO CC(C)[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC001305228135 1051839794 /nfs/dbraw/zinc/83/97/94/1051839794.db2.gz XMNDZOZUTTYPKP-LPHOPBHVSA-N 1 0 374.485 2.752 20 5 FFBDRO Cc1cc(NC(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)cc([N+](=O)[O-])c1 ZINC001344875710 1052091409 /nfs/dbraw/zinc/09/14/09/1052091409.db2.gz NSNHYOOJPFAYSW-INIZCTEOSA-N 1 0 362.430 2.622 20 5 FFBDRO CC(C)C[N@@H+]1CCO[C@@H](CNc2ccc([N+](=O)[O-])c(OC(C)C)n2)C1 ZINC001306919207 1052221220 /nfs/dbraw/zinc/22/12/20/1052221220.db2.gz ZONFNBSYEDQTAF-AWEZNQCLSA-N 1 0 352.435 2.546 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)C[C@@H]2C1 ZINC001345238087 1052336088 /nfs/dbraw/zinc/33/60/88/1052336088.db2.gz ZGQRJGYQJWLLOY-MELADBBJSA-N 1 0 356.426 2.878 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@@H]1CCC[NH2+]CC1 ZINC001343642179 1052351547 /nfs/dbraw/zinc/35/15/47/1052351547.db2.gz VVEMKUZDSPHENV-NWDGAFQWSA-N 1 0 355.822 2.521 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(C[N@H+]2CCC[C@H]2CCO)o1 ZINC001307824405 1052354537 /nfs/dbraw/zinc/35/45/37/1052354537.db2.gz YSFACWSPZCFXPB-NSHDSACASA-N 1 0 352.778 2.645 20 5 FFBDRO C[C@@H]1CCCC[C@]1(C)[NH2+]CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001307825501 1052354706 /nfs/dbraw/zinc/35/47/06/1052354706.db2.gz KZKCIHNWERIFFU-UZLBHIALSA-N 1 0 374.485 2.802 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)Cc1ccc2c(c1)OC(F)(F)O2 ZINC001307880951 1052361029 /nfs/dbraw/zinc/36/10/29/1052361029.db2.gz COVWNZGZLRWEKI-UHFFFAOYSA-N 1 0 354.313 2.553 20 5 FFBDRO C[C@H](O)[C@H]1CCC[N@@H+]1Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001307938735 1052369318 /nfs/dbraw/zinc/36/93/18/1052369318.db2.gz KYUDEKJPRBYPOQ-JOYOIKCWSA-N 1 0 352.778 2.643 20 5 FFBDRO C[C@](CO)([NH2+]C[C@@H](O)c1cc2ccccc2o1)c1cccc([N+](=O)[O-])c1 ZINC001308000657 1052381030 /nfs/dbraw/zinc/38/10/30/1052381030.db2.gz WXJVHCKTFPKFHR-VQIMIIECSA-N 1 0 356.378 2.872 20 5 FFBDRO O=C(CC[NH2+][C@@]1(c2ccccc2)C[C@@H](O)C1)Nc1ccccc1[N+](=O)[O-] ZINC001308057797 1052395658 /nfs/dbraw/zinc/39/56/58/1052395658.db2.gz AZZQHXXKGJWUNB-GLRZTSSQSA-N 1 0 355.394 2.563 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[N@H+](C2CCCC2)[C@H](C)C1 ZINC001308080245 1052401059 /nfs/dbraw/zinc/40/10/59/1052401059.db2.gz VNXYWYLCQVJJQW-OAHLLOKOSA-N 1 0 360.458 2.790 20 5 FFBDRO COc1ccc(NC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)c([N+](=O)[O-])c1 ZINC001345371080 1052408873 /nfs/dbraw/zinc/40/88/73/1052408873.db2.gz OEELMQUKCJJMEH-UHFFFAOYSA-N 1 0 350.419 2.942 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+][C@H](C)COc2ccccc2)cc1[N+](=O)[O-] ZINC001308229125 1052433951 /nfs/dbraw/zinc/43/39/51/1052433951.db2.gz SPBWWJRZYMZAIY-CQSZACIVSA-N 1 0 374.393 2.704 20 5 FFBDRO Cc1ccnc(-c2n[nH]c([C@@H](C)[NH2+]CCc3ccc([N+](=O)[O-])cc3)n2)c1 ZINC001308720616 1052490855 /nfs/dbraw/zinc/49/08/55/1052490855.db2.gz MXXUQZIMXOCHJU-CYBMUJFWSA-N 1 0 352.398 2.977 20 5 FFBDRO O=C(Cn1c2ccccc2c(=O)c2ccccc21)NC[C@H]1CCCCC[NH2+]1 ZINC001345537370 1052497535 /nfs/dbraw/zinc/49/75/35/1052497535.db2.gz UJLXUUWLGURNAO-MRXNPFEDSA-N 1 0 363.461 2.803 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC001345560104 1052509988 /nfs/dbraw/zinc/50/99/88/1052509988.db2.gz MJEHUHPOZHKTRE-OXJNMPFZSA-N 1 0 367.405 2.889 20 5 FFBDRO Cc1cc(C)c(S(=O)(=O)NC[C@H](C)[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC001309103472 1052556239 /nfs/dbraw/zinc/55/62/39/1052556239.db2.gz VCBXDYGWUFRENQ-HNNXBMFYSA-N 1 0 369.487 2.610 20 5 FFBDRO Cc1cc(S(=O)(=O)NCC[N@@H+]2CCCC(C)(C)C2)c(C)cc1[N+](=O)[O-] ZINC001309444210 1052619697 /nfs/dbraw/zinc/61/96/97/1052619697.db2.gz CANJJQNUHNJPOD-UHFFFAOYSA-N 1 0 369.487 2.612 20 5 FFBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC001345904590 1052664598 /nfs/dbraw/zinc/66/45/98/1052664598.db2.gz QNGGLXPJYDDURT-UHFFFAOYSA-N 1 0 358.442 2.520 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]Cc1cccc(N2CC=CC2)c1 ZINC001335316890 1053294567 /nfs/dbraw/zinc/29/45/67/1053294567.db2.gz FNQHLXXTTTZMGO-GOSISDBHSA-N 1 0 369.421 2.501 20 5 FFBDRO CC[NH+](CC)CCOCCNc1ncnc2c(Cl)cc([N+](=O)[O-])cc12 ZINC001347232259 1053742584 /nfs/dbraw/zinc/74/25/84/1053742584.db2.gz YEEJKQLYSYZYHP-UHFFFAOYSA-N 1 0 367.837 2.962 20 5 FFBDRO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)N(Cc3ccccc3[N+](=O)[O-])C3CC3)[C@H]2C1 ZINC001348312208 1054624993 /nfs/dbraw/zinc/62/49/93/1054624993.db2.gz VBRUWTNTGMZREC-RRQGHBQHSA-N 1 0 358.442 2.609 20 5 FFBDRO Cc1c(C(=O)Nc2ccnn2-c2ccc([N+](=O)[O-])cc2)ccc2c[nH+]cn21 ZINC001337624387 1054901730 /nfs/dbraw/zinc/90/17/30/1054901730.db2.gz GPQRGOSXHUCBQQ-UHFFFAOYSA-N 1 0 362.349 2.989 20 5 FFBDRO C[C@@H](Cc1ccco1)C(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001338335457 1055427658 /nfs/dbraw/zinc/42/76/58/1055427658.db2.gz JXCXZUBSJYXFHV-AWEZNQCLSA-N 1 0 372.425 2.757 20 5 FFBDRO O=[N+]([O-])c1ccc(C(F)(F)F)cc1N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC001338384693 1055466937 /nfs/dbraw/zinc/46/69/37/1055466937.db2.gz VCYCCWHAJJOTME-ZDUSSCGKSA-N 1 0 359.348 2.649 20 5 FFBDRO CCn1c([C@@H](C)[N+](=O)[O-])nnc1N1CC[N@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC001356351819 1055467943 /nfs/dbraw/zinc/46/79/43/1055467943.db2.gz NFAVJXSMPDLNMD-HZPDHXFCSA-N 1 0 372.473 2.594 20 5 FFBDRO CCn1c(-c2c[nH]c([N+](=O)[O-])c2)nnc1N1CCC(CC)([NH+](C)C)CC1 ZINC001356405070 1055489718 /nfs/dbraw/zinc/48/97/18/1055489718.db2.gz BMLUAKOVRZASGB-UHFFFAOYSA-N 1 0 361.450 2.512 20 5 FFBDRO O=C(NCC12CCC[NH+](CCC1)C2)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC001352475133 1055508171 /nfs/dbraw/zinc/50/81/71/1055508171.db2.gz NOUOGHHJXVLVNN-UHFFFAOYSA-N 1 0 372.469 2.801 20 5 FFBDRO [NH2+]=C(NCCc1ccc([N+](=O)[O-])cc1)N1CCN(c2ccc(F)cc2)CC1 ZINC000849066259 1055621656 /nfs/dbraw/zinc/62/16/56/1055621656.db2.gz LNRUAWKZWNEWBO-UHFFFAOYSA-N 1 0 371.416 2.623 20 5 FFBDRO Cn1c(-c2ccc([N+](=O)[O-])s2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001338720997 1055758144 /nfs/dbraw/zinc/75/81/44/1055758144.db2.gz QFWGSFIPCAOZHD-LBPRGKRZSA-N 1 0 362.459 2.516 20 5 FFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@]12C[C@H]1COC21CCC1 ZINC001352749669 1055763067 /nfs/dbraw/zinc/76/30/67/1055763067.db2.gz JPUHAYBPUOPVBG-QWQRMKEZSA-N 1 0 359.426 2.861 20 5 FFBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1C[C@H]2CCC[N@@H+]2Cc2ccccc21 ZINC001357702161 1055987775 /nfs/dbraw/zinc/98/77/75/1055987775.db2.gz RQHKDABPVJOJEV-QGZVFWFLSA-N 1 0 367.405 2.985 20 5 FFBDRO Cn1c(C(=O)NCCc2ccc([N+](=O)[O-])cc2)ccc1[C@H]1CCCC[NH2+]1 ZINC001353212557 1056193170 /nfs/dbraw/zinc/19/31/70/1056193170.db2.gz WXVIMEWTDSMWJF-MRXNPFEDSA-N 1 0 356.426 2.720 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC001358250617 1056217800 /nfs/dbraw/zinc/21/78/00/1056217800.db2.gz MADJQWHXFCDVCO-CQSZACIVSA-N 1 0 361.442 2.845 20 5 FFBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCC[N@@H+]1C ZINC001339263508 1056268165 /nfs/dbraw/zinc/26/81/65/1056268165.db2.gz GTUHXCGXRPJCAE-CQSZACIVSA-N 1 0 367.471 2.547 20 5 FFBDRO O=[N+]([O-])c1cc2c(cc1CNc1ccc(N3CCCC3)cn1)OCCO2 ZINC000611434554 1056444613 /nfs/dbraw/zinc/44/46/13/1056444613.db2.gz AZGGQFZVASAPBK-UHFFFAOYSA-N 1 0 356.382 2.973 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)c2nnc(-c3csc([N+](=O)[O-])c3)n2C)[C@H](C)C1 ZINC001339521493 1056545031 /nfs/dbraw/zinc/54/50/31/1056545031.db2.gz LTBFBADJWVICDT-DGCLKSJQSA-N 1 0 364.475 2.618 20 5 FFBDRO O=C(COc1ccc([N+](=O)[O-])cc1)NC[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC001544705070 1071680303 /nfs/dbraw/zinc/68/03/03/1071680303.db2.gz XDWUFMDGQSWYDV-QGZVFWFLSA-N 1 0 361.442 2.887 20 5 FFBDRO CN(C)c1cc(F)c(C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC001544800353 1071694159 /nfs/dbraw/zinc/69/41/59/1071694159.db2.gz KTEXCKRFKHCWIP-ZDUSSCGKSA-N 1 0 366.437 2.746 20 5 FFBDRO CC[C@H](CC(F)F)C(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001518548126 1058417404 /nfs/dbraw/zinc/41/74/04/1058417404.db2.gz JBXWGVUCTPZIOG-GFCCVEGCSA-N 1 0 370.400 2.967 20 5 FFBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)[C@H]3CCCCS3)c2)CC1 ZINC001518546837 1058417597 /nfs/dbraw/zinc/41/75/97/1058417597.db2.gz DZCSFYHZCLMCHZ-MRXNPFEDSA-N 1 0 364.471 2.571 20 5 FFBDRO CS[C@@H](C)CCC(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001518552029 1058419328 /nfs/dbraw/zinc/41/93/28/1058419328.db2.gz VGASGJBKSAWOCK-ZDUSSCGKSA-N 1 0 366.487 2.817 20 5 FFBDRO CN(C(=O)c1[nH]nc([N+](=O)[O-])c1Cl)C(C)(C)C[NH+]1CCCCCC1 ZINC001448024976 1058731640 /nfs/dbraw/zinc/73/16/40/1058731640.db2.gz VDDAWLSVMBUGHU-UHFFFAOYSA-N 1 0 357.842 2.698 20 5 FFBDRO O=C(N[C@H]1CC2(CC[NH2+]CC2)Oc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC001354671221 1059347881 /nfs/dbraw/zinc/34/78/81/1059347881.db2.gz STGFPONRKLLCNK-KRWDZBQOSA-N 1 0 367.405 2.971 20 5 FFBDRO Cc1cccc(C[N@@H+]2CC[C@@H](NC(=O)c3cc([N+](=O)[O-])cc(C)n3)C2)c1 ZINC001454307822 1059494701 /nfs/dbraw/zinc/49/47/01/1059494701.db2.gz CZWVEAGFQDIWFI-MRXNPFEDSA-N 1 0 354.410 2.611 20 5 FFBDRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000848350290 1059836583 /nfs/dbraw/zinc/83/65/83/1059836583.db2.gz PKPHJIKXXXAMEX-PKOBYXMFSA-N 1 0 372.469 2.942 20 5 FFBDRO CC[N@@H+]1CCC[C@H]1Cn1c(C)nnc1N(C)CCc1cccc([N+](=O)[O-])c1 ZINC001515855118 1059847389 /nfs/dbraw/zinc/84/73/89/1059847389.db2.gz SSPHJOQXHHVFLF-SFHVURJKSA-N 1 0 372.473 2.658 20 5 FFBDRO O=C1[C@H](c2ccc([N+](=O)[O-])cc2)CCN1CN1CCC([C@@H]2CCCO2)CC1 ZINC000848485530 1060131584 /nfs/dbraw/zinc/13/15/84/1060131584.db2.gz PHVVTIJODGEMOD-OALUTQOASA-N 1 0 373.453 2.759 20 5 FFBDRO CO[C@@H]1C[C@@H]([N@H+](C)CN2CC[C@@H](c3ccc([N+](=O)[O-])cc3)C2=O)C12CCC2 ZINC000848489262 1060141596 /nfs/dbraw/zinc/14/15/96/1060141596.db2.gz RQIRPALYOGGQPJ-RCCFBDPRSA-N 1 0 373.453 2.758 20 5 FFBDRO CO[C@@H]1C[C@H]([N@H+](C)CN2CC[C@H](c3ccc([N+](=O)[O-])cc3)C2=O)C12CCC2 ZINC000848489259 1060141759 /nfs/dbraw/zinc/14/17/59/1060141759.db2.gz RQIRPALYOGGQPJ-FGTMMUONSA-N 1 0 373.453 2.758 20 5 FFBDRO CSc1ccc(C(=O)OC[C@H]2CC[N@@H+]2C2CCOCC2)cc1[N+](=O)[O-] ZINC001517120651 1060354214 /nfs/dbraw/zinc/35/42/14/1060354214.db2.gz CARUZYRFCFZMDE-CQSZACIVSA-N 1 0 366.439 2.727 20 5 FFBDRO C[C@@H]1[C@@H](Nc2c3ccc(Br)cc3ncc2[N+](=O)[O-])CC[N@@H+]1C ZINC001458615572 1060634489 /nfs/dbraw/zinc/63/44/89/1060634489.db2.gz RWBAJUOLWPVNOH-SKDRFNHKSA-N 1 0 365.231 2.832 20 5 FFBDRO CC[C@H](c1ccccc1)[NH+]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC001459592407 1060777939 /nfs/dbraw/zinc/77/79/39/1060777939.db2.gz ZLTKOHWFRBEIQY-LJQANCHMSA-N 1 0 370.453 2.525 20 5 FFBDRO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])N1CCC2(CC[NH2+]C2)CC1 ZINC001521546692 1060955748 /nfs/dbraw/zinc/95/57/48/1060955748.db2.gz LEGPQGISQYDBIA-UHFFFAOYSA-N 1 0 351.834 2.783 20 5 FFBDRO C[C@@]1([NH2+]CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CCOc2ccccc21 ZINC001460823792 1061116919 /nfs/dbraw/zinc/11/69/19/1061116919.db2.gz MHTJTSSAZLVZBH-HXUWFJFHSA-N 1 0 367.405 2.771 20 5 FFBDRO CC(C)(C(=O)OC[C@@H]1CC[N@@H+]1C1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC001526620116 1061184237 /nfs/dbraw/zinc/18/42/37/1061184237.db2.gz GMTICYXATBKRMF-HNNXBMFYSA-N 1 0 362.426 2.669 20 5 FFBDRO COCc1ccc(C[NH2+]Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)cc1 ZINC001461024509 1061189422 /nfs/dbraw/zinc/18/94/22/1061189422.db2.gz VJHHUVNIKSPNNB-UHFFFAOYSA-N 1 0 374.393 2.583 20 5 FFBDRO COC(=O)c1ccc(C[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)cc1C ZINC001461687937 1061378249 /nfs/dbraw/zinc/37/82/49/1061378249.db2.gz OWOQPQFFWSILFO-IBGZPJMESA-N 1 0 358.394 2.687 20 5 FFBDRO COc1c(O)ccc(CN2CC[N@H+](C)[C@H](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC001462220885 1061542329 /nfs/dbraw/zinc/54/23/29/1061542329.db2.gz ZVWFRIITXOAAEG-QGZVFWFLSA-N 1 0 371.437 2.668 20 5 FFBDRO COc1c(O)ccc(C[NH2+][C@@H]2CCO[C@@H](c3cccnc3)C2)c1[N+](=O)[O-] ZINC001462377154 1061599866 /nfs/dbraw/zinc/59/98/66/1061599866.db2.gz POVKRVXIGNTHTC-GDBMZVCRSA-N 1 0 359.382 2.714 20 5 FFBDRO COCCC[N@H+](C)CCNC(=O)Nc1ccc([N+](=O)[O-])c2ccccc12 ZINC001477223323 1061632524 /nfs/dbraw/zinc/63/25/24/1061632524.db2.gz WCZCQADVEIAQGM-UHFFFAOYSA-N 1 0 360.414 2.838 20 5 FFBDRO C[C@@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])C[C@H]1NC(=O)OC(C)(C)C ZINC000769901098 1061911373 /nfs/dbraw/zinc/91/13/73/1061911373.db2.gz RYDKZCYMCGOUMB-ZIAGYGMSSA-N 1 0 365.430 2.819 20 5 FFBDRO C[N@@H+]1CCN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1(C)C ZINC001478577881 1062054424 /nfs/dbraw/zinc/05/44/24/1062054424.db2.gz NYMPVHIHWSBBAX-UHFFFAOYSA-N 1 0 374.363 2.849 20 5 FFBDRO Cc1nnc(N(C)Cc2ccccc2[N+](=O)[O-])n1C[C@H]1CC[N@@H+](C2CC2)C1 ZINC001492781985 1062205961 /nfs/dbraw/zinc/20/59/61/1062205961.db2.gz SUFLVHPTPFYAKR-HNNXBMFYSA-N 1 0 370.457 2.615 20 5 FFBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CC[C@@H](C[NH3+])[C@@H](C)C2)CC1 ZINC001523028710 1062364147 /nfs/dbraw/zinc/36/41/47/1062364147.db2.gz QAQOFMKSADQKBV-HOTGVXAUSA-N 1 0 374.485 2.888 20 5 FFBDRO CCc1ccccc1C[NH2+]CCC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001495413584 1063492415 /nfs/dbraw/zinc/49/24/15/1063492415.db2.gz QOMRIJKFQAFRKV-RTBURBONSA-N 1 0 359.470 2.633 20 5 FFBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)N[C@@H]3C[C@H]4CCC[C@@H]43)c2)CC1 ZINC001467374294 1063726265 /nfs/dbraw/zinc/72/62/65/1063726265.db2.gz YSBGJVFSXXPZED-VNQPRFMTSA-N 1 0 373.457 2.657 20 5 FFBDRO C[C@@H]1CCC[N@@H+]1CCNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001470054102 1064250200 /nfs/dbraw/zinc/25/02/00/1064250200.db2.gz WBUTXXVPGURFEM-LLVKDONJSA-N 1 0 374.363 2.897 20 5 FFBDRO CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)Nc1ccc2c[nH+]cn2c1 ZINC001472134689 1064947373 /nfs/dbraw/zinc/94/73/73/1064947373.db2.gz JTMLCGSHYAKONF-UHFFFAOYSA-N 1 0 357.301 2.592 20 5 FFBDRO CC(C)[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC001472327329 1065016600 /nfs/dbraw/zinc/01/66/00/1065016600.db2.gz FSXBFZLRVLQPKL-AEFFLSMTSA-N 1 0 361.442 2.695 20 5 FFBDRO CNc1ccc(C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C(C)C)cc1[N+](=O)[O-] ZINC001472329131 1065018550 /nfs/dbraw/zinc/01/85/50/1065018550.db2.gz UGSRWNZUQPOXTF-RDJZCZTQSA-N 1 0 360.458 2.971 20 5 FFBDRO CC(C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[NH2+][C@H](C)C1 ZINC001575583456 1078155081 /nfs/dbraw/zinc/15/50/81/1078155081.db2.gz CICRZXJVLUBMKJ-CQSZACIVSA-N 1 0 358.446 2.698 20 5 FFBDRO C[C@@H](CNC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N)[NH+]1CCCCC1 ZINC001472493539 1065080188 /nfs/dbraw/zinc/08/01/88/1065080188.db2.gz BSEFLBHFCLYKLQ-ZDUSSCGKSA-N 1 0 356.426 2.934 20 5 FFBDRO CC[NH+]1CCN(c2ccc(Nc3ncc([N+](=O)[O-])c(C)n3)cc2F)CC1 ZINC001472860437 1065160714 /nfs/dbraw/zinc/16/07/14/1065160714.db2.gz SIFDNTBUYJMOAI-UHFFFAOYSA-N 1 0 360.393 2.718 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)Cc1cccc(Br)c1 ZINC001473118660 1065202470 /nfs/dbraw/zinc/20/24/70/1065202470.db2.gz PDWUZUCBVZTQRD-UHFFFAOYSA-N 1 0 353.220 2.994 20 5 FFBDRO CC(C)(C)OC(=O)CC1([NH2+]CCn2cc([N+](=O)[O-])cn2)CCCCC1 ZINC001473588183 1065290825 /nfs/dbraw/zinc/29/08/25/1065290825.db2.gz VOAYBIJPMIHIKK-UHFFFAOYSA-N 1 0 352.435 2.816 20 5 FFBDRO COC(=O)CC[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001473767809 1065352289 /nfs/dbraw/zinc/35/22/89/1065352289.db2.gz NDQYNFRSGCODTP-KBPBESRZSA-N 1 0 363.414 2.587 20 5 FFBDRO C[C@@H]([NH2+][C@@H](C)C(=O)NC(=O)NCc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC001473784300 1065359228 /nfs/dbraw/zinc/35/92/28/1065359228.db2.gz WGGSDAOOUJEYOX-KGLIPLIRSA-N 1 0 370.409 2.660 20 5 FFBDRO CC[N@H+](CCn1ccc([N+](=O)[O-])n1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001473884957 1065405836 /nfs/dbraw/zinc/40/58/36/1065405836.db2.gz DLAPARMDZANZQX-UHFFFAOYSA-N 1 0 367.450 2.513 20 5 FFBDRO CC(C)(C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1)c1ccc([N+](=O)[O-])cc1F ZINC001576475890 1078233193 /nfs/dbraw/zinc/23/31/93/1078233193.db2.gz BSPDZIIJYCVQIG-LBPRGKRZSA-N 1 0 351.422 2.906 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001474833839 1065620233 /nfs/dbraw/zinc/62/02/33/1065620233.db2.gz BNEJYJWYZVYDDX-SWLSCSKDSA-N 1 0 369.487 2.610 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001474833840 1065620442 /nfs/dbraw/zinc/62/04/42/1065620442.db2.gz BNEJYJWYZVYDDX-WFASDCNBSA-N 1 0 369.487 2.610 20 5 FFBDRO CC[C@H](NC(=O)[C@@H]([NH3+])Cc1cccc(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC001578232791 1078453627 /nfs/dbraw/zinc/45/36/27/1078453627.db2.gz JHRZJWVLGFGKTQ-ROUUACIJSA-N 1 0 357.410 2.741 20 5 FFBDRO CCO[C@H]1C[C@@H]([NH2+]Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C1(CC)CC ZINC001578334705 1078465621 /nfs/dbraw/zinc/46/56/21/1078465621.db2.gz KMKUIINQQYUETQ-CVEARBPZSA-N 1 0 374.445 2.848 20 5 FFBDRO CN(C[C@H]1CC[NH2+]1)C(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC001578455040 1078475663 /nfs/dbraw/zinc/47/56/63/1078475663.db2.gz AORLPHDDDZWTDP-OAHLLOKOSA-N 1 0 355.394 2.608 20 5 FFBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]([NH3+])Cc1ccc2cc[nH]c2c1 ZINC001578496670 1078482654 /nfs/dbraw/zinc/48/26/54/1078482654.db2.gz NGDCJFSMFYHVLR-INIZCTEOSA-N 1 0 352.394 2.605 20 5 FFBDRO C[NH2+]C[C@@H](C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CC1CC1 ZINC001578628596 1078505819 /nfs/dbraw/zinc/50/58/19/1078505819.db2.gz FXLKAEDXIJUDPI-CYBMUJFWSA-N 1 0 358.446 2.555 20 5 FFBDRO C[NH+](C)[C@@H](CNc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC001578962593 1078554823 /nfs/dbraw/zinc/55/48/23/1078554823.db2.gz ULFQLPFCHNNUNH-HNNXBMFYSA-N 1 0 371.376 2.629 20 5 FFBDRO C[C@@H]([NH3+])Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H]2CCC[C@@H]21 ZINC001579401871 1078625595 /nfs/dbraw/zinc/62/55/95/1078625595.db2.gz BUDVLTPDPSSASJ-IOASZLSFSA-N 1 0 356.430 2.579 20 5 FFBDRO [NH3+]C[C@]12CC[C@H]1CCCN2C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001580249856 1078774068 /nfs/dbraw/zinc/77/40/68/1078774068.db2.gz DBFNSBCKSFFJAU-MEBBXXQBSA-N 1 0 357.332 2.957 20 5 FFBDRO O=C(NCC[NH2+]C1CC1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC001580689277 1078847612 /nfs/dbraw/zinc/84/76/12/1078847612.db2.gz DWADHVZFWGFHOO-UHFFFAOYSA-N 1 0 354.410 2.689 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2nnc(N3CC=CCC3)n2CC[NH+]2CCCC2)c1 ZINC001556038708 1075694065 /nfs/dbraw/zinc/69/40/65/1075694065.db2.gz LJLFQLMPGGGFLR-UHFFFAOYSA-N 1 0 368.441 2.715 20 5 FFBDRO C[NH+]1CCC([C@H]2CCN(C(=O)Cc3ccc(Cl)c([N+](=O)[O-])c3)C2)CC1 ZINC001556094249 1075699752 /nfs/dbraw/zinc/69/97/52/1075699752.db2.gz MWSNSOAGKBFTSP-HNNXBMFYSA-N 1 0 365.861 2.981 20 5 FFBDRO C[NH+](C)[C@@H]1C[C@H](NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C12CCC2 ZINC001557698916 1075875732 /nfs/dbraw/zinc/87/57/32/1075875732.db2.gz YJVVVTWHOUDPPP-DLBZAZTESA-N 1 0 359.426 2.547 20 5 FFBDRO Cc1cccc(C[N@@H+]2CC[C@H](NC(=O)Cc3ccccc3[N+](=O)[O-])C2)c1 ZINC001557759609 1075885299 /nfs/dbraw/zinc/88/52/99/1075885299.db2.gz ASWCSHVGHXQJOF-SFHVURJKSA-N 1 0 353.422 2.836 20 5 FFBDRO Cc1n[nH]c(C(=O)NCCC2CC[NH+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC001557758993 1075885311 /nfs/dbraw/zinc/88/53/11/1075885311.db2.gz CWZNUVDXSUVWOF-UHFFFAOYSA-N 1 0 371.441 2.658 20 5 FFBDRO O=C(NC[C@H]1C[NH+]2CCC1CC2)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001558680200 1076053847 /nfs/dbraw/zinc/05/38/47/1076053847.db2.gz OZJMVUHSFOFCBD-NSHDSACASA-N 1 0 357.332 2.685 20 5 FFBDRO O=[N+]([O-])c1ccc2ncc([N+](=O)[O-])c(N3CC[NH+](CCCF)CC3)c2c1 ZINC001559219063 1076136039 /nfs/dbraw/zinc/13/60/39/1076136039.db2.gz CLQIPHNXIPUNHM-UHFFFAOYSA-N 1 0 363.349 2.533 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC001560038211 1076215940 /nfs/dbraw/zinc/21/59/40/1076215940.db2.gz ITOZNVTZTSSVAX-QGZVFWFLSA-N 1 0 371.441 2.916 20 5 FFBDRO COc1c(O)ccc(C[N@@H+]2CCCN3c4ccccc4C[C@H]3C2)c1[N+](=O)[O-] ZINC001560865202 1076304654 /nfs/dbraw/zinc/30/46/54/1076304654.db2.gz SXVYKOYBZOHRPD-INIZCTEOSA-N 1 0 369.421 2.946 20 5 FFBDRO O=C1C[C@H]([NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CN1CC1CC1 ZINC001560983008 1076315955 /nfs/dbraw/zinc/31/59/55/1076315955.db2.gz NORKUWWQBDYPMR-SZMVWBNQSA-N 1 0 357.454 2.907 20 5 FFBDRO Cc1cc(S(=O)(=O)NC[C@H](C)C[NH+]2CCCCC2)c(C)cc1[N+](=O)[O-] ZINC001561150326 1076338730 /nfs/dbraw/zinc/33/87/30/1076338730.db2.gz CQHBECIFFIQOIB-ZDUSSCGKSA-N 1 0 369.487 2.612 20 5 FFBDRO C[N@@H+]1CCCC[C@H]1CNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC001562575173 1076504780 /nfs/dbraw/zinc/50/47/80/1076504780.db2.gz FKEKIGSOTWLLGF-NSHDSACASA-N 1 0 371.235 2.963 20 5 FFBDRO Cc1cc(Cl)ccc1C[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC1 ZINC001566587354 1076969216 /nfs/dbraw/zinc/96/92/16/1076969216.db2.gz BXZKITJFBKLDPI-IAGOWNOFSA-N 1 0 365.861 2.784 20 5 FFBDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001586938698 1079708749 /nfs/dbraw/zinc/70/87/49/1079708749.db2.gz RDIUSPJTJBEUQT-INIZCTEOSA-N 1 0 368.437 2.771 20 5 FFBDRO CC(C)([NH2+]Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC001589321704 1080481914 /nfs/dbraw/zinc/48/19/14/1080481914.db2.gz LHHBPJRWGYPHNJ-UHFFFAOYSA-N 1 0 356.361 2.939 20 5 FFBDRO C[C@H](c1cccc(-c2nn[nH]n2)c1)[N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001590043548 1080969669 /nfs/dbraw/zinc/96/96/69/1080969669.db2.gz OTQAGNNWJNGXFB-SJKOYZFVSA-N 1 0 368.397 2.501 20 5 FFBDRO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001590164678 1081063998 /nfs/dbraw/zinc/06/39/98/1081063998.db2.gz GSTNLWMTUYNFGI-KCJUWKMLSA-N 1 0 356.308 2.548 20 5 FFBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](CC(C)C)[NH+](C)C)cc1OC ZINC000042585443 249392554 /nfs/dbraw/zinc/39/25/54/249392554.db2.gz RICQUXLUQXLTRN-CYBMUJFWSA-N 1 0 367.446 2.708 20 5 FFBDRO O=[N+]([O-])c1cc(Br)cnc1N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000063201324 249615058 /nfs/dbraw/zinc/61/50/58/249615058.db2.gz LEJVWBGTQADMRN-LBPRGKRZSA-N 1 0 355.236 2.721 20 5 FFBDRO CC[C@H]1CN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CCN1CC(F)F ZINC000153389733 251131993 /nfs/dbraw/zinc/13/19/93/251131993.db2.gz FBFQPAIIENILOY-AWEZNQCLSA-N 1 0 371.384 2.623 20 5 FFBDRO COc1cc(C[NH2+][C@@H](C)[C@H]2CCOC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000163002171 251163963 /nfs/dbraw/zinc/16/39/63/251163963.db2.gz VBCCNMTXCYCHQZ-QWRGUYRKSA-N 1 0 360.357 2.762 20 5 FFBDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000155374697 251154732 /nfs/dbraw/zinc/15/47/32/251154732.db2.gz ZCUMBPWORHGEFQ-OAHLLOKOSA-N 1 0 368.437 2.874 20 5 FFBDRO O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000173521258 251198343 /nfs/dbraw/zinc/19/83/43/251198343.db2.gz XQQALWDAKZBORE-IBGZPJMESA-N 1 0 367.449 2.818 20 5 FFBDRO O=C(C[C@@H]1CN(Cc2ccccc2)CCO1)NCc1ccccc1[N+](=O)[O-] ZINC000175502142 251218306 /nfs/dbraw/zinc/21/83/06/251218306.db2.gz NXJGINHBWDIWOO-GOSISDBHSA-N 1 0 369.421 2.502 20 5 FFBDRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000267703780 251356680 /nfs/dbraw/zinc/35/66/80/251356680.db2.gz IHPASPROPSTSCC-UHFFFAOYSA-N 1 0 350.341 2.659 20 5 FFBDRO O=[N+]([O-])c1ccc(Br)cc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000268837110 251397154 /nfs/dbraw/zinc/39/71/54/251397154.db2.gz UTFJJMNDDYZXSN-GFCCVEGCSA-N 1 0 370.247 2.516 20 5 FFBDRO CC[N@@H+]1CC[C@@H](CNCc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C1 ZINC000272441808 252039849 /nfs/dbraw/zinc/03/98/49/252039849.db2.gz OPTUVVRBJAMCQN-LBPRGKRZSA-N 1 0 373.400 2.679 20 5 FFBDRO C[C@H]1C[C@@H](N(C)C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000272465991 252046564 /nfs/dbraw/zinc/04/65/64/252046564.db2.gz HPGXGZIUZJQBKJ-WFASDCNBSA-N 1 0 368.865 2.915 20 5 FFBDRO C[C@H]1C[NH+](Cc2ccc(CNc3ncc([N+](=O)[O-])cn3)cc2)C[C@H](C)O1 ZINC000273181617 252242864 /nfs/dbraw/zinc/24/28/64/252242864.db2.gz OGYWUTUQSDTHDL-KBPBESRZSA-N 1 0 357.414 2.606 20 5 FFBDRO C[C@H](CCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000273150288 252232180 /nfs/dbraw/zinc/23/21/80/252232180.db2.gz LVEVEIPBDXZEKS-CYBMUJFWSA-N 1 0 355.460 2.675 20 5 FFBDRO CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c(C)s2)C[C@@H]1[NH+]1CCCC1 ZINC000273490605 252316039 /nfs/dbraw/zinc/31/60/39/252316039.db2.gz KONYRQAVZZRYEZ-GXTWGEPZSA-N 1 0 355.485 2.617 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCc3ccc(F)cc32)cc1 ZINC000273504984 252319673 /nfs/dbraw/zinc/31/96/73/252319673.db2.gz ZLJPJRVFHHUHQF-QGZVFWFLSA-N 1 0 364.398 2.785 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000275640571 256034059 /nfs/dbraw/zinc/03/40/59/256034059.db2.gz MGPXWOVTYDASNC-AWEZNQCLSA-N 1 0 362.430 2.799 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C1CCN(S(=O)(=O)C(C)(C)C)CC1 ZINC000276888543 256139371 /nfs/dbraw/zinc/13/93/71/256139371.db2.gz FUIGZYWYOREEKW-UHFFFAOYSA-N 1 0 369.487 2.586 20 5 FFBDRO CCOc1cc(C[N@@H+]2CCC[C@H](C3(C)OCCO3)C2)ccc1[N+](=O)[O-] ZINC000276894231 256139918 /nfs/dbraw/zinc/13/99/18/256139918.db2.gz KSKIMKVPWLCIDE-HNNXBMFYSA-N 1 0 350.415 2.969 20 5 FFBDRO CCc1n[nH]c(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000278430112 256311903 /nfs/dbraw/zinc/31/19/03/256311903.db2.gz CYGFRFPWNGESIH-CZUORRHYSA-N 1 0 371.441 2.521 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(C)CCN1CCOC(C)(C)C1 ZINC000278591545 256328787 /nfs/dbraw/zinc/32/87/87/256328787.db2.gz ANSVCNKFULOMCQ-UHFFFAOYSA-N 1 0 364.446 2.786 20 5 FFBDRO CN(C)c1cc(F)c(C(=O)N2CCC[C@H]2C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000279185925 256391285 /nfs/dbraw/zinc/39/12/85/256391285.db2.gz IXBXFFUAURVQPV-ZDUSSCGKSA-N 1 0 364.421 2.500 20 5 FFBDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000278903133 256360353 /nfs/dbraw/zinc/36/03/53/256360353.db2.gz RVDRCUYQLFNNNO-GFCCVEGCSA-N 1 0 367.833 2.574 20 5 FFBDRO CO[C@@H]1[C@H]2C[C@H]3C[N@H+](Cc4nnc(-c5ccc([N+](=O)[O-])cc5)o4)[C@H]1[C@H]3C2 ZINC000286348318 257032420 /nfs/dbraw/zinc/03/24/20/257032420.db2.gz FJUJMJBFHZJIAG-UOYADTOYSA-N 1 0 356.382 2.500 20 5 FFBDRO CC(C)NC(=O)c1ccc(N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c([N+](=O)[O-])c1 ZINC000286471668 257038851 /nfs/dbraw/zinc/03/88/51/257038851.db2.gz UGSQDVVKFLWGIV-XYPWUTKMSA-N 1 0 360.458 2.794 20 5 FFBDRO CC1(C)C[C@@H]([NH2+]C[C@@H]2CCCS(=O)(=O)C2)c2cc([N+](=O)[O-])ccc21 ZINC000287002897 257066433 /nfs/dbraw/zinc/06/64/33/257066433.db2.gz KECJMKOYYMYIDZ-BLLLJJGKSA-N 1 0 352.456 2.732 20 5 FFBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000287013899 257067048 /nfs/dbraw/zinc/06/70/48/257067048.db2.gz ROXIRXMARIBWRW-GUYCJALGSA-N 1 0 364.421 2.621 20 5 FFBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000287013904 257067113 /nfs/dbraw/zinc/06/71/13/257067113.db2.gz ROXIRXMARIBWRW-SUMWQHHRSA-N 1 0 364.421 2.621 20 5 FFBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000287039381 257068734 /nfs/dbraw/zinc/06/87/34/257068734.db2.gz SVKNHUXOTKDYPS-IUODEOHRSA-N 1 0 366.849 2.745 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1C[C@H](N2CCOCC2)C[C@H]1C ZINC000287066041 257069947 /nfs/dbraw/zinc/06/99/47/257069947.db2.gz HPQZDHHMFFULCA-HUUCEWRRSA-N 1 0 362.430 2.539 20 5 FFBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1c1ncc(Br)cc1[N+](=O)[O-] ZINC000286403406 257035230 /nfs/dbraw/zinc/03/52/30/257035230.db2.gz PTOSQGLOOPKFLK-JQWIXIFHSA-N 1 0 355.236 2.815 20 5 FFBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000288306566 257172633 /nfs/dbraw/zinc/17/26/33/257172633.db2.gz IHLDWEMEEKOWPV-DOMZBBRYSA-N 1 0 351.834 2.876 20 5 FFBDRO [NH3+][C@H]1CCc2nc(NC(=O)CSc3ccc([N+](=O)[O-])cc3)sc2C1 ZINC000288803440 257228836 /nfs/dbraw/zinc/22/88/36/257228836.db2.gz RVFHRRLZDADNRG-VIFPVBQESA-N 1 0 364.452 2.598 20 5 FFBDRO O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000289288649 257271688 /nfs/dbraw/zinc/27/16/88/257271688.db2.gz QVVIESDLDZHNSK-GOSISDBHSA-N 1 0 372.450 2.934 20 5 FFBDRO COCCN(C)c1ccc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])cn1 ZINC000289325474 257274434 /nfs/dbraw/zinc/27/44/34/257274434.db2.gz GEKAEKHPINZIQA-UHFFFAOYSA-N 1 0 358.442 2.747 20 5 FFBDRO COC[C@]1(C[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)OCCc2ccccc21 ZINC000289873814 257304095 /nfs/dbraw/zinc/30/40/95/257304095.db2.gz PGBZPSLOJACTQM-FQEVSTJZSA-N 1 0 372.421 2.808 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])c(-c2nc([C@H]3C[N@@H+]4CCC[C@H]4CO3)no2)c1 ZINC000289969636 257309246 /nfs/dbraw/zinc/30/92/46/257309246.db2.gz ZZAMAFLBWWOUBQ-XHDPSFHLSA-N 1 0 360.370 2.579 20 5 FFBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@H](n2cc(Cl)cn2)C1 ZINC000290063365 257313637 /nfs/dbraw/zinc/31/36/37/257313637.db2.gz XWJPXICSTITISX-ABAIWWIYSA-N 1 0 363.805 2.719 20 5 FFBDRO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C12CCC[NH+]1CCC2 ZINC000290553634 257341102 /nfs/dbraw/zinc/34/11/02/257341102.db2.gz WZFNRILPBLAUAP-UHFFFAOYSA-N 1 0 357.332 2.858 20 5 FFBDRO O=C(N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)C12CCC[NH+]1CCC2 ZINC000290840570 257360368 /nfs/dbraw/zinc/36/03/68/257360368.db2.gz NOEKPWGVYQAANX-UHFFFAOYSA-N 1 0 359.426 2.593 20 5 FFBDRO O=C(NCCC[C@H]1CCC[NH2+]1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000294800321 257603147 /nfs/dbraw/zinc/60/31/47/257603147.db2.gz IIJSNWPSTPUKNQ-CYBMUJFWSA-N 1 0 360.439 2.980 20 5 FFBDRO COC(=O)[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)C[C@H]1c1ccc(O)cc1 ZINC000296186324 257680553 /nfs/dbraw/zinc/68/05/53/257680553.db2.gz YCWPQXAHLSSKTQ-ZWKOTPCHSA-N 1 0 356.378 2.689 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(OC)c(F)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000297711927 257854143 /nfs/dbraw/zinc/85/41/43/257854143.db2.gz NCQZDGJOIKIUTH-FZMZJTMJSA-N 1 0 353.394 2.545 20 5 FFBDRO CC(C)NC(=O)c1ccc(N2CCC[C@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000301234722 258035549 /nfs/dbraw/zinc/03/55/49/258035549.db2.gz HAKGNNNTYNOSSN-INIZCTEOSA-N 1 0 360.458 2.798 20 5 FFBDRO CC1CCC([NH+]2CCN(c3cc4nc[nH]c(=O)c4cc3[N+](=O)[O-])CC2)CC1 ZINC000301260505 258037474 /nfs/dbraw/zinc/03/74/74/258037474.db2.gz FGZMJLRPJHVBPO-UHFFFAOYSA-N 1 0 371.441 2.944 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC([NH+]2CCCCC2)CC1 ZINC000299590205 258007873 /nfs/dbraw/zinc/00/78/73/258007873.db2.gz FHWXVBLCWSPOQR-UHFFFAOYSA-N 1 0 360.458 2.792 20 5 FFBDRO Cc1c(CO)cc([N+](=O)[O-])c(N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000301598895 258058170 /nfs/dbraw/zinc/05/81/70/258058170.db2.gz UFPHJTBMEWOSAP-CHWSQXEVSA-N 1 0 352.391 2.588 20 5 FFBDRO C[C@H]1C[C@H](C)C[NH+](CCCNc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 ZINC000301703490 258063914 /nfs/dbraw/zinc/06/39/14/258063914.db2.gz UPZPCMZDRQYBTD-STQMWFEESA-N 1 0 362.430 2.706 20 5 FFBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000301884066 258072456 /nfs/dbraw/zinc/07/24/56/258072456.db2.gz LJRFXFMTTPJLRQ-HZSPNIEDSA-N 1 0 369.487 2.777 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CN1C[C@@H]([NH+]2CCCC2)[C@@H](SC)C1 ZINC000332106521 258214471 /nfs/dbraw/zinc/21/44/71/258214471.db2.gz ZPIIKNJTODOBAS-WBVHZDCISA-N 1 0 351.472 2.615 20 5 FFBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CCC[N@H+](C)CC2)CC1 ZINC000097617734 132229936 /nfs/dbraw/zinc/22/99/36/132229936.db2.gz HBOFKQOIRXWCPO-UHFFFAOYSA-N 1 0 360.458 2.609 20 5 FFBDRO COc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]2)[NH+]2CCCCC2)cc1 ZINC000052950510 506283391 /nfs/dbraw/zinc/28/33/91/506283391.db2.gz UCILXUYDXOMYQD-GOSISDBHSA-N 1 0 372.425 2.889 20 5 FFBDRO O=C(CC1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1)N1CCCC1 ZINC000065534782 506318668 /nfs/dbraw/zinc/31/86/68/506318668.db2.gz HHDDDFIBHPRLJI-UHFFFAOYSA-N 1 0 361.442 2.698 20 5 FFBDRO COC[C@H]1CCCC[N@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000375104757 512164791 /nfs/dbraw/zinc/16/47/91/512164791.db2.gz HYDIVPQZVTZASM-AWEZNQCLSA-N 1 0 365.430 2.681 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N=c1ccn(C2CC[NH+](C)CC2)[nH]1 ZINC000373237356 512234503 /nfs/dbraw/zinc/23/45/03/512234503.db2.gz QCPNBSUFTCYFMP-UHFFFAOYSA-N 1 0 371.441 2.657 20 5 FFBDRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000065939279 506398881 /nfs/dbraw/zinc/39/88/81/506398881.db2.gz DQERCJQJKCFSOZ-UHFFFAOYSA-N 1 0 374.416 2.736 20 5 FFBDRO CNC(=O)c1ccc(N[C@H]2CC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000053550759 506401861 /nfs/dbraw/zinc/40/18/61/506401861.db2.gz RSVIBEFCSXLUEG-INIZCTEOSA-N 1 0 354.410 2.641 20 5 FFBDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000066042194 506414217 /nfs/dbraw/zinc/41/42/17/506414217.db2.gz OIRXGTDNVFQBPR-HNNXBMFYSA-N 1 0 358.442 2.930 20 5 FFBDRO Cc1noc(C2CC[NH+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3C)CC2)n1 ZINC000053640277 506420301 /nfs/dbraw/zinc/42/03/01/506420301.db2.gz JRHCNLLKXOTQNC-UHFFFAOYSA-N 1 0 373.413 2.803 20 5 FFBDRO C[NH+](C)Cc1cccc(CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)c1 ZINC000054647739 506594047 /nfs/dbraw/zinc/59/40/47/506594047.db2.gz KAMRRCNKXHCEIZ-UHFFFAOYSA-N 1 0 356.426 2.698 20 5 FFBDRO CC1CC[NH+](CCCCNC(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000054646711 506595149 /nfs/dbraw/zinc/59/51/49/506595149.db2.gz DZUHRYXOWHZJFU-UHFFFAOYSA-N 1 0 362.474 2.949 20 5 FFBDRO C[NH+](C)CCNC(=O)c1cccc(CNc2ccc([N+](=O)[O-])cc2F)c1 ZINC000066816440 506651421 /nfs/dbraw/zinc/65/14/21/506651421.db2.gz LOWHVLMBVGFCDO-UHFFFAOYSA-N 1 0 360.389 2.637 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)NCC[N@H+](C)C3CC3)cc2[N+](=O)[O-])C1 ZINC000066924708 506696893 /nfs/dbraw/zinc/69/68/93/506696893.db2.gz MKINPQJPYYENHN-CQSZACIVSA-N 1 0 360.458 2.655 20 5 FFBDRO C[N@H+](CCCNC(=O)COc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000009981723 506720264 /nfs/dbraw/zinc/72/02/64/506720264.db2.gz JVRAWUOTHQTAPC-UHFFFAOYSA-N 1 0 357.410 2.612 20 5 FFBDRO C[NH+](C)Cc1cccc(NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)c1 ZINC000044276690 506827717 /nfs/dbraw/zinc/82/77/17/506827717.db2.gz WIMYRCXFZDDLHQ-UHFFFAOYSA-N 1 0 357.414 2.890 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)c1 ZINC000067542800 506918404 /nfs/dbraw/zinc/91/84/04/506918404.db2.gz LDKJDYKQCROFBB-UHFFFAOYSA-N 1 0 369.421 2.952 20 5 FFBDRO COc1ccc(CC(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000067907112 507048288 /nfs/dbraw/zinc/04/82/88/507048288.db2.gz UEFMTKSYHDXCSH-OAHLLOKOSA-N 1 0 363.458 2.774 20 5 FFBDRO COc1ccc(CC(=O)N(CC[NH+](C)C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000067914842 507050904 /nfs/dbraw/zinc/05/09/04/507050904.db2.gz SWTQKIPSFRRMDQ-UHFFFAOYSA-N 1 0 371.437 2.736 20 5 FFBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000068085446 507104400 /nfs/dbraw/zinc/10/44/00/507104400.db2.gz FWOHDACXEMKQFC-HZPDHXFCSA-N 1 0 363.458 2.848 20 5 FFBDRO COc1ccc(CC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000068132049 507122857 /nfs/dbraw/zinc/12/28/57/507122857.db2.gz XZAJIHPHAQSHOY-MRXNPFEDSA-N 1 0 361.442 2.623 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000068265715 507167456 /nfs/dbraw/zinc/16/74/56/507167456.db2.gz IRLRZBVUOMAHMU-NSHDSACASA-N 1 0 367.833 2.759 20 5 FFBDRO COc1ccc(C(=O)Nc2ccc(OCC[NH+](C)C)cc2)cc1[N+](=O)[O-] ZINC000046723190 507182232 /nfs/dbraw/zinc/18/22/32/507182232.db2.gz RILQPPCJTUSESW-UHFFFAOYSA-N 1 0 359.382 2.796 20 5 FFBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000057148230 507185326 /nfs/dbraw/zinc/18/53/26/507185326.db2.gz SCVHEPWTLFHNJR-MGPQQGTHSA-N 1 0 369.487 2.777 20 5 FFBDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000021319787 507250772 /nfs/dbraw/zinc/25/07/72/507250772.db2.gz LHNOYUBYFKQOMT-UHFFFAOYSA-N 1 0 354.410 2.907 20 5 FFBDRO CC[NH+]1CCC(n2nccc2NC(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000068742772 507311991 /nfs/dbraw/zinc/31/19/91/507311991.db2.gz ADGDMKJXFWFBHH-UHFFFAOYSA-N 1 0 357.414 2.629 20 5 FFBDRO CC(C)[N@@H+]1CCCN(C(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000068775367 507319122 /nfs/dbraw/zinc/31/91/22/507319122.db2.gz IIWSZYJTVFQSTI-CYBMUJFWSA-N 1 0 369.849 2.958 20 5 FFBDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000069006790 507378876 /nfs/dbraw/zinc/37/88/76/507378876.db2.gz CPJFMVVEMDSRLV-CQSZACIVSA-N 1 0 367.421 2.884 20 5 FFBDRO O=C(NC1CC1)[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000069163015 507425803 /nfs/dbraw/zinc/42/58/03/507425803.db2.gz JZYUSNCFBMIJJL-GOSISDBHSA-N 1 0 357.385 2.886 20 5 FFBDRO COC(=O)c1ccc(C[N@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000026321641 507577362 /nfs/dbraw/zinc/57/73/62/507577362.db2.gz OKYXSPWIYCTNAS-UHFFFAOYSA-N 1 0 371.393 2.842 20 5 FFBDRO CCOc1ccc(C[N@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000026711954 507603816 /nfs/dbraw/zinc/60/38/16/507603816.db2.gz PDIYWEINBCXESH-QGZVFWFLSA-N 1 0 360.410 2.865 20 5 FFBDRO C[NH+](C)C1(CNC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CCCCC1 ZINC000049929733 507642427 /nfs/dbraw/zinc/64/24/27/507642427.db2.gz PZBUWSACWAYBLN-UHFFFAOYSA-N 1 0 371.441 2.775 20 5 FFBDRO CC(C)C[NH+]1CCN([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000049969384 507646108 /nfs/dbraw/zinc/64/61/08/507646108.db2.gz FBADTLAPTHNINU-CYBMUJFWSA-N 1 0 368.865 2.849 20 5 FFBDRO CNc1ccc(C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000027581305 507669104 /nfs/dbraw/zinc/66/91/04/507669104.db2.gz LRVUCFLCIFYWIM-MRXNPFEDSA-N 1 0 356.426 2.539 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NC2CC[NH+](CC3CCCC3)CC2)s1 ZINC000063311245 507715333 /nfs/dbraw/zinc/71/53/33/507715333.db2.gz WOCYJHSNSUNJLW-UHFFFAOYSA-N 1 0 373.500 2.589 20 5 FFBDRO CC(=O)c1ccc(NC2CCN(C3CC[NH+](C)CC3)CC2)c([N+](=O)[O-])c1 ZINC000050954594 507720524 /nfs/dbraw/zinc/72/05/24/507720524.db2.gz DNOAGMFYFDTLAO-UHFFFAOYSA-N 1 0 360.458 2.768 20 5 FFBDRO CC1CCC(OC2CC[NH+](CCn3cc([N+](=O)[O-])ccc3=O)CC2)CC1 ZINC000367141587 512357059 /nfs/dbraw/zinc/35/70/59/512357059.db2.gz QVGGHRIZGNLOOA-UHFFFAOYSA-N 1 0 363.458 2.816 20 5 FFBDRO NC(=O)c1ccc(C[N@H+](CCOc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000051475362 507772697 /nfs/dbraw/zinc/77/26/97/507772697.db2.gz CEXQUIFAIOHSLG-UHFFFAOYSA-N 1 0 355.394 2.737 20 5 FFBDRO O=[N+]([O-])c1ccc(NCCN2CC[NH+](Cc3ccccc3)CC2)c(F)c1 ZINC000029584404 507783004 /nfs/dbraw/zinc/78/30/04/507783004.db2.gz MQCZAVHXFXAHPW-UHFFFAOYSA-N 1 0 358.417 2.964 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCC[NH+]1CCCC1 ZINC000064419261 507795912 /nfs/dbraw/zinc/79/59/12/507795912.db2.gz GRTNYIGGEDQHSW-GFCCVEGCSA-N 1 0 355.822 2.618 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000064419349 507796146 /nfs/dbraw/zinc/79/61/46/507796146.db2.gz IRLRZBVUOMAHMU-LLVKDONJSA-N 1 0 367.833 2.759 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC(C[NH+]3CCOCC3)CC2)c2ccncc21 ZINC000052325996 507806601 /nfs/dbraw/zinc/80/66/01/507806601.db2.gz YTCSWXAAVYZJNM-UHFFFAOYSA-N 1 0 356.426 2.692 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCCc2ccccc2C1 ZINC000106887307 507826225 /nfs/dbraw/zinc/82/62/25/507826225.db2.gz UKIVIZSTHHGYEG-UHFFFAOYSA-N 1 0 355.394 2.990 20 5 FFBDRO COc1ccccc1OCC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072665142 507840281 /nfs/dbraw/zinc/84/02/81/507840281.db2.gz MWIJTBIKICGVKO-AWEZNQCLSA-N 1 0 358.398 2.564 20 5 FFBDRO COc1cc(NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000089644756 507853203 /nfs/dbraw/zinc/85/32/03/507853203.db2.gz XBUAPUCIIBYBSQ-IRXDYDNUSA-N 1 0 357.410 2.651 20 5 FFBDRO O=[N+]([O-])c1cnc(NC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)c(Cl)c1 ZINC000089644368 507853476 /nfs/dbraw/zinc/85/34/76/507853476.db2.gz MOLBNUYVIDEWEC-UKRRQHHQSA-N 1 0 362.817 2.691 20 5 FFBDRO COc1cc(N[C@H](C)C[NH+]2CCN(c3ccccn3)CC2)ccc1[N+](=O)[O-] ZINC000078291072 507856889 /nfs/dbraw/zinc/85/68/89/507856889.db2.gz JOWWZCCZXDYHMN-OAHLLOKOSA-N 1 0 371.441 2.621 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CC[C@H](C[NH+]3CCOCC3)C2)c(C(F)(F)F)c1 ZINC000078404621 507868482 /nfs/dbraw/zinc/86/84/82/507868482.db2.gz PXSWJPXCOHBIMG-GFCCVEGCSA-N 1 0 359.348 2.772 20 5 FFBDRO CCSCC[C@H](C)[N@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000072901855 507871802 /nfs/dbraw/zinc/87/18/02/507871802.db2.gz QIKSCFUOELHEOW-ZDUSSCGKSA-N 1 0 351.472 2.947 20 5 FFBDRO CCOC[C@@H]1CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000072976366 507879420 /nfs/dbraw/zinc/87/94/20/507879420.db2.gz WPRFEYRYOMUZKU-CQSZACIVSA-N 1 0 365.430 2.681 20 5 FFBDRO CC[C@H](NC(=O)Nc1ccn(CC[NH+](C)C)n1)c1cccc([N+](=O)[O-])c1 ZINC000078621215 507890578 /nfs/dbraw/zinc/89/05/78/507890578.db2.gz RIALJJWFFLEHHA-HNNXBMFYSA-N 1 0 360.418 2.626 20 5 FFBDRO CC[NH+](CC)CCOC1CCN(C(=O)c2cc([N+](=O)[O-])c(C)s2)CC1 ZINC000073247201 507907217 /nfs/dbraw/zinc/90/72/17/507907217.db2.gz DRRXNMNWCSHKKO-UHFFFAOYSA-N 1 0 369.487 2.928 20 5 FFBDRO CC[NH+](CC)CCOC1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000073247132 507907269 /nfs/dbraw/zinc/90/72/69/507907269.db2.gz DLFUCMQWNPRBBD-UHFFFAOYSA-N 1 0 355.460 2.619 20 5 FFBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000079803757 508002551 /nfs/dbraw/zinc/00/25/51/508002551.db2.gz LCFQDPHQPKFPIJ-SNVBAGLBSA-N 1 0 358.236 2.817 20 5 FFBDRO CC[NH+](CC)CCOC1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000075063825 508080670 /nfs/dbraw/zinc/08/06/70/508080670.db2.gz OUXUNANKKHLSKR-UHFFFAOYSA-N 1 0 351.447 2.931 20 5 FFBDRO CCOc1cc(Sc2nnc([C@H]3CCC[NH2+]C3)n2C)ccc1[N+](=O)[O-] ZINC000092655493 508091392 /nfs/dbraw/zinc/09/13/92/508091392.db2.gz IWLVACFFUQBEEZ-NSHDSACASA-N 1 0 363.443 2.740 20 5 FFBDRO CCc1ccc([C@H]2CCCCC[N@@H+]2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)o1 ZINC000075765728 508133109 /nfs/dbraw/zinc/13/31/09/508133109.db2.gz LPWLQSAWIQDKDK-DOTOQJQBSA-N 1 0 362.430 2.925 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCCC2(CC[NH+](C)CC2)C1 ZINC000367200242 512381534 /nfs/dbraw/zinc/38/15/34/512381534.db2.gz NLQVGECTMHELEB-UHFFFAOYSA-N 1 0 360.458 2.650 20 5 FFBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000081363826 508167594 /nfs/dbraw/zinc/16/75/94/508167594.db2.gz HYGJSYYWZOXSST-CYBMUJFWSA-N 1 0 353.850 2.981 20 5 FFBDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000083057310 508235377 /nfs/dbraw/zinc/23/53/77/508235377.db2.gz KGSXZWGWYCOAMJ-MRXNPFEDSA-N 1 0 350.419 2.559 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+](Cc2cccc(O)c2)CC2CC2)c1 ZINC000112978957 508236899 /nfs/dbraw/zinc/23/68/99/508236899.db2.gz ANFQVJZRNRGSLY-LJQANCHMSA-N 1 0 372.421 2.952 20 5 FFBDRO C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000103481683 508314946 /nfs/dbraw/zinc/31/49/46/508314946.db2.gz VVGWVCZONBHOGQ-NSHDSACASA-N 1 0 367.402 2.574 20 5 FFBDRO CCCCN(C(=O)Cn1ccc([N+](=O)[O-])n1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000103983661 508325348 /nfs/dbraw/zinc/32/53/48/508325348.db2.gz IWLYTRMLBXNGBK-UHFFFAOYSA-N 1 0 365.478 2.729 20 5 FFBDRO O=C(COc1ccccc1[N+](=O)[O-])NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000114644909 508333494 /nfs/dbraw/zinc/33/34/94/508333494.db2.gz FGDKRWFKPCRJFG-QGZVFWFLSA-N 1 0 369.421 2.754 20 5 FFBDRO CC[NH+]1CCC(CCNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC000087138487 508339284 /nfs/dbraw/zinc/33/92/84/508339284.db2.gz ULNLFUNVAQHHRR-UHFFFAOYSA-N 1 0 360.458 2.785 20 5 FFBDRO CC[NH+](CC)CCN(CCOC)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000104970013 508355213 /nfs/dbraw/zinc/35/52/13/508355213.db2.gz CTOJRGUFDRCGGC-UHFFFAOYSA-N 1 0 352.435 2.725 20 5 FFBDRO CCOC(=O)c1ccnc(NCC[N@H+](C)C2CCCCC2)c1[N+](=O)[O-] ZINC000133493772 508407036 /nfs/dbraw/zinc/40/70/36/508407036.db2.gz ULBHXRKILJFXEN-UHFFFAOYSA-N 1 0 350.419 2.843 20 5 FFBDRO C[N@H+](CCCO)C1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000115636832 508419244 /nfs/dbraw/zinc/41/92/44/508419244.db2.gz ZIDCWFXNYULGDZ-UHFFFAOYSA-N 1 0 370.837 2.559 20 5 FFBDRO CN(C)C(=O)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000133588203 508421308 /nfs/dbraw/zinc/42/13/08/508421308.db2.gz KVCOPYMFJOHKFE-UHFFFAOYSA-N 1 0 358.398 2.654 20 5 FFBDRO CC(C)(C)OC(=O)[C@@H]1CCCN(CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000156650327 508456616 /nfs/dbraw/zinc/45/66/16/508456616.db2.gz JHJGNMNNQIXWOL-CYBMUJFWSA-N 1 0 363.414 2.587 20 5 FFBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000121999475 508464378 /nfs/dbraw/zinc/46/43/78/508464378.db2.gz VSGGRZLGYLGSBQ-RNCFNFMXSA-N 1 0 356.220 2.699 20 5 FFBDRO O=C([C@H]1CCC[N@H+](Cc2cccnc2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000116391751 508506392 /nfs/dbraw/zinc/50/63/92/508506392.db2.gz AKBUVSVXUNSICU-KRWDZBQOSA-N 1 0 366.421 2.791 20 5 FFBDRO CCC(CC)(CNC(=O)c1c([N+](=O)[O-])cnn1C)[NH2+][C@H](C)c1ccccc1 ZINC000122377861 508525574 /nfs/dbraw/zinc/52/55/74/508525574.db2.gz FKJPAANGVLNXJJ-CQSZACIVSA-N 1 0 373.457 2.968 20 5 FFBDRO CC(C)c1ccc(C[NH+]2CCN(CCn3cc([N+](=O)[O-])cn3)CC2)cc1 ZINC000157407026 508563188 /nfs/dbraw/zinc/56/31/88/508563188.db2.gz OPTBYFPLCLEZCL-UHFFFAOYSA-N 1 0 357.458 2.733 20 5 FFBDRO CC[C@@H](O)[C@@H]1CCCC[N@@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000117341318 508593681 /nfs/dbraw/zinc/59/36/81/508593681.db2.gz LOERFPSHDCWJEX-GOEBONIOSA-N 1 0 363.414 2.518 20 5 FFBDRO CCCS(=O)(=O)N1CCC([NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000122906526 508605693 /nfs/dbraw/zinc/60/56/93/508605693.db2.gz JZPZKRYNZUGRNZ-AWEZNQCLSA-N 1 0 369.487 2.758 20 5 FFBDRO COc1cc(C(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000153762337 508644126 /nfs/dbraw/zinc/64/41/26/508644126.db2.gz RDZFOEAGQIYBLW-UHFFFAOYSA-N 1 0 373.409 2.933 20 5 FFBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H](C)CN2CCOCC2)cc1[N+](=O)[O-] ZINC000153902154 508673854 /nfs/dbraw/zinc/67/38/54/508673854.db2.gz FLSQBSSYHZZVNM-LSDHHAIUSA-N 1 0 351.447 2.612 20 5 FFBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)[N@@H+]1CCC[C@H](C)C1 ZINC000123422357 508683859 /nfs/dbraw/zinc/68/38/59/508683859.db2.gz MYSUNKDAEPTKJL-KBPBESRZSA-N 1 0 356.426 2.993 20 5 FFBDRO COc1cc(C[N@@H+]2CCC[C@@H]2C(C)(C)O)c([N+](=O)[O-])cc1OC(F)F ZINC000118984669 508700879 /nfs/dbraw/zinc/70/08/79/508700879.db2.gz DGRNOBVFWSZPSM-CQSZACIVSA-N 1 0 360.357 2.940 20 5 FFBDRO CCOc1ccc([C@H](C)[NH2+]Cc2cccc(OCC(N)=O)c2)cc1[N+](=O)[O-] ZINC000154041668 508705184 /nfs/dbraw/zinc/70/51/84/508705184.db2.gz HBUWTIZNWZLSPU-ZDUSSCGKSA-N 1 0 373.409 2.708 20 5 FFBDRO CCCN(C(=O)c1n[nH]cc1[N+](=O)[O-])[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000136798605 508717401 /nfs/dbraw/zinc/71/74/01/508717401.db2.gz MKKKNDFPEXODII-MRXNPFEDSA-N 1 0 371.441 2.835 20 5 FFBDRO O=C(NC1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1)c1ccccc1 ZINC000136896771 508722886 /nfs/dbraw/zinc/72/28/86/508722886.db2.gz ITXPLJOXAIRIOT-LJQANCHMSA-N 1 0 369.421 2.523 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N3C[C@@H](C)[NH2+][C@@H](C)C3)cc2[N+](=O)[O-])CC1 ZINC000154152645 508726475 /nfs/dbraw/zinc/72/64/75/508726475.db2.gz IXWJRFBRBAMJTE-GASCZTMLSA-N 1 0 360.458 2.654 20 5 FFBDRO O=C(CCc1cccc([N+](=O)[O-])c1)NCC[N@@H+]1CCc2ccccc2C1 ZINC000154254108 508746365 /nfs/dbraw/zinc/74/63/65/508746365.db2.gz LWDGOWXJDZAJPE-UHFFFAOYSA-N 1 0 353.422 2.702 20 5 FFBDRO C[C@@H]1C[C@H](NC(=O)CNc2ccccc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000137432703 508756132 /nfs/dbraw/zinc/75/61/32/508756132.db2.gz YEOILEHXMYXTIN-WBVHZDCISA-N 1 0 368.437 2.786 20 5 FFBDRO C[C@@H]1C[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2Br)CC[N@@H+]1C ZINC000123977414 508766212 /nfs/dbraw/zinc/76/62/12/508766212.db2.gz GICDPHFVCUAYNX-GHMZBOCLSA-N 1 0 370.247 2.912 20 5 FFBDRO C[C@H]1C[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2Br)CC[N@@H+]1C ZINC000123977640 508766298 /nfs/dbraw/zinc/76/62/98/508766298.db2.gz GICDPHFVCUAYNX-WDEREUQCSA-N 1 0 370.247 2.912 20 5 FFBDRO C[NH+](C)[C@H](CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])c1ccccc1 ZINC000137967866 508767513 /nfs/dbraw/zinc/76/75/13/508767513.db2.gz MODAGAZJDLRLIV-QGZVFWFLSA-N 1 0 353.382 2.546 20 5 FFBDRO O=C(NCC[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1Br ZINC000159090263 508791660 /nfs/dbraw/zinc/79/16/60/508791660.db2.gz FLRLJQLSUPRYKQ-UHFFFAOYSA-N 1 0 356.220 2.573 20 5 FFBDRO O=[N+]([O-])c1cnn(CCN2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000159114190 508794640 /nfs/dbraw/zinc/79/46/40/508794640.db2.gz OWZLPPXFLVIDPU-QUCCMNQESA-N 1 0 369.469 2.778 20 5 FFBDRO C[NH+](C)Cc1ccc(CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)cc1F ZINC000154576825 508812794 /nfs/dbraw/zinc/81/27/94/508812794.db2.gz HOFOWYCVAFMESD-UHFFFAOYSA-N 1 0 371.372 2.602 20 5 FFBDRO COc1ccc(C[N@H+](C)C[C@H](C)O)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000130830614 508852612 /nfs/dbraw/zinc/85/26/12/508852612.db2.gz CZAUKWQUJQIOFO-AWEZNQCLSA-N 1 0 360.410 2.995 20 5 FFBDRO C[NH+](C)CCn1c2cc(NCc3cccc([N+](=O)[O-])c3)ccc2oc1=O ZINC000124617701 508859964 /nfs/dbraw/zinc/85/99/64/508859964.db2.gz AZGUQLFJHOZXPZ-UHFFFAOYSA-N 1 0 356.382 2.676 20 5 FFBDRO COc1ccccc1CC1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000159792455 508891921 /nfs/dbraw/zinc/89/19/21/508891921.db2.gz ZWODACWWZHOAJF-UHFFFAOYSA-N 1 0 371.437 2.720 20 5 FFBDRO COc1cc(C(=O)N2CC[NH+](CC3CCCCC3)CC2)ccc1[N+](=O)[O-] ZINC000154960968 508892385 /nfs/dbraw/zinc/89/23/85/508892385.db2.gz FHWMCDSGWGMMRJ-UHFFFAOYSA-N 1 0 361.442 2.942 20 5 FFBDRO Cc1ccc([C@H]2CSCC[N@@H+]2CCn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000159831117 508897970 /nfs/dbraw/zinc/89/79/70/508897970.db2.gz JSBPYIVAPSJATJ-QGZVFWFLSA-N 1 0 359.451 2.855 20 5 FFBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000119970919 508900443 /nfs/dbraw/zinc/90/04/43/508900443.db2.gz LAKNBZFUOFWMNE-KXBFYZLASA-N 1 0 353.422 2.774 20 5 FFBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000120257079 508959813 /nfs/dbraw/zinc/95/98/13/508959813.db2.gz AIOASBYMSMLWDM-HNNXBMFYSA-N 1 0 369.487 2.550 20 5 FFBDRO C[NH+](C)CCCNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000120290915 508965571 /nfs/dbraw/zinc/96/55/71/508965571.db2.gz PZQSTXCTAKYJCL-UHFFFAOYSA-N 1 0 356.426 2.888 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1cccnc1N1CCOCC1 ZINC000151248445 508986035 /nfs/dbraw/zinc/98/60/35/508986035.db2.gz YSTAFGQDBUFYEW-HNNXBMFYSA-N 1 0 356.426 2.986 20 5 FFBDRO C[N@H+](CCNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C1CCCCC1 ZINC000160655610 509015512 /nfs/dbraw/zinc/01/55/12/509015512.db2.gz LOXOQVDZBQMQJX-UHFFFAOYSA-N 1 0 358.442 2.999 20 5 FFBDRO CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000155573158 509029645 /nfs/dbraw/zinc/02/96/45/509029645.db2.gz PADGXTXDQNEGQA-LPHOPBHVSA-N 1 0 360.502 2.532 20 5 FFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000155577920 509030443 /nfs/dbraw/zinc/03/04/43/509030443.db2.gz QPEJZFLPTVZNDP-CQSZACIVSA-N 1 0 369.425 2.649 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1SC ZINC000120649419 509038230 /nfs/dbraw/zinc/03/82/30/509038230.db2.gz NZLISILUGQDXEJ-AAEUAGOBSA-N 1 0 367.471 2.738 20 5 FFBDRO C[NH+](C)CC(C)(C)CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000151630814 509056356 /nfs/dbraw/zinc/05/63/56/509056356.db2.gz DFMXYCFSUPCOSY-UHFFFAOYSA-N 1 0 372.263 2.604 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000120919170 509089172 /nfs/dbraw/zinc/08/91/72/509089172.db2.gz HBMUIVKYJVSING-UKRRQHHQSA-N 1 0 369.487 2.562 20 5 FFBDRO [NH3+]Cc1ccc(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000161976355 509167352 /nfs/dbraw/zinc/16/73/52/509167352.db2.gz JHGAWOLYNYLFKR-UHFFFAOYSA-N 1 0 355.394 2.737 20 5 FFBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N1CCC([NH+]2CCCCC2)CC1 ZINC000266778035 509188706 /nfs/dbraw/zinc/18/87/06/509188706.db2.gz KUXPYQMYUNRULX-UHFFFAOYSA-N 1 0 360.458 2.797 20 5 FFBDRO CC[N@H+](C)Cc1cccc(CNC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)c1 ZINC000263862105 509192814 /nfs/dbraw/zinc/19/28/14/509192814.db2.gz XVIYAJCOAMMYSN-UHFFFAOYSA-N 1 0 373.457 2.566 20 5 FFBDRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000247967433 509203666 /nfs/dbraw/zinc/20/36/66/509203666.db2.gz DXKWFRWNTVWYGX-HOCLYGCPSA-N 1 0 356.426 2.704 20 5 FFBDRO C[NH+](C)Cc1ccc(CNC(=O)CCNc2ccccc2[N+](=O)[O-])cc1 ZINC000248132792 509243187 /nfs/dbraw/zinc/24/31/87/509243187.db2.gz QUYHQTNJPLLOGH-UHFFFAOYSA-N 1 0 356.426 2.775 20 5 FFBDRO COCC[N@H+](C)CCCC1CCN(c2nccc(C)c2[N+](=O)[O-])CC1 ZINC000162559341 509251596 /nfs/dbraw/zinc/25/15/96/509251596.db2.gz FOUKABJVSPYYRG-UHFFFAOYSA-N 1 0 350.463 2.873 20 5 FFBDRO CCN(CCC[NH+](C)C)C(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000188911815 509321715 /nfs/dbraw/zinc/32/17/15/509321715.db2.gz CHOWHJREEZSQER-UHFFFAOYSA-N 1 0 355.460 2.739 20 5 FFBDRO CCN(CCC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000188924708 509326737 /nfs/dbraw/zinc/32/67/37/509326737.db2.gz DWUZBKYSOJRFMF-UHFFFAOYSA-N 1 0 352.391 2.534 20 5 FFBDRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cccc([N+](=O)[O-])c1Br ZINC000182658282 509354709 /nfs/dbraw/zinc/35/47/09/509354709.db2.gz AWTMCSFUBKLCAU-JTQLQIEISA-N 1 0 368.231 2.571 20 5 FFBDRO Cn1cc(C[N@@H+]2CCC[C@H](C3OCCO3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000179366122 509402908 /nfs/dbraw/zinc/40/29/08/509402908.db2.gz OIZSKBOMNKEJEB-HNNXBMFYSA-N 1 0 372.425 2.580 20 5 FFBDRO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccccc1[N+](=O)[O-] ZINC000192210641 509404522 /nfs/dbraw/zinc/40/45/22/509404522.db2.gz JORRAPXWWDNUIR-KRWDZBQOSA-N 1 0 369.421 2.616 20 5 FFBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000182749802 509408886 /nfs/dbraw/zinc/40/88/86/509408886.db2.gz KNBDQUFNLMDDDO-VMEIHUARSA-N 1 0 373.453 2.615 20 5 FFBDRO COc1ccc(CNC(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000264266498 509423737 /nfs/dbraw/zinc/42/37/37/509423737.db2.gz GFPLTOYMMXFMGG-OAHLLOKOSA-N 1 0 364.446 2.523 20 5 FFBDRO Cc1ccc(NC(=O)NCC2([NH+]3CCCC3)CCOCC2)cc1[N+](=O)[O-] ZINC000264296471 509440403 /nfs/dbraw/zinc/44/04/03/509440403.db2.gz UBGCJHSCJOCVLI-UHFFFAOYSA-N 1 0 362.430 2.670 20 5 FFBDRO CCOC(=O)c1ccnc(N[C@@H](C)C[NH+]2CCCCCC2)c1[N+](=O)[O-] ZINC000185963706 509452269 /nfs/dbraw/zinc/45/22/69/509452269.db2.gz NGSFUVNOUYLQOD-ZDUSSCGKSA-N 1 0 350.419 2.843 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N(C)C3CC[NH2+]CC3)cc2[N+](=O)[O-])CC1 ZINC000236667594 509476027 /nfs/dbraw/zinc/47/60/27/509476027.db2.gz FEKRBSPJRCFXLO-UHFFFAOYSA-N 1 0 360.458 2.655 20 5 FFBDRO C[NH+](C)CC1CCC(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000179501368 509482027 /nfs/dbraw/zinc/48/20/27/509482027.db2.gz ZIUINPWLTIKVKN-UHFFFAOYSA-N 1 0 358.442 2.855 20 5 FFBDRO CCC([NH3+])(CC)CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000236770184 509498835 /nfs/dbraw/zinc/49/88/35/509498835.db2.gz AZEXTLNYRWVGDG-UHFFFAOYSA-N 1 0 358.236 2.534 20 5 FFBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000248905164 509537469 /nfs/dbraw/zinc/53/74/69/509537469.db2.gz UULJPSMVWTWOMK-XJKSGUPXSA-N 1 0 355.394 2.551 20 5 FFBDRO CC(C)(C)OC1CC[NH+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000164906804 509543111 /nfs/dbraw/zinc/54/31/11/509543111.db2.gz JMHWERIYWHLBRY-HNNXBMFYSA-N 1 0 352.431 2.614 20 5 FFBDRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000173347742 509545914 /nfs/dbraw/zinc/54/59/14/509545914.db2.gz HSDQAUBINBJYDO-STQMWFEESA-N 1 0 363.439 2.915 20 5 FFBDRO COc1cc(C[NH2+]CC2(O)CCC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000237131276 509579372 /nfs/dbraw/zinc/57/93/72/509579372.db2.gz HAHOJIPFWUJMIV-UHFFFAOYSA-N 1 0 364.320 2.549 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1cccnc1N1CCOCC1)CCC2 ZINC000192652489 509584031 /nfs/dbraw/zinc/58/40/31/509584031.db2.gz ATYIKGJXPRUTPI-IBGZPJMESA-N 1 0 368.437 2.994 20 5 FFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000189461097 509585950 /nfs/dbraw/zinc/58/59/50/509585950.db2.gz RTXUSDFWMYFXEY-OAHLLOKOSA-N 1 0 365.474 2.659 20 5 FFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3cc(-c4ccco4)on3)C2)nc1 ZINC000173462548 509616457 /nfs/dbraw/zinc/61/64/57/509616457.db2.gz YTQRSLKXOGQPMP-GFCCVEGCSA-N 1 0 355.354 2.924 20 5 FFBDRO C[NH2+]CCN(C)C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(OC)cc1 ZINC000237331917 509625031 /nfs/dbraw/zinc/62/50/31/509625031.db2.gz QOWKLAZHFFTZBS-UHFFFAOYSA-N 1 0 359.382 2.687 20 5 FFBDRO Cc1c(NC(=O)[C@@H](C)N2CC[C@@H]([NH+]3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000264668565 509634248 /nfs/dbraw/zinc/63/42/48/509634248.db2.gz ZYKWQPOCLHPJMC-HZPDHXFCSA-N 1 0 360.458 2.790 20 5 FFBDRO CC(C)C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000186305238 509634399 /nfs/dbraw/zinc/63/43/99/509634399.db2.gz AZVFUDNDGRVGHU-AEFFLSMTSA-N 1 0 361.442 2.667 20 5 FFBDRO Cc1c(NC(=O)[C@@H](C)N2CC[C@H]([NH+]3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000264668563 509634699 /nfs/dbraw/zinc/63/46/99/509634699.db2.gz ZYKWQPOCLHPJMC-CVEARBPZSA-N 1 0 360.458 2.790 20 5 FFBDRO COc1cccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000192808004 509652722 /nfs/dbraw/zinc/65/27/22/509652722.db2.gz SIRDNWQOYDLZJU-XJKSGUPXSA-N 1 0 359.426 2.692 20 5 FFBDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000237516947 509666937 /nfs/dbraw/zinc/66/69/37/509666937.db2.gz CLJDNPILORZCIR-JKSUJKDBSA-N 1 0 363.461 2.741 20 5 FFBDRO CCCS(=O)(=O)N1CCC([NH2+][C@H](CC)c2cccc([N+](=O)[O-])c2)CC1 ZINC000192843679 509669741 /nfs/dbraw/zinc/66/97/41/509669741.db2.gz DTOWXVKGMWNNCD-QGZVFWFLSA-N 1 0 369.487 2.840 20 5 FFBDRO CC(C)C[C@@H]1OCCC[C@H]1[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000249454239 509684147 /nfs/dbraw/zinc/68/41/47/509684147.db2.gz PEMLGSRFTKBDEB-NXHRZFHOSA-N 1 0 352.431 2.518 20 5 FFBDRO C[C@H]1C[C@H](C)CN(c2ccc(C(=O)NCC3=CC[NH2+]CC3)cc2[N+](=O)[O-])C1 ZINC000186397321 509688559 /nfs/dbraw/zinc/68/85/59/509688559.db2.gz PEIGKMZFIRRFHY-GJZGRUSLSA-N 1 0 372.469 2.727 20 5 FFBDRO CCc1n[nH]c(C(=O)N(CC)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000192898098 509689640 /nfs/dbraw/zinc/68/96/40/509689640.db2.gz WMXZOFLXGNHBIV-OAHLLOKOSA-N 1 0 371.441 2.617 20 5 FFBDRO CCc1n[nH]c(C(=O)N[C@H](C[N@H+](C)Cc2ccccc2)C(C)C)c1[N+](=O)[O-] ZINC000192904245 509693331 /nfs/dbraw/zinc/69/33/31/509693331.db2.gz ZIWXUWKQTWAGNV-MRXNPFEDSA-N 1 0 373.457 2.767 20 5 FFBDRO C[C@H]1CCCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1C[NH3+] ZINC000237689816 509711647 /nfs/dbraw/zinc/71/16/47/509711647.db2.gz JKLNSCLVTNNYLR-SMDDNHRTSA-N 1 0 355.822 2.603 20 5 FFBDRO O=C1[C@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCN1CC(F)(F)F ZINC000192990623 509728300 /nfs/dbraw/zinc/72/83/00/509728300.db2.gz SSFZYSHVYCAKOV-UONOGXRCSA-N 1 0 357.332 2.725 20 5 FFBDRO NC(=O)C1(C[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000180100501 509750471 /nfs/dbraw/zinc/75/04/71/509750471.db2.gz OTVNWJMMTIWLDQ-SFHVURJKSA-N 1 0 369.421 2.556 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H](Cc2ccccc2)C2CC2)cc1 ZINC000183399487 509764668 /nfs/dbraw/zinc/76/46/68/509764668.db2.gz JRYHGUDPAQKLJC-IBGZPJMESA-N 1 0 374.462 2.979 20 5 FFBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000176917478 509765006 /nfs/dbraw/zinc/76/50/06/509765006.db2.gz PWHUEXVHJJIGDD-CQSZACIVSA-N 1 0 365.455 2.896 20 5 FFBDRO C[NH+](C)C[C@H]1CCCN1C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000268125350 509769734 /nfs/dbraw/zinc/76/97/34/509769734.db2.gz LLPBVMLJBBAXHY-CQSZACIVSA-N 1 0 360.439 2.885 20 5 FFBDRO O=C(NC1CC[NH+](C2CC2)CC1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000180134856 509770563 /nfs/dbraw/zinc/77/05/63/509770563.db2.gz MCFQQSSLBWARDR-UHFFFAOYSA-N 1 0 355.341 2.553 20 5 FFBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N(Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000186564280 509774065 /nfs/dbraw/zinc/77/40/65/509774065.db2.gz KITVSBCGZTXTAW-SFHVURJKSA-N 1 0 368.437 2.703 20 5 FFBDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000268193729 509805965 /nfs/dbraw/zinc/80/59/65/509805965.db2.gz XDHNLIMSHVXKGF-LBPRGKRZSA-N 1 0 354.838 2.731 20 5 FFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000193192711 509813702 /nfs/dbraw/zinc/81/37/02/509813702.db2.gz ZJZRURCQKFQNNA-UHFFFAOYSA-N 1 0 368.437 2.735 20 5 FFBDRO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)Nc1ccncc1[N+](=O)[O-] ZINC000183546703 509854129 /nfs/dbraw/zinc/85/41/29/509854129.db2.gz JYVAIQIEQJXDAI-INIZCTEOSA-N 1 0 355.398 2.948 20 5 FFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000173920655 509855049 /nfs/dbraw/zinc/85/50/49/509855049.db2.gz FDTFOEZBKGNGOD-UHFFFAOYSA-N 1 0 374.445 2.795 20 5 FFBDRO Cc1c(Br)cc(C(=O)N(C)CC[N@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000186748222 509885677 /nfs/dbraw/zinc/88/56/77/509885677.db2.gz BJSIMPSYKXEUIX-UHFFFAOYSA-N 1 0 370.247 2.832 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)[C@@H](C)C1 ZINC000253544380 509891286 /nfs/dbraw/zinc/89/12/86/509891286.db2.gz IXYKFMQSHJIWOB-SJCJKPOMSA-N 1 0 372.425 2.651 20 5 FFBDRO COc1ccccc1CCNC(=O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180443229 509927497 /nfs/dbraw/zinc/92/74/97/509927497.db2.gz QCJKQOXYWHDQLD-AWEZNQCLSA-N 1 0 357.410 2.613 20 5 FFBDRO C[C@H]1C[C@@H](NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000177195634 509931102 /nfs/dbraw/zinc/93/11/02/509931102.db2.gz FYYSZQRVIJMAAW-WCQYABFASA-N 1 0 367.833 2.759 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@@H](C)C1 ZINC000245437696 509933935 /nfs/dbraw/zinc/93/39/35/509933935.db2.gz RRAUKAZGKSQIFP-BBRMVZONSA-N 1 0 359.430 2.807 20 5 FFBDRO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN([C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)CC2 ZINC000245483681 509961232 /nfs/dbraw/zinc/96/12/32/509961232.db2.gz FYNMVUBPWWHCEZ-KYJSFNMBSA-N 1 0 360.458 2.869 20 5 FFBDRO COCCC[NH+]1CCC(NC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000171149449 509971374 /nfs/dbraw/zinc/97/13/74/509971374.db2.gz WWHPNGSZCSDRSP-UHFFFAOYSA-N 1 0 350.419 2.526 20 5 FFBDRO C[N@H+](CCNC(=O)NCCc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000171167828 509982524 /nfs/dbraw/zinc/98/25/24/509982524.db2.gz ZPWBWXZIHOGBDP-UHFFFAOYSA-N 1 0 356.426 2.569 20 5 FFBDRO Nc1cccc([N+](=O)[O-])c1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000180587079 510000460 /nfs/dbraw/zinc/00/04/60/510000460.db2.gz MAKRGIMLRAPWDK-UHFFFAOYSA-N 1 0 354.410 2.571 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[NH2+]C[C@@H]1c1cccc(F)c1 ZINC000261704138 510034545 /nfs/dbraw/zinc/03/45/45/510034545.db2.gz JZGZPEGRSLDAQU-QGZVFWFLSA-N 1 0 372.400 2.627 20 5 FFBDRO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC2(CC[NH2+]C2)CC1 ZINC000261719710 510039916 /nfs/dbraw/zinc/03/99/16/510039916.db2.gz GTLQHBQXECSALB-UHFFFAOYSA-N 1 0 368.231 2.573 20 5 FFBDRO O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000193833450 510091235 /nfs/dbraw/zinc/09/12/35/510091235.db2.gz OILKDZZDXHDXFB-GOSISDBHSA-N 1 0 353.422 2.776 20 5 FFBDRO C[C@H](CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[N@@H+]1CCC[C@H](C)C1 ZINC000245696779 510092669 /nfs/dbraw/zinc/09/26/69/510092669.db2.gz YIGWJUILVHYUKZ-UONOGXRCSA-N 1 0 358.442 2.855 20 5 FFBDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000261902241 510108058 /nfs/dbraw/zinc/10/80/58/510108058.db2.gz WVVAGJCSKMYCDJ-QKPAOTATSA-N 1 0 374.485 2.886 20 5 FFBDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000180830121 510134048 /nfs/dbraw/zinc/13/40/48/510134048.db2.gz FPHSIGFOUWABNC-MRXNPFEDSA-N 1 0 368.437 2.771 20 5 FFBDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000261993304 510141776 /nfs/dbraw/zinc/14/17/76/510141776.db2.gz PDDOOORLVJNXGE-WDEREUQCSA-N 1 0 374.363 2.611 20 5 FFBDRO Cc1nc(C(C)C)sc1[C@H](C)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000245779942 510142751 /nfs/dbraw/zinc/14/27/51/510142751.db2.gz ZWGOUKXEPLBBLX-GXTWGEPZSA-N 1 0 367.475 2.734 20 5 FFBDRO Cn1ccnc1[C@@H]1C[NH2+]CCN1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000262048390 510160042 /nfs/dbraw/zinc/16/00/42/510160042.db2.gz QARSCROFEWSRDK-KRWDZBQOSA-N 1 0 367.409 2.735 20 5 FFBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)C1 ZINC000174526083 510160947 /nfs/dbraw/zinc/16/09/47/510160947.db2.gz ICNIFBROMZCDNS-KGLIPLIRSA-N 1 0 351.472 2.876 20 5 FFBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C1 ZINC000174526468 510161335 /nfs/dbraw/zinc/16/13/35/510161335.db2.gz ZDAKECIMNFYJNO-MRXNPFEDSA-N 1 0 374.485 2.999 20 5 FFBDRO COc1cc(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cc([N+](=O)[O-])c1C ZINC000190494631 510165219 /nfs/dbraw/zinc/16/52/19/510165219.db2.gz VZUKRFSTTSPNRV-KRWDZBQOSA-N 1 0 357.410 2.945 20 5 FFBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)c1nc(-c2ccc(C[NH3+])cc2)no1 ZINC000262067433 510167012 /nfs/dbraw/zinc/16/70/12/510167012.db2.gz RTNDUUSEPVUCBQ-ZDUSSCGKSA-N 1 0 371.401 2.709 20 5 FFBDRO CCc1ccc([C@H]2C[NH2+]CCN2C(=O)c2ccc([N+](=O)[O-])c(OC)c2)cc1 ZINC000262073577 510168940 /nfs/dbraw/zinc/16/89/40/510168940.db2.gz XADXRNRUDSVJAI-GOSISDBHSA-N 1 0 369.421 2.953 20 5 FFBDRO Cc1ccccc1C[NH+]1CCC(NC(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000180940396 510195485 /nfs/dbraw/zinc/19/54/85/510195485.db2.gz RNPFNEQOGNHDNE-UHFFFAOYSA-N 1 0 368.437 2.880 20 5 FFBDRO O=[N+]([O-])c1ccc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c([N+](=O)[O-])c1 ZINC000194078930 510204728 /nfs/dbraw/zinc/20/47/28/510204728.db2.gz SNHQXWXIHBPPGF-DYVFJYSZSA-N 1 0 360.414 2.952 20 5 FFBDRO CC(C)c1ccc(C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C2CC2)cc1 ZINC000174692786 510253168 /nfs/dbraw/zinc/25/31/68/510253168.db2.gz JJEVMAIOYXHNMD-LJQANCHMSA-N 1 0 358.442 2.940 20 5 FFBDRO COc1ccc2oc([C@H](C)[NH2+]C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)c(C)c2c1 ZINC000184321282 510261165 /nfs/dbraw/zinc/26/11/65/510261165.db2.gz MDVIGQAYQUULTP-GXTWGEPZSA-N 1 0 374.397 2.566 20 5 FFBDRO C[C@@H](NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CCC[NH2+]C1 ZINC000269167489 510268478 /nfs/dbraw/zinc/26/84/78/510268478.db2.gz DHPGWWXRJYBBGE-DGCLKSJQSA-N 1 0 360.439 2.836 20 5 FFBDRO C[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(C(F)(F)F)cc1 ZINC000174724108 510271267 /nfs/dbraw/zinc/27/12/67/510271267.db2.gz NGXRBFMVAKTIAG-YGRLFVJLSA-N 1 0 358.320 2.522 20 5 FFBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000269187969 510279989 /nfs/dbraw/zinc/27/99/89/510279989.db2.gz HTEBNGKIKPJUKZ-CVEARBPZSA-N 1 0 372.469 2.798 20 5 FFBDRO CCCN(C(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000262578417 510323323 /nfs/dbraw/zinc/32/33/23/510323323.db2.gz KTLFUEZLQIWGMY-DGCLKSJQSA-N 1 0 355.822 2.616 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000262616790 510337236 /nfs/dbraw/zinc/33/72/36/510337236.db2.gz HENLTFRYWOKOPS-GVXVVHGQSA-N 1 0 355.822 2.649 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)[C@@H](C)C1 ZINC000266007674 510356129 /nfs/dbraw/zinc/35/61/29/510356129.db2.gz RPEBHYPAAMJZLQ-YOEHRIQHSA-N 1 0 358.442 2.738 20 5 FFBDRO CC(=O)c1ccc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)c([N+](=O)[O-])c1 ZINC000269360375 510360298 /nfs/dbraw/zinc/36/02/98/510360298.db2.gz VKJLVLSAXGFSIX-UHFFFAOYSA-N 1 0 374.485 2.792 20 5 FFBDRO CC(C)c1n[nH]c(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c1[N+](=O)[O-] ZINC000269375777 510370567 /nfs/dbraw/zinc/37/05/67/510370567.db2.gz NLZFTVARADYRPN-UHFFFAOYSA-N 1 0 371.441 2.967 20 5 FFBDRO C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)c3cc(F)ccc3[N+](=O)[O-])nc2)C1 ZINC000269408201 510389395 /nfs/dbraw/zinc/38/93/95/510389395.db2.gz GOQCBRADDJZKBC-AWEZNQCLSA-N 1 0 373.388 2.522 20 5 FFBDRO C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)c3ccc(F)cc3[N+](=O)[O-])nc2)C1 ZINC000269406620 510389449 /nfs/dbraw/zinc/38/94/49/510389449.db2.gz FVKVBVGTUAYICL-CQSZACIVSA-N 1 0 373.388 2.522 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N3CC[NH2+][C@@H](C)[C@@H]3C)cc2[N+](=O)[O-])CC1 ZINC000262745393 510393160 /nfs/dbraw/zinc/39/31/60/510393160.db2.gz JLCAYXJMTURZAP-GJZGRUSLSA-N 1 0 360.458 2.654 20 5 FFBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CC[NH2+][C@H](C)[C@@H]3C)cc2[N+](=O)[O-])C1 ZINC000262743769 510393408 /nfs/dbraw/zinc/39/34/08/510393408.db2.gz FIBCMFOBMCYIRF-QXSJWSMHSA-N 1 0 374.485 2.900 20 5 FFBDRO COc1cc(C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)cc([N+](=O)[O-])c1OC ZINC000266087569 510401560 /nfs/dbraw/zinc/40/15/60/510401560.db2.gz PIHKQAZBXSLQME-ZDUSSCGKSA-N 1 0 365.430 2.606 20 5 FFBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000269496542 510435801 /nfs/dbraw/zinc/43/58/01/510435801.db2.gz KISFEUAFEIVELK-WMZOPIPTSA-N 1 0 372.469 2.796 20 5 FFBDRO CCOC(=O)c1ccnc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000246371092 510451965 /nfs/dbraw/zinc/45/19/65/510451965.db2.gz NZZAUIHXTMPWOB-BBRMVZONSA-N 1 0 374.441 2.620 20 5 FFBDRO CCc1ccc([C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2N)[NH+](C)C)cc1 ZINC000178151023 510460515 /nfs/dbraw/zinc/46/05/15/510460515.db2.gz RMRWNARAEOSKKJ-QGZVFWFLSA-N 1 0 356.426 2.772 20 5 FFBDRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2cccc(O)c2)c([N+](=O)[O-])c1 ZINC000181546202 510466201 /nfs/dbraw/zinc/46/62/01/510466201.db2.gz LCSHDGXLZCJRLR-VXGBXAGGSA-N 1 0 359.382 2.987 20 5 FFBDRO Cc1c(NC(=O)CC[N@@H+](C)[C@H](CO)c2ccccc2)cccc1[N+](=O)[O-] ZINC000269614237 510484698 /nfs/dbraw/zinc/48/46/98/510484698.db2.gz SDQYSDIPMGLKSV-GOSISDBHSA-N 1 0 357.410 2.897 20 5 FFBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1C[C@H]2CCC[C@@H](C1)C2O ZINC000172043609 510514262 /nfs/dbraw/zinc/51/42/62/510514262.db2.gz DODJAQDOKQXHKZ-CLJRNHLWSA-N 1 0 358.398 2.799 20 5 FFBDRO COc1ccc(C[N@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])cc1C ZINC000181746112 510571492 /nfs/dbraw/zinc/57/14/92/510571492.db2.gz JXVVNJZWVUODJO-INIZCTEOSA-N 1 0 360.410 2.784 20 5 FFBDRO COc1ccc(OCCN2CC[N@H+](C)CC23CCCCC3)c([N+](=O)[O-])c1 ZINC000178401299 510584569 /nfs/dbraw/zinc/58/45/69/510584569.db2.gz IXZDOPVMNGYALI-UHFFFAOYSA-N 1 0 363.458 2.933 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000191337221 510611804 /nfs/dbraw/zinc/61/18/04/510611804.db2.gz DLEYWDZUBHWPCA-CQSZACIVSA-N 1 0 364.446 2.521 20 5 FFBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)NC(=O)Nc2ccccc2)cc1[N+](=O)[O-] ZINC000181838760 510619175 /nfs/dbraw/zinc/61/91/75/510619175.db2.gz ABWHYBIVGXUGHT-ZDUSSCGKSA-N 1 0 356.382 2.902 20 5 FFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(CNC(=O)c2cnn(C)c2)CC1 ZINC000266547880 510651448 /nfs/dbraw/zinc/65/14/48/510651448.db2.gz SMBAYXNLDXFYRL-CQSZACIVSA-N 1 0 371.441 2.531 20 5 FFBDRO C[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266549321 510652687 /nfs/dbraw/zinc/65/26/87/510652687.db2.gz SVIGGZLYSGGMNA-NHYWBVRUSA-N 1 0 372.347 2.864 20 5 FFBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C[C@@H]1COc2ccccc2O1 ZINC000175485906 510661206 /nfs/dbraw/zinc/66/12/06/510661206.db2.gz VHTOIXULWLCRBU-CQSZACIVSA-N 1 0 371.393 2.695 20 5 FFBDRO COc1cc(C(=O)N(CC[NH+](C)C)Cc2ccccn2)cc([N+](=O)[O-])c1C ZINC000191443925 510663671 /nfs/dbraw/zinc/66/36/71/510663671.db2.gz VBGCLALFPJWFKX-UHFFFAOYSA-N 1 0 372.425 2.511 20 5 FFBDRO C[N@H+](CCNC(=O)NCc1ccccc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000175583653 510684717 /nfs/dbraw/zinc/68/47/17/510684717.db2.gz HSCBFSWPYLLWNJ-UHFFFAOYSA-N 1 0 360.389 2.665 20 5 FFBDRO CCCn1ccnc1CCC[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000191510492 510696741 /nfs/dbraw/zinc/69/67/41/510696741.db2.gz QUXAEDJIEZEFLV-UHFFFAOYSA-N 1 0 359.430 2.704 20 5 FFBDRO C[NH+]1CCC([C@H]2CCN(c3ccc(C(=O)NC4CC4)cc3[N+](=O)[O-])C2)CC1 ZINC000270168634 510700562 /nfs/dbraw/zinc/70/05/62/510700562.db2.gz KSZARIDKZSDBJM-INIZCTEOSA-N 1 0 372.469 2.655 20 5 FFBDRO Cc1ccc(S(=O)(=O)NCC[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000178642121 510701094 /nfs/dbraw/zinc/70/10/94/510701094.db2.gz FGJBDCZMZPSJSM-CQSZACIVSA-N 1 0 363.439 2.532 20 5 FFBDRO C[C@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000178645646 510702993 /nfs/dbraw/zinc/70/29/93/510702993.db2.gz KRPCEEMYBNSTSG-ZDUSSCGKSA-N 1 0 363.439 2.696 20 5 FFBDRO Cc1csc(Sc2ccc(C(=O)NCC[C@H](C)[NH3+])cc2[N+](=O)[O-])n1 ZINC000178650572 510704137 /nfs/dbraw/zinc/70/41/37/510704137.db2.gz MAEWRYQFDQXCFO-VIFPVBQESA-N 1 0 366.468 2.978 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000175651846 510713704 /nfs/dbraw/zinc/71/37/04/510713704.db2.gz JXLOXDOIBGTPLU-UHFFFAOYSA-N 1 0 363.439 2.869 20 5 FFBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000266717333 510747622 /nfs/dbraw/zinc/74/76/22/510747622.db2.gz ALRBFLCYLHAXQL-KRWDZBQOSA-N 1 0 360.458 2.797 20 5 FFBDRO Cc1nc2ccccc2n1C[C@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000270346377 510770540 /nfs/dbraw/zinc/77/05/40/510770540.db2.gz OUDFUWBUHRXVJA-OAHLLOKOSA-N 1 0 354.414 2.614 20 5 FFBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2cc(C)cc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000246965646 510772952 /nfs/dbraw/zinc/77/29/52/510772952.db2.gz YYJPGCHXYXKSNE-YJBOKZPZSA-N 1 0 363.458 2.770 20 5 FFBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@H](C2OCCO2)C1 ZINC000263680956 510785908 /nfs/dbraw/zinc/78/59/08/510785908.db2.gz OTPIWDCVCMXZKF-JSGCOSHPSA-N 1 0 374.397 2.791 20 5 FFBDRO C[C@@H]([NH3+])C1CCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000178835072 510795961 /nfs/dbraw/zinc/79/59/61/510795961.db2.gz XBTROTPJNAUEFL-LLVKDONJSA-N 1 0 355.822 2.603 20 5 FFBDRO C[C@H]([NH3+])C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000178836382 510797742 /nfs/dbraw/zinc/79/77/42/510797742.db2.gz JCJYZPMKPWNYSY-VIFPVBQESA-N 1 0 356.220 2.557 20 5 FFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000172583102 510804012 /nfs/dbraw/zinc/80/40/12/510804012.db2.gz NQIBBQVDGCGJLY-OAHLLOKOSA-N 1 0 360.458 2.872 20 5 FFBDRO O=[N+]([O-])c1ccccc1N1CC[NH+](C[C@H](O)CCc2ccccc2)CC1 ZINC000182228960 510824313 /nfs/dbraw/zinc/82/43/13/510824313.db2.gz VVWHGRLDRUYHBL-GOSISDBHSA-N 1 0 355.438 2.711 20 5 FFBDRO Cc1n[nH]c(C(=O)NCc2cccc(C[NH+]3CCC(C)CC3)c2)c1[N+](=O)[O-] ZINC000263774787 510836273 /nfs/dbraw/zinc/83/62/73/510836273.db2.gz UEUXXKKXWZVWPN-UHFFFAOYSA-N 1 0 371.441 2.788 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H](c2ccnn2C)C1 ZINC000360306182 510894390 /nfs/dbraw/zinc/89/43/90/510894390.db2.gz SJSGKBYXROOYNU-HNNXBMFYSA-N 1 0 371.441 2.845 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC=C(c2ccnn2C)CC1 ZINC000285485515 510925933 /nfs/dbraw/zinc/92/59/33/510925933.db2.gz DDACFNPYPJUHIE-UHFFFAOYSA-N 1 0 369.425 2.755 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N(C)CCC[N@H+](C)Cc1ccco1 ZINC000285618101 510980402 /nfs/dbraw/zinc/98/04/02/510980402.db2.gz AJZZHNIMQUUOJK-UHFFFAOYSA-N 1 0 361.398 2.791 20 5 FFBDRO C[N@@H+]1CC[C@@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(F)cc1 ZINC000361204182 511012933 /nfs/dbraw/zinc/01/29/33/511012933.db2.gz NCJBCYLTIILBQF-IEBWSBKVSA-N 1 0 357.385 2.838 20 5 FFBDRO CCOc1cc(C[N@@H+]2CCC[C@H](CN3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000282583712 511034629 /nfs/dbraw/zinc/03/46/29/511034629.db2.gz WFSYNLNBYUEIDV-QGZVFWFLSA-N 1 0 363.458 2.538 20 5 FFBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000282659659 511064657 /nfs/dbraw/zinc/06/46/57/511064657.db2.gz GFTHNEYVJFMFCM-QGZVFWFLSA-N 1 0 362.474 2.757 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)[C@H](C)C1 ZINC000279388514 511065320 /nfs/dbraw/zinc/06/53/20/511065320.db2.gz IOUVZFKQKOMXMU-IUODEOHRSA-N 1 0 366.437 2.602 20 5 FFBDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000294567320 511106456 /nfs/dbraw/zinc/10/64/56/511106456.db2.gz JUDOKKZJVRGMKL-KRWDZBQOSA-N 1 0 362.474 2.730 20 5 FFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000289977369 511124797 /nfs/dbraw/zinc/12/47/97/511124797.db2.gz ZLYJMHXQUCKMMP-INIZCTEOSA-N 1 0 364.446 2.516 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H]1CCC2(CCOCC2)[C@H]1O ZINC000282887913 511149079 /nfs/dbraw/zinc/14/90/79/511149079.db2.gz SMSHSCMTGMQRHH-KDOFPFPSSA-N 1 0 364.442 2.651 20 5 FFBDRO C[C@H]1CN(c2ncc([N+](=O)[O-])cc2Br)CCN(C2CC2)C1 ZINC000294856976 511200314 /nfs/dbraw/zinc/20/03/14/511200314.db2.gz CSIHHYDGWQOCQL-SNVBAGLBSA-N 1 0 355.236 2.673 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCN3CCC(O)CC3)s2)cc1 ZINC000294872259 511205787 /nfs/dbraw/zinc/20/57/87/511205787.db2.gz PIVOIPAILYTZMR-UHFFFAOYSA-N 1 0 361.467 2.870 20 5 FFBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000362792369 511239458 /nfs/dbraw/zinc/23/94/58/511239458.db2.gz QNBOJHFHBDTJGW-RDJZCZTQSA-N 1 0 358.442 2.896 20 5 FFBDRO Cc1nc(N2CCC[C@@H]([N@H+](C)Cc3ccccn3)CC2)ncc1[N+](=O)[O-] ZINC000295044421 511262406 /nfs/dbraw/zinc/26/24/06/511262406.db2.gz OBUNIEMBBZLDLK-MRXNPFEDSA-N 1 0 356.430 2.579 20 5 FFBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)CC1 ZINC000295071891 511271784 /nfs/dbraw/zinc/27/17/84/511271784.db2.gz DAMFXRHUEIADLW-CQSZACIVSA-N 1 0 357.414 2.541 20 5 FFBDRO CC[NH+]1CCC(CCNC(=O)c2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC000295110465 511286114 /nfs/dbraw/zinc/28/61/14/511286114.db2.gz YGKMMOGAFYTZGP-UHFFFAOYSA-N 1 0 353.394 2.594 20 5 FFBDRO CCOc1cc(C[N@@H+]2CC[C@H]3[C@H](CCC(=O)N3C3CC3)C2)ccc1[N+](=O)[O-] ZINC000365188057 511306029 /nfs/dbraw/zinc/30/60/29/511306029.db2.gz AOCIXCQLRWCVAW-WBVHZDCISA-N 1 0 373.453 2.969 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CC[C@H](n4cccn4)C3)o2)c1 ZINC000291741897 511317795 /nfs/dbraw/zinc/31/77/95/511317795.db2.gz KBNQVWDBCCKHDQ-INIZCTEOSA-N 1 0 353.382 2.936 20 5 FFBDRO COc1cccc(COC[C@H](O)C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000271813124 511333692 /nfs/dbraw/zinc/33/36/92/511333692.db2.gz YQSNUYSNSPDLCR-GOEBONIOSA-N 1 0 360.410 2.832 20 5 FFBDRO C[C@@H](CCC[NH3+])NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000295267598 511343723 /nfs/dbraw/zinc/34/37/23/511343723.db2.gz RRWICHOKUVUDCS-JTQLQIEISA-N 1 0 362.352 2.659 20 5 FFBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000295278613 511346223 /nfs/dbraw/zinc/34/62/23/511346223.db2.gz IIMVVQJILXNPBF-CJNGLKHVSA-N 1 0 369.425 2.684 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC=C(c3cccc(Cl)c3)CC2)c1 ZINC000280330585 511422874 /nfs/dbraw/zinc/42/28/74/511422874.db2.gz ZNLMAHMQGSVPDQ-KRWDZBQOSA-N 1 0 362.817 2.595 20 5 FFBDRO CC(C)(C[C@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1)C(N)=O ZINC000295605530 511458937 /nfs/dbraw/zinc/45/89/37/511458937.db2.gz NLFWQTDOZDTUAR-GFCCVEGCSA-N 1 0 360.414 2.850 20 5 FFBDRO O=C(CN1CCOC[C@H](C2CCC2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000292193495 511500118 /nfs/dbraw/zinc/50/01/18/511500118.db2.gz RNUMIKNJESRSQF-CYBMUJFWSA-N 1 0 367.833 2.935 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])c(N2CC[C@]3(CC[N@H+](C)C3)C2)cc1Cl ZINC000292209109 511506342 /nfs/dbraw/zinc/50/63/42/511506342.db2.gz HERMXQVOUBPJDV-INIZCTEOSA-N 1 0 353.806 2.567 20 5 FFBDRO Cc1cc(N2CC[C@]3(CC[N@@H+](C)C3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000292225687 511512902 /nfs/dbraw/zinc/51/29/02/511512902.db2.gz IMSIZWPVKTUNHC-IBGZPJMESA-N 1 0 353.426 2.892 20 5 FFBDRO C[NH+](C)C1CCN(c2ccc(Nc3ncc([N+](=O)[O-])cn3)cc2F)CC1 ZINC000273556892 511533128 /nfs/dbraw/zinc/53/31/28/511533128.db2.gz BCQUSPGEYQVASG-UHFFFAOYSA-N 1 0 360.393 2.798 20 5 FFBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000292300139 511543376 /nfs/dbraw/zinc/54/33/76/511543376.db2.gz MRZLQBOALJXTLI-GJZGRUSLSA-N 1 0 360.458 2.728 20 5 FFBDRO O=[N+]([O-])c1cnc(N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)nc1 ZINC000274044777 511702938 /nfs/dbraw/zinc/70/29/38/511702938.db2.gz YDLIHYLRKMPFIM-AEFFLSMTSA-N 1 0 353.426 2.876 20 5 FFBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](CO)C[C@H](O)C(C)(C)C)cc1[N+](=O)[O-] ZINC000284454135 511729009 /nfs/dbraw/zinc/72/90/09/511729009.db2.gz SRTPNSVCLBPFSL-QEORTHHSSA-N 1 0 354.447 2.802 20 5 FFBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C1 ZINC000296450736 511748541 /nfs/dbraw/zinc/74/85/41/511748541.db2.gz IQIPVKGUXWYONM-KDOFPFPSSA-N 1 0 369.425 2.541 20 5 FFBDRO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000296454813 511748982 /nfs/dbraw/zinc/74/89/82/511748982.db2.gz XEHXFRIQFINIDC-NDMCHQMPSA-N 1 0 367.833 2.978 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000296479896 511759526 /nfs/dbraw/zinc/75/95/26/511759526.db2.gz YGRYLAVLGPEAQT-OLMNPRSZSA-N 1 0 359.426 2.779 20 5 FFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000363778445 511763050 /nfs/dbraw/zinc/76/30/50/511763050.db2.gz MYXAMROOEGVPDG-ZBFHGGJFSA-N 1 0 354.410 2.881 20 5 FFBDRO CNc1c(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000312028943 511782799 /nfs/dbraw/zinc/78/27/99/511782799.db2.gz YJELIIFHCHARRM-OAHLLOKOSA-N 1 0 354.410 2.641 20 5 FFBDRO CC(C)c1ccc(C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cc1[N+](=O)[O-] ZINC000363898279 511837401 /nfs/dbraw/zinc/83/74/01/511837401.db2.gz ANJXSCBOKIDNEU-QGZVFWFLSA-N 1 0 374.485 2.570 20 5 FFBDRO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC000296718751 511867746 /nfs/dbraw/zinc/86/77/46/511867746.db2.gz MUFVOGTUQTVFKN-SWLSCSKDSA-N 1 0 361.354 2.594 20 5 FFBDRO COc1ccccc1CN(C)C(=O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296761016 511886649 /nfs/dbraw/zinc/88/66/49/511886649.db2.gz QNKNRZOSHVRDFB-AWEZNQCLSA-N 1 0 357.410 2.913 20 5 FFBDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000366199406 511896326 /nfs/dbraw/zinc/89/63/26/511896326.db2.gz GPNDTAQHYHAUQV-CQSZACIVSA-N 1 0 354.410 2.945 20 5 FFBDRO C[C@@H]([NH2+]C[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284885118 511912631 /nfs/dbraw/zinc/91/26/31/511912631.db2.gz BOCSVYCNBOODTQ-ZBFHGGJFSA-N 1 0 368.437 2.876 20 5 FFBDRO COCCC[NH+]1CCC(NC(=O)Nc2cc([N+](=O)[O-])c(C)cc2F)CC1 ZINC000296884870 511936349 /nfs/dbraw/zinc/93/63/49/511936349.db2.gz WUEYPHXSNFCRND-UHFFFAOYSA-N 1 0 368.409 2.665 20 5 FFBDRO CS(=O)(=O)CCCCC[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000274786787 511942887 /nfs/dbraw/zinc/94/28/87/511942887.db2.gz XAIFFXSKJBKAOR-UHFFFAOYSA-N 1 0 366.386 2.501 20 5 FFBDRO C[C@H](NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285084391 511994301 /nfs/dbraw/zinc/99/43/01/511994301.db2.gz JSLALKCJHCMMPG-IRWQIABSSA-N 1 0 362.474 2.596 20 5 FFBDRO C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)C1=CC[N@H+](C)CC1 ZINC000293532076 511999640 /nfs/dbraw/zinc/99/96/40/511999640.db2.gz RIKNHXCJEZNVPA-JTQLQIEISA-N 1 0 357.332 2.994 20 5 FFBDRO CCC(=O)c1ccc(N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000366430488 512020017 /nfs/dbraw/zinc/02/00/17/512020017.db2.gz NMSOXBARGMXMJL-DOTOQJQBSA-N 1 0 374.485 2.650 20 5 FFBDRO COc1ccccc1COC[C@@H](O)C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285155763 512020304 /nfs/dbraw/zinc/02/03/04/512020304.db2.gz AETMCWGNSXKFTJ-SFHVURJKSA-N 1 0 374.437 2.655 20 5 FFBDRO CC(C)[NH+]1CCN([C@@H]2CCN(c3nc4ccccc4cc3[N+](=O)[O-])C2)CC1 ZINC000364315672 512082865 /nfs/dbraw/zinc/08/28/65/512082865.db2.gz KCMIIVGNSBPJKZ-QGZVFWFLSA-N 1 0 369.469 2.748 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)NC(C)(C)C[NH+]2CCCC2)cc1SC ZINC000411086313 512465079 /nfs/dbraw/zinc/46/50/79/512465079.db2.gz OEGCOQDLHRBEGG-UHFFFAOYSA-N 1 0 367.471 2.930 20 5 FFBDRO Cc1c(NC(=O)[C@@H](C)N2CCC[C@@H]([NH+]3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000369583866 512494038 /nfs/dbraw/zinc/49/40/38/512494038.db2.gz KYIWIERHVWQLTA-HZPDHXFCSA-N 1 0 360.458 2.790 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCOC[C@H]1CC(C)C ZINC000411285976 512562895 /nfs/dbraw/zinc/56/28/95/512562895.db2.gz WFEBSIDEQKYMIG-OAHLLOKOSA-N 1 0 365.430 2.679 20 5 FFBDRO O=C(NC1CC1)c1ccc(NC2CC([NH+]3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000376015208 512617678 /nfs/dbraw/zinc/61/76/78/512617678.db2.gz QIKOMFCVQXFTPR-UHFFFAOYSA-N 1 0 358.442 2.916 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000372164085 512740026 /nfs/dbraw/zinc/74/00/26/512740026.db2.gz JVGIVFXIAFLDNX-XFBWCDHKSA-N 1 0 367.833 2.572 20 5 FFBDRO O=C(CC[NH2+][C@]1(CO)CCCc2ccccc21)Nc1ccc([N+](=O)[O-])cc1 ZINC000411673546 512750103 /nfs/dbraw/zinc/75/01/03/512750103.db2.gz KYXRTACTEWADHA-FQEVSTJZSA-N 1 0 369.421 2.737 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCC[C@@H]1C[C@H](C)O ZINC000411681013 512755083 /nfs/dbraw/zinc/75/50/83/512755083.db2.gz VQHHDLBJNFAFON-UONOGXRCSA-N 1 0 365.430 2.557 20 5 FFBDRO Cc1c(CC(=O)N[C@@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000374315533 512762023 /nfs/dbraw/zinc/76/20/23/512762023.db2.gz GAWLSSAIPDSNHO-QZTJIDSGSA-N 1 0 353.422 2.660 20 5 FFBDRO COC[C@@H]1CCCC[N@@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000376370620 512789080 /nfs/dbraw/zinc/78/90/80/512789080.db2.gz RJSLPWOVFINBLA-ZIAGYGMSSA-N 1 0 365.430 2.679 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000376412351 512808745 /nfs/dbraw/zinc/80/87/45/512808745.db2.gz YMJMXJDRNVXCNX-XYPWUTKMSA-N 1 0 361.442 2.756 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000374423167 512826563 /nfs/dbraw/zinc/82/65/63/512826563.db2.gz VFKLPNBCIIMKJM-FRFSOERESA-N 1 0 353.850 2.932 20 5 FFBDRO CCOC[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000411818102 512829131 /nfs/dbraw/zinc/82/91/31/512829131.db2.gz KHZXDLQYAPNIRX-AWEZNQCLSA-N 1 0 365.430 2.823 20 5 FFBDRO O=C(CC[N@@H+]1CC[C@@H](OCc2ccncc2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000376517405 512854014 /nfs/dbraw/zinc/85/40/14/512854014.db2.gz JNNIWDWPKHTABY-GOSISDBHSA-N 1 0 370.409 2.610 20 5 FFBDRO O=C(CC[N@@H+]1C[C@@H](O)C[C@H]1c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000411920929 512875193 /nfs/dbraw/zinc/87/51/93/512875193.db2.gz CUAIMRAAEPBEFY-YJBOKZPZSA-N 1 0 355.394 2.731 20 5 FFBDRO O=C(CC[N@@H+]1C[C@@H](O)C[C@@H]1c1ccccc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411932530 512879514 /nfs/dbraw/zinc/87/95/14/512879514.db2.gz GAEJBUROQPVAKG-ZWKOTPCHSA-N 1 0 355.394 2.731 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000374593393 512907203 /nfs/dbraw/zinc/90/72/03/512907203.db2.gz JFTIWHXXQIGPAW-HLIPFELVSA-N 1 0 372.421 2.702 20 5 FFBDRO COc1cccc(NCCN2CC[NH+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000390915336 512914304 /nfs/dbraw/zinc/91/43/04/512914304.db2.gz SZVWABLWJOQBBU-UHFFFAOYSA-N 1 0 370.453 2.833 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1SC ZINC000374627350 512924665 /nfs/dbraw/zinc/92/46/65/512924665.db2.gz XBDRQYVXCBCVPH-DRZSPHRISA-N 1 0 365.455 2.525 20 5 FFBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000412052712 512932715 /nfs/dbraw/zinc/93/27/15/512932715.db2.gz YHXWIMKBHPTTEV-UJDVCPFMSA-N 1 0 358.398 2.799 20 5 FFBDRO O=C(N[C@H]1CC[NH2+]C12CCCC2)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000401433159 512964453 /nfs/dbraw/zinc/96/44/53/512964453.db2.gz XZPNAQIEGMKGOR-ZDUSSCGKSA-N 1 0 368.231 2.762 20 5 FFBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC000412110895 512965492 /nfs/dbraw/zinc/96/54/92/512965492.db2.gz DZWMPAYWSASLAM-CYBMUJFWSA-N 1 0 367.421 2.666 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(CC(=O)NCCC[NH+](C(C)C)C(C)C)c1F ZINC000412165939 512984176 /nfs/dbraw/zinc/98/41/76/512984176.db2.gz VCQYXJHXCUWYHX-UHFFFAOYSA-N 1 0 369.437 2.910 20 5 FFBDRO COCC[C@H]1CCCC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000368655872 513044209 /nfs/dbraw/zinc/04/42/09/513044209.db2.gz QEZGMIDBFFAJIW-OAHLLOKOSA-N 1 0 361.442 2.623 20 5 FFBDRO CCOC(=O)c1cc(NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000433710106 513133117 /nfs/dbraw/zinc/13/31/17/513133117.db2.gz RBPFCOOGGONTAC-KBPBESRZSA-N 1 0 365.430 2.683 20 5 FFBDRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000417711843 513176792 /nfs/dbraw/zinc/17/67/92/513176792.db2.gz FHJYQSLQUAMYNU-SFYZZRBRSA-N 1 0 360.458 2.733 20 5 FFBDRO Cc1ccc(NCCCNC(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000417716690 513177656 /nfs/dbraw/zinc/17/76/56/513177656.db2.gz LSTAZAIIGLNQTP-HUUCEWRRSA-N 1 0 363.462 2.522 20 5 FFBDRO Cc1nc(NCC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000450401270 513178703 /nfs/dbraw/zinc/17/87/03/513178703.db2.gz HXUZEFSPXKPWHD-RHSMWYFYSA-N 1 0 355.442 2.828 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000439889199 513204620 /nfs/dbraw/zinc/20/46/20/513204620.db2.gz UDFHLVZLUVRVQN-UHFFFAOYSA-N 1 0 350.419 2.988 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000429024025 513260265 /nfs/dbraw/zinc/26/02/65/513260265.db2.gz GKGYHMQRHGBYCR-FRFSOERESA-N 1 0 360.458 2.504 20 5 FFBDRO COc1ccc(NC(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000415438584 513262782 /nfs/dbraw/zinc/26/27/82/513262782.db2.gz LZDIUTDFPXALOT-LSDHHAIUSA-N 1 0 356.382 2.562 20 5 FFBDRO CC(C)[C@@H]([NH3+])CNC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000429186053 513301463 /nfs/dbraw/zinc/30/14/63/513301463.db2.gz GDANCSSBKRWFKF-NSHDSACASA-N 1 0 362.352 2.515 20 5 FFBDRO COc1ccc(OCC[N@@H+]2CCOC[C@@H](C3CCC3)C2)c([N+](=O)[O-])c1 ZINC000429237044 513310932 /nfs/dbraw/zinc/31/09/32/513310932.db2.gz OBQNHYAMAWBIDV-HNNXBMFYSA-N 1 0 350.415 2.731 20 5 FFBDRO [NH3+]C[C@@H](NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])C1CCCCC1 ZINC000417995823 513324792 /nfs/dbraw/zinc/32/47/92/513324792.db2.gz RWOLYIZGPBGVAN-OAHLLOKOSA-N 1 0 368.865 2.998 20 5 FFBDRO CC(=O)N1CCC[N@H+](C[C@H]2CCCN(c3cccc(C)c3[N+](=O)[O-])C2)CC1 ZINC000450773504 513334624 /nfs/dbraw/zinc/33/46/24/513334624.db2.gz MPACXDFGTCFAQZ-GOSISDBHSA-N 1 0 374.485 2.674 20 5 FFBDRO Cc1c(NC(=O)N2CC[C@H]([NH3+])[C@H](C)C2)cc(Br)cc1[N+](=O)[O-] ZINC000415653742 513363938 /nfs/dbraw/zinc/36/39/38/513363938.db2.gz ILRZQPYGQAPEHT-KCJUWKMLSA-N 1 0 371.235 2.867 20 5 FFBDRO CCOc1cc(C(=O)NC2CCC([NH+](C)C)CC2)c([N+](=O)[O-])cc1OC ZINC000421685387 513369595 /nfs/dbraw/zinc/36/95/95/513369595.db2.gz QWVATLRHUOCULN-UHFFFAOYSA-N 1 0 365.430 2.605 20 5 FFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CCCCN1C1CC1 ZINC000446976931 513372427 /nfs/dbraw/zinc/37/24/27/513372427.db2.gz ZEDUSGDRFVWYLG-KBXCAEBGSA-N 1 0 360.458 2.918 20 5 FFBDRO O=C(CC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)Nc1ccc([N+](=O)[O-])cc1 ZINC000450868256 513374812 /nfs/dbraw/zinc/37/48/12/513374812.db2.gz VVWDRINTFCPZED-NXHRZFHOSA-N 1 0 359.426 2.861 20 5 FFBDRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415699480 513387159 /nfs/dbraw/zinc/38/71/59/513387159.db2.gz IYUFUABNZGLNHL-ZANVPECISA-N 1 0 371.235 2.996 20 5 FFBDRO O=C(NCCC[NH2+]C1CC1)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415700340 513388426 /nfs/dbraw/zinc/38/84/26/513388426.db2.gz MDUCNFDQBVBNTR-UHFFFAOYSA-N 1 0 357.208 2.621 20 5 FFBDRO CCCC[C@H](C[NH3+])NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415703215 513389269 /nfs/dbraw/zinc/38/92/69/513389269.db2.gz QHZCBUCXHUOJJD-SNVBAGLBSA-N 1 0 359.224 2.996 20 5 FFBDRO COC1([C@H](C)[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000421844334 513451636 /nfs/dbraw/zinc/45/16/36/513451636.db2.gz TWAQVZRPOAPFPL-AWEZNQCLSA-N 1 0 370.471 2.696 20 5 FFBDRO O=C(Nc1ccc2c(c1)C[NH2+]CC2)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000415881399 513460500 /nfs/dbraw/zinc/46/05/00/513460500.db2.gz IFNSQCDUASZFTQ-UHFFFAOYSA-N 1 0 352.394 2.831 20 5 FFBDRO C[C@H](NC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)[C@H]1CCC[NH2+]C1 ZINC000418332701 513467703 /nfs/dbraw/zinc/46/77/03/513467703.db2.gz DLEUXTVVWKROLK-BHYGNILZSA-N 1 0 360.458 2.872 20 5 FFBDRO CC1CC[NH+](C[C@H](O)CNc2ncc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000413132563 513471143 /nfs/dbraw/zinc/47/11/43/513471143.db2.gz IYCYVYLNSQHVHP-GFCCVEGCSA-N 1 0 362.352 2.513 20 5 FFBDRO CC(C)(C(=O)NCCc1cn2c(n1)CCCC2)c1ccccc1[N+](=O)[O-] ZINC000429840526 513478280 /nfs/dbraw/zinc/47/82/80/513478280.db2.gz OSLOEWTVQKILNY-UHFFFAOYSA-N 1 0 356.426 2.764 20 5 FFBDRO CC(C)(NC(=O)Nc1ccc(OCC[NH3+])cc1)c1ccccc1[N+](=O)[O-] ZINC000415945303 513492373 /nfs/dbraw/zinc/49/23/73/513492373.db2.gz KTSWSFDMHFICCH-UHFFFAOYSA-N 1 0 358.398 2.989 20 5 FFBDRO Cc1cccc(C(=O)NCC[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000447533498 513500237 /nfs/dbraw/zinc/50/02/37/513500237.db2.gz XTYHMXDRVFARPL-IRXDYDNUSA-N 1 0 371.441 2.603 20 5 FFBDRO Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)cccc1[N+](=O)[O-] ZINC000441193831 513510470 /nfs/dbraw/zinc/51/04/70/513510470.db2.gz IAIWETVOMLRVAV-HZPDHXFCSA-N 1 0 361.442 2.980 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2CCOC3(CCOCC3)C2)n1 ZINC000447585586 513515242 /nfs/dbraw/zinc/51/52/42/513515242.db2.gz KQSTYTMLXUPZLA-OWCLPIDISA-N 1 0 364.446 2.593 20 5 FFBDRO COc1ccc(CNC(=O)C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000451098885 513518959 /nfs/dbraw/zinc/51/89/59/513518959.db2.gz JRZXDIIBYXRPLE-ZDUSSCGKSA-N 1 0 373.409 2.579 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCOCC(F)(F)C(F)F)n1 ZINC000447601631 513520289 /nfs/dbraw/zinc/52/02/89/513520289.db2.gz QQNIUCAKFMGDNB-WDEREUQCSA-N 1 0 368.331 2.782 20 5 FFBDRO CCC[NH+]1CCC(N(C)C(=O)Cc2c(F)c(OC)ccc2[N+](=O)[O-])CC1 ZINC000413206840 513521333 /nfs/dbraw/zinc/52/13/33/513521333.db2.gz CEAGVNONGXJXKN-UHFFFAOYSA-N 1 0 367.421 2.618 20 5 FFBDRO CCCN(Cc1c(F)cccc1Cl)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000441279924 513528356 /nfs/dbraw/zinc/52/83/56/513528356.db2.gz PUMGUPKBNXFAMK-ZDUSSCGKSA-N 1 0 370.812 2.857 20 5 FFBDRO COc1cc(CN(C2CC2)[C@H]2CC[NH2+]C2)c([N+](=O)[O-])cc1OC(F)F ZINC000435250787 513543739 /nfs/dbraw/zinc/54/37/39/513543739.db2.gz ZMGQTUUQNXWMFJ-LBPRGKRZSA-N 1 0 357.357 2.531 20 5 FFBDRO CN(C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)C(C)(C)C[NH+]1CCCC1 ZINC000416093145 513567544 /nfs/dbraw/zinc/56/75/44/513567544.db2.gz JJQCNMBQADRQCC-UHFFFAOYSA-N 1 0 371.441 2.727 20 5 FFBDRO COc1cc(CN2CC[C@@H]([NH3+])C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000435370352 513568098 /nfs/dbraw/zinc/56/80/98/513568098.db2.gz IKFZEAWNMOZQIZ-MRXNPFEDSA-N 1 0 357.410 2.715 20 5 FFBDRO C[C@@H]1CCCC[N@@H+]1CCNc1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000447812628 513577590 /nfs/dbraw/zinc/57/75/90/513577590.db2.gz NBGOKBQQBZPWAQ-MRXNPFEDSA-N 1 0 362.474 2.713 20 5 FFBDRO CC(C)OC[C@H](CO)N(C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425467146 513581680 /nfs/dbraw/zinc/58/16/80/513581680.db2.gz BIHFCZXPSHOZCX-ZDUSSCGKSA-N 1 0 361.236 2.575 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC000430241017 513597911 /nfs/dbraw/zinc/59/79/11/513597911.db2.gz QBVOEUCDQYEKKC-CQSZACIVSA-N 1 0 363.458 2.978 20 5 FFBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H](C2CCOCC2)C2(CO)CCC2)cc1 ZINC000425536336 513626071 /nfs/dbraw/zinc/62/60/71/513626071.db2.gz HGAOMCNEYGFWBE-SFHVURJKSA-N 1 0 364.442 2.521 20 5 FFBDRO Cc1ncsc1CN(C[C@H]1CC[NH2+]C1)C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000435600620 513631565 /nfs/dbraw/zinc/63/15/65/513631565.db2.gz DSCGBCKYIZSLRE-AWEZNQCLSA-N 1 0 374.466 2.920 20 5 FFBDRO COC(=O)c1cnc(NC[C@@H]2CCC[N@@H+]2C2CCCCC2)c([N+](=O)[O-])c1 ZINC000435601867 513633352 /nfs/dbraw/zinc/63/33/52/513633352.db2.gz RHNIDEQFOPYYAZ-HNNXBMFYSA-N 1 0 362.430 2.985 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000448080292 513671273 /nfs/dbraw/zinc/67/12/73/513671273.db2.gz LXYDLAGVAIYIKR-OAHLLOKOSA-N 1 0 350.419 2.845 20 5 FFBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H](CCO)c2cccc(C(F)(F)F)c2)c1 ZINC000451313420 513671477 /nfs/dbraw/zinc/67/14/77/513671477.db2.gz WEHBCVDHQXFAJX-AWEZNQCLSA-N 1 0 358.320 2.523 20 5 FFBDRO COCC(C)(C)[NH+]1CCN(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000425656849 513682895 /nfs/dbraw/zinc/68/28/95/513682895.db2.gz HWTJULAOFFREQJ-UHFFFAOYSA-N 1 0 364.446 2.786 20 5 FFBDRO COCC(C)(C)[NH+]1CCN(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000425667931 513689569 /nfs/dbraw/zinc/68/95/69/513689569.db2.gz HQIPILHPBIPCQZ-UHFFFAOYSA-N 1 0 364.446 2.786 20 5 FFBDRO CC1(C)[C@H]([NH2+]Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[C@H]2CCCO[C@@H]21 ZINC000451477312 513773462 /nfs/dbraw/zinc/77/34/62/513773462.db2.gz HFMPJTWYJCSWPC-BMFZPTHFSA-N 1 0 358.398 2.938 20 5 FFBDRO CO[C@@]1(C)C[C@H]([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1(C)C ZINC000451482193 513778219 /nfs/dbraw/zinc/77/82/19/513778219.db2.gz CJSYFASDFFNSJB-BBRMVZONSA-N 1 0 355.822 2.980 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)C[C@H]1C ZINC000416462475 513784159 /nfs/dbraw/zinc/78/41/59/513784159.db2.gz QPQAACDWGBRDMG-CABCVRRESA-N 1 0 369.487 2.705 20 5 FFBDRO CN(C(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@H]1CC[N@@H+](C2CC2)C1 ZINC000430944330 513788289 /nfs/dbraw/zinc/78/82/89/513788289.db2.gz SQXIERZYGKQHRW-LBPRGKRZSA-N 1 0 368.231 2.666 20 5 FFBDRO O=C(COc1cccc([N+](=O)[O-])c1)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000436255190 513808823 /nfs/dbraw/zinc/80/88/23/513808823.db2.gz WPXDTLLJZKRRAH-QGZVFWFLSA-N 1 0 361.442 2.887 20 5 FFBDRO CN(Cc1ccc([N+](=O)[O-])cc1F)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425967163 513809475 /nfs/dbraw/zinc/80/94/75/513809475.db2.gz NLHSTTCPVSKRDM-HXUWFJFHSA-N 1 0 373.428 2.803 20 5 FFBDRO CCO[C@H]1CC[N@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C[C@@H]1C ZINC000451545456 513823040 /nfs/dbraw/zinc/82/30/40/513823040.db2.gz RBCWNEFVYIAMFH-GUYCJALGSA-N 1 0 365.430 2.679 20 5 FFBDRO CCn1cc([N+](=O)[O-])c(C(=O)NCC[NH+]2CCC3(CCCCC3)CC2)n1 ZINC000442982255 513835145 /nfs/dbraw/zinc/83/51/45/513835145.db2.gz XDXIDUKDBGTIKQ-UHFFFAOYSA-N 1 0 363.462 2.587 20 5 FFBDRO COc1cc(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)c([N+](=O)[O-])cc1F ZINC000448695983 513850074 /nfs/dbraw/zinc/85/00/74/513850074.db2.gz CKYZXQHPJIUYHN-NEPJUHHUSA-N 1 0 353.394 2.735 20 5 FFBDRO C[C@@H]1[C@H](NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CCC[N@@H+]1C ZINC000426209178 513872106 /nfs/dbraw/zinc/87/21/06/513872106.db2.gz HNBBBWYXCAPQAC-QMTHXVAHSA-N 1 0 374.363 2.896 20 5 FFBDRO CCCN(CC[NH+]1CCCC1)C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000451697127 513917812 /nfs/dbraw/zinc/91/78/12/513917812.db2.gz VAIIWSRCBAOXTO-UHFFFAOYSA-N 1 0 361.442 2.892 20 5 FFBDRO NC(=O)CC[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCOc2ccccc21 ZINC000451711623 513931247 /nfs/dbraw/zinc/93/12/47/513931247.db2.gz MTIYNLYLKISBKW-GOSISDBHSA-N 1 0 369.421 2.839 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CC[C@@H]4C[C@H](O)CC[C@H]4C3)o2)cc1 ZINC000451714596 513933414 /nfs/dbraw/zinc/93/34/14/513933414.db2.gz SIBCTDXKSSOTIX-IJEWVQPXSA-N 1 0 358.398 2.628 20 5 FFBDRO C[NH+](C)[C@@H](CC(=O)NCCNc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000431618363 513945613 /nfs/dbraw/zinc/94/56/13/513945613.db2.gz PVHZEDZQHMUDFP-SFHVURJKSA-N 1 0 356.426 2.816 20 5 FFBDRO C[NH+](C)C[C@H]1CCc2ccccc2N1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000436721532 513956039 /nfs/dbraw/zinc/95/60/39/513956039.db2.gz KSRRYVQHERQOCZ-QGZVFWFLSA-N 1 0 369.421 2.883 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCC([NH2+]CC2CC2)CC1 ZINC000422872160 513958624 /nfs/dbraw/zinc/95/86/24/513958624.db2.gz FZLVRLQWNKDHRE-UHFFFAOYSA-N 1 0 354.410 2.747 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@H](CO)CC(C)(C)C ZINC000451777275 513973516 /nfs/dbraw/zinc/97/35/16/513973516.db2.gz IFQPOYQLUNDYNV-AWEZNQCLSA-N 1 0 367.446 2.661 20 5 FFBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]Cc1nc2ncccn2n1 ZINC000414259159 514025790 /nfs/dbraw/zinc/02/57/90/514025790.db2.gz GQRRXJAHVCBHFQ-DZGCQCFKSA-N 1 0 352.398 2.534 20 5 FFBDRO C[C@H]1CN(CC(F)(F)F)CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000451866891 514031086 /nfs/dbraw/zinc/03/10/86/514031086.db2.gz BUIAQHVMRMDJPE-CYBMUJFWSA-N 1 0 361.364 2.790 20 5 FFBDRO C[C@H]1CN(CC(F)(F)F)CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000451868841 514032632 /nfs/dbraw/zinc/03/26/32/514032632.db2.gz DZNRCHVHUUDGCH-CYBMUJFWSA-N 1 0 361.364 2.790 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000426862487 514061431 /nfs/dbraw/zinc/06/14/31/514061431.db2.gz SXWXZXUKTGHXAK-QGZVFWFLSA-N 1 0 357.410 2.945 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(N2CCO[C@@H](C)C2)nc1 ZINC000449085042 514064911 /nfs/dbraw/zinc/06/49/11/514064911.db2.gz ZXQDXHAGALBCCA-HOTGVXAUSA-N 1 0 370.453 2.936 20 5 FFBDRO CCc1ccccc1[C@@H]([NH3+])CNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000420283042 514071338 /nfs/dbraw/zinc/07/13/38/514071338.db2.gz SPZYVUDKWCOKSG-AWEZNQCLSA-N 1 0 363.439 2.673 20 5 FFBDRO CCc1ccccc1[C@H]([NH3+])CNc1c(Br)cncc1[N+](=O)[O-] ZINC000420284788 514071557 /nfs/dbraw/zinc/07/15/57/514071557.db2.gz VBRGYCGZWXUXEV-CYBMUJFWSA-N 1 0 365.231 2.849 20 5 FFBDRO CCCN(CC[NH+]1CCCC1)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000451924846 514074394 /nfs/dbraw/zinc/07/43/94/514074394.db2.gz JQVTTYJDAYECCS-UHFFFAOYSA-N 1 0 371.441 2.933 20 5 FFBDRO CCc1ccccc1[C@@H]([NH3+])CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000420289560 514075098 /nfs/dbraw/zinc/07/50/98/514075098.db2.gz ZNERNWUEGHKWQC-LBPRGKRZSA-N 1 0 369.468 2.734 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@]2(CCSC2)C1 ZINC000451964044 514098645 /nfs/dbraw/zinc/09/86/45/514098645.db2.gz INIZLDDUQJSHHO-RHSMWYFYSA-N 1 0 352.456 2.554 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCN1C(=O)COc2ccccc21 ZINC000449172818 514100714 /nfs/dbraw/zinc/10/07/14/514100714.db2.gz MMHWHXWCDHUPHN-OAHLLOKOSA-N 1 0 369.421 2.931 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C[C@@H]1C ZINC000444025922 514102975 /nfs/dbraw/zinc/10/29/75/514102975.db2.gz RVNOJVDCUXYVGB-QWHCGFSZSA-N 1 0 350.419 2.940 20 5 FFBDRO C[C@@H]1CN(c2c(Cl)cccc2[N+](=O)[O-])CCN1C1CC[NH+](C)CC1 ZINC000432137539 514104737 /nfs/dbraw/zinc/10/47/37/514104737.db2.gz HUQPPVNGHFTVPR-CYBMUJFWSA-N 1 0 352.866 2.853 20 5 FFBDRO COc1ccccc1N1CC[C@H]([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])C1=O ZINC000449191979 514106212 /nfs/dbraw/zinc/10/62/12/514106212.db2.gz PXXGZWLSIOAHII-ZBFHGGJFSA-N 1 0 369.421 2.930 20 5 FFBDRO CS(=O)(=O)c1cccc(C[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000449225770 514122180 /nfs/dbraw/zinc/12/21/80/514122180.db2.gz LEAWCNIMMPBPSX-UHFFFAOYSA-N 1 0 368.842 2.984 20 5 FFBDRO CN(C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000437289579 514132483 /nfs/dbraw/zinc/13/24/83/514132483.db2.gz QWAGYKHRRRGRRS-CYBMUJFWSA-N 1 0 357.332 2.922 20 5 FFBDRO [NH3+]Cc1cc(C(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])co1 ZINC000444154391 514136873 /nfs/dbraw/zinc/13/68/73/514136873.db2.gz DCUFJBIQIWOKMP-UHFFFAOYSA-N 1 0 372.303 2.507 20 5 FFBDRO O=C(CN1CCCC[C@@H]1[C@H]1CC[NH2+]C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000420412407 514138965 /nfs/dbraw/zinc/13/89/65/514138965.db2.gz ZBHYPLAKWPSRFJ-BLLLJJGKSA-N 1 0 366.849 2.651 20 5 FFBDRO CCC[C@H]1C[NH2+]CCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000423512141 514157729 /nfs/dbraw/zinc/15/77/29/514157729.db2.gz OFDXXVOHAXNQNS-LBPRGKRZSA-N 1 0 356.220 2.571 20 5 FFBDRO COc1ccc(C[NH2+][C@@H]2CCN(c3ccc(F)cc3)C2=O)cc1[N+](=O)[O-] ZINC000414529183 514165718 /nfs/dbraw/zinc/16/57/18/514165718.db2.gz OYJUJHVBLNCAIB-OAHLLOKOSA-N 1 0 359.357 2.638 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1 ZINC000452055979 514166905 /nfs/dbraw/zinc/16/69/05/514166905.db2.gz VOFCRNHPMOPZJL-FCIKYMEBSA-N 1 0 359.426 2.910 20 5 FFBDRO CCS(=O)(=O)CCC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000414545825 514172711 /nfs/dbraw/zinc/17/27/11/514172711.db2.gz RWNBOWKJMWLSKN-UHFFFAOYSA-N 1 0 352.412 2.769 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1CNCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432364138 514173512 /nfs/dbraw/zinc/17/35/12/514173512.db2.gz ZVEYYHWEVSDAOF-HNNXBMFYSA-N 1 0 351.447 2.584 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H]3CCCN3CCCO)o2)cc1 ZINC000449390472 514190495 /nfs/dbraw/zinc/19/04/95/514190495.db2.gz WFDPOEKBVPIVRO-QGZVFWFLSA-N 1 0 359.426 2.791 20 5 FFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@@H]2CCCCN2CCO)o1 ZINC000449389472 514191294 /nfs/dbraw/zinc/19/12/94/514191294.db2.gz DBYAXXNLNYCIDW-HNNXBMFYSA-N 1 0 359.426 2.791 20 5 FFBDRO NC(=O)c1cccc([N+](=O)[O-])c1NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000420582337 514191991 /nfs/dbraw/zinc/19/19/91/514191991.db2.gz IUCHHPZDPFAFDM-QGZVFWFLSA-N 1 0 354.410 2.943 20 5 FFBDRO COc1cc(C[NH2+]C[C@H](Cc2ccccc2)OC)c([N+](=O)[O-])cc1OC ZINC000449393378 514193451 /nfs/dbraw/zinc/19/34/51/514193451.db2.gz MZYKPWDDSANJCS-INIZCTEOSA-N 1 0 360.410 2.959 20 5 FFBDRO NC(=O)c1cccc([N+](=O)[O-])c1NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000420592489 514194931 /nfs/dbraw/zinc/19/49/31/514194931.db2.gz ZSXPVXXYNMDFJL-MRXNPFEDSA-N 1 0 368.437 2.670 20 5 FFBDRO C[C@@H](CCC[NH3+])NC(=O)c1cc(F)cc2c1[nH]c1ccc(F)cc1c2=O ZINC000423693703 514203831 /nfs/dbraw/zinc/20/38/31/514203831.db2.gz SLWXTWHWHHQQBO-JTQLQIEISA-N 1 0 359.376 2.817 20 5 FFBDRO NC(=O)c1cccc([N+](=O)[O-])c1NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000420621026 514203947 /nfs/dbraw/zinc/20/39/47/514203947.db2.gz FNPCXCDWNMPHLI-HNNXBMFYSA-N 1 0 354.410 2.628 20 5 FFBDRO [NH3+][C@H]1CCC[C@H](CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000423698951 514205593 /nfs/dbraw/zinc/20/55/93/514205593.db2.gz OMLIAZUKFWLHFM-CABZTGNLSA-N 1 0 356.220 2.605 20 5 FFBDRO CCc1ccccc1[C@H]([NH3+])CNC(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000417172731 514210065 /nfs/dbraw/zinc/21/00/65/514210065.db2.gz GIEVURGPKJYGJT-QGZVFWFLSA-N 1 0 372.425 2.665 20 5 FFBDRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000432519060 514216716 /nfs/dbraw/zinc/21/67/16/514216716.db2.gz MSELYPGXGGMWEW-WMLDXEAASA-N 1 0 368.437 2.935 20 5 FFBDRO COC[C@]1(C(=O)OC)CC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000449460598 514219552 /nfs/dbraw/zinc/21/95/52/514219552.db2.gz ZIJRIHNHUCEEON-IBGZPJMESA-N 1 0 374.393 2.866 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000414661768 514229517 /nfs/dbraw/zinc/22/95/17/514229517.db2.gz XWXUITKZVMXEDH-UHFFFAOYSA-N 1 0 358.398 2.986 20 5 FFBDRO C[C@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])C(=O)NCCc1ccccc1 ZINC000449578236 514260162 /nfs/dbraw/zinc/26/01/62/514260162.db2.gz JKFHJGPUJCHGNG-UBAGTECSSA-N 1 0 353.422 2.945 20 5 FFBDRO C[N@@H+]1CCCN(CCC[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000417309637 514286851 /nfs/dbraw/zinc/28/68/51/514286851.db2.gz JBHWEQFMQWANNI-FQEVSTJZSA-N 1 0 360.502 2.980 20 5 FFBDRO COc1ccc(-c2ccc(CN3CC[NH2+]C[C@](C)(F)C3)o2)c([N+](=O)[O-])c1 ZINC000414776194 514287191 /nfs/dbraw/zinc/28/71/91/514287191.db2.gz MWTHETJTWXSPMQ-SFHVURJKSA-N 1 0 363.389 2.997 20 5 FFBDRO C[N@@H+](Cc1cc(F)cc(F)c1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000444692092 514294641 /nfs/dbraw/zinc/29/46/41/514294641.db2.gz KZKQWQYEVQCJPL-OAHLLOKOSA-N 1 0 352.337 2.745 20 5 FFBDRO COc1ccc(C(=O)Nc2nc(C3CC[NH2+]CC3)cs2)cc1[N+](=O)[O-] ZINC000423979760 514319991 /nfs/dbraw/zinc/31/99/91/514319991.db2.gz QRWWUGHKFLMNBQ-UHFFFAOYSA-N 1 0 362.411 2.779 20 5 FFBDRO O=C(N[C@H]1CCC[N@@H+](CCCO)C1)c1cc2ccccc2c2cccnc12 ZINC000452378664 514321441 /nfs/dbraw/zinc/32/14/41/514321441.db2.gz XBQPUTYVTPBZKI-KRWDZBQOSA-N 1 0 363.461 2.965 20 5 FFBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423988159 514324036 /nfs/dbraw/zinc/32/40/36/514324036.db2.gz ZEFFSVNHKPBWKW-RBUKOAKNSA-N 1 0 368.437 2.659 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CN[C@@H]2CC[NH2+]C2)cc1 ZINC000414888513 514342649 /nfs/dbraw/zinc/34/26/49/514342649.db2.gz SCGHEVVXERCGJJ-QGZVFWFLSA-N 1 0 363.421 2.899 20 5 FFBDRO C[C@H](CNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[N@@H+]1CCCC[C@H]1C ZINC000444850050 514351270 /nfs/dbraw/zinc/35/12/70/514351270.db2.gz NXVSPXIIPWBEMQ-CHWSQXEVSA-N 1 0 374.445 2.533 20 5 FFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000424051230 514358927 /nfs/dbraw/zinc/35/89/27/514358927.db2.gz INGIGPXODIXJCV-XUXIUFHCSA-N 1 0 351.472 2.907 20 5 FFBDRO COCCO[C@@H]1COCC[C@H]1[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433062366 514368808 /nfs/dbraw/zinc/36/88/08/514368808.db2.gz OHZXBHTXGDBUMO-FGTMMUONSA-N 1 0 364.442 2.727 20 5 FFBDRO C[C@H]1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@@H]1C[NH3+] ZINC000414946707 514369072 /nfs/dbraw/zinc/36/90/72/514369072.db2.gz JXHLKHLERGOOSP-UWVGGRQHSA-N 1 0 358.345 2.645 20 5 FFBDRO COc1cc(C[N@H+]2C[C@H](CO)C[C@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000420944451 514393416 /nfs/dbraw/zinc/39/34/16/514393416.db2.gz QVAOGTRLRVIJRA-WDEREUQCSA-N 1 0 360.357 2.655 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000420948804 514396569 /nfs/dbraw/zinc/39/65/69/514396569.db2.gz OFFBVIJLQQBHDI-STQMWFEESA-N 1 0 362.348 2.999 20 5 FFBDRO CN(C)C(=O)[C@@H]1CC[C@@H](C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)O1 ZINC000433226821 514428182 /nfs/dbraw/zinc/42/81/82/514428182.db2.gz IFBIZNXZDCDRJG-JQFCIGGWSA-N 1 0 361.442 2.543 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ccc(CNC[C@@H]3C[NH2+]CCO3)o2)c(Cl)c1 ZINC000415090646 514439018 /nfs/dbraw/zinc/43/90/18/514439018.db2.gz AWPLDPRVJDGTSV-ZDUSSCGKSA-N 1 0 351.790 2.586 20 5 FFBDRO O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000449969564 514447881 /nfs/dbraw/zinc/44/78/81/514447881.db2.gz RPQIBWFKHWITQN-AWEZNQCLSA-N 1 0 369.425 2.543 20 5 FFBDRO O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000449983030 514452221 /nfs/dbraw/zinc/45/22/21/514452221.db2.gz YIPYMBFYOOVSBS-KRWDZBQOSA-N 1 0 373.453 2.938 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+](Cc2cccc(F)c2)C2CCCC2)c1 ZINC000438875793 514455715 /nfs/dbraw/zinc/45/57/15/514455715.db2.gz KRNQFGVWPAIGNA-GOSISDBHSA-N 1 0 362.405 2.736 20 5 FFBDRO [NH3+]C1(c2noc(-c3cccc([N+](=O)[O-])c3N3CCOCC3)n2)CCCCC1 ZINC000424338876 514458960 /nfs/dbraw/zinc/45/89/60/514458960.db2.gz BGOAGVKKDBUQHD-UHFFFAOYSA-N 1 0 373.413 2.600 20 5 FFBDRO Cn1cnc([N+](=O)[O-])c1-c1noc([C@H]2CCCN2Cc2ccc(F)cc2)n1 ZINC000445570097 514493848 /nfs/dbraw/zinc/49/38/48/514493848.db2.gz CXRHMPIILJEDLE-CYBMUJFWSA-N 1 0 372.360 2.855 20 5 FFBDRO O=C(C[NH2+][C@H](c1cccnc1)C1CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000445820378 514526765 /nfs/dbraw/zinc/52/67/65/514526765.db2.gz UNTRDPYVZUHADE-IBGZPJMESA-N 1 0 352.394 2.620 20 5 FFBDRO CC(C)[N@H+](C)CCCNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000445843993 514531351 /nfs/dbraw/zinc/53/13/51/514531351.db2.gz WQZHAFDWDUWWOM-UHFFFAOYSA-N 1 0 372.263 2.746 20 5 FFBDRO CCOC(=O)[C@]1(COC)CCC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000439484833 514562995 /nfs/dbraw/zinc/56/29/95/514562995.db2.gz FTFLJRHNYIJMST-KBXCAEBGSA-N 1 0 350.415 2.948 20 5 FFBDRO CCc1n[nH]c(C(=O)N(CC[NH+]2CCCCCC2)C2CCC2)c1[N+](=O)[O-] ZINC000488880664 514619639 /nfs/dbraw/zinc/61/96/39/514619639.db2.gz VCSQIECJDXNHBI-UHFFFAOYSA-N 1 0 363.462 2.751 20 5 FFBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C)C[C@@H](C)C1 ZINC000453428738 514631856 /nfs/dbraw/zinc/63/18/56/514631856.db2.gz QMHSUGIWXHGTDG-GRDNDAEWSA-N 1 0 370.457 2.557 20 5 FFBDRO CC[NH+](CC)CCOc1ccc(CNC(=O)c2cc([N+](=O)[O-])c[nH]2)cc1 ZINC000479591037 514645542 /nfs/dbraw/zinc/64/55/42/514645542.db2.gz FCHVDDOVTKIADZ-UHFFFAOYSA-N 1 0 360.414 2.574 20 5 FFBDRO C[NH+](C)CCOc1ccc(NC(=O)c2csc([N+](=O)[O-])c2)cc1F ZINC000458305753 514700259 /nfs/dbraw/zinc/70/02/59/514700259.db2.gz AZTHPAKJMNWBNW-UHFFFAOYSA-N 1 0 353.375 2.988 20 5 FFBDRO CS[C@H]1CN(CCCOc2ccc([N+](=O)[O-])cc2)C[C@H]1[NH+]1CCCC1 ZINC000484633169 514721077 /nfs/dbraw/zinc/72/10/77/514721077.db2.gz CRPBGFCFONKGCN-MSOLQXFVSA-N 1 0 365.499 2.875 20 5 FFBDRO COc1cc(C[NH+]2CCC(C(=O)N[C@@H](C)C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000489136212 514724759 /nfs/dbraw/zinc/72/47/59/514724759.db2.gz IGRDCQMOSNTWDI-AWEZNQCLSA-N 1 0 363.458 2.976 20 5 FFBDRO Cc1cc(N2CC[NH+](CC(C)(C)O)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461788852 514739046 /nfs/dbraw/zinc/73/90/46/514739046.db2.gz TWIPRRITCAHKCJ-UHFFFAOYSA-N 1 0 361.364 2.815 20 5 FFBDRO Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC000508529661 514809686 /nfs/dbraw/zinc/80/96/86/514809686.db2.gz YSIXYBNKYGTADV-UHFFFAOYSA-N 1 0 372.473 2.949 20 5 FFBDRO CCn1nc(C)c([N+](=O)[O-])c1N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000480093338 514839553 /nfs/dbraw/zinc/83/95/53/514839553.db2.gz NZGHSHJLCPHOIG-UHFFFAOYSA-N 1 0 358.446 2.867 20 5 FFBDRO CC[NH+](CC)[C@H](C)CNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000471356267 514848982 /nfs/dbraw/zinc/84/89/82/514848982.db2.gz ZHIPLRCNNYKAFY-GFCCVEGCSA-N 1 0 357.838 2.864 20 5 FFBDRO Cc1cccc(C[C@H](CO)[NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000467357271 514987542 /nfs/dbraw/zinc/98/75/42/514987542.db2.gz WQJQZAVWTGUJFO-CRAIPNDOSA-N 1 0 371.437 2.814 20 5 FFBDRO Cc1ccccc1C[C@H](CO)[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000467378987 514990815 /nfs/dbraw/zinc/99/08/15/514990815.db2.gz VLLRNPCSEFKAAI-CRAIPNDOSA-N 1 0 371.437 2.814 20 5 FFBDRO [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000471772849 515007317 /nfs/dbraw/zinc/00/73/17/515007317.db2.gz PFVCSCLNVUHUMF-WBVHZDCISA-N 1 0 356.426 2.735 20 5 FFBDRO C[C@H](CO)[N@@H+]1CCCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC1 ZINC000485407076 515028394 /nfs/dbraw/zinc/02/83/94/515028394.db2.gz MKLWUJFQHHYGCR-CQSZACIVSA-N 1 0 374.416 2.689 20 5 FFBDRO C[C@@H](O)C[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)[C@@H](C)C1 ZINC000485418759 515033426 /nfs/dbraw/zinc/03/34/26/515033426.db2.gz VQTYRDPKGVYNPA-UONOGXRCSA-N 1 0 374.416 2.687 20 5 FFBDRO CCN(CCC[NH+](CC)CC)S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000480705692 515052406 /nfs/dbraw/zinc/05/24/06/515052406.db2.gz GTSBDEATVLWDBA-UHFFFAOYSA-N 1 0 371.503 2.954 20 5 FFBDRO NC(=O)c1ccc(C[NH2+][C@@H]2CCC[C@@H]2OCc2ccccc2)c([N+](=O)[O-])c1 ZINC000503523320 515065924 /nfs/dbraw/zinc/06/59/24/515065924.db2.gz PBHJWVXYQYHQGK-MJGOQNOKSA-N 1 0 369.421 2.921 20 5 FFBDRO Cc1c(CNC(=O)N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000490204009 515140701 /nfs/dbraw/zinc/14/07/01/515140701.db2.gz SKPSJCBKKVNGSV-HBUWYVDXSA-N 1 0 360.458 2.775 20 5 FFBDRO Cc1ccc(C)c(S(=O)(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000481039718 515184286 /nfs/dbraw/zinc/18/42/86/515184286.db2.gz OBDLGICHQJMMJN-GJZGRUSLSA-N 1 0 369.487 2.753 20 5 FFBDRO C[C@@H]1[C@@H](Nc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)CCC[N@@H+]1C ZINC000462701956 515198803 /nfs/dbraw/zinc/19/88/03/515198803.db2.gz PEYSKMCVWKYGFH-ZBFHGGJFSA-N 1 0 356.426 2.885 20 5 FFBDRO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@H+](CCC(F)(F)F)CC3)nc2c1 ZINC000481178117 515236372 /nfs/dbraw/zinc/23/63/72/515236372.db2.gz FWDCOTQFTUACJE-UHFFFAOYSA-N 1 0 357.336 2.936 20 5 FFBDRO Cn1nc2c(c1C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)CCCC2 ZINC000462807088 515253860 /nfs/dbraw/zinc/25/38/60/515253860.db2.gz LNEZNXCIFUHOFK-JKSUJKDBSA-N 1 0 358.446 2.677 20 5 FFBDRO CC(C)(C)C1=CC[N@H+](CCNC(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000476955704 515263022 /nfs/dbraw/zinc/26/30/22/515263022.db2.gz YLNKKQNORMHYRE-UHFFFAOYSA-N 1 0 361.442 2.768 20 5 FFBDRO COc1ccc(CNc2cccc(C[N@@H+]3CC[C@@H](O)C3)c2)cc1[N+](=O)[O-] ZINC000462856904 515270259 /nfs/dbraw/zinc/27/02/59/515270259.db2.gz UMCNEOWVCUAISV-QGZVFWFLSA-N 1 0 357.410 2.782 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)C[C@@H]1C ZINC000481388074 515311139 /nfs/dbraw/zinc/31/11/39/515311139.db2.gz CNZRFEKFJSZRIW-GJZGRUSLSA-N 1 0 369.487 2.705 20 5 FFBDRO CCC[C@H]([NH2+][C@@H]1CCOC[C@@H]1OCCOC)c1cccc([N+](=O)[O-])c1 ZINC000486060551 515318191 /nfs/dbraw/zinc/31/81/91/515318191.db2.gz HOTKGQMMUBHNAP-KSZLIROESA-N 1 0 352.431 2.846 20 5 FFBDRO COc1ccc(C[NH2+]C2CCN(Cc3cccnc3)CC2)cc1[N+](=O)[O-] ZINC000481442866 515329678 /nfs/dbraw/zinc/32/96/78/515329678.db2.gz WURYLWLQDURMDE-UHFFFAOYSA-N 1 0 356.426 2.753 20 5 FFBDRO C[N@H+](CCOCCO)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000504576309 515333652 /nfs/dbraw/zinc/33/36/52/515333652.db2.gz YVSKURADOSJDGV-UHFFFAOYSA-N 1 0 354.790 2.949 20 5 FFBDRO CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000456683477 515348780 /nfs/dbraw/zinc/34/87/80/515348780.db2.gz BJTQOIABDQKPBF-UHFFFAOYSA-N 1 0 364.446 2.668 20 5 FFBDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)CN(C)c2ccccc2[N+](=O)[O-])C1 ZINC000463141451 515378627 /nfs/dbraw/zinc/37/86/27/515378627.db2.gz KECKTUYEISUNPG-OAHLLOKOSA-N 1 0 362.474 2.658 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000509978971 515387814 /nfs/dbraw/zinc/38/78/14/515387814.db2.gz HVSAJGDYSKABPP-KRWDZBQOSA-N 1 0 369.421 2.673 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)c2ccccc2)c1 ZINC000491305712 515412345 /nfs/dbraw/zinc/41/23/45/515412345.db2.gz NBBURVUGKYSVHO-RDTXWAMCSA-N 1 0 360.435 2.709 20 5 FFBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000499879355 515490683 /nfs/dbraw/zinc/49/06/83/515490683.db2.gz RZFIRMGACYIUBD-DZGCQCFKSA-N 1 0 354.410 2.742 20 5 FFBDRO CC[C@@H](C)[NH2+][C@@H](CNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccco1 ZINC000510363077 515515671 /nfs/dbraw/zinc/51/56/71/515515671.db2.gz KKPIBXDGDOIKIG-OLZOCXBDSA-N 1 0 367.427 2.596 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC000481961360 515528840 /nfs/dbraw/zinc/52/88/40/515528840.db2.gz YTMOWCYZHXJSQH-OAHLLOKOSA-N 1 0 369.487 2.754 20 5 FFBDRO CCOc1cc(C[N@@H+]2CCCC[C@@H]2CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000492629352 515548985 /nfs/dbraw/zinc/54/89/85/515548985.db2.gz JXUKVXGSCFBVIH-QGZVFWFLSA-N 1 0 363.458 2.680 20 5 FFBDRO COc1cccc([C@H]2[C@@H](NC(=O)c3ccc([N+](=O)[O-])[nH]3)CC[N@@H+]2C2CC2)c1 ZINC000482047141 515558402 /nfs/dbraw/zinc/55/84/02/515558402.db2.gz WAZRZHZECOTURE-YJBOKZPZSA-N 1 0 370.409 2.639 20 5 FFBDRO COc1cc(C[N@@H+]2CC[C@@H]3[C@H](CCC(=O)N3C3CC3)C2)ccc1[N+](=O)[O-] ZINC000492831432 515566085 /nfs/dbraw/zinc/56/60/85/515566085.db2.gz NVSOCSVKSPQONR-GDBMZVCRSA-N 1 0 359.426 2.579 20 5 FFBDRO Cc1cc(N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000486670463 515587879 /nfs/dbraw/zinc/58/78/79/515587879.db2.gz KLWVJWZQFLADNW-WMLDXEAASA-N 1 0 353.426 2.891 20 5 FFBDRO COc1cc(CN2CC[N@H+](C)[C@H](C)[C@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000505592546 515600345 /nfs/dbraw/zinc/60/03/45/515600345.db2.gz TUGKJRPHZSOTBQ-VXGBXAGGSA-N 1 0 373.400 2.772 20 5 FFBDRO Cn1cc(C(=O)NCC[N@@H+]2CCCC2(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000457079046 515633098 /nfs/dbraw/zinc/63/30/98/515633098.db2.gz RUMHTCKPUDOKGN-UHFFFAOYSA-N 1 0 371.441 2.600 20 5 FFBDRO C[C@@H]1C[N@@H+](CCCCNc2nc3ccccc3cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000473515014 515642282 /nfs/dbraw/zinc/64/22/82/515642282.db2.gz UKXAYZFGKRGCEL-GASCZTMLSA-N 1 0 358.442 2.866 20 5 FFBDRO O=c1cc2c(n[nH]1)CCN(Cc1csc(-c3cccc([N+](=O)[O-])c3)n1)C2 ZINC000482302992 515642759 /nfs/dbraw/zinc/64/27/59/515642759.db2.gz ZZRHAJGQVLYRFS-UHFFFAOYSA-N 1 0 369.406 2.772 20 5 FFBDRO CC(C)OCC[NH+]1CCC(Nc2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000473520942 515645743 /nfs/dbraw/zinc/64/57/43/515645743.db2.gz JDOYOFCOEUZPRH-UHFFFAOYSA-N 1 0 358.442 2.866 20 5 FFBDRO CNC(=O)[C@@H]([NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1)C(C)C ZINC000486815548 515647950 /nfs/dbraw/zinc/64/79/50/515647950.db2.gz PCNZINTZKCYPSJ-KRWDZBQOSA-N 1 0 361.398 2.724 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCC2(CC[NH2+]CC2)CC1 ZINC000477965368 515654336 /nfs/dbraw/zinc/65/43/36/515654336.db2.gz MKJAKOYXRWIPPZ-UHFFFAOYSA-N 1 0 354.410 2.749 20 5 FFBDRO C[C@@H]1C[NH+](C[C@H]2CCCN2Cc2c(F)cccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000505798191 515675697 /nfs/dbraw/zinc/67/56/97/515675697.db2.gz ZDLGUHFMKKJSDC-RBSFLKMASA-N 1 0 351.422 2.808 20 5 FFBDRO O=C(CC(F)(F)F)NC[C@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000510904685 515708144 /nfs/dbraw/zinc/70/81/44/515708144.db2.gz ZMWZMSNUMVDKLQ-GFCCVEGCSA-N 1 0 359.348 2.875 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N3C[C@H](C)[NH2+]C[C@H]3C)cc2[N+](=O)[O-])C1 ZINC000505880601 515709566 /nfs/dbraw/zinc/70/95/66/515709566.db2.gz WGHCUIOPMJUPIU-QLFBSQMISA-N 1 0 360.458 2.654 20 5 FFBDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000473761927 515743991 /nfs/dbraw/zinc/74/39/91/515743991.db2.gz DRZNLOKREROAMB-MRXNPFEDSA-N 1 0 364.446 2.868 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000511023060 515747195 /nfs/dbraw/zinc/74/71/95/515747195.db2.gz XTWYTNCCNGFNNU-LBPRGKRZSA-N 1 0 369.849 2.816 20 5 FFBDRO NC(=O)[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1F)Cc1ccccc1Cl ZINC000478256014 515755684 /nfs/dbraw/zinc/75/56/84/515755684.db2.gz MDDTWWCQOIARGB-ZDUSSCGKSA-N 1 0 365.792 2.821 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2noc(CN(CCO)Cc3cccc(F)c3)n2)cc1 ZINC000494232279 515778671 /nfs/dbraw/zinc/77/86/71/515778671.db2.gz ZFAZVEUTMPHKQP-UHFFFAOYSA-N 1 0 372.356 2.778 20 5 FFBDRO CO[C@H]1C[C@H]([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C12CCC2 ZINC000459740687 515781201 /nfs/dbraw/zinc/78/12/01/515781201.db2.gz BNRAASGHTFALPQ-KBPBESRZSA-N 1 0 353.806 2.734 20 5 FFBDRO O=[N+]([O-])c1cnn(CC[N@H+](CCCOc2ccccc2)C2CCOCC2)c1 ZINC000464578113 515879721 /nfs/dbraw/zinc/87/97/21/515879721.db2.gz SZDUXBCDGXRMGI-UHFFFAOYSA-N 1 0 374.441 2.741 20 5 FFBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000500856658 515883855 /nfs/dbraw/zinc/88/38/55/515883855.db2.gz ICQQNAQATCHATR-MRXNPFEDSA-N 1 0 363.462 2.570 20 5 FFBDRO C[N@H+](CCN1CCN(c2cccc([N+](=O)[O-])c2)CC1)Cc1ccccc1 ZINC000511446617 515909540 /nfs/dbraw/zinc/90/95/40/515909540.db2.gz QBOKCAQZVDBGTB-UHFFFAOYSA-N 1 0 354.454 2.849 20 5 FFBDRO C[C@H](CCCC[NH3+])NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000494705106 515934138 /nfs/dbraw/zinc/93/41/38/515934138.db2.gz YCFKUCAURLEABT-SNVBAGLBSA-N 1 0 363.336 2.783 20 5 FFBDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NCc1c([N+](=O)[O-])ncn1C ZINC000469764072 515955596 /nfs/dbraw/zinc/95/55/96/515955596.db2.gz NDDBUGOJRHNKQJ-HUUCEWRRSA-N 1 0 357.458 2.575 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+]C[C@@]2(C)CCCS2)cc1[N+](=O)[O-] ZINC000474344945 516003755 /nfs/dbraw/zinc/00/37/55/516003755.db2.gz DVZXSHZLVOOIDS-MRXNPFEDSA-N 1 0 354.428 2.522 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+]C[C@@H]2CCc3ccccc32)cc1[N+](=O)[O-] ZINC000474350602 516005604 /nfs/dbraw/zinc/00/56/04/516005604.db2.gz MMQKAIFMGCTZFP-INIZCTEOSA-N 1 0 370.405 2.966 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+]CCc2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000474352602 516007241 /nfs/dbraw/zinc/00/72/41/516007241.db2.gz STFLMLGVGOTVEG-UHFFFAOYSA-N 1 0 358.394 2.787 20 5 FFBDRO C[NH+](C)C1(CNC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CCCC1 ZINC000487871790 516014820 /nfs/dbraw/zinc/01/48/20/516014820.db2.gz CPLFGCMSKJDZQK-UHFFFAOYSA-N 1 0 368.865 2.964 20 5 FFBDRO COc1cccc([C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2OC)[NH+](C)C)c1 ZINC000474392011 516027153 /nfs/dbraw/zinc/02/71/53/516027153.db2.gz NBOJNVTXIOGIEF-QGZVFWFLSA-N 1 0 373.409 2.645 20 5 FFBDRO C[C@@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@]2(CCCOC2)O1 ZINC000483368865 516052447 /nfs/dbraw/zinc/05/24/47/516052447.db2.gz CLGLUPQRQLKDRO-QAPCUYQASA-N 1 0 350.415 2.634 20 5 FFBDRO CC(C)C[N@@H+]1CC[C@@H](CNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C1 ZINC000465053433 516053556 /nfs/dbraw/zinc/05/35/56/516053556.db2.gz LRRDATUMDWYKNV-AWEZNQCLSA-N 1 0 360.458 2.877 20 5 FFBDRO CCc1cc(NC[C@@H]2CCC[N@H+]2CC)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000507111894 516092908 /nfs/dbraw/zinc/09/29/08/516092908.db2.gz RUIIGSXRZURPMQ-KRWDZBQOSA-N 1 0 355.442 2.932 20 5 FFBDRO C[C@@H]1CN(c2c3ccccc3ncc2[N+](=O)[O-])CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000488093077 516113462 /nfs/dbraw/zinc/11/34/62/516113462.db2.gz GCEAHFFWXAHQML-QAPCUYQASA-N 1 0 369.469 2.605 20 5 FFBDRO C[C@H](CNC(=O)NCCNc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC[C@H]1C ZINC000501510801 516132109 /nfs/dbraw/zinc/13/21/09/516132109.db2.gz GENIVHUUFMKSFQ-HUUCEWRRSA-N 1 0 363.462 2.569 20 5 FFBDRO C[NH+](C)[C@@H](CNC(=O)NCCc1ccccc1[N+](=O)[O-])c1cccc(F)c1 ZINC000465421064 516146927 /nfs/dbraw/zinc/14/69/27/516146927.db2.gz FNQDQZRLQCICSI-SFHVURJKSA-N 1 0 374.416 2.879 20 5 FFBDRO C[NH+](C)[C@H](CNC(=O)NCCc1ccccc1[N+](=O)[O-])c1cccc(F)c1 ZINC000465421063 516147313 /nfs/dbraw/zinc/14/73/13/516147313.db2.gz FNQDQZRLQCICSI-GOSISDBHSA-N 1 0 374.416 2.879 20 5 FFBDRO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000470164354 516155985 /nfs/dbraw/zinc/15/59/85/516155985.db2.gz UGKTWDHUFSVFTD-AWEZNQCLSA-N 1 0 354.410 2.890 20 5 FFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000470185048 516167966 /nfs/dbraw/zinc/16/79/66/516167966.db2.gz YAZIRTAWPYTXLS-IUPPMXBZSA-N 1 0 372.513 2.956 20 5 FFBDRO CC1=CCC[C@@H](C)[C@H]1C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000479435580 516192278 /nfs/dbraw/zinc/19/22/78/516192278.db2.gz GKLKQSRSABZSGJ-PBHICJAKSA-N 1 0 352.456 2.951 20 5 FFBDRO CC(C)c1ncc(C[N@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])cn1 ZINC000501867322 516249192 /nfs/dbraw/zinc/24/91/92/516249192.db2.gz ALLRCNIMPKZZEL-UHFFFAOYSA-N 1 0 357.414 2.969 20 5 FFBDRO COc1ccc(OCC[N@@H+]2CCCCC[C@@H]2C[C@H](C)O)c([N+](=O)[O-])c1 ZINC000512420958 516271822 /nfs/dbraw/zinc/27/18/22/516271822.db2.gz ORAWUNPIHFCYSA-LSDHHAIUSA-N 1 0 352.431 2.998 20 5 FFBDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@H](C)C1 ZINC000488715898 516292992 /nfs/dbraw/zinc/29/29/92/516292992.db2.gz BRBPHCLHAMHVMF-XEZPLFJOSA-N 1 0 357.414 2.811 20 5 FFBDRO C[N@@H+]1C[C@@H](NC(=O)CSc2ccc([N+](=O)[O-])cc2)[C@@H](c2ccccc2)C1 ZINC000497427999 516322122 /nfs/dbraw/zinc/32/21/22/516322122.db2.gz HRUCCMQVDSJMKU-QZTJIDSGSA-N 1 0 371.462 2.901 20 5 FFBDRO CCc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])nn2C)[NH+](CC)CC)cc1 ZINC000554226940 516331870 /nfs/dbraw/zinc/33/18/70/516331870.db2.gz NFPYBDPZNYXHEP-KRWDZBQOSA-N 1 0 373.457 2.704 20 5 FFBDRO COC(=O)[C@H]1CCCC[C@]1(C)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000535466820 516367038 /nfs/dbraw/zinc/36/70/38/516367038.db2.gz ZZAZLGVHMLWNOO-KDOFPFPSSA-N 1 0 363.414 2.553 20 5 FFBDRO O=C([C@@H]1CCC[N@H+](Cc2cccnc2)C1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000523134584 516395361 /nfs/dbraw/zinc/39/53/61/516395361.db2.gz QLVQMODVZNSQIA-MRXNPFEDSA-N 1 0 366.421 2.791 20 5 FFBDRO O=C(N1CCCC1)N1CCC[C@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000512885128 516401536 /nfs/dbraw/zinc/40/15/36/516401536.db2.gz KYVSGURXBZJWSL-JZLODUJNSA-N 1 0 358.442 2.878 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCCCC[NH+]1CCCCC1 ZINC000517708537 516420101 /nfs/dbraw/zinc/42/01/01/516420101.db2.gz DHOPLSVLHHJOLR-UHFFFAOYSA-N 1 0 369.487 2.838 20 5 FFBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000531388798 516445194 /nfs/dbraw/zinc/44/51/94/516445194.db2.gz CVOMBFKJRMAUAF-YOEHRIQHSA-N 1 0 356.426 2.574 20 5 FFBDRO Cc1cccc(NCC[NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)n1 ZINC000540155444 516457827 /nfs/dbraw/zinc/45/78/27/516457827.db2.gz GBPCFZFLAVVXNG-CQSZACIVSA-N 1 0 357.414 2.717 20 5 FFBDRO COc1ccc(NC(=O)NCC(C)(C)[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000543888060 516481517 /nfs/dbraw/zinc/48/15/17/516481517.db2.gz UZIIEXYSKBWVES-UHFFFAOYSA-N 1 0 350.419 2.989 20 5 FFBDRO CC(C)Oc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])cn2)[NH+](C)C)cc1 ZINC000557934171 516513859 /nfs/dbraw/zinc/51/38/59/516513859.db2.gz DARJVYBOGQVXRJ-SFHVURJKSA-N 1 0 372.425 2.810 20 5 FFBDRO Cc1nc(N(C)CCN2CC[NH+](Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000561356387 516538640 /nfs/dbraw/zinc/53/86/40/516538640.db2.gz LJNBPNHNVMZNKN-UHFFFAOYSA-N 1 0 369.469 2.552 20 5 FFBDRO CC(C)[N@H+](C)CC1CCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C)CC1 ZINC000554613113 516544500 /nfs/dbraw/zinc/54/45/00/516544500.db2.gz ZGSGWUIDHXIAQE-UHFFFAOYSA-N 1 0 372.473 2.947 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)CSc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000544047916 516557516 /nfs/dbraw/zinc/55/75/16/516557516.db2.gz SNTVBOPHMPAGNZ-UONOGXRCSA-N 1 0 351.472 2.876 20 5 FFBDRO CCN(CC[NH+]1CCCCCC1)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000561432132 516580701 /nfs/dbraw/zinc/58/07/01/516580701.db2.gz LINHXWZOMQCHQE-UHFFFAOYSA-N 1 0 369.487 2.701 20 5 FFBDRO Cc1ccc(C[NH2+]CCNc2ccc(-c3ccccc3)nn2)cc1[N+](=O)[O-] ZINC000518279458 516598946 /nfs/dbraw/zinc/59/89/46/516598946.db2.gz XHTUCQAJGYGASI-UHFFFAOYSA-N 1 0 363.421 2.984 20 5 FFBDRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]CCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000551313259 516654151 /nfs/dbraw/zinc/65/41/51/516654151.db2.gz KEYWXGFWVOTMNJ-DOTOQJQBSA-N 1 0 354.472 2.863 20 5 FFBDRO CC(=O)N1C[C@@H]2CCC[C@H](Nc3cc(C)[nH+]c4ccc([N+](=O)[O-])cc34)[C@H]2C1 ZINC000561700550 516721701 /nfs/dbraw/zinc/72/17/01/516721701.db2.gz IPSKDMJWANGZSH-WBAXXEDZSA-N 1 0 368.437 2.932 20 5 FFBDRO C[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1Oc2ccccc2[C@H]1C ZINC000544511593 516790718 /nfs/dbraw/zinc/79/07/18/516790718.db2.gz ASDVIFMIYRPGJV-FTLABTOESA-N 1 0 355.394 2.737 20 5 FFBDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000536510010 516797048 /nfs/dbraw/zinc/79/70/48/516797048.db2.gz SPDWZTDWMRWZGG-CQSZACIVSA-N 1 0 374.441 2.649 20 5 FFBDRO COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000541064556 516853815 /nfs/dbraw/zinc/85/38/15/516853815.db2.gz KKWQIERATZCHMO-GXTWGEPZSA-N 1 0 369.849 2.611 20 5 FFBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000541063812 516854090 /nfs/dbraw/zinc/85/40/90/516854090.db2.gz DBNVEKTUWAENBP-NSHDSACASA-N 1 0 371.384 2.999 20 5 FFBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000548294591 516878339 /nfs/dbraw/zinc/87/83/39/516878339.db2.gz OANDUJOLUDOXCH-LJQANCHMSA-N 1 0 356.426 2.718 20 5 FFBDRO CCc1ccc([C@@H](CNC(=O)c2[nH]ncc2[N+](=O)[O-])[NH+](CC)CC)cc1 ZINC000562187189 516950108 /nfs/dbraw/zinc/95/01/08/516950108.db2.gz WRFUSKFLHHSWOR-OAHLLOKOSA-N 1 0 359.430 2.693 20 5 FFBDRO CC(C)CC[C@@H]([NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000558934496 517008871 /nfs/dbraw/zinc/00/88/71/517008871.db2.gz MJUNKIJFQNGAKG-QGZVFWFLSA-N 1 0 369.487 2.678 20 5 FFBDRO CC(C)[N@H+](C)CC1CCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 ZINC000532540498 517026356 /nfs/dbraw/zinc/02/63/56/517026356.db2.gz LIVYQMDORDVLQA-UHFFFAOYSA-N 1 0 374.485 2.536 20 5 FFBDRO CS[C@H]1CN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C[C@H]1[NH+]1CCCC1 ZINC000548517010 517030270 /nfs/dbraw/zinc/03/02/70/517030270.db2.gz YRQXZMIMYFTEDV-CVEARBPZSA-N 1 0 374.466 2.728 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@H]2CC[C@H](c3ccccc3)O2)c1 ZINC000519539856 517034682 /nfs/dbraw/zinc/03/46/82/517034682.db2.gz LJYYUUSIPPGCFF-MISYRCLQSA-N 1 0 372.421 2.844 20 5 FFBDRO CC(C)(C)c1ccc(C(C)(C)[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000537105802 517038616 /nfs/dbraw/zinc/03/86/16/517038616.db2.gz YSTVSTYNZORRPO-QGZVFWFLSA-N 1 0 360.458 2.975 20 5 FFBDRO C[C@H](NC(=O)[C@H]1CN(Cc2ccccc2)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000525454600 517045446 /nfs/dbraw/zinc/04/54/46/517045446.db2.gz JREOXJYWGZABQM-HNAYVOBHSA-N 1 0 369.421 2.673 20 5 FFBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000545156863 517074990 /nfs/dbraw/zinc/07/49/90/517074990.db2.gz LANQZUMKDBRZQI-CYBMUJFWSA-N 1 0 351.422 2.858 20 5 FFBDRO Cc1cc(N2CCC[C@H]([NH2+][C@@H]3CCc4c3cccc4[N+](=O)[O-])C2)n(C)n1 ZINC000519643230 517101068 /nfs/dbraw/zinc/10/10/68/517101068.db2.gz GPVCIJDWTCAORW-WMLDXEAASA-N 1 0 355.442 2.883 20 5 FFBDRO O=C1CC[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)[C@H](C2CC2)N1 ZINC000559234417 517124766 /nfs/dbraw/zinc/12/47/66/517124766.db2.gz MVVBPAAWNAKPGH-ZFWWWQNUSA-N 1 0 357.332 2.760 20 5 FFBDRO CCC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)C1 ZINC000541815863 517229500 /nfs/dbraw/zinc/22/95/00/517229500.db2.gz BPJRFMLLNTZBEK-OAHLLOKOSA-N 1 0 369.487 2.564 20 5 FFBDRO CC(C)[NH+]1CCN([C@H]2CCN(c3c4ccccc4ncc3[N+](=O)[O-])C2)CC1 ZINC000515272377 517278260 /nfs/dbraw/zinc/27/82/60/517278260.db2.gz MXRBRJDTWBVUOL-INIZCTEOSA-N 1 0 369.469 2.748 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)n1 ZINC000541935115 517300066 /nfs/dbraw/zinc/30/00/66/517300066.db2.gz GOVPMIPYVVCHEP-IAGOWNOFSA-N 1 0 361.490 2.601 20 5 FFBDRO COc1ccc2c(c1)C[C@@H](C)[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]2C ZINC000541988929 517325762 /nfs/dbraw/zinc/32/57/62/517325762.db2.gz CSZAUZCPFQDNST-ZIAGYGMSSA-N 1 0 357.410 2.773 20 5 FFBDRO CCC(CC)[C@@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1C)[NH+](C)C ZINC000526328174 517370315 /nfs/dbraw/zinc/37/03/15/517370315.db2.gz IPFYPURFTFRUML-OAHLLOKOSA-N 1 0 357.476 2.548 20 5 FFBDRO C[NH+](C)C[C@H]1CCCCN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000520497917 517412160 /nfs/dbraw/zinc/41/21/60/517412160.db2.gz KXJMKDHVIURKJJ-MRXNPFEDSA-N 1 0 360.458 2.751 20 5 FFBDRO C[C@H](Cc1ccc(Cl)cc1Cl)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000515637131 517430434 /nfs/dbraw/zinc/43/04/34/517430434.db2.gz DHBBGDPGECYNPX-QMTHXVAHSA-N 1 0 373.240 2.680 20 5 FFBDRO C[C@@H](C(=O)NCCc1ccccc1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000549173778 517438403 /nfs/dbraw/zinc/43/84/03/517438403.db2.gz VBYBNYPQEHZOEQ-INIZCTEOSA-N 1 0 355.438 2.817 20 5 FFBDRO COc1ccc(NC(=O)C[NH2+]C2(c3ccc(F)cc3)CC2)c([N+](=O)[O-])c1 ZINC000533526440 517506489 /nfs/dbraw/zinc/50/64/89/517506489.db2.gz GIHMYWJOISLTKV-UHFFFAOYSA-N 1 0 359.357 2.960 20 5 FFBDRO CC[N@@H+]1CCCC[C@H]1CNc1ccc([N+](=O)[O-])c(N2CCOCC2)c1F ZINC000515915050 517511880 /nfs/dbraw/zinc/51/18/80/517511880.db2.gz NTGLBXPOVQYNGM-AWEZNQCLSA-N 1 0 366.437 2.857 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)c1 ZINC000549328487 517514703 /nfs/dbraw/zinc/51/47/03/517514703.db2.gz IJPMIYLHGUOSFV-MRXNPFEDSA-N 1 0 371.437 2.896 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCc2ccc(C[NH+](C)C)c(F)c2)n1 ZINC000553144864 517543093 /nfs/dbraw/zinc/54/30/93/517543093.db2.gz IZBSZSKHHASXDI-UHFFFAOYSA-N 1 0 362.361 2.589 20 5 FFBDRO COc1ccc(O[C@H](C)C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000562992995 517566656 /nfs/dbraw/zinc/56/66/56/517566656.db2.gz ZSRUVPZIODMWMB-CQSZACIVSA-N 1 0 373.409 2.989 20 5 FFBDRO Cn1cc([C@H](CO)[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)cn1 ZINC000533803781 517617484 /nfs/dbraw/zinc/61/74/84/517617484.db2.gz ZBKDWBWBCWJZEQ-HNNXBMFYSA-N 1 0 358.423 2.880 20 5 FFBDRO O=C1[C@@H]([NH+]2CCc3ccccc3CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000516208443 517618312 /nfs/dbraw/zinc/61/83/12/517618312.db2.gz AHUVIPZJFMSEKX-IBGZPJMESA-N 1 0 351.406 2.801 20 5 FFBDRO C[NH+](C)CCc1ccccc1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000527341660 517648977 /nfs/dbraw/zinc/64/89/77/517648977.db2.gz YBYNHMGBYNBJAW-UHFFFAOYSA-N 1 0 357.366 2.680 20 5 FFBDRO CSc1ccc(OC[C@@H](O)C[NH2+]CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000516454450 517697448 /nfs/dbraw/zinc/69/74/48/517697448.db2.gz QIRCSUQSZHWUEU-INIZCTEOSA-N 1 0 362.451 2.889 20 5 FFBDRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000542716193 517701626 /nfs/dbraw/zinc/70/16/26/517701626.db2.gz CSFJDPDBINJOBB-CYBMUJFWSA-N 1 0 350.394 2.930 20 5 FFBDRO Cc1ccccc1[C@@H]([C@@H](C)Nc1nccc(C(N)=O)c1[N+](=O)[O-])[NH+](C)C ZINC000516520874 517722703 /nfs/dbraw/zinc/72/27/03/517722703.db2.gz VRAVGXJJVJJRSQ-IUODEOHRSA-N 1 0 357.414 2.500 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@H](c2ccccc2F)C1 ZINC000549813503 517723051 /nfs/dbraw/zinc/72/30/51/517723051.db2.gz OZIGVOJUDQLXLP-LSDHHAIUSA-N 1 0 360.385 2.963 20 5 FFBDRO Cc1sc(C(=O)N(C)CCC[N@H+](C)Cc2ccncc2)cc1[N+](=O)[O-] ZINC000556934407 517757106 /nfs/dbraw/zinc/75/71/06/517757106.db2.gz VJYORHAYZAQTAI-UHFFFAOYSA-N 1 0 362.455 2.954 20 5 FFBDRO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000556938286 517761335 /nfs/dbraw/zinc/76/13/35/517761335.db2.gz PBVWBJBYSNKMEM-MRXNPFEDSA-N 1 0 370.356 2.804 20 5 FFBDRO O=C1C[C@@H](C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CN1C1CC1 ZINC000521632172 517804169 /nfs/dbraw/zinc/80/41/69/517804169.db2.gz VDGMGSIKMCQGHT-ZDUSSCGKSA-N 1 0 355.394 2.955 20 5 FFBDRO C[C@H](CNC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1)C[NH+](C)C ZINC000557063622 517831338 /nfs/dbraw/zinc/83/13/38/517831338.db2.gz RUMKJFKZOHDSDV-LSDHHAIUSA-N 1 0 362.474 2.759 20 5 FFBDRO C[N@@H+]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H](c2ccccc2)C1 ZINC000557163535 517894693 /nfs/dbraw/zinc/89/46/93/517894693.db2.gz VXWWFSDJARIGMZ-SFHVURJKSA-N 1 0 351.410 2.960 20 5 FFBDRO CC[C@H]([NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)C(F)(F)F ZINC000539045563 517895529 /nfs/dbraw/zinc/89/55/29/517895529.db2.gz BDLWUDIWHXTGTA-LJWDBELGSA-N 1 0 363.336 2.603 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC[C@H]([NH+]3CCOCC3)CC2)c2ncccc12 ZINC000563423065 517895808 /nfs/dbraw/zinc/89/58/08/517895808.db2.gz JRDJVVZDFODUPC-HNNXBMFYSA-N 1 0 356.426 2.834 20 5 FFBDRO C[C@H](O)C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000516956453 517939959 /nfs/dbraw/zinc/93/99/59/517939959.db2.gz IBLDRXYKNNPJFR-HNNXBMFYSA-N 1 0 357.410 2.806 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000543185954 517954304 /nfs/dbraw/zinc/95/43/04/517954304.db2.gz BKOBWQLZFRATCT-SJORKVTESA-N 1 0 372.421 2.735 20 5 FFBDRO COc1cc(C[NH2+]C[C@@H](CO)C2CCCCC2)c([N+](=O)[O-])cc1OC ZINC000550275043 517966140 /nfs/dbraw/zinc/96/61/40/517966140.db2.gz OHZKBUCBCBHURJ-HNNXBMFYSA-N 1 0 352.431 2.890 20 5 FFBDRO Cc1cc(C(=O)Nc2cccc(C[N@@H+]3CC[C@H](O)C3)c2)ccc1[N+](=O)[O-] ZINC000560677975 517967373 /nfs/dbraw/zinc/96/73/73/517967373.db2.gz ADNDEVUAYOKRLL-KRWDZBQOSA-N 1 0 355.394 2.722 20 5 FFBDRO CCCc1n[nH]c(C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](CC)C2)c1[N+](=O)[O-] ZINC000522064517 517974007 /nfs/dbraw/zinc/97/40/07/517974007.db2.gz KTWAFNJHRBYGEX-ZDUSSCGKSA-N 1 0 365.478 2.901 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H](CCCO)c1ccccc1 ZINC000539296066 517982123 /nfs/dbraw/zinc/98/21/23/517982123.db2.gz XDHDTKKVZGTXHS-MRXNPFEDSA-N 1 0 357.410 2.945 20 5 FFBDRO CCC[C@H]1CN(CCn2cc([N+](=O)[O-])cn2)CC[N@@H+]1Cc1ccccc1 ZINC000539422493 518041917 /nfs/dbraw/zinc/04/19/17/518041917.db2.gz PZDYQEXFMHQXCC-SFHVURJKSA-N 1 0 357.458 2.778 20 5 FFBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N(CCCc1ccccc1)CC[NH+](C)C ZINC000522265115 518053547 /nfs/dbraw/zinc/05/35/47/518053547.db2.gz YFFBRSDNYAOBNY-UHFFFAOYSA-N 1 0 358.442 2.570 20 5 FFBDRO CCc1ccc([C@H](NCC2(O)CC[NH+](C)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543403488 518073100 /nfs/dbraw/zinc/07/31/00/518073100.db2.gz UJDKPSPEZRTHTD-LJQANCHMSA-N 1 0 373.453 2.886 20 5 FFBDRO CCOC(=O)C1(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000543412664 518077839 /nfs/dbraw/zinc/07/78/39/518077839.db2.gz NLRGIKGQMCNFSB-UHFFFAOYSA-N 1 0 372.425 2.818 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC000539502769 518079756 /nfs/dbraw/zinc/07/97/56/518079756.db2.gz VYMOUFKAFWQTIQ-HOTGVXAUSA-N 1 0 363.458 2.909 20 5 FFBDRO COc1ccc(C[NH2+][C@H]2CC(=O)N(Cc3ccccc3)[C@H]2C)cc1[N+](=O)[O-] ZINC000547372372 518109355 /nfs/dbraw/zinc/10/93/55/518109355.db2.gz CZLSJSRJLMUMTC-YOEHRIQHSA-N 1 0 369.421 2.883 20 5 FFBDRO C[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1Oc2ccccc2[C@H]1C ZINC000543544068 518132373 /nfs/dbraw/zinc/13/23/73/518132373.db2.gz MCWZSAAADJZOHD-OHNQJVKOSA-N 1 0 372.421 2.877 20 5 FFBDRO C[C@@H]1CCCC[C@@H]1OCC[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000572558153 518246241 /nfs/dbraw/zinc/24/62/41/518246241.db2.gz UEMSMAFADJRGEH-INMHGKMJSA-N 1 0 352.431 2.519 20 5 FFBDRO O=[N+]([O-])c1ccc(OCC[NH2+]C[C@@H](O)Cc2cccc(Cl)c2)cc1 ZINC000569715703 518255672 /nfs/dbraw/zinc/25/56/72/518255672.db2.gz PQCWEXOBXMWZNL-INIZCTEOSA-N 1 0 350.802 2.820 20 5 FFBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]C[C@@H](O)COc3ccccc3F)c2c1 ZINC000575742855 518259159 /nfs/dbraw/zinc/25/91/59/518259159.db2.gz XIAHLDMTEFXHIE-OAHLLOKOSA-N 1 0 373.384 2.787 20 5 FFBDRO Cc1cc(NC[C@@H]2CCC3(CCOCC3)[C@H]2O)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000575884598 518329643 /nfs/dbraw/zinc/32/96/43/518329643.db2.gz LUTFQMPMCDAJAE-LIRRHRJNSA-N 1 0 371.437 2.853 20 5 FFBDRO CC[NH+]1C[C@@H](C)N(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000584416158 518331618 /nfs/dbraw/zinc/33/16/18/518331618.db2.gz OZTYHYORNJXNDO-CHWSQXEVSA-N 1 0 369.849 2.958 20 5 FFBDRO CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000567056348 518331781 /nfs/dbraw/zinc/33/17/81/518331781.db2.gz XNEVJBQCGQPUPW-KRWDZBQOSA-N 1 0 371.441 2.727 20 5 FFBDRO Cc1ncc2c(n1)CC[C@H]([NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)C2 ZINC000578721022 518340937 /nfs/dbraw/zinc/34/09/37/518340937.db2.gz IMLXBGPXODMNHZ-XIRDDKMYSA-N 1 0 356.430 2.521 20 5 FFBDRO CC[NH+](CC)Cc1ccc(-c2nc(-c3c([N+](=O)[O-])ncn3C)no2)cc1 ZINC000572800783 518366381 /nfs/dbraw/zinc/36/63/81/518366381.db2.gz OSCGNIURGFQXAD-UHFFFAOYSA-N 1 0 356.386 2.887 20 5 FFBDRO Cc1cccc(O[C@@H](C)C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000575981316 518372162 /nfs/dbraw/zinc/37/21/62/518372162.db2.gz GJJNSDFJMJQMTG-RDJZCZTQSA-N 1 0 360.410 2.700 20 5 FFBDRO CC(C)[N@@H+]1CCCN(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000567158205 518380050 /nfs/dbraw/zinc/38/00/50/518380050.db2.gz NIWUAUQKKSBCCC-UHFFFAOYSA-N 1 0 373.457 2.744 20 5 FFBDRO CC[N@@H+]1CCCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C2CC2)CC1 ZINC000570052093 518419582 /nfs/dbraw/zinc/41/95/82/518419582.db2.gz BAJXQCHPOFPMOT-UHFFFAOYSA-N 1 0 356.430 2.720 20 5 FFBDRO CN(C)c1ccccc1C[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000576143020 518448761 /nfs/dbraw/zinc/44/87/61/518448761.db2.gz HFHBCJNJDKBSCJ-QGZVFWFLSA-N 1 0 359.426 2.533 20 5 FFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](CO)C1CCOCC1 ZINC000581845091 518464659 /nfs/dbraw/zinc/46/46/59/518464659.db2.gz LFIGEJTVHPXTDR-LSDHHAIUSA-N 1 0 354.472 2.843 20 5 FFBDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000581856113 518469906 /nfs/dbraw/zinc/46/99/06/518469906.db2.gz CLKQURZDWUIURX-NWDGAFQWSA-N 1 0 357.838 2.860 20 5 FFBDRO O=[N+]([O-])c1cnc(NC[C@@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)nc1 ZINC000564484109 518470139 /nfs/dbraw/zinc/47/01/39/518470139.db2.gz GGBMTCZIWAFSIX-HNNXBMFYSA-N 1 0 361.833 2.927 20 5 FFBDRO O=C(CC[NH2+]C1CCN(CC(F)(F)F)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000576220311 518487919 /nfs/dbraw/zinc/48/79/19/518487919.db2.gz MCQJRIQBCXKGDX-UHFFFAOYSA-N 1 0 374.363 2.540 20 5 FFBDRO [NH3+]C1CCN(C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)CC1 ZINC000582061399 518571224 /nfs/dbraw/zinc/57/12/24/518571224.db2.gz PVQTWZBYWDDQIC-UHFFFAOYSA-N 1 0 357.360 2.523 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N3CCC[C@H]4C[NH2+]C[C@H]43)cc2[N+](=O)[O-])CC1 ZINC000582103043 518587998 /nfs/dbraw/zinc/58/79/98/518587998.db2.gz VOUSEZQUQHBMOB-QFBILLFUSA-N 1 0 372.469 2.655 20 5 FFBDRO CN1CCO[C@@H]2CC[N@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C[C@H]21 ZINC000585767606 518590531 /nfs/dbraw/zinc/59/05/31/518590531.db2.gz LSACHTBDMXOVIG-IEBWSBKVSA-N 1 0 357.410 2.760 20 5 FFBDRO C[C@@H](C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)Oc1cccc(F)c1 ZINC000564854394 518655235 /nfs/dbraw/zinc/65/52/35/518655235.db2.gz LYZRRUYUSOORAK-BBRMVZONSA-N 1 0 364.373 2.531 20 5 FFBDRO C[C@@H](CNC(=O)N(C)CCc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000570591084 518681324 /nfs/dbraw/zinc/68/13/24/518681324.db2.gz DQVRRWMYTQQORM-CVEARBPZSA-N 1 0 362.474 2.899 20 5 FFBDRO CCc1ccc(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](CC)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000567771051 518703199 /nfs/dbraw/zinc/70/31/99/518703199.db2.gz OCRJMEHEABPQPG-DZGCQCFKSA-N 1 0 369.487 2.651 20 5 FFBDRO C[C@H](CNC(=O)N(C)CCc1ccccc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000588159364 518738485 /nfs/dbraw/zinc/73/84/85/518738485.db2.gz QNRUANDCJXPYPV-MRXNPFEDSA-N 1 0 362.474 2.899 20 5 FFBDRO CC(C)[C@@H]1C[C@@H](C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c2ccccc21 ZINC000579583596 518750705 /nfs/dbraw/zinc/75/07/05/518750705.db2.gz AFKMBOZMUZOWPK-QOKNQOGYSA-N 1 0 358.442 2.669 20 5 FFBDRO C[C@@H]1C[N@@H+](C[C@H]2CCCN2c2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H](C)O1 ZINC000579674135 518793296 /nfs/dbraw/zinc/79/32/96/518793296.db2.gz JALAYFIFTSGFIH-VNHYZAJKSA-N 1 0 359.430 2.549 20 5 FFBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000573805197 518845304 /nfs/dbraw/zinc/84/53/04/518845304.db2.gz ZTVJLZPWWYWGRV-VHSXEESVSA-N 1 0 362.352 2.658 20 5 FFBDRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000588883358 518857208 /nfs/dbraw/zinc/85/72/08/518857208.db2.gz QLOWSTVZKJWBSL-MRXNPFEDSA-N 1 0 370.453 2.957 20 5 FFBDRO C[C@@H]1C[C@@H](C)N(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000579823983 518872637 /nfs/dbraw/zinc/87/26/37/518872637.db2.gz RQRVXMGECLMRQK-MXWKQRLJSA-N 1 0 370.247 2.803 20 5 FFBDRO CSC1(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC[NH+](C)CC1 ZINC000571011491 518883357 /nfs/dbraw/zinc/88/33/57/518883357.db2.gz GTDJVXZRCFDPTP-UHFFFAOYSA-N 1 0 363.439 2.898 20 5 FFBDRO C[NH+](C)CCOc1ccccc1-c1nc(-c2ccc(N)c([N+](=O)[O-])c2)no1 ZINC000589066305 518905232 /nfs/dbraw/zinc/90/52/32/518905232.db2.gz HFGZVHWUQOHSMW-UHFFFAOYSA-N 1 0 369.381 2.834 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@H]1CCCN(c2ccccc2)C1 ZINC000579943804 518931321 /nfs/dbraw/zinc/93/13/21/518931321.db2.gz SUYOSBFYTBUKGZ-WMZOPIPTSA-N 1 0 371.437 2.593 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@H]2CC[C@@H](c3ccccc3)O2)c1 ZINC000565416969 518944737 /nfs/dbraw/zinc/94/47/37/518944737.db2.gz LJYYUUSIPPGCFF-RLLQIKCJSA-N 1 0 372.421 2.844 20 5 FFBDRO [NH3+]CC12CCC(CC1)CN2C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000579971782 518945300 /nfs/dbraw/zinc/94/53/00/518945300.db2.gz ONIMRSSDXNVGGH-UHFFFAOYSA-N 1 0 357.332 2.957 20 5 FFBDRO COC[C@@]1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)OCCc2ccccc21 ZINC000589319707 518979522 /nfs/dbraw/zinc/97/95/22/518979522.db2.gz OHPWOTGMXVWXEH-LJQANCHMSA-N 1 0 360.385 2.938 20 5 FFBDRO CC[NH+]1C[C@H](C)N(C(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000565504860 518987806 /nfs/dbraw/zinc/98/78/06/518987806.db2.gz JHKRISHRRVFMFG-AVGNSLFASA-N 1 0 369.849 2.957 20 5 FFBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000589484934 519015265 /nfs/dbraw/zinc/01/52/65/519015265.db2.gz GFDCQFXTQMGVQK-KRWDZBQOSA-N 1 0 370.453 2.965 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(CN2CCC[N@@H+](C3CCCC3)CC2)c1 ZINC000589498608 519018081 /nfs/dbraw/zinc/01/80/81/519018081.db2.gz BKGDIAWADSMCFS-UHFFFAOYSA-N 1 0 361.442 2.832 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(CN2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000589495200 519018358 /nfs/dbraw/zinc/01/83/58/519018358.db2.gz YZWWTGIRAWYXDB-UHFFFAOYSA-N 1 0 361.442 2.689 20 5 FFBDRO C[C@@H]1C[NH+](CC2CCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)C[C@@H](C)O1 ZINC000574257133 519065282 /nfs/dbraw/zinc/06/52/82/519065282.db2.gz XSKXBESURGMWKC-ZIAGYGMSSA-N 1 0 373.457 2.797 20 5 FFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000577446153 519080851 /nfs/dbraw/zinc/08/08/51/519080851.db2.gz GIJAIOMIQYFMHV-OKILXGFUSA-N 1 0 364.446 2.778 20 5 FFBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]C[C@@H](CO)C1CCCCC1)OCCO2 ZINC000590194579 519170891 /nfs/dbraw/zinc/17/08/91/519170891.db2.gz LVHLTEZAFXELBE-HNNXBMFYSA-N 1 0 350.415 2.644 20 5 FFBDRO CCC[N@H+](C)[C@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000574476840 519173447 /nfs/dbraw/zinc/17/34/47/519173447.db2.gz BNEVUNWMDKADFZ-CQSZACIVSA-N 1 0 365.821 2.784 20 5 FFBDRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000590229342 519178109 /nfs/dbraw/zinc/17/81/09/519178109.db2.gz GQSKORACIYRODI-LLVKDONJSA-N 1 0 357.332 2.828 20 5 FFBDRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000580489100 519200146 /nfs/dbraw/zinc/20/01/46/519200146.db2.gz UZLLHGVBASIABN-OAHLLOKOSA-N 1 0 351.447 2.541 20 5 FFBDRO C[C@H]1C[C@@H](c2ccccc2)C[C@@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000580544668 519231126 /nfs/dbraw/zinc/23/11/26/519231126.db2.gz WNJRURYRIDSGNK-LKCYJCQHSA-N 1 0 358.442 2.714 20 5 FFBDRO CC[NH2+]CCCNC(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000571760689 519261884 /nfs/dbraw/zinc/26/18/84/519261884.db2.gz MOPNIONBALDJBP-GASCZTMLSA-N 1 0 362.474 2.807 20 5 FFBDRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNc1ccc(N)c([N+](=O)[O-])n1 ZINC000590571335 519270121 /nfs/dbraw/zinc/27/01/21/519270121.db2.gz AFKIZMFJHSLYMH-AWEZNQCLSA-N 1 0 355.442 2.980 20 5 FFBDRO CC1CCN(c2ccc(C(=O)NC[C@]3(C)CCC[NH2+]C3)cc2[N+](=O)[O-])CC1 ZINC000566099967 519298893 /nfs/dbraw/zinc/29/88/93/519298893.db2.gz KRPOVJSMMJIEDB-HXUWFJFHSA-N 1 0 374.485 2.951 20 5 FFBDRO Cc1c(CC(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000566104138 519302183 /nfs/dbraw/zinc/30/21/83/519302183.db2.gz ATTMKJZPQGETDI-MSOLQXFVSA-N 1 0 371.412 2.928 20 5 FFBDRO CC(C)[C@@H](CO)[C@@H]([NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C(C)C ZINC000590659171 519305389 /nfs/dbraw/zinc/30/53/89/519305389.db2.gz IOHKOYMZFFILNA-KDOFPFPSSA-N 1 0 352.431 2.745 20 5 FFBDRO O=C(Cc1ccccc1[N+](=O)[O-])NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000583559461 519310771 /nfs/dbraw/zinc/31/07/71/519310771.db2.gz RIEQKSDSSRRUIO-FUHWJXTLSA-N 1 0 371.412 2.786 20 5 FFBDRO Cc1c(NC(=O)N2CCC[C@H](C[NH3+])C2)cc(Br)cc1[N+](=O)[O-] ZINC000583612812 519339542 /nfs/dbraw/zinc/33/95/42/519339542.db2.gz SYFYODAWLSUUNX-SNVBAGLBSA-N 1 0 371.235 2.868 20 5 FFBDRO C[C@@H]1CN(C(=O)c2cc(F)cc3c2[nH]c2ccc(F)cc2c3=O)CC[C@@H]1[NH3+] ZINC000566201292 519366265 /nfs/dbraw/zinc/36/62/65/519366265.db2.gz OLYXLBQJSJJVAZ-HWPZZCPQSA-N 1 0 371.387 2.769 20 5 FFBDRO CC[NH2+]CCCNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000566203345 519367356 /nfs/dbraw/zinc/36/73/56/519367356.db2.gz LNRKELBLAFAOPO-UHFFFAOYSA-N 1 0 359.376 2.689 20 5 FFBDRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000566210628 519371043 /nfs/dbraw/zinc/37/10/43/519371043.db2.gz BNVLWLNBBSQDEH-MTICYGMRSA-N 1 0 372.450 2.964 20 5 FFBDRO Cc1ccccc1C1(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000583688418 519383191 /nfs/dbraw/zinc/38/31/91/519383191.db2.gz IKMWBPVTAKNXES-KRWDZBQOSA-N 1 0 356.422 2.964 20 5 FFBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000566252217 519393812 /nfs/dbraw/zinc/39/38/12/519393812.db2.gz QDHKISAFPRNELO-MRXNPFEDSA-N 1 0 369.874 2.942 20 5 FFBDRO [NH3+]C1(CNC(=O)CCOc2ccccc2[N+](=O)[O-])C2CC3CC(C2)CC1C3 ZINC000566258153 519397204 /nfs/dbraw/zinc/39/72/04/519397204.db2.gz PPQSAPJPTMWRFA-UHFFFAOYSA-N 1 0 373.453 2.634 20 5 FFBDRO CC[N@@H+]1CC[C@H]2OCCN(Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)[C@H]2C1 ZINC000578086210 519411516 /nfs/dbraw/zinc/41/15/16/519411516.db2.gz NZNSITRUHDULTC-JKSUJKDBSA-N 1 0 373.375 2.909 20 5 FFBDRO [NH3+]CCC1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000578139351 519438296 /nfs/dbraw/zinc/43/82/96/519438296.db2.gz GGALMNMAKKBPNQ-UHFFFAOYSA-N 1 0 357.863 2.928 20 5 FFBDRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C1CC1 ZINC000569229157 519445551 /nfs/dbraw/zinc/44/55/51/519445551.db2.gz AKMXVIKVNSOWFT-DYVFJYSZSA-N 1 0 368.441 2.861 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C2CCc3ccccc3CC2)c1 ZINC000575053255 519475252 /nfs/dbraw/zinc/47/52/52/519475252.db2.gz DPDYGTPUEMDYOK-LJQANCHMSA-N 1 0 356.422 2.872 20 5 FFBDRO O=C1CCCN1[C@H]1CCC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000591054546 519492926 /nfs/dbraw/zinc/49/29/26/519492926.db2.gz CETXEECNLUISDN-INIZCTEOSA-N 1 0 361.442 2.841 20 5 FFBDRO COc1ccccc1[C@]1(C)C[C@@H]1[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000581126783 519536927 /nfs/dbraw/zinc/53/69/27/519536927.db2.gz DDIVRBWQBCIOTB-YSSFQJQWSA-N 1 0 372.421 2.663 20 5 FFBDRO Cc1c(NC(=O)NC[C@H]2CCCC[NH2+]2)cc(Br)cc1[N+](=O)[O-] ZINC000591304221 519581897 /nfs/dbraw/zinc/58/18/97/519581897.db2.gz UGUBHKYPKSHXJF-LLVKDONJSA-N 1 0 371.235 2.929 20 5 FFBDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000566638469 519589838 /nfs/dbraw/zinc/58/98/38/519589838.db2.gz JJGYDRCRBYWJMJ-ZDUSSCGKSA-N 1 0 363.414 2.708 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@H]2CCOc3ccc(F)cc32)c1 ZINC000591735572 520015706 /nfs/dbraw/zinc/01/57/06/520015706.db2.gz MEFVRUHVBXUEOF-YOEHRIQHSA-N 1 0 362.357 2.587 20 5 FFBDRO CCC(C)(C)[NH+]1CCN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CC1 ZINC000594595102 520043341 /nfs/dbraw/zinc/04/33/41/520043341.db2.gz RTMBEEFWYTUNRI-UHFFFAOYSA-N 1 0 360.458 2.798 20 5 FFBDRO O=C(NC1CC1)c1ccc(N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c([N+](=O)[O-])c1 ZINC000594604473 520050155 /nfs/dbraw/zinc/05/01/55/520050155.db2.gz ZORZQZBNOXUCOE-NVXWUHKLSA-N 1 0 358.442 2.916 20 5 FFBDRO Cc1c(Br)cc(C(=O)N[C@@H]2CCC[C@H]2[NH+](C)C)cc1[N+](=O)[O-] ZINC000597531368 520086644 /nfs/dbraw/zinc/08/66/44/520086644.db2.gz DLGNRAOFZYGDHY-CHWSQXEVSA-N 1 0 370.247 2.878 20 5 FFBDRO CCOC(=O)Cc1ccc(NCC2CC[NH+](C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000591935091 520095578 /nfs/dbraw/zinc/09/55/78/520095578.db2.gz DPPNOMJVEWXIOL-UHFFFAOYSA-N 1 0 361.442 2.987 20 5 FFBDRO COC(=O)Cc1ccc(C[NH2+]Cc2cc(OC)c(OC)cc2[N+](=O)[O-])cc1 ZINC000600186160 520108334 /nfs/dbraw/zinc/10/83/34/520108334.db2.gz ALURESMHSNFBIX-UHFFFAOYSA-N 1 0 374.393 2.617 20 5 FFBDRO O=C(NCC12CCC[NH+]1CCC2)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000597589644 520122792 /nfs/dbraw/zinc/12/27/92/520122792.db2.gz WDIVZCMYEFOOCG-UHFFFAOYSA-N 1 0 357.332 2.972 20 5 FFBDRO CCCN(C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CC[N@H+](C)C1 ZINC000592004879 520130134 /nfs/dbraw/zinc/13/01/34/520130134.db2.gz CAEAIWYSMICAEO-OAHLLOKOSA-N 1 0 368.865 2.916 20 5 FFBDRO C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000597680598 520172389 /nfs/dbraw/zinc/17/23/89/520172389.db2.gz XENDZLIEJFFUSP-CYBMUJFWSA-N 1 0 373.409 2.666 20 5 FFBDRO C[C@H]1C[C@H](C)CN(c2ccc(C(=O)N3CC(C[NH+](C)C)C3)cc2[N+](=O)[O-])C1 ZINC000597709574 520189999 /nfs/dbraw/zinc/18/99/99/520189999.db2.gz YHCHOLRRBLSIDV-GJZGRUSLSA-N 1 0 374.485 2.711 20 5 FFBDRO C[N@@H+]1CCCC[C@H](CNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000600316262 520200946 /nfs/dbraw/zinc/20/09/46/520200946.db2.gz YPWGZRZLSYUUON-CYBMUJFWSA-N 1 0 369.849 2.865 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccc(CNC(C)=O)cc1 ZINC000594950110 520227180 /nfs/dbraw/zinc/22/71/80/520227180.db2.gz ICNOYFXCGCONOZ-UHFFFAOYSA-N 1 0 357.410 2.919 20 5 FFBDRO COc1ccc(C[N@@H+]2CC[C@@H](C(=O)NCc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000592155560 520231307 /nfs/dbraw/zinc/23/13/07/520231307.db2.gz OYDKMAMPWPGLAC-QGZVFWFLSA-N 1 0 369.421 2.742 20 5 FFBDRO COc1ccc(OCC[NH2+][C@H](CCO)c2ccccc2F)c([N+](=O)[O-])c1 ZINC000592161657 520236675 /nfs/dbraw/zinc/23/66/75/520236675.db2.gz RGAPBFDIPGOBRH-MRXNPFEDSA-N 1 0 364.373 2.835 20 5 FFBDRO C[C@@H]1COCC[N@@H+]1C1CCN(c2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000603400384 520247318 /nfs/dbraw/zinc/24/73/18/520247318.db2.gz HDEXKNRYJMDOOL-CQSZACIVSA-N 1 0 356.426 2.833 20 5 FFBDRO COc1cc(C[NH2+]CC2(CC(N)=O)CCCCC2)c([N+](=O)[O-])cc1OC ZINC000595001732 520250524 /nfs/dbraw/zinc/25/05/24/520250524.db2.gz WPTFBPVGMMIEKI-UHFFFAOYSA-N 1 0 365.430 2.528 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H](C(C)C)N1CCOCC1 ZINC000595003734 520252134 /nfs/dbraw/zinc/25/21/34/520252134.db2.gz KZFCVEGJXHZPNE-WMLDXEAASA-N 1 0 351.447 2.611 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCOC2(CCOCC2)C1 ZINC000595021896 520260930 /nfs/dbraw/zinc/26/09/30/520260930.db2.gz GMXNXOMBGQLZPK-UONOGXRCSA-N 1 0 350.415 2.982 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCO[C@@H](c2nccn2C)C1 ZINC000595051255 520270318 /nfs/dbraw/zinc/27/03/18/520270318.db2.gz MNEUVBNEFGHJTQ-OGHNNQOOSA-N 1 0 360.414 2.908 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC1(S(C)(=O)=O)CCCC1 ZINC000595052302 520270546 /nfs/dbraw/zinc/27/05/46/520270546.db2.gz WYJLPPVMZOOFSK-GFCCVEGCSA-N 1 0 356.444 2.611 20 5 FFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCC[C@H]([S@@](C)=O)C1 ZINC000595059537 520273496 /nfs/dbraw/zinc/27/34/96/520273496.db2.gz FBVVKMPQQJHCKA-GZVDBTBWSA-N 1 0 367.471 2.591 20 5 FFBDRO O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000600470895 520278488 /nfs/dbraw/zinc/27/84/88/520278488.db2.gz JOBZAGAWPVBHOJ-MRXNPFEDSA-N 1 0 369.425 2.527 20 5 FFBDRO NC(=O)c1csc(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])n1 ZINC000595080749 520284270 /nfs/dbraw/zinc/28/42/70/520284270.db2.gz AFTSHMURFKGQEA-YPMHNXCESA-N 1 0 360.439 2.651 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000597859374 520286136 /nfs/dbraw/zinc/28/61/36/520286136.db2.gz CZLFZJHZQNEWAS-CQSZACIVSA-N 1 0 371.441 2.631 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C1 ZINC000597860968 520289273 /nfs/dbraw/zinc/28/92/73/520289273.db2.gz QMCVPEPNWTVAEC-ZDUSSCGKSA-N 1 0 371.441 2.835 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000592252171 520290486 /nfs/dbraw/zinc/29/04/86/520290486.db2.gz UMIYDALNMSZSGJ-UHFFFAOYSA-N 1 0 362.430 2.540 20 5 FFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CC2(O)CCC(F)(F)CC2)n1 ZINC000595093736 520291017 /nfs/dbraw/zinc/29/10/17/520291017.db2.gz OSBLESMGCZUCCL-OLZOCXBDSA-N 1 0 358.389 2.805 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC(C)(C)[C@@]1(O)CCCOC1 ZINC000595093494 520291461 /nfs/dbraw/zinc/29/14/61/520291461.db2.gz BMRBVPIDMAXERI-FZKQIMNGSA-N 1 0 352.431 2.822 20 5 FFBDRO COC1CC[NH+](C(C)(C)CNC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000609353785 520293423 /nfs/dbraw/zinc/29/34/23/520293423.db2.gz OXZCPHBMRKXZIW-UHFFFAOYSA-N 1 0 350.419 2.606 20 5 FFBDRO COc1ccc(C[NH+](C)C)cc1NC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000603589769 520317178 /nfs/dbraw/zinc/31/71/78/520317178.db2.gz AFSFAHKDFQEQHH-UHFFFAOYSA-N 1 0 359.382 2.926 20 5 FFBDRO CC[C@H]1CN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC[C@@H]1[NH3+] ZINC000592331901 520338916 /nfs/dbraw/zinc/33/89/16/520338916.db2.gz CAPFWYOFPLMEQL-FZMZJTMJSA-N 1 0 360.439 2.918 20 5 FFBDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000609549648 520354380 /nfs/dbraw/zinc/35/43/80/520354380.db2.gz GBCDLUBNQNFCCC-CHWSQXEVSA-N 1 0 372.425 2.841 20 5 FFBDRO Cc1c(Br)cc(C(=O)NCC[C@@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000597992012 520366359 /nfs/dbraw/zinc/36/63/59/520366359.db2.gz IJQSHUZSLLBDOP-SECBINFHSA-N 1 0 358.236 2.736 20 5 FFBDRO CCOc1ccc([C@@H](C)[NH2+]CC(C)(C)[C@]2(O)CCOC2)cc1[N+](=O)[O-] ZINC000592398152 520368826 /nfs/dbraw/zinc/36/88/26/520368826.db2.gz QBFGKQYFQKUEMI-ACJLOTCBSA-N 1 0 352.431 2.822 20 5 FFBDRO Cc1nccc([C@H]2CCC[N@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000603834241 520371360 /nfs/dbraw/zinc/37/13/60/520371360.db2.gz NAJMODOOHAIZQX-HNNXBMFYSA-N 1 0 369.425 2.901 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC000595254581 520373532 /nfs/dbraw/zinc/37/35/32/520373532.db2.gz ZVVCTBYJFIKLQR-HNNXBMFYSA-N 1 0 369.421 2.912 20 5 FFBDRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000595256701 520374709 /nfs/dbraw/zinc/37/47/09/520374709.db2.gz QUVFUDWXJISDDA-ROUUACIJSA-N 1 0 369.421 2.787 20 5 FFBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595262714 520378268 /nfs/dbraw/zinc/37/82/68/520378268.db2.gz BLOOEYSBAJUTBT-KRWDZBQOSA-N 1 0 360.458 2.559 20 5 FFBDRO COc1cc(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)ccc1[N+](=O)[O-] ZINC000595271386 520381578 /nfs/dbraw/zinc/38/15/78/520381578.db2.gz ZEFBLLLPBOUDGH-HZPDHXFCSA-N 1 0 373.384 2.618 20 5 FFBDRO Cn1cc(CN2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000592426371 520385961 /nfs/dbraw/zinc/38/59/61/520385961.db2.gz ZHRASMKHLCLPAC-VQIMIIECSA-N 1 0 369.469 2.959 20 5 FFBDRO O=C(CN1CCC[C@H]([C@H]2CCC[NH2+]2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000592476026 520405579 /nfs/dbraw/zinc/40/55/79/520405579.db2.gz LPJUCLDLOUUNAY-GXTWGEPZSA-N 1 0 366.849 2.651 20 5 FFBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592554626 520452761 /nfs/dbraw/zinc/45/27/61/520452761.db2.gz LIZJKCGNFKCALO-HUUCEWRRSA-N 1 0 363.483 2.925 20 5 FFBDRO Cc1c(CNC(=O)C2(c3ccccc3)CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000592563057 520455494 /nfs/dbraw/zinc/45/54/94/520455494.db2.gz OYKZIXIXJOQWCH-UHFFFAOYSA-N 1 0 353.422 2.841 20 5 FFBDRO CCN(CC[NH3+])Cc1ccc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000600774587 520461195 /nfs/dbraw/zinc/46/11/95/520461195.db2.gz LDDMGGOSLPEMMA-UHFFFAOYSA-N 1 0 359.426 2.963 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](CO)[C@@H](C)c1ccccc1 ZINC000613390233 520481752 /nfs/dbraw/zinc/48/17/52/520481752.db2.gz ZTWXIQATLMZWPZ-KXBFYZLASA-N 1 0 371.437 2.986 20 5 FFBDRO CC(C)[N@H+](C)CC1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000604441931 520563316 /nfs/dbraw/zinc/56/33/16/520563316.db2.gz WZBDXEUICZNUIK-UHFFFAOYSA-N 1 0 359.430 2.664 20 5 FFBDRO C[NH+](C)CCOc1cccc(NC(=O)NCc2cccc([N+](=O)[O-])c2)c1 ZINC000604475026 520571562 /nfs/dbraw/zinc/57/15/62/520571562.db2.gz MTGPMFXDUXVODL-UHFFFAOYSA-N 1 0 358.398 2.857 20 5 FFBDRO C[N@@H+]1C[C@@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)[C@H](c2ccccc2)C1 ZINC000592881212 520631769 /nfs/dbraw/zinc/63/17/69/520631769.db2.gz LOIYMACHPPUBDB-QAPCUYQASA-N 1 0 357.385 2.809 20 5 FFBDRO Cc1c(C(=O)NC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000592883086 520633478 /nfs/dbraw/zinc/63/34/78/520633478.db2.gz VUUPZGOSELEEGS-AEFFLSMTSA-N 1 0 353.422 2.978 20 5 FFBDRO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CCC([NH+]2CCCCC2)CC1 ZINC000601105840 520637983 /nfs/dbraw/zinc/63/79/83/520637983.db2.gz OEXOBPDHEIJSPN-UHFFFAOYSA-N 1 0 361.368 2.802 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC2(CCCC2)OC[C@H]1C[NH+](C)C ZINC000598536790 520688840 /nfs/dbraw/zinc/68/88/40/520688840.db2.gz XBMAYNNUDZELPI-MRXNPFEDSA-N 1 0 361.442 2.619 20 5 FFBDRO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)c1cc([N+](=O)[O-])cn1C ZINC000610445706 520691069 /nfs/dbraw/zinc/69/10/69/520691069.db2.gz FGJYQWSHZOWKJA-OAHLLOKOSA-N 1 0 356.426 2.670 20 5 FFBDRO COc1ccc([C@@H]2CCC[N@@H+]2CCn2cc([N+](=O)[O-])ccc2=O)cc1F ZINC000595754153 520699801 /nfs/dbraw/zinc/69/98/01/520699801.db2.gz VNQSEWIRIBXRDB-INIZCTEOSA-N 1 0 361.373 2.741 20 5 FFBDRO O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000598557998 520703784 /nfs/dbraw/zinc/70/37/84/520703784.db2.gz BEJPQZMATHPFKE-ZYSHUDEJSA-N 1 0 357.454 2.937 20 5 FFBDRO C[C@@H]1C[N@@H+](C[C@H]2CCCN2Cc2ccc([N+](=O)[O-])cc2F)C[C@H](C)O1 ZINC000610476288 520704903 /nfs/dbraw/zinc/70/49/03/520704903.db2.gz VASYXCZOHKUADB-JKIFEVAISA-N 1 0 351.422 2.808 20 5 FFBDRO COc1cccc([C@@]2(C)CC[N@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)c1 ZINC000595766909 520709367 /nfs/dbraw/zinc/70/93/67/520709367.db2.gz MTZSCOZJJDTUFZ-FQEVSTJZSA-N 1 0 369.421 2.866 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC[N@H+](C[C@H]3CCCO3)CC2)c2ccncc21 ZINC000610489252 520712312 /nfs/dbraw/zinc/71/23/12/520712312.db2.gz SNOBOYBTUWUBDX-OAHLLOKOSA-N 1 0 356.426 2.834 20 5 FFBDRO COC(=O)c1ccnc(N2CCC[C@@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)c1[N+](=O)[O-] ZINC000598589281 520729774 /nfs/dbraw/zinc/72/97/74/520729774.db2.gz HQCRZAVVTBZFKD-HZSPNIEDSA-N 1 0 362.430 2.618 20 5 FFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)CCC[NH+]1CCCC1 ZINC000601314356 520737208 /nfs/dbraw/zinc/73/72/08/520737208.db2.gz DFYDGRXJLCCYBJ-UHFFFAOYSA-N 1 0 369.487 2.621 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N3C[C@H]4CCC[C@]4([NH3+])C3)cc2[N+](=O)[O-])CC1 ZINC000598667126 520774397 /nfs/dbraw/zinc/77/43/97/520774397.db2.gz CSBNZTWXXNXROC-UZLBHIALSA-N 1 0 372.469 2.785 20 5 FFBDRO Cc1ccc(S(=O)(=O)N(CCC[NH3+])CC2CCCC2)c(C)c1[N+](=O)[O-] ZINC000598714682 520806660 /nfs/dbraw/zinc/80/66/60/520806660.db2.gz IDQJXQOFGFUBTM-UHFFFAOYSA-N 1 0 369.487 2.741 20 5 FFBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000595901449 520808490 /nfs/dbraw/zinc/80/84/90/520808490.db2.gz WHJYQDZABYKXMV-GOEBONIOSA-N 1 0 360.458 2.633 20 5 FFBDRO C[C@@H]1C[N@H+](C)[C@H](C)[C@@H](C)N1C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000593188303 520810242 /nfs/dbraw/zinc/81/02/42/520810242.db2.gz BXNMYMAESILWCW-GMTAPVOTSA-N 1 0 370.247 2.910 20 5 FFBDRO CCOc1cc(CN2CCO[C@H](CCC[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000595905264 520811551 /nfs/dbraw/zinc/81/15/51/520811551.db2.gz AVDSCNLDNUUNMI-MRXNPFEDSA-N 1 0 351.447 2.536 20 5 FFBDRO C[C@@H]1C[N@H+](C)[C@H](C)[C@H](C)N1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000593188805 520812810 /nfs/dbraw/zinc/81/28/10/520812810.db2.gz QBULVCHSGGLTMK-MXWKQRLJSA-N 1 0 370.247 2.910 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CC2CC1(c1ccccc1)C2 ZINC000595910631 520815168 /nfs/dbraw/zinc/81/51/68/520815168.db2.gz WKANZBPEORTUCG-CMVHYPBASA-N 1 0 354.406 2.956 20 5 FFBDRO [NH3+]C[C@H]1CCCc2ccc(C(=O)NCCNc3ccc([N+](=O)[O-])cc3)cc21 ZINC000595915733 520821221 /nfs/dbraw/zinc/82/12/21/520821221.db2.gz MSIHDVUZPZJUOQ-MRXNPFEDSA-N 1 0 368.437 2.815 20 5 FFBDRO C[NH+](C)C[C@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)c2ccccc2O1 ZINC000610761868 520833602 /nfs/dbraw/zinc/83/36/02/520833602.db2.gz IPEFOFDEFUDZBJ-HNNXBMFYSA-N 1 0 359.357 2.703 20 5 FFBDRO [NH3+]C[C@@H]1OCC[C@@H]1C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000595943210 520833785 /nfs/dbraw/zinc/83/37/85/520833785.db2.gz HMMHIWPCLXDMKB-IRXDYDNUSA-N 1 0 357.366 2.689 20 5 FFBDRO Nc1ccc(N2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)nc1[N+](=O)[O-] ZINC000596015925 520860783 /nfs/dbraw/zinc/86/07/83/520860783.db2.gz KAROWRCRJVNASJ-DOTOQJQBSA-N 1 0 355.442 2.749 20 5 FFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CNc2ccccc2C1 ZINC000593318224 520904456 /nfs/dbraw/zinc/90/44/56/520904456.db2.gz BSCOXNWHANSKIO-BBRMVZONSA-N 1 0 354.410 2.938 20 5 FFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000598916497 520915883 /nfs/dbraw/zinc/91/58/83/520915883.db2.gz ZVTMGRKULJTJHP-CHWSQXEVSA-N 1 0 350.394 2.977 20 5 FFBDRO CC1(C)CN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC[N@@H+]1Cc1ccccc1 ZINC000596115249 520921076 /nfs/dbraw/zinc/92/10/76/520921076.db2.gz SAFNKGWJKOOIRG-UHFFFAOYSA-N 1 0 368.437 2.795 20 5 FFBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000601728163 520921496 /nfs/dbraw/zinc/92/14/96/520921496.db2.gz NSFWRGGTONMBIR-INIZCTEOSA-N 1 0 371.441 2.503 20 5 FFBDRO CCc1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])c(C(N)=O)c3)CC2)s1 ZINC000596134051 520932704 /nfs/dbraw/zinc/93/27/04/520932704.db2.gz KBUMPOQNNVWVHH-UHFFFAOYSA-N 1 0 374.466 2.640 20 5 FFBDRO CN(c1ccc([N+](=O)[O-])c(C(N)=O)c1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000596146590 520938086 /nfs/dbraw/zinc/93/80/86/520938086.db2.gz DZGOGDMXEIPDJI-QGZVFWFLSA-N 1 0 368.437 2.795 20 5 FFBDRO CN(c1ccc([N+](=O)[O-])c(C(N)=O)c1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000596146589 520938283 /nfs/dbraw/zinc/93/82/83/520938283.db2.gz DZGOGDMXEIPDJI-KRWDZBQOSA-N 1 0 368.437 2.795 20 5 FFBDRO COc1cc(C[NH2+]C[C@@H]2Cc3ccccc3CO2)c([N+](=O)[O-])cc1OC ZINC000598988858 520962757 /nfs/dbraw/zinc/96/27/57/520962757.db2.gz CWBNXZULUNVGQP-INIZCTEOSA-N 1 0 358.394 2.843 20 5 FFBDRO O=C(NCCc1ccccc1[N+](=O)[O-])NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000598994718 520967074 /nfs/dbraw/zinc/96/70/74/520967074.db2.gz HSJMIJIPZNUGBX-KRWDZBQOSA-N 1 0 360.458 2.844 20 5 FFBDRO C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCS1(=O)=O ZINC000599003208 520972812 /nfs/dbraw/zinc/97/28/12/520972812.db2.gz DZRCDUHSZGYYCQ-BXUZGUMPSA-N 1 0 350.396 2.520 20 5 FFBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596218886 520977312 /nfs/dbraw/zinc/97/73/12/520977312.db2.gz NGNUZEYLAQDVMC-GUYCJALGSA-N 1 0 354.410 2.626 20 5 FFBDRO COC(=O)c1c(Cl)c(N2CCC3(C2)CC[NH+](C)CC3)ccc1[N+](=O)[O-] ZINC000596239225 520987734 /nfs/dbraw/zinc/98/77/34/520987734.db2.gz ZXCXOGCQYWKORJ-UHFFFAOYSA-N 1 0 367.833 2.957 20 5 FFBDRO COC(=O)c1c(Cl)c(N2CC[C@@]3(CC[N@H+](C)C3)C2)ccc1[N+](=O)[O-] ZINC000596242778 520989764 /nfs/dbraw/zinc/98/97/64/520989764.db2.gz YLDSKDXIOFCMCU-MRXNPFEDSA-N 1 0 353.806 2.567 20 5 FFBDRO C[C@@H](Nc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)C1CC[NH+](C)CC1 ZINC000599044247 520996802 /nfs/dbraw/zinc/99/68/02/520996802.db2.gz NWARCOKYFWTVRN-CQSZACIVSA-N 1 0 360.458 2.973 20 5 FFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1CCCN1CC(F)F ZINC000599066610 521011640 /nfs/dbraw/zinc/01/16/40/521011640.db2.gz SZQFGHJPAGNCGI-DOMZBBRYSA-N 1 0 370.400 2.631 20 5 FFBDRO Cn1c(=O)oc2ccc(C[NH2+][C@@H]3CCCC[C@H]3n3ccc([N+](=O)[O-])n3)cc21 ZINC000599078632 521019692 /nfs/dbraw/zinc/01/96/92/521019692.db2.gz DNAFALVVGJAYCM-ZIAGYGMSSA-N 1 0 371.397 2.510 20 5 FFBDRO Cc1cc(N2CCO[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]32)ncc1[N+](=O)[O-] ZINC000593496676 521032964 /nfs/dbraw/zinc/03/29/64/521032964.db2.gz VRLFQICXLHGHHM-RBUKOAKNSA-N 1 0 368.437 2.778 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)cc1SC ZINC000601975181 521051296 /nfs/dbraw/zinc/05/12/96/521051296.db2.gz MCAFCTIBJAXCEQ-NSHDSACASA-N 1 0 367.471 2.833 20 5 FFBDRO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C2 ZINC000601977492 521052812 /nfs/dbraw/zinc/05/28/12/521052812.db2.gz UVKLLPGDATTYDK-GASCZTMLSA-N 1 0 357.332 2.685 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+]2CCC(c3cccnc3)CC2)c1 ZINC000611258741 521062580 /nfs/dbraw/zinc/06/25/80/521062580.db2.gz HNPJRTYENCYSJI-GOSISDBHSA-N 1 0 357.410 2.609 20 5 FFBDRO COC(=O)c1c(Cl)c(NCCN2C[C@H](C)OC[C@H]2C)ccc1[N+](=O)[O-] ZINC000596432189 521068310 /nfs/dbraw/zinc/06/83/10/521068310.db2.gz RCXZTOLZEKICPO-MNOVXSKESA-N 1 0 371.821 2.556 20 5 FFBDRO O=C(NCC1CC[NH+](C2CCOCC2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000596443366 521072527 /nfs/dbraw/zinc/07/25/27/521072527.db2.gz GZNSAVIGLMPQCP-UHFFFAOYSA-N 1 0 362.430 2.607 20 5 FFBDRO CCOc1cc(NC[C@H]2CN(Cc3ccncc3)CCO2)ccc1[N+](=O)[O-] ZINC000599183391 521075363 /nfs/dbraw/zinc/07/53/63/521075363.db2.gz LVWKCOOEODFBKH-KRWDZBQOSA-N 1 0 372.425 2.701 20 5 FFBDRO C[N@@H+]1CC[C@H](NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000593559782 521076307 /nfs/dbraw/zinc/07/63/07/521076307.db2.gz NMFMADGXWJCLPV-LPHOPBHVSA-N 1 0 357.385 2.838 20 5 FFBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000596462803 521085170 /nfs/dbraw/zinc/08/51/70/521085170.db2.gz TUQFJJSHJNXGDQ-KRWDZBQOSA-N 1 0 357.458 2.873 20 5 FFBDRO CCOC(=O)c1ccnc(N[C@@H](C)C[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000596488637 521096506 /nfs/dbraw/zinc/09/65/06/521096506.db2.gz RVYAONDFZMYRJM-ZDUSSCGKSA-N 1 0 350.419 2.699 20 5 FFBDRO CN(C)c1nc(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cs1 ZINC000618571603 521129565 /nfs/dbraw/zinc/12/95/65/521129565.db2.gz XAFOTHLUBXBEDR-QWHCGFSZSA-N 1 0 350.448 2.587 20 5 FFBDRO Cn1nc(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c2ccccc21 ZINC000618575539 521131721 /nfs/dbraw/zinc/13/17/21/521131721.db2.gz PDTGOBHFXKVBNO-RHSMWYFYSA-N 1 0 354.414 2.952 20 5 FFBDRO O=[N+]([O-])c1cncc(Br)c1NCC1CC[NH+](CC2CC2)CC1 ZINC000596564430 521134081 /nfs/dbraw/zinc/13/40/81/521134081.db2.gz YHBROTKTQQKLRE-UHFFFAOYSA-N 1 0 369.263 2.708 20 5 FFBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000596567353 521134919 /nfs/dbraw/zinc/13/49/19/521134919.db2.gz TZUYNKFAQBUROI-HNNXBMFYSA-N 1 0 374.441 2.699 20 5 FFBDRO Cn1c(=O)ccc2c1CCC[C@H]2[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000593725907 521178316 /nfs/dbraw/zinc/17/83/16/521178316.db2.gz ZERKVPYDFVXMLH-HLLBOEOZSA-N 1 0 371.441 2.641 20 5 FFBDRO O=C([C@H]1CCC[N@@H+]1Cc1ccccc1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000611484802 521181311 /nfs/dbraw/zinc/18/13/11/521181311.db2.gz MVFYFVGNAGOUTQ-LJQANCHMSA-N 1 0 366.421 2.539 20 5 FFBDRO CCOc1cc(NC(=O)NCC[C@H](C)[NH+](C)C)c([N+](=O)[O-])cc1OCC ZINC000596660158 521195772 /nfs/dbraw/zinc/19/57/72/521195772.db2.gz VZMIWOJHDNILOJ-LBPRGKRZSA-N 1 0 368.434 2.854 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000593763299 521200913 /nfs/dbraw/zinc/20/09/13/521200913.db2.gz JBVIWBKGHGQRAU-JJRVBVJISA-N 1 0 362.430 2.653 20 5 FFBDRO CCCC[N@H+](C)CC1CCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)CC1 ZINC000611525461 521203091 /nfs/dbraw/zinc/20/30/91/521203091.db2.gz DQDVVXVLEMOAGI-UHFFFAOYSA-N 1 0 350.463 2.618 20 5 FFBDRO CN(CC[NH+]1CCCCC1)C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000593884872 521271562 /nfs/dbraw/zinc/27/15/62/521271562.db2.gz XUOKPUPSANNQJX-UHFFFAOYSA-N 1 0 371.441 2.553 20 5 FFBDRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000593918793 521290643 /nfs/dbraw/zinc/29/06/43/521290643.db2.gz JHZNDLGYXBLFBA-IVMMDQJWSA-N 1 0 367.833 2.749 20 5 FFBDRO Cc1c(NC(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000599597182 521320911 /nfs/dbraw/zinc/32/09/11/521320911.db2.gz VFEDCAZYPKLPMW-MNOVXSKESA-N 1 0 360.336 2.894 20 5 FFBDRO O=C(CC[N@@H+]1CCc2nc(C3CC3)ncc2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000599619305 521337570 /nfs/dbraw/zinc/33/75/70/521337570.db2.gz GNXRXXBRZXJGKJ-UHFFFAOYSA-N 1 0 367.409 2.649 20 5 FFBDRO CC(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602430597 521341937 /nfs/dbraw/zinc/34/19/37/521341937.db2.gz JLPQERBIWLYTCS-LBPRGKRZSA-N 1 0 359.348 2.962 20 5 FFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1CN1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000602485287 521373138 /nfs/dbraw/zinc/37/31/38/521373138.db2.gz XIDREEGPSJAOMQ-ZDUSSCGKSA-N 1 0 373.375 2.768 20 5 FFBDRO C[NH+](C)[C@@H](CNCc1nc2cc([N+](=O)[O-])ccc2o1)Cc1ccccc1 ZINC000602503312 521384942 /nfs/dbraw/zinc/38/49/42/521384942.db2.gz LURCQKWQMYZGRE-MRXNPFEDSA-N 1 0 354.410 2.999 20 5 FFBDRO C[C@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)N1CCC[C@H](C)C1 ZINC000602514455 521387708 /nfs/dbraw/zinc/38/77/08/521387708.db2.gz JOFTZWNYYFOLOD-JKSUJKDBSA-N 1 0 361.490 2.669 20 5 FFBDRO C[C@@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)N1CCCC[C@H]1C ZINC000602513211 521387733 /nfs/dbraw/zinc/38/77/33/521387733.db2.gz ARNDWKRDYSJGIZ-CVEARBPZSA-N 1 0 361.490 2.811 20 5 FFBDRO C[C@H](Cc1cccc(O)c1)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602550785 521408526 /nfs/dbraw/zinc/40/85/26/521408526.db2.gz MYSDTWHZUYZXGY-CQSZACIVSA-N 1 0 356.426 2.885 20 5 FFBDRO Cc1cc(NCCNC(=O)Nc2cc([N+](=O)[O-])ccc2C)nc(C(C)C)n1 ZINC000599697433 521409032 /nfs/dbraw/zinc/40/90/32/521409032.db2.gz YXRSWQOKNJGBQB-UHFFFAOYSA-N 1 0 372.429 2.781 20 5 FFBDRO COCC[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccco1 ZINC000602610359 521435782 /nfs/dbraw/zinc/43/57/82/521435782.db2.gz ZTAFHTPPZNEOMJ-INIZCTEOSA-N 1 0 360.414 2.919 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@@H](O)CCc3ccccc3)CC2)cn1 ZINC000602610481 521436158 /nfs/dbraw/zinc/43/61/58/521436158.db2.gz YEVOHSWWUWIDAY-IBGZPJMESA-N 1 0 370.453 2.542 20 5 FFBDRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000594198966 521464773 /nfs/dbraw/zinc/46/47/73/521464773.db2.gz WQICGJKXWJUHKM-UONOGXRCSA-N 1 0 369.368 2.943 20 5 FFBDRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000594204715 521468996 /nfs/dbraw/zinc/46/89/96/521468996.db2.gz XOKHXFBGRJYQLV-AEFFLSMTSA-N 1 0 369.425 2.527 20 5 FFBDRO CC[C@H]([NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)[C@H](O)C(F)F ZINC000602679919 521477667 /nfs/dbraw/zinc/47/76/67/521477667.db2.gz SURQNLPUUMPOAT-YUMQZZPRSA-N 1 0 359.192 2.913 20 5 FFBDRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599831962 521499436 /nfs/dbraw/zinc/49/94/36/521499436.db2.gz BTWMVJJMOUEUEV-QGZVFWFLSA-N 1 0 357.414 2.947 20 5 FFBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3ccc([N+](=O)[O-])c4ccncc34)[C@H]2C1 ZINC000599832685 521501800 /nfs/dbraw/zinc/50/18/00/521501800.db2.gz IGUABJJKGAPLAH-PXAZEXFGSA-N 1 0 355.398 2.701 20 5 FFBDRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000594258108 521515498 /nfs/dbraw/zinc/51/54/98/521515498.db2.gz NBFWBKXXOJTPEF-KYJSFNMBSA-N 1 0 360.458 2.824 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000602783305 521528716 /nfs/dbraw/zinc/52/87/16/521528716.db2.gz OJYWCKPVCVCCKK-MCFWBGNESA-N 1 0 350.444 2.530 20 5 FFBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594284292 521537017 /nfs/dbraw/zinc/53/70/17/521537017.db2.gz UXLCAVWDTNONJK-ZWKOTPCHSA-N 1 0 360.458 2.796 20 5 FFBDRO Cn1cc(C[N@@H+]2CCC[C@H](Cn3cnc4ccccc43)C2)c([N+](=O)[O-])n1 ZINC000602809776 521545804 /nfs/dbraw/zinc/54/58/04/521545804.db2.gz DPIZGMJXPKEPIY-AWEZNQCLSA-N 1 0 354.414 2.590 20 5 FFBDRO Cn1cc(C[NH2+][C@@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)c([N+](=O)[O-])n1 ZINC000602839626 521564304 /nfs/dbraw/zinc/56/43/04/521564304.db2.gz WCMKPLGGAGIIMM-CABCVRRESA-N 1 0 367.812 2.656 20 5 FFBDRO Cn1cc(C[N@@H+]2CCC[C@](O)(C3CC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000597203914 521573010 /nfs/dbraw/zinc/57/30/10/521573010.db2.gz ANWGPEJWZWTFEK-LJQANCHMSA-N 1 0 356.426 2.732 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](CC)C[NH+]1CCCC1 ZINC000619637855 521806377 /nfs/dbraw/zinc/80/63/77/521806377.db2.gz WBKGUCLSUHOCLC-CYBMUJFWSA-N 1 0 350.419 2.989 20 5 FFBDRO CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000619807426 521881926 /nfs/dbraw/zinc/88/19/26/521881926.db2.gz ZLUPPXDHLNHYDX-KRWDZBQOSA-N 1 0 370.457 2.938 20 5 FFBDRO CCC1([NH+]2CCCC2)CCN(C(=O)c2ccnc(NC)c2[N+](=O)[O-])CC1 ZINC000601745782 553468003 /nfs/dbraw/zinc/46/80/03/553468003.db2.gz XBORRPBBRJZQLZ-UHFFFAOYSA-N 1 0 361.446 2.512 20 5 FFBDRO C[C@@H]1C[N@H+](C(C)(C)CNc2ncnc3cccc([N+](=O)[O-])c32)C[C@H](C)O1 ZINC000509057922 561783120 /nfs/dbraw/zinc/78/31/20/561783120.db2.gz QVMBDACKHACRCG-BETUJISGSA-N 1 0 359.430 2.838 20 5 FFBDRO O=[N+]([O-])c1ccc(NCCCN2CC[NH+](Cc3ccccc3)CC2)nc1 ZINC000512737893 561913822 /nfs/dbraw/zinc/91/38/22/561913822.db2.gz AGTNWZJARICTMX-UHFFFAOYSA-N 1 0 355.442 2.610 20 5 FFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC000820253252 606997685 /nfs/dbraw/zinc/99/76/85/606997685.db2.gz HMDGIXOTSMBEOQ-CYBMUJFWSA-N 1 0 352.398 2.886 20 5 FFBDRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2nccc3cc([N+](=O)[O-])ccc32)C1 ZINC001164735825 720533879 /nfs/dbraw/zinc/53/38/79/720533879.db2.gz RWHMFUFMOKNQSC-AWEZNQCLSA-N 1 0 366.425 2.538 20 5 FFBDRO CC[NH+](CC)C1CCN(c2ncnc3cc(OC)c([N+](=O)[O-])cc32)CC1 ZINC001165053953 722003329 /nfs/dbraw/zinc/00/33/29/722003329.db2.gz UCEXMRYAPRBNQV-UHFFFAOYSA-N 1 0 359.430 2.857 20 5 FFBDRO C[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1Br)[NH+]1CCCC1 ZINC000159143740 728901692 /nfs/dbraw/zinc/90/16/92/728901692.db2.gz ACXJCFROBNCIKB-JTQLQIEISA-N 1 0 356.220 2.571 20 5 FFBDRO CC[C@@H](C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+](CC)CC ZINC000745096082 735398802 /nfs/dbraw/zinc/39/88/02/735398802.db2.gz UCBKEEDBGYYLRA-DOMZBBRYSA-N 1 0 351.403 2.585 20 5 FFBDRO Cc1c([N+](=O)[O-])cc(C(=O)NCC[NH+](C(C)C)C(C)C)cc1[N+](=O)[O-] ZINC000027457295 727877355 /nfs/dbraw/zinc/87/73/55/727877355.db2.gz FYYHHSRDLGFMAQ-UHFFFAOYSA-N 1 0 352.391 2.660 20 5 FFBDRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000078800679 728304281 /nfs/dbraw/zinc/30/42/81/728304281.db2.gz VPHAPLULBRHJIZ-ZDUSSCGKSA-N 1 0 370.837 2.823 20 5 FFBDRO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1CC[C@H]([NH+](CC)CC)C1 ZINC000172789548 729032528 /nfs/dbraw/zinc/03/25/28/729032528.db2.gz OSWKVIGJNUTKOB-LBPRGKRZSA-N 1 0 353.394 2.831 20 5 FFBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000175807471 729102288 /nfs/dbraw/zinc/10/22/88/729102288.db2.gz RSKZEGQHJKYGCA-LLVKDONJSA-N 1 0 352.391 2.518 20 5 FFBDRO O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000424024877 729862025 /nfs/dbraw/zinc/86/20/25/729862025.db2.gz HXUHMWNSPXWCHB-KRWDZBQOSA-N 1 0 358.423 2.686 20 5 FFBDRO CCN(C(=O)c1cccc([N+](=O)[O-])c1Br)[C@@H]1CC[N@H+](C)C1 ZINC000857305354 730390253 /nfs/dbraw/zinc/39/02/53/730390253.db2.gz DIXAELGAPWHHAB-SNVBAGLBSA-N 1 0 356.220 2.524 20 5 FFBDRO CCCC[N@H+](C)CCNS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000779893843 738494355 /nfs/dbraw/zinc/49/43/55/738494355.db2.gz WFDKFQSCOJMMOB-UHFFFAOYSA-N 1 0 363.867 2.567 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H]1CC2(CO1)CCOCC2 ZINC000866533655 731071640 /nfs/dbraw/zinc/07/16/40/731071640.db2.gz SZGVRDUMSKWBTI-UKRRQHHQSA-N 1 0 350.415 2.840 20 5 FFBDRO O=[N+]([O-])c1cc(CN2CCC[C@H]3C[NH2+]CC[C@@H]32)ccc1Br ZINC000866717768 731090673 /nfs/dbraw/zinc/09/06/73/731090673.db2.gz OTWLKAQDJPHOOP-JSGCOSHPSA-N 1 0 354.248 2.931 20 5 FFBDRO CCC1([NH+](C)C)CCN(S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)CC1 ZINC000867630741 731207842 /nfs/dbraw/zinc/20/78/42/731207842.db2.gz KLHGAXSLELTVLP-UHFFFAOYSA-N 1 0 373.450 2.537 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H](C)C1CC[NH2+]CC1 ZINC000868012933 731251422 /nfs/dbraw/zinc/25/14/22/731251422.db2.gz WQUNGIDKNAXNHZ-QWRGUYRKSA-N 1 0 355.822 2.520 20 5 FFBDRO O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000868138128 731262670 /nfs/dbraw/zinc/26/26/70/731262670.db2.gz FTPDLCWWCFHSFG-NWDGAFQWSA-N 1 0 369.219 2.716 20 5 FFBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)NCCc3ccc(Cl)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000868480605 731296637 /nfs/dbraw/zinc/29/66/37/731296637.db2.gz BKYOBZYYSPJTDA-HIFRSBDPSA-N 1 0 366.849 2.526 20 5 FFBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H]1CCCN1CCCO ZINC000872074961 731726881 /nfs/dbraw/zinc/72/68/81/731726881.db2.gz KZMFBUCGGWYIEK-HIFRSBDPSA-N 1 0 353.488 2.814 20 5 FFBDRO CCCS(=O)(=O)N1CCC([NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000873011939 731863833 /nfs/dbraw/zinc/86/38/33/731863833.db2.gz LFIGVDIWFNBVIJ-UHFFFAOYSA-N 1 0 369.487 2.505 20 5 FFBDRO COc1cc(CN2CC[C@](C[NH3+])(C(C)(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000873223414 731892560 /nfs/dbraw/zinc/89/25/60/731892560.db2.gz MFAVBIJQRLPWFR-GOSISDBHSA-N 1 0 351.447 2.809 20 5 FFBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000878336204 732516223 /nfs/dbraw/zinc/51/62/23/732516223.db2.gz UXEIFBFBNYIOGV-QWRGUYRKSA-N 1 0 365.821 2.823 20 5 FFBDRO Cc1csc([C@H]2CC[N@H+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000880005892 732817370 /nfs/dbraw/zinc/81/73/70/732817370.db2.gz DSSVFENLICQCFG-ZFWWWQNUSA-N 1 0 363.439 2.589 20 5 FFBDRO O=C(CC[N@@H+]1CCO[C@@H](C(F)(F)F)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000880053155 732834145 /nfs/dbraw/zinc/83/41/45/732834145.db2.gz PHKXUYILCXUEGN-CYBMUJFWSA-N 1 0 361.320 2.577 20 5 FFBDRO O=C1CC2(CCC2)N(Cc2ccc(Br)cc2[N+](=O)[O-])CCN1 ZINC000880167136 732858892 /nfs/dbraw/zinc/85/88/92/732858892.db2.gz HOKXUIPLUCVHFZ-UHFFFAOYSA-N 1 0 368.231 2.602 20 5 FFBDRO C[C@H]1CN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CCN1c1cc[nH+]cc1 ZINC000881637038 733077521 /nfs/dbraw/zinc/07/75/21/733077521.db2.gz XCDUNZTYUFVIBG-LBPRGKRZSA-N 1 0 360.801 2.994 20 5 FFBDRO CCOc1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)S3(=O)=O)cc1[N+](=O)[O-] ZINC000927042363 738685198 /nfs/dbraw/zinc/68/51/98/738685198.db2.gz YAXURBLOQFHLFI-PRTUASRFSA-N 1 0 368.455 2.752 20 5 FFBDRO C[C@H](Cc1cnccn1)[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000883295356 733361685 /nfs/dbraw/zinc/36/16/85/733361685.db2.gz GCROGLVTBMXXHM-SNVBAGLBSA-N 1 0 351.204 2.868 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CC[C@H]1CCCS1(=O)=O)CCCC2 ZINC000883309152 733366957 /nfs/dbraw/zinc/36/69/57/733366957.db2.gz FVAPBQWGJDZLNG-NVXWUHKLSA-N 1 0 352.456 2.919 20 5 FFBDRO COc1c(O)ccc(C[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)c1[N+](=O)[O-] ZINC000893277499 734679155 /nfs/dbraw/zinc/67/91/55/734679155.db2.gz YZAHZECLQDDSIR-HCKVZZMMSA-N 1 0 356.469 2.778 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000731678213 734691232 /nfs/dbraw/zinc/69/12/32/734691232.db2.gz IVWYARZCUQVPBM-HNNXBMFYSA-N 1 0 351.746 2.980 20 5 FFBDRO CC(C)[C@@H](C[NH+](C)C)NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000733167601 734794789 /nfs/dbraw/zinc/79/47/89/734794789.db2.gz WMDMHJLIOSUEFL-WCQYABFASA-N 1 0 357.838 2.718 20 5 FFBDRO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000736093916 734975845 /nfs/dbraw/zinc/97/58/45/734975845.db2.gz ZFTGLPYYIPXYGY-INIZCTEOSA-N 1 0 367.833 2.621 20 5 FFBDRO O=[N+]([O-])c1cc2c(ncnc2N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)s1 ZINC000895570236 735025531 /nfs/dbraw/zinc/02/55/31/735025531.db2.gz RPMCMYZRWRQWEZ-MNOVXSKESA-N 1 0 351.457 2.591 20 5 FFBDRO CC(C)[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccn1 ZINC000784266865 738873700 /nfs/dbraw/zinc/87/37/00/738873700.db2.gz ZOWJBRSBSXKLEB-QGZVFWFLSA-N 1 0 363.439 2.750 20 5 FFBDRO C[N@@H+]1CCC[C@H]1CNC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000895888349 735070442 /nfs/dbraw/zinc/07/04/42/735070442.db2.gz SUTYLFQGBNMEHO-ZETCQYMHSA-N 1 0 350.177 2.865 20 5 FFBDRO O=[N+]([O-])c1cc(N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)ccc1C(F)(F)F ZINC000897221083 735207841 /nfs/dbraw/zinc/20/78/41/735207841.db2.gz GZOLSJIETOVTFN-UONOGXRCSA-N 1 0 359.348 2.649 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c(C(F)(F)F)c1 ZINC000742255151 735215230 /nfs/dbraw/zinc/21/52/30/735215230.db2.gz QAOCOTJQBPXWKR-GJZGRUSLSA-N 1 0 359.348 2.649 20 5 FFBDRO C[N@@H+]1C[C@H]2CCN(C(=O)c3cc(F)c(Cl)c([N+](=O)[O-])c3Cl)[C@@H]2C1 ZINC000897826188 735280960 /nfs/dbraw/zinc/28/09/60/735280960.db2.gz VAUXOWMCXWLPML-GMSGAONNSA-N 1 0 362.188 2.817 20 5 FFBDRO COc1cc([C@H](C)[NH2+]C2CCC(CS(C)(=O)=O)CC2)cc([N+](=O)[O-])c1 ZINC000903177656 736049636 /nfs/dbraw/zinc/04/96/36/736049636.db2.gz QSNRLDMMCWGNRK-OPFPJEHXSA-N 1 0 370.471 2.857 20 5 FFBDRO COc1cc([C@H](C)[NH2+]C[C@H]2CC3(CO2)CCOCC3)cc([N+](=O)[O-])c1 ZINC000903212139 736055878 /nfs/dbraw/zinc/05/58/78/736055878.db2.gz KILYREXCCFVDPC-SUMWQHHRSA-N 1 0 350.415 2.840 20 5 FFBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CCCOC1 ZINC000754569299 736174175 /nfs/dbraw/zinc/17/41/75/736174175.db2.gz QSIPLNCYRRDGNH-WOPDTQHZSA-N 1 0 355.822 2.980 20 5 FFBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)s1 ZINC000754655148 736183709 /nfs/dbraw/zinc/18/37/09/736183709.db2.gz FMONMVWLKOACGO-SNVBAGLBSA-N 1 0 363.395 2.983 20 5 FFBDRO CC(C)[N@H+](C)CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000755010100 736226299 /nfs/dbraw/zinc/22/62/99/736226299.db2.gz ZANUZBPJUJKMFB-UHFFFAOYSA-N 1 0 362.199 2.566 20 5 FFBDRO O=C(C[N@@H+]1CC[C@@H](C2CCOCC2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000755057591 736229532 /nfs/dbraw/zinc/22/95/32/736229532.db2.gz SAONZESWXGPWIZ-CYBMUJFWSA-N 1 0 367.833 2.935 20 5 FFBDRO C[C@@H](C[NH2+]CCS(=O)(=O)c1ccc(F)cc1)c1ccccc1[N+](=O)[O-] ZINC000905643234 736374717 /nfs/dbraw/zinc/37/47/17/736374717.db2.gz KOABGDIYJZHLIZ-ZDUSSCGKSA-N 1 0 366.414 2.901 20 5 FFBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC000908148684 736726959 /nfs/dbraw/zinc/72/69/59/736726959.db2.gz UJLPTVIEAZMEPQ-ZYHUDNBSSA-N 1 0 352.822 2.529 20 5 FFBDRO C[N@@H+]1CC[C@](O)(CNc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000762815749 736870207 /nfs/dbraw/zinc/87/02/07/736870207.db2.gz IHDBYMGQGJCWAE-LBPRGKRZSA-N 1 0 353.728 2.746 20 5 FFBDRO CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C[C@H]1[NH+]1CCCC1 ZINC000763283789 736922800 /nfs/dbraw/zinc/92/28/00/736922800.db2.gz RJCPVGVNBGVRAX-CABCVRRESA-N 1 0 369.874 2.900 20 5 FFBDRO C[C@H]1C[N@H+](CCCNC(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)CCCO1 ZINC000763787466 736968550 /nfs/dbraw/zinc/96/85/50/736968550.db2.gz VYELAGXMJJRSFY-LBPRGKRZSA-N 1 0 370.837 2.871 20 5 FFBDRO CC[N@@H+]1CCCN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000910285418 737052968 /nfs/dbraw/zinc/05/29/68/737052968.db2.gz YSZVSSPAUNPWOV-NSHDSACASA-N 1 0 357.357 2.753 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+]C2CCCCCCC2)cc1 ZINC000765401623 737115465 /nfs/dbraw/zinc/11/54/65/737115465.db2.gz HIWGIGODMTVUGW-UHFFFAOYSA-N 1 0 355.460 2.576 20 5 FFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3cccc4nsnc43)C2)nc1 ZINC000766894037 737272396 /nfs/dbraw/zinc/27/23/96/737272396.db2.gz IJEQJFJVGGILHJ-GFCCVEGCSA-N 1 0 356.411 2.681 20 5 FFBDRO O=C(NC1CC[NH+](C2CCOCC2)CC1)c1cccc([N+](=O)[O-])c1Cl ZINC000912347070 737294993 /nfs/dbraw/zinc/29/49/93/737294993.db2.gz KUGICYGTZOXKKZ-UHFFFAOYSA-N 1 0 367.833 2.621 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N[C@@H]2C[C@@H]([NH+](C)C)C23CCC3)c1F ZINC000912602926 737324109 /nfs/dbraw/zinc/32/41/09/737324109.db2.gz XLGHSCSPOBDASF-VXGBXAGGSA-N 1 0 353.369 2.784 20 5 FFBDRO CC(C)[C@@H](C[NH+](C)C)NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000770262116 737609971 /nfs/dbraw/zinc/60/99/71/737609971.db2.gz CRZMYDSAEORSCU-CYBMUJFWSA-N 1 0 358.236 2.673 20 5 FFBDRO C[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2Cl)CCN1c1cc[nH+]cc1 ZINC000915260713 737619110 /nfs/dbraw/zinc/61/91/10/737619110.db2.gz CCTXAEPSLQKKQX-LBPRGKRZSA-N 1 0 360.801 2.994 20 5 FFBDRO COC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000775816269 738128453 /nfs/dbraw/zinc/12/84/53/738128453.db2.gz PFDBLRKNVNNASX-OLZOCXBDSA-N 1 0 351.403 2.560 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000930882473 739177311 /nfs/dbraw/zinc/17/73/11/739177311.db2.gz LIWPNZKIHOQQQN-LSDHHAIUSA-N 1 0 350.444 2.605 20 5 FFBDRO CCN(CCC[NH+](CC)CC)c1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000788078317 739204953 /nfs/dbraw/zinc/20/49/53/739204953.db2.gz URIMUDUDZZBWQX-UHFFFAOYSA-N 1 0 357.476 2.557 20 5 FFBDRO Nc1c(C(=O)N2CCC[C@H]2C[NH+]2CCCC2)cc(Cl)c(F)c1[N+](=O)[O-] ZINC000931186297 739224432 /nfs/dbraw/zinc/22/44/32/739224432.db2.gz UGFFHWREMKKRPO-JTQLQIEISA-N 1 0 370.812 2.670 20 5 FFBDRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788603588 739262994 /nfs/dbraw/zinc/26/29/94/739262994.db2.gz FHTOPLAKJRJLDK-DGCLKSJQSA-N 1 0 350.419 2.837 20 5 FFBDRO C[C@@H]([NH2+]C[C@@H](C)CNC(=O)OC(C)(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788673302 739270781 /nfs/dbraw/zinc/27/07/81/739270781.db2.gz VMKLCVCFYDGIJV-VXGBXAGGSA-N 1 0 352.435 2.988 20 5 FFBDRO CC(C)(C)OC[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000932170550 739398091 /nfs/dbraw/zinc/39/80/91/739398091.db2.gz GKKRTJNQOVZRDE-LSDHHAIUSA-N 1 0 352.431 2.614 20 5 FFBDRO O=C(CC[N@@H+]1CCOC[C@H]1CC1CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000933209925 739583804 /nfs/dbraw/zinc/58/38/04/739583804.db2.gz RZJYEUBEHHMUTR-CQSZACIVSA-N 1 0 351.378 2.563 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)C[C@H]1C ZINC000933371257 739611595 /nfs/dbraw/zinc/61/15/95/739611595.db2.gz SKBDCAAALVHGIP-NXEZZACHSA-N 1 0 372.828 2.914 20 5 FFBDRO CCOC(=O)C1([C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000933884432 739701058 /nfs/dbraw/zinc/70/10/58/739701058.db2.gz DOKMIMIPZAIGKI-ZIAGYGMSSA-N 1 0 350.415 2.994 20 5 FFBDRO C[C@@H]1CSCCC[N@@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000934301607 739763223 /nfs/dbraw/zinc/76/32/23/739763223.db2.gz LIUNLRRSUXTBRE-GFCCVEGCSA-N 1 0 351.428 2.720 20 5 FFBDRO O=C(CC[N@@H+]1CC[C@H](Cc2nccs2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000934334121 739767619 /nfs/dbraw/zinc/76/76/19/739767619.db2.gz BNECPXKYLOUNJH-CYBMUJFWSA-N 1 0 360.439 2.945 20 5 FFBDRO C[C@H]1C[C@@H](NC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000934392852 739780493 /nfs/dbraw/zinc/78/04/93/739780493.db2.gz CYLOKQWSEZAZSV-NWDGAFQWSA-N 1 0 351.834 2.922 20 5 FFBDRO C[C@H](NS(=O)(=O)c1csc([N+](=O)[O-])c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000795165716 739977869 /nfs/dbraw/zinc/97/78/69/739977869.db2.gz YZIWBDVUDOQDGC-NHYWBVRUSA-N 1 0 369.468 2.626 20 5 FFBDRO CS[C@@H]1CN(Cc2ccc(Br)c([N+](=O)[O-])c2)C[C@H]1[NH+](C)C ZINC000801525026 740627553 /nfs/dbraw/zinc/62/75/53/740627553.db2.gz DLRSBTJSHREBHF-ZIAGYGMSSA-N 1 0 374.304 2.835 20 5 FFBDRO O=C(NC1CC2(C1)CC([NH2+]Cc1ccc(Cl)cc1)C2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000963792292 740656174 /nfs/dbraw/zinc/65/61/74/740656174.db2.gz WEKXAIRBAYTWSG-YVXVDGILSA-N 1 0 363.845 2.522 20 5 FFBDRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNc1cc(Cl)ccc1[N+](=O)[O-] ZINC000804407212 740869818 /nfs/dbraw/zinc/86/98/18/740869818.db2.gz RHYXFKKSWUXUKG-HNNXBMFYSA-N 1 0 354.838 2.603 20 5 FFBDRO CS[C@@H]1CN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000804622367 740889920 /nfs/dbraw/zinc/88/99/20/740889920.db2.gz CMIKXFHFUMPQPD-UONOGXRCSA-N 1 0 352.416 2.519 20 5 FFBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1CN1CC[NH+](CCCCO)CC1 ZINC000809963888 741367207 /nfs/dbraw/zinc/36/72/07/741367207.db2.gz GYDVESRQTUKPDU-UHFFFAOYSA-N 1 0 362.257 2.792 20 5 FFBDRO CCOc1cc(CON=C(N)C[NH+]2CCCCCC2)ccc1[N+](=O)[O-] ZINC000809995738 741371085 /nfs/dbraw/zinc/37/10/85/741371085.db2.gz MWZRIYZWAPWQKB-UHFFFAOYSA-N 1 0 350.419 2.868 20 5 FFBDRO CSC1(CNC(=O)/C(C)=C\c2ccc([N+](=O)[O-])cc2)CC[NH+](C)CC1 ZINC000810880519 741458411 /nfs/dbraw/zinc/45/84/11/741458411.db2.gz JTTVCJWCTAOVIW-OWBHPGMISA-N 1 0 363.483 2.942 20 5 FFBDRO C[C@@H]([NH2+]CCCn1cc(Br)cn1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815627352 741949002 /nfs/dbraw/zinc/94/90/02/741949002.db2.gz YYSLMHVQAHLION-SNVBAGLBSA-N 1 0 368.235 2.877 20 5 FFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](C2CC2)C2(CO)CCOCC2)cc1Cl ZINC000816656689 742051380 /nfs/dbraw/zinc/05/13/80/742051380.db2.gz AUUPMHIIYSOOOY-MRXNPFEDSA-N 1 0 354.834 2.906 20 5 FFBDRO [NH3+][C@H]1CCO[C@@H](C2CCN(C(=O)c3cc(Cl)ccc3[N+](=O)[O-])CC2)C1 ZINC000818014318 742230318 /nfs/dbraw/zinc/23/03/18/742230318.db2.gz DULGDPDFZBFZHE-XJKSGUPXSA-N 1 0 367.833 2.607 20 5 FFBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@H](O)COCc2cccs2)c1 ZINC000819148822 742344151 /nfs/dbraw/zinc/34/41/51/742344151.db2.gz FJCZXWYGUVOXNJ-ZDUSSCGKSA-N 1 0 356.831 2.977 20 5 FFBDRO O=C(CC[NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12)Nc1ccccc1[N+](=O)[O-] ZINC000819196407 742352028 /nfs/dbraw/zinc/35/20/28/742352028.db2.gz BNPSYEMLPVUGPI-XPKDYRNWSA-N 1 0 367.496 2.893 20 5 FFBDRO C[N@@H+](Cc1ccc(Cl)s1)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001029964461 742824008 /nfs/dbraw/zinc/82/40/08/742824008.db2.gz JUNVDGGQOMTXPO-ZIAGYGMSSA-N 1 0 371.890 2.737 20 5 FFBDRO Cc1cccc(Cl)c1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001034645957 742928465 /nfs/dbraw/zinc/92/84/65/742928465.db2.gz XLMKRJJCCQHIJG-VMUDFCTBSA-N 1 0 365.861 2.831 20 5 FFBDRO Cn1nccc1[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CCO1 ZINC000825045437 743200305 /nfs/dbraw/zinc/20/03/05/743200305.db2.gz DJGVTICLXXPRJZ-XJKSGUPXSA-N 1 0 350.806 2.992 20 5 FFBDRO CS[C@H]1CN(C(=O)c2cc(Cl)c(C)cc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000836779641 746304588 /nfs/dbraw/zinc/30/45/88/746304588.db2.gz ICDCPQXLMVTKIQ-KBPBESRZSA-N 1 0 357.863 2.674 20 5 FFBDRO C[NH+](C)CCN(Cc1ccsc1)C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000838185121 746591427 /nfs/dbraw/zinc/59/14/27/746591427.db2.gz GESKQQYXADOVNN-UHFFFAOYSA-N 1 0 366.418 2.582 20 5 FFBDRO C[N@@H+]1CCC[C@H](CCNC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000838513045 746655561 /nfs/dbraw/zinc/65/55/61/746655561.db2.gz LOTPZULBDQGYPU-GFCCVEGCSA-N 1 0 354.838 2.779 20 5 FFBDRO CC[C@H]1CN(C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000839393238 746821299 /nfs/dbraw/zinc/82/12/99/746821299.db2.gz YNXOKGQWMPHNAN-JTQLQIEISA-N 1 0 356.220 2.524 20 5 FFBDRO CCC[NH+]1CCC(N(C)CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000839504039 746842161 /nfs/dbraw/zinc/84/21/61/746842161.db2.gz NUDMVYWRCVOCGL-UHFFFAOYSA-N 1 0 368.865 2.993 20 5 FFBDRO CC[C@](C)(CC(=O)OC)[NH2+]CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839522915 746846607 /nfs/dbraw/zinc/84/66/07/746846607.db2.gz YBSMTTZOFXAZAK-OAHLLOKOSA-N 1 0 357.794 2.508 20 5 FFBDRO C[N@@H+]1CCC[C@H](CCNC(=O)c2cccc([N+](=O)[O-])c2Br)C1 ZINC000839796999 746924205 /nfs/dbraw/zinc/92/42/05/746924205.db2.gz GBKXCJGNEVWGAM-LLVKDONJSA-N 1 0 370.247 2.819 20 5 FFBDRO C[NH+]1CCC(NC(=S)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000840801569 747187218 /nfs/dbraw/zinc/18/72/18/747187218.db2.gz JCJQAAXQHSLYGO-HNNXBMFYSA-N 1 0 362.499 2.743 20 5 FFBDRO CC(C)C[C@H](C[NH3+])NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841160639 747283663 /nfs/dbraw/zinc/28/36/63/747283663.db2.gz CXHWDSCHFVEZGK-SNVBAGLBSA-N 1 0 359.224 2.852 20 5 FFBDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000841161184 747284396 /nfs/dbraw/zinc/28/43/96/747284396.db2.gz KVNRRJUGRKPVLP-RKDXNWHRSA-N 1 0 357.208 2.558 20 5 FFBDRO C[C@@H]1CCCN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)[C@@H]1C[NH3+] ZINC000841162626 747285482 /nfs/dbraw/zinc/28/54/82/747285482.db2.gz YFNWQKDHQVMYMD-NOZJJQNGSA-N 1 0 371.235 2.948 20 5 FFBDRO COc1ccc(CC(=O)OC[C@H]2CCC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000842834082 747702215 /nfs/dbraw/zinc/70/22/15/747702215.db2.gz QZHJSKNCTGEYIO-HNNXBMFYSA-N 1 0 350.415 2.810 20 5 FFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@@H](O)c2c(F)cccc2Cl)c1 ZINC000843084477 747765284 /nfs/dbraw/zinc/76/52/84/747765284.db2.gz BBTQEGOGPWBQBS-LSDHHAIUSA-N 1 0 354.765 2.744 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@@H](O)c2cc(F)cc(Cl)c2)cc1 ZINC000843111732 747773930 /nfs/dbraw/zinc/77/39/30/747773930.db2.gz NSRMCROXXSTGGH-JKSUJKDBSA-N 1 0 354.765 2.744 20 5 FFBDRO O=[N+]([O-])c1cc(CN2CC[C@@]3(C2)CCC[NH2+]C3)ccc1Br ZINC000843114535 747775250 /nfs/dbraw/zinc/77/52/50/747775250.db2.gz CYZDDHKZUMYXSS-HNNXBMFYSA-N 1 0 354.248 2.933 20 5 FFBDRO CCOc1cc(C(=O)O[C@@H](C)C[NH+]2CCCC2)c([N+](=O)[O-])cc1OC ZINC000845669979 748301876 /nfs/dbraw/zinc/30/18/76/748301876.db2.gz MUNBYLBBGXZXHD-LBPRGKRZSA-N 1 0 352.387 2.643 20 5 FFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC[S@@](=O)CC(F)(F)F ZINC000850350106 749349420 /nfs/dbraw/zinc/34/94/20/749349420.db2.gz OARJUIAHQNNPGF-RRZSJFKKSA-N 1 0 350.362 2.899 20 5 FFBDRO COc1ccc(C[NH2+]C[C@@H](O)c2cc(F)c(F)c(F)c2)cc1[N+](=O)[O-] ZINC000850418703 749361983 /nfs/dbraw/zinc/36/19/83/749361983.db2.gz PJUVOKLDOHMMSA-CQSZACIVSA-N 1 0 356.300 2.844 20 5 FFBDRO COC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1Br)C1CCOCC1 ZINC000852320885 749833393 /nfs/dbraw/zinc/83/33/93/749833393.db2.gz GTBSHHDKBKPQKB-ZDUSSCGKSA-N 1 0 373.247 2.889 20 5 FFBDRO O=[N+]([O-])c1cccc(Br)c1NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000853240765 750036162 /nfs/dbraw/zinc/03/61/62/750036162.db2.gz FJDJOABGWCFMDB-GHMZBOCLSA-N 1 0 356.220 2.632 20 5 FFBDRO O=[N+]([O-])c1cccc(Br)c1NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000853240769 750036451 /nfs/dbraw/zinc/03/64/51/750036451.db2.gz FJDJOABGWCFMDB-QWRGUYRKSA-N 1 0 356.220 2.632 20 5 FFBDRO COCCC[NH+]1CCC(Nc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000486958443 888242679 /nfs/dbraw/zinc/24/26/79/888242679.db2.gz SXFQQNCIXPPMSG-UHFFFAOYSA-N 1 0 361.402 2.558 20 5 FFBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000823639981 946460295 /nfs/dbraw/zinc/46/02/95/946460295.db2.gz OHQQLQBOAKKTPT-UHFFFAOYSA-N 1 0 374.788 2.597 20 5 FFBDRO O=C1CN(C[N@@H+]2CC[C@H]3CCCC[C@H]3C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC001116021081 1032068237 /nfs/dbraw/zinc/06/82/37/1032068237.db2.gz DVHQUJRJOCXELA-CABCVRRESA-N 1 0 372.425 2.833 20 5 FFBDRO O=[N+]([O-])c1cnc(N(Cc2ccccn2)C2CCCCC2)nc1C1C[NH2+]C1 ZINC001167100668 960045534 /nfs/dbraw/zinc/04/55/34/960045534.db2.gz XJXSIMAYTCBGBJ-UHFFFAOYSA-N 1 0 368.441 2.806 20 5 FFBDRO C[C@@H]1C[C@@H](NC(=O)COc2ccccc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000134885671 960093499 /nfs/dbraw/zinc/09/34/99/960093499.db2.gz WMJVYVJVXGRZTG-NVXWUHKLSA-N 1 0 369.421 2.753 20 5 FFBDRO CCOc1cc(C(=O)N(C)CC(C)(C)C[NH+](C)C)c([N+](=O)[O-])cc1OC ZINC000890885994 960797567 /nfs/dbraw/zinc/79/75/67/960797567.db2.gz NMJSRQGNYGMYOS-UHFFFAOYSA-N 1 0 367.446 2.662 20 5 FFBDRO CNC(=O)c1ccc(N2CCC(C)([NH+]3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000872664748 1013244830 /nfs/dbraw/zinc/24/48/30/1013244830.db2.gz XSFPXACXYPUEAW-UHFFFAOYSA-N 1 0 360.458 2.799 20 5 FFBDRO COC(=O)c1ccnc(N2CCC(C)([NH+]3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000872661880 1013245402 /nfs/dbraw/zinc/24/54/02/1013245402.db2.gz DMBDZACTWNOMIM-UHFFFAOYSA-N 1 0 362.430 2.621 20 5 FFBDRO [NH3+]Cc1cnc2c(ccn2-c2nc3cc([N+](=O)[O-])ccc3nc2Cl)c1 ZINC001167305152 961476730 /nfs/dbraw/zinc/47/67/30/961476730.db2.gz PPZZXDCDFOEFOU-UHFFFAOYSA-N 1 0 354.757 2.989 20 5 FFBDRO COc1cc(C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)ccc1OCCO ZINC000873016169 1013350372 /nfs/dbraw/zinc/35/03/72/1013350372.db2.gz DXIAULPIJPSBLF-UHFFFAOYSA-N 1 0 360.410 2.881 20 5 FFBDRO CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C1 ZINC000134539143 963986630 /nfs/dbraw/zinc/98/66/30/963986630.db2.gz TWJZYCRDRQEQHX-ZDUSSCGKSA-N 1 0 373.409 2.964 20 5 FFBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N[C@H]1CCCCC12CC[NH2+]CC2 ZINC000891608706 964576596 /nfs/dbraw/zinc/57/65/96/964576596.db2.gz XNSCQYKYGBXRLM-KRWDZBQOSA-N 1 0 360.458 2.749 20 5 FFBDRO COc1cccc([C@@H]2CN(CCOc3cccc([N+](=O)[O-])c3)CC[NH2+]2)c1 ZINC001175578103 1013514336 /nfs/dbraw/zinc/51/43/36/1013514336.db2.gz MQCSOLWMNXIFPC-IBGZPJMESA-N 1 0 357.410 2.629 20 5 FFBDRO Cc1c(Nc2cc3c(cc2[N+](=O)[O-])C[NH2+]C3)c(=O)n(-c2ccccc2)n1C ZINC001167979282 965611175 /nfs/dbraw/zinc/61/11/75/965611175.db2.gz WKRPCIYPQGPNRL-UHFFFAOYSA-N 1 0 365.393 2.739 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@]1(c2ccccc2)C[C@@H](O)C1 ZINC001175957183 1013595185 /nfs/dbraw/zinc/59/51/85/1013595185.db2.gz YZMKUPMIPWSBCW-MSEWRSJXSA-N 1 0 369.421 2.872 20 5 FFBDRO Cc1cc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc([N+](=O)[O-])c1 ZINC000121882227 966910018 /nfs/dbraw/zinc/91/00/18/966910018.db2.gz VJOWOCJWMOLOHZ-UHFFFAOYSA-N 1 0 354.410 2.907 20 5 FFBDRO COc1c(O)ccc(C[N@@H+]2CCC[C@](O)(c3ccccc3)C2)c1[N+](=O)[O-] ZINC000895587013 970762570 /nfs/dbraw/zinc/76/25/70/970762570.db2.gz FJJYNPKXUHTJBM-LJQANCHMSA-N 1 0 358.394 2.793 20 5 FFBDRO C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000313084856 972622701 /nfs/dbraw/zinc/62/27/01/972622701.db2.gz XHVWLXQZHIKJFD-ZBFHGGJFSA-N 1 0 368.437 2.817 20 5 FFBDRO Cc1ccc(CNC(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)cc1[N+](=O)[O-] ZINC000876171044 1014157799 /nfs/dbraw/zinc/15/77/99/1014157799.db2.gz ISYHHRFAWHPXDA-QGZVFWFLSA-N 1 0 360.458 2.777 20 5 FFBDRO CC(C)c1ccc(C[N@H+](C)C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1 ZINC000985431011 974068415 /nfs/dbraw/zinc/06/84/15/974068415.db2.gz LNIAVMKRAIMBEI-RTBURBONSA-N 1 0 359.470 2.898 20 5 FFBDRO CCOC(=O)C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C(C)(C)C ZINC000152104837 974351500 /nfs/dbraw/zinc/35/15/00/974351500.db2.gz KXPIEBWXWQSWBB-UHFFFAOYSA-N 1 0 365.430 2.895 20 5 FFBDRO Cn1c2ccccc2c(NC2CC([NH+]3CCCCC3)C2)c([N+](=O)[O-])c1=O ZINC000893625033 976151724 /nfs/dbraw/zinc/15/17/24/976151724.db2.gz OXKVGPBFBPIFHD-UHFFFAOYSA-N 1 0 356.426 2.876 20 5 FFBDRO CCc1ccc(C(=O)NC2CC[NH+](C3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000898632581 976587656 /nfs/dbraw/zinc/58/76/56/976587656.db2.gz MHZPBEDSBAFWJD-UHFFFAOYSA-N 1 0 361.442 2.530 20 5 FFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CCC[N@H+](CCC1CCCCCC1)C2 ZINC000981763381 976763818 /nfs/dbraw/zinc/76/38/18/976763818.db2.gz HXOKWNJGUYEOEN-QZTJIDSGSA-N 1 0 363.502 2.937 20 5 FFBDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2c(C)c(F)ccc2[N+](=O)[O-])C1 ZINC000843813963 977306789 /nfs/dbraw/zinc/30/67/89/977306789.db2.gz QKNWKAHCRIGRFF-AWEZNQCLSA-N 1 0 367.421 2.615 20 5 FFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]Cc3ccccc3Cn3ccnc3)C2)c1 ZINC000876921071 1014420814 /nfs/dbraw/zinc/42/08/14/1014420814.db2.gz JJXNWSAARSIYEF-UHFFFAOYSA-N 1 0 352.398 2.529 20 5 FFBDRO [NH3+]Cc1cccc2c1N(C(=O)COc1ccc([N+](=O)[O-])c(F)c1)CCC2 ZINC000877015317 1014450901 /nfs/dbraw/zinc/45/09/01/1014450901.db2.gz LMXMOSKVAWRTFY-UHFFFAOYSA-N 1 0 359.357 2.551 20 5 FFBDRO C[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[C@@H](O)c1ccc(F)cc1 ZINC000877034533 1014456131 /nfs/dbraw/zinc/45/61/31/1014456131.db2.gz JQDQQCQCBGYDLS-BFUOFWGJSA-N 1 0 374.416 2.809 20 5 FFBDRO COc1ccc([C@@H]2CN(C(=O)c3cc(F)cc(C)c3[N+](=O)[O-])C[C@H]2[NH3+])cc1 ZINC000877237034 1014521989 /nfs/dbraw/zinc/52/19/89/1014521989.db2.gz NTNBTOHSERXTPP-DLBZAZTESA-N 1 0 373.384 2.618 20 5 FFBDRO COc1ccc([C@@H]2CN(C(=O)c3cc([N+](=O)[O-])c(C)cc3C)C[C@H]2[NH3+])cc1 ZINC000877238924 1014524884 /nfs/dbraw/zinc/52/48/84/1014524884.db2.gz KZOSLJIMLSLVFW-ZWKOTPCHSA-N 1 0 369.421 2.787 20 5 FFBDRO Cn1cc(C[NH2+][C@@H]2Cc3ccccc3[C@H]2N)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000904459796 980280905 /nfs/dbraw/zinc/28/09/05/980280905.db2.gz XDGXOPOBYNTDQQ-RTBURBONSA-N 1 0 363.421 2.710 20 5 FFBDRO O=C(C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)N1CCCCc2ccccc21 ZINC000905607646 980470408 /nfs/dbraw/zinc/47/04/08/980470408.db2.gz LAHFYISRYVRYFV-IBGZPJMESA-N 1 0 369.421 2.587 20 5 FFBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[NH+](C2CCCC2)CC1 ZINC000130116719 980732404 /nfs/dbraw/zinc/73/24/04/980732404.db2.gz SGOMOGNXAZFPBR-UHFFFAOYSA-N 1 0 356.426 2.705 20 5 FFBDRO C[NH+]1CCC2(CCC(NC(=O)COc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000908500944 981452325 /nfs/dbraw/zinc/45/23/25/981452325.db2.gz VABJKUOOSQEEFA-UHFFFAOYSA-N 1 0 361.442 2.744 20 5 FFBDRO COc1ccc(C[C@@](C)(CO)[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000877829969 1014746023 /nfs/dbraw/zinc/74/60/23/1014746023.db2.gz BQNYDUXHACWTHK-FQEVSTJZSA-N 1 0 374.437 2.738 20 5 FFBDRO CC[N@@H+]1CCCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000910296444 981902466 /nfs/dbraw/zinc/90/24/66/981902466.db2.gz MXOPPDIBNKYPIX-OAHLLOKOSA-N 1 0 360.458 2.751 20 5 FFBDRO COc1ccc(-c2ccc(C[NH2+][C@@H]3COCC[C@H]3OC)o2)c([N+](=O)[O-])c1 ZINC000897891595 982544489 /nfs/dbraw/zinc/54/44/89/982544489.db2.gz KJEBUONNBTUBCO-CRAIPNDOSA-N 1 0 362.382 2.757 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000878087879 1014852770 /nfs/dbraw/zinc/85/27/70/1014852770.db2.gz AOHZTJJLWHUOMB-GOSISDBHSA-N 1 0 362.405 2.684 20 5 FFBDRO C[NH+](C)[C@@H]1C[C@H](NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)C12CCC2 ZINC001168337070 982977350 /nfs/dbraw/zinc/97/73/50/982977350.db2.gz DIKXMPSMXCHBJZ-WDEREUQCSA-N 1 0 370.812 2.572 20 5 FFBDRO C[N@@H+]1CCCN(c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)CC1 ZINC000046404462 984676160 /nfs/dbraw/zinc/67/61/60/984676160.db2.gz FYADUNYCRZTJPE-UHFFFAOYSA-N 1 0 354.410 2.989 20 5 FFBDRO COC(=O)CCC1CC[NH+](Cn2nc(C)c3cc([N+](=O)[O-])ccc32)CC1 ZINC000765069305 984953473 /nfs/dbraw/zinc/95/34/73/984953473.db2.gz WTZFWALITAAWEA-UHFFFAOYSA-N 1 0 360.414 2.876 20 5 FFBDRO C[C@H](NCc1cn(C)nc1[N+](=O)[O-])c1ccc(N2CCCCC2=O)cc1 ZINC000878631940 1015141729 /nfs/dbraw/zinc/14/17/29/1015141729.db2.gz BLQYXERNUJHQCW-ZDUSSCGKSA-N 1 0 357.414 2.696 20 5 FFBDRO CCN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C[C@H](O)c1ccc(C)cc1 ZINC000173832159 986000382 /nfs/dbraw/zinc/00/03/82/986000382.db2.gz KZIKQXNLPOGQIC-IBGZPJMESA-N 1 0 371.437 2.922 20 5 FFBDRO C[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(N2CCOC2=O)cc1 ZINC000765846249 986713122 /nfs/dbraw/zinc/71/31/22/986713122.db2.gz XGDJQNGQTVAJNW-SCLBCKFNSA-N 1 0 371.393 2.936 20 5 FFBDRO [NH3+]C1CCN(c2ccc(-c3noc(-c4ccc([N+](=O)[O-])s4)n3)cn2)CC1 ZINC000843145707 987170141 /nfs/dbraw/zinc/17/01/41/987170141.db2.gz MMZPPTMNRAXGLN-UHFFFAOYSA-N 1 0 372.410 2.696 20 5 FFBDRO Cc1ccc2ccccc2c1C[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001002791033 987482840 /nfs/dbraw/zinc/48/28/40/987482840.db2.gz GULACDMOOQPNGG-UYAOXDASSA-N 1 0 367.449 2.894 20 5 FFBDRO Cc1ccc(N2CC[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)[C@@H](C)C2)cc1C ZINC000761668489 987692775 /nfs/dbraw/zinc/69/27/75/987692775.db2.gz GATSUEVZTUZIAZ-KRWDZBQOSA-N 1 0 370.453 2.584 20 5 FFBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N(C)CCCC[NH+]1CCCCC1 ZINC000922332678 988427986 /nfs/dbraw/zinc/42/79/86/988427986.db2.gz UAWNTICFLXTZEC-UHFFFAOYSA-N 1 0 362.474 2.999 20 5 FFBDRO C/C(=C\C(=O)N1CCC([NH2+]C2CCOCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000922878721 988967173 /nfs/dbraw/zinc/96/71/73/988967173.db2.gz SVHGHVKRFNVFET-CCEZHUSRSA-N 1 0 373.453 2.758 20 5 FFBDRO CCc1ccc(C(=O)N2CCC([NH2+]C3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000922869628 988970024 /nfs/dbraw/zinc/97/00/24/988970024.db2.gz FAHRGBOIXNBBKW-UHFFFAOYSA-N 1 0 361.442 2.530 20 5 FFBDRO COC(=O)[C@H](C)C[N@@H+](Cc1ccccc1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000153909727 989762847 /nfs/dbraw/zinc/76/28/47/989762847.db2.gz ZHDFYIVZRVYCAM-BEFAXECRSA-N 1 0 372.421 2.940 20 5 FFBDRO CC[NH+](CC)CCCNC(=O)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000917063570 990113074 /nfs/dbraw/zinc/11/30/74/990113074.db2.gz KEMGPXYWFMPBGS-UHFFFAOYSA-N 1 0 362.474 2.659 20 5 FFBDRO Cc1c(CO)cc([N+](=O)[O-])c(NC2CC[NH+](CC3CC3)CC2)c1[N+](=O)[O-] ZINC000917088346 990126236 /nfs/dbraw/zinc/12/62/36/990126236.db2.gz GNNWRWZFQBSRCY-UHFFFAOYSA-N 1 0 364.402 2.590 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@H](O)c2ccccc2C(F)(F)F)cc1 ZINC000918747999 990488207 /nfs/dbraw/zinc/48/82/07/990488207.db2.gz KETYTKUEJNBDMA-HOTGVXAUSA-N 1 0 370.327 2.970 20 5 FFBDRO Cc1ccc(NCC[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)nc1 ZINC000922926205 990742873 /nfs/dbraw/zinc/74/28/73/990742873.db2.gz PWRFRGAMFPYBHY-UHFFFAOYSA-N 1 0 366.425 2.900 20 5 FFBDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000920450979 990851006 /nfs/dbraw/zinc/85/10/06/990851006.db2.gz ICPUKRDUZAAMEI-OAHLLOKOSA-N 1 0 373.457 2.573 20 5 FFBDRO Cc1nn(Cc2ccc(C(=O)OCCC[NH+](C)C)cc2)c(C)c1[N+](=O)[O-] ZINC000921233141 991019827 /nfs/dbraw/zinc/01/98/27/991019827.db2.gz FHCGLLHDVGHUMG-UHFFFAOYSA-N 1 0 360.414 2.565 20 5 FFBDRO Cc1c([N+](=O)[O-])cc(C(=O)NC[C@H](C)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000068115596 991336020 /nfs/dbraw/zinc/33/60/20/991336020.db2.gz YXLPOXWIYOLIPV-LBPRGKRZSA-N 1 0 364.402 2.663 20 5 FFBDRO Cc1cc(C[NH2+]CC2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCCCC2)c(C)s1 ZINC001485451392 991944409 /nfs/dbraw/zinc/94/44/09/991944409.db2.gz MVYCNHDCJQRWBF-HZPDHXFCSA-N 1 0 365.499 2.939 20 5 FFBDRO Cc1c(C(=O)NCCC[N@H+]2CCCC[C@@H]2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000072706089 993273335 /nfs/dbraw/zinc/27/33/35/993273335.db2.gz XMKBQXFJKKNOAC-LBPRGKRZSA-N 1 0 364.402 2.806 20 5 FFBDRO O=C(NC1CC1)OC[C@H]1CCCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000810037959 994683843 /nfs/dbraw/zinc/68/38/43/994683843.db2.gz YDDRFRZGLXGQFS-OAHLLOKOSA-N 1 0 363.414 2.717 20 5 FFBDRO CC(C)C[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001133396097 995498626 /nfs/dbraw/zinc/49/86/26/995498626.db2.gz QWPTWWQXPFQKNT-HZPDHXFCSA-N 1 0 353.850 2.579 20 5 FFBDRO C[N@@H+]1C[C@@H](CNC(=O)c2cc(F)ccc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000844050220 997629750 /nfs/dbraw/zinc/62/97/50/997629750.db2.gz XVVPLXWFOZNHGR-PBHICJAKSA-N 1 0 357.385 2.809 20 5 FFBDRO C[C@@H]1CCC[C@@H](C)[NH+]1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000731212814 997742829 /nfs/dbraw/zinc/74/28/29/997742829.db2.gz GBVBDSCDOSNTQE-HZPDHXFCSA-N 1 0 360.458 2.506 20 5 FFBDRO C[C@H]([NH2+]C[C@](C)(O)CN(C)C(=O)OC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000844335461 997791820 /nfs/dbraw/zinc/79/18/20/997791820.db2.gz VTLFQWYREFJZBS-UGSOOPFHSA-N 1 0 367.446 2.863 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]Cc2ccc(-n3ccnc3)c(F)c2)cc1 ZINC000731678373 998143407 /nfs/dbraw/zinc/14/34/07/998143407.db2.gz LBQFBQGNWHEGKW-SFHVURJKSA-N 1 0 356.357 2.743 20 5 FFBDRO Cc1cc([N+](=O)[O-])nn1Cc1cccc(-c2nc([C@H]([NH3+])C(C)C)no2)c1 ZINC000844906918 998216458 /nfs/dbraw/zinc/21/64/58/998216458.db2.gz VUBRWLGGQBFUOE-OAHLLOKOSA-N 1 0 356.386 2.854 20 5 FFBDRO C[C@@H](OC(=O)CC[C@@H]1CCCC[N@@H+]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000803855289 1016244857 /nfs/dbraw/zinc/24/48/57/1016244857.db2.gz FIFZPROCHFYMEO-HIFRSBDPSA-N 1 0 363.414 2.730 20 5 FFBDRO C[N@H+](CCCNC(=O)OC(C)(C)C)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000740758071 999681380 /nfs/dbraw/zinc/68/13/80/999681380.db2.gz OUWIGMPPTQQXKD-UHFFFAOYSA-N 1 0 363.418 2.749 20 5 FFBDRO O=[N+]([O-])c1cn(CN2CCC[C@H]2C[NH+]2CCCCC2)nc1-c1ccncc1 ZINC000742149864 999761870 /nfs/dbraw/zinc/76/18/70/999761870.db2.gz NXJODEJCTLWFFK-KRWDZBQOSA-N 1 0 370.457 2.761 20 5 FFBDRO Cc1c(CO)cc([N+](=O)[O-])c(N(C)CC[C@@H]2CCCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000742419036 999773164 /nfs/dbraw/zinc/77/31/64/999773164.db2.gz PEFZUCPCUCJGLA-AWEZNQCLSA-N 1 0 366.418 2.614 20 5 FFBDRO CC[N@H+](CN1C(=O)N[C@](C)(c2ccc([N+](=O)[O-])cc2)C1=O)[C@H](C)C(C)C ZINC000742557532 999778212 /nfs/dbraw/zinc/77/82/12/999778212.db2.gz ZNKFCASBQFTZHJ-FZKQIMNGSA-N 1 0 362.430 2.686 20 5 FFBDRO CC(C)(C)OC(=O)N1CCC(C(=[NH2+])N[C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168978070 1000012107 /nfs/dbraw/zinc/01/21/07/1000012107.db2.gz ODFMWJMZCVJSJN-JSGCOSHPSA-N 1 0 354.451 2.646 20 5 FFBDRO CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001168985432 1000012395 /nfs/dbraw/zinc/01/23/95/1000012395.db2.gz FEYQTPOCZRBJQT-QCODTGAPSA-N 1 0 353.463 2.952 20 5 FFBDRO C[NH+](C)CCOc1cc(NCCc2cn3ccccc3n2)ccc1[N+](=O)[O-] ZINC001169003901 1000014672 /nfs/dbraw/zinc/01/46/72/1000014672.db2.gz KAKVMMLYTOVZQQ-UHFFFAOYSA-N 1 0 369.425 2.838 20 5 FFBDRO COc1ccc(N2C[C@]3(CC[N@@H+]([C@H]4CC[C@@H](C[N+](=O)[O-])C4)C3)CC2=O)cc1 ZINC001169019013 1000017532 /nfs/dbraw/zinc/01/75/32/1000017532.db2.gz GBCSMECDRHFJBD-OXFYSEKESA-N 1 0 373.453 2.569 20 5 FFBDRO CCOC[C@@H]1C[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)Cc2cn(CC3CC3)nc21 ZINC001169021690 1000017562 /nfs/dbraw/zinc/01/75/62/1000017562.db2.gz PKYVTVNDSHDRPA-NJAFHUGGSA-N 1 0 362.474 2.674 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])ncc1N[C@H]1CC(C)(C)C[C@](C)(C[NH3+])C1 ZINC001169154915 1000028552 /nfs/dbraw/zinc/02/85/52/1000028552.db2.gz ZLABKQHRBBLKER-APPDUMDISA-N 1 0 350.419 2.732 20 5 FFBDRO [NH3+]CCc1cn(-c2ncnc3cc(F)c([N+](=O)[O-])cc32)c2cccnc12 ZINC001169706191 1000070830 /nfs/dbraw/zinc/07/08/30/1000070830.db2.gz OOLIRJVGGMDLBE-UHFFFAOYSA-N 1 0 352.329 2.517 20 5 FFBDRO CCC[C@@H]1CN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1CCOC ZINC000767122668 1000100139 /nfs/dbraw/zinc/10/01/39/1000100139.db2.gz HVFPVNIGLGZRAR-RUJXFNLJSA-N 1 0 361.442 2.567 20 5 FFBDRO COC(=O)[C@]12C[N@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C[C@H]1CCCC2 ZINC000847016809 1000520418 /nfs/dbraw/zinc/52/04/18/1000520418.db2.gz GPFXICQGPXBFQU-CXAGYDPISA-N 1 0 363.370 2.668 20 5 FFBDRO CC(C)[N@@H+](CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)CC1CCC1 ZINC000769927743 1000639888 /nfs/dbraw/zinc/63/98/88/1000639888.db2.gz NRFFYWZAPKBEOX-UHFFFAOYSA-N 1 0 374.485 2.754 20 5 FFBDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2[nH]nc([N+](=O)[O-])c2Cl)C1 ZINC001146934743 1000792219 /nfs/dbraw/zinc/79/22/19/1000792219.db2.gz PCTHUVBRMCBZAE-RYUDHWBXSA-N 1 0 369.853 2.698 20 5 FFBDRO Cc1ccc(NCCCNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC001147332177 1000873249 /nfs/dbraw/zinc/87/32/49/1000873249.db2.gz WWBKFUOGLCVWPK-CVEARBPZSA-N 1 0 362.474 2.942 20 5 FFBDRO CC(=O)c1ccc(N2CC[C@@H](OCC[NH+]3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000771237423 1001047722 /nfs/dbraw/zinc/04/77/22/1001047722.db2.gz ZTHANZQZNOTDRQ-QGZVFWFLSA-N 1 0 361.442 2.879 20 5 FFBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001148387428 1001131194 /nfs/dbraw/zinc/13/11/94/1001131194.db2.gz CRGSMKCQTNVKAB-IFXJQAMLSA-N 1 0 368.437 2.817 20 5 FFBDRO CC[C@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000772357146 1001361407 /nfs/dbraw/zinc/36/14/07/1001361407.db2.gz SPXNZDZWEBEADB-HOTGVXAUSA-N 1 0 360.458 2.506 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)CN2CCC[C@H](Oc3ncccc3F)C2)cc1 ZINC000785841255 1001492226 /nfs/dbraw/zinc/49/22/26/1001492226.db2.gz QTPRTXSGJQCJGO-DOTOQJQBSA-N 1 0 361.373 2.706 20 5 FFBDRO C[C@](O)(C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)c1ccc(F)cc1 ZINC000788435243 1001800537 /nfs/dbraw/zinc/80/05/37/1001800537.db2.gz GSDIZKHOLIDYRX-RYRKJORJSA-N 1 0 362.405 2.911 20 5 FFBDRO C[NH+](C)Cc1ccc(C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)cn1 ZINC000774406078 1001897803 /nfs/dbraw/zinc/89/78/03/1001897803.db2.gz MQQICOBLWQXCET-UHFFFAOYSA-N 1 0 366.381 2.694 20 5 FFBDRO COCC[N@H+](Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CC[C@H](C)C1 ZINC000790481340 1002389138 /nfs/dbraw/zinc/38/91/38/1002389138.db2.gz XLQFWMLJUBXTEO-GOEBONIOSA-N 1 0 359.430 2.948 20 5 FFBDRO C[NH+](C)CCOc1ccc(NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)cc1 ZINC000791330845 1002656003 /nfs/dbraw/zinc/65/60/03/1002656003.db2.gz OMSPWBIGFGSFAQ-UHFFFAOYSA-N 1 0 362.361 2.509 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)CN2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000791623345 1002748739 /nfs/dbraw/zinc/74/87/39/1002748739.db2.gz TVWBGHFXGLMKHU-SVFBPWRDSA-N 1 0 367.449 2.692 20 5 FFBDRO COc1ccc(C[C@H](C)[NH2+]CCNC(=O)Nc2ccccc2)c([N+](=O)[O-])c1 ZINC001170305521 1003094185 /nfs/dbraw/zinc/09/41/85/1003094185.db2.gz MIYGICVUSQPQHJ-AWEZNQCLSA-N 1 0 372.425 2.946 20 5 FFBDRO COc1ccc(C[C@H](C)N2c3ccccc3OC[C@@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC001170313966 1003104695 /nfs/dbraw/zinc/10/46/95/1003104695.db2.gz SDHPCSJBZXZGMK-ZFWWWQNUSA-N 1 0 357.410 2.761 20 5 FFBDRO COc1ccc(C[C@H](C)[NH2+][C@H]2CCCN(c3ncccn3)C2)c([N+](=O)[O-])c1 ZINC001170323828 1003111800 /nfs/dbraw/zinc/11/18/00/1003111800.db2.gz MNGPVLOCFXSMHI-HOCLYGCPSA-N 1 0 371.441 2.583 20 5 FFBDRO CCOC(=O)NC1CC[NH+]([C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC001170353816 1003121514 /nfs/dbraw/zinc/12/15/14/1003121514.db2.gz FPDREXIYTUQAKI-ZDUSSCGKSA-N 1 0 365.430 2.745 20 5 FFBDRO COC(=O)[C@]1(C)CCC[N@@H+]([C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170345852 1003131502 /nfs/dbraw/zinc/13/15/02/1003131502.db2.gz MZYFFZWUTCYGAL-FZKQIMNGSA-N 1 0 350.415 2.810 20 5 FFBDRO CCOCC[NH+](CCOCC)[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170348490 1003133283 /nfs/dbraw/zinc/13/32/83/1003133283.db2.gz XSSXFHPJPKENEN-OAHLLOKOSA-N 1 0 354.447 2.909 20 5 FFBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1c1ccc([N+](=O)[O-])cc1C(=O)NC1CC1 ZINC000804813943 1003859887 /nfs/dbraw/zinc/85/98/87/1003859887.db2.gz WIUWZMCVDNSNOH-XJKSGUPXSA-N 1 0 358.442 2.550 20 5 FFBDRO O=[N+]([O-])c1ccccc1-c1nnc(CN2CCC(c3c[nH]cn3)CC2)o1 ZINC001191820523 1003968112 /nfs/dbraw/zinc/96/81/12/1003968112.db2.gz DYLIGCPHXASPMR-UHFFFAOYSA-N 1 0 354.370 2.748 20 5 FFBDRO CC[C@H](C)NC(=O)c1cccc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000776276617 1005342702 /nfs/dbraw/zinc/34/27/02/1005342702.db2.gz LDNHSPSLJXXJAL-IFXJQAMLSA-N 1 0 371.437 2.946 20 5 FFBDRO CC(=O)c1ccc2c(c1)CC[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000776592938 1006009315 /nfs/dbraw/zinc/00/93/15/1006009315.db2.gz DIRPAAJJFPDALI-FQEVSTJZSA-N 1 0 354.406 2.932 20 5 FFBDRO C[C@H]1CN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CCN1c1cc[nH+]cc1 ZINC000881636923 1006166241 /nfs/dbraw/zinc/16/62/41/1006166241.db2.gz RMHIDBQMZXORTG-ZDUSSCGKSA-N 1 0 365.393 2.822 20 5 FFBDRO [NH3+][C@@H]1CCc2ccccc2N(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000852755576 1006169439 /nfs/dbraw/zinc/16/94/39/1006169439.db2.gz UGLIAQJGLRUXLF-CYBMUJFWSA-N 1 0 374.828 2.967 20 5 FFBDRO CC(C)C[C@@H]1C[C@H]1C(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001134197963 1006226446 /nfs/dbraw/zinc/22/64/46/1006226446.db2.gz QBIDHVOOPZVUOO-GDBMZVCRSA-N 1 0 360.458 2.967 20 5 FFBDRO CC(C)c1cc(C(=O)Nc2cc(N3CC[NH+](C)CC3)ccc2[N+](=O)[O-])on1 ZINC001134415864 1006319821 /nfs/dbraw/zinc/31/98/21/1006319821.db2.gz HUJZYQLKCZQEBV-UHFFFAOYSA-N 1 0 373.413 2.710 20 5 FFBDRO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000747958773 1006354291 /nfs/dbraw/zinc/35/42/91/1006354291.db2.gz DCUPAQWZJPIDEX-UONOGXRCSA-N 1 0 367.450 2.559 20 5 FFBDRO C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CCN1c1cc[nH+]cc1 ZINC000883140645 1006668171 /nfs/dbraw/zinc/66/81/71/1006668171.db2.gz ADIXWYKNDTVLCE-GFCCVEGCSA-N 1 0 359.361 2.872 20 5 FFBDRO COc1ccccc1N1CC[C@H]([NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1=O ZINC000815596586 1006705140 /nfs/dbraw/zinc/70/51/40/1006705140.db2.gz YCEBTHOZHJWYGK-WFASDCNBSA-N 1 0 370.409 2.642 20 5 FFBDRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000854225155 1006731410 /nfs/dbraw/zinc/73/14/10/1006731410.db2.gz XAASCLLCYOMGTK-FMEYXAORSA-N 1 0 370.453 2.982 20 5 FFBDRO [NH2+]=c1ccc2nc3c(cc(NC(=O)c4cn[nH]n4)c4ccccc43)oc-2c1 ZINC001189352311 1007048530 /nfs/dbraw/zinc/04/85/30/1007048530.db2.gz XTUWJNOSTHLDFH-UHFFFAOYSA-N 1 0 356.345 2.936 20 5 FFBDRO CC1CC[NH+](CCCNC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)CC1 ZINC001135649663 1007126480 /nfs/dbraw/zinc/12/64/80/1007126480.db2.gz OFUNEPJTPJBRRL-UHFFFAOYSA-N 1 0 371.441 2.837 20 5 FFBDRO O=[N+]([O-])c1cnc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)c2ccccc21 ZINC000884497704 1007465269 /nfs/dbraw/zinc/46/52/69/1007465269.db2.gz FSPRMQIKJIUXNI-HNNXBMFYSA-N 1 0 356.426 2.692 20 5 FFBDRO C[C@@H]1C[C@H](C(=O)OC(C)(C)C)C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000817288625 1007510087 /nfs/dbraw/zinc/51/00/87/1007510087.db2.gz JUFLLAHKEMXUEE-UKPHBRMFSA-N 1 0 364.442 2.928 20 5 FFBDRO COc1cc(NC(=O)C[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc(OC)c1 ZINC001206366096 1032256640 /nfs/dbraw/zinc/25/66/40/1032256640.db2.gz MFPGEASEQCLVRM-UHFFFAOYSA-N 1 0 359.382 2.649 20 5 FFBDRO CC(C)[N@H+](C)Cc1cc(O[C@@H]2CCN(c3cccnc3[N+](=O)[O-])C2)ccn1 ZINC000856536413 1007874470 /nfs/dbraw/zinc/87/44/70/1007874470.db2.gz SQDZVGAHVYHXCF-QGZVFWFLSA-N 1 0 371.441 2.883 20 5 FFBDRO C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1)[C@@H]1CCC[NH2+]C1 ZINC000818533988 1007927586 /nfs/dbraw/zinc/92/75/86/1007927586.db2.gz ZBZJCJQYISIBGT-HZPDHXFCSA-N 1 0 374.485 2.949 20 5 FFBDRO COc1ccccc1OC[C@H](C)C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819195380 1008063596 /nfs/dbraw/zinc/06/35/96/1008063596.db2.gz BOZLGAVNYVGKBH-RHSMWYFYSA-N 1 0 360.410 2.942 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]Cc2ccncc2OCC(F)(F)F)cc1 ZINC000819283948 1008081534 /nfs/dbraw/zinc/08/15/34/1008081534.db2.gz JZXGTTWLPRXZIN-CQSZACIVSA-N 1 0 371.315 2.754 20 5 FFBDRO Cc1ccc(C2=NO[C@H](C[NH2+]C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000819292666 1008084879 /nfs/dbraw/zinc/08/48/79/1008084879.db2.gz VMUUGWWRGDZSJD-PKOBYXMFSA-N 1 0 355.394 2.719 20 5 FFBDRO C[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000819353496 1008105592 /nfs/dbraw/zinc/10/55/92/1008105592.db2.gz YJSOUQSTMKJCHD-NJSLBKSFSA-N 1 0 369.421 2.584 20 5 FFBDRO O=[N+]([O-])c1cccc([C@@H](O)CNc2cccc(C[NH+]3CCC(O)CC3)c2)c1 ZINC000819445005 1008135104 /nfs/dbraw/zinc/13/51/04/1008135104.db2.gz LZRWJJRSXCHJMS-FQEVSTJZSA-N 1 0 371.437 2.697 20 5 FFBDRO C[C@@H]1CN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000820308208 1008315331 /nfs/dbraw/zinc/31/53/31/1008315331.db2.gz HWEKCSXSEKNVOC-AWEZNQCLSA-N 1 0 363.433 2.999 20 5 FFBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC001136379080 1008377655 /nfs/dbraw/zinc/37/76/55/1008377655.db2.gz UHAYSLSXGLAFTE-IJLUTSLNSA-N 1 0 368.865 2.927 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000820952363 1008395421 /nfs/dbraw/zinc/39/54/21/1008395421.db2.gz DIPIINUAMYOEGA-INIZCTEOSA-N 1 0 361.442 2.539 20 5 FFBDRO CCOC(=O)c1cc(C(=O)OCC[C@@H]2CCCC[N@@H+]2C)cc([N+](=O)[O-])c1 ZINC000822043632 1008513417 /nfs/dbraw/zinc/51/34/17/1008513417.db2.gz KWHJLIAHSWQNKA-HNNXBMFYSA-N 1 0 364.398 2.803 20 5 FFBDRO CN(Cc1cccnc1[N+](=O)[O-])C1CC[NH+](CCc2ccccn2)CC1 ZINC000886035975 1008521846 /nfs/dbraw/zinc/52/18/46/1008521846.db2.gz RMROLITUGXYCHL-UHFFFAOYSA-N 1 0 355.442 2.524 20 5 FFBDRO Cc1cccc(C[NH+]2CCN(C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000136818660 1008553270 /nfs/dbraw/zinc/55/32/70/1008553270.db2.gz MFGNEZPXEFTGJN-HXUWFJFHSA-N 1 0 355.438 2.754 20 5 FFBDRO CCOC(=O)CN(CC[NH3+])c1nc2c(ccc3ccccc32)nc1Cl ZINC001170994307 1008708058 /nfs/dbraw/zinc/70/80/58/1008708058.db2.gz OPIGHBIQCLVZMI-UHFFFAOYSA-N 1 0 358.829 2.765 20 5 FFBDRO COc1cccc(C[NH+]2CCC(NC(=O)CCC(C)(C)[N+](=O)[O-])CC2)c1 ZINC000822639223 1008709600 /nfs/dbraw/zinc/70/96/00/1008709600.db2.gz PAQBEKPAUGXIAJ-UHFFFAOYSA-N 1 0 363.458 2.611 20 5 FFBDRO CC(C)(c1nc(Cc2ccc([N+](=O)[O-])cn2)no1)[C@@H]([NH3+])c1ccccc1 ZINC000822861772 1008799997 /nfs/dbraw/zinc/79/99/97/1008799997.db2.gz FXCPXIPSCXIZDM-INIZCTEOSA-N 1 0 353.382 2.941 20 5 FFBDRO O=[N+]([O-])c1ncccc1CN1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000886841466 1008901969 /nfs/dbraw/zinc/90/19/69/1008901969.db2.gz MAULMKOSDBPXCY-UHFFFAOYSA-N 1 0 370.457 2.560 20 5 FFBDRO COc1ccc([C@@H]2C[NH2+]CCN2C(=O)Nc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000887401740 1009195078 /nfs/dbraw/zinc/19/50/78/1009195078.db2.gz FEYGVCFBPLAFQD-KRWDZBQOSA-N 1 0 374.372 2.921 20 5 FFBDRO CO[C@H]1C[N@H+](C)[C@](C)(COC(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)C1 ZINC000861353162 1009370994 /nfs/dbraw/zinc/37/09/94/1009370994.db2.gz MIMAULZURQFLHR-KDOFPFPSSA-N 1 0 366.414 2.648 20 5 FFBDRO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCC(c2ccccc2)([NH+]2CCCC2)CC1 ZINC000887612088 1009387417 /nfs/dbraw/zinc/38/74/17/1009387417.db2.gz CQAYRIOWXPJSHA-UHFFFAOYSA-N 1 0 369.425 2.545 20 5 FFBDRO C[C@@H]1C[C@@H](N(C)C(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)CC[N@@H+]1C ZINC000889164065 1009845534 /nfs/dbraw/zinc/84/55/34/1009845534.db2.gz XFSDFHNIPOHGDK-OCCSQVGLSA-N 1 0 356.426 2.885 20 5 FFBDRO C[NH+]1CCC2(CCN2C(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])CC1 ZINC000889222869 1009868891 /nfs/dbraw/zinc/86/88/91/1009868891.db2.gz DJADGWKZKOMRBW-UHFFFAOYSA-N 1 0 366.421 2.967 20 5 FFBDRO Cc1noc(C[C@@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)c2ccccc2)n1 ZINC001180859629 1009878316 /nfs/dbraw/zinc/87/83/16/1009878316.db2.gz ZFQVPBJEMRFTFB-VMBOVVBDSA-N 1 0 368.397 2.760 20 5 FFBDRO CC(C)[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@H](O)c1ccccc1 ZINC000794609411 1010440270 /nfs/dbraw/zinc/44/02/70/1010440270.db2.gz ZKARYWCXEJPZLV-YSIASYRMSA-N 1 0 374.437 2.682 20 5 FFBDRO Cc1cc(C(=O)NCC[N@H+]2CC=C(C(C)(C)C)CC2)c(N)c([N+](=O)[O-])c1 ZINC000773213885 1010511425 /nfs/dbraw/zinc/51/14/25/1010511425.db2.gz KANWALNRQPWEFE-UHFFFAOYSA-N 1 0 360.458 2.893 20 5 FFBDRO C[NH+](C)[C@H](CNC(=O)Cc1cccc(F)c1[N+](=O)[O-])c1cccc(F)c1 ZINC000864612977 1010526605 /nfs/dbraw/zinc/52/66/05/1010526605.db2.gz YMWTWXAWYYEITR-MRXNPFEDSA-N 1 0 363.364 2.835 20 5 FFBDRO O=[N+]([O-])c1cc(CO)c(N2CCC[N@H+](Cc3ccccc3)CC2)cc1F ZINC000865422354 1010782476 /nfs/dbraw/zinc/78/24/76/1010782476.db2.gz SLJMZYGWUOVDIO-UHFFFAOYSA-N 1 0 359.401 2.939 20 5 FFBDRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNc1ccc([N+](=O)[O-])cc1C(F)F ZINC000865499488 1010800078 /nfs/dbraw/zinc/80/00/78/1010800078.db2.gz OUDLFIVNEDEKAC-OAHLLOKOSA-N 1 0 370.400 2.887 20 5 FFBDRO CN(C)c1cccc(CN(C)Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)c1 ZINC000120639925 1010817896 /nfs/dbraw/zinc/81/78/96/1010817896.db2.gz RHBZPODOYCPFQQ-UHFFFAOYSA-N 1 0 356.382 2.658 20 5 FFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCc1nnc2n1CCCCC2 ZINC000866223587 1010955301 /nfs/dbraw/zinc/95/53/01/1010955301.db2.gz IJZULVDTHQJDIV-ZDUSSCGKSA-N 1 0 361.421 2.815 20 5 FFBDRO CN(CC[NH+]1CC2(C1)CCOCC2)c1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000866257323 1010963478 /nfs/dbraw/zinc/96/34/78/1010963478.db2.gz XXDHWWIAJHLCJI-UHFFFAOYSA-N 1 0 356.426 2.692 20 5 FFBDRO COc1ccc(CC(=O)N2c3ccccc3[C@@H]([NH3+])C2(C)C)cc1[N+](=O)[O-] ZINC000867990975 1011139778 /nfs/dbraw/zinc/13/97/78/1011139778.db2.gz QSTSTJKHOMCORD-GOSISDBHSA-N 1 0 355.394 2.971 20 5 FFBDRO Cc1ccc(CNC(=O)NCc2cccc(C[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000868041267 1011152634 /nfs/dbraw/zinc/15/26/34/1011152634.db2.gz QEXVHVZDNRIWAR-UHFFFAOYSA-N 1 0 356.426 2.964 20 5 FFBDRO CCCCCC[NH+]1CCC2(CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1 ZINC001274885271 1011717956 /nfs/dbraw/zinc/71/79/56/1011717956.db2.gz HIZUERMAGZWYFU-IAGOWNOFSA-N 1 0 351.491 2.937 20 5 FFBDRO Cn1c(=O)ccc2c1CC[C@@H]([NH2+][C@H]1CCc3ccc([N+](=O)[O-])cc3CC1)C2 ZINC001172898954 1012072147 /nfs/dbraw/zinc/07/21/47/1012072147.db2.gz JXPAVGJAPAAIEX-ZWKOTPCHSA-N 1 0 367.449 2.688 20 5 FFBDRO O=C(C[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1)NCc1ccccc1 ZINC001172898070 1012072587 /nfs/dbraw/zinc/07/25/87/1012072587.db2.gz FZFHVIZWGHDJEY-SFHVURJKSA-N 1 0 353.422 2.748 20 5 FFBDRO CN1C[C@@]2(CC1=O)CCCC[N@@H+]2[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172908884 1012079039 /nfs/dbraw/zinc/07/90/39/1012079039.db2.gz OUPLGBACSOHGRD-XLIONFOSSA-N 1 0 357.454 2.929 20 5 FFBDRO CN1C[C@@]2(CC1=O)CCCC[N@@H+]2[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172908883 1012080055 /nfs/dbraw/zinc/08/00/55/1012080055.db2.gz OUPLGBACSOHGRD-PXNSSMCTSA-N 1 0 357.454 2.929 20 5 FFBDRO O=C1OCCN1C1CC[NH+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172919877 1012102020 /nfs/dbraw/zinc/10/20/20/1012102020.db2.gz HTKWDUYEMFHWQF-MRXNPFEDSA-N 1 0 359.426 2.759 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH+]1CCN(C[C@H]3CCCO3)CC1)CC2 ZINC001172912169 1012125968 /nfs/dbraw/zinc/12/59/68/1012125968.db2.gz YMFPRZKCWHJYRH-AZUAARDMSA-N 1 0 359.470 2.639 20 5 FFBDRO CN1C(=O)CC[C@H]2C[N@H+]([C@@H]3CCc4ccc([N+](=O)[O-])cc4CC3)CC[C@H]21 ZINC001172912614 1012126384 /nfs/dbraw/zinc/12/63/84/1012126384.db2.gz KTESXICHUNMFKP-YQVWRLOYSA-N 1 0 357.454 2.785 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH2+]CCN3CCCC3)CC2)c(F)c1 ZINC001173005290 1012173961 /nfs/dbraw/zinc/17/39/61/1012173961.db2.gz BCDJTEBYDDMHBY-UHFFFAOYSA-N 1 0 354.401 2.527 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(N2CCC([N@@H+]3CC[C@H]4OCC[C@H]43)CC2)c(F)c1 ZINC001173010233 1012179245 /nfs/dbraw/zinc/17/92/45/1012179245.db2.gz OKHQXAAQDUGVFA-HZPDHXFCSA-N 1 0 353.369 2.705 20 5 FFBDRO C[C@@H]1C[N@@H+](C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)CCC[C@@H]1O ZINC001173009935 1012179744 /nfs/dbraw/zinc/17/97/44/1012179744.db2.gz KHCVIHFETVZBEJ-PXAZEXFGSA-N 1 0 369.412 2.935 20 5 FFBDRO C[C@H]1C[C@@H]([NH2+]C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)CCO1 ZINC001173011641 1012181314 /nfs/dbraw/zinc/18/13/14/1012181314.db2.gz FVCATQYZNGFGBL-AAEUAGOBSA-N 1 0 355.385 2.999 20 5 FFBDRO CN1CCC[C@](C)([NH2+]C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)C1 ZINC001173013592 1012183710 /nfs/dbraw/zinc/18/37/10/1012183710.db2.gz YBRFDXKGWJWOBB-SFHVURJKSA-N 1 0 368.428 2.916 20 5 FFBDRO C[N@H+](CCN1CCCC1)C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173015612 1012187380 /nfs/dbraw/zinc/18/73/80/1012187380.db2.gz UCOLJCLKHMYJBH-UHFFFAOYSA-N 1 0 368.428 2.869 20 5 FFBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc(-c2cccc(O[C@H]3CC[NH2+]C3)c2)n1 ZINC001217103709 1032610789 /nfs/dbraw/zinc/61/07/89/1032610789.db2.gz DYRFJCVQNUOANR-ZDUSSCGKSA-N 1 0 371.328 2.587 20 5 FFBDRO C[NH+]1CCC(CNC(=O)c2ccccc2[N+](=O)[O-])(c2ccccc2)CC1 ZINC000870191848 1012257273 /nfs/dbraw/zinc/25/72/73/1012257273.db2.gz MPPHNEDNEUGKGX-UHFFFAOYSA-N 1 0 353.422 2.988 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CCO[C@@H]2CCCCO2)c1F ZINC001173182724 1012325966 /nfs/dbraw/zinc/32/59/66/1012325966.db2.gz KXKOUHFOEVDYRP-MLGOLLRUSA-N 1 0 356.394 2.806 20 5 FFBDRO COc1cc(CC[NH2+][C@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])ccn1 ZINC001173188229 1012329450 /nfs/dbraw/zinc/32/94/50/1012329450.db2.gz JHRSHFQZXHTLDH-GFCCVEGCSA-N 1 0 363.389 2.909 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CCC[N@@H+]3CCC[C@@H]3C2)c1F ZINC001173190523 1012331337 /nfs/dbraw/zinc/33/13/37/1012331337.db2.gz UUFJUGKNZLRXQW-ZIAGYGMSSA-N 1 0 351.422 2.844 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C[C@@H]2CCCN(C(C)=O)C2)c1F ZINC001173189330 1012332480 /nfs/dbraw/zinc/33/24/80/1012332480.db2.gz OJMMWIPWKHHMLT-OCCSQVGLSA-N 1 0 367.421 2.522 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]Cc2ccc3c(c2)C(=O)NC3)c1F ZINC001173192871 1012334827 /nfs/dbraw/zinc/33/48/27/1012334827.db2.gz RUEWXLMEIZMHTB-NSHDSACASA-N 1 0 373.384 2.707 20 5 FFBDRO COC(=O)[C@]1(C)CC[N@@H+]([C@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C1 ZINC001173192842 1012334867 /nfs/dbraw/zinc/33/48/67/1012334867.db2.gz KXQKNWDLSMGYKP-PIGZYNQJSA-N 1 0 354.378 2.559 20 5 FFBDRO COC(=O)C[C@@H]1CCC[N@@H+]([C@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C1 ZINC001173198018 1012341816 /nfs/dbraw/zinc/34/18/16/1012341816.db2.gz XLHNYBCZBGNHFY-OLZOCXBDSA-N 1 0 368.405 2.949 20 5 FFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCN1CCN(c2ccccc2)CC1 ZINC001173216927 1012352416 /nfs/dbraw/zinc/35/24/16/1012352416.db2.gz KFPPRGGHYSRSTE-SFHVURJKSA-N 1 0 368.481 2.938 20 5 FFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1CCN(C(=O)C(F)(F)F)CC1 ZINC001173231406 1012363048 /nfs/dbraw/zinc/36/30/48/1012363048.db2.gz YYZJWYYTSWIASB-LLVKDONJSA-N 1 0 359.348 2.669 20 5 FFBDRO COc1nccc(N([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C2CC[NH2+]CC2)n1 ZINC001173238328 1012385854 /nfs/dbraw/zinc/38/58/54/1012385854.db2.gz PRWDCGLFPIJOKA-AWEZNQCLSA-N 1 0 371.441 2.583 20 5 FFBDRO C[NH+]1CCC2(CCN(C(=O)CCC(=O)c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000870506746 1012423126 /nfs/dbraw/zinc/42/31/26/1012423126.db2.gz BIGIBCYVDUOJLZ-UHFFFAOYSA-N 1 0 373.453 2.892 20 5 FFBDRO CC(C)[NH+]1CCC(CCNC(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000870959563 1012651883 /nfs/dbraw/zinc/65/18/83/1012651883.db2.gz MSKKWJUSEBZRPE-UHFFFAOYSA-N 1 0 363.458 2.990 20 5 FFBDRO CCOc1ccc([C@@H](C)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)cc1[N+](=O)[O-] ZINC000925792938 1017848458 /nfs/dbraw/zinc/84/84/58/1017848458.db2.gz BYDWOGBKABIWPB-ZBFHGGJFSA-N 1 0 363.458 2.803 20 5 FFBDRO C[NH+](C)CC[C@H](NC(=O)c1cc(F)c([N+](=O)[O-])cc1F)c1cccnc1 ZINC000928838206 1019153003 /nfs/dbraw/zinc/15/30/03/1019153003.db2.gz UWEKSPCZEPSYKH-HNNXBMFYSA-N 1 0 364.352 2.691 20 5 FFBDRO CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[NH+](Cc2cccc(C(F)F)c2)CC1 ZINC001045437679 1019966293 /nfs/dbraw/zinc/96/62/93/1019966293.db2.gz YKZDIZVDEUNECP-HUUCEWRRSA-N 1 0 367.396 2.760 20 5 FFBDRO Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C3)cc1 ZINC001048525137 1020276112 /nfs/dbraw/zinc/27/61/12/1020276112.db2.gz MWEYUWYWPLIRPE-RHQZKXFESA-N 1 0 357.454 2.519 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](OC[C@@H]2C[C@@H]3CC[NH2+]C[C@@H]3O2)C(F)(F)F)cc1 ZINC001217916647 1032906550 /nfs/dbraw/zinc/90/65/50/1032906550.db2.gz JSZYJDUHVYINQO-CYUUQNCZSA-N 1 0 360.332 2.982 20 5 FFBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000931725075 1020564352 /nfs/dbraw/zinc/56/43/52/1020564352.db2.gz NNGIJRPYYMMTJF-BJJXKVORSA-N 1 0 357.414 2.874 20 5 FFBDRO O=[N+]([O-])c1cc(Br)cc(F)c1O[C@H]1CCC[NH2+]C[C@@H]1F ZINC001217950529 1032915472 /nfs/dbraw/zinc/91/54/72/1032915472.db2.gz PTSWGLHITOBVHO-ONGXEEELSA-N 1 0 351.147 2.965 20 5 FFBDRO C[C@@H]1C[N@H+](Cc2cccnc2[N+](=O)[O-])C[C@H]1CCNC(=O)OC(C)(C)C ZINC000931957017 1020646868 /nfs/dbraw/zinc/64/68/68/1020646868.db2.gz UAVRUJXNZYKTPU-ZIAGYGMSSA-N 1 0 364.446 2.973 20 5 FFBDRO COc1ccc(COC[C@H](O)C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000932180597 1020734430 /nfs/dbraw/zinc/73/44/30/1020734430.db2.gz AGCMDYRRRMHXKA-RDTXWAMCSA-N 1 0 360.410 2.832 20 5 FFBDRO COc1cc([C@H](C)[NH2+][C@@H]2Cc3ccccc3N(C)C2=O)cc([N+](=O)[O-])c1 ZINC000903200722 1020735642 /nfs/dbraw/zinc/73/56/42/1020735642.db2.gz SNDBIKRPKVNXET-YVEFUNNKSA-N 1 0 355.394 2.842 20 5 FFBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N(CC[NH+](C)C)Cc1ccccn1 ZINC000932211314 1020743615 /nfs/dbraw/zinc/74/36/15/1020743615.db2.gz XLXCCKNGFDNHOX-UHFFFAOYSA-N 1 0 374.466 2.916 20 5 FFBDRO CC(C)C[N@@H+](Cc1ccccn1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000932450348 1020806608 /nfs/dbraw/zinc/80/66/08/1020806608.db2.gz ZOSDGTAYNHSLOA-QGZVFWFLSA-N 1 0 359.426 2.888 20 5 FFBDRO O=c1[nH]c2cccc(N3CC[NH+](CCc4ccc([N+](=O)[O-])cc4)CC3)c2[nH]1 ZINC000932514775 1020823181 /nfs/dbraw/zinc/82/31/81/1020823181.db2.gz UJSACPQFQHPHPG-UHFFFAOYSA-N 1 0 367.409 2.541 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(O[C@H]2C[NH2+]CCC[C@@H]2F)c(Br)c1 ZINC001217982137 1032933637 /nfs/dbraw/zinc/93/36/37/1032933637.db2.gz SCGATEFRVJAHOF-ONGXEEELSA-N 1 0 351.147 2.965 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCCN2CCc3ccccc3C2)c1 ZINC000749674212 1021018459 /nfs/dbraw/zinc/01/84/59/1021018459.db2.gz VWJNYDLLTDXOGR-HXUWFJFHSA-N 1 0 355.438 2.666 20 5 FFBDRO C[C@H](C(=O)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC001116684004 1021354561 /nfs/dbraw/zinc/35/45/61/1021354561.db2.gz FFNZNVAZPZNNJU-BRWVUGGUSA-N 1 0 374.485 2.500 20 5 FFBDRO CN(C(=O)C[N@@H+]1CCCC[C@@H]([C@@H]2CCOC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000934844351 1021425695 /nfs/dbraw/zinc/42/56/95/1021425695.db2.gz YZIPSESVWNNVGW-HZPDHXFCSA-N 1 0 361.442 2.696 20 5 FFBDRO O=C(C[N@@H+]1CCCC[C@H]([C@H]2CCOC2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000934841628 1021426395 /nfs/dbraw/zinc/42/63/95/1021426395.db2.gz NBCALIFUCPDXJQ-IRXDYDNUSA-N 1 0 373.453 2.623 20 5 FFBDRO O=C(C[NH2+]C1(C2CC2)CCOCC1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC001117127922 1021579784 /nfs/dbraw/zinc/57/97/84/1021579784.db2.gz ZRERZEZIYPLYMM-UHFFFAOYSA-N 1 0 353.806 2.736 20 5 FFBDRO O=[N+]([O-])c1ccc(I)c(O[C@H]2CC[C@@]23CC[NH2+]C3)c1 ZINC001218120065 1033007710 /nfs/dbraw/zinc/00/77/10/1033007710.db2.gz SNXSDUIEXIHEOM-STQMWFEESA-N 1 0 374.178 2.720 20 5 FFBDRO CCC1([NH3+])CCN(C(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC001119315398 1022676461 /nfs/dbraw/zinc/67/64/61/1022676461.db2.gz JUYMHIQUHGPMEK-NSHDSACASA-N 1 0 355.822 2.745 20 5 FFBDRO Cn1nnnc1CCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC001120250152 1023281812 /nfs/dbraw/zinc/28/18/12/1023281812.db2.gz UAMKEYADRRTRKC-UHFFFAOYSA-N 1 0 358.427 2.569 20 5 FFBDRO C[C@H]1[NH2+]C[C@@H]1Oc1c(Br)cc(Br)cc1[N+](=O)[O-] ZINC001218385336 1033130490 /nfs/dbraw/zinc/13/04/90/1033130490.db2.gz LGVCJOROURHZEO-ANLVUFKYSA-N 1 0 366.009 2.859 20 5 FFBDRO O=[N+]([O-])c1cn(C[N@@H+]2CC[C@H](C3CCOCC3)C2)nc1-c1ccncc1 ZINC000754784937 1023517581 /nfs/dbraw/zinc/51/75/81/1023517581.db2.gz RMFVOTSVFAPGQP-INIZCTEOSA-N 1 0 357.414 2.559 20 5 FFBDRO O=[N+]([O-])c1ccc(O[C@@H]2CC[C@H]3C[NH2+]C[C@@H]32)c(I)c1 ZINC001218458865 1033165509 /nfs/dbraw/zinc/16/55/09/1033165509.db2.gz ABBKCZFTCAJVSP-PTOFAABTSA-N 1 0 374.178 2.576 20 5 FFBDRO CCn1c([C@H](C)[N+](=O)[O-])nnc1N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC001121700856 1023934509 /nfs/dbraw/zinc/93/45/09/1023934509.db2.gz ZVSKEEFDUHQURK-CVEARBPZSA-N 1 0 372.473 2.737 20 5 FFBDRO Cc1c(C(=O)NC[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC001123932793 1024156887 /nfs/dbraw/zinc/15/68/87/1024156887.db2.gz CUYYKYWQYYTMNB-YJBOKZPZSA-N 1 0 361.442 2.524 20 5 FFBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)C1(C(F)(F)F)CC[NH2+]CC1 ZINC001121973763 1024221215 /nfs/dbraw/zinc/22/12/15/1024221215.db2.gz DCZGHUYNUQFXEL-UHFFFAOYSA-N 1 0 365.739 2.797 20 5 FFBDRO [NH3+][C@@H]1CCCCCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000638831667 1026036815 /nfs/dbraw/zinc/03/68/15/1026036815.db2.gz HSBLWIYVFSSFIH-MRXNPFEDSA-N 1 0 363.461 2.885 20 5 FFBDRO CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)OCCC[NH+]1CCCCC1 ZINC000838093983 1026201598 /nfs/dbraw/zinc/20/15/98/1026201598.db2.gz BNDMFTKJAZCFRX-UHFFFAOYSA-N 1 0 367.377 2.725 20 5 FFBDRO Cc1ccc(COC(=O)[C@@H]2CN(Cc3ccccc3)CCO2)cc1[N+](=O)[O-] ZINC000839395936 1026665542 /nfs/dbraw/zinc/66/55/42/1026665542.db2.gz FFWKYHIGTVBQJR-IBGZPJMESA-N 1 0 370.405 2.847 20 5 FFBDRO O=C(CCn1cc([N+](=O)[O-])cn1)OCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000840225416 1027011253 /nfs/dbraw/zinc/01/12/53/1027011253.db2.gz XPJWCRATIGHDJM-UHFFFAOYSA-N 1 0 372.425 2.911 20 5 FFBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CCC[C@H]([NH3+])c3cc(C)ccc32)n1 ZINC001158738253 1027117784 /nfs/dbraw/zinc/11/77/84/1027117784.db2.gz ZFNSPWBVWAJOOV-AWEZNQCLSA-N 1 0 370.413 2.892 20 5 FFBDRO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1ccc2ccc3ccc(Cl)nc3c2n1 ZINC001159755725 1027490604 /nfs/dbraw/zinc/49/06/04/1027490604.db2.gz WQNVUXWGMWHJEZ-ZIAGYGMSSA-N 1 0 370.840 2.999 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(F)c(C(=O)NCCCCc2cc[nH+]c(N)c2)c1F ZINC001160244067 1027648179 /nfs/dbraw/zinc/64/81/79/1027648179.db2.gz JEONOENEYVKHJJ-UHFFFAOYSA-N 1 0 364.352 2.911 20 5 FFBDRO CCOC(=O)c1cc(Nc2cccc3c2[C@@H]2C[NH2+]C[C@H]2O3)cc([N+](=O)[O-])c1 ZINC001160394322 1027693264 /nfs/dbraw/zinc/69/32/64/1027693264.db2.gz HGNQPVVBTOYLBU-RHSMWYFYSA-N 1 0 369.377 2.963 20 5 FFBDRO Cc1ccc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1[N+](=O)[O-] ZINC000093534359 1027754524 /nfs/dbraw/zinc/75/45/24/1027754524.db2.gz OGVARNWHSPWFTA-AWEZNQCLSA-N 1 0 357.370 2.893 20 5 FFBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1-n1cc(C[NH3+])c2c1cccc2OC ZINC001160763967 1027868674 /nfs/dbraw/zinc/86/86/74/1027868674.db2.gz ZWHYNDUDHHVFNC-UHFFFAOYSA-N 1 0 370.365 2.578 20 5 FFBDRO Cc1nn(CN2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1[N+](=O)[O-] ZINC000795710136 1027901933 /nfs/dbraw/zinc/90/19/33/1027901933.db2.gz KRMSYRJXDSGAMT-LJQANCHMSA-N 1 0 355.442 2.655 20 5 FFBDRO C[NH+](C)CC1(CNC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)CCCC1 ZINC001153871784 1028036479 /nfs/dbraw/zinc/03/64/79/1028036479.db2.gz FESIROCHYXNWBO-UHFFFAOYSA-N 1 0 371.441 2.837 20 5 FFBDRO CC[NH+](CC)CCCC1CCN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)CC1 ZINC001154112024 1028150355 /nfs/dbraw/zinc/15/03/55/1028150355.db2.gz QBIVBQAMKDXGHA-UHFFFAOYSA-N 1 0 363.462 2.546 20 5 FFBDRO COCCC1([NH3+])CCN(C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)CC1 ZINC001162041392 1028411852 /nfs/dbraw/zinc/41/18/52/1028411852.db2.gz HWMYCNJCORGSLH-UHFFFAOYSA-N 1 0 364.780 2.522 20 5 FFBDRO COc1nc(C)c([N+](=O)[O-])c(-n2cc(CC[NH3+])c3c2cccc3Cl)n1 ZINC001162659287 1028613521 /nfs/dbraw/zinc/61/35/21/1028613521.db2.gz YDLYWQHLVCJHAN-UHFFFAOYSA-N 1 0 361.789 2.800 20 5 FFBDRO CCOC1(OCC)CC[NH2+]C[C@H]1Nc1nccc2cc([N+](=O)[O-])ccc21 ZINC001155230874 1028637141 /nfs/dbraw/zinc/63/71/41/1028637141.db2.gz DWBOAYDQUHKATF-MRXNPFEDSA-N 1 0 360.414 2.686 20 5 FFBDRO CC/C=C/CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001162809981 1028664785 /nfs/dbraw/zinc/66/47/85/1028664785.db2.gz AWPGCKPYDZXUOH-DUFJLWIISA-N 1 0 359.470 2.669 20 5 FFBDRO CC(C)C[N@@H+]1CC[C@H](CNc2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])C1 ZINC001162818762 1028669796 /nfs/dbraw/zinc/66/97/96/1028669796.db2.gz KGDJCZROAOGSNN-CQSZACIVSA-N 1 0 358.442 2.837 20 5 FFBDRO CC(C)[C@H]1CCC[N@H+](CN2C(=O)N[C@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000780497731 1028716517 /nfs/dbraw/zinc/71/65/17/1028716517.db2.gz MMSDLJTWPBEKNA-IFXJQAMLSA-N 1 0 374.441 2.687 20 5 FFBDRO Cc1ccc2c(c1)[C@@H](Nc1cc([N+](=O)[O-])cc[n+]1[O-])CC21CC[NH2+]CC1 ZINC001155430974 1028730943 /nfs/dbraw/zinc/73/09/43/1028730943.db2.gz OCOBPHGTARWPSL-KRWDZBQOSA-N 1 0 354.410 2.715 20 5 FFBDRO O=[N+]([O-])c1ccc2ncc(NCC[C@H]3C[NH2+]Cc4cccn4C3)nc2c1 ZINC001155453935 1028741652 /nfs/dbraw/zinc/74/16/52/1028741652.db2.gz MGQFRGCHNNJGGB-ZDUSSCGKSA-N 1 0 352.398 2.561 20 5 FFBDRO CC(=O)Nc1ccc(NCC[C@@H]2C[NH2+]Cc3cccn3C2)cc1[N+](=O)[O-] ZINC001163062865 1028782062 /nfs/dbraw/zinc/78/20/62/1028782062.db2.gz DITROZRJAYAHFH-CQSZACIVSA-N 1 0 357.414 2.576 20 5 FFBDRO COc1cccc(N(c2cc(OC)c([N+](=O)[O-])cn2)C2CC[NH2+]CC2)c1 ZINC001155605287 1028813058 /nfs/dbraw/zinc/81/30/58/1028813058.db2.gz BQKCGJOTJFXHBY-UHFFFAOYSA-N 1 0 358.398 2.897 20 5 FFBDRO COc1cccc(N(c2ncc(OC)cc2[N+](=O)[O-])C2CC[NH2+]CC2)c1 ZINC001155605779 1028814221 /nfs/dbraw/zinc/81/42/21/1028814221.db2.gz IHLNQIZVSVZEQF-UHFFFAOYSA-N 1 0 358.398 2.897 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2ccc(NC[C@H]3CO[C@]4(C3)CCC[NH2+]C4)nn2)c1 ZINC001163279373 1028870324 /nfs/dbraw/zinc/87/03/24/1028870324.db2.gz MWHGKZFLUMJEOF-LIRRHRJNSA-N 1 0 369.425 2.622 20 5 FFBDRO O=[N+]([O-])c1cc(N[C@H]2CCO[C@]3(CC[NH2+]C3)C2)ccc1OC(F)(F)F ZINC001163322038 1028892909 /nfs/dbraw/zinc/89/29/09/1028892909.db2.gz GAAIGSYKJGBYAQ-SMDDNHRTSA-N 1 0 361.320 2.816 20 5 FFBDRO O=[N+]([O-])c1ccc(Oc2ncc(N[C@H]3CCO[C@]4(CC[NH2+]C4)C3)cn2)cc1 ZINC001163322213 1028893549 /nfs/dbraw/zinc/89/35/49/1028893549.db2.gz GYXHADHQNFESIP-SCLBCKFNSA-N 1 0 371.397 2.500 20 5 FFBDRO [NH3+]CCCC[C@H](Nc1ccc2cccc([N+](=O)[O-])c2n1)C(=O)N1CCCC1 ZINC001163456263 1028930841 /nfs/dbraw/zinc/93/08/41/1028930841.db2.gz DHCNVJHMPLJGQH-HNNXBMFYSA-N 1 0 371.441 2.675 20 5 FFBDRO COC(=O)c1ccc([C@H]([NH3+])CNc2nccc(Cl)c2[N+](=O)[O-])cc1 ZINC001163463089 1028935913 /nfs/dbraw/zinc/93/59/13/1028935913.db2.gz XSHWEASDMLECJO-GFCCVEGCSA-N 1 0 350.762 2.542 20 5 FFBDRO COC(=O)c1ccc([C@H]([NH3+])CNc2nc(C)cc(Cl)c2[N+](=O)[O-])cc1 ZINC001163462926 1028936300 /nfs/dbraw/zinc/93/63/00/1028936300.db2.gz UBJVADSKNNGXCF-CYBMUJFWSA-N 1 0 364.789 2.850 20 5 FFBDRO COC(=O)c1cnc(-n2c(C)c(C)c3cc(C[NH3+])ccc32)c([N+](=O)[O-])c1 ZINC001155901205 1028966133 /nfs/dbraw/zinc/96/61/33/1028966133.db2.gz AEJOJDOLCKWAAI-UHFFFAOYSA-N 1 0 354.366 2.796 20 5 FFBDRO C[N@@H+]1CCN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C[C@H]1C(C)(C)C ZINC001163929115 1029118794 /nfs/dbraw/zinc/11/87/94/1029118794.db2.gz GTUAINFAVYLUHU-AWEZNQCLSA-N 1 0 371.384 2.999 20 5 FFBDRO Nc1cc([N+](=O)[O-])cnc1N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC001156316650 1029141635 /nfs/dbraw/zinc/14/16/35/1029141635.db2.gz HIXCKAVUGPEHOW-UWWQBHOKSA-N 1 0 353.426 2.895 20 5 FFBDRO O=C(NCCC1(C[NH2+]Cc2ccc(Cl)c(F)c2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001164490533 1029295420 /nfs/dbraw/zinc/29/54/20/1029295420.db2.gz LPNLTZWQNQBYDG-IUODEOHRSA-N 1 0 369.824 2.520 20 5 FFBDRO Cc1cc(Cl)nc(N2CCC(C)([NH+]3CCOCC3)CC2)c1[N+](=O)[O-] ZINC001165134808 1029415064 /nfs/dbraw/zinc/41/50/64/1029415064.db2.gz NPWOKQGNHVQPKP-UHFFFAOYSA-N 1 0 354.838 2.643 20 5 FFBDRO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1N(C)c1cc(N)c([N+](=O)[O-])cn1 ZINC001165183083 1029438844 /nfs/dbraw/zinc/43/88/44/1029438844.db2.gz PXKGATLLTAGDDP-KDOFPFPSSA-N 1 0 355.442 2.919 20 5 FFBDRO CC(C)(C)OC(=O)[C@H](CCCC[NH3+])Nc1ccc2[nH]cc([N+](=O)[O-])c2n1 ZINC001157169795 1029491918 /nfs/dbraw/zinc/49/19/18/1029491918.db2.gz VFPOFFLRWGNOQC-LBPRGKRZSA-N 1 0 363.418 2.722 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(N(Cc2ccccc2)[C@@H]2CCC[NH2+]C2)n1 ZINC001157433396 1029584853 /nfs/dbraw/zinc/58/48/53/1029584853.db2.gz LUDRPFVFKCYQHJ-OAHLLOKOSA-N 1 0 370.409 2.535 20 5 FFBDRO CC(C)Oc1ccc2c(c1)oc1ccc(C(=O)N3CC(C)([NH3+])C3)cc1c2=O ZINC001157665172 1029640631 /nfs/dbraw/zinc/64/06/31/1029640631.db2.gz OLDSBRZAAZOEIE-UHFFFAOYSA-N 1 0 366.417 2.907 20 5 FFBDRO O=C(NCCC[NH2+]C1c2ccccc2-c2ccccc21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157767847 1029658742 /nfs/dbraw/zinc/65/87/42/1029658742.db2.gz XRGWMFMLWNAFQU-QZTJIDSGSA-N 1 0 351.406 2.518 20 5 FFBDRO O=C(CC[N@@H+]1CCC[C@]2(CCCOC2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000782506210 1029724699 /nfs/dbraw/zinc/72/46/99/1029724699.db2.gz CDBSSJJJGXRTSA-SFHVURJKSA-N 1 0 365.405 2.955 20 5 FFBDRO O=C(CC[N@H+]1CCc2ccc(O)cc2CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000782512104 1029727096 /nfs/dbraw/zinc/72/70/96/1029727096.db2.gz AQKBUGINSGSFCE-UHFFFAOYSA-N 1 0 373.384 2.869 20 5 FFBDRO COc1ccc(CN(c2ncc([N+](=O)[O-])c(C)n2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001158165347 1029748936 /nfs/dbraw/zinc/74/89/36/1029748936.db2.gz PVWWZFXHFFNLBO-WKILWMFISA-N 1 0 371.441 2.978 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)n1 ZINC001158272246 1029782170 /nfs/dbraw/zinc/78/21/70/1029782170.db2.gz WJABVUPYEUUMOA-DIFFPNOSSA-N 1 0 350.419 2.732 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)n1 ZINC001158272245 1029782261 /nfs/dbraw/zinc/78/22/61/1029782261.db2.gz WJABVUPYEUUMOA-APPDUMDISA-N 1 0 350.419 2.732 20 5 FFBDRO CCOc1nc(N(c2cc(OC)ccn2)C2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC001158323201 1029798271 /nfs/dbraw/zinc/79/82/71/1029798271.db2.gz XZKVMVGIJAESFT-UHFFFAOYSA-N 1 0 373.413 2.682 20 5 FFBDRO Cc1cc(N(c2ccc3[nH]cc([N+](=O)[O-])c3n2)C2CC[NH2+]CC2)nc(C)n1 ZINC001158391323 1029818279 /nfs/dbraw/zinc/81/82/79/1029818279.db2.gz BEOWFSPATORRQI-UHFFFAOYSA-N 1 0 367.413 2.768 20 5 FFBDRO O=[N+]([O-])c1c(Cl)ccc2nc(N3CCO[C@@H]4C[NH2+]CC[C@@H]4C3)ccc21 ZINC001165292725 1029934215 /nfs/dbraw/zinc/93/42/15/1029934215.db2.gz QZDZCLLWFGIBLI-IAQYHMDHSA-N 1 0 362.817 2.611 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccc(CC[NH3+])cc1 ZINC000841226802 1030118897 /nfs/dbraw/zinc/11/88/97/1030118897.db2.gz APTQQLOSUQGHIW-UHFFFAOYSA-N 1 0 358.398 2.816 20 5 FFBDRO O=C1NCC2(CC[NH+](Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)CC2)O1 ZINC000783722580 1030254275 /nfs/dbraw/zinc/25/42/75/1030254275.db2.gz GJKLNTHBEHCJJY-UHFFFAOYSA-N 1 0 357.366 2.929 20 5 FFBDRO CC(C)(C)[C@@H]1CC[N@H+](CN2C(=O)N[C@@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000784031121 1030431554 /nfs/dbraw/zinc/43/15/54/1030431554.db2.gz JWIXJHQIAGMSJX-KUHUBIRLSA-N 1 0 374.441 2.687 20 5 FFBDRO Cc1cc(C(=O)N2CCC[C@@H]2c2nc([C@@H]([NH3+])C(C)C)no2)ccc1[N+](=O)[O-] ZINC000843151171 1031215138 /nfs/dbraw/zinc/21/51/38/1031215138.db2.gz CXNSUKVYSHPWOU-CABCVRRESA-N 1 0 373.413 2.919 20 5 FFBDRO COc1cc(Cc2noc(C[C@@H](C)C3CC[NH2+]CC3)n2)ccc1[N+](=O)[O-] ZINC000843192673 1031235491 /nfs/dbraw/zinc/23/54/91/1031235491.db2.gz WQBPBTVZQRATIH-GFCCVEGCSA-N 1 0 360.414 2.755 20 5 FFBDRO [NH2+]=c1ccc2nc3c(cc(NC(=O)[C@H]4CNC(=O)C4)c4ccccc43)oc-2c1 ZINC001143297923 1031398915 /nfs/dbraw/zinc/39/89/15/1031398915.db2.gz NRROEHPOPQWNOZ-LLVKDONJSA-N 1 0 372.384 2.640 20 5 FFBDRO O=C(NCC1([NH2+]CCCc2ccsc2)CCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001115530588 1031786930 /nfs/dbraw/zinc/78/69/30/1031786930.db2.gz FZMUCCUTZBOBGH-HZPDHXFCSA-N 1 0 365.499 2.755 20 5 FFBDRO Cc1ccc(F)cc1C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCCC1 ZINC001115530930 1031789218 /nfs/dbraw/zinc/78/92/18/1031789218.db2.gz ZJJWWHNHTWQTOI-IAGOWNOFSA-N 1 0 363.433 2.708 20 5 FFBDRO O=C(NCC1([NH2+]Cc2cccc(F)c2F)CCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001115530898 1031789802 /nfs/dbraw/zinc/78/98/02/1031789802.db2.gz XQVBEPQEJDHUER-UKRRQHHQSA-N 1 0 367.396 2.539 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC001151550974 1031981939 /nfs/dbraw/zinc/98/19/39/1031981939.db2.gz KEYXYOXUWZWYBY-UHOFOFEASA-N 1 0 367.833 2.572 20 5 FFBDRO CC(C)(C)OC[C@H]([NH3+])CC(=O)n1c2ccccc2cc2c(=O)c(N)ccc1-2 ZINC001219256036 1033575955 /nfs/dbraw/zinc/57/59/55/1033575955.db2.gz PSXUJHFMLXAZRF-CQSZACIVSA-N 1 0 367.449 2.861 20 5 FFBDRO COc1cccc(COC[C@@H]2CCC3(CC[NH+](C)CC3)O2)c1[N+](=O)[O-] ZINC001223809323 1033600076 /nfs/dbraw/zinc/60/00/76/1033600076.db2.gz PGSQCKOCWBMUHO-HNNXBMFYSA-N 1 0 350.415 2.763 20 5 FFBDRO COCC[NH+]1CCC(Oc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC001225662419 1034355673 /nfs/dbraw/zinc/35/56/73/1034355673.db2.gz SPAVRCFATIAILT-UHFFFAOYSA-N 1 0 359.220 2.847 20 5 FFBDRO Cc1ccnc(O[C@H](C)[C@H]2CN(Cc3ccccc3)CCO2)c1[N+](=O)[O-] ZINC001226120345 1034534720 /nfs/dbraw/zinc/53/47/20/1034534720.db2.gz UJMUHLCANAPBNE-NVXWUHKLSA-N 1 0 357.410 2.967 20 5 FFBDRO Nc1cc(O[C@H](C[N+](=O)[O-])c2ccc3c(c2)OCO3)c2ccccc2[nH+]1 ZINC001226422665 1034676834 /nfs/dbraw/zinc/67/68/34/1034676834.db2.gz NZYJZNIFJBSVEB-QGZVFWFLSA-N 1 0 353.334 2.943 20 5 FFBDRO CC1([NH+]2CCCCC2)CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000832254228 1034677765 /nfs/dbraw/zinc/67/77/65/1034677765.db2.gz VYFZEYUNZXHYMN-UHFFFAOYSA-N 1 0 361.442 2.841 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(OC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC001227044148 1034919601 /nfs/dbraw/zinc/91/96/01/1034919601.db2.gz LSVFCKHUUUYPRH-UHFFFAOYSA-N 1 0 357.366 2.824 20 5 FFBDRO Cc1cnc(O[C@@H](C)[C@@H]2CN(Cc3ccccc3)CCO2)c([N+](=O)[O-])c1 ZINC001227236014 1034981203 /nfs/dbraw/zinc/98/12/03/1034981203.db2.gz BEGRTOFDDXSIPR-YJBOKZPZSA-N 1 0 357.410 2.967 20 5 FFBDRO COCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001232228341 1035507960 /nfs/dbraw/zinc/50/79/60/1035507960.db2.gz PHIGUGIJXMUVAF-QGZVFWFLSA-N 1 0 364.449 2.510 20 5 FFBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cc(Cl)cc(OC(F)(F)F)c1 ZINC001227865281 1035776765 /nfs/dbraw/zinc/77/67/65/1035776765.db2.gz JSHBOTNBSSOVKZ-SNVBAGLBSA-N 1 0 356.748 2.601 20 5 FFBDRO CC[N@@H+]1CC[C@H](Oc2ccc([N+](=O)[O-])c(I)c2)C1 ZINC001227993245 1035855405 /nfs/dbraw/zinc/85/54/05/1035855405.db2.gz ZQURZKMADYGLHE-JTQLQIEISA-N 1 0 362.167 2.672 20 5 FFBDRO CC(=O)O[C@@H]1C[C@@H]2C[C@H](Oc3c(Cl)cccc3[N+](=O)[O-])C[C@H]1[N@@H+]2C ZINC001227999865 1035862984 /nfs/dbraw/zinc/86/29/84/1035862984.db2.gz FSGVMMUMRPNMKW-UOVKNHIHSA-N 1 0 354.790 2.794 20 5 FFBDRO Cc1ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c(C(=O)c2ccccc2)c1 ZINC001228226253 1036004222 /nfs/dbraw/zinc/00/42/22/1036004222.db2.gz WUUFKUILAWBGGO-QGZVFWFLSA-N 1 0 356.442 2.589 20 5 FFBDRO Cc1[nH]c(=O)cc(OC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c1[N+](=O)[O-] ZINC001228688083 1036257901 /nfs/dbraw/zinc/25/79/01/1036257901.db2.gz DLXOBDSWZCJJJA-MRXNPFEDSA-N 1 0 373.409 2.674 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1C[C@H](C)Oc1ccc(C(=O)CC[NH+](C)C)cc1 ZINC001229302657 1036602788 /nfs/dbraw/zinc/60/27/88/1036602788.db2.gz LXVBTAQFIOPLBR-ZDUSSCGKSA-N 1 0 360.414 2.702 20 5 FFBDRO CCC(C)(C)c1cc([N+](=O)[O-])c(OC[C@H]2CN(C)CCO2)c([N+](=O)[O-])c1 ZINC001233528806 1036671775 /nfs/dbraw/zinc/67/17/75/1036671775.db2.gz OCXNOMCFJZVCBA-CYBMUJFWSA-N 1 0 367.402 2.900 20 5 FFBDRO CC(C)CCC[N@H+](CC1CC1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001277388149 1036680576 /nfs/dbraw/zinc/68/05/76/1036680576.db2.gz GWECXTLVUWEXQY-QZTJIDSGSA-N 1 0 351.491 2.791 20 5 FFBDRO CC(=O)N1CCC(C(=O)c2cc(F)ccc2O[C@@H](C)C[N+](C)(C)C)CC1 ZINC001229574317 1036754385 /nfs/dbraw/zinc/75/43/85/1036754385.db2.gz ICLWSAVGEBWHMO-AWEZNQCLSA-N 1 0 365.469 2.740 20 5 FFBDRO CN1CCO[C@H](COc2cc(C(F)(F)F)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC001233971009 1036848936 /nfs/dbraw/zinc/84/89/36/1036848936.db2.gz YSXMLKCRDXTUEI-NSHDSACASA-N 1 0 371.315 2.871 20 5 FFBDRO O=c1oc2cc(O)ccc2c2cc(O[C@H]3C[NH+]4CCC3CC4)c(O)cc12 ZINC001229802195 1036908298 /nfs/dbraw/zinc/90/82/98/1036908298.db2.gz IIEYATFABKDJDI-IBGZPJMESA-N 1 0 353.374 2.830 20 5 FFBDRO COCCC[NH+]1CCC(Oc2c(C(=O)OC)ccc(C)c2[N+](=O)[O-])CC1 ZINC001229900123 1036970027 /nfs/dbraw/zinc/97/00/27/1036970027.db2.gz RBQUTTJHBOWDPQ-UHFFFAOYSA-N 1 0 366.414 2.570 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC001208345695 1038235742 /nfs/dbraw/zinc/23/57/42/1038235742.db2.gz YGPXURCCNYRSCE-TZMCWYRMSA-N 1 0 369.487 2.610 20 5 FFBDRO COc1cc(N2CCC([N@@H+]3CCO[C@@H](C(C)C)C3)CC2)ccc1[N+](=O)[O-] ZINC001256101624 1038387251 /nfs/dbraw/zinc/38/72/51/1038387251.db2.gz PTAUPCKVWZBOOQ-LJQANCHMSA-N 1 0 363.458 2.929 20 5 FFBDRO C[C@H]1C[NH+](CCc2nnc(-c3cc(F)c(F)cc3[N+](=O)[O-])o2)C[C@H](C)O1 ZINC001258136615 1039216058 /nfs/dbraw/zinc/21/60/58/1039216058.db2.gz CBNYXXVSYIIBFN-UWVGGRQHSA-N 1 0 368.340 2.575 20 5 FFBDRO COC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Br ZINC001258333536 1039317064 /nfs/dbraw/zinc/31/70/64/1039317064.db2.gz RUYXEJUMTMJUMD-DGCLKSJQSA-N 1 0 357.204 2.789 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CC[C@]3(C2)CCC[NH2+]C3)c1F ZINC001246600010 1039411352 /nfs/dbraw/zinc/41/13/52/1039411352.db2.gz CNTAXULRMWHZGN-SCLBCKFNSA-N 1 0 351.422 2.749 20 5 FFBDRO CN(C[C@@H]1CCC[NH2+]1)C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001246889432 1039519429 /nfs/dbraw/zinc/51/94/29/1039519429.db2.gz PXDJHOZKTPNFBH-LBPRGKRZSA-N 1 0 354.401 2.526 20 5 FFBDRO CN(C)c1cc[nH+]c(CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)c1 ZINC001537761531 1070254488 /nfs/dbraw/zinc/25/44/88/1070254488.db2.gz GZORBFYHZZTIAY-UHFFFAOYSA-N 1 0 355.398 2.560 20 5 FFBDRO [NH3+][C@H](CCc1ccccc1)Cc1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001248156137 1040152540 /nfs/dbraw/zinc/15/25/40/1040152540.db2.gz ACYFOXGVWDJEMU-CYBMUJFWSA-N 1 0 357.345 2.682 20 5 FFBDRO Cn1cc2cccc(-c3noc(C[C@@H]([NH3+])c4ccccc4[N+](=O)[O-])n3)c2n1 ZINC001249342497 1040692892 /nfs/dbraw/zinc/69/28/92/1040692892.db2.gz PFHSJXOUNUBYSF-CQSZACIVSA-N 1 0 364.365 2.774 20 5 FFBDRO COc1ccc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)nc1OC ZINC001254470774 1040737182 /nfs/dbraw/zinc/73/71/82/1040737182.db2.gz UNMWUOOYLBKYHU-UHFFFAOYSA-N 1 0 372.425 2.766 20 5 FFBDRO CC(C)C[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C(=O)N(C)C ZINC001254472680 1040740592 /nfs/dbraw/zinc/74/05/92/1040740592.db2.gz JSADGKHOQCJTFH-SFHVURJKSA-N 1 0 362.474 2.656 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccnc(N2CCCNC2=O)c1 ZINC001254542771 1040789753 /nfs/dbraw/zinc/78/97/53/1040789753.db2.gz ATAKYFYZDRBSDX-CQSZACIVSA-N 1 0 369.425 2.630 20 5 FFBDRO CCOC(=O)[C@@]12CCO[C@@H]1CC[N@@H+]([C@H](C)Cc1ccccc1[N+](=O)[O-])C2 ZINC001254551444 1040792295 /nfs/dbraw/zinc/79/22/95/1040792295.db2.gz BCJLPCKNZFSUFU-LSBZLQRGSA-N 1 0 362.426 2.570 20 5 FFBDRO CCOC(=O)c1cc2n(n1)CCC[N@@H+]([C@H](C)Cc1ccccc1[N+](=O)[O-])C2 ZINC001254553059 1040794108 /nfs/dbraw/zinc/79/41/08/1040794108.db2.gz RFYUSGXPLYRJEV-CQSZACIVSA-N 1 0 372.425 2.805 20 5 FFBDRO CCOC[C@@H]1C[N@@H+]([C@H](C)Cc2ccccc2[N+](=O)[O-])Cc2cnn(C)c21 ZINC001254560672 1040796243 /nfs/dbraw/zinc/79/62/43/1040796243.db2.gz HAQHAFPOKAPWLS-PBHICJAKSA-N 1 0 358.442 2.895 20 5 FFBDRO COc1ccnc(O[C@H]2CCC[N@@H+]([C@H](C)Cc3ccccc3[N+](=O)[O-])C2)n1 ZINC001254567332 1040805046 /nfs/dbraw/zinc/80/50/46/1040805046.db2.gz BPDGQZPBHQOSIN-ZBFHGGJFSA-N 1 0 372.425 2.868 20 5 FFBDRO O=C(N1CCCCC1)N1CCC([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254580740 1040812210 /nfs/dbraw/zinc/81/22/10/1040812210.db2.gz FFBNHLYTIQGVSV-SFHVURJKSA-N 1 0 372.469 2.722 20 5 FFBDRO O=C(CC[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)N1CCc2ccccc21 ZINC001254579556 1040813029 /nfs/dbraw/zinc/81/30/29/1040813029.db2.gz STLZIXIZMLQPBY-KRWDZBQOSA-N 1 0 351.406 2.631 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]C1(Cc3ccccn3)CCOCC1)C2 ZINC001254586331 1040818597 /nfs/dbraw/zinc/81/85/97/1040818597.db2.gz QMESWZVVODZBHE-SFHVURJKSA-N 1 0 353.422 2.839 20 5 FFBDRO CCOC[C@@H]1C[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)Cc2cnn(CC)c21 ZINC001254594260 1040821551 /nfs/dbraw/zinc/82/15/51/1040821551.db2.gz CQTRVZGFUAQVAC-HKUYNNGSSA-N 1 0 370.453 2.914 20 5 FFBDRO CN1c2ccccc2[C@]2(CC[N@@H+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)C1=O ZINC001254594667 1040823156 /nfs/dbraw/zinc/82/31/56/1040823156.db2.gz HADLFLYZPCGMGA-DYESRHJHSA-N 1 0 363.417 2.682 20 5 FFBDRO CN(CC1C[NH+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1)C(=O)OC(C)(C)C ZINC001254595020 1040824725 /nfs/dbraw/zinc/82/47/25/1040824725.db2.gz UUYCRMAINORFPT-QGZVFWFLSA-N 1 0 361.442 2.861 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H](N1CC[NH+](CCc3ccccc3)CC1)C2 ZINC001254600759 1040830110 /nfs/dbraw/zinc/83/01/10/1040830110.db2.gz RHPYQNNESWXRIU-NRFANRHFSA-N 1 0 351.450 2.922 20 5 FFBDRO O=C(C1CCCCC1)N1CCN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254609402 1040837400 /nfs/dbraw/zinc/83/74/00/1040837400.db2.gz WEAMZAGOWXISIM-LJQANCHMSA-N 1 0 357.454 2.787 20 5 FFBDRO Cc1cc(C)nc(N([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C2CC[NH2+]CC2)n1 ZINC001254612360 1040842415 /nfs/dbraw/zinc/84/24/15/1040842415.db2.gz VQNBHBUVWNBOCN-LJQANCHMSA-N 1 0 367.453 2.727 20 5 FFBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)c3occ4c3CCC4)c2)CC1 ZINC001262811926 1041872348 /nfs/dbraw/zinc/87/23/48/1041872348.db2.gz FYQCDUDCQRXCSA-UHFFFAOYSA-N 1 0 370.409 2.681 20 5 FFBDRO CCn1c([C@H](C)[N+](=O)[O-])nnc1N1CCC[N@H+](CC2CCCCC2)CC1 ZINC001263021036 1042039531 /nfs/dbraw/zinc/03/95/31/1042039531.db2.gz JIIGWJJKRLONOU-HNNXBMFYSA-N 1 0 364.494 2.728 20 5 FFBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC001263193511 1042162134 /nfs/dbraw/zinc/16/21/34/1042162134.db2.gz KJTLNCGQRSURDX-QWRGUYRKSA-N 1 0 363.361 2.668 20 5 FFBDRO CC(C)C[C@@H]1CN(C)CCN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC001538539485 1070449841 /nfs/dbraw/zinc/44/98/41/1070449841.db2.gz HPMCTZGEPGXKKT-QGZVFWFLSA-N 1 0 374.485 2.997 20 5 FFBDRO Cc1cccc(CCC[NH2+]C2(C)CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 ZINC001281490385 1044907048 /nfs/dbraw/zinc/90/70/48/1044907048.db2.gz XVUOBPRXOMEWOP-QZTJIDSGSA-N 1 0 359.470 2.564 20 5 FFBDRO C[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1csc2c1cccc2Cl ZINC001317448567 1045091673 /nfs/dbraw/zinc/09/16/73/1045091673.db2.gz WOPFCNMRSZIILF-TZMCWYRMSA-N 1 0 367.858 2.768 20 5 FFBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[NH+](C(C)(C)C)CC1 ZINC001319907547 1045299782 /nfs/dbraw/zinc/29/97/82/1045299782.db2.gz MTGSTMGPOBOOPI-GFCCVEGCSA-N 1 0 368.865 2.991 20 5 FFBDRO Cc1c(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)ccc2c[nH+]cn21 ZINC001320171007 1045361280 /nfs/dbraw/zinc/36/12/80/1045361280.db2.gz RZJDLJIVRQRHQA-GFCCVEGCSA-N 1 0 368.349 2.735 20 5 FFBDRO COc1ccc(C[C@H](C)[N@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC001320888730 1045489039 /nfs/dbraw/zinc/48/90/39/1045489039.db2.gz KONJCEUDEWETMK-DOTOQJQBSA-N 1 0 374.437 2.906 20 5 FFBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccn(-c2cc[nH+]cc2)n1 ZINC001321213493 1045588261 /nfs/dbraw/zinc/58/82/61/1045588261.db2.gz NWHYVAXHEXHBQQ-UHFFFAOYSA-N 1 0 371.784 2.801 20 5 FFBDRO Cn1cc(-c2ccc(CN(CC[NH3+])c3ccc([N+](=O)[O-])cc3)cc2)cn1 ZINC001324019089 1045825648 /nfs/dbraw/zinc/82/56/48/1045825648.db2.gz LYDCXDSXUUOSSF-UHFFFAOYSA-N 1 0 351.410 2.961 20 5 FFBDRO CC1CC[NH+](CCc2nnc(-c3cc4c(cc3[N+](=O)[O-])OCO4)o2)CC1 ZINC001324123058 1045877660 /nfs/dbraw/zinc/87/76/60/1045877660.db2.gz YYUFZBXKMOTFRX-UHFFFAOYSA-N 1 0 360.370 2.648 20 5 FFBDRO COC(=O)c1cc(-c2nnc(CC[NH+]3CCC(C)CC3)o2)cc([N+](=O)[O-])c1 ZINC001322294514 1046031831 /nfs/dbraw/zinc/03/18/31/1046031831.db2.gz LQBHACQIYFOGLV-UHFFFAOYSA-N 1 0 374.397 2.706 20 5 FFBDRO C[NH+]1CCN(c2ccccc2CNC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC001322479250 1046100989 /nfs/dbraw/zinc/10/09/89/1046100989.db2.gz KCPYNLJRRPHAPW-UHFFFAOYSA-N 1 0 369.425 2.668 20 5 FFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC001289680312 1047717506 /nfs/dbraw/zinc/71/75/06/1047717506.db2.gz ZXJCGXQOMXREOW-ZDUSSCGKSA-N 1 0 351.472 2.924 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCCC[C@@H]2[NH+](C)C)cc1SC ZINC001327545289 1047941510 /nfs/dbraw/zinc/94/15/10/1047941510.db2.gz XOJAGQVAHHFOEL-OLZOCXBDSA-N 1 0 367.471 2.928 20 5 FFBDRO [NH3+]C1(C(=O)NCc2ccc(Br)cc2[N+](=O)[O-])CCCCC1 ZINC001332067629 1048232596 /nfs/dbraw/zinc/23/25/96/1048232596.db2.gz CCBGXQKPMOUUGQ-UHFFFAOYSA-N 1 0 356.220 2.635 20 5 FFBDRO C[NH+](C)C1(CNC(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)CCCC1 ZINC001540839168 1071016710 /nfs/dbraw/zinc/01/67/10/1071016710.db2.gz DVMGZHDYAFVDNA-UHFFFAOYSA-N 1 0 356.426 2.934 20 5 FFBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3Br)CC[C@@H]21 ZINC001329881159 1048947327 /nfs/dbraw/zinc/94/73/27/1048947327.db2.gz USXCPUABKYBFMA-YGRLFVJLSA-N 1 0 368.231 2.524 20 5 FFBDRO CC1(C)[C@H](NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)[C@@H]2CCC[NH2+][C@H]21 ZINC001333669718 1049042241 /nfs/dbraw/zinc/04/22/41/1049042241.db2.gz GIQVBXIUZVCNIL-BRWVUGGUSA-N 1 0 357.454 2.909 20 5 FFBDRO C[NH+](C)[C@@H](CNC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC001330157327 1049061974 /nfs/dbraw/zinc/06/19/74/1049061974.db2.gz NOGKRCWTIGATCF-SFHVURJKSA-N 1 0 354.410 2.923 20 5 FFBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC001333771439 1049111304 /nfs/dbraw/zinc/11/13/04/1049111304.db2.gz NZYQWRCVHAXKJI-QGZVFWFLSA-N 1 0 369.824 2.922 20 5 FFBDRO Cn1c2ccccc2c(NC2CCC(C[NH+](C)C)CC2)c([N+](=O)[O-])c1=O ZINC001334183957 1049297927 /nfs/dbraw/zinc/29/79/27/1049297927.db2.gz QSNJDBPXVOHCHA-UHFFFAOYSA-N 1 0 358.442 2.979 20 5 FFBDRO C[NH+](C)Cc1ccnc(NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001330749742 1049309740 /nfs/dbraw/zinc/30/97/40/1049309740.db2.gz MBOSROYDSRBCQA-UHFFFAOYSA-N 1 0 355.398 2.642 20 5 FFBDRO C[C@@H]1COCC[N@@H+]1C1CCN(c2c3cc(F)ccc3ncc2[N+](=O)[O-])CC1 ZINC001334272300 1049343263 /nfs/dbraw/zinc/34/32/63/1049343263.db2.gz WFGHKEDCPJHASN-CYBMUJFWSA-N 1 0 374.416 2.972 20 5 FFBDRO C[NH2+][C@@H](CC(C)C)C(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC001330981562 1049423528 /nfs/dbraw/zinc/42/35/28/1049423528.db2.gz IIGWZOJMKZKJJO-LBPRGKRZSA-N 1 0 358.236 2.608 20 5 FFBDRO CSc1ccc(C(=O)N2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC001341713139 1050334208 /nfs/dbraw/zinc/33/42/08/1050334208.db2.gz XUGUDSYEKCGWJA-ZJUUUORDSA-N 1 0 363.361 2.668 20 5 FFBDRO Cc1c(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cccc1[N+](=O)[O-] ZINC001298367460 1050424725 /nfs/dbraw/zinc/42/47/25/1050424725.db2.gz WSHIIPNJGYRHFP-DZFIZOCASA-N 1 0 351.406 2.763 20 5 FFBDRO O=C([C@@H]1CC[NH2+][C@@H]([C@@H]2CCCO2)C1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001340321378 1050720614 /nfs/dbraw/zinc/72/06/14/1050720614.db2.gz XGNJSBIFESTHSK-BJZITVGISA-N 1 0 373.453 2.633 20 5 FFBDRO O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCCC[C@]12CCC[NH2+]C2 ZINC001342141452 1050734391 /nfs/dbraw/zinc/73/43/91/1050734391.db2.gz RKVCFPNGKWODBH-LJQANCHMSA-N 1 0 369.425 2.529 20 5 FFBDRO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])N1CC[NH2+]CCC12CCC2 ZINC001342451653 1051049312 /nfs/dbraw/zinc/04/93/12/1051049312.db2.gz DNUVXKJHWHUJMT-UHFFFAOYSA-N 1 0 351.834 2.925 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)n1 ZINC001542472722 1071239427 /nfs/dbraw/zinc/23/94/27/1071239427.db2.gz BACAUCNGQFKVGR-MRXNPFEDSA-N 1 0 360.458 2.882 20 5 FFBDRO COc1ccc(CC(=O)N2C[C@@H](CC[NH3+])Cc3ccccc32)cc1[N+](=O)[O-] ZINC001341254314 1051612748 /nfs/dbraw/zinc/61/27/48/1051612748.db2.gz CGOVISTXUWHSIM-HNNXBMFYSA-N 1 0 369.421 2.700 20 5 FFBDRO CCC1([NH+]2CCCC2)CCN(c2nnc(C[N+](=O)[O-])n2CC(C)C)CC1 ZINC001345073373 1052239688 /nfs/dbraw/zinc/23/96/88/1052239688.db2.gz YNDFDZHSPAZYSG-UHFFFAOYSA-N 1 0 364.494 2.556 20 5 FFBDRO Cc1c(Br)c(N[C@@H]2CC[C@H]3C[N@@H+](C)C[C@@H]32)ncc1[N+](=O)[O-] ZINC001307233917 1052273928 /nfs/dbraw/zinc/27/39/28/1052273928.db2.gz JYEJXKOQCVHRQU-GARJFASQSA-N 1 0 355.236 2.813 20 5 FFBDRO CC[N@H+](Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)CC(C)(C)O ZINC001307478223 1052311095 /nfs/dbraw/zinc/31/10/95/1052311095.db2.gz QIRFKEDKZKPNBY-UHFFFAOYSA-N 1 0 354.794 2.891 20 5 FFBDRO O=C(NCC[C@@H]1CCC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1Br ZINC001343677576 1052370035 /nfs/dbraw/zinc/37/00/35/1052370035.db2.gz WYVZYSAZXBXODL-LLVKDONJSA-N 1 0 370.247 2.867 20 5 FFBDRO CC[C@H]([NH2+]CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC001308028236 1052387329 /nfs/dbraw/zinc/38/73/29/1052387329.db2.gz AHODUYVSTCFEBG-ZFWWWQNUSA-N 1 0 365.430 2.727 20 5 FFBDRO O=C(CC[NH2+][C@H](CCO)C1CCCC1)Nc1cc([N+](=O)[O-])ccc1F ZINC001308108176 1052408632 /nfs/dbraw/zinc/40/86/32/1052408632.db2.gz BXPZBIYZNCZTLT-OAHLLOKOSA-N 1 0 353.394 2.593 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+]C[C@@H](C)Oc2ccccc2)cc1[N+](=O)[O-] ZINC001308272545 1052440173 /nfs/dbraw/zinc/44/01/73/1052440173.db2.gz DNGRLLRNXYNGQP-CQSZACIVSA-N 1 0 374.393 2.704 20 5 FFBDRO Cc1cc(NC(=O)NCC2([NH+]3CCCC3)CCOCC2)cc([N+](=O)[O-])c1 ZINC001345954258 1052683885 /nfs/dbraw/zinc/68/38/85/1052683885.db2.gz SJVMQVQLQLMQBU-UHFFFAOYSA-N 1 0 362.430 2.670 20 5 FFBDRO CC[NH+](CC)C1CCN(c2nnc([C@@H](C)[N+](=O)[O-])n2CC(C)C)CC1 ZINC001344477812 1052791491 /nfs/dbraw/zinc/79/14/91/1052791491.db2.gz GMCKQVPABYFRQU-CQSZACIVSA-N 1 0 352.483 2.582 20 5 FFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001334831232 1053103494 /nfs/dbraw/zinc/10/34/94/1053103494.db2.gz FXYWOUZTCYATKT-RRFJBIMHSA-N 1 0 361.442 2.796 20 5 FFBDRO Cn1c(CCC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)nc2ccccc21 ZINC001335397949 1053337574 /nfs/dbraw/zinc/33/75/74/1053337574.db2.gz MAALBFMENGONRJ-SFHVURJKSA-N 1 0 354.410 2.737 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1 ZINC001336092377 1053762603 /nfs/dbraw/zinc/76/26/03/1053762603.db2.gz BDGBBLYYJYKVIG-MELADBBJSA-N 1 0 362.430 2.797 20 5 FFBDRO CC[NH+]1CCC(CCNC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC001347484111 1054031346 /nfs/dbraw/zinc/03/13/46/1054031346.db2.gz NRKKKCKQKITEJG-UHFFFAOYSA-N 1 0 350.419 2.847 20 5 FFBDRO C[C@H](NC(=O)NCc1cccc2c1CC[NH2+]C2)c1ccc([N+](=O)[O-])cc1 ZINC001336710887 1054157373 /nfs/dbraw/zinc/15/73/73/1054157373.db2.gz RYXVSRBWFXRCEF-ZDUSSCGKSA-N 1 0 354.410 2.801 20 5 FFBDRO C[C@H](NC(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC001336726837 1054171501 /nfs/dbraw/zinc/17/15/01/1054171501.db2.gz DCDISKDMOVJQGR-JKOKRWQUSA-N 1 0 374.363 2.825 20 5 FFBDRO Cc1cc(NC2CC(n3cc([N+](=O)[O-])cn3)C2)ccc1N1CC[NH+](C)CC1 ZINC001349599582 1055361365 /nfs/dbraw/zinc/36/13/65/1055361365.db2.gz KPIMGBUAPPILRD-UHFFFAOYSA-N 1 0 370.457 2.667 20 5 FFBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)NC1CCN(c2cc[nH+]cc2)CC1 ZINC001349704187 1055423225 /nfs/dbraw/zinc/42/32/25/1055423225.db2.gz MYWBVONQXWBVTH-UHFFFAOYSA-N 1 0 372.450 2.867 20 5 FFBDRO CCn1c(Cc2cccc([N+](=O)[O-])c2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001356378994 1055478641 /nfs/dbraw/zinc/47/86/41/1055478641.db2.gz PHNTYEFVDNFSSG-UHFFFAOYSA-N 1 0 372.473 2.718 20 5 FFBDRO Cn1ccnc1C[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC001356532126 1055559038 /nfs/dbraw/zinc/55/90/38/1055559038.db2.gz IJTREQVZQIACIX-OALUTQOASA-N 1 0 366.421 2.935 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@](O)(c2ccccc2)C(F)(F)F)cc1 ZINC001356586688 1055598078 /nfs/dbraw/zinc/59/80/78/1055598078.db2.gz VWPZGMIANISAOH-CVEARBPZSA-N 1 0 370.327 2.668 20 5 FFBDRO Cn1c(-c2csc([N+](=O)[O-])c2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001338704041 1055745579 /nfs/dbraw/zinc/74/55/79/1055745579.db2.gz ZSSDNCAJQHXXBD-CYBMUJFWSA-N 1 0 362.459 2.516 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC001350551389 1055828942 /nfs/dbraw/zinc/82/89/42/1055828942.db2.gz XGZXEPIEYORNHI-YJBOKZPZSA-N 1 0 361.442 2.524 20 5 FFBDRO C[C@@H](COc1c(F)cccc1F)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001357240899 1055838202 /nfs/dbraw/zinc/83/82/02/1055838202.db2.gz DPQPLBNZHIHUOG-MEDUHNTESA-N 1 0 352.337 2.964 20 5 FFBDRO [NH3+]CC1(c2ccccc2)CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC001358393802 1056291299 /nfs/dbraw/zinc/29/12/99/1056291299.db2.gz LBZRDIDFWYFIQU-UHFFFAOYSA-N 1 0 357.385 2.867 20 5 FFBDRO CCC1([NH+]2CCC2)CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC001353349433 1056323041 /nfs/dbraw/zinc/32/30/41/1056323041.db2.gz YQRRYFFOCKPKTO-UHFFFAOYSA-N 1 0 367.471 2.542 20 5 FFBDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)OCCC[N+](=O)[O-])C1 ZINC000860921099 1056353994 /nfs/dbraw/zinc/35/39/94/1056353994.db2.gz NWRCVVXJPOKGMG-UHFFFAOYSA-N 1 0 359.426 2.618 20 5 FFBDRO O=[N+]([O-])c1ccc2ncnc(NCC3([NH+]4CCOCC4)CCCCC3)c2c1 ZINC000609849230 1056425276 /nfs/dbraw/zinc/42/52/76/1056425276.db2.gz CPVGQKGVVKMKLC-UHFFFAOYSA-N 1 0 371.441 2.985 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)c2nnc(-c3csc([N+](=O)[O-])c3)n2C)[C@H](C)C1 ZINC001339521497 1056544689 /nfs/dbraw/zinc/54/46/89/1056544689.db2.gz LTBFBADJWVICDT-YPMHNXCESA-N 1 0 364.475 2.618 20 5 FFBDRO Cn1c(-c2csc([N+](=O)[O-])c2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001339521052 1056545171 /nfs/dbraw/zinc/54/51/71/1056545171.db2.gz DLNBEOGRGFSKHU-ZDUSSCGKSA-N 1 0 362.459 2.516 20 5 FFBDRO COCC[NH+]1CCC(OC(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)CC1 ZINC000847886908 1058338438 /nfs/dbraw/zinc/33/84/38/1058338438.db2.gz SSIWBUVCPXBYRS-UHFFFAOYSA-N 1 0 366.414 2.650 20 5 FFBDRO O=C(NCC[C@@H]1CSCC[NH2+]1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC001353949480 1058416158 /nfs/dbraw/zinc/41/61/58/1058416158.db2.gz SWFHEUJENXNHJE-LLVKDONJSA-N 1 0 351.453 2.634 20 5 FFBDRO C[C@@H](COC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)[NH+]1CCCCC1 ZINC000847961388 1058523729 /nfs/dbraw/zinc/52/37/29/1058523729.db2.gz WTNWFNKSLKQKAH-AWEZNQCLSA-N 1 0 358.398 2.812 20 5 FFBDRO Cn1cncc1CCCOC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC001519077384 1058617333 /nfs/dbraw/zinc/61/73/33/1058617333.db2.gz UNBJETNLARJUNN-UHFFFAOYSA-N 1 0 355.297 2.719 20 5 FFBDRO O=[N+]([O-])c1cc2ccccc2nc1N1CC[NH2+][C@@H](c2ccc(O)cc2)C1 ZINC001472867701 1059603968 /nfs/dbraw/zinc/60/39/68/1059603968.db2.gz KPOQCHINMAIPOH-QGZVFWFLSA-N 1 0 350.378 3.000 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@@H](CC[NH+](C)C)C1 ZINC001455630342 1059840073 /nfs/dbraw/zinc/84/00/73/1059840073.db2.gz KKJYXAWQFYLQMY-QWHCGFSZSA-N 1 0 369.849 2.816 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@@H](CC[NH+](C)C)C1 ZINC001455630339 1059840129 /nfs/dbraw/zinc/84/01/29/1059840129.db2.gz KKJYXAWQFYLQMY-CHWSQXEVSA-N 1 0 369.849 2.816 20 5 FFBDRO Cc1cc(C(=O)Nc2cc(N3CC[NH+](C)CC3)ccc2[N+](=O)[O-])cc(C)n1 ZINC001355081462 1059868349 /nfs/dbraw/zinc/86/83/49/1059868349.db2.gz OMJLSLWYJDONCW-UHFFFAOYSA-N 1 0 369.425 2.611 20 5 FFBDRO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])[C@H]2C1 ZINC001355171864 1059954202 /nfs/dbraw/zinc/95/42/02/1059954202.db2.gz PQAVPINKEJSZLQ-TVYUQYBPSA-N 1 0 357.332 2.684 20 5 FFBDRO O=[N+]([O-])c1ccccc1-c1cnn(CN2CCC[C@@H]2C[NH+]2CCCC2)c1 ZINC000848478497 1060109212 /nfs/dbraw/zinc/10/92/12/1060109212.db2.gz INYMZVAJIRKSOE-QGZVFWFLSA-N 1 0 355.442 2.976 20 5 FFBDRO O=C1[C@@H](c2ccc([N+](=O)[O-])cc2)CCN1C[N@@H+]1CCC[C@@H]1C1CCOCC1 ZINC000848484344 1060123469 /nfs/dbraw/zinc/12/34/69/1060123469.db2.gz ZAQKVUIIKRBZNG-RTBURBONSA-N 1 0 373.453 2.759 20 5 FFBDRO COCC1(C)CC[NH+](CN2CC[C@H](c3ccc([N+](=O)[O-])cc3)C2=O)CC1 ZINC000848484011 1060124538 /nfs/dbraw/zinc/12/45/38/1060124538.db2.gz VLRUIWCLYAQLBS-QGZVFWFLSA-N 1 0 361.442 2.617 20 5 FFBDRO O=C1[C@H](c2ccc([N+](=O)[O-])cc2)CCN1CN1CC[C@@H](c2ccccn2)C1 ZINC000848487803 1060138731 /nfs/dbraw/zinc/13/87/31/1060138731.db2.gz XLFLJOFZAUPGIC-AEFFLSMTSA-N 1 0 366.421 2.753 20 5 FFBDRO COC(=O)[C@@]1(C)CCC[N@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C1 ZINC000848488838 1060143799 /nfs/dbraw/zinc/14/37/99/1060143799.db2.gz NANDQKXQZMQDQS-SFHVURJKSA-N 1 0 358.398 2.691 20 5 FFBDRO CC(C)(C)[NH+]1CCC(NC(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)CC1 ZINC000848581200 1060311060 /nfs/dbraw/zinc/31/10/60/1060311060.db2.gz MEXFMVGGLPHNIE-UHFFFAOYSA-N 1 0 371.384 2.946 20 5 FFBDRO Cc1nnc(N(C)Cc2ccccc2[N+](=O)[O-])n1CCC[N@@H+](C)C(C)C ZINC001511778679 1060404148 /nfs/dbraw/zinc/40/41/48/1060404148.db2.gz JJUWSZDTJLOQIE-UHFFFAOYSA-N 1 0 360.462 2.861 20 5 FFBDRO CC[N@H+](CCn1c(C)nnc1N(C)Cc1ccccc1[N+](=O)[O-])C(C)C ZINC001547579162 1071974015 /nfs/dbraw/zinc/97/40/15/1071974015.db2.gz IRQSOJADZOZMPB-UHFFFAOYSA-N 1 0 360.462 2.861 20 5 FFBDRO Cc1csc(C[C@H]2CCC[N@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)n1 ZINC001460796704 1061106073 /nfs/dbraw/zinc/10/60/73/1061106073.db2.gz UEEPBGYZGMHUBK-CYBMUJFWSA-N 1 0 374.466 2.913 20 5 FFBDRO CCOc1cc(NC(=O)N[C@H]2CCCC[C@H]2[NH+](C)C)ccc1[N+](=O)[O-] ZINC001476815301 1061485874 /nfs/dbraw/zinc/48/58/74/1061485874.db2.gz GHNGLNNTGKOLPL-UONOGXRCSA-N 1 0 350.419 2.988 20 5 FFBDRO CC[NH+]1CCN(c2cc(N(C)C(=O)C3(CC)CC3)cc([N+](=O)[O-])c2)CC1 ZINC001462087045 1061499153 /nfs/dbraw/zinc/49/91/53/1061499153.db2.gz AIPZWRUQZVVKQE-UHFFFAOYSA-N 1 0 360.458 2.890 20 5 FFBDRO COC(=O)[C@@H](C[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)CC(C)C ZINC001462298878 1061575222 /nfs/dbraw/zinc/57/52/22/1061575222.db2.gz TYJANVXZSHMOOV-ZIAGYGMSSA-N 1 0 365.430 2.737 20 5 FFBDRO C[C@@H]1CCC[C@@H]1NC(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001477129993 1061593225 /nfs/dbraw/zinc/59/32/25/1061593225.db2.gz AGOBHMCLMPOZDL-HIFRSBDPSA-N 1 0 361.446 2.657 20 5 FFBDRO O=C(NCc1cccc2c1CC[NH2+]C2)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001522264872 1061832457 /nfs/dbraw/zinc/83/24/57/1061832457.db2.gz LWGVCVCJLQZJSE-RTBURBONSA-N 1 0 351.406 2.660 20 5 FFBDRO Cc1ccc(S(=O)(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)c(C)c1[N+](=O)[O-] ZINC001462938098 1061854475 /nfs/dbraw/zinc/85/44/75/1061854475.db2.gz RTQLLVVJSZBFSO-CQSZACIVSA-N 1 0 369.487 2.610 20 5 FFBDRO C[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)C1CC1)[N@H+](C)C1CC1 ZINC001360536355 1061980187 /nfs/dbraw/zinc/98/01/87/1061980187.db2.gz MBLLYSGTTBZRHQ-ZDUSSCGKSA-N 1 0 370.457 2.935 20 5 FFBDRO Cc1nnc(N(C)Cc2ccccc2[N+](=O)[O-])n1CC[N@H+]1CCC[C@H]1C ZINC001492781762 1062206276 /nfs/dbraw/zinc/20/62/76/1062206276.db2.gz KGLHCNLZMAFDOC-CQSZACIVSA-N 1 0 358.446 2.615 20 5 FFBDRO C[NH2+][C@H](CNC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC001522828303 1062304059 /nfs/dbraw/zinc/30/40/59/1062304059.db2.gz VDJHWUDWEUKEBK-QXAKKESOSA-N 1 0 353.422 2.645 20 5 FFBDRO Cc1cc(C)c(S(=O)(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC001464083096 1062415550 /nfs/dbraw/zinc/41/55/50/1062415550.db2.gz PHOYXTZKPWSOTR-HNNXBMFYSA-N 1 0 369.487 2.610 20 5 FFBDRO [NH3+]C[C@]12CC[C@@H]1CCCN2C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC001523407800 1062456100 /nfs/dbraw/zinc/45/61/00/1062456100.db2.gz NFKJSXMBNUPIRE-HNAYVOBHSA-N 1 0 358.442 2.539 20 5 FFBDRO [NH3+]C[C@]12CC[C@@H]1CCN2C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC001523557863 1062517772 /nfs/dbraw/zinc/51/77/72/1062517772.db2.gz JOXGPDBCPWWUPQ-MEBBXXQBSA-N 1 0 355.847 2.680 20 5 FFBDRO C[C@]1(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C[NH+]2CCC1CC2 ZINC001531655689 1062841870 /nfs/dbraw/zinc/84/18/70/1062841870.db2.gz GDNLMQAAAOTCKE-INIZCTEOSA-N 1 0 369.874 2.941 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)OCC1CC[NH+](Cc2ccccc2)CC1 ZINC001524486503 1062866929 /nfs/dbraw/zinc/86/69/29/1062866929.db2.gz LIBIGGNSROPUCV-UHFFFAOYSA-N 1 0 372.425 2.555 20 5 FFBDRO CC(C)Cn1c([C@H](C)[N+](=O)[O-])nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001524992777 1063087848 /nfs/dbraw/zinc/08/78/48/1063087848.db2.gz FFFOSXRYFKTYDJ-HNNXBMFYSA-N 1 0 364.494 2.727 20 5 FFBDRO CCOc1cc(NC(=O)NC(C)(C)C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC001467000878 1063614642 /nfs/dbraw/zinc/61/46/42/1063614642.db2.gz VYUAWXYRVTWWJY-UHFFFAOYSA-N 1 0 350.419 2.989 20 5 FFBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)NC[C@H]3CC=CCC3)c2)CC1 ZINC001467370943 1063726167 /nfs/dbraw/zinc/72/61/67/1063726167.db2.gz WVBGQXDNNQGBEG-HNNXBMFYSA-N 1 0 373.457 2.824 20 5 FFBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)NCc1ccc2c[nH+]cn2c1 ZINC001468834437 1064046024 /nfs/dbraw/zinc/04/60/24/1064046024.db2.gz AVLKYFYSQCGOKA-UHFFFAOYSA-N 1 0 353.382 2.751 20 5 FFBDRO CC(C)Cc1nnc(N2CCc3ccc([N+](=O)[O-])cc3C2)n1C[C@H](C)C[NH3+] ZINC001575666646 1078162130 /nfs/dbraw/zinc/16/21/30/1078162130.db2.gz MTLSALXMIOQPKT-CQSZACIVSA-N 1 0 372.473 2.542 20 5 FFBDRO CC(C)Cc1nnc(N2CCc3ccc([N+](=O)[O-])cc3C2)n1C[C@@H](C)C[NH3+] ZINC001575666645 1078162261 /nfs/dbraw/zinc/16/22/61/1078162261.db2.gz MTLSALXMIOQPKT-AWEZNQCLSA-N 1 0 372.473 2.542 20 5 FFBDRO Cn1c2ccccc2c(NCC[N@@H+]2CCCC(C)(C)C2)c([N+](=O)[O-])c1=O ZINC001472770289 1065142708 /nfs/dbraw/zinc/14/27/08/1065142708.db2.gz HETCQQYEBDCFJQ-UHFFFAOYSA-N 1 0 358.442 2.981 20 5 FFBDRO CC(C)[NH+]1CCC(CCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC001472844276 1065155322 /nfs/dbraw/zinc/15/53/22/1065155322.db2.gz KUXJWNNTKFYKJB-UHFFFAOYSA-N 1 0 369.487 2.921 20 5 FFBDRO CCCN(CC[NH+]1CCCCC1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC001473461962 1065269208 /nfs/dbraw/zinc/26/92/08/1065269208.db2.gz CQRAWHODJBBLFW-IBGZPJMESA-N 1 0 374.485 2.898 20 5 FFBDRO CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H]([NH2+]CC[N+](=O)[O-])C1 ZINC001473631689 1065302422 /nfs/dbraw/zinc/30/24/22/1065302422.db2.gz ZXVZFRLSBILBDI-HZPDHXFCSA-N 1 0 367.421 2.785 20 5 FFBDRO C[C@](CO)([NH2+]Cc1c[nH]c(=O)c2ccccc12)c1cccc([N+](=O)[O-])c1 ZINC001473714644 1065330462 /nfs/dbraw/zinc/33/04/62/1065330462.db2.gz WDSGDGMUZIDMBZ-LJQANCHMSA-N 1 0 353.378 2.846 20 5 FFBDRO C[C@@]([NH3+])(C(=O)NCCC1Cc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC001576081103 1078194000 /nfs/dbraw/zinc/19/40/00/1078194000.db2.gz IGXIDFSXWWBSLT-FQEVSTJZSA-N 1 0 353.422 2.690 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001474833837 1065620946 /nfs/dbraw/zinc/62/09/46/1065620946.db2.gz BNEJYJWYZVYDDX-DOMZBBRYSA-N 1 0 369.487 2.610 20 5 FFBDRO CC[NH2+]CCn1c(C2CC2)nnc1N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001577865835 1078409379 /nfs/dbraw/zinc/40/93/79/1078409379.db2.gz YIXQLGJYTWLHFC-UHFFFAOYSA-N 1 0 370.457 2.842 20 5 FFBDRO CN(C[C@@H]1CC[NH2+]1)C(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC001578455039 1078475634 /nfs/dbraw/zinc/47/56/34/1078475634.db2.gz AORLPHDDDZWTDP-HNNXBMFYSA-N 1 0 355.394 2.608 20 5 FFBDRO C[NH2+]CCCn1c(C(C)C)nnc1N(C)CCc1cccc([N+](=O)[O-])c1 ZINC001578691139 1078517802 /nfs/dbraw/zinc/51/78/02/1078517802.db2.gz JWFGQKZAYUCFDZ-UHFFFAOYSA-N 1 0 360.462 2.598 20 5 FFBDRO COc1cc(CN2CCC[C@@H](C[NH3+])[C@H]2C(F)(F)F)c([N+](=O)[O-])cc1F ZINC001579149357 1078576277 /nfs/dbraw/zinc/57/62/77/1078576277.db2.gz VDSPNJNKXALJEN-XPTSAGLGSA-N 1 0 365.327 2.844 20 5 FFBDRO CSc1cccc(C(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)c1[N+](=O)[O-] ZINC001579392657 1078625114 /nfs/dbraw/zinc/62/51/14/1078625114.db2.gz DBYRNPZTQMXCRB-LLVKDONJSA-N 1 0 358.423 2.780 20 5 FFBDRO Cc1nnc(N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)n1CC[C@@H]1CC[NH2+]C1 ZINC001579902532 1078710651 /nfs/dbraw/zinc/71/06/51/1078710651.db2.gz IVNMAALXYNRYCB-HNNXBMFYSA-N 1 0 370.457 2.663 20 5 FFBDRO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)C2 ZINC001580334805 1078787996 /nfs/dbraw/zinc/78/79/96/1078787996.db2.gz RXRCOKKZCUYSSM-BONVTDFDSA-N 1 0 357.332 2.815 20 5 FFBDRO Nc1c(C(=O)N2CCC[C@H]3C[NH2+]CC[C@H]32)cc2ccccc2c1[N+](=O)[O-] ZINC001580431554 1078801975 /nfs/dbraw/zinc/80/19/75/1078801975.db2.gz LIWAFBLGBNYBNQ-XJKSGUPXSA-N 1 0 354.410 2.544 20 5 FFBDRO O=C(CCC(=O)N1CCCC2(CC[NH2+]CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC001580523445 1078818241 /nfs/dbraw/zinc/81/82/41/1078818241.db2.gz LYYAVBDPWMLSMT-UHFFFAOYSA-N 1 0 359.426 2.550 20 5 FFBDRO O=C(N[C@H]1CC[NH2+]C2(CCC2)C1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001580613593 1078837362 /nfs/dbraw/zinc/83/73/62/1078837362.db2.gz DZCLMITVIXFDOP-HNNXBMFYSA-N 1 0 358.442 2.944 20 5 FFBDRO O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC001580672005 1078845413 /nfs/dbraw/zinc/84/54/13/1078845413.db2.gz YXWXKRUVRIXYFJ-AWEZNQCLSA-N 1 0 350.378 2.520 20 5 FFBDRO O=C(Nc1ccc(F)c([N+](=O)[O-])c1)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001580767167 1078856555 /nfs/dbraw/zinc/85/65/55/1078856555.db2.gz URQNKKVQRYIGJO-QWHCGFSZSA-N 1 0 350.394 2.977 20 5 FFBDRO C[N@@H+]1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C[C@@H]1C(C)(C)C ZINC001557279795 1075832927 /nfs/dbraw/zinc/83/29/27/1075832927.db2.gz FKQQGOPOUCIQFB-QGZVFWFLSA-N 1 0 362.474 2.976 20 5 FFBDRO CC(C)[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC001558767085 1076072749 /nfs/dbraw/zinc/07/27/49/1076072749.db2.gz GGWRXIXBDCTLBT-NVXWUHKLSA-N 1 0 361.442 2.695 20 5 FFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC001559255624 1076140136 /nfs/dbraw/zinc/14/01/36/1076140136.db2.gz YBYQXLDZMSUXFL-GDBMZVCRSA-N 1 0 368.437 2.874 20 5 FFBDRO C[C@@H]1CCC(C)(C)[N@@H+]1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001559904137 1076200437 /nfs/dbraw/zinc/20/04/37/1076200437.db2.gz ZGQJCWTZSKUMEM-OAHLLOKOSA-N 1 0 360.458 2.506 20 5 FFBDRO CC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCN(CC(F)(F)F)C1 ZINC001560034661 1076214685 /nfs/dbraw/zinc/21/46/85/1076214685.db2.gz ZSMCBAVHWLAVFU-AWEZNQCLSA-N 1 0 361.364 2.932 20 5 FFBDRO Cc1ccc(C[N@@H+](C)C[C@@H](O)CN(C)C(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC001560071541 1076221494 /nfs/dbraw/zinc/22/14/94/1076221494.db2.gz JHILORPENZPPOI-OAHLLOKOSA-N 1 0 367.446 2.563 20 5 FFBDRO CC[C@@H](CN1CCOCC1)[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001561014108 1076319293 /nfs/dbraw/zinc/31/92/93/1076319293.db2.gz KWCQRIYSQIPWNL-AWEZNQCLSA-N 1 0 361.364 2.814 20 5 FFBDRO C[C@@H]1C[C@H]1[C@@H]1C[C@H]1NC(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001563309849 1076540765 /nfs/dbraw/zinc/54/07/65/1076540765.db2.gz CHFJPLYQCBSMAF-DMRZNYOFSA-N 1 0 373.457 2.513 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)n1 ZINC001566630065 1076972289 /nfs/dbraw/zinc/97/22/89/1076972289.db2.gz XDHBLLGWXGFTEH-CQSZACIVSA-N 1 0 369.425 2.649 20 5 FFBDRO C[NH+](C)CCc1cccc(C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC001567618845 1077040197 /nfs/dbraw/zinc/04/01/97/1077040197.db2.gz PENADSDMOGUKFQ-UHFFFAOYSA-N 1 0 369.421 2.602 20 5 FFBDRO CC(C)[NH+]1CCC(CCNc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC001589708276 1080682174 /nfs/dbraw/zinc/68/21/74/1080682174.db2.gz IWKWSOGCXNHFMS-UHFFFAOYSA-N 1 0 359.434 2.697 20 5 FFBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC001590187835 1081078189 /nfs/dbraw/zinc/07/81/89/1081078189.db2.gz NXFKVPCKFCDPGJ-CHWSQXEVSA-N 1 0 359.434 2.555 20 5 FFBDRO C[C@@H]1CCC[N@H+](CCCCNc2ccc([N+](=O)[O-])c(-c3nn[nH]n3)c2)C1 ZINC001590259429 1081128613 /nfs/dbraw/zinc/12/86/13/1081128613.db2.gz KOFWTMFQPFCMJV-CYBMUJFWSA-N 1 0 359.434 2.699 20 5 FFBDRO O=[N+]([O-])c1cnc(NCCCOC2CC[NH+](Cc3ccccc3)CC2)nc1 ZINC000273653805 255773950 /nfs/dbraw/zinc/77/39/50/255773950.db2.gz UVKDBZKXRLXKFV-UHFFFAOYSA-N 1 0 371.441 2.868 20 5 FFBDRO O=C(COc1ccccc1[N+](=O)[O-])NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000015139937 249321023 /nfs/dbraw/zinc/32/10/23/249321023.db2.gz TVUOTYJMWYZIAA-UHFFFAOYSA-N 1 0 369.421 2.886 20 5 FFBDRO CN(c1c2cc(Br)ccc2ncc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000071311633 249757451 /nfs/dbraw/zinc/75/74/51/249757451.db2.gz UXCGVSMIROWRAA-SNVBAGLBSA-N 1 0 351.204 2.704 20 5 FFBDRO CC[NH+](CC)C[C@@H]1CCN(Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000093693280 250040906 /nfs/dbraw/zinc/04/09/06/250040906.db2.gz CKCNZQVHVVNJOD-AWEZNQCLSA-N 1 0 351.447 2.776 20 5 FFBDRO CC(C)C(=O)NC[C@H]1CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000101908646 250092417 /nfs/dbraw/zinc/09/24/17/250092417.db2.gz KUIWGHRYBSFUQA-MRXNPFEDSA-N 1 0 363.458 2.848 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2cnc(CCN3CCN(CC(F)F)CC3)o2)c1 ZINC000104679859 250181601 /nfs/dbraw/zinc/18/16/01/250181601.db2.gz IBQTXWWCQUOGBK-UHFFFAOYSA-N 1 0 366.368 2.675 20 5 FFBDRO COC(=O)C1CC[NH+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000104661727 250182073 /nfs/dbraw/zinc/18/20/73/250182073.db2.gz CJOHPSJLLVPDGV-UHFFFAOYSA-N 1 0 359.382 2.677 20 5 FFBDRO C[C@H]1SCC[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)[C@@H]1C ZINC000118419494 250384754 /nfs/dbraw/zinc/38/47/54/250384754.db2.gz BQEWRORZHSFFTD-VXGBXAGGSA-N 1 0 351.428 2.719 20 5 FFBDRO Cn1ccnc1[C@@H](O)[C@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000132008947 251037398 /nfs/dbraw/zinc/03/73/98/251037398.db2.gz MYQHJKAQTKZQEM-LRDDRELGSA-N 1 0 364.833 2.927 20 5 FFBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000153334796 251125873 /nfs/dbraw/zinc/12/58/73/251125873.db2.gz MUWAPVRAXUHACS-WBVHZDCISA-N 1 0 373.453 2.839 20 5 FFBDRO C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000153459229 251140223 /nfs/dbraw/zinc/14/02/23/251140223.db2.gz GJDGSHPRPOBUPY-UHFFFAOYSA-N 1 0 361.373 2.644 20 5 FFBDRO CCCNC(=O)CN1CCC([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000153481416 251143160 /nfs/dbraw/zinc/14/31/60/251143160.db2.gz FFKJPGQXJVLNND-OAHLLOKOSA-N 1 0 362.474 2.544 20 5 FFBDRO Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000181086015 251240919 /nfs/dbraw/zinc/24/09/19/251240919.db2.gz UPOVRTQZTBAWEP-HNNXBMFYSA-N 1 0 354.410 2.571 20 5 FFBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+](C)CCCn1ccnc1 ZINC000181108609 251242307 /nfs/dbraw/zinc/24/23/07/251242307.db2.gz CVYSTDMVSJDVBM-LBPRGKRZSA-N 1 0 365.821 2.794 20 5 FFBDRO C[C@H]1CN(C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000269230185 251398550 /nfs/dbraw/zinc/39/85/50/251398550.db2.gz VJWBXDBFGZOMPI-JQWIXIFHSA-N 1 0 374.363 2.611 20 5 FFBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1 ZINC000272310181 252006266 /nfs/dbraw/zinc/00/62/66/252006266.db2.gz IEGRNBKNMPZHMF-CYBMUJFWSA-N 1 0 355.385 2.781 20 5 FFBDRO CC[NH+]1CCC(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000273127853 252225719 /nfs/dbraw/zinc/22/57/19/252225719.db2.gz QAGLDFVRTSMFGV-UHFFFAOYSA-N 1 0 357.863 2.941 20 5 FFBDRO COCCOCCOCCN(C)c1cc(C)[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000276287923 256087085 /nfs/dbraw/zinc/08/70/85/256087085.db2.gz ZFIZJBFSSQBVJQ-UHFFFAOYSA-N 1 0 363.414 2.567 20 5 FFBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000285765126 257003506 /nfs/dbraw/zinc/00/35/06/257003506.db2.gz KUZDWHSNHXVKOR-NVXWUHKLSA-N 1 0 372.469 2.894 20 5 FFBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C1CCN(c2cccnn2)CC1)C1CC1 ZINC000277074513 256158409 /nfs/dbraw/zinc/15/84/09/256158409.db2.gz JBFFCIGQEMSWGQ-SFHVURJKSA-N 1 0 367.453 2.965 20 5 FFBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C1 ZINC000277074545 256158647 /nfs/dbraw/zinc/15/86/47/256158647.db2.gz TTYVTEFDPBGFLY-YJBOKZPZSA-N 1 0 372.469 2.751 20 5 FFBDRO Cn1cc(CN2CCC[C@H]([NH+](C)C)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000277657620 256222785 /nfs/dbraw/zinc/22/27/85/256222785.db2.gz ZOQMYAXHSNUWPH-KRWDZBQOSA-N 1 0 357.458 2.911 20 5 FFBDRO O=C(NCC1CC[NH+](C2CC2)CC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000278516513 256321062 /nfs/dbraw/zinc/32/10/62/256321062.db2.gz KNRJMBYCTCFPNV-UHFFFAOYSA-N 1 0 372.469 2.799 20 5 FFBDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000278326676 256300295 /nfs/dbraw/zinc/30/02/95/256300295.db2.gz ARULQZLWYIDGCN-ZDUSSCGKSA-N 1 0 353.850 2.933 20 5 FFBDRO COc1cc(C[N@@H+]2CCC[C@@](C)(O)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000279854682 256457494 /nfs/dbraw/zinc/45/74/94/256457494.db2.gz BFNJCFZBFBYOQQ-MRXNPFEDSA-N 1 0 360.357 2.942 20 5 FFBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@H]1CCC2(CCOCC2)[C@H]1O ZINC000282646058 256770206 /nfs/dbraw/zinc/77/02/06/256770206.db2.gz HLTPKNUUMAWRMT-WBMJQRKESA-N 1 0 354.834 2.906 20 5 FFBDRO Cc1cc(F)c(NC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000283641882 256893203 /nfs/dbraw/zinc/89/32/03/256893203.db2.gz BZKSCXXVEDJUFK-CYBMUJFWSA-N 1 0 350.394 2.992 20 5 FFBDRO CCS[C@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000286009288 257015851 /nfs/dbraw/zinc/01/58/51/257015851.db2.gz GVCSRIQPRUCGOW-HIFRSBDPSA-N 1 0 353.444 2.806 20 5 FFBDRO [NH3+]CC[C@@H]1CCCCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000286315697 257031004 /nfs/dbraw/zinc/03/10/04/257031004.db2.gz YFBZQYZTDIEADH-JTQLQIEISA-N 1 0 374.210 2.840 20 5 FFBDRO O=[N+]([O-])c1ccc2oc(CN3CC[C@H](C(F)(F)F)[C@H](CO)C3)nc2c1 ZINC000286609236 257045396 /nfs/dbraw/zinc/04/53/96/257045396.db2.gz RMFWOAHTZISPCF-ONGXEEELSA-N 1 0 359.304 2.729 20 5 FFBDRO Cc1c(NC(=O)CCN2CC[C@H]([NH+]3CCCC3)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000286805537 257056163 /nfs/dbraw/zinc/05/61/63/257056163.db2.gz JETFVDTWKYMSHJ-YJBOKZPZSA-N 1 0 360.458 2.790 20 5 FFBDRO CC(C)c1n[nH]c(C(=O)N[C@@H](C[NH+](C)C)c2ccc(F)cc2)c1[N+](=O)[O-] ZINC000287963095 257133871 /nfs/dbraw/zinc/13/38/71/257133871.db2.gz AMIIJTCFAFFLDN-ZDUSSCGKSA-N 1 0 363.393 2.613 20 5 FFBDRO C[C@@H]1C[N@H+](CCCNc2ncnc3sc([N+](=O)[O-])cc32)CCCO1 ZINC000287686117 257102474 /nfs/dbraw/zinc/10/24/74/257102474.db2.gz JRRCFMVFCUODKI-LLVKDONJSA-N 1 0 351.432 2.512 20 5 FFBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000288198754 257158954 /nfs/dbraw/zinc/15/89/54/257158954.db2.gz CMDUAHYSMXLYEE-DOTOQJQBSA-N 1 0 372.469 2.894 20 5 FFBDRO CN(C(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])nc1 ZINC000288737658 257222107 /nfs/dbraw/zinc/22/21/07/257222107.db2.gz HCHZJDRACNPWTM-INIZCTEOSA-N 1 0 354.410 2.865 20 5 FFBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1ccccc1OCC[NH+](C)C ZINC000288453997 257190352 /nfs/dbraw/zinc/19/03/52/257190352.db2.gz TXDZLXGYJUHGNS-UHFFFAOYSA-N 1 0 371.437 2.850 20 5 FFBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)Nc1cc([N+](=O)[O-])ccc1CC ZINC000289654113 257292285 /nfs/dbraw/zinc/29/22/85/257292285.db2.gz DMKOPJCASCBJFY-OAHLLOKOSA-N 1 0 352.435 2.636 20 5 FFBDRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)Nc1cccc([N+](=O)[O-])c1Cl ZINC000289683969 257293915 /nfs/dbraw/zinc/29/39/15/257293915.db2.gz NMVOTNXEQRCZAA-GFCCVEGCSA-N 1 0 370.837 2.607 20 5 FFBDRO Cc1cnn([C@@H]2CC[N@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3C)C2)c1 ZINC000289785869 257299473 /nfs/dbraw/zinc/29/94/73/257299473.db2.gz HLCZZDNPEOSZAW-MRXNPFEDSA-N 1 0 357.414 2.684 20 5 FFBDRO Cc1nc(N2CCC[N@H+](CCCc3ccccc3)CC2)ncc1[N+](=O)[O-] ZINC000294786137 257602737 /nfs/dbraw/zinc/60/27/37/257602737.db2.gz AZXQUYRAHZFAKD-UHFFFAOYSA-N 1 0 355.442 2.838 20 5 FFBDRO Cc1c(C(=O)NC2CC[NH+](C3CCC3)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000297248824 257806466 /nfs/dbraw/zinc/80/64/66/257806466.db2.gz SYSJMSRSCMHTTH-UHFFFAOYSA-N 1 0 362.386 2.558 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000298783137 257940432 /nfs/dbraw/zinc/94/04/32/257940432.db2.gz ADYZZHXGVFGPBX-UHFFFAOYSA-N 1 0 367.471 2.542 20 5 FFBDRO CC(C)(C)CC[NH+]1CCN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC1 ZINC000301074243 258023372 /nfs/dbraw/zinc/02/33/72/258023372.db2.gz HVGRKXUFUSKFQY-UHFFFAOYSA-N 1 0 359.430 2.802 20 5 FFBDRO Cc1c(CO)cc([N+](=O)[O-])c(NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000301120795 258026661 /nfs/dbraw/zinc/02/66/61/258026661.db2.gz SMDAVRFULWOKMB-NEPJUHHUSA-N 1 0 366.418 2.836 20 5 FFBDRO C[C@H]1C[NH+](CC2CCN(c3ncc([N+](=O)[O-])cc3Cl)CC2)C[C@H](C)O1 ZINC000301274960 258039010 /nfs/dbraw/zinc/03/90/10/258039010.db2.gz LPGKXMGKVITGLZ-STQMWFEESA-N 1 0 368.865 2.969 20 5 FFBDRO COc1ccc(NC(=O)CC[N@H+](Cc2ccncc2)C2CC2)c([N+](=O)[O-])c1 ZINC000299530743 258002751 /nfs/dbraw/zinc/00/27/51/258002751.db2.gz DSBJEKDTBIWZTM-UHFFFAOYSA-N 1 0 370.409 2.992 20 5 FFBDRO CC[C@@H]1CN(c2cc(C)nc3c2cccc3[N+](=O)[O-])CC[N@@H+]1C[C@H](C)O ZINC000302022642 258083136 /nfs/dbraw/zinc/08/31/36/258083136.db2.gz ORBSVYMQNHZYLG-LSDHHAIUSA-N 1 0 358.442 2.733 20 5 FFBDRO Nc1nc(N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)ncc1[N+](=O)[O-] ZINC000302200699 258094808 /nfs/dbraw/zinc/09/48/08/258094808.db2.gz ZDZNDCPBRWHGEL-BZUAXINKSA-N 1 0 368.441 2.680 20 5 FFBDRO Cc1cccc(NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000302469537 258102799 /nfs/dbraw/zinc/10/27/99/258102799.db2.gz CJSOSAJSUOMJMP-UHFFFAOYSA-N 1 0 362.474 2.942 20 5 FFBDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000302499713 258104023 /nfs/dbraw/zinc/10/40/23/258104023.db2.gz CKESUNQWEXYVJK-NSHDSACASA-N 1 0 361.364 2.895 20 5 FFBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc([N+](=O)[O-])ccc1Br ZINC000317144153 258116040 /nfs/dbraw/zinc/11/60/40/258116040.db2.gz FOMPHKXUCMFDCN-WDEREUQCSA-N 1 0 368.231 2.714 20 5 FFBDRO CC[NH+]1CCN([C@@H](C)CNc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000301524576 258053934 /nfs/dbraw/zinc/05/39/34/258053934.db2.gz MRQMZAVJKSRGLV-LBPRGKRZSA-N 1 0 371.279 2.795 20 5 FFBDRO C[NH+](C)[C@H](CNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2)c1cccc(F)c1 ZINC000301584652 258057429 /nfs/dbraw/zinc/05/74/29/258057429.db2.gz AQNOUWOROWBNCY-MRXNPFEDSA-N 1 0 374.372 2.780 20 5 FFBDRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000301809135 258068874 /nfs/dbraw/zinc/06/88/74/258068874.db2.gz XLDOOQIXRMEPGV-ZIAGYGMSSA-N 1 0 368.428 2.868 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(N2CC[C@H](OCC[NH+]3CCCCC3)C2)c(F)c1 ZINC000301838838 258070416 /nfs/dbraw/zinc/07/04/16/258070416.db2.gz ZGAIQCAXAPDPFV-AWEZNQCLSA-N 1 0 355.385 2.954 20 5 FFBDRO COc1cc(CN2CC[N@H+](C)CC2(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000330580230 258166032 /nfs/dbraw/zinc/16/60/32/258166032.db2.gz TWLABGZOQYYSDH-UHFFFAOYSA-N 1 0 359.373 2.731 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N(C)CC[NH+]3CCCC3)cc2[N+](=O)[O-])C1 ZINC000331528217 258189626 /nfs/dbraw/zinc/18/96/26/258189626.db2.gz WRXGAYFPKWKUFI-MRXNPFEDSA-N 1 0 374.485 2.999 20 5 FFBDRO C[C@H](NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000332009751 258210097 /nfs/dbraw/zinc/21/00/97/258210097.db2.gz ZEYFJWZERCNMNL-GUYCJALGSA-N 1 0 363.483 2.990 20 5 FFBDRO CC(C)c1n[nH]c(C(=O)NC2CC[NH+](C3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000332136869 258215852 /nfs/dbraw/zinc/21/58/52/258215852.db2.gz MCSPWHVNSPEMFD-UHFFFAOYSA-N 1 0 363.462 2.968 20 5 FFBDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(Br)cc1[N+](=O)[O-] ZINC000332228241 258219966 /nfs/dbraw/zinc/21/99/66/258219966.db2.gz CQYPJFWXOBIUPW-CHWSQXEVSA-N 1 0 368.231 2.714 20 5 FFBDRO C[C@H]1CCCN(c2ccc(C(=O)N3CCC[C@H]([NH+](C)C)C3)cc2[N+](=O)[O-])C1 ZINC000332378584 258227963 /nfs/dbraw/zinc/22/79/63/258227963.db2.gz NTTVVAQSTIAELO-RDJZCZTQSA-N 1 0 374.485 2.997 20 5 FFBDRO CC(C)[NH+]1CCC(N2CCN(Cc3csc([N+](=O)[O-])c3)CC2)CC1 ZINC000332424873 258229930 /nfs/dbraw/zinc/22/99/30/258229930.db2.gz SYEUPBAKIHSILA-UHFFFAOYSA-N 1 0 352.504 2.647 20 5 FFBDRO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000332474808 258231730 /nfs/dbraw/zinc/23/17/30/258231730.db2.gz KZQJCBUARLCRDO-TZMCWYRMSA-N 1 0 366.849 2.745 20 5 FFBDRO CC(C)c1n[nH]c(C(=O)NC2CC[NH+](CC3CCCC3)CC2)c1[N+](=O)[O-] ZINC000331819024 258201611 /nfs/dbraw/zinc/20/16/11/258201611.db2.gz HBOPIQXDLGEPRR-UHFFFAOYSA-N 1 0 363.462 2.826 20 5 FFBDRO C[NH+](C)C1CCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000065308805 506285519 /nfs/dbraw/zinc/28/55/19/506285519.db2.gz ZRAKINDKZSHVSQ-UHFFFAOYSA-N 1 0 360.439 2.885 20 5 FFBDRO C[C@@H](CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)[N@@H+]1CCCC[C@@H]1C ZINC000032737681 506287697 /nfs/dbraw/zinc/28/76/97/506287697.db2.gz GBNRWGPDGBDBFG-GJZGRUSLSA-N 1 0 371.441 2.773 20 5 FFBDRO CCCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000065536705 506319267 /nfs/dbraw/zinc/31/92/67/506319267.db2.gz RVBXBSAZOUOMMX-CVEARBPZSA-N 1 0 363.458 2.990 20 5 FFBDRO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)Cn3ccc([N+](=O)[O-])n3)cc2)C1 ZINC000053191143 506330182 /nfs/dbraw/zinc/33/01/82/506330182.db2.gz BLDOQYVQWJCUPD-CQSZACIVSA-N 1 0 357.414 2.662 20 5 FFBDRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000065747656 506357017 /nfs/dbraw/zinc/35/70/17/506357017.db2.gz BBLBHLNHQIZTHN-UHFFFAOYSA-N 1 0 370.409 2.666 20 5 FFBDRO C[C@@H](CC[S@](C)=O)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602567562 521414525 /nfs/dbraw/zinc/41/45/25/521414525.db2.gz GSLQMLWPUWVEQU-VIIUKITBSA-N 1 0 355.279 2.666 20 5 FFBDRO CNC(=O)c1ccc(NC[C@@H](c2ccccc2OC)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000053550350 506402255 /nfs/dbraw/zinc/40/22/55/506402255.db2.gz LMNRPHPIKWZEGM-KRWDZBQOSA-N 1 0 372.425 2.678 20 5 FFBDRO Cc1cccc(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)c1[N+](=O)[O-] ZINC000053991887 506472625 /nfs/dbraw/zinc/47/26/25/506472625.db2.gz ZLQWCUYIVINBKK-UHFFFAOYSA-N 1 0 357.410 2.774 20 5 FFBDRO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000371241512 512285709 /nfs/dbraw/zinc/28/57/09/512285709.db2.gz COUZDUGBXBAIMW-HOCLYGCPSA-N 1 0 358.442 2.773 20 5 FFBDRO Cc1noc([C@@H]2CCC[N@H+](CCC(=O)Nc3cccc([N+](=O)[O-])c3C)C2)n1 ZINC000054676248 506600375 /nfs/dbraw/zinc/60/03/75/506600375.db2.gz LJHWIHFIAKILAH-CQSZACIVSA-N 1 0 373.413 2.803 20 5 FFBDRO Cc1occc1C(=O)NC1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000066890112 506682473 /nfs/dbraw/zinc/68/24/73/506682473.db2.gz UBOIHSHWEYZGGY-UHFFFAOYSA-N 1 0 373.409 2.769 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000043149468 506709203 /nfs/dbraw/zinc/70/92/03/506709203.db2.gz DHUKRCGCIJMSRR-KBPBESRZSA-N 1 0 350.419 2.524 20 5 FFBDRO C[NH+](C)Cc1cccc(CNC(=O)CCNc2ccccc2[N+](=O)[O-])c1 ZINC000043978247 506803723 /nfs/dbraw/zinc/80/37/23/506803723.db2.gz OVCPOOOUYYMAPQ-UHFFFAOYSA-N 1 0 356.426 2.775 20 5 FFBDRO O=C(NCC1CC1)[C@H]1CCC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000055903749 506881859 /nfs/dbraw/zinc/88/18/59/506881859.db2.gz DMPYZMVPPBQXIY-INIZCTEOSA-N 1 0 361.442 2.602 20 5 FFBDRO C[C@@H](CNC(=O)NCc1ccccc1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000045623019 506993235 /nfs/dbraw/zinc/99/32/35/506993235.db2.gz CMGKPFBSNGMCCD-HNNXBMFYSA-N 1 0 368.437 2.841 20 5 FFBDRO C[C@H](Nc1ccc(C(=O)NC[C@H](C)[NH+](C)C)cc1[N+](=O)[O-])c1ccccn1 ZINC000068064320 507097612 /nfs/dbraw/zinc/09/76/12/507097612.db2.gz MXQLFATVYPIDJO-KBPBESRZSA-N 1 0 371.441 2.843 20 5 FFBDRO COc1cccc([C@H](CNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)[NH+](C)C)c1 ZINC000057288609 507229866 /nfs/dbraw/zinc/22/98/66/507229866.db2.gz SCQVBLIYRCSHAT-KRWDZBQOSA-N 1 0 373.409 2.645 20 5 FFBDRO COc1cccc([C@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2)[NH+](C)C)c1 ZINC000057288611 507229900 /nfs/dbraw/zinc/22/99/00/507229900.db2.gz WHLVRLPTTVVOHD-SFHVURJKSA-N 1 0 357.410 2.565 20 5 FFBDRO COc1cccc([C@H](CNC(=O)Cc2ccccc2[N+](=O)[O-])[NH+](C)C)c1 ZINC000057288432 507230020 /nfs/dbraw/zinc/23/00/20/507230020.db2.gz CKILBAGVMUVYKP-SFHVURJKSA-N 1 0 357.410 2.565 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000069077583 507399324 /nfs/dbraw/zinc/39/93/24/507399324.db2.gz FJQXDTGHLTWPKY-QGZVFWFLSA-N 1 0 360.458 2.792 20 5 FFBDRO C[NH+](C)[C@H](CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccsc1 ZINC000025329784 507489508 /nfs/dbraw/zinc/48/95/08/507489508.db2.gz WZJIVLKTWXVBAY-CQSZACIVSA-N 1 0 364.383 2.597 20 5 FFBDRO CNc1ccc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000025377204 507494360 /nfs/dbraw/zinc/49/43/60/507494360.db2.gz MRQDCWLXHUIUBK-MRXNPFEDSA-N 1 0 358.398 2.796 20 5 FFBDRO CCOc1cc(C(=O)N[C@@H](C)C[NH+]2CCCCC2)c([N+](=O)[O-])cc1OC ZINC000027756087 507681709 /nfs/dbraw/zinc/68/17/09/507681709.db2.gz IWOSNJOVEJBHEZ-ZDUSSCGKSA-N 1 0 365.430 2.606 20 5 FFBDRO O=C(C[N@@H+](CCO)C1CCCCC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000071079900 507692247 /nfs/dbraw/zinc/69/22/47/507692247.db2.gz AAJWHEHDSIJYBB-UHFFFAOYSA-N 1 0 355.822 2.814 20 5 FFBDRO CC[N@@H+]1CC[C@H](CNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000051469038 507771986 /nfs/dbraw/zinc/77/19/86/507771986.db2.gz PEPSUCAPSJYGHO-GFCCVEGCSA-N 1 0 360.439 2.790 20 5 FFBDRO C[NH+](C)[C@H](CNC(=O)NCCNc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000072487679 507798772 /nfs/dbraw/zinc/79/87/72/507798772.db2.gz KSIVEHDLQUCWOZ-GOSISDBHSA-N 1 0 371.441 2.609 20 5 FFBDRO C[NH+](C)CCN(Cc1ccccc1)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000072729566 507848795 /nfs/dbraw/zinc/84/87/95/507848795.db2.gz CCPULZZSEACOKB-UHFFFAOYSA-N 1 0 357.410 2.564 20 5 FFBDRO C[C@@H]1CCCC[N@@H+]1CCCNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000089619530 507850807 /nfs/dbraw/zinc/85/08/07/507850807.db2.gz ZPAOEMCYBUDYOS-CYBMUJFWSA-N 1 0 355.460 2.675 20 5 FFBDRO CCOc1ccc([C@@H](C)[NH2+]CCS(=O)(=O)C(C)(C)C)cc1[N+](=O)[O-] ZINC000089628770 507852235 /nfs/dbraw/zinc/85/22/35/507852235.db2.gz FNFXGFHIXWDJOR-GFCCVEGCSA-N 1 0 358.460 2.857 20 5 FFBDRO CC[NH+](CC)C[C@@H]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000072823379 507857840 /nfs/dbraw/zinc/85/78/40/507857840.db2.gz YVUSLKUEAFDHOR-ZDUSSCGKSA-N 1 0 368.865 2.850 20 5 FFBDRO CC[NH+](CC)C[C@@H]1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000072824019 507858722 /nfs/dbraw/zinc/85/87/22/507858722.db2.gz VCPINGXKFPAKTP-AWEZNQCLSA-N 1 0 359.430 2.809 20 5 FFBDRO CC(C)(CO)[NH+]1CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1 ZINC000090093097 507908405 /nfs/dbraw/zinc/90/84/05/507908405.db2.gz FPSZJUNBHIHZLH-UHFFFAOYSA-N 1 0 356.426 2.550 20 5 FFBDRO C[C@H]([NH2+]C[C@H]1C[C@H](O)CN1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000090913890 507939403 /nfs/dbraw/zinc/93/94/03/507939403.db2.gz NOZHCLJBAMDXJM-BEVDRBHNSA-N 1 0 355.438 2.881 20 5 FFBDRO CC(C)(C)C[N@H+](CCCO)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000109747360 507984297 /nfs/dbraw/zinc/98/42/97/507984297.db2.gz YVGRCCFCZSATEV-UHFFFAOYSA-N 1 0 357.838 2.917 20 5 FFBDRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000079683592 507990370 /nfs/dbraw/zinc/99/03/70/507990370.db2.gz FRJSJHXYWLZTHN-SNVBAGLBSA-N 1 0 357.332 2.828 20 5 FFBDRO CN(CC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000079961382 508020512 /nfs/dbraw/zinc/02/05/12/508020512.db2.gz XYRSFCFOGIGNSN-MRXNPFEDSA-N 1 0 360.458 2.508 20 5 FFBDRO C[C@@H](CNC(=O)COc1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1ccccc1 ZINC000110351919 508023355 /nfs/dbraw/zinc/02/33/55/508023355.db2.gz PBBBQAADORGCAA-HNNXBMFYSA-N 1 0 357.410 2.610 20 5 FFBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000075108501 508083071 /nfs/dbraw/zinc/08/30/71/508083071.db2.gz YMEDEDXDBFPUOK-QGZVFWFLSA-N 1 0 360.458 2.701 20 5 FFBDRO C[NH+]1CCN(Cc2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2)CC1 ZINC000075450795 508107967 /nfs/dbraw/zinc/10/79/67/508107967.db2.gz XHBNAKCCJYATGH-UHFFFAOYSA-N 1 0 354.410 2.595 20 5 FFBDRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000111575230 508108713 /nfs/dbraw/zinc/10/87/13/508108713.db2.gz GJDZHBGORFXOOO-ZDUSSCGKSA-N 1 0 374.441 2.677 20 5 FFBDRO C[C@H]1CC(C)(C)C[C@](CO)([NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000080899251 508109822 /nfs/dbraw/zinc/10/98/22/508109822.db2.gz NXPZMEZJZKMWOB-IFXJQAMLSA-N 1 0 363.458 2.725 20 5 FFBDRO CCCC[N@H+](C)CC1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000112918655 508233541 /nfs/dbraw/zinc/23/35/41/508233541.db2.gz AKFJBLUEJQCUQW-UHFFFAOYSA-N 1 0 363.458 2.944 20 5 FFBDRO C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000103481685 508314710 /nfs/dbraw/zinc/31/47/10/508314710.db2.gz VVGWVCZONBHOGQ-LLVKDONJSA-N 1 0 367.402 2.574 20 5 FFBDRO CN1CC[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000377673639 512389903 /nfs/dbraw/zinc/38/99/03/512389903.db2.gz MVJLOHRLKFZEFX-JKSUJKDBSA-N 1 0 367.812 2.619 20 5 FFBDRO O=C(COc1ccccc1[N+](=O)[O-])NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000114644911 508333556 /nfs/dbraw/zinc/33/35/56/508333556.db2.gz FGDKRWFKPCRJFG-KRWDZBQOSA-N 1 0 369.421 2.754 20 5 FFBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])s2)[C@H](C)C1 ZINC000115273315 508380561 /nfs/dbraw/zinc/38/05/61/508380561.db2.gz GQPBEQCVSDLOQQ-CHWSQXEVSA-N 1 0 355.460 2.523 20 5 FFBDRO CCC[C@@H]1CN(Cc2ccc(OC)c([N+](=O)[O-])c2)CC[N@@H+]1CCOC ZINC000121795104 508420472 /nfs/dbraw/zinc/42/04/72/508420472.db2.gz MBRJACAAXVOYHZ-MRXNPFEDSA-N 1 0 351.447 2.536 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)CSc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000127335273 508434050 /nfs/dbraw/zinc/43/40/50/508434050.db2.gz SNTVBOPHMPAGNZ-KGLIPLIRSA-N 1 0 351.472 2.876 20 5 FFBDRO CC(C)NC(=O)c1ccc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c([N+](=O)[O-])c1 ZINC000133734222 508441207 /nfs/dbraw/zinc/44/12/07/508441207.db2.gz OYUQRJPWLZMUCQ-HZPDHXFCSA-N 1 0 360.458 2.654 20 5 FFBDRO Cc1cc(C(=O)NC[C@@H](c2ccccc2)N2CCOCC2)cc([N+](=O)[O-])c1 ZINC000121952235 508455503 /nfs/dbraw/zinc/45/55/03/508455503.db2.gz JOAXFYSCZJLWGN-IBGZPJMESA-N 1 0 369.421 2.707 20 5 FFBDRO C[NH+](C)[C@@H](CNC(=O)COc1ccc([N+](=O)[O-])c(F)c1)c1cccs1 ZINC000122003875 508466096 /nfs/dbraw/zinc/46/60/96/508466096.db2.gz XZEVYLSABHSHEX-AWEZNQCLSA-N 1 0 367.402 2.593 20 5 FFBDRO O=[N+]([O-])c1cc(CN2CCC(C[NH+]3CCOCC3)CC2)ccc1Cl ZINC000122551889 508552962 /nfs/dbraw/zinc/55/29/62/508552962.db2.gz FPTQILDSNWMNOA-UHFFFAOYSA-N 1 0 353.850 2.792 20 5 FFBDRO C[NH+](C)[C@@H](CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000153650111 508617242 /nfs/dbraw/zinc/61/72/42/508617242.db2.gz GEXRCAHFKWOJMP-IBGZPJMESA-N 1 0 368.437 2.965 20 5 FFBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H](C)CN2CCOCC2)cc1[N+](=O)[O-] ZINC000153902062 508673815 /nfs/dbraw/zinc/67/38/15/508673815.db2.gz FLSQBSSYHZZVNM-CABCVRRESA-N 1 0 351.447 2.612 20 5 FFBDRO CC[N@@H+]1CCCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000118826169 508679716 /nfs/dbraw/zinc/67/97/16/508679716.db2.gz YLZPGSXBRQMGRP-LBPRGKRZSA-N 1 0 354.838 2.603 20 5 FFBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000153937898 508681099 /nfs/dbraw/zinc/68/10/99/508681099.db2.gz FCQCBNLWFDTSHT-CRAIPNDOSA-N 1 0 372.469 2.872 20 5 FFBDRO O=c1[nH]c2ccccc2cc1C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000118866989 508688620 /nfs/dbraw/zinc/68/86/20/508688620.db2.gz QZBYQPNDDNEYND-HNNXBMFYSA-N 1 0 365.393 2.518 20 5 FFBDRO C[C@@H]1C[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2N)C[N@@H+]1Cc1ccccc1 ZINC000137495499 508758684 /nfs/dbraw/zinc/75/86/84/508758684.db2.gz MRNWPIYBWQNBGX-UKRRQHHQSA-N 1 0 354.410 2.570 20 5 FFBDRO C[C@H]1C[C@H](N(C)C(=O)c2ccc(Br)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000124188208 508794777 /nfs/dbraw/zinc/79/47/77/508794777.db2.gz HEOHYKIAKFFWAO-CMPLNLGQSA-N 1 0 370.247 2.912 20 5 FFBDRO O=[N+]([O-])c1ccn(CCN2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)n1 ZINC000159234038 508811785 /nfs/dbraw/zinc/81/17/85/508811785.db2.gz XWUABLDAYAZESK-OALUTQOASA-N 1 0 369.469 2.778 20 5 FFBDRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@H]2CC(C)(C)OC2(C)C)c([N+](=O)[O-])c1 ZINC000119803891 508865966 /nfs/dbraw/zinc/86/59/66/508865966.db2.gz CDYLQKQDZNJBIZ-ABAIWWIYSA-N 1 0 365.430 2.866 20 5 FFBDRO CCOc1ccc([C@@H]2CCC[N@@H+]2CCn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000159702255 508877333 /nfs/dbraw/zinc/87/73/33/508877333.db2.gz QXVGRGKPMWFGAS-SFHVURJKSA-N 1 0 357.410 2.992 20 5 FFBDRO CCC(CC)(CNC(=O)c1[nH]ncc1[N+](=O)[O-])[NH2+][C@@H](C)c1ccccc1 ZINC000154950182 508889870 /nfs/dbraw/zinc/88/98/70/508889870.db2.gz BIMUOGNSWPAISK-ZDUSSCGKSA-N 1 0 359.430 2.957 20 5 FFBDRO C[C@@H](Nc1ccc(C(=O)N[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000120143154 508936895 /nfs/dbraw/zinc/93/68/95/508936895.db2.gz YGUPRFUGJHUEMU-HIFRSBDPSA-N 1 0 369.425 2.645 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C(=O)N(CC[NH+](C)C)Cc2ccc(C)o2)c1 ZINC000151078052 508951752 /nfs/dbraw/zinc/95/17/52/508951752.db2.gz AJKOSHWNQZVLIF-UHFFFAOYSA-N 1 0 361.398 2.709 20 5 FFBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2ccccc2OCc2cccnc2)c1 ZINC000151255537 508987262 /nfs/dbraw/zinc/98/72/62/508987262.db2.gz ZGVKKTNNNXWAHE-UHFFFAOYSA-N 1 0 353.382 2.555 20 5 FFBDRO Cc1ccc(NCCCNC(=O)C[C@H](C)C2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000160484695 508993655 /nfs/dbraw/zinc/99/36/55/508993655.db2.gz IPBUYDXUESBYTP-HNNXBMFYSA-N 1 0 362.474 2.847 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1[C@H](C)C[N@@H+](C)C[C@@H]1C ZINC000155470045 509007405 /nfs/dbraw/zinc/00/74/05/509007405.db2.gz SYUKFCDLXIRBJB-GRYCIOLGSA-N 1 0 355.822 2.567 20 5 FFBDRO CC[NH+]1CCC(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000151634127 509056913 /nfs/dbraw/zinc/05/69/13/509056913.db2.gz IPJWLWBVUTUTSO-UHFFFAOYSA-N 1 0 370.247 2.500 20 5 FFBDRO CC[NH+]1CCC(N(C)C(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000120795502 509066245 /nfs/dbraw/zinc/06/62/45/509066245.db2.gz HVJUWDKEGFAKGN-UHFFFAOYSA-N 1 0 370.247 2.914 20 5 FFBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC(C)(C)C[NH+](C)C ZINC000161140059 509077037 /nfs/dbraw/zinc/07/70/37/509077037.db2.gz FCJNRJQNHPHRCG-UHFFFAOYSA-N 1 0 369.487 2.651 20 5 FFBDRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000151920841 509111668 /nfs/dbraw/zinc/11/16/68/509111668.db2.gz LBUUUTJQIWMYKQ-OLZOCXBDSA-N 1 0 363.439 2.915 20 5 FFBDRO CC(C)=CCC[C@@H](C)[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000161960016 509166646 /nfs/dbraw/zinc/16/66/46/509166646.db2.gz VWVWFMNKOLRVCA-CQSZACIVSA-N 1 0 355.460 2.598 20 5 FFBDRO CC(C)[NH+]1CCC(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 ZINC000198159919 509221770 /nfs/dbraw/zinc/22/17/70/509221770.db2.gz XJXQRAQIZIRBRS-UHFFFAOYSA-N 1 0 360.458 2.798 20 5 FFBDRO O=C1CCc2cc([N+](=O)[O-])c(N3CC[C@@H](C[NH+]4CCCCC4)C3)cc2N1 ZINC000172774794 509227447 /nfs/dbraw/zinc/22/74/47/509227447.db2.gz KAAMZFNCVHQHMD-AWEZNQCLSA-N 1 0 358.442 2.792 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000162465905 509231044 /nfs/dbraw/zinc/23/10/44/509231044.db2.gz PAIUGWZMRQKLHI-OKILXGFUSA-N 1 0 350.419 2.524 20 5 FFBDRO CC[NH+]1CCC(CCNS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000191991052 509280506 /nfs/dbraw/zinc/28/05/06/509280506.db2.gz FRGJUSIJMQDAMX-UHFFFAOYSA-N 1 0 369.487 2.612 20 5 FFBDRO C[N@@H+]1CC[C@H](NC(=O)NCc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000179137071 509280816 /nfs/dbraw/zinc/28/08/16/509280816.db2.gz PBPFDDWLBMIDCI-ROUUACIJSA-N 1 0 354.410 2.839 20 5 FFBDRO O=C1c2ccccc2CCN1CC[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000189034785 509378421 /nfs/dbraw/zinc/37/84/21/509378421.db2.gz NLAGIFSONFVVQD-VMPITWQZSA-N 1 0 351.406 2.896 20 5 FFBDRO C[N@@H+](CCc1ccc(Br)cc1)CCn1ccc([N+](=O)[O-])n1 ZINC000176235573 509394425 /nfs/dbraw/zinc/39/44/25/509394425.db2.gz TXWKDZYXFFRRDJ-UHFFFAOYSA-N 1 0 353.220 2.728 20 5 FFBDRO CC[NH+](CC)CCCCNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000164071353 509460974 /nfs/dbraw/zinc/46/09/74/509460974.db2.gz HVMAVQCHJOEFLN-UHFFFAOYSA-N 1 0 359.430 2.632 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N3CCCC[C@H]3C[NH3+])cc2[N+](=O)[O-])CC1 ZINC000236668159 509476420 /nfs/dbraw/zinc/47/64/20/509476420.db2.gz GGNRUADCFMRDRO-INIZCTEOSA-N 1 0 360.458 2.785 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000182976922 509527152 /nfs/dbraw/zinc/52/71/52/509527152.db2.gz SVPKTEUNGYOHTQ-ZDUSSCGKSA-N 1 0 350.419 2.989 20 5 FFBDRO Nc1c(C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)cccc1[N+](=O)[O-] ZINC000176468037 509529367 /nfs/dbraw/zinc/52/93/67/509529367.db2.gz HQWLIOAUBRHFRY-HNNXBMFYSA-N 1 0 360.458 2.905 20 5 FFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000248905162 509537516 /nfs/dbraw/zinc/53/75/16/509537516.db2.gz UULJPSMVWTWOMK-CZUORRHYSA-N 1 0 355.394 2.551 20 5 FFBDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000165915348 509589118 /nfs/dbraw/zinc/58/91/18/509589118.db2.gz YUYZDMIOEXTOAU-ZJUUUORDSA-N 1 0 356.220 2.557 20 5 FFBDRO CC[NH+]1CCC(NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CC1 ZINC000267934616 509676646 /nfs/dbraw/zinc/67/66/46/509676646.db2.gz PRGRDFVWKNMERZ-UHFFFAOYSA-N 1 0 374.210 2.711 20 5 FFBDRO C[C@@](C[NH3+])(NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CC1 ZINC000237622436 509692264 /nfs/dbraw/zinc/69/22/64/509692264.db2.gz FTPZRTCHLPSOEV-HNNXBMFYSA-N 1 0 374.363 2.659 20 5 FFBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000267986980 509703924 /nfs/dbraw/zinc/70/39/24/509703924.db2.gz PKINABFNJJCWDC-HIFRSBDPSA-N 1 0 369.487 2.548 20 5 FFBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCC([NH3+])CC3)cc2[N+](=O)[O-])C1 ZINC000237690928 509712621 /nfs/dbraw/zinc/71/26/21/509712621.db2.gz BGHZPLCALCXXNF-OKILXGFUSA-N 1 0 360.458 2.640 20 5 FFBDRO O=C1[C@@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCN1CC(F)(F)F ZINC000192990639 509727642 /nfs/dbraw/zinc/72/76/42/509727642.db2.gz SSFZYSHVYCAKOV-KGLIPLIRSA-N 1 0 357.332 2.725 20 5 FFBDRO C[C@H](NC(=O)CNc1ccccc1[N+](=O)[O-])[C@@H](c1ccccc1)[NH+](C)C ZINC000186494257 509737665 /nfs/dbraw/zinc/73/76/65/509737665.db2.gz UFFCAEVQXLPFME-LIRRHRJNSA-N 1 0 356.426 2.814 20 5 FFBDRO CCOC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C(C)C ZINC000189799804 509759605 /nfs/dbraw/zinc/75/96/05/509759605.db2.gz NOBWNJWVSRMKNM-IUODEOHRSA-N 1 0 353.419 2.581 20 5 FFBDRO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCC([NH2+]CC2CC2)CC1 ZINC000237895720 509766171 /nfs/dbraw/zinc/76/61/71/509766171.db2.gz MYNOSYKYRHVGRK-UHFFFAOYSA-N 1 0 372.469 2.799 20 5 FFBDRO O=C(Cc1ccccc1[N+](=O)[O-])N(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000186566076 509775787 /nfs/dbraw/zinc/77/57/87/509775787.db2.gz IAUVMYVFSVYDGV-GOSISDBHSA-N 1 0 368.437 2.703 20 5 FFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@H]2CCS(=O)(=O)C2)s1 ZINC000237956582 509785298 /nfs/dbraw/zinc/78/52/98/509785298.db2.gz BYDCYGFHCULQMS-GFCCVEGCSA-N 1 0 366.464 2.848 20 5 FFBDRO Cc1c([C@H](C)[NH2+]CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cnn1C ZINC000183434623 509788335 /nfs/dbraw/zinc/78/83/35/509788335.db2.gz GAZUKCPQIPTHPP-VIFPVBQESA-N 1 0 351.794 2.579 20 5 FFBDRO COc1cc(C[N@@H+]2CCC[C@@H]2C[C@H](C)O)c([N+](=O)[O-])cc1OCC(F)F ZINC000180170782 509791820 /nfs/dbraw/zinc/79/18/20/509791820.db2.gz UZUJYEKQINDYBV-WCQYABFASA-N 1 0 374.384 2.983 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1SC ZINC000268171627 509794524 /nfs/dbraw/zinc/79/45/24/509794524.db2.gz FBNBPGSMWDDZRT-GWCFXTLKSA-N 1 0 365.455 2.538 20 5 FFBDRO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000176987408 509800612 /nfs/dbraw/zinc/80/06/12/509800612.db2.gz YICOBIHVYMFHOO-NSHDSACASA-N 1 0 370.247 2.962 20 5 FFBDRO Cc1c([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cnn1C ZINC000183459800 509803855 /nfs/dbraw/zinc/80/38/55/509803855.db2.gz KMEYMQXFCPMDQE-UWVGGRQHSA-N 1 0 365.821 2.968 20 5 FFBDRO COCCN1CC[C@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000264985390 509810205 /nfs/dbraw/zinc/81/02/05/509810205.db2.gz VLNOGQRGMUTFJQ-AWEZNQCLSA-N 1 0 362.455 2.529 20 5 FFBDRO CC[NH+](CC)[C@@H](CNC(=O)CN(C)c1ccccc1[N+](=O)[O-])c1ccco1 ZINC000173869564 509825219 /nfs/dbraw/zinc/82/52/19/509825219.db2.gz LWSJLDORMZZVNZ-KRWDZBQOSA-N 1 0 374.441 2.823 20 5 FFBDRO C[NH+](C)CCCOC1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000177090372 509865063 /nfs/dbraw/zinc/86/50/63/509865063.db2.gz YIJILLRZSWLHFC-CMDGGOBGSA-N 1 0 361.442 2.567 20 5 FFBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[NH+](C2CCC2)CC1 ZINC000265125858 509874359 /nfs/dbraw/zinc/87/43/59/509874359.db2.gz LHEMPOCMDXLYDQ-LBPRGKRZSA-N 1 0 366.849 2.745 20 5 FFBDRO C[C@H](CNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)[N@@H+]1CCC[C@@H](C)C1 ZINC000253542022 509889319 /nfs/dbraw/zinc/88/93/19/509889319.db2.gz MWKCHWVNIGDFBR-CHWSQXEVSA-N 1 0 372.425 2.699 20 5 FFBDRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000177138855 509895434 /nfs/dbraw/zinc/89/54/34/509895434.db2.gz DWXKROFEJHXYPI-CMPLNLGQSA-N 1 0 370.356 2.897 20 5 FFBDRO C[NH+](C)[C@@H](CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])Cc1ccccc1 ZINC000253613207 509904300 /nfs/dbraw/zinc/90/43/00/509904300.db2.gz ZOOALNKVVNLQQB-CQSZACIVSA-N 1 0 367.409 2.828 20 5 FFBDRO Cc1nnc([C@H]2CCC[N@H+](CCC(=O)Nc3cccc([N+](=O)[O-])c3C)C2)[nH]1 ZINC000268417390 509916210 /nfs/dbraw/zinc/91/62/10/509916210.db2.gz BYJYEALDACWMGT-AWEZNQCLSA-N 1 0 372.429 2.538 20 5 FFBDRO C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Br)C[N@@H+]1C1CC1 ZINC000177172934 509917501 /nfs/dbraw/zinc/91/75/01/509917501.db2.gz YAQPJSDDWLWLIS-UWVGGRQHSA-N 1 0 368.231 2.712 20 5 FFBDRO Cc1cc(=O)n2nc(C[N@H+](Cc3ccc([N+](=O)[O-])cc3)C(C)C)sc2n1 ZINC000193507217 509944382 /nfs/dbraw/zinc/94/43/82/509944382.db2.gz FGRDOZGIVCRUSM-UHFFFAOYSA-N 1 0 373.438 2.778 20 5 FFBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)C1 ZINC000174178132 509986176 /nfs/dbraw/zinc/98/61/76/509986176.db2.gz KNJMFIDWWDBULJ-CYBMUJFWSA-N 1 0 364.402 2.676 20 5 FFBDRO Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000180606244 510011681 /nfs/dbraw/zinc/01/16/81/510011681.db2.gz AQHFHDORKZUXIS-KRWDZBQOSA-N 1 0 354.410 2.744 20 5 FFBDRO C[NH+](C)[C@H](CNC(=O)CCOc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000193684603 510019853 /nfs/dbraw/zinc/01/98/53/510019853.db2.gz ABKDUMBARDVTDA-QGZVFWFLSA-N 1 0 357.410 2.783 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C1CCN(Cc2nccn2C)CC1 ZINC000193722509 510036490 /nfs/dbraw/zinc/03/64/90/510036490.db2.gz AXPFPECFJJJLQC-UHFFFAOYSA-N 1 0 371.441 2.796 20 5 FFBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CC[C@](C)(C[NH3+])C3)cc2[N+](=O)[O-])C1 ZINC000261767396 510056052 /nfs/dbraw/zinc/05/60/52/510056052.db2.gz FOIWPMUAJSWQSJ-STXHMFSFSA-N 1 0 374.485 2.888 20 5 FFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000193784509 510067874 /nfs/dbraw/zinc/06/78/74/510067874.db2.gz CUWIXLUBOVGEIP-MRXNPFEDSA-N 1 0 354.410 2.550 20 5 FFBDRO CCS[C@@H]1CC[C@@H]([N@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000174346980 510070673 /nfs/dbraw/zinc/07/06/73/510070673.db2.gz PAHTYBFDNHQLLF-UKPHBRMFSA-N 1 0 354.472 2.941 20 5 FFBDRO CC[NH+](CC)CCCC1CCN(C(=O)c2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000180757091 510093644 /nfs/dbraw/zinc/09/36/44/510093644.db2.gz SYSUZKABTUSPQM-UHFFFAOYSA-N 1 0 365.478 2.611 20 5 FFBDRO CC[C@H]([NH2+]CCCN1CCC[C@H]1C(=O)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000268857831 510104307 /nfs/dbraw/zinc/10/43/07/510104307.db2.gz QWEWMYGCHQCPPJ-ROUUACIJSA-N 1 0 362.474 2.578 20 5 FFBDRO [NH3+][C@H]1CCc2nc(NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3)sc2C1 ZINC000261960737 510128572 /nfs/dbraw/zinc/12/85/72/510128572.db2.gz XRQCVRCWANCBJT-VIFPVBQESA-N 1 0 352.803 2.773 20 5 FFBDRO C[C@@H](NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)[C@@H](c1ccccc1)[NH+](C)C ZINC000187220182 510131333 /nfs/dbraw/zinc/13/13/33/510131333.db2.gz ZDGZOABKHBGRNU-PXAZEXFGSA-N 1 0 371.393 2.745 20 5 FFBDRO C[N@H+](CCCNS(=O)(=O)Cc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000184177150 510176267 /nfs/dbraw/zinc/17/62/67/510176267.db2.gz DPRNJAVHLQNCNQ-UHFFFAOYSA-N 1 0 369.487 2.669 20 5 FFBDRO COc1ccccc1[C@H]1C[NH2+]CCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000262112383 510180487 /nfs/dbraw/zinc/18/04/87/510180487.db2.gz AZCRSGGODNOXFX-GOSISDBHSA-N 1 0 357.410 2.629 20 5 FFBDRO CC[N@H+](C)[C@H](C(=O)NCc1cc([N+](=O)[O-])ccc1OC)c1ccccc1 ZINC000171479079 510186530 /nfs/dbraw/zinc/18/65/30/510186530.db2.gz CKTJNJVFJDFSFV-SFHVURJKSA-N 1 0 357.410 2.913 20 5 FFBDRO Cc1ccsc1[C@H](C)[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000180942923 510198632 /nfs/dbraw/zinc/19/86/32/510198632.db2.gz ZZDLOYGPISOJQB-LBPRGKRZSA-N 1 0 369.468 2.594 20 5 FFBDRO Cn1cc(C[N@H+](C)C[C@H]2CCCC[C@H]2O)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000245920053 510207500 /nfs/dbraw/zinc/20/75/00/510207500.db2.gz GWYQKHAXGFFSRA-CRAIPNDOSA-N 1 0 358.442 2.978 20 5 FFBDRO CC(C)(C)[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(F)c1 ZINC000181073993 510268078 /nfs/dbraw/zinc/26/80/78/510268078.db2.gz XHDIPAINRPSTAC-HZPDHXFCSA-N 1 0 350.394 2.668 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@@H]2c2ccc(Cl)cc2)c1 ZINC000174721330 510269192 /nfs/dbraw/zinc/26/91/92/510269192.db2.gz MVZOVJDKHONBLT-JKSUJKDBSA-N 1 0 350.806 2.643 20 5 FFBDRO CCOc1ccc(C(=O)N(CCC[NH3+])Cc2ccccc2)cc1[N+](=O)[O-] ZINC000262429531 510276736 /nfs/dbraw/zinc/27/67/36/510276736.db2.gz DPUGSNSEXXYZAY-UHFFFAOYSA-N 1 0 357.410 2.985 20 5 FFBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NC[C@H]3CCC[NH2+]C3)cc2[N+](=O)[O-])C1 ZINC000262520495 510308440 /nfs/dbraw/zinc/30/84/40/510308440.db2.gz YGVPQRASJVLPFX-OAGGEKHMSA-N 1 0 374.485 2.807 20 5 FFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000265936017 510311904 /nfs/dbraw/zinc/31/19/04/510311904.db2.gz BBJIKOPQAOZQKQ-ZDUSSCGKSA-N 1 0 351.834 2.735 20 5 FFBDRO Cc1c(NC(=O)CCN2CCC[C@@H]2C[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000171708309 510323331 /nfs/dbraw/zinc/32/33/31/510323331.db2.gz GXAMVTZEIWTCDE-MRXNPFEDSA-N 1 0 360.458 2.792 20 5 FFBDRO CC(C)OC(=O)C[C@@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000184453399 510331422 /nfs/dbraw/zinc/33/14/22/510331422.db2.gz LOFKRJIEKNSBLV-YOEHRIQHSA-N 1 0 350.415 2.682 20 5 FFBDRO CC(C)c1[nH]nc(C(=O)Nc2ccc(OCC[NH+](C)C)cc2)c1[N+](=O)[O-] ZINC000269310871 510335764 /nfs/dbraw/zinc/33/57/64/510335764.db2.gz ACGXGNYELXZQJQ-UHFFFAOYSA-N 1 0 361.402 2.634 20 5 FFBDRO COC[C@@H]([NH2+]CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1ccco1 ZINC000184549820 510382140 /nfs/dbraw/zinc/38/21/40/510382140.db2.gz FQGYAOAYDBBFGT-CQSZACIVSA-N 1 0 363.370 2.502 20 5 FFBDRO Cc1ccc(C(=O)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)cn2)cc1[N+](=O)[O-] ZINC000269415727 510394174 /nfs/dbraw/zinc/39/41/74/510394174.db2.gz IYCLKUMPCIJATJ-MRXNPFEDSA-N 1 0 369.425 2.691 20 5 FFBDRO CC(C)c1n[nH]c(C(=O)N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000269453550 510414505 /nfs/dbraw/zinc/41/45/05/510414505.db2.gz GPTPDBXYTJCBLT-ZFWWWQNUSA-N 1 0 371.441 2.834 20 5 FFBDRO CCOC(=O)[C@@H](C)[C@H](C)[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000190957723 510433768 /nfs/dbraw/zinc/43/37/68/510433768.db2.gz GLDKJWRWJLRQJJ-STQMWFEESA-N 1 0 360.414 2.673 20 5 FFBDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000175017726 510439531 /nfs/dbraw/zinc/43/95/31/510439531.db2.gz INPLEWFYGKULQB-UKRRQHHQSA-N 1 0 351.834 2.876 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N[C@@H]3CC[NH2+][C@H](C)C3)cc2[N+](=O)[O-])CC1 ZINC000262900606 510466623 /nfs/dbraw/zinc/46/66/23/510466623.db2.gz PPIUAJHBZRSQQW-GDBMZVCRSA-N 1 0 360.458 2.701 20 5 FFBDRO Nc1c(C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)cccc1[N+](=O)[O-] ZINC000178171456 510471845 /nfs/dbraw/zinc/47/18/45/510471845.db2.gz OGHXUYULCQUMNK-UHFFFAOYSA-N 1 0 372.400 2.711 20 5 FFBDRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000266298927 510504876 /nfs/dbraw/zinc/50/48/76/510504876.db2.gz KNZKPXSRJATNRI-PWSUYJOCSA-N 1 0 357.332 2.922 20 5 FFBDRO O=[N+]([O-])c1cnn(Cc2nc(-c3cccc(C[NH+]4CCCCC4)c3)no2)c1 ZINC000172051131 510516849 /nfs/dbraw/zinc/51/68/49/510516849.db2.gz SAFATJNOUJRLPB-UHFFFAOYSA-N 1 0 368.397 2.876 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000194765188 510517638 /nfs/dbraw/zinc/51/76/38/510517638.db2.gz CYKRBRSLSKJDKL-UHFFFAOYSA-N 1 0 374.485 2.583 20 5 FFBDRO C[C@@H]1CC[C@@](CO)([N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000188009190 510546717 /nfs/dbraw/zinc/54/67/17/510546717.db2.gz QUNZQBPLYFRETG-BDJLRTHQSA-N 1 0 355.822 2.670 20 5 FFBDRO CCC[C@]1(COC)CCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000194927190 510594883 /nfs/dbraw/zinc/59/48/83/510594883.db2.gz PWACOEKXJVXMIV-MAUKXSAKSA-N 1 0 352.431 2.616 20 5 FFBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@H](CO)C[C@H](O)c2ccccc2)c1 ZINC000269960799 510620523 /nfs/dbraw/zinc/62/05/23/510620523.db2.gz UZJANGFSGKGIRQ-YOEHRIQHSA-N 1 0 350.802 2.822 20 5 FFBDRO Cc1cc(C(=O)NC2CC[NH+](Cc3cccnc3)CC2)ccc1[N+](=O)[O-] ZINC000172242810 510620557 /nfs/dbraw/zinc/62/05/57/510620557.db2.gz JAGVTVOARAYHTC-UHFFFAOYSA-N 1 0 354.410 2.693 20 5 FFBDRO Cc1ccc([C@H](C)NC(=O)[C@H]([NH2+]C2CCOCC2)C(C)C)cc1[N+](=O)[O-] ZINC000175458069 510654576 /nfs/dbraw/zinc/65/45/76/510654576.db2.gz MJGZPDPWYPVFNP-KBXCAEBGSA-N 1 0 363.458 2.874 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000270191625 510710215 /nfs/dbraw/zinc/71/02/15/510710215.db2.gz YQBFMMIHSGRHLH-CQSZACIVSA-N 1 0 362.430 2.799 20 5 FFBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000191631162 510760297 /nfs/dbraw/zinc/76/02/97/510760297.db2.gz KUDNIARICWDJDE-HNNXBMFYSA-N 1 0 371.441 2.548 20 5 FFBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H](CN2CCOCC2)c2ccccc2)cc1 ZINC000182115875 510765941 /nfs/dbraw/zinc/76/59/41/510765941.db2.gz MRBLVUBLHMMUCM-FQEVSTJZSA-N 1 0 371.437 2.637 20 5 FFBDRO CC(C)C[C@@]1(CO)CCC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000191640029 510766490 /nfs/dbraw/zinc/76/64/90/510766490.db2.gz IJXXDFIIHACXOU-GOSISDBHSA-N 1 0 350.415 2.834 20 5 FFBDRO COC(=O)[C@@H]1CCCC[C@]1(C)[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000270366334 510780595 /nfs/dbraw/zinc/78/05/95/510780595.db2.gz AOXGEDLMVXBRAQ-KSSFIOAISA-N 1 0 374.397 2.856 20 5 FFBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000246985603 510783307 /nfs/dbraw/zinc/78/33/07/510783307.db2.gz WCDXYMFMJJEDRK-RKVPGOIHSA-N 1 0 372.469 2.871 20 5 FFBDRO COC(=O)C[C@H]1CN(Cc2cc(=O)oc3ccc4ccccc4c23)CCO1 ZINC000178812554 510786051 /nfs/dbraw/zinc/78/60/51/510786051.db2.gz GUVYZFWBBDBNHN-INIZCTEOSA-N 1 0 367.401 2.710 20 5 FFBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000195342088 510794351 /nfs/dbraw/zinc/79/43/51/510794351.db2.gz INDIITBBNSEIKY-UHFFFAOYSA-N 1 0 361.421 2.971 20 5 FFBDRO C[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000182177055 510796455 /nfs/dbraw/zinc/79/64/55/510796455.db2.gz CXSCMZHJZZCMHP-AAEUAGOBSA-N 1 0 352.337 2.964 20 5 FFBDRO C[C@@H]([NH3+])C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000178836388 510797840 /nfs/dbraw/zinc/79/78/40/510797840.db2.gz JCJYZPMKPWNYSY-SECBINFHSA-N 1 0 356.220 2.557 20 5 FFBDRO Nc1c(C(=O)NCc2ccccc2C[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000175803951 510798858 /nfs/dbraw/zinc/79/88/58/510798858.db2.gz KWRVOVHBNWHYJV-UHFFFAOYSA-N 1 0 354.410 2.703 20 5 FFBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC(C)(C)CC[NH+]2CCCCCC2)n1 ZINC000191716487 510800123 /nfs/dbraw/zinc/80/01/23/510800123.db2.gz BKVCHSDATOFUTH-UHFFFAOYSA-N 1 0 351.451 2.586 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000182206539 510814417 /nfs/dbraw/zinc/81/44/17/510814417.db2.gz KKHSEBDEYDQSSC-ROUUACIJSA-N 1 0 371.437 2.911 20 5 FFBDRO CCOCCC[N@@H+]1CC[C@@H](NCc2cc([N+](=O)[O-])ccc2OC)[C@@H](C)C1 ZINC000247078828 510828126 /nfs/dbraw/zinc/82/81/26/510828126.db2.gz QSLYPOMPHPUGCX-MAUKXSAKSA-N 1 0 365.474 2.830 20 5 FFBDRO Cn1cc([C@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)c2ccc(F)cc2)cn1 ZINC000185438179 510844712 /nfs/dbraw/zinc/84/47/12/510844712.db2.gz BXFMAUQKPICBRI-RBUKOAKNSA-N 1 0 370.384 2.880 20 5 FFBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000247167336 510847927 /nfs/dbraw/zinc/84/79/27/510847927.db2.gz AQQSGDRHZLQPAI-GXFFZTMASA-N 1 0 370.247 2.770 20 5 FFBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000182307822 510848175 /nfs/dbraw/zinc/84/81/75/510848175.db2.gz DMONUKUDFJGHBS-WDEREUQCSA-N 1 0 357.357 2.799 20 5 FFBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000247182371 510849342 /nfs/dbraw/zinc/84/93/42/510849342.db2.gz BEMANMQPGXHJIF-IINYFYTJSA-N 1 0 370.247 2.770 20 5 FFBDRO COc1cc(CN2C[C@@H]3CCC[N@@H+]3C[C@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000247220607 510852807 /nfs/dbraw/zinc/85/28/07/510852807.db2.gz MHGPJHSWEVKVNP-YPMHNXCESA-N 1 0 371.384 2.873 20 5 FFBDRO C[N@@H+]1CC[C@@H](NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)[C@H]1c1ccccc1 ZINC000270607715 510922706 /nfs/dbraw/zinc/92/27/06/510922706.db2.gz DWFFNIBEBHYFFG-VQIMIIECSA-N 1 0 373.384 2.674 20 5 FFBDRO CC(=O)c1cccc(OC[C@@H](O)C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000282341357 510938451 /nfs/dbraw/zinc/93/84/51/510938451.db2.gz BWNDEVRHRYYSPQ-IBGZPJMESA-N 1 0 372.421 2.712 20 5 FFBDRO CCOCCC[N@@H+]1CC[C@H](NCc2ccc([N+](=O)[O-])c(F)c2)[C@H](C)C1 ZINC000282478868 510993325 /nfs/dbraw/zinc/99/33/25/510993325.db2.gz LMFNXSRCCSLQGD-PBHICJAKSA-N 1 0 353.438 2.961 20 5 FFBDRO CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000285664527 511001679 /nfs/dbraw/zinc/00/16/79/511001679.db2.gz MLZRLZNEYKSWQV-PHSGOXPASA-N 1 0 374.485 2.719 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)[C@@H](C)C1 ZINC000279388533 511065829 /nfs/dbraw/zinc/06/58/29/511065829.db2.gz IOUVZFKQKOMXMU-WFASDCNBSA-N 1 0 366.437 2.602 20 5 FFBDRO COc1cc(C(=O)N(CC[NH+](C)C)Cc2ccco2)c([N+](=O)[O-])cc1F ZINC000297801647 511072716 /nfs/dbraw/zinc/07/27/16/511072716.db2.gz ROEAPNJJHWMZFR-UHFFFAOYSA-N 1 0 365.361 2.540 20 5 FFBDRO COc1cc(NCC2([NH+]3CCCC3)CCOCC2)c(F)cc1[N+](=O)[O-] ZINC000271067487 511073702 /nfs/dbraw/zinc/07/37/02/511073702.db2.gz CYWQWDNSAHBTLR-UHFFFAOYSA-N 1 0 353.394 2.799 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H]1CCC2(CCOCC2)[C@@H]1O ZINC000282887919 511149677 /nfs/dbraw/zinc/14/96/77/511149677.db2.gz SMSHSCMTGMQRHH-RDTXWAMCSA-N 1 0 364.442 2.651 20 5 FFBDRO COc1cc(C[NH2+]CCN2CC=CCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000279657389 511165153 /nfs/dbraw/zinc/16/51/53/511165153.db2.gz FVRSYKVDTWHGSP-UHFFFAOYSA-N 1 0 371.384 2.599 20 5 FFBDRO COc1ccc(NC(=O)CC[N@@H+]2CCn3cccc3[C@@H]2C)c([N+](=O)[O-])c1 ZINC000298086184 511170149 /nfs/dbraw/zinc/17/01/49/511170149.db2.gz KPSXRUAZJDXQHF-ZDUSSCGKSA-N 1 0 358.398 2.810 20 5 FFBDRO Cc1nc(-c2cccc(NC(=O)c3cc([N+](=O)[O-])cnc3N)c2)[nH]c1C ZINC000364966354 511180720 /nfs/dbraw/zinc/18/07/20/511180720.db2.gz AWJFMOVGAWQWIX-UHFFFAOYSA-N 1 0 352.354 2.831 20 5 FFBDRO COCCCN(C(=O)c1cc([N+](=O)[O-])c(C)s1)C1CC[NH+](C)CC1 ZINC000291437574 511197684 /nfs/dbraw/zinc/19/76/84/511197684.db2.gz MNCKCOKJCHXQOB-UHFFFAOYSA-N 1 0 355.460 2.538 20 5 FFBDRO CC(=O)c1ccc(OC[C@@H](O)C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000294946036 511230625 /nfs/dbraw/zinc/23/06/25/511230625.db2.gz AHAOLLOBCBJHDK-UGSOOPFHSA-N 1 0 358.394 2.888 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1SC ZINC000362958216 511279319 /nfs/dbraw/zinc/27/93/19/511279319.db2.gz PDPLYUNKRPDHQR-NWDGAFQWSA-N 1 0 365.455 2.682 20 5 FFBDRO COC(=O)[C@@H]1CCO[C@H]1C1CCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000298429360 511281320 /nfs/dbraw/zinc/28/13/20/511281320.db2.gz YGYNOMOQNQAWIA-WBVHZDCISA-N 1 0 366.389 2.524 20 5 FFBDRO COc1ccc([C@H](CO)[N@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000283224163 511284733 /nfs/dbraw/zinc/28/47/33/511284733.db2.gz IDHKAZLUZNHRIA-SFHVURJKSA-N 1 0 373.409 2.597 20 5 FFBDRO COc1ccccc1COC[C@H](O)C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000271727453 511302036 /nfs/dbraw/zinc/30/20/36/511302036.db2.gz MIEPPAYUKWBYEN-GDBMZVCRSA-N 1 0 360.410 2.832 20 5 FFBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccc(CN(C)C)c(Cl)c1 ZINC000280010374 511303030 /nfs/dbraw/zinc/30/30/30/511303030.db2.gz LTQROVLWROUWRX-UHFFFAOYSA-N 1 0 365.821 2.844 20 5 FFBDRO COc1cc(C(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)c([N+](=O)[O-])cc1F ZINC000295163294 511305642 /nfs/dbraw/zinc/30/56/42/511305642.db2.gz DJHGTIXOMRRASZ-ZDUSSCGKSA-N 1 0 367.421 2.840 20 5 FFBDRO C[C@@H]1CN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000295283127 511347486 /nfs/dbraw/zinc/34/74/86/511347486.db2.gz HXJQAJWEVLXRAU-NSHDSACASA-N 1 0 369.824 2.873 20 5 FFBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000363097938 511352757 /nfs/dbraw/zinc/35/27/57/511352757.db2.gz RUKYGYOJSYWCCH-HZPDHXFCSA-N 1 0 358.442 2.552 20 5 FFBDRO COC(=O)C1CC[NH+](CCCNc2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000298657270 511364680 /nfs/dbraw/zinc/36/46/80/511364680.db2.gz CXEYMWUCRRYNKH-UHFFFAOYSA-N 1 0 372.425 2.830 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@](C)(OC)CC1 ZINC000280250679 511391569 /nfs/dbraw/zinc/39/15/69/511391569.db2.gz BMGCQFQEQHZNGD-UGSOOPFHSA-N 1 0 365.430 2.821 20 5 FFBDRO CC1(C)CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@H]1c1cccnc1 ZINC000291945517 511401539 /nfs/dbraw/zinc/40/15/39/511401539.db2.gz PYUVLBSXAIHDND-AEFFLSMTSA-N 1 0 357.410 2.813 20 5 FFBDRO COC(=O)CC1([NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCCC1 ZINC000280283143 511405982 /nfs/dbraw/zinc/40/59/82/511405982.db2.gz DTMSJIFMCHYEHN-UHFFFAOYSA-N 1 0 367.377 2.528 20 5 FFBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@H]([NH+]2CCCC2)C1 ZINC000365378767 511414225 /nfs/dbraw/zinc/41/42/25/511414225.db2.gz SOVBUURBIMMPSI-AWEZNQCLSA-N 1 0 367.833 2.714 20 5 FFBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000272258737 511482826 /nfs/dbraw/zinc/48/28/26/511482826.db2.gz MMANXTPZYACIRC-CABCVRRESA-N 1 0 360.458 2.785 20 5 FFBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2N2CCOC2=O)CC[N@@H+](C2CCC2)C1 ZINC000292173566 511493017 /nfs/dbraw/zinc/49/30/17/511493017.db2.gz DXBCGQDBIFSGNG-AWEZNQCLSA-N 1 0 374.441 2.862 20 5 FFBDRO COc1cc(C(=O)NCC(C)(C)C[NH+]2CCCC2)c([N+](=O)[O-])cc1F ZINC000295716280 511493431 /nfs/dbraw/zinc/49/34/31/511493431.db2.gz NQHTVFXONXIQCY-UHFFFAOYSA-N 1 0 353.394 2.594 20 5 FFBDRO COc1cc(C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)c([N+](=O)[O-])cc1F ZINC000295743577 511501386 /nfs/dbraw/zinc/50/13/86/511501386.db2.gz GLWIFTXWJWFARA-CYBMUJFWSA-N 1 0 365.405 2.833 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])c(N2CC[C@@]3(CC[N@H+](C)C3)C2)cc1Cl ZINC000292209116 511506235 /nfs/dbraw/zinc/50/62/35/511506235.db2.gz HERMXQVOUBPJDV-MRXNPFEDSA-N 1 0 353.806 2.567 20 5 FFBDRO CCC(=O)c1ccc(NC[C@@H](C)CN2CC[NH+](CC)CC2)c([N+](=O)[O-])c1 ZINC000280631915 511540432 /nfs/dbraw/zinc/54/04/32/511540432.db2.gz CKHYYJQEFACTQR-OAHLLOKOSA-N 1 0 362.474 2.873 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H](c2nccn2C)C1 ZINC000365633339 511570956 /nfs/dbraw/zinc/57/09/56/511570956.db2.gz VHESNDUSEWTSCE-HNNXBMFYSA-N 1 0 371.441 2.845 20 5 FFBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000292404054 511585141 /nfs/dbraw/zinc/58/51/41/511585141.db2.gz TZXFJGRHCBTETJ-HUUCEWRRSA-N 1 0 360.458 2.728 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])cn1)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000365738130 511629703 /nfs/dbraw/zinc/62/97/03/511629703.db2.gz GSIQZPFMMMFERD-IAGOWNOFSA-N 1 0 366.421 2.584 20 5 FFBDRO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](Cc3cnn(C)c3)C2)cccc1[N+](=O)[O-] ZINC000363561412 511629993 /nfs/dbraw/zinc/62/99/93/511629993.db2.gz YZDUZENNIFBOLH-GJZGRUSLSA-N 1 0 371.441 2.528 20 5 FFBDRO CN1CCO[C@@H]2CCN(Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)C[C@H]21 ZINC000284208946 511642236 /nfs/dbraw/zinc/64/22/36/511642236.db2.gz CCHXBFMBVMFXRP-IAGOWNOFSA-N 1 0 374.466 2.623 20 5 FFBDRO Cc1n[nH]c(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c1[N+](=O)[O-] ZINC000299456461 511643231 /nfs/dbraw/zinc/64/32/31/511643231.db2.gz WAUJPFONESHOCE-UHFFFAOYSA-N 1 0 357.414 2.542 20 5 FFBDRO Cn1c(CC[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)nc2ccccc21 ZINC000365818873 511667720 /nfs/dbraw/zinc/66/77/20/511667720.db2.gz HLSOUWPKWPULSM-UHFFFAOYSA-N 1 0 354.414 2.558 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H](c2ccc(F)cc2)[NH+](C)C)n1 ZINC000281020522 511691274 /nfs/dbraw/zinc/69/12/74/511691274.db2.gz SDEXWAHUHWRPMK-OAHLLOKOSA-N 1 0 362.361 2.630 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)NC2(C[NH+](C)C)CCC2)cc1SC ZINC000281039204 511698191 /nfs/dbraw/zinc/69/81/91/511698191.db2.gz IUAMCSKSFZWBQF-UHFFFAOYSA-N 1 0 353.444 2.539 20 5 FFBDRO COc1cc(CN2CCC[C@H](O)[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000296402811 511729727 /nfs/dbraw/zinc/72/97/27/511729727.db2.gz UWDSOQCCWLTOCI-GWCFXTLKSA-N 1 0 360.357 2.593 20 5 FFBDRO C[NH+](C)CCCC1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 ZINC000284479525 511740863 /nfs/dbraw/zinc/74/08/63/511740863.db2.gz SZIZNLACYJLUQV-UHFFFAOYSA-N 1 0 352.410 2.510 20 5 FFBDRO CC1(C)[C@H]([NH2+]CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]2CCO[C@@H]21 ZINC000296489520 511764815 /nfs/dbraw/zinc/76/48/15/511764815.db2.gz YTAMZCBXMWCUBY-VQISRLSMSA-N 1 0 353.806 2.590 20 5 FFBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1N)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000313072431 511787499 /nfs/dbraw/zinc/78/74/99/511787499.db2.gz VPYPMRJWGUBJNJ-GOEBONIOSA-N 1 0 368.437 2.817 20 5 FFBDRO COc1ccc(-c2nc([C@H]3C[N@@H+]4CCC[C@]4(C)CO3)no2)cc1[N+](=O)[O-] ZINC000350359813 511791045 /nfs/dbraw/zinc/79/10/45/511791045.db2.gz SIMZFLJNYZPBRN-RHSMWYFYSA-N 1 0 360.370 2.579 20 5 FFBDRO NC(=O)c1cccc(C[N@H+](CCOc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000296634299 511830825 /nfs/dbraw/zinc/83/08/25/511830825.db2.gz HXJAIUAXDOFYRZ-UHFFFAOYSA-N 1 0 355.394 2.737 20 5 FFBDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)NCCCCc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000293094081 511837840 /nfs/dbraw/zinc/83/78/40/511837840.db2.gz TUNDGJSFLXEOEG-LJQANCHMSA-N 1 0 360.458 2.655 20 5 FFBDRO C[C@H]([NH2+]C[C@@](C)(O)CNC(=O)OC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000296688152 511855153 /nfs/dbraw/zinc/85/51/53/511855153.db2.gz JIHYLCQJYGDRHJ-YVEFUNNKSA-N 1 0 353.419 2.521 20 5 FFBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000363937942 511861960 /nfs/dbraw/zinc/86/19/60/511861960.db2.gz MBFDZUJDXOUODW-CVEARBPZSA-N 1 0 372.469 2.942 20 5 FFBDRO C[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC000296718753 511867857 /nfs/dbraw/zinc/86/78/57/511867857.db2.gz MUFVOGTUQTVFKN-WFASDCNBSA-N 1 0 361.354 2.594 20 5 FFBDRO [NH3+][C@H]1CCCC[C@@H]1CC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000296751057 511882308 /nfs/dbraw/zinc/88/23/08/511882308.db2.gz KJQIVNVNRSXHHT-KDOFPFPSSA-N 1 0 361.442 2.872 20 5 FFBDRO COCCOCCOCCC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000274665337 511904167 /nfs/dbraw/zinc/90/41/67/511904167.db2.gz OBNRPQYDJGGCTL-GOSISDBHSA-N 1 0 366.458 2.575 20 5 FFBDRO C[C@H](NCC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC000274667535 511905267 /nfs/dbraw/zinc/90/52/67/511905267.db2.gz RPADCHPPUMGIPO-KXBFYZLASA-N 1 0 370.453 2.665 20 5 FFBDRO O=[N+]([O-])c1cc(-c2nc(-c3ccn4c[nH+]cc4c3)no2)cc2c1OCO2 ZINC000351047876 511939840 /nfs/dbraw/zinc/93/98/40/511939840.db2.gz NAOOIZNSIUYKTJ-UHFFFAOYSA-N 1 0 351.278 2.688 20 5 FFBDRO CCc1nocc1C[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000293369358 511939814 /nfs/dbraw/zinc/93/98/14/511939814.db2.gz JCIWKEDHPIELRU-UHFFFAOYSA-N 1 0 350.350 2.745 20 5 FFBDRO Cc1ccc([C@H](C)[NH2+]Cc2cccc(N3CCOCC3)n2)cc1[N+](=O)[O-] ZINC000274787981 511942618 /nfs/dbraw/zinc/94/26/18/511942618.db2.gz MRLMWXMMRHMGBZ-HNNXBMFYSA-N 1 0 356.426 2.986 20 5 FFBDRO COc1ccc(NC(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000296904783 511944567 /nfs/dbraw/zinc/94/45/67/511944567.db2.gz SGYYRQWJRKMPFV-ZDUSSCGKSA-N 1 0 362.430 2.942 20 5 FFBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000293517170 511993877 /nfs/dbraw/zinc/99/38/77/511993877.db2.gz UBMFSWSWXVYBHT-CRAIPNDOSA-N 1 0 372.469 2.655 20 5 FFBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000297034232 511995373 /nfs/dbraw/zinc/99/53/73/511995373.db2.gz KUWLPLWKBZDKCL-UHFFFAOYSA-N 1 0 360.458 2.796 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[N@@H+](C(C)C)CC1 ZINC000282067514 512064472 /nfs/dbraw/zinc/06/44/72/512064472.db2.gz WMKMCLUIVADBCN-UHFFFAOYSA-N 1 0 350.419 2.942 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC[C@H](C[NH+]3CCOCC3)C2)c2ccncc21 ZINC000282151257 512089639 /nfs/dbraw/zinc/08/96/39/512089639.db2.gz BXHLEGUBBUSIIS-OAHLLOKOSA-N 1 0 356.426 2.692 20 5 FFBDRO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000369556222 512477013 /nfs/dbraw/zinc/47/70/13/512477013.db2.gz KCAXEJVISHCLRE-CRAIPNDOSA-N 1 0 352.394 2.746 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1CCC(Cc2cccnc2)CC1 ZINC000371688309 512527866 /nfs/dbraw/zinc/52/78/66/512527866.db2.gz FVELRWKZJNRVQG-GOSISDBHSA-N 1 0 371.437 2.684 20 5 FFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[NH+](C2CCOCC2)CC1 ZINC000371822943 512589227 /nfs/dbraw/zinc/58/92/27/512589227.db2.gz ADUGKMUEKBBYTA-UHFFFAOYSA-N 1 0 363.458 2.679 20 5 FFBDRO O=C(c1cc2ccccc2c2cccnc12)N1CCN([C@@H]2CCOC2)CC1 ZINC000378111557 512595800 /nfs/dbraw/zinc/59/58/00/512595800.db2.gz DYTRXPWCQBKNOX-QGZVFWFLSA-N 1 0 361.445 2.935 20 5 FFBDRO Cc1c(NC(=O)CC[NH+]2CCC(c3c[nH]cn3)CC2)cccc1[N+](=O)[O-] ZINC000374200861 512705800 /nfs/dbraw/zinc/70/58/00/512705800.db2.gz SBQGBDPPDRBMKE-UHFFFAOYSA-N 1 0 357.414 2.835 20 5 FFBDRO Cn1cc([C@H](O)C[C@H]2CCC[N@@H+]2C/C=C/c2ccccc2[N+](=O)[O-])cn1 ZINC000374258060 512733266 /nfs/dbraw/zinc/73/32/66/512733266.db2.gz ULOBHHVIHUHGCP-JNTLCICBSA-N 1 0 356.426 2.930 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000372164078 512740588 /nfs/dbraw/zinc/74/05/88/512740588.db2.gz JVGIVFXIAFLDNX-HFBAOOFYSA-N 1 0 367.833 2.572 20 5 FFBDRO CCOC(=O)C1(COC)CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000370166119 512798689 /nfs/dbraw/zinc/79/86/89/512798689.db2.gz XPPYRSOYKMDHFB-UHFFFAOYSA-N 1 0 354.378 2.526 20 5 FFBDRO COc1ccc(NC(=O)CC[N@H+](C)[C@@H](CO)CC(C)(C)C)c([N+](=O)[O-])c1 ZINC000411784744 512810250 /nfs/dbraw/zinc/81/02/50/512810250.db2.gz AJXLOKZSAOWGCQ-CYBMUJFWSA-N 1 0 367.446 2.661 20 5 FFBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N[C@H]2CC23CC[NH2+]CC3)CC1 ZINC000368154196 512823796 /nfs/dbraw/zinc/82/37/96/512823796.db2.gz MCGZMQORHWLHJA-SFHVURJKSA-N 1 0 372.469 2.703 20 5 FFBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@]3(CCOC3)C2)cc1[N+](=O)[O-] ZINC000374525497 512873426 /nfs/dbraw/zinc/87/34/26/512873426.db2.gz CDNHYLFEAWUQDE-JCKWVBRZSA-N 1 0 350.415 2.982 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+]C1(CO)C2CC3CC(C2)CC1C3 ZINC000412003026 512908728 /nfs/dbraw/zinc/90/87/28/512908728.db2.gz OCNVLNSHOMIRPE-UHFFFAOYSA-N 1 0 373.453 2.619 20 5 FFBDRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000368362101 512913911 /nfs/dbraw/zinc/91/39/11/512913911.db2.gz NQNBMVDMZSMUFT-QLPKVWCKSA-N 1 0 355.419 2.694 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3C[C@@H]4CC[C@H](O)C[C@@H]4C3)o2)c1 ZINC000412051298 512932833 /nfs/dbraw/zinc/93/28/33/512932833.db2.gz WGYXRCQMSXUIHN-UXLLHSPISA-N 1 0 357.410 2.885 20 5 FFBDRO Cc1cc(NCC2(O)CC[NH+](Cc3ccccc3)CC2)ncc1[N+](=O)[O-] ZINC000397623122 512947823 /nfs/dbraw/zinc/94/78/23/512947823.db2.gz WXHDQBGFLHEKRU-UHFFFAOYSA-N 1 0 356.426 2.737 20 5 FFBDRO COc1ccc(C(=O)N2C[C@H](C[NH+](C)C)Oc3ccccc32)cc1[N+](=O)[O-] ZINC000370503341 512966957 /nfs/dbraw/zinc/96/69/57/512966957.db2.gz RIWSKASHQJYWNQ-AWEZNQCLSA-N 1 0 371.393 2.573 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])cn1)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000368602574 513021345 /nfs/dbraw/zinc/02/13/45/513021345.db2.gz KCCKKCXWPMYAQS-HXUWFJFHSA-N 1 0 366.421 2.728 20 5 FFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000374865747 513045365 /nfs/dbraw/zinc/04/53/65/513045365.db2.gz SMBUCWNPFOYTFH-RHSMWYFYSA-N 1 0 368.437 2.939 20 5 FFBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)[C@H]2C1 ZINC000374918558 513072459 /nfs/dbraw/zinc/07/24/59/513072459.db2.gz SJQHOKSZOQACML-WBMJQRKESA-N 1 0 372.450 2.885 20 5 FFBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000445882842 513138012 /nfs/dbraw/zinc/13/80/12/513138012.db2.gz ARCLBQHASRDIHD-GJZGRUSLSA-N 1 0 360.458 2.783 20 5 FFBDRO C[C@H](CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000445887808 513139004 /nfs/dbraw/zinc/13/90/04/513139004.db2.gz UTXNTDQZZXHQOK-HUUCEWRRSA-N 1 0 360.458 2.783 20 5 FFBDRO Cc1cc(C[NH3+])cc(NC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000424448143 513150756 /nfs/dbraw/zinc/15/07/56/513150756.db2.gz XHYNVWICHLJIFZ-UHFFFAOYSA-N 1 0 369.425 2.716 20 5 FFBDRO C[NH+](C)[C@]1(CNc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CCSC1 ZINC000450362559 513158589 /nfs/dbraw/zinc/15/85/89/513158589.db2.gz GQZDICZFTRKAPP-INIZCTEOSA-N 1 0 364.496 2.989 20 5 FFBDRO CC[C@H](CO)[NH+]1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CC1 ZINC000450364616 513159952 /nfs/dbraw/zinc/15/99/52/513159952.db2.gz YXQOOYLSQTVBSV-CQSZACIVSA-N 1 0 362.455 2.611 20 5 FFBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000417710157 513174870 /nfs/dbraw/zinc/17/48/70/513174870.db2.gz CVAXFXVANSDGGC-GOSISDBHSA-N 1 0 374.485 2.949 20 5 FFBDRO Cc1nc(NCC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000450401271 513178259 /nfs/dbraw/zinc/17/82/59/513178259.db2.gz HXUZEFSPXKPWHD-WMLDXEAASA-N 1 0 355.442 2.828 20 5 FFBDRO CS[C@@H]1CN(C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000446223667 513212286 /nfs/dbraw/zinc/21/22/86/513212286.db2.gz AFYWAMWAUSNYDS-QWHCGFSZSA-N 1 0 357.863 2.674 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N3CC[C@@H]([NH3+])[C@@H](C)C3)cc2[N+](=O)[O-])C1 ZINC000429151760 513292686 /nfs/dbraw/zinc/29/26/86/513292686.db2.gz UDIUNHCPDWCYEL-IJEWVQPXSA-N 1 0 360.458 2.640 20 5 FFBDRO CC(C)([NH2+]CCc1nnnn1-c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000429257643 513318203 /nfs/dbraw/zinc/31/82/03/513318203.db2.gz SUYFBOPMSSFIEB-UHFFFAOYSA-N 1 0 352.398 2.638 20 5 FFBDRO CCCN(C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000418003270 513329137 /nfs/dbraw/zinc/32/91/37/513329137.db2.gz ZQSLKIFQVQBOCR-CQSZACIVSA-N 1 0 354.838 2.574 20 5 FFBDRO C[NH2+]C[C@@H]1CCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)C1 ZINC000415653149 513363456 /nfs/dbraw/zinc/36/34/56/513363456.db2.gz HYNNYBSAQZBDIG-JTQLQIEISA-N 1 0 371.235 2.739 20 5 FFBDRO Cc1c(NC(=O)N2CCC([NH3+])CC2)cc(Br)cc1[N+](=O)[O-] ZINC000415661713 513367451 /nfs/dbraw/zinc/36/74/51/513367451.db2.gz QPKOZGXMJFZYEV-UHFFFAOYSA-N 1 0 357.208 2.621 20 5 FFBDRO O=C(CCN1CCOc2c(F)cccc2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000434622383 513370682 /nfs/dbraw/zinc/37/06/82/513370682.db2.gz DHFIJHIGIDUCTP-UHFFFAOYSA-N 1 0 359.357 2.957 20 5 FFBDRO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000415687126 513381092 /nfs/dbraw/zinc/38/10/92/513381092.db2.gz ATLZNGWLGUAQRI-TVQRCGJNSA-N 1 0 369.219 2.573 20 5 FFBDRO C[C@@H]1CCCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)[C@H]1C[NH3+] ZINC000415700557 513387979 /nfs/dbraw/zinc/38/79/79/513387979.db2.gz MSSGMSJWASELQC-RNCFNFMXSA-N 1 0 371.235 2.948 20 5 FFBDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000415702246 513389221 /nfs/dbraw/zinc/38/92/21/513389221.db2.gz PMCBVUTVMLWIPU-IUCAKERBSA-N 1 0 357.208 2.558 20 5 FFBDRO [NH3+][C@H]1CCC[C@H](CNC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000415704108 513389705 /nfs/dbraw/zinc/38/97/05/513389705.db2.gz RMQYTWZWVNXYHP-ONGXEEELSA-N 1 0 371.235 2.996 20 5 FFBDRO CCOc1cc(C(=O)NCc2ccc([C@H](C)[NH3+])cc2)c([N+](=O)[O-])cc1OC ZINC000429510381 513395755 /nfs/dbraw/zinc/39/57/55/513395755.db2.gz SKLIADSTIGJHSM-LBPRGKRZSA-N 1 0 373.409 2.952 20 5 FFBDRO COc1ccc(C[N@@H+]2CCCN(c3ncc([N+](=O)[O-])cc3F)CC2)cc1 ZINC000413034271 513397045 /nfs/dbraw/zinc/39/70/45/513397045.db2.gz MFYHRSHSRBYIGC-UHFFFAOYSA-N 1 0 360.389 2.850 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]CC3(N4CCOCC4)CC3)o2)c1 ZINC000434797425 513432639 /nfs/dbraw/zinc/43/26/39/513432639.db2.gz YDEHLDQYKHYKDJ-UHFFFAOYSA-N 1 0 357.410 2.809 20 5 FFBDRO Cc1ncsc1CN(C[C@@H]1CC[NH2+]C1)C(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000447435850 513476422 /nfs/dbraw/zinc/47/64/22/513476422.db2.gz RNBXZDWIAUIAKH-CQSZACIVSA-N 1 0 374.466 2.920 20 5 FFBDRO CC(C)n1c(Sc2ncc([N+](=O)[O-])cc2F)nnc1[C@@H]1CCC[NH2+]C1 ZINC000413152553 513485913 /nfs/dbraw/zinc/48/59/13/513485913.db2.gz ZUNBPVSQWXRHCG-SNVBAGLBSA-N 1 0 366.422 2.920 20 5 FFBDRO NC(=O)Nc1ccc(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000447535694 513500637 /nfs/dbraw/zinc/50/06/37/513500637.db2.gz HTBVADQJVXVAMS-LSDHHAIUSA-N 1 0 358.402 2.555 20 5 FFBDRO O=C1C[C@H]([NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CN1c1ccccc1 ZINC000447560470 513508780 /nfs/dbraw/zinc/50/87/80/513508780.db2.gz CZORXYCUEVFRTN-BHYGNILZSA-N 1 0 369.425 2.670 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCOc2ncccc2Cl)n1 ZINC000447584604 513514185 /nfs/dbraw/zinc/51/41/85/513514185.db2.gz GPVYXEXVQZDLRS-UONOGXRCSA-N 1 0 365.821 2.992 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCc2cnc(C3CC3)nc2)n1 ZINC000447582961 513514478 /nfs/dbraw/zinc/51/44/78/513514478.db2.gz ALFBTIKSVHLMJA-JKSUJKDBSA-N 1 0 356.430 2.775 20 5 FFBDRO CN1C(=O)NCC12CC[NH+](Cc1ccc(-c3cccc([N+](=O)[O-])c3)o1)CC2 ZINC000425373302 513533966 /nfs/dbraw/zinc/53/39/66/513533966.db2.gz PISOEVIUZGJUOE-UHFFFAOYSA-N 1 0 370.409 2.844 20 5 FFBDRO O=[N+]([O-])c1cc(Br)ccc1CN1CC[NH+](CC2CC2)CC1 ZINC000425406267 513548458 /nfs/dbraw/zinc/54/84/58/513548458.db2.gz MJJJTMXJQSVPJP-UHFFFAOYSA-N 1 0 354.248 2.885 20 5 FFBDRO CCc1[nH]nc(C(=O)Nc2cccc3c2OCC[C@H]3[NH+](C)C)c1[N+](=O)[O-] ZINC000447724159 513553629 /nfs/dbraw/zinc/55/36/29/513553629.db2.gz UHPZGJAPSKUZSA-CYBMUJFWSA-N 1 0 359.386 2.518 20 5 FFBDRO CC(C)[N@@H+](Cc1ccc(Br)cc1[N+](=O)[O-])C[C@@H]1CCC(=O)N1 ZINC000425485956 513592310 /nfs/dbraw/zinc/59/23/10/513592310.db2.gz XCIOOUXWYNEEQH-ZDUSSCGKSA-N 1 0 370.247 2.846 20 5 FFBDRO C[C@H](O)C[C@@H]1CCCCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000447840323 513593515 /nfs/dbraw/zinc/59/35/15/513593515.db2.gz RCZAIAVGFDHZKP-RYUDHWBXSA-N 1 0 355.822 2.812 20 5 FFBDRO C[NH+](C)CC1CCC(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000441601795 513599538 /nfs/dbraw/zinc/59/95/38/513599538.db2.gz KHIHEKZTYVNBET-UHFFFAOYSA-N 1 0 358.442 2.786 20 5 FFBDRO CN(c1ccccc1)c1ccc(C[NH2+][C@H](CO)[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000447965163 513640446 /nfs/dbraw/zinc/64/04/46/513640446.db2.gz HTHQGGZDVRKTIV-XLIONFOSSA-N 1 0 371.437 2.992 20 5 FFBDRO COc1cc(CN(C)[C@H]2CCC[NH2+]CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000435620616 513641432 /nfs/dbraw/zinc/64/14/32/513641432.db2.gz DPWYVOMNAJDBNE-LBPRGKRZSA-N 1 0 359.373 2.779 20 5 FFBDRO C[NH+](C)CCN(Cc1ccsc1)c1nc2sccn2c1[N+](=O)[O-] ZINC000413463457 513669420 /nfs/dbraw/zinc/66/94/20/513669420.db2.gz YQROXLXKTTYAMG-UHFFFAOYSA-N 1 0 351.457 2.934 20 5 FFBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2C[C@H](O)C[C@H]2[C@H]2CCCOC2)c1 ZINC000451311865 513669981 /nfs/dbraw/zinc/66/99/81/513669981.db2.gz ZHNTWAOGJUNOOE-PEYYIBSZSA-N 1 0 374.359 2.975 20 5 FFBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@H](CCO)c2cccc(C(F)(F)F)c2)c1 ZINC000451313421 513671212 /nfs/dbraw/zinc/67/12/12/513671212.db2.gz WEHBCVDHQXFAJX-CQSZACIVSA-N 1 0 358.320 2.523 20 5 FFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1c2ccccc2CC[C@@H]1C[NH+](C)C ZINC000425636214 513672852 /nfs/dbraw/zinc/67/28/52/513672852.db2.gz XCLJZZPBDDUJNC-OAHLLOKOSA-N 1 0 354.410 2.821 20 5 FFBDRO CNC(=O)c1ccc(N(CC[NH+](C)C)CC2CCCCC2)c([N+](=O)[O-])c1 ZINC000448122970 513681934 /nfs/dbraw/zinc/68/19/34/513681934.db2.gz AZVOWOWVWWACJW-UHFFFAOYSA-N 1 0 362.474 2.903 20 5 FFBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000451340594 513686663 /nfs/dbraw/zinc/68/66/63/513686663.db2.gz JVXPUFXOVAKAGL-CXHZTBPHSA-N 1 0 361.442 2.937 20 5 FFBDRO O=C1[C@H]([N@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)CCN1c1cccc([N+](=O)[O-])c1 ZINC000451343681 513690081 /nfs/dbraw/zinc/69/00/81/513690081.db2.gz OSIQADPCXAQWBR-MKXGPGLRSA-N 1 0 373.453 2.716 20 5 FFBDRO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)cccc1[N+](=O)[O-] ZINC000451428946 513746169 /nfs/dbraw/zinc/74/61/69/513746169.db2.gz WVRSOEDPENAZCP-ZZCKCESHSA-N 1 0 361.442 2.856 20 5 FFBDRO Cc1c(NC(=O)[C@H](C)NC2CC[NH+](C3CCC3)CC2)cccc1[N+](=O)[O-] ZINC000419296551 513767004 /nfs/dbraw/zinc/76/70/04/513767004.db2.gz RZQLQRRLYWJGJZ-AWEZNQCLSA-N 1 0 360.458 2.837 20 5 FFBDRO CC1(C)[C@H]([NH2+]Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@H]2CCCO[C@H]21 ZINC000451477798 513775254 /nfs/dbraw/zinc/77/52/54/513775254.db2.gz IWMCWCUFFJZBNI-FVQBIDKESA-N 1 0 358.398 2.938 20 5 FFBDRO COc1ccc(NC(=O)[C@H](C)N2CC[C@@H](OC)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000451562212 513834847 /nfs/dbraw/zinc/83/48/47/513834847.db2.gz IXEDDWXVNDLWNG-BLLLJJGKSA-N 1 0 365.430 2.677 20 5 FFBDRO CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000451590967 513853728 /nfs/dbraw/zinc/85/37/28/513853728.db2.gz MNCQOHPTROWUBM-WQVCFCJDSA-N 1 0 363.414 2.633 20 5 FFBDRO CCOc1cc(C(=O)N2c3ccccc3C[C@@H]2C[NH3+])c([N+](=O)[O-])cc1OC ZINC000422624602 513877860 /nfs/dbraw/zinc/87/78/60/513877860.db2.gz CCMNEGMZFWSEFR-CYBMUJFWSA-N 1 0 371.393 2.532 20 5 FFBDRO COc1cc(C(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000448782568 513896097 /nfs/dbraw/zinc/89/60/97/513896097.db2.gz DZBKIESEVRJTKY-FRRDWIJNSA-N 1 0 367.421 2.839 20 5 FFBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431495428 513911511 /nfs/dbraw/zinc/91/15/11/513911511.db2.gz JHIWEFPKLPDWEY-YMTOWFKASA-N 1 0 368.231 2.570 20 5 FFBDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000422840816 513949311 /nfs/dbraw/zinc/94/93/11/513949311.db2.gz CCWGFHILNVBVBD-MNOVXSKESA-N 1 0 357.863 2.926 20 5 FFBDRO COc1cc(C(=O)NCCC[NH2+]C2CCCCC2)cc([N+](=O)[O-])c1OC ZINC000419928237 513968884 /nfs/dbraw/zinc/96/88/84/513968884.db2.gz XSMHUBCKHBJTBC-UHFFFAOYSA-N 1 0 365.430 2.654 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCCN1 ZINC000423036626 514013773 /nfs/dbraw/zinc/01/37/73/514013773.db2.gz ATXACKXNUIHPIN-BZUAXINKSA-N 1 0 353.850 2.537 20 5 FFBDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000426785133 514040536 /nfs/dbraw/zinc/04/05/36/514040536.db2.gz ONHKAOJZXGBMFQ-LBPRGKRZSA-N 1 0 357.838 2.862 20 5 FFBDRO COc1ccc(CSCC(=O)N[C@@H](C)C[N@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000426797057 514044720 /nfs/dbraw/zinc/04/47/20/514044720.db2.gz FBEHTYGOILUWCS-ZDUSSCGKSA-N 1 0 369.487 2.682 20 5 FFBDRO CCc1cc(N2CC[NH2+]C[C@@](C)(F)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000420273017 514066469 /nfs/dbraw/zinc/06/64/69/514066469.db2.gz XELFPYBFUOOFEI-GOSISDBHSA-N 1 0 359.405 2.752 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCS(=O)(=O)c1ccccc1 ZINC000449108998 514075593 /nfs/dbraw/zinc/07/55/93/514075593.db2.gz WQIBXXBXCBBHSN-OAHLLOKOSA-N 1 0 362.451 2.979 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@]2(CCSC2)C1 ZINC000451964042 514098662 /nfs/dbraw/zinc/09/86/62/514098662.db2.gz INIZLDDUQJSHHO-PBHICJAKSA-N 1 0 352.456 2.554 20 5 FFBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2cnc(CCc3ccccc3)s2)c1 ZINC000449188011 514105908 /nfs/dbraw/zinc/10/59/08/514105908.db2.gz FLLAHFJBCJIOLU-UHFFFAOYSA-N 1 0 357.439 2.823 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000420402709 514133502 /nfs/dbraw/zinc/13/35/02/514133502.db2.gz KIJKCQICEXVFCG-LJQANCHMSA-N 1 0 368.437 2.878 20 5 FFBDRO COC(=O)[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)C[C@@H]1c1ccccc1 ZINC000452010796 514134584 /nfs/dbraw/zinc/13/45/84/514134584.db2.gz WFOCZKRHYOJPJL-MSOLQXFVSA-N 1 0 370.405 2.992 20 5 FFBDRO Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449264097 514137640 /nfs/dbraw/zinc/13/76/40/514137640.db2.gz NRELWSZACLEBTJ-UVIMBBFXSA-N 1 0 358.442 2.996 20 5 FFBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437345551 514145696 /nfs/dbraw/zinc/14/56/96/514145696.db2.gz LEJYLWNQWNBMQR-YMTOWFKASA-N 1 0 357.332 2.826 20 5 FFBDRO C[C@H]1C[N@@H+](C2CCN(c3ccnc4c3cccc4[N+](=O)[O-])CC2)CCO1 ZINC000432315795 514156060 /nfs/dbraw/zinc/15/60/60/514156060.db2.gz SKGMZRBYOBXFMB-AWEZNQCLSA-N 1 0 356.426 2.833 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC(=O)N[C@H]1CCOc2ccccc21 ZINC000449306017 514157025 /nfs/dbraw/zinc/15/70/25/514157025.db2.gz JBECIFXDKQIJDN-YOEHRIQHSA-N 1 0 369.421 2.755 20 5 FFBDRO C[C@H]1CN(c2ccnc3c2cccc3[N+](=O)[O-])CC[C@H]1[NH+]1CCN(C)CC1 ZINC000432329416 514161596 /nfs/dbraw/zinc/16/15/96/514161596.db2.gz PKWUHMNGNVGIBU-DOTOQJQBSA-N 1 0 369.469 2.605 20 5 FFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423535296 514164562 /nfs/dbraw/zinc/16/45/62/514164562.db2.gz XJDDEZLMNUPSIC-ZOCIIQOWSA-N 1 0 368.437 2.657 20 5 FFBDRO COc1ccc(C[C@@H](CO)C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])cc1O ZINC000449325721 514165887 /nfs/dbraw/zinc/16/58/87/514165887.db2.gz PBDTVMGCGBLBDL-GOEBONIOSA-N 1 0 374.437 2.681 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1CNCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432364139 514173226 /nfs/dbraw/zinc/17/32/26/514173226.db2.gz ZVEYYHWEVSDAOF-OAHLLOKOSA-N 1 0 351.447 2.584 20 5 FFBDRO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)c1cc(F)cc2c1[nH]c1c(F)cccc1c2=O ZINC000423655214 514194018 /nfs/dbraw/zinc/19/40/18/514194018.db2.gz UVSBAGUXMCZTMM-PSLIRLAXSA-N 1 0 357.360 2.521 20 5 FFBDRO CC[C@H]1[C@@H](CO)CC[N@@H+]1Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000449427519 514206760 /nfs/dbraw/zinc/20/67/60/514206760.db2.gz SLWGINYTKIQFPD-YPMHNXCESA-N 1 0 374.384 2.840 20 5 FFBDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000423734481 514214243 /nfs/dbraw/zinc/21/42/43/514214243.db2.gz CYURQMMPYMWEBC-VXGBXAGGSA-N 1 0 353.397 2.678 20 5 FFBDRO CO[C@@H]1COCC[C@@H]1C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000449452474 514215484 /nfs/dbraw/zinc/21/54/84/514215484.db2.gz GAQQBOIWGFJDKB-CZUORRHYSA-N 1 0 363.439 2.859 20 5 FFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000423749323 514218346 /nfs/dbraw/zinc/21/83/46/514218346.db2.gz SMJBMEVVCQCXHD-LLVKDONJSA-N 1 0 351.350 2.716 20 5 FFBDRO COC(=O)COc1ccc(C[N@@H+]2C[C@H](C3CC3)[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000449542636 514246934 /nfs/dbraw/zinc/24/69/34/514246934.db2.gz QUYKEFHRFITTCE-DNVCBOLYSA-N 1 0 360.410 2.767 20 5 FFBDRO CS(=O)(=O)CC1(C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000417308787 514287811 /nfs/dbraw/zinc/28/78/11/514287811.db2.gz IJAOVAFMELKIIB-INIZCTEOSA-N 1 0 352.456 2.777 20 5 FFBDRO CC1(C)C[NH2+]CC[C@H]1NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000449701790 514312957 /nfs/dbraw/zinc/31/29/57/514312957.db2.gz CGNZUSNFHRAXKQ-CQSZACIVSA-N 1 0 355.822 2.521 20 5 FFBDRO COc1ccc(CN[C@@H]2CC[NH2+]C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000414864026 514329356 /nfs/dbraw/zinc/32/93/56/514329356.db2.gz BGTCRKBTPVFRGX-MRXNPFEDSA-N 1 0 357.410 2.634 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N[C@H]3CC[NH2+]C3(C)C)cc2[N+](=O)[O-])CC1 ZINC000449746774 514332864 /nfs/dbraw/zinc/33/28/64/514332864.db2.gz GXOJSXWBHRJDPM-KRWDZBQOSA-N 1 0 360.458 2.701 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CN[C@H]2CC[NH2+]C2)cc1 ZINC000414888511 514343051 /nfs/dbraw/zinc/34/30/51/514343051.db2.gz SCGHEVVXERCGJJ-KRWDZBQOSA-N 1 0 363.421 2.899 20 5 FFBDRO COc1cc(C[N@@H+]2CC[C@@H](CCCO)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000449792021 514353302 /nfs/dbraw/zinc/35/33/02/514353302.db2.gz RBIBBGHNEQKKQW-GFCCVEGCSA-N 1 0 374.384 2.842 20 5 FFBDRO CC1(CNC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CC[NH2+]CC1 ZINC000414947337 514369463 /nfs/dbraw/zinc/36/94/63/514369463.db2.gz KSEPBBYSZBIESC-UHFFFAOYSA-N 1 0 358.345 2.707 20 5 FFBDRO C[NH+](C)CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)C(C)(C)C ZINC000449879730 514405555 /nfs/dbraw/zinc/40/55/55/514405555.db2.gz JJHTUMGPHHWZEW-QGZVFWFLSA-N 1 0 373.457 2.877 20 5 FFBDRO O=[N+]([O-])c1cc(CNC[C@H]2C[NH2+]CCO2)ccc1Oc1ccc(F)cc1 ZINC000415095371 514439953 /nfs/dbraw/zinc/43/99/53/514439953.db2.gz MJQSLJCNJGPCSF-MRXNPFEDSA-N 1 0 361.373 2.604 20 5 FFBDRO C[C@H](NC(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12)c1cccc([N+](=O)[O-])c1 ZINC000438874117 514456401 /nfs/dbraw/zinc/45/64/01/514456401.db2.gz CEPADDMLSTUZKZ-SJCJKPOMSA-N 1 0 352.394 2.823 20 5 FFBDRO Cn1cnc([N+](=O)[O-])c1-c1noc([C@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000445574998 514494639 /nfs/dbraw/zinc/49/46/39/514494639.db2.gz NZMYZXSUBKTQDT-AWEZNQCLSA-N 1 0 368.397 2.758 20 5 FFBDRO COc1ccccc1[C@H](CNc1ncc([N+](=O)[O-])c(C)n1)[NH+]1CCCC1 ZINC000450212710 514544460 /nfs/dbraw/zinc/54/44/60/514544460.db2.gz FHEVFLVGCQZJOC-INIZCTEOSA-N 1 0 357.414 2.951 20 5 FFBDRO COC(=O)Cc1ccc(N[C@H]2CC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000450218474 514547879 /nfs/dbraw/zinc/54/78/79/514547879.db2.gz XVGHWJZQHVZVGW-KRWDZBQOSA-N 1 0 369.421 2.997 20 5 FFBDRO Cc1cc(NC[C@@]2([NH+](C)C)CCSC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000479459332 514591693 /nfs/dbraw/zinc/59/16/93/514591693.db2.gz XOYPHIACAXOCOD-SFHVURJKSA-N 1 0 373.482 2.631 20 5 FFBDRO CC[NH+](CC)Cc1ccc(CNC(=O)CCn2cc([N+](=O)[O-])nc2C)cc1 ZINC000497687159 514594509 /nfs/dbraw/zinc/59/45/09/514594509.db2.gz QZRMWUXGSBXXKP-UHFFFAOYSA-N 1 0 373.457 2.648 20 5 FFBDRO Cc1cc(NC(=O)c2c(N)cccc2[N+](=O)[O-])ccc1OCC[NH+](C)C ZINC000458191698 514613480 /nfs/dbraw/zinc/61/34/80/514613480.db2.gz AYJCAPGVHIADKJ-UHFFFAOYSA-N 1 0 358.398 2.678 20 5 FFBDRO C[C@@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])C(=O)NCCc1ccccc1 ZINC000453414133 514625716 /nfs/dbraw/zinc/62/57/16/514625716.db2.gz SPTHGZHYIJZDRX-JKSUJKDBSA-N 1 0 355.438 2.863 20 5 FFBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000458227436 514643783 /nfs/dbraw/zinc/64/37/83/514643783.db2.gz UECDUAWCRXQCMG-ZDUSSCGKSA-N 1 0 351.422 2.860 20 5 FFBDRO COC1CC[NH+](C2(CNC(=O)c3cccc([N+](=O)[O-])c3)CCCC2)CC1 ZINC000502434470 514650452 /nfs/dbraw/zinc/65/04/52/514650452.db2.gz YVJOPECPRRYCCN-UHFFFAOYSA-N 1 0 361.442 2.748 20 5 FFBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000461608268 514662728 /nfs/dbraw/zinc/66/27/28/514662728.db2.gz LDVKVEUHWALXTP-CQSZACIVSA-N 1 0 359.430 2.631 20 5 FFBDRO CCOc1cc(N2CC[NH+](C[C@@H]3CCO[C@@H](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000475513906 514697408 /nfs/dbraw/zinc/69/74/08/514697408.db2.gz VWGZLEIXQJSSRF-JKSUJKDBSA-N 1 0 363.458 2.931 20 5 FFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000470976960 514702950 /nfs/dbraw/zinc/70/29/50/514702950.db2.gz MIZFRBOZLUOBJE-ZBFHGGJFSA-N 1 0 360.458 2.586 20 5 FFBDRO C[C@H]([NH2+][C@@H](C)[C@H]1CCCOC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000502649517 514726874 /nfs/dbraw/zinc/72/68/74/514726874.db2.gz TUSNXCJGXTUXSO-SRVKXCTJSA-N 1 0 355.822 2.980 20 5 FFBDRO Cc1nc(N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)ccc1[N+](=O)[O-] ZINC000471058818 514735101 /nfs/dbraw/zinc/73/51/01/514735101.db2.gz GPHDLCKQNQTDLW-IRXDYDNUSA-N 1 0 356.426 2.593 20 5 FFBDRO COCC[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@H]1CC[C@@H](C)C1 ZINC000484890436 514832304 /nfs/dbraw/zinc/83/23/04/514832304.db2.gz FJMQPTAUFUPJGB-ZBFHGGJFSA-N 1 0 361.442 2.621 20 5 FFBDRO COCC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1scnc1C ZINC000489435725 514846628 /nfs/dbraw/zinc/84/66/28/514846628.db2.gz JTTUOYODYVHHCP-UHFFFAOYSA-N 1 0 351.428 2.887 20 5 FFBDRO CC[NH+](CC)[C@@H](CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)CC(C)C ZINC000498454867 514912903 /nfs/dbraw/zinc/91/29/03/514912903.db2.gz PBORHHPYOVIQBA-CQSZACIVSA-N 1 0 361.446 2.957 20 5 FFBDRO O=C(CC[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1)N1CCCc2ccccc21 ZINC000503212490 514961511 /nfs/dbraw/zinc/96/15/11/514961511.db2.gz POZGDJNQNDFXAD-UHFFFAOYSA-N 1 0 366.421 2.717 20 5 FFBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000480515375 514984605 /nfs/dbraw/zinc/98/46/05/514984605.db2.gz XLXNQZUIIIBDJW-INIZCTEOSA-N 1 0 368.437 2.888 20 5 FFBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](CCSC)C(=O)NC)cc1[N+](=O)[O-] ZINC000489908329 515026036 /nfs/dbraw/zinc/02/60/36/515026036.db2.gz NMIADAAMANEHHO-YPMHNXCESA-N 1 0 355.460 2.512 20 5 FFBDRO COCC[N@@H+]1CCC[C@H]1CNc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000485411681 515029702 /nfs/dbraw/zinc/02/97/02/515029702.db2.gz IQCOMYGVSHPYKQ-INIZCTEOSA-N 1 0 374.416 2.741 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N3CC[N@H+](C)CC[C@@H]3C)cc2[N+](=O)[O-])C1 ZINC000498705634 515031980 /nfs/dbraw/zinc/03/19/80/515031980.db2.gz ITAIVZWCIDWYJH-CVEARBPZSA-N 1 0 374.485 2.997 20 5 FFBDRO CC(C)[NH+](CCCNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000503448842 515038063 /nfs/dbraw/zinc/03/80/63/515038063.db2.gz SHPYAPSDXFSCCK-UHFFFAOYSA-N 1 0 371.503 2.566 20 5 FFBDRO CCOC(=O)[C@]1(COC)CCC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000467552533 515045660 /nfs/dbraw/zinc/04/56/60/515045660.db2.gz XIGFDYLJVCRVGS-GOSISDBHSA-N 1 0 350.415 2.695 20 5 FFBDRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H]2CCC[C@H]2OC(F)F)c([N+](=O)[O-])c1 ZINC000503525676 515071074 /nfs/dbraw/zinc/07/10/74/515071074.db2.gz JDSAGZHJZYGBOF-GAJTVXKRSA-N 1 0 373.356 2.680 20 5 FFBDRO CC[N@H+](CCNc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1)C1CC1 ZINC000462486290 515078881 /nfs/dbraw/zinc/07/88/81/515078881.db2.gz ARXOVWJGBZHQLJ-UHFFFAOYSA-N 1 0 356.426 2.887 20 5 FFBDRO C[C@@H](CN1CCN(c2ccccn2)CC1)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000467855911 515147413 /nfs/dbraw/zinc/14/74/13/515147413.db2.gz OIDJVVUBUVOKRO-IRXDYDNUSA-N 1 0 369.469 2.851 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000480985838 515161962 /nfs/dbraw/zinc/16/19/62/515161962.db2.gz WEWGXMOYPHHDIX-ZFWWWQNUSA-N 1 0 369.487 2.705 20 5 FFBDRO Cc1ccc(C)c(S(=O)(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000481009011 515171356 /nfs/dbraw/zinc/17/13/56/515171356.db2.gz FRIGKNOAGPTEJA-WFASDCNBSA-N 1 0 369.487 2.610 20 5 FFBDRO CCCC1CCC([NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000504137143 515228060 /nfs/dbraw/zinc/22/80/60/515228060.db2.gz DOHHSGVEEIWWJE-UHFFFAOYSA-N 1 0 369.487 2.822 20 5 FFBDRO CN(c1ccccc1)c1ccc(C[NH2+]CC2(O)CCOCC2)cc1[N+](=O)[O-] ZINC000504171470 515236628 /nfs/dbraw/zinc/23/66/28/515236628.db2.gz XRHSOQQUXSHQIV-UHFFFAOYSA-N 1 0 371.437 2.994 20 5 FFBDRO CNc1c(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cccc1[N+](=O)[O-] ZINC000462781606 515242692 /nfs/dbraw/zinc/24/26/92/515242692.db2.gz YWCUOZMBVPHEBY-CZUORRHYSA-N 1 0 358.442 2.725 20 5 FFBDRO Cc1c(Br)cc(C(=O)N2C[C@H](C)N(C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000509591629 515247919 /nfs/dbraw/zinc/24/79/19/515247919.db2.gz JXVBXULEXCNTCU-VHSXEESVSA-N 1 0 370.247 2.830 20 5 FFBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000485903449 515248263 /nfs/dbraw/zinc/24/82/63/515248263.db2.gz DXTULWNTUKHQEW-RYUDHWBXSA-N 1 0 355.385 2.652 20 5 FFBDRO CC[C@@H](C)[NH+]1CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 ZINC000456550862 515250448 /nfs/dbraw/zinc/25/04/48/515250448.db2.gz LVGMZXLPVWIKGL-OAHLLOKOSA-N 1 0 360.458 2.751 20 5 FFBDRO C[NH+]1CCC2(CCCN2C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000509658863 515278727 /nfs/dbraw/zinc/27/87/27/515278727.db2.gz QDSHMGGFVPCTTQ-UHFFFAOYSA-N 1 0 356.426 2.636 20 5 FFBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000486033026 515304904 /nfs/dbraw/zinc/30/49/04/515304904.db2.gz ZOVDQCNVCMOBJM-GFCCVEGCSA-N 1 0 355.385 2.652 20 5 FFBDRO CNc1c(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)cccc1[N+](=O)[O-] ZINC000462981489 515319650 /nfs/dbraw/zinc/31/96/50/515319650.db2.gz OVVQEKZJCYWPLO-UHFFFAOYSA-N 1 0 360.389 2.767 20 5 FFBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH+]1CCC(C(F)F)CC1 ZINC000486125511 515343264 /nfs/dbraw/zinc/34/32/64/515343264.db2.gz VBYGYXSZTDPYGA-UHFFFAOYSA-N 1 0 355.341 2.870 20 5 FFBDRO O=C(NC1CC[NH+](C2CCC2)CC1)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000456736211 515391358 /nfs/dbraw/zinc/39/13/58/515391358.db2.gz RWDCIOJRZYVRTB-UHFFFAOYSA-N 1 0 369.425 2.527 20 5 FFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)CCS(C)(=O)=O ZINC000504900185 515405090 /nfs/dbraw/zinc/40/50/90/515405090.db2.gz STRFHICRCOSIQX-OLZOCXBDSA-N 1 0 360.501 2.878 20 5 FFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C1CCC(S(C)(=O)=O)CC1 ZINC000468640394 515450627 /nfs/dbraw/zinc/45/06/27/515450627.db2.gz ICSFFJDOZUMXPA-RAXLEYEMSA-N 1 0 352.456 2.944 20 5 FFBDRO COc1cc(C[NH+]2CCC(c3nnc4n3CCCC4)CC2)ccc1[N+](=O)[O-] ZINC000481829826 515481082 /nfs/dbraw/zinc/48/10/82/515481082.db2.gz HSEDGUNDZICKFU-UHFFFAOYSA-N 1 0 371.441 2.911 20 5 FFBDRO CC(C)[NH+](CCN(C)C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)C(C)C ZINC000505350081 515510985 /nfs/dbraw/zinc/51/09/85/515510985.db2.gz FIQDTVFZVPTHPE-UHFFFAOYSA-N 1 0 373.457 2.971 20 5 FFBDRO CN(CC(=O)NCC1([NH+](C)C)CCCCCC1)c1ccccc1[N+](=O)[O-] ZINC000463472169 515515146 /nfs/dbraw/zinc/51/51/46/515515146.db2.gz PZKHRIHEDFNDFP-UHFFFAOYSA-N 1 0 362.474 2.802 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCCC[NH+]1CCC(C)CC1 ZINC000481965872 515530163 /nfs/dbraw/zinc/53/01/63/515530163.db2.gz NSNOJEUEQAXDMA-UHFFFAOYSA-N 1 0 369.487 2.612 20 5 FFBDRO COc1cc(C[NH2+][C@@H](CC(=O)N(C)C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000492760156 515562036 /nfs/dbraw/zinc/56/20/36/515562036.db2.gz YIODJTWQBQJDTL-INIZCTEOSA-N 1 0 357.410 2.913 20 5 FFBDRO CC(C)[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1(CO)CCCC1 ZINC000459520149 515616115 /nfs/dbraw/zinc/61/61/15/515616115.db2.gz CNCGVNZZNXPUIP-QAPCUYQASA-N 1 0 366.458 2.501 20 5 FFBDRO Cc1nc(CC[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c(C)o1 ZINC000500230275 515637471 /nfs/dbraw/zinc/63/74/71/515637471.db2.gz PEWAGPZHKLPEJW-UHFFFAOYSA-N 1 0 355.398 2.932 20 5 FFBDRO CC(C)[C@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C1(CO)CCCC1 ZINC000459546352 515638785 /nfs/dbraw/zinc/63/87/85/515638785.db2.gz UOOUHRJOHJGDDI-SFHVURJKSA-N 1 0 363.458 2.725 20 5 FFBDRO O=[N+]([O-])c1cc2ccccc2nc1NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000473514557 515641718 /nfs/dbraw/zinc/64/17/18/515641718.db2.gz WOVMKKDWORGHQE-IEBWSBKVSA-N 1 0 370.453 2.745 20 5 FFBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000482382606 515663534 /nfs/dbraw/zinc/66/35/34/515663534.db2.gz FNYWTHKRVXZSEC-HZPDHXFCSA-N 1 0 363.458 2.848 20 5 FFBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)cc1OC ZINC000457126157 515672222 /nfs/dbraw/zinc/67/22/22/515672222.db2.gz QWVMSBPRLXUMKT-CYBMUJFWSA-N 1 0 365.430 2.557 20 5 FFBDRO CO[C@@H](CC[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000469161500 515698633 /nfs/dbraw/zinc/69/86/33/515698633.db2.gz VOUJJOOJQXEAEF-MFKMUULPSA-N 1 0 363.336 2.869 20 5 FFBDRO CC1CC[NH+](Cc2ccc(NC(=O)c3cc([N+](=O)[O-])nn3C)cc2)CC1 ZINC000478118035 515707861 /nfs/dbraw/zinc/70/78/61/515707861.db2.gz ZIBIMRCFKKVCTG-UHFFFAOYSA-N 1 0 357.414 2.813 20 5 FFBDRO COc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000494006102 515710442 /nfs/dbraw/zinc/71/04/42/515710442.db2.gz GEEPOXXILYVORV-RHSMWYFYSA-N 1 0 369.421 2.996 20 5 FFBDRO C[C@@H](CCNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)[NH+]1CCCCC1 ZINC000487005608 515718824 /nfs/dbraw/zinc/71/88/24/515718824.db2.gz FXAFMJHNQQBUSW-LBPRGKRZSA-N 1 0 355.385 2.796 20 5 FFBDRO COc1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000494068632 515723845 /nfs/dbraw/zinc/72/38/45/515723845.db2.gz JAFNWAUNPSJCKU-PBHICJAKSA-N 1 0 369.421 2.996 20 5 FFBDRO CC[NH+](CC)Cc1cccc(CNC(=O)c2ccc([N+](=O)[O-])c(NC)n2)c1 ZINC000454840061 515780925 /nfs/dbraw/zinc/78/09/25/515780925.db2.gz QIYROPLYHSBTRR-UHFFFAOYSA-N 1 0 371.441 2.803 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+]C2CCC(F)(F)CC2)cc1[N+](=O)[O-] ZINC000474001825 515838683 /nfs/dbraw/zinc/83/86/83/515838683.db2.gz UAYVWPVCMRNROI-UHFFFAOYSA-N 1 0 358.341 2.814 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+]CCc2ccsc2)cc1[N+](=O)[O-] ZINC000474011688 515841992 /nfs/dbraw/zinc/84/19/92/515841992.db2.gz MMUAIYCWPWHGIJ-UHFFFAOYSA-N 1 0 350.396 2.540 20 5 FFBDRO CC(C)(CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)C[NH+]1CCCC1 ZINC000482955627 515860697 /nfs/dbraw/zinc/86/06/97/515860697.db2.gz FSBHQFSKFVFBBS-UHFFFAOYSA-N 1 0 371.441 2.632 20 5 FFBDRO C[NH+](C)C1(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CCC1 ZINC000474103912 515884030 /nfs/dbraw/zinc/88/40/30/515884030.db2.gz DTTIGWAFQRMFRB-UHFFFAOYSA-N 1 0 370.247 2.500 20 5 FFBDRO Cc1cc(N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)ncc1[N+](=O)[O-] ZINC000474152235 515907156 /nfs/dbraw/zinc/90/71/56/515907156.db2.gz TZWLQGASRSYUCW-SJORKVTESA-N 1 0 356.426 2.593 20 5 FFBDRO C[C@@H](CNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000511471399 515916123 /nfs/dbraw/zinc/91/61/23/515916123.db2.gz AORYDJHUBHUQQH-CVEARBPZSA-N 1 0 362.474 2.899 20 5 FFBDRO C[C@H](CC[NH+](C)C)NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000501073296 515967180 /nfs/dbraw/zinc/96/71/80/515967180.db2.gz LCIVOAWPNXFREW-SECBINFHSA-N 1 0 359.224 2.819 20 5 FFBDRO Cc1ccc(C[N@H+](CCO)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)o1 ZINC000483184466 515971638 /nfs/dbraw/zinc/97/16/38/515971638.db2.gz XFMXFXOPNFIHRB-UHFFFAOYSA-N 1 0 361.398 2.628 20 5 FFBDRO CC1(C)C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@]2(CCOC2)O1 ZINC000483189282 515976706 /nfs/dbraw/zinc/97/67/06/515976706.db2.gz BZNQRSFOCSWOCA-SFHVURJKSA-N 1 0 350.415 2.634 20 5 FFBDRO C[NH+]1CCC(NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000501103084 515981436 /nfs/dbraw/zinc/98/14/36/515981436.db2.gz AKVVAOSRJKVUDN-UHFFFAOYSA-N 1 0 357.208 2.573 20 5 FFBDRO C[C@@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@@]2(CCCOC2)O1 ZINC000483368861 516052114 /nfs/dbraw/zinc/05/21/14/516052114.db2.gz CLGLUPQRQLKDRO-CRAIPNDOSA-N 1 0 350.415 2.634 20 5 FFBDRO COCC[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@H]1CCC[C@@H]1C ZINC000487959910 516052928 /nfs/dbraw/zinc/05/29/28/516052928.db2.gz SJHNMFFPFCZGFS-YOEHRIQHSA-N 1 0 361.442 2.621 20 5 FFBDRO CCC[N@H+](CC)CCNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000487971572 516060306 /nfs/dbraw/zinc/06/03/06/516060306.db2.gz WXXFYTUHOHTORK-UHFFFAOYSA-N 1 0 356.854 2.822 20 5 FFBDRO CC[NH+](CC)CCOC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000465266894 516111130 /nfs/dbraw/zinc/11/11/30/516111130.db2.gz XEUADVDGZOHXLJ-UHFFFAOYSA-N 1 0 363.458 2.866 20 5 FFBDRO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000470115825 516126161 /nfs/dbraw/zinc/12/61/61/516126161.db2.gz QGTBSJPJPFRZPL-UHFFFAOYSA-N 1 0 373.388 2.915 20 5 FFBDRO O=C([C@H]1CCC[N@@H+]1C1CCCC1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000470290659 516195750 /nfs/dbraw/zinc/19/57/50/516195750.db2.gz WFJWPLQUCVKIMU-GOSISDBHSA-N 1 0 359.426 2.591 20 5 FFBDRO C[C@@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)C1CCS(=O)(=O)CC1 ZINC000474798336 516198313 /nfs/dbraw/zinc/19/83/13/516198313.db2.gz KLUVBGGEXZCCJB-CQSZACIVSA-N 1 0 354.472 2.720 20 5 FFBDRO O=C(N[C@H]1CCc2[nH]cnc2C1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000483750049 516199817 /nfs/dbraw/zinc/19/98/17/516199817.db2.gz BVUPDGYHUCKHGX-QMMMGPOBSA-N 1 0 354.288 2.624 20 5 FFBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000488346917 516201825 /nfs/dbraw/zinc/20/18/25/516201825.db2.gz NEEAQPCBFZCZBP-OAHLLOKOSA-N 1 0 368.865 2.916 20 5 FFBDRO Cc1ccc(S(=O)(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000507453795 516215425 /nfs/dbraw/zinc/21/54/25/516215425.db2.gz ZYXPZEFOPWSVAZ-HUUCEWRRSA-N 1 0 369.487 2.550 20 5 FFBDRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000507480315 516220669 /nfs/dbraw/zinc/22/06/69/516220669.db2.gz RMFSSKJEIRHARO-GJZGRUSLSA-N 1 0 363.458 2.846 20 5 FFBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000488475660 516234660 /nfs/dbraw/zinc/23/46/60/516234660.db2.gz JRGBBCHHLSPYIU-HOCLYGCPSA-N 1 0 356.426 2.574 20 5 FFBDRO Cc1cc(OCC(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000484147700 516305726 /nfs/dbraw/zinc/30/57/26/516305726.db2.gz QISFBYHKQOEYKN-OAHLLOKOSA-N 1 0 363.458 2.910 20 5 FFBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](CCO)C2CCOCC2)cc1[N+](=O)[O-] ZINC000461095964 516316383 /nfs/dbraw/zinc/31/63/83/516316383.db2.gz APRNUAVUFPNSHU-BBRMVZONSA-N 1 0 352.431 2.822 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NC2CC[NH+](CC3CCCC3)CC2)cc1 ZINC000497569541 516326843 /nfs/dbraw/zinc/32/68/43/516326843.db2.gz NGAKCUYVUIKRKN-UHFFFAOYSA-N 1 0 367.471 2.528 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@H]1C ZINC000535383502 516334275 /nfs/dbraw/zinc/33/42/75/516334275.db2.gz CJWIJJGCCGTMPC-UKRRQHHQSA-N 1 0 358.442 2.950 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](COC(F)F)C1 ZINC000512822156 516374071 /nfs/dbraw/zinc/37/40/71/516374071.db2.gz FMOOSQJKISBABA-LBPRGKRZSA-N 1 0 357.357 2.793 20 5 FFBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2cccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000561153614 516411477 /nfs/dbraw/zinc/41/14/77/516411477.db2.gz FPRUCWBJWZQGDK-DZGCQCFKSA-N 1 0 354.410 2.941 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)n1 ZINC000561182967 516434992 /nfs/dbraw/zinc/43/49/92/516434992.db2.gz CVFCURIVAZTMHK-LBPRGKRZSA-N 1 0 350.419 2.699 20 5 FFBDRO Cc1ccccc1[C@@H](CO)[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000543840664 516455839 /nfs/dbraw/zinc/45/58/39/516455839.db2.gz XJSMMJMOKQCHPF-OAHLLOKOSA-N 1 0 363.801 2.818 20 5 FFBDRO CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])s1 ZINC000513087458 516468330 /nfs/dbraw/zinc/46/83/30/516468330.db2.gz AIROSEHPAWLNRV-MNOVXSKESA-N 1 0 363.443 2.762 20 5 FFBDRO CNc1ccc(C(=O)N(CC[NH+](C)C)Cc2cccs2)cc1[N+](=O)[O-] ZINC000531466077 516482223 /nfs/dbraw/zinc/48/22/23/516482223.db2.gz HBHZJOYGGISPSJ-UHFFFAOYSA-N 1 0 362.455 2.902 20 5 FFBDRO COc1ccc(C[NH2+]C[C@H](O)Cc2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000554523618 516483433 /nfs/dbraw/zinc/48/34/33/516483433.db2.gz VGZIYQJBDAEAND-OAHLLOKOSA-N 1 0 350.802 2.950 20 5 FFBDRO C[N@H+](CCC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)C1CCCCC1 ZINC000547733546 516525962 /nfs/dbraw/zinc/52/59/62/516525962.db2.gz PZDFZGDXBPJSRR-UHFFFAOYSA-N 1 0 374.485 2.898 20 5 FFBDRO C[NH+](C)[C@@H](CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)C1CCCCC1 ZINC000518052914 516534866 /nfs/dbraw/zinc/53/48/66/516534866.db2.gz OGBBNAZXXIVQLI-INIZCTEOSA-N 1 0 359.430 2.711 20 5 FFBDRO CCN(CC[NH+]1CCCCCC1)C(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000558028429 516560999 /nfs/dbraw/zinc/56/09/99/516560999.db2.gz HRRYKIOBZZGFSK-UHFFFAOYSA-N 1 0 365.478 2.523 20 5 FFBDRO C[NH+](C)C[C@H](NC(=O)COc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000554641486 516562652 /nfs/dbraw/zinc/56/26/52/516562652.db2.gz XRNTVGJJAOLAEX-HNNXBMFYSA-N 1 0 361.373 2.532 20 5 FFBDRO CC(C)[NH+]1CCC(NC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000558063776 516576762 /nfs/dbraw/zinc/57/67/62/516576762.db2.gz FCVHEJXNXOXCCU-UHFFFAOYSA-N 1 0 373.457 2.791 20 5 FFBDRO CS[C@H]1CN(c2ccc(Br)cc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000536172937 516664133 /nfs/dbraw/zinc/66/41/33/516664133.db2.gz LTGLGBSKHARNNN-OLZOCXBDSA-N 1 0 360.277 2.839 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000544298837 516686806 /nfs/dbraw/zinc/68/68/06/516686806.db2.gz GSDGHAAOEQYZJH-ZIAGYGMSSA-N 1 0 364.446 2.666 20 5 FFBDRO O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000513723553 516731510 /nfs/dbraw/zinc/73/15/10/516731510.db2.gz FPACIKMKRKPEJN-CYBMUJFWSA-N 1 0 369.368 2.897 20 5 FFBDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000524485595 516734841 /nfs/dbraw/zinc/73/48/41/516734841.db2.gz XESJJWIULRGPPB-TXEJJXNPSA-N 1 0 366.437 2.802 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C[C@@H]1C ZINC000524617634 516769483 /nfs/dbraw/zinc/76/94/83/516769483.db2.gz BPSSAQRVMOCSSG-GJZGRUSLSA-N 1 0 371.441 2.725 20 5 FFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000558514021 516785427 /nfs/dbraw/zinc/78/54/27/516785427.db2.gz YJEBIWUALYXYJA-INIZCTEOSA-N 1 0 364.446 2.732 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000524879800 516856850 /nfs/dbraw/zinc/85/68/50/516856850.db2.gz UGVOEKONXGITFT-HOCLYGCPSA-N 1 0 371.441 2.725 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC[C@@H](C)C[NH+]2CCCCC2)c1 ZINC000544668426 516863936 /nfs/dbraw/zinc/86/39/36/516863936.db2.gz QJQVDKZTEKYZNU-CQSZACIVSA-N 1 0 369.487 2.612 20 5 FFBDRO C[NH+](C)C1(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)Cc2ccccc2C1 ZINC000525032561 516898301 /nfs/dbraw/zinc/89/83/01/516898301.db2.gz UVNNRBACNSPYOY-UHFFFAOYSA-N 1 0 357.385 2.563 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000525053986 516903491 /nfs/dbraw/zinc/90/34/91/516903491.db2.gz TUMQXMIUMCTRDE-JSGCOSHPSA-N 1 0 365.430 2.557 20 5 FFBDRO COCCOC[C@H](C)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000525194862 516955265 /nfs/dbraw/zinc/95/52/65/516955265.db2.gz HAHWUIUPADJKDM-LBPRGKRZSA-N 1 0 351.428 2.859 20 5 FFBDRO CC(C)[C@@H]1CCCC[C@H]1[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000536858084 516956562 /nfs/dbraw/zinc/95/65/62/516956562.db2.gz OHQFBAURSZPADK-LSDHHAIUSA-N 1 0 369.487 2.678 20 5 FFBDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1cc([N+](=O)[O-])cn1C ZINC000525385267 517023725 /nfs/dbraw/zinc/02/37/25/517023725.db2.gz SLPUPTWZJHSQSH-HNNXBMFYSA-N 1 0 356.426 2.670 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCC[C@H](C)[NH+]2CCCCC2)cc1C ZINC000541388917 517023914 /nfs/dbraw/zinc/02/39/14/517023914.db2.gz DBTPMMSCZLBICH-HNNXBMFYSA-N 1 0 369.487 2.754 20 5 FFBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000541393672 517029810 /nfs/dbraw/zinc/02/98/10/517029810.db2.gz MBEDYKOVRURWSJ-NSHDSACASA-N 1 0 355.847 2.693 20 5 FFBDRO CS[C@@H]1CN(C(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)C[C@@H]1[NH+]1CCCC1 ZINC000562403373 517083241 /nfs/dbraw/zinc/08/32/41/517083241.db2.gz IASUYBDCAIMDSK-XOKHGSTOSA-N 1 0 363.483 2.737 20 5 FFBDRO CC[NH+](CC)[C@@H]1CCN(c2ncc([N+](=O)[O-])c(C)c2Br)C1 ZINC000541575880 517119467 /nfs/dbraw/zinc/11/94/67/517119467.db2.gz INSMDUFTJORQPE-LLVKDONJSA-N 1 0 357.252 2.981 20 5 FFBDRO C[C@@H]([NH2+]C(C)(C)c1cnn(C)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000545293283 517156891 /nfs/dbraw/zinc/15/68/91/517156891.db2.gz QVUCFJGBCOFUQS-SNVBAGLBSA-N 1 0 365.821 2.834 20 5 FFBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000532900623 517192314 /nfs/dbraw/zinc/19/23/14/517192314.db2.gz JKDNAZAJLHQXNX-LLVKDONJSA-N 1 0 370.247 2.817 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C ZINC000552338772 517204943 /nfs/dbraw/zinc/20/49/43/517204943.db2.gz PCEYXUQVPCDCNF-MGNMYUMUSA-N 1 0 374.485 2.637 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000532988299 517239975 /nfs/dbraw/zinc/23/99/75/517239975.db2.gz ACCDSAPUAUPOAG-OLZOCXBDSA-N 1 0 368.865 2.991 20 5 FFBDRO CC(C)(O)C[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)C1CCOCC1 ZINC000537635794 517274079 /nfs/dbraw/zinc/27/40/79/517274079.db2.gz VXISIYKSQDXSKX-UHFFFAOYSA-N 1 0 374.384 2.948 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)n1 ZINC000541935114 517299297 /nfs/dbraw/zinc/29/92/97/517299297.db2.gz GOVPMIPYVVCHEP-CALCHBBNSA-N 1 0 361.490 2.601 20 5 FFBDRO C[NH+]1CCN(Cc2cccc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3)c2)CC1 ZINC000520231084 517311090 /nfs/dbraw/zinc/31/10/90/517311090.db2.gz YFKSVRWBGDWDPT-UHFFFAOYSA-N 1 0 372.400 2.734 20 5 FFBDRO CCc1ccc([C@@H](CO)[NH2+]CCOc2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC000541980836 517319425 /nfs/dbraw/zinc/31/94/25/517319425.db2.gz HUWLLACVHPNHAX-QGZVFWFLSA-N 1 0 360.410 2.868 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+]CC(C)(C)C(F)(F)F)cc1[N+](=O)[O-] ZINC000548972759 517334327 /nfs/dbraw/zinc/33/43/27/517334327.db2.gz KHSBEDYTXDTRAN-UHFFFAOYSA-N 1 0 364.320 2.825 20 5 FFBDRO CNc1ccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1[N+](=O)[O-] ZINC000533312692 517401306 /nfs/dbraw/zinc/40/13/06/517401306.db2.gz NQNRUCONUIBKRL-YOEHRIQHSA-N 1 0 358.442 2.725 20 5 FFBDRO CCCC[C@@H](C)[C@@H](C)[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000515909234 517508885 /nfs/dbraw/zinc/50/88/85/517508885.db2.gz LEFDGXAKFBDHTJ-ZIAGYGMSSA-N 1 0 357.476 2.678 20 5 FFBDRO CC[C@H]([NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)C1CCOCC1 ZINC000538323676 517565202 /nfs/dbraw/zinc/56/52/02/517565202.db2.gz QWFMOSYGBNOTPW-HNNXBMFYSA-N 1 0 363.414 2.688 20 5 FFBDRO C[NH+](C)[C@@H](CNc1ncnc2cccc([N+](=O)[O-])c21)Cc1ccccc1 ZINC000542509108 517603388 /nfs/dbraw/zinc/60/33/88/517603388.db2.gz KBWUIGRURLYVDF-OAHLLOKOSA-N 1 0 351.410 2.545 20 5 FFBDRO CC(C)(C)[C@H]1CCC[N@@H+]([C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000527284012 517615255 /nfs/dbraw/zinc/61/52/55/517615255.db2.gz VFHQADJVHYJKGF-XJKSGUPXSA-N 1 0 359.426 2.985 20 5 FFBDRO CC[NH+]1CCC(CCNC(=O)CCOc2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000538427029 517615895 /nfs/dbraw/zinc/61/58/95/517615895.db2.gz VRJHFSLQIMFLGR-UHFFFAOYSA-N 1 0 363.458 2.910 20 5 FFBDRO CC(C)c1csc(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)n1 ZINC000521228076 517660344 /nfs/dbraw/zinc/66/03/44/517660344.db2.gz JDAAMRJNCQBVPB-ZDUSSCGKSA-N 1 0 351.428 2.704 20 5 FFBDRO O=C1NCCc2ccc(C[NH2+][C@H](Cc3ccccc3[N+](=O)[O-])C3CC3)cc21 ZINC000542665582 517676477 /nfs/dbraw/zinc/67/64/77/517676477.db2.gz GXMLWBNHMLDNSI-LJQANCHMSA-N 1 0 365.433 2.992 20 5 FFBDRO CCN(CCC[NH+]1CCCC1)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000521318205 517688682 /nfs/dbraw/zinc/68/86/82/517688682.db2.gz QLBDEMTYGBXJDH-UHFFFAOYSA-N 1 0 351.447 2.920 20 5 FFBDRO C[C@H]1C[C@@H](Nc2cccc(C(N)=O)c2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000553446418 517718656 /nfs/dbraw/zinc/71/86/56/517718656.db2.gz FQIIDKXWSVQGCJ-DZGCQCFKSA-N 1 0 354.410 2.769 20 5 FFBDRO C[C@@H]1C[C@@H](Nc2cccc(C(N)=O)c2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000553446420 517718999 /nfs/dbraw/zinc/71/89/99/517718999.db2.gz FQIIDKXWSVQGCJ-UKRRQHHQSA-N 1 0 354.410 2.769 20 5 FFBDRO [NH3+][C@H](CC1CCCCC1)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000521538541 517768189 /nfs/dbraw/zinc/76/81/89/517768189.db2.gz CFTWMVOZAKPHRN-GOSISDBHSA-N 1 0 360.458 2.541 20 5 FFBDRO Cn1cc(C[N@@H+]2CCC[C@H]3COCC[C@H]32)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000538791496 517782784 /nfs/dbraw/zinc/78/27/84/517782784.db2.gz ADRPXEZOQUWHEJ-MAUKXSAKSA-N 1 0 356.426 2.996 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])c(NCc2cccc(C(=O)NCC[NH+](C)C)c2)n1 ZINC000542864962 517789133 /nfs/dbraw/zinc/78/91/33/517789133.db2.gz PPGFJBBQKIWBIY-UHFFFAOYSA-N 1 0 371.441 2.510 20 5 FFBDRO O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000542880370 517794052 /nfs/dbraw/zinc/79/40/52/517794052.db2.gz CFSAKURDWOCCSW-GFCCVEGCSA-N 1 0 355.341 2.507 20 5 FFBDRO CCO[C@@H]1C[C@@H](Nc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)[C@@H]1n1cccn1 ZINC000556996038 517797098 /nfs/dbraw/zinc/79/70/98/517797098.db2.gz WPCREPWWSLGTDR-QRVBRYPASA-N 1 0 367.409 2.900 20 5 FFBDRO O=C(NCC[NH+]1CCCCCC1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000542920679 517816386 /nfs/dbraw/zinc/81/63/86/517816386.db2.gz SKXBRTYIXREIIP-UHFFFAOYSA-N 1 0 357.357 2.802 20 5 FFBDRO O=C(NC1CC[NH+](Cc2ccncc2)CC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000521846926 517870493 /nfs/dbraw/zinc/87/04/93/517870493.db2.gz SKFYTCSCFZHQNR-UHFFFAOYSA-N 1 0 358.373 2.523 20 5 FFBDRO Cn1ccnc1[C@@H](NCC1(CCO)CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000560528536 517873626 /nfs/dbraw/zinc/87/36/26/517873626.db2.gz HNSXWSJKKAVXLV-KRWDZBQOSA-N 1 0 358.442 2.950 20 5 FFBDRO CS(=O)(=O)[C@H]1CCC[C@H]([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000560533527 517879463 /nfs/dbraw/zinc/87/94/63/517879463.db2.gz MZKZTMZYSHPINP-ZFWWWQNUSA-N 1 0 365.455 2.564 20 5 FFBDRO COc1cc(C(=O)N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)cc([N+](=O)[O-])c1C ZINC000553768739 517892949 /nfs/dbraw/zinc/89/29/49/517892949.db2.gz SZTYJEMKCCNRTC-DVOMOZLQSA-N 1 0 361.442 2.714 20 5 FFBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000553785598 517904014 /nfs/dbraw/zinc/90/40/14/517904014.db2.gz GXIBDXRTQQWTOC-PMUMKWKESA-N 1 0 372.469 2.971 20 5 FFBDRO CC(C)C[N@@H+]1CCO[C@H](CNc2ccc([N+](=O)[O-])cc2OC(F)F)C1 ZINC000546895716 517911956 /nfs/dbraw/zinc/91/19/56/517911956.db2.gz IMBOIIFSFXWOBK-CYBMUJFWSA-N 1 0 359.373 2.965 20 5 FFBDRO O=C(C[NH2+][C@@H](CCO)c1ccccc1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000539232309 517958475 /nfs/dbraw/zinc/95/84/75/517958475.db2.gz FNCJPTCUYLIUJQ-AWEZNQCLSA-N 1 0 363.801 2.900 20 5 FFBDRO C[C@H](CO)[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1CCCC1 ZINC000553907372 517963888 /nfs/dbraw/zinc/96/38/88/517963888.db2.gz ZWZSXVWQIZVQHJ-LLVKDONJSA-N 1 0 355.822 2.812 20 5 FFBDRO Cn1cnc(CC[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)n1 ZINC000539530417 518090639 /nfs/dbraw/zinc/09/06/39/518090639.db2.gz SSZJGAJXZPYWMI-UHFFFAOYSA-N 1 0 361.789 2.969 20 5 FFBDRO C[NH+](C)Cc1ccc(CNC(=O)NCc2ccc([N+](=O)[O-])cc2)cc1F ZINC000534977436 518105049 /nfs/dbraw/zinc/10/50/49/518105049.db2.gz TZXWRDAJBSULBW-UHFFFAOYSA-N 1 0 360.389 2.795 20 5 FFBDRO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000547421413 518130205 /nfs/dbraw/zinc/13/02/05/518130205.db2.gz DXXOWBCDIGGVOL-KRWDZBQOSA-N 1 0 358.442 2.820 20 5 FFBDRO CCNc1ccc(C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000535225746 518167974 /nfs/dbraw/zinc/16/79/74/518167974.db2.gz NTIBBJHRBYFZAE-MRXNPFEDSA-N 1 0 360.458 2.831 20 5 FFBDRO CC[NH+]1CCC(CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000566829028 518219604 /nfs/dbraw/zinc/21/96/04/518219604.db2.gz XRMZJGUUKDWYBX-UHFFFAOYSA-N 1 0 351.422 2.860 20 5 FFBDRO Cc1cccc(O[C@H](C)C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000569687582 518240600 /nfs/dbraw/zinc/24/06/00/518240600.db2.gz XYDGLHTXEFVQTM-CVEARBPZSA-N 1 0 360.410 2.700 20 5 FFBDRO O=[N+]([O-])c1cnc2ccccc2c1N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000563975862 518255190 /nfs/dbraw/zinc/25/51/90/518255190.db2.gz JVSCREJXQKVKOZ-HNNXBMFYSA-N 1 0 356.426 2.834 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@H]1CCCC[C@@H]1N1CCOCC1 ZINC000569790595 518291885 /nfs/dbraw/zinc/29/18/85/518291885.db2.gz FCHYGLWDTHCJMB-HOTGVXAUSA-N 1 0 353.850 2.981 20 5 FFBDRO O=C(CCN1CC[NH2+]C[C@@H]1c1cccc(F)c1)Nc1ccccc1[N+](=O)[O-] ZINC000566974527 518292459 /nfs/dbraw/zinc/29/24/59/518292459.db2.gz YRUYUYBLFZTONH-GOSISDBHSA-N 1 0 372.400 2.709 20 5 FFBDRO O=[N+]([O-])c1ccccc1N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000584357221 518300580 /nfs/dbraw/zinc/30/05/80/518300580.db2.gz XHAOQOFVXXVHEW-LJQANCHMSA-N 1 0 366.465 2.991 20 5 FFBDRO CO[C@@H](C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000569803793 518300927 /nfs/dbraw/zinc/30/09/27/518300927.db2.gz DEXXRDXFGOPMCP-MRXNPFEDSA-N 1 0 357.410 2.771 20 5 FFBDRO CC(C)[NH2+]CCCNC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000567047141 518328360 /nfs/dbraw/zinc/32/83/60/518328360.db2.gz MCLZVUGZJCBYOO-OAHLLOKOSA-N 1 0 362.474 2.949 20 5 FFBDRO Cc1cc(NCC2(S(C)(=O)=O)CCCC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000575906346 518337556 /nfs/dbraw/zinc/33/75/56/518337556.db2.gz VOYXIYJILMFRMV-UHFFFAOYSA-N 1 0 363.439 2.643 20 5 FFBDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000572807681 518369231 /nfs/dbraw/zinc/36/92/31/518369231.db2.gz DOLROZRNBLPMFF-JTQLQIEISA-N 1 0 358.236 2.816 20 5 FFBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@@H](C)C1 ZINC000584547549 518393617 /nfs/dbraw/zinc/39/36/17/518393617.db2.gz HGLQJOMBIQMINR-XWCIJXRUSA-N 1 0 367.396 2.604 20 5 FFBDRO COc1cccc([C@H]2C[C@H]([NH2+]C[C@@H](O)COc3ccccc3[N+](=O)[O-])C2)c1 ZINC000581662424 518395992 /nfs/dbraw/zinc/39/59/92/518395992.db2.gz JPEYDMMTUGEBGV-BRWVUGGUSA-N 1 0 372.421 2.879 20 5 FFBDRO COc1cccc(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])c1OC ZINC000564470753 518466260 /nfs/dbraw/zinc/46/62/60/518466260.db2.gz YJZJTPFNMMZESP-UHFFFAOYSA-N 1 0 359.382 2.730 20 5 FFBDRO CC[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@H]1CCOC(C)(C)C1 ZINC000573142701 518524529 /nfs/dbraw/zinc/52/45/29/518524529.db2.gz HGFJWUSNYGVJAS-INIZCTEOSA-N 1 0 361.442 2.763 20 5 FFBDRO O=[N+]([O-])c1ccc(NCc2ccc3c[nH+]cn3c2)c(F)c1N1CCOCC1 ZINC000573338603 518619777 /nfs/dbraw/zinc/61/97/77/518619777.db2.gz SMFICFBJDSSVOJ-UHFFFAOYSA-N 1 0 371.372 2.830 20 5 FFBDRO CC[NH+](CC)CC[C@H](CO)Nc1ccc([N+](=O)[O-])cc1Br ZINC000573401357 518647045 /nfs/dbraw/zinc/64/70/45/518647045.db2.gz MTBXKRYNDXRFNC-LLVKDONJSA-N 1 0 360.252 2.862 20 5 FFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000579376483 518651361 /nfs/dbraw/zinc/65/13/61/518651361.db2.gz SPDCCAOKOPDTNM-CTNGQTDRSA-N 1 0 367.449 2.809 20 5 FFBDRO Cc1cc(C)cc(OC[C@H](O)C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1 ZINC000573480598 518687181 /nfs/dbraw/zinc/68/71/81/518687181.db2.gz PQEULUXBJLRGMC-OAHLLOKOSA-N 1 0 370.409 2.617 20 5 FFBDRO C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)C[N@@H+]1C1CC1 ZINC000582311530 518692868 /nfs/dbraw/zinc/69/28/68/518692868.db2.gz PCEAFIZSXZNNDI-OLZOCXBDSA-N 1 0 364.421 2.608 20 5 FFBDRO O=C(NCC[C@H]1CCC[NH2+]1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000579471743 518697720 /nfs/dbraw/zinc/69/77/20/518697720.db2.gz WDKXDCADNIEIBW-CYBMUJFWSA-N 1 0 371.387 2.831 20 5 FFBDRO C[C@H]1C[C@H](C)CN(c2ccc(C(=O)NCC3([NH3+])CCC3)cc2[N+](=O)[O-])C1 ZINC000567815333 518727840 /nfs/dbraw/zinc/72/78/40/518727840.db2.gz RYSXPFGFUWXAJM-KBPBESRZSA-N 1 0 360.458 2.688 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2C[C@H]2c2ccccc2F)cc1 ZINC000579583486 518750575 /nfs/dbraw/zinc/75/05/75/518750575.db2.gz WNQWQTAKXLLWJT-DOTOQJQBSA-N 1 0 364.398 2.653 20 5 FFBDRO COc1cc(CN(C)[C@H]2CC[NH2+]C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000567865081 518756251 /nfs/dbraw/zinc/75/62/51/518756251.db2.gz DDZJUCQXQKJAQS-SFHVURJKSA-N 1 0 371.437 2.976 20 5 FFBDRO C[N@@H+]1CCC[C@H](CNC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000573633609 518759844 /nfs/dbraw/zinc/75/98/44/518759844.db2.gz MFEREMLEOWIZLC-LLVKDONJSA-N 1 0 374.363 2.755 20 5 FFBDRO C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3CCc4c3cccc4[N+](=O)[O-])cn2)CCO1 ZINC000579610773 518765792 /nfs/dbraw/zinc/76/57/92/518765792.db2.gz CLICMPPTHNJVNX-RDTXWAMCSA-N 1 0 368.437 2.992 20 5 FFBDRO CCn1nccc1N1CCC[C@@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C1=O ZINC000588582248 518789430 /nfs/dbraw/zinc/78/94/30/518789430.db2.gz BVJDGHQORYLKNZ-KQQSKNTNSA-N 1 0 369.425 2.610 20 5 FFBDRO CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C12CCCC2 ZINC000582513453 518789631 /nfs/dbraw/zinc/78/96/31/518789631.db2.gz FNGUOAOTVBKQQT-ZTFGCOKTSA-N 1 0 364.442 2.662 20 5 FFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC[N@H+](CC2CCC2)CC1 ZINC000582572394 518818186 /nfs/dbraw/zinc/81/81/86/518818186.db2.gz LXGFBLJUOYRTLD-UHFFFAOYSA-N 1 0 361.442 2.942 20 5 FFBDRO CC[C@H](C)[NH2+][C@@H](CNC(=O)COc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000588765917 518824783 /nfs/dbraw/zinc/82/47/83/518824783.db2.gz FHGQHOUTKHLRPW-KBPBESRZSA-N 1 0 361.398 2.812 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)cc1SC ZINC000576988056 518862089 /nfs/dbraw/zinc/86/20/89/518862089.db2.gz AAWVXRBPYYCPOS-HAQNSBGRSA-N 1 0 367.471 2.820 20 5 FFBDRO O=C(c1ccncc1)N1CCC([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000570985033 518871897 /nfs/dbraw/zinc/87/18/97/518871897.db2.gz BOUDGOCTIDBBSG-SFHVURJKSA-N 1 0 366.421 2.872 20 5 FFBDRO CN1CC[NH+](CCCC[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000577044363 518888898 /nfs/dbraw/zinc/88/88/98/518888898.db2.gz FTFPVKBCXBLWIS-IBGZPJMESA-N 1 0 360.502 2.934 20 5 FFBDRO CCC[C@@H](O)[C@@H](CO)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000579936440 518928192 /nfs/dbraw/zinc/92/81/92/518928192.db2.gz RZYQNHHCPCCYIG-HZPDHXFCSA-N 1 0 350.440 2.935 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000582807917 518932075 /nfs/dbraw/zinc/93/20/75/518932075.db2.gz MGJINXAHSZODNP-BZNIZROVSA-N 1 0 355.385 2.604 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000579948488 518934211 /nfs/dbraw/zinc/93/42/11/518934211.db2.gz HMOPAJVLQCWSAF-CYBMUJFWSA-N 1 0 363.414 2.575 20 5 FFBDRO COC(=O)C[C@@H]1COCCN1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000589208422 518951734 /nfs/dbraw/zinc/95/17/34/518951734.db2.gz HLHFYUSHOQTMPN-OAHLLOKOSA-N 1 0 360.366 2.619 20 5 FFBDRO COC(=O)c1cc(C(C)(C)[NH2+]CCCOc2ccc([N+](=O)[O-])cc2)no1 ZINC000589279400 518971865 /nfs/dbraw/zinc/97/18/65/518971865.db2.gz HQPCSXCNJOQDHD-UHFFFAOYSA-N 1 0 363.370 2.663 20 5 FFBDRO CC(C)Oc1ccccc1C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000565476293 518974227 /nfs/dbraw/zinc/97/42/27/518974227.db2.gz MXCKRMIHVISGGM-QGZVFWFLSA-N 1 0 360.410 2.912 20 5 FFBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]C[C@@]1(CO)C[C@@H]1c1ccccc1)OCCO2 ZINC000589325089 518981568 /nfs/dbraw/zinc/98/15/68/518981568.db2.gz LDTMJKQUXJJEQW-OXQOHEQNSA-N 1 0 370.405 2.622 20 5 FFBDRO Cc1cccc2c1OC[C@H]([NH2+]Cc1cc3c(cc1[N+](=O)[O-])OCCO3)C2 ZINC000589327588 518982225 /nfs/dbraw/zinc/98/22/25/518982225.db2.gz YKKLHAIIWGSETI-OAHLLOKOSA-N 1 0 356.378 2.768 20 5 FFBDRO [NH3+]C[C@H]1CC[C@H](CNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000571326955 519040644 /nfs/dbraw/zinc/04/06/44/519040644.db2.gz RPCUFSKUJOUDNM-WKILWMFISA-N 1 0 374.485 2.693 20 5 FFBDRO Cn1ncc2ccc(C[NH2+]Cc3cc4c(cc3[N+](=O)[O-])OCCO4)cc21 ZINC000589736969 519074013 /nfs/dbraw/zinc/07/40/13/519074013.db2.gz URMJWAGUHAQCNR-UHFFFAOYSA-N 1 0 354.366 2.543 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000577452198 519084164 /nfs/dbraw/zinc/08/41/64/519084164.db2.gz FGADRYYACIDQLZ-QGZVFWFLSA-N 1 0 361.442 2.620 20 5 FFBDRO C[NH+](C)C1(CN[C@@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)CCOCC1 ZINC000565719843 519098782 /nfs/dbraw/zinc/09/87/82/519098782.db2.gz NBBZVEBDJIMGRM-AWEZNQCLSA-N 1 0 361.364 2.899 20 5 FFBDRO CC(C)CC[NH+]1CCC(CNc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC1 ZINC000583221115 519135915 /nfs/dbraw/zinc/13/59/15/519135915.db2.gz RTGUZAIPCSNNCY-UHFFFAOYSA-N 1 0 373.457 2.836 20 5 FFBDRO COc1ccc(CN(C)[C@H]2CC[NH2+]C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000568632044 519139178 /nfs/dbraw/zinc/13/91/78/519139178.db2.gz HDFVGVGNDOPNDU-SFHVURJKSA-N 1 0 371.437 2.976 20 5 FFBDRO CNc1ccc(C(=O)N[C@H](C[NH+](C)C)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000568682802 519162196 /nfs/dbraw/zinc/16/21/96/519162196.db2.gz CIWSHOUWSNXORM-MRXNPFEDSA-N 1 0 360.389 2.808 20 5 FFBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000590153328 519162813 /nfs/dbraw/zinc/16/28/13/519162813.db2.gz YUCURSHSSMGASF-HNNXBMFYSA-N 1 0 373.375 2.910 20 5 FFBDRO CC(C)(CO)[NH+]1CCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000590167397 519165737 /nfs/dbraw/zinc/16/57/37/519165737.db2.gz DLZRFARIQWHFPQ-UHFFFAOYSA-N 1 0 361.364 2.502 20 5 FFBDRO COc1cc(Cl)ccc1C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000568740266 519191826 /nfs/dbraw/zinc/19/18/26/519191826.db2.gz DJKRAZQYKYBEEF-CQSZACIVSA-N 1 0 366.801 2.786 20 5 FFBDRO CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC000568853821 519250076 /nfs/dbraw/zinc/25/00/76/519250076.db2.gz VTAOPSBZLIJMOQ-UHFFFAOYSA-N 1 0 370.457 2.938 20 5 FFBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[C@H]1[NH+](C)C ZINC000590536991 519257968 /nfs/dbraw/zinc/25/79/68/519257968.db2.gz WNLWYFOYBRIPDV-ZIAGYGMSSA-N 1 0 370.247 2.878 20 5 FFBDRO C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000590554534 519264568 /nfs/dbraw/zinc/26/45/68/519264568.db2.gz DIVUWCUSCLGKCP-GFCCVEGCSA-N 1 0 367.833 2.574 20 5 FFBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000583490542 519276462 /nfs/dbraw/zinc/27/64/62/519276462.db2.gz KZQLCXXFMSXGOX-CHWSQXEVSA-N 1 0 373.862 2.543 20 5 FFBDRO [NH3+][C@H]1CCO[C@H](C2CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4o3)CC2)C1 ZINC000580645448 519282725 /nfs/dbraw/zinc/28/27/25/519282725.db2.gz DQFNLWKFKZHMDN-YOEHRIQHSA-N 1 0 373.409 2.700 20 5 FFBDRO O=[N+]([O-])c1ccc2c(ccnc2N2CCC[C@@H]([NH+]3CCOCC3)CC2)c1 ZINC000583510165 519287860 /nfs/dbraw/zinc/28/78/60/519287860.db2.gz JCDWPWKEBSHOBS-MRXNPFEDSA-N 1 0 356.426 2.834 20 5 FFBDRO C[C@H](C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1c(Cl)cccc1Cl ZINC000566109913 519306477 /nfs/dbraw/zinc/30/64/77/519306477.db2.gz FBCVHVINGXEDNV-PWSUYJOCSA-N 1 0 373.240 2.852 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2C[C@@H]2c2cccc(F)c2)cc1 ZINC000568976108 519313535 /nfs/dbraw/zinc/31/35/35/519313535.db2.gz SPTZFUZZOKAHHU-IAGOWNOFSA-N 1 0 364.398 2.653 20 5 FFBDRO CSc1cccc(F)c1C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000566130530 519321473 /nfs/dbraw/zinc/32/14/73/519321473.db2.gz QGYXYGJUIHGXJR-GFCCVEGCSA-N 1 0 366.414 2.985 20 5 FFBDRO CN(CC(=O)N[C@@H](C[NH+](C)C)c1ccc(F)cc1)c1ccccc1[N+](=O)[O-] ZINC000571912216 519343222 /nfs/dbraw/zinc/34/32/22/519343222.db2.gz HMQOGIPGZJWLID-INIZCTEOSA-N 1 0 374.416 2.589 20 5 FFBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H](CN1CCOCC1)c1ccc(C)cc1 ZINC000578257972 519499109 /nfs/dbraw/zinc/49/91/09/519499109.db2.gz QEJUTXSRJHPVSG-KRWDZBQOSA-N 1 0 373.457 2.913 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCCC[C@H]1CC[NH3+] ZINC000581126257 519534936 /nfs/dbraw/zinc/53/49/36/519534936.db2.gz ZPGOHASKTGQYLN-YPMHNXCESA-N 1 0 355.822 2.745 20 5 FFBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+][C@@H]2CCSC2)c1 ZINC000566709284 519619033 /nfs/dbraw/zinc/61/90/33/519619033.db2.gz ZMFDPDCPXDDDAO-SNVBAGLBSA-N 1 0 364.208 2.795 20 5 FFBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCCN(c2cc[nH+]cc2)CC1 ZINC000602847994 519924147 /nfs/dbraw/zinc/92/41/47/519924147.db2.gz XCVOOHGKDIIILA-HNNXBMFYSA-N 1 0 369.425 2.529 20 5 FFBDRO CCC(C)(C)[NH+]1CCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000594389034 519933818 /nfs/dbraw/zinc/93/38/18/519933818.db2.gz DGASPKAYXHYONF-UHFFFAOYSA-N 1 0 371.441 2.727 20 5 FFBDRO CCC(C)(C)[NH+]1CCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000594389741 519934433 /nfs/dbraw/zinc/93/44/33/519934433.db2.gz MSSDIZBWDLEVSJ-UHFFFAOYSA-N 1 0 358.442 2.951 20 5 FFBDRO O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594419217 519954319 /nfs/dbraw/zinc/95/43/19/519954319.db2.gz PIKLCMFPNBITGP-IAGOWNOFSA-N 1 0 359.426 2.691 20 5 FFBDRO CC1([NH+]2CCCC2)CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000602948567 519989548 /nfs/dbraw/zinc/98/95/48/519989548.db2.gz AICYGQAASXQIOC-UHFFFAOYSA-N 1 0 360.458 2.874 20 5 FFBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000599999205 519993935 /nfs/dbraw/zinc/99/39/35/519993935.db2.gz MODAPRLJJDCVEO-NSHDSACASA-N 1 0 370.247 2.912 20 5 FFBDRO C[C@H]1CCCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])[C@H]1C[NH3+] ZINC000591676394 519994494 /nfs/dbraw/zinc/99/44/94/519994494.db2.gz PGIGJKWUXYGWHX-ZANVPECISA-N 1 0 356.220 2.557 20 5 FFBDRO CCC1([NH+](C)C)CCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000602967493 519998339 /nfs/dbraw/zinc/99/83/39/519998339.db2.gz JQVCIVGAFDXTQB-UHFFFAOYSA-N 1 0 368.865 2.993 20 5 FFBDRO Cc1ccc(C[NH2+]Cc2ccc(C(=O)N3CCOCC3)cc2)cc1[N+](=O)[O-] ZINC000591835265 520057341 /nfs/dbraw/zinc/05/73/41/520057341.db2.gz NVQAJMSGRFZWRE-UHFFFAOYSA-N 1 0 369.421 2.665 20 5 FFBDRO COc1ccc(-c2ccc(C[N@H+](C)[C@@H]3CCC(=O)N(C)C3)o2)c([N+](=O)[O-])c1 ZINC000600178258 520103422 /nfs/dbraw/zinc/10/34/22/520103422.db2.gz JOFYFVMGMHTNSD-CYBMUJFWSA-N 1 0 373.409 2.916 20 5 FFBDRO O=C(CC[NH2+]Cc1cnc(C(F)(F)F)nc1)Nc1ccccc1[N+](=O)[O-] ZINC000594718298 520109869 /nfs/dbraw/zinc/10/98/69/520109869.db2.gz NLOKYJVEQDFWQN-UHFFFAOYSA-N 1 0 369.303 2.522 20 5 FFBDRO O=C(NCC12CCC[NH+]1CCC2)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000597587027 520121282 /nfs/dbraw/zinc/12/12/82/520121282.db2.gz MPLNPDRLZSOZPA-UHFFFAOYSA-N 1 0 368.231 2.716 20 5 FFBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000609018101 520177929 /nfs/dbraw/zinc/17/79/29/520177929.db2.gz PHZFNZAWZVBBCY-QGZVFWFLSA-N 1 0 356.426 2.890 20 5 FFBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000594853964 520190672 /nfs/dbraw/zinc/19/06/72/520190672.db2.gz BQEZYWSLQKOGPS-CQSZACIVSA-N 1 0 367.471 2.589 20 5 FFBDRO CO[C@H](C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CCOC1 ZINC000594948862 520224604 /nfs/dbraw/zinc/22/46/04/520224604.db2.gz AVBKHQYMYAZTDH-XJKSGUPXSA-N 1 0 363.439 2.859 20 5 FFBDRO CC1(C)CN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000609193362 520227468 /nfs/dbraw/zinc/22/74/68/520227468.db2.gz CJBFQYAKSFKBKC-UHFFFAOYSA-N 1 0 368.437 2.795 20 5 FFBDRO C[S@](=O)[C@H]1CCC[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000594962576 520230700 /nfs/dbraw/zinc/23/07/00/520230700.db2.gz RTXKKJPOROWSJV-FVLHQSPCSA-N 1 0 362.398 2.976 20 5 FFBDRO COc1cc(CNCc2c(C3CCC3)cnn2C)c([N+](=O)[O-])cc1OC ZINC000594982905 520241898 /nfs/dbraw/zinc/24/18/98/520241898.db2.gz ILRIWYFHVJUXQA-UHFFFAOYSA-N 1 0 360.414 2.903 20 5 FFBDRO COc1cc(C[NH2+][C@H]2C[C@@H](O)C23CCC3)c([N+](=O)[O-])cc1OC(F)F ZINC000594987094 520244820 /nfs/dbraw/zinc/24/48/20/520244820.db2.gz IRDVLHBOUMMFQE-UONOGXRCSA-N 1 0 358.341 2.598 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H](C(C)C)C1(CO)CC=CC1 ZINC000592178075 520246752 /nfs/dbraw/zinc/24/67/52/520246752.db2.gz OPLJCGXMRXSQAP-GOSISDBHSA-N 1 0 361.442 2.785 20 5 FFBDRO C[C@H]1COCC[N@@H+]1C1CCN(c2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000603400535 520247098 /nfs/dbraw/zinc/24/70/98/520247098.db2.gz HWLONMRBLITKDZ-AWEZNQCLSA-N 1 0 356.426 2.833 20 5 FFBDRO C[C@@H]1COCC[N@@H+]1C1CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000603403887 520249085 /nfs/dbraw/zinc/24/90/85/520249085.db2.gz WNHGIWSITJOZAR-CQSZACIVSA-N 1 0 356.426 2.833 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000595003044 520250482 /nfs/dbraw/zinc/25/04/82/520250482.db2.gz BMEQGJBVWQLXHP-QLFBSQMISA-N 1 0 351.447 2.753 20 5 FFBDRO COc1cc(C[NH2+]C[C@H]2CCN2Cc2ccccc2)c([N+](=O)[O-])cc1O ZINC000594999189 520251277 /nfs/dbraw/zinc/25/12/77/520251277.db2.gz PPCJQAGTRFEYGA-MRXNPFEDSA-N 1 0 357.410 2.673 20 5 FFBDRO CNC(=O)COc1cccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)c1 ZINC000595010271 520255431 /nfs/dbraw/zinc/25/54/31/520255431.db2.gz ASKOOFQBFSTNTQ-ZDUSSCGKSA-N 1 0 373.409 2.579 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000595048853 520270340 /nfs/dbraw/zinc/27/03/40/520270340.db2.gz RQAZIEOAYOASLM-HUUCEWRRSA-N 1 0 351.447 2.755 20 5 FFBDRO CS(=O)(=O)CC1(CC[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000595059683 520273732 /nfs/dbraw/zinc/27/37/32/520273732.db2.gz HKKYKBDDSZFAFD-MRXNPFEDSA-N 1 0 352.456 2.777 20 5 FFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCC[C@H]([S@](C)=O)C1 ZINC000595059541 520274346 /nfs/dbraw/zinc/27/43/46/520274346.db2.gz FBVVKMPQQJHCKA-WPBQLTRPSA-N 1 0 367.471 2.591 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000597859792 520286100 /nfs/dbraw/zinc/28/61/00/520286100.db2.gz YEHGDCGCULPVAX-LLVKDONJSA-N 1 0 370.247 2.960 20 5 FFBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000595118780 520303247 /nfs/dbraw/zinc/30/32/47/520303247.db2.gz VFGORKQBVOEYOQ-CZUORRHYSA-N 1 0 369.487 2.685 20 5 FFBDRO Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H](C)[C@H]2CCC[NH3+])cc1[N+](=O)[O-] ZINC000595118508 520303535 /nfs/dbraw/zinc/30/35/35/520303535.db2.gz RFMFLRWQOLUNHY-IUODEOHRSA-N 1 0 369.487 2.740 20 5 FFBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000609506492 520336184 /nfs/dbraw/zinc/33/61/84/520336184.db2.gz BHLMZTDIMFNVHX-ALOPSCKCSA-N 1 0 368.437 2.859 20 5 FFBDRO CC[C@@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)C(=O)NCc1cccs1 ZINC000592374476 520356670 /nfs/dbraw/zinc/35/66/70/520356670.db2.gz JKXLJYMOFFTWBP-CQSZACIVSA-N 1 0 363.439 2.850 20 5 FFBDRO CCOc1ccc([C@H](C)[NH2+]CC(C)(C)[C@]2(O)CCOC2)cc1[N+](=O)[O-] ZINC000592398155 520368858 /nfs/dbraw/zinc/36/88/58/520368858.db2.gz QBFGKQYFQKUEMI-UGSOOPFHSA-N 1 0 352.431 2.822 20 5 FFBDRO CCOc1cc(CN2CCC[N@H+](C[C@H]3CCCO3)CC2)ccc1[N+](=O)[O-] ZINC000617194781 520376922 /nfs/dbraw/zinc/37/69/22/520376922.db2.gz OLQDVQUCSJMFBJ-QGZVFWFLSA-N 1 0 363.458 2.680 20 5 FFBDRO Cc1c(CC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)cccc1[N+](=O)[O-] ZINC000595267606 520380240 /nfs/dbraw/zinc/38/02/40/520380240.db2.gz FVLPQLOAOSDLLU-QZTJIDSGSA-N 1 0 371.412 2.847 20 5 FFBDRO O=C(CN1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000592476030 520404875 /nfs/dbraw/zinc/40/48/75/520404875.db2.gz LPJUCLDLOUUNAY-TZMCWYRMSA-N 1 0 366.849 2.651 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2noc(CN3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)n2)cc1 ZINC000592478411 520406588 /nfs/dbraw/zinc/40/65/88/520406588.db2.gz APRVUNOHHGYVIQ-GDBMZVCRSA-N 1 0 357.414 2.609 20 5 FFBDRO C[C@H](c1ccccc1)[C@@H](CO)[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000609708079 520410807 /nfs/dbraw/zinc/41/08/07/520410807.db2.gz CIYDBIJSENUXIE-FZKQIMNGSA-N 1 0 358.394 2.716 20 5 FFBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000603983592 520422486 /nfs/dbraw/zinc/42/24/86/520422486.db2.gz ZJULWDFLJVDNPK-OKILXGFUSA-N 1 0 369.487 2.550 20 5 FFBDRO CC[NH+](CC)[C@H](CNC(=O)c1ccc([N+](=O)[O-])[nH]1)c1cccc(OC)c1 ZINC000604075316 520442725 /nfs/dbraw/zinc/44/27/25/520442725.db2.gz QDMDYJNHYDVUTC-MRXNPFEDSA-N 1 0 360.414 2.744 20 5 FFBDRO Cc1cccc2c1C[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])CO2 ZINC000600745937 520443472 /nfs/dbraw/zinc/44/34/72/520443472.db2.gz GSHRFAXEGISJNV-CQSZACIVSA-N 1 0 355.394 2.825 20 5 FFBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000592544218 520451514 /nfs/dbraw/zinc/45/15/14/520451514.db2.gz ASRGXDDAWDFQNQ-CMPLNLGQSA-N 1 0 355.847 2.551 20 5 FFBDRO CC[C@@H]1CN(C(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000592544328 520451671 /nfs/dbraw/zinc/45/16/71/520451671.db2.gz BWFRAJPOIJRZOF-DMDPSCGWSA-N 1 0 355.822 2.601 20 5 FFBDRO CC[C@H](C[NH+]1CCCC1)Nc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000609840026 520452109 /nfs/dbraw/zinc/45/21/09/520452109.db2.gz ZIWKQOMZWLVSGB-OAHLLOKOSA-N 1 0 371.441 2.846 20 5 FFBDRO C[NH+](C)[C@H](CNc1ncnc2ccc([N+](=O)[O-])cc21)Cc1ccccc1 ZINC000609849398 520456768 /nfs/dbraw/zinc/45/67/68/520456768.db2.gz QCTQRSYGVXQQQG-INIZCTEOSA-N 1 0 351.410 2.545 20 5 FFBDRO CN(CC1C[NH+](C)C1)C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000598162614 520461489 /nfs/dbraw/zinc/46/14/89/520461489.db2.gz KKGKGZZYYMBXDF-UHFFFAOYSA-N 1 0 368.437 2.841 20 5 FFBDRO Cc1c(NC(=O)CC[NH2+][C@@H](CO)[C@H](C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000613388484 520476006 /nfs/dbraw/zinc/47/60/06/520476006.db2.gz AJCAAOPWQGMTND-KDOFPFPSSA-N 1 0 371.437 2.986 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H](CO)[C@@H](C)c1ccccc1 ZINC000613389278 520478934 /nfs/dbraw/zinc/47/89/34/520478934.db2.gz HTXWLXUNUSOCSJ-GOEBONIOSA-N 1 0 357.410 2.596 20 5 FFBDRO C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000598195963 520487346 /nfs/dbraw/zinc/48/73/46/520487346.db2.gz XUNDMHQNEUMEFI-MRXNPFEDSA-N 1 0 368.437 2.566 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC000595464750 520489239 /nfs/dbraw/zinc/48/92/39/520489239.db2.gz DIUDFFJWFABMTF-CQSZACIVSA-N 1 0 364.446 2.523 20 5 FFBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000595467541 520491015 /nfs/dbraw/zinc/49/10/15/520491015.db2.gz HPUYAJITRGFUHJ-INIZCTEOSA-N 1 0 360.458 2.844 20 5 FFBDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000609984190 520495976 /nfs/dbraw/zinc/49/59/76/520495976.db2.gz QSZCKIZXORNEOA-WFASDCNBSA-N 1 0 369.849 2.814 20 5 FFBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000610065414 520521621 /nfs/dbraw/zinc/52/16/21/520521621.db2.gz QMENLPQFHXVXCU-LLVKDONJSA-N 1 0 370.247 2.962 20 5 FFBDRO Cn1cc([C@@H]2C[N@H+](Cc3ccc(F)cc3[N+](=O)[O-])CC23CCOCC3)cn1 ZINC000595513503 520521496 /nfs/dbraw/zinc/52/14/96/520521496.db2.gz FUQLUGUUBBNIRK-KRWDZBQOSA-N 1 0 374.416 2.864 20 5 FFBDRO Cc1ccc(C[NH2+][C@H]2CN(Cc3ccccc3)CC[C@H]2CO)cc1[N+](=O)[O-] ZINC000610090246 520534789 /nfs/dbraw/zinc/53/47/89/520534789.db2.gz YSFCZMQGCPYWAQ-PMACEKPBSA-N 1 0 369.465 2.876 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C[C@H]1C ZINC000610125932 520551132 /nfs/dbraw/zinc/55/11/32/520551132.db2.gz ZCPQSERXIKGIHJ-GDBMZVCRSA-N 1 0 358.442 2.881 20 5 FFBDRO O=C(N1CCN(c2cc[nH+]cc2)CC1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000600964268 520560870 /nfs/dbraw/zinc/56/08/70/520560870.db2.gz MRNHHEIWTNFIPS-UHFFFAOYSA-N 1 0 366.421 2.760 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(C[NH2+][C@H](C2CC2)C2(CO)CCOCC2)c(F)c1 ZINC000595587468 520571712 /nfs/dbraw/zinc/57/17/12/520571712.db2.gz CVAOZMVBBSFTBU-MRXNPFEDSA-N 1 0 356.369 2.530 20 5 FFBDRO Cc1cc(C(=O)NC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000592883108 520633679 /nfs/dbraw/zinc/63/36/79/520633679.db2.gz WUGFBWYYBQIUAP-MSOLQXFVSA-N 1 0 353.422 2.978 20 5 FFBDRO C[C@H]1COC2(CCC2)C[N@@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000595682273 520644698 /nfs/dbraw/zinc/64/46/98/520644698.db2.gz QBYGWKMOMAOPJO-ZDUSSCGKSA-N 1 0 361.398 2.536 20 5 FFBDRO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000601122498 520647292 /nfs/dbraw/zinc/64/72/92/520647292.db2.gz XZDLQVGSEJPRRY-LLVKDONJSA-N 1 0 361.368 2.802 20 5 FFBDRO CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C[C@H](C)[NH2+]1 ZINC000598531308 520684471 /nfs/dbraw/zinc/68/44/71/520684471.db2.gz IRHAGUZGIOQADM-VHSXEESVSA-N 1 0 356.220 2.570 20 5 FFBDRO O=C(NCC1CC[NH+](CC2CC2)CC1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000598541138 520690860 /nfs/dbraw/zinc/69/08/60/520690860.db2.gz OGFFENBTXZHURF-UHFFFAOYSA-N 1 0 368.437 2.995 20 5 FFBDRO COc1cc(C(=O)NCC2CC[NH+](CC3CC3)CC2)c([N+](=O)[O-])cc1F ZINC000598544518 520693043 /nfs/dbraw/zinc/69/30/43/520693043.db2.gz ZEJXRFNFYZFEAM-UHFFFAOYSA-N 1 0 365.405 2.594 20 5 FFBDRO COc1cc(C[N@@H+]2CCC[C@](O)(C3CC3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000595749752 520697877 /nfs/dbraw/zinc/69/78/77/520697877.db2.gz HHMNZYNYWNEOBZ-QGZVFWFLSA-N 1 0 372.368 2.942 20 5 FFBDRO Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cn1 ZINC000595767249 520709165 /nfs/dbraw/zinc/70/91/65/520709165.db2.gz AVVDPCNJAXHVPA-ZFWWWQNUSA-N 1 0 354.414 2.706 20 5 FFBDRO O=[N+]([O-])c1cnccc1NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000610510656 520721709 /nfs/dbraw/zinc/72/17/09/520721709.db2.gz ZEJNIUJGIHDTQH-UHFFFAOYSA-N 1 0 370.453 2.895 20 5 FFBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@H](n1cncn1)C(F)(F)F)C1CC1 ZINC000601293069 520727165 /nfs/dbraw/zinc/72/71/65/520727165.db2.gz CNKYMHUDSMSNAS-ZFWWWQNUSA-N 1 0 369.347 2.901 20 5 FFBDRO Cc1cc(S(=O)(=O)NCc2ccccc2C[NH+](C)C)c([N+](=O)[O-])s1 ZINC000601292140 520727395 /nfs/dbraw/zinc/72/73/95/520727395.db2.gz KSTDGXMHMBDNNR-UHFFFAOYSA-N 1 0 369.468 2.505 20 5 FFBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)C3(c4ccc([N+](=O)[O-])cc4)CCC3)CC[C@@H]21 ZINC000601334226 520746194 /nfs/dbraw/zinc/74/61/94/520746194.db2.gz ZGEFKMFZJJSQQB-QAPCUYQASA-N 1 0 357.454 2.959 20 5 FFBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000593118344 520757293 /nfs/dbraw/zinc/75/72/93/520757293.db2.gz QLCQWFUDLZQEON-OAHLLOKOSA-N 1 0 353.325 2.624 20 5 FFBDRO O=C(CC[C@@H]1CCC[NH2+]C1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000598666431 520774820 /nfs/dbraw/zinc/77/48/20/520774820.db2.gz UAJLEXMMOWXISK-HNNXBMFYSA-N 1 0 361.442 2.744 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N3C[C@@H]4CCC[C@]4([NH3+])C3)cc2[N+](=O)[O-])C1 ZINC000598666906 520775280 /nfs/dbraw/zinc/77/52/80/520775280.db2.gz BGSCTBOFHGASNG-IIMJZQEZSA-N 1 0 372.469 2.785 20 5 FFBDRO [NH3+][C@]12CCC[C@H]1CN(C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000598668635 520776511 /nfs/dbraw/zinc/77/65/11/520776511.db2.gz CLSZFICZBNMGNN-BONVTDFDSA-N 1 0 355.847 2.680 20 5 FFBDRO COc1ccc(OCC[NH2+][C@@H](CO)c2ccc(F)cc2F)c([N+](=O)[O-])c1 ZINC000595867402 520779631 /nfs/dbraw/zinc/77/96/31/520779631.db2.gz MQHJPKRPWUXOMV-HNNXBMFYSA-N 1 0 368.336 2.584 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000595901601 520807073 /nfs/dbraw/zinc/80/70/73/520807073.db2.gz YRBPKIKSLVSDRR-MRXNPFEDSA-N 1 0 360.458 2.553 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000595907168 520813662 /nfs/dbraw/zinc/81/36/62/520813662.db2.gz RRNFOGMEGDVETF-KRWDZBQOSA-N 1 0 351.447 2.536 20 5 FFBDRO Cc1ccc(NCCCNC(=O)c2cccc3c2C[NH2+]C3)c([N+](=O)[O-])c1 ZINC000595924362 520829357 /nfs/dbraw/zinc/82/93/57/520829357.db2.gz CYSDAXNLMDFZCV-UHFFFAOYSA-N 1 0 354.410 2.738 20 5 FFBDRO [NH3+]CC12CC(C1)CN2C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000595943394 520834237 /nfs/dbraw/zinc/83/42/37/520834237.db2.gz OIGZMWFKRFUMPY-UHFFFAOYSA-N 1 0 353.378 2.950 20 5 FFBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595960483 520837778 /nfs/dbraw/zinc/83/77/78/520837778.db2.gz GFFHXBVWGZYVSX-HNNXBMFYSA-N 1 0 363.483 2.925 20 5 FFBDRO COc1cc(C[N@H+](C)CCn2c(C)ncc2[N+](=O)[O-])ccc1OC(F)F ZINC000610782695 520840957 /nfs/dbraw/zinc/84/09/57/520840957.db2.gz MDFYUQAAWVENBF-UHFFFAOYSA-N 1 0 370.356 2.842 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CCc1nsc2ccccc12 ZINC000596064972 520890678 /nfs/dbraw/zinc/89/06/78/520890678.db2.gz LQNBVUSJFRQBGR-ZDUSSCGKSA-N 1 0 373.434 2.777 20 5 FFBDRO CC(C)(C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])CC(F)(F)F ZINC000596069919 520894267 /nfs/dbraw/zinc/89/42/67/520894267.db2.gz KABLLTYLIUMKAP-LLVKDONJSA-N 1 0 350.337 2.903 20 5 FFBDRO C[NH2+]Cc1ccccc1CN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000593320687 520907562 /nfs/dbraw/zinc/90/75/62/520907562.db2.gz DAKJLZFOTMNQOC-IBGZPJMESA-N 1 0 365.437 2.927 20 5 FFBDRO C[NH2+]Cc1ccccc1CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000593320688 520907862 /nfs/dbraw/zinc/90/78/62/520907862.db2.gz DAKJLZFOTMNQOC-LJQANCHMSA-N 1 0 365.437 2.927 20 5 FFBDRO COc1cc(NCCC[N@@H+]2CCCN(C)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596101030 520913214 /nfs/dbraw/zinc/91/32/14/520913214.db2.gz HTTGCIMALOUQKO-UHFFFAOYSA-N 1 0 356.854 2.696 20 5 FFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000598916498 520915125 /nfs/dbraw/zinc/91/51/25/520915125.db2.gz ZVTMGRKULJTJHP-OLZOCXBDSA-N 1 0 350.394 2.977 20 5 FFBDRO CN(C)C(=O)CC[NH+]1CCC(Nc2ccc(C(F)F)cc2[N+](=O)[O-])CC1 ZINC000596122009 520925942 /nfs/dbraw/zinc/92/59/42/520925942.db2.gz RFUTXJCNSVCXRK-UHFFFAOYSA-N 1 0 370.400 2.887 20 5 FFBDRO CC[NH+]1CCN(c2cccc(Nc3ccc([N+](=O)[O-])c(C(N)=O)c3)c2)CC1 ZINC000596195922 520963546 /nfs/dbraw/zinc/96/35/46/520963546.db2.gz KCRUBEPWJDMIJF-UHFFFAOYSA-N 1 0 369.425 2.579 20 5 FFBDRO COC(=O)c1c(Cl)c(N2CCC[C@H]([NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000596209260 520971762 /nfs/dbraw/zinc/97/17/62/520971762.db2.gz QLBVIVJUNGWUNU-NSHDSACASA-N 1 0 355.822 2.955 20 5 FFBDRO COC(=O)c1c(Cl)c(N(C)CCC[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000596224462 520979146 /nfs/dbraw/zinc/97/91/46/520979146.db2.gz GIWOHZRHNMFYSW-UHFFFAOYSA-N 1 0 355.822 2.957 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000596306818 521020329 /nfs/dbraw/zinc/02/03/29/521020329.db2.gz IMDQOHBRKVCCEQ-LBPRGKRZSA-N 1 0 355.460 2.531 20 5 FFBDRO CC(C)(C)Oc1cc(N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)ccc1[N+](=O)[O-] ZINC000611203189 521035369 /nfs/dbraw/zinc/03/53/69/521035369.db2.gz ORXLOHGVHZEFHW-WBVHZDCISA-N 1 0 363.458 2.808 20 5 FFBDRO C[N@@H+]1CCN(c2ncnc3sc([N+](=O)[O-])cc32)[C@H](Cc2ccccc2)C1 ZINC000593503892 521036855 /nfs/dbraw/zinc/03/68/55/521036855.db2.gz MFHPXVYTGFJWRZ-CQSZACIVSA-N 1 0 369.450 2.963 20 5 FFBDRO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000611222835 521043327 /nfs/dbraw/zinc/04/33/27/521043327.db2.gz HWPOEOFWWCEKBP-UHFFFAOYSA-N 1 0 360.333 2.976 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH+]2CCC(c3cccnc3)CC2)c1 ZINC000611258742 521061745 /nfs/dbraw/zinc/06/17/45/521061745.db2.gz HNPJRTYENCYSJI-SFHVURJKSA-N 1 0 357.410 2.609 20 5 FFBDRO O=[N+]([O-])c1cc2c(cc1CN1CCC[C@@H]([NH+]3CCCC3)CC1)OCCO2 ZINC000611273147 521072944 /nfs/dbraw/zinc/07/29/44/521072944.db2.gz HZPBSDRFEZACRC-MRXNPFEDSA-N 1 0 361.442 2.816 20 5 FFBDRO CCN1C[C@@H](C[NH2+]Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)CC1=O ZINC000593690895 521160037 /nfs/dbraw/zinc/16/00/37/521160037.db2.gz XOHINPZIFGXPAC-CYBMUJFWSA-N 1 0 373.409 2.821 20 5 FFBDRO O=C(NCCC1CC[NH2+]CC1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000593720368 521174864 /nfs/dbraw/zinc/17/48/64/521174864.db2.gz KGFSFPANJDPYAC-KRWDZBQOSA-N 1 0 360.458 2.874 20 5 FFBDRO CC[C@H]([NH2+][C@@H]1C[C@H](C)N(c2cnn(C)c2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000611475244 521175870 /nfs/dbraw/zinc/17/58/70/521175870.db2.gz GZMRNMUDLUNAJX-AFAVFJNCSA-N 1 0 357.414 2.563 20 5 FFBDRO O=C(N[C@H]1C[C@@H]([NH+]2CCCC2)C1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000602172744 521186888 /nfs/dbraw/zinc/18/68/88/521186888.db2.gz PJTSEODMQBOEHG-CALCHBBNSA-N 1 0 372.469 2.554 20 5 FFBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+](Cc1ccccc1)C1(CO)CCCC1 ZINC000599432059 521219765 /nfs/dbraw/zinc/21/97/65/521219765.db2.gz ZVXRLYHHGPILIW-UHFFFAOYSA-N 1 0 371.437 2.564 20 5 FFBDRO CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CC[C@H](CO)C2)cc1OC ZINC000611662661 521270056 /nfs/dbraw/zinc/27/00/56/521270056.db2.gz XJPMGWDYAIQZKG-KBPBESRZSA-N 1 0 352.431 2.843 20 5 FFBDRO CCC(CC)[C@H](CNc1ncnc2ccc([N+](=O)[O-])cc21)[NH+]1CCOCC1 ZINC000611700525 521286495 /nfs/dbraw/zinc/28/64/95/521286495.db2.gz ACEFDFVVFQFLCV-SFHVURJKSA-N 1 0 373.457 2.509 20 5 FFBDRO C[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)[C@H]1CC[NH3+] ZINC000593914207 521288926 /nfs/dbraw/zinc/28/89/26/521288926.db2.gz AVBKVOYWLZYDOU-HZMBPMFUSA-N 1 0 370.247 2.947 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000593920097 521293002 /nfs/dbraw/zinc/29/30/02/521293002.db2.gz XFQXCERPZOIPEQ-KYJSFNMBSA-N 1 0 361.442 2.713 20 5 FFBDRO Cc1ccc(NC(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000599588450 521311413 /nfs/dbraw/zinc/31/14/13/521311413.db2.gz PAOZQHOQVOHBGV-JQWIXIFHSA-N 1 0 360.336 2.894 20 5 FFBDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000599604826 521327544 /nfs/dbraw/zinc/32/75/44/521327544.db2.gz SDYOZCNAXGKFOM-NWDGAFQWSA-N 1 0 357.208 2.619 20 5 FFBDRO Cc1cc(NC(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000599609802 521331138 /nfs/dbraw/zinc/33/11/38/521331138.db2.gz ASZDMQVBGARUQJ-ZYHUDNBSSA-N 1 0 360.336 2.894 20 5 FFBDRO CN(C)C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc(Cl)c(Cl)c1 ZINC000599626406 521340393 /nfs/dbraw/zinc/34/03/93/521340393.db2.gz FYMLTPUBNHKTIH-AWEZNQCLSA-N 1 0 372.256 2.991 20 5 FFBDRO CC1(C)[C@@H](c2ccc(F)cc2)CC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000599623937 521340418 /nfs/dbraw/zinc/34/04/18/521340418.db2.gz XEPDZYWLHDQZSA-DLBZAZTESA-N 1 0 362.405 2.559 20 5 FFBDRO CC1(C)[C@H](c2ccc(F)cc2)CC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000599623939 521340678 /nfs/dbraw/zinc/34/06/78/521340678.db2.gz XEPDZYWLHDQZSA-IRXDYDNUSA-N 1 0 362.405 2.559 20 5 FFBDRO CCC(C)(C)[NH+]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000594020310 521354094 /nfs/dbraw/zinc/35/40/94/521354094.db2.gz HDNUKQUWTDSNAU-UHFFFAOYSA-N 1 0 368.865 2.993 20 5 FFBDRO O=[N+]([O-])c1cnn(CC[NH2+]C2(c3cccc(OC(F)(F)F)c3)CC2)c1 ZINC000594036006 521366007 /nfs/dbraw/zinc/36/60/07/521366007.db2.gz YYWNRRVMDJTQQR-UHFFFAOYSA-N 1 0 356.304 2.969 20 5 FFBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]CCc3ccc4c(c3)OCCO4)nc2c1 ZINC000602505216 521384165 /nfs/dbraw/zinc/38/41/65/521384165.db2.gz VJFPAOVYLOCOFQ-UHFFFAOYSA-N 1 0 355.350 2.840 20 5 FFBDRO C[C@H](CN1CCC[C@H](C)C1)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602522100 521392059 /nfs/dbraw/zinc/39/20/59/521392059.db2.gz CULABGKXQJDTIO-JKSUJKDBSA-N 1 0 361.490 2.669 20 5 FFBDRO COc1cccc2c1OC[C@H]([NH2+]Cc1nc3cc([N+](=O)[O-])ccc3o1)C2 ZINC000602535758 521400326 /nfs/dbraw/zinc/40/03/26/521400326.db2.gz RXFVUTUBHNKQOB-GFCCVEGCSA-N 1 0 355.350 2.838 20 5 FFBDRO Cc1ccncc1[C@H](C)[NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000611938880 521401211 /nfs/dbraw/zinc/40/12/11/521401211.db2.gz AWIXYCKUPPEZDP-ZDUSSCGKSA-N 1 0 356.382 2.947 20 5 FFBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H](C)c2cnccc2C)c([N+](=O)[O-])c1 ZINC000611939922 521401894 /nfs/dbraw/zinc/40/18/94/521401894.db2.gz WCKSNKBDGJIVKV-ZDUSSCGKSA-N 1 0 358.398 2.986 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)NC[C@H]3C[C@@H]([NH+](C)C)C3)cc2[N+](=O)[O-])C1 ZINC000594105988 521406376 /nfs/dbraw/zinc/40/63/76/521406376.db2.gz LYYWMYAQHSZBEH-INMHGKMJSA-N 1 0 374.485 2.901 20 5 FFBDRO [NH3+][C@H]1CCCCCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000602578808 521421884 /nfs/dbraw/zinc/42/18/84/521421884.db2.gz HFZWEKYWJJKMKW-JTQLQIEISA-N 1 0 356.220 2.701 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCCC4)CC2)cn1 ZINC000602582428 521423474 /nfs/dbraw/zinc/42/34/74/521423474.db2.gz OVTVOOIYWWNCNM-BHIYHBOVSA-N 1 0 372.469 2.896 20 5 FFBDRO O=[N+]([O-])c1sc(C[NH2+]CC[C@@H](O)C(F)(F)F)cc1Br ZINC000602655912 521461905 /nfs/dbraw/zinc/46/19/05/521461905.db2.gz HZZUPLTZVCUVAP-SSDOTTSWSA-N 1 0 363.155 2.822 20 5 FFBDRO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594198649 521464647 /nfs/dbraw/zinc/46/46/47/521464647.db2.gz UGOKFLHPTHOFOL-JKSUJKDBSA-N 1 0 353.369 2.549 20 5 FFBDRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000594200367 521466760 /nfs/dbraw/zinc/46/67/60/521466760.db2.gz LADIVLITZKLPOF-SJLPKXTDSA-N 1 0 369.425 2.527 20 5 FFBDRO Nc1c(NC(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)cc(Cl)cc1[N+](=O)[O-] ZINC000599800293 521481963 /nfs/dbraw/zinc/48/19/63/521481963.db2.gz HHCNXHIKNSETFY-GFCCVEGCSA-N 1 0 367.837 2.969 20 5 FFBDRO C[C@H](O)[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccccc1F ZINC000602697830 521483632 /nfs/dbraw/zinc/48/36/32/521483632.db2.gz IVYYXQFGYSJPFQ-DJJJIMSYSA-N 1 0 374.416 2.809 20 5 FFBDRO C[C@@H](O)[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccccc1 ZINC000602715822 521493037 /nfs/dbraw/zinc/49/30/37/521493037.db2.gz OTXBOWRWWXFZAI-KUHUBIRLSA-N 1 0 356.426 2.670 20 5 FFBDRO Nc1c(NC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cc(Cl)cc1[N+](=O)[O-] ZINC000597096493 521502821 /nfs/dbraw/zinc/50/28/21/521502821.db2.gz AMHAIVZIMQRHGV-NSHDSACASA-N 1 0 367.837 2.780 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC000602826620 521555017 /nfs/dbraw/zinc/55/50/17/521555017.db2.gz WMMJJXHFZRGGFM-QGZVFWFLSA-N 1 0 364.833 2.745 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+](Cc1cccs1)[C@@H]1C=C[C@H](CO)C1 ZINC000602830740 521559170 /nfs/dbraw/zinc/55/91/70/521559170.db2.gz WIVJARVGNOQKNS-LSDHHAIUSA-N 1 0 362.455 2.600 20 5 FFBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000612286014 521560604 /nfs/dbraw/zinc/56/06/04/521560604.db2.gz URCBRCZYDQLGIN-ZDUSSCGKSA-N 1 0 369.874 2.941 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(Oc2cncc(Cl)c2)CC1 ZINC000602837588 521561588 /nfs/dbraw/zinc/56/15/88/521561588.db2.gz NURGLJKLQOUMFA-UHFFFAOYSA-N 1 0 365.821 2.692 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](c1ccccc1)C1(CO)CCCC1 ZINC000602838552 521561766 /nfs/dbraw/zinc/56/17/66/521561766.db2.gz UFNMQTUWSCYISA-GOSISDBHSA-N 1 0 358.442 2.983 20 5 FFBDRO COc1ccc(-c2ccc(C[N@H+](C)C[C@H]3COCCO3)o2)c([N+](=O)[O-])c1 ZINC000597204896 521572409 /nfs/dbraw/zinc/57/24/09/521572409.db2.gz GWUPICAOPWHELN-HNNXBMFYSA-N 1 0 362.382 2.711 20 5 FFBDRO CCOC(=O)[C@@]1(C)CCC[C@@H]1[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000597236200 521589315 /nfs/dbraw/zinc/58/93/15/521589315.db2.gz PBVUKDUFVIIZCY-WMZOPIPTSA-N 1 0 364.398 2.578 20 5 FFBDRO C[C@H](NC(=O)N=c1ccn(C2CC[NH+](C)CC2)[nH]1)c1ccccc1[N+](=O)[O-] ZINC000491258964 561444274 /nfs/dbraw/zinc/44/42/74/561444274.db2.gz MYSAKWZKSRNREJ-ZDUSSCGKSA-N 1 0 372.429 2.941 20 5 FFBDRO Cc1nc(NCCCN2CC[NH+](Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000471619881 561008960 /nfs/dbraw/zinc/00/89/60/561008960.db2.gz HJFTXCSOOKCPEK-UHFFFAOYSA-N 1 0 369.469 2.918 20 5 FFBDRO CC[C@H]([NH2+]C[C@H](O)c1ccc(-c2nn[nH]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000825141839 608552025 /nfs/dbraw/zinc/55/20/25/608552025.db2.gz QOBNTZGDLGUZNO-IRXDYDNUSA-N 1 0 368.397 2.549 20 5 FFBDRO COc1cc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)ncc1[N+](=O)[O-] ZINC001164857950 720950751 /nfs/dbraw/zinc/95/07/51/720950751.db2.gz ILMOAZKBUHHEAR-CYBMUJFWSA-N 1 0 374.445 2.616 20 5 FFBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164897261 721511642 /nfs/dbraw/zinc/51/16/42/721511642.db2.gz FNQHHVCHYADCEU-WMZOPIPTSA-N 1 0 372.400 2.779 20 5 FFBDRO Cc1cnc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC001164901705 721512540 /nfs/dbraw/zinc/51/25/40/721512540.db2.gz YDLPQNDFWUKPEQ-RDJZCZTQSA-N 1 0 372.400 2.779 20 5 FFBDRO CC[C@H](C(=O)O[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])[NH+](CC)CC ZINC000745096497 735399155 /nfs/dbraw/zinc/39/91/55/735399155.db2.gz WTRABZZGPCBOHW-GXTWGEPZSA-N 1 0 351.403 2.585 20 5 FFBDRO Cc1ccc(C[NH2+][C@@H]2CCc3ncc(Br)n3C2)cc1[N+](=O)[O-] ZINC000898727314 735400962 /nfs/dbraw/zinc/40/09/62/735400962.db2.gz UVGIZWCIHASXEY-GFCCVEGCSA-N 1 0 365.231 2.967 20 5 FFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](C[C@@H](O)c3ccc(Cl)cc3)C2)nc1 ZINC000245441995 729570023 /nfs/dbraw/zinc/57/00/23/729570023.db2.gz HSMKHPHUIUAFNR-GDBMZVCRSA-N 1 0 362.817 2.863 20 5 FFBDRO CC[NH+](CC)[C@H]1CCN([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000245430782 729570028 /nfs/dbraw/zinc/57/00/28/729570028.db2.gz AICDPUXXUUTMRU-OCCSQVGLSA-N 1 0 368.865 2.991 20 5 FFBDRO O=[N+]([O-])c1cc(Br)ccc1NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252668603 729624798 /nfs/dbraw/zinc/62/47/98/729624798.db2.gz YCAFIDOFSBCMIU-RYUDHWBXSA-N 1 0 356.220 2.632 20 5 FFBDRO O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000262518954 729667722 /nfs/dbraw/zinc/66/77/22/729667722.db2.gz NWRJODBSVVZEIU-AOOOYVTPSA-N 1 0 363.215 2.561 20 5 FFBDRO CC1(C)CC[C@@H](CO)[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000856803221 730358845 /nfs/dbraw/zinc/35/88/45/730358845.db2.gz BGPNGQFPDKALRU-ZDUSSCGKSA-N 1 0 353.394 2.545 20 5 FFBDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2Cl)C1 ZINC000859805578 730466463 /nfs/dbraw/zinc/46/64/63/730466463.db2.gz UOMILVADOIVZFI-CYBMUJFWSA-N 1 0 369.849 2.821 20 5 FFBDRO CS[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2Cl)C[C@@H]1[NH+]1CCCC1 ZINC000860788841 730547528 /nfs/dbraw/zinc/54/75/28/730547528.db2.gz VJZPPTBYDXMMHN-UONOGXRCSA-N 1 0 369.874 2.900 20 5 FFBDRO O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000861985633 730658742 /nfs/dbraw/zinc/65/87/42/730658742.db2.gz ZLDFQXFQUMYDJS-UHFFFAOYSA-N 1 0 367.833 2.575 20 5 FFBDRO COCCN(CC1CC[NH+](C)CC1)C(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000865242588 730929270 /nfs/dbraw/zinc/92/92/70/730929270.db2.gz CBAALQOMVZUJBP-UHFFFAOYSA-N 1 0 366.487 2.582 20 5 FFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1CCOC2(CCOCC2)C1 ZINC000866307996 731048099 /nfs/dbraw/zinc/04/80/99/731048099.db2.gz OCZFYLAWSNAGGS-BBRMVZONSA-N 1 0 352.406 2.983 20 5 FFBDRO COC(=O)N1CCC(C[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000866357592 731051872 /nfs/dbraw/zinc/05/18/72/731051872.db2.gz INIRRWAEWTYHLE-GFCCVEGCSA-N 1 0 353.394 2.733 20 5 FFBDRO Cc1nn(CCC(=O)O[C@@H](C)C[C@H]2CCCC[N@@H+]2C)c(C)c1[N+](=O)[O-] ZINC000870789665 731558466 /nfs/dbraw/zinc/55/84/66/731558466.db2.gz IVBKYGQYYIZNSY-SWLSCSKDSA-N 1 0 352.435 2.604 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@@]2(C(F)(F)F)CCCN2)n1 ZINC000925856715 738538252 /nfs/dbraw/zinc/53/82/52/738538252.db2.gz RTATWXSZGCGAHN-YRGRVCCFSA-N 1 0 361.368 2.549 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000874844039 732107052 /nfs/dbraw/zinc/10/70/52/732107052.db2.gz QEYQNNZFQBFQID-YUTCNCBUSA-N 1 0 367.833 2.711 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000874844035 732107147 /nfs/dbraw/zinc/10/71/47/732107147.db2.gz QEYQNNZFQBFQID-IACUBPJLSA-N 1 0 367.833 2.711 20 5 FFBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877279214 732340084 /nfs/dbraw/zinc/34/00/84/732340084.db2.gz XIRIFAZJZLHZBT-NWDGAFQWSA-N 1 0 355.847 2.693 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCC3SCCS3)CC2)cn1 ZINC000877637565 732402914 /nfs/dbraw/zinc/40/29/14/732402914.db2.gz WIKNFBVYIYYKME-UHFFFAOYSA-N 1 0 354.501 2.744 20 5 FFBDRO C[N@@H+]1CC[C@@H]2CN(Cc3ccc(Br)c([N+](=O)[O-])c3)CC[C@@H]21 ZINC000877742372 732422459 /nfs/dbraw/zinc/42/24/59/732422459.db2.gz DABYVQCXJPUQLD-OCCSQVGLSA-N 1 0 354.248 2.883 20 5 FFBDRO C[C@@H](CCCC(F)(F)F)[NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000877830617 732443898 /nfs/dbraw/zinc/44/38/98/732443898.db2.gz JCZBPEKWGIPBRB-ZLKJLUDKSA-N 1 0 350.337 2.700 20 5 FFBDRO CCC1([NH+](C)C)CCN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000879286999 732678643 /nfs/dbraw/zinc/67/86/43/732678643.db2.gz IZUVRYBXJQPCNZ-UHFFFAOYSA-N 1 0 368.865 2.993 20 5 FFBDRO CC(C)(O)C1CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000879628181 732736122 /nfs/dbraw/zinc/73/61/22/732736122.db2.gz JYDBIGPFRMPWQG-UHFFFAOYSA-N 1 0 353.394 2.545 20 5 FFBDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000782031405 738681728 /nfs/dbraw/zinc/68/17/28/738681728.db2.gz HLGRLJASVIBDBQ-LLVKDONJSA-N 1 0 370.837 2.557 20 5 FFBDRO NC(=O)C1([NH+]2CCCCC2)CCN(c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000882814756 733298003 /nfs/dbraw/zinc/29/80/03/733298003.db2.gz SRAYGUNUHTVIEL-UHFFFAOYSA-N 1 0 366.849 2.558 20 5 FFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](CO)C[C@H]1CCCO1 ZINC000886668266 733814503 /nfs/dbraw/zinc/81/45/03/733814503.db2.gz PVCDHYMOZOUKQM-QLFBSQMISA-N 1 0 354.472 2.985 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H]1CC[C@@]2(CO[C@H](C)C2)O1 ZINC000886768946 733829562 /nfs/dbraw/zinc/82/95/62/733829562.db2.gz LUDFCKACIPBJKB-VAGZCVSGSA-N 1 0 350.415 2.981 20 5 FFBDRO CCOc1cc(NC(=O)N2CCC[N@@H+](C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000888834403 734103797 /nfs/dbraw/zinc/10/37/97/734103797.db2.gz IIOKODVWAJHZLO-UHFFFAOYSA-N 1 0 350.419 2.942 20 5 FFBDRO C[NH+]1CCC2(CCN2C(=O)c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000889220024 734153686 /nfs/dbraw/zinc/15/36/86/734153686.db2.gz IXVARYFFFNQVTG-UHFFFAOYSA-N 1 0 368.231 2.668 20 5 FFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](CO)C[C@@H](O)c2ccccc2)cc1Cl ZINC000783648851 738822618 /nfs/dbraw/zinc/82/26/18/738822618.db2.gz ASENCVDMCOCVQU-WMLDXEAASA-N 1 0 350.802 2.822 20 5 FFBDRO C[NH+]1CCC2(CCN2C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000893603734 734725336 /nfs/dbraw/zinc/72/53/36/734725336.db2.gz YZYUCMBNUNEEJC-UHFFFAOYSA-N 1 0 352.822 2.628 20 5 FFBDRO C[C@@H]1CCC[N@@H+]1CCNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000783920753 738849151 /nfs/dbraw/zinc/84/91/51/738849151.db2.gz OJSVAZVDCJKTSZ-SNVBAGLBSA-N 1 0 356.220 2.571 20 5 FFBDRO CC[C@@H](COCC(F)(F)F)[NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000894666004 734897825 /nfs/dbraw/zinc/89/78/25/734897825.db2.gz DPFUVXDGOUZZNA-JTQLQIEISA-N 1 0 352.309 2.756 20 5 FFBDRO COc1c(O)ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)c1[N+](=O)[O-] ZINC000894699875 734902630 /nfs/dbraw/zinc/90/26/30/734902630.db2.gz LQEGBWJLNCSPAL-RRFJBIMHSA-N 1 0 350.415 2.825 20 5 FFBDRO CC(C)C[N@@H+]1CCO[C@@H](COC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000735890828 734965243 /nfs/dbraw/zinc/96/52/43/734965243.db2.gz LNKGHAJFEHBGAU-OAHLLOKOSA-N 1 0 356.806 2.762 20 5 FFBDRO Cc1ccc(N[C@@H](C)[C@@H]2C[N@H+](C)CCN2C)c([N+](=O)[O-])c1Br ZINC000895246306 734980480 /nfs/dbraw/zinc/98/04/80/734980480.db2.gz MWCVBCVQPKMANI-AAEUAGOBSA-N 1 0 371.279 2.712 20 5 FFBDRO CS(=O)(=O)c1ccccc1CC[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000896814485 735184508 /nfs/dbraw/zinc/18/45/08/735184508.db2.gz QNXJPJRCIMCLFD-UHFFFAOYSA-N 1 0 368.842 2.984 20 5 FFBDRO Cn1cc([C@H](O)C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)cn1 ZINC000742375953 735234706 /nfs/dbraw/zinc/23/47/06/735234706.db2.gz KAQNTQLMMUSPBF-MRXNPFEDSA-N 1 0 358.423 2.880 20 5 FFBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cc(Cl)c(F)c([N+](=O)[O-])c3)CC[C@@H]21 ZINC000901105965 735744918 /nfs/dbraw/zinc/74/49/18/735744918.db2.gz WZITTXZVFBIVMU-GWCFXTLKSA-N 1 0 355.797 2.944 20 5 FFBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cc(Cl)c(F)c([N+](=O)[O-])c3)CC[C@H]21 ZINC000901105966 735744949 /nfs/dbraw/zinc/74/49/49/735744949.db2.gz WZITTXZVFBIVMU-GXFFZTMASA-N 1 0 355.797 2.944 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C(=O)N(CC[NH+](C)C)Cc2cccs2)c1 ZINC000752498675 735990998 /nfs/dbraw/zinc/99/09/98/735990998.db2.gz HPYLZJBRWXJGTK-UHFFFAOYSA-N 1 0 363.439 2.869 20 5 FFBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000752936716 736024679 /nfs/dbraw/zinc/02/46/79/736024679.db2.gz ZUUGAVVRERVHCO-LBPRGKRZSA-N 1 0 354.426 2.650 20 5 FFBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000753027238 736032323 /nfs/dbraw/zinc/03/23/23/736032323.db2.gz ZUUGAVVRERVHCO-GFCCVEGCSA-N 1 0 354.426 2.650 20 5 FFBDRO COc1cc([C@@H](C)[NH2+]C[C@@H](O)C(F)(F)C(F)(F)F)cc([N+](=O)[O-])c1 ZINC000903222008 736058591 /nfs/dbraw/zinc/05/85/91/736058591.db2.gz WGJHYPPWXDIULA-RDDDGLTNSA-N 1 0 358.263 2.813 20 5 FFBDRO O=C(C[NH2+][C@H](CCO)c1cccs1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000754391894 736155537 /nfs/dbraw/zinc/15/55/37/736155537.db2.gz YOKHICHSAVXSLJ-GFCCVEGCSA-N 1 0 369.830 2.962 20 5 FFBDRO COC(=O)C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000754535988 736169210 /nfs/dbraw/zinc/16/92/10/736169210.db2.gz BGSNMZZBMRFVCV-LKFCYVNXSA-N 1 0 369.805 2.507 20 5 FFBDRO COC(=O)C[C@H]([NH2+][C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)C1CC1 ZINC000754543963 736170654 /nfs/dbraw/zinc/17/06/54/736170654.db2.gz YZDGZTGSMLLBSG-RNCFNFMXSA-N 1 0 369.805 2.507 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]C[C@@H](O)C[C@@H](O)c1ccccc1 ZINC000905199874 736308796 /nfs/dbraw/zinc/30/87/96/736308796.db2.gz CERKEJGSHLXLRO-FUHWJXTLSA-N 1 0 364.829 2.865 20 5 FFBDRO CSC1CCC(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000905508696 736348389 /nfs/dbraw/zinc/34/83/89/736348389.db2.gz KENYWIAXLKQINP-GNHJJJEISA-N 1 0 354.472 2.846 20 5 FFBDRO C[NH+](C)C1(CNC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CCCC1 ZINC000756952520 736376088 /nfs/dbraw/zinc/37/60/88/736376088.db2.gz ZQQQVTXTRTZXEI-UHFFFAOYSA-N 1 0 354.838 2.922 20 5 FFBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000756967213 736378466 /nfs/dbraw/zinc/37/84/66/736378466.db2.gz SGRCZESKZXUXMG-QWHCGFSZSA-N 1 0 354.838 2.920 20 5 FFBDRO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000757771763 736425928 /nfs/dbraw/zinc/42/59/28/736425928.db2.gz SCEFICXGFHYOQZ-UWVGGRQHSA-N 1 0 371.235 2.914 20 5 FFBDRO Cc1ccc([C@@H](C)NC(=S)NCC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000760491847 736644274 /nfs/dbraw/zinc/64/42/74/736644274.db2.gz PYIMBMNSAQXQFD-CYBMUJFWSA-N 1 0 350.488 2.770 20 5 FFBDRO CC(C)C[N@@H+]1CCO[C@@H](COC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000763977327 736983323 /nfs/dbraw/zinc/98/33/23/736983323.db2.gz IANQIAVNAKHSMS-RHSMWYFYSA-N 1 0 350.415 2.598 20 5 FFBDRO CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000770381700 737620530 /nfs/dbraw/zinc/62/05/30/737620530.db2.gz PGCJSBRWPKNLNN-ZDUSSCGKSA-N 1 0 370.247 2.658 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)C[C@H]1C ZINC000771762310 737753491 /nfs/dbraw/zinc/75/34/91/737753491.db2.gz OCSOSCYBOWEZPE-CHWSQXEVSA-N 1 0 373.450 2.536 20 5 FFBDRO Cc1c(C(=O)OCC[C@@H]2CCCC[N@H+]2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000919227915 737845683 /nfs/dbraw/zinc/84/56/83/737845683.db2.gz SLSYHWOGLGAMGQ-LBPRGKRZSA-N 1 0 351.359 2.843 20 5 FFBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]C[C@H]2COC3(CCCC3)O2)c1 ZINC000773412577 737903701 /nfs/dbraw/zinc/90/37/01/737903701.db2.gz BCPZHDSDLGRIBP-ZDUSSCGKSA-N 1 0 358.341 2.972 20 5 FFBDRO O=C(N1CCC[C@H]([NH+]2CCCC2)C1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778263259 738367631 /nfs/dbraw/zinc/36/76/31/738367631.db2.gz ZFDGKUMWCDOWSA-HNNXBMFYSA-N 1 0 353.369 2.773 20 5 FFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](C[C@H]3CC[C@@H](C(F)(F)F)O3)C2)nc1 ZINC000929986948 739045660 /nfs/dbraw/zinc/04/56/60/739045660.db2.gz IDLZNCHOFBODIA-RTXFEEFZSA-N 1 0 360.336 2.586 20 5 FFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H]([NH+](C)C)[C@H]1C ZINC000931041462 739203201 /nfs/dbraw/zinc/20/32/01/739203201.db2.gz CZBULVRZFYYARL-HFAKWTLXSA-N 1 0 354.838 2.600 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(CN2CCC([N@@H+]3CCCOCC3)CC2)c(F)c1 ZINC000931287894 739238724 /nfs/dbraw/zinc/23/87/24/739238724.db2.gz WKOINURVRAIEQU-UHFFFAOYSA-N 1 0 355.385 2.560 20 5 FFBDRO C[C@@H]1C[NH+](C[C@@H]2CCCN2Cc2ccc([N+](=O)[O-])c(F)c2)C[C@@H](C)O1 ZINC000788477194 739248404 /nfs/dbraw/zinc/24/84/04/739248404.db2.gz VCPCLEALYNAYQH-FMKPAKJESA-N 1 0 351.422 2.808 20 5 FFBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000931724390 739317864 /nfs/dbraw/zinc/31/78/64/739317864.db2.gz AOWLJYGAVQQNRH-SCRDCRAPSA-N 1 0 366.849 2.744 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1C[C@@H]([NH+](C)C)[C@@H](SC)C1 ZINC000790271456 739431390 /nfs/dbraw/zinc/43/13/90/739431390.db2.gz AIMCMOALZNBYFH-OLZOCXBDSA-N 1 0 373.862 2.517 20 5 FFBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000790694262 739485356 /nfs/dbraw/zinc/48/53/56/739485356.db2.gz VWNAZDIRHSVXRT-LBPRGKRZSA-N 1 0 357.813 2.920 20 5 FFBDRO Nc1c(C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cc(Cl)c(F)c1[N+](=O)[O-] ZINC000933335150 739606680 /nfs/dbraw/zinc/60/66/80/739606680.db2.gz KSQCJOSCWBJHIC-JTQLQIEISA-N 1 0 370.812 2.527 20 5 FFBDRO C[C@@H](C(=O)OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[N@H+]1[C@H](C)CC[C@@H]1C ZINC000791930083 739617530 /nfs/dbraw/zinc/61/75/30/739617530.db2.gz KEAGSTRFHGXCRN-TUAOUCFPSA-N 1 0 351.359 2.808 20 5 FFBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCOC23CCOCC3)ccc1Br ZINC000934400832 739781688 /nfs/dbraw/zinc/78/16/88/739781688.db2.gz AHYUOUPXMADWRP-CQSZACIVSA-N 1 0 371.231 2.785 20 5 FFBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CCC[C@H]1C ZINC000793459920 739783798 /nfs/dbraw/zinc/78/37/98/739783798.db2.gz FUOBPNFPWPJELZ-SNVBAGLBSA-N 1 0 370.247 2.880 20 5 FFBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)C1 ZINC000934951154 739871044 /nfs/dbraw/zinc/87/10/44/739871044.db2.gz NNUXRNIYRCPGHQ-JOYOIKCWSA-N 1 0 370.812 2.526 20 5 FFBDRO C[C@H]([NH2+]C[C@@H](O)CCNC(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000794458973 739894471 /nfs/dbraw/zinc/89/44/71/739894471.db2.gz RMMMCHSYSNAHIB-WFASDCNBSA-N 1 0 353.419 2.521 20 5 FFBDRO Cc1c(C(=O)OCCC[NH+]2CCCCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000800138573 740490579 /nfs/dbraw/zinc/49/05/79/740490579.db2.gz KPZMFQJDBMZEDJ-UHFFFAOYSA-N 1 0 351.359 2.844 20 5 FFBDRO CCOC(=O)[C@@]1(COC)CCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000801554915 740630109 /nfs/dbraw/zinc/63/01/09/740630109.db2.gz AKASMGLHXUOPQK-KRWDZBQOSA-N 1 0 354.378 2.526 20 5 FFBDRO C[C@@H](CC[NH+](C)C)NS(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000809394210 741305456 /nfs/dbraw/zinc/30/54/56/741305456.db2.gz CNPGKQTXYCFLSJ-QMMMGPOBSA-N 1 0 370.258 2.520 20 5 FFBDRO [NH3+]CCN(Cc1cc(Cl)c2c(c1)OCCO2)c1ccc([N+](=O)[O-])cc1 ZINC000809734551 741337737 /nfs/dbraw/zinc/33/77/37/741337737.db2.gz HHAJADCSQATKCX-UHFFFAOYSA-N 1 0 363.801 2.985 20 5 FFBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])[C@@H]1n1cccn1 ZINC000815166286 741908381 /nfs/dbraw/zinc/90/83/81/741908381.db2.gz AAHJPXRCJRSSRL-BMFZPTHFSA-N 1 0 350.806 2.953 20 5 FFBDRO Cc1cc(Cl)ccc1C[N@H+]1CC=C(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001000671398 742093598 /nfs/dbraw/zinc/09/35/98/742093598.db2.gz UQERIOUSXFOTHK-IAGOWNOFSA-N 1 0 363.845 2.562 20 5 FFBDRO [NH3+][C@@H]1CCO[C@@H](C2CCN(C(=O)c3cc(Cl)ccc3[N+](=O)[O-])CC2)C1 ZINC000818014317 742230193 /nfs/dbraw/zinc/23/01/93/742230193.db2.gz DULGDPDFZBFZHE-CZUORRHYSA-N 1 0 367.833 2.607 20 5 FFBDRO C[C@@H]1C[C@@H](C)N(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000818023305 742230965 /nfs/dbraw/zinc/23/09/65/742230965.db2.gz IPCMQNVREKTBHH-CKYFFXLPSA-N 1 0 357.813 2.762 20 5 FFBDRO CN(C[C@@H](O)C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)OC(C)(C)C ZINC000819150798 742343878 /nfs/dbraw/zinc/34/38/78/742343878.db2.gz RZEOALPYQGCTFV-ZDUSSCGKSA-N 1 0 373.837 2.566 20 5 FFBDRO O=C(CC[NH2+][C@@H]1CC[C@H]2SCCS[C@H]12)Nc1ccccc1[N+](=O)[O-] ZINC000819196406 742351997 /nfs/dbraw/zinc/35/19/97/742351997.db2.gz BNPSYEMLPVUGPI-XNRPHZJLSA-N 1 0 367.496 2.893 20 5 FFBDRO C[C@H](CCNC(=O)OC(C)(C)C)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819213204 742354895 /nfs/dbraw/zinc/35/48/95/742354895.db2.gz DIZNJSASSPNBJD-DOMZBBRYSA-N 1 0 353.419 2.521 20 5 FFBDRO CC1CCC2(CC1)OC[C@@H](C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)O2 ZINC000819215296 742355102 /nfs/dbraw/zinc/35/51/02/742355102.db2.gz HASAIPZVWJBFPD-KJFXSAIASA-N 1 0 350.415 2.540 20 5 FFBDRO O=C(N[C@H]1CC[C@H]([NH2+]Cc2sccc2Cl)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001034643375 742927173 /nfs/dbraw/zinc/92/71/73/742927173.db2.gz NGWLECOPASLWDP-PRULPYPASA-N 1 0 357.863 2.584 20 5 FFBDRO O=C(N[C@H]1CC[C@H]([NH2+]CCc2ccc(Cl)cc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001034644628 742928544 /nfs/dbraw/zinc/92/85/44/742928544.db2.gz JOKARKYDYWGFKR-QBPKDAKJSA-N 1 0 365.861 2.565 20 5 FFBDRO C[N@@H+]1CC[C@H](CC(=O)N[C@@H](c2cccc([N+](=O)[O-])c2F)C(F)(F)F)C1 ZINC000823593502 742942482 /nfs/dbraw/zinc/94/24/82/742942482.db2.gz AJJUJGDKKLMHSZ-OTYXRUKQSA-N 1 0 363.311 2.795 20 5 FFBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNC[C@H]1CCC[N@H+]1CCCO ZINC000824564068 743106289 /nfs/dbraw/zinc/10/62/89/743106289.db2.gz HFFLCSBIOHXKQU-CYBMUJFWSA-N 1 0 362.257 2.838 20 5 FFBDRO Cn1ccnc1[C@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CCO1 ZINC000825326267 743248631 /nfs/dbraw/zinc/24/86/31/743248631.db2.gz KZBLXVCTVWWZBE-SWLSCSKDSA-N 1 0 350.806 2.992 20 5 FFBDRO C[C@H](NC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)C(C)(C)C[NH+](C)C ZINC000826068477 743363858 /nfs/dbraw/zinc/36/38/58/743363858.db2.gz IHGKNVFDPDFYCM-NSHDSACASA-N 1 0 354.426 2.506 20 5 FFBDRO C[N@@H+]1CC[C@H]2CN(C(=O)c3cc(C(F)(F)F)ccc3[N+](=O)[O-])CC[C@@H]21 ZINC000827247189 743541652 /nfs/dbraw/zinc/54/16/52/743541652.db2.gz VKLGSWYNABMJFB-GWCFXTLKSA-N 1 0 357.332 2.780 20 5 FFBDRO CC(C)(CCC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)[N+](=O)[O-] ZINC000830903531 745448130 /nfs/dbraw/zinc/44/81/30/745448130.db2.gz LBDMZNAMKJLTTM-UHFFFAOYSA-N 1 0 365.396 2.743 20 5 FFBDRO O=C(NCCC[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)C(F)(F)F ZINC000831538728 745544090 /nfs/dbraw/zinc/54/40/90/745544090.db2.gz HBZWYTFEIJQEMD-CYBMUJFWSA-N 1 0 359.348 2.843 20 5 FFBDRO [NH3+][C@H]1CCc2nc(NC(=O)c3ccc([N+](=O)[O-])c(Cl)c3)sc2C1 ZINC000831666960 745562847 /nfs/dbraw/zinc/56/28/47/745562847.db2.gz DIKTVNQTOWBRBR-QMMMGPOBSA-N 1 0 352.803 2.773 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(F)c(C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)c1F ZINC000834476311 745846209 /nfs/dbraw/zinc/84/62/09/745846209.db2.gz VASFYIIARIGPBT-LBPRGKRZSA-N 1 0 353.369 2.928 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)cc1Cl ZINC000836764470 746300414 /nfs/dbraw/zinc/30/04/14/746300414.db2.gz LPYJAXAEPDBJDR-ZDUSSCGKSA-N 1 0 367.833 2.540 20 5 FFBDRO CC(C)(C)OC(=O)[C@@]1(C)CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000839106004 746775934 /nfs/dbraw/zinc/77/59/34/746775934.db2.gz ZGIAADXVXYTMFI-YJBOKZPZSA-N 1 0 350.415 2.682 20 5 FFBDRO O=C(C[N@H+](C[C@H]1CCOC1)C1CC1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839464143 746832508 /nfs/dbraw/zinc/83/25/08/746832508.db2.gz BQNZZQPVZYWFOI-LLVKDONJSA-N 1 0 353.806 2.688 20 5 FFBDRO CO[C@@](C)([C@H](C)[NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CC1 ZINC000839637523 746877294 /nfs/dbraw/zinc/87/72/94/746877294.db2.gz FARQLZSTBODJHF-QFYYESIMSA-N 1 0 355.822 2.980 20 5 FFBDRO CO[C@](C)([C@H](C)[NH2+]CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C1CC1 ZINC000839638101 746877959 /nfs/dbraw/zinc/87/79/59/746877959.db2.gz HPJZPADSXFCIPF-MGPLVRAMSA-N 1 0 355.822 2.980 20 5 FFBDRO CC[C@H](C(=O)N[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F)[NH+](C)C ZINC000840526938 747116370 /nfs/dbraw/zinc/11/63/70/747116370.db2.gz KTLZDUGXPSGYSM-SKDRFNHKSA-N 1 0 351.300 2.794 20 5 FFBDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841162327 747285108 /nfs/dbraw/zinc/28/51/08/747285108.db2.gz UHFITHTWQKREMB-DTWKUNHWSA-N 1 0 357.208 2.558 20 5 FFBDRO O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000841162357 747285533 /nfs/dbraw/zinc/28/55/33/747285533.db2.gz VLLBOVGHBCFBIR-BXKDBHETSA-N 1 0 369.219 2.573 20 5 FFBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)NCc3cc([N+](=O)[O-])ccc3Cl)C[C@H]21 ZINC000841854488 747476207 /nfs/dbraw/zinc/47/62/07/747476207.db2.gz AXPXMFBWRDWZGO-PSOPSSQASA-N 1 0 352.822 2.517 20 5 FFBDRO [NH3+][C@@H]1CCO[C@H](C2CCN(C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)CC2)C1 ZINC000842510137 747623435 /nfs/dbraw/zinc/62/34/35/747623435.db2.gz PJFLFBGQAARXEB-CJNGLKHVSA-N 1 0 367.833 2.607 20 5 FFBDRO [NH3+][C@@H]1CCC[C@H]2CN(Cc3c(Br)cccc3[N+](=O)[O-])C[C@H]21 ZINC000843059945 747758012 /nfs/dbraw/zinc/75/80/12/747758012.db2.gz VRLGGQCEAAFMFE-MISXGVKJSA-N 1 0 354.248 2.917 20 5 FFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@H](O)c2c(F)cccc2Cl)c1 ZINC000843084475 747765377 /nfs/dbraw/zinc/76/53/77/747765377.db2.gz BBTQEGOGPWBQBS-GJZGRUSLSA-N 1 0 354.765 2.744 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@H](O)c2cc(F)cc(Cl)c2)c1 ZINC000843112343 747774368 /nfs/dbraw/zinc/77/43/68/747774368.db2.gz QTZXOILLUGUHEI-HZPDHXFCSA-N 1 0 354.765 2.744 20 5 FFBDRO C[C@H]([NH3+])[C@@H]1CCCN([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000843354341 747815698 /nfs/dbraw/zinc/81/56/98/747815698.db2.gz ZOAWEAGSPWZPHF-SDDRHHMPSA-N 1 0 354.838 2.634 20 5 FFBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC[C@H](CC[NH3+])C1 ZINC000843377845 747820526 /nfs/dbraw/zinc/82/05/26/747820526.db2.gz OTRIBGCUPILWDR-NWDGAFQWSA-N 1 0 354.838 2.636 20 5 FFBDRO CSC[C@H]1CCC[N@H+](CN2CC[C@H](c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000848490622 748940018 /nfs/dbraw/zinc/94/00/18/748940018.db2.gz QAHFZGYLBWFKRG-WMLDXEAASA-N 1 0 363.483 2.943 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@]23OCCC[C@H]2C3(F)F)n1 ZINC000850532644 749382942 /nfs/dbraw/zinc/38/29/42/749382942.db2.gz MXFJQAFVRZBYGY-JLNYLFASSA-N 1 0 356.373 2.679 20 5 FFBDRO CC(C)[N@H+](CCn1cnc(Br)n1)Cc1ccc([N+](=O)[O-])cc1 ZINC000851734936 749655202 /nfs/dbraw/zinc/65/52/02/749655202.db2.gz BJRBIWIEXPHIKB-UHFFFAOYSA-N 1 0 368.235 2.859 20 5 FFBDRO CC1(C)OC[C@@H](CC[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)O1 ZINC000851791213 749676821 /nfs/dbraw/zinc/67/68/21/749676821.db2.gz VAGZCPOEIUYKIX-QGZVFWFLSA-N 1 0 350.415 2.980 20 5 FFBDRO C[N@@H+]1CCC[C@H](N2CCN(c3ccc(C(F)F)cc3[N+](=O)[O-])CC2)C1 ZINC000853341739 750050648 /nfs/dbraw/zinc/05/06/48/750050648.db2.gz VLFAEEIFHKWDFW-AWEZNQCLSA-N 1 0 354.401 2.749 20 5 FFBDRO COc1cc(N2C[C@@H](SC)[C@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])cc1C ZINC000853483868 750070717 /nfs/dbraw/zinc/07/07/17/750070717.db2.gz QGLLCMFRAAVRCH-NVXWUHKLSA-N 1 0 351.472 2.928 20 5 FFBDRO C[C@@H]([NH2+]CC(C)(C)[C@@H]1COCC12OCCO2)c1c(F)cccc1[N+](=O)[O-] ZINC000872079689 1013139843 /nfs/dbraw/zinc/13/98/43/1013139843.db2.gz OEGHCHWVCDENBP-DOMZBBRYSA-N 1 0 368.405 2.800 20 5 FFBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)n1 ZINC001167205544 960399836 /nfs/dbraw/zinc/39/98/36/960399836.db2.gz LJQBYXWKIZTZSI-KDOFPFPSSA-N 1 0 358.829 2.929 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](OC3CCC3)CC2)c1 ZINC000872274723 1013195230 /nfs/dbraw/zinc/19/52/30/1013195230.db2.gz APKZNZULFQRJTK-FUHWJXTLSA-N 1 0 364.442 2.758 20 5 FFBDRO Cc1cc(F)cc(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)c1[N+](=O)[O-] ZINC000124453616 1013450341 /nfs/dbraw/zinc/45/03/41/1013450341.db2.gz NEBXRSLHDGJEPY-UHFFFAOYSA-N 1 0 372.400 2.832 20 5 FFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)C[C@H](O)CN(C)C(=O)OC(C)(C)C ZINC001175390979 1013468130 /nfs/dbraw/zinc/46/81/30/1013468130.db2.gz UPWAULQUHBCLGL-KGLIPLIRSA-N 1 0 367.446 2.815 20 5 FFBDRO CCC1([NH+]2CCC2)CCN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC1 ZINC000924388527 965389081 /nfs/dbraw/zinc/38/90/81/965389081.db2.gz UFRLOOAZRIJGKE-UHFFFAOYSA-N 1 0 360.458 2.751 20 5 FFBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)N3CCC4(CCC4)C3)c2)CC1 ZINC000934041907 965541219 /nfs/dbraw/zinc/54/12/19/965541219.db2.gz PANMOXYTWSOUGQ-UHFFFAOYSA-N 1 0 373.457 2.755 20 5 FFBDRO CC[C@H]1CCN(C(=O)Nc2cc(N3CC[NH+](C)CC3)ccc2[N+](=O)[O-])C1 ZINC000934044383 965543791 /nfs/dbraw/zinc/54/37/91/965543791.db2.gz VFKWRTAVRPVBFH-AWEZNQCLSA-N 1 0 361.446 2.610 20 5 FFBDRO CC(C)(C)[C@H]1CCC[N@@H+]1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000729475142 965877566 /nfs/dbraw/zinc/87/75/66/965877566.db2.gz QRNXUKZPAYNKDI-GOSISDBHSA-N 1 0 374.485 2.754 20 5 FFBDRO COc1cc(C[NH2+]C[C@@H]2COCO2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000894873341 966000626 /nfs/dbraw/zinc/00/06/26/966000626.db2.gz RFIAJPXLUDREBH-MRXNPFEDSA-N 1 0 374.393 2.645 20 5 FFBDRO O=C(NC1CC1)[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000135163888 966736040 /nfs/dbraw/zinc/73/60/40/966736040.db2.gz JGVGMXJOECRVDM-GOSISDBHSA-N 1 0 357.385 2.886 20 5 FFBDRO CC(=O)Nc1cc(-n2cccc2C[NH3+])c([N+](=O)[O-])cc1Br ZINC001167595534 966760265 /nfs/dbraw/zinc/76/02/65/966760265.db2.gz CNGYLKVRUPNDPH-UHFFFAOYSA-N 1 0 353.176 2.565 20 5 FFBDRO COc1cccc(NC2(C(=O)OC(C)(C)C)CCC([NH3+])CC2)c1[N+](=O)[O-] ZINC001167643242 967125185 /nfs/dbraw/zinc/12/51/85/967125185.db2.gz UDMGGBLTQUYLKM-UHFFFAOYSA-N 1 0 365.430 2.997 20 5 FFBDRO Cc1cc(C(=O)N2CCC[C@H]([NH+]3[C@H](C)CC[C@H]3C)C2)c(N)c([N+](=O)[O-])c1 ZINC000729523261 967621199 /nfs/dbraw/zinc/62/11/99/967621199.db2.gz LEJBPDGEZSHGPL-KFWWJZLASA-N 1 0 360.458 2.963 20 5 FFBDRO O=[N+]([O-])c1cc(CO)c(N[C@@H]2[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc1F ZINC000895186122 968216827 /nfs/dbraw/zinc/21/68/27/968216827.db2.gz HRZWJEBPPRYPIZ-QWHZDKJVSA-N 1 0 357.385 2.769 20 5 FFBDRO Cc1c(C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000177606794 969284486 /nfs/dbraw/zinc/28/44/86/969284486.db2.gz PMCATXXIQHOTHT-STQMWFEESA-N 1 0 364.402 2.722 20 5 FFBDRO Cc1ccc(CNC(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)cc1[N+](=O)[O-] ZINC000892536542 969405085 /nfs/dbraw/zinc/40/50/85/969405085.db2.gz HDSXHMVXFXFAQO-QGZVFWFLSA-N 1 0 360.458 2.823 20 5 FFBDRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000874845397 1013916194 /nfs/dbraw/zinc/91/61/94/1013916194.db2.gz GGJZLLIUHJJPMO-SJLPKXTDSA-N 1 0 372.469 2.506 20 5 FFBDRO Cc1nn(CCC(=O)N2[C@H](C)CCC[C@@H]2CC[NH+](C)C)c(C)c1[N+](=O)[O-] ZINC000893027917 970509586 /nfs/dbraw/zinc/50/95/86/970509586.db2.gz ZHYWUJGXTKMZKH-CZUORRHYSA-N 1 0 365.478 2.520 20 5 FFBDRO C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000313084851 972644249 /nfs/dbraw/zinc/64/42/49/972644249.db2.gz XHVWLXQZHIKJFD-GOEBONIOSA-N 1 0 368.437 2.817 20 5 FFBDRO C[C@H](CNC(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2)c1ccccc1[N+](=O)[O-] ZINC000897059247 973205461 /nfs/dbraw/zinc/20/54/61/973205461.db2.gz BGQIRQMUGXXNFE-DNVCBOLYSA-N 1 0 360.458 2.826 20 5 FFBDRO Cn1c2ccccc2c(NCC2CC[NH+](C3CC3)CC2)c([N+](=O)[O-])c1=O ZINC000893532779 974925229 /nfs/dbraw/zinc/92/52/29/974925229.db2.gz XRSOZCCLIMMOSA-UHFFFAOYSA-N 1 0 356.426 2.733 20 5 FFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]Cc3cnn(Cc4ccccc4)c3)C2)c1 ZINC000876930306 1014424110 /nfs/dbraw/zinc/42/41/10/1014424110.db2.gz VCKUZFSKWPXIKT-UHFFFAOYSA-N 1 0 352.398 2.529 20 5 FFBDRO COCC[NH2+]C1CCN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)CC1 ZINC000876945436 1014428112 /nfs/dbraw/zinc/42/81/12/1014428112.db2.gz YVVOROSEMAOANA-UHFFFAOYSA-N 1 0 357.410 2.589 20 5 FFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@@H](Cn3cccn3)c3ccccc3)C2)c1 ZINC000877057967 1014464528 /nfs/dbraw/zinc/46/45/28/1014464528.db2.gz BKGQUADWDCXVFU-HTWSVDAQSA-N 1 0 352.398 2.722 20 5 FFBDRO COC(=O)[C@@H](Cc1ccccc1)[C@H](C)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877507675 1014606649 /nfs/dbraw/zinc/60/66/49/1014606649.db2.gz KKIUAIXFFCXEGF-CUGJKRCDSA-N 1 0 372.425 2.505 20 5 FFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CC[C@@H]2CCC3(CCOCC3)CO2)c1 ZINC000905475087 980443521 /nfs/dbraw/zinc/44/35/21/980443521.db2.gz YRNSHGKYXQDSIP-ROUUACIJSA-N 1 0 364.442 2.584 20 5 FFBDRO C[NH+](C)[C@H]1CCN(Cc2ccc(-c3cc([N+](=O)[O-])ccc3CO)cc2)C1 ZINC000906173115 980590448 /nfs/dbraw/zinc/59/04/48/980590448.db2.gz YNTVVWPAXXOKLB-IBGZPJMESA-N 1 0 355.438 2.890 20 5 FFBDRO c1cnc2c(c1)ccc1ccc(-c3noc([C@@H]4C[NH2+]C[C@H]5CCO[C@@H]54)n3)nc12 ZINC001211932489 981205261 /nfs/dbraw/zinc/20/52/61/981205261.db2.gz WXWHFIRMRNMPDF-CLCXKQKWSA-N 1 0 373.416 2.925 20 5 FFBDRO Cn1ccnc1[C@H](NC[C@@H]1CC[C@@H](C2CC2)O1)c1cccc([N+](=O)[O-])c1 ZINC000897509981 981374826 /nfs/dbraw/zinc/37/48/26/981374826.db2.gz HXCYMOSEOGPSOU-OKZBNKHCSA-N 1 0 356.426 2.965 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)[NH2+]C2CC(c3cccc(F)c3)C2)cc1 ZINC000877830423 1014745362 /nfs/dbraw/zinc/74/53/62/1014745362.db2.gz HFXAVJPXTZSPAA-IZVXFFJCSA-N 1 0 360.385 2.664 20 5 FFBDRO CC[N@@H+]1CCCN(C(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000910289558 981888654 /nfs/dbraw/zinc/88/86/54/981888654.db2.gz TWYFILHYWXZBLS-AWEZNQCLSA-N 1 0 371.441 2.552 20 5 FFBDRO C[NH+](C)CCc1ccc(C(=O)NCc2cc([N+](=O)[O-])c(F)cc2F)cc1 ZINC000911475094 982247596 /nfs/dbraw/zinc/24/75/96/982247596.db2.gz QMHFRFLZUHISSA-UHFFFAOYSA-N 1 0 363.364 2.907 20 5 FFBDRO O=[N+]([O-])c1ccccc1-c1nnc(CN2CC[C@@H]([NH+]3CCCCC3)C2)o1 ZINC000878087215 1014853336 /nfs/dbraw/zinc/85/33/36/1014853336.db2.gz YBQCQOBVWPYLNY-CQSZACIVSA-N 1 0 357.414 2.705 20 5 FFBDRO C[N@@H+]1CCC[C@H]2CN(Cc3nnc(-c4ccccc4[N+](=O)[O-])o3)CC[C@H]21 ZINC000878198463 1014910757 /nfs/dbraw/zinc/91/07/57/1014910757.db2.gz WWELDKVQOINJIB-DZGCQCFKSA-N 1 0 357.414 2.561 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000878286177 1014966804 /nfs/dbraw/zinc/96/68/04/1014966804.db2.gz KIVJQCXFWCXKHH-IAGOWNOFSA-N 1 0 362.405 2.827 20 5 FFBDRO C[C@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000138831673 984441734 /nfs/dbraw/zinc/44/17/34/984441734.db2.gz NYJMIMRMVKAMEF-ZIAGYGMSSA-N 1 0 367.450 2.559 20 5 FFBDRO C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000157321246 984539094 /nfs/dbraw/zinc/53/90/94/984539094.db2.gz SWMHYXHLOKJLNB-DHZHZOJOSA-N 1 0 369.421 2.904 20 5 FFBDRO Cc1c(C(=O)N2CCCC[C@H]2C[NH+](C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000826047783 1015089239 /nfs/dbraw/zinc/08/92/39/1015089239.db2.gz BGINFPUZRWEOGV-ZDUSSCGKSA-N 1 0 364.402 2.676 20 5 FFBDRO Cn1cc(C[NH2+]C[C@H](O)c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000171048846 985208121 /nfs/dbraw/zinc/20/81/21/985208121.db2.gz GZRBPAPFICHVDX-SFHVURJKSA-N 1 0 352.394 2.819 20 5 FFBDRO CC(C)c1ccccc1C[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000997770922 985733157 /nfs/dbraw/zinc/73/31/57/985733157.db2.gz BTWZTYLTFBVQMC-RTBURBONSA-N 1 0 359.470 2.803 20 5 FFBDRO O=C1[C@H]([N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CCN1C1CCOCC1 ZINC000451552145 987440987 /nfs/dbraw/zinc/44/09/87/987440987.db2.gz VSWOYOLTRWQJAF-VQIMIIECSA-N 1 0 373.453 2.554 20 5 FFBDRO C[C@H](CNc1ccc([N+](=O)[O-])c2nonc21)[N@@H+]1CCc2ccccc2C1 ZINC000914863018 988001476 /nfs/dbraw/zinc/00/14/76/988001476.db2.gz CZQDDSSYNLAHGA-GFCCVEGCSA-N 1 0 353.382 2.990 20 5 FFBDRO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000922878710 988971152 /nfs/dbraw/zinc/97/11/52/988971152.db2.gz SFTZRVBXYGRUIO-PFONDFGASA-N 1 0 373.453 2.758 20 5 FFBDRO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC[NH+](Cc2cc3ccccc3o2)CC1 ZINC001005377314 989742657 /nfs/dbraw/zinc/74/26/57/989742657.db2.gz ATGALXQWTRPDOJ-IAGOWNOFSA-N 1 0 357.410 2.521 20 5 FFBDRO CC1CCC([N@H+](C)CN2C(=O)N[C@@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)CC1 ZINC000917456319 990222890 /nfs/dbraw/zinc/22/28/90/990222890.db2.gz OMQIIRXEMOGQTB-XBMPDCEQSA-N 1 0 374.441 2.830 20 5 FFBDRO Cc1ccccc1C[NH2+]Cc1ccc(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001034817123 990276750 /nfs/dbraw/zinc/27/67/50/990276750.db2.gz YXISOIGKZKWLOC-RTBURBONSA-N 1 0 353.422 2.566 20 5 FFBDRO COC(=O)[C@H](C)[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000154619757 990325925 /nfs/dbraw/zinc/32/59/25/990325925.db2.gz HPZCWORBYPDFAC-BVGQSLNGSA-N 1 0 358.394 2.768 20 5 FFBDRO C[C@H](NC(=O)C1CCC([NH+]2CCOCC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000901331100 990681891 /nfs/dbraw/zinc/68/18/91/990681891.db2.gz WJUKHPYAGVPFTP-FHERZECASA-N 1 0 361.442 2.663 20 5 FFBDRO Cc1nn(C)c(C)c1CC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000237698291 991315845 /nfs/dbraw/zinc/31/58/45/991315845.db2.gz NOKKPQFIJPVEBA-UHFFFAOYSA-N 1 0 368.441 2.678 20 5 FFBDRO Cc1c([N+](=O)[O-])cc(C(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000068084590 991331232 /nfs/dbraw/zinc/33/12/32/991331232.db2.gz XHWFCKSHZXPAKH-RYUDHWBXSA-N 1 0 364.402 2.662 20 5 FFBDRO C[NH+](C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C1CCCCC1 ZINC000068117826 991340382 /nfs/dbraw/zinc/34/03/82/991340382.db2.gz QPUMTCGELBUZCX-INIZCTEOSA-N 1 0 364.402 2.743 20 5 FFBDRO Cc1ccc(CNC(=O)c2ccccc2N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC001132637757 995035777 /nfs/dbraw/zinc/03/57/77/995035777.db2.gz WBYLRENAIFZXKV-UHFFFAOYSA-N 1 0 368.437 2.585 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)OCc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000811448658 995149993 /nfs/dbraw/zinc/14/99/93/995149993.db2.gz XQZPRHYOJHWSJN-QGZVFWFLSA-N 1 0 365.361 2.992 20 5 FFBDRO CC[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000812853531 995555998 /nfs/dbraw/zinc/55/59/98/995555998.db2.gz RMXSKMQXOFANBL-ZAAXVRCTSA-N 1 0 374.437 2.779 20 5 FFBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)cc1[N+](=O)[O-] ZINC000813330187 995666420 /nfs/dbraw/zinc/66/64/20/995666420.db2.gz UMGOASWIBJZVPR-VXGBXAGGSA-N 1 0 368.393 2.845 20 5 FFBDRO CC[NH+](CC)[C@H](CNC(=O)Nc1ccc(N)c([N+](=O)[O-])c1)c1ccco1 ZINC000823998950 996774475 /nfs/dbraw/zinc/77/44/75/996774475.db2.gz XOKJLWCRIIRMJZ-OAHLLOKOSA-N 1 0 361.402 2.975 20 5 FFBDRO COC(=O)C1CCC([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000730107216 996836232 /nfs/dbraw/zinc/83/62/32/996836232.db2.gz CLVNJZMKCGDVIX-UHFFFAOYSA-N 1 0 372.425 2.817 20 5 FFBDRO O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000824616431 997014913 /nfs/dbraw/zinc/01/49/13/997014913.db2.gz VWGMXBDSGSKORX-OALUTQOASA-N 1 0 369.421 2.582 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCN(CCc2ccncc2)CC1 ZINC000825105671 997199082 /nfs/dbraw/zinc/19/90/82/997199082.db2.gz OGOPENYFKPSNJG-UHFFFAOYSA-N 1 0 368.437 2.607 20 5 FFBDRO C[NH+](C)CCN(Cc1ccccn1)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000730547832 997278271 /nfs/dbraw/zinc/27/82/71/997278271.db2.gz JAJYUGYZPJYSIY-DHZHZOJOSA-N 1 0 354.410 2.593 20 5 FFBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)[N@@H+]1CCCC[C@@H]1C ZINC000825460552 997386499 /nfs/dbraw/zinc/38/64/99/997386499.db2.gz AHPAKNJVZGSREG-STQMWFEESA-N 1 0 366.437 2.793 20 5 FFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCc2ccc3c(c2)OC(F)(F)O3)c1 ZINC000844278532 997759957 /nfs/dbraw/zinc/75/99/57/997759957.db2.gz PUUARZXCUQEYLE-AWEZNQCLSA-N 1 0 366.320 2.782 20 5 FFBDRO COC(=O)[C@@H]1C[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H]1c1ccccc1 ZINC000844428571 997899900 /nfs/dbraw/zinc/89/99/00/997899900.db2.gz WZJYWPXXVDUSKW-OTWHNJEPSA-N 1 0 370.405 2.517 20 5 FFBDRO CCCCCC[N@H+](C)CC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000731871551 998312395 /nfs/dbraw/zinc/31/23/95/998312395.db2.gz IFNTVDFDZWQSEC-UHFFFAOYSA-N 1 0 362.474 2.756 20 5 FFBDRO O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000737413452 999599014 /nfs/dbraw/zinc/59/90/14/999599014.db2.gz CFVUSIXICGBSBG-INIZCTEOSA-N 1 0 372.469 2.942 20 5 FFBDRO CC[NH+](CC)CC1CCN(Cn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1 ZINC000738070547 999615757 /nfs/dbraw/zinc/61/57/57/999615757.db2.gz IPQJYCQGRMPCMC-UHFFFAOYSA-N 1 0 362.430 2.514 20 5 FFBDRO CC[C@H]1CCC[N@H+](CN2C(=O)N[C@@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)CC1 ZINC000738252817 999623277 /nfs/dbraw/zinc/62/32/77/999623277.db2.gz CANVAJFKXRALLR-LIRRHRJNSA-N 1 0 374.441 2.831 20 5 FFBDRO C[C@H]1CCCCC[N@@H+]1CN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000738227505 999623354 /nfs/dbraw/zinc/62/33/54/999623354.db2.gz WJRVSIPOHKONQV-UGSOOPFHSA-N 1 0 360.414 2.584 20 5 FFBDRO CC[C@@H](C(=O)OCc1nc(-c2cccc([N+](=O)[O-])c2)no1)[NH+](CC)CC ZINC000741032531 999701761 /nfs/dbraw/zinc/70/17/61/999701761.db2.gz GTBKDWAIAGTSMK-AWEZNQCLSA-N 1 0 362.386 2.808 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2ncn(CN3CCC(OCC4CC4)CC3)n2)c1 ZINC000743405952 999818286 /nfs/dbraw/zinc/81/82/86/999818286.db2.gz AZLUNLSDYRCZCA-UHFFFAOYSA-N 1 0 357.414 2.702 20 5 FFBDRO Cc1c([N+](=O)[O-])cc(C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000743717536 999829853 /nfs/dbraw/zinc/82/98/53/999829853.db2.gz HEFJDWOMXPYZKB-CQSZACIVSA-N 1 0 364.402 2.758 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CCc3ccc4c(c3)CCO4)CC2)cc1 ZINC000743836082 999833151 /nfs/dbraw/zinc/83/31/51/999833151.db2.gz QADKIXUZIJZEBF-UHFFFAOYSA-N 1 0 353.422 2.894 20 5 FFBDRO C[C@H]1CC[N@H+](CCNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C1 ZINC000744798053 999876321 /nfs/dbraw/zinc/87/63/21/999876321.db2.gz FPTKPZOMHQICHL-HNNXBMFYSA-N 1 0 360.458 2.657 20 5 FFBDRO C[N@H+](CC1CC1)C[C@H]1CCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC000746390668 999985262 /nfs/dbraw/zinc/98/52/62/999985262.db2.gz BIYNZVKPKYPYQO-CQSZACIVSA-N 1 0 358.442 2.648 20 5 FFBDRO Cc1c(Cl)nc(-c2ccc([N+](=O)[O-])cc2)nc1-n1cc(CC[NH3+])cn1 ZINC001168947372 1000011001 /nfs/dbraw/zinc/01/10/01/1000011001.db2.gz ZKEOBCASIDFENZ-UHFFFAOYSA-N 1 0 358.789 2.701 20 5 FFBDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)C(F)(F)C1 ZINC001168969042 1000013551 /nfs/dbraw/zinc/01/35/51/1000013551.db2.gz BQLZMMSAHJIAGZ-XQQFMLRXSA-N 1 0 363.405 2.666 20 5 FFBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C2CCN(Cc3cc(F)ccc3F)CC2)C1 ZINC001168993620 1000014038 /nfs/dbraw/zinc/01/40/38/1000014038.db2.gz NTYQKKUGVJNIEJ-CXAGYDPISA-N 1 0 353.413 2.964 20 5 FFBDRO COc1ccc(F)c(CN2CCC([NH2+][C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)c1 ZINC001168997098 1000014237 /nfs/dbraw/zinc/01/42/37/1000014237.db2.gz XPHZHFMZGBTRSD-YOEHRIQHSA-N 1 0 365.449 2.834 20 5 FFBDRO COc1cc(-n2c(CCC[NH3+])nc3ccc(Cl)cc32)cnc1[N+](=O)[O-] ZINC001169000091 1000014517 /nfs/dbraw/zinc/01/45/17/1000014517.db2.gz UZPFGCUDHWQTFR-UHFFFAOYSA-N 1 0 361.789 2.882 20 5 FFBDRO O=C([C@H](Cc1ccccc1)[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)N1CCCCC1 ZINC001169004314 1000014813 /nfs/dbraw/zinc/01/48/13/1000014813.db2.gz QLRZCSRRTGESKU-OTWHNJEPSA-N 1 0 359.470 2.645 20 5 FFBDRO CC(C)(C)OC(=O)N1CC[C@]12CCC[N@@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169011026 1000015182 /nfs/dbraw/zinc/01/51/82/1000015182.db2.gz HJVQLCGPXUFKPK-VKJFTORMSA-N 1 0 353.463 2.907 20 5 FFBDRO CC(C)(C)OC(=O)N1CCCC2(C[NH+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C2)C1 ZINC001169011058 1000015436 /nfs/dbraw/zinc/01/54/36/1000015436.db2.gz HWCNGWDTIIHHSF-LSDHHAIUSA-N 1 0 353.463 2.765 20 5 FFBDRO CC(C)(C)OC(=O)Nc1ccc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)cn1 ZINC001168986977 1000015927 /nfs/dbraw/zinc/01/59/27/1000015927.db2.gz GSRSVZVUBMLKLE-TZMCWYRMSA-N 1 0 350.419 2.964 20 5 FFBDRO CC(C)(C)NC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169037962 1000016755 /nfs/dbraw/zinc/01/67/55/1000016755.db2.gz ULJUQMQQOIPVBR-JLSDUUJJSA-N 1 0 359.470 2.773 20 5 FFBDRO O=C1Nc2ccccc2CN1[C@H]1CCC[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169051367 1000018829 /nfs/dbraw/zinc/01/88/29/1000018829.db2.gz DNPVAYOLAKCQJJ-PVAVHDDUSA-N 1 0 358.442 2.944 20 5 FFBDRO C[C@H](CNc1ccc(N)cc1[N+](=O)[O-])[NH+]1CCN(c2ccccc2)CC1 ZINC000804350270 1000105608 /nfs/dbraw/zinc/10/56/08/1000105608.db2.gz XNMLQUUDQNKPSB-OAHLLOKOSA-N 1 0 355.442 2.800 20 5 FFBDRO O=C(NCC1=CC[N@H+](Cc2cccc3ccccc32)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001000672917 1016420367 /nfs/dbraw/zinc/42/03/67/1016420367.db2.gz BWKSUHPYPHBSFA-WOJBJXKFSA-N 1 0 365.433 2.753 20 5 FFBDRO Cc1ccc(NCCCNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)c([N+](=O)[O-])c1 ZINC001147330727 1000872470 /nfs/dbraw/zinc/87/24/70/1000872470.db2.gz CJAOBOIGJWJMTN-WBVHZDCISA-N 1 0 360.458 2.838 20 5 FFBDRO Cc1cc(-n2nnc3ccc(C[NH3+])cc32)c([N+](=O)[O-])cc1Br ZINC001170025474 1001092400 /nfs/dbraw/zinc/09/24/00/1001092400.db2.gz BLDBMWCENZTJOD-UHFFFAOYSA-N 1 0 362.187 2.858 20 5 FFBDRO Cc1c(Cl)nc(-c2ccc([N+](=O)[O-])cc2)nc1NC[C@@H]1CCCC[NH2+]1 ZINC001171331089 1001137614 /nfs/dbraw/zinc/13/76/14/1001137614.db2.gz ZEVJSBWRNCPSNH-ZDUSSCGKSA-N 1 0 361.833 2.990 20 5 FFBDRO COc1ccc(C[NH2+][C@H](C)c2ccc(N3CCNC3=O)cc2)cc1[N+](=O)[O-] ZINC000786805930 1001630744 /nfs/dbraw/zinc/63/07/44/1001630744.db2.gz AACHEAWMYQCJOV-CYBMUJFWSA-N 1 0 370.409 2.984 20 5 FFBDRO C[C@](O)(C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)c1ccc(F)cc1 ZINC000788435237 1001800789 /nfs/dbraw/zinc/80/07/89/1001800789.db2.gz GSDIZKHOLIDYRX-BQFCYCMXSA-N 1 0 362.405 2.911 20 5 FFBDRO Cc1ccc(CN2CC[C@H]([NH2+][C@H](C)c3ccc(N)c([N+](=O)[O-])c3)C2=O)cc1 ZINC000788787206 1001879205 /nfs/dbraw/zinc/87/92/05/1001879205.db2.gz ZROMMBBCUBGDEA-KDOFPFPSSA-N 1 0 368.437 2.937 20 5 FFBDRO O=C1OCCN1[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000826995068 1016548740 /nfs/dbraw/zinc/54/87/40/1016548740.db2.gz QMKCNYXQOPISTF-CYBMUJFWSA-N 1 0 357.366 2.881 20 5 FFBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCN(c2cc[nH+]cc2)C1 ZINC001183085539 1002142822 /nfs/dbraw/zinc/14/28/22/1002142822.db2.gz NLZXBLYNOJSHTN-AWEZNQCLSA-N 1 0 374.828 2.828 20 5 FFBDRO C[NH+](C)[C@H]1CCOc2c(NC(=O)c3cc([N+](=O)[O-])ccc3N)cccc21 ZINC000790238169 1002310621 /nfs/dbraw/zinc/31/06/21/1002310621.db2.gz LEVLVUKZSGTDLM-INIZCTEOSA-N 1 0 356.382 2.815 20 5 FFBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000791208344 1002618067 /nfs/dbraw/zinc/61/80/67/1002618067.db2.gz HIPICOKYZPVVDL-OLZOCXBDSA-N 1 0 366.437 2.650 20 5 FFBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)C[NH+]1CCCCC1 ZINC000791208978 1002618673 /nfs/dbraw/zinc/61/86/73/1002618673.db2.gz KTPBYIWCHYXVIS-ZDUSSCGKSA-N 1 0 366.437 2.652 20 5 FFBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000791299603 1002637779 /nfs/dbraw/zinc/63/77/79/1002637779.db2.gz CHQSHIBDXWVZKO-SFHVURJKSA-N 1 0 372.400 2.883 20 5 FFBDRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000791331928 1002655686 /nfs/dbraw/zinc/65/56/86/1002655686.db2.gz JEECTIBAXMMGDE-RYUDHWBXSA-N 1 0 366.437 2.802 20 5 FFBDRO CC(C)[NH+]1CCN(CCCOC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000792189272 1002939581 /nfs/dbraw/zinc/93/95/81/1002939581.db2.gz KTZHKENIFUSOEV-INIZCTEOSA-N 1 0 363.458 2.658 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH+]2CCC(Oc3ccc(F)nc3)CC2)cc1 ZINC000792386693 1002993397 /nfs/dbraw/zinc/99/33/97/1002993397.db2.gz ZPUDBMXKKDJTMV-QGZVFWFLSA-N 1 0 361.373 2.706 20 5 FFBDRO COc1ccc(C[C@H](C)[NH2+]CCN2CCCC(F)(F)C2)c([N+](=O)[O-])c1 ZINC001170319631 1003108622 /nfs/dbraw/zinc/10/86/22/1003108622.db2.gz XPDWVPKALTZUNH-ZDUSSCGKSA-N 1 0 357.401 2.855 20 5 FFBDRO COc1ccc(C[C@H](C)N(C)Cc2nnc3ccccn32)c([N+](=O)[O-])c1 ZINC001170336161 1003118143 /nfs/dbraw/zinc/11/81/43/1003118143.db2.gz VAONSZJKQPXWJB-ZDUSSCGKSA-N 1 0 355.398 2.709 20 5 FFBDRO COc1ccc(C[C@@H](C)[N@@H+]2CCN(C)c3ncccc3C2)c([N+](=O)[O-])c1 ZINC001170340107 1003130232 /nfs/dbraw/zinc/13/02/32/1003130232.db2.gz DMNZJLRLKSUDAF-CQSZACIVSA-N 1 0 356.426 2.881 20 5 FFBDRO COC(=O)[C@@H]1CCC[N@H+]([C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])[C@@H]1C ZINC001170345208 1003132291 /nfs/dbraw/zinc/13/22/91/1003132291.db2.gz HYRTVJQDWWWGBM-XJKCOSOUSA-N 1 0 350.415 2.808 20 5 FFBDRO COc1ccc(C[C@@H](C)N(c2ncccn2)[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001170347562 1003133788 /nfs/dbraw/zinc/13/37/88/1003133788.db2.gz RWOQIHIYGXNMIQ-ZBFHGGJFSA-N 1 0 371.441 2.583 20 5 FFBDRO COc1ccc(C[C@@H](C)[NH+]2CCC(NC(=O)C3CC3)CC2)c([N+](=O)[O-])c1 ZINC001170347490 1003134201 /nfs/dbraw/zinc/13/42/01/1003134201.db2.gz RGGWDYHYHQNCGX-CYBMUJFWSA-N 1 0 361.442 2.525 20 5 FFBDRO COc1ccc(C[C@H](C)[N@@H+]2CCC[C@H](Oc3cnccn3)C2)c([N+](=O)[O-])c1 ZINC001170351242 1003136755 /nfs/dbraw/zinc/13/67/55/1003136755.db2.gz BQLDCTXCJDZQON-YOEHRIQHSA-N 1 0 372.425 2.868 20 5 FFBDRO O=C(O[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1)c1ccc2c[nH+]cn2c1 ZINC000793278051 1003324686 /nfs/dbraw/zinc/32/46/86/1003324686.db2.gz WQYHABSQHWTJTM-QGZVFWFLSA-N 1 0 352.350 2.678 20 5 FFBDRO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CC[N@H+](C)C2(CCCCC2)C1 ZINC001186499652 1003328249 /nfs/dbraw/zinc/32/82/49/1003328249.db2.gz NPVNOHGSNLULDS-UHFFFAOYSA-N 1 0 361.368 2.802 20 5 FFBDRO COC(=O)c1ncc([N+](=O)[O-])cc1NC1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001170453285 1003690528 /nfs/dbraw/zinc/69/05/28/1003690528.db2.gz HJSJIVQUIUMZBJ-UHFFFAOYSA-N 1 0 350.419 2.840 20 5 FFBDRO COc1ccc(OCC[N@H+](C)CCC(=O)OC(C)(C)C)c([N+](=O)[O-])c1 ZINC001192253035 1004097372 /nfs/dbraw/zinc/09/73/72/1004097372.db2.gz NWDASLNROUILHQ-UHFFFAOYSA-N 1 0 354.403 2.646 20 5 FFBDRO CCNC(=O)c1cccc(NC(=O)C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC001197647570 1004300870 /nfs/dbraw/zinc/30/08/70/1004300870.db2.gz SFASFPUZSHTCKR-CYBMUJFWSA-N 1 0 370.409 2.634 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC001197668185 1004307549 /nfs/dbraw/zinc/30/75/49/1004307549.db2.gz IAYPCWSGOUZAID-ZDUSSCGKSA-N 1 0 371.397 2.741 20 5 FFBDRO CCCN(CC[NH+](CC)CC)C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000828529435 1004581910 /nfs/dbraw/zinc/58/19/10/1004581910.db2.gz MDMGBKMOLSFLID-UHFFFAOYSA-N 1 0 368.453 2.994 20 5 FFBDRO C[N@@H+]1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CC1(C)C ZINC001198584053 1004684051 /nfs/dbraw/zinc/68/40/51/1004684051.db2.gz REIMDMZOZYEPAU-UHFFFAOYSA-N 1 0 358.345 2.754 20 5 FFBDRO CC[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001194731789 1004796062 /nfs/dbraw/zinc/79/60/62/1004796062.db2.gz GBLJOGATABMJPT-ZWNOBZJWSA-N 1 0 366.805 2.891 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]Cc2ccc(Cn3cccn3)cc2)cc1 ZINC000776280426 1005346268 /nfs/dbraw/zinc/34/62/68/1005346268.db2.gz ZRZGMEMUVNFRKK-IBGZPJMESA-N 1 0 352.394 2.663 20 5 FFBDRO NC(=O)CC1(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCCCC1 ZINC000850574419 1005823383 /nfs/dbraw/zinc/82/33/83/1005823383.db2.gz YFJQIMCIBUQMTA-UHFFFAOYSA-N 1 0 374.485 2.979 20 5 FFBDRO CCc1c[nH]c(=O)c(C(=O)O[C@H]2CCN(Cc3cccc([N+](=O)[O-])c3)C2)c1 ZINC000851035424 1005858101 /nfs/dbraw/zinc/85/81/01/1005858101.db2.gz LUSSIWYXPMMPFF-INIZCTEOSA-N 1 0 371.393 2.689 20 5 FFBDRO C[C@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)CCN1c1cc[nH+]cc1 ZINC000881635761 1006166752 /nfs/dbraw/zinc/16/67/52/1006166752.db2.gz NGMQPGFMHWPSNC-HNNXBMFYSA-N 1 0 354.410 2.660 20 5 FFBDRO CC[NH+](CC)C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)C1 ZINC000882032421 1006285234 /nfs/dbraw/zinc/28/52/34/1006285234.db2.gz HJERQDWBAVNYCW-CQSZACIVSA-N 1 0 360.458 2.655 20 5 FFBDRO O=[N+]([O-])c1cn(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)nc1-c1ccccn1 ZINC000853517490 1006422647 /nfs/dbraw/zinc/42/26/47/1006422647.db2.gz VEVMZJRHZJRNFH-KYJSFNMBSA-N 1 0 371.441 2.826 20 5 FFBDRO CC(C)C[N@@H+]1CCO[C@H](COC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc32)C1 ZINC000805570444 1006485223 /nfs/dbraw/zinc/48/52/23/1006485223.db2.gz YROGLGWUAUTDOP-AWEZNQCLSA-N 1 0 361.398 2.590 20 5 FFBDRO Cc1c(C(=O)NC2CCC(C[NH+](C)C)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000130424961 1006550386 /nfs/dbraw/zinc/55/03/86/1006550386.db2.gz SQHSIAVQMQUERF-UHFFFAOYSA-N 1 0 364.402 2.662 20 5 FFBDRO C[C@@H]([NH2+][C@H]1CCN(c2ccccc2F)C1=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815592443 1006701335 /nfs/dbraw/zinc/70/13/35/1006701335.db2.gz IZANBVZSIHPXHM-ABAIWWIYSA-N 1 0 358.373 2.772 20 5 FFBDRO C[C@@H]([NH2+][C@@H]1CC(=O)N(c2ccccc2F)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815628353 1006720674 /nfs/dbraw/zinc/72/06/74/1006720674.db2.gz YJMZQNKEFICCLV-DGCLKSJQSA-N 1 0 358.373 2.772 20 5 FFBDRO CCC[C@@H](C)C(=O)NCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000815633121 1006722088 /nfs/dbraw/zinc/72/20/88/1006722088.db2.gz GTYBFIAIUGWXHX-OAHLLOKOSA-N 1 0 362.474 2.706 20 5 FFBDRO C/C(=C\C(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000854333301 1006783444 /nfs/dbraw/zinc/78/34/44/1006783444.db2.gz PNAPOKBRCHZSTH-WXWBBQJKSA-N 1 0 373.453 2.711 20 5 FFBDRO COc1ccc([C@@H]2C[NH2+]CCN2C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000883521522 1006835560 /nfs/dbraw/zinc/83/55/60/1006835560.db2.gz JENKGUKSBKRGAL-KRWDZBQOSA-N 1 0 356.382 2.782 20 5 FFBDRO CCC[NH+]1CCC(CNC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)CC1 ZINC000133282961 1007111981 /nfs/dbraw/zinc/11/19/81/1007111981.db2.gz XZUQVAKURKCTOB-UHFFFAOYSA-N 1 0 364.402 2.663 20 5 FFBDRO Cc1c(C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000855160110 1007139148 /nfs/dbraw/zinc/13/91/48/1007139148.db2.gz NVYZIEUGKIQPAU-GFCCVEGCSA-N 1 0 364.402 2.662 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000855286566 1007245506 /nfs/dbraw/zinc/24/55/06/1007245506.db2.gz TVWCPWRUHMMUEN-LLVKDONJSA-N 1 0 357.813 2.919 20 5 FFBDRO CCN(C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C)[C@H]1CC[N@H+](CC)C1 ZINC000855490185 1007366094 /nfs/dbraw/zinc/36/60/94/1007366094.db2.gz FBDQIAJPNOWEAZ-ZDUSSCGKSA-N 1 0 364.402 2.676 20 5 FFBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CC[NH2+]C(C)(C)C2)CC1 ZINC000817993281 1007840736 /nfs/dbraw/zinc/84/07/36/1007840736.db2.gz CZZABBGPYRHLAB-UHFFFAOYSA-N 1 0 360.458 2.655 20 5 FFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@H](O)CN(C)C(=O)OC(C)(C)C ZINC000818165187 1007874969 /nfs/dbraw/zinc/87/49/69/1007874969.db2.gz QITKQRYFMXIDFF-BBRMVZONSA-N 1 0 367.446 2.815 20 5 FFBDRO O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N1CC[NH+](C2CCCC2)CC1 ZINC001136177356 1008005360 /nfs/dbraw/zinc/00/53/60/1008005360.db2.gz IMWYSHMMXLZGGV-UHFFFAOYSA-N 1 0 351.834 2.878 20 5 FFBDRO Cc1ccc(NCCC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC000819092869 1008031808 /nfs/dbraw/zinc/03/18/08/1008031808.db2.gz GJLSSEFYZKZMKS-GOSISDBHSA-N 1 0 374.397 2.937 20 5 FFBDRO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819071930 1008036442 /nfs/dbraw/zinc/03/64/42/1008036442.db2.gz FGFSLOHVTDWUCI-HOCLYGCPSA-N 1 0 365.430 2.617 20 5 FFBDRO C[C@@H](c1ccncc1)N1CCC([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000819184253 1008060991 /nfs/dbraw/zinc/06/09/91/1008060991.db2.gz XQSNWOZQPCEQNZ-YWZLYKJASA-N 1 0 370.453 2.838 20 5 FFBDRO COc1ccc(OC)c(CCC[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000819190646 1008061721 /nfs/dbraw/zinc/06/17/21/1008061721.db2.gz KWYZONXUEPHKOP-SFHVURJKSA-N 1 0 360.410 2.868 20 5 FFBDRO COc1ccccc1OC[C@@H](C)C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819196445 1008064348 /nfs/dbraw/zinc/06/43/48/1008064348.db2.gz RCXQTHCIKDRWAA-WMLDXEAASA-N 1 0 360.410 2.942 20 5 FFBDRO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819235895 1008067031 /nfs/dbraw/zinc/06/70/31/1008067031.db2.gz YXGLVASVGRGKLU-UIAACRFSSA-N 1 0 355.438 2.738 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@@H]2CCN(c3ccccc3F)C2)cc1 ZINC000819327205 1008099644 /nfs/dbraw/zinc/09/96/44/1008099644.db2.gz ZCFPOGKYPHRHME-IFXJQAMLSA-N 1 0 359.401 2.883 20 5 FFBDRO C[C@@H]1[C@@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000819316076 1008110546 /nfs/dbraw/zinc/11/05/46/1008110546.db2.gz MVMWXMQWNYQTIA-UIAACRFSSA-N 1 0 355.438 2.881 20 5 FFBDRO O=C(N1CCC([C@@H]2CCC[NH2+]2)CC1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857762849 1008203927 /nfs/dbraw/zinc/20/39/27/1008203927.db2.gz GDNXOHPSMIGPMO-HNNXBMFYSA-N 1 0 369.368 2.557 20 5 FFBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000820503037 1008346158 /nfs/dbraw/zinc/34/61/58/1008346158.db2.gz DSNZHGDAKISEPW-PBHICJAKSA-N 1 0 360.458 2.750 20 5 FFBDRO CCOC(=O)C1=CC[C@H]([NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000858504601 1008370941 /nfs/dbraw/zinc/37/09/41/1008370941.db2.gz UWWLLPKHRFGNQS-DOMZBBRYSA-N 1 0 361.398 2.553 20 5 FFBDRO CCOC(=O)C1=CC[C@@H]([NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000858504156 1008371014 /nfs/dbraw/zinc/37/10/14/1008371014.db2.gz MDZCGNHAGJTSBR-IUODEOHRSA-N 1 0 361.398 2.553 20 5 FFBDRO CC1(C)CCC[C@@](CO)([NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000859618388 1008589406 /nfs/dbraw/zinc/58/94/06/1008589406.db2.gz RRUXSZGKRIAWIJ-GOSISDBHSA-N 1 0 367.421 2.983 20 5 FFBDRO CCOc1cc(N2CC[NH+](C[C@@H]3C[C@@]34CCOC4)CC2)ccc1[N+](=O)[O-] ZINC000886181383 1008598152 /nfs/dbraw/zinc/59/81/52/1008598152.db2.gz KNPQAJGWPZSXOH-HNAYVOBHSA-N 1 0 361.442 2.542 20 5 FFBDRO C[NH+](C)CC[C@H]1CCN(C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC001177531875 1008644887 /nfs/dbraw/zinc/64/48/87/1008644887.db2.gz ICGJPOJLVYVLBW-ZDUSSCGKSA-N 1 0 353.850 2.981 20 5 FFBDRO Cc1ccccc1[C@H](CO)[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000886436000 1008682180 /nfs/dbraw/zinc/68/21/80/1008682180.db2.gz OFARSJZYPDNQIN-SFHVURJKSA-N 1 0 357.410 2.897 20 5 FFBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000859960185 1008750592 /nfs/dbraw/zinc/75/05/92/1008750592.db2.gz BRHILWCTEDRARW-INIZCTEOSA-N 1 0 359.426 2.835 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H]1CCc2c1cccc2F ZINC000886922075 1008938387 /nfs/dbraw/zinc/93/83/87/1008938387.db2.gz QKYHPAXJRGGPIP-HNNXBMFYSA-N 1 0 359.357 2.958 20 5 FFBDRO C[NH+](C)CC[C@H](NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)c1cccnc1 ZINC001178401457 1008966118 /nfs/dbraw/zinc/96/61/18/1008966118.db2.gz VEOLPLIXHRXLAJ-HNNXBMFYSA-N 1 0 367.409 2.894 20 5 FFBDRO C[C@H]1CN(c2cc[nH+]cc2)CCN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000887134044 1009045971 /nfs/dbraw/zinc/04/59/71/1009045971.db2.gz AYUUHZDTSHCLPM-ZDUSSCGKSA-N 1 0 352.398 2.577 20 5 FFBDRO O=C(OCC12CCC[NH+](CCC1)C2)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000861357396 1009374183 /nfs/dbraw/zinc/37/41/83/1009374183.db2.gz NICSVTLPUQGDFT-UHFFFAOYSA-N 1 0 370.409 2.813 20 5 FFBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000861984536 1009647604 /nfs/dbraw/zinc/64/76/04/1009647604.db2.gz GUEYPPLSBAZSRU-FOCLMDBBSA-N 1 0 373.453 2.711 20 5 FFBDRO [NH3+]C[C@H]1COc2ccccc2N1c1cc([N+](=O)[O-])cc(Br)n1 ZINC001171400161 1010078693 /nfs/dbraw/zinc/07/86/93/1010078693.db2.gz LAGPIOTVIHTBDL-JTQLQIEISA-N 1 0 365.187 2.610 20 5 FFBDRO O=C1CN(C[N@@H+]2CCCC3(CC3)CC2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000863331233 1010178731 /nfs/dbraw/zinc/17/87/31/1010178731.db2.gz IRBUOXWOWICSDC-UHFFFAOYSA-N 1 0 358.398 2.587 20 5 FFBDRO COc1cc(CN(C)C[C@H](C)[NH3+])c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000863652075 1010276408 /nfs/dbraw/zinc/27/64/08/1010276408.db2.gz PUHHERKHZDVJLB-AWEZNQCLSA-N 1 0 359.426 2.961 20 5 FFBDRO CC(C)(C(=O)NCCCCc1cc[nH+]c(N)c1)c1ccc([N+](=O)[O-])cc1 ZINC001181960496 1010324438 /nfs/dbraw/zinc/32/44/38/1010324438.db2.gz WSNAKYOWBZMDAP-UHFFFAOYSA-N 1 0 356.426 2.989 20 5 FFBDRO CC1CCC([NH+]2CCN(Cn3c(=O)oc4cccc([N+](=O)[O-])c43)CC2)CC1 ZINC000794627436 1010446879 /nfs/dbraw/zinc/44/68/79/1010446879.db2.gz DSLPVPLPNZQRFF-UHFFFAOYSA-N 1 0 374.441 2.657 20 5 FFBDRO CC(C)(C)OC(=O)NCCC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000774169198 1010499287 /nfs/dbraw/zinc/49/92/87/1010499287.db2.gz LFVDHPIQZKZHPI-KGLIPLIRSA-N 1 0 367.450 2.779 20 5 FFBDRO CN(C)C(=O)CC[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2C(F)F)CC1 ZINC000865529796 1010807697 /nfs/dbraw/zinc/80/76/97/1010807697.db2.gz RGSCTOMHOPLFFZ-UHFFFAOYSA-N 1 0 370.400 2.887 20 5 FFBDRO C[C@@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)CC1(C)OCCO1 ZINC000866424787 1010991727 /nfs/dbraw/zinc/99/17/27/1010991727.db2.gz OAFKIVKTYUUYPE-OAHLLOKOSA-N 1 0 363.458 2.942 20 5 FFBDRO Cc1ccc(CNC(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000869053694 1011589737 /nfs/dbraw/zinc/58/97/37/1011589737.db2.gz RBNDTOPZOAQRGR-QGZVFWFLSA-N 1 0 360.458 2.777 20 5 FFBDRO O=C(C1CC1)N1CCC([NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172897625 1012071682 /nfs/dbraw/zinc/07/16/82/1012071682.db2.gz BIUDJXJLBAUJBP-KRWDZBQOSA-N 1 0 357.454 2.833 20 5 FFBDRO O=C(CC[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1)NCc1ccco1 ZINC001172898129 1012072362 /nfs/dbraw/zinc/07/23/62/1012072362.db2.gz GSHIBWFPUFDPTO-INIZCTEOSA-N 1 0 357.410 2.731 20 5 FFBDRO O=[N+]([O-])c1cc(F)cc(-c2nc(-c3ccc4c(n3)CC[NH2+]C4)no2)c1F ZINC001217049362 1032597863 /nfs/dbraw/zinc/59/78/63/1032597863.db2.gz GXPHCKRLPBKGFW-UHFFFAOYSA-N 1 0 359.292 2.631 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@@H]1CCN(c3cnccn3)C1)CC2 ZINC001172904054 1012077702 /nfs/dbraw/zinc/07/77/02/1012077702.db2.gz KDJCNCFNXSDGAK-DLBZAZTESA-N 1 0 353.426 2.501 20 5 FFBDRO N=c1nc([C@@H]2CCC[NH2+]2)ccn1[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172916853 1012098542 /nfs/dbraw/zinc/09/85/42/1012098542.db2.gz UGGJYZMMXFBDTL-WBVHZDCISA-N 1 0 353.426 2.815 20 5 FFBDRO CN(C)C(=O)NC1CC[NH+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172913481 1012125137 /nfs/dbraw/zinc/12/51/37/1012125137.db2.gz QYKPTMOQBZGJEM-QGZVFWFLSA-N 1 0 360.458 2.578 20 5 FFBDRO O=C1NCc2ccccc2[C@@H]1[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172912747 1012126185 /nfs/dbraw/zinc/12/61/85/1012126185.db2.gz OZFMVFZKWMMNLV-APWZRJJASA-N 1 0 351.406 2.803 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(N2CCC([N@@H+]3CCC[C@@H](CO)C3)CC2)c(F)c1 ZINC001173011412 1012181132 /nfs/dbraw/zinc/18/11/32/1012181132.db2.gz BPQDSJQZABUIIX-GFCCVEGCSA-N 1 0 355.385 2.546 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(N2CCC([N@@H+]3CC[C@H]4OCC[C@@H]4C3)CC2)c(F)c1 ZINC001173015436 1012187559 /nfs/dbraw/zinc/18/75/59/1012187559.db2.gz QCNRIJFFDAAGMO-SJKOYZFVSA-N 1 0 367.396 2.953 20 5 FFBDRO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173178502 1012322668 /nfs/dbraw/zinc/32/26/68/1012322668.db2.gz BTUYDKACUXWKJX-BZPMIXESSA-N 1 0 368.405 2.995 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+](C)[C@@H]2CCCN(C(C)=O)C2)c1F ZINC001173191465 1012332946 /nfs/dbraw/zinc/33/29/46/1012332946.db2.gz FKBXUVGSJHVORN-TZMCWYRMSA-N 1 0 367.421 2.616 20 5 FFBDRO CC[NH+]1C[C@@H]2CN([C@@H](C)Cc3c(F)c(OC)ccc3[N+](=O)[O-])C[C@H]2C1 ZINC001173193916 1012334849 /nfs/dbraw/zinc/33/48/49/1012334849.db2.gz SBGGLIQETRRLJM-BFHYXJOUSA-N 1 0 351.422 2.557 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2CCc3c(=O)[nH]ccc3C2)c1F ZINC001173192180 1012335014 /nfs/dbraw/zinc/33/50/14/1012335014.db2.gz JIVUQNGTQPARCC-LLVKDONJSA-N 1 0 361.373 2.832 20 5 FFBDRO CC[N@H+](CCn1ccnc1)[C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173192152 1012335539 /nfs/dbraw/zinc/33/55/39/1012335539.db2.gz IXTZMXLWYSKHCJ-CYBMUJFWSA-N 1 0 350.394 2.892 20 5 FFBDRO CCCN(CC(=O)OCC)[C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173194891 1012339049 /nfs/dbraw/zinc/33/90/49/1012339049.db2.gz ASKHCFFKQHBWQV-LBPRGKRZSA-N 1 0 356.394 2.949 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2C[C@H]3C[C@@]3(C[NH+](C)C)C2)c1F ZINC001173193963 1012339463 /nfs/dbraw/zinc/33/94/63/1012339463.db2.gz VTAJJBHDQBHCIM-SNUQEOBHSA-N 1 0 351.422 2.557 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH+]2CCC(N(C)C(C)=O)CC2)c1F ZINC001173196810 1012341722 /nfs/dbraw/zinc/34/17/22/1012341722.db2.gz PDMRPWBGONWMQE-GFCCVEGCSA-N 1 0 367.421 2.616 20 5 FFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](NC(=O)N2CCCC2)C1 ZINC001173238495 1012385250 /nfs/dbraw/zinc/38/52/50/1012385250.db2.gz TXPAJMXWWWPRSH-DOTOQJQBSA-N 1 0 360.458 2.796 20 5 FFBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C)C(C)(C)CC2)cc1OC ZINC000871150577 1012750381 /nfs/dbraw/zinc/75/03/81/1012750381.db2.gz PMFRCCFIYMFYLB-UHFFFAOYSA-N 1 0 365.430 2.558 20 5 FFBDRO COc1cc(C(=O)NC2CCC(C)([NH+](C)C)CC2)c([N+](=O)[O-])cc1OC ZINC000871357014 1012882779 /nfs/dbraw/zinc/88/27/79/1012882779.db2.gz SUFMZBATQKGWJB-UHFFFAOYSA-N 1 0 365.430 2.605 20 5 FFBDRO CCCCC[NH2+]C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001173689655 1012902805 /nfs/dbraw/zinc/90/28/05/1012902805.db2.gz HEVOZIIVBLTZQA-UHFFFAOYSA-N 1 0 355.460 2.528 20 5 FFBDRO CC[NH+](CC)CC1CCN(c2ccc(CC(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000827407063 1017937216 /nfs/dbraw/zinc/93/72/16/1017937216.db2.gz ZNVPEZOARMQHAT-UHFFFAOYSA-N 1 0 363.458 2.869 20 5 FFBDRO CC(C)[NH+]1CCN(CCCC(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000901329900 1018970216 /nfs/dbraw/zinc/97/02/16/1018970216.db2.gz NNQWYEMNSHQRIY-INIZCTEOSA-N 1 0 362.474 2.578 20 5 FFBDRO O=C(CC[NH2+][C@H]1CCc2ccccc2OC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000801575835 1019133875 /nfs/dbraw/zinc/13/38/75/1019133875.db2.gz LSWLZNLURVDPGE-INIZCTEOSA-N 1 0 355.394 2.907 20 5 FFBDRO C[NH+](C)CC[C@@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC000928841348 1019157149 /nfs/dbraw/zinc/15/71/49/1019157149.db2.gz UVGNJSKYUDBKPM-RUJXFNLJSA-N 1 0 354.410 2.812 20 5 FFBDRO C[NH+](C)CC[C@H](NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC000928841350 1019157441 /nfs/dbraw/zinc/15/74/41/1019157441.db2.gz UVGNJSKYUDBKPM-VOCYLRNQSA-N 1 0 354.410 2.812 20 5 FFBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000801854942 1019456079 /nfs/dbraw/zinc/45/60/79/1019456079.db2.gz WAZDKEVGUZPZGS-UHFFFAOYSA-N 1 0 364.421 2.654 20 5 FFBDRO C[NH+](C)[C@@H]1CCOc2c(NC(=O)c3cc([N+](=O)[O-])c(F)cc3N)cccc21 ZINC000801969955 1019561651 /nfs/dbraw/zinc/56/16/51/1019561651.db2.gz GCAYBRRWTLMJNH-OAHLLOKOSA-N 1 0 374.372 2.954 20 5 FFBDRO C[NH+](C)[C@H]1CCOc2c(NC(=O)c3cc([N+](=O)[O-])c(F)cc3N)cccc21 ZINC000801969953 1019561675 /nfs/dbraw/zinc/56/16/75/1019561675.db2.gz GCAYBRRWTLMJNH-HNNXBMFYSA-N 1 0 374.372 2.954 20 5 FFBDRO O=C1OCC[C@@H]1CC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000828807699 1032847675 /nfs/dbraw/zinc/84/76/75/1032847675.db2.gz PXOYYCUQBCHNDH-XIRDDKMYSA-N 1 0 362.426 2.654 20 5 FFBDRO CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[NH+](Cc2ccc(C(F)F)cc2)CC1 ZINC001045437312 1019965594 /nfs/dbraw/zinc/96/55/94/1019965594.db2.gz NCZLYWPKDVCVSB-HUUCEWRRSA-N 1 0 367.396 2.760 20 5 FFBDRO Cn1cc(C[C@@H]2CC[N@H+](Cn3cc(-c4cccc([N+](=O)[O-])c4)cn3)C2)cn1 ZINC000777964070 1020356002 /nfs/dbraw/zinc/35/60/02/1020356002.db2.gz OJGHGQYQGHTWAI-HNNXBMFYSA-N 1 0 366.425 2.714 20 5 FFBDRO CC(C)(C)n1ncnc1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000800500017 1020359434 /nfs/dbraw/zinc/35/94/34/1020359434.db2.gz MOEROWYJBDHJDS-UHFFFAOYSA-N 1 0 358.446 2.700 20 5 FFBDRO O=C([C@@H]1CC[C@@H]2CCCC[N@@H+]21)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000900880326 1020696961 /nfs/dbraw/zinc/69/69/61/1020696961.db2.gz HMIUTHGGCCPKSK-KXBFYZLASA-N 1 0 373.453 2.982 20 5 FFBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC(c2ccn(C)n2)CC1 ZINC000932144529 1020722474 /nfs/dbraw/zinc/72/24/74/1020722474.db2.gz USHQUBXBQDCFHF-CYBMUJFWSA-N 1 0 357.414 2.535 20 5 FFBDRO Cc1c(NC(=O)CC[NH+]2CCC(c3ccn(C)n3)CC2)cccc1[N+](=O)[O-] ZINC000932144162 1020722555 /nfs/dbraw/zinc/72/25/55/1020722555.db2.gz RWADZBKYDMZWNH-UHFFFAOYSA-N 1 0 371.441 2.845 20 5 FFBDRO O=[N+]([O-])c1cc(Br)c(F)cc1O[C@H]1C[NH2+]CCC[C@@H]1F ZINC001217977248 1032929485 /nfs/dbraw/zinc/92/94/85/1032929485.db2.gz MZSWHHGEBUEBHL-UFBFGSQYSA-N 1 0 351.147 2.965 20 5 FFBDRO O=[N+]([O-])c1cccc(I)c1O[C@@H]1CCCC[NH2+]C1 ZINC001217975767 1032926794 /nfs/dbraw/zinc/92/67/94/1032926794.db2.gz UPYRKBWDDRKETI-SECBINFHSA-N 1 0 362.167 2.720 20 5 FFBDRO O=[N+]([O-])c1ccc(I)c(O[C@@H]2CCCC[NH2+]C2)c1 ZINC001217972396 1032927591 /nfs/dbraw/zinc/92/75/91/1032927591.db2.gz DVVWBGJWHBFESR-SNVBAGLBSA-N 1 0 362.167 2.720 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CC1(O)CCC3(CC1)OCCO3)CCC2 ZINC000903373378 1020811412 /nfs/dbraw/zinc/81/14/12/1020811412.db2.gz VDZVFGOAJAPFTI-QGZVFWFLSA-N 1 0 362.426 2.610 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(O)(C2CCC2)CC1 ZINC000932815991 1020906759 /nfs/dbraw/zinc/90/67/59/1020906759.db2.gz AQPSTVQOSURUFW-UHFFFAOYSA-N 1 0 361.442 2.859 20 5 FFBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH2+][C@@H]1CCOC12CCCC2 ZINC000934386051 1021216763 /nfs/dbraw/zinc/21/67/63/1021216763.db2.gz QXQNZUHWNKAXIP-MRXNPFEDSA-N 1 0 361.398 2.584 20 5 FFBDRO O=C(C[NH2+][C@@H](c1ccncc1)C1CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000934690400 1021349539 /nfs/dbraw/zinc/34/95/39/1021349539.db2.gz BRLMKSSGNXNQAI-LJQANCHMSA-N 1 0 352.394 2.620 20 5 FFBDRO CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000750116627 1021380153 /nfs/dbraw/zinc/38/01/53/1021380153.db2.gz SLYPZRRFECAFDV-UXHICEINSA-N 1 0 355.438 2.835 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCCC[C@@H]([C@@H]2CCOC2)C1 ZINC000934838192 1021422277 /nfs/dbraw/zinc/42/22/77/1021422277.db2.gz IZMORKOSZXDOPO-HZPDHXFCSA-N 1 0 361.442 2.980 20 5 FFBDRO Cc1c(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000016599408 1022281177 /nfs/dbraw/zinc/28/11/77/1022281177.db2.gz FHNISVKGJXRVOH-KRWDZBQOSA-N 1 0 372.381 2.844 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)cc1[N+](=O)[O-] ZINC001118627622 1022324244 /nfs/dbraw/zinc/32/42/44/1022324244.db2.gz BIRUUJKHMMYEGU-FRRDWIJNSA-N 1 0 370.352 2.670 20 5 FFBDRO C[NH+](C)CCN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccccc1 ZINC000116140707 1022381389 /nfs/dbraw/zinc/38/13/89/1022381389.db2.gz AAZDIXNMKLWQHE-UHFFFAOYSA-N 1 0 358.354 2.711 20 5 FFBDRO C[NH+](C)CCN(CCc1ccccc1)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000751088473 1022755382 /nfs/dbraw/zinc/75/53/82/1022755382.db2.gz IGVQDOHFGLKOSP-UHFFFAOYSA-N 1 0 359.401 2.980 20 5 FFBDRO O=[N+]([O-])c1ccc2nc(OC[C@@H]3C[NH2+]CCCO3)cc(C(F)(F)F)c2c1 ZINC001218301894 1033093145 /nfs/dbraw/zinc/09/31/45/1033093145.db2.gz ILIGHMJOGGHFCB-NSHDSACASA-N 1 0 371.315 2.919 20 5 FFBDRO O=C(NCCCCCN1CC[NH2+]CC1)c1cc([N+](=O)[O-])cc2ccccc21 ZINC001122195727 1023106087 /nfs/dbraw/zinc/10/60/87/1023106087.db2.gz YDYKRARQEVCVDO-UHFFFAOYSA-N 1 0 370.453 2.553 20 5 FFBDRO O=[N+]([O-])c1c2c(cc(Br)c1O[C@@H]1C[C@@H]3C[NH2+]C[C@@H]13)CCC2 ZINC001218329644 1033108273 /nfs/dbraw/zinc/10/82/73/1033108273.db2.gz DIOWVJBDKHWNHG-IRUJWGPZSA-N 1 0 353.216 2.833 20 5 FFBDRO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)NC1(C2CC[NH2+]CC2)CC1 ZINC001122294553 1023174062 /nfs/dbraw/zinc/17/40/62/1023174062.db2.gz VZEMAEMVUTVOSN-UHFFFAOYSA-N 1 0 351.834 2.829 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CCCc2ccsc2)cc1 ZINC001120577338 1023369039 /nfs/dbraw/zinc/36/90/39/1023369039.db2.gz XFSTZSIDMJVPEO-UHFFFAOYSA-N 1 0 354.453 2.652 20 5 FFBDRO COc1cc(C(=O)c2ccc(C)cc2)cc([N+](=O)[O-])c1O[C@H]1C[NH2+][C@@H]1C ZINC001218382993 1033131022 /nfs/dbraw/zinc/13/10/22/1033131022.db2.gz FJUOQAYRILOBQG-PXAZEXFGSA-N 1 0 356.378 2.882 20 5 FFBDRO CCC1([NH+]2CCC2)CCN(c2nnc([C@@H](C)[N+](=O)[O-])n2CC(C)C)CC1 ZINC001122823403 1023496914 /nfs/dbraw/zinc/49/69/14/1023496914.db2.gz ZODQDQMZSMRDBE-OAHLLOKOSA-N 1 0 364.494 2.727 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ncn(C[N@@H+]3CC[C@H](C4CCOCC4)C3)n2)cc1 ZINC000754782621 1023517124 /nfs/dbraw/zinc/51/71/24/1023517124.db2.gz JINQFYRGHJSEMD-INIZCTEOSA-N 1 0 357.414 2.559 20 5 FFBDRO C[C@@H]1C[NH2+]CC[C@H]1Oc1ccc([N+](=O)[O-])c(I)c1 ZINC001218415715 1033146005 /nfs/dbraw/zinc/14/60/05/1033146005.db2.gz PQASHADGNPFTBH-PRHODGIISA-N 1 0 362.167 2.576 20 5 FFBDRO C[C@@H]1C[NH2+]CC[C@@H]1Oc1ccc([N+](=O)[O-])c(I)c1 ZINC001218415714 1033147113 /nfs/dbraw/zinc/14/71/13/1033147113.db2.gz PQASHADGNPFTBH-PELKAZGASA-N 1 0 362.167 2.576 20 5 FFBDRO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000755512546 1023606392 /nfs/dbraw/zinc/60/63/92/1023606392.db2.gz MQUFMUPDRBOMSI-VDUFWMCCSA-N 1 0 373.453 2.711 20 5 FFBDRO O=[N+]([O-])c1cc(O[C@H]2C[NH2+]CCC2(F)F)c(F)cc1Br ZINC001218448111 1033161091 /nfs/dbraw/zinc/16/10/91/1033161091.db2.gz MDOAXPRBADZMFK-JTQLQIEISA-N 1 0 355.110 2.872 20 5 FFBDRO CCC[C@H]1CCC[N@H+](CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000757612862 1023836542 /nfs/dbraw/zinc/83/65/42/1023836542.db2.gz WHNPRYGZLMHZNF-AWEZNQCLSA-N 1 0 360.414 2.833 20 5 FFBDRO C[C@@H]1CN(c2ccccc2F)CCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000191620849 1023881885 /nfs/dbraw/zinc/88/18/85/1023881885.db2.gz ITIZMWRAIZWTMY-CYBMUJFWSA-N 1 0 372.400 2.544 20 5 FFBDRO CC[NH+](CC)CC[C@@H](C)NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC001124048761 1024257457 /nfs/dbraw/zinc/25/74/57/1024257457.db2.gz UQMDMCGTNFDKRN-LLVKDONJSA-N 1 0 352.391 2.662 20 5 FFBDRO COc1cccc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000192829784 1024285436 /nfs/dbraw/zinc/28/54/36/1024285436.db2.gz JFQHYUSZLNYSCH-RDJZCZTQSA-N 1 0 355.394 2.779 20 5 FFBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000195139458 1024947757 /nfs/dbraw/zinc/94/77/57/1024947757.db2.gz ZVYFVKOPEBSWOI-UHFFFAOYSA-N 1 0 354.410 2.703 20 5 FFBDRO C[N+](C)(C)C[C@H](O)CC(=O)O[C@H](c1ccc(Cl)cc1)c1ccccn1 ZINC001223110782 1033293457 /nfs/dbraw/zinc/29/34/57/1033293457.db2.gz WKHWBMDFYOSCFA-VQIMIIECSA-N 1 0 363.865 2.825 20 5 FFBDRO CC[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C[C@H]1COc2ccccc2O1 ZINC000246212235 1025878651 /nfs/dbraw/zinc/87/86/51/1025878651.db2.gz CKAJYHHWWBMEFZ-DLBZAZTESA-N 1 0 358.394 2.790 20 5 FFBDRO [NH3+][C@H]1CCCCCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000638831666 1026036611 /nfs/dbraw/zinc/03/66/11/1026036611.db2.gz HSBLWIYVFSSFIH-INIZCTEOSA-N 1 0 363.461 2.885 20 5 FFBDRO C[C@@H]1CN(c2ccccc2CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000839097597 1026587806 /nfs/dbraw/zinc/58/78/06/1026587806.db2.gz QLNUVLWYTRSGRF-MRXNPFEDSA-N 1 0 370.453 2.785 20 5 FFBDRO C[C@@H]1CN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1Cc1ccccc1 ZINC000839646350 1026772676 /nfs/dbraw/zinc/77/26/76/1026772676.db2.gz IGNVDPJUTZBBEK-UZLBHIALSA-N 1 0 355.438 2.835 20 5 FFBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC001141698900 1026832180 /nfs/dbraw/zinc/83/21/80/1026832180.db2.gz XPEQZOJWDRVOER-VIFPVBQESA-N 1 0 360.817 2.820 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ncn(C[N@H+]3CCCC[C@@H]3[C@@H]3CCC[C@H]3O)n2)cc1 ZINC000840117681 1026964777 /nfs/dbraw/zinc/96/47/77/1026964777.db2.gz WCVCOESDWYUQCK-RCCFBDPRSA-N 1 0 371.441 2.826 20 5 FFBDRO CO[C@@H]1C[C@@H]([N@H+](C)Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C12CCC2 ZINC000840141758 1026981632 /nfs/dbraw/zinc/98/16/32/1026981632.db2.gz RXESDQZACNVNBU-HZPDHXFCSA-N 1 0 357.414 2.700 20 5 FFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1c1ncc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001158522868 1027052273 /nfs/dbraw/zinc/05/22/73/1027052273.db2.gz AXTLKXFJIPZBKG-ZIAGYGMSSA-N 1 0 371.397 2.997 20 5 FFBDRO Cc1cc(Cl)c([N+](=O)[O-])c(NCc2ccccc2N2CC[NH2+]CC2)n1 ZINC001160109426 1027595289 /nfs/dbraw/zinc/59/52/89/1027595289.db2.gz IDWQPMADSZUQDC-UHFFFAOYSA-N 1 0 361.833 2.973 20 5 FFBDRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC001153484382 1027903268 /nfs/dbraw/zinc/90/32/68/1027903268.db2.gz ZITZDZQPBGBCOL-GHMZBOCLSA-N 1 0 370.247 2.846 20 5 FFBDRO O=[N+]([O-])c1ccc2nc(NC3CC[NH+](CC4CCOCC4)CC3)cnc2c1 ZINC001161212521 1028070795 /nfs/dbraw/zinc/07/07/95/1028070795.db2.gz RPPYGBMPHHYRFT-UHFFFAOYSA-N 1 0 371.441 2.841 20 5 FFBDRO O=[N+]([O-])c1cccc2ncnc(NC3CC[NH+](CC4CCOCC4)CC3)c21 ZINC001161216716 1028074852 /nfs/dbraw/zinc/07/48/52/1028074852.db2.gz VJFPYEDOFBMOBF-UHFFFAOYSA-N 1 0 371.441 2.841 20 5 FFBDRO O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC001161753130 1028303765 /nfs/dbraw/zinc/30/37/65/1028303765.db2.gz FXUIYMJAGPLENB-UHFFFAOYSA-N 1 0 356.382 2.934 20 5 FFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2 ZINC000957547385 1028324020 /nfs/dbraw/zinc/32/40/20/1028324020.db2.gz DYXCWIFZDHKKCD-QZTJIDSGSA-N 1 0 357.454 2.556 20 5 FFBDRO CC(=O)Nc1cc(N[C@@H]2CCC[C@@H]([NH3+])C2)c([N+](=O)[O-])cc1Br ZINC001162403166 1028531459 /nfs/dbraw/zinc/53/14/59/1028531459.db2.gz CGNPQYMWDUDNIY-NXEZZACHSA-N 1 0 371.235 2.998 20 5 FFBDRO O=[N+]([O-])c1cc(-c2ccc(N[C@@H]3C=C[C@@H]4C[NH2+]C[C@@H]34)nn2)ccc1Cl ZINC001162801360 1028661080 /nfs/dbraw/zinc/66/10/80/1028661080.db2.gz IOWDEMUTJBNTQP-LALPHHSUSA-N 1 0 357.801 2.891 20 5 FFBDRO O=[N+]([O-])c1cccc2ncnc(NCC[C@@H]3C[NH2+]Cc4cccn4C3)c21 ZINC001155462211 1028747006 /nfs/dbraw/zinc/74/70/06/1028747006.db2.gz KIPQKWZDWZFMHV-CYBMUJFWSA-N 1 0 352.398 2.561 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ccc(NCc3nnc4n3CCC[NH2+]C4)cc2)cc1 ZINC001163022422 1028760758 /nfs/dbraw/zinc/76/07/58/1028760758.db2.gz XELYNXRUVYWFQO-UHFFFAOYSA-N 1 0 364.409 2.959 20 5 FFBDRO Cc1cc(NCC[C@@H]2CCOC23C[NH2+]C3)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001163087635 1028790267 /nfs/dbraw/zinc/79/02/67/1028790267.db2.gz QHWRWHUUWGKUJN-OAHLLOKOSA-N 1 0 369.425 2.541 20 5 FFBDRO O=[N+]([O-])c1cc(N[C@@H]2CCO[C@]3(CC[NH2+]C3)C2)c2ncnc(Cl)c2c1 ZINC001155635317 1028829516 /nfs/dbraw/zinc/82/95/16/1028829516.db2.gz IOXHFUJLPCJLLQ-QLJPJBMISA-N 1 0 363.805 2.514 20 5 FFBDRO [NH3+]CCCC[C@H](Nc1ccc2ccc([N+](=O)[O-])cc2n1)C(=O)N1CCCC1 ZINC001163457455 1028932553 /nfs/dbraw/zinc/93/25/53/1028932553.db2.gz XCIGYQGHQOKSBQ-INIZCTEOSA-N 1 0 371.441 2.675 20 5 FFBDRO O=[N+]([O-])c1ccc(N(c2ncccn2)C2C[NH2+]C2)nc1-c1ccc(F)cc1 ZINC001155879566 1028956543 /nfs/dbraw/zinc/95/65/43/1028956543.db2.gz JUTYKCIJPAIUTQ-UHFFFAOYSA-N 1 0 366.356 2.696 20 5 FFBDRO COc1cc2ncnc(N3CC[NH2+]C[C@H]3c3cccs3)c2cc1[N+](=O)[O-] ZINC001156097251 1029046087 /nfs/dbraw/zinc/04/60/87/1029046087.db2.gz GCMXREOEZPFNOH-AWEZNQCLSA-N 1 0 371.422 2.759 20 5 FFBDRO O=[N+]([O-])c1ccc2ncc(N3CCC[N@H+](Cc4ccncc4)CC3)nc2c1 ZINC001163826700 1029077457 /nfs/dbraw/zinc/07/74/57/1029077457.db2.gz IEIIVRQGTJSHRR-UHFFFAOYSA-N 1 0 364.409 2.645 20 5 FFBDRO C[NH+](C)C[C@@]12C[C@@H]1CN(c1ccc(-c3ccc(F)c([N+](=O)[O-])c3)nn1)C2 ZINC001156400770 1029181183 /nfs/dbraw/zinc/18/11/83/1029181183.db2.gz BXUHKWIVXRGPLM-FZKQIMNGSA-N 1 0 357.389 2.579 20 5 FFBDRO CCOC(=O)c1ccnc(NCC2C[NH+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC001156403492 1029184010 /nfs/dbraw/zinc/18/40/10/1029184010.db2.gz YIXDOLWDFOIJGL-UHFFFAOYSA-N 1 0 370.409 2.710 20 5 FFBDRO O=C(NCCC1(C[NH2+]Cc2cccc3ccccc32)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001164490228 1029296364 /nfs/dbraw/zinc/29/63/64/1029296364.db2.gz DSESRDFKUUVSRT-RTBURBONSA-N 1 0 367.449 2.881 20 5 FFBDRO O=C(NCCC1(C[NH2+]Cc2ccc(F)c(Cl)c2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001164491048 1029297550 /nfs/dbraw/zinc/29/75/50/1029297550.db2.gz YOKKXYVKDVGMBO-IUODEOHRSA-N 1 0 369.824 2.520 20 5 FFBDRO COc1cc(N2C[C@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001165086709 1029375678 /nfs/dbraw/zinc/37/56/78/1029375678.db2.gz OBMGJZQUKRTGPO-NVXWUHKLSA-N 1 0 354.410 2.709 20 5 FFBDRO C[NH+](C)C[C@]12C[C@H]1CN(c1ccc(-c3ccc(F)c([N+](=O)[O-])c3)nn1)C2 ZINC001165181775 1029436571 /nfs/dbraw/zinc/43/65/71/1029436571.db2.gz BXUHKWIVXRGPLM-UGSOOPFHSA-N 1 0 357.389 2.579 20 5 FFBDRO N=C(Nc1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)nn1)SCC[NH3+] ZINC001157131170 1029477483 /nfs/dbraw/zinc/47/74/83/1029477483.db2.gz WUYUDCDGPBHQHB-UHFFFAOYSA-N 1 0 352.807 2.744 20 5 FFBDRO O=[N+]([O-])c1ccc2ccnc(N(c3cnccn3)C3CC[NH2+]CC3)c2c1 ZINC001157543484 1029612247 /nfs/dbraw/zinc/61/22/47/1029612247.db2.gz OOEYJFZXVAKEOX-UHFFFAOYSA-N 1 0 350.382 2.823 20 5 FFBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N2CC[NH2+][C@H](c3ccccc3)C2)n1 ZINC001157758688 1029655995 /nfs/dbraw/zinc/65/59/95/1029655995.db2.gz CGOGIQUIGJZASP-NSHDSACASA-N 1 0 365.846 2.911 20 5 FFBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001165324274 1029945900 /nfs/dbraw/zinc/94/59/00/1029945900.db2.gz PUWTUUJMACIPNM-MRXNPFEDSA-N 1 0 362.430 2.525 20 5 FFBDRO COc1nc(N([C@H]2COC3(C2)CC[NH2+]CC3)C(C)(C)C)ccc1[N+](=O)[O-] ZINC001165670548 1030075506 /nfs/dbraw/zinc/07/55/06/1030075506.db2.gz RULLOBPEOGBUEC-CYBMUJFWSA-N 1 0 364.446 2.514 20 5 FFBDRO C[NH2+]Cc1ccc(NC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000841330992 1030204178 /nfs/dbraw/zinc/20/41/78/1030204178.db2.gz DWEKHYHOTWDNKB-UHFFFAOYSA-N 1 0 369.425 2.668 20 5 FFBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NCC2([NH+](C)C)CC2)CC1 ZINC000841453161 1030297472 /nfs/dbraw/zinc/29/74/72/1030297472.db2.gz LKSGNCQCEHGRHR-UHFFFAOYSA-N 1 0 360.458 2.655 20 5 FFBDRO Cc1nc(N(c2ccccn2)[C@@H]2C[NH2+]C[C@@H]3CCCO[C@H]23)ccc1[N+](=O)[O-] ZINC001166296969 1030349763 /nfs/dbraw/zinc/34/97/63/1030349763.db2.gz DNWPWYYGYPWLOO-GMBSWORKSA-N 1 0 369.425 2.598 20 5 FFBDRO CCC[NH2+][C@H]1CCc2c(sc(=N)n2-c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC001166870805 1030556617 /nfs/dbraw/zinc/55/66/17/1030556617.db2.gz MEULTJHIQFSAMP-VIFPVBQESA-N 1 0 367.862 2.832 20 5 FFBDRO Nc1cc(N(CC[NH3+])Cc2ccc(Cl)cc2Cl)ncc1[N+](=O)[O-] ZINC001166910790 1030572219 /nfs/dbraw/zinc/57/22/19/1030572219.db2.gz MZSVUODAOMLHGF-UHFFFAOYSA-N 1 0 356.213 2.844 20 5 FFBDRO Cc1nn(C[N@@H+](C)C[C@]2(O)CCc3ccccc32)c2cc([N+](=O)[O-])ccc12 ZINC000842626741 1030850430 /nfs/dbraw/zinc/85/04/30/1030850430.db2.gz XPGYWLWZCZXPDY-HXUWFJFHSA-N 1 0 366.421 2.976 20 5 FFBDRO Cc1ccc(-c2nn(C)cc2CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)o1 ZINC000843408520 1031384526 /nfs/dbraw/zinc/38/45/26/1031384526.db2.gz GQISWHHGTSSYCI-UHFFFAOYSA-N 1 0 355.398 2.862 20 5 FFBDRO C[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(N2CCNC2=O)cc1 ZINC000829743379 1033318289 /nfs/dbraw/zinc/31/82/89/1033318289.db2.gz AIARKVOBBLKKMS-FZKQIMNGSA-N 1 0 370.409 2.509 20 5 FFBDRO COCCC[NH+]1CCC(OCc2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC001223908066 1033639540 /nfs/dbraw/zinc/63/95/40/1033639540.db2.gz ZUILRAXLLHLXFJ-UHFFFAOYSA-N 1 0 368.430 2.630 20 5 FFBDRO O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000831698866 1034219602 /nfs/dbraw/zinc/21/96/02/1034219602.db2.gz BTGIAKXNIANHSB-QZTJIDSGSA-N 1 0 361.442 2.542 20 5 FFBDRO COCCC[NH+]1CCC(Oc2ncc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC001225847869 1034425445 /nfs/dbraw/zinc/42/54/45/1034425445.db2.gz ZIOVNBDVXBUAAC-UHFFFAOYSA-N 1 0 363.336 2.888 20 5 FFBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc2ccccc2c1Br ZINC001226086026 1034521596 /nfs/dbraw/zinc/52/15/96/1034521596.db2.gz OHQNFCDEGBXRFT-CYBMUJFWSA-N 1 0 367.263 2.965 20 5 FFBDRO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1Oc1ccc([N+](=O)[O-])cc1C(N)=O ZINC001226165520 1034554524 /nfs/dbraw/zinc/55/45/24/1034554524.db2.gz LLWMESBQOZWIPA-LIRRHRJNSA-N 1 0 369.421 2.983 20 5 FFBDRO CC(=O)O[C@@H]1C[C@@H]2C[C@H](Oc3cc([N+](=O)[O-])c(F)cc3Cl)C[C@H]1[N@@H+]2C ZINC001226198565 1034568812 /nfs/dbraw/zinc/56/88/12/1034568812.db2.gz NOPMRGGQWBZFGU-ITIFCUTMSA-N 1 0 372.780 2.933 20 5 FFBDRO O=[N+]([O-])c1ccc2ncnc(OC3CCN(c4cc[nH+]cc4)CC3)c2c1 ZINC001226436765 1034684764 /nfs/dbraw/zinc/68/47/64/1034684764.db2.gz OZVMFXRQZMTOEF-UHFFFAOYSA-N 1 0 351.366 2.981 20 5 FFBDRO COc1cc(O[C@H]2CCC[N@@H+]([C@@H](C)c3ccccn3)C2)ncc1[N+](=O)[O-] ZINC001226579771 1034744696 /nfs/dbraw/zinc/74/46/96/1034744696.db2.gz USSPUCPGHXOVEC-KBPBESRZSA-N 1 0 358.398 2.998 20 5 FFBDRO CO[C@@H]1CC[N@H+](CCOc2cc(F)c(Br)cc2[N+](=O)[O-])C1 ZINC001227284923 1035495792 /nfs/dbraw/zinc/49/57/92/1035495792.db2.gz RPIVPAJUSDGZCL-SECBINFHSA-N 1 0 363.183 2.596 20 5 FFBDRO COC(=O)c1ccc(O[C@@H]2CC[N@@H+]([C@@H](C)c3ccccn3)C2)c([N+](=O)[O-])c1 ZINC001227297301 1035498868 /nfs/dbraw/zinc/49/88/68/1035498868.db2.gz CFGBSBCIKGQLBQ-DZGCQCFKSA-N 1 0 371.393 2.991 20 5 FFBDRO CC[N@@H+]1CC[C@@H](Oc2cc(OC)cc3oc4c(O)ccc(O)c4c(=O)c23)C1 ZINC001227647227 1035655182 /nfs/dbraw/zinc/65/51/82/1035655182.db2.gz XDPVWVLPQLBFKO-LLVKDONJSA-N 1 0 371.389 2.839 20 5 FFBDRO C[NH+]1CCC2(CC[C@H](COc3c4ccccc4oc(=O)c3[N+](=O)[O-])O2)CC1 ZINC001228802459 1036333252 /nfs/dbraw/zinc/33/32/52/1036333252.db2.gz LFBNUGFACAYQSR-CYBMUJFWSA-N 1 0 374.393 2.723 20 5 FFBDRO COc1ccc(I)c(O[C@H](C)C[N+](C)(C)C)c1 ZINC001229089306 1036494071 /nfs/dbraw/zinc/49/40/71/1036494071.db2.gz QTPPNNCMOSUWFV-SNVBAGLBSA-N 1 0 350.220 2.773 20 5 FFBDRO O=[N+]([O-])c1c[n+]([O-])ccc1O[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001229455652 1036686338 /nfs/dbraw/zinc/68/63/38/1036686338.db2.gz KXPCFAAUCYWHRA-XYJFISCASA-N 1 0 355.394 2.518 20 5 FFBDRO O=[N+]([O-])c1cc(I)ccc1O[C@H]1C[NH+]2CCC1CC2 ZINC001229941538 1036991853 /nfs/dbraw/zinc/99/18/53/1036991853.db2.gz RXEDANNACFNJOY-ZDUSSCGKSA-N 1 0 374.178 2.672 20 5 FFBDRO C[C@@H]1C[N@H+](C)[C@H](C)[C@@H](C)N1C(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001277849081 1036996249 /nfs/dbraw/zinc/99/62/49/1036996249.db2.gz INLZDARVKDPYQY-JHJVBQTASA-N 1 0 356.426 2.883 20 5 FFBDRO C[N@@H+]1CCc2c(cccc2O[C@@H](C[N+](=O)[O-])c2ccc3c(c2)OCO3)C1 ZINC001234425766 1037033627 /nfs/dbraw/zinc/03/36/27/1037033627.db2.gz YIYLDLLXMQPNAP-IBGZPJMESA-N 1 0 356.378 2.800 20 5 FFBDRO COc1c(OC2CC[NH+](C)CC2)c2nccc3c4ccccc4n(c32)c1=O ZINC001234718410 1037154768 /nfs/dbraw/zinc/15/47/68/1037154768.db2.gz KQIHWMHNHNULJG-UHFFFAOYSA-N 1 0 363.417 2.920 20 5 FFBDRO Cc1ccc(O)c(Cc2cc(C)ccc2OC(=O)C[C@@H](O)C[N+](C)(C)C)c1 ZINC001231283270 1037523620 /nfs/dbraw/zinc/52/36/20/1037523620.db2.gz FKCLSSGYUVMAGU-LJQANCHMSA-O 1 0 372.485 2.962 20 5 FFBDRO COc1cc(N2CCC([NH2+]CCCOC(C)C)CC2)ccc1[N+](=O)[O-] ZINC001256087697 1038371887 /nfs/dbraw/zinc/37/18/87/1038371887.db2.gz LRFXDSDQWBMQAW-UHFFFAOYSA-N 1 0 351.447 2.977 20 5 FFBDRO COc1cc(N2CCC([N@H+]3CC[C@@H](O)[C@@H](C)CC3)CC2)ccc1[N+](=O)[O-] ZINC001256092913 1038376797 /nfs/dbraw/zinc/37/67/97/1038376797.db2.gz BAVBIQLQVUHDCF-KBXCAEBGSA-N 1 0 363.458 2.665 20 5 FFBDRO COc1cc(N2CCC([NH2+][C@H]3C[C@]34CCCOC4)CC2)ccc1[N+](=O)[O-] ZINC001256092635 1038378082 /nfs/dbraw/zinc/37/80/82/1038378082.db2.gz TVNHNSUIOVGWBS-OALUTQOASA-N 1 0 361.442 2.731 20 5 FFBDRO C[NH2+]Cc1c(C)nn(C2CCN(c3ccc([N+](=O)[O-])c(OC)c3)CC2)c1C ZINC001256100240 1038384035 /nfs/dbraw/zinc/38/40/35/1038384035.db2.gz BHZHMDDPEHTYIY-UHFFFAOYSA-N 1 0 373.457 2.978 20 5 FFBDRO COc1cc(N2CCC([N@@H+]3CCC[C@@H]4CN(C)C[C@@H]43)CC2)ccc1[N+](=O)[O-] ZINC001256100861 1038384323 /nfs/dbraw/zinc/38/43/23/1038384323.db2.gz RHHGCIFOZYNJAW-BEFAXECRSA-N 1 0 374.485 2.598 20 5 FFBDRO COc1cc(N2CCC([N@H+]3C[C@@H](C)N(C)[C@@H](C)C3)CC2)ccc1[N+](=O)[O-] ZINC001256100488 1038384379 /nfs/dbraw/zinc/38/43/79/1038384379.db2.gz JHWRMDUBWQIWSG-GASCZTMLSA-N 1 0 362.474 2.597 20 5 FFBDRO COc1ccc(-c2nc3cc(N4CC[NH+](C)CC4)ccc3[nH]2)cc1[N+](=O)[O-] ZINC001250915365 1038809384 /nfs/dbraw/zinc/80/93/84/1038809384.db2.gz XBEYSDZDMOPALI-UHFFFAOYSA-N 1 0 367.409 2.899 20 5 FFBDRO NC[C@@]1(F)CCCC[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001246580954 1039403523 /nfs/dbraw/zinc/40/35/23/1039403523.db2.gz ONNHHEDISNWTOC-SFHVURJKSA-N 1 0 350.438 2.717 20 5 FFBDRO CCN(C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1)[C@@H]1CCC[NH2+]C1 ZINC001246854256 1039504296 /nfs/dbraw/zinc/50/42/96/1039504296.db2.gz NYRLCXQBVHUEKY-CQSZACIVSA-N 1 0 368.428 2.916 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N(C2CC2)[C@@H]2CCC[NH2+]C2)c1F ZINC001246904206 1039527145 /nfs/dbraw/zinc/52/71/45/1039527145.db2.gz FOUOLEHKTUGENC-TZMCWYRMSA-N 1 0 351.422 2.890 20 5 FFBDRO c1cnc2c(c1)ccc1ccc(-c3noc([C@@H]4COCCC45C[NH2+]C5)n3)nc12 ZINC001247878230 1040016782 /nfs/dbraw/zinc/01/67/82/1040016782.db2.gz SIAAEGWHLODWKU-HNNXBMFYSA-N 1 0 373.416 2.927 20 5 FFBDRO c1cnc2c(c1)ccc1ccc(-c3noc(C[C@]45C[NH2+]C[C@H]4COC5)n3)nc12 ZINC001247900993 1040032231 /nfs/dbraw/zinc/03/22/31/1040032231.db2.gz XBEKKUUFEXLEJV-YCRPNKLZSA-N 1 0 373.416 2.612 20 5 FFBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@H]2C[NH2+][C@@H](c3ccccc3)C2)n1 ZINC001248286377 1040208843 /nfs/dbraw/zinc/20/88/43/1040208843.db2.gz ZRJUAALLDXWEFQ-DGCLKSJQSA-N 1 0 355.329 2.997 20 5 FFBDRO COc1cc(CC[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)ccn1 ZINC001254469209 1040735037 /nfs/dbraw/zinc/73/50/37/1040735037.db2.gz ZAKKQNMKOWPRRV-UHFFFAOYSA-N 1 0 356.426 2.800 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CC[C@](O)(C(F)(F)F)C3)CC2)cc1 ZINC001254475070 1040741433 /nfs/dbraw/zinc/74/14/33/1040741433.db2.gz ZOUBKVXTMCDPKG-OAHLLOKOSA-N 1 0 359.348 2.563 20 5 FFBDRO O=C1CCC2(CC[NH+](C3CCN(c4ccc([N+](=O)[O-])cc4)CC3)CC2)O1 ZINC001254479846 1040745170 /nfs/dbraw/zinc/74/51/70/1040745170.db2.gz NIVRHROPROFZPE-UHFFFAOYSA-N 1 0 359.426 2.735 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1CCN(c2ccncn2)CC1 ZINC001254543681 1040788663 /nfs/dbraw/zinc/78/86/63/1040788663.db2.gz FUFKQEZQHBTIIH-OAHLLOKOSA-N 1 0 355.442 2.822 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)OC(C)(C)C ZINC001254551515 1040795169 /nfs/dbraw/zinc/79/51/69/1040795169.db2.gz CMZMNSIBRJEHRP-UTXMOHQDSA-N 1 0 361.442 2.981 20 5 FFBDRO CC(C)NC(=O)c1noc2c1CN([C@H](C)Cc1ccccc1[N+](=O)[O-])CC2 ZINC001254562121 1040799218 /nfs/dbraw/zinc/79/92/18/1040799218.db2.gz JRNMPSYYLSUULN-CYBMUJFWSA-N 1 0 372.425 2.710 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]C1CCN(Cc3ccncc3)CC1)C2 ZINC001254584239 1040816005 /nfs/dbraw/zinc/81/60/05/1040816005.db2.gz GLGPTLBSBMIYSN-IBGZPJMESA-N 1 0 352.438 2.711 20 5 FFBDRO COC(=O)C[C@@H]([NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1cccc(OC)c1 ZINC001254587640 1040818194 /nfs/dbraw/zinc/81/81/94/1040818194.db2.gz RSZPMBZRCLDZAQ-VQIMIIECSA-N 1 0 370.405 2.965 20 5 FFBDRO COc1ccc(CC[N@H+](C[C@@H](C)O)[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC001254599665 1040829689 /nfs/dbraw/zinc/82/96/89/1040829689.db2.gz OGTNVLYBAYRZBI-FOIQADDNSA-N 1 0 370.449 2.996 20 5 FFBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N1CCCC2(CC[NH2+]CC2)C1 ZINC001261376707 1041198495 /nfs/dbraw/zinc/19/84/95/1041198495.db2.gz WSBQGPNKRXCGIY-UHFFFAOYSA-N 1 0 366.849 2.923 20 5 FFBDRO O=C1COc2ccccc2N1CC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC001261553888 1041307751 /nfs/dbraw/zinc/30/77/51/1041307751.db2.gz MZZASPSMYZWBLY-OAHLLOKOSA-N 1 0 353.378 2.597 20 5 FFBDRO C[N@@H+]1C[C@H](C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)[C@@H](c2ccccc2)C1 ZINC001261810330 1041428810 /nfs/dbraw/zinc/42/88/10/1041428810.db2.gz YICCASSGAZOPJE-MOPGFXCFSA-N 1 0 351.406 2.782 20 5 FFBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCC2(CC1)CC[NH+](C)CC2 ZINC001261883376 1041459481 /nfs/dbraw/zinc/45/94/81/1041459481.db2.gz IJJPSVDICQDKRO-UHFFFAOYSA-N 1 0 360.458 2.609 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NC1CCN(c2cc[nH+]cc2)CC1 ZINC001214521416 1041465234 /nfs/dbraw/zinc/46/52/34/1041465234.db2.gz OHNLHGCLKHGAOW-UHFFFAOYSA-N 1 0 371.397 2.789 20 5 FFBDRO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1 ZINC001262377069 1041666120 /nfs/dbraw/zinc/66/61/20/1041666120.db2.gz LEZHWWSDNLEOEP-GARJFASQSA-N 1 0 361.368 2.514 20 5 FFBDRO O=C(CSc1ccccc1[N+](=O)[O-])NC1CCN(c2cc[nH+]cc2)CC1 ZINC001262831537 1041884298 /nfs/dbraw/zinc/88/42/98/1041884298.db2.gz ODTBMNPUMHIRQY-UHFFFAOYSA-N 1 0 372.450 2.867 20 5 FFBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@@]12CC[NH2+]C2 ZINC001263257833 1042203027 /nfs/dbraw/zinc/20/30/27/1042203027.db2.gz DRHKJYHLIMZCAA-HNNXBMFYSA-N 1 0 355.847 2.695 20 5 FFBDRO CN(CC(C)(C)C[NH2+]CCc1ccc(Cl)cc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001282295174 1045483564 /nfs/dbraw/zinc/48/35/64/1045483564.db2.gz RCNPWIXVUHPPQQ-HZPDHXFCSA-N 1 0 367.877 2.622 20 5 FFBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC001324649505 1046146043 /nfs/dbraw/zinc/14/60/43/1046146043.db2.gz DHTROHVSGVVUHR-NSHDSACASA-N 1 0 371.235 2.963 20 5 FFBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)[C@H]3CC34CCCC4)c2)CC1 ZINC001289293085 1047619868 /nfs/dbraw/zinc/61/98/68/1047619868.db2.gz XKMDPIPKQBRQEH-OAHLLOKOSA-N 1 0 358.442 2.865 20 5 FFBDRO CCC1([NH2+]CC2CCC3(CC3)CC2)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001327448359 1047899267 /nfs/dbraw/zinc/89/92/67/1047899267.db2.gz ADDHRUZHERPTNW-IAGOWNOFSA-N 1 0 363.502 2.983 20 5 FFBDRO COc1ccc2ncc([N+](=O)[O-])c(N3CCC(OCC[NH+](C)C)CC3)c2c1 ZINC001331556247 1048002374 /nfs/dbraw/zinc/00/23/74/1048002374.db2.gz GMFQLXXTJXWAQQ-UHFFFAOYSA-N 1 0 374.441 2.699 20 5 FFBDRO CC(C)n1ncc2c1[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)CCC2 ZINC001327990803 1048124743 /nfs/dbraw/zinc/12/47/43/1048124743.db2.gz AQVPZVQOVSJZPW-FUHWJXTLSA-N 1 0 374.441 2.779 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC001333021350 1048675770 /nfs/dbraw/zinc/67/57/70/1048675770.db2.gz FDZLPAAQYJYONW-AWEZNQCLSA-N 1 0 354.414 2.856 20 5 FFBDRO C[N@H+](CCc1nccc(C(F)(F)F)n1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001333452556 1048911104 /nfs/dbraw/zinc/91/11/04/1048911104.db2.gz LEFLFABJOZXGBI-ZDUSSCGKSA-N 1 0 370.331 2.612 20 5 FFBDRO O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC001292305668 1049261723 /nfs/dbraw/zinc/26/17/23/1049261723.db2.gz XJTARRGXYWDRBE-AWEZNQCLSA-N 1 0 351.834 2.878 20 5 FFBDRO CCC[N@@H+]1CC[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 ZINC001331278950 1049547001 /nfs/dbraw/zinc/54/70/01/1049547001.db2.gz BBGVRPVLDXMJAR-SNVBAGLBSA-N 1 0 374.210 2.711 20 5 FFBDRO C[NH+](C)CCc1cccc(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001294550883 1049769210 /nfs/dbraw/zinc/76/92/10/1049769210.db2.gz XZPUJYVPXPLXJP-UHFFFAOYSA-N 1 0 353.422 2.897 20 5 FFBDRO Cn1c(C(=O)N2CCc3c2cccc3[N+](=O)[O-])ccc1[C@H]1CCCC[NH2+]1 ZINC001339939053 1050354562 /nfs/dbraw/zinc/35/45/62/1050354562.db2.gz LJBZHIZQIYALPS-CQSZACIVSA-N 1 0 354.410 2.951 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)c1ccc([C@H]2CCCC[NH2+]2)n1C ZINC001339996061 1050407657 /nfs/dbraw/zinc/40/76/57/1050407657.db2.gz MWUBHUXHLYMWQT-OAHLLOKOSA-N 1 0 372.425 2.687 20 5 FFBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CC[C@H](CC[NH3+])C3)cc2[N+](=O)[O-])C1 ZINC001341872689 1050478780 /nfs/dbraw/zinc/47/87/80/1050478780.db2.gz NZMPGDDEHVMETE-XHSDSOJGSA-N 1 0 374.485 2.888 20 5 FFBDRO Cn1ccnc1C[C@@H]1CCC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC001342038237 1050634902 /nfs/dbraw/zinc/63/49/02/1050634902.db2.gz VDHMPWVIGQCOMJ-AWEZNQCLSA-N 1 0 372.425 2.554 20 5 FFBDRO CCN(C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CC[NH2+]CC1 ZINC001342190190 1050783516 /nfs/dbraw/zinc/78/35/16/1050783516.db2.gz WHGQHEFWJQVANX-UHFFFAOYSA-N 1 0 360.439 2.932 20 5 FFBDRO Cc1ccc(CNC(=O)N2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)cc1[N+](=O)[O-] ZINC001340493063 1050891794 /nfs/dbraw/zinc/89/17/94/1050891794.db2.gz ZDJYOFPXOBBTEX-ULQDDVLXSA-N 1 0 360.458 2.775 20 5 FFBDRO Cc1c(C(=O)O[C@@H]2CCN(c3ccc([N+](=O)[O-])cc3)C2)ccc2c[nH+]cn21 ZINC001342676144 1051286871 /nfs/dbraw/zinc/28/68/71/1051286871.db2.gz SVRVPOHCJZIZDS-QGZVFWFLSA-N 1 0 366.377 2.987 20 5 FFBDRO COc1cc(C(=O)NC2CCN(c3cc[nH+]cc3)CC2)c([N+](=O)[O-])cc1F ZINC001341064037 1051404996 /nfs/dbraw/zinc/40/49/96/1051404996.db2.gz LHLMBZUKKIISAR-UHFFFAOYSA-N 1 0 374.372 2.536 20 5 FFBDRO [NH3+]C[C@]12CC[C@H]1CCCN2C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001342958326 1051574114 /nfs/dbraw/zinc/57/41/14/1051574114.db2.gz DQFNLOHYWSQXSG-OXQOHEQNSA-N 1 0 372.469 2.541 20 5 FFBDRO Cc1nnc(N(C)CCc2ccccc2[N+](=O)[O-])n1C[C@@H](C)[N@H+](C)C1CC1 ZINC001304796818 1051703687 /nfs/dbraw/zinc/70/36/87/1051703687.db2.gz IOPMYLQJFLOTGW-CQSZACIVSA-N 1 0 372.473 2.656 20 5 FFBDRO C[C@H](c1nnc(N(C)C[C@@H]2CCCC[N@@H+]2Cc2ccccc2)n1C)[N+](=O)[O-] ZINC001341360216 1051718785 /nfs/dbraw/zinc/71/87/85/1051718785.db2.gz OLBRMCXTUFOWKT-WBVHZDCISA-N 1 0 372.473 2.644 20 5 FFBDRO CCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001307019031 1052236620 /nfs/dbraw/zinc/23/66/20/1052236620.db2.gz BFPLFDWVBQHEBT-UHFFFAOYSA-N 1 0 370.457 2.938 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)C[C@@H]2C1 ZINC001343514679 1052276830 /nfs/dbraw/zinc/27/68/30/1052276830.db2.gz LTNUCONTZFDYIM-SOUVJXGZSA-N 1 0 356.426 2.878 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)C[C@@H]2C1 ZINC001345238085 1052336601 /nfs/dbraw/zinc/33/66/01/1052336601.db2.gz ZGQRJGYQJWLLOY-HZSPNIEDSA-N 1 0 356.426 2.878 20 5 FFBDRO CC(C)Cn1c([C@H](C)[N+](=O)[O-])nnc1N1CCC(C)([NH+]2CCCC2)CC1 ZINC001343629331 1052344918 /nfs/dbraw/zinc/34/49/18/1052344918.db2.gz AVGZZZMVTHZUEW-HNNXBMFYSA-N 1 0 364.494 2.727 20 5 FFBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1C[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC001307929413 1052367560 /nfs/dbraw/zinc/36/75/60/1052367560.db2.gz YHXWIMKBHPTTEV-OEYIWLLWSA-N 1 0 358.398 2.799 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](c1ccncc1)C1CC1 ZINC001308139420 1052415598 /nfs/dbraw/zinc/41/55/98/1052415598.db2.gz JOVMONUPDLMTHC-GOSISDBHSA-N 1 0 356.382 2.678 20 5 FFBDRO COC(=O)[C@H](C)Oc1ccccc1C[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC001308247312 1052436556 /nfs/dbraw/zinc/43/65/56/1052436556.db2.gz POLPVHIXCQGPGR-AWEZNQCLSA-N 1 0 374.393 2.704 20 5 FFBDRO CC[C@@H]1CCC[C@@H]([NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001308259257 1052438639 /nfs/dbraw/zinc/43/86/39/1052438639.db2.gz PEBUEKBPVPUCHX-HUUCEWRRSA-N 1 0 369.487 2.822 20 5 FFBDRO O=C(NC1(C2CC[NH2+]CC2)CC1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC001345477053 1052464593 /nfs/dbraw/zinc/46/45/93/1052464593.db2.gz DIIFBDACCPASJO-UHFFFAOYSA-N 1 0 368.231 2.619 20 5 FFBDRO CC(C)n1cc2c(n1)[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)CCC2 ZINC001345632005 1052548009 /nfs/dbraw/zinc/54/80/09/1052548009.db2.gz DOOAGMJEPQEGDD-SJLPKXTDSA-N 1 0 374.441 2.779 20 5 FFBDRO Cc1cc(S(=O)(=O)N2CCC[C@H]2C[NH+]2CCCCC2)c([N+](=O)[O-])s1 ZINC001309147438 1052563337 /nfs/dbraw/zinc/56/33/37/1052563337.db2.gz WGKLWOYYAHXGHI-ZDUSSCGKSA-N 1 0 373.500 2.604 20 5 FFBDRO COc1ccc(NC(=O)NCC2(C[NH+](C)C)CCCC2)c([N+](=O)[O-])c1 ZINC001346259565 1052806773 /nfs/dbraw/zinc/80/67/73/1052806773.db2.gz JRRKMPVYEQKEFD-UHFFFAOYSA-N 1 0 350.419 2.847 20 5 FFBDRO Cc1ccc(C)c(OC[C@@H](O)C[NH2+]CCNc2ccc([N+](=O)[O-])cc2)c1 ZINC001335314636 1053292687 /nfs/dbraw/zinc/29/26/87/1053292687.db2.gz QAPAZNALCBGWQR-SFHVURJKSA-N 1 0 359.426 2.653 20 5 FFBDRO C[C@@H](COc1c(F)cccc1F)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001335483942 1053392472 /nfs/dbraw/zinc/39/24/72/1053392472.db2.gz DSTOVTCXBRNSDZ-ZBEGNZNMSA-N 1 0 352.337 2.964 20 5 FFBDRO C[C@H](NC(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC001336726840 1054171653 /nfs/dbraw/zinc/17/16/53/1054171653.db2.gz DCDISKDMOVJQGR-ZKYQVNSYSA-N 1 0 374.363 2.825 20 5 FFBDRO C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC001336744017 1054186705 /nfs/dbraw/zinc/18/67/05/1054186705.db2.gz CGEYIBJPISZKDL-SNVBAGLBSA-N 1 0 374.210 2.711 20 5 FFBDRO C[C@](O)(C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 ZINC001336794869 1054232667 /nfs/dbraw/zinc/23/26/67/1054232667.db2.gz ONGKVOVYWQJAQZ-IRXDYDNUSA-N 1 0 350.802 2.779 20 5 FFBDRO Cc1c(CNC(=O)N2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)cccc1[N+](=O)[O-] ZINC001336809349 1054246835 /nfs/dbraw/zinc/24/68/35/1054246835.db2.gz ZNUIZWQQXLXTTO-ULQDDVLXSA-N 1 0 360.458 2.775 20 5 FFBDRO Cc1ccc(NC(=O)C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)c(Cl)c1 ZINC001336998775 1054402021 /nfs/dbraw/zinc/40/20/21/1054402021.db2.gz YXZHHACVQSZILN-INIZCTEOSA-N 1 0 363.801 2.818 20 5 FFBDRO O=C(c1cc(N[C@@H]2CC[N@@H+]3CCCC[C@H]23)ccc1[N+](=O)[O-])N1CCCC1 ZINC001337735676 1054978817 /nfs/dbraw/zinc/97/88/17/1054978817.db2.gz XLQNDDPGLYQQBM-SJLPKXTDSA-N 1 0 358.442 2.870 20 5 FFBDRO Cc1c(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000847253265 1055321103 /nfs/dbraw/zinc/32/11/03/1055321103.db2.gz ABGUWEGCRWYPIG-HUUCEWRRSA-N 1 0 362.386 2.558 20 5 FFBDRO O=C(c1cc([N+](=O)[O-])cc2ccccc21)N1CC[NH2+]CCC12CCOCC2 ZINC001356535212 1055562191 /nfs/dbraw/zinc/56/21/91/1055562191.db2.gz ROUVHCJDHSTNKK-UHFFFAOYSA-N 1 0 369.421 2.733 20 5 FFBDRO O=C(CCc1cccc([N+](=O)[O-])c1)NC1CCN(c2cc[nH+]cc2)CC1 ZINC001338500490 1055571140 /nfs/dbraw/zinc/57/11/40/1055571140.db2.gz YADOBELCHRYJEU-UHFFFAOYSA-N 1 0 354.410 2.708 20 5 FFBDRO C[C@H](COc1c(F)cccc1F)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001357240921 1055837915 /nfs/dbraw/zinc/83/79/15/1055837915.db2.gz DSTOVTCXBRNSDZ-BZNIZROVSA-N 1 0 352.337 2.964 20 5 FFBDRO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001357462159 1055910081 /nfs/dbraw/zinc/91/00/81/1055910081.db2.gz CIFFJPFRVTVTHN-KRWDZBQOSA-N 1 0 351.834 2.783 20 5 FFBDRO O=C([C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC001357618208 1055965220 /nfs/dbraw/zinc/96/52/20/1055965220.db2.gz CZVSUDWGUFILEV-QRVBRYPASA-N 1 0 351.406 2.871 20 5 FFBDRO CCC1([NH+](C)C)CCN(c2nnc([C@H](C)[N+](=O)[O-])n2CC(C)C)CC1 ZINC001358066811 1056126355 /nfs/dbraw/zinc/12/63/55/1056126355.db2.gz MRHAYYQSOCELIW-AWEZNQCLSA-N 1 0 352.483 2.582 20 5 FFBDRO CC(C)[C@@H](CNc1ncc([N+](=O)[O-])c2ccccc21)[NH+]1CCN(C)CC1 ZINC001353227509 1056207790 /nfs/dbraw/zinc/20/77/90/1056207790.db2.gz FFVKOWAWGAXRFJ-QGZVFWFLSA-N 1 0 357.458 2.827 20 5 FFBDRO CCn1c(-c2cccc([N+](=O)[O-])c2C)nnc1N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC001339235567 1056234195 /nfs/dbraw/zinc/23/41/95/1056234195.db2.gz WAKQCNJRQSGVKM-PBHICJAKSA-N 1 0 370.457 2.712 20 5 FFBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@@H]3CCC[C@@H](C(F)(F)F)O3)CC2)n1 ZINC001351413601 1056252452 /nfs/dbraw/zinc/25/24/52/1056252452.db2.gz HRTMDKJQSCVYFN-STQMWFEESA-N 1 0 362.352 2.928 20 5 FFBDRO CCN(c1nnc(C[N+](=O)[O-])n1CC)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001339454019 1056468643 /nfs/dbraw/zinc/46/86/43/1056468643.db2.gz FYQHAQQLYLLUFW-RDJZCZTQSA-N 1 0 372.473 2.737 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849597329 1056938519 /nfs/dbraw/zinc/93/85/19/1056938519.db2.gz SFOVPIGLQNCLQH-JKSUJKDBSA-N 1 0 371.441 2.619 20 5 FFBDRO C[N@@H+]1CCC[C@H](CNC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])C1 ZINC001443768458 1058242208 /nfs/dbraw/zinc/24/22/08/1058242208.db2.gz CTMRTIYWOWMQJV-CQSZACIVSA-N 1 0 354.410 2.728 20 5 FFBDRO CC[C@@H](C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)N1CCO[C@H](CC)C1 ZINC001445407708 1058400681 /nfs/dbraw/zinc/40/06/81/1058400681.db2.gz BGQVAGSLKYEDKF-SJORKVTESA-N 1 0 363.458 2.836 20 5 FFBDRO CC[NH+](CC)C[C@H]1CCN(CN2CC[C@H](c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000848480482 1060113865 /nfs/dbraw/zinc/11/38/65/1060113865.db2.gz MZWZITJIAMATCP-VQIMIIECSA-N 1 0 374.485 2.532 20 5 FFBDRO O=C(N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc([N+](=O)[O-])cc1F ZINC001355560356 1060360828 /nfs/dbraw/zinc/36/08/28/1060360828.db2.gz XWUQNOGRGINHOR-QFBILLFUSA-N 1 0 371.368 2.720 20 5 FFBDRO Cc1nnc(N(C)CCc2ccccc2[N+](=O)[O-])n1CC1([NH+](C)C)CCC1 ZINC001511794097 1060414216 /nfs/dbraw/zinc/41/42/16/1060414216.db2.gz NINDFRHOQHWBHS-UHFFFAOYSA-N 1 0 372.473 2.658 20 5 FFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccc2c(n1)C[NH2+]CC2 ZINC001521277392 1060505879 /nfs/dbraw/zinc/50/58/79/1060505879.db2.gz RXBAENYEGPRUML-UHFFFAOYSA-N 1 0 354.410 2.686 20 5 FFBDRO O=C(NC[C@@H]1[NH2+]CCc2ccccc21)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001521540948 1060948156 /nfs/dbraw/zinc/94/81/56/1060948156.db2.gz OEQYXNJAIWSOPD-OTWHNJEPSA-N 1 0 351.406 2.702 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N[C@H](C)C[N@@H+](C)C(C)C ZINC001475273973 1061030639 /nfs/dbraw/zinc/03/06/39/1061030639.db2.gz PQOCSCLHIPJGKS-LLVKDONJSA-N 1 0 363.867 2.564 20 5 FFBDRO C[C@@H]([NH2+]CC(=O)NCCO[C@H]1CCCC[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC001460769148 1061093614 /nfs/dbraw/zinc/09/36/14/1061093614.db2.gz VFXCIYOWZPSZMO-RKVPGOIHSA-N 1 0 363.458 2.957 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCC(c3ccc4[nH]ccc4c3)CC2)c1 ZINC001460905697 1061146150 /nfs/dbraw/zinc/14/61/50/1061146150.db2.gz WSRLNDCVUNBZNO-SFHVURJKSA-N 1 0 369.425 2.513 20 5 FFBDRO CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC001461214703 1061253276 /nfs/dbraw/zinc/25/32/76/1061253276.db2.gz FCJCBMOXIVCVOT-YPMHNXCESA-N 1 0 371.384 2.933 20 5 FFBDRO Cc1c(C[NH2+]C[C@@H]2COCCN2C(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC001461678516 1061376168 /nfs/dbraw/zinc/37/61/68/1061376168.db2.gz ZTKQENNFYNDMEO-OAHLLOKOSA-N 1 0 365.430 2.629 20 5 FFBDRO CC(C)[N@@H+]1CCCN(c2nnc(-c3c[nH]c([N+](=O)[O-])c3)n2CC2CC2)CC1 ZINC001527290925 1061460098 /nfs/dbraw/zinc/46/00/98/1061460098.db2.gz OMKKNNLOAPKSAI-UHFFFAOYSA-N 1 0 373.461 2.512 20 5 FFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC001528151326 1061776975 /nfs/dbraw/zinc/77/69/75/1061776975.db2.gz AQFKBSTXNSIMIA-CGTJXYLNSA-N 1 0 360.458 2.855 20 5 FFBDRO Cc1cc(F)cc(C(=O)NC2CCN(c3cc[nH+]cc3)CC2)c1[N+](=O)[O-] ZINC001522566892 1062213423 /nfs/dbraw/zinc/21/34/23/1062213423.db2.gz KGRFVBFZTMCYBX-UHFFFAOYSA-N 1 0 358.373 2.836 20 5 FFBDRO [NH3+][C@H]1CN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CC[C@H]1C(F)(F)F ZINC001522666953 1062245186 /nfs/dbraw/zinc/24/51/86/1062245186.db2.gz LAWCAOABIQNXRS-SCZZXKLOSA-N 1 0 351.712 2.600 20 5 FFBDRO [NH3+]C[C@@]12CC[C@H]1CCN2C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC001523557860 1062518532 /nfs/dbraw/zinc/51/85/32/1062518532.db2.gz JOXGPDBCPWWUPQ-BONVTDFDSA-N 1 0 355.847 2.680 20 5 FFBDRO C[C@H](CNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N)[N@@H+]1CCCC[C@@H]1C ZINC001441491713 1063445561 /nfs/dbraw/zinc/44/55/61/1063445561.db2.gz HACSXYXWKJUTBJ-VHSXEESVSA-N 1 0 372.828 2.962 20 5 FFBDRO C[C@@H](CNC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1)C[NH+]1CCCCC1 ZINC001441907998 1063482757 /nfs/dbraw/zinc/48/27/57/1063482757.db2.gz BXEJMQOEBLQDCD-NSHDSACASA-N 1 0 354.838 2.682 20 5 FFBDRO [NH3+]CC[C@@H](NCc1c(Br)cccc1[N+](=O)[O-])C(F)(F)F ZINC001580284796 1063533090 /nfs/dbraw/zinc/53/30/90/1063533090.db2.gz SDSLGAGPNFUUBX-SNVBAGLBSA-N 1 0 356.142 2.727 20 5 FFBDRO C[N@@H+]1CCCC[C@H](CNC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)C1 ZINC001467081789 1063632191 /nfs/dbraw/zinc/63/21/91/1063632191.db2.gz MOMABAATODYELX-SNVBAGLBSA-N 1 0 355.826 2.684 20 5 FFBDRO CC[NH+](CC)CC[C@H](NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)c1ccccc1 ZINC001472375592 1065036478 /nfs/dbraw/zinc/03/64/78/1065036478.db2.gz GPEBUHKOZRDGRN-INIZCTEOSA-N 1 0 372.425 2.898 20 5 FFBDRO Cc1cc(Nc2nn(C)cc2[N+](=O)[O-])cc(N2CC[NH+](C(C)C)CC2)c1 ZINC001472756151 1065140068 /nfs/dbraw/zinc/14/00/68/1065140068.db2.gz FSRYFXLIGGJNFT-UHFFFAOYSA-N 1 0 358.446 2.911 20 5 FFBDRO CN(CCN1CC[NH+](Cc2ccccc2)CC1)c1sccc1[N+](=O)[O-] ZINC001472781221 1065143405 /nfs/dbraw/zinc/14/34/05/1065143405.db2.gz YCZVDZXQJBZSLE-UHFFFAOYSA-N 1 0 360.483 2.910 20 5 FFBDRO C[C@H]1C[C@H](C)C[NH+](CCCNc2cc(-c3nn[nH]n3)sc2[N+](=O)[O-])C1 ZINC001575970197 1078182812 /nfs/dbraw/zinc/18/28/12/1078182812.db2.gz NSTUCRVNRORBNT-QWRGUYRKSA-N 1 0 365.463 2.616 20 5 FFBDRO C[C@@](CO)([NH2+]Cc1c[nH]c(=O)c2ccccc12)c1cccc([N+](=O)[O-])c1 ZINC001473714642 1065330132 /nfs/dbraw/zinc/33/01/32/1065330132.db2.gz WDSGDGMUZIDMBZ-IBGZPJMESA-N 1 0 353.378 2.846 20 5 FFBDRO CCc1cc(NC(=O)[C@H]2CC[C@H](C3CC3)[NH2+]2)c2cc([N+](=O)[O-])ccc2n1 ZINC001578247841 1078454885 /nfs/dbraw/zinc/45/48/85/1078454885.db2.gz BCCNYGQDZUNYPC-NVXWUHKLSA-N 1 0 354.410 2.596 20 5 FFBDRO C[NH2+]C[C@@H](C)Cn1c(C2CC2)nnc1N(C)CCc1cccc([N+](=O)[O-])c1 ZINC001578631451 1078506824 /nfs/dbraw/zinc/50/68/24/1078506824.db2.gz CBKRZYYBHZVBAH-CQSZACIVSA-N 1 0 372.473 2.598 20 5 FFBDRO C[NH2+]CCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](C)[C@@H](C)C1 ZINC001578694188 1078518437 /nfs/dbraw/zinc/51/84/37/1078518437.db2.gz LANNQMROZDCOKN-CABCVRRESA-N 1 0 372.473 2.945 20 5 FFBDRO COc1cc(C(=O)N2CC[C@@H](C[NH3+])c3ccccc32)c([N+](=O)[O-])cc1F ZINC001579139181 1078574210 /nfs/dbraw/zinc/57/42/10/1078574210.db2.gz ORECNBGJQAOKOM-NSHDSACASA-N 1 0 359.357 2.835 20 5 FFBDRO C[C@@H]([NH3+])Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)Cc1cccs1 ZINC001579402035 1078625723 /nfs/dbraw/zinc/62/57/23/1078625723.db2.gz GCOGCEFQMBAZQW-GFCCVEGCSA-N 1 0 372.454 2.898 20 5 FFBDRO C[C@@H]1C[NH2+]C[C@H]1CN1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC001579455837 1078631611 /nfs/dbraw/zinc/63/16/11/1078631611.db2.gz TXFNSUMMPXAARG-OLZOCXBDSA-N 1 0 372.391 2.591 20 5 FFBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N(Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC001580574392 1078828910 /nfs/dbraw/zinc/82/89/10/1078828910.db2.gz NQUUIJOPLPRAEK-LJQANCHMSA-N 1 0 353.422 2.918 20 5 FFBDRO O=C(c1cc(C(F)(F)F)ccc1[N+](=O)[O-])N1CCC[C@]2(CC[NH2+]C2)C1 ZINC001580811628 1078869616 /nfs/dbraw/zinc/86/96/16/1078869616.db2.gz UYPNCNSHTHFWAJ-OAHLLOKOSA-N 1 0 357.332 2.829 20 5 FFBDRO C[N@H+](CCNc1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-])C1CCCC1 ZINC001559100213 1076125493 /nfs/dbraw/zinc/12/54/93/1076125493.db2.gz IAVCWUBIKDWONS-UHFFFAOYSA-N 1 0 359.386 2.759 20 5 FFBDRO C[N@@H+]1CC[C@@H]2CN(c3c4cc([N+](=O)[O-])ccc4ncc3[N+](=O)[O-])CC[C@H]21 ZINC001559259890 1076140821 /nfs/dbraw/zinc/14/08/21/1076140821.db2.gz PXGCUOFWFBYLTH-IAQYHMDHSA-N 1 0 357.370 2.582 20 5 FFBDRO O=C1CC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CCCCCCN1 ZINC001560057256 1076219192 /nfs/dbraw/zinc/21/91/92/1076219192.db2.gz LTUWSUFJPGRMAX-UHFFFAOYSA-N 1 0 373.413 2.527 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+]C(C)(C)[C@@H]1CCCCO1 ZINC001560084668 1076224315 /nfs/dbraw/zinc/22/43/15/1076224315.db2.gz YABSKEGUMDRDPY-INIZCTEOSA-N 1 0 365.430 2.869 20 5 FFBDRO COC(=O)CC[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001560116639 1076230504 /nfs/dbraw/zinc/23/05/04/1076230504.db2.gz FRPZEOZSICESOT-GFCCVEGCSA-N 1 0 351.359 2.668 20 5 FFBDRO C[C@](CO)(Cc1ccc(F)cc1)[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001560183693 1076242913 /nfs/dbraw/zinc/24/29/13/1076242913.db2.gz VTZUKBMBFDCBKW-QGZVFWFLSA-N 1 0 363.345 2.725 20 5 FFBDRO COc1c(O)ccc(C[NH2+][C@@H]2CN(Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC001560736067 1076295033 /nfs/dbraw/zinc/29/50/33/1076295033.db2.gz GAQJCHCNANGZKR-RHSMWYFYSA-N 1 0 371.437 2.919 20 5 FFBDRO CCC(CC)[C@@H](CNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C)[NH+](C)C ZINC001561474776 1076381958 /nfs/dbraw/zinc/38/19/58/1076381958.db2.gz PUOJBGUMEHUAKN-OAHLLOKOSA-N 1 0 371.503 2.856 20 5 FFBDRO CC(C)CN(CC1CC[NH+](C)CC1)c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001574205128 1077926223 /nfs/dbraw/zinc/92/62/23/1077926223.db2.gz MYYSSYPAZGDDSV-UHFFFAOYSA-N 1 0 373.461 2.579 20 5 FFBDRO CC(C)[NH+]1CCC(CCNC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC1 ZINC001587310452 1079771342 /nfs/dbraw/zinc/77/13/42/1079771342.db2.gz NVRRDUYWRZVRKF-UHFFFAOYSA-N 1 0 362.474 2.901 20 5 FFBDRO Nc1c(Cl)cc(C(=O)NCCC[NH+]2CCCCCC2)cc1[N+](=O)[O-] ZINC001587440746 1079792865 /nfs/dbraw/zinc/79/28/65/1079792865.db2.gz ULHQVDUIUJZNNL-UHFFFAOYSA-N 1 0 354.838 2.826 20 5 FFBDRO CN(C(=O)c1ccc([N+](=O)[O-])cc1N)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001587795165 1079865771 /nfs/dbraw/zinc/86/57/71/1079865771.db2.gz VVCFUCXBCDCULQ-KRWDZBQOSA-N 1 0 368.437 2.914 20 5 FFBDRO C[C@H]1CCC[N@H+](CCCCNc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C1 ZINC001590259597 1081128547 /nfs/dbraw/zinc/12/85/47/1081128547.db2.gz LJFADHBLXFYPRM-ZDUSSCGKSA-N 1 0 359.434 2.699 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H]3CCS(=O)(=O)C3)s2)cc1 ZINC000102420195 250109478 /nfs/dbraw/zinc/10/94/78/250109478.db2.gz QOIGQTDXLJZIPH-LBPRGKRZSA-N 1 0 352.437 2.600 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2cnc(CCN3CC[C@@H]([NH+]4CCCC4)C3)o2)c1 ZINC000104685475 250182761 /nfs/dbraw/zinc/18/27/61/250182761.db2.gz NQZWORHQQOJNPC-QGZVFWFLSA-N 1 0 356.426 2.962 20 5 FFBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCSC3(CCOCC3)C2)cc1 ZINC000186836613 251273149 /nfs/dbraw/zinc/27/31/49/251273149.db2.gz KRJQTMFJEZDHMU-UHFFFAOYSA-N 1 0 352.456 2.962 20 5 FFBDRO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3nn(C)cc3[N+](=O)[O-])cc2)C1 ZINC000270726924 251615017 /nfs/dbraw/zinc/61/50/17/251615017.db2.gz BKVKIVYQZLPGTO-CYBMUJFWSA-N 1 0 357.414 2.813 20 5 FFBDRO CC1CC[NH+](CCc2cccc(NC(=O)Cn3ccc([N+](=O)[O-])n3)c2)CC1 ZINC000271272166 251747175 /nfs/dbraw/zinc/74/71/75/251747175.db2.gz NNDNYYUBZKERHP-UHFFFAOYSA-N 1 0 371.441 2.704 20 5 FFBDRO C[C@@H]1C[C@@H](N[C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C[N@@H+]1C1CC1 ZINC000272568327 252069857 /nfs/dbraw/zinc/06/98/57/252069857.db2.gz VJARECJRWDPNJW-SIIHOXLZSA-N 1 0 355.442 2.633 20 5 FFBDRO Cc1cc(N2CCC[C@H](c3nncn3C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272828956 252142044 /nfs/dbraw/zinc/14/20/44/252142044.db2.gz KRFJRXYSGJSWMW-ZDUSSCGKSA-N 1 0 352.398 2.964 20 5 FFBDRO C[C@@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C1=CC[N@H+](C)CC1 ZINC000273025628 252195309 /nfs/dbraw/zinc/19/53/09/252195309.db2.gz UJSJKOUAVUMRLI-CQSZACIVSA-N 1 0 358.442 2.575 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H]2CCc3ccc(F)cc32)cc1 ZINC000273504980 252319355 /nfs/dbraw/zinc/31/93/55/252319355.db2.gz ZLJPJRVFHHUHQF-KRWDZBQOSA-N 1 0 364.398 2.785 20 5 FFBDRO CS[C@H]1CN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@@H]1[NH+]1CCCC1 ZINC000273526906 252324385 /nfs/dbraw/zinc/32/43/85/252324385.db2.gz QKNBYHSUWVVQOJ-IRXDYDNUSA-N 1 0 374.466 2.728 20 5 FFBDRO CS[C@@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@H]1[NH+]1CCCC1 ZINC000275810990 256050066 /nfs/dbraw/zinc/05/00/66/256050066.db2.gz QAGVQHZPMOLNBB-HUUCEWRRSA-N 1 0 350.444 2.638 20 5 FFBDRO CCc1cc(N2CC[C@H](C)[S@@](=O)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000277219669 256173570 /nfs/dbraw/zinc/17/35/70/256173570.db2.gz RMXKOWKHVTYVLD-NRRJATNASA-N 1 0 374.466 2.962 20 5 FFBDRO C[NH+](C)[C@@H]1CCCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000277275755 256179339 /nfs/dbraw/zinc/17/93/39/256179339.db2.gz MUYWVXZNKOTSPE-CQSZACIVSA-N 1 0 369.849 2.960 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000277631977 256220316 /nfs/dbraw/zinc/22/03/16/256220316.db2.gz SHJVJQJHWBOURI-UHFFFAOYSA-N 1 0 359.382 2.796 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)cn1 ZINC000278418301 256310537 /nfs/dbraw/zinc/31/05/37/256310537.db2.gz BYHMPKPAZYTVCX-OAHLLOKOSA-N 1 0 369.425 2.691 20 5 FFBDRO O=C(NCC1CC[NH+](C2CC2)CC1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000279090311 256380546 /nfs/dbraw/zinc/38/05/46/256380546.db2.gz RBEIYYTXXDKVOX-UHFFFAOYSA-N 1 0 353.369 2.677 20 5 FFBDRO CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC000282798357 256788675 /nfs/dbraw/zinc/78/86/75/256788675.db2.gz OFHRHGJESROZDV-UHFFFAOYSA-N 1 0 358.446 2.840 20 5 FFBDRO COC(=O)c1cc(C)nc(N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000286128373 257021714 /nfs/dbraw/zinc/02/17/14/257021714.db2.gz HEGXLIJKCVKZAG-CJNGLKHVSA-N 1 0 374.441 2.538 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H](CCO)c2ccc(Cl)cc2)c1 ZINC000286697283 257050375 /nfs/dbraw/zinc/05/03/75/257050375.db2.gz DOINYXRWCLQJFQ-DLBZAZTESA-N 1 0 350.802 2.995 20 5 FFBDRO COc1ccc([C@H](CNc2ccc(N)cc2[N+](=O)[O-])[NH+](C)C)cc1OC ZINC000287057059 257069584 /nfs/dbraw/zinc/06/95/84/257069584.db2.gz SGHLXXXYYUJWRG-INIZCTEOSA-N 1 0 360.414 2.909 20 5 FFBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000288169124 257154812 /nfs/dbraw/zinc/15/48/12/257154812.db2.gz AXNHWHDQOJUYDP-KGLIPLIRSA-N 1 0 354.410 2.842 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000289314382 257274241 /nfs/dbraw/zinc/27/42/41/257274241.db2.gz BOBCUFSHKZFGLX-AZUAARDMSA-N 1 0 368.437 2.877 20 5 FFBDRO [NH3+]C[C@H]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CC1 ZINC000289222845 257267073 /nfs/dbraw/zinc/26/70/73/257267073.db2.gz LHXWSMKADSLCKN-SHTZXODSSA-N 1 0 360.458 2.690 20 5 FFBDRO COc1cc(C[NH2+]C[C@@]2(C)OCCc3sccc32)c([N+](=O)[O-])cc1O ZINC000289864851 257303621 /nfs/dbraw/zinc/30/36/21/257303621.db2.gz QPSQJPHNJTWEPE-QGZVFWFLSA-N 1 0 364.423 2.948 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])c(-c2nc([C@H]3C[N@@H+]4CCC[C@@H]4CO3)no2)c1 ZINC000289969624 257309097 /nfs/dbraw/zinc/30/90/97/257309097.db2.gz ZZAMAFLBWWOUBQ-IAQYHMDHSA-N 1 0 360.370 2.579 20 5 FFBDRO CC1(C)C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@@H]1[C@H]1CCCO1 ZINC000289969465 257309272 /nfs/dbraw/zinc/30/92/72/257309272.db2.gz XELNISAFCGOFOM-NVXWUHKLSA-N 1 0 365.405 2.952 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000290297776 257324293 /nfs/dbraw/zinc/32/42/93/257324293.db2.gz DVGIDORROHZKRG-AWEZNQCLSA-N 1 0 354.410 2.605 20 5 FFBDRO CCn1c(C)nc([N+](=O)[O-])c1NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000289579742 257288252 /nfs/dbraw/zinc/28/82/52/257288252.db2.gz INOSPYIGTCHVQQ-QGZVFWFLSA-N 1 0 373.457 2.688 20 5 FFBDRO C[C@H]([NH2+]C(C)(C)CNc1nccc(C(N)=O)c1[N+](=O)[O-])c1ccccc1 ZINC000290518367 257338421 /nfs/dbraw/zinc/33/84/21/257338421.db2.gz FXHPFDOHKHMMNA-LBPRGKRZSA-N 1 0 357.414 2.630 20 5 FFBDRO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@](CO)(c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000291247138 257393595 /nfs/dbraw/zinc/39/35/95/257393595.db2.gz LPOKMWWBBGNKND-SFHVURJKSA-N 1 0 357.366 2.639 20 5 FFBDRO O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000293350194 257542879 /nfs/dbraw/zinc/54/28/79/257542879.db2.gz JXXUHGVKPOIDPL-GXTWGEPZSA-N 1 0 358.423 2.542 20 5 FFBDRO CCc1cc(N2CCC([NH2+][C@H](C)c3ccc(N)c([N+](=O)[O-])c3)CC2)ncn1 ZINC000294760403 257601353 /nfs/dbraw/zinc/60/13/53/257601353.db2.gz MNJOIKCVVONXCV-CYBMUJFWSA-N 1 0 370.457 2.849 20 5 FFBDRO C[NH+](C)CCC1CCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)CC1 ZINC000294866019 257605995 /nfs/dbraw/zinc/60/59/95/257605995.db2.gz BJYXLHPSXAYTTE-UHFFFAOYSA-N 1 0 371.441 2.789 20 5 FFBDRO COc1ccc([C@@H](C[NH+]2CCCC2)Nc2ncc([N+](=O)[O-])c(C)n2)cc1 ZINC000295113282 257616941 /nfs/dbraw/zinc/61/69/41/257616941.db2.gz VRJVZERINMPJBB-MRXNPFEDSA-N 1 0 357.414 2.951 20 5 FFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CCC[N@H+](C)CCN(C)C ZINC000297466492 257835766 /nfs/dbraw/zinc/83/57/66/257835766.db2.gz QSKHYLRDCZAZJE-UHFFFAOYSA-N 1 0 365.478 2.504 20 5 FFBDRO O=C(NCCCCC[NH+]1CCCC1)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000298554349 257922227 /nfs/dbraw/zinc/92/22/27/257922227.db2.gz ZZLFQPLHPMEPSR-UHFFFAOYSA-N 1 0 374.445 2.536 20 5 FFBDRO COCC[N@@H+]1CCC[C@H]1CNc1ccc(Br)cc1[N+](=O)[O-] ZINC000301160059 258029792 /nfs/dbraw/zinc/02/97/92/258029792.db2.gz OWJLRWZUJCSCLN-LBPRGKRZSA-N 1 0 358.236 2.880 20 5 FFBDRO Cc1ccnc(NCc2ccc(CN3CC[NH+](C)CC3)cc2)c1[N+](=O)[O-] ZINC000301309251 258041782 /nfs/dbraw/zinc/04/17/82/258041782.db2.gz XISUWKOFKANIQG-UHFFFAOYSA-N 1 0 355.442 2.658 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000302481393 258103245 /nfs/dbraw/zinc/10/32/45/258103245.db2.gz WMKNQOGKNCMUMZ-HXUWFJFHSA-N 1 0 355.438 2.976 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1N1CCC(CCC[NH+]3CCOCC3)CC1)CCN2 ZINC000302893794 258114321 /nfs/dbraw/zinc/11/43/21/258114321.db2.gz QHGURQUNAXJHLW-UHFFFAOYSA-N 1 0 374.485 2.892 20 5 FFBDRO Cc1cnc(NC[C@@H](C)[NH+]2CCN(c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000301438877 258049909 /nfs/dbraw/zinc/04/99/09/258049909.db2.gz LLCIKHSFZJLXSF-MRXNPFEDSA-N 1 0 355.442 2.921 20 5 FFBDRO COc1cc(F)c([N+](=O)[O-])c(NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c1 ZINC000301712949 258064416 /nfs/dbraw/zinc/06/44/16/258064416.db2.gz VUJKLFGDFBRZOW-IRXDYDNUSA-N 1 0 367.421 2.922 20 5 FFBDRO C[C@@H]1C[C@@H](Nc2ccc3ncc([N+](=O)[O-])n3n2)C[N@@H+]1Cc1ccccc1 ZINC000301975103 258079232 /nfs/dbraw/zinc/07/92/32/258079232.db2.gz VRNZXIZBMRZTPX-UKRRQHHQSA-N 1 0 352.398 2.712 20 5 FFBDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000302012228 258081516 /nfs/dbraw/zinc/08/15/16/258081516.db2.gz WUYJVVKFCZPNTM-INIZCTEOSA-N 1 0 366.425 2.596 20 5 FFBDRO O=[N+]([O-])c1cnc2ccc(N3CCC[C@H](C[NH+]4CCCCCC4)C3)nn21 ZINC000302005048 258081882 /nfs/dbraw/zinc/08/18/82/258081882.db2.gz SGLULOJMARPXPN-OAHLLOKOSA-N 1 0 358.446 2.730 20 5 FFBDRO C[C@@H]1C[N@@H+](CC2CCN(Cc3csc([N+](=O)[O-])c3)CC2)C[C@H](C)O1 ZINC000330427432 258163800 /nfs/dbraw/zinc/16/38/00/258163800.db2.gz KLCXZVCISANDLQ-OKILXGFUSA-N 1 0 353.488 2.978 20 5 FFBDRO C[C@@H]1C[C@H](N(C)C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000330783052 258170447 /nfs/dbraw/zinc/17/04/47/258170447.db2.gz HRWUWZBYUGSXLM-ZYHUDNBSSA-N 1 0 357.357 2.751 20 5 FFBDRO CS[C@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000332082740 258213194 /nfs/dbraw/zinc/21/31/94/258213194.db2.gz OLCIGEBIFYJXOE-CABCVRRESA-N 1 0 369.874 2.900 20 5 FFBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])C1 ZINC000332117495 258214579 /nfs/dbraw/zinc/21/45/79/258214579.db2.gz HVEGDVCXORUCLB-BBWFWOEESA-N 1 0 374.485 2.895 20 5 FFBDRO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000332465400 258231492 /nfs/dbraw/zinc/23/14/92/258231492.db2.gz ISJOMPUJCRECGY-JSGCOSHPSA-N 1 0 366.849 2.745 20 5 FFBDRO C[C@H](CCNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)[NH+]1CCCCC1 ZINC000331635522 258194514 /nfs/dbraw/zinc/19/45/14/258194514.db2.gz TZYYXYSCEJVOMD-OAHLLOKOSA-N 1 0 360.458 2.927 20 5 FFBDRO Cn1ccnc1[C@H]1CCCN(c2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000373056024 512150898 /nfs/dbraw/zinc/15/08/98/512150898.db2.gz GWYWOGMHZXHPEM-JTQLQIEISA-N 1 0 366.219 2.870 20 5 FFBDRO CCc1n[nH]c(C(=O)N2CC[N@H+](Cc3ccccc3)CC[C@@H]2C)c1[N+](=O)[O-] ZINC000373068273 512155874 /nfs/dbraw/zinc/15/58/74/512155874.db2.gz FEGRBZVMEYUVQO-AWEZNQCLSA-N 1 0 371.441 2.617 20 5 FFBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000174523586 510158276 /nfs/dbraw/zinc/15/82/76/510158276.db2.gz XSIVNGODARBHHZ-NSHDSACASA-N 1 0 370.247 2.771 20 5 FFBDRO CCCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000064995480 506247853 /nfs/dbraw/zinc/24/78/53/506247853.db2.gz SKXQGIPMWDDVTL-CVEARBPZSA-N 1 0 363.458 2.990 20 5 FFBDRO O=[N+]([O-])c1ccc(OCCN2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000065209202 506270526 /nfs/dbraw/zinc/27/05/26/506270526.db2.gz NZEPBSJGBANJMA-UHFFFAOYSA-N 1 0 355.438 2.834 20 5 FFBDRO Cc1sc(C(=O)N2C[C@@H](C[NH+](C)C)Oc3ccccc32)cc1[N+](=O)[O-] ZINC000371211344 512271097 /nfs/dbraw/zinc/27/10/97/512271097.db2.gz YZKCDKRVAOOENN-GFCCVEGCSA-N 1 0 361.423 2.934 20 5 FFBDRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000065940347 506398804 /nfs/dbraw/zinc/39/88/04/506398804.db2.gz VACVZWFLKNYCMF-UHFFFAOYSA-N 1 0 359.401 2.867 20 5 FFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000377481858 512288423 /nfs/dbraw/zinc/28/84/23/512288423.db2.gz PIVBIFVLPDRCTA-UHFFFAOYSA-N 1 0 362.430 2.561 20 5 FFBDRO C[NH+]1CCN(Cc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3F)cc2)CC1 ZINC000054776328 506617798 /nfs/dbraw/zinc/61/77/98/506617798.db2.gz UOXPNJMIYGIYJX-UHFFFAOYSA-N 1 0 372.400 2.734 20 5 FFBDRO Cc1occc1C(=O)NC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000066890301 506682378 /nfs/dbraw/zinc/68/23/78/506682378.db2.gz SHWMDJQLCKZBRX-UHFFFAOYSA-N 1 0 357.410 2.933 20 5 FFBDRO CC(C)C[NH+]1CCC(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000067264950 506807706 /nfs/dbraw/zinc/80/77/06/506807706.db2.gz GPPPZOXPHFZXDM-UHFFFAOYSA-N 1 0 371.441 2.631 20 5 FFBDRO CS(=O)(=O)c1ccc(NCCC[NH2+]C2CCCCC2)c([N+](=O)[O-])c1 ZINC000045096402 506917992 /nfs/dbraw/zinc/91/79/92/506917992.db2.gz OPHZWCMZOCAPCP-UHFFFAOYSA-N 1 0 355.460 2.723 20 5 FFBDRO O=C(CCN1CC[NH+](Cc2cccs2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000045799613 507023675 /nfs/dbraw/zinc/02/36/75/507023675.db2.gz NCZLSUJGOXXFSU-UHFFFAOYSA-N 1 0 374.466 2.803 20 5 FFBDRO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000367050037 512314582 /nfs/dbraw/zinc/31/45/82/512314582.db2.gz LMJQVZIUMHCSJR-MRXNPFEDSA-N 1 0 357.414 2.802 20 5 FFBDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000067922871 507053835 /nfs/dbraw/zinc/05/38/35/507053835.db2.gz XEFMULXKWXHXTE-MRXNPFEDSA-N 1 0 363.458 2.917 20 5 FFBDRO COc1cc(C(=O)NCc2cccc(C[NH+](C)C)c2)c([N+](=O)[O-])cc1OC ZINC000046380221 507126070 /nfs/dbraw/zinc/12/60/70/507126070.db2.gz DOYGAZHOQDLOMW-UHFFFAOYSA-N 1 0 373.409 2.604 20 5 FFBDRO C[NH+](C)CCOc1cccc(CNC(=O)NCc2ccc([N+](=O)[O-])cc2)c1 ZINC000057004911 507144591 /nfs/dbraw/zinc/14/45/91/507144591.db2.gz GBYYLPJLLAXNOV-UHFFFAOYSA-N 1 0 372.425 2.535 20 5 FFBDRO C[C@@H](CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)[N@@H+]1CCC[C@H](C)C1 ZINC000068203010 507147313 /nfs/dbraw/zinc/14/73/13/507147313.db2.gz SHXOTTZEGUEUEF-GJZGRUSLSA-N 1 0 358.442 2.786 20 5 FFBDRO CCOc1ccc(C(=O)Nc2nc3c(s2)C[C@@H]([NH3+])CC3)cc1[N+](=O)[O-] ZINC000377554986 512324125 /nfs/dbraw/zinc/32/41/25/512324125.db2.gz PRUYPEAHYMTVGK-JTQLQIEISA-N 1 0 362.411 2.518 20 5 FFBDRO CCCC[NH+]1CCC(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000068442511 507235591 /nfs/dbraw/zinc/23/55/91/507235591.db2.gz ODWARSUQXKQSSY-UHFFFAOYSA-N 1 0 371.441 2.775 20 5 FFBDRO CC(=O)c1ccc(NCc2ccc(N3CC[NH+](C)CC3)nc2)c([N+](=O)[O-])c1 ZINC000022874654 507318166 /nfs/dbraw/zinc/31/81/66/507318166.db2.gz NOUQVIJUXCDSTF-UHFFFAOYSA-N 1 0 369.425 2.556 20 5 FFBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000069035390 507386211 /nfs/dbraw/zinc/38/62/11/507386211.db2.gz SKKFCLXXZLMTQP-HNNXBMFYSA-N 1 0 371.441 2.631 20 5 FFBDRO CNc1ccc(C(=O)NC[C@H](C)[N@@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000025631977 507516652 /nfs/dbraw/zinc/51/66/52/507516652.db2.gz CYDBIUVONSJBPL-AWEZNQCLSA-N 1 0 368.437 2.813 20 5 FFBDRO O=C(COc1cccc([N+](=O)[O-])c1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000060578998 507565288 /nfs/dbraw/zinc/56/52/88/507565288.db2.gz HZDNSEFLXLCTOV-UHFFFAOYSA-N 1 0 361.442 2.698 20 5 FFBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000061210559 507604083 /nfs/dbraw/zinc/60/40/83/507604083.db2.gz ILYZKQBXYUSMLK-UHFFFAOYSA-N 1 0 369.425 2.531 20 5 FFBDRO CC(C)C[NH+]1CCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000049969164 507645215 /nfs/dbraw/zinc/64/52/15/507645215.db2.gz JRVHGHHRYLSTDN-ZDUSSCGKSA-N 1 0 368.865 2.849 20 5 FFBDRO O=C(NCCNc1ccccc1[N+](=O)[O-])[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000050025576 507652296 /nfs/dbraw/zinc/65/22/96/507652296.db2.gz XRLFZMZFYRHJDP-LJQANCHMSA-N 1 0 368.437 2.788 20 5 FFBDRO O=C(CNc1ccccc1[N+](=O)[O-])NC1CC[NH+](CC2CCCC2)CC1 ZINC000063271874 507709628 /nfs/dbraw/zinc/70/96/28/507709628.db2.gz GGNHCCWPDJDGGA-UHFFFAOYSA-N 1 0 360.458 2.778 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000063467675 507734102 /nfs/dbraw/zinc/73/41/02/507734102.db2.gz WVKQFISRGNGRDK-UHFFFAOYSA-N 1 0 357.410 2.774 20 5 FFBDRO CC[N@@H+]1CC[C@@H](CNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000051469039 507771770 /nfs/dbraw/zinc/77/17/70/507771770.db2.gz PEPSUCAPSJYGHO-LBPRGKRZSA-N 1 0 360.439 2.790 20 5 FFBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H](O)COc2cccc3[nH]ccc32)cc1 ZINC000029326486 507774254 /nfs/dbraw/zinc/77/42/54/507774254.db2.gz APXRDOFMWGTSJI-MRXNPFEDSA-N 1 0 355.394 2.648 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N(CC[NH+](C)C)Cc1ccccn1 ZINC000107372908 507847543 /nfs/dbraw/zinc/84/75/43/507847543.db2.gz QAFBSAQDAVEZFD-UHFFFAOYSA-N 1 0 357.414 2.894 20 5 FFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000078403825 507868486 /nfs/dbraw/zinc/86/84/86/507868486.db2.gz DBFASOWKMXNLEH-GFCCVEGCSA-N 1 0 359.348 2.772 20 5 FFBDRO C[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1CCC(CO)CC1 ZINC000089924597 507884444 /nfs/dbraw/zinc/88/44/44/507884444.db2.gz LNJMSNPSUQCAPJ-UHFFFAOYSA-N 1 0 355.822 2.670 20 5 FFBDRO Cc1cnc(Sc2nnc(C3CC[NH2+]CC3)n2C2CC2)c([N+](=O)[O-])c1 ZINC000078664822 507894976 /nfs/dbraw/zinc/89/49/76/507894976.db2.gz QIIYIDRXBANCTO-UHFFFAOYSA-N 1 0 360.443 2.843 20 5 FFBDRO CC[C@H]([NH2+][C@@H]1CCCN(c2ccn(C)n2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000090068701 507905902 /nfs/dbraw/zinc/90/59/02/507905902.db2.gz PMSYXAUOBFOVLI-JKSUJKDBSA-N 1 0 357.414 2.565 20 5 FFBDRO C[N@H+](CCCO)C1CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1 ZINC000090093189 507908449 /nfs/dbraw/zinc/90/84/49/507908449.db2.gz ZTGGWEIIJMACRE-UHFFFAOYSA-N 1 0 370.453 2.940 20 5 FFBDRO CCC[C@@H]([NH2+][C@H]1CCCN(c2ccn(C)n2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000090115957 507909345 /nfs/dbraw/zinc/90/93/45/507909345.db2.gz RBUHBWRDNPRJPV-SJORKVTESA-N 1 0 371.441 2.955 20 5 FFBDRO CCC[C@H]([NH2+][C@@H]1CCc2nc(COC)nn2C1)c1cccc([N+](=O)[O-])c1 ZINC000090393699 507917377 /nfs/dbraw/zinc/91/73/77/507917377.db2.gz OKKVWFNDSLHZGO-ZBFHGGJFSA-N 1 0 359.430 2.779 20 5 FFBDRO COc1cc(C(=O)N2C[C@@H]([NH+](C)C)Cc3ccccc32)ccc1[N+](=O)[O-] ZINC000109112782 507940091 /nfs/dbraw/zinc/94/00/91/507940091.db2.gz FPTYNCRMOKYZCS-HNNXBMFYSA-N 1 0 355.394 2.737 20 5 FFBDRO COC(=O)c1cc(NC(=O)c2cccc(C[NH+](C)C)c2)cc([N+](=O)[O-])c1 ZINC000073817211 507959020 /nfs/dbraw/zinc/95/90/20/507959020.db2.gz CLHDKBUXAYTROD-UHFFFAOYSA-N 1 0 357.366 2.695 20 5 FFBDRO Cn1cc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000092043074 508037061 /nfs/dbraw/zinc/03/70/61/508037061.db2.gz XPECEGDJMIGYJN-VQIMIIECSA-N 1 0 369.469 2.911 20 5 FFBDRO CC(C)CC[NH+]1CCC(CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000080284040 508062326 /nfs/dbraw/zinc/06/23/26/508062326.db2.gz XZBCJUZSJOAOBH-UHFFFAOYSA-N 1 0 369.487 2.631 20 5 FFBDRO COc1ccc(C[N@H+](CCO)CCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000111322541 508090227 /nfs/dbraw/zinc/09/02/27/508090227.db2.gz CPZMKYJPTFVLEK-UHFFFAOYSA-N 1 0 360.410 2.649 20 5 FFBDRO CN(C(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F)c1ccc([N+](=O)[O-])nc1 ZINC000410803957 512378847 /nfs/dbraw/zinc/37/88/47/512378847.db2.gz BRNWEKKSCCWYFZ-VXGBXAGGSA-N 1 0 374.363 2.861 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000080960259 508118032 /nfs/dbraw/zinc/11/80/32/508118032.db2.gz KMNMWNZZBNVSGB-CQSZACIVSA-N 1 0 357.414 2.835 20 5 FFBDRO CC(C)[NH+]1CCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000075634883 508123745 /nfs/dbraw/zinc/12/37/45/508123745.db2.gz UNBRNJYTZACHEM-GFCCVEGCSA-N 1 0 354.838 2.601 20 5 FFBDRO COc1cc(C(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000081124425 508140360 /nfs/dbraw/zinc/14/03/60/508140360.db2.gz PTBCXXATMIGGGL-KRWDZBQOSA-N 1 0 369.421 2.950 20 5 FFBDRO CC[NH+](CC)C[C@@H]1CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000076003761 508151257 /nfs/dbraw/zinc/15/12/57/508151257.db2.gz KWOZICUIIZCZQU-AWEZNQCLSA-N 1 0 359.430 2.809 20 5 FFBDRO C[NH+](C)CCN(CC1CCCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000097598510 508226756 /nfs/dbraw/zinc/22/67/56/508226756.db2.gz QIMSEDRNMMNUMF-UHFFFAOYSA-N 1 0 369.487 2.727 20 5 FFBDRO C[C@@H]1C[N@@H+](CCCCNC(=O)/C=C/c2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000083043588 508234768 /nfs/dbraw/zinc/23/47/68/508234768.db2.gz MKCLJIMBECHRSI-WTBPUQPLSA-N 1 0 361.442 2.614 20 5 FFBDRO CC1CCN(c2ccc(C(=O)NCC3CC[NH+](C)CC3)cc2[N+](=O)[O-])CC1 ZINC000101522922 508242824 /nfs/dbraw/zinc/24/28/24/508242824.db2.gz IQIMUGIJBXLYHQ-UHFFFAOYSA-N 1 0 374.485 2.903 20 5 FFBDRO C[C@@H]1CCC[N@H+](Cc2ccc(CNc3ncc([N+](=O)[O-])c(N)n3)cc2)C1 ZINC000076750667 508250905 /nfs/dbraw/zinc/25/09/05/508250905.db2.gz XXHSBDXOLBNEGY-CYBMUJFWSA-N 1 0 356.430 2.811 20 5 FFBDRO O=[N+]([O-])c1cnn(CC[N@H+](Cc2ccccc2)C[C@H](O)c2ccco2)c1 ZINC000084135370 508266757 /nfs/dbraw/zinc/26/67/57/508266757.db2.gz OMXZSIPASAAJBS-KRWDZBQOSA-N 1 0 356.382 2.620 20 5 FFBDRO C[C@@H]1C[N@@H+](CCCCNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@H](C)O1 ZINC000085457041 508309911 /nfs/dbraw/zinc/30/99/11/508309911.db2.gz UEJPLLPHWAYBDS-OKILXGFUSA-N 1 0 374.441 2.695 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000085620010 508314657 /nfs/dbraw/zinc/31/46/57/508314657.db2.gz UJPCJHMLFSJYQA-ZIAGYGMSSA-N 1 0 364.446 2.832 20 5 FFBDRO CC(C)(CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)[NH+]1CCCCC1 ZINC000087024835 508332069 /nfs/dbraw/zinc/33/20/69/508332069.db2.gz HOWFRNPBKLSQJT-UHFFFAOYSA-N 1 0 360.458 2.927 20 5 FFBDRO C[C@@H](CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)[N@@H+]1CCCC[C@H]1C ZINC000087037216 508333724 /nfs/dbraw/zinc/33/37/24/508333724.db2.gz FAHIPHXKPPWZOB-CABCVRRESA-N 1 0 360.458 2.925 20 5 FFBDRO C[NH+](C)CCOc1ccccc1C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088251928 508361313 /nfs/dbraw/zinc/36/13/13/508361313.db2.gz PFCFYBFWFICWJR-UHFFFAOYSA-N 1 0 369.421 2.734 20 5 FFBDRO C[NH+](C)[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1F)c1ccc(F)cc1 ZINC000133579946 508419520 /nfs/dbraw/zinc/41/95/20/508419520.db2.gz LWLOGDWINOWWRI-KRWDZBQOSA-N 1 0 363.364 2.835 20 5 FFBDRO Cc1ccc(C(=O)N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)cc1[N+](=O)[O-] ZINC000133626505 508425860 /nfs/dbraw/zinc/42/58/60/508425860.db2.gz CUGBOWGFRQZWKX-IAGOWNOFSA-N 1 0 374.485 2.534 20 5 FFBDRO C[N@@H+]1CCCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000127403545 508445517 /nfs/dbraw/zinc/44/55/17/508445517.db2.gz UMINFJOXXGJHLY-UHFFFAOYSA-N 1 0 368.437 2.985 20 5 FFBDRO C[C@@H]([NH2+]CCN(C)S(=O)(=O)c1cccs1)c1ccc([N+](=O)[O-])cc1 ZINC000152444597 508447315 /nfs/dbraw/zinc/44/73/15/508447315.db2.gz QZLOJCSOIYOWLG-GFCCVEGCSA-N 1 0 369.468 2.628 20 5 FFBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000134134900 508497914 /nfs/dbraw/zinc/49/79/14/508497914.db2.gz VDDQBDAWTZFCLV-OAHLLOKOSA-N 1 0 360.458 2.640 20 5 FFBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000157119846 508525693 /nfs/dbraw/zinc/52/56/93/508525693.db2.gz LRPCHFGOGCROIL-QAPCUYQASA-N 1 0 360.458 2.730 20 5 FFBDRO O=C(CC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)Nc1ccc2c(c1)OCO2 ZINC000153063337 508544234 /nfs/dbraw/zinc/54/42/34/508544234.db2.gz DGPHHXKECHPEOO-UHFFFAOYSA-N 1 0 369.377 2.710 20 5 FFBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116746449 508554083 /nfs/dbraw/zinc/55/40/83/508554083.db2.gz ZXVMXQUTOHFZBK-GFCCVEGCSA-N 1 0 357.838 2.864 20 5 FFBDRO C[C@H]1CCCN(c2ccc(C(=O)N[C@@H]3CCCC[C@H]3[NH3+])cc2[N+](=O)[O-])C1 ZINC000128203795 508562821 /nfs/dbraw/zinc/56/28/21/508562821.db2.gz NWJQLWXFNNKQRJ-NUEKZKHPSA-N 1 0 360.458 2.831 20 5 FFBDRO C[C@H](C(=O)N1CCc2ccccc21)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153354899 508574809 /nfs/dbraw/zinc/57/48/09/508574809.db2.gz BRWXXCKEVZKXNQ-CQSZACIVSA-N 1 0 351.406 2.931 20 5 FFBDRO C[C@H](Nc1ccc(C(=O)N2CCC([NH3+])CC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000157577033 508583331 /nfs/dbraw/zinc/58/33/31/508583331.db2.gz OMJWIRHRNFEHMV-ZDUSSCGKSA-N 1 0 369.425 2.726 20 5 FFBDRO COc1ccc(OCC[NH2+][C@@H]2CCCC[C@H]2n2cccn2)c([N+](=O)[O-])c1 ZINC000129000759 508668943 /nfs/dbraw/zinc/66/89/43/508668943.db2.gz NXWJGINBTDITQY-HZPDHXFCSA-N 1 0 360.414 2.952 20 5 FFBDRO CCCC[NH+]1CCC(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)CC1 ZINC000123354039 508673750 /nfs/dbraw/zinc/67/37/50/508673750.db2.gz YLFYPGYUQDLZHB-UHFFFAOYSA-N 1 0 361.489 2.508 20 5 FFBDRO Cc1c(CN2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)cccc1[N+](=O)[O-] ZINC000153920442 508677049 /nfs/dbraw/zinc/67/70/49/508677049.db2.gz XXDQTAZVUJBSKR-IAGOWNOFSA-N 1 0 360.502 2.894 20 5 FFBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000118841527 508683377 /nfs/dbraw/zinc/68/33/77/508683377.db2.gz PVZGBFMRTKXPRU-ZIAGYGMSSA-N 1 0 359.430 2.979 20 5 FFBDRO Cn1cc([C@H](O)C[C@@H]2CCC[N@@H+]2CCCOc2ccc([N+](=O)[O-])cc2)cn1 ZINC000371454787 512411345 /nfs/dbraw/zinc/41/13/45/512411345.db2.gz BDYRCVCGEJAXLU-PKOBYXMFSA-N 1 0 374.441 2.685 20 5 FFBDRO O=[N+]([O-])c1cccc(Cl)c1CN1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000119106161 508727319 /nfs/dbraw/zinc/72/73/19/508727319.db2.gz VZXKUNSUMFBUGB-CQSZACIVSA-N 1 0 353.850 2.792 20 5 FFBDRO CCOc1ccc([C@@H](C)[NH2+]CCN2CCC(OC)CC2)cc1[N+](=O)[O-] ZINC000154156875 508727985 /nfs/dbraw/zinc/72/79/85/508727985.db2.gz AEPXKRJTYNFINO-CQSZACIVSA-N 1 0 351.447 2.755 20 5 FFBDRO O=C(C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])NCc1ccco1 ZINC000129708699 508756859 /nfs/dbraw/zinc/75/68/59/508756859.db2.gz IMIHDYFKFHBTCP-PBHICJAKSA-N 1 0 357.410 2.805 20 5 FFBDRO COc1ccc(NC(=O)C[N@H+](C)[C@H](C)Cc2ccc(O)cc2)c([N+](=O)[O-])c1 ZINC000119387371 508786092 /nfs/dbraw/zinc/78/60/92/508786092.db2.gz MHXNIKNIZXSJBL-CYBMUJFWSA-N 1 0 373.409 2.811 20 5 FFBDRO CC[C@@H]([NH2+]C[C@@]1(N2CCOCC2)CCSC1)c1cccc([N+](=O)[O-])c1 ZINC000154464104 508790064 /nfs/dbraw/zinc/79/00/64/508790064.db2.gz WOLBPFXDGGIZSV-MSOLQXFVSA-N 1 0 365.499 2.843 20 5 FFBDRO COc1cc(C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000159233909 508811277 /nfs/dbraw/zinc/81/12/77/508811277.db2.gz DCFHWZOJYMIACX-MRXNPFEDSA-N 1 0 357.410 2.506 20 5 FFBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000119701523 508846704 /nfs/dbraw/zinc/84/67/04/508846704.db2.gz OBVFGPVNMNDHLX-UGSOOPFHSA-N 1 0 357.385 2.984 20 5 FFBDRO Cc1nccn1CCC[N@@H+](C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000130854013 508856438 /nfs/dbraw/zinc/85/64/38/508856438.db2.gz KTCAFIFHZBTVIR-UHFFFAOYSA-N 1 0 359.430 2.759 20 5 FFBDRO CC[C@H]1CN(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)CC[N@@H+]1C[C@@H](C)O ZINC000119959357 508897828 /nfs/dbraw/zinc/89/78/28/508897828.db2.gz KWSVXHNLLKJAKJ-CABCVRRESA-N 1 0 364.446 2.521 20 5 FFBDRO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C2 ZINC000131389888 508924929 /nfs/dbraw/zinc/92/49/29/508924929.db2.gz NSHCXTSNLVRQLG-QWHCGFSZSA-N 1 0 357.332 2.922 20 5 FFBDRO O=C(CN1CC[C@@H]2OCCC[C@@H]2C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000155449575 509003654 /nfs/dbraw/zinc/00/36/54/509003654.db2.gz SDOWGENASWGSCC-ABAIWWIYSA-N 1 0 353.806 2.688 20 5 FFBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000120657883 509040005 /nfs/dbraw/zinc/04/00/05/509040005.db2.gz FSVCBBZGPPYXPH-KRWDZBQOSA-N 1 0 360.458 2.701 20 5 FFBDRO CN(CC[NH+]1CCCC1)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000120735869 509055002 /nfs/dbraw/zinc/05/50/02/509055002.db2.gz HTGZMCZHYVFFBP-UHFFFAOYSA-N 1 0 356.220 2.525 20 5 FFBDRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000120734179 509054553 /nfs/dbraw/zinc/05/45/53/509054553.db2.gz WIABWWZCEXOVNE-CQSZACIVSA-N 1 0 358.442 2.753 20 5 FFBDRO C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(C)(C)C[NH+](C)C ZINC000126084943 509061537 /nfs/dbraw/zinc/06/15/37/509061537.db2.gz NBCPLLRWNPMNMZ-SNVBAGLBSA-N 1 0 363.867 2.503 20 5 FFBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)CC1CCOCC1 ZINC000155729737 509060379 /nfs/dbraw/zinc/06/03/79/509060379.db2.gz OQVWQTWUOAVYNA-NSHDSACASA-N 1 0 355.822 2.934 20 5 FFBDRO O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000371497891 512434883 /nfs/dbraw/zinc/43/48/83/512434883.db2.gz SDODSVYUOXLPGD-LBPRGKRZSA-N 1 0 355.341 2.507 20 5 FFBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CC[NH+](CC2CC2)CC1 ZINC000120887557 509083231 /nfs/dbraw/zinc/08/32/31/509083231.db2.gz NOKSYZTXTLOCTF-UHFFFAOYSA-N 1 0 360.458 2.655 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000155867496 509085090 /nfs/dbraw/zinc/08/50/90/509085090.db2.gz XWQXMEVHTWVJTG-AWEZNQCLSA-N 1 0 354.410 2.701 20 5 FFBDRO CC(C)C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCCc2cccnc21 ZINC000126854063 509138460 /nfs/dbraw/zinc/13/84/60/509138460.db2.gz WAMBOEGQVRLGSA-QZTJIDSGSA-N 1 0 373.457 2.583 20 5 FFBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000156197335 509143310 /nfs/dbraw/zinc/14/33/10/509143310.db2.gz NLLUOUYLPCAUPZ-AWEZNQCLSA-N 1 0 357.414 2.780 20 5 FFBDRO C[NH+](C)C[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000121216317 509151438 /nfs/dbraw/zinc/15/14/38/509151438.db2.gz NWKCMQDJSASHQE-GFCCVEGCSA-N 1 0 370.247 2.914 20 5 FFBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000266773665 509187008 /nfs/dbraw/zinc/18/70/08/509187008.db2.gz XWOBZLIRZYKKOG-HZPDHXFCSA-N 1 0 360.458 2.730 20 5 FFBDRO Cc1cc(C(=O)NCC2([NH+]3CCCCC3)CCN(C)CC2)cc([N+](=O)[O-])c1 ZINC000172749117 509210705 /nfs/dbraw/zinc/21/07/05/509210705.db2.gz PTXCCJZNLCTUJR-UHFFFAOYSA-N 1 0 374.485 2.583 20 5 FFBDRO C[N@@H+]1CC[C@H](NC(=O)COc2cccc([N+](=O)[O-])c2)[C@H]1c1ccccc1 ZINC000248055183 509226438 /nfs/dbraw/zinc/22/64/38/509226438.db2.gz OHISILKNUUWCOI-PKOBYXMFSA-N 1 0 355.394 2.535 20 5 FFBDRO O=C(Cc1cccc([N+](=O)[O-])c1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000172789242 509237624 /nfs/dbraw/zinc/23/76/24/509237624.db2.gz ZFNXGOSZQIDALQ-UHFFFAOYSA-N 1 0 367.449 2.961 20 5 FFBDRO C[N@@H+]1CCC[C@H]2CN(Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)CC[C@H]21 ZINC000248163836 509251050 /nfs/dbraw/zinc/25/10/50/509251050.db2.gz SPPLINHUNNJSBU-GOEBONIOSA-N 1 0 357.414 2.561 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)[C@H](C)C1 ZINC000191987337 509280304 /nfs/dbraw/zinc/28/03/04/509280304.db2.gz LYCWYXDUBRLMPV-CABCVRRESA-N 1 0 369.487 2.562 20 5 FFBDRO CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)C1 ZINC000191997437 509284807 /nfs/dbraw/zinc/28/48/07/509284807.db2.gz UIFLYHOZTWBYKA-HNNXBMFYSA-N 1 0 369.487 2.564 20 5 FFBDRO [NH3+]C1(CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCCCCC1 ZINC000162896932 509316045 /nfs/dbraw/zinc/31/60/45/509316045.db2.gz FOVVAJZLYFZCQY-UHFFFAOYSA-N 1 0 361.851 2.578 20 5 FFBDRO Cc1c(Br)cc(C(=O)NCC(C)(C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000163070927 509336580 /nfs/dbraw/zinc/33/65/80/509336580.db2.gz QVTBYPZJDDFEDZ-UHFFFAOYSA-N 1 0 358.236 2.736 20 5 FFBDRO CC[N@H+](CCNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000182626318 509340614 /nfs/dbraw/zinc/34/06/14/509340614.db2.gz HKIVKCOWIUHWCP-UHFFFAOYSA-N 1 0 357.863 2.941 20 5 FFBDRO C[C@@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185766473 509346289 /nfs/dbraw/zinc/34/62/89/509346289.db2.gz QYARXUCIYQMNAB-CVEARBPZSA-N 1 0 374.485 2.800 20 5 FFBDRO C[C@H]([NH3+])[C@@H]1CN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)CCO1 ZINC000163199558 509351234 /nfs/dbraw/zinc/35/12/34/509351234.db2.gz HVRNCIYNJBOCGI-UGSOOPFHSA-N 1 0 370.409 2.527 20 5 FFBDRO C[NH+](C)CCCC1CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000163946368 509444955 /nfs/dbraw/zinc/44/49/55/509444955.db2.gz LALHRPSYVGHIJD-UHFFFAOYSA-N 1 0 362.474 2.901 20 5 FFBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC[C@@H]2CCC[NH2+]C2)CC1 ZINC000236666623 509474427 /nfs/dbraw/zinc/47/44/27/509474427.db2.gz JLIGSGWWPQRJLT-OAHLLOKOSA-N 1 0 360.458 2.561 20 5 FFBDRO C[C@@H]1C[C@H](N(C)C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000267428320 509475887 /nfs/dbraw/zinc/47/58/87/509475887.db2.gz CCYFAPWRIXRXOA-ZYHUDNBSSA-N 1 0 370.247 2.912 20 5 FFBDRO CC(C)([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Cl)c(Cl)c1 ZINC000173279785 509499398 /nfs/dbraw/zinc/49/93/98/509499398.db2.gz JBELZKACJNNDFF-GFCCVEGCSA-N 1 0 373.240 2.984 20 5 FFBDRO CC[NH2+]CC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CC1 ZINC000236844700 509516665 /nfs/dbraw/zinc/51/66/65/509516665.db2.gz AOPAMSUEOVECNO-UHFFFAOYSA-N 1 0 360.458 2.657 20 5 FFBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000264439416 509527521 /nfs/dbraw/zinc/52/75/21/509527521.db2.gz DOQRKSJNZBHVAW-AWEZNQCLSA-N 1 0 362.386 2.512 20 5 FFBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000248907112 509538750 /nfs/dbraw/zinc/53/87/50/509538750.db2.gz UXUJMHVITOZJOA-XJKSGUPXSA-N 1 0 355.398 2.632 20 5 FFBDRO CC[NH2+]CCNC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000236993262 509548203 /nfs/dbraw/zinc/54/82/03/509548203.db2.gz SCOGLYYIIUQEIL-CYBMUJFWSA-N 1 0 357.414 2.502 20 5 FFBDRO CC[NH2+]CC1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000237038444 509556936 /nfs/dbraw/zinc/55/69/36/509556936.db2.gz LIVNQTKEMDYVCL-UHFFFAOYSA-N 1 0 370.247 2.819 20 5 FFBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCC[C@@H](C[NH3+])C3)cc2[N+](=O)[O-])C1 ZINC000237477207 509656869 /nfs/dbraw/zinc/65/68/69/509656869.db2.gz GTQQACXGEXVSOP-OAGGEKHMSA-N 1 0 374.485 2.888 20 5 FFBDRO C[C@@H](C[NH3+])N(C)C(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000237477318 509657289 /nfs/dbraw/zinc/65/72/89/509657289.db2.gz MIKSXLKVZVWINJ-QMMMGPOBSA-N 1 0 372.212 2.507 20 5 FFBDRO C[C@@H]([NH2+][C@H](C)C1CCOCC1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000179876173 509658165 /nfs/dbraw/zinc/65/81/65/509658165.db2.gz JADWNRQBGMZULB-GHMZBOCLSA-N 1 0 355.822 2.980 20 5 FFBDRO Cc1csc(Sc2ccc(C(=O)N3CC[C@H]([NH3+])C3)cc2[N+](=O)[O-])n1 ZINC000237648777 509701034 /nfs/dbraw/zinc/70/10/34/509701034.db2.gz SFNLTYWPAOOKLB-NSHDSACASA-N 1 0 364.452 2.684 20 5 FFBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CC[NH2+][C@@H](C)C3)cc2[N+](=O)[O-])C1 ZINC000237691397 509711999 /nfs/dbraw/zinc/71/19/99/509711999.db2.gz HSAWKOLICYTIHA-ZNMIVQPWSA-N 1 0 360.458 2.511 20 5 FFBDRO C[C@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCC(C[NH3+])CC3)cc2[N+](=O)[O-])C1 ZINC000237712548 509716745 /nfs/dbraw/zinc/71/67/45/509716745.db2.gz DRUADCSWASZBIK-GJZGRUSLSA-N 1 0 374.485 2.888 20 5 FFBDRO C[C@@H](NC(=O)CNc1ccccc1[N+](=O)[O-])[C@H](c1ccccc1)[NH+](C)C ZINC000186494312 509737619 /nfs/dbraw/zinc/73/76/19/509737619.db2.gz UFFCAEVQXLPFME-AUUYWEPGSA-N 1 0 356.426 2.814 20 5 FFBDRO C[NH+](C)C1(CNC(=O)c2ccc(F)cc2[N+](=O)[O-])Cc2ccccc2C1 ZINC000268093945 509752603 /nfs/dbraw/zinc/75/26/03/509752603.db2.gz BRLLBFSVFHTHRF-UHFFFAOYSA-N 1 0 357.385 2.563 20 5 FFBDRO C[N@@H+]1CC[C@@H](NC(=O)COc2ccccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000180139818 509773122 /nfs/dbraw/zinc/77/31/22/509773122.db2.gz AXLFVZDXEIDHHF-BEFAXECRSA-N 1 0 355.394 2.535 20 5 FFBDRO COc1ccc([C@@H]2CC[N@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000249903474 509778728 /nfs/dbraw/zinc/77/87/28/509778728.db2.gz UFZISRMOIQPULF-SJLPKXTDSA-N 1 0 372.421 2.833 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCc2ccccc2[C@H]1CO ZINC000268148579 509782167 /nfs/dbraw/zinc/78/21/67/509782167.db2.gz RCDNBDRGJCQDNL-LJQANCHMSA-N 1 0 369.421 2.824 20 5 FFBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000238021909 509801670 /nfs/dbraw/zinc/80/16/70/509801670.db2.gz PAYZCYIZRNFZMS-IBGZPJMESA-N 1 0 353.422 2.748 20 5 FFBDRO O=C(Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000238045578 509808904 /nfs/dbraw/zinc/80/89/04/509808904.db2.gz IDGSTMGFUYDWRK-UHFFFAOYSA-N 1 0 369.377 2.756 20 5 FFBDRO COc1cc(C[N@H+](C)C[C@@H]2CCOC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000180241963 509829133 /nfs/dbraw/zinc/82/91/33/509829133.db2.gz RFOLQGDYBHZUEL-NSHDSACASA-N 1 0 360.357 2.716 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000186691410 509855535 /nfs/dbraw/zinc/85/55/35/509855535.db2.gz GPQZKRDPGASXKE-ZDUSSCGKSA-N 1 0 364.446 2.521 20 5 FFBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)[N@@H+]1CCC[C@H](C)C1 ZINC000252735504 509859705 /nfs/dbraw/zinc/85/97/05/509859705.db2.gz MYSUNKDAEPTKJL-UONOGXRCSA-N 1 0 356.426 2.993 20 5 FFBDRO Cn1cc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(C(C)(C)C)n1 ZINC000180345060 509878130 /nfs/dbraw/zinc/87/81/30/509878130.db2.gz HJLHQSCJPGMCRJ-AWEZNQCLSA-N 1 0 358.446 2.707 20 5 FFBDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000183612776 509886039 /nfs/dbraw/zinc/88/60/39/509886039.db2.gz NSYCZAVNLOVAQV-ZDUSSCGKSA-N 1 0 370.413 2.732 20 5 FFBDRO CC(C)CN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000265150603 509891067 /nfs/dbraw/zinc/89/10/67/509891067.db2.gz YQIKJZOTYWEDIB-UHFFFAOYSA-N 1 0 364.402 2.695 20 5 FFBDRO CC(=O)Nc1cccc(NC(=O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000180434311 509925052 /nfs/dbraw/zinc/92/50/52/509925052.db2.gz LYRLDJQUHFZYOK-GFCCVEGCSA-N 1 0 356.382 2.843 20 5 FFBDRO O=C(CNc1ccccc1[N+](=O)[O-])NC1CC[NH+](C2CCCCC2)CC1 ZINC000177249888 509960283 /nfs/dbraw/zinc/96/02/83/509960283.db2.gz DNFMIZAGPIQOSV-UHFFFAOYSA-N 1 0 360.458 2.920 20 5 FFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)C[C@@H]1CCCOC1 ZINC000174142373 509967493 /nfs/dbraw/zinc/96/74/93/509967493.db2.gz YZLQZYWBUYMXHB-NEPJUHHUSA-N 1 0 355.822 2.934 20 5 FFBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+](C)C[C@@H]1CCCOC1 ZINC000174150276 509970601 /nfs/dbraw/zinc/97/06/01/509970601.db2.gz APCCRGCVCAKUSD-RYUDHWBXSA-N 1 0 355.822 2.934 20 5 FFBDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000177290269 509980713 /nfs/dbraw/zinc/98/07/13/509980713.db2.gz SCUYMGZERTZINW-NSHDSACASA-N 1 0 370.247 2.771 20 5 FFBDRO CN(C)c1cc[nH+]cc1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000183813981 509987956 /nfs/dbraw/zinc/98/79/56/509987956.db2.gz WDENWKDUERNMEV-UHFFFAOYSA-N 1 0 370.409 2.739 20 5 FFBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000265443712 510056932 /nfs/dbraw/zinc/05/69/32/510056932.db2.gz AGUFLYAOXWNGMB-STQMWFEESA-N 1 0 368.865 2.849 20 5 FFBDRO Cc1cnc(C(C)(C)[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])s1 ZINC000183984164 510071645 /nfs/dbraw/zinc/07/16/45/510071645.db2.gz HJUFLDWDKPFODA-LBPRGKRZSA-N 1 0 351.428 2.624 20 5 FFBDRO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)Nc1ccncc1[N+](=O)[O-] ZINC000193874821 510109991 /nfs/dbraw/zinc/10/99/91/510109991.db2.gz NVGZTFVBZWGRBW-HNNXBMFYSA-N 1 0 355.398 2.633 20 5 FFBDRO C[C@H]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)[C@H](C[NH3+])C1 ZINC000261930543 510119261 /nfs/dbraw/zinc/11/92/61/510119261.db2.gz ZXVMZFHHNGVOMU-WPRPVWTQSA-N 1 0 374.210 2.696 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC(C[NH+]2CCCC2)CC1 ZINC000171388708 510124857 /nfs/dbraw/zinc/12/48/57/510124857.db2.gz VWXUJYAWNDIWQS-UHFFFAOYSA-N 1 0 360.458 2.650 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000193950069 510144426 /nfs/dbraw/zinc/14/44/26/510144426.db2.gz MSHPELFAEIYRAC-UHFFFAOYSA-N 1 0 372.425 2.664 20 5 FFBDRO C[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(-c2ccncc2)cc1 ZINC000180931331 510190026 /nfs/dbraw/zinc/19/00/26/510190026.db2.gz MWLUGXPJWGEDMK-KUHUBIRLSA-N 1 0 367.409 2.565 20 5 FFBDRO [NH3+][C@@H]1CN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C[C@H]1c1ccccc1 ZINC000262259716 510223329 /nfs/dbraw/zinc/22/33/29/510223329.db2.gz QZYDJJNUBXTXCZ-DLBZAZTESA-N 1 0 366.421 2.736 20 5 FFBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2c2ncc([N+](=O)[O-])cc2Br)C1 ZINC000269091042 510231244 /nfs/dbraw/zinc/23/12/44/510231244.db2.gz LAHYQIPGLPIXIU-MFKMUULPSA-N 1 0 355.236 2.673 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+](Cc2ccccc2)Cc2ccccc2)c1 ZINC000174665643 510238784 /nfs/dbraw/zinc/23/87/84/510238784.db2.gz LUGFSWQKMLQTJF-FQEVSTJZSA-N 1 0 366.421 2.855 20 5 FFBDRO CC(C)[N@@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000265820445 510246992 /nfs/dbraw/zinc/24/69/92/510246992.db2.gz RBWGMDVTKONANO-UHFFFAOYSA-N 1 0 370.247 2.914 20 5 FFBDRO C[C@H](Nc1ccc(C(=O)NC2CC[NH2+]CC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000262498819 510301247 /nfs/dbraw/zinc/30/12/47/510301247.db2.gz FSLCXRLRAMYJAL-ZDUSSCGKSA-N 1 0 369.425 2.645 20 5 FFBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NCC[C@H]3CC[NH2+]C3)cc2[N+](=O)[O-])C1 ZINC000262580782 510324590 /nfs/dbraw/zinc/32/45/90/510324590.db2.gz OMXKPTJAUMGPGX-BZUAXINKSA-N 1 0 374.485 2.807 20 5 FFBDRO CC[C@H]([NH2+]C1CCN(S(=O)(=O)C2CC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000181274661 510332510 /nfs/dbraw/zinc/33/25/10/510332510.db2.gz UQUJOOYIFNSPMO-KRWDZBQOSA-N 1 0 367.471 2.592 20 5 FFBDRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000181284332 510338590 /nfs/dbraw/zinc/33/85/90/510338590.db2.gz FRGCPOPAQUYIFF-OAHLLOKOSA-N 1 0 356.426 2.915 20 5 FFBDRO CC(C)[NH+]1CCC(N2CCN(c3cccc(F)c3[N+](=O)[O-])CC2)CC1 ZINC000269327529 510343707 /nfs/dbraw/zinc/34/37/07/510343707.db2.gz LIDVPHHWIJRZCR-UHFFFAOYSA-N 1 0 350.438 2.729 20 5 FFBDRO Cc1ccc(C(=O)N2CCN(C3CC[NH+](C(C)C)CC3)CC2)cc1[N+](=O)[O-] ZINC000269377999 510371992 /nfs/dbraw/zinc/37/19/92/510371992.db2.gz ODYZAEYRUILZDH-UHFFFAOYSA-N 1 0 374.485 2.534 20 5 FFBDRO CC(C)c1n[nH]c(C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000269405255 510388717 /nfs/dbraw/zinc/38/87/17/510388717.db2.gz UKOAQEPVBOICOK-UHFFFAOYSA-N 1 0 371.441 2.789 20 5 FFBDRO CCO[C@H]1C[C@@]([NH3+])(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000187712984 510398513 /nfs/dbraw/zinc/39/85/13/510398513.db2.gz QOYVNZFTYXAJQO-QFBILLFUSA-N 1 0 363.458 2.566 20 5 FFBDRO CCS(=O)(=O)N(C)CCCNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000181454196 510417918 /nfs/dbraw/zinc/41/79/18/510417918.db2.gz KSRWXZWUTXQNSL-UHFFFAOYSA-N 1 0 366.443 2.535 20 5 FFBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000269496523 510434995 /nfs/dbraw/zinc/43/49/95/510434995.db2.gz KISFEUAFEIVELK-FUHWJXTLSA-N 1 0 372.469 2.796 20 5 FFBDRO CC(C)c1n[nH]c(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)c1[N+](=O)[O-] ZINC000269500632 510438548 /nfs/dbraw/zinc/43/85/48/510438548.db2.gz YZTLCVYGVGQVKS-UHFFFAOYSA-N 1 0 363.393 2.572 20 5 FFBDRO C[C@@H]([NH2+]CCN(C)S(=O)(=O)c1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000181500715 510440753 /nfs/dbraw/zinc/44/07/53/510440753.db2.gz FENDZHJCGAVQLZ-GFCCVEGCSA-N 1 0 369.468 2.628 20 5 FFBDRO COc1cc(C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)cc([N+](=O)[O-])c1OC ZINC000266168454 510443511 /nfs/dbraw/zinc/44/35/11/510443511.db2.gz QERWCIHNWHUXKG-CQSZACIVSA-N 1 0 365.430 2.558 20 5 FFBDRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000178151348 510460556 /nfs/dbraw/zinc/46/05/56/510460556.db2.gz DYFGMLTWNBOUCD-UHFFFAOYSA-N 1 0 356.426 2.949 20 5 FFBDRO Nc1c(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)cccc1[N+](=O)[O-] ZINC000178182578 510476056 /nfs/dbraw/zinc/47/60/56/510476056.db2.gz TZNYCQBMMVUFQH-UHFFFAOYSA-N 1 0 374.466 2.881 20 5 FFBDRO C[NH+]1CCC(Nc2ccccc2NC(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000178187627 510477385 /nfs/dbraw/zinc/47/73/85/510477385.db2.gz ZURPGELDCDCXTA-UHFFFAOYSA-N 1 0 369.425 2.935 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CCC(C[NH+]2CCOCC2)CC1 ZINC000175100618 510483171 /nfs/dbraw/zinc/48/31/71/510483171.db2.gz POGKZJIMTNRESN-UHFFFAOYSA-N 1 0 363.458 2.538 20 5 FFBDRO C[N@H+](CCCO)C1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000175125654 510494372 /nfs/dbraw/zinc/49/43/72/510494372.db2.gz GHFJFBRPSCZLOU-UHFFFAOYSA-N 1 0 361.364 2.897 20 5 FFBDRO CCCCCC(=O)NC1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000269651705 510500535 /nfs/dbraw/zinc/50/05/35/510500535.db2.gz MNUWNWPTFKXXCK-GOSISDBHSA-N 1 0 363.458 2.789 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC2(CC1)[C@H](O)C[C@H]2OCC ZINC000175259574 510558364 /nfs/dbraw/zinc/55/83/64/510558364.db2.gz BDQULKIKQKMPGX-QZTJIDSGSA-N 1 0 364.442 2.745 20 5 FFBDRO CCOC(=O)c1ccnc(NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000246598967 510576627 /nfs/dbraw/zinc/57/66/27/510576627.db2.gz ABURXHSMVUAFAU-CHWSQXEVSA-N 1 0 350.419 2.699 20 5 FFBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)cc1[N+](=O)[O-] ZINC000181808844 510604946 /nfs/dbraw/zinc/60/49/46/510604946.db2.gz BKMRJZMWGMARPF-QILLFSRXSA-N 1 0 361.442 2.724 20 5 FFBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000181847629 510624564 /nfs/dbraw/zinc/62/45/64/510624564.db2.gz AIKDKQZNPGVTLY-LBPRGKRZSA-N 1 0 357.863 2.941 20 5 FFBDRO CCN(CCC[NH+](CC)CC)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000188246702 510667325 /nfs/dbraw/zinc/66/73/25/510667325.db2.gz IWIOXPREHKQTGK-UHFFFAOYSA-N 1 0 357.476 2.646 20 5 FFBDRO O=C(NCCC[NH+]1CCC(O)CC1)c1cc2ccccc2c2cccnc12 ZINC000172344729 510681310 /nfs/dbraw/zinc/68/13/10/510681310.db2.gz OQAGLQOLESKNBH-UHFFFAOYSA-N 1 0 363.461 2.965 20 5 FFBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000185112044 510691585 /nfs/dbraw/zinc/69/15/85/510691585.db2.gz OSQSDJQGZCXWQD-JQIJEIRASA-N 1 0 373.453 2.569 20 5 FFBDRO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000188311637 510702463 /nfs/dbraw/zinc/70/24/63/510702463.db2.gz SUDRXUPINUVOMU-UHFFFAOYSA-N 1 0 372.425 2.680 20 5 FFBDRO CCc1ccc(C(=O)NC2CC[NH+](Cc3cccnc3)CC2)cc1[N+](=O)[O-] ZINC000175674988 510726272 /nfs/dbraw/zinc/72/62/72/510726272.db2.gz WABSQBIRHHDPNO-UHFFFAOYSA-N 1 0 368.437 2.947 20 5 FFBDRO C[C@@H](Nc1ccc(C(=O)NC[C@@H]2CCC[NH2+]2)cc1[N+](=O)[O-])c1ccccn1 ZINC000178721060 510736942 /nfs/dbraw/zinc/73/69/42/510736942.db2.gz OJLRRZVAESOPFQ-HIFRSBDPSA-N 1 0 369.425 2.645 20 5 FFBDRO Cc1ccc(C[C@H](CO)[NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000191587661 510738582 /nfs/dbraw/zinc/73/85/82/510738582.db2.gz JAIAXLDSJMFWRX-MAUKXSAKSA-N 1 0 371.437 2.814 20 5 FFBDRO O=C(CC[N@@H+]1CCC[C@H](c2cc[nH]n2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000185194466 510740721 /nfs/dbraw/zinc/74/07/21/510740721.db2.gz RVNSPJURMKDTEG-LBPRGKRZSA-N 1 0 361.377 2.665 20 5 FFBDRO C[NH+](C)[C@H](CNC(=O)CSc1ccc([N+](=O)[O-])cn1)c1ccccc1 ZINC000178766881 510761421 /nfs/dbraw/zinc/76/14/21/510761421.db2.gz HDOIUMNULVWJNU-OAHLLOKOSA-N 1 0 360.439 2.501 20 5 FFBDRO NC(=O)NC1CC[NH+](Cc2cc(=O)oc3ccc4ccccc4c23)CC1 ZINC000175755081 510772953 /nfs/dbraw/zinc/77/29/53/510772953.db2.gz ANOKDXCIKMPOIZ-UHFFFAOYSA-N 1 0 351.406 2.579 20 5 FFBDRO CCSc1ccc([C@H](C)[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000182136706 510775575 /nfs/dbraw/zinc/77/55/75/510775575.db2.gz JJUBGLNZXDQLBJ-WFASDCNBSA-N 1 0 350.444 2.615 20 5 FFBDRO CC[N@H+](CCNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C1CC1 ZINC000263779984 510837918 /nfs/dbraw/zinc/83/79/18/510837918.db2.gz VHPARLQKVGODDP-UHFFFAOYSA-N 1 0 363.461 2.755 20 5 FFBDRO COCCC[N@H+](C)CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000172669559 510840794 /nfs/dbraw/zinc/84/07/94/510840794.db2.gz FJIYKMHIINMOMK-UHFFFAOYSA-N 1 0 351.428 2.508 20 5 FFBDRO CCOc1cc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000247554932 510865470 /nfs/dbraw/zinc/86/54/70/510865470.db2.gz ZCGNFKRNIRLLIY-STQMWFEESA-N 1 0 365.430 2.557 20 5 FFBDRO COc1cc(C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000297282371 510885484 /nfs/dbraw/zinc/88/54/84/510885484.db2.gz UFHKKTQLGPNIME-JKSUJKDBSA-N 1 0 373.384 2.700 20 5 FFBDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)c3ccc([N+](=O)[O-])c4cccnc34)C2)C1 ZINC000293918370 510899048 /nfs/dbraw/zinc/89/90/48/510899048.db2.gz IHERPCIZHLPBGO-IBGZPJMESA-N 1 0 354.410 2.701 20 5 FFBDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)C2)C1 ZINC000293922481 510900640 /nfs/dbraw/zinc/90/06/40/510900640.db2.gz POCGHXFDJZYLCX-OAHLLOKOSA-N 1 0 357.332 2.781 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](C)[C@H]([NH3+])[C@@H]2C)cc1SC ZINC000297323472 510902695 /nfs/dbraw/zinc/90/26/95/510902695.db2.gz GYQOGAVKNRZDGZ-YHAQOWFVSA-N 1 0 353.444 2.523 20 5 FFBDRO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCCC2(CC[NH2+]CC2)C1 ZINC000364565350 510943001 /nfs/dbraw/zinc/94/30/01/510943001.db2.gz ZDWIAOFOWSSRCH-UHFFFAOYSA-N 1 0 372.469 2.801 20 5 FFBDRO C[S@](=O)C1(C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000282391779 510958211 /nfs/dbraw/zinc/95/82/11/510958211.db2.gz PAJHCBBEJACLJJ-QHCPKHFHSA-N 1 0 351.453 2.719 20 5 FFBDRO CCC[C@@H]([NH2+]CC1(OCCO)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000282483073 510996349 /nfs/dbraw/zinc/99/63/49/510996349.db2.gz HFZDFLFMJKWEEA-QGZVFWFLSA-N 1 0 352.431 2.584 20 5 FFBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)cc1 ZINC000286515346 511027554 /nfs/dbraw/zinc/02/75/54/511027554.db2.gz NACHZEYTDQXRCR-WFASDCNBSA-N 1 0 362.348 2.856 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(OC)c(F)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000297711934 511043131 /nfs/dbraw/zinc/04/31/31/511043131.db2.gz NCQZDGJOIKIUTH-SMDDNHRTSA-N 1 0 353.394 2.545 20 5 FFBDRO C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000364725633 511045042 /nfs/dbraw/zinc/04/50/42/511045042.db2.gz ZXXYXNBCELMKJM-KSSFIOAISA-N 1 0 366.893 2.706 20 5 FFBDRO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000364725632 511045151 /nfs/dbraw/zinc/04/51/51/511045151.db2.gz ZXXYXNBCELMKJM-KDOFPFPSSA-N 1 0 366.893 2.706 20 5 FFBDRO COc1ccc(C[N@@H+]2CCCN(C(=O)CCC(C)(C)[N+](=O)[O-])CC2)cc1 ZINC000294417303 511058471 /nfs/dbraw/zinc/05/84/71/511058471.db2.gz LNHBPKUYGZTQCJ-UHFFFAOYSA-N 1 0 363.458 2.565 20 5 FFBDRO O=C1CC2(CN1)CC[NH+](Cc1ccc(-c3ccccc3[N+](=O)[O-])o1)CC2 ZINC000271168657 511106271 /nfs/dbraw/zinc/10/62/71/511106271.db2.gz GSCYATIZZCTXQG-UHFFFAOYSA-N 1 0 355.394 2.957 20 5 FFBDRO CCS(=O)(=O)c1ccc(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000294616339 511122142 /nfs/dbraw/zinc/12/21/42/511122142.db2.gz DZUOQUFDJZGPHT-GFCCVEGCSA-N 1 0 363.439 2.821 20 5 FFBDRO CC1CC[NH+](CCc2cccc(NC(=O)c3nn(C)cc3[N+](=O)[O-])c2)CC1 ZINC000271225846 511127781 /nfs/dbraw/zinc/12/77/81/511127781.db2.gz AQNQDMXNHOFSTJ-UHFFFAOYSA-N 1 0 371.441 2.855 20 5 FFBDRO CN(C)CC[N@H+](C)CCCN(C)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000298055907 511159760 /nfs/dbraw/zinc/15/97/60/511159760.db2.gz JJLNBYSFBHDSQS-UHFFFAOYSA-N 1 0 371.869 2.595 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000298217805 511212162 /nfs/dbraw/zinc/21/21/62/511212162.db2.gz FNJLPXRANABAPH-DZGCQCFKSA-N 1 0 355.341 2.519 20 5 FFBDRO COc1cc(C(=O)N2CCC(CC[NH+](C)C)CC2)c([N+](=O)[O-])cc1F ZINC000294914059 511220537 /nfs/dbraw/zinc/22/05/37/511220537.db2.gz JIXXEWZYXPUCLI-UHFFFAOYSA-N 1 0 353.394 2.546 20 5 FFBDRO COc1cc(C[NH2+]CCCCCO)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000279846885 511239357 /nfs/dbraw/zinc/23/93/57/511239357.db2.gz DDMUEUCPICJETN-UHFFFAOYSA-N 1 0 366.336 2.797 20 5 FFBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000295005709 511250561 /nfs/dbraw/zinc/25/05/61/511250561.db2.gz CHSMFQCSWYMNAH-LBPRGKRZSA-N 1 0 357.838 2.643 20 5 FFBDRO Cc1cc(Cl)c(C(=O)NCC2(O)CC[NH+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000295070350 511271082 /nfs/dbraw/zinc/27/10/82/511271082.db2.gz VYBZMDVMTIQUTQ-UHFFFAOYSA-N 1 0 369.849 2.522 20 5 FFBDRO O=C(NC[C@H]1CCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1)C(F)(F)F ZINC000291633617 511275816 /nfs/dbraw/zinc/27/58/16/511275816.db2.gz SPYMBJBMXGZFFJ-WXJAXGNASA-N 1 0 371.359 2.999 20 5 FFBDRO COc1cccc(C2([NH2+]CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)CC2)c1 ZINC000271705184 511293078 /nfs/dbraw/zinc/29/30/78/511293078.db2.gz MLBDMZMNPLDXDF-UHFFFAOYSA-N 1 0 367.405 2.771 20 5 FFBDRO CCOc1cc(C[N@@H+]2CC[C@H]3[C@@H](CCC(=O)N3C3CC3)C2)ccc1[N+](=O)[O-] ZINC000365188056 511306594 /nfs/dbraw/zinc/30/65/94/511306594.db2.gz AOCIXCQLRWCVAW-RDJZCZTQSA-N 1 0 373.453 2.969 20 5 FFBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccccc1OC(F)F ZINC000271769459 511317344 /nfs/dbraw/zinc/31/73/44/511317344.db2.gz NPEQXAMRTUIYAR-NSHDSACASA-N 1 0 353.325 2.709 20 5 FFBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cc(-c4ccc([N+](=O)[O-])cc4)n[nH]3)CC[C@H]21 ZINC000295429920 511402373 /nfs/dbraw/zinc/40/23/73/511402373.db2.gz MKPKVBNNMBXCLC-KBXCAEBGSA-N 1 0 369.425 2.541 20 5 FFBDRO COc1ccc(CNC(=O)NCc2cccc(C[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000298912288 511450443 /nfs/dbraw/zinc/45/04/43/511450443.db2.gz DOEXVGBJBIFEFL-UHFFFAOYSA-N 1 0 372.425 2.664 20 5 FFBDRO Cc1n[nH]c(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c1[N+](=O)[O-] ZINC000283694337 511464986 /nfs/dbraw/zinc/46/49/86/511464986.db2.gz XJXRRODGHYKCPF-OAHLLOKOSA-N 1 0 371.441 2.657 20 5 FFBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272213872 511466536 /nfs/dbraw/zinc/46/65/36/511466536.db2.gz SBIVYJHQWKETQH-LBPRGKRZSA-N 1 0 355.385 2.875 20 5 FFBDRO COc1ccc(C[NH+]2CCC(CNC(=O)c3ccc([N+](=O)[O-])[nH]3)CC2)cc1 ZINC000299297091 511583013 /nfs/dbraw/zinc/58/30/13/511583013.db2.gz KQJHILCIPGSMJZ-UHFFFAOYSA-N 1 0 372.425 2.574 20 5 FFBDRO C[NH+]1CCN(c2ccnc(-c3noc(-c4ccc([N+](=O)[O-])s4)n3)c2)CC1 ZINC000273799555 511611974 /nfs/dbraw/zinc/61/19/74/511611974.db2.gz IUJIPBWWXPYZAS-UHFFFAOYSA-N 1 0 372.410 2.520 20 5 FFBDRO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@H+](CCc4ccccn4)CC3)nc2c1 ZINC000299379059 511614359 /nfs/dbraw/zinc/61/43/59/511614359.db2.gz QSBQXAAXOKYDKP-UHFFFAOYSA-N 1 0 366.425 2.621 20 5 FFBDRO CS[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000284206040 511641225 /nfs/dbraw/zinc/64/12/25/511641225.db2.gz SRNMCESMTRYXOK-JKSUJKDBSA-N 1 0 366.443 2.515 20 5 FFBDRO CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC000284296504 511672008 /nfs/dbraw/zinc/67/20/08/511672008.db2.gz GKOUFWSHTQGGFL-UHFFFAOYSA-N 1 0 356.430 2.548 20 5 FFBDRO CC[C@@H]([NH2+]CC1(OCCOC)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000296288626 511686362 /nfs/dbraw/zinc/68/63/62/511686362.db2.gz FILMWPOIIVQOOE-QGZVFWFLSA-N 1 0 352.431 2.848 20 5 FFBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)C[C@H]21 ZINC000363682863 511702540 /nfs/dbraw/zinc/70/25/40/511702540.db2.gz XTOSKZHBBXKXTJ-NWANDNLSSA-N 1 0 372.450 2.918 20 5 FFBDRO C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365882263 511708425 /nfs/dbraw/zinc/70/84/25/511708425.db2.gz RLSBTAWICSVFBX-FMKPAKJESA-N 1 0 363.462 2.512 20 5 FFBDRO O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000363698097 511710757 /nfs/dbraw/zinc/71/07/57/511710757.db2.gz ZXBDPJLEKLMPLZ-KRWDZBQOSA-N 1 0 372.469 2.895 20 5 FFBDRO CN(CC[N@H+](C)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccccc1 ZINC000303329886 511735361 /nfs/dbraw/zinc/73/53/61/511735361.db2.gz BMBOLIAZOHTVJG-LJQANCHMSA-N 1 0 368.437 2.768 20 5 FFBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000292827608 511736399 /nfs/dbraw/zinc/73/63/99/511736399.db2.gz OMWXSLMWFSDOLI-CYBMUJFWSA-N 1 0 373.375 2.768 20 5 FFBDRO CC1(C)[C@H]([NH2+]CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])[C@H]2CCO[C@H]21 ZINC000296489513 511764777 /nfs/dbraw/zinc/76/47/77/511764777.db2.gz YTAMZCBXMWCUBY-VCTAVGKDSA-N 1 0 353.806 2.590 20 5 FFBDRO CNc1c(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000312486250 511784381 /nfs/dbraw/zinc/78/43/81/511784381.db2.gz JJYZMJKFCKGZDB-INIZCTEOSA-N 1 0 368.437 2.983 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CCCO[C@H](C(C)C)C1 ZINC000293184518 511873189 /nfs/dbraw/zinc/87/31/89/511873189.db2.gz PVSMCQGOIMXBLZ-DYVFJYSZSA-N 1 0 365.430 2.677 20 5 FFBDRO COc1cc(NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)c([N+](=O)[O-])cc1C ZINC000327690744 511880399 /nfs/dbraw/zinc/88/03/99/511880399.db2.gz JIODGCVBNTXDEI-KRWDZBQOSA-N 1 0 350.463 2.596 20 5 FFBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000363999553 511897681 /nfs/dbraw/zinc/89/76/81/511897681.db2.gz ZGXKSRKCXJMQOT-GFCCVEGCSA-N 1 0 355.797 2.627 20 5 FFBDRO C[N@H+]1CC=C(CNC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000274646492 511899174 /nfs/dbraw/zinc/89/91/74/511899174.db2.gz MDQRCOKIPPWULW-UHFFFAOYSA-N 1 0 358.320 2.997 20 5 FFBDRO CCOc1ccc([C@@H](C)[NH2+]CCCCCS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000274770176 511936964 /nfs/dbraw/zinc/93/69/64/511936964.db2.gz HEGYBBVGGMWMSJ-CYBMUJFWSA-N 1 0 358.460 2.859 20 5 FFBDRO C[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)cn1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284985852 511957560 /nfs/dbraw/zinc/95/75/60/511957560.db2.gz GHDVTXUSDOLILN-CJNGLKHVSA-N 1 0 370.457 2.885 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000281880855 511999116 /nfs/dbraw/zinc/99/91/16/511999116.db2.gz GFDHKYZXBQTVLU-STQMWFEESA-N 1 0 350.419 2.940 20 5 FFBDRO Cc1cc(N2CCC(Cn3cncn3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000275024770 512019210 /nfs/dbraw/zinc/01/92/10/512019210.db2.gz MXRNJKVDHQEDNO-UHFFFAOYSA-N 1 0 352.398 2.960 20 5 FFBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NCC2CC[NH2+]CC2)CC1 ZINC000297134273 512032436 /nfs/dbraw/zinc/03/24/36/512032436.db2.gz HRFUIDSASPFJNN-UHFFFAOYSA-N 1 0 360.458 2.561 20 5 FFBDRO C[C@H]1CN(C(=O)CCOc2ccccc2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000293708137 512057644 /nfs/dbraw/zinc/05/76/44/512057644.db2.gz NZVHJNVARJKCFR-OAHLLOKOSA-N 1 0 361.442 2.697 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](c3ccc(F)cc3)[C@H]([NH3+])C2)c1 ZINC000297209040 512062265 /nfs/dbraw/zinc/06/22/65/512062265.db2.gz NHYFIGMFINGKRC-NVXWUHKLSA-N 1 0 373.384 2.700 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1CN1CCC[C@H](c2n[nH]cc2NC(C)=O)C1 ZINC000366605893 512101197 /nfs/dbraw/zinc/10/11/97/512101197.db2.gz DTLYXLFDOQBFTQ-AWEZNQCLSA-N 1 0 373.413 2.665 20 5 FFBDRO C[NH+]1CCC2(CCCN2C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000367354597 512459345 /nfs/dbraw/zinc/45/93/45/512459345.db2.gz XQQSHLASRPQVSA-UHFFFAOYSA-N 1 0 370.409 2.549 20 5 FFBDRO CC[C@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369691614 512556773 /nfs/dbraw/zinc/55/67/73/512556773.db2.gz IZISJFVZNAVVHD-CABCVRRESA-N 1 0 363.462 2.608 20 5 FFBDRO O=C(c1cc2ccccc2c2cccnc12)N1CCN([C@H]2CCOC2)CC1 ZINC000378111540 512595577 /nfs/dbraw/zinc/59/55/77/512595577.db2.gz DYTRXPWCQBKNOX-KRWDZBQOSA-N 1 0 361.445 2.935 20 5 FFBDRO C[C@@H]1C[C@]2(CCO1)CN(Cc1nc3cc([N+](=O)[O-])ccc3o1)C[C@@H](C)O2 ZINC000374018068 512624836 /nfs/dbraw/zinc/62/48/36/512624836.db2.gz MVMLEZMKXPQCDR-SNUQEOBHSA-N 1 0 361.398 2.894 20 5 FFBDRO Cc1cc(OCC(=O)N2CCC(C[NH+]3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000374049471 512641156 /nfs/dbraw/zinc/64/11/56/512641156.db2.gz HMVNGIDPRZVORJ-UHFFFAOYSA-N 1 0 361.442 2.616 20 5 FFBDRO CC[C@@H]([NH2+]CCC(=O)Nc1ccc(C(N)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000411476764 512654314 /nfs/dbraw/zinc/65/43/14/512654314.db2.gz QHCSJBVBLMNZJO-QGZVFWFLSA-N 1 0 370.409 2.763 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)c1F ZINC000411606230 512714832 /nfs/dbraw/zinc/71/48/32/512714832.db2.gz QPIDEKGZICAASE-QWHCGFSZSA-N 1 0 367.421 2.522 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(CC(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)c1F ZINC000411695300 512764035 /nfs/dbraw/zinc/76/40/35/512764035.db2.gz OYJCIJQRLSRZBP-CYBMUJFWSA-N 1 0 367.421 2.522 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000374413942 512821487 /nfs/dbraw/zinc/82/14/87/512821487.db2.gz YMQQJDMQQFEOQI-VNQPRFMTSA-N 1 0 367.833 2.572 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000374423169 512826200 /nfs/dbraw/zinc/82/62/00/512826200.db2.gz VFKLPNBCIIMKJM-UKPHBRMFSA-N 1 0 353.850 2.932 20 5 FFBDRO COc1ccc(NC(=O)CC[NH+]2CCC(c3cn[nH]c3)CC2)c([N+](=O)[O-])c1 ZINC000376485658 512839294 /nfs/dbraw/zinc/83/92/94/512839294.db2.gz RPQGNYRCOPPBDN-UHFFFAOYSA-N 1 0 373.413 2.535 20 5 FFBDRO CO[C@H]1c2ccccc2C[C@H]1[NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411898353 512866783 /nfs/dbraw/zinc/86/67/83/512866783.db2.gz YTXSMEJBVGKXQK-RZAIGCCYSA-N 1 0 355.394 2.824 20 5 FFBDRO C[C@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000376636961 512912227 /nfs/dbraw/zinc/91/22/27/512912227.db2.gz NCJFKCGVOAYZBC-YOEHRIQHSA-N 1 0 366.893 2.706 20 5 FFBDRO COc1ccc(OCC[N@@H+]2CCC[C@@H]2c2cn(C)nc2C)c([N+](=O)[O-])c1 ZINC000370405504 512915361 /nfs/dbraw/zinc/91/53/61/512915361.db2.gz JSZJRKRKDMCSJX-MRXNPFEDSA-N 1 0 360.414 2.861 20 5 FFBDRO COC(=O)[C@]1(C)CCC[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000412059483 512936575 /nfs/dbraw/zinc/93/65/75/512936575.db2.gz CMANAABZGOXUGT-GOSISDBHSA-N 1 0 363.414 2.507 20 5 FFBDRO COc1cc(C[N@@H+]2CCC[C@H](CO)[C@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000412074664 512945166 /nfs/dbraw/zinc/94/51/66/512945166.db2.gz IOZDLDAEMQODJV-VXGBXAGGSA-N 1 0 374.384 2.840 20 5 FFBDRO Cn1cc(C[NH2+]Cc2cnc3n2CCCC3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000376716833 512955394 /nfs/dbraw/zinc/95/53/94/512955394.db2.gz OZANMBKEACOWSB-UHFFFAOYSA-N 1 0 366.425 2.818 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H](CC[NH3+])c2ccccc21 ZINC000368509774 512981818 /nfs/dbraw/zinc/98/18/18/512981818.db2.gz DGCUNUGSLVWOII-CYBMUJFWSA-N 1 0 361.423 2.545 20 5 FFBDRO O=C(CCN1CCC[C@@H]([NH+]2CCCC2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000368622643 513030448 /nfs/dbraw/zinc/03/04/48/513030448.db2.gz NQIBPUAHYONZIX-OAHLLOKOSA-N 1 0 364.421 2.623 20 5 FFBDRO NC(=O)c1ccccc1N1CC[C@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000370829497 513115079 /nfs/dbraw/zinc/11/50/79/513115079.db2.gz HACJVYJLZCKFKM-YERXGYGTSA-N 1 0 366.421 2.575 20 5 FFBDRO COc1cc[nH+]c(N2CCN(c3nccc4cc([N+](=O)[O-])ccc43)CC2)c1 ZINC000450312790 513137720 /nfs/dbraw/zinc/13/77/20/513137720.db2.gz IXKKXJPECJGWAK-UHFFFAOYSA-N 1 0 365.393 2.873 20 5 FFBDRO CO[C@@H]1C[C@H]([NH2+][C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1(C)C ZINC000439625661 513153091 /nfs/dbraw/zinc/15/30/91/513153091.db2.gz SFSJMYQFPPUVRU-BIGNPOOSSA-N 1 0 355.822 2.978 20 5 FFBDRO CO[C@@H]1C[C@@H]([NH2+][C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1(C)C ZINC000439625663 513154400 /nfs/dbraw/zinc/15/44/00/513154400.db2.gz SFSJMYQFPPUVRU-OWYVNGRQSA-N 1 0 355.822 2.978 20 5 FFBDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000439693477 513165497 /nfs/dbraw/zinc/16/54/97/513165497.db2.gz SUACFPDALWBNGS-ZDUSSCGKSA-N 1 0 351.451 2.682 20 5 FFBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)NCCCCc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000417714921 513177693 /nfs/dbraw/zinc/17/76/93/513177693.db2.gz IAEAVUGWACLVKA-RYQLBKOJSA-N 1 0 360.458 2.686 20 5 FFBDRO C[C@H]1CN(c2nccc3c2cccc3[N+](=O)[O-])CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000450411862 513183121 /nfs/dbraw/zinc/18/31/21/513183121.db2.gz OGXLDJGAZZZFAD-YJBOKZPZSA-N 1 0 369.469 2.605 20 5 FFBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000417759454 513197866 /nfs/dbraw/zinc/19/78/66/513197866.db2.gz DRRUQFKYSOIGOR-SJORKVTESA-N 1 0 360.458 2.701 20 5 FFBDRO O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000433957458 513198942 /nfs/dbraw/zinc/19/89/42/513198942.db2.gz AVCVCZUFTGMHLM-GOSISDBHSA-N 1 0 358.442 2.679 20 5 FFBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000450487109 513216640 /nfs/dbraw/zinc/21/66/40/513216640.db2.gz UGYFAKVEBWKTGP-AWEZNQCLSA-N 1 0 371.441 2.583 20 5 FFBDRO C[C@H]([NH3+])C1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000428904959 513218584 /nfs/dbraw/zinc/21/85/84/513218584.db2.gz IYMXGQYFURKQRX-VIFPVBQESA-N 1 0 356.220 2.557 20 5 FFBDRO C[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CCC[NH2+]C1 ZINC000428975737 513237440 /nfs/dbraw/zinc/23/74/40/513237440.db2.gz HEUCBFIMLBEHDW-DGCLKSJQSA-N 1 0 360.439 2.836 20 5 FFBDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000429007863 513250251 /nfs/dbraw/zinc/25/02/51/513250251.db2.gz WLHRVSOBMCJBBC-VKJFTORMSA-N 1 0 360.458 2.586 20 5 FFBDRO CN(C(=O)c1ccc([N+](=O)[O-])n1C)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000434185023 513257025 /nfs/dbraw/zinc/25/70/25/513257025.db2.gz WNKSFWXGANWVIO-UHFFFAOYSA-N 1 0 372.425 2.685 20 5 FFBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000417939170 513292509 /nfs/dbraw/zinc/29/25/09/513292509.db2.gz KFSWXBAQFJOKLJ-SJLPKXTDSA-N 1 0 360.458 2.701 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000440414283 513315611 /nfs/dbraw/zinc/31/56/11/513315611.db2.gz JPYYVKNERAQJBL-ZDUSSCGKSA-N 1 0 363.439 2.710 20 5 FFBDRO C[C@H](c1csnn1)N1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000450733897 513319056 /nfs/dbraw/zinc/31/90/56/513319056.db2.gz AVBGYLOQBBFJAQ-LLVKDONJSA-N 1 0 373.442 2.596 20 5 FFBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000417995086 513322301 /nfs/dbraw/zinc/32/23/01/513322301.db2.gz RIZBMDRDJBZLFG-RISCZKNCSA-N 1 0 354.838 2.702 20 5 FFBDRO O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000434445805 513324861 /nfs/dbraw/zinc/32/48/61/513324861.db2.gz QELGHFFAGWEHSW-MRXNPFEDSA-N 1 0 358.442 2.916 20 5 FFBDRO CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000429299651 513332952 /nfs/dbraw/zinc/33/29/52/513332952.db2.gz ZUHKKCWGIYBDEZ-DLBZAZTESA-N 1 0 361.442 2.667 20 5 FFBDRO CCOc1ccc(OCC[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000440497877 513335676 /nfs/dbraw/zinc/33/56/76/513335676.db2.gz WHLOURURHVPGEX-OAHLLOKOSA-N 1 0 372.425 2.954 20 5 FFBDRO CC(=O)N1CCC[N@H+](C[C@H]2CCCN(c3ccc([N+](=O)[O-])c(C)c3)C2)CC1 ZINC000450777151 513336270 /nfs/dbraw/zinc/33/62/70/513336270.db2.gz RWHNXASQKBLYOJ-GOSISDBHSA-N 1 0 374.485 2.674 20 5 FFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CCOCCOc3ccccc3)C2)nc1 ZINC000440505134 513337424 /nfs/dbraw/zinc/33/74/24/513337424.db2.gz YFWCFIPMPYGCQO-MRXNPFEDSA-N 1 0 372.425 2.572 20 5 FFBDRO CCC1(CC)[C@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@H](C)[C@H]1OC ZINC000429318989 513338268 /nfs/dbraw/zinc/33/82/68/513338268.db2.gz PSEIYUOMBSTKGF-LBTBCDHLSA-N 1 0 366.458 2.764 20 5 FFBDRO CCC1(CC)[C@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1OC ZINC000429320993 513339421 /nfs/dbraw/zinc/33/94/21/513339421.db2.gz ZCXOHCZFCZOICT-OIISXLGYSA-N 1 0 352.431 2.518 20 5 FFBDRO COC(=O)c1cc(NC(=O)N[C@](C)(C[NH3+])CC(C)C)c(C)c([N+](=O)[O-])c1 ZINC000415594335 513340983 /nfs/dbraw/zinc/34/09/83/513340983.db2.gz GEDVMDSVLIRUJN-KRWDZBQOSA-N 1 0 366.418 2.575 20 5 FFBDRO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000415636743 513357992 /nfs/dbraw/zinc/35/79/92/513357992.db2.gz YKRRHPJEUSYVAJ-OAHLLOKOSA-N 1 0 350.394 2.976 20 5 FFBDRO Cc1cc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000450832795 513359891 /nfs/dbraw/zinc/35/98/91/513359891.db2.gz WVCKJFDMXCPNBO-ZXFUBFMLSA-N 1 0 353.426 2.819 20 5 FFBDRO CC[NH2+]CC1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OCC)CC1 ZINC000415652516 513363849 /nfs/dbraw/zinc/36/38/49/513363849.db2.gz HLDJLYQNMUQDFO-UHFFFAOYSA-N 1 0 350.419 2.847 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000429396310 513365489 /nfs/dbraw/zinc/36/54/89/513365489.db2.gz FNXSSBVNQBSATL-CQSZACIVSA-N 1 0 360.458 2.648 20 5 FFBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(CC[NH+](C)C)C1CCCCC1 ZINC000429403922 513368331 /nfs/dbraw/zinc/36/83/31/513368331.db2.gz GHPBZCWCNCRCCD-UHFFFAOYSA-N 1 0 369.487 2.788 20 5 FFBDRO CC1(CNC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC[NH2+]CC1 ZINC000418091992 513368866 /nfs/dbraw/zinc/36/88/66/513368866.db2.gz QOVXPEDYBBLODB-UHFFFAOYSA-N 1 0 374.363 2.803 20 5 FFBDRO C[C@@]1(CNC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CCC[NH2+]C1 ZINC000418096382 513369712 /nfs/dbraw/zinc/36/97/12/513369712.db2.gz XAAOGEBTJNASRH-OAHLLOKOSA-N 1 0 374.363 2.803 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000450864451 513373424 /nfs/dbraw/zinc/37/34/24/513373424.db2.gz QZKSDYJZGKSZCO-VHSSKADRSA-N 1 0 359.426 2.779 20 5 FFBDRO O=C(NCC[C@@H]1CCC[NH2+]C1)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415689237 513382274 /nfs/dbraw/zinc/38/22/74/513382274.db2.gz CWTGXISTQGGRBY-JTQLQIEISA-N 1 0 371.235 2.869 20 5 FFBDRO CCOc1cc(C(=O)NCc2ccc([C@@H](C)[NH3+])cc2)c([N+](=O)[O-])cc1OC ZINC000429510380 513396421 /nfs/dbraw/zinc/39/64/21/513396421.db2.gz SKLIADSTIGJHSM-GFCCVEGCSA-N 1 0 373.409 2.952 20 5 FFBDRO C[NH2+]C[C@H]1CCCN1C(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000429516430 513396945 /nfs/dbraw/zinc/39/69/45/513396945.db2.gz OZZYJHFXCSTGEX-GDBMZVCRSA-N 1 0 360.458 2.655 20 5 FFBDRO Cc1cc(N2CCC[C@H](NC(=O)N(C)C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000450921208 513406248 /nfs/dbraw/zinc/40/62/48/513406248.db2.gz FMLAJMGAWIEKNY-ZDUSSCGKSA-N 1 0 357.414 2.691 20 5 FFBDRO C[NH2+]Cc1ccccc1NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000415916322 513476609 /nfs/dbraw/zinc/47/66/09/513476609.db2.gz BHMFGPKYAUIRKL-UHFFFAOYSA-N 1 0 356.382 2.609 20 5 FFBDRO CC(C)(C(=O)N1CCN(Cc2ccco2)CC1)c1ccccc1[N+](=O)[O-] ZINC000429839730 513478326 /nfs/dbraw/zinc/47/83/26/513478326.db2.gz MMTUFPHJXMSYGY-UHFFFAOYSA-N 1 0 357.410 2.810 20 5 FFBDRO CC[NH+](CC)CCO[C@H]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000435023562 513490626 /nfs/dbraw/zinc/49/06/26/513490626.db2.gz LNMWUYHFQUVPHD-HNNXBMFYSA-N 1 0 362.430 2.669 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N[C@@H]3CC[NH2+][C@H](C)C3)cc2[N+](=O)[O-])C1 ZINC000447510817 513493686 /nfs/dbraw/zinc/49/36/86/513493686.db2.gz JMTBDWXCPVPQHS-IIAWOOMASA-N 1 0 360.458 2.701 20 5 FFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]Cc2cccc(-n3cncn3)c2)n1 ZINC000447541135 513502004 /nfs/dbraw/zinc/50/20/04/513502004.db2.gz LOONWPNDXSHWMC-IRXDYDNUSA-N 1 0 367.413 2.646 20 5 FFBDRO Cn1nccc1N1CCC[C@@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000447567337 513510429 /nfs/dbraw/zinc/51/04/29/513510429.db2.gz ASNTVDAMYPUQKC-CRAIPNDOSA-N 1 0 355.442 2.964 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCC[C@@H]([C@H]4CCOC4)C3)o2)cc1 ZINC000441205329 513513411 /nfs/dbraw/zinc/51/34/11/513513411.db2.gz OGZIFMWTPNFVLU-CABCVRRESA-N 1 0 358.398 2.893 20 5 FFBDRO C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447587456 513515200 /nfs/dbraw/zinc/51/52/00/513515200.db2.gz QKFJCBYUGWLNJE-MCIONIFRSA-N 1 0 352.435 2.985 20 5 FFBDRO Cc1cc(N2CCC([NH2+][C@@H]3CCCC[C@H]3n3ccc([N+](=O)[O-])n3)CC2)n[nH]1 ZINC000447598017 513518168 /nfs/dbraw/zinc/51/81/68/513518168.db2.gz GOOOZRYDHFFWNH-HZPDHXFCSA-N 1 0 373.461 2.565 20 5 FFBDRO CO[C@H](CC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)C(F)(F)F ZINC000447597168 513519138 /nfs/dbraw/zinc/51/91/38/513519138.db2.gz FONNARSXUSUWBP-QJPTWQEYSA-N 1 0 350.341 2.832 20 5 FFBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])c3ncccc23)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000413211159 513524505 /nfs/dbraw/zinc/52/45/05/513524505.db2.gz HMEPURXIFSMFOW-NVXWUHKLSA-N 1 0 369.469 2.605 20 5 FFBDRO C[C@@H](c1cccc(C(F)(F)F)c1)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000441276562 513526915 /nfs/dbraw/zinc/52/69/15/513526915.db2.gz KLSHLTGQLWKRBZ-XHDPSFHLSA-N 1 0 372.347 2.864 20 5 FFBDRO C[NH+](C)CCOCCNc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] ZINC000447668177 513536056 /nfs/dbraw/zinc/53/60/56/513536056.db2.gz GJLIDJGNOXAUEH-UHFFFAOYSA-N 1 0 372.294 2.634 20 5 FFBDRO C[C@H]1CCCN(c2ccc(C(=O)N(C3CC3)[C@H]3CC[NH2+]C3)cc2[N+](=O)[O-])C1 ZINC000435237412 513540465 /nfs/dbraw/zinc/54/04/65/513540465.db2.gz XTFPNUKVWBERBP-YOEHRIQHSA-N 1 0 372.469 2.798 20 5 FFBDRO O=[N+]([O-])c1ccn(CC[NH2+]C2(c3ccc(OC(F)(F)F)cc3)CC2)n1 ZINC000451146384 513551707 /nfs/dbraw/zinc/55/17/07/513551707.db2.gz LJDSIBDUXPGRPL-UHFFFAOYSA-N 1 0 356.304 2.969 20 5 FFBDRO C[C@H]1CCNC(=O)[C@@H]1[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000441365296 513552322 /nfs/dbraw/zinc/55/23/22/513552322.db2.gz AKKLMHZZMGGCGN-IFXJQAMLSA-N 1 0 368.437 2.977 20 5 FFBDRO C[C@@]1(CNC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CCC[NH2+]C1 ZINC000418553133 513553855 /nfs/dbraw/zinc/55/38/55/513553855.db2.gz VBNMWPFOLUSCLK-QFBILLFUSA-N 1 0 360.458 2.874 20 5 FFBDRO O=C1CC[C@H]([NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])[C@H](C2CC2)N1 ZINC000425447805 513570937 /nfs/dbraw/zinc/57/09/37/513570937.db2.gz SXDUTAZZOXLMLC-WFASDCNBSA-N 1 0 368.231 2.504 20 5 FFBDRO C[NH2+][C@H]1CCN(Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1 ZINC000435390841 513573525 /nfs/dbraw/zinc/57/35/25/513573525.db2.gz QMFLEDZVMUFIBG-KRWDZBQOSA-N 1 0 371.437 2.976 20 5 FFBDRO CCC[NH+]1CCC(Nc2cc(CN3CCOCC3)ccc2[N+](=O)[O-])CC1 ZINC000447804064 513575956 /nfs/dbraw/zinc/57/59/56/513575956.db2.gz VZZHINOVDFNPJF-UHFFFAOYSA-N 1 0 362.474 2.713 20 5 FFBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000418626921 513581141 /nfs/dbraw/zinc/58/11/41/513581141.db2.gz ADNKAHDKTVBPRF-IBGZPJMESA-N 1 0 368.437 2.666 20 5 FFBDRO COC[C@H]([NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000425468245 513582805 /nfs/dbraw/zinc/58/28/05/513582805.db2.gz CFQHHQWUZLIEQQ-JSGCOSHPSA-N 1 0 359.220 2.641 20 5 FFBDRO CC(C)(C)OC(=O)CC[C@@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000425477456 513587687 /nfs/dbraw/zinc/58/76/87/513587687.db2.gz OCTMZXSUWYWSFP-AWEZNQCLSA-N 1 0 352.435 2.768 20 5 FFBDRO CN(C(=O)[C@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1)c1ccccc1 ZINC000430298354 513615693 /nfs/dbraw/zinc/61/56/93/513615693.db2.gz GSHXGFFGRMRXQA-INIZCTEOSA-N 1 0 369.421 2.959 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000430395215 513643770 /nfs/dbraw/zinc/64/37/70/513643770.db2.gz QNAYXDSEWQVMHU-TZMCWYRMSA-N 1 0 369.849 2.958 20 5 FFBDRO Cc1cc(NC(=O)Cc2ccccc2[N+](=O)[O-])n(C2CC[NH+](C)CC2)n1 ZINC000430430102 513652333 /nfs/dbraw/zinc/65/23/33/513652333.db2.gz KKWHCTTYWGQYMH-UHFFFAOYSA-N 1 0 357.414 2.548 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(C)nn2C2CC[NH+](C)CC2)c1 ZINC000430479588 513663627 /nfs/dbraw/zinc/66/36/27/513663627.db2.gz WPLGNKCASYOTDT-UHFFFAOYSA-N 1 0 373.413 2.627 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)[C@@H]1CCC[NH2+]CC1 ZINC000435749654 513676358 /nfs/dbraw/zinc/67/63/58/513676358.db2.gz KVSHWOBZXSNUPD-WCQYABFASA-N 1 0 355.822 2.616 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000451342296 513687925 /nfs/dbraw/zinc/68/79/25/513687925.db2.gz MKJQLUNJDGLUNP-NXHRZFHOSA-N 1 0 361.442 2.857 20 5 FFBDRO CN(C(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)C1CC[NH+](C)CC1 ZINC000435831076 513692865 /nfs/dbraw/zinc/69/28/65/513692865.db2.gz MMTOBWKPGGYYFL-UHFFFAOYSA-N 1 0 367.424 2.987 20 5 FFBDRO C[C@H]1CCCN(c2ccc(C(=O)NCC3([NH+](C)C)CC3)cc2[N+](=O)[O-])C1 ZINC000416288847 513693431 /nfs/dbraw/zinc/69/34/31/513693431.db2.gz ICRGYEAKLXGFLR-AWEZNQCLSA-N 1 0 360.458 2.655 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)cn1 ZINC000448178344 513700261 /nfs/dbraw/zinc/70/02/61/513700261.db2.gz JVYGWFWBUJLPJV-MRXNPFEDSA-N 1 0 369.425 2.691 20 5 FFBDRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000419007411 513714848 /nfs/dbraw/zinc/71/48/48/513714848.db2.gz RMTYSHRCJLIIKA-HUUCEWRRSA-N 1 0 356.426 2.548 20 5 FFBDRO COc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCC[NH+](C)C ZINC000416337847 513718744 /nfs/dbraw/zinc/71/87/44/513718744.db2.gz BNOHJWRPNAFMCW-UHFFFAOYSA-N 1 0 359.382 2.796 20 5 FFBDRO COc1cc(NC(=O)c2ccccc2[N+](=O)[O-])ccc1OCC[NH+](C)C ZINC000416343847 513723666 /nfs/dbraw/zinc/72/36/66/513723666.db2.gz UMFJHJDVNYKJRA-UHFFFAOYSA-N 1 0 359.382 2.796 20 5 FFBDRO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000430820415 513757046 /nfs/dbraw/zinc/75/70/46/513757046.db2.gz KAVDIKFNJZANDT-CVEARBPZSA-N 1 0 365.478 2.507 20 5 FFBDRO CC[C@H](C)[C@H]([NH3+])C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000442731572 513760621 /nfs/dbraw/zinc/76/06/21/513760621.db2.gz UVEUOEBMZUKONW-ZANVPECISA-N 1 0 362.352 2.515 20 5 FFBDRO Cc1c(NC(=O)[C@@H](C)NC2CC[NH+](C3CCC3)CC2)cccc1[N+](=O)[O-] ZINC000419296552 513766310 /nfs/dbraw/zinc/76/63/10/513766310.db2.gz RZQLQRRLYWJGJZ-CQSZACIVSA-N 1 0 360.458 2.837 20 5 FFBDRO CC1(C)[C@H]([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@H]2CCCO[C@H]21 ZINC000451479054 513776786 /nfs/dbraw/zinc/77/67/86/513776786.db2.gz LQWZMMAJFMIPTA-HFBAOOFYSA-N 1 0 367.833 2.980 20 5 FFBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H]2C[C@](C)(OC)C2(C)C)c([N+](=O)[O-])c1 ZINC000451484803 513779215 /nfs/dbraw/zinc/77/92/15/513779215.db2.gz HRPIUQAQLQYNEJ-QAPCUYQASA-N 1 0 365.430 2.725 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H]1C[C@@](C)(OC)C1(C)C ZINC000451496350 513788905 /nfs/dbraw/zinc/78/89/05/513788905.db2.gz UMHMIXNKTMLNJM-MAUKXSAKSA-N 1 0 365.430 2.725 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1N1CCC(CC[NH+]3CCOCC3)CC1)CCN2 ZINC000436316797 513825675 /nfs/dbraw/zinc/82/56/75/513825675.db2.gz ITOUAMGPFPVUPL-UHFFFAOYSA-N 1 0 360.458 2.502 20 5 FFBDRO CCO[C@@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C[C@@H]1C ZINC000451552580 513828955 /nfs/dbraw/zinc/82/89/55/513828955.db2.gz YWVCWUMXJCMTQA-XJKSGUPXSA-N 1 0 365.430 2.679 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](C(C)C)[C@H](CO)C(C)C ZINC000451595810 513856713 /nfs/dbraw/zinc/85/67/13/513856713.db2.gz KWGKPEXQNPDGLO-QAPCUYQASA-N 1 0 351.447 2.720 20 5 FFBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2c3ccccc3C[C@@H]2C[NH3+])cc1OC ZINC000422625952 513879938 /nfs/dbraw/zinc/87/99/38/513879938.db2.gz IJQGODBPMJOEHX-CYBMUJFWSA-N 1 0 371.393 2.532 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)C(C)(C)C[NH+]2CCCC2)cc1C ZINC000416656382 513891981 /nfs/dbraw/zinc/89/19/81/513891981.db2.gz CAWGZJXMYKGCEP-UHFFFAOYSA-N 1 0 369.487 2.707 20 5 FFBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448780391 513894734 /nfs/dbraw/zinc/89/47/34/513894734.db2.gz JTEABVRVSHWLKH-CABCVRRESA-N 1 0 371.441 2.631 20 5 FFBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448780392 513894857 /nfs/dbraw/zinc/89/48/57/513894857.db2.gz JTEABVRVSHWLKH-GJZGRUSLSA-N 1 0 371.441 2.631 20 5 FFBDRO COc1c[nH+]ccc1N1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000431428011 513896350 /nfs/dbraw/zinc/89/63/50/513896350.db2.gz BHJJTJQLTZKFIF-UHFFFAOYSA-N 1 0 371.397 2.661 20 5 FFBDRO CCC[C@H](O)[C@@H](CO)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000419809128 513937374 /nfs/dbraw/zinc/93/73/74/513937374.db2.gz GIUCLCWENBYEOX-ZBFHGGJFSA-N 1 0 350.440 2.935 20 5 FFBDRO COc1ccc(C[NH2+][C@H]2CCO[C@@H]2c2c(C)nn(C)c2C)cc1[N+](=O)[O-] ZINC000431658395 513959443 /nfs/dbraw/zinc/95/94/43/513959443.db2.gz AUOFNHLNSNGCNI-KSSFIOAISA-N 1 0 360.414 2.574 20 5 FFBDRO CCN1CC[NH+](C[C@H](C)CNc2ccc([N+](=O)[O-])cc2OC(F)F)CC1 ZINC000443444983 513972590 /nfs/dbraw/zinc/97/25/90/513972590.db2.gz QFGIGPSBYPUVAF-CYBMUJFWSA-N 1 0 372.416 2.882 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC(C)(C)CCC[NH+](C)C)c1C ZINC000451888206 514047759 /nfs/dbraw/zinc/04/77/59/514047759.db2.gz KSSWZKFUSVFWBG-UHFFFAOYSA-N 1 0 357.476 2.610 20 5 FFBDRO COc1ccc(C(=O)NCC[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000449085142 514066883 /nfs/dbraw/zinc/06/68/83/514066883.db2.gz KQMJWDPVTNVKDP-AWEZNQCLSA-N 1 0 357.410 2.554 20 5 FFBDRO [NH3+][C@H]1CCC[C@@H](CNc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)C1 ZINC000420288361 514073231 /nfs/dbraw/zinc/07/32/31/514073231.db2.gz SCWGGCNWOBWHFT-CVEARBPZSA-N 1 0 356.426 2.920 20 5 FFBDRO COc1cccc(N2C[C@H]([NH2+][C@H](C)Cc3ccccc3[N+](=O)[O-])CC2=O)c1 ZINC000449110257 514075428 /nfs/dbraw/zinc/07/54/28/514075428.db2.gz BRRWLFVNNSTCAO-GDBMZVCRSA-N 1 0 369.421 2.930 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2noc(CN3CCC([C@H]4CCC[NH2+]4)CC3)n2)c1 ZINC000420332153 514098384 /nfs/dbraw/zinc/09/83/84/514098384.db2.gz GEELFROVYLNZCI-MRXNPFEDSA-N 1 0 357.414 2.609 20 5 FFBDRO COc1cc(CN[C@H]2[C@@H](C)[NH2+]CC[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000420371955 514113355 /nfs/dbraw/zinc/11/33/55/514113355.db2.gz PXAZAWQHFDXZJY-FEUHOPSXSA-N 1 0 359.373 2.681 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2noc(CN3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)n2)cc1 ZINC000420390997 514126218 /nfs/dbraw/zinc/12/62/18/514126218.db2.gz IFMFNOSGOWPUJT-GDBMZVCRSA-N 1 0 357.414 2.609 20 5 FFBDRO COC(=O)[C@@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000452005156 514129160 /nfs/dbraw/zinc/12/91/60/514129160.db2.gz LQKWGCLBVUYQAA-DLBZAZTESA-N 1 0 370.405 2.862 20 5 FFBDRO Cc1cc(NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])ccc1C[NH+](C)C ZINC000414459144 514129867 /nfs/dbraw/zinc/12/98/67/514129867.db2.gz ADPHPSVVVWYQGE-UHFFFAOYSA-N 1 0 363.439 2.907 20 5 FFBDRO Cc1ccc(S(=O)(=O)N[C@@H](CCC[NH3+])c2ccccc2)c([N+](=O)[O-])c1 ZINC000420469962 514162026 /nfs/dbraw/zinc/16/20/26/514162026.db2.gz WKDICURWQYZMRY-HNNXBMFYSA-N 1 0 363.439 2.662 20 5 FFBDRO CC[C@H]1CN(c2c(C(N)=O)cccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000420612916 514199683 /nfs/dbraw/zinc/19/96/83/514199683.db2.gz QHDTXTZWMSTRBI-INIZCTEOSA-N 1 0 368.437 2.795 20 5 FFBDRO C[C@H](CCC[NH3+])NC(=O)c1cc(F)cc2c1[nH]c1ccc(F)cc1c2=O ZINC000423693704 514204425 /nfs/dbraw/zinc/20/44/25/514204425.db2.gz SLWXTWHWHHQQBO-SNVBAGLBSA-N 1 0 359.376 2.817 20 5 FFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC000444461225 514235474 /nfs/dbraw/zinc/23/54/74/514235474.db2.gz QHELONMRZJABPE-UHFFFAOYSA-N 1 0 370.409 2.507 20 5 FFBDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000427617119 514266279 /nfs/dbraw/zinc/26/62/79/514266279.db2.gz CXORUZKFABCJFD-KDOFPFPSSA-N 1 0 368.437 2.935 20 5 FFBDRO CCOc1cc(NC(=O)N2CCC[C@H]([NH2+]C)C2)c([N+](=O)[O-])cc1OCC ZINC000414751673 514274404 /nfs/dbraw/zinc/27/44/04/514274404.db2.gz AWLNRWPAAHVLTB-LBPRGKRZSA-N 1 0 366.418 2.608 20 5 FFBDRO CCOc1cc(NC(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)c([N+](=O)[O-])cc1OCC ZINC000414754156 514275425 /nfs/dbraw/zinc/27/54/25/514275425.db2.gz FTGJGYGSJPDWRH-NWDGAFQWSA-N 1 0 366.418 2.512 20 5 FFBDRO CCOc1cc(NC(=O)N2C[C@H](C[NH3+])C[C@@H]2C)c([N+](=O)[O-])cc1OCC ZINC000414756201 514277133 /nfs/dbraw/zinc/27/71/33/514277133.db2.gz IZKNBUNPMVZDAN-RYUDHWBXSA-N 1 0 366.418 2.593 20 5 FFBDRO CCOc1cc(NC(=O)N2CC[C@@](C)(C[NH3+])C2)c([N+](=O)[O-])cc1OCC ZINC000414756189 514277163 /nfs/dbraw/zinc/27/71/63/514277163.db2.gz IXWKIBOZJNXNQD-KRWDZBQOSA-N 1 0 366.418 2.595 20 5 FFBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437987923 514283721 /nfs/dbraw/zinc/28/37/21/514283721.db2.gz RMXSVURGFNEJAY-DYVFJYSZSA-N 1 0 358.442 2.752 20 5 FFBDRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000452342590 514293536 /nfs/dbraw/zinc/29/35/36/514293536.db2.gz IGHMVVRRMXEAFX-ZDUSSCGKSA-N 1 0 352.410 2.556 20 5 FFBDRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000452346626 514296999 /nfs/dbraw/zinc/29/69/99/514296999.db2.gz WDMQODUQPJFZCU-AWEZNQCLSA-N 1 0 363.414 2.564 20 5 FFBDRO [NH3+]CCC[C@@H](NC(=O)CCOc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000423963625 514310409 /nfs/dbraw/zinc/31/04/09/514310409.db2.gz GHHNGVMDZVSIIN-MRXNPFEDSA-N 1 0 357.410 2.960 20 5 FFBDRO C[NH+](C)C1CCC(NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000420827506 514322689 /nfs/dbraw/zinc/32/26/89/514322689.db2.gz RWEAVPASZWWXRH-UHFFFAOYSA-N 1 0 368.865 2.963 20 5 FFBDRO CCc1ccccc1[C@H]([NH3+])CNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000423988284 514323714 /nfs/dbraw/zinc/32/37/14/514323714.db2.gz XHLXCOXLDQCWKX-MRXNPFEDSA-N 1 0 356.426 2.775 20 5 FFBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000423992697 514326517 /nfs/dbraw/zinc/32/65/17/514326517.db2.gz GLUHFBRGSNZAOV-LJQANCHMSA-N 1 0 368.437 2.960 20 5 FFBDRO CCC[C@]1(CO)CCC[N@@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000444778506 514329698 /nfs/dbraw/zinc/32/96/98/514329698.db2.gz WBIPYBNMTJODEJ-GOSISDBHSA-N 1 0 363.414 2.520 20 5 FFBDRO C[C@@H]1C[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2Br)C[C@H]1C[NH3+] ZINC000424066763 514366145 /nfs/dbraw/zinc/36/61/45/514366145.db2.gz GDTLOPCNCYNXQT-GMTAPVOTSA-N 1 0 370.247 2.803 20 5 FFBDRO O=C(NCCCCC[NH+]1CCCC1)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000452492966 514380693 /nfs/dbraw/zinc/38/06/93/514380693.db2.gz VYRIFLJQGHOOHN-UHFFFAOYSA-N 1 0 371.441 2.981 20 5 FFBDRO COCC(=O)N1CCC([NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000433127400 514391872 /nfs/dbraw/zinc/39/18/72/514391872.db2.gz SJQFJNPPGSXVTR-QGZVFWFLSA-N 1 0 361.442 2.544 20 5 FFBDRO CS(=O)(=O)CCCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000424172088 514407026 /nfs/dbraw/zinc/40/70/26/514407026.db2.gz NHTUCMLJBUBPDX-UHFFFAOYSA-N 1 0 352.412 2.769 20 5 FFBDRO COc1cc(CN(C)C[C@H]2CCC[N@@H+]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000421002741 514432044 /nfs/dbraw/zinc/43/20/44/514432044.db2.gz MPZHKYJFKYRTKG-GFCCVEGCSA-N 1 0 359.373 2.731 20 5 FFBDRO [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000438888698 514460912 /nfs/dbraw/zinc/46/09/12/514460912.db2.gz WPZKDMASHUHVCH-SFHVURJKSA-N 1 0 364.405 2.531 20 5 FFBDRO CCCC[N@H+](C)CC1CCN(c2nc(C(=O)OC)ccc2[N+](=O)[O-])CC1 ZINC000439104815 514493837 /nfs/dbraw/zinc/49/38/37/514493837.db2.gz FQZIDWOUTGQTGR-UHFFFAOYSA-N 1 0 364.446 2.725 20 5 FFBDRO CCCN(CC[NH+](CC)CC)C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000461146959 514523650 /nfs/dbraw/zinc/52/36/50/514523650.db2.gz HFUHQRSYBNMFPR-UHFFFAOYSA-N 1 0 373.457 2.975 20 5 FFBDRO CC[NH+]1CCN(c2ccc(Nc3ncc([N+](=O)[O-])c(C)n3)c(C)c2)CC1 ZINC000450218718 514548851 /nfs/dbraw/zinc/54/88/51/514548851.db2.gz ZDUXHCSUHRXKKE-UHFFFAOYSA-N 1 0 356.430 2.887 20 5 FFBDRO CCCN(CCC[NH+](C)C)C(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000470673380 514569660 /nfs/dbraw/zinc/56/96/60/514569660.db2.gz FZHGBJDHCKRGGK-UHFFFAOYSA-N 1 0 374.441 2.712 20 5 FFBDRO C[C@H]1C[N@@H+](C2CCN(c3nccc4c3cccc4[N+](=O)[O-])CC2)CCO1 ZINC000450262627 514570813 /nfs/dbraw/zinc/57/08/13/514570813.db2.gz TXFAAPIBUHNOTE-AWEZNQCLSA-N 1 0 356.426 2.833 20 5 FFBDRO Cn1nccc1[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCO1 ZINC000453355875 514607785 /nfs/dbraw/zinc/60/77/85/514607785.db2.gz RHCRPVPYHGJRJR-ANQUJSFKSA-N 1 0 374.445 2.518 20 5 FFBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000479567305 514633548 /nfs/dbraw/zinc/63/35/48/514633548.db2.gz UWAMSVOZCSNKEZ-CQSZACIVSA-N 1 0 371.441 2.583 20 5 FFBDRO CC(C)C[C@@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)[NH2+][C@H](C)c1ccccc1 ZINC000497782185 514635987 /nfs/dbraw/zinc/63/59/87/514635987.db2.gz KAFIDULVHYOXIM-HIFRSBDPSA-N 1 0 359.430 2.813 20 5 FFBDRO C[N@@H+]1CCC[C@H](CCNC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000458222273 514640582 /nfs/dbraw/zinc/64/05/82/514640582.db2.gz QLNRQVCUHCXMCR-LLVKDONJSA-N 1 0 357.357 2.658 20 5 FFBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000458228501 514646692 /nfs/dbraw/zinc/64/66/92/514646692.db2.gz UUFNAKDONMNJMI-NSHDSACASA-N 1 0 370.247 2.819 20 5 FFBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000479624161 514660815 /nfs/dbraw/zinc/66/08/15/514660815.db2.gz QTTGTZNDKHWILD-CQSZACIVSA-N 1 0 371.441 2.583 20 5 FFBDRO COC[C@H](CO)[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000475492398 514687348 /nfs/dbraw/zinc/68/73/48/514687348.db2.gz KSSLLSIUJGFBRP-AWEZNQCLSA-N 1 0 350.346 2.623 20 5 FFBDRO Cc1cc(NCC[NH+]2CCC(C)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000489160727 514734762 /nfs/dbraw/zinc/73/47/62/514734762.db2.gz GYIYTBRPVRKHCU-UHFFFAOYSA-N 1 0 355.442 2.926 20 5 FFBDRO CCCC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000502713329 514750089 /nfs/dbraw/zinc/75/00/89/514750089.db2.gz WFPMSVSATRXKMV-OAHLLOKOSA-N 1 0 369.487 2.836 20 5 FFBDRO O=C(CC[NH+]1CC(COc2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000489416763 514839167 /nfs/dbraw/zinc/83/91/67/514839167.db2.gz ALJJPAWPEYZSNI-UHFFFAOYSA-N 1 0 355.394 2.934 20 5 FFBDRO O=C(CC[N@@H+]1CCc2ccccc2C1)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000471344162 514844555 /nfs/dbraw/zinc/84/45/55/514844555.db2.gz WGZQDJUOBZJNJD-UHFFFAOYSA-N 1 0 365.393 2.858 20 5 FFBDRO Cn1c(C(=O)N2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000471781896 515010325 /nfs/dbraw/zinc/01/03/25/515010325.db2.gz QOXUVSBIGYEWNZ-IAGOWNOFSA-N 1 0 370.453 2.746 20 5 FFBDRO CC[C@@H](CO)[NH+]1CCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC1 ZINC000485394862 515022995 /nfs/dbraw/zinc/02/29/95/515022995.db2.gz BBDHWCCUGIELPR-INIZCTEOSA-N 1 0 374.416 2.689 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000480754873 515070948 /nfs/dbraw/zinc/07/09/48/515070948.db2.gz LGSQDKLFICPHTC-UHFFFAOYSA-N 1 0 369.487 2.612 20 5 FFBDRO C[NH+](C)Cc1ccccc1CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000485543779 515083209 /nfs/dbraw/zinc/08/32/09/515083209.db2.gz CRCWDXFXHSTBHF-UHFFFAOYSA-N 1 0 363.364 2.794 20 5 FFBDRO C[C@H]1CN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC[N@H+](Cc2ccccc2)C1 ZINC000456332312 515100856 /nfs/dbraw/zinc/10/08/56/515100856.db2.gz KVARMUVWPGBEEP-OAHLLOKOSA-N 1 0 368.437 2.771 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCC(C)(C)[NH+]2CCCCC2)c1C ZINC000480929348 515140243 /nfs/dbraw/zinc/14/02/43/515140243.db2.gz AIBZJTZDHLCWDS-UHFFFAOYSA-N 1 0 369.487 2.754 20 5 FFBDRO C[C@@H](NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000467849782 515145900 /nfs/dbraw/zinc/14/59/00/515145900.db2.gz IRKZSXCAQWFDJD-UZLBHIALSA-N 1 0 355.438 2.882 20 5 FFBDRO Cc1ccc(C)c(S(=O)(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)c1[N+](=O)[O-] ZINC000481031679 515179343 /nfs/dbraw/zinc/17/93/43/515179343.db2.gz COEYAKGYRWSLRO-CQSZACIVSA-N 1 0 371.503 2.856 20 5 FFBDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000509528478 515219251 /nfs/dbraw/zinc/21/92/51/515219251.db2.gz QPFZAXDJFCVSPR-HNNXBMFYSA-N 1 0 356.430 2.510 20 5 FFBDRO CC[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H](COC)Cc1ccccc1 ZINC000472325695 515225757 /nfs/dbraw/zinc/22/57/57/515225757.db2.gz LFVDMJHCAFZGLY-GOSISDBHSA-N 1 0 371.437 2.773 20 5 FFBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000485903447 515249159 /nfs/dbraw/zinc/24/91/59/515249159.db2.gz DXTULWNTUKHQEW-NEPJUHHUSA-N 1 0 355.385 2.652 20 5 FFBDRO Cn1nc2c(c1C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)CCCC2 ZINC000462807086 515254081 /nfs/dbraw/zinc/25/40/81/515254081.db2.gz LNEZNXCIFUHOFK-HOTGVXAUSA-N 1 0 358.446 2.677 20 5 FFBDRO CCN(CCC[NH+](CC)CC)c1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000472443929 515272098 /nfs/dbraw/zinc/27/20/98/515272098.db2.gz MONOTBKNIZKUDO-UHFFFAOYSA-N 1 0 357.476 2.557 20 5 FFBDRO Cc1ccc(S(=O)(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000509793321 515326898 /nfs/dbraw/zinc/32/68/98/515326898.db2.gz HTXYOWCEJMTAPE-CQSZACIVSA-N 1 0 369.487 2.692 20 5 FFBDRO CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000456702540 515364968 /nfs/dbraw/zinc/36/49/68/515364968.db2.gz WEUVWEVOYYFGLB-UHFFFAOYSA-N 1 0 363.462 2.545 20 5 FFBDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000472777999 515394068 /nfs/dbraw/zinc/39/40/68/515394068.db2.gz MAVZVVRPTWFVJC-HNNXBMFYSA-N 1 0 364.446 2.868 20 5 FFBDRO CCOc1cc(N2CC[NH+](CC3(COC)CCC3)CC2)ccc1[N+](=O)[O-] ZINC000463217706 515400896 /nfs/dbraw/zinc/40/08/96/515400896.db2.gz FXVIYDBLKKACMN-UHFFFAOYSA-N 1 0 363.458 2.932 20 5 FFBDRO COc1ccccc1[C@@H]1CC[C@@H](C)C[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000510258613 515487624 /nfs/dbraw/zinc/48/76/24/515487624.db2.gz ZXOFNIBEKBOKLL-HFTRVMKXSA-N 1 0 374.441 2.634 20 5 FFBDRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000486509360 515516899 /nfs/dbraw/zinc/51/68/99/515516899.db2.gz BOWHFPKIHZAPPO-CYBMUJFWSA-N 1 0 367.396 2.606 20 5 FFBDRO COC(=O)CC1([NH2+]CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CCC1 ZINC000459387400 515517774 /nfs/dbraw/zinc/51/77/74/515517774.db2.gz JHNBPLQTHPWDAI-UHFFFAOYSA-N 1 0 359.382 2.868 20 5 FFBDRO CC[NH+](CC)CC1CCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000463584391 515552261 /nfs/dbraw/zinc/55/22/61/515552261.db2.gz WWXDZHCGRCZQPJ-UHFFFAOYSA-N 1 0 362.474 2.611 20 5 FFBDRO CN(CC(=O)N1CC[NH+](C2CCCCC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000482066065 515562493 /nfs/dbraw/zinc/56/24/93/515562493.db2.gz LJRQVGJXZWKZKB-UHFFFAOYSA-N 1 0 360.458 2.508 20 5 FFBDRO CCC[C@H]1CN(Cc2ccc([N+](=O)[O-])c(OC)c2)CC[N@@H+]1CCOC ZINC000492835971 515568319 /nfs/dbraw/zinc/56/83/19/515568319.db2.gz UJIMFDUCVUHQNR-INIZCTEOSA-N 1 0 351.447 2.536 20 5 FFBDRO COc1cc(C[N@@H+]2CCC[C@H](C)[C@H]2CO)c([N+](=O)[O-])cc1OCC(F)F ZINC000505569326 515588551 /nfs/dbraw/zinc/58/85/51/515588551.db2.gz UCMVHPLOLCDEDJ-SMDDNHRTSA-N 1 0 374.384 2.840 20 5 FFBDRO COC(=O)C[C@]1([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCOC1 ZINC000463706127 515589085 /nfs/dbraw/zinc/58/90/85/515589085.db2.gz NIDZQSGGQBGGDD-GOSISDBHSA-N 1 0 360.366 2.667 20 5 FFBDRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000454612309 515608426 /nfs/dbraw/zinc/60/84/26/515608426.db2.gz SBFFSROQUSZAHV-DOTOQJQBSA-N 1 0 372.469 2.968 20 5 FFBDRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000454612315 515609073 /nfs/dbraw/zinc/60/90/73/515609073.db2.gz SBFFSROQUSZAHV-RDJZCZTQSA-N 1 0 372.469 2.968 20 5 FFBDRO Cc1cc(C)c(S(=O)(=O)NCCC[N@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000493442882 515633232 /nfs/dbraw/zinc/63/32/32/515633232.db2.gz PTAYUSBRBXGFGD-OAHLLOKOSA-N 1 0 369.487 2.754 20 5 FFBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000486962632 515700394 /nfs/dbraw/zinc/70/03/94/515700394.db2.gz GTHQIDKWQARGOS-GJZGRUSLSA-N 1 0 366.849 2.717 20 5 FFBDRO O=C(CC(F)(F)F)NC[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000510887563 515703244 /nfs/dbraw/zinc/70/32/44/515703244.db2.gz KRUGGGWHKCNAOG-CYBMUJFWSA-N 1 0 359.348 2.875 20 5 FFBDRO C[C@@H](CCCc1cccnc1)[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000459641345 515715188 /nfs/dbraw/zinc/71/51/88/515715188.db2.gz MKYBRLLNBKXSGK-HNNXBMFYSA-N 1 0 356.426 2.954 20 5 FFBDRO C[C@@H]1[C@@H](NC(=O)COc2cccc([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000494045865 515717868 /nfs/dbraw/zinc/71/78/68/515717868.db2.gz CNRPIDYKQMBXLO-BEFAXECRSA-N 1 0 369.421 2.753 20 5 FFBDRO CC1CCN(c2ccc(C(=O)NC(C)(C)C[NH+](C)C)cc2[N+](=O)[O-])CC1 ZINC000457227411 515739111 /nfs/dbraw/zinc/73/91/11/515739111.db2.gz VXWXPFAGEYEKMD-UHFFFAOYSA-N 1 0 362.474 2.901 20 5 FFBDRO CSC1(CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[NH+](C)CC1 ZINC000500515460 515749282 /nfs/dbraw/zinc/74/92/82/515749282.db2.gz GMRVPVWBQSKHBH-UHFFFAOYSA-N 1 0 357.863 2.805 20 5 FFBDRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)nc2)CC1 ZINC000478311084 515776890 /nfs/dbraw/zinc/77/68/90/515776890.db2.gz GBAVZCXLCLBGCU-UHFFFAOYSA-N 1 0 369.425 2.773 20 5 FFBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@H](O)COc1cccc2[nH]ccc21 ZINC000511095867 515778287 /nfs/dbraw/zinc/77/82/87/515778287.db2.gz XVEVWADXYLVDEF-INIZCTEOSA-N 1 0 369.421 2.990 20 5 FFBDRO C[NH+](C)CC1(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CCCCC1 ZINC000494323786 515807175 /nfs/dbraw/zinc/80/71/75/515807175.db2.gz XDYUKSDXXBTXAX-UHFFFAOYSA-N 1 0 374.485 2.756 20 5 FFBDRO C[C@H](C[N@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C ZINC000459808453 515821528 /nfs/dbraw/zinc/82/15/28/515821528.db2.gz OWISYXUYBKGMAO-CHWSQXEVSA-N 1 0 365.430 2.831 20 5 FFBDRO Cc1ccc(S(=O)(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000511216595 515831498 /nfs/dbraw/zinc/83/14/98/515831498.db2.gz MPDNDDHQPGPPLQ-CYBMUJFWSA-N 1 0 369.487 2.692 20 5 FFBDRO O=[N+]([O-])c1cn(CCC[NH+]2CCN(c3ccccc3)CC2)nc1C1CC1 ZINC000506438482 515881573 /nfs/dbraw/zinc/88/15/73/515881573.db2.gz JAKUTFRNGBHZKI-UHFFFAOYSA-N 1 0 355.442 2.881 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000494620764 515900360 /nfs/dbraw/zinc/90/03/60/515900360.db2.gz OXGLWXIHKLNDGE-UHFFFAOYSA-N 1 0 361.442 2.942 20 5 FFBDRO CN(CC[NH+](C)C)c1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000474156440 515909276 /nfs/dbraw/zinc/90/92/76/515909276.db2.gz FRXRRHUWHBEVCJ-UHFFFAOYSA-N 1 0 353.220 2.903 20 5 FFBDRO COc1ccc(OCC[NH2+][C@H](CO)c2sccc2C)c([N+](=O)[O-])c1 ZINC000494655760 515911928 /nfs/dbraw/zinc/91/19/28/515911928.db2.gz LWJCVFVFSFTCEZ-CYBMUJFWSA-N 1 0 352.412 2.675 20 5 FFBDRO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000487611992 515921910 /nfs/dbraw/zinc/92/19/10/515921910.db2.gz WVVUPYVDSDYIOF-LBPRGKRZSA-N 1 0 353.369 2.549 20 5 FFBDRO COc1cc(CN2CC[C@H](C[N@H+](C)CC3CC3)C2)c([N+](=O)[O-])cc1F ZINC000464687956 515923930 /nfs/dbraw/zinc/92/39/30/515923930.db2.gz GPCKAPQOFUREBB-CQSZACIVSA-N 1 0 351.422 2.906 20 5 FFBDRO COc1cc(C[NH2+][C@H]2CCN(C3CC3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000494696289 515930649 /nfs/dbraw/zinc/93/06/49/515930649.db2.gz GPMBCBWWIJXOCD-LBPRGKRZSA-N 1 0 371.384 2.574 20 5 FFBDRO CN(CC[N@H+](C)C1CC1)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000501102727 515981375 /nfs/dbraw/zinc/98/13/75/515981375.db2.gz XWCKXDSNMPFUIC-UHFFFAOYSA-N 1 0 371.235 2.915 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+]Cc2ccc(C)s2)cc1[N+](=O)[O-] ZINC000474380674 516022776 /nfs/dbraw/zinc/02/27/76/516022776.db2.gz TUJHLXPTCQEVPF-UHFFFAOYSA-N 1 0 350.396 2.806 20 5 FFBDRO COC(=O)[C@@H]1CC[N@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[C@@H]1C ZINC000469995791 516067265 /nfs/dbraw/zinc/06/72/65/516067265.db2.gz FUGALENZDMSWKT-JTNHKYCSSA-N 1 0 360.370 2.589 20 5 FFBDRO CC1(C)[C@@H](C(F)(F)F)CC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000469996611 516069398 /nfs/dbraw/zinc/06/93/98/516069398.db2.gz PBASSNOBLMKARE-JSGCOSHPSA-N 1 0 362.348 2.997 20 5 FFBDRO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000470131170 516134367 /nfs/dbraw/zinc/13/43/67/516134367.db2.gz FSCHRMJYMOIHEC-XCRHUMRWSA-N 1 0 355.394 2.941 20 5 FFBDRO C[C@H](C[NH+]1CCCCCC1)NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000483642947 516155503 /nfs/dbraw/zinc/15/55/03/516155503.db2.gz NGAMQCRYXFBNND-OAHLLOKOSA-N 1 0 360.458 2.927 20 5 FFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(C(=O)N2CCOCC2)CC1 ZINC000470171574 516161304 /nfs/dbraw/zinc/16/13/04/516161304.db2.gz LSXIWZAIXDHDIR-DTQAZKPQSA-N 1 0 373.453 2.569 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCSC[C@@H]3CCO)o2)c1 ZINC000470205167 516172777 /nfs/dbraw/zinc/17/27/77/516172777.db2.gz COFJJLHGFFWQCG-HNNXBMFYSA-N 1 0 363.439 2.592 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000483701151 516177921 /nfs/dbraw/zinc/17/79/21/516177921.db2.gz LVYKUQAMVXBMSM-ZFWWWQNUSA-N 1 0 364.446 2.618 20 5 FFBDRO CCN(CC)c1ccc(CNC(=O)NCCc2ccccc2[N+](=O)[O-])cn1 ZINC000465524303 516179202 /nfs/dbraw/zinc/17/92/02/516179202.db2.gz JQWBBLFHPQKYEO-UHFFFAOYSA-N 1 0 371.441 2.878 20 5 FFBDRO CCCN(CC[NH+](CC)CC)S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000460918940 516283232 /nfs/dbraw/zinc/28/32/32/516283232.db2.gz VSYVGDQRPFGVHO-UHFFFAOYSA-N 1 0 357.476 2.646 20 5 FFBDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000461040371 516309611 /nfs/dbraw/zinc/30/96/11/516309611.db2.gz DOLROZRNBLPMFF-SNVBAGLBSA-N 1 0 358.236 2.816 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]Cc2ccc3ncccc3c2)cc1 ZINC000543620152 516330800 /nfs/dbraw/zinc/33/08/00/516330800.db2.gz XABILTYRXZFKBI-UHFFFAOYSA-N 1 0 371.418 2.707 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]Cc2cccc3cc[nH]c32)cc1 ZINC000543621436 516333172 /nfs/dbraw/zinc/33/31/72/516333172.db2.gz PNOPEXYRJNZQKF-UHFFFAOYSA-N 1 0 359.407 2.640 20 5 FFBDRO COc1ccc(CC(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000547437929 516336516 /nfs/dbraw/zinc/33/65/16/516336516.db2.gz DQVLNGVJVMXQQO-XOBRGWDASA-N 1 0 371.437 2.954 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CC(=O)N(CCOc2ccccc2)C1 ZINC000543633834 516339214 /nfs/dbraw/zinc/33/92/14/516339214.db2.gz RUTOKYLTCXZSKA-KRWDZBQOSA-N 1 0 369.421 2.673 20 5 FFBDRO O=c1[nH]c(NC[C@H]2CCC[N@@H+]2C2CCCCC2)nc2ccc([N+](=O)[O-])cc21 ZINC000557670466 516372284 /nfs/dbraw/zinc/37/22/84/516372284.db2.gz BFXYSCNBADDXFY-OAHLLOKOSA-N 1 0 371.441 2.875 20 5 FFBDRO COc1cc([C@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)ccc1OCCO ZINC000561115042 516388074 /nfs/dbraw/zinc/38/80/74/516388074.db2.gz SVFXZJIRKVWRDU-AWEZNQCLSA-N 1 0 360.410 2.868 20 5 FFBDRO C[NH+](C)CC1CCN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CC1 ZINC000543830759 516449287 /nfs/dbraw/zinc/44/92/87/516449287.db2.gz WMCRLPYBSNLICB-UHFFFAOYSA-N 1 0 357.357 2.610 20 5 FFBDRO COC(=O)c1ccc(C[NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000517783452 516450813 /nfs/dbraw/zinc/45/08/13/516450813.db2.gz QEANNABIXVBODV-ZDUSSCGKSA-N 1 0 371.393 2.888 20 5 FFBDRO CCCN(CC[NH+]1CCCCC1)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000513121512 516481172 /nfs/dbraw/zinc/48/11/72/516481172.db2.gz FCAYGEHTKQJBQE-UHFFFAOYSA-N 1 0 374.485 2.682 20 5 FFBDRO CCC1(CC)[C@H](OC)C[C@@H]1[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000544072356 516568464 /nfs/dbraw/zinc/56/84/64/516568464.db2.gz VCPAIHQGOYAHRG-JCGIZDLHSA-N 1 0 366.458 2.860 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC([N@H+](C)Cc3ccccc3)C2)c1 ZINC000561419298 516573024 /nfs/dbraw/zinc/57/30/24/516573024.db2.gz DZMQIADYPOZLDJ-UHFFFAOYSA-N 1 0 355.394 2.702 20 5 FFBDRO COc1cc(CC[NH2+]C[C@@H](O)CC2CCCC2)c([N+](=O)[O-])cc1OC ZINC000561425771 516576449 /nfs/dbraw/zinc/57/64/49/516576449.db2.gz WMSRBYLLHSCSCW-HNNXBMFYSA-N 1 0 352.431 2.685 20 5 FFBDRO Cc1cc(S(=O)(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000523863384 516597736 /nfs/dbraw/zinc/59/77/36/516597736.db2.gz PWQXHXRLVMPVBW-OAHLLOKOSA-N 1 0 357.476 2.548 20 5 FFBDRO CCc1ccc([C@@H]2CCC[N@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000513400944 516606592 /nfs/dbraw/zinc/60/65/92/516606592.db2.gz IGAWCINNALTFLK-IEBWSBKVSA-N 1 0 358.442 2.594 20 5 FFBDRO COc1ccc(-c2ccc(C[NH2+][C@H](C)C[S@](C)=O)o2)c([N+](=O)[O-])c1 ZINC000544167314 516621313 /nfs/dbraw/zinc/62/13/13/516621313.db2.gz IQHOJQHQXVGGNK-JNDILOIQSA-N 1 0 352.412 2.720 20 5 FFBDRO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531882183 516691457 /nfs/dbraw/zinc/69/14/57/516691457.db2.gz HQOPOWTWKITGMM-UHFFFAOYSA-N 1 0 356.426 2.974 20 5 FFBDRO COc1cccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])cn2)[NH+]2CCCC2)c1 ZINC000531886425 516692819 /nfs/dbraw/zinc/69/28/19/516692819.db2.gz QOSORAJRRXKZOA-GOSISDBHSA-N 1 0 370.409 2.565 20 5 FFBDRO C[C@@H]1CCCN(Cc2csc(NC(=O)c3ccc([N+](=O)[O-])cn3)n2)C1 ZINC000531890592 516694807 /nfs/dbraw/zinc/69/48/07/516694807.db2.gz OYKCZIPHAVJXOB-LLVKDONJSA-N 1 0 361.427 2.931 20 5 FFBDRO COc1ccc(CC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000536262822 516700469 /nfs/dbraw/zinc/70/04/69/516700469.db2.gz JGHNCNIQONLFBD-OXJNMPFZSA-N 1 0 369.421 2.708 20 5 FFBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1 ZINC000561746994 516746386 /nfs/dbraw/zinc/74/63/86/516746386.db2.gz QTPOWGAQKYPWDL-FRQCXROJSA-N 1 0 374.485 2.976 20 5 FFBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CCN3CCCc4ccccc43)C2)nc1 ZINC000536425928 516759680 /nfs/dbraw/zinc/75/96/80/516759680.db2.gz IEZSMBVHIVHXBV-KRWDZBQOSA-N 1 0 367.453 2.929 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C[C@@H]1C ZINC000524617636 516770099 /nfs/dbraw/zinc/77/00/99/516770099.db2.gz BPSSAQRVMOCSSG-LSDHHAIUSA-N 1 0 371.441 2.725 20 5 FFBDRO O=C1C[C@@H](C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CN1C1CC1 ZINC000518781503 516772645 /nfs/dbraw/zinc/77/26/45/516772645.db2.gz KJMMLGOXHXKLMX-LBPRGKRZSA-N 1 0 372.450 2.819 20 5 FFBDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000518808661 516783341 /nfs/dbraw/zinc/78/33/41/516783341.db2.gz TWQKUYLTRUXYKG-HNNXBMFYSA-N 1 0 363.458 2.990 20 5 FFBDRO C[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1Oc2ccccc2[C@H]1C ZINC000544515860 516791384 /nfs/dbraw/zinc/79/13/84/516791384.db2.gz QJRGIXAOUSZSEZ-SUVVTNLASA-N 1 0 372.421 2.877 20 5 FFBDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000524716443 516800591 /nfs/dbraw/zinc/80/05/91/516800591.db2.gz LNGZGFYVSYLQMS-KRWDZBQOSA-N 1 0 370.453 2.918 20 5 FFBDRO C[C@@H]1CCC[N@H+](CCNc2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)C1 ZINC000561880200 516811959 /nfs/dbraw/zinc/81/19/59/516811959.db2.gz BLHNBNIXQVVOEZ-CQSZACIVSA-N 1 0 366.437 2.714 20 5 FFBDRO C[C@@H](CCc1ccccc1)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000544569246 516817045 /nfs/dbraw/zinc/81/70/45/516817045.db2.gz ILGREWMGNCSXFU-HNNXBMFYSA-N 1 0 362.451 2.979 20 5 FFBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000541013665 516829621 /nfs/dbraw/zinc/82/96/21/516829621.db2.gz DZBHRRHHJJXCTH-NSHDSACASA-N 1 0 357.357 2.656 20 5 FFBDRO Cn1c(C(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000555229538 516841142 /nfs/dbraw/zinc/84/11/42/516841142.db2.gz LIPILJPMLLHNSJ-CYBMUJFWSA-N 1 0 350.806 2.619 20 5 FFBDRO CCc1nn(C)c(NCC2([NH+]3CCC(OC)CC3)CCCC2)c1[N+](=O)[O-] ZINC000536704786 516900014 /nfs/dbraw/zinc/90/00/14/516900014.db2.gz HCVSOOGGZUDBDY-UHFFFAOYSA-N 1 0 365.478 2.726 20 5 FFBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CCC[C@H]2CN2CCOCC2)c1 ZINC000555376946 516904930 /nfs/dbraw/zinc/90/49/30/516904930.db2.gz GWQMHGGYWJMCQV-HNNXBMFYSA-N 1 0 373.375 2.910 20 5 FFBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+](Cc1ccccn1)C1CC1 ZINC000536783992 516933792 /nfs/dbraw/zinc/93/37/92/516933792.db2.gz LQFHHQFIGSPVNX-UHFFFAOYSA-N 1 0 368.393 2.952 20 5 FFBDRO CC(C)[N@@H+]1CCCC[C@H]1Cn1cc(Br)c(=O)c([N+](=O)[O-])c1 ZINC000555469443 516937314 /nfs/dbraw/zinc/93/73/14/516937314.db2.gz MVSSOTSPSALCGR-NSHDSACASA-N 1 0 358.236 2.782 20 5 FFBDRO C[NH+]1CCC([C@@H]2CCN(C(=O)CSc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000555609679 517011977 /nfs/dbraw/zinc/01/19/77/517011977.db2.gz XMKIWSNZTTXRRE-OAHLLOKOSA-N 1 0 363.483 2.877 20 5 FFBDRO CC1=CC[N@H+](CCNC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000545150962 517069607 /nfs/dbraw/zinc/06/96/07/517069607.db2.gz GILQLNSHMYIXHU-UHFFFAOYSA-N 1 0 366.849 2.742 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H](c1cnn(C)c1)C(C)(C)C ZINC000537178718 517070708 /nfs/dbraw/zinc/07/07/08/517070708.db2.gz XNMQRXNOUDLTBX-QGZVFWFLSA-N 1 0 359.430 2.952 20 5 FFBDRO CC1=CC[N@H+](CCNC(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000545173197 517084600 /nfs/dbraw/zinc/08/46/00/517084600.db2.gz UFCBDLGPUGFTIP-UHFFFAOYSA-N 1 0 368.231 2.739 20 5 FFBDRO C[C@H](CCC(C)(C)C)[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000514850979 517090100 /nfs/dbraw/zinc/09/01/00/517090100.db2.gz FAIIJTNKJJLXFT-CYBMUJFWSA-N 1 0 357.476 2.678 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C2(c3ccccc3)CCOCC2)c1 ZINC000532707967 517107153 /nfs/dbraw/zinc/10/71/53/517107153.db2.gz IAGQPSTZZZYSSZ-SFHVURJKSA-N 1 0 372.421 2.630 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)c1 ZINC000537273126 517119260 /nfs/dbraw/zinc/11/92/60/517119260.db2.gz LSCAMCYIMSJKSM-MRXNPFEDSA-N 1 0 361.442 2.759 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1NCC[NH+]1CCN(c3ccccc3)CC1)CCN2 ZINC000562473866 517132627 /nfs/dbraw/zinc/13/26/27/517132627.db2.gz UPYRFHOELAUGJD-UHFFFAOYSA-N 1 0 367.453 2.797 20 5 FFBDRO CCOC(=O)[C@@]1(C(C)C)CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000562598198 517222997 /nfs/dbraw/zinc/22/29/97/517222997.db2.gz SNSXHOQSHIKYFO-SFHVURJKSA-N 1 0 350.415 2.885 20 5 FFBDRO C[C@H](NC(=O)c1cc([N+](=O)[O-])cn1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000537613115 517257122 /nfs/dbraw/zinc/25/71/22/517257122.db2.gz CKSUWZGMGVUAPM-HOCLYGCPSA-N 1 0 356.426 2.574 20 5 FFBDRO O=C(C[NH2+][C@H](CO)C1CCCCC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000541980092 517319582 /nfs/dbraw/zinc/31/95/82/517319582.db2.gz BUEHTNUNXOIWFH-CQSZACIVSA-N 1 0 355.822 2.718 20 5 FFBDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000520254719 517320546 /nfs/dbraw/zinc/32/05/46/517320546.db2.gz LKQODJOSSFNDBG-GASCZTMLSA-N 1 0 364.446 2.536 20 5 FFBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000559572296 517321415 /nfs/dbraw/zinc/32/14/15/517321415.db2.gz ATYGEDVOLPMKLK-SNVBAGLBSA-N 1 0 370.247 2.880 20 5 FFBDRO COc1ccc(NC(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000542036034 517349978 /nfs/dbraw/zinc/34/99/78/517349978.db2.gz FEYLQFSTUGUCOO-MRXNPFEDSA-N 1 0 372.425 2.898 20 5 FFBDRO C[C@H](COc1cccc(F)c1)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000515466837 517363044 /nfs/dbraw/zinc/36/30/44/517363044.db2.gz AAMXDFQBFFHBQG-CJNGLKHVSA-N 1 0 364.373 2.531 20 5 FFBDRO CCCC[N@H+](C)C[C@@H](C)NS(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000515555759 517404673 /nfs/dbraw/zinc/40/46/73/517404673.db2.gz BMJFCEJAENPIPI-CYBMUJFWSA-N 1 0 357.476 2.610 20 5 FFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCC1CCS(=O)(=O)CC1 ZINC000537964000 517418774 /nfs/dbraw/zinc/41/87/74/517418774.db2.gz CHQNDNTTWVQYSK-AWEZNQCLSA-N 1 0 354.472 2.720 20 5 FFBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000533375909 517432307 /nfs/dbraw/zinc/43/23/07/517432307.db2.gz LQXFJNDPMQBMST-CKEIUWERSA-N 1 0 360.458 2.531 20 5 FFBDRO CC[NH+](CC)CC1CCN(c2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])CC1 ZINC000552959145 517454815 /nfs/dbraw/zinc/45/48/15/517454815.db2.gz SNTXUOJJFBFCMG-UHFFFAOYSA-N 1 0 364.446 2.643 20 5 FFBDRO CCC[N@@H+]1CC[C@@H](CN[C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C1 ZINC000562854490 517459235 /nfs/dbraw/zinc/45/92/35/517459235.db2.gz XMJQGQQZBUFSPJ-MAUKXSAKSA-N 1 0 357.458 2.739 20 5 FFBDRO CC(=O)[C@H](Cc1ccccc1)NC(=O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000538174689 517493905 /nfs/dbraw/zinc/49/39/05/517493905.db2.gz KVDBZTVETYXGLE-KUHUBIRLSA-N 1 0 369.421 2.562 20 5 FFBDRO C[N@@H+]1CCC[C@@H](CNC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000556565021 517494294 /nfs/dbraw/zinc/49/42/94/517494294.db2.gz XSSYAYKWDJHIJV-RDJZCZTQSA-N 1 0 360.458 2.826 20 5 FFBDRO C[C@@H]1CCC[C@H](C)N1CCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000520755641 517500418 /nfs/dbraw/zinc/50/04/18/517500418.db2.gz UAHTXRAQRJYLFW-BETUJISGSA-N 1 0 355.460 2.673 20 5 FFBDRO CCc1ccc([C@@H]2C[NH2+]CCN2C(=O)c2cc(OC)ccc2[N+](=O)[O-])cc1 ZINC000562977973 517550884 /nfs/dbraw/zinc/55/08/84/517550884.db2.gz VIODLKRGFWIWIU-IBGZPJMESA-N 1 0 369.421 2.953 20 5 FFBDRO C[C@H](C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)Cc1cccs1 ZINC000562993485 517566786 /nfs/dbraw/zinc/56/67/86/517566786.db2.gz HFWNYTAWHMASSU-ZFWWWQNUSA-N 1 0 350.440 2.864 20 5 FFBDRO O=C(NC[C@@H](NCc1ccccc1)c1ccco1)c1ccc([N+](=O)[O-])cn1 ZINC000553212856 517579575 /nfs/dbraw/zinc/57/95/75/517579575.db2.gz YQEDEFPFXROMDL-QGZVFWFLSA-N 1 0 366.377 2.844 20 5 FFBDRO CCOC(=O)c1ccc(N2CC([NH2+][C@H](C)c3cccc([N+](=O)[O-])c3)C2)nc1 ZINC000542500558 517597321 /nfs/dbraw/zinc/59/73/21/517597321.db2.gz LMNFBUUWHGXYQU-CYBMUJFWSA-N 1 0 370.409 2.706 20 5 FFBDRO C[NH+](C)CCN(Cc1ccccc1F)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000516329303 517662538 /nfs/dbraw/zinc/66/25/38/517662538.db2.gz MKRCKUYBPFSLJT-UHFFFAOYSA-N 1 0 359.401 2.867 20 5 FFBDRO O=C(c1ccncc1)N1CCC([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000538607734 517688885 /nfs/dbraw/zinc/68/88/85/517688885.db2.gz QTDHUEKQOCVLGG-HYXAFXHYSA-N 1 0 366.421 2.897 20 5 FFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@@H](O)CN1CCc2ccccc2C1 ZINC000549907964 517772496 /nfs/dbraw/zinc/77/24/96/517772496.db2.gz SSWLKEYAWBEIRJ-FMSOUQGNSA-N 1 0 367.449 2.617 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])c(N[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)n1 ZINC000542865472 517788505 /nfs/dbraw/zinc/78/85/05/517788505.db2.gz ICQMSEWEQUFNEW-MSOLQXFVSA-N 1 0 370.453 2.902 20 5 FFBDRO CC[C@H](C)[NH2+][C@@H](CNc1nc(C(=O)OC)ccc1[N+](=O)[O-])c1ccco1 ZINC000553601482 517803754 /nfs/dbraw/zinc/80/37/54/517803754.db2.gz MZUAVZYHZSLOIM-AAEUAGOBSA-N 1 0 362.386 2.911 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](CO)c1ccccc1C ZINC000542912526 517810612 /nfs/dbraw/zinc/81/06/12/517810612.db2.gz ZRVONHLXICLONA-KRWDZBQOSA-N 1 0 373.409 2.564 20 5 FFBDRO Cc1cc(N[C@H]2CCC[C@H](C(=O)N(C)C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000543048669 517880700 /nfs/dbraw/zinc/88/07/00/517880700.db2.gz BEEAJHNEAWGVGU-KBPBESRZSA-N 1 0 356.426 2.932 20 5 FFBDRO Cc1nccn1C[C@@H](C)C[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000539068138 517902587 /nfs/dbraw/zinc/90/25/87/517902587.db2.gz MCYZCBOCMUOTDH-UONOGXRCSA-N 1 0 359.430 2.743 20 5 FFBDRO C[C@@H]1COc2ccccc2C[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000543188371 517956009 /nfs/dbraw/zinc/95/60/09/517956009.db2.gz YWZRDLKIFJWYCW-GDBMZVCRSA-N 1 0 358.394 2.618 20 5 FFBDRO CCOc1ccc([C@@H](C)[NH2+]CCn2cc([N+](=O)[O-])ccc2=O)cc1OC ZINC000539266289 517972596 /nfs/dbraw/zinc/97/25/96/517972596.db2.gz LLBWYLORWWQORY-CYBMUJFWSA-N 1 0 361.398 2.515 20 5 FFBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000522180998 518020981 /nfs/dbraw/zinc/02/09/81/518020981.db2.gz BMYXTGMVZVJGMN-GOSISDBHSA-N 1 0 368.437 2.561 20 5 FFBDRO C[C@@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)C[NH+]1CCCC1 ZINC000547289791 518060555 /nfs/dbraw/zinc/06/05/55/518060555.db2.gz WRDDRQSOOCYGGG-ZDUSSCGKSA-N 1 0 351.422 2.860 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)c1 ZINC000554113722 518065416 /nfs/dbraw/zinc/06/54/16/518065416.db2.gz UZBZMQFNSPGZBU-HBUWYVDXSA-N 1 0 361.442 2.796 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000522386957 518095360 /nfs/dbraw/zinc/09/53/60/518095360.db2.gz QKRGINYGRBIKTN-OLZOCXBDSA-N 1 0 369.849 2.816 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1CNC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000543613949 518153504 /nfs/dbraw/zinc/15/35/04/518153504.db2.gz QMIUNWVHGRPHPX-HXUWFJFHSA-N 1 0 355.438 2.630 20 5 FFBDRO Cn1nnc2cc(C[NH+]3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)ccc21 ZINC000539837976 518170420 /nfs/dbraw/zinc/17/04/20/518170420.db2.gz JTWFCMKCRCHHCD-UHFFFAOYSA-N 1 0 367.409 2.920 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCc2ccccc2[C@@H]1C[NH3+] ZINC000572483593 518213716 /nfs/dbraw/zinc/21/37/16/518213716.db2.gz GXOFOIARYDCOIW-IBGZPJMESA-N 1 0 368.437 2.790 20 5 FFBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000578551861 518262662 /nfs/dbraw/zinc/26/26/62/518262662.db2.gz ZKVTXCVYXWXPPA-NSHDSACASA-N 1 0 355.385 2.604 20 5 FFBDRO CC(C)Oc1ccccc1C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000581424566 518278474 /nfs/dbraw/zinc/27/84/74/518278474.db2.gz WBLNMRVMEHPVOL-MRXNPFEDSA-N 1 0 360.410 2.912 20 5 FFBDRO C[N@@H+]1CCN(CCN[C@@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)CC1(C)C ZINC000564091574 518303668 /nfs/dbraw/zinc/30/36/68/518303668.db2.gz WRSIDBOSJIYDCZ-HNNXBMFYSA-N 1 0 374.407 2.814 20 5 FFBDRO O=c1c2cc([N+](=O)[O-])cc(Cl)c2ncn1CCC[NH+]1CCCCC1 ZINC000567048680 518328410 /nfs/dbraw/zinc/32/84/10/518328410.db2.gz NBNPFKFZJLHLMB-UHFFFAOYSA-N 1 0 350.806 2.834 20 5 FFBDRO CN(C(=O)c1cccc2c(=O)c3ccccc3[nH]c12)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000581527847 518329103 /nfs/dbraw/zinc/32/91/03/518329103.db2.gz ONFGZPVDYGQBSK-HNNXBMFYSA-N 1 0 361.445 2.990 20 5 FFBDRO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000564202510 518348918 /nfs/dbraw/zinc/34/89/18/518348918.db2.gz MLBMUEXAGLNOCP-XHSDSOJGSA-N 1 0 362.474 2.879 20 5 FFBDRO Cn1cc([C@@H]2C[N@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)CC2(C)C)cn1 ZINC000575999718 518381676 /nfs/dbraw/zinc/38/16/76/518381676.db2.gz LMTKPAQQDQATOW-KRWDZBQOSA-N 1 0 371.441 2.783 20 5 FFBDRO COc1cc(C(=O)N2CCc3ccccc3[C@@H]2C[NH3+])cc([N+](=O)[O-])c1C ZINC000567272295 518440671 /nfs/dbraw/zinc/44/06/71/518440671.db2.gz LAZZXHYOPNRKKF-KRWDZBQOSA-N 1 0 355.394 2.610 20 5 FFBDRO COc1cc2c(cc1CN(CC[NH3+])c1ccccc1[N+](=O)[O-])O[C@H](C)C2 ZINC000578975285 518462240 /nfs/dbraw/zinc/46/22/40/518462240.db2.gz MSVKZEPODMJEEF-CYBMUJFWSA-N 1 0 357.410 2.892 20 5 FFBDRO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000578980757 518465076 /nfs/dbraw/zinc/46/50/76/518465076.db2.gz PQTRQWIWCCKFDE-GYABFAJESA-N 1 0 358.442 2.569 20 5 FFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)cc1 ZINC000576194428 518472210 /nfs/dbraw/zinc/47/22/10/518472210.db2.gz CLOZVSFDNAZLSQ-QUCCMNQESA-N 1 0 355.438 2.567 20 5 FFBDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000564507890 518479100 /nfs/dbraw/zinc/47/91/00/518479100.db2.gz ZZENGHKDTAGBIY-HNNXBMFYSA-N 1 0 350.463 2.945 20 5 FFBDRO O=C(CC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)Nc1ccccc1 ZINC000581983128 518529929 /nfs/dbraw/zinc/52/99/29/518529929.db2.gz XLTMRGNAFXEBLF-JKSUJKDBSA-N 1 0 357.414 2.893 20 5 FFBDRO CSC1(CNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])CC[NH+](C)CC1 ZINC000573174968 518538706 /nfs/dbraw/zinc/53/87/06/518538706.db2.gz SDFBYZVZPGLUNP-UHFFFAOYSA-N 1 0 366.487 2.564 20 5 FFBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000564800252 518621963 /nfs/dbraw/zinc/62/19/63/518621963.db2.gz DFZSNKXADFDTJG-UHFFFAOYSA-N 1 0 366.425 2.994 20 5 FFBDRO COc1cccc([N+](=O)[O-])c1NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000570653550 518713475 /nfs/dbraw/zinc/71/34/75/518713475.db2.gz ZALFDOCXMKLFSU-JKSUJKDBSA-N 1 0 357.410 2.651 20 5 FFBDRO CC[C@H]1[NH2+]CC[C@H]1C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000579586903 518754304 /nfs/dbraw/zinc/75/43/04/518754304.db2.gz NJPFHLHNGWLMAB-VXGBXAGGSA-N 1 0 374.363 2.530 20 5 FFBDRO COc1cc(CN(C)[C@@H]2CC[NH2+]C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000567865080 518756241 /nfs/dbraw/zinc/75/62/41/518756241.db2.gz DDZJUCQXQKJAQS-GOSISDBHSA-N 1 0 371.437 2.976 20 5 FFBDRO CN(c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C1CC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000565128458 518801672 /nfs/dbraw/zinc/80/16/72/518801672.db2.gz VWGJFAIJHFGMSY-KRWDZBQOSA-N 1 0 368.441 2.861 20 5 FFBDRO C[C@@H](C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000576915293 518823884 /nfs/dbraw/zinc/82/38/84/518823884.db2.gz LWRNHPQRALITKB-MJBXVCDLSA-N 1 0 358.442 2.996 20 5 FFBDRO Cc1cc(N[C@@H]2CCC[C@@H](S(C)(=O)=O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000579880593 518898690 /nfs/dbraw/zinc/89/86/90/518898690.db2.gz BRZUCQJCTIWIDO-TZMCWYRMSA-N 1 0 363.439 2.641 20 5 FFBDRO Cc1cc(N[C@H]2CCC[C@@H](S(C)(=O)=O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000579880590 518899249 /nfs/dbraw/zinc/89/92/49/518899249.db2.gz BRZUCQJCTIWIDO-GXTWGEPZSA-N 1 0 363.439 2.641 20 5 FFBDRO CCOCC[N@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000565331069 518900572 /nfs/dbraw/zinc/90/05/72/518900572.db2.gz DPQUAYUEPYWHJO-UHFFFAOYSA-N 1 0 364.183 2.668 20 5 FFBDRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000565394333 518931659 /nfs/dbraw/zinc/93/16/59/518931659.db2.gz FYRXZCRTJMUUKX-HNNXBMFYSA-N 1 0 362.474 2.656 20 5 FFBDRO O=[N+]([O-])c1cc2c(nc1NC1CC[NH+](C[C@H]3CCOC3)CC1)CCCC2 ZINC000579946680 518933722 /nfs/dbraw/zinc/93/37/22/518933722.db2.gz VLSMBLYVSWSUIN-CQSZACIVSA-N 1 0 360.458 2.781 20 5 FFBDRO COC(=O)C[C@H]1COCCN1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000589208421 518951182 /nfs/dbraw/zinc/95/11/82/518951182.db2.gz HLHFYUSHOQTMPN-HNNXBMFYSA-N 1 0 360.366 2.619 20 5 FFBDRO COc1cccc(C(C)(C)C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000574033255 518956187 /nfs/dbraw/zinc/95/61/87/518956187.db2.gz KJKBYROINZBNMJ-MRXNPFEDSA-N 1 0 374.437 2.911 20 5 FFBDRO COc1cc(C[NH2+][C@H]2C[C@@H]2C(F)F)c([N+](=O)[O-])cc1OCC(F)F ZINC000580006420 518958993 /nfs/dbraw/zinc/95/89/93/518958993.db2.gz YPYDLZUQNPGQID-IUCAKERBSA-N 1 0 352.284 2.991 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H]1CCCOc2ccccc21 ZINC000571198629 518974952 /nfs/dbraw/zinc/97/49/52/518974952.db2.gz SMWGTLAFYKAWRG-ZBFHGGJFSA-N 1 0 358.394 2.838 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000589503016 519020719 /nfs/dbraw/zinc/02/07/19/519020719.db2.gz KBQXXXDKKISPMK-HNNXBMFYSA-N 1 0 361.442 2.689 20 5 FFBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000565631711 519053205 /nfs/dbraw/zinc/05/32/05/519053205.db2.gz TXLRPHPRVPJITL-CQSZACIVSA-N 1 0 359.430 2.631 20 5 FFBDRO CCc1ccc(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](CC)C[C@H]2C)cc1[N+](=O)[O-] ZINC000577389889 519056520 /nfs/dbraw/zinc/05/65/20/519056520.db2.gz BXWSELGHVYGDNJ-CZUORRHYSA-N 1 0 369.487 2.508 20 5 FFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H](SC)[C@@H]([NH+](C)C)C1 ZINC000574243344 519057412 /nfs/dbraw/zinc/05/74/12/519057412.db2.gz DTXRNLDSLRITPY-LSDHHAIUSA-N 1 0 352.460 2.667 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2[C@@H]3CCc4ccccc4[C@@H]32)c1 ZINC000565652241 519064625 /nfs/dbraw/zinc/06/46/25/519064625.db2.gz CMBZZTMULFMYSL-GEALJGNFSA-N 1 0 354.406 2.653 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@H]2CC[C@@](O)(C(F)(F)F)C2)n1 ZINC000589950212 519110990 /nfs/dbraw/zinc/11/09/90/519110990.db2.gz ZSEMTVBNXGEDGF-FMSGJZPZSA-N 1 0 362.352 2.711 20 5 FFBDRO [NH3+]CCC[C@H](NC(=O)NCCOc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000568608286 519126280 /nfs/dbraw/zinc/12/62/80/519126280.db2.gz BHUDDYQMWQMACU-SFHVURJKSA-N 1 0 372.425 2.753 20 5 FFBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000565778049 519127642 /nfs/dbraw/zinc/12/76/42/519127642.db2.gz NRWMANNDXLCVAH-YOEHRIQHSA-N 1 0 368.437 2.817 20 5 FFBDRO COc1ccc(-c2ccc(CN3CC[NH2+]C[C@H]3C(F)F)o2)c([N+](=O)[O-])c1 ZINC000583204406 519129264 /nfs/dbraw/zinc/12/92/64/519129264.db2.gz KIPCRQVORKNERH-HNNXBMFYSA-N 1 0 367.352 2.902 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000590014365 519130163 /nfs/dbraw/zinc/13/01/63/519130163.db2.gz BSRIDNIQDJWCMW-YVEFUNNKSA-N 1 0 367.833 2.570 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000590022594 519131530 /nfs/dbraw/zinc/13/15/30/519131530.db2.gz JQGAVMNDUCXALR-INIZCTEOSA-N 1 0 361.442 2.980 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@@H]2CCC[C@@H]2C2CC2)cc1 ZINC000568619404 519132237 /nfs/dbraw/zinc/13/22/37/519132237.db2.gz BPKFQEJHBKKYBR-WMLDXEAASA-N 1 0 352.456 2.784 20 5 FFBDRO C[C@H]1CC(CC[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000571515836 519134792 /nfs/dbraw/zinc/13/47/92/519134792.db2.gz AQYVNPUBQIDHGD-KBPBESRZSA-N 1 0 370.471 2.552 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CCc1cccc2cccnc21 ZINC000565828053 519153968 /nfs/dbraw/zinc/15/39/68/519153968.db2.gz FTQJPVKUMDMHND-QGZVFWFLSA-N 1 0 367.405 2.715 20 5 FFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000580442934 519178263 /nfs/dbraw/zinc/17/82/63/519178263.db2.gz BJJDTQMCXDNWDN-UHFFFAOYSA-N 1 0 367.471 2.677 20 5 FFBDRO COc1cc(C(=O)N(CCC[NH3+])CC2CCCC2)cc([N+](=O)[O-])c1OC ZINC000577631008 519178531 /nfs/dbraw/zinc/17/85/31/519178531.db2.gz BKRBQAXOMAAFSA-UHFFFAOYSA-N 1 0 365.430 2.593 20 5 FFBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000590456712 519238461 /nfs/dbraw/zinc/23/84/61/519238461.db2.gz GLTOGPWGMNMRGS-RLFYNMQTSA-N 1 0 360.458 2.586 20 5 FFBDRO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000574689682 519282494 /nfs/dbraw/zinc/28/24/94/519282494.db2.gz VWALYUQKQUBUFC-IAGOWNOFSA-N 1 0 372.469 2.657 20 5 FFBDRO [NH3+]C1(CNC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)CCC1 ZINC000574689349 519282617 /nfs/dbraw/zinc/28/26/17/519282617.db2.gz DGLJKSHUSLMXAO-UHFFFAOYSA-N 1 0 354.410 2.818 20 5 FFBDRO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000574689685 519283022 /nfs/dbraw/zinc/28/30/22/519283022.db2.gz VWALYUQKQUBUFC-SJORKVTESA-N 1 0 372.469 2.657 20 5 FFBDRO C[C@H]1CCC[C@@H](CN(CC[NH3+])c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000580678085 519296669 /nfs/dbraw/zinc/29/66/69/519296669.db2.gz VJCLUAFBYFKWCM-UONOGXRCSA-N 1 0 369.487 2.590 20 5 FFBDRO C[C@H]1C[C@H](C)CN(c2ccc(C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)cc2[N+](=O)[O-])C1 ZINC000590663627 519307918 /nfs/dbraw/zinc/30/79/18/519307918.db2.gz YMDUFNFTCBSXOS-BFIPOCKSSA-N 1 0 372.469 2.511 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2C[C@@H]2C2CCCCC2)cc1 ZINC000566118337 519312794 /nfs/dbraw/zinc/31/27/94/519312794.db2.gz UPTFSVNORADEMM-IAGOWNOFSA-N 1 0 352.456 2.927 20 5 FFBDRO CC(C)[NH2+]CCCNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000574862467 519370097 /nfs/dbraw/zinc/37/00/97/519370097.db2.gz YWJGJJMKDDPGIS-UHFFFAOYSA-N 1 0 362.352 2.801 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCc2ccccc2[C@H]1C[NH3+] ZINC000569246110 519452913 /nfs/dbraw/zinc/45/29/13/519452913.db2.gz UUXHTTQCNSRXCB-LJQANCHMSA-N 1 0 368.437 2.790 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)C[C@@H](C)C(=O)OC(C)(C)C)c1 ZINC000590972784 519464351 /nfs/dbraw/zinc/46/43/51/519464351.db2.gz PWFXDZHOJMOUSP-GFCCVEGCSA-N 1 0 366.414 2.791 20 5 FFBDRO C[N@H+](CCCCNc1ccc([N+](=O)[O-])c(N2CCOCC2)c1F)C1CC1 ZINC000566481330 519515599 /nfs/dbraw/zinc/51/55/99/519515599.db2.gz CUBLGIBCEASRIA-UHFFFAOYSA-N 1 0 366.437 2.857 20 5 FFBDRO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccccc1-n1ccnn1 ZINC000581087783 519516796 /nfs/dbraw/zinc/51/67/96/519516796.db2.gz XRCOZLZRDGYQBT-CQSZACIVSA-N 1 0 353.382 2.905 20 5 FFBDRO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N[C@@H]1CCC[NH2+]CC1 ZINC000591306426 519582489 /nfs/dbraw/zinc/58/24/89/519582489.db2.gz WLUIKHGTHQJFGG-SNVBAGLBSA-N 1 0 357.208 2.621 20 5 FFBDRO Cc1nc(C)c([C@H](C)[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000581242409 519594684 /nfs/dbraw/zinc/59/46/84/519594684.db2.gz HZXVEFVBSFEXFQ-JTQLQIEISA-N 1 0 369.468 2.793 20 5 FFBDRO O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000591439051 519625298 /nfs/dbraw/zinc/62/52/98/519625298.db2.gz RLPXVQBDWLJGRY-DTWKUNHWSA-N 1 0 366.290 2.832 20 5 FFBDRO O=[N+]([O-])c1cnc(N2CCC([C@H]3CC[NH2+]C3)CC2)c(Br)c1 ZINC000591442882 519626527 /nfs/dbraw/zinc/62/65/27/519626527.db2.gz GHEYADMUIYXULM-NSHDSACASA-N 1 0 355.236 2.578 20 5 FFBDRO O=[N+]([O-])c1ccccc1C[N@@H+](CCc1cnccn1)[C@H]1CC[C@H](O)CC1 ZINC000602852121 519924282 /nfs/dbraw/zinc/92/42/82/519924282.db2.gz CMFKDNSCTLEGJR-IYARVYRRSA-N 1 0 356.426 2.733 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCN(C)[C@H](C(C)(C)C)C1 ZINC000602873539 519940052 /nfs/dbraw/zinc/94/00/52/519940052.db2.gz KSEOBZREIDZUQL-KRWDZBQOSA-N 1 0 362.474 2.894 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(c2ccc3cccnc3n2)CC1 ZINC000602873533 519940758 /nfs/dbraw/zinc/94/07/58/519940758.db2.gz KQAPMWIUSAPMFZ-UHFFFAOYSA-N 1 0 366.425 2.923 20 5 FFBDRO C[NH+]1CCC2(CCN(CC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C2)CC1 ZINC000602876603 519941251 /nfs/dbraw/zinc/94/12/51/519941251.db2.gz HBHZWDCYNGXKEJ-UHFFFAOYSA-N 1 0 366.849 2.604 20 5 FFBDRO CCOc1ccc([C@@H](C)NCc2nc([C@@H]3CCCO3)n[nH]2)cc1[N+](=O)[O-] ZINC000594507547 520006106 /nfs/dbraw/zinc/00/61/06/520006106.db2.gz GYGOFISOPBSUBR-ABAIWWIYSA-N 1 0 361.402 2.814 20 5 FFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCc2c(nnn2C)C1 ZINC000594519825 520012505 /nfs/dbraw/zinc/01/25/05/520012505.db2.gz GIWWIRXYWQVCCM-QWHCGFSZSA-N 1 0 361.471 2.741 20 5 FFBDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1nc2ccccc2[nH]1 ZINC000591723898 520012551 /nfs/dbraw/zinc/01/25/51/520012551.db2.gz PNLVQJYHZZCPGO-CHWSQXEVSA-N 1 0 356.382 2.562 20 5 FFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(F)c1N1CCOCC1 ZINC000594546559 520019712 /nfs/dbraw/zinc/01/97/12/520019712.db2.gz QXCBIEZVVQGJOM-KGLIPLIRSA-N 1 0 364.421 2.609 20 5 FFBDRO Cc1cccn2cc(CC[NH2+]CCC(=O)Nc3ccccc3[N+](=O)[O-])nc12 ZINC000591748265 520021041 /nfs/dbraw/zinc/02/10/41/520021041.db2.gz FUAIAYNCWMKATE-UHFFFAOYSA-N 1 0 367.409 2.712 20 5 FFBDRO CC(C)[NH2+][C@H]1CCCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)C1 ZINC000594549413 520021309 /nfs/dbraw/zinc/02/13/09/520021309.db2.gz TVUCIVPTYVCUJU-AWEZNQCLSA-N 1 0 366.437 2.537 20 5 FFBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CC[NH2+]C2(CCCCC2)C1 ZINC000594628871 520061506 /nfs/dbraw/zinc/06/15/06/520061506.db2.gz MQTVEXNGUWOEES-UHFFFAOYSA-N 1 0 356.426 2.684 20 5 FFBDRO O=[N+]([O-])c1cc2c(cc1CNc1ccc([C@@H]3C[NH2+]CCO3)cc1)OCCO2 ZINC000594738274 520125148 /nfs/dbraw/zinc/12/51/48/520125148.db2.gz CMGATETUVILTLZ-IBGZPJMESA-N 1 0 371.393 2.639 20 5 FFBDRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000597606071 520132448 /nfs/dbraw/zinc/13/24/48/520132448.db2.gz UGJOWSRXPGSRPW-GXTWGEPZSA-N 1 0 369.849 2.958 20 5 FFBDRO CC(C)Oc1cc(C(=O)N2CCC3(C2)CC[NH+](C)CC3)ccc1[N+](=O)[O-] ZINC000597662908 520164700 /nfs/dbraw/zinc/16/47/00/520164700.db2.gz BJBRTGFPOYKFDK-UHFFFAOYSA-N 1 0 361.442 2.940 20 5 FFBDRO CCC[NH+](CCC)CCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000609076380 520185809 /nfs/dbraw/zinc/18/58/09/520185809.db2.gz SSDCYABBFIJUGO-UHFFFAOYSA-N 1 0 357.476 2.694 20 5 FFBDRO CCOc1cc(N2CC[NH+](CCC[C@@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000592120890 520197915 /nfs/dbraw/zinc/19/79/15/520197915.db2.gz IOQUMEPSTGMRIY-MRXNPFEDSA-N 1 0 363.458 2.932 20 5 FFBDRO C[N@@H+]1CCCC[C@@H](CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000600313847 520200494 /nfs/dbraw/zinc/20/04/94/520200494.db2.gz KOHVRHUSWXJNKC-NSHDSACASA-N 1 0 370.247 2.819 20 5 FFBDRO C[C@]1(Cc2ccccc2F)CCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000592143988 520221770 /nfs/dbraw/zinc/22/17/70/520221770.db2.gz WJGGJAHANKUNMU-LJQANCHMSA-N 1 0 359.401 2.993 20 5 FFBDRO O=C(NCc1ccccc1)[C@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000592155205 520231516 /nfs/dbraw/zinc/23/15/16/520231516.db2.gz MSZVLKUBBIJBGZ-KRWDZBQOSA-N 1 0 369.421 2.612 20 5 FFBDRO CN1CCN(Cc2ccccc2)[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000594995028 520248312 /nfs/dbraw/zinc/24/83/12/520248312.db2.gz NBKVUGYDWYGVDZ-HXUWFJFHSA-N 1 0 354.454 2.501 20 5 FFBDRO CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000592183119 520249595 /nfs/dbraw/zinc/24/95/95/520249595.db2.gz CYFWGPRXDQOUMT-XHDPSFHLSA-N 1 0 359.348 2.965 20 5 FFBDRO C[NH+]1CCC2(CC1)CN(Cc1coc(-c3ccc([N+](=O)[O-])cc3)n1)CCO2 ZINC000592183818 520250017 /nfs/dbraw/zinc/25/00/17/520250017.db2.gz BVNLLPNUBHQWQH-UHFFFAOYSA-N 1 0 372.425 2.546 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C1CCC(CS(C)(=O)=O)CC1 ZINC000595042117 520266642 /nfs/dbraw/zinc/26/66/42/520266642.db2.gz PEBKIMLARRHZQD-HSBZDZAISA-N 1 0 370.471 2.857 20 5 FFBDRO Cn1ccnc1[C@@H](NC[C@@H]1CC[N@@H+]1C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000595049801 520270947 /nfs/dbraw/zinc/27/09/47/520270947.db2.gz OTESUQYCRXTNJU-IRXDYDNUSA-N 1 0 357.458 2.880 20 5 FFBDRO C[NH+](C)C[C@@H](NC(=O)c1[nH]ncc1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000600469386 520279617 /nfs/dbraw/zinc/27/96/17/520279617.db2.gz AKVHSJGNXWSACE-LLVKDONJSA-N 1 0 372.212 2.657 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000597853498 520282229 /nfs/dbraw/zinc/28/22/29/520282229.db2.gz BDVOGGDRINHQKZ-CQSZACIVSA-N 1 0 371.441 2.631 20 5 FFBDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000609346923 520289469 /nfs/dbraw/zinc/28/94/69/520289469.db2.gz WBHBNMZSCYGXGT-HUUCEWRRSA-N 1 0 371.441 2.773 20 5 FFBDRO COc1cccc([C@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)[NH+](C)C)c1 ZINC000609442064 520312268 /nfs/dbraw/zinc/31/22/68/520312268.db2.gz GBLJDWPZDLTNFX-KRWDZBQOSA-N 1 0 361.373 2.775 20 5 FFBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N[C@@H]3CCC[NH2+]CC3)cc2[N+](=O)[O-])C1 ZINC000592329917 520337893 /nfs/dbraw/zinc/33/78/93/520337893.db2.gz CKCOLAFRAFHIDM-HLLBOEOZSA-N 1 0 374.485 2.949 20 5 FFBDRO CCN(C(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1)[C@H]1CC[N@H+](C)C1 ZINC000597944075 520342891 /nfs/dbraw/zinc/34/28/91/520342891.db2.gz BXIXLWMPDLXIKQ-WBVHZDCISA-N 1 0 374.485 2.997 20 5 FFBDRO CCN(C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])[C@@H]1CC[N@H+](C)C1 ZINC000597946615 520346185 /nfs/dbraw/zinc/34/61/85/520346185.db2.gz QPKKVLYJOVBYPM-OAHLLOKOSA-N 1 0 354.410 2.823 20 5 FFBDRO O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)c1csc([N+](=O)[O-])c1 ZINC000603755864 520354901 /nfs/dbraw/zinc/35/49/01/520354901.db2.gz GXJVNTKEUREFFE-UHFFFAOYSA-N 1 0 374.466 2.598 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](c3ccccc3)[C@H]([NH3+])C2)c1 ZINC000595223139 520358376 /nfs/dbraw/zinc/35/83/76/520358376.db2.gz ZCHUSGRVCPBTDD-NVXWUHKLSA-N 1 0 355.394 2.560 20 5 FFBDRO NC(=O)c1ccccc1N1CC[C@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000609561738 520358235 /nfs/dbraw/zinc/35/82/35/520358235.db2.gz HACJVYJLZCKFKM-WRLNGNIRSA-N 1 0 366.421 2.575 20 5 FFBDRO CCOc1ccc(C(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000595226634 520360493 /nfs/dbraw/zinc/36/04/93/520360493.db2.gz XJIPNZMKKLZWNN-CVEARBPZSA-N 1 0 361.442 2.988 20 5 FFBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CC[C@@H](C)[C@@H]([NH3+])C3)cc2[N+](=O)[O-])C1 ZINC000595229431 520361980 /nfs/dbraw/zinc/36/19/80/520361980.db2.gz YQAJXIMDWMQNAZ-DLTWYDFYSA-N 1 0 374.485 2.886 20 5 FFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CC3CC3)C2)nc1OCc1ccccc1 ZINC000613179954 520371912 /nfs/dbraw/zinc/37/19/12/520371912.db2.gz BXMLANCJUOXPTF-QGZVFWFLSA-N 1 0 368.437 2.887 20 5 FFBDRO Cc1cc(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000595255758 520375281 /nfs/dbraw/zinc/37/52/81/520375281.db2.gz COKTUHXNCJZFDG-IAGOWNOFSA-N 1 0 357.385 2.918 20 5 FFBDRO Cc1ccc(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000595256601 520375342 /nfs/dbraw/zinc/37/53/42/520375342.db2.gz OYOFGBIDKIOBDG-IAGOWNOFSA-N 1 0 357.385 2.918 20 5 FFBDRO COc1ccc(C(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)cc1[N+](=O)[O-] ZINC000595258297 520376285 /nfs/dbraw/zinc/37/62/85/520376285.db2.gz TXRPHQHJVBYQCV-KRWDZBQOSA-N 1 0 357.366 2.517 20 5 FFBDRO O=[N+]([O-])c1ncccc1NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000603852390 520377969 /nfs/dbraw/zinc/37/79/69/520377969.db2.gz WSGJXKIIEUJNAA-UHFFFAOYSA-N 1 0 355.442 2.610 20 5 FFBDRO C[N@H+](Cc1ccc2nc(NC(=O)c3c[nH]nc3[N+](=O)[O-])sc2c1)C1CC1 ZINC000598028012 520384581 /nfs/dbraw/zinc/38/45/81/520384581.db2.gz LTHFPHDFWDLRHN-UHFFFAOYSA-N 1 0 372.410 2.774 20 5 FFBDRO C[C@@H]1C[NH+](C[C@@H]2CCCN2Cc2ccc(F)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000595294921 520392758 /nfs/dbraw/zinc/39/27/58/520392758.db2.gz UPZMZDSDCGQORJ-CPUCHLNUSA-N 1 0 351.422 2.808 20 5 FFBDRO Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CC[C@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000592471487 520404120 /nfs/dbraw/zinc/40/41/20/520404120.db2.gz MCKOUYMGZWODON-BEFAXECRSA-N 1 0 368.437 2.864 20 5 FFBDRO CC(C)(C)OC(=O)C1CCC(O)(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000600720637 520423019 /nfs/dbraw/zinc/42/30/19/520423019.db2.gz ILIIQEWRPPVHKC-UHFFFAOYSA-N 1 0 364.442 2.947 20 5 FFBDRO CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000592528490 520441893 /nfs/dbraw/zinc/44/18/93/520441893.db2.gz SAROHBWPPXYCGT-DRDHIDPGSA-N 1 0 357.332 2.608 20 5 FFBDRO CC[C@@H]1CN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000592544278 520451956 /nfs/dbraw/zinc/45/19/56/520451956.db2.gz BGOIICUCDDZQPK-YPMHNXCESA-N 1 0 355.822 2.603 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](CO)[C@H](C)c1ccccc1 ZINC000613389711 520479082 /nfs/dbraw/zinc/47/90/82/520479082.db2.gz KUKDYLWBHFPWIJ-RDTXWAMCSA-N 1 0 357.410 2.596 20 5 FFBDRO COc1ccc(OCC[NH2+][C@@H](CO)[C@@H](C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000613389677 520479669 /nfs/dbraw/zinc/47/96/69/520479669.db2.gz JXXYLMXCJKYPHU-YOEHRIQHSA-N 1 0 360.410 2.736 20 5 FFBDRO C[C@H]([NH2+][C@@H](CO)[C@@H](C)c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000613390189 520481089 /nfs/dbraw/zinc/48/10/89/520481089.db2.gz ZNSCEDMOZMZUJD-DEYYWGMASA-N 1 0 357.410 2.676 20 5 FFBDRO COc1ccc(CC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000609977612 520494453 /nfs/dbraw/zinc/49/44/53/520494453.db2.gz YTVHJYRJMSPAMK-INIZCTEOSA-N 1 0 361.442 2.623 20 5 FFBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000595572301 520561007 /nfs/dbraw/zinc/56/10/07/520561007.db2.gz DTTDQRUPWALJKU-IBGZPJMESA-N 1 0 368.437 2.711 20 5 FFBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000595576540 520565130 /nfs/dbraw/zinc/56/51/30/520565130.db2.gz ZQOBAENQJMWICJ-KRWDZBQOSA-N 1 0 360.458 2.559 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(C[NH2+][C@@H](C2CC2)C2(CO)CCOCC2)c(F)c1 ZINC000595587467 520572033 /nfs/dbraw/zinc/57/20/33/520572033.db2.gz CVAOZMVBBSFTBU-INIZCTEOSA-N 1 0 356.369 2.530 20 5 FFBDRO CC(C)[NH2+][C@@H]1CCCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000604561698 520606237 /nfs/dbraw/zinc/60/62/37/520606237.db2.gz RIKVFSMPRNARHO-MRXNPFEDSA-N 1 0 360.458 2.798 20 5 FFBDRO CNc1c(C(=O)NC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000592881705 520631972 /nfs/dbraw/zinc/63/19/72/520631972.db2.gz NGOHUBZJABGWAS-WBVHZDCISA-N 1 0 368.437 2.712 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000610476246 520704547 /nfs/dbraw/zinc/70/45/47/520704547.db2.gz MZTJGLVFRZVSKW-SFHVURJKSA-N 1 0 363.458 2.680 20 5 FFBDRO COc1cc(C(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)cc([N+](=O)[O-])c1C ZINC000598559359 520704892 /nfs/dbraw/zinc/70/48/92/520704892.db2.gz GFKCGYMGXCDWOK-OAHLLOKOSA-N 1 0 361.442 2.764 20 5 FFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000610478188 520707254 /nfs/dbraw/zinc/70/72/54/520707254.db2.gz PRMLDZWBPNMHEB-UHFFFAOYSA-N 1 0 374.445 2.795 20 5 FFBDRO Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])cn1 ZINC000595767778 520709650 /nfs/dbraw/zinc/70/96/50/520709650.db2.gz COICXUBCQHESBP-HOTGVXAUSA-N 1 0 371.441 2.658 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H]1CCC[C@@H]1Cc1cnn(C)c1 ZINC000595772415 520713221 /nfs/dbraw/zinc/71/32/21/520713221.db2.gz SNXZNQLEWZDMSO-QAPCUYQASA-N 1 0 371.441 2.576 20 5 FFBDRO O=C(C[N@@H+]1CCC[C@@H]([C@H]2CCCCO2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000595789782 520726827 /nfs/dbraw/zinc/72/68/27/520726827.db2.gz OHLNPJXXKVBKFV-VQIMIIECSA-N 1 0 373.453 2.765 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H](n1cncn1)C(F)(F)F)CCC2 ZINC000601295037 520728833 /nfs/dbraw/zinc/72/88/33/520728833.db2.gz SKYFGYNIQLZPAC-KGLIPLIRSA-N 1 0 355.320 2.957 20 5 FFBDRO COC(=O)c1ccnc(NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000598585922 520728709 /nfs/dbraw/zinc/72/87/09/520728709.db2.gz BKXJHXKSRDFYBG-CYBMUJFWSA-N 1 0 370.409 2.635 20 5 FFBDRO COC(=O)c1ccnc(N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000598589923 520729600 /nfs/dbraw/zinc/72/96/00/520729600.db2.gz VQQZAWLRSGNCNR-JHJVBQTASA-N 1 0 350.419 2.555 20 5 FFBDRO C[N@@H+]1CCN(CCOc2ccccc2[N+](=O)[O-])[C@@H](Cc2ccccc2)C1 ZINC000593089376 520736715 /nfs/dbraw/zinc/73/67/15/520736715.db2.gz RZZLLTPQVZPYCR-SFHVURJKSA-N 1 0 355.438 2.832 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H](C)OCC12CCC2 ZINC000593091109 520738588 /nfs/dbraw/zinc/73/85/88/520738588.db2.gz FMULLHOPJWJQKD-ZDUSSCGKSA-N 1 0 363.414 2.575 20 5 FFBDRO COc1ccc(NC(=O)CC[N@@H+]2C[C@H](C)OCC23CCC3)c([N+](=O)[O-])c1 ZINC000593093475 520741687 /nfs/dbraw/zinc/74/16/87/520741687.db2.gz UECGDFSAGFLOAY-ZDUSSCGKSA-N 1 0 363.414 2.575 20 5 FFBDRO Cc1cc(S(=O)(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])s1 ZINC000601340626 520748629 /nfs/dbraw/zinc/74/86/29/520748629.db2.gz RYTBMHXUYGACMV-CYBMUJFWSA-N 1 0 373.500 2.604 20 5 FFBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000593123880 520763810 /nfs/dbraw/zinc/76/38/10/520763810.db2.gz FTYJRTDNNKZLJT-FHWLQOOXSA-N 1 0 369.421 2.751 20 5 FFBDRO [NH3+][C@H]1CCc2ccccc2N(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000595904184 520811049 /nfs/dbraw/zinc/81/10/49/520811049.db2.gz TUSSDEAJILAYAF-AWEZNQCLSA-N 1 0 374.828 2.967 20 5 FFBDRO C[C@@H]1C[N@H+](C)[C@H](C)[C@H](C)N1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000593187556 520810977 /nfs/dbraw/zinc/81/09/77/520810977.db2.gz LSZIVBFEAFPINF-OAGGEKHMSA-N 1 0 374.485 2.751 20 5 FFBDRO CC(C)C[N@H+](C)CCCNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000593204083 520824468 /nfs/dbraw/zinc/82/44/68/520824468.db2.gz SIPOMLDZCJMFLA-UHFFFAOYSA-N 1 0 359.373 2.904 20 5 FFBDRO Cc1ccc([C@H](C)NC(=O)c2cc(C3CC[NH2+]CC3)no2)cc1[N+](=O)[O-] ZINC000595929282 520830028 /nfs/dbraw/zinc/83/00/28/520830028.db2.gz IVGPXYLEDJJOFS-LBPRGKRZSA-N 1 0 358.398 2.849 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H](C[NH+](C)C)Oc3ccccc32)c1 ZINC000610761803 520833662 /nfs/dbraw/zinc/83/36/62/520833662.db2.gz DAHKIJFIAZVFLV-AWEZNQCLSA-N 1 0 355.394 2.873 20 5 FFBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CC4CC3(C[NH3+])C4)cc2[N+](=O)[O-])C1 ZINC000595944232 520834255 /nfs/dbraw/zinc/83/42/55/520834255.db2.gz FOYIJLJRFUODAV-VUFQOXLZSA-N 1 0 372.469 2.640 20 5 FFBDRO CNc1ccc(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000595966477 520840056 /nfs/dbraw/zinc/84/00/56/520840056.db2.gz HEFFOMOYOVRRRR-NVXWUHKLSA-N 1 0 372.400 2.651 20 5 FFBDRO COc1ccc(NC(=O)[C@H](C)N(C)CCOC(C)(C)C)c([N+](=O)[O-])c1 ZINC000610859770 520876599 /nfs/dbraw/zinc/87/65/99/520876599.db2.gz LYYOSSQMQVVDAD-LBPRGKRZSA-N 1 0 353.419 2.677 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](OCC[NH+]3CCCCC3)C2)c1 ZINC000610886922 520893981 /nfs/dbraw/zinc/89/39/81/520893981.db2.gz HZWJUOWDZRAUPQ-MRXNPFEDSA-N 1 0 361.442 2.620 20 5 FFBDRO C[C@@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000610904658 520899852 /nfs/dbraw/zinc/89/98/52/520899852.db2.gz QZMXGWRNBVHBOP-SNVBAGLBSA-N 1 0 370.247 2.817 20 5 FFBDRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2C(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000598913259 520913653 /nfs/dbraw/zinc/91/36/53/520913653.db2.gz HAQFPKRDWUADOB-HFBAOOFYSA-N 1 0 366.393 2.627 20 5 FFBDRO COC(=O)c1c(Cl)c(N2CC[C@@H]([NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000596104654 520915009 /nfs/dbraw/zinc/91/50/09/520915009.db2.gz KLDRSRFQEWELHE-LLVKDONJSA-N 1 0 353.806 2.709 20 5 FFBDRO Cc1ccc([C@H](CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)[NH+]2CCCC2)o1 ZINC000596109799 520918369 /nfs/dbraw/zinc/91/83/69/520918369.db2.gz KEQUZDGFNGOMGB-INIZCTEOSA-N 1 0 358.398 2.844 20 5 FFBDRO C[C@]1(NC(=O)COc2ccc([N+](=O)[O-])cc2)CC[N@H+](Cc2ccccc2)C1 ZINC000593342469 520924098 /nfs/dbraw/zinc/92/40/98/520924098.db2.gz PJBOFHMWKGCYMT-FQEVSTJZSA-N 1 0 369.421 2.754 20 5 FFBDRO CCC1([NH+]2CCCC2)CCN(C(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000601743968 520930199 /nfs/dbraw/zinc/93/01/99/520930199.db2.gz GNHBNOFQHWUNIY-UHFFFAOYSA-N 1 0 360.458 2.874 20 5 FFBDRO CC[NH+](CC)CCCNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000598958720 520944598 /nfs/dbraw/zinc/94/45/98/520944598.db2.gz VXSPFSQVUHOVGU-UHFFFAOYSA-N 1 0 358.236 2.819 20 5 FFBDRO CC(C)(C)OC(=O)c1ccc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)s1 ZINC000598967825 520949233 /nfs/dbraw/zinc/94/92/33/520949233.db2.gz NRECBJOZXYVLRL-UHFFFAOYSA-N 1 0 352.416 2.598 20 5 FFBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000598975446 520954075 /nfs/dbraw/zinc/95/40/75/520954075.db2.gz ILGUCCZAGAGZNC-GOSISDBHSA-N 1 0 360.458 2.844 20 5 FFBDRO Cc1cc(N2CCC(N3CC[NH+](C(C)C)CC3)CC2)c([N+](=O)[O-])s1 ZINC000596178890 520954081 /nfs/dbraw/zinc/95/40/81/520954081.db2.gz MJOGHCVYYFZGJB-UHFFFAOYSA-N 1 0 352.504 2.960 20 5 FFBDRO Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(C)([NH+]2CCCC2)CC1 ZINC000601859971 520993544 /nfs/dbraw/zinc/99/35/44/520993544.db2.gz OZPZORKLPINFNS-UHFFFAOYSA-N 1 0 370.457 2.845 20 5 FFBDRO CC(C)[NH2+]C1(CO)CCN(c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000596250651 520994518 /nfs/dbraw/zinc/99/45/18/520994518.db2.gz KESSPRIKRVBMBN-UHFFFAOYSA-N 1 0 372.263 2.687 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)nccc2N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000593474583 521017646 /nfs/dbraw/zinc/01/76/46/521017646.db2.gz OFMZKVBEOUEZCM-OAHLLOKOSA-N 1 0 356.426 2.692 20 5 FFBDRO O=[N+]([O-])c1c2ccncc2ccc1N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000599104085 521033134 /nfs/dbraw/zinc/03/31/34/521033134.db2.gz ZNSFPPDFOZWOAA-MRXNPFEDSA-N 1 0 356.426 2.834 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH+]3CCOCC3)CC2)cc1C(F)(F)F ZINC000599107092 521034451 /nfs/dbraw/zinc/03/44/51/521034451.db2.gz YVYFFOLJIHZKOH-UHFFFAOYSA-N 1 0 359.348 2.915 20 5 FFBDRO C[C@@H](CNC(=O)c1c(Br)cccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000599107301 521034517 /nfs/dbraw/zinc/03/45/17/521034517.db2.gz LXGPBAYNWHSXBF-NSHDSACASA-N 1 0 370.247 2.819 20 5 FFBDRO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)c1csc(-c3cccc([N+](=O)[O-])c3)n1)C2 ZINC000601978126 521054748 /nfs/dbraw/zinc/05/47/48/521054748.db2.gz XQMJERVIWMWSEJ-HDICACEKSA-N 1 0 372.450 2.790 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2ccc(CN3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)o2)c1 ZINC000611268438 521067889 /nfs/dbraw/zinc/06/78/89/521067889.db2.gz NSODBVUTMAMJIO-MOPGFXCFSA-N 1 0 371.437 2.886 20 5 FFBDRO CC(C)c1ccc(CN2CCN([C@H]3CCC[N@H+](C)C3)CC2)cc1[N+](=O)[O-] ZINC000611270999 521071514 /nfs/dbraw/zinc/07/15/14/521071514.db2.gz YYBHFCAGPFLOJH-SFHVURJKSA-N 1 0 360.502 2.930 20 5 FFBDRO CS(=O)(=O)c1ccc(N[C@@H]2CC[N@@H+](C3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000596479008 521092417 /nfs/dbraw/zinc/09/24/17/521092417.db2.gz RNAGXONTKHYTRW-CYBMUJFWSA-N 1 0 367.471 2.817 20 5 FFBDRO O=C1[C@H]([N@@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000611350386 521113669 /nfs/dbraw/zinc/11/36/69/521113669.db2.gz KQLVVGCOSPGTFH-JTDSTZFVSA-N 1 0 373.453 2.839 20 5 FFBDRO O=C(C[N@@H+]1CCC[C@H](C[C@@H]2CCOC2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000611350874 521115606 /nfs/dbraw/zinc/11/56/06/521115606.db2.gz VQTGZPUSWHXJPI-CVEARBPZSA-N 1 0 373.453 2.623 20 5 FFBDRO Cn1nc(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c2ccccc21 ZINC000618575540 521131847 /nfs/dbraw/zinc/13/18/47/521131847.db2.gz PDTGOBHFXKVBNO-WMLDXEAASA-N 1 0 354.414 2.952 20 5 FFBDRO O=c1[nH]cnc2cc(NCC3CC[NH+](CC4CC4)CC3)c([N+](=O)[O-])cc21 ZINC000596563962 521133432 /nfs/dbraw/zinc/13/34/32/521133432.db2.gz XDSQGXYHBRXEPH-UHFFFAOYSA-N 1 0 357.414 2.778 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1C[C@@H]([NH+]2CCCC2)C1 ZINC000602174816 521187991 /nfs/dbraw/zinc/18/79/91/521187991.db2.gz VBNUNUGSLPKONX-FPMFFAJLSA-N 1 0 367.833 2.759 20 5 FFBDRO COc1cc(C[N@@H+]2CCC[C@H](CCO)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000611518693 521198143 /nfs/dbraw/zinc/19/81/43/521198143.db2.gz DLXQCWVIWXOZAT-GFCCVEGCSA-N 1 0 374.384 2.842 20 5 FFBDRO CN(CC[NH+]1CCCCC1)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000593882802 521270302 /nfs/dbraw/zinc/27/03/02/521270302.db2.gz MCQSYKZGTFHELZ-UHFFFAOYSA-N 1 0 351.422 2.956 20 5 FFBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@H](c2ccc(F)c(F)c2)C1 ZINC000599516340 521273459 /nfs/dbraw/zinc/27/34/59/521273459.db2.gz REKWDILMESMYQJ-AWEZNQCLSA-N 1 0 363.364 2.914 20 5 FFBDRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)C2)C1 ZINC000593913173 521286964 /nfs/dbraw/zinc/28/69/64/521286964.db2.gz RYJHIVJIFIXIJW-HWWQOWPSSA-N 1 0 367.833 2.607 20 5 FFBDRO C[NH+](C)CCOc1ccc(CNc2ncnc3ccc([N+](=O)[O-])cc32)cc1 ZINC000611700191 521287259 /nfs/dbraw/zinc/28/72/59/521287259.db2.gz FEUPNNCPSWLNPG-UHFFFAOYSA-N 1 0 367.409 2.512 20 5 FFBDRO O=[N+]([O-])c1ccc2ncnc(NCCC[N@@H+]3CCc4ccccc4C3)c2c1 ZINC000611703605 521289225 /nfs/dbraw/zinc/28/92/25/521289225.db2.gz VWWWQRRXNCHYBD-UHFFFAOYSA-N 1 0 363.421 2.820 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000593916287 521291130 /nfs/dbraw/zinc/29/11/30/521291130.db2.gz PJJWKDZJIFENKV-MBNYWOFBSA-N 1 0 369.849 2.991 20 5 FFBDRO C[C@@H]1CCCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])[C@H]1CC[NH3+] ZINC000593933426 521298735 /nfs/dbraw/zinc/29/87/35/521298735.db2.gz AOCSLEDQLFJAPM-MFKMUULPSA-N 1 0 370.247 2.947 20 5 FFBDRO C[C@@H]1C[C@H](NC(=O)c2c(Br)cccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000599576162 521308668 /nfs/dbraw/zinc/30/86/68/521308668.db2.gz KFDHMAMJDJGIBN-NXEZZACHSA-N 1 0 356.220 2.570 20 5 FFBDRO COc1ccc(NC(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000596827631 521313326 /nfs/dbraw/zinc/31/33/26/521313326.db2.gz FPCPOTDAFKHVDN-AWEZNQCLSA-N 1 0 362.430 2.847 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000599587993 521313382 /nfs/dbraw/zinc/31/33/82/521313382.db2.gz NCHSQHDDHBCFAW-PWSUYJOCSA-N 1 0 360.336 2.894 20 5 FFBDRO Cc1c(NC(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)cc(Br)cc1[N+](=O)[O-] ZINC000599605867 521327734 /nfs/dbraw/zinc/32/77/34/521327734.db2.gz GBUUGNSMOWYONF-GZMMTYOYSA-N 1 0 371.235 2.928 20 5 FFBDRO [NH3+]C1(CNC(=O)c2c(Br)cccc2[N+](=O)[O-])CCCCC1 ZINC000602421225 521335733 /nfs/dbraw/zinc/33/57/33/521335733.db2.gz KXZKGSJIXDAHMU-UHFFFAOYSA-N 1 0 356.220 2.749 20 5 FFBDRO CC1(C)[C@@H](c2cccc(F)c2)CC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000599629782 521343454 /nfs/dbraw/zinc/34/34/54/521343454.db2.gz MHPFWEWUHGKZAV-IAGOWNOFSA-N 1 0 362.405 2.559 20 5 FFBDRO CCC(C)(C)[NH+]1CCN(CCOc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000594020311 521354862 /nfs/dbraw/zinc/35/48/62/521354862.db2.gz HEWFTYCTWDCBDM-UHFFFAOYSA-N 1 0 351.447 2.788 20 5 FFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH+]1CCC(OCCCO)CC1 ZINC000602478357 521367637 /nfs/dbraw/zinc/36/76/37/521367637.db2.gz XHXFLHCSPJUDAN-UHFFFAOYSA-N 1 0 362.348 2.977 20 5 FFBDRO CC[C@H]([NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)[C@H]1CCCCO1 ZINC000594042683 521369018 /nfs/dbraw/zinc/36/90/18/521369018.db2.gz NFZVLZIVYZRZOH-GOEBONIOSA-N 1 0 363.414 2.830 20 5 FFBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[NH+](CCCF)CC1 ZINC000599672725 521388005 /nfs/dbraw/zinc/38/80/05/521388005.db2.gz USILLBXXCLBXRW-LBPRGKRZSA-N 1 0 372.828 2.552 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3COc4ccccc4C3)CC2)cn1 ZINC000602532322 521399417 /nfs/dbraw/zinc/39/94/17/521399417.db2.gz FHKJFDDNMMUXJL-MRXNPFEDSA-N 1 0 354.410 2.552 20 5 FFBDRO CCC(C)(C)[NH+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000594095310 521399785 /nfs/dbraw/zinc/39/97/85/521399785.db2.gz VINLPNCXGCLVMP-UHFFFAOYSA-N 1 0 350.419 2.942 20 5 FFBDRO CC(=O)N1CCC(C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602538880 521401259 /nfs/dbraw/zinc/40/12/59/521401259.db2.gz ZQFNFEJVDCLOMP-UHFFFAOYSA-N 1 0 359.348 2.962 20 5 FFBDRO CC[C@H]1CCCCN1CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602549353 521405381 /nfs/dbraw/zinc/40/53/81/521405381.db2.gz UNKBMIQHILCHNK-KRWDZBQOSA-N 1 0 361.490 2.813 20 5 FFBDRO COC1CC[NH+](C(C)(C)CNCc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000602548137 521406649 /nfs/dbraw/zinc/40/66/49/521406649.db2.gz QCWORAUBVGIXCO-UHFFFAOYSA-N 1 0 362.430 2.715 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H](CCO)C3CCCCC3)CC2)cn1 ZINC000602578278 521419050 /nfs/dbraw/zinc/41/90/50/521419050.db2.gz MTMDPGOLCSSHRJ-SFHVURJKSA-N 1 0 362.474 2.880 20 5 FFBDRO COC(=O)[C@@H]1C[C@@H](C)N(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[C@@H](C)C1 ZINC000599711022 521419273 /nfs/dbraw/zinc/41/92/73/521419273.db2.gz TZARDPBBGUKEDX-DABQJJPHSA-N 1 0 374.397 2.807 20 5 FFBDRO CCC(CC)(C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C(=O)OC ZINC000602596496 521431068 /nfs/dbraw/zinc/43/10/68/521431068.db2.gz PFFJJOIVCGXYPM-UHFFFAOYSA-N 1 0 364.446 2.528 20 5 FFBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)[C@@H]1OC ZINC000602616730 521439409 /nfs/dbraw/zinc/43/94/09/521439409.db2.gz NFTBVLKTYJTUJX-MXWKQRLJSA-N 1 0 365.249 2.701 20 5 FFBDRO C[N@@H+](Cc1ccccc1)C[C@@H](O)Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000612031649 521447070 /nfs/dbraw/zinc/44/70/70/521447070.db2.gz OOCPLDIECPXBIX-GOSISDBHSA-N 1 0 366.421 2.951 20 5 FFBDRO COC(=O)[C@H]1CC[C@@H]([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602643089 521453433 /nfs/dbraw/zinc/45/34/33/521453433.db2.gz IAJRJXRKZQZULO-JGVFFNPUSA-N 1 0 363.233 2.850 20 5 FFBDRO CCC[N@H+](Cc1cn(C)nc1[N+](=O)[O-])[C@@H](C)CC(=O)Nc1ccccc1 ZINC000602654524 521461369 /nfs/dbraw/zinc/46/13/69/521461369.db2.gz VEOFWPDDOUCNPM-AWEZNQCLSA-N 1 0 359.430 2.958 20 5 FFBDRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000594204716 521469574 /nfs/dbraw/zinc/46/95/74/521469574.db2.gz XOKHXFBGRJYQLV-FUHWJXTLSA-N 1 0 369.425 2.527 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CCN(C4CCCCC4)C3)CC2)cn1 ZINC000602710443 521488949 /nfs/dbraw/zinc/48/89/49/521488949.db2.gz LGIIGBGJMJSFCM-QGZVFWFLSA-N 1 0 373.501 2.955 20 5 FFBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000599823851 521493178 /nfs/dbraw/zinc/49/31/78/521493178.db2.gz YRHFQRQSWMHMJG-NSHDSACASA-N 1 0 370.247 2.914 20 5 FFBDRO Nc1c(NC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cc(Cl)cc1[N+](=O)[O-] ZINC000597091639 521497813 /nfs/dbraw/zinc/49/78/13/521497813.db2.gz AWCNSTYSFNXMFT-LBPRGKRZSA-N 1 0 367.837 2.923 20 5 FFBDRO CC[NH+](CC)[C@H]1CCN(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)C1 ZINC000597101686 521507849 /nfs/dbraw/zinc/50/78/49/521507849.db2.gz LELMTTKNJWMJDR-NSHDSACASA-N 1 0 355.826 2.778 20 5 FFBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597105239 521509086 /nfs/dbraw/zinc/50/90/86/521509086.db2.gz XQCSRDCYONOJOJ-LLVKDONJSA-N 1 0 355.826 2.826 20 5 FFBDRO CN(Cc1cc(Br)c([N+](=O)[O-])s1)[C@@H]1C[NH+]2CCC1CC2 ZINC000602752920 521516724 /nfs/dbraw/zinc/51/67/24/521516724.db2.gz XESRTVAEEQFRLP-GFCCVEGCSA-N 1 0 360.277 2.945 20 5 FFBDRO COc1ccc2c(c1)CC[C@H]([NH2+]Cc1cc(OC)c(O)cc1[N+](=O)[O-])C2 ZINC000612194047 521525098 /nfs/dbraw/zinc/52/50/98/521525098.db2.gz PXEZIABPQPDTTG-HNNXBMFYSA-N 1 0 358.394 2.965 20 5 FFBDRO COc1cc(F)c([C@@H](C)[NH2+]CCn2c(C)ncc2[N+](=O)[O-])cc1OC ZINC000602806107 521543991 /nfs/dbraw/zinc/54/39/91/521543991.db2.gz OZNBNUIKTKFDNB-SNVBAGLBSA-N 1 0 352.366 2.607 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+]C1(Cc2ccc(F)cc2)CCOCC1 ZINC000602831137 521558299 /nfs/dbraw/zinc/55/82/99/521558299.db2.gz GYOSTJACCPHEKZ-UHFFFAOYSA-N 1 0 362.405 2.620 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000602835697 521560922 /nfs/dbraw/zinc/56/09/22/521560922.db2.gz CGUNHOJTMXZEQF-NVXWUHKLSA-N 1 0 363.849 2.788 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000602844494 521565091 /nfs/dbraw/zinc/56/50/91/521565091.db2.gz VBYCSUWJEXWYCG-GOSISDBHSA-N 1 0 356.426 2.953 20 5 FFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)cc1 ZINC000616013956 521603725 /nfs/dbraw/zinc/60/37/25/521603725.db2.gz JQJYVRRNTPINSZ-PZJWPPBQSA-N 1 0 369.465 2.610 20 5 FFBDRO CC(C)[N@@H+]1CCCC[C@H]1CN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000619863436 521908984 /nfs/dbraw/zinc/90/89/84/521908984.db2.gz FUDKKTIACPVLER-LPHOPBHVSA-N 1 0 374.441 2.625 20 5 FFBDRO C[C@@H](CN1CC[NH+](C)CC1)Nc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000485396629 561318385 /nfs/dbraw/zinc/31/83/85/561318385.db2.gz XMROFSWLRPXXMK-AWEZNQCLSA-N 1 0 373.432 2.844 20 5 FFBDRO CCN1CC[NH+](C[C@@H](C)CNc2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000473517944 561051761 /nfs/dbraw/zinc/05/17/61/561051761.db2.gz CIFKNWHXESOXLR-HNNXBMFYSA-N 1 0 357.458 2.829 20 5 FFBDRO C[C@@H](CNc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000736027063 598676049 /nfs/dbraw/zinc/67/60/49/598676049.db2.gz WNHUJVOSJQGDBX-ZDUSSCGKSA-N 1 0 367.413 2.707 20 5 FFBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]Cc2cc(-c3nn[nH]n3)cs2)cc1 ZINC000823634172 606222518 /nfs/dbraw/zinc/22/25/18/606222518.db2.gz BRGKXDNDXHHFAY-UHFFFAOYSA-N 1 0 358.427 2.949 20 5 FFBDRO C[N@H+](CC=Cc1ccccc1[N+](=O)[O-])Cc1ccc(-c2nn[nH]n2)cc1 ZINC000825914778 608524361 /nfs/dbraw/zinc/52/43/61/608524361.db2.gz NUSVAEYUBKCCET-GQCTYLIASA-N 1 0 350.382 2.920 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC000826497570 609345743 /nfs/dbraw/zinc/34/57/43/609345743.db2.gz MAENCTRKEHXDIU-UHFFFAOYSA-N 1 0 358.789 2.761 20 5 FFBDRO Cc1nc(Cl)nc(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)c1[N+](=O)[O-] ZINC001164725138 720331759 /nfs/dbraw/zinc/33/17/59/720331759.db2.gz LVLHYICCHOSDSM-KBPBESRZSA-N 1 0 374.832 2.595 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164727969 720334711 /nfs/dbraw/zinc/33/47/11/720334711.db2.gz VBYBQTGYGFJGHJ-GJZGRUSLSA-N 1 0 359.817 2.891 20 5 FFBDRO O=[N+]([O-])c1cnc(Cl)cc1N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164727319 720349080 /nfs/dbraw/zinc/34/90/80/720349080.db2.gz SUNFDVAHRDOQTI-KGLIPLIRSA-N 1 0 359.817 2.891 20 5 FFBDRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1nc(Cl)c(Cl)cc1[N+](=O)[O-] ZINC001164929987 721856137 /nfs/dbraw/zinc/85/61/37/721856137.db2.gz QZOFPNHINMOGGQ-NWDGAFQWSA-N 1 0 374.272 2.511 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CCCC[C@H]2CC[NH+]2CCCC2)n1 ZINC001165047960 721979090 /nfs/dbraw/zinc/97/90/90/721979090.db2.gz BWUHSZRTPKVKOB-AWEZNQCLSA-N 1 0 362.430 2.621 20 5 FFBDRO O=[N+]([O-])c1cccc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)n1 ZINC001164952005 722014658 /nfs/dbraw/zinc/01/46/58/722014658.db2.gz FSHMAZLSWDBONC-UHFFFAOYSA-N 1 0 353.426 2.877 20 5 FFBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Oc1cccc(-n2ccnc2)c1 ZINC000158993910 728898640 /nfs/dbraw/zinc/89/86/40/728898640.db2.gz HUAFGORATFQMAX-UHFFFAOYSA-N 1 0 359.363 2.857 20 5 FFBDRO C[C@H]1C[C@H](NC(=O)c2cccc([N+](=O)[O-])c2Br)CC[N@@H+]1C ZINC000159144740 728901559 /nfs/dbraw/zinc/90/15/59/728901559.db2.gz ZQHUTIDDTCVHAQ-VHSXEESVSA-N 1 0 356.220 2.570 20 5 FFBDRO Cc1ccc(C[NH2+]Cc2cccc(N(C)S(C)(=O)=O)c2)cc1[N+](=O)[O-] ZINC000898287074 735336885 /nfs/dbraw/zinc/33/68/85/735336885.db2.gz QFHSDFTXIURNJR-UHFFFAOYSA-N 1 0 363.439 2.589 20 5 FFBDRO CN(CC[C@H]1CCCC[N@@H+]1C)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000744411603 735352976 /nfs/dbraw/zinc/35/29/76/735352976.db2.gz PZIFWICWHPMFOV-CQSZACIVSA-N 1 0 368.865 2.993 20 5 FFBDRO CC[C@@H](C(=O)O[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+](CC)CC ZINC000745093532 735398790 /nfs/dbraw/zinc/39/87/90/735398790.db2.gz HKTRYMWKPUUZJD-DOMZBBRYSA-N 1 0 351.403 2.585 20 5 FFBDRO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000065668065 728159909 /nfs/dbraw/zinc/15/99/09/728159909.db2.gz NIHZFQHYXMRBPU-ZDUSSCGKSA-N 1 0 363.439 2.696 20 5 FFBDRO CC[C@H](C(=O)O[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)[NH+](CC)CC ZINC000778677293 738403776 /nfs/dbraw/zinc/40/37/76/738403776.db2.gz QDMPUAADAQXCDT-ILXRZTDVSA-N 1 0 352.435 2.939 20 5 FFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(C2OCCO2)CC1 ZINC000104682514 728502653 /nfs/dbraw/zinc/50/26/53/728502653.db2.gz SMTINRJBLDNDRZ-UHFFFAOYSA-N 1 0 350.415 2.967 20 5 FFBDRO C[C@@H](CC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)NC(=O)OC(C)(C)C ZINC000857240862 730386932 /nfs/dbraw/zinc/38/69/32/730386932.db2.gz FLRBXRAZTVUVOH-WFASDCNBSA-N 1 0 353.419 2.521 20 5 FFBDRO C[N@@H+]1CCCC[C@H](CNC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000858292936 730421936 /nfs/dbraw/zinc/42/19/36/730421936.db2.gz OHRYEJKXRUDVKH-GFCCVEGCSA-N 1 0 354.838 2.779 20 5 FFBDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2Cl)C1 ZINC000859805579 730466458 /nfs/dbraw/zinc/46/64/58/730466458.db2.gz UOMILVADOIVZFI-ZDUSSCGKSA-N 1 0 369.849 2.821 20 5 FFBDRO O=C(c1cccc([N+](=O)[O-])c1Cl)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000860095995 730475920 /nfs/dbraw/zinc/47/59/20/730475920.db2.gz INWPVKZFLXDSPF-ZDUSSCGKSA-N 1 0 367.833 2.575 20 5 FFBDRO CCN(C(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000861894737 730651398 /nfs/dbraw/zinc/65/13/98/730651398.db2.gz JEADTXZXVFXNRR-LBPRGKRZSA-N 1 0 369.849 2.958 20 5 FFBDRO O=C1[C@H](c2ccc([N+](=O)[O-])cc2)CCN1C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000863295259 730764849 /nfs/dbraw/zinc/76/48/49/730764849.db2.gz XIDKYSIKYGFDTF-IKGGRYGDSA-N 1 0 361.467 2.838 20 5 FFBDRO Cc1ccc(CNC(=O)c2csc(C3CC[NH2+]CC3)n2)cc1[N+](=O)[O-] ZINC000870961832 731581282 /nfs/dbraw/zinc/58/12/82/731581282.db2.gz GDTNGPBWMSNLEM-UHFFFAOYSA-N 1 0 360.439 2.757 20 5 FFBDRO COc1cc(C(=O)NC2CCC(C)([NH+](C)C)CC2)c([N+](=O)[O-])cc1F ZINC000871362219 731623330 /nfs/dbraw/zinc/62/33/30/731623330.db2.gz NYOUAYPYQRMYSR-UHFFFAOYSA-N 1 0 353.394 2.735 20 5 FFBDRO CCNC(=O)N1CC[C@H]([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2SC)C1 ZINC000872047414 731724035 /nfs/dbraw/zinc/72/40/35/731724035.db2.gz BNDKTCBEVRLRPZ-RYUDHWBXSA-N 1 0 352.460 2.771 20 5 FFBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC1(S(C)(=O)=O)CCC1 ZINC000872068693 731726256 /nfs/dbraw/zinc/72/62/56/731726256.db2.gz HVIDIJWDSUEQNP-LLVKDONJSA-N 1 0 358.485 2.935 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000872118845 731731339 /nfs/dbraw/zinc/73/13/39/731731339.db2.gz JZOCQKAUOVUOSG-IKKMQULASA-N 1 0 368.455 2.610 20 5 FFBDRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2csc([N+](=O)[O-])c2)cc1OC ZINC000873190559 731888691 /nfs/dbraw/zinc/88/86/91/731888691.db2.gz AVOGJTJTCMGNSS-QGZVFWFLSA-N 1 0 366.439 2.757 20 5 FFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CCc3ccc(OC(F)F)cc3)C2)c1 ZINC000876895427 732293754 /nfs/dbraw/zinc/29/37/54/732293754.db2.gz BDQMAQUWOUWESZ-UHFFFAOYSA-N 1 0 352.341 2.929 20 5 FFBDRO Cc1cc(F)cc(C(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000877016563 732312380 /nfs/dbraw/zinc/31/23/80/732312380.db2.gz OCGVNLGWKDQURU-BXKDBHETSA-N 1 0 363.311 2.642 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H](CCO)c3cccs3)CC2)cn1 ZINC000877051363 732317717 /nfs/dbraw/zinc/31/77/17/732317717.db2.gz WKJZDWQXEQDCLG-OAHLLOKOSA-N 1 0 362.455 2.733 20 5 FFBDRO C[C@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)[C@H](O)c1c(F)cccc1Cl ZINC000877069026 732320856 /nfs/dbraw/zinc/32/08/56/732320856.db2.gz VZWGGCHTNFDPBN-RGZBDWBSSA-N 1 0 368.796 2.999 20 5 FFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)c1 ZINC000877366706 732352660 /nfs/dbraw/zinc/35/26/60/732352660.db2.gz AHJOMJIOOXLRGW-LDYMZIIASA-N 1 0 363.361 2.526 20 5 FFBDRO CC(C)(C)OC(=O)C(C)(C)CC[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877597757 732395434 /nfs/dbraw/zinc/39/54/34/732395434.db2.gz XNXYNGXREKNTML-UHFFFAOYSA-N 1 0 352.435 2.842 20 5 FFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]Cc3cccc4c3OC(F)(F)O4)C2)c1 ZINC000877639429 732403515 /nfs/dbraw/zinc/40/35/15/732403515.db2.gz JPTKXEOHXHKORM-UHFFFAOYSA-N 1 0 352.297 2.606 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(C[N@@H+]2CC[C@@]3(CCOC3)C2)o1 ZINC000878185144 732495316 /nfs/dbraw/zinc/49/53/16/732495316.db2.gz FGSKWXNNIATWFI-MRXNPFEDSA-N 1 0 364.789 2.911 20 5 FFBDRO C[C@@](CO)([NH2+]C[C@H](O)c1ccc(Cl)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000879272210 732676440 /nfs/dbraw/zinc/67/64/40/732676440.db2.gz MIMPZEQAGBABPZ-IRXDYDNUSA-N 1 0 368.792 2.918 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000879561706 732723630 /nfs/dbraw/zinc/72/36/30/732723630.db2.gz SLWYFZSPQIARIF-QWHCGFSZSA-N 1 0 365.455 2.617 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N(C)CCCC[NH+](C)C ZINC000881966755 733145365 /nfs/dbraw/zinc/14/53/65/733145365.db2.gz JSSFISOLMSRBBP-UHFFFAOYSA-N 1 0 363.867 2.519 20 5 FFBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2C[C@H](O)C23CCOCC3)cc1[N+](=O)[O-] ZINC000927156068 738698139 /nfs/dbraw/zinc/69/81/39/738698139.db2.gz MRTLEZHDCMPFSM-VUCTXSBTSA-N 1 0 350.415 2.574 20 5 FFBDRO CC[C@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C1CCOCC1 ZINC000782531430 738731137 /nfs/dbraw/zinc/73/11/37/738731137.db2.gz OMCHHICPQUHHSC-HNNXBMFYSA-N 1 0 353.394 2.857 20 5 FFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1CC[C@@]2(CO[C@@H](C)C2)O1 ZINC000886768765 733829325 /nfs/dbraw/zinc/82/93/25/733829325.db2.gz HTWANDWZAYRHJK-VNVHMNPZSA-N 1 0 352.406 2.981 20 5 FFBDRO COC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1Br)[C@@H]1CCCOC1 ZINC000886916287 733858444 /nfs/dbraw/zinc/85/84/44/733858444.db2.gz RMMAABQWDPGMDO-CHWSQXEVSA-N 1 0 373.247 2.889 20 5 FFBDRO C[NH+](C)CCCn1cc(-c2csc(-c3ccc([N+](=O)[O-])cc3)n2)nn1 ZINC000887403621 733922840 /nfs/dbraw/zinc/92/28/40/733922840.db2.gz BERIFUISHNQJAM-UHFFFAOYSA-N 1 0 358.427 2.929 20 5 FFBDRO C[NH+](C)C1(CNC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CCC1 ZINC000783005216 738771978 /nfs/dbraw/zinc/77/19/78/738771978.db2.gz VXGFLWDCMVQXDY-UHFFFAOYSA-N 1 0 358.345 2.802 20 5 FFBDRO CCOc1cc(NC(=O)NCC[C@@H]2CCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000888831788 734103358 /nfs/dbraw/zinc/10/33/58/734103358.db2.gz PJTQVCNWQILEFM-ZDUSSCGKSA-N 1 0 350.419 2.847 20 5 FFBDRO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000894081740 734797906 /nfs/dbraw/zinc/79/79/06/734797906.db2.gz BGTYOZVNGPYKQT-KOLCDFICSA-N 1 0 366.361 2.526 20 5 FFBDRO COc1c(O)ccc(C[NH2+]C[C@@]2(C)OCCc3sccc32)c1[N+](=O)[O-] ZINC000894546277 734877152 /nfs/dbraw/zinc/87/71/52/734877152.db2.gz XXQVTGWDDOLZBF-QGZVFWFLSA-N 1 0 364.423 2.948 20 5 FFBDRO CC[C@@H](C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)C(=O)OC ZINC000895127239 734966295 /nfs/dbraw/zinc/96/62/95/734966295.db2.gz HIHFIPBBWFNMFS-ZETCQYMHSA-N 1 0 351.222 2.708 20 5 FFBDRO O=[N+]([O-])c1cc2c(ncnc2N[C@H]2CCC[N@@H+]3CCSC[C@H]23)s1 ZINC000895570238 735025721 /nfs/dbraw/zinc/02/57/21/735025721.db2.gz RPMCMYZRWRQWEZ-WDEREUQCSA-N 1 0 351.457 2.591 20 5 FFBDRO CC[N@@H+]1CCC[C@H]1CNC(=S)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000739437334 735051641 /nfs/dbraw/zinc/05/16/41/735051641.db2.gz MJXKHTOALNHBRD-KRWDZBQOSA-N 1 0 364.515 2.866 20 5 FFBDRO COC(=O)c1cnc(CC[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000896929605 735188557 /nfs/dbraw/zinc/18/85/57/735188557.db2.gz FORIPMYFFVWROI-UHFFFAOYSA-N 1 0 355.803 2.824 20 5 FFBDRO CC[C@](O)(CCC(F)(F)F)C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000897519924 735242270 /nfs/dbraw/zinc/24/22/70/735242270.db2.gz XEIHYJLOGDKHHF-XIVSLSHWSA-N 1 0 350.341 2.568 20 5 FFBDRO C[N@@H+]1CCCN(C(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)CC1 ZINC000899936552 735570982 /nfs/dbraw/zinc/57/09/82/735570982.db2.gz ZOYHPYKQCCZVRS-UHFFFAOYSA-N 1 0 350.177 2.818 20 5 FFBDRO CC[C@H]([NH2+]CC1(O)CCC2(CC1)OCCO2)c1cccc([N+](=O)[O-])c1 ZINC000903374102 736084689 /nfs/dbraw/zinc/08/46/89/736084689.db2.gz HKZIOSNPLALMRN-INIZCTEOSA-N 1 0 350.415 2.684 20 5 FFBDRO CC[N@@H+]1CCN([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C[C@H]1C ZINC000754389009 736154983 /nfs/dbraw/zinc/15/49/83/736154983.db2.gz XOPULNIVZMGOGF-VXGBXAGGSA-N 1 0 354.838 2.601 20 5 FFBDRO C[C@H](C[NH2+]CCS(=O)(=O)c1ccc(F)cc1)c1ccccc1[N+](=O)[O-] ZINC000905643233 736374854 /nfs/dbraw/zinc/37/48/54/736374854.db2.gz KOABGDIYJZHLIZ-CYBMUJFWSA-N 1 0 366.414 2.901 20 5 FFBDRO CC[N@@H+]1CCC[C@H](CNC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000756963375 736377975 /nfs/dbraw/zinc/37/79/75/736377975.db2.gz AAUIDXZMBFKDKH-GFCCVEGCSA-N 1 0 354.838 2.779 20 5 FFBDRO CC1=CC[N@H+](CCNC(=O)c2cccc([N+](=O)[O-])c2Br)CC1 ZINC000760866306 736675693 /nfs/dbraw/zinc/67/56/93/736675693.db2.gz KGSWCVFNHIRWRD-UHFFFAOYSA-N 1 0 368.231 2.739 20 5 FFBDRO COC(=O)CC(C)(C)[NH2+]Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000761197227 736706184 /nfs/dbraw/zinc/70/61/84/736706184.db2.gz ACTMYQNCSYMOGC-UHFFFAOYSA-N 1 0 362.329 2.636 20 5 FFBDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000764279165 737007501 /nfs/dbraw/zinc/00/75/01/737007501.db2.gz KQMXERCWJPCKIF-AWEZNQCLSA-N 1 0 369.849 2.821 20 5 FFBDRO CC[N@@H+]1CCCN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000910285417 737053059 /nfs/dbraw/zinc/05/30/59/737053059.db2.gz YSZVSSPAUNPWOV-LLVKDONJSA-N 1 0 357.357 2.753 20 5 FFBDRO Cc1sc(C(=O)N2CCC(C[N@@H+](CCO)C(C)C)CC2)cc1[N+](=O)[O-] ZINC000910857819 737140294 /nfs/dbraw/zinc/14/02/94/737140294.db2.gz XBRKQQKMYCMMHN-UHFFFAOYSA-N 1 0 369.487 2.520 20 5 FFBDRO CCOc1ccc([C@@H](C)[NH2+][C@H]2CCCN(C(=O)OC)C2)cc1[N+](=O)[O-] ZINC000768100923 737397800 /nfs/dbraw/zinc/39/78/00/737397800.db2.gz GCCFGXFNHAXKBF-OCCSQVGLSA-N 1 0 351.403 2.875 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CCC(C)([NH+](C)C)CC2)cc1SC ZINC000913398600 737398949 /nfs/dbraw/zinc/39/89/49/737398949.db2.gz MIOWZOJHIVGLLW-UHFFFAOYSA-N 1 0 367.471 2.882 20 5 FFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N(C)CCCC[NH+](C)C ZINC000769907821 737582762 /nfs/dbraw/zinc/58/27/62/737582762.db2.gz MQVFTFKJEARNPQ-UHFFFAOYSA-N 1 0 363.867 2.519 20 5 FFBDRO CC[N@@H+]1CCC[C@H]1CNC(=S)NNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000916022619 737672621 /nfs/dbraw/zinc/67/26/21/737672621.db2.gz MFPZNPOMVCACAO-NSHDSACASA-N 1 0 357.867 2.524 20 5 FFBDRO C[C@](O)(C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)c1ccsc1 ZINC000774196287 737967995 /nfs/dbraw/zinc/96/79/95/737967995.db2.gz AEEWFRZAYOWAQT-YCPHGPKFSA-N 1 0 350.444 2.834 20 5 FFBDRO CS[C@@H]1CN(c2cc(Br)ccc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000774536113 737998837 /nfs/dbraw/zinc/99/88/37/737998837.db2.gz IPRCITZOPYEYHJ-CHWSQXEVSA-N 1 0 360.277 2.839 20 5 FFBDRO CSCc1ccc(C[NH2+][C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000921747758 738036574 /nfs/dbraw/zinc/03/65/74/738036574.db2.gz ZIHGGHOOKVFLOI-QZTJIDSGSA-N 1 0 362.451 2.642 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N2CCC(C)([NH+]3CCC3)CC2)c1F ZINC000922170116 738100255 /nfs/dbraw/zinc/10/02/55/738100255.db2.gz SCPWZKYPFVWTFC-UHFFFAOYSA-N 1 0 353.369 2.882 20 5 FFBDRO C[C@H](NC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000922643840 738178636 /nfs/dbraw/zinc/17/86/36/738178636.db2.gz BVYCFPQPSSROPY-APHBMKBZSA-N 1 0 364.471 2.535 20 5 FFBDRO COc1cc(C[NH2+]CC[C@H]2CC[C@H](C(F)(F)F)O2)c([N+](=O)[O-])cc1O ZINC000922679360 738183627 /nfs/dbraw/zinc/18/36/27/738183627.db2.gz QGEDTSSBXIVPFD-QMTHXVAHSA-N 1 0 364.320 2.899 20 5 FFBDRO CCOC(=O)CCC1CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776590923 738212170 /nfs/dbraw/zinc/21/21/70/738212170.db2.gz MGBVBXSPOXUUFG-QGZVFWFLSA-N 1 0 350.415 2.684 20 5 FFBDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000923276694 738265240 /nfs/dbraw/zinc/26/52/40/738265240.db2.gz HIPXVVFFZZURRI-QWHCGFSZSA-N 1 0 368.231 2.666 20 5 FFBDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000923284678 738266469 /nfs/dbraw/zinc/26/64/69/738266469.db2.gz RKLVPWMACUJEKE-CMPLNLGQSA-N 1 0 368.231 2.666 20 5 FFBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000777969813 738337043 /nfs/dbraw/zinc/33/70/43/738337043.db2.gz UAFGFGKTKRMMKQ-UHFFFAOYSA-N 1 0 373.450 2.585 20 5 FFBDRO O=C(NCCC[NH+]1CCCCCC1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000778220777 738364865 /nfs/dbraw/zinc/36/48/65/738364865.db2.gz CMZLFZXNZHDTTQ-UHFFFAOYSA-N 1 0 363.443 2.595 20 5 FFBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@@H](O)c3ccc(Cl)c(F)c3)CC2)n1 ZINC000785861744 739005222 /nfs/dbraw/zinc/00/52/22/739005222.db2.gz ICBUVIHZIFHTIT-OAHLLOKOSA-N 1 0 368.796 2.954 20 5 FFBDRO C[N@H+]1C[C@H]2CN(C(=O)Nc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)C[C@H]2C1 ZINC000930769774 739160207 /nfs/dbraw/zinc/16/02/07/739160207.db2.gz ORMWJCBOEXGTSZ-AOOOYVTPSA-N 1 0 358.320 2.639 20 5 FFBDRO COC(=O)N1CCC([C@H](C)[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000788762445 739281267 /nfs/dbraw/zinc/28/12/67/739281267.db2.gz GZEDOSJOELBKCE-NWDGAFQWSA-N 1 0 350.419 2.695 20 5 FFBDRO CN(C(=O)CCc1c(Cl)cccc1[N+](=O)[O-])[C@@H]1C[NH+]2CCC1CC2 ZINC000932538884 739466650 /nfs/dbraw/zinc/46/66/50/739466650.db2.gz KRCZFEUXOZTIEE-MRXNPFEDSA-N 1 0 351.834 2.733 20 5 FFBDRO CC(C)[C@@H](C(=O)OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000791931986 739617802 /nfs/dbraw/zinc/61/78/02/739617802.db2.gz SVTNIQYIXJELPL-HNNXBMFYSA-N 1 0 351.359 2.667 20 5 FFBDRO C[C@@H]1C[C@H](NC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000934392850 739780476 /nfs/dbraw/zinc/78/04/76/739780476.db2.gz CYLOKQWSEZAZSV-NEPJUHHUSA-N 1 0 351.834 2.922 20 5 FFBDRO CC(C)C[N@H+](C)CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000795411609 740017888 /nfs/dbraw/zinc/01/78/88/740017888.db2.gz AFUFIIBOSZVZQX-UHFFFAOYSA-N 1 0 356.220 2.858 20 5 FFBDRO CN(C)C(=O)OC[C@@H]1CCCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000796548518 740152162 /nfs/dbraw/zinc/15/21/62/740152162.db2.gz NIDAUGKSAYPPHU-HNNXBMFYSA-N 1 0 351.403 2.526 20 5 FFBDRO COC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000797520941 740253167 /nfs/dbraw/zinc/25/31/67/740253167.db2.gz RAKWBEJYTQQTDD-TZMCWYRMSA-N 1 0 351.403 2.560 20 5 FFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(CC1)CC[NH+](Cc1ccsc1)CC2 ZINC000957547363 740545460 /nfs/dbraw/zinc/54/54/60/740545460.db2.gz CZVVIAORSXNAKG-HZPDHXFCSA-N 1 0 363.483 2.618 20 5 FFBDRO CC(C)(C)OC(=O)NC(C)(C)CN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000809728073 741337463 /nfs/dbraw/zinc/33/74/63/741337463.db2.gz JHVBMHHIFIJNLL-UHFFFAOYSA-N 1 0 352.435 2.663 20 5 FFBDRO COc1cc(COC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000810704896 741442932 /nfs/dbraw/zinc/44/29/32/741442932.db2.gz WWWSGPLBEVBAQY-QGZVFWFLSA-N 1 0 354.378 2.859 20 5 FFBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000811583844 741540534 /nfs/dbraw/zinc/54/05/34/741540534.db2.gz CCFLGXJAMHRYBF-NSHDSACASA-N 1 0 352.391 2.662 20 5 FFBDRO CC1(C)CCC(C[NH2+]CC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1 ZINC000997771377 742024725 /nfs/dbraw/zinc/02/47/25/742024725.db2.gz GVHLDVHMTLKENX-IAGOWNOFSA-N 1 0 351.491 2.696 20 5 FFBDRO Cc1cc(C[NH+]2CCC(C3(NC(=O)[C@@H]4C[C@H]4[N+](=O)[O-])CC3)CC2)cs1 ZINC001000155525 742077888 /nfs/dbraw/zinc/07/78/88/742077888.db2.gz SGHORZUKUOPVLM-HZPDHXFCSA-N 1 0 363.483 2.583 20 5 FFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000818534578 742277392 /nfs/dbraw/zinc/27/73/92/742277392.db2.gz RGMKVPYEYMMHFF-CYBMUJFWSA-N 1 0 359.451 2.893 20 5 FFBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])C[C@@H]21 ZINC000818574624 742279803 /nfs/dbraw/zinc/27/98/03/742279803.db2.gz KMVPUKJGYUHTHP-OLUVUFQESA-N 1 0 355.797 2.516 20 5 FFBDRO CC[C@@H]1CN(C)CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000818972177 742317704 /nfs/dbraw/zinc/31/77/04/742317704.db2.gz TUQRNICFYIVJRP-SNVBAGLBSA-N 1 0 374.210 2.663 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCc2nc(C(F)(F)F)cs2)cc1 ZINC000819123957 742340286 /nfs/dbraw/zinc/34/02/86/742340286.db2.gz HXKIEKVYBZPKPR-LLVKDONJSA-N 1 0 361.345 2.936 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@H]2CCN(c3ncccc3Cl)C2)cc1 ZINC000819156153 742345031 /nfs/dbraw/zinc/34/50/31/742345031.db2.gz YUWIMUOAMSXUFV-BBRMVZONSA-N 1 0 362.817 2.545 20 5 FFBDRO CC[C@@](C)(C(=O)OC)[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)CC1CC1 ZINC000823503512 742928636 /nfs/dbraw/zinc/92/86/36/742928636.db2.gz UGGZPJWUNDKVDP-WMZOPIPTSA-N 1 0 350.415 2.682 20 5 FFBDRO C[NH+](C)CCN(Cc1ccsc1)C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823927427 743001771 /nfs/dbraw/zinc/00/17/71/743001771.db2.gz XGUYHVFFYVVWST-UHFFFAOYSA-N 1 0 363.443 2.834 20 5 FFBDRO CCN(C)C(=O)[C@@H]([NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1)C(C)C ZINC000824677924 743128180 /nfs/dbraw/zinc/12/81/80/743128180.db2.gz LHUVSHUFNZZGAE-AWEZNQCLSA-N 1 0 372.263 2.950 20 5 FFBDRO Cn1ccnc1[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CCO1 ZINC000825327500 743249529 /nfs/dbraw/zinc/24/95/29/743249529.db2.gz SNSCQGQJXCRKRS-WFASDCNBSA-N 1 0 350.806 2.992 20 5 FFBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)CC[C@H]21 ZINC000827296193 743549798 /nfs/dbraw/zinc/54/97/98/743549798.db2.gz CUGGXENDNKZWTD-QMTHXVAHSA-N 1 0 357.332 2.780 20 5 FFBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)c1ccc2c(c1)CC[NH2+]CC2 ZINC000831217692 745499929 /nfs/dbraw/zinc/49/99/29/745499929.db2.gz HDUGWBRRNHTAAB-UHFFFAOYSA-N 1 0 359.813 2.866 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(C(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1Cl ZINC000836271702 746179122 /nfs/dbraw/zinc/17/91/22/746179122.db2.gz NMVHKAMYUIIZHU-BETUJISGSA-N 1 0 369.849 2.786 20 5 FFBDRO CC(C)[N@@H+]1CCCC[C@@H]1COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000837436459 746445377 /nfs/dbraw/zinc/44/53/77/746445377.db2.gz BEFKYOSOKPPSMY-CYBMUJFWSA-N 1 0 351.359 2.923 20 5 FFBDRO CC[C@H](C)[NH+]1CCN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000838514475 746655876 /nfs/dbraw/zinc/65/58/76/746655876.db2.gz UGVQBVMZSWHUKN-LBPRGKRZSA-N 1 0 354.838 2.874 20 5 FFBDRO CO[C@@H]1C[C@H]([NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C12CCC2 ZINC000839188431 746798336 /nfs/dbraw/zinc/79/83/36/746798336.db2.gz CUESNVFXAZUEJT-LSDHHAIUSA-N 1 0 351.378 2.610 20 5 FFBDRO CC[N@H+](CC(=O)N[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F)C1CC1 ZINC000839864378 746946256 /nfs/dbraw/zinc/94/62/56/746946256.db2.gz RVFAKHZZXRPXPX-AWEZNQCLSA-N 1 0 363.311 2.938 20 5 FFBDRO CN(C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)C1CCC([NH3+])CC1 ZINC000841065955 747263070 /nfs/dbraw/zinc/26/30/70/747263070.db2.gz OHQKFZGOBUACJA-UHFFFAOYSA-N 1 0 358.345 2.930 20 5 FFBDRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000841099380 747269038 /nfs/dbraw/zinc/26/90/38/747269038.db2.gz JHIPKGBXPBIXEM-WBVHZDCISA-N 1 0 353.850 2.967 20 5 FFBDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841162326 747285103 /nfs/dbraw/zinc/28/51/03/747285103.db2.gz UHFITHTWQKREMB-BDAKNGLRSA-N 1 0 357.208 2.558 20 5 FFBDRO [NH3+]C[C@@H](NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)C1CCCCC1 ZINC000841854574 747477102 /nfs/dbraw/zinc/47/71/02/747477102.db2.gz CEFYGXWNTXQTMG-OAHLLOKOSA-N 1 0 354.838 2.955 20 5 FFBDRO O=C(CN1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000842474204 747612425 /nfs/dbraw/zinc/61/24/25/747612425.db2.gz JPLNHULHDUJAKV-IUODEOHRSA-N 1 0 366.849 2.651 20 5 FFBDRO C[C@H](N[C@@H]1[C@H](C)CC[NH2+][C@@H]1C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000842476534 747613315 /nfs/dbraw/zinc/61/33/15/747613315.db2.gz QPQKLMLONXFBSD-YYHMBLRTSA-N 1 0 354.838 2.551 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@@H](O)c2cc(F)cc(Cl)c2)cc1 ZINC000843111731 747773957 /nfs/dbraw/zinc/77/39/57/747773957.db2.gz NSRMCROXXSTGGH-HZPDHXFCSA-N 1 0 354.765 2.744 20 5 FFBDRO CCCN(CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000843360632 747817750 /nfs/dbraw/zinc/81/77/50/747817750.db2.gz DVPOMINUQSANPC-UHFFFAOYSA-N 1 0 354.838 2.651 20 5 FFBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000843504066 747845346 /nfs/dbraw/zinc/84/53/46/747845346.db2.gz NYSUBMLNDMDDDK-NSHDSACASA-N 1 0 355.797 2.721 20 5 FFBDRO COCCN1CCN(C(=O)c2cc(Cl)c(C)cc2[N+](=O)[O-])C(C)(C)C1 ZINC000844950031 748143696 /nfs/dbraw/zinc/14/36/96/748143696.db2.gz ZIRPHOGNUKMSMQ-UHFFFAOYSA-N 1 0 369.849 2.739 20 5 FFBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)OC[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000845818495 748331018 /nfs/dbraw/zinc/33/10/18/748331018.db2.gz USWKFRKBZCUDOB-OLZOCXBDSA-N 1 0 368.455 2.830 20 5 FFBDRO C[NH+](C)C[C@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000846131697 748413951 /nfs/dbraw/zinc/41/39/51/748413951.db2.gz RKTGMEQHNNKYSD-AWEZNQCLSA-N 1 0 355.866 2.937 20 5 FFBDRO [NH3+]CC12CCC(CC1)CN2C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000846681016 748523431 /nfs/dbraw/zinc/52/34/31/748523431.db2.gz XLBLZGNICAARAS-UHFFFAOYSA-N 1 0 355.797 2.660 20 5 FFBDRO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])C2 ZINC000846687749 748524172 /nfs/dbraw/zinc/52/41/72/748524172.db2.gz FSHUVQGHXBWMME-ZBEGNZNMSA-N 1 0 355.797 2.517 20 5 FFBDRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)c3cccc(Cl)c3[N+](=O)[O-])C2)C1 ZINC000846687325 748524353 /nfs/dbraw/zinc/52/43/53/748524353.db2.gz CUWOOXRRKTVNCD-ZOWXZIJZSA-N 1 0 367.833 2.607 20 5 FFBDRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000847256366 748663154 /nfs/dbraw/zinc/66/31/54/748663154.db2.gz PQAUIAJXFKYYSM-CABCVRRESA-N 1 0 353.369 2.820 20 5 FFBDRO O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000848768313 749003546 /nfs/dbraw/zinc/00/35/46/749003546.db2.gz XXSRFKQEFDZTCV-DTWKUNHWSA-N 1 0 365.739 2.522 20 5 FFBDRO Cc1cc(Cl)c(S(=O)(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)cc1[N+](=O)[O-] ZINC000850592514 749392738 /nfs/dbraw/zinc/39/27/38/749392738.db2.gz TYMXAXNZEXTBDD-LLVKDONJSA-N 1 0 373.862 2.510 20 5 FFBDRO COC(CC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1)OC ZINC000852204098 749801391 /nfs/dbraw/zinc/80/13/91/749801391.db2.gz KMRIHPKWIXIYDE-WKILWMFISA-N 1 0 352.431 2.709 20 5 FFBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1CN1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000852707356 749930373 /nfs/dbraw/zinc/93/03/73/749930373.db2.gz GSDTVRMQQOCIRE-AWEZNQCLSA-N 1 0 374.268 2.933 20 5 FFBDRO CCC[N@H+](C)CC(C)(C)NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000852715377 749930970 /nfs/dbraw/zinc/93/09/70/749930970.db2.gz KOSHWTKGFSSTGH-UHFFFAOYSA-N 1 0 356.854 2.897 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N2CCC[C@]3(CC[N@@H+](C)C3)C2)c1F ZINC000854735303 750361336 /nfs/dbraw/zinc/36/13/36/750361336.db2.gz NARIDLIPUIBSHP-QGZVFWFLSA-N 1 0 353.369 2.739 20 5 FFBDRO C[N@@H+]1CC[C@H](C(=O)NCCc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1 ZINC000895842501 970992913 /nfs/dbraw/zinc/99/29/13/970992913.db2.gz GKQFZQFDKGXGPL-OALUTQOASA-N 1 0 353.422 2.947 20 5 FFBDRO Cc1cc(N2CCO[C@H](c3ccnn3C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000896831597 971789300 /nfs/dbraw/zinc/78/93/00/971789300.db2.gz ILLBGFGUSYPSDH-SFHVURJKSA-N 1 0 353.382 2.763 20 5 FFBDRO C[NH2+]Cc1c(C)nn(-c2nc(C(F)(F)F)nc(Cl)c2[N+](=O)[O-])c1C ZINC001167098170 960013198 /nfs/dbraw/zinc/01/31/98/960013198.db2.gz ATKALQQSIBSLOL-UHFFFAOYSA-N 1 0 364.715 2.579 20 5 FFBDRO CN(C(=O)CN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000134896523 960100657 /nfs/dbraw/zinc/10/06/57/960100657.db2.gz WNZXZSBSQSZGGJ-BEFAXECRSA-N 1 0 372.469 2.506 20 5 FFBDRO COc1cc(C)nc(N2Cc3ccccc3C3(CC[NH2+]CC3)C2)c1[N+](=O)[O-] ZINC001167160639 960336106 /nfs/dbraw/zinc/33/61/06/960336106.db2.gz VRNCQNVGEQJZPV-UHFFFAOYSA-N 1 0 368.437 2.948 20 5 FFBDRO CN(C)c1cc(F)c(C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000825624449 1013257718 /nfs/dbraw/zinc/25/77/18/1013257718.db2.gz MOUDSUDXLCRDTJ-UHFFFAOYSA-N 1 0 366.437 2.746 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC(C)(C)[C@H]1COCC12OCCO2 ZINC000873130471 1013395441 /nfs/dbraw/zinc/39/54/41/1013395441.db2.gz DQINYVDHLFGBNM-QGZVFWFLSA-N 1 0 364.442 2.717 20 5 FFBDRO Cn1ccnc1[C@@H](NC[C@H]1CCC(C)(C)C[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC000873236744 1013438249 /nfs/dbraw/zinc/43/82/49/1013438249.db2.gz JJYKUFBPOMXPLQ-WBVHZDCISA-N 1 0 357.458 2.786 20 5 FFBDRO Cc1cccc(C)c1N(C[C@@H](C)[NH+](C)C)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000891570412 964504198 /nfs/dbraw/zinc/50/41/98/964504198.db2.gz ZIQPGVPYYUSBRZ-MRXNPFEDSA-N 1 0 373.457 2.782 20 5 FFBDRO CCc1ccc([C@H]2C[NH2+]CCN2C(=O)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000261950246 964964093 /nfs/dbraw/zinc/96/40/93/964964093.db2.gz LLQGHGSEUKEKCY-GOSISDBHSA-N 1 0 354.410 2.526 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1CCC[C@]12CCCO2 ZINC001175687629 1013539884 /nfs/dbraw/zinc/53/98/84/1013539884.db2.gz JOVBXSXTVFBLJE-AEFFLSMTSA-N 1 0 363.414 2.623 20 5 FFBDRO CCOc1ccc(NC(=O)C[NH2+]C2([C@H]3CCCCO3)CC2)c([N+](=O)[O-])c1 ZINC001176431646 1013698331 /nfs/dbraw/zinc/69/83/31/1013698331.db2.gz HWQMRMLHBBREEK-MRXNPFEDSA-N 1 0 363.414 2.623 20 5 FFBDRO NC(=O)[C@]1(c2ccccc2)CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000895005297 967151006 /nfs/dbraw/zinc/15/10/06/967151006.db2.gz WYXWEVQTOQVBML-LQOHYYORSA-N 1 0 351.406 2.737 20 5 FFBDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1cnn(CC2CCC2)c1 ZINC001176849388 1013794987 /nfs/dbraw/zinc/79/49/87/1013794987.db2.gz MYPZOLWZGSFRJA-RHSMWYFYSA-N 1 0 374.441 2.682 20 5 FFBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000895265174 968863134 /nfs/dbraw/zinc/86/31/34/968863134.db2.gz KEIYAWPYXAFKJX-GFCCVEGCSA-N 1 0 358.373 2.788 20 5 FFBDRO C[NH+](C)CCOC1CCN(c2c3cc(F)ccc3ncc2[N+](=O)[O-])CC1 ZINC000892486334 969106903 /nfs/dbraw/zinc/10/69/03/969106903.db2.gz ULRSGHVJZIMAED-UHFFFAOYSA-N 1 0 362.405 2.829 20 5 FFBDRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000065931783 969161615 /nfs/dbraw/zinc/16/16/15/969161615.db2.gz DFLCDVDJJGDMEX-UHFFFAOYSA-N 1 0 360.389 2.520 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(Br)c(O[C@H]2CCC[NH2+]C[C@@H]2F)c1 ZINC001217951730 969205489 /nfs/dbraw/zinc/20/54/89/969205489.db2.gz QNFMREXIXNEGCR-UWVGGRQHSA-N 1 0 351.147 2.965 20 5 FFBDRO CCC[N@H+](C)C[C@@H]1CCN(c2ccc(CC(=O)OCC)cc2[N+](=O)[O-])C1 ZINC000825791132 1014026477 /nfs/dbraw/zinc/02/64/77/1014026477.db2.gz ZWAMYQMFRIPQDI-INIZCTEOSA-N 1 0 363.458 2.869 20 5 FFBDRO C[C@H](CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1[N+](=O)[O-] ZINC000897058133 973203509 /nfs/dbraw/zinc/20/35/09/973203509.db2.gz MHJQQQRKPIDAGX-JZWPEALZSA-N 1 0 360.458 2.965 20 5 FFBDRO C[C@@H](CNC(=O)N1CC[N@@H+](C2CC2)C[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000897064523 973215666 /nfs/dbraw/zinc/21/56/66/973215666.db2.gz YZWKKIVIQPHWLT-CABCVRRESA-N 1 0 360.458 2.824 20 5 FFBDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000825827643 1014092371 /nfs/dbraw/zinc/09/23/71/1014092371.db2.gz WZOYLLWBUYIQMR-PBHICJAKSA-N 1 0 363.458 2.645 20 5 FFBDRO C[C@@H](CNC(=O)N1CCN(c2cc[nH+]cc2)CC1)c1ccccc1[N+](=O)[O-] ZINC000897076203 973233410 /nfs/dbraw/zinc/23/34/10/973233410.db2.gz WHNPMWKUALOSDJ-HNNXBMFYSA-N 1 0 369.425 2.625 20 5 FFBDRO CCOC(=O)Cc1ccc(N2CC[C@H](C)[C@@H](n3ccnc3)C2)c([N+](=O)[O-])c1 ZINC000825832341 1014095347 /nfs/dbraw/zinc/09/53/47/1014095347.db2.gz ORJCXAYKSYHRCZ-KSSFIOAISA-N 1 0 372.425 2.984 20 5 FFBDRO CC(C)(C)Oc1cc(N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)ccc1[N+](=O)[O-] ZINC000897221810 973461156 /nfs/dbraw/zinc/46/11/56/973461156.db2.gz OWVNAUDDDQJVKT-JKSUJKDBSA-N 1 0 363.458 2.808 20 5 FFBDRO CC(C)(C)CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001271764301 974308147 /nfs/dbraw/zinc/30/81/47/974308147.db2.gz KQDWFBGEHYGHKC-QBPKDAKJSA-N 1 0 353.507 2.990 20 5 FFBDRO COC(=O)c1cc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)ccc1C ZINC001167778995 974334159 /nfs/dbraw/zinc/33/41/59/974334159.db2.gz NRDYZFKLOQPBLX-OAHLLOKOSA-N 1 0 370.409 2.771 20 5 FFBDRO CC[NH+]1CCN(c2cc(N(C)C(=O)c3ccco3)cc([N+](=O)[O-])c2)CC1 ZINC000876230524 1014190674 /nfs/dbraw/zinc/19/06/74/1014190674.db2.gz DNCMBDHTJJZVPI-UHFFFAOYSA-N 1 0 358.398 2.606 20 5 FFBDRO CCCC[N@H+](C)CC1CCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000825887745 1014306273 /nfs/dbraw/zinc/30/62/73/1014306273.db2.gz QTZQNKUJBGKYPH-GOSISDBHSA-N 1 0 363.458 2.599 20 5 FFBDRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC000899199339 977009968 /nfs/dbraw/zinc/00/99/68/977009968.db2.gz HDNQCHXQMVLBMW-HOTGVXAUSA-N 1 0 354.410 2.639 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CCC([C@H](O)c2nccn2C)CC1 ZINC000876741888 1014372829 /nfs/dbraw/zinc/37/28/29/1014372829.db2.gz LRMRKTMSZDQLLX-SFHVURJKSA-N 1 0 358.442 2.891 20 5 FFBDRO C[C@]12CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@]1(C)C[N@H+](CCC1=CCCCC1)C2 ZINC000982279009 977376252 /nfs/dbraw/zinc/37/62/52/977376252.db2.gz XTGMHPSJPMZXNM-LFGUQSLTSA-N 1 0 361.486 2.713 20 5 FFBDRO C[NH+](C)CCOc1ccc(CCNc2nc3ccccn3c2[N+](=O)[O-])cc1 ZINC000729183773 978196402 /nfs/dbraw/zinc/19/64/02/978196402.db2.gz RIQKDVQJCUWJGS-UHFFFAOYSA-N 1 0 369.425 2.838 20 5 FFBDRO CC[C@@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)[C@H](O)c1c(F)cccc1F ZINC000877064118 1014465767 /nfs/dbraw/zinc/46/57/67/1014465767.db2.gz NEQDOGRBLMHQSI-WZNFMNEHSA-N 1 0 366.368 2.875 20 5 FFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@@H]3CCN(c4c(F)cccc4F)C3)C2)c1 ZINC000877110901 1014477305 /nfs/dbraw/zinc/47/73/05/1014477305.db2.gz FYHVHVIJLQZEAF-PNESKVBLSA-N 1 0 363.368 2.642 20 5 FFBDRO C[C@](N)(C(=O)N1CCC(C)([NH+]2CCCCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000877301649 1014542334 /nfs/dbraw/zinc/54/23/34/1014542334.db2.gz YREVVQCNIXHNCG-HXUWFJFHSA-N 1 0 374.485 2.636 20 5 FFBDRO C[C@H](C[N+](C)(C)C)Oc1ccc([N+](=O)[O-])c(I)c1 ZINC001227992255 979085434 /nfs/dbraw/zinc/08/54/34/979085434.db2.gz NVVAWWQCFQRUDI-SECBINFHSA-N 1 0 365.191 2.673 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CC[C@H]2CCC3(CCOCC3)CO2)cc1 ZINC000905474879 980442171 /nfs/dbraw/zinc/44/21/71/980442171.db2.gz WPGMENAVMHPDQV-QZTJIDSGSA-N 1 0 364.442 2.584 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CCc1ccc2ncccc2c1 ZINC000905521004 980461618 /nfs/dbraw/zinc/46/16/18/980461618.db2.gz NSOKSYOYPZCUCK-QGZVFWFLSA-N 1 0 367.405 2.715 20 5 FFBDRO O=C(C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)N1CCCCc2ccccc21 ZINC000905610560 980476967 /nfs/dbraw/zinc/47/69/67/980476967.db2.gz SQKHZYPKCCFDOK-LJQANCHMSA-N 1 0 369.421 2.587 20 5 FFBDRO Cc1nn(C[N@H+]2CCC[C@@H](c3ccn(C)n3)C2)c2cc([N+](=O)[O-])ccc12 ZINC000905715997 980496166 /nfs/dbraw/zinc/49/61/66/980496166.db2.gz NHLBCRXCQPZRBY-CQSZACIVSA-N 1 0 354.414 2.824 20 5 FFBDRO O=c1oc2cccc([N+](=O)[O-])c2n1CN1CCC[C@@H](Cc2nccs2)C1 ZINC000905733878 980501347 /nfs/dbraw/zinc/50/13/47/980501347.db2.gz JXCZVYJSQSIQRF-LBPRGKRZSA-N 1 0 374.422 2.871 20 5 FFBDRO CO[C@H]1C[C@H]2C[N@H+](CCc3ccc([N+](=O)[O-])cc3)Cc3cccnc3N2C1 ZINC000877686908 1014678519 /nfs/dbraw/zinc/67/85/19/1014678519.db2.gz ATCVMPLETVOBRQ-OALUTQOASA-N 1 0 368.437 2.642 20 5 FFBDRO COCC[NH+]1CCC(Oc2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC001229146591 981167342 /nfs/dbraw/zinc/16/73/42/981167342.db2.gz VKPIFKDZEDXTIE-UHFFFAOYSA-N 1 0 359.220 2.847 20 5 FFBDRO O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC000908249041 981399755 /nfs/dbraw/zinc/39/97/55/981399755.db2.gz JVEDGUKYRDHJTM-KSSFIOAISA-N 1 0 356.426 2.752 20 5 FFBDRO COc1ccc(OC)c([C@@H](O)[C@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000877832348 1014747430 /nfs/dbraw/zinc/74/74/30/1014747430.db2.gz KMEUFSZPGREKQE-DJJJIMSYSA-N 1 0 360.410 2.866 20 5 FFBDRO C[NH+](C)CC1CCC(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000130340174 982117111 /nfs/dbraw/zinc/11/71/11/982117111.db2.gz LWZDMXXBSQAUDI-UHFFFAOYSA-N 1 0 371.441 2.631 20 5 FFBDRO C[C@@]1([NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CCNC1=O ZINC000897872630 982541973 /nfs/dbraw/zinc/54/19/73/982541973.db2.gz JQWPFEXQRQRITF-GOSISDBHSA-N 1 0 359.357 2.894 20 5 FFBDRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1cc3ccccc3c([N+](=O)[O-])c1N)C2 ZINC000897877068 982542149 /nfs/dbraw/zinc/54/21/49/982542149.db2.gz SXUBKCCIKZVNHR-FQEVSTJZSA-N 1 0 368.437 2.888 20 5 FFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000046403977 984675504 /nfs/dbraw/zinc/67/55/04/984675504.db2.gz DLYZGVVQLLAABA-UHFFFAOYSA-N 1 0 369.425 2.692 20 5 FFBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000046721502 984777590 /nfs/dbraw/zinc/77/75/90/984777590.db2.gz FWHWVAIBQPYCTI-UHFFFAOYSA-N 1 0 372.425 2.854 20 5 FFBDRO Cc1nn(C[N@H+]2CC[C@@H](Cc3cnn(C)c3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000765055868 984947954 /nfs/dbraw/zinc/94/79/54/984947954.db2.gz PYDSQYZBTMVBRQ-AWEZNQCLSA-N 1 0 354.414 2.509 20 5 FFBDRO Cc1nn(C[N@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000765084592 984956393 /nfs/dbraw/zinc/95/63/93/984956393.db2.gz WEDJSFZCPNKNSV-UGSOOPFHSA-N 1 0 354.414 2.990 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(N3CC[NH+](C)CC3)ccn2)c1C ZINC000913664840 986800971 /nfs/dbraw/zinc/80/09/71/986800971.db2.gz BVLSKNTXUPVLKT-UHFFFAOYSA-N 1 0 369.425 2.611 20 5 FFBDRO O=C1[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CCCN1Cc1ccccn1 ZINC000761531143 987285701 /nfs/dbraw/zinc/28/57/01/987285701.db2.gz AWOOCVRTTYDJLJ-MRXNPFEDSA-N 1 0 374.828 2.924 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC001212496818 987775774 /nfs/dbraw/zinc/77/57/74/987775774.db2.gz FLSJWXFCASMFPT-OAHLLOKOSA-N 1 0 369.487 2.610 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ncn(CN3CCC[C@@H]([NH+]4CCCC4)CC3)n2)cc1 ZINC000153463910 988206426 /nfs/dbraw/zinc/20/64/26/988206426.db2.gz VKGSNDHEFYQBPE-QGZVFWFLSA-N 1 0 370.457 2.761 20 5 FFBDRO Cc1cccc(C(=O)N2CC[NH2+][C@H](Cc3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC001168744609 989318336 /nfs/dbraw/zinc/31/83/36/989318336.db2.gz TVYAJCVIHRNVAH-MRXNPFEDSA-N 1 0 357.385 2.699 20 5 FFBDRO O=C(NCC1C[NH+](Cc2ccc(-c3ccccc3)cc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001031660524 990855135 /nfs/dbraw/zinc/85/51/35/990855135.db2.gz JWWIYGTVJBRWIP-WOJBJXKFSA-N 1 0 365.433 2.567 20 5 FFBDRO CN(C(=O)CN1C[C@@H](CC[NH3+])Cc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000923547226 991232343 /nfs/dbraw/zinc/23/23/43/991232343.db2.gz OUWYHAALRBSCJG-HNNXBMFYSA-N 1 0 368.437 2.585 20 5 FFBDRO C[NH+](C)CCOc1ccc(CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 ZINC000068130477 991342203 /nfs/dbraw/zinc/34/22/03/991342203.db2.gz JUVCQYIFIVPZAY-KPKJPENVSA-N 1 0 369.421 2.865 20 5 FFBDRO CC(C)c1ccc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1 ZINC000940107850 991933639 /nfs/dbraw/zinc/93/36/39/991933639.db2.gz QZIKGKPDTPYCBU-QZTJIDSGSA-N 1 0 359.470 2.946 20 5 FFBDRO CC1([NH2+]Cc2ccc(C3CC3)cc2)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000940107685 991933679 /nfs/dbraw/zinc/93/36/79/991933679.db2.gz OMOYYHRTSHNRIA-QZTJIDSGSA-N 1 0 357.454 2.700 20 5 FFBDRO O=C(N[C@H]1C[C@H](C[NH2+]CCc2ccc3ccccc3c2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001485683418 991991039 /nfs/dbraw/zinc/99/10/39/991991039.db2.gz QDLMINZNAQQCQO-HUYLIWGRSA-N 1 0 367.449 2.532 20 5 FFBDRO Cc1noc(CN2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@]3(C)C2)c1[N+](=O)[O-] ZINC000880023236 1015735006 /nfs/dbraw/zinc/73/50/06/1015735006.db2.gz VAFQUAXBZNUJJC-QFBILLFUSA-N 1 0 356.426 2.845 20 5 FFBDRO CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(C[NH2+]CCc2cccc([N+](=O)[O-])c2)C1 ZINC000824050877 996780406 /nfs/dbraw/zinc/78/04/06/996780406.db2.gz NGUMWWVDRZQTJI-KXBFYZLASA-N 1 0 361.442 2.984 20 5 FFBDRO C[C@H]([NH2+]C[C@](C)(O)CN(C)C(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000844314301 997801014 /nfs/dbraw/zinc/80/10/14/997801014.db2.gz ZIGQOSSNWJXVJP-UGSOOPFHSA-N 1 0 367.446 2.863 20 5 FFBDRO Cc1c(NC(=O)CCN2C[C@]3(C)C[N@@H+](C)C[C@]3(C)C2)cccc1[N+](=O)[O-] ZINC000823755628 999074350 /nfs/dbraw/zinc/07/43/50/999074350.db2.gz UZBUEFWPCLERTO-KDURUIRLSA-N 1 0 360.458 2.505 20 5 FFBDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(c2ccc([N+](=O)[O-])c3nonc32)C1 ZINC000742423415 999773485 /nfs/dbraw/zinc/77/34/85/999773485.db2.gz PQVOWLLCHCYXKD-AWEZNQCLSA-N 1 0 353.382 2.842 20 5 FFBDRO O=C(Nc1ccccn1)[C@@H]1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000742588506 999779087 /nfs/dbraw/zinc/77/90/87/999779087.db2.gz PPOZAZQRAPQUFC-OAHLLOKOSA-N 1 0 370.409 2.719 20 5 FFBDRO CC[C@H](C(=O)O[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)[NH+](CC)CC ZINC000745093763 999892172 /nfs/dbraw/zinc/89/21/72/999892172.db2.gz VWDNIPKGGUSIFZ-DZGCQCFKSA-N 1 0 365.430 2.894 20 5 FFBDRO CC(C)(C)OC(=O)N1CC[C@]2([NH2+][C@@H]3CC[C@H](C[N+](=O)[O-])C3)CCC[C@H]12 ZINC001168956162 1000012631 /nfs/dbraw/zinc/01/26/31/1000012631.db2.gz AEODVQLWLNCBTJ-JTOWHCCKSA-N 1 0 353.463 2.954 20 5 FFBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CC2CCN(c3ncnc4ccccc43)CC2)C1 ZINC001168998331 1000014395 /nfs/dbraw/zinc/01/43/95/1000014395.db2.gz LICJKPVRLYHTGH-DLBZAZTESA-N 1 0 369.469 2.881 20 5 FFBDRO CC1(COc2ccc(C[NH2+][C@@H]3CC[C@H](C[N+](=O)[O-])C3)cc2F)COC1 ZINC001169004032 1000014729 /nfs/dbraw/zinc/01/47/29/1000014729.db2.gz PDJSNLKXDBYQFJ-LSDHHAIUSA-N 1 0 352.406 2.776 20 5 FFBDRO CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC[C@@H]2C1 ZINC001169010583 1000015443 /nfs/dbraw/zinc/01/54/43/1000015443.db2.gz DVBRXITVXODCRJ-FZKCQIBNSA-N 1 0 353.463 2.621 20 5 FFBDRO CC(C)(C)OC(=O)N1CC2(C1)CCC[N@@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169035901 1000016547 /nfs/dbraw/zinc/01/65/47/1000016547.db2.gz MFILNIGVFBKUHA-LSDHHAIUSA-N 1 0 353.463 2.765 20 5 FFBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCN(c3ncc(Cl)cc3Cl)CC2)C1 ZINC001169038946 1000017017 /nfs/dbraw/zinc/01/70/17/1000017017.db2.gz LTCMFMJGDXBQPV-AAEUAGOBSA-N 1 0 359.257 2.956 20 5 FFBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2CCO[C@H]3[C@H](OCC4CCCC4)CC[C@@H]32)C1 ZINC001169025140 1000018070 /nfs/dbraw/zinc/01/80/70/1000018070.db2.gz XUGAKPVNMMPPLI-ZWJWXYIHSA-N 1 0 352.475 2.870 20 5 FFBDRO [NH3+][C@@H](CO)Cc1cncn1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC001169074497 1000020045 /nfs/dbraw/zinc/02/00/45/1000020045.db2.gz PSPOZBNJHHJGHB-CYBMUJFWSA-N 1 0 370.434 2.794 20 5 FFBDRO COc1ccc2c(c1)c(CC[NH3+])c(C)n2-c1cnc([N+](=O)[O-])c(OC)c1 ZINC001169179553 1000031167 /nfs/dbraw/zinc/03/11/67/1000031167.db2.gz KHHDBHLLFBVJDZ-UHFFFAOYSA-N 1 0 356.382 2.761 20 5 FFBDRO CC(=O)Nc1cc(-n2ccc([C@H](C)[NH3+])n2)c([N+](=O)[O-])cc1Br ZINC001169235558 1000031364 /nfs/dbraw/zinc/03/13/64/1000031364.db2.gz XEQLGAUYMIQDRA-ZETCQYMHSA-N 1 0 368.191 2.521 20 5 FFBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000768501262 1000268168 /nfs/dbraw/zinc/26/81/68/1000268168.db2.gz HTUWXCSYZJYUMM-LPHOPBHVSA-N 1 0 355.442 2.832 20 5 FFBDRO O=C(NCC1=CC[N@H+](Cc2cc3ccccc3s2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001000676254 1016423004 /nfs/dbraw/zinc/42/30/04/1016423004.db2.gz ZTTXLNRXZIKVCE-IAGOWNOFSA-N 1 0 371.462 2.815 20 5 FFBDRO Cc1ccc(NCCCNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)c([N+](=O)[O-])c1 ZINC001147330725 1000872723 /nfs/dbraw/zinc/87/27/23/1000872723.db2.gz CJAOBOIGJWJMTN-NVXWUHKLSA-N 1 0 360.458 2.838 20 5 FFBDRO CN(CC(=O)OC[C@H]1CCC[N@@H+]1Cc1ccco1)c1ccccc1[N+](=O)[O-] ZINC000772691002 1001635586 /nfs/dbraw/zinc/63/55/86/1001635586.db2.gz NGPFMGZVZSJGKJ-OAHLLOKOSA-N 1 0 373.409 2.832 20 5 FFBDRO Cc1nccn1CCC[N@@H+](C)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000746628466 1001655765 /nfs/dbraw/zinc/65/57/65/1001655765.db2.gz VHWVDKRGMODDPO-UHFFFAOYSA-N 1 0 354.414 2.943 20 5 FFBDRO O=C1OCCN1[C@@H]1CC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000826995182 1016552758 /nfs/dbraw/zinc/55/27/58/1016552758.db2.gz QZFDUSQVZWIPGP-OAHLLOKOSA-N 1 0 357.366 2.881 20 5 FFBDRO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2C(=O)[C@@H](CC)CO ZINC001183169621 1002182375 /nfs/dbraw/zinc/18/23/75/1002182375.db2.gz DRPCDGSAYIVNPQ-LBPRGKRZSA-N 1 0 353.422 2.914 20 5 FFBDRO Cn1cc(-c2cc(CNc3cc4c(cc3[N+](=O)[O-])C[NH2+]C4)ccn2)cn1 ZINC001170128570 1002290820 /nfs/dbraw/zinc/29/08/20/1002290820.db2.gz NUSMUSXWHDCHLE-UHFFFAOYSA-N 1 0 350.382 2.606 20 5 FFBDRO Cc1c(C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000791060779 1002566179 /nfs/dbraw/zinc/56/61/79/1002566179.db2.gz MTJXKMFKLVGGNM-HNNXBMFYSA-N 1 0 364.402 2.662 20 5 FFBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000791217973 1002610044 /nfs/dbraw/zinc/61/00/44/1002610044.db2.gz HATCDIYBYXBQSM-CYBMUJFWSA-N 1 0 366.437 2.794 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001184729861 1002708332 /nfs/dbraw/zinc/70/83/32/1002708332.db2.gz POAIJCYJMVPKOD-OKILXGFUSA-N 1 0 365.430 2.601 20 5 FFBDRO Cc1c(C(=O)NCC(C)(C)C[NH+]2CCCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000791893983 1002834926 /nfs/dbraw/zinc/83/49/26/1002834926.db2.gz LAIYBTJAFNQPMC-UHFFFAOYSA-N 1 0 364.402 2.663 20 5 FFBDRO Cc1c(NC(=O)[C@@H](C)OC(=O)c2ccc3c[nH+]cn3c2)cccc1[N+](=O)[O-] ZINC000792554139 1003033032 /nfs/dbraw/zinc/03/30/32/1003033032.db2.gz WQXKGTYAUDCSTB-GFCCVEGCSA-N 1 0 368.349 2.735 20 5 FFBDRO COc1ccc([C@H](CO)[NH2+][C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC001170304739 1003092749 /nfs/dbraw/zinc/09/27/49/1003092749.db2.gz GJWVOEWLESVBGQ-UGSOOPFHSA-N 1 0 360.410 2.866 20 5 FFBDRO COc1ccc(C[C@H](C)[NH2+]C2(CO)Cc3ccccc3C2)c([N+](=O)[O-])c1 ZINC001170315936 1003105926 /nfs/dbraw/zinc/10/59/26/1003105926.db2.gz ZHMLQWJSGDNGMB-AWEZNQCLSA-N 1 0 356.422 2.654 20 5 FFBDRO COC(=O)c1ccc(C[NH2+][C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])nc1 ZINC001170318694 1003108729 /nfs/dbraw/zinc/10/87/29/1003108729.db2.gz RUKWZIOILUAASR-GFCCVEGCSA-N 1 0 359.382 2.506 20 5 FFBDRO COc1ccc(C[C@H](C)[NH2+]Cc2cc(OCC3CC3)ncn2)c([N+](=O)[O-])c1 ZINC001170322447 1003110684 /nfs/dbraw/zinc/11/06/84/1003110684.db2.gz GYOJUUNKYUAFAN-ZDUSSCGKSA-N 1 0 372.425 2.903 20 5 FFBDRO COC(=O)c1ccnc(C[NH2+][C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])c1 ZINC001170308643 1003119699 /nfs/dbraw/zinc/11/96/99/1003119699.db2.gz NKKFWLGPEWOIOY-GFCCVEGCSA-N 1 0 359.382 2.506 20 5 FFBDRO COc1ccc(C[C@H](C)[N@@H+]2CCC[C@]3(CCCC(=O)N3)C2)c([N+](=O)[O-])c1 ZINC001170341083 1003129665 /nfs/dbraw/zinc/12/96/65/1003129665.db2.gz NEEDQVBKEIKCFU-IFXJQAMLSA-N 1 0 361.442 2.669 20 5 FFBDRO COc1ccc(C[C@H](C)N(c2ncccn2)[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001170347560 1003133422 /nfs/dbraw/zinc/13/34/22/1003133422.db2.gz RWOQIHIYGXNMIQ-HOCLYGCPSA-N 1 0 371.441 2.583 20 5 FFBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccnc(-c4ccccc4)c3[N+](=O)[O-])C[C@@H]2C1 ZINC000793924248 1003526843 /nfs/dbraw/zinc/52/68/43/1003526843.db2.gz CPTPBFUSYSBBQP-CVEARBPZSA-N 1 0 366.421 2.681 20 5 FFBDRO CC1(C)CCCC[C@@H]1[NH2+]CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000775683006 1003634400 /nfs/dbraw/zinc/63/44/00/1003634400.db2.gz ODUTTZDLCHAZAW-SFHVURJKSA-N 1 0 374.485 2.802 20 5 FFBDRO O=C(O[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)C1CC[NH+](C2CC2)CC1 ZINC000805897701 1004173145 /nfs/dbraw/zinc/17/31/45/1004173145.db2.gz VSWPOFXPSZFJQX-HOTGVXAUSA-N 1 0 362.430 2.693 20 5 FFBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000808191047 1004770448 /nfs/dbraw/zinc/77/04/48/1004770448.db2.gz LTDXDGBNQKJSNM-DNVCBOLYSA-N 1 0 355.442 2.974 20 5 FFBDRO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001170546827 1004782065 /nfs/dbraw/zinc/78/20/65/1004782065.db2.gz HJUOTQGNFOSPFZ-HNNXBMFYSA-N 1 0 357.385 2.699 20 5 FFBDRO C[N@H+](Cc1cccc(F)c1)Cc1ccccc1CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001050245067 1016928536 /nfs/dbraw/zinc/92/85/36/1016928536.db2.gz YGSXNWKXEFIWCW-RTBURBONSA-N 1 0 371.412 2.739 20 5 FFBDRO O=C(N[C@H]1CC[C@H](C[NH2+]CC2CCC3(CC3)CC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001050326267 1016970822 /nfs/dbraw/zinc/97/08/22/1016970822.db2.gz VJDXNUFLEOZAHF-VDHUWJSZSA-N 1 0 363.502 2.887 20 5 FFBDRO CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776582085 1005963205 /nfs/dbraw/zinc/96/32/05/1005963205.db2.gz PSMSVJYIQAHBMF-LJQANCHMSA-N 1 0 371.437 2.852 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)CN2CCO[C@@]3(CCc4ccccc43)C2)cc1 ZINC000776594196 1006009872 /nfs/dbraw/zinc/00/98/72/1006009872.db2.gz YIVGBAOCERKHGZ-PMACEKPBSA-N 1 0 354.406 2.802 20 5 FFBDRO C[C@@H]1[C@H](NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC[N@@H+]1Cc1ccccc1 ZINC000813824386 1006046118 /nfs/dbraw/zinc/04/61/18/1006046118.db2.gz YCAFVTAHLDVJSP-SJKOYZFVSA-N 1 0 372.400 2.709 20 5 FFBDRO COCC1(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCOCC1 ZINC000813876645 1006068487 /nfs/dbraw/zinc/06/84/87/1006068487.db2.gz YYAHFNYFURWBQI-UHFFFAOYSA-N 1 0 363.458 2.596 20 5 FFBDRO C[C@H]1CN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CCN1c1cc[nH+]cc1 ZINC000881634351 1006165506 /nfs/dbraw/zinc/16/55/06/1006165506.db2.gz AJGFEEKFPAOIBY-ZDUSSCGKSA-N 1 0 365.393 2.822 20 5 FFBDRO C[C@@]12C[N@H+](Cn3cc([N+](=O)[O-])c(-c4ccccn4)n3)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000853516008 1006422971 /nfs/dbraw/zinc/42/29/71/1006422971.db2.gz IJBQGRQAYSLGJS-QZNHQWIBSA-N 1 0 351.410 2.955 20 5 FFBDRO CN(CCCC[NH+]1CCCCC1)C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000882624848 1006459154 /nfs/dbraw/zinc/45/91/54/1006459154.db2.gz RASJRZWMAWUCQF-UHFFFAOYSA-N 1 0 367.421 2.837 20 5 FFBDRO CC1(C)CC[N@H+](CCNC(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC001134811375 1006487604 /nfs/dbraw/zinc/48/76/04/1006487604.db2.gz VHVAMZFJAGONST-UHFFFAOYSA-N 1 0 370.247 2.819 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)nccc2N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000882727193 1006491479 /nfs/dbraw/zinc/49/14/79/1006491479.db2.gz OPIPBOYGMPURNN-OAHLLOKOSA-N 1 0 356.426 2.880 20 5 FFBDRO Cc1cc(C(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)c(N)c([N+](=O)[O-])c1 ZINC000111631323 1006545231 /nfs/dbraw/zinc/54/52/31/1006545231.db2.gz BQHBKYRPYICCOK-CQSZACIVSA-N 1 0 356.426 2.736 20 5 FFBDRO C[C@H]([NH2+]CCN1CCN(c2ccccc2)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815556972 1006682572 /nfs/dbraw/zinc/68/25/72/1006682572.db2.gz JQDWRSJZHXRFQC-INIZCTEOSA-N 1 0 369.469 2.650 20 5 FFBDRO COc1ccc([C@@H]2C[NH2+]CCN2C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000883554622 1006862537 /nfs/dbraw/zinc/86/25/37/1006862537.db2.gz APVRCCXXTLQMTB-KRWDZBQOSA-N 1 0 356.382 2.782 20 5 FFBDRO CC(C)[C@@H]([NH3+])C(C)(C)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000884153405 1007273601 /nfs/dbraw/zinc/27/36/01/1007273601.db2.gz KAXIHBLIDZIUQO-QGZVFWFLSA-N 1 0 363.458 2.974 20 5 FFBDRO C[NH2+]CCOc1cccc(C(=O)N2CCc3cc(C)c([N+](=O)[O-])cc32)c1 ZINC000884330898 1007378955 /nfs/dbraw/zinc/37/89/55/1007378955.db2.gz AEIXIBDXOKGBAI-UHFFFAOYSA-N 1 0 355.394 2.704 20 5 FFBDRO CCC1([NH+]2CCC2)CCN(Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000884474710 1007456777 /nfs/dbraw/zinc/45/67/77/1007456777.db2.gz JVJGREOLTDDKAO-UHFFFAOYSA-N 1 0 370.457 2.761 20 5 FFBDRO CCOC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000776827578 1007530967 /nfs/dbraw/zinc/53/09/67/1007530967.db2.gz UKWQCAWXXXQTAG-HUUCEWRRSA-N 1 0 365.430 2.820 20 5 FFBDRO CC(C)c1ccc(C(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)cc1[N+](=O)[O-] ZINC000885882247 1007819052 /nfs/dbraw/zinc/81/90/52/1007819052.db2.gz GKJYTANMRNAWKJ-INIZCTEOSA-N 1 0 361.442 2.701 20 5 FFBDRO Cn1ccnc1[C@H](NCc1ccc(CC[NH3+])cc1)c1cccc([N+](=O)[O-])c1 ZINC000817947897 1007821915 /nfs/dbraw/zinc/82/19/15/1007821915.db2.gz DXVBIYKGGJWHSQ-LJQANCHMSA-N 1 0 365.437 2.709 20 5 FFBDRO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)C[C@@]1(C)C[NH3+] ZINC000818007756 1007851760 /nfs/dbraw/zinc/85/17/60/1007851760.db2.gz JIHQNHNBUFFKDI-FOIQADDNSA-N 1 0 374.485 2.888 20 5 FFBDRO CC(C)C[C@@H](C[NH3+])NC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 ZINC000818555302 1007940401 /nfs/dbraw/zinc/94/04/01/1007940401.db2.gz YDBINNKYPUWKAY-HNNXBMFYSA-N 1 0 362.474 2.934 20 5 FFBDRO CCCNC(=O)c1cccc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000818960044 1007978426 /nfs/dbraw/zinc/97/84/26/1007978426.db2.gz ADUKEAKIDURKDR-GOSISDBHSA-N 1 0 357.410 2.558 20 5 FFBDRO Cc1nc2ccccc2n1CCC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000818958533 1007994618 /nfs/dbraw/zinc/99/46/18/1007994618.db2.gz PSARFMNLLJULKK-LJQANCHMSA-N 1 0 354.410 2.966 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2CCN(c3ccc(F)cc3F)C2)cc1 ZINC000819033956 1008026987 /nfs/dbraw/zinc/02/69/87/1008026987.db2.gz UYHNIFKFGBYQHT-RDTXWAMCSA-N 1 0 363.364 2.775 20 5 FFBDRO COc1cccc(N2CCC[C@H]([NH2+]C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000819082060 1008029577 /nfs/dbraw/zinc/02/95/77/1008029577.db2.gz PPDPKJBOQKXVLV-OXJNMPFZSA-N 1 0 371.437 2.895 20 5 FFBDRO COC(=O)Nc1ccc(CC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000819086099 1008030369 /nfs/dbraw/zinc/03/03/69/1008030369.db2.gz KRBFKULDJAMKFK-QGZVFWFLSA-N 1 0 359.382 2.639 20 5 FFBDRO CC[NH+]1CCN(c2ccc(NC[C@@H](O)c3cccc([N+](=O)[O-])c3)cc2)CC1 ZINC000819395368 1008113980 /nfs/dbraw/zinc/11/39/80/1008113980.db2.gz KDFKNWKHLXPKJC-HXUWFJFHSA-N 1 0 370.453 2.882 20 5 FFBDRO O=C(N1CCCC[C@H]1[C@H]1CC[NH2+]C1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857768106 1008204271 /nfs/dbraw/zinc/20/42/71/1008204271.db2.gz MSPPRUXEHTUKJF-WFASDCNBSA-N 1 0 369.368 2.557 20 5 FFBDRO C[C@H]1CC2(CN1C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1)CC[NH2+]CC2 ZINC000857769817 1008204583 /nfs/dbraw/zinc/20/45/83/1008204583.db2.gz QRZRJJNKYMNVBZ-LBPRGKRZSA-N 1 0 369.368 2.557 20 5 FFBDRO Cc1nn(CN2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)c(C)c1[N+](=O)[O-] ZINC000819897943 1008245506 /nfs/dbraw/zinc/24/55/06/1008245506.db2.gz WLLWNXHTXULOEF-ZWKOTPCHSA-N 1 0 355.442 2.572 20 5 FFBDRO Cc1c(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000116129233 1008368855 /nfs/dbraw/zinc/36/88/55/1008368855.db2.gz YZFMBNVBZXDIFB-OAHLLOKOSA-N 1 0 366.418 2.908 20 5 FFBDRO C[NH+](C)C1(CNC(=O)c2cc([N+](=O)[O-])cc3ccccc32)CCOCC1 ZINC000859392023 1008510141 /nfs/dbraw/zinc/51/01/41/1008510141.db2.gz BMGCWWADJZXQHF-UHFFFAOYSA-N 1 0 357.410 2.589 20 5 FFBDRO CCCOc1cc(NC(=O)N(C)C[C@H](C)[NH3+])c([N+](=O)[O-])cc1OCCC ZINC000859625343 1008593619 /nfs/dbraw/zinc/59/36/19/1008593619.db2.gz RNWBTZUQSUIJDJ-LBPRGKRZSA-N 1 0 368.434 2.983 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@H](O)Cc2ccc(F)cc2)n1 ZINC000886677572 1008812430 /nfs/dbraw/zinc/81/24/30/1008812430.db2.gz ZDQPSOPJWUADFZ-BRWVUGGUSA-N 1 0 362.405 2.607 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(CN2CCC[C@H](c3ncccn3)C2)c1 ZINC000886690604 1008824728 /nfs/dbraw/zinc/82/47/28/1008824728.db2.gz YUFDGIPFLDSHOU-AWEZNQCLSA-N 1 0 356.382 2.551 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C[C@H]3COC4(CCOCC4)O3)o2)c1 ZINC001178317251 1008953080 /nfs/dbraw/zinc/95/30/80/1008953080.db2.gz GFFXXBYHNZPBFO-KRWDZBQOSA-N 1 0 374.393 2.867 20 5 FFBDRO O=C(NCCCCCC[NH2+]Cc1cccc(Cl)c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001178458585 1008994635 /nfs/dbraw/zinc/99/46/35/1008994635.db2.gz MYWWRYOGJGQYHS-HZPDHXFCSA-N 1 0 353.850 2.771 20 5 FFBDRO C[N@H+](C[C@](C)(O)c1ccccc1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000823597794 1009135059 /nfs/dbraw/zinc/13/50/59/1009135059.db2.gz BLPUHQYQSWCAFB-QUCCMNQESA-N 1 0 369.421 2.540 20 5 FFBDRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823938774 1009287311 /nfs/dbraw/zinc/28/73/11/1009287311.db2.gz NSEVPMYSAPNSBL-CYBMUJFWSA-N 1 0 357.414 2.819 20 5 FFBDRO Cc1c(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cccc1[N+](=O)[O-] ZINC000118866639 1009788164 /nfs/dbraw/zinc/78/81/64/1009788164.db2.gz PNXPFUCWXVTPPS-AWEZNQCLSA-N 1 0 357.370 2.893 20 5 FFBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000065496829 1010388586 /nfs/dbraw/zinc/38/85/86/1010388586.db2.gz FUOZPTCWXWRRKZ-SFHVURJKSA-N 1 0 374.416 2.833 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH+]2CCC(Oc3ncccc3F)CC2)cc1 ZINC000773980720 1010400508 /nfs/dbraw/zinc/40/05/08/1010400508.db2.gz NEAZPSORFCMQTM-KRWDZBQOSA-N 1 0 361.373 2.706 20 5 FFBDRO C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3F)nc2)C1 ZINC000773202751 1010406551 /nfs/dbraw/zinc/40/65/51/1010406551.db2.gz DDPXVIHQUQUBAQ-CQSZACIVSA-N 1 0 373.388 2.522 20 5 FFBDRO C[N@H+](CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O)[C@@H]1CCC(C)(C)C1 ZINC000794683252 1010469756 /nfs/dbraw/zinc/46/97/56/1010469756.db2.gz CQYDBBZIQYTKJW-OAHLLOKOSA-N 1 0 360.414 2.831 20 5 FFBDRO O=C(Cc1cccc(F)c1[N+](=O)[O-])NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000864520121 1010491285 /nfs/dbraw/zinc/49/12/85/1010491285.db2.gz KKMAJHNBIDLMED-HNNXBMFYSA-N 1 0 361.373 2.823 20 5 FFBDRO O=[N+]([O-])c1cc(CO)c(N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)cc1F ZINC000865889745 1010882868 /nfs/dbraw/zinc/88/28/68/1010882868.db2.gz OSGDXAVQHUZNBW-MGPUTAFESA-N 1 0 371.412 2.937 20 5 FFBDRO O=[N+]([O-])c1cc(CO)c(NCC2CC[NH+](C3CCOCC3)CC2)cc1F ZINC000865930234 1010890550 /nfs/dbraw/zinc/89/05/50/1010890550.db2.gz NEICYBRYJNJXNZ-UHFFFAOYSA-N 1 0 367.421 2.529 20 5 FFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1CCCc2c1cnn2CCO ZINC000866245141 1010961281 /nfs/dbraw/zinc/96/12/81/1010961281.db2.gz XRLIAFUSIWKOLI-WBMJQRKESA-N 1 0 362.405 2.521 20 5 FFBDRO C[C@H]([NH2+]Cc1ccc(CN2CCNC2=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000866573728 1011018664 /nfs/dbraw/zinc/01/86/64/1011018664.db2.gz LZKQTDJXLXDBIM-AWEZNQCLSA-N 1 0 354.410 2.971 20 5 FFBDRO Cc1ccc(CNC(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000869055864 1011589524 /nfs/dbraw/zinc/58/95/24/1011589524.db2.gz XPMLSFBZPRIFTM-KRWDZBQOSA-N 1 0 360.458 2.824 20 5 FFBDRO O=C(Cc1cccc(F)c1[N+](=O)[O-])NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000869306180 1011718965 /nfs/dbraw/zinc/71/89/65/1011718965.db2.gz FHXMMKXJKQXYQM-INIZCTEOSA-N 1 0 357.385 2.667 20 5 FFBDRO CCC(=O)c1ccc(N2CCC[N@H+](C[C@H]3CCCO3)CC2)c([N+](=O)[O-])c1 ZINC000795074022 1011756314 /nfs/dbraw/zinc/75/63/14/1011756314.db2.gz IBJCHQMHPXEJBC-MRXNPFEDSA-N 1 0 361.442 2.879 20 5 FFBDRO Cn1c(=O)ccc2c1CC[C@@H]([NH2+][C@@H]1CCc3ccc([N+](=O)[O-])cc3CC1)C2 ZINC001172898951 1012073569 /nfs/dbraw/zinc/07/35/69/1012073569.db2.gz JXPAVGJAPAAIEX-QZTJIDSGSA-N 1 0 367.449 2.688 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]Cc1cc(OC3COC3)ccn1)CC2 ZINC001172902049 1012074172 /nfs/dbraw/zinc/07/41/72/1012074172.db2.gz UHWWRECJOYSSBO-INIZCTEOSA-N 1 0 369.421 2.805 20 5 FFBDRO [NH3+]Cc1cccc(-c2nnn([C@H]3CCc4ccc([N+](=O)[O-])cc4CC3)n2)c1 ZINC001172901092 1012075741 /nfs/dbraw/zinc/07/57/41/1012075741.db2.gz JJQUWXBVFODDSY-KRWDZBQOSA-N 1 0 364.409 2.827 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CCC[C@H]1N1CCOCC1)CC2 ZINC001172902872 1012076504 /nfs/dbraw/zinc/07/65/04/1012076504.db2.gz MPFUFZSTOQIASJ-MISYRCLQSA-N 1 0 359.470 2.685 20 5 FFBDRO O=C(N1CCCC1)C12CC(C1)C[N@H+]2[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172907655 1012079410 /nfs/dbraw/zinc/07/94/10/1012079410.db2.gz LERMWRGDNSGUHN-GFBDMGBSSA-N 1 0 369.465 2.929 20 5 FFBDRO CN1C[C@]2(CC1=O)CCCC[N@@H+]2[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172908886 1012081346 /nfs/dbraw/zinc/08/13/46/1012081346.db2.gz OUPLGBACSOHGRD-YLJYHZDGSA-N 1 0 357.454 2.929 20 5 FFBDRO O=C1CCC[C@@]2(CCC[N@@H+]([C@H]3CCc4ccc([N+](=O)[O-])cc4CC3)C2)N1 ZINC001172910547 1012122601 /nfs/dbraw/zinc/12/26/01/1012122601.db2.gz YWRLWKLMWMCXQE-PXNSSMCTSA-N 1 0 357.454 2.977 20 5 FFBDRO CCOC(=O)C1=C(O)CC[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172911666 1012126472 /nfs/dbraw/zinc/12/64/72/1012126472.db2.gz UUKMKJCXNPSPBS-FUHWJXTLSA-N 1 0 374.437 2.686 20 5 FFBDRO Cc1cnc(C[NH3+])n1C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173008333 1012176968 /nfs/dbraw/zinc/17/69/68/1012176968.db2.gz UGDMFBOICAVUSE-UHFFFAOYSA-N 1 0 351.357 2.678 20 5 FFBDRO C[C@H]1COCC[C@H]1[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173008554 1012177207 /nfs/dbraw/zinc/17/72/07/1012177207.db2.gz BLMDSZWLOLOOID-MEDUHNTESA-N 1 0 355.385 2.856 20 5 FFBDRO CCOC(=O)CCC[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173010302 1012179479 /nfs/dbraw/zinc/17/94/79/1012179479.db2.gz FSNPSDPKFCKOFI-UHFFFAOYSA-N 1 0 371.384 2.775 20 5 FFBDRO CCC1(C[NH2+]C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)COC1 ZINC001173011048 1012182036 /nfs/dbraw/zinc/18/20/36/1012182036.db2.gz PCCNLLBGOWUXHC-UHFFFAOYSA-N 1 0 355.385 2.858 20 5 FFBDRO COC1CC[NH+](C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)CC1 ZINC001173013822 1012185038 /nfs/dbraw/zinc/18/50/38/1012185038.db2.gz GFSPOOYQHLFEPY-UHFFFAOYSA-N 1 0 355.385 2.953 20 5 FFBDRO CC1(C)COCC[N@@H+]1C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173017661 1012190055 /nfs/dbraw/zinc/19/00/55/1012190055.db2.gz IPXPDUZOXQYKND-UHFFFAOYSA-N 1 0 355.385 2.953 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@H]2c3ccccc3C[C@@H]2O)c1F ZINC001173183299 1012326560 /nfs/dbraw/zinc/32/65/60/1012326560.db2.gz LZHLLUVTYMVWDD-UTLVKMTRSA-N 1 0 360.385 2.921 20 5 FFBDRO COc1cc(CC[NH2+][C@@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])ccn1 ZINC001173188231 1012328895 /nfs/dbraw/zinc/32/88/95/1012328895.db2.gz JHRSHFQZXHTLDH-LBPRGKRZSA-N 1 0 363.389 2.909 20 5 FFBDRO CCOC(=O)C1(C[NH2+][C@@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])CCC1 ZINC001173192800 1012334425 /nfs/dbraw/zinc/33/44/25/1012334425.db2.gz RCTXDAORSGRQCZ-LBPRGKRZSA-N 1 0 368.405 2.997 20 5 FFBDRO Cc1cc(N2CCC([NH2+][C@@H](C)Cc3ccc([N+](=O)[O-])cc3)CC2)ncn1 ZINC001173226875 1012362483 /nfs/dbraw/zinc/36/24/83/1012362483.db2.gz CPCAQVUCOYZDFQ-HNNXBMFYSA-N 1 0 355.442 2.883 20 5 FFBDRO COc1ccc(OC[C@@H](O)C[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001173212632 1012369090 /nfs/dbraw/zinc/36/90/90/1012369090.db2.gz BVAIDSDEGVHCOK-PBHICJAKSA-N 1 0 360.410 2.564 20 5 FFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](NC(=O)c2cccnc2)C1 ZINC001173238503 1012386898 /nfs/dbraw/zinc/38/68/98/1012386898.db2.gz UFPWXCKJPPUMOU-CRAIPNDOSA-N 1 0 368.437 2.815 20 5 FFBDRO CC(=O)Oc1ccc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000123222822 1012487706 /nfs/dbraw/zinc/48/77/06/1012487706.db2.gz NFOSAZJNMCPSBU-OAHLLOKOSA-N 1 0 356.382 2.602 20 5 FFBDRO C[NH+](C)CC[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC000928832324 1019146224 /nfs/dbraw/zinc/14/62/24/1019146224.db2.gz SKYYKMRVBOUCFE-OTWHNJEPSA-N 1 0 368.437 2.903 20 5 FFBDRO C[NH+](C)CC[C@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC000928839550 1019155267 /nfs/dbraw/zinc/15/52/67/1019155267.db2.gz KTJJOYNZZGFNMU-KRWDZBQOSA-N 1 0 374.466 2.891 20 5 FFBDRO C[NH+](C)CC[C@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC000928841345 1019157421 /nfs/dbraw/zinc/15/74/21/1019157421.db2.gz UVGNJSKYUDBKPM-HKMNZKMDSA-N 1 0 354.410 2.812 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H](c2c[nH]c3ncccc23)C1 ZINC000931373480 1020443099 /nfs/dbraw/zinc/44/30/99/1020443099.db2.gz ZZBULEURNUDEAP-AWEZNQCLSA-N 1 0 354.414 2.856 20 5 FFBDRO O=[N+]([O-])c1ccc(F)c(Br)c1O[C@H]1CCC[NH2+]C[C@@H]1F ZINC001217948056 1032914218 /nfs/dbraw/zinc/91/42/18/1032914218.db2.gz LJQZPRQJXAYVBM-WPRPVWTQSA-N 1 0 351.147 2.965 20 5 FFBDRO COc1cc([C@@H](C)[NH2+][C@H]2CCCN(c3ncccn3)C2)cc([N+](=O)[O-])c1 ZINC000903072322 1020662840 /nfs/dbraw/zinc/66/28/40/1020662840.db2.gz IPBMVARQUCJQOC-HIFRSBDPSA-N 1 0 357.414 2.713 20 5 FFBDRO COc1ccccc1COC[C@@H](O)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000932181623 1020734461 /nfs/dbraw/zinc/73/44/61/1020734461.db2.gz XQNBBSRPIMWPTI-KDOFPFPSSA-N 1 0 360.410 2.832 20 5 FFBDRO O=c1c2c(O[C@H]3CCCC[NH2+]C3)cc(O)cc2oc2c(O)ccc(O)c12 ZINC001217972967 1032927991 /nfs/dbraw/zinc/92/79/91/1032927991.db2.gz AXWWMPOQMLBGLU-NSHDSACASA-N 1 0 357.362 2.584 20 5 FFBDRO O=c1ccc2ncc(O[C@H]3C[NH2+]CCC[C@@H]3F)c3c4ccccc4n1c32 ZINC001217984474 1032932723 /nfs/dbraw/zinc/93/27/23/1032932723.db2.gz NANSPHJBPNPWPU-BBRMVZONSA-N 1 0 351.381 2.908 20 5 FFBDRO O=C(C[N@@H+]1CCC[C@H](C2CCOCC2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000933082651 1020955541 /nfs/dbraw/zinc/95/55/41/1020955541.db2.gz YCOCKRFBKYZBLO-KRWDZBQOSA-N 1 0 373.453 2.623 20 5 FFBDRO COc1ccccc1CC[N@H+](C)Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC000749951955 1021161382 /nfs/dbraw/zinc/16/13/82/1021161382.db2.gz RGTVWBBXHFJARA-UHFFFAOYSA-N 1 0 355.398 2.789 20 5 FFBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC001116331450 1021168556 /nfs/dbraw/zinc/16/85/56/1021168556.db2.gz QDWCLFVZAMLKFT-SCLBCKFNSA-N 1 0 358.442 2.725 20 5 FFBDRO Cc1cn(C[N@H+]2C[C@@H]3CCCC[C@@H]3C2)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000749978705 1021186111 /nfs/dbraw/zinc/18/61/11/1021186111.db2.gz VWJMBMUDSLJUHS-IYBDPMFKSA-N 1 0 356.426 2.935 20 5 FFBDRO COc1ccc([C@@H]2CCC[N@@H+]2C[C@H](O)COc2cccc([N+](=O)[O-])c2)nc1 ZINC000934344949 1021203326 /nfs/dbraw/zinc/20/33/26/1021203326.db2.gz IFFOIBUUSGZDKV-KXBFYZLASA-N 1 0 373.409 2.575 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2nc(C[NH2+][C@@H]3CCOC34CCOCC4)co2)cc1 ZINC000934403968 1021221459 /nfs/dbraw/zinc/22/14/59/1021221459.db2.gz OVOUHPJRQRQXSO-MRXNPFEDSA-N 1 0 359.382 2.678 20 5 FFBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3C[C@@H](Cc4ccccc4)[C@H](O)C3)nc2c1 ZINC000934436800 1021241151 /nfs/dbraw/zinc/24/11/51/1021241151.db2.gz CDJLAIOZDDVCCB-RHSMWYFYSA-N 1 0 353.378 2.771 20 5 FFBDRO Cc1nc(O[C@H]2CCC[C@@]23CC[NH2+]C3)c([N+](=O)[O-])cc1Br ZINC001218091704 1032989513 /nfs/dbraw/zinc/98/95/13/1032989513.db2.gz FSUJAQDPGDCSRI-JSGCOSHPSA-N 1 0 356.220 2.972 20 5 FFBDRO Cc1cc(O[C@@H]2CSC3(C[NH2+]C3)C2)c([N+](=O)[O-])cc1Br ZINC001218103263 1032995634 /nfs/dbraw/zinc/99/56/34/1032995634.db2.gz PLCGGNNEPFJUEV-VIFPVBQESA-N 1 0 359.245 2.892 20 5 FFBDRO Cc1c(Br)c(O[C@@H]2CCC[C@@H]3C[NH2+]C[C@@H]32)ncc1[N+](=O)[O-] ZINC001218145513 1033016805 /nfs/dbraw/zinc/01/68/05/1033016805.db2.gz WALQPHYKAHHJBJ-JFGNBEQYSA-N 1 0 356.220 2.828 20 5 FFBDRO COC(=O)c1cc(Cl)cc([N+](=O)[O-])c1O[C@@H]1CCC[C@@H]2C[NH2+]C[C@@H]21 ZINC001218147332 1033017329 /nfs/dbraw/zinc/01/73/29/1033017329.db2.gz WBEMERHKAWVSPU-LJWDBELGSA-N 1 0 354.790 2.802 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CCc2c(F)cccc2Cl)c1 ZINC001118090859 1022060812 /nfs/dbraw/zinc/06/08/12/1022060812.db2.gz PPSFINLPXYWYCW-CYBMUJFWSA-N 1 0 368.792 2.959 20 5 FFBDRO C[NH+](C)CCn1cc(Nc2ncnc3c(Cl)cc([N+](=O)[O-])cc23)cn1 ZINC001118521169 1022272904 /nfs/dbraw/zinc/27/29/04/1022272904.db2.gz MNYMFNMCJVXGCM-UHFFFAOYSA-N 1 0 361.793 2.693 20 5 FFBDRO O=[N+]([O-])c1cc(O[C@@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1I ZINC001218186487 1033040135 /nfs/dbraw/zinc/04/01/35/1033040135.db2.gz SPQUFRIDCMZFGB-DOFRTFSJSA-N 1 0 374.178 2.861 20 5 FFBDRO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC001118638757 1022329935 /nfs/dbraw/zinc/32/99/35/1022329935.db2.gz FYJALPNEFLCLBP-ZYHUDNBSSA-N 1 0 355.826 2.825 20 5 FFBDRO C[C@H](Oc1ccccc1N1CC[NH2+]CC1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001218212696 1033050360 /nfs/dbraw/zinc/05/03/60/1033050360.db2.gz DDTFRLCOQKCIKT-ZDUSSCGKSA-N 1 0 371.393 2.873 20 5 FFBDRO COc1cc(O[C@H]2CCC[NH2+]C2)c2c(c1)oc1ccc(OC)c(O)c1c2=O ZINC001218286084 1033086425 /nfs/dbraw/zinc/08/64/25/1033086425.db2.gz SIHXMDBSKJQVRD-NSHDSACASA-N 1 0 371.389 2.800 20 5 FFBDRO COc1cc(O[C@@H]2C=CC[NH2+]C2)c2c(c1)oc1ccc(OC)c(O)c1c2=O ZINC001218335231 1033110983 /nfs/dbraw/zinc/11/09/83/1033110983.db2.gz VMPHNRODPQZMIR-LLVKDONJSA-N 1 0 369.373 2.576 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)CCCNc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC001120100977 1023240346 /nfs/dbraw/zinc/24/03/46/1023240346.db2.gz ZWINUVXRIZYQCV-JTDSTZFVSA-N 1 0 374.485 2.976 20 5 FFBDRO COc1cc(O[C@H]2C=CC[NH2+]C2)c2c(c1)oc1ccc(OC)c(O)c1c2=O ZINC001218335232 1033111500 /nfs/dbraw/zinc/11/15/00/1033111500.db2.gz VMPHNRODPQZMIR-NSHDSACASA-N 1 0 369.373 2.576 20 5 FFBDRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000779187347 1023319788 /nfs/dbraw/zinc/31/97/88/1023319788.db2.gz CHVSUPDOQXTBRL-UHFFFAOYSA-N 1 0 371.393 2.657 20 5 FFBDRO O=C(NCC[C@H]1CCC[NH2+]CC1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC001122592749 1023357238 /nfs/dbraw/zinc/35/72/38/1023357238.db2.gz BWIRUEIPALHTHC-HNNXBMFYSA-N 1 0 360.458 2.705 20 5 FFBDRO CC(C)[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1nnc2ccccn21 ZINC000754192480 1023437582 /nfs/dbraw/zinc/43/75/82/1023437582.db2.gz WZGPCHULGXTFDM-WBVHZDCISA-N 1 0 355.398 2.658 20 5 FFBDRO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000755512548 1023606395 /nfs/dbraw/zinc/60/63/95/1023606395.db2.gz MQUFMUPDRBOMSI-WLGQOEQESA-N 1 0 373.453 2.711 20 5 FFBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC1CCN(c2cc[nH+]cc2)CC1 ZINC001121301243 1023696212 /nfs/dbraw/zinc/69/62/12/1023696212.db2.gz WMJDQGFPAFOOGF-ZZXKWVIFSA-N 1 0 352.394 2.788 20 5 FFBDRO Cc1c(-c2nnc(N3CC[C@@H]([NH+]4CCCCC4)C3)n2C)cccc1[N+](=O)[O-] ZINC001121381014 1023739679 /nfs/dbraw/zinc/73/96/79/1023739679.db2.gz JADKAFRSJXIVOA-OAHLLOKOSA-N 1 0 370.457 2.763 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)c1F ZINC000829456331 1033160158 /nfs/dbraw/zinc/16/01/58/1033160158.db2.gz UQERKIQPQJFXEG-CYBMUJFWSA-N 1 0 367.396 2.985 20 5 FFBDRO O=[N+]([O-])c1cc(O[C@H]2C[NH2+]CCC2(F)F)c(Br)cc1F ZINC001218448932 1033161757 /nfs/dbraw/zinc/16/17/57/1033161757.db2.gz SBLITMUFUYCXIK-JTQLQIEISA-N 1 0 355.110 2.872 20 5 FFBDRO CC[NH+]1CCN(c2ccc(NC(=O)c3c(N)cccc3[N+](=O)[O-])cc2)CC1 ZINC000779489568 1023939827 /nfs/dbraw/zinc/93/98/27/1023939827.db2.gz QPKLEZFFPZTNSL-UHFFFAOYSA-N 1 0 369.425 2.571 20 5 FFBDRO C[C@@H]1CC[NH2+]C[C@@H]1Oc1c(I)cccc1[N+](=O)[O-] ZINC001218484097 1033177001 /nfs/dbraw/zinc/17/70/01/1033177001.db2.gz NTWOYUHDUGRDEO-KCJUWKMLSA-N 1 0 362.167 2.576 20 5 FFBDRO CC[NH+](CC)CC[C@@H](C)NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC001124046018 1024253183 /nfs/dbraw/zinc/25/31/83/1024253183.db2.gz BUDOMCNMUPHGNU-CQSZACIVSA-N 1 0 373.457 2.846 20 5 FFBDRO Cc1c([N+](=O)[O-])cc(C(=O)NC2CC[NH+](C(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000194332822 1024781648 /nfs/dbraw/zinc/78/16/48/1024781648.db2.gz BZHKGDZSQSPMTI-UHFFFAOYSA-N 1 0 364.402 2.804 20 5 FFBDRO CC/C=C/CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001101540552 1024884460 /nfs/dbraw/zinc/88/44/60/1024884460.db2.gz JIWIKDGPJIMKEM-SDKBWNRFSA-N 1 0 351.491 2.862 20 5 FFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+](CCc2ccccc2)[C@H]2CCOC2)c1 ZINC000246202584 1025871399 /nfs/dbraw/zinc/87/13/99/1025871399.db2.gz BEFQZYZZWWFTNH-PMACEKPBSA-N 1 0 356.422 2.962 20 5 FFBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1 ZINC000638946580 1026096616 /nfs/dbraw/zinc/09/66/16/1026096616.db2.gz XXVWWDJVZJEXGR-WKILWMFISA-N 1 0 363.461 2.788 20 5 FFBDRO CCOC(=O)C1(Nc2ccc3ccc([N+](=O)[O-])cc3n2)CC[NH+](C)CC1 ZINC001158572693 1027063385 /nfs/dbraw/zinc/06/33/85/1027063385.db2.gz VTEOJTUBPPYINN-UHFFFAOYSA-N 1 0 358.398 2.582 20 5 FFBDRO C[C@H]([NH3+])c1ncc(-c2ccccc2)n1-c1cc([N+](=O)[O-])cc(Cl)[n+]1[O-] ZINC001159595607 1027440328 /nfs/dbraw/zinc/44/03/28/1027440328.db2.gz OXTRLLKXJYPLOF-JTQLQIEISA-N 1 0 359.773 2.754 20 5 FFBDRO [NH3+]Cc1cc(-c2ccncc2)nn1-c1ccc(-c2ccccc2[N+](=O)[O-])nn1 ZINC001160339930 1027682412 /nfs/dbraw/zinc/68/24/12/1027682412.db2.gz XNJWXTOWBZWOOE-UHFFFAOYSA-N 1 0 373.376 2.758 20 5 FFBDRO CC(C)Oc1nc(N2CCC([NH3+])(c3cccnc3)CC2)ccc1[N+](=O)[O-] ZINC001161588093 1028241776 /nfs/dbraw/zinc/24/17/76/1028241776.db2.gz TTXPPLZAWKMUPE-UHFFFAOYSA-N 1 0 357.414 2.626 20 5 FFBDRO COc1nc(C)c([N+](=O)[O-])c(N(CC(C)(C)C)[C@H]2CC[C@H]([NH3+])CC2)n1 ZINC001161675022 1028276714 /nfs/dbraw/zinc/27/67/14/1028276714.db2.gz IQJLEQSYWRZLIR-JOCQHMNTSA-N 1 0 351.451 2.824 20 5 FFBDRO O=[N+]([O-])c1ccc2nc(Cl)nc(-n3cncc3C3CC[NH2+]CC3)c2c1 ZINC001155053946 1028559897 /nfs/dbraw/zinc/55/98/97/1028559897.db2.gz TXKYEQSBSOXICM-UHFFFAOYSA-N 1 0 358.789 2.844 20 5 FFBDRO Cc1cc(C)c(CNc2ccc([N+](=O)[O-])c(OCC[NH+](C)C)c2)c(=O)[nH]1 ZINC001162606357 1028594568 /nfs/dbraw/zinc/59/45/68/1028594568.db2.gz RTUZRPYGTASBCK-UHFFFAOYSA-N 1 0 360.414 2.865 20 5 FFBDRO [NH3+]CCc1cn(-c2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])c2cccc(Cl)c12 ZINC001162659279 1028613156 /nfs/dbraw/zinc/61/31/56/1028613156.db2.gz XVTQMVGKIFZXRF-UHFFFAOYSA-N 1 0 367.192 2.980 20 5 FFBDRO O=[N+]([O-])c1c(Cl)nc(Cl)nc1NCc1ccc2c(c1)CC[NH2+]C2 ZINC001155267479 1028651719 /nfs/dbraw/zinc/65/17/19/1028651719.db2.gz GKEBDYYCGIORQX-UHFFFAOYSA-N 1 0 354.197 2.949 20 5 FFBDRO CC(C)[C@@H](C[NH+](C)C)NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000780689877 1028768405 /nfs/dbraw/zinc/76/84/05/1028768405.db2.gz DKQURYGBZYZXDO-LJQANCHMSA-N 1 0 351.450 2.997 20 5 FFBDRO CC[NH+](CC)CC[C@@H](CO)Nc1c2cc(Cl)ccc2ncc1[N+](=O)[O-] ZINC001163178875 1028832848 /nfs/dbraw/zinc/83/28/48/1028832848.db2.gz HSYSSGWBBRLXKB-ZDUSSCGKSA-N 1 0 366.849 2.723 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2ccc(NC[C@@H]3CO[C@@]4(C3)CCC[NH2+]C4)nn2)c1 ZINC001163279367 1028870345 /nfs/dbraw/zinc/87/03/45/1028870345.db2.gz MWHGKZFLUMJEOF-AUUYWEPGSA-N 1 0 369.425 2.622 20 5 FFBDRO CCOC(=O)c1ccnc(N[C@H]2CC[N@@H+](C(C)C)C[C@H]2C)c1[N+](=O)[O-] ZINC001163371323 1028907640 /nfs/dbraw/zinc/90/76/40/1028907640.db2.gz ONXQOCOZUPGKEB-OCCSQVGLSA-N 1 0 350.419 2.697 20 5 FFBDRO Cc1c(C)n(-c2ccc([N+](=O)[O-])c3c2CNC3=O)c2ccc(C[NH3+])cc12 ZINC001163761783 1029052823 /nfs/dbraw/zinc/05/28/23/1029052823.db2.gz MYCKWLATCKGGNO-UHFFFAOYSA-N 1 0 350.378 2.858 20 5 FFBDRO COC(=O)c1ncc([N+](=O)[O-])cc1-n1c(C[NH3+])cc2cc(Cl)ccc21 ZINC001163902394 1029109933 /nfs/dbraw/zinc/10/99/33/1029109933.db2.gz OWVUBXQUBBUUPJ-UHFFFAOYSA-N 1 0 360.757 2.832 20 5 FFBDRO COC(=O)c1ncc([N+](=O)[O-])c(C)c1NCc1cccc(C[NH+](C)C)c1 ZINC001163994525 1029137968 /nfs/dbraw/zinc/13/79/68/1029137968.db2.gz ZKBAPPAQYZSBIU-UHFFFAOYSA-N 1 0 358.398 2.759 20 5 FFBDRO Cc1nc(N2C[C@H]3C[N@H+](Cc4ccccc4)C[C@@]3(C)C2)ncc1[N+](=O)[O-] ZINC001164084074 1029167956 /nfs/dbraw/zinc/16/79/56/1029167956.db2.gz CLPDSTRJKCYLNI-APWZRJJASA-N 1 0 353.426 2.652 20 5 FFBDRO O=[N+]([O-])c1cnc(N2CC[NH2+][C@H](c3ccccc3)C2)c(Br)c1 ZINC001164190724 1029195940 /nfs/dbraw/zinc/19/59/40/1029195940.db2.gz KWNCOQPPNINUBW-AWEZNQCLSA-N 1 0 363.215 2.903 20 5 FFBDRO C[Si](C)(C)CCOC[NH2+][C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2F)C1 ZINC001156466231 1029203421 /nfs/dbraw/zinc/20/34/21/1029203421.db2.gz LYWGZUHJUDLUMT-CYBMUJFWSA-N 1 0 370.501 3.000 20 5 FFBDRO [NH3+]CC1(N(Cc2ccccc2)c2ccc3ccc([N+](=O)[O-])cc3n2)COC1 ZINC001156633034 1029280349 /nfs/dbraw/zinc/28/03/49/1029280349.db2.gz XXNVOOJRVABHPH-UHFFFAOYSA-N 1 0 364.405 2.877 20 5 FFBDRO O=[N+]([O-])c1cc[n+]([O-])c(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1F ZINC001164486908 1029295071 /nfs/dbraw/zinc/29/50/71/1029295071.db2.gz SLRVCGFQLLCNQW-ARFHVFGLSA-N 1 0 372.400 2.690 20 5 FFBDRO Cc1ccc(C[NH2+]CC2(CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c(Cl)c1 ZINC001164494252 1029297437 /nfs/dbraw/zinc/29/74/37/1029297437.db2.gz BBBNPXCLRHCBCS-GDBMZVCRSA-N 1 0 365.861 2.690 20 5 FFBDRO O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001164608511 1029344342 /nfs/dbraw/zinc/34/43/42/1029344342.db2.gz SBZDWTHZULIAQQ-LLVKDONJSA-N 1 0 368.224 2.713 20 5 FFBDRO COC(=O)c1cnc(N(C)Cc2ccc(-n3ccnc3)cc2)c([N+](=O)[O-])c1 ZINC001156782719 1029344480 /nfs/dbraw/zinc/34/44/80/1029344480.db2.gz ANQSZYOZRLBSOW-UHFFFAOYSA-N 1 0 367.365 2.599 20 5 FFBDRO CC[N@H+]([C@@H]1CCOC1)C1CCN(c2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC001165113229 1029400187 /nfs/dbraw/zinc/40/01/87/1029400187.db2.gz PKPWBAHSYZZCOM-OAHLLOKOSA-N 1 0 371.441 2.618 20 5 FFBDRO Cc1ccc(-c2ccc(N3C[C@@H]4C[C@]4(C[NH+](C)C)C3)nn2)cc1[N+](=O)[O-] ZINC001165184381 1029438501 /nfs/dbraw/zinc/43/85/01/1029438501.db2.gz IUTLDCGAXVLXEG-KXBFYZLASA-N 1 0 353.426 2.748 20 5 FFBDRO CC(C)(C)OC(=O)[C@H](CCCC[NH3+])Nc1cc([N+](=O)[O-])c2cc[nH]c2n1 ZINC001157169130 1029490277 /nfs/dbraw/zinc/49/02/77/1029490277.db2.gz IBCREYURYUGGHA-LBPRGKRZSA-N 1 0 363.418 2.722 20 5 FFBDRO O=[N+]([O-])c1ccc2c(ccnc2N(c2cnccn2)C2CC[NH2+]CC2)c1 ZINC001157544119 1029613574 /nfs/dbraw/zinc/61/35/74/1029613574.db2.gz DXZQKXAYUGZLJN-UHFFFAOYSA-N 1 0 350.382 2.823 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(Oc2ccnc(Cl)c2)cc1N1C[C@@H]2C[NH2+][C@@H]2C1 ZINC001157623107 1029632396 /nfs/dbraw/zinc/63/23/96/1029632396.db2.gz GRAFBROBKRNMOG-JOYOIKCWSA-N 1 0 364.764 2.983 20 5 FFBDRO O=[N+]([O-])c1cn(C[N@@H+]2CC[C@H](Cc3ccncc3)C2)nc1-c1ccncc1 ZINC000782292006 1029644434 /nfs/dbraw/zinc/64/44/34/1029644434.db2.gz UKHYBTLJRIEMJE-MRXNPFEDSA-N 1 0 364.409 2.770 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ncn(C[N@@H+]3CC[C@@H](Cc4ccncc4)C3)n2)cc1 ZINC000782293097 1029645575 /nfs/dbraw/zinc/64/55/75/1029645575.db2.gz XEUHRJVIVZVRNJ-INIZCTEOSA-N 1 0 364.409 2.770 20 5 FFBDRO CCC[NH+]1C[C@H]2CN(c3nc(Cl)nc4ccc([N+](=O)[O-])cc43)C[C@@H]2C1 ZINC001157688680 1029645909 /nfs/dbraw/zinc/64/59/09/1029645909.db2.gz FOCUIMQXGIOAMC-RYUDHWBXSA-N 1 0 361.833 2.969 20 5 FFBDRO CCC[N@H+]1C[C@H]2CN(c3ccc(-c4ccc([N+](=O)[O-])cc4)nn3)C[C@H]2C1 ZINC001157690380 1029646717 /nfs/dbraw/zinc/64/67/17/1029646717.db2.gz DKLYQICQJAATFE-IYBDPMFKSA-N 1 0 353.426 2.830 20 5 FFBDRO CCC[NH+]1C[C@@H]2CN(c3ccc(-c4ccc([N+](=O)[O-])cc4)nn3)C[C@H]2C1 ZINC001157690379 1029647017 /nfs/dbraw/zinc/64/70/17/1029647017.db2.gz DKLYQICQJAATFE-HZPDHXFCSA-N 1 0 353.426 2.830 20 5 FFBDRO CCOC(=O)c1ccnc(N2C[C@@H](CC[NH3+])c3ccccc32)c1[N+](=O)[O-] ZINC001157751140 1029655099 /nfs/dbraw/zinc/65/50/99/1029655099.db2.gz CGKWEJSLZIIBOJ-GFCCVEGCSA-N 1 0 356.382 2.751 20 5 FFBDRO CCC[C@H](C(=O)c1ccccc1)N(C)c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001157761091 1029657248 /nfs/dbraw/zinc/65/72/48/1029657248.db2.gz ZUQYEDWYRMBDPY-OAHLLOKOSA-N 1 0 369.425 2.559 20 5 FFBDRO COc1ccc(CN(c2ccc([N+](=O)[O-])c(N)n2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001158158413 1029747038 /nfs/dbraw/zinc/74/70/38/1029747038.db2.gz NNQFGPJSQQJBTR-SHTZXODSSA-N 1 0 371.441 2.857 20 5 FFBDRO [NH3+][C@H]1CCN(C2CCN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)CC2)C1 ZINC001158268113 1029780066 /nfs/dbraw/zinc/78/00/66/1029780066.db2.gz ZIHWRHMYTPXEAO-INIZCTEOSA-N 1 0 367.453 2.659 20 5 FFBDRO COc1cc(N(c2ncc([N+](=O)[O-])c(C)c2C)C2CC[NH2+]CC2)ccn1 ZINC001158331197 1029798982 /nfs/dbraw/zinc/79/89/82/1029798982.db2.gz GEWMGKFIQJHBEN-UHFFFAOYSA-N 1 0 357.414 2.900 20 5 FFBDRO C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC001165200068 1029887627 /nfs/dbraw/zinc/88/76/27/1029887627.db2.gz AXTLKXFJIPZBKG-KGLIPLIRSA-N 1 0 371.397 2.997 20 5 FFBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1C[C@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001165202301 1029888277 /nfs/dbraw/zinc/88/82/77/1029888277.db2.gz MHVVUUQMGARVTF-LSDHHAIUSA-N 1 0 356.426 2.636 20 5 FFBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)n1 ZINC001165416468 1029971528 /nfs/dbraw/zinc/97/15/28/1029971528.db2.gz GWMPYQZKCOBTCA-KDOFPFPSSA-N 1 0 373.844 2.930 20 5 FFBDRO COc1cc(C)nc(N2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)c1[N+](=O)[O-] ZINC001165421274 1029975088 /nfs/dbraw/zinc/97/50/88/1029975088.db2.gz MAYDHZVRJURJIR-UZLBHIALSA-N 1 0 368.437 2.890 20 5 FFBDRO Cc1cccc(N(c2ccc([N+](=O)[O-])c(N)n2)[C@@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001165771794 1030118639 /nfs/dbraw/zinc/11/86/39/1030118639.db2.gz FJGKFCXCQQKZQG-KXBFYZLASA-N 1 0 369.425 2.540 20 5 FFBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001142221483 1030181097 /nfs/dbraw/zinc/18/10/97/1030181097.db2.gz FGGBLTJMDFYMNU-KGLIPLIRSA-N 1 0 371.441 2.835 20 5 FFBDRO CS(=O)(=O)N(c1cccc(C[NH3+])c1)c1ccc([N+](=O)[O-])c2cnccc21 ZINC001166471405 1030414916 /nfs/dbraw/zinc/41/49/16/1030414916.db2.gz MYMNZMMQGGINKA-UHFFFAOYSA-N 1 0 372.406 2.699 20 5 FFBDRO CS(=O)(=O)N(c1cccc(C[NH3+])c1)c1ccc2ncccc2c1[N+](=O)[O-] ZINC001166484938 1030419630 /nfs/dbraw/zinc/41/96/30/1030419630.db2.gz GEQJGDVDRQDQRU-UHFFFAOYSA-N 1 0 372.406 2.699 20 5 FFBDRO N=c1nc([C@H]2CCC[NH2+]2)ccn1-c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC001166702758 1030486905 /nfs/dbraw/zinc/48/69/05/1030486905.db2.gz RWDSTZKJXMELQJ-CQSZACIVSA-N 1 0 362.393 2.746 20 5 FFBDRO O=C(CCN1CCCC[C@H]1[C@H]1CCC[NH2+]1)Nc1cc([N+](=O)[O-])ccc1F ZINC000842473128 1030748069 /nfs/dbraw/zinc/74/80/69/1030748069.db2.gz PSORPNPXYLGNQQ-WBVHZDCISA-N 1 0 364.421 2.669 20 5 FFBDRO O=C1N(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCOC2)CCN1c1ccccc1[N+](=O)[O-] ZINC000842620101 1030835735 /nfs/dbraw/zinc/83/57/35/1030835735.db2.gz YRTATGJDMZCBII-HZPDHXFCSA-N 1 0 374.441 2.685 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(Cc2noc(C[C@H](C)C3CC[NH2+]CC3)n2)c1 ZINC000843223237 1031255842 /nfs/dbraw/zinc/25/58/42/1031255842.db2.gz MYNBAENPQFDEPZ-LBPRGKRZSA-N 1 0 360.414 2.755 20 5 FFBDRO Cc1c([N+](=O)[O-])cc(C(=O)NCC[NH2+]C2CCCCCC2)cc1[N+](=O)[O-] ZINC000843351603 1031345621 /nfs/dbraw/zinc/34/56/21/1031345621.db2.gz SBBMETDDJHJEIM-UHFFFAOYSA-N 1 0 364.402 2.854 20 5 FFBDRO CN(C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)C1CCC([NH3+])CC1 ZINC000843354834 1031346051 /nfs/dbraw/zinc/34/60/51/1031346051.db2.gz QFKWGFIHKVSZHW-UHFFFAOYSA-N 1 0 360.458 2.540 20 5 FFBDRO C[C@@]1(CNc2ccc3ncc([N+](=O)[O-])n3n2)CC[N@H+](Cc2ccccc2)C1 ZINC000798400800 1031392270 /nfs/dbraw/zinc/39/22/70/1031392270.db2.gz DDQPCCUMGBANHA-IBGZPJMESA-N 1 0 366.425 2.962 20 5 FFBDRO Cc1c(C(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000843502752 1031431959 /nfs/dbraw/zinc/43/19/59/1031431959.db2.gz FQVSONLUGSBACA-LBPRGKRZSA-N 1 0 362.386 2.524 20 5 FFBDRO C[NH+](C)CC[C@H](NC(=O)CCc1cc(F)ccc1[N+](=O)[O-])c1cccnc1 ZINC000830209010 1033511525 /nfs/dbraw/zinc/51/15/25/1033511525.db2.gz GRRIBCDADXOVNN-KRWDZBQOSA-N 1 0 374.416 2.871 20 5 FFBDRO C[C@H](CNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC001223656037 1033540178 /nfs/dbraw/zinc/54/01/78/1033540178.db2.gz RLCVIWZHLLCWDX-KGLIPLIRSA-N 1 0 350.463 2.974 20 5 FFBDRO Cc1cc2cc3ccc(N(C)C)cc3nc2cc1NC(=O)[C@H]([NH3+])CCC[NH3+] ZINC001219207929 1033556673 /nfs/dbraw/zinc/55/66/73/1033556673.db2.gz OKLUJVDCYUWXMG-QGZVFWFLSA-N 1 0 365.481 2.767 20 5 FFBDRO Cc1ccccc1[C@H]([C@H](C)NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000830729542 1033767556 /nfs/dbraw/zinc/76/75/56/1033767556.db2.gz WMJLXYSLANKICA-JVPBZIDWSA-N 1 0 371.437 2.744 20 5 FFBDRO C[NH+](C)C1(CNC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])CCC1 ZINC001138298700 1034089216 /nfs/dbraw/zinc/08/92/16/1034089216.db2.gz ZSGYMNNSFZZVCR-UHFFFAOYSA-N 1 0 354.410 2.871 20 5 FFBDRO C[C@@H](C[N+](C)(C)C)OC[C@@H]1C[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2O1 ZINC001225097929 1034126517 /nfs/dbraw/zinc/12/65/17/1034126517.db2.gz JUAIWXYYYDHDAB-YVSFHVDLSA-N 1 0 357.515 2.512 20 5 FFBDRO NC(=O)c1cc([N+](=O)[O-])ccc1O[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001226164046 1034553974 /nfs/dbraw/zinc/55/39/74/1034553974.db2.gz GFXBNOKTICKHIF-MRXNPFEDSA-N 1 0 355.394 2.737 20 5 FFBDRO C[NH+](C)CCCN1CCN(Cc2ccc3ccc4cccnc4c3n2)CC1 ZINC001232223678 1035503787 /nfs/dbraw/zinc/50/37/87/1035503787.db2.gz SEMMBDRRENPHBN-UHFFFAOYSA-N 1 0 363.509 2.852 20 5 FFBDRO CC(C)[NH+]1CCC(Oc2ccc3c(c2)oc2cc(=O)ccc-2[n+]3[O-])CC1 ZINC001227448231 1035557229 /nfs/dbraw/zinc/55/72/29/1035557229.db2.gz CQJPQQITLGOVOS-UHFFFAOYSA-N 1 0 354.406 2.783 20 5 FFBDRO C[C@H](c1ccccn1)[N@@H+]1CCC[C@@H](Oc2ncc([N+](=O)[O-])c3nc[nH]c32)C1 ZINC001227692262 1035675519 /nfs/dbraw/zinc/67/55/19/1035675519.db2.gz VQNJGUXVZNIZBF-CHWSQXEVSA-N 1 0 368.397 2.866 20 5 FFBDRO O=[N+]([O-])c1cnc(O[C@H]2CCC[N@H+](Cc3ccccc3)C2)c2[nH]cnc21 ZINC001227693135 1035677939 /nfs/dbraw/zinc/67/79/39/1035677939.db2.gz LWDSNJCECCRTHS-AWEZNQCLSA-N 1 0 353.382 2.910 20 5 FFBDRO Cc1cc2nc3nc(=O)[n-]c(O[C@H]4C[C@H]5CC[C@@H](C4)[N@H+]5C)c3nc2cc1C ZINC001228687435 1036256846 /nfs/dbraw/zinc/25/68/46/1036256846.db2.gz WNWHYIVETNLIBD-WDNDVIMCSA-N 1 0 365.437 2.899 20 5 FFBDRO CC[NH+](CC)C[C@H](C)Oc1cc(NC(C)=O)c([N+](=O)[O-])cc1C(C)=O ZINC001229128665 1036513094 /nfs/dbraw/zinc/51/30/94/1036513094.db2.gz BUXCQILKZIGQMM-NSHDSACASA-N 1 0 351.403 2.865 20 5 FFBDRO O=[N+]([O-])c1ccc(I)cc1O[C@@H]1C[NH+]2CCC1CC2 ZINC001229152969 1036525187 /nfs/dbraw/zinc/52/51/87/1036525187.db2.gz XUTSPJGLGINHPF-CYBMUJFWSA-N 1 0 374.178 2.672 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)ncnc2OC1CCN(c2cc[nH+]cc2)CC1 ZINC001229402843 1036653167 /nfs/dbraw/zinc/65/31/67/1036653167.db2.gz MCOGFEOFMZIING-UHFFFAOYSA-N 1 0 351.366 2.981 20 5 FFBDRO Cc1ccc(CNC(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC001229726989 1036851803 /nfs/dbraw/zinc/85/18/03/1036851803.db2.gz PNQHJVNDOZWCNV-UHFFFAOYSA-N 1 0 374.416 2.974 20 5 FFBDRO COc1ccc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3NC(C)=O)C2)cc1[N+](=O)[O-] ZINC000501713421 1037055157 /nfs/dbraw/zinc/05/51/57/1037055157.db2.gz IGLBOHVEGUONEQ-CQSZACIVSA-N 1 0 373.413 2.665 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(OC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)n1 ZINC001234881089 1037222587 /nfs/dbraw/zinc/22/25/87/1037222587.db2.gz LWWJWORCRLFULJ-MRXNPFEDSA-N 1 0 373.409 2.668 20 5 FFBDRO C[C@H](C(=O)N1CCN(c2cc[nH+]cc2)[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC001536994325 1070097878 /nfs/dbraw/zinc/09/78/78/1070097878.db2.gz IZIVUWFCPKSTBP-KBPBESRZSA-N 1 0 372.400 2.970 20 5 FFBDRO COC[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1)C(C)C ZINC001256083056 1038368281 /nfs/dbraw/zinc/36/82/81/1038368281.db2.gz MMHJPANVYFHCBU-INIZCTEOSA-N 1 0 351.447 2.833 20 5 FFBDRO COc1cc(N2CCC([NH2+][C@@H](CO)CC(C)C)CC2)ccc1[N+](=O)[O-] ZINC001256083583 1038368655 /nfs/dbraw/zinc/36/86/55/1038368655.db2.gz SYQPEXXKLOMJAV-OAHLLOKOSA-N 1 0 351.447 2.569 20 5 FFBDRO COc1cc(N2CCC([NH2+][C@H]3CCN(C4CCC4)C3)CC2)ccc1[N+](=O)[O-] ZINC001256088047 1038373185 /nfs/dbraw/zinc/37/31/85/1038373185.db2.gz BIWWARXESOMHHW-INIZCTEOSA-N 1 0 374.485 2.789 20 5 FFBDRO COc1cc(N2CCC([NH+]3CCN(C4CCC4)CC3)CC2)ccc1[N+](=O)[O-] ZINC001256093357 1038380443 /nfs/dbraw/zinc/38/04/43/1038380443.db2.gz KNUDBFHEVCEDTF-UHFFFAOYSA-N 1 0 374.485 2.742 20 5 FFBDRO COC(=O)CCCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC001256102851 1038386731 /nfs/dbraw/zinc/38/67/31/1038386731.db2.gz TXLXYEIAUHCRCX-UHFFFAOYSA-N 1 0 365.430 2.505 20 5 FFBDRO COC(=O)c1c(-c2nc3cc(C[NH+](C)C)ccc3[nH]2)cccc1[N+](=O)[O-] ZINC001251307247 1039060519 /nfs/dbraw/zinc/06/05/19/1039060519.db2.gz OHMIJIURVXPIJN-UHFFFAOYSA-N 1 0 354.366 2.986 20 5 FFBDRO Cc1cc(-c2nnc(CC[NH+]3C[C@H](C)O[C@@H](C)C3)o2)cc(C)c1[N+](=O)[O-] ZINC001258019422 1039117106 /nfs/dbraw/zinc/11/71/06/1039117106.db2.gz NQKQDWFFKNOPEB-KBPBESRZSA-N 1 0 360.414 2.913 20 5 FFBDRO Cc1cncc([N+](=O)[O-])c1NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC001258133893 1039211053 /nfs/dbraw/zinc/21/10/53/1039211053.db2.gz LVBPWNBVSKJPPU-MRXNPFEDSA-N 1 0 358.467 2.750 20 5 FFBDRO COC(=O)c1cccc(-c2nc3cc(C[NH+](C)C)ccc3[nH]2)c1[N+](=O)[O-] ZINC001251638969 1039220363 /nfs/dbraw/zinc/22/03/63/1039220363.db2.gz TYNKBVWUTLHQJS-UHFFFAOYSA-N 1 0 354.366 2.986 20 5 FFBDRO COc1ccc(C[C@@H](C)[NH2+]C[C@H]2Cc3ccccc3CN2)c([N+](=O)[O-])c1 ZINC001246282897 1039296086 /nfs/dbraw/zinc/29/60/86/1039296086.db2.gz VOJDFAQBVOLOOD-RDTXWAMCSA-N 1 0 355.438 2.839 20 5 FFBDRO COc1ccc(C[C@H](C)[NH2+]C[C@H]2Cc3ccccc3CN2)c([N+](=O)[O-])c1 ZINC001246282893 1039296667 /nfs/dbraw/zinc/29/66/67/1039296667.db2.gz VOJDFAQBVOLOOD-KBXCAEBGSA-N 1 0 355.438 2.839 20 5 FFBDRO CC[C@@H](O)C[NH2+]CCCNC(=O)c1c2ccccc2nc2ccccc21 ZINC001251817474 1039311008 /nfs/dbraw/zinc/31/10/08/1039311008.db2.gz MARAFOJPWBDUKM-OAHLLOKOSA-N 1 0 351.450 2.868 20 5 FFBDRO COc1cc(N2CCC([N@@H+]3C[C@H](C)CC[C@H]3CN)CC2)ccc1[N+](=O)[O-] ZINC001246555913 1039395756 /nfs/dbraw/zinc/39/57/56/1039395756.db2.gz INGQHGQDNATJBQ-PBHICJAKSA-N 1 0 362.474 2.631 20 5 FFBDRO CC[C@H]1C[NH2+]CCN1C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001246805164 1039487086 /nfs/dbraw/zinc/48/70/86/1039487086.db2.gz RGGJKODJIFCPBA-LBPRGKRZSA-N 1 0 354.401 2.526 20 5 FFBDRO [NH3+][C@H](Cc1nc(-c2cccn3ccnc23)no1)c1ccccc1[N+](=O)[O-] ZINC001249342174 1040693042 /nfs/dbraw/zinc/69/30/42/1040693042.db2.gz FRZQXWFVLAEFDZ-CYBMUJFWSA-N 1 0 350.338 2.535 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C3(CO)Cc4ccccc4C3)CC2)cc1 ZINC001254469431 1040735789 /nfs/dbraw/zinc/73/57/89/1040735789.db2.gz ODJVUOAYHYGJIA-UHFFFAOYSA-N 1 0 367.449 2.683 20 5 FFBDRO CCS(=O)(=O)c1ccc(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])cn1 ZINC001254531970 1040783193 /nfs/dbraw/zinc/78/31/93/1040783193.db2.gz HVJJXJKTXUXCJT-ZDUSSCGKSA-N 1 0 363.439 2.504 20 5 FFBDRO CCn1c(=O)ccc2c1CC[C@@H]([NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])C2 ZINC001254535403 1040785061 /nfs/dbraw/zinc/78/50/61/1040785061.db2.gz JEHXEWYHGRSAFX-RHSMWYFYSA-N 1 0 355.438 2.855 20 5 FFBDRO COC(=O)C[C@H]([NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1cccc(O)c1 ZINC001254580505 1040811910 /nfs/dbraw/zinc/81/19/10/1040811910.db2.gz FYUOXLLOTLYTMX-QAPCUYQASA-N 1 0 356.378 2.662 20 5 FFBDRO O=C1Nc2cc(Cl)ccc2C[C@@H]1[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254581570 1040814905 /nfs/dbraw/zinc/81/49/05/1040814905.db2.gz OLLMVZPBJJOFHI-PBHICJAKSA-N 1 0 357.797 2.868 20 5 FFBDRO Cc1noc([C@@H]2CC[C@@H]3[C@@H](CC[N@@H+]3[C@H]3Cc4ccc([N+](=O)[O-])cc4C3)O2)n1 ZINC001254595247 1040825290 /nfs/dbraw/zinc/82/52/90/1040825290.db2.gz HRULBHDSMMAXQC-MLHJIOFPSA-N 1 0 370.409 2.748 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CC[C@]3(C[C@H](OCC4CC4)CO3)C1)C2 ZINC001254599922 1040829818 /nfs/dbraw/zinc/82/98/18/1040829818.db2.gz MVANZBUKBBWDBR-AABGKKOBSA-N 1 0 358.438 2.722 20 5 FFBDRO CC1(C(=O)N2CCCC2)CC[NH+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254602427 1040832236 /nfs/dbraw/zinc/83/22/36/1040832236.db2.gz FQCOKYIYGXAXHM-GOSISDBHSA-N 1 0 357.454 2.787 20 5 FFBDRO O=C(NC1CC[NH+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1)C1CCCC1 ZINC001254600887 1040832480 /nfs/dbraw/zinc/83/24/80/1040832480.db2.gz RXYFIHCAIYRQNK-LJQANCHMSA-N 1 0 357.454 2.833 20 5 FFBDRO Cc1cccc(N2CCC[N@@H+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC2)n1 ZINC001254607278 1040833947 /nfs/dbraw/zinc/83/39/47/1040833947.db2.gz KQCFLOJIRZOFRD-LJQANCHMSA-N 1 0 352.438 2.978 20 5 FFBDRO O=C(c1ccccc1)N1CCC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254609419 1040836941 /nfs/dbraw/zinc/83/69/41/1040836941.db2.gz WPEKZDLCLPJKKY-FQEVSTJZSA-N 1 0 365.433 2.910 20 5 FFBDRO O=C1c2ccccc2CN1[C@H]1CC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254611029 1040839048 /nfs/dbraw/zinc/83/90/48/1040839048.db2.gz ONIOULCSNNIAIB-RBUKOAKNSA-N 1 0 363.417 2.792 20 5 FFBDRO CN1CCN(C(=O)c2ccc3[nH]c(-c4ccccc4[N+](=O)[O-])nc3c2)CC1 ZINC001250746361 1041340715 /nfs/dbraw/zinc/34/07/15/1041340715.db2.gz YTBRBGJITBBOJA-UHFFFAOYSA-N 1 0 365.393 2.526 20 5 FFBDRO Cc1cc(C)c(NC(=O)C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC001262596171 1041743924 /nfs/dbraw/zinc/74/39/24/1041743924.db2.gz UXXKGTWZQYWEIJ-KRWDZBQOSA-N 1 0 357.410 2.782 20 5 FFBDRO CC(C)(C)n1cncc1[C@H]1CCCN(c2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC001262723015 1041816567 /nfs/dbraw/zinc/81/65/67/1041816567.db2.gz BSCSSCRRRADZRU-ZDUSSCGKSA-N 1 0 369.429 2.973 20 5 FFBDRO C[N@@H+]1C[C@@]23CN(C(=O)c4cc(F)c(F)cc4[N+](=O)[O-])C[C@]2(C1)CCCC3 ZINC001262822089 1041877829 /nfs/dbraw/zinc/87/78/29/1041877829.db2.gz MFGSDINMPSIKRO-HDICACEKSA-N 1 0 365.380 2.821 20 5 FFBDRO C[NH+](C)C1(CNC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)CCCCC1 ZINC001538448599 1070435009 /nfs/dbraw/zinc/43/50/09/1070435009.db2.gz DBDDBFKNOYIGMA-UHFFFAOYSA-N 1 0 354.838 2.825 20 5 FFBDRO C[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ccc(-c2ccccc2)cc1 ZINC001265842684 1042882054 /nfs/dbraw/zinc/88/20/54/1042882054.db2.gz FSZXXFPVVDEFDY-WOJBJXKFSA-N 1 0 367.449 2.957 20 5 FFBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001310517774 1043700750 /nfs/dbraw/zinc/70/07/50/1043700750.db2.gz CHWNXWZCMCECTC-ZIAGYGMSSA-N 1 0 363.462 2.600 20 5 FFBDRO C[NH+](C)CC[C@@H](NC(=O)NCCc1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC001311660243 1043957471 /nfs/dbraw/zinc/95/74/71/1043957471.db2.gz BOASQQCYCXWXNW-GOSISDBHSA-N 1 0 371.441 2.525 20 5 FFBDRO C[NH+]1CCN(C(C)(C)CNc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC001318185370 1045237353 /nfs/dbraw/zinc/23/73/53/1045237353.db2.gz SJZFPOGJCNPKCG-UHFFFAOYSA-N 1 0 371.279 2.795 20 5 FFBDRO C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001318425547 1045297329 /nfs/dbraw/zinc/29/73/29/1045297329.db2.gz GWQJKFCHUDLEPA-SJORKVTESA-N 1 0 374.485 2.800 20 5 FFBDRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001323275246 1045526214 /nfs/dbraw/zinc/52/62/14/1045526214.db2.gz SBBGQZDYGLPSPF-GJZGRUSLSA-N 1 0 360.458 2.988 20 5 FFBDRO C[C@@H]1CCCN(C(=O)CC[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC001322121229 1045960012 /nfs/dbraw/zinc/96/00/12/1045960012.db2.gz PBJHROOALGGGAI-BZUAXINKSA-N 1 0 363.462 2.513 20 5 FFBDRO COC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC001322682735 1046179113 /nfs/dbraw/zinc/17/91/13/1046179113.db2.gz JXLRIZDDBQVUBE-JQWIXIFHSA-N 1 0 357.204 2.789 20 5 FFBDRO C[N@@H+]1C[C@@]23CN(C(=O)/C=C/c4ccc([N+](=O)[O-])cc4)C[C@]2(C1)CCCC3 ZINC001540270186 1070812403 /nfs/dbraw/zinc/81/24/03/1070812403.db2.gz DJTQPWJIUNCKOW-FMNOIEFDSA-N 1 0 355.438 2.942 20 5 FFBDRO Cc1cncc([N+](=O)[O-])c1N(C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC001326475293 1046948213 /nfs/dbraw/zinc/94/82/13/1046948213.db2.gz ORSGJBKGPXANQM-UHFFFAOYSA-N 1 0 369.469 2.552 20 5 FFBDRO COc1cccc2cc(C[NH2+]C[C@@H](O)COc3ccccc3[N+](=O)[O-])oc21 ZINC001326600323 1046996466 /nfs/dbraw/zinc/99/64/66/1046996466.db2.gz VPTLOOFTLPLQCX-CQSZACIVSA-N 1 0 372.377 2.879 20 5 FFBDRO C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1C(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001289292477 1047619244 /nfs/dbraw/zinc/61/92/44/1047619244.db2.gz FKLVPLXHQZNFFU-ANQUJSFKSA-N 1 0 372.469 2.967 20 5 FFBDRO CCC1([NH2+]Cc2cc(C)ccc2C)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001327448712 1047900079 /nfs/dbraw/zinc/90/00/79/1047900079.db2.gz GMVIWKQNVGXAJK-QZTJIDSGSA-N 1 0 359.470 2.829 20 5 FFBDRO CC1(C)[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)[C@@H]2CCC[NH2+][C@H]21 ZINC001332014333 1048212088 /nfs/dbraw/zinc/21/20/88/1048212088.db2.gz RUIXPMLHWNYAEZ-ZTFGCOKTSA-N 1 0 372.469 2.701 20 5 FFBDRO C[C@]1(CO)C[C@H](O)C[N@@H+]1Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001332718784 1048525464 /nfs/dbraw/zinc/52/54/64/1048525464.db2.gz USSKWYINLXSSGM-YVEFUNNKSA-N 1 0 366.801 2.826 20 5 FFBDRO O=[N+]([O-])c1ccc2[nH]c(CN3CCC[C@](O)(c4ccccc4)C3)nc2c1 ZINC001328958245 1048533469 /nfs/dbraw/zinc/53/34/69/1048533469.db2.gz YBYZIDQSMMHKCS-LJQANCHMSA-N 1 0 352.394 2.955 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)C(F)(F)c3ccc([N+](=O)[O-])cc3)C[C@H]2C1 ZINC001334446104 1049426799 /nfs/dbraw/zinc/42/67/99/1049426799.db2.gz WPMRWDJRVOGJNT-XJKCOSOUSA-N 1 0 367.396 2.875 20 5 FFBDRO O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC[C@]12CC[NH2+]C2 ZINC001341609650 1050236014 /nfs/dbraw/zinc/23/60/14/1050236014.db2.gz NOWNFTLLRXSIBT-QGZVFWFLSA-N 1 0 358.423 2.686 20 5 FFBDRO [NH3+][C@@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[C@H]1C(F)(F)F ZINC001341707499 1050327747 /nfs/dbraw/zinc/32/77/47/1050327747.db2.gz DNUNKHWICYFTNT-NXEZZACHSA-N 1 0 351.712 2.600 20 5 FFBDRO C[NH2+][C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1SC)Cc1ccccc1 ZINC001341767840 1050383736 /nfs/dbraw/zinc/38/37/36/1050383736.db2.gz RMYKULVTRKMWCH-CQSZACIVSA-N 1 0 359.451 2.877 20 5 FFBDRO CN(CC1CC[NH2+]CC1)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC001342122002 1050715411 /nfs/dbraw/zinc/71/54/11/1050715411.db2.gz VMYAVZUPGNTFEW-UHFFFAOYSA-N 1 0 363.461 2.613 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC001342235334 1050824918 /nfs/dbraw/zinc/82/49/18/1050824918.db2.gz OVYPJNZAWSCKQG-YWZLYKJASA-N 1 0 367.405 2.889 20 5 FFBDRO CN(CC(=O)N1C[C@@H](CC[NH3+])c2ccccc21)c1ccccc1[N+](=O)[O-] ZINC001340776529 1051125923 /nfs/dbraw/zinc/12/59/23/1051125923.db2.gz DHBKTRCGKARWSJ-CQSZACIVSA-N 1 0 354.410 2.510 20 5 FFBDRO CCCC[N@H+](C)CC1CCN(c2nnc([C@H](C)[N+](=O)[O-])n2CC)CC1 ZINC001340879807 1051212588 /nfs/dbraw/zinc/21/25/88/1051212588.db2.gz YVTIXUXVBGZUDJ-AWEZNQCLSA-N 1 0 352.483 2.584 20 5 FFBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC001340941510 1051272435 /nfs/dbraw/zinc/27/24/35/1051272435.db2.gz WYBHNBIWJKVTCH-KCJUWKMLSA-N 1 0 363.361 2.526 20 5 FFBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC001341134680 1051484743 /nfs/dbraw/zinc/48/47/43/1051484743.db2.gz BATMULOQWKTNOJ-OAHLLOKOSA-N 1 0 361.442 2.602 20 5 FFBDRO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)C2 ZINC001343119802 1051738665 /nfs/dbraw/zinc/73/86/65/1051738665.db2.gz NQFUODARCNZULY-LZWOXQAQSA-N 1 0 358.442 2.537 20 5 FFBDRO C[C@@H](CNC(=O)Cc1cccc2c1CC[NH2+]C2)c1ccccc1[N+](=O)[O-] ZINC001341429213 1051784497 /nfs/dbraw/zinc/78/44/97/1051784497.db2.gz QBYPBIUTEKSKGO-AWEZNQCLSA-N 1 0 353.422 2.703 20 5 FFBDRO CC(C)[NH2+][C@@H]1CCCN(C(=O)COc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC001306485056 1052133284 /nfs/dbraw/zinc/13/32/84/1052133284.db2.gz GZHWORSFABJMDK-CQSZACIVSA-N 1 0 372.425 2.511 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC001306818465 1052192238 /nfs/dbraw/zinc/19/22/38/1052192238.db2.gz DJVJJHPRZQNMPX-HKUYNNGSSA-N 1 0 369.421 2.913 20 5 FFBDRO O=[N+]([O-])c1cc2c(nc1N1CC[NH2+][C@H](c3ccc(O)cc3)C1)CCCC2 ZINC001307201927 1052266741 /nfs/dbraw/zinc/26/67/41/1052266741.db2.gz RKVFQSIJLYLGPD-KRWDZBQOSA-N 1 0 354.410 2.725 20 5 FFBDRO Cc1cc(N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)c([N+](=O)[O-])cc1C(F)(F)F ZINC001307227610 1052271883 /nfs/dbraw/zinc/27/18/83/1052271883.db2.gz IVTJVYWUTSJWBV-UONOGXRCSA-N 1 0 373.375 2.957 20 5 FFBDRO CNC(=O)CC[C@@H]1CCCC[N@@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001307748386 1052344390 /nfs/dbraw/zinc/34/43/90/1052344390.db2.gz ORGJUKLHIMCHGV-ZDUSSCGKSA-N 1 0 373.413 2.526 20 5 FFBDRO CC1(C)CCC[C@H](C[NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC001308258634 1052438387 /nfs/dbraw/zinc/43/83/87/1052438387.db2.gz ACHBVSQNINKAKO-AWEZNQCLSA-N 1 0 369.487 2.679 20 5 FFBDRO COc1cc(C[NH2+]C[C@@H](O)c2c(F)cccc2Cl)c([N+](=O)[O-])cc1O ZINC001308282763 1052441110 /nfs/dbraw/zinc/44/11/10/1052441110.db2.gz NDWXTAUEMBLOIM-CQSZACIVSA-N 1 0 370.764 2.925 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NCC[N@@H+](C)C2CCCCC2)c1 ZINC001309102756 1052554933 /nfs/dbraw/zinc/55/49/33/1052554933.db2.gz KKQDHOGKBJVPSA-UHFFFAOYSA-N 1 0 369.487 2.754 20 5 FFBDRO [NH3+]CCCN(CC(F)(F)F)C(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC001344529856 1052820283 /nfs/dbraw/zinc/82/02/83/1052820283.db2.gz QLQMRUJWSBIKKU-UHFFFAOYSA-N 1 0 367.755 2.921 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)C[C@@H]2C1 ZINC001335234977 1053266337 /nfs/dbraw/zinc/26/63/37/1053266337.db2.gz PFGTWSJLUQOYTR-YQQAZPJKSA-N 1 0 372.469 2.971 20 5 FFBDRO C[C@H](C[C@@H](C)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)NC(=O)OC(C)(C)C ZINC001335339788 1053305218 /nfs/dbraw/zinc/30/52/18/1053305218.db2.gz WFICJGMJUALESS-XJKCOSOUSA-N 1 0 367.446 2.910 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)c(C(F)(F)F)c1 ZINC001335565342 1053439008 /nfs/dbraw/zinc/43/90/08/1053439008.db2.gz HYZISUMGJLTTMR-LSDHHAIUSA-N 1 0 359.348 2.649 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)c(C(F)(F)F)c1 ZINC001335565336 1053439313 /nfs/dbraw/zinc/43/93/13/1053439313.db2.gz HYZISUMGJLTTMR-CABCVRRESA-N 1 0 359.348 2.649 20 5 FFBDRO COCC[C@]1([NH2+]Cc2cc([N+](=O)[O-])ccc2Br)CCOC1 ZINC001335957495 1053671400 /nfs/dbraw/zinc/67/14/00/1053671400.db2.gz CTEGMDOYDWKXJS-AWEZNQCLSA-N 1 0 359.220 2.643 20 5 FFBDRO COc1ccc(NC(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC001347483823 1054031585 /nfs/dbraw/zinc/03/15/85/1054031585.db2.gz LUIJYETZTDIWGI-CQSZACIVSA-N 1 0 362.430 2.943 20 5 FFBDRO COc1cccc([C@@H]2CN(C(=O)c3cc(C)ccc3[N+](=O)[O-])CCN2)c1 ZINC001337379100 1054703441 /nfs/dbraw/zinc/70/34/41/1054703441.db2.gz SOYVOHKHHULFAN-KRWDZBQOSA-N 1 0 355.394 2.699 20 5 FFBDRO C[C@@H]1CN(c2ncc([N+](=O)[O-])c3ccccc32)CC[C@H]1[NH+]1CCN(C)CC1 ZINC001337387048 1054709542 /nfs/dbraw/zinc/70/95/42/1054709542.db2.gz HPRGDVOPSADTJH-CRAIPNDOSA-N 1 0 369.469 2.605 20 5 FFBDRO COc1ccc(NC(=O)[C@H]2CCCCN2Cc2cccnc2)cc1[N+](=O)[O-] ZINC001337591348 1054872775 /nfs/dbraw/zinc/87/27/75/1054872775.db2.gz QHIMRQGCQXUWNK-MRXNPFEDSA-N 1 0 370.409 2.992 20 5 FFBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)[C@@H]3CCC(F)(F)C3)c2)CC1 ZINC001337703491 1054957977 /nfs/dbraw/zinc/95/79/77/1054957977.db2.gz JSRJAOKOSNRSLT-GFCCVEGCSA-N 1 0 368.384 2.721 20 5 FFBDRO O=C(c1cc(N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)ccc1[N+](=O)[O-])N1CCCC1 ZINC001337735670 1054979465 /nfs/dbraw/zinc/97/94/65/1054979465.db2.gz XLQNDDPGLYQQBM-AEFFLSMTSA-N 1 0 358.442 2.870 20 5 FFBDRO Cn1c(-c2csc([N+](=O)[O-])c2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001338704042 1055745358 /nfs/dbraw/zinc/74/53/58/1055745358.db2.gz ZSSDNCAJQHXXBD-ZDUSSCGKSA-N 1 0 362.459 2.516 20 5 FFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@]12C[C@H]1COC21CCC1 ZINC001352749670 1055762310 /nfs/dbraw/zinc/76/23/10/1055762310.db2.gz JPUHAYBPUOPVBG-SUNYJGFJSA-N 1 0 359.426 2.861 20 5 FFBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](C2CCC(C)CC2)CC1 ZINC001339125618 1056118151 /nfs/dbraw/zinc/11/81/51/1056118151.db2.gz CXUIKLFPGLYRHO-UHFFFAOYSA-N 1 0 360.458 2.973 20 5 FFBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NC1(C2CC[NH2+]CC2)CC1 ZINC001358453307 1056319548 /nfs/dbraw/zinc/31/95/48/1056319548.db2.gz PMJQWHFYENPVHT-UHFFFAOYSA-N 1 0 369.874 2.989 20 5 FFBDRO CN1CC[NH+](CC2CCN(c3ccnc4c3cccc4[N+](=O)[O-])CC2)CC1 ZINC001339546946 1056570160 /nfs/dbraw/zinc/57/01/60/1056570160.db2.gz LBZJBHSACMETGO-UHFFFAOYSA-N 1 0 369.469 2.607 20 5 FFBDRO CC[N@H+](Cc1ccc(C(=O)OCc2cn(C)nc2[N+](=O)[O-])cc1)C(C)C ZINC000847784862 1056618790 /nfs/dbraw/zinc/61/87/90/1056618790.db2.gz BGVDTILPBCJTOV-UHFFFAOYSA-N 1 0 360.414 2.916 20 5 FFBDRO CCn1c(-c2cc(C)cc([N+](=O)[O-])c2)nnc1N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC001339653791 1056680524 /nfs/dbraw/zinc/68/05/24/1056680524.db2.gz OVKYOZOWNKJVRV-YOEHRIQHSA-N 1 0 370.457 2.712 20 5 FFBDRO CCn1c(-c2cc(C)cc([N+](=O)[O-])c2)nnc1N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC001339653790 1056680874 /nfs/dbraw/zinc/68/08/74/1056680874.db2.gz OVKYOZOWNKJVRV-WMLDXEAASA-N 1 0 370.457 2.712 20 5 FFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)OC1CC[NH+](CCOC)CC1 ZINC000847885124 1058331722 /nfs/dbraw/zinc/33/17/22/1058331722.db2.gz ZUACDCYIBSGCAH-MRXNPFEDSA-N 1 0 364.442 2.818 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)n1 ZINC001518643021 1058448909 /nfs/dbraw/zinc/44/89/09/1058448909.db2.gz PFGIARDXZYANQE-HOCLYGCPSA-N 1 0 354.410 2.864 20 5 FFBDRO C[C@H](COC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)[NH+]1CCCCC1 ZINC000847962410 1058525403 /nfs/dbraw/zinc/52/54/03/1058525403.db2.gz GDPVERWLISTBQU-CQSZACIVSA-N 1 0 358.398 2.812 20 5 FFBDRO CS[C@H]1CN(C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1[NH+](C)C ZINC001447106522 1058597688 /nfs/dbraw/zinc/59/76/88/1058597688.db2.gz QGGRMZQFFBYNOO-CABCVRRESA-N 1 0 371.890 2.685 20 5 FFBDRO CC(C)[N@@H+]1CCCN(c2nnc([C@@H](C)[N+](=O)[O-])n2Cc2ccccc2)CC1 ZINC001354296898 1058822811 /nfs/dbraw/zinc/82/28/11/1058822811.db2.gz JCKQYPQKBFOZNI-MRXNPFEDSA-N 1 0 372.473 2.585 20 5 FFBDRO CCC1([NH2+]Cc2ccccc2Cl)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001502494926 1058864489 /nfs/dbraw/zinc/86/44/89/1058864489.db2.gz SXYBCRKFRVXBFY-GDBMZVCRSA-N 1 0 365.861 2.866 20 5 FFBDRO C[N@H+](CCN(Cc1ccccc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ccccc1 ZINC001354674695 1059349347 /nfs/dbraw/zinc/34/93/47/1059349347.db2.gz JHSAZNDOUBPTIM-WOJBJXKFSA-N 1 0 367.449 2.812 20 5 FFBDRO O=C(NCC12CCC[NH+](CCC1)C2)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001454364912 1059515663 /nfs/dbraw/zinc/51/56/63/1059515663.db2.gz OIULGGIGKYNMNI-UHFFFAOYSA-N 1 0 369.425 2.591 20 5 FFBDRO C[NH+](C)C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)c1cccc(C(F)(F)F)c1 ZINC001454542426 1059557943 /nfs/dbraw/zinc/55/79/43/1059557943.db2.gz SRHJLZAYRYERCV-CQSZACIVSA-N 1 0 370.331 2.974 20 5 FFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CCC[N@H+](CC/C=C/c1ccccc1)C2 ZINC001506862104 1059575507 /nfs/dbraw/zinc/57/55/07/1059575507.db2.gz JKBNJPWGJCVZBJ-SAKPZHGXSA-N 1 0 369.465 2.680 20 5 FFBDRO Nc1c(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCCCC2)cc(F)cc1[N+](=O)[O-] ZINC001454872720 1059635522 /nfs/dbraw/zinc/63/55/22/1059635522.db2.gz DJWBUXDYKSESMV-AWEZNQCLSA-N 1 0 364.421 2.843 20 5 FFBDRO O=[N+]([O-])c1cnc(N2CCC[N@H+](Cc3ccccc3)CCOCC2)c(F)c1 ZINC001472888653 1059666953 /nfs/dbraw/zinc/66/69/53/1059666953.db2.gz KXVXQJZYSNIWMA-UHFFFAOYSA-N 1 0 374.416 2.858 20 5 FFBDRO CCCC[N@H+](C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)OC ZINC001547003349 1071901254 /nfs/dbraw/zinc/90/12/54/1071901254.db2.gz USGOOXAQBVKMKN-UHFFFAOYSA-N 1 0 362.434 2.583 20 5 FFBDRO COC(=O)[C@H](C)C[N@H+](Cn1cc(-c2ccccc2[N+](=O)[O-])cn1)C1CC1 ZINC000848477120 1060098650 /nfs/dbraw/zinc/09/86/50/1060098650.db2.gz OWMOZIFWKPPOJM-CYBMUJFWSA-N 1 0 358.398 2.689 20 5 FFBDRO CCOC[C@@H]1CCC[N@H+](CN2CC[C@H](c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000848478907 1060106330 /nfs/dbraw/zinc/10/63/30/1060106330.db2.gz OLBKVWSTNFFWAH-CRAIPNDOSA-N 1 0 361.442 2.617 20 5 FFBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C1 ZINC000848483145 1060121152 /nfs/dbraw/zinc/12/11/52/1060121152.db2.gz YUPQNXYUUYPKQJ-QAPCUYQASA-N 1 0 355.442 2.832 20 5 FFBDRO CC1([C@@H]2CCC[N@H+](Cn3cc(-c4ccccc4[N+](=O)[O-])cn3)C2)OCCO1 ZINC000848484456 1060128712 /nfs/dbraw/zinc/12/87/12/1060128712.db2.gz LGJMKVSUQZSCTM-MRXNPFEDSA-N 1 0 372.425 2.891 20 5 FFBDRO COc1ccc(NC(=O)NCC2CC[NH+](CC3CC3)CC2)c([N+](=O)[O-])c1 ZINC001517333132 1060449072 /nfs/dbraw/zinc/44/90/72/1060449072.db2.gz OUZQQSZJAMJABO-UHFFFAOYSA-N 1 0 362.430 2.847 20 5 FFBDRO O=[N+]([O-])c1ccc(C(F)(F)F)cc1N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC001458165642 1060530238 /nfs/dbraw/zinc/53/02/38/1060530238.db2.gz LRIPEBGONFEIBZ-UKRRQHHQSA-N 1 0 359.348 2.649 20 5 FFBDRO C[C@H]1CN(c2c3cc([N+](=O)[O-])ccc3ncc2[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC001458407525 1060585427 /nfs/dbraw/zinc/58/54/27/1060585427.db2.gz ODVLATVKELANFT-GFCCVEGCSA-N 1 0 371.397 2.972 20 5 FFBDRO O=[N+]([O-])c1c(Br)cccc1N1CC[NH+](CCCCCO)CC1 ZINC001458519970 1060611814 /nfs/dbraw/zinc/61/18/14/1060611814.db2.gz YBBFKVGXDCXSIL-UHFFFAOYSA-N 1 0 372.263 2.642 20 5 FFBDRO CC(C)Oc1nc(N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)ccc1[N+](=O)[O-] ZINC001458594253 1060630068 /nfs/dbraw/zinc/63/00/68/1060630068.db2.gz MBFRLEAUJPTARW-JSGCOSHPSA-N 1 0 352.460 2.769 20 5 FFBDRO C[C@@](O)(C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1)c1ccc(F)cc1 ZINC001459316057 1060746930 /nfs/dbraw/zinc/74/69/30/1060746930.db2.gz XDOXDJJCHKDONC-LJQANCHMSA-N 1 0 359.401 2.764 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)CCc1ccc2c(c1)OCO2 ZINC001460787890 1061102517 /nfs/dbraw/zinc/10/25/17/1061102517.db2.gz KKFYLFSCRYKBHU-UHFFFAOYSA-N 1 0 371.393 2.745 20 5 FFBDRO Cc1c(C[NH2+]C[C@H]2COCCN2C(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC001461678513 1061375946 /nfs/dbraw/zinc/37/59/46/1061375946.db2.gz ZTKQENNFYNDMEO-HNNXBMFYSA-N 1 0 365.430 2.629 20 5 FFBDRO COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC001462547122 1061664793 /nfs/dbraw/zinc/66/47/93/1061664793.db2.gz DNKUMILCNNAMAE-XXILOJSOSA-N 1 0 357.204 2.645 20 5 FFBDRO COc1c(O)ccc(C[NH2+]C[C@H](CO)c2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC001462557840 1061670229 /nfs/dbraw/zinc/67/02/29/1061670229.db2.gz ZFIWIQVUENYKMT-CYBMUJFWSA-N 1 0 366.801 2.828 20 5 FFBDRO CC[NH+](CC)CC[C@H](C)NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC001529415644 1062305376 /nfs/dbraw/zinc/30/53/76/1062305376.db2.gz QXJWTRJLBUCULW-LBPRGKRZSA-N 1 0 360.414 2.699 20 5 FFBDRO CC[NH+](CC)CC[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC001522858252 1062311147 /nfs/dbraw/zinc/31/11/47/1062311147.db2.gz QNQOGUYGCFDRNA-AWEZNQCLSA-N 1 0 359.430 2.631 20 5 FFBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NCc1ccc2c[nH+]cn2c1 ZINC001436626684 1062751334 /nfs/dbraw/zinc/75/13/34/1062751334.db2.gz FEJCXYAGEKFVDW-UHFFFAOYSA-N 1 0 362.748 2.894 20 5 FFBDRO CC[NH+]1CCN(c2cc(N(C)C(=O)[C@H](C)C3CC3)cc([N+](=O)[O-])c2)CC1 ZINC001438313420 1062983940 /nfs/dbraw/zinc/98/39/40/1062983940.db2.gz CEBOCHCBYSJWNI-CQSZACIVSA-N 1 0 360.458 2.746 20 5 FFBDRO Cc1cccc(C[N@@H+]2CC[C@H](NC(=O)Cc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC001470711036 1064421469 /nfs/dbraw/zinc/42/14/69/1064421469.db2.gz JOWRZBRWIGQHOH-SFHVURJKSA-N 1 0 353.422 2.836 20 5 FFBDRO C[N@@H+]1CCCC[C@H]1CCC(=O)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001472495930 1065082141 /nfs/dbraw/zinc/08/21/41/1065082141.db2.gz FMTSEJOVXMEGDO-SFHVURJKSA-N 1 0 374.485 2.504 20 5 FFBDRO COc1cc[nH+]c(N2CCN(c3ncc([N+](=O)[O-])c4ccccc43)CC2)c1 ZINC001472689208 1065128787 /nfs/dbraw/zinc/12/87/87/1065128787.db2.gz XGARUZKIFIKSMX-UHFFFAOYSA-N 1 0 365.393 2.873 20 5 FFBDRO CC(C)(O)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C1 ZINC001472849574 1065157659 /nfs/dbraw/zinc/15/76/59/1065157659.db2.gz HKGGVIAYIUBDOA-HNNXBMFYSA-N 1 0 356.426 2.914 20 5 FFBDRO CCOC(=O)CC[N@@H+](Cc1cc(C(=O)OC)ccc1[N+](=O)[O-])CC1CC1 ZINC001473132547 1065204612 /nfs/dbraw/zinc/20/46/12/1065204612.db2.gz BILIXUSACHAWBI-UHFFFAOYSA-N 1 0 364.398 2.547 20 5 FFBDRO C[C@@H]([NH2+]CC(=O)NCCOc1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC001473783784 1065359039 /nfs/dbraw/zinc/35/90/39/1065359039.db2.gz LFEOVDPYRAXIGU-CYBMUJFWSA-N 1 0 361.373 2.580 20 5 FFBDRO C[C@@H]1CN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C1CCCC1 ZINC001473798677 1065367188 /nfs/dbraw/zinc/36/71/88/1065367188.db2.gz VNMVBOCOEQPSBI-OAHLLOKOSA-N 1 0 360.458 2.506 20 5 FFBDRO O=C(CC[N@@H+]1CCC[C@H](c2ncccn2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC001473804700 1065370853 /nfs/dbraw/zinc/37/08/53/1065370853.db2.gz IOAPOTKQUYJWTG-ZDUSSCGKSA-N 1 0 373.388 2.732 20 5 FFBDRO COc1ccc(C[NH2+][C@H]2C[C@@H](C)N(c3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC001474025255 1065441172 /nfs/dbraw/zinc/44/11/72/1065441172.db2.gz YPBWYYBJUIACGU-CJNGLKHVSA-N 1 0 355.394 2.887 20 5 FFBDRO COc1c(O)ccc(CN2CC[NH+](CCc3ccccc3)CC2)c1[N+](=O)[O-] ZINC001474408365 1065515045 /nfs/dbraw/zinc/51/50/45/1065515045.db2.gz QMEAKXMUBYZYDO-UHFFFAOYSA-N 1 0 371.437 2.669 20 5 FFBDRO C[C@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)c1ccc(N2CCOC2=O)cc1 ZINC001474537809 1065546709 /nfs/dbraw/zinc/54/67/09/1065546709.db2.gz MMPSGDSNIJAKKQ-YGONEPDPSA-N 1 0 371.397 2.802 20 5 FFBDRO C[C@@H]1C[C@@H]1n1c([C@H]2C[C@@H]([NH3+])C2)nnc1N(C)Cc1ccccc1[N+](=O)[O-] ZINC001576635087 1078253113 /nfs/dbraw/zinc/25/31/13/1078253113.db2.gz OTFVZZSOBJEYBQ-UYHMYPTGSA-N 1 0 356.430 2.608 20 5 FFBDRO CC/C=C\Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](C[NH3+])C1 ZINC001577312714 1078336185 /nfs/dbraw/zinc/33/61/85/1078336185.db2.gz LFPQETDDJVQUNO-NQHOJNORSA-N 1 0 356.430 2.605 20 5 FFBDRO CC[NH2+]CCn1c(N(C)CCc2cccc([N+](=O)[O-])c2)nnc1C(C)(C)C ZINC001577873258 1078410334 /nfs/dbraw/zinc/41/03/34/1078410334.db2.gz CDWSZLWEYLCLAQ-UHFFFAOYSA-N 1 0 374.489 2.772 20 5 FFBDRO C[NH2+]CCn1c(C2CCCC2)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001578726620 1078524094 /nfs/dbraw/zinc/52/40/94/1078524094.db2.gz GQSHKRGNSHGBNC-UHFFFAOYSA-N 1 0 370.457 2.626 20 5 FFBDRO C[N@H+](CCCNc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])C1CCCCC1 ZINC001579128783 1078573353 /nfs/dbraw/zinc/57/33/53/1078573353.db2.gz ZWULEHOOZHRLQA-UHFFFAOYSA-N 1 0 359.434 2.841 20 5 FFBDRO Cc1c(NC(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)cc([N+](=O)[O-])cc1C(F)(F)F ZINC001579542411 1078641657 /nfs/dbraw/zinc/64/16/57/1078641657.db2.gz VBLDHYASZMMDES-PSASIEDQSA-N 1 0 360.336 2.981 20 5 FFBDRO O=C(Nc1ccc(F)c([N+](=O)[O-])c1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC001580766671 1078856051 /nfs/dbraw/zinc/85/60/51/1078856051.db2.gz JZXHRZYHWDFLSB-ZDUSSCGKSA-N 1 0 350.394 2.977 20 5 FFBDRO O=[N+]([O-])c1ccc(NC[C@H]2CC[N@@H+]2C2CCCCCC2)c(-c2nn[nH]n2)c1 ZINC001582804393 1079110443 /nfs/dbraw/zinc/11/04/43/1079110443.db2.gz RSIGOQGUARNNSC-OAHLLOKOSA-N 1 0 371.445 2.984 20 5 FFBDRO Nc1c(Cl)cc(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC001583145777 1079170798 /nfs/dbraw/zinc/17/07/98/1079170798.db2.gz UCQJEYMCEKGFPA-OLZOCXBDSA-N 1 0 352.822 2.577 20 5 FFBDRO CCCN(CC[NH+]1CCCCCC1)C(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001556901249 1075787344 /nfs/dbraw/zinc/78/73/44/1075787344.db2.gz JWKOQDHCVUJLGR-UHFFFAOYSA-N 1 0 357.842 2.700 20 5 FFBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1C[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC001585555519 1079475053 /nfs/dbraw/zinc/47/50/53/1079475053.db2.gz MULJEIJCCBKNJP-QUCCMNQESA-N 1 0 365.433 2.870 20 5 FFBDRO C[C@@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC001585777755 1079499824 /nfs/dbraw/zinc/49/98/24/1079499824.db2.gz YDZMRRDJJTYACN-RDJZCZTQSA-N 1 0 362.474 2.976 20 5 FFBDRO COc1ccc(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C(C)C)cc1[N+](=O)[O-] ZINC001558767940 1076072706 /nfs/dbraw/zinc/07/27/06/1076072706.db2.gz RPIAHDRWJNZHBW-HZPDHXFCSA-N 1 0 361.442 2.938 20 5 FFBDRO C[C@H](CNc1c2cc(Cl)ccc2ncc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC001559115398 1076127310 /nfs/dbraw/zinc/12/73/10/1076127310.db2.gz VVAHCPNYSYGTNF-GFCCVEGCSA-N 1 0 364.833 2.599 20 5 FFBDRO Cc1c(Br)c(N2C[C@]3(C)C[N@@H+](C)C[C@]3(C)C2)ncc1[N+](=O)[O-] ZINC001559250540 1076139784 /nfs/dbraw/zinc/13/97/84/1076139784.db2.gz ZVEXHPSDNHFDGA-GASCZTMLSA-N 1 0 369.263 2.839 20 5 FFBDRO CCO[C@H](CNc1c2cc(Cl)ccc2ncc1[N+](=O)[O-])C[NH+](C)C ZINC001559276354 1076144269 /nfs/dbraw/zinc/14/42/69/1076144269.db2.gz YGSJDYUXNIRFQC-GFCCVEGCSA-N 1 0 352.822 2.597 20 5 FFBDRO C[C@H]1C[N@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC(C)(C)C1 ZINC001559675385 1076182054 /nfs/dbraw/zinc/18/20/54/1076182054.db2.gz HPDIIEULWPZAJR-MRXNPFEDSA-N 1 0 374.485 2.611 20 5 FFBDRO C[C@@H]1CCCC[C@@H]1[N@H+](C)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001559751935 1076187995 /nfs/dbraw/zinc/18/79/95/1076187995.db2.gz OVYXPFHFHOPEAB-APWZRJJASA-N 1 0 374.485 2.754 20 5 FFBDRO C[C@](CO)(Cc1ccccc1F)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001560183380 1076242803 /nfs/dbraw/zinc/24/28/03/1076242803.db2.gz NYIOKCKTWWNCFE-GOSISDBHSA-N 1 0 358.373 2.694 20 5 FFBDRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@H]2CCOC23CCCC3)c([N+](=O)[O-])c1 ZINC001560208472 1076247709 /nfs/dbraw/zinc/24/77/09/1076247709.db2.gz GLKHAVZSROEXJO-WBMJQRKESA-N 1 0 363.414 2.622 20 5 FFBDRO Cc1ccc(S(=O)(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)c(C)c1[N+](=O)[O-] ZINC001561474840 1076382108 /nfs/dbraw/zinc/38/21/08/1076382108.db2.gz RJGUOXSUSZBAOM-JSGCOSHPSA-N 1 0 369.487 2.610 20 5 FFBDRO Cc1ccc(S(=O)(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)c(C)c1[N+](=O)[O-] ZINC001561749625 1076417117 /nfs/dbraw/zinc/41/71/17/1076417117.db2.gz ZKUWQLCCZJPDTP-AWEZNQCLSA-N 1 0 369.487 2.610 20 5 FFBDRO C[N@@H+]1CCCC[C@@H]1CNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC001562575172 1076504661 /nfs/dbraw/zinc/50/46/61/1076504661.db2.gz FKEKIGSOTWLLGF-LLVKDONJSA-N 1 0 371.235 2.963 20 5 FFBDRO Cc1ccoc1CNC(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001563309881 1076540796 /nfs/dbraw/zinc/54/07/96/1076540796.db2.gz DDJMKPPQZOETDL-UHFFFAOYSA-N 1 0 373.413 2.570 20 5 FFBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N1CC2(C1)C[NH+](Cc1ccccc1)C2 ZINC001564142528 1076609518 /nfs/dbraw/zinc/60/95/18/1076609518.db2.gz GZGYWKATZVRROM-UHFFFAOYSA-N 1 0 366.421 2.622 20 5 FFBDRO CC/C=C\CC[N@@H+]1CCc2c(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cccc2C1 ZINC001570078410 1077181368 /nfs/dbraw/zinc/18/13/68/1077181368.db2.gz WPGVKAJJTMOKKB-IFEVLTCRSA-N 1 0 357.454 2.682 20 5 FFBDRO CCC1([NH2+]Cc2ccc(C)c(F)c2)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001570255283 1077193304 /nfs/dbraw/zinc/19/33/04/1077193304.db2.gz XLSBCZQTPJNJHU-NVXWUHKLSA-N 1 0 363.433 2.660 20 5 FFBDRO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001590166171 1081064849 /nfs/dbraw/zinc/06/48/49/1081064849.db2.gz VTLCRCUSEVJLBZ-LDYMZIIASA-N 1 0 356.308 2.548 20 5 FFBDRO CCOC[C@H]([NH2+]CC(=O)Nc1ccc(OCC)cc1[N+](=O)[O-])C(C)C ZINC000285703734 257000360 /nfs/dbraw/zinc/00/03/60/257000360.db2.gz CVZDWYHOCSVEOX-HNNXBMFYSA-N 1 0 353.419 2.583 20 5 FFBDRO O=[N+]([O-])c1cnc(N2CCC([C@@H]3CCC[NH2+]3)CC2)c(Br)c1 ZINC000093434324 250035837 /nfs/dbraw/zinc/03/58/37/250035837.db2.gz FRJKTKUWLSLIPY-ZDUSSCGKSA-N 1 0 355.236 2.721 20 5 FFBDRO COC(=O)[C@H]1CCC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000104689647 250182727 /nfs/dbraw/zinc/18/27/27/250182727.db2.gz RSKAIKCCCMRBBH-AWEZNQCLSA-N 1 0 359.382 2.677 20 5 FFBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000119766399 250508169 /nfs/dbraw/zinc/50/81/69/250508169.db2.gz SBRVAZKBRPWDMZ-GFCCVEGCSA-N 1 0 358.826 2.727 20 5 FFBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)NC1CC[NH+](C2CCCC2)CC1 ZINC000120407497 250582898 /nfs/dbraw/zinc/58/28/98/250582898.db2.gz KLJQMXRZFPZSKL-UHFFFAOYSA-N 1 0 360.458 2.844 20 5 FFBDRO C[C@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)[C@H]1COc2ccccc21 ZINC000162998340 251164428 /nfs/dbraw/zinc/16/44/28/251164428.db2.gz INEVIYKLOMUPFJ-MORSLUCNSA-N 1 0 367.405 2.854 20 5 FFBDRO COc1ccc(OCC[N@@H+]2CCC[C@H](c3nc(C)no3)C2)c([N+](=O)[O-])c1 ZINC000173562707 251207918 /nfs/dbraw/zinc/20/79/18/251207918.db2.gz WSUIVFRVDDHVLO-ZDUSSCGKSA-N 1 0 362.386 2.553 20 5 FFBDRO Cc1c([C@H](C)[NH2+]Cc2ccc(N3CCOCC3)nc2)cccc1[N+](=O)[O-] ZINC000268745667 251373107 /nfs/dbraw/zinc/37/31/07/251373107.db2.gz HPCCZLIHLUNXKB-HNNXBMFYSA-N 1 0 356.426 2.986 20 5 FFBDRO COCCN(C)[C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000267386425 251341395 /nfs/dbraw/zinc/34/13/95/251341395.db2.gz BQBZLZIKTWVZTH-LLVKDONJSA-N 1 0 364.427 2.624 20 5 FFBDRO CC[N@H+](C)C[C@H]1CCN(c2cc(Cl)c(C(=O)OC)cc2[N+](=O)[O-])C1 ZINC000268789360 251383856 /nfs/dbraw/zinc/38/38/56/251383856.db2.gz FXYUMADHSGHXMY-LLVKDONJSA-N 1 0 355.822 2.813 20 5 FFBDRO C[NH+](C)[C@H]1CCCN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000272334575 252013336 /nfs/dbraw/zinc/01/33/36/252013336.db2.gz ATZUUSFIVYZBSM-AWEZNQCLSA-N 1 0 354.838 2.526 20 5 FFBDRO NC(=O)c1ccc(C[N@@H+]2CC[C@H](COc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000272588421 252074449 /nfs/dbraw/zinc/07/44/49/252074449.db2.gz PDXFAQYIHXTSPN-AWEZNQCLSA-N 1 0 355.394 2.595 20 5 FFBDRO COc1ccc(NC(=O)c2ccccc2OCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000272841488 252144821 /nfs/dbraw/zinc/14/48/21/252144821.db2.gz TWABTQBQMYUMRC-UHFFFAOYSA-N 1 0 359.382 2.796 20 5 FFBDRO C[C@]1(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CCC[NH2+]C1 ZINC000272927240 252166716 /nfs/dbraw/zinc/16/67/16/252166716.db2.gz ABEBWFPFLKGGRQ-AWEZNQCLSA-N 1 0 374.210 2.616 20 5 FFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](CO)C[C@@H](O)c2ccccc2)c(Cl)c1 ZINC000273035920 252196845 /nfs/dbraw/zinc/19/68/45/252196845.db2.gz HJSBEQZXTPHNFF-WMLDXEAASA-N 1 0 350.802 2.822 20 5 FFBDRO C[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C[C@@H]1OCCc2ccccc21 ZINC000273055989 252203205 /nfs/dbraw/zinc/20/32/05/252203205.db2.gz RUNRSVFKWCJLLH-UZLBHIALSA-N 1 0 372.421 2.580 20 5 FFBDRO C[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C[C@H]1OCCc2ccccc21 ZINC000273055988 252203843 /nfs/dbraw/zinc/20/38/43/252203843.db2.gz RUNRSVFKWCJLLH-OXQOHEQNSA-N 1 0 372.421 2.580 20 5 FFBDRO COc1cc(NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000273225650 252256672 /nfs/dbraw/zinc/25/66/72/252256672.db2.gz RBFYQLURNCLYMU-KRWDZBQOSA-N 1 0 357.410 2.782 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCc3ccccc3C2)cc1 ZINC000273487746 252315943 /nfs/dbraw/zinc/31/59/43/252315943.db2.gz WADCYHKQEFCGJZ-MRXNPFEDSA-N 1 0 360.435 2.516 20 5 FFBDRO COC[C@@H]([NH2+]Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-])C1CC1 ZINC000273423179 252303363 /nfs/dbraw/zinc/30/33/63/252303363.db2.gz SHFKJDSATUHPIA-GFCCVEGCSA-N 1 0 360.357 2.762 20 5 FFBDRO CC(C)(C)CC[NH+]1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000055933737 221076382 /nfs/dbraw/zinc/07/63/82/221076382.db2.gz PXABIOXOEORCHV-UHFFFAOYSA-N 1 0 362.474 2.977 20 5 FFBDRO C[NH+](C)CCc1ccccc1NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000275685466 256038002 /nfs/dbraw/zinc/03/80/02/256038002.db2.gz HORQDPLSMQJQEZ-UHFFFAOYSA-N 1 0 363.439 2.641 20 5 FFBDRO CC(C)NC(=O)c1ccc(N2CCC[C@H]3C[N@H+](C)CC[C@H]32)c([N+](=O)[O-])c1 ZINC000277087729 256160164 /nfs/dbraw/zinc/16/01/64/256160164.db2.gz VFLMFYXWPBPFIS-JKSUJKDBSA-N 1 0 360.458 2.654 20 5 FFBDRO Cc1cc(C)c(S(=O)(=O)N2CCC[C@H](c3ncc[nH]3)C2)cc1[N+](=O)[O-] ZINC000276950988 256145626 /nfs/dbraw/zinc/14/56/26/256145626.db2.gz DUSMOYNOPMSASW-ZDUSSCGKSA-N 1 0 364.427 2.503 20 5 FFBDRO CCS(=O)(=O)C1CCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000278130524 256280215 /nfs/dbraw/zinc/28/02/15/256280215.db2.gz ZGBZXYIEIJWWDP-UHFFFAOYSA-N 1 0 363.439 2.855 20 5 FFBDRO CN(C)C(=O)[C@@H]1CCCN1CCC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278160385 256283350 /nfs/dbraw/zinc/28/33/50/256283350.db2.gz AVIXKCMPLYYDDY-OALUTQOASA-N 1 0 374.485 2.505 20 5 FFBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000279039888 256375041 /nfs/dbraw/zinc/37/50/41/256375041.db2.gz ADMKHVLUIDGCMW-LLVKDONJSA-N 1 0 357.813 2.730 20 5 FFBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000279313143 256404606 /nfs/dbraw/zinc/40/46/06/256404606.db2.gz OPCMKOMCYNLNJT-OTYXRUKQSA-N 1 0 355.797 2.529 20 5 FFBDRO COc1ccc(NC(=O)C[N@@H+]2CCCCC[C@@H]2C[C@H](C)O)c([N+](=O)[O-])c1 ZINC000285942690 257012468 /nfs/dbraw/zinc/01/24/68/257012468.db2.gz MFEDGTZHQDNFEK-UONOGXRCSA-N 1 0 365.430 2.557 20 5 FFBDRO Cc1noc([C@H]2CCCN2CCC(=O)Nc2cccc([N+](=O)[O-])c2C)n1 ZINC000286157861 257023032 /nfs/dbraw/zinc/02/30/32/257023032.db2.gz PSFOZIJIRKPYMP-OAHLLOKOSA-N 1 0 359.386 2.760 20 5 FFBDRO CN(c1c(Br)cncc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000286423686 257036334 /nfs/dbraw/zinc/03/63/34/257036334.db2.gz QAABTJDNUQJAHF-ZACCUICWSA-N 1 0 355.236 2.814 20 5 FFBDRO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(c2ccc([N+](=O)[O-])c3cnccc32)C1 ZINC000286482218 257039198 /nfs/dbraw/zinc/03/91/98/257039198.db2.gz SLGVLVPPWPLIKL-GJZGRUSLSA-N 1 0 356.426 2.833 20 5 FFBDRO CC(C)c1[nH]nc(C(=O)N(C)CCC[N@H+](C)Cc2ccco2)c1[N+](=O)[O-] ZINC000286735456 257052317 /nfs/dbraw/zinc/05/23/17/257052317.db2.gz RWMKQXFMWLCFSC-UHFFFAOYSA-N 1 0 363.418 2.628 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000286980771 257065249 /nfs/dbraw/zinc/06/52/49/257065249.db2.gz PWIIVFYLYAYNQZ-MAUKXSAKSA-N 1 0 360.458 2.790 20 5 FFBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000286998628 257065996 /nfs/dbraw/zinc/06/59/96/257065996.db2.gz QUMHQONLYIPTKT-DOMZBBRYSA-N 1 0 366.849 2.745 20 5 FFBDRO CCCN(CC[NH+]1CCCC1)C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000287257285 257080055 /nfs/dbraw/zinc/08/00/55/257080055.db2.gz RZPLFIMASGSMFT-UHFFFAOYSA-N 1 0 364.446 2.621 20 5 FFBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1ncc(Br)cc1[N+](=O)[O-] ZINC000286403409 257035137 /nfs/dbraw/zinc/03/51/37/257035137.db2.gz PTOSQGLOOPKFLK-PWSUYJOCSA-N 1 0 355.236 2.815 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000288473330 257193110 /nfs/dbraw/zinc/19/31/10/257193110.db2.gz QOODKOUZPWECSB-IBGZPJMESA-N 1 0 354.410 2.661 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H](c2ccncc2)C1 ZINC000289346540 257275623 /nfs/dbraw/zinc/27/56/23/257275623.db2.gz MNSBGCTWCYPPMI-DLBZAZTESA-N 1 0 357.410 2.609 20 5 FFBDRO Cc1cc(C(=O)NCc2ccncc2OCCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000290750641 257355944 /nfs/dbraw/zinc/35/59/44/257355944.db2.gz YLSXQKFZXGFXNT-UHFFFAOYSA-N 1 0 372.425 2.559 20 5 FFBDRO C[C@H]1CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000292335053 257484154 /nfs/dbraw/zinc/48/41/54/257484154.db2.gz OWOIUVVQPBUNIG-HNNXBMFYSA-N 1 0 360.458 2.730 20 5 FFBDRO COC(=O)Cc1ccc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c([N+](=O)[O-])c1 ZINC000297354284 257821634 /nfs/dbraw/zinc/82/16/34/257821634.db2.gz BRYJFFCKROFKSX-DOTOQJQBSA-N 1 0 373.453 2.763 20 5 FFBDRO COc1ccc(NC(=O)CC[N@@H+]2CCCC[C@@H]2C[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000298356581 257905277 /nfs/dbraw/zinc/90/52/77/257905277.db2.gz CCRAWWXNKPEJGG-ZIAGYGMSSA-N 1 0 365.430 2.557 20 5 FFBDRO COCC[NH+]1CCC(Nc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000301129956 258027896 /nfs/dbraw/zinc/02/78/96/258027896.db2.gz SVSJTENZWJWCKG-UHFFFAOYSA-N 1 0 358.236 2.880 20 5 FFBDRO O=C(NC1CC1)c1ccc(N2CCC[C@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000301235716 258035851 /nfs/dbraw/zinc/03/58/51/258035851.db2.gz HMQSUBHETYKCOC-INIZCTEOSA-N 1 0 358.442 2.552 20 5 FFBDRO C[N@@H+]1CCC[C@H](N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)C1 ZINC000301277923 258039459 /nfs/dbraw/zinc/03/94/59/258039459.db2.gz JFVJFQHBHROUEM-AWEZNQCLSA-N 1 0 372.391 2.830 20 5 FFBDRO Cc1ccnc(Sc2nnc(C3CC[NH2+]CC3)n2C2CC2)c1[N+](=O)[O-] ZINC000301298185 258040882 /nfs/dbraw/zinc/04/08/82/258040882.db2.gz SURWPFXDGFCGGP-UHFFFAOYSA-N 1 0 360.443 2.843 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](CCO)c1ccccc1 ZINC000299704450 258018259 /nfs/dbraw/zinc/01/82/59/258018259.db2.gz PKUAEGHSDTYRHK-INIZCTEOSA-N 1 0 373.409 2.645 20 5 FFBDRO COc1ccc([C@@H](CCO)[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000299732965 258021195 /nfs/dbraw/zinc/02/11/95/258021195.db2.gz YCTDYDQXXFWKHJ-MRXNPFEDSA-N 1 0 373.409 2.645 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)c(OC(F)F)c1 ZINC000302048824 258084264 /nfs/dbraw/zinc/08/42/64/258084264.db2.gz MKFKKBGTUSBLSG-ZDUSSCGKSA-N 1 0 371.384 2.745 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC(C[NH+]3CCOCC3)CC2)c(OC(F)F)c1 ZINC000302068453 258086313 /nfs/dbraw/zinc/08/63/13/258086313.db2.gz XBXYHYNUCIMQEJ-UHFFFAOYSA-N 1 0 371.384 2.745 20 5 FFBDRO CCOC(=O)CN1CCCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000302179418 258093308 /nfs/dbraw/zinc/09/33/08/258093308.db2.gz NOPSBQMKTXAGBE-UHFFFAOYSA-N 1 0 372.425 2.527 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000302395381 258100637 /nfs/dbraw/zinc/10/06/37/258100637.db2.gz CSVGAVZXFDJVFO-FQEVSTJZSA-N 1 0 355.438 2.976 20 5 FFBDRO C[C@H]1CN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC[N@@H+]1CC(C)(C)O ZINC000302517669 258104515 /nfs/dbraw/zinc/10/45/15/258104515.db2.gz WAMZHCUPSCWCJD-HNNXBMFYSA-N 1 0 370.453 2.938 20 5 FFBDRO COC(=O)c1cnc(NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000302765557 258110025 /nfs/dbraw/zinc/11/00/25/258110025.db2.gz LLMFUDKKLRIQCV-PXAZEXFGSA-N 1 0 350.419 2.699 20 5 FFBDRO COC(=O)c1cnc(N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000302772843 258110144 /nfs/dbraw/zinc/11/01/44/258110144.db2.gz NOBVUFNJDONXBR-XJKSGUPXSA-N 1 0 370.409 2.851 20 5 FFBDRO CC[NH+]1CCN([C@@H](C)CNc2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000301667348 258061645 /nfs/dbraw/zinc/06/16/45/258061645.db2.gz METTZUVLRFIOPB-LBPRGKRZSA-N 1 0 371.279 2.795 20 5 FFBDRO O=C1COc2cc([N+](=O)[O-])c(NC3CC[NH+](CC4CCCC4)CC3)cc2N1 ZINC000301701702 258063495 /nfs/dbraw/zinc/06/34/95/258063495.db2.gz SZGWOQIKTVNZJX-UHFFFAOYSA-N 1 0 374.441 2.992 20 5 FFBDRO C[C@@H]1C[N@@H+](CC2CCN(c3ncc(Cl)cc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000301754796 258066293 /nfs/dbraw/zinc/06/62/93/258066293.db2.gz WXSZVJGTLROLQS-BETUJISGSA-N 1 0 368.865 2.969 20 5 FFBDRO CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCCC[C@H]2c2ncc[nH]2)s1 ZINC000302017825 258082465 /nfs/dbraw/zinc/08/24/65/258082465.db2.gz GHZOXVNLPAPOAZ-VIFPVBQESA-N 1 0 356.429 2.515 20 5 FFBDRO CC(C)(C)[C@H]1C[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000332044276 258211308 /nfs/dbraw/zinc/21/13/08/258211308.db2.gz LKBCAWQONJYVDC-MRXNPFEDSA-N 1 0 363.414 2.640 20 5 FFBDRO CS[C@@H]1CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000332069347 258212378 /nfs/dbraw/zinc/21/23/78/258212378.db2.gz BBMSSMDOCCXUOB-ZIAGYGMSSA-N 1 0 369.874 2.900 20 5 FFBDRO CCc1ccc(C(=O)N2C[C@@H](SC)[C@@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000332080884 258212961 /nfs/dbraw/zinc/21/29/61/258212961.db2.gz KRJNBONUVZTIQY-DLBZAZTESA-N 1 0 363.483 2.809 20 5 FFBDRO CCc1ccc(C(=O)N2C[C@H](SC)[C@@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000332080886 258213002 /nfs/dbraw/zinc/21/30/02/258213002.db2.gz KRJNBONUVZTIQY-IRXDYDNUSA-N 1 0 363.483 2.809 20 5 FFBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000332295276 258223591 /nfs/dbraw/zinc/22/35/91/258223591.db2.gz LYSFUHOOKXORCL-OLZOCXBDSA-N 1 0 369.368 2.753 20 5 FFBDRO C[C@@H]1C[C@H](C)N(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000397307545 512944909 /nfs/dbraw/zinc/94/49/09/512944909.db2.gz INURYQPRJWIBTK-JFGNBEQYSA-N 1 0 370.247 2.803 20 5 FFBDRO COc1ccc(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000032398975 506248362 /nfs/dbraw/zinc/24/83/62/506248362.db2.gz WDMKBPKWAPZYDU-UHFFFAOYSA-N 1 0 369.421 2.782 20 5 FFBDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000052842946 506261655 /nfs/dbraw/zinc/26/16/55/506261655.db2.gz KWHPXEZZFFAJTD-HNNXBMFYSA-N 1 0 371.441 2.775 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)Cc1cnc(C)s1 ZINC000053145795 506320155 /nfs/dbraw/zinc/32/01/55/506320155.db2.gz NNQMYDFJIPUUKS-UHFFFAOYSA-N 1 0 364.427 2.829 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)cc1SC ZINC000368971031 512162967 /nfs/dbraw/zinc/16/29/67/512162967.db2.gz YSXUKZUSMLIWEH-GFCCVEGCSA-N 1 0 365.455 2.636 20 5 FFBDRO O=C(c1ccnc(-c2ccccc2)c1[N+](=O)[O-])N1CC[C@H]([NH+]2CCCC2)C1 ZINC000366807952 512194577 /nfs/dbraw/zinc/19/45/77/512194577.db2.gz POXBRXKBCQAANA-INIZCTEOSA-N 1 0 366.421 2.967 20 5 FFBDRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000053515218 506396039 /nfs/dbraw/zinc/39/60/39/506396039.db2.gz XOFSENCWEFDEOW-CQSZACIVSA-N 1 0 371.441 2.600 20 5 FFBDRO CNC(=O)c1ccc(N2CC[NH+](Cc3ccccc3C)CC2)c([N+](=O)[O-])c1 ZINC000053551324 506401887 /nfs/dbraw/zinc/40/18/87/506401887.db2.gz ZSURAZIYMHLAIH-UHFFFAOYSA-N 1 0 368.437 2.585 20 5 FFBDRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])cnc2C)CC1 ZINC000041315142 506505307 /nfs/dbraw/zinc/50/53/07/506505307.db2.gz XYNXVOIABIDLHT-UHFFFAOYSA-N 1 0 368.437 2.955 20 5 FFBDRO COc1ccc(NC(=O)CC[N@H+](C)Cc2scnc2C)c([N+](=O)[O-])c1 ZINC000066565192 506557979 /nfs/dbraw/zinc/55/79/79/506557979.db2.gz XFBCACWUWAPJCF-UHFFFAOYSA-N 1 0 364.427 2.829 20 5 FFBDRO CCOc1cc(NC(=O)NC2CC[NH+](C)CC2)c([N+](=O)[O-])cc1OCC ZINC000043838889 506788227 /nfs/dbraw/zinc/78/82/27/506788227.db2.gz WCRFSNCDTZBVIH-UHFFFAOYSA-N 1 0 366.418 2.608 20 5 FFBDRO COc1ccc(C(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000067269106 506811875 /nfs/dbraw/zinc/81/18/75/506811875.db2.gz ZUKDZLJFPVVYPA-QGZVFWFLSA-N 1 0 357.410 2.945 20 5 FFBDRO C[N@H+](CCCNC(=O)NCc1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000067536273 506914409 /nfs/dbraw/zinc/91/44/09/506914409.db2.gz JQGXRQKUGSMCIS-UHFFFAOYSA-N 1 0 356.426 2.916 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000056066235 506922225 /nfs/dbraw/zinc/92/22/25/506922225.db2.gz ZTHBVZJFMRPYBU-UHFFFAOYSA-N 1 0 369.487 2.694 20 5 FFBDRO COc1ccc(CC(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000067907170 507048462 /nfs/dbraw/zinc/04/84/62/507048462.db2.gz WHVQODRMZFQEAK-GJZGRUSLSA-N 1 0 363.458 2.630 20 5 FFBDRO COc1ccc(CC(=O)N(C)CC[N@H+](C)C2CCCCC2)cc1[N+](=O)[O-] ZINC000067914735 507050364 /nfs/dbraw/zinc/05/03/64/507050364.db2.gz DHGDQLYGLVRCEU-UHFFFAOYSA-N 1 0 363.458 2.869 20 5 FFBDRO NC(=O)c1ccc(C[N@H+](CCOc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000046054378 507068523 /nfs/dbraw/zinc/06/85/23/507068523.db2.gz GSDFEBJRHIZCKF-UHFFFAOYSA-N 1 0 355.394 2.737 20 5 FFBDRO O=C(NC1CC[NH+](Cc2ccncc2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000057167825 507192240 /nfs/dbraw/zinc/19/22/40/507192240.db2.gz WVBLIAKKBCHYSD-UHFFFAOYSA-N 1 0 358.373 2.523 20 5 FFBDRO C[C@H](CNC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000068353811 507199162 /nfs/dbraw/zinc/19/91/62/507199162.db2.gz ASUBDIVQASDFHE-OLZOCXBDSA-N 1 0 369.849 2.864 20 5 FFBDRO C[C@@H](CC[NH+](C)C)NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000068469390 507242637 /nfs/dbraw/zinc/24/26/37/507242637.db2.gz PLEUDULBCIZEMG-JTQLQIEISA-N 1 0 363.336 2.606 20 5 FFBDRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000021414232 507254323 /nfs/dbraw/zinc/25/43/23/507254323.db2.gz OKBNJBFGAVNJIL-UHFFFAOYSA-N 1 0 356.382 2.737 20 5 FFBDRO COc1cc(C(=O)NCC[N@H+](C)C2CCCCC2)c([N+](=O)[O-])cc1OC ZINC000068902438 507355737 /nfs/dbraw/zinc/35/57/37/507355737.db2.gz SXSYMKDOKQMORZ-UHFFFAOYSA-N 1 0 365.430 2.606 20 5 FFBDRO CN(C(=O)CN1CCC[C@H]1C[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000069076267 507398875 /nfs/dbraw/zinc/39/88/75/507398875.db2.gz ZPODGRIKXKRJSE-SFHVURJKSA-N 1 0 360.458 2.508 20 5 FFBDRO CCS(=O)(=O)CC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000069172948 507427300 /nfs/dbraw/zinc/42/73/00/507427300.db2.gz NAMINTHXICTITQ-UHFFFAOYSA-N 1 0 354.453 2.848 20 5 FFBDRO C[N@H+](CCCNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)Cc1ccccc1 ZINC000048245570 507488175 /nfs/dbraw/zinc/48/81/75/507488175.db2.gz HEBGXRFCIVAQKV-UHFFFAOYSA-N 1 0 360.389 2.568 20 5 FFBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000025898568 507541332 /nfs/dbraw/zinc/54/13/32/507541332.db2.gz WIFFPWCSEVGXON-UHFFFAOYSA-N 1 0 356.426 2.500 20 5 FFBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccc2c(c1)OCCO2 ZINC000026227866 507570912 /nfs/dbraw/zinc/57/09/12/507570912.db2.gz QJEDUOFBNZGEEQ-UHFFFAOYSA-N 1 0 371.393 2.827 20 5 FFBDRO Cc1ccc(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)cc1[N+](=O)[O-] ZINC000070928562 507663713 /nfs/dbraw/zinc/66/37/13/507663713.db2.gz USBFYHXAXJLMHS-UHFFFAOYSA-N 1 0 354.410 2.945 20 5 FFBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)C[NH+]2CCCCC2)cc1OC ZINC000027755927 507682136 /nfs/dbraw/zinc/68/21/36/507682136.db2.gz CEAOGYABVYNNBU-CYBMUJFWSA-N 1 0 365.430 2.606 20 5 FFBDRO COC(=O)CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)CC(C)C ZINC000063513425 507739946 /nfs/dbraw/zinc/73/99/46/507739946.db2.gz WYUZWJPEGKUMKW-UHFFFAOYSA-N 1 0 371.821 2.708 20 5 FFBDRO COc1ccc([C@@H](CNc2c([N+](=O)[O-])c(C)nn2C)[NH+]2CCCC2)cc1 ZINC000051227309 507750852 /nfs/dbraw/zinc/75/08/52/507750852.db2.gz HNZVGTJPKNMOCW-MRXNPFEDSA-N 1 0 359.430 2.894 20 5 FFBDRO CC[N@@H+]1CC[C@@H](CNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000051469041 507772332 /nfs/dbraw/zinc/77/23/32/507772332.db2.gz UKYXLSCBQHDDEJ-LBPRGKRZSA-N 1 0 360.439 2.790 20 5 FFBDRO CC[NH+](CC)[C@@H](CNC(=O)c1[nH]nc(C)c1[N+](=O)[O-])c1ccsc1 ZINC000064336708 507790868 /nfs/dbraw/zinc/79/08/68/507790868.db2.gz DLYXZMFUHHIYFC-LBPRGKRZSA-N 1 0 351.432 2.501 20 5 FFBDRO COc1ccc([C@H](CNc2c([N+](=O)[O-])ncn2C)[NH+]2CCCCC2)cc1 ZINC000029852631 507793031 /nfs/dbraw/zinc/79/30/31/507793031.db2.gz AZYXMDOJUUKTFF-INIZCTEOSA-N 1 0 359.430 2.976 20 5 FFBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000052305829 507806100 /nfs/dbraw/zinc/80/61/00/507806100.db2.gz SFPCRGXIYKTGND-ZIAGYGMSSA-N 1 0 369.487 2.778 20 5 FFBDRO C[NH+](C)[C@H](CNC(=O)COc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1 ZINC000030936920 507815162 /nfs/dbraw/zinc/81/51/62/507815162.db2.gz GASSGVBCGZQRIX-QGZVFWFLSA-N 1 0 361.373 2.532 20 5 FFBDRO O=C(C[N@H+](C[C@@H]1CCCO1)C1CCCC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000072716163 507845614 /nfs/dbraw/zinc/84/56/14/507845614.db2.gz ICAVUGSGQBFACZ-SFHVURJKSA-N 1 0 373.453 2.908 20 5 FFBDRO COc1ccc([C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)N2CCOCC2)cc1 ZINC000072725958 507847898 /nfs/dbraw/zinc/84/78/98/507847898.db2.gz ICOSZACONDZJPM-HXUWFJFHSA-N 1 0 371.437 2.767 20 5 FFBDRO O=[N+]([O-])c1ccc(NCCC[NH+]2CCC(O)CC2)nc1-c1ccccc1 ZINC000090072324 507906782 /nfs/dbraw/zinc/90/67/82/507906782.db2.gz ITVWBXSLNUEWDM-UHFFFAOYSA-N 1 0 356.426 2.916 20 5 FFBDRO CC(C)[C@H](CNc1ccc([N+](=O)[O-])c2cnccc12)[NH+]1CCN(C)CC1 ZINC000078886506 507914512 /nfs/dbraw/zinc/91/45/12/507914512.db2.gz NYJJBARRBXARKF-IBGZPJMESA-N 1 0 357.458 2.827 20 5 FFBDRO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)C1CCN(c3ccccc3[N+](=O)[O-])CC1)C2 ZINC000073996347 507975245 /nfs/dbraw/zinc/97/52/45/507975245.db2.gz VLWCVTJHTHZNBS-DLBZAZTESA-N 1 0 372.469 2.506 20 5 FFBDRO C[C@H](c1ccccn1)[N@H+](C)CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000091702505 508003611 /nfs/dbraw/zinc/00/36/11/508003611.db2.gz KYJGDKPDYGWLPW-CYBMUJFWSA-N 1 0 356.382 2.981 20 5 FFBDRO C[C@@H](CNC(=O)COc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1ccccc1 ZINC000110355875 508022706 /nfs/dbraw/zinc/02/27/06/508022706.db2.gz XIDINPGXSRMMMQ-HNNXBMFYSA-N 1 0 357.410 2.610 20 5 FFBDRO CC(C)[NH+](CCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])C(C)C ZINC000080606282 508087921 /nfs/dbraw/zinc/08/79/21/508087921.db2.gz ULSCWCPZXIXFGS-UHFFFAOYSA-N 1 0 357.476 2.919 20 5 FFBDRO CN1CC[C@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(F)cc1 ZINC000377652610 512378093 /nfs/dbraw/zinc/37/80/93/512378093.db2.gz OCLPWYXDJWVRDI-FHWLQOOXSA-N 1 0 359.401 2.802 20 5 FFBDRO C[NH+](C)Cc1cccc(NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)c1 ZINC000111563539 508108299 /nfs/dbraw/zinc/10/82/99/508108299.db2.gz WOGOUTJFOQJVJR-UHFFFAOYSA-N 1 0 366.377 2.750 20 5 FFBDRO O=[N+]([O-])c1cccc(OCC[NH+]2CCC(c3nnc4ccccn43)CC2)c1 ZINC000112337190 508175912 /nfs/dbraw/zinc/17/59/12/508175912.db2.gz SUCGKHFNYJFHQM-UHFFFAOYSA-N 1 0 367.409 2.896 20 5 FFBDRO C[C@@H](CC[NH+](C)C)Nc1ccc(I)cc1[N+](=O)[O-] ZINC000097347431 508223275 /nfs/dbraw/zinc/22/32/75/508223275.db2.gz KGLZYVVSNTWZNM-VIFPVBQESA-N 1 0 363.199 2.952 20 5 FFBDRO CC(C)OCC[NH+]1CCC(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000081996820 508224390 /nfs/dbraw/zinc/22/43/90/508224390.db2.gz ZMRQBVSRCJEAIK-UHFFFAOYSA-N 1 0 369.849 2.867 20 5 FFBDRO COc1cc(C[NH2+]C[C@@H](C)CO)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000101594440 508249540 /nfs/dbraw/zinc/24/95/40/508249540.db2.gz QYNZELFXLRSSRG-CQSZACIVSA-N 1 0 360.410 2.900 20 5 FFBDRO COc1cc(OCC(=O)Nc2ccc(CC[NH+](C)C)cc2)ccc1[N+](=O)[O-] ZINC000102731429 508283366 /nfs/dbraw/zinc/28/33/66/508283366.db2.gz RWCCEQOZKYVRGG-UHFFFAOYSA-N 1 0 373.409 2.725 20 5 FFBDRO Cc1ccc(NC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])c(C[NH+](C)C)c1 ZINC000113912566 508285640 /nfs/dbraw/zinc/28/56/40/508285640.db2.gz AOBHFAZORNAUTN-UHFFFAOYSA-N 1 0 371.393 2.795 20 5 FFBDRO CSC[C@@H](CCO)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000077462011 508319844 /nfs/dbraw/zinc/31/98/44/508319844.db2.gz WJWTURZUSDFLAW-GFCCVEGCSA-N 1 0 353.469 2.922 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000088329268 508365405 /nfs/dbraw/zinc/36/54/05/508365405.db2.gz USKFYNVHVHXLCV-UHFFFAOYSA-N 1 0 362.386 2.792 20 5 FFBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])s2)[C@H](C)C1 ZINC000115273313 508380402 /nfs/dbraw/zinc/38/04/02/508380402.db2.gz GQPBEQCVSDLOQQ-OLZOCXBDSA-N 1 0 355.460 2.523 20 5 FFBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000115275026 508380408 /nfs/dbraw/zinc/38/04/08/508380408.db2.gz UMNYCBWUIJQIEU-CXAGYDPISA-N 1 0 367.421 2.601 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)c1 ZINC000088700963 508381015 /nfs/dbraw/zinc/38/10/15/508381015.db2.gz ZMUKLTRZBAUOTE-UHFFFAOYSA-N 1 0 374.485 2.722 20 5 FFBDRO C[NH+](C)Cc1cc(CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)ccc1F ZINC000115416738 508392586 /nfs/dbraw/zinc/39/25/86/508392586.db2.gz PFRIHUMGXIUKGW-UHFFFAOYSA-N 1 0 371.372 2.602 20 5 FFBDRO CCOC(=O)c1ccnc(N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000077932964 508393403 /nfs/dbraw/zinc/39/34/03/508393403.db2.gz JKNIMFFTAQNWCI-QWHCGFSZSA-N 1 0 350.419 2.699 20 5 FFBDRO C[NH+](C)C1(CNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CCCCC1 ZINC000077941713 508394214 /nfs/dbraw/zinc/39/42/14/508394214.db2.gz TXXCPAFNVJWFSG-UHFFFAOYSA-N 1 0 371.441 2.775 20 5 FFBDRO CC1CCC([NH+]2CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3N)CC2)CC1 ZINC000115481401 508396588 /nfs/dbraw/zinc/39/65/88/508396588.db2.gz LBWQSJSJHXZQFS-UHFFFAOYSA-N 1 0 364.421 2.653 20 5 FFBDRO C[C@H]([NH2+]C[C@H](O)COc1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000133758707 508444528 /nfs/dbraw/zinc/44/45/28/508444528.db2.gz YMHHWPDDPOHYLM-FZMZJTMJSA-N 1 0 352.337 2.964 20 5 FFBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000377685551 512397169 /nfs/dbraw/zinc/39/71/69/512397169.db2.gz ZOKJXSSEJLTZQA-DZGCQCFKSA-N 1 0 367.812 2.656 20 5 FFBDRO CCOc1ccc([C@@H](C)[NH2+]CC(C)(C)N2CCOCC2)cc1[N+](=O)[O-] ZINC000152586193 508474443 /nfs/dbraw/zinc/47/44/43/508474443.db2.gz FAWOLMJFJRAGAP-CQSZACIVSA-N 1 0 351.447 2.755 20 5 FFBDRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000134023582 508482875 /nfs/dbraw/zinc/48/28/75/508482875.db2.gz OPUCOSVWFBWQJA-MRXNPFEDSA-N 1 0 359.401 2.566 20 5 FFBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC(Oc3ccccc3Cl)CC2)c1 ZINC000157292841 508548308 /nfs/dbraw/zinc/54/83/08/508548308.db2.gz RULZOBOBGNRTJF-UHFFFAOYSA-N 1 0 350.806 2.988 20 5 FFBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157369324 508557660 /nfs/dbraw/zinc/55/76/60/508557660.db2.gz NCUHENHJUDJXQU-WBVHZDCISA-N 1 0 360.458 2.872 20 5 FFBDRO O=C1[C@H](N2CCC[C@H]([NH+]3CCCC3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000157436647 508566380 /nfs/dbraw/zinc/56/63/80/508566380.db2.gz VCFASGCALNDLNG-QFBILLFUSA-N 1 0 372.469 2.650 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000153410496 508580655 /nfs/dbraw/zinc/58/06/55/508580655.db2.gz PGAASCZHSOQAEH-WCQYABFASA-N 1 0 355.822 2.568 20 5 FFBDRO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000153561278 508598163 /nfs/dbraw/zinc/59/81/63/508598163.db2.gz QEQMODVGFMKNES-ZDUSSCGKSA-N 1 0 368.231 2.668 20 5 FFBDRO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000153561375 508598313 /nfs/dbraw/zinc/59/83/13/508598313.db2.gz QEQMODVGFMKNES-CYBMUJFWSA-N 1 0 368.231 2.668 20 5 FFBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000157709489 508600704 /nfs/dbraw/zinc/60/07/04/508600704.db2.gz MWBBTOCVUNKOAR-HNNXBMFYSA-N 1 0 371.441 2.775 20 5 FFBDRO C[C@H]1C[C@H](N(C)C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000122946645 508611837 /nfs/dbraw/zinc/61/18/37/508611837.db2.gz SAQNOUSMISBFCF-GXTWGEPZSA-N 1 0 369.849 2.958 20 5 FFBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H](C)N2CCOCC2)cc1[N+](=O)[O-] ZINC000153635194 508613124 /nfs/dbraw/zinc/61/31/24/508613124.db2.gz AJCRLFHNZQTMDZ-SOUVJXGZSA-N 1 0 351.447 2.753 20 5 FFBDRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000153656924 508619240 /nfs/dbraw/zinc/61/92/40/508619240.db2.gz GTTHDIDRQMQNTJ-OKILXGFUSA-N 1 0 367.881 2.638 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N(CC[NH+](C)C)Cc1ccccn1 ZINC000123039557 508626606 /nfs/dbraw/zinc/62/66/06/508626606.db2.gz KIPRKYMGENMBPL-UHFFFAOYSA-N 1 0 373.413 2.594 20 5 FFBDRO C[NH+](C)CC[C@H](NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)C(C)(C)C ZINC000157900128 508629769 /nfs/dbraw/zinc/62/97/69/508629769.db2.gz ROPLDSNOHQKNQO-KRWDZBQOSA-N 1 0 373.457 2.877 20 5 FFBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000157905970 508630637 /nfs/dbraw/zinc/63/06/37/508630637.db2.gz UUTGSMSWNJTCHF-CQSZACIVSA-N 1 0 356.426 2.851 20 5 FFBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000157906126 508630679 /nfs/dbraw/zinc/63/06/79/508630679.db2.gz UUTGSMSWNJTCHF-AWEZNQCLSA-N 1 0 356.426 2.851 20 5 FFBDRO CN(C(=O)c1ccc([N+](=O)[O-])cc1Br)[C@@H]1CCC[N@H+](C)C1 ZINC000153751316 508642290 /nfs/dbraw/zinc/64/22/90/508642290.db2.gz YSWKXSOLLNGEMU-LLVKDONJSA-N 1 0 356.220 2.524 20 5 FFBDRO COc1ccc(C[NH+]2CCC(C(=O)N[C@@H](C)C(C)C)CC2)cc1[N+](=O)[O-] ZINC000153796861 508651544 /nfs/dbraw/zinc/65/15/44/508651544.db2.gz CBEZFRIUWCASDH-AWEZNQCLSA-N 1 0 363.458 2.976 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1SC ZINC000123206918 508651939 /nfs/dbraw/zinc/65/19/39/508651939.db2.gz SLUFCUOHQUGOLZ-NWDGAFQWSA-N 1 0 367.471 2.880 20 5 FFBDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000136125736 508672474 /nfs/dbraw/zinc/67/24/74/508672474.db2.gz XEJOJWALQGQFDZ-OAHLLOKOSA-N 1 0 358.442 2.951 20 5 FFBDRO COc1cc(C(=O)NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000153934373 508680216 /nfs/dbraw/zinc/68/02/16/508680216.db2.gz NUINZWWGNJDQLP-CQSZACIVSA-N 1 0 369.421 2.780 20 5 FFBDRO COc1cc(C[NH2+]C[C@@H](C)CO)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000123478327 508693321 /nfs/dbraw/zinc/69/33/21/508693321.db2.gz NQHIOWFICABZRJ-CQSZACIVSA-N 1 0 360.410 2.900 20 5 FFBDRO C[NH+](C)C[C@@H]1CCCCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000119192952 508745301 /nfs/dbraw/zinc/74/53/01/508745301.db2.gz NOWLOSKVJCJTPG-ZDUSSCGKSA-N 1 0 370.247 2.914 20 5 FFBDRO C[C@H]1C[C@H](N(C)CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000123943066 508761010 /nfs/dbraw/zinc/76/10/10/508761010.db2.gz WMKQORYTWWGCSF-WCQYABFASA-N 1 0 354.838 2.601 20 5 FFBDRO CSCCN(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000138256285 508770426 /nfs/dbraw/zinc/77/04/26/508770426.db2.gz ROYZNMDLVIYDGA-UHFFFAOYSA-N 1 0 362.249 2.591 20 5 FFBDRO COc1cc(CN2CC[NH+](C)CC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000154393802 508775690 /nfs/dbraw/zinc/77/56/90/508775690.db2.gz YPOMHBLZYSXWOB-UHFFFAOYSA-N 1 0 371.437 2.930 20 5 FFBDRO CC[C@H]([NH2+]C[C@@]1(N2CCOCC2)CCSC1)c1cccc([N+](=O)[O-])c1 ZINC000154463992 508790025 /nfs/dbraw/zinc/79/00/25/508790025.db2.gz WOLBPFXDGGIZSV-ROUUACIJSA-N 1 0 365.499 2.843 20 5 FFBDRO C[N@@H+]1CCC[C@@H]2CN(CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)CC[C@@H]21 ZINC000139940133 508798247 /nfs/dbraw/zinc/79/82/47/508798247.db2.gz NAMXVAZLCAUTKH-DOMZBBRYSA-N 1 0 366.849 2.603 20 5 FFBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000159149097 508799331 /nfs/dbraw/zinc/79/93/31/508799331.db2.gz LDWPWFLIDZKFMQ-HXUWFJFHSA-N 1 0 372.469 2.657 20 5 FFBDRO CC[C@H](c1ccncc1)N(C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000130223826 508805898 /nfs/dbraw/zinc/80/58/98/508805898.db2.gz XCRYZYBLWNRYFR-QGZVFWFLSA-N 1 0 354.410 2.962 20 5 FFBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)CCCn1ccnc1 ZINC000124359658 508820331 /nfs/dbraw/zinc/82/03/31/508820331.db2.gz YWKIIQYESOWNAC-ZDUSSCGKSA-N 1 0 356.386 2.924 20 5 FFBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159452090 508843994 /nfs/dbraw/zinc/84/39/94/508843994.db2.gz LBXJJXJFPFEYRV-PGUXBMHVSA-N 1 0 355.822 2.668 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CCN(Cc3ccsc3)CC2)c1 ZINC000146074155 508848890 /nfs/dbraw/zinc/84/88/90/508848890.db2.gz QHBBMCJVIVPUOI-UHFFFAOYSA-N 1 0 361.423 2.623 20 5 FFBDRO C[C@@H]1C[NH2+]CCN1C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000124563306 508851768 /nfs/dbraw/zinc/85/17/68/508851768.db2.gz ADLHEMUJYHZBFF-CQSZACIVSA-N 1 0 354.410 2.641 20 5 FFBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000150741251 508883693 /nfs/dbraw/zinc/88/36/93/508883693.db2.gz MEDAIFUDDMBTKV-MRXNPFEDSA-N 1 0 360.458 2.874 20 5 FFBDRO CN(C)c1cccc(C[N@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000159807723 508893438 /nfs/dbraw/zinc/89/34/38/508893438.db2.gz NZPIPUZTBNMKGB-GOSISDBHSA-N 1 0 359.426 2.533 20 5 FFBDRO CN(C)c1cccc([C@@H]2CCC[N@@H+]2CCn2cc([N+](=O)[O-])ccc2=O)c1 ZINC000159850838 508900150 /nfs/dbraw/zinc/90/01/50/508900150.db2.gz WKIYBHGPKZGTKZ-SFHVURJKSA-N 1 0 356.426 2.660 20 5 FFBDRO C[NH+](C)CCOc1ccccc1CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000120043543 508916439 /nfs/dbraw/zinc/91/64/39/508916439.db2.gz WYPFONZQKBJJEP-UHFFFAOYSA-N 1 0 358.398 2.857 20 5 FFBDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000155557678 509026170 /nfs/dbraw/zinc/02/61/70/509026170.db2.gz AGCUVHWUXYIOCY-HNNXBMFYSA-N 1 0 368.437 2.874 20 5 FFBDRO CCOc1cc(C(=O)N[C@@H](C[NH3+])C2CCCCC2)c([N+](=O)[O-])cc1OC ZINC000155611317 509037521 /nfs/dbraw/zinc/03/75/21/509037521.db2.gz FGVNCXLIZZFMPW-AWEZNQCLSA-N 1 0 365.430 2.640 20 5 FFBDRO O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000371497890 512434935 /nfs/dbraw/zinc/43/49/35/512434935.db2.gz SDODSVYUOXLPGD-GFCCVEGCSA-N 1 0 355.341 2.507 20 5 FFBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000133222051 509134503 /nfs/dbraw/zinc/13/45/03/509134503.db2.gz CAAVQRQWABMPAD-UHFFFAOYSA-N 1 0 373.457 2.517 20 5 FFBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(S(N)(=O)=O)cc2)cc1[N+](=O)[O-] ZINC000121516263 509177327 /nfs/dbraw/zinc/17/73/27/509177327.db2.gz YIXQLTYVQKEJOA-QWHCGFSZSA-N 1 0 363.439 2.962 20 5 FFBDRO C[C@H]1C[NH+](CC2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)C[C@H](C)O1 ZINC000263846291 509183707 /nfs/dbraw/zinc/18/37/07/509183707.db2.gz XGBCLXDOXJSWSZ-STQMWFEESA-N 1 0 367.471 2.618 20 5 FFBDRO C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C[N@@H+]1C1CC1 ZINC000182350695 509190018 /nfs/dbraw/zinc/19/00/18/509190018.db2.gz AGTQNNUJVALKDH-NXEZZACHSA-N 1 0 355.341 2.551 20 5 FFBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)Cc3ccc([N+](=O)[O-])cc3Cl)CC[C@H]21 ZINC000247961970 509202114 /nfs/dbraw/zinc/20/21/14/509202114.db2.gz GJEJBNOHHNBZGN-CZUORRHYSA-N 1 0 351.834 2.733 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCC2([NH+]3CCCCC3)CCN(C)CC2)c1 ZINC000172748847 509210445 /nfs/dbraw/zinc/21/04/45/509210445.db2.gz JLEVSYDJWFKUGQ-UHFFFAOYSA-N 1 0 374.485 2.583 20 5 FFBDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2c([N+](=O)[O-])cnn2C)cc1 ZINC000162388272 509214022 /nfs/dbraw/zinc/21/40/22/509214022.db2.gz MFMPWWYRYWMIES-ZDUSSCGKSA-N 1 0 357.414 2.955 20 5 FFBDRO COc1cccc(C(=O)NCC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000162404609 509217736 /nfs/dbraw/zinc/21/77/36/509217736.db2.gz OYHPCTCQGKAJMV-CQSZACIVSA-N 1 0 357.410 2.992 20 5 FFBDRO C[NH2+]C[C@H]1CCN(C(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC000179020811 509228305 /nfs/dbraw/zinc/22/83/05/509228305.db2.gz VBKKAVANVGSPGJ-OWCLPIDISA-N 1 0 374.485 2.759 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)[C@@H]1COc2ccccc21 ZINC000185565818 509239263 /nfs/dbraw/zinc/23/92/63/509239263.db2.gz YGRMIJPZBGROIO-BBRMVZONSA-N 1 0 355.394 2.996 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)[C@H]1COc2ccccc21 ZINC000185579521 509248846 /nfs/dbraw/zinc/24/88/46/509248846.db2.gz ULTLXFZQAGNKGO-IUODEOHRSA-N 1 0 371.393 2.696 20 5 FFBDRO COc1cc(C(=O)Nc2ccc(CC[NH+](C)C)cc2)c([N+](=O)[O-])cc1OC ZINC000263973009 509257139 /nfs/dbraw/zinc/25/71/39/509257139.db2.gz YCLKNRWUJYGHIB-UHFFFAOYSA-N 1 0 373.409 2.968 20 5 FFBDRO Cc1c(C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000172832816 509262656 /nfs/dbraw/zinc/26/26/56/509262656.db2.gz RTPNCYUHZBEHHT-CYBMUJFWSA-N 1 0 364.402 2.758 20 5 FFBDRO C[N@@H+]1CC[C@@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1 ZINC000179115318 509271182 /nfs/dbraw/zinc/27/11/82/509271182.db2.gz IBMBRSMXNJWZTA-MSOLQXFVSA-N 1 0 354.410 2.839 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H](c2ccc(Cl)cc2)C2CCC2)c1 ZINC000182601495 509325896 /nfs/dbraw/zinc/32/58/96/509325896.db2.gz WNGUTOLETWWKMJ-IAGOWNOFSA-N 1 0 364.833 2.937 20 5 FFBDRO O=C(CCN1CCC[C@H]1C[NH+]1CCCC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000188931777 509329024 /nfs/dbraw/zinc/32/90/24/509329024.db2.gz YCQICWXXEROXIV-HNNXBMFYSA-N 1 0 364.421 2.623 20 5 FFBDRO CCO[C@@H]1C[C@@H]([N@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000248457201 509329479 /nfs/dbraw/zinc/32/94/79/509329479.db2.gz MEMCCIZYMURHED-ZTFGCOKTSA-N 1 0 364.442 2.614 20 5 FFBDRO C[NH+](C)CC1(CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CCCC1 ZINC000185892878 509411086 /nfs/dbraw/zinc/41/10/86/509411086.db2.gz VGCZXUBPCOQOIL-UHFFFAOYSA-N 1 0 356.426 2.995 20 5 FFBDRO O=C(NCC1([NH+]2CCCC2)CCOCC1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000264305253 509446124 /nfs/dbraw/zinc/44/61/24/509446124.db2.gz SAPUBSJQZUVEJB-UHFFFAOYSA-N 1 0 373.409 2.716 20 5 FFBDRO C[C@H]1C[C@H](N(C)C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000267428317 509476242 /nfs/dbraw/zinc/47/62/42/509476242.db2.gz CCYFAPWRIXRXOA-CMPLNLGQSA-N 1 0 370.247 2.912 20 5 FFBDRO Cc1nn(Cc2ccc(C(=O)N[C@@](C)(C[NH3+])C(C)C)cc2)c(C)c1[N+](=O)[O-] ZINC000236678309 509477349 /nfs/dbraw/zinc/47/73/49/509477349.db2.gz AUFJCTLXCQMNQI-IBGZPJMESA-N 1 0 373.457 2.560 20 5 FFBDRO C[C@H]([NH2+]Cc1cccc(C(=O)N2CCOCC2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000267456763 509495956 /nfs/dbraw/zinc/49/59/56/509495956.db2.gz TYNOJIJLXBTBEM-HNNXBMFYSA-N 1 0 369.421 2.918 20 5 FFBDRO O=C1CCCN1C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000179548196 509505754 /nfs/dbraw/zinc/50/57/54/509505754.db2.gz KWWVWGOTHRSFIL-LJQANCHMSA-N 1 0 369.421 2.927 20 5 FFBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000248843949 509508571 /nfs/dbraw/zinc/50/85/71/509508571.db2.gz OBVFGPVNMNDHLX-SCLBCKFNSA-N 1 0 357.385 2.984 20 5 FFBDRO CCC[C@@H]([NH2+][C@H](C(=O)N1CCOCC1)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000164928293 509546210 /nfs/dbraw/zinc/54/62/10/509546210.db2.gz CFIMAJAOHHNODL-MSOLQXFVSA-N 1 0 363.458 2.909 20 5 FFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000248924786 509546119 /nfs/dbraw/zinc/54/61/19/509546119.db2.gz XAMSTMIWLQBZBL-DNVCBOLYSA-N 1 0 353.422 2.774 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H](c2ccccc2)c2ccc(F)cc2)c1 ZINC000173368557 509557313 /nfs/dbraw/zinc/55/73/13/509557313.db2.gz ZWCLRCRIDRVHLF-OALUTQOASA-N 1 0 370.384 2.671 20 5 FFBDRO C[C@H]([NH2+]C[C@@H](O)COc1ccc(F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000173394658 509571338 /nfs/dbraw/zinc/57/13/38/509571338.db2.gz RJLKAFTYHSLZNY-SMDDNHRTSA-N 1 0 352.337 2.964 20 5 FFBDRO [NH3+][C@@H]1CCCCCC[C@H]1C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000165538414 509573319 /nfs/dbraw/zinc/57/33/19/509573319.db2.gz POSDZTULTKQWIZ-QZTJIDSGSA-N 1 0 360.458 2.541 20 5 FFBDRO Cc1ccnc(N2CC[NH+](CCCOc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000166089445 509593115 /nfs/dbraw/zinc/59/31/15/509593115.db2.gz TUHVEKTYEXOGAL-UHFFFAOYSA-N 1 0 356.426 2.889 20 5 FFBDRO Nc1c(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000176706390 509651439 /nfs/dbraw/zinc/65/14/39/509651439.db2.gz YJWPKLKWSKVAFI-OAHLLOKOSA-N 1 0 354.410 2.571 20 5 FFBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NC[C@@H]([NH3+])C2CC2)cc1 ZINC000237455693 509651919 /nfs/dbraw/zinc/65/19/19/509651919.db2.gz NHZXSUGMYXSDRR-QGZVFWFLSA-N 1 0 371.393 2.863 20 5 FFBDRO CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000186344377 509661223 /nfs/dbraw/zinc/66/12/23/509661223.db2.gz IUIBMPHRDOCJTB-IRXDYDNUSA-N 1 0 370.471 2.552 20 5 FFBDRO C[C@@H]1CCCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)[C@@H]1C[NH3+] ZINC000237515623 509667530 /nfs/dbraw/zinc/66/75/30/509667530.db2.gz JMLSFIHNEOBUAU-FOIQADDNSA-N 1 0 363.461 2.741 20 5 FFBDRO CCCS(=O)(=O)N1CCC([NH2+][C@@H](CC)c2cccc([N+](=O)[O-])c2)CC1 ZINC000192843665 509669289 /nfs/dbraw/zinc/66/92/89/509669289.db2.gz DTOWXVKGMWNNCD-KRWDZBQOSA-N 1 0 369.487 2.840 20 5 FFBDRO CCC(CC)[C@@H](CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)[NH+](C)C ZINC000189630315 509671110 /nfs/dbraw/zinc/67/11/10/509671110.db2.gz ZJZDUXBHAVORPJ-OAHLLOKOSA-N 1 0 357.476 2.777 20 5 FFBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000267937883 509678735 /nfs/dbraw/zinc/67/87/35/509678735.db2.gz NFKQBSKKCSVRKH-JTQLQIEISA-N 1 0 374.210 2.711 20 5 FFBDRO COc1ccc(F)cc1[C@H](C)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000179940137 509682944 /nfs/dbraw/zinc/68/29/44/509682944.db2.gz HILKAFCLGXIIDN-SWLSCSKDSA-N 1 0 364.373 2.833 20 5 FFBDRO CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1Br)C1CC[NH+](C)CC1 ZINC000267948049 509683542 /nfs/dbraw/zinc/68/35/42/509683542.db2.gz IIQUPOYIVILNDK-UHFFFAOYSA-N 1 0 374.210 2.663 20 5 FFBDRO CC[C@]1(CO)CCC[N@@H+]1Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000189671769 509694370 /nfs/dbraw/zinc/69/43/70/509694370.db2.gz HRBXXVJMOALGAP-QGZVFWFLSA-N 1 0 374.384 2.984 20 5 FFBDRO CC[C@@H](CO)[NH+]1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000179997302 509704660 /nfs/dbraw/zinc/70/46/60/509704660.db2.gz NJLNGWWLLBBQDC-INIZCTEOSA-N 1 0 359.426 2.743 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000249686845 509734177 /nfs/dbraw/zinc/73/41/77/509734177.db2.gz JCTBIILOVMSSRH-UONOGXRCSA-N 1 0 364.446 2.523 20 5 FFBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000268108150 509760241 /nfs/dbraw/zinc/76/02/41/509760241.db2.gz GDBGPBFXHSNRHW-IAQYHMDHSA-N 1 0 354.838 2.730 20 5 FFBDRO Cn1cc(C[NH2+]CCCOC[C@@H]2CCCO2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237913890 509770664 /nfs/dbraw/zinc/77/06/64/509770664.db2.gz RRGBJFZDMHMWAV-SFHVURJKSA-N 1 0 374.441 2.671 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000176939379 509776140 /nfs/dbraw/zinc/77/61/40/509776140.db2.gz XLOKXNSQGSNPQZ-UHFFFAOYSA-N 1 0 367.471 2.589 20 5 FFBDRO Cc1ccc([C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2C)N2CCOCC2)o1 ZINC000183426655 509781646 /nfs/dbraw/zinc/78/16/46/509781646.db2.gz MUCFCNWDMBIJFU-SFHVURJKSA-N 1 0 359.426 2.968 20 5 FFBDRO C[C@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H](c1ccccc1)[NH+](C)C ZINC000186585228 509786005 /nfs/dbraw/zinc/78/60/05/509786005.db2.gz VRRNGDGNBLTBFT-GUYCJALGSA-N 1 0 363.439 2.565 20 5 FFBDRO Cc1c([C@@H](C)[NH2+]CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cnn1C ZINC000183434605 509786950 /nfs/dbraw/zinc/78/69/50/509786950.db2.gz GAZUKCPQIPTHPP-SECBINFHSA-N 1 0 351.794 2.579 20 5 FFBDRO Cc1c([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cnn1C ZINC000183435158 509787995 /nfs/dbraw/zinc/78/79/95/509787995.db2.gz WAEKGDLYBOTZQN-NXEZZACHSA-N 1 0 365.821 2.968 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1SC ZINC000268171640 509794060 /nfs/dbraw/zinc/79/40/60/509794060.db2.gz FBNBPGSMWDDZRT-ZWNOBZJWSA-N 1 0 365.455 2.538 20 5 FFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000193164816 509802640 /nfs/dbraw/zinc/80/26/40/509802640.db2.gz HTCIUUGXPLAFLV-MRXNPFEDSA-N 1 0 354.410 2.693 20 5 FFBDRO CC(C)[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Cl)cc1F ZINC000180267195 509840561 /nfs/dbraw/zinc/84/05/61/509840561.db2.gz KTDNHMZEHXPZND-CJNGLKHVSA-N 1 0 370.812 2.932 20 5 FFBDRO C[C@@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1cccc([N+](=O)[O-])c1 ZINC000180424668 509920949 /nfs/dbraw/zinc/92/09/49/509920949.db2.gz VUSLTMKIQBDEQR-GFCCVEGCSA-N 1 0 370.365 2.743 20 5 FFBDRO CCNC(=O)c1cccc(NC(=O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000180447701 509929334 /nfs/dbraw/zinc/92/93/34/509929334.db2.gz PKDSBVJXRPJPAX-CYBMUJFWSA-N 1 0 370.409 2.634 20 5 FFBDRO CC[C@@H]1C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC[C@H]1c1ccccc1 ZINC000245437374 509932616 /nfs/dbraw/zinc/93/26/16/509932616.db2.gz RMABLHTUTRQBLT-AYOQOUSVSA-N 1 0 358.442 2.668 20 5 FFBDRO CC[NH+](CC)[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)C1 ZINC000174178144 509987395 /nfs/dbraw/zinc/98/73/95/509987395.db2.gz KNJMFIDWWDBULJ-ZDUSSCGKSA-N 1 0 364.402 2.676 20 5 FFBDRO Nc1cccc([N+](=O)[O-])c1C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000180677088 510049231 /nfs/dbraw/zinc/04/92/31/510049231.db2.gz TZMYJAURYUEHAQ-UHFFFAOYSA-N 1 0 372.400 2.711 20 5 FFBDRO O=C(COc1cccc([N+](=O)[O-])c1)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000193760793 510054510 /nfs/dbraw/zinc/05/45/10/510054510.db2.gz ICBFZTJXGKTFNZ-QGZVFWFLSA-N 1 0 369.421 2.612 20 5 FFBDRO Cc1ccc(CN(C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000190315010 510059405 /nfs/dbraw/zinc/05/94/05/510059405.db2.gz NVNMLFOJDSPQFH-NRFANRHFSA-N 1 0 369.465 2.972 20 5 FFBDRO CSc1ccc(C(=O)N(CC[NH3+])CCc2ccccc2)cc1[N+](=O)[O-] ZINC000261816086 510076113 /nfs/dbraw/zinc/07/61/13/510076113.db2.gz XLYBUJHSLKVGSL-UHFFFAOYSA-N 1 0 359.451 2.960 20 5 FFBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])c4cccnc34)CC[C@H]21 ZINC000245706202 510099194 /nfs/dbraw/zinc/09/91/94/510099194.db2.gz DHWCIFDAUQDTRA-CZUORRHYSA-N 1 0 354.410 2.699 20 5 FFBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CCC2(CC[NH2+]C2)CC1 ZINC000261897706 510106494 /nfs/dbraw/zinc/10/64/94/510106494.db2.gz VXLBKVGZUYWDIG-UHFFFAOYSA-N 1 0 367.833 2.619 20 5 FFBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000193894570 510118312 /nfs/dbraw/zinc/11/83/12/510118312.db2.gz FQIPKMRJFYBGQX-GASCZTMLSA-N 1 0 369.487 2.631 20 5 FFBDRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000265586793 510127732 /nfs/dbraw/zinc/12/77/32/510127732.db2.gz XOSSNXAWTHIEMB-ZIAGYGMSSA-N 1 0 367.881 2.638 20 5 FFBDRO CCOc1cccc(N2CCC(OCCC[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000184131134 510152618 /nfs/dbraw/zinc/15/26/18/510152618.db2.gz JRRQSBBKEQJPPJ-UHFFFAOYSA-N 1 0 351.447 2.931 20 5 FFBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1CC[NH2+]C[C@H]1c1cccc(Cl)c1 ZINC000262075341 510168322 /nfs/dbraw/zinc/16/83/22/510168322.db2.gz SSMRSRWVGCNIHA-KRWDZBQOSA-N 1 0 359.813 2.964 20 5 FFBDRO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000194019955 510178537 /nfs/dbraw/zinc/17/85/37/510178537.db2.gz LYWSHBOHKIOZEV-INIZCTEOSA-N 1 0 372.425 2.582 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@@H]3CCC[N@@H+]3Cc3ccccc32)cc1 ZINC000180949236 510201950 /nfs/dbraw/zinc/20/19/50/510201950.db2.gz JCLBFPLRPTUWQI-INIZCTEOSA-N 1 0 373.434 2.768 20 5 FFBDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc([N+](=O)[O-])cc1Br ZINC000265757253 510212675 /nfs/dbraw/zinc/21/26/75/510212675.db2.gz JHWQPNODCMDALK-KGLIPLIRSA-N 1 0 368.231 2.714 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2cnc(CCN3CC[N@@H+]4CCCC[C@@H]4C3)o2)c1 ZINC000177760914 510237606 /nfs/dbraw/zinc/23/76/06/510237606.db2.gz AFMIMZFAGGRQBC-QGZVFWFLSA-N 1 0 356.426 2.962 20 5 FFBDRO COc1cc(C[N@@H+]2CCC[C@H](Cc3nccn3C)C2)c([N+](=O)[O-])cc1F ZINC000184289098 510242367 /nfs/dbraw/zinc/24/23/67/510242367.db2.gz NJANADIQNMNMSX-CYBMUJFWSA-N 1 0 362.405 2.931 20 5 FFBDRO CC[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1nc(C)cs1 ZINC000184337196 510270117 /nfs/dbraw/zinc/27/01/17/510270117.db2.gz QCNBSDINOHVMTL-ZFWWWQNUSA-N 1 0 351.428 2.840 20 5 FFBDRO C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(C(F)(F)F)cc1 ZINC000174724121 510271364 /nfs/dbraw/zinc/27/13/64/510271364.db2.gz NGXRBFMVAKTIAG-IINYFYTJSA-N 1 0 358.320 2.522 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](C)c1nccs1 ZINC000184389889 510300813 /nfs/dbraw/zinc/30/08/13/510300813.db2.gz OXABCBGIHGFLQB-JTQLQIEISA-N 1 0 350.400 2.739 20 5 FFBDRO CN(CC(C)(C)C[NH3+])C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000262589866 510327306 /nfs/dbraw/zinc/32/73/06/510327306.db2.gz RSPWPSKNJGQJDV-UHFFFAOYSA-N 1 0 363.336 2.593 20 5 FFBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000174819435 510327438 /nfs/dbraw/zinc/32/74/38/510327438.db2.gz ISMQWZOOEWKVPE-LSDHHAIUSA-N 1 0 371.224 2.688 20 5 FFBDRO CCCc1n[nH]c(C(=O)N(C)CC[N@H+](C)C2CCCCC2)c1[N+](=O)[O-] ZINC000171804028 510380599 /nfs/dbraw/zinc/38/05/99/510380599.db2.gz QXPVVIQJXAACQC-UHFFFAOYSA-N 1 0 351.451 2.607 20 5 FFBDRO COc1cc(CN2[C@@H](CO)CCC[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000181404079 510392418 /nfs/dbraw/zinc/39/24/18/510392418.db2.gz RYTZDVKFBDRKQO-CMPLNLGQSA-N 1 0 360.357 2.940 20 5 FFBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CC[NH2+][C@@H](C)[C@@H]3C)cc2[N+](=O)[O-])C1 ZINC000262743767 510393031 /nfs/dbraw/zinc/39/30/31/510393031.db2.gz FIBCMFOBMCYIRF-FZKCQIBNSA-N 1 0 374.485 2.900 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246270940 510400501 /nfs/dbraw/zinc/40/05/01/510400501.db2.gz AEJMGEZJPBMYLI-KXBFYZLASA-N 1 0 372.469 2.790 20 5 FFBDRO Cc1cc(C(=O)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)cn2)cc([N+](=O)[O-])c1 ZINC000269448407 510412127 /nfs/dbraw/zinc/41/21/27/510412127.db2.gz SOVJIVRQBRYUHV-INIZCTEOSA-N 1 0 369.425 2.691 20 5 FFBDRO C[C@H]1C[C@@H](NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000262848722 510439667 /nfs/dbraw/zinc/43/96/67/510439667.db2.gz JTULMMSMUYROKW-JQWIXIFHSA-N 1 0 374.363 2.672 20 5 FFBDRO C[C@@H]1C[C@@H](NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000262848725 510439966 /nfs/dbraw/zinc/43/99/66/510439966.db2.gz JTULMMSMUYROKW-PWSUYJOCSA-N 1 0 374.363 2.672 20 5 FFBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N[C@@H]3CC[NH2+][C@@H](C)C3)cc2[N+](=O)[O-])C1 ZINC000262866913 510449001 /nfs/dbraw/zinc/44/90/01/510449001.db2.gz LXNJCLVOTPDVFE-QSJFSLAZSA-N 1 0 374.485 2.947 20 5 FFBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N[C@H]3CC[NH2+][C@H](C)C3)cc2[N+](=O)[O-])C1 ZINC000262866904 510449156 /nfs/dbraw/zinc/44/91/56/510449156.db2.gz LXNJCLVOTPDVFE-DLTWYDFYSA-N 1 0 374.485 2.947 20 5 FFBDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000246371639 510451828 /nfs/dbraw/zinc/45/18/28/510451828.db2.gz LWVUMMULJBMCBS-LSDHHAIUSA-N 1 0 360.458 2.904 20 5 FFBDRO O=C(c1ccn([C@H]2CCC[NH2+]C2)n1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000262889192 510459299 /nfs/dbraw/zinc/45/92/99/510459299.db2.gz ZWLYUZQXGJFTDI-KRWDZBQOSA-N 1 0 369.425 2.521 20 5 FFBDRO Nc1c(C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)cccc1[N+](=O)[O-] ZINC000178161174 510464894 /nfs/dbraw/zinc/46/48/94/510464894.db2.gz GNBHOFWQQKYAPC-INIZCTEOSA-N 1 0 354.410 2.744 20 5 FFBDRO Cn1c(Sc2c(F)cc([N+](=O)[O-])cc2F)nnc1[C@H]1CCC[NH2+]C1 ZINC000269618613 510486472 /nfs/dbraw/zinc/48/64/72/510486472.db2.gz HMKNEJWWEPLFCW-QMMMGPOBSA-N 1 0 355.370 2.620 20 5 FFBDRO Cc1cc(S(=O)(=O)NCCCC[NH+]2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000172017616 510501454 /nfs/dbraw/zinc/50/14/54/510501454.db2.gz CHAWDYQYBVIXSU-UHFFFAOYSA-N 1 0 369.487 2.694 20 5 FFBDRO C[NH+]1CCN(c2ncccc2CNc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000269663175 510503717 /nfs/dbraw/zinc/50/37/17/510503717.db2.gz UQPADJRALZTVDD-UHFFFAOYSA-N 1 0 363.368 2.632 20 5 FFBDRO C[C@@H](CC[NH+]1CCN(C)CC1)Nc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000184828240 510535473 /nfs/dbraw/zinc/53/54/73/510535473.db2.gz SNWIGLQBPDTSIX-LBPRGKRZSA-N 1 0 358.389 2.634 20 5 FFBDRO CC(C)CN1CCO[C@H](C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000178328434 510548839 /nfs/dbraw/zinc/54/88/39/510548839.db2.gz RNYAJKLQHSFFLD-MOPGFXCFSA-N 1 0 361.486 2.862 20 5 FFBDRO CC(C)C[NH+]1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000178431258 510601117 /nfs/dbraw/zinc/60/11/17/510601117.db2.gz LDWARJFRMWZUII-UHFFFAOYSA-N 1 0 370.247 2.771 20 5 FFBDRO CN(C(=O)c1cc([N+](=O)[O-])ccc1N)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000188212525 510650507 /nfs/dbraw/zinc/65/05/07/510650507.db2.gz YKUFYTGHFCDMSL-KRWDZBQOSA-N 1 0 368.437 2.914 20 5 FFBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])c(C)s2)[C@@H](C)C1 ZINC000246787329 510674576 /nfs/dbraw/zinc/67/45/76/510674576.db2.gz MJGLHZHQYKHUHG-GXTWGEPZSA-N 1 0 369.487 2.832 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)[C@@H](CCO)c1ccccc1 ZINC000266627511 510695656 /nfs/dbraw/zinc/69/56/56/510695656.db2.gz OIEGHTSRJDDXBF-KRWDZBQOSA-N 1 0 373.409 2.597 20 5 FFBDRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000246880039 510724468 /nfs/dbraw/zinc/72/44/68/510724468.db2.gz FVOMDHJWBZCQQZ-HOTGVXAUSA-N 1 0 358.442 2.868 20 5 FFBDRO C[NH+]1CCC([C@@H]2CCN(C(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)C2)CC1 ZINC000270229511 510726264 /nfs/dbraw/zinc/72/62/64/510726264.db2.gz NUNWQNZMYBTAIL-CQSZACIVSA-N 1 0 356.426 2.880 20 5 FFBDRO CN1CC[C@@H]([NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@@H]1c1ccccc1 ZINC000270235553 510727721 /nfs/dbraw/zinc/72/77/21/510727721.db2.gz BEGHVEQKPREZPX-MOPGFXCFSA-N 1 0 369.421 2.996 20 5 FFBDRO C[NH+]1CCC([C@H]2CCN(C(=O)c3cc(F)c([N+](=O)[O-])cc3F)C2)CC1 ZINC000270236231 510727821 /nfs/dbraw/zinc/72/78/21/510727821.db2.gz ONPDBEGQQHAGBT-LBPRGKRZSA-N 1 0 353.369 2.677 20 5 FFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000246944444 510761948 /nfs/dbraw/zinc/76/19/48/510761948.db2.gz CBMLPFOHMIGJCE-CKEIUWERSA-N 1 0 357.414 2.701 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](c3nccs3)C2)c1 ZINC000195343848 510793724 /nfs/dbraw/zinc/79/37/24/510793724.db2.gz ARWDPEUQOYFBJY-ZFWWWQNUSA-N 1 0 363.439 2.671 20 5 FFBDRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000247008505 510796066 /nfs/dbraw/zinc/79/60/66/510796066.db2.gz FRRPTJMWCHDFIZ-YOEHRIQHSA-N 1 0 356.426 2.961 20 5 FFBDRO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000182177097 510796835 /nfs/dbraw/zinc/79/68/35/510796835.db2.gz CXSCMZHJZZCMHP-WCQYABFASA-N 1 0 352.337 2.964 20 5 FFBDRO C[C@@H]([NH3+])C1CCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000178842339 510799327 /nfs/dbraw/zinc/79/93/27/510799327.db2.gz RCNOBWAGPYTOSW-LLVKDONJSA-N 1 0 360.439 2.918 20 5 FFBDRO CCCN(C(=O)Cc1ccc([N+](=O)[O-])cc1Br)[C@@H]1CC[NH2+]C1 ZINC000178901805 510827537 /nfs/dbraw/zinc/82/75/37/510827537.db2.gz FQPOJRXOAOLDDO-CYBMUJFWSA-N 1 0 370.247 2.500 20 5 FFBDRO C[C@@H](CCNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000182237613 510828761 /nfs/dbraw/zinc/82/87/61/510828761.db2.gz UVXUYVQZDPKFSO-HNNXBMFYSA-N 1 0 371.441 2.775 20 5 FFBDRO O=[N+]([O-])c1cccc(N2CC[NH+](C[C@@H](O)CCc3ccccc3)CC2)c1 ZINC000182239472 510830279 /nfs/dbraw/zinc/83/02/79/510830279.db2.gz HPONLQZKHSRWAR-FQEVSTJZSA-N 1 0 355.438 2.711 20 5 FFBDRO CC1(C)CN(Cc2ccccc2)CC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000282457609 510986146 /nfs/dbraw/zinc/98/61/46/510986146.db2.gz JJKOKQILDROOIW-SFHVURJKSA-N 1 0 357.458 2.682 20 5 FFBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000285659516 510998842 /nfs/dbraw/zinc/99/88/42/510998842.db2.gz FHTWSDWEKNXVEB-YOEHRIQHSA-N 1 0 356.426 2.635 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(OC)c(F)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000297711923 511043104 /nfs/dbraw/zinc/04/31/04/511043104.db2.gz NCQZDGJOIKIUTH-BXUZGUMPSA-N 1 0 353.394 2.545 20 5 FFBDRO CC(C)[N@@H+]1CCCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000271008223 511054137 /nfs/dbraw/zinc/05/41/37/511054137.db2.gz OHHUEVWVMTWMPE-UHFFFAOYSA-N 1 0 357.458 2.911 20 5 FFBDRO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)Cc1ccncc1 ZINC000271019192 511058013 /nfs/dbraw/zinc/05/80/13/511058013.db2.gz NRMXKHGXDNBJIN-UHFFFAOYSA-N 1 0 358.398 2.849 20 5 FFBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@H]2O)c1 ZINC000282647682 511058957 /nfs/dbraw/zinc/05/89/57/511058957.db2.gz HOGYQJHUUKEUAO-LRDDRELGSA-N 1 0 354.834 2.906 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000297802748 511072489 /nfs/dbraw/zinc/07/24/89/511072489.db2.gz HYUZMUFZFQQSIT-CVEARBPZSA-N 1 0 363.414 2.575 20 5 FFBDRO COc1ccc(OCC[N@@H+]2CC[C@H](C3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000361940038 511105937 /nfs/dbraw/zinc/10/59/37/511105937.db2.gz AMUAXIQOPNCQBL-HNNXBMFYSA-N 1 0 350.415 2.731 20 5 FFBDRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000294593250 511113986 /nfs/dbraw/zinc/11/39/86/511113986.db2.gz QSJUATDPTCRGAM-SNVBAGLBSA-N 1 0 357.332 2.828 20 5 FFBDRO CC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000364883665 511132127 /nfs/dbraw/zinc/13/21/27/511132127.db2.gz UYMGBLPGOPQIGE-CQSZACIVSA-N 1 0 373.413 2.535 20 5 FFBDRO CC(C)(CCC(=O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1)[N+](=O)[O-] ZINC000294677708 511140659 /nfs/dbraw/zinc/14/06/59/511140659.db2.gz JNLRGMHOFIOSTF-UHFFFAOYSA-N 1 0 359.470 2.871 20 5 FFBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000279646832 511159617 /nfs/dbraw/zinc/15/96/17/511159617.db2.gz WHVBSBYIGJTGCG-JTQLQIEISA-N 1 0 355.797 2.530 20 5 FFBDRO Cn1cc([C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])c(F)c3)CC23CCOCC3)cn1 ZINC000295108538 511284698 /nfs/dbraw/zinc/28/46/98/511284698.db2.gz IEDSCLMWRWKCJN-INIZCTEOSA-N 1 0 374.416 2.864 20 5 FFBDRO COc1ccc([C@@H](CO)[N@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000283224159 511284797 /nfs/dbraw/zinc/28/47/97/511284797.db2.gz IDHKAZLUZNHRIA-GOSISDBHSA-N 1 0 373.409 2.597 20 5 FFBDRO O=C(CCN1CCC[C@H]1C[NH+]1CCCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000283224290 511284909 /nfs/dbraw/zinc/28/49/09/511284909.db2.gz IELDAVJMGCFLES-INIZCTEOSA-N 1 0 360.458 2.874 20 5 FFBDRO COc1ccccc1COC[C@@H](O)C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000271727468 511302298 /nfs/dbraw/zinc/30/22/98/511302298.db2.gz MIEPPAYUKWBYEN-ZBFHGGJFSA-N 1 0 360.410 2.832 20 5 FFBDRO Cn1c(Sc2c3ccccc3ncc2[N+](=O)[O-])nnc1[C@H]1CCC[NH2+]C1 ZINC000291852893 511365537 /nfs/dbraw/zinc/36/55/37/511365537.db2.gz HIMCYUVYEGDONP-NSHDSACASA-N 1 0 370.438 2.890 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC=C(c3cccc(Cl)c3)CC2)c1 ZINC000280330588 511423571 /nfs/dbraw/zinc/42/35/71/511423571.db2.gz ZNLMAHMQGSVPDQ-QGZVFWFLSA-N 1 0 362.817 2.595 20 5 FFBDRO Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000283595698 511427622 /nfs/dbraw/zinc/42/76/22/511427622.db2.gz UBVOVZCRTLBUCC-OAHLLOKOSA-N 1 0 370.457 2.703 20 5 FFBDRO C[C@H]1CN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC[N@@H+](C2CCC2)C1 ZINC000292062259 511450642 /nfs/dbraw/zinc/45/06/42/511450642.db2.gz WSLYUOXICPTSGL-OAHLLOKOSA-N 1 0 360.458 2.653 20 5 FFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000280768890 511595452 /nfs/dbraw/zinc/59/54/52/511595452.db2.gz BPBZLQQJFWLZJP-HNNXBMFYSA-N 1 0 361.442 2.942 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](CCCO)CC(C)(C)C ZINC000299389586 511617999 /nfs/dbraw/zinc/61/79/99/511617999.db2.gz UALSBIGDWPRWEG-UHFFFAOYSA-N 1 0 367.446 2.663 20 5 FFBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)C1CC[NH+](C)CC1 ZINC000284235481 511651749 /nfs/dbraw/zinc/65/17/49/511651749.db2.gz HEBVSFCTZHMEKW-UHFFFAOYSA-N 1 0 370.247 2.832 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2nnc(C[NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)o2)cc1 ZINC000296195503 511652299 /nfs/dbraw/zinc/65/22/99/511652299.db2.gz LVWGDADQTZDKJO-IMJJTQAJSA-N 1 0 356.382 2.692 20 5 FFBDRO CCn1c(CC[NH3+])nnc1Sc1ccc([N+](=O)[O-])cc1Br ZINC000280925717 511655471 /nfs/dbraw/zinc/65/54/71/511655471.db2.gz DLSQQJPCLDQPIP-UHFFFAOYSA-N 1 0 372.248 2.621 20 5 FFBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@@H](OCc2ccncc2)C1 ZINC000280951462 511663853 /nfs/dbraw/zinc/66/38/53/511663853.db2.gz IVEPHAMBGSWYJI-GOEBONIOSA-N 1 0 370.409 2.608 20 5 FFBDRO O=C(CC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)Nc1ccc(F)cc1 ZINC000365820394 511667651 /nfs/dbraw/zinc/66/76/51/511667651.db2.gz NKCQRXNYJIGWRI-UHFFFAOYSA-N 1 0 361.377 2.596 20 5 FFBDRO NC(=O)c1ccc(C[NH2+][C@@H](c2ccccc2)C2(CO)CCC2)c([N+](=O)[O-])c1 ZINC000292833182 511737239 /nfs/dbraw/zinc/73/72/39/511737239.db2.gz UGVYGELQQKJDPU-SFHVURJKSA-N 1 0 369.421 2.687 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000296479891 511759950 /nfs/dbraw/zinc/75/99/50/511759950.db2.gz YGRYLAVLGPEAQT-BMGDILEWSA-N 1 0 359.426 2.779 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000296479901 511760198 /nfs/dbraw/zinc/76/01/98/511760198.db2.gz YGRYLAVLGPEAQT-QGTPRVQTSA-N 1 0 359.426 2.779 20 5 FFBDRO O=[N+]([O-])c1cc2c(c(-c3nc(-c4ccn5c[nH+]cc5c4)no3)c1)OCCO2 ZINC000350295093 511768275 /nfs/dbraw/zinc/76/82/75/511768275.db2.gz CBJKYCVOEFLYIB-UHFFFAOYSA-N 1 0 365.305 2.731 20 5 FFBDRO CC(C)NC(=O)c1ccc(N2CC[C@H](C[NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000292931971 511775833 /nfs/dbraw/zinc/77/58/33/511775833.db2.gz AMKCYRPSDGZBOE-OAHLLOKOSA-N 1 0 360.458 2.655 20 5 FFBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CCc2cn3c(n2)SCC3)c1 ZINC000274284256 511779792 /nfs/dbraw/zinc/77/97/92/511779792.db2.gz WAPPDWJEOZVEMJ-UHFFFAOYSA-N 1 0 370.381 2.831 20 5 FFBDRO COCCc1ccc(OC[C@H](O)C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000296677994 511848783 /nfs/dbraw/zinc/84/87/83/511848783.db2.gz HSYJGIJMCQICNS-HNAYVOBHSA-N 1 0 374.437 2.874 20 5 FFBDRO CC(C)(CO)[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000293204391 511879568 /nfs/dbraw/zinc/87/95/68/511879568.db2.gz XDQIUWMMAUOXHA-HNNXBMFYSA-N 1 0 355.822 2.573 20 5 FFBDRO [NH3+][C@@H]1CCCC[C@H]1CC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000296751050 511882125 /nfs/dbraw/zinc/88/21/25/511882125.db2.gz KJQIVNVNRSXHHT-KBXCAEBGSA-N 1 0 361.442 2.872 20 5 FFBDRO CCCc1n[nH]c(C(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000274615570 511888774 /nfs/dbraw/zinc/88/87/74/511888774.db2.gz YHCDFFIQYUFSTD-LRDDRELGSA-N 1 0 359.430 2.692 20 5 FFBDRO O=C(CC[NH+]1CCC2(CCOCC2)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000284838438 511892763 /nfs/dbraw/zinc/89/27/63/511892763.db2.gz SKVDEAXGCAUZDT-UHFFFAOYSA-N 1 0 365.405 2.955 20 5 FFBDRO Cc1c(NC(=O)[C@@H](C)N2CC[N@@H+](C3CC3)C[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000296801112 511903282 /nfs/dbraw/zinc/90/32/82/511903282.db2.gz UECRVMFMPWIILU-DZGCQCFKSA-N 1 0 360.458 2.646 20 5 FFBDRO CS[C@@H]1CN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C[C@@H]1[NH+]1CCCC1 ZINC000274851673 511964469 /nfs/dbraw/zinc/96/44/69/511964469.db2.gz AZNGKFVXCFGANH-DLBZAZTESA-N 1 0 374.466 2.728 20 5 FFBDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccc([N+](=O)[O-])cc3Br)C2)C1 ZINC000293605352 512024661 /nfs/dbraw/zinc/02/46/61/512024661.db2.gz CHQPPDYUJNTJLA-OAHLLOKOSA-N 1 0 368.231 2.525 20 5 FFBDRO COC(=O)Cc1ccc(N2CCC[C@H]([NH+]3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000297189703 512055747 /nfs/dbraw/zinc/05/57/47/512055747.db2.gz QMXCXCJRQLKMQR-INIZCTEOSA-N 1 0 361.442 2.765 20 5 FFBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@H]2CCO[C@@]3(CCOC3)C2)c1 ZINC000360063014 512070852 /nfs/dbraw/zinc/07/08/52/512070852.db2.gz XNPXYOOHSOKTSH-LRDDRELGSA-N 1 0 358.341 2.624 20 5 FFBDRO C[NH+](C)[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000411150599 512492646 /nfs/dbraw/zinc/49/26/46/512492646.db2.gz AHHDHSIQMSPPAP-HSALFYBXSA-N 1 0 367.449 2.987 20 5 FFBDRO COc1ccc([C@H](CO)[N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000411270856 512554870 /nfs/dbraw/zinc/55/48/70/512554870.db2.gz QFEMXPNBQZAEPK-SFHVURJKSA-N 1 0 373.409 2.597 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(CC(=O)NC2CC[NH+](CC(C)C)CC2)c1F ZINC000411276339 512557910 /nfs/dbraw/zinc/55/79/10/512557910.db2.gz TUTREWLZBILVIY-UHFFFAOYSA-N 1 0 367.421 2.522 20 5 FFBDRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000367594288 512575102 /nfs/dbraw/zinc/57/51/02/512575102.db2.gz PQSSOIISZLGVLN-KBPBESRZSA-N 1 0 361.423 2.540 20 5 FFBDRO CO[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000367624974 512589358 /nfs/dbraw/zinc/58/93/58/512589358.db2.gz KACNZGQOCLGUFN-QXAKKESOSA-N 1 0 371.437 2.697 20 5 FFBDRO Cc1c(NC(=O)CC[N@H+]2CC[C@@H](Cc3cnn(C)c3)C2)cccc1[N+](=O)[O-] ZINC000370012962 512728402 /nfs/dbraw/zinc/72/84/02/512728402.db2.gz UKXSPVFPJHDPGS-HNNXBMFYSA-N 1 0 371.441 2.530 20 5 FFBDRO C[N@@H+]1C[C@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)[C@H](c2ccccc2)C1 ZINC000374301613 512753748 /nfs/dbraw/zinc/75/37/48/512753748.db2.gz KKVJQGDKDAHADR-OALUTQOASA-N 1 0 353.422 2.741 20 5 FFBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])c3cccnc32)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000374306575 512756709 /nfs/dbraw/zinc/75/67/09/512756709.db2.gz AVAFTHWHGXTUJC-WBVHZDCISA-N 1 0 369.469 2.605 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCCC[C@H]1CCO ZINC000411706576 512770757 /nfs/dbraw/zinc/77/07/57/512770757.db2.gz XRISDWQHKPBDLC-AWEZNQCLSA-N 1 0 365.430 2.559 20 5 FFBDRO Nc1c(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000379688637 512871920 /nfs/dbraw/zinc/87/19/20/512871920.db2.gz ZLCOWPNXOOLBAG-INIZCTEOSA-N 1 0 368.437 2.962 20 5 FFBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000376567788 512877365 /nfs/dbraw/zinc/87/73/65/512877365.db2.gz AHFZDWCUEVOEAQ-IUODEOHRSA-N 1 0 353.369 2.772 20 5 FFBDRO C[N@H+](Cc1ccccc1)C1(CNC(=O)c2cccc([N+](=O)[O-])c2N)CCC1 ZINC000386688805 512889734 /nfs/dbraw/zinc/88/97/34/512889734.db2.gz JYMRJPJGGQCMRL-UHFFFAOYSA-N 1 0 368.437 2.962 20 5 FFBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)C[C@H]21 ZINC000374625361 512924758 /nfs/dbraw/zinc/92/47/58/512924758.db2.gz SSHGHRKQBQAXRO-NWANDNLSSA-N 1 0 372.450 2.918 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(CC(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)c1F ZINC000412055235 512934802 /nfs/dbraw/zinc/93/48/02/512934802.db2.gz OIROXQMASBYIAV-CHWSQXEVSA-N 1 0 367.421 2.664 20 5 FFBDRO CC(C)Oc1cc(C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000412126932 512970543 /nfs/dbraw/zinc/97/05/43/512970543.db2.gz PWLJOBUGYXMQPT-OAHLLOKOSA-N 1 0 361.442 2.940 20 5 FFBDRO C[C@@H](NC(=O)c1c(N)cccc1[N+](=O)[O-])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000374797699 513009146 /nfs/dbraw/zinc/00/91/46/513009146.db2.gz FUSIWKIWWUYVAW-ZBFHGGJFSA-N 1 0 368.437 2.817 20 5 FFBDRO C[NH+]1CCC(N2CC[C@H]([NH2+][C@H](Cc3ccccc3[N+](=O)[O-])C3CC3)C2)CC1 ZINC000370624065 513020241 /nfs/dbraw/zinc/02/02/41/513020241.db2.gz GOTWQTBXNGWYNZ-AZUAARDMSA-N 1 0 372.513 2.674 20 5 FFBDRO C[NH+](C)C1(CNc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CCOCC1 ZINC000450335000 513146973 /nfs/dbraw/zinc/14/69/73/513146973.db2.gz VYGNUTAEIBNLKC-UHFFFAOYSA-N 1 0 362.455 2.663 20 5 FFBDRO CC(C)c1n[nH]c(C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000433827976 513160802 /nfs/dbraw/zinc/16/08/02/513160802.db2.gz GBRJACGOVIEGEB-ZDUSSCGKSA-N 1 0 351.451 2.826 20 5 FFBDRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000412561228 513163053 /nfs/dbraw/zinc/16/30/53/513163053.db2.gz DLOCUBCCXKUTHJ-UHFFFAOYSA-N 1 0 365.411 2.858 20 5 FFBDRO [NH3+][C@@H](CNC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000417722255 513180692 /nfs/dbraw/zinc/18/06/92/513180692.db2.gz VDRRKGYKKZTXRE-SFHVURJKSA-N 1 0 356.426 2.917 20 5 FFBDRO COC(=O)[C@]1(c2ccccc2)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000428816448 513201686 /nfs/dbraw/zinc/20/16/86/513201686.db2.gz ILTBPZBCWDTLNU-HXUWFJFHSA-N 1 0 370.405 2.920 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H]([NH+](C)C)[C@@H](SC)C1 ZINC000439885107 513203793 /nfs/dbraw/zinc/20/37/93/513203793.db2.gz BSPZMHPIFIVHFT-HIFRSBDPSA-N 1 0 368.459 2.503 20 5 FFBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000429001790 513248766 /nfs/dbraw/zinc/24/87/66/513248766.db2.gz WZHFBRAJVKXBPV-ATNYBXOESA-N 1 0 360.458 2.584 20 5 FFBDRO C[C@@H](CCNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000450569625 513254722 /nfs/dbraw/zinc/25/47/22/513254722.db2.gz VHIYDGNSXJEGRR-HNNXBMFYSA-N 1 0 361.442 2.938 20 5 FFBDRO Cc1cc(NC[C@@H]2CCC[N@@H+]2CCCO)c(Br)cc1[N+](=O)[O-] ZINC000450601660 513268824 /nfs/dbraw/zinc/26/88/24/513268824.db2.gz ZCGCTCWFAMQPAP-LBPRGKRZSA-N 1 0 372.263 2.924 20 5 FFBDRO C[C@H]1CCCN(c2ccc(C(=O)NCC[C@@H]3CC[NH2+]C3)cc2[N+](=O)[O-])C1 ZINC000429103090 513277603 /nfs/dbraw/zinc/27/76/03/513277603.db2.gz BNAJYOKZCYWWOF-GJZGRUSLSA-N 1 0 360.458 2.561 20 5 FFBDRO C[C@H]1C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)Cc2ccccc2O1 ZINC000429183465 513300947 /nfs/dbraw/zinc/30/09/47/513300947.db2.gz FLNWKIHXRKQASK-WMLDXEAASA-N 1 0 358.394 2.618 20 5 FFBDRO C[C@H]1CCCN(c2ccc(C(=O)N[C@](C)(C[NH3+])C3CC3)cc2[N+](=O)[O-])C1 ZINC000429221613 513307655 /nfs/dbraw/zinc/30/76/55/513307655.db2.gz KSGUAQIXZDHZIX-ORAYPTAESA-N 1 0 360.458 2.688 20 5 FFBDRO CC[N@@H+]1CC[C@H](NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000412867288 513312860 /nfs/dbraw/zinc/31/28/60/513312860.db2.gz ALUAHHBANHCSJD-LBPRGKRZSA-N 1 0 353.397 2.644 20 5 FFBDRO CC[N@@H+]1CC[C@@H](NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000412867285 513313299 /nfs/dbraw/zinc/31/32/99/513313299.db2.gz ALUAHHBANHCSJD-GFCCVEGCSA-N 1 0 353.397 2.644 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC2CC[NH+](Cc3cccnc3)CC2)c1 ZINC000429317631 513338381 /nfs/dbraw/zinc/33/83/81/513338381.db2.gz OMEGCNSTQKZGFF-UHFFFAOYSA-N 1 0 370.409 2.853 20 5 FFBDRO CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000434495711 513342571 /nfs/dbraw/zinc/34/25/71/513342571.db2.gz YIVLTYPVILXWDL-UHFFFAOYSA-N 1 0 358.398 2.674 20 5 FFBDRO CC(C)(C)C(=O)N1CCC([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000446830793 513345510 /nfs/dbraw/zinc/34/55/10/513345510.db2.gz WXRPEXGXNHVFEN-UHFFFAOYSA-N 1 0 359.430 2.598 20 5 FFBDRO [NH3+][C@@H]1CCC[C@H](NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000418089949 513368994 /nfs/dbraw/zinc/36/89/94/513368994.db2.gz NCNMNHZXTIQDOJ-NEPJUHHUSA-N 1 0 360.336 2.683 20 5 FFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CCCCN1C1CC1 ZINC000446976934 513373761 /nfs/dbraw/zinc/37/37/61/513373761.db2.gz ZEDUSGDRFVWYLG-KSSFIOAISA-N 1 0 360.458 2.918 20 5 FFBDRO C[C@@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[C@@H](C)C[N@@H+]1CCO ZINC000418105907 513373949 /nfs/dbraw/zinc/37/39/49/513373949.db2.gz BQIBKYGTTIABNK-CABCVRRESA-N 1 0 359.426 2.742 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000421704669 513377092 /nfs/dbraw/zinc/37/70/92/513377092.db2.gz PJQANXNNQIGJQR-YPMHNXCESA-N 1 0 355.822 2.568 20 5 FFBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000421708132 513381187 /nfs/dbraw/zinc/38/11/87/513381187.db2.gz ZFRPSHPTCFBISW-MRXNPFEDSA-N 1 0 363.461 2.707 20 5 FFBDRO C[NH2+]C[C@H]1CCN(C(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC000429466249 513383581 /nfs/dbraw/zinc/38/35/81/513383581.db2.gz IDSRWGSQDWRCLW-LSDHHAIUSA-N 1 0 360.458 2.513 20 5 FFBDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000415702243 513388435 /nfs/dbraw/zinc/38/84/35/513388435.db2.gz PMCBVUTVMLWIPU-BDAKNGLRSA-N 1 0 357.208 2.558 20 5 FFBDRO C[C@@H](CCCC[NH3+])NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415700561 513388636 /nfs/dbraw/zinc/38/86/36/513388636.db2.gz MTNLCQKZJJHHLX-VIFPVBQESA-N 1 0 359.224 2.996 20 5 FFBDRO COC(=O)c1cc(NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc(C)c1[N+](=O)[O-] ZINC000440714263 513390598 /nfs/dbraw/zinc/39/05/98/513390598.db2.gz DMWXUSCORUHTFX-ZIAGYGMSSA-N 1 0 365.430 2.601 20 5 FFBDRO C[C@H](NC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000418332714 513467253 /nfs/dbraw/zinc/46/72/53/513467253.db2.gz DLEUXTVVWKROLK-USXIJHARSA-N 1 0 360.458 2.872 20 5 FFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]Cc2ccc3c(c2)OCCO3)n1 ZINC000447513653 513494330 /nfs/dbraw/zinc/49/43/30/513494330.db2.gz YACGPVDGFLJCRK-CABCVRRESA-N 1 0 358.398 2.836 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCC[C@H]([C@@H]4CCOC4)C3)n2)cc1 ZINC000441198870 513509287 /nfs/dbraw/zinc/50/92/87/513509287.db2.gz CKNMIHOWRKERCW-LSDHHAIUSA-N 1 0 358.398 2.893 20 5 FFBDRO Cc1cccc(C[C@H](CO)[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000447600121 513518390 /nfs/dbraw/zinc/51/83/90/513518390.db2.gz ZNNUIDYINMQPTB-FGTMMUONSA-N 1 0 358.442 2.777 20 5 FFBDRO CCC[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](C)c1ccccc1OC ZINC000441289770 513531377 /nfs/dbraw/zinc/53/13/77/513531377.db2.gz VHFJHCXESKTZDD-GDBMZVCRSA-N 1 0 362.430 2.634 20 5 FFBDRO [NH3+]CC[C@H](NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)C(F)(F)F ZINC000416002704 513532770 /nfs/dbraw/zinc/53/27/70/513532770.db2.gz FQLFYYSLYRRHTN-ZDUSSCGKSA-N 1 0 360.336 2.549 20 5 FFBDRO CC[NH+](CC)CCOC1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000447684703 513541857 /nfs/dbraw/zinc/54/18/57/513541857.db2.gz DACYQOZOTLWWQD-UHFFFAOYSA-N 1 0 361.446 2.798 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000416136776 513591196 /nfs/dbraw/zinc/59/11/96/513591196.db2.gz UNIOJYNEHUAQJY-QGZVFWFLSA-N 1 0 357.410 2.913 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC000430229818 513593630 /nfs/dbraw/zinc/59/36/30/513593630.db2.gz UIZFVPUEJXUVCL-CQSZACIVSA-N 1 0 363.458 2.976 20 5 FFBDRO CCc1ccccc1[C@H]([NH3+])CNC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000418654287 513595012 /nfs/dbraw/zinc/59/50/12/513595012.db2.gz POMJOCQOIXJMSO-QGZVFWFLSA-N 1 0 356.426 2.999 20 5 FFBDRO Cc1ncsc1CN(C[C@@H]1CC[NH2+]C1)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000435601801 513632459 /nfs/dbraw/zinc/63/24/59/513632459.db2.gz QSXAUZSFXSJDLS-OAHLLOKOSA-N 1 0 374.466 2.541 20 5 FFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000418752821 513641128 /nfs/dbraw/zinc/64/11/28/513641128.db2.gz UKMDPSILSRWOTM-CQSZACIVSA-N 1 0 356.373 2.512 20 5 FFBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000435628578 513644478 /nfs/dbraw/zinc/64/44/78/513644478.db2.gz VEYSNTCPJZMRMN-OAHLLOKOSA-N 1 0 367.471 2.670 20 5 FFBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000451298221 513660572 /nfs/dbraw/zinc/66/05/72/513660572.db2.gz VSHXRUJEBKWYDO-QGZVFWFLSA-N 1 0 371.441 2.631 20 5 FFBDRO Cc1c(NC(=O)[C@H](C)N2CCC([NH2+]CC3CC3)CC2)cccc1[N+](=O)[O-] ZINC000430558324 513687750 /nfs/dbraw/zinc/68/77/50/513687750.db2.gz QAYOZRHHIZMRQM-AWEZNQCLSA-N 1 0 360.458 2.694 20 5 FFBDRO C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])n2C)CC[N@@H+]1Cc1ccccc1 ZINC000430662862 513715579 /nfs/dbraw/zinc/71/55/79/513715579.db2.gz KSFDTVUAOZOSFK-GOEBONIOSA-N 1 0 356.426 2.716 20 5 FFBDRO CN(C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)C(C)(C)C[NH+]1CCCC1 ZINC000416333082 513716515 /nfs/dbraw/zinc/71/65/15/513716515.db2.gz JYAKAJKWGSQTPW-UHFFFAOYSA-N 1 0 371.441 2.931 20 5 FFBDRO CN(C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)C(C)(C)C[NH+]1CCCC1 ZINC000416335872 513717892 /nfs/dbraw/zinc/71/78/92/513717892.db2.gz WZHDBGXKAZTFCV-UHFFFAOYSA-N 1 0 372.425 2.795 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000451414733 513733682 /nfs/dbraw/zinc/73/36/82/513733682.db2.gz IVTUBVANNDYIPN-JQHSSLGASA-N 1 0 361.442 2.857 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCC[C@@H]3[C@H]3CCC[C@H]3O)o2)cc1 ZINC000451413368 513734461 /nfs/dbraw/zinc/73/44/61/513734461.db2.gz GYWMJTHVVZRYPU-BZUAXINKSA-N 1 0 358.398 2.770 20 5 FFBDRO Cc1cc(S(=O)(=O)N(C)C2CC[NH+](C(C)C)CC2)c(C)cc1[N+](=O)[O-] ZINC000416372312 513738501 /nfs/dbraw/zinc/73/85/01/513738501.db2.gz KHUPOYQCMBUEHN-UHFFFAOYSA-N 1 0 369.487 2.705 20 5 FFBDRO CC1(C)[C@H]([NH2+]Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[C@H]2CCCO[C@H]21 ZINC000451477313 513773934 /nfs/dbraw/zinc/77/39/34/513773934.db2.gz HFMPJTWYJCSWPC-FVQBIDKESA-N 1 0 358.398 2.938 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1C[C@](C)(OC)C1(C)C ZINC000451496351 513789075 /nfs/dbraw/zinc/78/90/75/513789075.db2.gz UMHMIXNKTMLNJM-QAPCUYQASA-N 1 0 365.430 2.725 20 5 FFBDRO COc1ccc(OCCN(C)C(C)(C)C[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000419371580 513790111 /nfs/dbraw/zinc/79/01/11/513790111.db2.gz DUUCZEKFTCRNSD-UHFFFAOYSA-N 1 0 351.447 2.788 20 5 FFBDRO COc1ccc(NC(=O)C[NH2+][C@@H]2C[C@H](OC(C)C)C2(C)C)c([N+](=O)[O-])c1 ZINC000451499173 513790101 /nfs/dbraw/zinc/79/01/01/513790101.db2.gz MMHVUUCCXXOWRD-CVEARBPZSA-N 1 0 365.430 2.724 20 5 FFBDRO CC(C)[NH+](CCNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)C(C)C ZINC000448604834 513804782 /nfs/dbraw/zinc/80/47/82/513804782.db2.gz JPHRDKQUTNPMDB-UHFFFAOYSA-N 1 0 359.430 2.629 20 5 FFBDRO C[C@H]1C[NH+](CCCNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])C[C@H](C)O1 ZINC000436261026 513809862 /nfs/dbraw/zinc/80/98/62/513809862.db2.gz AOVKAFNCMJQEES-QWRGUYRKSA-N 1 0 362.352 2.920 20 5 FFBDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000436288528 513817177 /nfs/dbraw/zinc/81/71/77/513817177.db2.gz VYKVRMWUAUJCCI-GUTXKFCHSA-N 1 0 363.414 2.633 20 5 FFBDRO CCO[C@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C[C@H]1C ZINC000451540409 513819067 /nfs/dbraw/zinc/81/90/67/513819067.db2.gz KWARWSLLMSQAOD-CJNGLKHVSA-N 1 0 365.430 2.679 20 5 FFBDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000436299603 513821089 /nfs/dbraw/zinc/82/10/89/513821089.db2.gz SKFMVQLEQCHWPR-CBBWQLFWSA-N 1 0 350.419 2.596 20 5 FFBDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3cc(-n4ccnc4)cs3)CC2)n1 ZINC000426005737 513824535 /nfs/dbraw/zinc/82/45/35/513824535.db2.gz YMWROWDMKAGFOA-UHFFFAOYSA-N 1 0 358.427 2.876 20 5 FFBDRO CCO[C@@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C[C@H]1C ZINC000451552579 513828905 /nfs/dbraw/zinc/82/89/05/513828905.db2.gz YWVCWUMXJCMTQA-CZUORRHYSA-N 1 0 365.430 2.679 20 5 FFBDRO COc1ccc(NC(=O)[C@@H](C)N2CC[C@H](OC)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000451562220 513834699 /nfs/dbraw/zinc/83/46/99/513834699.db2.gz IXEDDWXVNDLWNG-WBMJQRKESA-N 1 0 365.430 2.677 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CC[C@@H](OC)C(C)(C)C1 ZINC000451566721 513837506 /nfs/dbraw/zinc/83/75/06/513837506.db2.gz OURZFUABTVMZFQ-BLLLJJGKSA-N 1 0 365.430 2.677 20 5 FFBDRO CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000451592341 513853683 /nfs/dbraw/zinc/85/36/83/513853683.db2.gz QUWDRENSRQNMAI-CABCVRRESA-N 1 0 366.414 2.694 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H](C(C)C)[C@H](CO)C(C)C ZINC000451595804 513856348 /nfs/dbraw/zinc/85/63/48/513856348.db2.gz KWGKPEXQNPDGLO-CRAIPNDOSA-N 1 0 351.447 2.720 20 5 FFBDRO COc1cc(C(=O)N2CC[NH+](CCC(C)(C)C)CC2)c([N+](=O)[O-])cc1F ZINC000448764627 513886955 /nfs/dbraw/zinc/88/69/55/513886955.db2.gz MVRPIHOFJMFCDN-UHFFFAOYSA-N 1 0 367.421 2.937 20 5 FFBDRO CC(C)[C@@H]([NH3+])CNC(=O)c1cc(F)cc2c1[nH]c1ccc(F)cc1c2=O ZINC000422858330 513955484 /nfs/dbraw/zinc/95/54/84/513955484.db2.gz ZTZBIWGAGABEFV-HNNXBMFYSA-N 1 0 359.376 2.673 20 5 FFBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@](C)(O)CC[NH+](C)C ZINC000420008102 513996194 /nfs/dbraw/zinc/99/61/94/513996194.db2.gz DDLXHGCVSPMJCT-QGZVFWFLSA-N 1 0 369.487 2.529 20 5 FFBDRO Cc1cc(OCC(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000431831632 514013726 /nfs/dbraw/zinc/01/37/26/514013726.db2.gz HGOPVDVMCXYVPX-KUHUBIRLSA-N 1 0 363.458 2.909 20 5 FFBDRO CN1CCC[C@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])c2ccccc21 ZINC000451870591 514034801 /nfs/dbraw/zinc/03/48/01/514034801.db2.gz PPJYZCKVEXDTBM-RDJZCZTQSA-N 1 0 371.437 2.895 20 5 FFBDRO O=C(NCC[N@H+]1CC=CCC1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000431921750 514040791 /nfs/dbraw/zinc/04/07/91/514040791.db2.gz CWWBOPVMNVEAGD-UHFFFAOYSA-N 1 0 356.329 2.580 20 5 FFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC1(CS(C)(=O)=O)CCC1 ZINC000414320114 514045110 /nfs/dbraw/zinc/04/51/10/514045110.db2.gz ABWVHWIEERBFKM-CQSZACIVSA-N 1 0 354.472 2.720 20 5 FFBDRO COc1cc(C[NH2+][C@H]2CCO[C@@H]2c2c(C)nn(C)c2C)ccc1[N+](=O)[O-] ZINC000431976404 514056224 /nfs/dbraw/zinc/05/62/24/514056224.db2.gz CTFXCECHQXTSHE-KSSFIOAISA-N 1 0 360.414 2.574 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CC[C@H]3C[NH2+]C[C@@H]3C2)nc1OCc1ccccc1 ZINC000420257757 514063075 /nfs/dbraw/zinc/06/30/75/514063075.db2.gz KMOBXSLNKBZWFI-JKSUJKDBSA-N 1 0 354.410 2.615 20 5 FFBDRO CCc1ccccc1[C@@H]([NH3+])CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000420280497 514070418 /nfs/dbraw/zinc/07/04/18/514070418.db2.gz QJKYATKDVREREC-HNNXBMFYSA-N 1 0 363.439 2.673 20 5 FFBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@H](CO)Cc1cc(F)c(F)c(F)c1 ZINC000443995407 514095141 /nfs/dbraw/zinc/09/51/41/514095141.db2.gz MZZOPJHXMFGJCX-GFCCVEGCSA-N 1 0 354.328 2.953 20 5 FFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](CO)Cc2cc(F)c(F)c(F)c2)cc1 ZINC000443998792 514095396 /nfs/dbraw/zinc/09/53/96/514095396.db2.gz WPDBCBDMVISEJH-ZDUSSCGKSA-N 1 0 354.328 2.953 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@@]3(CCSC3)C2)c1 ZINC000451963699 514098565 /nfs/dbraw/zinc/09/85/65/514098565.db2.gz IURGVNBELQKNLI-DOTOQJQBSA-N 1 0 352.456 2.554 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCN(c2cccnc2)C1=O ZINC000449238208 514126562 /nfs/dbraw/zinc/12/65/62/514126562.db2.gz FQJUXRREQOIODC-RHSMWYFYSA-N 1 0 354.410 2.706 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCN(Cc2ccccn2)C1=O ZINC000449240673 514126607 /nfs/dbraw/zinc/12/66/07/514126607.db2.gz OHLGMOJPIUNIJB-YJBOKZPZSA-N 1 0 368.437 2.702 20 5 FFBDRO Cc1cc(N2CCC[C@H]([NH2+][C@H](C)Cc3ccccc3[N+](=O)[O-])C2)n(C)n1 ZINC000449285506 514145992 /nfs/dbraw/zinc/14/59/92/514145992.db2.gz RYJPTIWJUKKQRX-PBHICJAKSA-N 1 0 357.458 2.826 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCN(C(=O)Cc2ccccc2)C1 ZINC000449314112 514160688 /nfs/dbraw/zinc/16/06/88/514160688.db2.gz YXCSZEACPBDPBE-VQIMIIECSA-N 1 0 367.449 2.959 20 5 FFBDRO COc1cc(C[NH2+][C@@H]2CCN(c3ccc(F)cc3)C2)c([N+](=O)[O-])cc1O ZINC000414562831 514181778 /nfs/dbraw/zinc/18/17/78/514181778.db2.gz BBYMZKBSTXHEAJ-CQSZACIVSA-N 1 0 361.373 2.817 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCn1cc(Br)ccc1=O ZINC000449381438 514187920 /nfs/dbraw/zinc/18/79/20/514187920.db2.gz YVROXIRAPMXLDB-UHFFFAOYSA-N 1 0 366.215 2.617 20 5 FFBDRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000423636946 514190699 /nfs/dbraw/zinc/19/06/99/514190699.db2.gz QQLXYLKEVUSLTE-IQMDTDKHSA-N 1 0 357.863 2.843 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H]3CCCCN3CCO)o2)cc1 ZINC000449389037 514191067 /nfs/dbraw/zinc/19/10/67/514191067.db2.gz BQGZXOMBOVSSHI-QGZVFWFLSA-N 1 0 359.426 2.791 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000427374357 514196767 /nfs/dbraw/zinc/19/67/67/514196767.db2.gz AYVXSAUSWRECNC-UHFFFAOYSA-N 1 0 363.439 2.869 20 5 FFBDRO C[C@@H]1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000423687636 514200917 /nfs/dbraw/zinc/20/09/17/514200917.db2.gz VVLLBMPCYRNMTH-PWSUYJOCSA-N 1 0 357.863 2.926 20 5 FFBDRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000423738006 514215535 /nfs/dbraw/zinc/21/55/35/514215535.db2.gz GQDUCSVEDRYRCN-ZDUSSCGKSA-N 1 0 357.863 2.845 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000414656072 514225686 /nfs/dbraw/zinc/22/56/86/514225686.db2.gz MHSXAOVWDDDUGG-LSDHHAIUSA-N 1 0 356.382 2.562 20 5 FFBDRO O=C(Nc1cccc(C[NH+]2CCC(O)CC2)c1)c1ccc([N+](=O)[O-])s1 ZINC000444453982 514234482 /nfs/dbraw/zinc/23/44/82/514234482.db2.gz LGNAUYCRBVBASM-UHFFFAOYSA-N 1 0 361.423 2.865 20 5 FFBDRO [NH3+]CCC[C@@H](NC(=O)NCCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000417236235 514251153 /nfs/dbraw/zinc/25/11/53/514251153.db2.gz SYPKZPKPQLYNIH-GOSISDBHSA-N 1 0 356.426 2.917 20 5 FFBDRO CCOc1cc(NC(=O)N[C@](C)(C[NH3+])C(C)C)c([N+](=O)[O-])cc1OCC ZINC000414753183 514273355 /nfs/dbraw/zinc/27/33/55/514273355.db2.gz DHNDUOODSKNFQH-QGZVFWFLSA-N 1 0 368.434 2.887 20 5 FFBDRO O=C(NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1ccc([N+](=O)[O-])s1 ZINC000449644892 514278566 /nfs/dbraw/zinc/27/85/66/514278566.db2.gz HHEXVCRHLKQNGN-GXTWGEPZSA-N 1 0 363.414 2.919 20 5 FFBDRO [NH3+][C@H]1CCC[C@@H](CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000449646372 514278836 /nfs/dbraw/zinc/27/88/36/514278836.db2.gz NPEJYBJACXRCQR-KOLCDFICSA-N 1 0 356.220 2.605 20 5 FFBDRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000449647884 514280651 /nfs/dbraw/zinc/28/06/51/514280651.db2.gz PZJHRGYSLOIBIX-NXEZZACHSA-N 1 0 356.220 2.605 20 5 FFBDRO CN(C)C(=O)[C@@H]1CC[C@H](C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)O1 ZINC000417313554 514288229 /nfs/dbraw/zinc/28/82/29/514288229.db2.gz WNSKIGSSMHNOCE-NJAFHUGGSA-N 1 0 361.442 2.588 20 5 FFBDRO CN(C)C(=O)[C@@H]1CC[C@@H](C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)O1 ZINC000417313556 514288762 /nfs/dbraw/zinc/28/87/62/514288762.db2.gz WNSKIGSSMHNOCE-SZMVWBNQSA-N 1 0 361.442 2.588 20 5 FFBDRO CCCOc1cc(NC(=O)N[C@H](C)C[NH3+])c([N+](=O)[O-])cc1OCCC ZINC000414781981 514289790 /nfs/dbraw/zinc/28/97/90/514289790.db2.gz IACDHWQZIHHLHP-LLVKDONJSA-N 1 0 354.407 2.641 20 5 FFBDRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000452345836 514297623 /nfs/dbraw/zinc/29/76/23/514297623.db2.gz SJOSYAGXOMLRKO-HNNXBMFYSA-N 1 0 351.422 2.903 20 5 FFBDRO CN(C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H](C[NH3+])C1CC1 ZINC000423944256 514301462 /nfs/dbraw/zinc/30/14/62/514301462.db2.gz HJESVTRVITXFQX-CQSZACIVSA-N 1 0 374.363 2.611 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N[C@H](C[NH3+])C(C)(C)C)cc2[N+](=O)[O-])C1 ZINC000423954349 514305558 /nfs/dbraw/zinc/30/55/58/514305558.db2.gz RXLBLMQCMFXVLC-CXAGYDPISA-N 1 0 362.474 2.934 20 5 FFBDRO COc1cc(C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)cc([N+](=O)[O-])c1C ZINC000424026960 514348312 /nfs/dbraw/zinc/34/83/12/514348312.db2.gz LSQRNKHYNWNJHZ-GOEBONIOSA-N 1 0 373.384 2.618 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NCCCC[NH+]1CCOCC1 ZINC000427991349 514368582 /nfs/dbraw/zinc/36/85/82/514368582.db2.gz KKIHDHJTRGZJCI-UHFFFAOYSA-N 1 0 371.821 2.559 20 5 FFBDRO C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000424077907 514371199 /nfs/dbraw/zinc/37/11/99/514371199.db2.gz PSIGCEZRZWEUKY-SQWLQELKSA-N 1 0 360.458 2.701 20 5 FFBDRO C[NH+](C)Cc1ccccc1C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000433223809 514428218 /nfs/dbraw/zinc/42/82/18/514428218.db2.gz SYPKMFROLYMCKE-UHFFFAOYSA-N 1 0 368.437 2.619 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C[C@@H]1C ZINC000449971135 514447819 /nfs/dbraw/zinc/44/78/19/514447819.db2.gz JSYSWFMKGGLGER-GOEBONIOSA-N 1 0 371.441 2.725 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000449973935 514448735 /nfs/dbraw/zinc/44/87/35/514448735.db2.gz SYSMDXLAEWFQEE-ZBFHGGJFSA-N 1 0 361.442 2.889 20 5 FFBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000449986022 514453718 /nfs/dbraw/zinc/45/37/18/514453718.db2.gz FVZPVMXTMZJLGW-OAHLLOKOSA-N 1 0 371.441 2.584 20 5 FFBDRO CCc1ccc([C@@H](CNc2cccc(C(N)=O)c2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000439137080 514499187 /nfs/dbraw/zinc/49/91/87/514499187.db2.gz ZMWGERWCMOVXGV-QGZVFWFLSA-N 1 0 356.426 2.971 20 5 FFBDRO O=C(C[NH2+][C@@H](c1cccnc1)C1CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000445814672 514525445 /nfs/dbraw/zinc/52/54/45/514525445.db2.gz AWCMGPDCFRVQTB-LJQANCHMSA-N 1 0 352.394 2.620 20 5 FFBDRO C[C@H]1C[N@@H+](C2CCN(c3nccc4cc([N+](=O)[O-])ccc43)CC2)CCO1 ZINC000450260385 514569089 /nfs/dbraw/zinc/56/90/89/514569089.db2.gz JLWCLXRWGQWVKS-AWEZNQCLSA-N 1 0 356.426 2.833 20 5 FFBDRO CC(C)C[C@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)[NH2+][C@@H](C)c1ccccc1 ZINC000497782184 514635811 /nfs/dbraw/zinc/63/58/11/514635811.db2.gz KAFIDULVHYOXIM-DZGCQCFKSA-N 1 0 359.430 2.813 20 5 FFBDRO CCCC[N@H+](C)CC1CCN(C(=O)c2ccc([N+](=O)[O-])c(NC)n2)CC1 ZINC000455641525 514653999 /nfs/dbraw/zinc/65/39/99/514653999.db2.gz QHKOGUAZNDPXJS-UHFFFAOYSA-N 1 0 363.462 2.616 20 5 FFBDRO C[C@@H](c1ccccc1)N(C)C(=O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000488972567 514658022 /nfs/dbraw/zinc/65/80/22/514658022.db2.gz GIYUPFBKPVSDBM-HNNXBMFYSA-N 1 0 371.441 2.648 20 5 FFBDRO Cc1cccc(NC(=O)[C@H](C)[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000489047517 514684337 /nfs/dbraw/zinc/68/43/37/514684337.db2.gz WANIOROAZJBFQL-AWEZNQCLSA-N 1 0 357.414 2.764 20 5 FFBDRO CCOc1cc(N2CC[NH+](C[C@@H]3CCSC3)CC2)ccc1[N+](=O)[O-] ZINC000475513124 514697201 /nfs/dbraw/zinc/69/72/01/514697201.db2.gz QWZZOPMWZPBXQZ-AWEZNQCLSA-N 1 0 351.472 2.869 20 5 FFBDRO Cc1cc(NCC[N@H+]2CCC[C@@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000489173400 514737561 /nfs/dbraw/zinc/73/75/61/514737561.db2.gz GKRWWRXAHHBGMH-CQSZACIVSA-N 1 0 355.442 2.926 20 5 FFBDRO Cc1cc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000489179376 514741131 /nfs/dbraw/zinc/74/11/31/514741131.db2.gz ZAEKPCMZZXICNV-NVXWUHKLSA-N 1 0 353.426 2.821 20 5 FFBDRO C[NH+](C)C[C@@H](NC(=O)NCCc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000484692274 514750276 /nfs/dbraw/zinc/75/02/76/514750276.db2.gz BCCKZEMCFSFGIR-GOSISDBHSA-N 1 0 374.416 2.879 20 5 FFBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000479937364 514783380 /nfs/dbraw/zinc/78/33/80/514783380.db2.gz CKDXNMBDWSRFLI-STQMWFEESA-N 1 0 369.849 2.816 20 5 FFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1F)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000471272441 514821532 /nfs/dbraw/zinc/82/15/32/514821532.db2.gz KAAZQAJZNGMMIU-INIZCTEOSA-N 1 0 371.412 2.915 20 5 FFBDRO CCC[N@H+](Cc1c([N+](=O)[O-])ncn1C)[C@H](C)CC(=O)Nc1ccccc1 ZINC000502954786 514857109 /nfs/dbraw/zinc/85/71/09/514857109.db2.gz HYWUNDRSVXUBIF-CQSZACIVSA-N 1 0 359.430 2.958 20 5 FFBDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000498362948 514881861 /nfs/dbraw/zinc/88/18/61/514881861.db2.gz HQTRDXIFFJZDIR-GDBMZVCRSA-N 1 0 373.409 2.868 20 5 FFBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000508776020 514890751 /nfs/dbraw/zinc/89/07/51/514890751.db2.gz WRTQEDKRWLTJSM-XQQFMLRXSA-N 1 0 359.430 2.567 20 5 FFBDRO CNc1nc(C(=O)Nc2cccc(CC[N@H+](C)C3CC3)c2)ccc1[N+](=O)[O-] ZINC000456000544 514896324 /nfs/dbraw/zinc/89/63/24/514896324.db2.gz SWDGGMAHYGMUDZ-UHFFFAOYSA-N 1 0 369.425 2.921 20 5 FFBDRO CCc1ccc(C(=O)N2CC[C@H](OCC[NH+](CC)CC)C2)cc1[N+](=O)[O-] ZINC000471540707 514922330 /nfs/dbraw/zinc/92/23/30/514922330.db2.gz VBWJBNSGEROCQS-KRWDZBQOSA-N 1 0 363.458 2.730 20 5 FFBDRO CC(C)[N@H+](C)CCCNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000480368550 514935111 /nfs/dbraw/zinc/93/51/11/514935111.db2.gz SBCKGBYGPPFAFF-UHFFFAOYSA-N 1 0 359.430 2.702 20 5 FFBDRO C[NH+](C)CCCC(C)(C)NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000456164129 514994336 /nfs/dbraw/zinc/99/43/36/514994336.db2.gz GWFYJSWEYCBHOH-UHFFFAOYSA-N 1 0 359.430 2.631 20 5 FFBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](CCSC)C(=O)N(C)C)cc1[N+](=O)[O-] ZINC000489911287 515028676 /nfs/dbraw/zinc/02/86/76/515028676.db2.gz ZNYRDGUYMVNBAB-JSGCOSHPSA-N 1 0 369.487 2.854 20 5 FFBDRO C[C@H](O)C[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)[C@H](C)C1 ZINC000485418758 515033736 /nfs/dbraw/zinc/03/37/36/515033736.db2.gz VQTYRDPKGVYNPA-KGLIPLIRSA-N 1 0 374.416 2.687 20 5 FFBDRO CC[C@@]1(C(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCC[NH2+]1 ZINC000467696041 515082450 /nfs/dbraw/zinc/08/24/50/515082450.db2.gz SVBCDFQNPXFPDF-HNNXBMFYSA-N 1 0 374.363 2.674 20 5 FFBDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000509354592 515139448 /nfs/dbraw/zinc/13/94/48/515139448.db2.gz KTCNFVBSCLQRKL-QGZVFWFLSA-N 1 0 356.426 2.953 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)c1C ZINC000480968227 515154626 /nfs/dbraw/zinc/15/46/26/515154626.db2.gz ZOTRPCKMLIREPC-OAHLLOKOSA-N 1 0 371.503 2.856 20 5 FFBDRO O=[N+]([O-])c1cc(C[N@H+](CCO)CC2CCCCC2)c2c(c1)COCO2 ZINC000485734545 515164832 /nfs/dbraw/zinc/16/48/32/515164832.db2.gz QFNDNZXSSURGTA-UHFFFAOYSA-N 1 0 350.415 2.836 20 5 FFBDRO Cc1c(NC(=O)[C@H](C)N2CC[C@H](C[N@H+](C)CC3CC3)C2)cccc1[N+](=O)[O-] ZINC000472460607 515277182 /nfs/dbraw/zinc/27/71/82/515277182.db2.gz DSOFNTWOFDWORE-DOTOQJQBSA-N 1 0 374.485 2.894 20 5 FFBDRO CNc1c(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000462927943 515302571 /nfs/dbraw/zinc/30/25/71/515302571.db2.gz UNSVPPZRCRUFLL-KRWDZBQOSA-N 1 0 356.426 2.978 20 5 FFBDRO O=C(CC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)NCc1ccccc1 ZINC000472629465 515343694 /nfs/dbraw/zinc/34/36/94/515343694.db2.gz LFIYEMMPEZRWDV-DLBZAZTESA-N 1 0 371.441 2.571 20 5 FFBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000468490455 515385916 /nfs/dbraw/zinc/38/59/16/515385916.db2.gz ZXTBTQNSHCLIJL-HNNXBMFYSA-N 1 0 374.445 2.528 20 5 FFBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000499724386 515428671 /nfs/dbraw/zinc/42/86/71/515428671.db2.gz RLDXMNBQZNKADM-INIZCTEOSA-N 1 0 371.441 2.775 20 5 FFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCC1CCS(=O)(=O)CC1 ZINC000468608482 515434343 /nfs/dbraw/zinc/43/43/43/515434343.db2.gz MWPXKWPKGYUHSM-KAMYIIQDSA-N 1 0 352.456 2.803 20 5 FFBDRO C[C@H](C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)[NH+]1CCCCCC1 ZINC000510180947 515460558 /nfs/dbraw/zinc/46/05/58/515460558.db2.gz NTLYGKREDCQHND-MRXNPFEDSA-N 1 0 360.458 2.508 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCC[NH+](C(C)C)C(C)C ZINC000481954246 515527445 /nfs/dbraw/zinc/52/74/45/515527445.db2.gz APTSDFDPCBWVLU-UHFFFAOYSA-N 1 0 357.476 2.609 20 5 FFBDRO CNc1nc(C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000454512879 515542379 /nfs/dbraw/zinc/54/23/79/515542379.db2.gz CXKYCLAHBBYAKB-MRXNPFEDSA-N 1 0 369.425 2.598 20 5 FFBDRO C[NH+](C)CCOc1ccccc1CNc1nc2sccn2c1[N+](=O)[O-] ZINC000477659531 515544696 /nfs/dbraw/zinc/54/46/96/515544696.db2.gz JOXUNDDKXUNYAM-UHFFFAOYSA-N 1 0 361.427 2.857 20 5 FFBDRO COc1cc(C[N@@H+]2CCC[C@@H](C)[C@H]2CO)c([N+](=O)[O-])cc1OCC(F)F ZINC000505569323 515588386 /nfs/dbraw/zinc/58/83/86/515588386.db2.gz UCMVHPLOLCDEDJ-BXUZGUMPSA-N 1 0 374.384 2.840 20 5 FFBDRO COc1cc(CN2CC[N@H+](C)[C@@H](C)[C@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000505592544 515600615 /nfs/dbraw/zinc/60/06/15/515600615.db2.gz TUGKJRPHZSOTBQ-NWDGAFQWSA-N 1 0 373.400 2.772 20 5 FFBDRO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000477955484 515651576 /nfs/dbraw/zinc/65/15/76/515651576.db2.gz NEPGTQLQKWFJTR-UHFFFAOYSA-N 1 0 372.469 2.801 20 5 FFBDRO COc1cc(C[NH2+]C[C@]2(C)CCCO2)c([N+](=O)[O-])cc1OCC(F)F ZINC000493687781 515655697 /nfs/dbraw/zinc/65/56/97/515655697.db2.gz NFKQGMRUEFQONN-INIZCTEOSA-N 1 0 360.357 2.906 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)C[C@@H]1C ZINC000493891583 515679081 /nfs/dbraw/zinc/67/90/81/515679081.db2.gz OEJLICDPQHHOSB-GJZGRUSLSA-N 1 0 369.487 2.705 20 5 FFBDRO CC(C)[NH+](CCN(C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000505868161 515704182 /nfs/dbraw/zinc/70/41/82/515704182.db2.gz GCVKBGDGQIKBKJ-UHFFFAOYSA-N 1 0 350.463 2.608 20 5 FFBDRO C[N@H+](CCCCNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)C1CC1 ZINC000457185986 515711364 /nfs/dbraw/zinc/71/13/64/515711364.db2.gz PTSZFANASCNORW-UHFFFAOYSA-N 1 0 374.485 2.802 20 5 FFBDRO CC(C)c1ccc(C[NH2+][C@H]2CCC[C@@H]2CNS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000500472101 515729749 /nfs/dbraw/zinc/72/97/49/515729749.db2.gz SGDGTQWIPACOCB-ZBFHGGJFSA-N 1 0 369.487 2.526 20 5 FFBDRO C[C@H]([NH2+]C1(CNC(=O)c2ccc([N+](=O)[O-])[nH]2)CCOCC1)c1ccccc1 ZINC000500481214 515732883 /nfs/dbraw/zinc/73/28/83/515732883.db2.gz UYDMBEHIKHAERM-AWEZNQCLSA-N 1 0 372.425 2.553 20 5 FFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCc1nnnn1-c1ccccc1 ZINC000510974931 515734075 /nfs/dbraw/zinc/73/40/75/515734075.db2.gz AEKIECDISSJJSU-HNNXBMFYSA-N 1 0 366.425 2.724 20 5 FFBDRO CC[NH+](CC)[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])s1)CC(C)C ZINC000469251787 515742388 /nfs/dbraw/zinc/74/23/88/515742388.db2.gz WSGVIVXKQPZOPL-LBPRGKRZSA-N 1 0 363.505 2.691 20 5 FFBDRO COC(=O)c1cnc(NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000478274479 515762082 /nfs/dbraw/zinc/76/20/82/515762082.db2.gz DGJMYILYRWIFRL-OKILXGFUSA-N 1 0 364.446 2.946 20 5 FFBDRO O=C(NCC[NH+]1CCCCC1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494198938 515762309 /nfs/dbraw/zinc/76/23/09/515762309.db2.gz RDJDYCMVNAYFLL-UHFFFAOYSA-N 1 0 374.363 2.899 20 5 FFBDRO CC(C)c1ccc(C(=O)NC[C@@]2([NH+](C)C)CCSC2)cc1[N+](=O)[O-] ZINC000473857879 515779753 /nfs/dbraw/zinc/77/97/53/515779753.db2.gz IDJWYOMGAJKRAE-KRWDZBQOSA-N 1 0 351.472 2.885 20 5 FFBDRO COc1cc(C[NH2+][C@@]2(C)CCO[C@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000494248396 515783236 /nfs/dbraw/zinc/78/32/36/515783236.db2.gz RGWFQDBPCDJNPY-QFYYESIMSA-N 1 0 360.357 2.904 20 5 FFBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C[C@@H](C)C1 ZINC000494386542 515826867 /nfs/dbraw/zinc/82/68/67/515826867.db2.gz NRJHDLZJNSYKCA-OZVIIMIRSA-N 1 0 350.394 2.928 20 5 FFBDRO O=C(c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000457366082 515831018 /nfs/dbraw/zinc/83/10/18/515831018.db2.gz COURCVCBYBJJQJ-OLZOCXBDSA-N 1 0 365.408 2.502 20 5 FFBDRO CCOc1cc(N2CC[NH+](C[C@H](O)CCC(C)C)CC2)ccc1[N+](=O)[O-] ZINC000482875792 515834396 /nfs/dbraw/zinc/83/43/96/515834396.db2.gz SNQMLFBXFQVXOV-QGZVFWFLSA-N 1 0 365.474 2.913 20 5 FFBDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2cc([N+](=O)[O-])n[nH]2)cc1 ZINC000506477131 515893314 /nfs/dbraw/zinc/89/33/14/515893314.db2.gz LZQULIUIHBDKSY-ZDUSSCGKSA-N 1 0 357.414 2.622 20 5 FFBDRO C[N@H+](CCN1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1)Cc1ccccc1 ZINC000511436601 515905033 /nfs/dbraw/zinc/90/50/33/515905033.db2.gz KMYSHQKKDLFVRL-UHFFFAOYSA-N 1 0 372.444 2.988 20 5 FFBDRO CCOCCC[N@@H+]1CC[C@H](NCc2ccc([N+](=O)[O-])c(OC)c2)[C@@H](C)C1 ZINC000469789548 515967395 /nfs/dbraw/zinc/96/73/95/515967395.db2.gz YUHBGXAFAWJMQL-RDJZCZTQSA-N 1 0 365.474 2.830 20 5 FFBDRO CO[C@]1(C)C[C@@H]([N@H+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1(C)C ZINC000464820544 515973137 /nfs/dbraw/zinc/97/31/37/515973137.db2.gz FQBZTXYZDQUHEH-VQIMIIECSA-N 1 0 361.442 2.619 20 5 FFBDRO C[NH+](C)C1CCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000501107810 515984995 /nfs/dbraw/zinc/98/49/95/515984995.db2.gz REHKYDNQUOPWII-UHFFFAOYSA-N 1 0 371.235 2.915 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+]C[C@]2(C)CCCS2)cc1[N+](=O)[O-] ZINC000474344944 516003881 /nfs/dbraw/zinc/00/38/81/516003881.db2.gz DVZXSHZLVOOIDS-INIZCTEOSA-N 1 0 354.428 2.522 20 5 FFBDRO O=[N+]([O-])c1cc(F)ccc1N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000511735326 516015586 /nfs/dbraw/zinc/01/55/86/516015586.db2.gz BVLYVVPAVPTGLC-UHFFFAOYSA-N 1 0 365.327 2.825 20 5 FFBDRO C[C@@H](CNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000487895221 516023973 /nfs/dbraw/zinc/02/39/73/516023973.db2.gz JXRWGBTUAAIPBI-NSHDSACASA-N 1 0 354.838 2.573 20 5 FFBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000507003302 516050288 /nfs/dbraw/zinc/05/02/88/516050288.db2.gz VRQGWRJIGPKUSX-XJKSGUPXSA-N 1 0 354.410 2.941 20 5 FFBDRO COC(=O)[C@@H]1CC[N@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[C@@H]1C ZINC000469995793 516067540 /nfs/dbraw/zinc/06/75/40/516067540.db2.gz FUGALENZDMSWKT-UHIISALHSA-N 1 0 360.370 2.589 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]Cc2ccc3occc3c2)cc1 ZINC000511906837 516076472 /nfs/dbraw/zinc/07/64/72/516076472.db2.gz KVBUQTLLYXULSQ-UHFFFAOYSA-N 1 0 360.391 2.905 20 5 FFBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000507283253 516155279 /nfs/dbraw/zinc/15/52/79/516155279.db2.gz UIRVHUMDEPEKHC-CYBMUJFWSA-N 1 0 369.487 2.692 20 5 FFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCN(CC[NH+]2CCCC2)CC1 ZINC000470170032 516157893 /nfs/dbraw/zinc/15/78/93/516157893.db2.gz NPOPRACWNHKVFO-OBGWFSINSA-N 1 0 358.486 2.712 20 5 FFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000470170583 516160786 /nfs/dbraw/zinc/16/07/86/516160786.db2.gz XLDKBAZJJWKQKN-XOQYZJNISA-N 1 0 373.453 2.569 20 5 FFBDRO CNC(=O)CCOC1CC[NH+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000470179929 516166272 /nfs/dbraw/zinc/16/62/72/516166272.db2.gz FNQBODOQZXODTE-QINSGFPZSA-N 1 0 361.442 2.615 20 5 FFBDRO Cc1nc2cc(F)c(F)cc2n1CC(=O)Nc1ccc([N+](=O)[O-])c(C)n1 ZINC000483827399 516222685 /nfs/dbraw/zinc/22/26/85/516222685.db2.gz ZXGDGRRFLXRYET-UHFFFAOYSA-N 1 0 361.308 2.873 20 5 FFBDRO C[C@]1(C(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCC[NH2+]C1 ZINC000496224129 516245952 /nfs/dbraw/zinc/24/59/52/516245952.db2.gz SECVFENRICOESX-HNNXBMFYSA-N 1 0 374.363 2.531 20 5 FFBDRO C[C@@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000531190286 516339099 /nfs/dbraw/zinc/33/90/99/516339099.db2.gz IUFZHTZZWFYYFE-JTQLQIEISA-N 1 0 356.220 2.571 20 5 FFBDRO O=[N+]([O-])c1cccc(N2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000550681065 516382629 /nfs/dbraw/zinc/38/26/29/516382629.db2.gz SUXVUJODGMNSLV-OAQYLSRUSA-N 1 0 366.465 2.991 20 5 FFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC1CCS(=O)(=O)CC1 ZINC000540149646 516458009 /nfs/dbraw/zinc/45/80/09/516458009.db2.gz VYQVIPDMCFJVQO-AWEZNQCLSA-N 1 0 372.512 2.880 20 5 FFBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1cccc(NS(C)(=O)=O)c1 ZINC000540149560 516458148 /nfs/dbraw/zinc/45/81/48/516458148.db2.gz RZFDRNBKKHTMKD-ZDUSSCGKSA-N 1 0 363.439 2.860 20 5 FFBDRO CC[NH+](CC)C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000523489881 516486107 /nfs/dbraw/zinc/48/61/07/516486107.db2.gz CNGTXGDJUBCAGA-SNVBAGLBSA-N 1 0 358.236 2.817 20 5 FFBDRO CN(C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000551014616 516523542 /nfs/dbraw/zinc/52/35/42/516523542.db2.gz OGJYCSYDNPHYFR-GFCCVEGCSA-N 1 0 357.332 2.922 20 5 FFBDRO CC[C@@H]([NH2+][C@@H]1CCCN(Cc2nccn2C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000544017195 516540219 /nfs/dbraw/zinc/54/02/19/516540219.db2.gz TWVNPONNMILBJW-IAGOWNOFSA-N 1 0 371.441 2.560 20 5 FFBDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C[C@@H](C)C1 ZINC000558022811 516555651 /nfs/dbraw/zinc/55/56/51/516555651.db2.gz JOASVHSDNGZAEJ-LXIYXOSZSA-N 1 0 356.426 2.878 20 5 FFBDRO C[C@@H](C[NH+](C)C)NC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000558025874 516559233 /nfs/dbraw/zinc/55/92/33/516559233.db2.gz MPATXPHQRDQASZ-AWEZNQCLSA-N 1 0 356.426 2.887 20 5 FFBDRO Cc1ncc2c(n1)CC[C@@H]([NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)C2 ZINC000531691216 516597640 /nfs/dbraw/zinc/59/76/40/516597640.db2.gz MNXWDGGCJFBVPM-BLLLJJGKSA-N 1 0 369.425 2.557 20 5 FFBDRO C[C@H]1CN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC[N@@H+](C2CCC2)C1 ZINC000561536044 516637800 /nfs/dbraw/zinc/63/78/00/516637800.db2.gz ROESXQGJHISUEN-OAHLLOKOSA-N 1 0 370.453 2.882 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)c1 ZINC000540689996 516669408 /nfs/dbraw/zinc/66/94/08/516669408.db2.gz IWTHSLXCPQOMBM-MRXNPFEDSA-N 1 0 361.442 2.805 20 5 FFBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000518462265 516670914 /nfs/dbraw/zinc/67/09/14/516670914.db2.gz XWTVORWYCAUNKQ-CABCVRRESA-N 1 0 371.441 2.631 20 5 FFBDRO CN(CC[NH+]1CCN(c2ccccc2)CC1)Cc1ccccc1[N+](=O)[O-] ZINC000524252726 516679719 /nfs/dbraw/zinc/67/97/19/516679719.db2.gz XXNHTBABQHWQGD-UHFFFAOYSA-N 1 0 354.454 2.849 20 5 FFBDRO COc1ccc(CC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000536262951 516700578 /nfs/dbraw/zinc/70/05/78/516700578.db2.gz JGHNCNIQONLFBD-UZLBHIALSA-N 1 0 369.421 2.708 20 5 FFBDRO Cc1ccc(C[N@H+](C)CCn2cc(Br)cn2)cc1[N+](=O)[O-] ZINC000558427760 516736111 /nfs/dbraw/zinc/73/61/11/516736111.db2.gz VJCHSGHOVMDVHI-UHFFFAOYSA-N 1 0 353.220 2.994 20 5 FFBDRO C[C@H](CNc1ncnc2cccc([N+](=O)[O-])c21)[N@H+](C)Cc1ccccc1 ZINC000544395652 516741685 /nfs/dbraw/zinc/74/16/85/516741685.db2.gz GXILYSQMTYGYGR-CQSZACIVSA-N 1 0 351.410 2.892 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C[C@H]1C ZINC000524617633 516770189 /nfs/dbraw/zinc/77/01/89/516770189.db2.gz BPSSAQRVMOCSSG-CABCVRRESA-N 1 0 371.441 2.725 20 5 FFBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000518883342 516807324 /nfs/dbraw/zinc/80/73/24/516807324.db2.gz FKDGRCLEWAVVKL-AAEUAGOBSA-N 1 0 355.822 2.616 20 5 FFBDRO C[C@H](CCc1ccccc1)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000544569247 516817744 /nfs/dbraw/zinc/81/77/44/516817744.db2.gz ILGREWMGNCSXFU-OAHLLOKOSA-N 1 0 362.451 2.979 20 5 FFBDRO C[C@@H]([NH2+]Cc1ccc(C(=O)N2CCOCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000532209333 516858814 /nfs/dbraw/zinc/85/88/14/516858814.db2.gz UOZBDCWOJYNGRP-OAHLLOKOSA-N 1 0 369.421 2.918 20 5 FFBDRO COc1ccc(NC(=O)NC2CCC(C[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000541100716 516875247 /nfs/dbraw/zinc/87/52/47/516875247.db2.gz IUNXDRXFJDRNNX-UHFFFAOYSA-N 1 0 350.419 2.845 20 5 FFBDRO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000514208514 516904270 /nfs/dbraw/zinc/90/42/70/516904270.db2.gz MSWZHLFAPCCUSS-LBPRGKRZSA-N 1 0 369.368 2.943 20 5 FFBDRO CC[C@@H](C)[N@H+](C)CCNc1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000562234658 516972459 /nfs/dbraw/zinc/97/24/59/516972459.db2.gz XYWDZGPBJIBBDW-OAHLLOKOSA-N 1 0 350.463 2.569 20 5 FFBDRO O=C(NC1CC1)N[C@@H]1CC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000544941322 516997217 /nfs/dbraw/zinc/99/72/17/516997217.db2.gz WGODUNJTQHQILG-OAHLLOKOSA-N 1 0 370.409 2.891 20 5 FFBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000514698762 517011072 /nfs/dbraw/zinc/01/10/72/517011072.db2.gz HPGYJHRYBPVKHW-ZDUSSCGKSA-N 1 0 352.435 2.523 20 5 FFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)c1 ZINC000514788781 517057505 /nfs/dbraw/zinc/05/75/05/517057505.db2.gz ZHSIORCNNQMGMW-JKSUJKDBSA-N 1 0 357.435 2.802 20 5 FFBDRO COc1cc(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)cc([N+](=O)[O-])c1OC ZINC000525560308 517076469 /nfs/dbraw/zinc/07/64/69/517076469.db2.gz NVINIKZMKHEPLM-STQMWFEESA-N 1 0 365.430 2.605 20 5 FFBDRO Cc1c(Br)cc(C(=O)N(C)CCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000537215616 517091462 /nfs/dbraw/zinc/09/14/62/517091462.db2.gz OEZWTPFWXGTNKY-UHFFFAOYSA-N 1 0 358.236 2.689 20 5 FFBDRO CC[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1CCOCC1 ZINC000537218318 517093998 /nfs/dbraw/zinc/09/39/98/517093998.db2.gz BZHSHWCETULLJS-ZDUSSCGKSA-N 1 0 355.822 2.982 20 5 FFBDRO COCC[NH+]1CCC(Nc2ncc([N+](=O)[O-])c(C)c2Br)CC1 ZINC000541576285 517121556 /nfs/dbraw/zinc/12/15/56/517121556.db2.gz CYHJKAVPMYWOPO-UHFFFAOYSA-N 1 0 373.251 2.583 20 5 FFBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000562477711 517134120 /nfs/dbraw/zinc/13/41/20/517134120.db2.gz NNGIJRPYYMMTJF-IVMMDQJWSA-N 1 0 357.414 2.874 20 5 FFBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC(C[NH+](C)C)CC1 ZINC000532922025 517204538 /nfs/dbraw/zinc/20/45/38/517204538.db2.gz ZBQDIFNKHDBHAE-LBPRGKRZSA-N 1 0 368.865 2.849 20 5 FFBDRO CCn1ccnc1[C@@H](C)NC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000562609844 517234421 /nfs/dbraw/zinc/23/44/21/517234421.db2.gz SEYXUVCPPGMMHW-GFCCVEGCSA-N 1 0 370.413 2.895 20 5 FFBDRO CC1(C)C[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]2CCC[C@H]21 ZINC000559424975 517248434 /nfs/dbraw/zinc/24/84/34/517248434.db2.gz FTPIHDLQBCLCLL-YPMHNXCESA-N 1 0 361.398 2.773 20 5 FFBDRO COc1ccc(CNC(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000520071509 517268213 /nfs/dbraw/zinc/26/82/13/517268213.db2.gz NZPOKKIKPXZOHH-CQSZACIVSA-N 1 0 364.446 2.523 20 5 FFBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[N@H+](C)C1CCCCC1 ZINC000520124032 517279646 /nfs/dbraw/zinc/27/96/46/517279646.db2.gz SKRKZADDEVWNOT-UHFFFAOYSA-N 1 0 369.487 2.700 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC[C@@H](c3cccc(F)c3)C2)c1 ZINC000552513151 517290415 /nfs/dbraw/zinc/29/04/15/517290415.db2.gz ILTQCICOILRBLE-CRAIPNDOSA-N 1 0 360.385 2.963 20 5 FFBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000515335786 517304166 /nfs/dbraw/zinc/30/41/66/517304166.db2.gz OCEWOJOQKMLFTK-BBRMVZONSA-N 1 0 367.421 2.601 20 5 FFBDRO C[C@H]1C[C@H](CCNC(=O)c2cc([N+](=O)[O-])cn2C)C[N@@H+]1Cc1ccccc1 ZINC000533114546 517304662 /nfs/dbraw/zinc/30/46/62/517304662.db2.gz YBEQVECVFSDZRX-RDJZCZTQSA-N 1 0 370.453 2.964 20 5 FFBDRO O=C(C[NH2+][C@@H](CO)C1CCCCC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000541980089 517320561 /nfs/dbraw/zinc/32/05/61/517320561.db2.gz BUEHTNUNXOIWFH-AWEZNQCLSA-N 1 0 355.822 2.718 20 5 FFBDRO CCc1ccc([C@@H](CO)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000541984154 517320967 /nfs/dbraw/zinc/32/09/67/517320967.db2.gz LHCFWMOKEKVROJ-GOSISDBHSA-N 1 0 357.410 2.727 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CCc1ccc2ccccc2n1 ZINC000515467067 517364118 /nfs/dbraw/zinc/36/41/18/517364118.db2.gz LSUOCPSDJVQMDK-KRWDZBQOSA-N 1 0 367.405 2.715 20 5 FFBDRO C[NH+]1CCC(CCNC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000515473909 517369095 /nfs/dbraw/zinc/36/90/95/517369095.db2.gz DNAQRFAGTQHETM-UHFFFAOYSA-N 1 0 373.457 2.650 20 5 FFBDRO CCc1ccc([C@@H](CNC(=O)c2c[nH]nc2[N+](=O)[O-])[NH+](CC)CC)cc1 ZINC000556321815 517369628 /nfs/dbraw/zinc/36/96/28/517369628.db2.gz IBSGQVKQUSLAJH-MRXNPFEDSA-N 1 0 359.430 2.693 20 5 FFBDRO C[C@@H]1C[C@@H]1N1C[C@H]([NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CC1=O ZINC000537983169 517424666 /nfs/dbraw/zinc/42/46/66/517424666.db2.gz AGUPIZKMOJNOCU-QNULQREKSA-N 1 0 357.454 2.905 20 5 FFBDRO COc1cc(OCC(=O)Nc2ccccc2C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000552924050 517444442 /nfs/dbraw/zinc/44/44/42/517444442.db2.gz YWACYGQSDZOMPB-UHFFFAOYSA-N 1 0 359.382 2.683 20 5 FFBDRO C[C@@H]1C[N@@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C[C@H](C)S1 ZINC000533428223 517459238 /nfs/dbraw/zinc/45/92/38/517459238.db2.gz HORTZZVBUADNPY-TXEJJXNPSA-N 1 0 351.428 2.719 20 5 FFBDRO C[NH+](C)[C@H](CNC(=O)CCNc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000515926343 517513028 /nfs/dbraw/zinc/51/30/28/517513028.db2.gz OICKAAGOAXAISQ-GOSISDBHSA-N 1 0 374.416 2.955 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCC2(C[NH+](C)C)CCCC2)c1C ZINC000546073987 517528886 /nfs/dbraw/zinc/52/88/86/517528886.db2.gz KOHHZOUOXUUNBR-UHFFFAOYSA-N 1 0 369.487 2.612 20 5 FFBDRO COc1ccc(C(C)(C)C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000562984655 517558027 /nfs/dbraw/zinc/55/80/27/517558027.db2.gz FCJGEMKIWWXJQC-INIZCTEOSA-N 1 0 374.437 2.911 20 5 FFBDRO CC(C)Oc1nc(N(CC[NH+](C)C)Cc2ccccn2)ccc1[N+](=O)[O-] ZINC000516088212 517560247 /nfs/dbraw/zinc/56/02/47/517560247.db2.gz JYDWWAHJXIHJSZ-UHFFFAOYSA-N 1 0 359.430 2.740 20 5 FFBDRO COc1ccc(O[C@@H](C)C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000562992994 517566092 /nfs/dbraw/zinc/56/60/92/517566092.db2.gz ZSRUVPZIODMWMB-AWEZNQCLSA-N 1 0 373.409 2.989 20 5 FFBDRO CCCC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000546176765 517583146 /nfs/dbraw/zinc/58/31/46/517583146.db2.gz QWUBAQNVVGQYDB-HNNXBMFYSA-N 1 0 355.460 2.528 20 5 FFBDRO CCOC(=O)c1ccc(N2CC([NH2+][C@@H](C)c3cccc([N+](=O)[O-])c3)C2)nc1 ZINC000542500562 517597720 /nfs/dbraw/zinc/59/77/20/517597720.db2.gz LMNFBUUWHGXYQU-ZDUSSCGKSA-N 1 0 370.409 2.706 20 5 FFBDRO Cc1nc2ccccc2n1C[C@@H]1CCC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000533760471 517601264 /nfs/dbraw/zinc/60/12/64/517601264.db2.gz BPBMHDHOTFOOSL-AWEZNQCLSA-N 1 0 354.414 2.651 20 5 FFBDRO O=C(C[NH2+]C1(C2CC2)CC1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000542520415 517609734 /nfs/dbraw/zinc/60/97/34/517609734.db2.gz DBUMWRCDXURFJY-UHFFFAOYSA-N 1 0 354.204 2.828 20 5 FFBDRO CN(C)c1nccc(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])n1 ZINC000538409841 517609713 /nfs/dbraw/zinc/60/97/13/517609713.db2.gz YWTVFSXTNICNCT-RHSMWYFYSA-N 1 0 355.442 2.952 20 5 FFBDRO Cc1cc(N2C[C@H](N3CCOCC3)C[C@H]2C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000553264228 517611776 /nfs/dbraw/zinc/61/17/76/517611776.db2.gz ILTWQBYCSMPYHP-GDBMZVCRSA-N 1 0 356.426 2.751 20 5 FFBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000542654159 517671524 /nfs/dbraw/zinc/67/15/24/517671524.db2.gz UPFAGGYLRVGRBS-NSHDSACASA-N 1 0 357.357 2.658 20 5 FFBDRO Cc1ccc2c(c1)[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000542666481 517678541 /nfs/dbraw/zinc/67/85/41/517678541.db2.gz QZWSMIXLZGSJEM-GOSISDBHSA-N 1 0 360.435 2.954 20 5 FFBDRO C[C@H]1C[C@H](N(C)C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1C ZINC000546540141 517716252 /nfs/dbraw/zinc/71/62/52/517716252.db2.gz SRKHJYDXAPSIHT-QWHCGFSZSA-N 1 0 351.422 2.953 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000549813500 517723002 /nfs/dbraw/zinc/72/30/02/517723002.db2.gz OZIGVOJUDQLXLP-CABCVRRESA-N 1 0 360.385 2.963 20 5 FFBDRO CC(C)[N@H+](C)CC1CCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC1 ZINC000538711025 517739318 /nfs/dbraw/zinc/73/93/18/517739318.db2.gz NFGXIZRGIHAHGO-UHFFFAOYSA-N 1 0 363.414 2.516 20 5 FFBDRO CN(C)C1(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCCCCC1 ZINC000560393180 517764086 /nfs/dbraw/zinc/76/40/86/517764086.db2.gz PISXOQPNMDVCDZ-KRWDZBQOSA-N 1 0 365.474 2.579 20 5 FFBDRO COc1cc(C[NH2+]C[C@]2(O)CCC[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000556958061 517773908 /nfs/dbraw/zinc/77/39/08/517773908.db2.gz CAGVBDKRAXSXJI-APPDUMDISA-N 1 0 374.384 2.888 20 5 FFBDRO CCC1(C[NH+]2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)CCOCC1 ZINC000556962508 517778361 /nfs/dbraw/zinc/77/83/61/517778361.db2.gz UUNPBBWLNZPQAG-UHFFFAOYSA-N 1 0 361.442 2.559 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])c(N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)n1 ZINC000542865477 517789038 /nfs/dbraw/zinc/78/90/38/517789038.db2.gz ICQMSEWEQUFNEW-ZWKOTPCHSA-N 1 0 370.453 2.902 20 5 FFBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCCCC[NH+]1CCCC1 ZINC000557011359 517803689 /nfs/dbraw/zinc/80/36/89/517803689.db2.gz ZCHDBXRMGKEBIW-UHFFFAOYSA-N 1 0 369.487 2.702 20 5 FFBDRO Cc1ccnc(N(C)CCN2CC[NH+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000553602475 517803860 /nfs/dbraw/zinc/80/38/60/517803860.db2.gz XKXKRWKPIPHOHA-UHFFFAOYSA-N 1 0 369.469 2.552 20 5 FFBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H](CO)c2ccccc2C)c([N+](=O)[O-])c1 ZINC000542909607 517807719 /nfs/dbraw/zinc/80/77/19/517807719.db2.gz ASCBCBYJEYZQCZ-KRWDZBQOSA-N 1 0 373.409 2.564 20 5 FFBDRO C[NH+]1CCN(C[C@H](Nc2ncc([N+](=O)[O-])cc2F)c2ccccc2)CC1 ZINC000563312082 517812958 /nfs/dbraw/zinc/81/29/58/517812958.db2.gz TVFGGMRFEQNWRM-KRWDZBQOSA-N 1 0 359.405 2.530 20 5 FFBDRO CCOc1cc(N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)ccc1[N+](=O)[O-] ZINC000538937460 517853702 /nfs/dbraw/zinc/85/37/02/517853702.db2.gz IQFLLROWCMTRFT-QGZVFWFLSA-N 1 0 362.474 2.598 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]Cc2ccc(OC(F)F)cc2)c1 ZINC000550085742 517855374 /nfs/dbraw/zinc/85/53/74/517855374.db2.gz NRYQLLAWLOPYFO-AWEZNQCLSA-N 1 0 368.336 2.726 20 5 FFBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C1 ZINC000521860100 517877112 /nfs/dbraw/zinc/87/71/12/517877112.db2.gz UCRLKADZJXYCBY-GWCFXTLKSA-N 1 0 371.387 2.817 20 5 FFBDRO CNc1ccc(C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000530654476 517903206 /nfs/dbraw/zinc/90/32/06/517903206.db2.gz AYLMTFNFKUUADF-UHFFFAOYSA-N 1 0 360.389 2.637 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)c1 ZINC000553812831 517917160 /nfs/dbraw/zinc/91/71/60/517917160.db2.gz AKTOAQGFNKMENA-JKSUJKDBSA-N 1 0 363.458 2.909 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@H](COc2ccccc2)C1 ZINC000543185951 517954761 /nfs/dbraw/zinc/95/47/61/517954761.db2.gz BKOBWQLZFRATCT-DLBZAZTESA-N 1 0 372.421 2.735 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@H]3CCCS(=O)(=O)C3)o2)c1 ZINC000530780224 517974330 /nfs/dbraw/zinc/97/43/30/517974330.db2.gz PKWVWORWNHURCT-ZDUSSCGKSA-N 1 0 350.396 2.522 20 5 FFBDRO O=c1[nH]c2ccccc2cc1C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000522097638 517983583 /nfs/dbraw/zinc/98/35/83/517983583.db2.gz OYFJQCKMTLIPBK-UHFFFAOYSA-N 1 0 365.393 2.566 20 5 FFBDRO COc1ccc(Cc2nc(CC34CCC[NH+]3CCC4)no2)cc1[N+](=O)[O-] ZINC000563679232 518063148 /nfs/dbraw/zinc/06/31/48/518063148.db2.gz NAIRLLNHYQEXQA-UHFFFAOYSA-N 1 0 358.398 2.748 20 5 FFBDRO O=C(CC[NH2+]CCSCC(F)(F)F)Nc1ccccc1[N+](=O)[O-] ZINC000563710147 518083331 /nfs/dbraw/zinc/08/33/31/518083331.db2.gz VONTYUZZABJTSL-UHFFFAOYSA-N 1 0 351.350 2.809 20 5 FFBDRO CCc1ccc([C@H](CNC(=O)Cn2ccc([N+](=O)[O-])n2)[NH+](CC)CC)cc1 ZINC000554220378 518110373 /nfs/dbraw/zinc/11/03/73/518110373.db2.gz QCRGIMDOIKHCBY-KRWDZBQOSA-N 1 0 373.457 2.553 20 5 FFBDRO COc1cccc([C@@H]2[C@H](Nc3c([N+](=O)[O-])ncn3C)CC[N@@H+]2C2CC2)c1 ZINC000539773765 518158524 /nfs/dbraw/zinc/15/85/24/518158524.db2.gz FQQHDPKXLWZVBG-HZPDHXFCSA-N 1 0 357.414 2.727 20 5 FFBDRO COc1ccc(C(=O)N[C@H](C[NH+](C)C)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000569613128 518206949 /nfs/dbraw/zinc/20/69/49/518206949.db2.gz CLOMIUKSSXGAMO-OAHLLOKOSA-N 1 0 361.373 2.775 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CCc1cccc2[nH]ccc21 ZINC000581305976 518222596 /nfs/dbraw/zinc/22/25/96/518222596.db2.gz HIKQBNXQXVGCQC-OAHLLOKOSA-N 1 0 355.394 2.648 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000564132036 518317858 /nfs/dbraw/zinc/31/78/58/518317858.db2.gz ZMKUHRGIMXWUFE-UZLBHIALSA-N 1 0 368.437 2.877 20 5 FFBDRO COc1cc(OC)c(OC)cc1CN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000581575400 518351486 /nfs/dbraw/zinc/35/14/86/518351486.db2.gz OHCQLKBMLNYOEV-UHFFFAOYSA-N 1 0 361.398 2.586 20 5 FFBDRO Cc1cccc(O[C@H](C)C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000575981317 518371094 /nfs/dbraw/zinc/37/10/94/518371094.db2.gz GJJNSDFJMJQMTG-WBVHZDCISA-N 1 0 360.410 2.700 20 5 FFBDRO Cc1cccc(OC[C@H](C)[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000584524917 518383694 /nfs/dbraw/zinc/38/36/94/518383694.db2.gz NCDORYRLFLDHHC-JKSUJKDBSA-N 1 0 360.410 2.700 20 5 FFBDRO O=C(c1cc([N+](=O)[O-])c[nH]1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000584562103 518397574 /nfs/dbraw/zinc/39/75/74/518397574.db2.gz RKNSBGCRMIRDJD-JKSUJKDBSA-N 1 0 354.410 2.517 20 5 FFBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@H]1C ZINC000567207135 518404617 /nfs/dbraw/zinc/40/46/17/518404617.db2.gz GWXOAQIESFZKPX-ZIAGYGMSSA-N 1 0 373.457 2.743 20 5 FFBDRO COC(=O)c1cc(C)nc(NC2CC[NH+](CC(C)C)CC2)c1[N+](=O)[O-] ZINC000581740055 518433632 /nfs/dbraw/zinc/43/36/32/518433632.db2.gz GRMVJINNKMRSIR-UHFFFAOYSA-N 1 0 350.419 2.617 20 5 FFBDRO C[N@@H+]1CCO[C@@H]2CCN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)C[C@@H]21 ZINC000584710850 518440807 /nfs/dbraw/zinc/44/08/07/518440807.db2.gz KKIRLDYOSJRPIG-DLBZAZTESA-N 1 0 354.410 2.566 20 5 FFBDRO C[C@@H](CCc1ccc(O)cc1)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000584775890 518472640 /nfs/dbraw/zinc/47/26/40/518472640.db2.gz VZQCEQMPLUCONS-YOEHRIQHSA-N 1 0 360.410 2.651 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CCc1cccc(Cl)c1 ZINC000573083715 518499639 /nfs/dbraw/zinc/49/96/39/518499639.db2.gz DOAGGLAOWOQGTF-OAHLLOKOSA-N 1 0 350.802 2.820 20 5 FFBDRO CNC(=O)COc1cccc(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000582019119 518548730 /nfs/dbraw/zinc/54/87/30/518548730.db2.gz ZOPNPZQHBXLZEF-LJQANCHMSA-N 1 0 369.421 2.887 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC2CC[NH+](CCOC(C)C)CC2)c1 ZINC000582082370 518580012 /nfs/dbraw/zinc/58/00/12/518580012.db2.gz HZHIVZAMMLYGIC-UHFFFAOYSA-N 1 0 365.430 2.683 20 5 FFBDRO CC[NH+]1C[C@@H](C)N(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000564753684 518597940 /nfs/dbraw/zinc/59/79/40/518597940.db2.gz GDFJLMDWBDALBV-GHMZBOCLSA-N 1 0 370.247 2.912 20 5 FFBDRO CCC[C@H]([NH2+]C[C@@H]1CCCCN1S(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000579264494 518599136 /nfs/dbraw/zinc/59/91/36/518599136.db2.gz STGHUENZEXIEOM-IRXDYDNUSA-N 1 0 369.487 2.840 20 5 FFBDRO COc1cccc(N2C[C@H]([NH2+][C@@H]3CCc4c3cccc4[N+](=O)[O-])CC2=O)c1 ZINC000576480645 518613678 /nfs/dbraw/zinc/61/36/78/518613678.db2.gz ZIIILYSTCKNVTD-FZKQIMNGSA-N 1 0 367.405 2.986 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CCc3c2ccc(Cl)c3Cl)c1 ZINC000576512258 518628222 /nfs/dbraw/zinc/62/82/22/518628222.db2.gz RYAXMVGIGLPXLI-QMTHXVAHSA-N 1 0 371.224 2.736 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)NC[C@@]3(C)CCC[NH2+]C3)cc2[N+](=O)[O-])C1 ZINC000564836745 518642653 /nfs/dbraw/zinc/64/26/53/518642653.db2.gz IUIKVQVDDWGWDZ-QRWLVFNGSA-N 1 0 374.485 2.951 20 5 FFBDRO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000564839216 518643087 /nfs/dbraw/zinc/64/30/87/518643087.db2.gz FMNWXCMZBQWUQZ-OAHLLOKOSA-N 1 0 368.231 2.573 20 5 FFBDRO Cc1cn2c(n1)[C@@H](C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])CCC2 ZINC000564851854 518653520 /nfs/dbraw/zinc/65/35/20/518653520.db2.gz GQDHTBCWSVPXMB-CQSZACIVSA-N 1 0 357.414 2.596 20 5 FFBDRO CC(C)[NH2+]CCC(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000567747820 518689899 /nfs/dbraw/zinc/68/98/99/518689899.db2.gz YUPSNHLBJXPQPD-UHFFFAOYSA-N 1 0 362.352 2.530 20 5 FFBDRO CC(C)[NH+]1CCN(C2CCN(c3c(F)cccc3[N+](=O)[O-])CC2)CC1 ZINC000588008526 518699206 /nfs/dbraw/zinc/69/92/06/518699206.db2.gz QHJOKXALRCILEM-UHFFFAOYSA-N 1 0 350.438 2.729 20 5 FFBDRO COc1ccccc1[C@]1(C)C[C@@H]1[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000582481636 518774328 /nfs/dbraw/zinc/77/43/28/518774328.db2.gz BZCOKJMRTRCOAF-UAOJZALGSA-N 1 0 372.421 2.663 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000588771280 518825643 /nfs/dbraw/zinc/82/56/43/518825643.db2.gz QVYRHTPJOAYVRA-KSSFIOAISA-N 1 0 369.421 2.996 20 5 FFBDRO CCOc1ccc(C(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000582623515 518843705 /nfs/dbraw/zinc/84/37/05/518843705.db2.gz JTOHZOALBUMQFW-AWEZNQCLSA-N 1 0 361.442 2.940 20 5 FFBDRO CN(C(=O)C1CC[NH+](Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])nc1 ZINC000588984667 518888884 /nfs/dbraw/zinc/88/88/84/518888884.db2.gz LWWXDBBHDAQFTG-UHFFFAOYSA-N 1 0 354.410 2.865 20 5 FFBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000582774889 518914963 /nfs/dbraw/zinc/91/49/63/518914963.db2.gz GIJHWFDBUPIMSA-KRWDZBQOSA-N 1 0 366.849 2.576 20 5 FFBDRO COC(=O)COc1ccc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000589183724 518944667 /nfs/dbraw/zinc/94/46/67/518944667.db2.gz JWFYYHPZVOMDRI-UHFFFAOYSA-N 1 0 358.394 2.821 20 5 FFBDRO COc1cccc(-c2n[nH]cc2CN(CC[NH3+])c2ccccc2[N+](=O)[O-])c1 ZINC000589190892 518945939 /nfs/dbraw/zinc/94/59/39/518945939.db2.gz SMTSKCRGUHKRRS-UHFFFAOYSA-N 1 0 367.409 2.959 20 5 FFBDRO CCOC(=O)c1cc(C(=O)Nc2ccc3c(c2)C[NH2+]CC3)cc([N+](=O)[O-])c1 ZINC000571162686 518957397 /nfs/dbraw/zinc/95/73/97/518957397.db2.gz DJXVYUHXQHETGB-UHFFFAOYSA-N 1 0 369.377 2.670 20 5 FFBDRO CC(C)N(C)c1ccccc1C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000571199071 518974902 /nfs/dbraw/zinc/97/49/02/518974902.db2.gz PIKFDWKGJXVTGI-QGZVFWFLSA-N 1 0 373.453 2.969 20 5 FFBDRO O=C(Nc1cccc2c1CC[NH2+]C2)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000568369972 519006639 /nfs/dbraw/zinc/00/66/39/519006639.db2.gz LWKHRFRFSXSESR-UHFFFAOYSA-N 1 0 368.393 2.667 20 5 FFBDRO CC[NH+](CC)[C@@H](c1nc(-c2c([N+](=O)[O-])ncn2C)no1)c1ccccc1 ZINC000580126486 519017603 /nfs/dbraw/zinc/01/76/03/519017603.db2.gz GVIRMBUQIMSUEZ-CYBMUJFWSA-N 1 0 356.386 2.810 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[NH+](CCC(C)(C)C)CC2)c1 ZINC000589497206 519018535 /nfs/dbraw/zinc/01/85/35/519018535.db2.gz HHRGPAXNDZICMJ-UHFFFAOYSA-N 1 0 363.458 2.935 20 5 FFBDRO O=[N+]([O-])c1ccccc1CC[NH2+]C[C@H](O)COc1cccc2[nH]ccc21 ZINC000577387058 519055730 /nfs/dbraw/zinc/05/57/30/519055730.db2.gz ZYBZQPNZXZYKHR-HNNXBMFYSA-N 1 0 355.394 2.648 20 5 FFBDRO C[NH+](C)CCN(Cc1cc([N+](=O)[O-])ccc1OC(F)F)C[C@H]1CCCO1 ZINC000577442865 519079186 /nfs/dbraw/zinc/07/91/86/519079186.db2.gz FTCMYZYAECYFSI-OAHLLOKOSA-N 1 0 373.400 2.739 20 5 FFBDRO CC(C)([NH2+]Cc1cccc(NS(C)(=O)=O)c1)c1ccccc1[N+](=O)[O-] ZINC000589938018 519107514 /nfs/dbraw/zinc/10/75/14/519107514.db2.gz MYHUNDAXPYPGMZ-UHFFFAOYSA-N 1 0 363.439 2.991 20 5 FFBDRO CCCC[N@@H+]1CCCC[C@@H]1CNc1nc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000580357290 519133698 /nfs/dbraw/zinc/13/36/98/519133698.db2.gz AFBYDKFLYDXCEQ-CYBMUJFWSA-N 1 0 350.419 2.843 20 5 FFBDRO C[N@@H+]1CCC[C@@]2(CCN(c3c(Br)cncc3[N+](=O)[O-])C2)C1 ZINC000590141902 519159655 /nfs/dbraw/zinc/15/96/55/519159655.db2.gz HLTHUOCHUXTVGM-CQSZACIVSA-N 1 0 355.236 2.674 20 5 FFBDRO CN(C)CC[N@H+](C)CCCNc1ccc(Br)cc1[N+](=O)[O-] ZINC000568794411 519216800 /nfs/dbraw/zinc/21/68/00/519216800.db2.gz NWNRDXUPYSNLCP-UHFFFAOYSA-N 1 0 359.268 2.653 20 5 FFBDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000590456711 519237797 /nfs/dbraw/zinc/23/77/97/519237797.db2.gz GLTOGPWGMNMRGS-MPGHIAIKSA-N 1 0 360.458 2.586 20 5 FFBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000590456709 519237859 /nfs/dbraw/zinc/23/78/59/519237859.db2.gz GLTOGPWGMNMRGS-DAYGRLMNSA-N 1 0 360.458 2.586 20 5 FFBDRO Cc1cccc2c(CC[NH2+]C[C@H](O)COc3cccc([N+](=O)[O-])c3)c[nH]c21 ZINC000583494854 519278431 /nfs/dbraw/zinc/27/84/31/519278431.db2.gz HQXJTEWYDKZDKF-KRWDZBQOSA-N 1 0 369.421 2.957 20 5 FFBDRO C[C@@H](CCc1ccc(O)cc1)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000577859870 519295937 /nfs/dbraw/zinc/29/59/37/519295937.db2.gz KRSSNYYRDFCTDU-KSSFIOAISA-N 1 0 360.410 2.651 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@H]1CSc2ccccc21 ZINC000566120218 519314250 /nfs/dbraw/zinc/31/42/50/519314250.db2.gz MXHOPSRWZMDNOV-UONOGXRCSA-N 1 0 360.435 2.814 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1C[C@H]1c1c(F)cccc1F ZINC000571875178 519321743 /nfs/dbraw/zinc/32/17/43/519321743.db2.gz YCUPJTCYZWCVMG-LALPHHSUSA-N 1 0 364.348 2.758 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)C[N@H+](C)C(C)C)cc1SC ZINC000577993116 519360787 /nfs/dbraw/zinc/36/07/87/519360787.db2.gz OWMVOLVGGODHPK-NSHDSACASA-N 1 0 355.460 2.784 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]Cc1ccccc1OC(F)F ZINC000578044804 519388630 /nfs/dbraw/zinc/38/86/30/519388630.db2.gz TXRVGQDIHFYXII-ZDUSSCGKSA-N 1 0 368.336 2.726 20 5 FFBDRO COc1ccc2c(c1)CCC[C@@H]2[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000572022895 519403477 /nfs/dbraw/zinc/40/34/77/519403477.db2.gz ACAVIRGYTQTKEJ-SFHVURJKSA-N 1 0 357.410 2.775 20 5 FFBDRO Cc1c(C(=O)N(C)CCC[N@H+](C)Cc2ccncc2)cccc1[N+](=O)[O-] ZINC000574933030 519411907 /nfs/dbraw/zinc/41/19/07/519411907.db2.gz YMOSYUCWNZUIED-UHFFFAOYSA-N 1 0 356.426 2.892 20 5 FFBDRO CN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C1CC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000580899203 519416218 /nfs/dbraw/zinc/41/62/18/519416218.db2.gz YYUPMAPCIXPLLM-KRWDZBQOSA-N 1 0 368.441 2.861 20 5 FFBDRO Cn1cc(CN2CCO[C@]3(CCSC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000578132954 519435739 /nfs/dbraw/zinc/43/57/39/519435739.db2.gz LHNNPIWMLZGQKK-GOSISDBHSA-N 1 0 374.466 2.703 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CC[C@H]2CCc3ccccc3N2)c1 ZINC000569214046 519437893 /nfs/dbraw/zinc/43/78/93/519437893.db2.gz LQBHCWABANCJJR-SJLPKXTDSA-N 1 0 371.437 2.741 20 5 FFBDRO C[NH+](C)Cc1cc(CNC(=O)CCNc2ccccc2[N+](=O)[O-])ccc1F ZINC000580972544 519454424 /nfs/dbraw/zinc/45/44/24/519454424.db2.gz USBHBOOCSDMJRE-UHFFFAOYSA-N 1 0 374.416 2.914 20 5 FFBDRO C[N@@H+]1CCN(CCOc2cccc([N+](=O)[O-])c2)C[C@H]1Cc1ccccc1 ZINC000566564339 519554465 /nfs/dbraw/zinc/55/44/65/519554465.db2.gz OPFOFJRQQRLBIO-LJQANCHMSA-N 1 0 355.438 2.832 20 5 FFBDRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000566614945 519578913 /nfs/dbraw/zinc/57/89/13/519578913.db2.gz AQMKABJNJHMFHH-BXKDBHETSA-N 1 0 356.220 2.699 20 5 FFBDRO CC[C@H]1CN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000591306379 519582481 /nfs/dbraw/zinc/58/24/81/519582481.db2.gz BDHDAGHIKHRVJH-ZANVPECISA-N 1 0 371.235 2.948 20 5 FFBDRO O=C(Nc1cnc2c(c1)C[NH2+]CC2)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000591310919 519586113 /nfs/dbraw/zinc/58/61/13/519586113.db2.gz QVPTUHJSGONJCN-UHFFFAOYSA-N 1 0 367.409 2.832 20 5 FFBDRO Cc1ccc([C@@H](C)NC(=O)Nc2cnc3c(c2)C[NH2+]CC3)cc1[N+](=O)[O-] ZINC000591310733 519586282 /nfs/dbraw/zinc/58/62/82/519586282.db2.gz GSPPBFJHGWQNLF-GFCCVEGCSA-N 1 0 355.398 2.827 20 5 FFBDRO Cn1ccnc1[C@@H](NCCC1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000566753529 519630623 /nfs/dbraw/zinc/63/06/23/519630623.db2.gz FVTIYSUJXZQHIF-SFHVURJKSA-N 1 0 357.458 2.739 20 5 FFBDRO Cn1ccnc1[C@H](NCCC1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000566753528 519630903 /nfs/dbraw/zinc/63/09/03/519630903.db2.gz FVTIYSUJXZQHIF-GOSISDBHSA-N 1 0 357.458 2.739 20 5 FFBDRO Cc1c(Br)c(Nc2cnn(CC[NH+](C)C)c2)ncc1[N+](=O)[O-] ZINC000612442119 519961696 /nfs/dbraw/zinc/96/16/96/519961696.db2.gz INBMHRYYZRWDPV-UHFFFAOYSA-N 1 0 369.223 2.562 20 5 FFBDRO O=[N+]([O-])c1cccc2ncnc(NC3CC[NH+]([C@@H]4CCCC[C@H]4O)CC3)c21 ZINC000612449767 519966853 /nfs/dbraw/zinc/96/68/53/519966853.db2.gz SNNNMKRMQLMYRO-NVXWUHKLSA-N 1 0 371.441 2.718 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000602917409 519970666 /nfs/dbraw/zinc/97/06/66/519970666.db2.gz ALHAUOOFYJJGMR-ZBFHGGJFSA-N 1 0 350.806 2.873 20 5 FFBDRO Cc1cc(S(=O)(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c(C)cc1[N+](=O)[O-] ZINC000594483697 519991959 /nfs/dbraw/zinc/99/19/59/519991959.db2.gz NZNCHLLGFQMLII-HUUCEWRRSA-N 1 0 367.471 2.507 20 5 FFBDRO C[C@@H]1CCCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])[C@H]1C[NH3+] ZINC000591676392 519994865 /nfs/dbraw/zinc/99/48/65/519994865.db2.gz PGIGJKWUXYGWHX-RNCFNFMXSA-N 1 0 356.220 2.557 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594484875 519995689 /nfs/dbraw/zinc/99/56/89/519995689.db2.gz WLDZUALZSZYCNI-STQMWFEESA-N 1 0 373.862 2.543 20 5 FFBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1CC12CC[NH2+]CC2 ZINC000591685507 519998112 /nfs/dbraw/zinc/99/81/12/519998112.db2.gz FIOJDXPQKRLHIK-CYBMUJFWSA-N 1 0 355.847 2.599 20 5 FFBDRO O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000600008439 519999868 /nfs/dbraw/zinc/99/98/68/519999868.db2.gz PJXFXSSKZWDNNE-UHFFFAOYSA-N 1 0 367.833 2.575 20 5 FFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H](C)C(=O)OC(C)(C)C ZINC000594512980 520009536 /nfs/dbraw/zinc/00/95/36/520009536.db2.gz KAYONHVHNZRQJA-QWHCGFSZSA-N 1 0 365.430 2.879 20 5 FFBDRO C[C@@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1nc2ccccc2[nH]1 ZINC000591723899 520012030 /nfs/dbraw/zinc/01/20/30/520012030.db2.gz PNLVQJYHZZCPGO-OLZOCXBDSA-N 1 0 356.382 2.562 20 5 FFBDRO COc1cccc2c1OC[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000591733857 520016417 /nfs/dbraw/zinc/01/64/17/520016417.db2.gz VVUBNOFQDRGOOI-CQSZACIVSA-N 1 0 371.393 2.525 20 5 FFBDRO Cc1cccc2[nH]cc(CC[NH2+]C[C@H](O)COc3cccc([N+](=O)[O-])c3)c21 ZINC000591733813 520016666 /nfs/dbraw/zinc/01/66/66/520016666.db2.gz OVFYHIYKNJVQAQ-KRWDZBQOSA-N 1 0 369.421 2.957 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCCc2ccc(Cl)cc2Cl)c1 ZINC000591748310 520020823 /nfs/dbraw/zinc/02/08/23/520020823.db2.gz KZKPPXDLAAEYDG-CQSZACIVSA-N 1 0 373.240 2.681 20 5 FFBDRO Cc1cccc(CC2C[NH+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)c1 ZINC000612677950 520086087 /nfs/dbraw/zinc/08/60/87/520086087.db2.gz MRCCPKFKCDRNTE-LJQANCHMSA-N 1 0 356.422 2.817 20 5 FFBDRO CN(c1ccccc1)c1ccc(C[N@H+](C)[C@]2(CO)CCOC2)cc1[N+](=O)[O-] ZINC000600179515 520105088 /nfs/dbraw/zinc/10/50/88/520105088.db2.gz YVOGOLNGECVGCY-FQEVSTJZSA-N 1 0 371.437 2.946 20 5 FFBDRO CC[C@H]1C[N@H+](C)CCCN1C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000597605702 520131998 /nfs/dbraw/zinc/13/19/98/520131998.db2.gz SAGQLQMGLWTENS-LBPRGKRZSA-N 1 0 357.357 2.753 20 5 FFBDRO O=C(CCNc1ccccc1[N+](=O)[O-])NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000600229408 520140686 /nfs/dbraw/zinc/14/06/86/520140686.db2.gz ROFTXYCIJYHAAF-INIZCTEOSA-N 1 0 360.458 2.920 20 5 FFBDRO Cc1cc(OCC(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)ccc1[N+](=O)[O-] ZINC000600230519 520141282 /nfs/dbraw/zinc/14/12/82/520141282.db2.gz SYJKABQTDKJHJP-INIZCTEOSA-N 1 0 361.442 2.805 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1C ZINC000594788952 520158486 /nfs/dbraw/zinc/15/84/86/520158486.db2.gz INZKRDIATRFDKZ-AWEZNQCLSA-N 1 0 369.487 2.610 20 5 FFBDRO COc1ccc(CC(=O)N2CCC([NH+]3CCCCC3)CC2)cc1[N+](=O)[O-] ZINC000609016564 520179269 /nfs/dbraw/zinc/17/92/69/520179269.db2.gz NYBQHUGPWBYSLS-UHFFFAOYSA-N 1 0 361.442 2.623 20 5 FFBDRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)C2 ZINC000597709984 520190706 /nfs/dbraw/zinc/19/07/06/520190706.db2.gz FQCLIXFMUBGSCH-QGZVFWFLSA-N 1 0 369.368 2.754 20 5 FFBDRO Cc1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000594854455 520191207 /nfs/dbraw/zinc/19/12/07/520191207.db2.gz LGSIZZJMXMHDAO-CQSZACIVSA-N 1 0 367.471 2.589 20 5 FFBDRO C[NH+](C)CCN(CC1CCCCC1)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000609166773 520217537 /nfs/dbraw/zinc/21/75/37/520217537.db2.gz LIHOFYNMMFQBMV-UHFFFAOYSA-N 1 0 363.458 2.944 20 5 FFBDRO CC(C)[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000592153989 520228801 /nfs/dbraw/zinc/22/88/01/520228801.db2.gz FBHJZXRZVOHXPQ-SFHVURJKSA-N 1 0 357.458 2.776 20 5 FFBDRO C[C@H]1COCC[N@@H+]1C1CCN(c2ccc([N+](=O)[O-])c3cccnc32)CC1 ZINC000603402070 520249196 /nfs/dbraw/zinc/24/91/96/520249196.db2.gz MBUURZSCLHIECJ-AWEZNQCLSA-N 1 0 356.426 2.833 20 5 FFBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]C[C@H]1CCN1Cc1ccccc1)OCCO2 ZINC000594998941 520250087 /nfs/dbraw/zinc/25/00/87/520250087.db2.gz MLSGKUPOKPZIBG-QGZVFWFLSA-N 1 0 369.421 2.730 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCO[C@@H](c2ccnn2C)C1 ZINC000595051833 520270379 /nfs/dbraw/zinc/27/03/79/520270379.db2.gz OSKVDYQBJCTULI-VEVIJQCQSA-N 1 0 360.414 2.908 20 5 FFBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000609346105 520289962 /nfs/dbraw/zinc/28/99/62/520289962.db2.gz MOVMKSNAMVUGSU-GOSISDBHSA-N 1 0 360.458 2.874 20 5 FFBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000609353151 520293238 /nfs/dbraw/zinc/29/32/38/520293238.db2.gz OPJCTUBCVKQXSM-KBPBESRZSA-N 1 0 369.487 2.698 20 5 FFBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000609353155 520293289 /nfs/dbraw/zinc/29/32/89/520293289.db2.gz OPJCTUBCVKQXSM-ZIAGYGMSSA-N 1 0 369.487 2.698 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000609354817 520293348 /nfs/dbraw/zinc/29/33/48/520293348.db2.gz LSFOHGKDQMZRCX-CHWSQXEVSA-N 1 0 350.419 2.988 20 5 FFBDRO O=C1N(CC[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C[C@H]2CCCCN12 ZINC000595102113 520294449 /nfs/dbraw/zinc/29/44/49/520294449.db2.gz JUAWXRAKGVASRS-AEFFLSMTSA-N 1 0 358.442 2.852 20 5 FFBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C1CCN([C@@H]2CCOC2)CC1)C1CC1 ZINC000595102180 520294921 /nfs/dbraw/zinc/29/49/21/520294921.db2.gz LANXIYSWSPOQIF-MOPGFXCFSA-N 1 0 359.470 2.759 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1SC ZINC000597922667 520325252 /nfs/dbraw/zinc/32/52/52/520325252.db2.gz KKCHHRDRYKNFCQ-LLVKDONJSA-N 1 0 367.471 2.928 20 5 FFBDRO COc1cc(C(=O)N2CC[C@H](c3ccccc3)[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000595220544 520356735 /nfs/dbraw/zinc/35/67/35/520356735.db2.gz IVODBPOAABTGAM-HZPDHXFCSA-N 1 0 355.394 2.560 20 5 FFBDRO COc1cc(C[NH2+][C@@H]2CC[C@H](C(=O)OC(C)(C)C)C2)c([N+](=O)[O-])cc1O ZINC000592378491 520359622 /nfs/dbraw/zinc/35/96/22/520359622.db2.gz APJJLSYDTQCISF-WCQYABFASA-N 1 0 366.414 2.909 20 5 FFBDRO C[C@H]1C[NH+](CCCNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C[C@H](C)O1 ZINC000603784741 520359837 /nfs/dbraw/zinc/35/98/37/520359837.db2.gz JYJMPGQXXZKQHF-STQMWFEESA-N 1 0 361.398 2.570 20 5 FFBDRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)c2ccc([N+](=O)[O-])cc2)cc1F ZINC000595255973 520374769 /nfs/dbraw/zinc/37/47/69/520374769.db2.gz HQNBQQKRSZJLBJ-RDJZCZTQSA-N 1 0 373.384 2.618 20 5 FFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000595257188 520377134 /nfs/dbraw/zinc/37/71/34/520377134.db2.gz IEPQYXSNYMXWRR-QGZVFWFLSA-N 1 0 371.393 2.907 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)c1 ZINC000595268400 520379683 /nfs/dbraw/zinc/37/96/83/520379683.db2.gz IRVFCGBRAFVDER-NVXWUHKLSA-N 1 0 373.384 2.618 20 5 FFBDRO CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000595269828 520382003 /nfs/dbraw/zinc/38/20/03/520382003.db2.gz SXGAHPTWFKTYOJ-WMZOPIPTSA-N 1 0 369.421 2.869 20 5 FFBDRO CCN(C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CC[N@H+](CC)C1 ZINC000598040314 520388930 /nfs/dbraw/zinc/38/89/30/520388930.db2.gz OUUDFTOSPCUJAC-AWEZNQCLSA-N 1 0 369.849 2.960 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000609710623 520412300 /nfs/dbraw/zinc/41/23/00/520412300.db2.gz CEHYAVKUXUESEZ-INIZCTEOSA-N 1 0 353.850 2.935 20 5 FFBDRO O=[N+]([O-])c1cc(F)ccc1CN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000595332705 520413285 /nfs/dbraw/zinc/41/32/85/520413285.db2.gz PPFXOUDPRCRXJJ-UHFFFAOYSA-N 1 0 351.422 2.811 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000600756166 520451013 /nfs/dbraw/zinc/45/10/13/520451013.db2.gz HNBOFNYJBRFXOA-INIZCTEOSA-N 1 0 353.850 2.839 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@@H]1C[C@H]1c1ccc(F)cc1F ZINC000600761427 520453162 /nfs/dbraw/zinc/45/31/62/520453162.db2.gz ZBLBHXWGJBLAGF-DUVNUKRYSA-N 1 0 364.348 2.758 20 5 FFBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592554166 520454480 /nfs/dbraw/zinc/45/44/80/520454480.db2.gz FMPCDGWFPXNQAI-CVEARBPZSA-N 1 0 361.442 2.602 20 5 FFBDRO O=[N+]([O-])c1ccc2ncnc(NC[C@H](c3ccco3)[NH+]3CCCC3)c2c1 ZINC000609849617 520457072 /nfs/dbraw/zinc/45/70/72/520457072.db2.gz RWILJYPGKILLRN-MRXNPFEDSA-N 1 0 353.382 2.802 20 5 FFBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000592568957 520458022 /nfs/dbraw/zinc/45/80/22/520458022.db2.gz RZJZTFFWIGSWCN-CYBMUJFWSA-N 1 0 367.833 2.808 20 5 FFBDRO CNS(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000595419219 520460432 /nfs/dbraw/zinc/46/04/32/520460432.db2.gz IJPUBNSIWUAVKS-ZDUSSCGKSA-N 1 0 363.439 2.662 20 5 FFBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H](CO)[C@H](C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000613389179 520478439 /nfs/dbraw/zinc/47/84/39/520478439.db2.gz KHAFNDDJALRQHU-XUWXXGDYSA-N 1 0 371.437 2.984 20 5 FFBDRO C[C@@H](c1ccccc1)[C@H](CO)[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000613389097 520478779 /nfs/dbraw/zinc/47/87/79/520478779.db2.gz DMUCKWUMWLJELN-GUYCJALGSA-N 1 0 368.393 2.899 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](CO)[C@@H](C)c1ccccc1 ZINC000613390232 520480461 /nfs/dbraw/zinc/48/04/61/520480461.db2.gz ZTWXIQATLMZWPZ-HNAYVOBHSA-N 1 0 371.437 2.986 20 5 FFBDRO C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000598195957 520487129 /nfs/dbraw/zinc/48/71/29/520487129.db2.gz XSIRHTZOMYREQK-MRXNPFEDSA-N 1 0 368.437 2.566 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000595464749 520489069 /nfs/dbraw/zinc/48/90/69/520489069.db2.gz DIUDFFJWFABMTF-AWEZNQCLSA-N 1 0 364.446 2.523 20 5 FFBDRO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)CC(=O)NCc1ccccc1 ZINC000610003697 520503753 /nfs/dbraw/zinc/50/37/53/520503753.db2.gz HGGDUCJJKPPKNK-UHFFFAOYSA-N 1 0 357.410 2.612 20 5 FFBDRO Cc1c(NC(=O)[C@H](C)N2CCC[C@@]3(CC[N@H+](C)C3)C2)cccc1[N+](=O)[O-] ZINC000595505528 520513622 /nfs/dbraw/zinc/51/36/22/520513622.db2.gz VOGAPSXVLLCXER-KXBFYZLASA-N 1 0 360.458 2.648 20 5 FFBDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000598262891 520527712 /nfs/dbraw/zinc/52/77/12/520527712.db2.gz NKZDNDOAGNDBFR-CQSZACIVSA-N 1 0 358.442 2.855 20 5 FFBDRO CC(C)C[NH+]1CCN(C(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000604445355 520564780 /nfs/dbraw/zinc/56/47/80/520564780.db2.gz XZAUDKGJVMUBFG-ZDUSSCGKSA-N 1 0 369.849 2.816 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(CN3CC[NH+](C)CC3)cc2)c1 ZINC000610223889 520588747 /nfs/dbraw/zinc/58/87/47/520588747.db2.gz PBEBTWGVLMKGAA-UHFFFAOYSA-N 1 0 368.437 2.903 20 5 FFBDRO C[NH+](C)CCOc1ccc(CNC(=O)c2c(F)cccc2[N+](=O)[O-])cc1 ZINC000601035442 520607401 /nfs/dbraw/zinc/60/74/01/520607401.db2.gz VJYLXYLSWGLSEW-UHFFFAOYSA-N 1 0 361.373 2.604 20 5 FFBDRO C[C@@H]1COC2(CCC2)C[N@@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000595682272 520644004 /nfs/dbraw/zinc/64/40/04/520644004.db2.gz QBYGWKMOMAOPJO-CYBMUJFWSA-N 1 0 361.398 2.536 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H](CO)[C@H](C)c2ccccc2)c1 ZINC000593024422 520691614 /nfs/dbraw/zinc/69/16/14/520691614.db2.gz DOHYXWWECRHGPD-DYVFJYSZSA-N 1 0 358.394 2.636 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1C(F)(F)F ZINC000610468602 520703538 /nfs/dbraw/zinc/70/35/38/520703538.db2.gz QRUVKDOCUCENSM-CABCVRRESA-N 1 0 359.348 2.649 20 5 FFBDRO O=C(CCNc1ccccc1[N+](=O)[O-])NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000598558028 520703720 /nfs/dbraw/zinc/70/37/20/520703720.db2.gz BLBQXITUOCKFPA-MRXNPFEDSA-N 1 0 360.458 2.635 20 5 FFBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000598560437 520704823 /nfs/dbraw/zinc/70/48/23/520704823.db2.gz LXOWJZIJAKBZOT-OAHLLOKOSA-N 1 0 363.483 2.925 20 5 FFBDRO CC(C)c1ccc(C[NH2+][C@@H]2CCN(C3CCOCC3)C2=O)cc1[N+](=O)[O-] ZINC000610479694 520708912 /nfs/dbraw/zinc/70/89/12/520708912.db2.gz RFXAWMZCHHRCGO-QGZVFWFLSA-N 1 0 361.442 2.588 20 5 FFBDRO Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)cn1 ZINC000595772430 520713588 /nfs/dbraw/zinc/71/35/88/520713588.db2.gz SSIRWKCVNDLLFC-DZGCQCFKSA-N 1 0 355.398 2.971 20 5 FFBDRO CC(C)(C)O[C@H]1C[C@@H]([NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C12CCC2 ZINC000595779126 520717640 /nfs/dbraw/zinc/71/76/40/520717640.db2.gz ZKUJSPPKMSVNDN-CVEARBPZSA-N 1 0 361.442 2.910 20 5 FFBDRO COC(=O)c1ccnc(NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000598589992 520730398 /nfs/dbraw/zinc/73/03/98/520730398.db2.gz WMRJMEPPKHMYOM-SJKOYZFVSA-N 1 0 350.419 2.699 20 5 FFBDRO COC(=O)c1ccnc(NCC[C@@H](C)[N@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000598602776 520737474 /nfs/dbraw/zinc/73/74/74/520737474.db2.gz QHTUTCVMBXGWHA-CQSZACIVSA-N 1 0 372.425 2.521 20 5 FFBDRO COC(=O)c1ccnc(N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000598613956 520743292 /nfs/dbraw/zinc/74/32/92/520743292.db2.gz ZYUOWPVQFKBJDM-UKRRQHHQSA-N 1 0 370.409 2.851 20 5 FFBDRO COc1cc(C[N@@H+]2CC[C@@H]3COC[C@H]3C2)c([N+](=O)[O-])cc1OC(F)F ZINC000595830354 520754160 /nfs/dbraw/zinc/75/41/60/520754160.db2.gz KRIVLCZAEMKGJG-ZYHUDNBSSA-N 1 0 358.341 2.673 20 5 FFBDRO O=C(CC[C@H]1CCC[NH2+]C1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000598666432 520774413 /nfs/dbraw/zinc/77/44/13/520774413.db2.gz UAJLEXMMOWXISK-OAHLLOKOSA-N 1 0 361.442 2.744 20 5 FFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000595900407 520804374 /nfs/dbraw/zinc/80/43/74/520804374.db2.gz FMNXDZBHBZAXHZ-GDBMZVCRSA-N 1 0 360.458 2.633 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@H]([NH3+])CCc2ccccc21 ZINC000595903989 520809587 /nfs/dbraw/zinc/80/95/87/520809587.db2.gz LIHXGSSADQVSFQ-OAHLLOKOSA-N 1 0 354.410 2.622 20 5 FFBDRO C[C@@H]1C[N@H+](C)[C@H](C)[C@H](C)N1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000593188211 520810210 /nfs/dbraw/zinc/81/02/10/520810210.db2.gz YXEYODZNLONPBX-KFWWJZLASA-N 1 0 360.458 2.748 20 5 FFBDRO CC[C@@H]1COC(C)(C)CN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000593258837 520863251 /nfs/dbraw/zinc/86/32/51/520863251.db2.gz SPILMEOQEUVAJP-CQSZACIVSA-N 1 0 358.398 2.810 20 5 FFBDRO CC[C@@H]1CN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)[C@H](CC)CO1 ZINC000593258619 520863758 /nfs/dbraw/zinc/86/37/58/520863758.db2.gz QNODDNCUGJOJGD-HUUCEWRRSA-N 1 0 358.398 2.810 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CCc2nsc3ccccc23)c1 ZINC000596065911 520890001 /nfs/dbraw/zinc/89/00/01/520890001.db2.gz YGNHERMTYCUJSD-AWEZNQCLSA-N 1 0 373.434 2.777 20 5 FFBDRO COc1cc(NCc2ccc(N3CC[NH+](C)CC3)nc2)c([N+](=O)[O-])cc1C ZINC000596070706 520894204 /nfs/dbraw/zinc/89/42/04/520894204.db2.gz SESPFYLVYIDHFH-UHFFFAOYSA-N 1 0 371.441 2.671 20 5 FFBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+][C@H]1CCO[C@@]3(CCSC3)C1)OCCO2 ZINC000610890040 520895398 /nfs/dbraw/zinc/89/53/98/520895398.db2.gz UYMJCDOUVDRAAB-GUYCJALGSA-N 1 0 366.439 2.510 20 5 FFBDRO C[NH+]1CCC2(CC1)C[C@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)c1ccccc1O2 ZINC000610899536 520898126 /nfs/dbraw/zinc/89/81/26/520898126.db2.gz ZELVLEVDAJILIJ-INIZCTEOSA-N 1 0 370.409 2.641 20 5 FFBDRO C[NH2+]C[C@@H](C)NCc1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000596104353 520914307 /nfs/dbraw/zinc/91/43/07/520914307.db2.gz DANFCPKCNHRQFW-CQSZACIVSA-N 1 0 359.426 2.880 20 5 FFBDRO CC1(C)C[N@@H+](C2(CNc3cc[nH]c(=O)c3[N+](=O)[O-])CCCCC2)CCO1 ZINC000596118703 520923912 /nfs/dbraw/zinc/92/39/12/520923912.db2.gz AURKDDBRYXWNGZ-UHFFFAOYSA-N 1 0 364.446 2.921 20 5 FFBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596127020 520928360 /nfs/dbraw/zinc/92/83/60/520928360.db2.gz SOULVUBANZLBNL-CABCVRRESA-N 1 0 360.458 2.785 20 5 FFBDRO C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)C[N@@H+]1Cc1ccccc1 ZINC000596163474 520946631 /nfs/dbraw/zinc/94/66/31/520946631.db2.gz VMFJCWQTRWNBFJ-CJNGLKHVSA-N 1 0 354.410 2.769 20 5 FFBDRO C[NH+](C)[C@@H]1CCOc2c(Nc3ccc([N+](=O)[O-])c(C(N)=O)c3)cccc21 ZINC000596214419 520975027 /nfs/dbraw/zinc/97/50/27/520975027.db2.gz GGXWMMCIXZKPCV-OAHLLOKOSA-N 1 0 356.382 2.823 20 5 FFBDRO CC[N@@H+]1CCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000611088167 520979250 /nfs/dbraw/zinc/97/92/50/520979250.db2.gz HRTUPZMLRUAEAT-GFCCVEGCSA-N 1 0 355.822 2.570 20 5 FFBDRO Nc1ccc(N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)nc1[N+](=O)[O-] ZINC000596230533 520984831 /nfs/dbraw/zinc/98/48/31/520984831.db2.gz BOYQPKGDCWYMKZ-LJQANCHMSA-N 1 0 353.426 2.674 20 5 FFBDRO C[N@@H+]1CCCC[C@@H](CNC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000599024010 520987341 /nfs/dbraw/zinc/98/73/41/520987341.db2.gz FKDUUSYOMMXQPZ-ZDUSSCGKSA-N 1 0 368.865 2.822 20 5 FFBDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1cccc(Cn2nc([N+](=O)[O-])cc2C)c1 ZINC000593447522 520997486 /nfs/dbraw/zinc/99/74/86/520997486.db2.gz DLOAIHZBIHQFHL-AWEZNQCLSA-N 1 0 373.457 2.608 20 5 FFBDRO COc1cc(N2CCC(CO)([NH2+]CC3CC3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596267154 521001205 /nfs/dbraw/zinc/00/12/05/521001205.db2.gz XCZSMRXIMKCOKT-UHFFFAOYSA-N 1 0 369.849 2.588 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C)cc3)C2)c1 ZINC000601881136 521003717 /nfs/dbraw/zinc/00/37/17/521003717.db2.gz RTJIJWRECZAORQ-MRXNPFEDSA-N 1 0 369.421 2.916 20 5 FFBDRO Cn1ncc(C(F)(F)F)c1C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000599061842 521006790 /nfs/dbraw/zinc/00/67/90/521006790.db2.gz SJTORSDGOPTBLM-VXGBXAGGSA-N 1 0 372.351 2.817 20 5 FFBDRO O=[N+]([O-])c1c2ccncc2ccc1N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000599086657 521023493 /nfs/dbraw/zinc/02/34/93/521023493.db2.gz RKNQNMFOCIYMPI-UHFFFAOYSA-N 1 0 356.426 2.834 20 5 FFBDRO O=[N+]([O-])c1cnc(N2CCO[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]32)c(F)c1 ZINC000593496994 521033560 /nfs/dbraw/zinc/03/35/60/521033560.db2.gz ZFLWGULRBAOVRR-QZTJIDSGSA-N 1 0 372.400 2.609 20 5 FFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000601977186 521053418 /nfs/dbraw/zinc/05/34/18/521053418.db2.gz RZXZHMTZTGGZBX-CHWSQXEVSA-N 1 0 351.472 2.970 20 5 FFBDRO O=[N+]([O-])c1cc2c(cc1CN1CC[NH+](C3CCCCC3)CC1)OCCO2 ZINC000611253818 521060631 /nfs/dbraw/zinc/06/06/31/521060631.db2.gz UGHKJVJCHLVXBK-UHFFFAOYSA-N 1 0 361.442 2.816 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2ccc(CN3CC[NH+]([C@H]4CCC[C@H]4O)CC3)o2)c1 ZINC000611268440 521068561 /nfs/dbraw/zinc/06/85/61/521068561.db2.gz NSODBVUTMAMJIO-RBUKOAKNSA-N 1 0 371.437 2.886 20 5 FFBDRO COc1cc(OC)c(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)cc1F ZINC000593599201 521100414 /nfs/dbraw/zinc/10/04/14/521100414.db2.gz QLRHSZCXGUGKNX-UHFFFAOYSA-N 1 0 350.346 2.920 20 5 FFBDRO O=C1[C@H]([N@@H+]2CCC[C@H](C[C@H]3CCOC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000611350385 521113915 /nfs/dbraw/zinc/11/39/15/521113915.db2.gz KQLVVGCOSPGTFH-GPMSIDNRSA-N 1 0 373.453 2.839 20 5 FFBDRO Nc1cc(NC[C@H](c2ccco2)[NH+]2CCCCC2)cc(CO)c1[N+](=O)[O-] ZINC000611525050 521200920 /nfs/dbraw/zinc/20/09/20/521200920.db2.gz GMICYAKSYQATQQ-MRXNPFEDSA-N 1 0 360.414 2.901 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000611537126 521206609 /nfs/dbraw/zinc/20/66/09/521206609.db2.gz VVCKTFCEHVFLFK-GOSISDBHSA-N 1 0 360.414 2.858 20 5 FFBDRO C[C@H]1CCCN(c2ccc(C(=O)NCC(C)(C)[NH+](C)C)cc2[N+](=O)[O-])C1 ZINC000602220250 521218088 /nfs/dbraw/zinc/21/80/88/521218088.db2.gz MOZFEVHVOVTCPP-AWEZNQCLSA-N 1 0 362.474 2.901 20 5 FFBDRO COC(=O)[C@@H]1CCCCC[N@@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000611576178 521229912 /nfs/dbraw/zinc/22/99/12/521229912.db2.gz ODAFVNWTVIBZQC-INIZCTEOSA-N 1 0 363.414 2.649 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H](OC(F)F)C1 ZINC000611577218 521231112 /nfs/dbraw/zinc/23/11/12/521231112.db2.gz GRMWMMWMSVPYRU-LBPRGKRZSA-N 1 0 373.356 2.636 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])c(NCC2([NH+]3CCCCC3)CCN(C)CC2)n1 ZINC000611616854 521250800 /nfs/dbraw/zinc/25/08/00/521250800.db2.gz RJXCNFQJPDXNOZ-UHFFFAOYSA-N 1 0 361.490 2.969 20 5 FFBDRO CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2C[C@H]3C[NH2+]C[C@@H]3C2)cc1OC ZINC000611661359 521269977 /nfs/dbraw/zinc/26/99/77/521269977.db2.gz WCKKWBMOTQXFGW-NUEKZKHPSA-N 1 0 363.458 2.680 20 5 FFBDRO CC(C)[C@H]1C[N@H+](Cc2ccccc2)CCN1CCn1cc([N+](=O)[O-])cn1 ZINC000599536954 521282579 /nfs/dbraw/zinc/28/25/79/521282579.db2.gz XQISJULITSBABU-LJQANCHMSA-N 1 0 357.458 2.634 20 5 FFBDRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])C2)C1 ZINC000593911554 521287649 /nfs/dbraw/zinc/28/76/49/521287649.db2.gz GOTKOFWOFJBXLW-AXAPSJFSSA-N 1 0 367.833 2.607 20 5 FFBDRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000593918562 521291124 /nfs/dbraw/zinc/29/11/24/521291124.db2.gz GEVAASXTDOKEMY-FRFSOERESA-N 1 0 373.409 2.842 20 5 FFBDRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000593920154 521291880 /nfs/dbraw/zinc/29/18/80/521291880.db2.gz YKNBVUYGEUCHJJ-XFBWCDHKSA-N 1 0 367.833 2.749 20 5 FFBDRO CCc1ccc(C(=O)N2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cc1[N+](=O)[O-] ZINC000593919651 521292310 /nfs/dbraw/zinc/29/23/10/521292310.db2.gz WMAJWWNSSXKSRB-JFIYKMOQSA-N 1 0 361.442 2.658 20 5 FFBDRO O=[N+]([O-])c1ccc2ncnc(NC3CC[NH+]([C@H]4CCCC[C@H]4O)CC3)c2c1 ZINC000611712059 521293373 /nfs/dbraw/zinc/29/33/73/521293373.db2.gz UZNPUSDZKMDSJM-ZWKOTPCHSA-N 1 0 371.441 2.718 20 5 FFBDRO Cc1c(NC(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000599597184 521320853 /nfs/dbraw/zinc/32/08/53/521320853.db2.gz VFEDCAZYPKLPMW-WDEREUQCSA-N 1 0 360.336 2.894 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000596891934 521360699 /nfs/dbraw/zinc/36/06/99/521360699.db2.gz YFNDGUTVPUUATG-CYBMUJFWSA-N 1 0 350.419 2.988 20 5 FFBDRO CCOC(=O)CC[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C(C)C ZINC000594051026 521374721 /nfs/dbraw/zinc/37/47/21/521374721.db2.gz KKSDKYUFFROUGC-UHFFFAOYSA-N 1 0 352.387 2.625 20 5 FFBDRO O=C(c1c(Br)cccc1[N+](=O)[O-])N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000602490686 521377075 /nfs/dbraw/zinc/37/70/75/521377075.db2.gz FMADBRWZDBVHJV-OAHLLOKOSA-N 1 0 368.231 2.573 20 5 FFBDRO COc1ccc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1OC ZINC000602504914 521383653 /nfs/dbraw/zinc/38/36/53/521383653.db2.gz NQQRMKRGESGLOB-UHFFFAOYSA-N 1 0 372.425 2.766 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@H]3Cc4ccccc4O3)CC2)cn1 ZINC000602509648 521386426 /nfs/dbraw/zinc/38/64/26/521386426.db2.gz GGOWMIVIUBFSHA-QGZVFWFLSA-N 1 0 354.410 2.552 20 5 FFBDRO CC(C)([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc2ccccc2c1 ZINC000599672114 521388316 /nfs/dbraw/zinc/38/83/16/521388316.db2.gz ASFWYDFNLINVGR-GOSISDBHSA-N 1 0 354.410 2.830 20 5 FFBDRO C[C@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)N1CCC(C)CC1 ZINC000602523340 521394276 /nfs/dbraw/zinc/39/42/76/521394276.db2.gz BFMBXISJWDYMLS-MRXNPFEDSA-N 1 0 361.490 2.669 20 5 FFBDRO COc1ccc(CC(=O)N2CCCc3cccc(C[NH3+])c32)cc1[N+](=O)[O-] ZINC000602539092 521402483 /nfs/dbraw/zinc/40/24/83/521402483.db2.gz BSKFVSMQWKBLDX-UHFFFAOYSA-N 1 0 355.394 2.584 20 5 FFBDRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000602573021 521417012 /nfs/dbraw/zinc/41/70/12/521417012.db2.gz WKPSKTYXYLMOFY-XJKSGUPXSA-N 1 0 354.410 2.687 20 5 FFBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000602579633 521421848 /nfs/dbraw/zinc/42/18/48/521421848.db2.gz CEJIBICMEIKPON-INIZCTEOSA-N 1 0 373.409 2.572 20 5 FFBDRO [NH3+]CC1(NC(=O)c2ccc([N+](=O)[O-])cc2Br)CCCCC1 ZINC000602600079 521433217 /nfs/dbraw/zinc/43/32/17/521433217.db2.gz HNLFQXJJRBKAOC-UHFFFAOYSA-N 1 0 356.220 2.749 20 5 FFBDRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000594200289 521466481 /nfs/dbraw/zinc/46/64/81/521466481.db2.gz KMSQHOWGEBEMOB-JKSUJKDBSA-N 1 0 369.425 2.527 20 5 FFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC000602664655 521468549 /nfs/dbraw/zinc/46/85/49/521468549.db2.gz HXMISFYBYBAJPH-SNVBAGLBSA-N 1 0 366.361 2.528 20 5 FFBDRO Cc1nccnc1CC[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602674820 521472755 /nfs/dbraw/zinc/47/27/55/521472755.db2.gz DTGPVJGOSLZSPQ-UHFFFAOYSA-N 1 0 357.233 2.850 20 5 FFBDRO Nc1c(NC(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)cc(Cl)cc1[N+](=O)[O-] ZINC000599800294 521481579 /nfs/dbraw/zinc/48/15/79/521481579.db2.gz HHCNXHIKNSETFY-LBPRGKRZSA-N 1 0 367.837 2.969 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597091138 521496242 /nfs/dbraw/zinc/49/62/42/521496242.db2.gz VSZGUZWDBRZKNH-JTQLQIEISA-N 1 0 355.826 2.825 20 5 FFBDRO Nc1c(NC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc(Cl)cc1[N+](=O)[O-] ZINC000597095659 521500955 /nfs/dbraw/zinc/50/09/55/521500955.db2.gz ZMGKERNUXWGRMH-MNOVXSKESA-N 1 0 353.810 2.579 20 5 FFBDRO C[NH+]1CCC(CCNC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)CC1 ZINC000597095475 521501591 /nfs/dbraw/zinc/50/15/91/521501591.db2.gz WNRRJEFBBFUDFB-UHFFFAOYSA-N 1 0 355.826 2.684 20 5 FFBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C1 ZINC000599840856 521505820 /nfs/dbraw/zinc/50/58/20/521505820.db2.gz UOQZOPVMAOXPQU-ZDUSSCGKSA-N 1 0 357.414 2.996 20 5 FFBDRO COc1ccc(C(=O)C2CC[NH+](CCn3c(C)ncc3[N+](=O)[O-])CC2)cc1 ZINC000602761098 521518090 /nfs/dbraw/zinc/51/80/90/521518090.db2.gz WHSZACLJKSZOHB-UHFFFAOYSA-N 1 0 372.425 2.703 20 5 FFBDRO COc1ccc(C[N@H+](C)CCn2c(C)ncc2[N+](=O)[O-])cc1OC(F)F ZINC000602762577 521518823 /nfs/dbraw/zinc/51/88/23/521518823.db2.gz NIHZMLXHPRFSJI-UHFFFAOYSA-N 1 0 370.356 2.842 20 5 FFBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3cccc4c3CCOC4)C2)nc1 ZINC000602794753 521536554 /nfs/dbraw/zinc/53/65/54/521536554.db2.gz OXVAXHNQCYHCSP-INIZCTEOSA-N 1 0 354.410 2.749 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H]1CC(=O)c1ccc(F)cc1 ZINC000602797074 521538580 /nfs/dbraw/zinc/53/85/80/521538580.db2.gz LNFLDKNCFRWEDB-MRXNPFEDSA-N 1 0 360.389 2.976 20 5 FFBDRO COC(=O)C(C)(C)[C@H]([NH2+]CCn1c(C)ncc1[N+](=O)[O-])c1ccccc1 ZINC000602806478 521543528 /nfs/dbraw/zinc/54/35/28/521543528.db2.gz UMRYJWNGBBQQAY-MRXNPFEDSA-N 1 0 360.414 2.630 20 5 FFBDRO Cn1cc(CN2CCO[C@@](C)(C(F)F)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000597253145 521597440 /nfs/dbraw/zinc/59/74/40/521597440.db2.gz YHXRFXNHSLOUOZ-QGZVFWFLSA-N 1 0 366.368 2.851 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+]Cc2cc(C)ccc2OC)cc1[N+](=O)[O-] ZINC000616088169 521619071 /nfs/dbraw/zinc/61/90/71/521619071.db2.gz PZOIUVBSVXBCHC-UHFFFAOYSA-N 1 0 374.393 2.753 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+][C@@H](C)c2cnccc2C)cc1[N+](=O)[O-] ZINC000616092888 521619971 /nfs/dbraw/zinc/61/99/71/521619971.db2.gz KECGLZNXFIGLAQ-ZDUSSCGKSA-N 1 0 359.382 2.701 20 5 FFBDRO COC1CC[NH+](CCNc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC1 ZINC000619527586 521752763 /nfs/dbraw/zinc/75/27/63/521752763.db2.gz YOLOCRDMMNYRFZ-UHFFFAOYSA-N 1 0 374.416 2.741 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000619638905 521806174 /nfs/dbraw/zinc/80/61/74/521806174.db2.gz INYLIJPPIQWEMZ-CYBMUJFWSA-N 1 0 350.419 2.988 20 5 FFBDRO CCOC(=O)[C@@H]1CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000026218831 535521726 /nfs/dbraw/zinc/52/17/26/535521726.db2.gz OLMJRTMSNPKHKT-CQSZACIVSA-N 1 0 363.414 2.507 20 5 FFBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]Cc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000823634787 599449984 /nfs/dbraw/zinc/44/99/84/599449984.db2.gz MBWFITLLXUXDKN-UHFFFAOYSA-N 1 0 352.398 2.887 20 5 FFBDRO C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)[C@@H]1c1ccccc1 ZINC000826028546 607967864 /nfs/dbraw/zinc/96/78/64/607967864.db2.gz CBLQFYPAKILVJE-IRXDYDNUSA-N 1 0 365.397 2.632 20 5 FFBDRO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1cccc(-c2nn[nH]n2)c1 ZINC000824598290 608481015 /nfs/dbraw/zinc/48/10/15/608481015.db2.gz DKQXNJQIWBLPGR-LBPRGKRZSA-N 1 0 354.370 2.505 20 5 FFBDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)c(F)c2)cc1[N+](=O)[O-] ZINC000826201952 609139112 /nfs/dbraw/zinc/13/91/12/609139112.db2.gz IXPXLVODLYRXET-JTQLQIEISA-N 1 0 372.360 2.773 20 5 FFBDRO Nc1cc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)ncc1[N+](=O)[O-] ZINC001164627836 719084233 /nfs/dbraw/zinc/08/42/33/719084233.db2.gz RBRFFDBINKJHQH-YJBOKZPZSA-N 1 0 353.426 2.673 20 5 FFBDRO Nc1nc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)ccc1[N+](=O)[O-] ZINC001164629204 719084620 /nfs/dbraw/zinc/08/46/20/719084620.db2.gz WLEJDJJQVINJGR-DOTOQJQBSA-N 1 0 353.426 2.673 20 5 FFBDRO O=[N+]([O-])c1c[nH]c2ccc(N3CC[C@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)nc21 ZINC001164724695 720403963 /nfs/dbraw/zinc/40/39/63/720403963.db2.gz KOCZLXGWUSWNIN-HOTGVXAUSA-N 1 0 364.409 2.719 20 5 FFBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164897257 721511558 /nfs/dbraw/zinc/51/15/58/721511558.db2.gz FNQHHVCHYADCEU-SJLPKXTDSA-N 1 0 372.400 2.779 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N2CCCC[C@H]2CC[NH+]2CCCC2)c1 ZINC001165047055 721972603 /nfs/dbraw/zinc/97/26/03/721972603.db2.gz DMHGPVITTYRYHH-ZDUSSCGKSA-N 1 0 354.838 2.726 20 5 FFBDRO C[C@H]1CCC[N@@H+]1CCNC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000898039363 735306067 /nfs/dbraw/zinc/30/60/67/735306067.db2.gz ZTYMWUJGWFQHSW-NSHDSACASA-N 1 0 370.247 2.500 20 5 FFBDRO Cc1c(NC(=S)NCC[NH+](C)C)cc([N+](=O)[O-])cc1C(F)(F)F ZINC000899597529 735524556 /nfs/dbraw/zinc/52/45/56/735524556.db2.gz PAYJUCWIQNJYGQ-UHFFFAOYSA-N 1 0 350.366 2.770 20 5 FFBDRO COC[C@@H](O)C[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000117947001 728579776 /nfs/dbraw/zinc/57/97/76/728579776.db2.gz BZEMFKZZCHAQKV-AWEZNQCLSA-N 1 0 350.346 2.623 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@](C)(C[NH3+])CC(C)C)c1 ZINC000193288352 729473762 /nfs/dbraw/zinc/47/37/62/729473762.db2.gz VRRIWLMHZWUZIF-AWEZNQCLSA-N 1 0 363.867 2.598 20 5 FFBDRO O=[N+]([O-])c1cc(Br)ccc1NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252668602 729624870 /nfs/dbraw/zinc/62/48/70/729624870.db2.gz YCAFIDOFSBCMIU-NWDGAFQWSA-N 1 0 356.220 2.632 20 5 FFBDRO CS[C@@H]1CN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H]1[NH+](C)C ZINC000779351976 738457681 /nfs/dbraw/zinc/45/76/81/738457681.db2.gz XFJAALOPDCZVBJ-QWHCGFSZSA-N 1 0 358.851 2.758 20 5 FFBDRO C[NH+](C)CCC[C@@H]1CN(c2cccc(Br)c2[N+](=O)[O-])CCO1 ZINC000856772804 730356621 /nfs/dbraw/zinc/35/66/21/730356621.db2.gz GCFZTWRYAYNBAS-GFCCVEGCSA-N 1 0 372.263 2.904 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000857303014 730390099 /nfs/dbraw/zinc/39/00/99/730390099.db2.gz JVOLORSKIXXZRI-JTQLQIEISA-N 1 0 370.247 2.960 20 5 FFBDRO O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1NCC[N@H+]1CC[C@@H](O)C1 ZINC000858812740 730434182 /nfs/dbraw/zinc/43/41/82/730434182.db2.gz RXDOYWKVIULIMN-MRVPVSSYSA-N 1 0 353.728 2.746 20 5 FFBDRO CC1([NH+]2CCOCC2)CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000859776113 730465705 /nfs/dbraw/zinc/46/57/05/730465705.db2.gz OLNIPXWRWRXETD-UHFFFAOYSA-N 1 0 353.850 2.935 20 5 FFBDRO C[N@@H+]1CCCC[C@H](CNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000862792603 730726761 /nfs/dbraw/zinc/72/67/61/730726761.db2.gz AVLPGRVYVCIFOI-LLVKDONJSA-N 1 0 357.813 2.778 20 5 FFBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000864611049 730865144 /nfs/dbraw/zinc/86/51/44/730865144.db2.gz ZRYKAGYBNREPDM-LBPRGKRZSA-N 1 0 370.247 2.500 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+]CC[C@@H]2CCCS2)cc1[N+](=O)[O-] ZINC000865724651 730990638 /nfs/dbraw/zinc/99/06/38/730990638.db2.gz BGIPWZZNWLPYSI-ZDUSSCGKSA-N 1 0 354.428 2.522 20 5 FFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1CCOC2(CCOCC2)C1 ZINC000866307997 731047981 /nfs/dbraw/zinc/04/79/81/731047981.db2.gz OCZFYLAWSNAGGS-CJNGLKHVSA-N 1 0 352.406 2.983 20 5 FFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1cccc(S(C)(=O)=O)c1 ZINC000866366751 731052433 /nfs/dbraw/zinc/05/24/33/731052433.db2.gz BDZNFJMMNOBRET-LBPRGKRZSA-N 1 0 366.414 2.858 20 5 FFBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)NCCC[NH+]1CCC(O)CC1 ZINC000872026538 731721561 /nfs/dbraw/zinc/72/15/61/731721561.db2.gz FULAEXALPQERHG-ZDUSSCGKSA-N 1 0 353.488 2.814 20 5 FFBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1CCCN1CCCO ZINC000872074960 731726706 /nfs/dbraw/zinc/72/67/06/731726706.db2.gz KZMFBUCGGWYIEK-DZGCQCFKSA-N 1 0 353.488 2.814 20 5 FFBDRO CC[C@@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000872119973 731731734 /nfs/dbraw/zinc/73/17/34/731731734.db2.gz LWPYJRAFDVBPBV-WPENSMPRSA-N 1 0 352.456 2.991 20 5 FFBDRO CN(CCCCCC[NH3+])c1ccc([N+](=O)[O-])c(N2CCOCC2)c1F ZINC000872783579 731830574 /nfs/dbraw/zinc/83/05/74/731830574.db2.gz FYPPLIGKYHMVMV-UHFFFAOYSA-N 1 0 354.426 2.526 20 5 FFBDRO COc1cc(F)c([N+](=O)[O-])c(N2C[C@H](SC)[C@@H]([NH+]3CCCC3)C2)c1 ZINC000780583689 738558677 /nfs/dbraw/zinc/55/86/77/738558677.db2.gz USZXTFYECXSRSO-GJZGRUSLSA-N 1 0 355.435 2.759 20 5 FFBDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000874837189 732106044 /nfs/dbraw/zinc/10/60/44/732106044.db2.gz IZUFOJFYQPPDAK-QWHCGFSZSA-N 1 0 368.231 2.666 20 5 FFBDRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000874839247 732106357 /nfs/dbraw/zinc/10/63/57/732106357.db2.gz UPBQAJVRTYQZAX-KBPBESRZSA-N 1 0 367.833 2.712 20 5 FFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]Cc3nnc(-c4ccccc4)s3)C2)c1 ZINC000877093597 732323056 /nfs/dbraw/zinc/32/30/56/732323056.db2.gz KJEJNVZFCKVBKL-UHFFFAOYSA-N 1 0 356.411 2.803 20 5 FFBDRO CC(C)c1ccc(C(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000877356582 732348728 /nfs/dbraw/zinc/34/87/28/732348728.db2.gz HBFRKPBOBNBSTN-WCQYABFASA-N 1 0 359.348 2.927 20 5 FFBDRO CC[N@@H+]1CCN(Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C[C@H]1C ZINC000878297883 732511352 /nfs/dbraw/zinc/51/13/52/732511352.db2.gz BLPRISWPYGLCTN-LLVKDONJSA-N 1 0 365.821 2.824 20 5 FFBDRO O=C(CC[N@@H+]1CCO[C@H](C(F)(F)F)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000880052279 732833593 /nfs/dbraw/zinc/83/35/93/732833593.db2.gz HMXDLFUSHKZVHK-ZDUSSCGKSA-N 1 0 361.320 2.577 20 5 FFBDRO CO[C@]1(C(F)(F)F)CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000880304499 732883820 /nfs/dbraw/zinc/88/38/20/732883820.db2.gz PQGYLBVLOFXDTE-CQSZACIVSA-N 1 0 361.320 2.577 20 5 FFBDRO COC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC(C)C)[C@@H]1CCCOC1 ZINC000886907523 733855920 /nfs/dbraw/zinc/85/59/20/733855920.db2.gz DRZNXKYUGAELMF-PBHICJAKSA-N 1 0 352.431 2.913 20 5 FFBDRO CCOc1cc(NC(=O)N2CCC([NH2+]C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000888834884 734103819 /nfs/dbraw/zinc/10/38/19/734103819.db2.gz VOWPWBQVFLLNJC-UHFFFAOYSA-N 1 0 350.419 2.988 20 5 FFBDRO COC1CC[NH+](C(C)(C)CNC(=S)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000730736110 734646733 /nfs/dbraw/zinc/64/67/33/734646733.db2.gz AUNBLWLHSWDEBU-UHFFFAOYSA-N 1 0 366.487 2.771 20 5 FFBDRO COc1c(O)ccc(C[NH2+]C[C@H](c2cccs2)N(C)C)c1[N+](=O)[O-] ZINC000893321376 734686528 /nfs/dbraw/zinc/68/65/28/734686528.db2.gz BDWAGLUPVBLQOF-GFCCVEGCSA-N 1 0 351.428 2.763 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C[C@@H]1CCC2(CCOCC2)[C@@H]1O ZINC000894277779 734829409 /nfs/dbraw/zinc/82/94/09/734829409.db2.gz MSPWVOJSUFPDHX-XJKSGUPXSA-N 1 0 354.834 2.906 20 5 FFBDRO C[S@](=O)CC[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000735085274 734928166 /nfs/dbraw/zinc/92/81/66/734928166.db2.gz OJHXPWUVGZUVIY-DEOSSOPVSA-N 1 0 352.387 2.994 20 5 FFBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Br)[NH+]1CCCCC1 ZINC000739701203 735057347 /nfs/dbraw/zinc/05/73/47/735057347.db2.gz PZVYLQSGZFZLJA-LLVKDONJSA-N 1 0 370.247 2.962 20 5 FFBDRO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N(C)CC1CC[NH+](C)CC1 ZINC000740868066 735093847 /nfs/dbraw/zinc/09/38/47/735093847.db2.gz DBQFLUMSFMIWFF-UHFFFAOYSA-N 1 0 353.394 2.689 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CC[C@H](C4OCCO4)C3)cs2)c1 ZINC000896386178 735150854 /nfs/dbraw/zinc/15/08/54/735150854.db2.gz LMSGWRACRXRFNW-ZDUSSCGKSA-N 1 0 361.423 2.913 20 5 FFBDRO CC(C)C[C@@H](CNc1ccc([N+](=O)[O-])cc1N1CCOC1=O)[NH+](C)C ZINC000742391643 735235491 /nfs/dbraw/zinc/23/54/91/735235491.db2.gz AOSJQLGXDKYYGK-AWEZNQCLSA-N 1 0 350.419 2.940 20 5 FFBDRO C[C@@H](C[NH2+]Cc1cnc(N2CCOCC2)s1)c1ccccc1[N+](=O)[O-] ZINC000897469735 735238422 /nfs/dbraw/zinc/23/84/22/735238422.db2.gz PMJGPMLSUPZMNS-ZDUSSCGKSA-N 1 0 362.455 2.781 20 5 FFBDRO CC[C@](C)([NH3+])c1cn(Cc2cc([N+](=O)[O-])ccc2Br)nn1 ZINC000900595798 735666334 /nfs/dbraw/zinc/66/63/34/735666334.db2.gz PSJCLOJBJZESOI-ZDUSSCGKSA-N 1 0 354.208 2.581 20 5 FFBDRO CC(C)(O)CC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000749789997 735748530 /nfs/dbraw/zinc/74/85/30/735748530.db2.gz GOPDNCFKKKJEJB-UHFFFAOYSA-N 1 0 361.364 2.897 20 5 FFBDRO C[C@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000750992100 735834476 /nfs/dbraw/zinc/83/44/76/735834476.db2.gz YMVFJIRRWCCSSL-LLVKDONJSA-N 1 0 370.247 2.962 20 5 FFBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000791058698 739526813 /nfs/dbraw/zinc/52/68/13/739526813.db2.gz DZQVKOFIAULKQB-AWEZNQCLSA-N 1 0 355.385 2.923 20 5 FFBDRO CC(C)[NH+]1CCC(N(C)C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)CC1 ZINC000905775107 736396465 /nfs/dbraw/zinc/39/64/65/736396465.db2.gz OLGYDKYVIDOJLD-UHFFFAOYSA-N 1 0 354.838 2.775 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@H](O)c2ccc(Cl)c(F)c2)cc1 ZINC000759046620 736543279 /nfs/dbraw/zinc/54/32/79/736543279.db2.gz BWISKUJBZKTDPD-CVEARBPZSA-N 1 0 354.765 2.744 20 5 FFBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000761042774 736689757 /nfs/dbraw/zinc/68/97/57/736689757.db2.gz RPYFRXWPBJGYSP-SNVBAGLBSA-N 1 0 359.304 2.777 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000761044898 736689996 /nfs/dbraw/zinc/68/99/96/736689996.db2.gz IZYLGWCUOBABNL-SNVBAGLBSA-N 1 0 361.320 2.816 20 5 FFBDRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1)C2 ZINC000908534305 736791093 /nfs/dbraw/zinc/79/10/93/736791093.db2.gz BCBPXTKGBXRJSM-MRXNPFEDSA-N 1 0 355.797 2.945 20 5 FFBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)c1cnc(CC2CC[NH2+]CC2)s1 ZINC000912272705 737285950 /nfs/dbraw/zinc/28/59/50/737285950.db2.gz WASIHAGVNJSBTM-UHFFFAOYSA-N 1 0 360.439 2.523 20 5 FFBDRO C[C@@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000912649503 737327600 /nfs/dbraw/zinc/32/76/00/737327600.db2.gz VOGRSADMGVXMPD-UKRRQHHQSA-N 1 0 351.422 2.998 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC([NH+]2CCC2)CC1 ZINC000912881189 737353157 /nfs/dbraw/zinc/35/31/57/737353157.db2.gz RABSATTVOCPRDK-GFCCVEGCSA-N 1 0 367.833 2.712 20 5 FFBDRO O=C(c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912903832 737356131 /nfs/dbraw/zinc/35/61/31/737356131.db2.gz UWJITMSGXWODGW-QMMMGPOBSA-N 1 0 362.188 2.961 20 5 FFBDRO CC[N@@H+]1CCC[C@H]1CNC(=S)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000768479263 737425393 /nfs/dbraw/zinc/42/53/93/737425393.db2.gz KGTYJMKTATXBNF-KRWDZBQOSA-N 1 0 362.499 2.918 20 5 FFBDRO Cc1cc(S(=O)(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)cc([N+](=O)[O-])c1F ZINC000771730121 737750226 /nfs/dbraw/zinc/75/02/26/737750226.db2.gz BEBIBRNAXXHZTD-STQMWFEESA-N 1 0 373.450 2.584 20 5 FFBDRO Cc1c([N+](=O)[O-])cc(C(=O)OCC[C@H]2CCCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000919226244 737845730 /nfs/dbraw/zinc/84/57/30/737845730.db2.gz DIDQQZYTRKIEIF-CYBMUJFWSA-N 1 0 351.359 2.843 20 5 FFBDRO C[C@H](C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)N1CCc2sccc2C1 ZINC000776273764 738176657 /nfs/dbraw/zinc/17/66/57/738176657.db2.gz ADWOXEVOSKFOLK-CXAGYDPISA-N 1 0 361.467 2.726 20 5 FFBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2(n3cc(Br)cn3)CC2)cc1 ZINC000922804067 738202928 /nfs/dbraw/zinc/20/29/28/738202928.db2.gz PVSKCNDSXNZYME-UHFFFAOYSA-N 1 0 351.204 2.833 20 5 FFBDRO Cc1cn2c(nc(C[N@H+](C)CCc3cccc([N+](=O)[O-])c3)cc2=O)s1 ZINC000930354706 739092451 /nfs/dbraw/zinc/09/24/51/739092451.db2.gz SBASGMNFKIRTCI-UHFFFAOYSA-N 1 0 358.423 2.647 20 5 FFBDRO Cc1ccc(N2CC[NH+](CC(C)(C)O)CC2)c([N+](=O)[O-])c1Br ZINC000787896701 739185087 /nfs/dbraw/zinc/18/50/87/739185087.db2.gz LXFIDQWPFUOOFF-UHFFFAOYSA-N 1 0 372.263 2.559 20 5 FFBDRO C[N@@H+]1C[C@@H]2CCN(C(=O)Nc3cc(Br)cc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000931335580 739247249 /nfs/dbraw/zinc/24/72/49/739247249.db2.gz XYGKAMFIFBCQKM-TVQRCGJNSA-N 1 0 369.219 2.525 20 5 FFBDRO C[NH+](C)C[C@@H]1CCCCN1C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC000931906352 739350475 /nfs/dbraw/zinc/35/04/75/739350475.db2.gz SPGFDHYQUSZSPV-VIFPVBQESA-N 1 0 358.801 2.526 20 5 FFBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000790588981 739472244 /nfs/dbraw/zinc/47/22/44/739472244.db2.gz AZWHYRJEGFWBAJ-LLVKDONJSA-N 1 0 357.813 2.776 20 5 FFBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000790599082 739472981 /nfs/dbraw/zinc/47/29/81/739472981.db2.gz RRYUQFKKFPLTAY-NSHDSACASA-N 1 0 357.813 2.778 20 5 FFBDRO C[N@H+](CCNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])C1CCCC1 ZINC000790657967 739482272 /nfs/dbraw/zinc/48/22/72/739482272.db2.gz SEMMZIWOWMOGTH-UHFFFAOYSA-N 1 0 357.813 2.920 20 5 FFBDRO CN(C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])[C@H]1CC[N@@H+](C2CC2)C1 ZINC000790886788 739509053 /nfs/dbraw/zinc/50/90/53/739509053.db2.gz AWYFOMOPYVXLJN-LBPRGKRZSA-N 1 0 355.797 2.625 20 5 FFBDRO O=C(CC[NH2+]C1([C@H]2CCCCO2)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000933375923 739612237 /nfs/dbraw/zinc/61/22/37/739612237.db2.gz PFKSAONBHVKFFQ-OAHLLOKOSA-N 1 0 351.378 2.754 20 5 FFBDRO C[C@H](C(=O)OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[NH+]1[C@H](C)CC[C@H]1C ZINC000791930080 739617323 /nfs/dbraw/zinc/61/73/23/739617323.db2.gz KEAGSTRFHGXCRN-IJLUTSLNSA-N 1 0 351.359 2.808 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)CCc2cc(F)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000933437235 739625071 /nfs/dbraw/zinc/62/50/71/739625071.db2.gz BIVJOAIZXUVJAY-BBRMVZONSA-N 1 0 351.422 2.855 20 5 FFBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)C1 ZINC000933778813 739689365 /nfs/dbraw/zinc/68/93/65/739689365.db2.gz JEIMEQURIAKCRV-SNVBAGLBSA-N 1 0 372.828 2.773 20 5 FFBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H](Cc3nccs3)C2)c2c(c1)COCO2 ZINC000934337640 739768867 /nfs/dbraw/zinc/76/88/67/739768867.db2.gz TZAWOVSGRMZQDQ-LBPRGKRZSA-N 1 0 361.423 2.982 20 5 FFBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC000934576255 739808423 /nfs/dbraw/zinc/80/84/23/739808423.db2.gz MDKZAALLJLVTHY-XHDPSFHLSA-N 1 0 351.834 2.780 20 5 FFBDRO Cc1ccc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c(Cl)c1 ZINC000940107294 740147033 /nfs/dbraw/zinc/14/70/33/740147033.db2.gz HGHVTSAQJOOXFC-GDBMZVCRSA-N 1 0 365.861 2.784 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)OCCC[NH+]2CCCC2)cc1SC ZINC000800162429 740495152 /nfs/dbraw/zinc/49/51/52/740495152.db2.gz WGDXDSPPHKNNJB-UHFFFAOYSA-N 1 0 354.428 2.968 20 5 FFBDRO O=C(NC1CC2(C1)CC([NH2+]Cc1sccc1Cl)C2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000963788400 740656038 /nfs/dbraw/zinc/65/60/38/740656038.db2.gz PJRMJNZNURLNRZ-WZOFNLEDSA-N 1 0 369.874 2.584 20 5 FFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCC3(CCOCC3)[C@H]2O)cc1Cl ZINC000802659524 740716265 /nfs/dbraw/zinc/71/62/65/740716265.db2.gz IMWZXMVHTZIKTD-CJNGLKHVSA-N 1 0 354.834 2.906 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@H](CCO)c2ccc(Cl)cc2)cc1 ZINC000805821698 741014119 /nfs/dbraw/zinc/01/41/19/741014119.db2.gz MGSIHPOPHPTYNA-SJORKVTESA-N 1 0 350.802 2.995 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1COC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000811445383 741522157 /nfs/dbraw/zinc/52/21/57/741522157.db2.gz QMPROLVSJNPNQS-QGZVFWFLSA-N 1 0 354.378 2.859 20 5 FFBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)[C@@H]1n1cccn1 ZINC000816672593 742052549 /nfs/dbraw/zinc/05/25/49/742052549.db2.gz DUSPSBJTAXZUME-IMJJTQAJSA-N 1 0 350.806 2.953 20 5 FFBDRO [NH3+][C@H]1CCCO[C@H]1C1CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000818009839 742229195 /nfs/dbraw/zinc/22/91/95/742229195.db2.gz BVWOTMMHRDTRPZ-HOCLYGCPSA-N 1 0 367.833 2.607 20 5 FFBDRO [NH3+]C[C@@H](NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])C1CCCCC1 ZINC000818555139 742278678 /nfs/dbraw/zinc/27/86/78/742278678.db2.gz MVXBLOZLIFIZIW-CQSZACIVSA-N 1 0 357.813 2.954 20 5 FFBDRO C[C@@H](COc1ccc(F)cc1F)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000818975261 742319261 /nfs/dbraw/zinc/31/92/61/742319261.db2.gz VIOBZMFBAYXSEB-MEDUHNTESA-N 1 0 352.337 2.964 20 5 FFBDRO COCC(C)(C)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2OC(F)F)CC1 ZINC000819942767 742447676 /nfs/dbraw/zinc/44/76/76/742447676.db2.gz LDOXQWGWRYVXKX-UHFFFAOYSA-N 1 0 359.373 2.743 20 5 FFBDRO C[C@H]1COCC[N@@H+]1C1CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000820131719 742466248 /nfs/dbraw/zinc/46/62/48/742466248.db2.gz IPJQFQGZPSCXRK-LBPRGKRZSA-N 1 0 367.833 2.574 20 5 FFBDRO O=[N+]([O-])c1c(Br)cccc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000820670578 742534189 /nfs/dbraw/zinc/53/41/89/742534189.db2.gz RJBUGCLVRFTORB-GFCCVEGCSA-N 1 0 370.247 2.516 20 5 FFBDRO Cc1cc(C[N@H+](C)CC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c(C)s1 ZINC001029964639 742824438 /nfs/dbraw/zinc/82/44/38/742824438.db2.gz SRSUMVPDNNMRKE-IAGOWNOFSA-N 1 0 365.499 2.701 20 5 FFBDRO Cc1cc(C[NH2+]Cc2ccc(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cc2)cs1 ZINC001034815724 742934453 /nfs/dbraw/zinc/93/44/53/742934453.db2.gz CLALRBGCSAREIQ-IAGOWNOFSA-N 1 0 359.451 2.628 20 5 FFBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000824571630 743109178 /nfs/dbraw/zinc/10/91/78/743109178.db2.gz NTFZMRGDWCZQME-LBPRGKRZSA-N 1 0 373.837 2.566 20 5 FFBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1CCCN(CCCO)C1 ZINC000824583172 743111632 /nfs/dbraw/zinc/11/16/32/743111632.db2.gz IQPUCBIRMLPYET-CYBMUJFWSA-N 1 0 362.257 2.838 20 5 FFBDRO Cc1ccc(CNC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)cc1[N+](=O)[O-] ZINC000825640630 743304926 /nfs/dbraw/zinc/30/49/26/743304926.db2.gz ICELLOHPHHQQHN-INIZCTEOSA-N 1 0 363.483 2.737 20 5 FFBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)CCOc3ccc(Cl)cc3[N+](=O)[O-])CC[C@H]21 ZINC000827321135 743554647 /nfs/dbraw/zinc/55/46/47/743554647.db2.gz UNAYYXCVPCNWAK-TZMCWYRMSA-N 1 0 367.833 2.570 20 5 FFBDRO O=C(C[N@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000831159708 745492772 /nfs/dbraw/zinc/49/27/72/745492772.db2.gz XZCFWIUIDYJQNJ-XNRPHZJLSA-N 1 0 367.833 2.812 20 5 FFBDRO Cc1cc([C@H]([NH3+])CC(=O)NCc2cccc([N+](=O)[O-])c2C)cc(Cl)n1 ZINC000831993446 745615756 /nfs/dbraw/zinc/61/57/56/745615756.db2.gz RXUKLZCDRRFCEU-CQSZACIVSA-N 1 0 362.817 2.966 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(C(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)cc1Cl ZINC000836780079 746304490 /nfs/dbraw/zinc/30/44/90/746304490.db2.gz VQJYXHBNUYFTLL-CYBMUJFWSA-N 1 0 369.849 2.523 20 5 FFBDRO C[N@H+](CCCCNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000837225333 746397122 /nfs/dbraw/zinc/39/71/22/746397122.db2.gz QIRWDENDKPAGGC-UHFFFAOYSA-N 1 0 357.813 2.920 20 5 FFBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000838514898 746655896 /nfs/dbraw/zinc/65/58/96/746655896.db2.gz WUXVXCANMTUBJJ-CQSZACIVSA-N 1 0 354.838 2.872 20 5 FFBDRO COC(=O)CC[N@@H+](CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])CC(C)C ZINC000839476441 746834658 /nfs/dbraw/zinc/83/46/58/746834658.db2.gz PDEMOJBMKLATEB-UHFFFAOYSA-N 1 0 371.821 2.708 20 5 FFBDRO C[C@@]1([NH2+]CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CCO[C@@H]1C1CC1 ZINC000839550075 746853190 /nfs/dbraw/zinc/85/31/90/746853190.db2.gz GVVOKNFWJFUIRE-HZPDHXFCSA-N 1 0 353.806 2.734 20 5 FFBDRO CO[C@@H]([C@@H](C)[NH2+][C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)C1CC1 ZINC000840779436 747181164 /nfs/dbraw/zinc/18/11/64/747181164.db2.gz BVNDJOUYEBFDOI-FCHSOHFDSA-N 1 0 355.822 2.978 20 5 FFBDRO O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000841160413 747283858 /nfs/dbraw/zinc/28/38/58/747283858.db2.gz CQPDZYJUKLPZTF-NSHDSACASA-N 1 0 369.219 2.716 20 5 FFBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000841161180 747284326 /nfs/dbraw/zinc/28/43/26/747284326.db2.gz KVNRRJUGRKPVLP-DTWKUNHWSA-N 1 0 357.208 2.558 20 5 FFBDRO CC[C@H]1CN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000841161479 747284451 /nfs/dbraw/zinc/28/44/51/747284451.db2.gz LMUCYHBVOCXNSW-CABZTGNLSA-N 1 0 371.235 2.948 20 5 FFBDRO C[C@@H]1CCN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000841162351 747284942 /nfs/dbraw/zinc/28/49/42/747284942.db2.gz VHDNLLPPPGVLNX-NXEZZACHSA-N 1 0 371.235 2.806 20 5 FFBDRO O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000841162358 747285406 /nfs/dbraw/zinc/28/54/06/747285406.db2.gz VLLBOVGHBCFBIR-CABZTGNLSA-N 1 0 369.219 2.573 20 5 FFBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N1CCC2(C1)CC[NH2+]CC2 ZINC000841857018 747477109 /nfs/dbraw/zinc/47/71/09/747477109.db2.gz VVNNMVDSQAGWLP-UHFFFAOYSA-N 1 0 352.822 2.533 20 5 FFBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000841854948 747477244 /nfs/dbraw/zinc/47/72/44/747477244.db2.gz GXOBKQKVOBBLCE-MRXNPFEDSA-N 1 0 352.822 2.533 20 5 FFBDRO CC(C)[N@@H+]1CCC[C@H](COC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000842831162 747701433 /nfs/dbraw/zinc/70/14/33/747701433.db2.gz QSDZNNRIRTUWAZ-LBPRGKRZSA-N 1 0 350.371 2.601 20 5 FFBDRO COc1ccc(CSCc2nc(C3CC[NH2+]CC3)no2)cc1[N+](=O)[O-] ZINC000843138197 747779321 /nfs/dbraw/zinc/77/93/21/747779321.db2.gz OSRPFQKMYFQBAG-UHFFFAOYSA-N 1 0 364.427 2.887 20 5 FFBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000843484008 747843221 /nfs/dbraw/zinc/84/32/21/747843221.db2.gz GWMCFPOFIXYRGP-RYUDHWBXSA-N 1 0 369.824 2.778 20 5 FFBDRO C[C@H]1CN(c2cc(Cl)c(F)cc2[N+](=O)[O-])CC[C@H]1[NH+]1CCN(C)CC1 ZINC000845512342 748273468 /nfs/dbraw/zinc/27/34/68/748273468.db2.gz UXMJBHPUNKGGTO-SWLSCSKDSA-N 1 0 370.856 2.850 20 5 FFBDRO CC[C@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@H]1CCCCO1 ZINC000847083528 748617415 /nfs/dbraw/zinc/61/74/15/748617415.db2.gz ZSWIYYUCTOMUNR-GOEBONIOSA-N 1 0 353.394 3.000 20 5 FFBDRO C[S@](=O)[C@H]1CCC[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000850500454 749376289 /nfs/dbraw/zinc/37/62/89/749376289.db2.gz DMNOBMFVHJKSOL-DZQNVJDRSA-N 1 0 365.499 2.843 20 5 FFBDRO C[C@@H]([NH2+]C[C@@H](O)c1cc(F)c(F)c(F)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850581374 749389505 /nfs/dbraw/zinc/38/95/05/749389505.db2.gz VPMJIGNEOTYPMA-ANRSDYALSA-N 1 0 355.316 2.979 20 5 FFBDRO COc1cc(N2C[C@H](SC)[C@@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])cc1C ZINC000853483869 750070915 /nfs/dbraw/zinc/07/09/15/750070915.db2.gz QGLLCMFRAAVRCH-RDJZCZTQSA-N 1 0 351.472 2.928 20 5 FFBDRO CCN(C(=O)NCc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CC[N@H+](CC)C1 ZINC000853848383 750181656 /nfs/dbraw/zinc/18/16/56/750181656.db2.gz XTTJUFCKDGOTRT-CQSZACIVSA-N 1 0 354.838 2.874 20 5 FFBDRO C[C@H](NC(=O)c1cc2ccccc2c2cccnc12)[C@H]1C[N@H+](C)CCN1C ZINC000896569852 971594792 /nfs/dbraw/zinc/59/47/92/971594792.db2.gz JESHXHYSVYJZLD-MGPUTAFESA-N 1 0 362.477 2.752 20 5 FFBDRO CCOC(=O)c1cnc(NCCC[N@@H+]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC001167750631 971697956 /nfs/dbraw/zinc/69/79/56/971697956.db2.gz ARWAPYQPUZPNPK-ZDUSSCGKSA-N 1 0 350.419 2.843 20 5 FFBDRO O=[N+]([O-])c1cc2c(Cl)ncnc2cc1-n1ccnc1[C@@H]1CCC[NH2+]C1 ZINC001167056775 959176191 /nfs/dbraw/zinc/17/61/91/959176191.db2.gz PJKJQARTCWONGT-SNVBAGLBSA-N 1 0 358.789 2.844 20 5 FFBDRO O=[N+]([O-])c1cc(-c2ccc(-n3ccnc3[C@@H]3CCC[NH2+]C3)nn2)ccc1F ZINC001167059975 959244027 /nfs/dbraw/zinc/24/40/27/959244027.db2.gz LYEREHAAYBXRDV-CYBMUJFWSA-N 1 0 368.372 2.844 20 5 FFBDRO O=[N+]([O-])c1ccccc1-c1ccc(-n2ccnc2[C@H]2CCC[NH2+]C2)nn1 ZINC001167060484 959251443 /nfs/dbraw/zinc/25/14/43/959251443.db2.gz SFICGQJLUJLVMM-ZDUSSCGKSA-N 1 0 350.382 2.705 20 5 FFBDRO O=[N+]([O-])c1cnc(N2CC3(CC[NH2+]CC3)c3ccccc32)c([N+](=O)[O-])c1 ZINC001167070525 959470135 /nfs/dbraw/zinc/47/01/35/959470135.db2.gz UHSGFHAOUIOGEL-UHFFFAOYSA-N 1 0 355.354 2.671 20 5 FFBDRO COc1cnc(N2Cc3ccccc3C3(CC[NH2+]CC3)C2)c([N+](=O)[O-])c1 ZINC001167159964 960334828 /nfs/dbraw/zinc/33/48/28/960334828.db2.gz HZFCPLLCEYZETM-UHFFFAOYSA-N 1 0 354.410 2.640 20 5 FFBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)N3CCCC4(CC4)C3)c2)CC1 ZINC000934040603 965539848 /nfs/dbraw/zinc/53/98/48/965539848.db2.gz VLQKNZFCQBMQSI-UHFFFAOYSA-N 1 0 373.457 2.755 20 5 FFBDRO CC(C)[C@@H](C)N(C)C(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000934044186 965543873 /nfs/dbraw/zinc/54/38/73/965543873.db2.gz QUMXXQBJSJDBPW-CQSZACIVSA-N 1 0 363.462 2.855 20 5 FFBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)N3CCCC34CCC4)c2)CC1 ZINC000934036431 965545015 /nfs/dbraw/zinc/54/50/15/965545015.db2.gz HFXZBTMADXCHMI-UHFFFAOYSA-N 1 0 373.457 2.897 20 5 FFBDRO C[NH+](C)CCC[C@@H]1CN(c2c3cc(F)ccc3ncc2[N+](=O)[O-])CCO1 ZINC000894645767 965554557 /nfs/dbraw/zinc/55/45/57/965554557.db2.gz QDLZJMFYKWTXKH-CQSZACIVSA-N 1 0 362.405 2.829 20 5 FFBDRO O=[N+]([O-])c1cnc2ccc(F)cc2c1N1CC[NH+](CCCCCO)CC1 ZINC000894965209 967129472 /nfs/dbraw/zinc/12/94/72/967129472.db2.gz CSRIBUQOSFSPMN-UHFFFAOYSA-N 1 0 362.405 2.567 20 5 FFBDRO O=[N+]([O-])c1ccc2oc(CN3CCC(O)(C[NH+]4CCCCC4)CC3)nc2c1 ZINC001176879760 1013791771 /nfs/dbraw/zinc/79/17/71/1013791771.db2.gz OCUNDFPJQRMPSY-UHFFFAOYSA-N 1 0 374.441 2.549 20 5 FFBDRO O=[N+]([O-])c1cc(Br)cc(F)c1O[C@@H]1C[NH2+]CCC[C@H]1F ZINC001217980390 969258678 /nfs/dbraw/zinc/25/86/78/969258678.db2.gz KXULVCGDQSJZFX-LDYMZIIASA-N 1 0 351.147 2.965 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC001267590857 969689225 /nfs/dbraw/zinc/68/92/25/969689225.db2.gz LGSSUGDVDBNSHU-UGSOOPFHSA-N 1 0 354.410 2.549 20 5 FFBDRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000874827011 1013910148 /nfs/dbraw/zinc/91/01/48/1013910148.db2.gz AGCGJLCENFUWCS-WOJBJXKFSA-N 1 0 361.445 2.990 20 5 FFBDRO C[C@@H]1[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N)CC[N@@H+]1Cc1ccccc1 ZINC000311652734 970098603 /nfs/dbraw/zinc/09/86/03/970098603.db2.gz UNZVYTPBQZCPSV-ACJLOTCBSA-N 1 0 354.410 2.570 20 5 FFBDRO Cn1ncc([N+](=O)[O-])c1NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000892811360 970304267 /nfs/dbraw/zinc/30/42/67/970304267.db2.gz OGZAINQNSBPVOU-UHFFFAOYSA-N 1 0 373.457 2.812 20 5 FFBDRO Cc1c(CNC(=O)N2CCC3(CC2)CC[NH+](C)CC3)cccc1[N+](=O)[O-] ZINC000875527679 1014040461 /nfs/dbraw/zinc/04/04/61/1014040461.db2.gz MKJLMIBDUCQQIP-UHFFFAOYSA-N 1 0 360.458 2.921 20 5 FFBDRO C[C@H](CNC(=O)N1CC[C@H](C[NH+]2CCCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000897067545 973216831 /nfs/dbraw/zinc/21/68/31/973216831.db2.gz KYSPWJYLYSCQFU-HZPDHXFCSA-N 1 0 360.458 2.826 20 5 FFBDRO C[C@@H](CNC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000897071876 973220407 /nfs/dbraw/zinc/22/04/07/973220407.db2.gz YKWAIKLCYFYBNN-JKSUJKDBSA-N 1 0 360.458 2.968 20 5 FFBDRO CCOC(=O)Cc1ccc(N2CC[C@@H](C)[C@@H](n3ccnc3)C2)c([N+](=O)[O-])c1 ZINC000825832340 1014095235 /nfs/dbraw/zinc/09/52/35/1014095235.db2.gz ORJCXAYKSYHRCZ-KDOFPFPSSA-N 1 0 372.425 2.984 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2csc(N3CC[C@H]4[C@@H]3CCC[N@H+]4CCO)n2)cc1 ZINC000897219826 973457498 /nfs/dbraw/zinc/45/74/98/973457498.db2.gz OSXYDZICGXNUBY-IRXDYDNUSA-N 1 0 374.466 2.754 20 5 FFBDRO CC(C)(C)Oc1cc(N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)ccc1[N+](=O)[O-] ZINC000897221806 973460674 /nfs/dbraw/zinc/46/06/74/973460674.db2.gz OWVNAUDDDQJVKT-HOTGVXAUSA-N 1 0 363.458 2.808 20 5 FFBDRO CC(C)(C)Oc1cc(N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)ccc1[N+](=O)[O-] ZINC000897221808 973460897 /nfs/dbraw/zinc/46/08/97/973460897.db2.gz OWVNAUDDDQJVKT-HZPDHXFCSA-N 1 0 363.458 2.808 20 5 FFBDRO Cc1cc(F)cc(C(=O)N2CCN(c3cc[nH+]cc3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000893448425 974081359 /nfs/dbraw/zinc/08/13/59/974081359.db2.gz WLLOPRRSUIYFAZ-CYBMUJFWSA-N 1 0 358.373 2.788 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCCN(c3ccccc3F)CC2)cc1 ZINC000796577974 1014375981 /nfs/dbraw/zinc/37/59/81/1014375981.db2.gz JCGDSVLJNZGJHH-LJQANCHMSA-N 1 0 359.401 2.980 20 5 FFBDRO O=C(Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1)c1ccc([N+](=O)[O-])o1 ZINC000893845156 977564757 /nfs/dbraw/zinc/56/47/57/977564757.db2.gz ILZFODRAQSUCJB-OAHLLOKOSA-N 1 0 356.382 2.725 20 5 FFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]CCc1nnc2ccccn21 ZINC000876898791 1014414555 /nfs/dbraw/zinc/41/45/55/1014414555.db2.gz VYNMHAICMZQRCH-UHFFFAOYSA-N 1 0 365.315 2.989 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000876921654 1014421792 /nfs/dbraw/zinc/42/17/92/1014421792.db2.gz RPHKWNBWKCEJJV-RDJZCZTQSA-N 1 0 361.442 2.570 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000876921652 1014422525 /nfs/dbraw/zinc/42/25/25/1014422525.db2.gz RPHKWNBWKCEJJV-DOTOQJQBSA-N 1 0 361.442 2.570 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000876943854 1014427206 /nfs/dbraw/zinc/42/72/06/1014427206.db2.gz HLNQGGOLJZJVJB-UXLLHSPISA-N 1 0 361.442 2.570 20 5 FFBDRO CCC(CC)C(=O)N1CCC([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000876948083 1014430226 /nfs/dbraw/zinc/43/02/26/1014430226.db2.gz FGUHXTVXTZXFPY-UHFFFAOYSA-N 1 0 363.462 2.512 20 5 FFBDRO Cn1cc(-c2ccccc2C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)cn1 ZINC000877130708 1014481915 /nfs/dbraw/zinc/48/19/15/1014481915.db2.gz SMCLNJHJSJEVAO-UHFFFAOYSA-N 1 0 352.398 2.685 20 5 FFBDRO CN1Cc2ccccc2[C@H]1CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC001152053964 1032092660 /nfs/dbraw/zinc/09/26/60/1032092660.db2.gz ZFOQYQDNKLGNIW-GOSISDBHSA-N 1 0 350.378 2.993 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N3CCC[C@@H]4[NH2+]CC[C@@H]43)cc2[N+](=O)[O-])CC1 ZINC000877286535 1014537673 /nfs/dbraw/zinc/53/76/73/1014537673.db2.gz FUWZOVPOXPLEQP-IRXDYDNUSA-N 1 0 372.469 2.798 20 5 FFBDRO O=C(NCC[N@@H+]1CCc2ccccc2C1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000130011553 979639228 /nfs/dbraw/zinc/63/92/28/979639228.db2.gz CCRCWCGNALCVTB-UHFFFAOYSA-N 1 0 364.405 2.864 20 5 FFBDRO CCc1ccc([C@@H](O)C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1 ZINC000877514789 1014608158 /nfs/dbraw/zinc/60/81/58/1014608158.db2.gz QHHHIGOVANQNPP-IBGZPJMESA-N 1 0 370.453 2.844 20 5 FFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@@H](O)c3cccc4ccccc43)C2)c1 ZINC000877624940 1014650860 /nfs/dbraw/zinc/65/08/60/1014650860.db2.gz JDPCXRMDMQWBEI-JFIBYHEFSA-N 1 0 352.394 2.971 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C[C@@]1(c2ccccc2)CCCO1 ZINC000905620346 980473522 /nfs/dbraw/zinc/47/35/22/980473522.db2.gz AEPQUXDDKBRGJA-FXAWDEMLSA-N 1 0 372.421 2.630 20 5 FFBDRO C[NH+](C)[C@H]1CCN(Cc2ccc(-c3cc([N+](=O)[O-])ccc3CCO)cc2)C1 ZINC000906180665 980592657 /nfs/dbraw/zinc/59/26/57/980592657.db2.gz YJFKWJGPOYQZDT-FQEVSTJZSA-N 1 0 369.465 2.933 20 5 FFBDRO CO[C@@H]1C[C@H]2C[N@H+](CCc3ccc([N+](=O)[O-])cc3)Cc3cccnc3N2C1 ZINC000877686909 1014678055 /nfs/dbraw/zinc/67/80/55/1014678055.db2.gz ATCVMPLETVOBRQ-RBUKOAKNSA-N 1 0 368.437 2.642 20 5 FFBDRO O=C(NC1CC2(C1)CC([NH2+]Cc1ccccc1C1CC1)C2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000963789879 1014764030 /nfs/dbraw/zinc/76/40/30/1014764030.db2.gz DNEHGUQILUHKTB-LYBMJUBJSA-N 1 0 369.465 2.746 20 5 FFBDRO O=C(NC1CC2(C1)CC([NH2+]CC1CCC3(CC3)CC1)C2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000963791147 1014766352 /nfs/dbraw/zinc/76/63/52/1014766352.db2.gz OELLBGUFUIHHMM-SWGIKSQZSA-N 1 0 361.486 2.639 20 5 FFBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000129309135 981893755 /nfs/dbraw/zinc/89/37/55/981893755.db2.gz HTUWXCSYZJYUMM-VQIMIIECSA-N 1 0 355.442 2.832 20 5 FFBDRO CCOC(=O)C1([C@H](C)[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCOCC1 ZINC000897745670 982508858 /nfs/dbraw/zinc/50/88/58/982508858.db2.gz MUWCQVDRCJNWJH-VFADXPBXSA-N 1 0 362.426 2.946 20 5 FFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@]1(c2cnn(C)c2)CCCO1 ZINC000898056005 982602343 /nfs/dbraw/zinc/60/23/43/982602343.db2.gz AYUPOFCTDMXEDL-DNVCBOLYSA-N 1 0 358.442 2.945 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@]1(c2cnn(C)c2)CCCO1 ZINC000898059038 982604404 /nfs/dbraw/zinc/60/44/04/982604404.db2.gz WRFWHUHKUUMPNL-GOSISDBHSA-N 1 0 360.414 2.523 20 5 FFBDRO C[N@H+](CC1CC1)C[C@H]1CCN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000878155572 1014887627 /nfs/dbraw/zinc/88/76/27/1014887627.db2.gz CVCIXCMSUJEAGC-OAHLLOKOSA-N 1 0 371.441 2.809 20 5 FFBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000878155570 1014888251 /nfs/dbraw/zinc/88/82/51/1014888251.db2.gz CVCIXCMSUJEAGC-HNNXBMFYSA-N 1 0 371.441 2.809 20 5 FFBDRO Nc1c(C(=O)N2CCC([NH+]3CCC3)CC2)cc2ccccc2c1[N+](=O)[O-] ZINC000912885689 984144010 /nfs/dbraw/zinc/14/40/10/984144010.db2.gz ZLKCBFUVVGQJQX-UHFFFAOYSA-N 1 0 354.410 2.641 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N3CC[C@H]([NH+]4CCC4)C3)cc2[N+](=O)[O-])CC1 ZINC000912928829 984149729 /nfs/dbraw/zinc/14/97/29/984149729.db2.gz TXNBZNGLUZLFJS-KRWDZBQOSA-N 1 0 372.469 2.751 20 5 FFBDRO C[NH+]1C[C@@]2(C)CN(C(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)C[C@]2(C)C1 ZINC000913280800 984225567 /nfs/dbraw/zinc/22/55/67/984225567.db2.gz GSCXOOSSFQGTMV-IRXDYDNUSA-N 1 0 369.368 2.610 20 5 FFBDRO CC(C)Oc1cc(C(=O)N2C[C@@]3(C)C[NH+](C)C[C@]3(C)C2)ccc1[N+](=O)[O-] ZINC000913273147 984225976 /nfs/dbraw/zinc/22/59/76/984225976.db2.gz DGDJOXDBNIXPRD-RTBURBONSA-N 1 0 361.442 2.796 20 5 FFBDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878603806 1015125880 /nfs/dbraw/zinc/12/58/80/1015125880.db2.gz IENPAEPCSHASIF-WQZURDFPSA-N 1 0 356.382 2.500 20 5 FFBDRO C[N@@H+]1CCN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C[C@H]1C(C)(C)C ZINC000878839158 1015244558 /nfs/dbraw/zinc/24/45/58/1015244558.db2.gz MXSOICGDTGUSJX-HNNXBMFYSA-N 1 0 359.430 2.807 20 5 FFBDRO CNc1c(C(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)cccc1[N+](=O)[O-] ZINC000765851989 986754796 /nfs/dbraw/zinc/75/47/96/986754796.db2.gz HMOLHOMGZCTGSW-UHFFFAOYSA-N 1 0 356.426 2.970 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ncn(CN3CCC[C@@H]3C[NH+]3CCCCC3)n2)cc1 ZINC000151959664 986951916 /nfs/dbraw/zinc/95/19/16/986951916.db2.gz QYXVDVIFVIKOFM-GOSISDBHSA-N 1 0 370.457 2.761 20 5 FFBDRO C[C@@H]1CC2(CCC2)C[N@@H+]1CN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000762147233 988153953 /nfs/dbraw/zinc/15/39/53/988153953.db2.gz XXBMDPXQKYFKLW-ACJLOTCBSA-N 1 0 372.425 2.584 20 5 FFBDRO Cc1c(C(=O)NCC[N@H+]2CC=C(C)CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000762699442 988588076 /nfs/dbraw/zinc/58/80/76/988588076.db2.gz IEPBNKJJFNXMPM-UHFFFAOYSA-N 1 0 362.386 2.502 20 5 FFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[C@H]2C[N@@H+](C/C=C/c3ccccc3)C[C@H]2CC1 ZINC000946589068 988771981 /nfs/dbraw/zinc/77/19/81/988771981.db2.gz DPHYXTGSBAAMKS-UQBRJLPXSA-N 1 0 369.465 2.535 20 5 FFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(CC[N@H+](CC3CCCCCC3)C2)CC1 ZINC001035186578 990400224 /nfs/dbraw/zinc/40/02/24/990400224.db2.gz GISZMZVWKNHGHK-QZTJIDSGSA-N 1 0 363.502 2.937 20 5 FFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2Cc3cccnc3N3CCC[C@@H]3C2)c1 ZINC000879499646 1015564333 /nfs/dbraw/zinc/56/43/33/1015564333.db2.gz AKUMZQADNZFROG-MSOLQXFVSA-N 1 0 354.410 2.508 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@H](O)c2ccccc2C(F)(F)F)cc1 ZINC000918747998 990487888 /nfs/dbraw/zinc/48/78/88/990487888.db2.gz KETYTKUEJNBDMA-CVEARBPZSA-N 1 0 370.327 2.970 20 5 FFBDRO CN1CCN(c2cc[nH+]cc2NC(=S)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000919718310 990715312 /nfs/dbraw/zinc/71/53/12/990715312.db2.gz BBVAQYGVQBEFAE-UHFFFAOYSA-N 1 0 372.454 2.551 20 5 FFBDRO O=C(C[NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000879670912 1015631608 /nfs/dbraw/zinc/63/16/08/1015631608.db2.gz XGDNGHXUDBRVHT-ZIAGYGMSSA-N 1 0 369.343 2.971 20 5 FFBDRO CCC1([NH2+]Cc2ccc(Cl)cc2)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001484812200 991759304 /nfs/dbraw/zinc/75/93/04/991759304.db2.gz OTAJTIZLKTVZKT-HZPDHXFCSA-N 1 0 365.861 2.866 20 5 FFBDRO CC(C)(C)OCCC[NH+]1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000880411669 1015828163 /nfs/dbraw/zinc/82/81/63/1015828163.db2.gz HWZKONOJSOIABJ-UHFFFAOYSA-N 1 0 365.474 2.796 20 5 FFBDRO O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000826752358 1016047531 /nfs/dbraw/zinc/04/75/31/1016047531.db2.gz ZAYJUYNUIWGHFT-IPELMVKDSA-N 1 0 357.454 2.937 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]([C@H](CO)C3CC3)C3CC3)CC2)cc1 ZINC000824846187 997125109 /nfs/dbraw/zinc/12/51/09/997125109.db2.gz QDVXRPJYFBCPHD-UXHICEINSA-N 1 0 359.470 2.950 20 5 FFBDRO O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825400043 997361137 /nfs/dbraw/zinc/36/11/37/997361137.db2.gz ICYZXLVDPYXORM-IBGZPJMESA-N 1 0 369.421 2.905 20 5 FFBDRO C[NH+]1CCN(c2ccc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3)cc2)CC1 ZINC000731457135 997950391 /nfs/dbraw/zinc/95/03/91/997950391.db2.gz UTHJGANRGGETIQ-UHFFFAOYSA-N 1 0 358.373 2.738 20 5 FFBDRO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1)c1ccco1 ZINC000731661484 998116407 /nfs/dbraw/zinc/11/64/07/998116407.db2.gz LWEIUUDHWUIIGH-MRXNPFEDSA-N 1 0 358.398 2.795 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(COC(=O)[C@@H](C(C)C)[NH+]2CCCC2)c1 ZINC000845124875 998387919 /nfs/dbraw/zinc/38/79/19/998387919.db2.gz VGEPWNPJROKNHU-MRXNPFEDSA-N 1 0 364.398 2.545 20 5 FFBDRO COc1nc(C)nc(-n2cc(C[C@@H](C)[NH3+])c3ccc(C)cc32)c1[N+](=O)[O-] ZINC001171167402 998395839 /nfs/dbraw/zinc/39/58/39/998395839.db2.gz YOEATHQVZRWUGX-LLVKDONJSA-N 1 0 355.398 2.844 20 5 FFBDRO O=[N+]([O-])c1cnn(CN2CC[NH+](CCC34CC5CC(CC(C5)C3)C4)CC2)c1 ZINC000732672840 998740097 /nfs/dbraw/zinc/74/00/97/998740097.db2.gz NXLCKLOKWLCWCE-UHFFFAOYSA-N 1 0 373.501 2.973 20 5 FFBDRO Cc1ccc(C)c(C[NH+]2CCC(C3(NC(=O)[C@@H]4C[C@H]4[N+](=O)[O-])CC3)CC2)c1 ZINC001000153876 1016248649 /nfs/dbraw/zinc/24/86/49/1016248649.db2.gz NAOTWOKMSWMBPH-RTBURBONSA-N 1 0 371.481 2.829 20 5 FFBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2F)[C@@H](C)C1 ZINC000734401466 999284323 /nfs/dbraw/zinc/28/43/23/999284323.db2.gz HKJJHSHNKWYUTF-SUMWQHHRSA-N 1 0 367.421 2.601 20 5 FFBDRO COc1ccc([C@H]2[C@@H](COC(=O)c3cc([N+](=O)[O-])cn3C)CC[N@@H+]2C)cc1 ZINC000741120633 999709633 /nfs/dbraw/zinc/70/96/33/999709633.db2.gz JFJQTYCFIOZLFU-KDOFPFPSSA-N 1 0 373.409 2.792 20 5 FFBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000827975042 999740518 /nfs/dbraw/zinc/74/05/18/999740518.db2.gz LXWSFVCCJLBFJW-ZDUSSCGKSA-N 1 0 364.402 2.724 20 5 FFBDRO CC[C@H](C(=O)O[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)[NH+](CC)CC ZINC000745093765 999892363 /nfs/dbraw/zinc/89/23/63/999892363.db2.gz VWDNIPKGGUSIFZ-UKRRQHHQSA-N 1 0 365.430 2.894 20 5 FFBDRO CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168964465 1000012981 /nfs/dbraw/zinc/01/29/81/1000012981.db2.gz SYJIHVAWHQKELU-FIZKIRAISA-N 1 0 353.463 2.667 20 5 FFBDRO CC(C)(C)OC(=O)N1CC[C@H](F)[C@H](C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168975770 1000013798 /nfs/dbraw/zinc/01/37/98/1000013798.db2.gz XBKNROZCEGUHTA-KBXIAJHMSA-N 1 0 359.442 2.617 20 5 FFBDRO O=C1c2ccccc2CN1[C@H]1CC[C@H]([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168998127 1000014167 /nfs/dbraw/zinc/01/41/67/1000014167.db2.gz IOLISOZARYUEHP-DKIMLUQUSA-N 1 0 357.454 2.989 20 5 FFBDRO COc1cc(NC(=O)C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)cc2ccccc21 ZINC001169004959 1000015115 /nfs/dbraw/zinc/01/51/15/1000015115.db2.gz SROGNQZGEPBUEQ-UKRRQHHQSA-N 1 0 357.410 2.822 20 5 FFBDRO Cc1ccc(N2C[C@]3(CC[N@@H+]([C@H]4CC[C@H](C[N+](=O)[O-])C4)C3)CC2=O)cc1 ZINC001169030281 1000016114 /nfs/dbraw/zinc/01/61/14/1000016114.db2.gz XWLBPDBIYOJUJE-XKGZKEIXSA-N 1 0 357.454 2.869 20 5 FFBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCC[C@@]3(C[C@@H](Oc4ccccn4)CO3)C2)C1 ZINC001169030393 1000016205 /nfs/dbraw/zinc/01/62/05/1000016205.db2.gz ZKMNCYJJLSMMCP-SFNKJDCFSA-N 1 0 361.442 2.529 20 5 FFBDRO COc1ccc(Cl)cc1N1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169037553 1000016617 /nfs/dbraw/zinc/01/66/17/1000016617.db2.gz SKMIGYVYUVHDAW-HIFRSBDPSA-N 1 0 353.850 2.916 20 5 FFBDRO CCOC[C@@H]1C[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)Cc2cnn(CC3CC3)c21 ZINC001169018263 1000017310 /nfs/dbraw/zinc/01/73/10/1000017310.db2.gz AJHDBIKSNIBXSZ-SZMVWBNQSA-N 1 0 362.474 2.674 20 5 FFBDRO Cc1ccc(N2C[C@]3(CC[N@@H+]([C@H]4CC[C@@H](C[N+](=O)[O-])C4)C3)CC2=O)s1 ZINC001169020115 1000017572 /nfs/dbraw/zinc/01/75/72/1000017572.db2.gz IHYJSKMSQPNCNN-RVKKMQEKSA-N 1 0 363.483 2.931 20 5 FFBDRO Cc1cccc(N2C[C@]3(CC[N@@H+]([C@@H]4CC[C@@H](C[N+](=O)[O-])C4)C3)CC2=O)c1 ZINC001169020007 1000017627 /nfs/dbraw/zinc/01/76/27/1000017627.db2.gz HMWCLFIDEQDHFD-MBOZVWFJSA-N 1 0 357.454 2.869 20 5 FFBDRO O=C1NC2(C[C@@H]1c1ccccc1)CC[NH+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169022938 1000017822 /nfs/dbraw/zinc/01/78/22/1000017822.db2.gz NRSDERPGEAOMQP-CGTJXYLNSA-N 1 0 357.454 2.570 20 5 FFBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2CCCC3(CCN(c4ncccn4)CC3)C2)C1 ZINC001169022268 1000017836 /nfs/dbraw/zinc/01/78/36/1000017836.db2.gz RLRKVYGVOWXDKG-IRXDYDNUSA-N 1 0 359.474 2.604 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000770501612 1000802710 /nfs/dbraw/zinc/80/27/10/1000802710.db2.gz RJYNWYPTEBZKJN-OAQYLSRUSA-N 1 0 366.465 2.991 20 5 FFBDRO COc1ccc(C[N@@H+]2CCCN(c3ccc(N)cc3[N+](=O)[O-])CC2)cc1 ZINC000786573488 1001610854 /nfs/dbraw/zinc/61/08/54/1001610854.db2.gz AHEAMWPXKLEPSH-UHFFFAOYSA-N 1 0 356.426 2.898 20 5 FFBDRO CCC[NH+]1CCC(Nc2c(C(=O)OC)cc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000746715211 1001731978 /nfs/dbraw/zinc/73/19/78/1001731978.db2.gz IFOIVNOBYIMRCY-UHFFFAOYSA-N 1 0 366.374 2.576 20 5 FFBDRO Cc1c(CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)cccc1[N+](=O)[O-] ZINC000788469134 1001807579 /nfs/dbraw/zinc/80/75/79/1001807579.db2.gz NTVGKWYEVUOQEJ-PMACEKPBSA-N 1 0 369.465 2.876 20 5 FFBDRO COc1ccccc1[C@H](CO)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000773006219 1001925193 /nfs/dbraw/zinc/92/51/93/1001925193.db2.gz COVWZQFYBWBKDU-IBGZPJMESA-N 1 0 371.437 2.895 20 5 FFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1COC2(CCCC2)O1 ZINC000774480297 1001925979 /nfs/dbraw/zinc/92/59/79/1001925979.db2.gz VKEUYMZFCGLJHX-BBRMVZONSA-N 1 0 363.414 2.587 20 5 FFBDRO COc1ccccc1N1CC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)C1=O ZINC000790544398 1002421447 /nfs/dbraw/zinc/42/14/47/1002421447.db2.gz XFMKASZTBLNPJX-HNNXBMFYSA-N 1 0 355.394 2.807 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)CN2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000791623347 1002748417 /nfs/dbraw/zinc/74/84/17/1002748417.db2.gz TVWBGHFXGLMKHU-ZVDOUQERSA-N 1 0 367.449 2.692 20 5 FFBDRO Cc1c([N+](=O)[O-])cc(C(=O)NCC(C)(C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000792521877 1003022024 /nfs/dbraw/zinc/02/20/24/1003022024.db2.gz SJZHGHBGTVZKTC-UHFFFAOYSA-N 1 0 364.402 2.663 20 5 FFBDRO COc1ccc(C[C@@H](C)[NH2+][C@@H]2CCc3[nH]c(=O)ccc3C2)c([N+](=O)[O-])c1 ZINC001170295172 1003088489 /nfs/dbraw/zinc/08/84/89/1003088489.db2.gz AGDYPQCTBGKIHR-IUODEOHRSA-N 1 0 357.410 2.782 20 5 FFBDRO COC(=O)c1csc(C[NH2+][C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])n1 ZINC001170298340 1003091181 /nfs/dbraw/zinc/09/11/81/1003091181.db2.gz JFNHCCKWKWPXLM-SNVBAGLBSA-N 1 0 365.411 2.567 20 5 FFBDRO COc1ccc(C[C@H](C)[NH2+][C@@H]2CCCC3(C2)OCCO3)c([N+](=O)[O-])c1 ZINC001170317770 1003108219 /nfs/dbraw/zinc/10/82/19/1003108219.db2.gz LHQXLAMGRTXSRF-DZGCQCFKSA-N 1 0 350.415 2.810 20 5 FFBDRO COC(=O)[C@@H]1CCC[C@H]([NH2+][C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170328846 1003114391 /nfs/dbraw/zinc/11/43/91/1003114391.db2.gz WMDOEHOAVLYUDD-YUELXQCFSA-N 1 0 350.415 2.856 20 5 FFBDRO COc1ccc(C[C@H](C)[NH2+]Cc2cncn2C2CCOCC2)c([N+](=O)[O-])c1 ZINC001170328805 1003114713 /nfs/dbraw/zinc/11/47/13/1003114713.db2.gz VKTVHBXBDHMDET-AWEZNQCLSA-N 1 0 374.441 2.872 20 5 FFBDRO CCOC(=O)NC1CC[NH+]([C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC001170353815 1003121420 /nfs/dbraw/zinc/12/14/20/1003121420.db2.gz FPDREXIYTUQAKI-CYBMUJFWSA-N 1 0 365.430 2.745 20 5 FFBDRO COC(=O)[C@H]1C[C@H]2C[C@@H](C1)[N@@H+]([C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])C2 ZINC001170353112 1003121825 /nfs/dbraw/zinc/12/18/25/1003121825.db2.gz VXFZRYKWLWLLJO-VRKREXBASA-N 1 0 362.426 2.808 20 5 FFBDRO CCC(=O)N(C)C1CC[NH+]([C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC001170354838 1003122390 /nfs/dbraw/zinc/12/23/90/1003122390.db2.gz QBUUHMQDBZCRSD-AWEZNQCLSA-N 1 0 363.458 2.867 20 5 FFBDRO COc1ccc(C[C@H](C)[N@@H+]2CCc3cnc(OC)cc3C2)c([N+](=O)[O-])c1 ZINC001170356075 1003122967 /nfs/dbraw/zinc/12/29/67/1003122967.db2.gz WFQQJNSFWKIRMM-ZDUSSCGKSA-N 1 0 357.410 2.996 20 5 FFBDRO COc1ccc(C[C@H](C)[N@@H+]2CC[C@@H](Oc3nccnc3C)C2)c([N+](=O)[O-])c1 ZINC001170354837 1003123262 /nfs/dbraw/zinc/12/32/62/1003123262.db2.gz QBKAVSZTJNUSBE-SUMWQHHRSA-N 1 0 372.425 2.786 20 5 FFBDRO CC1(C)[C@H]([NH2+]Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)[C@H]2CCCO[C@H]21 ZINC001170386036 1003138478 /nfs/dbraw/zinc/13/84/78/1003138478.db2.gz LXRPJFOWRMPEHJ-DAXOMENPSA-N 1 0 358.398 2.938 20 5 FFBDRO CN(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H](CC(N)=O)c1ccccc1 ZINC000792881396 1003217937 /nfs/dbraw/zinc/21/79/37/1003217937.db2.gz MCEQVCDTOYXFLN-HNNXBMFYSA-N 1 0 358.354 2.552 20 5 FFBDRO CN(CCn1cc([N+](=O)[O-])cn1)Cc1ccc(Br)cc1F ZINC001196692792 1003934671 /nfs/dbraw/zinc/93/46/71/1003934671.db2.gz DTSWWNWFTXZNHY-UHFFFAOYSA-N 1 0 357.183 2.825 20 5 FFBDRO C[C@@]1(CO)CCC[N@@H+]1Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001193211408 1004404926 /nfs/dbraw/zinc/40/49/26/1004404926.db2.gz VTCQAVDCPFPLQR-HNNXBMFYSA-N 1 0 352.778 2.645 20 5 FFBDRO COC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000775814081 1004459624 /nfs/dbraw/zinc/45/96/24/1004459624.db2.gz DXVWDNXELMVOFF-NEPJUHHUSA-N 1 0 362.386 2.693 20 5 FFBDRO CN(CCC[N@H+](C)Cc1ccncc1)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000808273055 1004794897 /nfs/dbraw/zinc/79/48/97/1004794897.db2.gz VWAHLBZLTBAVRK-RMKNXTFCSA-N 1 0 368.437 2.984 20 5 FFBDRO COc1ccc(NC(=O)N[C@@H](CC[NH+](C)C)c2cccnc2)cc1[N+](=O)[O-] ZINC001202425628 1005348367 /nfs/dbraw/zinc/34/83/67/1005348367.db2.gz RVGYEUAGOXRQMW-HNNXBMFYSA-N 1 0 373.413 2.813 20 5 FFBDRO Cc1cc(C[N@H+](CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C2CC2)c(C)s1 ZINC001490372924 1005701440 /nfs/dbraw/zinc/70/14/40/1005701440.db2.gz YBMFTXDZVWKXBK-HZPDHXFCSA-N 1 0 351.472 2.501 20 5 FFBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[N@H+](C)Cc1ccccc1 ZINC000110349684 1005931154 /nfs/dbraw/zinc/93/11/54/1005931154.db2.gz IPZGDPYAGZHPIJ-ZDUSSCGKSA-N 1 0 372.381 2.753 20 5 FFBDRO O=[N+]([O-])c1ccccc1C[N@@H+](C[C@@H](O)c1ccccn1)[C@H]1CC[C@H](O)CC1 ZINC000852204639 1005950734 /nfs/dbraw/zinc/95/07/34/1005950734.db2.gz QBDSIBDMHSTQQR-MBOZVWFJSA-N 1 0 371.437 2.829 20 5 FFBDRO CC[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C[C@@H]1COc2ccccc2O1 ZINC000776574160 1005952835 /nfs/dbraw/zinc/95/28/35/1005952835.db2.gz DPWFYMLVCMFYSK-IAGOWNOFSA-N 1 0 358.394 2.790 20 5 FFBDRO COC(=O)[C@H](C)C[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776583026 1005954429 /nfs/dbraw/zinc/95/44/29/1005954429.db2.gz YQCPWEIBFLBEKX-DNVCBOLYSA-N 1 0 372.421 2.940 20 5 FFBDRO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776580742 1005962129 /nfs/dbraw/zinc/96/21/29/1005962129.db2.gz ZHVKUBLQBCEJRC-YXJHDRRASA-N 1 0 363.458 2.645 20 5 FFBDRO CC(C)(C)C(=O)NC[C@H]1CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776582264 1005963032 /nfs/dbraw/zinc/96/30/32/1005963032.db2.gz NPGYJZFWJWALEB-PBHICJAKSA-N 1 0 363.458 2.503 20 5 FFBDRO C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)CC(C)(C)NC(=O)OC(C)(C)C ZINC000852306406 1005969719 /nfs/dbraw/zinc/96/97/19/1005969719.db2.gz DQDOSASPDLHYCE-HNNXBMFYSA-N 1 0 367.446 2.863 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@H+](CCc2ccccc2)[C@H]2CCOC2)cc1 ZINC000776590372 1006001888 /nfs/dbraw/zinc/00/18/88/1006001888.db2.gz DBYIJSHMEOJQNN-VQTJNVASSA-N 1 0 356.422 2.962 20 5 FFBDRO COC(=O)[C@@H]1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@H]2CCCC[C@H]12 ZINC000852496924 1006054187 /nfs/dbraw/zinc/05/41/87/1006054187.db2.gz SKSKMGHBXRSDAI-BDXSIMOUSA-N 1 0 362.426 2.682 20 5 FFBDRO C[C@@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(-n2ccnn2)cc1 ZINC000776606486 1006103114 /nfs/dbraw/zinc/10/31/14/1006103114.db2.gz XGPKSSUAFPHVKE-ACJLOTCBSA-N 1 0 353.382 2.560 20 5 FFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CC[NH+](Cc1ccc(C3CC3)cc1)CC2 ZINC001050516731 1017036002 /nfs/dbraw/zinc/03/60/02/1017036002.db2.gz IFLBSRSVKVXBNB-RTBURBONSA-N 1 0 369.465 2.654 20 5 FFBDRO CC(C)(C)OC(=O)[C@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000853133312 1006307581 /nfs/dbraw/zinc/30/75/81/1006307581.db2.gz JETNSQSEMMCIAZ-IAGOWNOFSA-N 1 0 364.442 2.976 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H](c2ccncc2)C2(CO)CCC2)cc1 ZINC000853134552 1006309078 /nfs/dbraw/zinc/30/90/78/1006309078.db2.gz WIXHOVYSQVSQSQ-ROUUACIJSA-N 1 0 357.410 2.517 20 5 FFBDRO Cc1cc(S(=O)(=O)N(CC[NH+](C)C)C2CCCC2)c(F)cc1[N+](=O)[O-] ZINC001187996527 1006358596 /nfs/dbraw/zinc/35/85/96/1006358596.db2.gz AVNJSRPYVDMZNB-UHFFFAOYSA-N 1 0 373.450 2.537 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(CC[NH+](C)C)C2CCCC2)cc1F ZINC001187996557 1006359253 /nfs/dbraw/zinc/35/92/53/1006359253.db2.gz BIVSFRYUDJBREK-UHFFFAOYSA-N 1 0 373.450 2.537 20 5 FFBDRO O=[N+]([O-])c1cn(CN2CCC[N@@H+](C3CCCC3)CC2)nc1-c1ccccn1 ZINC000853498903 1006415530 /nfs/dbraw/zinc/41/55/30/1006415530.db2.gz QZVHUQIDDMLQLI-UHFFFAOYSA-N 1 0 370.457 2.761 20 5 FFBDRO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000854333494 1006782014 /nfs/dbraw/zinc/78/20/14/1006782014.db2.gz RIPKODUTLYJISL-WBYGGXTKSA-N 1 0 373.453 2.711 20 5 FFBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC([N@H+]2CCOC[C@H]2C)CC1 ZINC000854570038 1006896667 /nfs/dbraw/zinc/89/66/67/1006896667.db2.gz NTYOQVBTRSYOHI-QJPKHSJYSA-N 1 0 373.453 2.710 20 5 FFBDRO CCc1ccc([C@@H](CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)[NH+](C)C)cc1 ZINC000010139255 1007231152 /nfs/dbraw/zinc/23/11/52/1007231152.db2.gz OPVPBJPYGDXIGO-GOSISDBHSA-N 1 0 356.426 2.772 20 5 FFBDRO CC(C)[N@H+](C)Cc1cc(O[C@@H]2CCN(c3ccc([N+](=O)[O-])cn3)C2)ccn1 ZINC000856535886 1007874437 /nfs/dbraw/zinc/87/44/37/1007874437.db2.gz IUDJICZNFXRQFJ-GOSISDBHSA-N 1 0 371.441 2.883 20 5 FFBDRO [NH3+][C@H]1CCCCCC[C@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000818476632 1007921108 /nfs/dbraw/zinc/92/11/08/1007921108.db2.gz VWWSHVOPWMOUQV-MSOLQXFVSA-N 1 0 360.458 2.541 20 5 FFBDRO Cc1c(C(=O)N2CC[NH2+]C[C@H]2c2ccccc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000818612165 1007951209 /nfs/dbraw/zinc/95/12/09/1007951209.db2.gz OJBCEALNRDICTQ-KRWDZBQOSA-N 1 0 370.365 2.598 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]Cc2ccnc(OCC(F)(F)F)c2)c1 ZINC000818957467 1007995211 /nfs/dbraw/zinc/99/52/11/1007995211.db2.gz WFJPMFQIAUMTMO-CQSZACIVSA-N 1 0 371.315 2.754 20 5 FFBDRO Cc1ccc(NCCC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)c([N+](=O)[O-])c1 ZINC000819093331 1008032428 /nfs/dbraw/zinc/03/24/28/1008032428.db2.gz NLDKOCMUDHAXQK-GOSISDBHSA-N 1 0 374.397 2.937 20 5 FFBDRO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819071931 1008036741 /nfs/dbraw/zinc/03/67/41/1008036741.db2.gz FGFSLOHVTDWUCI-ZBFHGGJFSA-N 1 0 365.430 2.617 20 5 FFBDRO CC(C)[C@@H](C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)NC(=O)OC(C)(C)C ZINC000819077388 1008038817 /nfs/dbraw/zinc/03/88/17/1008038817.db2.gz KFWJIUYGUMSENP-HZPDHXFCSA-N 1 0 367.446 2.767 20 5 FFBDRO Cc1ccc(N2CCC[C@@H]([NH2+]C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000819111813 1008046906 /nfs/dbraw/zinc/04/69/06/1008046906.db2.gz VYCKYJRKTNDMSB-RTBURBONSA-N 1 0 369.421 2.722 20 5 FFBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC001136379079 1008377564 /nfs/dbraw/zinc/37/75/64/1008377564.db2.gz UHAYSLSXGLAFTE-GRYCIOLGSA-N 1 0 368.865 2.927 20 5 FFBDRO CCC1([NH+]2CCC2)CCN([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000886712868 1008839046 /nfs/dbraw/zinc/83/90/46/1008839046.db2.gz OFZMCAXIYIOSLH-OAHLLOKOSA-N 1 0 360.458 2.872 20 5 FFBDRO CCc1ccc(CC[NH2+]CCCCCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001178464475 1008998811 /nfs/dbraw/zinc/99/88/11/1008998811.db2.gz SUDVXKJAWYZSRN-RTBURBONSA-N 1 0 361.486 2.723 20 5 FFBDRO O=C(NCCCCCC[NH2+]CC1CCC(F)(F)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001178464193 1008998858 /nfs/dbraw/zinc/99/88/58/1008998858.db2.gz PQYQQFXEQLRDMP-HUUCEWRRSA-N 1 0 361.433 2.743 20 5 FFBDRO C[N@H+](CCCO)C1CCN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)CC1 ZINC000860444533 1009006128 /nfs/dbraw/zinc/00/61/28/1009006128.db2.gz BONUIQOCCAVKRU-UHFFFAOYSA-N 1 0 371.437 2.667 20 5 FFBDRO Cc1cnc(CC[NH2+]Cc2c(Br)cccc2[N+](=O)[O-])cn1 ZINC001178882113 1009167042 /nfs/dbraw/zinc/16/70/42/1009167042.db2.gz RIPASTYVAIFKIM-UHFFFAOYSA-N 1 0 351.204 2.788 20 5 FFBDRO C[C@H]1C[C@H](C)CN(c2ccc(C(=O)N(C)C3CC[NH2+]CC3)cc2[N+](=O)[O-])C1 ZINC000125493526 1009197377 /nfs/dbraw/zinc/19/73/77/1009197377.db2.gz CNEFRWFIABXKOJ-GJZGRUSLSA-N 1 0 374.485 2.901 20 5 FFBDRO CC[NH+](CC)Cc1ccc(CNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000823966374 1009283290 /nfs/dbraw/zinc/28/32/90/1009283290.db2.gz MKEKHTHNLVLTDM-LJQANCHMSA-N 1 0 371.437 2.786 20 5 FFBDRO C[NH+](C)CCN(CCc1ccccc1)C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000824003087 1009290210 /nfs/dbraw/zinc/29/02/10/1009290210.db2.gz OJOHPTIFKBUCPZ-UHFFFAOYSA-N 1 0 371.441 2.815 20 5 FFBDRO COC[C@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)c1ccc(C)o1 ZINC000130411597 1009334752 /nfs/dbraw/zinc/33/47/52/1009334752.db2.gz JZYLDMDSFNVKHV-HNNXBMFYSA-N 1 0 365.361 2.941 20 5 FFBDRO C[C@H]1Cc2cc(C[N@@H+]3CC[C@H](Nc4ccc([N+](=O)[O-])cn4)C3)ccc2O1 ZINC001179937395 1009497088 /nfs/dbraw/zinc/49/70/88/1009497088.db2.gz LWLWOWHNJGRQDE-BBRMVZONSA-N 1 0 354.410 3.000 20 5 FFBDRO O=C(NC[C@H]1CC[N@@H+]1C1CCCCC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000862631964 1009910236 /nfs/dbraw/zinc/91/02/36/1009910236.db2.gz ZFNXANRXJZCWKU-CQSZACIVSA-N 1 0 362.386 2.640 20 5 FFBDRO C[N@@H+]1CCCC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 ZINC000862790208 1009976321 /nfs/dbraw/zinc/97/63/21/1009976321.db2.gz QKHABBMTAGZLAD-OAHLLOKOSA-N 1 0 360.458 2.657 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c1C ZINC000889655343 1010041684 /nfs/dbraw/zinc/04/16/84/1010041684.db2.gz KKDIHSINUNJAOF-BFYDXBDKSA-N 1 0 361.442 2.535 20 5 FFBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)CCNC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000794464416 1010043658 /nfs/dbraw/zinc/04/36/58/1010043658.db2.gz PFYYSIPXTRKYMR-ZFWWWQNUSA-N 1 0 367.446 2.830 20 5 FFBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 ZINC000119385905 1010157191 /nfs/dbraw/zinc/15/71/91/1010157191.db2.gz KNOOFJRZXXHOIE-INIZCTEOSA-N 1 0 374.485 2.903 20 5 FFBDRO Cc1cc(F)cc(C(=O)Nc2cccc(C[N@@H+]3CC[C@H](O)C3)c2)c1[N+](=O)[O-] ZINC000794562716 1010335506 /nfs/dbraw/zinc/33/55/06/1010335506.db2.gz ADWQKRIHKHBTHG-INIZCTEOSA-N 1 0 373.384 2.861 20 5 FFBDRO O=[N+]([O-])c1cccnc1N1CC[NH+](C[C@H]2CCc3ccccc3C2)CC1 ZINC001182204333 1010423512 /nfs/dbraw/zinc/42/35/12/1010423512.db2.gz PPJAUQRHGXLUTC-INIZCTEOSA-N 1 0 352.438 2.917 20 5 FFBDRO C[C@H]([NH2+]CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 ZINC000119961144 1010443793 /nfs/dbraw/zinc/44/37/93/1010443793.db2.gz VPOPSCNKACTCQA-INIZCTEOSA-N 1 0 368.437 2.594 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@@H](O)c2c(F)cccc2F)n1 ZINC000774252294 1010535853 /nfs/dbraw/zinc/53/58/53/1010535853.db2.gz LEAMNIUFGQRQFP-RBSFLKMASA-N 1 0 366.368 2.876 20 5 FFBDRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000864956648 1010653080 /nfs/dbraw/zinc/65/30/80/1010653080.db2.gz LEOHNYLTBIVPGL-INIZCTEOSA-N 1 0 359.401 2.566 20 5 FFBDRO C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)NC(=O)OC(C)(C)C ZINC000794823531 1010742830 /nfs/dbraw/zinc/74/28/30/1010742830.db2.gz FNDMFFPPYPUFAV-MCIONIFRSA-N 1 0 367.450 2.778 20 5 FFBDRO C[NH+](C)C1(C)CCC(N2C(=O)N[C@](C)(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000865321921 1010762205 /nfs/dbraw/zinc/76/22/05/1010762205.db2.gz PGLVFQRGBWHNKH-DNOPENIRSA-N 1 0 374.441 2.625 20 5 FFBDRO Cc1nn(C)c(N2Cc3ccccc3C3(CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000866017063 1010907989 /nfs/dbraw/zinc/90/79/89/1010907989.db2.gz DWJDBNPHRNRSLT-UHFFFAOYSA-N 1 0 355.442 2.620 20 5 FFBDRO CNC(=O)c1cccc(CC[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])c1 ZINC000866270485 1010966337 /nfs/dbraw/zinc/96/63/37/1010966337.db2.gz PAUUINHKOCVJJP-CYBMUJFWSA-N 1 0 359.401 2.857 20 5 FFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CCO[C@@H](c2nccn2C)C1 ZINC000866368454 1010984657 /nfs/dbraw/zinc/98/46/57/1010984657.db2.gz CIIOEVPVPRYGRZ-SRCQZFHVSA-N 1 0 362.405 2.908 20 5 FFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1C[C@H]1C1CCOCC1 ZINC000866536783 1011013466 /nfs/dbraw/zinc/01/34/66/1011013466.db2.gz HWSAMGSSLRKZJH-YEWWUXTCSA-N 1 0 361.442 2.964 20 5 FFBDRO C[C@]([NH3+])(C(=O)N[C@H](Cc1ccccc1)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000867944880 1011127552 /nfs/dbraw/zinc/12/75/52/1011127552.db2.gz KNSSJDJXCYWYOW-UYAOXDASSA-N 1 0 353.422 2.906 20 5 FFBDRO C[C@@](N)(C(=O)N1CCCN(c2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000867958008 1011131795 /nfs/dbraw/zinc/13/17/95/1011131795.db2.gz FRYNQVJPZYXCEZ-FQEVSTJZSA-N 1 0 368.437 2.508 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@@H]1CCN(c3ccncn3)C1)CC2 ZINC001172906925 1012077153 /nfs/dbraw/zinc/07/71/53/1012077153.db2.gz ZARFQUKOBIAOLT-DLBZAZTESA-N 1 0 353.426 2.501 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]Cc1cccc(OC3COC3)n1)CC2 ZINC001172903133 1012077750 /nfs/dbraw/zinc/07/77/50/1012077750.db2.gz FGRZVKCNZATJDK-MRXNPFEDSA-N 1 0 369.421 2.805 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@H]1CCN(C3CCOCC3)C1)CC2 ZINC001172902770 1012078140 /nfs/dbraw/zinc/07/81/40/1012078140.db2.gz CBWOACRHZPDUPY-ROUUACIJSA-N 1 0 359.470 2.685 20 5 FFBDRO CCOC(=O)c1cn([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)nc1C[NH3+] ZINC001172907631 1012079447 /nfs/dbraw/zinc/07/94/47/1012079447.db2.gz HEOUPBYEZOIAMU-AWEZNQCLSA-N 1 0 358.398 2.547 20 5 FFBDRO O=C(C1CCC1)N1CC[NH+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172920233 1012102212 /nfs/dbraw/zinc/10/22/12/1012102212.db2.gz JCLBJGWMSOSLBK-SFHVURJKSA-N 1 0 357.454 2.787 20 5 FFBDRO CN(C)C1=NOC2(C1)CC[NH+]([C@H]1CCc3ccc([N+](=O)[O-])cc3CC1)CC2 ZINC001172910294 1012123244 /nfs/dbraw/zinc/12/32/44/1012123244.db2.gz XRCBSUORGMCKCD-KRWDZBQOSA-N 1 0 372.469 2.972 20 5 FFBDRO CC1(C)[C@H](O)C[C@H]1[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173008823 1012176396 /nfs/dbraw/zinc/17/63/96/1012176396.db2.gz GYJJZMQRUIPWJS-HUUCEWRRSA-N 1 0 355.385 2.591 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH2+][C@H]3CCC[C@@H](O)C3)CC2)c(F)c1 ZINC001173008348 1012176992 /nfs/dbraw/zinc/17/69/92/1012176992.db2.gz UYTIBOSDJSXNRS-GXTWGEPZSA-N 1 0 355.385 2.735 20 5 FFBDRO C[C@@H]1CC[C@@H](O)C[N@@H+]1C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173009342 1012179109 /nfs/dbraw/zinc/17/91/09/1012179109.db2.gz BHMYZMMKPVGYHF-BXUZGUMPSA-N 1 0 355.385 2.687 20 5 FFBDRO C[C@@H]1CC[C@@H](CO)C[N@@H+]1C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173009335 1012179591 /nfs/dbraw/zinc/17/95/91/1012179591.db2.gz BHHSUEARBCVSLM-CHWSQXEVSA-N 1 0 369.412 2.935 20 5 FFBDRO CC1(O)CC[NH+](C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)CC1 ZINC001173009313 1012179940 /nfs/dbraw/zinc/17/99/40/1012179940.db2.gz AZYRZDOODNFYAR-UHFFFAOYSA-N 1 0 355.385 2.689 20 5 FFBDRO CO[C@H]1C[N@@H+](C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)C[C@@H]1F ZINC001173010722 1012181908 /nfs/dbraw/zinc/18/19/08/1012181908.db2.gz YATDBPJFMRJZII-GJZGRUSLSA-N 1 0 359.348 2.511 20 5 FFBDRO CO[C@@H]1C[N@@H+](C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)C[C@@H]1F ZINC001173010724 1012182320 /nfs/dbraw/zinc/18/23/20/1012182320.db2.gz YATDBPJFMRJZII-LSDHHAIUSA-N 1 0 359.348 2.511 20 5 FFBDRO CN1CCCC[C@@H]1C[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173012365 1012185002 /nfs/dbraw/zinc/18/50/02/1012185002.db2.gz RIIUMLMQCONNGR-CQSZACIVSA-N 1 0 368.428 2.916 20 5 FFBDRO C[N@H+](Cc1cnccn1)C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173018369 1012190207 /nfs/dbraw/zinc/19/02/07/1012190207.db2.gz SAEBQAZNQYXCAW-UHFFFAOYSA-N 1 0 363.368 2.764 20 5 FFBDRO COC(=O)CC1CC[NH+]([C@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])CC1 ZINC001173179790 1012321980 /nfs/dbraw/zinc/32/19/80/1012321980.db2.gz GUXBXPSOERGQGX-GFCCVEGCSA-N 1 0 368.405 2.949 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@@H](CC(C)C)C(=O)N(C)C)c1F ZINC001173178736 1012322397 /nfs/dbraw/zinc/32/23/97/1012322397.db2.gz HZEURGNDRXNQOP-JSGCOSHPSA-N 1 0 369.437 2.766 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+](C)C2CCN(C(C)=O)CC2)c1F ZINC001173188107 1012329202 /nfs/dbraw/zinc/32/92/02/1012329202.db2.gz CMUOAYXHGDKBLT-LBPRGKRZSA-N 1 0 367.421 2.616 20 5 FFBDRO COC(=O)[C@H]1CCC[N@@H+]([C@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C1 ZINC001173185909 1012330158 /nfs/dbraw/zinc/33/01/58/1012330158.db2.gz QAQJIZYDRHVNLA-NEPJUHHUSA-N 1 0 354.378 2.559 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CC[C@@H]([NH+]3CCCC3)C2)c1F ZINC001173189646 1012330830 /nfs/dbraw/zinc/33/08/30/1012330830.db2.gz LLDFNGAHVSUEPY-UONOGXRCSA-N 1 0 351.422 2.844 20 5 FFBDRO CCC[NH+]1C[C@@H]2CN([C@H](C)Cc3c(F)c(OC)ccc3[N+](=O)[O-])C[C@H]2C1 ZINC001173191320 1012332539 /nfs/dbraw/zinc/33/25/39/1012332539.db2.gz BXZMNNKEJKGIPV-RBSFLKMASA-N 1 0 365.449 2.947 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CC[C@]3(CC[N@H+](C)C3)C2)c1F ZINC001173192459 1012335957 /nfs/dbraw/zinc/33/59/57/1012335957.db2.gz LDFMQNNHLZSCTN-UGSOOPFHSA-N 1 0 351.422 2.701 20 5 FFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](CO)Cc1ccc(F)cc1F ZINC001173224429 1012356791 /nfs/dbraw/zinc/35/67/91/1012356791.db2.gz FSOITVJEGFNZGR-LRDDRELGSA-N 1 0 350.365 2.997 20 5 FFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CC2(CN(c3ccccc3)C2=O)C1 ZINC001173225419 1012358279 /nfs/dbraw/zinc/35/82/79/1012358279.db2.gz BZYIMUQNWJBGMD-OAHLLOKOSA-N 1 0 351.406 2.875 20 5 FFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001173209584 1012368539 /nfs/dbraw/zinc/36/85/39/1012368539.db2.gz DFAXVFXXOBITIR-SJWGOKEGSA-N 1 0 361.442 2.981 20 5 FFBDRO CCCNC(=O)COC1CC[NH+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173238147 1012384493 /nfs/dbraw/zinc/38/44/93/1012384493.db2.gz OAKDZMPMQGCXOG-OAHLLOKOSA-N 1 0 363.458 2.533 20 5 FFBDRO COc1cc(N([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C2CC[NH2+]CC2)ncn1 ZINC001173238162 1012384767 /nfs/dbraw/zinc/38/47/67/1012384767.db2.gz OEWOWTOACFBGJN-AWEZNQCLSA-N 1 0 371.441 2.583 20 5 FFBDRO CCn1cc([N+](=O)[O-])c(C(=O)OC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000870667156 1012519390 /nfs/dbraw/zinc/51/93/90/1012519390.db2.gz TYOWRCOHUWZFMZ-ZBFHGGJFSA-N 1 0 372.425 2.736 20 5 FFBDRO C[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CCC1(C)C ZINC000871150570 1012750260 /nfs/dbraw/zinc/75/02/60/1012750260.db2.gz PJPWFLRJWATFEX-UHFFFAOYSA-N 1 0 360.458 2.751 20 5 FFBDRO C[C@H]1CCCC[N@@H+]1C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001173697729 1012903066 /nfs/dbraw/zinc/90/30/66/1012903066.db2.gz WHOSVEOZSWQMDW-AWEZNQCLSA-N 1 0 367.471 2.622 20 5 FFBDRO C[C@@H](NC(=O)N1CCN(c2cc[nH+]cc2)C[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000925253550 1017680387 /nfs/dbraw/zinc/68/03/87/1017680387.db2.gz YTXNKZDRZKRLEH-LSDHHAIUSA-N 1 0 369.425 2.971 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H]1CCc2ccccc2OC1 ZINC000801570719 1019127263 /nfs/dbraw/zinc/12/72/63/1019127263.db2.gz IITYWKDONJKOJJ-HNNXBMFYSA-N 1 0 355.394 2.825 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCC[C@@](CO)(c3ccccc3)C2)cc1 ZINC000801580569 1019137428 /nfs/dbraw/zinc/13/74/28/1019137428.db2.gz MZRAKPHZTQPLOD-VQTJNVASSA-N 1 0 356.422 2.654 20 5 FFBDRO C[NH+](C)CC[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC000928832322 1019146107 /nfs/dbraw/zinc/14/61/07/1019146107.db2.gz SKYYKMRVBOUCFE-IPMKNSEASA-N 1 0 368.437 2.903 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000777737471 1019219775 /nfs/dbraw/zinc/21/97/75/1019219775.db2.gz POKMAXLLZKUCTQ-LJQANCHMSA-N 1 0 373.384 2.574 20 5 FFBDRO CC(C)(C)OC(=O)N1CCC(N(CC[N+](=O)[O-])Cc2ccccn2)CC1 ZINC000930805152 1020194056 /nfs/dbraw/zinc/19/40/56/1020194056.db2.gz CTQJKFIDEASIBU-UHFFFAOYSA-N 1 0 364.446 2.560 20 5 FFBDRO Cc1cccc(C[NH2+]C[C@H]2CC[C@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 ZINC001048607488 1020349959 /nfs/dbraw/zinc/34/99/59/1020349959.db2.gz DWAXJYFKUAYHCT-PSBWJHGTSA-N 1 0 359.470 2.672 20 5 FFBDRO O=C(NC[C@H]1CC[C@H](C[NH2+]Cc2ccccc2F)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001048607885 1020351525 /nfs/dbraw/zinc/35/15/25/1020351525.db2.gz QBYVQBVMFHGLCP-GZOSKZMVSA-N 1 0 363.433 2.503 20 5 FFBDRO O=C(CC[N@@H+]1CCC[C@H]1[C@@H]1CCCOC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000828904062 1032898895 /nfs/dbraw/zinc/89/88/95/1032898895.db2.gz BFBSPVSJLMVKIF-DYVFJYSZSA-N 1 0 365.405 2.954 20 5 FFBDRO Cc1c(NC(=O)[C@H](C)N2C[C@@]3(C)C[NH+](C)C[C@]3(C)C2)cccc1[N+](=O)[O-] ZINC000931308078 1020413483 /nfs/dbraw/zinc/41/34/83/1020413483.db2.gz RCMAMRDEEGNNET-GDIGMMSISA-N 1 0 360.458 2.504 20 5 FFBDRO O=[N+]([O-])c1cc(O[C@H]2CCC[NH2+]C[C@H]2F)c(Br)cc1F ZINC001217944597 1032912252 /nfs/dbraw/zinc/91/22/52/1032912252.db2.gz FWVKLKFYFUGRLX-KOLCDFICSA-N 1 0 351.147 2.965 20 5 FFBDRO Nc1ccc([N+](=O)[O-])c(N2CCC([NH2+]CCOc3ccccc3)CC2)c1 ZINC000800853595 1020600547 /nfs/dbraw/zinc/60/05/47/1020600547.db2.gz TWMUDZIHFWMIRU-UHFFFAOYSA-N 1 0 356.426 2.814 20 5 FFBDRO O=[N+]([O-])c1cc(Br)c(F)cc1O[C@H]1CCC[NH2+]C[C@@H]1F ZINC001217947417 1032913606 /nfs/dbraw/zinc/91/36/06/1032913606.db2.gz RIUAOTCROBYNFI-ONGXEEELSA-N 1 0 351.147 2.965 20 5 FFBDRO O=[N+]([O-])c1ccc(F)c(Br)c1O[C@@H]1CCC[NH2+]C[C@H]1F ZINC001217948049 1032914236 /nfs/dbraw/zinc/91/42/36/1032914236.db2.gz LJQZPRQJXAYVBM-PSASIEDQSA-N 1 0 351.147 2.965 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2C[C@@H]3COC[C@]3(c3ccccc3)C2)cc1 ZINC000931906279 1020628199 /nfs/dbraw/zinc/62/81/99/1020628199.db2.gz RTPVPQGQDUJYQJ-RLLQIKCJSA-N 1 0 354.406 2.528 20 5 FFBDRO C/C(=C\C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000801014861 1020704059 /nfs/dbraw/zinc/70/40/59/1020704059.db2.gz VVNODLNCECKBLA-HJUDDPQBSA-N 1 0 373.453 2.569 20 5 FFBDRO O=c1c2cc(O[C@H]3C[NH2+]CCC[C@@H]3F)c(O)cc2oc2cccc(O)c12 ZINC001217978313 1032928844 /nfs/dbraw/zinc/92/88/44/1032928844.db2.gz PSLZIIVMHCXYDB-GTNSWQLSSA-N 1 0 359.353 2.826 20 5 FFBDRO COc1cc([C@H](C)[NH2+][C@@H]2CCO[C@H](c3nccn3C)C2)cc([N+](=O)[O-])c1 ZINC000903183677 1020727866 /nfs/dbraw/zinc/72/78/66/1020727866.db2.gz PVQWLOODRFVPNG-QEORTHHSSA-N 1 0 360.414 2.908 20 5 FFBDRO Cc1nc2ccccn2c(=O)c1CC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000932179280 1020734628 /nfs/dbraw/zinc/73/46/28/1020734628.db2.gz YKSCNXNKYLFRCC-CYBMUJFWSA-N 1 0 352.394 2.804 20 5 FFBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@H](c2nc3c(s2)CCC3)C1 ZINC000932192447 1020738275 /nfs/dbraw/zinc/73/82/75/1020738275.db2.gz XFJSELWAQURLBF-ZDUSSCGKSA-N 1 0 374.466 2.581 20 5 FFBDRO O=C1[C@H]([NH2+][C@@H](c2ccccn2)C2CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000932382367 1020787558 /nfs/dbraw/zinc/78/75/58/1020787558.db2.gz SKLXTRRKZGLDHZ-QZTJIDSGSA-N 1 0 352.394 2.836 20 5 FFBDRO Cn1cc([C@]2(C[NH2+][C@H](Cc3ccccc3[N+](=O)[O-])C3CC3)CCCO2)cn1 ZINC000903356136 1020803238 /nfs/dbraw/zinc/80/32/38/1020803238.db2.gz PFICLMSDVODGPN-UYAOXDASSA-N 1 0 370.453 2.945 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H](C2CCOCC2)C1 ZINC000933079998 1020954000 /nfs/dbraw/zinc/95/40/00/1020954000.db2.gz RHYZPNCPUGVEAO-INIZCTEOSA-N 1 0 361.442 2.980 20 5 FFBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 ZINC000749598921 1021012153 /nfs/dbraw/zinc/01/21/53/1021012153.db2.gz MKUFGURELPZJQY-HNNXBMFYSA-N 1 0 360.458 2.655 20 5 FFBDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000749602423 1021012355 /nfs/dbraw/zinc/01/23/55/1021012355.db2.gz OUGYYZPQKGIARM-KRWDZBQOSA-N 1 0 373.457 2.715 20 5 FFBDRO O=C1OCCCN1C1CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000933615259 1021045794 /nfs/dbraw/zinc/04/57/94/1021045794.db2.gz KUAADAZSHPBRES-UHFFFAOYSA-N 1 0 363.414 2.670 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCCC[C@@H]([C@H]2CCOC2)C1 ZINC000934838190 1021421913 /nfs/dbraw/zinc/42/19/13/1021421913.db2.gz IZMORKOSZXDOPO-CVEARBPZSA-N 1 0 361.442 2.980 20 5 FFBDRO Cc1c(Cl)cc([N+](=O)[O-])c(OC[C@H]2C[NH2+]CCO2)c1Br ZINC001218179383 1033035832 /nfs/dbraw/zinc/03/58/32/1033035832.db2.gz ORNCEIIKBSLFPA-MRVPVSSYSA-N 1 0 365.611 2.686 20 5 FFBDRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000155303300 1022237520 /nfs/dbraw/zinc/23/75/20/1022237520.db2.gz RZDGXBIDJORIOP-GFBZKKKVSA-N 1 0 353.422 2.897 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@H+](Cc2ccccc2)[C@@H](CO)C2CC2)c1 ZINC000156033373 1022317019 /nfs/dbraw/zinc/31/70/19/1022317019.db2.gz LVMMOPYPBKELBB-VQTJNVASSA-N 1 0 356.422 2.901 20 5 FFBDRO CC[C@H](C(=O)O[C@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1)[NH+](CC)CC ZINC000778813664 1022399445 /nfs/dbraw/zinc/39/94/45/1022399445.db2.gz JQHGXYKXWHTWEM-GOEBONIOSA-N 1 0 367.421 2.976 20 5 FFBDRO COc1cc(C[NH2+][C@H](C)c2ccc3c(c2)CC(=O)N3C)ccc1[N+](=O)[O-] ZINC000778961817 1022585590 /nfs/dbraw/zinc/58/55/90/1022585590.db2.gz WFTWPTPZJNHLLM-GFCCVEGCSA-N 1 0 355.394 2.973 20 5 FFBDRO O=C(NC[C@H]1CCC[N@H+](CC2CC2)C1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001119387011 1022731404 /nfs/dbraw/zinc/73/14/04/1022731404.db2.gz ZXXAZTLBTWBSLJ-CYBMUJFWSA-N 1 0 350.394 2.977 20 5 FFBDRO C[NH+]1CCN(Cc2ccc(NC(=O)c3cc(F)ccc3[N+](=O)[O-])cc2)CC1 ZINC000751085031 1022754374 /nfs/dbraw/zinc/75/43/74/1022754374.db2.gz SCASTCMNFLJYKL-UHFFFAOYSA-N 1 0 372.400 2.734 20 5 FFBDRO C[C@H]1CN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC[C@H]1C[NH3+] ZINC001122211763 1023117086 /nfs/dbraw/zinc/11/70/86/1023117086.db2.gz YNAUQADYCAFACE-QWRGUYRKSA-N 1 0 357.863 2.784 20 5 FFBDRO C[C@@H]1CN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC[C@H]1C[NH3+] ZINC001122211762 1023117555 /nfs/dbraw/zinc/11/75/55/1023117555.db2.gz YNAUQADYCAFACE-MNOVXSKESA-N 1 0 357.863 2.784 20 5 FFBDRO C/C(=C\C(=O)N1CC[C@H](OCC[NH+]2CCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000752574361 1023165597 /nfs/dbraw/zinc/16/55/97/1023165597.db2.gz BXXABYPOXVDQAJ-IDCODDLRSA-N 1 0 373.453 2.711 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC001122314294 1023183484 /nfs/dbraw/zinc/18/34/84/1023183484.db2.gz YNPAVBOVGIMMTQ-FXAWDEMLSA-N 1 0 367.405 2.889 20 5 FFBDRO [NH3+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC001122331401 1023195748 /nfs/dbraw/zinc/19/57/48/1023195748.db2.gz WGWXRASMGCZDJI-MSEWRSJXSA-N 1 0 353.422 2.703 20 5 FFBDRO O=[N+]([O-])c1cc2c(ncnc2N2CCCN(c3cc[nH+]cc3)CC2)s1 ZINC001120058804 1023223856 /nfs/dbraw/zinc/22/38/56/1023223856.db2.gz WYAVDXNRRVAEHH-UHFFFAOYSA-N 1 0 356.411 2.711 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)CCCNc3ccc([N+](=O)[O-])cc3)C[C@H]2C1 ZINC001120100973 1023240196 /nfs/dbraw/zinc/24/01/96/1023240196.db2.gz ZWINUVXRIZYQCV-FRQCXROJSA-N 1 0 374.485 2.976 20 5 FFBDRO O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCCC[C@@]12CCC[NH2+]C2 ZINC001122509419 1023310462 /nfs/dbraw/zinc/31/04/62/1023310462.db2.gz WUQISWIUILDJFW-IBGZPJMESA-N 1 0 369.425 2.529 20 5 FFBDRO O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCCC[C@]12CCC[NH2+]C2 ZINC001122509420 1023310816 /nfs/dbraw/zinc/31/08/16/1023310816.db2.gz WUQISWIUILDJFW-LJQANCHMSA-N 1 0 369.425 2.529 20 5 FFBDRO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C[C@]1(O)CCc2ccccc21 ZINC000829377752 1033128032 /nfs/dbraw/zinc/12/80/32/1033128032.db2.gz VGLSPSISFRMYEL-LJQANCHMSA-N 1 0 352.394 2.737 20 5 FFBDRO C[C@@H]([NH2+]CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CCCCC1 ZINC000754122143 1023428548 /nfs/dbraw/zinc/42/85/48/1023428548.db2.gz DRPCZRDVVWOYSC-MRXNPFEDSA-N 1 0 374.485 2.802 20 5 FFBDRO Cc1cc(C)nc(C(=O)Nc2cc(N3CC[NH+](C)CC3)ccc2[N+](=O)[O-])c1 ZINC001121158921 1023631320 /nfs/dbraw/zinc/63/13/20/1023631320.db2.gz BFLXLMOSPORNRK-UHFFFAOYSA-N 1 0 369.425 2.611 20 5 FFBDRO COc1cc(O[C@@H]2CC[NH2+]C[C@@H]2C)c2c(c1)oc1c(O)ccc(O)c1c2=O ZINC001218419087 1033149217 /nfs/dbraw/zinc/14/92/17/1033149217.db2.gz KHXXPAHRMVVQCI-IINYFYTJSA-N 1 0 371.389 2.743 20 5 FFBDRO C[C@H](C(=O)NC1CCN(c2cc[nH+]cc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC001121301277 1023695966 /nfs/dbraw/zinc/69/59/66/1023695966.db2.gz XXAKGSCJHYYJQN-AWEZNQCLSA-N 1 0 354.410 2.879 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC001123268821 1023715911 /nfs/dbraw/zinc/71/59/11/1023715911.db2.gz UIQDHYDADBXENI-SWLSCSKDSA-N 1 0 350.419 2.797 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(O[C@@H]2C[NH2+]CCC2(F)F)c(Br)c1 ZINC001218456121 1033164955 /nfs/dbraw/zinc/16/49/55/1033164955.db2.gz ZOTOANKKRZERQA-SECBINFHSA-N 1 0 355.110 2.872 20 5 FFBDRO CCC[NH+]1CCC(N(C)c2nnc(-c3c[nH]c([N+](=O)[O-])c3)n2CC)CC1 ZINC001121720965 1023944834 /nfs/dbraw/zinc/94/48/34/1023944834.db2.gz RVRQEUGFNSMYEO-UHFFFAOYSA-N 1 0 361.450 2.512 20 5 FFBDRO COc1cc(C(=O)NC2CCN(c3cc[nH+]cc3)CC2)cc([N+](=O)[O-])c1C ZINC001124007647 1024220796 /nfs/dbraw/zinc/22/07/96/1024220796.db2.gz LNIUVIWASXCJBN-UHFFFAOYSA-N 1 0 370.409 2.706 20 5 FFBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC001122165623 1024400211 /nfs/dbraw/zinc/40/02/11/1024400211.db2.gz JRDJRSJXLHQOFO-JKSUJKDBSA-N 1 0 357.435 2.802 20 5 FFBDRO CN(C(=O)c1ccc(N)c([N+](=O)[O-])c1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000080501477 1024636605 /nfs/dbraw/zinc/63/66/05/1024636605.db2.gz CEZDQMXPTCGUND-QGZVFWFLSA-N 1 0 368.437 2.914 20 5 FFBDRO CCc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N)[NH+](C)C)cc1 ZINC000195131484 1024946051 /nfs/dbraw/zinc/94/60/51/1024946051.db2.gz IXDREZXTOJWLPO-SFHVURJKSA-N 1 0 356.426 2.772 20 5 FFBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)O[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000837574283 1025908690 /nfs/dbraw/zinc/90/86/90/1025908690.db2.gz XVPCXRVWWKBEMP-ZDUSSCGKSA-N 1 0 359.357 2.747 20 5 FFBDRO COc1cc(N)c([N+](=O)[O-])cc1C(=O)O[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000837667669 1025954086 /nfs/dbraw/zinc/95/40/86/1025954086.db2.gz ZLRHCAGEDHFLJK-AWEZNQCLSA-N 1 0 371.393 2.617 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@](C(N)=O)(c2ccccc2)C1 ZINC000839643361 1026772157 /nfs/dbraw/zinc/77/21/57/1026772157.db2.gz RQPYJQFDBLNXDC-HXUWFJFHSA-N 1 0 369.421 2.623 20 5 FFBDRO C[C@@]12C[N@H+](Cn3cnc(-c4cccc([N+](=O)[O-])c4)n3)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000840118174 1026965083 /nfs/dbraw/zinc/96/50/83/1026965083.db2.gz YCKVLLQQJAOVRS-UJNZZBMASA-N 1 0 351.410 2.955 20 5 FFBDRO Cc1c(C(=O)OCC[C@@H]2CCCC[N@H+]2C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000840231143 1027013485 /nfs/dbraw/zinc/01/34/85/1027013485.db2.gz ZBGVVWRCCCKGIG-AWEZNQCLSA-N 1 0 373.413 2.515 20 5 FFBDRO C[N@H+](C1CN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C1)[C@H]1CCOC1 ZINC001158734312 1027116326 /nfs/dbraw/zinc/11/63/26/1027116326.db2.gz CGMRWQVHEMHUNI-HNNXBMFYSA-N 1 0 354.410 2.566 20 5 FFBDRO [NH3+]Cc1ccc2nnn(-c3ccc([N+](=O)[O-])c(-c4ccc(F)cc4)n3)c2c1 ZINC001159033700 1027237845 /nfs/dbraw/zinc/23/78/45/1027237845.db2.gz JMLLVZFFUCVWQF-UHFFFAOYSA-N 1 0 364.340 2.989 20 5 FFBDRO [NH3+][C@H]1CCc2c3ccccc3n(-c3cc([N+](=O)[O-])cc(Cl)[n+]3[O-])c2C1 ZINC001159948951 1027542922 /nfs/dbraw/zinc/54/29/22/1027542922.db2.gz LXYHORANLQDMFO-JTQLQIEISA-N 1 0 358.785 2.642 20 5 FFBDRO COC(=O)c1cnc(-n2cc(C[C@H](C)[NH3+])c3ccc(C)cc32)c([N+](=O)[O-])c1 ZINC001160012372 1027563120 /nfs/dbraw/zinc/56/31/20/1027563120.db2.gz RXDWEFYBFAQAJB-LBPRGKRZSA-N 1 0 368.393 2.918 20 5 FFBDRO CCN(CCC(N)=O)C(=O)[C@@H]([NH3+])Cc1c2ccccc2cc2ccccc21 ZINC001160470612 1027721104 /nfs/dbraw/zinc/72/11/04/1027721104.db2.gz DGJIZAGBGMBMLS-FQEVSTJZSA-N 1 0 363.461 2.587 20 5 FFBDRO [NH3+]C[C@@]1(Nc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CN2CCC1CC2 ZINC001160517898 1027734814 /nfs/dbraw/zinc/73/48/14/1027734814.db2.gz DZWWRYJPGXJHOZ-LJQANCHMSA-N 1 0 371.416 2.631 20 5 FFBDRO Nc1nc(N[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2[NH3+])ccc1[N+](=O)[O-] ZINC001160635828 1027780467 /nfs/dbraw/zinc/78/04/67/1027780467.db2.gz UWCLAHQUNVJTTA-GUMHCPJTSA-N 1 0 373.416 2.971 20 5 FFBDRO CN(Cc1c2ccccc2cc2ccccc21)C(=O)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001160740207 1027846863 /nfs/dbraw/zinc/84/68/63/1027846863.db2.gz YWODZRBRPBCFET-WZONZLPQSA-N 1 0 359.473 2.903 20 5 FFBDRO CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c(F)cc2C)C[C@H]1[NH+]1CCCC1 ZINC001153677318 1027956616 /nfs/dbraw/zinc/95/66/16/1027956616.db2.gz YXFBYMLICMKMMV-HZPDHXFCSA-N 1 0 367.446 2.694 20 5 FFBDRO CC(C)(C)C(=O)C[NH+]1CCC(Nc2cc([N+](=O)[O-])c3cc[nH]c3n2)CC1 ZINC001161119708 1028019678 /nfs/dbraw/zinc/01/96/78/1028019678.db2.gz GBANPXLTTANISZ-UHFFFAOYSA-N 1 0 359.430 2.963 20 5 FFBDRO O=[N+]([O-])c1ccc2ncc(NCC3CC[NH+](C4CCOCC4)CC3)nc2c1 ZINC001161234266 1028084796 /nfs/dbraw/zinc/08/47/96/1028084796.db2.gz MSVLQMHQWOXVQK-UHFFFAOYSA-N 1 0 371.441 2.841 20 5 FFBDRO C[NH+](C)CC(=O)N[C@H]1CC[C@H](Nc2ccc3cccc([N+](=O)[O-])c3n2)CC1 ZINC001161669931 1028273713 /nfs/dbraw/zinc/27/37/13/1028273713.db2.gz OPLSHHIJZNKFAO-SHTZXODSSA-N 1 0 371.441 2.544 20 5 FFBDRO COc1nc(C)c([N+](=O)[O-])c(NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)n1 ZINC001161885415 1028350488 /nfs/dbraw/zinc/35/04/88/1028350488.db2.gz NOOHDCFPVHKODV-HNNXBMFYSA-N 1 0 357.414 2.778 20 5 FFBDRO COCCC1([NH3+])CCN(C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)CC1 ZINC001162041881 1028411675 /nfs/dbraw/zinc/41/16/75/1028411675.db2.gz RLIUWFGBZVNODR-UHFFFAOYSA-N 1 0 364.780 2.522 20 5 FFBDRO O=[N+]([O-])c1cc2c(Cl)ncnc2cc1-n1cncc1C1CC[NH2+]CC1 ZINC001155052586 1028559032 /nfs/dbraw/zinc/55/90/32/1028559032.db2.gz CWYCJRHXSNEILG-UHFFFAOYSA-N 1 0 358.789 2.844 20 5 FFBDRO CCc1cc(NC[C@]2(F)CCCC[NH2+]C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001155118977 1028587447 /nfs/dbraw/zinc/58/74/47/1028587447.db2.gz NTVAPCVXOBLPBR-IBGZPJMESA-N 1 0 373.432 2.930 20 5 FFBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(-n2ccc3cc([C@H](C)[NH3+])ccc32)n1 ZINC001155346080 1028686387 /nfs/dbraw/zinc/68/63/87/1028686387.db2.gz GOIBCPWOEKVGPN-VIFPVBQESA-N 1 0 354.370 2.615 20 5 FFBDRO O=[N+]([O-])c1c(Cl)nc(Cl)nc1NCC[C@H]1C[NH2+]Cc2cccn2C1 ZINC001155452717 1028739378 /nfs/dbraw/zinc/73/93/78/1028739378.db2.gz DYMGIUOEBXEHQX-VIFPVBQESA-N 1 0 371.228 2.715 20 5 FFBDRO O=[N+]([O-])c1ccc2nc(NCC[C@H]3C[NH2+]Cc4cccn4C3)cnc2c1 ZINC001155454353 1028742085 /nfs/dbraw/zinc/74/20/85/1028742085.db2.gz SODXOAREGVMZLD-ZDUSSCGKSA-N 1 0 352.398 2.561 20 5 FFBDRO CN(C)/C=C/c1cc(NCC[C@H]2C[NH2+]Cc3cccn3C2)ncc1[N+](=O)[O-] ZINC001155459711 1028744320 /nfs/dbraw/zinc/74/43/20/1028744320.db2.gz WRBSAELETCWAIQ-PPYMECGQSA-N 1 0 370.457 2.545 20 5 FFBDRO CCCC(C[NH3+])(CCC)Nc1nc(Cl)nc(C(=O)OC)c1[N+](=O)[O-] ZINC001163038917 1028769589 /nfs/dbraw/zinc/76/95/89/1028769589.db2.gz UYNPMQZTWTYTHS-UHFFFAOYSA-N 1 0 359.814 2.534 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ccccc2)nc1NCc1noc2c1C[NH2+]CC2 ZINC001163125583 1028810834 /nfs/dbraw/zinc/81/08/34/1028810834.db2.gz ADAHBSMXSJZQSE-UHFFFAOYSA-N 1 0 351.366 2.903 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CC[N@H+](C)C(C)(C)CC1 ZINC001163826678 1029076254 /nfs/dbraw/zinc/07/62/54/1029076254.db2.gz XEJOMGLKNFITBT-UHFFFAOYSA-N 1 0 355.822 2.955 20 5 FFBDRO CNC(=O)c1ccc(N[C@@H]2CC[N@H+](Cc3cccc(C)c3)C2)c([N+](=O)[O-])c1 ZINC001163831722 1029083187 /nfs/dbraw/zinc/08/31/87/1029083187.db2.gz UHTGSUHTAPTLSX-QGZVFWFLSA-N 1 0 368.437 2.949 20 5 FFBDRO Cc1cc(N[C@@H]2CC[C@@H]3C[N@@H+](C)C[C@@H]23)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164378883 1029268112 /nfs/dbraw/zinc/26/81/12/1029268112.db2.gz DAEFHPVTASFRST-DJIMGWMZSA-N 1 0 353.426 2.534 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(N(Cc2ccccc2)C2(C[NH3+])COC2)nc1Cl ZINC001156631688 1029278604 /nfs/dbraw/zinc/27/86/04/1029278604.db2.gz CFJGGKBYYSKJBX-UHFFFAOYSA-N 1 0 362.817 2.686 20 5 FFBDRO C[NH+](C)Cc1ccnc(NC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000781710232 1029363620 /nfs/dbraw/zinc/36/36/20/1029363620.db2.gz ZYNQUQFRIWVOHX-UHFFFAOYSA-N 1 0 373.369 2.531 20 5 FFBDRO CC[N@H+]([C@H]1CCOC1)C1CCN(c2cnc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC001165107416 1029394774 /nfs/dbraw/zinc/39/47/74/1029394774.db2.gz GPMGPWBUDOXIOM-INIZCTEOSA-N 1 0 371.441 2.618 20 5 FFBDRO CN(C1C[NH2+]C1)C(F)(F)c1cc(-c2cccc([N+](=O)[O-])c2)nnc1Cl ZINC001165127302 1029411377 /nfs/dbraw/zinc/41/13/77/1029411377.db2.gz QYEUHZZSSFCTPR-UHFFFAOYSA-N 1 0 369.759 2.658 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H](CO)c2ccc(C(F)(F)F)cc2)cc1 ZINC000782091606 1029565831 /nfs/dbraw/zinc/56/58/31/1029565831.db2.gz PGDJGRHVCUIXAR-HOTGVXAUSA-N 1 0 370.327 2.970 20 5 FFBDRO O=[N+]([O-])c1ccc2ncnc(NC3CC[NH+](C[C@H]4CCCO4)CC3)c2c1 ZINC000782142971 1029589542 /nfs/dbraw/zinc/58/95/42/1029589542.db2.gz RBQMRGVNMADSFU-OAHLLOKOSA-N 1 0 357.414 2.593 20 5 FFBDRO C[C@]1(CO)C[C@@H](O)C[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000888092493 1029618706 /nfs/dbraw/zinc/61/87/06/1029618706.db2.gz XFOCXZYYRGKCKJ-SJKOYZFVSA-N 1 0 366.801 2.826 20 5 FFBDRO CCN(c1nc(C(F)(F)F)nc(Cl)c1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC001158205021 1029755437 /nfs/dbraw/zinc/75/54/37/1029755437.db2.gz LESQPAOSIYVSQH-SSDOTTSWSA-N 1 0 353.732 2.635 20 5 FFBDRO O=C(c1cc(=S)cc2[nH]c3ccccc3nc1-2)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158235270 1029766382 /nfs/dbraw/zinc/76/63/82/1029766382.db2.gz BIIWVRVGVIAZMJ-DOTOQJQBSA-N 1 0 350.447 2.974 20 5 FFBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N[C@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)n1 ZINC001158272413 1029782504 /nfs/dbraw/zinc/78/25/04/1029782504.db2.gz ZRUYJLBRTLBETH-YVEFUNNKSA-N 1 0 364.450 2.607 20 5 FFBDRO C[NH+](C)CCOc1ccc(NC(=O)c2c(N)cccc2[N+](=O)[O-])cc1F ZINC001142010483 1029891852 /nfs/dbraw/zinc/89/18/52/1029891852.db2.gz YXYDORNTAUSEMG-UHFFFAOYSA-N 1 0 362.361 2.509 20 5 FFBDRO C[C@@H]([NH2+][C@H]1CCN(c2ccc(F)cc2)C1=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000840882164 1029904232 /nfs/dbraw/zinc/90/42/32/1029904232.db2.gz MRBZBAGNQRFVSP-BZNIZROVSA-N 1 0 358.373 2.772 20 5 FFBDRO COc1nc(N2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC001165417320 1029973875 /nfs/dbraw/zinc/97/38/75/1029973875.db2.gz OKPVFXWMBYWQHA-BEFAXECRSA-N 1 0 354.410 2.582 20 5 FFBDRO Cc1cccc(N(c2ncc([N+](=O)[O-])c(C)n2)[C@@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC001165774461 1030120101 /nfs/dbraw/zinc/12/01/01/1030120101.db2.gz CXVGOBIUTSHOOC-QFBILLFUSA-N 1 0 369.425 2.661 20 5 FFBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC001142221307 1030181314 /nfs/dbraw/zinc/18/13/14/1030181314.db2.gz AFWKWANNAOEVMQ-KGLIPLIRSA-N 1 0 351.422 2.903 20 5 FFBDRO CCC[NH2+][C@H]1CCc2c(sc(=N)n2-c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC001166871001 1030556553 /nfs/dbraw/zinc/55/65/53/1030556553.db2.gz QTOQSAAIUQWPEH-JTQLQIEISA-N 1 0 367.862 2.832 20 5 FFBDRO [NH3+][C@H]1CCN(c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)nn2)CC1(F)F ZINC001166961345 1030589839 /nfs/dbraw/zinc/58/98/39/1030589839.db2.gz OYQOVNJVAFHMCY-ZDUSSCGKSA-N 1 0 369.759 2.878 20 5 FFBDRO C[NH2+]C[C@@H](C)c1noc([C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)n1 ZINC000842581108 1030796727 /nfs/dbraw/zinc/79/67/27/1030796727.db2.gz JLBZJKJQKWMPNE-IUODEOHRSA-N 1 0 373.413 2.586 20 5 FFBDRO O=[N+]([O-])c1cn(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCOC2)nc1-c1ccncc1 ZINC000842620350 1030835254 /nfs/dbraw/zinc/83/52/54/1030835254.db2.gz ZZKCNXDMRPBSTA-HZPDHXFCSA-N 1 0 357.414 2.702 20 5 FFBDRO [NH3+]C[C@H]1c2ccccc2CCN1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000843390831 1031370949 /nfs/dbraw/zinc/37/09/49/1031370949.db2.gz GDVMXRSYFZFSSR-KRWDZBQOSA-N 1 0 374.828 2.745 20 5 FFBDRO CC[NH+]1CCN(c2cc(N(C)C(=O)[C@@H]3C[C@H]3C(C)C)cc([N+](=O)[O-])c2)CC1 ZINC001535174620 1069737975 /nfs/dbraw/zinc/73/79/75/1069737975.db2.gz OBBQNTOQBPOQQY-RBUKOAKNSA-N 1 0 374.485 2.992 20 5 FFBDRO Cc1ccc(C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCCCC2)cc1F ZINC001115530848 1031788503 /nfs/dbraw/zinc/78/85/03/1031788503.db2.gz VBHZRWRJMXSWKV-NVXWUHKLSA-N 1 0 363.433 2.708 20 5 FFBDRO O=C(CC[NH2+]CCc1ccc([N+](=O)[O-])cc1)Nc1ccccc1[N+](=O)[O-] ZINC000799994436 1031945524 /nfs/dbraw/zinc/94/55/24/1031945524.db2.gz AOAGXIULKRWENA-UHFFFAOYSA-N 1 0 358.354 2.664 20 5 FFBDRO C[NH+](C)CC[C@H](NC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)c1cccnc1 ZINC000830210997 1033511495 /nfs/dbraw/zinc/51/14/95/1033511495.db2.gz WRRRJPUQJUAQCH-QYZOEREBSA-N 1 0 368.437 2.903 20 5 FFBDRO [NH3+][C@@H](Cc1c2ccccc2cc2ccccc21)C(=O)NCCc1cc[nH]n1 ZINC001220062342 1033966918 /nfs/dbraw/zinc/96/69/18/1033966918.db2.gz VNQDMFQZUIJYQF-NRFANRHFSA-N 1 0 358.445 2.945 20 5 FFBDRO O=[N+]([O-])c1ccc(OCCO[C@H]2CC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC001224776892 1034002758 /nfs/dbraw/zinc/00/27/58/1034002758.db2.gz HEUYOLAJWXYIII-JCNLHEQBSA-N 1 0 350.415 2.634 20 5 FFBDRO O=c1cc[nH]c(O[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)c1[N+](=O)[O-] ZINC001225664525 1034360162 /nfs/dbraw/zinc/36/01/62/1034360162.db2.gz QCENFWHHGIUHTC-BFYDXBDKSA-N 1 0 355.394 2.985 20 5 FFBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc([N+](=O)[O-])cc1I ZINC001226037437 1034500300 /nfs/dbraw/zinc/50/03/00/1034500300.db2.gz UOXHUDBXNOTULD-VIFPVBQESA-N 1 0 365.191 2.673 20 5 FFBDRO Cc1ccc(CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC001221093088 1034542922 /nfs/dbraw/zinc/54/29/22/1034542922.db2.gz PCAYTMYQTPBSFS-GOSISDBHSA-N 1 0 368.437 2.977 20 5 FFBDRO CC(=O)O[C@H]1C[C@@H]2C[C@H](Oc3cc([N+](=O)[O-])c(F)cc3Cl)C[C@H]1[N@@H+]2C ZINC001226198574 1034568281 /nfs/dbraw/zinc/56/82/81/1034568281.db2.gz NOPMRGGQWBZFGU-SUJZYYJXSA-N 1 0 372.780 2.933 20 5 FFBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1c(F)cc(Cl)cc1Br ZINC001227170188 1034959987 /nfs/dbraw/zinc/95/99/87/1034959987.db2.gz GXUDSNPWFXJCRM-SECBINFHSA-N 1 0 369.638 2.604 20 5 FFBDRO CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CC[C@@H]1[NH3+] ZINC000834642187 1035422269 /nfs/dbraw/zinc/42/22/69/1035422269.db2.gz QHLSCOGHQPQPAW-PBHICJAKSA-N 1 0 360.458 2.785 20 5 FFBDRO CC(C)[NH+]1CCC(Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001227498639 1035583823 /nfs/dbraw/zinc/58/38/23/1035583823.db2.gz QIRDJXJJFAJRSC-UHFFFAOYSA-N 1 0 354.319 2.663 20 5 FFBDRO C[C@H](OC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)C(=O)OC(C)(C)C ZINC000835407336 1035755770 /nfs/dbraw/zinc/75/57/70/1035755770.db2.gz ZYYCWCMMXQQZKS-NSHDSACASA-N 1 0 361.354 2.668 20 5 FFBDRO CC(=O)O[C@@H]1C[C@@H]2C[C@H](Oc3ccc([N+](=O)[O-])c4cccnc34)C[C@H]1[N@@H+]2C ZINC001228139637 1035955467 /nfs/dbraw/zinc/95/54/67/1035955467.db2.gz VMNULGNOWHDGGO-HINSOXJESA-N 1 0 371.393 2.689 20 5 FFBDRO O=[N+]([O-])c1c[n+]([O-])ccc1O[C@H]1[C@@H]2CC[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC001229451088 1036682245 /nfs/dbraw/zinc/68/22/45/1036682245.db2.gz BOXYQPNJVDUURE-MNZLEMJZSA-N 1 0 355.394 2.518 20 5 FFBDRO C[N@@H+]1CCC[C@@H](Oc2cccc(I)c2[N+](=O)[O-])C1 ZINC001229656609 1036807300 /nfs/dbraw/zinc/80/73/00/1036807300.db2.gz KBTFRFSZEQHOMX-SECBINFHSA-N 1 0 362.167 2.672 20 5 FFBDRO CC(C)[N@@H+]1CC[C@H](Oc2cc(O)cc3oc4c(O)ccc(O)c4c(=O)c23)C1 ZINC001234125853 1036931814 /nfs/dbraw/zinc/93/18/14/1036931814.db2.gz YWHJTYOPJYQETG-LBPRGKRZSA-N 1 0 371.389 2.925 20 5 FFBDRO COc1c(O)cc(O[C@H](C)C[N+](C)(C)C)c2c(=O)c3ccccc3n(C)c12 ZINC001234175624 1036956687 /nfs/dbraw/zinc/95/66/87/1036956687.db2.gz KCBPKSKBIKINEN-CYBMUJFWSA-O 1 0 371.457 2.879 20 5 FFBDRO COCCC[NH+]1CCC(Oc2cc(C)c([N+](=O)[O-])cc2C(=O)OC)CC1 ZINC001229960047 1037003557 /nfs/dbraw/zinc/00/35/57/1037003557.db2.gz IKTPCDCSCDONHL-UHFFFAOYSA-N 1 0 366.414 2.570 20 5 FFBDRO COCC[NH+]1CCC(Oc2nc(C)c(Br)cc2[N+](=O)[O-])CC1 ZINC001231120556 1037479837 /nfs/dbraw/zinc/47/98/37/1037479837.db2.gz QPEKKAVSNXZPDL-UHFFFAOYSA-N 1 0 374.235 2.550 20 5 FFBDRO NC(=O)[C@@H]1C[N@H+](Cc2c3ccccc3c(Cl)c3ccccc32)CCN1 ZINC001235754832 1037724327 /nfs/dbraw/zinc/72/43/27/1037724327.db2.gz TUHUNYMUEQCBPZ-SFHVURJKSA-N 1 0 353.853 2.906 20 5 FFBDRO COc1cc(N2CCC([N@@H+]3CCC[C@H](N(C)C)C3)CC2)ccc1[N+](=O)[O-] ZINC001256098681 1038382812 /nfs/dbraw/zinc/38/28/12/1038382812.db2.gz CMDJAILBWKANLK-KRWDZBQOSA-N 1 0 362.474 2.598 20 5 FFBDRO COc1cc(N2CCC([N@@H+]3CCOCC34CCC4)CC2)ccc1[N+](=O)[O-] ZINC001256100288 1038384538 /nfs/dbraw/zinc/38/45/38/1038384538.db2.gz DFSYYUJGZAEGLU-UHFFFAOYSA-N 1 0 361.442 2.827 20 5 FFBDRO COc1cc(N2CCC([NH2+]Cc3ccc(F)nc3)CC2)ccc1[N+](=O)[O-] ZINC001256100527 1038384698 /nfs/dbraw/zinc/38/46/98/1038384698.db2.gz IDQKIWDUWDTQSJ-UHFFFAOYSA-N 1 0 360.389 2.896 20 5 FFBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccccc1OCC[NH+](C)C ZINC001251364056 1039089860 /nfs/dbraw/zinc/08/98/60/1039089860.db2.gz AEXIBQVBFFXSTI-UHFFFAOYSA-N 1 0 372.425 2.507 20 5 FFBDRO C[C@@H]1C[N@@H+](CCc2nnc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C[C@H](C)O1 ZINC001258139704 1039221632 /nfs/dbraw/zinc/22/16/32/1039221632.db2.gz VSHWYACCYSVMQO-PHIMTYICSA-N 1 0 366.805 2.950 20 5 FFBDRO C[C@@H]1C[N@@H+](CCc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C[C@H](C)O1 ZINC001258146658 1039227561 /nfs/dbraw/zinc/22/75/61/1039227561.db2.gz QOTPJYNUZDXFJK-PHIMTYICSA-N 1 0 366.805 2.950 20 5 FFBDRO C[C@@H]1C[NH+](CCc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C[C@@H](C)O1 ZINC001258146657 1039227726 /nfs/dbraw/zinc/22/77/26/1039227726.db2.gz QOTPJYNUZDXFJK-GHMZBOCLSA-N 1 0 366.805 2.950 20 5 FFBDRO [NH3+]C1CCN(Cc2nc(-c3ccc4ccc5cccnc5c4n3)no2)CC1 ZINC001248202871 1040170848 /nfs/dbraw/zinc/17/08/48/1040170848.db2.gz HFLVUWGNOKHFRJ-UHFFFAOYSA-N 1 0 360.421 2.756 20 5 FFBDRO Cc1cc(C)c(-c2noc(C[C@H]([NH3+])Cc3ccc([N+](=O)[O-])cc3)n2)cn1 ZINC001248213528 1040176491 /nfs/dbraw/zinc/17/64/91/1040176491.db2.gz GBUINPSTDNBKCK-CQSZACIVSA-N 1 0 353.382 2.769 20 5 FFBDRO Cc1ccc(C[C@@H]([NH3+])Cc2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)cc1 ZINC001248232090 1040186315 /nfs/dbraw/zinc/18/63/15/1040186315.db2.gz AEGOMOOGNQPREJ-CYBMUJFWSA-N 1 0 357.345 2.600 20 5 FFBDRO CN(C)c1ccc(-c2noc(C[C@@H]([NH3+])c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC001249343434 1040692446 /nfs/dbraw/zinc/69/24/46/1040692446.db2.gz ZWVLRHREJOJUOP-MRXNPFEDSA-N 1 0 353.382 2.953 20 5 FFBDRO [NH3+][C@H](Cc1nc(-c2ccc3c(c2)OCCO3)no1)c1ccccc1[N+](=O)[O-] ZINC001249342684 1040692662 /nfs/dbraw/zinc/69/26/62/1040692662.db2.gz QDVNXQWQFWQOHP-CYBMUJFWSA-N 1 0 368.349 2.659 20 5 FFBDRO O=C(C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)Nc1ccccc1 ZINC001254467393 1040735006 /nfs/dbraw/zinc/73/50/06/1040735006.db2.gz BJVWYJRDKZOVIR-UHFFFAOYSA-N 1 0 354.410 2.792 20 5 FFBDRO CC(C)(CC(=O)N1CCCC1)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254467526 1040735102 /nfs/dbraw/zinc/73/51/02/1040735102.db2.gz BDNCYEIKGXVEQB-UHFFFAOYSA-N 1 0 374.485 2.944 20 5 FFBDRO COCc1noc2c1C[N@@H+](C1CCN(c3ccc([N+](=O)[O-])cc3)CC1)CC2 ZINC001254474497 1040740667 /nfs/dbraw/zinc/74/06/67/1040740667.db2.gz JXSOCDDZSIGKQQ-UHFFFAOYSA-N 1 0 372.425 2.756 20 5 FFBDRO Cn1cnnc1C1CC[NH+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001254479932 1040745419 /nfs/dbraw/zinc/74/54/19/1040745419.db2.gz QPWUOULXTOQOEO-UHFFFAOYSA-N 1 0 370.457 2.572 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](CO)Cc1ccc(F)cc1F ZINC001254551148 1040792344 /nfs/dbraw/zinc/79/23/44/1040792344.db2.gz YZHSJQFEXJAPBN-WBMJQRKESA-N 1 0 350.365 2.997 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CN1C(=O)CCC1=O)C(C)(C)C ZINC001254549616 1040793429 /nfs/dbraw/zinc/79/34/29/1040793429.db2.gz UQKJRQPLZJMXSC-BBRMVZONSA-N 1 0 361.442 2.679 20 5 FFBDRO Cc1ccnc(N([C@@H](C)Cc2ccccc2[N+](=O)[O-])C2CC[NH2+]CC2)n1 ZINC001254569703 1040806238 /nfs/dbraw/zinc/80/62/38/1040806238.db2.gz JWTZGHOMTKYONR-HNNXBMFYSA-N 1 0 355.442 2.883 20 5 FFBDRO O=C(c1cccc(F)c1)N1CC[C@H]([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254584329 1040816812 /nfs/dbraw/zinc/81/68/12/1040816812.db2.gz HHTBOMRRHJWILS-ZWKOTPCHSA-N 1 0 369.396 2.705 20 5 FFBDRO O=C1CCCCN1c1cc(C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)ccn1 ZINC001254586853 1040818045 /nfs/dbraw/zinc/81/80/45/1040818045.db2.gz LNVIMLUKAWKUHL-QGZVFWFLSA-N 1 0 366.421 2.764 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]Cc1ccnc(OCC3CCC3)n1)C2 ZINC001254586189 1040818321 /nfs/dbraw/zinc/81/83/21/1040818321.db2.gz IFVWMGVOPUCAOX-KRWDZBQOSA-N 1 0 354.410 2.821 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]Cc1cc(OCC3CCC3)ncn1)C2 ZINC001254586537 1040818416 /nfs/dbraw/zinc/81/84/16/1040818416.db2.gz LJEYOPVSIFITHC-MRXNPFEDSA-N 1 0 354.410 2.821 20 5 FFBDRO CN(C)C(=O)c1ccc(CC[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC001254590842 1040820544 /nfs/dbraw/zinc/82/05/44/1040820544.db2.gz ZLBUOCWNHCENGV-SFHVURJKSA-N 1 0 353.422 2.596 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]CC1(c3cccnc3)CCOCC1)C2 ZINC001254588313 1040820746 /nfs/dbraw/zinc/82/07/46/1040820746.db2.gz XWZCIIAFPVUMPC-GOSISDBHSA-N 1 0 353.422 2.795 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H](N1CC3(C1)CC[N@H+](Cc1cccnc1)C3)C2 ZINC001254593917 1040823213 /nfs/dbraw/zinc/82/32/13/1040823213.db2.gz BTHJVZLWVHWAJN-FQEVSTJZSA-N 1 0 364.449 2.665 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH+]1CCN(c3cc(Cl)ccn3)CC1)C2 ZINC001254603053 1040831921 /nfs/dbraw/zinc/83/19/21/1040831921.db2.gz LBTTZLHPVVTNRD-KRWDZBQOSA-N 1 0 358.829 2.933 20 5 FFBDRO CC(C)(C)OC(=O)NC[C@@H]1CC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254601377 1040832596 /nfs/dbraw/zinc/83/25/96/1040832596.db2.gz YZEYEOSWEWKRCV-SUMWQHHRSA-N 1 0 361.442 2.909 20 5 FFBDRO O=C(c1ccccc1)N1CCC[C@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001261436300 1041236315 /nfs/dbraw/zinc/23/63/15/1041236315.db2.gz XPTWITOZLATARZ-HKUYNNGSSA-N 1 0 369.421 2.523 20 5 FFBDRO O=c1[nH]cc(-c2nnc([C@@H]3CC[N@H+](Cc4ccccc4)C3)o2)cc1[N+](=O)[O-] ZINC001255450450 1041344673 /nfs/dbraw/zinc/34/46/73/1041344673.db2.gz AWNCRCZFWAUFOR-CYBMUJFWSA-N 1 0 367.365 2.735 20 5 FFBDRO O=C(NC[C@@H]1C[NH2+]CCC1(F)F)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001262100692 1041558169 /nfs/dbraw/zinc/55/81/69/1041558169.db2.gz XPQLUHJNIFITCQ-ZDUSSCGKSA-N 1 0 368.384 2.514 20 5 FFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c(F)c1N1CCOCC1 ZINC001262678648 1041789517 /nfs/dbraw/zinc/78/95/17/1041789517.db2.gz IXWLTGOIKHIGFF-HIFRSBDPSA-N 1 0 364.421 2.609 20 5 FFBDRO O=[N+]([O-])c1cnc2ccccc2c1N1CCC([NH2+]C2CCOCC2)CC1 ZINC001262706733 1041806411 /nfs/dbraw/zinc/80/64/11/1041806411.db2.gz XMLMWKMENMCDMN-UHFFFAOYSA-N 1 0 356.426 2.880 20 5 FFBDRO Cc1cc(C(=O)Nc2cc(N3CC[NH+](C)CC3)ccc2[N+](=O)[O-])c(C)n1C ZINC001262811917 1041872334 /nfs/dbraw/zinc/87/23/34/1041872334.db2.gz FSDYKKNXNXEXPI-UHFFFAOYSA-N 1 0 371.441 2.554 20 5 FFBDRO C[C@@H](c1nnc(N(C)C[C@H]2CCCC[N@@H+]2Cc2ccccc2)n1C)[N+](=O)[O-] ZINC001262863737 1041910989 /nfs/dbraw/zinc/91/09/89/1041910989.db2.gz OLBRMCXTUFOWKT-DOTOQJQBSA-N 1 0 372.473 2.644 20 5 FFBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NCC[C@@H]1CCC[NH2+]CC1 ZINC001263328055 1042243096 /nfs/dbraw/zinc/24/30/96/1042243096.db2.gz AEHSLVVBARBEFE-CYBMUJFWSA-N 1 0 369.849 2.913 20 5 FFBDRO CCOc1cc(NC(=O)N[C@H]2CC[N@H+](C)[C@H]2C)c([N+](=O)[O-])cc1OCC ZINC001309999361 1043621296 /nfs/dbraw/zinc/62/12/96/1043621296.db2.gz BIEXEXYXHKCTRY-RYUDHWBXSA-N 1 0 366.418 2.606 20 5 FFBDRO COc1ccc(NC(=O)N2CCN(c3cc[nH+]cc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC001310465339 1043693134 /nfs/dbraw/zinc/69/31/34/1043693134.db2.gz IFEXHMDTZLEFPA-CYBMUJFWSA-N 1 0 371.397 2.741 20 5 FFBDRO C[C@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001280019776 1044096562 /nfs/dbraw/zinc/09/65/62/1044096562.db2.gz AHGQGEUVMZQTCZ-GXTWGEPZSA-N 1 0 364.402 2.838 20 5 FFBDRO C[C@@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001280019779 1044096645 /nfs/dbraw/zinc/09/66/45/1044096645.db2.gz AHGQGEUVMZQTCZ-TZMCWYRMSA-N 1 0 364.402 2.838 20 5 FFBDRO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC001318648761 1044789163 /nfs/dbraw/zinc/78/91/63/1044789163.db2.gz LPDOWGDJCJGRSX-UONOGXRCSA-N 1 0 370.247 2.960 20 5 FFBDRO Cc1ccc(C(=O)NCc2ccccc2N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC001318287579 1045263587 /nfs/dbraw/zinc/26/35/87/1045263587.db2.gz SVDDBSGJVCKNIZ-UHFFFAOYSA-N 1 0 368.437 2.585 20 5 FFBDRO Cc1c(C(=O)N[C@@H]2CCCC[C@H]2[NH+](C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC001318411555 1045294267 /nfs/dbraw/zinc/29/42/67/1045294267.db2.gz BOXMNVPYWFVSBJ-ZIAGYGMSSA-N 1 0 364.402 2.722 20 5 FFBDRO COc1ccc(CC(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)cc1[N+](=O)[O-] ZINC001539647564 1070673682 /nfs/dbraw/zinc/67/36/82/1070673682.db2.gz ZMJCEBXXSUAPRA-MRXNPFEDSA-N 1 0 361.442 2.527 20 5 FFBDRO C[C@@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001539746629 1070692007 /nfs/dbraw/zinc/69/20/07/1070692007.db2.gz QMAJNQNXWIERAV-CJNGLKHVSA-N 1 0 351.422 2.998 20 5 FFBDRO Cc1noc([C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C(C)C)n1 ZINC001474762069 1045786964 /nfs/dbraw/zinc/78/69/64/1045786964.db2.gz OQKBQUIHFGUZHO-MRXNPFEDSA-N 1 0 360.418 2.637 20 5 FFBDRO Cc1ccc([C@@H](C)NC(=O)c2ccn(-c3cc[nH+]cc3)n2)cc1[N+](=O)[O-] ZINC001322041837 1045930571 /nfs/dbraw/zinc/93/05/71/1045930571.db2.gz VKCFSFAXKJTOEO-CYBMUJFWSA-N 1 0 351.366 2.975 20 5 FFBDRO CC[NH+](CC)Cc1ccc(-c2nnc(CCn3cc([N+](=O)[O-])nc3C)o2)o1 ZINC001322455864 1046091254 /nfs/dbraw/zinc/09/12/54/1046091254.db2.gz LPGGXFZYMBPCHY-UHFFFAOYSA-N 1 0 374.401 2.827 20 5 FFBDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)C(=O)NCC(F)(F)F)cc1[N+](=O)[O-] ZINC001324946239 1046300587 /nfs/dbraw/zinc/30/05/87/1046300587.db2.gz RMQNMKBRMVIESY-VHSXEESVSA-N 1 0 363.336 2.711 20 5 FFBDRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001325220069 1046422390 /nfs/dbraw/zinc/42/23/90/1046422390.db2.gz KBHIBTBRGQORMK-AWEZNQCLSA-N 1 0 364.402 2.743 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC001325640405 1046591156 /nfs/dbraw/zinc/59/11/56/1046591156.db2.gz VKBJKEIPHGFLQM-UHFFFAOYSA-N 1 0 362.430 2.991 20 5 FFBDRO C[C@H](CC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)N(C)C(=O)OC(C)(C)C ZINC001326599440 1046995204 /nfs/dbraw/zinc/99/52/04/1046995204.db2.gz NUNADQJFFLPNSJ-CJNGLKHVSA-N 1 0 367.446 2.863 20 5 FFBDRO C[NH+]1CCN(C(C)(C)CNc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC001327604341 1047964878 /nfs/dbraw/zinc/96/48/78/1047964878.db2.gz PRRIOBVFIIFVOC-UHFFFAOYSA-N 1 0 371.279 2.795 20 5 FFBDRO O=C(NC[C@H]1C[NH2+]CCC1(F)F)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001331915449 1048169611 /nfs/dbraw/zinc/16/96/11/1048169611.db2.gz OVUILLFRQJNROI-CYBMUJFWSA-N 1 0 368.384 2.514 20 5 FFBDRO O=[N+]([O-])c1cnc(N2CCC[N@H+](C[C@@H]3CCCO3)CC2)c2ccccc21 ZINC001332182426 1048286420 /nfs/dbraw/zinc/28/64/20/1048286420.db2.gz BCKGASKTQUEZOC-HNNXBMFYSA-N 1 0 356.426 2.834 20 5 FFBDRO C[C@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)CN(C)C(=O)OC(C)(C)C ZINC001329139662 1048592928 /nfs/dbraw/zinc/59/29/28/1048592928.db2.gz CASWOPQADYLHDV-CJNGLKHVSA-N 1 0 367.446 2.721 20 5 FFBDRO C[C@@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)CN(C)C(=O)OC(C)(C)C ZINC001329139664 1048593129 /nfs/dbraw/zinc/59/31/29/1048593129.db2.gz CASWOPQADYLHDV-XJKSGUPXSA-N 1 0 367.446 2.721 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCN1C(=O)COc2ccccc21 ZINC001333320128 1048833864 /nfs/dbraw/zinc/83/38/64/1048833864.db2.gz ATEIHCGPGHIVII-CYBMUJFWSA-N 1 0 371.393 2.680 20 5 FFBDRO C[NH2+]C[C@H]1CCCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC001333684796 1049054404 /nfs/dbraw/zinc/05/44/04/1049054404.db2.gz ZEAJYLZFOMYFMW-CYBMUJFWSA-N 1 0 370.247 2.500 20 5 FFBDRO O=C(NC[C@H]1C[NH2+]CCC1(F)F)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001333771950 1049112449 /nfs/dbraw/zinc/11/24/49/1049112449.db2.gz PYPRMXBKWJQDLD-SECBINFHSA-N 1 0 367.274 2.588 20 5 FFBDRO CC[NH+](CC)C1CCN(S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)CC1 ZINC001330362847 1049145428 /nfs/dbraw/zinc/14/54/28/1049145428.db2.gz FUXGXTXHLVVYBG-UHFFFAOYSA-N 1 0 373.450 2.537 20 5 FFBDRO O=[N+]([O-])c1cnc(N2CC[NH2+][C@H](c3ccc(O)cc3)C2)c(C(F)(F)F)c1 ZINC001307199519 1049988190 /nfs/dbraw/zinc/98/81/90/1049988190.db2.gz UCLVYHKCVXFBIE-AWEZNQCLSA-N 1 0 368.315 2.865 20 5 FFBDRO Cn1ccnc1C(=O)c1ccc(NCC[N@@H+]2CCC(C)(C)C2)c([N+](=O)[O-])c1 ZINC001307230554 1050137081 /nfs/dbraw/zinc/13/70/81/1050137081.db2.gz WRWXJMSLQFKPAB-UHFFFAOYSA-N 1 0 371.441 2.703 20 5 FFBDRO NC(=O)N[C@@H]1CC[N@H+](Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC001341604387 1050230642 /nfs/dbraw/zinc/23/06/42/1050230642.db2.gz IWLHMWASNJERPN-LLVKDONJSA-N 1 0 364.789 2.751 20 5 FFBDRO Cn1c(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)ccc1[C@H]1CCCC[NH2+]1 ZINC001339947387 1050362201 /nfs/dbraw/zinc/36/22/01/1050362201.db2.gz ODYWUIFYCBCBFJ-OAHLLOKOSA-N 1 0 354.410 2.951 20 5 FFBDRO CN(C(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001342027304 1050626537 /nfs/dbraw/zinc/62/65/37/1050626537.db2.gz LZOYZDIAVHTJSJ-QLPKVWCKSA-N 1 0 361.467 2.919 20 5 FFBDRO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC001342197939 1050790511 /nfs/dbraw/zinc/79/05/11/1050790511.db2.gz DUHZBDYRUJCIQJ-SOLBZPMBSA-N 1 0 366.421 2.830 20 5 FFBDRO C[NH+](C)[C@@H]1C[C@H](NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C12CCC2 ZINC001301546129 1050917483 /nfs/dbraw/zinc/91/74/83/1050917483.db2.gz JHWUJMWBXHYEFR-UONOGXRCSA-N 1 0 369.368 2.799 20 5 FFBDRO C[N@@H+]1C[C@@]23CN(C(=O)NCc4cccc([N+](=O)[O-])c4)C[C@]2(C1)CCCC3 ZINC001340622340 1051001874 /nfs/dbraw/zinc/00/18/74/1051001874.db2.gz YBIIFBRMGBPARC-KDURUIRLSA-N 1 0 358.442 2.612 20 5 FFBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC001542262190 1071199118 /nfs/dbraw/zinc/19/91/18/1071199118.db2.gz DBZXEBCSJJZMBW-MJBXVCDLSA-N 1 0 351.422 2.759 20 5 FFBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001302177679 1051053245 /nfs/dbraw/zinc/05/32/45/1051053245.db2.gz HTVCKZNXUCUZOZ-VEGGFIAOSA-N 1 0 351.406 2.651 20 5 FFBDRO O=C(N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001340701327 1051065654 /nfs/dbraw/zinc/06/56/54/1051065654.db2.gz GSVMNPMTOCFPRV-YDZRNGNQSA-N 1 0 351.406 2.570 20 5 FFBDRO CCn1c(-c2ccc([N+](=O)[O-])o2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001340878162 1051210718 /nfs/dbraw/zinc/21/07/18/1051210718.db2.gz JDNPTKIWWSOKFH-AWEZNQCLSA-N 1 0 374.445 2.778 20 5 FFBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC001340940892 1051271095 /nfs/dbraw/zinc/27/10/95/1051271095.db2.gz MNYIRYZXMBTYFD-AWEZNQCLSA-N 1 0 357.435 2.761 20 5 FFBDRO C[C@H](CNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N)[NH+]1CCC(C)CC1 ZINC001542425753 1071232377 /nfs/dbraw/zinc/23/23/77/1071232377.db2.gz ZJCYZTXIHRKEFF-SNVBAGLBSA-N 1 0 372.828 2.820 20 5 FFBDRO [NH3+]C[C@@]12CC[C@H]1CCCN2C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001342958327 1051573919 /nfs/dbraw/zinc/57/39/19/1051573919.db2.gz DQFNLOHYWSQXSG-UZLBHIALSA-N 1 0 372.469 2.541 20 5 FFBDRO COc1ccc(CC(=O)N2C[C@H](CC[NH3+])Cc3ccccc32)cc1[N+](=O)[O-] ZINC001341254315 1051612283 /nfs/dbraw/zinc/61/22/83/1051612283.db2.gz CGOVISTXUWHSIM-OAHLLOKOSA-N 1 0 369.421 2.700 20 5 FFBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC001341278167 1051635890 /nfs/dbraw/zinc/63/58/90/1051635890.db2.gz VHJXTDTXSBLPDG-CQSZACIVSA-N 1 0 367.409 2.512 20 5 FFBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC001341278166 1051636041 /nfs/dbraw/zinc/63/60/41/1051636041.db2.gz VHJXTDTXSBLPDG-AWEZNQCLSA-N 1 0 367.409 2.512 20 5 FFBDRO C[NH+](C)CCc1ccc(CNC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC001343391616 1052201508 /nfs/dbraw/zinc/20/15/08/1052201508.db2.gz BVLSZVFQWIREHT-UHFFFAOYSA-N 1 0 368.437 2.924 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC001307799235 1052350928 /nfs/dbraw/zinc/35/09/28/1052350928.db2.gz NUVNAAOFFIOTKL-ZDUSSCGKSA-N 1 0 373.413 2.797 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@H]1c1ncccn1 ZINC001307947796 1052370450 /nfs/dbraw/zinc/37/04/50/1052370450.db2.gz WCGGEBUTJPSFFV-INIZCTEOSA-N 1 0 355.398 2.859 20 5 FFBDRO CN(C[C@@H]1CCCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1)C(=O)OC(C)(C)C ZINC001308083372 1052402124 /nfs/dbraw/zinc/40/21/24/1052402124.db2.gz HARTTXWOHIECOK-AWEZNQCLSA-N 1 0 367.450 2.513 20 5 FFBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC001308088606 1052403268 /nfs/dbraw/zinc/40/32/68/1052403268.db2.gz HQQOPGRXDJYSGE-GJZGRUSLSA-N 1 0 369.425 2.528 20 5 FFBDRO CCOc1ccc(C[NH2+]Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)cc1 ZINC001308224213 1052434098 /nfs/dbraw/zinc/43/40/98/1052434098.db2.gz QLBBLZJHYDKEBA-UHFFFAOYSA-N 1 0 374.393 2.835 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC001345560105 1052510272 /nfs/dbraw/zinc/51/02/72/1052510272.db2.gz MJEHUHPOZHKTRE-OXQOHEQNSA-N 1 0 367.405 2.889 20 5 FFBDRO CC(C)n1cc2c(n1)[C@@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)CCC2 ZINC001345632007 1052548314 /nfs/dbraw/zinc/54/83/14/1052548314.db2.gz DOOAGMJEPQEGDD-WMZOPIPTSA-N 1 0 374.441 2.779 20 5 FFBDRO O=[N+]([O-])c1ccc(C(F)(F)F)cc1N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC001346068358 1052731433 /nfs/dbraw/zinc/73/14/33/1052731433.db2.gz MPDVNYXPZIHNJX-OLZOCXBDSA-N 1 0 359.348 2.649 20 5 FFBDRO CCN(C(=O)c1ccc([N+](=O)[O-])cc1Br)[C@@H]1CCC[NH2+]C1 ZINC001346549596 1053097622 /nfs/dbraw/zinc/09/76/22/1053097622.db2.gz ZNWAFLXQPPLJTR-LLVKDONJSA-N 1 0 356.220 2.571 20 5 FFBDRO C[NH+](C)[C@@H](CNC(=O)Cc1cccc(F)c1[N+](=O)[O-])C1CCCCC1 ZINC001543062904 1071369549 /nfs/dbraw/zinc/36/95/49/1071369549.db2.gz DUUZQMQSDLYCEF-INIZCTEOSA-N 1 0 351.422 2.903 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(c3c(Br)cncc3[N+](=O)[O-])C[C@@H]2C1 ZINC001352098497 1055190338 /nfs/dbraw/zinc/19/03/38/1055190338.db2.gz HTDOHPYIVYLZGR-GRYCIOLGSA-N 1 0 369.263 2.919 20 5 FFBDRO CCn1c(-c2ccc([N+](=O)[O-])o2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001356350464 1055466711 /nfs/dbraw/zinc/46/67/11/1055466711.db2.gz BSWYXRVZINGTFF-ZDUSSCGKSA-N 1 0 360.418 2.531 20 5 FFBDRO CC[N@@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)C1 ZINC001350442083 1055777042 /nfs/dbraw/zinc/77/70/42/1055777042.db2.gz XMXATXKMMQCCJG-AWEZNQCLSA-N 1 0 366.437 2.714 20 5 FFBDRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3C)n2C)C1 ZINC001338796853 1055824153 /nfs/dbraw/zinc/82/41/53/1055824153.db2.gz GRAOZTROUBEMOY-HNNXBMFYSA-N 1 0 372.473 2.867 20 5 FFBDRO C[C@@H](CC(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-])C(F)(F)F ZINC001339184258 1056175882 /nfs/dbraw/zinc/17/58/82/1056175882.db2.gz HLYIPDMDRGUTAW-NSHDSACASA-N 1 0 374.363 2.874 20 5 FFBDRO O=C(COc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC001544705066 1071680196 /nfs/dbraw/zinc/68/01/96/1071680196.db2.gz XDWUFMDGQSWYDV-KRWDZBQOSA-N 1 0 361.442 2.887 20 5 FFBDRO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1c(Cl)cccc1[N+](=O)[O-] ZINC001443475486 1058211038 /nfs/dbraw/zinc/21/10/38/1058211038.db2.gz DJVCYDRUIAEXIS-ZDUSSCGKSA-N 1 0 367.833 2.621 20 5 FFBDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2N)C1 ZINC001445038636 1058361340 /nfs/dbraw/zinc/36/13/40/1058361340.db2.gz WJZUQIAZKKVJSJ-INIZCTEOSA-N 1 0 354.410 2.524 20 5 FFBDRO CCCc1n[nH]c(C(=O)NCCC2CC[NH+](C(C)C)CC2)c1[N+](=O)[O-] ZINC001454301537 1059492415 /nfs/dbraw/zinc/49/24/15/1059492415.db2.gz IIDHQILYHOBMSF-UHFFFAOYSA-N 1 0 351.451 2.511 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@]23C[N@H+](C)C[C@@]2(C1)CCCC3 ZINC001520250047 1059533784 /nfs/dbraw/zinc/53/37/84/1059533784.db2.gz DNFOXHFRVOKDJG-KDURUIRLSA-N 1 0 374.441 2.943 20 5 FFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CCC[N@H+](CC/C=C\c1ccccc1)C2 ZINC001506862103 1059574306 /nfs/dbraw/zinc/57/43/06/1059574306.db2.gz JKBNJPWGJCVZBJ-BRBAJZTQSA-N 1 0 369.465 2.680 20 5 FFBDRO C[C@H](C(=O)N1CC[NH2+][C@@H](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC001454585212 1059575518 /nfs/dbraw/zinc/57/55/18/1059575518.db2.gz VYWPYWPAARYBCV-YJBOKZPZSA-N 1 0 353.422 2.741 20 5 FFBDRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)c2cc3ccccc3c3cccnc23)C1 ZINC001454609429 1059583598 /nfs/dbraw/zinc/58/35/98/1059583598.db2.gz WTRZDZROPVSOAV-INIZCTEOSA-N 1 0 363.461 2.963 20 5 FFBDRO O=C1[C@H](c2ccc([N+](=O)[O-])cc2)CCN1C[N@@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000848481644 1060119552 /nfs/dbraw/zinc/11/95/52/1060119552.db2.gz BBVNPTUNUFXBNZ-LNLFQRSKSA-N 1 0 373.453 2.617 20 5 FFBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000848486969 1060133322 /nfs/dbraw/zinc/13/33/22/1060133322.db2.gz OWSPWWJQKHJXHI-QAPCUYQASA-N 1 0 355.442 2.974 20 5 FFBDRO CO[C@@H]1C[C@@H]([N@H+](C)CN2CC[C@H](c3ccc([N+](=O)[O-])cc3)C2=O)C12CCC2 ZINC000848489260 1060140403 /nfs/dbraw/zinc/14/04/03/1060140403.db2.gz RQIRPALYOGGQPJ-KZNAEPCWSA-N 1 0 373.453 2.758 20 5 FFBDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)C(F)(F)Oc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000848591731 1060324364 /nfs/dbraw/zinc/32/43/64/1060324364.db2.gz XILPTXBHYHAMAU-INIZCTEOSA-N 1 0 369.368 2.511 20 5 FFBDRO O=C(N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1cc(F)cc([N+](=O)[O-])c1 ZINC001355545760 1060346346 /nfs/dbraw/zinc/34/63/46/1060346346.db2.gz DMCSWZWVFHIWGB-APWZRJJASA-N 1 0 371.368 2.720 20 5 FFBDRO Cc1cc(C(=O)N[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)ccc1[N+](=O)[O-] ZINC001355560520 1060359684 /nfs/dbraw/zinc/35/96/84/1060359684.db2.gz ZTCPUYMZGVFMHT-OXQOHEQNSA-N 1 0 367.405 2.889 20 5 FFBDRO CC(C)Oc1nc(NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC001458084298 1060509106 /nfs/dbraw/zinc/50/91/06/1060509106.db2.gz DKIQJUYSPTYANN-KBPBESRZSA-N 1 0 352.435 2.688 20 5 FFBDRO O=[N+]([O-])c1cnc2ccccc2c1N1CC[NH2+][C@H](c2ccc(O)cc2)C1 ZINC001458563786 1060624234 /nfs/dbraw/zinc/62/42/34/1060624234.db2.gz MCRZZWNEWDGBQK-KRWDZBQOSA-N 1 0 350.378 3.000 20 5 FFBDRO CC[C@@H](c1ccccc1)[NH+]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC001459592405 1060778980 /nfs/dbraw/zinc/77/89/80/1060778980.db2.gz ZLTKOHWFRBEIQY-IBGZPJMESA-N 1 0 370.453 2.525 20 5 FFBDRO Cc1cc(S(=O)(=O)NCC[C@@H](C)[NH+]2CCCCC2)c(F)cc1[N+](=O)[O-] ZINC001475185818 1060986106 /nfs/dbraw/zinc/98/61/06/1060986106.db2.gz FPBPOPZUFFTMQR-CYBMUJFWSA-N 1 0 373.450 2.585 20 5 FFBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1C[C@H]2COC[C@@]2(c2ccccc2)C1 ZINC001460747401 1061087611 /nfs/dbraw/zinc/08/76/11/1061087611.db2.gz HIGYCEOPBMGTOS-FXAWDEMLSA-N 1 0 354.406 2.874 20 5 FFBDRO CCc1nnc(N(C)Cc2ccccc2[N+](=O)[O-])n1C[C@@H]1CC[N@@H+](CC)C1 ZINC001546421462 1061119269 /nfs/dbraw/zinc/11/92/69/1061119269.db2.gz GQOVFKFOXIWXBA-OAHLLOKOSA-N 1 0 372.473 2.727 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC1(OCCO)CCCCC1 ZINC001461800106 1061409155 /nfs/dbraw/zinc/40/91/55/1061409155.db2.gz VZBRNCQTHVFHPK-UHFFFAOYSA-N 1 0 352.431 2.795 20 5 FFBDRO CC[C@@H](C)N(CC)C(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001477130230 1061593822 /nfs/dbraw/zinc/59/38/22/1061593822.db2.gz HWLPMOWILLQJRX-CQSZACIVSA-N 1 0 363.462 2.999 20 5 FFBDRO O=C(NCc1ccc2c[nH+]cn2c1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC001436627276 1062752453 /nfs/dbraw/zinc/75/24/53/1062752453.db2.gz JXNZNEQABZYZBN-UHFFFAOYSA-N 1 0 362.292 2.774 20 5 FFBDRO CC(C)C[C@@H](CNC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)[NH+](C)C ZINC001464868651 1062883140 /nfs/dbraw/zinc/88/31/40/1062883140.db2.gz DHLRBRGDIICOHO-HNNXBMFYSA-N 1 0 359.430 2.691 20 5 FFBDRO CC(C)C[C@H](CNC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)[NH+](C)C ZINC001464868654 1062884619 /nfs/dbraw/zinc/88/46/19/1062884619.db2.gz DHLRBRGDIICOHO-OAHLLOKOSA-N 1 0 359.430 2.691 20 5 FFBDRO CC[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ccc(C(C)(C)C)cc1 ZINC001479843458 1063003970 /nfs/dbraw/zinc/00/39/70/1063003970.db2.gz DRFYSBXASKZQHP-QZTJIDSGSA-N 1 0 361.486 2.978 20 5 FFBDRO COc1ccc(CC(=O)N2[C@H](C)CCC[C@H]2CC[NH+](C)C)cc1[N+](=O)[O-] ZINC001533416203 1063294235 /nfs/dbraw/zinc/29/42/35/1063294235.db2.gz AXOZKACLHXNZAE-ZBFHGGJFSA-N 1 0 363.458 2.867 20 5 FFBDRO C[NH+](C)[C@H](CNC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1)c1ccsc1 ZINC001441006364 1063383952 /nfs/dbraw/zinc/38/39/52/1063383952.db2.gz NJDOKFVJHMHYFA-CYBMUJFWSA-N 1 0 368.846 2.925 20 5 FFBDRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1)C2 ZINC001468184122 1063940414 /nfs/dbraw/zinc/94/04/14/1063940414.db2.gz WTQZPDBWRVIOLD-QGZVFWFLSA-N 1 0 351.834 2.735 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH2+][C@@H](Cc3ccc(F)cc3)C2)c1 ZINC001470643993 1064395879 /nfs/dbraw/zinc/39/58/79/1064395879.db2.gz ZHSHCKPOUHCDCV-INIZCTEOSA-N 1 0 357.385 2.699 20 5 FFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCc2ccnc(N)c2C1 ZINC001470907442 1064485505 /nfs/dbraw/zinc/48/55/05/1064485505.db2.gz LCBKUCFHGAWYMU-UHFFFAOYSA-N 1 0 358.423 2.883 20 5 FFBDRO C[NH+](C)CC[C@H](NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)c1cccnc1 ZINC001471974240 1064875527 /nfs/dbraw/zinc/87/55/27/1064875527.db2.gz ZUSODBYVKNBCCD-HNNXBMFYSA-N 1 0 367.409 2.894 20 5 FFBDRO CC(C)Oc1ccccc1CNC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC001575813443 1078169618 /nfs/dbraw/zinc/16/96/18/1078169618.db2.gz DSFSVAXBINZJBH-LJQANCHMSA-N 1 0 357.410 2.872 20 5 FFBDRO C[N@H+](Cc1ccccc1)C1(CNc2cc[nH]c(=O)c2[N+](=O)[O-])CCOCC1 ZINC001472871720 1065163533 /nfs/dbraw/zinc/16/35/33/1065163533.db2.gz NJPDHOYQXVUUEH-UHFFFAOYSA-N 1 0 372.425 2.789 20 5 FFBDRO COC(=O)[C@@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1c1ccccc1 ZINC001473528116 1065279562 /nfs/dbraw/zinc/27/95/62/1065279562.db2.gz NJFLDPIWAKWEOO-RTBURBONSA-N 1 0 370.405 2.862 20 5 FFBDRO Cn1cc(CN2C[C@@]3(C)C[NH+](Cc4ccccc4)C[C@]3(C)C2)c([N+](=O)[O-])n1 ZINC001473718105 1065330100 /nfs/dbraw/zinc/33/01/00/1065330100.db2.gz FCISOGRZAFEJFH-WOJBJXKFSA-N 1 0 369.469 2.672 20 5 FFBDRO Cc1c(NC(=O)CC[N@@H+]2CC[C@H](c3cnccn3)C2)cccc1[N+](=O)[O-] ZINC001473833572 1065383887 /nfs/dbraw/zinc/38/38/87/1065383887.db2.gz MCTCTDAMAVBFEZ-AWEZNQCLSA-N 1 0 355.398 2.511 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@H]2[C@H]3CC[C@H](C3)[C@@]2(C)C1 ZINC001473841120 1065386057 /nfs/dbraw/zinc/38/60/57/1065386057.db2.gz VOFCRNHPMOPZJL-QRDCCXFBSA-N 1 0 359.426 2.910 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCc2cc(F)cc(F)c2C1 ZINC001473904171 1065414677 /nfs/dbraw/zinc/41/46/77/1065414677.db2.gz PFVILUXFOSVJLO-CQSZACIVSA-N 1 0 364.348 2.671 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1CNc1ccc(N2CC[NH+](C)CC2)nc1 ZINC001474064660 1065448913 /nfs/dbraw/zinc/44/89/13/1065448913.db2.gz RPNFIQKWYAUOQR-UHFFFAOYSA-N 1 0 355.442 2.971 20 5 FFBDRO CC1(C)C[NH2+]CC[C@H](NC(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)C1 ZINC001576478747 1078233400 /nfs/dbraw/zinc/23/34/00/1078233400.db2.gz MVRYKRNRUPAEMY-ZDUSSCGKSA-N 1 0 356.426 2.838 20 5 FFBDRO CN(CCC1CC1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCC[NH2+]1 ZINC001578461763 1078476719 /nfs/dbraw/zinc/47/67/19/1078476719.db2.gz ATONSZLWWADNLF-MRXNPFEDSA-N 1 0 370.457 2.842 20 5 FFBDRO C[NH2+]CCCn1c(N(C)CCc2ccccc2[N+](=O)[O-])nnc1C(C)(C)C ZINC001578698914 1078519380 /nfs/dbraw/zinc/51/93/80/1078519380.db2.gz NEWHEUUSNLIBGH-UHFFFAOYSA-N 1 0 374.489 2.772 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[NH2+]Cc3c(C)cccc32)c1 ZINC001578875104 1078538339 /nfs/dbraw/zinc/53/83/39/1078538339.db2.gz USLZSJCRGCCRBY-UHFFFAOYSA-N 1 0 355.394 2.800 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1nccc([C@H]2CC[NH2+]C2)n1 ZINC001579577236 1078644833 /nfs/dbraw/zinc/64/48/33/1078644833.db2.gz MQBPMJQYCUTRFX-ZDUSSCGKSA-N 1 0 355.398 2.639 20 5 FFBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)C[C@H]21 ZINC001580177493 1078760768 /nfs/dbraw/zinc/76/07/68/1078760768.db2.gz PFPQYDSOAYVFRD-OWYVNGRQSA-N 1 0 357.332 2.813 20 5 FFBDRO Cc1cc(-c2nn[nH]n2)cc(C)c1C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC001580614747 1078838582 /nfs/dbraw/zinc/83/85/82/1078838582.db2.gz MILHHWDHHMZWHN-UHFFFAOYSA-N 1 0 352.398 2.724 20 5 FFBDRO O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001580745742 1078853396 /nfs/dbraw/zinc/85/33/96/1078853396.db2.gz WNXOOAPJWYGQET-IYWMVGAKSA-N 1 0 365.433 2.960 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NC[C@H]1C[NH+]2CCC1CC2 ZINC001559301229 1076148457 /nfs/dbraw/zinc/14/84/57/1076148457.db2.gz QKYXVDSCAYBSEC-NSHDSACASA-N 1 0 353.806 2.789 20 5 FFBDRO CC(C)[C@H](CC[N@H+](C)CCn1ccc([N+](=O)[O-])n1)NC(=O)OC(C)(C)C ZINC001559571163 1076174381 /nfs/dbraw/zinc/17/43/81/1076174381.db2.gz MKXOVQXBMKCUSN-AWEZNQCLSA-N 1 0 369.466 2.663 20 5 FFBDRO CC(C)(C)OC(=O)NC[C@](C)([NH2+]Cc1cccnc1[N+](=O)[O-])C1CC1 ZINC001559626971 1076178314 /nfs/dbraw/zinc/17/83/14/1076178314.db2.gz ZQKXODUHHKMOLY-KRWDZBQOSA-N 1 0 350.419 2.773 20 5 FFBDRO C[C@H]1CC[N@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)[C@@H]1CO ZINC001559753925 1076187804 /nfs/dbraw/zinc/18/78/04/1076187804.db2.gz XUPROBMXIIYKKT-TVQRCGJNSA-N 1 0 352.778 2.501 20 5 FFBDRO CC[C@H](CO)[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC001560085189 1076223917 /nfs/dbraw/zinc/22/39/17/1076223917.db2.gz QCXROKSJUOCGPC-QGZVFWFLSA-N 1 0 371.437 2.831 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+]C(C)(C)[C@H]1CCCCO1 ZINC001560084669 1076224288 /nfs/dbraw/zinc/22/42/88/1076224288.db2.gz YABSKEGUMDRDPY-MRXNPFEDSA-N 1 0 365.430 2.869 20 5 FFBDRO COC(=O)C[C@H]([NH2+]CCOc1ccc(OC)cc1[N+](=O)[O-])C(C)(C)C ZINC001560172864 1076241302 /nfs/dbraw/zinc/24/13/02/1076241302.db2.gz JZIOGCJGWXSBBW-HNNXBMFYSA-N 1 0 354.403 2.550 20 5 FFBDRO C[C@@](CO)(Cc1ccccc1F)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001560183381 1076242736 /nfs/dbraw/zinc/24/27/36/1076242736.db2.gz NYIOKCKTWWNCFE-SFHVURJKSA-N 1 0 358.373 2.694 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)cc1F ZINC001561309338 1076360137 /nfs/dbraw/zinc/36/01/37/1076360137.db2.gz XVSUTUZMTMKEQX-ZDUSSCGKSA-N 1 0 373.450 2.537 20 5 FFBDRO Cc1ccc(S(=O)(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC001561474842 1076381906 /nfs/dbraw/zinc/38/19/06/1076381906.db2.gz RJGUOXSUSZBAOM-TZMCWYRMSA-N 1 0 369.487 2.610 20 5 FFBDRO CC1CC[NH+](C2CCC(NC(=O)c3[nH]nc([N+](=O)[O-])c3Cl)CC2)CC1 ZINC001566723502 1076978164 /nfs/dbraw/zinc/97/81/64/1076978164.db2.gz ILCUNZVCKUKFDU-UHFFFAOYSA-N 1 0 369.853 2.744 20 5 FFBDRO CC(C)C[N@@H+]1Cc2cccc(NC(=O)c3cnc(N)c([N+](=O)[O-])c3)c2C1 ZINC001566731219 1076978960 /nfs/dbraw/zinc/97/89/60/1076978960.db2.gz SMLUDHFRKGAGLL-UHFFFAOYSA-N 1 0 355.398 2.796 20 5 FFBDRO COc1ccc(NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC001566755227 1076980375 /nfs/dbraw/zinc/98/03/75/1076980375.db2.gz YMJNIJGENAAERN-CVEARBPZSA-N 1 0 355.394 2.887 20 5 FFBDRO C[N@H+](Cc1ccccc1)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1N)C1CC1 ZINC001567881116 1077057219 /nfs/dbraw/zinc/05/72/19/1077057219.db2.gz DBGNZLBSWIHGRB-LJQANCHMSA-N 1 0 368.437 2.817 20 5 FFBDRO C[N@@H+]1CCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C[C@@H]1C(C)(C)C ZINC001570910774 1077242153 /nfs/dbraw/zinc/24/21/53/1077242153.db2.gz RUGIYHDHILTPNK-QGZVFWFLSA-N 1 0 371.441 2.583 20 5 FFBDRO C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)c1ccccc1[N+](=O)[O-] ZINC001589871395 1080819957 /nfs/dbraw/zinc/81/99/57/1080819957.db2.gz WKUXBPFNUZCZQH-LLVKDONJSA-N 1 0 356.361 2.807 20 5 FFBDRO COc1cc(C[NH2+]C[C@]2(C)CCO[C@@H]2C2CC2)c([N+](=O)[O-])cc1OC ZINC000372983356 512117846 /nfs/dbraw/zinc/11/78/46/512117846.db2.gz URYXVSQFEUIZDA-MSOLQXFVSA-N 1 0 350.415 2.907 20 5 FFBDRO Cn1c(C(=O)N(CCCc2ccccc2)CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000409666228 512120194 /nfs/dbraw/zinc/12/01/94/512120194.db2.gz OAYQZHWURZGJRJ-UHFFFAOYSA-N 1 0 358.442 2.570 20 5 FFBDRO C[C@@H]1C[C@H]([N@H+](C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCN1C ZINC000093643725 250038315 /nfs/dbraw/zinc/03/83/15/250038315.db2.gz HMVXHNNZSXELAV-RDTXWAMCSA-N 1 0 357.458 2.910 20 5 FFBDRO COCCC[NH+]1CCC(NC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)CC1 ZINC000094093061 250053147 /nfs/dbraw/zinc/05/31/47/250053147.db2.gz AUNPZCMDGZXSNJ-UHFFFAOYSA-N 1 0 363.458 2.751 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)NCC[N@@H+]2CCC[C@H](C)C2)cc1SC ZINC000103070037 250133118 /nfs/dbraw/zinc/13/31/18/250133118.db2.gz ZUDREOYLPSYJSC-LBPRGKRZSA-N 1 0 367.471 2.787 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](CCO)Cc1ccccc1 ZINC000103140586 250136724 /nfs/dbraw/zinc/13/67/24/250136724.db2.gz CLKWOVWFHSIHQV-UHFFFAOYSA-N 1 0 357.410 2.726 20 5 FFBDRO CN1CCO[C@H](C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000105470997 250214077 /nfs/dbraw/zinc/21/40/77/250214077.db2.gz PBKXVWVSEXRUNH-CQSZACIVSA-N 1 0 365.817 2.928 20 5 FFBDRO CC1CCN(c2ccc(C(=O)NC3CCC([NH3+])CC3)cc2[N+](=O)[O-])CC1 ZINC000131910782 251029617 /nfs/dbraw/zinc/02/96/17/251029617.db2.gz WYTRWFPLVKENQX-UHFFFAOYSA-N 1 0 360.458 2.831 20 5 FFBDRO COc1cc(C[NH2+]C[C@@](C)(O)c2cccs2)c([N+](=O)[O-])cc1OC ZINC000153002578 251090057 /nfs/dbraw/zinc/09/00/57/251090057.db2.gz BVPCLQPILZBFQY-MRXNPFEDSA-N 1 0 352.412 2.671 20 5 FFBDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000181083671 251237639 /nfs/dbraw/zinc/23/76/39/251237639.db2.gz UOBVZCVBKKPJBJ-GJZGRUSLSA-N 1 0 360.458 2.904 20 5 FFBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000264603752 251321065 /nfs/dbraw/zinc/32/10/65/251321065.db2.gz YCEGCMSWBYGDFL-QGZVFWFLSA-N 1 0 356.426 2.636 20 5 FFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC1(CO)CCOCC1 ZINC000271542749 251819802 /nfs/dbraw/zinc/81/98/02/251819802.db2.gz TUBMCKZBSMIZEN-AWEZNQCLSA-N 1 0 354.472 2.844 20 5 FFBDRO O=C(N1CC[C@H](C[NH+]2CCCC2)C1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272296007 252003551 /nfs/dbraw/zinc/00/35/51/252003551.db2.gz GGNRVYKKHMBFOO-CYBMUJFWSA-N 1 0 353.369 2.631 20 5 FFBDRO CC[C@H](CN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)[NH+]1CCCC1 ZINC000272586778 252074479 /nfs/dbraw/zinc/07/44/79/252074479.db2.gz ZFLQCZVOCBHKKR-AEFFLSMTSA-N 1 0 357.458 2.882 20 5 FFBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3)[C@H]2C1 ZINC000272604403 252078500 /nfs/dbraw/zinc/07/85/00/252078500.db2.gz YYBYDVUWTAOWQY-YGRLFVJLSA-N 1 0 368.231 2.524 20 5 FFBDRO CS[C@H]1CN(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)C[C@@H]1[NH+](C)C ZINC000272625292 252085145 /nfs/dbraw/zinc/08/51/45/252085145.db2.gz VPHMIHHSDDZAOR-KBPBESRZSA-N 1 0 352.460 2.721 20 5 FFBDRO Cc1cc(N2CCC(NC(=O)C3CC3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272802792 252135441 /nfs/dbraw/zinc/13/54/41/252135441.db2.gz FCNOOAXRSYUBOX-UHFFFAOYSA-N 1 0 354.410 2.946 20 5 FFBDRO Cc1ccnc(OC2CC[NH+](C[C@H](O)c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000272975788 252180040 /nfs/dbraw/zinc/18/00/40/252180040.db2.gz POXJPZKVPRTHML-SFHVURJKSA-N 1 0 357.410 2.875 20 5 FFBDRO Cc1c(C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000273033241 252196970 /nfs/dbraw/zinc/19/69/70/252196970.db2.gz VFMSUUKAYJLZJI-LBPRGKRZSA-N 1 0 362.386 2.500 20 5 FFBDRO Cc1cc([N+](=O)[O-])cnc1NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000273079661 252210318 /nfs/dbraw/zinc/21/03/18/252210318.db2.gz HDBPKLIURKBYES-QGZVFWFLSA-N 1 0 356.426 2.867 20 5 FFBDRO CC(=O)c1ccc(NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000273196016 252247511 /nfs/dbraw/zinc/24/75/11/252247511.db2.gz NOYSJHLLKWSLCF-SFHVURJKSA-N 1 0 369.421 2.976 20 5 FFBDRO CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c(C)s2)C[C@H]1[NH+]1CCCC1 ZINC000273490611 252316302 /nfs/dbraw/zinc/31/63/02/252316302.db2.gz KONYRQAVZZRYEZ-TZMCWYRMSA-N 1 0 355.485 2.617 20 5 FFBDRO O=C(C[N@@H+]1CC[C@H]([C@H]2CCOC2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000366649108 512123104 /nfs/dbraw/zinc/12/31/04/512123104.db2.gz CGNREDMQFOLABG-RYUDHWBXSA-N 1 0 353.806 2.545 20 5 FFBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000276729226 256124962 /nfs/dbraw/zinc/12/49/62/256124962.db2.gz SYUZVADSOSRKAW-CHWSQXEVSA-N 1 0 369.849 2.786 20 5 FFBDRO Cc1c([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)cccc1[N+](=O)[O-] ZINC000285766617 257003648 /nfs/dbraw/zinc/00/36/48/257003648.db2.gz SYOKZQPTAQGVBD-XYTVBORESA-N 1 0 374.485 2.637 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])c(N2CCC[C@H]([NH+](C)C)CC2)cc1Cl ZINC000276958468 256146407 /nfs/dbraw/zinc/14/64/07/256146407.db2.gz CMTJTOSQGUWDGD-NSHDSACASA-N 1 0 355.822 2.955 20 5 FFBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000277753674 256235488 /nfs/dbraw/zinc/23/54/88/256235488.db2.gz CIBUAJBVCWQMSV-INIZCTEOSA-N 1 0 356.426 2.752 20 5 FFBDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000278746291 256343694 /nfs/dbraw/zinc/34/36/94/256343694.db2.gz UMXWQNUBEVVIDX-ZDUSSCGKSA-N 1 0 353.850 2.933 20 5 FFBDRO Cc1nn(C)c(C[NH2+]CCc2ccccc2[N+](=O)[O-])c1Br ZINC000279048955 256375616 /nfs/dbraw/zinc/37/56/16/256375616.db2.gz DGGBMZNJRSFMAL-UHFFFAOYSA-N 1 0 353.220 2.732 20 5 FFBDRO C[NH+](C)[C@@H](CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000071862570 221384187 /nfs/dbraw/zinc/38/41/87/221384187.db2.gz ROISKPZMIQUSSF-INIZCTEOSA-N 1 0 353.382 2.504 20 5 FFBDRO C[N@H+](CCc1nc(-c2ccccc2)no1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000285880749 257009366 /nfs/dbraw/zinc/00/93/66/257009366.db2.gz JKCKREACFLNXFI-QGZVFWFLSA-N 1 0 368.393 2.853 20 5 FFBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000287029090 257067769 /nfs/dbraw/zinc/06/77/69/257067769.db2.gz SFUJGLLBHZIENR-CZUORRHYSA-N 1 0 357.414 2.703 20 5 FFBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N(C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000287431544 257089091 /nfs/dbraw/zinc/08/90/91/257089091.db2.gz OQCREJUXNRXBKU-MRXNPFEDSA-N 1 0 362.474 2.899 20 5 FFBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000288306578 257172544 /nfs/dbraw/zinc/17/25/44/257172544.db2.gz IHLDWEMEEKOWPV-SWLSCSKDSA-N 1 0 351.834 2.876 20 5 FFBDRO COC(=O)CCn1nc(C)c(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])c1C ZINC000289379151 257277671 /nfs/dbraw/zinc/27/76/71/257277671.db2.gz MHVYWBZSANVYBX-UHFFFAOYSA-N 1 0 374.441 2.646 20 5 FFBDRO O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000289283482 257271418 /nfs/dbraw/zinc/27/14/18/257271418.db2.gz QLBXXSZYWBFJBW-HXUWFJFHSA-N 1 0 372.469 2.801 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N3CC[C@H]4C[NH2+]C[C@H]4C3)cc2[N+](=O)[O-])CC1 ZINC000290254778 257322235 /nfs/dbraw/zinc/32/22/35/257322235.db2.gz WVHSQSVTMQSNHG-IRXDYDNUSA-N 1 0 372.469 2.513 20 5 FFBDRO C[C@@H]1CCC[C@@](CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])([NH+](C)C)C1 ZINC000301102690 258025464 /nfs/dbraw/zinc/02/54/64/258025464.db2.gz RWFQCLXYJIXYTD-CXAGYDPISA-N 1 0 369.487 2.921 20 5 FFBDRO CN(C(=O)c1cccc([N+](=O)[O-])c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000299699260 258017777 /nfs/dbraw/zinc/01/77/77/258017777.db2.gz PVEAXQUXYNFHQP-UHFFFAOYSA-N 1 0 368.437 2.769 20 5 FFBDRO C[C@@H](CC[NH+]1CCN(C)CC1)Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000302305630 258098810 /nfs/dbraw/zinc/09/88/10/258098810.db2.gz ZKSABRDKGYKQPQ-LBPRGKRZSA-N 1 0 371.279 2.795 20 5 FFBDRO CCOc1cc(NC2CC[NH+](C3CCN(C)CC3)CC2)ccc1[N+](=O)[O-] ZINC000301494879 258052504 /nfs/dbraw/zinc/05/25/04/258052504.db2.gz AGLWINNHXRDUBB-UHFFFAOYSA-N 1 0 362.474 2.964 20 5 FFBDRO Cn1ccnc1C(=O)c1ccc(N[C@H]2CCC[C@H]([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000301506426 258053116 /nfs/dbraw/zinc/05/31/16/258053116.db2.gz CWJCUXYVKGSNAV-GJZGRUSLSA-N 1 0 371.441 2.844 20 5 FFBDRO C[C@H]1C[NH+](CCCCNc2nc3sccn3c2[N+](=O)[O-])C[C@H](C)O1 ZINC000301551683 258055476 /nfs/dbraw/zinc/05/54/76/258055476.db2.gz HCOCEWJQSCPFSS-RYUDHWBXSA-N 1 0 353.448 2.605 20 5 FFBDRO CC(C)[N@H+](C)CCNc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl ZINC000301594035 258057716 /nfs/dbraw/zinc/05/77/16/258057716.db2.gz YIVMEYXIZNLLAK-UHFFFAOYSA-N 1 0 365.821 2.546 20 5 FFBDRO C[NH+](C)[C@@H](CNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2)C1CCCCC1 ZINC000301667489 258062192 /nfs/dbraw/zinc/06/21/92/258062192.db2.gz CSXLGAQIXZOVJR-INIZCTEOSA-N 1 0 362.430 2.848 20 5 FFBDRO C[C@H]1CCCC[N@@H+]1CCCCNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000301703870 258063876 /nfs/dbraw/zinc/06/38/76/258063876.db2.gz URWCLHHFNSLDID-ZDUSSCGKSA-N 1 0 362.430 2.992 20 5 FFBDRO Cc1cnc(N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000301731034 258065374 /nfs/dbraw/zinc/06/53/74/258065374.db2.gz SLCAWAHEQKRRNU-IAGOWNOFSA-N 1 0 356.426 2.593 20 5 FFBDRO CNC(=O)c1ccc(N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000301826375 258069447 /nfs/dbraw/zinc/06/94/47/258069447.db2.gz JEEOUYIKFUQJAT-WMZOPIPTSA-N 1 0 372.400 2.951 20 5 FFBDRO C[NH+](C)CC1CCC(Nc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000301886250 258072893 /nfs/dbraw/zinc/07/28/93/258072893.db2.gz MIJKTYJQKWMOJJ-UHFFFAOYSA-N 1 0 355.460 2.531 20 5 FFBDRO C[C@@H](CNc1ccc([N+](=O)[O-])c(OC(C)(C)C)c1)N1CC[NH+](C)CC1 ZINC000301899786 258073797 /nfs/dbraw/zinc/07/37/97/258073797.db2.gz YKYHXZBWNJEQIJ-AWEZNQCLSA-N 1 0 350.463 2.820 20 5 FFBDRO COc1cc(CN2C[C@H](C)[N@H+](C)C[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000330585613 258166047 /nfs/dbraw/zinc/16/60/47/258166047.db2.gz LJAPIOUJKGVGSN-QWRGUYRKSA-N 1 0 359.373 2.729 20 5 FFBDRO CC[NH+]1C[C@H](C)N(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000331338418 258182587 /nfs/dbraw/zinc/18/25/87/258182587.db2.gz JLLUXJGXZKSLPI-RYUDHWBXSA-N 1 0 354.838 2.601 20 5 FFBDRO COc1cc(CN2C[C@H](SC)[C@@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])cc1F ZINC000332084505 258213234 /nfs/dbraw/zinc/21/32/34/258213234.db2.gz PUJGYSJWMUZYFR-RDJZCZTQSA-N 1 0 369.462 2.754 20 5 FFBDRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(Br)cc1[N+](=O)[O-] ZINC000332228245 258219878 /nfs/dbraw/zinc/21/98/78/258219878.db2.gz CQYPJFWXOBIUPW-QWHCGFSZSA-N 1 0 368.231 2.714 20 5 FFBDRO C[C@H]1CCCN(c2ccc(C(=O)N3CC[C@H](C[NH+](C)C)C3)cc2[N+](=O)[O-])C1 ZINC000332438448 258230525 /nfs/dbraw/zinc/23/05/25/258230525.db2.gz ZHVVDDQMRRVNMN-JKSUJKDBSA-N 1 0 374.485 2.855 20 5 FFBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H](c3nc4ccc(F)cc4o3)C2)c1 ZINC000370945257 512146514 /nfs/dbraw/zinc/14/65/14/512146514.db2.gz UACDKDMVABIFKG-GFCCVEGCSA-N 1 0 359.361 2.951 20 5 FFBDRO C[C@H]1C[C@@H](N(C)C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000121870054 508436437 /nfs/dbraw/zinc/43/64/37/508436437.db2.gz AXTBWXRWQFSWJJ-GWCFXTLKSA-N 1 0 370.247 2.912 20 5 FFBDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000120827963 509072043 /nfs/dbraw/zinc/07/20/43/509072043.db2.gz ZDGBXKCOGHHJMF-JTQLQIEISA-N 1 0 358.236 2.817 20 5 FFBDRO CNC(=O)c1ccc(N2CCC[C@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)c([N+](=O)[O-])c1 ZINC000064914733 506239398 /nfs/dbraw/zinc/23/93/98/506239398.db2.gz XCADOIVKZFPPCA-LZWOXQAQSA-N 1 0 360.458 2.796 20 5 FFBDRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000053303787 506351241 /nfs/dbraw/zinc/35/12/41/506351241.db2.gz SPJZKVXEAVORIX-GJZGRUSLSA-N 1 0 363.458 2.846 20 5 FFBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000065792524 506367379 /nfs/dbraw/zinc/36/73/79/506367379.db2.gz MUWXEPBNTBGWTB-AWEZNQCLSA-N 1 0 369.487 2.558 20 5 FFBDRO C[N@@H+]1CC[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(F)cc1 ZINC000371063017 512199452 /nfs/dbraw/zinc/19/94/52/512199452.db2.gz MQNMTFMQZGDEQC-MJGOQNOKSA-N 1 0 357.385 2.838 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CC[C@H](C4CCOCC4)C3)o2)cc1 ZINC000371072565 512205825 /nfs/dbraw/zinc/20/58/25/512205825.db2.gz CIRAAZYPOUKXLU-HNNXBMFYSA-N 1 0 358.398 2.893 20 5 FFBDRO CCC[NH+]1CCC(N(C)C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000065876454 506384798 /nfs/dbraw/zinc/38/47/98/506384798.db2.gz VNVDNESPALOTLB-UHFFFAOYSA-N 1 0 358.442 2.882 20 5 FFBDRO Cc1cccc(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)c1[N+](=O)[O-] ZINC000053989924 506471342 /nfs/dbraw/zinc/47/13/42/506471342.db2.gz HNPONXVXSKKSHK-UHFFFAOYSA-N 1 0 354.410 2.693 20 5 FFBDRO COc1cccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2F)[NH+](C)C)c1 ZINC000054059866 506485224 /nfs/dbraw/zinc/48/52/24/506485224.db2.gz XUSDURAOIKEHBK-KRWDZBQOSA-N 1 0 361.373 2.775 20 5 FFBDRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000054644070 506594367 /nfs/dbraw/zinc/59/43/67/506594367.db2.gz WKRMZQVYNFQWDO-SFHVURJKSA-N 1 0 370.453 2.609 20 5 FFBDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000066725835 506624467 /nfs/dbraw/zinc/62/44/67/506624467.db2.gz UPPJOVIEFCPOLA-UHFFFAOYSA-N 1 0 373.457 2.637 20 5 FFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000371241211 512285285 /nfs/dbraw/zinc/28/52/85/512285285.db2.gz BXDSDVHBAXWBER-CZUORRHYSA-N 1 0 351.834 2.781 20 5 FFBDRO O=C(NCc1ccccc1[N+](=O)[O-])NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000043167814 506714725 /nfs/dbraw/zinc/71/47/25/506714725.db2.gz JUCRJEKDUXNMCB-INIZCTEOSA-N 1 0 358.398 2.824 20 5 FFBDRO COc1cc(C(=O)NCc2ccccc2C[NH+](C)C)c([N+](=O)[O-])cc1OC ZINC000009916966 506717308 /nfs/dbraw/zinc/71/73/08/506717308.db2.gz PHAOTCNJZFMHAE-UHFFFAOYSA-N 1 0 373.409 2.604 20 5 FFBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000055401645 506743052 /nfs/dbraw/zinc/74/30/52/506743052.db2.gz JTCSABFOQZVDNW-ZIAGYGMSSA-N 1 0 351.472 2.924 20 5 FFBDRO O=C(COc1ccccc1[N+](=O)[O-])NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000010447028 506742847 /nfs/dbraw/zinc/74/28/47/506742847.db2.gz YQDHGBKYZJBDIF-MRXNPFEDSA-N 1 0 373.409 2.910 20 5 FFBDRO O=C(C[NH2+]C1(C2CC2)CCOCC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000367019681 512300126 /nfs/dbraw/zinc/30/01/26/512300126.db2.gz DLACAHYQNDPJLT-UHFFFAOYSA-N 1 0 353.806 2.736 20 5 FFBDRO C[NH+](C)Cc1cccc(CNC(=O)CCOc2ccccc2[N+](=O)[O-])c1 ZINC000067793556 507011605 /nfs/dbraw/zinc/01/16/05/507011605.db2.gz XCYSYQLCVHRCSI-UHFFFAOYSA-N 1 0 357.410 2.742 20 5 FFBDRO Cc1c(NC(=O)[C@@H](C)N2CC[NH+](C3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000045768820 507016639 /nfs/dbraw/zinc/01/66/39/507016639.db2.gz XYHBLUWBUCZQPP-OAHLLOKOSA-N 1 0 360.458 2.790 20 5 FFBDRO NC(=O)c1ccc(NC[C@@H](c2ccco2)[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000015170594 507023840 /nfs/dbraw/zinc/02/38/40/507023840.db2.gz BSEGBKCQZCIKIM-INIZCTEOSA-N 1 0 358.398 2.926 20 5 FFBDRO CC(C)(C)CC[NH+]1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000068116095 507117645 /nfs/dbraw/zinc/11/76/45/507117645.db2.gz HSPCPKWNRYNLBP-UHFFFAOYSA-N 1 0 359.430 2.665 20 5 FFBDRO C[C@H](CNC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000068195861 507144301 /nfs/dbraw/zinc/14/43/01/507144301.db2.gz VDDVPDOWMFPUOC-MNOVXSKESA-N 1 0 355.822 2.614 20 5 FFBDRO CC[NH+](CC)CCOc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000046890214 507217839 /nfs/dbraw/zinc/21/78/39/507217839.db2.gz YGLUZSIPGBVPQJ-UHFFFAOYSA-N 1 0 361.398 2.838 20 5 FFBDRO Cc1cccc(C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)c1[N+](=O)[O-] ZINC000057273962 507225238 /nfs/dbraw/zinc/22/52/38/507225238.db2.gz GKIYLTVIVQYJBI-UHFFFAOYSA-N 1 0 368.437 2.903 20 5 FFBDRO CC(C)[N@@H+]1CCCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000069083248 507401793 /nfs/dbraw/zinc/40/17/93/507401793.db2.gz NNWNQTMKKICRMJ-UHFFFAOYSA-N 1 0 354.838 2.603 20 5 FFBDRO C[NH+](C)[C@@H](CNC(=O)NCCOc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000069149468 507421181 /nfs/dbraw/zinc/42/11/81/507421181.db2.gz FPTJSXQTWYQUME-SFHVURJKSA-N 1 0 372.425 2.576 20 5 FFBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000027748313 507680180 /nfs/dbraw/zinc/68/01/80/507680180.db2.gz BLTMZCGMGIZNBS-MRXNPFEDSA-N 1 0 374.485 2.802 20 5 FFBDRO CC[NH+]1CCC(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000051341922 507764623 /nfs/dbraw/zinc/76/46/23/507764623.db2.gz HDGGFHBHIJORCM-UHFFFAOYSA-N 1 0 360.439 2.932 20 5 FFBDRO CC(C)[C@H](CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000029622196 507784731 /nfs/dbraw/zinc/78/47/31/507784731.db2.gz NCRSKIGORALWQJ-SFHVURJKSA-N 1 0 373.457 3.000 20 5 FFBDRO O=[N+]([O-])c1cc(CN2CCC([NH+]3CCCCC3)CC2)c2c(c1)COCO2 ZINC000052004090 507792840 /nfs/dbraw/zinc/79/28/40/507792840.db2.gz PGVYXEDGVCZDRY-UHFFFAOYSA-N 1 0 361.442 2.912 20 5 FFBDRO CC(C)[N@H+](C)CCCNC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000064724357 507807192 /nfs/dbraw/zinc/80/71/92/507807192.db2.gz SDHPHTOANKNQFZ-LBPRGKRZSA-N 1 0 357.838 2.862 20 5 FFBDRO C[NH+](C)CCCOc1ccc(NC(=O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000107193442 507837320 /nfs/dbraw/zinc/83/73/20/507837320.db2.gz HXXLLOXMRMOWLY-UHFFFAOYSA-N 1 0 373.409 2.943 20 5 FFBDRO Cc1nn(CCC(=O)Nc2ccc(C)cc2C[NH+](C)C)c(C)c1[N+](=O)[O-] ZINC000072840646 507861199 /nfs/dbraw/zinc/86/11/99/507861199.db2.gz NMIGYWGTFBCNPL-UHFFFAOYSA-N 1 0 359.430 2.807 20 5 FFBDRO CC[C@H]1C[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CCS1 ZINC000072861827 507865955 /nfs/dbraw/zinc/86/59/55/507865955.db2.gz GSZDWZXFFVFREV-ZDUSSCGKSA-N 1 0 351.428 2.720 20 5 FFBDRO C[NH+](C)[C@@H](CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])c1ccco1 ZINC000073868626 507962746 /nfs/dbraw/zinc/96/27/46/507962746.db2.gz FIPZKQJVXITPOP-INIZCTEOSA-N 1 0 358.398 2.795 20 5 FFBDRO CCc1nn(C)c(N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000091729099 508005688 /nfs/dbraw/zinc/00/56/88/508005688.db2.gz CGYBOIAZYMBQHD-MRXNPFEDSA-N 1 0 357.458 2.849 20 5 FFBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000074321138 508012001 /nfs/dbraw/zinc/01/20/01/508012001.db2.gz CJUAHTVHEHZEJP-INIZCTEOSA-N 1 0 370.453 2.740 20 5 FFBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNc2ncc([N+](=O)[O-])c(N)n2)cc1 ZINC000079906324 508013374 /nfs/dbraw/zinc/01/33/74/508013374.db2.gz KCRVHNFUPBXALY-CYBMUJFWSA-N 1 0 356.430 2.954 20 5 FFBDRO C[C@H]1CCCC[N@@H+]1CCCCNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000079929710 508016167 /nfs/dbraw/zinc/01/61/67/508016167.db2.gz CYVPSBXFQIOJQE-ZDUSSCGKSA-N 1 0 359.430 2.898 20 5 FFBDRO C[C@H]1C[C@H](C)C[NH+](CCCNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])C1 ZINC000079927695 508016305 /nfs/dbraw/zinc/01/63/05/508016305.db2.gz AEODEMXAFFDFST-STQMWFEESA-N 1 0 359.430 2.611 20 5 FFBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@H](CCC(N)=O)C1 ZINC000110627277 508037968 /nfs/dbraw/zinc/03/79/68/508037968.db2.gz UACJYQOQOGUXQF-CHWSQXEVSA-N 1 0 373.413 2.683 20 5 FFBDRO C[C@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2C(N)=O)CC[N@@H+]1Cc1ccccc1 ZINC000080230708 508054194 /nfs/dbraw/zinc/05/41/94/508054194.db2.gz ZEJJLJIALRSMQQ-ZFWWWQNUSA-N 1 0 369.425 2.554 20 5 FFBDRO C[C@H](CNC(=O)CNc1ccccc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000110965704 508060850 /nfs/dbraw/zinc/06/08/50/508060850.db2.gz YHFINTVPEUVFJE-OAHLLOKOSA-N 1 0 356.426 2.643 20 5 FFBDRO CN1CC[NH+](CCCCNc2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000092606985 508086672 /nfs/dbraw/zinc/08/66/72/508086672.db2.gz XIMNPCZHJHACCO-UHFFFAOYSA-N 1 0 358.389 2.636 20 5 FFBDRO CNc1ccc(C(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000081127247 508140137 /nfs/dbraw/zinc/14/01/37/508140137.db2.gz GDRDOZGNQOIUKN-QGZVFWFLSA-N 1 0 368.437 2.983 20 5 FFBDRO COc1cc(C[N@H+](CCO)CCc2ccccc2)c([N+](=O)[O-])cc1OC ZINC000093389683 508143482 /nfs/dbraw/zinc/14/34/82/508143482.db2.gz QLDFAWUVVSJFKW-UHFFFAOYSA-N 1 0 360.410 2.649 20 5 FFBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000081361073 508167161 /nfs/dbraw/zinc/16/71/61/508167161.db2.gz WHWZCDYLAIEFOE-HNNXBMFYSA-N 1 0 371.441 2.584 20 5 FFBDRO C[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCc2ccccc2C1 ZINC000114489958 508320896 /nfs/dbraw/zinc/32/08/96/508320896.db2.gz HBFABCLKBNOQIX-MJGOQNOKSA-N 1 0 356.422 2.824 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@H](C(C)C)[NH+]1CCCC1 ZINC000105168830 508363779 /nfs/dbraw/zinc/36/37/79/508363779.db2.gz CKBKLNRFKODPRQ-MRXNPFEDSA-N 1 0 364.446 2.523 20 5 FFBDRO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000106787613 508404534 /nfs/dbraw/zinc/40/45/34/508404534.db2.gz UKQFHYFEZWTSNZ-HNNXBMFYSA-N 1 0 358.442 2.916 20 5 FFBDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C1 ZINC000156413759 508417121 /nfs/dbraw/zinc/41/71/21/508417121.db2.gz YFKZRPKJNWPDDT-CABCVRRESA-N 1 0 360.458 2.785 20 5 FFBDRO CC[NH+](CC)CCCNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000133631878 508426805 /nfs/dbraw/zinc/42/68/05/508426805.db2.gz HTOQOCSNZRNXMU-UHFFFAOYSA-N 1 0 372.263 2.748 20 5 FFBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@H](c3nncn3C3CC3)C2)c1 ZINC000152454422 508450197 /nfs/dbraw/zinc/45/01/97/508450197.db2.gz NNPNIXXICKMANO-AWEZNQCLSA-N 1 0 357.414 2.780 20 5 FFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000156687926 508462487 /nfs/dbraw/zinc/46/24/87/508462487.db2.gz CELXJNXCAQZVCB-WBMJQRKESA-N 1 0 372.400 2.566 20 5 FFBDRO CC[C@@H]1CN(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)CC[N@@H+]1CCOC ZINC000127561913 508469189 /nfs/dbraw/zinc/46/91/89/508469189.db2.gz PLLQUDYBQBVUFE-OAHLLOKOSA-N 1 0 364.446 2.786 20 5 FFBDRO C[NH+](C)CC[C@H](NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)C(C)(C)C ZINC000116467030 508517896 /nfs/dbraw/zinc/51/78/96/508517896.db2.gz PZWAOTPZKVEZTH-INIZCTEOSA-N 1 0 374.441 2.533 20 5 FFBDRO CCCC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000152830233 508522452 /nfs/dbraw/zinc/52/24/52/508522452.db2.gz BQRBWTAAWBILBT-QGZVFWFLSA-N 1 0 369.487 2.669 20 5 FFBDRO [NH3+]C1(CNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CCCCCC1 ZINC000122449796 508537158 /nfs/dbraw/zinc/53/71/58/508537158.db2.gz UDELRQRHFAMBRQ-UHFFFAOYSA-N 1 0 357.414 2.562 20 5 FFBDRO C[NH+](C)CC1CCC(Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000128069633 508543040 /nfs/dbraw/zinc/54/30/40/508543040.db2.gz UTJCEEHCANVHLK-UHFFFAOYSA-N 1 0 355.460 2.531 20 5 FFBDRO CCOc1ccc(OC[C@@H](O)CN2CCc3c(cccc3[N+](=O)[O-])C2)cc1 ZINC000153055946 508543236 /nfs/dbraw/zinc/54/32/36/508543236.db2.gz UBVGYQVOUXFAQR-INIZCTEOSA-N 1 0 372.421 2.792 20 5 FFBDRO O=C(CN1CCc2c(cccc2[N+](=O)[O-])C1)NCc1ccc(Cl)cc1 ZINC000153070607 508544502 /nfs/dbraw/zinc/54/45/02/508544502.db2.gz DKHLDACKXSARQD-UHFFFAOYSA-N 1 0 359.813 2.923 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NCCC[NH+]1CCC(C)CC1 ZINC000122868789 508599437 /nfs/dbraw/zinc/59/94/37/508599437.db2.gz OFHUNVIOOHFGLU-UHFFFAOYSA-N 1 0 350.419 2.847 20 5 FFBDRO C[NH+](C)CC[C@@H](NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)C(C)(C)C ZINC000157899985 508630007 /nfs/dbraw/zinc/63/00/07/508630007.db2.gz ROPLDSNOHQKNQO-QGZVFWFLSA-N 1 0 373.457 2.877 20 5 FFBDRO O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccccc1C[NH+]1CCC(O)CC1 ZINC000135620885 508633576 /nfs/dbraw/zinc/63/35/76/508633576.db2.gz OUKBBULUKOSHLO-UHFFFAOYSA-N 1 0 369.421 2.733 20 5 FFBDRO CCCCN(C)C(=O)C1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000153752638 508642001 /nfs/dbraw/zinc/64/20/01/508642001.db2.gz ZVXQNIUCCDOGCC-SFHVURJKSA-N 1 0 363.458 2.599 20 5 FFBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000136125781 508672496 /nfs/dbraw/zinc/67/24/96/508672496.db2.gz XEJOJWALQGQFDZ-HNNXBMFYSA-N 1 0 358.442 2.951 20 5 FFBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000153938117 508681226 /nfs/dbraw/zinc/68/12/26/508681226.db2.gz FCQCBNLWFDTSHT-MAUKXSAKSA-N 1 0 372.469 2.872 20 5 FFBDRO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000136893896 508723059 /nfs/dbraw/zinc/72/30/59/508723059.db2.gz UBUDSOHOMVXJDQ-LIRRHRJNSA-N 1 0 367.409 2.902 20 5 FFBDRO O=[N+]([O-])c1cc(C[NH2+][C@H](CCO)C2CCCCC2)c2c(c1)COCO2 ZINC000129454872 508728621 /nfs/dbraw/zinc/72/86/21/508728621.db2.gz JTYYWKLHNSNPSX-QGZVFWFLSA-N 1 0 350.415 2.882 20 5 FFBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000154175603 508731204 /nfs/dbraw/zinc/73/12/04/508731204.db2.gz BOFRSAPFOFNBMG-OLZOCXBDSA-N 1 0 370.247 2.960 20 5 FFBDRO Cn1ccnc1C[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000123817051 508742668 /nfs/dbraw/zinc/74/26/68/508742668.db2.gz NEEZZXFPMKKXPH-OAHLLOKOSA-N 1 0 371.441 2.612 20 5 FFBDRO C[C@H]1C[C@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)C[N@@H+]1Cc1ccccc1 ZINC000137455710 508756658 /nfs/dbraw/zinc/75/66/58/508756658.db2.gz WDRKRUHYXLLZEF-RDJZCZTQSA-N 1 0 369.421 2.753 20 5 FFBDRO CC[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000158898235 508765754 /nfs/dbraw/zinc/76/57/54/508765754.db2.gz MHCRGFJDPKNBRI-UHFFFAOYSA-N 1 0 356.220 2.571 20 5 FFBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000139256495 508786105 /nfs/dbraw/zinc/78/61/05/508786105.db2.gz SHIWSFBZOPVKRP-IJEWVQPXSA-N 1 0 367.471 2.621 20 5 FFBDRO CCC(CC)(C[NH3+])NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000154446680 508786904 /nfs/dbraw/zinc/78/69/04/508786904.db2.gz CMWXXEBORVMDRI-UHFFFAOYSA-N 1 0 358.236 2.534 20 5 FFBDRO Cn1cc(C[NH+]2CCC(C3OCCO3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000130045196 508790453 /nfs/dbraw/zinc/79/04/53/508790453.db2.gz RAHLOVICEOVZEO-UHFFFAOYSA-N 1 0 372.425 2.580 20 5 FFBDRO C[NH+]1CCC(N(Cc2ccco2)C(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000124189555 508794780 /nfs/dbraw/zinc/79/47/80/508794780.db2.gz PYCXEBNCSVAWJW-UHFFFAOYSA-N 1 0 373.409 2.690 20 5 FFBDRO CCC[NH2+]CCNC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000154515716 508800449 /nfs/dbraw/zinc/80/04/49/508800449.db2.gz LFZRQEUJNDXCHD-CQSZACIVSA-N 1 0 371.441 2.892 20 5 FFBDRO CC[NH+]1CCC(n2nccc2NC(=O)Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000119490069 508806826 /nfs/dbraw/zinc/80/68/26/508806826.db2.gz SZXYMSUVZDQFFB-UHFFFAOYSA-N 1 0 371.441 2.938 20 5 FFBDRO O=[N+]([O-])c1cccc(OCCN2CC[NH+](CCc3cccs3)CC2)c1 ZINC000141532597 508816131 /nfs/dbraw/zinc/81/61/31/508816131.db2.gz CJQVGVCKTVCXJC-UHFFFAOYSA-N 1 0 361.467 2.895 20 5 FFBDRO COCC[NH+]1CCC(NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 ZINC000141599650 508816923 /nfs/dbraw/zinc/81/69/23/508816923.db2.gz JWMQVOJVWNIKKS-UHFFFAOYSA-N 1 0 363.458 2.733 20 5 FFBDRO COC(=O)c1cc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c[nH]1 ZINC000130737540 508839205 /nfs/dbraw/zinc/83/92/05/508839205.db2.gz OHTOQQMJONNTBO-UHFFFAOYSA-N 1 0 359.382 2.753 20 5 FFBDRO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000159517407 508852021 /nfs/dbraw/zinc/85/20/21/508852021.db2.gz AGNSKMHBZJTQLV-WCQYABFASA-N 1 0 360.439 2.804 20 5 FFBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2CC(C)(C)OC2(C)C)c([N+](=O)[O-])c1 ZINC000119803518 508866198 /nfs/dbraw/zinc/86/61/98/508866198.db2.gz CDYLQKQDZNJBIZ-XHDPSFHLSA-N 1 0 365.430 2.866 20 5 FFBDRO CCN(C(=O)c1n[nH]cc1[N+](=O)[O-])[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000155200243 508946414 /nfs/dbraw/zinc/94/64/14/508946414.db2.gz KURRFUNJGPHZHA-DZGCQCFKSA-N 1 0 357.414 2.616 20 5 FFBDRO Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)cc1[N+](=O)[O-] ZINC000120223161 508953546 /nfs/dbraw/zinc/95/35/46/508953546.db2.gz HKTUSGXSJOUWRP-OAHLLOKOSA-N 1 0 369.487 2.550 20 5 FFBDRO O=C(CN1CC[C@H]2OCCC[C@@H]2C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000155449472 509003633 /nfs/dbraw/zinc/00/36/33/509003633.db2.gz SDOWGENASWGSCC-IAQYHMDHSA-N 1 0 353.806 2.688 20 5 FFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@@H+]1CCOC ZINC000132277651 509009930 /nfs/dbraw/zinc/00/99/30/509009930.db2.gz ZGTATODWVDRDGR-AWEZNQCLSA-N 1 0 367.471 2.547 20 5 FFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)NCC[NH+]1CCCCC1 ZINC000120520548 509012634 /nfs/dbraw/zinc/01/26/34/509012634.db2.gz PCQDZJFSFKYUSQ-UHFFFAOYSA-N 1 0 370.247 2.502 20 5 FFBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000120553424 509019722 /nfs/dbraw/zinc/01/97/22/509019722.db2.gz MJCWFUBNDAPVLF-GFCCVEGCSA-N 1 0 356.220 2.524 20 5 FFBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000125738724 509024061 /nfs/dbraw/zinc/02/40/61/509024061.db2.gz IITARBGUGPMJJC-CJNGLKHVSA-N 1 0 354.410 2.699 20 5 FFBDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000155557571 509025931 /nfs/dbraw/zinc/02/59/31/509025931.db2.gz BCTZGVRMYMIVCB-CQSZACIVSA-N 1 0 354.410 2.945 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)CCC1CCOCC1 ZINC000120595140 509028350 /nfs/dbraw/zinc/02/83/50/509028350.db2.gz IMSDQVYXKRCJDH-UHFFFAOYSA-N 1 0 365.430 2.681 20 5 FFBDRO COc1ccc(C(=O)CC[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000375642054 512433692 /nfs/dbraw/zinc/43/36/92/512433692.db2.gz QDCDERYPTYZMTJ-UHFFFAOYSA-N 1 0 358.398 2.710 20 5 FFBDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000155630278 509041287 /nfs/dbraw/zinc/04/12/87/509041287.db2.gz BJQJBGNGOACINV-OAHLLOKOSA-N 1 0 368.437 2.874 20 5 FFBDRO CCOC(=O)c1ccnc(NC[C@@H]2CCC[N@H+](CC(C)C)C2)c1[N+](=O)[O-] ZINC000161318178 509101658 /nfs/dbraw/zinc/10/16/58/509101658.db2.gz AIZLDPYECKTVNV-AWEZNQCLSA-N 1 0 364.446 2.946 20 5 FFBDRO CCn1cc([N+](=O)[O-])c(C(=O)NCc2cccc(C[N@H+](C)C(C)C)c2)n1 ZINC000191810109 509193773 /nfs/dbraw/zinc/19/37/73/509193773.db2.gz GNMFJWVZOSCWCG-UHFFFAOYSA-N 1 0 359.430 2.581 20 5 FFBDRO CN(CC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000248088085 509234286 /nfs/dbraw/zinc/23/42/86/509234286.db2.gz SZZHGDNOFSXMND-OXJNMPFZSA-N 1 0 368.437 2.593 20 5 FFBDRO C[NH+]1CCN(c2ccc(NC/C=C/c3ccccc3[N+](=O)[O-])cn2)CC1 ZINC000162880450 509314549 /nfs/dbraw/zinc/31/45/49/509314549.db2.gz CYGNINPPKGZCHP-GQCTYLIASA-N 1 0 353.426 2.867 20 5 FFBDRO C[C@@H](C[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1nccs1 ZINC000248466737 509334849 /nfs/dbraw/zinc/33/48/49/509334849.db2.gz SMGDPOUMUPCBHZ-GXTWGEPZSA-N 1 0 351.428 2.527 20 5 FFBDRO CC(C)c1ccc(C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000188958685 509342923 /nfs/dbraw/zinc/34/29/23/509342923.db2.gz QXJNMMRNGMUEPJ-GASCZTMLSA-N 1 0 363.458 2.947 20 5 FFBDRO C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000227697634 509412482 /nfs/dbraw/zinc/41/24/82/509412482.db2.gz QTQZVJLAKDUDBI-BBWFWOEESA-N 1 0 374.485 2.610 20 5 FFBDRO CCCc1n[nH]c(C(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1[N+](=O)[O-] ZINC000182853741 509460542 /nfs/dbraw/zinc/46/05/42/509460542.db2.gz QVWKZBNAOFQLKP-OLZOCXBDSA-N 1 0 363.462 2.653 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000192354063 509478473 /nfs/dbraw/zinc/47/84/73/509478473.db2.gz NQNZZLRUMOOXJV-OAHLLOKOSA-N 1 0 371.393 2.915 20 5 FFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000267479427 509505877 /nfs/dbraw/zinc/50/58/77/509505877.db2.gz XJRXZPOBYWGBJF-INIZCTEOSA-N 1 0 363.458 2.536 20 5 FFBDRO COc1cccc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000248837793 509507168 /nfs/dbraw/zinc/50/71/68/509507168.db2.gz DQQMDZWZZPSJDO-WMLDXEAASA-N 1 0 369.421 2.854 20 5 FFBDRO CCC[NH2+]CCNC(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000236842994 509517091 /nfs/dbraw/zinc/51/70/91/509517091.db2.gz AMJLQAWJAPHAQZ-GJZGRUSLSA-N 1 0 362.474 2.807 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCCC[C@H]2c2cc3ccccc3[nH]2)c1 ZINC000173353207 509548531 /nfs/dbraw/zinc/54/85/31/509548531.db2.gz LILSXLFDWVYFNM-LPHOPBHVSA-N 1 0 369.425 2.861 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)[C@@H](C)C1 ZINC000249030619 509575597 /nfs/dbraw/zinc/57/55/97/509575597.db2.gz LYCWYXDUBRLMPV-GJZGRUSLSA-N 1 0 369.487 2.562 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)NCC2([NH3+])CCCCC2)cc1SC ZINC000237121197 509575940 /nfs/dbraw/zinc/57/59/40/509575940.db2.gz OKRRFNLIHLQDCN-UHFFFAOYSA-N 1 0 353.444 2.717 20 5 FFBDRO C[NH2+]C1CCN(C(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)CC1 ZINC000237147822 509581793 /nfs/dbraw/zinc/58/17/93/509581793.db2.gz ZQPYVVXHECFQNC-GJZGRUSLSA-N 1 0 374.485 2.901 20 5 FFBDRO C[C@@H]1CCCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)[C@H]1C[NH3+] ZINC000165916112 509588572 /nfs/dbraw/zinc/58/85/72/509588572.db2.gz FTMIYZIVRKREDF-RNCFNFMXSA-N 1 0 356.220 2.557 20 5 FFBDRO CC[C@H]1CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000165981874 509590169 /nfs/dbraw/zinc/59/01/69/509590169.db2.gz BHLOEQODUSMBPU-ZANVPECISA-N 1 0 356.220 2.557 20 5 FFBDRO COc1ccc(COC[C@H](O)C[N@H+](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000192707320 509607153 /nfs/dbraw/zinc/60/71/53/509607153.db2.gz IDYYKXUCNNRWBZ-QGZVFWFLSA-N 1 0 360.410 2.613 20 5 FFBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCC(C)(C)[NH3+])cc1 ZINC000237312590 509619331 /nfs/dbraw/zinc/61/93/31/509619331.db2.gz PTVOSGDWKKSACX-UHFFFAOYSA-N 1 0 359.382 2.863 20 5 FFBDRO CC[NH+]1CCC(CCNS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)CC1 ZINC000173514074 509637446 /nfs/dbraw/zinc/63/74/46/509637446.db2.gz ZEKJJDFGTLLWAN-UHFFFAOYSA-N 1 0 369.487 2.612 20 5 FFBDRO CC[NH+]1CCC(CCNS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])CC1 ZINC000173513719 509637506 /nfs/dbraw/zinc/63/75/06/509637506.db2.gz RZYOFGNGSIHFJO-UHFFFAOYSA-N 1 0 369.487 2.612 20 5 FFBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCC[NH2+]CC3)cc2[N+](=O)[O-])C1 ZINC000237477030 509657999 /nfs/dbraw/zinc/65/79/99/509657999.db2.gz IRMDAXYZSILWNU-HUUCEWRRSA-N 1 0 360.458 2.513 20 5 FFBDRO C[C@H]1C[C@H]([NH3+])CCN1C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000237588813 509684467 /nfs/dbraw/zinc/68/44/67/509684467.db2.gz CANFVVRWLBRFFU-CMPLNLGQSA-N 1 0 374.363 2.754 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2noc(CN3CCC[C@H]3C[NH+]3CCCC3)n2)c1 ZINC000170695222 509727863 /nfs/dbraw/zinc/72/78/63/509727863.db2.gz DUVFSOJXHTYOOP-INIZCTEOSA-N 1 0 357.414 2.705 20 5 FFBDRO O=C(Cc1ccccc1[N+](=O)[O-])N(Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000186566095 509775729 /nfs/dbraw/zinc/77/57/29/509775729.db2.gz IAUVMYVFSVYDGV-SFHVURJKSA-N 1 0 368.437 2.703 20 5 FFBDRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237931172 509776641 /nfs/dbraw/zinc/77/66/41/509776641.db2.gz YIILSMIXWOJCBF-GXTWGEPZSA-N 1 0 360.439 2.966 20 5 FFBDRO COc1cc(NC2CC[NH+](C[C@H]3CCOC3)CC2)c([N+](=O)[O-])cc1F ZINC000268192842 509806317 /nfs/dbraw/zinc/80/63/17/509806317.db2.gz NCXWFPSWHUTSDH-GFCCVEGCSA-N 1 0 353.394 2.655 20 5 FFBDRO CN(CC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000180208151 509813626 /nfs/dbraw/zinc/81/36/26/509813626.db2.gz SZZHGDNOFSXMND-UZLBHIALSA-N 1 0 368.437 2.593 20 5 FFBDRO COc1cc(C[N@H+](C)C[C@H]2CCOC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000180241981 509829487 /nfs/dbraw/zinc/82/94/87/509829487.db2.gz RFOLQGDYBHZUEL-LLVKDONJSA-N 1 0 360.357 2.716 20 5 FFBDRO COc1cc(C[N@H+](C)C[C@H]2CCC[C@@H]2O)c([N+](=O)[O-])cc1OCC(F)F ZINC000180259915 509837284 /nfs/dbraw/zinc/83/72/84/509837284.db2.gz WSBZJWCEBIFDBD-RISCZKNCSA-N 1 0 374.384 2.840 20 5 FFBDRO CC(C)[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Cl)cc1F ZINC000180267181 509840455 /nfs/dbraw/zinc/84/04/55/509840455.db2.gz KTDNHMZEHXPZND-XJKSGUPXSA-N 1 0 370.812 2.932 20 5 FFBDRO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000183543994 509852432 /nfs/dbraw/zinc/85/24/32/509852432.db2.gz JDLQCUFVRLTIOF-UHFFFAOYSA-N 1 0 371.441 2.556 20 5 FFBDRO C[C@@H]1C[C@H](NC(=O)Nc2ccncc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000183585800 509873573 /nfs/dbraw/zinc/87/35/73/509873573.db2.gz GBURDIOQKXCHKJ-HIFRSBDPSA-N 1 0 355.398 2.774 20 5 FFBDRO O=C(C[NH2+]C1(c2ccc(F)cc2)CCOCC1)Nc1ccccc1[N+](=O)[O-] ZINC000170972158 509875457 /nfs/dbraw/zinc/87/54/57/509875457.db2.gz ZEZXRBGOHOKTQX-UHFFFAOYSA-N 1 0 373.384 2.968 20 5 FFBDRO CN(CC1CC[NH+](C)CC1)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000177106183 509875523 /nfs/dbraw/zinc/87/55/23/509875523.db2.gz TUERVZVDVOUDGL-UHFFFAOYSA-N 1 0 370.247 2.771 20 5 FFBDRO Cc1ccc([C@@H](CNC(=O)Nc2ccncc2[N+](=O)[O-])[NH+]2CCCC2)o1 ZINC000183591674 509875734 /nfs/dbraw/zinc/87/57/34/509875734.db2.gz BJTCEBVCDOXCGJ-OAHLLOKOSA-N 1 0 359.386 2.850 20 5 FFBDRO Cc1ccc(C)c(S(=O)(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000190018616 509887812 /nfs/dbraw/zinc/88/78/12/509887812.db2.gz IVPPTDOXWHWLJU-HNNXBMFYSA-N 1 0 369.487 2.707 20 5 FFBDRO Cn1cc(CNC2CC[NH+](CC3CC3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000171050230 509908737 /nfs/dbraw/zinc/90/87/37/509908737.db2.gz HZOLGIVJGNCPOA-UHFFFAOYSA-N 1 0 369.469 2.959 20 5 FFBDRO C[N@@H+]1CCCC[C@H]1CN1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255019852 509915732 /nfs/dbraw/zinc/91/57/32/509915732.db2.gz AMTNCQZPQKAXQW-QJSCKGPTSA-N 1 0 358.486 2.710 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C1 ZINC000245432936 509928627 /nfs/dbraw/zinc/92/86/27/509928627.db2.gz OYJZDIHMMSOEPM-LRDDRELGSA-N 1 0 368.865 2.849 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCCC[C@H]2c2cc3ccccc3[nH]2)c1 ZINC000245446674 509942122 /nfs/dbraw/zinc/94/21/22/509942122.db2.gz LILSXLFDWVYFNM-APWZRJJASA-N 1 0 369.425 2.861 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000174122799 509958279 /nfs/dbraw/zinc/95/82/79/509958279.db2.gz RSZJRYMSBPBTPS-ZDUSSCGKSA-N 1 0 350.419 2.942 20 5 FFBDRO CCN(CCC[NH+]1CCCC1)C(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000190135763 509960369 /nfs/dbraw/zinc/96/03/69/509960369.db2.gz HPUYYHIYYBQPSM-UHFFFAOYSA-N 1 0 364.446 2.621 20 5 FFBDRO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN([C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])CC2 ZINC000245500037 509968761 /nfs/dbraw/zinc/96/87/61/509968761.db2.gz ZHXQLMQCFRQMBM-XHSDSOJGSA-N 1 0 360.458 2.869 20 5 FFBDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)[C@H](C)N2CCOCC2)cc1[N+](=O)[O-] ZINC000245500494 509969222 /nfs/dbraw/zinc/96/92/22/509969222.db2.gz AJCRLFHNZQTMDZ-ILXRZTDVSA-N 1 0 351.447 2.753 20 5 FFBDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000177290281 509981509 /nfs/dbraw/zinc/98/15/09/509981509.db2.gz SCUYMGZERTZINW-LLVKDONJSA-N 1 0 370.247 2.771 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000174217691 510009201 /nfs/dbraw/zinc/00/92/01/510009201.db2.gz DELWZNFHIBAAJG-WBVHZDCISA-N 1 0 360.458 2.789 20 5 FFBDRO C[NH2+][C@@H](C)Cc1noc(CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 ZINC000261692315 510029083 /nfs/dbraw/zinc/02/90/83/510029083.db2.gz HOIWKUWCOKZENY-VIFPVBQESA-N 1 0 373.335 2.802 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(CC[NH3+])CCc1ccccc1 ZINC000261746644 510048016 /nfs/dbraw/zinc/04/80/16/510048016.db2.gz LIQLCSJKIBJMFD-UHFFFAOYSA-N 1 0 370.453 2.735 20 5 FFBDRO O=C(COc1ccc([N+](=O)[O-])cc1)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000193769702 510059611 /nfs/dbraw/zinc/05/96/11/510059611.db2.gz GTUIQSDLUBZDAR-QGZVFWFLSA-N 1 0 369.421 2.612 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000193814082 510083939 /nfs/dbraw/zinc/08/39/39/510083939.db2.gz SAVHHTCFTAPTER-INIZCTEOSA-N 1 0 369.421 2.855 20 5 FFBDRO Cn1cnc([N+](=O)[O-])c1N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000268847585 510097696 /nfs/dbraw/zinc/09/76/96/510097696.db2.gz PXYPUVCDOQVYOU-DLBZAZTESA-N 1 0 355.442 2.819 20 5 FFBDRO CCc1n[nH]c(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c1[N+](=O)[O-] ZINC000171368758 510110908 /nfs/dbraw/zinc/11/09/08/510110908.db2.gz QUAVBKKFUPKZQU-UHFFFAOYSA-N 1 0 371.441 2.796 20 5 FFBDRO C[C@H]1CCCN(c2ccc(C(=O)N3CC[C@@](C)(C[NH3+])C3)cc2[N+](=O)[O-])C1 ZINC000261957570 510129155 /nfs/dbraw/zinc/12/91/55/510129155.db2.gz KQFCXAGQEYYEHL-LIRRHRJNSA-N 1 0 360.458 2.642 20 5 FFBDRO Cn1ccnc1[C@@H]1C[NH2+]CCN1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000262003933 510145735 /nfs/dbraw/zinc/14/57/35/510145735.db2.gz LNVDDFJTKDWPQP-KRWDZBQOSA-N 1 0 367.409 2.735 20 5 FFBDRO C[NH+](C)CC1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)cc2)CC1 ZINC000265672622 510167096 /nfs/dbraw/zinc/16/70/96/510167096.db2.gz BTKUJCCTDSQMTJ-UHFFFAOYSA-N 1 0 371.441 2.953 20 5 FFBDRO Cc1ccsc1[C@@H](C)[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000180942905 510198727 /nfs/dbraw/zinc/19/87/27/510198727.db2.gz ZZDLOYGPISOJQB-GFCCVEGCSA-N 1 0 369.468 2.594 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+](Cc2ccco2)Cc2cccs2)c1 ZINC000174655409 510232469 /nfs/dbraw/zinc/23/24/69/510232469.db2.gz DIHPCTJLJGSODF-AWEZNQCLSA-N 1 0 362.411 2.509 20 5 FFBDRO C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(C(F)(F)F)c1 ZINC000174661890 510236525 /nfs/dbraw/zinc/23/65/25/510236525.db2.gz FBLCOCZNEHSMJW-IINYFYTJSA-N 1 0 358.320 2.522 20 5 FFBDRO C[NH2+][C@H]1CCN(C(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)C1 ZINC000269135893 510252993 /nfs/dbraw/zinc/25/29/93/510252993.db2.gz QKYQQQYYUFZGKD-ZFWWWQNUSA-N 1 0 369.425 2.597 20 5 FFBDRO C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(C(F)(F)F)cc1 ZINC000174724094 510271124 /nfs/dbraw/zinc/27/11/24/510271124.db2.gz NGXRBFMVAKTIAG-HZMBPMFUSA-N 1 0 358.320 2.522 20 5 FFBDRO CCCN(C(=O)c1cc(F)cc([N+](=O)[O-])c1Br)[C@@H]1CC[NH2+]C1 ZINC000269192077 510282551 /nfs/dbraw/zinc/28/25/51/510282551.db2.gz YHQGUGJMVLSXBG-SNVBAGLBSA-N 1 0 374.210 2.711 20 5 FFBDRO C[C@@H](Nc1ccc(C(=O)NC2CC[NH2+]CC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000262498817 510301316 /nfs/dbraw/zinc/30/13/16/510301316.db2.gz FSLCXRLRAMYJAL-CYBMUJFWSA-N 1 0 369.425 2.645 20 5 FFBDRO C[NH+]1CCC(CCNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000181264579 510328833 /nfs/dbraw/zinc/32/88/33/510328833.db2.gz STYFNPPIXFNHCC-UHFFFAOYSA-N 1 0 357.357 2.658 20 5 FFBDRO CC(C)c1n[nH]c(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)c1[N+](=O)[O-] ZINC000269316652 510337235 /nfs/dbraw/zinc/33/72/35/510337235.db2.gz HMEYADBZQZGFOQ-JTQLQIEISA-N 1 0 351.432 2.536 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000184482910 510348634 /nfs/dbraw/zinc/34/86/34/510348634.db2.gz OSOKDXXMJDZMHY-HNNXBMFYSA-N 1 0 364.446 2.690 20 5 FFBDRO CCc1[nH]nc(C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)c1[N+](=O)[O-] ZINC000171808636 510381191 /nfs/dbraw/zinc/38/11/91/510381191.db2.gz OTRKXQYWWYMJNF-UHFFFAOYSA-N 1 0 357.414 2.771 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000194474424 510383744 /nfs/dbraw/zinc/38/37/44/510383744.db2.gz GCKXMQLPKPLXBG-AWEZNQCLSA-N 1 0 364.446 2.523 20 5 FFBDRO CC(C)c1n[nH]c(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000269400131 510385325 /nfs/dbraw/zinc/38/53/25/510385325.db2.gz SUPMMFLWIBBLFR-UHFFFAOYSA-N 1 0 371.441 2.620 20 5 FFBDRO CC[C@@H](NC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1)c1cccc([N+](=O)[O-])c1 ZINC000262768382 510404727 /nfs/dbraw/zinc/40/47/27/510404727.db2.gz MDVDMROKLJWELU-HZPDHXFCSA-N 1 0 357.414 2.597 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000194567827 510427827 /nfs/dbraw/zinc/42/78/27/510427827.db2.gz PNJZRVBYWGQICI-UHFFFAOYSA-N 1 0 357.410 2.774 20 5 FFBDRO CC[N@H+](C)CCNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000194604516 510442836 /nfs/dbraw/zinc/44/28/36/510442836.db2.gz XMDINQNFFPWQEP-UHFFFAOYSA-N 1 0 357.410 2.855 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000178142253 510454245 /nfs/dbraw/zinc/45/42/45/510454245.db2.gz MHKGWQAODARLPG-CQSZACIVSA-N 1 0 361.442 2.874 20 5 FFBDRO CCOC1CC(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)(N2CCOCC2)C1 ZINC000194647362 510464237 /nfs/dbraw/zinc/46/42/37/510464237.db2.gz NGHFGDMBCVMYHW-MNNVXMFVSA-N 1 0 363.458 2.515 20 5 FFBDRO CC[C@@H]([NH2+]CC(=O)NC(=O)NC1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000181552830 510469076 /nfs/dbraw/zinc/46/90/76/510469076.db2.gz QSRYPBMKPWGROH-MRXNPFEDSA-N 1 0 362.430 2.794 20 5 FFBDRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000178181894 510474861 /nfs/dbraw/zinc/47/48/61/510474861.db2.gz OWAZNWGSWUZDPC-UHFFFAOYSA-N 1 0 360.389 2.520 20 5 FFBDRO C[NH+](C)CCN(Cc1ccccc1F)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000178178189 510474917 /nfs/dbraw/zinc/47/49/17/510474917.db2.gz RFRJBGQCXMDFTR-UHFFFAOYSA-N 1 0 360.389 2.520 20 5 FFBDRO Cn1c(Sc2c(F)cc([N+](=O)[O-])cc2F)nnc1C1CC[NH2+]CC1 ZINC000269600526 510477526 /nfs/dbraw/zinc/47/75/26/510477526.db2.gz AFVGKVBTADGAOP-UHFFFAOYSA-N 1 0 355.370 2.620 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@H](CO)c1ccccc1 ZINC000269641270 510494918 /nfs/dbraw/zinc/49/49/18/510494918.db2.gz XTIZVEQXLPVNGK-GOSISDBHSA-N 1 0 357.410 2.897 20 5 FFBDRO COc1cc(C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)ccc1[N+](=O)[O-] ZINC000181673174 510532424 /nfs/dbraw/zinc/53/24/24/510532424.db2.gz AAGRVIRNFKFMGS-DZGCQCFKSA-N 1 0 361.442 2.986 20 5 FFBDRO C[C@H](NC(=O)COc1cccc([N+](=O)[O-])c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181680569 510537653 /nfs/dbraw/zinc/53/76/53/510537653.db2.gz MPPLLRGRYPPENR-GJZGRUSLSA-N 1 0 361.442 2.743 20 5 FFBDRO CSc1cccc(C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000188030783 510558189 /nfs/dbraw/zinc/55/81/89/510558189.db2.gz KJAQPZHOCODEBQ-BETUJISGSA-N 1 0 367.471 2.546 20 5 FFBDRO COC(=O)c1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000181838191 510619433 /nfs/dbraw/zinc/61/94/33/510619433.db2.gz KJFGDCHHLKTRAK-ZDUSSCGKSA-N 1 0 371.393 2.979 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@H]2CCC2CCCCC2)c1 ZINC000246732955 510641620 /nfs/dbraw/zinc/64/16/20/510641620.db2.gz GHNBWRONIIIFGP-WMZOPIPTSA-N 1 0 350.463 2.977 20 5 FFBDRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)c1 ZINC000181936351 510668598 /nfs/dbraw/zinc/66/85/98/510668598.db2.gz WZFLWDDFTJZXCI-ZDUSSCGKSA-N 1 0 363.439 2.662 20 5 FFBDRO CN(Cc1csc([N+](=O)[O-])c1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188322969 510709477 /nfs/dbraw/zinc/70/94/77/510709477.db2.gz DFAKYJLRNJINMY-SFHVURJKSA-N 1 0 361.467 2.725 20 5 FFBDRO Cc1c(Br)cc(C(=O)NCCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000178677430 510716742 /nfs/dbraw/zinc/71/67/42/510716742.db2.gz ONTQSEAOBDTQFV-UHFFFAOYSA-N 1 0 370.247 2.881 20 5 FFBDRO NC(=O)C[C@@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CCCCC1 ZINC000182043580 510727627 /nfs/dbraw/zinc/72/76/27/510727627.db2.gz HCZHZKCQFROHNT-OAHLLOKOSA-N 1 0 373.413 2.559 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000178730436 510742486 /nfs/dbraw/zinc/74/24/86/510742486.db2.gz HIGNNOBBQDMSSD-KXBFYZLASA-N 1 0 370.453 2.999 20 5 FFBDRO Cc1cc(NC[C@H](O)C[NH+]2CCCCC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000195303214 510773720 /nfs/dbraw/zinc/77/37/20/510773720.db2.gz IMKVAOZBPXSFCD-KRWDZBQOSA-N 1 0 371.441 2.619 20 5 FFBDRO COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000270366332 510779152 /nfs/dbraw/zinc/77/91/52/510779152.db2.gz AOXGEDLMVXBRAQ-KBXCAEBGSA-N 1 0 374.397 2.856 20 5 FFBDRO CC[N@@H+]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000172541803 510781777 /nfs/dbraw/zinc/78/17/77/510781777.db2.gz YZQUDROFSWJNQW-JTQLQIEISA-N 1 0 356.220 2.571 20 5 FFBDRO O=C1[C@H](N2CCC(c3ccncc3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000191679512 510783629 /nfs/dbraw/zinc/78/36/29/510783629.db2.gz VXFMGICLCPHWAP-LJQANCHMSA-N 1 0 366.421 2.975 20 5 FFBDRO O=[N+]([O-])c1ccc(CN2CCC[C@H](C[NH+]3CCOCC3)C2)c(Cl)c1 ZINC000182166300 510790872 /nfs/dbraw/zinc/79/08/72/510790872.db2.gz DVPPQRMRQRQZJN-CQSZACIVSA-N 1 0 353.850 2.792 20 5 FFBDRO C[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1ccc(S(C)(=O)=O)cc1 ZINC000182194912 510809543 /nfs/dbraw/zinc/80/95/43/510809543.db2.gz OGHYQNNKBBSENK-ZDUSSCGKSA-N 1 0 364.423 2.728 20 5 FFBDRO C[C@H]([NH3+])C1CCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000178869403 510813448 /nfs/dbraw/zinc/81/34/48/510813448.db2.gz XAGCEGFKLQEMHW-NSHDSACASA-N 1 0 360.439 2.918 20 5 FFBDRO C[C@H](CCNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)[NH+]1CCCCC1 ZINC000182227885 510822951 /nfs/dbraw/zinc/82/29/51/510822951.db2.gz LOEQCIOSMDSXLZ-OAHLLOKOSA-N 1 0 371.441 2.775 20 5 FFBDRO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000247070994 510825495 /nfs/dbraw/zinc/82/54/95/510825495.db2.gz IWOGOPDOCXJNGW-GDBMZVCRSA-N 1 0 360.458 2.654 20 5 FFBDRO CC(C)(C)c1ccc2c(c1)C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CC2 ZINC000182251033 510833782 /nfs/dbraw/zinc/83/37/82/510833782.db2.gz XXUVGIZGMQRLKS-GOSISDBHSA-N 1 0 358.442 2.508 20 5 FFBDRO Cc1c(NC(=O)CC[N@H+]2CCC[C@H](c3ccnn3C)C2)cccc1[N+](=O)[O-] ZINC000360305679 510894317 /nfs/dbraw/zinc/89/43/17/510894317.db2.gz LSDPPFIOFGGIGM-HNNXBMFYSA-N 1 0 371.441 2.845 20 5 FFBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000360341610 510900233 /nfs/dbraw/zinc/90/02/33/510900233.db2.gz GOUYEPYYYAUQFJ-VXGBXAGGSA-N 1 0 368.231 2.714 20 5 FFBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CCC[C@@H]([NH3+])[C@H]2C)CC1 ZINC000297328643 510904869 /nfs/dbraw/zinc/90/48/69/510904869.db2.gz HJCPFYIWHCJQRZ-RHSMWYFYSA-N 1 0 360.458 2.783 20 5 FFBDRO Cc1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)cc1[N+](=O)[O-] ZINC000285609661 510977294 /nfs/dbraw/zinc/97/72/94/510977294.db2.gz JCXHKPJEAFWULZ-MIGBEJBISA-N 1 0 374.485 2.637 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000270878569 511013184 /nfs/dbraw/zinc/01/31/84/511013184.db2.gz VHMUHJLMIDFJNR-AWEZNQCLSA-N 1 0 354.410 2.843 20 5 FFBDRO CC[NH+](CC)CCCNC(=O)c1cc([N+](=O)[O-])ccc1SCCOC ZINC000270962342 511038199 /nfs/dbraw/zinc/03/81/99/511038199.db2.gz ZWDCKARFWRTOHE-UHFFFAOYSA-N 1 0 369.487 2.795 20 5 FFBDRO C[C@H]1C[C@@H](NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000279381558 511062943 /nfs/dbraw/zinc/06/29/43/511062943.db2.gz VAFJGJCBGCYDKB-GXSJLCMTSA-N 1 0 355.797 2.671 20 5 FFBDRO O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)NCCCCNc1ccccn1 ZINC000294520536 511091656 /nfs/dbraw/zinc/09/16/56/511091656.db2.gz ICZMAMWZKKKGEC-UHFFFAOYSA-N 1 0 370.409 2.961 20 5 FFBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1ccnn1CC[NH+](C)C ZINC000297920492 511110007 /nfs/dbraw/zinc/11/00/07/511110007.db2.gz YFGCAMAHZCOXFN-UHFFFAOYSA-N 1 0 351.794 2.567 20 5 FFBDRO C[C@H](NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])C1=CC[N@H+](C)CC1 ZINC000279627740 511151358 /nfs/dbraw/zinc/15/13/58/511151358.db2.gz IGNVYBXIAGSCSL-JTQLQIEISA-N 1 0 355.797 2.696 20 5 FFBDRO COc1ccc(NC(=O)CC[N@H+](C)[C@@H](CO)c2ccccc2)c([N+](=O)[O-])c1 ZINC000298067062 511165174 /nfs/dbraw/zinc/16/51/74/511165174.db2.gz JFXPPOAQIITTSX-SFHVURJKSA-N 1 0 373.409 2.597 20 5 FFBDRO COCCn1cc(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])cn1 ZINC000282941893 511170532 /nfs/dbraw/zinc/17/05/32/511170532.db2.gz YXEXMIUXQBVEGI-FUHWJXTLSA-N 1 0 358.442 2.939 20 5 FFBDRO CC(C)[NH+]1CCC(N(C)C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC1 ZINC000298203640 511207624 /nfs/dbraw/zinc/20/76/24/511207624.db2.gz ZWPKIPVPIQIEFC-UHFFFAOYSA-N 1 0 371.441 2.725 20 5 FFBDRO COc1cccc([C@@H](C)[NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)c1 ZINC000271711301 511297347 /nfs/dbraw/zinc/29/73/47/511297347.db2.gz VFFSKUNQPCUMDZ-CYBMUJFWSA-N 1 0 355.394 2.843 20 5 FFBDRO CC(=O)c1ccc(OC[C@@H](O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000271719639 511299800 /nfs/dbraw/zinc/29/98/00/511299800.db2.gz XNLLLXVCXFTWAL-ACJLOTCBSA-N 1 0 358.394 2.888 20 5 FFBDRO C[C@H](CCC[NH3+])NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000295267600 511343426 /nfs/dbraw/zinc/34/34/26/511343426.db2.gz RRWICHOKUVUDCS-SNVBAGLBSA-N 1 0 362.352 2.659 20 5 FFBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000295278610 511346196 /nfs/dbraw/zinc/34/61/96/511346196.db2.gz IIMVVQJILXNPBF-BBRMVZONSA-N 1 0 369.425 2.684 20 5 FFBDRO C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2C(N)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000363175185 511396870 /nfs/dbraw/zinc/39/68/70/511396870.db2.gz PAXYNDMRKQQFJV-UKRRQHHQSA-N 1 0 354.410 2.623 20 5 FFBDRO Cc1nc(NCc2cccc(CN3CCO[C@@H](C)C3)c2)ncc1[N+](=O)[O-] ZINC000295446859 511408268 /nfs/dbraw/zinc/40/82/68/511408268.db2.gz GXJUNHODPDPQDP-ZDUSSCGKSA-N 1 0 357.414 2.526 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2nc3c(s2)CN(C)CC3)c1 ZINC000283597738 511429089 /nfs/dbraw/zinc/42/90/89/511429089.db2.gz XYNXHNCSTGBAKB-UHFFFAOYSA-N 1 0 362.411 2.690 20 5 FFBDRO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@](C)(OC)CC2)c([N+](=O)[O-])c1 ZINC000280355272 511434741 /nfs/dbraw/zinc/43/47/41/511434741.db2.gz JJSVBVYEDBWTGN-SFHVURJKSA-N 1 0 365.430 2.823 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](OC)C(C)(C)C1 ZINC000295867771 511540933 /nfs/dbraw/zinc/54/09/33/511540933.db2.gz FKTOPTVBOIVTAT-INIZCTEOSA-N 1 0 365.430 2.679 20 5 FFBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000283957900 511556569 /nfs/dbraw/zinc/55/65/69/511556569.db2.gz LKODCGLINFTHLH-LLVKDONJSA-N 1 0 370.247 2.832 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])cn1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000365738131 511629560 /nfs/dbraw/zinc/62/95/60/511629560.db2.gz GSIQZPFMMMFERD-IRXDYDNUSA-N 1 0 366.421 2.584 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2nnc(C[NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCC4)o2)cc1 ZINC000296195494 511651849 /nfs/dbraw/zinc/65/18/49/511651849.db2.gz LVWGDADQTZDKJO-FVQBIDKESA-N 1 0 356.382 2.692 20 5 FFBDRO CC(C)(NC(=O)N[C@@H]1CCN(c2ccccn2)C1)c1ccccc1[N+](=O)[O-] ZINC000292597459 511655901 /nfs/dbraw/zinc/65/59/01/511655901.db2.gz MUXGPOZYDBXWHV-CQSZACIVSA-N 1 0 369.425 2.803 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@@](CO)(Cc3ccccc3)C2)c1 ZINC000365841944 511681948 /nfs/dbraw/zinc/68/19/48/511681948.db2.gz PAZKGTREQWRUQX-NHCUHLMSSA-N 1 0 370.449 2.945 20 5 FFBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000363690115 511705272 /nfs/dbraw/zinc/70/52/72/511705272.db2.gz HQZONJKXAXGAHB-XJKSGUPXSA-N 1 0 357.414 2.876 20 5 FFBDRO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@H+](Cc4cccnc4)CC3)nc2c1 ZINC000274117236 511723444 /nfs/dbraw/zinc/72/34/44/511723444.db2.gz USIUPFFFMFQIJB-UHFFFAOYSA-N 1 0 352.398 2.578 20 5 FFBDRO COc1ccc(OCC[N@@H+]2CCC3(CCOCC3)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000363792670 511771420 /nfs/dbraw/zinc/77/14/20/511771420.db2.gz GBQFNQCPIRNLIB-AWEZNQCLSA-N 1 0 350.415 2.873 20 5 FFBDRO CN(C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000281257895 511778223 /nfs/dbraw/zinc/77/82/23/511778223.db2.gz VDBHLMVBQGDGTL-UHFFFAOYSA-N 1 0 354.410 2.823 20 5 FFBDRO CNc1c(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000312486251 511784834 /nfs/dbraw/zinc/78/48/34/511784834.db2.gz JJYZMJKFCKGZDB-MRXNPFEDSA-N 1 0 368.437 2.983 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000281291039 511791613 /nfs/dbraw/zinc/79/16/13/511791613.db2.gz CMBZFASWPJNNEK-ZDUSSCGKSA-N 1 0 350.419 2.942 20 5 FFBDRO COc1ccc(NC(=O)CC[N@@H+]2CCCO[C@@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000293042150 511817838 /nfs/dbraw/zinc/81/78/38/511817838.db2.gz HCXVEFMWNQGFMO-QGZVFWFLSA-N 1 0 365.430 2.679 20 5 FFBDRO Cc1c(NC(=O)CCN2CC[N@@H+](C3CC3)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000296696808 511858834 /nfs/dbraw/zinc/85/88/34/511858834.db2.gz KNPFAUCKJDUSMX-CQSZACIVSA-N 1 0 360.458 2.648 20 5 FFBDRO C[C@@H]1CN(C(=O)NCCc2ccccc2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000293159652 511863002 /nfs/dbraw/zinc/86/30/02/511863002.db2.gz CHKIPYUIBVXCPY-HNNXBMFYSA-N 1 0 360.458 2.653 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCCO[C@H](C(C)C)C1 ZINC000293184523 511873497 /nfs/dbraw/zinc/87/34/97/511873497.db2.gz PVSMCQGOIMXBLZ-GUYCJALGSA-N 1 0 365.430 2.677 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000281555424 511889502 /nfs/dbraw/zinc/88/95/02/511889502.db2.gz LGOWHFJGPSWXRS-INIZCTEOSA-N 1 0 361.442 2.616 20 5 FFBDRO CCOC(=O)C[C@@](C)([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)C(C)C ZINC000274742760 511926462 /nfs/dbraw/zinc/92/64/62/511926462.db2.gz KLSANAZMPGFYEF-GOSISDBHSA-N 1 0 366.414 2.919 20 5 FFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCN(C)[C@H](c2nc(C3CC3)no2)C1 ZINC000284997481 511962084 /nfs/dbraw/zinc/96/20/84/511962084.db2.gz TWNZYTTWMHTWRQ-LRDDRELGSA-N 1 0 357.414 2.905 20 5 FFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCC(CO)(c3ccccc3)CC2)c1 ZINC000293479920 511979861 /nfs/dbraw/zinc/97/98/61/511979861.db2.gz YBVFFEYWQHLFFG-IBGZPJMESA-N 1 0 356.422 2.654 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000281880850 511999225 /nfs/dbraw/zinc/99/92/25/511999225.db2.gz GFDHKYZXBQTVLU-QWHCGFSZSA-N 1 0 350.419 2.940 20 5 FFBDRO C[C@H]([NH2+]C1CCN(Cc2ccccn2)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293579539 512016317 /nfs/dbraw/zinc/01/63/17/512016317.db2.gz DVANZPUDSBYOOG-AWEZNQCLSA-N 1 0 355.442 2.887 20 5 FFBDRO CCC(=O)c1ccc(N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c([N+](=O)[O-])c1 ZINC000366430238 512018838 /nfs/dbraw/zinc/01/88/38/512018838.db2.gz ICOUJTODVSCRBA-OAHLLOKOSA-N 1 0 360.458 2.768 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000366431814 512020208 /nfs/dbraw/zinc/02/02/08/512020208.db2.gz SUFYFSIHUIQTDW-DAXOMENPSA-N 1 0 367.833 2.572 20 5 FFBDRO COc1ccc([C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)C[C@@H]2[NH3+])cc1F ZINC000297114000 512025224 /nfs/dbraw/zinc/02/52/24/512025224.db2.gz GAWINYXWQVKENX-WBVHZDCISA-N 1 0 373.384 2.700 20 5 FFBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NC1CC[NH+](C2CCC2)CC1 ZINC000297176620 512048854 /nfs/dbraw/zinc/04/88/54/512048854.db2.gz NRJXPJIGTNGYBN-UHFFFAOYSA-N 1 0 356.426 2.683 20 5 FFBDRO C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C1=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285281482 512062813 /nfs/dbraw/zinc/06/28/13/512062813.db2.gz RGZUUYUOGNSINE-SUMWQHHRSA-N 1 0 354.410 2.629 20 5 FFBDRO CC(C)c1ccc(C[NH2+]C[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)cc1[N+](=O)[O-] ZINC000360018721 512064075 /nfs/dbraw/zinc/06/40/75/512064075.db2.gz HLMIXKYOMBEZFR-LIRRHRJNSA-N 1 0 374.441 2.528 20 5 FFBDRO [NH3+][C@@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC[C@@H]1c1ccc(F)cc1 ZINC000297223480 512066841 /nfs/dbraw/zinc/06/68/41/512066841.db2.gz OFGNETCAQFEEQA-QZTJIDSGSA-N 1 0 357.385 2.620 20 5 FFBDRO COc1cc(C[NH2+][C@H]2CCC[C@@H]2CCO)c([N+](=O)[O-])cc1OCC(F)F ZINC000275229749 512081017 /nfs/dbraw/zinc/08/10/17/512081017.db2.gz JAXZMTSBTCEMCK-YPMHNXCESA-N 1 0 374.384 2.888 20 5 FFBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CCCC23CC[NH+](C)CC3)cc1[N+](=O)[O-] ZINC000367359202 512461938 /nfs/dbraw/zinc/46/19/38/512461938.db2.gz UMYNMKOLCJGSNN-UHFFFAOYSA-N 1 0 362.386 2.512 20 5 FFBDRO O=C(CC[NH2+]C1(C2CC2)CCOCC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000375707905 512465965 /nfs/dbraw/zinc/46/59/65/512465965.db2.gz ZLZPMPQSWCSKSV-UHFFFAOYSA-N 1 0 351.378 2.611 20 5 FFBDRO Cn1cc(C[N@@H+]2CC[C@@H](c3nccn3C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000377890444 512500484 /nfs/dbraw/zinc/50/04/84/512500484.db2.gz VHFLFAAHJNITDD-OAHLLOKOSA-N 1 0 366.425 2.718 20 5 FFBDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000369731860 512578574 /nfs/dbraw/zinc/57/85/74/512578574.db2.gz LOVJSWQFDTZADA-LBPRGKRZSA-N 1 0 367.833 2.574 20 5 FFBDRO CN(C(=O)c1csc([N+](=O)[O-])c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000374002900 512615402 /nfs/dbraw/zinc/61/54/02/512615402.db2.gz XHTXJIKGGZGTSG-UHFFFAOYSA-N 1 0 374.466 2.830 20 5 FFBDRO Cn1nccc1N1CCC[C@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000376028130 512624083 /nfs/dbraw/zinc/62/40/83/512624083.db2.gz IKAQXWXZWJBEGB-ROUUACIJSA-N 1 0 369.469 2.908 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(CC(=O)NC[C@@H](C)C[NH+]2CCCCC2)c1F ZINC000411537465 512679106 /nfs/dbraw/zinc/67/91/06/512679106.db2.gz VFNLMXZSKOCHGZ-CYBMUJFWSA-N 1 0 367.421 2.523 20 5 FFBDRO COC[C@H]1CCCC[N@@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000376370615 512788849 /nfs/dbraw/zinc/78/88/49/512788849.db2.gz RJSLPWOVFINBLA-KGLIPLIRSA-N 1 0 365.430 2.679 20 5 FFBDRO CCOc1ccc(NC(=O)C[NH2+][C@H](C)[C@](C)(OC)C2CC2)c([N+](=O)[O-])c1 ZINC000411973081 512896596 /nfs/dbraw/zinc/89/65/96/512896596.db2.gz RBDDDPYTEZGPGE-XIKOKIGWSA-N 1 0 365.430 2.725 20 5 FFBDRO CNc1c(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000389892134 512903220 /nfs/dbraw/zinc/90/32/20/512903220.db2.gz WOLVNSRVWOVZMD-RHSMWYFYSA-N 1 0 368.437 2.887 20 5 FFBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)CCOc3ccc(Cl)cc3[N+](=O)[O-])C[C@H]21 ZINC000374592376 512906933 /nfs/dbraw/zinc/90/69/33/512906933.db2.gz GNTIHFPSGDAZOW-IACUBPJLSA-N 1 0 367.833 2.603 20 5 FFBDRO C[C@H]1C[C@@H](Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[N@@H+]1Cc1ccccc1 ZINC000397984486 512951733 /nfs/dbraw/zinc/95/17/33/512951733.db2.gz NSYJWHNOGIFWFJ-DZGCQCFKSA-N 1 0 351.410 2.968 20 5 FFBDRO Cc1cn2c(n1)CN(C(=O)c1csc(-c3ccc([N+](=O)[O-])cc3)n1)CC2 ZINC000374692947 512958927 /nfs/dbraw/zinc/95/89/27/512958927.db2.gz JENKEPJCJFWSBQ-UHFFFAOYSA-N 1 0 369.406 2.879 20 5 FFBDRO O=[N+]([O-])c1cc(F)cnc1NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000400235510 512962615 /nfs/dbraw/zinc/96/26/15/512962615.db2.gz ALONLJRNKQWXLX-UHFFFAOYSA-N 1 0 360.389 2.568 20 5 FFBDRO O=C(CC[N@@H+]1CC[C@@H](Cc2ccncc2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000368487031 512970346 /nfs/dbraw/zinc/97/03/46/512970346.db2.gz RCFLFPRQKZPUNB-INIZCTEOSA-N 1 0 354.410 2.883 20 5 FFBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000408012167 512983663 /nfs/dbraw/zinc/98/36/63/512983663.db2.gz BEYJMFWZEWDSFD-YRGRVCCFSA-N 1 0 364.421 2.794 20 5 FFBDRO Cc1cc(-c2noc([C@H](C)NCCn3cc([N+](=O)[O-])cn3)n2)ccc1F ZINC000370708090 513064295 /nfs/dbraw/zinc/06/42/95/513064295.db2.gz IIKGYONQPRLRPF-NSHDSACASA-N 1 0 360.349 2.640 20 5 FFBDRO CC(C)c1n[nH]c(C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000433828104 513161056 /nfs/dbraw/zinc/16/10/56/513161056.db2.gz HMYGITCQCIOKOP-CYBMUJFWSA-N 1 0 351.451 2.683 20 5 FFBDRO COc1c[nH+]ccc1N1CCN(c2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000450504508 513225063 /nfs/dbraw/zinc/22/50/63/513225063.db2.gz VCALWDXKZIZCJE-UHFFFAOYSA-N 1 0 365.393 2.873 20 5 FFBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000434418872 513318750 /nfs/dbraw/zinc/31/87/50/513318750.db2.gz GGWGZBXFBIBAOZ-SFHVURJKSA-N 1 0 360.458 2.920 20 5 FFBDRO C[NH2+]CCC1CCN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000417991133 513320934 /nfs/dbraw/zinc/32/09/34/513320934.db2.gz MUPZCKUAQNJKEU-UHFFFAOYSA-N 1 0 368.865 2.822 20 5 FFBDRO CCC1(CC)[C@@H]([NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@@H]1OC ZINC000429284607 513325933 /nfs/dbraw/zinc/32/59/33/513325933.db2.gz KXXPJUMMLFOTLL-IRXDYDNUSA-N 1 0 361.442 2.667 20 5 FFBDRO Cc1c(NC(=O)N(C)C2CC[NH2+]CC2)cc(Br)cc1[N+](=O)[O-] ZINC000415654882 513363635 /nfs/dbraw/zinc/36/36/35/513363635.db2.gz JTXLRKDUVFHGFG-UHFFFAOYSA-N 1 0 371.235 2.881 20 5 FFBDRO Cc1c(CNC(=O)N(CC[NH3+])CCc2ccccc2)cccc1[N+](=O)[O-] ZINC000418080750 513365677 /nfs/dbraw/zinc/36/56/77/513365677.db2.gz MXHNFIBUJMELCB-UHFFFAOYSA-N 1 0 356.426 2.616 20 5 FFBDRO CCCN(C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H]1CC[NH2+]C1 ZINC000418086163 513368022 /nfs/dbraw/zinc/36/80/22/513368022.db2.gz CAMMTRCPEYJNQW-ZDUSSCGKSA-N 1 0 374.363 2.897 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000415665373 513368983 /nfs/dbraw/zinc/36/89/83/513368983.db2.gz VDPXNAVQKFVHMP-KGLIPLIRSA-N 1 0 362.430 2.847 20 5 FFBDRO NC(=O)c1cc([N+](=O)[O-])cnc1NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000440681159 513382087 /nfs/dbraw/zinc/38/20/87/513382087.db2.gz ZRPHDVDKELUVSF-UHFFFAOYSA-N 1 0 361.446 2.547 20 5 FFBDRO C[C@]1(CNC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CCC[NH2+]C1 ZINC000415691734 513383004 /nfs/dbraw/zinc/38/30/04/513383004.db2.gz GDNWJQUVRPIGKB-AWEZNQCLSA-N 1 0 371.235 2.869 20 5 FFBDRO C[NH2+]C[C@@H]1CCN(C(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC000429466245 513383270 /nfs/dbraw/zinc/38/32/70/513383270.db2.gz IDSRWGSQDWRCLW-GJZGRUSLSA-N 1 0 360.458 2.513 20 5 FFBDRO [NH3+][C@H]1CCC[C@@H](CNC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000415704102 513389941 /nfs/dbraw/zinc/38/99/41/513389941.db2.gz RMQYTWZWVNXYHP-KOLCDFICSA-N 1 0 371.235 2.996 20 5 FFBDRO CCC(CC)(C[NH3+])NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415710038 513392108 /nfs/dbraw/zinc/39/21/08/513392108.db2.gz YVVJXIHNIBBWJM-UHFFFAOYSA-N 1 0 359.224 2.996 20 5 FFBDRO COc1ccc([C@@H](CNc2ncc([N+](=O)[O-])cc2F)[NH+](C)C)cc1OC ZINC000413030769 513396342 /nfs/dbraw/zinc/39/63/42/513396342.db2.gz VRKGDUDLTRUULU-CQSZACIVSA-N 1 0 364.377 2.861 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N[C@@H]3CCC[NH2+][C@H]3C)cc2[N+](=O)[O-])C1 ZINC000434699971 513399715 /nfs/dbraw/zinc/39/97/15/513399715.db2.gz PSIGCEZRZWEUKY-IJEWVQPXSA-N 1 0 360.458 2.701 20 5 FFBDRO C[C@H]1C[N@@H+](C2CCN(c3ncc([N+](=O)[O-])cc3C(F)(F)F)CC2)CCO1 ZINC000413073872 513426885 /nfs/dbraw/zinc/42/68/85/513426885.db2.gz IUAIADYQSGHWRD-NSHDSACASA-N 1 0 374.363 2.698 20 5 FFBDRO COc1cc[nH+]c(N2CCN(c3ccc([N+](=O)[O-])c4ncccc34)CC2)c1 ZINC000413122506 513462426 /nfs/dbraw/zinc/46/24/26/513462426.db2.gz JYERSVQQRRHMJR-UHFFFAOYSA-N 1 0 365.393 2.873 20 5 FFBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000415902025 513468809 /nfs/dbraw/zinc/46/88/09/513468809.db2.gz VTQZLGZDRGDBKQ-UHFFFAOYSA-N 1 0 354.410 2.947 20 5 FFBDRO C[N@@H+]1CCCC[C@H]1CN1CCN(c2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413137862 513473075 /nfs/dbraw/zinc/47/30/75/513473075.db2.gz OZELZLRJPQLJMU-SFHVURJKSA-N 1 0 369.469 2.749 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC[C@H](C[NH+]3CCOCC3)C2)c2cccnc21 ZINC000413139513 513474590 /nfs/dbraw/zinc/47/45/90/513474590.db2.gz NPAXIULPKAHRBO-OAHLLOKOSA-N 1 0 356.426 2.692 20 5 FFBDRO O=C(NCC[C@H]1CCC[NH2+]C1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000418346990 513475774 /nfs/dbraw/zinc/47/57/74/513475774.db2.gz NDNOLIXNNRUDGJ-WBVHZDCISA-N 1 0 360.458 2.874 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)cnc1NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000434960589 513476481 /nfs/dbraw/zinc/47/64/81/513476481.db2.gz VEZANKJCEDEKLJ-KRWDZBQOSA-N 1 0 362.817 2.692 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N[C@H]3CC[NH2+][C@H](C)C3)cc2[N+](=O)[O-])C1 ZINC000447510816 513492664 /nfs/dbraw/zinc/49/26/64/513492664.db2.gz JMTBDWXCPVPQHS-FMKPAKJESA-N 1 0 360.458 2.701 20 5 FFBDRO CC(C)(C)OC(=O)CCC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447531044 513499323 /nfs/dbraw/zinc/49/93/23/513499323.db2.gz PSEWDKZNYULCBL-UONOGXRCSA-N 1 0 352.435 2.987 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCCOCC2CCOCC2)n1 ZINC000447538860 513502126 /nfs/dbraw/zinc/50/21/26/513502126.db2.gz DQFQKUPQDPPKAV-DLBZAZTESA-N 1 0 366.462 2.698 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[N@@H+](C2CC2)C[C@@H](C)C1 ZINC000451087480 513510164 /nfs/dbraw/zinc/51/01/64/513510164.db2.gz OBQFDZFSBYAIKJ-AWEZNQCLSA-N 1 0 360.458 2.648 20 5 FFBDRO C[C@H](c1cccc(C(F)(F)F)c1)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000441276560 513525699 /nfs/dbraw/zinc/52/56/99/513525699.db2.gz KLSHLTGQLWKRBZ-IAQYHMDHSA-N 1 0 372.347 2.864 20 5 FFBDRO COc1cc(CN2CCC[C@H]3C[N@H+](C)C[C@H]32)c([N+](=O)[O-])cc1OC(F)F ZINC000425357898 513528629 /nfs/dbraw/zinc/52/86/29/513528629.db2.gz PPTFEIHVZCOZPE-SMDDNHRTSA-N 1 0 371.384 2.731 20 5 FFBDRO C[C@H]([NH2+]CC(=O)NCCO[C@H]1CCCC[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000451108132 513528927 /nfs/dbraw/zinc/52/89/27/513528927.db2.gz VFXCIYOWZPSZMO-MPGHIAIKSA-N 1 0 363.458 2.957 20 5 FFBDRO CCC[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](C)c1ccccc1OC ZINC000441289771 513532052 /nfs/dbraw/zinc/53/20/52/513532052.db2.gz VHFJHCXESKTZDD-GOEBONIOSA-N 1 0 362.430 2.634 20 5 FFBDRO O=[N+]([O-])c1ccc2[nH]c(=NCCC[N@@H+]3CCc4ccccc4C3)[nH]c2c1 ZINC000447676860 513540336 /nfs/dbraw/zinc/54/03/36/513540336.db2.gz DGXLSZQFWHEDDV-UHFFFAOYSA-N 1 0 351.410 2.753 20 5 FFBDRO COc1ccc(CN(C)[C@@H](C)C[NH3+])cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000435372656 513567424 /nfs/dbraw/zinc/56/74/24/513567424.db2.gz BADLPBHLOUIEKY-AWEZNQCLSA-N 1 0 359.426 2.961 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+](C[C@@H]2CCCO2)C2CCCC2)c1 ZINC000441438327 513567739 /nfs/dbraw/zinc/56/77/39/513567739.db2.gz JMKKKFVKAHQLBA-HKUYNNGSSA-N 1 0 364.442 2.758 20 5 FFBDRO O=C1CC[C@@H]([NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])[C@H](C2CC2)N1 ZINC000425447802 513571898 /nfs/dbraw/zinc/57/18/98/513571898.db2.gz SXDUTAZZOXLMLC-DOMZBBRYSA-N 1 0 368.231 2.504 20 5 FFBDRO C[NH+](C)[C@@H]1CCC[C@H](Nc2cc(CN3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000447817234 513581905 /nfs/dbraw/zinc/58/19/05/513581905.db2.gz NNCPNWMIHCKYEQ-DLBZAZTESA-N 1 0 362.474 2.712 20 5 FFBDRO COc1cccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000435658131 513649492 /nfs/dbraw/zinc/64/94/92/513649492.db2.gz YKXQVHNZEZHWAA-OAHLLOKOSA-N 1 0 355.394 2.608 20 5 FFBDRO Cn1ccnc1CN(CCc1ccc([N+](=O)[O-])cc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435696537 513661262 /nfs/dbraw/zinc/66/12/62/513661262.db2.gz QFWNTTSQBHTVAH-SFHVURJKSA-N 1 0 369.469 2.515 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCC[C@@H]3[C@@H]3CCC[C@@H]3O)n2)c1 ZINC000451420466 513740079 /nfs/dbraw/zinc/74/00/79/513740079.db2.gz PAHHYBSWNYBGRH-XHSDSOJGSA-N 1 0 358.398 2.770 20 5 FFBDRO Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)cccc1[N+](=O)[O-] ZINC000451430620 513747775 /nfs/dbraw/zinc/74/77/75/513747775.db2.gz YCBHJHSWOBHVIA-OLMNPRSZSA-N 1 0 361.442 2.857 20 5 FFBDRO CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000430828377 513759627 /nfs/dbraw/zinc/75/96/27/513759627.db2.gz SNGDAYFAWTUWKK-CRAIPNDOSA-N 1 0 363.458 2.990 20 5 FFBDRO CC(C)[C@@H](CNc1ccc([N+](=O)[O-])c2ncccc12)[NH+]1CCN(C)CC1 ZINC000448545591 513777571 /nfs/dbraw/zinc/77/75/71/513777571.db2.gz GJLCIDFBSRHQDA-GOSISDBHSA-N 1 0 357.458 2.827 20 5 FFBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2C[C@](C)(OC)C2(C)C)c([N+](=O)[O-])c1 ZINC000451485183 513780574 /nfs/dbraw/zinc/78/05/74/513780574.db2.gz IGXBZJLRJCUXCA-POHZPAGDSA-N 1 0 365.430 2.724 20 5 FFBDRO Cc1cc(S(=O)(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)c(C)cc1[N+](=O)[O-] ZINC000416460083 513783066 /nfs/dbraw/zinc/78/30/66/513783066.db2.gz UNPFMQWYLKUXMB-AWEZNQCLSA-N 1 0 369.487 2.562 20 5 FFBDRO CC(C)c1n[nH]c(C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)c1[N+](=O)[O-] ZINC000436234369 513803694 /nfs/dbraw/zinc/80/36/94/513803694.db2.gz XBRJUDPMPWQGPP-CQSZACIVSA-N 1 0 363.462 2.968 20 5 FFBDRO CCO[C@@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C[C@H]1C ZINC000451540410 513820032 /nfs/dbraw/zinc/82/00/32/513820032.db2.gz KWARWSLLMSQAOD-CZUORRHYSA-N 1 0 365.430 2.679 20 5 FFBDRO C[NH+](C)[C@@H]1CCN(C(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000436320380 513826595 /nfs/dbraw/zinc/82/65/95/513826595.db2.gz SZRCBJQRVFELQJ-GFCCVEGCSA-N 1 0 371.387 2.736 20 5 FFBDRO O=c1cc(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)nc2ccccn12 ZINC000451554058 513829630 /nfs/dbraw/zinc/82/96/30/513829630.db2.gz YWUWKWYRMLQBNM-INIZCTEOSA-N 1 0 364.405 2.982 20 5 FFBDRO Cc1cc(NC(=O)CC[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)no1 ZINC000451569251 513840862 /nfs/dbraw/zinc/84/08/62/513840862.db2.gz OOYVPLUWLXXFPM-HNNXBMFYSA-N 1 0 358.398 2.521 20 5 FFBDRO C[C@H](CNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)[N@@H+]1CCCC[C@@H]1C ZINC000448697174 513851063 /nfs/dbraw/zinc/85/10/63/513851063.db2.gz LFKBBLCFFQQHBF-LSDHHAIUSA-N 1 0 361.442 2.937 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H](C(C)C)[C@@H](CO)C(C)C ZINC000451605386 513862534 /nfs/dbraw/zinc/86/25/34/513862534.db2.gz ZTTDCNRIFGSZBR-WMLDXEAASA-N 1 0 351.447 2.720 20 5 FFBDRO CC(C)[N@H+](C)CCCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431504100 513912819 /nfs/dbraw/zinc/91/28/19/513912819.db2.gz ZKZKPECFITWGKE-UHFFFAOYSA-N 1 0 358.236 2.817 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CC[C@@H]4C[C@H](O)CC[C@@H]4C3)o2)cc1 ZINC000451714594 513933471 /nfs/dbraw/zinc/93/34/71/513933471.db2.gz SIBCTDXKSSOTIX-IIAWOOMASA-N 1 0 358.398 2.628 20 5 FFBDRO O=C(NCC[C@@H]1CC[NH2+]C1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000422804039 513937526 /nfs/dbraw/zinc/93/75/26/513937526.db2.gz GYYQWJFCRNLQQV-LBPRGKRZSA-N 1 0 353.397 2.550 20 5 FFBDRO C[NH2+]C[C@H](C)CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000422823989 513942470 /nfs/dbraw/zinc/94/24/70/513942470.db2.gz FTYVGGMVQSNORA-JTQLQIEISA-N 1 0 359.376 2.545 20 5 FFBDRO C[NH+](C)C[C@@H]1CCc2ccccc2N1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000436718860 513955167 /nfs/dbraw/zinc/95/51/67/513955167.db2.gz BNYZVDWMJKBOSC-INIZCTEOSA-N 1 0 369.421 2.883 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@H](CO)c2ccc(F)cc2)n1 ZINC000414295078 514036985 /nfs/dbraw/zinc/03/69/85/514036985.db2.gz QPVRIWRQBGMGJW-DJIMGWMZSA-N 1 0 362.405 2.780 20 5 FFBDRO COc1cccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2OC)[NH+](C)C)c1 ZINC000426871972 514062486 /nfs/dbraw/zinc/06/24/86/514062486.db2.gz RIKCTYYKBSANNP-QGZVFWFLSA-N 1 0 373.409 2.645 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CCN(C(=O)c2ccncc2)CC1 ZINC000449105914 514073030 /nfs/dbraw/zinc/07/30/30/514073030.db2.gz FUGGWLUGXFYWSW-OAHLLOKOSA-N 1 0 368.437 2.815 20 5 FFBDRO Cc1ccc(N2CCC[C@@H]([NH2+][C@H](C)Cc3ccccc3[N+](=O)[O-])C2)nn1 ZINC000449119713 514080765 /nfs/dbraw/zinc/08/07/65/514080765.db2.gz APBLHNYDGLBWPH-NVXWUHKLSA-N 1 0 355.442 2.883 20 5 FFBDRO CC(C)OCCOC1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000451959638 514094552 /nfs/dbraw/zinc/09/45/52/514094552.db2.gz SMXZNXBZKMVELX-UHFFFAOYSA-N 1 0 352.431 2.880 20 5 FFBDRO C[C@H](CC[NH+](C)C)NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444025246 514101975 /nfs/dbraw/zinc/10/19/75/514101975.db2.gz TWWGEVJLRFKCQZ-GFCCVEGCSA-N 1 0 355.413 2.890 20 5 FFBDRO [NH3+][C@@H]1CCO[C@@H](C2CCN(Cc3ccc(Cl)cc3[N+](=O)[O-])CC2)C1 ZINC000420391076 514125874 /nfs/dbraw/zinc/12/58/74/514125874.db2.gz NXLKOSPLNCTJRR-NVXWUHKLSA-N 1 0 353.850 2.967 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCN(Cc2ccccn2)C1=O ZINC000449240671 514126044 /nfs/dbraw/zinc/12/60/44/514126044.db2.gz OHLGMOJPIUNIJB-MAUKXSAKSA-N 1 0 368.437 2.702 20 5 FFBDRO COc1ccc(-c2ccc(C[N@@H+]3CC[C@H](C(=O)N(C)C)C3)o2)c([N+](=O)[O-])c1 ZINC000414494906 514148697 /nfs/dbraw/zinc/14/86/97/514148697.db2.gz FVTCZZZQOOGYGY-ZDUSSCGKSA-N 1 0 373.409 2.774 20 5 FFBDRO CC(C)[C@H](CNc1ccnc2c1cccc2[N+](=O)[O-])[NH+]1CCN(C)CC1 ZINC000432334168 514164042 /nfs/dbraw/zinc/16/40/42/514164042.db2.gz JELVQILGJNZKMC-SFHVURJKSA-N 1 0 357.458 2.827 20 5 FFBDRO CCc1[nH]nc(-c2nc(-c3ccccc3OCC[NH+](C)C)no2)c1[N+](=O)[O-] ZINC000420508065 514176231 /nfs/dbraw/zinc/17/62/31/514176231.db2.gz ZGKHRTFIEFANLP-UHFFFAOYSA-N 1 0 372.385 2.538 20 5 FFBDRO NC(=O)c1cccc([N+](=O)[O-])c1NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000420582943 514191465 /nfs/dbraw/zinc/19/14/65/514191465.db2.gz IESXIOSZGLNMCK-UHFFFAOYSA-N 1 0 372.400 2.909 20 5 FFBDRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000423696307 514204153 /nfs/dbraw/zinc/20/41/53/514204153.db2.gz HRHGOXMDXSTASV-ZYHUDNBSSA-N 1 0 357.863 2.974 20 5 FFBDRO O=C(NCCC[C@H]1CCC[NH2+]1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000423710097 514207529 /nfs/dbraw/zinc/20/75/29/514207529.db2.gz WYDVAKCGSQAYNC-GFCCVEGCSA-N 1 0 356.220 2.619 20 5 FFBDRO COC(=O)COc1ccc(C[N@@H+]2C[C@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)cc1[N+](=O)[O-] ZINC000449452308 514214503 /nfs/dbraw/zinc/21/45/03/514214503.db2.gz UHIKSMVXWOIAMV-OLPIVMHESA-N 1 0 372.421 2.791 20 5 FFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000423749329 514218497 /nfs/dbraw/zinc/21/84/97/514218497.db2.gz SMJBMEVVCQCXHD-NSHDSACASA-N 1 0 351.350 2.716 20 5 FFBDRO C[NH2+][C@@H](C)Cc1noc(-c2cc([N+](=O)[O-])cc(Br)c2C)n1 ZINC000414647049 514220928 /nfs/dbraw/zinc/22/09/28/514220928.db2.gz QCZRZIOTCJPUND-ZETCQYMHSA-N 1 0 355.192 2.866 20 5 FFBDRO CCn1cc([N+](=O)[O-])c(C(=O)NCc2ccc(C[NH+](CC)CC)cc2)n1 ZINC000427516635 514239473 /nfs/dbraw/zinc/23/94/73/514239473.db2.gz ZXICZRVOYATOHE-UHFFFAOYSA-N 1 0 359.430 2.583 20 5 FFBDRO CC[C@@H]([NH2+]Cc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-])[C@@H](C)O ZINC000449537620 514247023 /nfs/dbraw/zinc/24/70/23/514247023.db2.gz GFNHBMDQTIBPAX-MWLCHTKSSA-N 1 0 366.336 2.794 20 5 FFBDRO COC(=O)COc1ccc(C[N@@H+]2C[C@@H](C3CC3)[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000449542637 514247318 /nfs/dbraw/zinc/24/73/18/514247318.db2.gz QUYKEFHRFITTCE-HNAYVOBHSA-N 1 0 360.410 2.767 20 5 FFBDRO CCOc1cc(NC(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)c([N+](=O)[O-])cc1OCC ZINC000414762369 514279385 /nfs/dbraw/zinc/27/93/85/514279385.db2.gz VWXPHNVOCIZMJH-VXGBXAGGSA-N 1 0 366.418 2.641 20 5 FFBDRO CCCOc1cc(NC(=O)N[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])cc1OCCC ZINC000414794453 514296189 /nfs/dbraw/zinc/29/61/89/514296189.db2.gz TXSRGVMNGFWARB-GFCCVEGCSA-N 1 0 366.418 2.656 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N(C)[C@@H](C[NH3+])C3CC3)cc2[N+](=O)[O-])C1 ZINC000423947673 514301874 /nfs/dbraw/zinc/30/18/74/514301874.db2.gz KBAFJEXVCHIOPW-ACJLOTCBSA-N 1 0 360.458 2.640 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000449683588 514302635 /nfs/dbraw/zinc/30/26/35/514302635.db2.gz PNCTXEMWVSEBSG-DGCLKSJQSA-N 1 0 355.822 2.664 20 5 FFBDRO COc1cc(OCC(=O)N[C@@H](CCC[NH3+])c2ccccc2)ccc1[N+](=O)[O-] ZINC000423971158 514316307 /nfs/dbraw/zinc/31/63/07/514316307.db2.gz NNODVMXDRLFVAI-INIZCTEOSA-N 1 0 373.409 2.579 20 5 FFBDRO CCOc1ccc(C(=O)NC[C@H]([NH3+])c2ccccc2CC)cc1[N+](=O)[O-] ZINC000423974762 514316997 /nfs/dbraw/zinc/31/69/97/514316997.db2.gz LDWLNQXTQTWAEQ-INIZCTEOSA-N 1 0 357.410 2.986 20 5 FFBDRO Cc1ccccc1[C@H](CC(F)(F)F)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000444778689 514329744 /nfs/dbraw/zinc/32/97/44/514329744.db2.gz JPARGGURZUVGFN-HIFRSBDPSA-N 1 0 372.347 2.744 20 5 FFBDRO C[NH2+]CCCN(C)C(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000424011271 514338535 /nfs/dbraw/zinc/33/85/35/514338535.db2.gz MYAOLECOQDRIAQ-GJZGRUSLSA-N 1 0 362.474 2.759 20 5 FFBDRO CCc1ccc(C(=O)N2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)cc1[N+](=O)[O-] ZINC000424014720 514341364 /nfs/dbraw/zinc/34/13/64/514341364.db2.gz VZORFPGOMHOZTI-WMZOPIPTSA-N 1 0 361.442 2.516 20 5 FFBDRO O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000427915344 514344628 /nfs/dbraw/zinc/34/46/28/514344628.db2.gz JHFGRLDTYAZVHO-UHFFFAOYSA-N 1 0 355.394 2.649 20 5 FFBDRO Cn1cc(C[N@@H+]2CC(C)(C)[C@@H]3COC[C@@H]32)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000449781605 514351690 /nfs/dbraw/zinc/35/16/90/514351690.db2.gz IULYHKCLPRLFRA-SJORKVTESA-N 1 0 356.426 2.852 20 5 FFBDRO Cn1cc(CNC[C@H]2[NH2+]CCCC2(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000414923045 514358796 /nfs/dbraw/zinc/35/87/96/514358796.db2.gz DRPUYJHPUKZJEZ-QGZVFWFLSA-N 1 0 357.458 2.863 20 5 FFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1Cc2cccc(O)c2C1 ZINC000433057833 514364367 /nfs/dbraw/zinc/36/43/67/514364367.db2.gz NIWWQWPLMNSTAC-SWLSCSKDSA-N 1 0 355.394 2.775 20 5 FFBDRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414948211 514371137 /nfs/dbraw/zinc/37/11/37/514371137.db2.gz LWDYSQKJTMLLEX-KOLCDFICSA-N 1 0 358.345 2.835 20 5 FFBDRO Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc([C@@H](C)[NH3+])cc2)cc1[N+](=O)[O-] ZINC000414951832 514372022 /nfs/dbraw/zinc/37/20/22/514372022.db2.gz QEVWPCWCKLKKOY-CHWSQXEVSA-N 1 0 370.409 2.739 20 5 FFBDRO O=C(C[N@@H+]1CC[C@H](C2CCCC2)C1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000420963289 514405026 /nfs/dbraw/zinc/40/50/26/514405026.db2.gz MYCXYGRBFAEQAY-ZDUSSCGKSA-N 1 0 361.398 2.774 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ccc(CNC[C@@H]3C[NH2+]CCCO3)o2)c(Cl)c1 ZINC000415047719 514415325 /nfs/dbraw/zinc/41/53/25/514415325.db2.gz WFDWBUMHHCUXQG-AWEZNQCLSA-N 1 0 365.817 2.976 20 5 FFBDRO COCC[N@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])[C@@H]1CCCSC1 ZINC000433192936 514416271 /nfs/dbraw/zinc/41/62/71/514416271.db2.gz IFTXCTFRBXEGLO-CQSZACIVSA-N 1 0 370.471 2.826 20 5 FFBDRO C[C@@H]1CC2(CN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1)CC[NH2+]CC2 ZINC000424221962 514422223 /nfs/dbraw/zinc/42/22/23/514422223.db2.gz HSFBIQMHGSVJIJ-OAHLLOKOSA-N 1 0 360.458 2.778 20 5 FFBDRO COc1cc(CN(C)C[C@H]2CCC[N@@H+]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000421006124 514435265 /nfs/dbraw/zinc/43/52/65/514435265.db2.gz PRPLULZHRYVACM-CYBMUJFWSA-N 1 0 373.400 2.773 20 5 FFBDRO CC[NH+]1CCC(CCNC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CC1 ZINC000449950798 514437006 /nfs/dbraw/zinc/43/70/06/514437006.db2.gz RIFBSWYKTUWRAZ-UHFFFAOYSA-N 1 0 371.441 2.632 20 5 FFBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)c1nc(C2([NH3+])CCCCC2)no1 ZINC000424338480 514459279 /nfs/dbraw/zinc/45/92/79/514459279.db2.gz AHGUKMWYGVFIJK-LLVKDONJSA-N 1 0 363.422 2.701 20 5 FFBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(C2([NH3+])CCCCC2)no1 ZINC000424337049 514459599 /nfs/dbraw/zinc/45/95/99/514459599.db2.gz KOOMFTSMWBKYHR-NSHDSACASA-N 1 0 359.386 2.587 20 5 FFBDRO C[NH+]1CCN(c2cc(-c3nc(-c4ccc([N+](=O)[O-])s4)no3)ccn2)CC1 ZINC000445466360 514483351 /nfs/dbraw/zinc/48/33/51/514483351.db2.gz AAGTZKUVCXCXBB-UHFFFAOYSA-N 1 0 372.410 2.520 20 5 FFBDRO NC(=O)c1cccc(N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000439098499 514493165 /nfs/dbraw/zinc/49/31/65/514493165.db2.gz JMJYFWSITUNVBY-OAHLLOKOSA-N 1 0 354.410 2.770 20 5 FFBDRO CC(C)[C@H](CNc1nccc2c1cccc2[N+](=O)[O-])[NH+]1CCN(C)CC1 ZINC000450242170 514561545 /nfs/dbraw/zinc/56/15/45/514561545.db2.gz KXFISCSNCSTYLO-SFHVURJKSA-N 1 0 357.458 2.827 20 5 FFBDRO C[C@@H](c1ccccc1)[C@H](O)C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000450260842 514569812 /nfs/dbraw/zinc/56/98/12/514569812.db2.gz LFTBNINCKMNUOX-OXJNMPFZSA-N 1 0 355.438 2.881 20 5 FFBDRO CCC[C@H]1CN(Cc2cc(OC)c(F)cc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000466199517 514573789 /nfs/dbraw/zinc/57/37/89/514573789.db2.gz DTXJJFMJHWJQHV-HNNXBMFYSA-N 1 0 369.437 2.675 20 5 FFBDRO CC[NH+](CC)[C@H](CNC(=O)CCn1cc([N+](=O)[O-])nc1C)c1ccccc1 ZINC000497693933 514599608 /nfs/dbraw/zinc/59/96/08/514599608.db2.gz NBKYIBPLPRWJLT-QGZVFWFLSA-N 1 0 373.457 2.689 20 5 FFBDRO O=C(NC1CC[NH+](C2CCC2)CC1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000455570516 514599817 /nfs/dbraw/zinc/59/98/17/514599817.db2.gz XDVZVUZMOSJHJH-UHFFFAOYSA-N 1 0 374.441 2.516 20 5 FFBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+]CCN2CCC(O)CC2)c2ccccc2)c1 ZINC000453379607 514614975 /nfs/dbraw/zinc/61/49/75/514614975.db2.gz QUUUFMUAFFLRJH-FQEVSTJZSA-N 1 0 355.438 2.731 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000475314503 514616175 /nfs/dbraw/zinc/61/61/75/514616175.db2.gz UQYFBCFEAFFGII-INIZCTEOSA-N 1 0 369.421 2.950 20 5 FFBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000461544595 514651811 /nfs/dbraw/zinc/65/18/11/514651811.db2.gz JZRFADMXTJXWJJ-AWEZNQCLSA-N 1 0 359.430 2.631 20 5 FFBDRO Cc1cc(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)ccc1C[NH+](C)C ZINC000458255578 514667023 /nfs/dbraw/zinc/66/70/23/514667023.db2.gz BMFWYKQYCQUTLV-UHFFFAOYSA-N 1 0 357.366 2.946 20 5 FFBDRO CCN(CCC[NH+]1CCCC1)C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000508197919 514702990 /nfs/dbraw/zinc/70/29/90/514702990.db2.gz MCIGEJXYPQONIJ-UHFFFAOYSA-N 1 0 358.442 2.884 20 5 FFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1 ZINC000458325857 514710754 /nfs/dbraw/zinc/71/07/54/514710754.db2.gz UCTZUPIGROIOQK-UHFFFAOYSA-N 1 0 362.361 2.630 20 5 FFBDRO Cc1cc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000489179377 514740169 /nfs/dbraw/zinc/74/01/69/514740169.db2.gz ZAEKPCMZZXICNV-RDJZCZTQSA-N 1 0 353.426 2.821 20 5 FFBDRO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000471281328 514824381 /nfs/dbraw/zinc/82/43/81/514824381.db2.gz CWNNANFVGSDXCV-HNNXBMFYSA-N 1 0 357.385 2.986 20 5 FFBDRO CN(CC[NH+](C)C)C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000480112954 514844617 /nfs/dbraw/zinc/84/46/17/514844617.db2.gz XOPVEKHCSCSJTK-UHFFFAOYSA-N 1 0 356.426 2.841 20 5 FFBDRO COc1cc(C(=O)Nc2cc(C)c3nccn3c2)c([N+](=O)[O-])cc1OC ZINC000502959594 514859103 /nfs/dbraw/zinc/85/91/03/514859103.db2.gz LNSRAZNOITZMIA-UHFFFAOYSA-N 1 0 356.338 2.820 20 5 FFBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000471387919 514862841 /nfs/dbraw/zinc/86/28/41/514862841.db2.gz LDZVLFXROANKTO-KDURUIRLSA-N 1 0 365.433 2.728 20 5 FFBDRO CC(C)OCC[C@@H](O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000471551930 514927064 /nfs/dbraw/zinc/92/70/64/514927064.db2.gz QLRDCXAAUZZIHV-MRXNPFEDSA-N 1 0 352.431 2.614 20 5 FFBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000467222029 514944332 /nfs/dbraw/zinc/94/43/32/514944332.db2.gz GMIDNMPSLNUMNG-NWDGAFQWSA-N 1 0 354.838 2.872 20 5 FFBDRO COc1c(C(=O)Nc2cc(C)nn2C2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000476282314 514982492 /nfs/dbraw/zinc/98/24/92/514982492.db2.gz FBAIBTMLCFXCOX-UHFFFAOYSA-N 1 0 373.413 2.627 20 5 FFBDRO C[N@H+](CCC(=O)N1CCOc2ccccc21)CCc1cccc([N+](=O)[O-])c1 ZINC000503265396 514985232 /nfs/dbraw/zinc/98/52/32/514985232.db2.gz OREIUOGIPVAAEA-UHFFFAOYSA-N 1 0 369.421 2.885 20 5 FFBDRO C[C@@H](CC[NH+](C)C)NC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000498648751 515010505 /nfs/dbraw/zinc/01/05/05/515010505.db2.gz KDVKYNYYNOFTSE-GJZGRUSLSA-N 1 0 362.474 2.901 20 5 FFBDRO CCN(C(=O)c1cc([N+](=O)[O-])nn1C)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000476381879 515027353 /nfs/dbraw/zinc/02/73/53/515027353.db2.gz YEYXDRGEKZQOAK-HOCLYGCPSA-N 1 0 371.441 2.626 20 5 FFBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000489946956 515042881 /nfs/dbraw/zinc/04/28/81/515042881.db2.gz RGJWHKVRAFUAGL-RLFYNMQTSA-N 1 0 360.458 2.509 20 5 FFBDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000503483698 515050523 /nfs/dbraw/zinc/05/05/23/515050523.db2.gz CGOIJAWPSTVNCE-OAHLLOKOSA-N 1 0 372.425 2.755 20 5 FFBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000456260469 515056281 /nfs/dbraw/zinc/05/62/81/515056281.db2.gz FPHLXIKCEXVTKH-MRXNPFEDSA-N 1 0 357.414 2.677 20 5 FFBDRO COc1cc(CN(C)[C@H]2CCN(c3ccccc3)C2=O)ccc1[N+](=O)[O-] ZINC000490007710 515067046 /nfs/dbraw/zinc/06/70/46/515067046.db2.gz XUWNYXXSQNMBHJ-KRWDZBQOSA-N 1 0 355.394 2.841 20 5 FFBDRO C[NH+](C)[C@H]1CCc2cc(NC(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)ccc21 ZINC000456286461 515071544 /nfs/dbraw/zinc/07/15/44/515071544.db2.gz VNGRAQNVQHXCFA-INIZCTEOSA-N 1 0 357.414 2.714 20 5 FFBDRO COc1c(C(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000476538285 515092324 /nfs/dbraw/zinc/09/23/24/515092324.db2.gz CDBWJXFFTUZTGB-CQSZACIVSA-N 1 0 357.410 2.854 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC[C@H](C)[NH+]2CCC(C)CC2)c1C ZINC000480955169 515149154 /nfs/dbraw/zinc/14/91/54/515149154.db2.gz MWRKGNSOXHYCQD-AWEZNQCLSA-N 1 0 369.487 2.610 20 5 FFBDRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000485704022 515150902 /nfs/dbraw/zinc/15/09/02/515150902.db2.gz JNOGIJHHXOCDTL-STQMWFEESA-N 1 0 369.412 2.900 20 5 FFBDRO O=C(NC1CC1)[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000467977280 515183156 /nfs/dbraw/zinc/18/31/56/515183156.db2.gz AWKIXUNDHHQMJK-SFHVURJKSA-N 1 0 357.385 2.886 20 5 FFBDRO CC[C@H](C)[NH+]1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000456535428 515241228 /nfs/dbraw/zinc/24/12/28/515241228.db2.gz UGLGDTDTOURPRH-NSHDSACASA-N 1 0 370.247 2.914 20 5 FFBDRO Cn1c(C(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)ccc1[N+](=O)[O-] ZINC000499243603 515254849 /nfs/dbraw/zinc/25/48/49/515254849.db2.gz MMICIKHXNFFXKB-UHFFFAOYSA-N 1 0 364.833 2.791 20 5 FFBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000462880801 515279991 /nfs/dbraw/zinc/27/99/91/515279991.db2.gz GKIKZLHDKUNJPF-UONOGXRCSA-N 1 0 367.833 2.521 20 5 FFBDRO COc1ccc(-c2ccc(CN3CC(=O)NCC3(C)C)o2)c([N+](=O)[O-])c1 ZINC000504548675 515326158 /nfs/dbraw/zinc/32/61/58/515326158.db2.gz YBCYOULBRADBHC-UHFFFAOYSA-N 1 0 359.382 2.574 20 5 FFBDRO CC[NH+]1CCN(c2ccc(C(=O)NCc3ccccc3[N+](=O)[O-])cc2)CC1 ZINC000468393311 515337350 /nfs/dbraw/zinc/33/73/50/515337350.db2.gz SZMAMAQRUKCBDA-UHFFFAOYSA-N 1 0 368.437 2.667 20 5 FFBDRO Cc1n[nH]c(C(=O)N2CC[NH+](C(C)(C)CC(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000456687107 515352666 /nfs/dbraw/zinc/35/26/66/515352666.db2.gz FUISKPPGTXBHFL-UHFFFAOYSA-N 1 0 351.451 2.599 20 5 FFBDRO O=C(NC1CC[NH+](C2CCC2)CC1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000456702964 515366206 /nfs/dbraw/zinc/36/62/06/515366206.db2.gz QMCXWRROLMIZDM-UHFFFAOYSA-N 1 0 369.425 2.527 20 5 FFBDRO CC[C@@H](C)[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)CC(=O)OC ZINC000499787143 515454079 /nfs/dbraw/zinc/45/40/79/515454079.db2.gz SQNLWGHYWIYKCD-CYBMUJFWSA-N 1 0 351.403 2.505 20 5 FFBDRO CC(C)O[C@@H]1C[C@H]([NH2+][C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1(C)C ZINC000463401866 515478068 /nfs/dbraw/zinc/47/80/68/515478068.db2.gz BUSDEFQYHFMRSQ-IXDOHACOSA-N 1 0 361.442 2.882 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000491890191 515480471 /nfs/dbraw/zinc/48/04/71/515480471.db2.gz KGMNWBWRNGPQBP-CSMYWGQOSA-N 1 0 353.850 2.932 20 5 FFBDRO C[C@H]1CN(Cc2c(Cl)cccc2[N+](=O)[O-])CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000491978287 515488225 /nfs/dbraw/zinc/48/82/25/515488225.db2.gz JHLAQOUXOHNYKB-YOEHRIQHSA-N 1 0 366.893 2.706 20 5 FFBDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000463621318 515561554 /nfs/dbraw/zinc/56/15/54/515561554.db2.gz FAFGTROFNKQWHQ-INIZCTEOSA-N 1 0 362.474 2.802 20 5 FFBDRO COc1cc(CN2CC[N@H+](C)[C@H](C)[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000505592543 515599954 /nfs/dbraw/zinc/59/99/54/515599954.db2.gz TUGKJRPHZSOTBQ-NEPJUHHUSA-N 1 0 373.400 2.772 20 5 FFBDRO O=[N+]([O-])c1cccnc1N1CCN(C[C@@H]2CCC3(CCCCC3)O2)CC1 ZINC000459511494 515608119 /nfs/dbraw/zinc/60/81/19/515608119.db2.gz PKTVQRWCWSVGLF-INIZCTEOSA-N 1 0 360.458 2.994 20 5 FFBDRO CCOC(=O)c1noc(CN2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000459514177 515610313 /nfs/dbraw/zinc/61/03/13/515610313.db2.gz OYMWYUPVCCSTFS-ZDUSSCGKSA-N 1 0 360.370 2.534 20 5 FFBDRO COc1cc(CN2C[C@@H](C)[N@H+](C)C[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000505627284 515614252 /nfs/dbraw/zinc/61/42/52/515614252.db2.gz BXKANRXTAPVJIS-NEPJUHHUSA-N 1 0 373.400 2.772 20 5 FFBDRO C[C@H]1CCCN(c2ccc(C(=O)N(CC[NH+](C)C)C3CC3)cc2[N+](=O)[O-])C1 ZINC000505635667 515617842 /nfs/dbraw/zinc/61/78/42/515617842.db2.gz OXSYKDOCTAUOKZ-HNNXBMFYSA-N 1 0 374.485 2.997 20 5 FFBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000457088286 515641295 /nfs/dbraw/zinc/64/12/95/515641295.db2.gz RCKCVRZOMANCTR-INIZCTEOSA-N 1 0 360.458 2.750 20 5 FFBDRO CCOc1cc(C[NH2+][C@@]2(CO)C[C@H](OCC)C2(C)C)ccc1[N+](=O)[O-] ZINC000493570917 515644415 /nfs/dbraw/zinc/64/44/15/515644415.db2.gz CWFNLAWEQIVPRI-FUHWJXTLSA-N 1 0 352.431 2.649 20 5 FFBDRO CC(C)[NH+](CCN(C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000505826109 515687199 /nfs/dbraw/zinc/68/71/99/515687199.db2.gz OTCTVUJYACHIQZ-HNNXBMFYSA-N 1 0 350.463 2.972 20 5 FFBDRO C[C@H]([NH2+]C1(CNc2ccncc2[N+](=O)[O-])CCOCC1)c1ccccc1 ZINC000500418666 515701181 /nfs/dbraw/zinc/70/11/81/515701181.db2.gz GOBWYMRDQIQRSX-HNNXBMFYSA-N 1 0 356.426 2.724 20 5 FFBDRO CCO[C@H]1C[C@@H]([NH2+]Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C1 ZINC000459626494 515705369 /nfs/dbraw/zinc/70/53/69/515705369.db2.gz CJYIIFPZHPCPFQ-TXEJJXNPSA-N 1 0 360.357 2.904 20 5 FFBDRO C[N@H+](CCCCNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000454787326 515742563 /nfs/dbraw/zinc/74/25/63/515742563.db2.gz XOSUQNSEGSXCTF-UHFFFAOYSA-N 1 0 368.865 2.964 20 5 FFBDRO O=C1C[C@H](c2ccccc2)N(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCN1 ZINC000482699467 515773871 /nfs/dbraw/zinc/77/38/71/515773871.db2.gz NOROZTCIPFBMKX-QGZVFWFLSA-N 1 0 365.393 2.534 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC000511124723 515793869 /nfs/dbraw/zinc/79/38/69/515793869.db2.gz LTDUJBQQKDPEOL-CABCVRRESA-N 1 0 369.487 2.568 20 5 FFBDRO CCN(CCC[NH+](CC)CC)S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000473946692 515814337 /nfs/dbraw/zinc/81/43/37/515814337.db2.gz HVQPJXCAAULWKG-UHFFFAOYSA-N 1 0 371.503 2.954 20 5 FFBDRO C[C@@H](C[N@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000459812637 515823534 /nfs/dbraw/zinc/82/35/34/515823534.db2.gz RZHREPVHYGZXIU-STQMWFEESA-N 1 0 365.430 2.831 20 5 FFBDRO CCOc1ccc([C@H](C)[NH2+]CCN2CCO[C@@H](CC)C2)cc1[N+](=O)[O-] ZINC000494511715 515867136 /nfs/dbraw/zinc/86/71/36/515867136.db2.gz HMPFRBGQIJAAIA-HOCLYGCPSA-N 1 0 351.447 2.755 20 5 FFBDRO O=C(CC[NH+]1CCC(Oc2ccccn2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000500990977 515930080 /nfs/dbraw/zinc/93/00/80/515930080.db2.gz UGFSCYPBRVTWIA-UHFFFAOYSA-N 1 0 370.409 2.862 20 5 FFBDRO CC[NH+](CC)C[C@H](C)NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000487856045 516008220 /nfs/dbraw/zinc/00/82/20/516008220.db2.gz MJUZPQGNVMYIHJ-LBPRGKRZSA-N 1 0 356.854 2.820 20 5 FFBDRO COC(=O)[C@@H]1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@H]1C ZINC000469997510 516068981 /nfs/dbraw/zinc/06/89/81/516068981.db2.gz ZYKKEKUDSOQWOE-SWLSCSKDSA-N 1 0 359.382 2.676 20 5 FFBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000512147839 516174709 /nfs/dbraw/zinc/17/47/09/516174709.db2.gz VJSLXMYJUPBDTD-NWDGAFQWSA-N 1 0 355.822 2.568 20 5 FFBDRO Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000479398030 516180471 /nfs/dbraw/zinc/18/04/71/516180471.db2.gz YFVZOWYKDBGTQA-ZDUSSCGKSA-N 1 0 363.439 2.710 20 5 FFBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000488409762 516218264 /nfs/dbraw/zinc/21/82/64/516218264.db2.gz HPZJXWKCPJVYJF-NSHDSACASA-N 1 0 357.357 2.658 20 5 FFBDRO Cn1cnc([N+](=O)[O-])c1N(CC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000470449801 516252798 /nfs/dbraw/zinc/25/27/98/516252798.db2.gz NWRJFLLSZDESOC-UHFFFAOYSA-N 1 0 371.363 2.915 20 5 FFBDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(c2ncc(Br)cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488727239 516294987 /nfs/dbraw/zinc/29/49/87/516294987.db2.gz WJRGMUKMWKPYDJ-GVXVVHGQSA-N 1 0 369.263 2.919 20 5 FFBDRO Cc1n[nH]c(C(=O)NCC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000512570889 516307249 /nfs/dbraw/zinc/30/72/49/516307249.db2.gz WQMZFVWBSZUBJN-CJNGLKHVSA-N 1 0 371.441 2.657 20 5 FFBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](CCO)C2CCOCC2)cc1[N+](=O)[O-] ZINC000461095966 516316252 /nfs/dbraw/zinc/31/62/52/516316252.db2.gz APRNUAVUFPNSHU-CZUORRHYSA-N 1 0 352.431 2.822 20 5 FFBDRO CCOc1ccc([C@H](C)[NH2+][C@H](CCO)C2CCOCC2)cc1[N+](=O)[O-] ZINC000461095967 516316389 /nfs/dbraw/zinc/31/63/89/516316389.db2.gz APRNUAVUFPNSHU-XJKSGUPXSA-N 1 0 352.431 2.822 20 5 FFBDRO C[N@@H+]1C[C@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)[C@H](c2ccccc2)C1 ZINC000497401296 516320042 /nfs/dbraw/zinc/32/00/42/516320042.db2.gz ZBLNGMAUZWOIOI-HKUYNNGSSA-N 1 0 364.405 2.904 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1C ZINC000497544742 516325917 /nfs/dbraw/zinc/32/59/17/516325917.db2.gz ZVCCAVRVXZRPOZ-IUODEOHRSA-N 1 0 369.487 2.610 20 5 FFBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C[C@@H]1C ZINC000497603994 516327735 /nfs/dbraw/zinc/32/77/35/516327735.db2.gz JXXKKPXTMHERES-QWRGUYRKSA-N 1 0 357.357 2.751 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]Cc2cccc(Cl)c2)cc1 ZINC000543620177 516330861 /nfs/dbraw/zinc/33/08/61/516330861.db2.gz ZGNOVCDKWZYAQG-UHFFFAOYSA-N 1 0 354.815 2.812 20 5 FFBDRO CN(c1ccccc1)c1ccc(C[NH2+][C@]2(CO)CCOC2)cc1[N+](=O)[O-] ZINC000543619434 516331136 /nfs/dbraw/zinc/33/11/36/516331136.db2.gz GKDCZBVJEVZUFX-IBGZPJMESA-N 1 0 357.410 2.604 20 5 FFBDRO CN1CC[NH+](CC2(C)CCN(c3c(F)cccc3[N+](=O)[O-])CC2)CC1 ZINC000557635323 516350018 /nfs/dbraw/zinc/35/00/18/516350018.db2.gz YNGRRJDZWQQLDE-UHFFFAOYSA-N 1 0 350.438 2.588 20 5 FFBDRO COC(=O)c1cc(C)nc(N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000557639662 516353827 /nfs/dbraw/zinc/35/38/27/516353827.db2.gz SBFBJSLDKKPBOG-HOTGVXAUSA-N 1 0 370.409 2.942 20 5 FFBDRO C[C@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C1(S(C)(=O)=O)CC1 ZINC000512865419 516391915 /nfs/dbraw/zinc/39/19/15/516391915.db2.gz SUPNDMWGBZDLAD-LBPRGKRZSA-N 1 0 364.423 2.910 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCCN1C(=O)c2ccccc2C1=O ZINC000512881055 516399214 /nfs/dbraw/zinc/39/92/14/516399214.db2.gz ZQFCUSKHJZTXKQ-UHFFFAOYSA-N 1 0 353.378 2.679 20 5 FFBDRO COc1ccc(C[NH2+]C[C@@H](O)COc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000550763216 516411599 /nfs/dbraw/zinc/41/15/99/516411599.db2.gz HEQOUYPEKIKKJY-CQSZACIVSA-N 1 0 366.801 2.786 20 5 FFBDRO CC[NH+](CC)CCCC1CCN(C(=O)c2cc([N+](=O)[O-])cn2C)CC1 ZINC000543952690 516510780 /nfs/dbraw/zinc/51/07/80/516510780.db2.gz ITUOIIKNFLQFOO-UHFFFAOYSA-N 1 0 350.463 2.908 20 5 FFBDRO O=C(C[NH2+][C@@H](CCO)c1ccccc1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000540329343 516513337 /nfs/dbraw/zinc/51/33/37/516513337.db2.gz MIXMNIFBGHMIRB-HNNXBMFYSA-N 1 0 363.801 2.900 20 5 FFBDRO CN1CCN([C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])c2cccs2)CC1 ZINC000540481420 516574983 /nfs/dbraw/zinc/57/49/83/516574983.db2.gz PLVSMSZSICXOCQ-QGZVFWFLSA-N 1 0 360.483 2.735 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(N[C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)c1 ZINC000535987342 516580217 /nfs/dbraw/zinc/58/02/17/516580217.db2.gz ZHJJAYCAPGMTLX-SFHVURJKSA-N 1 0 370.453 2.604 20 5 FFBDRO C[C@H]1C[C@@H](NC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)C[N@@H+]1C1CC1 ZINC000554699307 516593271 /nfs/dbraw/zinc/59/32/71/516593271.db2.gz BWJWVVBPLNDRLV-GXTWGEPZSA-N 1 0 371.441 2.543 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)c1C ZINC000523862990 516597725 /nfs/dbraw/zinc/59/77/25/516597725.db2.gz GMMWFSHOUGIDSH-INIZCTEOSA-N 1 0 371.503 2.856 20 5 FFBDRO Cc1ncc2c(n1)CC[C@@H]([NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)C2 ZINC000531691218 516598608 /nfs/dbraw/zinc/59/86/08/516598608.db2.gz MNXWDGGCJFBVPM-MLGOLLRUSA-N 1 0 369.425 2.557 20 5 FFBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000547855508 516600444 /nfs/dbraw/zinc/60/04/44/516600444.db2.gz VURHKAWDNJALDD-GOSISDBHSA-N 1 0 356.426 2.574 20 5 FFBDRO C[C@@H]([NH2+]Cc1ccc(C(=O)N2CCOCC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000531698867 516600360 /nfs/dbraw/zinc/60/03/60/516600360.db2.gz FJXBFTIMGMCRRU-OAHLLOKOSA-N 1 0 369.421 2.918 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H]1[C@H](C)[C@H](OC)C1(C)C ZINC000561503288 516620656 /nfs/dbraw/zinc/62/06/56/516620656.db2.gz ACWWSPUXDODKNA-QMMBQJITSA-N 1 0 365.430 2.580 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H]1[C@@H](C)[C@H](OC)C1(C)C ZINC000561503285 516620822 /nfs/dbraw/zinc/62/08/22/516620822.db2.gz ACWWSPUXDODKNA-CJTUPEFNSA-N 1 0 365.430 2.580 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCC[C@@H](C)[NH+]2CCCCC2)c1C ZINC000544187979 516633277 /nfs/dbraw/zinc/63/32/77/516633277.db2.gz LKDHUEREKMRMGR-CQSZACIVSA-N 1 0 369.487 2.754 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@H](C)[NH+]2CCC(C)CC2)c1 ZINC000540614453 516641639 /nfs/dbraw/zinc/64/16/39/516641639.db2.gz PCRDTGLQIKTONH-INIZCTEOSA-N 1 0 363.458 2.909 20 5 FFBDRO Cc1cn2c(n1)[C@@H](C[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)CCC2 ZINC000531988146 516745100 /nfs/dbraw/zinc/74/51/00/516745100.db2.gz DNKZNUGFDDFGKY-DZGCQCFKSA-N 1 0 371.441 2.984 20 5 FFBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000561823224 516786845 /nfs/dbraw/zinc/78/68/45/516786845.db2.gz QNABLCJCKLFNGC-AAEUAGOBSA-N 1 0 353.369 2.501 20 5 FFBDRO C[C@@H]1CC[C@@]2(CC[N@@H+]([C@H]3CC(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)C2)C1 ZINC000540977320 516812774 /nfs/dbraw/zinc/81/27/74/516812774.db2.gz HQKVGPVGTWTIJX-ACWOFJMJSA-N 1 0 357.410 2.739 20 5 FFBDRO NC(=O)[C@@H](C[NH2+]Cc1csc([N+](=O)[O-])c1)Cc1ccccc1Cl ZINC000544600385 516832472 /nfs/dbraw/zinc/83/24/72/516832472.db2.gz QOOGABGVJFOHJI-GFCCVEGCSA-N 1 0 353.831 2.744 20 5 FFBDRO CCN(CCC[NH+](C)C)C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000558641323 516855088 /nfs/dbraw/zinc/85/50/88/516855088.db2.gz IJNZZIJIHATSIZ-UHFFFAOYSA-N 1 0 361.446 2.602 20 5 FFBDRO C[C@H](CCC(C)(C)C)[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000551789768 516870293 /nfs/dbraw/zinc/87/02/93/516870293.db2.gz SRSNMSUBAFBULD-CYBMUJFWSA-N 1 0 357.476 2.678 20 5 FFBDRO C[C@@H](O)C[N@@H+]1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)[C@@H](C)C1 ZINC000551821242 516889176 /nfs/dbraw/zinc/88/91/76/516889176.db2.gz JCEGMQHFOXBBRM-LSDHHAIUSA-N 1 0 359.426 2.742 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCCC[C@@H]1C[NH+](C)C ZINC000519139859 516898140 /nfs/dbraw/zinc/89/81/40/516898140.db2.gz CZMKHAKOPNEEBQ-TZMCWYRMSA-N 1 0 369.849 2.958 20 5 FFBDRO CCc1nn(C)c(N2CC[N@H+](Cc3ccccc3)C(C)(C)C2)c1[N+](=O)[O-] ZINC000536703836 516900120 /nfs/dbraw/zinc/90/01/20/516900120.db2.gz AZOAAULIOLBFCR-UHFFFAOYSA-N 1 0 357.458 2.992 20 5 FFBDRO C[NH+](C)C1(CNC(=O)NCCNc2ccccc2[N+](=O)[O-])CCCCC1 ZINC000514436995 516930517 /nfs/dbraw/zinc/93/05/17/516930517.db2.gz OMFNWLYVTYAFQC-UHFFFAOYSA-N 1 0 363.462 2.570 20 5 FFBDRO CC(C)(CNC(=O)c1ccc([N+](=O)[O-])cn1)[N@@H+]1CCc2ccccc2C1 ZINC000532392707 516949810 /nfs/dbraw/zinc/94/98/10/516949810.db2.gz YVGOUNAFPVCOPG-UHFFFAOYSA-N 1 0 354.410 2.557 20 5 FFBDRO CC(C)(C)C1=CC[N@H+](CCNC(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000548455671 516997644 /nfs/dbraw/zinc/99/76/44/516997644.db2.gz KYGLMHWAEBGYCT-UHFFFAOYSA-N 1 0 361.442 2.768 20 5 FFBDRO COc1cc(C(=O)N2CCCC[C@H]2CC[NH3+])c([N+](=O)[O-])cc1OC(F)F ZINC000519596815 517069542 /nfs/dbraw/zinc/06/95/42/517069542.db2.gz LSOBLNVTJXDFIZ-JTQLQIEISA-N 1 0 373.356 2.548 20 5 FFBDRO COc1cc(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)cc([N+](=O)[O-])c1OC ZINC000525560306 517076231 /nfs/dbraw/zinc/07/62/31/517076231.db2.gz NVINIKZMKHEPLM-OLZOCXBDSA-N 1 0 365.430 2.605 20 5 FFBDRO O=[N+]([O-])c1cccc(CC[NH2+]C[C@@H](O)COc2ccccc2Cl)c1 ZINC000514856122 517092655 /nfs/dbraw/zinc/09/26/55/517092655.db2.gz ROBJQNTUSIMPFB-OAHLLOKOSA-N 1 0 350.802 2.820 20 5 FFBDRO COc1ccc(CC(=O)NC[C@@H]2CCCC[N@@H+]2CC(C)C)cc1[N+](=O)[O-] ZINC000532691299 517100721 /nfs/dbraw/zinc/10/07/21/517100721.db2.gz DXYAPARGEZWGPM-INIZCTEOSA-N 1 0 363.458 2.773 20 5 FFBDRO Cn1cc([C@H]2C[N@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)CC2(C)C)cn1 ZINC000562442911 517110235 /nfs/dbraw/zinc/11/02/35/517110235.db2.gz ANMWKWXSHHBZKX-QGZVFWFLSA-N 1 0 372.425 2.820 20 5 FFBDRO COc1cc(C[N@@H+]2CCC[C@H]([C@H]3CCOC3)C2)c([N+](=O)[O-])cc1OC ZINC000552190217 517131185 /nfs/dbraw/zinc/13/11/85/517131185.db2.gz CWKCLRQDWNYIFS-KBPBESRZSA-N 1 0 350.415 2.861 20 5 FFBDRO CNc1ccc(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000520060985 517266900 /nfs/dbraw/zinc/26/69/00/517266900.db2.gz OFSMMJHZPCVPQI-SFHVURJKSA-N 1 0 356.426 2.978 20 5 FFBDRO C[C@H](C(=O)NC(=O)Nc1ccccc1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000520257959 517321085 /nfs/dbraw/zinc/32/10/85/517321085.db2.gz SHRCCCJAFDNZLI-CQSZACIVSA-N 1 0 370.409 2.806 20 5 FFBDRO Cc1cc(C(C)(C)C)cc(C)c1CC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000559684270 517373802 /nfs/dbraw/zinc/37/38/02/517373802.db2.gz FVQAXOJGNKYQCD-GOSISDBHSA-N 1 0 374.485 2.899 20 5 FFBDRO CC(C)[C@@H](C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)[NH+]1CCCCC1 ZINC000520499068 517412987 /nfs/dbraw/zinc/41/29/87/517412987.db2.gz WYEAVUXNLORNOU-IBGZPJMESA-N 1 0 374.485 2.754 20 5 FFBDRO CCC[C@@H](C)[C@H](CC)[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000537938502 517413286 /nfs/dbraw/zinc/41/32/86/517413286.db2.gz BZRDCJJYKXAVJI-CJNGLKHVSA-N 1 0 357.476 2.678 20 5 FFBDRO CC(=O)[C@H](Cc1ccccc1)NC(=O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000538174690 517493236 /nfs/dbraw/zinc/49/32/36/517493236.db2.gz KVDBZTVETYXGLE-LIRRHRJNSA-N 1 0 369.421 2.562 20 5 FFBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000542317554 517502400 /nfs/dbraw/zinc/50/24/00/517502400.db2.gz IXCNRDUKAIOVGM-AWEZNQCLSA-N 1 0 369.487 2.700 20 5 FFBDRO CCC(CC)[C@@H](CNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)[NH+](C)C ZINC000527136275 517523775 /nfs/dbraw/zinc/52/37/75/517523775.db2.gz DNLVPMJBTMARTI-MRXNPFEDSA-N 1 0 357.476 2.548 20 5 FFBDRO CN1CCN([C@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)c2cccs2)CC1 ZINC000538283250 517539404 /nfs/dbraw/zinc/53/94/04/517539404.db2.gz RZXJGPMTAJCEII-CQSZACIVSA-N 1 0 366.512 2.796 20 5 FFBDRO CCC[N@H+](CC)C[C@H](C)NS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000520897518 517546526 /nfs/dbraw/zinc/54/65/26/517546526.db2.gz FKJJSBVEUZHZOE-AWEZNQCLSA-N 1 0 357.476 2.610 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N3CC[C@H]4C[NH2+]C[C@@H]4C3)cc2[N+](=O)[O-])C1 ZINC000556705687 517587534 /nfs/dbraw/zinc/58/75/34/517587534.db2.gz JWYJIKLEAYTFBU-HYVNUMGLSA-N 1 0 372.469 2.513 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCC[NH+](C(C)C)C(C)C)c1 ZINC000538398974 517603158 /nfs/dbraw/zinc/60/31/58/517603158.db2.gz XZCCXTNXJTZEJV-UHFFFAOYSA-N 1 0 351.447 2.907 20 5 FFBDRO CCN(CCC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1)CC(F)(F)F ZINC000542519746 517606935 /nfs/dbraw/zinc/60/69/35/517606935.db2.gz JOOKIWHKCJVOGN-UHFFFAOYSA-N 1 0 374.407 2.991 20 5 FFBDRO COc1ccc([C@H](C[NH+](C)C)NC(=O)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000560250762 517658207 /nfs/dbraw/zinc/65/82/07/517658207.db2.gz PWWBIVKWUBFECQ-KRWDZBQOSA-N 1 0 357.410 2.945 20 5 FFBDRO C[NH+](C)[C@H](CNC(=O)NCCc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000533926433 517673347 /nfs/dbraw/zinc/67/33/47/517673347.db2.gz OGCWPKWBECXXBI-GOSISDBHSA-N 1 0 362.474 2.947 20 5 FFBDRO C[C@@H]1Cc2ccccc2[C@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000542666925 517678644 /nfs/dbraw/zinc/67/86/44/517678644.db2.gz ZTWXIDITPWIGPG-ACJLOTCBSA-N 1 0 360.435 2.892 20 5 FFBDRO COCCNC(=O)[C@H](CC(C)C)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000538591479 517682563 /nfs/dbraw/zinc/68/25/63/517682563.db2.gz XDSGTNUUZRDWPT-PBHICJAKSA-N 1 0 351.447 2.731 20 5 FFBDRO [NH3+]C[C@H]1c2ccccc2CCN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000563154528 517697791 /nfs/dbraw/zinc/69/77/91/517697791.db2.gz OYTRVJPCQHJINQ-KRWDZBQOSA-N 1 0 365.393 2.703 20 5 FFBDRO CC[NH+](CC)CCOCCNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000542714444 517700703 /nfs/dbraw/zinc/70/07/03/517700703.db2.gz FVGPVSSHOYXAQI-UHFFFAOYSA-N 1 0 358.826 2.728 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NCC[C@@H](C)[NH+]2CCCCC2)c1 ZINC000542756899 517719738 /nfs/dbraw/zinc/71/97/38/517719738.db2.gz IIRIPRVWTMXRIJ-CQSZACIVSA-N 1 0 369.487 2.754 20 5 FFBDRO CNC(=O)CC[N@H+](C)Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000538739327 517757725 /nfs/dbraw/zinc/75/77/25/517757725.db2.gz RPOYEMYHWFQSPO-UHFFFAOYSA-N 1 0 356.426 2.931 20 5 FFBDRO O=C(NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)Nc1ccncc1[N+](=O)[O-] ZINC000542837973 517773637 /nfs/dbraw/zinc/77/36/37/517773637.db2.gz GGJCAPBLCXMGAX-HNNXBMFYSA-N 1 0 361.446 2.578 20 5 FFBDRO O=C(NC[C@H]1CCC[N@@H+]1CC1CCCCC1)Nc1ccncc1[N+](=O)[O-] ZINC000542837974 517774194 /nfs/dbraw/zinc/77/41/94/517774194.db2.gz GGJCAPBLCXMGAX-OAHLLOKOSA-N 1 0 361.446 2.578 20 5 FFBDRO COc1ccccc1[C@@H](CO)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000542909956 517808562 /nfs/dbraw/zinc/80/85/62/517808562.db2.gz CVQWMCRRFWPGLY-QGZVFWFLSA-N 1 0 373.409 2.564 20 5 FFBDRO C[C@@H]1C[C@H](N[C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC000560524576 517870877 /nfs/dbraw/zinc/87/08/77/517870877.db2.gz GWANERQKUTYDLY-QIIPPGSGSA-N 1 0 355.442 2.633 20 5 FFBDRO COc1cc(C[C@H](CO)C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)cc(OC)c1 ZINC000530631078 517889142 /nfs/dbraw/zinc/88/91/42/517889142.db2.gz QJHLCYBNZROQME-KRWDZBQOSA-N 1 0 374.437 2.861 20 5 FFBDRO CCNC(=O)N1CC[C@@H]([NH2+][C@H](CC)CSc2ccccc2[N+](=O)[O-])C1 ZINC000539061345 517900353 /nfs/dbraw/zinc/90/03/53/517900353.db2.gz UJYYCEHRBRSTFX-ZIAGYGMSSA-N 1 0 366.487 2.859 20 5 FFBDRO C[N@H+](Cc1ccco1)Cc1ccccc1CNc1ncc([N+](=O)[O-])cn1 ZINC000546880560 517902651 /nfs/dbraw/zinc/90/26/51/517902651.db2.gz BWFMJZSYLJWUAU-UHFFFAOYSA-N 1 0 353.382 2.644 20 5 FFBDRO COC[C@@](C)(CCO)[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000530697852 517927274 /nfs/dbraw/zinc/92/72/74/517927274.db2.gz RQKMMKSSVBFCEV-GOSISDBHSA-N 1 0 364.398 2.741 20 5 FFBDRO CCOC(=O)[C@@]1(C(C)C)CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000516950036 517934828 /nfs/dbraw/zinc/93/48/28/517934828.db2.gz UWCOKEMFHCNBRH-SFHVURJKSA-N 1 0 350.415 2.885 20 5 FFBDRO CC(C)[C@H](CNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)[NH+]1CCC(C)CC1 ZINC000557493332 518036360 /nfs/dbraw/zinc/03/63/60/518036360.db2.gz MXRNRUJAMQUZCC-KRWDZBQOSA-N 1 0 373.457 2.834 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CCOc1ccc(Cl)cc1 ZINC000563649225 518044639 /nfs/dbraw/zinc/04/46/39/518044639.db2.gz HBFDGLDHTVPZQN-CQSZACIVSA-N 1 0 366.801 2.657 20 5 FFBDRO C[C@H](CNc1cccc(C(N)=O)c1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000557522298 518052822 /nfs/dbraw/zinc/05/28/22/518052822.db2.gz ZMSUSJCIZSQDMV-CYBMUJFWSA-N 1 0 354.410 2.552 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000539502768 518079525 /nfs/dbraw/zinc/07/95/25/518079525.db2.gz VYMOUFKAFWQTIQ-CVEARBPZSA-N 1 0 363.458 2.909 20 5 FFBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCCS2(=O)=O)cc1[N+](=O)[O-] ZINC000543428642 518085421 /nfs/dbraw/zinc/08/54/21/518085421.db2.gz BVIWOYPUPZHZGS-OCCSQVGLSA-N 1 0 356.444 2.611 20 5 FFBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000531057925 518119121 /nfs/dbraw/zinc/11/91/21/518119121.db2.gz MBHXRYKTFQBBHJ-AWEZNQCLSA-N 1 0 356.426 2.880 20 5 FFBDRO C[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1Oc2ccccc2[C@H]1C ZINC000543544070 518132684 /nfs/dbraw/zinc/13/26/84/518132684.db2.gz MCWZSAAADJZOHD-XGKMFUNXSA-N 1 0 372.421 2.877 20 5 FFBDRO Cc1ccc2c(c1)CC[C@H]2[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000563912211 518226276 /nfs/dbraw/zinc/22/62/76/518226276.db2.gz RSIJKWVENSGLMB-GOSISDBHSA-N 1 0 360.435 2.954 20 5 FFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)c1 ZINC000572511384 518226650 /nfs/dbraw/zinc/22/66/50/518226650.db2.gz WFKLUDFBJNZMRM-NSHDSACASA-N 1 0 358.423 2.780 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2CC[C@@H](c3cccc(Cl)c3)C2)c1 ZINC000563952753 518244601 /nfs/dbraw/zinc/24/46/01/518244601.db2.gz RZVLLMYAXSQCIX-UKPHBRMFSA-N 1 0 364.833 2.732 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[N@@H+](C)C2(CCCCC2)C1 ZINC000569739764 518266058 /nfs/dbraw/zinc/26/60/58/518266058.db2.gz QJRWFWPTMQHVTN-UHFFFAOYSA-N 1 0 360.458 2.792 20 5 FFBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000584343301 518292614 /nfs/dbraw/zinc/29/26/14/518292614.db2.gz JXVLRGVKXBUUNZ-OAHLLOKOSA-N 1 0 372.473 2.742 20 5 FFBDRO [NH3+]CCC1CCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000569860114 518326690 /nfs/dbraw/zinc/32/66/90/518326690.db2.gz OOYQXZXSKFCIFL-UHFFFAOYSA-N 1 0 360.439 2.919 20 5 FFBDRO Cc1csc(Sc2ccc(C(=O)N[C@H](C)[C@@H](C)[NH3+])cc2[N+](=O)[O-])n1 ZINC000584409453 518327299 /nfs/dbraw/zinc/32/72/99/518327299.db2.gz CXTWDGBEFZHFJP-NXEZZACHSA-N 1 0 366.468 2.976 20 5 FFBDRO CC[C@@H]1CN(C)CCN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000572872380 518401281 /nfs/dbraw/zinc/40/12/81/518401281.db2.gz WCEGNYPLHFVHCG-SNVBAGLBSA-N 1 0 356.220 2.524 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2CC[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000576100808 518428429 /nfs/dbraw/zinc/42/84/29/518428429.db2.gz FCKBMRPMJQLSMG-JLJPHGGASA-N 1 0 364.833 2.732 20 5 FFBDRO CC(C)Oc1nc(NC2CC[NH+](Cc3cccnc3)CC2)ccc1[N+](=O)[O-] ZINC000567249693 518431189 /nfs/dbraw/zinc/43/11/89/518431189.db2.gz PIVDVGZGXNVNQZ-UHFFFAOYSA-N 1 0 371.441 2.670 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(C[NH2+][C@@H]2CCCC[C@@H]2N2CCOCC2)c(F)c1 ZINC000584770937 518470131 /nfs/dbraw/zinc/47/01/31/518470131.db2.gz MUCRLUFRDFVLLO-SJORKVTESA-N 1 0 355.385 2.606 20 5 FFBDRO CCn1c(C)nc([N+](=O)[O-])c1NCC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000576186539 518470168 /nfs/dbraw/zinc/47/01/68/518470168.db2.gz HBIRTUTXHOPUCY-UHFFFAOYSA-N 1 0 365.478 2.955 20 5 FFBDRO NC(=O)[C@@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccc(F)cc1 ZINC000570198174 518489713 /nfs/dbraw/zinc/48/97/13/518489713.db2.gz CKVNGKWSDJHVBQ-KRWDZBQOSA-N 1 0 356.357 2.574 20 5 FFBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])C[C@H]21 ZINC000573083533 518499851 /nfs/dbraw/zinc/49/98/51/518499851.db2.gz YNNTVLMLVXLMGP-ZWKOPEQDSA-N 1 0 357.332 2.813 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+][C@@H]2CCCC23CCCC3)cc1 ZINC000567413609 518510118 /nfs/dbraw/zinc/51/01/18/518510118.db2.gz QVKOCEXAHUYLQR-MRXNPFEDSA-N 1 0 367.471 2.576 20 5 FFBDRO COc1ccc(-c2ccc(CN3CC[C@@H]4C[NH2+]C[C@@H]4C3)o2)c([N+](=O)[O-])c1 ZINC000582002899 518542352 /nfs/dbraw/zinc/54/23/52/518542352.db2.gz KPNDBACQNHVPJB-ZIAGYGMSSA-N 1 0 357.410 2.905 20 5 FFBDRO COC(=O)c1cc(C)nc(N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000579154212 518546310 /nfs/dbraw/zinc/54/63/10/518546310.db2.gz XLVSUTXSHGAQOS-SGMGOOAPSA-N 1 0 364.446 2.863 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CC2(c3cccc(F)c3)CC2)c1 ZINC000576389812 518568651 /nfs/dbraw/zinc/56/86/51/518568651.db2.gz DQCSEOLUJBQZEH-QGZVFWFLSA-N 1 0 360.385 2.795 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000567541547 518575093 /nfs/dbraw/zinc/57/50/93/518575093.db2.gz FDDPGRFOINMXNQ-NVXWUHKLSA-N 1 0 360.385 2.963 20 5 FFBDRO C[N@@H+]1CCO[C@H]2CCN(c3ccc([N+](=O)[O-])c(-c4ccc(F)cc4)n3)C[C@@H]21 ZINC000585781919 518595296 /nfs/dbraw/zinc/59/52/96/518595296.db2.gz CXXAPYLQXGSABT-IRXDYDNUSA-N 1 0 372.400 2.705 20 5 FFBDRO CSCc1ccc(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000570447064 518611426 /nfs/dbraw/zinc/61/14/26/518611426.db2.gz UKNPZYFVGUCVOK-INIZCTEOSA-N 1 0 362.451 2.987 20 5 FFBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]CC1(c3ccccn3)CCC1)OCCO2 ZINC000586783038 518641632 /nfs/dbraw/zinc/64/16/32/518641632.db2.gz MIZJSAYTLQJCLT-UHFFFAOYSA-N 1 0 355.394 2.973 20 5 FFBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000567672732 518645846 /nfs/dbraw/zinc/64/58/46/518645846.db2.gz HJQPHMZUWCBMIG-JRPNMDOOSA-N 1 0 360.439 2.835 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2[C@H]3CCc4ccccc4[C@@H]23)cc1 ZINC000567688151 518654835 /nfs/dbraw/zinc/65/48/35/518654835.db2.gz JVDOJNNWWJCXDK-IPMKNSEASA-N 1 0 372.446 2.687 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@@H]2CCCC(F)(F)C2)cc1 ZINC000579464876 518693501 /nfs/dbraw/zinc/69/35/01/518693501.db2.gz YGYJPVCXGRDFMA-GFCCVEGCSA-N 1 0 362.398 2.784 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NCc1ccc(C(=O)N2CCN(C)CC2)cc1 ZINC000573497904 518694916 /nfs/dbraw/zinc/69/49/16/518694916.db2.gz KQIVZPRKTPRERH-UHFFFAOYSA-N 1 0 368.437 2.903 20 5 FFBDRO [NH3+]C[C@H]1CC[C@H](Cn2cnc3c(Cl)cc([N+](=O)[O-])cc3c2=O)CC1 ZINC000567810228 518724769 /nfs/dbraw/zinc/72/47/69/518724769.db2.gz PNDVSVWKADLPRI-XYPYZODXSA-N 1 0 350.806 2.723 20 5 FFBDRO C[C@H]1C[C@H](NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)CC[NH2+]1 ZINC000582485749 518778102 /nfs/dbraw/zinc/77/81/02/518778102.db2.gz GPICAODXZSHCNP-GXFFZTMASA-N 1 0 371.387 2.830 20 5 FFBDRO CCn1c(C)nc([N+](=O)[O-])c1N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000579753556 518836852 /nfs/dbraw/zinc/83/68/52/518836852.db2.gz DDSWHIBMDQUOTD-UHFFFAOYSA-N 1 0 367.400 2.966 20 5 FFBDRO C[C@@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])C(=O)NCCc1ccccc1 ZINC000570942873 518855003 /nfs/dbraw/zinc/85/50/03/518855003.db2.gz WKRLLDHMNZJUCC-KDOFPFPSSA-N 1 0 353.422 2.919 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N[C@H](CC[NH3+])C(F)F)cc2[N+](=O)[O-])CC1 ZINC000576989947 518863085 /nfs/dbraw/zinc/86/30/85/518863085.db2.gz LTFNOZDDIZXHBX-CYBMUJFWSA-N 1 0 370.400 2.543 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC000582692920 518875212 /nfs/dbraw/zinc/87/52/12/518875212.db2.gz JBKQSPHPUVMBEI-TZIWHRDSSA-N 1 0 369.465 2.876 20 5 FFBDRO CCCC[N@H+](C)C[C@@H](C)NS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000571007615 518881446 /nfs/dbraw/zinc/88/14/46/518881446.db2.gz SITYXXVWXYVNKO-CQSZACIVSA-N 1 0 357.476 2.610 20 5 FFBDRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3ccc(Cl)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000588978434 518887689 /nfs/dbraw/zinc/88/76/89/518887689.db2.gz GNYLDTUHJDOUSI-NUEKZKHPSA-N 1 0 351.834 2.985 20 5 FFBDRO CNC(=O)c1ccc(C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1 ZINC000568133105 518890154 /nfs/dbraw/zinc/89/01/54/518890154.db2.gz KHTSIBILLWCWGB-UHFFFAOYSA-N 1 0 352.394 2.768 20 5 FFBDRO O=[N+]([O-])c1cc(N2CC[NH+](C[C@H]3CCOC3)CC2)ccc1C(F)(F)F ZINC000589113804 518919354 /nfs/dbraw/zinc/91/93/54/518919354.db2.gz SUVRERISPGZPFL-GFCCVEGCSA-N 1 0 359.348 2.772 20 5 FFBDRO COCC[NH2+]C1CCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 ZINC000582792582 518924756 /nfs/dbraw/zinc/92/47/56/518924756.db2.gz PIPNTLGERZGMIA-UHFFFAOYSA-N 1 0 363.458 2.733 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@@H]1CCCN(c2ccccc2)C1 ZINC000579943801 518931140 /nfs/dbraw/zinc/93/11/40/518931140.db2.gz SUYOSBFYTBUKGZ-AEFFLSMTSA-N 1 0 371.437 2.593 20 5 FFBDRO CN1CC[C@H]([NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1 ZINC000589267641 518968337 /nfs/dbraw/zinc/96/83/37/518968337.db2.gz CMDHYZBUXSCCDU-ICSRJNTNSA-N 1 0 368.437 2.958 20 5 FFBDRO O=C(NCCNc1ccccc1[N+](=O)[O-])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000582922267 518987890 /nfs/dbraw/zinc/98/78/90/518987890.db2.gz PTBRBFWJGVAUPP-QGZVFWFLSA-N 1 0 368.437 2.645 20 5 FFBDRO COc1ccc(NC(=O)CCN2CCC(=O)CC23CCC3)c([N+](=O)[O-])c1 ZINC000580089850 519002752 /nfs/dbraw/zinc/00/27/52/519002752.db2.gz BDLQMPGFBRRUMM-UHFFFAOYSA-N 1 0 361.398 2.520 20 5 FFBDRO CN(C)c1ccccc1CN(C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000583107981 519079754 /nfs/dbraw/zinc/07/97/54/519079754.db2.gz OOXPTUYIROKKSG-UHFFFAOYSA-N 1 0 368.437 2.682 20 5 FFBDRO CN(c1ccccc1)c1ccc(C[NH2+]C2COCCOC2)cc1[N+](=O)[O-] ZINC000589938580 519109970 /nfs/dbraw/zinc/10/99/70/519109970.db2.gz XGWWLBLSWOCIIA-UHFFFAOYSA-N 1 0 357.410 2.868 20 5 FFBDRO CCC[C@H]1C[NH2+]CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000565775756 519127161 /nfs/dbraw/zinc/12/71/61/519127161.db2.gz YCOQHUWKJVMXHR-ZDUSSCGKSA-N 1 0 370.247 2.500 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@H]2CCC[C@H]2C2CC2)cc1 ZINC000568619392 519131853 /nfs/dbraw/zinc/13/18/53/519131853.db2.gz BPKFQEJHBKKYBR-PBHICJAKSA-N 1 0 352.456 2.784 20 5 FFBDRO C[C@H]1C[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC2(CCC2)O1 ZINC000583261120 519159502 /nfs/dbraw/zinc/15/95/02/519159502.db2.gz FVYWZQUWYSIZRY-ZDUSSCGKSA-N 1 0 361.398 2.536 20 5 FFBDRO CCOC(=O)c1cc(C(=O)Nc2cccc3c2CC[NH2+]C3)cc([N+](=O)[O-])c1 ZINC000580443457 519179555 /nfs/dbraw/zinc/17/95/55/519179555.db2.gz VXDDVAYKSSAVDX-UHFFFAOYSA-N 1 0 369.377 2.670 20 5 FFBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000590404135 519217774 /nfs/dbraw/zinc/21/77/74/519217774.db2.gz UTVVJKSDZXOHBI-BFYDXBDKSA-N 1 0 374.485 2.996 20 5 FFBDRO CS[C@@H]1CN(c2ccc([N+](=O)[O-])c(OC(C)C)n2)C[C@H]1[NH+]1CCCC1 ZINC000583392192 519225325 /nfs/dbraw/zinc/22/53/25/519225325.db2.gz XZIUYTUBTKWTSY-HUUCEWRRSA-N 1 0 366.487 2.793 20 5 FFBDRO C[C@@H]1C[C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H](c2ccccc2)C1 ZINC000580544669 519231988 /nfs/dbraw/zinc/23/19/88/519231988.db2.gz WNJRURYRIDSGNK-PCODUJHASA-N 1 0 358.442 2.714 20 5 FFBDRO Cc1ccccc1[C@@H]([NH3+])C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000568878262 519265450 /nfs/dbraw/zinc/26/54/50/519265450.db2.gz PQLSGYHYZKZQMN-LJQANCHMSA-N 1 0 369.421 2.973 20 5 FFBDRO C[N@H+](CCCO)C1CCN(c2ccc(C(F)(F)F)c([N+](=O)[O-])c2)CC1 ZINC000590586537 519275791 /nfs/dbraw/zinc/27/57/91/519275791.db2.gz ZIFIOHDPOHSRBD-UHFFFAOYSA-N 1 0 361.364 2.897 20 5 FFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000568928534 519287661 /nfs/dbraw/zinc/28/76/61/519287661.db2.gz UQHRJJHQDAUIGA-NEPJUHHUSA-N 1 0 353.369 2.501 20 5 FFBDRO C[C@@H]1C[C@@H](C)N(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C[C@@H]1C[NH3+] ZINC000574758374 519317070 /nfs/dbraw/zinc/31/70/70/519317070.db2.gz XGNAANILUZFVPK-INMHGKMJSA-N 1 0 374.485 2.643 20 5 FFBDRO Cc1c(NC(=O)N2CCC[C@@H](C[NH3+])C2)cc(Br)cc1[N+](=O)[O-] ZINC000583612811 519339666 /nfs/dbraw/zinc/33/96/66/519339666.db2.gz SYFYODAWLSUUNX-JTQLQIEISA-N 1 0 371.235 2.868 20 5 FFBDRO CC[NH+]1CCN([C@H](C)CN[C@@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)CC1 ZINC000574815849 519346834 /nfs/dbraw/zinc/34/68/34/519346834.db2.gz JCSXSFSDMNGZAV-CJNGLKHVSA-N 1 0 374.407 2.814 20 5 FFBDRO C[C@@H]([NH3+])[C@@H](C)NC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000566213930 519373722 /nfs/dbraw/zinc/37/37/22/519373722.db2.gz BOFBCRMZHJWNFI-HTQZYQBOSA-N 1 0 372.212 2.553 20 5 FFBDRO Cc1cccnc1C(C)(C)C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000569096941 519375956 /nfs/dbraw/zinc/37/59/56/519375956.db2.gz WEBBRJMEGRUWSW-MRXNPFEDSA-N 1 0 359.426 2.605 20 5 FFBDRO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000583761999 519421536 /nfs/dbraw/zinc/42/15/36/519421536.db2.gz ICQZZDLWIJYEDH-AWEZNQCLSA-N 1 0 353.419 2.890 20 5 FFBDRO C[N@@H+]1CCN(CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1Cc1ccccc1 ZINC000578149354 519444572 /nfs/dbraw/zinc/44/45/72/519444572.db2.gz RUGYOVPDLLMFNE-IBGZPJMESA-N 1 0 355.438 2.832 20 5 FFBDRO COc1cc(C[NH2+]CCc2cc(C)no2)c([N+](=O)[O-])cc1OCC(F)F ZINC000581039080 519489976 /nfs/dbraw/zinc/48/99/76/519489976.db2.gz LYCNKBKINGKOMC-UHFFFAOYSA-N 1 0 371.340 2.876 20 5 FFBDRO Cc1cccc(OC[C@H](O)C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)c1 ZINC000575117450 519510375 /nfs/dbraw/zinc/51/03/75/519510375.db2.gz ORBOWRFEGVTTIR-QGZVFWFLSA-N 1 0 369.421 2.957 20 5 FFBDRO CCC[N@H+](CC)C[C@@H](C)NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000566532624 519535275 /nfs/dbraw/zinc/53/52/75/519535275.db2.gz VVDYVERQIJIRTI-LLVKDONJSA-N 1 0 363.867 2.647 20 5 FFBDRO Cc1cn2c(n1)[C@H](C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)CCC2 ZINC000575206887 519554435 /nfs/dbraw/zinc/55/44/35/519554435.db2.gz IZWCHFSOKIWCGK-HRCADAONSA-N 1 0 358.446 2.947 20 5 FFBDRO CC[C@@H]1CN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000591306377 519582990 /nfs/dbraw/zinc/58/29/90/519582990.db2.gz BDHDAGHIKHRVJH-RNCFNFMXSA-N 1 0 371.235 2.948 20 5 FFBDRO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000591306422 519583059 /nfs/dbraw/zinc/58/30/59/519583059.db2.gz WBLVEMMZBQJRLL-RNCFNFMXSA-N 1 0 369.219 2.573 20 5 FFBDRO CCC[N@@H+]1CCC[C@H]1CN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000581243434 519594988 /nfs/dbraw/zinc/59/49/88/519594988.db2.gz BOZYFIASBSZCRK-ROUUACIJSA-N 1 0 357.458 2.882 20 5 FFBDRO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)NC[C@@H]1CCCC[NH2+]1 ZINC000591357237 519607616 /nfs/dbraw/zinc/60/76/16/519607616.db2.gz SLCWOPLRAQTLFN-LBPRGKRZSA-N 1 0 360.336 2.555 20 5 FFBDRO CCc1cc(N2CC[C@H]3CC[NH2+][C@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000591439611 519625280 /nfs/dbraw/zinc/62/52/80/519625280.db2.gz XGUDYQBPIIUZHJ-DYVFJYSZSA-N 1 0 353.426 2.802 20 5 FFBDRO CCC[NH+]1CCC(NC(=O)c2cc(OCC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000591446830 519626841 /nfs/dbraw/zinc/62/68/41/519626841.db2.gz HHVYEPMHYIWSQS-UHFFFAOYSA-N 1 0 365.430 2.606 20 5 FFBDRO O=[N+]([O-])c1cc(I)ccc1N1CCC2(CC[NH2+]2)CC1 ZINC000591560499 519952325 /nfs/dbraw/zinc/95/23/25/519952325.db2.gz FOSVDBOHMUQPLP-UHFFFAOYSA-N 1 0 373.194 2.532 20 5 FFBDRO CC(C)(C(=O)NCCOc1ccc([N+](=O)[O-])cc1)[C@H]([NH3+])c1ccccc1 ZINC000591575884 519955719 /nfs/dbraw/zinc/95/57/19/519955719.db2.gz GMKHOMNSKCJVMB-QGZVFWFLSA-N 1 0 357.410 2.816 20 5 FFBDRO O=[N+]([O-])c1cccc(OCC[NH2+][C@@H](c2ccncc2)C2(CO)CCC2)c1 ZINC000602902355 519960650 /nfs/dbraw/zinc/96/06/50/519960650.db2.gz LGNYWDGRGKZHNU-SFHVURJKSA-N 1 0 357.410 2.862 20 5 FFBDRO Cc1ccc(C)c(S(=O)(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000594484095 519992014 /nfs/dbraw/zinc/99/20/14/519992014.db2.gz SAJZTWDXWISUML-CABCVRRESA-N 1 0 367.471 2.507 20 5 FFBDRO Cn1c(CC[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)nc2ccccc21 ZINC000602963044 519994202 /nfs/dbraw/zinc/99/42/02/519994202.db2.gz SDPMYYGOSVCCCA-IBGZPJMESA-N 1 0 354.410 2.521 20 5 FFBDRO COc1cncc(/C=C\CC[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)c1 ZINC000602963322 519997332 /nfs/dbraw/zinc/99/73/32/519997332.db2.gz VICQMDZRDWPCEA-ORUDLHBZSA-N 1 0 357.410 2.899 20 5 FFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCS(=O)(=O)c1ccc(F)cc1 ZINC000594500524 520003858 /nfs/dbraw/zinc/00/38/58/520003858.db2.gz WDVRLTZYCAJUSS-INIZCTEOSA-N 1 0 364.398 2.785 20 5 FFBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]Cc1nc([C@@H]2CCCO2)n[nH]1)C1CC1 ZINC000594513912 520010107 /nfs/dbraw/zinc/01/01/07/520010107.db2.gz UUKNJLORFHAFNU-HOCLYGCPSA-N 1 0 357.414 2.675 20 5 FFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H](C)C(=O)OC(C)(C)C ZINC000594514324 520010802 /nfs/dbraw/zinc/01/08/02/520010802.db2.gz NVEKWKOMPFXEKC-STQMWFEESA-N 1 0 365.430 2.879 20 5 FFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCCN2CCCC[C@@H]12 ZINC000594519480 520011375 /nfs/dbraw/zinc/01/13/75/520011375.db2.gz LCTQOTRKDXYKMO-JLSDUUJJSA-N 1 0 360.458 2.918 20 5 FFBDRO Cn1nnc2c1CC[C@H]([NH2+]Cc1ccc(-c3ccccc3[N+](=O)[O-])o1)C2 ZINC000594515563 520012343 /nfs/dbraw/zinc/01/23/43/520012343.db2.gz NMMMUVAFUBBWSD-LBPRGKRZSA-N 1 0 353.382 2.630 20 5 FFBDRO Cn1nnc2c1CC[C@H]([NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])C2 ZINC000594523554 520014169 /nfs/dbraw/zinc/01/41/69/520014169.db2.gz YVAQTWMGWVMHEU-KBMXLJTQSA-N 1 0 355.442 2.582 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CCc1ccc(F)cc1Cl ZINC000591740929 520017822 /nfs/dbraw/zinc/01/78/22/520017822.db2.gz JICXXKNSVHXZEK-AWEZNQCLSA-N 1 0 368.792 2.959 20 5 FFBDRO CCOc1ccc([C@@H]2C[C@H]2[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000591764661 520028046 /nfs/dbraw/zinc/02/80/46/520028046.db2.gz JEVGZXVUWKLXRL-RYQLBKOJSA-N 1 0 372.421 2.879 20 5 FFBDRO CN(CC[NH+]1CCCCC1)C(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000600080802 520033963 /nfs/dbraw/zinc/03/39/63/520033963.db2.gz HREVWQCGPFYJNG-UHFFFAOYSA-N 1 0 370.247 2.915 20 5 FFBDRO O=[N+]([O-])c1cc2c(nc1N1CCC[N@H+](C[C@H]3CCCO3)CC1)CCCC2 ZINC000591895810 520072597 /nfs/dbraw/zinc/07/25/97/520072597.db2.gz CLZUICORNRYWNN-MRXNPFEDSA-N 1 0 360.458 2.560 20 5 FFBDRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000597531361 520085966 /nfs/dbraw/zinc/08/59/66/520085966.db2.gz DGXLTQWGVPAOFV-CHWSQXEVSA-N 1 0 356.220 2.570 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CCc2ccnc3ccccc23)c1 ZINC000594716242 520108695 /nfs/dbraw/zinc/10/86/95/520108695.db2.gz MZBHCRHYYODDJV-QGZVFWFLSA-N 1 0 367.405 2.715 20 5 FFBDRO CCO[C@@]1(C)C[C@H]1[NH2+]Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000600197170 520117064 /nfs/dbraw/zinc/11/70/64/520117064.db2.gz KLHONLGSYVTHGX-ZBFHGGJFSA-N 1 0 360.357 2.904 20 5 FFBDRO Cc1ccc(CC2C[NH+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000594732006 520121593 /nfs/dbraw/zinc/12/15/93/520121593.db2.gz JDZWVSUNWNKOBR-IBGZPJMESA-N 1 0 356.422 2.817 20 5 FFBDRO CCn1ccc(C[N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)c1 ZINC000616786210 520139255 /nfs/dbraw/zinc/13/92/55/520139255.db2.gz OZGQQXJJUSGXAQ-UHFFFAOYSA-N 1 0 360.414 2.885 20 5 FFBDRO COc1ccc(CC(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)cc1[N+](=O)[O-] ZINC000600229423 520141257 /nfs/dbraw/zinc/14/12/57/520141257.db2.gz SEPYCHRYFRJCBM-INIZCTEOSA-N 1 0 361.442 2.669 20 5 FFBDRO CCC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2ccc(CC)c([N+](=O)[O-])c2)C1 ZINC000592039536 520149211 /nfs/dbraw/zinc/14/92/11/520149211.db2.gz YXQAEQGGGQLTPS-CQSZACIVSA-N 1 0 369.487 2.510 20 5 FFBDRO Cc1c(Cn2cc(C[C@H]([NH3+])Cc3ccccc3)nn2)cccc1[N+](=O)[O-] ZINC000603195660 520150654 /nfs/dbraw/zinc/15/06/54/520150654.db2.gz AFUYTVNRSNHJMA-QGZVFWFLSA-N 1 0 351.410 2.656 20 5 FFBDRO O=C([C@@H]1CCc2nc[nH]c2C1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000597723651 520198043 /nfs/dbraw/zinc/19/80/43/520198043.db2.gz MDJIZNAOWZUZBK-HUUCEWRRSA-N 1 0 354.410 2.829 20 5 FFBDRO Cc1c(NC(=O)CC[N@@H+]2CCC[C@H](n3ccnc3)C2)cccc1[N+](=O)[O-] ZINC000609157386 520213973 /nfs/dbraw/zinc/21/39/73/520213973.db2.gz HSWIFQRRJYJSOE-HNNXBMFYSA-N 1 0 357.414 2.765 20 5 FFBDRO Cn1cc(CN[C@@H]2CC[N@@H+](C(C)(C)C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000594956287 520228646 /nfs/dbraw/zinc/22/86/46/520228646.db2.gz IYIQBQXPMGVLPC-MRXNPFEDSA-N 1 0 357.458 2.958 20 5 FFBDRO C[NH+](C)CCOc1ccc(CCNC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000609199407 520229989 /nfs/dbraw/zinc/22/99/89/520229989.db2.gz GLJTYNMPYLSVMB-UHFFFAOYSA-N 1 0 372.425 2.899 20 5 FFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000609203666 520232591 /nfs/dbraw/zinc/23/25/91/520232591.db2.gz MRKVWJYUJCYOQA-SFHVURJKSA-N 1 0 363.458 2.679 20 5 FFBDRO COCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000609269515 520248603 /nfs/dbraw/zinc/24/86/03/520248603.db2.gz SDLKWNUJLZLZAL-HNNXBMFYSA-N 1 0 363.458 2.733 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000595003780 520253265 /nfs/dbraw/zinc/25/32/65/520253265.db2.gz JZUDNWCXPKGJLX-HOCLYGCPSA-N 1 0 351.447 2.611 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCC(=O)NCc1ccccc1 ZINC000595015480 520257110 /nfs/dbraw/zinc/25/71/10/520257110.db2.gz OADXCOAVQBQMOQ-CQSZACIVSA-N 1 0 357.410 2.961 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCC[C@@H]2CN(C(C)=O)C[C@H]21 ZINC000595046901 520268237 /nfs/dbraw/zinc/26/82/37/520268237.db2.gz CXHFOYVBTDUUCW-WPPQDWHVSA-N 1 0 361.442 2.901 20 5 FFBDRO CC(C)(C(=O)N1CCN(c2cc[nH+]cc2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000613012910 520269586 /nfs/dbraw/zinc/26/95/86/520269586.db2.gz VRHKJFXWFQQWAZ-UHFFFAOYSA-N 1 0 372.400 2.755 20 5 FFBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000609310299 520270576 /nfs/dbraw/zinc/27/05/76/520270576.db2.gz ZXNZQVNXLSZYJZ-INIZCTEOSA-N 1 0 360.458 2.920 20 5 FFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]Cc2cnc(C(F)(F)F)nc2)n1 ZINC000595058533 520272402 /nfs/dbraw/zinc/27/24/02/520272402.db2.gz CODOYIOPPXSZND-NEPJUHHUSA-N 1 0 370.335 2.874 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000597859746 520285523 /nfs/dbraw/zinc/28/55/23/520285523.db2.gz GSKKZWASDOBYGT-LBPRGKRZSA-N 1 0 372.425 2.699 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000597859849 520286041 /nfs/dbraw/zinc/28/60/41/520286041.db2.gz ZHVDPBYXTQVAIT-LLVKDONJSA-N 1 0 357.357 2.799 20 5 FFBDRO O=c1ccc2c([nH]1)CCC[C@H]2[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000609359331 520295054 /nfs/dbraw/zinc/29/50/54/520295054.db2.gz NGHKWEYLNUVZIG-CYBMUJFWSA-N 1 0 357.366 2.634 20 5 FFBDRO CNc1ccc(C(=O)Nc2cc(C[NH+](C)C)ccc2OC)cc1[N+](=O)[O-] ZINC000603590637 520317725 /nfs/dbraw/zinc/31/77/25/520317725.db2.gz HFPWKJWHHHEQCF-UHFFFAOYSA-N 1 0 358.398 2.959 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000597924395 520326839 /nfs/dbraw/zinc/32/68/39/520326839.db2.gz QSIGJBBKHSKHCK-CYBMUJFWSA-N 1 0 372.425 2.511 20 5 FFBDRO CCN(C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CC[N@H+](C)C1 ZINC000597945599 520344286 /nfs/dbraw/zinc/34/42/86/520344286.db2.gz JLGTWAUTTLSRTR-CQSZACIVSA-N 1 0 360.439 2.885 20 5 FFBDRO Cc1nn(Cc2ccc(-c3nc([C@@H]4CCC[NH2+]4)no3)cc2)c(C)c1[N+](=O)[O-] ZINC000592356625 520346975 /nfs/dbraw/zinc/34/69/75/520346975.db2.gz BIHSZJMDBBMKSR-HNNXBMFYSA-N 1 0 368.397 2.931 20 5 FFBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000595226649 520360751 /nfs/dbraw/zinc/36/07/51/520360751.db2.gz XOGYRJLOEBKJPC-IFXJQAMLSA-N 1 0 370.453 2.999 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N3CC[C@@H](C)[C@@H]([NH3+])C3)cc2[N+](=O)[O-])CC1 ZINC000595228842 520362073 /nfs/dbraw/zinc/36/20/73/520362073.db2.gz ORRFJMJFFKIOPI-ZBFHGGJFSA-N 1 0 360.458 2.640 20 5 FFBDRO O=C(NCc1ccccc1[N+](=O)[O-])Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000595233771 520365230 /nfs/dbraw/zinc/36/52/30/520365230.db2.gz BCVMDRMGFHMDTF-KRWDZBQOSA-N 1 0 356.382 2.577 20 5 FFBDRO C[C@H](CCNC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1)[NH+](C)C ZINC000597995429 520365475 /nfs/dbraw/zinc/36/54/75/520365475.db2.gz GFHBVRLBKFOAEN-OAHLLOKOSA-N 1 0 362.474 2.901 20 5 FFBDRO Cc1nccc([C@@H]2CCC[N@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)n1 ZINC000603834060 520370253 /nfs/dbraw/zinc/37/02/53/520370253.db2.gz GDTLHDJRDNDHLH-OAHLLOKOSA-N 1 0 369.425 2.901 20 5 FFBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000613180809 520370638 /nfs/dbraw/zinc/37/06/38/520370638.db2.gz BXNQGFJMDGBDLC-HNNXBMFYSA-N 1 0 359.430 2.560 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000595269287 520379806 /nfs/dbraw/zinc/37/98/06/520379806.db2.gz MMUDBTCPTNRKKF-NVXWUHKLSA-N 1 0 373.384 2.618 20 5 FFBDRO CC(C)[C@H]([NH3+])CCNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000595273777 520381531 /nfs/dbraw/zinc/38/15/31/520381531.db2.gz IUDAQKFHDBKUGP-CYBMUJFWSA-N 1 0 362.352 2.786 20 5 FFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@]2(CO)CCCN(Cc3ccccc3)C2)cc1 ZINC000609620416 520383597 /nfs/dbraw/zinc/38/35/97/520383597.db2.gz DZRUDBYKQNLRTH-FQEVSTJZSA-N 1 0 355.438 2.712 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2noc(CN3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)n2)c1 ZINC000592478694 520407269 /nfs/dbraw/zinc/40/72/69/520407269.db2.gz IGEFJCQRQNEVED-ZBFHGGJFSA-N 1 0 357.414 2.609 20 5 FFBDRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000609696254 520409561 /nfs/dbraw/zinc/40/95/61/520409561.db2.gz VFBIIKBSSFRZFX-AWEZNQCLSA-N 1 0 356.426 2.889 20 5 FFBDRO CC(=O)c1nc(CC[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)[nH]c1C ZINC000595331282 520413716 /nfs/dbraw/zinc/41/37/16/520413716.db2.gz ULTWRPZIAUXCCA-UHFFFAOYSA-N 1 0 372.425 2.915 20 5 FFBDRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])[nH]1)c1cccc(OC)c1 ZINC000604075315 520443254 /nfs/dbraw/zinc/44/32/54/520443254.db2.gz QDMDYJNHYDVUTC-INIZCTEOSA-N 1 0 360.414 2.744 20 5 FFBDRO COc1ccc(NC(=O)C2(c3ccccc3)CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000592558203 520456124 /nfs/dbraw/zinc/45/61/24/520456124.db2.gz PJEQTGSBIQCKFF-UHFFFAOYSA-N 1 0 355.394 2.863 20 5 FFBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2COCCN2)ccc1Oc1ccc(F)cc1 ZINC000600773382 520461560 /nfs/dbraw/zinc/46/15/60/520461560.db2.gz HJLAXOYMDBJNPQ-OAHLLOKOSA-N 1 0 361.373 2.604 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000604181603 520472742 /nfs/dbraw/zinc/47/27/42/520472742.db2.gz QCLIABISKXYTIK-MRXNPFEDSA-N 1 0 361.373 2.775 20 5 FFBDRO CN(Cc1ccc(F)cc1[N+](=O)[O-])C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000595448403 520477839 /nfs/dbraw/zinc/47/78/39/520477839.db2.gz KBBFLSIEVXGRGF-FQEVSTJZSA-N 1 0 373.428 2.803 20 5 FFBDRO CC[NH+](CC)Cc1ccc(C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)o1 ZINC000604267047 520503212 /nfs/dbraw/zinc/50/32/12/520503212.db2.gz JLBPJFYAMJFNGD-UHFFFAOYSA-N 1 0 361.398 2.968 20 5 FFBDRO C[N@@H+]1CC[C@@]2(C1)CCCN(Cc1nc(-c3ccc([N+](=O)[O-])cc3)no1)C2 ZINC000595505413 520514839 /nfs/dbraw/zinc/51/48/39/520514839.db2.gz SZOKMBIFJHTBRJ-GOSISDBHSA-N 1 0 357.414 2.563 20 5 FFBDRO C[C@@H]1CC[N@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000610065067 520521989 /nfs/dbraw/zinc/52/19/89/520521989.db2.gz GYRPIAWTIGGAQI-SNVBAGLBSA-N 1 0 356.220 2.524 20 5 FFBDRO CC(C)[NH2+][C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000610090707 520534837 /nfs/dbraw/zinc/53/48/37/520534837.db2.gz MLCYVDBTQKDAJL-LLVKDONJSA-N 1 0 370.247 2.960 20 5 FFBDRO Cc1ccc(C[NH2+][C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)cc1[N+](=O)[O-] ZINC000610090253 520535358 /nfs/dbraw/zinc/53/53/58/520535358.db2.gz YSFCZMQGCPYWAQ-WOJBJXKFSA-N 1 0 369.465 2.876 20 5 FFBDRO O=[N+]([O-])c1cc(F)ccc1C[NH2+][C@H](C1CCOCC1)C1(CO)CCC1 ZINC000595554092 520548821 /nfs/dbraw/zinc/54/88/21/520548821.db2.gz RQLWQPYVCHCHLT-QGZVFWFLSA-N 1 0 352.406 2.781 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])C[C@H]1C ZINC000610135244 520553576 /nfs/dbraw/zinc/55/35/76/520553576.db2.gz NLQKOJUTGKOLOF-HUUCEWRRSA-N 1 0 369.487 2.705 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000604446361 520565132 /nfs/dbraw/zinc/56/51/32/520565132.db2.gz ZAWOIBHAQGLHCH-FPMFFAJLSA-N 1 0 367.833 2.759 20 5 FFBDRO Cc1cc(NC[C@H]2CC[N@@H+](C3CC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000604508528 520583073 /nfs/dbraw/zinc/58/30/73/520583073.db2.gz HMKQSHPLOWIPJF-CQSZACIVSA-N 1 0 353.426 2.678 20 5 FFBDRO CCCN(C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)[C@@H]1CC[N@H+](C)C1 ZINC000592830326 520607187 /nfs/dbraw/zinc/60/71/87/520607187.db2.gz CVXXPZVDOBMGEI-QGZVFWFLSA-N 1 0 374.485 2.754 20 5 FFBDRO CCC[N@H+](C)CC(C)(C)NC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000598465942 520629874 /nfs/dbraw/zinc/62/98/74/520629874.db2.gz OTWDRLMUQCJNLZ-UHFFFAOYSA-N 1 0 359.430 2.631 20 5 FFBDRO CCC[N@H+](C)CC(C)(C)NC(=O)CCOc1cc(C)ccc1[N+](=O)[O-] ZINC000598466797 520629904 /nfs/dbraw/zinc/62/99/04/520629904.db2.gz VUZSYMVBOHPKEQ-UHFFFAOYSA-N 1 0 351.447 2.909 20 5 FFBDRO CC[NH+](CC)CC1CCN(c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)CC1 ZINC000601105223 520638251 /nfs/dbraw/zinc/63/82/51/520638251.db2.gz VUAYFUONGQGSLQ-UHFFFAOYSA-N 1 0 363.384 2.905 20 5 FFBDRO COc1ccc(OCC[N@@H+]2CCc3ccc(O)cc3CC2)c([N+](=O)[O-])c1 ZINC000610390304 520661505 /nfs/dbraw/zinc/66/15/05/520661505.db2.gz IITFWABVFBBLKO-UHFFFAOYSA-N 1 0 358.394 2.789 20 5 FFBDRO C[C@@](CO)([NH2+]Cc1ccc(O[C@@H]2CCOC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000601150414 520661950 /nfs/dbraw/zinc/66/19/50/520661950.db2.gz XCIZJERAYXOZNW-UXHICEINSA-N 1 0 372.421 2.760 20 5 FFBDRO CC[C@@H]1CN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000598530970 520683603 /nfs/dbraw/zinc/68/36/03/520683603.db2.gz BQFFFRNYJURQKA-WCQYABFASA-N 1 0 355.822 2.616 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H]2CCN(C)[C@H]2c2ccccc2)c1 ZINC000593031408 520695402 /nfs/dbraw/zinc/69/54/02/520695402.db2.gz VZWVNRARLRIRBC-MJGOQNOKSA-N 1 0 369.421 2.916 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@H]2CCN(C)[C@@H]2c2ccccc2)c1 ZINC000593031409 520695438 /nfs/dbraw/zinc/69/54/38/520695438.db2.gz VZWVNRARLRIRBC-PKOBYXMFSA-N 1 0 369.421 2.916 20 5 FFBDRO C[NH+](C)C1(CNC(=O)c2c(F)cccc2[N+](=O)[O-])Cc2ccccc2C1 ZINC000601227047 520698673 /nfs/dbraw/zinc/69/86/73/520698673.db2.gz QFFFAEVDXHGAIG-UHFFFAOYSA-N 1 0 357.385 2.563 20 5 FFBDRO COc1cc(C[N@@H+]2CCC[C@@H]2[C@H](C)O)c([N+](=O)[O-])cc1OCC(F)F ZINC000595767159 520710120 /nfs/dbraw/zinc/71/01/20/520710120.db2.gz VRZFMVMECJVGES-CMPLNLGQSA-N 1 0 360.357 2.593 20 5 FFBDRO CC[C@@H]1CO[C@@H](CC)C[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000593058105 520715667 /nfs/dbraw/zinc/71/56/67/520715667.db2.gz JIBYWNBKBGRJBM-HIFRSBDPSA-N 1 0 365.430 2.821 20 5 FFBDRO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)C1 ZINC000598603933 520737298 /nfs/dbraw/zinc/73/72/98/520737298.db2.gz IAYKBZPSKVEWKO-HNNXBMFYSA-N 1 0 369.487 2.564 20 5 FFBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593128356 520766777 /nfs/dbraw/zinc/76/67/77/520766777.db2.gz GWHKKUNERRLRSK-KBXCAEBGSA-N 1 0 371.412 2.913 20 5 FFBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593128358 520767720 /nfs/dbraw/zinc/76/77/20/520767720.db2.gz GWHKKUNERRLRSK-KSSFIOAISA-N 1 0 371.412 2.913 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N3C[C@@H]4CCC[C@]4([NH3+])C3)cc2[N+](=O)[O-])CC1 ZINC000598667123 520774859 /nfs/dbraw/zinc/77/48/59/520774859.db2.gz CSBNZTWXXNXROC-JXFKEZNVSA-N 1 0 372.469 2.785 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N3C[C@@H]4CCC[C@@]4([NH3+])C3)cc2[N+](=O)[O-])CC1 ZINC000598667124 520775234 /nfs/dbraw/zinc/77/52/34/520775234.db2.gz CSBNZTWXXNXROC-OXJNMPFZSA-N 1 0 372.469 2.785 20 5 FFBDRO CCCN(C)CC(C)(C)[NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000595874603 520782635 /nfs/dbraw/zinc/78/26/35/520782635.db2.gz VSDLGDKVRCIMSZ-UHFFFAOYSA-N 1 0 364.446 2.603 20 5 FFBDRO COc1ccccc1N1CC[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1=O ZINC000610682034 520795266 /nfs/dbraw/zinc/79/52/66/520795266.db2.gz DUFXNBPRYBOIBS-MRXNPFEDSA-N 1 0 355.394 2.541 20 5 FFBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000595912030 520816914 /nfs/dbraw/zinc/81/69/14/520816914.db2.gz XVOVWPAKIAHOAN-ZOCIIQOWSA-N 1 0 359.426 2.814 20 5 FFBDRO Cc1sc(C(=O)N2CC[C@@H](OCC[NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000610733463 520819844 /nfs/dbraw/zinc/81/98/44/520819844.db2.gz VURBHEXDYLPQDP-CQSZACIVSA-N 1 0 367.471 2.682 20 5 FFBDRO Cc1cc([N+](=O)[O-])nn1Cc1cccc(-c2nc([C@H]3CCC[NH2+]3)no2)c1 ZINC000593219119 520837030 /nfs/dbraw/zinc/83/70/30/520837030.db2.gz NCHXWXKJVVXAMW-CQSZACIVSA-N 1 0 354.370 2.623 20 5 FFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000595962335 520839272 /nfs/dbraw/zinc/83/92/72/520839272.db2.gz PIGVDAPCYKFGSF-OAHLLOKOSA-N 1 0 361.442 2.845 20 5 FFBDRO CCOc1ccc(C(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1[N+](=O)[O-] ZINC000595962403 520839517 /nfs/dbraw/zinc/83/95/17/520839517.db2.gz QVZSMJPSFYXRJD-MRXNPFEDSA-N 1 0 361.442 2.845 20 5 FFBDRO COc1cc(C[NH+](C)C)ccc1NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000601620252 520868400 /nfs/dbraw/zinc/86/84/00/520868400.db2.gz ILYYYNLCEPGQQN-UHFFFAOYSA-N 1 0 359.382 2.683 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]Cc1cnccc1C(F)(F)F ZINC000596069407 520892121 /nfs/dbraw/zinc/89/21/21/520892121.db2.gz GKGZCIVTLUPTKL-GFCCVEGCSA-N 1 0 371.315 2.538 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000593336209 520918641 /nfs/dbraw/zinc/91/86/41/520918641.db2.gz DUXQJPILEBUXTR-FQEVSTJZSA-N 1 0 369.421 2.998 20 5 FFBDRO NC(=O)c1cc(N2CCC[C@H](C[NH+]3CCCCCC3)C2)ccc1[N+](=O)[O-] ZINC000596112495 520920448 /nfs/dbraw/zinc/92/04/48/520920448.db2.gz QZDJSXXWWMREOK-OAHLLOKOSA-N 1 0 360.458 2.786 20 5 FFBDRO Cc1cc(N2CCC[C@@H]([NH2+]C/C=C\c3ccccc3[N+](=O)[O-])C2)n(C)n1 ZINC000618197919 520929707 /nfs/dbraw/zinc/92/97/07/520929707.db2.gz XUBMYHWSPBYRFD-CTEOGUNLSA-N 1 0 355.442 2.909 20 5 FFBDRO CCCc1n[nH]c(C(=O)N2CCC(CC)([NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC000601744035 520930360 /nfs/dbraw/zinc/93/03/60/520930360.db2.gz JPZILGXJZPDOPL-UHFFFAOYSA-N 1 0 363.462 2.751 20 5 FFBDRO COC(=O)c1c(Cl)c(N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000596137767 520935143 /nfs/dbraw/zinc/93/51/43/520935143.db2.gz WIOKWAQVWVFWCU-MNOVXSKESA-N 1 0 355.822 2.954 20 5 FFBDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596145624 520938146 /nfs/dbraw/zinc/93/81/46/520938146.db2.gz UWBJMEJNQVRMAP-INIZCTEOSA-N 1 0 368.437 2.652 20 5 FFBDRO O=[N+]([O-])c1cncc(Cl)c1N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000596188388 520959882 /nfs/dbraw/zinc/95/98/82/520959882.db2.gz GTNFYVSMXPDRJU-UHFFFAOYSA-N 1 0 368.865 2.972 20 5 FFBDRO COc1cc(C[NH2+]C[C@@]2(C)COc3ccccc3O2)c([N+](=O)[O-])cc1OC ZINC000598985041 520960819 /nfs/dbraw/zinc/96/08/19/520960819.db2.gz HKWIIARVYAGCRJ-IBGZPJMESA-N 1 0 374.393 2.932 20 5 FFBDRO CN(CC[N@H+](C)C1CCCCC1)C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593422261 520983672 /nfs/dbraw/zinc/98/36/72/520983672.db2.gz DNZBYGZDGWUNNO-UHFFFAOYSA-N 1 0 351.422 2.999 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CCCOCC3)CC2)c2ccncc21 ZINC000596267877 521000720 /nfs/dbraw/zinc/00/07/20/521000720.db2.gz AUHSWNNVMIDRJK-UHFFFAOYSA-N 1 0 356.426 2.834 20 5 FFBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000611185035 521028950 /nfs/dbraw/zinc/02/89/50/521028950.db2.gz OOVYGDWAERFRHL-FXAWDEMLSA-N 1 0 371.437 2.856 20 5 FFBDRO CCC[N@H+](CC)CCNC(=O)c1cccc(Cn2nc([N+](=O)[O-])cc2C)c1 ZINC000593500667 521034487 /nfs/dbraw/zinc/03/44/87/521034487.db2.gz QYUDGQKLHZWELO-UHFFFAOYSA-N 1 0 373.457 2.610 20 5 FFBDRO Cn1c2cc(NC[C@H]3CC[N@@H+]3C3CCCCC3)c([N+](=O)[O-])cc2n(C)c1=O ZINC000599128380 521044453 /nfs/dbraw/zinc/04/44/53/521044453.db2.gz YVOYOHJSZSEFBL-CQSZACIVSA-N 1 0 373.457 2.604 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000601977885 521053689 /nfs/dbraw/zinc/05/36/89/521053689.db2.gz VMRFMXBFHQQXEP-AAEUAGOBSA-N 1 0 369.849 2.910 20 5 FFBDRO O=[N+]([O-])c1ccc2[nH]c(=NCC3CC[NH+](Cc4ccncc4)CC3)[nH]c2c1 ZINC000596436665 521069282 /nfs/dbraw/zinc/06/92/82/521069282.db2.gz NJWJQCJRNPOLSV-UHFFFAOYSA-N 1 0 366.425 2.612 20 5 FFBDRO Cn1ccnc1[C@H](N[C@@H]1CC[NH2+]CC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000602019706 521081428 /nfs/dbraw/zinc/08/14/28/521081428.db2.gz GGGXVWHLYIFEHT-NVXWUHKLSA-N 1 0 357.458 2.786 20 5 FFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)[C@@H]1CN(C)CCO1 ZINC000611336967 521103993 /nfs/dbraw/zinc/10/39/93/521103993.db2.gz WPEOVZXFUKCYGZ-FMKPAKJESA-N 1 0 353.488 2.774 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000611350404 521112197 /nfs/dbraw/zinc/11/21/97/521112197.db2.gz LACVHEBUQMJPKX-HZPDHXFCSA-N 1 0 361.442 2.980 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CC[C@H](O)C3)CC2)nc1-c1ccccc1 ZINC000596537364 521121727 /nfs/dbraw/zinc/12/17/27/521121727.db2.gz DJEOCDRWBUJRNY-KRWDZBQOSA-N 1 0 368.437 2.692 20 5 FFBDRO CC[N@H+](CCNC(=O)Cc1ccc(F)cc1[N+](=O)[O-])CCC(F)(F)F ZINC000593653213 521133744 /nfs/dbraw/zinc/13/37/44/521133744.db2.gz WIPXUJKQOBCTQR-UHFFFAOYSA-N 1 0 365.327 2.667 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000596625224 521174030 /nfs/dbraw/zinc/17/40/30/521174030.db2.gz QGELKAXDPFHDFI-AWEZNQCLSA-N 1 0 362.430 2.847 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)c(Cl)c1 ZINC000599464863 521239848 /nfs/dbraw/zinc/23/98/48/521239848.db2.gz VDUVBBRDLVFPMG-ZDUSSCGKSA-N 1 0 373.862 2.543 20 5 FFBDRO CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2C[C@@H]3C[NH2+]C[C@H]3C2)cc1OC ZINC000611661355 521270490 /nfs/dbraw/zinc/27/04/90/521270490.db2.gz WCKKWBMOTQXFGW-BPUTZDHNSA-N 1 0 363.458 2.680 20 5 FFBDRO C[C@H]1CCCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)[C@H]1CC[NH3+] ZINC000593914225 521288664 /nfs/dbraw/zinc/28/86/64/521288664.db2.gz BGQXNKQYNHTTHX-HOCLYGCPSA-N 1 0 360.458 2.785 20 5 FFBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NCCC1CC[NH2+]CC1 ZINC000593918813 521290943 /nfs/dbraw/zinc/29/09/43/521290943.db2.gz JTGUGVJCZQYYPN-UHFFFAOYSA-N 1 0 357.863 2.846 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCC1CC[NH2+]CC1 ZINC000593919249 521292687 /nfs/dbraw/zinc/29/26/87/521292687.db2.gz PDMSICCCWUTHOC-LLVKDONJSA-N 1 0 355.822 2.521 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H](C)[C@@H]2CC[NH3+])cc1SC ZINC000593934335 521299246 /nfs/dbraw/zinc/29/92/46/521299246.db2.gz MLAQRKWELZPPPV-AAEUAGOBSA-N 1 0 367.471 2.915 20 5 FFBDRO C[C@@H]1CCCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])[C@@H]1CC[NH3+] ZINC000593933427 521299361 /nfs/dbraw/zinc/29/93/61/521299361.db2.gz AOCSLEDQLFJAPM-ZWNOBZJWSA-N 1 0 370.247 2.947 20 5 FFBDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000602436098 521344055 /nfs/dbraw/zinc/34/40/55/521344055.db2.gz WUAVNQIATXCATM-UWVGGRQHSA-N 1 0 356.220 2.557 20 5 FFBDRO COc1cc(C[N@@H+]2CCCCC[C@H]2CO)c([N+](=O)[O-])cc1OC(F)F ZINC000594014379 521350632 /nfs/dbraw/zinc/35/06/32/521350632.db2.gz CMEJKELIQFBUIS-LBPRGKRZSA-N 1 0 360.357 2.942 20 5 FFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1CN1CC[NH+](C2CCOCC2)CC1 ZINC000602469878 521363697 /nfs/dbraw/zinc/36/36/97/521363697.db2.gz AKEBOSWGGJXZSD-UHFFFAOYSA-N 1 0 373.375 2.910 20 5 FFBDRO CO[C@@H](C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)C1CCOCC1 ZINC000602472769 521365327 /nfs/dbraw/zinc/36/53/27/521365327.db2.gz BQYGGCNMHTZJGL-IBGZPJMESA-N 1 0 364.442 2.880 20 5 FFBDRO CCN(C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)[C@H]1CC[N@H+](C)C1 ZINC000596900349 521366636 /nfs/dbraw/zinc/36/66/36/521366636.db2.gz MVBZBDKUBLPCSC-LBPRGKRZSA-N 1 0 371.235 2.915 20 5 FFBDRO CC[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@@H]1CCCCO1 ZINC000594040134 521367317 /nfs/dbraw/zinc/36/73/17/521367317.db2.gz DKWKRPYFEKIPSN-HOCLYGCPSA-N 1 0 365.430 2.869 20 5 FFBDRO C[C@@H]1C[C@H](NC(=O)c2c(Br)cccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000599659917 521372082 /nfs/dbraw/zinc/37/20/82/521372082.db2.gz LSMQKTVMFWJUDU-ZJUUUORDSA-N 1 0 368.231 2.712 20 5 FFBDRO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CCN(c2cnccn2)CC1 ZINC000619058285 521376164 /nfs/dbraw/zinc/37/61/64/521376164.db2.gz HACLEQFONNNREH-UHFFFAOYSA-N 1 0 368.397 2.627 20 5 FFBDRO CC(C)Oc1ncccc1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602499765 521381363 /nfs/dbraw/zinc/38/13/63/521381363.db2.gz LULQYXOQTJBLIY-UHFFFAOYSA-N 1 0 371.441 2.931 20 5 FFBDRO O=C(CCC[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)NC1CC1 ZINC000602512351 521388183 /nfs/dbraw/zinc/38/81/83/521388183.db2.gz APOVRKTYLNNUHM-UHFFFAOYSA-N 1 0 362.249 2.567 20 5 FFBDRO CC(C)[C@H]1C[NH2+]CCN1C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000602529541 521396225 /nfs/dbraw/zinc/39/62/25/521396225.db2.gz PXUOKVHGYANDII-OAHLLOKOSA-N 1 0 360.439 2.788 20 5 FFBDRO COC(=O)C1C[C@@H](C)[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000599695337 521407203 /nfs/dbraw/zinc/40/72/03/521407203.db2.gz LLIWGTHXZWPBLP-CHWSQXEVSA-N 1 0 363.414 2.585 20 5 FFBDRO CC(C)OCC[NH+]1CCC(NCc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000602572773 521416835 /nfs/dbraw/zinc/41/68/35/521416835.db2.gz NAGOXGGIODXDTB-UHFFFAOYSA-N 1 0 362.430 2.715 20 5 FFBDRO [NH3+][C@@H]1CCCCCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000602580663 521421298 /nfs/dbraw/zinc/42/12/98/521421298.db2.gz YHVMIOIKYIKGDP-SNVBAGLBSA-N 1 0 356.220 2.701 20 5 FFBDRO CN1Cc2ccccc2[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000602581838 521422954 /nfs/dbraw/zinc/42/29/54/521422954.db2.gz SFABONDATFFFDJ-IBGZPJMESA-N 1 0 367.453 2.735 20 5 FFBDRO C[C@]1(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCO[C@H]1C1CC1 ZINC000602612046 521437875 /nfs/dbraw/zinc/43/78/75/521437875.db2.gz RADHMUTZPCZJRN-RBUKOAKNSA-N 1 0 360.458 2.753 20 5 FFBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)[C@@H]1OC ZINC000602616727 521440380 /nfs/dbraw/zinc/44/03/80/521440380.db2.gz NFTBVLKTYJTUJX-AXFHLTTASA-N 1 0 365.249 2.701 20 5 FFBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]C3CCN(c4nccs4)CC3)nc2c1 ZINC000602647778 521454524 /nfs/dbraw/zinc/45/45/24/521454524.db2.gz NMIWZDSOMQAQJJ-UHFFFAOYSA-N 1 0 359.411 2.951 20 5 FFBDRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000594199233 521464956 /nfs/dbraw/zinc/46/49/56/521464956.db2.gz IGRAZEJQHLSKPD-MSOLQXFVSA-N 1 0 369.425 2.527 20 5 FFBDRO Cn1ncc2ccc(C[NH2+]C3CCN(c4ccc([N+](=O)[O-])nc4)CC3)cc21 ZINC000602678418 521475509 /nfs/dbraw/zinc/47/55/09/521475509.db2.gz WPGRJWWRPGUALK-UHFFFAOYSA-N 1 0 366.425 2.635 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H](C3CC3)C3CCOCC3)CC2)cn1 ZINC000602700460 521485955 /nfs/dbraw/zinc/48/59/55/521485955.db2.gz VCGIKSMIWKLPNU-LJQANCHMSA-N 1 0 360.458 2.753 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@@H]3CCN3C3CCCC3)CC2)cn1 ZINC000602725250 521498171 /nfs/dbraw/zinc/49/81/71/521498171.db2.gz KOOXWMFEFVREKX-SFHVURJKSA-N 1 0 359.474 2.565 20 5 FFBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597093489 521499677 /nfs/dbraw/zinc/49/96/77/521499677.db2.gz WNMLMKJSNWUYQB-ZYHUDNBSSA-N 1 0 367.837 2.921 20 5 FFBDRO O=C(Nc1ccc([N+](=O)[O-])c2ccncc12)N1CC[NH+](C2CCC2)CC1 ZINC000599830853 521499739 /nfs/dbraw/zinc/49/97/39/521499739.db2.gz XGGDQURFHULNLM-UHFFFAOYSA-N 1 0 355.398 2.845 20 5 FFBDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3ccc(O[C@@H]4CCOC4)cc3)CC2)n1 ZINC000597119735 521519118 /nfs/dbraw/zinc/51/91/18/521519118.db2.gz XSRDJVPGABPLMK-GOSISDBHSA-N 1 0 372.425 2.796 20 5 FFBDRO COc1ccc2c(c1)CC[C@@H]([NH2+]Cc1cc(OC)c(O)cc1[N+](=O)[O-])C2 ZINC000612194048 521525674 /nfs/dbraw/zinc/52/56/74/521525674.db2.gz PXEZIABPQPDTTG-OAHLLOKOSA-N 1 0 358.394 2.965 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CCN1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000602781981 521529844 /nfs/dbraw/zinc/52/98/44/521529844.db2.gz IQJMQORRNDINFV-MRXNPFEDSA-N 1 0 357.458 2.696 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000602787095 521531794 /nfs/dbraw/zinc/53/17/94/521531794.db2.gz OHASKZBFISWKLC-CQSZACIVSA-N 1 0 352.435 2.544 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H](Cn2cnc3ccccc32)C1 ZINC000602810251 521545635 /nfs/dbraw/zinc/54/56/35/521545635.db2.gz GFXIQVOHQNUFNJ-MRXNPFEDSA-N 1 0 368.441 2.862 20 5 FFBDRO Cn1cc(C[N@H+](CCCOc2ccccc2)C2CCOCC2)c([N+](=O)[O-])n1 ZINC000602812455 521548156 /nfs/dbraw/zinc/54/81/56/521548156.db2.gz XOQLASGRXLREDH-UHFFFAOYSA-N 1 0 374.441 2.778 20 5 FFBDRO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000597191578 521566320 /nfs/dbraw/zinc/56/63/20/521566320.db2.gz DVDAHNAUDKSOIP-XJKSGUPXSA-N 1 0 362.407 2.743 20 5 FFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCc2cn3c(n2)CCCC3)n1 ZINC000616008180 521601390 /nfs/dbraw/zinc/60/13/90/521601390.db2.gz WNOZOCCQKYAXEO-CVEARBPZSA-N 1 0 358.446 2.640 20 5 FFBDRO Cc1cc(OCC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)ccc1[N+](=O)[O-] ZINC000619537111 521756911 /nfs/dbraw/zinc/75/69/11/521756911.db2.gz VKGVQBQTUPSNBJ-BEFAXECRSA-N 1 0 373.453 2.757 20 5 FFBDRO C[C@@H](CCNc1ccc2ncc([N+](=O)[O-])n2n1)[N@H+](C)Cc1ccccc1 ZINC000502353699 561616799 /nfs/dbraw/zinc/61/67/99/561616799.db2.gz QPMHQWNAXABSIR-AWEZNQCLSA-N 1 0 354.414 2.960 20 5 FFBDRO C[NH+]1CCC(n2ccc(NC(=O)Nc3cc(F)cc([N+](=O)[O-])c3)n2)CC1 ZINC000470148282 560975318 /nfs/dbraw/zinc/97/53/18/560975318.db2.gz JRMAADMIMGESEY-UHFFFAOYSA-N 1 0 362.365 2.841 20 5 FFBDRO CCN1CC[NH+](C[C@H](C)CNc2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000473517945 561051772 /nfs/dbraw/zinc/05/17/72/561051772.db2.gz CIFKNWHXESOXLR-OAHLLOKOSA-N 1 0 357.458 2.829 20 5 FFBDRO O=[N+]([O-])c1ccccc1C=CC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC000738369752 598315869 /nfs/dbraw/zinc/31/58/69/598315869.db2.gz NRXXHYATBQHYEF-HYXAFXHYSA-N 1 0 354.345 2.717 20 5 FFBDRO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820419587 599375712 /nfs/dbraw/zinc/37/57/12/599375712.db2.gz IJZXCSYMZPIITF-GFCCVEGCSA-N 1 0 354.370 2.505 20 5 FFBDRO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])c(-c2nn[nH]n2)c1)c1cccc(F)c1 ZINC000825851947 607448898 /nfs/dbraw/zinc/44/88/98/607448898.db2.gz YPJOJSSPTWYZPK-MRXNPFEDSA-N 1 0 371.376 2.629 20 5 FFBDRO COc1ccc(C[NH2+]CC=Cc2ccccc2[N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000826202702 607568135 /nfs/dbraw/zinc/56/81/35/607568135.db2.gz JAPJOHUKNPQMLL-GQCTYLIASA-N 1 0 366.381 2.587 20 5 FFBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](C3CCCC3)CC2)c(-c2nn[nH]n2)c1 ZINC000823640039 606405341 /nfs/dbraw/zinc/40/53/41/606405341.db2.gz QDHHERLBLPHPLF-UHFFFAOYSA-N 1 0 357.418 2.594 20 5 FFBDRO Cc1c([C@@H](C)[NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)cccc1[N+](=O)[O-] ZINC000826235687 608280364 /nfs/dbraw/zinc/28/03/64/608280364.db2.gz OXYAQLWAQAMWIJ-CYBMUJFWSA-N 1 0 368.397 2.813 20 5 FFBDRO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000826184227 608469671 /nfs/dbraw/zinc/46/96/71/608469671.db2.gz PDOJKXRGAWEUGF-NSHDSACASA-N 1 0 354.370 2.634 20 5 FFBDRO C[C@@H](Nc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824648958 609314069 /nfs/dbraw/zinc/31/40/69/609314069.db2.gz JZBURIHZBFYHHJ-TZMCWYRMSA-N 1 0 371.445 2.840 20 5 FFBDRO Nc1nc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)ccc1[N+](=O)[O-] ZINC001164629208 719085074 /nfs/dbraw/zinc/08/50/74/719085074.db2.gz WLEJDJJQVINJGR-RDJZCZTQSA-N 1 0 353.426 2.673 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)nc(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)c1 ZINC001164724904 720331731 /nfs/dbraw/zinc/33/17/31/720331731.db2.gz LOYQWGLQOKCXDV-HUUCEWRRSA-N 1 0 359.817 2.891 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)nc(N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)c1 ZINC001164724905 720332052 /nfs/dbraw/zinc/33/20/52/720332052.db2.gz LOYQWGLQOKCXDV-LSDHHAIUSA-N 1 0 359.817 2.891 20 5 FFBDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cccc([N+](=O)[O-])n3)CC[C@@H]21 ZINC001164832949 720519317 /nfs/dbraw/zinc/51/93/17/720519317.db2.gz CCNMASFKISGJEX-IKGGRYGDSA-N 1 0 370.457 2.564 20 5 FFBDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ncc(F)cc1[N+](=O)[O-])[C@@H]2C ZINC001164858696 720937474 /nfs/dbraw/zinc/93/74/74/720937474.db2.gz KHKBZRXXRMOQPD-GFCCVEGCSA-N 1 0 362.409 2.747 20 5 FFBDRO Cc1cnc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001164901703 721512911 /nfs/dbraw/zinc/51/29/11/721512911.db2.gz YDLPQNDFWUKPEQ-NVXWUHKLSA-N 1 0 372.400 2.779 20 5 FFBDRO CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1ccc2ccc3cccnc3c2n1 ZINC001164926754 721855032 /nfs/dbraw/zinc/85/50/32/721855032.db2.gz JFJNMFVORBXGNZ-MOPGFXCFSA-N 1 0 361.493 2.998 20 5 FFBDRO Cc1nn(C)c(C)c1CNCc1ccc(Br)cc1[N+](=O)[O-] ZINC000162199557 728940544 /nfs/dbraw/zinc/94/05/44/728940544.db2.gz FNPUJXCUMGGINC-UHFFFAOYSA-N 1 0 353.220 2.997 20 5 FFBDRO Cn1cc([C@]2(C[NH2+]Cc3ccc([N+](=O)[O-])c(Cl)c3)CCCO2)cn1 ZINC000898056389 735308237 /nfs/dbraw/zinc/30/82/37/735308237.db2.gz GEQIVQWNLIJBGG-MRXNPFEDSA-N 1 0 350.806 2.777 20 5 FFBDRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000072628275 728212571 /nfs/dbraw/zinc/21/25/71/728212571.db2.gz NUZUGZPOXGKGFW-AWEZNQCLSA-N 1 0 350.463 2.901 20 5 FFBDRO CC[NH+](CC)C[C@H]1CCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000072823514 728213890 /nfs/dbraw/zinc/21/38/90/728213890.db2.gz YHPKUFNMZYTCQW-CYBMUJFWSA-N 1 0 368.865 2.850 20 5 FFBDRO CC[NH+](CC)CC(=O)N1CCN(c2cc(C)c([N+](=O)[O-])cc2Cl)CC1 ZINC000747216198 735544280 /nfs/dbraw/zinc/54/42/80/735544280.db2.gz OQLMEUIYFDHIMY-UHFFFAOYSA-N 1 0 368.865 2.547 20 5 FFBDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000236731161 729555286 /nfs/dbraw/zinc/55/52/86/729555286.db2.gz QZSMSZJHCHIGJT-ZDUSSCGKSA-N 1 0 357.838 2.849 20 5 FFBDRO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000906201147 736469379 /nfs/dbraw/zinc/46/93/79/736469379.db2.gz WDHAYHSLORBKRU-JKSUJKDBSA-N 1 0 351.834 2.924 20 5 FFBDRO C[C@@H]1[C@H]([NH3+])CCN1c1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000261719671 729652582 /nfs/dbraw/zinc/65/25/82/729652582.db2.gz PYWPPGZIZZHRDP-LDYMZIIASA-N 1 0 351.204 2.831 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CC[C@H]2CC2(Cl)Cl)cc1 ZINC000857239563 730386822 /nfs/dbraw/zinc/38/68/22/730386822.db2.gz SJHLHJRLTDKQRZ-JTQLQIEISA-N 1 0 367.254 2.542 20 5 FFBDRO CCC1([NH+]2CCOCC2)CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000858822791 730434195 /nfs/dbraw/zinc/43/41/95/730434195.db2.gz JNAGBKHPYADWGF-UHFFFAOYSA-N 1 0 355.385 2.954 20 5 FFBDRO O=C(NCC1([NH+]2CCCC2)CCOCC1)c1cccc([N+](=O)[O-])c1Cl ZINC000859225820 730446175 /nfs/dbraw/zinc/44/61/75/730446175.db2.gz FVYUIBPEMYFENZ-UHFFFAOYSA-N 1 0 367.833 2.623 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000860313467 730501033 /nfs/dbraw/zinc/50/10/33/730501033.db2.gz YZNQFVKHCFDRLZ-UXIGCNINSA-N 1 0 367.833 2.572 20 5 FFBDRO CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)C[C@H]1[NH+](C)C ZINC000860447560 730512714 /nfs/dbraw/zinc/51/27/14/730512714.db2.gz QRVCDPQNTSUOBG-IAGOWNOFSA-N 1 0 359.451 2.866 20 5 FFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1cccc(S(C)(=O)=O)c1 ZINC000866366749 731052470 /nfs/dbraw/zinc/05/24/70/731052470.db2.gz BDZNFJMMNOBRET-GFCCVEGCSA-N 1 0 366.414 2.858 20 5 FFBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C2CCN(S(C)(=O)=O)CC2)cc1[N+](=O)[O-] ZINC000925497623 738510887 /nfs/dbraw/zinc/51/08/87/738510887.db2.gz XGRVLBLVHVEGSI-UONOGXRCSA-N 1 0 369.487 2.614 20 5 FFBDRO CC(C)CN(CC1CC[NH+](C)CC1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000867864823 731236010 /nfs/dbraw/zinc/23/60/10/731236010.db2.gz LBXVFWGBRMTFGD-UHFFFAOYSA-N 1 0 369.487 2.583 20 5 FFBDRO CCS[C@@H]1CCC[C@H](NC(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C1 ZINC000867949765 731244695 /nfs/dbraw/zinc/24/46/95/731244695.db2.gz IIVKOZFMQSLPQN-YSVLISHTSA-N 1 0 351.472 2.949 20 5 FFBDRO Cc1nn(CCC(=O)O[C@H](C)C[C@@H]2CCCC[N@@H+]2C)c(C)c1[N+](=O)[O-] ZINC000870789662 731558415 /nfs/dbraw/zinc/55/84/15/731558415.db2.gz IVBKYGQYYIZNSY-DOMZBBRYSA-N 1 0 352.435 2.604 20 5 FFBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CCCN(CCCO)C1 ZINC000872074121 731726725 /nfs/dbraw/zinc/72/67/25/731726725.db2.gz BQHGKSLTHQVYCY-KGLIPLIRSA-N 1 0 353.488 2.814 20 5 FFBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCCN(CCCO)C1 ZINC000872074122 731726741 /nfs/dbraw/zinc/72/67/41/731726741.db2.gz BQHGKSLTHQVYCY-UONOGXRCSA-N 1 0 353.488 2.814 20 5 FFBDRO O=C1[C@H](c2ccc([N+](=O)[O-])cc2)CCN1C[N@@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000872720487 731819524 /nfs/dbraw/zinc/81/95/24/731819524.db2.gz QRPHTXXZHGRFHV-VYDXJSESSA-N 1 0 361.467 2.553 20 5 FFBDRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000874834507 732105495 /nfs/dbraw/zinc/10/54/95/732105495.db2.gz SFXIXUGLQUEWHR-KBPBESRZSA-N 1 0 357.332 2.922 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000874844033 732107127 /nfs/dbraw/zinc/10/71/27/732107127.db2.gz QEYQNNZFQBFQID-FPMFFAJLSA-N 1 0 367.833 2.711 20 5 FFBDRO CC(C)[C@H]1C[NH2+]CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000876999769 732309525 /nfs/dbraw/zinc/30/95/25/732309525.db2.gz YGRFHWJAHKVIJX-GFCCVEGCSA-N 1 0 374.210 2.566 20 5 FFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1CNC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000877021421 732313785 /nfs/dbraw/zinc/31/37/85/732313785.db2.gz BFZAZCJXPZDUKH-UONOGXRCSA-N 1 0 359.348 2.566 20 5 FFBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877279212 732340007 /nfs/dbraw/zinc/34/00/07/732340007.db2.gz XIRIFAZJZLHZBT-NEPJUHHUSA-N 1 0 355.847 2.693 20 5 FFBDRO CN(CCCCCC[NH3+])C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000877438748 732362426 /nfs/dbraw/zinc/36/24/26/732362426.db2.gz VSSSVBNXAINIOZ-UHFFFAOYSA-N 1 0 358.236 2.948 20 5 FFBDRO C[C@H]1[C@H](C)[N@H+](C)CCN1Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000878341254 732516705 /nfs/dbraw/zinc/51/67/05/732516705.db2.gz ZTTRZKVXQWPQBK-QWRGUYRKSA-N 1 0 365.821 2.823 20 5 FFBDRO C[C@@](CO)([NH2+]C[C@@H](O)c1ccc(F)cc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000879271603 732676451 /nfs/dbraw/zinc/67/64/51/732676451.db2.gz GTWFLWAJBJLWHA-SJORKVTESA-N 1 0 368.792 2.918 20 5 FFBDRO C[C@](CO)([NH2+]C[C@H](O)c1cccc(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000879272941 732676608 /nfs/dbraw/zinc/67/66/08/732676608.db2.gz FOUCORCMPRWESP-DLBZAZTESA-N 1 0 350.802 2.779 20 5 FFBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879575733 732727444 /nfs/dbraw/zinc/72/74/44/732727444.db2.gz MYBKEAHCKURVSS-WQGACYEGSA-N 1 0 366.849 2.601 20 5 FFBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCCSC[C@H]1c1ccccc1 ZINC000880387982 732900669 /nfs/dbraw/zinc/90/06/69/732900669.db2.gz ODQKWUMNBKJTBG-KRWDZBQOSA-N 1 0 359.451 2.937 20 5 FFBDRO CC[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000880467779 732911572 /nfs/dbraw/zinc/91/15/72/732911572.db2.gz JPWFULMDBJUEDV-YPMHNXCESA-N 1 0 355.822 2.982 20 5 FFBDRO CC[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CCCOC1 ZINC000880469565 732912027 /nfs/dbraw/zinc/91/20/27/732912027.db2.gz VVXUMPSFHMIZEY-SMDDNHRTSA-N 1 0 355.822 2.982 20 5 FFBDRO CC[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCCOC1 ZINC000880470276 732912037 /nfs/dbraw/zinc/91/20/37/732912037.db2.gz ZGGLQVDKBOJKPR-RISCZKNCSA-N 1 0 355.822 2.982 20 5 FFBDRO CC1([NH+]2CCC2)CCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000880472898 732912534 /nfs/dbraw/zinc/91/25/34/732912534.db2.gz HUWQCGZQBCTETR-UHFFFAOYSA-N 1 0 366.849 2.747 20 5 FFBDRO CC1([NH+]2CCC2)CCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000880473149 732912542 /nfs/dbraw/zinc/91/25/42/732912542.db2.gz QPRTXQZZEAYGJP-UHFFFAOYSA-N 1 0 366.849 2.747 20 5 FFBDRO CCOc1ccc([C@H](C)[NH2+]CC(C)(C)CS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000926952604 738672874 /nfs/dbraw/zinc/67/28/74/738672874.db2.gz BUDWKAYLVGHTMN-LBPRGKRZSA-N 1 0 358.460 2.715 20 5 FFBDRO COC[C@@H]([NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1)[C@@H]1CCCOC1 ZINC000886359278 733776882 /nfs/dbraw/zinc/77/68/82/733776882.db2.gz AEBAJSJNCOLILZ-TZMCWYRMSA-N 1 0 373.247 2.889 20 5 FFBDRO O=[N+]([O-])c1ccccc1-c1nc(-c2cn([C@@H]3CCC[NH2+]C3)nn2)cs1 ZINC000887486688 733935700 /nfs/dbraw/zinc/93/57/00/733935700.db2.gz XEGRQFMYLBKGOI-LLVKDONJSA-N 1 0 356.411 2.901 20 5 FFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](CO)C[C@H](O)c2ccccc2)cc1Cl ZINC000783648852 738822783 /nfs/dbraw/zinc/82/27/83/738822783.db2.gz ASENCVDMCOCVQU-YOEHRIQHSA-N 1 0 350.802 2.822 20 5 FFBDRO Cn1nccc1[C@H]1C[C@@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000894745065 734909256 /nfs/dbraw/zinc/90/92/56/734909256.db2.gz JCZIZVJYKGIPOG-XJKSGUPXSA-N 1 0 350.806 2.992 20 5 FFBDRO C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000895276575 734985851 /nfs/dbraw/zinc/98/58/51/734985851.db2.gz XFXXYVLXWGYKAK-LBPRGKRZSA-N 1 0 360.801 2.994 20 5 FFBDRO C[C@@H](C[C@H]1CCCC(=O)N1)[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000895610438 735031398 /nfs/dbraw/zinc/03/13/98/735031398.db2.gz BRZJSVRELDLNDB-GXFFZTMASA-N 1 0 370.247 2.894 20 5 FFBDRO CC[C@@H](C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C)[NH+](CC)CC ZINC000741032837 735111903 /nfs/dbraw/zinc/11/19/03/735111903.db2.gz NWZRHKWCESIGBG-HNNXBMFYSA-N 1 0 351.403 2.505 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2CCSC(C)(C)C2)cc1[N+](=O)[O-] ZINC000897794930 735277518 /nfs/dbraw/zinc/27/75/18/735277518.db2.gz KVJISPQVJYGMIU-CYBMUJFWSA-N 1 0 368.455 2.910 20 5 FFBDRO CS(=O)(=O)C1CCC(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000903149513 736041631 /nfs/dbraw/zinc/04/16/31/736041631.db2.gz DNOGXOVBRWENOK-ZUEPYMLJSA-N 1 0 352.456 2.775 20 5 FFBDRO COC(=O)N1CCC(C[NH2+][C@@H](C)c2cc(OC)cc([N+](=O)[O-])c2)CC1 ZINC000903171897 736047565 /nfs/dbraw/zinc/04/75/65/736047565.db2.gz SUNCSNFHOXTKED-LBPRGKRZSA-N 1 0 351.403 2.732 20 5 FFBDRO COC(=O)C[C@H]([NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)C1CC1 ZINC000754543965 736170536 /nfs/dbraw/zinc/17/05/36/736170536.db2.gz YZDGZTGSMLLBSG-ZANVPECISA-N 1 0 369.805 2.507 20 5 FFBDRO C[C@H]1C[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CC[N@@H+]1C ZINC000755012018 736226534 /nfs/dbraw/zinc/22/65/34/736226534.db2.gz CNLUUOPLFUWDBX-WCBMZHEXSA-N 1 0 374.210 2.709 20 5 FFBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H](O)CCC2(O)CCC2)cc(C(F)(F)F)c1 ZINC000905238383 736316232 /nfs/dbraw/zinc/31/62/32/736316232.db2.gz PZUBQIUNZORRNO-CQSZACIVSA-N 1 0 362.348 2.759 20 5 FFBDRO O=C(C[N@@H+]1CCC[C@@H]2COCC[C@H]21)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000756902166 736371809 /nfs/dbraw/zinc/37/18/09/736371809.db2.gz QMQHQNMSBBBVJB-BXUZGUMPSA-N 1 0 353.806 2.688 20 5 FFBDRO C[C@@H](CNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)[NH+]1CCCCC1 ZINC000756951854 736376195 /nfs/dbraw/zinc/37/61/95/736376195.db2.gz XBUCISWWSHLQBC-LBPRGKRZSA-N 1 0 354.838 2.922 20 5 FFBDRO CC[NH+](CC)[C@H]1CCN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000756967525 736378498 /nfs/dbraw/zinc/37/84/98/736378498.db2.gz QWFLUSLALKHIRC-AWEZNQCLSA-N 1 0 354.838 2.874 20 5 FFBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000757729255 736423041 /nfs/dbraw/zinc/42/30/41/736423041.db2.gz LGXORFYFHCAQOI-BMIGLBTASA-N 1 0 352.822 2.530 20 5 FFBDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000757771762 736425915 /nfs/dbraw/zinc/42/59/15/736425915.db2.gz SCEFICXGFHYOQZ-NXEZZACHSA-N 1 0 371.235 2.914 20 5 FFBDRO O=C(C[NH2+][C@H]1Cc2cccc(O)c2C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000759723112 736588803 /nfs/dbraw/zinc/58/88/03/736588803.db2.gz WEWWBUJBDMPWEI-LBPRGKRZSA-N 1 0 361.785 2.649 20 5 FFBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NC2CCC([NH+]3CCCCC3)CC2)c1 ZINC000760577137 736651640 /nfs/dbraw/zinc/65/16/40/736651640.db2.gz ROVRZMFTGVXWJA-UHFFFAOYSA-N 1 0 367.471 2.670 20 5 FFBDRO CC1(C2CC[NH+](CCCOc3ccc([N+](=O)[O-])cc3)CC2)OCCO1 ZINC000760899891 736678477 /nfs/dbraw/zinc/67/84/77/736678477.db2.gz SEDGULLBTQQGNL-UHFFFAOYSA-N 1 0 350.415 2.839 20 5 FFBDRO C[C@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000912805142 737342070 /nfs/dbraw/zinc/34/20/70/737342070.db2.gz JELSKUKJEFYCFA-CZUORRHYSA-N 1 0 351.422 2.855 20 5 FFBDRO C[C@@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000912805143 737342554 /nfs/dbraw/zinc/34/25/54/737342554.db2.gz JELSKUKJEFYCFA-XJKSGUPXSA-N 1 0 351.422 2.855 20 5 FFBDRO O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCC([NH+]2CCC2)CC1 ZINC000912878011 737352241 /nfs/dbraw/zinc/35/22/41/737352241.db2.gz FNBWXIIRRFCBHM-UHFFFAOYSA-N 1 0 357.332 2.924 20 5 FFBDRO COC[C@H]1CCCC[N@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000767948147 737385219 /nfs/dbraw/zinc/38/52/19/737385219.db2.gz LJCDZAXENUWBAR-LBPRGKRZSA-N 1 0 355.822 2.935 20 5 FFBDRO O=C(NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)C12CCC[NH+](CCC1)C2 ZINC000913385812 737397017 /nfs/dbraw/zinc/39/70/17/737397017.db2.gz KHRUFAJVKPJDGP-UHFFFAOYSA-N 1 0 355.797 2.880 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@@H]2COC3(CCCC3)O2)n1 ZINC000774270375 737975925 /nfs/dbraw/zinc/97/59/25/737975925.db2.gz DTXSSPUSZFCNIA-RBSFLKMASA-N 1 0 350.419 2.550 20 5 FFBDRO COCCC[N@H+](CCOC)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000774626892 738006600 /nfs/dbraw/zinc/00/66/00/738006600.db2.gz MPJJYCNHPKQUGN-UHFFFAOYSA-N 1 0 356.810 2.540 20 5 FFBDRO C[N@@H+]1CCC[C@@H]2CN(Cn3ncc4cc([N+](=O)[O-])cc(Cl)c43)CC[C@@H]21 ZINC000774640387 738008939 /nfs/dbraw/zinc/00/89/39/738008939.db2.gz RXUYTFNSPRDOGN-WBMJQRKESA-N 1 0 363.849 2.972 20 5 FFBDRO CN1C[C@@H](CC[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1=O ZINC000922487416 738153574 /nfs/dbraw/zinc/15/35/74/738153574.db2.gz CTERZVLJOMHKBJ-LBPRGKRZSA-N 1 0 360.439 2.676 20 5 FFBDRO CS[C@@H]1CN(C(=O)c2cc(F)cc(C)c2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000777310869 738277214 /nfs/dbraw/zinc/27/72/14/738277214.db2.gz SVUSMNKJWXMISL-HUUCEWRRSA-N 1 0 367.446 2.694 20 5 FFBDRO O=[N+]([O-])c1ccc(Br)c(C[N@@H+]2C[C@@H]3C[C@H](O)CC[C@@H]3C2)c1 ZINC000930929183 739186905 /nfs/dbraw/zinc/18/69/05/739186905.db2.gz MMVYOBZHJIISQL-UHIISALHSA-N 1 0 355.232 2.950 20 5 FFBDRO CC(C)(C)[N@@H+]1CCCN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)CC1 ZINC000931124572 739215757 /nfs/dbraw/zinc/21/57/57/739215757.db2.gz QIVYGGUXOLNXDE-UHFFFAOYSA-N 1 0 372.828 2.916 20 5 FFBDRO C[C@H]([NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CCC(F)(F)CC1 ZINC000788987753 739306409 /nfs/dbraw/zinc/30/64/09/739306409.db2.gz NUDXYCHQXICTDO-IUIKQTSFSA-N 1 0 358.385 2.793 20 5 FFBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@@H]2CCOc3ccc(Br)cc32)n1 ZINC000932211206 739406843 /nfs/dbraw/zinc/40/68/43/739406843.db2.gz VBDSFDHGSNAUCV-GFCCVEGCSA-N 1 0 367.203 2.667 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1C[C@H](SC)[C@@H]([NH+](C)C)C1 ZINC000790271458 739431565 /nfs/dbraw/zinc/43/15/65/739431565.db2.gz AIMCMOALZNBYFH-STQMWFEESA-N 1 0 373.862 2.517 20 5 FFBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000790726404 739488258 /nfs/dbraw/zinc/48/82/58/739488258.db2.gz KFXQGJDIGSLDAZ-GFCCVEGCSA-N 1 0 357.813 2.920 20 5 FFBDRO CC(C)[N@@H+]1CCC[C@@H](NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000791142756 739532265 /nfs/dbraw/zinc/53/22/65/739532265.db2.gz RBNKLUIPCRXWEH-GFCCVEGCSA-N 1 0 357.813 2.919 20 5 FFBDRO COC(=O)CC1([NH2+]CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCCC1 ZINC000791585558 739581347 /nfs/dbraw/zinc/58/13/47/739581347.db2.gz MLEKTRBBMRKBPN-UHFFFAOYSA-N 1 0 369.805 2.652 20 5 FFBDRO Cc1c(NC(=O)NC[C@H]2CC[N@@H+](C)C2)cc([N+](=O)[O-])cc1C(F)(F)F ZINC000933340785 739607061 /nfs/dbraw/zinc/60/70/61/739607061.db2.gz VSPSCCHACCYGLO-SNVBAGLBSA-N 1 0 360.336 2.995 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H]2CSC[C@]2(C)C1 ZINC000934777012 739838737 /nfs/dbraw/zinc/83/87/37/739838737.db2.gz PXXUJFAGFLRBBM-PXAZEXFGSA-N 1 0 365.455 2.617 20 5 FFBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC000935153345 739903423 /nfs/dbraw/zinc/90/34/23/739903423.db2.gz YTYYYWZMCILSHZ-CYBMUJFWSA-N 1 0 351.422 2.855 20 5 FFBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC000935978259 740040783 /nfs/dbraw/zinc/04/07/83/740040783.db2.gz VTQSQKCEWLPJIY-JOYOIKCWSA-N 1 0 370.812 2.668 20 5 FFBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2c(Cl)nc3cc(Cl)ccn32)c1 ZINC000796318608 740131661 /nfs/dbraw/zinc/13/16/61/740131661.db2.gz FNXDUGMYIXCGQG-UHFFFAOYSA-N 1 0 355.185 2.536 20 5 FFBDRO C[NH+](C)CCN(C(=O)c1cccc([N+](=O)[O-])c1Br)C1CC1 ZINC000807267462 741124614 /nfs/dbraw/zinc/12/46/14/741124614.db2.gz AASJCDBTYMACCN-UHFFFAOYSA-N 1 0 356.220 2.524 20 5 FFBDRO CC(C)[NH+]1CCC(NC(=O)COc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000808056752 741181478 /nfs/dbraw/zinc/18/14/78/741181478.db2.gz ABTJZRCOIZJMNJ-UHFFFAOYSA-N 1 0 355.822 2.616 20 5 FFBDRO CCCC[N@H+](C)C[C@H](C)Nc1c([N+](=O)[O-])cc(CO)c(C)c1[N+](=O)[O-] ZINC000808178033 741195675 /nfs/dbraw/zinc/19/56/75/741195675.db2.gz ZQGKWLGBJGCHML-NSHDSACASA-N 1 0 354.407 2.836 20 5 FFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](N2CCOCC2)C(F)(F)F)cc1Cl ZINC000809711455 741335381 /nfs/dbraw/zinc/33/53/81/741335381.db2.gz XKGZJJBNUJBQCM-ZDUSSCGKSA-N 1 0 367.755 2.601 20 5 FFBDRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3ccc([N+](=O)[O-])c(Cl)c3)[C@@H]2C1 ZINC000809788368 741344311 /nfs/dbraw/zinc/34/43/11/741344311.db2.gz RGNSNXOCTAMCDA-SQWLQELKSA-N 1 0 351.834 2.985 20 5 FFBDRO C[C@H]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C[C@H]1C[NH3+] ZINC000818008129 742229224 /nfs/dbraw/zinc/22/92/24/742229224.db2.gz DNGJVCCSUZPPAU-DTWKUNHWSA-N 1 0 374.210 2.553 20 5 FFBDRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000818473708 742273229 /nfs/dbraw/zinc/27/32/29/742273229.db2.gz UVJLLMRTNGAKKB-YOGCLGLASA-N 1 0 368.231 2.842 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N(C)C2CCC([NH3+])CC2)cc1SC ZINC000818528875 742277006 /nfs/dbraw/zinc/27/70/06/742277006.db2.gz MIKPWWAWKRLFCM-UHFFFAOYSA-N 1 0 353.444 2.667 20 5 FFBDRO C[C@@H](CCNC(=O)OC(C)(C)C)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819213207 742354955 /nfs/dbraw/zinc/35/49/55/742354955.db2.gz DIZNJSASSPNBJD-SWLSCSKDSA-N 1 0 353.419 2.521 20 5 FFBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000820502953 742512096 /nfs/dbraw/zinc/51/20/96/742512096.db2.gz DCYLURQUBBDCEG-KCJUWKMLSA-N 1 0 374.210 2.661 20 5 FFBDRO CS(=O)(=O)CCCC[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000822494947 742743412 /nfs/dbraw/zinc/74/34/12/742743412.db2.gz ZNIKHQYYXSSARH-UHFFFAOYSA-N 1 0 355.243 2.816 20 5 FFBDRO Cc1cc(Cl)c(C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000826047767 743361285 /nfs/dbraw/zinc/36/12/85/743361285.db2.gz OOTGELZQUVEBKO-ZDUSSCGKSA-N 1 0 369.849 2.739 20 5 FFBDRO CC(C)(C[NH+]1CCCC1)NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000832756050 745749835 /nfs/dbraw/zinc/74/98/35/745749835.db2.gz IWJPZWMZOOVHPB-UHFFFAOYSA-N 1 0 354.838 2.651 20 5 FFBDRO COCCC[NH+]1CCC(NC(=O)c2cc(Cl)c(C)cc2[N+](=O)[O-])CC1 ZINC000836582150 746261115 /nfs/dbraw/zinc/26/11/15/746261115.db2.gz CSSVDDURMWJFGZ-UHFFFAOYSA-N 1 0 369.849 2.787 20 5 FFBDRO CC[NH+](CC)CCOCCNC(=O)c1cc(Cl)c(C)cc1[N+](=O)[O-] ZINC000836785366 746305564 /nfs/dbraw/zinc/30/55/64/746305564.db2.gz RZMYJJFTQROKRN-UHFFFAOYSA-N 1 0 357.838 2.645 20 5 FFBDRO C[C@H]1CC[C@](CO)([N@H+](C)CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000839568224 746858034 /nfs/dbraw/zinc/85/80/34/746858034.db2.gz KTZVYFWGNFEBTG-ZBEGNZNMSA-N 1 0 355.822 2.670 20 5 FFBDRO C[NH+]1CCN(CCCSc2nc3ccc([N+](=O)[O-])cc3s2)CC1 ZINC000839984952 746974115 /nfs/dbraw/zinc/97/41/15/746974115.db2.gz NHOFOTMPJGJDDU-UHFFFAOYSA-N 1 0 352.485 2.934 20 5 FFBDRO CC(C)[N@@H+]1CC[C@H](N(C)Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 ZINC000840155430 747022063 /nfs/dbraw/zinc/02/20/63/747022063.db2.gz XWMMCLNUZJYJFN-ZDUSSCGKSA-N 1 0 351.838 2.970 20 5 FFBDRO [NH3+][C@H]1CCCO[C@H]1C1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000841099336 747268962 /nfs/dbraw/zinc/26/89/62/747268962.db2.gz IFYNBNKSDRSIGC-IRXDYDNUSA-N 1 0 353.850 2.967 20 5 FFBDRO C[C@H]1CCN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000841162353 747285039 /nfs/dbraw/zinc/28/50/39/747285039.db2.gz VHDNLLPPPGVLNX-VHSXEESVSA-N 1 0 371.235 2.806 20 5 FFBDRO O=C(CN1CCCC[C@H]1[C@@H]1CCC[NH2+]1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000842473410 747612549 /nfs/dbraw/zinc/61/25/49/747612549.db2.gz FOBGEXULVFZUSA-ZFWWWQNUSA-N 1 0 366.849 2.793 20 5 FFBDRO O=C(CN1CCC([NH2+]CC2CC2)CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000843351467 747815153 /nfs/dbraw/zinc/81/51/53/747815153.db2.gz WCRANYHCJLXEQQ-UHFFFAOYSA-N 1 0 366.849 2.651 20 5 FFBDRO O=C(CN1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000843362825 747817460 /nfs/dbraw/zinc/81/74/60/747817460.db2.gz IBNMNZHICOUHID-TZMCWYRMSA-N 1 0 366.849 2.651 20 5 FFBDRO CC(C)C[N@H+](C)CCCNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000844653633 748066238 /nfs/dbraw/zinc/06/62/38/748066238.db2.gz CIEZKAGYNMWBLV-UHFFFAOYSA-N 1 0 354.426 2.508 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC[S@](=O)CC(F)(F)F ZINC000850494651 749374705 /nfs/dbraw/zinc/37/47/05/749374705.db2.gz RMSBAFBENAWORF-KLVQOETNSA-N 1 0 354.350 2.565 20 5 FFBDRO Cc1ccc([C@H](C)[NH2+]CCS(=O)(=O)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000850518854 749380106 /nfs/dbraw/zinc/38/01/06/749380106.db2.gz FNVIYYKNYUKJLK-JTQLQIEISA-N 1 0 354.350 2.531 20 5 FFBDRO C[N@@H+]1CC[C@@]2(C1)CCCN(CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C2 ZINC000852108933 749775759 /nfs/dbraw/zinc/77/57/59/749775759.db2.gz PZVKGMZOAFHHMJ-QGZVFWFLSA-N 1 0 366.849 2.604 20 5 FFBDRO O=[N+]([O-])c1cc(C[N@@H+]2C[C@@H]3C[C@H](O)CC[C@@H]3C2)ccc1Br ZINC000852346075 749840639 /nfs/dbraw/zinc/84/06/39/749840639.db2.gz VRGYPRNZVQBGIB-FRRDWIJNSA-N 1 0 355.232 2.950 20 5 FFBDRO O=[N+]([O-])c1ccc(Br)cc1NCCC[NH+]1CCC(O)CC1 ZINC000853203633 750027189 /nfs/dbraw/zinc/02/71/89/750027189.db2.gz ZUJORPRSAJQMDU-UHFFFAOYSA-N 1 0 358.236 2.616 20 5 FFBDRO O=[N+]([O-])c1ccc(Br)cc1NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252565336 845770941 /nfs/dbraw/zinc/77/09/41/845770941.db2.gz YTOONPZCDIWBCI-RYUDHWBXSA-N 1 0 356.220 2.632 20 5 FFBDRO Cc1cc(C(=O)Nc2ccc(CN3CC[NH+](C)CC3)cc2)cc([N+](=O)[O-])c1 ZINC000147881403 971367913 /nfs/dbraw/zinc/36/79/13/971367913.db2.gz MVBVTEKMWOFVLS-UHFFFAOYSA-N 1 0 368.437 2.903 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@@H]3CC[C@@H](C(F)(F)F)O3)CC2)cn1 ZINC000896279684 971395142 /nfs/dbraw/zinc/39/51/42/971395142.db2.gz FCYSIUKENMZNHI-KBPBESRZSA-N 1 0 374.363 2.658 20 5 FFBDRO Nc1c(C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cc2ccccc2c1[N+](=O)[O-] ZINC000896519963 971533896 /nfs/dbraw/zinc/53/38/96/971533896.db2.gz ARZCMCKKGOZBDM-CQSZACIVSA-N 1 0 368.437 2.888 20 5 FFBDRO O=C(NCCC1CC[NH+](Cc2ccc(C3CC3)cc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001267943470 971684371 /nfs/dbraw/zinc/68/43/71/971684371.db2.gz OYKHMLKBMPCRGN-WOJBJXKFSA-N 1 0 371.481 2.948 20 5 FFBDRO COc1ccccc1OCC[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000053709987 971879635 /nfs/dbraw/zinc/87/96/35/971879635.db2.gz AZZIKYZEJYUATR-UHFFFAOYSA-N 1 0 373.409 2.943 20 5 FFBDRO O=C(Cc1cccc(F)c1[N+](=O)[O-])N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000866846359 958885568 /nfs/dbraw/zinc/88/55/68/958885568.db2.gz CSLFNZWWYZZHSD-PBHICJAKSA-N 1 0 361.417 2.752 20 5 FFBDRO C[C@@H](CO)[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000121220677 972448182 /nfs/dbraw/zinc/44/81/82/972448182.db2.gz LAHVPHUWUBHPDQ-AWEZNQCLSA-N 1 0 352.394 2.918 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C)cc2)C1 ZINC001174841807 1013315475 /nfs/dbraw/zinc/31/54/75/1013315475.db2.gz DVFOLHWHNBRLQG-MRXNPFEDSA-N 1 0 369.421 2.916 20 5 FFBDRO CC(C)(C)CC[N@H+](CC1CC1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001269621809 964230570 /nfs/dbraw/zinc/23/05/70/964230570.db2.gz PSLWFNVPJLSJHQ-IAGOWNOFSA-N 1 0 351.491 2.791 20 5 FFBDRO CC[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@H]1CCCOC1 ZINC001175661718 1013530364 /nfs/dbraw/zinc/53/03/64/1013530364.db2.gz RXINIYNPAHLXGE-DZGCQCFKSA-N 1 0 365.430 2.727 20 5 FFBDRO CN(Cc1ccco1)C(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000934043528 965541653 /nfs/dbraw/zinc/54/16/53/965541653.db2.gz LDYSLTCMFPNKJB-UHFFFAOYSA-N 1 0 373.413 2.604 20 5 FFBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)N3CC[C@@H](C4CC4)C3)c2)CC1 ZINC000934046098 965543343 /nfs/dbraw/zinc/54/33/43/965543343.db2.gz YAKZJZAJRPMFTL-OAHLLOKOSA-N 1 0 373.457 2.610 20 5 FFBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)N(C3CC3)C3CC3)c2)CC1 ZINC000934039274 965547442 /nfs/dbraw/zinc/54/74/42/965547442.db2.gz WZZMDSCQWWORKX-UHFFFAOYSA-N 1 0 359.430 2.505 20 5 FFBDRO COC(=O)c1c(C)c([N+](=O)[O-])ccc1-n1cc(CC[NH3+])c2cc(O)ccc21 ZINC001167986596 965910661 /nfs/dbraw/zinc/91/06/61/965910661.db2.gz BFTYFWVXRGYQSR-UHFFFAOYSA-N 1 0 369.377 2.841 20 5 FFBDRO COc1cc(C[NH2+]C[C@@H]2COCO2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000894868966 965978249 /nfs/dbraw/zinc/97/82/49/965978249.db2.gz QHHJHKMGLAOKDU-QGZVFWFLSA-N 1 0 374.393 2.645 20 5 FFBDRO COc1c(O)ccc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000892235114 966348935 /nfs/dbraw/zinc/34/89/35/966348935.db2.gz KURCJILEVCUBLG-XJKSGUPXSA-N 1 0 361.442 2.758 20 5 FFBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000892333796 967439818 /nfs/dbraw/zinc/43/98/18/967439818.db2.gz CUCXYMAFDGGODO-UHFFFAOYSA-N 1 0 368.437 2.625 20 5 FFBDRO CN(C)c1cc[nH+]c(CNc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)c1 ZINC000895464986 970647463 /nfs/dbraw/zinc/64/74/63/970647463.db2.gz GFKAWHOTBTZRLO-UHFFFAOYSA-N 1 0 369.425 2.904 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)nc1-c1ccccc1 ZINC000897220654 973458483 /nfs/dbraw/zinc/45/84/83/973458483.db2.gz CWTIHFYUWAOSCH-IRXDYDNUSA-N 1 0 368.437 2.692 20 5 FFBDRO COC(=O)C[C@@H]1CC[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000898480867 976494021 /nfs/dbraw/zinc/49/40/21/976494021.db2.gz LIYGWMJMYOTRFJ-ZBFHGGJFSA-N 1 0 361.442 2.885 20 5 FFBDRO C[NH+](C)CCCC(C)(C)NC(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000899153051 976969930 /nfs/dbraw/zinc/96/99/30/976969930.db2.gz MBDUDGHLIZHXRD-UHFFFAOYSA-N 1 0 373.457 2.690 20 5 FFBDRO C[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(-n2cncn2)cc1 ZINC000178565220 977349765 /nfs/dbraw/zinc/34/97/65/977349765.db2.gz MAARUHSQZPJPQT-UGSOOPFHSA-N 1 0 353.382 2.560 20 5 FFBDRO CCc1cccc(C[N@@H+]2C[C@@]3(C)CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C[C@@]3(C)C2)c1 ZINC000982278884 977376166 /nfs/dbraw/zinc/37/61/66/977376166.db2.gz UVFNDGHCOHLEKK-UKAVVXHISA-N 1 0 371.481 2.585 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)cc1C ZINC001211756708 977796736 /nfs/dbraw/zinc/79/67/36/977796736.db2.gz YQJTWASAWLHUHE-INIZCTEOSA-N 1 0 369.487 2.610 20 5 FFBDRO O=C1CCCCN1c1ccc(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000876963846 1014435338 /nfs/dbraw/zinc/43/53/38/1014435338.db2.gz IMXZKWXTOCXMBH-UHFFFAOYSA-N 1 0 369.425 2.802 20 5 FFBDRO COc1ccc(OC(F)F)c(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)c1 ZINC000877084370 1014472410 /nfs/dbraw/zinc/47/24/10/1014472410.db2.gz MAPRBSBWZNWGQQ-UHFFFAOYSA-N 1 0 368.340 2.895 20 5 FFBDRO Cn1cc(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)c(-c2ccccc2)n1 ZINC000877193676 1014505454 /nfs/dbraw/zinc/50/54/54/1014505454.db2.gz LFQBQLDSDJALOO-UHFFFAOYSA-N 1 0 352.398 2.685 20 5 FFBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N[C@H]1CCCCC12CC[NH2+]CC2 ZINC000877406086 1014577294 /nfs/dbraw/zinc/57/72/94/1014577294.db2.gz QTJLRICZWCHGLE-KRWDZBQOSA-N 1 0 360.458 2.825 20 5 FFBDRO C[C@H](O)[C@@](C)(C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)Cc1ccccc1 ZINC000877473244 1014593385 /nfs/dbraw/zinc/59/33/85/1014593385.db2.gz JHEXTIHILLXHJV-RFXRWBHQSA-N 1 0 358.442 2.714 20 5 FFBDRO Cc1ccc([C@H](O)[C@@H](C)[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1 ZINC000877517543 1014609911 /nfs/dbraw/zinc/60/99/11/1014609911.db2.gz OFAFPQWEVJZBAW-FOIQADDNSA-N 1 0 370.453 2.979 20 5 FFBDRO C[N@H+](CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)CC1CCC2(CC2)CC1 ZINC001029964603 980152870 /nfs/dbraw/zinc/15/28/70/980152870.db2.gz QORVZVSXOFDVRJ-QZTJIDSGSA-N 1 0 363.502 2.792 20 5 FFBDRO C[C@@]1(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCOC2(CCC2)C1 ZINC000905493125 980457019 /nfs/dbraw/zinc/45/70/19/980457019.db2.gz RMHNHKCQJKLWAP-CRAIPNDOSA-N 1 0 364.442 2.664 20 5 FFBDRO O=C(C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)N1CCCCc2ccccc21 ZINC000905610559 980477112 /nfs/dbraw/zinc/47/71/12/980477112.db2.gz SQKHZYPKCCFDOK-IBGZPJMESA-N 1 0 369.421 2.587 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@@H]1CCOc2c(F)cccc21 ZINC000905644140 980483240 /nfs/dbraw/zinc/48/32/40/980483240.db2.gz NHIZCPIZKGLMGW-SWLSCSKDSA-N 1 0 362.357 2.587 20 5 FFBDRO CC(C)c1ccc(CN2CCC([NH+]3CCN(C)CC3)CC2)cc1[N+](=O)[O-] ZINC000877747523 1014706895 /nfs/dbraw/zinc/70/68/95/1014706895.db2.gz PBUMNRIGQYPCRI-UHFFFAOYSA-N 1 0 360.502 2.930 20 5 FFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@](C)(O)c1ccccc1 ZINC000169142986 981658405 /nfs/dbraw/zinc/65/84/05/981658405.db2.gz ADWLLOUTXPJERB-IFXJQAMLSA-N 1 0 357.410 2.809 20 5 FFBDRO CC[N@@H+]1CCCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)[C@H](C)C1 ZINC000910295970 981903229 /nfs/dbraw/zinc/90/32/29/981903229.db2.gz QOXMRKIKDSEQIA-MRXNPFEDSA-N 1 0 374.485 2.754 20 5 FFBDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)c3cc4ccccc4c([N+](=O)[O-])c3N)C2)C1 ZINC000897848807 982536683 /nfs/dbraw/zinc/53/66/83/982536683.db2.gz BYWBEPVMRDQHOF-FQEVSTJZSA-N 1 0 368.437 2.888 20 5 FFBDRO C[C@@H]1CCC[C@@H](C)[NH+]1CC(N)=NOCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000842048563 982643893 /nfs/dbraw/zinc/64/38/93/982643893.db2.gz CPWLXQKHIXJMGB-VXGBXAGGSA-N 1 0 365.390 2.764 20 5 FFBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]Cc1ccc(-n2cncn2)nc1)C1CC1 ZINC000764955988 984863153 /nfs/dbraw/zinc/86/31/53/984863153.db2.gz PVAWXEFLYMJIDZ-QGZVFWFLSA-N 1 0 364.409 2.681 20 5 FFBDRO CCCC(=O)NC[C@H]1CCC[N@H+](Cn2nc(C)c3cc([N+](=O)[O-])ccc32)C1 ZINC000764967876 984895731 /nfs/dbraw/zinc/89/57/31/984895731.db2.gz YFOTVPCSTWMPOM-OAHLLOKOSA-N 1 0 373.457 2.839 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CCCCO)CC2)nc1-c1ccccc1 ZINC000761228101 984941912 /nfs/dbraw/zinc/94/19/12/984941912.db2.gz IQXKXHFKSLVYGB-UHFFFAOYSA-N 1 0 356.426 2.551 20 5 FFBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000646474577 986381878 /nfs/dbraw/zinc/38/18/78/986381878.db2.gz YCKIENPYJSZBRC-QAPCUYQASA-N 1 0 363.461 2.706 20 5 FFBDRO O=[N+]([O-])c1cnn(CN2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000914565917 987792487 /nfs/dbraw/zinc/79/24/87/987792487.db2.gz JSLWESTZOUOHFJ-UHFFFAOYSA-N 1 0 369.347 2.585 20 5 FFBDRO Cc1c([N+](=O)[O-])cc(C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000915297297 988395305 /nfs/dbraw/zinc/39/53/05/988395305.db2.gz BTKLAYIHWXVVEZ-NWDGAFQWSA-N 1 0 364.402 2.804 20 5 FFBDRO O=[N+]([O-])c1cnn(CN2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000762498665 988414524 /nfs/dbraw/zinc/41/45/24/988414524.db2.gz ACMQDTQYUOUZAZ-UHFFFAOYSA-N 1 0 355.442 2.737 20 5 FFBDRO COc1ccc(-c2ccc(C[NH2+]C[C@@H]3C[C@@H]4COC[C@@H]4O3)o2)c([N+](=O)[O-])c1 ZINC000922726194 988846375 /nfs/dbraw/zinc/84/63/75/988846375.db2.gz SJZJKCJIDWHXQT-YFROIQMUSA-N 1 0 374.393 2.757 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H]1[C@@H](O)c1ccccc1 ZINC000879244543 1015434565 /nfs/dbraw/zinc/43/45/65/1015434565.db2.gz QZKMEIVRRIXDRB-POAQFYNOSA-N 1 0 372.421 2.533 20 5 FFBDRO CC(C)[C@H](C)NC(=O)C1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000153833545 989734902 /nfs/dbraw/zinc/73/49/02/989734902.db2.gz YZRXDZBDYNQQOR-KSSFIOAISA-N 1 0 363.458 2.501 20 5 FFBDRO COc1ccccc1[C@H](O)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000130605614 990465829 /nfs/dbraw/zinc/46/58/29/990465829.db2.gz AXUAZYXSWHHHCY-LJQANCHMSA-N 1 0 371.437 2.895 20 5 FFBDRO O=[N+]([O-])c1cccc([C@@H](O)CN(Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)c1 ZINC000923337155 991075788 /nfs/dbraw/zinc/07/57/88/991075788.db2.gz XFRKRKIIGGDCJM-QUCCMNQESA-N 1 0 370.453 2.668 20 5 FFBDRO Cc1ccc(NCCCNC(=O)C[C@@H](C)[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000237623322 991289829 /nfs/dbraw/zinc/28/98/29/991289829.db2.gz GRSSTWFPZXIBJV-CVEARBPZSA-N 1 0 362.474 2.847 20 5 FFBDRO C[NH+]1CCN(c2ccccc2-c2noc(-c3ccc([N+](=O)[O-])o3)n2)CC1 ZINC001212570312 991319853 /nfs/dbraw/zinc/31/98/53/991319853.db2.gz YCQGAFZVTLAVLQ-UHFFFAOYSA-N 1 0 355.354 2.657 20 5 FFBDRO Cc1c(C(=O)NC[C@H](C)C[NH+]2CCCCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000068115518 991336186 /nfs/dbraw/zinc/33/61/86/991336186.db2.gz VSESRXAMFMYCFS-LBPRGKRZSA-N 1 0 364.402 2.663 20 5 FFBDRO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000068964554 991554875 /nfs/dbraw/zinc/55/48/75/991554875.db2.gz PBCIAAFSNOMPBT-LSDHHAIUSA-N 1 0 373.457 2.919 20 5 FFBDRO C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N)CC[N@@H+]1Cc1ccccc1 ZINC000184481518 992778874 /nfs/dbraw/zinc/77/88/74/992778874.db2.gz BRQKVODVEXURBL-GDBMZVCRSA-N 1 0 368.437 2.960 20 5 FFBDRO O=C(COc1cccc([N+](=O)[O-])c1)NC[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC001132400115 994873805 /nfs/dbraw/zinc/87/38/05/994873805.db2.gz CMQKFSAWAKQCER-KRWDZBQOSA-N 1 0 361.442 2.887 20 5 FFBDRO C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC001133729265 995676097 /nfs/dbraw/zinc/67/60/97/995676097.db2.gz TWLGXHKYYNPLMS-QZDDGCDVSA-N 1 0 352.394 2.740 20 5 FFBDRO COC[C@]1(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)OCCc2ccccc21 ZINC001206078236 1032135129 /nfs/dbraw/zinc/13/51/29/1032135129.db2.gz RYHPDOABYMCTMZ-FQEVSTJZSA-N 1 0 356.422 2.842 20 5 FFBDRO Nc1ccc(NC(=O)NC2CC[NH+](CC3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000823974996 996771251 /nfs/dbraw/zinc/77/12/51/996771251.db2.gz YCLOZOQACSTLNZ-UHFFFAOYSA-N 1 0 361.446 2.953 20 5 FFBDRO O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825400044 997361124 /nfs/dbraw/zinc/36/11/24/997361124.db2.gz ICYZXLVDPYXORM-LJQANCHMSA-N 1 0 369.421 2.905 20 5 FFBDRO CC(C)C[C@H]1CC[N@H+](CN2C(=O)N[C@@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000744437106 999856476 /nfs/dbraw/zinc/85/64/76/999856476.db2.gz GUBSHIPGRUNEQI-KUHUBIRLSA-N 1 0 374.441 2.687 20 5 FFBDRO CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]([NH2+][C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@@H]2C1 ZINC001168965053 1000013212 /nfs/dbraw/zinc/01/32/12/1000013212.db2.gz XPMQAGBCWOINFC-IBEHDNSVSA-N 1 0 353.463 2.667 20 5 FFBDRO O=C(N[C@H]1CC[C@H]([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1)c1ccccc1F ZINC001168997765 1000014211 /nfs/dbraw/zinc/01/42/11/1000014211.db2.gz FPDBPHAIKBKAAA-VGWMRTNUSA-N 1 0 363.433 2.902 20 5 FFBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C2CCN(Cc3cccc(F)c3F)CC2)C1 ZINC001168997344 1000014321 /nfs/dbraw/zinc/01/43/21/1000014321.db2.gz YVFZMTGYJBFOIC-CZUORRHYSA-N 1 0 353.413 2.964 20 5 FFBDRO O=C1Nc2ccccc2CN1C1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169030070 1000016074 /nfs/dbraw/zinc/01/60/74/1000016074.db2.gz VXIJELOZYHVDOJ-RHSMWYFYSA-N 1 0 358.442 2.944 20 5 FFBDRO O=C(c1ccco1)N1CCCC12CC[NH+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169022769 1000017908 /nfs/dbraw/zinc/01/79/08/1000017908.db2.gz SNLCJOBKDISHAC-JKSUJKDBSA-N 1 0 361.442 2.796 20 5 FFBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2CCc3ncnc(-c4ccccc4)c3CC2)C1 ZINC001169024873 1000018078 /nfs/dbraw/zinc/01/80/78/1000018078.db2.gz RWTBWFNMDFWFFV-DOTOQJQBSA-N 1 0 352.438 2.990 20 5 FFBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCc3ncnc(-c4ccccc4)c3CC2)C1 ZINC001169024876 1000018095 /nfs/dbraw/zinc/01/80/95/1000018095.db2.gz RWTBWFNMDFWFFV-WBVHZDCISA-N 1 0 352.438 2.990 20 5 FFBDRO COC(=O)c1ccc(OC2CC[NH+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)cc1 ZINC001169026583 1000018111 /nfs/dbraw/zinc/01/81/11/1000018111.db2.gz NAMOUGYHCJPARM-GDBMZVCRSA-N 1 0 362.426 2.762 20 5 FFBDRO CN1Cc2ccccc2CC2(CC[NH+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)C1=O ZINC001169026488 1000018235 /nfs/dbraw/zinc/01/82/35/1000018235.db2.gz XOZUYPDHBNTMQT-VQIMIIECSA-N 1 0 371.481 2.729 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])ncc1N[C@@H]1CC(C)(C)C[C@](C)(C[NH3+])C1 ZINC001169154918 1000028277 /nfs/dbraw/zinc/02/82/77/1000028277.db2.gz ZLABKQHRBBLKER-PIGZYNQJSA-N 1 0 350.419 2.732 20 5 FFBDRO CC(=O)Nc1cc(-n2ccc([C@@H](C)[NH3+])n2)c([N+](=O)[O-])cc1Br ZINC001169235556 1000031317 /nfs/dbraw/zinc/03/13/17/1000031317.db2.gz XEQLGAUYMIQDRA-SSDOTTSWSA-N 1 0 368.191 2.521 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(OC(C)C)cc1NCc1ncn2c1C[NH2+]CCC2 ZINC001169245034 1000034342 /nfs/dbraw/zinc/03/43/42/1000034342.db2.gz RFLYKAXGPYGMLG-UHFFFAOYSA-N 1 0 359.430 2.992 20 5 FFBDRO CCOC(=O)C[C@H](Nc1cc2c(cc1[N+](=O)[O-])C[NH2+]C2)c1cccnc1 ZINC001169675494 1000070317 /nfs/dbraw/zinc/07/03/17/1000070317.db2.gz BXBWDFFBDZJKEZ-HNNXBMFYSA-N 1 0 356.382 2.699 20 5 FFBDRO C[C@]1(NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC[N@H+](Cc2ccccc2)C1 ZINC000846593788 1000382621 /nfs/dbraw/zinc/38/26/21/1000382621.db2.gz SOBXUOHAEKWUDW-IBGZPJMESA-N 1 0 372.400 2.711 20 5 FFBDRO Cc1c(CO)cc([N+](=O)[O-])c(NCC2CC[NH+](C3CC3)CC2)c1[N+](=O)[O-] ZINC000770176399 1000704481 /nfs/dbraw/zinc/70/44/81/1000704481.db2.gz BCUHNNNYGKKVGE-UHFFFAOYSA-N 1 0 364.402 2.590 20 5 FFBDRO COc1cc(NCc2ccccc2N2CC[NH2+]CC2)cc([N+](=O)[O-])c1C ZINC001171283938 1000745992 /nfs/dbraw/zinc/74/59/92/1000745992.db2.gz PLUBDWAMQGBHAW-UHFFFAOYSA-N 1 0 356.426 2.934 20 5 FFBDRO C[C@@H]1CN(Cc2ccccc2)[C@@H](C)CN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000787194074 1001674461 /nfs/dbraw/zinc/67/44/61/1001674461.db2.gz ZBLYWHSTDNQAPE-LSDHHAIUSA-N 1 0 368.437 2.912 20 5 FFBDRO C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000788260678 1001780093 /nfs/dbraw/zinc/78/00/93/1001780093.db2.gz FGNVTEMZBCSQAK-MRXNPFEDSA-N 1 0 360.458 2.508 20 5 FFBDRO Cc1ccc(C(=O)NCC[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1F ZINC000788517793 1001816511 /nfs/dbraw/zinc/81/65/11/1001816511.db2.gz DVYCDKKGPBPRRV-GFCCVEGCSA-N 1 0 360.389 2.705 20 5 FFBDRO COc1cc(OC)cc(OCC[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000788666674 1001846008 /nfs/dbraw/zinc/84/60/08/1001846008.db2.gz DMNKUZVGTGRTIS-LBPRGKRZSA-N 1 0 361.398 2.924 20 5 FFBDRO CCNC(=O)C[C@@H]1CCCC[N@@H+]1Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000789522666 1002106806 /nfs/dbraw/zinc/10/68/06/1002106806.db2.gz XEAYVZLITMPPDR-KRWDZBQOSA-N 1 0 371.441 2.797 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ncn(C[NH+]3CCC4(CCOCC4)CC3)n2)cc1 ZINC000789531751 1002108512 /nfs/dbraw/zinc/10/85/12/1002108512.db2.gz UEPDCAVJINLDBY-UHFFFAOYSA-N 1 0 357.414 2.703 20 5 FFBDRO COC(=O)c1ccc(C[NH2+][C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])nc1 ZINC001170318695 1003107886 /nfs/dbraw/zinc/10/78/86/1003107886.db2.gz RUKWZIOILUAASR-LBPRGKRZSA-N 1 0 359.382 2.506 20 5 FFBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2cc(OC(C)C)ncn2)c([N+](=O)[O-])c1 ZINC001170324649 1003113061 /nfs/dbraw/zinc/11/30/61/1003113061.db2.gz RYNAQICXEHUWRA-CYBMUJFWSA-N 1 0 360.414 2.901 20 5 FFBDRO COc1ccc(C[C@H](C)Nc2ccc([C@@H](C[NH3+])CO)cc2)c([N+](=O)[O-])c1 ZINC001170327466 1003114538 /nfs/dbraw/zinc/11/45/38/1003114538.db2.gz RVXDGHCAIZJNFS-BBRMVZONSA-N 1 0 359.426 2.681 20 5 FFBDRO COC(=O)[C@H]1CC[C@H]([NH2+][C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC001170309332 1003119594 /nfs/dbraw/zinc/11/95/94/1003119594.db2.gz QDGNJYMZIDJUPU-UMVBOHGHSA-N 1 0 350.415 2.856 20 5 FFBDRO COc1ccc(C[C@@H](C)N(c2cnccn2)C2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC001170354682 1003122367 /nfs/dbraw/zinc/12/23/67/1003122367.db2.gz NXWKBQFEDIZWCM-CQSZACIVSA-N 1 0 371.441 2.583 20 5 FFBDRO COC(=O)[C@@H]1C[C@H](C)C[N@@H+]([C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170345426 1003131799 /nfs/dbraw/zinc/13/17/99/1003131799.db2.gz KIIIUASYEWWOGH-KCQAQPDRSA-N 1 0 350.415 2.665 20 5 FFBDRO COc1ccc(C[C@@H](C)[N@@H+]2CCC[C@@H](Oc3cnccn3)C2)c([N+](=O)[O-])c1 ZINC001170351240 1003136724 /nfs/dbraw/zinc/13/67/24/1003136724.db2.gz BQLDCTXCJDZQON-RHSMWYFYSA-N 1 0 372.425 2.868 20 5 FFBDRO CN(c1ccc([N+](=O)[O-])cc1C(=O)NC1CC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000804814949 1003861926 /nfs/dbraw/zinc/86/19/26/1003861926.db2.gz LMBYHMCDULTFRW-MZBDJJRSSA-N 1 0 358.442 2.548 20 5 FFBDRO C[N@@H+]1CC[C@@H]2CN(Cc3ccc(Br)cc3[N+](=O)[O-])C[C@@H]2C1 ZINC001196788857 1003955387 /nfs/dbraw/zinc/95/53/87/1003955387.db2.gz DCNVLZYNFFYUHP-YPMHNXCESA-N 1 0 354.248 2.741 20 5 FFBDRO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC001196773855 1003965842 /nfs/dbraw/zinc/96/58/42/1003965842.db2.gz UVECIKVIHAXGBK-KBPBESRZSA-N 1 0 365.430 2.961 20 5 FFBDRO C[C@H]([NH2+][C@@H]1CCCn2nccc21)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC001197240054 1004136439 /nfs/dbraw/zinc/13/64/39/1004136439.db2.gz SCTVFHDVFXMVSP-IINYFYTJSA-N 1 0 363.805 2.896 20 5 FFBDRO CCOC(=O)C1=C(Nc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)CC[NH2+]C1 ZINC001170516437 1004490846 /nfs/dbraw/zinc/49/08/46/1004490846.db2.gz CLQIMSKUXPBDBU-UHFFFAOYSA-N 1 0 359.304 2.836 20 5 FFBDRO CC[C@]1(C(=O)OC(C)(C)C)CCC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC001198310474 1004588665 /nfs/dbraw/zinc/58/86/65/1004588665.db2.gz QPXMPLACSPNXNL-SFHVURJKSA-N 1 0 366.462 2.934 20 5 FFBDRO CC[C@@H](C)[NH2+][C@H](CNC(=O)c1cc(C)cc([N+](=O)[O-])c1N)c1ccco1 ZINC000807680357 1004661082 /nfs/dbraw/zinc/66/10/82/1004661082.db2.gz PGRDYJGHLZSGFH-TZMCWYRMSA-N 1 0 360.414 2.938 20 5 FFBDRO CCc1nn(C)c(Nc2cccc3c2CC[N@H+](CC(C)(C)O)C3)c1[N+](=O)[O-] ZINC000808015533 1004738257 /nfs/dbraw/zinc/73/82/57/1004738257.db2.gz RPCUPQICJFPNLA-UHFFFAOYSA-N 1 0 373.457 2.763 20 5 FFBDRO CC1([NH+]2CCCC2)CCC(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001194969415 1004856000 /nfs/dbraw/zinc/85/60/00/1004856000.db2.gz MWTDPYZGSBBPBI-UHFFFAOYSA-N 1 0 367.471 2.670 20 5 FFBDRO COc1cc(C[NH2+]CCc2cccc(OC)c2OC)c([N+](=O)[O-])cc1O ZINC001199413787 1004936232 /nfs/dbraw/zinc/93/62/32/1004936232.db2.gz QNTLLJBQXZJSPK-UHFFFAOYSA-N 1 0 362.382 2.659 20 5 FFBDRO C[C@@H]1CC[C@H](C(N)=O)[C@H](C)[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Br ZINC001195595669 1004995402 /nfs/dbraw/zinc/99/54/02/1004995402.db2.gz GFIJWSIQWBJRIE-NRUUGDAUSA-N 1 0 370.247 2.832 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CC2(c3ccccc3)CCOCC2)cc1 ZINC000776275657 1005341646 /nfs/dbraw/zinc/34/16/46/1005341646.db2.gz GQPOOPTWIDTWKR-IBGZPJMESA-N 1 0 356.422 2.966 20 5 FFBDRO Cc1ccc(C)c(C[NH2+]C[C@H]2CC[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 ZINC001050326316 1016971102 /nfs/dbraw/zinc/97/11/02/1016971102.db2.gz XFUWKQIJWJHAIG-NXWXRZEISA-N 1 0 359.470 2.733 20 5 FFBDRO Cn1ncc(C2CC2)c1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000850535063 1005820866 /nfs/dbraw/zinc/82/08/66/1005820866.db2.gz QIXGTMLOXBRPJD-UHFFFAOYSA-N 1 0 355.442 2.964 20 5 FFBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000850720742 1005834566 /nfs/dbraw/zinc/83/45/66/1005834566.db2.gz GXPPTEKAOLWGLZ-HNNXBMFYSA-N 1 0 360.458 2.513 20 5 FFBDRO COc1cc2c(cc1OC)CC[NH+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000776577891 1005957157 /nfs/dbraw/zinc/95/71/57/1005957157.db2.gz ABPRVAFURNVOCY-SFHVURJKSA-N 1 0 372.421 2.746 20 5 FFBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000881469535 1006114632 /nfs/dbraw/zinc/11/46/32/1006114632.db2.gz JZUYMMFJLZNKTM-OAHLLOKOSA-N 1 0 373.409 2.714 20 5 FFBDRO CO[C@@]1(C)C[C@@H](N(C)Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)C1(C)C ZINC000853499103 1006415649 /nfs/dbraw/zinc/41/56/49/1006415649.db2.gz IRNCLZAGVWWQEH-QAPCUYQASA-N 1 0 359.430 2.946 20 5 FFBDRO C[C@@H]1CN(c2ncnc3cccc([N+](=O)[O-])c32)CCN1c1cc[nH+]cc1 ZINC000882821241 1006518784 /nfs/dbraw/zinc/51/87/84/1006518784.db2.gz PFTFCPIAVKNRSA-CYBMUJFWSA-N 1 0 350.382 2.648 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@@H](CO)Cc3ccoc3)CC2)cc1 ZINC000883278283 1006726486 /nfs/dbraw/zinc/72/64/86/1006726486.db2.gz PPNPENFHUKGWNB-INIZCTEOSA-N 1 0 359.426 2.597 20 5 FFBDRO O=C1NCCN1c1ccc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000883287004 1006734732 /nfs/dbraw/zinc/73/47/32/1006734732.db2.gz IOXBLQWZUCALJW-KRWDZBQOSA-N 1 0 352.394 2.902 20 5 FFBDRO Cn1ccnc1[C@H]([NH2+]C1CCC2(COC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000883382699 1006772663 /nfs/dbraw/zinc/77/26/63/1006772663.db2.gz LRBBUPIBBXTWNH-QGZVFWFLSA-N 1 0 356.426 2.967 20 5 FFBDRO C[C@H]1[C@@H](OC(=O)CCn2cc([N+](=O)[O-])cn2)CCC[N@@H+]1Cc1ccccc1 ZINC000816468353 1007051628 /nfs/dbraw/zinc/05/16/28/1007051628.db2.gz FWSZBMFVKUVYBS-YJBOKZPZSA-N 1 0 372.425 2.778 20 5 FFBDRO CCCCCCNC(=O)[C@@H]1CCCN(Cn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000133132611 1007071584 /nfs/dbraw/zinc/07/15/84/1007071584.db2.gz PVHWKQXSBUFYHY-MRXNPFEDSA-N 1 0 365.478 2.774 20 5 FFBDRO Cc1c(C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000855166673 1007149343 /nfs/dbraw/zinc/14/93/43/1007149343.db2.gz NXPGZWINGLZVEM-LBPRGKRZSA-N 1 0 364.402 2.722 20 5 FFBDRO O=[N+]([O-])c1cnc(N2CCC[C@H]([NH2+]C3CCOCC3)C2)c2ccccc21 ZINC000884580884 1007483361 /nfs/dbraw/zinc/48/33/61/1007483361.db2.gz OECCZLBZGJFGLX-HNNXBMFYSA-N 1 0 356.426 2.880 20 5 FFBDRO CC[NH+]1CCC(N2CCCN(Cc3cc(F)ccc3[N+](=O)[O-])CC2)CC1 ZINC000817286405 1007510513 /nfs/dbraw/zinc/51/05/13/1007510513.db2.gz ULLUVJONLKOXRJ-UHFFFAOYSA-N 1 0 364.465 2.726 20 5 FFBDRO C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000817288623 1007510581 /nfs/dbraw/zinc/51/05/81/1007510581.db2.gz JUFLLAHKEMXUEE-FRFSOERESA-N 1 0 364.442 2.928 20 5 FFBDRO CC1(C)CC(NC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)CC(C)(C)[NH2+]1 ZINC001136017687 1007773087 /nfs/dbraw/zinc/77/30/87/1007773087.db2.gz DBXGLHISCASISZ-UHFFFAOYSA-N 1 0 354.838 2.869 20 5 FFBDRO CCc1noc(C[C@@]2(O)CCC[N@@H+]([C@H](C)c3cc([N+](=O)[O-])ccc3C)C2)n1 ZINC000856677257 1007943856 /nfs/dbraw/zinc/94/38/56/1007943856.db2.gz NCTHIZYSVVPLQS-KUHUBIRLSA-N 1 0 374.441 2.979 20 5 FFBDRO O=C1CCCN1Cc1cccc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000818956874 1007993524 /nfs/dbraw/zinc/99/35/24/1007993524.db2.gz APEGOYLJFPGETI-LJQANCHMSA-N 1 0 369.421 2.540 20 5 FFBDRO CC[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1nnc2n1CCCCC2 ZINC000819003728 1008005938 /nfs/dbraw/zinc/00/59/38/1008005938.db2.gz GVFKOFCSTQMKKQ-HOTGVXAUSA-N 1 0 359.430 2.687 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H]2CCN(c3ccc(F)cc3F)C2)cc1 ZINC000819033952 1008027256 /nfs/dbraw/zinc/02/72/56/1008027256.db2.gz UYHNIFKFGBYQHT-KDOFPFPSSA-N 1 0 363.364 2.775 20 5 FFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H]2CCN(c3ccc(F)cc3F)C2)c1 ZINC000819033933 1008028083 /nfs/dbraw/zinc/02/80/83/1008028083.db2.gz UMDXEPZIJWOQDY-KDOFPFPSSA-N 1 0 363.364 2.775 20 5 FFBDRO CN(C)[C@@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1c(F)cccc1F ZINC000819073016 1008037350 /nfs/dbraw/zinc/03/73/50/1008037350.db2.gz KVYGOKAEHGLVQA-IRXDYDNUSA-N 1 0 365.380 2.799 20 5 FFBDRO CC(C)[C@@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)NC(=O)OC(C)(C)C ZINC000819077712 1008038048 /nfs/dbraw/zinc/03/80/48/1008038048.db2.gz NTKFKTCPTRFSST-CVEARBPZSA-N 1 0 367.446 2.767 20 5 FFBDRO C[C@H](c1ccncc1)N1CCC([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000819183518 1008060387 /nfs/dbraw/zinc/06/03/87/1008060387.db2.gz PQODVHIDTWTWCD-FOIQADDNSA-N 1 0 370.453 2.838 20 5 FFBDRO O=C(Nc1ccccc1)N1CC[C@@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819294291 1008087432 /nfs/dbraw/zinc/08/74/32/1008087432.db2.gz KIBWAOZKWZBROO-SJLPKXTDSA-N 1 0 370.409 2.524 20 5 FFBDRO Cc1cc(NC[C@H](O)c2ccc([N+](=O)[O-])cc2)ccc1OCC[NH+](C)C ZINC000819491907 1008155052 /nfs/dbraw/zinc/15/50/52/1008155052.db2.gz RUWHWWGIKWLFNW-SFHVURJKSA-N 1 0 359.426 2.989 20 5 FFBDRO C[NH+](C)[C@@H]1CCc2ccccc2N(C(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000857930797 1008249968 /nfs/dbraw/zinc/24/99/68/1008249968.db2.gz IBEHBJVQBBVYPJ-MRXNPFEDSA-N 1 0 369.421 2.883 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000821142805 1008419482 /nfs/dbraw/zinc/41/94/82/1008419482.db2.gz GIOJQHOXDOAWEQ-USXIJHARSA-N 1 0 361.442 2.535 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@@H](O)Cc2ccc(F)cc2)n1 ZINC000886677573 1008812406 /nfs/dbraw/zinc/81/24/06/1008812406.db2.gz ZDQPSOPJWUADFZ-GVDBMIGSSA-N 1 0 362.405 2.607 20 5 FFBDRO CCC1([NH+]2CCC2)CCN(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000886713178 1008838626 /nfs/dbraw/zinc/83/86/26/1008838626.db2.gz VXKGHNUZJRJLFN-UHFFFAOYSA-N 1 0 360.458 2.792 20 5 FFBDRO O=C(NCCCCCC[NH2+]Cc1sccc1Cl)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001178458544 1008994775 /nfs/dbraw/zinc/99/47/75/1008994775.db2.gz KYNWPZAGENJROU-DGCLKSJQSA-N 1 0 359.879 2.833 20 5 FFBDRO C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)[C@H]1c1ccccc1 ZINC000823956530 1009277502 /nfs/dbraw/zinc/27/75/02/1009277502.db2.gz SKSUWUJSSLDTLM-NVXWUHKLSA-N 1 0 355.398 2.744 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001180310573 1009624949 /nfs/dbraw/zinc/62/49/49/1009624949.db2.gz LFIFIXNPHOIQJR-XBXGTLAGSA-N 1 0 365.430 2.996 20 5 FFBDRO C[NH+]1CCC2(CCN2C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CC1 ZINC000889225754 1009871649 /nfs/dbraw/zinc/87/16/49/1009871649.db2.gz DRJRRFUYNALZEH-UHFFFAOYSA-N 1 0 358.442 2.505 20 5 FFBDRO COC(=O)c1c(C)c([N+](=O)[O-])ccc1N1c2ccccc2OC[C@@H]1C[NH3+] ZINC001171395253 1009878257 /nfs/dbraw/zinc/87/82/57/1009878257.db2.gz DLJYVRQIHHKQJO-LBPRGKRZSA-N 1 0 357.366 2.548 20 5 FFBDRO O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000863035249 1010091905 /nfs/dbraw/zinc/09/19/05/1010091905.db2.gz UNUNJBKXXUSJEE-KRWDZBQOSA-N 1 0 372.469 2.942 20 5 FFBDRO C/C=C\C[C@H]1CCC[N@H+](CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000863340367 1010185811 /nfs/dbraw/zinc/18/58/11/1010185811.db2.gz KFZQAXRZBWIYJQ-GWQWAINWSA-N 1 0 372.425 2.999 20 5 FFBDRO Cc1cc(NCC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)nc(C(C)C)n1 ZINC000863575164 1010260336 /nfs/dbraw/zinc/26/03/36/1010260336.db2.gz FSFKQHFRXFPAFQ-INIZCTEOSA-N 1 0 359.430 2.552 20 5 FFBDRO O=[N+]([O-])c1ccccc1Cc1noc(Cc2cccc3c2CC[NH2+]C3)n1 ZINC000863658312 1010277230 /nfs/dbraw/zinc/27/72/30/1010277230.db2.gz LDPYJPNMLMEHBE-UHFFFAOYSA-N 1 0 350.378 2.805 20 5 FFBDRO CC(C)[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H](O)c1ccccc1 ZINC000794604645 1010437485 /nfs/dbraw/zinc/43/74/85/1010437485.db2.gz MPHUJTGABIMHET-MSOLQXFVSA-N 1 0 357.410 2.542 20 5 FFBDRO CCCNC(=O)CN1CCC(Nc2ccc([N+](=O)[O-])cc2C(F)F)CC1 ZINC000865443335 1010786557 /nfs/dbraw/zinc/78/65/57/1010786557.db2.gz YVJDHCHVPWUIPG-UHFFFAOYSA-N 1 0 370.400 2.935 20 5 FFBDRO C[NH+](C)Cc1cc(CNC(=O)Cc2cccc(F)c2[N+](=O)[O-])ccc1F ZINC000865894667 1010884249 /nfs/dbraw/zinc/88/42/49/1010884249.db2.gz WEYIYQFEHRIGOF-UHFFFAOYSA-N 1 0 363.364 2.794 20 5 FFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1CCO[C@H](c2nccn2C)C1 ZINC000866368453 1010984805 /nfs/dbraw/zinc/98/48/05/1010984805.db2.gz CIIOEVPVPRYGRZ-PVUWLOKVSA-N 1 0 362.405 2.908 20 5 FFBDRO Cn1cc(CC[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c2cccnc21 ZINC000866574357 1011018595 /nfs/dbraw/zinc/01/85/95/1011018595.db2.gz VCLHZBFHAOTQMG-IAGOWNOFSA-N 1 0 368.441 2.994 20 5 FFBDRO C[NH+]1CCC(n2cc(NC(=O)[C@H]3C[C@@H]3c3cccc([N+](=O)[O-])c3)cn2)CC1 ZINC000828097815 1032596928 /nfs/dbraw/zinc/59/69/28/1032596928.db2.gz GNSOXLQOGHEOIQ-MSOLQXFVSA-N 1 0 369.425 2.800 20 5 FFBDRO Cc1ncc(CO)c(C[NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)c1O ZINC001172901998 1012075528 /nfs/dbraw/zinc/07/55/28/1012075528.db2.gz SEYUELIQAOUNGB-MRXNPFEDSA-N 1 0 357.410 2.533 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]C1CCN(c3ccncn3)CC1)CC2 ZINC001172908668 1012081687 /nfs/dbraw/zinc/08/16/87/1012081687.db2.gz YJQIZDRAEOYMPM-KRWDZBQOSA-N 1 0 367.453 2.891 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH2+][C@H]3CN4CCC3CC4)CC2)c(F)c1 ZINC001173005552 1012173217 /nfs/dbraw/zinc/17/32/17/1012173217.db2.gz HSFZJRLMPGQJGM-KRWDZBQOSA-N 1 0 366.412 2.526 20 5 FFBDRO Cc1ccnc(C[NH2+]C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)n1 ZINC001173005574 1012173560 /nfs/dbraw/zinc/17/35/60/1012173560.db2.gz IDNWSZIXONPCPU-UHFFFAOYSA-N 1 0 363.368 2.730 20 5 FFBDRO CCN1CC[C@@H]([NH2+]C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)C1 ZINC001173008832 1012176208 /nfs/dbraw/zinc/17/62/08/1012176208.db2.gz JUWFIPJBKSQWIR-CYBMUJFWSA-N 1 0 354.401 2.526 20 5 FFBDRO C[C@@H]1COCC[C@H]1[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173008552 1012176912 /nfs/dbraw/zinc/17/69/12/1012176912.db2.gz BLMDSZWLOLOOID-BDJLRTHQSA-N 1 0 355.385 2.856 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH2+]C[C@@H]3CCC[C@H](O)C3)CC2)c(F)c1 ZINC001173010053 1012178610 /nfs/dbraw/zinc/17/86/10/1012178610.db2.gz QXYSTINTBYWSRB-DOMZBBRYSA-N 1 0 369.412 2.983 20 5 FFBDRO C[C@H]1CCC[N@H+](C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)[C@@H]1CO ZINC001173009676 1012179293 /nfs/dbraw/zinc/17/92/93/1012179293.db2.gz HAAJSOCHXHKDPK-YVEFUNNKSA-N 1 0 369.412 2.935 20 5 FFBDRO COC[C@@H]([NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1)C1CC1 ZINC001173011755 1012181182 /nfs/dbraw/zinc/18/11/82/1012181182.db2.gz JDFMYYKZDHKJQK-MRXNPFEDSA-N 1 0 355.385 2.856 20 5 FFBDRO C[NH+](C)[C@@H]1CCCN(C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)C1 ZINC001173013814 1012183354 /nfs/dbraw/zinc/18/33/54/1012183354.db2.gz YEZXTQJCAUDHGY-CQSZACIVSA-N 1 0 368.428 2.868 20 5 FFBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)c2cc(F)cc3c2[nH]c2ccc(F)cc2c3=O)C1 ZINC000646954874 1012298881 /nfs/dbraw/zinc/29/88/81/1012298881.db2.gz DIQLZRNJIQEFLV-WDEREUQCSA-N 1 0 371.387 2.769 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CC(=O)NC2CCCCC2)c1F ZINC001173176420 1012320034 /nfs/dbraw/zinc/32/00/34/1012320034.db2.gz HAXLYGCENGPHFU-GFCCVEGCSA-N 1 0 367.421 2.712 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CCC(=O)OC(C)(C)C)c1F ZINC001173176486 1012320107 /nfs/dbraw/zinc/32/01/07/1012320107.db2.gz JOBXMBXENCMEGV-LLVKDONJSA-N 1 0 356.394 2.995 20 5 FFBDRO COC(=O)[C@@H]1CC[C@@H](C)[N@@H+]([C@@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C1 ZINC001173180473 1012324839 /nfs/dbraw/zinc/32/48/39/1012324839.db2.gz KZVXTUDAZFPCSF-FRRDWIJNSA-N 1 0 368.405 2.947 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CC[C@@H]([N@H+](C)C3CC3)C2)c1F ZINC001173192119 1012334787 /nfs/dbraw/zinc/33/47/87/1012334787.db2.gz IGMNMOLOKYITOV-TZMCWYRMSA-N 1 0 351.422 2.842 20 5 FFBDRO CCOC(=O)C1(N[C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CC[NH+](CC)CC1 ZINC001173221354 1012352006 /nfs/dbraw/zinc/35/20/06/1012352006.db2.gz MLAHEJRGFZBTNY-HNNXBMFYSA-N 1 0 363.458 2.533 20 5 FFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H]2CCN(C(=O)c3ccco3)[C@@H]2C1 ZINC001173223266 1012354891 /nfs/dbraw/zinc/35/48/91/1012354891.db2.gz AMBURFQUUOITPN-UWWQBHOKSA-N 1 0 369.421 2.965 20 5 FFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc2c(c1)N(C)C(=O)CO2 ZINC001173229323 1012365211 /nfs/dbraw/zinc/36/52/11/1012365211.db2.gz MXEOHMMUTWAPEE-ZDUSSCGKSA-N 1 0 355.394 2.671 20 5 FFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ncc(Br)cn1 ZINC001173234587 1012365950 /nfs/dbraw/zinc/36/59/50/1012365950.db2.gz PPOAVIBPPPYNOR-JTQLQIEISA-N 1 0 351.204 2.868 20 5 FFBDRO COc1cc(C)nc(O[C@H]2CC[N@@H+]([C@H](C)Cc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC001173237127 1012383737 /nfs/dbraw/zinc/38/37/37/1012383737.db2.gz IAZCJIVNXHLWAZ-PBHICJAKSA-N 1 0 372.425 2.786 20 5 FFBDRO O=[N+]([O-])c1ccc2cnn(CN3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)c2c1 ZINC000252692209 1012630206 /nfs/dbraw/zinc/63/02/06/1012630206.db2.gz RHQVSPLPRGBJER-YJBOKZPZSA-N 1 0 355.442 2.851 20 5 FFBDRO CC[C@@H]1CCC[N@@H+]1C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001173698855 1012901642 /nfs/dbraw/zinc/90/16/42/1012901642.db2.gz RNBVPDFVAWVKTO-CQSZACIVSA-N 1 0 367.471 2.622 20 5 FFBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)CC[C@@H]21 ZINC000827330622 1017640729 /nfs/dbraw/zinc/64/07/29/1017640729.db2.gz QBULSIVHDZNGPY-CJNGLKHVSA-N 1 0 372.450 2.885 20 5 FFBDRO Cn1nc(C(F)(F)F)cc1C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000926926539 1018294231 /nfs/dbraw/zinc/29/42/31/1018294231.db2.gz BGDPQBUNROJBIE-VXGBXAGGSA-N 1 0 372.351 2.817 20 5 FFBDRO Cn1nc(C(F)(F)F)cc1C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000926926536 1018295187 /nfs/dbraw/zinc/29/51/87/1018295187.db2.gz BGDPQBUNROJBIE-NWDGAFQWSA-N 1 0 372.351 2.817 20 5 FFBDRO C[C@@H](NC(=O)C1CCC([NH+]2CCOCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000928247455 1018909178 /nfs/dbraw/zinc/90/91/78/1018909178.db2.gz VBMAGEHRWJZHAC-ODIFPOPNSA-N 1 0 361.442 2.663 20 5 FFBDRO C[C@H]1[C@H](NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)CC[N@@H+]1C ZINC000928440783 1018978182 /nfs/dbraw/zinc/97/81/82/1018978182.db2.gz KXNOHNBDRMBGSA-MGPLVRAMSA-N 1 0 371.387 2.782 20 5 FFBDRO COc1ccc(OCC[NH2+][C@@H]2CCc3ccccc3OC2)c([N+](=O)[O-])c1 ZINC000801573883 1019129823 /nfs/dbraw/zinc/12/98/23/1019129823.db2.gz QGYCBQWHHJNLDS-OAHLLOKOSA-N 1 0 358.394 2.966 20 5 FFBDRO C[N@@H+]1C[C@@H]2CN(C(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)C[C@]2(C)C1 ZINC000929834662 1019679694 /nfs/dbraw/zinc/67/96/94/1019679694.db2.gz PBDROPSBRYTOAL-HWPZZCPQSA-N 1 0 370.356 2.612 20 5 FFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](C[C@H]3CCC[C@H](C(F)(F)F)O3)C2)nc1 ZINC000929989945 1019795682 /nfs/dbraw/zinc/79/56/82/1019795682.db2.gz TYSHQFMLJZIBCS-MRVWCRGKSA-N 1 0 374.363 2.976 20 5 FFBDRO CC(C)C[C@@H]1C[N@H+](C)CCN1CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000902537729 1020265506 /nfs/dbraw/zinc/26/55/06/1020265506.db2.gz DJEXXCWCXNVUQC-RTBURBONSA-N 1 0 374.485 2.530 20 5 FFBDRO Cc1cc(C)cc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C3)c1 ZINC001048525122 1020276021 /nfs/dbraw/zinc/27/60/21/1020276021.db2.gz MBCKZNARQVZWDN-HKUYMTLNSA-N 1 0 371.481 2.828 20 5 FFBDRO Cc1c(NC(=O)[C@H](C)N2C[C@]3(C)C[NH+](C)C[C@@]3(C)C2)cccc1[N+](=O)[O-] ZINC000931308081 1020413810 /nfs/dbraw/zinc/41/38/10/1020413810.db2.gz RCMAMRDEEGNNET-JVPBZIDWSA-N 1 0 360.458 2.504 20 5 FFBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000931308297 1020415545 /nfs/dbraw/zinc/41/55/45/1020415545.db2.gz SLXMNQOGOUOSOC-UPRAQXHNSA-N 1 0 371.441 2.979 20 5 FFBDRO C/C(=C/C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000800651089 1020441310 /nfs/dbraw/zinc/44/13/10/1020441310.db2.gz VVNODLNCECKBLA-NOCRFKNCSA-N 1 0 373.453 2.569 20 5 FFBDRO CC[NH+]1CCC(N(C)C(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)CC1 ZINC000900518402 1020468633 /nfs/dbraw/zinc/46/86/33/1020468633.db2.gz PNTUPOIPCJJCQV-UHFFFAOYSA-N 1 0 356.426 2.887 20 5 FFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000931495361 1020489802 /nfs/dbraw/zinc/48/98/02/1020489802.db2.gz JMBBWADDUAYGRP-INIZCTEOSA-N 1 0 362.430 2.532 20 5 FFBDRO COc1cc([C@@H](C)NC2CC[NH+](C[C@@H]3CCOC3)CC2)cc([N+](=O)[O-])c1 ZINC000903098306 1020676798 /nfs/dbraw/zinc/67/67/98/1020676798.db2.gz MXXNFFNYCBVGEA-CABCVRRESA-N 1 0 363.458 2.755 20 5 FFBDRO CNC(=O)c1cccc(CC[NH2+][C@H](C)c2cc(OC)cc([N+](=O)[O-])c2)c1 ZINC000903100123 1020677837 /nfs/dbraw/zinc/67/78/37/1020677837.db2.gz QCGYGBGBEGMQJW-CYBMUJFWSA-N 1 0 357.410 2.856 20 5 FFBDRO COc1ccc(OCC[N@@H+]2CCC[C@H](c3ccn(C)n3)C2)c([N+](=O)[O-])c1 ZINC000932135480 1020716026 /nfs/dbraw/zinc/71/60/26/1020716026.db2.gz LAQAUVDIQQNVLN-AWEZNQCLSA-N 1 0 360.414 2.595 20 5 FFBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+]CCN2CCCOCC2)c2ccccc2)c1 ZINC000903228529 1020751578 /nfs/dbraw/zinc/75/15/78/1020751578.db2.gz SAFKETSANBWJPC-FQEVSTJZSA-N 1 0 355.438 2.996 20 5 FFBDRO COc1cccc([C@@H](C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)N(C)C)c1 ZINC000749639210 1021017334 /nfs/dbraw/zinc/01/73/34/1021017334.db2.gz NYUJOVXKZZTWGC-MOPGFXCFSA-N 1 0 359.426 2.529 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)CN2CCc3c(ncn3-c3ccccc3)C2)cc1 ZINC000778237364 1021187428 /nfs/dbraw/zinc/18/74/28/1021187428.db2.gz ORZJVIYWESCTMJ-HXUWFJFHSA-N 1 0 364.405 2.872 20 5 FFBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH2+][C@H]1CCOC12CCCC2 ZINC000934386050 1021215936 /nfs/dbraw/zinc/21/59/36/1021215936.db2.gz QXQNZUHWNKAXIP-INIZCTEOSA-N 1 0 361.398 2.584 20 5 FFBDRO C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC001116507940 1021252518 /nfs/dbraw/zinc/25/25/18/1021252518.db2.gz WAOLZTXNTYFOJA-OLZOCXBDSA-N 1 0 357.357 2.799 20 5 FFBDRO O=[N+]([O-])c1ccc(-n2cc(-c3nc([C@H]4C[NH+]5CCC4CC5)no3)cn2)cc1 ZINC001116612967 1021308534 /nfs/dbraw/zinc/30/85/34/1021308534.db2.gz WIBOCAIYUBPFDS-INIZCTEOSA-N 1 0 366.381 2.640 20 5 FFBDRO O=[N+]([O-])c1cc(O[C@H]2CC[C@@]23CC[NH2+]C3)ccc1I ZINC001218116383 1033003957 /nfs/dbraw/zinc/00/39/57/1033003957.db2.gz JNLWLHYXKAPJRG-STQMWFEESA-N 1 0 374.178 2.720 20 5 FFBDRO C[NH+]1CCC(n2ccc(NC(=O)[C@@H]3C[C@H]3c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000935703720 1021831572 /nfs/dbraw/zinc/83/15/72/1021831572.db2.gz WSNMBFSVNWURKH-DLBZAZTESA-N 1 0 369.425 2.800 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(C[N@@H+]2CC[C@@H](O)[C@@H](CO)C2)o1 ZINC001118013597 1022019235 /nfs/dbraw/zinc/01/92/35/1022019235.db2.gz ZQPLRMJHPIGTQV-BDJLRTHQSA-N 1 0 366.801 2.683 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1ccc(C[NH+](C)C)cc1 ZINC000750655912 1022301197 /nfs/dbraw/zinc/30/11/97/1022301197.db2.gz YGKUUKZXHNSIIH-UHFFFAOYSA-N 1 0 357.410 2.937 20 5 FFBDRO C[C@@H](Oc1cccc(N2CC[NH2+]CC2)c1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001218215933 1033054868 /nfs/dbraw/zinc/05/48/68/1033054868.db2.gz XCHADFJPUBVAMJ-CYBMUJFWSA-N 1 0 371.393 2.873 20 5 FFBDRO C[NH+](C)Cc1ccc(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)cc1F ZINC000778843942 1022431597 /nfs/dbraw/zinc/43/15/97/1022431597.db2.gz GXBKNKBMCKRTNF-UHFFFAOYSA-N 1 0 361.329 2.777 20 5 FFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCC(=O)N1CCC[C@H](C)C1 ZINC001118990663 1022510449 /nfs/dbraw/zinc/51/04/49/1022510449.db2.gz CAHPYTUHCDRDNB-UONOGXRCSA-N 1 0 351.422 2.903 20 5 FFBDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C1 ZINC000047213892 1022526328 /nfs/dbraw/zinc/52/63/28/1022526328.db2.gz FIQJVQABTVAGQX-OAHLLOKOSA-N 1 0 362.474 2.903 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[NH2+]CCC12CCC2 ZINC001119311799 1022671697 /nfs/dbraw/zinc/67/16/97/1022671697.db2.gz DXDZKYRSLJTEOD-UHFFFAOYSA-N 1 0 368.231 2.716 20 5 FFBDRO Cc1ccccc1C[N@H+](CC1CC1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001039485627 1022760201 /nfs/dbraw/zinc/76/02/01/1022760201.db2.gz GWLVTEWEPXFAKI-WOJBJXKFSA-N 1 0 371.481 2.863 20 5 FFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(C1)CC[NH+](CCCc1ccccc1)CC2 ZINC001040701204 1022954679 /nfs/dbraw/zinc/95/46/79/1022954679.db2.gz WKQYXDBKUXMGJG-RTBURBONSA-N 1 0 371.481 2.599 20 5 FFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(C1)CC[NH+](C/C=C\c1ccccc1)CC2 ZINC001040699209 1022954745 /nfs/dbraw/zinc/95/47/45/1022954745.db2.gz AGTHQEUJVQUOCH-ZSKSOVMSSA-N 1 0 369.465 2.680 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC001122314295 1023183521 /nfs/dbraw/zinc/18/35/21/1023183521.db2.gz YNPAVBOVGIMMTQ-PXNSSMCTSA-N 1 0 367.405 2.889 20 5 FFBDRO [NH3+][C@H]1C[C@H](NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)C12CCC2 ZINC001122426905 1023260323 /nfs/dbraw/zinc/26/03/23/1023260323.db2.gz RNJHKMQJOQZXAZ-OALUTQOASA-N 1 0 361.445 2.541 20 5 FFBDRO CC(C)[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1nnc2ccccn21 ZINC000754187512 1023436732 /nfs/dbraw/zinc/43/67/32/1023436732.db2.gz UFUNGZXQEFHOPT-WBVHZDCISA-N 1 0 355.398 2.658 20 5 FFBDRO CCC(C)(C)c1cc([N+](=O)[O-])c(OCCO[C@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001218392589 1033135003 /nfs/dbraw/zinc/13/50/03/1033135003.db2.gz GBWXRIIFCQMJCE-ZDUSSCGKSA-N 1 0 367.402 2.948 20 5 FFBDRO CCOc1cc(C[NH2+][C@@H](C)C2CCN(C(=O)OC)CC2)ccc1[N+](=O)[O-] ZINC000755053579 1023559012 /nfs/dbraw/zinc/55/90/12/1023559012.db2.gz BHNLQCPXEGANCN-ZDUSSCGKSA-N 1 0 365.430 2.950 20 5 FFBDRO CCn1c([C@H](C)[N+](=O)[O-])nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC001121700258 1023934461 /nfs/dbraw/zinc/93/44/61/1023934461.db2.gz UNTHOXWKJXLOKU-HRCADAONSA-N 1 0 364.494 2.727 20 5 FFBDRO O=C([C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)N1CCC(Cc2c[nH]cn2)CC1 ZINC001123984952 1024198606 /nfs/dbraw/zinc/19/86/06/1024198606.db2.gz APGGCXUXRFBMPY-MSOLQXFVSA-N 1 0 354.410 2.903 20 5 FFBDRO O=C(NCC1CC[NH+](CC/C=C/c2ccccc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001223113940 1033293955 /nfs/dbraw/zinc/29/39/55/1033293955.db2.gz FCFNIRHJJFVZBE-KDBJMCLYSA-N 1 0 357.454 2.583 20 5 FFBDRO O=[N+]([O-])c1ccc2c(cnn2CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000246569837 1026273553 /nfs/dbraw/zinc/27/35/53/1026273553.db2.gz RHZKAPPCNKGVBE-KSSFIOAISA-N 1 0 355.442 2.851 20 5 FFBDRO CC(C)(C)OC(=O)NCC1(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)CC1 ZINC000839097624 1026588294 /nfs/dbraw/zinc/58/82/94/1026588294.db2.gz RNPVPNJBZXJZPD-UHFFFAOYSA-N 1 0 364.446 2.665 20 5 FFBDRO C[C@@H]1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000839646239 1026772738 /nfs/dbraw/zinc/77/27/38/1026772738.db2.gz KTFRQWYFISFAJL-OXQOHEQNSA-N 1 0 355.438 2.835 20 5 FFBDRO O=[N+]([O-])c1ccc2c(cnn2C[N@@H+]2CCC[C@@H]3CC4(CC[C@@H]32)OCCO4)c1 ZINC000840138463 1026978420 /nfs/dbraw/zinc/97/84/20/1026978420.db2.gz QZBFRXODMLJEFV-PBHICJAKSA-N 1 0 372.425 2.910 20 5 FFBDRO C[N@@H+]1CCCC[C@@H]1CCOC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000840224248 1027011564 /nfs/dbraw/zinc/01/15/64/1027011564.db2.gz DFQURLBPYWNJMG-CQSZACIVSA-N 1 0 358.398 2.812 20 5 FFBDRO CCOC(=O)C1(Nc2nccc3cc([N+](=O)[O-])ccc32)CC[NH+](C)CC1 ZINC001158575596 1027064890 /nfs/dbraw/zinc/06/48/90/1027064890.db2.gz YOMJINNPBSUWCB-UHFFFAOYSA-N 1 0 358.398 2.582 20 5 FFBDRO O=[N+]([O-])c1cnc(NCc2nc(-c3ccccc3)cs2)nc1C1C[NH2+]C1 ZINC001159213339 1027315184 /nfs/dbraw/zinc/31/51/84/1027315184.db2.gz KNHGANCDUDCPTM-UHFFFAOYSA-N 1 0 368.422 2.807 20 5 FFBDRO CCOC(=O)c1cc(Nc2ccc(N3CC[NH2+]CC3)cc2)cc([N+](=O)[O-])c1 ZINC001159456705 1027396842 /nfs/dbraw/zinc/39/68/42/1027396842.db2.gz ZMYAROLVATVVSD-UHFFFAOYSA-N 1 0 370.409 2.925 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(-n2cc(C[C@@H](C)[NH3+])c3ccc(C)cc32)n1 ZINC001160011001 1027561275 /nfs/dbraw/zinc/56/12/75/1027561275.db2.gz CUDUEFHAOJOFQK-GFCCVEGCSA-N 1 0 368.393 2.918 20 5 FFBDRO CCc1ccc(C[N@H+]2CC=C(CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1 ZINC001160106855 1027593927 /nfs/dbraw/zinc/59/39/27/1027593927.db2.gz FAEHWZBUISMIPT-RTBURBONSA-N 1 0 357.454 2.553 20 5 FFBDRO O=[N+]([O-])c1ccc(C(F)(F)N[C@@H]2CC[NH2+]C[C@@H]2C(F)(F)F)nc1Cl ZINC001160739095 1027846623 /nfs/dbraw/zinc/84/66/23/1027846623.db2.gz VZGOBJDJRHEQSF-NKWVEPMBSA-N 1 0 374.697 2.823 20 5 FFBDRO O=[N+]([O-])c1cnc(Cl)nc1NCC1CC[NH+](Cc2ccccn2)CC1 ZINC001161241082 1028087668 /nfs/dbraw/zinc/08/76/68/1028087668.db2.gz RKYNDXCYMOASRG-UHFFFAOYSA-N 1 0 362.821 2.757 20 5 FFBDRO Cc1cc(NC2CCN([C@H]3CC[NH2+]C3)CC2)nc2ccc([N+](=O)[O-])cc12 ZINC001161464990 1028190403 /nfs/dbraw/zinc/19/04/03/1028190403.db2.gz VZCPFZOGXNUXQM-INIZCTEOSA-N 1 0 355.442 2.690 20 5 FFBDRO COc1nc(N(CC(C)(C)C)[C@H]2CC[C@H]([NH3+])CC2)nc(OC)c1[N+](=O)[O-] ZINC001161675205 1028276125 /nfs/dbraw/zinc/27/61/25/1028276125.db2.gz RRWAHPHEQCSMHU-HAQNSBGRSA-N 1 0 367.450 2.524 20 5 FFBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000249741389 1028289086 /nfs/dbraw/zinc/28/90/86/1028289086.db2.gz IVKNXPIPFKTGFL-NEPJUHHUSA-N 1 0 364.402 2.662 20 5 FFBDRO COC(=O)c1ccc(C[NH3+])n1-c1cc(Cl)nc2ccc([N+](=O)[O-])cc21 ZINC001161940132 1028371249 /nfs/dbraw/zinc/37/12/49/1028371249.db2.gz YNOTZVNVYVKHLH-UHFFFAOYSA-N 1 0 360.757 2.832 20 5 FFBDRO COCCC1([NH3+])CCN(c2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC001162046887 1028413338 /nfs/dbraw/zinc/41/33/38/1028413338.db2.gz QQJUXYHHYRKFKH-UHFFFAOYSA-N 1 0 371.441 2.694 20 5 FFBDRO O=[N+]([O-])c1cccc2nc(-n3nc(C(F)(F)F)c4c3CC[NH2+]C4)ccc21 ZINC001154849821 1028482617 /nfs/dbraw/zinc/48/26/17/1028482617.db2.gz VDJHTLRBESUTHO-UHFFFAOYSA-N 1 0 363.299 2.993 20 5 FFBDRO [NH3+][C@H]1CCC[C@@H](Nc2ncccc2NC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC001162393665 1028527163 /nfs/dbraw/zinc/52/71/63/1028527163.db2.gz WIUSLGAMPPKOMT-QWHCGFSZSA-N 1 0 355.398 2.924 20 5 FFBDRO [NH3+][C@@H]1CCC[C@@H](Nc2ncccc2NC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC001162393663 1028527830 /nfs/dbraw/zinc/52/78/30/1028527830.db2.gz WIUSLGAMPPKOMT-CHWSQXEVSA-N 1 0 355.398 2.924 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ccc(-n3cncc3C3CC[NH2+]CC3)nn2)cc1 ZINC001155064335 1028563395 /nfs/dbraw/zinc/56/33/95/1028563395.db2.gz OXUNKUOJHFAXAF-UHFFFAOYSA-N 1 0 350.382 2.705 20 5 FFBDRO CC(C)(CO)[NH+]1CCN(c2c3cccc(Cl)c3ncc2[N+](=O)[O-])CC1 ZINC001162550613 1028577827 /nfs/dbraw/zinc/57/78/27/1028577827.db2.gz QYKQAGUUJOCLIA-UHFFFAOYSA-N 1 0 364.833 2.689 20 5 FFBDRO COC(=O)c1cnc(-n2cc(CC[NH3+])c3c2cccc3Cl)c([N+](=O)[O-])c1 ZINC001162654313 1028611375 /nfs/dbraw/zinc/61/13/75/1028611375.db2.gz VFBWFBPKHJRYFB-UHFFFAOYSA-N 1 0 374.784 2.875 20 5 FFBDRO COc1cc([N+](=O)[O-])c(NC[C@@H]2CCC3(CC[NH2+]CC3)CO2)cc1F ZINC001162965614 1028736194 /nfs/dbraw/zinc/73/61/94/1028736194.db2.gz KXHYRBZNUDXREF-LBPRGKRZSA-N 1 0 353.394 2.703 20 5 FFBDRO CN1CCc2c(NCC[C@H]3C[NH2+]Cc4cccn4C3)ccc([N+](=O)[O-])c2C1 ZINC001163063449 1028782196 /nfs/dbraw/zinc/78/21/96/1028782196.db2.gz IJOQQOZCZFHKBX-HNNXBMFYSA-N 1 0 369.469 2.606 20 5 FFBDRO C[C@H]1CN(c2c3cc(F)ccc3ncc2[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC001163069901 1028785422 /nfs/dbraw/zinc/78/54/22/1028785422.db2.gz SBNWJTKEQHXNKE-LBPRGKRZSA-N 1 0 362.405 2.564 20 5 FFBDRO O=[N+]([O-])c1ccc2nc(Cl)nc(N[C@@H]3CCO[C@]4(CC[NH2+]C4)C3)c2c1 ZINC001155620062 1028819432 /nfs/dbraw/zinc/81/94/32/1028819432.db2.gz STAVDLCHOBLYKK-QLJPJBMISA-N 1 0 363.805 2.514 20 5 FFBDRO COc1cc(C)nc(NCc2cccnc2C2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001156000230 1029008130 /nfs/dbraw/zinc/00/81/30/1029008130.db2.gz RIDWSYDJGKRNEZ-UHFFFAOYSA-N 1 0 357.414 2.781 20 5 FFBDRO O=C(C[N@@H+]1CCC[C@H]2CCCC[C@H]21)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000245612880 1029044295 /nfs/dbraw/zinc/04/42/95/1029044295.db2.gz WPEMUKSYYJMMQQ-TZMCWYRMSA-N 1 0 361.398 2.917 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)nc(-n2ccc3cc(N4CC[NH2+]CC4)ccc32)c1 ZINC001156206973 1029090908 /nfs/dbraw/zinc/09/09/08/1029090908.db2.gz PVGXQXODCUOJBE-UHFFFAOYSA-N 1 0 357.801 2.997 20 5 FFBDRO COc1cccc(C[C@H]2CN(c3c(F)cc([N+](=O)[O-])cc3F)CC[NH2+]2)c1 ZINC001164413012 1029277740 /nfs/dbraw/zinc/27/77/40/1029277740.db2.gz VYNNJHCNCKUROJ-ZDUSSCGKSA-N 1 0 363.364 2.903 20 5 FFBDRO CC(C)Oc1nc(N(Cc2ccccc2)C2(C[NH3+])COC2)ccc1[N+](=O)[O-] ZINC001156636205 1029280226 /nfs/dbraw/zinc/28/02/26/1029280226.db2.gz SEWFANPELDEMNR-UHFFFAOYSA-N 1 0 372.425 2.511 20 5 FFBDRO O=C(NCCC1(C[NH2+]Cc2cc(Cl)ccc2F)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001164490531 1029294765 /nfs/dbraw/zinc/29/47/65/1029294765.db2.gz LPMONIJPPAUCMW-UKRRQHHQSA-N 1 0 369.824 2.520 20 5 FFBDRO COC(=O)[C@H](Nc1cc2c(cc1[N+](=O)[O-])C[NH2+]C2)c1ccc(OC)cc1 ZINC001164542020 1029313551 /nfs/dbraw/zinc/31/35/51/1029313551.db2.gz ZXTZPPIQYYQPBB-QGZVFWFLSA-N 1 0 357.366 2.533 20 5 FFBDRO O=[N+]([O-])c1cnc(N2C[C@H]3CC[N@H+](Cc4ccccc4)[C@H]3C2)c([N+](=O)[O-])c1 ZINC001165083547 1029370420 /nfs/dbraw/zinc/37/04/20/1029370420.db2.gz GXWKUOUYSBUNLE-PBHICJAKSA-N 1 0 369.381 2.609 20 5 FFBDRO COc1cc(N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001165086704 1029376028 /nfs/dbraw/zinc/37/60/28/1029376028.db2.gz OBMGJZQUKRTGPO-DOTOQJQBSA-N 1 0 354.410 2.709 20 5 FFBDRO COCCC[NH+]1CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1 ZINC001165096508 1029384854 /nfs/dbraw/zinc/38/48/54/1029384854.db2.gz ASCYUVDPVWONOD-UHFFFAOYSA-N 1 0 356.426 2.815 20 5 FFBDRO C[N@H+]1C[C@H]2CN(c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)nn3)C[C@H]2C1 ZINC001165146519 1029419953 /nfs/dbraw/zinc/41/99/53/1029419953.db2.gz AQMUMTQJSXTVBL-BETUJISGSA-N 1 0 359.817 2.703 20 5 FFBDRO Cc1nc(N2CCC([N@H+](C)Cc3ccc(F)cc3)CC2)ncc1[N+](=O)[O-] ZINC001157082564 1029459645 /nfs/dbraw/zinc/45/96/45/1029459645.db2.gz BVDYEACDWNTJAJ-UHFFFAOYSA-N 1 0 359.405 2.933 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H](CO)c2ccc(C(F)(F)F)cc2)c1 ZINC000782093168 1029566296 /nfs/dbraw/zinc/56/62/96/1029566296.db2.gz YUBOSNRILHYYJJ-HZPDHXFCSA-N 1 0 370.327 2.970 20 5 FFBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000136515808 1029571357 /nfs/dbraw/zinc/57/13/57/1029571357.db2.gz GWJQEMWZAJLVLG-MRXNPFEDSA-N 1 0 370.453 2.999 20 5 FFBDRO O=[N+]([O-])c1cc2ccccc2nc1N(c1cnccn1)C1CC[NH2+]CC1 ZINC001157542335 1029612203 /nfs/dbraw/zinc/61/22/03/1029612203.db2.gz ZKQGYPMPCNEFRD-UHFFFAOYSA-N 1 0 350.382 2.823 20 5 FFBDRO O=[N+]([O-])c1cccc2ccc(N(c3cnccn3)C3CC[NH2+]CC3)nc21 ZINC001157542222 1029612619 /nfs/dbraw/zinc/61/26/19/1029612619.db2.gz WSCBNEIMYUAVKG-UHFFFAOYSA-N 1 0 350.382 2.823 20 5 FFBDRO C[N@@H+]1CCCC12CCN(c1ccc([N+](=O)[O-])cc1N1CCOC1=O)CC2 ZINC000782357455 1029670216 /nfs/dbraw/zinc/67/02/16/1029670216.db2.gz NUBJYPIZEWIDEJ-UHFFFAOYSA-N 1 0 360.414 2.616 20 5 FFBDRO [NH3+]CCN(c1cccnc1)c1ccc(-c2ccc(F)c([N+](=O)[O-])c2)nn1 ZINC001158001432 1029706172 /nfs/dbraw/zinc/70/61/72/1029706172.db2.gz HDUFBRZSKRJHMP-UHFFFAOYSA-N 1 0 354.345 2.683 20 5 FFBDRO COc1cc(-n2c(CCC[NH3+])nc3ccc(Cl)cc32)ncc1[N+](=O)[O-] ZINC001158136042 1029742210 /nfs/dbraw/zinc/74/22/10/1029742210.db2.gz FSFBTXKLXYSRHB-UHFFFAOYSA-N 1 0 361.789 2.882 20 5 FFBDRO COc1cc(N(c2cc([N+](=O)[O-])cc(Cl)n2)C2CC[NH2+]CC2)ccn1 ZINC001158324555 1029798157 /nfs/dbraw/zinc/79/81/57/1029798157.db2.gz GLIZWWIPOMEQJU-UHFFFAOYSA-N 1 0 363.805 2.937 20 5 FFBDRO Cc1ccc([C@@H](C)[NH2+]CC(C)(C)[C@@H]2COCC23OCCO3)cc1[N+](=O)[O-] ZINC000840800578 1029886018 /nfs/dbraw/zinc/88/60/18/1029886018.db2.gz FKVZNYBXGIVJLX-PBHICJAKSA-N 1 0 364.442 2.970 20 5 FFBDRO Cc1ccc(-c2ccc(N3CC[C@@]4(C3)CCC[NH2+]C4)nn2)cc1[N+](=O)[O-] ZINC001165239218 1029910084 /nfs/dbraw/zinc/91/00/84/1029910084.db2.gz LPFUNMUACHWWMG-IBGZPJMESA-N 1 0 353.426 2.940 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])c(NCC[C@@H]2CCC[N@H+](C)C2)cc1OC ZINC001165290441 1029931624 /nfs/dbraw/zinc/93/16/24/1029931624.db2.gz UOLBQWPKWGLLGN-LBPRGKRZSA-N 1 0 351.403 2.534 20 5 FFBDRO COc1ccc(C[NH2+][C@@H](COC(N)=O)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000840961248 1029946122 /nfs/dbraw/zinc/94/61/22/1029946122.db2.gz TWRSOSXQFDQAFS-OAHLLOKOSA-N 1 0 359.382 2.814 20 5 FFBDRO Cc1c(C(=O)N(C)C(C)(C)C[NH+]2CCCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000841366419 1030227175 /nfs/dbraw/zinc/22/71/75/1030227175.db2.gz BIYQFCKMGRHYNQ-UHFFFAOYSA-N 1 0 364.402 2.758 20 5 FFBDRO O=[N+]([O-])c1cnc(N2CCC[C@@H](Cc3ccccc3)C2)nc1C1C[NH2+]C1 ZINC001166563256 1030444091 /nfs/dbraw/zinc/44/40/91/1030444091.db2.gz CQTAPGNUBWQZFT-HNNXBMFYSA-N 1 0 353.426 2.531 20 5 FFBDRO COC(=O)c1ncc([N+](=O)[O-])c(C)c1NCC1CC[NH+](C(C)C)CC1 ZINC001166615355 1030458175 /nfs/dbraw/zinc/45/81/75/1030458175.db2.gz DLEHDUDHXVXHDT-UHFFFAOYSA-N 1 0 350.419 2.617 20 5 FFBDRO O=[N+]([O-])c1cccc2nc(-n3cc4c(cccc4N4CC[NH2+]CC4)n3)ccc21 ZINC001166991396 1030600881 /nfs/dbraw/zinc/60/08/81/1030600881.db2.gz CHENELQJNYDRPM-UHFFFAOYSA-N 1 0 374.404 2.892 20 5 FFBDRO COc1cc(Cc2noc(C[C@H](C)[C@@H]3CCC[NH2+]C3)n2)ccc1[N+](=O)[O-] ZINC000843191727 1031234812 /nfs/dbraw/zinc/23/48/12/1031234812.db2.gz LFBUJORBGIFNJI-GXTWGEPZSA-N 1 0 360.414 2.755 20 5 FFBDRO Cc1c(NC(=O)[C@@H](C)Nc2ccc(OCC[NH3+])cc2)cccc1[N+](=O)[O-] ZINC000843367471 1031360958 /nfs/dbraw/zinc/36/09/58/1031360958.db2.gz RCUSOMJNHLSZGL-CYBMUJFWSA-N 1 0 358.398 2.680 20 5 FFBDRO C[N@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C[C@]1(O)CCc2ccccc21 ZINC000843423116 1031395120 /nfs/dbraw/zinc/39/51/20/1031395120.db2.gz ZVGOGRZSQXVMDI-HXUWFJFHSA-N 1 0 370.405 2.632 20 5 FFBDRO CC(C)(C(=O)Nc1cnn(C2CC[NH2+]CC2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000843456536 1031413776 /nfs/dbraw/zinc/41/37/76/1031413776.db2.gz DGPMCWKWXDIORL-UHFFFAOYSA-N 1 0 357.414 2.632 20 5 FFBDRO CO[C@H](Cc1ccccc1)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001205115616 1031535531 /nfs/dbraw/zinc/53/55/31/1031535531.db2.gz OKYQUONWOAMJQW-HXUWFJFHSA-N 1 0 355.438 2.975 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C[C@@H](N1CCOCC1)C(F)(F)F ZINC001205729755 1031959421 /nfs/dbraw/zinc/95/94/21/1031959421.db2.gz VAXGALFWCUZBPI-CYBMUJFWSA-N 1 0 367.755 2.601 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC001151550975 1031982738 /nfs/dbraw/zinc/98/27/38/1031982738.db2.gz KEYXYOXUWZWYBY-WQVCFCJDSA-N 1 0 367.833 2.572 20 5 FFBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)N[C@H]3CCCC34CC4)c2)CC1 ZINC001220188721 1034033036 /nfs/dbraw/zinc/03/30/36/1034033036.db2.gz JEFZRIJJEUKCRH-KRWDZBQOSA-N 1 0 373.457 2.801 20 5 FFBDRO CC(C)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CC[NH2+]1 ZINC000831593741 1034140713 /nfs/dbraw/zinc/14/07/13/1034140713.db2.gz OKDURWQYPHUKMV-QGZVFWFLSA-N 1 0 360.458 2.655 20 5 FFBDRO COc1cc(O[C@H]2COCC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC001225441481 1034256731 /nfs/dbraw/zinc/25/67/31/1034256731.db2.gz PHRFHQQHAWODIR-QGZVFWFLSA-N 1 0 358.394 2.883 20 5 FFBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@@H]3CC4(CC[C@@H]32)OCCO4)c1 ZINC000832040832 1034509155 /nfs/dbraw/zinc/50/91/55/1034509155.db2.gz JALBOLNDPBMIFA-QAPCUYQASA-N 1 0 362.426 2.981 20 5 FFBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Oc1ccc([N+](=O)[O-])cc1C(N)=O ZINC001226173577 1034558800 /nfs/dbraw/zinc/55/88/00/1034558800.db2.gz UGXQXEPJCGZUPJ-UGSOOPFHSA-N 1 0 355.394 2.593 20 5 FFBDRO COC(=O)Cc1ccc(O[C@@H]2CC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001226215511 1034575462 /nfs/dbraw/zinc/57/54/62/1034575462.db2.gz XRSGHOSTUWNUGI-QGZVFWFLSA-N 1 0 370.405 2.964 20 5 FFBDRO CCOC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1OC1CC[NH+](C(C)(C)C)CC1 ZINC001226322367 1034629963 /nfs/dbraw/zinc/62/99/63/1034629963.db2.gz CHZUEPPHYPIMBN-UHFFFAOYSA-N 1 0 367.402 2.514 20 5 FFBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)CC1 ZINC000832731911 1034929464 /nfs/dbraw/zinc/92/94/64/1034929464.db2.gz WIAKJCJGTVDZMW-RHSMWYFYSA-N 1 0 360.458 2.640 20 5 FFBDRO C[C@@H]([NH2+][C@@H](C)C(=O)NCCc1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834895955 1035470155 /nfs/dbraw/zinc/47/01/55/1035470155.db2.gz GBHKTMYLELLYTP-KGLIPLIRSA-N 1 0 356.426 2.575 20 5 FFBDRO CC[N@@H+]1CCO[C@@H]2CN(Cc3ccc4ccc5cccnc5c4n3)C[C@@H]2C1 ZINC001232222713 1035503323 /nfs/dbraw/zinc/50/33/23/1035503323.db2.gz QAPJJUSKPXPGQC-AZUAARDMSA-N 1 0 362.477 2.936 20 5 FFBDRO C[NH+]1CCC2(CC[C@H](COc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])O2)CC1 ZINC001227462792 1035564618 /nfs/dbraw/zinc/56/46/18/1035564618.db2.gz KFUPLTJFIRTQEU-CYBMUJFWSA-N 1 0 351.359 2.525 20 5 FFBDRO O=c1[nH]cnc(O[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1[N+](=O)[O-] ZINC001228141715 1035958002 /nfs/dbraw/zinc/95/80/02/1035958002.db2.gz TUWDNAIYTVLFEX-FICVDOATSA-N 1 0 356.382 2.665 20 5 FFBDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1Oc1nc[nH]c(=O)c1[N+](=O)[O-] ZINC001228143385 1035958674 /nfs/dbraw/zinc/95/86/74/1035958674.db2.gz LTQITPLQVGZSRA-CQSZACIVSA-N 1 0 358.398 2.770 20 5 FFBDRO COCC[NH+]1CCC(Oc2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)CC1 ZINC001233497922 1036661565 /nfs/dbraw/zinc/66/15/65/1036661565.db2.gz JJBSUVVUCAXNAP-UHFFFAOYSA-N 1 0 354.794 2.614 20 5 FFBDRO C[NH+](C)CC(C)(C)C1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC001141063835 1036895263 /nfs/dbraw/zinc/89/52/63/1036895263.db2.gz GOIHRSUDGOGRHB-UHFFFAOYSA-N 1 0 362.474 2.833 20 5 FFBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cc(F)c(Br)cc1Cl ZINC001234323462 1036988227 /nfs/dbraw/zinc/98/82/27/1036988227.db2.gz GRACZLWHPAZCSY-MRVPVSSYSA-N 1 0 369.638 2.604 20 5 FFBDRO COc1c(O)ccc2c(=O)c3c(O[C@H](C)C[NH+](C)C)cc(O)cc3oc21 ZINC001234749574 1037165960 /nfs/dbraw/zinc/16/59/60/1037165960.db2.gz QLGHDCHEPZKIGP-SNVBAGLBSA-N 1 0 359.378 2.695 20 5 FFBDRO COc1cc(N2CCC([N@H+](C)C3CCN(C)CC3)CC2)ccc1[N+](=O)[O-] ZINC001256093665 1038378808 /nfs/dbraw/zinc/37/88/08/1038378808.db2.gz DBCDXTDCVPWXDB-UHFFFAOYSA-N 1 0 362.474 2.598 20 5 FFBDRO CCN(CC)CC[N@H+](C)C1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC001256095109 1038379092 /nfs/dbraw/zinc/37/90/92/1038379092.db2.gz YVBRTIYMUIIPDM-UHFFFAOYSA-N 1 0 364.490 2.846 20 5 FFBDRO CC[N@H+](CC(C)(C)O)C1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC001256100943 1038384711 /nfs/dbraw/zinc/38/47/11/1038384711.db2.gz VVUQSCLZWGCUCJ-UHFFFAOYSA-N 1 0 351.447 2.665 20 5 FFBDRO COc1cc(N2CCC(N3CC([NH+]4CCCCC4)C3)CC2)ccc1[N+](=O)[O-] ZINC001256100969 1038384830 /nfs/dbraw/zinc/38/48/30/1038384830.db2.gz WQDGJZAQQSQPJQ-UHFFFAOYSA-N 1 0 374.485 2.742 20 5 FFBDRO COc1cc(N2CCC([N@@H+]3CC[C@H]4CC[C@@H](C3)N4C)CC2)ccc1[N+](=O)[O-] ZINC001256101332 1038387353 /nfs/dbraw/zinc/38/73/53/1038387353.db2.gz FHLZKPYRFBZCEF-QAPCUYQASA-N 1 0 374.485 2.741 20 5 FFBDRO CC[NH+](CC)CC[C@@H](C)NC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC001256517403 1038540393 /nfs/dbraw/zinc/54/03/93/1038540393.db2.gz VAURRDLQKPSSST-OAHLLOKOSA-N 1 0 350.463 2.899 20 5 FFBDRO CN(CC(C)(C)C)C(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001209684207 1039128432 /nfs/dbraw/zinc/12/84/32/1039128432.db2.gz AMJFSADWVBJTEN-UHFFFAOYSA-N 1 0 363.462 2.856 20 5 FFBDRO C[C@H]1C[NH+](CCc2nnc(-c3cc(F)c([N+](=O)[O-])cc3F)o2)C[C@H](C)O1 ZINC001258138981 1039217271 /nfs/dbraw/zinc/21/72/71/1039217271.db2.gz PQGZBPOWGJOIMF-UWVGGRQHSA-N 1 0 368.340 2.575 20 5 FFBDRO C[C@@H]1C[N@@H+](CCc2nnc(-c3cc(Cl)cc([N+](=O)[O-])c3)o2)C[C@H](C)O1 ZINC001258150657 1039230601 /nfs/dbraw/zinc/23/06/01/1039230601.db2.gz AUOQCAWXKLONLC-PHIMTYICSA-N 1 0 366.805 2.950 20 5 FFBDRO Cc1cc(F)c([N+](=O)[O-])cc1-c1nnc(CC[NH+]2C[C@@H](C)O[C@H](C)C2)o1 ZINC001258154637 1039234417 /nfs/dbraw/zinc/23/44/17/1039234417.db2.gz XFKNPCMMFODJER-VXGBXAGGSA-N 1 0 364.377 2.744 20 5 FFBDRO CC[NH+](CC)CCNC(=O)c1ccc(Nc2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC001209936553 1039296934 /nfs/dbraw/zinc/29/69/34/1039296934.db2.gz SGQDOAWJDOZYCO-UHFFFAOYSA-N 1 0 371.441 2.992 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CCC[C@@]3(CCC[NH2+]3)C2)c1F ZINC001246615622 1039416555 /nfs/dbraw/zinc/41/65/55/1039416555.db2.gz CXXREVWHYWHQGT-ACJLOTCBSA-N 1 0 351.422 2.892 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CCCC[C@]23CC[NH2+]C3)c1F ZINC001246645273 1039426905 /nfs/dbraw/zinc/42/69/05/1039426905.db2.gz UQYWHTWFBRYEGT-SCLBCKFNSA-N 1 0 351.422 2.892 20 5 FFBDRO C[C@@H]1CN(C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)C[C@H](C)[NH2+]1 ZINC001246825124 1039492982 /nfs/dbraw/zinc/49/29/82/1039492982.db2.gz QHLXTTVQUBCCGQ-TXEJJXNPSA-N 1 0 354.401 2.524 20 5 FFBDRO O=[N+]([O-])c1cc(Nc2ccc(N3CC[NH+](CCO)CC3)cc2)ccc1F ZINC001211193504 1039987272 /nfs/dbraw/zinc/98/72/72/1039987272.db2.gz ZCUVUMXIQRNJDJ-UHFFFAOYSA-N 1 0 360.389 2.592 20 5 FFBDRO Cc1c(Nc2ccc(N3CC[NH+](C)CC3)cn2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001211290810 1040062859 /nfs/dbraw/zinc/06/28/59/1040062859.db2.gz MJBDMUUPCOQMDO-UHFFFAOYSA-N 1 0 372.385 2.702 20 5 FFBDRO COc1ccc(F)cc1-c1noc(C[C@H]([NH3+])Cc2ccc([N+](=O)[O-])cc2)n1 ZINC001248216268 1040177594 /nfs/dbraw/zinc/17/75/94/1040177594.db2.gz OADIWYRRACHHOK-CYBMUJFWSA-N 1 0 372.356 2.905 20 5 FFBDRO C[NH+]1CCC(O)(c2nc(-c3ccc4ccc5cccnc5c4n3)no2)CC1 ZINC001248969593 1040534882 /nfs/dbraw/zinc/53/48/82/1040534882.db2.gz WKCLPQDLSGGCKO-UHFFFAOYSA-N 1 0 361.405 2.746 20 5 FFBDRO COC(=O)[C@H]1CC[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001254466549 1040734455 /nfs/dbraw/zinc/73/44/55/1040734455.db2.gz BSEWRBXHVKMLDO-SHTZXODSSA-N 1 0 361.442 2.885 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C3CCN(CCF)CC3)CC2)cc1 ZINC001254468989 1040734974 /nfs/dbraw/zinc/73/49/74/1040734974.db2.gz RWCDFYKUJKZJMR-UHFFFAOYSA-N 1 0 350.438 2.587 20 5 FFBDRO O=c1ccc2c([nH]1)CC[N@@H+](C1CCN(c3ccc([N+](=O)[O-])cc3)CC1)CC2 ZINC001254479914 1040745346 /nfs/dbraw/zinc/74/53/46/1040745346.db2.gz QAEKFLYKHPQTBH-UHFFFAOYSA-N 1 0 368.437 2.765 20 5 FFBDRO CN1CC2(CC1=O)CC[NH+](C1CCN(c3ccc([N+](=O)[O-])cc3)CC1)CC2 ZINC001254480614 1040746985 /nfs/dbraw/zinc/74/69/85/1040746985.db2.gz IXLIPSIJUDJWHA-UHFFFAOYSA-N 1 0 372.469 2.508 20 5 FFBDRO CC(=O)N1CCC[C@H]([N@H+](C)C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254480307 1040747838 /nfs/dbraw/zinc/74/78/38/1040747838.db2.gz DQLQHRKZPCGNBQ-IBGZPJMESA-N 1 0 360.458 2.506 20 5 FFBDRO COC(=O)[C@H]1CCC[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001254482980 1040749005 /nfs/dbraw/zinc/74/90/05/1040749005.db2.gz NVQQJCHGTHPNGE-HNNXBMFYSA-N 1 0 361.442 2.839 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC(N(c3ccccn3)[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC001254483710 1040749977 /nfs/dbraw/zinc/74/99/77/1040749977.db2.gz WSHKROVJOQTUTJ-LJQANCHMSA-N 1 0 367.453 2.827 20 5 FFBDRO Cc1ccc(Nc2ccc(N3CC[NH+](C)CC3)c(CO)c2)cc1[N+](=O)[O-] ZINC001213667014 1040777136 /nfs/dbraw/zinc/77/71/36/1040777136.db2.gz HJBXYVWKTXZWHI-UHFFFAOYSA-N 1 0 356.426 2.891 20 5 FFBDRO Cc1cc(N2CCC([NH2+][C@@H](C)Cc3ccccc3[N+](=O)[O-])CC2)ncn1 ZINC001254548356 1040790565 /nfs/dbraw/zinc/79/05/65/1040790565.db2.gz HTBMPUGFBGFCRM-HNNXBMFYSA-N 1 0 355.442 2.883 20 5 FFBDRO CC(C)N(c1ncnc2c1CC[NH2+]CC2)[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254563008 1040799449 /nfs/dbraw/zinc/79/94/49/1040799449.db2.gz WAVAGNBSLOIPAD-OAHLLOKOSA-N 1 0 369.469 2.919 20 5 FFBDRO CCN(C)c1ncnc2c1CC[N@@H+]([C@@H](C)Cc1ccccc1[N+](=O)[O-])CC2 ZINC001254563033 1040800557 /nfs/dbraw/zinc/80/05/57/1040800557.db2.gz WMJMUIWMIRPJHG-HNNXBMFYSA-N 1 0 369.469 2.873 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]C[C@@H]1CN(Cc3ccccc3)CCO1)C2 ZINC001254565317 1040801670 /nfs/dbraw/zinc/80/16/70/1040801670.db2.gz DGUCGIHFVMHMLS-PZJWPPBQSA-N 1 0 367.449 2.553 20 5 FFBDRO C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254567852 1040804434 /nfs/dbraw/zinc/80/44/34/1040804434.db2.gz PQTSLYCICSMCSB-XGWLTEMNSA-N 1 0 361.442 2.907 20 5 FFBDRO CC(C)(C)OC(=O)N1CC[C@H](C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254566952 1040804607 /nfs/dbraw/zinc/80/46/07/1040804607.db2.gz LNKJIJMZJXHOLO-CZUORRHYSA-N 1 0 361.442 2.909 20 5 FFBDRO CC(C)(C)OC(=O)N1C[C@@H](F)[C@H]([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254572077 1040807544 /nfs/dbraw/zinc/80/75/44/1040807544.db2.gz HWYVWQLSVNUGJY-NUEKZKHPSA-N 1 0 365.405 2.609 20 5 FFBDRO CC(C)(C)OC(=O)N1C[C@@H](F)[C@@H]([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254572076 1040807864 /nfs/dbraw/zinc/80/78/64/1040807864.db2.gz HWYVWQLSVNUGJY-IMJJTQAJSA-N 1 0 365.405 2.609 20 5 FFBDRO COc1ccc(CN2CC[C@H]([NH2+][C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)cc1 ZINC001254584244 1040816340 /nfs/dbraw/zinc/81/63/40/1040816340.db2.gz GLNWDEGZNQCHEF-RBUKOAKNSA-N 1 0 367.449 2.935 20 5 FFBDRO COC(=O)C[C@@H]([NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1cccc(OC)c1 ZINC001254587639 1040818079 /nfs/dbraw/zinc/81/80/79/1040818079.db2.gz RSZPMBZRCLDZAQ-QFBILLFUSA-N 1 0 370.405 2.965 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]CC1(c3ccccn3)CCOCC1)C2 ZINC001254585862 1040818896 /nfs/dbraw/zinc/81/88/96/1040818896.db2.gz HDJGQDIZGBXYHF-QGZVFWFLSA-N 1 0 353.422 2.795 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]CC1(c3ccncc3)CCOCC1)C2 ZINC001254586898 1040818906 /nfs/dbraw/zinc/81/89/06/1040818906.db2.gz MMHOTNSRDXNLRA-GOSISDBHSA-N 1 0 353.422 2.795 20 5 FFBDRO O=C1[C@H]2C[N@H+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@H]2CN1c1ccccc1 ZINC001254595888 1040825848 /nfs/dbraw/zinc/82/58/48/1040825848.db2.gz OCUQKRLPUHWKSF-VDGAXYAQSA-N 1 0 363.417 2.657 20 5 FFBDRO Cc1cccc(N2CCC[N@@H+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC2)n1 ZINC001254607277 1040834247 /nfs/dbraw/zinc/83/42/47/1040834247.db2.gz KQCFLOJIRZOFRD-IBGZPJMESA-N 1 0 352.438 2.978 20 5 FFBDRO COc1cccc(N([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C2CC[NH2+]CC2)n1 ZINC001254610342 1040838554 /nfs/dbraw/zinc/83/85/54/1040838554.db2.gz JWJCOONVKRFFNC-GOSISDBHSA-N 1 0 368.437 2.724 20 5 FFBDRO Cc1cc(O[C@H]2CCC[N@@H+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)ncn1 ZINC001254610334 1040839359 /nfs/dbraw/zinc/83/93/59/1040839359.db2.gz JQOQRMZIKMLXIF-ROUUACIJSA-N 1 0 354.410 2.704 20 5 FFBDRO C[NH+](C)[C@H]1CCCC[C@H]1Nc1ccc([N+](=O)[O-])c(N2CCOCC2)c1F ZINC001261558690 1041307383 /nfs/dbraw/zinc/30/73/83/1041307383.db2.gz OHMMZPZGBLZFEM-HIFRSBDPSA-N 1 0 366.437 2.855 20 5 FFBDRO CC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[NH+](CCCc2ccccc2)CC1 ZINC001278607984 1041406109 /nfs/dbraw/zinc/40/61/09/1041406109.db2.gz UACIWDDYZMOPFH-QZTJIDSGSA-N 1 0 359.470 2.503 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(C[N@H+]2C[C@H](CO)[C@H](CO)C2)o1 ZINC001262011947 1041510421 /nfs/dbraw/zinc/51/04/21/1041510421.db2.gz FONZCHFIKJTWKS-TXEJJXNPSA-N 1 0 366.801 2.541 20 5 FFBDRO C[C@H](CNC(=O)c1cccn1C1CC[NH2+]CC1)c1ccccc1[N+](=O)[O-] ZINC001263236385 1042191387 /nfs/dbraw/zinc/19/13/87/1042191387.db2.gz MAQSCJLLHGJADW-CQSZACIVSA-N 1 0 356.426 2.854 20 5 FFBDRO O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC001310265025 1043658940 /nfs/dbraw/zinc/65/89/40/1043658940.db2.gz ZXARSYAFBUZUIB-JSGCOSHPSA-N 1 0 370.862 2.950 20 5 FFBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001310517772 1043700522 /nfs/dbraw/zinc/70/05/22/1043700522.db2.gz CHWNXWZCMCECTC-OKILXGFUSA-N 1 0 363.462 2.600 20 5 FFBDRO CN(C)c1ccc([C@@H](C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)N(C)C)cc1 ZINC000905703692 1043783240 /nfs/dbraw/zinc/78/32/40/1043783240.db2.gz IWLYFYDBCAOESW-UXHICEINSA-N 1 0 372.469 2.587 20 5 FFBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)NC3(C4(C)CC4)CC3)c2)CC1 ZINC001311245793 1043856111 /nfs/dbraw/zinc/85/61/11/1043856111.db2.gz POEOOZIEDUYNHN-UHFFFAOYSA-N 1 0 373.457 2.801 20 5 FFBDRO CC[NH+](CC)CC[C@@H](CO)NC(=O)Nc1ccc([N+](=O)[O-])c2ccccc12 ZINC001311330670 1043890476 /nfs/dbraw/zinc/89/04/76/1043890476.db2.gz KVZGCVSNQGECRA-AWEZNQCLSA-N 1 0 374.441 2.962 20 5 FFBDRO CC[N@@H+]1CCN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC001312381007 1044104685 /nfs/dbraw/zinc/10/46/85/1044104685.db2.gz NZOZKYOLHGELKF-LBPRGKRZSA-N 1 0 354.838 2.526 20 5 FFBDRO CCC1([NH2+]CCc2ccc(C)cc2)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001281004400 1044792875 /nfs/dbraw/zinc/79/28/75/1044792875.db2.gz NBWXZYIUOJMQDU-QZTJIDSGSA-N 1 0 359.470 2.564 20 5 FFBDRO C[N@@H+]1CC[C@@H](NC(=O)CNc2ccccc2[N+](=O)[O-])[C@H]1c1ccc(F)cc1 ZINC001319485174 1045168184 /nfs/dbraw/zinc/16/81/84/1045168184.db2.gz LVSGIQFSJCEXFZ-VQIMIIECSA-N 1 0 372.400 2.707 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(C[NH2+]CCOCCCO)o1 ZINC001322444852 1046086382 /nfs/dbraw/zinc/08/63/82/1046086382.db2.gz HTWLOQXYCDZQLZ-UHFFFAOYSA-N 1 0 354.790 2.997 20 5 FFBDRO [NH3+]CCOc1cccc(NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001325640047 1046590088 /nfs/dbraw/zinc/59/00/88/1046590088.db2.gz QWRPBKDDPXSZOI-UHFFFAOYSA-N 1 0 356.382 2.523 20 5 FFBDRO C[N@@H+]1C[C@@]23CN(C(=O)/C=C\c4ccc([N+](=O)[O-])cc4)C[C@]2(C1)CCCC3 ZINC001540270187 1070812597 /nfs/dbraw/zinc/81/25/97/1070812597.db2.gz DJTQPWJIUNCKOW-HMVHIAHLSA-N 1 0 355.438 2.942 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@@H](Cc3nccn3C)C2)c1 ZINC001326387971 1046911569 /nfs/dbraw/zinc/91/15/69/1046911569.db2.gz NHFVHWKWTPTFLO-AWEZNQCLSA-N 1 0 372.425 2.570 20 5 FFBDRO CNc1nccc(C(=O)Nc2cccc(C[NH+]3CCCC3)c2)c1[N+](=O)[O-] ZINC001327113250 1047193394 /nfs/dbraw/zinc/19/33/94/1047193394.db2.gz KBNAMYHMXWAHNK-UHFFFAOYSA-N 1 0 355.398 2.880 20 5 FFBDRO Cc1cccc(Cl)c1C[N@@H+](C)CCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001327213586 1047238015 /nfs/dbraw/zinc/23/80/15/1047238015.db2.gz UYGPTAMOBXDPST-CZUORRHYSA-N 1 0 353.850 2.594 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)n1 ZINC001290115881 1047835274 /nfs/dbraw/zinc/83/52/74/1047835274.db2.gz HVAJEERKRXXSPG-GOSISDBHSA-N 1 0 354.410 2.865 20 5 FFBDRO [NH3+][C@]12CCC[C@@H]1CN(C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)C2 ZINC001328587095 1048369367 /nfs/dbraw/zinc/36/93/67/1048369367.db2.gz AJJUPGDTIHGACM-KUHUBIRLSA-N 1 0 358.442 2.539 20 5 FFBDRO CC(C)n1ncc2c1[C@@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])CCC2 ZINC001329139597 1048593418 /nfs/dbraw/zinc/59/34/18/1048593418.db2.gz AYJBHBLXOHHRFQ-CVEARBPZSA-N 1 0 374.441 2.779 20 5 FFBDRO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC001332911454 1048617673 /nfs/dbraw/zinc/61/76/73/1048617673.db2.gz JDZPKTIYFWELES-STQMWFEESA-N 1 0 351.834 2.924 20 5 FFBDRO CC1(C)[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H]2CCC[NH2+][C@H]21 ZINC001333221200 1048765957 /nfs/dbraw/zinc/76/59/57/1048765957.db2.gz RQLDIDMIDQZBJI-DAXOMENPSA-N 1 0 351.834 2.684 20 5 FFBDRO C[N@@H+]1CC[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3Br)CC[C@@H]21 ZINC001329881151 1048947694 /nfs/dbraw/zinc/94/76/94/1048947694.db2.gz USXCPUABKYBFMA-HZMBPMFUSA-N 1 0 368.231 2.524 20 5 FFBDRO CC(C)[NH+]1CCC(CCNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001329883010 1048948902 /nfs/dbraw/zinc/94/89/02/1048948902.db2.gz ZWBPCEMXXIYACW-UHFFFAOYSA-N 1 0 369.487 2.525 20 5 FFBDRO COC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Br)[C@H]1CCCOC1 ZINC001333630731 1049016612 /nfs/dbraw/zinc/01/66/12/1049016612.db2.gz JNEWYLJOKNSNHW-SWLSCSKDSA-N 1 0 373.247 2.889 20 5 FFBDRO CC[NH+]1CCC(CNC(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)CC1 ZINC001292006461 1049054970 /nfs/dbraw/zinc/05/49/70/1049054970.db2.gz NWVKPFMAWIROFW-UHFFFAOYSA-N 1 0 356.426 2.792 20 5 FFBDRO Nc1nc(NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)ncc1[N+](=O)[O-] ZINC001330154946 1049061017 /nfs/dbraw/zinc/06/10/17/1049061017.db2.gz FTBSLYNMQYLLFG-MQVJKMGUSA-N 1 0 368.441 2.965 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(c3ccc(C(=O)NC4CC4)cc3[N+](=O)[O-])C[C@@H]2C1 ZINC001333824317 1049132483 /nfs/dbraw/zinc/13/24/83/1049132483.db2.gz BXDLGVPDNCOHQQ-HLLBOEOZSA-N 1 0 372.469 2.654 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC001333928664 1049172049 /nfs/dbraw/zinc/17/20/49/1049172049.db2.gz KRUNVKIGAQXEBF-NZKYLMMGSA-N 1 0 357.454 2.887 20 5 FFBDRO O=C(N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC001341577117 1050203325 /nfs/dbraw/zinc/20/33/25/1050203325.db2.gz WUUYXDNIHHLHES-VQIMIIECSA-N 1 0 353.378 2.581 20 5 FFBDRO [NH3+]C[C@@H]1CN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC001342153894 1050746902 /nfs/dbraw/zinc/74/69/02/1050746902.db2.gz FTMRPFHAXFRMMR-AEFFLSMTSA-N 1 0 371.412 2.867 20 5 FFBDRO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC001342433371 1051030334 /nfs/dbraw/zinc/03/03/34/1051030334.db2.gz ZNYHSCCSMCSIST-HUUCEWRRSA-N 1 0 360.458 2.561 20 5 FFBDRO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)C[C@H]1CC[NH3+] ZINC001342449670 1051046719 /nfs/dbraw/zinc/04/67/19/1051046719.db2.gz QPOBNXABMNMCGA-HZPDHXFCSA-N 1 0 374.485 2.888 20 5 FFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001302177586 1051053576 /nfs/dbraw/zinc/05/35/76/1051053576.db2.gz GXDFGJVUVPBMCX-INIZCTEOSA-N 1 0 373.840 2.834 20 5 FFBDRO O=C(N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001340700801 1051065442 /nfs/dbraw/zinc/06/54/42/1051065442.db2.gz GSVMNPMTOCFPRV-CADBVGFASA-N 1 0 351.406 2.570 20 5 FFBDRO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC001342514856 1051115918 /nfs/dbraw/zinc/11/59/18/1051115918.db2.gz YWNGICMJHVQSMH-GHMZBOCLSA-N 1 0 357.863 2.702 20 5 FFBDRO CN(CC(=O)N1C[C@H](CC[NH3+])c2ccccc21)c1ccccc1[N+](=O)[O-] ZINC001340776526 1051126751 /nfs/dbraw/zinc/12/67/51/1051126751.db2.gz DHBKTRCGKARWSJ-AWEZNQCLSA-N 1 0 354.410 2.510 20 5 FFBDRO CCn1c(-c2cccc([N+](=O)[O-])c2C)nnc1N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC001342553199 1051156582 /nfs/dbraw/zinc/15/65/82/1051156582.db2.gz FWJPDNWCQJAXKB-IFXJQAMLSA-N 1 0 370.457 2.570 20 5 FFBDRO C[C@H]1CN(C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)CC[N@@H+]1C1CCCC1 ZINC001303545160 1051381983 /nfs/dbraw/zinc/38/19/83/1051381983.db2.gz XYKBQGSBIQTNFM-NSHDSACASA-N 1 0 366.849 2.919 20 5 FFBDRO O=C(Nc1ccc2c[nH+]cn2c1)c1cc([N+](=O)[O-])ccc1SCCO ZINC001304166320 1051561673 /nfs/dbraw/zinc/56/16/73/1051561673.db2.gz WGDQOVZYDXFJJT-UHFFFAOYSA-N 1 0 358.379 2.579 20 5 FFBDRO O=C(NC[C@H]1CCCCC[NH2+]1)c1ccc(Br)cc1[N+](=O)[O-] ZINC001343084760 1051702084 /nfs/dbraw/zinc/70/20/84/1051702084.db2.gz ISFPOTZAPJACDC-LLVKDONJSA-N 1 0 356.220 2.619 20 5 FFBDRO C[C@@H]1[C@H](C)[NH2+]C[C@H](C)N1C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC001344845485 1052056556 /nfs/dbraw/zinc/05/65/56/1052056556.db2.gz BRDAWFRTFDLBLL-HRCADAONSA-N 1 0 363.461 2.752 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CC([NH2+]C3CCOCC3)C2)nc1-c1ccc(F)cc1 ZINC001307208402 1052267677 /nfs/dbraw/zinc/26/76/77/1052267677.db2.gz HTCLHZAXUVCJRA-UHFFFAOYSA-N 1 0 372.400 2.753 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)C[C@H]2C1 ZINC001343514678 1052276455 /nfs/dbraw/zinc/27/64/55/1052276455.db2.gz LTNUCONTZFDYIM-RRFJBIMHSA-N 1 0 356.426 2.878 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)C[C@H]2C1 ZINC001343514677 1052276971 /nfs/dbraw/zinc/27/69/71/1052276971.db2.gz LTNUCONTZFDYIM-RBSFLKMASA-N 1 0 356.426 2.878 20 5 FFBDRO COC(=O)C[C@](C)([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C1CC1 ZINC001308017083 1052384731 /nfs/dbraw/zinc/38/47/31/1052384731.db2.gz ROXXWDMARDVOLD-SFHVURJKSA-N 1 0 363.414 2.553 20 5 FFBDRO C[C@H](c1ccccc1)[NH+]1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC001308039245 1052389533 /nfs/dbraw/zinc/38/95/33/1052389533.db2.gz JSGAPEHAXYVDHB-MRXNPFEDSA-N 1 0 368.437 2.912 20 5 FFBDRO C[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)NC(=O)NC1CCCCC1 ZINC001308069831 1052398549 /nfs/dbraw/zinc/39/85/49/1052398549.db2.gz GKPBJAWCWYBFCY-CHWSQXEVSA-N 1 0 362.430 2.792 20 5 FFBDRO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C(C)(C)C(=O)OC ZINC001308100202 1052405974 /nfs/dbraw/zinc/40/59/74/1052405974.db2.gz DJNSTYQHVHUQQL-UHFFFAOYSA-N 1 0 351.403 2.505 20 5 FFBDRO COc1cc(C[NH2+][C@@H](C)c2ccc(NC(N)=O)cc2)c([N+](=O)[O-])cc1O ZINC001308261994 1052438492 /nfs/dbraw/zinc/43/84/92/1052438492.db2.gz UUDVOHNKGCNISX-JTQLQIEISA-N 1 0 360.370 2.650 20 5 FFBDRO Cc1cc(C(=O)N[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc([N+](=O)[O-])c1 ZINC001345560174 1052510110 /nfs/dbraw/zinc/51/01/10/1052510110.db2.gz NJGBETPCFNYBAT-XLIONFOSSA-N 1 0 367.405 2.889 20 5 FFBDRO O=[N+]([O-])c1cc(CNC[C@H]2C[NH2+]CCC2(F)F)ccc1N1CCCCC1 ZINC000903957874 1052565774 /nfs/dbraw/zinc/56/57/74/1052565774.db2.gz TZIFSBSJWQAILQ-OAHLLOKOSA-N 1 0 368.428 2.920 20 5 FFBDRO C[C@H](CNC(=O)NCc1ccc2c(c1)C[NH2+]C2)c1ccccc1[N+](=O)[O-] ZINC001335552784 1053430269 /nfs/dbraw/zinc/43/02/69/1053430269.db2.gz AMVRYQZUVJTJPP-CYBMUJFWSA-N 1 0 354.410 2.801 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])c4cccnc34)C[C@@H]2C1 ZINC001335653280 1053489685 /nfs/dbraw/zinc/48/96/85/1053489685.db2.gz RKJGNPJQKAREKX-QLFBSQMISA-N 1 0 368.437 2.945 20 5 FFBDRO CC(C)[NH2+]C1(CO)CCN(c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC1 ZINC001335857959 1053605882 /nfs/dbraw/zinc/60/58/82/1053605882.db2.gz VORFJWPNTUXPTJ-UHFFFAOYSA-N 1 0 361.364 2.943 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC001336168769 1053810335 /nfs/dbraw/zinc/81/03/35/1053810335.db2.gz CRRXQTWYASRMML-XWCCPHMRSA-N 1 0 357.454 2.887 20 5 FFBDRO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)N(Cc3ccccc3[N+](=O)[O-])C3CC3)[C@H]2C1 ZINC001348312207 1054624881 /nfs/dbraw/zinc/62/48/81/1054624881.db2.gz VBRUWTNTGMZREC-JQFCIGGWSA-N 1 0 358.442 2.609 20 5 FFBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)CCc3ccco3)c2)CC1 ZINC001337703885 1054959128 /nfs/dbraw/zinc/95/91/28/1054959128.db2.gz NOAOJICVQJRJRU-UHFFFAOYSA-N 1 0 358.398 2.511 20 5 FFBDRO COCC[NH+]1CCC(OC(=O)c2cc([N+](=O)[O-])ccc2SC)CC1 ZINC001348989621 1055037820 /nfs/dbraw/zinc/03/78/20/1055037820.db2.gz HPUGMMFJCBXEPQ-UHFFFAOYSA-N 1 0 354.428 2.584 20 5 FFBDRO O=c1cc(-c2nc([C@@H]3C[NH+]4CCC3CC4)no2)c2cc([N+](=O)[O-])ccc2[nH]1 ZINC001337916051 1055102339 /nfs/dbraw/zinc/10/23/39/1055102339.db2.gz GWLKLYRGBBTYSI-CQSZACIVSA-N 1 0 367.365 2.708 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)C[C@@H]2C1 ZINC001352168053 1055237703 /nfs/dbraw/zinc/23/77/03/1055237703.db2.gz BSKKWMIRUVMCEZ-VNQPRFMTSA-N 1 0 370.453 2.807 20 5 FFBDRO Cc1c(CNC(=O)[C@@H]2C[NH2+]C[C@H]2Cc2ccccc2)cccc1[N+](=O)[O-] ZINC001357536574 1055937102 /nfs/dbraw/zinc/93/71/02/1055937102.db2.gz SHMCKCCXKBINSK-QZTJIDSGSA-N 1 0 353.422 2.598 20 5 FFBDRO C[N@@H+]1C[C@@]23CN(C(=O)NCc4ccc([N+](=O)[O-])cc4)C[C@]2(C1)CCCC3 ZINC001353168952 1056145480 /nfs/dbraw/zinc/14/54/80/1056145480.db2.gz AKLNJVCCJNXAAL-KDURUIRLSA-N 1 0 358.442 2.612 20 5 FFBDRO C[C@@H](CC(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-])n1cccc1 ZINC001339184721 1056177964 /nfs/dbraw/zinc/17/79/64/1056177964.db2.gz KHXVGGWBCSPAPD-HNNXBMFYSA-N 1 0 371.441 2.738 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC001358250615 1056218005 /nfs/dbraw/zinc/21/80/05/1056218005.db2.gz MADJQWHXFCDVCO-AWEZNQCLSA-N 1 0 361.442 2.845 20 5 FFBDRO CC[NH+](CC)C1CCN(c2nnc(-c3ccc([N+](=O)[O-])s3)n2C)CC1 ZINC001339440913 1056455069 /nfs/dbraw/zinc/45/50/69/1056455069.db2.gz QXJOIQBPPYAYLG-UHFFFAOYSA-N 1 0 364.475 2.762 20 5 FFBDRO CCn1c(C[N+](=O)[O-])nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001339454184 1056470386 /nfs/dbraw/zinc/47/03/86/1056470386.db2.gz HMXAWZDAEQQNGH-NVXWUHKLSA-N 1 0 372.473 2.564 20 5 FFBDRO CC[N@H+](CCCNC(=O)c1[nH]nc([N+](=O)[O-])c1Cl)C1CCCCC1 ZINC001300338052 1056524851 /nfs/dbraw/zinc/52/48/51/1056524851.db2.gz PNOZOWFRHMSJNJ-UHFFFAOYSA-N 1 0 357.842 2.746 20 5 FFBDRO C[C@@H](OC(=O)c1ccnc(OCC[NH+](C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC001353709023 1056662417 /nfs/dbraw/zinc/66/24/17/1056662417.db2.gz UNHSVZFCPGINAE-CYBMUJFWSA-N 1 0 359.382 2.848 20 5 FFBDRO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)c1c(Cl)cccc1[N+](=O)[O-] ZINC001443475477 1058211642 /nfs/dbraw/zinc/21/16/42/1058211642.db2.gz DJVCYDRUIAEXIS-CYBMUJFWSA-N 1 0 367.833 2.621 20 5 FFBDRO CC[C@H](C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)N1CCO[C@@H](CC)C1 ZINC001445407698 1058400492 /nfs/dbraw/zinc/40/04/92/1058400492.db2.gz BGQVAGSLKYEDKF-DLBZAZTESA-N 1 0 363.458 2.836 20 5 FFBDRO C[NH+]1CCC(CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)(c2ccccc2)CC1 ZINC001454284770 1059487691 /nfs/dbraw/zinc/48/76/91/1059487691.db2.gz MQTZESDLDWTDIR-UHFFFAOYSA-N 1 0 368.437 2.570 20 5 FFBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001454581669 1059572749 /nfs/dbraw/zinc/57/27/49/1059572749.db2.gz YKOYALITGUSNBE-MRXNPFEDSA-N 1 0 365.389 2.998 20 5 FFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC[C@@H]1CCC[NH2+]CC1 ZINC001515773222 1059787827 /nfs/dbraw/zinc/78/78/27/1059787827.db2.gz OEBXMDRCIVXTGH-ZIAGYGMSSA-N 1 0 351.472 2.971 20 5 FFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC[C@H]1CCC[NH2+]CC1 ZINC001515773216 1059788132 /nfs/dbraw/zinc/78/81/32/1059788132.db2.gz OEBXMDRCIVXTGH-KBPBESRZSA-N 1 0 351.472 2.971 20 5 FFBDRO C[NH+](C)CCOc1cc(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)ccn1 ZINC001455991682 1059974720 /nfs/dbraw/zinc/97/47/20/1059974720.db2.gz NYXCEFWSGHMTJU-UHFFFAOYSA-N 1 0 364.789 2.836 20 5 FFBDRO CC[NH+](CC)CC[C@@H](NC(=O)c1nn(C)cc1[N+](=O)[O-])c1ccccc1 ZINC001355202255 1059986541 /nfs/dbraw/zinc/98/65/41/1059986541.db2.gz ICNHOYABAAJGQR-OAHLLOKOSA-N 1 0 359.430 2.531 20 5 FFBDRO O=C1[C@@H](c2ccc([N+](=O)[O-])cc2)CCN1C[NH+]1CCC2(CCOCC2)CC1 ZINC000848486085 1060130691 /nfs/dbraw/zinc/13/06/91/1060130691.db2.gz BZGLCFGOFRJIPS-GOSISDBHSA-N 1 0 373.453 2.761 20 5 FFBDRO COc1ccc(OC)c([C@H](O)C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000848522839 1060214092 /nfs/dbraw/zinc/21/40/92/1060214092.db2.gz YJAALBOFZSDHOU-FUHWJXTLSA-N 1 0 358.394 2.923 20 5 FFBDRO O=C(N1CC[C@H](C[NH+]2CCCC2)C1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848584133 1060309813 /nfs/dbraw/zinc/30/98/13/1060309813.db2.gz OWZXSAGCCVYYJM-CYBMUJFWSA-N 1 0 369.368 2.511 20 5 FFBDRO Cc1cc(C(=O)N[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)ccc1[N+](=O)[O-] ZINC001355560515 1060360740 /nfs/dbraw/zinc/36/07/40/1060360740.db2.gz ZTCPUYMZGVFMHT-JXFKEZNVSA-N 1 0 367.405 2.889 20 5 FFBDRO CC(C)Cc1ccc([C@@H](CNc2ncc([N+](=O)[O-])c(N)n2)[NH+](C)C)cc1 ZINC001458411486 1060585386 /nfs/dbraw/zinc/58/53/86/1060585386.db2.gz BFTSCJROLKBTTH-OAHLLOKOSA-N 1 0 358.446 2.880 20 5 FFBDRO CC(C)Cc1ccc([C@H](CNc2ncc([N+](=O)[O-])c(N)n2)[NH+](C)C)cc1 ZINC001458411483 1060585951 /nfs/dbraw/zinc/58/59/51/1060585951.db2.gz BFTSCJROLKBTTH-HNNXBMFYSA-N 1 0 358.446 2.880 20 5 FFBDRO CC[C@H]1C[N@H+](C)CCCN1c1ncc([N+](=O)[O-])c(C)c1Br ZINC001458458605 1060594991 /nfs/dbraw/zinc/59/49/91/1060594991.db2.gz XIBAYZXNIDJCFL-NSHDSACASA-N 1 0 357.252 2.981 20 5 FFBDRO O=C([C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001521546928 1060955771 /nfs/dbraw/zinc/95/57/71/1060955771.db2.gz OEGFJHYFRRCHFF-QFHJOOASSA-N 1 0 357.454 2.937 20 5 FFBDRO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001460602310 1061029057 /nfs/dbraw/zinc/02/90/57/1061029057.db2.gz AFOQLRRWBKNWFY-INWMFGNUSA-N 1 0 365.430 2.616 20 5 FFBDRO O=[N+]([O-])c1cccc2ncnc(NCC3([NH+]4CCCC4)CCOCC3)c21 ZINC000543436785 1061034781 /nfs/dbraw/zinc/03/47/81/1061034781.db2.gz MBSHHEQJAXGCMR-UHFFFAOYSA-N 1 0 357.414 2.595 20 5 FFBDRO O=C1[C@H]([N@@H+]2CCC[C@@H](C3CCOCC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC001460834774 1061120941 /nfs/dbraw/zinc/12/09/41/1061120941.db2.gz NNBYRLLFUFTTAV-VQIMIIECSA-N 1 0 373.453 2.839 20 5 FFBDRO COc1ccc(C[C@@](C)([NH3+])CNc2ncnc3cccc([N+](=O)[O-])c32)cc1 ZINC000544392884 1061125602 /nfs/dbraw/zinc/12/56/02/1061125602.db2.gz FMHRCMBPQFTCDL-LJQANCHMSA-N 1 0 367.409 2.919 20 5 FFBDRO COCC[C@@H](C[NH2+]CCc1cccc([N+](=O)[O-])c1)NC(=O)OC(C)(C)C ZINC001461410414 1061310813 /nfs/dbraw/zinc/31/08/13/1061310813.db2.gz KVLMQQZCCPCJNA-HNNXBMFYSA-N 1 0 367.446 2.657 20 5 FFBDRO CO[C@@]1(C[NH2+]Cc2c(Br)cccc2[N+](=O)[O-])CCSC1 ZINC001461781914 1061405493 /nfs/dbraw/zinc/40/54/93/1061405493.db2.gz XJVGPUJGMZHLQU-CYBMUJFWSA-N 1 0 361.261 2.969 20 5 FFBDRO [NH3+]Cc1ccc2c(c1)N(C(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)CCO2 ZINC001522249103 1061804727 /nfs/dbraw/zinc/80/47/27/1061804727.db2.gz LEYUVKRXQXBLRA-HOTGVXAUSA-N 1 0 353.378 2.583 20 5 FFBDRO C[N@@H+]1CCCC[C@@H]1CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001463224177 1062003106 /nfs/dbraw/zinc/00/31/06/1062003106.db2.gz SCNLOSGQLYTADA-CQSZACIVSA-N 1 0 360.439 2.932 20 5 FFBDRO Cc1cc(S(=O)(=O)NCCCCC[NH+]2CCCC2)c([N+](=O)[O-])s1 ZINC001463781923 1062259211 /nfs/dbraw/zinc/25/92/11/1062259211.db2.gz AVRXHCOKRLPUPV-UHFFFAOYSA-N 1 0 361.489 2.509 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])s1)N1C[C@H](C[C@H]2COCC[NH2+]2)c2ccccc21 ZINC001523288239 1062424225 /nfs/dbraw/zinc/42/42/25/1062424225.db2.gz WYTNUFAHQMBKHF-STQMWFEESA-N 1 0 373.434 2.779 20 5 FFBDRO O=C(NCCC[N@H+](Cc1ccc(Cl)s1)C1CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001479868355 1063012172 /nfs/dbraw/zinc/01/21/72/1063012172.db2.gz DLFNGLURWFGPRX-CHWSQXEVSA-N 1 0 357.863 2.537 20 5 FFBDRO COc1ccc(CC(=O)N2[C@@H](C)CCC[C@H]2CC[NH+](C)C)cc1[N+](=O)[O-] ZINC001533416202 1063292878 /nfs/dbraw/zinc/29/28/78/1063292878.db2.gz AXOZKACLHXNZAE-HOCLYGCPSA-N 1 0 363.458 2.867 20 5 FFBDRO C[C@H](CNC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](C)C1 ZINC001441359653 1063428215 /nfs/dbraw/zinc/42/82/15/1063428215.db2.gz HCQVPESHTQDPFL-WDEREUQCSA-N 1 0 354.838 2.681 20 5 FFBDRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)Nc1ccc([N+](=O)[O-])c2ccccc12 ZINC001467548692 1063777586 /nfs/dbraw/zinc/77/75/86/1063777586.db2.gz UNSJGDYHXKYREI-UONOGXRCSA-N 1 0 370.409 2.733 20 5 FFBDRO COC1CC[NH+](CCNc2c3cccc(Cl)c3ncc2[N+](=O)[O-])CC1 ZINC001472713502 1065132373 /nfs/dbraw/zinc/13/23/73/1065132373.db2.gz MBNMJBRLOURXQU-UHFFFAOYSA-N 1 0 364.833 2.741 20 5 FFBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1cc(-c2nn[nH]n2)ccc1[N+](=O)[O-] ZINC001575969133 1078182749 /nfs/dbraw/zinc/18/27/49/1078182749.db2.gz IZGUHVWIDGVQFT-XQQFMLRXSA-N 1 0 359.434 2.553 20 5 FFBDRO O=[N+]([O-])CCN(Cc1ccncc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001473501368 1065274657 /nfs/dbraw/zinc/27/46/57/1065274657.db2.gz HXXHICPSKHRNPJ-HXUWFJFHSA-N 1 0 354.454 2.825 20 5 FFBDRO COC(=O)CC[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001473767811 1065352408 /nfs/dbraw/zinc/35/24/08/1065352408.db2.gz NDQYNFRSGCODTP-UONOGXRCSA-N 1 0 363.414 2.587 20 5 FFBDRO COc1ccc(C[NH2+]CCCCNC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC001474108111 1065457161 /nfs/dbraw/zinc/45/71/61/1065457161.db2.gz GEUNNYJMTJZUFM-UHFFFAOYSA-N 1 0 353.419 2.998 20 5 FFBDRO O=[N+]([O-])c1cccc(Br)c1C[NH2+][C@H]1CCn2ccnc2C1 ZINC001474120413 1065458514 /nfs/dbraw/zinc/45/85/14/1065458514.db2.gz ZQNFMYMIMBMMEZ-JTQLQIEISA-N 1 0 351.204 2.658 20 5 FFBDRO COC(=O)c1[nH]c2ccccc2c1CN(CC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC001474499219 1065536591 /nfs/dbraw/zinc/53/65/91/1065536591.db2.gz NOMKLZQXDCWQSB-UHFFFAOYSA-N 1 0 368.393 2.828 20 5 FFBDRO CCc1noc(C[C@]2(O)CCC[N@H+](Cc3c(C)ccc([N+](=O)[O-])c3C)C2)n1 ZINC001474633240 1065565658 /nfs/dbraw/zinc/56/56/58/1065565658.db2.gz ANLWCIUAIHHVAE-LJQANCHMSA-N 1 0 374.441 2.727 20 5 FFBDRO CC1(C)CC[C@@H](CNC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)[NH2+]C1 ZINC001576417468 1078226698 /nfs/dbraw/zinc/22/66/98/1078226698.db2.gz YTRJGGQQFNACPR-LBPRGKRZSA-N 1 0 354.838 2.826 20 5 FFBDRO C[C@]1(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])CC[NH2+]C1 ZINC001576541767 1078240800 /nfs/dbraw/zinc/24/08/00/1078240800.db2.gz PNAMVBABVZXYSP-IBGZPJMESA-N 1 0 355.394 2.656 20 5 FFBDRO C[C@H]1CC2(CN1C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1)CC[NH2+]CC2 ZINC001576639273 1078254392 /nfs/dbraw/zinc/25/43/92/1078254392.db2.gz ZNVCDTVKXJBUCG-JTQLQIEISA-N 1 0 355.797 2.992 20 5 FFBDRO CC[C@H]1[C@@H](C)CCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H](C)[NH3+] ZINC001577237418 1078321853 /nfs/dbraw/zinc/32/18/53/1078321853.db2.gz TXKKIEXLEBGRBN-ZENOOKHLSA-N 1 0 358.446 2.825 20 5 FFBDRO CCC[NH2+]CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H]2CCC[C@@H]21 ZINC001577561587 1078376510 /nfs/dbraw/zinc/37/65/10/1078376510.db2.gz FEVPCIMVDVRZRG-RDJZCZTQSA-N 1 0 370.457 2.842 20 5 FFBDRO CC[NH2+]CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](C(C)C)C1 ZINC001577857965 1078408535 /nfs/dbraw/zinc/40/85/35/1078408535.db2.gz MXUDRRUMVAVUEN-MRXNPFEDSA-N 1 0 372.473 2.945 20 5 FFBDRO CN(CC1CCC1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[NH2+]C1CC1 ZINC001578450089 1078474751 /nfs/dbraw/zinc/47/47/51/1078474751.db2.gz GSORZTZRTOOTDE-UHFFFAOYSA-N 1 0 370.457 2.842 20 5 FFBDRO CN(CCCCCC[NH3+])C(=O)c1cccc([N+](=O)[O-])c1Br ZINC001578465084 1078476632 /nfs/dbraw/zinc/47/66/32/1078476632.db2.gz PCKOOODDEJGEOF-UHFFFAOYSA-N 1 0 358.236 2.948 20 5 FFBDRO CN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCC[NH2+]1)C1CCC1 ZINC001578508136 1078485476 /nfs/dbraw/zinc/48/54/76/1078485476.db2.gz BIYKSMALIZCZFX-CQSZACIVSA-N 1 0 356.430 2.594 20 5 FFBDRO C[NH2+]C[C@@H](C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H]1C ZINC001578629512 1078505972 /nfs/dbraw/zinc/50/59/72/1078505972.db2.gz NOCWIDYHCBUSLP-ZIAGYGMSSA-N 1 0 358.446 2.698 20 5 FFBDRO COc1cc(OCC(=O)Nc2ccc(C(C)(C)[NH3+])cc2)ccc1[N+](=O)[O-] ZINC001579170795 1078580784 /nfs/dbraw/zinc/58/07/84/1078580784.db2.gz DXNKPJZHWFPFRR-UHFFFAOYSA-N 1 0 359.382 2.815 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H](CC[NH3+])Cc3ccccc32)c1 ZINC001579242690 1078599522 /nfs/dbraw/zinc/59/95/22/1078599522.db2.gz XTNGMTGJGQZKDK-CYBMUJFWSA-N 1 0 355.394 2.771 20 5 FFBDRO [NH3+]C[C@H](C(=O)NCc1cc([N+](=O)[O-])ccc1Cl)c1ccc(F)cc1 ZINC001580215283 1078766816 /nfs/dbraw/zinc/76/68/16/1078766816.db2.gz HETAVLYVVQSESE-AWEZNQCLSA-N 1 0 351.765 2.746 20 5 FFBDRO [NH3+]C[C@H]1CCc2ccccc2N1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC001580268703 1078778878 /nfs/dbraw/zinc/77/88/78/1078778878.db2.gz DZUVQRFGZDRSNB-OAHLLOKOSA-N 1 0 354.410 2.704 20 5 FFBDRO [NH3+][C@@H]1CN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C[C@H]1c1cccc(F)c1 ZINC001580391277 1078796070 /nfs/dbraw/zinc/79/60/70/1078796070.db2.gz ZONQVPSGPLPVDG-WMHOYKDJSA-N 1 0 355.369 2.700 20 5 FFBDRO O=C(NCc1cccc2c1CC[NH2+]C2)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC001580720419 1078851678 /nfs/dbraw/zinc/85/16/78/1078851678.db2.gz VNVAOMVNCSAHFH-UHFFFAOYSA-N 1 0 350.378 2.652 20 5 FFBDRO O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[C@H]1CCCCC12CC[NH2+]CC2 ZINC001580794040 1078862919 /nfs/dbraw/zinc/86/29/19/1078862919.db2.gz QCQGZDXYFRWDLD-CQSZACIVSA-N 1 0 357.414 2.970 20 5 FFBDRO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc21)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001580810173 1078868047 /nfs/dbraw/zinc/86/80/47/1078868047.db2.gz KKWIQKGDNCSOPG-ZIAGYGMSSA-N 1 0 356.426 2.928 20 5 FFBDRO C[NH+](C)CC[C@H]1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC001558293090 1075973826 /nfs/dbraw/zinc/97/38/26/1075973826.db2.gz MIEVHISUXIZVPB-NSHDSACASA-N 1 0 370.247 2.771 20 5 FFBDRO O=C(NC1CCN(c2cc[nH+]cc2)CC1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC001558799260 1076078708 /nfs/dbraw/zinc/07/87/08/1076078708.db2.gz DVMUJOLSTXALCO-UHFFFAOYSA-N 1 0 365.393 2.870 20 5 FFBDRO COc1cc(NCC2([NH+]3CCCC3)CCOCC2)c([N+](=O)[O-])cc1OC ZINC001559099566 1076125699 /nfs/dbraw/zinc/12/56/99/1076125699.db2.gz QSLTWZXGFFORBP-UHFFFAOYSA-N 1 0 365.430 2.669 20 5 FFBDRO COc1ccc2ncc([N+](=O)[O-])c(N[C@@H]3CCC[N@@H+]4CCSC[C@@H]34)c2c1 ZINC001559277869 1076144841 /nfs/dbraw/zinc/14/48/41/1076144841.db2.gz FTONSZGELDINQS-WBVHZDCISA-N 1 0 374.466 2.565 20 5 FFBDRO COC(=O)[C@@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@H](C)C1 ZINC001560165068 1076239612 /nfs/dbraw/zinc/23/96/12/1076239612.db2.gz AMKQBBPHMCPBEF-ZIAGYGMSSA-N 1 0 363.414 2.505 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+][C@@H](C)CCc2ccco2)cc1[N+](=O)[O-] ZINC001560249752 1076256735 /nfs/dbraw/zinc/25/67/35/1076256735.db2.gz GGWSRXXBWIURIB-ZDUSSCGKSA-N 1 0 362.382 2.851 20 5 FFBDRO COc1c(O)ccc(C[NH2+]CCc2c(F)cc(O)cc2F)c1[N+](=O)[O-] ZINC001561020245 1076320649 /nfs/dbraw/zinc/32/06/49/1076320649.db2.gz AVIZQBKMVKZIKM-UHFFFAOYSA-N 1 0 354.309 2.625 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC001561699921 1076409154 /nfs/dbraw/zinc/40/91/54/1076409154.db2.gz GBWWIQGQLYTJAI-CVEARBPZSA-N 1 0 367.471 2.507 20 5 FFBDRO C[C@@H]1CC[N@H+](CCNC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC001562575424 1076504595 /nfs/dbraw/zinc/50/45/95/1076504595.db2.gz NSMLPPRGEOGWNQ-SNVBAGLBSA-N 1 0 371.235 2.821 20 5 FFBDRO Cc1c(C(=O)NCC[N@@H+]2CCC(C)(C)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC001586242939 1079583133 /nfs/dbraw/zinc/58/31/33/1079583133.db2.gz VZZFPHAQXVCUDA-UHFFFAOYSA-N 1 0 364.402 2.582 20 5 FFBDRO Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)Cc3ccccc3[N+](=O)[O-])C2)cc1 ZINC001587795623 1079866265 /nfs/dbraw/zinc/86/62/65/1079866265.db2.gz FGKZMJAHMYIQIS-SFHVURJKSA-N 1 0 353.422 2.836 20 5 FFBDRO C[C@@H](CCNc1cc(-c2nn[nH]n2)sc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC001589831235 1080783033 /nfs/dbraw/zinc/78/30/33/1080783033.db2.gz UTXTZTRKEUQKNT-JTQLQIEISA-N 1 0 351.436 2.513 20 5 FFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@H](O)c1cccc(-c2nn[nH]n2)c1 ZINC001590052742 1080981118 /nfs/dbraw/zinc/98/11/18/1080981118.db2.gz TXBFOOOEOPNKBE-PXAZEXFGSA-N 1 0 368.397 2.501 20 5 FFBDRO CC1([NH+]2CCCCC2)CCN(c2ccc(-c3nn[nH]n3)c([N+](=O)[O-])c2)CC1 ZINC001590142934 1081048352 /nfs/dbraw/zinc/04/83/52/1081048352.db2.gz UMQZAJYNMFBEKN-UHFFFAOYSA-N 1 0 371.445 2.620 20 5 FFBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)NC3CC[NH+](C)CC3)cc2[N+](=O)[O-])C1 ZINC000031224308 249360464 /nfs/dbraw/zinc/36/04/64/249360464.db2.gz CVWIADLKRGMWBQ-GASCZTMLSA-N 1 0 374.485 2.901 20 5 FFBDRO Cn1ccnc1[C@@H](O)[C@@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000132008595 251037454 /nfs/dbraw/zinc/03/74/54/251037454.db2.gz MYQHJKAQTKZQEM-WBMJQRKESA-N 1 0 364.833 2.927 20 5 FFBDRO CC[N@H+](C)C[C@@H]1CCN(c2cc(Cl)c(C(=O)OC)cc2[N+](=O)[O-])C1 ZINC000268789364 251382937 /nfs/dbraw/zinc/38/29/37/251382937.db2.gz FXYUMADHSGHXMY-NSHDSACASA-N 1 0 355.822 2.813 20 5 FFBDRO C[NH+]1CCC([C@@H]2CCN(C(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)C2)CC1 ZINC000270043561 251451291 /nfs/dbraw/zinc/45/12/91/251451291.db2.gz AUQBGDZTOKGVJK-QGZVFWFLSA-N 1 0 370.453 2.740 20 5 FFBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000272425335 252035839 /nfs/dbraw/zinc/03/58/39/252035839.db2.gz CARKBRLVZRYJET-MLGOLLRUSA-N 1 0 366.849 2.874 20 5 FFBDRO C[C@@]1(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CCC[NH2+]C1 ZINC000272927244 252167004 /nfs/dbraw/zinc/16/70/04/252167004.db2.gz ABEBWFPFLKGGRQ-CQSZACIVSA-N 1 0 374.210 2.616 20 5 FFBDRO C[C@H](NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])C1=CC[N@H+](C)CC1 ZINC000272926883 252167156 /nfs/dbraw/zinc/16/71/56/252167156.db2.gz KSRFHBGAOMAEBW-LBPRGKRZSA-N 1 0 367.833 2.784 20 5 FFBDRO COCC[C@@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(C)o1 ZINC000273283428 252273583 /nfs/dbraw/zinc/27/35/83/252273583.db2.gz LIKLSDBOCMJIIJ-DOTOQJQBSA-N 1 0 364.398 2.603 20 5 FFBDRO CS[C@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)C[C@@H]1[NH+]1CCCC1 ZINC000273458055 252310305 /nfs/dbraw/zinc/31/03/05/252310305.db2.gz DWOGRQIHSINWGD-IRXDYDNUSA-N 1 0 363.483 2.566 20 5 FFBDRO CCN(CCC[NH+](C)C)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000276275565 256086527 /nfs/dbraw/zinc/08/65/27/256086527.db2.gz UTOFEELJNOPNLE-UHFFFAOYSA-N 1 0 362.474 2.611 20 5 FFBDRO CC(C)C[N@@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000276340527 256091459 /nfs/dbraw/zinc/09/14/59/256091459.db2.gz SGKGHZYEOJULGB-AWEZNQCLSA-N 1 0 369.487 2.778 20 5 FFBDRO CCOc1cc(C[NH2+][C@H]2CCO[C@@H]2c2c(C)nn(C)c2C)ccc1[N+](=O)[O-] ZINC000276880964 256139281 /nfs/dbraw/zinc/13/92/81/256139281.db2.gz ISVKJHCZNPVPPR-KXBFYZLASA-N 1 0 374.441 2.964 20 5 FFBDRO CCOC(CC[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)OCC ZINC000276533138 256108086 /nfs/dbraw/zinc/10/80/86/256108086.db2.gz NVYLQBZXTSTFPY-CYBMUJFWSA-N 1 0 353.419 2.691 20 5 FFBDRO O=C(NC1CC1)c1ccc(N2CCC([NH+]3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000277148705 256165828 /nfs/dbraw/zinc/16/58/28/256165828.db2.gz RCZOGVVYLULVMB-UHFFFAOYSA-N 1 0 372.469 2.942 20 5 FFBDRO COCCOCCOCCC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278399704 256308145 /nfs/dbraw/zinc/30/81/45/256308145.db2.gz FNMCWPYAUSMLTH-SFHVURJKSA-N 1 0 352.431 2.632 20 5 FFBDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@@H+]2CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000286545353 257042172 /nfs/dbraw/zinc/04/21/72/257042172.db2.gz OJFDDEJIYMADJC-XBRIKIQZSA-N 1 0 359.426 2.587 20 5 FFBDRO CNC(=O)CC[C@@H]1CCCC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000286581705 257043976 /nfs/dbraw/zinc/04/39/76/257043976.db2.gz VFVPEUMNTSMHBX-AWEZNQCLSA-N 1 0 373.413 2.526 20 5 FFBDRO O=c1ccc([N+](=O)[O-])cn1CCN1CCCn2c(cc3ccccc32)C1 ZINC000286830670 257057420 /nfs/dbraw/zinc/05/74/20/257057420.db2.gz BPNCMXHNVHDKDG-UHFFFAOYSA-N 1 0 352.394 2.617 20 5 FFBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1c1ncc(Br)cc1[N+](=O)[O-] ZINC000286403403 257035092 /nfs/dbraw/zinc/03/50/92/257035092.db2.gz PTOSQGLOOPKFLK-CMPLNLGQSA-N 1 0 355.236 2.815 20 5 FFBDRO O=c1[nH]c(N2CC[NH+](C3CCCCC3)CC2)nc2ccc([N+](=O)[O-])cc12 ZINC000286405315 257035526 /nfs/dbraw/zinc/03/55/26/257035526.db2.gz ZWYDWLAWGDESAD-UHFFFAOYSA-N 1 0 357.414 2.698 20 5 FFBDRO Cc1ccc2nc(CNC(=O)N(C)CCc3ccccc3[N+](=O)[O-])cn2c1 ZINC000287365915 257085627 /nfs/dbraw/zinc/08/56/27/257085627.db2.gz ZFRJOWVIIIGQLU-UHFFFAOYSA-N 1 0 367.409 2.935 20 5 FFBDRO CN(C)C(=O)COc1ccccc1C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000289351227 257275980 /nfs/dbraw/zinc/27/59/80/257275980.db2.gz JDIZDRCUBYATJV-UHFFFAOYSA-N 1 0 371.437 2.736 20 5 FFBDRO COCCC[NH+]1CCC(NC(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000289875001 257304032 /nfs/dbraw/zinc/30/40/32/257304032.db2.gz ZGRYQVNASUQLNE-UHFFFAOYSA-N 1 0 370.837 2.871 20 5 FFBDRO COc1ncccc1CC[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000290273890 257323299 /nfs/dbraw/zinc/32/32/99/257323299.db2.gz WLMCDYSFYNJEJK-CYBMUJFWSA-N 1 0 358.398 2.548 20 5 FFBDRO C[C@@H]([NH2+]C[C@](C)(O)CNC(=O)OC(C)(C)C)c1ccccc1[N+](=O)[O-] ZINC000289584932 257288761 /nfs/dbraw/zinc/28/87/61/257288761.db2.gz RQXLLEPPAKNVHI-PXAZEXFGSA-N 1 0 353.419 2.521 20 5 FFBDRO Cc1cnn([C@@H]2CC[N@@H+](Cc3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000290926141 257365366 /nfs/dbraw/zinc/36/53/66/257365366.db2.gz OMCGSBAWGAUJME-GOSISDBHSA-N 1 0 366.425 2.947 20 5 FFBDRO O=[N+]([O-])c1cncc(Br)c1N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000293157389 257534237 /nfs/dbraw/zinc/53/42/37/257534237.db2.gz UKVXTROUQVLQOT-NSHDSACASA-N 1 0 355.236 2.674 20 5 FFBDRO COc1ccc([C@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3)C[C@H]2[NH3+])cc1F ZINC000297335589 257818768 /nfs/dbraw/zinc/81/87/68/257818768.db2.gz XYVCLRYHGHAMRG-NVXWUHKLSA-N 1 0 373.384 2.700 20 5 FFBDRO COc1cccc([C@@H](CNc2c([N+](=O)[O-])c(C)nn2C)[NH+]2CCCC2)c1 ZINC000301243685 258036071 /nfs/dbraw/zinc/03/60/71/258036071.db2.gz AMWIPTNFSFVPAF-MRXNPFEDSA-N 1 0 359.430 2.894 20 5 FFBDRO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNc3sccc3[N+](=O)[O-])c2)C1 ZINC000302035768 258083312 /nfs/dbraw/zinc/08/33/12/258083312.db2.gz UPMUEQWQFOJTEO-HNNXBMFYSA-N 1 0 374.466 2.966 20 5 FFBDRO CNC(=O)c1ccc(N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000302163213 258092177 /nfs/dbraw/zinc/09/21/77/258092177.db2.gz IKQPPQZZDLMUAT-KBXCAEBGSA-N 1 0 368.437 2.887 20 5 FFBDRO CC[C@@H]1CN(c2ccc3ncc([N+](=O)[O-])n3n2)CC[N@@H+]1Cc1ccccc1 ZINC000302175635 258092995 /nfs/dbraw/zinc/09/29/95/258092995.db2.gz WWODALCBFRPHMQ-MRXNPFEDSA-N 1 0 366.425 2.738 20 5 FFBDRO C[NH+](C)[C@H](CNc1ncc([N+](=O)[O-])c(N)n1)c1cccc(C(F)(F)F)c1 ZINC000302213478 258095917 /nfs/dbraw/zinc/09/59/17/258095917.db2.gz FSZRMFIMTBUIGF-LLVKDONJSA-N 1 0 370.335 2.701 20 5 FFBDRO COC(=O)c1cnc(NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000302765563 258109887 /nfs/dbraw/zinc/10/98/87/258109887.db2.gz LLMFUDKKLRIQCV-YVEFUNNKSA-N 1 0 350.419 2.699 20 5 FFBDRO Cc1c(CO)cc([N+](=O)[O-])c(N[C@H]2CCC[C@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000301598898 258057919 /nfs/dbraw/zinc/05/79/19/258057919.db2.gz UFPHJTBMEWOSAP-STQMWFEESA-N 1 0 352.391 2.588 20 5 FFBDRO C[C@H]1C[C@H](N(C)C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000330783049 258170527 /nfs/dbraw/zinc/17/05/27/258170527.db2.gz HRWUWZBYUGSXLM-CMPLNLGQSA-N 1 0 357.357 2.751 20 5 FFBDRO CS[C@H]1CN(C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)C[C@@H]1[NH+](C)C ZINC000331079779 258176882 /nfs/dbraw/zinc/17/68/82/258176882.db2.gz YKMPXSKXLUWNON-GJZGRUSLSA-N 1 0 352.460 2.721 20 5 FFBDRO CC(C)c1n[nH]c(C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000331215235 258180073 /nfs/dbraw/zinc/18/00/73/258180073.db2.gz NXSVDUHZHZWMMB-LBPRGKRZSA-N 1 0 351.451 2.682 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)NCC3CC[NH+](C)CC3)cc2[N+](=O)[O-])C1 ZINC000332066330 258212555 /nfs/dbraw/zinc/21/25/55/258212555.db2.gz SDOGZPTZMKQEGV-OAHLLOKOSA-N 1 0 374.485 2.903 20 5 FFBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000332249325 258221107 /nfs/dbraw/zinc/22/11/07/258221107.db2.gz XRVXRJRIMSZKDF-LBPRGKRZSA-N 1 0 370.247 2.914 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N3CC[C@@H]([NH+](C)C)C3)cc2[N+](=O)[O-])C1 ZINC000332431003 258230342 /nfs/dbraw/zinc/23/03/42/258230342.db2.gz WSEFSLSJHUGMPS-GDBMZVCRSA-N 1 0 360.458 2.607 20 5 FFBDRO Cc1c(NC(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cccc1[N+](=O)[O-] ZINC000332546541 258234616 /nfs/dbraw/zinc/23/46/16/258234616.db2.gz NEYOEKKNERZBGY-YOEHRIQHSA-N 1 0 362.430 2.653 20 5 FFBDRO C[NH+](C)CCCNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000072510212 221556910 /nfs/dbraw/zinc/55/69/10/221556910.db2.gz AHSCDUBSXDPIIQ-UHFFFAOYSA-N 1 0 356.426 2.888 20 5 FFBDRO Cn1ccnc1[C@@H]1CCCN(c2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000373056037 512150891 /nfs/dbraw/zinc/15/08/91/512150891.db2.gz GWYWOGMHZXHPEM-SNVBAGLBSA-N 1 0 366.219 2.870 20 5 FFBDRO C[C@H](Cn1cc(Br)cn1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000123227323 508655053 /nfs/dbraw/zinc/65/50/53/508655053.db2.gz NINFPPDAJVTUOV-LLVKDONJSA-N 1 0 353.220 2.775 20 5 FFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000053372779 506366244 /nfs/dbraw/zinc/36/62/44/506366244.db2.gz MFIBORJCAGGIGF-GOSISDBHSA-N 1 0 354.410 2.865 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@]2(C1)C(=O)Nc1ccccc12 ZINC000377213102 512169048 /nfs/dbraw/zinc/16/90/48/512169048.db2.gz FVVXUWWWXODCHV-LJQANCHMSA-N 1 0 353.378 2.699 20 5 FFBDRO Cn1cc(N2CC[C@H]([NH2+][C@@H]3CCC[C@H]3Cc3ccccc3[N+](=O)[O-])C2)cn1 ZINC000366755472 512172690 /nfs/dbraw/zinc/17/26/90/512172690.db2.gz AYNHOFGYYAVLQY-VDZJLULYSA-N 1 0 369.469 2.908 20 5 FFBDRO C[C@H]1CN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)[C@@H](C)C[NH2+]1 ZINC000415686468 513379250 /nfs/dbraw/zinc/37/92/50/513379250.db2.gz AJFBRCVUGSFEFM-IUCAKERBSA-N 1 0 357.208 2.571 20 5 FFBDRO CNC(=O)c1ccc(N2CCC[C@@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)c([N+](=O)[O-])c1 ZINC000053573704 506408650 /nfs/dbraw/zinc/40/86/50/506408650.db2.gz XCADOIVKZFPPCA-IJEWVQPXSA-N 1 0 360.458 2.796 20 5 FFBDRO CCOc1ccc(C(=O)NCc2ccc(C[NH+](C)C)cc2)cc1[N+](=O)[O-] ZINC000006983799 506522270 /nfs/dbraw/zinc/52/22/70/506522270.db2.gz MOLTVVDLGUNJCE-UHFFFAOYSA-N 1 0 357.410 2.985 20 5 FFBDRO C[C@H]1C[NH2+]CCN1c1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000054375248 506545770 /nfs/dbraw/zinc/54/57/70/506545770.db2.gz PRVGTXAWQSIIJO-VIFPVBQESA-N 1 0 351.204 2.704 20 5 FFBDRO C[NH+](C)C1(CNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CCCCC1 ZINC000041764202 506546232 /nfs/dbraw/zinc/54/62/32/506546232.db2.gz LWFDRAAOQHSATD-UHFFFAOYSA-N 1 0 371.441 2.775 20 5 FFBDRO CCc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])cnc2C)[NH+](C)C)cc1 ZINC000041904248 506566299 /nfs/dbraw/zinc/56/62/99/506566299.db2.gz VBHSEIFYEOWVLA-SFHVURJKSA-N 1 0 356.426 2.893 20 5 FFBDRO Cc1occc1C(=O)NC1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000066890124 506682703 /nfs/dbraw/zinc/68/27/03/506682703.db2.gz XYSADEAQRMVSBD-UHFFFAOYSA-N 1 0 373.409 2.769 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[NH+](CCC(C)(C)C)CC1 ZINC000055936300 506891528 /nfs/dbraw/zinc/89/15/28/506891528.db2.gz KIAIEMGBNKSQQJ-UHFFFAOYSA-N 1 0 362.474 2.896 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000045465038 506971088 /nfs/dbraw/zinc/97/10/88/506971088.db2.gz BKTGTLFTYXDQOJ-AWEZNQCLSA-N 1 0 369.421 2.780 20 5 FFBDRO C[NH+](C)CCOc1ccc(CNC(=O)NCc2ccccc2[N+](=O)[O-])cc1 ZINC000045622708 506993443 /nfs/dbraw/zinc/99/34/43/506993443.db2.gz QJTWZBSAXSSQOR-UHFFFAOYSA-N 1 0 372.425 2.535 20 5 FFBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H](c3nc(C4CC4)no3)C2)c2c(c1)COCO2 ZINC000375409673 512311703 /nfs/dbraw/zinc/31/17/03/512311703.db2.gz XTDGGIQZHTYIEE-LBPRGKRZSA-N 1 0 372.381 2.711 20 5 FFBDRO C[NH+]1CCN(Cc2cccc(NC(=O)c3cccc([N+](=O)[O-])c3)c2)CC1 ZINC000057054973 507161982 /nfs/dbraw/zinc/16/19/82/507161982.db2.gz CXYGNQXIBHWKSU-UHFFFAOYSA-N 1 0 354.410 2.595 20 5 FFBDRO Cc1cc(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)ccc1[N+](=O)[O-] ZINC000057166802 507193168 /nfs/dbraw/zinc/19/31/68/507193168.db2.gz QWXLYIGURYQJHX-UHFFFAOYSA-N 1 0 354.410 2.693 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC[NH+]1CCC(C)CC1 ZINC000068353225 507199383 /nfs/dbraw/zinc/19/93/83/507199383.db2.gz VHMNHHUTRVNLFI-CYBMUJFWSA-N 1 0 369.849 2.864 20 5 FFBDRO CCCC[NH+]1CCC(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC1 ZINC000068443481 507235437 /nfs/dbraw/zinc/23/54/37/507235437.db2.gz MQXUGURLKQOKQA-UHFFFAOYSA-N 1 0 371.441 2.775 20 5 FFBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000047038423 507254666 /nfs/dbraw/zinc/25/46/66/507254666.db2.gz BWCFVNZVYOMSFW-IYBDPMFKSA-N 1 0 363.458 2.848 20 5 FFBDRO O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCC[NH+]1CCCCC1 ZINC000047140110 507271215 /nfs/dbraw/zinc/27/12/15/507271215.db2.gz RJPWYSODUSBZCI-UHFFFAOYSA-N 1 0 363.461 2.757 20 5 FFBDRO C[C@@H](CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)[N@H+](C)C1CC1 ZINC000057705545 507311497 /nfs/dbraw/zinc/31/14/97/507311497.db2.gz UEUKNUVGWYBGAY-NSHDSACASA-N 1 0 360.439 2.931 20 5 FFBDRO O=C(NC1CC1)[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000068951220 507367833 /nfs/dbraw/zinc/36/78/33/507367833.db2.gz XUIQOWRXCCAZER-GOSISDBHSA-N 1 0 355.394 2.583 20 5 FFBDRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000058298705 507401411 /nfs/dbraw/zinc/40/14/11/507401411.db2.gz SWHGESNOULEQPW-HOTGVXAUSA-N 1 0 358.442 2.552 20 5 FFBDRO O=C(NCCC[NH+]1CCCCCC1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000069617399 507524271 /nfs/dbraw/zinc/52/42/71/507524271.db2.gz PTHINACRFKIJMY-UHFFFAOYSA-N 1 0 371.441 2.776 20 5 FFBDRO O=C(CCN1CC[NH+](Cc2cccs2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000026257104 507571944 /nfs/dbraw/zinc/57/19/44/507571944.db2.gz XRLQSHFVLQVTGB-UHFFFAOYSA-N 1 0 374.466 2.803 20 5 FFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000070928565 507663889 /nfs/dbraw/zinc/66/38/89/507663889.db2.gz IKEVWFDIZQPUPJ-UHFFFAOYSA-N 1 0 354.410 2.565 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC2CC[NH+](CC3CCCC3)CC2)c1 ZINC000063271807 507709260 /nfs/dbraw/zinc/70/92/60/507709260.db2.gz RFRNVTOSJAEXMG-UHFFFAOYSA-N 1 0 361.442 2.988 20 5 FFBDRO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000051051068 507728424 /nfs/dbraw/zinc/72/84/24/507728424.db2.gz YRLXKXFDNLTPGN-JKSUJKDBSA-N 1 0 363.458 2.990 20 5 FFBDRO C[C@H]1CCC[N@H+](Cc2ccccc2CNc2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000071954877 507728852 /nfs/dbraw/zinc/72/88/52/507728852.db2.gz OAFIFUJXPITLBL-ZDUSSCGKSA-N 1 0 356.430 2.811 20 5 FFBDRO O=C(COc1ccccc1[N+](=O)[O-])N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000029177284 507766257 /nfs/dbraw/zinc/76/62/57/507766257.db2.gz YBFMVOVXGBTCSM-QGZVFWFLSA-N 1 0 369.421 2.927 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000064736459 507807579 /nfs/dbraw/zinc/80/75/79/507807579.db2.gz SJMFTISOCLWLCK-GFCCVEGCSA-N 1 0 367.833 2.570 20 5 FFBDRO O=[N+]([O-])c1c(NC2CC[NH+](Cc3ccccn3)CC2)nc2sccn21 ZINC000052407589 507808172 /nfs/dbraw/zinc/80/81/72/507808172.db2.gz ZTCMWLYGJGXZHR-UHFFFAOYSA-N 1 0 358.427 2.776 20 5 FFBDRO CC(C)([NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1nccs1 ZINC000072662626 507839253 /nfs/dbraw/zinc/83/92/53/507839253.db2.gz TUQHIRWRAZMHON-UHFFFAOYSA-N 1 0 362.411 2.874 20 5 FFBDRO CC(=O)Nc1cccc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000072665054 507840290 /nfs/dbraw/zinc/84/02/90/507840290.db2.gz QRURRDVHZYQUME-INIZCTEOSA-N 1 0 355.398 2.635 20 5 FFBDRO CCOc1ccccc1OCC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072664948 507840320 /nfs/dbraw/zinc/84/03/20/507840320.db2.gz GAISNWYUGXCJFQ-HNNXBMFYSA-N 1 0 372.425 2.954 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC[C@H](C[NH+]3CCOCC3)C2)c2ncccc12 ZINC000078250031 507849931 /nfs/dbraw/zinc/84/99/31/507849931.db2.gz TUTOKZYDXXCUIA-OAHLLOKOSA-N 1 0 356.426 2.692 20 5 FFBDRO CN(CC[C@H]1CCCC[N@@H+]1C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000072759321 507850366 /nfs/dbraw/zinc/85/03/66/507850366.db2.gz SRIYIEXNBAZHON-OAHLLOKOSA-N 1 0 359.430 2.951 20 5 FFBDRO CCOC[C@H]1CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000072976367 507878902 /nfs/dbraw/zinc/87/89/02/507878902.db2.gz WPRFEYRYOMUZKU-AWEZNQCLSA-N 1 0 365.430 2.681 20 5 FFBDRO CCCNC(=O)[C@H]1CCC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000089891305 507879458 /nfs/dbraw/zinc/87/94/58/507879458.db2.gz VRXFGACAGNEZGV-HNNXBMFYSA-N 1 0 372.425 2.988 20 5 FFBDRO C[NH+](C)[C@@H](CNC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000108556616 507903919 /nfs/dbraw/zinc/90/39/19/507903919.db2.gz OBSOCOBHGJVABE-KRWDZBQOSA-N 1 0 361.373 2.532 20 5 FFBDRO CC[NH+]1CCN(CCNc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1 ZINC000090070503 507905921 /nfs/dbraw/zinc/90/59/21/507905921.db2.gz ZTBHQOFKKOIVJI-UHFFFAOYSA-N 1 0 355.442 2.706 20 5 FFBDRO Cc1ccc([C@@H](C)[NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)cc1[N+](=O)[O-] ZINC000090231574 507916204 /nfs/dbraw/zinc/91/62/04/507916204.db2.gz ARIBQVZRKFXPHX-CYBMUJFWSA-N 1 0 367.471 2.510 20 5 FFBDRO CC[NH+](CC)Cc1cccc(CNC(=O)CCn2cc([N+](=O)[O-])nc2C)c1 ZINC000109776102 507986451 /nfs/dbraw/zinc/98/64/51/507986451.db2.gz JEGOELYOQFAONI-UHFFFAOYSA-N 1 0 373.457 2.648 20 5 FFBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000079771254 507999969 /nfs/dbraw/zinc/99/99/69/507999969.db2.gz MMOIPWPUZUVUJQ-NSHDSACASA-N 1 0 356.220 2.571 20 5 FFBDRO COc1cc(N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000091478514 507988703 /nfs/dbraw/zinc/98/87/03/507988703.db2.gz CYMWFYKTGCVKBH-GASCZTMLSA-N 1 0 363.458 2.929 20 5 FFBDRO C[C@H](CNC(=O)COc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1ccccc1 ZINC000110355879 508022745 /nfs/dbraw/zinc/02/27/45/508022745.db2.gz XIDINPGXSRMMMQ-OAHLLOKOSA-N 1 0 357.410 2.610 20 5 FFBDRO CC(C)[N@H+](C)CC1CCN(C(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000074764039 508052997 /nfs/dbraw/zinc/05/29/97/508052997.db2.gz IYDLSAJNKUWMMQ-UHFFFAOYSA-N 1 0 362.474 2.899 20 5 FFBDRO C[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)[N@H+](C)Cc1ccccc1 ZINC000110966084 508061268 /nfs/dbraw/zinc/06/12/68/508061268.db2.gz OGUHNGQPNYKDSS-GFCCVEGCSA-N 1 0 360.389 2.566 20 5 FFBDRO C[C@@H](Nc1ccc(C(=O)N(C)CC[NH+](C)C)cc1[N+](=O)[O-])c1ccccn1 ZINC000080390206 508070041 /nfs/dbraw/zinc/07/00/41/508070041.db2.gz KRLITKCDEOFUSF-CQSZACIVSA-N 1 0 371.441 2.797 20 5 FFBDRO Cc1ccc(CN2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)cc1[N+](=O)[O-] ZINC000092665004 508091938 /nfs/dbraw/zinc/09/19/38/508091938.db2.gz UHXZMDPRMYOJGV-QZTJIDSGSA-N 1 0 360.502 2.894 20 5 FFBDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000081122693 508140300 /nfs/dbraw/zinc/14/03/00/508140300.db2.gz FTMSLEFOMZOKEP-GOSISDBHSA-N 1 0 353.422 2.870 20 5 FFBDRO CCc1nn(C)c(CC)c1C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000093534953 508148170 /nfs/dbraw/zinc/14/81/70/508148170.db2.gz TUAPCIQZFUUDQX-CYBMUJFWSA-N 1 0 358.446 2.535 20 5 FFBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000081334420 508164286 /nfs/dbraw/zinc/16/42/86/508164286.db2.gz WBUYQAOSMPIBGI-CYBMUJFWSA-N 1 0 353.850 2.981 20 5 FFBDRO CC(C)(C)C(=O)NC[C@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000112699747 508210417 /nfs/dbraw/zinc/21/04/17/508210417.db2.gz ZMTREGAVZRIVTI-OAHLLOKOSA-N 1 0 363.458 2.848 20 5 FFBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000112918935 508233574 /nfs/dbraw/zinc/23/35/74/508233574.db2.gz QNWOENFUXCXBAU-UHFFFAOYSA-N 1 0 360.458 2.609 20 5 FFBDRO CC[NH+](CC)CCCCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC000112919555 508233584 /nfs/dbraw/zinc/23/35/84/508233584.db2.gz LKJIQBUHYSUDEX-UHFFFAOYSA-N 1 0 352.391 2.663 20 5 FFBDRO CCN1CC[NH+](C[C@@H](C)CNc2ccc([N+](=O)[O-])c3cnccc23)CC1 ZINC000076921944 508262896 /nfs/dbraw/zinc/26/28/96/508262896.db2.gz WRJYOSMSJKEPSN-HNNXBMFYSA-N 1 0 357.458 2.829 20 5 FFBDRO C[C@H]1C[NH+](CCCCNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C[C@H](C)O1 ZINC000085456941 508309689 /nfs/dbraw/zinc/30/96/89/508309689.db2.gz AHAJRVYAZGPOCG-KBPBESRZSA-N 1 0 374.441 2.695 20 5 FFBDRO C[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@H]1CCc2ccccc2C1 ZINC000114489991 508321254 /nfs/dbraw/zinc/32/12/54/508321254.db2.gz QRCTXVQINQWKNM-SFHVURJKSA-N 1 0 365.433 2.973 20 5 FFBDRO COc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000114645319 508333528 /nfs/dbraw/zinc/33/35/28/508333528.db2.gz VHZUZFXXGXXVBO-QGZVFWFLSA-N 1 0 369.421 2.998 20 5 FFBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000087104108 508336974 /nfs/dbraw/zinc/33/69/74/508336974.db2.gz JWFJXADCQKQFEM-QGZVFWFLSA-N 1 0 360.458 2.927 20 5 FFBDRO CC[NH+](CC)CCOc1ccccc1CNc1c([N+](=O)[O-])c(C)nn1C ZINC000114708831 508339369 /nfs/dbraw/zinc/33/93/69/508339369.db2.gz DLHQSACGHLLJPE-UHFFFAOYSA-N 1 0 361.446 2.969 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000105168796 508363727 /nfs/dbraw/zinc/36/37/27/508363727.db2.gz LSRZFIVETLUFLV-CQSZACIVSA-N 1 0 364.446 2.523 20 5 FFBDRO C[NH+](C)[C@H](CNC(=O)CCNc1ccccc1[N+](=O)[O-])c1cccc(F)c1 ZINC000105599408 508377610 /nfs/dbraw/zinc/37/76/10/508377610.db2.gz WKGSREDHVWDAJW-GOSISDBHSA-N 1 0 374.416 2.955 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(NCCCC[NH+]2CCN(c3ncccn3)CC2)c1 ZINC000088719735 508381679 /nfs/dbraw/zinc/38/16/79/508381679.db2.gz SYDHUFZYRBIPBF-UHFFFAOYSA-N 1 0 370.457 2.708 20 5 FFBDRO COC(=O)C[C@@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000127201352 508414200 /nfs/dbraw/zinc/41/42/00/508414200.db2.gz GVVCIRFGJYGTQM-MRXNPFEDSA-N 1 0 360.366 2.619 20 5 FFBDRO Cc1nn(C)c(C(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000116063621 508468362 /nfs/dbraw/zinc/46/83/62/508468362.db2.gz KPNFAQZYJUGRTN-AWEZNQCLSA-N 1 0 371.441 2.592 20 5 FFBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000122039789 508471099 /nfs/dbraw/zinc/47/10/99/508471099.db2.gz JCFCNHHAKNKPLN-GFCCVEGCSA-N 1 0 370.247 2.962 20 5 FFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@](C)(O)c1cccs1 ZINC000156941350 508500888 /nfs/dbraw/zinc/50/08/88/508500888.db2.gz SVKUUGSFLKRJLM-SJCJKPOMSA-N 1 0 363.439 2.871 20 5 FFBDRO C[C@@H]([NH2+]C1(CNC(=O)c2c([N+](=O)[O-])cnn2C)CCCC1)c1ccccc1 ZINC000122377406 508525119 /nfs/dbraw/zinc/52/51/19/508525119.db2.gz ZVJYRZNSBUPXCX-CQSZACIVSA-N 1 0 371.441 2.722 20 5 FFBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116718074 508550685 /nfs/dbraw/zinc/55/06/85/508550685.db2.gz SQCOIQMAZGQZAK-CYBMUJFWSA-N 1 0 355.822 2.618 20 5 FFBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NC1CC[NH+](C2CC2)CC1 ZINC000116719897 508551521 /nfs/dbraw/zinc/55/15/21/508551521.db2.gz HFMWGAJXFCLYCZ-UHFFFAOYSA-N 1 0 367.833 2.760 20 5 FFBDRO Cc1cc([C@@H]2CN(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])CCO2)ccc1F ZINC000128700116 508630632 /nfs/dbraw/zinc/63/06/32/508630632.db2.gz CFARJVZHOWGHNN-SFHVURJKSA-N 1 0 373.384 2.715 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@H]1CCCc2c1cnn2C ZINC000135651960 508637475 /nfs/dbraw/zinc/63/74/75/508637475.db2.gz LVWCPBBCODDADC-KRWDZBQOSA-N 1 0 371.441 2.975 20 5 FFBDRO CCOc1ccc([C@H](C)[NH2+]CC2(N(C)C)CCOCC2)cc1[N+](=O)[O-] ZINC000153791731 508650222 /nfs/dbraw/zinc/65/02/22/508650222.db2.gz HAINLLYLQYPQJE-AWEZNQCLSA-N 1 0 351.447 2.755 20 5 FFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000118841700 508683114 /nfs/dbraw/zinc/68/31/14/508683114.db2.gz UIOHIAQFRDTFHP-CHWSQXEVSA-N 1 0 368.865 2.849 20 5 FFBDRO Cn1cc([C@@H](O)C[C@@H]2CCC[N@@H+]2CCCOc2ccc([N+](=O)[O-])cc2)cn1 ZINC000371454784 512412291 /nfs/dbraw/zinc/41/22/91/512412291.db2.gz BDYRCVCGEJAXLU-HKUYNNGSSA-N 1 0 374.441 2.685 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC(CCC[NH+](C)C)CC1 ZINC000123646314 508719988 /nfs/dbraw/zinc/71/99/88/508719988.db2.gz SMONLYHKLNABAZ-UHFFFAOYSA-N 1 0 362.474 2.896 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@]1(N2CCOCC2)CCSC1 ZINC000154439549 508785642 /nfs/dbraw/zinc/78/56/42/508785642.db2.gz PZSMHLHZXFRYQR-MAUKXSAKSA-N 1 0 365.499 2.762 20 5 FFBDRO Cc1c([C@H](C)[NH2+]C[C@@]2(N3CCOCC3)CCSC2)cccc1[N+](=O)[O-] ZINC000154440687 508785659 /nfs/dbraw/zinc/78/56/59/508785659.db2.gz CCNGUIXFRCHHFA-YJBOKZPZSA-N 1 0 365.499 2.762 20 5 FFBDRO C[NH+](C)CCC1CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000124138933 508787427 /nfs/dbraw/zinc/78/74/27/508787427.db2.gz KSOZOJNITFFOBX-UHFFFAOYSA-N 1 0 359.430 2.809 20 5 FFBDRO O=C(CCN1CC[NH+](C2CCCCC2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000141679491 508817770 /nfs/dbraw/zinc/81/77/70/508817770.db2.gz IGYZHFVFFUHHHM-UHFFFAOYSA-N 1 0 360.458 2.874 20 5 FFBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)CCCn1ccnc1 ZINC000124359915 508820724 /nfs/dbraw/zinc/82/07/24/508820724.db2.gz YWKIIQYESOWNAC-CYBMUJFWSA-N 1 0 356.386 2.924 20 5 FFBDRO CC(=O)Nc1c[nH]nc1[C@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000369460206 512420724 /nfs/dbraw/zinc/42/07/24/512420724.db2.gz BDFNDXAITGBZPO-AWEZNQCLSA-N 1 0 373.413 2.535 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000119833518 508873103 /nfs/dbraw/zinc/87/31/03/508873103.db2.gz HUBOQGXXFKTORG-KSSFIOAISA-N 1 0 369.421 2.854 20 5 FFBDRO C[NH+](C)[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1F)C1CCCCC1 ZINC000131044033 508880129 /nfs/dbraw/zinc/88/01/29/508880129.db2.gz XWPYATPKJLOOKY-KRWDZBQOSA-N 1 0 351.422 2.903 20 5 FFBDRO O=C(c1cc(F)c(F)cc1[N+](=O)[O-])N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000150756855 508887159 /nfs/dbraw/zinc/88/71/59/508887159.db2.gz JGSFKXRGQMNMEB-GFCCVEGCSA-N 1 0 353.369 2.964 20 5 FFBDRO CC(C)[NH+]1CCC(NC(=O)CSCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000131374616 508923655 /nfs/dbraw/zinc/92/36/55/508923655.db2.gz BOOAHMJDBXRUCJ-UHFFFAOYSA-N 1 0 351.472 2.817 20 5 FFBDRO COc1ccc([C@@H]2CC[N@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)cc1 ZINC000155264309 508961309 /nfs/dbraw/zinc/96/13/09/508961309.db2.gz QBFKPTDPSLBJGI-OAHLLOKOSA-N 1 0 355.394 2.692 20 5 FFBDRO C[NH+](C)CCN(C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)C1CCCC1 ZINC000160496420 508994794 /nfs/dbraw/zinc/99/47/94/508994794.db2.gz LSFMIACYNMCYEO-UHFFFAOYSA-N 1 0 371.441 2.727 20 5 FFBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000120554890 509019854 /nfs/dbraw/zinc/01/98/54/509019854.db2.gz ZHGBDTOATHXULD-JSGCOSHPSA-N 1 0 369.849 2.816 20 5 FFBDRO COc1ccc(CNC(=O)C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000160984636 509056429 /nfs/dbraw/zinc/05/64/29/509056429.db2.gz PFYSRKDEBHOBIE-CQSZACIVSA-N 1 0 357.410 2.879 20 5 FFBDRO CC[N@H+](CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])Cc1ccccn1 ZINC000161087731 509069322 /nfs/dbraw/zinc/06/93/22/509069322.db2.gz GLWKFRHTRLFHAT-UHFFFAOYSA-N 1 0 358.398 2.849 20 5 FFBDRO Cc1c(Cl)cc(S(=O)(=O)N(C)CC[C@@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000161239803 509090703 /nfs/dbraw/zinc/09/07/03/509090703.db2.gz ODEZXIISAUMMNZ-CYBMUJFWSA-N 1 0 363.867 2.551 20 5 FFBDRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000151920772 509111713 /nfs/dbraw/zinc/11/17/13/509111713.db2.gz LBUUUTJQIWMYKQ-STQMWFEESA-N 1 0 363.439 2.915 20 5 FFBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@H](Oc3ccccc3Cl)C2)n1 ZINC000133120700 509119571 /nfs/dbraw/zinc/11/95/71/509119571.db2.gz HDBCORSBCJZHQD-ZDUSSCGKSA-N 1 0 350.806 2.988 20 5 FFBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000126740832 509120863 /nfs/dbraw/zinc/12/08/63/509120863.db2.gz WKSZFBPPBYIQKQ-RDTXWAMCSA-N 1 0 372.469 2.750 20 5 FFBDRO C[C@@H](CC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[S@](C)=O ZINC000133319356 509146802 /nfs/dbraw/zinc/14/68/02/509146802.db2.gz UBNJSEZESRBJAC-BSNNYGBQSA-N 1 0 353.469 2.965 20 5 FFBDRO Cc1sc(S(=O)(=O)NCC[C@H](C)[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000127060350 509163827 /nfs/dbraw/zinc/16/38/27/509163827.db2.gz GEQQTSLFUQGBSI-NSHDSACASA-N 1 0 361.489 2.508 20 5 FFBDRO C[N@@H+]1CC[C@@H](NC(=O)COc2ccccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000247915500 509190656 /nfs/dbraw/zinc/19/06/56/509190656.db2.gz AXLFVZDXEIDHHF-DNVCBOLYSA-N 1 0 355.394 2.535 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)C[NH+]1CCCCCC1 ZINC000185499367 509208061 /nfs/dbraw/zinc/20/80/61/509208061.db2.gz OZCCBJFTSJXCTF-CYBMUJFWSA-N 1 0 350.419 2.989 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)NCc2ccc3c(c2)C[NH2+]C3)cc1SC ZINC000188712785 509226680 /nfs/dbraw/zinc/22/66/80/509226680.db2.gz ULHDEEMQDGSJPI-UHFFFAOYSA-N 1 0 373.434 2.859 20 5 FFBDRO COc1ccc(NC(=O)C[NH2+][C@H](C)[C@@H]2COc3ccccc32)c([N+](=O)[O-])c1 ZINC000185550156 509233175 /nfs/dbraw/zinc/23/31/75/509233175.db2.gz GNKOUZROTUGCLZ-DOMZBBRYSA-N 1 0 371.393 2.696 20 5 FFBDRO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)c3c([N+](=O)[O-])cnn3C)cc2)C1 ZINC000162487992 509235050 /nfs/dbraw/zinc/23/50/50/509235050.db2.gz PDBOFASBCAIZFZ-ZDUSSCGKSA-N 1 0 357.414 2.813 20 5 FFBDRO CCC[N@H+](C)C[C@@H]1CCN(c2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])C1 ZINC000172788098 509236064 /nfs/dbraw/zinc/23/60/64/509236064.db2.gz BSRGAWGDDGTNRZ-HNNXBMFYSA-N 1 0 362.474 2.901 20 5 FFBDRO C[C@@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1cccc(F)c1F ZINC000182455996 509248473 /nfs/dbraw/zinc/24/84/73/509248473.db2.gz OOLGKIZQQUDTCU-NEPJUHHUSA-N 1 0 352.337 2.964 20 5 FFBDRO COc1cccc(CN(CC[NH+](C)C)C(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000191949320 509259303 /nfs/dbraw/zinc/25/93/03/509259303.db2.gz UFCQIMGAFRGHMN-UHFFFAOYSA-N 1 0 363.439 2.869 20 5 FFBDRO C[C@@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@@H]1COc2ccccc21 ZINC000185645653 509283351 /nfs/dbraw/zinc/28/33/51/509283351.db2.gz OHTRSWFZYHAMER-DYVFJYSZSA-N 1 0 355.394 2.712 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1SC ZINC000264030991 509292316 /nfs/dbraw/zinc/29/23/16/509292316.db2.gz MQXHWVUCJOTMMK-LLVKDONJSA-N 1 0 365.455 2.539 20 5 FFBDRO COc1cccc(N2CCC(CCC[NH+]3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000185693248 509307389 /nfs/dbraw/zinc/30/73/89/509307389.db2.gz LEDASHQAFHLPBQ-UHFFFAOYSA-N 1 0 363.458 2.932 20 5 FFBDRO COCCC[NH+]1CCC(NC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000162830784 509309762 /nfs/dbraw/zinc/30/97/62/509309762.db2.gz ZZOWDNGYANWXEV-UHFFFAOYSA-N 1 0 350.419 2.526 20 5 FFBDRO CN(C(=O)CC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccccc1 ZINC000179193652 509313471 /nfs/dbraw/zinc/31/34/71/509313471.db2.gz SQIHUPUNRQYERW-UHFFFAOYSA-N 1 0 368.437 2.770 20 5 FFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCC(=O)OC(C)(C)C ZINC000163569781 509392984 /nfs/dbraw/zinc/39/29/84/509392984.db2.gz IJPWZFTYAQUSHK-LBPRGKRZSA-N 1 0 351.403 2.633 20 5 FFBDRO CCC[N@H+](C)C[C@H]1CCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000176280038 509418909 /nfs/dbraw/zinc/41/89/09/509418909.db2.gz UBHJHXDLEJKOET-JKSUJKDBSA-N 1 0 362.474 2.894 20 5 FFBDRO CCC[C@]1(COC)CCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000248745662 509466287 /nfs/dbraw/zinc/46/62/87/509466287.db2.gz RTWRVCGQHPOWQM-SJLPKXTDSA-N 1 0 352.431 2.616 20 5 FFBDRO CN(C(=O)C[NH2+][C@@H]1CCCc2c(O)cccc21)c1ccc([N+](=O)[O-])cc1 ZINC000192351336 509477819 /nfs/dbraw/zinc/47/78/19/509477819.db2.gz LOJMHOGDSJQSSC-QGZVFWFLSA-N 1 0 355.394 2.930 20 5 FFBDRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000173378203 509561941 /nfs/dbraw/zinc/56/19/41/509561941.db2.gz MRTZMXPHVGWLRX-QWHCGFSZSA-N 1 0 363.439 2.915 20 5 FFBDRO C[C@H]1C[NH+](CCCCNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000176684749 509640067 /nfs/dbraw/zinc/64/00/67/509640067.db2.gz FWHNOCFGKZLXJD-STQMWFEESA-N 1 0 369.849 2.867 20 5 FFBDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000237425440 509644212 /nfs/dbraw/zinc/64/42/12/509644212.db2.gz XXSCUXIABIOGGI-UWVGGRQHSA-N 1 0 356.220 2.557 20 5 FFBDRO COc1ccc(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000237449874 509650766 /nfs/dbraw/zinc/65/07/66/509650766.db2.gz ZIPUBNOEUQXOMA-UHFFFAOYSA-N 1 0 353.382 2.689 20 5 FFBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000173596859 509666659 /nfs/dbraw/zinc/66/66/59/509666659.db2.gz BINXGDGZWNIACC-HNNXBMFYSA-N 1 0 373.457 2.517 20 5 FFBDRO CC[C@@]1(CO)CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000189657234 509686677 /nfs/dbraw/zinc/68/66/77/509686677.db2.gz YLRWNSPIBADPKX-QGZVFWFLSA-N 1 0 353.394 2.547 20 5 FFBDRO COc1ccc(OCCN2CCC[C@H]2C[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000173636589 509689476 /nfs/dbraw/zinc/68/94/76/509689476.db2.gz LEHPCZJVMVWMBI-INIZCTEOSA-N 1 0 363.458 2.933 20 5 FFBDRO C[C@H]1CCCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@@H]1C[NH3+] ZINC000237662666 509704634 /nfs/dbraw/zinc/70/46/34/509704634.db2.gz WIHROAHJMQMPQX-XHDPSFHLSA-N 1 0 360.439 2.918 20 5 FFBDRO CC[C@H](CO)[NH+]1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000179997317 509704845 /nfs/dbraw/zinc/70/48/45/509704845.db2.gz NJLNGWWLLBBQDC-MRXNPFEDSA-N 1 0 359.426 2.743 20 5 FFBDRO COCc1cc([N+](=O)[O-])ccc1N1CCC(OCCC[NH+](C)C)CC1 ZINC000176815893 509706532 /nfs/dbraw/zinc/70/65/32/509706532.db2.gz AIHONLPDCGOGNE-UHFFFAOYSA-N 1 0 351.447 2.678 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1CN1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000183308949 509708751 /nfs/dbraw/zinc/70/87/51/509708751.db2.gz LVLOGTMOOASPDW-ROUUACIJSA-N 1 0 360.502 2.894 20 5 FFBDRO O=[N+]([O-])c1cnc2ccc(NC[C@@H]3CC[N@H+](Cc4ccccc4)C3)nn21 ZINC000192958035 509714892 /nfs/dbraw/zinc/71/48/92/509714892.db2.gz XZJGJGLNSAZHLZ-HNNXBMFYSA-N 1 0 352.398 2.572 20 5 FFBDRO CCOc1ccnc(N2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3C)CC2)n1 ZINC000183392389 509758375 /nfs/dbraw/zinc/75/83/75/509758375.db2.gz RSWFLTJZUOFCBE-UHFFFAOYSA-N 1 0 371.441 2.804 20 5 FFBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000268153867 509784313 /nfs/dbraw/zinc/78/43/13/509784313.db2.gz PCPLKOREEXVSMJ-GFCCVEGCSA-N 1 0 354.838 2.731 20 5 FFBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000173849276 509813727 /nfs/dbraw/zinc/81/37/27/509813727.db2.gz VAKIREUOVBJOSQ-CABCVRRESA-N 1 0 367.471 2.539 20 5 FFBDRO CC(C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CC1 ZINC000265014735 509824409 /nfs/dbraw/zinc/82/44/09/509824409.db2.gz XILWTZJVXKVUBT-UHFFFAOYSA-N 1 0 360.458 2.798 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])s1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000180313666 509864591 /nfs/dbraw/zinc/86/45/91/509864591.db2.gz XUMRPUMVMPNBOP-UHFFFAOYSA-N 1 0 367.471 2.621 20 5 FFBDRO O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)Nc1ccncc1[N+](=O)[O-] ZINC000183568049 509864845 /nfs/dbraw/zinc/86/48/45/509864845.db2.gz IFQYUPKPIDASPE-OAHLLOKOSA-N 1 0 355.398 2.776 20 5 FFBDRO COc1ccc([C@H]([NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C2CC2)cc1 ZINC000193354029 509878158 /nfs/dbraw/zinc/87/81/58/509878158.db2.gz MJJPXYXFADYODF-GOSISDBHSA-N 1 0 355.394 2.943 20 5 FFBDRO O=C(NCCC[N@@H+]1CCc2ccccc2C1)Nc1ccncc1[N+](=O)[O-] ZINC000183626855 509892371 /nfs/dbraw/zinc/89/23/71/509892371.db2.gz YGLYSODPAITNSY-UHFFFAOYSA-N 1 0 355.398 2.560 20 5 FFBDRO CC(C)c1ccc(C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000190030103 509894969 /nfs/dbraw/zinc/89/49/69/509894969.db2.gz ZWIDJZHMZKOBAG-OAHLLOKOSA-N 1 0 361.442 2.513 20 5 FFBDRO COC(=O)c1sccc1NC(=O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180427598 509922219 /nfs/dbraw/zinc/92/22/19/509922219.db2.gz KMAAMRHEVSPHRD-SNVBAGLBSA-N 1 0 363.395 2.732 20 5 FFBDRO COC(=O)c1ccc(C)c(NC(=O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000180447515 509929298 /nfs/dbraw/zinc/92/92/98/509929298.db2.gz SNGTTZXGFPHFSS-CYBMUJFWSA-N 1 0 371.393 2.979 20 5 FFBDRO CC[NH+]1CCC(CCNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000174112171 509952530 /nfs/dbraw/zinc/95/25/30/509952530.db2.gz NYWDWNSQHXXKPT-UHFFFAOYSA-N 1 0 371.441 2.632 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000193585133 509978586 /nfs/dbraw/zinc/97/85/86/509978586.db2.gz YHIYOSQAJDWGFP-AWEZNQCLSA-N 1 0 357.414 2.835 20 5 FFBDRO COC(=O)c1cnc(NCCCC[N@@H+]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000190168028 509982529 /nfs/dbraw/zinc/98/25/29/509982529.db2.gz IILBMKXRPAHCHZ-ZDUSSCGKSA-N 1 0 350.419 2.843 20 5 FFBDRO COc1ccc(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000265321290 509990064 /nfs/dbraw/zinc/99/00/64/509990064.db2.gz QQVCYHHPPVUIMT-UHFFFAOYSA-N 1 0 361.373 2.734 20 5 FFBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2Br)C1 ZINC000180578622 509995533 /nfs/dbraw/zinc/99/55/33/509995533.db2.gz LIBXRLXZMIIESO-LLVKDONJSA-N 1 0 370.247 2.771 20 5 FFBDRO C[C@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCN1CCO ZINC000190241807 510022455 /nfs/dbraw/zinc/02/24/55/510022455.db2.gz CHDXDGLCHLQYGI-AWEZNQCLSA-N 1 0 361.467 2.822 20 5 FFBDRO COc1cc(CN2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000261709267 510036058 /nfs/dbraw/zinc/03/60/58/510036058.db2.gz MIRZIHVUSVKZTK-SJORKVTESA-N 1 0 371.437 2.786 20 5 FFBDRO COC(=O)[C@H](C)[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000177413720 510045188 /nfs/dbraw/zinc/04/51/88/510045188.db2.gz KGNBAQLHDMYGFY-ACJLOTCBSA-N 1 0 371.393 2.673 20 5 FFBDRO CCOc1ccc(C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000261778676 510060576 /nfs/dbraw/zinc/06/05/76/510060576.db2.gz PJPMQULJNCKOAO-JKSUJKDBSA-N 1 0 355.394 2.560 20 5 FFBDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000261902242 510108261 /nfs/dbraw/zinc/10/82/61/510108261.db2.gz WVVAGJCSKMYCDJ-QXSJWSMHSA-N 1 0 374.485 2.886 20 5 FFBDRO [NH3+]C1(c2noc(-c3cc(OCC(F)(F)F)ccc3[N+](=O)[O-])n2)CCC1 ZINC000261921756 510116378 /nfs/dbraw/zinc/11/63/78/510116378.db2.gz KODWCVCCTSYNMK-UHFFFAOYSA-N 1 0 358.276 2.924 20 5 FFBDRO C[C@H]1C[C@H](C)C[NH+](CCCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000193894591 510117233 /nfs/dbraw/zinc/11/72/33/510117233.db2.gz FQIPKMRJFYBGQX-GJZGRUSLSA-N 1 0 369.487 2.631 20 5 FFBDRO C[C@@H](Cn1cc(Br)cn1)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000268907102 510131035 /nfs/dbraw/zinc/13/10/35/510131035.db2.gz FEAPMMLUEBPLFF-NSHDSACASA-N 1 0 353.220 2.775 20 5 FFBDRO CC[N@H+](C)Cc1cccc(CNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)c1 ZINC000180887085 510166103 /nfs/dbraw/zinc/16/61/03/510166103.db2.gz FPKFLMGGWRARMY-UHFFFAOYSA-N 1 0 371.393 2.705 20 5 FFBDRO [NH3+]CCN(Cc1ccccc1)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000184182479 510178065 /nfs/dbraw/zinc/17/80/65/510178065.db2.gz VLJNOKWFKUZEOS-UHFFFAOYSA-N 1 0 354.410 2.770 20 5 FFBDRO O=C(CN1CC[NH2+]C[C@@H]1c1ccccc1Cl)Nc1ccccc1[N+](=O)[O-] ZINC000262309308 510239899 /nfs/dbraw/zinc/23/98/99/510239899.db2.gz YRQSXVZQLCHVLU-QGZVFWFLSA-N 1 0 374.828 2.833 20 5 FFBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)cc1 ZINC000171618997 510254972 /nfs/dbraw/zinc/25/49/72/510254972.db2.gz ZOJKIJLUEKZGNC-HNNXBMFYSA-N 1 0 371.441 2.781 20 5 FFBDRO COc1ccc([C@H]2CCCCC[N@@H+]2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000174709255 510264231 /nfs/dbraw/zinc/26/42/31/510264231.db2.gz VNMKFJPFVAOCNP-PKOBYXMFSA-N 1 0 374.441 2.778 20 5 FFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000177809750 510265474 /nfs/dbraw/zinc/26/54/74/510265474.db2.gz HGVOSJTWWWPJSH-KGLIPLIRSA-N 1 0 362.386 2.510 20 5 FFBDRO O=C(NC1CC[NH+](CC2CC2)CC1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000194222241 510267561 /nfs/dbraw/zinc/26/75/61/510267561.db2.gz DWMHBYPFDDNFTE-UHFFFAOYSA-N 1 0 358.442 2.773 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)CCCOC(C)C ZINC000265884852 510281808 /nfs/dbraw/zinc/28/18/08/510281808.db2.gz PJTWLJLZUUEBHJ-UHFFFAOYSA-N 1 0 353.419 2.679 20 5 FFBDRO C[N@@H+](Cc1cc(Cl)cc(Cl)c1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174738141 510283061 /nfs/dbraw/zinc/28/30/61/510283061.db2.gz KOUBFQZGGRINIC-AWEZNQCLSA-N 1 0 359.213 2.591 20 5 FFBDRO CC1CCN(c2ccc(C(=O)NCC[C@@H]3CC[NH2+]C3)cc2[N+](=O)[O-])CC1 ZINC000262579267 510322667 /nfs/dbraw/zinc/32/26/67/510322667.db2.gz MUQIWBTWTYQAQO-HNNXBMFYSA-N 1 0 360.458 2.561 20 5 FFBDRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000269288770 510325614 /nfs/dbraw/zinc/32/56/14/510325614.db2.gz UBXZWOHCHHLKLF-ZWKOTPCHSA-N 1 0 358.442 2.896 20 5 FFBDRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 ZINC000265973534 510333614 /nfs/dbraw/zinc/33/36/14/510333614.db2.gz WHWXCRWRAPAXJW-ZDUSSCGKSA-N 1 0 367.446 2.852 20 5 FFBDRO C[NH+]1CCC(CCNC(=O)c2cccc([N+](=O)[O-])c2Br)CC1 ZINC000187573213 510336438 /nfs/dbraw/zinc/33/64/38/510336438.db2.gz XAMMFIBLCBFFLY-UHFFFAOYSA-N 1 0 370.247 2.819 20 5 FFBDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000184462412 510336692 /nfs/dbraw/zinc/33/66/92/510336692.db2.gz PIRJCYSGQFUUQN-INIZCTEOSA-N 1 0 368.437 2.771 20 5 FFBDRO C[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1cccc(N2CCOC2=O)c1 ZINC000181314210 510351895 /nfs/dbraw/zinc/35/18/95/510351895.db2.gz OWVGSMNLARDUMC-ACJLOTCBSA-N 1 0 371.393 2.936 20 5 FFBDRO COc1cc(C[NH2+][C@@H]2CCOC3(CCSCC3)C2)c([N+](=O)[O-])cc1O ZINC000269357639 510359766 /nfs/dbraw/zinc/35/97/66/510359766.db2.gz UQQJQXLGMVBVIP-CYBMUJFWSA-N 1 0 368.455 2.843 20 5 FFBDRO CCc1n[nH]c(C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)c1[N+](=O)[O-] ZINC000171809405 510383432 /nfs/dbraw/zinc/38/34/32/510383432.db2.gz UXGAIFPXPDZMGQ-CQSZACIVSA-N 1 0 363.462 2.609 20 5 FFBDRO O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000181416666 510399010 /nfs/dbraw/zinc/39/90/10/510399010.db2.gz PAQKBLNUFKGVGZ-LBPRGKRZSA-N 1 0 355.341 2.507 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)cn1 ZINC000269423466 510399073 /nfs/dbraw/zinc/39/90/73/510399073.db2.gz LOFPLHMUWPOHOX-MRXNPFEDSA-N 1 0 369.425 2.691 20 5 FFBDRO COC(=O)COc1ccc(C[N@H+](C)CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000187744830 510414044 /nfs/dbraw/zinc/41/40/44/510414044.db2.gz QVVOZMHHMVGETE-UHFFFAOYSA-N 1 0 358.394 2.821 20 5 FFBDRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000184640463 510435671 /nfs/dbraw/zinc/43/56/71/510435671.db2.gz RWPPKKCYGYRHCA-ZDUSSCGKSA-N 1 0 369.425 2.527 20 5 FFBDRO CC[NH+](CC)Cc1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2N)cc1 ZINC000178150707 510460249 /nfs/dbraw/zinc/46/02/49/510460249.db2.gz FRHCPXSWUBKKRQ-UHFFFAOYSA-N 1 0 356.426 2.949 20 5 FFBDRO CC(C)[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)CCOc1ccccc1[N+](=O)[O-])C2 ZINC000175059682 510464588 /nfs/dbraw/zinc/46/45/88/510464588.db2.gz VNWHXYNCTYDCOC-JKSUJKDBSA-N 1 0 361.442 2.837 20 5 FFBDRO C[NH+](C)CCN(CCCc1ccccc1)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000178180195 510474221 /nfs/dbraw/zinc/47/42/21/510474221.db2.gz UIJUPOORLBGWLD-UHFFFAOYSA-N 1 0 370.453 2.814 20 5 FFBDRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000266298925 510504634 /nfs/dbraw/zinc/50/46/34/510504634.db2.gz KNZKPXSRJATNRI-CMPLNLGQSA-N 1 0 357.332 2.922 20 5 FFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)C[C@@H]1CCC[C@H]1O ZINC000246535355 510541585 /nfs/dbraw/zinc/54/15/85/510541585.db2.gz LBXJJXJFPFEYRV-JRPNMDOOSA-N 1 0 355.822 2.668 20 5 FFBDRO C[C@@H]1CC[C@](CO)([N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000188009247 510547266 /nfs/dbraw/zinc/54/72/66/510547266.db2.gz QUNZQBPLYFRETG-BZNIZROVSA-N 1 0 355.822 2.670 20 5 FFBDRO O=C([C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000246660061 510607146 /nfs/dbraw/zinc/60/71/46/510607146.db2.gz LPQIRGBJAVLFQC-ZMYBRWDISA-N 1 0 373.453 2.885 20 5 FFBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)NC(=O)NCc2ccccc2)cc1[N+](=O)[O-] ZINC000181819923 510611769 /nfs/dbraw/zinc/61/17/69/510611769.db2.gz YRXUVCZOJFSNTM-CQSZACIVSA-N 1 0 370.409 2.580 20 5 FFBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2ccc(C)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000246742454 510647607 /nfs/dbraw/zinc/64/76/07/510647607.db2.gz IPNVHXXLZHDRDH-RDJZCZTQSA-N 1 0 363.458 2.770 20 5 FFBDRO C[NH+]1CCC([C@@H]2CCN(c3ncc(Br)cc3[N+](=O)[O-])C2)CC1 ZINC000270041617 510649025 /nfs/dbraw/zinc/64/90/25/510649025.db2.gz AAMNHJYFTIUNQE-GFCCVEGCSA-N 1 0 369.263 2.920 20 5 FFBDRO COc1cc(C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)cc([N+](=O)[O-])c1C ZINC000188221026 510656333 /nfs/dbraw/zinc/65/63/33/510656333.db2.gz DDKBMQDJWCFICH-HNNXBMFYSA-N 1 0 361.442 2.860 20 5 FFBDRO CCN(CCC[NH+]1CCCC1)S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000188266439 510677621 /nfs/dbraw/zinc/67/76/21/510677621.db2.gz RDJDLARWPNIEGW-UHFFFAOYSA-N 1 0 369.487 2.708 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000266653324 510711547 /nfs/dbraw/zinc/71/15/47/510711547.db2.gz OLJGKWSIQSLHSV-UHFFFAOYSA-N 1 0 361.442 2.620 20 5 FFBDRO O=C(CC[N@H+](C[C@H]1CCOC1)C1CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000185182037 510733137 /nfs/dbraw/zinc/73/31/37/510733137.db2.gz KUXOXIMEEYPWEQ-GFCCVEGCSA-N 1 0 351.378 2.563 20 5 FFBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000246944474 510761162 /nfs/dbraw/zinc/76/11/62/510761162.db2.gz CBMLPFOHMIGJCE-JKIFEVAISA-N 1 0 357.414 2.701 20 5 FFBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246985654 510782730 /nfs/dbraw/zinc/78/27/30/510782730.db2.gz WCDXYMFMJJEDRK-VKJFTORMSA-N 1 0 372.469 2.871 20 5 FFBDRO CCC[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C[C@@H]1CCCCO1 ZINC000182156973 510785596 /nfs/dbraw/zinc/78/55/96/510785596.db2.gz HKDMMOJWTYNQEY-HOTGVXAUSA-N 1 0 352.431 2.616 20 5 FFBDRO CC(C)(C)OC(=O)[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000178832899 510795161 /nfs/dbraw/zinc/79/51/61/510795161.db2.gz BSMDQMCSAXJCDL-CYBMUJFWSA-N 1 0 363.414 2.587 20 5 FFBDRO CC[C@@](C)([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1nccs1 ZINC000182184076 510799953 /nfs/dbraw/zinc/79/99/53/510799953.db2.gz KVVFLQQPWLCMTH-MLGOLLRUSA-N 1 0 351.428 2.706 20 5 FFBDRO COc1cc(C(=O)NCc2cccc(C[NH+](C)C)c2)cc([N+](=O)[O-])c1C ZINC000191717941 510800419 /nfs/dbraw/zinc/80/04/19/510800419.db2.gz KOAPQGKBWJIXAD-UHFFFAOYSA-N 1 0 357.410 2.903 20 5 FFBDRO Cc1nc(C(C)(C)[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])sc1C ZINC000182193816 510806613 /nfs/dbraw/zinc/80/66/13/510806613.db2.gz RYJFTQWUDSRUPB-CYBMUJFWSA-N 1 0 365.455 2.933 20 5 FFBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC2CC[NH+](Cc3ccccc3C)CC2)n1 ZINC000191775560 510825442 /nfs/dbraw/zinc/82/54/42/510825442.db2.gz AHNDSXJIBMLHKK-UHFFFAOYSA-N 1 0 371.441 2.514 20 5 FFBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000247556955 510865559 /nfs/dbraw/zinc/86/55/59/510865559.db2.gz ZHGBDTOATHXULD-GXTWGEPZSA-N 1 0 369.849 2.816 20 5 FFBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@H](CCO)c2ccc(Cl)c(Cl)c2)n1 ZINC000285390184 510888835 /nfs/dbraw/zinc/88/88/35/510888835.db2.gz BWMRGVUWYIRXOV-CYBMUJFWSA-N 1 0 359.213 2.811 20 5 FFBDRO C[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@]2(CCOC2)O1 ZINC000293946769 510907592 /nfs/dbraw/zinc/90/75/92/510907592.db2.gz BLYBYQYTJIISQL-NHYWBVRUSA-N 1 0 360.332 2.993 20 5 FFBDRO C[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@@]2(CCOC2)O1 ZINC000293946764 510907673 /nfs/dbraw/zinc/90/76/73/510907673.db2.gz BLYBYQYTJIISQL-IAQYHMDHSA-N 1 0 360.332 2.993 20 5 FFBDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285469979 510919088 /nfs/dbraw/zinc/91/90/88/510919088.db2.gz ZILLRMUMKWWCES-LBPRGKRZSA-N 1 0 355.385 2.558 20 5 FFBDRO CN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285521539 510940733 /nfs/dbraw/zinc/94/07/33/510940733.db2.gz OJILJVHHAMEYHK-XYPWUTKMSA-N 1 0 357.414 2.702 20 5 FFBDRO CC(C)[N@H+](CCOCCO)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000294066350 510945526 /nfs/dbraw/zinc/94/55/26/510945526.db2.gz KIHDKMYLEHHRPE-UHFFFAOYSA-N 1 0 350.337 2.833 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CC[C@H](C4CCOCC4)C3)n2)cc1 ZINC000361955600 511108543 /nfs/dbraw/zinc/10/85/43/511108543.db2.gz SQXHPHCMRYQBPX-HNNXBMFYSA-N 1 0 358.398 2.893 20 5 FFBDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000294604458 511118889 /nfs/dbraw/zinc/11/88/89/511118889.db2.gz VIIYIAKPYHDXJH-OCCSQVGLSA-N 1 0 357.332 2.970 20 5 FFBDRO Cc1nc(N2CCC3(C[C@H]3N(C)Cc3nccs3)CC2)ncc1[N+](=O)[O-] ZINC000294903392 511214287 /nfs/dbraw/zinc/21/42/87/511214287.db2.gz HGQZZRRESJEUEB-CQSZACIVSA-N 1 0 374.470 2.641 20 5 FFBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000362792368 511239235 /nfs/dbraw/zinc/23/92/35/511239235.db2.gz QNBOJHFHBDTJGW-NVXWUHKLSA-N 1 0 358.442 2.896 20 5 FFBDRO CC(=O)N1CCC[C@H](C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000279911578 511263642 /nfs/dbraw/zinc/26/36/42/511263642.db2.gz WUPBYWJTMNEVGV-GFCCVEGCSA-N 1 0 357.357 2.544 20 5 FFBDRO CCOc1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC(=O)N3C3CC3)C2)ccc1[N+](=O)[O-] ZINC000365188054 511306402 /nfs/dbraw/zinc/30/64/02/511306402.db2.gz AOCIXCQLRWCVAW-DOTOQJQBSA-N 1 0 373.453 2.969 20 5 FFBDRO Cc1c(NC(=O)CC[NH2+][C@@H](CCO)c2ccccc2)cccc1[N+](=O)[O-] ZINC000271795071 511326800 /nfs/dbraw/zinc/32/68/00/511326800.db2.gz RGHXKSRFQMMKHQ-KRWDZBQOSA-N 1 0 357.410 2.945 20 5 FFBDRO COc1cccc(COC[C@H](O)C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000271813121 511334110 /nfs/dbraw/zinc/33/41/10/511334110.db2.gz YQSNUYSNSPDLCR-GDBMZVCRSA-N 1 0 360.410 2.832 20 5 FFBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cc(-c4ccc([N+](=O)[O-])cc4)n[nH]3)CC[C@H]21 ZINC000295429931 511402824 /nfs/dbraw/zinc/40/28/24/511402824.db2.gz MKPKVBNNMBXCLC-RDTXWAMCSA-N 1 0 369.425 2.541 20 5 FFBDRO C[C@@H](CO)[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)CC1CCC1 ZINC000280293279 511410127 /nfs/dbraw/zinc/41/01/27/511410127.db2.gz FGSMWDBQUIJGLK-NSHDSACASA-N 1 0 355.822 2.670 20 5 FFBDRO CCOc1cc(N2CCN(CC[C@H]3CCC[N@@H+]3C)CC2)ccc1[N+](=O)[O-] ZINC000280322633 511420449 /nfs/dbraw/zinc/42/04/49/511420449.db2.gz YNQBIXCJRJIOPR-MRXNPFEDSA-N 1 0 362.474 2.600 20 5 FFBDRO C[NH+]1CCC([C@@H]2CCN(C(=O)C(F)(F)c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000272193331 511460356 /nfs/dbraw/zinc/46/03/56/511460356.db2.gz WCXURSAFRUWFFJ-CQSZACIVSA-N 1 0 367.396 2.877 20 5 FFBDRO Cc1ccc(NC(=O)CCC(C)(C)[N+](=O)[O-])cc1NC(=O)CC[NH+](C)C ZINC000295624181 511463687 /nfs/dbraw/zinc/46/36/87/511463687.db2.gz AHTRNAQGGHRZEX-UHFFFAOYSA-N 1 0 364.446 2.659 20 5 FFBDRO C[C@@H](NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])C1=CC[N@H+](C)CC1 ZINC000295697532 511487284 /nfs/dbraw/zinc/48/72/84/511487284.db2.gz IXJHZUKYRZDBJP-SNVBAGLBSA-N 1 0 357.332 2.994 20 5 FFBDRO Cn1ccnc1[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000365633065 511571155 /nfs/dbraw/zinc/57/11/55/511571155.db2.gz URKOPWBWVHRRDF-CYBMUJFWSA-N 1 0 358.398 2.574 20 5 FFBDRO CS[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000284206027 511641125 /nfs/dbraw/zinc/64/11/25/511641125.db2.gz SRNMCESMTRYXOK-HOTGVXAUSA-N 1 0 366.443 2.515 20 5 FFBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000284219426 511646012 /nfs/dbraw/zinc/64/60/12/511646012.db2.gz AVVRSWMDASZILN-UHFFFAOYSA-N 1 0 364.421 2.843 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000365819333 511667585 /nfs/dbraw/zinc/66/75/85/511667585.db2.gz IYRNHUQHDGZBQZ-AWEZNQCLSA-N 1 0 362.430 2.620 20 5 FFBDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)c1ccccc1 ZINC000303355792 511734084 /nfs/dbraw/zinc/73/40/84/511734084.db2.gz IEWUXYZAEZRKCI-GFCCVEGCSA-N 1 0 358.398 2.555 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])o1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000365999258 511776932 /nfs/dbraw/zinc/77/69/32/511776932.db2.gz YKJZLMUWTGVRJD-CVEARBPZSA-N 1 0 355.394 2.782 20 5 FFBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)NCCCCc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000293094079 511837882 /nfs/dbraw/zinc/83/78/82/511837882.db2.gz TUNDGJSFLXEOEG-IBGZPJMESA-N 1 0 360.458 2.655 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[N@@H+](C(C)C)C2)cc1SC ZINC000274525139 511863516 /nfs/dbraw/zinc/86/35/16/511863516.db2.gz SSYLZSYKZVWBPL-LBPRGKRZSA-N 1 0 367.471 2.928 20 5 FFBDRO [NH3+][C@@H]1CN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000327697848 511880548 /nfs/dbraw/zinc/88/05/48/511880548.db2.gz VVKCPADGRJHFHA-NWDGAFQWSA-N 1 0 352.316 2.940 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCO[C@@H](C(C)C)C1 ZINC000293288106 511910005 /nfs/dbraw/zinc/91/00/05/511910005.db2.gz VVIYPLSKZUQEOW-QGZVFWFLSA-N 1 0 365.430 2.679 20 5 FFBDRO Cc1cc(N2CCC[C@H]([NH2+][C@@H](C)c3ccc(N)c([N+](=O)[O-])c3)C2)n(C)n1 ZINC000284926113 511931086 /nfs/dbraw/zinc/93/10/86/511931086.db2.gz DHNYFQAZJXGZNU-ZFWWWQNUSA-N 1 0 358.446 2.539 20 5 FFBDRO C[C@]1([NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCO[C@@H]1C1CC1 ZINC000364235812 512036000 /nfs/dbraw/zinc/03/60/00/512036000.db2.gz RURYPZAXKDKMCP-SJORKVTESA-N 1 0 351.378 2.610 20 5 FFBDRO O=C(N[C@@H]1CC12CC[NH2+]CC2)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000366473694 512041877 /nfs/dbraw/zinc/04/18/77/512041877.db2.gz NJYLHZXQDFRIIW-CQSZACIVSA-N 1 0 358.423 2.590 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000371536361 512453032 /nfs/dbraw/zinc/45/30/32/512453032.db2.gz UOPYNQWSMQNPFE-MRXNPFEDSA-N 1 0 354.410 2.747 20 5 FFBDRO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000373735142 512478315 /nfs/dbraw/zinc/47/83/15/512478315.db2.gz XVMHHLAGSQMQEN-OAHLLOKOSA-N 1 0 368.437 2.914 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000373777713 512500263 /nfs/dbraw/zinc/50/02/63/512500263.db2.gz ODGZGHRZCMLRSX-CQSZACIVSA-N 1 0 357.414 2.521 20 5 FFBDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000369692953 512557588 /nfs/dbraw/zinc/55/75/88/512557588.db2.gz LJLDIBOEZJQMAJ-LBPRGKRZSA-N 1 0 367.833 2.574 20 5 FFBDRO CCOC(=O)C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000411307769 512574029 /nfs/dbraw/zinc/57/40/29/512574029.db2.gz IADVOMKPGXZBPZ-UHFFFAOYSA-N 1 0 363.414 2.731 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(CC(=O)Nc2cccc(C[NH+](C)C)c2)c1F ZINC000411385237 512609945 /nfs/dbraw/zinc/60/99/45/512609945.db2.gz JHJIEELTUFCTKB-UHFFFAOYSA-N 1 0 361.373 2.985 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCSC[C@@H]1C1CC1 ZINC000411782862 512809302 /nfs/dbraw/zinc/80/93/02/512809302.db2.gz FHBALWBYHGXTDX-OAHLLOKOSA-N 1 0 365.455 2.759 20 5 FFBDRO COc1ccc(C2CC[NH+](CCn3cc([N+](=O)[O-])ccc3=O)CC2)cc1 ZINC000372346989 512827437 /nfs/dbraw/zinc/82/74/37/512827437.db2.gz QGJCEIIATWTJBK-UHFFFAOYSA-N 1 0 357.410 2.645 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000374429928 512829956 /nfs/dbraw/zinc/82/99/56/512829956.db2.gz QOUBTSVFGHACGJ-HHXXYDBFSA-N 1 0 363.458 2.677 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCSC3(CCC3)CC2)c1 ZINC000411855034 512846084 /nfs/dbraw/zinc/84/60/84/512846084.db2.gz JUCJKCAMAYSEQG-HNNXBMFYSA-N 1 0 352.456 2.696 20 5 FFBDRO COc1ccc(OCC[NH2+][C@@H]2Cc3ccccc3[C@@H]2OC)c([N+](=O)[O-])c1 ZINC000411891790 512863001 /nfs/dbraw/zinc/86/30/01/512863001.db2.gz KJBGJWBOIPVMCN-APWZRJJASA-N 1 0 358.394 2.884 20 5 FFBDRO O=C(NC1CC([NH+]2CCCCC2)C1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000376589404 512887572 /nfs/dbraw/zinc/88/75/72/512887572.db2.gz HTNFGAAJUYCEGI-UHFFFAOYSA-N 1 0 353.369 2.820 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C)[C@](C)(OC)C1CC1 ZINC000411967648 512893854 /nfs/dbraw/zinc/89/38/54/512893854.db2.gz ILHFYULWIAYNGF-SGTLLEGYSA-N 1 0 365.430 2.725 20 5 FFBDRO CCOc1ccc(NC(=O)C[NH2+][C@H](C)[C@@](C)(OC)C2CC2)c([N+](=O)[O-])c1 ZINC000411973078 512896995 /nfs/dbraw/zinc/89/69/95/512896995.db2.gz RBDDDPYTEZGPGE-KZULUSFZSA-N 1 0 365.430 2.725 20 5 FFBDRO NC(=O)[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1c1ccccc1 ZINC000411973736 512898017 /nfs/dbraw/zinc/89/80/17/512898017.db2.gz SFMJTHADNZQJSU-JKSUJKDBSA-N 1 0 359.813 2.949 20 5 FFBDRO CCOc1cc(C[N@@H+]2CC[C@@](C(N)=O)(c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000411975217 512898958 /nfs/dbraw/zinc/89/89/58/512898958.db2.gz ZVWYFRBRQJORBP-FQEVSTJZSA-N 1 0 369.421 2.623 20 5 FFBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3N3CCCCC3)C[C@H]21 ZINC000374602234 512911755 /nfs/dbraw/zinc/91/17/55/512911755.db2.gz HLSSJRHCQXKQFO-BMGDILEWSA-N 1 0 372.469 2.785 20 5 FFBDRO COc1ccc(C[N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)cc1Cl ZINC000412041618 512925976 /nfs/dbraw/zinc/92/59/76/512925976.db2.gz NFVRBSINBOVMRE-UHFFFAOYSA-N 1 0 351.790 2.551 20 5 FFBDRO CC(C)Oc1cc(C(=O)NC[C@]2([NH+](C)C)CCSC2)ccc1[N+](=O)[O-] ZINC000412157516 512981008 /nfs/dbraw/zinc/98/10/08/512981008.db2.gz FRFCOJDHFMLJBA-QGZVFWFLSA-N 1 0 367.471 2.549 20 5 FFBDRO O=C(c1cc(Cl)c[nH]1)N1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000370579736 513002514 /nfs/dbraw/zinc/00/25/14/513002514.db2.gz NDKOLZSDIQDYJR-UHFFFAOYSA-N 1 0 362.817 2.971 20 5 FFBDRO CC(=O)Nc1c[nH]nc1[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000374821478 513021633 /nfs/dbraw/zinc/02/16/33/513021633.db2.gz CFRKMSDOLNUJGA-HNNXBMFYSA-N 1 0 357.414 2.964 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000374822038 513021780 /nfs/dbraw/zinc/02/17/80/513021780.db2.gz GSKBOZVBIGLKBJ-UHFFFAOYSA-N 1 0 361.442 2.942 20 5 FFBDRO C[C@H]1CCCN(c2ccc(C(=O)N3C[C@@H]4CC[N@H+](C)[C@@H]4C3)cc2[N+](=O)[O-])C1 ZINC000408461377 513070421 /nfs/dbraw/zinc/07/04/21/513070421.db2.gz AEHREJFHPHIYNI-URLQWDBASA-N 1 0 372.469 2.607 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H](c2ccccc2)[C@H]2CCOC2)c1 ZINC000374983164 513096835 /nfs/dbraw/zinc/09/68/35/513096835.db2.gz CEVVSUGWECPMJR-ILZDJORESA-N 1 0 372.421 2.702 20 5 FFBDRO Cc1cc(N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000424410356 513132635 /nfs/dbraw/zinc/13/26/35/513132635.db2.gz IKYWDDJRSCGAFC-WCQYABFASA-N 1 0 369.347 2.587 20 5 FFBDRO CC(C)c1n[nH]c(C(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000433826961 513161244 /nfs/dbraw/zinc/16/12/44/513161244.db2.gz UPBATGFHYLQKBN-CQSZACIVSA-N 1 0 365.478 2.928 20 5 FFBDRO CC[NH2+]Cc1cccc(NC(=O)C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000415261348 513178803 /nfs/dbraw/zinc/17/88/03/513178803.db2.gz YQWSTASMKOJEAR-ZDUSSCGKSA-N 1 0 370.409 2.520 20 5 FFBDRO COC(=O)[C@]1(c2ccccc2)CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000428773785 513187198 /nfs/dbraw/zinc/18/71/98/513187198.db2.gz RWPSTUDKABUTLM-HXUWFJFHSA-N 1 0 370.405 2.790 20 5 FFBDRO COC(=O)[C@@]1(c2ccccc2)CC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000428793990 513193961 /nfs/dbraw/zinc/19/39/61/513193961.db2.gz MBYOZFIZVIKJTK-FQEVSTJZSA-N 1 0 370.405 2.920 20 5 FFBDRO C[C@@H](NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000428966307 513236793 /nfs/dbraw/zinc/23/67/93/513236793.db2.gz KCJVORHZWGXPDQ-VXGBXAGGSA-N 1 0 355.822 2.521 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)c1C ZINC000440080061 513243500 /nfs/dbraw/zinc/24/35/00/513243500.db2.gz QJAMHRIVIRAFSB-OCCSQVGLSA-N 1 0 369.487 2.610 20 5 FFBDRO CO[C@H](Cc1ccccc1)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000450561483 513251547 /nfs/dbraw/zinc/25/15/47/513251547.db2.gz FWHODNXLEFAXHT-FUHWJXTLSA-N 1 0 356.426 2.734 20 5 FFBDRO COCCCN(C(=O)c1cc([N+](=O)[O-])c(C)cc1C)C1CC[NH+](C)CC1 ZINC000421537654 513299784 /nfs/dbraw/zinc/29/97/84/513299784.db2.gz BCYDYPCMFGOQIL-UHFFFAOYSA-N 1 0 363.458 2.785 20 5 FFBDRO [NH3+]C[C@H]1CC[C@H](CNC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000417986861 513318143 /nfs/dbraw/zinc/31/81/43/513318143.db2.gz IQKJZXRZKVOYBF-JOCQHMNTSA-N 1 0 368.865 2.855 20 5 FFBDRO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000434419754 513318985 /nfs/dbraw/zinc/31/89/85/513318985.db2.gz BJIRCDDVNLOVKX-INIZCTEOSA-N 1 0 369.425 2.527 20 5 FFBDRO O=C(NCCC[C@H]1CCC[NH2+]1)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000417986349 513319040 /nfs/dbraw/zinc/31/90/40/513319040.db2.gz IFMVZUOEDVDQEL-CQSZACIVSA-N 1 0 354.838 2.622 20 5 FFBDRO [NH3+][C@H]1CCC[C@@H](CNC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000417997225 513323788 /nfs/dbraw/zinc/32/37/88/513323788.db2.gz TUJUYFBXLUGMGT-RISCZKNCSA-N 1 0 354.838 2.607 20 5 FFBDRO CC(C)([NH2+]C[C@@H](O)COc1ccc2c(c1)OCO2)c1ccccc1[N+](=O)[O-] ZINC000429278711 513324139 /nfs/dbraw/zinc/32/41/39/513324139.db2.gz YYDVZRVFPNIZAF-CYBMUJFWSA-N 1 0 374.393 2.588 20 5 FFBDRO CCC1(CC)[C@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@H](C)[C@@H]1OC ZINC000429318998 513338432 /nfs/dbraw/zinc/33/84/32/513338432.db2.gz PSEIYUOMBSTKGF-ZZCKCESHSA-N 1 0 366.458 2.764 20 5 FFBDRO CCc1nn(C)c(N2CC[N@H+](Cc3ccccc3)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000450810651 513350527 /nfs/dbraw/zinc/35/05/27/513350527.db2.gz MTAMIPYWULCHSA-OAHLLOKOSA-N 1 0 357.458 2.849 20 5 FFBDRO Cc1c(CNC(=O)NC[C@H]2[NH2+]CCc3ccccc32)cccc1[N+](=O)[O-] ZINC000418056295 513356482 /nfs/dbraw/zinc/35/64/82/513356482.db2.gz CKGRZRZOABTNLX-QGZVFWFLSA-N 1 0 354.410 2.589 20 5 FFBDRO C[C@@H]1CCN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[C@@H](C[NH3+])C1 ZINC000418086178 513367604 /nfs/dbraw/zinc/36/76/04/513367604.db2.gz CEEXEGMQIPZWLD-QMTHXVAHSA-N 1 0 374.363 2.882 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000415668390 513369759 /nfs/dbraw/zinc/36/97/59/513369759.db2.gz ZPQXMZJBZKYPCZ-JOCQHMNTSA-N 1 0 350.419 2.880 20 5 FFBDRO [NH3+]C[C@@H](NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C1CCCC1 ZINC000418097448 513370745 /nfs/dbraw/zinc/37/07/45/513370745.db2.gz YNRVAICRPXQUNS-CQSZACIVSA-N 1 0 374.363 2.930 20 5 FFBDRO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000415687121 513380491 /nfs/dbraw/zinc/38/04/91/513380491.db2.gz ATLZNGWLGUAQRI-NOZJJQNGSA-N 1 0 369.219 2.573 20 5 FFBDRO C[C@H]1C[C@@H](NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000415693334 513384581 /nfs/dbraw/zinc/38/45/81/513384581.db2.gz HUYKJNHFWFLKRF-WPRPVWTQSA-N 1 0 357.208 2.619 20 5 FFBDRO C[NH2+]C[C@H]1CCCN1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415700536 513388368 /nfs/dbraw/zinc/38/83/68/513388368.db2.gz MPQLSYRXXXOMIL-LLVKDONJSA-N 1 0 357.208 2.573 20 5 FFBDRO C[NH2+][C@H]1CCCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000415699960 513388589 /nfs/dbraw/zinc/38/85/89/513388589.db2.gz KUHAXUOXFCTISN-JTQLQIEISA-N 1 0 357.208 2.573 20 5 FFBDRO CN(C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)[C@@H](C[NH3+])C1CC1 ZINC000415705754 513391416 /nfs/dbraw/zinc/39/14/16/513391416.db2.gz UFLFKJZJOCXURX-LBPRGKRZSA-N 1 0 357.208 2.558 20 5 FFBDRO [NH3+][C@H]1CCCCCC[C@H]1C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000429741225 513456324 /nfs/dbraw/zinc/45/63/24/513456324.db2.gz HACYVKKKVQIEDB-CVEARBPZSA-N 1 0 360.458 2.541 20 5 FFBDRO Cc1ncsc1CN(C[C@H]1CC[NH2+]C1)C(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000447455343 513480851 /nfs/dbraw/zinc/48/08/51/513480851.db2.gz ZNTJFGSKYVZGRN-AWEZNQCLSA-N 1 0 374.466 2.920 20 5 FFBDRO CCc1nn(C)c(N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)c1[N+](=O)[O-] ZINC000425280435 513490332 /nfs/dbraw/zinc/49/03/32/513490332.db2.gz XTNVPGOEVHFGDG-DOTOQJQBSA-N 1 0 355.442 2.601 20 5 FFBDRO NC(=O)c1cc([N+](=O)[O-])cnc1S[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000425285111 513490957 /nfs/dbraw/zinc/49/09/57/513490957.db2.gz SAYUJTPBZIACGS-HNNXBMFYSA-N 1 0 372.450 2.845 20 5 FFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]Cc2ccc3c(c2)OCCO3)n1 ZINC000447513654 513494135 /nfs/dbraw/zinc/49/41/35/513494135.db2.gz YACGPVDGFLJCRK-GJZGRUSLSA-N 1 0 358.398 2.836 20 5 FFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCCOCC2CCOCC2)n1 ZINC000447538866 513501721 /nfs/dbraw/zinc/50/17/21/513501721.db2.gz DQFQKUPQDPPKAV-SJORKVTESA-N 1 0 366.462 2.698 20 5 FFBDRO O=C(CC1CCCC1)NCC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447540465 513502032 /nfs/dbraw/zinc/50/20/32/513502032.db2.gz JTVKRHGSILINJS-HOTGVXAUSA-N 1 0 363.462 2.561 20 5 FFBDRO CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000447541151 513502085 /nfs/dbraw/zinc/50/20/85/513502085.db2.gz LIUZJUSGPJLUFX-FXUDXRNXSA-N 1 0 363.462 2.512 20 5 FFBDRO O=C(C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)Nc1ccc(F)cc1 ZINC000447540495 513502576 /nfs/dbraw/zinc/50/25/76/513502576.db2.gz JVMKUBMVQZHBCN-LSDHHAIUSA-N 1 0 361.377 2.642 20 5 FFBDRO COc1ccc(OCC[N@@H+]2CCC[C@@H]([C@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000441186289 513508164 /nfs/dbraw/zinc/50/81/64/513508164.db2.gz WNDSXDZADQZSLF-CABCVRRESA-N 1 0 350.415 2.731 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCC1CCS(=O)(=O)CC1)CCC2 ZINC000447577679 513512930 /nfs/dbraw/zinc/51/29/30/513512930.db2.gz AYRJORAPGCSDRT-KRWDZBQOSA-N 1 0 352.456 2.777 20 5 FFBDRO CN(c1ccccc1)c1ccc(CN2CCO[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000435385664 513572512 /nfs/dbraw/zinc/57/25/12/513572512.db2.gz RAPJRVSQOURXTF-QGZVFWFLSA-N 1 0 356.426 2.522 20 5 FFBDRO CCOC(=O)c1ccnc(NC[C@@H]2[N@H+](C)CCCC2(C)C)c1[N+](=O)[O-] ZINC000447812385 513578126 /nfs/dbraw/zinc/57/81/26/513578126.db2.gz LMJSAHGLZVBCFB-ZDUSSCGKSA-N 1 0 350.419 2.699 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000447852205 513600894 /nfs/dbraw/zinc/60/08/94/513600894.db2.gz YTCISGNZMSOFII-INIZCTEOSA-N 1 0 365.430 2.679 20 5 FFBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2COC[C@H]2O)ccc1Oc1ccccc1Cl ZINC000451228187 513609806 /nfs/dbraw/zinc/60/98/06/513609806.db2.gz HRYIVANDRWANSY-UKRRQHHQSA-N 1 0 364.785 2.890 20 5 FFBDRO Cc1cc(NC(=O)c2cc(C)ccc2[N+](=O)[O-])n(C2CC[NH+](C)CC2)n1 ZINC000430468393 513661174 /nfs/dbraw/zinc/66/11/74/513661174.db2.gz FSSGNCUUQASTGH-UHFFFAOYSA-N 1 0 357.414 2.927 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)[C@H]1CCC[NH2+]CC1 ZINC000435749655 513676678 /nfs/dbraw/zinc/67/66/78/513676678.db2.gz KVSHWOBZXSNUPD-YPMHNXCESA-N 1 0 355.822 2.616 20 5 FFBDRO Cc1cc(OCC(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000430537039 513678626 /nfs/dbraw/zinc/67/86/26/513678626.db2.gz KDCWSOJKGAZDRL-MRXNPFEDSA-N 1 0 371.437 2.919 20 5 FFBDRO COCC(C)(C)[NH+]1CCN(C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)CC1 ZINC000425664774 513689162 /nfs/dbraw/zinc/68/91/62/513689162.db2.gz QDUDXCWHWLGRGT-UHFFFAOYSA-N 1 0 364.446 2.786 20 5 FFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000451349118 513694160 /nfs/dbraw/zinc/69/41/60/513694160.db2.gz WOZOJSTWEUACDM-PILAGYSTSA-N 1 0 361.442 2.937 20 5 FFBDRO O=C(NCC[NH+]1CCCC1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000435837610 513694909 /nfs/dbraw/zinc/69/49/09/513694909.db2.gz VXMSUQNFDLSJJD-UHFFFAOYSA-N 1 0 371.387 2.785 20 5 FFBDRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000419005191 513714605 /nfs/dbraw/zinc/71/46/05/513714605.db2.gz RSRXEUPNVUIGBN-CHWSQXEVSA-N 1 0 362.455 2.610 20 5 FFBDRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1c1ccc([N+](=O)[O-])c(OC(C)(C)C)c1 ZINC000419007334 513714813 /nfs/dbraw/zinc/71/48/13/513714813.db2.gz RKRAMHWRQYQKQS-KBPBESRZSA-N 1 0 351.447 2.663 20 5 FFBDRO CC(C)Oc1cc(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)ccc1[N+](=O)[O-] ZINC000413620310 513739421 /nfs/dbraw/zinc/73/94/21/513739421.db2.gz AASQFCLTQGYJIX-JKSUJKDBSA-N 1 0 361.442 2.938 20 5 FFBDRO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000430820416 513757362 /nfs/dbraw/zinc/75/73/62/513757362.db2.gz KAVDIKFNJZANDT-HOTGVXAUSA-N 1 0 365.478 2.507 20 5 FFBDRO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000430828381 513759638 /nfs/dbraw/zinc/75/96/38/513759638.db2.gz SNGDAYFAWTUWKK-QAPCUYQASA-N 1 0 363.458 2.990 20 5 FFBDRO CC1(C)[C@H]([NH2+]Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[C@@H]2CCCO[C@@H]21 ZINC000451477314 513773515 /nfs/dbraw/zinc/77/35/15/513773515.db2.gz HFMPJTWYJCSWPC-IMJJTQAJSA-N 1 0 358.398 2.938 20 5 FFBDRO CO[C@@]1(C)C[C@@H]([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1(C)C ZINC000451482194 513778080 /nfs/dbraw/zinc/77/80/80/513778080.db2.gz CJSYFASDFFNSJB-CJNGLKHVSA-N 1 0 355.822 2.980 20 5 FFBDRO CCN(CCC[NH+]1CCCC1)S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000416468281 513788310 /nfs/dbraw/zinc/78/83/10/513788310.db2.gz FGTOXAPNFWAPPE-UHFFFAOYSA-N 1 0 369.487 2.708 20 5 FFBDRO CC(C)O[C@@H]1C[C@H]([NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1(C)C ZINC000451503519 513794981 /nfs/dbraw/zinc/79/49/81/513794981.db2.gz QRIFDPGOFGGTJK-DLBZAZTESA-N 1 0 361.442 2.666 20 5 FFBDRO CCO[C@H]1CC[N@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C[C@H]1C ZINC000451545455 513823128 /nfs/dbraw/zinc/82/31/28/513823128.db2.gz RBCWNEFVYIAMFH-DYVFJYSZSA-N 1 0 365.430 2.679 20 5 FFBDRO C[C@@H]1C[N@H+](CCCNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])CCCO1 ZINC000436376324 513841090 /nfs/dbraw/zinc/84/10/90/513841090.db2.gz HHQQNZCJGLIBHY-LLVKDONJSA-N 1 0 362.352 2.921 20 5 FFBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)[N@@H+]1CCCC[C@H]1C ZINC000448699168 513852348 /nfs/dbraw/zinc/85/23/48/513852348.db2.gz SMHIYWVZXWZRMW-CABCVRRESA-N 1 0 371.441 2.773 20 5 FFBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000448723770 513866619 /nfs/dbraw/zinc/86/66/19/513866619.db2.gz IVAJDXYFKRMOSJ-NEPJUHHUSA-N 1 0 357.332 2.970 20 5 FFBDRO Cc1cc(OCC(=O)NC[C@@H](c2cccs2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000431349576 513880041 /nfs/dbraw/zinc/88/00/41/513880041.db2.gz MHVHDBDGXJHCGB-HNNXBMFYSA-N 1 0 363.439 2.763 20 5 FFBDRO CCC[NH+]1CCC(CNC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000448846133 513928409 /nfs/dbraw/zinc/92/84/09/513928409.db2.gz RZKSHXLGUJBBFH-UHFFFAOYSA-N 1 0 361.442 2.796 20 5 FFBDRO Cc1c([C@H]2OCC[C@@H]2[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)cnn1C ZINC000431709238 513975885 /nfs/dbraw/zinc/97/58/85/513975885.db2.gz KDFLNZBJRMZZPY-JKSUJKDBSA-N 1 0 350.806 2.910 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@@H](CO)CC(C)(C)C ZINC000451785866 513979907 /nfs/dbraw/zinc/97/99/07/513979907.db2.gz VVYWDFOGOGEUFP-OAHLLOKOSA-N 1 0 351.447 2.961 20 5 FFBDRO CO[C@@H]([C@H](C)[NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000414181294 514000867 /nfs/dbraw/zinc/00/08/67/514000867.db2.gz LYDIPUINLURQIN-WMFXKJRFSA-N 1 0 355.822 2.978 20 5 FFBDRO C[C@@H]1CC[N@H+](C)CCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431943344 514048063 /nfs/dbraw/zinc/04/80/63/514048063.db2.gz VRGJUDGJLHOTPZ-SNVBAGLBSA-N 1 0 356.220 2.524 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccccc1Cn1cncn1 ZINC000449056586 514054917 /nfs/dbraw/zinc/05/49/17/514054917.db2.gz QTPFWACXWMBMQV-OAHLLOKOSA-N 1 0 351.410 2.955 20 5 FFBDRO O=C(C[N@@H+]1CCC[C@@]2(CCSC2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000451963298 514098700 /nfs/dbraw/zinc/09/87/00/514098700.db2.gz HKIZTNDVVDPSCP-GOSISDBHSA-N 1 0 361.467 2.703 20 5 FFBDRO C[NH+](C)C[C@H]1CCN(C(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000444032159 514104598 /nfs/dbraw/zinc/10/45/98/514104598.db2.gz BXMMAWOULKJOFW-CYBMUJFWSA-N 1 0 367.424 2.844 20 5 FFBDRO [NH3+]C[C@@H](NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1CCCCC1 ZINC000420356629 514109351 /nfs/dbraw/zinc/10/93/51/514109351.db2.gz GPZORLCSVFQXRC-CQSZACIVSA-N 1 0 354.838 2.684 20 5 FFBDRO O=C(CN1CCCC[C@H]1[C@H]1CC[NH2+]C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000420412408 514138850 /nfs/dbraw/zinc/13/88/50/514138850.db2.gz ZBHYPLAKWPSRFJ-LRDDRELGSA-N 1 0 366.849 2.651 20 5 FFBDRO Cc1cc(N2CCC[C@@H]([NH2+][C@H](C)Cc3ccccc3[N+](=O)[O-])C2)n(C)n1 ZINC000449285507 514145298 /nfs/dbraw/zinc/14/52/98/514145298.db2.gz RYJPTIWJUKKQRX-RHSMWYFYSA-N 1 0 357.458 2.826 20 5 FFBDRO CCC[NH2+]CCNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000423459213 514147043 /nfs/dbraw/zinc/14/70/43/514147043.db2.gz KZFUZQKBIQHOLJ-UHFFFAOYSA-N 1 0 359.376 2.689 20 5 FFBDRO C[C@@H](NC[C@H]1C[NH2+]CCN1C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000423481866 514149627 /nfs/dbraw/zinc/14/96/27/514149627.db2.gz QYFDOSCQDUNVHX-ZIAGYGMSSA-N 1 0 360.483 2.878 20 5 FFBDRO CC[N@H+](CCNC(=O)c1ccc(F)cc1[N+](=O)[O-])CCC(F)(F)F ZINC000427217546 514151925 /nfs/dbraw/zinc/15/19/25/514151925.db2.gz JMFKLOBTWNDUDR-UHFFFAOYSA-N 1 0 351.300 2.738 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cc(S(C)(=O)=O)ccc1F ZINC000449305955 514156998 /nfs/dbraw/zinc/15/69/98/514156998.db2.gz IXMXZENPBKFAIB-LBPRGKRZSA-N 1 0 366.414 2.858 20 5 FFBDRO [NH3+]C1(CNC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)CCC1 ZINC000423515459 514157646 /nfs/dbraw/zinc/15/76/46/514157646.db2.gz VNJPUMPEXQAKAE-UHFFFAOYSA-N 1 0 357.360 2.571 20 5 FFBDRO COc1ccc(C[C@H](CO)C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])cc1O ZINC000449325722 514166253 /nfs/dbraw/zinc/16/62/53/514166253.db2.gz PBDTVMGCGBLBDL-HOCLYGCPSA-N 1 0 374.437 2.681 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000449323392 514167118 /nfs/dbraw/zinc/16/71/18/514167118.db2.gz UVOKHSBOPSGAHE-DOTOQJQBSA-N 1 0 360.458 2.796 20 5 FFBDRO CNC(=O)NC1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000414541723 514169733 /nfs/dbraw/zinc/16/97/33/514169733.db2.gz JIBZVLCBAADIPJ-UHFFFAOYSA-N 1 0 358.398 2.748 20 5 FFBDRO COC(=O)[C@@H]1C[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C[C@H]1c1ccc(O)cc1 ZINC000449351213 514177784 /nfs/dbraw/zinc/17/77/84/514177784.db2.gz ZRCVKIRAPDIYSJ-ZWKOTPCHSA-N 1 0 370.405 2.997 20 5 FFBDRO C[C@@H](NC(=O)NC[C@H]1[NH2+]CCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000417128376 514182109 /nfs/dbraw/zinc/18/21/09/514182109.db2.gz IHJDRMUGQQXUPT-FZKQIMNGSA-N 1 0 354.410 2.842 20 5 FFBDRO COc1cc(C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)cc([N+](=O)[O-])c1C ZINC000423625379 514186643 /nfs/dbraw/zinc/18/66/43/514186643.db2.gz CYMXGHZPCRNMIC-UHFFFAOYSA-N 1 0 359.357 2.949 20 5 FFBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCCN1CCCO ZINC000449386005 514189631 /nfs/dbraw/zinc/18/96/31/514189631.db2.gz HBSZHWGOTIQTDG-QXAKKESOSA-N 1 0 361.486 2.742 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+]CC(C)(C)c2ccccn2)cc1[N+](=O)[O-] ZINC000449392718 514193627 /nfs/dbraw/zinc/19/36/27/514193627.db2.gz KNTPJMJFQQJNDA-UHFFFAOYSA-N 1 0 373.409 2.609 20 5 FFBDRO O=C(C[C@@H]1CCC[NH2+]CC1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000427372183 514196385 /nfs/dbraw/zinc/19/63/85/514196385.db2.gz JYQHYWHLECWVQY-OAHLLOKOSA-N 1 0 361.442 2.744 20 5 FFBDRO CC(C)[N@@H+]1CC[C@H](N(C)CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000452112073 514199754 /nfs/dbraw/zinc/19/97/54/514199754.db2.gz FAURMWXSDMZMBH-ZDUSSCGKSA-N 1 0 354.838 2.601 20 5 FFBDRO [NH3+][C@H]1CCC[C@H](CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000423696291 514203624 /nfs/dbraw/zinc/20/36/24/514203624.db2.gz HRHGOXMDXSTASV-JQWIXIFHSA-N 1 0 357.863 2.974 20 5 FFBDRO CC[C@H]([NH2+]Cc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-])[C@@H](C)O ZINC000449537619 514247417 /nfs/dbraw/zinc/24/74/17/514247417.db2.gz GFNHBMDQTIBPAX-KOLCDFICSA-N 1 0 366.336 2.794 20 5 FFBDRO CCOc1cc(NC(=O)N[C@@H]2CC[C@H](C[NH3+])C2)c([N+](=O)[O-])cc1OCC ZINC000414762365 514278792 /nfs/dbraw/zinc/27/87/92/514278792.db2.gz VWXPHNVOCIZMJH-NWDGAFQWSA-N 1 0 366.418 2.641 20 5 FFBDRO [NH3+][C@H]1CCC[C@@H](CNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000449648534 514281021 /nfs/dbraw/zinc/28/10/21/514281021.db2.gz QWQOVGXNORYSRZ-YPMHNXCESA-N 1 0 355.822 2.651 20 5 FFBDRO CCCOc1cc(NC(=O)N2CC[C@H]([NH3+])C2)c([N+](=O)[O-])cc1OCCC ZINC000414784732 514291439 /nfs/dbraw/zinc/29/14/39/514291439.db2.gz LAENCDDVDOHKQX-LBPRGKRZSA-N 1 0 366.418 2.737 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCCCS1(=O)=O)CCCC2 ZINC000417343122 514303643 /nfs/dbraw/zinc/30/36/43/514303643.db2.gz NXLPUVRKWWLWJK-DOTOQJQBSA-N 1 0 352.456 2.919 20 5 FFBDRO CN(CC(=O)N[C@H](CCC[NH3+])c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000423962764 514310426 /nfs/dbraw/zinc/31/04/26/514310426.db2.gz FVJCPWKQRUPLGY-MRXNPFEDSA-N 1 0 356.426 2.627 20 5 FFBDRO O=C(COc1cccc([N+](=O)[O-])c1)Nc1nc(C2CC[NH2+]CC2)cs1 ZINC000423974970 514317095 /nfs/dbraw/zinc/31/70/95/514317095.db2.gz BQCOPRTYVUMWRQ-UHFFFAOYSA-N 1 0 362.411 2.536 20 5 FFBDRO CCc1ccc(C(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)cc1[N+](=O)[O-] ZINC000423993944 514326541 /nfs/dbraw/zinc/32/65/41/514326541.db2.gz BMJPGYFIDZIIKR-AEFFLSMTSA-N 1 0 361.442 2.516 20 5 FFBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000423999288 514330039 /nfs/dbraw/zinc/33/00/39/514330039.db2.gz NCPFLGVZZIDSIF-SFHVURJKSA-N 1 0 354.410 2.570 20 5 FFBDRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000424001171 514331995 /nfs/dbraw/zinc/33/19/95/514331995.db2.gz MYQMUMBTFBBILD-GOEBONIOSA-N 1 0 367.833 2.607 20 5 FFBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000424005369 514334584 /nfs/dbraw/zinc/33/45/84/514334584.db2.gz SUSBWVBPWSISIB-KRWDZBQOSA-N 1 0 357.435 2.860 20 5 FFBDRO COc1cc(C(=O)N2CC[NH2+]C[C@H]2c2ccccc2)cc([N+](=O)[O-])c1C ZINC000424012228 514339923 /nfs/dbraw/zinc/33/99/23/514339923.db2.gz ZOXRUXLZRAWCJJ-KRWDZBQOSA-N 1 0 355.394 2.699 20 5 FFBDRO CC(C)[N@@H+]1CC[C@@H](N(C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000449786756 514350737 /nfs/dbraw/zinc/35/07/37/514350737.db2.gz PYQIZIIOTQTOLK-GOSISDBHSA-N 1 0 357.458 2.910 20 5 FFBDRO C[C@H]1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)[C@@H](C[NH3+])C1 ZINC000414952059 514372706 /nfs/dbraw/zinc/37/27/06/514372706.db2.gz QLPJWUOFUJUJMO-GXSJLCMTSA-N 1 0 358.345 2.787 20 5 FFBDRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414955847 514374944 /nfs/dbraw/zinc/37/49/44/514374944.db2.gz UUDZAKMCXWRCLX-HZNSRWLBSA-N 1 0 370.356 2.834 20 5 FFBDRO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000414957251 514375862 /nfs/dbraw/zinc/37/58/62/514375862.db2.gz VZDHHYIWQNKVPE-LLVKDONJSA-N 1 0 356.329 2.554 20 5 FFBDRO CC[C@@H]([NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C(=O)N1CCOCC1 ZINC000433290454 514446526 /nfs/dbraw/zinc/44/65/26/514446526.db2.gz SUGABBZPGWKZSB-IAGOWNOFSA-N 1 0 361.442 2.544 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C[C@H]1C ZINC000449968954 514447198 /nfs/dbraw/zinc/44/71/98/514447198.db2.gz CKIGKHBGWRNEDT-CZUORRHYSA-N 1 0 371.441 2.930 20 5 FFBDRO CS(=O)(=O)CCCC[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000424305526 514451656 /nfs/dbraw/zinc/45/16/56/514451656.db2.gz DSSRAOYETZTNQW-HOCLYGCPSA-N 1 0 354.472 2.720 20 5 FFBDRO C[C@H](CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)[N@@H+]1CCCC[C@@H]1C ZINC000445487284 514486199 /nfs/dbraw/zinc/48/61/99/514486199.db2.gz FAHIPHXKPPWZOB-LSDHHAIUSA-N 1 0 360.458 2.925 20 5 FFBDRO Cn1ccnc1C(=O)c1ccc(NCC23CCC[NH+]2CCC3)c([N+](=O)[O-])c1 ZINC000439122915 514497561 /nfs/dbraw/zinc/49/75/61/514497561.db2.gz ZWOJNVZANXMSLR-UHFFFAOYSA-N 1 0 369.425 2.600 20 5 FFBDRO NC(=O)c1cccc(NC2CC[NH+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000439127256 514497835 /nfs/dbraw/zinc/49/78/35/514497835.db2.gz IXYFCPQCIIBMRG-UHFFFAOYSA-N 1 0 354.410 2.770 20 5 FFBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2NC[C@@H](c1ccco1)[NH+](C)C ZINC000450214567 514545871 /nfs/dbraw/zinc/54/58/71/514545871.db2.gz INGVUYVCVWKVQQ-HNNXBMFYSA-N 1 0 356.382 2.881 20 5 FFBDRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000470642161 514562066 /nfs/dbraw/zinc/56/20/66/514562066.db2.gz QABSICMLWKGLLZ-UHFFFAOYSA-N 1 0 350.444 2.969 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)C(=O)NCCc1ccccc1 ZINC000453414130 514625196 /nfs/dbraw/zinc/62/51/96/514625196.db2.gz SPTHGZHYIJZDRX-HZPDHXFCSA-N 1 0 355.438 2.863 20 5 FFBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C)C[C@@H](C)C1 ZINC000453427489 514630974 /nfs/dbraw/zinc/63/09/74/514630974.db2.gz PEOCDDLVCHOUNX-GRDNDAEWSA-N 1 0 370.457 2.557 20 5 FFBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C)C[C@@H](C)C1 ZINC000453428740 514632732 /nfs/dbraw/zinc/63/27/32/514632732.db2.gz QMHSUGIWXHGTDG-JJRVBVJISA-N 1 0 370.457 2.557 20 5 FFBDRO COc1cc(C[NH2+]C[C@@H](CO)CC2CCCC2)c([N+](=O)[O-])cc1OC ZINC000466419756 514643495 /nfs/dbraw/zinc/64/34/95/514643495.db2.gz QNHLFJNEHUSMGF-AWEZNQCLSA-N 1 0 352.431 2.890 20 5 FFBDRO CC[C@H](C)[NH+]1CCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2CC)CC1 ZINC000453457361 514651840 /nfs/dbraw/zinc/65/18/40/514651840.db2.gz ALKBJAPZFAYHLB-AWEZNQCLSA-N 1 0 358.446 2.794 20 5 FFBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000470959289 514694326 /nfs/dbraw/zinc/69/43/26/514694326.db2.gz HRUBWGCKETZPAX-HOCLYGCPSA-N 1 0 360.458 2.586 20 5 FFBDRO C[NH+](C)CC1(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCC1 ZINC000466579996 514699416 /nfs/dbraw/zinc/69/94/16/514699416.db2.gz BJNKWLKBVMMARI-UHFFFAOYSA-N 1 0 356.220 2.571 20 5 FFBDRO COc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])n2C)[NH+]2CCCC2)cc1 ZINC000497986732 514716468 /nfs/dbraw/zinc/71/64/68/514716468.db2.gz PWENKOTZJUYRSQ-QGZVFWFLSA-N 1 0 372.425 2.509 20 5 FFBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000461796990 514744939 /nfs/dbraw/zinc/74/49/39/514744939.db2.gz PUPSMTLGWCOOPX-HNNXBMFYSA-N 1 0 350.463 2.899 20 5 FFBDRO CCC1(CC)[C@H]([NH2+][C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H]1OC ZINC000479892748 514764080 /nfs/dbraw/zinc/76/40/80/514764080.db2.gz VFBYXVOEUGXDLD-GVDBMIGSSA-N 1 0 361.442 2.883 20 5 FFBDRO O=C(CC[N@@H+]1CCc2ccccc2C1)NCCc1ccc([N+](=O)[O-])cc1 ZINC000471387363 514861254 /nfs/dbraw/zinc/86/12/54/514861254.db2.gz DKMHNVUXBWFSKX-UHFFFAOYSA-N 1 0 353.422 2.702 20 5 FFBDRO COc1ccc(C[NH2+][C@H](C)CC(N)=O)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000498375942 514889556 /nfs/dbraw/zinc/88/95/56/514889556.db2.gz RPEHHXQMFRCICM-CYBMUJFWSA-N 1 0 373.409 2.536 20 5 FFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000462190956 514929892 /nfs/dbraw/zinc/92/98/92/514929892.db2.gz RNCWPDHHSNVFGO-ACJLOTCBSA-N 1 0 357.385 2.984 20 5 FFBDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000498498783 514932999 /nfs/dbraw/zinc/93/29/99/514932999.db2.gz ZPWZEOFTAVKBGD-INIZCTEOSA-N 1 0 368.865 2.772 20 5 FFBDRO COc1ccc(C[N@H+](CCn2cc([N+](=O)[O-])cn2)CC2CC2)c(OC)c1 ZINC000503233022 514971636 /nfs/dbraw/zinc/97/16/36/514971636.db2.gz JEDGZRZOEXYTJR-UHFFFAOYSA-N 1 0 360.414 2.721 20 5 FFBDRO C[NH+](C)[C@@H](CNc1ncnc2cccc([N+](=O)[O-])c21)c1ccc(F)cc1 ZINC000509029233 514994826 /nfs/dbraw/zinc/99/48/26/514994826.db2.gz DISNNYHBDKNOLK-INIZCTEOSA-N 1 0 355.373 2.814 20 5 FFBDRO Cn1c(C(=O)N2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000471781897 515010995 /nfs/dbraw/zinc/01/09/95/515010995.db2.gz QOXUVSBIGYEWNZ-IRXDYDNUSA-N 1 0 370.453 2.746 20 5 FFBDRO [NH3+]CCCN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)CC1CCCC1 ZINC000489907339 515026163 /nfs/dbraw/zinc/02/61/63/515026163.db2.gz KVPKVYCUZRUBEP-UHFFFAOYSA-N 1 0 359.430 2.986 20 5 FFBDRO C[C@@H]1CC[N@H+](C)CCN1C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000498723683 515040392 /nfs/dbraw/zinc/04/03/92/515040392.db2.gz YPFIOEYPQCKUPG-GFCCVEGCSA-N 1 0 360.439 2.885 20 5 FFBDRO Cc1ccc(C)c(S(=O)(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000480699838 515049768 /nfs/dbraw/zinc/04/97/68/515049768.db2.gz PJLIRYHJBRACAJ-SWLSCSKDSA-N 1 0 369.487 2.610 20 5 FFBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000489977137 515053414 /nfs/dbraw/zinc/05/34/14/515053414.db2.gz DQZLDRMLMUXANS-NWDGAFQWSA-N 1 0 368.231 2.714 20 5 FFBDRO C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)CC[N@@H+]1C ZINC000462480375 515075404 /nfs/dbraw/zinc/07/54/04/515075404.db2.gz LUIANQHGYDWVFD-ZBFHGGJFSA-N 1 0 356.426 2.885 20 5 FFBDRO Cc1c(CNC(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000490198267 515137882 /nfs/dbraw/zinc/13/78/82/515137882.db2.gz CJGVYZBCRXWGJA-AWEZNQCLSA-N 1 0 360.458 2.919 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCC2([NH+](C)C)CCCCC2)c1C ZINC000480941613 515146715 /nfs/dbraw/zinc/14/67/15/515146715.db2.gz YJZPVSOZZKOLPI-UHFFFAOYSA-N 1 0 369.487 2.754 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)c1C ZINC000480946222 515148491 /nfs/dbraw/zinc/14/84/91/515148491.db2.gz ANGOXYKWHRQZRB-OCCSQVGLSA-N 1 0 369.487 2.610 20 5 FFBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000462780260 515240497 /nfs/dbraw/zinc/24/04/97/515240497.db2.gz VTPXUPRDQHPBBD-YJBOKZPZSA-N 1 0 365.499 2.717 20 5 FFBDRO CNc1c(C(=O)NC[C@H](C)[N@@H+]2CCc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000462907324 515292833 /nfs/dbraw/zinc/29/28/33/515292833.db2.gz FMXNUHPYERFUCM-AWEZNQCLSA-N 1 0 368.437 2.813 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(C(F)F)CC1 ZINC000486135271 515348694 /nfs/dbraw/zinc/34/86/94/515348694.db2.gz IEHKYYVWGVJEEE-UHFFFAOYSA-N 1 0 357.357 2.909 20 5 FFBDRO CN(CC(=O)N1CC[NH+](CCC(C)(C)C)CC1)c1ccccc1[N+](=O)[O-] ZINC000463179073 515386010 /nfs/dbraw/zinc/38/60/10/515386010.db2.gz YKEOCQOBDLGUIA-UHFFFAOYSA-N 1 0 362.474 2.611 20 5 FFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(C(N)=O)nc1 ZINC000504894368 515402245 /nfs/dbraw/zinc/40/22/45/515402245.db2.gz KZMGXRIBQMKBRD-CYBMUJFWSA-N 1 0 360.439 2.749 20 5 FFBDRO C[N@@H+]1C[C@@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000481757048 515454375 /nfs/dbraw/zinc/45/43/75/515454375.db2.gz WQJCCCYRSJYVQQ-IAGOWNOFSA-N 1 0 369.421 2.578 20 5 FFBDRO CC[C@H](C)[NH2+][C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000510440754 515542031 /nfs/dbraw/zinc/54/20/31/515542031.db2.gz DCVWLNCZMOBQAM-SWLSCSKDSA-N 1 0 367.427 2.596 20 5 FFBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])C[C@H]1C ZINC000500122174 515598462 /nfs/dbraw/zinc/59/84/62/515598462.db2.gz OALMKLUFYQOBMM-NEPJUHHUSA-N 1 0 367.471 2.880 20 5 FFBDRO CCOC(=O)c1noc(CN2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000459514175 515609959 /nfs/dbraw/zinc/60/99/59/515609959.db2.gz OYMWYUPVCCSTFS-CYBMUJFWSA-N 1 0 360.370 2.534 20 5 FFBDRO CC(C)[C@@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1(CO)CCCC1 ZINC000459520147 515616573 /nfs/dbraw/zinc/61/65/73/515616573.db2.gz CNCGVNZZNXPUIP-CRAIPNDOSA-N 1 0 366.458 2.501 20 5 FFBDRO COc1cc(C[NH2+]C[C@@]2(C)CCCO2)c([N+](=O)[O-])cc1OCC(F)F ZINC000493687789 515656294 /nfs/dbraw/zinc/65/62/94/515656294.db2.gz NFKQGMRUEFQONN-MRXNPFEDSA-N 1 0 360.357 2.906 20 5 FFBDRO CCCC[N@H+](C)CCNC(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1C ZINC000486879028 515669519 /nfs/dbraw/zinc/66/95/19/515669519.db2.gz HVDVXOKVSPUGFK-UHFFFAOYSA-N 1 0 366.418 2.543 20 5 FFBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000486969528 515702344 /nfs/dbraw/zinc/70/23/44/515702344.db2.gz HSCOPJGGULXKIM-GFCCVEGCSA-N 1 0 356.854 2.820 20 5 FFBDRO COc1ccc(-c2ccc(C[NH2+]CCc3cn(C)cn3)o2)c([N+](=O)[O-])c1 ZINC000459659446 515725686 /nfs/dbraw/zinc/72/56/86/515725686.db2.gz KAGGBQDDKUMNPC-UHFFFAOYSA-N 1 0 356.382 2.929 20 5 FFBDRO COC(=O)c1cnc(NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000478252314 515753962 /nfs/dbraw/zinc/75/39/62/515753962.db2.gz FOJMWWMJGUVETA-INIZCTEOSA-N 1 0 364.446 2.945 20 5 FFBDRO C[C@@H]1CN(c2ccc3ncccc3c2[N+](=O)[O-])CC[C@H]1[NH+]1CCN(C)CC1 ZINC000487092473 515755336 /nfs/dbraw/zinc/75/53/36/515755336.db2.gz JJMOSGMDFPFHSB-CRAIPNDOSA-N 1 0 369.469 2.605 20 5 FFBDRO CO[C@@H]1C[C@@H]([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C12CCC2 ZINC000459740690 515779998 /nfs/dbraw/zinc/77/99/98/515779998.db2.gz BNRAASGHTFALPQ-ZIAGYGMSSA-N 1 0 353.806 2.734 20 5 FFBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccc(OCC(F)(F)F)cc1 ZINC000511120209 515792105 /nfs/dbraw/zinc/79/21/05/515792105.db2.gz BXRHRNITVXHNBS-UHFFFAOYSA-N 1 0 358.320 2.864 20 5 FFBDRO Cc1c(CNC(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000478460834 515834614 /nfs/dbraw/zinc/83/46/14/515834614.db2.gz KCYMKSZJSMVKOW-GOSISDBHSA-N 1 0 370.453 2.875 20 5 FFBDRO CC(C)C[C@@H](CNC(=O)c1cc([N+](=O)[O-])nn1C)[NH2+][C@H](C)c1ccccc1 ZINC000483043488 515900099 /nfs/dbraw/zinc/90/00/99/515900099.db2.gz AQEAJTHZKGYHJQ-ZBFHGGJFSA-N 1 0 373.457 2.824 20 5 FFBDRO CCN(C(=O)c1c([N+](=O)[O-])cnn1C)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000500900117 515900635 /nfs/dbraw/zinc/90/06/35/515900635.db2.gz HYWGBDIMDWKDJE-GDBMZVCRSA-N 1 0 371.441 2.626 20 5 FFBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000511429019 515901593 /nfs/dbraw/zinc/90/15/93/515901593.db2.gz PUFPKWHMZPMRKB-MRXNPFEDSA-N 1 0 360.458 2.796 20 5 FFBDRO CC[N@@H+]1CC[C@H](CNC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000501076275 515968075 /nfs/dbraw/zinc/96/80/75/515968075.db2.gz QVVBJDOBGUPZBJ-SNVBAGLBSA-N 1 0 371.235 2.821 20 5 FFBDRO CO[C@@]1(C)C[C@@H]([N@H+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1(C)C ZINC000464819720 515972998 /nfs/dbraw/zinc/97/29/98/515972998.db2.gz BXKBGIFLSRBZND-APWZRJJASA-N 1 0 361.442 2.619 20 5 FFBDRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNc1ccc([N+](=O)[O-])cc1Cl ZINC000506755503 515975155 /nfs/dbraw/zinc/97/51/55/515975155.db2.gz VOFCBUNPYJPVMV-OAHLLOKOSA-N 1 0 354.838 2.603 20 5 FFBDRO CCOC(=O)C1(COC)CC[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000483221308 515992031 /nfs/dbraw/zinc/99/20/31/515992031.db2.gz YWVNNAQRELLQLH-AWEZNQCLSA-N 1 0 350.415 2.948 20 5 FFBDRO [NH3+]CCCOC1CCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000469855454 515999360 /nfs/dbraw/zinc/99/93/60/515999360.db2.gz VWZRETIAQNLMHW-UHFFFAOYSA-N 1 0 359.373 2.526 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+]CCc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000474357245 516008692 /nfs/dbraw/zinc/00/86/92/516008692.db2.gz WOQBBQZGMTVRCH-UHFFFAOYSA-N 1 0 362.357 2.618 20 5 FFBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000487925646 516035828 /nfs/dbraw/zinc/03/58/28/516035828.db2.gz WVQYQZZDGFOOKU-NHYWBVRUSA-N 1 0 366.849 2.573 20 5 FFBDRO COC(=O)[C@@H]1CC[N@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[C@H]1C ZINC000469995792 516067751 /nfs/dbraw/zinc/06/77/51/516067751.db2.gz FUGALENZDMSWKT-MISXGVKJSA-N 1 0 360.370 2.589 20 5 FFBDRO CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC000460215058 516070448 /nfs/dbraw/zinc/07/04/48/516070448.db2.gz PXTNQDGXPKFQNH-UONOGXRCSA-N 1 0 358.446 2.792 20 5 FFBDRO Cc1nn(CCC(=O)Nc2ccccc2CC[NH+](C)C)c(C)c1[N+](=O)[O-] ZINC000474633088 516130383 /nfs/dbraw/zinc/13/03/83/516130383.db2.gz LURMDFSMCQPQCO-UHFFFAOYSA-N 1 0 359.430 2.541 20 5 FFBDRO O=C(NCC1([NH+]2CCCC2)CCOCC1)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470125804 516130735 /nfs/dbraw/zinc/13/07/35/516130735.db2.gz XDIGBPZBDPASFN-UHFFFAOYSA-N 1 0 366.393 2.500 20 5 FFBDRO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000470156393 516152043 /nfs/dbraw/zinc/15/20/43/516152043.db2.gz OCHBPYOYMJQIIJ-QBIMZIAESA-N 1 0 355.394 2.941 20 5 FFBDRO CC1CC[NH+](CCCCNC(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000465603782 516208308 /nfs/dbraw/zinc/20/83/08/516208308.db2.gz QUJWRNWJNPIFCG-UHFFFAOYSA-N 1 0 362.474 2.949 20 5 FFBDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000507480316 516221259 /nfs/dbraw/zinc/22/12/59/516221259.db2.gz RMFSSKJEIRHARO-HUUCEWRRSA-N 1 0 363.458 2.846 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1C ZINC000497544739 516325840 /nfs/dbraw/zinc/32/58/40/516325840.db2.gz ZVCCAVRVXZRPOZ-DOMZBBRYSA-N 1 0 369.487 2.610 20 5 FFBDRO C[C@@H]1CCC[N@H+](CCCCNc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C1 ZINC000497544292 516325883 /nfs/dbraw/zinc/32/58/83/516325883.db2.gz WKEBOALATLKCGO-CQSZACIVSA-N 1 0 369.487 2.922 20 5 FFBDRO Cc1c(NC(=O)CC[N@@H+]2CC[C@H](COC(F)F)C2)cccc1[N+](=O)[O-] ZINC000512817293 516372159 /nfs/dbraw/zinc/37/21/59/516372159.db2.gz LJLCXGUNLHQRIW-LBPRGKRZSA-N 1 0 357.357 2.793 20 5 FFBDRO COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)c2ccc([N+](=O)[O-])cn2)cc1 ZINC000543714836 516385491 /nfs/dbraw/zinc/38/54/91/516385491.db2.gz KMIQNOPOZWEMBA-GOSISDBHSA-N 1 0 370.409 2.565 20 5 FFBDRO CCC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000535583773 516411545 /nfs/dbraw/zinc/41/15/45/516411545.db2.gz WEBKUOHWMGCBRD-HZPDHXFCSA-N 1 0 351.447 2.672 20 5 FFBDRO CCc1ccc([C@H](CNC(=O)c2nn(C)cc2[N+](=O)[O-])[NH+](CC)CC)cc1 ZINC000554453029 516443532 /nfs/dbraw/zinc/44/35/32/516443532.db2.gz QQAVWESEUFHHPW-INIZCTEOSA-N 1 0 373.457 2.704 20 5 FFBDRO C[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc([S@@](C)=O)cc1 ZINC000561225949 516464208 /nfs/dbraw/zinc/46/42/08/516464208.db2.gz RGUWUAKEHKAZTP-UOXLDJKESA-N 1 0 361.423 2.622 20 5 FFBDRO COc1ccc(C(=O)NCC[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000540193730 516469050 /nfs/dbraw/zinc/46/90/50/516469050.db2.gz CLEMBPSUEOHGEX-AWEZNQCLSA-N 1 0 357.410 2.992 20 5 FFBDRO C[C@H](CNc1c2cc(Br)ccc2ncc1[N+](=O)[O-])[NH+](C)C ZINC000513118674 516481141 /nfs/dbraw/zinc/48/11/41/516481141.db2.gz OBAVSFKVJRYZFL-SECBINFHSA-N 1 0 353.220 2.689 20 5 FFBDRO CS[C@H]1CN(c2ncnc3cccc([N+](=O)[O-])c32)C[C@H]1[NH+]1CCCC1 ZINC000547708186 516511624 /nfs/dbraw/zinc/51/16/24/516511624.db2.gz UEEWSCWWWBWAJX-CABCVRRESA-N 1 0 359.455 2.554 20 5 FFBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1 ZINC000540433495 516554555 /nfs/dbraw/zinc/55/45/55/516554555.db2.gz SJTWPJOZGKMBHO-UHFFFAOYSA-N 1 0 371.441 2.765 20 5 FFBDRO Cc1ccnc(NCCCC[NH+]2CCN(c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000523759860 516571232 /nfs/dbraw/zinc/57/12/32/516571232.db2.gz QXPQIVAVLLBNGB-UHFFFAOYSA-N 1 0 369.469 2.734 20 5 FFBDRO C[C@@H]1C[C@@H](NC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)C[N@@H+]1C1CC1 ZINC000554699310 516592692 /nfs/dbraw/zinc/59/26/92/516592692.db2.gz BWJWVVBPLNDRLV-TZMCWYRMSA-N 1 0 371.441 2.543 20 5 FFBDRO CCCN(CC[NH+]1CCCCCC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000554705324 516596374 /nfs/dbraw/zinc/59/63/74/516596374.db2.gz DKISRGFNAGOYKD-UHFFFAOYSA-N 1 0 369.487 2.872 20 5 FFBDRO CC[C@@H]([NH2+]CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C1CCOCC1 ZINC000540524007 516601485 /nfs/dbraw/zinc/60/14/85/516601485.db2.gz JUWAORRUVCXMPY-OAHLLOKOSA-N 1 0 365.430 2.727 20 5 FFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]Cc1ccc2c(c1)CCS2(=O)=O ZINC000540619997 516642824 /nfs/dbraw/zinc/64/28/24/516642824.db2.gz VMVFUAFOQFQLKK-HYXAFXHYSA-N 1 0 358.419 2.728 20 5 FFBDRO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000513518356 516658773 /nfs/dbraw/zinc/65/87/73/516658773.db2.gz DLEIFQBENVFTLL-IBGZPJMESA-N 1 0 354.410 2.661 20 5 FFBDRO Cc1c(Br)c(N(C)C[C@@H]2CCC[N@H+](C)C2)ncc1[N+](=O)[O-] ZINC000554847936 516661715 /nfs/dbraw/zinc/66/17/15/516661715.db2.gz CGUDGVQAYBAVLQ-LLVKDONJSA-N 1 0 357.252 2.839 20 5 FFBDRO C[N@@H+]1CC[C@@H](NC(=O)NCCc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000536193835 516671768 /nfs/dbraw/zinc/67/17/68/516671768.db2.gz ULNOVEBZFLGNOY-MOPGFXCFSA-N 1 0 368.437 2.882 20 5 FFBDRO CCc1ccc([C@@H](NC[C@H]2C[N@H+](C)CCN2C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000544360840 516721631 /nfs/dbraw/zinc/72/16/31/516721631.db2.gz SDLPLYGWONDUJW-PXNSSMCTSA-N 1 0 372.469 2.675 20 5 FFBDRO CC[C@@H](CN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000513763054 516746376 /nfs/dbraw/zinc/74/63/76/516746376.db2.gz VEDNCOFEYVKDEK-WMZOPIPTSA-N 1 0 357.458 2.882 20 5 FFBDRO CN(C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000518899064 516814145 /nfs/dbraw/zinc/81/41/45/516814145.db2.gz PPCUVIQZESFXFZ-QGZVFWFLSA-N 1 0 372.469 2.506 20 5 FFBDRO CC(C)[N@H+](C)CC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C)CC1 ZINC000558679994 516881584 /nfs/dbraw/zinc/88/15/84/516881584.db2.gz COIZZWADECNMCJ-UHFFFAOYSA-N 1 0 372.473 2.947 20 5 FFBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000514212108 516906177 /nfs/dbraw/zinc/90/61/77/516906177.db2.gz BFVYBZUIPCHYJY-JQWIXIFHSA-N 1 0 357.357 2.608 20 5 FFBDRO COCC[C@H](COC)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000562080502 516910999 /nfs/dbraw/zinc/91/09/99/516910999.db2.gz CZGZMTDAHVBTHN-CYBMUJFWSA-N 1 0 351.428 2.859 20 5 FFBDRO Cc1sc(S(=O)(=O)NCCCCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000555414540 516917101 /nfs/dbraw/zinc/91/71/01/516917101.db2.gz UMVLLJPSBDJFOB-UHFFFAOYSA-N 1 0 361.489 2.509 20 5 FFBDRO CCC1(CNC(=O)c2c[nH]nc2[N+](=O)[O-])CC[NH+](Cc2ccccc2)CC1 ZINC000558762623 516933332 /nfs/dbraw/zinc/93/33/32/516933332.db2.gz VMTUPCSDGSTGFT-UHFFFAOYSA-N 1 0 371.441 2.740 20 5 FFBDRO CC[C@H](C)C[C@H](CC)[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000536857086 516956369 /nfs/dbraw/zinc/95/63/69/516956369.db2.gz IQOGZZDQLQGLLP-KBPBESRZSA-N 1 0 357.476 2.678 20 5 FFBDRO O=[N+]([O-])c1ccc2nc(N[C@@H]3CCCC[C@H]3[NH+]3CCOCC3)ccc2c1 ZINC000532421270 516968188 /nfs/dbraw/zinc/96/81/88/516968188.db2.gz XULYAAFTDLWBRV-QZTJIDSGSA-N 1 0 356.426 2.620 20 5 FFBDRO O=C(NCC1CC[NH+](C2CC2)CC1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000514650907 516980222 /nfs/dbraw/zinc/98/02/22/516980222.db2.gz OAMVLYXWRVRPAO-UHFFFAOYSA-N 1 0 358.442 2.537 20 5 FFBDRO CCc1nncn1CC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000548445294 516989990 /nfs/dbraw/zinc/98/99/90/516989990.db2.gz UAUUMXAGWCRVDE-UHFFFAOYSA-N 1 0 358.427 2.662 20 5 FFBDRO CS[C@H]1CN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C[C@@H]1[NH+]1CCCC1 ZINC000548517011 517030756 /nfs/dbraw/zinc/03/07/56/517030756.db2.gz YRQXZMIMYFTEDV-HOTGVXAUSA-N 1 0 374.466 2.728 20 5 FFBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](N2CCOCC2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000552097876 517075232 /nfs/dbraw/zinc/07/52/32/517075232.db2.gz PRBLIDRERIWQER-DOMZBBRYSA-N 1 0 361.364 2.817 20 5 FFBDRO C[NH+](C)CCc1ccc(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)cc1 ZINC000519647230 517102745 /nfs/dbraw/zinc/10/27/45/517102745.db2.gz MOMRFBXZOUVQKG-UHFFFAOYSA-N 1 0 356.426 2.541 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C/C=C/c2ccc(F)cc2)cc1 ZINC000541762916 517204350 /nfs/dbraw/zinc/20/43/50/517204350.db2.gz QJVCNZLDDCJBJU-OWOJBTEDSA-N 1 0 364.398 2.811 20 5 FFBDRO CCS(=O)(=O)N1CCC(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000541768861 517206984 /nfs/dbraw/zinc/20/69/84/517206984.db2.gz RKFPISFBUPXCSH-CQSZACIVSA-N 1 0 369.487 2.616 20 5 FFBDRO COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)c2cc([N+](=O)[O-])cn2C)cc1 ZINC000541856781 517255543 /nfs/dbraw/zinc/25/55/43/517255543.db2.gz FSPIGTANCCKPRI-KRWDZBQOSA-N 1 0 372.425 2.509 20 5 FFBDRO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)c1ncc([N+](=O)[O-])cn1 ZINC000545474646 517257608 /nfs/dbraw/zinc/25/76/08/517257608.db2.gz XXECSMSJPYCPLO-UHFFFAOYSA-N 1 0 369.347 2.972 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C[C@@H]1C ZINC000537618196 517261580 /nfs/dbraw/zinc/26/15/80/517261580.db2.gz PSLKXCJVJROUFU-ZFWWWQNUSA-N 1 0 351.447 2.917 20 5 FFBDRO Cc1c(NC(=O)CC[N@@H+]2CCc3ccc(O)cc3C2)cccc1[N+](=O)[O-] ZINC000533071967 517280130 /nfs/dbraw/zinc/28/01/30/517280130.db2.gz JAAFEXMHTYUUKN-UHFFFAOYSA-N 1 0 355.394 2.996 20 5 FFBDRO COc1ccc(-c2ccc(C[NH2+][C@@H](C)CN3CCCC3=O)o2)c([N+](=O)[O-])c1 ZINC000520204997 517299867 /nfs/dbraw/zinc/29/98/67/517299867.db2.gz OQIHFPWNFGIEDT-ZDUSSCGKSA-N 1 0 373.409 2.964 20 5 FFBDRO CNc1ccc(C(=O)NCc2ccc(CC[NH+](C)C)cc2)cc1[N+](=O)[O-] ZINC000526054905 517316896 /nfs/dbraw/zinc/31/68/96/517316896.db2.gz HZOYIDWNYZWGLF-UHFFFAOYSA-N 1 0 356.426 2.671 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC[C@@H](C)C[NH+]2CCCCC2)c1C ZINC000515520505 517390829 /nfs/dbraw/zinc/39/08/29/517390829.db2.gz HULVAUNYUQJFFA-CYBMUJFWSA-N 1 0 369.487 2.612 20 5 FFBDRO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000526934450 517394326 /nfs/dbraw/zinc/39/43/26/517394326.db2.gz GCXULNMRBAOIHM-AWEZNQCLSA-N 1 0 358.373 2.980 20 5 FFBDRO C[C@@H]1C[NH+](Cc2ccccc2CNc2c([N+](=O)[O-])ncn2C)C[C@@H](C)O1 ZINC000515551776 517404135 /nfs/dbraw/zinc/40/41/35/517404135.db2.gz RLKLMHDATXSVMD-ZIAGYGMSSA-N 1 0 359.430 2.550 20 5 FFBDRO C[C@@H]1C[C@@H]1N1C[C@H]([NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CC1=O ZINC000537983170 517424247 /nfs/dbraw/zinc/42/42/47/517424247.db2.gz AGUPIZKMOJNOCU-QZIVSUOLSA-N 1 0 357.454 2.905 20 5 FFBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H](O)COCc1cccs1 ZINC000549156547 517429086 /nfs/dbraw/zinc/42/90/86/517429086.db2.gz HUAJNMXFQUTXNV-MRXNPFEDSA-N 1 0 350.440 2.708 20 5 FFBDRO C[C@@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1c(F)cccc1F ZINC000538127570 517475217 /nfs/dbraw/zinc/47/52/17/517475217.db2.gz NWFUBVJVUANKPX-YPMHNXCESA-N 1 0 352.337 2.964 20 5 FFBDRO C[N@H+](CCC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)C1CCCCC1 ZINC000546016261 517492316 /nfs/dbraw/zinc/49/23/16/517492316.db2.gz IVZNPYLRXXSUOQ-UHFFFAOYSA-N 1 0 374.485 2.898 20 5 FFBDRO C[C@H]1CC[N@H+](CCNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000542351055 517516100 /nfs/dbraw/zinc/51/61/00/517516100.db2.gz DDIFBZCRSLTWIW-NSHDSACASA-N 1 0 357.863 2.798 20 5 FFBDRO CC[NH2+]Cc1ccccc1NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000562947192 517521584 /nfs/dbraw/zinc/52/15/84/517521584.db2.gz FCXKTJJONAEIMP-UHFFFAOYSA-N 1 0 359.382 2.974 20 5 FFBDRO CCC(CC)[C@H](CNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)[NH+](C)C ZINC000527136274 517523944 /nfs/dbraw/zinc/52/39/44/517523944.db2.gz DNLVPMJBTMARTI-INIZCTEOSA-N 1 0 357.476 2.548 20 5 FFBDRO CCCC[N@H+](C)C[C@H](C)NS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000516035809 517544109 /nfs/dbraw/zinc/54/41/09/517544109.db2.gz SITYXXVWXYVNKO-AWEZNQCLSA-N 1 0 357.476 2.610 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]Cc2ccnc(C(F)(F)F)c2)c1 ZINC000562998421 517570395 /nfs/dbraw/zinc/57/03/95/517570395.db2.gz IFVAQPZKCZTREC-CYBMUJFWSA-N 1 0 371.315 2.538 20 5 FFBDRO Cc1cccc(N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)c1[N+](=O)[O-] ZINC000549525939 517601475 /nfs/dbraw/zinc/60/14/75/517601475.db2.gz BZDIHTYOBJJTBW-INIZCTEOSA-N 1 0 355.442 2.921 20 5 FFBDRO CC(C)(C)[C@@H]1CCC[N@@H+]([C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000527284011 517615518 /nfs/dbraw/zinc/61/55/18/517615518.db2.gz VFHQADJVHYJKGF-CZUORRHYSA-N 1 0 359.426 2.985 20 5 FFBDRO CCCN(CCN1CCCCC1)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000553294258 517627624 /nfs/dbraw/zinc/62/76/24/517627624.db2.gz HWYMMLYMUVSNCF-UHFFFAOYSA-N 1 0 369.487 2.701 20 5 FFBDRO CCc1nn(C)c(N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1[N+](=O)[O-] ZINC000553337504 517653260 /nfs/dbraw/zinc/65/32/60/517653260.db2.gz LOTLBPDULMQNOE-HXUWFJFHSA-N 1 0 369.469 2.993 20 5 FFBDRO CC1=CC[N@H+](CCNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000546574520 517734410 /nfs/dbraw/zinc/73/44/10/517734410.db2.gz DBYFXGDBQGDNEK-UHFFFAOYSA-N 1 0 368.231 2.739 20 5 FFBDRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000553494533 517745598 /nfs/dbraw/zinc/74/55/98/517745598.db2.gz HNSYCMLJZJJGNG-UHFFFAOYSA-N 1 0 360.414 2.851 20 5 FFBDRO CC[NH+](CC)CCN(CCOC)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000521481574 517750045 /nfs/dbraw/zinc/75/00/45/517750045.db2.gz HEVMCHADFPRXQJ-UHFFFAOYSA-N 1 0 357.838 2.679 20 5 FFBDRO COc1cc(C(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000521670969 517821358 /nfs/dbraw/zinc/82/13/58/517821358.db2.gz CPTNZLOLAIQJRK-STQMWFEESA-N 1 0 365.430 2.605 20 5 FFBDRO Cn1ccnc1[C@H](NCC1(CCO)CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000560528538 517875348 /nfs/dbraw/zinc/87/53/48/517875348.db2.gz HNSXWSJKKAVXLV-QGZVFWFLSA-N 1 0 358.442 2.950 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]Cc2cccc(C(F)(F)F)n2)c1 ZINC000516862428 517877991 /nfs/dbraw/zinc/87/79/91/517877991.db2.gz BGMZLSWPMBKMMY-CYBMUJFWSA-N 1 0 371.315 2.538 20 5 FFBDRO O=C(C[NH2+][C@H](CCO)c1ccccc1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000539232310 517957676 /nfs/dbraw/zinc/95/76/76/517957676.db2.gz FNCJPTCUYLIUJQ-CQSZACIVSA-N 1 0 363.801 2.900 20 5 FFBDRO CC(C)[N@@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C1 ZINC000522107262 517987275 /nfs/dbraw/zinc/98/72/75/517987275.db2.gz WNLFRMNXXWYGDQ-OAHLLOKOSA-N 1 0 360.458 2.973 20 5 FFBDRO CC(C)C[C@H](CN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000557393527 517988301 /nfs/dbraw/zinc/98/83/01/517988301.db2.gz SQFNXLGTFHMHHP-QZTJIDSGSA-N 1 0 359.474 2.984 20 5 FFBDRO CC[NH+](CC)[C@@H](CNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)CC(C)C ZINC000550343602 518007789 /nfs/dbraw/zinc/00/77/89/518007789.db2.gz CTDKHIYERWYNJR-CQSZACIVSA-N 1 0 361.446 2.834 20 5 FFBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H](CC)C2CCOCC2)c([N+](=O)[O-])c1 ZINC000539421476 518040338 /nfs/dbraw/zinc/04/03/38/518040338.db2.gz NEAKBLGAXBAJOH-HNNXBMFYSA-N 1 0 365.430 2.727 20 5 FFBDRO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CC[NH+](C2CCCCC2)CC1 ZINC000557500126 518040933 /nfs/dbraw/zinc/04/09/33/518040933.db2.gz ZUPMCPYDCJTOOJ-UHFFFAOYSA-N 1 0 367.396 2.892 20 5 FFBDRO C[NH+](C)CCOc1ccccc1CNc1ncnc2cccc([N+](=O)[O-])c21 ZINC000543436480 518091635 /nfs/dbraw/zinc/09/16/35/518091635.db2.gz POABLGYXYIALHW-UHFFFAOYSA-N 1 0 367.409 2.512 20 5 FFBDRO CCc1ccc([C@@H](CNC(=O)Cn2ccc([N+](=O)[O-])n2)[NH+](CC)CC)cc1 ZINC000554220379 518109846 /nfs/dbraw/zinc/10/98/46/518109846.db2.gz QCRGIMDOIKHCBY-QGZVFWFLSA-N 1 0 373.457 2.553 20 5 FFBDRO COC(=O)c1cccc(CC[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000563881646 518211704 /nfs/dbraw/zinc/21/17/04/518211704.db2.gz LYPAUTFZYQMHFK-UHFFFAOYSA-N 1 0 371.393 2.542 20 5 FFBDRO C[C@H]1[C@H](NC(=O)COc2ccccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000564003668 518265907 /nfs/dbraw/zinc/26/59/07/518265907.db2.gz UFEAVOLNFZVPMV-DOTOQJQBSA-N 1 0 369.421 2.753 20 5 FFBDRO CSc1ccc([C@H](CNC(=O)c2cccc([N+](=O)[O-])c2N)[NH+](C)C)cc1 ZINC000564094409 518304396 /nfs/dbraw/zinc/30/43/96/518304396.db2.gz NOFVEVUXTVEUEZ-INIZCTEOSA-N 1 0 374.466 2.932 20 5 FFBDRO CN1CCO[C@@H]2CC[N@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)C[C@H]21 ZINC000581479436 518306335 /nfs/dbraw/zinc/30/63/35/518306335.db2.gz ADLHUQMYTHZCRW-IEBWSBKVSA-N 1 0 357.410 2.760 20 5 FFBDRO C[C@@H](C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)Oc1ccccc1F ZINC000575917393 518343083 /nfs/dbraw/zinc/34/30/83/518343083.db2.gz XGBTYMVVLOIEDL-ZFWWWQNUSA-N 1 0 364.373 2.531 20 5 FFBDRO CC1(C)CCC[NH2+][C@H]1CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000584471027 518358456 /nfs/dbraw/zinc/35/84/56/518358456.db2.gz UKVHWJTUXKNMFJ-SFHVURJKSA-N 1 0 374.485 2.706 20 5 FFBDRO CCC[NH+]1CCC(CNS(=O)(=O)c2ccc(CC)c([N+](=O)[O-])c2)CC1 ZINC000575984504 518372500 /nfs/dbraw/zinc/37/25/00/518372500.db2.gz XBGFFNWKMFKZOX-UHFFFAOYSA-N 1 0 369.487 2.558 20 5 FFBDRO COC1(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCC(C)CC1 ZINC000572835344 518383148 /nfs/dbraw/zinc/38/31/48/518383148.db2.gz UNLFFUGMSKYSQO-HQVVEAJESA-N 1 0 352.431 2.519 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@H]1CCOc2ccc(F)cc21 ZINC000578859610 518408603 /nfs/dbraw/zinc/40/86/03/518408603.db2.gz QZWQKYLXBHJBQB-ZFWWWQNUSA-N 1 0 362.357 2.587 20 5 FFBDRO COc1ccc(C[NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)c(OC)n1 ZINC000564427862 518447654 /nfs/dbraw/zinc/44/76/54/518447654.db2.gz OYRBDZGLLXJKAB-LBPRGKRZSA-N 1 0 374.397 2.514 20 5 FFBDRO O=C(CC[N@@H+]1CCc2ccccc2C1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000581775689 518449636 /nfs/dbraw/zinc/44/96/36/518449636.db2.gz YIRIGPYYWSEVPD-UHFFFAOYSA-N 1 0 365.433 2.928 20 5 FFBDRO C[N@@H+]1CC[C@H]2OCCN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)[C@H]2C1 ZINC000585783655 518596222 /nfs/dbraw/zinc/59/62/22/518596222.db2.gz ZLUVLQCGSKGCCF-DLBZAZTESA-N 1 0 354.410 2.566 20 5 FFBDRO CCOc1cc(C(=O)N2C[C@@H]([NH3+])Cc3ccccc32)c([N+](=O)[O-])cc1OC ZINC000564792929 518616438 /nfs/dbraw/zinc/61/64/38/518616438.db2.gz FGOAMJZJNJZJTG-ZDUSSCGKSA-N 1 0 371.393 2.532 20 5 FFBDRO O=C([C@H]1C[NH2+]Cc2ccccc21)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000579350304 518639391 /nfs/dbraw/zinc/63/93/91/518639391.db2.gz GUNGJVOTDOWDGI-IBGZPJMESA-N 1 0 351.406 2.973 20 5 FFBDRO CCc1ccc(S(=O)(=O)N(C)[C@H]2CC[N@@H+](CC)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000567771054 518702500 /nfs/dbraw/zinc/70/25/00/518702500.db2.gz OCRJMEHEABPQPG-ZFWWWQNUSA-N 1 0 369.487 2.651 20 5 FFBDRO CS[C@H]1CN(c2ncnc3sc([N+](=O)[O-])cc32)C[C@@H]1[NH+]1CCCC1 ZINC000588021571 518704127 /nfs/dbraw/zinc/70/41/27/518704127.db2.gz YGBNZSKIYCKTQP-RYUDHWBXSA-N 1 0 365.484 2.616 20 5 FFBDRO Cc1c(NC(=O)CCN2CCCC[C@@H]2[C@H]2CCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000573670268 518778247 /nfs/dbraw/zinc/77/82/47/518778247.db2.gz PFBSNDUGAYMIPI-SJLPKXTDSA-N 1 0 360.458 2.838 20 5 FFBDRO [NH3+][C@@H]1CCc2ncc(NC(=O)Cc3ccc([N+](=O)[O-])cc3Cl)cc2C1 ZINC000582601252 518831607 /nfs/dbraw/zinc/83/16/07/518831607.db2.gz XQORIIOSNVKJHV-GFCCVEGCSA-N 1 0 360.801 2.640 20 5 FFBDRO CCn1nccc1N1CCC[C@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1=O ZINC000582616339 518840621 /nfs/dbraw/zinc/84/06/21/518840621.db2.gz MOGYQWHVARZNRU-CVEARBPZSA-N 1 0 369.425 2.584 20 5 FFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCn1cc(Br)cn1 ZINC000579852588 518888467 /nfs/dbraw/zinc/88/84/67/518888467.db2.gz QLQMAUKQLXPIRF-ZDUSSCGKSA-N 1 0 351.204 2.831 20 5 FFBDRO C[C@@H]1Oc2cc(F)ccc2[C@@H]1[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000577099465 518913746 /nfs/dbraw/zinc/91/37/46/518913746.db2.gz AFDRWEHWZNQOJR-UCMVZMLTSA-N 1 0 362.357 2.585 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000582807918 518933038 /nfs/dbraw/zinc/93/30/38/518933038.db2.gz MGJINXAHSZODNP-MEDUHNTESA-N 1 0 355.385 2.604 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000579975412 518946752 /nfs/dbraw/zinc/94/67/52/518946752.db2.gz RONFDQIRDXXHJK-OAHLLOKOSA-N 1 0 362.430 2.622 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCN1C(=O)NC2(CCCC2)C1=O ZINC000580023984 518965788 /nfs/dbraw/zinc/96/57/88/518965788.db2.gz XWHMKWQBYOJFGS-AWEZNQCLSA-N 1 0 374.441 2.809 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCN1C(=O)NC2(CCCC2)C1=O ZINC000580023985 518966213 /nfs/dbraw/zinc/96/62/13/518966213.db2.gz XWHMKWQBYOJFGS-CQSZACIVSA-N 1 0 374.441 2.809 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@@H]1CCCOc2ccccc21 ZINC000571198627 518974767 /nfs/dbraw/zinc/97/47/67/518974767.db2.gz SMWGTLAFYKAWRG-GOEBONIOSA-N 1 0 358.394 2.838 20 5 FFBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]C[C@]1(CO)C[C@@H]1c1ccccc1)OCCO2 ZINC000589325091 518981297 /nfs/dbraw/zinc/98/12/97/518981297.db2.gz LDTMJKQUXJJEQW-UZLBHIALSA-N 1 0 370.405 2.622 20 5 FFBDRO CCCC[C@H](C)[C@H](C)[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000565503665 518988197 /nfs/dbraw/zinc/98/81/97/518988197.db2.gz ZPWDTQIENKNBKC-KBPBESRZSA-N 1 0 357.476 2.678 20 5 FFBDRO CCC(CC)[C@@H]1C[C@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000582960711 519009019 /nfs/dbraw/zinc/00/90/19/519009019.db2.gz LAVCSQZFMHCNML-AYBZRNKSSA-N 1 0 366.458 2.908 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000580184048 519047507 /nfs/dbraw/zinc/04/75/07/519047507.db2.gz VBPLNUIAKHGFKQ-AUZPSNTRSA-N 1 0 367.833 2.601 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H](c2ccccc2)[C@@H]2CCCO2)c1 ZINC000580184548 519049162 /nfs/dbraw/zinc/04/91/62/519049162.db2.gz GXHKQOZHNVCVJL-YZGWKJHDSA-N 1 0 372.421 2.844 20 5 FFBDRO C[C@@H]1CCCN(Cc2csc(NC(=O)c3cc([N+](=O)[O-])cn3C)n2)C1 ZINC000589647593 519055238 /nfs/dbraw/zinc/05/52/38/519055238.db2.gz GEVDTBHICLFPOM-LLVKDONJSA-N 1 0 363.443 2.874 20 5 FFBDRO O=[N+]([O-])c1ccc(OCCC[N@H+]2CC[C@@](CO)(c3ccccc3)C2)cc1 ZINC000589749313 519075253 /nfs/dbraw/zinc/07/52/53/519075253.db2.gz HEMUECHEISISIC-HXUWFJFHSA-N 1 0 356.422 3.000 20 5 FFBDRO CC[NH+]1CCN(c2ccc(CNc3c(OC)cccc3[N+](=O)[O-])cn2)CC1 ZINC000574291416 519084531 /nfs/dbraw/zinc/08/45/31/519084531.db2.gz VRHIORFZPRDTFR-UHFFFAOYSA-N 1 0 371.441 2.752 20 5 FFBDRO Cn1nnc2cc(C[NH2+]CCc3c[nH]c4ccc([N+](=O)[O-])cc34)ccc21 ZINC000568557653 519099609 /nfs/dbraw/zinc/09/96/09/519099609.db2.gz VAZJQXQYIJEDJT-UHFFFAOYSA-N 1 0 350.382 2.690 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@@H]2CCC[C@H]2C2CC2)cc1 ZINC000568619405 519132518 /nfs/dbraw/zinc/13/25/18/519132518.db2.gz BPKFQEJHBKKYBR-YOEHRIQHSA-N 1 0 352.456 2.784 20 5 FFBDRO Cc1cc(OCC(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000580466090 519190547 /nfs/dbraw/zinc/19/05/47/519190547.db2.gz KISDDIGRYMOYRC-AWEZNQCLSA-N 1 0 361.442 2.615 20 5 FFBDRO CSCc1cccc(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000574513610 519191594 /nfs/dbraw/zinc/19/15/94/519191594.db2.gz ZDGLNVHWBQSKFK-INIZCTEOSA-N 1 0 362.451 2.987 20 5 FFBDRO COc1cc(Cl)ccc1C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000568740261 519192172 /nfs/dbraw/zinc/19/21/72/519192172.db2.gz DJKRAZQYKYBEEF-AWEZNQCLSA-N 1 0 366.801 2.786 20 5 FFBDRO Cc1ccc(OC[C@@H](O)C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)c(C)c1 ZINC000571672149 519213732 /nfs/dbraw/zinc/21/37/32/519213732.db2.gz SVWAWKWJOFIWSJ-HNNXBMFYSA-N 1 0 370.409 2.617 20 5 FFBDRO Cc1cccc(-c2cccc(C[NH2+]C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)c2)c1 ZINC000577722701 519222709 /nfs/dbraw/zinc/22/27/09/519222709.db2.gz WZMIJMFRJFGMRG-HXUWFJFHSA-N 1 0 366.421 2.917 20 5 FFBDRO C[N@@H+]1C[C@H]2CCN(C(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])[C@H]2C1 ZINC000590446471 519235457 /nfs/dbraw/zinc/23/54/57/519235457.db2.gz VOBVPFYNTLEUHX-MFKMUULPSA-N 1 0 355.847 2.503 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N3CC[C@@H]4C[N@H+](C)C[C@H]43)cc2[N+](=O)[O-])C1 ZINC000590447600 519235479 /nfs/dbraw/zinc/23/54/79/519235479.db2.gz ZLQTZWLYMKXIPQ-IDHHARJASA-N 1 0 372.469 2.607 20 5 FFBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)NC3CC([NH+](C)C)C3)cc2[N+](=O)[O-])C1 ZINC000590542026 519260421 /nfs/dbraw/zinc/26/04/21/519260421.db2.gz XDBFZBSXCABKHG-CBHXASLJSA-N 1 0 374.485 2.900 20 5 FFBDRO CC(C)c1ccc(C(=O)N2CCOC[C@@H]2[C@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000590566390 519268129 /nfs/dbraw/zinc/26/81/29/519268129.db2.gz ZRKUXBIHXYTAME-SJLPKXTDSA-N 1 0 361.442 2.653 20 5 FFBDRO Cc1cccc2c(CC[NH2+]C[C@@H](O)COc3cccc([N+](=O)[O-])c3)c[nH]c21 ZINC000583494855 519279037 /nfs/dbraw/zinc/27/90/37/519279037.db2.gz HQXJTEWYDKZDKF-QGZVFWFLSA-N 1 0 369.421 2.957 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)c1 ZINC000590656889 519303784 /nfs/dbraw/zinc/30/37/84/519303784.db2.gz FSEXDIZUDBNOHP-NXHRZFHOSA-N 1 0 362.426 2.897 20 5 FFBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)cc2[N+](=O)[O-])C1 ZINC000590663628 519307585 /nfs/dbraw/zinc/30/75/85/519307585.db2.gz YMDUFNFTCBSXOS-DZASIIFFSA-N 1 0 372.469 2.511 20 5 FFBDRO Cc1cc(N2CC[C@@]3(C2)CCC[NH2+]C3)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000583555343 519308529 /nfs/dbraw/zinc/30/85/29/519308529.db2.gz XDZLLNIUBOLRHN-IBGZPJMESA-N 1 0 353.426 2.940 20 5 FFBDRO CC(C)[C@@H](C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000566129108 519318845 /nfs/dbraw/zinc/31/88/45/519318845.db2.gz WJEIHVQWQBBYRL-DLBZAZTESA-N 1 0 366.849 2.835 20 5 FFBDRO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@@H+](C[C@@H]4CCCC[C@@H]4O)CC3)nc2c1 ZINC000577956281 519340749 /nfs/dbraw/zinc/34/07/49/519340749.db2.gz XOJBFEKOJQWGHE-KSSFIOAISA-N 1 0 373.457 2.534 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]2)c1C ZINC000578056171 519394430 /nfs/dbraw/zinc/39/44/30/519394430.db2.gz YLXZHLLBPSMSSK-CABCVRRESA-N 1 0 367.471 2.507 20 5 FFBDRO Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000580875734 519402265 /nfs/dbraw/zinc/40/22/65/519402265.db2.gz SULYIYMZOXMSRL-UHFFFAOYSA-N 1 0 358.446 2.701 20 5 FFBDRO C[N@H+](Cc1ccccc1)C1(CNC(=O)c2ccc([N+](=O)[O-])cn2)CCC1 ZINC000580993724 519465563 /nfs/dbraw/zinc/46/55/63/519465563.db2.gz FOOQNMFPDSJAHZ-UHFFFAOYSA-N 1 0 354.410 2.774 20 5 FFBDRO O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000578349611 519548717 /nfs/dbraw/zinc/54/87/17/519548717.db2.gz IFPUMKQFBASMNM-GOSISDBHSA-N 1 0 372.450 2.934 20 5 FFBDRO Cc1ccccc1C1(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000584048056 519566071 /nfs/dbraw/zinc/56/60/71/519566071.db2.gz BLRDKLNVTXYANK-UHFFFAOYSA-N 1 0 374.462 2.998 20 5 FFBDRO C[C@H]1CC[N@H+](CCNC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])C1 ZINC000575319371 519587069 /nfs/dbraw/zinc/58/70/69/519587069.db2.gz FAHPZVCIWBCMPS-AWEZNQCLSA-N 1 0 354.410 2.728 20 5 FFBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000591353336 519605502 /nfs/dbraw/zinc/60/55/02/519605502.db2.gz WLMCFKKFJMXYNA-DLBZAZTESA-N 1 0 360.458 2.559 20 5 FFBDRO Cc1c(CNC(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000591357060 519607927 /nfs/dbraw/zinc/60/79/27/519607927.db2.gz OZAFBQYCRGMTQJ-SJORKVTESA-N 1 0 360.458 2.824 20 5 FFBDRO CCc1ccccc1[C@H]([NH3+])CNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000591361036 519608915 /nfs/dbraw/zinc/60/89/15/519608915.db2.gz XYTCIYGBEYXANX-GOSISDBHSA-N 1 0 368.437 2.925 20 5 FFBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+][C@H]2CCSC2)c1 ZINC000566709278 519619184 /nfs/dbraw/zinc/61/91/84/519619184.db2.gz ZMFDPDCPXDDDAO-JTQLQIEISA-N 1 0 364.208 2.795 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c1C ZINC000594484040 519992117 /nfs/dbraw/zinc/99/21/17/519992117.db2.gz QERPHDQMDQERJK-CABCVRRESA-N 1 0 367.471 2.507 20 5 FFBDRO CC[C@@H]([NH2+]Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)[C@@H]1CCCCO1 ZINC000594519457 520011349 /nfs/dbraw/zinc/01/13/49/520011349.db2.gz KUSSKLBYOYQRLP-ZBFHGGJFSA-N 1 0 366.414 2.584 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C[C@H]1CCc2ccccc2C1 ZINC000591741850 520019318 /nfs/dbraw/zinc/01/93/18/520019318.db2.gz XDMQDHRJHDLVKZ-YJBOKZPZSA-N 1 0 356.422 2.729 20 5 FFBDRO CC(C)OC1CCC([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000591757081 520025402 /nfs/dbraw/zinc/02/54/02/520025402.db2.gz XPNRRVLGWLMYMI-ARWYELJZSA-N 1 0 352.431 2.660 20 5 FFBDRO CCOc1ccc(OC[C@H](O)C[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000591763452 520028850 /nfs/dbraw/zinc/02/88/50/520028850.db2.gz HDUWFCRVUZHDDM-MRXNPFEDSA-N 1 0 360.410 2.831 20 5 FFBDRO O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CC[NH2+]C2(CCCCC2)C1 ZINC000594628953 520061325 /nfs/dbraw/zinc/06/13/25/520061325.db2.gz RJIRGGARVCVPQP-UHFFFAOYSA-N 1 0 369.425 2.529 20 5 FFBDRO O=C1[C@@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000608837050 520140608 /nfs/dbraw/zinc/14/06/08/520140608.db2.gz MQJAPQWXWPWAFN-TWVNLXSWSA-N 1 0 351.406 2.999 20 5 FFBDRO Cc1cc(S(=O)(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)c(C)cc1[N+](=O)[O-] ZINC000594787691 520158695 /nfs/dbraw/zinc/15/86/95/520158695.db2.gz CDPHQBBYBHOESV-CQSZACIVSA-N 1 0 369.487 2.610 20 5 FFBDRO O=[N+]([O-])c1cnccc1Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000608974605 520172376 /nfs/dbraw/zinc/17/23/76/520172376.db2.gz OQCXWJATHZRCES-UHFFFAOYSA-N 1 0 353.426 2.687 20 5 FFBDRO CCC[NH+](CCC)CCCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000609073435 520185449 /nfs/dbraw/zinc/18/54/49/520185449.db2.gz PGJWMDDPQWCVKF-UHFFFAOYSA-N 1 0 365.430 2.608 20 5 FFBDRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)C2 ZINC000597711916 520192121 /nfs/dbraw/zinc/19/21/21/520192121.db2.gz XMOFMDGRZANGEL-KRWDZBQOSA-N 1 0 369.368 2.754 20 5 FFBDRO C[NH+](C)CCOc1ccc(CCNC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000609182129 520222029 /nfs/dbraw/zinc/22/20/29/520222029.db2.gz AVUPVINAWTVRSU-UHFFFAOYSA-N 1 0 357.410 2.508 20 5 FFBDRO CC(C)[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000592154451 520231838 /nfs/dbraw/zinc/23/18/38/520231838.db2.gz RQJULCSYXGEFBE-GOSISDBHSA-N 1 0 357.458 2.776 20 5 FFBDRO C[C@@H]1COCC[N@@H+]1C1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000603399553 520248362 /nfs/dbraw/zinc/24/83/62/520248362.db2.gz CFJUYGBSCBMMCP-GFCCVEGCSA-N 1 0 371.384 2.886 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC(C)(C)[C@@]1(O)CCCOC1 ZINC000594996539 520249892 /nfs/dbraw/zinc/24/98/92/520249892.db2.gz OZQLDXIKDQXEFG-GOSISDBHSA-N 1 0 352.431 2.651 20 5 FFBDRO CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000592183116 520250082 /nfs/dbraw/zinc/25/00/82/520250082.db2.gz CYFWGPRXDQOUMT-IAQYHMDHSA-N 1 0 359.348 2.965 20 5 FFBDRO C[C@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000595001972 520251491 /nfs/dbraw/zinc/25/14/91/520251491.db2.gz YTHFWWWBNYJZRM-DYVFJYSZSA-N 1 0 358.394 2.620 20 5 FFBDRO O=[N+]([O-])c1cc2c(nc1NC1CC[NH+](C3CCOCC3)CC1)CCCC2 ZINC000603409530 520253485 /nfs/dbraw/zinc/25/34/85/520253485.db2.gz ZMCZCNWIEGZAQW-UHFFFAOYSA-N 1 0 360.458 2.924 20 5 FFBDRO COc1cccc(C(=O)NCC[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)c1 ZINC000595011209 520254934 /nfs/dbraw/zinc/25/49/34/520254934.db2.gz BSNFWHBUTRZOJB-ZDUSSCGKSA-N 1 0 373.409 2.693 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C1CCN(c2cc(C)[nH]n2)CC1 ZINC000595043383 520266704 /nfs/dbraw/zinc/26/67/04/520266704.db2.gz XAUGMKFNEODRPE-ZDUSSCGKSA-N 1 0 359.430 2.955 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CCO[C@@H](c2ccnn2C)C1 ZINC000595051834 520270621 /nfs/dbraw/zinc/27/06/21/520270621.db2.gz OSKVDYQBJCTULI-ZJNRKIDTSA-N 1 0 360.414 2.908 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCO[C@H](c2ccnn2C)C1 ZINC000595051831 520270778 /nfs/dbraw/zinc/27/07/78/520270778.db2.gz OSKVDYQBJCTULI-JCGVRSQUSA-N 1 0 360.414 2.908 20 5 FFBDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000609358853 520294855 /nfs/dbraw/zinc/29/48/55/520294855.db2.gz GBPRTJXAGSWZHM-HUUCEWRRSA-N 1 0 363.462 2.569 20 5 FFBDRO CCOc1ccc([C@H](C)[NH2+]CC2(S(=O)(=O)CC)CC2)cc1[N+](=O)[O-] ZINC000595105151 520296113 /nfs/dbraw/zinc/29/61/13/520296113.db2.gz QPEFGKKYWYCJIR-LBPRGKRZSA-N 1 0 356.444 2.611 20 5 FFBDRO O=C(COc1cccc([N+](=O)[O-])c1)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000603567784 520309150 /nfs/dbraw/zinc/30/91/50/520309150.db2.gz OHWAXJGQNDODJI-IBGZPJMESA-N 1 0 369.421 2.927 20 5 FFBDRO C[NH+](C)CCOc1ccc(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)cc1 ZINC000609442295 520313103 /nfs/dbraw/zinc/31/31/03/520313103.db2.gz WFAKDFCKSWPRQA-UHFFFAOYSA-N 1 0 361.373 2.604 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000597922685 520324257 /nfs/dbraw/zinc/32/42/57/520324257.db2.gz KVKHNSIHLGBGKR-JTQLQIEISA-N 1 0 370.247 2.960 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000597922680 520324399 /nfs/dbraw/zinc/32/43/99/520324399.db2.gz KPVMRDWWAAAJRN-SNVBAGLBSA-N 1 0 357.357 2.799 20 5 FFBDRO CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Br)CC[C@H]1[NH3+] ZINC000592331812 520339607 /nfs/dbraw/zinc/33/96/07/520339607.db2.gz ADDKDFQZGUWMGN-NOZJJQNGSA-N 1 0 356.220 2.557 20 5 FFBDRO CCN(C(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CC[N@H+](C)C1 ZINC000597945577 520344077 /nfs/dbraw/zinc/34/40/77/520344077.db2.gz ITDLLUNPUSVAKO-AAEUAGOBSA-N 1 0 355.822 2.568 20 5 FFBDRO C[N@@H+]1CCCC[C@H]1C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000609546638 520353184 /nfs/dbraw/zinc/35/31/84/520353184.db2.gz GPLPPBLIXZTAFC-ZDUSSCGKSA-N 1 0 374.363 2.626 20 5 FFBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000595225272 520359664 /nfs/dbraw/zinc/35/96/64/520359664.db2.gz LYJKKSMPMSOUQZ-VQIMIIECSA-N 1 0 370.453 2.930 20 5 FFBDRO COc1cc(C(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)cc([N+](=O)[O-])c1C ZINC000595226137 520361092 /nfs/dbraw/zinc/36/10/92/520361092.db2.gz QGOPXGUEBIPPMH-HOCLYGCPSA-N 1 0 361.442 2.906 20 5 FFBDRO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)CC(=O)NCc1cccs1 ZINC000609577949 520364193 /nfs/dbraw/zinc/36/41/93/520364193.db2.gz HHXQHXZCBYYVGP-UHFFFAOYSA-N 1 0 363.439 2.673 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000595257000 520374475 /nfs/dbraw/zinc/37/44/75/520374475.db2.gz ZUCJFDWUDATOLZ-NVXWUHKLSA-N 1 0 373.384 2.618 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCCN(c3ccccc3)CC2)c1 ZINC000603844639 520374750 /nfs/dbraw/zinc/37/47/50/520374750.db2.gz WFKGBVQTTWDKGO-IBGZPJMESA-N 1 0 371.437 2.547 20 5 FFBDRO COc1cc(C(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)cc([N+](=O)[O-])c1C ZINC000595258680 520375950 /nfs/dbraw/zinc/37/59/50/520375950.db2.gz VZKQFONWIFLODY-SFHVURJKSA-N 1 0 371.393 2.825 20 5 FFBDRO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2Cc2ccc(F)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000595294923 520392715 /nfs/dbraw/zinc/39/27/15/520392715.db2.gz UPZMZDSDCGQORJ-VBQJREDUSA-N 1 0 351.422 2.808 20 5 FFBDRO C[C@@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(C2CC(C)(C)[NH2+]C(C)(C)C2)C1=O ZINC000600686225 520396721 /nfs/dbraw/zinc/39/67/21/520396721.db2.gz XHBZSAXYVDCPCC-IBGZPJMESA-N 1 0 374.441 2.671 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000609664005 520399036 /nfs/dbraw/zinc/39/90/36/520399036.db2.gz DZYSQXVVYSDBJZ-UHFFFAOYSA-N 1 0 361.373 2.734 20 5 FFBDRO Cc1cc(S(=O)(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000609673406 520403613 /nfs/dbraw/zinc/40/36/13/520403613.db2.gz GVPOVVXVGKLYMF-KBPBESRZSA-N 1 0 369.487 2.550 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000617353047 520449986 /nfs/dbraw/zinc/44/99/86/520449986.db2.gz MYHLSYZSOBWGQL-KRWDZBQOSA-N 1 0 369.421 2.950 20 5 FFBDRO C[C@H](c1ccccc1)[C@@H](CO)[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000613389604 520479349 /nfs/dbraw/zinc/47/93/49/520479349.db2.gz ORDOHZGWUZTHOO-CXAGYDPISA-N 1 0 368.393 2.899 20 5 FFBDRO C[C@H](c1ccccc1)[C@H](CO)[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000613390165 520481468 /nfs/dbraw/zinc/48/14/68/520481468.db2.gz ZMCICEADUJPEBX-DYVFJYSZSA-N 1 0 368.393 2.899 20 5 FFBDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000598261413 520524836 /nfs/dbraw/zinc/52/48/36/520524836.db2.gz FFLOQQKCXAPKAV-HNNXBMFYSA-N 1 0 371.441 2.631 20 5 FFBDRO CC(C)(C)OC(=O)CC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000595541460 520539250 /nfs/dbraw/zinc/53/92/50/520539250.db2.gz ZBRRTLIUHXTHBK-UHFFFAOYSA-N 1 0 350.415 2.965 20 5 FFBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000595572625 520562302 /nfs/dbraw/zinc/56/23/02/520562302.db2.gz FUISRAWVLCYVME-INIZCTEOSA-N 1 0 360.458 2.844 20 5 FFBDRO Cc1c(C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000610180404 520570809 /nfs/dbraw/zinc/57/08/09/520570809.db2.gz HXRNCKKROFAJRB-UHFFFAOYSA-N 1 0 353.422 2.732 20 5 FFBDRO Cn1ccnc1C(=O)c1ccc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000604473158 520571505 /nfs/dbraw/zinc/57/15/05/520571505.db2.gz ONDMLVHQYFYVCL-HUUCEWRRSA-N 1 0 369.425 2.598 20 5 FFBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 ZINC000610197836 520574617 /nfs/dbraw/zinc/57/46/17/520574617.db2.gz ANNYGBSWXJOTBI-CQSZACIVSA-N 1 0 365.430 2.606 20 5 FFBDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000610310603 520630959 /nfs/dbraw/zinc/63/09/59/520630959.db2.gz KTIMYSWOZQLUBT-MRXNPFEDSA-N 1 0 356.426 2.527 20 5 FFBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@@]2(Cc3ccc(Cl)cc3)CCCOC2)n1 ZINC000595670727 520636157 /nfs/dbraw/zinc/63/61/57/520636157.db2.gz KQFLYPAURFSVGH-QGZVFWFLSA-N 1 0 364.833 2.826 20 5 FFBDRO COC1CC[NH+](C2(CNc3ncc(F)cc3[N+](=O)[O-])CCCC2)CC1 ZINC000601114951 520643287 /nfs/dbraw/zinc/64/32/87/520643287.db2.gz BXZWWDRQFVIAFA-UHFFFAOYSA-N 1 0 352.410 2.964 20 5 FFBDRO CC(C)n1c(Sc2ncc(F)cc2[N+](=O)[O-])nnc1C1CC[NH2+]CC1 ZINC000601117946 520644925 /nfs/dbraw/zinc/64/49/25/520644925.db2.gz BERVINHIXBZWCR-UHFFFAOYSA-N 1 0 366.422 2.920 20 5 FFBDRO CCCC[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](C)c1ccc(C)o1 ZINC000610368244 520653603 /nfs/dbraw/zinc/65/36/03/520653603.db2.gz PYDQZVDCNOYKHN-GOEBONIOSA-N 1 0 350.419 2.917 20 5 FFBDRO C[C@H]1CN(c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)CC[N@@H+](C2CCC2)C1 ZINC000601167846 520671215 /nfs/dbraw/zinc/67/12/15/520671215.db2.gz GPPQLOCTCSSQOV-SNVBAGLBSA-N 1 0 361.368 2.658 20 5 FFBDRO Cc1cc(NC[C@H](n2cncn2)C(F)(F)F)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000601219264 520692799 /nfs/dbraw/zinc/69/27/99/520692799.db2.gz FVCXQIPTVLCBQN-AWEZNQCLSA-N 1 0 366.303 2.680 20 5 FFBDRO Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)cn1 ZINC000595773413 520715161 /nfs/dbraw/zinc/71/51/61/520715161.db2.gz WSUMKQBMMGSGTG-YJBOKZPZSA-N 1 0 371.441 2.658 20 5 FFBDRO COC(=O)c1ccnc(N2CCC[C@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)c1[N+](=O)[O-] ZINC000598589287 520729521 /nfs/dbraw/zinc/72/95/21/520729521.db2.gz HQCRZAVVTBZFKD-MJBXVCDLSA-N 1 0 362.430 2.618 20 5 FFBDRO COC(=O)c1ccnc(N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000598589926 520730103 /nfs/dbraw/zinc/73/01/03/520730103.db2.gz VQQZAWLRSGNCNR-XQQFMLRXSA-N 1 0 350.419 2.555 20 5 FFBDRO C[N@@H+]1CCN(CCOc2ccc([N+](=O)[O-])cc2)[C@H](Cc2ccccc2)C1 ZINC000593088513 520734808 /nfs/dbraw/zinc/73/48/08/520734808.db2.gz FYYVUUUFBKWYCT-LJQANCHMSA-N 1 0 355.438 2.832 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000601355136 520751824 /nfs/dbraw/zinc/75/18/24/520751824.db2.gz KNLQFJJKOPTKFR-STQMWFEESA-N 1 0 373.450 2.536 20 5 FFBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1cc(C2CC[NH2+]CC2)no1 ZINC000595925911 520828381 /nfs/dbraw/zinc/82/83/81/520828381.db2.gz YBQNEKCQZTXNSX-UHFFFAOYSA-N 1 0 372.425 2.803 20 5 FFBDRO O=C(N1CC[C@H](N2CCC2)[C@H](F)C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601537542 520832071 /nfs/dbraw/zinc/83/20/71/520832071.db2.gz FOCMONVYCUGQFX-SJORKVTESA-N 1 0 361.417 2.661 20 5 FFBDRO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000601540287 520832413 /nfs/dbraw/zinc/83/24/13/520832413.db2.gz GYBKZUZGQYBSKD-OAHLLOKOSA-N 1 0 357.385 2.986 20 5 FFBDRO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000601555161 520838265 /nfs/dbraw/zinc/83/82/65/520838265.db2.gz WRAOXDLHDGKMQU-YGRLFVJLSA-N 1 0 368.231 2.571 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc1SC ZINC000601557274 520839764 /nfs/dbraw/zinc/83/97/64/520839764.db2.gz NIEXLFQVMUVALA-YPMHNXCESA-N 1 0 365.455 2.539 20 5 FFBDRO C[NH2+]C[C@@H](C)NC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000595983595 520844705 /nfs/dbraw/zinc/84/47/05/520844705.db2.gz PSQJKZSHFVUSCQ-OLZOCXBDSA-N 1 0 357.414 2.501 20 5 FFBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000593240449 520849932 /nfs/dbraw/zinc/84/99/32/520849932.db2.gz HRGZFYZRBAVSOE-CYBMUJFWSA-N 1 0 364.833 2.662 20 5 FFBDRO CN(CCC[N@H+](C)Cc1ccncc1)C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601581386 520850177 /nfs/dbraw/zinc/85/01/77/520850177.db2.gz HSLDGRALFZSJDJ-UHFFFAOYSA-N 1 0 360.389 2.723 20 5 FFBDRO CC1([NH+]2CCCC2)CCN(C(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000601582300 520850776 /nfs/dbraw/zinc/85/07/76/520850776.db2.gz OTSAZNQLCUZDQM-UHFFFAOYSA-N 1 0 360.458 2.797 20 5 FFBDRO C[NH2+]Cc1ccccc1CN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000593321286 520907937 /nfs/dbraw/zinc/90/79/37/520907937.db2.gz HQJFXRFWABAFGL-IBGZPJMESA-N 1 0 365.437 2.927 20 5 FFBDRO Cc1cc(N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)c([N+](=O)[O-])s1 ZINC000596097260 520909815 /nfs/dbraw/zinc/90/98/15/520909815.db2.gz DFFXGOJTQPFVOF-ZIAGYGMSSA-N 1 0 352.504 2.960 20 5 FFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000598914460 520915481 /nfs/dbraw/zinc/91/54/81/520915481.db2.gz FLYONYQVTFJYCQ-CYBMUJFWSA-N 1 0 350.394 2.977 20 5 FFBDRO CC[NH+](CC)CC1CCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000593434229 520990474 /nfs/dbraw/zinc/99/04/74/520990474.db2.gz SAUHJCPPJFDNGZ-UHFFFAOYSA-N 1 0 351.422 2.857 20 5 FFBDRO COC(=O)c1c(Cl)c(N(C)[C@H]2CC[N@@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000596266055 521000577 /nfs/dbraw/zinc/00/05/77/521000577.db2.gz MZBGJTGFCUUMJY-NSHDSACASA-N 1 0 355.822 2.954 20 5 FFBDRO COC(=O)c1c(Cl)c(N(C)[C@@H]2CC[N@@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000596266053 521000686 /nfs/dbraw/zinc/00/06/86/521000686.db2.gz MZBGJTGFCUUMJY-LLVKDONJSA-N 1 0 355.822 2.954 20 5 FFBDRO C[C@@H]1CN(c2ccc3cnccc3c2[N+](=O)[O-])CC[C@H]1[NH+]1CCN(C)CC1 ZINC000599064215 521009132 /nfs/dbraw/zinc/00/91/32/521009132.db2.gz LDCUISGQIHRWAT-CRAIPNDOSA-N 1 0 369.469 2.605 20 5 FFBDRO C[C@@H]([NH2+]C[C@@H]1CN(Cc2ccncc2)CCO1)c1ccc([N+](=O)[O-])cc1 ZINC000599086919 521024871 /nfs/dbraw/zinc/02/48/71/521024871.db2.gz BHVQBGCWAGWBFL-DNVCBOLYSA-N 1 0 356.426 2.541 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H]1CN(Cc2ccncc2)CCO1 ZINC000599089062 521026561 /nfs/dbraw/zinc/02/65/61/521026561.db2.gz WWQQWYJHILNOBC-APWZRJJASA-N 1 0 370.453 2.850 20 5 FFBDRO O=C(N[C@@H](C[NH+]1CCCCC1)c1ccccc1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000618377314 521040374 /nfs/dbraw/zinc/04/03/74/521040374.db2.gz HXLWVJUZBQXAMQ-INIZCTEOSA-N 1 0 370.409 2.652 20 5 FFBDRO CC1([NH+]2CCOCC2)CCN(c2ccnc3cc([N+](=O)[O-])ccc32)CC1 ZINC000599160660 521062504 /nfs/dbraw/zinc/06/25/04/521062504.db2.gz QNOCZLDSLTUKOQ-UHFFFAOYSA-N 1 0 356.426 2.834 20 5 FFBDRO CC1([NH+]2CCOCC2)CCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000599160626 521063042 /nfs/dbraw/zinc/06/30/42/521063042.db2.gz PFXFZCAVKYCXMA-UHFFFAOYSA-N 1 0 374.363 2.700 20 5 FFBDRO O=[N+]([O-])c1ccccc1-c1ccc(CN2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)o1 ZINC000611268458 521068489 /nfs/dbraw/zinc/06/84/89/521068489.db2.gz SMDDSUQCQJTICH-MOPGFXCFSA-N 1 0 371.437 2.886 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ccc(CN3CC[NH+]([C@H]4CCC[C@@H]4O)CC3)o2)cc1 ZINC000611268382 521069022 /nfs/dbraw/zinc/06/90/22/521069022.db2.gz DBSUJMUYCVDXHA-OALUTQOASA-N 1 0 371.437 2.886 20 5 FFBDRO CC(C)(CO)[NH+]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000611272218 521069786 /nfs/dbraw/zinc/06/97/86/521069786.db2.gz KRFYQWAUYQRARA-UHFFFAOYSA-N 1 0 359.426 2.743 20 5 FFBDRO CC(C)c1ccc(CN2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cc1[N+](=O)[O-] ZINC000611270998 521070484 /nfs/dbraw/zinc/07/04/84/521070484.db2.gz YYBHFCAGPFLOJH-GOSISDBHSA-N 1 0 360.502 2.930 20 5 FFBDRO C[C@H]([NH2+]CCc1nnnn1C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000611327862 521101290 /nfs/dbraw/zinc/10/12/90/521101290.db2.gz XYCGHRFKVNLGOK-NSHDSACASA-N 1 0 358.427 2.740 20 5 FFBDRO C[N@H+](CCN1CCN(c2sccc2[N+](=O)[O-])CC1)Cc1ccccc1 ZINC000611413255 521143646 /nfs/dbraw/zinc/14/36/46/521143646.db2.gz ZDMGFGJABRPXJB-UHFFFAOYSA-N 1 0 360.483 2.910 20 5 FFBDRO O=C(NCCC1CC[NH2+]CC1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000593720369 521175513 /nfs/dbraw/zinc/17/55/13/521175513.db2.gz KGFSFPANJDPYAC-QGZVFWFLSA-N 1 0 360.458 2.874 20 5 FFBDRO CCc1ccc([C@@H]([NH2+]CC[C@]2(O)CCOC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000593723211 521176500 /nfs/dbraw/zinc/17/65/00/521176500.db2.gz SMXWBEFVXAXILB-OALUTQOASA-N 1 0 360.410 2.971 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000599391706 521192992 /nfs/dbraw/zinc/19/29/92/521192992.db2.gz QLYKBTLAIQAZMQ-OAHLLOKOSA-N 1 0 367.471 2.589 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H](OC(F)F)C1 ZINC000611578666 521231918 /nfs/dbraw/zinc/23/19/18/521231918.db2.gz QXULITQCXLQXFH-CYBMUJFWSA-N 1 0 357.357 2.935 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)c1C ZINC000599464245 521240737 /nfs/dbraw/zinc/24/07/37/521240737.db2.gz KRSUZHRUQGFWQH-OAHLLOKOSA-N 1 0 367.471 2.507 20 5 FFBDRO Cc1ccc(S(=O)(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)c(C)c1[N+](=O)[O-] ZINC000599464169 521240983 /nfs/dbraw/zinc/24/09/83/521240983.db2.gz JQPMYYDJDXKWRE-HNNXBMFYSA-N 1 0 367.471 2.507 20 5 FFBDRO COCCC1CC[NH+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1 ZINC000599506368 521264266 /nfs/dbraw/zinc/26/42/66/521264266.db2.gz JEYKHASJKKUDOS-UHFFFAOYSA-N 1 0 363.414 2.641 20 5 FFBDRO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000593912464 521287224 /nfs/dbraw/zinc/28/72/24/521287224.db2.gz OKIUGGFQFXHHQX-SJCJKPOMSA-N 1 0 367.833 2.605 20 5 FFBDRO C[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)[C@@H]1CC[NH3+] ZINC000593914208 521289184 /nfs/dbraw/zinc/28/91/84/521289184.db2.gz AVBKVOYWLZYDOU-IINYFYTJSA-N 1 0 370.247 2.947 20 5 FFBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NCCC1CC[NH2+]CC1 ZINC000593919462 521292267 /nfs/dbraw/zinc/29/22/67/521292267.db2.gz SHFINXYSCFQLLW-UHFFFAOYSA-N 1 0 355.822 2.523 20 5 FFBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H](C)[C@H]2CC[NH3+])cc1OC ZINC000593934958 521300423 /nfs/dbraw/zinc/30/04/23/521300423.db2.gz UVVCHOFUSNYDRM-GXTWGEPZSA-N 1 0 365.430 2.592 20 5 FFBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CCc3noc4ccccc34)C2)nc1 ZINC000593966976 521320546 /nfs/dbraw/zinc/32/05/46/521320546.db2.gz XCJOUNATJHMSTD-ZDUSSCGKSA-N 1 0 353.382 2.860 20 5 FFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CCc3noc4ccccc34)C2)nc1 ZINC000593966975 521320603 /nfs/dbraw/zinc/32/06/03/521320603.db2.gz XCJOUNATJHMSTD-CYBMUJFWSA-N 1 0 353.382 2.860 20 5 FFBDRO CC1(C)C(=O)N[C@H]1C1CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000593993372 521334950 /nfs/dbraw/zinc/33/49/50/521334950.db2.gz OJPRUKRWKRUBCA-KRWDZBQOSA-N 1 0 361.442 2.600 20 5 FFBDRO C[C@H]([NH2+][C@@H]1[C@H](C)O[C@@H](C)[C@H]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000599626595 521340332 /nfs/dbraw/zinc/34/03/32/521340332.db2.gz SELWJZLVLKWAAY-YQEZVOHVSA-N 1 0 355.822 2.977 20 5 FFBDRO CCOc1cc(C[NH2+][C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)ccc1[N+](=O)[O-] ZINC000599629003 521343513 /nfs/dbraw/zinc/34/35/13/521343513.db2.gz DQINSTWMBKEGJP-KDOFPFPSSA-N 1 0 359.382 2.714 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCc2c(O)cccc2C1 ZINC000599647460 521355857 /nfs/dbraw/zinc/35/58/57/521355857.db2.gz OYWFPCDALUQIGC-UHFFFAOYSA-N 1 0 355.394 2.996 20 5 FFBDRO CCC1([NH+]2CCOCC2)CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000599668517 521380981 /nfs/dbraw/zinc/38/09/81/521380981.db2.gz GRSQPNDVQAVOFK-UHFFFAOYSA-N 1 0 351.422 2.811 20 5 FFBDRO COc1cccc(C[C@H]([NH3+])C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000602500968 521381926 /nfs/dbraw/zinc/38/19/26/521381926.db2.gz ROWHFHMRHHEKBH-IBGZPJMESA-N 1 0 369.421 2.664 20 5 FFBDRO Cc1ccc([C@@H](C[NH2+]CCc2ccc([N+](=O)[O-])cc2)N2CCOCC2)o1 ZINC000602501543 521382345 /nfs/dbraw/zinc/38/23/45/521382345.db2.gz IDEOLHAKAJCRDM-GOSISDBHSA-N 1 0 359.426 2.702 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]Cc3ccc4c(c3)OCCO4)CC2)cn1 ZINC000602506027 521383992 /nfs/dbraw/zinc/38/39/92/521383992.db2.gz ZRMGLNYUOLCQLB-UHFFFAOYSA-N 1 0 370.409 2.520 20 5 FFBDRO C[C@H]1CN(C(C)(C)C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H](C)O1 ZINC000602508155 521385571 /nfs/dbraw/zinc/38/55/71/521385571.db2.gz UDGYVAPKBNBALC-STQMWFEESA-N 1 0 362.430 2.713 20 5 FFBDRO CN(C)C1(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCCCC1 ZINC000602511115 521385637 /nfs/dbraw/zinc/38/56/37/521385637.db2.gz SGFZUTJPIUYSSL-UHFFFAOYSA-N 1 0 361.490 2.813 20 5 FFBDRO CCc1nc(CC[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cs1 ZINC000602526268 521394043 /nfs/dbraw/zinc/39/40/43/521394043.db2.gz GTBVPYNSFPHGMA-UHFFFAOYSA-N 1 0 361.471 2.810 20 5 FFBDRO O=[N+]([O-])c1sc(C[NH2+]CCOC[C@H]2CCCO2)cc1Br ZINC000602544891 521404661 /nfs/dbraw/zinc/40/46/61/521404661.db2.gz BGLJYQZRFSGEBI-SECBINFHSA-N 1 0 365.249 2.704 20 5 FFBDRO Cc1ccsc1[C@@H](CO)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602563469 521413731 /nfs/dbraw/zinc/41/37/31/521413731.db2.gz LVSFSZJUYLMVAT-OAHLLOKOSA-N 1 0 362.455 2.652 20 5 FFBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)NCc1cccc2c1CC[NH2+]C2 ZINC000602584529 521425211 /nfs/dbraw/zinc/42/52/11/521425211.db2.gz DWGVSQPIYOIJTL-UHFFFAOYSA-N 1 0 368.437 2.749 20 5 FFBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000602598388 521431756 /nfs/dbraw/zinc/43/17/56/521431756.db2.gz INIAPAGYANOPNF-MGCOHNPYSA-N 1 0 356.220 2.605 20 5 FFBDRO CCS(=O)(=O)c1ccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)s1 ZINC000602653008 521458663 /nfs/dbraw/zinc/45/86/63/521458663.db2.gz YHHNVRKYNIDBFP-UHFFFAOYSA-N 1 0 354.453 2.782 20 5 FFBDRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000594199237 521465413 /nfs/dbraw/zinc/46/54/13/521465413.db2.gz IGRAZEJQHLSKPD-ZWKOTPCHSA-N 1 0 369.425 2.527 20 5 FFBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2ccncc2OC[C@@H]2CCOC2)cc1 ZINC000602661670 521465955 /nfs/dbraw/zinc/46/59/55/521465955.db2.gz HRQSPQNPWCIQDR-MRXNPFEDSA-N 1 0 357.410 2.737 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3COc4ccc(F)cc4C3)CC2)cn1 ZINC000602671693 521471923 /nfs/dbraw/zinc/47/19/23/521471923.db2.gz UGKLLMFARQMHDM-MRXNPFEDSA-N 1 0 372.400 2.691 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3COc4ccc(F)cc4C3)CC2)cn1 ZINC000602671692 521473170 /nfs/dbraw/zinc/47/31/70/521473170.db2.gz UGKLLMFARQMHDM-INIZCTEOSA-N 1 0 372.400 2.691 20 5 FFBDRO C[C@H](O)[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccccc1F ZINC000602697831 521483280 /nfs/dbraw/zinc/48/32/80/521483280.db2.gz IVYYXQFGYSJPFQ-ORAYPTAESA-N 1 0 374.416 2.809 20 5 FFBDRO COC[C@@H](CC(C)(C)C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602706323 521487228 /nfs/dbraw/zinc/48/72/28/521487228.db2.gz PUWZCUGEXXEXKS-OAHLLOKOSA-N 1 0 350.463 2.999 20 5 FFBDRO Cc1cccc2c1C[C@@H]([NH2+]C1CCN(c3ccc([N+](=O)[O-])nc3)CC1)CO2 ZINC000602720222 521496204 /nfs/dbraw/zinc/49/62/04/521496204.db2.gz DXLWFLRFSLGBRJ-MRXNPFEDSA-N 1 0 368.437 2.860 20 5 FFBDRO C[C@H](c1ccccc1)[C@H](O)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602724651 521498006 /nfs/dbraw/zinc/49/80/06/521498006.db2.gz UNVJDZWLJHXFDI-DNVCBOLYSA-N 1 0 370.453 2.713 20 5 FFBDRO O=C(Nc1ccc([N+](=O)[O-])c2ccncc12)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000599831169 521499048 /nfs/dbraw/zinc/49/90/48/521499048.db2.gz OXRQKZZJQGANMF-NVXWUHKLSA-N 1 0 355.398 2.891 20 5 FFBDRO C[C@@H](NC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N)C1CC[NH+](C)CC1 ZINC000597104624 521508847 /nfs/dbraw/zinc/50/88/47/521508847.db2.gz SPIAJJUYFRYBKY-SECBINFHSA-N 1 0 355.826 2.682 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H](C3CCC3)[C@@H]3CCCO3)CC2)cn1 ZINC000602743765 521510156 /nfs/dbraw/zinc/51/01/56/521510156.db2.gz UFOSJTOMAZOAMX-PKOBYXMFSA-N 1 0 360.458 2.896 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@@H]1O ZINC000602825094 521554520 /nfs/dbraw/zinc/55/45/20/521554520.db2.gz JPMFTPOWCIFNDX-LLLHUVSDSA-N 1 0 350.463 2.751 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](C)c1ccc(-n2cccn2)c(F)c1 ZINC000602834008 521559709 /nfs/dbraw/zinc/55/97/09/521559709.db2.gz XZVHRUARNRUXDG-GFCCVEGCSA-N 1 0 358.377 2.775 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](c1ccccc1)C1(CO)CCCC1 ZINC000602838556 521562541 /nfs/dbraw/zinc/56/25/41/521562541.db2.gz UFNMQTUWSCYISA-SFHVURJKSA-N 1 0 358.442 2.983 20 5 FFBDRO O=[N+]([O-])c1ccc2oc(CN3CCCN(c4cc[nH+]cc4)CC3)nc2c1 ZINC000602846033 521568027 /nfs/dbraw/zinc/56/80/27/521568027.db2.gz OSZLSHRKYKZTCX-UHFFFAOYSA-N 1 0 353.382 2.843 20 5 FFBDRO COc1c(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cccc1[N+](=O)[O-] ZINC000619440573 521568164 /nfs/dbraw/zinc/56/81/64/521568164.db2.gz HPWOAFFYUJKXSC-BBRMVZONSA-N 1 0 359.426 2.692 20 5 FFBDRO CC(C)NC(=O)[C@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000597232089 521587185 /nfs/dbraw/zinc/58/71/85/521587185.db2.gz PJXUXYCZAZQBNM-LBPRGKRZSA-N 1 0 371.384 2.933 20 5 FFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CCN(c3cc[nH+]c4c(O)cccc34)C2)nc1 ZINC000619486393 521592473 /nfs/dbraw/zinc/59/24/73/521592473.db2.gz PAFHHIQXPKGYAA-GFCCVEGCSA-N 1 0 351.366 2.934 20 5 FFBDRO Nc1cc(N[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc(CO)c1[N+](=O)[O-] ZINC000619570346 521775086 /nfs/dbraw/zinc/77/50/86/521775086.db2.gz VIKQWKYBQVENMO-INIZCTEOSA-N 1 0 356.426 2.746 20 5 FFBDRO C[C@H](C[NH+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1)C(C)(C)C ZINC000619844069 521901739 /nfs/dbraw/zinc/90/17/39/521901739.db2.gz JMMZJEKETZDXKM-CQSZACIVSA-N 1 0 369.487 2.583 20 5 FFBDRO CC(C)[C@H](CNc1nc2ccccc2cc1[N+](=O)[O-])[NH+]1CCN(C)CC1 ZINC000473512899 561051623 /nfs/dbraw/zinc/05/16/23/561051623.db2.gz JLGTUKYYRPFGHN-SFHVURJKSA-N 1 0 357.458 2.827 20 5 FFBDRO C[NH+](C)C1(CNc2ccc([N+](=O)[O-])c(-c3nn[nH]n3)c2)CCCCCC1 ZINC000825848264 607449798 /nfs/dbraw/zinc/44/97/98/607449798.db2.gz BBXZFCSKYCGTRB-UHFFFAOYSA-N 1 0 359.434 2.841 20 5 FFBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]Cc1cccc(-c2nn[nH]n2)c1)C1CC1 ZINC000823648324 606996086 /nfs/dbraw/zinc/99/60/86/606996086.db2.gz UQETVSDOJHFLPM-QGZVFWFLSA-N 1 0 364.409 2.886 20 5 FFBDRO COc1ccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)cc1-c1nn[nH]n1 ZINC000826201682 608286406 /nfs/dbraw/zinc/28/64/06/608286406.db2.gz BEOWHSQQYOHDJZ-GFCCVEGCSA-N 1 0 368.397 2.943 20 5 FFBDRO C[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824656553 609314510 /nfs/dbraw/zinc/31/45/10/609314510.db2.gz LPPUMYCNBDWLQN-OLZOCXBDSA-N 1 0 371.445 2.840 20 5 FFBDRO Cc1ncc([N+](=O)[O-])c(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC001164626793 719073960 /nfs/dbraw/zinc/07/39/60/719073960.db2.gz PIORDQWIKYETBD-WMZOPIPTSA-N 1 0 353.426 2.794 20 5 FFBDRO [NH3+]C1([C@@H]2CN(C(F)(F)c3cc([N+](=O)[O-])cnc3Cl)C[C@H]2CF)CC1 ZINC001164630952 719118317 /nfs/dbraw/zinc/11/83/17/719118317.db2.gz XWLFQRMLYXEGGB-LDYMZIIASA-N 1 0 364.755 2.701 20 5 FFBDRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC001164735197 720522075 /nfs/dbraw/zinc/52/20/75/720522075.db2.gz WCCYFYDBFRBFGS-CQSZACIVSA-N 1 0 366.425 2.538 20 5 FFBDRO Nc1cc([N+](=O)[O-])cnc1N1CCC[C@@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164994018 722207053 /nfs/dbraw/zinc/20/70/53/722207053.db2.gz CRPDLWXCYDVQCO-LJQANCHMSA-N 1 0 371.416 2.956 20 5 FFBDRO Nc1cc([N+](=O)[O-])cnc1N1CCC[C@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164994017 722207131 /nfs/dbraw/zinc/20/71/31/722207131.db2.gz CRPDLWXCYDVQCO-IBGZPJMESA-N 1 0 371.416 2.956 20 5 FFBDRO C[C@@H]1[C@H](C)SCCN1CN1CCN(c2ccccc2[N+](=O)[O-])C1=O ZINC000154754309 728811125 /nfs/dbraw/zinc/81/11/25/728811125.db2.gz QOXIFKSGUAYVEA-OLZOCXBDSA-N 1 0 350.444 2.620 20 5 FFBDRO C[N@H+](CCCNS(=O)(=O)c1csc([N+](=O)[O-])c1)C1CCCCC1 ZINC000119466195 728594797 /nfs/dbraw/zinc/59/47/97/728594797.db2.gz PHKWWQCEFUBRBM-UHFFFAOYSA-N 1 0 361.489 2.589 20 5 FFBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(S(N)(=O)=O)cc2)cc1[N+](=O)[O-] ZINC000121516533 728629564 /nfs/dbraw/zinc/62/95/64/728629564.db2.gz YIXQLTYVQKEJOA-CHWSQXEVSA-N 1 0 363.439 2.962 20 5 FFBDRO C[NH+](C)CCN(Cc1ccco1)C(=O)CSc1ccccc1[N+](=O)[O-] ZINC000130088386 728715022 /nfs/dbraw/zinc/71/50/22/728715022.db2.gz FICBXXUXJHZSKX-UHFFFAOYSA-N 1 0 363.439 2.870 20 5 FFBDRO C[N@@H+]1CCCC[C@H]1CN1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000174853031 729081608 /nfs/dbraw/zinc/08/16/08/729081608.db2.gz FZLZQYAIMGTUDS-KRWDZBQOSA-N 1 0 366.893 2.850 20 5 FFBDRO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1CC[C@H](C[N@H+](C)CC)C1 ZINC000177546266 729138722 /nfs/dbraw/zinc/13/87/22/729138722.db2.gz NDHVBEPCPBPXSE-GFCCVEGCSA-N 1 0 353.394 2.689 20 5 FFBDRO CC[N@H+](C)C[C@H]1CCN([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000245431400 729570008 /nfs/dbraw/zinc/57/00/08/729570008.db2.gz ASEBSZALYGYAPA-CHWSQXEVSA-N 1 0 368.865 2.849 20 5 FFBDRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)c1cccc([N+](=O)[O-])c1Br ZINC000760822257 736671048 /nfs/dbraw/zinc/67/10/48/736671048.db2.gz VXESFDJJGBHJTI-NSHDSACASA-N 1 0 368.231 2.571 20 5 FFBDRO CS[C@@H]1CN(c2cccc(Br)c2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000856737558 730352484 /nfs/dbraw/zinc/35/24/84/730352484.db2.gz HGJBBZPNIUDGKD-NWDGAFQWSA-N 1 0 360.277 2.839 20 5 FFBDRO C[C@H]1CC[C@@H](NC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C[NH2+]1 ZINC000859667323 730462389 /nfs/dbraw/zinc/46/23/89/730462389.db2.gz GABYFAOQDCGRGQ-WCBMZHEXSA-N 1 0 357.208 2.619 20 5 FFBDRO COCC[N@@H+]1CCC[C@H]1COC(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000861036776 730569727 /nfs/dbraw/zinc/56/97/27/730569727.db2.gz ROARVWRYHRLASE-LBPRGKRZSA-N 1 0 354.428 2.584 20 5 FFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1CCC[C@H](C(=O)N(C)C)C1 ZINC000866267867 731045194 /nfs/dbraw/zinc/04/51/94/731045194.db2.gz XZCJTYZSGREPRV-INWMFGNUSA-N 1 0 351.422 2.902 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H]1CC2(CO1)CCOCC2 ZINC000866533653 731071549 /nfs/dbraw/zinc/07/15/49/731071549.db2.gz SZGVRDUMSKWBTI-DZGCQCFKSA-N 1 0 350.415 2.840 20 5 FFBDRO O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000868145103 731263138 /nfs/dbraw/zinc/26/31/38/731263138.db2.gz JSMPWOQGODZHFD-YPMHNXCESA-N 1 0 358.320 2.972 20 5 FFBDRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000870974155 731582417 /nfs/dbraw/zinc/58/24/17/731582417.db2.gz IEWKRURSTRQHEA-YSCVYTRNSA-N 1 0 368.231 2.618 20 5 FFBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H]1CN(C2CC2)C(=O)O1 ZINC000872085274 731728169 /nfs/dbraw/zinc/72/81/69/731728169.db2.gz OSVICDHENNEHQJ-ZWNOBZJWSA-N 1 0 351.428 2.951 20 5 FFBDRO CC1(C)C[NH2+]CC[C@@H](NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000872276459 731748001 /nfs/dbraw/zinc/74/80/01/731748001.db2.gz XTEITVVVHDQHEK-LLVKDONJSA-N 1 0 357.813 2.824 20 5 FFBDRO COCCN(CC1CC[NH+](C)CC1)C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000876164393 732220156 /nfs/dbraw/zinc/22/01/56/732220156.db2.gz JXABIIXRPCNRQE-UHFFFAOYSA-N 1 0 369.849 2.679 20 5 FFBDRO C[NH+]1CCC(n2cc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cn2)CC1 ZINC000876280846 732230809 /nfs/dbraw/zinc/23/08/09/732230809.db2.gz NXPUNSWBMTXIMD-UHFFFAOYSA-N 1 0 363.805 2.964 20 5 FFBDRO COC(=O)N1CCC([NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000876971071 732305593 /nfs/dbraw/zinc/30/55/93/732305593.db2.gz LLLDLDYOQUZBOR-UHFFFAOYSA-N 1 0 361.320 2.934 20 5 FFBDRO Cc1cc(F)cc(C(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000877016564 732312335 /nfs/dbraw/zinc/31/23/35/732312335.db2.gz OCGVNLGWKDQURU-CABZTGNLSA-N 1 0 363.311 2.642 20 5 FFBDRO C[C@](O)(C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)c1cccc(Cl)c1 ZINC000877375253 732355200 /nfs/dbraw/zinc/35/52/00/732355200.db2.gz WICCJLVBYPPBKD-XUJLQICISA-N 1 0 350.806 2.646 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3C[C@H](CO)[C@H](CO)C3)o2)c(Cl)c1 ZINC000877764740 732424993 /nfs/dbraw/zinc/42/49/93/732424993.db2.gz NMWMROLJPGQAOJ-TXEJJXNPSA-N 1 0 366.801 2.541 20 5 FFBDRO C[C@@H]([NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H]1c1cccs1 ZINC000877829927 732443190 /nfs/dbraw/zinc/44/31/90/732443190.db2.gz AJYXBATUCQWEAL-QRLLODHJSA-N 1 0 362.451 2.832 20 5 FFBDRO C[NH+]1CCC2(CCN(CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)C2)CC1 ZINC000878864420 732606045 /nfs/dbraw/zinc/60/60/45/732606045.db2.gz AUJFTMKAKOHYJN-UHFFFAOYSA-N 1 0 366.849 2.604 20 5 FFBDRO C[C@](CO)([NH2+]C[C@@H](O)c1ccc(F)cc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000879271601 732676379 /nfs/dbraw/zinc/67/63/79/732676379.db2.gz GTWFLWAJBJLWHA-IAGOWNOFSA-N 1 0 368.792 2.918 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000879560711 732723070 /nfs/dbraw/zinc/72/30/70/732723070.db2.gz IFHZXQDTTFTUMD-CHWSQXEVSA-N 1 0 365.455 2.617 20 5 FFBDRO CC[C@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@@H]1CCCOC1 ZINC000880468281 732912016 /nfs/dbraw/zinc/91/20/16/732912016.db2.gz CPMGCLOQRBBIEY-DOMZBBRYSA-N 1 0 353.394 2.857 20 5 FFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](O)c1ccnn1C ZINC000927135079 738695231 /nfs/dbraw/zinc/69/52/31/738695231.db2.gz LWQOTWCJEYORIW-SWLSCSKDSA-N 1 0 350.444 2.522 20 5 FFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1C[C@H](O)C12CCOCC2 ZINC000927155315 738697635 /nfs/dbraw/zinc/69/76/35/738697635.db2.gz JWNNUFKTRLGQOD-COXVUDFISA-N 1 0 366.483 2.985 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@H](CO)C[C@H]3CCCO3)cs2)c1 ZINC000886228671 733762581 /nfs/dbraw/zinc/76/25/81/733762581.db2.gz DGPXMADHSNHZBC-XJKSGUPXSA-N 1 0 363.439 2.738 20 5 FFBDRO COC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000886651993 733812844 /nfs/dbraw/zinc/81/28/44/733812844.db2.gz WPYIJRXKAQZDBZ-BXKDBHETSA-N 1 0 357.204 2.789 20 5 FFBDRO COc1ccc(CSCC(=O)N[C@H](C[NH+](C)C)C(C)C)cc1[N+](=O)[O-] ZINC000733167664 734794974 /nfs/dbraw/zinc/79/49/74/734794974.db2.gz YFRXAROQIONUGT-CQSZACIVSA-N 1 0 369.487 2.539 20 5 FFBDRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000895276163 734985810 /nfs/dbraw/zinc/98/58/10/734985810.db2.gz UWWVPEAILFLHRX-GFCCVEGCSA-N 1 0 360.801 2.994 20 5 FFBDRO CCO/C=C/[C@](O)(C[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)C(F)(F)F ZINC000895705832 735043244 /nfs/dbraw/zinc/04/32/44/735043244.db2.gz BQIMSKBJJRDTJP-UZYOAWRESA-N 1 0 364.320 2.537 20 5 FFBDRO CC[C@H](C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2)[NH+](CC)CC ZINC000741034120 735112138 /nfs/dbraw/zinc/11/21/38/735112138.db2.gz XVSQWQQTHXMDGU-OAHLLOKOSA-N 1 0 352.387 2.625 20 5 FFBDRO COc1c(O)ccc(C[NH2+]C[C@H]2CCC[C@@H](C(F)(F)F)O2)c1[N+](=O)[O-] ZINC000896822164 735184867 /nfs/dbraw/zinc/18/48/67/735184867.db2.gz HSDCYCRGDBDMFC-PWSUYJOCSA-N 1 0 364.320 2.899 20 5 FFBDRO O=[N+]([O-])c1cc(N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)ccc1C(F)(F)F ZINC000897221082 735208120 /nfs/dbraw/zinc/20/81/20/735208120.db2.gz GZOLSJIETOVTFN-KGLIPLIRSA-N 1 0 359.348 2.649 20 5 FFBDRO C[C@H](CNC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl)C[NH+](C)C ZINC000897824321 735280983 /nfs/dbraw/zinc/28/09/83/735280983.db2.gz ZUWRMEWIUGLVKI-SSDOTTSWSA-N 1 0 352.193 2.968 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000747376512 735560157 /nfs/dbraw/zinc/56/01/57/735560157.db2.gz SUIIERSASQLUAX-UGFHNGPFSA-N 1 0 367.833 2.572 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000747376510 735560291 /nfs/dbraw/zinc/56/02/91/735560291.db2.gz SUIIERSASQLUAX-KCPJHIHWSA-N 1 0 367.833 2.572 20 5 FFBDRO COc1cc([C@@H](C)[NH2+]C[C@H](O)C(F)(F)C(F)(F)F)cc([N+](=O)[O-])c1 ZINC000903222007 736058247 /nfs/dbraw/zinc/05/82/47/736058247.db2.gz WGJHYPPWXDIULA-HQJQHLMTSA-N 1 0 358.263 2.813 20 5 FFBDRO C[C@H]([NH2+]Cc1cccc(N(C)S(C)(=O)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000903422796 736090342 /nfs/dbraw/zinc/09/03/42/736090342.db2.gz RPTVFOMDGRMDTE-ZDUSSCGKSA-N 1 0 363.439 2.841 20 5 FFBDRO O=C(C[NH2+][C@@H](CCO)c1cccs1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000754384942 736154359 /nfs/dbraw/zinc/15/43/59/736154359.db2.gz RZJDXRGPRDHJSK-ZDUSSCGKSA-N 1 0 369.830 2.962 20 5 FFBDRO CC1(C)C[C@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCS1 ZINC000905662339 736378906 /nfs/dbraw/zinc/37/89/06/736378906.db2.gz IUDJRKZOPANERB-GFCCVEGCSA-N 1 0 358.485 2.632 20 5 FFBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC000906790861 736544075 /nfs/dbraw/zinc/54/40/75/736544075.db2.gz JTAALZSLRNHMLW-MLGOLLRUSA-N 1 0 353.850 2.979 20 5 FFBDRO C[NH+]1CCC(CNC(=S)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000760499065 736645364 /nfs/dbraw/zinc/64/53/64/736645364.db2.gz JUKNDOOKLQMADQ-UHFFFAOYSA-N 1 0 362.499 2.776 20 5 FFBDRO CC(C)C[N@@H+]1CCO[C@H](COC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000763977325 736983188 /nfs/dbraw/zinc/98/31/88/736983188.db2.gz IANQIAVNAKHSMS-PBHICJAKSA-N 1 0 350.415 2.598 20 5 FFBDRO COc1cc(NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000766926631 737276237 /nfs/dbraw/zinc/27/62/37/737276237.db2.gz LVUXIBBCRXMCQN-CHWSQXEVSA-N 1 0 353.419 2.523 20 5 FFBDRO C[NH+]1CCC2(CCN(C(=O)c3cc(Cl)c(N)c([N+](=O)[O-])c3)CC2)CC1 ZINC000913655862 737427251 /nfs/dbraw/zinc/42/72/51/737427251.db2.gz BYYBVRFEWNOVFF-UHFFFAOYSA-N 1 0 366.849 2.778 20 5 FFBDRO CC[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[C@H](O)C(F)(F)F ZINC000773129372 737874187 /nfs/dbraw/zinc/87/41/87/737874187.db2.gz FNEISLJYWXSLBG-GJZGRUSLSA-N 1 0 361.364 2.855 20 5 FFBDRO O=[N+]([O-])c1cc2cnn(C[N@@H+]3CC[C@H]([C@H]4CCOC4)C3)c2c(Cl)c1 ZINC000774637577 738008470 /nfs/dbraw/zinc/00/84/70/738008470.db2.gz BZFOMPMQEGUACJ-RYUDHWBXSA-N 1 0 350.806 2.914 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1CCC2(CCOCC2)O1 ZINC000922814362 738204793 /nfs/dbraw/zinc/20/47/93/738204793.db2.gz RQXQFMYACJZQEE-INIZCTEOSA-N 1 0 350.415 2.811 20 5 FFBDRO C[C@]1(CC[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1(Cl)Cl ZINC000819350818 742380269 /nfs/dbraw/zinc/38/02/69/742380269.db2.gz RURHDKQNLPXGEU-RISCZKNCSA-N 1 0 363.241 2.898 20 5 FFBDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000778262332 738367674 /nfs/dbraw/zinc/36/76/74/738367674.db2.gz UCUJKVILNFPAPX-PHIMTYICSA-N 1 0 363.443 2.592 20 5 FFBDRO CC(C)(C)[N@@H+]1CCCN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000931125261 739215560 /nfs/dbraw/zinc/21/55/60/739215560.db2.gz YRSRGHRXUKPSFZ-UHFFFAOYSA-N 1 0 351.422 2.999 20 5 FFBDRO COC(=O)N1CCC[C@H]([C@@H](C)[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000788752240 739279288 /nfs/dbraw/zinc/27/92/88/739279288.db2.gz DHIWNCRUDHDYQO-BZPMIXESSA-N 1 0 350.419 2.695 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+][C@H]2CC[C@H](SC)C2)cc1[N+](=O)[O-] ZINC000788968346 739304341 /nfs/dbraw/zinc/30/43/41/739304341.db2.gz XAKJIUINKHDGKN-STQMWFEESA-N 1 0 354.428 2.520 20 5 FFBDRO CC(C)([NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1)C(=O)N1CCCC1 ZINC000793395365 739777379 /nfs/dbraw/zinc/77/73/79/739777379.db2.gz NHLFBKVZBCIPSA-UHFFFAOYSA-N 1 0 370.247 2.848 20 5 FFBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC000934576254 739808673 /nfs/dbraw/zinc/80/86/73/739808673.db2.gz MDKZAALLJLVTHY-NHYWBVRUSA-N 1 0 351.834 2.780 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N(C)CCC[NH+]1CCCC1 ZINC000798404154 740328883 /nfs/dbraw/zinc/32/88/83/740328883.db2.gz LCYRGDYQZDTZBG-UHFFFAOYSA-N 1 0 355.822 2.957 20 5 FFBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)c1cccc(NS(C)(=O)=O)c1 ZINC000801539101 740628879 /nfs/dbraw/zinc/62/88/79/740628879.db2.gz AUKIVBUMBBVING-LLVKDONJSA-N 1 0 367.402 2.956 20 5 FFBDRO CC(C)c1ccc(C(=O)OC[C@@H]2C[N@H+](C(C)C)CCO2)cc1[N+](=O)[O-] ZINC000802136360 740676483 /nfs/dbraw/zinc/67/64/83/740676483.db2.gz GPXQITUZEBZBED-HNNXBMFYSA-N 1 0 350.415 2.984 20 5 FFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCC3(CCOCC3)[C@@H]2O)cc1Cl ZINC000802659525 740716146 /nfs/dbraw/zinc/71/61/46/740716146.db2.gz IMWZXMVHTZIKTD-CZUORRHYSA-N 1 0 354.834 2.906 20 5 FFBDRO COCC[NH+](CCOC)C1CCN(c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000804818481 740907536 /nfs/dbraw/zinc/90/75/36/740907536.db2.gz HEILAEJSOJEDDV-UHFFFAOYSA-N 1 0 371.865 2.812 20 5 FFBDRO Cc1cc(Cl)ccc1C[N@@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985430964 741395161 /nfs/dbraw/zinc/39/51/61/741395161.db2.gz KHCZTKHGRZFJRF-IAGOWNOFSA-N 1 0 365.861 2.736 20 5 FFBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)[C@H]1n1cccn1 ZINC000816672592 742052526 /nfs/dbraw/zinc/05/25/26/742052526.db2.gz DUSPSBJTAXZUME-FVQBIDKESA-N 1 0 350.806 2.953 20 5 FFBDRO CC[NH+]1CCC(N2CCCN(c3ccc([N+](=O)[O-])cc3F)CC2)CC1 ZINC000817125691 742089871 /nfs/dbraw/zinc/08/98/71/742089871.db2.gz UKYZGZBKIDNLBI-UHFFFAOYSA-N 1 0 350.438 2.730 20 5 FFBDRO C[C@@H]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C[C@H]1C[NH3+] ZINC000818008131 742229451 /nfs/dbraw/zinc/22/94/51/742229451.db2.gz DNGJVCCSUZPPAU-RKDXNWHRSA-N 1 0 374.210 2.553 20 5 FFBDRO [NH3+][C@H]1CCCO[C@H]1C1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000818011318 742229780 /nfs/dbraw/zinc/22/97/80/742229780.db2.gz XTHNRXGWBBRFPA-HOCLYGCPSA-N 1 0 367.833 2.607 20 5 FFBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CCC2(CC[NH2+]CC2)CC1 ZINC000818613962 742284268 /nfs/dbraw/zinc/28/42/68/742284268.db2.gz KXKLNEDGANDIME-UHFFFAOYSA-N 1 0 369.824 2.922 20 5 FFBDRO C[N@@H+](Cc1ccccc1)C[C@@H](O)CNCc1cc([N+](=O)[O-])ccc1Cl ZINC000819151005 742343974 /nfs/dbraw/zinc/34/39/74/742343974.db2.gz VHEOTJGVJULXLM-KRWDZBQOSA-N 1 0 363.845 2.831 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCc2cccc(C(F)(F)F)n2)c1 ZINC000819328311 742375468 /nfs/dbraw/zinc/37/54/68/742375468.db2.gz CBVGBUJRLROLET-CQSZACIVSA-N 1 0 355.316 2.874 20 5 FFBDRO O=C(N[C@H]1CC[C@H]([NH2+]Cc2cc(F)ccc2Cl)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001034643926 742928355 /nfs/dbraw/zinc/92/83/55/742928355.db2.gz VDRDNCZAFNEFLA-IXYNUQLISA-N 1 0 369.824 2.661 20 5 FFBDRO CCN(C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N)[C@@H]1CC[N@H+](CC)C1 ZINC000825018076 743195117 /nfs/dbraw/zinc/19/51/17/743195117.db2.gz GHDIYZMAAQJTFV-SECBINFHSA-N 1 0 358.801 2.526 20 5 FFBDRO Cn1nccc1[C@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CCO1 ZINC000825045436 743200266 /nfs/dbraw/zinc/20/02/66/743200266.db2.gz DJGVTICLXXPRJZ-CZUORRHYSA-N 1 0 350.806 2.992 20 5 FFBDRO Cn1nccc1[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CCO1 ZINC000825045810 743200956 /nfs/dbraw/zinc/20/09/56/743200956.db2.gz LUPONOVVJDOVTI-BLLLJJGKSA-N 1 0 350.806 2.992 20 5 FFBDRO Cn1nccc1[C@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CCO1 ZINC000825046818 743201214 /nfs/dbraw/zinc/20/12/14/743201214.db2.gz YGWALANRRUUZDW-BLLLJJGKSA-N 1 0 350.806 2.992 20 5 FFBDRO O=C(N[C@H]1CC[C@H](C[NH2+]Cc2ccccc2Cl)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001050325763 743511336 /nfs/dbraw/zinc/51/13/36/743511336.db2.gz MDVSPBDYUOOLLL-DNNBLBMLSA-N 1 0 365.861 2.770 20 5 FFBDRO CC1(C)[C@H]([NH2+]CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@H]2CCCO[C@H]21 ZINC000831319776 745514401 /nfs/dbraw/zinc/51/44/01/745514401.db2.gz AHJPQWYWHJEWPS-HFBAOOFYSA-N 1 0 367.833 2.980 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)cc1Cl ZINC000836251676 746175032 /nfs/dbraw/zinc/17/50/32/746175032.db2.gz NRQUASDZRFKKJU-CYBMUJFWSA-N 1 0 369.849 2.643 20 5 FFBDRO C[NH+](C)CCN(Cc1ccsc1)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000838186358 746591864 /nfs/dbraw/zinc/59/18/64/746591864.db2.gz OSBKAAQKJHVEMK-UHFFFAOYSA-N 1 0 351.403 2.999 20 5 FFBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000838513046 746655491 /nfs/dbraw/zinc/65/54/91/746655491.db2.gz LOTPZULBDQGYPU-LBPRGKRZSA-N 1 0 354.838 2.779 20 5 FFBDRO CC[C@@H]1CN(C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000839393241 746821263 /nfs/dbraw/zinc/82/12/63/746821263.db2.gz YNXOKGQWMPHNAN-SNVBAGLBSA-N 1 0 356.220 2.524 20 5 FFBDRO CC(C)[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C1(CO)CCC1 ZINC000839609992 746870650 /nfs/dbraw/zinc/87/06/50/746870650.db2.gz YWJBTJDXPMLDBY-INIZCTEOSA-N 1 0 369.849 2.964 20 5 FFBDRO CC[N@H+](CC(=O)N[C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F)C1CC1 ZINC000839864379 746946392 /nfs/dbraw/zinc/94/63/92/746946392.db2.gz RVFAKHZZXRPXPX-CQSZACIVSA-N 1 0 363.311 2.938 20 5 FFBDRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000841099180 747268860 /nfs/dbraw/zinc/26/88/60/747268860.db2.gz GVESTRXOAPKMBQ-DOTOQJQBSA-N 1 0 353.850 2.967 20 5 FFBDRO [NH3+][C@@H]1CCO[C@@H](C2CCN(Cc3cc(Cl)ccc3[N+](=O)[O-])CC2)C1 ZINC000841104779 747270907 /nfs/dbraw/zinc/27/09/07/747270907.db2.gz SHDANMZUPQLKCE-NVXWUHKLSA-N 1 0 353.850 2.967 20 5 FFBDRO CC(C)(CCC[NH3+])NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841160252 747283846 /nfs/dbraw/zinc/28/38/46/747283846.db2.gz APYVCJSNIYIFIB-UHFFFAOYSA-N 1 0 359.224 2.996 20 5 FFBDRO C[C@@H]1C[C@H](NC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000841161472 747284400 /nfs/dbraw/zinc/28/44/00/747284400.db2.gz LIAMEWKMJZGCOI-PSASIEDQSA-N 1 0 357.208 2.619 20 5 FFBDRO [NH3+]C[C@@H]1CCCN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000841162614 747285434 /nfs/dbraw/zinc/28/54/34/747285434.db2.gz XYCDLSXSWPLRBM-VIFPVBQESA-N 1 0 357.208 2.560 20 5 FFBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)NCc3cc([N+](=O)[O-])ccc3Cl)C[C@H]21 ZINC000841854491 747476371 /nfs/dbraw/zinc/47/63/71/747476371.db2.gz AXPXMFBWRDWZGO-WDBKCZKBSA-N 1 0 352.822 2.517 20 5 FFBDRO [NH3+][C@@H]1CCC[C@H]2CN(Cc3c(Br)cccc3[N+](=O)[O-])C[C@@H]21 ZINC000843059943 747758245 /nfs/dbraw/zinc/75/82/45/747758245.db2.gz VRLGGQCEAAFMFE-COPLHBTASA-N 1 0 354.248 2.917 20 5 FFBDRO Cc1cc([C@H]([NH3+])CC(=O)N2CCc3c2cccc3[N+](=O)[O-])cc(Cl)n1 ZINC000843440286 747837379 /nfs/dbraw/zinc/83/73/79/747837379.db2.gz SLHOVSFEUKHXRG-CYBMUJFWSA-N 1 0 360.801 2.931 20 5 FFBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N[C@H]1CC[NH2+]C12CCCC2 ZINC000843513705 747847229 /nfs/dbraw/zinc/84/72/29/747847229.db2.gz AIWODCKGBKEPCI-AWEZNQCLSA-N 1 0 355.797 2.721 20 5 FFBDRO CS[C@@H]1CN(C(=O)c2c(C)c(F)ccc2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000843854288 747912255 /nfs/dbraw/zinc/91/22/55/747912255.db2.gz KDRHLSGTGLYAJW-HUUCEWRRSA-N 1 0 367.446 2.694 20 5 FFBDRO C[C@@H]1C[N@H+](C)[C@H](C)[C@H](C)N1C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000844643567 748062890 /nfs/dbraw/zinc/06/28/90/748062890.db2.gz UHWZZQIAFZEWHX-MXWKQRLJSA-N 1 0 370.247 2.910 20 5 FFBDRO C[C@@H]1[C@@H](C)[N@@H+](C)C[C@H](C)N1C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000844643995 748063265 /nfs/dbraw/zinc/06/32/65/748063265.db2.gz ZLSKAPZEYYTXNB-HBNTYKKESA-N 1 0 357.813 2.869 20 5 FFBDRO C[C@H]1CCCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1CC[NH3+] ZINC000846226687 748434177 /nfs/dbraw/zinc/43/41/77/748434177.db2.gz TWFARLKASMGXEZ-SMDDNHRTSA-N 1 0 354.838 2.636 20 5 FFBDRO C[C@H]1COCC[N@@H+]1C1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000846912884 748573398 /nfs/dbraw/zinc/57/33/98/748573398.db2.gz PJFJSWVJZKKKPZ-ZDUSSCGKSA-N 1 0 353.850 2.933 20 5 FFBDRO CO[C@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000850359322 749352280 /nfs/dbraw/zinc/35/22/80/749352280.db2.gz DNFIBYSTCSHATG-PMACEKPBSA-N 1 0 355.459 2.895 20 5 FFBDRO Cc1ccc([C@@H](C)[NH2+]CCS(=O)(=O)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000850518856 749380245 /nfs/dbraw/zinc/38/02/45/749380245.db2.gz FNVIYYKNYUKJLK-SNVBAGLBSA-N 1 0 354.350 2.531 20 5 FFBDRO COC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000852041250 749759671 /nfs/dbraw/zinc/75/96/71/749759671.db2.gz NPRZZRLIQXKXNQ-ZDUSSCGKSA-N 1 0 350.268 2.661 20 5 FFBDRO CCOC(=O)[C@@H]1CC[C@H](C)[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC000852204664 749802483 /nfs/dbraw/zinc/80/24/83/749802483.db2.gz UVHCWENKUNGRBX-NSNWQYSKSA-N 1 0 350.415 2.680 20 5 FFBDRO CC(C)[NH2+]C1(CO)CCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1 ZINC000853657002 750128448 /nfs/dbraw/zinc/12/84/48/750128448.db2.gz JISBPFWPPQZVJI-UHFFFAOYSA-N 1 0 350.444 2.534 20 5 FFBDRO C[NH+]1CCC2(CCN(C(=O)C(F)(F)c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000854498779 750320281 /nfs/dbraw/zinc/32/02/81/750320281.db2.gz XMTMYAQZEZBUKR-UHFFFAOYSA-N 1 0 353.369 2.631 20 5 FFBDRO CNc1nccc(C(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000521595745 821307983 /nfs/dbraw/zinc/30/79/83/821307983.db2.gz DKNQIZFLYDNADE-CHWSQXEVSA-N 1 0 363.462 2.518 20 5 FFBDRO COc1ccc(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000895810968 970964880 /nfs/dbraw/zinc/96/48/80/970964880.db2.gz ANLOAFIRXSIQGM-VQIMIIECSA-N 1 0 369.421 2.913 20 5 FFBDRO CCC1([NH+]2CCC2)CCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000895828035 970976085 /nfs/dbraw/zinc/97/60/85/970976085.db2.gz SCBWTQVREJZMJT-UHFFFAOYSA-N 1 0 361.442 2.816 20 5 FFBDRO COc1c(O)ccc(C[NH2+][C@@H]2CCN(C)[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000893266640 971206815 /nfs/dbraw/zinc/20/68/15/971206815.db2.gz SDWBLSUVVNNLHX-WBVHZDCISA-N 1 0 357.410 2.844 20 5 FFBDRO C[C@H]([NH2+]C[C@H]1COCCN1C(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000311304458 971844745 /nfs/dbraw/zinc/84/47/45/971844745.db2.gz OCJGCPJIBCFHOT-BBRMVZONSA-N 1 0 365.430 2.881 20 5 FFBDRO C[C@H]([NH2+]C[C@@H]1COCCN1C(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000311304465 971845342 /nfs/dbraw/zinc/84/53/42/971845342.db2.gz OCJGCPJIBCFHOT-XJKSGUPXSA-N 1 0 365.430 2.881 20 5 FFBDRO COc1cc(C[NH2+]C[C@@H](O)c2c(F)cccc2F)c([N+](=O)[O-])cc1OC ZINC000123965393 971900639 /nfs/dbraw/zinc/90/06/39/971900639.db2.gz LAPMKADQRTXVDO-CQSZACIVSA-N 1 0 368.336 2.713 20 5 FFBDRO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000254980114 959726371 /nfs/dbraw/zinc/72/63/71/959726371.db2.gz JZLRHLTVKVXBFE-LEQAYGSTSA-N 1 0 361.442 2.612 20 5 FFBDRO Cc1cc(Cl)nc(N2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)c1[N+](=O)[O-] ZINC001167205451 960399147 /nfs/dbraw/zinc/39/91/47/960399147.db2.gz HVERZKTXCCLTAZ-KDOFPFPSSA-N 1 0 358.829 2.929 20 5 FFBDRO CC(C)Oc1nc(N2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC001167207538 960401934 /nfs/dbraw/zinc/40/19/34/960401934.db2.gz FPYRJDPQGVAYQR-UZLBHIALSA-N 1 0 368.437 2.754 20 5 FFBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)([NH+]2CCCCC2)CC1 ZINC000872664329 1013245008 /nfs/dbraw/zinc/24/50/08/1013245008.db2.gz RYHLPNOVLPZHNR-UHFFFAOYSA-N 1 0 360.458 2.799 20 5 FFBDRO Nc1ccc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000010050373 1013315561 /nfs/dbraw/zinc/31/55/61/1013315561.db2.gz NADNBKSEOLTZGT-GOSISDBHSA-N 1 0 354.410 2.744 20 5 FFBDRO [NH3+]CC1(N(Cc2ccccc2)c2nc3c(cc2[N+](=O)[O-])CCCC3)COC1 ZINC001167367851 962415910 /nfs/dbraw/zinc/41/59/10/962415910.db2.gz FOIKFMMTMBXKSF-UHFFFAOYSA-N 1 0 368.437 2.603 20 5 FFBDRO C[C@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccc2[nH]c(=O)oc2c1 ZINC001175016180 1013361721 /nfs/dbraw/zinc/36/17/21/1013361721.db2.gz NRIKJSPMEQMVSR-NSHDSACASA-N 1 0 370.365 2.755 20 5 FFBDRO COc1ccc(OC)c([C@@H](O)[C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2F)c1 ZINC000873196046 1013419602 /nfs/dbraw/zinc/41/96/02/1013419602.db2.gz QNPAJTRTOPZLTG-VOJFVSQTSA-N 1 0 364.373 2.963 20 5 FFBDRO COC[C@]1(C(=O)OC(C)(C)C)CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC001175240212 1013421973 /nfs/dbraw/zinc/42/19/73/1013421973.db2.gz YCGZFJMTQHRSHA-SFHVURJKSA-N 1 0 368.405 2.914 20 5 FFBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000126508862 963694074 /nfs/dbraw/zinc/69/40/74/963694074.db2.gz NGTIWDHIHAYULL-ZIAGYGMSSA-N 1 0 356.426 2.993 20 5 FFBDRO Cc1cccc(C)c1N(C[C@H](C)[NH+](C)C)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000891570096 964502578 /nfs/dbraw/zinc/50/25/78/964502578.db2.gz SLWIUHMDIYFPBO-AWEZNQCLSA-N 1 0 359.430 2.542 20 5 FFBDRO O=[N+]([O-])c1cccc(OCC[N@H+]2Cc3cccnc3N3CCC[C@H]3C2)c1 ZINC001175559400 1013510796 /nfs/dbraw/zinc/51/07/96/1013510796.db2.gz CIXUHWVWQJEIJB-KRWDZBQOSA-N 1 0 354.410 2.853 20 5 FFBDRO C[C@@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1cc2cnccc2o1 ZINC001175637684 1013518854 /nfs/dbraw/zinc/51/88/54/1013518854.db2.gz AYWXYNIWEMONJA-OCCSQVGLSA-N 1 0 357.366 2.827 20 5 FFBDRO CC(=O)N1CCN(c2cc[nH+]cc2Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC001175736035 1013546560 /nfs/dbraw/zinc/54/65/60/1013546560.db2.gz UHQNDWONFVVLEY-UHFFFAOYSA-N 1 0 359.361 2.541 20 5 FFBDRO C[C@H](CNC(=O)NCC1CC[NH+](C2CC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000894473448 965395344 /nfs/dbraw/zinc/39/53/44/965395344.db2.gz UDFLCZCYNYDNCP-CQSZACIVSA-N 1 0 360.458 2.872 20 5 FFBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)N3CCC[C@@H]3C3CC3)c2)CC1 ZINC000934042904 965541109 /nfs/dbraw/zinc/54/11/09/965541109.db2.gz CKFDXSRCBCZKBL-QGZVFWFLSA-N 1 0 373.457 2.753 20 5 FFBDRO COc1cccc(C[NH+]2CCC(NC(=O)c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000108537339 965905001 /nfs/dbraw/zinc/90/50/01/965905001.db2.gz HYNNCWGCAKBDEB-UHFFFAOYSA-N 1 0 369.421 2.998 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])cc(-n2cc(CC[NH3+])c3cc(O)ccc32)c1 ZINC001167987269 965946011 /nfs/dbraw/zinc/94/60/11/965946011.db2.gz KTADALVDWWTTIK-UHFFFAOYSA-N 1 0 355.350 2.532 20 5 FFBDRO COc1cc(C[NH2+]C[C@H]2COCO2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000894868965 965978016 /nfs/dbraw/zinc/97/80/16/965978016.db2.gz QHHJHKMGLAOKDU-KRWDZBQOSA-N 1 0 374.393 2.645 20 5 FFBDRO COC(=O)CCC1CCN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC001167593847 966731054 /nfs/dbraw/zinc/73/10/54/966731054.db2.gz DWOGUMARSGYBGN-UHFFFAOYSA-N 1 0 374.397 2.810 20 5 FFBDRO O=C(C[NH2+][C@@H](CCO)C1CCCC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001176505907 1013718365 /nfs/dbraw/zinc/71/83/65/1013718365.db2.gz WDQNWVRGDDLWAW-AWEZNQCLSA-N 1 0 355.822 2.718 20 5 FFBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCOC[C@H]2C[C@H]2CCCO2)cc1 ZINC001176611806 1013736467 /nfs/dbraw/zinc/73/64/67/1013736467.db2.gz XIMLDYYTBOLCEU-SJLPKXTDSA-N 1 0 350.415 2.634 20 5 FFBDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000874846341 1013917722 /nfs/dbraw/zinc/91/77/22/1013917722.db2.gz IRBPBBSGYZUSKX-ZWKOTPCHSA-N 1 0 358.442 2.504 20 5 FFBDRO Cn1c2ccccc2c(N2CC[C@H](C[NH+]3CCCCC3)C2)c([N+](=O)[O-])c1=O ZINC000892686685 969945255 /nfs/dbraw/zinc/94/52/55/969945255.db2.gz BOWSIVNRYOVONB-OAHLLOKOSA-N 1 0 370.453 2.759 20 5 FFBDRO C[NH+](C)CCCOc1ccc(NC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000825760127 1013956095 /nfs/dbraw/zinc/95/60/95/1013956095.db2.gz FCUVCKJKPAYIBN-SFHVURJKSA-N 1 0 373.409 2.597 20 5 FFBDRO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cc([N+](=O)[O-])ccc1F ZINC000311819288 970172879 /nfs/dbraw/zinc/17/28/79/970172879.db2.gz PZUOWEBWAULPFT-OAHLLOKOSA-N 1 0 357.385 2.986 20 5 FFBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]C[C@@H]3CCC4(CCOCC4)CO3)nc2c1 ZINC000895538153 970716970 /nfs/dbraw/zinc/71/69/70/970716970.db2.gz YEWJSMSZEXWUTI-AWEZNQCLSA-N 1 0 361.398 2.801 20 5 FFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@H](CO)c3ccccc3C(F)(F)F)C2)c1 ZINC000897330269 974305343 /nfs/dbraw/zinc/30/53/43/974305343.db2.gz NXMOYWUGMYTWHA-QKFMDRJYSA-N 1 0 370.331 2.837 20 5 FFBDRO CCC1([NH+]2CCC2)CCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000899560402 977234613 /nfs/dbraw/zinc/23/46/13/977234613.db2.gz OGHMUUDALXVJEN-UHFFFAOYSA-N 1 0 360.458 2.508 20 5 FFBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000843816122 977307327 /nfs/dbraw/zinc/30/73/27/977307327.db2.gz BFIZYPQXHQXJNF-STQMWFEESA-N 1 0 367.421 2.662 20 5 FFBDRO Cc1ccc(C)c(C[N@@H+]2C[C@@]3(C)CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C[C@@]3(C)C2)c1 ZINC000982278800 977375362 /nfs/dbraw/zinc/37/53/62/977375362.db2.gz RLZBXLPEOZMSMA-UKAVVXHISA-N 1 0 371.481 2.639 20 5 FFBDRO O=[N+]([O-])c1cnc2ccc(F)cc2c1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000893712332 977440157 /nfs/dbraw/zinc/44/01/57/977440157.db2.gz USVUTKFRWHFYFJ-CQSZACIVSA-N 1 0 374.416 2.831 20 5 FFBDRO Cc1cccc(C)c1C[NH+]1CCC(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001482043814 977956256 /nfs/dbraw/zinc/95/62/56/977956256.db2.gz XCEFLJQKZZDJLE-IEBWSBKVSA-N 1 0 359.470 2.687 20 5 FFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@H](O)c3ccccc3C(F)(F)F)C2)c1 ZINC000876989487 1014441633 /nfs/dbraw/zinc/44/16/33/1014441633.db2.gz VIDDVOXHVXXWPO-NWHVRFAMSA-N 1 0 370.331 2.837 20 5 FFBDRO C[N@H+](CCN1CCN(c2ccc([N+](=O)[O-])cc2F)CC1)Cc1ccccc1 ZINC000729184608 978197701 /nfs/dbraw/zinc/19/77/01/978197701.db2.gz FQMWYPXXISVHPP-UHFFFAOYSA-N 1 0 372.444 2.988 20 5 FFBDRO Cn1ccnc1C[C@@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000877066043 1014467660 /nfs/dbraw/zinc/46/76/60/1014467660.db2.gz BCIPPSBDQWDJKB-LEOMRAHMSA-N 1 0 366.425 2.802 20 5 FFBDRO C[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[C@@H](O)c1cccc(F)c1 ZINC000877084181 1014472052 /nfs/dbraw/zinc/47/20/52/1014472052.db2.gz QASUGLRVYVOBGE-BFUOFWGJSA-N 1 0 374.416 2.809 20 5 FFBDRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000108302197 978460398 /nfs/dbraw/zinc/46/03/98/978460398.db2.gz XSADLBKDTCXPCO-MRXNPFEDSA-N 1 0 372.469 2.799 20 5 FFBDRO C[C@@H](O)[C@](C)(C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)Cc1ccccc1 ZINC000877473243 1014593539 /nfs/dbraw/zinc/59/35/39/1014593539.db2.gz JHEXTIHILLXHJV-MRTGAJDVSA-N 1 0 358.442 2.714 20 5 FFBDRO C[C@H]1[C@@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CCN1Cc1ccccc1 ZINC000877535021 1014616675 /nfs/dbraw/zinc/61/66/75/1014616675.db2.gz RTWHWENNVANOTN-TXIZYHGNSA-N 1 0 355.442 2.747 20 5 FFBDRO C[NH+](C)CCOc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2N)cc1F ZINC001299189513 980792736 /nfs/dbraw/zinc/79/27/36/980792736.db2.gz YABKNOHGKZYQMF-UHFFFAOYSA-N 1 0 362.361 2.509 20 5 FFBDRO COc1cc(CN2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000877743306 1014705020 /nfs/dbraw/zinc/70/50/20/1014705020.db2.gz JNIOJSKHEXBNCV-AAEUAGOBSA-N 1 0 371.384 2.731 20 5 FFBDRO C[C@H](C[NH2+]Cc1ccccc1OCC(=O)N(C)C)c1ccccc1[N+](=O)[O-] ZINC000897469879 981170486 /nfs/dbraw/zinc/17/04/86/981170486.db2.gz SQQAGHQXUNJDDZ-OAHLLOKOSA-N 1 0 371.437 2.955 20 5 FFBDRO c1cnc2c(c1)ccc1ccc(-c3noc([C@@H]4C[NH2+]C[C@@H]5CCO[C@@H]54)n3)nc12 ZINC001211932490 981204854 /nfs/dbraw/zinc/20/48/54/981204854.db2.gz WXWHFIRMRNMPDF-KHYOSLBOSA-N 1 0 373.416 2.925 20 5 FFBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000129309323 981904321 /nfs/dbraw/zinc/90/43/21/981904321.db2.gz HTUWXCSYZJYUMM-APWZRJJASA-N 1 0 355.442 2.832 20 5 FFBDRO C[N@@H+]1CCC[C@H]2CN(Cc3nnc(-c4ccccc4[N+](=O)[O-])o3)CC[C@@H]21 ZINC000878198466 1014910557 /nfs/dbraw/zinc/91/05/57/1014910557.db2.gz WWELDKVQOINJIB-ZFWWWQNUSA-N 1 0 357.414 2.561 20 5 FFBDRO CCC(CC)[C@@H](CNc1nc2ccccn2c1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000029147586 984100497 /nfs/dbraw/zinc/10/04/97/984100497.db2.gz SSEXCBOSFVCETI-OAHLLOKOSA-N 1 0 361.446 2.791 20 5 FFBDRO Cn1ncc2c1CCC[C@H]2[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000764886328 984784848 /nfs/dbraw/zinc/78/48/48/984784848.db2.gz QPOWADMDMFUWKW-GOSISDBHSA-N 1 0 355.442 2.964 20 5 FFBDRO Cn1cc(C[NH2+]C[C@@H](O)c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000171048850 985207862 /nfs/dbraw/zinc/20/78/62/985207862.db2.gz GZRBPAPFICHVDX-GOSISDBHSA-N 1 0 352.394 2.819 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ncn(CN3CCC[N@@H+](C4CCCC4)CC3)n2)cc1 ZINC000172511998 985572735 /nfs/dbraw/zinc/57/27/35/985572735.db2.gz NMRZGUOZNYITKT-UHFFFAOYSA-N 1 0 370.457 2.761 20 5 FFBDRO O=C1CCCCN1CCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000765844390 986708410 /nfs/dbraw/zinc/70/84/10/986708410.db2.gz GQDQIZKCPBDSSD-UHFFFAOYSA-N 1 0 360.458 2.556 20 5 FFBDRO COc1ccc(C[C@H](C)[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000765849391 986737765 /nfs/dbraw/zinc/73/77/65/986737765.db2.gz PZFQJGHSXPJKNP-GUYCJALGSA-N 1 0 360.410 2.866 20 5 FFBDRO COc1ccc(C[C@@H](C)[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000765849389 986738058 /nfs/dbraw/zinc/73/80/58/986738058.db2.gz PZFQJGHSXPJKNP-CXAGYDPISA-N 1 0 360.410 2.866 20 5 FFBDRO Cc1ccc(Br)c(OC(=O)C[C@@H](O)C[N+](C)(C)C)c1Cl ZINC001233957584 986784840 /nfs/dbraw/zinc/78/48/40/986784840.db2.gz XKHAIMLNAVMVPK-SNVBAGLBSA-N 1 0 365.675 2.774 20 5 FFBDRO CCOC(=O)Cc1ccc(N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000826076052 1015251918 /nfs/dbraw/zinc/25/19/18/1015251918.db2.gz LPEVZAKYDGFQCD-ZBFHGGJFSA-N 1 0 361.442 2.763 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H]1[C@@H](O)c1ccccc1 ZINC000879244540 1015435654 /nfs/dbraw/zinc/43/56/54/1015435654.db2.gz QZKMEIVRRIXDRB-KPFFTGBYSA-N 1 0 372.421 2.533 20 5 FFBDRO COc1cccc(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000194368613 989220455 /nfs/dbraw/zinc/22/04/55/989220455.db2.gz YNQZFGNMJRVDTI-INIZCTEOSA-N 1 0 369.421 2.998 20 5 FFBDRO Nc1ccc(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000031566122 989474401 /nfs/dbraw/zinc/47/44/01/989474401.db2.gz NRAFPHGYJVZKDN-INIZCTEOSA-N 1 0 354.410 2.571 20 5 FFBDRO CC(C)[C@H](C)NC(=O)C1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000153833753 989734868 /nfs/dbraw/zinc/73/48/68/989734868.db2.gz YZRXDZBDYNQQOR-KBXCAEBGSA-N 1 0 363.458 2.501 20 5 FFBDRO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC[NH+](Cc2ccc(C(F)F)cc2)CC1 ZINC001005383678 989741524 /nfs/dbraw/zinc/74/15/24/989741524.db2.gz VHHSDPQTYYJULF-HZPDHXFCSA-N 1 0 367.396 2.712 20 5 FFBDRO CC(C)c1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1 ZINC001034643098 990147484 /nfs/dbraw/zinc/14/74/84/990147484.db2.gz JUTKWKGJDJKEFS-NCXUSEDFSA-N 1 0 359.470 2.992 20 5 FFBDRO Cc1ccc(C[NH2+]Cc2ccc(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cc2)c(C)c1 ZINC001034816278 990276097 /nfs/dbraw/zinc/27/60/97/990276097.db2.gz KUNUNEOPEHPSFP-WOJBJXKFSA-N 1 0 367.449 2.875 20 5 FFBDRO CC(C)(C)OC(=O)NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000705628840 990477855 /nfs/dbraw/zinc/47/78/55/990477855.db2.gz CWFJPPLNBPQZQI-UHFFFAOYSA-N 1 0 365.430 2.758 20 5 FFBDRO Cn1nnc2c1C[C@H]([NH2+]Cc1ccc(-c3ccccc3[N+](=O)[O-])o1)CC2 ZINC000922994477 990784641 /nfs/dbraw/zinc/78/46/41/990784641.db2.gz UTWGOJUWNVHZKS-GFCCVEGCSA-N 1 0 353.382 2.630 20 5 FFBDRO O=C(CCCC[NH+]1CCCC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000920768056 990917329 /nfs/dbraw/zinc/91/73/29/990917329.db2.gz PXMNOZVXDAROOE-UHFFFAOYSA-N 1 0 360.458 2.510 20 5 FFBDRO COc1cccc(C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000195438094 990945103 /nfs/dbraw/zinc/94/51/03/990945103.db2.gz ZHFOXTKVWXXZOS-HNNXBMFYSA-N 1 0 361.373 2.775 20 5 FFBDRO C[NH+](C)Cc1ccc(CNC(=O)NCc2ccccc2[N+](=O)[O-])cc1F ZINC000135064232 991142857 /nfs/dbraw/zinc/14/28/57/991142857.db2.gz UCMWPEJDOOTPIH-UHFFFAOYSA-N 1 0 360.389 2.795 20 5 FFBDRO Cc1ccc(NCCCNC(=O)C[C@H]([NH3+])c2ccccc2)c([N+](=O)[O-])c1 ZINC000237667281 991299465 /nfs/dbraw/zinc/29/94/65/991299465.db2.gz WSOBKYIPMLRHFU-INIZCTEOSA-N 1 0 356.426 2.912 20 5 FFBDRO CCCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000068964556 991554928 /nfs/dbraw/zinc/55/49/28/991554928.db2.gz PBCIAAFSNOMPBT-GJZGRUSLSA-N 1 0 373.457 2.919 20 5 FFBDRO O=C(NCC1([NH2+]Cc2ccc3ccccc3c2)CCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001484635149 991712924 /nfs/dbraw/zinc/71/29/24/991712924.db2.gz WPPSLFYNPKZFHK-QZTJIDSGSA-N 1 0 353.422 2.634 20 5 FFBDRO CC1([NH+]2CCCCC2)CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000879949478 1015716233 /nfs/dbraw/zinc/71/62/33/1015716233.db2.gz WZTOKOIHJFFTLV-UHFFFAOYSA-N 1 0 360.458 2.534 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCCN(c2cc[nH+]cc2)CC1 ZINC000880378359 1015820836 /nfs/dbraw/zinc/82/08/36/1015820836.db2.gz BUERMNORSAQSRB-UHFFFAOYSA-N 1 0 354.410 2.959 20 5 FFBDRO COC(=O)[C@@H](C)Oc1ccc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)cc1 ZINC000809735012 994585739 /nfs/dbraw/zinc/58/57/39/994585739.db2.gz PYVMWXHQTQFISG-CQSZACIVSA-N 1 0 373.409 2.500 20 5 FFBDRO C[C@@H](CN1CCOCC1)NC(=O)Nc1cc([N+](=O)[O-])ccc1C(C)(C)C ZINC000880706447 1015950617 /nfs/dbraw/zinc/95/06/17/1015950617.db2.gz LJLQIJKNAFRPRQ-ZDUSSCGKSA-N 1 0 364.446 2.735 20 5 FFBDRO O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000826752359 1016047779 /nfs/dbraw/zinc/04/77/79/1016047779.db2.gz ZAYJUYNUIWGHFT-KFKAGJAMSA-N 1 0 357.454 2.937 20 5 FFBDRO O=C(CCc1cc(F)ccc1[N+](=O)[O-])NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000826750585 1016059477 /nfs/dbraw/zinc/05/94/77/1016059477.db2.gz GZDFMFCAZUHCFE-OAHLLOKOSA-N 1 0 363.433 2.905 20 5 FFBDRO CCN(C)C(=O)[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C(C)C ZINC000824683980 997052269 /nfs/dbraw/zinc/05/22/69/997052269.db2.gz ZYVQQEONBOCBSW-SFHVURJKSA-N 1 0 362.474 2.656 20 5 FFBDRO Cc1cccc(CN(CC[NH+](C)C)C(=O)c2ccc([N+](=O)[O-])cc2N)c1 ZINC001143776006 997660408 /nfs/dbraw/zinc/66/04/08/997660408.db2.gz IHESRWGVFGWWAC-UHFFFAOYSA-N 1 0 356.426 2.689 20 5 FFBDRO C[C@H]([NH2+]C[C@@](C)(O)CN(C)C(=O)OC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000844335458 997792920 /nfs/dbraw/zinc/79/29/20/997792920.db2.gz VTLFQWYREFJZBS-SCLBCKFNSA-N 1 0 367.446 2.863 20 5 FFBDRO O=C(NC1(C2CC[NH+](C/C=C\c3ccccc3)CC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001000152901 1016247788 /nfs/dbraw/zinc/24/77/88/1016247788.db2.gz GUOQSPXTPOBMHC-ZSKSOVMSSA-N 1 0 369.465 2.726 20 5 FFBDRO Cc1cc(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)c(N)c([N+](=O)[O-])c1 ZINC000734178420 999222921 /nfs/dbraw/zinc/22/29/21/999222921.db2.gz XSJUHHLDMVWHGO-MRXNPFEDSA-N 1 0 368.437 2.880 20 5 FFBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2F)[C@H](C)C1 ZINC000734401464 999284187 /nfs/dbraw/zinc/28/41/87/999284187.db2.gz HKJJHSHNKWYUTF-DYVFJYSZSA-N 1 0 367.421 2.601 20 5 FFBDRO CC[C@H]1CCC[N@H+](CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000738255503 999623345 /nfs/dbraw/zinc/62/33/45/999623345.db2.gz QBXKQKVZRUCHHW-AWEZNQCLSA-N 1 0 360.414 2.833 20 5 FFBDRO CC[C@@H]1CCC[N@H+](CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000738255505 999623388 /nfs/dbraw/zinc/62/33/88/999623388.db2.gz QBXKQKVZRUCHHW-CQSZACIVSA-N 1 0 360.414 2.833 20 5 FFBDRO C[C@H](C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2)[NH+]1[C@H](C)CC[C@H]1C ZINC000741015320 999702722 /nfs/dbraw/zinc/70/27/22/999702722.db2.gz ADSASBOKVPBLPS-JHJVBQTASA-N 1 0 364.398 2.766 20 5 FFBDRO Cc1nn(CN2C[C@@H]([NH+](C)C)Cc3ccccc32)c2ncc([N+](=O)[O-])cc12 ZINC000766340888 999966286 /nfs/dbraw/zinc/96/62/86/999966286.db2.gz SGKUQRCCFXBPLK-INIZCTEOSA-N 1 0 366.425 2.598 20 5 FFBDRO [NH3+]Cc1cccc(-c2nnn(-c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)n2)c1 ZINC001168885270 1000006592 /nfs/dbraw/zinc/00/65/92/1000006592.db2.gz VIWUGTGNXGXLJP-UHFFFAOYSA-N 1 0 364.287 2.715 20 5 FFBDRO CCN(CC)C(=O)[C@]1(c2ccccc2)C[C@@H]1C[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168985864 1000012733 /nfs/dbraw/zinc/01/27/33/1000012733.db2.gz VIOGQQCVQLEIFB-RBAQFSTRSA-N 1 0 373.497 2.848 20 5 FFBDRO CC(C)(C)OC(=O)N1CC[C@H](C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)[C@@H](F)C1 ZINC001168970385 1000013553 /nfs/dbraw/zinc/01/35/53/1000013553.db2.gz GZWVLDSANPMKAA-YJNKXOJESA-N 1 0 359.442 2.617 20 5 FFBDRO COc1cc(NC(=O)C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)cc2ccccc21 ZINC001169004958 1000015143 /nfs/dbraw/zinc/01/51/43/1000015143.db2.gz SROGNQZGEPBUEQ-HIFRSBDPSA-N 1 0 357.410 2.822 20 5 FFBDRO COc1ccc(CCN2CCC([NH2+][C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)cc1 ZINC001168987860 1000015956 /nfs/dbraw/zinc/01/59/56/1000015956.db2.gz KXMWPFYMDGZPIS-MJGOQNOKSA-N 1 0 361.486 2.737 20 5 FFBDRO COc1ccc(Cl)cc1N1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169037554 1000016624 /nfs/dbraw/zinc/01/66/24/1000016624.db2.gz SKMIGYVYUVHDAW-UKRRQHHQSA-N 1 0 353.850 2.916 20 5 FFBDRO O=C1OC2(CN1c1ccccc1)CC[NH+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169038254 1000016990 /nfs/dbraw/zinc/01/69/90/1000016990.db2.gz XJZBIBHPFMJOLS-NVXWUHKLSA-N 1 0 359.426 2.923 20 5 FFBDRO CN1C(=O)[C@H](c2ccccc2)CC12CC[NH+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169018430 1000017215 /nfs/dbraw/zinc/01/72/15/1000017215.db2.gz BEPXMIHACRKONK-WDSOQIARSA-N 1 0 371.481 2.912 20 5 FFBDRO CS(=O)(=O)c1ccc(C2CC[NH+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)cc1 ZINC001169057959 1000019332 /nfs/dbraw/zinc/01/93/32/1000019332.db2.gz ZMFPSAPFMPMNCM-PBHICJAKSA-N 1 0 366.483 2.715 20 5 FFBDRO Cc1ccc2c(ccnc2NCc2ncn3c2C[NH2+]CCC3)c1[N+](=O)[O-] ZINC001169241381 1000034093 /nfs/dbraw/zinc/03/40/93/1000034093.db2.gz RJAXAXBXBSPRDR-UHFFFAOYSA-N 1 0 352.398 2.753 20 5 FFBDRO [NH3+]CCc1cn(-c2nc(C3CC3)nc(Cl)c2[N+](=O)[O-])c2cccnc12 ZINC001169702925 1000070527 /nfs/dbraw/zinc/07/05/27/1000070527.db2.gz MOZCMZWZYCNGLR-UHFFFAOYSA-N 1 0 358.789 2.756 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ncn(C[N@@H+]3CCCC4(CCOCC4)C3)n2)cc1 ZINC000742160668 1000141732 /nfs/dbraw/zinc/14/17/32/1000141732.db2.gz FDLXNCSMAMRJQQ-UHFFFAOYSA-N 1 0 357.414 2.703 20 5 FFBDRO CC(C)C[N@H+](C)CCCNC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001144839320 1000328044 /nfs/dbraw/zinc/32/80/44/1000328044.db2.gz HJAMFPKMRNDFIM-UHFFFAOYSA-N 1 0 359.430 2.693 20 5 FFBDRO C[N@H+](CCOC(=O)COc1ccccc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000769048751 1000413968 /nfs/dbraw/zinc/41/39/68/1000413968.db2.gz KJNVISPDCKEYPN-UHFFFAOYSA-N 1 0 362.357 2.788 20 5 FFBDRO O=C(CC[N@@H+]1CC[C@H](c2ccncc2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000846908637 1000485099 /nfs/dbraw/zinc/48/50/99/1000485099.db2.gz WDHXKEFQUAWFLM-AWEZNQCLSA-N 1 0 358.373 2.947 20 5 FFBDRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000846972042 1000489921 /nfs/dbraw/zinc/48/99/21/1000489921.db2.gz LMGZPSISSDAFIJ-CYBMUJFWSA-N 1 0 364.402 2.676 20 5 FFBDRO CC(C)Cc1ccc(C[N@H+]2CC=C(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1 ZINC001000675177 1016423518 /nfs/dbraw/zinc/42/35/18/1016423518.db2.gz SOMNMHPBAOWGDL-WOJBJXKFSA-N 1 0 371.481 2.799 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CC[C@H](OCC[NH+]3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000771232604 1001045283 /nfs/dbraw/zinc/04/52/83/1001045283.db2.gz ADANBZFUZDTNLJ-HNNXBMFYSA-N 1 0 364.402 2.584 20 5 FFBDRO COc1cccc([C@H](O)C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000788431355 1001799440 /nfs/dbraw/zinc/79/94/40/1001799440.db2.gz SZBQYXYIVKMGDJ-GVDBMIGSSA-N 1 0 360.414 2.607 20 5 FFBDRO COCC[N@H+](Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1)[C@H]1CC[C@H](C)C1 ZINC000790477748 1002387474 /nfs/dbraw/zinc/38/74/74/1002387474.db2.gz JHWAFSBIOYLKEK-HOCLYGCPSA-N 1 0 359.430 2.948 20 5 FFBDRO C[C@H]1CCC[N@H+](CCNc2c3cc([N+](=O)[O-])ccc3ncc2[N+](=O)[O-])C1 ZINC001184840333 1002734042 /nfs/dbraw/zinc/73/40/42/1002734042.db2.gz YHBNJLYWSMAIOI-LBPRGKRZSA-N 1 0 359.386 2.617 20 5 FFBDRO C[C@@H]1CCC[N@H+](CCNc2c3cc([N+](=O)[O-])ccc3ncc2[N+](=O)[O-])C1 ZINC001184840332 1002734361 /nfs/dbraw/zinc/73/43/61/1002734361.db2.gz YHBNJLYWSMAIOI-GFCCVEGCSA-N 1 0 359.386 2.617 20 5 FFBDRO CC[N@@H+]1CCCC[C@H]1CNc1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-] ZINC001185338867 1002922094 /nfs/dbraw/zinc/92/20/94/1002922094.db2.gz MXHXNODWORBUSL-ZDUSSCGKSA-N 1 0 359.386 2.759 20 5 FFBDRO COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2COc3ccccc3O2)c([N+](=O)[O-])c1 ZINC001170297557 1003091802 /nfs/dbraw/zinc/09/18/02/1003091802.db2.gz PHNPLAZXHAJNED-CZUORRHYSA-N 1 0 358.394 2.964 20 5 FFBDRO COc1ccc(C[C@@H](C)[NH2+][C@@H]2CCN(Cc3ccccn3)C2)c([N+](=O)[O-])c1 ZINC001170318646 1003107696 /nfs/dbraw/zinc/10/76/96/1003107696.db2.gz QSBKOSSNHFIPHR-CRAIPNDOSA-N 1 0 370.453 2.794 20 5 FFBDRO C[NH+](C)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)c1cccc(C(F)(F)F)c1 ZINC001170320544 1003107912 /nfs/dbraw/zinc/10/79/12/1003107912.db2.gz MNQKKSHLDIGUPL-CYBMUJFWSA-N 1 0 370.331 2.974 20 5 FFBDRO COc1ccc(C[C@H](C)[NH2+]Cc2ccnc(OC(C)C)n2)c([N+](=O)[O-])c1 ZINC001170323695 1003111293 /nfs/dbraw/zinc/11/12/93/1003111293.db2.gz LKZYHXKNHSUNOE-ZDUSSCGKSA-N 1 0 360.414 2.901 20 5 FFBDRO COc1ccc(C[C@H](C)N2CCC([NH3+])(c3cccnc3)CC2)c([N+](=O)[O-])c1 ZINC001170325934 1003113754 /nfs/dbraw/zinc/11/37/54/1003113754.db2.gz YNZNFSSSJYPEMK-HNNXBMFYSA-N 1 0 370.453 2.879 20 5 FFBDRO COC(=O)C[C@H]1CCC[N@@H+]([C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170352782 1003121455 /nfs/dbraw/zinc/12/14/55/1003121455.db2.gz QCYBNLMULHDCTR-ZIAGYGMSSA-N 1 0 350.415 2.810 20 5 FFBDRO COc1ccc(C[C@@H](C)[N@@H+]2CCCC[C@]23CC(=O)N(C)C3)c([N+](=O)[O-])c1 ZINC001170340479 1003130259 /nfs/dbraw/zinc/13/02/59/1003130259.db2.gz MBPQAXMAKZZVGF-AUUYWEPGSA-N 1 0 361.442 2.621 20 5 FFBDRO COc1ccc(C[C@@H](C)[NH+]2CCC(NC(=O)C(C)C)CC2)c([N+](=O)[O-])c1 ZINC001170345820 1003132454 /nfs/dbraw/zinc/13/24/54/1003132454.db2.gz MJXDVBIVELLGTM-CQSZACIVSA-N 1 0 363.458 2.771 20 5 FFBDRO C[C@@H]1CC[C@H]([NH2+]CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)[C@H](C)C1 ZINC000775683862 1003636764 /nfs/dbraw/zinc/63/67/64/1003636764.db2.gz SUEVVDWMTIDCEB-MDZRGWNJSA-N 1 0 374.485 2.658 20 5 FFBDRO CCN(C)C(=O)OC[C@@H]1CCCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000805762630 1004136795 /nfs/dbraw/zinc/13/67/95/1004136795.db2.gz LSFOMMDFRVXPJJ-DLBZAZTESA-N 1 0 365.430 2.571 20 5 FFBDRO COc1ccc([C@@H](C)[NH2+]CCn2ccc([N+](=O)[O-])n2)c(Br)c1 ZINC001192516197 1004183791 /nfs/dbraw/zinc/18/37/91/1004183791.db2.gz VIXASBXDWRGTBZ-SNVBAGLBSA-N 1 0 369.219 2.913 20 5 FFBDRO C[C@H](C(=O)N1CC[NH2+][C@@H](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC001170546825 1004782234 /nfs/dbraw/zinc/78/22/34/1004782234.db2.gz HJGPTFRZWNGLQQ-HOCLYGCPSA-N 1 0 371.412 2.881 20 5 FFBDRO COc1cc(C[C@H](CO)C[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc(OC)c1 ZINC001200890681 1005140806 /nfs/dbraw/zinc/14/08/06/1005140806.db2.gz CQPOGUSGXRNCTL-INIZCTEOSA-N 1 0 374.437 2.861 20 5 FFBDRO COc1cc(OC)cc(N2CC[C@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2=O)c1 ZINC001200961245 1005148211 /nfs/dbraw/zinc/14/82/11/1005148211.db2.gz VRPHFQHOGRFOIJ-SFHVURJKSA-N 1 0 371.393 2.507 20 5 FFBDRO COc1cc(Nc2cc(O)cc([N+](=O)[O-])c2)ccc1N1CC[NH+](C)CC1 ZINC001201231087 1005180647 /nfs/dbraw/zinc/18/06/47/1005180647.db2.gz CVUNSPIWRMPZEA-UHFFFAOYSA-N 1 0 358.398 2.804 20 5 FFBDRO CC(C)C(=O)NCCC[NH2+]Cc1c(Br)cccc1[N+](=O)[O-] ZINC001201449806 1005221515 /nfs/dbraw/zinc/22/15/15/1005221515.db2.gz LOSPOVABIBKATB-UHFFFAOYSA-N 1 0 358.236 2.609 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2C[C@H]3CN(c4ccccc4)C[C@H]3C2)cc1 ZINC000776279507 1005345714 /nfs/dbraw/zinc/34/57/14/1005345714.db2.gz XUVMBOVTWRNKKD-FUHIMQAGSA-N 1 0 353.422 2.696 20 5 FFBDRO O=C(N[C@H]1CC[C@H](C[NH2+]Cc2cc3ccccc3o2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001050326296 1016971552 /nfs/dbraw/zinc/97/15/52/1016971552.db2.gz WLCDBCAMLGREGA-MOIQIXESSA-N 1 0 371.437 2.863 20 5 FFBDRO CC[C@H](C)C[N@H+](CC)CN1C(=O)N[C@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000748263747 1017005693 /nfs/dbraw/zinc/00/56/93/1017005693.db2.gz XPSWQEBPCFPYAY-SCLBCKFNSA-N 1 0 362.430 2.687 20 5 FFBDRO O=[N+]([O-])c1cccc([C@@H](O)CN2CCC([NH2+]Cc3ccccc3)CC2)c1 ZINC000852117317 1005942689 /nfs/dbraw/zinc/94/26/89/1005942689.db2.gz YSLZEQDOSROACD-FQEVSTJZSA-N 1 0 355.438 2.882 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCC[C@H](c3nnc4ccccn43)C2)cc1 ZINC000776584280 1005954811 /nfs/dbraw/zinc/95/48/11/1005954811.db2.gz KAZOSAJAJKXDFE-RDJZCZTQSA-N 1 0 367.409 2.551 20 5 FFBDRO CCN(CC)C(=O)C1([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000776593138 1006005983 /nfs/dbraw/zinc/00/59/83/1006005983.db2.gz PKQSCSLNCYNUKS-QGZVFWFLSA-N 1 0 363.458 2.789 20 5 FFBDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776592671 1006008931 /nfs/dbraw/zinc/00/89/31/1006008931.db2.gz SFBRWOHOVBEPHH-PMACEKPBSA-N 1 0 355.438 2.835 20 5 FFBDRO C[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(-n2ccnn2)cc1 ZINC000776606491 1006102777 /nfs/dbraw/zinc/10/27/77/1006102777.db2.gz XGPKSSUAFPHVKE-SCLBCKFNSA-N 1 0 353.382 2.560 20 5 FFBDRO O=C1CCCN1C[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000776605804 1006116759 /nfs/dbraw/zinc/11/67/59/1006116759.db2.gz ONZDHTGJMCQGKR-RBUKOAKNSA-N 1 0 369.421 2.582 20 5 FFBDRO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000881479279 1006122710 /nfs/dbraw/zinc/12/27/10/1006122710.db2.gz UAPLDPXCZXEBET-OJSRQPNCSA-N 1 0 373.453 2.758 20 5 FFBDRO CCc1n[nH]c(C(=O)N2CCC(CC)([NH+]3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000881626673 1006158617 /nfs/dbraw/zinc/15/86/17/1006158617.db2.gz QCDNELSOCKCACH-UHFFFAOYSA-N 1 0 363.462 2.751 20 5 FFBDRO CCC1([NH+]2CCCCC2)CCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC1 ZINC000881625495 1006159562 /nfs/dbraw/zinc/15/95/62/1006159562.db2.gz RDXMWEGYMMCRTH-UHFFFAOYSA-N 1 0 362.430 2.566 20 5 FFBDRO CC(C)(C)OC(=O)[C@@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000853133311 1006307796 /nfs/dbraw/zinc/30/77/96/1006307796.db2.gz JETNSQSEMMCIAZ-DLBZAZTESA-N 1 0 364.442 2.976 20 5 FFBDRO Cc1c(CO)cc([N+](=O)[O-])c(NC[C@@H](C(C)C)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000853135148 1006309788 /nfs/dbraw/zinc/30/97/88/1006309788.db2.gz ZZJOLZSFKSGXGP-HNNXBMFYSA-N 1 0 366.418 2.836 20 5 FFBDRO O=[N+]([O-])c1cn(CN2CCC(C[NH+]3CCCC3)CC2)nc1-c1ccccn1 ZINC000853496998 1006413993 /nfs/dbraw/zinc/41/39/93/1006413993.db2.gz MZFUTTMSFMWKTH-UHFFFAOYSA-N 1 0 370.457 2.619 20 5 FFBDRO CCN1CCCC[C@H]1C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000111392604 1006427340 /nfs/dbraw/zinc/42/73/40/1006427340.db2.gz FSSVGRGMWKJEJA-SFHVURJKSA-N 1 0 357.458 2.959 20 5 FFBDRO O=[N+]([O-])c1c2ccncc2ccc1N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000882727800 1006491427 /nfs/dbraw/zinc/49/14/27/1006491427.db2.gz FYFBBIDHFQYLAW-MRXNPFEDSA-N 1 0 356.426 2.880 20 5 FFBDRO C/C(=C/C(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000854333303 1006781957 /nfs/dbraw/zinc/78/19/57/1006781957.db2.gz PNAPOKBRCHZSTH-ZPWFJYARSA-N 1 0 373.453 2.711 20 5 FFBDRO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NCCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001137204357 1007304018 /nfs/dbraw/zinc/30/40/18/1007304018.db2.gz DALGMRAQLFJWGT-ZIAGYGMSSA-N 1 0 367.421 2.662 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c1C ZINC000884382476 1007404167 /nfs/dbraw/zinc/40/41/67/1007404167.db2.gz KCFKDWGABQPBFF-UXLLHSPISA-N 1 0 361.442 2.570 20 5 FFBDRO CCC1([NH+]2CCC2)CCN(Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)CC1 ZINC000884475024 1007458074 /nfs/dbraw/zinc/45/80/74/1007458074.db2.gz URHWEXQEDZOGHJ-UHFFFAOYSA-N 1 0 370.457 2.761 20 5 FFBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)CC1 ZINC000818008853 1007851660 /nfs/dbraw/zinc/85/16/60/1007851660.db2.gz KBFUMAJRVBCKMC-HZPDHXFCSA-N 1 0 374.485 2.888 20 5 FFBDRO CC[N@H+](C)Cc1cc(O[C@H]2CCN(c3nc(C)ccc3[N+](=O)[O-])C2)ccn1 ZINC000856534344 1007872259 /nfs/dbraw/zinc/87/22/59/1007872259.db2.gz ZNMOOHBTIZSIME-KRWDZBQOSA-N 1 0 371.441 2.803 20 5 FFBDRO CC[C@@H](CN1CCOCC1)[NH2+]Cc1c(Br)cccc1[N+](=O)[O-] ZINC001203733042 1007875061 /nfs/dbraw/zinc/87/50/61/1007875061.db2.gz FKHOYYYLUHWLFW-LBPRGKRZSA-N 1 0 372.263 2.558 20 5 FFBDRO O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000818592048 1007961949 /nfs/dbraw/zinc/96/19/49/1007961949.db2.gz MWWCSGBKMGWATC-HXUWFJFHSA-N 1 0 372.469 2.801 20 5 FFBDRO COc1cccc(N2CC[C@@H]([NH2+]C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)c1 ZINC000819012556 1007998755 /nfs/dbraw/zinc/99/87/55/1007998755.db2.gz KUFYSDFLAVPSLW-DNVCBOLYSA-N 1 0 357.410 2.505 20 5 FFBDRO Cc1ccc(OC[C@H](C)[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000818982831 1007998965 /nfs/dbraw/zinc/99/89/65/1007998965.db2.gz SUORTACNMAWVJK-HOTGVXAUSA-N 1 0 360.410 2.700 20 5 FFBDRO COc1ccccc1N1CC[C@@H](C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000818988596 1008001694 /nfs/dbraw/zinc/00/16/94/1008001694.db2.gz CGDILBYOZUDGQM-KXBFYZLASA-N 1 0 371.437 2.753 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]CCC(=O)Nc1ccc(N(C)C)cc1 ZINC000818967816 1008010816 /nfs/dbraw/zinc/01/08/16/1008010816.db2.gz CORYWHHMKYWQIS-UHFFFAOYSA-N 1 0 372.425 2.788 20 5 FFBDRO COc1cccc(N2CCC[C@@H]([NH2+]C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)c1 ZINC000819082426 1008029868 /nfs/dbraw/zinc/02/98/68/1008029868.db2.gz TUQMSWSMSAWAGQ-UZLBHIALSA-N 1 0 371.437 2.895 20 5 FFBDRO Cc1ccc(NCCC[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC000819092870 1008031442 /nfs/dbraw/zinc/03/14/42/1008031442.db2.gz GJLSSEFYZKZMKS-SFHVURJKSA-N 1 0 374.397 2.937 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H]2CCN(c3c(F)cccc3F)C2)cc1 ZINC000819147905 1008043086 /nfs/dbraw/zinc/04/30/86/1008043086.db2.gz XIHJJVKMWORDGQ-SUMWQHHRSA-N 1 0 363.364 2.775 20 5 FFBDRO O=C(N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857762877 1008204015 /nfs/dbraw/zinc/20/40/15/1008204015.db2.gz GZKIBKFYOGEXKB-WFASDCNBSA-N 1 0 369.368 2.557 20 5 FFBDRO O=C(N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857763060 1008204172 /nfs/dbraw/zinc/20/41/72/1008204172.db2.gz NNUSYSVKRYEVGN-WFASDCNBSA-N 1 0 369.368 2.557 20 5 FFBDRO COc1cc(CC[NH2+]C[C@@H](O)c2ccc(F)cc2)c([N+](=O)[O-])cc1OC ZINC000819975523 1008257067 /nfs/dbraw/zinc/25/70/67/1008257067.db2.gz QYGDTNUSOAUUFH-MRXNPFEDSA-N 1 0 364.373 2.617 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000820548777 1008347653 /nfs/dbraw/zinc/34/76/53/1008347653.db2.gz AWDAORXVLBLTOB-UHFFFAOYSA-N 1 0 363.458 2.831 20 5 FFBDRO CC1([NH+]2CCOCC2)CCN(c2ccc([N+](=O)[O-])cc2OC(F)F)CC1 ZINC000858762586 1008417847 /nfs/dbraw/zinc/41/78/47/1008417847.db2.gz DILXQPZJAQGBHF-UHFFFAOYSA-N 1 0 371.384 2.887 20 5 FFBDRO O=C(OCC[NH+]1CCCCC1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000858985734 1008460585 /nfs/dbraw/zinc/46/05/85/1008460585.db2.gz NPYJWYNLUOWNOJ-UHFFFAOYSA-N 1 0 361.442 2.840 20 5 FFBDRO O=[N+]([O-])c1ccc(OCCC[N@H+]2CC3(CCOCC3)CC[C@@H]2CO)cc1 ZINC000859519356 1008539674 /nfs/dbraw/zinc/53/96/74/1008539674.db2.gz MMEXGYNIWZOKOV-QGZVFWFLSA-N 1 0 364.442 2.617 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000822516209 1008665335 /nfs/dbraw/zinc/66/53/35/1008665335.db2.gz BWLOMWKEGVIDAH-UHFFFAOYSA-N 1 0 357.414 2.927 20 5 FFBDRO COC(=O)[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H]2CCC[C@@H]21 ZINC000859955035 1008744336 /nfs/dbraw/zinc/74/43/36/1008744336.db2.gz RQOMFMINLJHDBN-RBSFLKMASA-N 1 0 363.370 2.667 20 5 FFBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000859960186 1008750237 /nfs/dbraw/zinc/75/02/37/1008750237.db2.gz BRHILWCTEDRARW-MRXNPFEDSA-N 1 0 359.426 2.835 20 5 FFBDRO CCC1([NH+]2CCC2)CCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000886714363 1008841204 /nfs/dbraw/zinc/84/12/04/1008841204.db2.gz ITYYMKKFCMGQAV-SFHVURJKSA-N 1 0 372.469 2.650 20 5 FFBDRO Cc1c(NC(=O)[C@H](C)N2CCCC[C@]3(CC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000886870165 1008908804 /nfs/dbraw/zinc/90/88/04/1008908804.db2.gz RBSBYZYGIDZTKO-HNAYVOBHSA-N 1 0 360.458 2.696 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(Cc2noc([C@@H]3C[C@H]3C3CC[NH2+]CC3)n2)c1 ZINC000823088480 1008912907 /nfs/dbraw/zinc/91/29/07/1008912907.db2.gz KOWXGROVNXRNQJ-LSDHHAIUSA-N 1 0 358.398 2.680 20 5 FFBDRO O=C(NCCCCCC[NH2+]CCCCc1ccccc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001178464731 1008998767 /nfs/dbraw/zinc/99/87/67/1008998767.db2.gz ZSWCBHRSGWGQNO-RTBURBONSA-N 1 0 361.486 2.941 20 5 FFBDRO CC(=O)N1CCC[C@H](C[NH2+]Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC001178620203 1009060477 /nfs/dbraw/zinc/06/04/77/1009060477.db2.gz JHPNZRXZGLWYQO-GFCCVEGCSA-N 1 0 370.247 2.705 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)CN2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)cc1 ZINC000823482769 1009087492 /nfs/dbraw/zinc/08/74/92/1009087492.db2.gz XLAZLBZTUFOKAA-CEWLAPEOSA-N 1 0 367.449 2.835 20 5 FFBDRO CO[C@@H]1C[N@H+](C)[C@@](C)(COC(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)C1 ZINC000861353160 1009371668 /nfs/dbraw/zinc/37/16/68/1009371668.db2.gz MIMAULZURQFLHR-KBXCAEBGSA-N 1 0 366.414 2.648 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCCONC(=O)OC(C)(C)C ZINC001179677437 1009414623 /nfs/dbraw/zinc/41/46/23/1009414623.db2.gz PZDIQPURAFDCTP-UHFFFAOYSA-N 1 0 369.418 2.930 20 5 FFBDRO COc1cc(C[NH2+][C@H]2CCC[C@H]2C(=O)OC(C)(C)C)c([N+](=O)[O-])cc1O ZINC001179746962 1009438364 /nfs/dbraw/zinc/43/83/64/1009438364.db2.gz FXFYCCGJVJVFMU-OLZOCXBDSA-N 1 0 366.414 2.909 20 5 FFBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134871149 1009497140 /nfs/dbraw/zinc/49/71/40/1009497140.db2.gz GYGPZIODBMOILR-QMTMVMCOSA-N 1 0 372.469 2.871 20 5 FFBDRO CN(CC(C)(C)C[NH+](C)C)C(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC001180077882 1009551391 /nfs/dbraw/zinc/55/13/91/1009551391.db2.gz CMMNZMCDNRFWHO-UHFFFAOYSA-N 1 0 374.441 2.568 20 5 FFBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000862631378 1009909315 /nfs/dbraw/zinc/90/93/15/1009909315.db2.gz OPHPGMQNPYKBMB-CQSZACIVSA-N 1 0 365.405 2.636 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c1C ZINC000889655348 1010041996 /nfs/dbraw/zinc/04/19/96/1010041996.db2.gz KKDIHSINUNJAOF-ZMSDIMECSA-N 1 0 361.442 2.535 20 5 FFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCc2cccc3c2OC(F)(F)O3)c1 ZINC000863570091 1010257615 /nfs/dbraw/zinc/25/76/15/1010257615.db2.gz CPPNLPKMHCWTCM-AWEZNQCLSA-N 1 0 366.320 2.782 20 5 FFBDRO Cc1ccc(NC(=O)[C@H](c2ccccc2)N(C)C[C@@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000863567596 1010258158 /nfs/dbraw/zinc/25/81/58/1010258158.db2.gz FVBPHQZTSXEPMM-KDOFPFPSSA-N 1 0 356.426 2.862 20 5 FFBDRO COc1ccc(CN2CC[C@H]2C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000863576945 1010260307 /nfs/dbraw/zinc/26/03/07/1010260307.db2.gz ZEAPTSDRJUOWFD-ICSRJNTNSA-N 1 0 371.437 2.501 20 5 FFBDRO C[C@@H]1[C@@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCN1C(=O)OC(C)(C)C ZINC000863587173 1010263372 /nfs/dbraw/zinc/26/33/72/1010263372.db2.gz SSXRXTDLWLVZSD-UHOFOFEASA-N 1 0 365.430 2.616 20 5 FFBDRO O=C1COc2cc([N+](=O)[O-])c(NC[C@H]3CC[N@@H+]3Cc3ccccc3)cc2N1 ZINC000715740702 1010405699 /nfs/dbraw/zinc/40/56/99/1010405699.db2.gz OTPJWXOKLDONJP-CQSZACIVSA-N 1 0 368.393 2.612 20 5 FFBDRO C[NH+](C)[C@H](CNC(=O)Cc1cccc(F)c1[N+](=O)[O-])Cc1ccccc1 ZINC000864612936 1010526579 /nfs/dbraw/zinc/52/65/79/1010526579.db2.gz XRZLJSCCKRYIKK-INIZCTEOSA-N 1 0 359.401 2.566 20 5 FFBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2C(F)F)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000865648983 1010835716 /nfs/dbraw/zinc/83/57/16/1010835716.db2.gz LOASHKCXFAHNBL-CJNGLKHVSA-N 1 0 368.428 2.995 20 5 FFBDRO CCOCOc1ccc(C[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)cc1 ZINC000865705179 1010845111 /nfs/dbraw/zinc/84/51/11/1010845111.db2.gz JFBSYQTYNREPTC-LJQANCHMSA-N 1 0 360.410 2.965 20 5 FFBDRO O=C1NCCN1Cc1ccc(C[NH2+]CC=Cc2ccccc2[N+](=O)[O-])cc1 ZINC000865816391 1010868687 /nfs/dbraw/zinc/86/86/87/1010868687.db2.gz IEGNNKQIGQECSZ-HWKANZROSA-N 1 0 366.421 2.923 20 5 FFBDRO O=[N+]([O-])c1cc(CO)c(NCC2CC[NH+](Cc3ccncc3)CC2)cc1F ZINC000865937820 1010891820 /nfs/dbraw/zinc/89/18/20/1010891820.db2.gz CQBMLPLEAYJOPM-UHFFFAOYSA-N 1 0 374.416 2.945 20 5 FFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CCCc2c1cnn2CCO ZINC000866245140 1010961052 /nfs/dbraw/zinc/96/10/52/1010961052.db2.gz XRLIAFUSIWKOLI-MLGOLLRUSA-N 1 0 362.405 2.521 20 5 FFBDRO CN(CC[NH+]1CC2(C1)CCOCC2)c1nc2ccccc2cc1[N+](=O)[O-] ZINC000866258520 1010963816 /nfs/dbraw/zinc/96/38/16/1010963816.db2.gz XREQZWIUCDPZEA-UHFFFAOYSA-N 1 0 356.426 2.692 20 5 FFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC1(N2CCCC2)CCOCC1 ZINC000866261017 1010964914 /nfs/dbraw/zinc/96/49/14/1010964914.db2.gz MTGXSOWIQOEPEF-OAHLLOKOSA-N 1 0 365.449 2.900 20 5 FFBDRO C[C@H]([NH2+]Cc1ccc(CN2CCNC2=O)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000866573008 1011017656 /nfs/dbraw/zinc/01/76/56/1011017656.db2.gz FGIPDHPMDQOEPV-AWEZNQCLSA-N 1 0 354.410 2.971 20 5 FFBDRO C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)C1CC[NH2+]CC1 ZINC000868000619 1011141611 /nfs/dbraw/zinc/14/16/11/1011141611.db2.gz SNOIVAISZZFMNP-CQSZACIVSA-N 1 0 360.458 2.703 20 5 FFBDRO O=C(NC1CC[NH+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1)C1CC1 ZINC001172914479 1012095826 /nfs/dbraw/zinc/09/58/26/1012095826.db2.gz GWWKPXDFNQCOMB-SFHVURJKSA-N 1 0 357.454 2.833 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@@H](CO)[C@@H](O)c1ccccc1)CC2 ZINC001172913864 1012097621 /nfs/dbraw/zinc/09/76/21/1012097621.db2.gz ZWYVDBWWVLMVCY-HOJAQTOUSA-N 1 0 356.422 2.526 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1CC[C@@H](Oc3ncccn3)C1)CC2 ZINC001172914093 1012097657 /nfs/dbraw/zinc/09/76/57/1012097657.db2.gz ZBJPWDCENSRFSD-FUHWJXTLSA-N 1 0 354.410 2.786 20 5 FFBDRO CC1(C)CN(C2C[NH+]([C@H]3CCc4ccc([N+](=O)[O-])cc4CC3)C2)CCO1 ZINC001172915972 1012098852 /nfs/dbraw/zinc/09/88/52/1012098852.db2.gz PQXPUTRQYMXOGP-KRWDZBQOSA-N 1 0 359.470 2.637 20 5 FFBDRO COc1ncnc2c1CC[N@@H+]([C@@H]1CCc3ccc([N+](=O)[O-])cc3CC1)C2 ZINC001172915467 1012099879 /nfs/dbraw/zinc/09/98/79/1012099879.db2.gz NBDCRMVSFBYTQT-OAHLLOKOSA-N 1 0 354.410 2.699 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH2+]CCN3CCCCC3)CC2)c(F)c1 ZINC001173007340 1012176078 /nfs/dbraw/zinc/17/60/78/1012176078.db2.gz KYCAGVQMJAFJOM-UHFFFAOYSA-N 1 0 368.428 2.917 20 5 FFBDRO COC[C@@H]1CC[N@@H+](C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)C1 ZINC001173010038 1012180135 /nfs/dbraw/zinc/18/01/35/1012180135.db2.gz LJPQDPJMLKFMRY-GFCCVEGCSA-N 1 0 355.385 2.810 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH+]3CC4(C3)CCOCC4)CC2)c(F)c1 ZINC001173013388 1012184033 /nfs/dbraw/zinc/18/40/33/1012184033.db2.gz RPHWMTAQSHXGDR-UHFFFAOYSA-N 1 0 367.396 2.954 20 5 FFBDRO C[C@]1(O)CCC[N@@H+](C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)C1 ZINC001173018660 1012189012 /nfs/dbraw/zinc/18/90/12/1012189012.db2.gz YQNBAINLPQADSM-KRWDZBQOSA-N 1 0 355.385 2.689 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2CCC[C@](O)(CF)CC2)c1F ZINC001173180159 1012324136 /nfs/dbraw/zinc/32/41/36/1012324136.db2.gz ITYXVFXDQMKBII-SJKOYZFVSA-N 1 0 358.385 2.860 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C[C@@H]2COc3cnccc32)c1F ZINC001173180531 1012324231 /nfs/dbraw/zinc/32/42/31/1012324231.db2.gz RGVNHRDWUOAIHU-NWDGAFQWSA-N 1 0 361.373 2.834 20 5 FFBDRO COC(=O)c1ccc(C[NH3+])n1[C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173182052 1012325992 /nfs/dbraw/zinc/32/59/92/1012325992.db2.gz YWEZFYCDLYXCJD-JTQLQIEISA-N 1 0 365.361 2.593 20 5 FFBDRO CCC1(CC[NH2+][C@@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])OCCO1 ZINC001173187062 1012328717 /nfs/dbraw/zinc/32/87/17/1012328717.db2.gz WBMIANIFRQSSTH-LBPRGKRZSA-N 1 0 356.394 2.806 20 5 FFBDRO COC(=O)[C@H]1CC[C@@H](C)[N@@H+]([C@@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C1 ZINC001173189575 1012332143 /nfs/dbraw/zinc/33/21/43/1012332143.db2.gz KZVXTUDAZFPCSF-AGIUHOORSA-N 1 0 368.405 2.947 20 5 FFBDRO COC(=O)CC[N@H+]([C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-])C1CC1 ZINC001173193148 1012336092 /nfs/dbraw/zinc/33/60/92/1012336092.db2.gz QTXIHPLUFTYQDF-LLVKDONJSA-N 1 0 354.378 2.701 20 5 FFBDRO CC[N@H+]1C[C@H]2CN([C@H](C)Cc3c(F)c(OC)ccc3[N+](=O)[O-])C[C@H]2C1 ZINC001173193918 1012337351 /nfs/dbraw/zinc/33/73/51/1012337351.db2.gz SBGGLIQETRRLJM-MCIONIFRSA-N 1 0 351.422 2.557 20 5 FFBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cn(Cc2ccccn2)cn1 ZINC001173218047 1012352930 /nfs/dbraw/zinc/35/29/30/1012352930.db2.gz AOHRLUDAMPJEKC-HNNXBMFYSA-N 1 0 351.410 2.955 20 5 FFBDRO COC[C@H](C[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1)NC(=O)OC(C)(C)C ZINC001173233930 1012366772 /nfs/dbraw/zinc/36/67/72/1012366772.db2.gz LQOQQIZKWSXBCS-HIFRSBDPSA-N 1 0 367.446 2.655 20 5 FFBDRO CC(C)C[C@H]1CCC[N@@H+]1CN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000748791880 1017653828 /nfs/dbraw/zinc/65/38/28/1017653828.db2.gz JNHUEIIWJJQIRR-APWZRJJASA-N 1 0 374.441 2.830 20 5 FFBDRO CC(C)C[C@H]1CCC[N@@H+]1CN1C(=O)N[C@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000748791894 1017653954 /nfs/dbraw/zinc/65/39/54/1017653954.db2.gz JNHUEIIWJJQIRR-VQIMIIECSA-N 1 0 374.441 2.830 20 5 FFBDRO COc1ccc(COC[C@@H](O)C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000748819946 1017683015 /nfs/dbraw/zinc/68/30/15/1017683015.db2.gz RPYWYASLNAKRKA-KRWDZBQOSA-N 1 0 360.410 2.579 20 5 FFBDRO C[N@@H+]1CC[C@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3N3CCCCC3)CC[C@H]21 ZINC000827364122 1017772916 /nfs/dbraw/zinc/77/29/16/1017772916.db2.gz FSVDXLMXTDJSLZ-MAUKXSAKSA-N 1 0 372.469 2.751 20 5 FFBDRO Cn1nc(C(F)(F)F)cc1C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000926926538 1018294809 /nfs/dbraw/zinc/29/48/09/1018294809.db2.gz BGDPQBUNROJBIE-RYUDHWBXSA-N 1 0 372.351 2.817 20 5 FFBDRO Cn1ccnc1[C@@H]([NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2)c1cccc([N+](=O)[O-])c1 ZINC000926934173 1018299032 /nfs/dbraw/zinc/29/90/32/1018299032.db2.gz DHIHZCLCQVYZON-MVJTYMMSSA-N 1 0 354.410 2.598 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)[nH]cc2-c1nc(-c2ccc3c(n2)CC[NH2+]C3)no1 ZINC001217509494 1032761976 /nfs/dbraw/zinc/76/19/76/1032761976.db2.gz XBZCRROALRVIOV-UHFFFAOYSA-N 1 0 362.349 2.834 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCC[C@@](CO)(c3ccccc3)C2)cc1 ZINC000801580570 1019137578 /nfs/dbraw/zinc/13/75/78/1019137578.db2.gz MZRAKPHZTQPLOD-WOJBJXKFSA-N 1 0 356.422 2.654 20 5 FFBDRO COc1cc(CN2CC[C@H]([NH+](C)C)[C@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000931043915 1020296666 /nfs/dbraw/zinc/29/66/66/1020296666.db2.gz RQLOUFSPFVWZHP-YPMHNXCESA-N 1 0 373.400 2.772 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000931057742 1020300301 /nfs/dbraw/zinc/30/03/01/1020300301.db2.gz QHZWMOFTVMAEDY-OAHLLOKOSA-N 1 0 362.430 2.586 20 5 FFBDRO Cc1ccccc1C[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001048608095 1020351783 /nfs/dbraw/zinc/35/17/83/1020351783.db2.gz TXFXWWLQDBVSPP-PSBWJHGTSA-N 1 0 359.470 2.672 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1C[C@@]2(C)CN(C)C[C@]2(C)C1 ZINC000931308272 1020415602 /nfs/dbraw/zinc/41/56/02/1020415602.db2.gz SEVKWLDOVJRSBW-RTBURBONSA-N 1 0 360.458 2.505 20 5 FFBDRO COCCOc1ccc(C[NH2+][C@@H](C)c2cc(OC)cc([N+](=O)[O-])c2)cn1 ZINC000903072179 1020662985 /nfs/dbraw/zinc/66/29/85/1020662985.db2.gz HLXBZDAHQZRFAD-ZDUSSCGKSA-N 1 0 361.398 2.874 20 5 FFBDRO C/C(=C/C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000801014862 1020704000 /nfs/dbraw/zinc/70/40/00/1020704000.db2.gz VVNODLNCECKBLA-VZVUQDNOSA-N 1 0 373.453 2.569 20 5 FFBDRO COc1cc([C@H](C)[NH2+]C2CCN(c3cccnn3)CC2)cc([N+](=O)[O-])c1 ZINC000903161106 1020709627 /nfs/dbraw/zinc/70/96/27/1020709627.db2.gz PZDGRIBEWSWZKT-ZDUSSCGKSA-N 1 0 357.414 2.713 20 5 FFBDRO O=c1c2cc(O[C@@H]3C[NH2+]CCC[C@@H]3F)c(O)cc2oc2cccc(O)c12 ZINC001217978309 1032928882 /nfs/dbraw/zinc/92/88/82/1032928882.db2.gz PSLZIIVMHCXYDB-APPDUMDISA-N 1 0 359.353 2.826 20 5 FFBDRO C[NH+](C)CCN(Cc1ccccn1)C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000932210815 1020743448 /nfs/dbraw/zinc/74/34/48/1020743448.db2.gz LWLCUPYOLOMSQH-RBUKOAKNSA-N 1 0 368.437 2.684 20 5 FFBDRO COC(=O)c1cc(Br)c(O[C@@H]2CCCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001217968896 1032926013 /nfs/dbraw/zinc/92/60/13/1032926013.db2.gz PURLSWYKABDNOZ-SNVBAGLBSA-N 1 0 373.203 2.665 20 5 FFBDRO COC(=O)CC(C)(C)[N@H+](C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC001116351252 1021174570 /nfs/dbraw/zinc/17/45/70/1021174570.db2.gz AMSHUCJAZQIJOF-UHFFFAOYSA-N 1 0 351.403 2.505 20 5 FFBDRO COc1ccc([C@H]2CCC[N@@H+]2C[C@H](O)COc2cccc([N+](=O)[O-])c2)nc1 ZINC000934344946 1021204759 /nfs/dbraw/zinc/20/47/59/1021204759.db2.gz IFFOIBUUSGZDKV-HNAYVOBHSA-N 1 0 373.409 2.575 20 5 FFBDRO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC001116526986 1021264394 /nfs/dbraw/zinc/26/43/94/1021264394.db2.gz KSEGLNKMPYUYOQ-NWDGAFQWSA-N 1 0 357.357 2.799 20 5 FFBDRO CC(C)(C)OC(=O)c1ccc(O[C@@H]2CSC3(C[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC001218104693 1032996421 /nfs/dbraw/zinc/99/64/21/1032996421.db2.gz ZUKWGGRLETZIQI-LBPRGKRZSA-N 1 0 366.439 2.776 20 5 FFBDRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000155303198 1022236736 /nfs/dbraw/zinc/23/67/36/1022236736.db2.gz RZDGXBIDJORIOP-LVMGUKCRSA-N 1 0 353.422 2.897 20 5 FFBDRO Nc1ccc(NC(=O)[C@H]2CCCCN2Cc2ccncc2)cc1[N+](=O)[O-] ZINC001118706272 1022361140 /nfs/dbraw/zinc/36/11/40/1022361140.db2.gz KHDHHLYGGRWKPI-MRXNPFEDSA-N 1 0 355.398 2.565 20 5 FFBDRO O=[N+]([O-])c1ccccc1OCCN1CCOC[C@@H]1C[C@H](O)c1ccccc1 ZINC000157763350 1022457975 /nfs/dbraw/zinc/45/79/75/1022457975.db2.gz UBHOMXKWNIPZNB-HKUYNNGSSA-N 1 0 372.421 2.798 20 5 FFBDRO O=[N+]([O-])c1ccc2c(cnn2CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000158003504 1022469840 /nfs/dbraw/zinc/46/98/40/1022469840.db2.gz RHZKAPPCNKGVBE-KDOFPFPSSA-N 1 0 355.442 2.851 20 5 FFBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3ccsc3)cc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001020139819 1022563782 /nfs/dbraw/zinc/56/37/82/1022563782.db2.gz NQOMJCYTTZDBIS-BRSBDYLESA-N 1 0 371.462 2.817 20 5 FFBDRO Cn1cc(-c2ccc(C[NH2+][C@](C)(CO)c3cccc([N+](=O)[O-])c3)cc2)cn1 ZINC001119247105 1022633663 /nfs/dbraw/zinc/63/36/63/1022633663.db2.gz RKKPNVVCTOOJHN-HXUWFJFHSA-N 1 0 366.421 2.993 20 5 FFBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(C1)CC[NH+](CCCC1CCCC1)CC2 ZINC001040701250 1022954372 /nfs/dbraw/zinc/95/43/72/1022954372.db2.gz WYEKFZBAXUBRSV-QZTJIDSGSA-N 1 0 363.502 2.937 20 5 FFBDRO O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1NC1CC[NH+](C2CCC2)CC1 ZINC000829314439 1033096620 /nfs/dbraw/zinc/09/66/20/1033096620.db2.gz YTYFNFHQDDZAFM-UHFFFAOYSA-N 1 0 358.442 2.916 20 5 FFBDRO CN(Cc1cc(F)ccc1[N+](=O)[O-])C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188288141 1023050529 /nfs/dbraw/zinc/05/05/29/1023050529.db2.gz VINSKQQLSMJPRL-FQEVSTJZSA-N 1 0 373.428 2.803 20 5 FFBDRO C/C(=C/C(=O)N1CCC(OCC[NH+](C)C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000752342252 1023122958 /nfs/dbraw/zinc/12/29/58/1023122958.db2.gz CNVQNXGWFYYWFB-PFONDFGASA-N 1 0 361.442 2.567 20 5 FFBDRO O=C1N(C[N@@H+]2CCC[C@H]([C@@H]3CCOC3)C2)CCN1c1ccccc1[N+](=O)[O-] ZINC000752796904 1023205682 /nfs/dbraw/zinc/20/56/82/1023205682.db2.gz MSTLHQHSGDQVIK-JKSUJKDBSA-N 1 0 374.441 2.543 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)CCCNc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC001120100979 1023240467 /nfs/dbraw/zinc/24/04/67/1023240467.db2.gz ZWINUVXRIZYQCV-TXPKVOOTSA-N 1 0 374.485 2.976 20 5 FFBDRO [NH3+][C@@H]1C[C@H](NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)C12CCC2 ZINC001122426904 1023260032 /nfs/dbraw/zinc/26/00/32/1023260032.db2.gz RNJHKMQJOQZXAZ-MOPGFXCFSA-N 1 0 361.445 2.541 20 5 FFBDRO CC(C)(C)OC(=O)C1CCC(O)(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001120466244 1023332919 /nfs/dbraw/zinc/33/29/19/1023332919.db2.gz AOEAUMMGOWYKCN-UHFFFAOYSA-N 1 0 364.442 2.947 20 5 FFBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC001120582662 1023371040 /nfs/dbraw/zinc/37/10/40/1023371040.db2.gz JYSNZKVDYUFMPG-INIZCTEOSA-N 1 0 360.458 2.906 20 5 FFBDRO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C[C@@]1(O)CCc2ccccc21 ZINC000829377750 1033128308 /nfs/dbraw/zinc/12/83/08/1033128308.db2.gz VGLSPSISFRMYEL-IBGZPJMESA-N 1 0 352.394 2.737 20 5 FFBDRO COc1cc(C(=O)c2ccc(C)cc2)cc([N+](=O)[O-])c1O[C@@H]1C[NH2+][C@H]1C ZINC001218382996 1033130879 /nfs/dbraw/zinc/13/08/79/1033130879.db2.gz FJUOQAYRILOBQG-YVEFUNNKSA-N 1 0 356.378 2.882 20 5 FFBDRO O=C(N[C@H]1C[NH+]2CCC1CC2)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001120774873 1023462502 /nfs/dbraw/zinc/46/25/02/1023462502.db2.gz WEVHKQNBCBWIQC-AWEZNQCLSA-N 1 0 358.423 2.542 20 5 FFBDRO C[C@@H](Nc1ccc([N+](=O)[O-])c(OC(C)(C)C)c1)[C@H]1C[N@H+](C)CCN1C ZINC001120959332 1023544139 /nfs/dbraw/zinc/54/41/39/1023544139.db2.gz IHHWXLLDRPUTAB-CZUORRHYSA-N 1 0 350.463 2.818 20 5 FFBDRO Cc1c(-c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2C)cccc1[N+](=O)[O-] ZINC001121290514 1023690550 /nfs/dbraw/zinc/69/05/50/1023690550.db2.gz IGWKQNMRVNNDOH-UHFFFAOYSA-N 1 0 358.446 2.619 20 5 FFBDRO C[C@@H](c1nnc(N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n1C)[N+](=O)[O-] ZINC001121296103 1023692653 /nfs/dbraw/zinc/69/26/53/1023692653.db2.gz DZBGQDPMLZFLOY-VYDXJSESSA-N 1 0 372.473 2.642 20 5 FFBDRO CCC[C@H]1CN(c2nnc([C@H](C)[N+](=O)[O-])n2C)CC[N@@H+]1Cc1ccccc1 ZINC001121296130 1023692673 /nfs/dbraw/zinc/69/26/73/1023692673.db2.gz GBJYUWLQWPIVII-RDJZCZTQSA-N 1 0 372.473 2.644 20 5 FFBDRO C[C@H](c1nnc(N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n1C)[N+](=O)[O-] ZINC001121296100 1023692946 /nfs/dbraw/zinc/69/29/46/1023692946.db2.gz DZBGQDPMLZFLOY-BFYDXBDKSA-N 1 0 372.473 2.642 20 5 FFBDRO COc1ccc(NC(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)c([N+](=O)[O-])c1 ZINC001123372156 1023765624 /nfs/dbraw/zinc/76/56/24/1023765624.db2.gz LYOJOGZQQIAYLC-OAHLLOKOSA-N 1 0 350.419 2.845 20 5 FFBDRO Cc1ccc([C@@H](C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)N2CCOCC2)o1 ZINC000078228056 1023779550 /nfs/dbraw/zinc/77/95/50/1023779550.db2.gz YJVVFIUBNFJYHI-GOSISDBHSA-N 1 0 359.426 2.968 20 5 FFBDRO CCC(CC)(C[NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)C(=O)OC ZINC000192704764 1024253047 /nfs/dbraw/zinc/25/30/47/1024253047.db2.gz GNBKWAFAFUXUEU-CYBMUJFWSA-N 1 0 365.430 2.799 20 5 FFBDRO CC(C)(C)[C@@H]([NH3+])CC(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC001122131477 1024367027 /nfs/dbraw/zinc/36/70/27/1024367027.db2.gz JGJDUOBHBGQPQZ-LBPRGKRZSA-N 1 0 358.236 2.737 20 5 FFBDRO CC(C)(C)[C@H]([NH3+])CC(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC001122131476 1024368175 /nfs/dbraw/zinc/36/81/75/1024368175.db2.gz JGJDUOBHBGQPQZ-GFCCVEGCSA-N 1 0 358.236 2.737 20 5 FFBDRO [NH3+][C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC[C@@H]1C(F)(F)F ZINC001122160375 1024395622 /nfs/dbraw/zinc/39/56/22/1024395622.db2.gz ZOONCMVOWGVFQQ-WCBMZHEXSA-N 1 0 351.712 2.600 20 5 FFBDRO CC(C)c1nccn1CCNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000759091095 1024461321 /nfs/dbraw/zinc/46/13/21/1024461321.db2.gz OTFKLFKOWBVOML-UHFFFAOYSA-N 1 0 355.398 2.755 20 5 FFBDRO O=C(NC1CC[NH+](CC2CC2)CC1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000194700837 1024879200 /nfs/dbraw/zinc/87/92/00/1024879200.db2.gz ZWEYKRYUCGKAEQ-UHFFFAOYSA-N 1 0 372.469 2.799 20 5 FFBDRO O=[N+]([O-])c1c(N2CCC(CCC[NH+]3CCOCC3)CC2)nc2ccccn21 ZINC000779914443 1025225639 /nfs/dbraw/zinc/22/56/39/1025225639.db2.gz OSXVQOGGFMGDCZ-UHFFFAOYSA-N 1 0 373.457 2.571 20 5 FFBDRO CC(C)(C)OC(=O)NCC[C@H](O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000795222205 1025362177 /nfs/dbraw/zinc/36/21/77/1025362177.db2.gz QNDSNMHSXSSTSK-ZDUSSCGKSA-N 1 0 367.446 2.695 20 5 FFBDRO CN(C(=O)c1cc([N+](=O)[O-])ccc1N)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000837184530 1025639224 /nfs/dbraw/zinc/63/92/24/1025639224.db2.gz YHWUTFXFVNWVOZ-UHFFFAOYSA-N 1 0 374.363 2.666 20 5 FFBDRO C[N@H+](CCCCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)C1CC1 ZINC000837225000 1025664411 /nfs/dbraw/zinc/66/44/11/1025664411.db2.gz IYJXCPMRLRJPOG-UHFFFAOYSA-N 1 0 360.458 2.799 20 5 FFBDRO Cc1nn(CN2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000247023135 1026632961 /nfs/dbraw/zinc/63/29/61/1026632961.db2.gz OTKFRWHUQOGDHF-OAHLLOKOSA-N 1 0 357.458 2.962 20 5 FFBDRO Cc1nn(C[N@@H+]2CCC[C@H](CC(C)(C)C(N)=O)C2)c2ccc([N+](=O)[O-])cc12 ZINC000840106275 1026957784 /nfs/dbraw/zinc/95/77/84/1026957784.db2.gz BZGRTDJEGLDBGQ-CQSZACIVSA-N 1 0 373.457 2.824 20 5 FFBDRO COC(=O)c1cccc([C@@H]2C[NH2+]CCN2c2ncc([N+](=O)[O-])c(C)c2C)c1 ZINC001159053491 1027249145 /nfs/dbraw/zinc/24/91/45/1027249145.db2.gz DBKBBZWHHNQEJS-KRWDZBQOSA-N 1 0 370.409 2.544 20 5 FFBDRO O=[N+]([O-])c1ccc(Cl)c(Nc2nccnc2N2CC[NH2+]CC2)c1Cl ZINC001159175708 1027296699 /nfs/dbraw/zinc/29/66/99/1027296699.db2.gz FJQYMTRIWWMPQX-UHFFFAOYSA-N 1 0 369.212 2.845 20 5 FFBDRO Cc1nn(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])c2ncc([N+](=O)[O-])cc12 ZINC000795645914 1027392068 /nfs/dbraw/zinc/39/20/68/1027392068.db2.gz RUGBQDQFDMNXII-UHFFFAOYSA-N 1 0 370.369 2.688 20 5 FFBDRO COc1ncc(Nc2ccc(N3CC[NH2+]CC3)c(Cl)c2)cc1[N+](=O)[O-] ZINC001159858836 1027522272 /nfs/dbraw/zinc/52/22/72/1027522272.db2.gz MFXSTQATZCSUMT-UHFFFAOYSA-N 1 0 363.805 2.805 20 5 FFBDRO CCOC(=O)c1cc(Nc2cccc3c2[C@H]2C[NH2+]C[C@@H]2O3)cc([N+](=O)[O-])c1 ZINC001160394324 1027693272 /nfs/dbraw/zinc/69/32/72/1027693272.db2.gz HGNQPVVBTOYLBU-YOEHRIQHSA-N 1 0 369.377 2.963 20 5 FFBDRO COC(=O)c1ccnc(-n2cc(C(C)(C)C[NH3+])c3ccccc32)c1[N+](=O)[O-] ZINC001160845087 1027897358 /nfs/dbraw/zinc/89/73/58/1027897358.db2.gz LFWQOSHBBHADJR-UHFFFAOYSA-N 1 0 368.393 2.957 20 5 FFBDRO CCOC(=O)CN(CC[NH3+])C(=O)c1c2ccccc2cc2ccccc21 ZINC001153499739 1027907079 /nfs/dbraw/zinc/90/70/79/1027907079.db2.gz UUGYULRXVZGZJJ-UHFFFAOYSA-N 1 0 350.418 2.957 20 5 FFBDRO COc1ccccc1O[C@H]1CCCN(Cn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000795732457 1028069423 /nfs/dbraw/zinc/06/94/23/1028069423.db2.gz XNSPTMZWUFVUCY-HNNXBMFYSA-N 1 0 360.414 2.918 20 5 FFBDRO O=[N+]([O-])c1c[nH]c2ccc(NC3CC[NH+](CC4CCOCC4)CC3)nc21 ZINC001161215668 1028071975 /nfs/dbraw/zinc/07/19/75/1028071975.db2.gz XSUPUDWUFZZNSB-UHFFFAOYSA-N 1 0 359.430 2.774 20 5 FFBDRO [NH3+][C@H]1CC[C@H](N(c2ccncn2)c2cnc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC001161363968 1028145674 /nfs/dbraw/zinc/14/56/74/1028145674.db2.gz GMTPBJJYDUJOJF-JOCQHMNTSA-N 1 0 365.397 2.736 20 5 FFBDRO CC[N@@H+]1CCCC[C@H]1C(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC001161759283 1028307456 /nfs/dbraw/zinc/30/74/56/1028307456.db2.gz APVCXXBTNAHARE-ZDUSSCGKSA-N 1 0 370.247 2.848 20 5 FFBDRO COC(=O)COc1c(C)cc(NC[C@@H]2CCC[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC001162470488 1028550320 /nfs/dbraw/zinc/55/03/20/1028550320.db2.gz KZQDKWXZUDKBAU-KBPBESRZSA-N 1 0 365.430 2.503 20 5 FFBDRO O=[N+]([O-])c1cc(-c2ccc(NC[C@@H]3C[C@H](F)C[NH2+]3)nn2)ccc1Cl ZINC001155039364 1028553939 /nfs/dbraw/zinc/55/39/39/1028553939.db2.gz GMEXWQLBXXQSBI-QWRGUYRKSA-N 1 0 351.769 2.817 20 5 FFBDRO C[NH+](C)C1(CNc2c3cccc(Cl)c3ncc2[N+](=O)[O-])CCOCC1 ZINC001162550841 1028580097 /nfs/dbraw/zinc/58/00/97/1028580097.db2.gz ZVKNEYBAKRULAD-UHFFFAOYSA-N 1 0 364.833 2.741 20 5 FFBDRO CCOc1cc(N[C@@H]2C[NH2+]CCC2(OCC)OCC)ccc1[N+](=O)[O-] ZINC001162737740 1028640195 /nfs/dbraw/zinc/64/01/95/1028640195.db2.gz RYAHLUWBAQDHNR-MRXNPFEDSA-N 1 0 353.419 2.537 20 5 FFBDRO O=[N+]([O-])c1cc(-c2ccc(N[C@@H]3C=C[C@@H]4C[NH2+]C[C@H]34)nn2)ccc1Cl ZINC001162801364 1028660912 /nfs/dbraw/zinc/66/09/12/1028660912.db2.gz IOWDEMUTJBNTQP-TYNCELHUSA-N 1 0 357.801 2.891 20 5 FFBDRO COc1cc2ncnc(N3C[C@H]([NH3+])Cc4ccccc43)c2cc1[N+](=O)[O-] ZINC001155298363 1028663992 /nfs/dbraw/zinc/66/39/92/1028663992.db2.gz DCZFKMAGNABKQA-GFCCVEGCSA-N 1 0 351.366 2.568 20 5 FFBDRO CN1CCc2c(NCc3ccc4c(c3)CC[NH2+]C4)ccc([N+](=O)[O-])c2C1 ZINC001162816144 1028668706 /nfs/dbraw/zinc/66/87/06/1028668706.db2.gz VDTHHDFNKGENBV-UHFFFAOYSA-N 1 0 352.438 2.841 20 5 FFBDRO CC(C)C[N@@H+]1CC[C@@H](CNc2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])C1 ZINC001162818760 1028669327 /nfs/dbraw/zinc/66/93/27/1028669327.db2.gz KGDJCZROAOGSNN-AWEZNQCLSA-N 1 0 358.442 2.837 20 5 FFBDRO Cc1cc(Nc2ccncc2[N+](=O)[O-])cc(N2CC[NH+](C(C)C)CC2)c1 ZINC001163041418 1028770033 /nfs/dbraw/zinc/77/00/33/1028770033.db2.gz BEOARAHTHJVRHQ-UHFFFAOYSA-N 1 0 355.442 2.994 20 5 FFBDRO CSc1nc(Cl)c([N+](=O)[O-])c(Nc2ccc([C@H](C[NH3+])CO)cc2)n1 ZINC001163051489 1028773833 /nfs/dbraw/zinc/77/38/33/1028773833.db2.gz ZHIJROSAILENFQ-SECBINFHSA-N 1 0 369.834 2.538 20 5 FFBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)nc1OCc1ccccc1 ZINC001163261664 1028857972 /nfs/dbraw/zinc/85/79/72/1028857972.db2.gz INWJJYNZQJBUSJ-PMPSAXMXSA-N 1 0 354.410 2.979 20 5 FFBDRO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N[C@H](C[NH3+])c1ccccc1 ZINC001163292468 1028880236 /nfs/dbraw/zinc/88/02/36/1028880236.db2.gz RLRLEOIPMDEACN-GFCCVEGCSA-N 1 0 364.789 2.932 20 5 FFBDRO C[NH2+]C1CN(C(F)(F)c2cc(-c3cccc([N+](=O)[O-])c3)nnc2Cl)C1 ZINC001163704666 1029033144 /nfs/dbraw/zinc/03/31/44/1029033144.db2.gz DBQPAMHAUATSHU-UHFFFAOYSA-N 1 0 369.759 2.658 20 5 FFBDRO COc1nc(NC[C@@H](c2ccccc2)[NH+]2CCCC2)nc(OC)c1[N+](=O)[O-] ZINC001156531024 1029232657 /nfs/dbraw/zinc/23/26/57/1029232657.db2.gz LYIGPHKCZVIZPW-AWEZNQCLSA-N 1 0 373.413 2.651 20 5 FFBDRO O=[N+]([O-])c1cnc2ccccc2c1N1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001164352183 1029255875 /nfs/dbraw/zinc/25/58/75/1029255875.db2.gz ZFSOSTMQOAAGHZ-UHFFFAOYSA-N 1 0 370.453 2.960 20 5 FFBDRO COc1cc(C)nc(N2CCC(C[NH3+])(c3ccccc3)CC2)c1[N+](=O)[O-] ZINC001164435642 1029281339 /nfs/dbraw/zinc/28/13/39/1029281339.db2.gz LXEXEAUDUUDKCQ-UHFFFAOYSA-N 1 0 356.426 2.804 20 5 FFBDRO Cc1ccnc(NC2(C(=O)OC(C)(C)C)CCC([NH3+])CC2)c1[N+](=O)[O-] ZINC001156800120 1029351935 /nfs/dbraw/zinc/35/19/35/1029351935.db2.gz CIOSLXQMTLCSKB-UHFFFAOYSA-N 1 0 350.419 2.692 20 5 FFBDRO O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1N1C[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC001165089418 1029379451 /nfs/dbraw/zinc/37/94/51/1029379451.db2.gz UNOIPYHBRCXXLH-ZBFHGGJFSA-N 1 0 374.828 2.592 20 5 FFBDRO CC[N@H+]([C@H]1CCOC1)C1CCN(c2cc([N+](=O)[O-])cc(Cl)n2)CC1 ZINC001165109346 1029396531 /nfs/dbraw/zinc/39/65/31/1029396531.db2.gz UIGUVDBWKGLHQT-ZDUSSCGKSA-N 1 0 354.838 2.723 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2ncn(C[N@@H+]3CC[C@@H](Cc4ccncc4)C3)n2)c1 ZINC000782292499 1029645584 /nfs/dbraw/zinc/64/55/84/1029645584.db2.gz UULFREIVRQMLML-INIZCTEOSA-N 1 0 364.409 2.770 20 5 FFBDRO CCC[N@H+]1C[C@H]2CN(c3cc4ncnc(Cl)c4cc3[N+](=O)[O-])C[C@H]2C1 ZINC001157689787 1029645943 /nfs/dbraw/zinc/64/59/43/1029645943.db2.gz JNOPTXXMPYLKPX-TXEJJXNPSA-N 1 0 361.833 2.969 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])c(N(c2cc(C)nc(C)n2)C2CC[NH2+]CC2)n1 ZINC001158392317 1029818171 /nfs/dbraw/zinc/81/81/71/1029818171.db2.gz YFHIOCLWMIYWAZ-UHFFFAOYSA-N 1 0 356.430 2.904 20 5 FFBDRO O=[N+]([O-])c1cnc(N2CCC3(C=Cc4ccccc43)CC2)nc1C1C[NH2+]C1 ZINC001165336910 1029947509 /nfs/dbraw/zinc/94/75/09/1029947509.db2.gz FQRILAHKWLFBTP-UHFFFAOYSA-N 1 0 363.421 2.637 20 5 FFBDRO O=[N+]([O-])c1cc(-c2ccc(N3CCC(C4C[NH2+]C4)CC3)nn2)ccc1F ZINC001165411145 1029970915 /nfs/dbraw/zinc/97/09/15/1029970915.db2.gz DGTOMIQAJXLVFN-UHFFFAOYSA-N 1 0 357.389 2.627 20 5 FFBDRO CCOc1nc(N2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC001165417687 1029973336 /nfs/dbraw/zinc/97/33/36/1029973336.db2.gz FYCQRFOJSWXOBT-UZLBHIALSA-N 1 0 368.437 2.972 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])cc1NCC1C[NH+](Cc2ccccc2)C1 ZINC001165455195 1029986277 /nfs/dbraw/zinc/98/62/77/1029986277.db2.gz VQLMTANRQPHXBJ-UHFFFAOYSA-N 1 0 355.394 2.925 20 5 FFBDRO Cc1cccc(N(c2ncc([N+](=O)[O-])cc2N)[C@@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC001165774273 1030120046 /nfs/dbraw/zinc/12/00/46/1030120046.db2.gz CANLCCRIABZKQL-QFBILLFUSA-N 1 0 369.425 2.540 20 5 FFBDRO O=[N+]([O-])c1cc(-c2nc(CC3CC[NH2+]CC3)no2)ccc1N1CCCC1 ZINC000843134891 1031199904 /nfs/dbraw/zinc/19/99/04/1031199904.db2.gz ZHODWYCOHSKJOS-UHFFFAOYSA-N 1 0 357.414 2.787 20 5 FFBDRO C[C@@H](Cc1nc(CCNc2ccccc2[N+](=O)[O-])no1)[C@H]1CCC[NH2+]C1 ZINC000843185204 1031228959 /nfs/dbraw/zinc/22/89/59/1031228959.db2.gz PXQAKEKFFXCEDL-KBPBESRZSA-N 1 0 359.430 2.811 20 5 FFBDRO [NH3+]C[C@H]1c2ccccc2CCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000843392500 1031372687 /nfs/dbraw/zinc/37/26/87/1031372687.db2.gz RQYWWEDKPJAETC-SFHVURJKSA-N 1 0 372.400 2.621 20 5 FFBDRO O=C(Nc1cnn(C2CC[NH2+]CC2)c1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000843455295 1031410557 /nfs/dbraw/zinc/41/05/57/1031410557.db2.gz BEGDOSPQESEGRH-UHFFFAOYSA-N 1 0 370.413 2.542 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H]2C[C@@H]([NH+](C)C)C23CCC3)c1 ZINC001149197947 1031455219 /nfs/dbraw/zinc/45/52/19/1031455219.db2.gz WUISRCMLIUZSBZ-IAGOWNOFSA-N 1 0 361.442 2.661 20 5 FFBDRO O=C(CC[N@@H+]1CC[C@H](c2ccccn2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000799191052 1031688205 /nfs/dbraw/zinc/68/82/05/1031688205.db2.gz HZKQZUNDPHDUNR-ZDUSSCGKSA-N 1 0 358.373 2.947 20 5 FFBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@H](c3ccccn3)C2)c([N+](=O)[O-])c1 ZINC000799196288 1031690091 /nfs/dbraw/zinc/69/00/91/1031690091.db2.gz MCKYGFNYTTURTM-AWEZNQCLSA-N 1 0 370.409 2.817 20 5 FFBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](c3ccccn3)C2)c([N+](=O)[O-])c1 ZINC000799196290 1031691172 /nfs/dbraw/zinc/69/11/72/1031691172.db2.gz MCKYGFNYTTURTM-CQSZACIVSA-N 1 0 370.409 2.817 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@H](CCO)Cc2ccccc2)n1 ZINC000799732498 1031868343 /nfs/dbraw/zinc/86/83/43/1031868343.db2.gz ZPTXBAFWTVBYJK-KZNAEPCWSA-N 1 0 358.442 2.858 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@@H](CCO)Cc2ccccc2)n1 ZINC000799732499 1031868519 /nfs/dbraw/zinc/86/85/19/1031868519.db2.gz ZPTXBAFWTVBYJK-OKZBNKHCSA-N 1 0 358.442 2.858 20 5 FFBDRO COC(=O)[C@H]1[C@@H](C[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1(F)F ZINC001205642251 1031899416 /nfs/dbraw/zinc/89/94/16/1031899416.db2.gz HCHPXWBCPBOGCY-GHMZBOCLSA-N 1 0 368.258 2.758 20 5 FFBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]C[C@@H](c3nnc[nH]3)c3ccccc3)nc2c1 ZINC001205795553 1032000673 /nfs/dbraw/zinc/00/06/73/1032000673.db2.gz LUBQDNQTFKZNIJ-CQSZACIVSA-N 1 0 364.365 2.776 20 5 FFBDRO CCc1n[nH]c(C(=O)N2CCC[C@H]2CC[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC001151737586 1032018942 /nfs/dbraw/zinc/01/89/42/1032018942.db2.gz FBWBUWUCCGHQOT-AWEZNQCLSA-N 1 0 363.462 2.607 20 5 FFBDRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000829791434 1033336460 /nfs/dbraw/zinc/33/64/60/1033336460.db2.gz DHZJYZRNKDJQFU-NIKGAXFTSA-N 1 0 366.421 2.831 20 5 FFBDRO COc1cc(CO[C@H]2CC[C@@H]([NH+]3CCOCC3)CC2)cc([N+](=O)[O-])c1 ZINC001223394848 1033424752 /nfs/dbraw/zinc/42/47/52/1033424752.db2.gz ZYOBNMQTCCQJBW-WOVMCDHWSA-N 1 0 350.415 2.763 20 5 FFBDRO Nc1ccc2n(C(=O)[C@@H]([NH3+])Cc3cccc(O)c3)c3ccccc3cc-2c1=O ZINC001219255841 1033574560 /nfs/dbraw/zinc/57/45/60/1033574560.db2.gz MBVOYDDQWORNLO-SFHVURJKSA-N 1 0 373.412 2.604 20 5 FFBDRO COc1ncnc(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1[N+](=O)[O-] ZINC000312976076 1033705284 /nfs/dbraw/zinc/70/52/84/1033705284.db2.gz KWCKSZVYKIQZBA-ARFHVFGLSA-N 1 0 369.425 2.716 20 5 FFBDRO C[C@@H]1C[NH2+]C[C@@H](CNC(=O)c2ccc3oc4ccccc4c(=O)c3c2)C1 ZINC001219667063 1033739464 /nfs/dbraw/zinc/73/94/64/1033739464.db2.gz SSPWCUOINLUNJO-KBPBESRZSA-N 1 0 350.418 2.922 20 5 FFBDRO CC1(C)[C@H]([NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@H]2CCCO[C@H]21 ZINC000831329679 1034037463 /nfs/dbraw/zinc/03/74/63/1034037463.db2.gz XZDBYZIPSJGVGP-CSMYWGQOSA-N 1 0 365.405 2.856 20 5 FFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1 ZINC000831563143 1034125647 /nfs/dbraw/zinc/12/56/47/1034125647.db2.gz KTBWLYMTUQILBV-MRVWCRGKSA-N 1 0 371.359 2.998 20 5 FFBDRO C[C@H](C[N+](C)(C)C)OC[C@@H]1C[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2O1 ZINC001225097927 1034126210 /nfs/dbraw/zinc/12/62/10/1034126210.db2.gz JUAIWXYYYDHDAB-NCOADZHNSA-N 1 0 357.515 2.512 20 5 FFBDRO O=C1C[C@H]2C[C@@H](Oc3ccc([N+](=O)[O-])cn3)[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001225634751 1034346308 /nfs/dbraw/zinc/34/63/08/1034346308.db2.gz NXVUSHQIDZUPEF-CGTJXYLNSA-N 1 0 353.378 2.743 20 5 FFBDRO COCCC[NH+]1CCC(Oc2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC001225749685 1034394438 /nfs/dbraw/zinc/39/44/38/1034394438.db2.gz FXQVQJNXDKYJRB-UHFFFAOYSA-N 1 0 374.235 2.632 20 5 FFBDRO CO[C@H]1C[C@H]([N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C12CCC2 ZINC000832208860 1034631810 /nfs/dbraw/zinc/63/18/10/1034631810.db2.gz DLDVAIHUFVGTLP-HOTGVXAUSA-N 1 0 365.405 2.952 20 5 FFBDRO COC(=O)c1cc(OC)c(O[C@H]2CCC[N@@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC001226365517 1034653469 /nfs/dbraw/zinc/65/34/69/1034653469.db2.gz ZLERIXIUZQSVKW-ZDUSSCGKSA-N 1 0 352.387 2.642 20 5 FFBDRO COCCC[NH+]1CCC(Oc2ccc(Br)nc2[N+](=O)[O-])CC1 ZINC001227260687 1035490682 /nfs/dbraw/zinc/49/06/82/1035490682.db2.gz TZOQRUPWZSFRCK-UHFFFAOYSA-N 1 0 374.235 2.632 20 5 FFBDRO O=c1[nH]c(=O)c2c([nH]1)CC[N@H+](Cc1ccc3ccc4cccnc4c3n1)C2 ZINC001232223634 1035504025 /nfs/dbraw/zinc/50/40/25/1035504025.db2.gz QUONRMIXHBALJZ-UHFFFAOYSA-N 1 0 359.389 2.543 20 5 FFBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1c(Br)ccc2ccccc21 ZINC001227830971 1035763819 /nfs/dbraw/zinc/76/38/19/1035763819.db2.gz BRCVVAZBDAGPRM-CYBMUJFWSA-N 1 0 367.263 2.965 20 5 FFBDRO CC(C)(C)[NH+]1CCC(Oc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC001228666445 1036243224 /nfs/dbraw/zinc/24/32/24/1036243224.db2.gz YKNOATUZXLGMLB-UHFFFAOYSA-N 1 0 356.444 2.640 20 5 FFBDRO CO[C@@H]1CC[N@H+](CCOc2cc([N+](=O)[O-])c(Br)cc2F)C1 ZINC001228943096 1036421594 /nfs/dbraw/zinc/42/15/94/1036421594.db2.gz XQMGSYGMWGGBAM-SECBINFHSA-N 1 0 363.183 2.596 20 5 FFBDRO O=[N+]([O-])c1c(I)cccc1O[C@@H]1C[NH+]2CCC1CC2 ZINC001229661574 1036811133 /nfs/dbraw/zinc/81/11/33/1036811133.db2.gz WXBLDSOXZVFJLK-GFCCVEGCSA-N 1 0 374.178 2.672 20 5 FFBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1c(Cl)ccc(Br)c1F ZINC001234204651 1036961880 /nfs/dbraw/zinc/96/18/80/1036961880.db2.gz PVZDQRABYZUZSR-MRVPVSSYSA-N 1 0 369.638 2.604 20 5 FFBDRO Cc1nc2c(c(O[C@@H](C[N+](=O)[O-])C3CC3)n1)CCN(Cc1ccccc1)C2 ZINC001229896476 1036964630 /nfs/dbraw/zinc/96/46/30/1036964630.db2.gz PQGSLJKRWSTGHH-IBGZPJMESA-N 1 0 368.437 2.777 20 5 FFBDRO C[N@@H+]1CCC[C@@H](Oc2ccc(I)c([N+](=O)[O-])c2)C1 ZINC001229945647 1036991951 /nfs/dbraw/zinc/99/19/51/1036991951.db2.gz ALWQDMLMGWKMSV-SNVBAGLBSA-N 1 0 362.167 2.672 20 5 FFBDRO CCCN1CCO[C@@H]2c3cc(O[C@@H](C[N+](=O)[O-])C4CC4)ccc3OC[C@H]21 ZINC001230427373 1037278307 /nfs/dbraw/zinc/27/83/07/1037278307.db2.gz NXSNPTIGWNJWAU-NZSAHSFTSA-N 1 0 362.426 2.665 20 5 FFBDRO CCOC(=O)c1ccc(OC2CC[NH+](CCCOC)CC2)cc1[N+](=O)[O-] ZINC001230916834 1037405891 /nfs/dbraw/zinc/40/58/91/1037405891.db2.gz FBFTZKVUBXCEIJ-UHFFFAOYSA-N 1 0 366.414 2.651 20 5 FFBDRO C[C@H](C[N+](C)(C)C)Oc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001231236083 1037508302 /nfs/dbraw/zinc/50/83/02/1037508302.db2.gz IBDNCEDPKVVFMV-MRVPVSSYSA-N 1 0 352.289 2.995 20 5 FFBDRO COc1cc(N2CCC([N@@H+]3CCC[C@@H]3C(C)(C)O)CC2)ccc1[N+](=O)[O-] ZINC001256100772 1038385453 /nfs/dbraw/zinc/38/54/53/1038385453.db2.gz OSUWHNCMULXFKO-GOSISDBHSA-N 1 0 363.458 2.808 20 5 FFBDRO Cc1cc(-c2nnc(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)o2)cc(C)c1[N+](=O)[O-] ZINC001258019423 1039117422 /nfs/dbraw/zinc/11/74/22/1039117422.db2.gz NQKQDWFFKNOPEB-OKILXGFUSA-N 1 0 360.414 2.913 20 5 FFBDRO C[C@H]1C[NH+](CCc2nnc(-c3cc4ccc([N+](=O)[O-])cc4[nH]3)o2)C[C@H](C)O1 ZINC001258027806 1039126371 /nfs/dbraw/zinc/12/63/71/1039126371.db2.gz PZCRBAXRRRDOAU-RYUDHWBXSA-N 1 0 371.397 2.778 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C[C@@H](N)Cc2ccccc2)c1F ZINC001246299963 1039303362 /nfs/dbraw/zinc/30/33/62/1039303362.db2.gz NQOOFENYBWEOFD-ZFWWWQNUSA-N 1 0 361.417 2.833 20 5 FFBDRO COc1ccc(C[C@H](C)N2C[C@@H]3C[NH2+]C[C@]3(C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC001246655903 1039428223 /nfs/dbraw/zinc/42/82/23/1039428223.db2.gz MFVRZGHITPHQDV-RBOXIYTFSA-N 1 0 373.375 2.618 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CC[NH2+][C@@H](CC(C)C)C2)c1F ZINC001246824326 1039493681 /nfs/dbraw/zinc/49/36/81/1039493681.db2.gz QROYZHWHHZLMFG-KBPBESRZSA-N 1 0 353.438 2.993 20 5 FFBDRO CC(=O)N1CCN(c2cc[nH+]cc2Nc2cccc([N+](=O)[O-])c2F)CC1 ZINC001210380029 1039511401 /nfs/dbraw/zinc/51/14/01/1039511401.db2.gz CFLNHYWFMZHSAA-UHFFFAOYSA-N 1 0 359.361 2.541 20 5 FFBDRO Cc1c(Nc2cc[nH+]c(N3CCOCC3)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001211291169 1040063687 /nfs/dbraw/zinc/06/36/87/1040063687.db2.gz VFWCWNFVOSWNRD-UHFFFAOYSA-N 1 0 359.342 2.787 20 5 FFBDRO Cc1cc(S(=O)(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)c([N+](=O)[O-])s1 ZINC001213164961 1040298595 /nfs/dbraw/zinc/29/85/95/1040298595.db2.gz HGZUVNFJOLMCLE-GFCCVEGCSA-N 1 0 373.500 2.650 20 5 FFBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@@H]2CC[N@@H+]2C2CCCCCC2)c1 ZINC001213444733 1040559658 /nfs/dbraw/zinc/55/96/58/1040559658.db2.gz QKFZAXYFKDIQLH-INIZCTEOSA-N 1 0 367.471 2.670 20 5 FFBDRO C[NH+]1CCC(N)(c2nc(-c3ccc4ccc5cccnc5c4n3)no2)CC1 ZINC001249126608 1040593769 /nfs/dbraw/zinc/59/37/69/1040593769.db2.gz DITLDYPIBZSGNT-UHFFFAOYSA-N 1 0 360.421 2.713 20 5 FFBDRO CC(=O)N(C)C1CC[NH+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001254481732 1040746678 /nfs/dbraw/zinc/74/66/78/1040746678.db2.gz ZJFCUQJHYFFVRF-UHFFFAOYSA-N 1 0 360.458 2.506 20 5 FFBDRO O=C(N[C@@H]1CCC[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1)C1CC1 ZINC001254483694 1040749547 /nfs/dbraw/zinc/74/95/47/1040749547.db2.gz WMOMRFCPGUZESB-MRXNPFEDSA-N 1 0 372.469 2.554 20 5 FFBDRO CC(=O)N1CCN(c2cc[nH+]cc2Nc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC001213665666 1040776548 /nfs/dbraw/zinc/77/65/48/1040776548.db2.gz FIWKJUBJWRGSBZ-UHFFFAOYSA-N 1 0 355.398 2.710 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCc1cccc(S(C)(=O)=O)c1 ZINC001254545197 1040790546 /nfs/dbraw/zinc/79/05/46/1040790546.db2.gz BPJAQIKKSYJYAT-AWEZNQCLSA-N 1 0 362.451 2.762 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cc(OC2CCOCC2)ncn1 ZINC001254544140 1040790921 /nfs/dbraw/zinc/79/09/21/1040790921.db2.gz HUCXPCUAWIZICD-AWEZNQCLSA-N 1 0 372.425 2.663 20 5 FFBDRO C[C@@H]([NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1ccc(S(C)(=O)=O)cc1 ZINC001254566944 1040803043 /nfs/dbraw/zinc/80/30/43/1040803043.db2.gz LIUDOZZGOADTCM-MLGOLLRUSA-N 1 0 360.435 2.816 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]C[C@@H]1CN(Cc3ccccc3)CCO1)C2 ZINC001254565319 1040803065 /nfs/dbraw/zinc/80/30/65/1040803065.db2.gz DGUCGIHFVMHMLS-TZIWHRDSSA-N 1 0 367.449 2.553 20 5 FFBDRO COc1nccc(N([C@H](C)Cc2ccccc2[N+](=O)[O-])C2CC[NH2+]CC2)n1 ZINC001254567304 1040805563 /nfs/dbraw/zinc/80/55/63/1040805563.db2.gz AWZRLGUXKKBIRA-CQSZACIVSA-N 1 0 371.441 2.583 20 5 FFBDRO COc1cc(N2CC[NH+]([C@H](C)Cc3ccccc3[N+](=O)[O-])CC2)ccn1 ZINC001254570668 1040808976 /nfs/dbraw/zinc/80/89/76/1040808976.db2.gz PLZIFKSQBVRWOQ-OAHLLOKOSA-N 1 0 356.426 2.752 20 5 FFBDRO O=C(C1CCCCC1)N1CC[C@H]([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254585121 1040816089 /nfs/dbraw/zinc/81/60/89/1040816089.db2.gz KNXOJVDPMPPFMM-ROUUACIJSA-N 1 0 357.454 2.833 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]C1(Cc3cccnc3)CCOCC1)C2 ZINC001254587963 1040818397 /nfs/dbraw/zinc/81/83/97/1040818397.db2.gz SVYRXXRQIKHBQU-SFHVURJKSA-N 1 0 353.422 2.839 20 5 FFBDRO CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@@H]([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254589850 1040820034 /nfs/dbraw/zinc/82/00/34/1040820034.db2.gz SGAQFCINOCOYFN-LAQRGFTBSA-N 1 0 373.453 2.907 20 5 FFBDRO COc1ccc2c(c1)C[C@@H](C[NH2+][C@H]1Cc3ccc([N+](=O)[O-])cc3C1)CO2 ZINC001254588271 1040820621 /nfs/dbraw/zinc/82/06/21/1040820621.db2.gz XKBVDFGQVHXDJC-GUYCJALGSA-N 1 0 354.406 2.912 20 5 FFBDRO Cc1cnc(O[C@@H]2CCC[N@@H+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)nc1 ZINC001254605325 1040834607 /nfs/dbraw/zinc/83/46/07/1040834607.db2.gz BERONEIKSAGBBT-QZTJIDSGSA-N 1 0 354.410 2.704 20 5 FFBDRO COC(=O)[C@H]1C[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@@H]1c1ccccc1 ZINC001254608770 1040837287 /nfs/dbraw/zinc/83/72/87/1040837287.db2.gz BMOMYFNJIKNFGO-AQNXPRMDSA-N 1 0 366.417 2.951 20 5 FFBDRO COc1ccnc(O[C@@H]2CC[N@@H+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)c1 ZINC001254610262 1040840062 /nfs/dbraw/zinc/84/00/62/1040840062.db2.gz ISFVKYTZZQJOTJ-SJLPKXTDSA-N 1 0 355.394 2.619 20 5 FFBDRO COC1CC[NH+](C2CCN([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC2)CC1 ZINC001254612631 1040841344 /nfs/dbraw/zinc/84/13/44/1040841344.db2.gz XCIKBHSLGSQCEP-IBGZPJMESA-N 1 0 359.470 2.637 20 5 FFBDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)OC[C@@H](C)[N+](=O)[O-])C1 ZINC000813115786 1041109475 /nfs/dbraw/zinc/10/94/75/1041109475.db2.gz ZOQAHWLWQNFVSS-CQSZACIVSA-N 1 0 359.426 2.616 20 5 FFBDRO Cc1ccc(OC[C@H](O)C[NH2+]CCNc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC001262558240 1041719278 /nfs/dbraw/zinc/71/92/78/1041719278.db2.gz YZABINRMVCSUHN-GOSISDBHSA-N 1 0 359.426 2.653 20 5 FFBDRO CC[NH+](CC)CC[C@@H](NC(=O)Cn1cc([N+](=O)[O-])nc1C)c1ccccc1 ZINC001262832153 1041884698 /nfs/dbraw/zinc/88/46/98/1041884698.db2.gz JYMLZDOBUDJPRG-QGZVFWFLSA-N 1 0 373.457 2.689 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(F)cc1-c1nc(-c2ccc3c(n2)CC[NH2+]C3)no1 ZINC001216044101 1041937387 /nfs/dbraw/zinc/93/73/87/1041937387.db2.gz VOROPSQDJGIAHP-UHFFFAOYSA-N 1 0 359.292 2.631 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(-c2nc(-c3ccc4c(n3)CC[NH2+]C4)no2)cc1F ZINC001216190459 1041973954 /nfs/dbraw/zinc/97/39/54/1041973954.db2.gz WOBIVLBRMODBPL-UHFFFAOYSA-N 1 0 359.292 2.631 20 5 FFBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)[C@H](F)c3ccccc3)c2)CC1 ZINC001538741511 1070483735 /nfs/dbraw/zinc/48/37/35/1070483735.db2.gz NEEOHXPBHXIFAA-GOSISDBHSA-N 1 0 372.400 2.996 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)cc1C ZINC001309680781 1043480341 /nfs/dbraw/zinc/48/03/41/1043480341.db2.gz ZANZJRRIQWFZPH-HNNXBMFYSA-N 1 0 369.487 2.610 20 5 FFBDRO CCOc1cc(NC(=O)NC[C@H](C)C[NH+](C)C)c([N+](=O)[O-])cc1OCC ZINC001309999602 1043621636 /nfs/dbraw/zinc/62/16/36/1043621636.db2.gz IZVHHFDQROPNEB-LBPRGKRZSA-N 1 0 368.434 2.711 20 5 FFBDRO CN(C)c1ccc([C@H](C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)N(C)C)cc1 ZINC000905702733 1043782756 /nfs/dbraw/zinc/78/27/56/1043782756.db2.gz GFGWQRPOIOURKC-VQTJNVASSA-N 1 0 372.469 2.587 20 5 FFBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCCC[C@H]2[NH+](C)C)cc1OC ZINC001318672394 1044802960 /nfs/dbraw/zinc/80/29/60/1044802960.db2.gz SKQYNJHPLROUHI-UONOGXRCSA-N 1 0 365.430 2.605 20 5 FFBDRO C[NH+](C)[C@@H](CNC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)c1ccsc1 ZINC001318817776 1044894271 /nfs/dbraw/zinc/89/42/71/1044894271.db2.gz HBSNXQMFUAGCHK-INIZCTEOSA-N 1 0 360.439 2.984 20 5 FFBDRO Cc1c(C(=O)N[C@H]2CCCC[C@@H]2[NH+](C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC001318411548 1045294146 /nfs/dbraw/zinc/29/41/46/1045294146.db2.gz BOXMNVPYWFVSBJ-KBPBESRZSA-N 1 0 364.402 2.722 20 5 FFBDRO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC001320991021 1045508115 /nfs/dbraw/zinc/50/81/15/1045508115.db2.gz SQMMQHNRWZCJKV-UONOGXRCSA-N 1 0 357.813 2.919 20 5 FFBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC001323222532 1045511095 /nfs/dbraw/zinc/51/10/95/1045511095.db2.gz XYGUAJKYECGEFR-KRWDZBQOSA-N 1 0 368.437 2.983 20 5 FFBDRO COc1ccc([C@H](CNc2c(C)cncc2[N+](=O)[O-])[NH+]2CCCC2)cc1 ZINC001323059520 1046326854 /nfs/dbraw/zinc/32/68/54/1046326854.db2.gz MOSHMLZQQPJJMT-KRWDZBQOSA-N 1 0 356.426 2.978 20 5 FFBDRO O=[N+]([O-])c1ccccc1C1=NO[C@@H](c2nc([C@@H]3C[NH+]4CCC3CC4)no2)C1 ZINC001325471716 1046519103 /nfs/dbraw/zinc/51/91/03/1046519103.db2.gz ZSZHWOCKSKCQCE-CZUORRHYSA-N 1 0 369.381 2.653 20 5 FFBDRO CC(C)n1cc2c(n1)[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])CCC2 ZINC001325881353 1046673912 /nfs/dbraw/zinc/67/39/12/1046673912.db2.gz WKIRPBQFDLDSPQ-JKSUJKDBSA-N 1 0 374.441 2.779 20 5 FFBDRO O=[N+]([O-])c1cnc(N2CCC[N@H+](C[C@H]3CCCO3)CC2)c2ccccc21 ZINC001332182427 1048286584 /nfs/dbraw/zinc/28/65/84/1048286584.db2.gz BCKGASKTQUEZOC-OAHLLOKOSA-N 1 0 356.426 2.834 20 5 FFBDRO COc1ccc(CC[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cn1 ZINC001330108852 1049041105 /nfs/dbraw/zinc/04/11/05/1049041105.db2.gz SFGVTCPMDKCFQC-UHFFFAOYSA-N 1 0 367.409 2.731 20 5 FFBDRO CC(C)CCSc1ccc(C(=O)NOCC[NH+](C)C)cc1[N+](=O)[O-] ZINC001330819765 1049345659 /nfs/dbraw/zinc/34/56/59/1049345659.db2.gz MZGNVOPFVWSJLV-UHFFFAOYSA-N 1 0 355.460 2.956 20 5 FFBDRO CC(C)NC(=O)c1ccc(N2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001334336510 1049378048 /nfs/dbraw/zinc/37/80/48/1049378048.db2.gz OFJVALZUDWCNHZ-BBWFWOEESA-N 1 0 374.485 2.900 20 5 FFBDRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)c2ccc([N+](=O)[O-])cc2N)CC1 ZINC001294102377 1049686638 /nfs/dbraw/zinc/68/66/38/1049686638.db2.gz RWLLRFUUIIDEIT-UHFFFAOYSA-N 1 0 368.437 2.914 20 5 FFBDRO CS[C@H]1CN(C(=O)CCc2c(Cl)cccc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC001295851281 1049991379 /nfs/dbraw/zinc/99/13/79/1049991379.db2.gz FCWQFHDVSGCQFE-GJZGRUSLSA-N 1 0 371.890 2.685 20 5 FFBDRO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC001341651276 1050275148 /nfs/dbraw/zinc/27/51/48/1050275148.db2.gz BECOIWWWSJTABJ-HZPDHXFCSA-N 1 0 363.461 2.517 20 5 FFBDRO Cn1c([C@H]2CCC[N@H+](C)C2)nnc1N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001340007459 1050419288 /nfs/dbraw/zinc/41/92/88/1050419288.db2.gz JGZNIDNFYZNZRO-HNNXBMFYSA-N 1 0 370.457 2.702 20 5 FFBDRO CN(CCc1cccc([N+](=O)[O-])c1)c1nnc([C@@H]2CCCCN2C)n1C ZINC001340040696 1050451418 /nfs/dbraw/zinc/45/14/18/1050451418.db2.gz UGVGENXPRKUUHC-INIZCTEOSA-N 1 0 358.446 2.559 20 5 FFBDRO C[NH+](C)[C@H]1C[C@@H](NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1(C)C ZINC001299820289 1050614954 /nfs/dbraw/zinc/61/49/54/1050614954.db2.gz DUCUUNNNJNXVGO-KGLIPLIRSA-N 1 0 357.813 2.775 20 5 FFBDRO Cn1ccnc1C[C@H]1CCC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC001342038241 1050635203 /nfs/dbraw/zinc/63/52/03/1050635203.db2.gz VDHMPWVIGQCOMJ-CQSZACIVSA-N 1 0 372.425 2.554 20 5 FFBDRO Cc1c(C(=O)N[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cccc1[N+](=O)[O-] ZINC001342231112 1050820916 /nfs/dbraw/zinc/82/09/16/1050820916.db2.gz FSUJWRXXGKKICK-OXQOHEQNSA-N 1 0 367.405 2.889 20 5 FFBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)c3ccc(F)cc3)c2)CC1 ZINC001340881602 1051213963 /nfs/dbraw/zinc/21/39/63/1051213963.db2.gz MFBMKBKEEILRMV-UHFFFAOYSA-N 1 0 358.373 2.738 20 5 FFBDRO [NH3+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C[C@H]1c1ccccc1 ZINC001340923933 1051251900 /nfs/dbraw/zinc/25/19/00/1051251900.db2.gz TXLLJHVYYTVUTD-ZSYWTGECSA-N 1 0 351.406 2.652 20 5 FFBDRO CCn1c(C[N+](=O)[O-])nnc1N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001342650853 1051258111 /nfs/dbraw/zinc/25/81/11/1051258111.db2.gz HJTRLLSLXDGLOW-OAHLLOKOSA-N 1 0 364.494 2.556 20 5 FFBDRO C[NH2+]C[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC001341063118 1051404043 /nfs/dbraw/zinc/40/40/43/1051404043.db2.gz GUPSNAMERAYIPZ-NSHDSACASA-N 1 0 356.220 2.571 20 5 FFBDRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC001343003608 1051620428 /nfs/dbraw/zinc/62/04/28/1051620428.db2.gz XPZIXRHBRPDCEL-MSOLQXFVSA-N 1 0 360.458 2.796 20 5 FFBDRO COc1cc(C(=O)N2CCC(C[NH3+])(c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC001341318177 1051672607 /nfs/dbraw/zinc/67/26/07/1051672607.db2.gz HKGABDDCIURUAJ-UHFFFAOYSA-N 1 0 369.421 2.736 20 5 FFBDRO CC(C)[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC001305228136 1051839829 /nfs/dbraw/zinc/83/98/29/1051839829.db2.gz XMNDZOZUTTYPKP-QFBILLFUSA-N 1 0 374.485 2.752 20 5 FFBDRO Nc1cc(CCCCNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)cc[nH+]1 ZINC001306090951 1052014993 /nfs/dbraw/zinc/01/49/93/1052014993.db2.gz NTVQJQKTFICTBA-UHFFFAOYSA-N 1 0 353.382 2.806 20 5 FFBDRO COC(=O)COc1ccc([C@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)cc1 ZINC001307664960 1052332466 /nfs/dbraw/zinc/33/24/66/1052332466.db2.gz OWIKWHHMNFAPJV-AWEZNQCLSA-N 1 0 374.393 2.876 20 5 FFBDRO COc1ccc([C@@H]2CN(CCOc3cccc([N+](=O)[O-])c3)CC[NH2+]2)cc1 ZINC001308012324 1052383057 /nfs/dbraw/zinc/38/30/57/1052383057.db2.gz AYVOZBMTFUPIEG-IBGZPJMESA-N 1 0 357.410 2.629 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](c1ccncc1)C1CC1 ZINC001308139421 1052415709 /nfs/dbraw/zinc/41/57/09/1052415709.db2.gz JOVMONUPDLMTHC-SFHVURJKSA-N 1 0 356.382 2.678 20 5 FFBDRO COc1ccc(CNc2ccc(N3CC[C@H]([NH+](C)C)C3)cn2)cc1[N+](=O)[O-] ZINC001308336993 1052448087 /nfs/dbraw/zinc/44/80/87/1052448087.db2.gz HQIOBQACDLPTMP-INIZCTEOSA-N 1 0 371.441 2.751 20 5 FFBDRO O=C(N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1cc(F)ccc1[N+](=O)[O-] ZINC001345559298 1052510063 /nfs/dbraw/zinc/51/00/63/1052510063.db2.gz IPGSWWCZNUEMJO-KXBFYZLASA-N 1 0 371.368 2.720 20 5 FFBDRO COC(=O)C1(C2(O)CC[NH+]([C@@H](C)c3ccccc3[N+](=O)[O-])CC2)CCC1 ZINC001334747675 1053058639 /nfs/dbraw/zinc/05/86/39/1053058639.db2.gz KEVLDUXONXZJJW-AWEZNQCLSA-N 1 0 362.426 2.826 20 5 FFBDRO Cn1ccnc1[C@@H](Cc1ccccc1)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001335413968 1053346033 /nfs/dbraw/zinc/34/60/33/1053346033.db2.gz UFSBUZCURSOZIP-RTBURBONSA-N 1 0 366.421 2.935 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)Nc3ccc([N+](=O)[O-])cc3F)C[C@H]2C1 ZINC001336273966 1053890308 /nfs/dbraw/zinc/89/03/08/1053890308.db2.gz ZBVUBBSQKCNRCI-JHJVBQTASA-N 1 0 350.394 2.928 20 5 FFBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@]23C[N@H+](C)C[C@@]2(C1)CCCC3 ZINC001336294088 1053905384 /nfs/dbraw/zinc/90/53/84/1053905384.db2.gz DVAUKCCUQLOYGW-KDURUIRLSA-N 1 0 358.442 2.585 20 5 FFBDRO C[C@@](O)(C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 ZINC001336794867 1054233435 /nfs/dbraw/zinc/23/34/35/1054233435.db2.gz ONGKVOVYWQJAQZ-DLBZAZTESA-N 1 0 350.802 2.779 20 5 FFBDRO O=C(O[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 ZINC001348361235 1054653245 /nfs/dbraw/zinc/65/32/45/1054653245.db2.gz CDDMLAZHDRTAMF-WMZOPIPTSA-N 1 0 370.409 2.623 20 5 FFBDRO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cc(Cl)cc(Cl)c3[N+](=O)[O-])[C@@H]2C1 ZINC001337834529 1055046131 /nfs/dbraw/zinc/04/61/31/1055046131.db2.gz PPBQMVYJPSBEAS-RLCGTCKNSA-N 1 0 358.225 2.972 20 5 FFBDRO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000847176520 1055183936 /nfs/dbraw/zinc/18/39/36/1055183936.db2.gz BXVLQIZKDDWJTR-DRXRFOTISA-N 1 0 361.442 2.612 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)C[C@@H]2C1 ZINC001352172963 1055242162 /nfs/dbraw/zinc/24/21/62/1055242162.db2.gz YREYWUZUUFUEGV-MELADBBJSA-N 1 0 356.426 2.878 20 5 FFBDRO CCn1c([C@@H](C)[N+](=O)[O-])nnc1N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001356351147 1055467717 /nfs/dbraw/zinc/46/77/17/1055467717.db2.gz IOHXSDSUZVOODC-NVXWUHKLSA-N 1 0 372.473 2.594 20 5 FFBDRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3ccc([N+](=O)[O-])s3)n2C)C1 ZINC001338716772 1055755299 /nfs/dbraw/zinc/75/52/99/1055755299.db2.gz BCNJBENWZIGFEE-GFCCVEGCSA-N 1 0 364.475 2.620 20 5 FFBDRO [NH3+][C@H]1CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC[C@@H]1C(F)(F)F ZINC001358130860 1056155793 /nfs/dbraw/zinc/15/57/93/1056155793.db2.gz SERVQTFQEIRFAX-UWVGGRQHSA-N 1 0 351.712 2.600 20 5 FFBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCC[N@@H+]1C ZINC001339263506 1056267608 /nfs/dbraw/zinc/26/76/08/1056267608.db2.gz GTUHXCGXRPJCAE-AWEZNQCLSA-N 1 0 367.471 2.547 20 5 FFBDRO CCc1ccc([N+](=O)[O-])cc1-c1nnc(N2CCC[N@@H+](C(C)C)CC2)n1C ZINC001339270433 1056272721 /nfs/dbraw/zinc/27/27/21/1056272721.db2.gz AFEIBDXGYQOULD-UHFFFAOYSA-N 1 0 372.473 2.873 20 5 FFBDRO C[C@H](Nc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1)[C@@H]1CN(C)CCO1 ZINC000619527315 1056555478 /nfs/dbraw/zinc/55/54/78/1056555478.db2.gz HHABEHLAVPCCIL-LRDDRELGSA-N 1 0 360.389 2.927 20 5 FFBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001443869690 1058250664 /nfs/dbraw/zinc/25/06/64/1058250664.db2.gz PHZQXTMTLLDICF-CQSZACIVSA-N 1 0 356.426 2.934 20 5 FFBDRO CS[C@H](C)CCC(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001518552027 1058419405 /nfs/dbraw/zinc/41/94/05/1058419405.db2.gz VGASGJBKSAWOCK-CYBMUJFWSA-N 1 0 366.487 2.817 20 5 FFBDRO C[C@@H](COC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)[NH+]1CCCCC1 ZINC000847958865 1058516395 /nfs/dbraw/zinc/51/63/95/1058516395.db2.gz DLPOISXGTSAISF-AWEZNQCLSA-N 1 0 358.398 2.812 20 5 FFBDRO C[NH+](C)CCOc1ccc(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)cc1F ZINC001451196505 1059092345 /nfs/dbraw/zinc/09/23/45/1059092345.db2.gz LCUZSRLWCGNDLZ-UHFFFAOYSA-N 1 0 362.361 2.509 20 5 FFBDRO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001454577838 1059572487 /nfs/dbraw/zinc/57/24/87/1059572487.db2.gz NEATUMJGVYZONM-HNNXBMFYSA-N 1 0 359.813 2.905 20 5 FFBDRO CC[NH+](CC)[C@@H](C)Cn1c(C)nnc1N(C)Cc1ccccc1[N+](=O)[O-] ZINC001515498918 1059679616 /nfs/dbraw/zinc/67/96/16/1059679616.db2.gz CHEPLOAFVJFPHQ-AWEZNQCLSA-N 1 0 360.462 2.861 20 5 FFBDRO COc1cc(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)c([N+](=O)[O-])cc1F ZINC001520499192 1059737116 /nfs/dbraw/zinc/73/71/16/1059737116.db2.gz OGTUZZVOQQIUBF-UHFFFAOYSA-N 1 0 357.301 2.576 20 5 FFBDRO C[NH+](C)CC[C@@H]1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC001455640066 1059848312 /nfs/dbraw/zinc/84/83/12/1059848312.db2.gz MMRZWAMPXYGLKX-LLVKDONJSA-N 1 0 370.247 2.771 20 5 FFBDRO CC(C)(C)[N@@H+]1CCCN(CN2CC[C@@H](c3ccc([N+](=O)[O-])cc3)C2=O)CC1 ZINC000848476566 1060098420 /nfs/dbraw/zinc/09/84/20/1060098420.db2.gz AYDGYFSKRMFKIS-SFHVURJKSA-N 1 0 374.485 2.674 20 5 FFBDRO O=C1[C@H](c2ccc([N+](=O)[O-])cc2)CCN1C[N@@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000848481646 1060119305 /nfs/dbraw/zinc/11/93/05/1060119305.db2.gz BBVNPTUNUFXBNZ-SCTDSRPQSA-N 1 0 373.453 2.617 20 5 FFBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)C1 ZINC000848587543 1060319493 /nfs/dbraw/zinc/31/94/93/1060319493.db2.gz JHXFRLKGRDFVCU-ZDUSSCGKSA-N 1 0 371.384 2.757 20 5 FFBDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)C(F)(F)Oc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000848591522 1060322492 /nfs/dbraw/zinc/32/24/92/1060322492.db2.gz VDIKUNAEBKPALE-INIZCTEOSA-N 1 0 369.368 2.511 20 5 FFBDRO CC1=CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H](C)[NH+](C)C)CC1 ZINC001511393125 1060339609 /nfs/dbraw/zinc/33/96/09/1060339609.db2.gz JQIJKVRWLASBNL-OAHLLOKOSA-N 1 0 370.457 2.960 20 5 FFBDRO Cc1c(CC(=O)N2CCCc3cc(CC[NH3+])ccc32)cccc1[N+](=O)[O-] ZINC001355626021 1060435737 /nfs/dbraw/zinc/43/57/37/1060435737.db2.gz FWFPOODGWYLCAJ-UHFFFAOYSA-N 1 0 353.422 2.926 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC001458536385 1060615650 /nfs/dbraw/zinc/61/56/50/1060615650.db2.gz LUQCAPLZXIEMSQ-UHFFFAOYSA-N 1 0 373.413 2.897 20 5 FFBDRO CCOc1cc(N2CC[NH+](CC[C@@H](O)C(C)C)CC2)ccc1[N+](=O)[O-] ZINC001460042729 1060882203 /nfs/dbraw/zinc/88/22/03/1060882203.db2.gz ALOCPZCGKWZVDC-QGZVFWFLSA-N 1 0 351.447 2.523 20 5 FFBDRO COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC001460093929 1060895571 /nfs/dbraw/zinc/89/55/71/1060895571.db2.gz JHPWDQVEKBWPJG-BEFAXECRSA-N 1 0 372.421 2.984 20 5 FFBDRO CCC[N@H+](CC)C[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC001475360108 1061062080 /nfs/dbraw/zinc/06/20/80/1061062080.db2.gz LZTJRNFJTZNSIT-AWEZNQCLSA-N 1 0 357.476 2.610 20 5 FFBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H]1c2ccccc2CC[C@@H]1[NH+]1CCCC1 ZINC001526388670 1061108205 /nfs/dbraw/zinc/10/82/05/1061108205.db2.gz XTEHGMCSRBHJGL-PKOBYXMFSA-N 1 0 368.437 2.815 20 5 FFBDRO O=C(CC[NH+]1CCC(c2ncccn2)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC001460805456 1061110454 /nfs/dbraw/zinc/11/04/54/1061110454.db2.gz IIAJEMONHWDQJQ-UHFFFAOYSA-N 1 0 373.388 2.732 20 5 FFBDRO COC(=O)C[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C(C)(C)C ZINC001460829331 1061118987 /nfs/dbraw/zinc/11/89/87/1061118987.db2.gz BWHHNEAWOYWLJZ-CYBMUJFWSA-N 1 0 371.821 2.754 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1CCOC12CCCCC2 ZINC001460892256 1061141549 /nfs/dbraw/zinc/14/15/49/1061141549.db2.gz UKXUYAQDQFGDPR-MRXNPFEDSA-N 1 0 363.414 2.623 20 5 FFBDRO O=[N+]([O-])c1ccc(F)cc1CN1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001460937934 1061156181 /nfs/dbraw/zinc/15/61/81/1061156181.db2.gz DKXGQNUZPKUDEE-UHFFFAOYSA-N 1 0 351.422 2.547 20 5 FFBDRO CCNC(=O)C1(C[NH2+]Cc2c(Br)cccc2[N+](=O)[O-])CCC1 ZINC001461459151 1061323217 /nfs/dbraw/zinc/32/32/17/1061323217.db2.gz DEJIYJINFXCNST-UHFFFAOYSA-N 1 0 370.247 2.753 20 5 FFBDRO COCC[C@@H](C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)NC(=O)OC(C)(C)C ZINC001461699579 1061383390 /nfs/dbraw/zinc/38/33/90/1061383390.db2.gz XSCFIDUSKQSSIH-HNNXBMFYSA-N 1 0 367.446 2.923 20 5 FFBDRO C[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)C1CC1)[N@H+](C)C1CC1 ZINC001360536354 1061980578 /nfs/dbraw/zinc/98/05/78/1061980578.db2.gz MBLLYSGTTBZRHQ-CYBMUJFWSA-N 1 0 370.457 2.935 20 5 FFBDRO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)CC(C)C ZINC001463305078 1062043563 /nfs/dbraw/zinc/04/35/63/1062043563.db2.gz BLSJXGLSNAKLGZ-OAHLLOKOSA-N 1 0 371.503 2.938 20 5 FFBDRO C[C@H]1CC[N@H+](CCNC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC001479476662 1062452627 /nfs/dbraw/zinc/45/26/27/1062452627.db2.gz NAPCDZOZGWIFTF-DOTOQJQBSA-N 1 0 360.458 2.826 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCCC[C@H]1[C@H](C)C[NH+](C)C ZINC001464166989 1062458589 /nfs/dbraw/zinc/45/85/89/1062458589.db2.gz LMDQKDVBTKNFNX-CABCVRRESA-N 1 0 369.487 2.644 20 5 FFBDRO COc1ccc(NC(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)cc1[N+](=O)[O-] ZINC001465980371 1063287650 /nfs/dbraw/zinc/28/76/50/1063287650.db2.gz ZTAXFRIVRXWLSY-UHFFFAOYSA-N 1 0 374.401 2.711 20 5 FFBDRO Cc1c(NC(=O)NCC[NH+]2CC=CC2)cc([N+](=O)[O-])cc1C(F)(F)F ZINC001467398724 1063733546 /nfs/dbraw/zinc/73/35/46/1063733546.db2.gz AXYCFXPFBUAJFL-UHFFFAOYSA-N 1 0 358.320 2.915 20 5 FFBDRO CC(C)[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC001472327330 1065016838 /nfs/dbraw/zinc/01/68/38/1065016838.db2.gz FSXBFZLRVLQPKL-FUHWJXTLSA-N 1 0 361.442 2.695 20 5 FFBDRO CC(C)Oc1cc(C(=O)Nc2cccc(OCC[NH3+])c2)ccc1[N+](=O)[O-] ZINC001575798047 1078168891 /nfs/dbraw/zinc/16/88/91/1078168891.db2.gz CNROORPTTQNMTA-UHFFFAOYSA-N 1 0 359.382 2.972 20 5 FFBDRO CC1(C)CCC[N@@H+]1CCNc1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-] ZINC001472804344 1065148264 /nfs/dbraw/zinc/14/82/64/1065148264.db2.gz XVFIIWXVTZYJAJ-UHFFFAOYSA-N 1 0 359.386 2.759 20 5 FFBDRO COc1cccc(C[C@@H]2CN(c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC[NH2+]2)c1 ZINC001472906265 1065172125 /nfs/dbraw/zinc/17/21/25/1065172125.db2.gz DPRHWRVPRTWVQP-CQSZACIVSA-N 1 0 372.381 2.533 20 5 FFBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC001473416821 1065259756 /nfs/dbraw/zinc/25/97/56/1065259756.db2.gz VIOLRXNMFWDQAT-OAQYLSRUSA-N 1 0 369.465 2.706 20 5 FFBDRO C[C@@]([NH3+])(C(=O)N[C@@H]1CCOc2c(F)cccc21)c1cccc([N+](=O)[O-])c1 ZINC001576081690 1078193861 /nfs/dbraw/zinc/19/38/61/1078193861.db2.gz OFSAIDRJSHNCRC-QAPCUYQASA-N 1 0 359.357 2.548 20 5 FFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H](Cn2ccnc2)c2ccccc2)cc1 ZINC001473748185 1065344248 /nfs/dbraw/zinc/34/42/48/1065344248.db2.gz WLJZDVREEMSSNX-OALUTQOASA-N 1 0 352.394 2.856 20 5 FFBDRO Cc1ccc([C@@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2C)N2CCOCC2)o1 ZINC001473918336 1065418072 /nfs/dbraw/zinc/41/80/72/1065418072.db2.gz QEYOTKWXHXXXSU-GOSISDBHSA-N 1 0 359.426 2.968 20 5 FFBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NCc1c(Br)cccc1[N+](=O)[O-] ZINC001474060808 1065448946 /nfs/dbraw/zinc/44/89/46/1065448946.db2.gz BJPMDCKOBHMODW-IINYFYTJSA-N 1 0 354.248 2.930 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(C[NH2+][C@H](CO)[C@@H]2CCOC2)o1 ZINC001474094917 1065455040 /nfs/dbraw/zinc/45/50/40/1065455040.db2.gz ZZUFOIFFZQMMCB-IAQYHMDHSA-N 1 0 366.801 2.995 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC001576282711 1078212237 /nfs/dbraw/zinc/21/22/37/1078212237.db2.gz GWVCISUGGLJDMD-DGCLKSJQSA-N 1 0 355.822 2.745 20 5 FFBDRO CC[NH2+]CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CCC(C)C ZINC001577858571 1078409054 /nfs/dbraw/zinc/40/90/54/1078409054.db2.gz ZDDJFTSWCAYPSJ-UHFFFAOYSA-N 1 0 360.462 2.945 20 5 FFBDRO CN(C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)C1(C[NH3+])CCCCC1 ZINC001578392475 1078468495 /nfs/dbraw/zinc/46/84/95/1078468495.db2.gz AXSHWOOKRMBBDR-UHFFFAOYSA-N 1 0 357.414 2.514 20 5 FFBDRO C[NH2+][C@@H](CNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)Cc1ccccc1 ZINC001578590432 1078496088 /nfs/dbraw/zinc/49/60/88/1078496088.db2.gz SUYWEOGIVQXWLG-UKRRQHHQSA-N 1 0 359.401 2.784 20 5 FFBDRO C[NH2+][C@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)Cc1ccccc1 ZINC001578591901 1078496192 /nfs/dbraw/zinc/49/61/92/1078496192.db2.gz VBBCMTWIWJYJCH-HNNXBMFYSA-N 1 0 353.378 2.902 20 5 FFBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC001579515900 1078638310 /nfs/dbraw/zinc/63/83/10/1078638310.db2.gz FEZMJZSXVHASDN-ZJUUUORDSA-N 1 0 356.220 2.523 20 5 FFBDRO C[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2(C)CCC2)CC[NH2+]1 ZINC001579489540 1078635514 /nfs/dbraw/zinc/63/55/14/1078635514.db2.gz KAJCHVFJADNHPG-AWEZNQCLSA-N 1 0 370.457 2.842 20 5 FFBDRO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc21)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001580810172 1078867770 /nfs/dbraw/zinc/86/77/70/1078867770.db2.gz KKWIQKGDNCSOPG-UONOGXRCSA-N 1 0 356.426 2.928 20 5 FFBDRO CC(C)(C(=O)N1CC[NH2+][C@@H](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC001557866410 1075902848 /nfs/dbraw/zinc/90/28/48/1075902848.db2.gz UFZWNYHNNKVQTA-SFHVURJKSA-N 1 0 367.449 2.916 20 5 FFBDRO CNc1c(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C)cc3)C2)cccc1[N+](=O)[O-] ZINC001558020631 1075929718 /nfs/dbraw/zinc/92/97/18/1075929718.db2.gz QOYRUQZJIMQHIX-INIZCTEOSA-N 1 0 368.437 2.949 20 5 FFBDRO C[C@@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001585774456 1079499332 /nfs/dbraw/zinc/49/93/32/1079499332.db2.gz AGRLUSPIWAYBHY-XJKSGUPXSA-N 1 0 351.422 2.855 20 5 FFBDRO CC[NH+](CC)[C@@H](CNc1nccc(C(=O)OC)c1[N+](=O)[O-])CC(C)C ZINC001559062474 1076121958 /nfs/dbraw/zinc/12/19/58/1076121958.db2.gz YWFKQENEQNHSMC-CYBMUJFWSA-N 1 0 352.435 2.945 20 5 FFBDRO CC(C)[C@H](CCO)[NH2+]Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001559734960 1076186392 /nfs/dbraw/zinc/18/63/92/1076186392.db2.gz BEQLCQOEVQWGBL-LBPRGKRZSA-N 1 0 354.794 2.795 20 5 FFBDRO COc1c(O)ccc(C[NH2+][C@H]2CN(Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC001560736070 1076295089 /nfs/dbraw/zinc/29/50/89/1076295089.db2.gz GAQJCHCNANGZKR-YOEHRIQHSA-N 1 0 371.437 2.919 20 5 FFBDRO C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2N)C[N@@H+]1Cc1ccccc1 ZINC001566338701 1076948018 /nfs/dbraw/zinc/94/80/18/1076948018.db2.gz QCLCYRVGQOFNFO-HIFRSBDPSA-N 1 0 354.410 2.570 20 5 FFBDRO Cc1cc(C)c(C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCCC2)c(C)c1 ZINC001568235615 1077079629 /nfs/dbraw/zinc/07/96/29/1077079629.db2.gz ROOXXTKWCGIDPG-SJLPKXTDSA-N 1 0 359.470 2.796 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1[C@H](C)C[N@H+](C)[C@@H](C)[C@H]1C ZINC001586370762 1079613818 /nfs/dbraw/zinc/61/38/18/1079613818.db2.gz LHTHYIIXTJIVCQ-XQHKEYJVSA-N 1 0 369.849 2.955 20 5 FFBDRO CC(C)([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1cccc(-c2nn[nH]n2)c1 ZINC001589321787 1080481992 /nfs/dbraw/zinc/48/19/92/1080481992.db2.gz PXZAPUPQFGLCDO-UHFFFAOYSA-N 1 0 368.397 2.679 20 5 FFBDRO C[C@@H](c1cccc(-c2nn[nH]n2)c1)[N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001590043549 1080969870 /nfs/dbraw/zinc/96/98/70/1080969870.db2.gz OTQAGNNWJNGXFB-YVEFUNNKSA-N 1 0 368.397 2.501 20 5 FFBDRO C[C@H]1C[C@H](C)C[NH+](CCCNc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC001590189957 1081079521 /nfs/dbraw/zinc/07/95/21/1081079521.db2.gz YAGNRZJZGSDGTN-STQMWFEESA-N 1 0 359.434 2.555 20 5 FFBDRO CC(C)[C@@H](CNc1cc(-c2nn[nH]n2)ccc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC001590268921 1081133579 /nfs/dbraw/zinc/13/35/79/1081133579.db2.gz GZCGBTKJEVNAPV-QGZVFWFLSA-N 1 0 373.461 2.943 20 5 FFBDRO C[NH+](C)CCCC(C)(C)NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000451904156 514057523 /nfs/dbraw/zinc/05/75/23/514057523.db2.gz JQNIJDXKBMVXST-UHFFFAOYSA-N 1 0 363.867 2.647 20 5 FFBDRO CCOC(=O)[C@H]1CCC[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000026218870 249341386 /nfs/dbraw/zinc/34/13/86/249341386.db2.gz ODJKTBUQEIRPCK-AWEZNQCLSA-N 1 0 363.414 2.507 20 5 FFBDRO C[C@H]1C[C@H](C)CN(c2ccc(C(=O)NC3CC[NH+](C)CC3)cc2[N+](=O)[O-])C1 ZINC000031224312 249360607 /nfs/dbraw/zinc/36/06/07/249360607.db2.gz CVWIADLKRGMWBQ-GJZGRUSLSA-N 1 0 374.485 2.901 20 5 FFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000056330663 249565983 /nfs/dbraw/zinc/56/59/83/249565983.db2.gz PRJYOJNAOFHRBU-UHFFFAOYSA-N 1 0 355.398 2.776 20 5 FFBDRO CN(CC1CC[NH+](C)CC1)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000103453735 250150387 /nfs/dbraw/zinc/15/03/87/250150387.db2.gz DECKSCMCJQKWEU-UHFFFAOYSA-N 1 0 360.458 2.609 20 5 FFBDRO Cc1c(C(=O)N(C)CC2CC[NH+](C)CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000103450846 250151483 /nfs/dbraw/zinc/15/14/83/250151483.db2.gz MHSQCRYKCRKPOT-UHFFFAOYSA-N 1 0 364.402 2.534 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)cc1C ZINC000106891195 250295955 /nfs/dbraw/zinc/29/59/55/250295955.db2.gz JXMMKJSWBRFXBN-AWEZNQCLSA-N 1 0 367.471 2.507 20 5 FFBDRO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000152952913 251085192 /nfs/dbraw/zinc/08/51/92/251085192.db2.gz PNKQJXYDRAMVGN-ZDUSSCGKSA-N 1 0 354.410 2.890 20 5 FFBDRO CC[C@H]1CN(CCOc2ccc(OC)cc2[N+](=O)[O-])CCN1CC(F)F ZINC000153424550 251135827 /nfs/dbraw/zinc/13/58/27/251135827.db2.gz GIPACIOSLVHAQE-ZDUSSCGKSA-N 1 0 373.400 2.644 20 5 FFBDRO Cn1cc(C[N@H+](C)C[C@@H]2CCCC[C@@H]2O)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000181098989 251241443 /nfs/dbraw/zinc/24/14/43/251241443.db2.gz GWYQKHAXGFFSRA-YJBOKZPZSA-N 1 0 358.442 2.978 20 5 FFBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000181185846 251255686 /nfs/dbraw/zinc/25/56/86/251255686.db2.gz XSYODHLLGOLIPJ-QAPCUYQASA-N 1 0 357.410 2.514 20 5 FFBDRO O=C(CC[N@@H+]1CCSC2(CCOCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000186811752 251266905 /nfs/dbraw/zinc/26/69/05/251266905.db2.gz KVCLVESFSCERCP-UHFFFAOYSA-N 1 0 365.455 2.521 20 5 FFBDRO C[NH+]1CCC([C@@H]2CCN(c3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)C2)CC1 ZINC000270185823 251485621 /nfs/dbraw/zinc/48/56/21/251485621.db2.gz NSZNRIDUMCNLQN-OAHLLOKOSA-N 1 0 358.442 2.648 20 5 FFBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)NCCCCc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000272637981 252088419 /nfs/dbraw/zinc/08/84/19/252088419.db2.gz XXZFFXKZMQFLEP-FUHWJXTLSA-N 1 0 360.458 2.653 20 5 FFBDRO CCOc1cccc(N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c1[N+](=O)[O-] ZINC000273150083 252233203 /nfs/dbraw/zinc/23/32/03/252233203.db2.gz HLPWRIPFSIJYEK-INIZCTEOSA-N 1 0 362.474 2.600 20 5 FFBDRO CS[C@@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)C[C@H]1[NH+]1CCCC1 ZINC000273458051 252309742 /nfs/dbraw/zinc/30/97/42/252309742.db2.gz DWOGRQIHSINWGD-IAGOWNOFSA-N 1 0 363.483 2.566 20 5 FFBDRO Cc1ccc(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)cc1[N+](=O)[O-] ZINC000057166028 221083566 /nfs/dbraw/zinc/08/35/66/221083566.db2.gz ZYTOISORGBYOAU-UHFFFAOYSA-N 1 0 354.410 2.693 20 5 FFBDRO Cc1c([C@@H](C)[NH2+][C@@H]2CCCN(S(=O)(=O)C3CC3)C2)cccc1[N+](=O)[O-] ZINC000285751429 257002892 /nfs/dbraw/zinc/00/28/92/257002892.db2.gz RZQUCQZSNKKBGC-ZIAGYGMSSA-N 1 0 367.471 2.510 20 5 FFBDRO CCN(CCC[NH+]1CCCC1)C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000276433056 256099589 /nfs/dbraw/zinc/09/95/89/256099589.db2.gz SMZFQCZZXDUHGZ-UHFFFAOYSA-N 1 0 350.419 2.943 20 5 FFBDRO COCCC[NH+]1CCC(NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000276505055 256106015 /nfs/dbraw/zinc/10/60/15/256106015.db2.gz AIKJIGLKSISYGG-UHFFFAOYSA-N 1 0 369.849 2.787 20 5 FFBDRO CCOC1CC(O)(C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000277451550 256199539 /nfs/dbraw/zinc/19/95/39/256199539.db2.gz AFBXNPDAKMUIMN-UHFFFAOYSA-N 1 0 363.439 2.738 20 5 FFBDRO C[NH+](C)[C@@H]1CCCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000277304098 256182518 /nfs/dbraw/zinc/18/25/18/256182518.db2.gz PIJJJVIJHAOFIZ-QGZVFWFLSA-N 1 0 374.485 2.754 20 5 FFBDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000277749898 256234808 /nfs/dbraw/zinc/23/48/08/256234808.db2.gz IZFMWWBFQWHGJU-CYBMUJFWSA-N 1 0 374.445 2.535 20 5 FFBDRO COc1cc(NCCC[N@@H+]2CCCO[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000278179556 256285121 /nfs/dbraw/zinc/28/51/21/256285121.db2.gz PNFZDZFDGUKKAT-CYBMUJFWSA-N 1 0 353.419 2.525 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(N2CC[C@H]([NH+](C)C)C2)cn1 ZINC000278418296 256310547 /nfs/dbraw/zinc/31/05/47/256310547.db2.gz BYHMPKPAZYTVCX-HNNXBMFYSA-N 1 0 369.425 2.691 20 5 FFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCC1CC[NH+](C2CC2)CC1 ZINC000278531728 256322757 /nfs/dbraw/zinc/32/27/57/256322757.db2.gz MVPZYWPDGUZEQV-UHFFFAOYSA-N 1 0 351.834 2.781 20 5 FFBDRO Cc1c(NC(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000278570365 256326745 /nfs/dbraw/zinc/32/67/45/256326745.db2.gz WSIKDRWYLGUEIK-ZDUSSCGKSA-N 1 0 362.430 2.620 20 5 FFBDRO CN(CC1CC[NH+](C)CC1)C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000280627023 256542646 /nfs/dbraw/zinc/54/26/46/256542646.db2.gz LKOLJMZXNUWCGS-UHFFFAOYSA-N 1 0 357.813 2.730 20 5 FFBDRO CNC(=O)CC[C@H]1CCCC[N@@H+]1Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000286266427 257028303 /nfs/dbraw/zinc/02/83/03/257028303.db2.gz BLIZFBFGHRWWIY-CYBMUJFWSA-N 1 0 353.394 2.623 20 5 FFBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000288355667 257179007 /nfs/dbraw/zinc/17/90/07/257179007.db2.gz WIUIJOAFPPHACD-GXTWGEPZSA-N 1 0 362.386 2.510 20 5 FFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CC[C@@](CO)(Cc3ccc(F)cc3)C2)c1 ZINC000288680380 257217837 /nfs/dbraw/zinc/21/78/37/257217837.db2.gz CRJXSCPJMDHXTE-VQTJNVASSA-N 1 0 374.412 2.694 20 5 FFBDRO [NH3+][C@H]1CCc2nc(NC(=O)Cc3ccc([N+](=O)[O-])cc3Cl)sc2C1 ZINC000288759185 257224377 /nfs/dbraw/zinc/22/43/77/257224377.db2.gz OBPNHKFNHCPLFI-VIFPVBQESA-N 1 0 366.830 2.702 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H](c2ccncc2)C1 ZINC000289346542 257275629 /nfs/dbraw/zinc/27/56/29/257275629.db2.gz MNSBGCTWCYPPMI-IRXDYDNUSA-N 1 0 357.410 2.609 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(Cc2noc(C3CC[NH+](C4CC4)CC3)n2)c1 ZINC000289187347 257264660 /nfs/dbraw/zinc/26/46/60/257264660.db2.gz WXTZQWTXUHFQGJ-UHFFFAOYSA-N 1 0 358.398 2.919 20 5 FFBDRO Cc1nc2n(n1)C[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])CC2 ZINC000289905177 257305878 /nfs/dbraw/zinc/30/58/78/257305878.db2.gz NJKVVLQQGDMFJZ-LLVKDONJSA-N 1 0 356.213 2.906 20 5 FFBDRO CC1(C)C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@H]1[C@@H]1CCCO1 ZINC000289969475 257309358 /nfs/dbraw/zinc/30/93/58/257309358.db2.gz XELNISAFCGOFOM-RDJZCZTQSA-N 1 0 365.405 2.952 20 5 FFBDRO Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000289603754 257289558 /nfs/dbraw/zinc/28/95/58/257289558.db2.gz WTWCMMSQYUVOLB-UHFFFAOYSA-N 1 0 370.457 2.845 20 5 FFBDRO CC(C)S(=O)(=O)CC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000290520159 257338287 /nfs/dbraw/zinc/33/82/87/257338287.db2.gz YXQDMBXEUVIRID-GDBMZVCRSA-N 1 0 354.472 2.719 20 5 FFBDRO Cc1cccc(C(=O)NCc2ccncc2OCCC[NH+](C)C)c1[N+](=O)[O-] ZINC000290719416 257354361 /nfs/dbraw/zinc/35/43/61/257354361.db2.gz VHJJTXRNKOIQTN-UHFFFAOYSA-N 1 0 372.425 2.559 20 5 FFBDRO O=C(NCCC[C@@H]1CCC[NH2+]1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000294800327 257603295 /nfs/dbraw/zinc/60/32/95/257603295.db2.gz IIJSNWPSTPUKNQ-ZDUSSCGKSA-N 1 0 360.439 2.980 20 5 FFBDRO O=C(NC1CC[NH+](CC2CC2)CC1)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000294382776 257585603 /nfs/dbraw/zinc/58/56/03/257585603.db2.gz IDIHOJIIZYNKCD-UHFFFAOYSA-N 1 0 369.425 2.589 20 5 FFBDRO COCC[N@@H+]1CCC[C@@H]1CNc1ccc(Br)cc1[N+](=O)[O-] ZINC000301160057 258030046 /nfs/dbraw/zinc/03/00/46/258030046.db2.gz OWJLRWZUJCSCLN-GFCCVEGCSA-N 1 0 358.236 2.880 20 5 FFBDRO Cc1nn(C)c(NCC2([NH2+][C@H](C)c3ccccc3)CCOCC2)c1[N+](=O)[O-] ZINC000301273367 258039078 /nfs/dbraw/zinc/03/90/78/258039078.db2.gz KIYHTJOKJLUMLQ-CQSZACIVSA-N 1 0 373.457 2.949 20 5 FFBDRO Cc1cnc(NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)c([N+](=O)[O-])c1 ZINC000302059727 258085456 /nfs/dbraw/zinc/08/54/56/258085456.db2.gz SJEWIUNJISEQIY-KRWDZBQOSA-N 1 0 356.426 2.867 20 5 FFBDRO Nc1nc(N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)ncc1[N+](=O)[O-] ZINC000302200700 258094702 /nfs/dbraw/zinc/09/47/02/258094702.db2.gz ZDZNDCPBRWHGEL-HRCADAONSA-N 1 0 368.441 2.680 20 5 FFBDRO Cn1ccnc1C(=O)c1ccc(N[C@@H]2CCC[C@H]([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000301506425 258053057 /nfs/dbraw/zinc/05/30/57/258053057.db2.gz CWJCUXYVKGSNAV-CABCVRRESA-N 1 0 371.441 2.844 20 5 FFBDRO Cc1c(CO)cc([N+](=O)[O-])c(N[C@@H]2CCC[C@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000301598896 258058069 /nfs/dbraw/zinc/05/80/69/258058069.db2.gz UFPHJTBMEWOSAP-OLZOCXBDSA-N 1 0 352.391 2.588 20 5 FFBDRO O=C1COc2cc([N+](=O)[O-])c(NC3CC[NH+](C4CCCC4)CC3)cc2N1 ZINC000301711987 258064444 /nfs/dbraw/zinc/06/44/44/258064444.db2.gz YCEPANCBTNLSQC-UHFFFAOYSA-N 1 0 360.414 2.745 20 5 FFBDRO CC(C)[C@@H](CNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-])[NH+]1CCCC1 ZINC000301905914 258074516 /nfs/dbraw/zinc/07/45/16/258074516.db2.gz QJYJRQFOFHEAFF-CQSZACIVSA-N 1 0 355.460 2.531 20 5 FFBDRO Cc1cc(N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000301978689 258079241 /nfs/dbraw/zinc/07/92/41/258079241.db2.gz ABAQLNOCPRHKKJ-SCLBCKFNSA-N 1 0 356.426 2.608 20 5 FFBDRO Cc1c(NC(=O)CC[N@@H+]2CC[C@H](C(C)(C)C)[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000330703348 258168717 /nfs/dbraw/zinc/16/87/17/258168717.db2.gz JBJJVTWLFBESQT-WMLDXEAASA-N 1 0 363.458 2.961 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@@H]2CCCC[N@H+]2C[C@H]1C ZINC000332007022 258209715 /nfs/dbraw/zinc/20/97/15/258209715.db2.gz JJQONTLPJIUVJF-WBVHZDCISA-N 1 0 360.458 2.790 20 5 FFBDRO CN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1cn2c(n1)CCCC2 ZINC000373002192 512127224 /nfs/dbraw/zinc/12/72/24/512127224.db2.gz ZSNWETRHNWAAEX-UHFFFAOYSA-N 1 0 357.414 2.588 20 5 FFBDRO C[N@@H+]1CCC[C@H]2CN(c3ncc(Br)cc3[N+](=O)[O-])CC[C@H]21 ZINC000227347195 509408191 /nfs/dbraw/zinc/40/81/91/509408191.db2.gz JRMUEUOWXNDUTD-CMPLNLGQSA-N 1 0 355.236 2.673 20 5 FFBDRO C[N@H+](CCCNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)Cc1ccccc1 ZINC000032766007 506291967 /nfs/dbraw/zinc/29/19/67/506291967.db2.gz PYJJHPNTKLPHRY-UHFFFAOYSA-N 1 0 367.409 2.723 20 5 FFBDRO COCC[C@H]1CCCC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000375103323 512163805 /nfs/dbraw/zinc/16/38/05/512163805.db2.gz CCTHYSRELDNCTL-OAHLLOKOSA-N 1 0 361.442 2.623 20 5 FFBDRO Cc1nn(C)c(NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)c1[N+](=O)[O-] ZINC000366858166 512221167 /nfs/dbraw/zinc/22/11/67/512221167.db2.gz NLJGAIAOCLHBQX-UHFFFAOYSA-N 1 0 361.368 2.854 20 5 FFBDRO C[C@H]1[C@H](NC(=O)c2cc([O-])ccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000377347245 512226168 /nfs/dbraw/zinc/22/61/68/512226168.db2.gz QVJKBELFWPQPOR-SUMWQHHRSA-N 1 0 355.394 2.693 20 5 FFBDRO C[NH+](C)Cc1cccc(NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)c1 ZINC000066304237 506475282 /nfs/dbraw/zinc/47/52/82/506475282.db2.gz UVMODVJOBDQORE-UHFFFAOYSA-N 1 0 357.366 2.680 20 5 FFBDRO CCC([NH3+])(CC)CNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415692515 513382919 /nfs/dbraw/zinc/38/29/19/513382919.db2.gz HCINRLMHHAMQMV-UHFFFAOYSA-N 1 0 359.224 2.996 20 5 FFBDRO CC[NH+]1CCN(Cc2ccccc2CNc2ccc([N+](=O)[O-])cn2)CC1 ZINC000041621017 506536928 /nfs/dbraw/zinc/53/69/28/506536928.db2.gz KBBXIEOLAPRWKG-UHFFFAOYSA-N 1 0 355.442 2.739 20 5 FFBDRO C[NH+](C)[C@@H](CNC(=O)NCCc1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000054540172 506574811 /nfs/dbraw/zinc/57/48/11/506574811.db2.gz LIDRIOKTABUIEA-HNNXBMFYSA-N 1 0 362.455 2.801 20 5 FFBDRO CC(C)C[NH+]1CCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000043008700 506686764 /nfs/dbraw/zinc/68/67/64/506686764.db2.gz LCEHMQZHHFWEEC-UHFFFAOYSA-N 1 0 374.485 2.611 20 5 FFBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000056168278 506952874 /nfs/dbraw/zinc/95/28/74/506952874.db2.gz LMBOFUVLFJHPMG-DOMZBBRYSA-N 1 0 372.400 2.881 20 5 FFBDRO COc1cccc([C@H](CNC(=O)NCc2cccc([N+](=O)[O-])c2)[NH+](C)C)c1 ZINC000067725839 506990492 /nfs/dbraw/zinc/99/04/92/506990492.db2.gz QHUAABFGLFTEPD-SFHVURJKSA-N 1 0 372.425 2.706 20 5 FFBDRO COc1ccc(CC(=O)N(CC[NH+](C)C)c2ccccc2)cc1[N+](=O)[O-] ZINC000067821663 507017379 /nfs/dbraw/zinc/01/73/79/507017379.db2.gz OPTLUFXYVDDWKJ-UHFFFAOYSA-N 1 0 357.410 2.741 20 5 FFBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000068085442 507105223 /nfs/dbraw/zinc/10/52/23/507105223.db2.gz OXWAEQIICRSNFG-ZIAGYGMSSA-N 1 0 373.457 2.959 20 5 FFBDRO C[N@H+](CCC(=O)NC(=O)Nc1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000046599269 507156400 /nfs/dbraw/zinc/15/64/00/507156400.db2.gz QTVNOVHOWDUZDT-UHFFFAOYSA-N 1 0 356.382 2.765 20 5 FFBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000046926375 507224402 /nfs/dbraw/zinc/22/44/02/507224402.db2.gz QRJHYQYOOSUUFN-UHFFFAOYSA-N 1 0 356.426 2.998 20 5 FFBDRO CCOc1cc(C(=O)N2CCC[N@@H+](C(C)C)CC2)c([N+](=O)[O-])cc1OC ZINC000068782655 507321229 /nfs/dbraw/zinc/32/12/29/507321229.db2.gz MGJNMOXOBKEMBH-UHFFFAOYSA-N 1 0 365.430 2.558 20 5 FFBDRO C[N@H+](CCNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)C1CCCCC1 ZINC000068900602 507355777 /nfs/dbraw/zinc/35/57/77/507355777.db2.gz YKGNANMRMQNRAV-UHFFFAOYSA-N 1 0 371.441 2.775 20 5 FFBDRO CCCC[NH+]1CCC(NS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])CC1 ZINC000068902713 507355910 /nfs/dbraw/zinc/35/59/10/507355910.db2.gz XGIRNWMGBZLOJK-UHFFFAOYSA-N 1 0 369.487 2.754 20 5 FFBDRO C[NH+](C)[C@H](CNC(=O)CCOc1ccccc1[N+](=O)[O-])c1ccsc1 ZINC000047624868 507366195 /nfs/dbraw/zinc/36/61/95/507366195.db2.gz GNSUOSZRWSIIFA-OAHLLOKOSA-N 1 0 363.439 2.844 20 5 FFBDRO O=C(COc1ccccc1[N+](=O)[O-])NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000023738358 507369996 /nfs/dbraw/zinc/36/99/96/507369996.db2.gz IBCWHDWPQHVFSS-SFHVURJKSA-N 1 0 369.421 2.927 20 5 FFBDRO CC(C)[N@@H+]1CCCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000069084150 507401569 /nfs/dbraw/zinc/40/15/69/507401569.db2.gz COFKZFJDOPDJBA-UHFFFAOYSA-N 1 0 354.838 2.603 20 5 FFBDRO O=[N+]([O-])c1cc(CN2CCC(C[NH+]3CCCC3)CC2)c2c(c1)COCO2 ZINC000047972716 507428257 /nfs/dbraw/zinc/42/82/57/507428257.db2.gz DCHNROBOBDEEKP-UHFFFAOYSA-N 1 0 361.442 2.769 20 5 FFBDRO Nc1c(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc(F)cc1[N+](=O)[O-] ZINC000048244511 507488323 /nfs/dbraw/zinc/48/83/23/507488323.db2.gz BDLLTUGHXNXMFK-UHFFFAOYSA-N 1 0 372.400 2.711 20 5 FFBDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000069530647 507511037 /nfs/dbraw/zinc/51/10/37/507511037.db2.gz NFDJTPRGYRKQKC-AWEZNQCLSA-N 1 0 363.439 2.650 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)cc1C ZINC000060443100 507545155 /nfs/dbraw/zinc/54/51/55/507545155.db2.gz ZVCCAVRVXZRPOZ-WFASDCNBSA-N 1 0 369.487 2.610 20 5 FFBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccc2c(c1)OCO2 ZINC000026257807 507572681 /nfs/dbraw/zinc/57/26/81/507572681.db2.gz NXLCTSIFXOXKNX-UHFFFAOYSA-N 1 0 357.366 2.784 20 5 FFBDRO O=C(CC1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1)N1CCCC1 ZINC000061048101 507593716 /nfs/dbraw/zinc/59/37/16/507593716.db2.gz HXLOZYMIFOFGSN-UHFFFAOYSA-N 1 0 361.442 2.698 20 5 FFBDRO C[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1F ZINC000026713444 507604577 /nfs/dbraw/zinc/60/45/77/507604577.db2.gz MQTQKDSPIDOOMO-FZMZJTMJSA-N 1 0 352.337 2.964 20 5 FFBDRO C[NH+](C)C1(CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CCCCCC1 ZINC000026956666 507623859 /nfs/dbraw/zinc/62/38/59/507623859.db2.gz QPUKOUPMAOJRIJ-UHFFFAOYSA-N 1 0 355.460 2.528 20 5 FFBDRO CNc1ccc(C(=O)NC[C@H](c2cccc(OC)c2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000027594956 507669782 /nfs/dbraw/zinc/66/97/82/507669782.db2.gz PKSQAFALNBNQKU-GOSISDBHSA-N 1 0 372.425 2.678 20 5 FFBDRO O=[N+]([O-])c1cc(Br)cnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000062984530 507690154 /nfs/dbraw/zinc/69/01/54/507690154.db2.gz VMTATPMSQCSXSX-LBPRGKRZSA-N 1 0 355.236 2.817 20 5 FFBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000063311321 507717554 /nfs/dbraw/zinc/71/75/54/507717554.db2.gz UOXWQMXMOBSZET-UHFFFAOYSA-N 1 0 367.471 2.528 20 5 FFBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000063693216 507759792 /nfs/dbraw/zinc/75/97/92/507759792.db2.gz SKKFCLXXZLMTQP-OAHLLOKOSA-N 1 0 371.441 2.631 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N3CCC([NH+](C)C)CC3)cc2[N+](=O)[O-])CC1 ZINC000063735254 507765642 /nfs/dbraw/zinc/76/56/42/507765642.db2.gz AKGGUYUZRMXMQT-UHFFFAOYSA-N 1 0 374.485 2.997 20 5 FFBDRO COc1cc(CN2CC[NH+](CC3CC3)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000052165272 507799629 /nfs/dbraw/zinc/79/96/29/507799629.db2.gz VEQNCMFDGMJFGH-UHFFFAOYSA-N 1 0 371.384 2.732 20 5 FFBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000064725725 507807405 /nfs/dbraw/zinc/80/74/05/507807405.db2.gz XEGSQJYZHYUEFA-HLLBOEOZSA-N 1 0 361.442 2.837 20 5 FFBDRO Cc1cc(NC(=O)C2CC[NH+](CCOc3ccccc3[N+](=O)[O-])CC2)no1 ZINC000052404048 507807997 /nfs/dbraw/zinc/80/79/97/507807997.db2.gz DZCNSWPXABWGAO-UHFFFAOYSA-N 1 0 374.397 2.621 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2noc(CN3CC[NH+](C4CCCC4)CC3)n2)cc1 ZINC000052556885 507813791 /nfs/dbraw/zinc/81/37/91/507813791.db2.gz PXPUCEXYVPCELN-UHFFFAOYSA-N 1 0 357.414 2.705 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000072603515 507829815 /nfs/dbraw/zinc/82/98/15/507829815.db2.gz MTDNLYTUFPOFIW-QGZVFWFLSA-N 1 0 360.458 2.792 20 5 FFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(CC(=O)N2CCN(C)CC2)CC1 ZINC000072630429 507834055 /nfs/dbraw/zinc/83/40/55/507834055.db2.gz DXKGPXUIMHFQFC-INIZCTEOSA-N 1 0 374.485 2.532 20 5 FFBDRO COc1cc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)ccc1S(C)(=O)=O ZINC000089513482 507844397 /nfs/dbraw/zinc/84/43/97/507844397.db2.gz BGKCWHVJUQANHA-GFCCVEGCSA-N 1 0 364.423 2.858 20 5 FFBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000072718655 507846571 /nfs/dbraw/zinc/84/65/71/507846571.db2.gz JCTXZWIKVPJOAD-HZPDHXFCSA-N 1 0 360.458 2.730 20 5 FFBDRO O=[N+]([O-])c1cc(I)ccc1NCC[NH+]1CCCC1 ZINC000107807587 507867832 /nfs/dbraw/zinc/86/78/32/507867832.db2.gz PMGOLWJCKSPSPV-UHFFFAOYSA-N 1 0 361.183 2.707 20 5 FFBDRO Cc1ccc([C@@H](C)NC(=O)Nc2ccn(CC[NH+](C)C)n2)cc1[N+](=O)[O-] ZINC000078621224 507890310 /nfs/dbraw/zinc/89/03/10/507890310.db2.gz NTTHBLRQHXBOME-CYBMUJFWSA-N 1 0 360.418 2.544 20 5 FFBDRO CCCO[C@@H]1CCC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000108391995 507892338 /nfs/dbraw/zinc/89/23/38/507892338.db2.gz PPTVIXQMGCUHAG-DLBZAZTESA-N 1 0 352.431 2.616 20 5 FFBDRO CC[NH+](CC)CCOC1CCN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000073246088 507906760 /nfs/dbraw/zinc/90/67/60/507906760.db2.gz AISMOPKFVSZJRV-UHFFFAOYSA-N 1 0 363.458 2.866 20 5 FFBDRO C[C@@H](CN1CC[NH+](C)CC1)Nc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000090091924 507908489 /nfs/dbraw/zinc/90/84/89/507908489.db2.gz LPBNXAGRTLMXIJ-HNNXBMFYSA-N 1 0 355.442 2.705 20 5 FFBDRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)c1cc(F)ccc1[N+](=O)[O-] ZINC000090145835 507910783 /nfs/dbraw/zinc/91/07/83/507910783.db2.gz YHXPBLKYUAMSST-UHFFFAOYSA-N 1 0 358.373 2.775 20 5 FFBDRO CCCc1n[nH]c(C(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000109620146 507971859 /nfs/dbraw/zinc/97/18/59/507971859.db2.gz JVWVBPJEHMBATF-SJKOYZFVSA-N 1 0 351.451 2.511 20 5 FFBDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000079578272 507978080 /nfs/dbraw/zinc/97/80/80/507978080.db2.gz HGYNXSJUIYXFFZ-CHWSQXEVSA-N 1 0 357.332 2.970 20 5 FFBDRO Cc1cc(N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000079905994 508013654 /nfs/dbraw/zinc/01/36/54/508013654.db2.gz QNMQUNMTAHLANY-UHFFFAOYSA-N 1 0 374.485 2.722 20 5 FFBDRO O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CC[C@H]([NH+]2CCCC2)C1 ZINC000079942592 508017609 /nfs/dbraw/zinc/01/76/09/508017609.db2.gz PJLKQGHNIGKECC-LBPRGKRZSA-N 1 0 357.332 2.924 20 5 FFBDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000110519392 508032174 /nfs/dbraw/zinc/03/21/74/508032174.db2.gz AKOWHFWODBGSJV-HUUCEWRRSA-N 1 0 362.474 2.879 20 5 FFBDRO CC1CCN(c2ccc(C(=O)NC[C@H]3CC[N@H+](C)C3)cc2[N+](=O)[O-])CC1 ZINC000110653211 508039587 /nfs/dbraw/zinc/03/95/87/508039587.db2.gz WFQWCJTWIXITPV-OAHLLOKOSA-N 1 0 360.458 2.513 20 5 FFBDRO Cc1cc(S(=O)(=O)N2C[C@@H](CC[NH3+])c3ccccc32)ccc1[N+](=O)[O-] ZINC000373521524 512375684 /nfs/dbraw/zinc/37/56/84/512375684.db2.gz OIONCUWHWXTVRO-CYBMUJFWSA-N 1 0 361.423 2.545 20 5 FFBDRO CC[C@@H]1C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC[C@@H]1c1ccccc1 ZINC000074798419 508056279 /nfs/dbraw/zinc/05/62/79/508056279.db2.gz RMABLHTUTRQBLT-MNEFBYGVSA-N 1 0 358.442 2.668 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000080248098 508056584 /nfs/dbraw/zinc/05/65/84/508056584.db2.gz LRUDOZHZYWNGRX-UHFFFAOYSA-N 1 0 362.474 2.942 20 5 FFBDRO CC(C)(C)NC(=O)C[NH+]1CCC(CNc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000080248290 508056614 /nfs/dbraw/zinc/05/66/14/508056614.db2.gz FHRZEHYGPYJTIQ-UHFFFAOYSA-N 1 0 366.437 2.773 20 5 FFBDRO CC[C@H](C)[N@H+](C)CCNS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000111050079 508067184 /nfs/dbraw/zinc/06/71/84/508067184.db2.gz MLMFFSKUKUWACM-JTQLQIEISA-N 1 0 363.867 2.565 20 5 FFBDRO COc1cc(CN2CC[NH2+][C@H](C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000092457249 508072300 /nfs/dbraw/zinc/07/23/00/508072300.db2.gz PVUFKTVSMBQRRM-OAHLLOKOSA-N 1 0 371.437 2.976 20 5 FFBDRO CCOc1cc(NC[C@@H](C)C[NH+]2CCN(CC)CC2)ccc1[N+](=O)[O-] ZINC000092612735 508086874 /nfs/dbraw/zinc/08/68/74/508086874.db2.gz UHPAJISVBKMPFO-OAHLLOKOSA-N 1 0 350.463 2.679 20 5 FFBDRO C[C@@H](CNC(=O)NCc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1ccccc1 ZINC000111461198 508101568 /nfs/dbraw/zinc/10/15/68/508101568.db2.gz IHHFMERRNHIRLF-HNNXBMFYSA-N 1 0 356.426 2.915 20 5 FFBDRO O=C(NCc1cccc([N+](=O)[O-])c1)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000093122378 508121609 /nfs/dbraw/zinc/12/16/09/508121609.db2.gz QECGABPITMYFKY-UHFFFAOYSA-N 1 0 369.425 2.706 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+](CCc2ccccc2)C2CCCC2)c1 ZINC000075674737 508127069 /nfs/dbraw/zinc/12/70/69/508127069.db2.gz VQKDPSPZHRCIAJ-IBGZPJMESA-N 1 0 358.442 2.640 20 5 FFBDRO C[N@@H+](Cc1ccccc1-c1ccccc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075681661 508128410 /nfs/dbraw/zinc/12/84/10/508128410.db2.gz ZWTXBPHRKJKQNE-LJQANCHMSA-N 1 0 366.421 2.951 20 5 FFBDRO CN1CC[C@H]([NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(F)cc1 ZINC000377654655 512380087 /nfs/dbraw/zinc/38/00/87/512380087.db2.gz RMBZFZYEHPOJDX-LPHOPBHVSA-N 1 0 372.400 2.707 20 5 FFBDRO CC(C)[NH+](CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C(C)C ZINC000081186582 508146611 /nfs/dbraw/zinc/14/66/11/508146611.db2.gz JGGMTDNZZSCGDZ-UHFFFAOYSA-N 1 0 361.439 2.521 20 5 FFBDRO COc1ccc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(OC)c1 ZINC000093534203 508147863 /nfs/dbraw/zinc/14/78/63/508147863.db2.gz MZDVABBPVPHMCF-AWEZNQCLSA-N 1 0 358.398 2.693 20 5 FFBDRO CC(C)c1ccc(C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000375534635 512381347 /nfs/dbraw/zinc/38/13/47/512381347.db2.gz QEGZIPKHAJGOGD-MRXNPFEDSA-N 1 0 374.485 2.617 20 5 FFBDRO CCCC[N@H+](C)CCNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000112309207 508172772 /nfs/dbraw/zinc/17/27/72/508172772.db2.gz FRBWXIFIYGIWNZ-UHFFFAOYSA-N 1 0 362.474 2.659 20 5 FFBDRO COc1cc(CN2CC[C@@H](C[NH+](C)C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000113512326 508270151 /nfs/dbraw/zinc/27/01/51/508270151.db2.gz CKYVEUBTIOMVCF-NSHDSACASA-N 1 0 359.373 2.588 20 5 FFBDRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000103555384 508317334 /nfs/dbraw/zinc/31/73/34/508317334.db2.gz XJGWKPHVEDEZFK-IYBDPMFKSA-N 1 0 364.465 2.724 20 5 FFBDRO C[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H]1CCc2ccccc2C1 ZINC000114488723 508321061 /nfs/dbraw/zinc/32/10/61/508321061.db2.gz PGGOIKVOWDEILF-GOSISDBHSA-N 1 0 365.433 2.973 20 5 FFBDRO C[NH+](C)C[C@H]1CCCCN1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000104412483 508334474 /nfs/dbraw/zinc/33/44/74/508334474.db2.gz HTOQBXKCJYDADB-QGZVFWFLSA-N 1 0 374.485 2.754 20 5 FFBDRO C[NH+](C)CCOc1ccccc1CNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000087219467 508343199 /nfs/dbraw/zinc/34/31/99/508343199.db2.gz KBCZLFVKWAJSFP-UHFFFAOYSA-N 1 0 371.437 2.784 20 5 FFBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2cccc(C)c2[N+](=O)[O-])[C@H](C)C1 ZINC000115271985 508379984 /nfs/dbraw/zinc/37/99/84/508379984.db2.gz FUXHSHZKBUDKAW-NVXWUHKLSA-N 1 0 363.458 2.770 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)CCCNc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000127319105 508432257 /nfs/dbraw/zinc/43/22/57/508432257.db2.gz ZINRTXZBPSFAJB-QAPCUYQASA-N 1 0 362.474 2.976 20 5 FFBDRO Cc1c(CC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cccc1[N+](=O)[O-] ZINC000134078348 508490009 /nfs/dbraw/zinc/49/00/09/508490009.db2.gz XWBPAHZHUKUXKQ-VQIMIIECSA-N 1 0 357.454 2.921 20 5 FFBDRO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000153080754 508546327 /nfs/dbraw/zinc/54/63/27/508546327.db2.gz KWOPLGVNBGEECO-UHFFFAOYSA-N 1 0 356.426 2.817 20 5 FFBDRO COc1ccc(OCC[N@H+](C)CCc2ncc(C)s2)c([N+](=O)[O-])c1 ZINC000157307967 508550419 /nfs/dbraw/zinc/55/04/19/508550419.db2.gz LFYQFFWTDZHCCR-UHFFFAOYSA-N 1 0 351.428 2.922 20 5 FFBDRO CC[NH+]1CCC(NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000116718173 508550484 /nfs/dbraw/zinc/55/04/84/508550484.db2.gz KHAXHZWODBIJKT-UHFFFAOYSA-N 1 0 355.822 2.618 20 5 FFBDRO O=C(CC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)N1CCc2sccc2C1 ZINC000153392821 508578301 /nfs/dbraw/zinc/57/83/01/508578301.db2.gz QVHSHTWNLZMZHR-UHFFFAOYSA-N 1 0 371.462 2.989 20 5 FFBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCCN(Cc3ccc(Cl)cc3)CC2)c1 ZINC000157543905 508578791 /nfs/dbraw/zinc/57/87/91/508578791.db2.gz OBJBMDBWDSTSFX-UHFFFAOYSA-N 1 0 363.849 2.653 20 5 FFBDRO CC(C)C[NH+]1CCC(NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC000153473664 508587243 /nfs/dbraw/zinc/58/72/43/508587243.db2.gz XJQRGTOPERMDEA-UHFFFAOYSA-N 1 0 360.458 2.783 20 5 FFBDRO CCOc1cc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000123350268 508673506 /nfs/dbraw/zinc/67/35/06/508673506.db2.gz ZCGNFKRNIRLLIY-CHWSQXEVSA-N 1 0 365.430 2.557 20 5 FFBDRO O=C(CN1CCC[C@@H]([NH+]2CCCC2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000118828912 508680588 /nfs/dbraw/zinc/68/05/88/508680588.db2.gz KGLQEFQFXNHIJM-CQSZACIVSA-N 1 0 366.849 2.747 20 5 FFBDRO Cn1cc(C[N@H+](CCO)Cc2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000158289273 508683523 /nfs/dbraw/zinc/68/35/23/508683523.db2.gz BJLQLFGDWMARTA-UHFFFAOYSA-N 1 0 366.421 2.990 20 5 FFBDRO C[NH+](C)CCC1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000118868430 508688375 /nfs/dbraw/zinc/68/83/75/508688375.db2.gz NGNSGTQUAVWHMD-UHFFFAOYSA-N 1 0 368.865 2.850 20 5 FFBDRO COc1ccc(C[NH2+]C[C@@H](C)CO)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000123470584 508691710 /nfs/dbraw/zinc/69/17/10/508691710.db2.gz OSKFSIAICPNGFE-CQSZACIVSA-N 1 0 360.410 2.900 20 5 FFBDRO COC(=O)c1ccc(CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(F)c1 ZINC000136402501 508692348 /nfs/dbraw/zinc/69/23/48/508692348.db2.gz JCHDRCGENNKDBF-AWEZNQCLSA-N 1 0 374.372 2.602 20 5 FFBDRO CN(CC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1[N+](=O)[O-] ZINC000154012349 508698933 /nfs/dbraw/zinc/69/89/33/508698933.db2.gz LQQNTLQXGWRPDS-NVXWUHKLSA-N 1 0 372.469 2.506 20 5 FFBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCC[C@H]([NH3+])C3)cc2[N+](=O)[O-])C1 ZINC000158521396 508716535 /nfs/dbraw/zinc/71/65/35/508716535.db2.gz VXAZRCVZYVQTJJ-FMKPAKJESA-N 1 0 360.458 2.640 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)cnc1NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000154179268 508731508 /nfs/dbraw/zinc/73/15/08/508731508.db2.gz RWFBNXAHXKJXOD-ZFWWWQNUSA-N 1 0 354.838 2.823 20 5 FFBDRO CC(C)(C)OC(=O)NC1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000154486465 508794565 /nfs/dbraw/zinc/79/45/65/508794565.db2.gz JDGHZSNJHLFTDW-MRXNPFEDSA-N 1 0 365.430 2.617 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(C[NH+](C)C)c(F)c2)c1 ZINC000154566448 508811126 /nfs/dbraw/zinc/81/11/26/508811126.db2.gz XXHXEPHNOWQCPV-UHFFFAOYSA-N 1 0 361.373 2.734 20 5 FFBDRO C[C@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2Br)CC[N@@H+]1C ZINC000124338187 508817579 /nfs/dbraw/zinc/81/75/79/508817579.db2.gz AZAPCUJLYPDRHG-QWRGUYRKSA-N 1 0 370.247 2.912 20 5 FFBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000141865575 508819703 /nfs/dbraw/zinc/81/97/03/508819703.db2.gz ODKUKHUZIWCBGV-HNNXBMFYSA-N 1 0 360.458 2.872 20 5 FFBDRO COc1ccc(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000119619976 508830510 /nfs/dbraw/zinc/83/05/10/508830510.db2.gz SXODRSZEHVVRLM-YOEHRIQHSA-N 1 0 369.421 2.854 20 5 FFBDRO O=[N+]([O-])c1cccc(CN2CC[NH+](CCCOCC(F)(F)F)CC2)c1 ZINC000143436712 508831288 /nfs/dbraw/zinc/83/12/88/508831288.db2.gz MKORVCHBHVKLNV-UHFFFAOYSA-N 1 0 361.364 2.681 20 5 FFBDRO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000159516985 508852168 /nfs/dbraw/zinc/85/21/68/508852168.db2.gz AGNSKMHBZJTQLV-YPMHNXCESA-N 1 0 360.439 2.804 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000119841236 508874264 /nfs/dbraw/zinc/87/42/64/508874264.db2.gz RPWNZFGHIWXNIO-KSSFIOAISA-N 1 0 369.421 2.854 20 5 FFBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000119882274 508882706 /nfs/dbraw/zinc/88/27/06/508882706.db2.gz MXXFWPVYFQNUAM-AWEZNQCLSA-N 1 0 352.435 2.690 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2nnc(CN3CC[C@H](C[NH+]4CCCC4)C3)o2)cc1 ZINC000150783167 508892972 /nfs/dbraw/zinc/89/29/72/508892972.db2.gz GWUNIZNGLVVGFQ-CQSZACIVSA-N 1 0 357.414 2.563 20 5 FFBDRO C[NH+](C)CCn1ccc(NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)n1 ZINC000120030541 508914009 /nfs/dbraw/zinc/91/40/09/508914009.db2.gz OXYMZTOJEBISDM-UHFFFAOYSA-N 1 0 359.430 2.903 20 5 FFBDRO CCOC(=O)c1ccnc(N2CCC[C@H]([NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC000150882950 508915023 /nfs/dbraw/zinc/91/50/23/508915023.db2.gz GADGUNKPKMRAAM-AWEZNQCLSA-N 1 0 362.430 2.621 20 5 FFBDRO C[NH+](C)CCCC1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000132578261 509047989 /nfs/dbraw/zinc/04/79/89/509047989.db2.gz SVWHQXRUVBKUSS-UHFFFAOYSA-N 1 0 359.430 2.665 20 5 FFBDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000120871431 509080178 /nfs/dbraw/zinc/08/01/78/509080178.db2.gz AGYJGDZJJFFLBK-KRWDZBQOSA-N 1 0 362.474 2.901 20 5 FFBDRO C[NH2+]C[C@H]1CCCN1C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000161251964 509092244 /nfs/dbraw/zinc/09/22/44/509092244.db2.gz VDXCZQABDJILRS-GFCCVEGCSA-N 1 0 374.363 2.626 20 5 FFBDRO C[NH+](C)C[C@@](C)(O)CNc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000133048424 509108532 /nfs/dbraw/zinc/10/85/32/509108532.db2.gz LAFLCDNDAUWDRA-IBGZPJMESA-N 1 0 357.410 2.550 20 5 FFBDRO C[NH+]1CCC(N(Cc2ccco2)C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000172731406 509201663 /nfs/dbraw/zinc/20/16/63/509201663.db2.gz SNPBCSZAWURKJA-UHFFFAOYSA-N 1 0 357.410 2.853 20 5 FFBDRO C[NH2+]C[C@H]1CCN(C(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC000179020836 509228479 /nfs/dbraw/zinc/22/84/79/509228479.db2.gz VBKKAVANVGSPGJ-BZUAXINKSA-N 1 0 374.485 2.759 20 5 FFBDRO COc1cccc(CN(CC[NH+](C)C)C(=O)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000191951412 509261185 /nfs/dbraw/zinc/26/11/85/509261185.db2.gz WZPADZODQGUWMJ-UHFFFAOYSA-N 1 0 371.437 2.736 20 5 FFBDRO CN(CC(=O)NC1CC[NH+](CC2CCCC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000172903090 509302225 /nfs/dbraw/zinc/30/22/25/509302225.db2.gz IZIVNHOSGWYISU-UHFFFAOYSA-N 1 0 374.485 2.802 20 5 FFBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000192021921 509302694 /nfs/dbraw/zinc/30/26/94/509302694.db2.gz WSHBVFHPSTZQQF-DOTOQJQBSA-N 1 0 363.801 2.530 20 5 FFBDRO CC1CC[NH+](CCSc2nc3cc([N+](=O)[O-])ccc3c(=O)n2C)CC1 ZINC000185766985 509346399 /nfs/dbraw/zinc/34/63/99/509346399.db2.gz KJWHCRSYPFUERQ-UHFFFAOYSA-N 1 0 362.455 2.666 20 5 FFBDRO CCC[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2C)CC[N@@H+]1CCOC ZINC000163242269 509355597 /nfs/dbraw/zinc/35/55/97/509355597.db2.gz BCPZUFWZEJUGEN-INIZCTEOSA-N 1 0 364.446 2.868 20 5 FFBDRO O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000173039635 509363868 /nfs/dbraw/zinc/36/38/68/509363868.db2.gz OQJUMHSJCMDTKG-LJQANCHMSA-N 1 0 353.422 2.918 20 5 FFBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000176207773 509378408 /nfs/dbraw/zinc/37/84/08/509378408.db2.gz NXQKHHPYRQLGOP-DZGCQCFKSA-N 1 0 371.224 2.688 20 5 FFBDRO C[C@H]1C[C@H]([N@H+](C)CCn2ccc([N+](=O)[O-])n2)CCN1Cc1ccccc1 ZINC000176251006 509402886 /nfs/dbraw/zinc/40/28/86/509402886.db2.gz KBFZPODSEAHQJZ-FUHWJXTLSA-N 1 0 357.458 2.776 20 5 FFBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000182749818 509409090 /nfs/dbraw/zinc/40/90/90/509409090.db2.gz KNBDQUFNLMDDDO-OKACTXMXSA-N 1 0 373.453 2.615 20 5 FFBDRO C[C@H](NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182831075 509446777 /nfs/dbraw/zinc/44/67/77/509446777.db2.gz GUIWDXQROKXZCK-QWHCGFSZSA-N 1 0 371.441 2.854 20 5 FFBDRO CC(C)C[C@H](C[NH3+])NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000236584134 509460905 /nfs/dbraw/zinc/46/09/05/509460905.db2.gz XETBVPNFISWJBU-OAHLLOKOSA-N 1 0 351.450 2.644 20 5 FFBDRO CC1CCN(c2ccc(C(=O)NCC[C@@H]3CCC[NH2+]C3)cc2[N+](=O)[O-])CC1 ZINC000236670107 509476153 /nfs/dbraw/zinc/47/61/53/509476153.db2.gz BCZBWHVRZPZJEX-INIZCTEOSA-N 1 0 374.485 2.951 20 5 FFBDRO C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000267428319 509476439 /nfs/dbraw/zinc/47/64/39/509476439.db2.gz CCYFAPWRIXRXOA-PWSUYJOCSA-N 1 0 370.247 2.912 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000248778353 509482346 /nfs/dbraw/zinc/48/23/46/509482346.db2.gz HUBOQGXXFKTORG-RDTXWAMCSA-N 1 0 369.421 2.854 20 5 FFBDRO CC(C)C[C@@](C)(C[NH3+])NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000236697884 509483177 /nfs/dbraw/zinc/48/31/77/509483177.db2.gz UGYRLONXZZMGBG-AWEZNQCLSA-N 1 0 358.236 2.851 20 5 FFBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000173256878 509484214 /nfs/dbraw/zinc/48/42/14/509484214.db2.gz GVPRHDCWBZJQQA-XJKSGUPXSA-N 1 0 369.487 2.508 20 5 FFBDRO CC(C)c1ccc([C@@H]([NH3+])CNC(=O)CNc2ccccc2[N+](=O)[O-])cc1 ZINC000236716767 509489650 /nfs/dbraw/zinc/48/96/50/509489650.db2.gz BEYNXMOJINKBJR-INIZCTEOSA-N 1 0 356.426 2.946 20 5 FFBDRO CCCC[C@@H](C[NH3+])NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000236830795 509512709 /nfs/dbraw/zinc/51/27/09/509512709.db2.gz KTRGGWNXVATTGW-HNNXBMFYSA-N 1 0 351.450 2.788 20 5 FFBDRO CCS[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248861540 509515664 /nfs/dbraw/zinc/51/56/64/509515664.db2.gz AFVVNCGQDYMKAK-CKEIUWERSA-N 1 0 354.472 2.988 20 5 FFBDRO COC(=O)c1cnc(NC[C@H]2CCC[N@H+](CC(C)C)C2)c([N+](=O)[O-])c1 ZINC000189362961 509540079 /nfs/dbraw/zinc/54/00/79/509540079.db2.gz PXMLXKOHTIVWDT-CYBMUJFWSA-N 1 0 350.419 2.556 20 5 FFBDRO C[C@@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183015037 509549251 /nfs/dbraw/zinc/54/92/51/509549251.db2.gz LQRMGJATSBQXRF-KGLIPLIRSA-N 1 0 367.471 2.526 20 5 FFBDRO C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183029241 509556220 /nfs/dbraw/zinc/55/62/20/509556220.db2.gz CLVYCIKZBKRTBV-ZIAGYGMSSA-N 1 0 367.471 2.526 20 5 FFBDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000176537813 509569358 /nfs/dbraw/zinc/56/93/58/509569358.db2.gz YJTOIXMYEWCVPD-RYUDHWBXSA-N 1 0 370.247 2.960 20 5 FFBDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000173394669 509571419 /nfs/dbraw/zinc/57/14/19/509571419.db2.gz RJLKAFTYHSLZNY-BXUZGUMPSA-N 1 0 352.337 2.964 20 5 FFBDRO COc1cc(C[NH2+]C[C@H](O)C(C)C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000237152455 509583793 /nfs/dbraw/zinc/58/37/93/509583793.db2.gz MDBURJHEVZBCMV-LBPRGKRZSA-N 1 0 366.336 2.651 20 5 FFBDRO C[NH2+]C[C@H](C)CNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000237187311 509590688 /nfs/dbraw/zinc/59/06/88/509590688.db2.gz RGSUOJOZLHJGEQ-AWEZNQCLSA-N 1 0 356.426 2.792 20 5 FFBDRO C[NH2+]C[C@H](C)CNC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000237186933 509590717 /nfs/dbraw/zinc/59/07/17/509590717.db2.gz CIHZWLYFYLDWBY-KFWWJZLASA-N 1 0 362.474 2.662 20 5 FFBDRO O=C(C[NH2+][C@H](CCCO)c1ccccc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000179742156 509599388 /nfs/dbraw/zinc/59/93/88/509599388.db2.gz PGNRWGBZTPTRTP-GOSISDBHSA-N 1 0 369.421 2.587 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000166290453 509600825 /nfs/dbraw/zinc/60/08/25/509600825.db2.gz MZYCIVFMFXVSDV-UHFFFAOYSA-N 1 0 369.487 2.646 20 5 FFBDRO COc1ccc(OC)c(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000173471915 509623255 /nfs/dbraw/zinc/62/32/55/509623255.db2.gz ZDZSFNNVODEQSB-CQSZACIVSA-N 1 0 358.398 2.693 20 5 FFBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000183148637 509626409 /nfs/dbraw/zinc/62/64/09/509626409.db2.gz VNGNHSFYCKZVFJ-RISCZKNCSA-N 1 0 369.368 2.753 20 5 FFBDRO CC(C)C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000186341291 509659495 /nfs/dbraw/zinc/65/94/95/509659495.db2.gz GJSAUCOYSDGTHT-AEFFLSMTSA-N 1 0 361.442 2.667 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC1([NH3+])CCCCC1 ZINC000237630472 509696247 /nfs/dbraw/zinc/69/62/47/509696247.db2.gz VYMITROPXMXILM-NSHDSACASA-N 1 0 355.822 2.793 20 5 FFBDRO O=[N+]([O-])c1cnc2ccc(NCc3ccccc3C[NH+]3CCCC3)nn21 ZINC000179978497 509697352 /nfs/dbraw/zinc/69/73/52/509697352.db2.gz MCTBWHKTRPARIQ-UHFFFAOYSA-N 1 0 352.398 2.845 20 5 FFBDRO C[C@@H]1CN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000237663668 509704876 /nfs/dbraw/zinc/70/48/76/509704876.db2.gz NUSYBYGNHGVNON-CQSZACIVSA-N 1 0 354.410 2.641 20 5 FFBDRO C[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)[C@H]1C[NH3+] ZINC000237715150 509717668 /nfs/dbraw/zinc/71/76/68/509717668.db2.gz IRYBKAGMKUANLT-ZANVPECISA-N 1 0 356.220 2.557 20 5 FFBDRO COCCNC(=O)[C@H](CC(C)C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000183331514 509721297 /nfs/dbraw/zinc/72/12/97/509721297.db2.gz RXSLSNRJILPGKN-HOCLYGCPSA-N 1 0 351.447 2.731 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000249802594 509766953 /nfs/dbraw/zinc/76/69/53/509766953.db2.gz ZNYXUAWRUPAZGT-OLZOCXBDSA-N 1 0 350.419 2.845 20 5 FFBDRO COCCNC(=O)[C@H](CC(C)C)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000193104012 509780173 /nfs/dbraw/zinc/78/01/73/509780173.db2.gz ZLNSMWTWIQLXHH-ROUUACIJSA-N 1 0 363.458 2.739 20 5 FFBDRO C[C@H](CCNC(=O)c1cccc([N+](=O)[O-])c1N)[N@H+](C)Cc1ccccc1 ZINC000177023686 509823642 /nfs/dbraw/zinc/82/36/42/509823642.db2.gz GJWWSKOHIABTSF-CQSZACIVSA-N 1 0 356.426 2.817 20 5 FFBDRO CC(=O)Nc1ccc(NC(=O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000180431344 509921924 /nfs/dbraw/zinc/92/19/24/509921924.db2.gz QTIZZQOYTHFPLY-GFCCVEGCSA-N 1 0 356.382 2.843 20 5 FFBDRO C[C@@H]([NH2+]CC(=O)NCCOc1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000180446422 509929001 /nfs/dbraw/zinc/92/90/01/509929001.db2.gz DCVDVWBWGWOBIO-CYBMUJFWSA-N 1 0 361.373 2.580 20 5 FFBDRO COc1cc(NC(=O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc(OC)c1 ZINC000180447339 509929788 /nfs/dbraw/zinc/92/97/88/509929788.db2.gz PFCVKDZITCZQDC-GFCCVEGCSA-N 1 0 359.382 2.901 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@@H](C)C1 ZINC000245437697 509933903 /nfs/dbraw/zinc/93/39/03/509933903.db2.gz RRAUKAZGKSQIFP-XJKSGUPXSA-N 1 0 359.430 2.807 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N[C@@H]3CCC[NH2+][C@@H]3C)cc2[N+](=O)[O-])CC1 ZINC000193522466 509949550 /nfs/dbraw/zinc/94/95/50/509949550.db2.gz UYIXSQLRUCLESB-GDBMZVCRSA-N 1 0 360.458 2.701 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000193585196 509977946 /nfs/dbraw/zinc/97/79/46/509977946.db2.gz RKSIJNZFSDSPTI-CQSZACIVSA-N 1 0 357.414 2.835 20 5 FFBDRO COC(=O)c1cnc(NC[C@@H](c2ccc(F)cc2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000190169195 509983422 /nfs/dbraw/zinc/98/34/22/509983422.db2.gz YKSIGUSHERBJBV-HNNXBMFYSA-N 1 0 362.361 2.630 20 5 FFBDRO Cc1cc(NC(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000193624043 509994181 /nfs/dbraw/zinc/99/41/81/509994181.db2.gz SZDOUNGGFQLQCC-OKILXGFUSA-N 1 0 350.419 2.524 20 5 FFBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000180613404 510012735 /nfs/dbraw/zinc/01/27/35/510012735.db2.gz XSUYGGBYNSPSGV-UHFFFAOYSA-N 1 0 354.410 2.525 20 5 FFBDRO CCc1ccc([C@H]2C[NH2+]CCN2CC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000261708842 510036042 /nfs/dbraw/zinc/03/60/42/510036042.db2.gz KEZGNPPBCRQNFL-LJQANCHMSA-N 1 0 368.437 2.742 20 5 FFBDRO CCc1ccc([C@H]2C[NH2+]CCN2C(=O)c2cccc([N+](=O)[O-])c2N)cc1 ZINC000261799276 510068163 /nfs/dbraw/zinc/06/81/63/510068163.db2.gz QSXAKMQCHILYMT-QGZVFWFLSA-N 1 0 354.410 2.526 20 5 FFBDRO Cc1[nH]nc(C(=O)Nc2ccc(OCC[NH+]3CCCC3)c(C)c2)c1[N+](=O)[O-] ZINC000265524100 510099513 /nfs/dbraw/zinc/09/95/13/510099513.db2.gz MMBOSPCILXLDRP-UHFFFAOYSA-N 1 0 373.413 2.662 20 5 FFBDRO CNS(=O)(=O)CC[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000187176613 510103481 /nfs/dbraw/zinc/10/34/81/510103481.db2.gz JVVJFLURMBEALB-LLVKDONJSA-N 1 0 369.468 2.523 20 5 FFBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000245874009 510180384 /nfs/dbraw/zinc/18/03/84/510180384.db2.gz AIGUOKOHBCUSGD-ZWNOBZJWSA-N 1 0 357.357 2.608 20 5 FFBDRO COc1ccccc1CNC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000194056726 510195978 /nfs/dbraw/zinc/19/59/78/510195978.db2.gz RMDDSOMUNNPVKG-UONOGXRCSA-N 1 0 357.410 2.959 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@@H]2c2nc3ccccc3s2)c1 ZINC000174655618 510234797 /nfs/dbraw/zinc/23/47/97/510234797.db2.gz WVWBFBZHIOAAMK-DZGCQCFKSA-N 1 0 373.438 2.599 20 5 FFBDRO C[NH2+][C@@H]1CCN(C(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)C1 ZINC000269135887 510253533 /nfs/dbraw/zinc/25/35/33/510253533.db2.gz QKYQQQYYUFZGKD-DZGCQCFKSA-N 1 0 369.425 2.597 20 5 FFBDRO CCOc1cc(OC[C@H](O)C[N@@H+]2CCc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000190691635 510287441 /nfs/dbraw/zinc/28/74/41/510287441.db2.gz GBUYECYXWOBFMH-QGZVFWFLSA-N 1 0 372.421 2.792 20 5 FFBDRO C[C@H](Cc1ccc(O)cc1)[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000246113277 510300740 /nfs/dbraw/zinc/30/07/40/510300740.db2.gz QEVNGRXUEHHRSN-RDTXWAMCSA-N 1 0 360.410 2.603 20 5 FFBDRO COc1cc(C[NH2+][C@@H](CC(N)=O)C2CCCCC2)c([N+](=O)[O-])cc1F ZINC000184405652 510309051 /nfs/dbraw/zinc/30/90/51/510309051.db2.gz KCQXCTYQIGENRC-AWEZNQCLSA-N 1 0 353.394 2.656 20 5 FFBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000181251099 510324058 /nfs/dbraw/zinc/32/40/58/510324058.db2.gz HIYUVAVYGWGRDE-UHFFFAOYSA-N 1 0 360.458 2.905 20 5 FFBDRO CCOc1cc2c(cc1OCC)CN(CCn1cc([N+](=O)[O-])cn1)CC2 ZINC000174811839 510323909 /nfs/dbraw/zinc/32/39/09/510323909.db2.gz QJGIXMMNIAZAFE-UHFFFAOYSA-N 1 0 360.414 2.647 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N(C)CC(C)(C)C[NH3+])cc2[N+](=O)[O-])CC1 ZINC000262592452 510328528 /nfs/dbraw/zinc/32/85/28/510328528.db2.gz UXFZIBZJLRGYNU-UHFFFAOYSA-N 1 0 362.474 2.888 20 5 FFBDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 ZINC000265973533 510333422 /nfs/dbraw/zinc/33/34/22/510333422.db2.gz WHWXCRWRAPAXJW-CYBMUJFWSA-N 1 0 367.446 2.852 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[NH+]([C@@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000177960458 510347623 /nfs/dbraw/zinc/34/76/23/510347623.db2.gz DMDUDFRNYORHJY-FRQCXROJSA-N 1 0 372.469 2.648 20 5 FFBDRO Cc1ccc([C@@H](C)[NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000178006717 510371407 /nfs/dbraw/zinc/37/14/07/510371407.db2.gz KXIHXPQUPBORGG-CQSZACIVSA-N 1 0 363.439 2.532 20 5 FFBDRO CC(C)[NH+](CCCNS(=O)(=O)Cc1ccccc1[N+](=O)[O-])C(C)C ZINC000184615243 510418800 /nfs/dbraw/zinc/41/88/00/510418800.db2.gz POYVXSODENMBCF-UHFFFAOYSA-N 1 0 357.476 2.523 20 5 FFBDRO CCC(CC)(CNC(=O)Cn1cc([N+](=O)[O-])cn1)[NH2+][C@@H](C)c1ccccc1 ZINC000171873414 510423194 /nfs/dbraw/zinc/42/31/94/510423194.db2.gz KLRCBNNILNYPMS-HNNXBMFYSA-N 1 0 373.457 2.817 20 5 FFBDRO Cn1ccnc1C[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000194590000 510435295 /nfs/dbraw/zinc/43/52/95/510435295.db2.gz CWORRBGUFZICEU-CYBMUJFWSA-N 1 0 359.386 2.691 20 5 FFBDRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000262853258 510441200 /nfs/dbraw/zinc/44/12/00/510441200.db2.gz SOXIUGINGCRYAM-WDEREUQCSA-N 1 0 374.363 2.624 20 5 FFBDRO Nc1c(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc(F)cc1[N+](=O)[O-] ZINC000194625341 510453388 /nfs/dbraw/zinc/45/33/88/510453388.db2.gz XRBZOOLQDZXPQR-UHFFFAOYSA-N 1 0 372.400 2.842 20 5 FFBDRO CN(CC1CC[NH+](C)CC1)C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000181545195 510467101 /nfs/dbraw/zinc/46/71/01/510467101.db2.gz QEPRYQHTYUHXEG-UHFFFAOYSA-N 1 0 357.357 2.610 20 5 FFBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000266304523 510508164 /nfs/dbraw/zinc/50/81/64/510508164.db2.gz LMWSGCDSRRBJNA-AWEZNQCLSA-N 1 0 351.472 2.877 20 5 FFBDRO CCc1n[nH]c(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000246483915 510513692 /nfs/dbraw/zinc/51/36/92/510513692.db2.gz LQLQVJSWUHLARN-DZGCQCFKSA-N 1 0 371.441 2.663 20 5 FFBDRO CSc1cccc(C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1[N+](=O)[O-] ZINC000188030839 510557116 /nfs/dbraw/zinc/55/71/16/510557116.db2.gz KJAQPZHOCODEBQ-CHWSQXEVSA-N 1 0 367.471 2.546 20 5 FFBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)NCc2ccc3c(c2)OCO3)cc1[N+](=O)[O-] ZINC000181814863 510607736 /nfs/dbraw/zinc/60/77/36/510607736.db2.gz DOOPEHCFEPNDKX-ZDUSSCGKSA-N 1 0 371.393 2.599 20 5 FFBDRO CC[C@H]1CN(C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)CC[N@@H+]1C[C@@H](C)O ZINC000191413104 510647670 /nfs/dbraw/zinc/64/76/70/510647670.db2.gz JYMLAMBSZSCVLZ-CABCVRRESA-N 1 0 364.446 2.521 20 5 FFBDRO C[NH+]1CCC([C@@H]2CCN(c3ccc([N+](=O)[O-])cc3N3CCOC3=O)C2)CC1 ZINC000270196494 510712413 /nfs/dbraw/zinc/71/24/13/510712413.db2.gz PJLBRYOSHWWBIN-OAHLLOKOSA-N 1 0 374.441 2.720 20 5 FFBDRO C[NH+]1CCC([C@@H]2CCN(C(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)C2)CC1 ZINC000270253846 510735746 /nfs/dbraw/zinc/73/57/46/510735746.db2.gz QQWQSDMRGZFLLM-CQSZACIVSA-N 1 0 356.426 2.880 20 5 FFBDRO NC(=O)C[C@@H]([NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CCCCC1 ZINC000182078462 510743947 /nfs/dbraw/zinc/74/39/47/510743947.db2.gz ANESJJRDSWSGDC-OAHLLOKOSA-N 1 0 373.413 2.559 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000182145573 510780903 /nfs/dbraw/zinc/78/09/03/510780903.db2.gz NUYVKSTYOAGTOZ-SJORKVTESA-N 1 0 357.410 2.521 20 5 FFBDRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000247008489 510797278 /nfs/dbraw/zinc/79/72/78/510797278.db2.gz FRRPTJMWCHDFIZ-PBHICJAKSA-N 1 0 356.426 2.961 20 5 FFBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000247182394 510849581 /nfs/dbraw/zinc/84/95/81/510849581.db2.gz BEMANMQPGXHJIF-QMTHXVAHSA-N 1 0 370.247 2.770 20 5 FFBDRO CS(=O)(=O)[C@@H]1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000282264128 510907732 /nfs/dbraw/zinc/90/77/32/510907732.db2.gz CAGZOZRDJPQTLJ-CYBMUJFWSA-N 1 0 366.464 2.942 20 5 FFBDRO COc1cccc(COC[C@@H](O)C[N@H+](C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000285443998 510909471 /nfs/dbraw/zinc/90/94/71/510909471.db2.gz XTYUXTCAYRYLRQ-SFHVURJKSA-N 1 0 374.437 2.655 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCOCC12CCCC2 ZINC000270657094 510941791 /nfs/dbraw/zinc/94/17/91/510941791.db2.gz PTHWQYGOUMKBMM-UHFFFAOYSA-N 1 0 363.414 2.577 20 5 FFBDRO C[N@@H+]1CCN(CC[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1(C)C ZINC000282439562 510978664 /nfs/dbraw/zinc/97/86/64/510978664.db2.gz ULVNIXDHFFIBFC-GOSISDBHSA-N 1 0 360.502 2.532 20 5 FFBDRO C[NH+](C)C1CCN(c2ccc(NC(=O)CCC(C)(C)[N+](=O)[O-])cc2)CC1 ZINC000297566953 510994619 /nfs/dbraw/zinc/99/46/19/510994619.db2.gz RVKCDIVEECTMOJ-UHFFFAOYSA-N 1 0 362.474 2.991 20 5 FFBDRO C[C@@H]1C[C@@H](N(C)C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000279408197 511072874 /nfs/dbraw/zinc/07/28/74/511072874.db2.gz XBLXCHDOPRWBKL-PWSUYJOCSA-N 1 0 357.813 2.871 20 5 FFBDRO C[C@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C(=O)NCCF ZINC000282725686 511088922 /nfs/dbraw/zinc/08/89/22/511088922.db2.gz QPYVTJMZVMWXSW-NSHDSACASA-N 1 0 351.403 2.887 20 5 FFBDRO CC[NH+](CC)CCOc1ccc(CNC(=O)CCC(C)(C)[N+](=O)[O-])cc1 ZINC000294523576 511092440 /nfs/dbraw/zinc/09/24/40/511092440.db2.gz PCGKPORKEGQLHQ-UHFFFAOYSA-N 1 0 365.474 2.859 20 5 FFBDRO NC(=O)CCC1CC[NH+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000271242379 511135138 /nfs/dbraw/zinc/13/51/38/511135138.db2.gz PLDLLQLNAJBDJJ-UHFFFAOYSA-N 1 0 372.425 2.770 20 5 FFBDRO CN1CC[NH+](CC2(C)CCN(Cc3cc(F)ccc3[N+](=O)[O-])CC2)CC1 ZINC000364942116 511166537 /nfs/dbraw/zinc/16/65/37/511166537.db2.gz HYTKGIZQFFXKAB-UHFFFAOYSA-N 1 0 364.465 2.583 20 5 FFBDRO Cn1c(Sc2ccc([N+](=O)[O-])c3cccnc23)nnc1[C@@H]1CCC[NH2+]C1 ZINC000271350847 511174463 /nfs/dbraw/zinc/17/44/63/511174463.db2.gz SRCBIYYFXUWXSB-LLVKDONJSA-N 1 0 370.438 2.890 20 5 FFBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000294782021 511175607 /nfs/dbraw/zinc/17/56/07/511175607.db2.gz AYUGPMYGBLAZCC-GFCCVEGCSA-N 1 0 353.394 2.546 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)[C@H](C)C1 ZINC000294946458 511230655 /nfs/dbraw/zinc/23/06/55/511230655.db2.gz LUVFCFLGNLFLRY-FZKQIMNGSA-N 1 0 371.441 2.787 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+]2CCC(c3ccccn3)CC2)c1 ZINC000362760936 511234590 /nfs/dbraw/zinc/23/45/90/511234590.db2.gz YOJUWTJWWQVZAC-QGZVFWFLSA-N 1 0 357.410 2.609 20 5 FFBDRO CCOc1cc(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)ccc1[N+](=O)[O-] ZINC000365188767 511307781 /nfs/dbraw/zinc/30/77/81/511307781.db2.gz GAIIPLKMWKIBAR-TXPKVOOTSA-N 1 0 363.458 2.677 20 5 FFBDRO Cc1cc(Cl)c(C(=O)NC[C@]2([NH+](C)C)CCSC2)cc1[N+](=O)[O-] ZINC000295364435 511379205 /nfs/dbraw/zinc/37/92/05/511379205.db2.gz RGYBVLDVDNDFPS-OAHLLOKOSA-N 1 0 357.863 2.724 20 5 FFBDRO C[C@H]([NH2+][C@H]1CCN(c2ccccc2C(N)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000363175186 511396758 /nfs/dbraw/zinc/39/67/58/511396758.db2.gz PAXYNDMRKQQFJV-ZFWWWQNUSA-N 1 0 354.410 2.623 20 5 FFBDRO CC1(C)CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H]1c1cccnc1 ZINC000291945523 511401370 /nfs/dbraw/zinc/40/13/70/511401370.db2.gz PYUVLBSXAIHDND-SJLPKXTDSA-N 1 0 357.410 2.813 20 5 FFBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C1 ZINC000295432969 511403952 /nfs/dbraw/zinc/40/39/52/511403952.db2.gz WTODFJJNQHNLBD-CQSZACIVSA-N 1 0 371.441 2.789 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1SC ZINC000334042580 511436097 /nfs/dbraw/zinc/43/60/97/511436097.db2.gz TXVGUWTTWBRVQL-QWRGUYRKSA-N 1 0 353.444 2.538 20 5 FFBDRO C[C@H]1C[C@@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000334078886 511450396 /nfs/dbraw/zinc/45/03/96/511450396.db2.gz MMJKRWIVJOJQHL-ONGXEEELSA-N 1 0 356.220 2.570 20 5 FFBDRO C[NH+](C)CCc1ccc(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)cc1 ZINC000272187631 511458664 /nfs/dbraw/zinc/45/86/64/511458664.db2.gz BCROSTXSGMSWEC-UHFFFAOYSA-N 1 0 357.366 2.680 20 5 FFBDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000298955846 511464030 /nfs/dbraw/zinc/46/40/30/511464030.db2.gz DJQYANWVLOXZCX-AEFFLSMTSA-N 1 0 358.442 2.552 20 5 FFBDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)C1 ZINC000272226445 511471188 /nfs/dbraw/zinc/47/11/88/511471188.db2.gz JGYLYEUCMQCGFE-GDBMZVCRSA-N 1 0 360.458 2.640 20 5 FFBDRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000272250236 511479293 /nfs/dbraw/zinc/47/92/93/511479293.db2.gz YHBNMAYDDJLTNJ-STQMWFEESA-N 1 0 355.341 2.553 20 5 FFBDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000272250228 511480260 /nfs/dbraw/zinc/48/02/60/511480260.db2.gz YHBNMAYDDJLTNJ-OLZOCXBDSA-N 1 0 355.341 2.553 20 5 FFBDRO CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC000283817699 511509383 /nfs/dbraw/zinc/50/93/83/511509383.db2.gz YQDRBWYYNPUIRJ-UHFFFAOYSA-N 1 0 356.430 2.548 20 5 FFBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)c3cc([N+](=O)[O-])ccc3Br)C2)C1 ZINC000292236696 511516864 /nfs/dbraw/zinc/51/68/64/511516864.db2.gz NWVFHCXYZHMHAC-HNNXBMFYSA-N 1 0 368.231 2.525 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](OC)C(C)(C)C1 ZINC000295867776 511540368 /nfs/dbraw/zinc/54/03/68/511540368.db2.gz FKTOPTVBOIVTAT-MRXNPFEDSA-N 1 0 365.430 2.679 20 5 FFBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000280768893 511595187 /nfs/dbraw/zinc/59/51/87/511595187.db2.gz BPBZLQQJFWLZJP-OAHLLOKOSA-N 1 0 361.442 2.942 20 5 FFBDRO CN(C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])[C@H]1CCC[N@H+](C)C1 ZINC000280873800 511637435 /nfs/dbraw/zinc/63/74/35/511637435.db2.gz FKLWBRCQYLYORA-HNNXBMFYSA-N 1 0 354.410 2.823 20 5 FFBDRO C[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1OCCc2sccc21 ZINC000292568259 511645738 /nfs/dbraw/zinc/64/57/38/511645738.db2.gz ZSQPIOGKUNJHQV-GTNSWQLSSA-N 1 0 361.423 2.887 20 5 FFBDRO C[C@@H]([NH2+]Cc1ccc(N2CCO[C@H](C)C2)nc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284309314 511678272 /nfs/dbraw/zinc/67/82/72/511678272.db2.gz ZEAWIVLCHLQEQF-ZIAGYGMSSA-N 1 0 371.441 2.648 20 5 FFBDRO C[C@@H]1CCC[N@H+](CCNc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])C1 ZINC000301225021 511690408 /nfs/dbraw/zinc/69/04/08/511690408.db2.gz BEYOYBLCCJXFCP-CQSZACIVSA-N 1 0 371.441 2.703 20 5 FFBDRO CCN(Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000292815369 511730502 /nfs/dbraw/zinc/73/05/02/511730502.db2.gz NNIIDMWAJLRICW-LBPRGKRZSA-N 1 0 366.361 2.623 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000312516901 511784749 /nfs/dbraw/zinc/78/47/49/511784749.db2.gz SWIRHADTCVOGKA-HNNXBMFYSA-N 1 0 370.409 2.710 20 5 FFBDRO CN(c1ccc(NC(=O)c2ccc([N+](=O)[O-])cn2)cc1)C1CC[NH+](C)CC1 ZINC000363866245 511817636 /nfs/dbraw/zinc/81/76/36/511817636.db2.gz ZKMXRUQBWYZXRT-UHFFFAOYSA-N 1 0 369.425 2.773 20 5 FFBDRO C[N@@H+]1CC[C@H]2OCCN(Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)[C@@H]2C1 ZINC000284734926 511844279 /nfs/dbraw/zinc/84/42/79/511844279.db2.gz WBRPACSDOKFBNM-IAGOWNOFSA-N 1 0 374.466 2.623 20 5 FFBDRO CN(CC[N@H+](C)C1CC1)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000274559932 511872925 /nfs/dbraw/zinc/87/29/25/511872925.db2.gz ZZSMDHFWOOQUTJ-UHFFFAOYSA-N 1 0 354.838 2.526 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCO[C@H](C(C)C)C1 ZINC000293288103 511910016 /nfs/dbraw/zinc/91/00/16/511910016.db2.gz VVIYPLSKZUQEOW-KRWDZBQOSA-N 1 0 365.430 2.679 20 5 FFBDRO Cc1cc(OCC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000281622362 511910942 /nfs/dbraw/zinc/91/09/42/511910942.db2.gz LHYMAWULTSMDCT-MRXNPFEDSA-N 1 0 361.442 2.759 20 5 FFBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000296881963 511935432 /nfs/dbraw/zinc/93/54/32/511935432.db2.gz XASFSLDDULKVQM-ZDUSSCGKSA-N 1 0 371.441 2.787 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000296919193 511950729 /nfs/dbraw/zinc/95/07/29/511950729.db2.gz YZSDZZBEXVXTPQ-SFHVURJKSA-N 1 0 362.430 2.943 20 5 FFBDRO C[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)cn1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284985840 511957085 /nfs/dbraw/zinc/95/70/85/511957085.db2.gz GHDVTXUSDOLILN-BBRMVZONSA-N 1 0 370.457 2.885 20 5 FFBDRO CCc1n[nH]c(C(=O)NC2CC[NH+](CC3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000364188099 512009399 /nfs/dbraw/zinc/00/93/99/512009399.db2.gz CMRODIQENFIGFV-UHFFFAOYSA-N 1 0 363.462 2.655 20 5 FFBDRO C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285140545 512014404 /nfs/dbraw/zinc/01/44/04/512014404.db2.gz LVNRDMPMENXDMS-KSSFIOAISA-N 1 0 370.453 2.594 20 5 FFBDRO CS[C@H]1CN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C[C@@H]1[NH+]1CCCC1 ZINC000275126072 512049169 /nfs/dbraw/zinc/04/91/69/512049169.db2.gz NRUAKJUYZSVCEE-HOTGVXAUSA-N 1 0 374.466 2.728 20 5 FFBDRO CN(C)c1cc(F)c(C(=O)NCCCCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000293816914 512090750 /nfs/dbraw/zinc/09/07/50/512090750.db2.gz CPJZLKTUFCVDKV-UHFFFAOYSA-N 1 0 366.437 2.796 20 5 FFBDRO C[C@H]1C[NH+](CC2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)C[C@H](C)O1 ZINC000364410174 512107358 /nfs/dbraw/zinc/10/73/58/512107358.db2.gz AUQMELSEKPGYKE-GJZGRUSLSA-N 1 0 361.442 2.556 20 5 FFBDRO COc1ccc(OCC[N@@H+]2CCC[C@@H](c3ccncn3)C2)c([N+](=O)[O-])c1 ZINC000371785417 512573533 /nfs/dbraw/zinc/57/35/33/512573533.db2.gz MYSMGTHLHUUFHX-CQSZACIVSA-N 1 0 358.398 2.652 20 5 FFBDRO C[N@@H+]1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000411419843 512626383 /nfs/dbraw/zinc/62/63/83/512626383.db2.gz PJVYOAXWXWGYDR-IBGZPJMESA-N 1 0 368.437 2.912 20 5 FFBDRO C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2CCOc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000374028059 512629915 /nfs/dbraw/zinc/62/99/15/512629915.db2.gz VYVMGPPATCRFJP-BBWFWOEESA-N 1 0 363.458 2.547 20 5 FFBDRO C[NH+]1CCC2(CCCN2C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000367963016 512742876 /nfs/dbraw/zinc/74/28/76/512742876.db2.gz KDTVYVSUHIHAGB-UHFFFAOYSA-N 1 0 353.369 2.773 20 5 FFBDRO Cn1nccc1[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411671970 512748842 /nfs/dbraw/zinc/74/88/42/512748842.db2.gz MLCNHDQBYSOQKQ-KRWDZBQOSA-N 1 0 357.414 2.884 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(CC(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)c1F ZINC000411735119 512784849 /nfs/dbraw/zinc/78/48/49/512784849.db2.gz JDPHQQRDSDQMMM-ZDUSSCGKSA-N 1 0 367.421 2.522 20 5 FFBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000372330092 512818912 /nfs/dbraw/zinc/81/89/12/512818912.db2.gz DRZXIVZSRBBWNB-QAPCUYQASA-N 1 0 358.442 2.896 20 5 FFBDRO C[N@@H+]1CCCC12CCN(C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)CC2 ZINC000370341190 512884883 /nfs/dbraw/zinc/88/48/83/512884883.db2.gz GCYGDPUNHGTPAX-UHFFFAOYSA-N 1 0 369.368 2.897 20 5 FFBDRO COc1cc(C[N@@H+]2C[C@@H]3CC[C@H](O)C[C@@H]3C2)c([N+](=O)[O-])cc1OC(F)F ZINC000412048036 512929803 /nfs/dbraw/zinc/92/98/03/512929803.db2.gz PSUUBXTWXFQQLX-LOWVWBTDSA-N 1 0 372.368 2.798 20 5 FFBDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000374793960 513006760 /nfs/dbraw/zinc/00/67/60/513006760.db2.gz NBXYEAZDOHZIAD-CQSZACIVSA-N 1 0 372.400 2.663 20 5 FFBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1 ZINC000412371746 513056330 /nfs/dbraw/zinc/05/63/30/513056330.db2.gz YQOCRIFTQOZLOO-CJBAZIHXSA-N 1 0 357.454 2.887 20 5 FFBDRO Cc1cn2c(n1)[C@H](CNC(=O)N(C)Cc1ccccc1[N+](=O)[O-])CCC2 ZINC000372820293 513058976 /nfs/dbraw/zinc/05/89/76/513058976.db2.gz GWPNWLRBYZPYRV-AWEZNQCLSA-N 1 0 357.414 2.819 20 5 FFBDRO CC(C)[C@@H](CC(F)(F)F)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000445882237 513137594 /nfs/dbraw/zinc/13/75/94/513137594.db2.gz YXYDGPIWIZIASG-NWDGAFQWSA-N 1 0 350.337 2.901 20 5 FFBDRO C[C@@H]1C[NH+](CCCCNc2nccc3c2cccc3[N+](=O)[O-])C[C@@H](C)O1 ZINC000450373564 513164861 /nfs/dbraw/zinc/16/48/61/513164861.db2.gz CSHDRCBVOAJXMQ-HUUCEWRRSA-N 1 0 358.442 2.866 20 5 FFBDRO C[C@]12CC[N@H+](CCCn3c(=O)oc4ccc([N+](=O)[O-])cc43)C[C@H]1C2(F)F ZINC000428735839 513177779 /nfs/dbraw/zinc/17/77/79/513177779.db2.gz XJLFMVOXKFAQMV-ZBFHGGJFSA-N 1 0 367.352 2.870 20 5 FFBDRO Cc1ccc(NCCCNC(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000417714713 513177747 /nfs/dbraw/zinc/17/77/47/513177747.db2.gz IUBBNDNSTCKEKG-GOEBONIOSA-N 1 0 363.462 2.617 20 5 FFBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C[C@@H]1C ZINC000450500784 513222867 /nfs/dbraw/zinc/22/28/67/513222867.db2.gz OEASKYBKAHKMOK-QWHCGFSZSA-N 1 0 357.414 2.540 20 5 FFBDRO [NH3+]CC[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)C(F)F ZINC000415453728 513268462 /nfs/dbraw/zinc/26/84/62/513268462.db2.gz ZIUZPNUFXCGHHD-MRVPVSSYSA-N 1 0 356.251 2.718 20 5 FFBDRO CCCN(CC[NH+](CC)CC)C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000450633018 513281198 /nfs/dbraw/zinc/28/11/98/513281198.db2.gz VPGOBNZBENJQTD-UHFFFAOYSA-N 1 0 373.457 2.975 20 5 FFBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000434418871 513318704 /nfs/dbraw/zinc/31/87/04/513318704.db2.gz GGWGZBXFBIBAOZ-GOSISDBHSA-N 1 0 360.458 2.920 20 5 FFBDRO O=C(C[NH2+][C@@H]1Cc2cccc(O)c2C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000429319795 513339689 /nfs/dbraw/zinc/33/96/89/513339689.db2.gz VTFHIFSGSYMAAI-LLVKDONJSA-N 1 0 361.785 2.649 20 5 FFBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C[C@H](C)[N@H+]1CCO ZINC000450791744 513343567 /nfs/dbraw/zinc/34/35/67/513343567.db2.gz IVRSWFSIOSZYGM-GASCZTMLSA-N 1 0 356.426 2.548 20 5 FFBDRO C[NH2+]C1CCN(C(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)CC1 ZINC000429375393 513356886 /nfs/dbraw/zinc/35/68/86/513356886.db2.gz YVLJLXPLVLLNQB-CQSZACIVSA-N 1 0 360.458 2.655 20 5 FFBDRO Cc1c(CNC(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000418077664 513363745 /nfs/dbraw/zinc/36/37/45/513363745.db2.gz IBTGAWLDSANVNM-SJLPKXTDSA-N 1 0 360.458 2.967 20 5 FFBDRO CC(C)C[C@@H](C[NH3+])NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000418091612 513369179 /nfs/dbraw/zinc/36/91/79/513369179.db2.gz QAIKQOQZWNVMIU-LBPRGKRZSA-N 1 0 362.352 2.786 20 5 FFBDRO C[C@H]1[NH2+]CCN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[C@H]1C ZINC000418098483 513371323 /nfs/dbraw/zinc/37/13/23/513371323.db2.gz ZZGXHDCVNPQOLB-ZJUUUORDSA-N 1 0 360.336 2.505 20 5 FFBDRO C[C@H]1[NH2+]CCN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[C@@H]1C ZINC000418098471 513371795 /nfs/dbraw/zinc/37/17/95/513371795.db2.gz ZZGXHDCVNPQOLB-NXEZZACHSA-N 1 0 360.336 2.505 20 5 FFBDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415689231 513382048 /nfs/dbraw/zinc/38/20/48/513382048.db2.gz CWMGPDHQKMZGNI-BDAKNGLRSA-N 1 0 357.208 2.558 20 5 FFBDRO CN(C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)[C@H](C[NH3+])C1CC1 ZINC000415705752 513391230 /nfs/dbraw/zinc/39/12/30/513391230.db2.gz UFLFKJZJOCXURX-GFCCVEGCSA-N 1 0 357.208 2.558 20 5 FFBDRO CO[C@H]1CCN(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000415705611 513391320 /nfs/dbraw/zinc/39/13/20/513391320.db2.gz TZJDYPJFYOQUEB-KGLIPLIRSA-N 1 0 364.446 2.862 20 5 FFBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NCc2ccc([C@@H](C)[NH3+])cc2)cc1OC ZINC000429508479 513394854 /nfs/dbraw/zinc/39/48/54/513394854.db2.gz CAPPXCBXGOWDQH-GFCCVEGCSA-N 1 0 373.409 2.952 20 5 FFBDRO CC[NH+]1CCN(CC(C)(C)Nc2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000450921081 513405265 /nfs/dbraw/zinc/40/52/65/513405265.db2.gz DLQYCEDWGJTJNM-UHFFFAOYSA-N 1 0 357.458 2.971 20 5 FFBDRO C[C@@H]1CC[C@@H]([N@H+](CCO)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000429755140 513457869 /nfs/dbraw/zinc/45/78/69/513457869.db2.gz ASQWJHWVEQKNSI-VXGBXAGGSA-N 1 0 355.822 2.670 20 5 FFBDRO C[C@H]1CN(c2cccc3cnccc32)CC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000447390285 513463415 /nfs/dbraw/zinc/46/34/15/513463415.db2.gz FVDDJADYQFWFGI-HNNXBMFYSA-N 1 0 366.425 2.550 20 5 FFBDRO [NH3+]CC1(C(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCCC1 ZINC000429790796 513467550 /nfs/dbraw/zinc/46/75/50/513467550.db2.gz ODRNIWYPIDNSPZ-UHFFFAOYSA-N 1 0 374.363 2.661 20 5 FFBDRO CN(Cc1ccccc1)C(=O)C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447538542 513502507 /nfs/dbraw/zinc/50/25/07/513502507.db2.gz BVYDGJFACLXCLS-SJORKVTESA-N 1 0 371.441 2.523 20 5 FFBDRO C[C@@H]1C[N@@H+](CCCCNc2nccc3ccc([N+](=O)[O-])cc32)C[C@H](C)O1 ZINC000413179974 513502648 /nfs/dbraw/zinc/50/26/48/513502648.db2.gz DCFCCUFNSSXUCN-GASCZTMLSA-N 1 0 358.442 2.866 20 5 FFBDRO CN(CCC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)CC(F)(F)F ZINC000447546382 513503205 /nfs/dbraw/zinc/50/32/05/513503205.db2.gz VJCXYWDMPDDIII-STQMWFEESA-N 1 0 363.384 2.749 20 5 FFBDRO CN(CCC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)CC(F)(F)F ZINC000447546381 513503988 /nfs/dbraw/zinc/50/39/88/513503988.db2.gz VJCXYWDMPDDIII-QWHCGFSZSA-N 1 0 363.384 2.749 20 5 FFBDRO [NH3+][C@@H](CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccccc1 ZINC000418428470 513504983 /nfs/dbraw/zinc/50/49/83/513504983.db2.gz MJWHXTJERPDTMS-KRWDZBQOSA-N 1 0 354.410 2.969 20 5 FFBDRO COc1ccc(OCC[N@@H+]2CCC[C@H]([C@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000441186290 513507966 /nfs/dbraw/zinc/50/79/66/513507966.db2.gz WNDSXDZADQZSLF-GJZGRUSLSA-N 1 0 350.415 2.731 20 5 FFBDRO Cc1c(CNC(=O)Nc2ccc3c(c2)C[NH2+]CCO3)cccc1[N+](=O)[O-] ZINC000415984037 513517011 /nfs/dbraw/zinc/51/70/11/513517011.db2.gz HLUWSISEEJILPE-UHFFFAOYSA-N 1 0 356.382 2.707 20 5 FFBDRO Cc1cccc(C[C@H](CO)[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000447600125 513518875 /nfs/dbraw/zinc/51/88/75/513518875.db2.gz ZNNUIDYINMQPTB-KZNAEPCWSA-N 1 0 358.442 2.777 20 5 FFBDRO CC(C)(C)N1CC[C@@H]([NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C1=O ZINC000425401339 513545219 /nfs/dbraw/zinc/54/52/19/513545219.db2.gz BWDZBFVIBADTDV-QGZVFWFLSA-N 1 0 361.442 2.837 20 5 FFBDRO CCCc1[nH]nc(C(=O)Nc2cccc3c2OCC[C@@H]3[NH+](C)C)c1[N+](=O)[O-] ZINC000447730022 513554800 /nfs/dbraw/zinc/55/48/00/513554800.db2.gz PCBVFEZVEJCLLN-AWEZNQCLSA-N 1 0 373.413 2.908 20 5 FFBDRO [NH3+]CC[C@H](NC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)C(F)(F)F ZINC000416052526 513557115 /nfs/dbraw/zinc/55/71/15/513557115.db2.gz UYYAOOGDXXNFKI-OCCSQVGLSA-N 1 0 374.363 2.764 20 5 FFBDRO COc1ccc(CN2CC[C@H]([NH3+])C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000435372675 513567220 /nfs/dbraw/zinc/56/72/20/513567220.db2.gz BHEBPLRACZBHNO-INIZCTEOSA-N 1 0 357.410 2.715 20 5 FFBDRO COc1cc(CN2CCC[C@H]([C@@H](C)[NH3+])C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000435372741 513567688 /nfs/dbraw/zinc/56/76/88/513567688.db2.gz CDEAVCXIKUJYMR-NEPJUHHUSA-N 1 0 373.400 2.807 20 5 FFBDRO COc1cc(CN(C)[C@H](C)C[NH3+])c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000435383561 513570086 /nfs/dbraw/zinc/57/00/86/513570086.db2.gz ISUYHQXTNUURMN-CQSZACIVSA-N 1 0 359.426 2.961 20 5 FFBDRO Cc1ccccc1C1CC([N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C2CC2)C1 ZINC000441461811 513574583 /nfs/dbraw/zinc/57/45/83/513574583.db2.gz HBEJJOCUQNWQBY-KVWWFHCMSA-N 1 0 370.453 2.871 20 5 FFBDRO COc1ccc(OCC[N@@H+]2CCN(C)c3ccccc3C2)c([N+](=O)[O-])c1 ZINC000441486579 513580062 /nfs/dbraw/zinc/58/00/62/513580062.db2.gz CVFISTQWJZBGHZ-UHFFFAOYSA-N 1 0 357.410 2.934 20 5 FFBDRO Cn1ccnc1CN(Cc1ccc([N+](=O)[O-])cc1F)[C@H]1CC12CC[NH2+]CC2 ZINC000435432565 513584838 /nfs/dbraw/zinc/58/48/38/513584838.db2.gz NRYKXPYHJHXWSF-KRWDZBQOSA-N 1 0 373.432 2.612 20 5 FFBDRO CC(C)(C)OC(=O)CC[C@@H]1CCCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000425474065 513586288 /nfs/dbraw/zinc/58/62/88/513586288.db2.gz KVTXFBFDLIJWJR-AWEZNQCLSA-N 1 0 352.435 2.768 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1CN1C[C@@H](SC)[C@@H]([NH+]2CCCC2)C1 ZINC000430220281 513591464 /nfs/dbraw/zinc/59/14/64/513591464.db2.gz PITGEFIDTOBGFB-DOTOQJQBSA-N 1 0 351.472 2.615 20 5 FFBDRO CCN(C)C(=O)[C@@H]([NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])C(C)C ZINC000425491057 513596407 /nfs/dbraw/zinc/59/64/07/513596407.db2.gz LLNUEFGRGDEAIP-AWEZNQCLSA-N 1 0 372.263 2.950 20 5 FFBDRO COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000451236069 513614033 /nfs/dbraw/zinc/61/40/33/513614033.db2.gz MOMFSCPSJJVVDI-OCCSQVGLSA-N 1 0 354.378 2.954 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000447911008 513621839 /nfs/dbraw/zinc/62/18/39/513621839.db2.gz GXHTXROMRYCVLA-HNNXBMFYSA-N 1 0 350.419 2.845 20 5 FFBDRO Cc1ncsc1CN(C[C@@H]1CC[NH2+]C1)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000435603080 513632987 /nfs/dbraw/zinc/63/29/87/513632987.db2.gz GSYZUXRFGHBGCH-LLVKDONJSA-N 1 0 366.468 2.673 20 5 FFBDRO Cc1ncsc1CN(C[C@H]1CC[NH2+]C1)C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000435602202 513633017 /nfs/dbraw/zinc/63/30/17/513633017.db2.gz UBYGTFZSNKVBJF-AWEZNQCLSA-N 1 0 374.466 2.920 20 5 FFBDRO Cc1cc(OCC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000430533878 513679184 /nfs/dbraw/zinc/67/91/84/513679184.db2.gz XVQXXNFSNSBYGJ-INIZCTEOSA-N 1 0 361.442 2.759 20 5 FFBDRO CC[NH2+]CC1CCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000430549175 513683522 /nfs/dbraw/zinc/68/35/22/513683522.db2.gz MZXCTJVXFQIZCY-UHFFFAOYSA-N 1 0 354.838 2.508 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000451341205 513688937 /nfs/dbraw/zinc/68/89/37/513688937.db2.gz KTIBYXRDXVPOMO-JQHSSLGASA-N 1 0 361.442 2.857 20 5 FFBDRO C[NH2+]C[C@@H]1CCCN(Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C1 ZINC000430622106 513705616 /nfs/dbraw/zinc/70/56/16/513705616.db2.gz FCELIFRKPPEFPA-NSHDSACASA-N 1 0 359.373 2.636 20 5 FFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000430626524 513706423 /nfs/dbraw/zinc/70/64/23/513706423.db2.gz LMDUTTNTFDFARP-SWLSCSKDSA-N 1 0 351.472 2.970 20 5 FFBDRO C[C@@H]([NH2+][C@@H]1CCO[C@@H](c2ccccn2)C1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000419310268 513771048 /nfs/dbraw/zinc/77/10/48/513771048.db2.gz QSRUYMXFTGUZHX-DDUZABMNSA-N 1 0 370.409 2.827 20 5 FFBDRO CC1(C)[C@H]([NH2+]CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])[C@H]2CCCO[C@H]21 ZINC000451478242 513775177 /nfs/dbraw/zinc/77/51/77/513775177.db2.gz JROZBAWRSFZSDS-HFBAOOFYSA-N 1 0 367.833 2.980 20 5 FFBDRO CCOc1ccc(NC(=O)C[NH2+][C@H]2C[C@@](C)(OC)C2(C)C)c([N+](=O)[O-])c1 ZINC000451484801 513780257 /nfs/dbraw/zinc/78/02/57/513780257.db2.gz HRPIUQAQLQYNEJ-MAUKXSAKSA-N 1 0 365.430 2.725 20 5 FFBDRO Cc1cc(S(=O)(=O)N2CCC(CC[NH+](C)C)CC2)c(C)cc1[N+](=O)[O-] ZINC000416458361 513781856 /nfs/dbraw/zinc/78/18/56/513781856.db2.gz QDPVYZNNYKZPAF-UHFFFAOYSA-N 1 0 369.487 2.564 20 5 FFBDRO CC(C)O[C@@H]1C[C@@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1(C)C ZINC000451490146 513784334 /nfs/dbraw/zinc/78/43/34/513784334.db2.gz CXYVJQWFESDPMR-KBRIMQKVSA-N 1 0 352.431 2.516 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H]1C[C@](C)(OC)C1(C)C ZINC000451502354 513793486 /nfs/dbraw/zinc/79/34/86/513793486.db2.gz ZQZJBBHONYOWDV-YJBOKZPZSA-N 1 0 365.430 2.725 20 5 FFBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000448691447 513846924 /nfs/dbraw/zinc/84/69/24/513846924.db2.gz QTMYGNAQYFWCTP-ZDUSSCGKSA-N 1 0 357.414 2.589 20 5 FFBDRO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000451589153 513851996 /nfs/dbraw/zinc/85/19/96/513851996.db2.gz UCYHUEQLNACRHK-GUTXKFCHSA-N 1 0 363.414 2.552 20 5 FFBDRO C[C@H](CNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](C)C1 ZINC000448703569 513854285 /nfs/dbraw/zinc/85/42/85/513854285.db2.gz BYEXIWITJSVDGP-LSDHHAIUSA-N 1 0 361.442 2.794 20 5 FFBDRO CC(C)[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H](CO)C(C)C ZINC000451603882 513861297 /nfs/dbraw/zinc/86/12/97/513861297.db2.gz XTWLSZMSONBJTQ-KBXCAEBGSA-N 1 0 351.447 2.802 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H]([C@H](CO)C1CC1)C1CC1 ZINC000451612927 513866158 /nfs/dbraw/zinc/86/61/58/513866158.db2.gz QLTXHCQERMFUSS-APWZRJJASA-N 1 0 361.442 2.619 20 5 FFBDRO C[C@H]1[C@H](NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CCC[N@@H+]1C ZINC000426209177 513872957 /nfs/dbraw/zinc/87/29/57/513872957.db2.gz HNBBBWYXCAPQAC-IINYFYTJSA-N 1 0 374.363 2.896 20 5 FFBDRO CC(C)(C)[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CC1 ZINC000448752443 513880003 /nfs/dbraw/zinc/88/00/03/513880003.db2.gz WQTIKQNCYWATIR-UHFFFAOYSA-N 1 0 371.441 2.773 20 5 FFBDRO [NH3+]C[C@H]1Cc2ccccc2N1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000422628676 513881005 /nfs/dbraw/zinc/88/10/05/513881005.db2.gz VBGBNOLGABTXFL-OAHLLOKOSA-N 1 0 352.394 2.699 20 5 FFBDRO C[C@@H]1CN(C(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C[C@@H](C)[NH2+]1 ZINC000422815266 513941101 /nfs/dbraw/zinc/94/11/01/513941101.db2.gz BDLDLRRNVZVQGJ-VXGBXAGGSA-N 1 0 353.397 2.643 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@@H](CO)CC(C)(C)C ZINC000451777224 513974824 /nfs/dbraw/zinc/97/48/24/513974824.db2.gz HZSFWSGFOLRYJG-OAHLLOKOSA-N 1 0 351.447 2.961 20 5 FFBDRO CCOc1ccc(NC(=O)C[N@H+](C)[C@@H](CO)CC(C)(C)C)c([N+](=O)[O-])c1 ZINC000451782765 513977374 /nfs/dbraw/zinc/97/73/74/513977374.db2.gz RLYNKJZXHIDZSF-CYBMUJFWSA-N 1 0 367.446 2.661 20 5 FFBDRO C[NH+](C)CCC1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CC1 ZINC000448976137 514003598 /nfs/dbraw/zinc/00/35/98/514003598.db2.gz LCGKEIMJWCUXBR-UHFFFAOYSA-N 1 0 371.441 2.584 20 5 FFBDRO C[C@@H]([NH2+]C[C@@H](O)Cn1ccnn1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000414198113 514008315 /nfs/dbraw/zinc/00/83/15/514008315.db2.gz WBIUKQUWJOFZGE-CHWSQXEVSA-N 1 0 373.438 2.627 20 5 FFBDRO CN1CCC[C@@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC000451860375 514027111 /nfs/dbraw/zinc/02/71/11/514027111.db2.gz DPLXGRGUSHFTOG-VQIMIIECSA-N 1 0 371.437 2.895 20 5 FFBDRO O=[N+]([O-])c1cc(CN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc(C(F)(F)F)c1 ZINC000423081969 514034710 /nfs/dbraw/zinc/03/47/10/514034710.db2.gz DQQURTNSCMWNBQ-BZUAXINKSA-N 1 0 373.375 2.860 20 5 FFBDRO O=[N+]([O-])c1cc(CN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc(C(F)(F)F)c1 ZINC000423081972 514034846 /nfs/dbraw/zinc/03/48/46/514034846.db2.gz DQQURTNSCMWNBQ-HRCADAONSA-N 1 0 373.375 2.860 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])Nc1cc(C(N)=O)ccc1C[NH+](C)C ZINC000449054638 514054026 /nfs/dbraw/zinc/05/40/26/514054026.db2.gz HOMHFMFBJHOIQK-CYBMUJFWSA-N 1 0 356.426 2.798 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccc(OCC(=O)N(C)C)c1 ZINC000449094074 514069163 /nfs/dbraw/zinc/06/91/63/514069163.db2.gz ZNEMXEGZIPBILG-HNNXBMFYSA-N 1 0 371.437 2.783 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)c1nnnn1-c1ccccc1 ZINC000449138595 514088569 /nfs/dbraw/zinc/08/85/69/514088569.db2.gz CMSQOPGCGJKTJN-ZIAGYGMSSA-N 1 0 352.398 2.852 20 5 FFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420328862 514096543 /nfs/dbraw/zinc/09/65/43/514096543.db2.gz NEDNUSOWSOXSGD-MRXNPFEDSA-N 1 0 363.458 2.569 20 5 FFBDRO CC1(C)CC(NC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CC(C)(C)[NH2+]1 ZINC000449188291 514105823 /nfs/dbraw/zinc/10/58/23/514105823.db2.gz KFEKOJHEHONIKI-UHFFFAOYSA-N 1 0 371.441 2.820 20 5 FFBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000437184779 514109592 /nfs/dbraw/zinc/10/95/92/514109592.db2.gz DOMCXXUFKCTTFL-TZMCWYRMSA-N 1 0 369.849 2.958 20 5 FFBDRO COc1cc(C[NH2+]CC[C@@H]2COc3ccccc3O2)c([N+](=O)[O-])cc1O ZINC000414430216 514111081 /nfs/dbraw/zinc/11/10/81/514111081.db2.gz MBQPYPPTWQABEU-CYBMUJFWSA-N 1 0 360.366 2.629 20 5 FFBDRO O=C(CN1CCCC[C@H]1[C@@H]1CC[NH2+]C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000420387003 514123114 /nfs/dbraw/zinc/12/31/14/514123114.db2.gz GBGNJFZHGBRTQT-DOMZBBRYSA-N 1 0 366.849 2.651 20 5 FFBDRO Cc1cc(S(=O)(=O)N[C@@H](CCC[NH3+])c2ccccc2)ccc1[N+](=O)[O-] ZINC000420449574 514150748 /nfs/dbraw/zinc/15/07/48/514150748.db2.gz ABRVRYMIMWONGP-INIZCTEOSA-N 1 0 363.439 2.662 20 5 FFBDRO COc1c[nH+]ccc1N1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000432369462 514174714 /nfs/dbraw/zinc/17/47/14/514174714.db2.gz QHJDBPRHTRVDHK-UHFFFAOYSA-N 1 0 371.397 2.661 20 5 FFBDRO CCn1cc([N+](=O)[O-])c(C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)n1 ZINC000423626616 514187089 /nfs/dbraw/zinc/18/70/89/514187089.db2.gz SQVIXOLIYBNFBC-UHFFFAOYSA-N 1 0 357.292 2.541 20 5 FFBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCCN1CCCO ZINC000449386007 514189692 /nfs/dbraw/zinc/18/96/92/514189692.db2.gz HBSZHWGOTIQTDG-WDSOQIARSA-N 1 0 361.486 2.742 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@H]3CCCN(CCCO)C3)o2)c1 ZINC000449393199 514192250 /nfs/dbraw/zinc/19/22/50/514192250.db2.gz BQSPDDJUNGDIEC-INIZCTEOSA-N 1 0 359.426 2.791 20 5 FFBDRO NC(=O)c1cccc([N+](=O)[O-])c1NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000420592485 514194548 /nfs/dbraw/zinc/19/45/48/514194548.db2.gz ZSXPVXXYNMDFJL-INIZCTEOSA-N 1 0 368.437 2.670 20 5 FFBDRO CCOc1cc(NC(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)c([N+](=O)[O-])cc1OCC ZINC000414753401 514274488 /nfs/dbraw/zinc/27/44/88/514274488.db2.gz DNEAEBIQSHXZKW-NEPJUHHUSA-N 1 0 366.418 2.593 20 5 FFBDRO [NH3+][C@@H]1CCC[C@H](CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000449640868 514275972 /nfs/dbraw/zinc/27/59/72/514275972.db2.gz SYQTVJGGMVKDSE-JKSUJKDBSA-N 1 0 363.461 2.788 20 5 FFBDRO CCOc1cc(NC(=O)N[C@@H](C)CCC[NH3+])c([N+](=O)[O-])cc1OCC ZINC000414760321 514277601 /nfs/dbraw/zinc/27/76/01/514277601.db2.gz QJZLEVPLFDXLAD-NSHDSACASA-N 1 0 354.407 2.641 20 5 FFBDRO CCOc1cc(C(=O)Nc2ccc3c(c2)C[NH2+]C3)c([N+](=O)[O-])cc1OC ZINC000449661715 514288061 /nfs/dbraw/zinc/28/80/61/514288061.db2.gz CZDMXSKYJWHGRW-UHFFFAOYSA-N 1 0 357.366 2.858 20 5 FFBDRO CCN(CC)S(=O)(=O)CC[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417311448 514289169 /nfs/dbraw/zinc/28/91/69/514289169.db2.gz LVAULVBOFHSUBF-QGZVFWFLSA-N 1 0 369.487 2.624 20 5 FFBDRO Cn1cc(C[N@@H+]2CCC[C@]3(CCOC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000449681879 514302510 /nfs/dbraw/zinc/30/25/10/514302510.db2.gz FJSWTTORWMNKFQ-IBGZPJMESA-N 1 0 356.426 2.998 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N[C@H]3CC[C@@H](C[NH3+])C3)cc2[N+](=O)[O-])CC1 ZINC000449706531 514314672 /nfs/dbraw/zinc/31/46/72/514314672.db2.gz AYSDMTROEMXTCH-ZBFHGGJFSA-N 1 0 360.458 2.688 20 5 FFBDRO COc1cccc(C(=O)Nc2nc(C3CC[NH2+]CC3)cs2)c1[N+](=O)[O-] ZINC000423980334 514319777 /nfs/dbraw/zinc/31/97/77/514319777.db2.gz SDRQYTJQQUDMIA-UHFFFAOYSA-N 1 0 362.411 2.779 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000427818026 514323718 /nfs/dbraw/zinc/32/37/18/514323718.db2.gz NVPXYSOCUZXJEF-HNNXBMFYSA-N 1 0 357.410 2.506 20 5 FFBDRO Cc1c(NC(=O)CC[N@@H+](C)C[C@H](O)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000433056066 514364754 /nfs/dbraw/zinc/36/47/54/514364754.db2.gz CAAFEESPUBDJDP-QGZVFWFLSA-N 1 0 371.437 2.767 20 5 FFBDRO Cc1ccc([C@H](C)Nc2ccc3c(c2)CN(CC(N)=O)CC3)cc1[N+](=O)[O-] ZINC000433075170 514371360 /nfs/dbraw/zinc/37/13/60/514371360.db2.gz JVSUUQZNARDETL-AWEZNQCLSA-N 1 0 368.437 2.920 20 5 FFBDRO C[C@]1(CNC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CCC[NH2+]C1 ZINC000414962342 514377623 /nfs/dbraw/zinc/37/76/23/514377623.db2.gz ZPORWXFTOWTJEE-HNNXBMFYSA-N 1 0 358.345 2.707 20 5 FFBDRO COc1cc(C[N@@H+]2C[C@@H](C)C[C@H](CO)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000420949385 514396940 /nfs/dbraw/zinc/39/69/40/514396940.db2.gz VLRCYHXPXMLUKI-RYUDHWBXSA-N 1 0 374.384 2.698 20 5 FFBDRO CS(=O)(=O)CCCC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000424177345 514408568 /nfs/dbraw/zinc/40/85/68/514408568.db2.gz ZWCPOOQAAOLITR-UHFFFAOYSA-N 1 0 369.468 2.633 20 5 FFBDRO CN(Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)C[C@H](O)C[NH3+] ZINC000415072603 514428538 /nfs/dbraw/zinc/42/85/38/514428538.db2.gz XCWXYQURGJBZJN-CQSZACIVSA-N 1 0 365.817 2.792 20 5 FFBDRO COc1cc(CN(C)C[C@@H]2CCC[N@@H+]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000421002744 514433019 /nfs/dbraw/zinc/43/30/19/514433019.db2.gz MPZHKYJFKYRTKG-LBPRGKRZSA-N 1 0 359.373 2.731 20 5 FFBDRO CC[NH2+]Cc1ccccc1NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000428302568 514444572 /nfs/dbraw/zinc/44/45/72/514444572.db2.gz DUNRTWKMCJJNGH-UHFFFAOYSA-N 1 0 371.393 2.657 20 5 FFBDRO Cc1c(CC(=O)NCC2([NH+](C)C)Cc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000438825884 514450460 /nfs/dbraw/zinc/45/04/60/514450460.db2.gz KMBMWOJCRCRJDU-UHFFFAOYSA-N 1 0 367.449 2.661 20 5 FFBDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000438865465 514454820 /nfs/dbraw/zinc/45/48/20/514454820.db2.gz GRJWTIQUYGFHFQ-SFHVURJKSA-N 1 0 362.474 2.947 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000428530325 514490074 /nfs/dbraw/zinc/49/00/74/514490074.db2.gz CXBRPQVUBAMUOD-MRXNPFEDSA-N 1 0 355.394 2.722 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)N1CCOC2(CCCC2)C1 ZINC000450145916 514510519 /nfs/dbraw/zinc/51/05/19/514510519.db2.gz KCRKJHHISMMPIH-UHFFFAOYSA-N 1 0 356.382 2.566 20 5 FFBDRO O=C(Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1)Nc1cccc([N+](=O)[O-])c1 ZINC000461110001 514517119 /nfs/dbraw/zinc/51/71/19/514517119.db2.gz VFIWZRHLMGOBQN-QGZVFWFLSA-N 1 0 356.382 2.805 20 5 FFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1 ZINC000461115393 514519237 /nfs/dbraw/zinc/51/92/37/514519237.db2.gz XDNCNQUNYSJNDX-KRWDZBQOSA-N 1 0 356.382 2.805 20 5 FFBDRO Cn1cc(CN2C[C@@H](F)C[C@H]2C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])cn1 ZINC000475040663 514535873 /nfs/dbraw/zinc/53/58/73/514535873.db2.gz UPKCRZJKZUFATM-SUHNMESWSA-N 1 0 373.432 2.544 20 5 FFBDRO C[NH+](C)C[C@@H](NC(=O)CNc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000488910367 514630258 /nfs/dbraw/zinc/63/02/58/514630258.db2.gz KWHDERQDALPAMA-MRXNPFEDSA-N 1 0 360.389 2.565 20 5 FFBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000470977522 514703846 /nfs/dbraw/zinc/70/38/46/514703846.db2.gz WWDZHLGMIBQDLG-HOCLYGCPSA-N 1 0 360.458 2.586 20 5 FFBDRO COC(=O)COc1ccc(C[N@H+](C)Cc2cccc(OC)c2)cc1[N+](=O)[O-] ZINC000475545745 514711654 /nfs/dbraw/zinc/71/16/54/514711654.db2.gz BXBWQOARRSZXRE-UHFFFAOYSA-N 1 0 374.393 2.787 20 5 FFBDRO C[NH+]1CCC(C)(CNC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000508397048 514766684 /nfs/dbraw/zinc/76/66/84/514766684.db2.gz ARZAYMXHABGHEA-UHFFFAOYSA-N 1 0 368.865 2.822 20 5 FFBDRO Cc1ccc(S(=O)(=O)NC2CC[NH+](C3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000484790090 514797423 /nfs/dbraw/zinc/79/74/23/514797423.db2.gz UPDFEBKKPQPWTE-UHFFFAOYSA-N 1 0 367.471 2.589 20 5 FFBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000467018944 514864588 /nfs/dbraw/zinc/86/45/88/514864588.db2.gz QXCAQBIOZZFGKK-IAQYHMDHSA-N 1 0 372.450 2.931 20 5 FFBDRO COc1cc(C[NH2+][C@H](C)CC(N)=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000498366299 514883631 /nfs/dbraw/zinc/88/36/31/514883631.db2.gz XNZWSYDQEQUNIM-CYBMUJFWSA-N 1 0 373.409 2.536 20 5 FFBDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000498473895 514919660 /nfs/dbraw/zinc/91/96/60/514919660.db2.gz OKBYOVTWDLGGGI-CYBMUJFWSA-N 1 0 368.865 2.774 20 5 FFBDRO COc1ccc(C[N@H+](CCn2ccc([N+](=O)[O-])n2)CC2CC2)c(OC)c1 ZINC000503208407 514960248 /nfs/dbraw/zinc/96/02/48/514960248.db2.gz KVYVDXJCOLVRMS-UHFFFAOYSA-N 1 0 360.414 2.721 20 5 FFBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[C@@H]1C ZINC000498568318 514977118 /nfs/dbraw/zinc/97/71/18/514977118.db2.gz AXRLZSSZVMWODX-QWRGUYRKSA-N 1 0 370.247 2.912 20 5 FFBDRO [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000471772846 515007070 /nfs/dbraw/zinc/00/70/70/515007070.db2.gz PFVCSCLNVUHUMF-RDJZCZTQSA-N 1 0 356.426 2.735 20 5 FFBDRO Cn1c(C(=O)N2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000471781895 515010860 /nfs/dbraw/zinc/01/08/60/515010860.db2.gz QOXUVSBIGYEWNZ-DLBZAZTESA-N 1 0 370.453 2.746 20 5 FFBDRO CN(c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1)C1CC[NH+](CCO)CC1 ZINC000485398538 515025236 /nfs/dbraw/zinc/02/52/36/515025236.db2.gz KYSBGNSFSLHYBJ-UHFFFAOYSA-N 1 0 374.416 2.689 20 5 FFBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H]2CCC[C@H]2OC(F)F)c([N+](=O)[O-])c1 ZINC000503524731 515067541 /nfs/dbraw/zinc/06/75/41/515067541.db2.gz ZKFLKAGNURNYEG-TZMCWYRMSA-N 1 0 373.356 2.682 20 5 FFBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](C3CC3)C2)nc1OCc1ccccc1 ZINC000462484571 515077627 /nfs/dbraw/zinc/07/76/27/515077627.db2.gz AJOIDSJOYFVGMQ-HNNXBMFYSA-N 1 0 354.410 2.639 20 5 FFBDRO COc1c(C(=O)NCc2ccc(C[NH+](C)C)c(F)c2)cccc1[N+](=O)[O-] ZINC000476524919 515086517 /nfs/dbraw/zinc/08/65/17/515086517.db2.gz NTKMXRHWXUTTOM-UHFFFAOYSA-N 1 0 361.373 2.734 20 5 FFBDRO C[NH+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)C1 ZINC000462501507 515089686 /nfs/dbraw/zinc/08/96/86/515089686.db2.gz NMRWDIMMJFXXLO-MRXNPFEDSA-N 1 0 356.426 2.957 20 5 FFBDRO O=[N+]([O-])c1cccc([C@H](NC[C@H](O)C[NH+]2CCCC2)c2ccccc2)c1 ZINC000490149313 515123621 /nfs/dbraw/zinc/12/36/21/515123621.db2.gz ITGFSVNKUFKHFO-VQTJNVASSA-N 1 0 355.438 2.731 20 5 FFBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000485704020 515151950 /nfs/dbraw/zinc/15/19/50/515151950.db2.gz JNOGIJHHXOCDTL-BETUJISGSA-N 1 0 369.412 2.900 20 5 FFBDRO Cc1noc([C@@H]2CC[N@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C2)n1 ZINC000499005976 515163346 /nfs/dbraw/zinc/16/33/46/515163346.db2.gz NRSFJHMZBWRPFG-CQSZACIVSA-N 1 0 369.381 2.973 20 5 FFBDRO COc1c[nH+]ccc1N1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000481063941 515193505 /nfs/dbraw/zinc/19/35/05/515193505.db2.gz TZVYQQZJXHFLET-UHFFFAOYSA-N 1 0 365.393 2.873 20 5 FFBDRO CC(C)[NH+](CCN(C)S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000504005055 515195570 /nfs/dbraw/zinc/19/55/70/515195570.db2.gz IPJVHBGZFFWAII-UHFFFAOYSA-N 1 0 371.503 2.518 20 5 FFBDRO Cc1ccc(CN(CC[NH+](C)C)C(=O)CCNc2ccccc2[N+](=O)[O-])o1 ZINC000504021561 515199207 /nfs/dbraw/zinc/19/92/07/515199207.db2.gz DDJIKIHZXKNLNV-UHFFFAOYSA-N 1 0 374.441 2.889 20 5 FFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000462780252 515240269 /nfs/dbraw/zinc/24/02/69/515240269.db2.gz VTPXUPRDQHPBBD-CRAIPNDOSA-N 1 0 365.499 2.717 20 5 FFBDRO CC(C)[NH+](CCN(C)C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(C)C ZINC000504201245 515244085 /nfs/dbraw/zinc/24/40/85/515244085.db2.gz HONCDOFCRRFLMB-UHFFFAOYSA-N 1 0 365.430 2.557 20 5 FFBDRO Cc1nn(C)c(C(=O)N2CC[NH+](C(C)(C)CC(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000456683339 515348923 /nfs/dbraw/zinc/34/89/23/515348923.db2.gz AUPAULZEFNBYOS-UHFFFAOYSA-N 1 0 365.478 2.609 20 5 FFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(C(N)=O)nc1 ZINC000504894369 515405231 /nfs/dbraw/zinc/40/52/31/515405231.db2.gz KZMGXRIBQMKBRD-ZDUSSCGKSA-N 1 0 360.439 2.749 20 5 FFBDRO C[N@@H+]1C[C@H](NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)[C@H](c2ccccc2)C1 ZINC000481793544 515469713 /nfs/dbraw/zinc/46/97/13/515469713.db2.gz KKWMTEZKDDGUMM-HKUYNNGSSA-N 1 0 364.405 2.904 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000481961358 515528413 /nfs/dbraw/zinc/52/84/13/515528413.db2.gz YTMOWCYZHXJSQH-HNNXBMFYSA-N 1 0 369.487 2.754 20 5 FFBDRO CC[NH+](CC)[C@@H](CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)CC(C)C ZINC000468812238 515531252 /nfs/dbraw/zinc/53/12/52/515531252.db2.gz DOLVSICOOQERLM-QGZVFWFLSA-N 1 0 371.503 2.771 20 5 FFBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@@H](c2ccccc2C)[NH+](C)C)n1 ZINC000510552388 515583796 /nfs/dbraw/zinc/58/37/96/515583796.db2.gz QGQOCBZFYQATLN-DYVFJYSZSA-N 1 0 359.430 2.541 20 5 FFBDRO CC[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000500103104 515591629 /nfs/dbraw/zinc/59/16/29/515591629.db2.gz QMGUTZWQAWCWCI-OAHLLOKOSA-N 1 0 369.487 2.754 20 5 FFBDRO CC1(C)CCC[N@@H+]1CCNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000457062381 515618275 /nfs/dbraw/zinc/61/82/75/515618275.db2.gz UXJHMHAOGCQMCL-UHFFFAOYSA-N 1 0 370.247 2.962 20 5 FFBDRO O=[N+]([O-])c1cc2ccccc2nc1NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000473514559 515642147 /nfs/dbraw/zinc/64/21/47/515642147.db2.gz WOVMKKDWORGHQE-MJGOQNOKSA-N 1 0 370.453 2.745 20 5 FFBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3C[C@@H](C)[NH2+]C[C@H]3C)cc2[N+](=O)[O-])C1 ZINC000505850289 515696250 /nfs/dbraw/zinc/69/62/50/515696250.db2.gz FZAAXMNOHJIVNL-QKPAOTATSA-N 1 0 374.485 2.900 20 5 FFBDRO C[C@H]1CCCN(c2ccc(C(=O)NC[C@H](C3CC3)[NH+](C)C)cc2[N+](=O)[O-])C1 ZINC000510927579 515718080 /nfs/dbraw/zinc/71/80/80/515718080.db2.gz IJLSHVQJKCNAKZ-IFXJQAMLSA-N 1 0 374.485 2.901 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)NC[C@H](C3CC3)[NH+](C)C)cc2[N+](=O)[O-])C1 ZINC000510927578 515719192 /nfs/dbraw/zinc/71/91/92/515719192.db2.gz IJLSHVQJKCNAKZ-AUUYWEPGSA-N 1 0 374.485 2.901 20 5 FFBDRO Cn1cc(C(=O)NCCCC[N@H+](C)C2CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000457198661 515719473 /nfs/dbraw/zinc/71/94/73/515719473.db2.gz KDUNRMJMPDHZKA-UHFFFAOYSA-N 1 0 371.441 2.600 20 5 FFBDRO CCCC[N@@H+]1CCCC[C@H]1CNc1ncc(C(=O)OC)cc1[N+](=O)[O-] ZINC000478260051 515756522 /nfs/dbraw/zinc/75/65/22/515756522.db2.gz QNUZCTSPVKTNGR-AWEZNQCLSA-N 1 0 350.419 2.843 20 5 FFBDRO COc1cccc2c1C[C@@H]([NH2+]Cc1cc(OC)c(OC)cc1[N+](=O)[O-])C2 ZINC000459716138 515763204 /nfs/dbraw/zinc/76/32/04/515763204.db2.gz ZJGLHTQKXXSQLT-AWEZNQCLSA-N 1 0 358.394 2.878 20 5 FFBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccc(OCC(F)(F)F)cc1 ZINC000511071413 515766818 /nfs/dbraw/zinc/76/68/18/515766818.db2.gz DVFYOPGFADJSPZ-UHFFFAOYSA-N 1 0 358.320 2.864 20 5 FFBDRO O=[N+]([O-])c1ccc2[nH]c(CN3CCC(OCC[NH+]4CCCC4)CC3)nc2c1 ZINC000482703779 515775389 /nfs/dbraw/zinc/77/53/89/515775389.db2.gz FIPVAUQZBBLMDU-UHFFFAOYSA-N 1 0 373.457 2.548 20 5 FFBDRO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CCc1nc2ccccc2c(=O)[nH]1 ZINC000511108353 515784078 /nfs/dbraw/zinc/78/40/78/515784078.db2.gz NBMIPESUHRUGCA-UHFFFAOYSA-N 1 0 352.394 2.961 20 5 FFBDRO CCCCN(C(=O)c1cc([N+](=O)[O-])n[nH]1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000511193838 515822394 /nfs/dbraw/zinc/82/23/94/515822394.db2.gz PFEOYQMOEFNKHW-UHFFFAOYSA-N 1 0 351.451 2.869 20 5 FFBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C[C@@H](C)C1 ZINC000494386538 515828130 /nfs/dbraw/zinc/82/81/30/515828130.db2.gz NRJHDLZJNSYKCA-HWWQOWPSSA-N 1 0 350.394 2.928 20 5 FFBDRO C[NH+](C)CCN(Cc1ccccn1)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000500746597 515839474 /nfs/dbraw/zinc/83/94/74/515839474.db2.gz UXYHNDSZEKKFNL-UHFFFAOYSA-N 1 0 368.393 2.940 20 5 FFBDRO CCCN(CC[NH+]1CCCC1)S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000511318541 515861979 /nfs/dbraw/zinc/86/19/79/515861979.db2.gz CVVAFGMMSUNICR-UHFFFAOYSA-N 1 0 369.487 2.708 20 5 FFBDRO CC[N@@H+]1CCN(Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000511553021 515942556 /nfs/dbraw/zinc/94/25/56/515942556.db2.gz ISJNHBUWBDLLBR-GFCCVEGCSA-N 1 0 373.400 2.773 20 5 FFBDRO C[C@@H]1CCCN1C(=O)CC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464782931 515956419 /nfs/dbraw/zinc/95/64/19/515956419.db2.gz CQWGGSBLMBIAHN-OAHLLOKOSA-N 1 0 361.442 2.839 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)N3CC[C@@H]4[NH2+]CC[C@@H]4C3)cc2[N+](=O)[O-])C1 ZINC000494881054 515996657 /nfs/dbraw/zinc/99/66/57/515996657.db2.gz UTJODGAALXKHOQ-OIISXLGYSA-N 1 0 372.469 2.655 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2CCC[C@H](SC)C2)cc1[N+](=O)[O-] ZINC000474364874 516013100 /nfs/dbraw/zinc/01/31/00/516013100.db2.gz CIZOLSSHZIBHCQ-KGLIPLIRSA-N 1 0 368.455 2.910 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+][C@H]2CCC[C@H](SC)C2)cc1[N+](=O)[O-] ZINC000474364873 516013501 /nfs/dbraw/zinc/01/35/01/516013501.db2.gz CIZOLSSHZIBHCQ-KBPBESRZSA-N 1 0 368.455 2.910 20 5 FFBDRO Cc1ccccc1[C@H]([C@H](C)NC(=O)Nc1ccncc1[N+](=O)[O-])[NH+](C)C ZINC000478949071 516017403 /nfs/dbraw/zinc/01/74/03/516017403.db2.gz HLQAXLIEBPYXCC-GUYCJALGSA-N 1 0 357.414 2.533 20 5 FFBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1 ZINC000488028078 516085040 /nfs/dbraw/zinc/08/50/40/516085040.db2.gz SGOHGLFXGBDLPN-DAYGRLMNSA-N 1 0 360.458 2.509 20 5 FFBDRO Cn1c(C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)ccc1[N+](=O)[O-] ZINC000501398079 516090949 /nfs/dbraw/zinc/09/09/49/516090949.db2.gz UWULUHOLXBFHLK-UHFFFAOYSA-N 1 0 374.466 2.777 20 5 FFBDRO Cn1cnc([N+](=O)[O-])c1N(CC[NH+](C)C)Cc1cccc(C(F)(F)F)c1 ZINC000470047444 516091474 /nfs/dbraw/zinc/09/14/74/516091474.db2.gz SLFIUAJWCLGFNH-UHFFFAOYSA-N 1 0 371.363 2.915 20 5 FFBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000488075357 516106152 /nfs/dbraw/zinc/10/61/52/516106152.db2.gz OKSGYIPEDQKAIL-LSDHHAIUSA-N 1 0 366.849 2.717 20 5 FFBDRO CC[NH+](CC)CCOC1CCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2)CC1 ZINC000465261448 516109617 /nfs/dbraw/zinc/10/96/17/516109617.db2.gz KKWFOKWGMREAFZ-UHFFFAOYSA-N 1 0 363.458 2.866 20 5 FFBDRO COc1cc(N2CCN(C/C(C)=C/c3cccc([N+](=O)[O-])c3)CC2)ncn1 ZINC000470207182 516171982 /nfs/dbraw/zinc/17/19/82/516171982.db2.gz BUGRYXCLKXHPRQ-XNTDXEJSSA-N 1 0 369.425 2.619 20 5 FFBDRO C[NH+](C)[C@@]1(CNc2ncc(Br)cc2[N+](=O)[O-])CCSC1 ZINC000474776920 516190461 /nfs/dbraw/zinc/19/04/61/516190461.db2.gz TVEYWIVPOZYOLD-GFCCVEGCSA-N 1 0 361.265 2.602 20 5 FFBDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000470368115 516222716 /nfs/dbraw/zinc/22/27/16/516222716.db2.gz XJYWHCRBNWRYIM-MRXNPFEDSA-N 1 0 362.474 2.805 20 5 FFBDRO CCOCCCNC(=O)C1CC[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000488440695 516227076 /nfs/dbraw/zinc/22/70/76/516227076.db2.gz QGZPOEIKDZBUFZ-HNNXBMFYSA-N 1 0 363.458 2.911 20 5 FFBDRO Cc1[nH+]ccc(N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1Cl ZINC000497141693 516298345 /nfs/dbraw/zinc/29/83/45/516298345.db2.gz FIKWGZWCEYVZTP-UHFFFAOYSA-N 1 0 360.801 2.914 20 5 FFBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000550653996 516370882 /nfs/dbraw/zinc/37/08/82/516370882.db2.gz YNKRFYFOJHPLQA-LLVKDONJSA-N 1 0 370.247 2.832 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](COC(F)F)C1 ZINC000512822378 516376322 /nfs/dbraw/zinc/37/63/22/516376322.db2.gz GJTNQEQZWPUNDJ-LBPRGKRZSA-N 1 0 357.357 2.793 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCCCC[N@@H+]2CCC[C@H](C)C2)n1 ZINC000561118444 516390442 /nfs/dbraw/zinc/39/04/42/516390442.db2.gz DQWJIKPTNZIZBK-ZDUSSCGKSA-N 1 0 350.419 2.700 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])c(NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)n1 ZINC000543790708 516430190 /nfs/dbraw/zinc/43/01/90/516430190.db2.gz ZJLUYLLPIWDZCI-IBGZPJMESA-N 1 0 356.426 2.656 20 5 FFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CCn1cc(Br)cn1 ZINC000512993674 516436168 /nfs/dbraw/zinc/43/61/68/516436168.db2.gz UGTTWGVOMISTKQ-HWKANZROSA-N 1 0 351.204 2.857 20 5 FFBDRO COC(=O)c1ccc(C[NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000517783451 516450980 /nfs/dbraw/zinc/45/09/80/516450980.db2.gz QEANNABIXVBODV-CYBMUJFWSA-N 1 0 371.393 2.888 20 5 FFBDRO C[NH+](C)CCN(C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccccc1 ZINC000523380233 516454860 /nfs/dbraw/zinc/45/48/60/516454860.db2.gz AUASIBGXYDUVHN-UHFFFAOYSA-N 1 0 357.366 2.532 20 5 FFBDRO CC(C)(C)[N@@H+]1CCCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC1 ZINC000535718381 516464997 /nfs/dbraw/zinc/46/49/97/516464997.db2.gz IIRWBHQKWARIEE-UHFFFAOYSA-N 1 0 371.441 2.727 20 5 FFBDRO C[C@@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc2n[nH]cc2c1 ZINC000513204576 516520259 /nfs/dbraw/zinc/52/02/59/516520259.db2.gz GPDSHWOKSUJUQU-WBMJQRKESA-N 1 0 356.382 2.562 20 5 FFBDRO C[NH+](C)C[C@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000557955949 516521652 /nfs/dbraw/zinc/52/16/52/516521652.db2.gz SSNRAMIKXSZULP-KRWDZBQOSA-N 1 0 361.373 2.532 20 5 FFBDRO CS(=O)(=O)[C@H]1CCCC[C@@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000540359568 516526027 /nfs/dbraw/zinc/52/60/27/516526027.db2.gz CUJUYFQOKLYNQC-IRXDYDNUSA-N 1 0 354.472 2.863 20 5 FFBDRO CC(C)C1CCC([NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cn3)CC2)CC1 ZINC000531633201 516565898 /nfs/dbraw/zinc/56/58/98/516565898.db2.gz HRGMLSVQWWRKGF-UHFFFAOYSA-N 1 0 360.458 2.962 20 5 FFBDRO Cc1cc(N2CCN(Cc3ncc[nH]3)CC2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000518221952 516579417 /nfs/dbraw/zinc/57/94/17/516579417.db2.gz JWXSGFROZMQIOU-UHFFFAOYSA-N 1 0 369.347 2.967 20 5 FFBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000547855630 516599920 /nfs/dbraw/zinc/59/99/20/516599920.db2.gz VURHKAWDNJALDD-SFHVURJKSA-N 1 0 356.426 2.574 20 5 FFBDRO Cc1c(Br)c(N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)ncc1[N+](=O)[O-] ZINC000544394996 516739681 /nfs/dbraw/zinc/73/96/81/516739681.db2.gz SXENLPYTDSYSAG-NEPJUHHUSA-N 1 0 369.263 2.981 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CCCOCc3ccccc3)CC2)cn1 ZINC000544409754 516748439 /nfs/dbraw/zinc/74/84/39/516748439.db2.gz KRFQQIFJTVGGET-UHFFFAOYSA-N 1 0 356.426 2.719 20 5 FFBDRO Cc1c[nH+]ccc1N1CCC(C(=O)N(C)c2ccc([N+](=O)[O-])nc2)CC1 ZINC000561796620 516776931 /nfs/dbraw/zinc/77/69/31/516776931.db2.gz CTWNVWJQSMLJQN-UHFFFAOYSA-N 1 0 355.398 2.573 20 5 FFBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCN(CCc2ccccc2)CC1 ZINC000518799216 516779892 /nfs/dbraw/zinc/77/98/92/516779892.db2.gz ITJUXLWGNZHTPJ-UHFFFAOYSA-N 1 0 357.385 2.734 20 5 FFBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000561823225 516788547 /nfs/dbraw/zinc/78/85/47/516788547.db2.gz QNABLCJCKLFNGC-DGCLKSJQSA-N 1 0 353.369 2.501 20 5 FFBDRO C[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1Oc2ccccc2[C@@H]1C ZINC000544511594 516789358 /nfs/dbraw/zinc/78/93/58/516789358.db2.gz ASDVIFMIYRPGJV-OAVHHTNSSA-N 1 0 355.394 2.737 20 5 FFBDRO C[NH+](C)CCCC1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000536594541 516841962 /nfs/dbraw/zinc/84/19/62/516841962.db2.gz SNZHWGDXGFDDJW-UHFFFAOYSA-N 1 0 363.414 2.518 20 5 FFBDRO COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000541064558 516853692 /nfs/dbraw/zinc/85/36/92/516853692.db2.gz KKWQIERATZCHMO-JSGCOSHPSA-N 1 0 369.849 2.611 20 5 FFBDRO CC(C)[C@@H]1CN(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)CC[N@@H+]1C ZINC000558642080 516854843 /nfs/dbraw/zinc/85/48/43/516854843.db2.gz SJXDYIABSJLJTI-SFHVURJKSA-N 1 0 373.457 2.600 20 5 FFBDRO COc1ccc([C@H](C[NH+](C)C)NC(=O)NCc2cccc([N+](=O)[O-])c2)cc1 ZINC000562294259 517013718 /nfs/dbraw/zinc/01/37/18/517013718.db2.gz VNYULIMYDOEVBB-SFHVURJKSA-N 1 0 372.425 2.706 20 5 FFBDRO CC[N@@H+]1CCCC[C@H]1CN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000552044176 517049963 /nfs/dbraw/zinc/04/99/63/517049963.db2.gz SYQQNTPYUKSWAT-ZWKOTPCHSA-N 1 0 357.458 2.882 20 5 FFBDRO COc1cc(C(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)cc([N+](=O)[O-])c1OC ZINC000525576145 517080580 /nfs/dbraw/zinc/08/05/80/517080580.db2.gz OBQVQIGRKBLSLY-STQMWFEESA-N 1 0 365.430 2.605 20 5 FFBDRO CC[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C)c1c(C)nn(C)c1C ZINC000541593733 517129462 /nfs/dbraw/zinc/12/94/62/517129462.db2.gz YNWQYIYVBGFTTN-HNNXBMFYSA-N 1 0 359.430 2.933 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H](O)[C@@H]3CCOC3)o2)c(Cl)c1 ZINC000537315442 517139139 /nfs/dbraw/zinc/13/91/39/517139139.db2.gz SCWNWGQHRABOPJ-BZNIZROVSA-N 1 0 366.801 2.995 20 5 FFBDRO COc1cc(C(=O)NCc2ccc(C[NH+](C)C)cc2)cc([N+](=O)[O-])c1OC ZINC000525750416 517148614 /nfs/dbraw/zinc/14/86/14/517148614.db2.gz CUNCJQOOBDTGPR-UHFFFAOYSA-N 1 0 373.409 2.604 20 5 FFBDRO CCOC(=O)[C@]1(C(C)C)CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000562598196 517224481 /nfs/dbraw/zinc/22/44/81/517224481.db2.gz SNSXHOQSHIKYFO-GOSISDBHSA-N 1 0 350.415 2.885 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CC[C@H](c3cccc(F)c3)C2)c1 ZINC000552513154 517290886 /nfs/dbraw/zinc/29/08/86/517290886.db2.gz ILTQCICOILRBLE-YJBOKZPZSA-N 1 0 360.385 2.963 20 5 FFBDRO C[C@@H](COc1cccc(F)c1)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000515466839 517363209 /nfs/dbraw/zinc/36/32/09/517363209.db2.gz AAMXDFQBFFHBQG-XJKSGUPXSA-N 1 0 364.373 2.531 20 5 FFBDRO COc1ccc(C[C@@H]2CCC[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)cc1 ZINC000515469981 517366419 /nfs/dbraw/zinc/36/64/19/517366419.db2.gz HPTIXRXXTYOQJS-KRWDZBQOSA-N 1 0 371.437 2.720 20 5 FFBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1Nc1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000520441907 517395856 /nfs/dbraw/zinc/39/58/56/517395856.db2.gz BYUVFUPLCGZVRE-SUMWQHHRSA-N 1 0 354.410 2.626 20 5 FFBDRO COC(=O)CCC1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000533345071 517415462 /nfs/dbraw/zinc/41/54/62/517415462.db2.gz XDYUPPOZLHBVHR-UHFFFAOYSA-N 1 0 363.414 2.589 20 5 FFBDRO COC(=O)CCC1CC[NH+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000533344833 517415473 /nfs/dbraw/zinc/41/54/73/517415473.db2.gz REMOYUZXRIVLTH-ZDUSSCGKSA-N 1 0 363.414 2.587 20 5 FFBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CC=CCC1 ZINC000556569351 517496732 /nfs/dbraw/zinc/49/67/32/517496732.db2.gz YSCTVFBEHUXUEL-UHFFFAOYSA-N 1 0 368.231 2.657 20 5 FFBDRO CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC000549456749 517572976 /nfs/dbraw/zinc/57/29/76/517572976.db2.gz UEBCDMLPSZKWSD-UHFFFAOYSA-N 1 0 370.457 2.938 20 5 FFBDRO O=C(NC[C@H](NCc1ccccc1)c1ccco1)c1ccc([N+](=O)[O-])cn1 ZINC000553212855 517577842 /nfs/dbraw/zinc/57/78/42/517577842.db2.gz YQEDEFPFXROMDL-KRWDZBQOSA-N 1 0 366.377 2.844 20 5 FFBDRO C[NH+](C)[C@@H]1CCc2cc(NC[C@@H](O)COc3cccc([N+](=O)[O-])c3)ccc21 ZINC000563009928 517581808 /nfs/dbraw/zinc/58/18/08/517581808.db2.gz NXEJUAITMCEZGD-YLJYHZDGSA-N 1 0 371.437 2.996 20 5 FFBDRO CCCC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000546176768 517582298 /nfs/dbraw/zinc/58/22/98/517582298.db2.gz QWUBAQNVVGQYDB-OAHLLOKOSA-N 1 0 355.460 2.528 20 5 FFBDRO Cc1cc(N[C@@H](C)CN2CC[NH+](C)CC2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000549488613 517586638 /nfs/dbraw/zinc/58/66/38/517586638.db2.gz AHGFDDGQTYARRY-LBPRGKRZSA-N 1 0 360.380 2.970 20 5 FFBDRO Cn1cc([C@@H](CO)[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)cn1 ZINC000533803782 517618477 /nfs/dbraw/zinc/61/84/77/517618477.db2.gz ZBKDWBWBCWJZEQ-OAHLLOKOSA-N 1 0 358.423 2.880 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+]2CCC(CC(F)(F)F)CC2)c1 ZINC000560169467 517618938 /nfs/dbraw/zinc/61/89/38/517618938.db2.gz ZXOKSBZELHUWTP-CQSZACIVSA-N 1 0 362.348 2.999 20 5 FFBDRO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000563113639 517667606 /nfs/dbraw/zinc/66/76/06/517667606.db2.gz SGINEWXQQNGNDQ-GOSISDBHSA-N 1 0 368.437 2.993 20 5 FFBDRO O=C1NCCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)[C@@H]1Cc1ccccc1 ZINC000549832891 517734231 /nfs/dbraw/zinc/73/42/31/517734231.db2.gz PDFGCAKTHJELNU-LJQANCHMSA-N 1 0 353.422 2.571 20 5 FFBDRO COc1cc(C(=O)N[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000563235264 517761028 /nfs/dbraw/zinc/76/10/28/517761028.db2.gz OXANEJJSTZHFMK-FQEVSTJZSA-N 1 0 369.421 2.998 20 5 FFBDRO COc1cc(C(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)cc([N+](=O)[O-])c1C ZINC000553528242 517765553 /nfs/dbraw/zinc/76/55/53/517765553.db2.gz SKVILRLOFOPQJT-ZDUSSCGKSA-N 1 0 361.442 2.858 20 5 FFBDRO COC[C@](C)(CCO)[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000530697853 517927336 /nfs/dbraw/zinc/92/73/36/517927336.db2.gz RQKMMKSSVBFCEV-SFHVURJKSA-N 1 0 364.398 2.741 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000557346034 517969226 /nfs/dbraw/zinc/96/92/26/517969226.db2.gz DQVLGKMOSOCMFY-HUUCEWRRSA-N 1 0 367.471 2.507 20 5 FFBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000534643362 517978867 /nfs/dbraw/zinc/97/88/67/517978867.db2.gz SQGPAHNXQQTFEQ-XHSDSOJGSA-N 1 0 362.474 2.803 20 5 FFBDRO C[C@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1)c1ccccc1[N+](=O)[O-] ZINC000539328180 517996561 /nfs/dbraw/zinc/99/65/61/517996561.db2.gz RZMCJHGPWIAHHP-ZDUSSCGKSA-N 1 0 363.439 2.696 20 5 FFBDRO C[C@@H](CNc1cccc(C(N)=O)c1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000557522299 518051580 /nfs/dbraw/zinc/05/15/80/518051580.db2.gz ZMSUSJCIZSQDMV-ZDUSSCGKSA-N 1 0 354.410 2.552 20 5 FFBDRO C[C@@H](CCNC(=O)NCCNc1ccc([N+](=O)[O-])cc1)[NH+]1CCCCC1 ZINC000543378672 518058612 /nfs/dbraw/zinc/05/86/12/518058612.db2.gz CNVREXMUBGONDN-HNNXBMFYSA-N 1 0 363.462 2.570 20 5 FFBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000522277914 518062780 /nfs/dbraw/zinc/06/27/80/518062780.db2.gz XJBQONCRSBIBJK-UHFFFAOYSA-N 1 0 370.453 2.714 20 5 FFBDRO CC[N@H+](C)C[C@H]1CCN(c2ncc([N+](=O)[O-])c(C)c2Br)C1 ZINC000543437605 518091005 /nfs/dbraw/zinc/09/10/05/518091005.db2.gz YKBROTMTAFITJC-LLVKDONJSA-N 1 0 357.252 2.839 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000522386958 518094715 /nfs/dbraw/zinc/09/47/15/518094715.db2.gz QKRGINYGRBIKTN-QWHCGFSZSA-N 1 0 369.849 2.816 20 5 FFBDRO CS[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC(C)C)C[C@@H]1[NH+](C)C ZINC000534951802 518095213 /nfs/dbraw/zinc/09/52/13/518095213.db2.gz MPTAHRLKGTYITP-DOTOQJQBSA-N 1 0 353.488 2.859 20 5 FFBDRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000531057926 518119744 /nfs/dbraw/zinc/11/97/44/518119744.db2.gz MBHXRYKTFQBBHJ-CQSZACIVSA-N 1 0 356.426 2.880 20 5 FFBDRO C[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1Oc2ccccc2[C@@H]1C ZINC000543544067 518132423 /nfs/dbraw/zinc/13/24/23/518132423.db2.gz MCWZSAAADJZOHD-KZDUYQQSSA-N 1 0 372.421 2.877 20 5 FFBDRO CC[NH+](CC)CCOCCNC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000543609128 518151441 /nfs/dbraw/zinc/15/14/41/518151441.db2.gz LTHMDJMNNOMCRB-UHFFFAOYSA-N 1 0 351.447 2.608 20 5 FFBDRO CCc1nn(C)c(NCc2ccc(OCC[NH+]3CCCC3)cc2)c1[N+](=O)[O-] ZINC000539858236 518172790 /nfs/dbraw/zinc/17/27/90/518172790.db2.gz YQIARDGMTNUKSM-UHFFFAOYSA-N 1 0 373.457 2.977 20 5 FFBDRO CC(C)Cc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])n[nH]2)[NH+](C)C)cc1 ZINC000564030460 518274372 /nfs/dbraw/zinc/27/43/72/518274372.db2.gz YXAYBCLKSDHEIC-INIZCTEOSA-N 1 0 359.430 2.549 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1[C@H]2CCc3ccccc3[C@@H]12 ZINC000575861722 518315311 /nfs/dbraw/zinc/31/53/11/518315311.db2.gz GTAYSZKGRFBOHX-HIBPSGHXSA-N 1 0 354.406 2.653 20 5 FFBDRO O=[N+]([O-])c1cnc(N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c(Br)c1 ZINC000575902770 518336927 /nfs/dbraw/zinc/33/69/27/518336927.db2.gz ZYCSXBFBOVAQEF-GHMZBOCLSA-N 1 0 355.236 2.578 20 5 FFBDRO C[C@H](C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)Oc1ccccc1F ZINC000575917391 518340949 /nfs/dbraw/zinc/34/09/49/518340949.db2.gz XGBTYMVVLOIEDL-HIFRSBDPSA-N 1 0 364.373 2.531 20 5 FFBDRO CCN1CCC([NH+]2CCC(C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000581675624 518402859 /nfs/dbraw/zinc/40/28/59/518402859.db2.gz YXGIMXBYIUDYIN-UHFFFAOYSA-N 1 0 360.458 2.730 20 5 FFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)NCCC[C@H]1CCC[NH2+]1 ZINC000570037265 518411406 /nfs/dbraw/zinc/41/14/06/518411406.db2.gz POQVNYCITLGQCQ-GFCCVEGCSA-N 1 0 370.247 2.548 20 5 FFBDRO O=C(CC[NH2+]C[C@]1(CO)C[C@@H]1c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000581726268 518427473 /nfs/dbraw/zinc/42/74/73/518427473.db2.gz GAZGPVOXJRIPDG-UZLBHIALSA-N 1 0 369.421 2.679 20 5 FFBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000567252595 518432000 /nfs/dbraw/zinc/43/20/00/518432000.db2.gz JQPWNGITUYXWJI-AWEZNQCLSA-N 1 0 359.348 2.622 20 5 FFBDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000581856114 518469306 /nfs/dbraw/zinc/46/93/06/518469306.db2.gz CLKQURZDWUIURX-RYUDHWBXSA-N 1 0 357.838 2.860 20 5 FFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)cc1 ZINC000576194426 518473118 /nfs/dbraw/zinc/47/31/18/518473118.db2.gz CLOZVSFDNAZLSQ-AZUAARDMSA-N 1 0 355.438 2.567 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CC1(c2cccc(F)c2)CC1 ZINC000570201925 518492460 /nfs/dbraw/zinc/49/24/60/518492460.db2.gz NMUHKIQNYZAMIE-INIZCTEOSA-N 1 0 360.385 2.795 20 5 FFBDRO CCC[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000584869448 518516244 /nfs/dbraw/zinc/51/62/44/518516244.db2.gz HVSACGIIUOEUJR-USXIJHARSA-N 1 0 361.442 2.719 20 5 FFBDRO C[C@@H](C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])Oc1ccccc1F ZINC000579103339 518523217 /nfs/dbraw/zinc/52/32/17/518523217.db2.gz JBIKHJPELRSFRY-KBPBESRZSA-N 1 0 364.373 2.531 20 5 FFBDRO Cc1ccc([C@@H](C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])N(C)C)cc1 ZINC000579111165 518526779 /nfs/dbraw/zinc/52/67/79/518526779.db2.gz VGLGRIOTDIYSBP-PKOBYXMFSA-N 1 0 373.453 2.535 20 5 FFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)cc1 ZINC000576339441 518544743 /nfs/dbraw/zinc/54/47/43/518544743.db2.gz OVOHSBHBQSPINI-OTWHNJEPSA-N 1 0 372.446 2.544 20 5 FFBDRO CNC(=O)COc1cccc(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000582019118 518549325 /nfs/dbraw/zinc/54/93/25/518549325.db2.gz ZOPNPZQHBXLZEF-IBGZPJMESA-N 1 0 369.421 2.887 20 5 FFBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCCCC[C@@H]1CCO ZINC000585754836 518585735 /nfs/dbraw/zinc/58/57/35/518585735.db2.gz FESQZTSUBZNIBH-CQSZACIVSA-N 1 0 363.414 2.520 20 5 FFBDRO [NH3+]Cc1ccc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000579241642 518589366 /nfs/dbraw/zinc/58/93/66/518589366.db2.gz ZSUHOYMEPLAYON-UHFFFAOYSA-N 1 0 354.410 2.909 20 5 FFBDRO CN1CCO[C@H]2CC[N@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C[C@@H]21 ZINC000585767605 518590199 /nfs/dbraw/zinc/59/01/99/518590199.db2.gz LSACHTBDMXOVIG-HKUYNNGSSA-N 1 0 357.410 2.760 20 5 FFBDRO C[N@@H+]1CC[C@H]2OCCN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)[C@@H]2C1 ZINC000585783656 518595441 /nfs/dbraw/zinc/59/54/41/518595441.db2.gz ZLUVLQCGSKGCCF-IAGOWNOFSA-N 1 0 354.410 2.566 20 5 FFBDRO C[N@H+](Cc1ccccc1)C1CN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])C1 ZINC000582139251 518605868 /nfs/dbraw/zinc/60/58/68/518605868.db2.gz BAXPHMVZCHPHST-UHFFFAOYSA-N 1 0 365.393 2.564 20 5 FFBDRO CC(C)Oc1nc(NC[C@@H](c2ccsc2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000567627319 518622130 /nfs/dbraw/zinc/62/21/30/518622130.db2.gz MNIWDMKRSPWRSV-AWEZNQCLSA-N 1 0 350.444 2.975 20 5 FFBDRO CCC[N@H+](CC)C[C@@H](C)NS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000570488316 518630471 /nfs/dbraw/zinc/63/04/71/518630471.db2.gz WAMDESFGADQQNW-CQSZACIVSA-N 1 0 357.476 2.610 20 5 FFBDRO CNc1ccc(C(=O)Nc2nc(C3CC[NH2+]CC3)cs2)cc1[N+](=O)[O-] ZINC000567657616 518635697 /nfs/dbraw/zinc/63/56/97/518635697.db2.gz AGQRIXHFAPMOGO-UHFFFAOYSA-N 1 0 361.427 2.812 20 5 FFBDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000576636554 518687321 /nfs/dbraw/zinc/68/73/21/518687321.db2.gz BPDUHDLLANQLHL-INIZCTEOSA-N 1 0 362.474 2.643 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H]2CCCC[N@@H+]2CC(C)C)n1 ZINC000567771604 518702072 /nfs/dbraw/zinc/70/20/72/518702072.db2.gz HKUVSFZTXLRTPI-ZDUSSCGKSA-N 1 0 350.419 2.699 20 5 FFBDRO C[C@@H](NC(=O)N1CCc2ccccc2[C@@H]1C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000564935546 518702722 /nfs/dbraw/zinc/70/27/22/518702722.db2.gz DMYGHDLRQQHIQZ-ACJLOTCBSA-N 1 0 354.410 2.924 20 5 FFBDRO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000588023658 518704864 /nfs/dbraw/zinc/70/48/64/518704864.db2.gz UCTYLORSMAGPHS-IBGZPJMESA-N 1 0 359.401 2.807 20 5 FFBDRO CSc1ccc(OC[C@@H](O)C[NH2+]CCc2ccccc2[N+](=O)[O-])cc1 ZINC000573557129 518725525 /nfs/dbraw/zinc/72/55/25/518725525.db2.gz SBFJVJYDNAKEOU-HNNXBMFYSA-N 1 0 362.451 2.889 20 5 FFBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000573639200 518761924 /nfs/dbraw/zinc/76/19/24/518761924.db2.gz XZHQKROWHHWYDY-UHFFFAOYSA-N 1 0 361.421 2.971 20 5 FFBDRO Cc1c(NC(=O)[C@H](C)N2CCC([C@H]3CC[NH2+]C3)CC2)cccc1[N+](=O)[O-] ZINC000567899815 518775391 /nfs/dbraw/zinc/77/53/91/518775391.db2.gz XZTUVTZILCPDDS-HOCLYGCPSA-N 1 0 360.458 2.552 20 5 FFBDRO CSCC1CCC([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000570794680 518782997 /nfs/dbraw/zinc/78/29/97/518782997.db2.gz DKINIKPLMIHCMB-XUJLQICISA-N 1 0 354.472 2.846 20 5 FFBDRO CCC[N@H+](CC)C[C@H](C)NS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000570889367 518826646 /nfs/dbraw/zinc/82/66/46/518826646.db2.gz WAMDESFGADQQNW-AWEZNQCLSA-N 1 0 357.476 2.610 20 5 FFBDRO COC1CCC(CC[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000576936203 518834745 /nfs/dbraw/zinc/83/47/45/518834745.db2.gz DWCSQXDILRASKF-UHFFFAOYSA-N 1 0 370.471 2.553 20 5 FFBDRO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)CC2 ZINC000579794218 518853351 /nfs/dbraw/zinc/85/33/51/518853351.db2.gz SSYCILFHDQILNW-KFWWJZLASA-N 1 0 373.461 2.595 20 5 FFBDRO C[C@H](C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000577042851 518888138 /nfs/dbraw/zinc/88/81/38/518888138.db2.gz CFGMNKFZYJHLBF-HNAYVOBHSA-N 1 0 355.438 2.987 20 5 FFBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2[C@H](C)C[NH+](CC)C[C@H]2C)cc1OC ZINC000588997450 518891408 /nfs/dbraw/zinc/89/14/08/518891408.db2.gz YGVCVOQKATTYGA-CHWSQXEVSA-N 1 0 365.430 2.557 20 5 FFBDRO C[C@@](CO)(C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000579958394 518939762 /nfs/dbraw/zinc/93/97/62/518939762.db2.gz BXBSNYYDPPIFRN-FQEVSTJZSA-N 1 0 371.437 2.754 20 5 FFBDRO Cc1ccc(OCC[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])c(C)c1 ZINC000574074015 518975514 /nfs/dbraw/zinc/97/55/14/518975514.db2.gz FSONQGZTCWMNBJ-MRXNPFEDSA-N 1 0 360.410 2.620 20 5 FFBDRO Cc1cc(N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)c(F)cc1[N+](=O)[O-] ZINC000589687925 519064472 /nfs/dbraw/zinc/06/44/72/519064472.db2.gz RPIYNPNLXPOFRY-OAHLLOKOSA-N 1 0 350.438 2.647 20 5 FFBDRO O=[N+]([O-])c1cccc2c1ccnc2N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000574289849 519083622 /nfs/dbraw/zinc/08/36/22/519083622.db2.gz AYMHHHSKDDBAKX-HNNXBMFYSA-N 1 0 356.426 2.834 20 5 FFBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](c3cccnc3)C2)c([N+](=O)[O-])c1 ZINC000583141160 519097451 /nfs/dbraw/zinc/09/74/51/519097451.db2.gz ZMHBITYFKFGQEZ-OAHLLOKOSA-N 1 0 370.409 2.817 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@H]2CC[C@](O)(C(F)(F)F)C2)n1 ZINC000589950210 519111427 /nfs/dbraw/zinc/11/14/27/519111427.db2.gz ZSEMTVBNXGEDGF-CIQGVGRVSA-N 1 0 362.352 2.711 20 5 FFBDRO CC(C)N(CC[NH+]1CCCCCC1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000574354438 519114548 /nfs/dbraw/zinc/11/45/48/519114548.db2.gz UPEBUTUEJMCCRS-UHFFFAOYSA-N 1 0 369.487 2.870 20 5 FFBDRO CNc1ccc(C(=O)N[C@@H](C[NH+](C)C)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000568682801 519162301 /nfs/dbraw/zinc/16/23/01/519162301.db2.gz CIWSHOUWSNXORM-INIZCTEOSA-N 1 0 360.389 2.808 20 5 FFBDRO CC[N@H+](CCNc1cc(CN2CCOCC2)ccc1[N+](=O)[O-])C(C)C ZINC000565865066 519167775 /nfs/dbraw/zinc/16/77/75/519167775.db2.gz HTEMRUKYCVJBJQ-UHFFFAOYSA-N 1 0 350.463 2.569 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CCc2cccc3cccnc32)c1 ZINC000571634281 519193862 /nfs/dbraw/zinc/19/38/62/519193862.db2.gz MGBOKJFEKLRZJZ-SFHVURJKSA-N 1 0 367.405 2.715 20 5 FFBDRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000590404136 519218332 /nfs/dbraw/zinc/21/83/32/519218332.db2.gz UTVVJKSDZXOHBI-HLLBOEOZSA-N 1 0 374.485 2.996 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@H](n2cc(Cl)cn2)C1 ZINC000571690772 519223210 /nfs/dbraw/zinc/22/32/10/519223210.db2.gz LXGCTGOENGEFFE-ZDUSSCGKSA-N 1 0 363.805 2.639 20 5 FFBDRO [NH3+][C@H]1CCc2ncc(NC(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)cc2C1 ZINC000566004673 519241626 /nfs/dbraw/zinc/24/16/26/519241626.db2.gz UEMZELHPPPIKDU-ZDUSSCGKSA-N 1 0 367.409 2.632 20 5 FFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000566004658 519243046 /nfs/dbraw/zinc/24/30/46/519243046.db2.gz RHKDXJZSRJYBEX-QGZVFWFLSA-N 1 0 359.813 2.794 20 5 FFBDRO C[C@H]1COCC[N@@H+]1C1CCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000590554535 519264784 /nfs/dbraw/zinc/26/47/84/519264784.db2.gz DIVUWCUSCLGKCP-LBPRGKRZSA-N 1 0 367.833 2.574 20 5 FFBDRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000590567160 519269155 /nfs/dbraw/zinc/26/91/55/519269155.db2.gz YQUORVRUPDSOIY-XHDPSFHLSA-N 1 0 360.439 2.883 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](c2ccncc2)C1 ZINC000577884382 519305834 /nfs/dbraw/zinc/30/58/34/519305834.db2.gz KUAKRITWHUVUJO-HNNXBMFYSA-N 1 0 370.409 2.817 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2ccc(OC3CCCCC3)cc2)c1 ZINC000574749843 519312895 /nfs/dbraw/zinc/31/28/95/519312895.db2.gz CFDJJQJYILPTGH-KRWDZBQOSA-N 1 0 374.441 2.654 20 5 FFBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]C[C@H](O)Cc3ccc(F)cc3)c2c1 ZINC000566128994 519319662 /nfs/dbraw/zinc/31/96/62/519319662.db2.gz RWGVEWMINSYOPM-QGZVFWFLSA-N 1 0 357.385 2.951 20 5 FFBDRO COc1cccc2c1C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC2 ZINC000590759638 519354439 /nfs/dbraw/zinc/35/44/39/519354439.db2.gz CEPOEAAKLSUARP-UHFFFAOYSA-N 1 0 355.394 2.990 20 5 FFBDRO CSc1ccc(CC[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000580829572 519381788 /nfs/dbraw/zinc/38/17/88/519381788.db2.gz QTGXPXHNCWHJCJ-INIZCTEOSA-N 1 0 362.451 2.889 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)c1C ZINC000578056174 519394239 /nfs/dbraw/zinc/39/42/39/519394239.db2.gz YLXZHLLBPSMSSK-LSDHHAIUSA-N 1 0 367.471 2.507 20 5 FFBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000572008232 519394840 /nfs/dbraw/zinc/39/48/40/519394840.db2.gz BYFZQXDNRXVCGM-LBPRGKRZSA-N 1 0 370.247 2.962 20 5 FFBDRO CC[C@@H]1C[C@H](C[NH+]2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)CCO1 ZINC000572066663 519425567 /nfs/dbraw/zinc/42/55/67/519425567.db2.gz JJXDRXCDDYWVAJ-HZPDHXFCSA-N 1 0 361.442 2.558 20 5 FFBDRO [NH3+]CC12CCC(CC1)CN2C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000566406206 519474325 /nfs/dbraw/zinc/47/43/25/519474325.db2.gz MJAIKVNOKWBOPJ-UHFFFAOYSA-N 1 0 358.442 2.539 20 5 FFBDRO CCc1ccc([C@H]2C[NH2+]CCN2C(=O)c2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000569331602 519497181 /nfs/dbraw/zinc/49/71/81/519497181.db2.gz ABQLPCMIVJAVBH-GOSISDBHSA-N 1 0 369.421 2.953 20 5 FFBDRO CC[NH+](CC)CCO[C@H]1CCN(c2nc3c(cc2[N+](=O)[O-])CCCC3)C1 ZINC000581069340 519508625 /nfs/dbraw/zinc/50/86/25/519508625.db2.gz PYYUPQCJDWDBHU-INIZCTEOSA-N 1 0 362.474 2.806 20 5 FFBDRO COc1ccccc1[C@]1(C)C[C@@H]1[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000581126780 519537434 /nfs/dbraw/zinc/53/74/34/519537434.db2.gz DDIVRBWQBCIOTB-XPGWFJOJSA-N 1 0 372.421 2.663 20 5 FFBDRO CCOc1cc(NC(=O)N[C@H]2CCC[NH2+]CC2)c([N+](=O)[O-])cc1OCC ZINC000591274082 519567953 /nfs/dbraw/zinc/56/79/53/519567953.db2.gz GMPFHUZZCXWTSB-LBPRGKRZSA-N 1 0 366.418 2.656 20 5 FFBDRO Cc1cccc(C)c1OCC[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000578435568 519590788 /nfs/dbraw/zinc/59/07/88/519590788.db2.gz HPXCOSMAEMMMBT-QGZVFWFLSA-N 1 0 360.410 2.620 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H]1CCOc2c(F)cccc21 ZINC000566674400 519605397 /nfs/dbraw/zinc/60/53/97/519605397.db2.gz NHIZCPIZKGLMGW-DOMZBBRYSA-N 1 0 362.357 2.587 20 5 FFBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC(C)([NH+]2CCCC2)CC1 ZINC000602948572 519988943 /nfs/dbraw/zinc/98/89/43/519988943.db2.gz AMSKICOQPZYZBH-HNNXBMFYSA-N 1 0 360.458 2.872 20 5 FFBDRO Cc1cc(S(=O)(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c(C)cc1[N+](=O)[O-] ZINC000594483695 519992492 /nfs/dbraw/zinc/99/24/92/519992492.db2.gz NZNCHLLGFQMLII-CABCVRRESA-N 1 0 367.471 2.507 20 5 FFBDRO Cc1csc(Sc2ccc(C(=O)N(C)CCC[NH3+])cc2[N+](=O)[O-])n1 ZINC000591679032 519995137 /nfs/dbraw/zinc/99/51/37/519995137.db2.gz NYFYDXHDUDGYAL-UHFFFAOYSA-N 1 0 366.468 2.932 20 5 FFBDRO CSc1ccc(C(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)cc1[N+](=O)[O-] ZINC000591681373 519995848 /nfs/dbraw/zinc/99/58/48/519995848.db2.gz METTWCKBMCYHOH-GFCCVEGCSA-N 1 0 358.423 2.780 20 5 FFBDRO C[C@H](C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)C(=O)OC(C)(C)C ZINC000594508348 520006377 /nfs/dbraw/zinc/00/63/77/520006377.db2.gz BKECCGUTZRFYEJ-HZSPNIEDSA-N 1 0 352.435 2.842 20 5 FFBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000600029495 520007714 /nfs/dbraw/zinc/00/77/14/520007714.db2.gz KRDUGGCFBINVAA-JTQLQIEISA-N 1 0 356.220 2.524 20 5 FFBDRO Cn1nnc2c1CC[C@H]([NH2+]Cc1ccc(-c3cccc([N+](=O)[O-])c3)o1)C2 ZINC000594514640 520010505 /nfs/dbraw/zinc/01/05/05/520010505.db2.gz KMWLKUJVTZYOHN-ZDUSSCGKSA-N 1 0 353.382 2.630 20 5 FFBDRO COc1cccc2c1OC[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000591733856 520016621 /nfs/dbraw/zinc/01/66/21/520016621.db2.gz VVUBNOFQDRGOOI-AWEZNQCLSA-N 1 0 371.393 2.525 20 5 FFBDRO CC(=O)c1cccc(OC[C@H](O)C[NH2+]Cc2cccc([N+](=O)[O-])c2C)c1 ZINC000591763439 520028541 /nfs/dbraw/zinc/02/85/41/520028541.db2.gz COKYVJPQAABRAE-QGZVFWFLSA-N 1 0 358.394 2.635 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCCc2c(Cl)cccc2Cl)c1 ZINC000594574693 520034776 /nfs/dbraw/zinc/03/47/76/520034776.db2.gz HMVHGQDFACJCBE-LBPRGKRZSA-N 1 0 373.240 2.681 20 5 FFBDRO CCCN(C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CC[N@H+](C)C1 ZINC000592004878 520129753 /nfs/dbraw/zinc/12/97/53/520129753.db2.gz CAEAIWYSMICAEO-HNNXBMFYSA-N 1 0 368.865 2.916 20 5 FFBDRO COc1ccc(CC(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)cc1[N+](=O)[O-] ZINC000600229424 520141046 /nfs/dbraw/zinc/14/10/46/520141046.db2.gz SEPYCHRYFRJCBM-MRXNPFEDSA-N 1 0 361.442 2.669 20 5 FFBDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000608854650 520145714 /nfs/dbraw/zinc/14/57/14/520145714.db2.gz WDENLVFYQLHPSD-LBPRGKRZSA-N 1 0 363.414 2.564 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000594854663 520190891 /nfs/dbraw/zinc/19/08/91/520190891.db2.gz VEACCJWGDYKADT-AWEZNQCLSA-N 1 0 367.471 2.589 20 5 FFBDRO C[N@@H+]1CCCC[C@H](CNC(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000600313174 520199082 /nfs/dbraw/zinc/19/90/82/520199082.db2.gz IIQCBUPARITMRQ-LLVKDONJSA-N 1 0 370.247 2.819 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCC[N@H+](C)C2)cc1SC ZINC000600314790 520201211 /nfs/dbraw/zinc/20/12/11/520201211.db2.gz POZFCMHXWNOVFZ-GFCCVEGCSA-N 1 0 367.471 2.787 20 5 FFBDRO C[C@@]1(Cc2ccccc2F)CCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000592143986 520221606 /nfs/dbraw/zinc/22/16/06/520221606.db2.gz WJGGJAHANKUNMU-IBGZPJMESA-N 1 0 359.401 2.993 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000595003779 520252441 /nfs/dbraw/zinc/25/24/41/520252441.db2.gz JZUDNWCXPKGJLX-GOEBONIOSA-N 1 0 351.447 2.611 20 5 FFBDRO O=[N+]([O-])c1cnc2ccccc2c1NC1CC[NH+](C2CCOCC2)CC1 ZINC000603409435 520253017 /nfs/dbraw/zinc/25/30/17/520253017.db2.gz XMVVGAPPNDHOOX-UHFFFAOYSA-N 1 0 356.426 2.620 20 5 FFBDRO CNC(=O)c1cccc(CC[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)c1 ZINC000595009853 520255405 /nfs/dbraw/zinc/25/54/05/520255405.db2.gz TXQDAOXQGQUTRS-ZDUSSCGKSA-N 1 0 357.410 2.856 20 5 FFBDRO O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000600469256 520279706 /nfs/dbraw/zinc/27/97/06/520279706.db2.gz IOCBOUOOXLWJTK-INIZCTEOSA-N 1 0 369.425 2.732 20 5 FFBDRO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000609348060 520289431 /nfs/dbraw/zinc/28/94/31/520289431.db2.gz KWPNXVSOTWPDJH-QGZVFWFLSA-N 1 0 372.469 2.895 20 5 FFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCN1C[C@H]2CCCCN2C1=O ZINC000595099271 520292956 /nfs/dbraw/zinc/29/29/56/520292956.db2.gz GLSOFESTGROJRW-DOTOQJQBSA-N 1 0 360.458 2.796 20 5 FFBDRO NC(=O)CC1(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCCCC1 ZINC000595099901 520293154 /nfs/dbraw/zinc/29/31/54/520293154.db2.gz QBVYVLVWLHVVAN-LSDHHAIUSA-N 1 0 363.462 2.691 20 5 FFBDRO O=C1N(CC[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C[C@H]2CCCCN12 ZINC000595098066 520293595 /nfs/dbraw/zinc/29/35/95/520293595.db2.gz BQAFTXVDHUWFDR-MSOLQXFVSA-N 1 0 372.469 2.796 20 5 FFBDRO COc1cc(C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc([N+](=O)[O-])c1C ZINC000592255998 520294505 /nfs/dbraw/zinc/29/45/05/520294505.db2.gz VRNYEQHILDRVBC-LSDHHAIUSA-N 1 0 361.442 2.764 20 5 FFBDRO Cn1cnc([N+](=O)[O-])c1NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000609417342 520307081 /nfs/dbraw/zinc/30/70/81/520307081.db2.gz ZCPUUCHNHWHGOY-UHFFFAOYSA-N 1 0 351.451 2.554 20 5 FFBDRO Cn1cc(C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000597925370 520326052 /nfs/dbraw/zinc/32/60/52/520326052.db2.gz NWKDXRSSBIXABB-AWEZNQCLSA-N 1 0 371.441 2.598 20 5 FFBDRO CC[NH+](CC)[C@H](CNC(=O)c1cc([N+](=O)[O-])cn1C)Cc1ccccc1 ZINC000603635636 520334618 /nfs/dbraw/zinc/33/46/18/520334618.db2.gz WXCKNHROWAJXEZ-INIZCTEOSA-N 1 0 358.442 2.616 20 5 FFBDRO CC(C)(C)OC(=O)C1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000592373980 520356021 /nfs/dbraw/zinc/35/60/21/520356021.db2.gz FVPRHKDOSSLGEO-UHFFFAOYSA-N 1 0 350.415 2.823 20 5 FFBDRO COC[C@@](C)(O)C[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000609564498 520358788 /nfs/dbraw/zinc/35/87/88/520358788.db2.gz BYEZYWUZOONIPL-IBGZPJMESA-N 1 0 359.426 2.850 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(CCC[NH3+])CC2CCCC2)c1C ZINC000592388758 520363820 /nfs/dbraw/zinc/36/38/20/520363820.db2.gz MUGDQJXNCJDIRA-UHFFFAOYSA-N 1 0 369.487 2.741 20 5 FFBDRO O=C(NCCc1ccccc1[N+](=O)[O-])Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000595234508 520365191 /nfs/dbraw/zinc/36/51/91/520365191.db2.gz JSAXVCDQGXHREI-GOSISDBHSA-N 1 0 370.409 2.620 20 5 FFBDRO Cc1c(Br)cc(C(=O)NCC[C@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000597992013 520366207 /nfs/dbraw/zinc/36/62/07/520366207.db2.gz IJQSHUZSLLBDOP-VIFPVBQESA-N 1 0 358.236 2.736 20 5 FFBDRO CN1CC[N@H+](CCCNc2cccnc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000603849987 520376471 /nfs/dbraw/zinc/37/64/71/520376471.db2.gz QBMIFMBGXABQEE-SFHVURJKSA-N 1 0 355.442 2.781 20 5 FFBDRO COc1cc(CN(C2CC2)C2CC[NH2+]CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000592471374 520402582 /nfs/dbraw/zinc/40/25/82/520402582.db2.gz ZLKJNGGWWOOYAC-UHFFFAOYSA-N 1 0 371.384 2.921 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2noc(CN3CCC[C@H]([C@H]4CCC[NH2+]4)C3)n2)c1 ZINC000592478692 520407609 /nfs/dbraw/zinc/40/76/09/520407609.db2.gz IGEFJCQRQNEVED-GOEBONIOSA-N 1 0 357.414 2.609 20 5 FFBDRO Cc1c(NC(=O)[C@H](C)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cccc1[N+](=O)[O-] ZINC000592479179 520407646 /nfs/dbraw/zinc/40/76/46/520407646.db2.gz UELHPKXRGZVSIC-ZMSDIMECSA-N 1 0 360.458 2.694 20 5 FFBDRO CC[C@H]1CN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000592544277 520451432 /nfs/dbraw/zinc/45/14/32/520451432.db2.gz BGOIICUCDDZQPK-WCQYABFASA-N 1 0 355.822 2.603 20 5 FFBDRO Cc1ccc(C(C)(C)C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])nc1 ZINC000600757378 520452465 /nfs/dbraw/zinc/45/24/65/520452465.db2.gz VQXPHNXWMDLOID-HNNXBMFYSA-N 1 0 359.426 2.605 20 5 FFBDRO O=C(N[C@H]1CC[NH2+]C12CCCC2)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000592570022 520457682 /nfs/dbraw/zinc/45/76/82/520457682.db2.gz JMMKCHNDWDAKFK-KRWDZBQOSA-N 1 0 358.442 2.600 20 5 FFBDRO COC(=O)c1ccc(-c2ccc(C[NH2+]CCN(C)C)cc2)c([N+](=O)[O-])c1 ZINC000600786724 520469104 /nfs/dbraw/zinc/46/91/04/520469104.db2.gz RNRYPNDQQSRPRF-UHFFFAOYSA-N 1 0 357.410 2.700 20 5 FFBDRO C[C@H](c1ccccc1)[C@@H](CO)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000613389753 520478994 /nfs/dbraw/zinc/47/89/94/520478994.db2.gz PPTKJBUALVGLHM-RDTXWAMCSA-N 1 0 357.410 2.678 20 5 FFBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N[C@@H]3CCC[N@H+](C)C3)cc2[N+](=O)[O-])C1 ZINC000604198967 520483997 /nfs/dbraw/zinc/48/39/97/520483997.db2.gz NCPBBWDWEGDPGM-HLLBOEOZSA-N 1 0 374.485 2.901 20 5 FFBDRO C[NH2+]C1(CNC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)CCC1 ZINC000600826023 520490764 /nfs/dbraw/zinc/49/07/64/520490764.db2.gz WVAPUWFAENGCTB-GJZGRUSLSA-N 1 0 374.485 2.949 20 5 FFBDRO Nc1cc(NCc2ccccc2C[NH+]2CCCC2)cc(CO)c1[N+](=O)[O-] ZINC000617426731 520492223 /nfs/dbraw/zinc/49/22/23/520492223.db2.gz UJSYSUCEWKNKCB-UHFFFAOYSA-N 1 0 356.426 2.877 20 5 FFBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000595523525 520527501 /nfs/dbraw/zinc/52/75/01/520527501.db2.gz RTOXDOCHIWOZFN-MRXNPFEDSA-N 1 0 360.458 2.844 20 5 FFBDRO COc1cccc(CN2CCN(c3ncccc3[N+](=O)[O-])CC2)c1Cl ZINC000595524260 520528616 /nfs/dbraw/zinc/52/86/16/520528616.db2.gz RQNSXTJBFYWXKC-UHFFFAOYSA-N 1 0 362.817 2.974 20 5 FFBDRO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000610129635 520553013 /nfs/dbraw/zinc/55/30/13/520553013.db2.gz VOVCXNLGXULQHT-RYUDHWBXSA-N 1 0 351.378 2.949 20 5 FFBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])C[C@@H]1C ZINC000610135247 520554126 /nfs/dbraw/zinc/55/41/26/520554126.db2.gz NLQKOJUTGKOLOF-LSDHHAIUSA-N 1 0 369.487 2.705 20 5 FFBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000604432010 520561413 /nfs/dbraw/zinc/56/14/13/520561413.db2.gz UXZGKYIVMXHAID-UHFFFAOYSA-N 1 0 356.426 2.575 20 5 FFBDRO CCC[N@@H+]1CC[C@@H](NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000598341601 520564923 /nfs/dbraw/zinc/56/49/23/520564923.db2.gz DLQOANIIEYDNCN-WCQYABFASA-N 1 0 355.822 2.616 20 5 FFBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000604445592 520565670 /nfs/dbraw/zinc/56/56/70/520565670.db2.gz KOBKAFGMPVOGFV-VNHYZAJKSA-N 1 0 371.441 2.949 20 5 FFBDRO Cc1cc(C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000610180519 520570622 /nfs/dbraw/zinc/57/06/22/520570622.db2.gz RKMRIOJEKJIERZ-UHFFFAOYSA-N 1 0 353.422 2.732 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@@H](C1CC1)C1(CO)CCOCC1 ZINC000595598208 520583316 /nfs/dbraw/zinc/58/33/16/520583316.db2.gz ZCHPCIILHHBNTK-INIZCTEOSA-N 1 0 354.834 2.906 20 5 FFBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CC[C@@H](Cn3ccnn3)C2)c1 ZINC000595608733 520590802 /nfs/dbraw/zinc/59/08/02/520590802.db2.gz UWVVUKUDSXVREF-LLVKDONJSA-N 1 0 355.320 2.727 20 5 FFBDRO CCCN(C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CC[N@H+](C)C1 ZINC000592828294 520604848 /nfs/dbraw/zinc/60/48/48/520604848.db2.gz FTKGOMYYCHYDCN-AWEZNQCLSA-N 1 0 369.849 2.960 20 5 FFBDRO CC(C)[NH2+][C@H]1CCCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000604561550 520606195 /nfs/dbraw/zinc/60/61/95/520606195.db2.gz FSGSMKFINNTIMV-KRWDZBQOSA-N 1 0 374.485 2.800 20 5 FFBDRO CC(C)[NH2+][C@@H]1CCCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000604561551 520606531 /nfs/dbraw/zinc/60/65/31/520606531.db2.gz FSGSMKFINNTIMV-QGZVFWFLSA-N 1 0 374.485 2.800 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000595665958 520633702 /nfs/dbraw/zinc/63/37/02/520633702.db2.gz ZBLOKADGQHDWLD-OAHLLOKOSA-N 1 0 373.457 2.791 20 5 FFBDRO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CCC(C[NH+]2CCCC2)CC1 ZINC000601104879 520638292 /nfs/dbraw/zinc/63/82/92/520638292.db2.gz KJGMGWVAUBEJRI-UHFFFAOYSA-N 1 0 361.368 2.659 20 5 FFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](n1cncn1)C(F)(F)F ZINC000601144374 520657236 /nfs/dbraw/zinc/65/72/36/520657236.db2.gz SSSTZLDWAAGRHX-RCGFYWBFSA-N 1 0 355.320 2.983 20 5 FFBDRO COc1cc(C)c(C[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000601150357 520662007 /nfs/dbraw/zinc/66/20/07/520662007.db2.gz WEUAAXRWROYJJC-IBGZPJMESA-N 1 0 360.410 2.918 20 5 FFBDRO Cc1c(CC(=O)NC[C@H]2CC[N@@H+]2Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000598511933 520672859 /nfs/dbraw/zinc/67/28/59/520672859.db2.gz UZDYOAMJWDJUCQ-GOSISDBHSA-N 1 0 353.422 2.836 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H]1CCC[C@H]1Cc1cnn(C)c1 ZINC000595772416 520712832 /nfs/dbraw/zinc/71/28/32/520712832.db2.gz SNXZNQLEWZDMSO-YJBOKZPZSA-N 1 0 371.441 2.576 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H]2CCC[C@H]2Cc2cnn(C)c2)c1 ZINC000595772381 520713440 /nfs/dbraw/zinc/71/34/40/520713440.db2.gz RXUFNRFGTZRKDF-WMLDXEAASA-N 1 0 372.425 2.616 20 5 FFBDRO CC(C)[C@H]1CN(C(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])CC[NH2+]1 ZINC000598575676 520719533 /nfs/dbraw/zinc/71/95/33/520719533.db2.gz VRORNGKIOZUXOP-MRXNPFEDSA-N 1 0 354.410 2.727 20 5 FFBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@@H](n1cncn1)C(F)(F)F)C1CC1 ZINC000601293068 520726806 /nfs/dbraw/zinc/72/68/06/520726806.db2.gz CNKYMHUDSMSNAS-UKRRQHHQSA-N 1 0 369.347 2.901 20 5 FFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](n1cncn1)C(F)(F)F ZINC000601293002 520726981 /nfs/dbraw/zinc/72/69/81/520726981.db2.gz AKPMBZUHYAHHCU-RISCZKNCSA-N 1 0 357.336 2.901 20 5 FFBDRO COC(=O)c1ccnc(NC[C@@H](C)[N@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000598595248 520732725 /nfs/dbraw/zinc/73/27/25/520732725.db2.gz HGYSOLPWSYFZIK-CYBMUJFWSA-N 1 0 358.398 2.709 20 5 FFBDRO COc1cc(C[N@@H+]2CC[C@@H](C)[C@H](CO)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000598645782 520757971 /nfs/dbraw/zinc/75/79/71/520757971.db2.gz IBTUWDKYMAGNCT-YPMHNXCESA-N 1 0 374.384 2.698 20 5 FFBDRO COc1cc(C[N@@H+]2CC[C@H]3COC[C@@H]3C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000595836685 520758432 /nfs/dbraw/zinc/75/84/32/520758432.db2.gz YEEMWFUUHDQLHZ-AAEUAGOBSA-N 1 0 372.368 2.716 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N3C[C@H]4CCC[C@@]4([NH3+])C3)cc2[N+](=O)[O-])CC1 ZINC000598667125 520774427 /nfs/dbraw/zinc/77/44/27/520774427.db2.gz CSBNZTWXXNXROC-OXQOHEQNSA-N 1 0 372.469 2.785 20 5 FFBDRO COc1cc(C[N@@H+]2C[C@H](C)[C@](C)(CO)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000595869492 520778502 /nfs/dbraw/zinc/77/85/02/520778502.db2.gz DLKDUKGQIDYTCR-GTNSWQLSSA-N 1 0 374.384 2.698 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000595900574 520805677 /nfs/dbraw/zinc/80/56/77/520805677.db2.gz HFBSKQZGOTXUTA-INIZCTEOSA-N 1 0 360.458 2.553 20 5 FFBDRO O=[N+]([O-])c1cc(C[N@H+]2C[C@]34COC[C@@]3(C2)CCCC4)c2c(c1)COCO2 ZINC000595905969 520812001 /nfs/dbraw/zinc/81/20/01/520812001.db2.gz YZJPWLAJTYWCCR-KDURUIRLSA-N 1 0 360.410 2.854 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CC3CC2(c2ccccc2)C3)c1 ZINC000595909786 520815203 /nfs/dbraw/zinc/81/52/03/520815203.db2.gz DITIRONEOAJOCU-VDUSKEEQSA-N 1 0 354.406 2.956 20 5 FFBDRO O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000601559609 520841219 /nfs/dbraw/zinc/84/12/19/520841219.db2.gz UZAVXFUKHRLOCZ-ZWNOBZJWSA-N 1 0 357.332 2.828 20 5 FFBDRO O=C(Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1)c1c(F)cccc1[N+](=O)[O-] ZINC000601589347 520853066 /nfs/dbraw/zinc/85/30/66/520853066.db2.gz BIUMZGQQPBHXCG-AWEZNQCLSA-N 1 0 359.357 2.553 20 5 FFBDRO C[NH+]1CCC2(CCN(C(=O)C3(c4ccc([N+](=O)[O-])cc4)CCC3)C2)CC1 ZINC000601597018 520858189 /nfs/dbraw/zinc/85/81/89/520858189.db2.gz YWYCVALMLOLMBI-UHFFFAOYSA-N 1 0 357.454 2.961 20 5 FFBDRO NC(=O)c1cc(NC[C@@H](c2ccco2)[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000596055489 520881711 /nfs/dbraw/zinc/88/17/11/520881711.db2.gz ULSUUZHDYOASBD-INIZCTEOSA-N 1 0 358.398 2.926 20 5 FFBDRO O=[N+]([O-])c1cc2c(cc1CNC[C@H]1CCC[N@H+](CC3CC3)C1)OCCO2 ZINC000596058780 520885527 /nfs/dbraw/zinc/88/55/27/520885527.db2.gz JDHOJLITJQQJEX-OAHLLOKOSA-N 1 0 361.442 2.578 20 5 FFBDRO O=C(CC[NH2+][C@@H]1[C@@H]2Cc3cc(F)ccc3[C@@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000596065757 520889667 /nfs/dbraw/zinc/88/96/67/520889667.db2.gz JYURZZAOAGWRHO-MDASCCDHSA-N 1 0 355.369 2.990 20 5 FFBDRO CC1CC[NH+](C[C@@H]2CCCN(c3ccc([N+](=O)[O-])c(C(N)=O)c3)C2)CC1 ZINC000596098129 520911282 /nfs/dbraw/zinc/91/12/82/520911282.db2.gz NSZFHRFPVMNEKX-HNNXBMFYSA-N 1 0 360.458 2.642 20 5 FFBDRO C[NH2+]C[C@H](C)NCc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000596103110 520914698 /nfs/dbraw/zinc/91/46/98/520914698.db2.gz AGGAYVWMVNDPIO-AWEZNQCLSA-N 1 0 359.426 2.880 20 5 FFBDRO COc1cc(C(=O)N2CCC(C)([NH+]3CCCC3)CC2)c([N+](=O)[O-])cc1F ZINC000601740952 520929346 /nfs/dbraw/zinc/92/93/46/520929346.db2.gz XRRGLOHFUXPQSJ-UHFFFAOYSA-N 1 0 365.405 2.833 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000610995343 520935669 /nfs/dbraw/zinc/93/56/69/520935669.db2.gz VMHXCINQZRTMNV-DOTOQJQBSA-N 1 0 372.469 2.790 20 5 FFBDRO CCc1n[nH]c(C(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)c1[N+](=O)[O-] ZINC000618203292 520935904 /nfs/dbraw/zinc/93/59/04/520935904.db2.gz UIAVDNPPSZCIII-INIZCTEOSA-N 1 0 371.441 2.837 20 5 FFBDRO CN(C(=O)c1c(Br)cccc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000598954214 520941146 /nfs/dbraw/zinc/94/11/46/520941146.db2.gz PNYRJDSJVYVEOH-UHFFFAOYSA-N 1 0 356.220 2.524 20 5 FFBDRO C[NH+]1CCC(n2cc(NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3)cn2)CC1 ZINC000601770362 520942912 /nfs/dbraw/zinc/94/29/12/520942912.db2.gz DNBFNRZLVAAOMW-UHFFFAOYSA-N 1 0 363.805 2.964 20 5 FFBDRO C[C@@H](C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000601779452 520947362 /nfs/dbraw/zinc/94/73/62/520947362.db2.gz RTKRLIAJUBGYRB-CYBMUJFWSA-N 1 0 357.414 2.800 20 5 FFBDRO CC[NH+]1CCC(NC(=O)c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000598978326 520956242 /nfs/dbraw/zinc/95/62/42/520956242.db2.gz MVSWNXMYZUTAKC-UHFFFAOYSA-N 1 0 356.220 2.571 20 5 FFBDRO Nc1ccc(N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)nc1[N+](=O)[O-] ZINC000596230532 520985138 /nfs/dbraw/zinc/98/51/38/520985138.db2.gz BOYQPKGDCWYMKZ-IBGZPJMESA-N 1 0 353.426 2.674 20 5 FFBDRO CCOc1cc(N2CCC(CO)([NH2+]CC(C)C)CC2)ccc1[N+](=O)[O-] ZINC000596252682 520994961 /nfs/dbraw/zinc/99/49/61/520994961.db2.gz IUDIGYOYKUGNSC-UHFFFAOYSA-N 1 0 351.447 2.570 20 5 FFBDRO Cn1c(Sc2ccc3cnccc3c2[N+](=O)[O-])nnc1[C@H]1CCC[NH2+]C1 ZINC000599048458 520999401 /nfs/dbraw/zinc/99/94/01/520999401.db2.gz KAGLKQNRNFNPCO-LBPRGKRZSA-N 1 0 370.438 2.890 20 5 FFBDRO O=[N+]([O-])c1ccc2nc(N3CCC([N@@H+]4CCCOCC4)CC3)ccc2c1 ZINC000596269715 521002498 /nfs/dbraw/zinc/00/24/98/521002498.db2.gz ZETNSJFDBAVAKJ-UHFFFAOYSA-N 1 0 356.426 2.834 20 5 FFBDRO O=[N+]([O-])c1ccc2ccnc(N3CCC([N@@H+]4CCCOCC4)CC3)c2c1 ZINC000596269006 521002639 /nfs/dbraw/zinc/00/26/39/521002639.db2.gz QFUKNYQQRMWXIE-UHFFFAOYSA-N 1 0 356.426 2.834 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@@H](n2cccn2)C(F)(F)F)n1 ZINC000599055567 521002955 /nfs/dbraw/zinc/00/29/55/521002955.db2.gz HVLPGVYBPRXWGI-YNEHKIRRSA-N 1 0 372.351 2.865 20 5 FFBDRO O=[N+]([O-])c1cnc(NCC2CC[NH+](C3CCOCC3)CC2)c(Cl)c1 ZINC000596314769 521022664 /nfs/dbraw/zinc/02/26/64/521022664.db2.gz PQSZHWMFCYTOQQ-UHFFFAOYSA-N 1 0 354.838 2.946 20 5 FFBDRO O=[N+]([O-])c1ccc(OCCC[NH+]2CCN(c3cncc(F)c3)CC2)cc1 ZINC000611177028 521026102 /nfs/dbraw/zinc/02/61/02/521026102.db2.gz ZTUOBLUHBUSRKL-UHFFFAOYSA-N 1 0 360.389 2.720 20 5 FFBDRO Cc1c(NC(=O)CC[N@@H+]2CCO[C@@H](C(F)F)CC2)cccc1[N+](=O)[O-] ZINC000601971052 521049299 /nfs/dbraw/zinc/04/92/99/521049299.db2.gz ANPOJTBVVXRGSK-CQSZACIVSA-N 1 0 357.357 2.588 20 5 FFBDRO CC1(C)C[NH2+]CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000601977872 521053314 /nfs/dbraw/zinc/05/33/14/521053314.db2.gz VEPUWSNPWYKOIT-JTQLQIEISA-N 1 0 370.247 2.865 20 5 FFBDRO CCC1([NH+]2CCOCC2)CCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000599183108 521075722 /nfs/dbraw/zinc/07/57/22/521075722.db2.gz GXVWDAWSSGUPRZ-UHFFFAOYSA-N 1 0 354.838 2.724 20 5 FFBDRO Cn1c2cc(N[C@H]3CC[N@@H+](C4CCCCC4)C3)c([N+](=O)[O-])cc2n(C)c1=O ZINC000596481070 521092276 /nfs/dbraw/zinc/09/22/76/521092276.db2.gz WZDYOSHYNPPNAC-ZDUSSCGKSA-N 1 0 373.457 2.604 20 5 FFBDRO COC(=O)c1cc(C)nc(N[C@@H](C)C[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000596488197 521095608 /nfs/dbraw/zinc/09/56/08/521095608.db2.gz OKEHPJFGXRGBNE-ZDUSSCGKSA-N 1 0 350.419 2.617 20 5 FFBDRO C[S@](=O)c1ccc(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000618571900 521129360 /nfs/dbraw/zinc/12/93/60/521129360.db2.gz NHHSROLLOHXJJM-TWKFVSLJSA-N 1 0 362.455 2.802 20 5 FFBDRO CC[C@@H]([NH2+]CC(=O)NCC(=O)c1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000611403674 521137834 /nfs/dbraw/zinc/13/78/34/521137834.db2.gz WQVPVJBCNGVTBG-CQSZACIVSA-N 1 0 361.423 2.696 20 5 FFBDRO COc1ccc(NC(=O)CC[NH2+][C@@H](C)c2c(C)noc2C)c([N+](=O)[O-])c1 ZINC000611409097 521142209 /nfs/dbraw/zinc/14/22/09/521142209.db2.gz NADBZWRXXVUDSS-JTQLQIEISA-N 1 0 362.386 2.888 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000596624004 521171078 /nfs/dbraw/zinc/17/10/78/521171078.db2.gz CTOSTIZMUGCTGI-UHFFFAOYSA-N 1 0 362.430 2.847 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000596624211 521171850 /nfs/dbraw/zinc/17/18/50/521171850.db2.gz IAGSWQKFXYCDSC-ZDUSSCGKSA-N 1 0 350.419 2.845 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000593757216 521197890 /nfs/dbraw/zinc/19/78/90/521197890.db2.gz AJOZSAIDJCUSDX-JJRVBVJISA-N 1 0 362.430 2.653 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000593763298 521201498 /nfs/dbraw/zinc/20/14/98/521201498.db2.gz JBVIWBKGHGQRAU-GRDNDAEWSA-N 1 0 362.430 2.653 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000611522442 521201598 /nfs/dbraw/zinc/20/15/98/521201598.db2.gz QTVOBPFXMHUMSA-OAHLLOKOSA-N 1 0 358.398 2.708 20 5 FFBDRO COc1cc(N2C[C@@H]([NH+]3CCCC3)[C@@H](SC)C2)c(F)cc1[N+](=O)[O-] ZINC000614978052 521218558 /nfs/dbraw/zinc/21/85/58/521218558.db2.gz VBGXQPUXRRERRB-ZBFHGGJFSA-N 1 0 355.435 2.759 20 5 FFBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N(C)CC[NH+]2CCCCC2)cc1OC ZINC000593882891 521270549 /nfs/dbraw/zinc/27/05/49/521270549.db2.gz KZUSDXSWAUTFHY-UHFFFAOYSA-N 1 0 365.430 2.560 20 5 FFBDRO CC(C)([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1nc2ccccc2s1 ZINC000599533659 521280978 /nfs/dbraw/zinc/28/09/78/521280978.db2.gz RWMHACUQOJWFFM-UHFFFAOYSA-N 1 0 358.423 2.891 20 5 FFBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NCCC3(C[NH3+])CC3)cc2[N+](=O)[O-])C1 ZINC000593915044 521288460 /nfs/dbraw/zinc/28/84/60/521288460.db2.gz USHKUQIZHTYYCB-HUUCEWRRSA-N 1 0 374.485 2.936 20 5 FFBDRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000593918566 521290095 /nfs/dbraw/zinc/29/00/95/521290095.db2.gz GEVAASXTDOKEMY-UKPHBRMFSA-N 1 0 373.409 2.842 20 5 FFBDRO O=[N+]([O-])c1ccc2ncnc(N3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)c2c1 ZINC000611711657 521293713 /nfs/dbraw/zinc/29/37/13/521293713.db2.gz NMSYUIMKLUPZEA-ACJLOTCBSA-N 1 0 353.426 2.991 20 5 FFBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000615193529 521307452 /nfs/dbraw/zinc/30/74/52/521307452.db2.gz COGAITUJQYOPTK-UHFFFAOYSA-N 1 0 351.794 2.567 20 5 FFBDRO C[N@@H+]1C[C@H](C(=O)NCCc2ccccc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000599599363 521323523 /nfs/dbraw/zinc/32/35/23/521323523.db2.gz OJBYEMHOFGKJOW-MSOLQXFVSA-N 1 0 353.422 2.599 20 5 FFBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000599617328 521335031 /nfs/dbraw/zinc/33/50/31/521335031.db2.gz KQSVJFPZVNLJIV-UHFFFAOYSA-N 1 0 356.382 2.741 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000596867963 521343127 /nfs/dbraw/zinc/34/31/27/521343127.db2.gz UPVIVAPRHVZGED-OAHLLOKOSA-N 1 0 362.430 2.586 20 5 FFBDRO COC(=O)[C@](C)(NC[C@H]1CCCC[N@@H+]1C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000599651140 521361131 /nfs/dbraw/zinc/36/11/31/521361131.db2.gz HGTMWXDGPBRPEN-IEBWSBKVSA-N 1 0 363.458 2.836 20 5 FFBDRO CCC(C)(C)[NH+]1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000594054612 521376690 /nfs/dbraw/zinc/37/66/90/521376690.db2.gz IVVXHMATVWBVBG-UHFFFAOYSA-N 1 0 350.419 2.942 20 5 FFBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599664462 521377210 /nfs/dbraw/zinc/37/72/10/521377210.db2.gz NVPYQZDHSCTMJX-SKDRFNHKSA-N 1 0 368.231 2.570 20 5 FFBDRO COc1ccccc1OCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602507362 521384486 /nfs/dbraw/zinc/38/44/86/521384486.db2.gz HECXWYSNPHQNEI-UHFFFAOYSA-N 1 0 372.425 2.636 20 5 FFBDRO CC(C)COC[C@@H](O)C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602524540 521393833 /nfs/dbraw/zinc/39/38/33/521393833.db2.gz LJTFPEZAOIIJDW-ZDUSSCGKSA-N 1 0 350.337 2.737 20 5 FFBDRO COc1cc(C[N@@H+]2CC[C@@H]3CC[C@@H](O)[C@@H]32)c([N+](=O)[O-])cc1OC(F)F ZINC000599680379 521394422 /nfs/dbraw/zinc/39/44/22/521394422.db2.gz BLJVZULEWHBWOX-TURKWSHLSA-N 1 0 358.341 2.550 20 5 FFBDRO [NH3+]C[C@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[C@@H]1C(F)(F)F ZINC000602542105 521402102 /nfs/dbraw/zinc/40/21/02/521402102.db2.gz TUBYKOARRSBODC-KWQFWETISA-N 1 0 365.739 2.848 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(CN2[C@H](C)C[C@@H](C(=O)OC)C[C@@H]2C)c1 ZINC000599692460 521405572 /nfs/dbraw/zinc/40/55/72/521405572.db2.gz SXLSXOPIZBRSGF-DABQJJPHSA-N 1 0 364.398 2.543 20 5 FFBDRO Cc1ccccc1[C@H](CO)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602564279 521413707 /nfs/dbraw/zinc/41/37/07/521413707.db2.gz KOSYPRTXVGBDLG-SFHVURJKSA-N 1 0 356.426 2.590 20 5 FFBDRO COc1ccc(CC(=O)N2CC[C@@H](C[NH3+])c3ccccc32)cc1[N+](=O)[O-] ZINC000602622196 521441709 /nfs/dbraw/zinc/44/17/09/521441709.db2.gz KJPSGAZRXIUYJJ-AWEZNQCLSA-N 1 0 355.394 2.625 20 5 FFBDRO C[S@](=O)C1(C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CCC1 ZINC000602646196 521455242 /nfs/dbraw/zinc/45/52/42/521455242.db2.gz AJDRDFIVHIRSRK-IBGZPJMESA-N 1 0 367.290 2.810 20 5 FFBDRO CC[C@@H]([NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)[C@@H](O)C(F)F ZINC000602679913 521477282 /nfs/dbraw/zinc/47/72/82/521477282.db2.gz SURQNLPUUMPOAT-HTQZYQBOSA-N 1 0 359.192 2.913 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H](C3CC3)[C@@H]3CCCCO3)CC2)cn1 ZINC000602705107 521487625 /nfs/dbraw/zinc/48/76/25/521487625.db2.gz KTRJKTGVOMEYNQ-HKUYNNGSSA-N 1 0 360.458 2.896 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3COc4cc(F)ccc4C3)CC2)cn1 ZINC000602709664 521488476 /nfs/dbraw/zinc/48/84/76/521488476.db2.gz HXFFGKBRNZQNFK-INIZCTEOSA-N 1 0 372.400 2.691 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3COc4cc(F)ccc4C3)CC2)cn1 ZINC000602709667 521489805 /nfs/dbraw/zinc/48/98/05/521489805.db2.gz HXFFGKBRNZQNFK-MRXNPFEDSA-N 1 0 372.400 2.691 20 5 FFBDRO COc1cc(C[NH2+][C@@H]2C[C@@H](C)O[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000602732571 521501845 /nfs/dbraw/zinc/50/18/45/521501845.db2.gz AGDOLEZFDSUGAG-CKYFFXLPSA-N 1 0 360.357 2.903 20 5 FFBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)C[C@H]1C ZINC000597100975 521506157 /nfs/dbraw/zinc/50/61/57/521506157.db2.gz NPBKMRPNJSWBLI-NXEZZACHSA-N 1 0 355.826 2.777 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@](C)(CO)c1cccc(C(F)(F)F)c1 ZINC000602778078 521527759 /nfs/dbraw/zinc/52/77/59/521527759.db2.gz DXRFWIUEOUMKKH-OAHLLOKOSA-N 1 0 372.347 2.616 20 5 FFBDRO Cc1ncc(CNC(=O)CC[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])s1 ZINC000602835492 521560757 /nfs/dbraw/zinc/56/07/57/521560757.db2.gz BUHYBPNFAPDMSL-UHFFFAOYSA-N 1 0 362.455 2.891 20 5 FFBDRO C[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CS1(=O)=O ZINC000597209272 521576682 /nfs/dbraw/zinc/57/66/82/521576682.db2.gz QARDEIRIBKLOSA-JHNDHUHGSA-N 1 0 366.483 2.861 20 5 FFBDRO CN(c1ccccc1)c1ccc(C[N@@H+]2CCC(CO)(CO)C2)cc1[N+](=O)[O-] ZINC000597219491 521581107 /nfs/dbraw/zinc/58/11/07/521581107.db2.gz QVCACJRBSMCROL-UHFFFAOYSA-N 1 0 371.437 2.539 20 5 FFBDRO CCOC(=O)[C@@]1(C)CCC[C@@H]1[NH2+]Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000597241608 521591905 /nfs/dbraw/zinc/59/19/05/521591905.db2.gz UJZDPXKSQFEMID-WMZOPIPTSA-N 1 0 366.414 2.824 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+]C(C)(C)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000616094532 521620837 /nfs/dbraw/zinc/62/08/37/521620837.db2.gz BSYKYNAEABJGTF-UHFFFAOYSA-N 1 0 364.320 2.967 20 5 FFBDRO CCC[N@@H+]1CC[C@H](NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000619895827 521933078 /nfs/dbraw/zinc/93/30/78/521933078.db2.gz NWOGCCRCMHEULR-INIZCTEOSA-N 1 0 363.461 2.755 20 5 FFBDRO C[N@@H+]1CC[C@@H](Nc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000826028462 607967835 /nfs/dbraw/zinc/96/78/35/607967835.db2.gz APOUIAIRWJQIHV-NVXWUHKLSA-N 1 0 365.397 2.632 20 5 FFBDRO C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)[C@@H]1c1ccccc1 ZINC000826028547 607967985 /nfs/dbraw/zinc/96/79/85/607967985.db2.gz CBLQFYPAKILVJE-SJORKVTESA-N 1 0 365.397 2.632 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164722052 720393768 /nfs/dbraw/zinc/39/37/68/720393768.db2.gz BTWYRVZYWUBDOB-SJORKVTESA-N 1 0 353.426 2.855 20 5 FFBDRO Cc1cc([N+](=O)[O-])cnc1N1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@@H]1C ZINC001164853522 720925151 /nfs/dbraw/zinc/92/51/51/720925151.db2.gz BMGVAFYMRLZDMM-AWEZNQCLSA-N 1 0 358.446 2.916 20 5 FFBDRO CSc1nc(Cl)nc(N2CC[NH+](C3CCCC3)CC2)c1[N+](=O)[O-] ZINC001165028155 721857298 /nfs/dbraw/zinc/85/72/98/721857298.db2.gz KDMXHAFBEWCNIM-UHFFFAOYSA-N 1 0 357.867 2.825 20 5 FFBDRO C[NH+](C)[C@H](CNC(=O)c1ccc(N)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000746637799 735500618 /nfs/dbraw/zinc/50/06/18/735500618.db2.gz SQUXSYLNMYRZNT-MRXNPFEDSA-N 1 0 362.817 2.863 20 5 FFBDRO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000746662691 735502480 /nfs/dbraw/zinc/50/24/80/735502480.db2.gz GCTGOXKVZJOOGE-CHWSQXEVSA-N 1 0 369.849 2.611 20 5 FFBDRO Cc1cc(Cl)c(S(=O)(=O)N(CC[NH+](C)C)C(C)C)cc1[N+](=O)[O-] ZINC000123470278 728659043 /nfs/dbraw/zinc/65/90/43/728659043.db2.gz SGEJUQYNEFSDIV-UHFFFAOYSA-N 1 0 363.867 2.517 20 5 FFBDRO CC[NH+](CC)CCCNS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000133865902 728728055 /nfs/dbraw/zinc/72/80/55/728728055.db2.gz WGSMTYQDRMNWFN-UHFFFAOYSA-N 1 0 363.867 2.567 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@@H]2CCC2CCCCC2)c1 ZINC000135297546 728737250 /nfs/dbraw/zinc/73/72/50/728737250.db2.gz GHNBWRONIIIFGP-SJLPKXTDSA-N 1 0 350.463 2.977 20 5 FFBDRO CCC1([NH+]2CCC2)CCN(C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)CC1 ZINC000924381191 738407652 /nfs/dbraw/zinc/40/76/52/738407652.db2.gz QNNRTZCZATZIAM-UHFFFAOYSA-N 1 0 366.849 2.921 20 5 FFBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000752934783 736024215 /nfs/dbraw/zinc/02/42/15/736024215.db2.gz VFAWAGXEWUGKKC-JTQLQIEISA-N 1 0 373.251 2.603 20 5 FFBDRO O=C(C[N@@H+](CCO)C1CCCCC1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000778967205 738425112 /nfs/dbraw/zinc/42/51/12/738425112.db2.gz QCZHJOQWZBXQCB-UHFFFAOYSA-N 1 0 355.822 2.814 20 5 FFBDRO O=[N+]([O-])c1cncc(Br)c1N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000232477839 729552335 /nfs/dbraw/zinc/55/23/35/729552335.db2.gz LDFVUMMTKUTNHV-LBPRGKRZSA-N 1 0 355.236 2.721 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000245423788 729569749 /nfs/dbraw/zinc/56/97/49/729569749.db2.gz JRAVLPFOIBHNAA-WFASDCNBSA-N 1 0 368.865 2.849 20 5 FFBDRO CS[C@@H]1CN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C[C@H]1[NH+](C)C ZINC000779351974 738457675 /nfs/dbraw/zinc/45/76/75/738457675.db2.gz XFJAALOPDCZVBJ-CHWSQXEVSA-N 1 0 358.851 2.758 20 5 FFBDRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)c1cccc([N+](=O)[O-])c1Br ZINC000760822255 736671114 /nfs/dbraw/zinc/67/11/14/736671114.db2.gz VXESFDJJGBHJTI-LLVKDONJSA-N 1 0 368.231 2.571 20 5 FFBDRO COCC(C)(C)[NH+]1CCN(c2cccc(Br)c2[N+](=O)[O-])CC1 ZINC000856767218 730355985 /nfs/dbraw/zinc/35/59/85/730355985.db2.gz JJGYIJNKUHTJLJ-UHFFFAOYSA-N 1 0 372.263 2.904 20 5 FFBDRO CC[N@H+](CCNC(=O)OC(C)(C)C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000859532938 730457927 /nfs/dbraw/zinc/45/79/27/730457927.db2.gz COPICSUQYAXWGT-UHFFFAOYSA-N 1 0 353.419 2.950 20 5 FFBDRO O=[N+]([O-])c1ccc(Cl)cc1CN1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000863573610 730791445 /nfs/dbraw/zinc/79/14/45/730791445.db2.gz BQGCTTHXJFADAA-MRXNPFEDSA-N 1 0 353.850 2.839 20 5 FFBDRO O=C(NCCC[NH2+]C1CCCCC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000864722805 730873594 /nfs/dbraw/zinc/87/35/94/730873594.db2.gz NAGFORPSLUQQRD-UHFFFAOYSA-N 1 0 350.375 2.545 20 5 FFBDRO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CCCC2(CC[NH+](C)CC2)C1 ZINC000865753682 730993809 /nfs/dbraw/zinc/99/38/09/730993809.db2.gz OXMXHJPYMYIJBE-UHFFFAOYSA-N 1 0 361.368 2.659 20 5 FFBDRO Cc1cc(N2CCN(CCc3cnccn3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000866121440 731032244 /nfs/dbraw/zinc/03/22/44/731032244.db2.gz RIYWUWNSOAGGFX-UHFFFAOYSA-N 1 0 361.833 2.711 20 5 FFBDRO Cc1c(Br)c(N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)ncc1[N+](=O)[O-] ZINC000866209445 731040934 /nfs/dbraw/zinc/04/09/34/731040934.db2.gz SAILVMWUBUIYIN-GHMZBOCLSA-N 1 0 355.236 2.591 20 5 FFBDRO COc1cc(CN2CCC[C@@H]3[NH2+]CC[C@@H]32)c([N+](=O)[O-])cc1OC(F)F ZINC000866720056 731091306 /nfs/dbraw/zinc/09/13/06/731091306.db2.gz BSENOCVPOLAQMT-RYUDHWBXSA-N 1 0 357.357 2.531 20 5 FFBDRO C[C@@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000868006685 731250783 /nfs/dbraw/zinc/25/07/83/731250783.db2.gz WHUDJSNANRKDQP-SNVBAGLBSA-N 1 0 357.863 2.845 20 5 FFBDRO C[C@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1c(F)cccc1[N+](=O)[O-] ZINC000872119312 731731356 /nfs/dbraw/zinc/73/13/56/731731356.db2.gz PQLQFTNSKPSOKE-WODVXLOZSA-N 1 0 356.419 2.740 20 5 FFBDRO O=C(CC[NH2+]CCOC(F)(F)C(F)(F)F)Nc1ccccc1[N+](=O)[O-] ZINC000872244062 731744915 /nfs/dbraw/zinc/74/49/15/731744915.db2.gz BDTPGJGUGWAMSO-UHFFFAOYSA-N 1 0 371.262 2.685 20 5 FFBDRO O=C1[C@H](c2ccc([N+](=O)[O-])cc2)CCN1C[N@@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000872720485 731819696 /nfs/dbraw/zinc/81/96/96/731819696.db2.gz QRPHTXXZHGRFHV-INMHGKMJSA-N 1 0 361.467 2.553 20 5 FFBDRO [NH3+]C[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@@H]1C(F)(F)F ZINC000873226888 731892980 /nfs/dbraw/zinc/89/29/80/731892980.db2.gz DDOJIXRKWSBQKK-KOLCDFICSA-N 1 0 369.290 2.765 20 5 FFBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC000873881777 731976941 /nfs/dbraw/zinc/97/69/41/731976941.db2.gz OKWDCEZWCHUHCK-UHFFFAOYSA-N 1 0 369.849 2.565 20 5 FFBDRO COCCN(CC1CC[NH+](C)CC1)C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000876161494 732219873 /nfs/dbraw/zinc/21/98/73/732219873.db2.gz FHKUCVYOHCMVOA-UHFFFAOYSA-N 1 0 369.849 2.679 20 5 FFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]Cc3cc(Cl)c4c(c3)OCCO4)C2)c1 ZINC000876903340 732295095 /nfs/dbraw/zinc/29/50/95/732295095.db2.gz VPSUXHDGUSLNNU-UHFFFAOYSA-N 1 0 364.789 2.709 20 5 FFBDRO CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000877260120 732337736 /nfs/dbraw/zinc/33/77/36/732337736.db2.gz RWABQXLZQRPHMC-QGZVFWFLSA-N 1 0 351.472 2.910 20 5 FFBDRO C[C@@](O)(C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)c1cccc(Cl)c1 ZINC000877375254 732355190 /nfs/dbraw/zinc/35/51/90/732355190.db2.gz WICCJLVBYPPBKD-ZBCRRDGASA-N 1 0 350.806 2.646 20 5 FFBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000877388956 732356244 /nfs/dbraw/zinc/35/62/44/732356244.db2.gz IIHVJASSBUKPFQ-HIFRSBDPSA-N 1 0 355.847 2.741 20 5 FFBDRO CC[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000880469248 732912069 /nfs/dbraw/zinc/91/20/69/732912069.db2.gz UOWIZCUNXONZEV-YPMHNXCESA-N 1 0 355.822 2.982 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H]1CCC2(CCOCC2)O1 ZINC000927022258 738682332 /nfs/dbraw/zinc/68/23/32/738682332.db2.gz YTMKGOPIYMCCHX-ZFWWWQNUSA-N 1 0 350.415 2.982 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]Cc2nc3c(s2)COCC3)n1 ZINC000927117193 738692674 /nfs/dbraw/zinc/69/26/74/738692674.db2.gz KJJFSOQFWGVZCP-DGCLKSJQSA-N 1 0 363.443 2.594 20 5 FFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1C[C@H](S(C)(=O)=O)C1 ZINC000883374859 733376403 /nfs/dbraw/zinc/37/64/03/733376403.db2.gz SLMGDSDAXRYSFU-JHJVBQTASA-N 1 0 358.485 2.631 20 5 FFBDRO CC(C)[NH2+][C@H]1CCCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000782513269 738729213 /nfs/dbraw/zinc/72/92/13/738729213.db2.gz QAHNDCJRDGQDFT-ZDUSSCGKSA-N 1 0 352.410 2.525 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H]1CC[C@]2(CO[C@H](C)C2)O1 ZINC000886768945 733829332 /nfs/dbraw/zinc/82/93/32/733829332.db2.gz LUDFCKACIPBJKB-SDCOAXJVSA-N 1 0 350.415 2.981 20 5 FFBDRO C[C@]1(NC(=O)c2cccc([N+](=O)[O-])c2Br)C[NH+]2CCC1CC2 ZINC000892776349 734602424 /nfs/dbraw/zinc/60/24/24/734602424.db2.gz GWONFXZRIJDLTO-HNNXBMFYSA-N 1 0 368.231 2.571 20 5 FFBDRO C[NH+]1CCC2(CCN2C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000894048510 734793103 /nfs/dbraw/zinc/79/31/03/734793103.db2.gz ZCBZHHYJYUZYSI-UHFFFAOYSA-N 1 0 366.849 2.670 20 5 FFBDRO COc1c(O)ccc(C[N@@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC000894484070 734866663 /nfs/dbraw/zinc/86/66/63/734866663.db2.gz BJDGXHNMVWFLDO-UONOGXRCSA-N 1 0 350.415 2.948 20 5 FFBDRO CC(C)C[N@@H+]1CCO[C@H](COC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000735890827 734965363 /nfs/dbraw/zinc/96/53/63/734965363.db2.gz LNKGHAJFEHBGAU-HNNXBMFYSA-N 1 0 356.806 2.762 20 5 FFBDRO C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000895270836 734984522 /nfs/dbraw/zinc/98/45/22/734984522.db2.gz LNJGEQXJDMZRCJ-LBPRGKRZSA-N 1 0 360.801 2.994 20 5 FFBDRO COC(=O)/C=C\c1ccc(NC[C@]2([NH+](C)C)CCSC2)c([N+](=O)[O-])c1 ZINC000748280629 735632681 /nfs/dbraw/zinc/63/26/81/735632681.db2.gz CLDPJMPGHNVRQI-XTKXOIQPSA-N 1 0 365.455 2.630 20 5 FFBDRO CCOC(=O)CCC1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000750117387 735770867 /nfs/dbraw/zinc/77/08/67/735770867.db2.gz VRVDTZBLJDXBLJ-QGZVFWFLSA-N 1 0 350.415 2.684 20 5 FFBDRO COCCC[NH+]1CCC(N[C@@H](C)c2cc(OC)cc([N+](=O)[O-])c2)CC1 ZINC000903086859 736028671 /nfs/dbraw/zinc/02/86/71/736028671.db2.gz BBOYPAYDFDFNRK-AWEZNQCLSA-N 1 0 351.447 2.755 20 5 FFBDRO COc1cc([C@H](C)NCCC[N@@H+]2CCCO[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000903160466 736045147 /nfs/dbraw/zinc/04/51/47/736045147.db2.gz MMOYSLOTQZGUPN-CABCVRRESA-N 1 0 351.447 2.755 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCOC2CCSCC2)n1 ZINC000903446159 736096057 /nfs/dbraw/zinc/09/60/57/736096057.db2.gz MWKDPLRHWVIGEX-LSDHHAIUSA-N 1 0 354.476 2.777 20 5 FFBDRO COc1cc(CN2CC[C@@H]3CC[C@]32C[NH3+])c([N+](=O)[O-])cc1OC(F)F ZINC000903853369 736177327 /nfs/dbraw/zinc/17/73/27/736177327.db2.gz FHAYKBKKAGWUNE-ZBEGNZNMSA-N 1 0 357.357 2.518 20 5 FFBDRO O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@@H]2C[NH2+]CCC2(F)F)c1 ZINC000903955410 736195025 /nfs/dbraw/zinc/19/50/25/736195025.db2.gz RDWGCZRYYUFDLN-JTQLQIEISA-N 1 0 351.300 2.531 20 5 FFBDRO C[NH+](C)C[C@H]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 ZINC000755006907 736226102 /nfs/dbraw/zinc/22/61/02/736226102.db2.gz HKYYBRAPHWFPRJ-SECBINFHSA-N 1 0 374.210 2.520 20 5 FFBDRO CC1(C)C[C@@H](C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C(C)(C)O1 ZINC000905618768 736370028 /nfs/dbraw/zinc/37/00/28/736370028.db2.gz INLCDCNMVJUBCG-DZGCQCFKSA-N 1 0 352.431 2.518 20 5 FFBDRO C[NH+]1CC2(C1)CCN(C(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl)C2 ZINC000907764925 736665370 /nfs/dbraw/zinc/66/53/70/736665370.db2.gz WKZXUFRTMGCEEH-UHFFFAOYSA-N 1 0 362.188 2.818 20 5 FFBDRO O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000762986024 736889900 /nfs/dbraw/zinc/88/99/00/736889900.db2.gz YSKAHWIFPNCHLR-CQSZACIVSA-N 1 0 367.833 2.575 20 5 FFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@](C)(O)c1cccs1 ZINC000766114992 737196292 /nfs/dbraw/zinc/19/62/92/737196292.db2.gz IAFWHOUMBMIRED-SJCJKPOMSA-N 1 0 363.439 2.871 20 5 FFBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2ccc(Br)c([N+](=O)[O-])c2)C[C@H]1C ZINC000766557965 737242136 /nfs/dbraw/zinc/24/21/36/737242136.db2.gz XEXIGWVVAVIASH-MNOVXSKESA-N 1 0 370.247 2.912 20 5 FFBDRO CC(C)OC(=O)C[C@@H]1CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000766910790 737274562 /nfs/dbraw/zinc/27/45/62/737274562.db2.gz RQFTZLKLWFMXRN-YOEHRIQHSA-N 1 0 350.415 2.682 20 5 FFBDRO C[C@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000912649501 737327663 /nfs/dbraw/zinc/32/76/63/737327663.db2.gz VOGRSADMGVXMPD-DZGCQCFKSA-N 1 0 351.422 2.998 20 5 FFBDRO C[C@H]1CCC[N@@H+]1CCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000770295605 737613331 /nfs/dbraw/zinc/61/33/31/737613331.db2.gz ATOLAICYPQGGOC-JTQLQIEISA-N 1 0 356.220 2.571 20 5 FFBDRO COC(=O)C[C@@]1([NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CCCOC1 ZINC000770678586 737652157 /nfs/dbraw/zinc/65/21/57/737652157.db2.gz MOUJNMLNJSCQAG-SFHVURJKSA-N 1 0 350.415 2.920 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])c(N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)cc1Cl ZINC000774535645 737998355 /nfs/dbraw/zinc/99/83/55/737998355.db2.gz CIGSMOVLBRHYMH-KGLIPLIRSA-N 1 0 373.862 2.517 20 5 FFBDRO CC[NH+](CC)[C@H]1CCN(Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 ZINC000774636111 738007746 /nfs/dbraw/zinc/00/77/46/738007746.db2.gz LINGJNMOEMTTBB-ZDUSSCGKSA-N 1 0 351.838 2.972 20 5 FFBDRO O=[N+]([O-])c1cc2cnn(CN3CC[C@H](C[NH+]4CCCC4)C3)c2c(Cl)c1 ZINC000774639931 738008872 /nfs/dbraw/zinc/00/88/72/738008872.db2.gz ZUPCGDNOGAGJPO-CYBMUJFWSA-N 1 0 363.849 2.973 20 5 FFBDRO CSCc1ccc(C[NH2+][C@@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000921747760 738036822 /nfs/dbraw/zinc/03/68/22/738036822.db2.gz ZIHGGHOOKVFLOI-ROUUACIJSA-N 1 0 362.451 2.642 20 5 FFBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923536426 738299276 /nfs/dbraw/zinc/29/92/76/738299276.db2.gz LJQWZWQHLPLHCW-YVEFUNNKSA-N 1 0 366.849 2.793 20 5 FFBDRO CC[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC000777996397 738340350 /nfs/dbraw/zinc/34/03/50/738340350.db2.gz AFLBGVHMCSIUNG-ZDUSSCGKSA-N 1 0 373.450 2.585 20 5 FFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778031781 738345765 /nfs/dbraw/zinc/34/57/65/738345765.db2.gz HVQBRYSJTGCDSP-HIFRSBDPSA-N 1 0 353.369 2.772 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C[C@H]1C ZINC000778287357 738369695 /nfs/dbraw/zinc/36/96/95/738369695.db2.gz IGQJZEXAKMGWCH-PWSUYJOCSA-N 1 0 363.443 2.544 20 5 FFBDRO CC(=O)NC[C@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000929364763 738976335 /nfs/dbraw/zinc/97/63/35/738976335.db2.gz LRKDVVMMIXWROE-GFCCVEGCSA-N 1 0 370.247 2.705 20 5 FFBDRO CC(C)[NH+]1CCN(CCCOC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000787577965 739148114 /nfs/dbraw/zinc/14/81/14/739148114.db2.gz DTZMGRUCGKOPBA-UHFFFAOYSA-N 1 0 369.849 2.821 20 5 FFBDRO Cc1cc(OS(=O)(=O)c2ccc(C[NH+](C)C)cc2)c(F)cc1[N+](=O)[O-] ZINC000788674183 739270826 /nfs/dbraw/zinc/27/08/26/739270826.db2.gz COPOWRTYJZSQPW-UHFFFAOYSA-N 1 0 368.386 2.872 20 5 FFBDRO Nc1cc[nH+]c2c1CN(Cc1ccc(Br)cc1[N+](=O)[O-])CC2 ZINC000931516490 739278752 /nfs/dbraw/zinc/27/87/52/739278752.db2.gz VJUDTNRBCOPLAM-UHFFFAOYSA-N 1 0 363.215 2.893 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H](c2nc3c(s2)CCC3)C1 ZINC000932188050 739400759 /nfs/dbraw/zinc/40/07/59/739400759.db2.gz IKHFQGBEWJKCHE-ZDUSSCGKSA-N 1 0 361.471 2.925 20 5 FFBDRO CC(C)(C)[C@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCO1 ZINC000790431736 739453191 /nfs/dbraw/zinc/45/31/91/739453191.db2.gz QFLXVNRPCROALS-OAHLLOKOSA-N 1 0 353.394 2.809 20 5 FFBDRO CC(C)C[C@@H]1C[N@H+](C)CCN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000933247733 739588582 /nfs/dbraw/zinc/58/85/82/739588582.db2.gz IPCFSOKFCJTWSM-CQSZACIVSA-N 1 0 368.865 2.849 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)CCc2cc(F)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000933368808 739611279 /nfs/dbraw/zinc/61/12/79/739611279.db2.gz LFUONBXSXPSPMP-BBRMVZONSA-N 1 0 351.422 2.998 20 5 FFBDRO CCOC(=O)C1([C@@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000933884430 739700857 /nfs/dbraw/zinc/70/08/57/739700857.db2.gz DOKMIMIPZAIGKI-UONOGXRCSA-N 1 0 350.415 2.994 20 5 FFBDRO Cn1cc([C@H]2CSCCC[N@@H+]2C[C@H](O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000933977136 739713358 /nfs/dbraw/zinc/71/33/58/739713358.db2.gz ZBLHOOCWULDPGF-SJORKVTESA-N 1 0 362.455 2.542 20 5 FFBDRO CCCC[N@H+](C)C[C@@H](C)NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000809859997 741357048 /nfs/dbraw/zinc/35/70/48/741357048.db2.gz GBHKAEWJUGJLQF-LLVKDONJSA-N 1 0 363.867 2.647 20 5 FFBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000809914811 741360231 /nfs/dbraw/zinc/36/02/31/741360231.db2.gz OMCLYZRATHJLTN-LLVKDONJSA-N 1 0 358.826 2.727 20 5 FFBDRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000809916877 741360632 /nfs/dbraw/zinc/36/06/32/741360632.db2.gz WHQLSCLREGAYKI-LBPRGKRZSA-N 1 0 370.837 2.823 20 5 FFBDRO CC[C@H](CO)[NH+]1CCN(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000809950407 741365278 /nfs/dbraw/zinc/36/52/78/741365278.db2.gz QKXFATWFQLOBEI-CYBMUJFWSA-N 1 0 362.257 2.790 20 5 FFBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000811478309 741527411 /nfs/dbraw/zinc/52/74/11/741527411.db2.gz FYXKGPCHZQTVMT-CHWSQXEVSA-N 1 0 360.241 2.854 20 5 FFBDRO Cc1ccc(C[NH+]2CCC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c(Cl)c1 ZINC001001398434 742118878 /nfs/dbraw/zinc/11/88/78/742118878.db2.gz DWTAQQXWAIQFGA-NVXWUHKLSA-N 1 0 365.861 2.642 20 5 FFBDRO [NH3+][C@H]1CCO[C@H](C2CCN(C(=O)c3cc(Cl)ccc3[N+](=O)[O-])CC2)C1 ZINC000818014315 742230236 /nfs/dbraw/zinc/23/02/36/742230236.db2.gz DULGDPDFZBFZHE-BBRMVZONSA-N 1 0 367.833 2.607 20 5 FFBDRO C[C@@H]1C[C@@H](C)N(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000818023309 742230958 /nfs/dbraw/zinc/23/09/58/742230958.db2.gz IPCMQNVREKTBHH-FOGDFJRCSA-N 1 0 357.813 2.762 20 5 FFBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@@H](O)COCc2cccs2)c1 ZINC000819148821 742344274 /nfs/dbraw/zinc/34/42/74/742344274.db2.gz FJCZXWYGUVOXNJ-CYBMUJFWSA-N 1 0 356.831 2.977 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCc2cccc(C(F)(F)F)n2)cc1 ZINC000819330379 742375866 /nfs/dbraw/zinc/37/58/66/742375866.db2.gz PIEIIZLENLRONG-CQSZACIVSA-N 1 0 355.316 2.874 20 5 FFBDRO CCN(C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)[C@H]1CC[N@H+](C)C1 ZINC000822138859 742701821 /nfs/dbraw/zinc/70/18/21/742701821.db2.gz MJZOSJCKYLVOIF-NSHDSACASA-N 1 0 371.235 2.915 20 5 FFBDRO CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)NCC(C)(C)C[NH+](C)C ZINC000822236567 742709155 /nfs/dbraw/zinc/70/91/55/742709155.db2.gz FUEDOXZQMYVYJL-UHFFFAOYSA-N 1 0 370.837 2.524 20 5 FFBDRO CSC1(CNC(=O)c2c(C)ccc([N+](=O)[O-])c2C)CC[NH+](C)CC1 ZINC000823018794 742819249 /nfs/dbraw/zinc/81/92/49/742819249.db2.gz BRHRFXAXCJVZHQ-UHFFFAOYSA-N 1 0 351.472 2.769 20 5 FFBDRO CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[NH+](CCc2ccccc2Cl)CC1 ZINC001045437437 743275259 /nfs/dbraw/zinc/27/52/59/743275259.db2.gz RCKLDOHTNAFQAG-GDBMZVCRSA-N 1 0 365.861 2.518 20 5 FFBDRO CO[C@@H]1CCN([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C[C@H]1C ZINC000831527987 745542691 /nfs/dbraw/zinc/54/26/91/745542691.db2.gz JVKGIQMLCZHQLY-JRPNMDOOSA-N 1 0 355.822 2.932 20 5 FFBDRO Cc1nn(CCC(=O)OC[C@H]2CCCC[N@H+]2C(C)C)c(C)c1[N+](=O)[O-] ZINC000837493811 746459236 /nfs/dbraw/zinc/45/92/36/746459236.db2.gz PNZVLXAHVNXTQU-OAHLLOKOSA-N 1 0 352.435 2.604 20 5 FFBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2Br)C1 ZINC000839440444 746828778 /nfs/dbraw/zinc/82/87/78/746828778.db2.gz SQPZAIWMWWHZDD-NSHDSACASA-N 1 0 370.247 2.912 20 5 FFBDRO COC(=O)C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1Br)C1CC1 ZINC000839553353 746854027 /nfs/dbraw/zinc/85/40/27/746854027.db2.gz PHLLDSZMTZECBB-NSHDSACASA-N 1 0 357.204 2.789 20 5 FFBDRO CCO[C@@H]1COCC[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1Br ZINC000839567825 746858375 /nfs/dbraw/zinc/85/83/75/746858375.db2.gz QLRAEKUAGVGVQJ-WCQYABFASA-N 1 0 359.220 2.641 20 5 FFBDRO NC(=O)[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C[C@H]1c1ccccc1 ZINC000839640590 746878785 /nfs/dbraw/zinc/87/87/85/746878785.db2.gz KSCHMJIEHJLLKI-JKSUJKDBSA-N 1 0 359.813 2.949 20 5 FFBDRO CC[N@@H+]1CCC[C@H]1CNC(=S)NNc1cc(Cl)ccc1[N+](=O)[O-] ZINC000840789647 747184159 /nfs/dbraw/zinc/18/41/59/747184159.db2.gz ICCXDEILYKDDBZ-NSHDSACASA-N 1 0 357.867 2.524 20 5 FFBDRO C[C@H]1CN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)[C@@H](C)C[NH2+]1 ZINC000841160660 747283764 /nfs/dbraw/zinc/28/37/64/747283764.db2.gz DBRMCGALIGRFQF-IUCAKERBSA-N 1 0 357.208 2.571 20 5 FFBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000841161881 747284916 /nfs/dbraw/zinc/28/49/16/747284916.db2.gz OWSGTDPGQOZSHF-IUCAKERBSA-N 1 0 357.208 2.606 20 5 FFBDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000841161879 747285023 /nfs/dbraw/zinc/28/50/23/747285023.db2.gz OWSGTDPGQOZSHF-BDAKNGLRSA-N 1 0 357.208 2.606 20 5 FFBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000841859076 747477938 /nfs/dbraw/zinc/47/79/38/747477938.db2.gz XNQWPORPPQAGPZ-STQMWFEESA-N 1 0 366.849 2.779 20 5 FFBDRO CO[C@H](CC(C)C)C(=O)O[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000842367037 747580436 /nfs/dbraw/zinc/58/04/36/747580436.db2.gz RYZHWXIUKZWXBJ-DLBZAZTESA-N 1 0 350.415 2.773 20 5 FFBDRO O=C(CN1CCC([NH2+]CC2CC2)CC1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000843350888 747814944 /nfs/dbraw/zinc/81/49/44/747814944.db2.gz AOICIYUKAWLZRE-UHFFFAOYSA-N 1 0 366.849 2.651 20 5 FFBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000843357638 747816693 /nfs/dbraw/zinc/81/66/93/747816693.db2.gz MBGOEEHEVZRHQP-ROUUACIJSA-N 1 0 363.845 2.611 20 5 FFBDRO CC[C@@H]1CN([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC[C@H]1[NH3+] ZINC000843377379 747820792 /nfs/dbraw/zinc/82/07/92/747820792.db2.gz PKGDJMPCUXHBAF-MISXGVKJSA-N 1 0 354.838 2.634 20 5 FFBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000843452726 747838853 /nfs/dbraw/zinc/83/88/53/747838853.db2.gz XHCSAEJXKJZORF-ABAIWWIYSA-N 1 0 369.824 2.920 20 5 FFBDRO CCCN(C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000843450064 747839123 /nfs/dbraw/zinc/83/91/23/747839123.db2.gz JXPWKWQZGINLNE-UHFFFAOYSA-N 1 0 357.813 2.920 20 5 FFBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000843452729 747839144 /nfs/dbraw/zinc/83/91/44/747839144.db2.gz XHCSAEJXKJZORF-NHYWBVRUSA-N 1 0 369.824 2.920 20 5 FFBDRO C[C@@H]1[C@@H](C)[N@@H+](C)C[C@H](C)N1C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000844643566 748062445 /nfs/dbraw/zinc/06/24/45/748062445.db2.gz UHWZZQIAFZEWHX-HBNTYKKESA-N 1 0 370.247 2.910 20 5 FFBDRO COc1ccc(CSCC(=O)O[C@@H](C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000845666113 748301009 /nfs/dbraw/zinc/30/10/09/748301009.db2.gz CGNADSGGVBHDTH-ZDUSSCGKSA-N 1 0 368.455 2.864 20 5 FFBDRO CC[C@H]1C[N@H+](C)CCCN1C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000846989823 748592930 /nfs/dbraw/zinc/59/29/30/748592930.db2.gz VYTWIKHTDCSHPF-LBPRGKRZSA-N 1 0 357.813 2.873 20 5 FFBDRO CCN(CCc1nccs1)Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853504542 750076029 /nfs/dbraw/zinc/07/60/29/750076029.db2.gz SYQXIZXPGJZZQL-UHFFFAOYSA-N 1 0 358.427 2.832 20 5 FFBDRO C[NH+](C)CCC[C@@H]1CN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCO1 ZINC000854184137 750258375 /nfs/dbraw/zinc/25/83/75/750258375.db2.gz JSRHRHQGGBMMMD-CYBMUJFWSA-N 1 0 370.837 2.823 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@H]3CCC4(CCC4)CO3)CC2)cn1 ZINC000895806699 970972986 /nfs/dbraw/zinc/97/29/86/970972986.db2.gz ICZWUNTYMGZDSA-QGZVFWFLSA-N 1 0 360.458 2.898 20 5 FFBDRO Cn1cc(C[N@@H+]2CC[C@@H]([C@H]3CCCO3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000895843987 970993540 /nfs/dbraw/zinc/99/35/40/970993540.db2.gz KWTSVFZGLBPDMO-CRAIPNDOSA-N 1 0 356.426 2.996 20 5 FFBDRO COc1cc(C[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)ccc1[N+](=O)[O-] ZINC000826179230 947553533 /nfs/dbraw/zinc/55/35/33/947553533.db2.gz FJSXTSVUUIQAIZ-NSHDSACASA-N 1 0 354.370 2.634 20 5 FFBDRO Cc1cc(C[NH2+]CCC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c(C)s1 ZINC001267908906 971607859 /nfs/dbraw/zinc/60/78/59/971607859.db2.gz VAXXCQAWXIPVMZ-IAGOWNOFSA-N 1 0 365.499 2.748 20 5 FFBDRO C[NH+](C)CC1CCN(C(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)CC1 ZINC000896625644 971630992 /nfs/dbraw/zinc/63/09/92/971630992.db2.gz CIAAOOLSSCXLOP-UHFFFAOYSA-N 1 0 356.426 2.744 20 5 FFBDRO COC(=O)c1ncc([N+](=O)[O-])c(C)c1NCCC[N@@H+]1CCCC[C@@H]1C ZINC001167751078 971699288 /nfs/dbraw/zinc/69/92/88/971699288.db2.gz FFVYWWHYZOOUPY-LBPRGKRZSA-N 1 0 350.419 2.761 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ccc(-n3ccnc3[C@H]3CCC[NH2+]C3)nn2)cc1 ZINC001167057963 959219125 /nfs/dbraw/zinc/21/91/25/959219125.db2.gz YUZNBZBHALITRE-AWEZNQCLSA-N 1 0 350.382 2.705 20 5 FFBDRO C[NH+](C)CCOc1cc(NCC2(c3ccccc3)COC2)ccc1[N+](=O)[O-] ZINC001167297811 961274475 /nfs/dbraw/zinc/27/44/75/961274475.db2.gz RALPZVWRGDAWLU-UHFFFAOYSA-N 1 0 371.437 2.915 20 5 FFBDRO COc1ccc(CNC(=O)C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)cc1 ZINC000873023605 1013353264 /nfs/dbraw/zinc/35/32/64/1013353264.db2.gz PEAQRGCHBBNGEI-UHFFFAOYSA-N 1 0 357.410 2.626 20 5 FFBDRO COc1cc(NC(=O)CN(C)Cc2ccc([N+](=O)[O-])cc2)cc(OC)c1 ZINC000126087827 963355068 /nfs/dbraw/zinc/35/50/68/963355068.db2.gz JHYNWUSDNDIAOU-UHFFFAOYSA-N 1 0 359.382 2.683 20 5 FFBDRO O=[N+]([O-])c1ccc(OCC[N@H+]2Cc3cccnc3N3CCC[C@@H]3C2)cc1 ZINC001175502630 1013496022 /nfs/dbraw/zinc/49/60/22/1013496022.db2.gz FCQNKGOTASOMJR-QGZVFWFLSA-N 1 0 354.410 2.853 20 5 FFBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N(C[C@H](C)[NH+](C)C)c1c(C)cccc1C ZINC000891568635 964502411 /nfs/dbraw/zinc/50/24/11/964502411.db2.gz LVSYEROZMRHIMF-HNNXBMFYSA-N 1 0 373.457 2.700 20 5 FFBDRO Cn1nc2c(c1C[NH+]1CCC(Oc3ccc([N+](=O)[O-])cc3)CC1)CCC2 ZINC000892110074 965992441 /nfs/dbraw/zinc/99/24/41/965992441.db2.gz JOKYHRXJGZOQSR-UHFFFAOYSA-N 1 0 356.426 2.860 20 5 FFBDRO CCOC(=O)c1cc(-n2cc(CC[NH3+])c3cc(O)ccc32)ccc1[N+](=O)[O-] ZINC001167988003 966060190 /nfs/dbraw/zinc/06/01/90/966060190.db2.gz SGAVTKBLTBOFHZ-UHFFFAOYSA-N 1 0 369.377 2.922 20 5 FFBDRO COc1c(O)ccc(C[N@H+](C)C[C@]2(O)CCc3ccccc32)c1[N+](=O)[O-] ZINC000895091331 967532527 /nfs/dbraw/zinc/53/25/27/967532527.db2.gz UTVJGXWZEJWALJ-LJQANCHMSA-N 1 0 358.394 2.575 20 5 FFBDRO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000050901256 968104326 /nfs/dbraw/zinc/10/43/26/968104326.db2.gz KIGRZDVNIPSQNU-HUUCEWRRSA-N 1 0 373.457 2.919 20 5 FFBDRO C[C@@]12CN(C(=O)c3ccc([N+](=O)[O-])cn3)C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000874511416 1013845280 /nfs/dbraw/zinc/84/52/80/1013845280.db2.gz UOGWLCLRAXMIHM-OXJNMPFZSA-N 1 0 366.421 2.584 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+]CCCc2ccccc2)cc1[N+](=O)[O-] ZINC001177108910 1013851048 /nfs/dbraw/zinc/85/10/48/1013851048.db2.gz QHEUUANZSFCNPU-UHFFFAOYSA-N 1 0 358.394 2.869 20 5 FFBDRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000874847387 1013917709 /nfs/dbraw/zinc/91/77/09/1013917709.db2.gz PBMBBLHGKQLCHA-OALUTQOASA-N 1 0 372.469 2.894 20 5 FFBDRO C[C@H](OC(=O)[C@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000875160959 1013982315 /nfs/dbraw/zinc/98/23/15/1013982315.db2.gz DLDBPCYQHSMXPE-DOPJRALCSA-N 1 0 372.425 2.668 20 5 FFBDRO C[C@H](OC(=O)[C@@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000875160965 1013982344 /nfs/dbraw/zinc/98/23/44/1013982344.db2.gz DLDBPCYQHSMXPE-VHSSKADRSA-N 1 0 372.425 2.668 20 5 FFBDRO COC(=O)[C@H](C)C[N@H+](Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1)C1CC1 ZINC000103458331 970398029 /nfs/dbraw/zinc/39/80/29/970398029.db2.gz ZXGLVDMTJNKPKS-CYBMUJFWSA-N 1 0 358.398 2.689 20 5 FFBDRO C[N@H+](CC1CCCCC1)CN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000027080421 973029972 /nfs/dbraw/zinc/02/99/72/973029972.db2.gz JUMLELABIMBQGA-IBGZPJMESA-N 1 0 374.441 2.831 20 5 FFBDRO C[C@H](CNC(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000897058667 973203398 /nfs/dbraw/zinc/20/33/98/973203398.db2.gz PYOUZGFCXVWOOU-BZUAXINKSA-N 1 0 360.458 2.967 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H](C3CC3)[C@H]3CCCOC3)CC2)cn1 ZINC000897082460 973223049 /nfs/dbraw/zinc/22/30/49/973223049.db2.gz SWKLCRUAYMFZKM-HNAYVOBHSA-N 1 0 360.458 2.753 20 5 FFBDRO C[C@H](O)c1ccc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1 ZINC000876967238 1014434534 /nfs/dbraw/zinc/43/45/34/1014434534.db2.gz DSVYXDKNFXFDFI-AWEZNQCLSA-N 1 0 356.426 2.802 20 5 FFBDRO CC[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)N1CCCC1 ZINC000236994725 978392913 /nfs/dbraw/zinc/39/29/13/978392913.db2.gz TYXKAJKRJFJRRE-KRWDZBQOSA-N 1 0 357.458 2.959 20 5 FFBDRO COc1cccc(N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C)c1[N+](=O)[O-] ZINC001167943246 978413014 /nfs/dbraw/zinc/41/30/14/978413014.db2.gz KVCPERUNZSUCLK-ZDUSSCGKSA-N 1 0 353.419 2.855 20 5 FFBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N[C@H]1CCCCC12CC[NH2+]CC2 ZINC000877403397 1014574400 /nfs/dbraw/zinc/57/44/00/1014574400.db2.gz QTGXAYSLFAXGIE-KRWDZBQOSA-N 1 0 361.442 2.792 20 5 FFBDRO O=C(N[C@H]1C[C@@](C[NH2+]CC2CCCC2)(c2ccccc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001105423478 979430686 /nfs/dbraw/zinc/43/06/86/979430686.db2.gz XEDJKELAVVTDBK-XCJLJZCSSA-N 1 0 371.481 2.648 20 5 FFBDRO CC[C@@]1(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)OCCc2ccccc21 ZINC000877539975 1014618150 /nfs/dbraw/zinc/61/81/50/1014618150.db2.gz RMWONJNXGWLWLJ-RJYAGPCLSA-N 1 0 356.426 2.963 20 5 FFBDRO COc1cccc(CNC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000905851939 980531556 /nfs/dbraw/zinc/53/15/56/980531556.db2.gz DMOSODTWEPRHCU-ZIAGYGMSSA-N 1 0 357.410 2.959 20 5 FFBDRO Cn1cc(CN2CC[C@H]3[C@H](CC[N@@H+]3C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000877742597 1014704394 /nfs/dbraw/zinc/70/43/94/1014704394.db2.gz FMBCPXUUWJFOHF-QAPCUYQASA-N 1 0 355.442 2.521 20 5 FFBDRO [NH3+]Cc1cnn(-c2cnc(Cl)nc2Sc2ccc([N+](=O)[O-])cc2)c1 ZINC001168257918 981177451 /nfs/dbraw/zinc/17/74/51/981177451.db2.gz CJUJYZQVKZSVSB-UHFFFAOYSA-N 1 0 362.802 2.834 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1CN(C)CC[NH+]1CC2(C1)CCOCC2 ZINC000877765702 1014719424 /nfs/dbraw/zinc/71/94/24/1014719424.db2.gz OPQPGVGZFGQWCE-UHFFFAOYSA-N 1 0 363.458 2.538 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C[C@H]1C ZINC000878163346 1014893198 /nfs/dbraw/zinc/89/31/98/1014893198.db2.gz QJLAMHGXSSYYLS-KGLIPLIRSA-N 1 0 359.430 2.949 20 5 FFBDRO CC[N@H+](CCc1ccccn1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000764313176 984423167 /nfs/dbraw/zinc/42/31/67/984423167.db2.gz DQSCNSYSPWTRQJ-GOSISDBHSA-N 1 0 354.410 2.660 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC([C@H](O)c2ccccc2C)CC1 ZINC000878607471 1015128621 /nfs/dbraw/zinc/12/86/21/1015128621.db2.gz XKFZIHSPYXWTCI-IBGZPJMESA-N 1 0 358.442 2.854 20 5 FFBDRO CCCN(CC[NH+]1CCCC1)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878607447 1015129495 /nfs/dbraw/zinc/12/94/95/1015129495.db2.gz VOUAUQSYENQSHV-UHFFFAOYSA-N 1 0 359.430 2.953 20 5 FFBDRO CC(C)Cc1ccc(C[NH+]2CCC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1 ZINC001002786564 987475928 /nfs/dbraw/zinc/47/59/28/987475928.db2.gz BYOQRROYFPZYKG-RTBURBONSA-N 1 0 359.470 2.631 20 5 FFBDRO C[NH+](C)C1(C)CCC(NC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)CC1 ZINC001152158289 1032115348 /nfs/dbraw/zinc/11/53/48/1032115348.db2.gz QCSQIOBUQZMFAG-UHFFFAOYSA-N 1 0 354.838 2.823 20 5 FFBDRO [NH3+]CCc1nc(-c2ccccc2)nn1-c1ccnc2c1cccc2[N+](=O)[O-] ZINC001168714957 988219020 /nfs/dbraw/zinc/21/90/20/988219020.db2.gz OEAVHMBCSQZFMV-UHFFFAOYSA-N 1 0 360.377 2.892 20 5 FFBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]C[C@@]1(c3ccccc3)C[C@@H](O)C1)OCCO2 ZINC000922530466 988673782 /nfs/dbraw/zinc/67/37/82/988673782.db2.gz HIWQSBIXNCNJCL-UKIBZPOASA-N 1 0 370.405 2.548 20 5 FFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(CC[NH+]2CCCC2)CC1 ZINC000917095542 990132626 /nfs/dbraw/zinc/13/26/26/990132626.db2.gz LBIVCVHYZKKNGP-UHFFFAOYSA-N 1 0 372.391 2.831 20 5 FFBDRO CC(C)c1ccccc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001034644503 990148770 /nfs/dbraw/zinc/14/87/70/990148770.db2.gz IDRRVQVFWLYMOO-PSBWJHGTSA-N 1 0 359.470 2.992 20 5 FFBDRO CN(C(=O)CN1C[C@@H](CC[NH3+])c2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000923558197 991252721 /nfs/dbraw/zinc/25/27/21/991252721.db2.gz XPEUDQATKSQGII-CQSZACIVSA-N 1 0 354.410 2.510 20 5 FFBDRO CN(C(=O)CN1C[C@H](CC[NH3+])c2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000923558196 991253408 /nfs/dbraw/zinc/25/34/08/991253408.db2.gz XPEUDQATKSQGII-AWEZNQCLSA-N 1 0 354.410 2.510 20 5 FFBDRO C[C@@H]1CCCCN1CC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000237680919 991306506 /nfs/dbraw/zinc/30/65/06/991306506.db2.gz RIGALRDUMLAMBL-OAHLLOKOSA-N 1 0 357.458 2.959 20 5 FFBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)Nc3ccc([N+](=O)[O-])c4ccncc34)CC[C@@H]21 ZINC000880164947 1015770591 /nfs/dbraw/zinc/77/05/91/1015770591.db2.gz HIQPWPPHTVNWFA-WBMJQRKESA-N 1 0 355.398 2.701 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000880252585 1015791026 /nfs/dbraw/zinc/79/10/26/1015791026.db2.gz ARNXKAUGRBHJMA-INIZCTEOSA-N 1 0 374.485 2.770 20 5 FFBDRO NC(=O)c1ccc(C[N@H+]2Cc3ccccc3N3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000880550760 1015869221 /nfs/dbraw/zinc/86/92/21/1015869221.db2.gz ATAUXVWLZNVXHA-QGZVFWFLSA-N 1 0 366.421 2.678 20 5 FFBDRO O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])O[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000810845909 994950855 /nfs/dbraw/zinc/95/08/55/994950855.db2.gz WBJPRYXIYDMPRV-UKRRQHHQSA-N 1 0 363.370 2.606 20 5 FFBDRO NC(=O)COc1ccc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000824820453 997101592 /nfs/dbraw/zinc/10/15/92/997101592.db2.gz FYYMNRVSOJZKQG-KRWDZBQOSA-N 1 0 369.421 2.839 20 5 FFBDRO Cc1c(C(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000730786763 997481675 /nfs/dbraw/zinc/48/16/75/997481675.db2.gz RPXFWZCCAYYMKO-TXEJJXNPSA-N 1 0 364.402 2.804 20 5 FFBDRO Cc1c(C(=O)N2CCc3ccccc3[C@H]2C[NH3+])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000844160964 997703405 /nfs/dbraw/zinc/70/34/05/997703405.db2.gz POUOVXJNNFTNML-QGZVFWFLSA-N 1 0 370.365 2.510 20 5 FFBDRO C[C@@H]1CCC[C@H](C)[N@H+]1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000731212815 997741818 /nfs/dbraw/zinc/74/18/18/997741818.db2.gz GBVBDSCDOSNTQE-IYBDPMFKSA-N 1 0 360.458 2.506 20 5 FFBDRO COc1cc(Cc2noc([C@@H]3CC[C@@H](C4CC4)[NH2+]3)n2)c([N+](=O)[O-])c(OC)c1 ZINC000844918488 998230543 /nfs/dbraw/zinc/23/05/43/998230543.db2.gz VGDAYKPAYPURLK-KBPBESRZSA-N 1 0 374.397 2.789 20 5 FFBDRO Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)OC[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC000845822267 998667153 /nfs/dbraw/zinc/66/71/53/998667153.db2.gz URHBTCBUFGLYAE-PBHICJAKSA-N 1 0 372.425 2.645 20 5 FFBDRO C[C@H](OC(=O)CC[C@@H]1CCCC[N@@H+]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000803855291 1016245896 /nfs/dbraw/zinc/24/58/96/1016245896.db2.gz FIFZPROCHFYMEO-ZFWWWQNUSA-N 1 0 363.414 2.730 20 5 FFBDRO Cc1cc(C)cc(C[NH+]2CCC(C3(NC(=O)[C@@H]4C[C@H]4[N+](=O)[O-])CC3)CC2)c1 ZINC001000149270 1016245026 /nfs/dbraw/zinc/24/50/26/1016245026.db2.gz KCOCZKDQROKUSV-RTBURBONSA-N 1 0 371.481 2.829 20 5 FFBDRO CCc1ccccc1C[NH+]1CCC(C2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1 ZINC001000155628 1016249705 /nfs/dbraw/zinc/24/97/05/1016249705.db2.gz SVMBWOVASCGTOU-RTBURBONSA-N 1 0 371.481 2.775 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000734262609 999257436 /nfs/dbraw/zinc/25/74/36/999257436.db2.gz MJVFNVIEYVVIIR-INIZCTEOSA-N 1 0 362.430 2.668 20 5 FFBDRO CC[NH+](CC)CC1CCN(Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000738072038 999615859 /nfs/dbraw/zinc/61/58/59/999615859.db2.gz YBKFIAGWJQXTAG-UHFFFAOYSA-N 1 0 372.473 2.865 20 5 FFBDRO COc1ccc(OCCOC(=O)[C@H](C)[NH+]2CCCCCC2)c([N+](=O)[O-])c1 ZINC000745096054 999892583 /nfs/dbraw/zinc/89/25/83/999892583.db2.gz UADIPXBNXVYMFU-AWEZNQCLSA-N 1 0 366.414 2.790 20 5 FFBDRO Cc1c(C(=O)NCC[N@@H+](C)Cc2ccccc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000065419352 999933446 /nfs/dbraw/zinc/93/34/46/999933446.db2.gz LUWACPROAZBIDU-UHFFFAOYSA-N 1 0 372.381 2.673 20 5 FFBDRO CN(C(=O)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CCCCC1 ZINC000766438290 999994935 /nfs/dbraw/zinc/99/49/35/999994935.db2.gz SYCMGGZXLKKDFE-UHFFFAOYSA-N 1 0 374.485 2.944 20 5 FFBDRO CCCSc1nc(Cl)c([N+](=O)[O-])c(-n2cc3c(n2)CC[C@@H]([NH3+])C3)n1 ZINC001168809276 999998942 /nfs/dbraw/zinc/99/89/42/999998942.db2.gz QFJTVTVJYOELKY-SECBINFHSA-N 1 0 368.850 2.542 20 5 FFBDRO CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001168985434 1000012389 /nfs/dbraw/zinc/01/23/89/1000012389.db2.gz FEYQTPOCZRBJQT-XFIYOXNOSA-N 1 0 353.463 2.952 20 5 FFBDRO CC(C)(C)OC(=O)N1CCC[C@](F)(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168964783 1000013109 /nfs/dbraw/zinc/01/31/09/1000013109.db2.gz WEIVJCGXWVPDKG-VBQJREDUSA-N 1 0 359.442 2.761 20 5 FFBDRO C[C@@H](c1ccccc1)[C@H](CO)[NH2+]Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001168995505 1000013922 /nfs/dbraw/zinc/01/39/22/1000013922.db2.gz ONMWBLRSKTYGHL-BBRMVZONSA-N 1 0 368.393 2.899 20 5 FFBDRO COc1ncc([N+](=O)[O-])cc1-n1c(CCC[NH3+])nc2ccc(Cl)cc21 ZINC001168996236 1000014235 /nfs/dbraw/zinc/01/42/35/1000014235.db2.gz QUXHAHUVCWSKMU-UHFFFAOYSA-N 1 0 361.789 2.882 20 5 FFBDRO O=C1c2ccccc2CN1[C@H]1CC[C@H]([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168998128 1000014279 /nfs/dbraw/zinc/01/42/79/1000014279.db2.gz IOLISOZARYUEHP-NRSFXHEJSA-N 1 0 357.454 2.989 20 5 FFBDRO CC(C)[C@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC001169008242 1000015028 /nfs/dbraw/zinc/01/50/28/1000015028.db2.gz SHJREKUSQKJLEE-KBMXLJTQSA-N 1 0 355.479 2.913 20 5 FFBDRO CC(C)(C)OC(=O)N[C@@]12CCC[C@@H]1C[N@@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169011032 1000015237 /nfs/dbraw/zinc/01/52/37/1000015237.db2.gz HLXXRBZEVGUMBL-JTOWHCCKSA-N 1 0 353.463 2.811 20 5 FFBDRO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC[C@H]21 ZINC001169010726 1000015288 /nfs/dbraw/zinc/01/52/88/1000015288.db2.gz FUIAMHHSKRWEKK-ZJIFWQFVSA-N 1 0 353.463 2.763 20 5 FFBDRO Cc1cnc(C[NH3+])n1-c1c2ccc(Br)cc2ncc1[N+](=O)[O-] ZINC001169028522 1000016060 /nfs/dbraw/zinc/01/60/60/1000016060.db2.gz JVYFJBHOSOQMEB-UHFFFAOYSA-N 1 0 362.187 2.858 20 5 FFBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCN(c3ccc(C(F)(F)F)cn3)CC2)C1 ZINC001169027829 1000016093 /nfs/dbraw/zinc/01/60/93/1000016093.db2.gz QXSKPKIKCMHBKF-OCCSQVGLSA-N 1 0 358.364 2.668 20 5 FFBDRO Cc1cc(N2CC[NH+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)n(-c2ccccc2)n1 ZINC001169038878 1000017012 /nfs/dbraw/zinc/01/70/12/1000017012.db2.gz LDMRZRZCQYGNNW-HKUYNNGSSA-N 1 0 369.469 2.748 20 5 FFBDRO O=C1OC2(CN1c1ccccc1)CC[NH+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169038256 1000017027 /nfs/dbraw/zinc/01/70/27/1000017027.db2.gz XJZBIBHPFMJOLS-WBVHZDCISA-N 1 0 359.426 2.923 20 5 FFBDRO Cc1cccc(N([C@@H]2CC[C@H](C[N+](=O)[O-])C2)[C@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC001169018980 1000017231 /nfs/dbraw/zinc/01/72/31/1000017231.db2.gz FWWIXCIPXXQZNR-MTFMMBMASA-N 1 0 359.470 2.768 20 5 FFBDRO Cc1cccc(N([C@@H]2CC[C@H](C[N+](=O)[O-])C2)[C@@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001169018983 1000017276 /nfs/dbraw/zinc/01/72/76/1000017276.db2.gz FWWIXCIPXXQZNR-RNQOJCNYSA-N 1 0 359.470 2.768 20 5 FFBDRO O=C(c1ccco1)N1CCC2(C1)CC[NH+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169018037 1000017327 /nfs/dbraw/zinc/01/73/27/1000017327.db2.gz BIORDBCFRASNJA-JKSUJKDBSA-N 1 0 361.442 2.653 20 5 FFBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCC(c3nc(-c4cccnc4)no3)CC2)C1 ZINC001169023847 1000017988 /nfs/dbraw/zinc/01/79/88/1000017988.db2.gz FRAAJFCNEGLLRN-CZUORRHYSA-N 1 0 357.414 2.756 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCc3cn4c(n3)SCC4)CC2)cc1 ZINC000768286504 1000202273 /nfs/dbraw/zinc/20/22/73/1000202273.db2.gz LNMXJWLENGUIOZ-UHFFFAOYSA-N 1 0 373.482 2.698 20 5 FFBDRO CC(C)(CCC(=O)N1CCN(c2cc[nH+]c3ccccc32)CC1)[N+](=O)[O-] ZINC000846652488 1000400502 /nfs/dbraw/zinc/40/05/02/1000400502.db2.gz PKNNQPALYVXYOQ-UHFFFAOYSA-N 1 0 356.426 2.719 20 5 FFBDRO CC(C)(C)c1ccc(C[N@H+]2CC=C(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1 ZINC001000674100 1016422797 /nfs/dbraw/zinc/42/27/97/1016422797.db2.gz LRPIVVPCRJNALL-RTBURBONSA-N 1 0 371.481 2.898 20 5 FFBDRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1ccc(N)c([N+](=O)[O-])c1)[NH+](C)C ZINC000785858967 1001497965 /nfs/dbraw/zinc/49/79/65/1001497965.db2.gz VIBAJXTUGATKQG-ACJLOTCBSA-N 1 0 356.426 2.907 20 5 FFBDRO O=C(CC[N@@H+]1CCc2ccccc2C1)OCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000786814938 1001632232 /nfs/dbraw/zinc/63/22/32/1001632232.db2.gz DSTVBISEJMCGLB-UHFFFAOYSA-N 1 0 368.389 2.769 20 5 FFBDRO CCCN(CCC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000787762636 1001711182 /nfs/dbraw/zinc/71/11/82/1001711182.db2.gz KLFAYDOLZJTEDI-UHFFFAOYSA-N 1 0 362.474 2.999 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]Cc2nnc(-c3ccccc3)[nH]2)n1 ZINC000774316328 1001855835 /nfs/dbraw/zinc/85/58/35/1001855835.db2.gz SVJWDAKHELQWBT-HUUCEWRRSA-N 1 0 367.413 2.850 20 5 FFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]Cc2nnc(-c3ccccc3)[nH]2)n1 ZINC000774316322 1001856830 /nfs/dbraw/zinc/85/68/30/1001856830.db2.gz SVJWDAKHELQWBT-GJZGRUSLSA-N 1 0 367.413 2.850 20 5 FFBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000774517605 1001964604 /nfs/dbraw/zinc/96/46/04/1001964604.db2.gz HRLSUBALQLBXDY-LZWOXQAQSA-N 1 0 360.458 2.796 20 5 FFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCN1C[C@H]2CCCCN2C1=O ZINC001182977303 1002125485 /nfs/dbraw/zinc/12/54/85/1002125485.db2.gz DMEYMVGTJQPKNE-HAZIXKIPSA-N 1 0 358.442 2.878 20 5 FFBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)[NH+]1CCC(C)CC1 ZINC000791214216 1002621896 /nfs/dbraw/zinc/62/18/96/1002621896.db2.gz BKQNUKKKURZPLL-ZDUSSCGKSA-N 1 0 366.437 2.650 20 5 FFBDRO O=[N+]([O-])c1cccc([C@@H](O)CN2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000791624121 1002748336 /nfs/dbraw/zinc/74/83/36/1002748336.db2.gz XVWJNIFWYZXCNS-ZVDOUQERSA-N 1 0 367.449 2.692 20 5 FFBDRO COc1ccc(C[C@@H](C)[NH2+]CCN(C)C(=O)OC(C)(C)C)c([N+](=O)[O-])c1 ZINC001170294839 1003087718 /nfs/dbraw/zinc/08/77/18/1003087718.db2.gz DHBVRZCYBUILPN-CYBMUJFWSA-N 1 0 367.446 2.991 20 5 FFBDRO COc1ccc(C[C@@H](C)[NH2+][C@H]2Cc3ccccc3NC2=O)c([N+](=O)[O-])c1 ZINC001170296643 1003089714 /nfs/dbraw/zinc/08/97/14/1003089714.db2.gz HFMPJJPELQXQCP-PXAZEXFGSA-N 1 0 355.394 2.687 20 5 FFBDRO COC(=O)[C@@H]1CCC[C@@H]([NH2+][C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170310460 1003103135 /nfs/dbraw/zinc/10/31/35/1003103135.db2.gz WMDOEHOAVLYUDD-BPLDGKMQSA-N 1 0 350.415 2.856 20 5 FFBDRO COc1ccc(C[C@H](C)[NH2+]C[C@H]2C(=O)Nc3ccccc32)c([N+](=O)[O-])c1 ZINC001170326337 1003113702 /nfs/dbraw/zinc/11/37/02/1003113702.db2.gz HMHGVHAUYNFEOW-BLLLJJGKSA-N 1 0 355.394 2.860 20 5 FFBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2ccc3c(c2)CC(=O)N3)c([N+](=O)[O-])c1 ZINC001170325781 1003113716 /nfs/dbraw/zinc/11/37/16/1003113716.db2.gz ACFZSWACVFLOAZ-GFCCVEGCSA-N 1 0 355.394 2.819 20 5 FFBDRO COC(=O)c1ccc(C[NH2+][C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])cn1 ZINC001170327982 1003114243 /nfs/dbraw/zinc/11/42/43/1003114243.db2.gz SZJOACGAWDPRFE-GFCCVEGCSA-N 1 0 359.382 2.506 20 5 FFBDRO O=[N+]([O-])c1cc[n+]([O-])c(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1F ZINC001170330724 1003116920 /nfs/dbraw/zinc/11/69/20/1003116920.db2.gz SLGDKLAAXFNRQI-PHZGNYQRSA-N 1 0 372.400 2.975 20 5 FFBDRO COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+]([C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])C2 ZINC001170353109 1003121346 /nfs/dbraw/zinc/12/13/46/1003121346.db2.gz VXFZRYKWLWLLJO-CLWVCHIJSA-N 1 0 362.426 2.808 20 5 FFBDRO COCCCC[NH+]1CCN([C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC001170355487 1003122209 /nfs/dbraw/zinc/12/22/09/1003122209.db2.gz GQBXMCBSTYIUIZ-MRXNPFEDSA-N 1 0 365.474 2.579 20 5 FFBDRO CCOC(=O)[C@@H]1CCC[N@@H+]([C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170345814 1003131492 /nfs/dbraw/zinc/13/14/92/1003131492.db2.gz MBWXYLOHGZJFMV-DZGCQCFKSA-N 1 0 350.415 2.810 20 5 FFBDRO COc1ccc(C[C@@H](C)N(c2ncccn2)[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001170347557 1003134124 /nfs/dbraw/zinc/13/41/24/1003134124.db2.gz RWOQIHIYGXNMIQ-GDBMZVCRSA-N 1 0 371.441 2.583 20 5 FFBDRO O=[N+]([O-])c1cccc([N+](=O)[O-])c1NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000804560095 1003726243 /nfs/dbraw/zinc/72/62/43/1003726243.db2.gz RLDUZHSRVRJQFQ-XJKSGUPXSA-N 1 0 364.402 2.683 20 5 FFBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000804562131 1003727121 /nfs/dbraw/zinc/72/71/21/1003727121.db2.gz FNLQTKPHNOHEOZ-QGZVFWFLSA-N 1 0 361.442 2.879 20 5 FFBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000804778443 1003829968 /nfs/dbraw/zinc/82/99/68/1003829968.db2.gz SXNKGWCBTSPSIJ-ZDUSSCGKSA-N 1 0 364.402 2.724 20 5 FFBDRO CCN(C)C(=O)OC[C@H]1CCCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000805763147 1004138280 /nfs/dbraw/zinc/13/82/80/1004138280.db2.gz PUFOHAUYELQHDV-SJORKVTESA-N 1 0 365.430 2.571 20 5 FFBDRO O=C(C[NH2+]CC1(C2(O)CCC2)CCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC001197681029 1004319928 /nfs/dbraw/zinc/31/99/28/1004319928.db2.gz FBSCFKVPQPDOCL-UHFFFAOYSA-N 1 0 367.833 2.862 20 5 FFBDRO CCOC(=O)C1C[NH2+]CCC1=Nc1ncc(F)c2cc([N+](=O)[O-])ccc12 ZINC001170514079 1004456471 /nfs/dbraw/zinc/45/64/71/1004456471.db2.gz PZIGIDJYJUZANQ-UHFFFAOYSA-N 1 0 360.345 2.505 20 5 FFBDRO COC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000775819786 1004485193 /nfs/dbraw/zinc/48/51/93/1004485193.db2.gz QSYLQFCYWVUOMW-NEPJUHHUSA-N 1 0 369.393 2.699 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC1CN(C(=O)OC(C)(C)C)C1 ZINC001201833186 1005277058 /nfs/dbraw/zinc/27/70/58/1005277058.db2.gz LNKGNOPPHJAVCF-UHFFFAOYSA-N 1 0 365.430 2.950 20 5 FFBDRO Cc1ccc(C[NH2+]C[C@H]2CC[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1C ZINC001050326118 1016967960 /nfs/dbraw/zinc/96/79/60/1016967960.db2.gz RVWGJVYGQYPMMF-NXWXRZEISA-N 1 0 359.470 2.733 20 5 FFBDRO COc1cc(C[NH2+][C@H](C)CN(C)C(=O)OC(C)(C)C)c([N+](=O)[O-])cc1O ZINC000850417352 1005814390 /nfs/dbraw/zinc/81/43/90/1005814390.db2.gz TWFVLDNWNRMRAE-LLVKDONJSA-N 1 0 369.418 2.654 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](CO)C[C@@H](O)c1ccccc1 ZINC000850448829 1005816350 /nfs/dbraw/zinc/81/63/50/1005816350.db2.gz VMIMYVZGOUXXOD-DHSIGJKJSA-N 1 0 360.410 2.739 20 5 FFBDRO COC(=O)[C@H](C)C[N@@H+](Cc1ccccc1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776583024 1005954471 /nfs/dbraw/zinc/95/44/71/1005954471.db2.gz YQCPWEIBFLBEKX-BEFAXECRSA-N 1 0 372.421 2.940 20 5 FFBDRO CC(C)(C)C(=O)NC[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776582266 1005963172 /nfs/dbraw/zinc/96/31/72/1005963172.db2.gz NPGYJZFWJWALEB-WMLDXEAASA-N 1 0 363.458 2.503 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)cc1 ZINC000776595893 1006038542 /nfs/dbraw/zinc/03/85/42/1006038542.db2.gz CEBRWAIZVCYMSC-GDBMZVCRSA-N 1 0 357.414 2.503 20 5 FFBDRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC001133955052 1006058367 /nfs/dbraw/zinc/05/83/67/1006058367.db2.gz NNNQUMOUWANQRK-CQSZACIVSA-N 1 0 372.450 2.819 20 5 FFBDRO CCc1ccc(C(=O)N2CCC[C@H]([NH2+]C3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000881473295 1006117803 /nfs/dbraw/zinc/11/78/03/1006117803.db2.gz QLSRYLHCDKPQMJ-KRWDZBQOSA-N 1 0 361.442 2.530 20 5 FFBDRO Cc1c(CO)cc([N+](=O)[O-])c(NC[C@H](C(C)C)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000853135149 1006309772 /nfs/dbraw/zinc/30/97/72/1006309772.db2.gz ZZJOLZSFKSGXGP-OAHLLOKOSA-N 1 0 366.418 2.836 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC[C@@H]([NH2+]C3CCOCC3)C2)c(OC(F)F)c1 ZINC000882726520 1006490364 /nfs/dbraw/zinc/49/03/64/1006490364.db2.gz WUJVVVSBDHWNHM-CYBMUJFWSA-N 1 0 371.384 2.934 20 5 FFBDRO O=[N+]([O-])c1cccc([N+](=O)[O-])c1NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000853794198 1006539691 /nfs/dbraw/zinc/53/96/91/1006539691.db2.gz FXRLUTFIBORJLY-OAHLLOKOSA-N 1 0 372.381 2.682 20 5 FFBDRO Cc1c(Cc2noc(-c3cc(C4CC[NH2+]CC4)no3)n2)cccc1[N+](=O)[O-] ZINC000854141977 1006704842 /nfs/dbraw/zinc/70/48/42/1006704842.db2.gz BAZKJMAIKZUJQJ-UHFFFAOYSA-N 1 0 369.381 2.999 20 5 FFBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1C[C@]23C[N@H+](C)C[C@@]2(C1)CCCC3 ZINC001135266107 1006829357 /nfs/dbraw/zinc/82/93/57/1006829357.db2.gz JVMNLFNFIPIDBW-BGYRXZFFSA-N 1 0 372.469 2.609 20 5 FFBDRO COc1ccc([C@H]2C[NH2+]CCN2C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000883554623 1006861929 /nfs/dbraw/zinc/86/19/29/1006861929.db2.gz APVRCCXXTLQMTB-QGZVFWFLSA-N 1 0 356.382 2.782 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 ZINC000855287130 1007246962 /nfs/dbraw/zinc/24/69/62/1007246962.db2.gz IZGXUPFMIGQTBM-CQSZACIVSA-N 1 0 360.458 2.798 20 5 FFBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000856356140 1007785789 /nfs/dbraw/zinc/78/57/89/1007785789.db2.gz YCYVFFZHWLNIBQ-BLRBJFNZSA-N 1 0 351.406 2.999 20 5 FFBDRO O=C(NC[C@H]1CCC[N@H+](CC2CC2)C1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000856478823 1007847601 /nfs/dbraw/zinc/84/76/01/1007847601.db2.gz GBVFCXJTFGWUAF-CQSZACIVSA-N 1 0 367.396 2.925 20 5 FFBDRO CC(C)[N@H+](C)Cc1cc(O[C@@H]2CCN(c3ccc([N+](=O)[O-])nc3)C2)ccn1 ZINC000856535096 1007874774 /nfs/dbraw/zinc/87/47/74/1007874774.db2.gz NNVOACDOPSZRDQ-GOSISDBHSA-N 1 0 371.441 2.883 20 5 FFBDRO CC(C)[N@H+](C)Cc1cc(O[C@@H]2CCN(c3ncccc3[N+](=O)[O-])C2)ccn1 ZINC000856535235 1007875713 /nfs/dbraw/zinc/87/57/13/1007875713.db2.gz SFNHNXYSPMAIKH-QGZVFWFLSA-N 1 0 371.441 2.883 20 5 FFBDRO C[C@@H]([NH3+])c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1 ZINC000818524217 1007924728 /nfs/dbraw/zinc/92/47/28/1007924728.db2.gz GQCGOTZLFVIISE-CYBMUJFWSA-N 1 0 370.409 2.703 20 5 FFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]Cc2cccnc2OCC(F)(F)F)cc1 ZINC000818953662 1007991952 /nfs/dbraw/zinc/99/19/52/1007991952.db2.gz OHUAXPYARKNILI-CQSZACIVSA-N 1 0 371.315 2.754 20 5 FFBDRO Cc1ccc(OC[C@H](C)[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000818982631 1007999405 /nfs/dbraw/zinc/99/94/05/1007999405.db2.gz PMDBSRYCBPZBBH-RDJZCZTQSA-N 1 0 360.410 2.700 20 5 FFBDRO CCn1c(CC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)nc2ccccc21 ZINC000818983705 1008000674 /nfs/dbraw/zinc/00/06/74/1008000674.db2.gz NODQECBGNXYCCA-GOSISDBHSA-N 1 0 354.410 2.830 20 5 FFBDRO Cc1ccc([C@H](C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)N2CCCC2)o1 ZINC000818997296 1008004776 /nfs/dbraw/zinc/00/47/76/1008004776.db2.gz XGRNJHKESQFVRS-ROUUACIJSA-N 1 0 359.426 2.956 20 5 FFBDRO CN(C)C(=O)Nc1cccc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000819103581 1008034615 /nfs/dbraw/zinc/03/46/15/1008034615.db2.gz ZJZZYJRLBPXUTO-QGZVFWFLSA-N 1 0 358.398 2.512 20 5 FFBDRO COCCOc1cc(C)ccc1C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819147305 1008043559 /nfs/dbraw/zinc/04/35/59/1008043559.db2.gz OJUVSGHMURLAQC-GOSISDBHSA-N 1 0 360.410 2.752 20 5 FFBDRO CC(C)(C)OC(=O)N[C@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000819198290 1008064699 /nfs/dbraw/zinc/06/46/99/1008064699.db2.gz QOMTXKPZJCRKIN-HZPDHXFCSA-N 1 0 365.430 2.521 20 5 FFBDRO C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819235897 1008066993 /nfs/dbraw/zinc/06/69/93/1008066993.db2.gz YXGLVASVGRGKLU-YSGRDPCXSA-N 1 0 355.438 2.738 20 5 FFBDRO C[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000819353495 1008105584 /nfs/dbraw/zinc/10/55/84/1008105584.db2.gz YJSOUQSTMKJCHD-CKFHNAJUSA-N 1 0 369.421 2.584 20 5 FFBDRO Cc1nn(C[N@@H+]2CC3(CCC3)[C@H]2C2CCOCC2)c2ncc([N+](=O)[O-])cc12 ZINC000819901717 1008246554 /nfs/dbraw/zinc/24/65/54/1008246554.db2.gz DUXRDLRSANEENS-QGZVFWFLSA-N 1 0 371.441 2.887 20 5 FFBDRO Cc1ccc(O[C@H]2CC[N@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2)nc1 ZINC000858040062 1008286426 /nfs/dbraw/zinc/28/64/26/1008286426.db2.gz BNWDDVQOAQCFAJ-KRWDZBQOSA-N 1 0 370.409 2.780 20 5 FFBDRO C[C@H]1C[NH+](CCCNC(=O)c2cc([N+](=O)[O-])cc3ccccc32)C[C@H](C)O1 ZINC000858238533 1008330394 /nfs/dbraw/zinc/33/03/94/1008330394.db2.gz KOGXKZDKVMFENN-GJZGRUSLSA-N 1 0 371.437 2.977 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000820608241 1008356990 /nfs/dbraw/zinc/35/69/90/1008356990.db2.gz FMEDXFYTKDHTKG-UHFFFAOYSA-N 1 0 363.458 2.785 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000821142769 1008419948 /nfs/dbraw/zinc/41/99/48/1008419948.db2.gz GIOJQHOXDOAWEQ-DJIMGWMZSA-N 1 0 361.442 2.535 20 5 FFBDRO COCC[N@@H+]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])cc3ccccc32)C1 ZINC000859251624 1008493452 /nfs/dbraw/zinc/49/34/52/1008493452.db2.gz HIJBKCHBBNPRSB-HNNXBMFYSA-N 1 0 357.410 2.589 20 5 FFBDRO C[C@@H]1C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC[C@H]1C(=O)OC(C)(C)C ZINC000859611387 1008587006 /nfs/dbraw/zinc/58/70/06/1008587006.db2.gz CVIQYZPVHPUPLL-XYPHTWIQSA-N 1 0 364.442 2.928 20 5 FFBDRO O=[N+]([O-])c1ccccc1Cc1noc(-c2ccc3c(c2)CC[NH2+]CC3)n1 ZINC000822648025 1008714110 /nfs/dbraw/zinc/71/41/10/1008714110.db2.gz XKIQJZAQGWMVGI-UHFFFAOYSA-N 1 0 350.378 2.924 20 5 FFBDRO O=C(COc1ccccc1[N+](=O)[O-])O[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000117094514 1008757409 /nfs/dbraw/zinc/75/74/09/1008757409.db2.gz AGTFTAGUWRUSAJ-MRXNPFEDSA-N 1 0 356.378 2.791 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CCN1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000886648606 1008793761 /nfs/dbraw/zinc/79/37/61/1008793761.db2.gz YVIWQIGFDABVJL-RBUKOAKNSA-N 1 0 369.469 2.554 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2noc(CN3CCCC[C@@]4(CC[NH2+]C4)C3)n2)c1 ZINC000886870235 1008908019 /nfs/dbraw/zinc/90/80/19/1008908019.db2.gz SZUQCNKRDZJFEU-SFHVURJKSA-N 1 0 357.414 2.610 20 5 FFBDRO COc1cc(Cc2noc([C@@H](C(C)C)[C@@H](C)[NH3+])n2)c([N+](=O)[O-])c(OC)c1 ZINC000823147109 1008918320 /nfs/dbraw/zinc/91/83/20/1008918320.db2.gz WNCOSRQNJPTBKM-BMIGLBTASA-N 1 0 364.402 2.673 20 5 FFBDRO CC[C@H](CC(F)(F)F)[NH2+]Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC001178430957 1008970333 /nfs/dbraw/zinc/97/03/33/1008970333.db2.gz NBFCTGYNAXNYJR-LLVKDONJSA-N 1 0 364.320 2.967 20 5 FFBDRO CC(C)NS(=O)(=O)NCC[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC001178477660 1009003274 /nfs/dbraw/zinc/00/32/74/1009003274.db2.gz IAQMXOBCKDIZEM-UHFFFAOYSA-N 1 0 371.506 2.915 20 5 FFBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887133317 1009044308 /nfs/dbraw/zinc/04/43/08/1009044308.db2.gz YNCVHUTUOFKZGX-LSDHHAIUSA-N 1 0 369.425 2.528 20 5 FFBDRO C[C@@H](NC(=O)Nc1ccc(N)c([N+](=O)[O-])c1)[C@H](c1ccccc1)[NH+](C)C ZINC000823961484 1009281591 /nfs/dbraw/zinc/28/15/91/1009281591.db2.gz FTHRGXAKNAXKCE-SJKOYZFVSA-N 1 0 357.414 2.990 20 5 FFBDRO [NH3+]C[C@@H]1COc2ccccc2N1c1nccc(Br)c1[N+](=O)[O-] ZINC001171395180 1009879555 /nfs/dbraw/zinc/87/95/55/1009879555.db2.gz YWVPMTIUGCCIEZ-SECBINFHSA-N 1 0 365.187 2.610 20 5 FFBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1 ZINC000794589868 1010410208 /nfs/dbraw/zinc/41/02/08/1010410208.db2.gz BUKFSCJKFAHANU-AIADIJKESA-N 1 0 367.405 2.813 20 5 FFBDRO C[NH+]1CCN(c2ccc(NC(=O)c3c(F)cccc3[N+](=O)[O-])cc2)CC1 ZINC000864551938 1010501334 /nfs/dbraw/zinc/50/13/34/1010501334.db2.gz BQDSPRZYSFOBDP-UHFFFAOYSA-N 1 0 358.373 2.738 20 5 FFBDRO C[NH+](C)CCOc1ccc(CNc2cc(F)c([N+](=O)[O-])cc2CO)cc1 ZINC000865449654 1010788268 /nfs/dbraw/zinc/78/82/68/1010788268.db2.gz YPIFOYTULMIMSS-UHFFFAOYSA-N 1 0 363.389 2.779 20 5 FFBDRO Cc1c(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)c(=O)n(-c2ccccc2)n1C ZINC000865786175 1010861662 /nfs/dbraw/zinc/86/16/62/1010861662.db2.gz CRZLJRSEQFTIIM-UHFFFAOYSA-N 1 0 366.421 2.991 20 5 FFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1CCO[C@@H](c2nccn2C)C1 ZINC000866368452 1010984683 /nfs/dbraw/zinc/98/46/83/1010984683.db2.gz CIIOEVPVPRYGRZ-ISTRZQFTSA-N 1 0 362.405 2.908 20 5 FFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1 ZINC000866399208 1010987259 /nfs/dbraw/zinc/98/72/59/1010987259.db2.gz UNEDPZKPCXKWNA-POHZPAGDSA-N 1 0 361.373 2.885 20 5 FFBDRO O=C(Cc1cccc(F)c1[N+](=O)[O-])NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000867914687 1011118593 /nfs/dbraw/zinc/11/85/93/1011118593.db2.gz OUOKCXODBRQJCC-INIZCTEOSA-N 1 0 371.412 2.915 20 5 FFBDRO C[C@@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C1CC[NH2+]CC1 ZINC000868001851 1011142723 /nfs/dbraw/zinc/14/27/23/1011142723.db2.gz GVYWUUXDBYVQBL-OAHLLOKOSA-N 1 0 363.461 2.659 20 5 FFBDRO COCCN(CC1CC[NH+](C)CC1)C(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000869761219 1011920910 /nfs/dbraw/zinc/92/09/10/1011920910.db2.gz GRFSYJHMPURMCX-UHFFFAOYSA-N 1 0 363.458 2.642 20 5 FFBDRO COC[C@@H]1Cn2nccc2C[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172909136 1012074710 /nfs/dbraw/zinc/07/47/10/1012074710.db2.gz GMOSGWVORWQREV-MAUKXSAKSA-N 1 0 370.453 2.817 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CCN(CC3CCOCC3)C1)CC2 ZINC001172904439 1012078197 /nfs/dbraw/zinc/07/81/97/1012078197.db2.gz NOWUMZRAOULIQD-WOJBJXKFSA-N 1 0 373.497 2.933 20 5 FFBDRO O=C(N1CCCC1)C12CC(C1)C[N@H+]2[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172907653 1012080209 /nfs/dbraw/zinc/08/02/09/1012080209.db2.gz LERMWRGDNSGUHN-BPVAQJAMSA-N 1 0 369.465 2.929 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H](N1CC[NH+](C3CCOCC3)CC1)CC2 ZINC001172916070 1012099140 /nfs/dbraw/zinc/09/91/40/1012099140.db2.gz QKNGLKGXQFCNSI-GOSISDBHSA-N 1 0 359.470 2.639 20 5 FFBDRO N=c1nc([C@@H]2CCC[NH2+]2)ccn1[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172916852 1012100092 /nfs/dbraw/zinc/10/00/92/1012100092.db2.gz UGGJYZMMXFBDTL-RDJZCZTQSA-N 1 0 353.426 2.815 20 5 FFBDRO CN1CC2(CC1=O)CC[NH+]([C@H]1CCc3ccc([N+](=O)[O-])cc3CC1)CC2 ZINC001172911452 1012123557 /nfs/dbraw/zinc/12/35/57/1012123557.db2.gz CFUBHPKBHXPPCR-KRWDZBQOSA-N 1 0 357.454 2.787 20 5 FFBDRO CN1C(=O)CC[C@@H]2C[N@H+]([C@@H]3CCc4ccc([N+](=O)[O-])cc4CC3)CC[C@H]21 ZINC001172912617 1012124908 /nfs/dbraw/zinc/12/49/08/1012124908.db2.gz KTESXICHUNMFKP-ZHALLVOQSA-N 1 0 357.454 2.785 20 5 FFBDRO CN1C(=O)CC[C@@H]2C[N@H+]([C@@H]3CCc4ccc([N+](=O)[O-])cc4CC3)CC[C@@H]21 ZINC001172912609 1012125474 /nfs/dbraw/zinc/12/54/74/1012125474.db2.gz KTESXICHUNMFKP-LMMKCTJWSA-N 1 0 357.454 2.785 20 5 FFBDRO O=c1cc(C[NH2+]C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)cc[nH]1 ZINC001173009732 1012176607 /nfs/dbraw/zinc/17/66/07/1012176607.db2.gz BDVKGZZEILTBIY-UHFFFAOYSA-N 1 0 364.352 2.732 20 5 FFBDRO O=[N+]([O-])c1cc(F)c(N2CCC([N@@H+]3CCC4(COC4)C3)CC2)c(F)c1 ZINC001173009470 1012178720 /nfs/dbraw/zinc/17/87/20/1012178720.db2.gz CRQHWYGWTXDBPH-UHFFFAOYSA-N 1 0 353.369 2.564 20 5 FFBDRO Cc1cc(C[NH2+]C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)on1 ZINC001173012413 1012184204 /nfs/dbraw/zinc/18/42/04/1012184204.db2.gz SHRIKLBWGOZXNL-UHFFFAOYSA-N 1 0 352.341 2.928 20 5 FFBDRO CC[C@H](C)[C@H]([NH2+][C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-])C(=O)N(C)C ZINC001173177350 1012319583 /nfs/dbraw/zinc/31/95/83/1012319583.db2.gz AZUZVJKKMKHXKY-PRXAMGSTSA-N 1 0 369.437 2.766 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@@H](CO)Cc2ccccc2)c1F ZINC001173176370 1012320224 /nfs/dbraw/zinc/32/02/24/1012320224.db2.gz HZIJOYVIKZKCBN-UKRRQHHQSA-N 1 0 362.401 2.867 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@@H](CC(C)C)C(=O)N(C)C)c1F ZINC001173178738 1012322753 /nfs/dbraw/zinc/32/27/53/1012322753.db2.gz HZEURGNDRXNQOP-OCCSQVGLSA-N 1 0 369.437 2.766 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CCCC[C@@](O)(CF)C2)c1F ZINC001173180367 1012324506 /nfs/dbraw/zinc/32/45/06/1012324506.db2.gz KDXKJIGCXIUXKB-YVEFUNNKSA-N 1 0 358.385 2.860 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CCN2CCC[C@H](F)C2)c1F ZINC001173183706 1012326547 /nfs/dbraw/zinc/32/65/47/1012326547.db2.gz NGLDPEMGUOHSNQ-STQMWFEESA-N 1 0 357.401 2.697 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CCN2CCC[C@@H](F)C2)c1F ZINC001173183698 1012327160 /nfs/dbraw/zinc/32/71/60/1012327160.db2.gz NGLDPEMGUOHSNQ-CHWSQXEVSA-N 1 0 357.401 2.697 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CC[N@@H+]3CCCC[C@H]3C2)c1F ZINC001173189893 1012332295 /nfs/dbraw/zinc/33/22/95/1012332295.db2.gz OIEMHPVDASRDTC-KBPBESRZSA-N 1 0 351.422 2.844 20 5 FFBDRO CCOC(=O)[C@H]1C[C@@H]([NH2+][C@@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C1 ZINC001173191904 1012334389 /nfs/dbraw/zinc/33/43/89/1012334389.db2.gz NSVVIKZJUFGOJS-SDDRHHMPSA-N 1 0 354.378 2.605 20 5 FFBDRO COC(=O)[C@@H]1C[C@@H](C)C[N@@H+]([C@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C1 ZINC001173197245 1012340116 /nfs/dbraw/zinc/34/01/16/1012340116.db2.gz RUPYHRRAZLPIBU-JHJVBQTASA-N 1 0 368.405 2.805 20 5 FFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@H]2CN(c3cccnc3)C(=O)[C@H]2C1 ZINC001173228828 1012364161 /nfs/dbraw/zinc/36/41/61/1012364161.db2.gz ZDNQKYSFLQGVIP-ALKREAHSSA-N 1 0 366.421 2.516 20 5 FFBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(NC(=O)c2ccccn2)CC1 ZINC001173231903 1012365032 /nfs/dbraw/zinc/36/50/32/1012365032.db2.gz ORMJUZNNSMDXLD-OAHLLOKOSA-N 1 0 368.437 2.815 20 5 FFBDRO C[N@H+](CCc1nc(-c2ccccc2)no1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000796387510 1012585175 /nfs/dbraw/zinc/58/51/75/1012585175.db2.gz CXOMTJBLBIZAGP-KRWDZBQOSA-N 1 0 368.393 2.853 20 5 FFBDRO C[C@]([NH3+])(C(=O)N[C@@H]1[C@H]2CCc3ccccc3[C@@H]12)c1cccc([N+](=O)[O-])c1 ZINC000870910226 1012630135 /nfs/dbraw/zinc/63/01/35/1012630135.db2.gz LWBQXAMFJXZCSM-JRBPQWBISA-N 1 0 351.406 2.613 20 5 FFBDRO CN(C)c1cc(F)c(C(=O)NC2CCC(C)([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000871360577 1012883558 /nfs/dbraw/zinc/88/35/58/1012883558.db2.gz UHHLSJOAGLSILD-UHFFFAOYSA-N 1 0 366.437 2.793 20 5 FFBDRO CC(C)C[C@H](C)[NH2+]C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001173691682 1012901719 /nfs/dbraw/zinc/90/17/19/1012901719.db2.gz OCCFXYGGOKLESH-AWEZNQCLSA-N 1 0 369.487 2.772 20 5 FFBDRO Cc1nn(CN2CC[N@@H+](C)C[C@@H]2c2ccccc2)c2ncc([N+](=O)[O-])cc12 ZINC000748449966 1017240753 /nfs/dbraw/zinc/24/07/53/1017240753.db2.gz PBGLYCSHCFWLMZ-GOSISDBHSA-N 1 0 366.425 2.594 20 5 FFBDRO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000925963856 1017924598 /nfs/dbraw/zinc/92/45/98/1017924598.db2.gz WTUBHMONMDCCQX-INIZCTEOSA-N 1 0 370.356 2.946 20 5 FFBDRO C[C@@H](NC(=O)[C@@H]1CCCN1Cc1ccccn1)c1ccc([N+](=O)[O-])cc1 ZINC000928249250 1018909069 /nfs/dbraw/zinc/90/90/69/1018909069.db2.gz PSDXFMCOEZWWJA-KDOFPFPSSA-N 1 0 354.410 2.832 20 5 FFBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)C1CCC([NH+]3CCOCC3)CC1)CC2 ZINC000901318712 1018951756 /nfs/dbraw/zinc/95/17/56/1018951756.db2.gz WDUDXKCXRDVJIJ-UHFFFAOYSA-N 1 0 373.453 2.683 20 5 FFBDRO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@](CO)(c2ccccc2)C1 ZINC000801578482 1019133706 /nfs/dbraw/zinc/13/37/06/1019133706.db2.gz GXDUXKXILDJICP-FQEVSTJZSA-N 1 0 356.422 3.000 20 5 FFBDRO C[C@H](C(=O)N[C@@H](CC[NH+](C)C)c1cccnc1)c1cccc([N+](=O)[O-])c1 ZINC000928830744 1019145387 /nfs/dbraw/zinc/14/53/87/1019145387.db2.gz JZGFQQLBHRULQX-KSSFIOAISA-N 1 0 356.426 2.903 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000929095221 1019272666 /nfs/dbraw/zinc/27/26/66/1019272666.db2.gz SDKBIBFCOLPJQJ-UHFFFAOYSA-N 1 0 362.430 2.943 20 5 FFBDRO C[NH+]1CCC2(CCN2C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000929833411 1019676547 /nfs/dbraw/zinc/67/65/47/1019676547.db2.gz IHBDDVSVYJENBC-UHFFFAOYSA-N 1 0 370.356 2.898 20 5 FFBDRO CC(C)c1ccccc1C[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001072724759 1020293354 /nfs/dbraw/zinc/29/33/54/1020293354.db2.gz DFBRMRQJVDNJSF-QZTJIDSGSA-N 1 0 357.454 2.510 20 5 FFBDRO O=[N+]([O-])c1cc(O[C@H]2CCC[NH2+]C[C@@H]2F)c(Br)cc1F ZINC001217944599 1032912322 /nfs/dbraw/zinc/91/23/22/1032912322.db2.gz FWVKLKFYFUGRLX-ONGXEEELSA-N 1 0 351.147 2.965 20 5 FFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@@H]3COC[C@]3(c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000931908365 1020629682 /nfs/dbraw/zinc/62/96/82/1020629682.db2.gz VZYISALSVTWYIS-APWZRJJASA-N 1 0 369.377 2.903 20 5 FFBDRO COc1cc([C@@H](C)[NH2+]Cc2ccc(N3CCOCC3)nc2)cc([N+](=O)[O-])c1 ZINC000903068038 1020661137 /nfs/dbraw/zinc/66/11/37/1020661137.db2.gz WZZLRBBZVOPVRI-CQSZACIVSA-N 1 0 372.425 2.686 20 5 FFBDRO COCCOc1ccc(C[NH2+][C@H](C)c2cc(OC)cc([N+](=O)[O-])c2)cn1 ZINC000903072175 1020663048 /nfs/dbraw/zinc/66/30/48/1020663048.db2.gz HLXBZDAHQZRFAD-CYBMUJFWSA-N 1 0 361.398 2.874 20 5 FFBDRO C[C@]1(C2CC[NH+](CCCOc3ccc([N+](=O)[O-])cc3)CC2)COC(=O)N1 ZINC000932094484 1020705634 /nfs/dbraw/zinc/70/56/34/1020705634.db2.gz NGXUAWHBBKKGAP-GOSISDBHSA-N 1 0 363.414 2.574 20 5 FFBDRO COc1cc([C@@H](C)[NH2+]C2CCN(c3cccnn3)CC2)cc([N+](=O)[O-])c1 ZINC000903161105 1020709552 /nfs/dbraw/zinc/70/95/52/1020709552.db2.gz PZDGRIBEWSWZKT-CYBMUJFWSA-N 1 0 357.414 2.713 20 5 FFBDRO C[NH+](C)CCN(Cc1ccccn1)C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000932210816 1020743634 /nfs/dbraw/zinc/74/36/34/1020743634.db2.gz LWLCUPYOLOMSQH-RTBURBONSA-N 1 0 368.437 2.684 20 5 FFBDRO COc1cc(O[C@H]2C[NH2+]C[C@H]2C)c2c(c1)oc1ccc(OC)c(O)c1c2=O ZINC001217969370 1032925220 /nfs/dbraw/zinc/92/52/20/1032925220.db2.gz ZBINZTHWDDHEEF-HWPZZCPQSA-N 1 0 371.389 2.656 20 5 FFBDRO C[NH+]1CCC(OCC(=O)N(c2cccc([N+](=O)[O-])c2)C2CCCC2)CC1 ZINC000903238667 1020758625 /nfs/dbraw/zinc/75/86/25/1020758625.db2.gz RYFRMHZCXMMOBW-UHFFFAOYSA-N 1 0 361.442 2.981 20 5 FFBDRO COc1cc([C@H](C)[NH2+]C[C@]2(c3cnn(C)c3)CCCO2)cc([N+](=O)[O-])c1 ZINC000903359893 1020803763 /nfs/dbraw/zinc/80/37/63/1020803763.db2.gz UCJFHJABBLCRJE-UGSOOPFHSA-N 1 0 360.414 2.693 20 5 FFBDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000749602426 1021012307 /nfs/dbraw/zinc/01/23/07/1021012307.db2.gz OUGYYZPQKGIARM-QGZVFWFLSA-N 1 0 373.457 2.715 20 5 FFBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)NCCC(C)(F)F)c2)CC1 ZINC000934039182 1021129168 /nfs/dbraw/zinc/12/91/68/1021129168.db2.gz BBVMKNATOBZYQL-UHFFFAOYSA-N 1 0 371.388 2.513 20 5 FFBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC001116331448 1021169184 /nfs/dbraw/zinc/16/91/84/1021169184.db2.gz QDWCLFVZAMLKFT-ACJLOTCBSA-N 1 0 358.442 2.725 20 5 FFBDRO Cc1cn(C[NH+]2C[C@@H]3CCCC[C@H]3C2)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000749978703 1021185808 /nfs/dbraw/zinc/18/58/08/1021185808.db2.gz VWJMBMUDSLJUHS-HOTGVXAUSA-N 1 0 356.426 2.935 20 5 FFBDRO C[C@@H]1CC[NH2+]C[C@H]1Oc1cc([N+](=O)[O-])ccc1I ZINC001218043860 1032969817 /nfs/dbraw/zinc/96/98/17/1032969817.db2.gz NIJUFIOYCXVULB-PRHODGIISA-N 1 0 362.167 2.576 20 5 FFBDRO O=[N+]([O-])c1c2c(cc(Br)c1O[C@H]1CC[NH2+]C[C@H]1F)CCC2 ZINC001218071406 1032980199 /nfs/dbraw/zinc/98/01/99/1032980199.db2.gz PIDLFENLDMDATB-NEPJUHHUSA-N 1 0 359.195 2.925 20 5 FFBDRO CCC1([NH3+])CCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC001119315410 1022676382 /nfs/dbraw/zinc/67/63/82/1022676382.db2.gz KOPJANOKGKNIJZ-UHFFFAOYSA-N 1 0 355.822 2.747 20 5 FFBDRO [NH3+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC001122243300 1023140106 /nfs/dbraw/zinc/14/01/06/1023140106.db2.gz AMRMYGBCSQABRU-JHTCYJJGSA-N 1 0 351.406 2.783 20 5 FFBDRO [NH3+]C[C@@]12CC[C@H]1CCCN2C(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC001122270671 1023158897 /nfs/dbraw/zinc/15/88/97/1023158897.db2.gz VIZFEBHNIGCLLS-DYVFJYSZSA-N 1 0 351.834 2.911 20 5 FFBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C[C@@]1(O)CCc2ccccc21 ZINC000829358823 1033118241 /nfs/dbraw/zinc/11/82/41/1033118241.db2.gz NMASCTLBFSCVSS-FQEVSTJZSA-N 1 0 369.421 2.689 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)C[C@H]2C1 ZINC001120284676 1023293870 /nfs/dbraw/zinc/29/38/70/1023293870.db2.gz ZGVLOEQKDVQXBF-GVDBMIGSSA-N 1 0 370.453 2.738 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)C[C@H]2C1 ZINC001120284675 1023294113 /nfs/dbraw/zinc/29/41/13/1023294113.db2.gz ZGVLOEQKDVQXBF-BRWVUGGUSA-N 1 0 370.453 2.738 20 5 FFBDRO C[C@@H]1CC[C@@H](Oc2cc(I)ccc2[N+](=O)[O-])C[NH2+]1 ZINC001218407984 1033141591 /nfs/dbraw/zinc/14/15/91/1033141591.db2.gz SGVMUHAIRHEJPM-PSASIEDQSA-N 1 0 362.167 2.719 20 5 FFBDRO C[C@H]1CC[C@@H](Oc2c(I)cccc2[N+](=O)[O-])C[NH2+]1 ZINC001218407813 1033142297 /nfs/dbraw/zinc/14/22/97/1033142297.db2.gz RMOBLAZGSGRBRN-DTWKUNHWSA-N 1 0 362.167 2.719 20 5 FFBDRO C[C@@H]1CC[NH2+]C[C@@H]1Oc1cc(I)ccc1[N+](=O)[O-] ZINC001218483345 1033173987 /nfs/dbraw/zinc/17/39/87/1033173987.db2.gz WCCQLDXJLFYPJZ-PELKAZGASA-N 1 0 362.167 2.576 20 5 FFBDRO CCOC(=O)Cc1ccc([N+](=O)[O-])c(O[C@@H]2C[NH2+]Cc3ccccc32)c1 ZINC001218492832 1033180470 /nfs/dbraw/zinc/18/04/70/1033180470.db2.gz DJQLNPDPEHCAGR-GOSISDBHSA-N 1 0 356.378 2.924 20 5 FFBDRO O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCC([NH2+]C2CCOCC2)CC1 ZINC001124014934 1024224156 /nfs/dbraw/zinc/22/41/56/1024224156.db2.gz QAPUNQSEIPLVPQ-UHFFFAOYSA-N 1 0 367.833 2.621 20 5 FFBDRO C[C@H]1[NH2+]CCn2c(C(=O)N(Cc3ccccc3[N+](=O)[O-])C3CC3)ccc21 ZINC001122027574 1024270331 /nfs/dbraw/zinc/27/03/31/1024270331.db2.gz YAIISDBEJMNTKJ-CYBMUJFWSA-N 1 0 354.410 2.865 20 5 FFBDRO CC1(C)CCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC(C)(C)[NH2+]1 ZINC001124105304 1024286321 /nfs/dbraw/zinc/28/63/21/1024286321.db2.gz LDIUNXNANIDPQI-UHFFFAOYSA-N 1 0 371.441 2.773 20 5 FFBDRO [NH3+][C@H](CCNC(=O)CCc1cc(F)ccc1[N+](=O)[O-])Cc1ccccc1 ZINC001122103583 1024340044 /nfs/dbraw/zinc/34/00/44/1024340044.db2.gz OSWGMYIBYBQPOC-QGZVFWFLSA-N 1 0 359.401 2.743 20 5 FFBDRO Cc1cc(C)cc([C@H](O)C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000245458952 1025435479 /nfs/dbraw/zinc/43/54/79/1025435479.db2.gz VCKYFGMYZQNWQK-SJLPKXTDSA-N 1 0 356.426 2.826 20 5 FFBDRO CCC(CC)Nc1cc[nH+]cc1NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001141520132 1026508832 /nfs/dbraw/zinc/50/88/32/1026508832.db2.gz DSYBGKQSLJVGRA-UHFFFAOYSA-N 1 0 352.782 2.641 20 5 FFBDRO C[C@@H]1CN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1Cc1ccccc1 ZINC000839646348 1026774056 /nfs/dbraw/zinc/77/40/56/1026774056.db2.gz IGNVDPJUTZBBEK-OXQOHEQNSA-N 1 0 355.438 2.835 20 5 FFBDRO Cc1nn(C[N@@H+]2CCC[C@@H](CC(C)(C)C(N)=O)C2)c2ccc([N+](=O)[O-])cc12 ZINC000840106273 1026957972 /nfs/dbraw/zinc/95/79/72/1026957972.db2.gz BZGRTDJEGLDBGQ-AWEZNQCLSA-N 1 0 373.457 2.824 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N2CCC3(CC2)[NH2+]CCc2ccccc23)c1 ZINC001159019255 1027233358 /nfs/dbraw/zinc/23/33/58/1027233358.db2.gz GQEAEKSGMSFPKU-UHFFFAOYSA-N 1 0 374.828 2.523 20 5 FFBDRO [NH3+]CCN(c1cc([N+](=O)[O-])cc(Cl)[n+]1[O-])C12CC3CC(CC(C3)C1)C2 ZINC001159545738 1027427064 /nfs/dbraw/zinc/42/70/64/1027427064.db2.gz MYPCZQAMSILATD-UHFFFAOYSA-N 1 0 366.849 2.616 20 5 FFBDRO Cc1c(Nc2cccc(CN3CC[NH2+]CC3)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001159631544 1027451672 /nfs/dbraw/zinc/45/16/72/1027451672.db2.gz PXWWREMXPCMUKX-UHFFFAOYSA-N 1 0 371.397 2.960 20 5 FFBDRO CCOC(=O)c1cc(Nc2ccccc2N2CC[NH2+]CC2)cc([N+](=O)[O-])c1 ZINC001159814372 1027508819 /nfs/dbraw/zinc/50/88/19/1027508819.db2.gz LDJMKOPFNNFYQA-UHFFFAOYSA-N 1 0 370.409 2.925 20 5 FFBDRO COC(=O)c1ccnc(-n2c3ccccc3c3c2C[C@@H]([NH3+])CC3)c1[N+](=O)[O-] ZINC001159950542 1027542048 /nfs/dbraw/zinc/54/20/48/1027542048.db2.gz XZPOWJKGBCLCDS-NSHDSACASA-N 1 0 366.377 2.536 20 5 FFBDRO O=C(NCCC1=CC[N@H+](CCCCc2ccccc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001160097890 1027588838 /nfs/dbraw/zinc/58/88/38/1027588838.db2.gz OIFPALWDYOBQRT-WOJBJXKFSA-N 1 0 371.481 2.813 20 5 FFBDRO CC(=O)OC[C@H]([NH3+])C(=O)N(C)Cc1c2ccccc2cc2ccccc21 ZINC001160735866 1027841580 /nfs/dbraw/zinc/84/15/80/1027841580.db2.gz ZQBJCEWQEJWYMY-FQEVSTJZSA-N 1 0 350.418 2.842 20 5 FFBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000795707444 1027894337 /nfs/dbraw/zinc/89/43/37/1027894337.db2.gz NLKAJJHICCBLTA-HNAYVOBHSA-N 1 0 355.442 2.974 20 5 FFBDRO CSc1nc(Cl)c([N+](=O)[O-])c(-n2c(C[NH3+])cc3ccncc32)n1 ZINC001160959185 1027949011 /nfs/dbraw/zinc/94/90/11/1027949011.db2.gz IRGJGLWCUBXCDO-UHFFFAOYSA-N 1 0 350.791 2.558 20 5 FFBDRO CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c(F)cc2C)C[C@@H]1[NH+]1CCCC1 ZINC001153677317 1027957267 /nfs/dbraw/zinc/95/72/67/1027957267.db2.gz YXFBYMLICMKMMV-HOTGVXAUSA-N 1 0 367.446 2.694 20 5 FFBDRO Cc1nc(Cl)c([N+](=O)[O-])c(NC2CC[NH+](Cc3ccncc3)CC2)n1 ZINC001161100964 1028010086 /nfs/dbraw/zinc/01/00/86/1028010086.db2.gz BUTMLXYUSKMXLH-UHFFFAOYSA-N 1 0 362.821 2.818 20 5 FFBDRO Cc1nc(Cl)c([N+](=O)[O-])c(NCC2CC[NH+](C3CCOCC3)CC2)n1 ZINC001161234423 1028085573 /nfs/dbraw/zinc/08/55/73/1028085573.db2.gz QSXHIGDNBQXJOJ-UHFFFAOYSA-N 1 0 369.853 2.650 20 5 FFBDRO [NH3+][C@H]1CC[C@H](N(c2ccc(-c3ccccc3[N+](=O)[O-])nn2)C2COC2)CC1 ZINC001161280332 1028110801 /nfs/dbraw/zinc/11/08/01/1028110801.db2.gz MPKBVPNRPUDVNF-HDJSIYSDSA-N 1 0 369.425 2.527 20 5 FFBDRO [NH3+][C@H]1CC[C@H](N(c2ccncn2)c2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC001161363965 1028145489 /nfs/dbraw/zinc/14/54/89/1028145489.db2.gz GIMOHNPDOVWWBN-JOCQHMNTSA-N 1 0 365.397 2.736 20 5 FFBDRO O=[N+]([O-])c1ccc2ncnc(NC3(Cc4ccccn4)CC[NH2+]CC3)c2c1 ZINC001161491187 1028197358 /nfs/dbraw/zinc/19/73/58/1028197358.db2.gz GOMXTXCHSYSDMP-UHFFFAOYSA-N 1 0 364.409 2.710 20 5 FFBDRO C[N@H+](Cc1ccccc1)C1(CNC(=O)c2cc([N+](=O)[O-])n[nH]2)CCCCC1 ZINC001154270476 1028212941 /nfs/dbraw/zinc/21/29/41/1028212941.db2.gz QYBKOTOILZWFFM-UHFFFAOYSA-N 1 0 371.441 2.883 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(N(CC(C)(C)C)[C@H]2CC[C@H]([NH3+])CC2)n1 ZINC001161680332 1028281483 /nfs/dbraw/zinc/28/14/83/1028281483.db2.gz AHEWOWZOSFATAI-JOCQHMNTSA-N 1 0 364.446 2.899 20 5 FFBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000249741392 1028288920 /nfs/dbraw/zinc/28/89/20/1028288920.db2.gz IVKNXPIPFKTGFL-VXGBXAGGSA-N 1 0 364.402 2.662 20 5 FFBDRO [NH3+]C1(Cc2ccccc2F)CCN(c2nc(Cl)ncc2[N+](=O)[O-])CC1 ZINC001161985641 1028383621 /nfs/dbraw/zinc/38/36/21/1028383621.db2.gz MGZWVJDXTUKYCX-UHFFFAOYSA-N 1 0 365.796 2.718 20 5 FFBDRO CCOC1(OCC)CC[NH2+]C[C@H]1Nc1cc(C)c2cc([N+](=O)[O-])ccc2n1 ZINC001155226454 1028633605 /nfs/dbraw/zinc/63/36/05/1028633605.db2.gz ANFQWDRQIZBOBO-QGZVFWFLSA-N 1 0 374.441 2.995 20 5 FFBDRO CCOC1(OCC)CC[NH2+]C[C@@H]1Nc1ncc(C(C)(C)C)cc1[N+](=O)[O-] ZINC001162729863 1028635572 /nfs/dbraw/zinc/63/55/72/1028635572.db2.gz KAXMDMUPLNLXFN-HNNXBMFYSA-N 1 0 366.462 2.830 20 5 FFBDRO C[NH+](C)C[C@H](Nc1cc([N+](=O)[O-])cc[n+]1[O-])C12CC3CC(CC(C3)C1)C2 ZINC001162814492 1028668108 /nfs/dbraw/zinc/66/81/08/1028668108.db2.gz PLWPZPLCSZKLCY-QBNKABOXSA-N 1 0 360.458 2.787 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])c(N[C@@H]2C[NH2+]Cc3ccsc32)cc1OC ZINC001163230337 1028849455 /nfs/dbraw/zinc/84/94/55/1028849455.db2.gz VNMJBIQXGIBOHY-GFCCVEGCSA-N 1 0 363.395 2.708 20 5 FFBDRO COc1cccc([C@@H](C[NH3+])NC(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)c1 ZINC001163306898 1028883581 /nfs/dbraw/zinc/88/35/81/1028883581.db2.gz SKACRUKVJKKGFB-LLVKDONJSA-N 1 0 372.759 2.991 20 5 FFBDRO C[C@H](CNc1c2ccc(Br)cc2ncc1[N+](=O)[O-])C[NH+](C)C ZINC001163404911 1028917445 /nfs/dbraw/zinc/91/74/45/1028917445.db2.gz XUWWVUCLSUICJK-SNVBAGLBSA-N 1 0 367.247 2.937 20 5 FFBDRO COC(=O)c1ccc([C@H]([NH3+])CNc2cc([N+](=O)[O-])cc(Cl)n2)cc1 ZINC001163462265 1028934307 /nfs/dbraw/zinc/93/43/07/1028934307.db2.gz PRZXTVVDLDPHKV-GFCCVEGCSA-N 1 0 350.762 2.542 20 5 FFBDRO CC1(C)CCC[N@H+](CCNC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)C1 ZINC001155884789 1028958416 /nfs/dbraw/zinc/95/84/16/1028958416.db2.gz AROUKZDMMPXCCN-UHFFFAOYSA-N 1 0 372.828 2.821 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(-n2c(C)c(C)c3cc(C[NH3+])ccc32)n1 ZINC001155906743 1028969567 /nfs/dbraw/zinc/96/95/67/1028969567.db2.gz DRQDRKFYZITPJF-UHFFFAOYSA-N 1 0 354.366 2.796 20 5 FFBDRO N=C(Nc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1)C12CC3CC(CC(C3)C1)C2 ZINC001155962127 1028996017 /nfs/dbraw/zinc/99/60/17/1028996017.db2.gz YANNPSLCMLUMIC-UHFFFAOYSA-N 1 0 356.430 2.677 20 5 FFBDRO CN(CC[NH3+])C(F)(F)c1cc(-c2cccc([N+](=O)[O-])c2)nnc1Cl ZINC001163690872 1029027501 /nfs/dbraw/zinc/02/75/01/1029027501.db2.gz XPDDQYYOUAEDMH-UHFFFAOYSA-N 1 0 357.748 2.645 20 5 FFBDRO COc1cc(-n2c3ccccc3nc2C2CC[NH2+]CC2)ncc1[N+](=O)[O-] ZINC001163760076 1029051006 /nfs/dbraw/zinc/05/10/06/1029051006.db2.gz NGPDNSLRTXNUCG-UHFFFAOYSA-N 1 0 353.382 2.804 20 5 FFBDRO O=[N+]([O-])c1c[nH]c2nc(NCc3cccnc3C3CC[NH2+]CC3)ccc12 ZINC001163905982 1029111625 /nfs/dbraw/zinc/11/16/25/1029111625.db2.gz ZOLLHEFORDGIOP-UHFFFAOYSA-N 1 0 352.398 2.945 20 5 FFBDRO C[C@@H]1CC[C@H](C[NH3+])N(c2nc(C(F)(F)F)nc(Cl)c2[N+](=O)[O-])C1 ZINC001164073315 1029164010 /nfs/dbraw/zinc/16/40/10/1029164010.db2.gz JQMNHPOFVCRVMD-RNFRBKRXSA-N 1 0 353.732 2.621 20 5 FFBDRO CNC(=O)c1ccc(N2C[C@@H]([NH+]3CCCC3)C[C@H]2C(C)C)c([N+](=O)[O-])c1 ZINC001164350863 1029255197 /nfs/dbraw/zinc/25/51/97/1029255197.db2.gz MOPMWGNPOCEBCD-RDJZCZTQSA-N 1 0 360.458 2.654 20 5 FFBDRO Cc1cc(N2C[C@@H]3CCC[N@@H+](C)[C@@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001157270512 1029530497 /nfs/dbraw/zinc/53/04/97/1029530497.db2.gz FQNLTHLAWWVORS-DOTOQJQBSA-N 1 0 353.426 2.891 20 5 FFBDRO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N(CC[NH2+]C)C(C)(C)C ZINC001157825807 1029670919 /nfs/dbraw/zinc/67/09/19/1029670919.db2.gz SMENYRHWOOHMRU-UHFFFAOYSA-N 1 0 358.826 2.644 20 5 FFBDRO [NH3+]Cc1ccc2ncn(-c3nc(C(F)(F)F)nc(Cl)c3[N+](=O)[O-])c2c1 ZINC001158008581 1029707961 /nfs/dbraw/zinc/70/79/61/1029707961.db2.gz GRLGIAWSFAXAHE-UHFFFAOYSA-N 1 0 372.694 2.855 20 5 FFBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N[C@@H]1CC(C)(C)C[C@](C)(C[NH3+])C1 ZINC001158270320 1029781616 /nfs/dbraw/zinc/78/16/16/1029781616.db2.gz UYIPDZRBGCUBGB-PIGZYNQJSA-N 1 0 350.419 2.732 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)n1 ZINC001158272247 1029782560 /nfs/dbraw/zinc/78/25/60/1029782560.db2.gz WJABVUPYEUUMOA-GTNSWQLSSA-N 1 0 350.419 2.732 20 5 FFBDRO O=[N+]([O-])c1ccc2ncnc(N(c3ccncc3F)C3CC[NH2+]CC3)c2c1 ZINC001158340288 1029801855 /nfs/dbraw/zinc/80/18/55/1029801855.db2.gz QJFXBSFRMNEFMN-UHFFFAOYSA-N 1 0 368.372 2.962 20 5 FFBDRO Cc1cc(NC[C@H](O)COc2cccc(F)c2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000782947149 1029861024 /nfs/dbraw/zinc/86/10/24/1029861024.db2.gz COZWSISWWOATFX-HNNXBMFYSA-N 1 0 371.368 2.864 20 5 FFBDRO Cc1ccc(-c2ccc(N3C[C@H](C4([NH3+])CC4)[C@H](CF)C3)nn2)cc1[N+](=O)[O-] ZINC001165430756 1029978202 /nfs/dbraw/zinc/97/82/02/1029978202.db2.gz CBFOOHVGQYJPBT-CABCVRRESA-N 1 0 371.416 2.873 20 5 FFBDRO C[N@H+](C[C@H]1CC=CCC1)CN1C(=O)N[C@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000784011333 1030413546 /nfs/dbraw/zinc/41/35/46/1030413546.db2.gz PNQAFAMAWFKVTE-IFXJQAMLSA-N 1 0 372.425 2.607 20 5 FFBDRO CC(C)(C)[C@H]1CC[N@H+](CN2C(=O)N[C@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000784031119 1030430767 /nfs/dbraw/zinc/43/07/67/1030430767.db2.gz JWIXJHQIAGMSJX-IFXJQAMLSA-N 1 0 374.441 2.687 20 5 FFBDRO Cc1nn(C[N@@H+]2CCC[C@@H](C3(C)OCCO3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000784032121 1030431209 /nfs/dbraw/zinc/43/12/09/1030431209.db2.gz UZNLBPWYBJTQKQ-CQSZACIVSA-N 1 0 360.414 2.685 20 5 FFBDRO CC1([C@H]2CCC[N@H+](Cn3cc(-c4cccc([N+](=O)[O-])c4)cn3)C2)OCCO1 ZINC000784039033 1030435451 /nfs/dbraw/zinc/43/54/51/1030435451.db2.gz RRCGZOLUVDRNEE-KRWDZBQOSA-N 1 0 372.425 2.891 20 5 FFBDRO COC(=O)C1(Nc2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)CC[NH2+]CC1 ZINC001166966372 1030592102 /nfs/dbraw/zinc/59/21/02/1030592102.db2.gz CVMFJNHLYLIGGX-UHFFFAOYSA-N 1 0 355.394 2.969 20 5 FFBDRO O=[N+]([O-])c1cccc2nc(-n3ncc4cc(N5CC[NH2+]CC5)ccc43)ccc21 ZINC001167019073 1030614616 /nfs/dbraw/zinc/61/46/16/1030614616.db2.gz UXXYDYLJLLXFOC-UHFFFAOYSA-N 1 0 374.404 2.892 20 5 FFBDRO CC[NH+]1CCN(c2cc(N(C)C(=O)CCC3CC3)cc([N+](=O)[O-])c2)CC1 ZINC001534795790 1069682857 /nfs/dbraw/zinc/68/28/57/1069682857.db2.gz NPIGSJQMCBODOL-UHFFFAOYSA-N 1 0 360.458 2.890 20 5 FFBDRO C[NH2+]C[C@@H](C)c1noc([C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)n1 ZINC000842581103 1030795624 /nfs/dbraw/zinc/79/56/24/1030795624.db2.gz JLBZJKJQKWMPNE-DOMZBBRYSA-N 1 0 373.413 2.586 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2ncn(C[N@@H+]3CCC[C@H]3[C@@H]3CCCOC3)n2)cc1 ZINC000842613233 1030822238 /nfs/dbraw/zinc/82/22/38/1030822238.db2.gz BEIIXWLQJIEDCH-WBVHZDCISA-N 1 0 357.414 2.702 20 5 FFBDRO CC(C)NC(=O)OC[C@H]1CCCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000796719260 1030893469 /nfs/dbraw/zinc/89/34/69/1030893469.db2.gz YMOGDEHYAHNBMT-IAGOWNOFSA-N 1 0 365.430 2.617 20 5 FFBDRO CC(C)[N@@H+]1CCC[C@@H](COC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000842835380 1030985580 /nfs/dbraw/zinc/98/55/80/1030985580.db2.gz GKTOEPJXMXOCKA-CYBMUJFWSA-N 1 0 364.398 2.643 20 5 FFBDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1OC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000797341833 1031075562 /nfs/dbraw/zinc/07/55/62/1031075562.db2.gz GZLIXSVRFRGIHP-QGZVFWFLSA-N 1 0 372.425 2.635 20 5 FFBDRO CCOC(=O)N1CCC([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000797521026 1031144240 /nfs/dbraw/zinc/14/42/40/1031144240.db2.gz SPCHGPZOLVMFSN-CYBMUJFWSA-N 1 0 365.430 2.950 20 5 FFBDRO C[C@H](O)[C@@](C)(C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000843099323 1031182789 /nfs/dbraw/zinc/18/27/89/1031182789.db2.gz DSLCQZVLEIGKOU-RYGJVYDSSA-N 1 0 358.438 2.848 20 5 FFBDRO C[C@@H]1C[N@H+](CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)[C@@H](C)CO1 ZINC001204428992 1031283086 /nfs/dbraw/zinc/28/30/86/1031283086.db2.gz ACHVDOPFYSLIFO-DLBZAZTESA-N 1 0 361.486 2.959 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H]2C[C@H]([NH+](C)C)C23CCC3)c1 ZINC001149197949 1031455289 /nfs/dbraw/zinc/45/52/89/1031455289.db2.gz WUISRCMLIUZSBZ-IRXDYDNUSA-N 1 0 361.442 2.661 20 5 FFBDRO O=C(NCC1([NH2+]Cc2ccc(CF)cc2)CCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001115530603 1031786387 /nfs/dbraw/zinc/78/63/87/1031786387.db2.gz HBBKFDDNNSAHCS-IAGOWNOFSA-N 1 0 363.433 2.730 20 5 FFBDRO Cc1ccc(C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCCCC2)cc1C ZINC001115530892 1031788581 /nfs/dbraw/zinc/78/85/81/1031788581.db2.gz XDACWZNAUVPSSB-QZTJIDSGSA-N 1 0 359.470 2.877 20 5 FFBDRO O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001150935649 1031814460 /nfs/dbraw/zinc/81/44/60/1031814460.db2.gz QCTRWHJRIRWONN-MRXNPFEDSA-N 1 0 373.840 2.834 20 5 FFBDRO COc1cc(C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)cc([N+](=O)[O-])c1C ZINC001535324900 1069765840 /nfs/dbraw/zinc/76/58/40/1069765840.db2.gz VRXMTJPLGMXYDL-UHFFFAOYSA-N 1 0 373.413 2.627 20 5 FFBDRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC000829791253 1033338478 /nfs/dbraw/zinc/33/84/78/1033338478.db2.gz BAHIEIFTBBFEIE-CQSZACIVSA-N 1 0 372.400 2.799 20 5 FFBDRO CC(C)(C)[N@@H+]1CCN[C@@H](C(=O)Nc2cc3cccnc3c3ncccc23)C1 ZINC001218979911 1033440962 /nfs/dbraw/zinc/44/09/62/1033440962.db2.gz KZYABPZRYVMGQZ-QGZVFWFLSA-N 1 0 363.465 2.794 20 5 FFBDRO COc1cccc(CO[C@H]2CC[C@@H]([NH+]3CCOCC3)CC2)c1[N+](=O)[O-] ZINC001223810868 1033599953 /nfs/dbraw/zinc/59/99/53/1033599953.db2.gz MMWYCLKWSLTTFS-IYBDPMFKSA-N 1 0 350.415 2.763 20 5 FFBDRO C[C@H]1CC2(C[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)CCOCC2 ZINC000830603656 1033705826 /nfs/dbraw/zinc/70/58/26/1033705826.db2.gz YYIRKTRZHUTGAH-ZDUSSCGKSA-N 1 0 365.405 2.954 20 5 FFBDRO CCOC(=O)CCNC(=O)[C@@H]([NH3+])Cc1c2ccccc2cc2ccccc21 ZINC001219692894 1033756657 /nfs/dbraw/zinc/75/66/57/1033756657.db2.gz JCWKRJWHRVJYHN-FQEVSTJZSA-N 1 0 364.445 2.932 20 5 FFBDRO O=C(COC1CCN(c2cc[nH+]cc2)CC1)OCc1ccc([N+](=O)[O-])cc1 ZINC001224987414 1034083044 /nfs/dbraw/zinc/08/30/44/1034083044.db2.gz QVYISSOKIHQKOA-UHFFFAOYSA-N 1 0 371.393 2.719 20 5 FFBDRO O=[N+]([O-])c1ccnc(Cl)c1O[C@H]1COCCN(Cc2ccccc2)C1 ZINC001225434648 1034252548 /nfs/dbraw/zinc/25/25/48/1034252548.db2.gz IGJHBYOIHCPUJE-CQSZACIVSA-N 1 0 363.801 2.923 20 5 FFBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)NC1CCN(c2cc[nH+]cc2)CC1 ZINC001225484491 1034274479 /nfs/dbraw/zinc/27/44/79/1034274479.db2.gz MIKBHRSTSDUAHK-UHFFFAOYSA-N 1 0 369.425 2.501 20 5 FFBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cc(C(F)(F)F)nc2ccccc21 ZINC001225894093 1034440502 /nfs/dbraw/zinc/44/05/02/1034440502.db2.gz FVAOJOOPVSUTCJ-LLVKDONJSA-N 1 0 357.352 2.616 20 5 FFBDRO COC(=O)c1cc(OC)c(OC2CCC([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC001226431389 1034681582 /nfs/dbraw/zinc/68/15/82/1034681582.db2.gz OAYZNJXKMGVPDB-UHFFFAOYSA-N 1 0 352.387 2.642 20 5 FFBDRO COC(=O)c1cc(OC2CC[NH+](C(C)C)CC2)c(OC)cc1[N+](=O)[O-] ZINC001226438510 1034683954 /nfs/dbraw/zinc/68/39/54/1034683954.db2.gz HHQPEJATYAGLTI-UHFFFAOYSA-N 1 0 352.387 2.642 20 5 FFBDRO CC(C)(C)OC(=O)N1CC[N@@H+]2C[C@H](Oc3cccc([N+](=O)[O-])c3)C[C@H]2C1 ZINC001226763740 1034825528 /nfs/dbraw/zinc/82/55/28/1034825528.db2.gz BCTKCNWJRJUWFZ-GOEBONIOSA-N 1 0 363.414 2.667 20 5 FFBDRO COC(=O)C1=C[C@@H](Oc2cccc([N+](=O)[O-])c2)C[N@H+](Cc2ccccc2)C1 ZINC001226768983 1034828490 /nfs/dbraw/zinc/82/84/90/1034828490.db2.gz UDAPOTMIAXIQFZ-LJQANCHMSA-N 1 0 368.389 2.957 20 5 FFBDRO CC1([NH+]2CCC2)CCC(NC(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000834795948 1035451886 /nfs/dbraw/zinc/45/18/86/1035451886.db2.gz NTACVNIXAIUDPS-UHFFFAOYSA-N 1 0 361.442 2.887 20 5 FFBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc(Cl)c(OC(F)(F)F)c1 ZINC001227867690 1035779567 /nfs/dbraw/zinc/77/95/67/1035779567.db2.gz BGHWWNBUNHKRSI-SECBINFHSA-N 1 0 356.748 2.601 20 5 FFBDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1Oc1nc[nH]c(=O)c1[N+](=O)[O-] ZINC001228143383 1035958452 /nfs/dbraw/zinc/95/84/52/1035958452.db2.gz LTQITPLQVGZSRA-AWEZNQCLSA-N 1 0 358.398 2.770 20 5 FFBDRO C[NH+](C)CCc1ccc(O[C@@H](C[N+](=O)[O-])c2ccc3c(c2)OCO3)cc1 ZINC001229660765 1036812214 /nfs/dbraw/zinc/81/22/14/1036812214.db2.gz VYVUSBSNVSSPIO-IBGZPJMESA-N 1 0 358.394 2.916 20 5 FFBDRO CC(C)Oc1cc(C(F)(F)F)ccc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001234304029 1036984898 /nfs/dbraw/zinc/98/48/98/1036984898.db2.gz WTMVNRSRDNWKNZ-CYBMUJFWSA-N 1 0 364.384 2.855 20 5 FFBDRO CCOc1cc(NC(=O)N[C@H](C)C[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC001207130331 1037175774 /nfs/dbraw/zinc/17/57/74/1037175774.db2.gz MFTXOMHWJKDTIT-CYBMUJFWSA-N 1 0 350.419 2.989 20 5 FFBDRO O=C1NCCN(Cc2ccc3ccc4cccc5ccc2c3c45)C12C[NH2+]C2 ZINC001235068910 1037339437 /nfs/dbraw/zinc/33/94/37/1037339437.db2.gz IYLCQPGGGSOPHN-UHFFFAOYSA-N 1 0 355.441 2.858 20 5 FFBDRO O=C1NCCN(Cc2c3ccccc3c3cc4ccccc4oc2-3)C12C[NH2+]C2 ZINC001235068316 1037340765 /nfs/dbraw/zinc/34/07/65/1037340765.db2.gz FOUPMXHHVKYRTA-UHFFFAOYSA-N 1 0 371.440 2.965 20 5 FFBDRO O=[N+]([O-])c1cccc2ncnc(O[C@H]3CC[C@@H]([NH+]4CCOCC4)CC3)c21 ZINC001231055428 1037451922 /nfs/dbraw/zinc/45/19/22/1037451922.db2.gz JPBFEISHNNPIQA-OKILXGFUSA-N 1 0 358.398 2.560 20 5 FFBDRO COc1cc(N2CCC([N@@H+]3CC[C@@](C)(O)[C@@H](C)C3)CC2)ccc1[N+](=O)[O-] ZINC001256093510 1038380360 /nfs/dbraw/zinc/38/03/60/1038380360.db2.gz MWWYEWBFBSKCOM-IFXJQAMLSA-N 1 0 363.458 2.665 20 5 FFBDRO COc1cc(N2CCC([N@@H+]3CCC[C@@H]4CN(C)C[C@H]43)CC2)ccc1[N+](=O)[O-] ZINC001256100862 1038384740 /nfs/dbraw/zinc/38/47/40/1038384740.db2.gz RHHGCIFOZYNJAW-DNVCBOLYSA-N 1 0 374.485 2.598 20 5 FFBDRO Cc1cc2nc3ccc(N(C)C)cc3nc2cc1NC[C@]1(O)CCC[NH2+]C1 ZINC001245964170 1039167336 /nfs/dbraw/zinc/16/73/36/1039167336.db2.gz WTFIIVZOZYJAHG-NRFANRHFSA-N 1 0 365.481 2.684 20 5 FFBDRO C[C@H]1C[NH+](CCc2nnc(-c3cc(F)cc(F)c3[N+](=O)[O-])o2)C[C@H](C)O1 ZINC001258145258 1039224238 /nfs/dbraw/zinc/22/42/38/1039224238.db2.gz HGHGTJFEXORCHB-UWVGGRQHSA-N 1 0 368.340 2.575 20 5 FFBDRO Cc1cc(-c2nnc(CC[NH+]3C[C@@H](C)O[C@H](C)C3)o2)cc([N+](=O)[O-])c1C ZINC001258161745 1039240778 /nfs/dbraw/zinc/24/07/78/1039240778.db2.gz LYJUMGPQUMECHK-CHWSQXEVSA-N 1 0 360.414 2.913 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CCCC[C@](F)(C[NH3+])C2)c1F ZINC001246573518 1039401369 /nfs/dbraw/zinc/40/13/69/1039401369.db2.gz DANUXFBTOBNKGZ-SJCJKPOMSA-N 1 0 357.401 2.826 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001246879174 1039515856 /nfs/dbraw/zinc/51/58/56/1039515856.db2.gz MMEKKNMLUOQILX-SCWSEQNSSA-N 1 0 351.450 2.999 20 5 FFBDRO [NH3+][C@]1(c2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)CCc2cc(F)ccc2C1 ZINC001249277220 1040664773 /nfs/dbraw/zinc/66/47/73/1040664773.db2.gz KAUJXIIRAHRESH-QGZVFWFLSA-N 1 0 373.319 2.661 20 5 FFBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@@H]2[NH2+]CC[C@H]2c2ccccc2)n1 ZINC001249287996 1040668804 /nfs/dbraw/zinc/66/88/04/1040668804.db2.gz NLPXFIUJLOAAKJ-GXTWGEPZSA-N 1 0 355.329 2.997 20 5 FFBDRO Cn1ncc2cc(-c3noc(C[C@@H]([NH3+])c4ccccc4[N+](=O)[O-])n3)ccc21 ZINC001249342699 1040692113 /nfs/dbraw/zinc/69/21/13/1040692113.db2.gz QURMOOKZRPAIHO-CQSZACIVSA-N 1 0 364.365 2.774 20 5 FFBDRO [NH3+][C@H](Cc1nc(-c2ccc3c(c2)OCO3)no1)c1ccc([N+](=O)[O-])cc1 ZINC001249341775 1040692350 /nfs/dbraw/zinc/69/23/50/1040692350.db2.gz AHOMKERHVCWXNW-CYBMUJFWSA-N 1 0 354.322 2.616 20 5 FFBDRO O=C1NCc2ccccc2[C@@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254468876 1040735198 /nfs/dbraw/zinc/73/51/98/1040735198.db2.gz PXSOTHLDBLAMIN-IBGZPJMESA-N 1 0 366.421 2.524 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH+]3CCN(c4nccs4)CC3)CC2)cc1 ZINC001254476063 1040743681 /nfs/dbraw/zinc/74/36/81/1040743681.db2.gz KMYIHGIABGQILG-UHFFFAOYSA-N 1 0 373.482 2.842 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CCN(C(=O)c2ccccn2)CC1 ZINC001254548196 1040790860 /nfs/dbraw/zinc/79/08/60/1040790860.db2.gz LEWDLXSTCXACQY-HNNXBMFYSA-N 1 0 368.437 2.815 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CN1C(=O)CCC1=O)C(C)(C)C ZINC001254549617 1040792114 /nfs/dbraw/zinc/79/21/14/1040792114.db2.gz UQKJRQPLZJMXSC-CJNGLKHVSA-N 1 0 361.442 2.679 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc2c(c1)N(C)C(=O)CO2 ZINC001254549011 1040793266 /nfs/dbraw/zinc/79/32/66/1040793266.db2.gz PMVVCVCZTSVTLJ-ZDUSSCGKSA-N 1 0 355.394 2.671 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](NC(=O)c2ccccn2)C1 ZINC001254568424 1040804166 /nfs/dbraw/zinc/80/41/66/1040804166.db2.gz FRXBQXXMLJEDSE-NVXWUHKLSA-N 1 0 368.437 2.815 20 5 FFBDRO COc1cc(C)nc(O[C@H]2CC[N@@H+]([C@H](C)Cc3ccccc3[N+](=O)[O-])C2)n1 ZINC001254568511 1040806155 /nfs/dbraw/zinc/80/61/55/1040806155.db2.gz GKHPSJPTXJXPQF-ZBFHGGJFSA-N 1 0 372.425 2.786 20 5 FFBDRO CCOC(=O)[C@@H](C[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC001254587805 1040818592 /nfs/dbraw/zinc/81/85/92/1040818592.db2.gz ZOYSAUURSHZGFX-MJGOQNOKSA-N 1 0 354.406 2.999 20 5 FFBDRO COCC[C@@H]1CO[C@@]2(C1)CCC[N@@H+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254595267 1040825055 /nfs/dbraw/zinc/82/50/55/1040825055.db2.gz HZNKYTAZIFEJHK-RYGJVYDSSA-N 1 0 360.454 2.970 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CC[C@]3(C[C@@H](OCC4CC4)CO3)C1)C2 ZINC001254599923 1040830499 /nfs/dbraw/zinc/83/04/99/1040830499.db2.gz MVANZBUKBBWDBR-AQNXPRMDSA-N 1 0 358.438 2.722 20 5 FFBDRO C[C@@H]1C[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001254608282 1040837320 /nfs/dbraw/zinc/83/73/20/1040837320.db2.gz QDSOAFDLRODBEM-JLZZUVOBSA-N 1 0 361.442 2.907 20 5 FFBDRO Cc1cc(O[C@@H]2CCC[N@@H+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)ncn1 ZINC001254610333 1040839016 /nfs/dbraw/zinc/83/90/16/1040839016.db2.gz JQOQRMZIKMLXIF-QZTJIDSGSA-N 1 0 354.410 2.704 20 5 FFBDRO C[C@@H](COc1ccccc1F)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC001261435933 1041235764 /nfs/dbraw/zinc/23/57/64/1041235764.db2.gz KSNLVZVKDYODIJ-DZGCQCFKSA-N 1 0 364.373 2.531 20 5 FFBDRO COc1cc(-c2nc3cc(N4CC[NH+](C)CC4)ccc3[nH]2)cc([N+](=O)[O-])c1 ZINC001250620115 1041268328 /nfs/dbraw/zinc/26/83/28/1041268328.db2.gz LJGJQYIGQZLSAS-UHFFFAOYSA-N 1 0 367.409 2.899 20 5 FFBDRO CC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[NH+](Cc2cc3ccccc3o2)CC1 ZINC001278607712 1041405082 /nfs/dbraw/zinc/40/50/82/1041405082.db2.gz PQYSZEGTXPDXKO-IAGOWNOFSA-N 1 0 371.437 2.816 20 5 FFBDRO O=C(/C=C/[C@@H]1CCC[NH2+]C1)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC001262044399 1041527523 /nfs/dbraw/zinc/52/75/23/1041527523.db2.gz GGHLNRCALOXYHA-GQOHGMTASA-N 1 0 368.231 2.529 20 5 FFBDRO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC001262050079 1041531680 /nfs/dbraw/zinc/53/16/80/1041531680.db2.gz QPOUGEYINUAFIZ-HXUWFJFHSA-N 1 0 372.469 2.801 20 5 FFBDRO CN(CCCN1CC[NH+](C)CC1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001262554881 1041717291 /nfs/dbraw/zinc/71/72/91/1041717291.db2.gz VLOGEAULNQUWHS-UHFFFAOYSA-N 1 0 360.380 2.687 20 5 FFBDRO COc1c(C)ccc(-c2nc(-c3ccc4c(n3)CC[NH2+]C4)no2)c1[N+](=O)[O-] ZINC001216399413 1042017396 /nfs/dbraw/zinc/01/73/96/1042017396.db2.gz UMAPBSOWBVMMFX-UHFFFAOYSA-N 1 0 367.365 2.670 20 5 FFBDRO CCn1c([C@@H](C)[N+](=O)[O-])nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001263020934 1042039228 /nfs/dbraw/zinc/03/92/28/1042039228.db2.gz GVRVSUZCOKDFCK-HZPDHXFCSA-N 1 0 364.494 2.584 20 5 FFBDRO C[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CC[C@@H]1C[NH3+] ZINC001263213629 1042175885 /nfs/dbraw/zinc/17/58/85/1042175885.db2.gz APZQSVXUKBWVIB-RKDXNWHRSA-N 1 0 374.210 2.553 20 5 FFBDRO CC(C)C[C@H]1CN(C)CCN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC001538539483 1070449612 /nfs/dbraw/zinc/44/96/12/1070449612.db2.gz HPMCTZGEPGXKKT-KRWDZBQOSA-N 1 0 374.485 2.997 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC(C)(C)[NH2+]C(C)(C)C2)cc1C ZINC001309960490 1043611212 /nfs/dbraw/zinc/61/12/12/1043611212.db2.gz PCXWTJCDZWBWID-UHFFFAOYSA-N 1 0 369.487 2.753 20 5 FFBDRO C[C@H](C(=O)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1)N(C)C ZINC001539142786 1070567277 /nfs/dbraw/zinc/56/72/77/1070567277.db2.gz REYKMSLEUUSKIM-GFCCVEGCSA-N 1 0 357.366 2.703 20 5 FFBDRO CC(C)(C)[NH+]1CCN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC001319239191 1045079524 /nfs/dbraw/zinc/07/95/24/1045079524.db2.gz BDHLTOMHDNMKOH-UHFFFAOYSA-N 1 0 354.838 2.874 20 5 FFBDRO CC(C)[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ccc2cc[nH]c2c1 ZINC001317686543 1045119370 /nfs/dbraw/zinc/11/93/70/1045119370.db2.gz QFHKFZUOVWMRBZ-SJLPKXTDSA-N 1 0 358.442 2.550 20 5 FFBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[NH+](C(C)(C)C)CC1 ZINC001319907548 1045300068 /nfs/dbraw/zinc/30/00/68/1045300068.db2.gz MTGSTMGPOBOOPI-LBPRGKRZSA-N 1 0 368.865 2.991 20 5 FFBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccc(F)cc1OC(F)F ZINC001319932374 1045307157 /nfs/dbraw/zinc/30/71/57/1045307157.db2.gz MCCQBGACDKJXLJ-JTQLQIEISA-N 1 0 371.315 2.848 20 5 FFBDRO Cn1cc(N2CC[C@@H]([NH2+][C@H]3CC(C)(C)c4ccc([N+](=O)[O-])cc43)C2)cn1 ZINC001320989856 1045508088 /nfs/dbraw/zinc/50/80/88/1045508088.db2.gz UPODGLGUWPUVFD-ACJLOTCBSA-N 1 0 355.442 2.919 20 5 FFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](CO)CC1CCOCC1 ZINC001321013961 1045512975 /nfs/dbraw/zinc/51/29/75/1045512975.db2.gz ARTNSAKABKHZGU-RDJZCZTQSA-N 1 0 350.459 2.931 20 5 FFBDRO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001323743046 1045706911 /nfs/dbraw/zinc/70/69/11/1045706911.db2.gz RUTVJQXGRLAMSY-UHFFFAOYSA-N 1 0 364.365 2.766 20 5 FFBDRO CC[NH+](CC)C1CCN(Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)CC1 ZINC001322075499 1045945267 /nfs/dbraw/zinc/94/52/67/1045945267.db2.gz VGCZJZCGAMCLNO-UHFFFAOYSA-N 1 0 358.446 2.617 20 5 FFBDRO Cc1c(C(=O)NCc2ccccc2N2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC001322468073 1046095776 /nfs/dbraw/zinc/09/57/76/1046095776.db2.gz BGVMHPKBLLFGNX-UHFFFAOYSA-N 1 0 368.437 2.585 20 5 FFBDRO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC001322682265 1046179264 /nfs/dbraw/zinc/17/92/64/1046179264.db2.gz ZVMIAMMMJPPDEH-HOTGVXAUSA-N 1 0 360.458 2.798 20 5 FFBDRO C[C@@H](C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)CN(C)C(=O)OC(C)(C)C ZINC001325872185 1046669564 /nfs/dbraw/zinc/66/95/64/1046669564.db2.gz UCOAYQHRKDYLGT-BBRMVZONSA-N 1 0 367.446 2.721 20 5 FFBDRO Cc1cncc([N+](=O)[O-])c1NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC001326362859 1046900033 /nfs/dbraw/zinc/90/00/33/1046900033.db2.gz NKZUKRQJCPLPCJ-UHFFFAOYSA-N 1 0 369.469 2.734 20 5 FFBDRO C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC001288991745 1047555013 /nfs/dbraw/zinc/55/50/13/1047555013.db2.gz ZJRUDJZMDJOQBJ-HNNXBMFYSA-N 1 0 369.425 2.529 20 5 FFBDRO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC001331382372 1047903914 /nfs/dbraw/zinc/90/39/14/1047903914.db2.gz QFDRSMJIMVFEDV-KBPBESRZSA-N 1 0 372.347 2.650 20 5 FFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC001328398764 1048287261 /nfs/dbraw/zinc/28/72/61/1048287261.db2.gz MYJFJKPWYKOHAL-CYBMUJFWSA-N 1 0 372.391 2.735 20 5 FFBDRO COCCN1[C@H](C)CN(C(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)C[C@@H]1C ZINC001328423110 1048296366 /nfs/dbraw/zinc/29/63/66/1048296366.db2.gz QPIXNSZUUOSZAG-BETUJISGSA-N 1 0 369.849 2.738 20 5 FFBDRO Nc1ncc(C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)cc1[N+](=O)[O-] ZINC001540757856 1070988819 /nfs/dbraw/zinc/98/88/19/1070988819.db2.gz WERBWPZUWZPPJO-UHFFFAOYSA-N 1 0 355.398 2.810 20 5 FFBDRO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@H+](CCc4ccns4)CC3)nc2c1 ZINC001332872836 1048601437 /nfs/dbraw/zinc/60/14/37/1048601437.db2.gz WSLOLKXHVYZDHG-UHFFFAOYSA-N 1 0 372.454 2.682 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[NH2+]CCC12CCC2 ZINC001333235088 1048773591 /nfs/dbraw/zinc/77/35/91/1048773591.db2.gz GVOLJHCPBBWIRH-LBPRGKRZSA-N 1 0 367.833 2.760 20 5 FFBDRO Cc1nn(CN2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC001333845340 1049142295 /nfs/dbraw/zinc/14/22/95/1049142295.db2.gz UCOPLFNUNNCMAZ-ZWKOTPCHSA-N 1 0 355.442 2.511 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@@H]3c3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC001333928663 1049172100 /nfs/dbraw/zinc/17/21/00/1049172100.db2.gz KRUNVKIGAQXEBF-LMCLKVLCSA-N 1 0 357.454 2.887 20 5 FFBDRO CCC1([NH3+])CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC001330969205 1049417384 /nfs/dbraw/zinc/41/73/84/1049417384.db2.gz RMAWHBZTADCPIL-UHFFFAOYSA-N 1 0 356.220 2.701 20 5 FFBDRO Cc1nc([N+](=O)[O-])cn1CCc1nnc([C@H](C)C[NH+]2CCC(C)CC2)o1 ZINC001341582437 1050208784 /nfs/dbraw/zinc/20/87/84/1050208784.db2.gz UQXDGHIIVJPZBQ-CYBMUJFWSA-N 1 0 362.434 2.561 20 5 FFBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC001342267060 1050858865 /nfs/dbraw/zinc/85/88/65/1050858865.db2.gz NUWIFDZSCWRUSV-UHFFFAOYSA-N 1 0 357.435 2.892 20 5 FFBDRO C[NH+](C)[C@@H]1C[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C12CCC2 ZINC001301550238 1050919686 /nfs/dbraw/zinc/91/96/86/1050919686.db2.gz ZMKRKKTYUFWEER-HUUCEWRRSA-N 1 0 351.834 2.780 20 5 FFBDRO O=[N+]([O-])c1cc(-c2nc([C@@H]3C[NH+]4CCC3CC4)no2)ccc1-n1ccnc1 ZINC001342547522 1051150948 /nfs/dbraw/zinc/15/09/48/1051150948.db2.gz YXBGRFQQPXTSFG-CQSZACIVSA-N 1 0 366.381 2.640 20 5 FFBDRO C[NH+](C)CCN(Cc1ccccc1F)C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001542367788 1071219910 /nfs/dbraw/zinc/21/99/10/1071219910.db2.gz RZHYAOYFUBUSLS-UHFFFAOYSA-N 1 0 360.389 2.520 20 5 FFBDRO CCn1c(-c2c[nH]c([N+](=O)[O-])c2)nnc1N1CCC(C)([NH+]2CCCC2)CC1 ZINC001341083415 1051427567 /nfs/dbraw/zinc/42/75/67/1051427567.db2.gz BAGDTUWYPRYHDL-UHFFFAOYSA-N 1 0 373.461 2.656 20 5 FFBDRO C[C@H](CNC(=O)C1(C(F)(F)F)CC[NH2+]CC1)c1ccccc1[N+](=O)[O-] ZINC001342833167 1051441665 /nfs/dbraw/zinc/44/16/65/1051441665.db2.gz QXVSMFCJUCYRCR-LLVKDONJSA-N 1 0 359.348 2.747 20 5 FFBDRO O=C(c1cccc([N+](=O)[O-])c1)N1C[C@H](C[C@@H]2COCC[NH2+]2)c2ccccc21 ZINC001342875893 1051485031 /nfs/dbraw/zinc/48/50/31/1051485031.db2.gz OXFVDYBTSXVXIW-JKSUJKDBSA-N 1 0 367.405 2.717 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@H]2CN(c3ccc([N+](=O)[O-])cc3C(=O)NC3CC3)C[C@H]2C1 ZINC001343305943 1052150660 /nfs/dbraw/zinc/15/06/60/1052150660.db2.gz MINIHGHEXDKELO-SQWLQELKSA-N 1 0 372.469 2.654 20 5 FFBDRO CC[C@@H](c1ccccc1)[NH+]1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC001306979638 1052230537 /nfs/dbraw/zinc/23/05/37/1052230537.db2.gz YJXHWPWUOSGKLG-SFHVURJKSA-N 1 0 368.437 2.967 20 5 FFBDRO CC(C)(NC(=O)Nc1cccc(OCC[NH3+])c1)c1ccc([N+](=O)[O-])cc1 ZINC001345114501 1052266225 /nfs/dbraw/zinc/26/62/25/1052266225.db2.gz AACYHEYKQPKWOK-UHFFFAOYSA-N 1 0 358.398 2.989 20 5 FFBDRO O=C(c1cccc2c1OCC[NH2+]C2)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001343526420 1052284034 /nfs/dbraw/zinc/28/40/34/1052284034.db2.gz OKFRJKIQAGIEQS-UHFFFAOYSA-N 1 0 367.405 2.882 20 5 FFBDRO COC(=O)[C@H]1C[C@@H](C(F)(F)F)C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC001307929656 1052367481 /nfs/dbraw/zinc/36/74/81/1052367481.db2.gz OQAXSHPXCOMRQK-QWHCGFSZSA-N 1 0 360.332 2.811 20 5 FFBDRO COc1ccccc1C[C@@](C)(CO)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC001308035493 1052388886 /nfs/dbraw/zinc/38/88/86/1052388886.db2.gz ISDXEHYJFHIMQN-IBGZPJMESA-N 1 0 360.410 2.566 20 5 FFBDRO C[C@@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccc2c(c1)CCO2 ZINC001308118771 1052411737 /nfs/dbraw/zinc/41/17/37/1052411737.db2.gz LHMITRIVORSLLF-CYBMUJFWSA-N 1 0 367.405 2.770 20 5 FFBDRO CC[C@@H]1CCC[C@@H](C[NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC001308258639 1052438688 /nfs/dbraw/zinc/43/86/88/1052438688.db2.gz AEPWVWZKFDOFPK-HUUCEWRRSA-N 1 0 369.487 2.679 20 5 FFBDRO O=[N+]([O-])c1cccc(Br)c1C[NH2+]CCCOC[C@H]1CCOC1 ZINC001308282594 1052441607 /nfs/dbraw/zinc/44/16/07/1052441607.db2.gz RMGGUJLJDVMFLZ-GFCCVEGCSA-N 1 0 373.247 2.890 20 5 FFBDRO CCN(CC[NH2+]Cc1cc(OC)c(O)cc1[N+](=O)[O-])CCC(F)(F)F ZINC001308368671 1052451811 /nfs/dbraw/zinc/45/18/11/1052451811.db2.gz AQLQTPXSNBLEQA-UHFFFAOYSA-N 1 0 365.352 2.673 20 5 FFBDRO Cc1cc(C(=O)N[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc([N+](=O)[O-])c1 ZINC001345560172 1052509805 /nfs/dbraw/zinc/50/98/05/1052509805.db2.gz NJGBETPCFNYBAT-FXAWDEMLSA-N 1 0 367.405 2.889 20 5 FFBDRO COc1cc(C(=O)N2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)c([N+](=O)[O-])cc1F ZINC001335225970 1053263222 /nfs/dbraw/zinc/26/32/22/1053263222.db2.gz GCEMDPKQQFWNGI-XQQFMLRXSA-N 1 0 365.405 2.545 20 5 FFBDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)C[C@H]2C1 ZINC001335234875 1053266301 /nfs/dbraw/zinc/26/63/01/1053266301.db2.gz PFGTWSJLUQOYTR-BFYDXBDKSA-N 1 0 372.469 2.971 20 5 FFBDRO C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001335339780 1053304707 /nfs/dbraw/zinc/30/47/07/1053304707.db2.gz WFICJGMJUALESS-DVOMOZLQSA-N 1 0 367.446 2.910 20 5 FFBDRO Cc1nnc(N(C)Cc2ccccc2[N+](=O)[O-])n1CCC[NH+]1CCCC1 ZINC001543150926 1071396841 /nfs/dbraw/zinc/39/68/41/1071396841.db2.gz OWQXNWHMDXZUOZ-UHFFFAOYSA-N 1 0 358.446 2.617 20 5 FFBDRO CC[C@](O)(CCC(F)(F)F)C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001336061233 1053740649 /nfs/dbraw/zinc/74/06/49/1053740649.db2.gz QGKWPQXJSWXTFE-KBPBESRZSA-N 1 0 350.337 2.701 20 5 FFBDRO Cc1nn(C[N@@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)c2ncc([N+](=O)[O-])cc12 ZINC001347244899 1053753284 /nfs/dbraw/zinc/75/32/84/1053753284.db2.gz WPHNJLNRLUZLGG-PBHICJAKSA-N 1 0 359.430 2.887 20 5 FFBDRO C[C@@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cn1 ZINC001336815211 1054251011 /nfs/dbraw/zinc/25/10/11/1054251011.db2.gz ZHBVHGVSMCPBQT-RISCZKNCSA-N 1 0 351.790 2.734 20 5 FFBDRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001543376031 1071462612 /nfs/dbraw/zinc/46/26/12/1071462612.db2.gz UUIQXGAIDAWVLE-IHPCNDPISA-N 1 0 367.449 2.987 20 5 FFBDRO CN(C(=O)CN1CCC[C@@](O)(c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC001348233358 1054561860 /nfs/dbraw/zinc/56/18/60/1054561860.db2.gz BPEKOZWDQIDOEN-FQEVSTJZSA-N 1 0 369.421 2.541 20 5 FFBDRO Nc1cc([N+](=O)[O-])ccc1C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC001543570105 1071501446 /nfs/dbraw/zinc/50/14/46/1071501446.db2.gz IYHGTQHGFVHQAB-UHFFFAOYSA-N 1 0 368.437 2.614 20 5 FFBDRO O=[N+]([O-])c1ccc2nc(N3CCC([NH2+]C4CCOCC4)CC3)ccc2c1 ZINC001348743378 1054894679 /nfs/dbraw/zinc/89/46/79/1054894679.db2.gz ZCEOBRQYJBAWIW-UHFFFAOYSA-N 1 0 356.426 2.880 20 5 FFBDRO Cn1ccnc1C[C@H]1CCCN(c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)C1 ZINC001351779766 1054995581 /nfs/dbraw/zinc/99/55/81/1054995581.db2.gz CFDFWHQRZXFSNA-SNVBAGLBSA-N 1 0 372.351 2.540 20 5 FFBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000847176524 1055183998 /nfs/dbraw/zinc/18/39/98/1055183998.db2.gz BXVLQIZKDDWJTR-MCZUYUKXSA-N 1 0 361.442 2.612 20 5 FFBDRO CCn1c(-c2ccc([N+](=O)[O-])o2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001356350463 1055466489 /nfs/dbraw/zinc/46/64/89/1055466489.db2.gz BSWYXRVZINGTFF-CYBMUJFWSA-N 1 0 360.418 2.531 20 5 FFBDRO CCn1c(-c2ccc([N+](=O)[O-])o2)nnc1N1CCC(CC)([NH+]2CCC2)CC1 ZINC001356353054 1055467656 /nfs/dbraw/zinc/46/76/56/1055467656.db2.gz WZMACLYBOILDKN-UHFFFAOYSA-N 1 0 374.445 2.921 20 5 FFBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)Cc3ccsc3)c2)CC1 ZINC001349896319 1055527049 /nfs/dbraw/zinc/52/70/49/1055527049.db2.gz OWRNXBAFOCGSAY-UHFFFAOYSA-N 1 0 360.439 2.589 20 5 FFBDRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000847445702 1055791890 /nfs/dbraw/zinc/79/18/90/1055791890.db2.gz DMJNCSPGKWHZEB-AEFFLSMTSA-N 1 0 358.442 2.679 20 5 FFBDRO [NH3+]CCCCCCC(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC001353145857 1056121134 /nfs/dbraw/zinc/12/11/34/1056121134.db2.gz GFBPKEYFLUQYKL-UHFFFAOYSA-N 1 0 358.236 2.883 20 5 FFBDRO COc1cc(C(=O)OCC[C@@H]2CC[N@H+](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000847828277 1058175078 /nfs/dbraw/zinc/17/50/78/1058175078.db2.gz PSCGJHQQRBCOJX-JTQLQIEISA-N 1 0 374.340 2.703 20 5 FFBDRO C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])c2ccccc12)[C@@H]1C[N@H+](C)CCN1C ZINC001517886771 1058189310 /nfs/dbraw/zinc/18/93/10/1058189310.db2.gz BEPPJRRCCDGVEF-ACJLOTCBSA-N 1 0 371.441 2.504 20 5 FFBDRO Nc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001444270495 1058290054 /nfs/dbraw/zinc/29/00/54/1058290054.db2.gz ZPBJCZHBZAOWGL-INIZCTEOSA-N 1 0 354.410 2.571 20 5 FFBDRO CC[C@H](C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)N1CCO[C@H](CC)C1 ZINC001445407700 1058400764 /nfs/dbraw/zinc/40/07/64/1058400764.db2.gz BGQVAGSLKYEDKF-IAGOWNOFSA-N 1 0 363.458 2.836 20 5 FFBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)C[C@@H]3C[C@H]3C3CC3)c2)CC1 ZINC001518549755 1058419264 /nfs/dbraw/zinc/41/92/64/1058419264.db2.gz OGGSUSNHLLURLT-HOCLYGCPSA-N 1 0 358.442 2.721 20 5 FFBDRO CCNc1ccc(C(=O)N2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC001518680399 1058459341 /nfs/dbraw/zinc/45/93/41/1058459341.db2.gz WTDZNHHWAUUNAV-ARFHVFGLSA-N 1 0 360.458 2.829 20 5 FFBDRO C[C@H](COC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000847964107 1058533703 /nfs/dbraw/zinc/53/37/03/1058533703.db2.gz XERZYSDILGIIBT-CYBMUJFWSA-N 1 0 365.386 2.853 20 5 FFBDRO Cn1c(-c2csc([N+](=O)[O-])c2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001519415575 1058740480 /nfs/dbraw/zinc/74/04/80/1058740480.db2.gz FOBXAVDAJWJDSA-UHFFFAOYSA-N 1 0 364.475 2.762 20 5 FFBDRO CCC1([NH2+]CCCCC(F)(F)F)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001502494532 1058863311 /nfs/dbraw/zinc/86/33/11/1058863311.db2.gz HMNVGRWUJNOXHU-CHWSQXEVSA-N 1 0 365.396 2.745 20 5 FFBDRO Cc1n[nH]c(C(=O)N[C@@H]2c3ccccc3CC[C@@H]2[NH+]2CCCC2)c1[N+](=O)[O-] ZINC001452104446 1059183851 /nfs/dbraw/zinc/18/38/51/1059183851.db2.gz DZVHPLVCAXRZNR-JKSUJKDBSA-N 1 0 369.425 2.508 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)C1 ZINC001453319509 1059357799 /nfs/dbraw/zinc/35/77/99/1059357799.db2.gz GZOZEGKECFDRLD-QMMMGPOBSA-N 1 0 358.801 2.572 20 5 FFBDRO O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001454574220 1059568312 /nfs/dbraw/zinc/56/83/12/1059568312.db2.gz APJLSOSLIMKWCJ-AWEZNQCLSA-N 1 0 359.813 2.905 20 5 FFBDRO Cc1[nH]nc(C(=O)Nc2ccc(C[NH+](C)C)c(C(F)(F)F)c2)c1[N+](=O)[O-] ZINC001455650622 1059851555 /nfs/dbraw/zinc/85/15/55/1059851555.db2.gz QPNAKPZSGZEXOM-UHFFFAOYSA-N 1 0 371.319 2.959 20 5 FFBDRO CCOC[C@@H]1CCC[N@H+](CN2CC[C@@H](c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000848478909 1060110535 /nfs/dbraw/zinc/11/05/35/1060110535.db2.gz OLBKVWSTNFFWAH-QAPCUYQASA-N 1 0 361.442 2.617 20 5 FFBDRO O=C1[C@H](c2ccc([N+](=O)[O-])cc2)CCN1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000848490364 1060146680 /nfs/dbraw/zinc/14/66/80/1060146680.db2.gz ZZLOHHNZLUQQRG-NZSAHSFTSA-N 1 0 373.453 2.759 20 5 FFBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)C(F)(F)Oc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000848584810 1060314218 /nfs/dbraw/zinc/31/42/18/1060314218.db2.gz ISXIXAZOMNXWMO-WFASDCNBSA-N 1 0 369.368 2.509 20 5 FFBDRO O=C(NC[C@@]12CC[N@H+](C1)CCC2)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC001521726368 1061095715 /nfs/dbraw/zinc/09/57/15/1061095715.db2.gz FPVCAKSOVLYFDJ-HXUWFJFHSA-N 1 0 372.469 2.801 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCO[C@@H](c2ccccc2)CC1 ZINC001460950412 1061163214 /nfs/dbraw/zinc/16/32/14/1061163214.db2.gz QJOYLRZOCFTFAW-IEBWSBKVSA-N 1 0 372.421 2.798 20 5 FFBDRO C[C@@H]1CCC[C@H]1NC(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001477129994 1061594675 /nfs/dbraw/zinc/59/46/75/1061594675.db2.gz AGOBHMCLMPOZDL-UKRRQHHQSA-N 1 0 361.446 2.657 20 5 FFBDRO CN(CC(=O)NC1CCC(C)([NH+]2CCCC2)CC1)c1ccccc1[N+](=O)[O-] ZINC001462821538 1061792030 /nfs/dbraw/zinc/79/20/30/1061792030.db2.gz MBMGFDYDFMWCDY-UHFFFAOYSA-N 1 0 374.485 2.944 20 5 FFBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CC[C@H](C[NH3+])[C@H](C)C2)CC1 ZINC001523028712 1062364353 /nfs/dbraw/zinc/36/43/53/1062364353.db2.gz QAQOFMKSADQKBV-HZPDHXFCSA-N 1 0 374.485 2.888 20 5 FFBDRO O=C(N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1csc([N+](=O)[O-])c1 ZINC001523539149 1062512613 /nfs/dbraw/zinc/51/26/13/1062512613.db2.gz YMGJHLJSKDZJKK-SUMWQHHRSA-N 1 0 359.407 2.642 20 5 FFBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)C1 ZINC001523937364 1062662799 /nfs/dbraw/zinc/66/27/99/1062662799.db2.gz OAXFGAUQLKXQTO-KGLIPLIRSA-N 1 0 356.426 2.933 20 5 FFBDRO Cc1cc(CNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)cc(C)n1 ZINC001436886391 1062794370 /nfs/dbraw/zinc/79/43/70/1062794370.db2.gz SOGVMQMQSNSLRB-UHFFFAOYSA-N 1 0 351.366 2.722 20 5 FFBDRO Cc1c(NC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC001466389166 1063419518 /nfs/dbraw/zinc/41/95/18/1063419518.db2.gz QGYUZBMVUBEFFF-MWLCHTKSSA-N 1 0 371.235 2.880 20 5 FFBDRO Cc1c(NC(=O)N[C@@H]2CC[N@H+](C)[C@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC001466389164 1063419793 /nfs/dbraw/zinc/41/97/93/1063419793.db2.gz QGYUZBMVUBEFFF-GXSJLCMTSA-N 1 0 371.235 2.880 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001470964453 1064510054 /nfs/dbraw/zinc/51/00/54/1064510054.db2.gz XEHFDCCPMYBSEL-QGZVFWFLSA-N 1 0 353.422 2.868 20 5 FFBDRO CC(C)[NH2+][C@H]1CCCN(C(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)C1 ZINC001472501309 1065082341 /nfs/dbraw/zinc/08/23/41/1065082341.db2.gz UXYORMOJDBBCBA-AWEZNQCLSA-N 1 0 356.426 2.933 20 5 FFBDRO COc1cccc(C[C@@H]2CN(c3c([N+](=O)[O-])cccc3[N+](=O)[O-])CC[NH2+]2)c1 ZINC001472907067 1065172192 /nfs/dbraw/zinc/17/21/92/1065172192.db2.gz ZEQSFBQULNFVKF-CQSZACIVSA-N 1 0 372.381 2.533 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CC[NH2+][C@H](Cc3ccc(F)cc3)C2)c([N+](=O)[O-])c1 ZINC001472906984 1065172543 /nfs/dbraw/zinc/17/25/43/1065172543.db2.gz XHISVCDADYPOGD-CQSZACIVSA-N 1 0 360.345 2.663 20 5 FFBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1cc(-c2nn[nH]n2)ccc1[N+](=O)[O-] ZINC001575969126 1078182797 /nfs/dbraw/zinc/18/27/97/1078182797.db2.gz IZGUHVWIDGVQFT-FRRDWIJNSA-N 1 0 359.434 2.553 20 5 FFBDRO CCCN(CC[NH+]1CCCCC1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC001473461964 1065268204 /nfs/dbraw/zinc/26/82/04/1065268204.db2.gz CQRAWHODJBBLFW-LJQANCHMSA-N 1 0 374.485 2.898 20 5 FFBDRO C[C@H]([NH3+])[C@@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2[C@@H]2C[C@H]2C)C1 ZINC001576121015 1078198265 /nfs/dbraw/zinc/19/82/65/1078198265.db2.gz ZKNHFFCTPFSMMI-IARIHHJXSA-N 1 0 370.457 2.998 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@@H]3OCc4ccccc43)CC2)cn1 ZINC001474751020 1065595894 /nfs/dbraw/zinc/59/58/94/1065595894.db2.gz GQIXPHODWVWTQE-SFHVURJKSA-N 1 0 354.410 2.820 20 5 FFBDRO CC1=CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCC[NH3+])CC1 ZINC001576563856 1078245001 /nfs/dbraw/zinc/24/50/01/1078245001.db2.gz ZYRGFLJFROWEHA-UHFFFAOYSA-N 1 0 356.430 2.749 20 5 FFBDRO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)CC[NH2+]1 ZINC001576789829 1078275008 /nfs/dbraw/zinc/27/50/08/1078275008.db2.gz HFKVVRHOMXVELC-CQSZACIVSA-N 1 0 354.410 2.641 20 5 FFBDRO C[NH2+]CCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](C)[C@H](C)C1 ZINC001578694191 1078518458 /nfs/dbraw/zinc/51/84/58/1078518458.db2.gz LANNQMROZDCOKN-LSDHHAIUSA-N 1 0 372.473 2.945 20 5 FFBDRO O=C(c1coc([C@@H]2CCC[NH2+]2)n1)N1CCCCc2ccc([N+](=O)[O-])cc21 ZINC001580832531 1078875862 /nfs/dbraw/zinc/87/58/62/1078875862.db2.gz XVSDZKHXNVCTSQ-AWEZNQCLSA-N 1 0 356.382 2.990 20 5 FFBDRO O=C(c1ccc(C[NH+]2CCCC2)o1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001556209275 1075716400 /nfs/dbraw/zinc/71/64/00/1075716400.db2.gz MSVXBHZCUPAJOX-UHFFFAOYSA-N 1 0 371.393 2.687 20 5 FFBDRO CC(C)[N@H+](C)Cc1cccc(CNC(=O)c2ccc([N+](=O)[O-])cc2N)c1 ZINC001585504087 1079469574 /nfs/dbraw/zinc/46/95/74/1079469574.db2.gz ZOPRZLLNNRJBJY-UHFFFAOYSA-N 1 0 356.426 2.947 20 5 FFBDRO C[C@@H]1C[C@@H]2CC[C@H](C(=O)NCc3cc([N+](=O)[O-])c(F)cc3F)C[N@@H+]2C1 ZINC001557207949 1075822415 /nfs/dbraw/zinc/82/24/15/1075822415.db2.gz GLOGPCTUGLUVII-MDZLAQPJSA-N 1 0 353.369 2.610 20 5 FFBDRO O=[N+]([O-])c1ccc(NC[C@H]2CCCC[N@H+]2CCO)nc1-c1ccccc1 ZINC001559195473 1076134046 /nfs/dbraw/zinc/13/40/46/1076134046.db2.gz KGYNENXXMYYKAN-MRXNPFEDSA-N 1 0 356.426 2.916 20 5 FFBDRO COC(=O)[C@H]1CCCC[C@@H]1C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001559482460 1076165927 /nfs/dbraw/zinc/16/59/27/1076165927.db2.gz DYFHHRAFDBRZTD-QAPCUYQASA-N 1 0 361.442 2.696 20 5 FFBDRO Cc1cccc(C[C@@]2(C)CCC[N@@H+]2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC001560040538 1076216865 /nfs/dbraw/zinc/21/68/65/1076216865.db2.gz SXXRILBUSUTIAY-RTBURBONSA-N 1 0 358.442 2.558 20 5 FFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]C[C@@H]1CCCCN1CCO ZINC001560841075 1076303567 /nfs/dbraw/zinc/30/35/67/1076303567.db2.gz IHSRIFZVUXUXHX-AWEZNQCLSA-N 1 0 361.364 2.550 20 5 FFBDRO Cc1ccc(S(=O)(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)c(C)c1[N+](=O)[O-] ZINC001561248587 1076351876 /nfs/dbraw/zinc/35/18/76/1076351876.db2.gz VOTCLPJQTHYSFQ-HNNXBMFYSA-N 1 0 371.503 2.856 20 5 FFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1C ZINC001586485477 1079638330 /nfs/dbraw/zinc/63/83/30/1079638330.db2.gz VJSXACWYRJUOMP-AUUYWEPGSA-N 1 0 368.437 2.939 20 5 FFBDRO Cc1n[nH]c(C(=O)N[C@@H]2CCCCC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC001587149032 1079745753 /nfs/dbraw/zinc/74/57/53/1079745753.db2.gz HBMUHJWYHVGBCA-MRXNPFEDSA-N 1 0 371.441 2.801 20 5 FFBDRO C[C@@H](CNc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC001589876179 1080823385 /nfs/dbraw/zinc/82/33/85/1080823385.db2.gz PRYJXSYFIUPDEQ-ZDUSSCGKSA-N 1 0 367.413 2.707 20 5 FFBDRO C[C@H](CNc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC001589876178 1080823520 /nfs/dbraw/zinc/82/35/20/1080823520.db2.gz PRYJXSYFIUPDEQ-CYBMUJFWSA-N 1 0 367.413 2.707 20 5 FFBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000285704539 257000378 /nfs/dbraw/zinc/00/03/78/257000378.db2.gz WCMFPMPFWJWKCZ-XJKSGUPXSA-N 1 0 357.414 2.703 20 5 FFBDRO COc1ccc([C@@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)N2CCOCC2)cc1 ZINC000061012999 249604345 /nfs/dbraw/zinc/60/43/45/249604345.db2.gz VEASWPILEPYSHC-HXUWFJFHSA-N 1 0 371.437 2.767 20 5 FFBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000103195068 250138030 /nfs/dbraw/zinc/13/80/30/250138030.db2.gz SWZQBUZBNQJJAQ-LLVKDONJSA-N 1 0 355.460 2.785 20 5 FFBDRO CCOc1ccc([C@@H](C)[NH2+]C2CCN(C(=O)OC)CC2)cc1[N+](=O)[O-] ZINC000153177111 251109913 /nfs/dbraw/zinc/10/99/13/251109913.db2.gz FSDITKDOCBJWQJ-GFCCVEGCSA-N 1 0 351.403 2.875 20 5 FFBDRO CC[C@@H]1CN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CCN1CC(F)F ZINC000153389646 251132376 /nfs/dbraw/zinc/13/23/76/251132376.db2.gz FBFQPAIIENILOY-CQSZACIVSA-N 1 0 371.384 2.623 20 5 FFBDRO C[C@H]1C[C@@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000181188334 251255603 /nfs/dbraw/zinc/25/56/03/251255603.db2.gz QOTVUNXNUTWXRY-DZGCQCFKSA-N 1 0 354.410 2.570 20 5 FFBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1 ZINC000272310184 252006206 /nfs/dbraw/zinc/00/62/06/252006206.db2.gz IEGRNBKNMPZHMF-ZDUSSCGKSA-N 1 0 355.385 2.781 20 5 FFBDRO Cn1ccnc1[C@H](NCCC[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000272486459 252049155 /nfs/dbraw/zinc/04/91/55/252049155.db2.gz DAQXMCMMENPWAO-GOSISDBHSA-N 1 0 357.458 2.883 20 5 FFBDRO C[C@H](NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C1=CC[N@H+](C)CC1 ZINC000272621513 252082259 /nfs/dbraw/zinc/08/22/59/252082259.db2.gz ACMABCURDTYAEJ-JTQLQIEISA-N 1 0 357.332 2.994 20 5 FFBDRO COc1ccc(NC(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)cc1[N+](=O)[O-] ZINC000272843894 252145134 /nfs/dbraw/zinc/14/51/34/252145134.db2.gz PDOBWHGUDKQKEK-ZDUSSCGKSA-N 1 0 350.419 2.703 20 5 FFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC1(S(C)(=O)=O)CCCC1 ZINC000285731151 257001598 /nfs/dbraw/zinc/00/15/98/257001598.db2.gz QSPDRHYVLVBPJK-AWEZNQCLSA-N 1 0 354.472 2.863 20 5 FFBDRO C[NH+](C)CC(C)(C)CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000055413634 221069240 /nfs/dbraw/zinc/06/92/40/221069240.db2.gz DLVYKHKPSYWWKO-UHFFFAOYSA-N 1 0 365.477 2.859 20 5 FFBDRO C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1nc2ccccc2n1C(F)F ZINC000275509015 256017607 /nfs/dbraw/zinc/01/76/07/256017607.db2.gz WTGLYMMEUVYUTQ-SNVBAGLBSA-N 1 0 350.329 2.887 20 5 FFBDRO O=C(CC[N@@H+]1CCC2(C1)CCOCC2)Nc1cc([N+](=O)[O-])ccc1F ZINC000275533898 256021052 /nfs/dbraw/zinc/02/10/52/256021052.db2.gz XZAUFESQQCGOQM-UHFFFAOYSA-N 1 0 351.378 2.565 20 5 FFBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000285755340 257003032 /nfs/dbraw/zinc/00/30/32/257003032.db2.gz ZBJSRIKNICGOLO-TZMCWYRMSA-N 1 0 366.849 2.745 20 5 FFBDRO CS[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1[NH+]1CCCC1 ZINC000275703299 256040293 /nfs/dbraw/zinc/04/02/93/256040293.db2.gz JSUVFDOGGPGLNC-GJZGRUSLSA-N 1 0 350.444 2.638 20 5 FFBDRO CCOCCOCC[N@H+](C)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000276159815 256077627 /nfs/dbraw/zinc/07/76/27/256077627.db2.gz HNNYZSWIWMWANJ-UHFFFAOYSA-N 1 0 361.236 2.842 20 5 FFBDRO CCN(CCC[NH+](CC)CC)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000276483064 256104079 /nfs/dbraw/zinc/10/40/79/256104079.db2.gz QZALUOUNWVGAST-UHFFFAOYSA-N 1 0 352.391 2.697 20 5 FFBDRO COc1ccc(CNC(=O)NCC(C)(C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000276527062 256107477 /nfs/dbraw/zinc/10/74/77/256107477.db2.gz GHSAYORCKIKCSA-UHFFFAOYSA-N 1 0 364.446 2.525 20 5 FFBDRO CC(C)(CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C[NH+]1CCCC1 ZINC000276726579 256124744 /nfs/dbraw/zinc/12/47/44/256124744.db2.gz MHCMTHYBCNXTLR-UHFFFAOYSA-N 1 0 358.442 2.857 20 5 FFBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000276729223 256124841 /nfs/dbraw/zinc/12/48/41/256124841.db2.gz SYUZVADSOSRKAW-BETUJISGSA-N 1 0 369.849 2.786 20 5 FFBDRO Cc1nc2sccn2c(=O)c1CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000285769738 257003753 /nfs/dbraw/zinc/00/37/53/257003753.db2.gz WSJNSPOQBJYJEM-LLVKDONJSA-N 1 0 358.423 2.866 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000277615577 256217918 /nfs/dbraw/zinc/21/79/18/256217918.db2.gz QJNXZEXHPGOQDY-UONOGXRCSA-N 1 0 361.442 2.986 20 5 FFBDRO CN(C)C(=O)[C@@H]1CCCN1CCC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278160380 256283144 /nfs/dbraw/zinc/28/31/44/256283144.db2.gz AVIXKCMPLYYDDY-MOPGFXCFSA-N 1 0 374.485 2.505 20 5 FFBDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000278363605 256303732 /nfs/dbraw/zinc/30/37/32/256303732.db2.gz FPRVBLMGLINZAX-LBPRGKRZSA-N 1 0 367.833 2.574 20 5 FFBDRO COC[C@H]([NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000278695086 256338875 /nfs/dbraw/zinc/33/88/75/256338875.db2.gz QJVCUALOQLNEGW-JSGCOSHPSA-N 1 0 359.220 2.641 20 5 FFBDRO CCOC(=O)c1n[nH]c(C2CC[NH+](Cc3ccc(C)c([N+](=O)[O-])c3)CC2)n1 ZINC000278727961 256341676 /nfs/dbraw/zinc/34/16/76/256341676.db2.gz QBOLKNKVYUJNLX-UHFFFAOYSA-N 1 0 373.413 2.578 20 5 FFBDRO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000279174343 256390035 /nfs/dbraw/zinc/39/00/35/256390035.db2.gz CZVDSAVEGZSMRS-AWEZNQCLSA-N 1 0 357.332 2.857 20 5 FFBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000278937572 256364409 /nfs/dbraw/zinc/36/44/09/256364409.db2.gz XEFBOBNBIPATSI-MDJJKAFGSA-N 1 0 373.453 2.710 20 5 FFBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NCC1CC[NH+](C2CC2)CC1 ZINC000278996365 256370027 /nfs/dbraw/zinc/37/00/27/256370027.db2.gz FXIQWPSMYZMHGX-UHFFFAOYSA-N 1 0 356.426 2.540 20 5 FFBDRO C[N@H+]1CC=C(CNC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000279108992 256382700 /nfs/dbraw/zinc/38/27/00/256382700.db2.gz VSZHUNMMZOMIRU-UHFFFAOYSA-N 1 0 372.347 2.675 20 5 FFBDRO CN(CCC[NH+]1CCCC1)C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000281567358 256642716 /nfs/dbraw/zinc/64/27/16/256642716.db2.gz AJIDBQNWINFJLE-UHFFFAOYSA-N 1 0 357.813 2.874 20 5 FFBDRO Cc1cc(N2CCC([NH2+][C@H](C)c3ccc(N)c([N+](=O)[O-])c3)CC2)nc(C)n1 ZINC000284155737 256916484 /nfs/dbraw/zinc/91/64/84/256916484.db2.gz PNBBHOBSWJXPGE-CYBMUJFWSA-N 1 0 370.457 2.903 20 5 FFBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000285544403 256991705 /nfs/dbraw/zinc/99/17/05/256991705.db2.gz LVDQHTCNXILCFN-CJNGLKHVSA-N 1 0 357.414 2.703 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000285599117 256994747 /nfs/dbraw/zinc/99/47/47/256994747.db2.gz PLYPOAPZQIIPDX-WBVHZDCISA-N 1 0 360.458 2.790 20 5 FFBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000287039384 257068731 /nfs/dbraw/zinc/06/87/31/257068731.db2.gz SVKNHUXOTKDYPS-SWLSCSKDSA-N 1 0 366.849 2.745 20 5 FFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC000287100476 257071739 /nfs/dbraw/zinc/07/17/39/257071739.db2.gz QBCPYFVYANGLRV-KBPBESRZSA-N 1 0 372.512 2.880 20 5 FFBDRO O=c1[nH]c(N2CCCC[C@H]([NH+]3CCCC3)C2)nc2ccc([N+](=O)[O-])cc21 ZINC000287172142 257075664 /nfs/dbraw/zinc/07/56/64/257075664.db2.gz GYYKSRZJXRIUET-AWEZNQCLSA-N 1 0 357.414 2.698 20 5 FFBDRO Cn1c(Sc2cc(Cl)ccc2[N+](=O)[O-])nnc1C1CC[NH2+]CC1 ZINC000287276512 257080973 /nfs/dbraw/zinc/08/09/73/257080973.db2.gz LNJHNUQOYAFQCZ-UHFFFAOYSA-N 1 0 353.835 2.995 20 5 FFBDRO CCC[NH+]1CCC(N(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2C)CC1 ZINC000290844935 257360628 /nfs/dbraw/zinc/36/06/28/257360628.db2.gz VYUCYOJLSKAZSS-UHFFFAOYSA-N 1 0 358.446 2.701 20 5 FFBDRO C[C@@H]1CN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC[N@@H+](C2CCC2)C1 ZINC000292062254 257455549 /nfs/dbraw/zinc/45/55/49/257455549.db2.gz WSLYUOXICPTSGL-HNNXBMFYSA-N 1 0 360.458 2.653 20 5 FFBDRO O=C(CCOc1ccccc1[N+](=O)[O-])NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000298764067 257938986 /nfs/dbraw/zinc/93/89/86/257938986.db2.gz DWIYAQMYDDYPJM-INIZCTEOSA-N 1 0 373.409 2.910 20 5 FFBDRO O=C(NC1CC1)c1ccc(N2CCCC[C@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000301199568 258033573 /nfs/dbraw/zinc/03/35/73/258033573.db2.gz PLCPJGQIBOWCKX-KRWDZBQOSA-N 1 0 372.469 2.942 20 5 FFBDRO COc1cc(NCC[NH+]2CCN(c3ccc(F)cc3)CC2)ccc1[N+](=O)[O-] ZINC000301354369 258044464 /nfs/dbraw/zinc/04/44/64/258044464.db2.gz KBFPAGAXCIHDPT-UHFFFAOYSA-N 1 0 374.416 2.977 20 5 FFBDRO CN(C(=O)CN1CCC([NH+]2CCCCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000299633793 258012439 /nfs/dbraw/zinc/01/24/39/258012439.db2.gz OMDZUCPXYNCBHF-UHFFFAOYSA-N 1 0 360.458 2.508 20 5 FFBDRO COc1cccc([C@@H]2[C@H](Nc3ncc([N+](=O)[O-])cn3)CC[N@@H+]2C2CC2)c1 ZINC000302236936 258097123 /nfs/dbraw/zinc/09/71/23/258097123.db2.gz WAFGPRSILACMEN-IAGOWNOFSA-N 1 0 355.398 2.783 20 5 FFBDRO C[C@H]1CN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC[N@@H+]1CC(C)(C)O ZINC000302474730 258103228 /nfs/dbraw/zinc/10/32/28/258103228.db2.gz DQPDCHALEXMLFJ-NSHDSACASA-N 1 0 361.364 2.895 20 5 FFBDRO Cc1ccc(S(=O)(=O)N2C[C@@H](CC[NH3+])c3ccccc32)cc1[N+](=O)[O-] ZINC000327463294 258116072 /nfs/dbraw/zinc/11/60/72/258116072.db2.gz XFIHLZFMBUWDTC-CYBMUJFWSA-N 1 0 361.423 2.545 20 5 FFBDRO C[C@@H](Nc1ccc([N+](=O)[O-])cc1N1CCOC1=O)C(C)(C)C[NH+](C)C ZINC000301619226 258059084 /nfs/dbraw/zinc/05/90/84/258059084.db2.gz BWVCWSKUCXEVKG-GFCCVEGCSA-N 1 0 350.419 2.940 20 5 FFBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000332075793 258212611 /nfs/dbraw/zinc/21/26/11/258212611.db2.gz FWQNKAQGXRRGMH-AAEUAGOBSA-N 1 0 369.368 2.895 20 5 FFBDRO COc1cc(CN2C[C@@H](SC)[C@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])cc1F ZINC000332084504 258213211 /nfs/dbraw/zinc/21/32/11/258213211.db2.gz PUJGYSJWMUZYFR-NVXWUHKLSA-N 1 0 369.462 2.754 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CN1C[C@@H](SC)[C@H]([NH+]2CCCC2)C1 ZINC000332106515 258214411 /nfs/dbraw/zinc/21/44/11/258214411.db2.gz ZPIIKNJTODOBAS-NVXWUHKLSA-N 1 0 351.472 2.615 20 5 FFBDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000332263450 258222092 /nfs/dbraw/zinc/22/20/92/258222092.db2.gz DWEFOFFVOWHERZ-NEPJUHHUSA-N 1 0 355.341 2.553 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000332470226 258231445 /nfs/dbraw/zinc/23/14/45/258231445.db2.gz MYNFBGNBTQAWHU-UHFFFAOYSA-N 1 0 361.442 2.988 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000332529501 258233997 /nfs/dbraw/zinc/23/39/97/258233997.db2.gz GQTRXPFLSDOYRZ-WBVHZDCISA-N 1 0 362.430 2.653 20 5 FFBDRO CC(C)C(=O)N1CCC([NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000331846488 258202728 /nfs/dbraw/zinc/20/27/28/258202728.db2.gz CFPNZUCUQHHHKW-HZPDHXFCSA-N 1 0 363.462 2.512 20 5 FFBDRO COc1cc(C[NH2+][C@@H]2CCO[C@@H]2C2CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000368904111 512129546 /nfs/dbraw/zinc/12/95/46/512129546.db2.gz ILGJDFPMFICSKK-SJKOYZFVSA-N 1 0 372.368 2.904 20 5 FFBDRO C[C@@H](CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)C[NH+]1CCCCC1 ZINC000108695623 222427556 /nfs/dbraw/zinc/42/75/56/222427556.db2.gz JCIQBPJHMPPIAH-HNNXBMFYSA-N 1 0 371.441 2.632 20 5 FFBDRO C[NH+](C)[C@H](CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)c1cccc(F)c1 ZINC000032731275 506286668 /nfs/dbraw/zinc/28/66/68/506286668.db2.gz YXGDPCIZDZWYDX-MRXNPFEDSA-N 1 0 371.372 2.643 20 5 FFBDRO COc1ccc(NC(=O)CC[N@H+](C)Cc2cnc(C)s2)c([N+](=O)[O-])c1 ZINC000053145765 506320362 /nfs/dbraw/zinc/32/03/62/506320362.db2.gz CMBOKLTVCQMQHY-UHFFFAOYSA-N 1 0 364.427 2.829 20 5 FFBDRO CC[NH+]1CCN(c2ccccc2NC(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000037084978 506420549 /nfs/dbraw/zinc/42/05/49/506420549.db2.gz DQWDLSJDFIFFID-UHFFFAOYSA-N 1 0 368.437 2.918 20 5 FFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000054224895 506518502 /nfs/dbraw/zinc/51/85/02/506518502.db2.gz OJGRFUAPHZESPR-HOCLYGCPSA-N 1 0 354.410 2.864 20 5 FFBDRO CC(C)(CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000042159667 506604835 /nfs/dbraw/zinc/60/48/35/506604835.db2.gz VRFYSNZKCQSKJL-UHFFFAOYSA-N 1 0 371.441 2.775 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000043149467 506709382 /nfs/dbraw/zinc/70/93/82/506709382.db2.gz DHUKRCGCIJMSRR-ZIAGYGMSSA-N 1 0 350.419 2.524 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000067052327 506738710 /nfs/dbraw/zinc/73/87/10/506738710.db2.gz DCOWOFMLTGGAPU-UHFFFAOYSA-N 1 0 368.437 2.903 20 5 FFBDRO CC(C)NC(=O)c1ccc(N2CC[NH+](C3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000045026703 506908018 /nfs/dbraw/zinc/90/80/18/506908018.db2.gz UJGMRWGAKGSCDF-UHFFFAOYSA-N 1 0 360.458 2.798 20 5 FFBDRO C[NH+](C)[C@H](CNC(=O)CNc1ccccc1[N+](=O)[O-])c1cccc(F)c1 ZINC000067706378 506983550 /nfs/dbraw/zinc/98/35/50/506983550.db2.gz UCFBUGDBQAQNHN-QGZVFWFLSA-N 1 0 360.389 2.565 20 5 FFBDRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000067806197 507014441 /nfs/dbraw/zinc/01/44/41/507014441.db2.gz ZVXBHANBWNYIKO-KRWDZBQOSA-N 1 0 371.437 2.653 20 5 FFBDRO O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000068133303 507123747 /nfs/dbraw/zinc/12/37/47/507123747.db2.gz DSQKCHLYYHXZCE-CQSZACIVSA-N 1 0 362.386 2.594 20 5 FFBDRO C[NH+](C)[C@H](CNC(=O)NCc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000056950154 507130169 /nfs/dbraw/zinc/13/01/69/507130169.db2.gz QBTCFGDKCIPENN-QGZVFWFLSA-N 1 0 360.389 2.836 20 5 FFBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000068211429 507150972 /nfs/dbraw/zinc/15/09/72/507150972.db2.gz SXJYBPSSZTUDMD-BZUAXINKSA-N 1 0 363.458 2.846 20 5 FFBDRO CCCc1n[nH]c(C(=O)NCc2ccccc2C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000068804112 507330182 /nfs/dbraw/zinc/33/01/82/507330182.db2.gz DQPWMFCFJHQLMK-UHFFFAOYSA-N 1 0 371.441 2.796 20 5 FFBDRO CC1(C)CC(NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC(C)(C)[NH2+]1 ZINC000069044621 507389446 /nfs/dbraw/zinc/38/94/46/507389446.db2.gz MHQUWQQNODQNPP-UHFFFAOYSA-N 1 0 364.446 2.582 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@H]1C[NH+]1CCCCC1 ZINC000069077603 507398513 /nfs/dbraw/zinc/39/85/13/507398513.db2.gz NTORXRKDTBVQGT-INIZCTEOSA-N 1 0 360.458 2.792 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2noc(CN3CCC(C[NH+]4CCCC4)CC3)n2)c1 ZINC000047970112 507426006 /nfs/dbraw/zinc/42/60/06/507426006.db2.gz XKJYTEOPAXZXTF-UHFFFAOYSA-N 1 0 371.441 2.953 20 5 FFBDRO C[NH+](C)CCN(Cc1ccccc1F)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000058991609 507489495 /nfs/dbraw/zinc/48/94/95/507489495.db2.gz FFNQXTMGJJTVBB-UHFFFAOYSA-N 1 0 351.403 2.999 20 5 FFBDRO O=C(CC[N@@H+]1CC[C@@H](c2nc(C3CC3)no2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000375465378 512343332 /nfs/dbraw/zinc/34/33/32/512343332.db2.gz IGJLCMBWTGEASU-CYBMUJFWSA-N 1 0 371.397 2.673 20 5 FFBDRO O=C(C[N@@H+](CCO)C1CCCCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000071080360 507692763 /nfs/dbraw/zinc/69/27/63/507692763.db2.gz BXBLLYZGMWVNCS-UHFFFAOYSA-N 1 0 355.822 2.814 20 5 FFBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000028049708 507704810 /nfs/dbraw/zinc/70/48/10/507704810.db2.gz QFQJHWIVFZDMNQ-UHFFFAOYSA-N 1 0 369.487 2.836 20 5 FFBDRO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000051049556 507728076 /nfs/dbraw/zinc/72/80/76/507728076.db2.gz NQLVPFXVEBTJCG-HZPDHXFCSA-N 1 0 363.458 2.990 20 5 FFBDRO COCC[N@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)Cc1ccco1 ZINC000063496322 507738596 /nfs/dbraw/zinc/73/85/96/507738596.db2.gz ISBHBFBHHYQDML-UHFFFAOYSA-N 1 0 361.398 2.973 20 5 FFBDRO O=C(NC1CC[NH+](C2CC2)CC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000029091673 507757503 /nfs/dbraw/zinc/75/75/03/507757503.db2.gz IMEXXUKWMCXZMG-UHFFFAOYSA-N 1 0 358.442 2.552 20 5 FFBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000051341618 507763028 /nfs/dbraw/zinc/76/30/28/507763028.db2.gz HZNYDNYNSCJMFG-AWEZNQCLSA-N 1 0 360.439 2.932 20 5 FFBDRO CC(C)[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)[NH+]1CCC(C)CC1 ZINC000063783824 507770693 /nfs/dbraw/zinc/77/06/93/507770693.db2.gz OALCXAUDMVFASQ-INIZCTEOSA-N 1 0 366.437 2.802 20 5 FFBDRO CC[N@@H+]1CCC[C@H](CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000063852071 507775895 /nfs/dbraw/zinc/77/58/95/507775895.db2.gz SFUPNMXZLDQFEO-OAHLLOKOSA-N 1 0 360.458 2.657 20 5 FFBDRO O=C(COc1ccc([N+](=O)[O-])cc1)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000029938987 507796691 /nfs/dbraw/zinc/79/66/91/507796691.db2.gz RBKMBAILNJNGLT-QGZVFWFLSA-N 1 0 373.409 2.910 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC([NH+](C)C)CC1 ZINC000064724278 507807142 /nfs/dbraw/zinc/80/71/42/507807142.db2.gz RRBCTFGMJRBESR-NSHDSACASA-N 1 0 355.822 2.568 20 5 FFBDRO NC(=O)c1cccc(CC[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000089545606 507846755 /nfs/dbraw/zinc/84/67/55/507846755.db2.gz GDGIWAFVZPECPA-GOSISDBHSA-N 1 0 353.422 2.847 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1C[C@H](C)S[C@@H](C)C1 ZINC000072771428 507851443 /nfs/dbraw/zinc/85/14/43/507851443.db2.gz FKHIWZMUFBATFQ-RYUDHWBXSA-N 1 0 353.444 2.758 20 5 FFBDRO CCOC[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000072975837 507879142 /nfs/dbraw/zinc/87/91/42/507879142.db2.gz ADGISWDLSLPMGN-CQSZACIVSA-N 1 0 365.430 2.681 20 5 FFBDRO C[N@H+](CCCO)C1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000089901886 507881413 /nfs/dbraw/zinc/88/14/13/507881413.db2.gz QHPSGTWKTVKHGD-UHFFFAOYSA-N 1 0 374.441 2.528 20 5 FFBDRO CCCC[N@@H+]1CCCC[C@@H]1CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000078650314 507893402 /nfs/dbraw/zinc/89/34/02/507893402.db2.gz MLRSGEFOAGABNJ-CYBMUJFWSA-N 1 0 359.430 2.898 20 5 FFBDRO CN(c1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1)C1CC[NH+](C)CC1 ZINC000079147308 507938345 /nfs/dbraw/zinc/93/83/45/507938345.db2.gz STSWXBSKWFMHGB-UHFFFAOYSA-N 1 0 358.398 2.971 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000109434355 507962654 /nfs/dbraw/zinc/96/26/54/507962654.db2.gz SRVAJWNRKSXIOP-UHFFFAOYSA-N 1 0 350.419 2.942 20 5 FFBDRO C[C@H](CNC(=O)c1cc2ccccc2c2cccnc12)N1CC[NH+](C)CC1 ZINC000074140297 507992146 /nfs/dbraw/zinc/99/21/46/507992146.db2.gz DGCJEZNGPBXKFT-MRXNPFEDSA-N 1 0 362.477 2.754 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000110353431 508022961 /nfs/dbraw/zinc/02/29/61/508022961.db2.gz NZNVYASHWSGXEM-CQSZACIVSA-N 1 0 357.410 2.854 20 5 FFBDRO C[C@H](CNC(=O)COc1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1ccccc1 ZINC000110351921 508023070 /nfs/dbraw/zinc/02/30/70/508023070.db2.gz PBBBQAADORGCAA-OAHLLOKOSA-N 1 0 357.410 2.610 20 5 FFBDRO CN(CC(=O)Nc1ccc(CC[NH+](C)C)cc1)c1ccccc1[N+](=O)[O-] ZINC000079989509 508024183 /nfs/dbraw/zinc/02/41/83/508024183.db2.gz KAVSVBATIPRLPP-UHFFFAOYSA-N 1 0 356.426 2.774 20 5 FFBDRO Cc1cc(Sc2nnc(C3CC[NH2+]CC3)n2C2CC2)ncc1[N+](=O)[O-] ZINC000074764217 508053241 /nfs/dbraw/zinc/05/32/41/508053241.db2.gz WECNDOGVSUTYQX-UHFFFAOYSA-N 1 0 360.443 2.843 20 5 FFBDRO O=C(NCCc1ccccc1[N+](=O)[O-])NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000080598422 508087050 /nfs/dbraw/zinc/08/70/50/508087050.db2.gz ZNEVHZXQVCWLMZ-KRWDZBQOSA-N 1 0 372.425 2.867 20 5 FFBDRO C[C@H]1C[NH+](CCCCNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000085457857 508309500 /nfs/dbraw/zinc/30/95/00/508309500.db2.gz STOVDBPNMBZSAO-STQMWFEESA-N 1 0 369.849 2.867 20 5 FFBDRO Cn1cc(C[NH2+]C[C@](C)(O)c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000114508636 508323295 /nfs/dbraw/zinc/32/32/95/508323295.db2.gz KIEGTHZDLKIHQF-FQEVSTJZSA-N 1 0 366.421 2.993 20 5 FFBDRO C[NH+](C)C1(CNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CCCCC1 ZINC000087033112 508332277 /nfs/dbraw/zinc/33/22/77/508332277.db2.gz JRWFHWNQLCCMKI-UHFFFAOYSA-N 1 0 360.458 2.927 20 5 FFBDRO O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]c1ccncc1 ZINC000105565041 508375859 /nfs/dbraw/zinc/37/58/59/508375859.db2.gz QQXWEDAGDPDXMM-UHFFFAOYSA-N 1 0 358.173 2.553 20 5 FFBDRO CCOC(=O)c1ccnc(NC[C@@H]2CCC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000077938414 508394013 /nfs/dbraw/zinc/39/40/13/508394013.db2.gz AHQOEWVZIOPSFQ-ZDUSSCGKSA-N 1 0 350.419 2.699 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000106317527 508399124 /nfs/dbraw/zinc/39/91/24/508399124.db2.gz JODBIPFOZHJHBQ-STQMWFEESA-N 1 0 350.419 2.845 20 5 FFBDRO Cc1cc(C(=O)N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)cc([N+](=O)[O-])c1 ZINC000133511486 508409153 /nfs/dbraw/zinc/40/91/53/508409153.db2.gz IAPVLKXYSKZCCN-CALCHBBNSA-N 1 0 374.485 2.534 20 5 FFBDRO CC(=O)N1CC[C@@H](C[N@@H+](C)[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000156422037 508418818 /nfs/dbraw/zinc/41/88/18/508418818.db2.gz XPCJQVIKZKOTPM-OCCSQVGLSA-N 1 0 373.413 2.506 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC2CCC(C[NH+](C)C)CC2)c1 ZINC000133598366 508422332 /nfs/dbraw/zinc/42/23/32/508422332.db2.gz OMWPZIUFDSIZKI-UHFFFAOYSA-N 1 0 363.458 2.909 20 5 FFBDRO C[C@H]1C[C@H](N(C)C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000121869750 508437046 /nfs/dbraw/zinc/43/70/46/508437046.db2.gz AXTBWXRWQFSWJJ-GXFFZTMASA-N 1 0 370.247 2.912 20 5 FFBDRO CC(=O)N1CC[C@H](C[N@H+](C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000156643631 508455721 /nfs/dbraw/zinc/45/57/21/508455721.db2.gz FDTWIAJFEGFHTN-OAHLLOKOSA-N 1 0 372.425 2.593 20 5 FFBDRO C[NH+](C)CC[C@@H](NC(=O)CCOc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000116126175 508475415 /nfs/dbraw/zinc/47/54/15/508475415.db2.gz VNSILCBWIHIZDW-MRXNPFEDSA-N 1 0 351.447 2.846 20 5 FFBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CCC(C[NH+]2CCOCC2)CC1 ZINC000116276849 508493404 /nfs/dbraw/zinc/49/34/04/508493404.db2.gz MBJSWHLMVATIPB-UHFFFAOYSA-N 1 0 353.850 2.792 20 5 FFBDRO CN(c1ccccc1)c1ccc(C[N@@H+]2CC[C@@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000157071569 508518987 /nfs/dbraw/zinc/51/89/87/508518987.db2.gz DKAKDNPOTBOWCM-OAHLLOKOSA-N 1 0 354.410 2.670 20 5 FFBDRO Cc1c(C(=O)N(CC[NH+](C)C)Cc2cccc(O)c2)cccc1[N+](=O)[O-] ZINC000157278890 508546108 /nfs/dbraw/zinc/54/61/08/508546108.db2.gz XJJGOWGSKYVPTB-UHFFFAOYSA-N 1 0 357.410 2.813 20 5 FFBDRO COc1ccc(-c2ccc(C[N@@H+]3CCC[C@H]3C(=O)N(C)C)o2)c([N+](=O)[O-])c1 ZINC000122684870 508572055 /nfs/dbraw/zinc/57/20/55/508572055.db2.gz LYBQIDKZMIVMGF-INIZCTEOSA-N 1 0 373.409 2.916 20 5 FFBDRO C[NH+](C)CC1CCC(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC1 ZINC000134928798 508576189 /nfs/dbraw/zinc/57/61/89/508576189.db2.gz MTJHBUFWLIXEPB-UHFFFAOYSA-N 1 0 371.441 2.631 20 5 FFBDRO CC(C)C[C@](C)(C[NH3+])NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000157540569 508579037 /nfs/dbraw/zinc/57/90/37/508579037.db2.gz YBGWHMLWEZNIBR-BDJLRTHQSA-N 1 0 357.838 2.895 20 5 FFBDRO C[NH+](C)CCOc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000122781335 508585529 /nfs/dbraw/zinc/58/55/29/508585529.db2.gz CBIGQCVDFLOHKT-UHFFFAOYSA-N 1 0 361.373 2.604 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000123022175 508623276 /nfs/dbraw/zinc/62/32/76/508623276.db2.gz VSVYGKVNPFXDNW-UHFFFAOYSA-N 1 0 350.419 2.942 20 5 FFBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)[NH+]1CCC(C)CC1 ZINC000128832103 508649186 /nfs/dbraw/zinc/64/91/86/508649186.db2.gz IXNNSHGDKKTIEQ-CQSZACIVSA-N 1 0 356.426 2.993 20 5 FFBDRO Cc1cc(NC(=O)N(CC[NH+](C)C)Cc2ccccn2)ccc1[N+](=O)[O-] ZINC000153815194 508655032 /nfs/dbraw/zinc/65/50/32/508655032.db2.gz QCXUNQMHNWPOLP-UHFFFAOYSA-N 1 0 357.414 2.894 20 5 FFBDRO CCOc1cc(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)c([N+](=O)[O-])cc1OC ZINC000128912845 508658946 /nfs/dbraw/zinc/65/89/46/508658946.db2.gz AWSGEWSRWVDKFN-ZDUSSCGKSA-N 1 0 367.446 2.708 20 5 FFBDRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000153917461 508676739 /nfs/dbraw/zinc/67/67/39/508676739.db2.gz CBMZNTZLRSYNBF-GASCZTMLSA-N 1 0 352.504 2.647 20 5 FFBDRO C[C@H]1C[C@@H](NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C[N@@H+]1C1CC1 ZINC000123436372 508686630 /nfs/dbraw/zinc/68/66/30/508686630.db2.gz DCBZCEJZKQHZFA-DZGCQCFKSA-N 1 0 358.442 2.894 20 5 FFBDRO CC[NH+]1CCC(NC(=O)c2cccc([N+](=O)[O-])c2Br)CC1 ZINC000159078763 508789852 /nfs/dbraw/zinc/78/98/52/508789852.db2.gz QRNYIAGWYHPMOU-UHFFFAOYSA-N 1 0 356.220 2.571 20 5 FFBDRO CCCCN(C(=O)c1c([N+](=O)[O-])cnn1C)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000119512586 508810545 /nfs/dbraw/zinc/81/05/45/508810545.db2.gz NCEDHTMGTUWWEV-UHFFFAOYSA-N 1 0 365.478 2.880 20 5 FFBDRO O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000142092761 508821126 /nfs/dbraw/zinc/82/11/26/508821126.db2.gz RQMWWRMDKNFFNZ-INIZCTEOSA-N 1 0 358.442 2.505 20 5 FFBDRO COc1cc(C(=O)NCc2ccc(C[NH+](C)C)c(F)c2)ccc1[N+](=O)[O-] ZINC000154625319 508821695 /nfs/dbraw/zinc/82/16/95/508821695.db2.gz VJTOJTVYEWLDBE-UHFFFAOYSA-N 1 0 361.373 2.734 20 5 FFBDRO COc1cc(C[N@H+](C)C[C@@H](C)O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000130738032 508839121 /nfs/dbraw/zinc/83/91/21/508839121.db2.gz XMEUUXZJKJJXCK-CQSZACIVSA-N 1 0 360.410 2.995 20 5 FFBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000124541009 508849160 /nfs/dbraw/zinc/84/91/60/508849160.db2.gz NMEMTOSAXWTQHN-CRAIPNDOSA-N 1 0 358.442 2.753 20 5 FFBDRO COCC[N@H+](CCO)Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000130882876 508860170 /nfs/dbraw/zinc/86/01/70/508860170.db2.gz YYSCIYPMTCVTDC-UHFFFAOYSA-N 1 0 359.426 2.803 20 5 FFBDRO CC[NH+](CC)Cc1ccccc1CNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000124625365 508860638 /nfs/dbraw/zinc/86/06/38/508860638.db2.gz ANXYWVZRGZLMLC-UHFFFAOYSA-N 1 0 357.414 2.543 20 5 FFBDRO CCC[NH+]1CCC(N(C)S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])CC1 ZINC000119909704 508888654 /nfs/dbraw/zinc/88/86/54/508888654.db2.gz IPUFUJACHZCJKT-UHFFFAOYSA-N 1 0 369.487 2.707 20 5 FFBDRO CCc1nc(C)c([C@H](C)[N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)s1 ZINC000159848515 508900398 /nfs/dbraw/zinc/90/03/98/508900398.db2.gz GNPGRUXZOCKSKR-LBPRGKRZSA-N 1 0 350.444 2.777 20 5 FFBDRO C[C@H](c1cccnc1)N1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000155000909 508901109 /nfs/dbraw/zinc/90/11/09/508901109.db2.gz NCWAIWYYYPUNOY-CQSZACIVSA-N 1 0 372.400 2.577 20 5 FFBDRO CC(=O)Nc1c[nH]nc1[C@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000369473700 512426596 /nfs/dbraw/zinc/42/65/96/512426596.db2.gz XGMNYSVRWYMINC-HNNXBMFYSA-N 1 0 357.414 2.698 20 5 FFBDRO COc1ccc([C@@H]2CC[N@H+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000155238942 508955506 /nfs/dbraw/zinc/95/55/06/508955506.db2.gz UFZISRMOIQPULF-AEFFLSMTSA-N 1 0 372.421 2.833 20 5 FFBDRO COc1cc(C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000160743386 509027541 /nfs/dbraw/zinc/02/75/41/509027541.db2.gz LIFZWOUIBWTUEW-INIZCTEOSA-N 1 0 357.410 2.506 20 5 FFBDRO CCn1c(CC[NH3+])nnc1Sc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000161155591 509078305 /nfs/dbraw/zinc/07/83/05/509078305.db2.gz WTNXQMFYSXDDAA-UHFFFAOYSA-N 1 0 361.349 2.877 20 5 FFBDRO CC(C)[NH2+]CCCNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000151766058 509079107 /nfs/dbraw/zinc/07/91/07/509079107.db2.gz GDJQXESOKBYKIB-UHFFFAOYSA-N 1 0 363.336 2.654 20 5 FFBDRO C[C@@H](CC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[S@@](C)=O ZINC000133319684 509146851 /nfs/dbraw/zinc/14/68/51/509146851.db2.gz UBNJSEZESRBJAC-RULNZOCKSA-N 1 0 353.469 2.965 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000156321246 509159650 /nfs/dbraw/zinc/15/96/50/509159650.db2.gz CSMOOTNPRSLFMV-KRWDZBQOSA-N 1 0 370.409 2.780 20 5 FFBDRO C[N@@H+]1CCC[C@H]2CN(c3ncc([N+](=O)[O-])cc3Br)CC[C@@H]21 ZINC000133449726 509161839 /nfs/dbraw/zinc/16/18/39/509161839.db2.gz UERVSHGBOMNJBX-GWCFXTLKSA-N 1 0 355.236 2.673 20 5 FFBDRO O=C1CCc2cc([N+](=O)[O-])c(N3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)cc2N1 ZINC000161899157 509163198 /nfs/dbraw/zinc/16/31/98/509163198.db2.gz QPWWKOWRRFKPAL-PBHICJAKSA-N 1 0 370.453 2.933 20 5 FFBDRO COc1ccc([C@@H](C)[NH2+]CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1F ZINC000127076584 509165236 /nfs/dbraw/zinc/16/52/36/509165236.db2.gz PAMCBCNLEYKSQQ-GFCCVEGCSA-N 1 0 373.384 2.982 20 5 FFBDRO Cc1ccc([C@@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2)[NH+]2CCCC2)o1 ZINC000263851013 509186532 /nfs/dbraw/zinc/18/65/32/509186532.db2.gz YVSUIDGVJRQIRC-QGZVFWFLSA-N 1 0 357.410 2.992 20 5 FFBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)n1 ZINC000191801498 509186804 /nfs/dbraw/zinc/18/68/04/509186804.db2.gz GTIOBVOSWKVTST-OAHLLOKOSA-N 1 0 363.462 2.539 20 5 FFBDRO COC(=O)[C@H]1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1C ZINC000191837912 509205701 /nfs/dbraw/zinc/20/57/01/509205701.db2.gz SMTIKIQJZILMKB-CJNGLKHVSA-N 1 0 373.409 2.923 20 5 FFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000188702476 509222658 /nfs/dbraw/zinc/22/26/58/509222658.db2.gz HUZIVSPOXBZKPS-GFCCVEGCSA-N 1 0 357.435 2.995 20 5 FFBDRO COc1cccc(CN(CC[NH+](C)C)C(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000191952707 509261155 /nfs/dbraw/zinc/26/11/55/509261155.db2.gz UKZQAVLZADOSCZ-UHFFFAOYSA-N 1 0 363.439 2.869 20 5 FFBDRO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)c([N+](=O)[O-])c1 ZINC000266944798 509270429 /nfs/dbraw/zinc/27/04/29/509270429.db2.gz SIDKHURHZWKAPR-ZDUSSCGKSA-N 1 0 373.413 2.535 20 5 FFBDRO CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)C1 ZINC000191997443 509284051 /nfs/dbraw/zinc/28/40/51/509284051.db2.gz UIFLYHOZTWBYKA-OAHLLOKOSA-N 1 0 369.487 2.564 20 5 FFBDRO CCCC[C@H](C[NH3+])NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000162809243 509306166 /nfs/dbraw/zinc/30/61/66/509306166.db2.gz QKRVUUUFQGDZLC-LLVKDONJSA-N 1 0 358.236 2.534 20 5 FFBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)n1 ZINC000192079589 509336858 /nfs/dbraw/zinc/33/68/58/509336858.db2.gz KXRHUMHYCWCOSD-ZFWWWQNUSA-N 1 0 354.769 2.704 20 5 FFBDRO C[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CCc2ccccc2C1 ZINC000248476490 509337523 /nfs/dbraw/zinc/33/75/23/509337523.db2.gz YHXLUNLNINXNMU-ZWKOTPCHSA-N 1 0 356.422 2.824 20 5 FFBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000173076829 509381387 /nfs/dbraw/zinc/38/13/87/509381387.db2.gz YAHSBLFIPXHWHH-SFHVURJKSA-N 1 0 353.422 2.918 20 5 FFBDRO CC[C@@H]1CN(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)CC[N@@H+]1C[C@H](C)O ZINC000248637095 509405866 /nfs/dbraw/zinc/40/58/66/509405866.db2.gz KWSVXHNLLKJAKJ-LSDHHAIUSA-N 1 0 364.446 2.521 20 5 FFBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@@H](CCC(N)=O)C1 ZINC000229178659 509424906 /nfs/dbraw/zinc/42/49/06/509424906.db2.gz UACJYQOQOGUXQF-STQMWFEESA-N 1 0 373.413 2.683 20 5 FFBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000229181530 509425168 /nfs/dbraw/zinc/42/51/68/509425168.db2.gz BNDYFRKGTIRYMI-GXTWGEPZSA-N 1 0 366.849 2.745 20 5 FFBDRO CN(CC1CC[NH+](C)CC1)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000186005032 509476101 /nfs/dbraw/zinc/47/61/01/509476101.db2.gz JSPZSLKTNATAKK-UHFFFAOYSA-N 1 0 354.838 2.731 20 5 FFBDRO CC(C)[C@@](C)(C[NH3+])NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000236730574 509493017 /nfs/dbraw/zinc/49/30/17/509493017.db2.gz CGAJVSVYSBIZRR-LJQANCHMSA-N 1 0 362.474 2.934 20 5 FFBDRO O=C1CCCN1C[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000179557936 509510559 /nfs/dbraw/zinc/51/05/59/509510559.db2.gz IRIZWMSNVHNZEM-OALUTQOASA-N 1 0 369.421 2.582 20 5 FFBDRO COc1ccc(COC[C@@H](O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000173356455 509550873 /nfs/dbraw/zinc/55/08/73/509550873.db2.gz RSNJFKYBUXDTRX-KDOFPFPSSA-N 1 0 360.410 2.832 20 5 FFBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000248950491 509552179 /nfs/dbraw/zinc/55/21/79/509552179.db2.gz ZTLHAKWTCNYICR-MAUKXSAKSA-N 1 0 368.437 2.643 20 5 FFBDRO CCCc1n[nH]c(C(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000179711832 509587009 /nfs/dbraw/zinc/58/70/09/509587009.db2.gz YJXPWCKUIGFVIK-CYBMUJFWSA-N 1 0 359.430 2.521 20 5 FFBDRO O=C(CC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)Nc1ccc(F)cc1 ZINC000173467645 509619608 /nfs/dbraw/zinc/61/96/08/509619608.db2.gz UKXGHSJTYRPTBT-OAHLLOKOSA-N 1 0 373.388 2.644 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)c1 ZINC000173474548 509624217 /nfs/dbraw/zinc/62/42/17/509624217.db2.gz ZDWLWFMKHCOSID-UHFFFAOYSA-N 1 0 357.410 2.774 20 5 FFBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CCC[NH2+]CC2)cc1 ZINC000237455078 509652029 /nfs/dbraw/zinc/65/20/29/509652029.db2.gz ZZYXXMBOLWXZBJ-UHFFFAOYSA-N 1 0 371.393 2.831 20 5 FFBDRO CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000186341329 509658693 /nfs/dbraw/zinc/65/86/93/509658693.db2.gz GJSAUCOYSDGTHT-WMZOPIPTSA-N 1 0 361.442 2.667 20 5 FFBDRO CCC(CC)[C@H](CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)[NH+](C)C ZINC000189630341 509671629 /nfs/dbraw/zinc/67/16/29/509671629.db2.gz ZJZDUXBHAVORPJ-HNNXBMFYSA-N 1 0 357.476 2.777 20 5 FFBDRO C[C@H](CC[NH+](C)C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000267942779 509680708 /nfs/dbraw/zinc/68/07/08/509680708.db2.gz SPIZWTBSUGHHQQ-MRVPVSSYSA-N 1 0 362.199 2.566 20 5 FFBDRO CCOCCCNC(=O)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000183265954 509688359 /nfs/dbraw/zinc/68/83/59/509688359.db2.gz UROCQVQXOSTEFP-UHFFFAOYSA-N 1 0 363.458 2.658 20 5 FFBDRO C[C@H](C[NH3+])N(C)C(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000237647162 509701708 /nfs/dbraw/zinc/70/17/08/509701708.db2.gz MIKSXLKVZVWINJ-MRVPVSSYSA-N 1 0 372.212 2.507 20 5 FFBDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000176850997 509725098 /nfs/dbraw/zinc/72/50/98/509725098.db2.gz RIKKJQFQADYVOD-HNNXBMFYSA-N 1 0 368.437 2.914 20 5 FFBDRO C[NH+](C)Cc1ccnc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1 ZINC000176913398 509761103 /nfs/dbraw/zinc/76/11/03/509761103.db2.gz HOLWQTXMZHQVDX-UHFFFAOYSA-N 1 0 369.425 2.904 20 5 FFBDRO O=C(NCCc1ccccc1[N+](=O)[O-])C1(c2ccccc2)CC[NH2+]CC1 ZINC000237891270 509764327 /nfs/dbraw/zinc/76/43/27/509764327.db2.gz PYCFOIWFHZKSHO-UHFFFAOYSA-N 1 0 353.422 2.575 20 5 FFBDRO CC[N@H+](C)CCNC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000264914914 509772424 /nfs/dbraw/zinc/77/24/24/509772424.db2.gz OEHHPRSEJWFLOV-AWEZNQCLSA-N 1 0 371.441 2.844 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])s1)N(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000186566404 509775888 /nfs/dbraw/zinc/77/58/88/509775888.db2.gz SMVASMOXZOTGDJ-CQSZACIVSA-N 1 0 360.439 2.836 20 5 FFBDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000268193727 509806613 /nfs/dbraw/zinc/80/66/13/509806613.db2.gz XDHNLIMSHVXKGF-GFCCVEGCSA-N 1 0 354.838 2.731 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000186691439 509856387 /nfs/dbraw/zinc/85/63/87/509856387.db2.gz CCNIKFBWPBPZTH-ZDUSSCGKSA-N 1 0 364.446 2.521 20 5 FFBDRO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2CC)C1 ZINC000173949465 509870576 /nfs/dbraw/zinc/87/05/76/509870576.db2.gz CSXQFCQLLGMFTM-AWEZNQCLSA-N 1 0 369.487 2.510 20 5 FFBDRO NC(=O)c1ccc(C[NH2+]C2(c3ccc(F)cc3)CCOCC2)c([N+](=O)[O-])c1 ZINC000170971238 509874340 /nfs/dbraw/zinc/87/43/40/509874340.db2.gz PHSZYXHMTFTRFJ-UHFFFAOYSA-N 1 0 373.384 2.628 20 5 FFBDRO C[C@H](C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000245203393 509884922 /nfs/dbraw/zinc/88/49/22/509884922.db2.gz QMVYGVSLYOPTKB-OWCLPIDISA-N 1 0 360.458 2.505 20 5 FFBDRO O=C(Nc1ccncc1[N+](=O)[O-])N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000183626977 509893445 /nfs/dbraw/zinc/89/34/45/509893445.db2.gz VMTBJUQVMALOFV-INIZCTEOSA-N 1 0 355.398 2.948 20 5 FFBDRO C[NH+](C)[C@H](CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)C1CCCCC1 ZINC000180418446 509917563 /nfs/dbraw/zinc/91/75/63/509917563.db2.gz UHXYMXMXBKMMFS-OAHLLOKOSA-N 1 0 363.414 2.564 20 5 FFBDRO COc1ccc(CN(C)C(=O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000180420719 509918510 /nfs/dbraw/zinc/91/85/10/509918510.db2.gz KYHCFGDBUVTTLP-CQSZACIVSA-N 1 0 357.410 2.913 20 5 FFBDRO C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1CC(C)(C)O ZINC000186944001 509966599 /nfs/dbraw/zinc/96/65/99/509966599.db2.gz XMUNDZUEZWTXQS-LLVKDONJSA-N 1 0 370.837 2.557 20 5 FFBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)C[C@H]1CCCOC1 ZINC000245499864 509968699 /nfs/dbraw/zinc/96/86/99/509968699.db2.gz YZLQZYWBUYMXHB-NWDGAFQWSA-N 1 0 355.822 2.934 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000245513758 509978314 /nfs/dbraw/zinc/97/83/14/509978314.db2.gz AVIAVTMAOGAVIG-JKSUJKDBSA-N 1 0 361.442 2.535 20 5 FFBDRO Cc1n[nH]c(C(=O)NC2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000268530328 509992451 /nfs/dbraw/zinc/99/24/51/509992451.db2.gz DARCQZLTGNXDEV-CHWSQXEVSA-N 1 0 371.441 2.513 20 5 FFBDRO Cc1n[nH]c(C(=O)N[C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000268530334 509992491 /nfs/dbraw/zinc/99/24/91/509992491.db2.gz DARCQZLTGNXDEV-VIKVFOODSA-N 1 0 371.441 2.513 20 5 FFBDRO [NH3+]CCN(CCc1ccccc1)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000261653758 510016224 /nfs/dbraw/zinc/01/62/24/510016224.db2.gz DMDWMIYPRGVPOZ-UHFFFAOYSA-N 1 0 359.451 2.717 20 5 FFBDRO C[NH+](C)[C@@H](CNC(=O)CCOc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000193684586 510019219 /nfs/dbraw/zinc/01/92/19/510019219.db2.gz ABKDUMBARDVTDA-KRWDZBQOSA-N 1 0 357.410 2.783 20 5 FFBDRO C[NH2+][C@H](C)Cc1noc(CSCc2ccc(OC)c([N+](=O)[O-])c2)n1 ZINC000261755058 510051902 /nfs/dbraw/zinc/05/19/02/510051902.db2.gz MBNBKTXXICUDKB-SNVBAGLBSA-N 1 0 352.416 2.570 20 5 FFBDRO CCc1ccc(C(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000261810205 510074472 /nfs/dbraw/zinc/07/44/72/510074472.db2.gz RNMXRCCAAASWCP-MSOLQXFVSA-N 1 0 353.422 2.972 20 5 FFBDRO C[C@H](CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)[N@H+](C)Cc1ccccc1 ZINC000174411982 510102301 /nfs/dbraw/zinc/10/23/01/510102301.db2.gz WYSKSCKYXYMFIC-CYBMUJFWSA-N 1 0 374.416 2.957 20 5 FFBDRO CCc1n[nH]c(C(=O)NC[C@H](c2ccsc2)[NH+](CC)CC)c1[N+](=O)[O-] ZINC000171371407 510112312 /nfs/dbraw/zinc/11/23/12/510112312.db2.gz XEKOLADQXJQPMG-CYBMUJFWSA-N 1 0 365.459 2.755 20 5 FFBDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000180836653 510137189 /nfs/dbraw/zinc/13/71/89/510137189.db2.gz ZNONOOBUPBWZTD-GFCCVEGCSA-N 1 0 351.403 2.564 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000193946723 510143704 /nfs/dbraw/zinc/14/37/04/510143704.db2.gz VZHLSSYPVSBBQW-UHFFFAOYSA-N 1 0 364.446 2.523 20 5 FFBDRO CCOc1ccc(NC(=O)CN2CCSC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000190459910 510144251 /nfs/dbraw/zinc/14/42/51/510144251.db2.gz KGFNLXQDDUSBIU-LBPRGKRZSA-N 1 0 353.444 2.617 20 5 FFBDRO C[NH+]1CCC2(CC1)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)c1ccccc1O2 ZINC000193953365 510146928 /nfs/dbraw/zinc/14/69/28/510146928.db2.gz ZJNXFNWNWORPNO-CQSZACIVSA-N 1 0 371.393 2.906 20 5 FFBDRO [NH3+]C1(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CCCCC1 ZINC000269119275 510244751 /nfs/dbraw/zinc/24/47/51/510244751.db2.gz XYUCYMXXIXRLPN-UHFFFAOYSA-N 1 0 374.210 2.888 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000174686975 510249966 /nfs/dbraw/zinc/24/99/66/510249966.db2.gz ALIGXRFHLJAQFH-UHFFFAOYSA-N 1 0 374.485 2.722 20 5 FFBDRO C[N@@H+](Cc1cc(Cl)cc(Cl)c1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174738148 510282974 /nfs/dbraw/zinc/28/29/74/510282974.db2.gz KOUBFQZGGRINIC-CQSZACIVSA-N 1 0 359.213 2.591 20 5 FFBDRO C[C@@H](CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)[N@H+](C)Cc1ccccc1 ZINC000181228505 510310907 /nfs/dbraw/zinc/31/09/07/510310907.db2.gz MWEOAZPNIUBPAL-ZDUSSCGKSA-N 1 0 371.393 2.574 20 5 FFBDRO O=C(CN1CCC[C@@H]1C[NH+]1CCCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000171708291 510323109 /nfs/dbraw/zinc/32/31/09/510323109.db2.gz XZQSKQMSNVVNJM-CQSZACIVSA-N 1 0 366.849 2.747 20 5 FFBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N[C@H](C[NH3+])C3CC3)cc2[N+](=O)[O-])C1 ZINC000262591310 510329288 /nfs/dbraw/zinc/32/92/88/510329288.db2.gz TWGPGZKYQZMXNS-XJKCOSOUSA-N 1 0 360.458 2.544 20 5 FFBDRO C[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1cccc(N2CCOC2=O)c1 ZINC000181314190 510351132 /nfs/dbraw/zinc/35/11/32/510351132.db2.gz OWVGSMNLARDUMC-UGSOOPFHSA-N 1 0 371.393 2.936 20 5 FFBDRO CC[C@H]([NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000178000178 510368071 /nfs/dbraw/zinc/36/80/71/510368071.db2.gz QDVFDNDYTALWQS-AWEZNQCLSA-N 1 0 369.468 2.676 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000269382197 510374308 /nfs/dbraw/zinc/37/43/08/510374308.db2.gz PHUMQUPNIOCTBR-UHFFFAOYSA-N 1 0 374.485 2.534 20 5 FFBDRO CC1CCN(c2ccc(C(=O)N[C@H]3CC[NH2+]C[C@@H]3C)cc2[N+](=O)[O-])CC1 ZINC000262706756 510378425 /nfs/dbraw/zinc/37/84/25/510378425.db2.gz BQNUTFXLCSHYRP-HOCLYGCPSA-N 1 0 360.458 2.559 20 5 FFBDRO CCc1n[nH]c(C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1[N+](=O)[O-] ZINC000171809407 510382912 /nfs/dbraw/zinc/38/29/12/510382912.db2.gz UXGAIFPXPDZMGQ-AWEZNQCLSA-N 1 0 363.462 2.609 20 5 FFBDRO CC(C)[C@@H](CNc1ccc2cc([N+](=O)[O-])ccc2n1)[NH+]1CCN(C)CC1 ZINC000266138477 510429291 /nfs/dbraw/zinc/42/92/91/510429291.db2.gz GGEYHUYOVVJFTC-GOSISDBHSA-N 1 0 357.458 2.827 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000194711657 510490929 /nfs/dbraw/zinc/49/09/29/510490929.db2.gz XSJPXOWXPPWDPS-UHFFFAOYSA-N 1 0 354.410 2.693 20 5 FFBDRO O=C(CNc1ccccc1[N+](=O)[O-])NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000194750666 510510587 /nfs/dbraw/zinc/51/05/87/510510587.db2.gz BHEBLKOHOZYSBY-QGZVFWFLSA-N 1 0 368.437 2.645 20 5 FFBDRO COC[C@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1ccccc1 ZINC000181704099 510547347 /nfs/dbraw/zinc/54/73/47/510547347.db2.gz FGOFMUKMPFIEHH-KRWDZBQOSA-N 1 0 373.409 2.909 20 5 FFBDRO CCc1n[nH]c(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)c1[N+](=O)[O-] ZINC000172155669 510572670 /nfs/dbraw/zinc/57/26/70/510572670.db2.gz YJMUWZGYJXWDDB-UHFFFAOYSA-N 1 0 363.462 2.799 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000184923493 510587289 /nfs/dbraw/zinc/58/72/89/510587289.db2.gz HUWCFGUEJZBCDS-CQSZACIVSA-N 1 0 364.446 2.667 20 5 FFBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2cccc(C)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000246713284 510630822 /nfs/dbraw/zinc/63/08/22/510630822.db2.gz FUXHSHZKBUDKAW-RDJZCZTQSA-N 1 0 363.458 2.770 20 5 FFBDRO Cc1ccc(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)c(C[NH+](C)C)c1 ZINC000181904284 510650516 /nfs/dbraw/zinc/65/05/16/510650516.db2.gz CXXSUTPKFDLZLQ-UHFFFAOYSA-N 1 0 357.366 2.946 20 5 FFBDRO C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266549319 510652446 /nfs/dbraw/zinc/65/24/46/510652446.db2.gz SVIGGZLYSGGMNA-ABAIWWIYSA-N 1 0 372.347 2.864 20 5 FFBDRO C[N@@H+]1CCC[C@@H]2CN(CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])CC[C@H]21 ZINC000246764788 510659609 /nfs/dbraw/zinc/65/96/09/510659609.db2.gz HWCALUSISDRHGN-IUODEOHRSA-N 1 0 366.849 2.603 20 5 FFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[NH+](CCCCCO)CC1 ZINC000175487636 510663309 /nfs/dbraw/zinc/66/33/09/510663309.db2.gz HWJMSCPYEUFJGF-UHFFFAOYSA-N 1 0 361.364 2.898 20 5 FFBDRO C[NH+](C)Cc1cc(CNC(=O)NCCc2ccccc2[N+](=O)[O-])ccc1F ZINC000266602885 510682203 /nfs/dbraw/zinc/68/22/03/510682203.db2.gz BQNSQSJMXGFCLK-UHFFFAOYSA-N 1 0 374.416 2.837 20 5 FFBDRO O=C1CCc2cc([N+](=O)[O-])c(N3CCC[N@@H+](C4CCCC4)CC3)cc2N1 ZINC000172373372 510696388 /nfs/dbraw/zinc/69/63/88/510696388.db2.gz YFCVSTKHECDITB-UHFFFAOYSA-N 1 0 358.442 2.934 20 5 FFBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(C)c2)[C@@H](C)C1 ZINC000246868044 510719521 /nfs/dbraw/zinc/71/95/21/510719521.db2.gz RZXXLUITEWCKIC-RDJZCZTQSA-N 1 0 363.458 2.770 20 5 FFBDRO Cc1ccccc1C[C@H](CO)[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000191567178 510726410 /nfs/dbraw/zinc/72/64/10/510726410.db2.gz MUFVALKWEARULY-MAUKXSAKSA-N 1 0 371.437 2.814 20 5 FFBDRO Cc1cc(C[NH+](C)C)cc(NC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])c1 ZINC000270362694 510777691 /nfs/dbraw/zinc/77/76/91/510777691.db2.gz HLHFSKLOVKNKGM-UHFFFAOYSA-N 1 0 371.393 2.795 20 5 FFBDRO O=[N+]([O-])c1ccc(CN2CCC[C@@H](C[NH+]3CCOCC3)C2)c(Cl)c1 ZINC000182166324 510790018 /nfs/dbraw/zinc/79/00/18/510790018.db2.gz DVPPQRMRQRQZJN-AWEZNQCLSA-N 1 0 353.850 2.792 20 5 FFBDRO CC[NH+](CC)CCN(CC(C)C)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000178822129 510790700 /nfs/dbraw/zinc/79/07/00/510790700.db2.gz MKBHOYJCMAJDOQ-UHFFFAOYSA-N 1 0 371.503 2.803 20 5 FFBDRO O=[N+]([O-])c1cc(CNCCS(=O)(=O)c2ccc(Cl)cc2)cs1 ZINC000195422640 510820653 /nfs/dbraw/zinc/82/06/53/510820653.db2.gz LQIDIJFWYKWCDS-UHFFFAOYSA-N 1 0 360.844 2.873 20 5 FFBDRO C[C@@H](CCNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)[NH+]1CCCCC1 ZINC000182227865 510823112 /nfs/dbraw/zinc/82/31/12/510823112.db2.gz LOEQCIOSMDSXLZ-HNNXBMFYSA-N 1 0 371.441 2.775 20 5 FFBDRO Cc1cnc([C@@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C2CC2)s1 ZINC000185376830 510827950 /nfs/dbraw/zinc/82/79/50/510827950.db2.gz GMYRQJGZKBQUFD-BBRMVZONSA-N 1 0 363.439 2.840 20 5 FFBDRO COC[C@@H]1CCCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000247153205 510845796 /nfs/dbraw/zinc/84/57/96/510845796.db2.gz YOJXPZKHTMDWPR-VXGBXAGGSA-N 1 0 355.822 2.934 20 5 FFBDRO CC(=O)c1cccc(OC[C@@H](O)C[N@H+](C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000285359437 510875912 /nfs/dbraw/zinc/87/59/12/510875912.db2.gz QFHQVBZGVWMLNW-SFHVURJKSA-N 1 0 372.421 2.712 20 5 FFBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC(c2ccc(F)c(F)c2)CC1 ZINC000270460408 510876218 /nfs/dbraw/zinc/87/62/18/510876218.db2.gz AASFXAICGAREDF-UHFFFAOYSA-N 1 0 363.364 2.914 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCO[C@@H]1c1c(C)nn(C)c1C ZINC000275348300 510878584 /nfs/dbraw/zinc/87/85/84/510878584.db2.gz UIGYCNOROJVQLV-YJBOKZPZSA-N 1 0 360.414 2.574 20 5 FFBDRO Cc1c(NC(=O)CC[N@H+]2CCC[C@@H](c3ccnn3C)C2)cccc1[N+](=O)[O-] ZINC000360305682 510894354 /nfs/dbraw/zinc/89/43/54/510894354.db2.gz LSDPPFIOFGGIGM-OAHLLOKOSA-N 1 0 371.441 2.845 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H](c2ccnn2C)C1 ZINC000360305649 510894396 /nfs/dbraw/zinc/89/43/96/510894396.db2.gz LBSMDANBLVZWNG-OAHLLOKOSA-N 1 0 371.441 2.845 20 5 FFBDRO C[C@H]1CCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H](C)[C@H]1[NH3+] ZINC000297326412 510903879 /nfs/dbraw/zinc/90/38/79/510903879.db2.gz HIUNPJIEBVXYIK-PGUXBMHVSA-N 1 0 360.439 2.916 20 5 FFBDRO C[N@@H+]1CC[C@H](NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)[C@@H]1c1ccccc1 ZINC000270607711 510922471 /nfs/dbraw/zinc/92/24/71/510922471.db2.gz DWFFNIBEBHYFFG-LPHOPBHVSA-N 1 0 373.384 2.674 20 5 FFBDRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000270801242 510988472 /nfs/dbraw/zinc/98/84/72/510988472.db2.gz MACWWXIRTDQYHH-ZWKOTPCHSA-N 1 0 358.442 2.896 20 5 FFBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000285659511 510998130 /nfs/dbraw/zinc/99/81/30/510998130.db2.gz FHTWSDWEKNXVEB-WMLDXEAASA-N 1 0 356.426 2.635 20 5 FFBDRO COc1cc(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)c([N+](=O)[O-])cc1F ZINC000294234020 511000093 /nfs/dbraw/zinc/00/00/93/511000093.db2.gz DVVBUIMRITWGOL-AWEZNQCLSA-N 1 0 367.402 2.837 20 5 FFBDRO CN1C(=O)N[C@@H]2C[N@@H+](Cc3cc(=O)oc4ccc5ccccc5c34)CC[C@@H]21 ZINC000285826092 511015465 /nfs/dbraw/zinc/01/54/65/511015465.db2.gz FPCVCXQZTBWUOA-SJORKVTESA-N 1 0 363.417 2.544 20 5 FFBDRO C[NH+](C)CCCC1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000271008827 511054728 /nfs/dbraw/zinc/05/47/28/511054728.db2.gz XJNDUEIEALMHES-UHFFFAOYSA-N 1 0 369.487 2.557 20 5 FFBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000271067860 511073776 /nfs/dbraw/zinc/07/37/76/511073776.db2.gz XLTQYMSQHCNSLY-CYBMUJFWSA-N 1 0 351.472 2.876 20 5 FFBDRO CC(C)[C@H]1CN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000332448497 511082751 /nfs/dbraw/zinc/08/27/51/511082751.db2.gz LTZVFHLFRQOXJO-GOSISDBHSA-N 1 0 360.458 2.607 20 5 FFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCc2nc(C)nn2C1 ZINC000271175314 511107229 /nfs/dbraw/zinc/10/72/29/511107229.db2.gz UZSCUQFFGJSFOX-KBPBESRZSA-N 1 0 361.471 2.970 20 5 FFBDRO C[C@@H]([NH2+]CC1(N2CCCCC2)CCOCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294611033 511119807 /nfs/dbraw/zinc/11/98/07/511119807.db2.gz DSGHYJMNLHSDKN-OAHLLOKOSA-N 1 0 362.474 2.863 20 5 FFBDRO CN(Cc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000362253498 511155171 /nfs/dbraw/zinc/15/51/71/511155171.db2.gz DWKGTYVKDFUMMQ-KRWDZBQOSA-N 1 0 366.893 2.849 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(c2ccncn2)CC1 ZINC000298063755 511163802 /nfs/dbraw/zinc/16/38/02/511163802.db2.gz GNFYJFMFZIXWJJ-UHFFFAOYSA-N 1 0 369.425 2.901 20 5 FFBDRO COc1cc(C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)c([N+](=O)[O-])cc1F ZINC000294791151 511178134 /nfs/dbraw/zinc/17/81/34/511178134.db2.gz SSGRZRHVXVVYHU-GFCCVEGCSA-N 1 0 353.394 2.593 20 5 FFBDRO COc1cc(C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)c([N+](=O)[O-])cc1F ZINC000294791158 511179603 /nfs/dbraw/zinc/17/96/03/511179603.db2.gz SSGRZRHVXVVYHU-LBPRGKRZSA-N 1 0 353.394 2.593 20 5 FFBDRO Cc1nc(N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)ncc1[N+](=O)[O-] ZINC000294827742 511190766 /nfs/dbraw/zinc/19/07/66/511190766.db2.gz AFKMDQVUJQZRTR-LJQANCHMSA-N 1 0 353.426 2.796 20 5 FFBDRO CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCC[C@H]([NH+]3CCCC3)CC2)s1 ZINC000271450009 511209359 /nfs/dbraw/zinc/20/93/59/511209359.db2.gz WZSJVBZGROQLNI-LBPRGKRZSA-N 1 0 373.500 2.515 20 5 FFBDRO CCOC(=O)[C@@H](C)[C@@H](C)[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000283068957 511222138 /nfs/dbraw/zinc/22/21/38/511222138.db2.gz JYASAZNEFSPGFI-QWHCGFSZSA-N 1 0 361.398 2.970 20 5 FFBDRO COc1cc(C[NH2+][C@@H](C)CC(C)(C)O)c([N+](=O)[O-])cc1OCC(F)F ZINC000295011380 511253203 /nfs/dbraw/zinc/25/32/03/511253203.db2.gz JMEVWHQWSHDZJK-JTQLQIEISA-N 1 0 362.373 2.886 20 5 FFBDRO COc1cc(C[NH2+][C@H](C)CCCCO)c([N+](=O)[O-])cc1OCC(F)F ZINC000295027091 511256523 /nfs/dbraw/zinc/25/65/23/511256523.db2.gz LGGZVKYBMUKIND-LLVKDONJSA-N 1 0 362.373 2.888 20 5 FFBDRO COc1cccc([C@H](C)[NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)c1 ZINC000271711304 511297190 /nfs/dbraw/zinc/29/71/90/511297190.db2.gz VFFSKUNQPCUMDZ-ZDUSSCGKSA-N 1 0 355.394 2.843 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](CCO)c1ccccc1 ZINC000271846282 511345933 /nfs/dbraw/zinc/34/59/33/511345933.db2.gz ZECCEZIFJGIENV-INIZCTEOSA-N 1 0 373.409 2.645 20 5 FFBDRO Cn1c(Sc2c3ccccc3ncc2[N+](=O)[O-])nnc1[C@@H]1CCC[NH2+]C1 ZINC000291852889 511365576 /nfs/dbraw/zinc/36/55/76/511365576.db2.gz HIMCYUVYEGDONP-LLVKDONJSA-N 1 0 370.438 2.890 20 5 FFBDRO CS[C@H]1CN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]1[NH+](C)C ZINC000271985066 511392715 /nfs/dbraw/zinc/39/27/15/511392715.db2.gz FEPBSBRPNVPUPV-CVEARBPZSA-N 1 0 362.455 2.727 20 5 FFBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cc(-c4ccc([N+](=O)[O-])cc4)n[nH]3)CC[C@@H]21 ZINC000295429924 511403153 /nfs/dbraw/zinc/40/31/53/511403153.db2.gz MKPKVBNNMBXCLC-KDOFPFPSSA-N 1 0 369.425 2.541 20 5 FFBDRO O=C(c1cc(N2CC[NH+](C3CCCC3)CC2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000298771565 511405731 /nfs/dbraw/zinc/40/57/31/511405731.db2.gz IIFSNFWRVTZSPF-UHFFFAOYSA-N 1 0 372.469 2.895 20 5 FFBDRO Cc1cc(Cl)c(C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1[N+](=O)[O-] ZINC000295571658 511448673 /nfs/dbraw/zinc/44/86/73/511448673.db2.gz ZZTKXPUWWWWETK-CHWSQXEVSA-N 1 0 369.849 2.786 20 5 FFBDRO Cc1cc(Cl)c(C(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000295571654 511448985 /nfs/dbraw/zinc/44/89/85/511448985.db2.gz ZZTKXPUWWWWETK-BETUJISGSA-N 1 0 369.849 2.786 20 5 FFBDRO CC[C@H]([NH2+]C[C@@](O)(c1nccn1C)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000272194051 511460949 /nfs/dbraw/zinc/46/09/49/511460949.db2.gz ZTEGASBGOFGRJT-DZGCQCFKSA-N 1 0 372.347 2.819 20 5 FFBDRO CN1CC[NH+](CC2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)CC1 ZINC000299159790 511535634 /nfs/dbraw/zinc/53/56/34/511535634.db2.gz QLJAQGKALOWQLN-UHFFFAOYSA-N 1 0 352.866 2.712 20 5 FFBDRO Cc1cc(C(=O)N2CCC[C@H]2CN2C[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000299194957 511547918 /nfs/dbraw/zinc/54/79/18/511547918.db2.gz MHHUBJVFHCIQHU-UXLLHSPISA-N 1 0 361.442 2.617 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)c1 ZINC000299240047 511562520 /nfs/dbraw/zinc/56/25/20/511562520.db2.gz WPRQHNFWNATBBP-KRWDZBQOSA-N 1 0 361.373 2.775 20 5 FFBDRO CCC(=O)c1ccc(N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)c([N+](=O)[O-])c1 ZINC000280698303 511566854 /nfs/dbraw/zinc/56/68/54/511566854.db2.gz KATKLELYHUUEQF-QGZVFWFLSA-N 1 0 374.485 2.794 20 5 FFBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000299303773 511585469 /nfs/dbraw/zinc/58/54/69/511585469.db2.gz SBDVJNUQMDEIGQ-UHFFFAOYSA-N 1 0 371.441 2.970 20 5 FFBDRO CC[C@H](C)[NH+]1CCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000296025226 511593139 /nfs/dbraw/zinc/59/31/39/511593139.db2.gz MDAPKLXIVDYBJT-STQMWFEESA-N 1 0 368.865 2.991 20 5 FFBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)COCC(F)(F)F ZINC000292509798 511623174 /nfs/dbraw/zinc/62/31/74/511623174.db2.gz TZYQHIQRXFNFEB-CQSZACIVSA-N 1 0 350.337 2.745 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)C1CCC(OC)CC1 ZINC000299438154 511635663 /nfs/dbraw/zinc/63/56/63/511635663.db2.gz YCIJBMPBLPHHPT-UHFFFAOYSA-N 1 0 365.430 2.821 20 5 FFBDRO COc1ccc(NC(=O)CC[NH2+][C@@H](CCO)c2ccccc2)c([N+](=O)[O-])c1 ZINC000299490901 511658137 /nfs/dbraw/zinc/65/81/37/511658137.db2.gz ATOGOFKJZLQVRU-INIZCTEOSA-N 1 0 373.409 2.645 20 5 FFBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])C1 ZINC000281029727 511694964 /nfs/dbraw/zinc/69/49/64/511694964.db2.gz VFDINUSLLXZBJL-HNNXBMFYSA-N 1 0 354.410 2.823 20 5 FFBDRO C[NH+](C)CC1(NC(=O)c2sc(Br)cc2[N+](=O)[O-])CCC1 ZINC000281089842 511715500 /nfs/dbraw/zinc/71/55/00/511715500.db2.gz OXIGTWANLJOGLY-UHFFFAOYSA-N 1 0 362.249 2.633 20 5 FFBDRO CCOc1ccc([C@H](C)[NH2+][C@H](CO)C[C@@H](O)C(C)(C)C)cc1[N+](=O)[O-] ZINC000284454137 511729429 /nfs/dbraw/zinc/72/94/29/511729429.db2.gz SRTPNSVCLBPFSL-RVSPLBMKSA-N 1 0 354.447 2.802 20 5 FFBDRO CC[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000303511239 511739311 /nfs/dbraw/zinc/73/93/11/511739311.db2.gz BNIXTSVMSHLRBT-HNNXBMFYSA-N 1 0 369.487 2.754 20 5 FFBDRO Cn1cc(CN2CC[C@]3(CC[N@H+](C)C3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000292897548 511764204 /nfs/dbraw/zinc/76/42/04/511764204.db2.gz ZOIJUBQXPRFAMC-IBGZPJMESA-N 1 0 355.442 2.523 20 5 FFBDRO O=C(c1ccc([N+](=O)[O-])o1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000365999261 511775979 /nfs/dbraw/zinc/77/59/79/511775979.db2.gz YKJZLMUWTGVRJD-JKSUJKDBSA-N 1 0 355.394 2.782 20 5 FFBDRO C[NH+]1CCC([C@@H]2CCN(C(=O)CCC(=O)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000296540165 511788815 /nfs/dbraw/zinc/78/88/15/511788815.db2.gz NUIZHUPBPLSRSJ-QGZVFWFLSA-N 1 0 373.453 2.748 20 5 FFBDRO CNc1ccc(-c2nc([C@@H]3C[N@@H+]4CCC[C@]4(C)CO3)no2)cc1[N+](=O)[O-] ZINC000350390454 511799097 /nfs/dbraw/zinc/79/90/97/511799097.db2.gz MDCYXRGYSAKSPY-WMLDXEAASA-N 1 0 359.386 2.612 20 5 FFBDRO [NH3+]C[C@@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)C1CCCCC1 ZINC000316602284 511802920 /nfs/dbraw/zinc/80/29/20/511802920.db2.gz HRRMUHVODBOGGT-CQSZACIVSA-N 1 0 370.247 2.995 20 5 FFBDRO CC(C)[C@]1(CO)CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000293084289 511835258 /nfs/dbraw/zinc/83/52/58/511835258.db2.gz OZXMFXJUWOITJL-GOSISDBHSA-N 1 0 367.421 2.793 20 5 FFBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[N@@H+](C(C)C)C2)cc1OC ZINC000274460482 511842678 /nfs/dbraw/zinc/84/26/78/511842678.db2.gz JVDXWNQSEYREGW-CYBMUJFWSA-N 1 0 365.430 2.605 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]2)c1C ZINC000327758586 511880652 /nfs/dbraw/zinc/88/06/52/511880652.db2.gz RNRYMBLMQGXKJC-HZPDHXFCSA-N 1 0 367.471 2.507 20 5 FFBDRO C[C@H]([NH2+][C@@H]1CCC[C@H]1CCO)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000284823325 511886126 /nfs/dbraw/zinc/88/61/26/511886126.db2.gz AGOBNISPPSGBRR-COPLHBTASA-N 1 0 355.822 2.716 20 5 FFBDRO COc1cccc(COC[C@H](O)C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000296840383 511919096 /nfs/dbraw/zinc/91/90/96/511919096.db2.gz XDOYRVVJPOKTJH-KBXCAEBGSA-N 1 0 360.410 2.832 20 5 FFBDRO Cc1cc(N2CCC[C@@H]([NH2+][C@H](C)c3ccc(N)c([N+](=O)[O-])c3)C2)n(C)n1 ZINC000284926111 511931043 /nfs/dbraw/zinc/93/10/43/511931043.db2.gz DHNYFQAZJXGZNU-UKRRQHHQSA-N 1 0 358.446 2.539 20 5 FFBDRO C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285140552 512014598 /nfs/dbraw/zinc/01/45/98/512014598.db2.gz LVNRDMPMENXDMS-RDTXWAMCSA-N 1 0 370.453 2.594 20 5 FFBDRO COc1ccccc1COC[C@H](O)C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285155759 512019682 /nfs/dbraw/zinc/01/96/82/512019682.db2.gz AETMCWGNSXKFTJ-GOSISDBHSA-N 1 0 374.437 2.655 20 5 FFBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)c3ccc([N+](=O)[O-])cc3Br)C2)C1 ZINC000293605345 512024296 /nfs/dbraw/zinc/02/42/96/512024296.db2.gz CHQPPDYUJNTJLA-HNNXBMFYSA-N 1 0 368.231 2.525 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000297226070 512068189 /nfs/dbraw/zinc/06/81/89/512068189.db2.gz OKHYSFGZHXKHIW-AEFFLSMTSA-N 1 0 357.385 2.999 20 5 FFBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc([N+](=O)[O-])cc1Br ZINC000377776701 512444966 /nfs/dbraw/zinc/44/49/66/512444966.db2.gz HFWOULXORHIHEJ-GHMZBOCLSA-N 1 0 368.231 2.714 20 5 FFBDRO CC[N@@H+]1CCCN([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000371732563 512547651 /nfs/dbraw/zinc/54/76/51/512547651.db2.gz NMIXSKWVPMPJFB-GFCCVEGCSA-N 1 0 354.838 2.603 20 5 FFBDRO O=C(CC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)Nc1cccc(F)c1 ZINC000369683459 512552747 /nfs/dbraw/zinc/55/27/47/512552747.db2.gz LSGRPTNJEIYDRS-UHFFFAOYSA-N 1 0 361.377 2.596 20 5 FFBDRO O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000369768931 512599461 /nfs/dbraw/zinc/59/94/61/512599461.db2.gz YOFGZWLECGFTMD-QAPCUYQASA-N 1 0 372.469 2.799 20 5 FFBDRO O=C(CC[N@@H+]1CCc2ccccc2[C@H]1CO)Nc1ccc([N+](=O)[O-])cc1 ZINC000411391523 512613728 /nfs/dbraw/zinc/61/37/28/512613728.db2.gz ORTXCJANUKAHGQ-GOSISDBHSA-N 1 0 355.394 2.515 20 5 FFBDRO C[C@H]([NH2+]CCCN1C(=O)NC2(CCCCC2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000369887197 512665783 /nfs/dbraw/zinc/66/57/83/512665783.db2.gz JKEPNVRKQSBLJK-AWEZNQCLSA-N 1 0 374.441 2.890 20 5 FFBDRO CCc1n[nH]c(C(=O)NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000374164232 512686690 /nfs/dbraw/zinc/68/66/90/512686690.db2.gz RDZVXTPXTBMZGG-IBGZPJMESA-N 1 0 371.441 2.522 20 5 FFBDRO CCOC(=O)CC1([NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000411680369 512754275 /nfs/dbraw/zinc/75/42/75/512754275.db2.gz UPYWZJGWRSFHMO-UHFFFAOYSA-N 1 0 363.414 2.779 20 5 FFBDRO C[C@H]([NH2+]CC(=O)N[C@@H]1CCOc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000374498487 512860651 /nfs/dbraw/zinc/86/06/51/512860651.db2.gz XLQBSCZKKBLWRE-SUMWQHHRSA-N 1 0 355.394 2.885 20 5 FFBDRO CNc1c(C(=O)NCCC[N@H+](C)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000387602099 512892733 /nfs/dbraw/zinc/89/27/33/512892733.db2.gz KOEVRWPTMCZYBK-UHFFFAOYSA-N 1 0 356.426 2.888 20 5 FFBDRO COc1ccc(NC(=O)CC[NH2+][C@H](C)[C@](C)(OC)C2CC2)c([N+](=O)[O-])c1 ZINC000411970977 512895506 /nfs/dbraw/zinc/89/55/06/512895506.db2.gz OBRNYODRIDHTCW-XIKOKIGWSA-N 1 0 365.430 2.725 20 5 FFBDRO NC(=O)[C@@H]1C[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000411970738 512895949 /nfs/dbraw/zinc/89/59/49/512895949.db2.gz GTIABEQYUJLNCS-UONOGXRCSA-N 1 0 359.813 2.949 20 5 FFBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H](O)COCc2ccc(Cl)cc2)c1 ZINC000391963462 512919914 /nfs/dbraw/zinc/91/99/14/512919914.db2.gz CSDUMLYAFFRIOE-QGZVFWFLSA-N 1 0 350.802 2.916 20 5 FFBDRO COC(=O)[C@]1(C)CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000412067141 512941748 /nfs/dbraw/zinc/94/17/48/512941748.db2.gz LXBJYEYLEMHALZ-GOSISDBHSA-N 1 0 363.414 2.507 20 5 FFBDRO Cc1ccc(C2CC[NH+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])CC2)cn1 ZINC000374677494 512950817 /nfs/dbraw/zinc/95/08/17/512950817.db2.gz HVYAJXBLZIPUOQ-UHFFFAOYSA-N 1 0 354.410 2.777 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(CC(=O)NCCCCC[NH+]2CCCC2)c1F ZINC000412368634 513055438 /nfs/dbraw/zinc/05/54/38/513055438.db2.gz VRJYYQNLVOSYBL-UHFFFAOYSA-N 1 0 367.421 2.667 20 5 FFBDRO Cc1cc(NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)ncc1[N+](=O)[O-] ZINC000428666156 513157772 /nfs/dbraw/zinc/15/77/72/513157772.db2.gz GKTGDBHBXUSROZ-INIZCTEOSA-N 1 0 358.467 2.750 20 5 FFBDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000439697708 513167101 /nfs/dbraw/zinc/16/71/01/513167101.db2.gz QCHKVPYRPREYJL-CQSZACIVSA-N 1 0 359.430 2.711 20 5 FFBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1C[C@@H]([NH+](C)C)[C@@H](SC)C1 ZINC000450409086 513180825 /nfs/dbraw/zinc/18/08/25/513180825.db2.gz XCAOGPHIRWMONA-CVEARBPZSA-N 1 0 362.455 2.633 20 5 FFBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000417726620 513181301 /nfs/dbraw/zinc/18/13/01/513181301.db2.gz MTBKROYHENYGCQ-QZTJIDSGSA-N 1 0 374.485 2.949 20 5 FFBDRO C[C@H](NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1)[C@H]1CCC[NH2+]C1 ZINC000428978837 513239465 /nfs/dbraw/zinc/23/94/65/513239465.db2.gz PVXTUCYJAGAMTC-RDJZCZTQSA-N 1 0 374.485 2.949 20 5 FFBDRO CCC(CC)[C@H](CNS(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])[NH+](C)C ZINC000440077605 513241566 /nfs/dbraw/zinc/24/15/66/513241566.db2.gz KEOZMYOBFNBHJD-HNNXBMFYSA-N 1 0 357.476 2.548 20 5 FFBDRO CNC(=O)[C@H]1CC[N@H+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000421396792 513248208 /nfs/dbraw/zinc/24/82/08/513248208.db2.gz ZUKNAQAIQBEFMU-INIZCTEOSA-N 1 0 368.437 2.931 20 5 FFBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[N@@H+]([C@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000429023179 513260225 /nfs/dbraw/zinc/26/02/25/513260225.db2.gz DOXPTPZECWZEIZ-FSZRXZPDSA-N 1 0 360.458 2.584 20 5 FFBDRO O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000415437795 513261573 /nfs/dbraw/zinc/26/15/73/513261573.db2.gz LEMUHGSNRVZCPK-NXEZZACHSA-N 1 0 358.320 2.687 20 5 FFBDRO C[C@H]1CN(c2ccc(Cl)c(F)c2)CC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000429032021 513261589 /nfs/dbraw/zinc/26/15/89/513261589.db2.gz VYFOHKVWVQNMRJ-LBPRGKRZSA-N 1 0 367.812 2.795 20 5 FFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@]3(CCCc4ccccc43)C2)c1 ZINC000440326297 513293995 /nfs/dbraw/zinc/29/39/95/513293995.db2.gz MGKIUGDNHLQJON-AZUAARDMSA-N 1 0 370.453 2.522 20 5 FFBDRO C[C@@H]1C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)Cc2ccccc2O1 ZINC000429183461 513300928 /nfs/dbraw/zinc/30/09/28/513300928.db2.gz FLNWKIHXRKQASK-PBHICJAKSA-N 1 0 358.394 2.618 20 5 FFBDRO C[C@]1(c2ccccc2)CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000446724219 513324347 /nfs/dbraw/zinc/32/43/47/513324347.db2.gz YOYRUSUELMFLGY-QUCCMNQESA-N 1 0 356.422 2.998 20 5 FFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H]1Cc2cccc(O)c2C1 ZINC000429324124 513341206 /nfs/dbraw/zinc/34/12/06/513341206.db2.gz BHTVHMQJKMAYGS-AWEZNQCLSA-N 1 0 355.394 2.694 20 5 FFBDRO Cc1c(NC(=O)N2C[C@H](C)[NH2+]C[C@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC000415647246 513361580 /nfs/dbraw/zinc/36/15/80/513361580.db2.gz AKDNFIPNOJTKQS-DTWKUNHWSA-N 1 0 371.235 2.880 20 5 FFBDRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000418096368 513370150 /nfs/dbraw/zinc/37/01/50/513370150.db2.gz WZQPAXSLCSVSOX-FZMZJTMJSA-N 1 0 374.363 2.930 20 5 FFBDRO C[C@@H]1CN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)[C@@H](C)C[N@@H+]1CCO ZINC000418121602 513381372 /nfs/dbraw/zinc/38/13/72/513381372.db2.gz XGPFNDQHPGTYPX-CABCVRRESA-N 1 0 359.426 2.742 20 5 FFBDRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415699479 513386918 /nfs/dbraw/zinc/38/69/18/513386918.db2.gz IYUFUABNZGLNHL-TVQRCGJNSA-N 1 0 371.235 2.996 20 5 FFBDRO CO[C@@H]1CCN(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000415705614 513391247 /nfs/dbraw/zinc/39/12/47/513391247.db2.gz TZJDYPJFYOQUEB-UONOGXRCSA-N 1 0 364.446 2.862 20 5 FFBDRO CN(C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000415708663 513391833 /nfs/dbraw/zinc/39/18/33/513391833.db2.gz XSWQSSWRXCNRAH-UHFFFAOYSA-N 1 0 357.208 2.573 20 5 FFBDRO COc1cc(C(=O)NCc2ccc([C@H](C)[NH3+])cc2)cc([N+](=O)[O-])c1OC ZINC000429506512 513394997 /nfs/dbraw/zinc/39/49/97/513394997.db2.gz WMVKLFMMPZIMLL-NSHDSACASA-N 1 0 359.382 2.562 20 5 FFBDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)c3ccc(Br)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000425061070 513395585 /nfs/dbraw/zinc/39/55/85/513395585.db2.gz XVECMHRFXVLARR-IINYFYTJSA-N 1 0 368.231 2.524 20 5 FFBDRO CC(C)(CO)[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccccc1 ZINC000429721610 513451032 /nfs/dbraw/zinc/45/10/32/513451032.db2.gz KCCYAFNVEMOYLZ-KRWDZBQOSA-N 1 0 357.410 2.543 20 5 FFBDRO CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000447541154 513501746 /nfs/dbraw/zinc/50/17/46/513501746.db2.gz LIUZJUSGPJLUFX-UGUYLWEFSA-N 1 0 363.462 2.512 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCC[C@H]([C@H]4CCOC4)C3)n2)c1 ZINC000441197553 513510373 /nfs/dbraw/zinc/51/03/73/513510373.db2.gz AXLDZGXMWAWUJV-GJZGRUSLSA-N 1 0 358.398 2.893 20 5 FFBDRO Cc1nn(C)c(C)c1CCC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447588292 513515257 /nfs/dbraw/zinc/51/52/57/513515257.db2.gz UPRPCQZRTYSFJA-IRXDYDNUSA-N 1 0 360.462 2.848 20 5 FFBDRO Cc1cccc(C[C@H](CO)[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000447600123 513518750 /nfs/dbraw/zinc/51/87/50/513518750.db2.gz ZNNUIDYINMQPTB-KURKYZTESA-N 1 0 358.442 2.777 20 5 FFBDRO C[C@H]([NH3+])c1ccc(CNC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000418464661 513522438 /nfs/dbraw/zinc/52/24/38/513522438.db2.gz PUHNKJCJNXHJSA-ZDUSSCGKSA-N 1 0 370.409 2.719 20 5 FFBDRO CC(=O)[C@H](Cc1ccccc1)NC(=O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000451100940 513522789 /nfs/dbraw/zinc/52/27/89/513522789.db2.gz ZLEIBOYFLKUGBO-LIRRHRJNSA-N 1 0 369.421 2.562 20 5 FFBDRO C[C@H]([NH2+]CC(=O)NCCO[C@H]1CCCC[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000451108135 513529090 /nfs/dbraw/zinc/52/90/90/513529090.db2.gz VFXCIYOWZPSZMO-VKJFTORMSA-N 1 0 363.458 2.957 20 5 FFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000416008366 513534496 /nfs/dbraw/zinc/53/44/96/513534496.db2.gz NUHNGJFBOPSCEX-ZDUSSCGKSA-N 1 0 362.352 2.795 20 5 FFBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000422033688 513536333 /nfs/dbraw/zinc/53/63/33/513536333.db2.gz HYUYOLKHGRGFSF-CYBMUJFWSA-N 1 0 367.424 2.987 20 5 FFBDRO CC1(C)NC(=O)CC[C@H]1[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425439810 513567176 /nfs/dbraw/zinc/56/71/76/513567176.db2.gz CRZPWNFOCHOAFO-GFCCVEGCSA-N 1 0 356.220 2.504 20 5 FFBDRO C[NH+](C)C1(CNc2cc(CN3CCOCC3)ccc2[N+](=O)[O-])CCCC1 ZINC000447804466 513575508 /nfs/dbraw/zinc/57/55/08/513575508.db2.gz YTODXVKPCVWDHR-UHFFFAOYSA-N 1 0 362.474 2.713 20 5 FFBDRO CCOC(=O)c1ccnc(NC[C@H]2[N@H+](C)CCCC2(C)C)c1[N+](=O)[O-] ZINC000447812384 513578597 /nfs/dbraw/zinc/57/85/97/513578597.db2.gz LMJSAHGLZVBCFB-CYBMUJFWSA-N 1 0 350.419 2.699 20 5 FFBDRO COC(=O)COc1ccc(C[N@@H+]2CCC[C@@H](CSC)C2)cc1[N+](=O)[O-] ZINC000430198544 513587406 /nfs/dbraw/zinc/58/74/06/513587406.db2.gz RUEJGLLWLWAZFJ-CQSZACIVSA-N 1 0 368.455 2.722 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000416133498 513588568 /nfs/dbraw/zinc/58/85/68/513588568.db2.gz MWPCNVBBWIILQX-UHFFFAOYSA-N 1 0 369.421 2.668 20 5 FFBDRO C[C@H](O)C[C@H]1CCCCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000447840322 513593922 /nfs/dbraw/zinc/59/39/22/513593922.db2.gz RCZAIAVGFDHZKP-NWDGAFQWSA-N 1 0 355.822 2.812 20 5 FFBDRO O=C(c1cccc([N+](=O)[O-])c1)N(Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435569832 513621015 /nfs/dbraw/zinc/62/10/15/513621015.db2.gz LDSUGYJFBBLLLA-OAHLLOKOSA-N 1 0 372.450 2.836 20 5 FFBDRO Cc1ncsc1CN(C[C@@H]1CC[NH2+]C1)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000435596655 513630425 /nfs/dbraw/zinc/63/04/25/513630425.db2.gz GNEWKNRIIYTVBA-OAHLLOKOSA-N 1 0 374.466 2.541 20 5 FFBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@@H](C3CCOCC3)C3(CO)CCC3)nc2c1 ZINC000425552470 513636614 /nfs/dbraw/zinc/63/66/14/513636614.db2.gz ZHJZMPCCDVDVMG-SFHVURJKSA-N 1 0 374.441 2.519 20 5 FFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000418752820 513640805 /nfs/dbraw/zinc/64/08/05/513640805.db2.gz UKMDPSILSRWOTM-AWEZNQCLSA-N 1 0 356.373 2.512 20 5 FFBDRO CCN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCC[NH2+]CC1 ZINC000435626609 513642016 /nfs/dbraw/zinc/64/20/16/513642016.db2.gz LCJGMAXRYVDFJD-CYBMUJFWSA-N 1 0 354.838 2.651 20 5 FFBDRO COc1cccc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000435658129 513649470 /nfs/dbraw/zinc/64/94/70/513649470.db2.gz YKXQVHNZEZHWAA-HNNXBMFYSA-N 1 0 355.394 2.608 20 5 FFBDRO Cc1cc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)n(C2CC[NH+](C)CC2)n1 ZINC000430429689 513651380 /nfs/dbraw/zinc/65/13/80/513651380.db2.gz JLFOYPXQMJIKDG-UHFFFAOYSA-N 1 0 357.414 2.927 20 5 FFBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@@H](CCO)c2cccc(C(F)(F)F)c2)n1 ZINC000451301808 513664393 /nfs/dbraw/zinc/66/43/93/513664393.db2.gz CTQDSJUHYMTGQA-ZDUSSCGKSA-N 1 0 358.320 2.523 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000442093155 513666017 /nfs/dbraw/zinc/66/60/17/513666017.db2.gz GZTSQHUJQJBKFJ-VNHYZAJKSA-N 1 0 369.487 2.548 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000451341204 513688033 /nfs/dbraw/zinc/68/80/33/513688033.db2.gz KTIBYXRDXVPOMO-CGTJXYLNSA-N 1 0 361.442 2.857 20 5 FFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000430626525 513707049 /nfs/dbraw/zinc/70/70/49/513707049.db2.gz LMDUTTNTFDFARP-WFASDCNBSA-N 1 0 351.472 2.970 20 5 FFBDRO O=[N+]([O-])c1cnc(NCC2(O)CC[NH+](Cc3ccccc3)CC2)c(F)c1 ZINC000413554192 513711000 /nfs/dbraw/zinc/71/10/00/513711000.db2.gz PMOFTNJSMKRJCL-UHFFFAOYSA-N 1 0 360.389 2.568 20 5 FFBDRO CCOc1cc(C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)c([N+](=O)[O-])cc1OC ZINC000430719003 513732237 /nfs/dbraw/zinc/73/22/37/513732237.db2.gz IHLBDNRAUZECEF-INIZCTEOSA-N 1 0 365.430 2.510 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCC[C@@H]3[C@@H]3CCC[C@H]3O)n2)c1 ZINC000451420463 513739887 /nfs/dbraw/zinc/73/98/87/513739887.db2.gz PAHHYBSWNYBGRH-ARFHVFGLSA-N 1 0 358.398 2.770 20 5 FFBDRO Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)cccc1[N+](=O)[O-] ZINC000451430623 513747955 /nfs/dbraw/zinc/74/79/55/513747955.db2.gz YCBHJHSWOBHVIA-ZTFGCOKTSA-N 1 0 361.442 2.857 20 5 FFBDRO CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)C1 ZINC000416410436 513757009 /nfs/dbraw/zinc/75/70/09/513757009.db2.gz FYCKJVABBZSSSM-HNNXBMFYSA-N 1 0 369.487 2.564 20 5 FFBDRO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000430820418 513757331 /nfs/dbraw/zinc/75/73/31/513757331.db2.gz KAVDIKFNJZANDT-JKSUJKDBSA-N 1 0 365.478 2.507 20 5 FFBDRO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)C1 ZINC000416415093 513761248 /nfs/dbraw/zinc/76/12/48/513761248.db2.gz SSLCSPVOMAZJHQ-HNNXBMFYSA-N 1 0 369.487 2.564 20 5 FFBDRO CC1(C)[C@H]([NH2+]Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@@H]2CCCO[C@H]21 ZINC000451479807 513776487 /nfs/dbraw/zinc/77/64/87/513776487.db2.gz NGGOVBYMURSVJZ-NUEKZKHPSA-N 1 0 358.398 2.938 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1[C@@H](C)[C@@H](OC)C1(C)C ZINC000451491789 513786322 /nfs/dbraw/zinc/78/63/22/513786322.db2.gz CCCHZTGAAHJYER-SSKCKEOISA-N 1 0 365.430 2.581 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2nnc(C[NH2+][C@H]([C@H](CO)C3CC3)C3CC3)o2)cc1 ZINC000451587045 513848745 /nfs/dbraw/zinc/84/87/45/513848745.db2.gz HJYOIOPIABFWSO-WBVHZDCISA-N 1 0 358.398 2.532 20 5 FFBDRO CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000451588814 513849995 /nfs/dbraw/zinc/84/99/95/513849995.db2.gz GTYAKOHIKCWTOH-ZBFHGGJFSA-N 1 0 363.414 2.553 20 5 FFBDRO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000436426709 513852022 /nfs/dbraw/zinc/85/20/22/513852022.db2.gz XXBOSNMGUVYIPU-CYBMUJFWSA-N 1 0 367.424 2.844 20 5 FFBDRO O=C(C[NH2+][C@H]([C@@H](CO)C1CC1)C1CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000451606913 513862839 /nfs/dbraw/zinc/86/28/39/513862839.db2.gz MGNYHAOOOVKLEX-GUYCJALGSA-N 1 0 367.833 2.573 20 5 FFBDRO C[NH+](C)C1(CNC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CCC1 ZINC000426236158 513879872 /nfs/dbraw/zinc/87/98/72/513879872.db2.gz IPERHJOWRAGRGZ-UHFFFAOYSA-N 1 0 374.363 2.897 20 5 FFBDRO COc1c[nH+]ccc1N1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000431436363 513898424 /nfs/dbraw/zinc/89/84/24/513898424.db2.gz SYDGRZHMDRDWAG-UHFFFAOYSA-N 1 0 371.397 2.661 20 5 FFBDRO Cc1cc(OCC(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000431569717 513932988 /nfs/dbraw/zinc/93/29/88/513932988.db2.gz JOXMZLTYABFNPO-SFHVURJKSA-N 1 0 363.458 2.909 20 5 FFBDRO COc1cc(C(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)c([N+](=O)[O-])cc1F ZINC000448932285 513978316 /nfs/dbraw/zinc/97/83/16/513978316.db2.gz HSAWPQFBQBITMG-VXGBXAGGSA-N 1 0 353.394 2.735 20 5 FFBDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000448934724 513979773 /nfs/dbraw/zinc/97/97/73/513979773.db2.gz WTXJZFZBESZQPJ-GASCZTMLSA-N 1 0 361.442 2.937 20 5 FFBDRO Cc1cc(OCC(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000431835954 514014979 /nfs/dbraw/zinc/01/49/79/514014979.db2.gz XIODRUFGUVKTQO-CQSZACIVSA-N 1 0 363.458 2.909 20 5 FFBDRO CN1CCC[C@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])c2ccccc21 ZINC000451870593 514034915 /nfs/dbraw/zinc/03/49/15/514034915.db2.gz PPJYZCKVEXDTBM-WBVHZDCISA-N 1 0 371.437 2.895 20 5 FFBDRO CCc1cc(N2C[C@H]3CCC[C@@H](C2)[NH2+]3)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000420234202 514056692 /nfs/dbraw/zinc/05/66/92/514056692.db2.gz GWZQJHBDXPKTBL-IYBDPMFKSA-N 1 0 353.426 2.945 20 5 FFBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000449204067 514112535 /nfs/dbraw/zinc/11/25/35/514112535.db2.gz LXXROKGQEQCMEF-HZPDHXFCSA-N 1 0 360.458 2.635 20 5 FFBDRO COc1cc(CN[C@@H]2[C@H](C)CC[NH2+][C@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000420371958 514114075 /nfs/dbraw/zinc/11/40/75/514114075.db2.gz PXAZAWQHFDXZJY-HFBDOXOYSA-N 1 0 359.373 2.681 20 5 FFBDRO C[C@@H]([NH3+])c1ccc(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000423349953 514114697 /nfs/dbraw/zinc/11/46/97/514114697.db2.gz XXPKHGXHHPSCPQ-CQSZACIVSA-N 1 0 354.410 2.577 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000449214768 514116750 /nfs/dbraw/zinc/11/67/50/514116750.db2.gz ZFXITLRAXJXCQE-UXPWSPDFSA-N 1 0 369.465 2.751 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000449214767 514117120 /nfs/dbraw/zinc/11/71/20/514117120.db2.gz ZFXITLRAXJXCQE-NSISKUIASA-N 1 0 369.465 2.751 20 5 FFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(CS(C)(=O)=O)cc1 ZINC000449217937 514119112 /nfs/dbraw/zinc/11/91/12/514119112.db2.gz CYPUTNVBGFOJHS-CQSZACIVSA-N 1 0 362.451 2.860 20 5 FFBDRO Cn1ccnc1[C@H](NC[C@@H]1[NH2+]CCCC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000423392853 514126633 /nfs/dbraw/zinc/12/66/33/514126633.db2.gz QUWJQURYWVHMJK-DLBZAZTESA-N 1 0 357.458 2.786 20 5 FFBDRO O=C(CN1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000420412409 514138340 /nfs/dbraw/zinc/13/83/40/514138340.db2.gz ZBHYPLAKWPSRFJ-MLGOLLRUSA-N 1 0 366.849 2.651 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2noc(CN3CCCC[C@@H]3[C@H]3CC[NH2+]C3)n2)c1 ZINC000420413082 514138572 /nfs/dbraw/zinc/13/85/72/514138572.db2.gz ZPFVPAUHDQNXPO-GOEBONIOSA-N 1 0 357.414 2.609 20 5 FFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(S(C)(=O)=O)s1 ZINC000449272123 514140875 /nfs/dbraw/zinc/14/08/75/514140875.db2.gz KXJIVNSCVJYHLN-NSHDSACASA-N 1 0 354.453 2.781 20 5 FFBDRO COc1cccc([C@H]2C[C@H]([N@H+](C)CCn3cc([N+](=O)[O-])ccc3=O)C2)c1 ZINC000452021389 514140923 /nfs/dbraw/zinc/14/09/23/514140923.db2.gz SWPRWLCOEUNASF-JCNLHEQBSA-N 1 0 357.410 2.643 20 5 FFBDRO C[C@H]1CCCN(c2ccc(C(=O)NCC[C@H]3CCC[NH2+]3)cc2[N+](=O)[O-])C1 ZINC000444265528 514172920 /nfs/dbraw/zinc/17/29/20/514172920.db2.gz GNRALPIYNKNRAH-GOEBONIOSA-N 1 0 360.458 2.703 20 5 FFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CS(=O)(=O)c3ccccc32)c(Cl)c1 ZINC000449359844 514180238 /nfs/dbraw/zinc/18/02/38/514180238.db2.gz RONGDAHWNXLTLI-LBPRGKRZSA-N 1 0 366.826 2.909 20 5 FFBDRO C[N@H+]1CC=C(CNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)CC1 ZINC000444292593 514184121 /nfs/dbraw/zinc/18/41/21/514184121.db2.gz RXQWHHNCPQVJQW-UHFFFAOYSA-N 1 0 365.408 2.812 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C[C@@H]3CCCN3CCCO)o2)c1 ZINC000449385087 514188986 /nfs/dbraw/zinc/18/89/86/514188986.db2.gz DPDOCVNVCRAUJX-KRWDZBQOSA-N 1 0 359.426 2.791 20 5 FFBDRO COC[C@H]1CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000452106527 514194998 /nfs/dbraw/zinc/19/49/98/514194998.db2.gz QUOAIJDXBUKFFY-AWEZNQCLSA-N 1 0 365.430 2.681 20 5 FFBDRO CC(C)C[C@@H]([NH3+])c1noc(-c2cccc([N+](=O)[O-])c2N2CCOCC2)n1 ZINC000414614546 514206868 /nfs/dbraw/zinc/20/68/68/514206868.db2.gz HFSLALHNXXGKKC-CYBMUJFWSA-N 1 0 361.402 2.527 20 5 FFBDRO COc1cccc(C(=O)NCc2ccc(CC[NH+](C)C)cc2)c1[N+](=O)[O-] ZINC000444414940 514223771 /nfs/dbraw/zinc/22/37/71/514223771.db2.gz YXCXQPRPXPTBLN-UHFFFAOYSA-N 1 0 357.410 2.638 20 5 FFBDRO O=C(COc1ccccc1[N+](=O)[O-])NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000437873681 514257422 /nfs/dbraw/zinc/25/74/22/514257422.db2.gz IYNXGZIYTURYDL-MRXNPFEDSA-N 1 0 361.442 2.887 20 5 FFBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@@H](C)[C@H](C)[NH3+])cc1 ZINC000449584171 514262864 /nfs/dbraw/zinc/26/28/64/514262864.db2.gz CLTNWWJKOXXCBH-RYUDHWBXSA-N 1 0 359.382 2.861 20 5 FFBDRO CCOc1cc(NC(=O)N[C@@H](C[NH3+])CC(C)C)c([N+](=O)[O-])cc1OCC ZINC000414760827 514278252 /nfs/dbraw/zinc/27/82/52/514278252.db2.gz ROXTTZMJHYJFRP-GFCCVEGCSA-N 1 0 368.434 2.887 20 5 FFBDRO CC(C)(C)[C@H](C[NH3+])NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000423965733 514312188 /nfs/dbraw/zinc/31/21/88/514312188.db2.gz YQOVTBMEZNAQRC-SFHVURJKSA-N 1 0 351.450 2.644 20 5 FFBDRO CCc1ccc(C(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cc1[N+](=O)[O-] ZINC000423993947 514326181 /nfs/dbraw/zinc/32/61/81/514326181.db2.gz BMJPGYFIDZIIKR-WMZOPIPTSA-N 1 0 361.442 2.516 20 5 FFBDRO COc1cc(CNC[C@@]2(C)CCC[NH2+]C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000414898275 514346679 /nfs/dbraw/zinc/34/66/79/514346679.db2.gz BBSMDACIMIAHED-KRWDZBQOSA-N 1 0 373.400 2.727 20 5 FFBDRO C[C@@H]1C[C@@H](C)N(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000424054955 514360418 /nfs/dbraw/zinc/36/04/18/514360418.db2.gz ATZSBYQMUHDXGJ-UPJWGTAASA-N 1 0 369.849 2.849 20 5 FFBDRO [NH3+][C@@H]1CCC[C@H](CNC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000414960278 514376349 /nfs/dbraw/zinc/37/63/49/514376349.db2.gz YBXHYCQWWXWMRT-VHSXEESVSA-N 1 0 358.345 2.835 20 5 FFBDRO C[NH+](C)CCN(Cc1cccs1)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000438469760 514385213 /nfs/dbraw/zinc/38/52/13/514385213.db2.gz XHZCBUURCVWYGQ-UHFFFAOYSA-N 1 0 351.403 2.999 20 5 FFBDRO CCS(=O)(=O)N(C)CCC[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433172799 514405809 /nfs/dbraw/zinc/40/58/09/514405809.db2.gz IJTRCIBVUFCSRT-INIZCTEOSA-N 1 0 369.487 2.578 20 5 FFBDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000445086551 514408992 /nfs/dbraw/zinc/40/89/92/514408992.db2.gz TWDJIKKKTSQHGH-CHWSQXEVSA-N 1 0 374.445 2.533 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+]CC2(SC)CCC2)cc1[N+](=O)[O-] ZINC000433209211 514423537 /nfs/dbraw/zinc/42/35/37/514423537.db2.gz QDXZANWPJBUAFF-UHFFFAOYSA-N 1 0 354.428 2.522 20 5 FFBDRO C[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CC(OC(C)(C)C)C1 ZINC000420997620 514430422 /nfs/dbraw/zinc/43/04/22/514430422.db2.gz ACXPAYQUMHXREH-SHARSMKWSA-N 1 0 352.431 2.612 20 5 FFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCN(C)C(=O)C1 ZINC000424336627 514459642 /nfs/dbraw/zinc/45/96/42/514459642.db2.gz ZBJMDYOXJPAQHT-KGLIPLIRSA-N 1 0 351.472 2.924 20 5 FFBDRO Cc1cc([C@@H](C)[NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cs1 ZINC000453082964 514539125 /nfs/dbraw/zinc/53/91/25/514539125.db2.gz JBQKYUCHQZCGCP-GFCCVEGCSA-N 1 0 369.468 2.594 20 5 FFBDRO CC[NH+]1CCC(CCNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000461230483 514547418 /nfs/dbraw/zinc/54/74/18/514547418.db2.gz RSVJLDRVJVNWHP-UHFFFAOYSA-N 1 0 358.442 2.788 20 5 FFBDRO C[C@@H]1C[N@@H+](C2CCN(c3nccc4c3cccc4[N+](=O)[O-])CC2)CCO1 ZINC000450262628 514571228 /nfs/dbraw/zinc/57/12/28/514571228.db2.gz TXFAAPIBUHNOTE-CQSZACIVSA-N 1 0 356.426 2.833 20 5 FFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@@H]1C[C@H](F)CN1Cc1ncccn1 ZINC000470822257 514628480 /nfs/dbraw/zinc/62/84/80/514628480.db2.gz QHMKBXQOYMJJDN-ZVZYQTTQSA-N 1 0 373.432 2.990 20 5 FFBDRO CC[NH+](CC)[C@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)c1ccsc1 ZINC000502379571 514630120 /nfs/dbraw/zinc/63/01/20/514630120.db2.gz HXHTUHXLVQTJFY-CYBMUJFWSA-N 1 0 360.443 2.616 20 5 FFBDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C)C[C@@H](C)C1 ZINC000453428745 514632634 /nfs/dbraw/zinc/63/26/34/514632634.db2.gz QMHSUGIWXHGTDG-ZQIUZPCESA-N 1 0 370.457 2.557 20 5 FFBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000461544931 514651392 /nfs/dbraw/zinc/65/13/92/514651392.db2.gz RKRNHUAPUBYZMP-AWEZNQCLSA-N 1 0 374.441 2.758 20 5 FFBDRO CNc1nc(C(=O)Nc2ccc(C)cc2OCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000455709579 514696056 /nfs/dbraw/zinc/69/60/56/514696056.db2.gz HHRYFDLCASOKOC-UHFFFAOYSA-N 1 0 373.413 2.533 20 5 FFBDRO CN(C(=O)CNc1ccccc1[N+](=O)[O-])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475546129 514711775 /nfs/dbraw/zinc/71/17/75/514711775.db2.gz GDPIUYZEDHPUPJ-KRWDZBQOSA-N 1 0 368.437 2.740 20 5 FFBDRO CCOc1cc(C(=O)N(C)CCC[NH+]2CCCC2)c([N+](=O)[O-])cc1OC ZINC000508403677 514768159 /nfs/dbraw/zinc/76/81/59/514768159.db2.gz QIQUMNJWPFVNKR-UHFFFAOYSA-N 1 0 365.430 2.560 20 5 FFBDRO O=C(CC[NH+]1CCC(Oc2ccccn2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000471146238 514770080 /nfs/dbraw/zinc/77/00/80/514770080.db2.gz XVXHSXFJBHWDSL-UHFFFAOYSA-N 1 0 370.409 2.862 20 5 FFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@](C)(O)C(=O)OC(C)(C)C ZINC000484747509 514780378 /nfs/dbraw/zinc/78/03/78/514780378.db2.gz AJCAWMPQTMAKDE-UGSOOPFHSA-N 1 0 352.431 2.598 20 5 FFBDRO CC[C@@H](CO)[NH+]1CCN(c2cc(C)c([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000461948329 514801138 /nfs/dbraw/zinc/80/11/38/514801138.db2.gz ROPFHHLQJVRXJJ-LBPRGKRZSA-N 1 0 361.364 2.815 20 5 FFBDRO Cc1cc(N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000461971017 514811749 /nfs/dbraw/zinc/81/17/49/514811749.db2.gz GUGMQRFOGUIXBA-ZBFHGGJFSA-N 1 0 350.438 2.505 20 5 FFBDRO COc1c(C(=O)N2C[C@H]([NH+](C)C)Cc3ccccc32)cccc1[N+](=O)[O-] ZINC000475801765 514817234 /nfs/dbraw/zinc/81/72/34/514817234.db2.gz RTGNGVJPOKDNPE-CQSZACIVSA-N 1 0 355.394 2.737 20 5 FFBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000508763564 514888175 /nfs/dbraw/zinc/88/81/75/514888175.db2.gz IDRZQGIRUWMXME-OWCLPIDISA-N 1 0 362.474 2.879 20 5 FFBDRO C[C@@H](CCNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)[N@H+](C)Cc1ccccc1 ZINC000471463583 514895893 /nfs/dbraw/zinc/89/58/93/514895893.db2.gz ZDCGURAFQNWTJR-HNNXBMFYSA-N 1 0 373.457 2.553 20 5 FFBDRO CC(C)OCC[C@H](O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000471551929 514926622 /nfs/dbraw/zinc/92/66/22/514926622.db2.gz QLRDCXAAUZZIHV-INIZCTEOSA-N 1 0 352.431 2.614 20 5 FFBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000458645592 514985319 /nfs/dbraw/zinc/98/53/19/514985319.db2.gz XPLOMMGFAGOTSG-OAHLLOKOSA-N 1 0 368.865 2.915 20 5 FFBDRO CC[NH+]1CCN([C@@H](C)CNc2ccc([N+](=O)[O-])cc2OC(F)F)CC1 ZINC000509028056 514994943 /nfs/dbraw/zinc/99/49/43/514994943.db2.gz AAWFUBYBDWOWLA-LBPRGKRZSA-N 1 0 358.389 2.634 20 5 FFBDRO CC(C)OCC[NH+]1CCC(Nc2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000509036823 514999150 /nfs/dbraw/zinc/99/91/50/514999150.db2.gz CJJCXOQOWQYSFQ-UHFFFAOYSA-N 1 0 359.430 2.839 20 5 FFBDRO C[NH+](C)CCCC(C)(C)NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000456197666 515016214 /nfs/dbraw/zinc/01/62/14/515016214.db2.gz IZFFQXQEVJXMFP-UHFFFAOYSA-N 1 0 359.430 2.631 20 5 FFBDRO CCCCN(C(=O)c1cc([N+](=O)[O-])nn1C)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000476386637 515029969 /nfs/dbraw/zinc/02/99/69/515029969.db2.gz DJAKWGXHEYKJSE-UHFFFAOYSA-N 1 0 365.478 2.880 20 5 FFBDRO C[C@H](O)C[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)[C@@H](C)C1 ZINC000485418757 515033901 /nfs/dbraw/zinc/03/39/01/515033901.db2.gz VQTYRDPKGVYNPA-KBPBESRZSA-N 1 0 374.416 2.687 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@@H]1CCC[C@H]1OC(F)F ZINC000503530382 515073196 /nfs/dbraw/zinc/07/31/96/515073196.db2.gz FKIIOWVVFOYXOL-GLXFQSAKSA-N 1 0 373.356 2.680 20 5 FFBDRO C[NH+](C)[C@H]1CCc2cc(NC(=O)C(=O)Nc3cccc([N+](=O)[O-])c3)ccc21 ZINC000453990185 515105147 /nfs/dbraw/zinc/10/51/47/515105147.db2.gz OYNVOLLYTUPADV-KRWDZBQOSA-N 1 0 368.393 2.721 20 5 FFBDRO CCOC(=O)c1cc(NC[C@@]2([NH+](C)C)CCSC2)ccc1[N+](=O)[O-] ZINC000467795822 515123678 /nfs/dbraw/zinc/12/36/78/515123678.db2.gz DBRGCKZWMWBQNS-INIZCTEOSA-N 1 0 353.444 2.621 20 5 FFBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(C)CC[NH+](C(C)C)C(C)C)c1C ZINC000503980534 515187909 /nfs/dbraw/zinc/18/79/09/515187909.db2.gz FYNAKUCTPCRIPK-UHFFFAOYSA-N 1 0 371.503 2.951 20 5 FFBDRO CCC[N@@H+]1CC[C@@H](CNc2cc(CN3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000472345129 515236344 /nfs/dbraw/zinc/23/63/44/515236344.db2.gz VJIMWFQAASOZAI-KRWDZBQOSA-N 1 0 362.474 2.571 20 5 FFBDRO CCC(CC)(CC(=O)OC)[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000472433778 515268792 /nfs/dbraw/zinc/26/87/92/515268792.db2.gz UMEYPYLUDIYZHJ-UHFFFAOYSA-N 1 0 371.821 2.898 20 5 FFBDRO CCN(CCn1cc([N+](=O)[O-])cn1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000472440710 515271840 /nfs/dbraw/zinc/27/18/40/515271840.db2.gz RXUJBCSFGWFXKA-WMZOPIPTSA-N 1 0 357.458 2.949 20 5 FFBDRO COc1ccc(-c2ccc(CN3CC(=O)N(C)[C@@H](C)C3)o2)c([N+](=O)[O-])c1 ZINC000504541555 515324277 /nfs/dbraw/zinc/32/42/77/515324277.db2.gz NAENUNMVPPXKPI-LBPRGKRZSA-N 1 0 359.382 2.526 20 5 FFBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463135236 515378132 /nfs/dbraw/zinc/37/81/32/515378132.db2.gz WBYQMCCWWMJFQQ-VXGBXAGGSA-N 1 0 357.332 2.970 20 5 FFBDRO CCOc1cc(NC(=O)NC(C)(C)C[NH+](C)C)c([N+](=O)[O-])cc1OCC ZINC000454353259 515425245 /nfs/dbraw/zinc/42/52/45/515425245.db2.gz UJPOIWJKCBMSKS-UHFFFAOYSA-N 1 0 368.434 2.854 20 5 FFBDRO C[C@]1(c2ccccc2)CCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000510089588 515431110 /nfs/dbraw/zinc/43/11/10/515431110.db2.gz WXABREHIBCKDLP-OALUTQOASA-N 1 0 358.442 2.596 20 5 FFBDRO CC(C)C[N@@H+]1CCO[C@@H](CNc2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000486439927 515482830 /nfs/dbraw/zinc/48/28/30/515482830.db2.gz VIMMPLXQXQANTL-ZDUSSCGKSA-N 1 0 359.373 2.965 20 5 FFBDRO CN(CCC[NH+]1CCCC1)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000499935659 515522417 /nfs/dbraw/zinc/52/24/17/515522417.db2.gz LVMRZJRFGBRTMW-UHFFFAOYSA-N 1 0 354.838 2.604 20 5 FFBDRO CC(C)OC1CC([N@@H+]2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)C1 ZINC000459397917 515523915 /nfs/dbraw/zinc/52/39/15/515523915.db2.gz IAARUFDJJONYQF-UHFFFAOYSA-N 1 0 373.457 2.939 20 5 FFBDRO CC[C@@H](C)[NH2+][C@@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000510385643 515524609 /nfs/dbraw/zinc/52/46/09/515524609.db2.gz BKTRHIXFTKSOKA-DOMZBBRYSA-N 1 0 367.427 2.596 20 5 FFBDRO C[C@@H]([NH2+]Cc1ccc([C@@]2(C)NC(=O)NC2=O)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000482073734 515567541 /nfs/dbraw/zinc/56/75/41/515567541.db2.gz GNZYDGPAIGQGET-CWTRNNRKSA-N 1 0 368.393 2.500 20 5 FFBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC000510541905 515576483 /nfs/dbraw/zinc/57/64/83/515576483.db2.gz VOLBAZBSTUYZLL-LIRRHRJNSA-N 1 0 373.457 2.606 20 5 FFBDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000486666928 515587845 /nfs/dbraw/zinc/58/78/45/515587845.db2.gz SKYFEXRPBQAGHR-ZDUSSCGKSA-N 1 0 369.412 2.900 20 5 FFBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[N@H+]1CCCC[C@H]1CC ZINC000500110937 515594584 /nfs/dbraw/zinc/59/45/84/515594584.db2.gz LOOWREPLHNXWPM-OAHLLOKOSA-N 1 0 369.487 2.700 20 5 FFBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[N@H+]1CCCC[C@@H]1CC ZINC000500110935 515595776 /nfs/dbraw/zinc/59/57/76/515595776.db2.gz LOOWREPLHNXWPM-HNNXBMFYSA-N 1 0 369.487 2.700 20 5 FFBDRO CCOc1cc(C(=O)N2C[C@@H](C)[N@H+](CC)C[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000500122868 515599951 /nfs/dbraw/zinc/59/99/51/515599951.db2.gz QAYBRNPHBFVTLU-OLZOCXBDSA-N 1 0 365.430 2.557 20 5 FFBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C1 ZINC000457090284 515640693 /nfs/dbraw/zinc/64/06/93/515640693.db2.gz LXPWSOODHUSGTN-OAHLLOKOSA-N 1 0 357.414 2.540 20 5 FFBDRO CCOc1cc(C(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000457135113 515679027 /nfs/dbraw/zinc/67/90/27/515679027.db2.gz VZOIJTNUSJTHPC-ZDUSSCGKSA-N 1 0 365.430 2.557 20 5 FFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)CC[NH+](C(C)C)C(C)C ZINC000505844783 515693225 /nfs/dbraw/zinc/69/32/25/515693225.db2.gz IEVGHSOSDMTFFY-UHFFFAOYSA-N 1 0 350.463 2.892 20 5 FFBDRO C[C@@H](C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000482526969 515708640 /nfs/dbraw/zinc/70/86/40/515708640.db2.gz HCUMGZRUNJYFLE-OAHLLOKOSA-N 1 0 362.451 2.837 20 5 FFBDRO Cc1ccc([C@H](C)[NH2+]CCc2nnnn2-c2ccccc2)cc1[N+](=O)[O-] ZINC000510975477 515733767 /nfs/dbraw/zinc/73/37/67/515733767.db2.gz CATFYJIEAJGRLR-AWEZNQCLSA-N 1 0 352.398 2.772 20 5 FFBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[NH2+]C3(CO)CCSCC3)o2)c1 ZINC000459695465 515747929 /nfs/dbraw/zinc/74/79/29/515747929.db2.gz KSCUTVACVXHDIX-UHFFFAOYSA-N 1 0 363.439 2.640 20 5 FFBDRO CCCC[N@@H+]1CCCC[C@@H]1CNc1ncc(C(=O)OC)cc1[N+](=O)[O-] ZINC000478260053 515756697 /nfs/dbraw/zinc/75/66/97/515756697.db2.gz QNUZCTSPVKTNGR-CQSZACIVSA-N 1 0 350.419 2.843 20 5 FFBDRO CC[C@H](CO)[NH+]1CCN(c2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)CC1 ZINC000487112635 515763967 /nfs/dbraw/zinc/76/39/67/515763967.db2.gz VSSIHOSTYZIJRM-CQSZACIVSA-N 1 0 351.447 2.665 20 5 FFBDRO COC(=O)c1cccc(OCC[N@H+](C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000511073210 515766594 /nfs/dbraw/zinc/76/65/94/515766594.db2.gz IXBCGQHXBKPTRN-UHFFFAOYSA-N 1 0 358.394 2.935 20 5 FFBDRO COc1ccc(OCC[N@H+](CCO)Cc2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000494253247 515784860 /nfs/dbraw/zinc/78/48/60/515784860.db2.gz GJEFRWWGULUJJG-UHFFFAOYSA-N 1 0 364.373 2.616 20 5 FFBDRO CCOc1cc(N2CC[NH+](CCCCCOC)CC2)ccc1[N+](=O)[O-] ZINC000482892905 515839463 /nfs/dbraw/zinc/83/94/63/515839463.db2.gz ZBLRVLWGHWXUPC-UHFFFAOYSA-N 1 0 351.447 2.932 20 5 FFBDRO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000469508708 515845766 /nfs/dbraw/zinc/84/57/66/515845766.db2.gz OSEYIXGCGREOMR-INIZCTEOSA-N 1 0 358.442 2.820 20 5 FFBDRO CCOc1ccc([C@H](C)[NH2+]CCN2CCO[C@H](CC)C2)cc1[N+](=O)[O-] ZINC000494511711 515866062 /nfs/dbraw/zinc/86/60/62/515866062.db2.gz HMPFRBGQIJAAIA-GOEBONIOSA-N 1 0 351.447 2.755 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000494606962 515895157 /nfs/dbraw/zinc/89/51/57/515895157.db2.gz CYZACJQFIXLXNX-CQSZACIVSA-N 1 0 369.421 2.780 20 5 FFBDRO Cc1cc(N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)ncc1[N+](=O)[O-] ZINC000474152232 515908240 /nfs/dbraw/zinc/90/82/40/515908240.db2.gz TZWLQGASRSYUCW-DLBZAZTESA-N 1 0 356.426 2.593 20 5 FFBDRO Cn1cnc([N+](=O)[O-])c1N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000474168362 515914176 /nfs/dbraw/zinc/91/41/76/515914176.db2.gz JPHKWWLBTNWWOC-IBGZPJMESA-N 1 0 355.442 2.821 20 5 FFBDRO CCOC(=O)CC(C)(C)[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000500986719 515929382 /nfs/dbraw/zinc/92/93/82/515929382.db2.gz YWYFQJGNDDOSFI-UHFFFAOYSA-N 1 0 351.403 2.587 20 5 FFBDRO CO[C@@]1(C)C[C@@H]([N@H+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1(C)C ZINC000464820541 515972090 /nfs/dbraw/zinc/97/20/90/515972090.db2.gz FQBZTXYZDQUHEH-APWZRJJASA-N 1 0 361.442 2.619 20 5 FFBDRO CCOc1cc(CN2CCN(c3cc[nH+]cc3OC)CC2)ccc1[N+](=O)[O-] ZINC000483220053 515992596 /nfs/dbraw/zinc/99/25/96/515992596.db2.gz NCEVVTOJBZBWMJ-UHFFFAOYSA-N 1 0 372.425 2.719 20 5 FFBDRO C[C@@H](CNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[N@H+](C)C1CC1 ZINC000494877565 515994961 /nfs/dbraw/zinc/99/49/61/515994961.db2.gz IFRCMLQRDKFDHS-JTQLQIEISA-N 1 0 374.363 2.896 20 5 FFBDRO CC[C@H]([NH2+]Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)c1ccncc1 ZINC000474356683 516008186 /nfs/dbraw/zinc/00/81/86/516008186.db2.gz SGFBTFVPXKMZRY-HNNXBMFYSA-N 1 0 359.382 2.783 20 5 FFBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2C[C@@H]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000474369648 516015423 /nfs/dbraw/zinc/01/54/23/516015423.db2.gz JEKNYEBIMNDBBP-DLBZAZTESA-N 1 0 370.405 2.867 20 5 FFBDRO C[C@@H](CNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000487894632 516021557 /nfs/dbraw/zinc/02/15/57/516021557.db2.gz ISSRRAHHZMDGEM-ZDUSSCGKSA-N 1 0 368.865 2.822 20 5 FFBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000487898350 516022877 /nfs/dbraw/zinc/02/28/77/516022877.db2.gz PMPHRJDRVWDDNZ-ZDUSSCGKSA-N 1 0 368.865 2.964 20 5 FFBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000501450763 516109135 /nfs/dbraw/zinc/10/91/35/516109135.db2.gz XFZSNUSJUBUSDO-CABCVRRESA-N 1 0 358.442 2.786 20 5 FFBDRO C[N@@H+]1CCCC[C@H]1CN1CCN(c2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000488082122 516109302 /nfs/dbraw/zinc/10/93/02/516109302.db2.gz CTOYTRGXCKCBCN-INIZCTEOSA-N 1 0 369.469 2.749 20 5 FFBDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000470114784 516126030 /nfs/dbraw/zinc/12/60/30/516126030.db2.gz MAHQSOUTWQCZPL-INIZCTEOSA-N 1 0 368.409 2.699 20 5 FFBDRO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000470152524 516147364 /nfs/dbraw/zinc/14/73/64/516147364.db2.gz NJMZDIUJHQDUSU-DFHBCGBQSA-N 1 0 355.394 2.941 20 5 FFBDRO Cc1c(CNC(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000479325372 516150293 /nfs/dbraw/zinc/15/02/93/516150293.db2.gz SQTHZVHFRLBKDS-QGZVFWFLSA-N 1 0 360.458 2.967 20 5 FFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000470185050 516168483 /nfs/dbraw/zinc/16/84/83/516168483.db2.gz YAZIRTAWPYTXLS-LDQLGUEGSA-N 1 0 372.513 2.956 20 5 FFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCN(c2ncc(F)cn2)CC1 ZINC000470209042 516172889 /nfs/dbraw/zinc/17/28/89/516172889.db2.gz WYRPOOAXNMNUBI-ZROIWOOFSA-N 1 0 357.389 2.749 20 5 FFBDRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000465535181 516183210 /nfs/dbraw/zinc/18/32/10/516183210.db2.gz WRRZKJAJFQUVNC-HOTGVXAUSA-N 1 0 362.474 2.805 20 5 FFBDRO CC1=CCC[C@H](C)[C@@H]1C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000479435583 516192434 /nfs/dbraw/zinc/19/24/34/516192434.db2.gz GKLKQSRSABZSGJ-WMLDXEAASA-N 1 0 352.456 2.951 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000512251901 516211979 /nfs/dbraw/zinc/21/19/79/516211979.db2.gz TZXVYABPDQIQKF-UHFFFAOYSA-N 1 0 357.410 2.774 20 5 FFBDRO CCC(CC)(CNC(=O)c1cc([N+](=O)[O-])n[nH]1)[NH2+][C@@H](C)c1ccccc1 ZINC000512274756 516220519 /nfs/dbraw/zinc/22/05/19/516220519.db2.gz FASQZMOJTCERHX-ZDUSSCGKSA-N 1 0 359.430 2.957 20 5 FFBDRO C[C@@H]1CCC[C@](CNC(=O)NCCc2ccccc2[N+](=O)[O-])([NH+](C)C)C1 ZINC000465703429 516232728 /nfs/dbraw/zinc/23/27/28/516232728.db2.gz ZDQAEYSEWQJAOT-BEFAXECRSA-N 1 0 362.474 2.947 20 5 FFBDRO CC(C)C[C@H]([NH3+])C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000496224828 516245671 /nfs/dbraw/zinc/24/56/71/516245671.db2.gz UWVXACXKBOBZSP-NSHDSACASA-N 1 0 362.352 2.515 20 5 FFBDRO C[N@H+](Cc1ccccc1)C1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000512415016 516270476 /nfs/dbraw/zinc/27/04/76/516270476.db2.gz IWDGVCZTXHPKFH-UHFFFAOYSA-N 1 0 353.422 2.870 20 5 FFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC000488704096 516289625 /nfs/dbraw/zinc/28/96/25/516289625.db2.gz XYJNJBPPNLFLNA-UHFFFAOYSA-N 1 0 369.421 2.733 20 5 FFBDRO CCN(CCC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)CC(F)(F)F ZINC000488713954 516291547 /nfs/dbraw/zinc/29/15/47/516291547.db2.gz MENGGKDOBXAPRF-UHFFFAOYSA-N 1 0 363.384 2.703 20 5 FFBDRO C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000497402521 516319921 /nfs/dbraw/zinc/31/99/21/516319921.db2.gz UOBZKZQLIIBBQW-DOTOQJQBSA-N 1 0 364.405 2.904 20 5 FFBDRO CCCN(CC[NH+]1CCCCC1)C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000557631652 516347964 /nfs/dbraw/zinc/34/79/64/516347964.db2.gz XHRUHTPGTXIGNJ-UHFFFAOYSA-N 1 0 352.410 2.654 20 5 FFBDRO CC[C@@H]1CN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)C[C@@H](C)S1(=O)=O ZINC000557751244 516419936 /nfs/dbraw/zinc/41/99/36/516419936.db2.gz QURJNVNDZGXWRU-TZMCWYRMSA-N 1 0 363.439 2.853 20 5 FFBDRO COc1ccc(CC(=O)N2CC[N@H+](C)CC23CCCCC3)cc1[N+](=O)[O-] ZINC000531389914 516445017 /nfs/dbraw/zinc/44/50/17/516445017.db2.gz XGFVDGOHGABJDJ-UHFFFAOYSA-N 1 0 361.442 2.623 20 5 FFBDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000523354779 516447931 /nfs/dbraw/zinc/44/79/31/516447931.db2.gz IXEYQYFSBJUTSA-ZDUSSCGKSA-N 1 0 352.410 2.701 20 5 FFBDRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000535695189 516452495 /nfs/dbraw/zinc/45/24/95/516452495.db2.gz ZYHOSYGISKLYON-CQSZACIVSA-N 1 0 356.426 2.880 20 5 FFBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000523532476 516499230 /nfs/dbraw/zinc/49/92/30/516499230.db2.gz NYITXQWEYIYDDY-LLVKDONJSA-N 1 0 370.247 2.817 20 5 FFBDRO COc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)cc1[N+](=O)[O-] ZINC000543926665 516499755 /nfs/dbraw/zinc/49/97/55/516499755.db2.gz OOENRKRYPYCDPY-HNNXBMFYSA-N 1 0 370.409 2.849 20 5 FFBDRO NC(=O)[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000544095303 516577396 /nfs/dbraw/zinc/57/73/96/516577396.db2.gz OMTQAFNPTPPWAE-HNNXBMFYSA-N 1 0 367.327 2.800 20 5 FFBDRO COc1ccccc1C[C@@H](C)[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000544147272 516614512 /nfs/dbraw/zinc/61/45/12/516614512.db2.gz YSRSHCDXRVZLEY-NVXWUHKLSA-N 1 0 374.437 2.906 20 5 FFBDRO CCC[NH+]1CCC(CNC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC1 ZINC000524451231 516723650 /nfs/dbraw/zinc/72/36/50/516723650.db2.gz OYFKPZNDTNTGEM-UHFFFAOYSA-N 1 0 371.441 2.632 20 5 FFBDRO COc1ccc([C@H](C[NH+](C)C)NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000551533857 516748421 /nfs/dbraw/zinc/74/84/21/516748421.db2.gz IUPYMLSRMYZAKS-KRWDZBQOSA-N 1 0 357.410 2.945 20 5 FFBDRO O=C(NCc1ccc(OCC[NH+]2CCCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000524696091 516790842 /nfs/dbraw/zinc/79/08/42/516790842.db2.gz RXWQCUGIMHZBGZ-UHFFFAOYSA-N 1 0 369.421 2.999 20 5 FFBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000558596187 516828013 /nfs/dbraw/zinc/82/80/13/516828013.db2.gz JEGNBSLDVVCTBW-SJORKVTESA-N 1 0 368.437 2.527 20 5 FFBDRO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000541064562 516854564 /nfs/dbraw/zinc/85/45/64/516854564.db2.gz KKWQIERATZCHMO-TZMCWYRMSA-N 1 0 369.849 2.611 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)C[C@H]1C ZINC000544655994 516857225 /nfs/dbraw/zinc/85/72/25/516857225.db2.gz VGEJWRDABHVNSO-HIFRSBDPSA-N 1 0 369.487 2.705 20 5 FFBDRO Cn1ccnc1[C@H](N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000514098397 516861865 /nfs/dbraw/zinc/86/18/65/516861865.db2.gz GOWHRWNYJABYSY-LZLYRXPVSA-N 1 0 355.442 2.634 20 5 FFBDRO COc1ccc(NC(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000541106688 516879923 /nfs/dbraw/zinc/87/99/23/516879923.db2.gz UPAHZQKNWVBKJU-OLZOCXBDSA-N 1 0 350.419 2.845 20 5 FFBDRO C[C@H](O)C[N@@H+]1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)[C@@H](C)C1 ZINC000551821240 516890453 /nfs/dbraw/zinc/89/04/53/516890453.db2.gz JCEGMQHFOXBBRM-GJZGRUSLSA-N 1 0 359.426 2.742 20 5 FFBDRO C[NH+](C)CC1(CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CCCC1 ZINC000544735546 516902253 /nfs/dbraw/zinc/90/22/53/516902253.db2.gz TXERBOALLKTAAX-UHFFFAOYSA-N 1 0 358.442 2.788 20 5 FFBDRO O=C(Cc1ccccc1[N+](=O)[O-])N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000514498712 516933948 /nfs/dbraw/zinc/93/39/48/516933948.db2.gz YTKXMOUMVLCQQO-GOSISDBHSA-N 1 0 353.422 2.918 20 5 FFBDRO COC(=O)c1cnc(N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000514752254 517037796 /nfs/dbraw/zinc/03/77/96/517037796.db2.gz QGEJOVSOYGFIOQ-CJNGLKHVSA-N 1 0 370.409 2.851 20 5 FFBDRO CC1=CC[N@H+](CCNC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CC1 ZINC000545162488 517081965 /nfs/dbraw/zinc/08/19/65/517081965.db2.gz HZSPKCCMLDRIFK-UHFFFAOYSA-N 1 0 355.341 2.578 20 5 FFBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000545228458 517117677 /nfs/dbraw/zinc/11/76/77/517117677.db2.gz ZSGQSROALBUDHZ-LBPRGKRZSA-N 1 0 354.838 2.778 20 5 FFBDRO COC(=O)[C@H]1CCCC[C@@]1(C)[NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000537273444 517119327 /nfs/dbraw/zinc/11/93/27/517119327.db2.gz JMOHNZSZJFOMPU-FZKQIMNGSA-N 1 0 363.414 2.553 20 5 FFBDRO O=[N+]([O-])c1cccc2ncnc(NCCC[N@@H+]3CCc4ccccc4C3)c21 ZINC000541578469 517122477 /nfs/dbraw/zinc/12/24/77/517122477.db2.gz NXPLFSQRSWPDID-UHFFFAOYSA-N 1 0 363.421 2.820 20 5 FFBDRO CC[C@@H]([NH2+]C[C@@H](N1CCOCC1)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000514956326 517143312 /nfs/dbraw/zinc/14/33/12/517143312.db2.gz CNGLEFLHOZKMST-HUUCEWRRSA-N 1 0 361.364 2.899 20 5 FFBDRO CCc1cccc(OC[C@H](O)C[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000555911502 517180086 /nfs/dbraw/zinc/18/00/86/517180086.db2.gz FBEGNWXMWUCWRS-MRXNPFEDSA-N 1 0 360.410 2.695 20 5 FFBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]CC1(N2CCOCC2)CC1 ZINC000515052984 517190186 /nfs/dbraw/zinc/19/01/86/517190186.db2.gz YJYFROUXVBLDSU-SJLPKXTDSA-N 1 0 359.470 2.760 20 5 FFBDRO COCCNC(=O)[C@H](Cc1ccccc1)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000537451580 517192758 /nfs/dbraw/zinc/19/27/58/517192758.db2.gz GBCNEFMXWCONJF-BEFAXECRSA-N 1 0 371.437 2.619 20 5 FFBDRO CN(C)[C@@H](C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000548761225 517195920 /nfs/dbraw/zinc/19/59/20/517195920.db2.gz VFEWYHDLFIVSMG-SFHVURJKSA-N 1 0 356.426 2.816 20 5 FFBDRO C[C@H](Nc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000515100490 517211540 /nfs/dbraw/zinc/21/15/40/517211540.db2.gz AMRNLKAMTVSAOH-ZDUSSCGKSA-N 1 0 373.457 2.948 20 5 FFBDRO CC(C)C[C@@H](CNC(=O)c1c([N+](=O)[O-])cnn1C)[NH2+][C@@H](C)c1ccccc1 ZINC000537519474 517216347 /nfs/dbraw/zinc/21/63/47/517216347.db2.gz DEYYYMLBGTUJMB-HOCLYGCPSA-N 1 0 373.457 2.824 20 5 FFBDRO COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)c2cc([N+](=O)[O-])cn2C)cc1 ZINC000541856782 517255670 /nfs/dbraw/zinc/25/56/70/517255670.db2.gz FSPIGTANCCKPRI-QGZVFWFLSA-N 1 0 372.425 2.509 20 5 FFBDRO Cc1ccc([C@@H](CNC(=O)COc2ccc([N+](=O)[O-])cc2)[NH+](C)C)cc1 ZINC000520062102 517265902 /nfs/dbraw/zinc/26/59/02/517265902.db2.gz YDTWNZJPDSVSPW-GOSISDBHSA-N 1 0 357.410 2.701 20 5 FFBDRO CCc1nn(C)c(N2CCN(C/C=C\c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000537658728 517283656 /nfs/dbraw/zinc/28/36/56/517283656.db2.gz LMEPCTKCRICHKM-YFHOEESVSA-N 1 0 355.442 2.726 20 5 FFBDRO Cc1c(CC(=O)Nc2cccc(C[N@@H+]3CC[C@H](O)C3)c2)cccc1[N+](=O)[O-] ZINC000552518253 517292797 /nfs/dbraw/zinc/29/27/97/517292797.db2.gz XRFYAHLLARCDMM-SFHVURJKSA-N 1 0 369.421 2.651 20 5 FFBDRO C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000541924621 517294373 /nfs/dbraw/zinc/29/43/73/517294373.db2.gz HYRXRJHSJBMNJW-GJZGRUSLSA-N 1 0 369.425 2.538 20 5 FFBDRO COc1cccc(N2C[C@H]([NH2+]Cc3ccc(OC)c([N+](=O)[O-])c3)CC2=O)c1 ZINC000520216524 517303975 /nfs/dbraw/zinc/30/39/75/517303975.db2.gz OKTFFXLJCYMSDB-CQSZACIVSA-N 1 0 371.393 2.507 20 5 FFBDRO C[N@H+](CCC(=O)Nc1ccc2c(c1)OCO2)CCc1cccc([N+](=O)[O-])c1 ZINC000548934234 517313278 /nfs/dbraw/zinc/31/32/78/517313278.db2.gz XHEIQNNWTXGDES-UHFFFAOYSA-N 1 0 371.393 2.827 20 5 FFBDRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000556260659 517343053 /nfs/dbraw/zinc/34/30/53/517343053.db2.gz GEIDBUATLUSTEG-LLVKDONJSA-N 1 0 366.215 2.697 20 5 FFBDRO C[C@H](C(=O)N(CC[NH+](C)C)Cc1ccccn1)c1cccc([N+](=O)[O-])c1 ZINC000520472968 517406422 /nfs/dbraw/zinc/40/64/22/517406422.db2.gz IMQMVGCBFMLLCT-HNNXBMFYSA-N 1 0 356.426 2.684 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)cc1C ZINC000552883158 517427532 /nfs/dbraw/zinc/42/75/32/517427532.db2.gz RBMOIROKOFJXGV-GJZGRUSLSA-N 1 0 369.487 2.753 20 5 FFBDRO C[C@@H](Cc1ccc(Cl)cc1Cl)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000515637128 517430304 /nfs/dbraw/zinc/43/03/04/517430304.db2.gz DHBBGDPGECYNPX-HZMBPMFUSA-N 1 0 373.240 2.680 20 5 FFBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H](O)COCc1ccccc1F ZINC000549173478 517438790 /nfs/dbraw/zinc/43/87/90/517438790.db2.gz XGYYYDFMVVDQJU-SFHVURJKSA-N 1 0 362.401 2.786 20 5 FFBDRO CCC[N@@H+]1CCC[C@H]1CNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000515686956 517447739 /nfs/dbraw/zinc/44/77/39/517447739.db2.gz VFZOOICOXXWIEU-HNNXBMFYSA-N 1 0 371.441 2.846 20 5 FFBDRO CC[N@@H+]1CCCC[C@@H]1CNc1ccc([N+](=O)[O-])c(N2CCOCC2)c1F ZINC000515915051 517511396 /nfs/dbraw/zinc/51/13/96/517511396.db2.gz NTGLBXPOVQYNGM-CQSZACIVSA-N 1 0 366.437 2.857 20 5 FFBDRO CCOc1cc(C[NH2+][C@@H]2CCC[C@H]3CN(C(C)=O)C[C@H]32)ccc1[N+](=O)[O-] ZINC000516111697 517571823 /nfs/dbraw/zinc/57/18/23/517571823.db2.gz BEKFQEQYCCWEGV-GVDBMIGSSA-N 1 0 361.442 2.730 20 5 FFBDRO [NH3+][C@@H]1CCCCCC[C@H]1C(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[nH][nH]1 ZINC000563062991 517625244 /nfs/dbraw/zinc/62/52/44/517625244.db2.gz KNCSWTLTHAIYMJ-HUUCEWRRSA-N 1 0 357.414 2.643 20 5 FFBDRO CCOc1ccc(C(=O)Nc2ccc(Cn3ccnc3)cn2)cc1[N+](=O)[O-] ZINC000553296051 517629933 /nfs/dbraw/zinc/62/99/33/517629933.db2.gz GNIIANUHYSLIQH-UHFFFAOYSA-N 1 0 367.365 2.886 20 5 FFBDRO CC(C)([NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1cccs1 ZINC000542573269 517633679 /nfs/dbraw/zinc/63/36/79/517633679.db2.gz GGHYLVWJVIYQMA-UHFFFAOYSA-N 1 0 363.395 2.848 20 5 FFBDRO CC(C)c1csc(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)n1 ZINC000521228075 517659156 /nfs/dbraw/zinc/65/91/56/517659156.db2.gz JDAAMRJNCQBVPB-CYBMUJFWSA-N 1 0 351.428 2.704 20 5 FFBDRO CCC(CC)[C@@H](CNS(=O)(=O)c1c(C)cccc1[N+](=O)[O-])[NH+](C)C ZINC000527385327 517670411 /nfs/dbraw/zinc/67/04/11/517670411.db2.gz GXSQWPLTPDBONG-OAHLLOKOSA-N 1 0 357.476 2.548 20 5 FFBDRO C[C@@H]1CCC[N@H+](CCNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000546578801 517736760 /nfs/dbraw/zinc/73/67/60/517736760.db2.gz VIQPFVYITUXWNJ-CYBMUJFWSA-N 1 0 351.422 2.860 20 5 FFBDRO CC[NH+]1CCC(CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000516560369 517743451 /nfs/dbraw/zinc/74/34/51/517743451.db2.gz DSDYEDWZHVDXQU-UHFFFAOYSA-N 1 0 370.247 2.819 20 5 FFBDRO C[C@H]([NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])C1(S(C)(=O)=O)CC1 ZINC000556925310 517750914 /nfs/dbraw/zinc/75/09/14/517750914.db2.gz PKOJSYBXHAWJEU-LZWOXQAQSA-N 1 0 366.483 2.861 20 5 FFBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000546801184 517864369 /nfs/dbraw/zinc/86/43/69/517864369.db2.gz BYUXXTADPYHLQU-ZNMIVQPWSA-N 1 0 367.471 2.621 20 5 FFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]Cc1cccc(N2CCOCC2)n1 ZINC000521899515 517893376 /nfs/dbraw/zinc/89/33/76/517893376.db2.gz ZJTYKTSMSOWPPT-KRWDZBQOSA-N 1 0 354.410 2.604 20 5 FFBDRO C[NH+](C)CCN1CCC(Nc2ccc([N+](=O)[O-])cc2OC(F)F)CC1 ZINC000546899233 517912388 /nfs/dbraw/zinc/91/23/88/517912388.db2.gz LNOLTWQULGVQRG-UHFFFAOYSA-N 1 0 358.389 2.634 20 5 FFBDRO C[C@H]([C@@H]1Cc2ccccc2O1)[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000543136554 517926842 /nfs/dbraw/zinc/92/68/42/517926842.db2.gz HNVZZXQKYIOJIL-IIMJZQEZSA-N 1 0 372.421 2.659 20 5 FFBDRO C[NH+](C)CCOc1ccc(-c2noc(-c3ccc([N+](=O)[O-])cn3)n2)cc1 ZINC000546996210 517951997 /nfs/dbraw/zinc/95/19/97/517951997.db2.gz BLCPOTPRHLUMFZ-UHFFFAOYSA-N 1 0 355.354 2.647 20 5 FFBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000522027873 517957970 /nfs/dbraw/zinc/95/79/70/517957970.db2.gz JNUPXUKFKPDORD-KRWDZBQOSA-N 1 0 372.473 2.520 20 5 FFBDRO CCOc1cc(NC(=O)NC[C@@H]2CCC[N@@H+]2C)c([N+](=O)[O-])cc1OCC ZINC000517115011 518031139 /nfs/dbraw/zinc/03/11/39/518031139.db2.gz ILDUOZCSBURRSB-LBPRGKRZSA-N 1 0 366.418 2.608 20 5 FFBDRO COC(=O)c1cc(C)nc(NCCCC[N@@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000557492706 518035424 /nfs/dbraw/zinc/03/54/24/518035424.db2.gz SHLROMKAOSLWDY-CQSZACIVSA-N 1 0 364.446 2.573 20 5 FFBDRO COc1ccc([N+](=O)[O-])c(NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)c1 ZINC000534797003 518036170 /nfs/dbraw/zinc/03/61/70/518036170.db2.gz IWCBICILMYULKM-JKSUJKDBSA-N 1 0 357.410 2.651 20 5 FFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000522270909 518058875 /nfs/dbraw/zinc/05/88/75/518058875.db2.gz PDNMPPPWPSZHNH-UHFFFAOYSA-N 1 0 368.437 2.903 20 5 FFBDRO COc1ccc(NC(=O)C[NH2+][C@@H](c2cccnc2)C2CC2)c([N+](=O)[O-])c1 ZINC000543449921 518098177 /nfs/dbraw/zinc/09/81/77/518098177.db2.gz WDWIFFPYKADBNR-GOSISDBHSA-N 1 0 356.382 2.678 20 5 FFBDRO COc1ccc(-c2ccc(C[NH2+]C[C@]3(O)CCSC3)o2)c([N+](=O)[O-])c1 ZINC000531108137 518140473 /nfs/dbraw/zinc/14/04/73/518140473.db2.gz BZRUHEJFSHHGDD-QGZVFWFLSA-N 1 0 364.423 2.821 20 5 FFBDRO COc1cccc([C@H]2[C@@H](Nc3c([N+](=O)[O-])ncn3C)CC[N@@H+]2C2CC2)c1 ZINC000539773762 518158402 /nfs/dbraw/zinc/15/84/02/518158402.db2.gz FQQHDPKXLWZVBG-HOTGVXAUSA-N 1 0 357.414 2.727 20 5 FFBDRO C[NH+](C)C1(CNC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)CCCCC1 ZINC000535271681 518172210 /nfs/dbraw/zinc/17/22/10/518172210.db2.gz SEOBOMZJXOAENF-UHFFFAOYSA-N 1 0 360.458 2.927 20 5 FFBDRO CS(=O)(=O)c1ccc(N(CC[NH3+])CC2CCCCCC2)c([N+](=O)[O-])c1 ZINC000566882579 518244544 /nfs/dbraw/zinc/24/45/44/518244544.db2.gz RMVOBRJOQRSNEO-UHFFFAOYSA-N 1 0 369.487 2.734 20 5 FFBDRO CCn1c(C)nc([N+](=O)[O-])c1NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000564047460 518282794 /nfs/dbraw/zinc/28/27/94/518282794.db2.gz CZFXDYNYUFETJE-UHFFFAOYSA-N 1 0 365.478 2.814 20 5 FFBDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2c[nH]nc2[N+](=O)[O-])cc1 ZINC000572627298 518283053 /nfs/dbraw/zinc/28/30/53/518283053.db2.gz DTLCFDLJOKQYHO-ZDUSSCGKSA-N 1 0 357.414 2.622 20 5 FFBDRO C[C@@]1(NC(=O)CNc2ccccc2[N+](=O)[O-])CC[N@H+](Cc2ccccc2)C1 ZINC000581436305 518284675 /nfs/dbraw/zinc/28/46/75/518284675.db2.gz YGGDNNYVJSARLX-HXUWFJFHSA-N 1 0 368.437 2.788 20 5 FFBDRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)c3cc([N+](=O)[O-])c[nH]3)C2)s1 ZINC000584372674 518307691 /nfs/dbraw/zinc/30/76/91/518307691.db2.gz GIEQXMFBDUEKGH-CYBMUJFWSA-N 1 0 362.455 2.887 20 5 FFBDRO Cc1nn(C)c(N2CCN(c3cc[nH+]c4ccccc43)CC2)c1[N+](=O)[O-] ZINC000575873014 518321471 /nfs/dbraw/zinc/32/14/71/518321471.db2.gz FLLXRMHVJAVVLS-UHFFFAOYSA-N 1 0 352.398 2.512 20 5 FFBDRO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)C12CCC[NH+]1CCC2 ZINC000581624138 518377102 /nfs/dbraw/zinc/37/71/02/518377102.db2.gz UZYURDZVPAJVEG-UHFFFAOYSA-N 1 0 354.204 2.924 20 5 FFBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@@H](C)C1 ZINC000584547546 518393818 /nfs/dbraw/zinc/39/38/18/518393818.db2.gz HGLQJOMBIQMINR-JKDFXYPNSA-N 1 0 367.396 2.604 20 5 FFBDRO CC[C@H]1CN(C)CCN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000572872379 518402023 /nfs/dbraw/zinc/40/20/23/518402023.db2.gz WCEGNYPLHFVHCG-JTQLQIEISA-N 1 0 356.220 2.524 20 5 FFBDRO CCC(CC)Nc1cc[nH+]cc1NC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000564348887 518411486 /nfs/dbraw/zinc/41/14/86/518411486.db2.gz NWCFVPYBXLTWMG-UHFFFAOYSA-N 1 0 360.418 2.546 20 5 FFBDRO Cc1cc(NC[C@@H](O)COc2ccccc2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000579155010 518546063 /nfs/dbraw/zinc/54/60/63/518546063.db2.gz ZXVUCJIGOLPENF-OAHLLOKOSA-N 1 0 353.378 2.725 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CCc2c[nH]c3ccccc23)c1 ZINC000576363780 518556833 /nfs/dbraw/zinc/55/68/33/518556833.db2.gz IPMOLVRMWSJNEC-MRXNPFEDSA-N 1 0 355.394 2.648 20 5 FFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1CCC(CC(F)(F)F)CC1 ZINC000576366770 518558687 /nfs/dbraw/zinc/55/86/87/518558687.db2.gz FTRHGJGGSNBGPV-CYBMUJFWSA-N 1 0 362.348 2.999 20 5 FFBDRO C[NH+]1CCC(CCO)(NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000576412875 518581462 /nfs/dbraw/zinc/58/14/62/518581462.db2.gz SYDQMWJKLKCQOQ-UHFFFAOYSA-N 1 0 359.426 2.791 20 5 FFBDRO O=[N+]([O-])c1cccc(Cl)c1C[NH2+][C@@H]1CCCC[C@H]1N1CCOCC1 ZINC000573286425 518592131 /nfs/dbraw/zinc/59/21/31/518592131.db2.gz BOLLBFZRRDUEPC-NVXWUHKLSA-N 1 0 353.850 2.981 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)[C@@H]1C[NH+]2CCC1CC2 ZINC000579271001 518602072 /nfs/dbraw/zinc/60/20/72/518602072.db2.gz CCGYMBSYKGNQJN-XHDPSFHLSA-N 1 0 367.833 2.568 20 5 FFBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])C[C@H]21 ZINC000567668007 518641126 /nfs/dbraw/zinc/64/11/26/518641126.db2.gz NVHJWRXPGOYTQA-CYZMBNFOSA-N 1 0 369.874 2.926 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CCc2cc(F)c(F)c(F)c2)c1 ZINC000564870973 518666686 /nfs/dbraw/zinc/66/66/86/518666686.db2.gz BIAPFOSYAYHZPD-CYBMUJFWSA-N 1 0 370.327 2.584 20 5 FFBDRO CCc1ccc(S(=O)(=O)N(C)[C@H]2CC[N@@H+](CC)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000567771052 518702224 /nfs/dbraw/zinc/70/22/24/518702224.db2.gz OCRJMEHEABPQPG-HIFRSBDPSA-N 1 0 369.487 2.651 20 5 FFBDRO C[C@H]1CCCC[N@@H+]1CCC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000573752786 518818301 /nfs/dbraw/zinc/81/83/01/518818301.db2.gz ODEYWGPYLNZTRX-AWEZNQCLSA-N 1 0 358.442 2.999 20 5 FFBDRO O=C(c1cc(C(F)(F)F)ccc1[N+](=O)[O-])N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000582586590 518823008 /nfs/dbraw/zinc/82/30/08/518823008.db2.gz SXGNBAWJIVKZRV-GFCCVEGCSA-N 1 0 357.332 2.924 20 5 FFBDRO CCCc1n[nH]c(C(=O)NC[C@@H]([NH2+][C@@H](C)CC)c2ccco2)c1[N+](=O)[O-] ZINC000588766972 518825087 /nfs/dbraw/zinc/82/50/87/518825087.db2.gz RFPAZYPMKWCXKR-WCQYABFASA-N 1 0 363.418 2.723 20 5 FFBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000573805196 518845722 /nfs/dbraw/zinc/84/57/22/518845722.db2.gz ZTVJLZPWWYWGRV-UWVGGRQHSA-N 1 0 362.352 2.658 20 5 FFBDRO C[C@@H](O)C[C@@H]1CCCC[N@@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000573889414 518882678 /nfs/dbraw/zinc/88/26/78/518882678.db2.gz NKFMSPYWPOVYMF-KGLIPLIRSA-N 1 0 363.414 2.518 20 5 FFBDRO C[NH+](C)CCOc1cnccc1CNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000565296682 518885032 /nfs/dbraw/zinc/88/50/32/518885032.db2.gz DJNJSTZTYLJRHI-UHFFFAOYSA-N 1 0 351.794 2.591 20 5 FFBDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3ccc(Cl)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000588978433 518887146 /nfs/dbraw/zinc/88/71/46/518887146.db2.gz GNYLDTUHJDOUSI-IMJJTQAJSA-N 1 0 351.834 2.985 20 5 FFBDRO CN1CCC[N@H+](CCCN[C@@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)CC1 ZINC000565309949 518893446 /nfs/dbraw/zinc/89/34/46/518893446.db2.gz PYTBIBVESZEQTC-INIZCTEOSA-N 1 0 374.407 2.815 20 5 FFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]Cc1cccnc1N1CCOCC1 ZINC000571061198 518908850 /nfs/dbraw/zinc/90/88/50/518908850.db2.gz UEWWUQXELRHKOJ-QGZVFWFLSA-N 1 0 354.410 2.604 20 5 FFBDRO COc1cc(F)c(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000577115130 518920592 /nfs/dbraw/zinc/92/05/92/518920592.db2.gz PBMBSGFZNNDPIY-UHFFFAOYSA-N 1 0 350.346 2.920 20 5 FFBDRO CC(C)[N@H+](C)C[C@@H](C)Nc1ccc([N+](=O)[O-])c(N2CCOCC2)c1F ZINC000565371742 518923660 /nfs/dbraw/zinc/92/36/60/518923660.db2.gz IUOMBCUYMYXKAU-CYBMUJFWSA-N 1 0 354.426 2.711 20 5 FFBDRO CC(C)(O)C[NH+]1CCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000571183029 518968380 /nfs/dbraw/zinc/96/83/80/518968380.db2.gz FXQKNCQPSPUXRJ-UHFFFAOYSA-N 1 0 361.364 2.502 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@H](Cc3ccncc3)C2)c1 ZINC000589510573 519022441 /nfs/dbraw/zinc/02/24/41/519022441.db2.gz LAJLCVKIIFUIFP-OAHLLOKOSA-N 1 0 355.394 2.841 20 5 FFBDRO CCCC[N@H+](C)C[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000574335646 519106879 /nfs/dbraw/zinc/10/68/79/519106879.db2.gz ONJRBUBUAYKKEE-NSHDSACASA-N 1 0 363.867 2.647 20 5 FFBDRO CCC[N@H+](CC)C[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000565742214 519108066 /nfs/dbraw/zinc/10/80/66/519108066.db2.gz APGPHQDZUHGLEZ-LLVKDONJSA-N 1 0 363.867 2.647 20 5 FFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@@H](O)CCc2ccccc2)n1 ZINC000565815045 519145355 /nfs/dbraw/zinc/14/53/55/519145355.db2.gz IBCVXMYVAWKBCS-OKZBNKHCSA-N 1 0 358.442 2.858 20 5 FFBDRO CC[C@@H]1CN(C)CCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000577597249 519158881 /nfs/dbraw/zinc/15/88/81/519158881.db2.gz WFFCVRQBHNPYMQ-GFCCVEGCSA-N 1 0 356.220 2.524 20 5 FFBDRO CC[N@H+]1C[C@@H](C)N(C(=O)c2ccc(Br)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000568796166 519218621 /nfs/dbraw/zinc/21/86/21/519218621.db2.gz OSIJGCOYXDIOQQ-PHIMTYICSA-N 1 0 370.247 2.912 20 5 FFBDRO COc1ccc(NC(=O)[C@@H]([NH3+])Cc2c[nH]c3ccccc23)cc1[N+](=O)[O-] ZINC000568835829 519236333 /nfs/dbraw/zinc/23/63/33/519236333.db2.gz HHDTUPFJLYMDQF-AWEZNQCLSA-N 1 0 354.366 2.593 20 5 FFBDRO Cc1ccc(C)c(OC[C@H](O)C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000574632284 519252603 /nfs/dbraw/zinc/25/26/03/519252603.db2.gz RDFPRMLUXYYAKJ-QGZVFWFLSA-N 1 0 360.410 2.620 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](O)COc1cc(C)cc(C)c1 ZINC000566063306 519274187 /nfs/dbraw/zinc/27/41/87/519274187.db2.gz OEKFTMCQUCTTOO-KRWDZBQOSA-N 1 0 360.410 2.750 20 5 FFBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000583490543 519275516 /nfs/dbraw/zinc/27/55/16/519275516.db2.gz KZQLCXXFMSXGOX-OLZOCXBDSA-N 1 0 373.862 2.543 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](c3ccccn3)C2)c1 ZINC000590602693 519285263 /nfs/dbraw/zinc/28/52/63/519285263.db2.gz VTQMLTRXAQRLKZ-NVXWUHKLSA-N 1 0 357.410 2.609 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@H](C(C)C)[C@H](CO)C(C)C)c1 ZINC000590659159 519305509 /nfs/dbraw/zinc/30/55/09/519305509.db2.gz AOENUISLRUEEDW-NVXWUHKLSA-N 1 0 352.431 2.760 20 5 FFBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)cc2[N+](=O)[O-])C1 ZINC000590663629 519307250 /nfs/dbraw/zinc/30/72/50/519307250.db2.gz YMDUFNFTCBSXOS-UMHPPVOVSA-N 1 0 372.469 2.511 20 5 FFBDRO Cc1ccccc1OC[C@H](O)C[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000568977149 519312980 /nfs/dbraw/zinc/31/29/80/519312980.db2.gz PAOUNCNCEHNHIS-QGZVFWFLSA-N 1 0 369.421 2.957 20 5 FFBDRO CN1CCC([N@@H+]2CC[C@H](Nc3nccc4c3cccc4[N+](=O)[O-])C2)CC1 ZINC000590690072 519318457 /nfs/dbraw/zinc/31/84/57/519318457.db2.gz MXOXQRMBHCKCEE-AWEZNQCLSA-N 1 0 355.442 2.723 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H]2CCCN(c3ccccc3)C2)c1 ZINC000578006543 519367494 /nfs/dbraw/zinc/36/74/94/519367494.db2.gz IYKOCWNGOKHQEV-QFBILLFUSA-N 1 0 371.437 2.593 20 5 FFBDRO CCOc1cc(C[NH+]2CCC([C@@H]3NC(=O)C3(C)C)CC2)ccc1[N+](=O)[O-] ZINC000574888238 519385423 /nfs/dbraw/zinc/38/54/23/519385423.db2.gz RCKJJFMQCFGFSV-KRWDZBQOSA-N 1 0 361.442 2.730 20 5 FFBDRO COc1ccc2c(c1)CCC[C@H]2[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000572022894 519403427 /nfs/dbraw/zinc/40/34/27/519403427.db2.gz ACAVIRGYTQTKEJ-GOSISDBHSA-N 1 0 357.410 2.775 20 5 FFBDRO C[C@@H](Nc1ccc(C(=O)N2CC[C@H]([NH3+])[C@@H]2C)cc1[N+](=O)[O-])c1ccccn1 ZINC000572120266 519454564 /nfs/dbraw/zinc/45/45/64/519454564.db2.gz NYUMPVFDXAWJEI-IPYPFGDCSA-N 1 0 369.425 2.725 20 5 FFBDRO [NH3+]CC1(CC(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[nH][nH]2)CCCCC1 ZINC000572152578 519470575 /nfs/dbraw/zinc/47/05/75/519470575.db2.gz XFNVIIYHJTYJSF-UHFFFAOYSA-N 1 0 357.414 2.645 20 5 FFBDRO Cc1c(Br)c(=O)n(CC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000566498007 519521849 /nfs/dbraw/zinc/52/18/49/519521849.db2.gz RSKKTOADKZRVJB-GHMZBOCLSA-N 1 0 372.263 2.805 20 5 FFBDRO CCOc1ccc([N+](=O)[O-])c(-c2nc(CC3=[NH+][C@H]4CCCC[C@@H]4N3)no2)c1 ZINC000569389964 519525811 /nfs/dbraw/zinc/52/58/11/519525811.db2.gz LOGRGKCMQYJLDW-KBPBESRZSA-N 1 0 371.397 2.899 20 5 FFBDRO C[C@@H]1C[NH+](CCC2CCN(c3ncc([N+](=O)[O-])cc3F)CC2)C[C@@H](C)O1 ZINC000591149374 519529647 /nfs/dbraw/zinc/52/96/47/519529647.db2.gz UWMFMMRCFVBGTJ-ZIAGYGMSSA-N 1 0 366.437 2.845 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000591270344 519566890 /nfs/dbraw/zinc/56/68/90/519566890.db2.gz XNUXIZPRWMKEEV-KBPBESRZSA-N 1 0 362.430 2.847 20 5 FFBDRO Cc1c(NC(=O)N[C@H]2CCC[NH2+]CC2)cc(Br)cc1[N+](=O)[O-] ZINC000591304507 519580845 /nfs/dbraw/zinc/58/08/45/519580845.db2.gz HSZAHRNXZJHXFG-NSHDSACASA-N 1 0 371.235 2.929 20 5 FFBDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000566638468 519590057 /nfs/dbraw/zinc/59/00/57/519590057.db2.gz JJGYDRCRBYWJMJ-CYBMUJFWSA-N 1 0 363.414 2.708 20 5 FFBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)c1nc([C@@H]([NH3+])CC(C)C)no1 ZINC000584112914 519597662 /nfs/dbraw/zinc/59/76/62/519597662.db2.gz QKORWJAQZNKOPU-QWRGUYRKSA-N 1 0 351.411 2.629 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(SC)CC1 ZINC000602922321 519974801 /nfs/dbraw/zinc/97/48/01/519974801.db2.gz HKDGTAFDSNHQHO-UHFFFAOYSA-N 1 0 353.444 2.759 20 5 FFBDRO CN(C(=O)CN1CCC(C)([NH+]2CCCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000602948605 519988949 /nfs/dbraw/zinc/98/89/49/519988949.db2.gz BIDHZEFPZBGILK-UHFFFAOYSA-N 1 0 360.458 2.508 20 5 FFBDRO C[C@@H]1CCCN(c2ccc(C(=O)NC[C@H]3CCCC[NH2+]3)cc2[N+](=O)[O-])C1 ZINC000591677933 519994483 /nfs/dbraw/zinc/99/44/83/519994483.db2.gz ZJUZGAFWIMBLBJ-GDBMZVCRSA-N 1 0 360.458 2.703 20 5 FFBDRO O=C(NCCC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1cccc(O)c1 ZINC000594493290 520001536 /nfs/dbraw/zinc/00/15/36/520001536.db2.gz KXGMUHSFOQNCMR-QGZVFWFLSA-N 1 0 355.394 2.697 20 5 FFBDRO C[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1nc2ccccc2[nH]1 ZINC000591723969 520012655 /nfs/dbraw/zinc/01/26/55/520012655.db2.gz XFIJSXBGIOMINY-GXTWGEPZSA-N 1 0 356.382 2.562 20 5 FFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@@H]2CCOc3ccc(F)cc32)c1 ZINC000591735571 520015684 /nfs/dbraw/zinc/01/56/84/520015684.db2.gz MEFVRUHVBXUEOF-WMLDXEAASA-N 1 0 362.357 2.587 20 5 FFBDRO O=C(CC[NH2+]C[C@@H]1OCCc2ccccc21)Nc1ccccc1[N+](=O)[O-] ZINC000591739539 520017463 /nfs/dbraw/zinc/01/74/63/520017463.db2.gz CLZFRNZNUOCMEC-SFHVURJKSA-N 1 0 355.394 2.827 20 5 FFBDRO Cc1c(CC(=O)N2CCCN(c3cc[nH+]cc3)CC2)cccc1[N+](=O)[O-] ZINC000603082572 520068333 /nfs/dbraw/zinc/06/83/33/520068333.db2.gz GGSGCYSVNITTKK-UHFFFAOYSA-N 1 0 354.410 2.580 20 5 FFBDRO C[NH+]1CCC2(CC1)CN(c1ccc([N+](=O)[O-])c(C(F)(F)F)c1)CCO2 ZINC000591990837 520123162 /nfs/dbraw/zinc/12/31/62/520123162.db2.gz DXQWVPVISZCDKM-UHFFFAOYSA-N 1 0 359.348 2.915 20 5 FFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)n1cc(C[C@H]([NH3+])Cc2ccccc2)nn1 ZINC000603186871 520145895 /nfs/dbraw/zinc/14/58/95/520145895.db2.gz YGJAINFPJXQDNJ-WMLDXEAASA-N 1 0 351.410 2.908 20 5 FFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000608905310 520159148 /nfs/dbraw/zinc/15/91/48/520159148.db2.gz BMFJPQXSVCICEV-OCCSQVGLSA-N 1 0 367.833 2.712 20 5 FFBDRO CCc1ccc(S(=O)(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000594793933 520161107 /nfs/dbraw/zinc/16/11/07/520161107.db2.gz WPNGTOUOTVVYII-ZDUSSCGKSA-N 1 0 369.487 2.556 20 5 FFBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(Cn2cc(C3CC[NH2+]CC3)nn2)c1 ZINC000603231014 520171582 /nfs/dbraw/zinc/17/15/82/520171582.db2.gz JACAHLZTILEMGJ-UHFFFAOYSA-N 1 0 355.320 2.720 20 5 FFBDRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)C2 ZINC000597709983 520189275 /nfs/dbraw/zinc/18/92/75/520189275.db2.gz FQCLIXFMUBGSCH-KRWDZBQOSA-N 1 0 369.368 2.754 20 5 FFBDRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1c[nH]c3ccc([N+](=O)[O-])cc13)C2 ZINC000597711584 520191948 /nfs/dbraw/zinc/19/19/48/520191948.db2.gz VHFCUAKZHPNQIC-IBGZPJMESA-N 1 0 356.426 2.563 20 5 FFBDRO C[N@@H+]1CCCC[C@H](CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000600312374 520199349 /nfs/dbraw/zinc/19/93/49/520199349.db2.gz FXPQLCMTSOWNKD-LLVKDONJSA-N 1 0 370.247 2.819 20 5 FFBDRO COC(=O)CCC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592131322 520207396 /nfs/dbraw/zinc/20/73/96/520207396.db2.gz XPRLLRDBHQKMON-WKILWMFISA-N 1 0 350.415 2.654 20 5 FFBDRO Cn1nccc1CC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592133497 520210482 /nfs/dbraw/zinc/21/04/82/520210482.db2.gz WKCTWHGWOPJMQE-IYARVYRRSA-N 1 0 358.442 2.677 20 5 FFBDRO COc1ccccc1C1([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000592142810 520219260 /nfs/dbraw/zinc/21/92/60/520219260.db2.gz GSLQQTJBIYQIGY-HNNXBMFYSA-N 1 0 358.394 2.622 20 5 FFBDRO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CS1(=O)=O ZINC000594973448 520236127 /nfs/dbraw/zinc/23/61/27/520236127.db2.gz BRVGLFWJSWILOI-TZMCWYRMSA-N 1 0 364.423 2.910 20 5 FFBDRO CC1(C)CCC(O)(C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000594992809 520246126 /nfs/dbraw/zinc/24/61/26/520246126.db2.gz YHYHXUXHIDWAMS-UHFFFAOYSA-N 1 0 350.415 2.787 20 5 FFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC000594990975 520246158 /nfs/dbraw/zinc/24/61/58/520246158.db2.gz WGDBFJNGLSKGJG-QXDJROSASA-N 1 0 357.454 2.841 20 5 FFBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+][C@@H]1[C@H]3Cc4cc(F)ccc4[C@@H]13)OCCO2 ZINC000594995527 520247459 /nfs/dbraw/zinc/24/74/59/520247459.db2.gz NHSMFLLAHBZWEK-GDIGMMSISA-N 1 0 356.353 2.933 20 5 FFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000595019416 520258499 /nfs/dbraw/zinc/25/84/99/520258499.db2.gz MYYFZKRIMLMQRS-SCRDCRAPSA-N 1 0 356.444 2.610 20 5 FFBDRO C[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(C)(C)C(F)F ZINC000595030776 520261449 /nfs/dbraw/zinc/26/14/49/520261449.db2.gz ASXRGCSWAWWBQV-JTQLQIEISA-N 1 0 350.387 2.638 20 5 FFBDRO Cn1cc(CN2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)c([N+](=O)[O-])n1 ZINC000603430728 520261683 /nfs/dbraw/zinc/26/16/83/520261683.db2.gz UNWHSWCAZYANGC-WMZOPIPTSA-N 1 0 357.458 2.500 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)c1C ZINC000609353272 520293783 /nfs/dbraw/zinc/29/37/83/520293783.db2.gz VORHURLLYAAZBK-KBPBESRZSA-N 1 0 369.487 2.753 20 5 FFBDRO COc1cc(C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc([N+](=O)[O-])c1C ZINC000592255996 520294648 /nfs/dbraw/zinc/29/46/48/520294648.db2.gz VRNYEQHILDRVBC-HUUCEWRRSA-N 1 0 361.442 2.764 20 5 FFBDRO CC[N@@H+]1CC[C@@H](CNC(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC000609357608 520295172 /nfs/dbraw/zinc/29/51/72/520295172.db2.gz OVQHRLLIASNIHG-CVEARBPZSA-N 1 0 374.485 2.903 20 5 FFBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@H](C)[C@H]2CCC[NH3+])cc1C ZINC000595118426 520302847 /nfs/dbraw/zinc/30/28/47/520302847.db2.gz PRTJOPNACYHKMJ-IUODEOHRSA-N 1 0 369.487 2.740 20 5 FFBDRO COc1cccc([C@@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)[NH+](C)C)c1 ZINC000609442065 520312912 /nfs/dbraw/zinc/31/29/12/520312912.db2.gz GBLJDWPZDLTNFX-QGZVFWFLSA-N 1 0 361.373 2.775 20 5 FFBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)c1C ZINC000603659051 520337498 /nfs/dbraw/zinc/33/74/98/520337498.db2.gz UGOKHXACJLLPPF-TZMCWYRMSA-N 1 0 369.487 2.610 20 5 FFBDRO CCN(C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CC[N@H+](C)C1 ZINC000597945623 520343701 /nfs/dbraw/zinc/34/37/01/520343701.db2.gz KDNGEUIOBCSDBU-GFCCVEGCSA-N 1 0 357.863 2.893 20 5 FFBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000595219891 520355592 /nfs/dbraw/zinc/35/55/92/520355592.db2.gz BCIVKHLJRACQBY-NVXWUHKLSA-N 1 0 355.394 2.560 20 5 FFBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000595235167 520364765 /nfs/dbraw/zinc/36/47/65/520364765.db2.gz ROQPLASEQMCGLO-SFHVURJKSA-N 1 0 370.409 2.620 20 5 FFBDRO C[N@H+](Cc1ccc2nc(NC(=O)c3cc([N+](=O)[O-])n[nH]3)sc2c1)C1CC1 ZINC000598027395 520384691 /nfs/dbraw/zinc/38/46/91/520384691.db2.gz HXYGDVNGSQEMOE-UHFFFAOYSA-N 1 0 372.410 2.774 20 5 FFBDRO COc1cc(CN2CC[NH2+][C@@H](C(C)C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000592432809 520387610 /nfs/dbraw/zinc/38/76/10/520387610.db2.gz UOSRXZZMWSNJSA-GFCCVEGCSA-N 1 0 359.373 2.635 20 5 FFBDRO CCN(C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CC[N@H+](CC)C1 ZINC000598040315 520389771 /nfs/dbraw/zinc/38/97/71/520389771.db2.gz OUUDFTOSPCUJAC-CQSZACIVSA-N 1 0 369.849 2.960 20 5 FFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000613225030 520397376 /nfs/dbraw/zinc/39/73/76/520397376.db2.gz QOBYMBJFXUKEKU-QGZVFWFLSA-N 1 0 368.437 2.907 20 5 FFBDRO COc1ccc(CNC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)cc1[N+](=O)[O-] ZINC000609710082 520412277 /nfs/dbraw/zinc/41/22/77/520412277.db2.gz NVIUMVXYLBTXIW-INIZCTEOSA-N 1 0 366.462 2.769 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)cc1SC ZINC000592567957 520457693 /nfs/dbraw/zinc/45/76/93/520457693.db2.gz GRIGQGMWCZOAOY-NSHDSACASA-N 1 0 365.455 2.730 20 5 FFBDRO O=C(N[C@@H]1CC[NH2+]C12CCCC2)c1ccc([N+](=O)[O-])cc1Br ZINC000592570850 520458679 /nfs/dbraw/zinc/45/86/79/520458679.db2.gz SNFCGYCCRQKOQS-CYBMUJFWSA-N 1 0 368.231 2.762 20 5 FFBDRO CCOCCC[N@@H+]1CC[C@H](NCc2ccc(F)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000595439691 520472231 /nfs/dbraw/zinc/47/22/31/520472231.db2.gz KCMCNHWRIFMGTP-YOEHRIQHSA-N 1 0 353.438 2.961 20 5 FFBDRO Cn1cc([C@H]([NH2+]CCCOc2ccc([N+](=O)[O-])cc2)C2(CO)CCC2)cn1 ZINC000595498884 520510374 /nfs/dbraw/zinc/51/03/74/520510374.db2.gz KFJSEVVIJGIEHW-SFHVURJKSA-N 1 0 374.441 2.591 20 5 FFBDRO C[N@@H+]1CC[C@]2(C1)CCCN(Cc1nnc(-c3ccc([N+](=O)[O-])cc3)o1)C2 ZINC000595507979 520518854 /nfs/dbraw/zinc/51/88/54/520518854.db2.gz SNFIQDOUHLSTPP-SFHVURJKSA-N 1 0 357.414 2.563 20 5 FFBDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000598266506 520528904 /nfs/dbraw/zinc/52/89/04/520528904.db2.gz YWMSTENAZLUGCZ-OAHLLOKOSA-N 1 0 358.442 2.786 20 5 FFBDRO CN(C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000610104850 520539691 /nfs/dbraw/zinc/53/96/91/520539691.db2.gz YUNOXEBULLVPOX-GOSISDBHSA-N 1 0 360.458 2.796 20 5 FFBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)C[C@H]1C ZINC000610135390 520554341 /nfs/dbraw/zinc/55/43/41/520554341.db2.gz RADXFTVMNWARDZ-HIFRSBDPSA-N 1 0 369.487 2.705 20 5 FFBDRO C[C@H]1CCC[C@@](CNC(=O)CCOc2ccccc2[N+](=O)[O-])([NH+](C)C)C1 ZINC000604440014 520562796 /nfs/dbraw/zinc/56/27/96/520562796.db2.gz YGVKOMMBOWCAKH-HNAYVOBHSA-N 1 0 363.458 2.990 20 5 FFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000604446364 520564893 /nfs/dbraw/zinc/56/48/93/520564893.db2.gz ZAWOIBHAQGLHCH-YUTCNCBUSA-N 1 0 367.833 2.759 20 5 FFBDRO CCC[N@@H+]1CC[C@H](NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)C1 ZINC000598343923 520565622 /nfs/dbraw/zinc/56/56/22/520565622.db2.gz YNCBBYBQNKSDSL-LBPRGKRZSA-N 1 0 370.247 2.880 20 5 FFBDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000595585130 520569898 /nfs/dbraw/zinc/56/98/98/520569898.db2.gz LPJGAHTYVKANKA-CQSZACIVSA-N 1 0 368.865 2.963 20 5 FFBDRO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000604489597 520577530 /nfs/dbraw/zinc/57/75/30/520577530.db2.gz OZNSSNXTLAZZDX-CQSZACIVSA-N 1 0 367.833 2.575 20 5 FFBDRO Cc1cc(NC[C@@H]2CC[N@@H+](C3CC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000604508527 520582464 /nfs/dbraw/zinc/58/24/64/520582464.db2.gz HMKQSHPLOWIPJF-AWEZNQCLSA-N 1 0 353.426 2.678 20 5 FFBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000604535301 520593525 /nfs/dbraw/zinc/59/35/25/520593525.db2.gz VALISBMOVZYRIE-GOSISDBHSA-N 1 0 368.437 2.860 20 5 FFBDRO CCCN(C(=O)c1ccc([N+](=O)[O-])cc1Br)[C@H]1CC[N@H+](C)C1 ZINC000592829604 520606390 /nfs/dbraw/zinc/60/63/90/520606390.db2.gz RWBRGTZUILYFBM-LBPRGKRZSA-N 1 0 370.247 2.914 20 5 FFBDRO C[C@@H]1C[C@H]1N1C[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1=O ZINC000610272724 520615820 /nfs/dbraw/zinc/61/58/20/520615820.db2.gz GZAGEXXRGQWEMB-SUYBPPKGSA-N 1 0 355.394 2.954 20 5 FFBDRO COC(=O)C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000595668241 520635662 /nfs/dbraw/zinc/63/56/62/520635662.db2.gz KPPXDCLSSWUNLS-UHFFFAOYSA-N 1 0 363.414 2.731 20 5 FFBDRO CCOc1ccc(C[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000601148603 520660280 /nfs/dbraw/zinc/66/02/80/520660280.db2.gz FAICQRUMRSCMQX-IBGZPJMESA-N 1 0 360.410 2.999 20 5 FFBDRO C[N@H+](CC(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CCC1 ZINC000610392455 520663430 /nfs/dbraw/zinc/66/34/30/520663430.db2.gz PRJRCHUGMUWJIF-UHFFFAOYSA-N 1 0 374.363 2.626 20 5 FFBDRO COc1ccccc1C[C@](C)(CO)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000601153829 520663574 /nfs/dbraw/zinc/66/35/74/520663574.db2.gz UNXCLNQXPWUMSV-LJQANCHMSA-N 1 0 360.410 2.695 20 5 FFBDRO C[NH+](C)CCN(Cc1ccccc1)C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593014624 520683846 /nfs/dbraw/zinc/68/38/46/520683846.db2.gz ASTBRLZKSWHJSM-UHFFFAOYSA-N 1 0 359.401 2.867 20 5 FFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H]2CCN(C)[C@@H]2c2ccccc2)c1 ZINC000593031407 520694681 /nfs/dbraw/zinc/69/46/81/520694681.db2.gz VZWVNRARLRIRBC-IEBWSBKVSA-N 1 0 369.421 2.916 20 5 FFBDRO COc1ccc([C@H]2CCC[N@@H+]2CCn2cc([N+](=O)[O-])ccc2=O)cc1F ZINC000595754160 520699591 /nfs/dbraw/zinc/69/95/91/520699591.db2.gz VNQSEWIRIBXRDB-MRXNPFEDSA-N 1 0 361.373 2.741 20 5 FFBDRO O=C(NC[C@H]1CCC[N@H+](CC2CC2)C1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000598562526 520707979 /nfs/dbraw/zinc/70/79/79/520707979.db2.gz VVYUUDFFOQRPOY-CQSZACIVSA-N 1 0 356.426 2.928 20 5 FFBDRO COc1ccc(C[C@H]2CCCC[N@@H+]2CCn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000593085568 520735142 /nfs/dbraw/zinc/73/51/42/520735142.db2.gz ZPEVWOQCZWUDNE-QGZVFWFLSA-N 1 0 371.437 2.862 20 5 FFBDRO Cc1ccc(S(=O)(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)c(C)c1[N+](=O)[O-] ZINC000598613887 520743675 /nfs/dbraw/zinc/74/36/75/520743675.db2.gz ZIAWBVKWQWLJSW-HNNXBMFYSA-N 1 0 369.487 2.707 20 5 FFBDRO CC(C)[NH2+][C@@H]1CCCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000610573185 520744355 /nfs/dbraw/zinc/74/43/55/520744355.db2.gz QMEDSBLVPRGLNV-GFCCVEGCSA-N 1 0 370.247 2.960 20 5 FFBDRO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)c1cccnc1[N+](=O)[O-] ZINC000610573503 520745471 /nfs/dbraw/zinc/74/54/71/520745471.db2.gz MDMCTIJPWQDBGR-UHFFFAOYSA-N 1 0 361.490 2.622 20 5 FFBDRO COC(=O)c1ccnc(NCc2cc(C)nc(N3CCCC3)c2)c1[N+](=O)[O-] ZINC000598627678 520749810 /nfs/dbraw/zinc/74/98/10/520749810.db2.gz WRAKESMXRAIETO-UHFFFAOYSA-N 1 0 371.397 2.692 20 5 FFBDRO O=[N+]([O-])c1ccc(OCCC[NH2+][C@@H](CO)c2ccc(F)cc2F)cc1 ZINC000595868807 520779090 /nfs/dbraw/zinc/77/90/90/520779090.db2.gz ZVKZJXREGYLARQ-KRWDZBQOSA-N 1 0 352.337 2.965 20 5 FFBDRO O=[N+]([O-])c1ccc(-c2noc(CN3CCC([C@@H]4CCC[NH2+]C4)CC3)n2)cc1 ZINC000595900810 520807513 /nfs/dbraw/zinc/80/75/13/520807513.db2.gz MCZVVODISJJPDO-MRXNPFEDSA-N 1 0 371.441 2.856 20 5 FFBDRO [NH3+][C@H]1CCc2ccccc2N(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000595904223 520811487 /nfs/dbraw/zinc/81/14/87/520811487.db2.gz UVKLQOWZGMJGBC-HNNXBMFYSA-N 1 0 365.393 2.925 20 5 FFBDRO O=C(CC[N@H+]1C[C@]23COC[C@@]2(C1)CCCC3)Nc1ccc([N+](=O)[O-])cc1 ZINC000595910405 520814790 /nfs/dbraw/zinc/81/47/90/520814790.db2.gz PPVXZYQXZAUCPB-KDURUIRLSA-N 1 0 359.426 2.816 20 5 FFBDRO CC1(C)CC[NH2+][C@@H]1C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000595922777 520826453 /nfs/dbraw/zinc/82/64/53/520826453.db2.gz KMGMGGOFGGQYTL-CYBMUJFWSA-N 1 0 374.363 2.530 20 5 FFBDRO Cc1ccc([C@@H](C)NC(=O)c2cc(C3CC[NH2+]CC3)no2)cc1[N+](=O)[O-] ZINC000595929281 520830907 /nfs/dbraw/zinc/83/09/07/520830907.db2.gz IVGPXYLEDJJOFS-GFCCVEGCSA-N 1 0 358.398 2.849 20 5 FFBDRO [NH3+]C[C@H]1Cc2ccccc2N(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000601552062 520837000 /nfs/dbraw/zinc/83/70/00/520837000.db2.gz UFFABIRVLPHRPU-GFCCVEGCSA-N 1 0 359.813 2.955 20 5 FFBDRO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000601558072 520840061 /nfs/dbraw/zinc/84/00/61/520840061.db2.gz QTYLCIZQCREQKB-GWCFXTLKSA-N 1 0 368.231 2.571 20 5 FFBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H]3C[NH2+]CC[C@H]32)cc1SC ZINC000601557272 520840137 /nfs/dbraw/zinc/84/01/37/520840137.db2.gz NIEXLFQVMUVALA-WCQYABFASA-N 1 0 365.455 2.539 20 5 FFBDRO C[NH2+]C[C@@H](C)NC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000595983594 520844176 /nfs/dbraw/zinc/84/41/76/520844176.db2.gz PSQJKZSHFVUSCQ-CHWSQXEVSA-N 1 0 357.414 2.501 20 5 FFBDRO CC(C)[C@H](CNc1cc(N)c([N+](=O)[O-])c(CO)c1)[NH+]1CCCCCC1 ZINC000596071107 520893986 /nfs/dbraw/zinc/89/39/86/520893986.db2.gz WCQJTBNPOGVMBE-KRWDZBQOSA-N 1 0 350.463 2.982 20 5 FFBDRO CCC(CC)(C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1 ZINC000596070802 520894013 /nfs/dbraw/zinc/89/40/13/520894013.db2.gz SOXFDPDEKLJFOJ-QGZVFWFLSA-N 1 0 364.421 2.639 20 5 FFBDRO NC(=O)c1cc(N[C@H](C[NH+]2CCCC2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000596071750 520894137 /nfs/dbraw/zinc/89/41/37/520894137.db2.gz VYGOFFVTUWCMAI-QGZVFWFLSA-N 1 0 354.410 2.943 20 5 FFBDRO O=[N+]([O-])c1ccc2c(c1N1CC[C@@H](OCC[NH+]3CCCCC3)C1)CCN2 ZINC000618156486 520908322 /nfs/dbraw/zinc/90/83/22/520908322.db2.gz SCHWFZQXJCTMOJ-OAHLLOKOSA-N 1 0 360.458 2.644 20 5 FFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000598913540 520913519 /nfs/dbraw/zinc/91/35/19/520913519.db2.gz LFZBMQADFSKJRX-ZDUSSCGKSA-N 1 0 350.394 2.977 20 5 FFBDRO C[NH2+]C[C@@H](C)NCc1ccc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000596103186 520914085 /nfs/dbraw/zinc/91/40/85/520914085.db2.gz BYKXPZYVWRFYLJ-CQSZACIVSA-N 1 0 359.426 2.880 20 5 FFBDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596145625 520938696 /nfs/dbraw/zinc/93/86/96/520938696.db2.gz UWBJMEJNQVRMAP-MRXNPFEDSA-N 1 0 368.437 2.652 20 5 FFBDRO COC(=O)c1c(Cl)c(N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000596160221 520944725 /nfs/dbraw/zinc/94/47/25/520944725.db2.gz BEXFBBZZSRQGTP-SKDRFNHKSA-N 1 0 353.806 2.929 20 5 FFBDRO CC(C)[C@@H](CNc1ccnc2cc([N+](=O)[O-])ccc21)[NH+]1CCN(C)CC1 ZINC000593457270 521006099 /nfs/dbraw/zinc/00/60/99/521006099.db2.gz KGQHDAHGXKLEEO-LJQANCHMSA-N 1 0 357.458 2.827 20 5 FFBDRO C[C@H]1CN(c2ccc3cnccc3c2[N+](=O)[O-])CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000599064218 521008487 /nfs/dbraw/zinc/00/84/87/521008487.db2.gz LDCUISGQIHRWAT-YJBOKZPZSA-N 1 0 369.469 2.605 20 5 FFBDRO COC(=O)c1nn(Cc2ccc(C[NH+]3CCCCC3)cc2)cc1[N+](=O)[O-] ZINC000601917873 521023717 /nfs/dbraw/zinc/02/37/17/521023717.db2.gz MNDBSELYVFAFJR-UHFFFAOYSA-N 1 0 358.398 2.612 20 5 FFBDRO COc1ccccc1[C@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000611185151 521029798 /nfs/dbraw/zinc/02/97/98/521029798.db2.gz LZEMHSSFJQKBBZ-QGZVFWFLSA-N 1 0 357.410 2.992 20 5 FFBDRO O=C(Nc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccc([N+](=O)[O-])s1 ZINC000611197713 521033231 /nfs/dbraw/zinc/03/32/31/521033231.db2.gz ZSYOYLAPDNJPPJ-UHFFFAOYSA-N 1 0 361.423 2.865 20 5 FFBDRO CC1(C)C[NH2+]CC[C@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000601977761 521052660 /nfs/dbraw/zinc/05/26/60/521052660.db2.gz STRWWOVJBOUSSM-HNNXBMFYSA-N 1 0 360.458 2.703 20 5 FFBDRO O=[N+]([O-])c1cc2c(cc1CN1CCC[C@H]([NH+]3CCCC3)CC1)OCCO2 ZINC000611273146 521073778 /nfs/dbraw/zinc/07/37/78/521073778.db2.gz HZPBSDRFEZACRC-INIZCTEOSA-N 1 0 361.442 2.816 20 5 FFBDRO O=[N+]([O-])c1ccc(NC2(C[NH+]3CCN(c4ccccc4)CC3)CC2)cn1 ZINC000596514660 521108668 /nfs/dbraw/zinc/10/86/68/521108668.db2.gz XPQGRMAPHSOHLU-UHFFFAOYSA-N 1 0 353.426 2.757 20 5 FFBDRO CN(CC[NH+]1CCCC1)C(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599330966 521156918 /nfs/dbraw/zinc/15/69/18/521156918.db2.gz MWIBPXCRHWMFCM-UHFFFAOYSA-N 1 0 356.220 2.525 20 5 FFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CC(=O)N(CC)C1 ZINC000593722744 521176242 /nfs/dbraw/zinc/17/62/42/521176242.db2.gz LLDQLMDQUIIIKM-UONOGXRCSA-N 1 0 351.472 2.924 20 5 FFBDRO C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)C1CC[NH+](C)CC1 ZINC000611514153 521196729 /nfs/dbraw/zinc/19/67/29/521196729.db2.gz IXJKCVXMLWHFHM-JTQLQIEISA-N 1 0 357.357 2.656 20 5 FFBDRO Cc1ccc(NC(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cc1[N+](=O)[O-] ZINC000593758633 521197331 /nfs/dbraw/zinc/19/73/31/521197331.db2.gz MVICZSDRPKYDQR-ZQIUZPCESA-N 1 0 362.430 2.653 20 5 FFBDRO CC[N@@H+]1CCN(Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C[C@@H]1C ZINC000611518461 521197794 /nfs/dbraw/zinc/19/77/94/521197794.db2.gz AWWDKOQOWXWAOW-LBPRGKRZSA-N 1 0 373.400 2.773 20 5 FFBDRO Cc1cc(NC(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)ccc1[N+](=O)[O-] ZINC000593762703 521200103 /nfs/dbraw/zinc/20/01/03/521200103.db2.gz CXUPDHJXCBUHMR-GRDNDAEWSA-N 1 0 362.430 2.653 20 5 FFBDRO CN(C(=O)c1c(Br)cccc1[N+](=O)[O-])[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000599442116 521226056 /nfs/dbraw/zinc/22/60/56/521226056.db2.gz QGCODQGTWMDPIP-LLVKDONJSA-N 1 0 368.231 2.666 20 5 FFBDRO CC(C)[NH+]1CCC(C(=O)Nc2ccnn2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000602255366 521240459 /nfs/dbraw/zinc/24/04/59/521240459.db2.gz DCNMGAVYARVNSN-UHFFFAOYSA-N 1 0 357.414 2.839 20 5 FFBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)n1 ZINC000611615884 521250330 /nfs/dbraw/zinc/25/03/30/521250330.db2.gz FKPKWXMMVRTRFO-HZPDHXFCSA-N 1 0 362.474 2.932 20 5 FFBDRO C[C@H]([NH2+][C@H]1[C@@H](C)[C@H](C)O[C@H]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000599626593 521339765 /nfs/dbraw/zinc/33/97/65/521339765.db2.gz SELWJZLVLKWAAY-DMZJWBPISA-N 1 0 355.822 2.977 20 5 FFBDRO [NH3+]C[C@@H](NC(=O)c1c(Br)cccc1[N+](=O)[O-])C1CCCCC1 ZINC000602435101 521343703 /nfs/dbraw/zinc/34/37/03/521343703.db2.gz SYHGDXKXBZBPRR-GFCCVEGCSA-N 1 0 370.247 2.995 20 5 FFBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC(c3ccc4cccnc4n3)CC2)n1 ZINC000594019032 521352334 /nfs/dbraw/zinc/35/23/34/521352334.db2.gz DAQJENHAALOMCI-UHFFFAOYSA-N 1 0 352.398 2.614 20 5 FFBDRO CC[C@@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)[C@H]1CCCCO1 ZINC000594045535 521370180 /nfs/dbraw/zinc/37/01/80/521370180.db2.gz ZGFBHQWZUFWDJV-RHSMWYFYSA-N 1 0 365.430 2.869 20 5 FFBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]CC3(N4CCOCC4)CCCCC3)nc2c1 ZINC000602503843 521383893 /nfs/dbraw/zinc/38/38/93/521383893.db2.gz SMDMCPCFTREGOB-UHFFFAOYSA-N 1 0 374.441 2.861 20 5 FFBDRO Cc1sc(C(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000602538240 521400261 /nfs/dbraw/zinc/40/02/61/521400261.db2.gz BKYKIFIFXGVFFE-RKDXNWHRSA-N 1 0 351.350 2.564 20 5 FFBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2cnccc2C)c([N+](=O)[O-])c1 ZINC000611939530 521400898 /nfs/dbraw/zinc/40/08/98/521400898.db2.gz QNZUTKLTMXITTC-STQMWFEESA-N 1 0 358.398 2.985 20 5 FFBDRO COc1cc(C(=O)N2CCCc3cccc(C[NH3+])c32)cc([N+](=O)[O-])c1C ZINC000602540814 521401924 /nfs/dbraw/zinc/40/19/24/521401924.db2.gz UJSDJPLXOOUEHX-UHFFFAOYSA-N 1 0 355.394 2.964 20 5 FFBDRO [NH3+]C[C@@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC[C@@H]1C(F)(F)F ZINC000602540251 521402228 /nfs/dbraw/zinc/40/22/28/521402228.db2.gz KSWHENNIGUHTJR-OCCSQVGLSA-N 1 0 359.348 2.513 20 5 FFBDRO C[C@@H](Cc1ccc(O)cc1)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602553663 521409852 /nfs/dbraw/zinc/40/98/52/521409852.db2.gz WEELRWYIUZPDEF-AWEZNQCLSA-N 1 0 356.426 2.885 20 5 FFBDRO CC[S@](=O)[C@H]1CCC[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602563702 521413453 /nfs/dbraw/zinc/41/34/53/521413453.db2.gz GVGOMXNJARWEJL-FVLHQSPCSA-N 1 0 351.428 2.905 20 5 FFBDRO C[C@@H]1CCC[C@@H](C)N1CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602568890 521414600 /nfs/dbraw/zinc/41/46/00/521414600.db2.gz ZBVCXFVRPZFUII-HZPDHXFCSA-N 1 0 361.490 2.811 20 5 FFBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@H]2CCN(C3CC3)[C@@H](c3ccccc3)C2)c1 ZINC000602571452 521416900 /nfs/dbraw/zinc/41/69/00/521416900.db2.gz ZWIWXBKNGSYINL-QFBILLFUSA-N 1 0 355.442 2.749 20 5 FFBDRO COC1CCN(CC[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602586470 521424410 /nfs/dbraw/zinc/42/44/10/521424410.db2.gz CFDULNOTSHSUSW-UHFFFAOYSA-N 1 0 361.364 2.814 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@@H]3COc4ccccc43)CC2)cn1 ZINC000602662083 521466689 /nfs/dbraw/zinc/46/66/89/521466689.db2.gz DFEYBZRBBAIZBP-CQSZACIVSA-N 1 0 354.410 2.724 20 5 FFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3CCCN4CCCC[C@H]34)CC2)cn1 ZINC000602708501 521489860 /nfs/dbraw/zinc/48/98/60/521489860.db2.gz HWFLWNSMBLCCSA-ZWKOTPCHSA-N 1 0 359.474 2.565 20 5 FFBDRO C[C@H]1C[C@H](NC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)c2nccn21 ZINC000597090592 521495793 /nfs/dbraw/zinc/49/57/93/521495793.db2.gz OHMXJUWBEDCAMW-XVKPBYJWSA-N 1 0 350.766 2.854 20 5 FFBDRO O=C(Nc1ccc([N+](=O)[O-])c2ccncc12)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000599831485 521499328 /nfs/dbraw/zinc/49/93/28/521499328.db2.gz NCCGPNKRDRFNJJ-CYBMUJFWSA-N 1 0 353.382 2.621 20 5 FFBDRO O=C(Nc1ccc([N+](=O)[O-])c2ccncc12)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000599831486 521499853 /nfs/dbraw/zinc/49/98/53/521499853.db2.gz NCCGPNKRDRFNJJ-ZDUSSCGKSA-N 1 0 353.382 2.621 20 5 FFBDRO COc1cccc(C[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C[C@H]2CCCO2)c1 ZINC000602762954 521518955 /nfs/dbraw/zinc/51/89/55/521518955.db2.gz ICMHJBYCDSRMSF-GOSISDBHSA-N 1 0 374.441 2.790 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H]1Cn1cnc2ccccc21 ZINC000602794604 521535785 /nfs/dbraw/zinc/53/57/85/521535785.db2.gz JJFZJMPRKUXEBX-OAHLLOKOSA-N 1 0 354.414 2.614 20 5 FFBDRO Cn1cc(C[NH2+]C(C)(C)COc2ncccc2C(F)(F)F)c([N+](=O)[O-])n1 ZINC000602801684 521540182 /nfs/dbraw/zinc/54/01/82/521540182.db2.gz LZNLNSMPUWOFJB-UHFFFAOYSA-N 1 0 373.335 2.689 20 5 FFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000602837057 521562504 /nfs/dbraw/zinc/56/25/04/521562504.db2.gz SNMZPVYFJJGXQO-AWEZNQCLSA-N 1 0 372.347 2.832 20 5 FFBDRO O=C1CC[C@H]2C[N@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)CC[C@H]2N1 ZINC000597204844 521572851 /nfs/dbraw/zinc/57/28/51/521572851.db2.gz GGAOTVBBYQQQIC-WMLDXEAASA-N 1 0 355.394 2.955 20 5 FFBDRO O=[N+]([O-])c1ccc(N[C@H]2CCN(c3cc[nH+]c4c(O)cccc34)C2)nc1 ZINC000619486394 521593968 /nfs/dbraw/zinc/59/39/68/521593968.db2.gz PAFHHIQXPKGYAA-LBPRGKRZSA-N 1 0 351.366 2.934 20 5 FFBDRO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)[C@H](CC(N)=O)c1ccccc1 ZINC000619515865 521605066 /nfs/dbraw/zinc/60/50/66/521605066.db2.gz XEOREABVEBVZFC-GOSISDBHSA-N 1 0 357.410 2.912 20 5 FFBDRO Cc1cc(OCC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)ccc1[N+](=O)[O-] ZINC000619537113 521757262 /nfs/dbraw/zinc/75/72/62/521757262.db2.gz VKGVQBQTUPSNBJ-HNAYVOBHSA-N 1 0 373.453 2.757 20 5 FFBDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccnc(NC)c2[N+](=O)[O-])C1 ZINC000517048163 562073316 /nfs/dbraw/zinc/07/33/16/562073316.db2.gz MAYIULCAXDVXHL-CYBMUJFWSA-N 1 0 363.462 2.662 20 5 FFBDRO O=[N+]([O-])c1ccccc1C[N@H+](Cc1ccccc1-c1nn[nH]n1)C1CC1 ZINC000826499924 607524987 /nfs/dbraw/zinc/52/49/87/607524987.db2.gz FAYVRZRVQGEDSE-UHFFFAOYSA-N 1 0 350.382 2.940 20 5 FFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)cc1 ZINC000826498448 608509673 /nfs/dbraw/zinc/50/96/73/608509673.db2.gz VFFURRCBBWQWFM-GOSISDBHSA-N 1 0 364.409 2.985 20 5 FFBDRO C[C@@H]([NH2+]CCCOc1cccc(-c2nn[nH]n2)c1)c1ccccc1[N+](=O)[O-] ZINC000824593952 608563620 /nfs/dbraw/zinc/56/36/20/608563620.db2.gz UWSIIPITXGJPHU-CYBMUJFWSA-N 1 0 368.397 2.895 20 5 FFBDRO